C1=C=c2c(=C1)cc[nH]2	SCHEMBL19831372	103.121	FTCXUHQFFHQIHR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000001
c1cn2c(c1)C=C=C2	PC-id_90202950,SCHEMBL15775337	103.121	MDDIFJPVQLUVRE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000002
[c-]12CC=Cc1ccc2	PC-id_11987056	103.141	KAKBWFWSQBLBQB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000003
C1=Cc2c(C=1)cn[nH]2	SCHEMBL14838989,PC-id_89484490	104.109	CBMLLUKGZFVTQF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000004
c1cc2c([nH]1)C=C=N2	SCHEMBL1999162,PC-id_87322196	104.109	AJSCLPUZVULBDX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000005
c1cn2c(c1)C#CN2	PC-id_90834979	104.109	UHTLNUCLKQDAGX-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-000006
c1cn2c(c1)C=C=N2	SCHEMBL1991671,PC-id_87320910	104.109	LMAUVTFWVDUBSI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000007
c1cn2c(n1)C=C=C2	PC-id_117968513,SCHEMBL16586776	104.109	OCHWSUXKMPOFDI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000008
n12c([CH]C=C1)ccc2	PC-id_11130648	104.129	BQTDUCAQHJVFAX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000009
[B]1c2ccnn2N=N1	PC-id_91074404	104.886	GREIJTMDFAQSLO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000010
C1C=C2C(=N1)C=C[N-]2	PC-id_154021340	105.046	KZSKOIRSQYUIBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000011
c1cn2c(c1)N=C=N2	PC-id_87321154,SCHEMBL1993020	105.097	WBHCCFIOFQVMCE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000012
C1=Cc2c([CH]1)cco2	SCHEMBL13780370	105.114	LIZFKJHANLHZNS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000013
C1C=c2c(=C1)cc[nH]2	PC-id_144001787	105.137	ZEQMELOYMKDBFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000014
C1=Cc2c(C1)cc[nH]2	PC-id_23571381,SCHEMBL1421205	105.137	FRAAHCCCMMITKW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000015
C1=Cc2c(C1)c[nH]c2	SCHEMBL19194514,PC-id_91301203	105.137	ODFQMKWPKRVWOE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000016
C1=Cc2c(C1)[nH]cc2	SCHEMBL14502429,PC-id_20711973	105.137	MBUIYJCJTHOUQU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000017
C1=Cc2n(C1)ccc2	LI_215351,NSC89241,SCHEMBL919821,CHEBI:36673,PC-id_259360,CoCoCo_5403791	105.137	HHONATOJHSQDPZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000018
C1=Cn2c(C1)ccc2	SCHEMBL2192806,CHEBI:36653,PC-id_9548681	105.137	ODMMNALOCMNQJZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000019
C1Cc2c(C1)[cH-]cc2	PC-id_102374392	105.157	HFLQCXIYYXKPGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000020
O1Cc2n(ccc2)[B]1	PC-id_19420508	105.91	HIIJNTAJIIXZLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000021
C1C=C2C=NNC2=C1	PC-id_153892159	106.053	MHNVVTJPEMSGQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000022
C1=Cc2c([N]1)nc[nH]2	SCHEMBL5246089	106.105	QAAMFGGEPCZZJG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000023
C1=Cc2c(C1)cco2	SCHEMBL9413712,PC-id_58099153	106.122	POIDLAZBCUHFMM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000024
C1=Cc2c(C1)coc2	PC-id_68184523,SCHEMBL11977451	106.122	TYUIZZXRQUOBAN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000025
C1=Cc2c(C1)occ2	PC-id_89374433,SCHEMBL14591132	106.122	CSKKWHHKINCNQA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000026
C1=Cc2c(C1)cn[nH]2	PC-id_143228791	106.125	KEDWYRRRVJTXBO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000027
C1C=c2c(=C1)nc[nH]2	PC-id_118403284,SCHEMBL17123399	106.125	MGCUKMYQUSLSRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000028
C1=Cc2c(C1)nc[nH]2	SCHEMBL1421150,PC-id_20255128,SCHEMBL11015060	106.125	ZFJKWGRCVBGSQD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000029
C1=Cc2c(C1)[nH]nc2	SCHEMBL14838993,PC-id_89484493	106.125	JXBXIHZMYBJYEM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000030
C1C=c2c(=N1)cc[nH]2	PC-id_136351100	106.125	PFFPNOLDGBYXSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000031
C1C=c2c(=N1)[nH]cc2	PC-id_141081033	106.125	MLZLJVUPHVXJHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000032
c1cc2c([nH]1)CN=C2	PC-id_55262628,SCHEMBL17104881	106.125	LCHCGDRFRXZNAV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000033
C1=Cc2n(C1)cnc2	PC-id_12275054,SCHEMBL2353335	106.125	CIOLTUZDYHBURU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000034
C1C=Cc2n1ccn2	PC-id_10996979,SCHEMBL1992898	106.125	XEGBWLHLQIJODK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000035
C1C=Cc2n1ncc2	SCHEMBL1992263,PC-id_67240072	106.125	XJMRLTDLZCRIKE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000036
C1C=Cn2c1ccn2	PC-id_23521594,SCHEMBL6100968	106.125	SROOOLKBHHGLSZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000037
C1C=Cn2c1ncc2	PC-id_23521592,SCHEMBL13657134	106.125	NDAQOLZADLJVQA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000038
C1=Cn2c(C1)cnc2	PC-id_20722796,SCHEMBL13657137	106.125	XHICNLSVHGXSOZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000039
c1cn2c(c1)C=NC2	PC-id_21352920,SCHEMBL2030635	106.125	QNPRCRKKCVQFSO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000040
c1cn2c(c1)CN=C2	SCHEMBL2353333,PC-id_21876583	106.125	VFULFGOHTAZLGZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000041
C1=Nc2n(C1)ccc2	SCHEMBL2349876,PC-id_67373894	106.125	IIOKDOJKJGCOEP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000042
N1=Cc2c(C1)c[nH]c2	PC-id_21076249,SCHEMBL17104867	106.125	UQJDVULHFATIGS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000043
O1N[B]c2[nH]ccc12	PC-id_70275348	106.898	KKRVPKKIWSFUNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000044
O1Bn2c(C1)ccc2	SCHEMBL1559531	106.918	CJGWSFGDYPONBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000045
C1C=CC2=C1N=CO2	PC-id_154461366	107.037	QKUDRXJDCNZDSX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000046
B1=NC2=C(O1)CCC2	PC-id_153835981	107.054	YEOQSCHUCNZNKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000047
C1=C[NH2+]C2=C1C=CN2	PC-id_147218897	107.06	CGRCTJNCJNTKKL-UHFFFAOYSA-O	00000011100000000000000010000000000000000000000000000000	25-01-000048
C1=Cc2c(C1)onc2	PC-id_140066067	107.11	IGXUSINGXYBPFB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000049
C1=Nc2c(C1)occ2	PC-id_68443576,SCHEMBL2926273	107.11	VETUJSJMGGNLJZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000050
C1=Cc2c(C1)[nH]nn2	PC-id_58004411,SCHEMBL13567197	107.113	DMTGROGOJSMTEC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000051
c1cc2c([nH]1)N=NC2	PC-id_141393859	107.113	YYZZOZSIBGZMDT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000052
C1=Cc2n(C1)ncn2	PC-id_22630677,SCHEMBL4383453	107.113	PXQRRBCLMCILHE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000053
C1C=Cc2n1cnn2	SCHEMBL2351396,PC-id_22630679	107.113	FLRAOFGILYHUHE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000054
C1C=Cn2c1nnc2	PC-id_139833633	107.113	ZISHVBXXIBZDTE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000055
c1cn2c(c1)CN=N2	PC-id_70133303,SCHEMBL7571542	107.113	FFVBYEUDTRQROQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000056
C1=Cn2c(C1)ncn2	PC-id_139833631	107.113	PIXJSUVJVFQGGJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000057
c1cn2c(c1)N=NC2	SCHEMBL2351399,PC-id_67374447	107.113	LVGSFKNFDSVDLD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000058
C1C=Nc2n1ccn2	PC-id_20061643,SCHEMBL73223	107.113	XDADYJOYIMVXTH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000059
C1C=Nc2n1ncc2	PC-id_67342199,SCHEMBL2270542	107.113	AXYDUUKUHBRRCF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000060
C1C=Nn2c1ncc2	SCHEMBL13657123,PC-id_20722785	107.113	VKLCTEACVARACH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000061
C1=Nc2c(C1)nc[nH]2	PC-id_69110148,SCHEMBL4600569	107.113	GHKNOFMQAXSKOD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000062
C1=Nc2c(C1)[nH]nc2	PC-id_66793181,SCHEMBL767200	107.113	LPBSUKHFKGHNIU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000063
C1N=c2cc[nH]c2=N1	PC-id_136412220	107.113	FVILJSYIWDQXQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000064
C1=Nc2n(C1)cnc2	SCHEMBL3448359,PC-id_68646719	107.113	GSSBWWLPLVLHEF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000065
C1N=Cc2n1ccn2	SCHEMBL3448356,PC-id_68646717	107.113	JBGPNDVDAJFUSC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000066
C1N=Cn2c1ncc2	PC-id_20722788,SCHEMBL13657125	107.113	OOLGWQZKSYVQMX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000067
n12c(C=NC1)cnc2	PC-id_68646502,SCHEMBL3447628	107.113	QTWSYTXTWAPOPS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000068
n12c(CN=C1)cnc2	SCHEMBL3447627,PC-id_23138435	107.113	RCNQFFFUOVMIIK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000069
N1=Cc2c(C1)cn[nH]2	PC-id_118472094,SCHEMBL17205563	107.113	CVYCRPOSSDMFHH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000070
N1=Cc2c(C1)[nH]nc2	PC-id_118469347,SCHEMBL17202472	107.113	XJMQQIMXOUUZNQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000071
C1=[NH+]c2n(C1)ccc2	PC-id_101480641	107.133	IIOKDOJKJGCOEP-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-000072
[n+]12=CCC=c1cc[nH]2	PC-id_58775818	107.133	WKNLTCIAKYHDJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000073
[n+]12n(C=CC1)ccc2	PC-id_12443514	107.133	VJKOPGJBINZJOU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000074
C1Cc2cccn2C1	PC-id_259361,LI_215352,SCHEMBL256064,EMOLS-id_38018,NSC89242,CoCoCo_5403792	107.153	CYXQJHOJIQTXLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000075
C1Cc2cc[nH]c2C1	SCHEMBL2778228,PC-id_19027815,EMOLS-id_89936690	107.153	JRSKVYIIXZCDOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000076
C1Cc2c[nH]cc2C1	SCHEMBL4417881,MCULE-7325740287,EMOLS-id_317444613,PC-id_21942008	107.153	VXKHYOYHHMPFGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000077
C1C2=C(N=CN2)N=N1	PC-id_152753644	108.044	BEHDZBBBZVHDPA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000078
C1=CN2C(=CC=N2)[NH2+]1	PC-id_153973657	108.056	SPMVOOSTCPEXEO-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-000079
O1c2[nH]ncc2N=[C]1	PC-id_57465882	108.078	RJWWLXBACRZPJK-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-000080
o1c2[N]N=Cc2nc1	PC-id_57428767	108.078	UFJVKPMFQOAYLQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000081
C1c2conc2C=N1	PC-id_91804820	108.098	FABOUWMBLYKIFL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000082
C1C=c2c(=N1)ocn2	PC-id_66747530,SCHEMBL622566	108.098	BEHHNJBWRVBPSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000083
C1=Nc2c(C1)nco2	PC-id_68536006,SCHEMBL3167709	108.098	DLUPJOWHABSBGD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000084
C1C=Nc2n1cnn2	SCHEMBL2270796,PC-id_22114381	108.101	ZHNZYIZGWMAHKO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000085
C1C=Nn2c1nnc2	PC-id_22630676,SCHEMBL618744	108.101	UVAJOAOEEDQVDI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000086
C1N=Cc2n1cnn2	PC-id_69459693,SCHEMBL5486082	108.101	DEUKBBFKINRYBA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000087
C1=Nn2c(C1)ncn2	SCHEMBL4384615,PC-id_22630678	108.101	WFEQEAQTHBYUJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000088
C1N=Nc2n1ccn2	SCHEMBL2270798,PC-id_67342271	108.101	WTLGTFZBOJTJBO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000089
C1N=Nc2n1ncc2	SCHEMBL199196,PC-id_66619528	108.101	BRUJXXBWUDEKCK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000090
C1N=Nn2c1ccn2	SCHEMBL6625068,PC-id_17907421	108.101	RKXBPKKBFFTKGW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000091
[n+]12c(CC=N1)[nH]n[c-]2	PC-id_59873302	108.101	KFSCMVUEQINYOH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000092
n12CN=Nc1cnc2	SCHEMBL5486084,PC-id_69459694	108.101	ICZHXYCVOFTUBU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000093
[nH]1c2=NCN=c2nc1	SCHEMBL3450079,PC-id_68647274	108.101	LYWJKUFDFVQLMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000094
[nH]1ncc2=NCN=c12	PC-id_69706447	108.101	HYTUDOCCCMIHEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000095
O1Cn2c(ccc2)[CH]1	PC-id_57435363	108.118	UAXWPNNOMZYMIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000096
C1=Cn2[n+](C1)cnc2	SCHEMBL1649487,PC-id_67108070	108.121	RWUBPOYFDAUWSI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000097
C1Cc2c(C1)cco2	PC-id_12339044,SCHEMBL3227687	108.138	NEPQIEWZESLUFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000098
C1Cc2c(C1)coc2	SCHEMBL4424808,PC-id_19380118	108.138	OXEHYYCSPQJEQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000099
c12CNCc1c[nH]c2	SCHEMBL1393717,MCULE-9877718434,PC-id_18546534	108.141	SMOWGYZRNSCJFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000100
C1Cc2c(C1)cn[nH]2	SCHEMBL400139,PC-id_304265,LI_219057,SPECS-id_AN-153/J111491,CoCoCo_5527941,MCULE-5089992600,STOCK6S-87506,ZINC22_5013003,NSC195334,CoCoCo_5527940,TIMTEC465493,EMOLS-id_33650349,EMOLS-id_7502594	108.141	TUVBJSPUCMUOSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000101
C1Cc2ccnn2C1	MCULE-9797096326,EMOLS-id_44468665,SCHEMBL1027881,ZINC22_64033930,PC-id_11073365	108.141	LQKUERRPRLVSLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000102
C1Cc2c(N1)[nH]cc2	PC-id_58044699,SCHEMBL10152934	108.141	MLXDODQUSGOBPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000103
C1Cc2cncn2C1	PC-id_12275055,MCULE-3289637807,SCHEMBL3933129,EMOLS-id_97369663	108.141	INRNDPUMEATXKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000104
C1Cc2nccn2C1	SCHEMBL712267,ZINC22_38864208,MCULE-3501869016,PC-id_10441661,TIMTEC606285,EMOLS-id_28304649	108.141	ZWETXQBHVRWLPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000105
C1Cc2nc[nH]c2C1	ZINC22_26441246,SPECS-id_AN-153/NB26639,PC-id_12251749,SCHEMBL3892752,EMOLS-id_42782517,MCULE-3046494428	108.141	IIQDERIUJKTLRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000106
C1Cn2c(N1)ccc2	SCHEMBL4299251,PC-id_68992903	108.141	USPOCJTXIBKMHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000107
C1Nc2c(C1)c[nH]c2	SCHEMBL10152929,PC-id_58044790	108.141	TYPNRVHZKGPRTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000108
C1Nc2c(C1)[nH]cc2	PC-id_58550596,SCHEMBL2403120	108.141	XKFBNJFAGSIZAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000109
C1Nn2c(C1)ccc2	PC-id_66806637,SCHEMBL806337	108.141	LOTNTDXLGNXJSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000110
n12c(CNC1)ccc2	PC-id_58044808,SCHEMBL10152921	108.141	BVORLADHHISVMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000111
N1Cc2c(C1)cc[nH]2	SCHEMBL10152924,PC-id_58044749	108.141	DUZWBIQGQGKWJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000112
C1[NH+]=C2C(=N1)C=NN2	PC-id_149253860	109.051	HYTUDOCCCMIHEM-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000113
c1cc2n(n1)CCN2	EMOLS-id_45814302,LI_218674,NSC174124,MCULE-9806834926,SCHEMBL1680162,ZINC22_1555,NSC51143,PC-id_242471,PD075468,CoCoCo_5356299	109.06	KPMVHELZNRNSMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000114
C1=Nn2c(C1)nnn2	PC-id_139833632	109.089	GRVZRVBSIOAYQW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000115
c1nn2c(n1)N=NC2	PC-id_69461961,SCHEMBL5491799	109.089	FQSLYAYRGHPRJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000116
C1N=Nc2n1cnn2	PC-id_69823870,SCHEMBL6560305	109.089	ZHMFDJNXLYHBTP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000117
C1N=Nc2n1nnc2	PC-id_69459479,SCHEMBL5485504	109.089	LWKRGYPZDKWQTO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000118
C1C=C[n+]2c1con2	PC-id_23353142,SCHEMBL8314459	109.106	XDNCZWFHBZZKNH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000119
O1[N]c2c(C1)c[nH]c2	PC-id_57452921	109.106	RVLOWIHOJCWCLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000120
C1c2c(CO1)[nH]cc2	PC-id_135347950,SCHEMBL20523017	109.126	GBVSBNFZVHUJOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000121
C1Cc2c(C1)cno2	PC-id_19027761,SCHEMBL2589239	109.126	KXRDZFPAMHYLJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000122
C1Cc2c(C1)con2	PC-id_14197638,SCHEMBL5644260	109.126	NBWPIRBGYPMYCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000123
C1Cc2c(C1)nco2	SCHEMBL3958346,PC-id_21941989	109.126	WQCDCCSBNXFASP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000124
C1Cc2c(N1)occ2	PC-id_96638024,SCHEMBL18818967	109.126	ANLLCIMCWYJPET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000125
C1Cn2c(O1)ccc2	PC-id_20190406,SCHEMBL5185010	109.126	QJDNWKOTFOHJDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000126
C1Nc2c(C1)coc2	SCHEMBL11977439,PC-id_68184518	109.126	QCQQDSXOSHXSRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000127
C1Nc2c(C1)occ2	SCHEMBL1270591,PC-id_66972027	109.126	RHRQLZZAMYTSSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000128
C1NCc2occc12	SCHEMBL20142997,EMOLS-id_300625198,SPECS-id_AT-556/MD13456,PC-id_77231581,MCULE-6876387119	109.126	MIBXBSBCXVVHSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000129
C1Oc2c(C1)[nH]cc2	PC-id_23532162,SCHEMBL2042598	109.126	ONWKTEUEGDELMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000130
c1occ2c1CNC2	PC-id_55299446,MCULE-1189462800,SCHEMBL3613968	109.126	KNHRJTZFDYHPBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000131
O1Cc2c(C1)c[nH]c2	SCHEMBL3708870,PC-id_53846028	109.126	GMKSSCADOOMELY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000132
O1CCc2c1c[nH]c2	PC-id_23532160	109.126	GCWVIVZURALQHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000133
O1Cn2c(C1)ccc2	PC-id_18442757,SCHEMBL208858	109.126	TZQCKFFLFFLNTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000134
c12NCCn1ccn2	SCHEMBL2392106,EMOLS-id_27514044,EMOLS-id_75986391,PC-id_135813635,CoCoCo_5091199,ZINC22_11920166,MCULE-5044818377	109.129	ISIOZKZXXAFJTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000135
C1c2c([nH]cn2)CN1	MCULE-7401484852,ZINC22_39132594,PC-id_45120616,SCHEMBL17380256,EMOLS-id_49851849	109.129	DHSAAWDYDOKDGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000136
C1c2c([nH]nc2)CN1	PC-id_10943091,EMOLS-id_317713567,EMOLS-id_4365059,SPECS-id_AT-556/MD13457,EMOLS-id_44391232,ZINC22_20441133,CHEMBL4556908,MCULE-6650088937,SCHEMBL823958	109.129	CVRWHBCQJCUBFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000137
C1Cc2c(C1)n[nH]n2	PC-id_143494565	109.129	KOKUTHSBTPFUIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000138
C1Cc2c(N1)n[nH]c2	SCHEMBL4946051,PC-id_136305613	109.129	JVWZSMVAQNUENG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000139
C1Cc2ncnn2C1	PC-id_58125082,SCHEMBL4073344,EMOLS-id_64088612,ZINC22_145718100,MCULE-2603222354	109.129	ZIDGVAHRHJQVST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000140
C1Cc2nncn2C1	ZINC22_42384369,PC-id_51072271,EMOLS-id_30474466,MCULE-3486543415,SCHEMBL348289	109.129	BRXYDRIZVHRXCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000141
C1Cn2c(C1)cnn2	PC-id_58125087,SCHEMBL9962972	109.129	KXXAHALJSAMYLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000142
C1Cn2c(N1)cnc2	SCHEMBL8366941,PC-id_67565783	109.129	YJOKNJFMRIINRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000143
C1CNn2c1ncc2	SCHEMBL1680163,PC-id_57198746	109.129	XOFYNVUJEFJKCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000144
C1Nc2c(C1)[nH]cn2	SCHEMBL3292081,PC-id_68583882	109.129	CWJUNPVADCYYGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000145
C1Nc2c(C1)[nH]nc2	PC-id_67314475,SCHEMBL2199561	109.129	GUOAGGANPURUME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000146
C1Nc2c(N1)cc[nH]2	PC-id_58996086,SCHEMBL14363742	109.129	PVACYVOUYJQOEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000147
C1NCn2nccc12	EMOLS-id_337933518,SCHEMBL21267039	109.129	BVTNFMCZJXYYTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000148
C1Nn2c(N1)ccc2	PC-id_70135480,SCHEMBL7578453	109.129	AXWJDIAEBCENJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000149
n12c(CNC1)cnc2	SCHEMBL9678234,PC-id_67904580	109.129	IHYUFGPXSJZPPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000150
n12CNCc1ncc2	PC-id_68903235,SCHEMBL4077767	109.129	TYOSHAZORFDDMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000151
n12CNNc1ccc2	SCHEMBL7572775,PC-id_70133705	109.129	PYOMVTKGHRMLPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000152
n12NNCc1ccc2	SCHEMBL7571541,PC-id_70133302	109.129	GRLBUKUPZXVICA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000153
N1Nc2c(C1)c[nH]c2	PC-id_118388042,SCHEMBL17104907	109.129	ZQDOBKNIMCKGTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000154
c1cn2[n+](c1)CCC2	PC-id_21043320,ZINC22_74934376,MCULE-1840259802	109.149	VELLXGRFCNDSDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000155
[n+]12CCCc1[nH]cc2	PC-id_51897486	109.149	ZWETXQBHVRWLPW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000156
C1Cc2c(O1)occ2	SCHEMBL14591139,PC-id_89374436	110.111	SATCHVNAJGQFEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000157
C1Oc2c(C1)occ2	SCHEMBL125456,PC-id_66602237	110.111	OWGYKQDISRCBCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000158
O1Cc2c(C1)coc2	PC-id_10942371	110.111	MAMUPVHQKFTFNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000159
c12CNCc1noc2	PC-id_67420384,EMOLS-id_313483703,ZINC22_82411859,SCHEMBL2470150,MCULE-4486296778	110.114	AAKBJLBKEFORKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000160
c12COCc1[nH]nc2	ZINC22_141259762,PC-id_21715587,EMOLS-id_58031521,MCULE-9127933831,SCHEMBL4949056	110.114	FDJLNXFDGZTUNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000161
c12NCCc1cno2	MCULE-1792566481,PC-id_136920818	110.114	UKFJCHAXPAEGCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000162
C1c2c(cc[nH]2)NO1	PC-id_135348018,SCHEMBL20523102	110.114	SCZXHIPNFBFTRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000163
C1c2c([nH]cc2)NO1	SCHEMBL20523030,PC-id_135347960	110.114	XHENYPKEMHVNMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000164
C1Cc2c(C1)non2	SCHEMBL5643880,PC-id_69516699	110.114	HDRNCLNTXCYPJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000165
C1Cc2c(N1)ocn2	PC-id_66747531,SCHEMBL622567	110.114	DIXWRTTYNWXNHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000166
C1Cn2nccc2O1	PC-id_21941444,SCHEMBL3217459,EMOLS-id_323993753,MCULE-9289311103	110.114	BBSSEVYJISPIML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000167
C1COc2n1ccn2	PC-id_23081366,SCHEMBL1258317	110.114	XYWOINJZYYVBQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000168
C1Nc2c(C1)noc2	PC-id_67420901,SCHEMBL2471531	110.114	ADOLCKAOXAOCKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000169
C1Nc2c(C1)ocn2	PC-id_141276996	110.114	SZXZJSLGXBTUJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000170
C1Nc2c(N1)cco2	SCHEMBL8688413,PC-id_58996134	110.114	ZLUYCIRBCPAVGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000171
C1Nc2c(N1)coc2	PC-id_141172874	110.114	CQVYJFROKYOZMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000172
C1Nc2c(O1)[nH]cc2	PC-id_58996121,SCHEMBL14363743	110.114	OFYIUSFJKAOMDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000173
C1Oc2c(C1)[nH]cn2	PC-id_57040555,SCHEMBL2041382	110.114	LYNPJBQORVCWPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000174
C1Oc2c(C1)[nH]nc2	PC-id_67258919,SCHEMBL2044654	110.114	KILDSXLWSDEUQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000175
C1Oc2c(N1)[nH]cc2	PC-id_58996059,SCHEMBL208524	110.114	LHBCQMWKOOGPAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000176
C1OCc2[nH]cnc12	PC-id_45120722,EMOLS-id_176947601,SCHEMBL20522901	110.114	ZMMLPPGOGZIKID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000177
N1Cc2c(C1)cno2	PC-id_68695967,SCHEMBL3569753	110.114	HAZALSHZRRFSQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000178
N1Cc2c(C1)nco2	PC-id_66609526,SCHEMBL160362	110.114	KAMOXEYHBLUWMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000179
N1Oc2c(C1)[nH]cc2	SCHEMBL3594999,PC-id_68706515	110.114	RBECGGZZWSNAHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000180
O1Cn2c(C1)cnc2	PC-id_57143532	110.114	DWADBCFKWCGISO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000181
O1Cn2c(C1)ncc2	SCHEMBL4066242,PC-id_68899035	110.114	XCOBZWMMXDIMMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000182
O1Nc2c(C1)c[nH]c2	SCHEMBL5283743,PC-id_69387244	110.114	JSLSBJAGDNBVCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000183
c12NCCn1ncn2	PC-id_136261376,SCHEMBL4072324,EMOLS-id_50078103,MCULE-3674965061	110.117	JDZTYMWJRXOVCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000184
C1c2cnnn2CN1	PC-id_90830109	110.117	LPXNWVZWKSQWLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000185
C1Cc2nnnn2C1	SCHEMBL2212322,NSC404685,ZINC22_1711793,EMOLS-id_737091,CoCoCo_5449006,TIMTEC246533,NSC122381,LI_221418,MCULE-6122591973,PC-id_275501	110.117	JQVQJNCRSPEZAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000186
C1Cn2cnnc2N1	SCHEMBL2882774,PC-id_136070684,SCHEMBL13330027	110.117	BSIZWMRRMCILTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000187
C1CNc2n[nH]nc12	PC-id_136305612	110.117	HYOFWLREIYYRKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000188
c1c[nH]c2c1NNN2	PC-id_89925741,SCHEMBL15418397	110.117	IJCPSXJQIXVQHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000189
C1Nc2ccnn2N1	SCHEMBL6622792,PC-id_136047600	110.117	YEHLVCBHJMDWFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000190
C1Nc2c(N1)nc[nH]2	PC-id_139783693	110.117	SYGJGCMWDZSJJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000191
C1Nc2nccn2N1	PC-id_136479676,SCHEMBL8034031	110.117	VBXSKPQWYMDYNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000192
C1NNc2ccnn12	PC-id_136019998,SCHEMBL8744997	110.117	NZGBSIYHQPUJJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000193
C1NNc2cncn12	PC-id_91544082	110.117	AOMKTZYUHNOSLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000194
C1NNc2n1ccn2	PC-id_23219328,SCHEMBL8043045	110.117	VSIQHVXEDULLDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000195
C1NNn2c1ccn2	PC-id_69844489,SCHEMBL6625072	110.117	GSTWBJPMFRXHIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000196
n12ncnc1CNC2	PC-id_68900254,SCHEMBL4069654	110.117	SETXYVSKCSDAAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000197
N1Cc2n[nH]nc2C1	PC-id_83864777	110.117	BVEGVLTTXOOVSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000198
C1C[n+]2c(C1)[nH]nc2	PC-id_139244899	110.137	BRXYDRIZVHRXCQ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000199
C1C[n+]2n(C1)cnc2	PC-id_19939943,SCHEMBL9249953	110.137	XXRFGMRIFIOFTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000200
[n+]12[nH]ccc1NCC2	PC-id_69277679	110.137	IWPRAHVYEOOWSW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000201
[NH2+]1Cc2[nH]ncc2C1	PC-id_28949658	110.137	CVRWHBCQJCUBFE-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000202
C1C2=CON=C2CO1	PC-id_154016567	111.032	FZRALQLUPABAEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000203
C1Cc2c(O1)ocn2	SCHEMBL2043706,PC-id_67258704	111.099	XBBNLDKYEIPIDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000204
C1Cc2c(O1)onc2	PC-id_117274708	111.099	CLGWJJIVIIZJSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000205
C1Nc2c(O1)occ2	SCHEMBL14363745,PC-id_58996066	111.099	ZTQBCBBOBKNZGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000206
C1Oc2c(C1)noc2	PC-id_67258795,SCHEMBL2044153	111.099	WTYMFQWCGUPNNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000207
C1Oc2c(N1)occ2	PC-id_58996165,SCHEMBL14363741	111.099	CDIDOALTLSEMDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000208
C1Oc2c(O1)cc[nH]2	PC-id_141407440	111.099	JGVTWKCRXKOWGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000209
C1Oc2c(O1)c[nH]c2	SCHEMBL981783,PC-id_22034820	111.099	UMJJLMWBCBJEBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000210
O1Nc2c(C1)coc2	SCHEMBL12500831,PC-id_68296306	111.099	NFIXULIUUBGQOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000211
c1c2c(c[nH]1)NON2	SCHEMBL20523563,PC-id_135348394	111.102	VZQYGHCDQZNWHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000212
C1c2c(cn[nH]2)NO1	SCHEMBL20523307,PC-id_135348190	111.102	BXCSBGXJEMTYSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000213
C1c2c([nH]nc2)NO1	PC-id_135348411,SCHEMBL20523581	111.102	IWAOAWANCAZLKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000214
C1c2n[nH]nc2CO1	SCHEMBL20523121,PC-id_135348034	111.102	ZTGQQUZJVDFSCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000215
C1Cn2c(O1)ncn2	PC-id_68901489,SCHEMBL4073034	111.102	QDQMPXSIZJQHER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000216
C1CNc2nonc12	PC-id_136305611	111.102	KNDHVOAGHJUGED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000217
c1c[nH]c2c1NON2	SCHEMBL20523255,PC-id_135348147	111.102	ULVUGSJACBKRAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000218
Cc1cc2c([nH]1)BC=C2	SCHEMBL14064242	116.956	KFVZVPUOSMNWGA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000246
C1Nc2c(O1)nc[nH]2	PC-id_89524356,SCHEMBL14893054	111.102	XLOLIKUEBCFLSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000219
N1Nc2c(C1)ocn2	PC-id_140963786	111.102	CHEFJZITMBPQDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000220
O1Cc2c(N1)[nH]cn2	SCHEMBL9164772,PC-id_67786910,SCHEMBL20523161	111.102	FQJBUSGPACHHFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000221
O1Cn2c(C1)ncn2	PC-id_68900204,SCHEMBL4069461	111.102	WTVZLSBXFZJYHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000222
o1nc2CNCc2n1	PC-id_82418990	111.102	ZSBJAKXJRULATQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000223
c12NCCn1nnn2	MCULE-8016078194,CT-id_4021469,NSC53376,CoCoCo_5359189,NSC141014,ZINC22_3590965,PC-id_5356229,4021469_OpenMolecule,EMOLS-id_324001425	111.105	NZZGQYPYGTZUQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000224
C1Nc2c(N1)n[nH]n2	PC-id_139783696	111.105	FZIXMKFUSGXLPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000225
[2H]c1[nH]nc2[n+]1CCC2	PC-id_139244907	111.143	BRXYDRIZVHRXCQ-QYKNYGDISA-O	00000010100000000001000010000000000000000000000000000000	25-01-000226
C1=C2C(=CN1)ONO2	PC-id_164079235	112.027	WWFKFZUXGHYNOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000227
C1c2c(cco2)OO1	SCHEMBL11883932,PC-id_88848303	112.083	SHHMNNAWYTWWMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000228
C1Oc2c(O1)coc2	SCHEMBL982640,PC-id_21117498	112.083	MZUZVRHTPRROKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000229
O1c2c(OC1)occ2	PC-id_57370827	112.083	JDEPTLFZLCZTGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000230
C1Oc2c(N1)ocn2	PC-id_144011712	112.087	NNWWVBANZPILQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000231
C1Oc2c(O1)c[nH]n2	SCHEMBL4947055,PC-id_69251960	112.087	IVUCJUTWYLPLFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000232
C1Oc2c(O1)nc[nH]2	PC-id_22033948,SCHEMBL4630531	112.087	UUPQZHYGYXBUBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000233
c12NONc1[nH]cn2	ZINC22_40174017,MCULE-3414873068,EMOLS-id_31521071,SCHEMBL16878165,PC-id_43839760	112.09	PXHJPXOCVUWFIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000234
C1c2n[nH]nc2NO1	PC-id_135348192,SCHEMBL20523310	112.09	BWEAVYRQUKQQLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000235
C1COc2nnnn12	PC-id_134912640	112.09	ISPHPQBDTNLTRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000236
C1Nc2nonc2N1	PC-id_135729063	112.09	DPDUUEUCQBQHJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000237
[n+]12[nH]nnc1NCC2	PC-id_21678779	112.113	NZZGQYPYGTZUQH-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000238
c1c2c(no1)NON2	SCHEMBL20523157,PC-id_137287845	113.075	GMXMEEVVJPMVBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000239
O1n2nnnc2OC1	PC-id_71372715	114.063	CHMKCFXAXOPALZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000240
[c-]1(C)ccc2=C=CC=c12	PC-id_101383903	115.152	XNVUODHNYLERGP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000241
C[c-]1ccc2=CC=C=c12	PC-id_101383905	115.152	FCXRQVJFOQFQPY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000242
[nH]1c2c(cc1C)[B]C=C2	PC-id_21028267	115.948	UOYFNBRPANAWIA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000243
[nH]1c2c(cc1C)C=C[B]2	PC-id_21028268	115.948	RYYADZHLUXKONS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000244
[B]B1n2cccc2CO1	PC-id_88278622	116.721	ZZSNBJGWOHXATL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000245
Cc1cc2c([nH]1)C=CB2	SCHEMBL14064245	116.956	PZFVLXLAJBDWCJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000247
C=c1c2=CC=Cc2c[nH]1	PC-id_91249511	117.148	JOGCZIWGSSMFJZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000248
C=C1C=c2cc[nH]c2=C1	PC-id_91054673	117.148	ALSHRBKOPRMFQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000249
C=C1C=Cc2c1cc[nH]2	SCHEMBL18620719	117.148	HAWAHYSIANCGNG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000250
C=C1C=Cc2c1[nH]cc2	PC-id_140939804	117.148	XEIIBIDCHSRPFE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000251
[nH]1c2=CC=Cc2cc1=C	PC-id_53736571	117.148	DCDFCFLTXQMDGT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000252
C=C1C2=CC=CC2=CO1	PC-id_153978265	118.042	FHTZZYBBNJLZJD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000253
C=C1C=C2C=COC2=C1	PC-id_153938199	118.042	COBYUFWOEHIEAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000254
[B]C1=CN2CCCC2=N1	PC-id_153601671	118.07	YJJXRKFDMRIEBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000255
C=C1C=Cc2c1cco2	SCHEMBL18873471	118.133	GWSACWNYRZFJEM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000256
C=C1C=Cc2c1occ2	SCHEMBL18873469	118.133	CXGJKVWIDFLXHN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000257
C=c1oc2=CC=Cc2c1	PC-id_141189954	118.133	YTAICXQGMSWENJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000258
C1=CC(=N)c2c1[nH]cc2	PC-id_137095176	118.136	YBDBDDLNJVBGML-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000259
C1=CC(=N)c2c[nH]cc12	PC-id_135736904	118.136	FZQPDRBJHMCJTL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000260
Cn1ccc2c1C=C[CH]2	SCHEMBL13780369	118.156	BKCMPCWDPCOFOO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000261
BB1OCc2n1ccc2	SCHEMBL8317935	118.737	AVOPWXKXYZNLJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000262
[B]C1=C2NCCN2N=C1	PC-id_153609516	119.065	MHKOUMHFWDUUCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000263
C1=CC(=O)n2cccc12	CT-id_7216949,PC-id_12422666,7216949_OpenMolecule,SCHEMBL426650	119.121	WIHNCEDCOWUMEP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000264
O=C1c2n(C=C1)ccc2	PC-id_12863025,SCHEMBL426651	119.121	YEKRZMKXFIQQOM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000265
O=C1c2[nH]ccc2C=C1	PC-id_24976423	119.121	WRGGIZQPSXPJJQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000266
CC1C=c2c(=C1)cc[nH]2	PC-id_144296127	119.164	GFJSSWPVZOMVJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000267
CC1C=Cn2c1ccc2	PC-id_21966758,SCHEMBL3863312	119.164	FVMJNPBLLVKGLM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000268
C=C1CCn2c1ccc2	SCHEMBL10993884,PC-id_20270355	119.164	AJQJUQCQBGTZFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000269
CC1=CCn2c1ccc2	SCHEMBL3863315,PC-id_21766459	119.164	JUYJNLNFBYIZMT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000270
Cc1c[nH]c2c1CC=C2	SCHEMBL17104859,PC-id_23562152	119.164	TVNQSPMSYJREAF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000271
Cn1ccc2c1CC=C2	SCHEMBL16315935,PC-id_117757543	119.164	ZVTLOMRYIYZRFK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000272
Cn1ccc2c1C=CC2	SCHEMBL18873364	119.164	QIURIOKYYHGJET-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000273
C1=CN2C(=CC=N2)C1=O	PC-id_154323899	120.032	HSRBVKWYBNJCCK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000274
C1=CNC2=C1C(=O)C=N2	PC-id_154512038	120.032	UDCFOPPSRNHXAD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000275
C1C=Cc2c1ccn2[O-]	PC-id_163842903	120.045	YFJNOUAXPXJXIE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000276
CC1=C2CN=CC2=CN1	PC-id_153933965	120.069	QUUMRONWQKNDQN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000277
o1c2c(C(=O)C=C2)cc1	PC-id_57092240	120.105	OYQFTSIAUDKBCV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000278
c1c2C=NC(=O)c2c[nH]1	SCHEMBL10512401,PC-id_136456073	120.109	QEALXENBONAEGO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000279
O=C1C=c2c(=C1)cn[nH]2	PC-id_70179650,SCHEMBL7743149	120.109	XDRNXEDJAPGTPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000280
O=C1C=Cc2c1cn[nH]2	PC-id_142056579	120.109	PWKSHIGPCALOMW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000281
O=C1C=Cc2c1[nH]nc2	PC-id_141054194	120.109	YOCAVHQCOKETLP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000282
O=C1C=Cc2cncn12	EMOLS-id_49846112,PC-id_13774094,MCULE-7832384703	120.109	KACVZKWXYYSAIQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000283
O=C1C=Cc2nccn12	EMOLS-id_49846114,MCULE-9362574181,PC-id_10898702	120.109	WZXWIEPSBBNWPL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000284
O=C1n2c(ccc2)C=N1	SCHEMBL1116611,PC-id_18548308	120.109	DYBPHASIZGHLDG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000285
O=C1n2nccc2C=C1	PC-id_13774095	120.109	PBOBBKBQQFLGDJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000286
O=C1N=c2c(=C1)[nH]cc2	SCHEMBL1547601,PC-id_53635453	120.109	ACJSMQZKXAMMRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000287
O=C1N=Cc2c1cc[nH]2	PC-id_69403527,SCHEMBL5320280	120.109	YVVCBOZERLCUAF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000288
O=C1N=Cn2c1ccc2	SCHEMBL7089592,PC-id_54112036	120.109	NHUFNFJKYBRUQB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000289
c1c[nH]c2c1N=NC2=N	PC-id_136368242	120.112	JTDGWKPLCYJNFS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000290
N=C1N=c2c(=C1)[nH]cn2	PC-id_141120776	120.112	DCBPXKUEPACHAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000291
N=C1N=c2c(=N1)cc[nH]2	PC-id_141120791	120.112	XKTQARSELMVYHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000292
Cc1cc2n(n1)[CH]C=N2	SCHEMBL2273481	120.132	HLYZQOISZCPMDH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000293
Cc1c2C=CCc2co1	PC-id_91227445	120.149	FWPFHGLJCKGMDY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000294
CC1=Cc2c(C1)cco2	PC-id_17936842,SCHEMBL6445499	120.149	GLPQAYMMCXZRRM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000295
CC1=Cc2c(C1)coc2	SCHEMBL6444794,PC-id_17936838	120.149	AWLSCTIUWKZPQN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000296
CC1=Cc2c(C1)occ2	SCHEMBL6444424,PC-id_17936834	120.149	YIRACULPZTUNCN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000297
Cc1cc2c(o1)CC=C2	SCHEMBL18200256,PC-id_122665061	120.149	YOAJKLDRXYZBAL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000298
Cc1coc2c1CC=C2	SCHEMBL8337602,PC-id_20767751	120.149	BNXRODQQXCRMOG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000299
C1CC(=N)c2c1c[nH]c2	PC-id_143748675	120.152	TUYBGXIXHPYWMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000300
CC1C=c2c(=C1)cn[nH]2	PC-id_145591231	120.152	DMYYHDVTMDMVGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000301
Cc1cc2=CCN=c2[nH]1	PC-id_70640497,SCHEMBL12029334	120.152	CHPXVXQZLWEFKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000302
C=C1CCc2cncn12	PC-id_134568585,SCHEMBL20218904	120.152	AWPBCVWBSYJHOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000303
C=C1CCn2c1cnc2	PC-id_141352802	120.152	BKZYOWOLQMGRRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000304
CC1=CCn2c1cnc2	PC-id_145337759	120.152	FLIFLAHHZXZAOI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000305
C=C1CCn2c1ncc2	EMOLS-id_114328141	120.152	BOGBUSRHTHGRRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000306
Cc1cn2CC=Cc2n1	PC-id_91106393	120.152	NGZCLNWWVWAGLV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000307
Cc1cnc2n1C=CC2	SCHEMBL13137275,PC-id_59473908	120.152	YARHCSLINNTYRJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000308
Cc1c[nH]c2c1C=NC2	PC-id_143147864	120.152	LBHNJAGKEBSHAY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000309
C=C1CNn2c1ccc2	SCHEMBL18873077	120.152	DYAMURIJEKBTMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000310
Cc1ncc2n1CC=C2	SCHEMBL16812871,PC-id_118155641	120.152	LPJSJFXWEFRTGL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000311
Cc1[nH]c2=CCC=c2n1	SCHEMBL12045407,PC-id_23558742	120.152	UBHHHRPLSSHNNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000312
Cc1[nH]nc2c1CC=C2	SCHEMBL5998917,PC-id_59741286,SCHEMBL14175680	120.152	QDWRYBXFUDXTTD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000313
Cc1n[nH]c2c1C=CC2	SCHEMBL14175678,PC-id_59741292	120.152	FASCGGULJMKZKZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000314
Cc1n[nH]c2=CCC=c12	PC-id_90746335	120.152	WKTWFTXWHOWEMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000315
n12c(CC=C1N)ccc2	PC-id_17860328	120.152	IYCHKLXWMSFOCS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000316
n12c(C(=CC1)N)ccc2	PC-id_53815350,SCHEMBL2219118	120.152	FRXRIVRLOHDKOE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000317
n12c(C(N)C=C1)ccc2	PC-id_21255897,SCHEMBL7903798	120.152	HBKKBRAJQHFHBP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000318
n12c(nc(c1)C)CC=C2	PC-id_59457826	120.152	NKXWVMOCSFJZHL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000319
n12nc(cc1CC=C2)C	PC-id_20707514	120.152	LHHKQWUARDFSEF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000320
[nH]1c2CC=Cc2nc1C	PC-id_23558743	120.152	VUPKYGTWWKMBEM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000321
C1=Cc2c(C=1)ccs2	PC-id_90328964,SCHEMBL15935594	120.172	IULLVUPDDVLENP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000322
C1=Cc2c(C=1)csc2	PC-id_141064211	120.172	NWYDXQAAUQIQTI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000323
CB1Cn2c(C1)ncn2	PC-id_144156392	120.948	RSOGZONHDPSHSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000324
C1=C=CC2=C1N=CS2	PC-id_148245709	120.999	CIIVBAHERBBGLJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000325
C1=NNC2=C1N=CC2=O	PC-id_154395442	121.028	RVBPXXXWSHRHIB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000326
C1=NNC2=C1N=NC2=N	PC-id_150716256	121.039	JOYBGSZOVDYDIN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000327
C1=NNC2=NC(=N)N=C21	PC-id_153913073	121.039	IJFXCBXWNKFIQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000328
C1=CNC2=[N+]=C(C=C21)O	PC-id_164024780	121.04	PADJGEQYJQXRHZ-UHFFFAOYSA-O	00000011100000000000000010000000000000000000000000000000	25-01-000329
C1=CC2=C(C1N)NN=C2	PC-id_149733612	121.064	AZRQSTFEDMIBGP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000330
CN1C=C2C=NCC2=N1	PC-id_152755713	121.064	MTNYPQMDEOVNKC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000331
c1c2C=NC(=O)n2cn1	PC-id_91307599	121.097	WWLCZVWKMDGPMT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000332
c1c[nH]c2c1C(=O)N=N2	PC-id_136161714,SCHEMBL7847706	121.097	XRILZXACQIMBCK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000333
c1c[nH]c2=NC(=O)N=c12	SCHEMBL1062398,SCHEMBL11303901,PC-id_136409753	121.097	JFOCEBKIPCVSGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000334
O=C1c2n(N=C1)ccn2	PC-id_20426800,SCHEMBL10633000	121.097	ALXLFPMRNZZKKR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000335
O=C1C=Nc2n1ncc2	PC-id_141219277	121.097	HOIUHHGZLQMFKY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000336
O=C1n2c(N=N1)ccc2	SCHEMBL19583777,PC-id_54533776	121.097	YYJLVTFZAAVTNU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000337
O=C1n2nccc2C=N1	PC-id_76474046	121.097	NTCITVOSQUZRSB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000338
O=C1N=Cc2c1cn[nH]2	PC-id_141268263	121.097	HFRSSNZYPCKXNP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000339
O=C1N=Cc2c1nc[nH]2	SCHEMBL5752165,PC-id_69554016	121.097	JMANDTMQKYELHN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000340
c1nc2=NC(=N)N=c2[nH]1	SCHEMBL4062710,PC-id_136372984	121.1	PRPPGHYYTDOQOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000341
c1n[nH]c2c1C(=N)N=N2	PC-id_137212643	121.1	JXBOQQCTNOZGHM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000342
Oc1cc2c([nH]1)C=C[N]2	SCHEMBL6028997	121.117	TZIALJZFYKHODO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000343
O=C1C=C[n+]2n1ccc2	SCHEMBL19745185	121.117	ODJIPTZVFQHOMG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000344
C1c2cccn2C=C1O	PC-id_91012235	121.137	NMDPIPQSILKPEZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000345
C1CC(=O)n2cccc12	7216950_OpenMolecule,PC-id_12370211,CT-id_7216950	121.137	AWNSYAVJUVBPTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000346
CC1C=c2c(=N1)occ2	PC-id_144960223	121.137	NKGZAANRQCBPHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000347
C=C1CCc2c1ocn2	SCHEMBL10196368,PC-id_68061432	121.137	FOUSCFHXFLXSIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000348
[nH]1ccc2CC(=O)Cc12	SCHEMBL18013284,PC-id_12034892,EMOLS-id_32277645,ZINC22_49582198,MCULE-6737209084	121.137	VDDBFIHHHZORFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000349
O=C1c2c(c[nH]c2)CC1	ZINC22_2548010,MCULE-7142016383,EMOLS-id_43617946,PC-id_45092493,SCHEMBL16547823	121.137	QJPNSFLVUNNYLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000350
OC1c2n(C=C1)ccc2	PC-id_67323077,SCHEMBL2223382	121.137	LNJVHMRBQHJIEZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000351
O=C1c2n(ccc2)CC1	CT-id_2227176,EMOLS-id_830777,CoCoCo_3956240,PC-id_97347,SCHEMBL8829557,ZINC22_1706477,TIMTEC52116,MCULE-1316152803,NSC116800,LI_216457	121.137	JXGLKOLYBRHCBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000352
O=C1Cc2c(C1)c[nH]c2	PC-id_122485855,SCHEMBL18013300	121.137	QORXOFMHLRIEJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000353
O=C1Cc2cccn2C1	EMOLS-id_46015779,PC-id_13211052,ZINC22_39073501,MCULE-2170204532	121.137	KQGYZHCCNMWIRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000354
O=C1CCc2c1[nH]cc2	PC-id_15807568,SCHEMBL18013299	121.137	DCEFFSMKXPNLKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000355
OC1=CCc2n1ccc2	PC-id_142710968	121.137	KUZOSQCWHSHJQH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000356
Oc1ccc2n1C=CC2	PC-id_67323075,SCHEMBL2223380	121.137	KVWVDHJWWYDYDX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000357
O=C1CCc2[nH]ccc12	PC-id_20723562	121.137	WFZDLRGXYFNKOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000358
C1C=Cn2n1ccc2=N	PC-id_69991167,SCHEMBL7108071	121.14	LREMCCJXPPEZOE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000359
C1C(=N)c2c(N1)[nH]cc2	PC-id_136377494	121.14	YELFAALYUSBRCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000360
Cc1cc2n(n1)CC=N2	PC-id_67343225,SCHEMBL2273266	121.14	DWPUIZGAIQPOJN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000361
CC1=CCn2c1cnn2	PC-id_12356912,MCULE-1473618861,ZINC22_39094860,EMOLS-id_49268856	121.14	IRGFXQHXUZTXMH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000362
C=C1Cn2c(C1)ncn2	PC-id_102404258	121.14	ZPXCRKNCDSNMPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000363
CC1=Nc2n(C1)ccn2	PC-id_141425363	121.14	OZDDAZGHDZCQEA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000364
CC1=Nc2n(C1)ncc2	SCHEMBL2273486,PC-id_67343317	121.14	PRDJVODZXSNOGM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000365
Cc1nc2=NCC=c2[nH]1	PC-id_59701340,SCHEMBL13710703	121.14	DVADQKQXBDULBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000366
Cc1nnc2n1C=CC2	PC-id_20722811,SCHEMBL7753487	121.14	MXAPNHLXMFCEGN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000367
Cc1nnc2n1CC=C2	SCHEMBL13185709,PC-id_89033284	121.14	MCKLAQGUDFKTDI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000368
Nc1ccc2n1CC=N2	PC-id_141132794	121.14	OAAQKOXWXXJZOJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000369
Nc1ccn2c1N=CC2	PC-id_141134873	121.14	VUTFPRBTLBOMMN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000370
Nc1c[nH]c2=NCC=c12	PC-id_141134812	121.14	WVVORELRTTUSNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000371
[nH]1c2=NCC(=c2cc1)N	SCHEMBL5173222,PC-id_69341077	121.14	LSJIGRKQUNHVIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000372
c1cc2c([nH]1)C#CS2	SCHEMBL17038658,PC-id_118335264	121.16	ZPFWHNKITJALTA-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-000373
[CH2]c1cn2c(n1)CCC2	PC-id_140576525	121.16	RNHOBESVBXTAMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000374
n12C[N+](=Cc1ccc2)C	PC-id_23380188	121.16	BAMPUBZSXQMMJW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000375
[n+]12n(C=CC1C)ccc2	PC-id_72484667	121.16	WXOKSZZHBUYXMU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000376
[n+]12n(C=C[C@@H]1C)ccc2	PC-id_58995862	121.16	WXOKSZZHBUYXMU-ZETCQYMHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000377
C1=Cc2c([CH]1)ccs2	SCHEMBL13780365	121.18	GHEBRVZVJBJYEK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000378
CC1Cc2c(C1)cc[nH]2	PC-id_141214818	121.18	NETWSDFTHYRSGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000379
CC1CCc2c1cc[nH]2	SCHEMBL8314595,PC-id_20767748	121.18	SYOBGSYLELRTOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000380
CC1CCc2c1[nH]cc2	SCHEMBL14025938,PC-id_89225758	121.18	YFRUMRQUROUIGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000381
CC1CCc2cccn12	PC-id_15584418,EMOLS-id_38016	121.18	YTYKQXRZMZCGBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000382
CC1CCn2c1ccc2	SCHEMBL10998380,PC-id_20270356	121.18	VLOURZVHWKHBKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000383
Cc1ccn2c1CCC2	SCHEMBL16800381	121.18	IZUWRTJNSXGPMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000384
Cc1[nH]c2c(c1)CCC2	SCHEMBL12844664,PC-id_11819082	121.18	FPTVEBZXBUYUOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000385
C[C@@H]1CCc2n1ccc2	PC-id_68033013,SCHEMBL10092844	121.18	YTYKQXRZMZCGBX-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000386
Cn1cc2c(c1)CCC2	PC-id_89169725,SCHEMBL15290383	121.18	YIYHFKLWTKAWFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000387
Cn1ccc2c1CCC2	PC-id_15141504,SCHEMBL13326543	121.18	HWLONZNXZKASKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000388
n12CCCc1ccc2C	PC-id_11513742	121.18	SSUANKSPZQHRRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000389
n12CC(Cc1ccc2)C	PC-id_13172988	121.18	UTYAJBHHXIDWQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000390
n12CCCc1cc(c2)C	PC-id_15720822	121.18	XJDAWZFJNKQUHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000391
[nH]1c2c(CCC2)c(c1)C	PC-id_15778450	121.18	FLSUUBAQYWDGGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000392
[nH]1c(c2CCCc2c1)C	PC-id_45092491	121.18	AKFFMWPASGGNQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000393
C1=C2C(=NC1=N)N=NO2	PC-id_153774655	122.023	OWPXEPPZZWGZIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000394
C1=C2C(=NC1=O)N=NN2	PC-id_153774654	122.023	BJNJZQOUJHNKNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000395
C1C=C(C2=CN=CN21)O	PC-id_152901505	122.048	ROQKRUJPXDGEGY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000396
C1C=NC2=C(C=CN21)O	PC-id_154243613	122.048	LDBWTLCADFEUGZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000397
CC1=NC2=C(O1)C=NC2	PC-id_153940507	122.048	CLROUAYJDLCAII-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000398
C1C(=NC2=CC=NN21)N	PC-id_153782529	122.059	GILXDILMTWIZGZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000399
C1CC2=CC(=NN2C1)[NH-]	PC-id_154432185	122.072	JMAQWYINFFATOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000400
O=C1N=c2c(=N1)cco2	PC-id_138757301	122.082	GTGFQIIMFYFNFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000401
C1CC2=C(C1)NC(=C2)N	PC-id_164070985	122.084	WPDYAQLAFYMGKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000402
CC1=C2CNCN2C=C1	PC-id_155001111	122.084	NPXDTQFZPVZZIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000403
CC1CC2=C(C1)NN=C2	PC-id_153384100	122.084	FONFADMPCDFFKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000404
C[C@H]1CCC2=NC=CN12	PC-id_164899746	122.084	IGEVNRLTASXRCS-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-000405
C[C@@H]1CCN2C1=NC=C2	PC-id_153001425	122.084	UYFVSZXUJZCCMS-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000406
c1nc2=NC(=O)N=c2[nH]1	SCHEMBL13801955,PC-id_136333159,SCHEMBL5229119	122.085	RFAARRHQGCQSDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000407
c1n[nH]c2c1N=NC2=O	PC-id_137211632	122.085	RKKFTRUGTWCDAV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000408
O=C1C=Nc2n1ncn2	PC-id_141326009	122.085	CKLVBPFZBHNYJQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000409
c12=NC(=N)N=c1nn[nH]2	SCHEMBL12480056,PC-id_136477801	122.088	ZREQAONZBOJWGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000410
c12n[nH]nc1N=NC2=N	PC-id_136450478	122.088	HIBAZYLFCDDBOA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000411
Oc1noc2c1C=C[CH]2	SCHEMBL5258597	122.101	QPWISWPCGFHQOM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000412
Oc1nc2c([nH]1)[N]C=C2	SCHEMBL6028457	122.105	UCTHCHAJRUSNEY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000413
Cc1cc2n(n1)[N]N=N2	SCHEMBL2271759	122.108	NFRNWKKMQFPFJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000414
c12cocc1CC(=O)C2	MCULE-3530312519,PC-id_12755553	122.121	SBBQSWMLNYBWSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000415
o1c2CCC(=O)c2cc1	PC-id_23009840	122.121	ATMXRPRQNCMLSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000416
o1c2c(CC(=O)C2)cc1	PC-id_82418943	122.121	SYONQXKAGGDZHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000417
o1cc2CCC(=O)c2c1	PC-id_54412484	122.121	VVCIQZOMHCJXAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000418
o1ccc2CCC(=O)c12	MCULE-4061478258,EMOLS-id_317465015,PC-id_83904789,SCHEMBL15844709	122.121	OKFKMPDLRMGGTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000419
c12ccnn1CCC2=O	MCULE-2415726793,SCHEMBL15473978,PC-id_15356618,EMOLS-id_192854319	122.125	CYFAKPWBCXWXDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000420
c12cn[nH]c1CCC2=O	PC-id_10192567,EMOLS-id_31521155,ZINC22_38701049,SCHEMBL5944129,MCULE-9219454613	122.125	FBAMWFMIJZIVKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000421
C1C=Cc2c[nH]c(=O)n12	PC-id_89783938,SCHEMBL15231172	122.125	YYNHBGQGVHHYHC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000422
C1C=Cn2n1ccc2=O	SCHEMBL33890,PC-id_18441969	122.125	VZVQZEWVRSRUJJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000423
C1CC(=O)c2c1nc[nH]2	EMOLS-id_96348954,SCHEMBL5793769,EMOLS-id_96730132,PC-id_55300269	122.125	NGEJHJXVSLSYSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000424
C1Nc2c(C1=O)cc[nH]2	PC-id_96637940	122.125	LBFBQDFEAXVMKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000425
C1Nc2c(C1=O)c[nH]c2	PC-id_96637937	122.125	MWDVAZMJJJAZQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000426
C1N=Cc2c(ccn12)O	PC-id_136500865	122.125	KDMSNUFZZJAYOJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000427
C1NC(=O)c2c1[nH]cc2	PC-id_69403530,SCHEMBL5320283	122.125	JYRGTESFRPQNFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000428
n1cc2CCC(=O)c2[nH]1	PC-id_83872183,MCULE-2420163433,EMOLS-id_320437033	122.125	MACRZXBUTPTUQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000429
OC1c2n(C=C1)ccn2	SCHEMBL11971177,PC-id_68181999	122.125	LWYLHJYVDLBITE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000430
O=C1c2n(ccn2)CC1	SCHEMBL11971142,EMOLS-id_56970612,MCULE-8713883988,ZINC22_34160431,PC-id_13809814	122.125	JXQCJYNMPFHDED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000431
O=C1c2n(cnc2)CC1	ZINC22_38325703,SCHEMBL947045,PC-id_11170960,MCULE-7838196785,EMOLS-id_43338262	122.125	ARGGKVFNNQUZPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000432
O=C1c2[nH]ccc2NC1	PC-id_82418942	122.125	SUELEXDQIQVJPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000433
O=C1Cc2c(C1)c[nH]n2	PC-id_70179651,SCHEMBL7743151	122.125	NPEGDFYBUIJXGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000434
O=C1Cc2ccnn2C1	EMOLS-id_317492741,MCULE-4783279364	122.125	ASHUPEMVUMUEFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000435
O=C1Cc2c(N1)[nH]cc2	SCHEMBL18013297,PC-id_122485853	122.125	RGWAUTQSAMXLSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000436
O=C1Cc2nccn2C1	MCULE-3048842645,PC-id_140976954,EMOLS-id_330783756	122.125	WWFFYPULSVLMSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000437
O=c1ccn2n1CC=C2	PC-id_141118519	122.125	LICPBTFTWZUUST-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000438
OC1C=Nc2n1ccc2	PC-id_141510019	122.125	IUDYQTDOVZIKFK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000439
O=C1Nc2c(C1)[nH]cc2	SCHEMBL2835722,PC-id_57098542	122.125	OPYRETPBRCRXQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000440
O=C1Nc2n(C1)ccc2	PC-id_45087127	122.125	XGQSFBWDCHPCOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000441
O=C1NCc2c1c[nH]c2	PC-id_45092490	122.125	PXCVCKFUFZSGAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000442
O=C1NCc2c1[nH]cc2	PC-id_82418941	122.125	JSECHBDNJGLARA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000443
O=C1NCc2cccn12	SCHEMBL15231171,PC-id_83680178,MCULE-3199327321,EMOLS-id_176930776	122.125	XTYMYZJHPHOJAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000444
O=C1NCn2c1ccc2	SCHEMBL8170596,PC-id_59191719	122.125	XNTQZMWTPZTWPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000445
Oc1[nH]nc2c1C=CC2	SCHEMBL20550981,SCHEMBL18770498	122.125	BDYBUUVUCOOHCE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000446
O=C1Nn2c(C1)ccc2	PC-id_141442678	122.125	NZCJRGNBUFHMSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000447
Cc1cnc2n1CN=N2	PC-id_67342623,SCHEMBL2271766	122.128	HNDUVGFKKPIXQE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000448
CC1C=Nc2n1cnn2	SCHEMBL2271755,PC-id_22114378	122.128	VKEQUILJTYQJRK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000449
Cc1nnc2n1CC=N2	PC-id_89147832,SCHEMBL13686451	122.128	CSXLCDNIPCXIOM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000450
CC1N=Nc2n1ncc2	SCHEMBL2270740,PC-id_67342258	122.128	MFYSCJLRTMFZEV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000451
n12CC=Nc1c(nc2)N	PC-id_69470311,SCHEMBL5511154	122.128	LABLXYMNUQUOHF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000452
n12c(ncc1)C(=NC2)N	SCHEMBL5511150,PC-id_69470309	122.128	DKGUQOPUSJLOPM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000453
n12c(nc(N)c1)CN=C2	PC-id_13144652	122.128	QORKUDNWXBVIJS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000454
n12ncc(N)c1N=CC2	PC-id_67342680,SCHEMBL2271912	122.128	MMGIRCGAFDFAFM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000455
n12nc(N)cc1N=CC2	PC-id_67342313,SCHEMBL2270918	122.128	OUUKLRVUDXCTPF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000456
n12nnnc1C(=CC2)C	PC-id_15257544	122.128	BWBGTCHRXFJPBI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000457
n12nnnc1C=C(C2)C	PC-id_57347211	122.128	UWHQTLNTJZBEMM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000458
N1NC(=C)c2[nH]cnc12	PC-id_57027939	122.128	FYCUZYISZAMVGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000459
Nc1ccc2n1CN=N2	PC-id_141134876	122.128	JLCIPYUSASPSSI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000460
Nc1ccn2c1N=NC2	PC-id_141134869	122.128	MFBMQADWODAIEI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000461
Nc1ncc2n1CC=N2	PC-id_143168753	122.128	BRXFSDHQJDCKEG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000462
[CH2]c1nn2c(n1)CCC2	PC-id_140576514	122.148	LLRHTCALIHPVRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000463
Cc1coc2c1CCC2	SCHEMBL13021597,PC-id_12409165	122.164	GUJPVGMFGIWCPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000464
Cc1occ2c1CCC2	PC-id_59572853,SCHEMBL13021603	122.164	WBQRQSPQXQGGMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000465
o1c2CCCc2cc1C	PC-id_20632740	122.164	CZCXKYCBXVYKHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000466
c12C(C)CCc1n[nH]c2	MCULE-7964957880,EMOLS-id_331004841	122.168	LPAGUALULKVREN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000467
C1CCc2[nH]nc(C)c12	MCULE-7494645404,SCHEMBL9947019,ZINC22_38887753,EMOLS-id_48600352,PC-id_12204862	122.168	IXNQBWLXUUVFBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000468
CC1Cc2ccnn2C1	MCULE-8748743311,SCHEMBL18338645,EMOLS-id_195883191	122.168	LRDQMNHYYHKGTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000469
CC1Cc2c(N1)cc[nH]2	PC-id_91589480	122.168	MKMGGCVQQGRUGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000470
CC1CCc2c1nc[nH]2	PC-id_68100118,SCHEMBL10297729	122.168	BHPLTLQZCFAGKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000471
CC1CCc2c1[nH]nc2	PC-id_141119468	122.168	HSSMKEJSPKHAFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000472
CC1CCc2ccnn12	PC-id_90206137,SCHEMBL15779865	122.168	YQOZXUJPWYHDDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000473
CC1CCc2n1ccn2	PC-id_57807798,SCHEMBL13755325	122.168	IGEVNRLTASXRCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000474
CC1CCc2n1cnc2	PC-id_145129275	122.168	MZJMMTDTUNSYLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000475
CC1CCn2c1ccn2	PC-id_141430583	122.168	GAKMFDQMXBRNEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000476
CC1CCn2c1cnc2	PC-id_89276813	122.168	LPYFEUWVKCLTRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000477
CC1CCn2c1ncc2	PC-id_90228626,SCHEMBL15807962	122.168	UYFVSZXUJZCCMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000478
CC1Cn2c(C1)cnc2	PC-id_141800491	122.168	VBWWZNLXGYTGEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000479
CC1Cn2c(C1)ncc2	PC-id_59936375,SCHEMBL17151193	122.168	UGWUZYRCMSJHIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000480
Cc1cn2c(n1)CCC2	SCHEMBL7916624,CoCoCo_5900519,PC-id_44789186	122.168	FFEUHXDQNGETPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000481
Cc1cnc2n1CCC2	PC-id_12261056,SCHEMBL8335933	122.168	YZSXAXLYUMCLIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000482
Cc1cnn2c1CCC2	SCHEMBL13684190,PC-id_58720041	122.168	WMSKOWZPCQZGBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000483
CC1NCc2c1cc[nH]2	PC-id_144089924	122.168	TYZPKLPGIAHQNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000484
Cc1ncc2n1CCC2	PC-id_59655032,SCHEMBL10281379	122.168	AIYXBHXHQFHLJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000485
Cc1ncn2c1CCC2	SCHEMBL19497557	122.168	MZUCDXXFPGRBMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000486
Cc1[nH]c2c(n1)CCC2	SCHEMBL2756447,PC-id_23558744	122.168	FZTAHPMAKYDRNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000487
Cc1nn2c(c1)CCC2	PC-id_68444442,SCHEMBL2928676	122.168	FLWMZUZXOCURSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000488
C[C@@H]1CCc2c1[nH]nc2	PC-id_143252407	122.168	HSSMKEJSPKHAFP-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000489
C[C@@H]1CCn2c1cnc2	SCHEMBL14218860	122.168	LPYFEUWVKCLTRV-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000490
C[C@H]1Cn2c(C1)ncc2	PC-id_122625843,SCHEMBL18155274	122.168	UGWUZYRCMSJHIJ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000491
CN1Cc2c(C1)cc[nH]2	SCHEMBL17104851,PC-id_54431563	122.168	WHVKRCYZRWZLAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000492
CN1Cc2c(C1)c[nH]c2	PC-id_118203534,SCHEMBL16870040	122.168	MBDISOPCFMSZGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000493
CN1CCc2c1cc[nH]2	SCHEMBL18818972	122.168	ROPLCKZUKUQEHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000494
Cn1ccc2c1CNC2	PC-id_69152289,SCHEMBL4701951	122.168	ZIDQSHMXONXRDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000495
Cn1cnc2c1CCC2	SCHEMBL13326541,PC-id_19964642	122.168	BLUUHKFIOWPMKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000496
Cn1nc2c(c1)CCC2	SCHEMBL8001513,PC-id_20798656	122.168	UMXPHYRPFNMSBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000497
Cn1ncc2c1CCC2	PC-id_13576584,SCHEMBL8335825	122.168	CLEUKPVOJUTSTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000498
n12CCC(N)c1ccc2	PC-id_45092503,EMOLS-id_81821646	122.168	YRIQDCAIJWNJJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000499
N1Cc2c(C1)cn(c2)C	PC-id_82418937	122.168	PTAGIYHRRJLBEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000500
N1Cc2c(C1)c[nH]c2C	PC-id_82593588	122.168	LJSMGPONFNFVMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000501
N1Cc2[nH]c(cc2C1)C	PC-id_82418938	122.168	QKNRINHNALCENE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000502
NC1CCc2c[nH]cc12	EMOLS-id_323997600,PC-id_83904790	122.168	YYXYITIAFZNBQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000503
N[C@@H]1CCc2c[nH]cc12	EMOLS-id_323993761	122.168	YYXYITIAFZNBQK-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000504
N[C@H]1CCc2c[nH]cc12	EMOLS-id_323994017	122.168	YYXYITIAFZNBQK-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000505
C1C=c2c(=C1)ccs2	SCHEMBL1099120,PC-id_59798811	122.188	UVUKIQWFFOQWAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000506
C1=Cc2c(C1)ccs2	SCHEMBL14433346,PC-id_12702665	122.188	BLDJJTPGMSJNJF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000507
C1=Cc2c(C1)csc2	PC-id_23270735,SCHEMBL11977444	122.188	NMJVNMCAIHLCAQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000508
C1=Cc2c(C1)scc2	PC-id_12702664,SCHEMBL1097858	122.188	YVYXGCYTKXZPQV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000509
C1C=C2C(=N1)C=CS2	PC-id_153935681	123.014	LGGGPCHORJMTOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000510
C1CC(=O)C2=C1OC=N2	PC-id_162341878,MCULE-7572877389,EMOLS-id_330793734	123.032	WFLUXOYHXHIXSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000511
C1C2=C(NC1=O)NN=C2	PC-id_147343602,EMOLS-id_324142339	123.043	DDZMDGGOAURKNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000512
C1C=C(C2=NC=NN21)O	PC-id_154235700	123.043	QMFGCRTYUFWNHT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000513
C1NC(=O)C2=NC=CN21	PC-id_153931628	123.043	PTHUUJRKYVISCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000514
C1N=NC2=C(C=NN21)N	PC-id_153915309	123.054	VZNPRFSEIGARHS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000515
CC1=C2COCC2=CN1	PC-id_163794744	123.068	MZULVPFQXMCXKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000516
CC1=CC2=C(N1)CCO2	PC-id_163641118	123.068	IEIFTTMWKZFWCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000517
O=C1n2ncnc2N=N1	PC-id_77116029	123.073	BIBMODYERZVHCA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000518
O=C1N=c2c(=N1)nn[nH]2	PC-id_141088954	123.073	RCJDAMRQIOAXOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000519
O=C1N=Nc2n[nH]nc12	PC-id_70403480	123.073	ORDGOIGLFPTYOO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000520
C[C@@H]1C2=C(CN1)C=NN2	PC-id_162342946,MCULE-1320654574,EMOLS-id_320409868	123.08	IYRAGBNMFOYFFQ-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000521
C[C@H]1C2=C(CN1)C=NN2	PC-id_162342947,EMOLS-id_320410124,MCULE-5767020914	123.08	IYRAGBNMFOYFFQ-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000522
C1C=Cc2c1c(=O)[nH]o2	PC-id_91266661	123.109	YNLKSHSVADMASR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000523
C1C=Cc2coc(=O)n12	SCHEMBL14893139,PC-id_89524419	123.109	GGLSBNUBYSTNKR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000524
C1Nc2c(C1=O)cco2	PC-id_96637935	123.109	BPTJSEQWKKYKOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000525
C1Nc2c(C1=O)coc2	PC-id_96637933	123.109	UPKBKBTWAPQAJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000526
C1NC(=O)c2c1occ2	PC-id_55298926,SCHEMBL4766258,EMOLS-id_96134191	123.109	YGCWQYOIPFWXLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000527
C1OC(=O)c2c1c[nH]c2	SCHEMBL18013301,PC-id_55298983	123.109	CXYROVAVELJDLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000528
C=C1Oc2c(O1)c[nH]c2	PC-id_141071734	123.109	ZSCDZNJRLGYKLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000529
o1c2c(CNC2=O)cc1	PC-id_82418935	123.109	AEMUVGQCOBMIPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000530
O1c2c([nH]cc2)CC1=O	PC-id_18424361,SCHEMBL7685049	123.109	REEGXCMGTCFQNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000531
O1c2c([nH]cc2)C(=O)C1	PC-id_53630805,SCHEMBL3543103	123.109	MLIWHQBNOFPJKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000532
o1cc2CNC(=O)c2c1	PC-id_82593589	123.109	NMPREGDWGBZVEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000533
O1Cc2n(ccc2)C1=O	SCHEMBL14893138,PC-id_57488181	123.109	YPWUAOWRKPSOLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000534
O1Cn2c(ccc2)C1=O	PC-id_66930744,SCHEMBL1171086	123.109	DHQXGVFOLPWNGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000535
o1cnc2CCC(=O)c12	PC-id_138958422,EMOLS-id_320436009,MCULE-2465988332	123.109	FEPOLJUCTUVLNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000536
o1nc2c(CCC2=O)c1	PC-id_83872184	123.109	XUXIMGSRTBOTHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000537
o1ncc2c1CCC2=O	PC-id_21859142	123.109	QPMLLBVSJWURSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000538
o1ncc2CCC(=O)c12	PC-id_83872185	123.109	SPQDNNCEDKJCAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000539
o1[nH]c(=O)c2c1CC=C2	PC-id_68431919,SCHEMBL2896101	123.109	SIBFFZUQMOJJOI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000540
O=C1Cn2c(O1)ccc2	PC-id_122485839,SCHEMBL18013280	123.109	OHXZPGYDNCCMKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000541
O=C1CNc2c1occ2	PC-id_96637934	123.109	XEJUOMKXJYVKKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000542
O=C1OCc2c1[nH]cc2	PC-id_138977965	123.109	KAUSNXYZCRYCKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000543
c12C(=O)CCn1cnn2	MCULE-8331658467,EMOLS-id_49181708,ZINC22_96509899,PC-id_97617261	123.113	FYUVEPVDBKFMDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000544
C1c2cncn2C(=O)N1	PC-id_90961112	123.113	JAIVLPKIELPUOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000545
C1c2c([nH]cc2N=N1)O	PC-id_136364933	123.113	HLPGCDKRZLZSGW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000546
C1c2c[nH]c(c2N=N1)O	PC-id_136406051	123.113	ALZPXEAWVQLVFM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000547
C1C=Nc2n1[nH]c(=O)c2	PC-id_139665268	123.113	FPRVRXAAFAWTIH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000548
C1C(=O)Nc2ccnn12	PC-id_136469010	123.113	QKMDUUBCPICPBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000549
C1C(=O)Nc2n1ccn2	SCHEMBL5024271,PC-id_69283238	123.113	WMNDBKWCRUAJIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000550
C1NC(=O)c2c1nc[nH]2	SCHEMBL5752172,PC-id_69554019,SCHEMBL15141956	123.113	LVWMIVRLEIPRIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000551
C1NC(=O)c2c1[nH]nc2	SCHEMBL2188845,EMOLS-id_313728627,EMOLS-id_107097874,SCHEMBL17669977,PC-id_67310711	123.113	XDBMXYMJZKDLEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000552
o1c2CN=Nc2nc1C	PC-id_23392098	123.113	CSKIVIDAHJKYSA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000553
O=C1c2c(c[nH]n2)CN1	MCULE-9211309262,SCHEMBL2171128,PC-id_23355440,EMOLS-id_324136706	123.113	LYIPETYYHFBBIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000554
O=C1CCc2n[nH]nc12	PC-id_83872186	123.113	PXGJUORKLLSAOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000555
O=C1n2c(ncc2)CN1	EMOLS-id_42819568,PC-id_82418928,MCULE-8618988523,ZINC22_72206919	123.113	LQLJMQISJPLSON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000556
O=C1Nc2c(C1)[nH]cn2	PC-id_66809861,SCHEMBL821625	123.113	LOROIKRUMJLRJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000557
O=C1Nc2c(C1)[nH]nc2	PC-id_20784735,SCHEMBL13373460	123.113	PCHVEBIHYNZHNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000558
O=C1Nc2n(C1)cnc2	PC-id_10313131	123.113	CZMUBNRCANYQET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000559
n12N=C(N)Cc1nnc2	PC-id_11789200	123.116	QSNGVFBUBZRKBE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000560
O=C1CC[n+]2c1c[nH]c2	PC-id_23242859	123.133	ARGGKVFNNQUZPX-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000561
c12CC(Cc1coc2)N	MCULE-3856159169,PC-id_121207476,EMOLS-id_70105775	123.152	KOWGEQDAGPZRFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000562
C1Cc2c(C1)n(cc2)O	SCHEMBL20631152,PC-id_137399517	123.152	GZEFOVOWJXDWBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000563
C1Cc2ccc(n2C1)O	PC-id_90705997	123.152	ONYLKCZLZRQONG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000564
C1Cc2c(ccn2C1)O	PC-id_91112116	123.152	KXBFGIGRXOMRDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000565
Cc1c2CCCc2no1	SCHEMBL13687339,PC-id_89148015	123.152	PAZFABYEQLCHON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000566
CC1Cc2c(C1)nco2	SCHEMBL12765078,PC-id_58206923	123.152	ZRPFWHNTIWMEOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000567
Cc1coc2CNCc12	MCULE-5698084174,EMOLS-id_208098437	123.152	JUGJWDYEOPGRAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000568
Cc1[nH]cc2c1OCC2	PC-id_144904696	123.152	TVSUEAICBMTDCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000569
Cc1noc2c1CCC2	PC-id_20632745,SCHEMBL13185711	123.152	QTIIJMPYIQXYKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000570
CN1Cc2c(C1)cco2	SCHEMBL13677140,PC-id_23397452	123.152	OCHGFNRMNPYMDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000571
CN1Cc2c(C1)coc2	PC-id_68396557,SCHEMBL12836064	123.152	LJAUHMVMXNHVKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000572
Cn1cc2c(c1)COC2	SCHEMBL15856675,PC-id_90266804	123.152	BHIDZPNXRDWKFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000573
CN1CCc2c1cco2	SCHEMBL18818966	123.152	HSNJZQHEIDHJBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000574
NC1CCc2ccoc12	EMOLS-id_323999916,PC-id_83904791	123.152	VTQWEYOYNSBYMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000575
Nc1oc2c(c1)CCC2	PC-id_98774530	123.152	FWAFCUNGQOMYET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000576
o1c2CCCc2c(N)c1	PC-id_82418923	123.152	VTBGRYMSFZLQTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000577
o1c2CCCc2nc1C	PC-id_20662588	123.152	DDNCXBMNNOHPNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000578
o1c2CCC(N)c2cc1	PC-id_23009841	123.152	CDJADTXZQRVTDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000579
o1c2c(CNC2)cc1C	PC-id_82418924	123.152	LHQVXSVKGIVJJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000580
o1c(c2c(CNC2)c1)C	PC-id_82593593	123.152	KRTZXXZBJDGFMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000581
o1cc2C(N)CCc2c1	PC-id_83904792	123.152	RMYJQEXCRJTLTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000582
o1ncc2CCC(c12)C	PC-id_20732320	123.152	WEBGDHOHFPMFGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000583
OC1CCc2c[nH]cc12	EMOLS-id_323995808	123.152	OKRMYMPVLHHXEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000584
OC1CCn2c1ccc2	PC-id_146447	123.152	GJPIBIKCYIRYTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000585
O[C@H]1CCc2c[nH]cc12	EMOLS-id_323996064	123.152	OKRMYMPVLHHXEY-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000586
O[C@@H]1CCc2c[nH]cc12	EMOLS-id_323996320	123.152	OKRMYMPVLHHXEY-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000587
s1c2O[C]=Cc2cc1	PC-id_57465879	123.152	JVRUIFZGNPABQE-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-000588
c12CCCc1n[nH]c2N	PC-id_22712059,EMOLS-id_300473187,ZINC22_95481706,EMOLS-id_43481684,SCHEMBL11697122,SCHEMBL6543199,MCULE-7251094167	123.156	OLPAMBOLEVAJJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000589
c12c(CN(C)C1)cn[nH]2	SCHEMBL10280069,EMOLS-id_50368288,PC-id_18343529,ZINC22_168094642,MCULE-5218481483	123.156	YKOOTMZPXIYQED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000590
c12ccnn1CCN2C	PC-id_15077735,MCULE-8455147113,SCHEMBL9020671,EMOLS-id_317867504	123.156	ICIQSDWDLPOHOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000591
c12CNCc1cnn2C	PC-id_10878060,SCHEMBL1444493,ZINC22_20445708,EMOLS-id_4365063,MCULE-7788013748	123.156	ZPRTZMMXOLTYSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000592
c12C(N)CCc1[nH]nc2	PC-id_66489591,EMOLS-id_50074168,MCULE-6650821601	123.156	DQHZMXHDEXKPFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000593
c12cn[nH]c1CC(N)C2	EMOLS-id_50380033,MCULE-8664135276,PC-id_75355636	123.156	QBBYXKCJUJJMED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000594
c12NCCc1cnn2C	MCULE-6221655977,PC-id_136920815	123.156	ZYZMPGUPWAODAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000595
C1Cc2ccnn2C1N	SCHEMBL15528409,PC-id_90010697	123.156	UADYYQJLLYQNIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000596
c1cc2[N]N=Cc2s1	EMOLS-id_317656039	123.156	NAMCLVWILIEHNQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000597
C1=[N+]=c2c(=N1)scc2	PC-id_57493740,SCHEMBL6784906	123.156	DBEDZFXNGASNCO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000598
Cc1c2CCNc2n[nH]1	PC-id_136305609	123.156	RMPSRSDJKYZPLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000599
Cc1c2CNCc2[nH]n1	PC-id_91148564,SCHEMBL17162823,MCULE-6253194841,EMOLS-id_302069025,SCHEMBL1705256,ZINC22_20441128,EMOLS-id_300738920	123.156	BRIYFUKTRQTBLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000600
Cc1cc2NCCn2n1	EMOLS-id_315263638,SCHEMBL798855,MCULE-2989109026,ZINC22_84236305,PC-id_136164150	123.156	ZPBDVKXZYOMZLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000601
CC1CCc2c1n[nH]n2	PC-id_141742255	123.156	QOKXVFGEMNZIIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000602
CC1CCc2n1cnn2	SCHEMBL21152199,PC-id_139307408	123.156	DXMYZMIALZZPCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000603
CC1CCc2ncnn12	PC-id_88973823	123.156	ZFQCSCCOMUOIAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000604
CC1CCn2c1ncn2	SCHEMBL16629747,PC-id_118003360	123.156	ACEZLZHVYAJRQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000605
CC1Cn2c(C1)ncn2	SCHEMBL11355926,PC-id_70570354	123.156	GDAOZWYLMAGCDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000606
CC1Cn2c(C1)nnc2	PC-id_141800488	123.156	IBZHGYNINNQPTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000607
CC1Cn2c(ccn2)N1	PC-id_137216297	123.156	NGQGEKGPLKSCRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000608
Cc1cn2CCNc2n1	PC-id_136209496,SCHEMBL20153300	123.156	NYXBAKOUWKGHEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000609
CC1CNc2ccnn12	PC-id_136920814	123.156	ZDMVXKAAFJRDIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000610
Cc1cnc2n1CCN2	PC-id_136209528	123.156	HHTUCDQZVUAPJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000611
Cc1cnc2n1NCC2	SCHEMBL16826118,PC-id_118165506	123.156	NSSGAKBIRYDTRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000612
Cc1cnn2CCNc12	EMOLS-id_96232821,PC-id_135966103,SCHEMBL9020642,MCULE-6619555355	123.156	PAFNLJSBZLAFCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000613
Cc1nc2CNCc2[nH]1	EMOLS-id_44824427,ZINC22_82411593,SCHEMBL2190670,PC-id_55255936,MCULE-8686401859	123.156	VIPJPNIEHGEJOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000614
CC1NCc2cn[nH]c12	PC-id_134714772,EMOLS-id_316173664,MCULE-1771070908	123.156	IYRAGBNMFOYFFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000615
Cc1nn2c(n1)CCC2	PC-id_59299768,SCHEMBL10236227	123.156	UGVMDONOLRWHDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000616
Cc1nnc2CCCn12	EMOLS-id_81810097,MCULE-1882946045,SCHEMBL1706504,PC-id_45087183	123.156	SFWHQGREGPPQRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000617
Cc1nnn2c1CCC2	SCHEMBL21152172,PC-id_139307382	123.156	KYIKCQNXRPVKSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000618
C[C@@H]1CCc2n1ncn2	SCHEMBL12877507	123.156	ZFQCSCCOMUOIAP-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000619
C[C@@H]1CCn2c1nnc2	SCHEMBL13749951,PC-id_57802970	123.156	WPPADMHQUSIAHD-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000620
C[C@H]1NCc2[nH]ncc12	EMOLS-id_337430748	123.156	ZWEIAXFIPQCBRA-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000621
C[C@@H]1NCc2[nH]ncc12	EMOLS-id_337431004	123.156	ZWEIAXFIPQCBRA-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000622
CN1Cc2c(C1)nc[nH]2	SCHEMBL16152037,PC-id_54262321	123.156	REJDIUBVSXEEOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000623
Cn1cc2c(n1)CNC2	ZINC22_39094562,SCHEMBL2373038,PC-id_15908772,EMOLS-id_43215430,MCULE-3786574201	123.156	FTGAGZCMKGIHMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000624
CN1CCc2n1ccn2	SCHEMBL9020678,PC-id_67750204	123.156	LDYZYMZYQDLXRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000625
CN1CCn2c1ncc2	SCHEMBL21155479,PC-id_12397485	123.156	PGEAJKDCEWVSKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000626
Cn1cnc2c1CCN2	PC-id_96637919	123.156	NKFHHVMQOWDWDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000627
Cn1nc2c(n1)CCC2	SCHEMBL19624145	123.156	YHLSGCBAQJWCIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000628
Cn1nnc2c1CCC2	SCHEMBL19038311	123.156	GIRURFBNQNJNGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000629
n12CC(Cc1cnc2)N	MCULE-7584914709,PC-id_82418919,EMOLS-id_302090441	123.156	RFASMAIQFQCMIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000630
n12CCC(c1nnc2)C	PC-id_76614912	123.156	WPPADMHQUSIAHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000631
n1c2CCCc2[nH]c1N	EMOLS-id_50077562,MCULE-8530877354,PC-id_39101052	123.156	UIGCVNXVDVSUTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000632
n1c2C[C@H](N)Cn2cc1	SCHEMBL11947782,PC-id_59504831,EMOLS-id_301188965,ZINC22_82411608,MCULE-6623233713	123.156	MQFKXEBZRMCXCH-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000633
N1c2c(n[nH]c2C)CC1	PC-id_83478648	123.156	XLBDFIZQLMLBOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000634
N1C(c2c([nH]nc2)C1)C	PC-id_83872188	123.156	ZWEIAXFIPQCBRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000635
N1Cc2n(cnc2C1)C	PC-id_82418913	123.156	RBUWUIIKUUSVJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000636
N1CCc2n(ncc12)C	PC-id_82418921	123.156	KYWFYBMYIZFFCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000637
n1c(N)cc2CCCn12	PC-id_67537062,MCULE-8135965572,ZINC22_85344547,EMOLS-id_96488568,SCHEMBL2792866	123.156	FOGLHKKHHCEEAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000638
NC1c2n(ccn2)CC1	MCULE-8303296145,EMOLS-id_56971654,SCHEMBL17145125,CHEMBL4517591,PC-id_45087161	123.156	RNQMYFYTUSXCRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000639
NC1c2n(cnc2)CC1	PC-id_21608158,EMOLS-id_49847427,MCULE-2565041628,CHEMBL4556695	123.156	XABPGCSJFAIKRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000640
NC1c2n(ncc2)CC1	MCULE-7327034440,PC-id_84647806	123.156	KILLIIJGKKPELM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000641
NC1Cc2nccn2C1	PC-id_67356067,EMOLS-id_301189221,MCULE-1237909091	123.156	MQFKXEBZRMCXCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000642
NC1Cc2n(ncc2)C1	MCULE-6418232490	123.156	RTAJEUHJELUTLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000643
Nc1cn2c(n1)CCC2	PC-id_96637923,SCHEMBL18418902	123.156	PLQCCDXTLIWSLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000644
Nc1cnc2CCCn12	ZINC22_106716559,PC-id_98760204,MCULE-8810990025,EMOLS-id_177876147	123.156	OWZUESWAMPZZOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000645
Nc1cnn2CCCc12	EMOLS-id_89944588,PC-id_82593594,MCULE-3521339091,SCHEMBL16469651	123.156	VSBLPTQRXZLUDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000646
Nc1n2c(CCC2)cn1	EMOLS-id_50501136,CHEMBL4564625,SCHEMBL12559673,PC-id_55284251,MCULE-3478361296,ZINC22_82835749	123.156	MOFUHNVZOPMOHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000647
Nc1[nH]c2c(c1)CNC2	PC-id_98774529	123.156	KDZXAMMUGANONA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000648
N[C@H]1Cc2cncn2C1	PC-id_96637930,EMOLS-id_337369121	123.156	RFASMAIQFQCMIV-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000649
N[C@@H]1Cc2c[nH]nc2C1	ZINC22_82411606,PC-id_96637927	123.156	QBBYXKCJUJJMED-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000650
N[C@H]1Cc2c[nH]nc2C1	ZINC22_82411607,PC-id_96637928	123.156	QBBYXKCJUJJMED-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000651
N[C@@H]1Cc2nccn2C1	MCULE-4718975364,PC-id_59504843,ZINC22_82411609,SCHEMBL11947781,EMOLS-id_303202577	123.156	MQFKXEBZRMCXCH-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000652
N[C@@H]1CCn2c1cnc2	PC-id_93499350	123.156	XABPGCSJFAIKRZ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000653
N[C@@H]1CCn2ccnc12	PC-id_93499356,ZINC22_39073678	123.156	RNQMYFYTUSXCRX-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000654
N[C@H]1CCn2ccnc12	ZINC22_39073679,PC-id_93499357	123.156	RNQMYFYTUSXCRX-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000655
N[C@H]1CCn2cncc12	EMOLS-id_337200425,PC-id_93499349	123.156	XABPGCSJFAIKRZ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000656
N[C@H]1Cn2c(C1)cnc2	PC-id_96637929	123.156	RFASMAIQFQCMIV-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000657
[nH]1c2CCC(N)c2nc1	PC-id_82593596	123.156	QMKFPPLWFIYKKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000658
[nH]1ncc2CCC(N)c12	PC-id_82418918	123.156	GYFMCBBMLSPETQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000659
Nn1cnc2c1CCC2	PC-id_96637924	123.156	NXWZTJHFARQXCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000660
Nn1nc2c(c1)CCC2	PC-id_145062764	123.156	VXDXNTAVNAIYAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000661
S1c2n(ncc2)C=[C]1	PC-id_60207761	123.156	FCVHXSFLQCCKOX-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-000662
C1c2c(ccs2)C=N1	PC-id_90126657,SCHEMBL15679515	123.176	GPVNQXDTAAFKEL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000663
C1=Cc2c(C1)ncs2	SCHEMBL9050034,PC-id_67759230	123.176	DGSGISXCMTZRSX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000664
C1=Cc2c(C1)scn2	SCHEMBL15935565,PC-id_60075979	123.176	ZSOFQMQPGUONGW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000665
c1cc2c(s1)C=NC2	SCHEMBL15935593,PC-id_13547870	123.176	FDQPDKCJIRJYBF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000666
C1C=Nc2cscc12	PC-id_91591868	123.176	PUSGPOJWNQIACA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000667
C1=Nc2c(C1)ccs2	SCHEMBL6657093,PC-id_53680411	123.176	RCYFJIOOFDGFIY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000668
C1=Nc2c(C1)scc2	SCHEMBL2925217,PC-id_68443148	123.176	LSNDIENEXFCDQH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000669
CC1Cn2ccc[n+]2C1	SCHEMBL16093155,PC-id_90455330	123.176	YNZVUQLPPLJQOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000670
Cc1c[n+]2n(c1)CCC2	PC-id_68247511,SCHEMBL12332717	123.176	QOKDQVAJZSHVIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000671
Cc1c[nH]c2[n+]1CCC2	PC-id_90008472	123.176	YZSXAXLYUMCLIX-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000672
C[n+]1c[nH]c2c1CCC2	PC-id_59731741,SCHEMBL12420707	123.176	BLUUHKFIOWPMKS-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000673
[n+]12CCCc1[nH]c(c2)C	PC-id_33778445	123.176	FFEUHXDQNGETPU-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000674
n12c([n+](cc1)C)CCC2	PC-id_10490876	123.176	MPNIMQQQZFEUFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000675
N1=Cc2c(C1)csc2	PC-id_13999339,SCHEMBL9187565	123.176	STSDGCGPDSYAON-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-000676
C1C(=O)C2=COC=C2O1	PC-id_148547085	124.016	MTRHLKDXSKEHAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000677
C1=C[NH2+]C2=C1C=CS2	PC-id_148581220	124.022	MYTYHLDSYLKPSF-UHFFFAOYSA-O	00000011100000000000000010000000000000000000000000000000	25-01-000678
C1C2=C(CO1)NC(=C2)N	PC-id_163732038	124.064	LAKHPIARQPIJKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000679
C1C(CC2=C1C=NN2)O	PC-id_154729260	124.064	GANCUSBAVRCBKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000680
CC1C2=C(CN1)ON=C2	EMOLS-id_337768489,PC-id_162361628	124.064	PJWDUYXGCRPUMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000681
CC1CN2C(=CC=N2)O1	EMOLS-id_337122811,PC-id_151625990,MCULE-6456378334	124.064	QPMZKBMASBCPLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000682
CC1=NC2=C(N1)COC2	PC-id_155160402	124.064	PJFHFXUCANJEOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000683
C1CC2=C(C1)N(N=N2)N	MCULE-3247970532,PC-id_154727130,EMOLS-id_208147399	124.075	LFJXBQWTGUBETJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000684
C1Cc2c(nnn2C1)N	PC-id_164182216,MCULE-1223898393,EMOLS-id_331005449	124.075	LNLLFKJWEVLHIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000685
C1c2cocc2C(=O)O1	PC-id_91201531,SCHEMBL18983195	124.094	CHPJOFXVNPTXRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000686
O1c2c(CC1=O)coc2	SCHEMBL3956059,PC-id_68853753	124.094	GHRGQEVILDAUTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000687
O1c2c(occ2)CC1=O	PC-id_70499527,SCHEMBL11034555	124.094	BBMXYUMUEYABBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000688
c12n[nH]cc1COC2=O	PC-id_15525654,EMOLS-id_195304171,SCHEMBL18013289,MCULE-4819790109,ZINC22_196156121	124.097	PHNPUYVDCUKBCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000689
C1C(=O)Oc2n1ccn2	PC-id_122485842,SCHEMBL18013283	124.097	SZBTYDSUSZBIKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000690
C1OC(=O)c2c1nc[nH]2	PC-id_69867106,SCHEMBL6689752	124.097	BGTXHIYVQCVEBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000691
C1OC(=O)n2c1ncc2	PC-id_122485854,SCHEMBL18013298	124.097	QPTGRVVEPIKEME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000692
o1nc2CCC(=O)c2n1	PC-id_82418910	124.097	POZBKBOGGBBPHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000693
o1ncc2c1CNC2=O	PC-id_82418906	124.097	IOHADIBWKYNCCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000694
o1ncc2NC(=O)Cc12	PC-id_83478654	124.097	DGVPJEHCSWGZNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000695
C1C(=O)Nc2n1cnn2	SCHEMBL20719687,PC-id_137478174	124.101	ZGOFCABZBMTHMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000696
C1NC(=O)c2c1n[nH]n2	PC-id_67355032,SCHEMBL2300040	124.101	ZPKXSZLBZDFVMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000697
CC1N=c2c(=N1)nno2	SCHEMBL19682169	124.101	PTPBEWNFJFJGOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000698
O=C1CCn2c1nnn2	PC-id_117273247	124.101	VBVJMDVJULWESY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000699
O=C1n2nnnc2CC1	PC-id_82647659	124.101	DTVYJFVXOQGDFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000700
n12nnc(N)c1N=NC2	SCHEMBL5507101,PC-id_69468502	124.104	IHHLCJOKNZNBCQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000701
c12CC(Cc1coc2)O	PC-id_121207475,MCULE-3686321810	124.137	TVLSIAAITDKFSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000702
c12CCCc1n[nH]c2O	ZINC22_270745,EMOLS-id_1175154,CoCoCo_585986,ChEMBL-DNDi_CHEMBL5102332,SCHEMBL18770543,CoCoCo_585987,PC-id_778682,EMOLS-id_33495315,SCHEMBL20631156,EMOLS-id_33582283,TIMTEC441337,CoCoCo_585988,CoCoCo_5460732,MCULE-5981540982,STOCK6S-15979,CoCoCo_5460731	124.141	SACPALZHGDYLNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000703
c12CCCc1noc2N	CoCoCo_4895604,SCHEMBL5929498,EMOLS-id_6448823,PC-id_4737027,MCULE-9203392466,ZINC22_6855320,CHEMBL369077	124.141	WGCKCMXHIWUORN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000704
c12CCCc1onc2N	PC-id_82418897,EMOLS-id_207622482,MCULE-1596877864	124.141	BKKWYIVRJOKHJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000705
c12CC(Cn1ccn2)O	PC-id_67356950,SCHEMBL2305403,EMOLS-id_301196897,MCULE-2281820345	124.141	OLXNUSXUUWAEGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000706
c12[C@H](O)CCn1ccn2	ZINC22_34160420,MCULE-7591889877,EMOLS-id_316764463,MCULE-4074576431,SCHEMBL19220304,CT-id_4103529	124.141	ZNTOIYUPLXOHAS-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000707
c12COCc1n[nH]c2C	MCULE-7288377835,PC-id_90844235,EMOLS-id_317872885,SCHEMBL16453435,SCHEMBL14175682	124.141	OPJYWRUKXPYGKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000708
c12C(O)CCc1[nH]nc2	MCULE-7733233160,PC-id_66489241,EMOLS-id_50074082	124.141	TVEXASYSIRFPRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000709
c12C(O)CCn1ccn2	EMOLS-id_44479676,SCHEMBL9201196,MCULE-7122720944,PC-id_91927615,MCULE-7386181446	124.141	ZNTOIYUPLXOHAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000710
C1Cc2c(C1)n(nc2)O	PC-id_137399496,SCHEMBL20631130	124.141	FYPCRZVZVXFDGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000711
c1n2CCC(O)c2cn1	MCULE-7346901785,EMOLS-id_317664912,PC-id_138958420	124.141	JKOAIPJSWAGKEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000712
Cc1c2CCNc2no1	PC-id_137218960	124.141	RBAIXUWLQLHKHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000713
Cc1cc2OCCn2n1	PC-id_640409,SCHEMBL14930413,EMOLS-id_178506582,MCULE-7372343210	124.141	ZTAFFLUHWCFQAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000714
CC1CCc2c1non2	SCHEMBL18407828	124.141	XBIPBZCQSZWIPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000715
CC1Cn2c(O1)ncc2	PC-id_141088106	124.141	SRXBKUQXZFDFBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000716
Cc1cnn2c1OCC2	SCHEMBL18418886	124.141	NCVWYTXJZFRCEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000717
CC1COc2ccnn12	EMOLS-id_337124859,MCULE-4152283584	124.141	ONJIWWVPQFNCLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000718
Cc1nc2CNCc2o1	ZINC22_38540541,SCHEMBL3623845,PC-id_45480268,EMOLS-id_44690153,MCULE-4720942527	124.141	IRZLXFBTKJAMFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000719
Cc1nc2c(o1)NCC2	SCHEMBL14930324,PC-id_89552757	124.141	ZOWQEPLNAHRSDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000720
C[C@@H]1Cn2nccc2O1	ZINC22_2088617645	124.141	QPMZKBMASBCPLJ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000721
C[C@H]1Cn2nccc2O1	ZINC22_2088617646	124.141	QPMZKBMASBCPLJ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000722
C[C@@H]1COc2ccnn12	ZINC22_2088617637	124.141	ONJIWWVPQFNCLV-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000723
C[C@H]1COc2ccnn12	ZINC22_2088617638	124.141	ONJIWWVPQFNCLV-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000724
Cn1c2c(COC2)cn1	SCHEMBL20673860,PC-id_137437042	124.141	FBOOOEMJOAHNQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000725
CN1Cc2c(C1)con2	PC-id_89584430,SCHEMBL14971169	124.141	HIAUUEMCKYOGEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000726
CN1Cc2c(C1)nco2	PC-id_54376673,SCHEMBL15006492	124.141	UWZOUMDJDBPBTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000727
n1cc2CCC(O)c2[nH]1	EMOLS-id_320435241,MCULE-7461798044,PC-id_138958419	124.141	OWPWNIHCPBZPCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000728
n1ccc2C(O)CCn12	PC-id_138958421,EMOLS-id_320434730,MCULE-4029403170	124.141	RXDOPTLDUWWYHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000729
NC1c2ncoc2CC1	MCULE-6954586394,PC-id_83872192	124.141	SWISNBBDJBGVFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000730
NC1c2ocnc2CC1	MCULE-4181838604,PC-id_83872191	124.141	WIIBKDQPWUUHQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000731
N=c1[nH]c2c(o1)CCC2	SCHEMBL4427679,PC-id_55252887	124.141	JDPJNKPKRVJTMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000732
Nc1oc2c(c1)CNC2	PC-id_98774528	124.141	FNNJFMODYANRDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000733
O1CCc2c1n[nH]c2C	PC-id_82593599	124.141	BGBBNTFDWJEYBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000734
o1nc2c(CNC2)c1C	PC-id_83845343	124.141	BXRNGVWABJIESA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000735
o1nc2c(C(NC2)C)c1	PC-id_82650979	124.141	YRICTJROSXLXEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000736
o1nc2C(N)CCc2c1	PC-id_83872193	124.141	YIOSOBQTYWSAHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000737
o1ncc2CCC(N)c12	PC-id_82418900	124.141	MGIXGJLZGBVXJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000738
o1ncc2CC(N)Cc12	PC-id_82418901	124.141	QDNSOAWYHQXWCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000739
o1nc(c2CNCc12)C	PC-id_82418896	124.141	PFRUBLHLWUJTOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000740
o1ncc2C(N)CCc12	PC-id_82418902	124.141	MKHCNFWJUBMDMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000741
o1nc(c2NCCc12)C	PC-id_83478656	124.141	MHEIIAKGCGKZNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000742
O=c1cc2CCCn2[nH]1	SCHEMBL16825412,EMOLS-id_324186941,PC-id_118164923	124.141	GLQKDRCOQJDVTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000743
OC1Cc2ccnn2C1	MCULE-5916474123,EMOLS-id_317495808	124.141	KSWBVWATUIYOAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000744
OC1CCc2n1cnc2	PC-id_145116121	124.141	DAIRYXFPFGNKPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000745
O=c1ccn2n1CCC2	PC-id_21992177,SCHEMBL4205065	124.141	STKARFFXWORTNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000746
OC1Cn2c(C1)cnc2	PC-id_118989225	124.141	QWEGOPYZQHRFDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000747
Oc1cnc2n1CCC2	PC-id_145711563	124.141	ICXSFMAKVZBRBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000748
Oc1ncn2c1CCC2	PC-id_145116139	124.141	GXKJKXSDCVFZTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000749
O=c1[nH]c2CCCc2[nH]1	PC-id_17750113	124.141	KAGJDWXSWVELHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000750
O[C@@H]1c2n(ccn2)CC1	ZINC22_34160422,MCULE-7074382761,EMOLS-id_317780334,PC-id_92977143	124.141	ZNTOIYUPLXOHAS-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000751
O[C@@H]1Cc2nccn2C1	PC-id_11116051,MCULE-8349300289,ZINC22_38265142,SCHEMBL3106647,EMOLS-id_49836584	124.141	OLXNUSXUUWAEGE-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000752
O[C@H]1Cc2nccn2C1	ZINC22_118599397,EMOLS-id_76747527,MCULE-8982346160,PC-id_59504856,SCHEMBL2306075	124.141	OLXNUSXUUWAEGE-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000753
O[C@H]1CCn2cncc12	EMOLS-id_337743771,PC-id_141332209	124.141	JKOAIPJSWAGKEX-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-000754
c12C(N)CCn1cnn2	PC-id_102548701,EMOLS-id_49181706,MCULE-8761914108	124.144	JGAKZSQDTVJNBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000755
c12NCCn1ncc2N	PC-id_135800726,SCHEMBL3658626,MCULE-1186866694,EMOLS-id_53841281	124.144	LIPVMYUESMIFGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000756
c12NCCn1nc(N)c2	PC-id_136364509,SCHEMBL171938,MCULE-7687545225,EMOLS-id_320439831	124.144	IZUAXZLVJIHWIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000757
C1c2c(CN1N)[nH]nc2	PC-id_89348409,SCHEMBL14476660	124.144	SNXCWDOMIORRTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000758
C1C(n2c(ccn2)N1)N	PC-id_135795663	124.144	XHZXKMKPMKLPHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000759
CC1CCc2nnnn12	PC-id_89729328	124.144	VXCMVPCDGFLHLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000760
CC1CCn2nnnc12	EMOLS-id_48364962,PC-id_15304946	124.144	QRWXXANTWUIJKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000761
Cc1nn2CCNc2n1	SCHEMBL12903220,PC-id_136007720	124.144	YTFNKVQDZFTVFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000762
Cc1nn2c(n1)CNC2	SCHEMBL20439686,PC-id_135275595	124.144	BNZDVZUBOBIULZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000763
CC1NNc2ccnn12	PC-id_136601980	124.144	RRVCJGGYWLFLSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000764
Cc1nnc2n1CCN2	PC-id_136020385,SCHEMBL13692987	124.144	AELJVBGLFFKPMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000765
C[C@@H]1CCc2n1nnn2	SCHEMBL15160585	124.144	VXCMVPCDGFLHLF-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000766
CN1CCn2c1nnc2	SCHEMBL13295766,PC-id_58977241	124.144	YVECAFDBYUTMME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000767
n12CCCc1nnc2N	PC-id_79875032,EMOLS-id_42582433	124.144	PKICZJNLTHWMFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000768
n12CNNc1ncc2C	PC-id_57106268	124.144	FRBXDJUINKYZDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000769
n12n(CCC1)cnc2=N	PC-id_21783731	124.144	LRUCTLYFVNABFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000770
n12nc(nc1CCC2)N	PC-id_82593603	124.144	LYSKEWRGSHFUEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000771
n12nncc1CC(N)C2	PC-id_84731071	124.144	MOIYVAGBSNIDBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000772
n12nncc1C(N)CC2	PC-id_84716048	124.144	USQURMCGDLJTBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000773
N1Cc2n(nnc2C1)C	PC-id_83864776	124.144	KHMIPRNWSZCGPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000774
Nc1c2CNCc2[nH]n1	ZINC22_22172100,PC-id_16784575,MCULE-2161190107,EMOLS-id_37387903,EMOLS-id_49781767,SCHEMBL2386263	124.144	KVRUYJRLTMIRKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000775
NC1Cc2n[nH]nc2C1	PC-id_84048574	124.144	QYJBPRXYEHIIEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000776
NC1CCc2n[nH]nc12	PC-id_83872194	124.144	SGSNKBUNHSQEHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000777
NC1CCn2ncnc12	EMOLS-id_337871141	124.144	WJZYOZKSZMAKHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000778
N[C@H]1CCn2cnnc12	ZINC22_96509897,PC-id_97617259	124.144	JGAKZSQDTVJNBB-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000779
N[C@@H]1CCn2cnnc12	ZINC22_96509898,PC-id_97617260	124.144	JGAKZSQDTVJNBB-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000780
NN1CCn2c1ccn2	PC-id_141088545	124.144	ZZOGKXKJEWQTRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000781
Nn1nc2CCCc2n1	PC-id_71711080,MCULE-1506442716	124.144	XNJOECZYWWHJIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000782
Nn1ncc2c1CNC2	PC-id_141308587	124.144	KDDMCCJDSVWRNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000783
C1c2c(N=N1)scc2	PC-id_90875535	124.164	HMVAZBDCGSCRLH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000784
C1C=c2c(=N1)scn2	PC-id_66748101,SCHEMBL623917	124.164	STNOWWNYUKQHTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000785
C1=Nc2c(C1)cns2	PC-id_117968181	124.164	JFNMSOWCLQKKEY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000786
C1=Nc2c(C1)csn2	PC-id_141120790	124.164	NYPLKPJXFXKOHT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000787
C1=Nc2c(C1)ncs2	PC-id_68541595,SCHEMBL3184805	124.164	GRTLIRHWFUBDBD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000788
c1nc2c(s1)C=NC2	PC-id_68891573,SCHEMBL4046570	124.164	BUQMNEULRJTWIJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000789
CC1C[n+]2n(C1)cnc2	PC-id_58434543,SCHEMBL12245610	124.164	WVZJLQQMXDECPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000790
Cc1n[n+]2n(c1)CCC2	PC-id_58070772,SCHEMBL10014944	124.164	BQAVAVDCXVFSFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000791
Cn1c2c(C[NH2+]C2)cn1	PC-id_86306459	124.164	ZPRTZMMXOLTYSI-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000792
C[n+]1cn2c(n1)CCC2	PC-id_59294628,SCHEMBL17523273	124.164	ZTQBIKXHHLIBNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000793
Cn1n[n+]2c(c1)CCC2	PC-id_58070783,SCHEMBL10014938	124.164	LEDWBQNQOXAGBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000794
c12CCCc1ccs2	EMOLS-id_76744114,MCULE-5119382326,SCHEMBL828997,PC-id_13616195	124.203	IRPQLEYYDURDBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000795
C1Cc2c(C1)csc2	PC-id_20069471,SCHEMBL5566492	124.203	VKSRWASDJSTKRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000796
C1C=NC2=[N+]1C=CS2	PC-id_153803993	125.017	WZWGOSFYKFIAME-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000797
C1=CSC2=N[NH2+]C=C21	PC-id_163553275	125.017	FKWUPVHNVKGGSD-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000798
C1CC2=C(C1O)N=CO2	MCULE-9078819521,PC-id_162341879,EMOLS-id_330793990	125.048	ZIUKNKUXFNCLJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000799
P1=Cc2oncc2C1	PC-id_53440152	125.065	HJKWPZNUOSCJJI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000800
C1c2c(CN1N)[nH][nH+]c2	PC-id_163968481	125.082	SNXCWDOMIORRTK-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000801
C1OC(=O)c2c1cno2	PC-id_105427233	125.082	LQVBEPGSFOCJJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000802
C1OC(=O)c2c1onc2	PC-id_105427234	125.082	UVLJRMBWHFENFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000803
O1c2ocnc2CC1=O	PC-id_57453787,SCHEMBL1261094	125.082	KAEHHCCTYFFRMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000804
O=C1OCc2conc12	EMOLS-id_317668757,MCULE-7470241658	125.082	PJUWSVVRFFVXOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000805
C1c2nonc2NC1=O	PC-id_136305607	125.086	LHWXUQAXGDSUEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000806
c12CCCc1onc2O	MCULE-7751283487,EMOLS-id_106498363	125.125	NGAKQSABZWRCAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000807
Cc1nc2c(o1)OCC2	SCHEMBL14930414,PC-id_89552817	125.125	DOKHLTBRSAYGPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000808
Cc1onc2c1COC2	PC-id_101706581	125.125	SFWTZIMZBXEVQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000809
C[C@@H]1OCc2c1con2	PC-id_101667890	125.125	WNGVSWMWKSHNDC-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000810
C[C@H]1OCc2c1con2	PC-id_101667891	125.125	WNGVSWMWKSHNDC-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000811
O1C(c2c(noc2)C1)C	PC-id_10374466	125.125	WNGVSWMWKSHNDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000812
O1Cc2c(onc2C)C1	PC-id_20632742	125.125	XFZZOOHPVAOQGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000813
O1CCc2c1onc2C	PC-id_20632743	125.125	LTULYJXBSVKXDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000814
o1cnc2CCC(O)c12	MCULE-9132033500,EMOLS-id_320434217,PC-id_138958418	125.125	AMDUMQGPECBQCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000815
O1C(Oc2c1c[nH]c2)C	PC-id_45092671	125.125	UHNWDBFTXUEWGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000816
o1[nH]c2CCCc2c1=O	PC-id_83845344	125.125	MKMXWZIAUBEEPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000817
OC1COc2c1c[nH]c2	PC-id_142439504	125.125	UQNCLVDBZRGOHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000818
[O-]c1coc2[n+]1CCC2	PC-id_102421501	125.125	XPTFOAGNCLSUNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000819
O=c1[nH]c2c(o1)CCC2	PC-id_117273222	125.125	AQKUOFLSXWPFGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000820
c12COCc1n[nH]c2N	PC-id_83680000,MCULE-3750677658,EMOLS-id_324060610	125.129	QLUQXGGDVMPTPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000821
c12C(O)CCn1cnn2	MCULE-8160299754,PC-id_102548705,EMOLS-id_49181722	125.129	LOVUPYSEPVKEJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000822
c12OCCn1nc(N)c2	MCULE-9377190122,PC-id_82593619,EMOLS-id_49829956,ZINC22_82835860	125.129	CXAXTMNEDQEGKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000823
Cc1nnc2n1COC2	PC-id_143770206	125.129	MKCSXSOHGVEPSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000824
n12CC(Cc1ncn2)O	PC-id_11819088,MCULE-1847941979,EMOLS-id_49426697	125.129	GWIZDRRBDXXWIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000825
n12CCCc1n[nH]c2=O	MCULE-5614237959,ZINC22_34467475,EMOLS-id_31521435,SCHEMBL3521826,PC-id_15105328	125.129	WTMDBOJIFXBWBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000826
Nc1c2n(CCO2)nc1	EMOLS-id_303623331,MCULE-4522998321,SCHEMBL18418885,ZINC22_585164337	125.129	ZDPVZZOOMJEYRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000827
Nc1cnc2n1CCO2	PC-id_96638248	125.129	DYOJIJOKILVGJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000828
Nc1noc2CNCc12	EMOLS-id_330462605,PC-id_82418865	125.129	UDNAEKJICFBYSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000829
[nH]1c(=O)c2CNCc2[nH]1	PC-id_82418862,EMOLS-id_320410892,MCULE-5009977116	125.129	WYDJLBQXTFMRJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000830
o1nc2c(CNC2)c1N	PC-id_82650990	125.129	XZUFZJRCMAARRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000831
o1nc2C(N)CCc2n1	PC-id_82418863	125.129	SXMGHFOASGUAPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000832
OC1c2n(ncn2)CC1	PC-id_10034632,EMOLS-id_81816528,MCULE-5712565243	125.129	DBSHTRPXNPDQQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000833
O=c1[nH]c2c([nH]1)CNC2	PC-id_55299038	125.129	LXJGHIQKPAUHBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000834
O[C@H]1Cc2ncnn2C1	EMOLS-id_337252097,PC-id_93234182	125.129	GWIZDRRBDXXWIB-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000835
O[C@H]1CCn2c1ncn2	PC-id_92975743	125.129	DBSHTRPXNPDQQU-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000836
O[C@@H]1CCn2c1ncn2	PC-id_92975744	125.129	DBSHTRPXNPDQQU-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000837
O[C@H]1CCn2cnnc12	PC-id_97617267,ZINC22_96509905	125.129	LOVUPYSEPVKEJZ-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000838
O[C@@H]1CCn2cnnc12	PC-id_97617268,ZINC22_96509906	125.129	LOVUPYSEPVKEJZ-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000839
O[C@H]1Cn2c(C1)ncn2	PC-id_93234181	125.129	GWIZDRRBDXXWIB-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000840
ON1c2[nH]ccc2NC1	PC-id_69607892,SCHEMBL5922157	125.129	JSLVOSNBVVFBFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000841
ON1Cc2c(C1)nc[nH]2	SCHEMBL17380069,PC-id_118613814	125.129	DICKVHQKVSIZHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000842
C1Cn2c(c(nn2)N)N1	PC-id_136305604	125.132	JQPFPSSVBWBUJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000843
C1Cn2c(nc(n2)N)N1	PC-id_136308589	125.132	BMOYVNFUEKBVCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000844
N1(CCn2nnnc12)C	PC-id_13377848	125.132	ZPMDCZLPKFSWFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000845
Nc1c2c(NNC2)n[nH]1	MCULE-4180253087	125.132	JXBFWSXMWZCCED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000846
NC1Nn2c(N1)ncc2	PC-id_142318066	125.132	LXZDJFUUENRQGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000847
[n+]12cccn1CC(O)C2	ZINC22_13118929,MCULE-9727258790,EMOLS-id_300544137,PC-id_416617,CoCoCo_5392564,LI_214883,ChEMBL-DNDi_CHEMBL1618721	125.148	PPQQAINRVGQLGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000848
O1c2n([n+](cc2)C)CC1	PC-id_21043348	125.148	FTACRJUAQXQRJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000849
n12nn[n+](c1CCC2)C	PC-id_10869330	125.152	GMJZESDHGKBPLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000850
[n+]12nn(nc1CCC2)C	PC-id_21671888	125.152	WGWYSUHHXDUQCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000851
C1c2ccsc2CN1	EMOLS-id_300983397,MCULE-5215945857,SCHEMBL1025859,PC-id_53691969	125.191	ILIZNFIPIKPITN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000852
C1Cc2c(C1)cns2	PC-id_12339570,SCHEMBL5641448	125.191	RGNYWFYPKSEKGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000853
C1Cc2c(C1)csn2	PC-id_69515962,SCHEMBL5641970	125.191	RISMRMRZQNYTDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000854
C1Cc2c(N1)scc2	PC-id_23543629,SCHEMBL279918	125.191	BOMRMZLDRKYVKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000855
C1Cc2ncsc2C1	PC-id_580614,MCULE-3104789634,SCHEMBL2374521,ZINC22_32152519,EMOLS-id_31655089	125.191	QCCKBDNIBZPFCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000856
C1Cc2sccc2N1	MCULE-9404493850,SCHEMBL6989045,PC-id_23543630,EMOLS-id_41901622	125.191	BNBZRQLFQVVGBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000857
C1Cn2c(S1)ccc2	PC-id_11344020,SCHEMBL10736368	125.191	ZSXJQVNQZXSAOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000858
C1Nc2c(C1)csc2	PC-id_67380185,SCHEMBL2364779	125.191	MCOBVVGETZQBBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000859
C1NCc2cscc12	SPECS-id_AT-556/MD13455,SCHEMBL3623298,EMOLS-id_300624942,PC-id_15337443,MCULE-8823970478	125.191	CQTYDCWVBWBDBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000860
C1Sc2c(C1)c[nH]c2	PC-id_140980141	125.191	VAHJVMYREVECBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000861
C1Sc2c(C1)[nH]cc2	SCHEMBL3603357,PC-id_68709714	125.191	WWLKLWDHMOCRQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000862
S1Cc2c(C1)cc[nH]2	PC-id_69330879,SCHEMBL5146344	125.191	SHQPMRICXGHBMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000863
S1Cc2c(C1)c[nH]c2	SCHEMBL1011908,PC-id_23082149	125.191	PACRFWGPIBIQLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000864
S1Cn2c(C1)ccc2	PC-id_21284368,SCHEMBL207211	125.191	AAUBAPMXIKRIIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000865
C1CC2=C(C1)SC=[NH+]2	PC-id_154560763	126.037	QCCKBDNIBZPFCH-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000866
C1CC2=C(C1)N=C(N2)F	PC-id_155070827	126.059	DJGJZNFDWPRPHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000867
C1Cc2c(C1)[nH]nc2F	PC-id_163788791	126.059	MUWNSYIPQQJLHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000868
c12nonc1COC2=O	ZINC22_116085382,SCHEMBL1404365,EMOLS-id_50891344,MCULE-7083419972,PC-id_58941798	126.07	HTBHBWVPYXTMLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000869
[N-]1O[N+](=O)c2c1coc2	PC-id_100914479	126.07	FAGXWZABHJKFML-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-000870
C1COc2c1oc(c2)O	SCHEMBL15224423,PC-id_89778686	126.11	KVOQYGQWLFSQQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000871
CC1Oc2c(O1)cco2	PC-id_141142224	126.11	FHKFZFQMIPMLPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000872
CC1Oc2c(O1)coc2	PC-id_141158774	126.11	NGIYRZXIFLONRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000873
c12COCc1noc2N	PC-id_83680001,MCULE-8765145100,EMOLS-id_70108215	126.113	XYBVTMORDKGJOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000874
Cc1nc2c(o1)NCO2	PC-id_91066364	126.113	QNDIPGHJSHOUHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000875
[n+]12CCCc1c(on2)[O-]	SCHEMBL2524486,MCULE-7737549451,PC-id_15089037,EMOLS-id_46342927	126.113	QIRHBUZYRQSEBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000876
Nc1noc2c1CCO2	PC-id_117274714	126.113	DOBMSBJBCBICHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000877
o1c2c([nH]c1=O)CNC2	PC-id_82593637	126.113	CBFMOEAWUWNMDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000878
O1c2c(N(O)C1)[nH]cc2	PC-id_69607837,SCHEMBL5922092	126.113	CFQJBZWNZKFTOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000879
o1c2N(O)CNc2cc1	PC-id_69607920,SCHEMBL5922194	126.113	SIAUZRQGHBAWPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000880
O1Cc2c(onc2N)C1	PC-id_82418825	126.113	LTYVQNACBPBTQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000881
O1Cc2[nH][nH]c(=O)c2C1	PC-id_83845352	126.113	XDZJDYHFOLGOQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000882
o1nc2n(CCC2)c1=O	PC-id_20579213	126.113	BFRQUUDYNAVLMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000883
o1[nH]c2c(CNC2)c1=O	PC-id_83845351	126.113	YFSFBYDTPQZMIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000884
o1[nH]c(=O)c2CNCc12	PC-id_82418834	126.113	XHHGDJNAOKVJFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000885
o1[n+]([O-])c2CCCc2n1	PC-id_21423408	126.113	CKVSNGSZYGMGAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000886
c12NONc1[nH]c(C)n2	ZINC22_40174029,MCULE-9134805674,PC-id_43839767,EMOLS-id_31521085	126.117	FFERVVPESRSQRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000887
C1CNc2n1c(=O)[nH]n2	SCHEMBL13760490,PC-id_89164132	126.117	HKBBRAUCULZWQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000888
O1CCn2c1nnc2N	PC-id_82593640	126.117	JMYULFZYTSQJCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000889
O1CCn2nc(nc12)N	PC-id_82593638	126.117	BMTYPVMJLJUNBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000890
OC1CCn2c1nnn2	PC-id_117273246	126.117	UVQVPODETAWKQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000891
Oc1coc2[n+]1CCC2	PC-id_102421502	126.133	XPTFOAGNCLSUNF-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000892
N1Cc2c(N1)scc2	SCHEMBL19100176	126.18	PZHFXVGDILVKNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000921
C1Cc2[n+](C1)[nH][nH]c2=O	PC-id_91292610	126.137	BMFKNKRVFLIJBV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000893
C1c2cocc2CS1	PC-id_85665969	126.176	FBVMRQIAUPBGGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000894
C1Cc2c(O1)scc2	SCHEMBL5133817,PC-id_53952327	126.176	WJLATGRMLBSXBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000895
C1Cc2c(S1)occ2	PC-id_89374435,SCHEMBL14591138	126.176	YKXQXGABXZMKJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000896
C1CSc2c1occ2	SCHEMBL14591136,PC-id_89374434	126.176	DWKYZRQBGZVALU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000897
C1Oc2c(C1)csc2	SCHEMBL2355725,PC-id_23532161	126.176	OPSCWDASULUTIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000898
C1Oc2c(C1)scc2	PC-id_23532163,SCHEMBL2044224	126.176	YIJIWBROFGNOFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000899
C1Sc2c(C1)coc2	PC-id_13595300,SCHEMBL2083621	126.176	VALAGTHXEIVICE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000900
s1c2c(COC2)cc1	PC-id_54458317	126.176	AKRADPJGDPPMLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000901
S1Cc2c(C1)cco2	SCHEMBL4547880,PC-id_11073426	126.176	GIDSMZAFBFGELB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000902
s1cc2c(COC2)c1	PC-id_11320941	126.176	BYVYJRYWRFPSSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-000903
c12CSCc1[nH]nc2	PC-id_2753356,SCHEMBL4949306,SPECS-id_AT-819/OC06687,MCULE-5755520035,MDPI-id_17155,ZINC22_3848620,EMOLS-id_5863559	126.18	WFUOVUVQGMHJCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000904
C1c2c(cc[nH]2)NS1	SCHEMBL20523326,PC-id_135348206	126.18	ZMYNQWUJJSXVRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000905
C1c2c[nH]cc2NS1	PC-id_135347872,SCHEMBL20522924	126.18	VKJBFZVEWAKVLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000906
C1c2c([nH]cc2)NS1	PC-id_135347953,SCHEMBL20523020	126.18	HGTNBSIEVPFJIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000907
C1c2cscc2NN1	PC-id_90952268	126.18	BSGWDRMMOYPZEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000908
C1Cc2c(C1)nsn2	PC-id_69516375,SCHEMBL5643139	126.18	FHIMVFPQGFAWCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000909
C1Cc2c(N1)scn2	PC-id_66748102,EMOLS-id_194444146,SCHEMBL623918	126.18	VSEJAWWZXVSFMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000910
C1Cc2c(S1)n[nH]c2	SCHEMBL19100577	126.18	CVRRKFFELWGILQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000911
C1Cn2c(S1)cnc2	SCHEMBL12841277,PC-id_68400206	126.18	XHJMZOSZONPPPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000912
C1CSc2n1ccn2	SCHEMBL396167,PC-id_12397493	126.18	LCCQUAVRRQQTLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000913
C1CSc2n1ncc2	SCHEMBL3229000,PC-id_21941412	126.18	ZYPZIXFZRXDECD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000914
C1Nc2c(C1)scn2	PC-id_68699759,SCHEMBL3577751	126.18	SWAUOEXAGIPLDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000915
C1Nc2c(N1)ccs2	SCHEMBL16915366,PC-id_118239269	126.18	VFDVUXBKGIXSDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000916
C1Nc2c(N1)csc2	PC-id_141144181	126.18	PZSXRUQUAKHKAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000917
c1nc2c(s1)CNC2	SCHEMBL951473,SPECS-id_AT-556/MD13454,PC-id_18442780,EMOLS-id_300505565,ZINC22_39134788,MCULE-3953962684	126.18	ZPBHXVTULFEOTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000918
C1Sc2c(N1)[nH]cc2	PC-id_58996079,SCHEMBL207754	126.18	RLFKUOQQYYHIDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000919
N1Cc2c(C1)cns2	SCHEMBL3577613,PC-id_68699693	126.18	DSJWNQRXZVTNPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000920
N1Cc2c(S1)[nH]cc2	PC-id_67248202,SCHEMBL2014563	126.18	JLYWUDHQOHDKSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000922
N1Sc2c(C1)[nH]cc2	SCHEMBL2017180,PC-id_67249230	126.18	KIOOGEHMLXKRNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000923
[nH]1cc2SCCc2n1	MCULE-6063625288,PC-id_53275064	126.18	HJOQVLHOVNWGTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000924
S1Cc2c(C1)nc[nH]2	PC-id_141212887	126.18	IHQLDONSQYPRJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000925
S1Cc2n(ncc2)C1	SCHEMBL3220520,PC-id_21941437	126.18	CTPCVHKGQTXRLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000926
S1Cn2c(C1)cnc2	PC-id_21667911,SCHEMBL9678599	126.18	USNPKYXHOUFZIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000927
S1Cn2c(C1)ncc2	SCHEMBL3216833,PC-id_21941418	126.18	RRHUMRIHJRWHKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000928
S1Cn2c(N1)ccc2	SCHEMBL7158355,PC-id_18546032	126.18	ZUTYGHUPFHOQMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000929
S1n2c(ncc2)CC1	PC-id_45092612	126.18	NKABYOUJDLURRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000930
s1nc2c(CNC2)c1	PC-id_82418798	126.18	DUKPDXNDJQFUOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000931
s1ncc2NCCc12	PC-id_82418799	126.18	ODHAZZGOGVAIAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000932
s1nnc2CCCc12	PC-id_12206280	126.18	NJTFNGSPJWCWNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000933
C1COC2=C1C=NS2	PC-id_164829841	127.009	DSYMAKYFMFRBBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000934
C1COC2=C1SN=C2	PC-id_164829840	127.009	VZGDINPEMJITLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000935
C1CSC2=CN=NN21	PC-id_154724305	127.02	WFHUASTYVDHXOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000936
C1N2C=CN=C2NS1	PC-id_153802570	127.02	WPJDNZBAWNBZGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000937
C1Cc2nnc(n2C1)F	PC-id_163690463	127.055	JSNZFCLTUVOTHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000938
[N-]1ON(c2c1con2)[O]	PC-id_100914474	127.058	VUKSHILGZOMSHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000939
N1O[N+](=O)c2c1coc2	PC-id_100914480	127.078	MYDIJZCXYURAQN-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-000940
O1Pn2c(C1)ccc2	SCHEMBL2405575,PC-id_67394755	127.081	ZVGJWMOWVGDJQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000941
C1c2coc(=O)n2CO1	PC-id_90279965,SCHEMBL15873624	127.098	LGKAXSBZMFTTOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000942
O1c2c(OC1)cn(O)c2	PC-id_69447182,SCHEMBL5451955	127.098	ZLIPBXRZIOFDFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000943
O1c2c(occ2)N(O)C1	SCHEMBL5922207,PC-id_69607935	127.098	JKLHUPUGVYAJIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000944
c1cn2c(c1N)OON2	PC-id_87768265,SCHEMBL5040227	127.101	JTXNSHXIARIXPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000945
c12NONc1[nH]c(N)n2	ZINC22_40174019,PC-id_43839761,MCULE-4948152683,EMOLS-id_31521073	127.105	XZLIUHPDEAEHDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000946
Fc1cc2n(n1)CCN2	SCHEMBL21018088,PC-id_138649722	127.12	RIKVYDQRXUMDEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000947
Oc1on[n+]2c1CCC2	PC-id_15089038,ZINC22_34464190	127.121	QIRHBUZYRQSEBZ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000948
C1Cc2c(O1)scn2	SCHEMBL19118744	127.164	MGIHGYOKZYVSAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000949
C1Nc2c(O1)scc2	SCHEMBL14363744,PC-id_58996051	127.164	HIZDKQPFTJPIPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000950
C1Nc2c(S1)occ2	SCHEMBL14363746,PC-id_58996142	127.164	AIBNBRXUCPAFKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000951
C1Oc2c(C1)nsc2	SCHEMBL2042944,PC-id_67258501	127.164	KYHLJXYLLHGKLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000952
C1Oc2c(C1)scn2	PC-id_118571114,SCHEMBL17329382	127.164	RMGZTOQCNFYZNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000953
C1Oc2c(N1)scc2	PC-id_58996199,SCHEMBL14363748	127.164	NBYXRXLIUCKOAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000954
C1Sc2c(N1)occ2	PC-id_58996043,SCHEMBL14363749	127.164	VEZKMYGNUJNAHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000955
C1Sc2c(O1)[nH]cc2	PC-id_22058699,SCHEMBL3767148	127.164	FIUCUOUYPJXLRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000956
S1Cc2c(onc2)C1	PC-id_11116075	127.164	XFBFQUJTMPRVFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000957
c1c2c(c[nH]1)NSN2	SCHEMBL20523074,PC-id_135347998	127.168	WHOJCLATQKQRDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000958
C1c2c(cn[nH]2)NS1	PC-id_135347881,SCHEMBL20522935	127.168	BCZFVKORKGQREC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000959
C1c2n[nH]nc2CS1	PC-id_135348053,SCHEMBL20523143	127.168	UDVVTMMSWFNIMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000960
C1Cn2c(S1)ncn2	SCHEMBL4067493,PC-id_59210911	127.168	BHJOIBOWVWJPCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000961
C1CNc2c1nns2	PC-id_136305601	127.168	HICJHBYCBZYKBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000962
c1c[nH]c2c1NSN2	PC-id_135348111,SCHEMBL20523211	127.168	QIWMBCZQEYOELA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000963
C1CSc2n1cnn2	SCHEMBL17086628	127.168	CVRNUZLYYLFFEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000964
C1NCc2snnc12	PC-id_82418775,ZINC22_82411315	127.168	OOCQQQPFFBATQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000965
C1Nn2c(S1)ncc2	PC-id_19815248,SCHEMBL11568988	127.168	RCJSNIXTZQILLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000966
C1Sc2c(N1)[nH]cn2	PC-id_68911693,SCHEMBL4099379	127.168	MRAUTJYJGNYQAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000967
C1Sc2c(N1)[nH]nc2	PC-id_139214101	127.168	VYCCOMRPQAPJBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000968
N1Nc2c(C1)scn2	PC-id_141376927	127.168	NAVWTXADFUHNHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000969
N1Sc2c(C1)[nH]cn2	PC-id_66881278,SCHEMBL1027123	127.168	DECIMPYIBXUOFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000970
N1Sc2c(C1)[nH]nc2	SCHEMBL3948319,PC-id_68850495	127.168	BCMIIGOLUMFMQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000971
S1Cc2c(N1)[nH]cn2	PC-id_67787034,SCHEMBL20523220,SCHEMBL9165759	127.168	HDDLSKYOJQEMNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000972
S1Cc2c(N1)n[nH]c2	SCHEMBL20523392	127.168	GRUBPIIXTYRGFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000973
S1Cc2n(nnc2)C1	PC-id_68464272,SCHEMBL2978354	127.168	YPHHZFCSPSCFRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000974
S1Cn2c(C1)ncn2	SCHEMBL4065328,PC-id_68898699	127.168	KKKXXJUGEVSXCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000975
C1CNc2[n+]1ccs2	SCHEMBL11511680,PC-id_20396844	127.187	XOHDYBSXKQFZGS-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-000976
C1OC2=C(O1)OC=C2O	PC-id_152345103	128.011	WYFORADEAQLQOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000977
C1COc2c1[nH]nc2F	PC-id_163606241	128.039	HCBCRBNISVEAEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000978
c1c2c(no1)NO[N+]2=O	PC-id_136682938	128.066	SGEPXABJSGAIJK-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-000979
C1Oc2c(O1)c[pH]c2	SCHEMBL6316937	128.066	WZXBYYYFNGGUBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000980
[O]N1ONc2c1noc2	PC-id_100914475	128.066	KLOJUXJJURQLLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000981
c12nonc1N[N+](=O)N2	PC-id_136790137	128.07	DEPXSUMUGRCBND-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-000982
c12NONc1[nH]c(=O)[nH]2	PC-id_43839765,EMOLS-id_31521081,ZINC22_40174025,MCULE-2808026788	128.089	WRRYGWDZGLPYSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000983
C1c2cscc2OO1	PC-id_87455556,SCHEMBL2920221	128.149	AOVBYNYPCOXFNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000984
C1Oc2c(O1)ccs2	PC-id_23212675,SCHEMBL751548	128.149	ZGDVFOLZAYGBBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000985
C1Oc2cscc2O1	MCULE-5315024418,PC-id_21917674,SCHEMBL474616	128.149	AVBCFBRGFCGJKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000986
c1c2c(co1)SNN2	PC-id_91399251	128.152	VVHXXYNYOBYMPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000987
c1c2c(cs1)NON2	SCHEMBL20523243,PC-id_135348136	128.152	OPDMYZOEJMZYGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000988
C1c2n[nH]nc2NS1	SCHEMBL20523601,PC-id_135348423	128.156	NUQQFHPMIWGZGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000989
C1Cn2c(S1)nnn2	PC-id_11423600,SCHEMBL1142537	128.156	QKCFJEOMSWDTFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000990
C1Nc2n[nH]nc2S1	PC-id_137225776	128.156	VXCHWWOWJZMOHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000991
N1Sc2c(N1)[nH]cn2	SCHEMBL10788021,PC-id_70444365	128.156	WLERIFURWHHOHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000992
S1Nc2c(N1)nc[nH]2	PC-id_67787434,SCHEMBL9168633	128.156	PSMNQAHEOMPCGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000993
C1=C2C(=CN1)OPO2	PC-id_160072859	128.998	OQXUYYUSXUUZCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000994
N1Oc2c(P1)[nH]cn2	SCHEMBL5692323,PC-id_69533271	129.057	YBSVNLWHSUSESM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000995
C1=C=Cc2c1c(n[nH]2)C#N	PC-id_89269790,SCHEMBL14193137	129.119	FWZAAOPGRFCLCI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-000996
N1Oc2c(O1)ccs2	PC-id_141349436	129.137	UOAJBMJXAUCENQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000997
N1Oc2c(O1)csc2	SCHEMBL18675925	129.137	IUPPBGYDNCLPEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000998
c1c2c(no1)NSN2	PC-id_135348310,SCHEMBL20523453	129.14	AZJWTIIZVOQZOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-000999
c1c2c(ns1)NON2	PC-id_137287847,SCHEMBL20523356	129.14	MCXROHGKTBGMPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001000
c12n[nH]nc1SNN2	PC-id_137211543	129.144	RTJFEOWGASOSNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001001
n12c(CC=C1C#C)ccc2	PC-id_57104473	129.159	VRLRPTJOEMZCDK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001002
CC[c-]1ccc2=C=CC=c12	PC-id_101383907	129.178	YQTJMVLIFRNPPP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001003
C1=C2C(=CO1)OPO2	PC-id_165358706	129.982	JHLLEIRSVLWPIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001004
C1C=C(C2=CC=CN21)C#N	PC-id_154064388	130.053	FEXKREBQHZNKPV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001005
S1Oc2c(O1)cco2	PC-id_19078205,SCHEMBL7842938	130.122	SYHPIVCAVPOZGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001006
n12CC=Cc1ccc2C#N	SCHEMBL5496830,PC-id_69463737	130.147	KMHTZDKIQIKVPK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001007
n12c(C(C=C1)C#N)ccc2	PC-id_22405724,SCHEMBL5496826	130.147	IBJYILXNQOIXBY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001008
n12c([C@H](C=C1)C#N)ccc2	SCHEMBL9010409,PC-id_67747425	130.147	IBJYILXNQOIXBY-SSDOTTSWSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001009
n12c([C@@H](C=C1)C#N)ccc2	SCHEMBL9010414,PC-id_67747428	130.147	IBJYILXNQOIXBY-ZETCQYMHSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001010
CN1C=CC2=C1C=CC2=C	PC-id_152818262	131.073	SSZQZIDCIUTFOZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001011
N#Cc1ccn2c1N=CC2	PC-id_141432331	131.135	QVZNMSGAKIKEHM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001012
N#Cc1cn2c(c1)N=CC2	PC-id_141432373	131.135	RPGLQOFOMCVQMO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001013
N#Cc1[nH]nc2c1CC=C2	PC-id_23135138,SCHEMBL5086087	131.135	VJGDEBQIOLVRKF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001014
N#Cc1[nH]nc2c1C=CC2	SCHEMBL5085547,PC-id_17972413	131.135	IAOXGQOZAHLHAS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001015
Cc1cc2=CC(=C)C=c2[nH]1	PC-id_91162301	131.174	LTPOQZZFEKGJEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001016
CC1=Cc2cc(=C)[nH]c2=C1	PC-id_90699540	131.174	GTZLSAORLMLEFK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001017
CC=C1C=c2cc[nH]c2=C1	PC-id_91395877	131.174	SEJBTUHTBAQKEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001018
[nH]1c2=C(C=Cc2cc1=C)C	PC-id_54005078	131.174	KOHFRIOJDUSEKH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001019
[nH]1c2=CC=Cc2cc1=CC	PC-id_57016052	131.174	DSFSMGLFHKNZBE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001020
C1C=NC2=C(N=CN21)C#N	PC-id_153951972	132.044	CLVJVIKSKDDRTF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001021
C=C1C=Cc2c1c(C)co2	SCHEMBL17104861,PC-id_60124987	132.159	XOIHPTRDNIQXLJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001022
C#Cc1cc2CCCn2n1	MCULE-1372093279,EMOLS-id_323991440	132.163	WBGNMKXJIZSBCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001023
C=CC1=CCn2c1ncc2	PC-id_91332711	132.163	FGJQLSDBHQTYNL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001024
C#Cc1cnn2CCCc12	EMOLS-id_323990928,MCULE-5759868230	132.163	COVNOTCLHBXTGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001025
C#Cc1n[nH]c2CCCc12	MCULE-1740918266,EMOLS-id_313878099	132.163	PNSXLHKQZXOMSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001026
n12CCC(c1ccc2)C#N	PC-id_12795080,SCHEMBL10957551	132.163	SOIQWDFKKASZNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001027
n12CCCc1cc(c2)C#N	PC-id_82651075	132.163	MMZHVPBIDNWUMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001028
n12CCCc1ccc2C#N	PC-id_82651076	132.163	DINRETVKIGSETC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001029
n12CCCc1c(cc2)C#N	SCHEMBL10852416,PC-id_12461845	132.163	GGOUCIOBWBDYAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001030
n12C(CCc1ccc2)C#N	SCHEMBL8605100,PC-id_67638668	132.163	PESQPMGUTMHKLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001031
N#CC1CCc2c1c[nH]c2	PC-id_23456168,SCHEMBL11344778	132.163	OVRJLBWRKFLAJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001032
[nH]1c2CCCc2c(c1)C#N	PC-id_82651077	132.163	VEYDLMRDLWXZEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001033
CC1(C)[CH-]Cc2c1[cH-]cc2	PC-id_101345810	132.202	DFVWSWHXBQPTTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001034
n12c(CCB1CC)ccc2	PC-id_85737719	132.999	CSAPMRKZIYEBCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001035
C1C=CC2=CC(=CN21)C=O	PC-id_153364431	133.053	RMUYTBCYPHJTJM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001036
CC1=CN2C=CC=C2C1=O	PC-id_154514868	133.053	GOFVBHKCFNLHCE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001037
CCC1C=CN2C1=CC=C2	PC-id_154444762	133.089	KLCYLMDDDOICRK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001038
C1C=C(c2cccn12)C=O	SCHEMBL7486287,PC-id_88149552	133.147	NSTMDRRYWIDJEM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001039
CC1=Cc2n(C1=O)ccc2	SCHEMBL16156014,PC-id_10678289	133.147	JHSSLTWRNHFUAZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001040
o1c2CCCc2cc1C#N	PC-id_82651083	133.147	VIEFXEUJAYAELK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001041
O=C1n2c(C(=C1)C)ccc2	PC-id_10606780	133.147	YDMKFMZDGFVHHY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001042
O=C1n2c(c(cc2)C)C=C1	PC-id_10773012	133.147	TUQZTDYIURUUTN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001043
O=C1n2c(ccc2C)C=C1	PC-id_10820565	133.147	CHUQWNQKTNSSPC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001044
O=CC1c2n(C=C1)ccc2	PC-id_17831536,SCHEMBL7486284	133.147	JXUJIZKBYXSBEF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001045
O=C=C1Cn2c(C1)ccc2	PC-id_140129620	133.147	HDRGEPIUJAFVHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001046
C#Cc1cnn2c1NCC2	EMOLS-id_97184680	133.151	MPFWZRRWMOIREU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001047
[C-]#[N+]c1n[nH]c2CCCc12	EMOLS-id_313880667,PC-id_140641986	133.151	UKFGDSYIYNTHGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001048
n12CCCc1cnc2C#N	PC-id_82651085	133.151	TVKHPXYZSFTXEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001049
n12CCCc1ncc2C#N	PC-id_82651088	133.151	QRKUZUYEJPUWKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001050
n12CCCc1nc(c2)C#N	PC-id_82651089	133.151	SKNZDRVTCOSHJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001051
n1[nH]c2c(CCC2)c1C#N	PC-id_23135139,EMOLS-id_30156624,ZINC22_24408467,EMOLS-id_70118686,MCULE-5960244529,SCHEMBL5081624	133.151	OEYYFSWAMQIPCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001052
N#Cc1cc2CCCn2n1	EMOLS-id_76749555,SCHEMBL15261098,MCULE-5985473229,PC-id_82651086	133.151	OTZAFKVZBIZILU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001053
N#CC1CCn2c1ncc2	EMOLS-id_114334930	133.151	FJSKNAFDRCJKIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001054
N#Cc1cnn2CCCc12	MCULE-2850038756,PC-id_91667213,EMOLS-id_106059443	133.151	QDYANWGYSOPXGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001055
CC1=Cc2c(C1)ccn2C	SCHEMBL15870923,PC-id_90277948	133.19	PHMHGHILRKUSNR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001056
CC1C=c2c(=C1)n(cc2)C	PC-id_145047405	133.19	BPFFUZXWVGMXRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001057
CC1(C=c2cc[nH]c2=C1)C	PC-id_90976913	133.19	JODLNZGOAVVASL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001058
CC1(C)C=Cc2n1ccc2	SCHEMBL9975645,PC-id_58162302	133.19	HITOFGDXTLXRHY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001059
CCc1ccc2n1C=CC2	SCHEMBL7534195,PC-id_70120974	133.19	NNRJAYKIYQNFMO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001060
Cn1c(C)cc2c1C=CC2	SCHEMBL12440626,PC-id_54339265	133.19	TXTJYQKBRBZYRE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001061
n1(c2=CCC=c2cc1C)C	PC-id_53864068	133.19	GYMLLMQTTJUPRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001062
C[C@@H]1CC(c2c1cc[cH-]2)C	PC-id_146168645	133.21	KBHGRGUPDJANFT-GVHYBUMESA-N	00000010100000000000000010000000000000000000000000000000	25-01-001063
[B]N1CCn2c1cc(n2)N	PC-id_88907341	133.947	RXSIUXFGPIAZJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001064
C=C1C2=CNC(=C2C=N1)O	PC-id_163614855	134.048	OCVRFDHQPJNADD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001065
C1=C2C=C(NC2=NC1=N)N	PC-id_153816914	134.059	FQOAKDALSSCTPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001066
C1=C2C(=NC1=N)C=C(N2)N	PC-id_154367531	134.059	JFVHVAIUIRYWCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001067
CC1=NC2=C(N1C)CC=C2	PC-id_164991788	134.084	KGLWPMZHBYAEGH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001068
C=CC1=C2CCCN2N=C1	PC-id_153364303	134.084	ASTAHKWZWCHTJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001069
C=CC1=NNC2=C1CCC2	MCULE-2951976004,EMOLS-id_313880402,PC-id_165393288	134.084	KUILQZADJLMFCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001070
o1c2c(c(c1)C)C(=O)C=C2	SCHEMBL8336398,PC-id_20767750	134.132	RCMGFXBAJXVBEE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001071
o1c2c(C(=O)C(=C2)C)cc1	PC-id_10582827	134.132	AQUOIUGSIDWCFN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001072
O=C1C(=C)Cc2c1coc2	PC-id_141806954	134.132	NMZHVTBXSZEQDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001073
NC1=Cc2n(C1=O)ccc2	SCHEMBL8829536,PC-id_19963395	134.135	ILXMMKUIKGYFHY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001074
NC1=Cn2c(C1=O)ccc2	PC-id_67704754,SCHEMBL8829537	134.135	UXRQBKSDWPUKER-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001075
o1nc(c2CCCc12)C#N	PC-id_31822551	134.135	XMMMJNKBEUJSAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001076
O=C1n2c(C=C1C)cnc2	PC-id_10510899	134.135	HUTXJWVDYCLZHF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001077
O=C1n2c(C(=C1)C)cnc2	PC-id_23661134	134.135	CQDUTZWJUKDPAI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001078
O=C1n2c(C=C1)cnc2C	PC-id_23660959	134.135	GABRYHTXPVGWKG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001079
O=C1n2c(CC1=N)ccc2	PC-id_57110842	134.135	SQKHDNSHWBQFQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001080
O=C1n2c(c(nc2)C)C=C1	PC-id_10510898	134.135	LUOKUPYTTZULMB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001081
O=C1n2c(ncc2)C=C1C	PC-id_10796782	134.135	SIPJIAOLHINBQD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001082
O=C1n2c(ncc2)C(=C1)C	PC-id_23660958	134.135	MPLUYINMWDXEKB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001083
O=CC1C=Nc2n1ccc2	PC-id_141122733	134.135	STRQIYNDCQUPKE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001084
O=CC1=Nc2n(C1)ccc2	PC-id_141077534	134.135	MEUFDZAYGAGGCY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001085
c12C(CCn1cnn2)C#N	MCULE-3071188036,EMOLS-id_49181710,PC-id_102548702	134.139	UJMGZUCJTFQDMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001086
c12NCCn1ncc2C#N	EMOLS-id_97184683,MCULE-1524496360,PC-id_136320989	134.139	ZXWKIFZLRULDQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001087
c12NCCn1nc(C#N)c2	MCULE-6437758716,PC-id_137211990,EMOLS-id_320439575	134.139	JCTKMSCWCGFQHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001088
c1c2c(c[nH]1)C(=N)N=C2N	PC-id_136597924	134.139	ZNLBPVLTTSGEMU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001089
c1c2c(c([nH]1)N)C=NC2=N	PC-id_136624925	134.139	HNEFWYLNEKOOMJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001090
C1=CC(=N)c2c1[nH]nc2N	PC-id_137227971	134.139	GZLXKCJRYWBMLP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001091
C1CNc2n[nH]c(c12)C#N	PC-id_137217161	134.139	FZVRCOYLEJAMPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001092
n12CCCc1nnc2C#N	EMOLS-id_42819630,PC-id_82651093,MCULE-1411261407,ZINC22_24398278	134.139	ZXVRZZCVHQJGNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001093
n12nc(nc1CCC2)C#N	PC-id_82651094	134.139	AEFMMOFKGYANAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001094
n1[nH]c(C#N)c2c1CNC2	SCHEMBL1441978,PC-id_67034963,MCULE-9186757767,EMOLS-id_295589374,ZINC22_24408473	134.139	GXRFEMQOAFBHDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001095
N#Cc1[nH]c2c(n1)CNC2	PC-id_118613971,SCHEMBL17380231	134.139	NKMREQKTGHAFKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001096
N#C[C@H]1CCn2cnnc12	PC-id_92797456,ZINC22_24334701	134.139	UJMGZUCJTFQDMP-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001097
N#C[C@@H]1CCn2cnnc12	ZINC22_24334696,PC-id_92797455	134.139	UJMGZUCJTFQDMP-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001098
N#CN1Cc2c(C1)c[nH]n2	MCULE-4359671816,EMOLS-id_97148239	134.139	SMJKYKNYWBAFPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001099
n12N=C([CH]c1cc(n2)C)C	PC-id_59886050	134.159	RNXXIWQMPIWASO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001100
CC1=Cc2c(C1)cc(o2)C	SCHEMBL6444786,PC-id_17958881	134.175	OEWQPYLSRGPKPI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001101
CC1=Cc2c(C1)oc(c2)C	PC-id_22507830,SCHEMBL7038400	134.175	NZBTZCFFNSAXTA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001102
CC1(C=Cc2c1cco2)C	SCHEMBL19887088,PC-id_134273077	134.175	CCSUCAVBBUCOJJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001103
CC1=CCc2coc(c12)C	PC-id_91159412	134.175	JPUXCAAXFZXUEU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001104
Cc1oc2c(c1)C(=C)CC2	PC-id_102274445	134.175	PGTJZZFGHHQKFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001105
CCc1c2C=CCc2co1	PC-id_90918095	134.175	SYSRFUKKJUXJCD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001106
o1c2c(CC=C2C)c(c1)C	PC-id_58748097	134.175	LWNPBABYNAJMLU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001107
C=C1CC(n2c1ncc2)C	EMOLS-id_114335326	134.178	KLVJSOATFOVJIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001108
Cc1nc2n(c1C)C=CC2	SCHEMBL13207867,PC-id_59457810	134.178	ZPVHPHBOBQODIO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001109
n1(c2=CCC=c2nc1C)C	PC-id_54229219	134.178	QIAVLTOXPHNCPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001110
n1(c2=CCN=c2cc1C)C	PC-id_53776424	134.178	DSFSUQLYYRYJPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001111
n1(c2c(nc1C)CC=C2)C	PC-id_54266488	134.178	RHCRKTUYPGXYMZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001112
C=C1C=Cc2c1ccs2	PC-id_85754786,SCHEMBL18873468	134.198	HWIRIVPFIUCWOJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001113
C=C1C=Cc2c1scc2	SCHEMBL18873472	134.198	HXVKSFDWGCXWKL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001114
C1=CC(=N)C2=C1C=CS2	PC-id_153916466	135.014	IVEFWTNHBUJPIS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001115
C1=COC2=C1C(=CC2=O)N	PC-id_153785715	135.032	MONPYOVCDCZUQE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001116
CC1=CN2CC(=O)CC2=C1	PC-id_153280020	135.068	WDBOHBIKQIFCGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001117
[B](c1cnc2n1CCC2)O	PC-id_163633780	135.073	VIULETSPGWQDLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001118
CC1=Nn2cnc(c2C1)C	PC-id_163551865	135.08	UQXCYRGYTHJBJN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001119
Cc1nn2C(=NCc2c1)C	PC-id_163686073	135.08	JWTMXEQQHVAEDB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001120
C=CN1CC2=C(C1)NN=C2	PC-id_147784734	135.08	HILPOULJRIHTJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001121
CC1(CCC2=CC=CN21)C	PC-id_160743342	135.105	JZAKAGNVTXQOTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001122
CCC1=C2CCCN2C=C1	PC-id_153293049	135.105	WTQQOXRSUWYBBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001123
C1=CC(=O)n2c1cc(c2)O	PC-id_90720025	135.12	PBCRJAXJWDRBTE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001124
o1c2CC(=O)C(=C)c2nc1	PC-id_23530349	135.12	MWDZVVSYUYPROJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001125
Oc1c2n(cc1)C=CC2=O	PC-id_22214723	135.12	VBOGHSRBOQPDKA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001126
O=C1CC(=O)c2n1ccc2	PC-id_75295321,SCHEMBL17293324	135.12	NZLKZULMUFKEMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001127
C1CNc2c1c(no2)C#N	PC-id_137216911	135.123	ZPAQFFMXNDFLSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001128
C1CNc2noc(c12)C#N	PC-id_137226457	135.123	DJUKLSAGUCCHFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001129
Cp1ccc2c1C=C[CH]2	SCHEMBL13780364	135.123	COCSREOHBKPJQU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001130
N#Cc1n[nH]c2c1COC2	PC-id_105427827	135.123	ABQYYQXPGCJHMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001131
O1CCn2c1nc(c2)C#N	PC-id_82651097	135.123	RATICRDLNIJBGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001132
O1CCn2c1ncc2C#N	PC-id_82651101	135.123	NPYCNNHOCOZPTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001133
O1CCn2nc(cc12)C#N	PC-id_82651096	135.123	VAOOFVJRWZGVSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001134
O=C1Nc2c([nH]nc2)C1=C	PC-id_72263007	135.123	BBASBVQTFWJXED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001135
O=C1N=Cc2c1c[nH]c2N	PC-id_67948057,SCHEMBL9877142	135.123	LFQMUWQWVBNAQM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001136
O=CC1=Nn2ccnc2C1	EMOLS-id_330978875,MCULE-7136591054	135.123	GAIPZQCOKYOWNK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001137
C1Cn2c(c(nn2)C#N)N1	PC-id_137244112	135.127	CUMDHLZEXKMLPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001138
C1Cn2c(nc(n2)C#N)N1	PC-id_137225518	135.127	AYFUPZRGNKKUSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001139
c1nc2c([nH]1)C(=N)N=C2N	PC-id_137035543,SPECS-id_AT-225/JK06566	135.127	QBCRVVNSLNDXGX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001140
NC1=Nc2c(C1=N)cn[nH]2	PC-id_145725003	135.127	IZTYEYUSOGUQQD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001141
[CH2-]N1Cc2cccn2C1=O	PC-id_91057790	135.143	RVCLPIPBDNMPIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001142
O=C1n2c(C=[N+]1C)ccc2	PC-id_20783532	135.143	QGEMWZDRMVXCQK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001143
NC1=Cc2c([N]1)cc([nH]2)N	SCHEMBL6028134	135.147	UVHWFJBYSYEFGT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001144
C1Cc2ccc(C=O)n2C1	MCULE-1259121904,CNP0275297,ZINC22_24398176,PC-id_6428138,EMOLS-id_32964,HMDB0040008,SCHEMBL8822138	135.163	XDRGCZAFSAFSLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001145
C1Cc2c[nH]c(c2C1)C=O	SCHEMBL6271294,PC-id_86083229	135.163	KBJLLKXOCZIKHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001146
C1Cn2c(C)ccc2C1=O	MCULE-5932438112,PC-id_92546785	135.163	AXQRRYXJGHCTPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001147
C1Cn2c(c(C=O)cc2)C1	CNP0281636,UNPD76901,PC-id_214055,MCULE-8560932478,SCHEMBL1300219	135.163	BJPOKRZUBPDZRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001148
CC1c2c(C=N1)occ2C	SCHEMBL12970229,PC-id_88992527	135.163	RRWNJPKBEJOIRT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001149
CC1Cc2c(C1=O)c[nH]c2	PC-id_112714086	135.163	GZXRLQNXLBMXLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001150
Cc1cc2n(c1)CCC2=O	SCHEMBL18463831	135.163	CQMYJSINMCPMOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001151
CC1Cc2[nH]ccc2C1=O	EMOLS-id_252310775,MCULE-1081652043	135.163	ZQFWVUARCBFCFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001152
CC1Cn2c(C1=O)ccc2	SCHEMBL14249649	135.163	ZQZJQMWWWJCICD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001153
Cc1nc2c(o1)C(=C)CC2	PC-id_143341155	135.163	NSFQHEDGFNJTOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001154
C=Cc1onc2c1CCC2	PC-id_142903021	135.163	XOAQCDBJRYQVJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001155
C[C@H]1CC(=O)n2c1ccc2	PC-id_134831798	135.163	AXKMMUMGVVJEAC-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-001156
Cn1c2CCC(=O)c2cc1	MCULE-2696338355,ZINC22_18740311,EMOLS-id_259536123,PC-id_12416653	135.163	JAKFKNXNLYFZIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001157
Cn1cc2CCC(=O)c2c1	PC-id_83904861,EMOLS-id_323996576	135.163	SFYRHZVHZAVODQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001158
COC1C=Cn2c1ccc2	SCHEMBL20893812,PC-id_138539704	135.163	YOGMBLAKDFQLMD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001159
n12ccc(C)c1C(=O)CC2	EMOLS-id_43446222,MCULE-7659092753,UNPD57211,PC-id_3083931,CNP0301165	135.163	ZWFLNXOPXJMZTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001160
O=C1c2c([nH]c(c2)C)CC1	SCHEMBL17268379,PC-id_15324803	135.163	HSXOQMBCBQOJLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001161
O=C1c2n(ccc2CC1)C	PC-id_12416654	135.163	DMHWVIUIBMIQQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001162
O=C1c2[nH]cc(c2CC1)C	PC-id_55288346	135.163	SAPKGUNIXUNZBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001163
O=C1c2[nH]c(cc2CC1)C	SCHEMBL12844665,PC-id_68402436	135.163	YOAWFANDXAGYAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001164
O=C1Cc2c(C1)cc([nH]2)C	PC-id_70290296,SCHEMBL8156078	135.163	PWEGUUPVAYTKFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001165
O=C1Cc2c(C1)n(cc2)C	PC-id_45087619,EMOLS-id_76750767	135.163	RLOIJDXYMLXMIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001166
O=C1C(c2n(C1)ccc2)C	PC-id_22927511,SCHEMBL5549305	135.163	OAUQCHJPXDQODC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001167
O=C1CC(n2c1ccc2)C	PC-id_24976422	135.163	UAZYBEBPSSPRIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001168
OC1C=Cn2c1c(C)cc2	PC-id_140571399	135.163	NUPTVZXQKXNIEQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001169
O=C1C(n2c(C1)ccc2)C	PC-id_86136696	135.163	BYIRTXPWVMFKTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001170
O=C1n2c(C(C1)C)ccc2	PC-id_73003815	135.163	AXKMMUMGVVJEAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001171
O=C1n2c([C@@H](C1)C)ccc2	PC-id_11550016	135.163	AXKMMUMGVVJEAC-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001172
O=Cc1c2CCCc2[nH]c1	PC-id_82418652	135.163	UVCALHIPWBKZMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001173
OCC1c2n(C=C1)ccc2	PC-id_23365800,SCHEMBL7761473	135.163	BPSIDGOMPAZPFS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001174
O=CC1Cc2c(C1)cc[nH]2	PC-id_112489946	135.163	ADMMNWWZKUNBTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001175
OCc1ccc2n1C=CC2	PC-id_23365803,SCHEMBL7761476	135.163	IOFXQILIGMKVDA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001176
O=CC1CCc2[nH]ccc12	PC-id_82418651	135.163	JHRWBADSJITZDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001177
OCc1ccn2c1C=CC2	PC-id_138986896	135.163	MZORJPJWSYQUGA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001178
O=CC1CCn2c1ccc2	PC-id_59944563,SCHEMBL10798289	135.163	QGSTYIPXHDPBFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001179
O=Cc1cn2CCCc2c1	PC-id_83478876	135.163	MHNYSZFHMVEGLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001180
O=Cc1[nH]c2CCCc2c1	PC-id_82418648	135.163	XZVOCLREZAXCTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001181
CC1c2ncc(n2C=N1)C	SCHEMBL14791542,PC-id_89449952	135.166	BHEDVAKVBFFYFT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001182
CC1=C(C)Cn2c1cnn2	PC-id_12356911,SCHEMBL14498832	135.166	WOAURKKOLJHZGI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001183
CC1(C=Nc2ccnn12)C	PC-id_91077144	135.166	HNQFFTCDPKBXML-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001184
CC1=Nc2n(C1)nc(c2)C	PC-id_67341907,SCHEMBL2269726	135.166	WFXNXWOLJONPMW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001185
Cc1nn(c2=CCC=c12)N	PC-id_91527492	135.166	ULTWQDBUXRTPIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001186
C=Cc1cnn2c1NCC2	EMOLS-id_97184686	135.166	VEZUVRIPBHQRJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001187
CCC1=Nn2ccnc2C1	EMOLS-id_330971449,MCULE-6464407188	135.166	QQRAYLBIRLIMKH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001188
CCc1nnc2n1CC=C2	PC-id_89233363,SCHEMBL14048233	135.166	XRRXYOMYXLFMBZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001189
C[C@H]1N=Cn2c1ncc2C	SCHEMBL17263777,PC-id_118516508	135.166	BHEDVAKVBFFYFT-ZCFIWIBFSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001190
n12N=C(Cc1cc(n2)C)C	PC-id_18730426	135.166	PETDLLDMISTDIH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001191
n12nccc1N(CC2)C=C	PC-id_19971455	135.166	WAUWEUUKQVEACP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001192
n12N(CCc1ncc2)C=C	PC-id_57311391	135.166	YCJOMGRQCKAPOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001193
n12nnc(c1C(=CC2)C)C	PC-id_12356914	135.166	CBBRBSZFBCJXTQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001194
NN=C1CCn2c1ccc2	EMOLS-id_114335596	135.166	RKKNJXXPYVONLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001195
C1=CC(=S)c2c1cc[nH]2	PC-id_137253689	135.186	SPYOJXLUSLGCLB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001196
n12C(C=Cc1[n+](cc2)C)C	PC-id_20617616	135.186	XLIVXSSXEYDVKX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001197
n12C[N+](=Cc1ccc2C)C	PC-id_23380168	135.186	CCDJXNLFSYMQTR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001198
[N+]1(=Cc2n(C1)ccc2)CC	PC-id_23380179	135.186	CJXMWVWGVZNPGG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001199
[N+]1(=Cn2c(C1C)ccc2)C	PC-id_59599971	135.186	NASHTVODSRQGSW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001200
SC1=c2[nH]ccc2=C=C1	SCHEMBL19457237	135.186	HDDDTJQNQXEHAJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001201
CC1Cc2c(C1)cn(c2)C	PC-id_142052112	135.206	RGTADSVTELFTRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001202
Cc1cc2n(c1C)CCC2	PC-id_142529442	135.206	WSGBNRKCUFCEOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001203
CC1CC(c2c1[nH]cc2)C	SCHEMBL12338487,PC-id_23572839	135.206	UCMSKMMQKNCAOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001204
Cc1cc(c2n1CCC2)C	PC-id_142656818	135.206	HHFHWOVKURNLCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001205
CC1(C)CCc2c1cc[nH]2	SCHEMBL8335920,PC-id_20767746	135.206	SXZNLWGIUWSOKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001206
Cc1cn2c(c1C)CCC2	PC-id_142513094	135.206	SIBNGJDOZDUUBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001207
CC1Cn2c(C1C)ccc2	SCHEMBL14498849,PC-id_58890731	135.206	LPBBSTYIOVFJOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001208
Cc1cn(c2c1CCC2)C	PC-id_145769907	135.206	LLZZZHYZPKOXPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001209
Cc1[nH]c2c(c1C)CCC2	SCHEMBL13925998,PC-id_57571434	135.206	LDIVELLYGRVGTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001210
Cc1[nH]c(c2c1CCC2)C	SCHEMBL19323971	135.206	FBZJEBLCAVGBBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001211
CCC1CCn2c1ccc2	PC-id_134316939	135.206	JHHJVLJKSGVJLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001212
CCc1[nH]c2c(c1)CCC2	PC-id_101909183	135.206	HHMZLKDWHYIEGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001213
CC[C@@H]1CCn2c1ccc2	SCHEMBL15889984	135.206	JHHJVLJKSGVJLL-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001214
CC[C@H]1CCn2c1ccc2	SCHEMBL19937886	135.206	JHHJVLJKSGVJLL-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001215
C[C@@H]1CC(c2c1[nH]cc2)C	PC-id_134426515	135.206	UCMSKMMQKNCAOH-COBSHVIPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001216
C[C@@H]1CC(c2n1ccc2)C	SCHEMBL19015426	135.206	INMVOHAPZGSAQR-BRFYHDHCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001217
C[C@@H]1C[C@@H](c2c1[nH]cc2)C	PC-id_144253874,SCHEMBL20060119	135.206	UCMSKMMQKNCAOH-NKWVEPMBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001218
C[C@@H]1C[C@@H](c2n1ccc2)C	SCHEMBL19015424	135.206	INMVOHAPZGSAQR-JGVFFNPUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001219
C[C@@H]1Cn2c([C@@H]1C)ccc2	PC-id_118641706,SCHEMBL17413138	135.206	LPBBSTYIOVFJOE-HTQZYQBOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001220
n12C(CCc1ccc2C)C	PC-id_13172989	135.206	QEFDTDWWZUGAIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001221
n12CC(Cc1ccc2C)C	PC-id_13172990	135.206	WVHIBUZKBJWBLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001222
n12CC(Cc1ccc2)CC	PC-id_13572035	135.206	IJXBGZHPDQFBPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001223
n12c(CCC1)cc(c2)CC	PC-id_15720823	135.206	HTEXWMKNBZPUHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001224
n12CC(Cc1cc(c2)C)C	PC-id_76764508	135.206	IRXMDILDZQGBTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001225
[nH]1c2c(C(CC2)C)c(c1)C	PC-id_58748081	135.206	MTQYTKOGYFEIAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001226
[nH]1cc2CC(Cc2c1)(C)C	PC-id_86114232	135.206	VDFZOUNWDITDTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001227
BN1CCn2c1cc(n2)N	SCHEMBL12334709	135.963	XNHDWMIFWIIEBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001228
C1=CC(=O)C2=C1OC(=C2)O	PC-id_154020422	136.016	LKZPLUWPZNIXIP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001229
C1=CN2C(=C1)C(=O)C(=O)N2	PC-id_154321813	136.027	ZJZHGNWNESLKHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001230
CC1=CC2=C(S1)C=CC2	PC-id_153688124,SCHEMBL15274297	136.035	HEJDFCACIQXGLP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001231
CC1=CSC2=C1CC=C2	PC-id_153597605	136.035	AUPYOWOGANVBTC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001232
C[P+]1=CCc2ccc[c-]12	PC-id_164097431	136.044	XLMYWAWZHURLKR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001233
C1Cc2cn(nc2C1)[AlH2]	PC-id_163583255	136.058	GJIUKESIGDWVCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001234
C1=CN2C=CC(C2=C1)ON	PC-id_154107403	136.064	URYMJZSTLMZESK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001235
CN1CC2=CNC=C2C1=O	PC-id_154702201	136.064	UIYMEHFMZQTIMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001236
CN1C=CC2=C1CNC2=O	PC-id_154158747	136.064	XVVANSRBDBIROU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001237
CC1CC2=COC=C2C1C	PC-id_153342552	136.089	XHYQPFFXQBTUFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001238
CC1(CC2=C(C1)N=CN2)C	PC-id_154525968	136.1	PJNAWJSMTOQDGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001239
CC1(CC2=C(C1)NN=C2)C	PC-id_147036907	136.1	AYRHJEVODDEMLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001240
CC1(CCN2C1=CC=N2)C	PC-id_153946891	136.1	SXKXPQLASHCYHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001241
CC1=C(NC2=C1CCC2)N	PC-id_153337704	136.1	QCHHYQAYVYJBIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001242
CCC1=NC2=C(N1)CCC2	PC-id_147874385	136.1	HZFREFAHHNKBAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001243
C[C@@H]1Cc2cc(nn2C1)C	PC-id_163865530	136.1	PGHHJSPKFGLSIE-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001244
C1=c2cc(oc2=CC1=O)O	PC-id_136117123	136.105	HWRIZXMYYHNWCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001245
o1c2c(C(=O)CC2=O)cc1	PC-id_15743487	136.105	DIZRGJXWAIYRLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001246
c1c2c(c([nH]1)O)C=NC2=O	PC-id_135621913	136.108	TVWSOKNALLVRSP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001247
C1=c2c(=NC1=O)cc([nH]2)O	PC-id_136607390	136.108	ZBFGITZBZMKDMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001248
C1=C(C(=O)c2c1[nH]nc2)O	PC-id_136861672	136.108	KPSNIXCIAUYQHE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001249
c1c([nH]c2c1C(=O)N=C2)O	PC-id_136445359	136.108	VGBYMSSMFANUSE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001250
C1C(=O)C(=O)n2c1ncc2	PC-id_118388987,SCHEMBL17105957	136.108	WXGAEIQXWTZTTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001251
N#Cc1noc2c1CCO2	PC-id_92798775	136.108	DWINGWSTKOOBLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001252
O1Cc2c(onc2C#N)C1	PC-id_82418634	136.108	JAGMMGSXFCAHIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001253
O=C1c2c(NC1=O)c[nH]c2	PC-id_77789361	136.108	CALFPYOTRGAXAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001254
O=C1c2c(NC1=O)[nH]cc2	PC-id_86053567	136.108	HLRBQYNCOWJKDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001255
O=C1c2[nH]ccc2NC1=O	SCHEMBL17160841,PC-id_56615471	136.108	RVWPDFOSSXQXRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001256
O=C1C=Cc2c1[nH]c(=O)[nH]2	PC-id_102465443	136.108	VNXWKMLSZCOVIC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001257
O=C1C=Cc2c1[nH][nH]c2=O	PC-id_102465442	136.108	GUUSYIFGGDQFPY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001258
O=C1n2c(C(=O)N1)ccc2	PC-id_11990195,SCHEMBL5389982	136.108	RLAXHYNSNGHAAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001259
O=C1n2c(NC1=O)ccc2	SCHEMBL2171568,PC-id_67303895	136.108	CXKOWABINUGHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001260
O=C1NC(=O)c2c1c[nH]c2	PC-id_22146078,SCHEMBL239945	136.108	NKHUXLDXYURVLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001261
O=C1NC(=O)c2c1[nH]cc2	SCHEMBL5393650,PC-id_18442732	136.108	TVIWRNMTKUCHTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001262
O=c1[nH]c2=CC(=O)C=c2[nH]1	PC-id_45120727	136.108	IAHMRWFNTSHXME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001263
O=c1[nH][nH]c2c1C(=O)C=C2	PC-id_53427768	136.108	JBAHPGKCCYJYJE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001264
O1CCn2c1nnc2C#N	PC-id_82651111	136.111	HKCOECDVQUTASH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001265
O1CCn2nc(nc12)C#N	PC-id_82651110	136.111	CEWBJXNFPJWKCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001266
O=C1n2nc(cc2N=N1)C	PC-id_85571149	136.111	DKKHZSSXZMSQTF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001267
O=C1N=Cc2[nH]c(nc12)N	PC-id_45120733	136.111	IXYFVOFXKRNLGE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001268
C1(=N)c2n[nH]nc2N=C1N	PC-id_136458359,SCHEMBL12393339	136.115	USSZTHYHRYWENJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001269
n12c(N=C(N)C1=N)nnc2	PC-id_45087674	136.115	UUUASDFEQBHOBQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001270
Cp1ccc2c1CC=C2	SCHEMBL16316959,PC-id_117758381	136.131	ABQDGJLRLBSCCV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001271
OCC1=Cc2c([N]1)[nH]cn2	SCHEMBL6028918	136.131	DRPLXUZBEXMTFI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001272
NC1=Cc2c([N]1)nc([nH]2)N	SCHEMBL6027971	136.135	ARIAYICTXXKQOK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001273
CC1Cc2c(C1=O)cco2	PC-id_23397451,SCHEMBL13677130	136.148	BTAHIBKRIKQVEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001274
CC1Cc2c(C1=O)occ2	PC-id_112714087	136.148	CMIKVTFSXUTMJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001275
o1c2CCC(c2cc1)C=O	PC-id_82418628	136.148	JEIGZKGDDXAWRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001276
o1c2CC(Cc2cc1)C=O	PC-id_82418629	136.148	SNACRISJWBTVSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001277
o1c2CCCc2cc1C=O	SCHEMBL3544207,PC-id_21941405	136.148	FNMNBPVECXCION-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001278
o1c2c(CCC2=O)cc1C	PC-id_83904862	136.148	WXXBZFAYGXOQMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001279
o1c2CCC(=O)c2cc1C	PC-id_11607923	136.148	ITQXPHKVQQLUQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001280
o1c(c2CCCc2c1)C=O	PC-id_83815078	136.148	XUCKVTFJLZLBKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001281
o1cc2CC(C)C(=O)c2c1	PC-id_112714088,MCULE-7970635514	136.148	SFPDSGWBBKAMTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001282
c12C(C=O)CCn1ccn2	EMOLS-id_178073040,MCULE-3135933251	136.151	YXYKQJNZVOWALQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001283
c12C(=O)CCc1n(nc2)C	PC-id_13070781,EMOLS-id_46440451,ZINC22_18740324,MCULE-6876814993	136.151	GSAMEEHCCNXVQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001284
c12C(=O)CCn1c(cn2)C	MCULE-7173278525,EMOLS-id_207572975	136.151	YRRJTFKBGFEVAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001285
CC1c2c(cc[nH]2)C(=O)N1	SCHEMBL15231160,PC-id_89783930	136.151	YKTIXEVOPMCSLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001286
Cc1cc2c([nH]1)CNC2=O	PC-id_89793589,SCHEMBL15243642	136.151	GWZRNYQCBHSUGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001287
Cc1cc2C(=O)CCn2n1	EMOLS-id_324187453,PC-id_82593850	136.151	UXWZXZQUUGULDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001288
Cc1cc2n(c1)CNC2=O	PC-id_68222866,SCHEMBL12241443	136.151	UEHZPUHSIGMYRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001289
CC1=Cc2n(C1O)ccn2	PC-id_139312156,SCHEMBL21157321	136.151	VBYGWZBDZCUHBP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001290
CC1CC(=O)c2ccnn12	EMOLS-id_336565270	136.151	OBPMWLJDZIZENY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001291
CC1CC(=O)c2nccn12	MCULE-1992595065,PC-id_119057093,EMOLS-id_56971813	136.151	IQIIUWFCINCETH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001292
Cc1cn2c(c1)CNC2=O	SCHEMBL14864851,PC-id_89502576	136.151	YNKGBAMIYHWJHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001293
CC1Cn2nccc2C1=O	SCHEMBL18338552,EMOLS-id_195883188,PC-id_15356617,MCULE-3437313682	136.151	OKUOPCBAPYZUGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001294
CC1NC(=O)c2c1cc[nH]2	SCHEMBL12462452,PC-id_68274132	136.151	CYEXMQASHRLBAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001295
Cc1[nH]nc2C(=O)CCc12	EMOLS-id_336463867	136.151	KYWKKEASOGFGEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001296
C[C@@H]1CC(=O)c2nccn12	ZINC22_238853209	136.151	IQIIUWFCINCETH-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001297
C[C@H]1CC(=O)c2nccn12	ZINC22_238853211	136.151	IQIIUWFCINCETH-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001298
C[C@@H]1NC(=O)c2c1[nH]cc2	SCHEMBL15232043	136.151	YKTIXEVOPMCSLD-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001299
C[C@H]1NC(=O)c2cc[nH]c12	MCULE-1639395325,SCHEMBL15231179,EMOLS-id_320372914	136.151	YKTIXEVOPMCSLD-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001300
CN1Cc2c(C1=O)[nH]cc2	PC-id_144530468	136.151	BWGFXBIKJBEHOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001301
CN1Cc2cccn2C1=O	PC-id_91057791	136.151	JSLAHBLARDQXPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001302
Cn1cc2C(=O)CCc2n1	EMOLS-id_330455518,PC-id_83904864	136.151	NDXUERIYGJDKIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001303
Cn1cnc2C(=O)CCc12	PC-id_83872240,EMOLS-id_324055549	136.151	AUSXWPUZAUAQDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001304
n12CCCc1ncc2C=O	EMOLS-id_45493131,TIMTEC573723,PC-id_15313503,MCULE-7171965493,ZINC22_16124516	136.151	YLRKWLSCHSHVRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001305
Nc1cc2n(c1)CCC2=O	PC-id_15517457,SCHEMBL18418900,EMOLS-id_81834194	136.151	ZDCIVWAKJKKECN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001306
Nc1ccc2n1CCC2=O	EMOLS-id_81834192,PC-id_11434979	136.151	GGSPVBNAMKYRDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001307
NC1Cn2c(C1=O)ccc2	SCHEMBL16339532,PC-id_55289842	136.151	DEZUXOTWFHLLPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001308
O=C1c2c(n[nH]c2C)CC1	PC-id_83861319	136.151	JOLAHNMMEMTMGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001309
O=C1c2n(CC1)ccc2N	EMOLS-id_81834196,PC-id_15517458	136.151	KVWDDIMCQZJZTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001310
O=C1c2n(CC1)cnc2C	PC-id_23084016,SCHEMBL947140	136.151	LJSKPCBAJKQBHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001311
O=C1c2n(ccc2NC1)C	PC-id_83478933	136.151	YVBSXGGAKYYELB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001312
O=C1c2n(cnc2CC1)C	PC-id_83872239	136.151	FBENROPKELLTRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001313
O=C1c2n(ncc2CC1)C	PC-id_83872242	136.151	FAJSFRAGQZFHDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001314
O=C1CCc2c1[nH]c(n2)C	SCHEMBL21160958,PC-id_82418615	136.151	VTKQDXSVXWYAAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001315
O=C1CCc2c1nn(c2)C	PC-id_83872241	136.151	OHEDGRFMQCHOAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001316
O=C1C(Cc2[nH]ncc12)C	PC-id_83904865	136.151	BZGCTNYNTIPDHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001317
O=C1CCn2c1cnc2C	PC-id_82593851	136.151	VYDSZAYNSBCUBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001318
O=C1n2c(CN1)ccc2C	PC-id_12622358	136.151	HZQUSQUEQCUJON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001319
O=C1Nc2n(C1C)ccc2	PC-id_68301679,SCHEMBL12510428	136.151	PXBBYHTYJKXKLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001320
O=C1NCc2c1c([nH]c2)C	PC-id_82593848	136.151	RHLBGSKPGMCTDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001321
O=C1NCc2c1n(cc2)C	PC-id_83478934	136.151	DKAZSZSDFYFOKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001322
O=C1NCc2c1[nH]c(c2)C	PC-id_82418623	136.151	NUPQMZRTCBYQCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001323
O=Cc1c2CCCc2[nH]n1	EMOLS-id_44692668,ZINC22_20270526,EMOLS-id_96394707,PC-id_28808655,MCULE-9178750142,SCHEMBL2682940	136.151	OARNCDPKZBAFOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001324
O=Cc1cc2CCCn2n1	SCHEMBL2923732,PC-id_11286491,MCULE-3443600348,EMOLS-id_50264328,ZINC22_18482647	136.151	RTZLJDDSFCFBML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001325
O=Cc1cn2CCCc2n1	EMOLS-id_31593705,PC-id_21941426,ZINC22_15021913,MCULE-8132305551,SCHEMBL2927941	136.151	IFOAVNDPIZTQMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001326
O=Cc1cnn2c1CCC2	EMOLS-id_50273682,PC-id_72211730,ZINC22_24406063,MCULE-2413853171	136.151	LATQYZZGNADRLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001327
O=Cc1nc2CCCc2[nH]1	EMOLS-id_40129999,PC-id_63925565,MCULE-2268112195	136.151	LMLXQOYUVXQVLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001328
O=Cc1ncc2CCCn12	ZINC22_76573420,EMOLS-id_330823172,PC-id_83478932	136.151	DSMWLQNQKYRDQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001329
O=Cc1ncn2CCCc12	PC-id_15313498	136.151	PCZXRMWGEAWFLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001330
O=C[C@@H]1CCn2ccnc12	EMOLS-id_337407117	136.151	YXYKQJNZVOWALQ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001331
ON=C1CCn2c1ccc2	PC-id_297625,MCULE-1199192108,EMOLS-id_3405041	136.151	GLNIIKNEVSBOBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001332
O/N=C
/CCn2cccc12	ZINC22_104147641,PC-id_5383443,CoCoCo_3955751	136.151	GLNIIKNEVSBOBY-VURMDHGXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001333
O/N=C/1CCn2cccc12	ZINC22_17000129,PC-id_5996224,NSC168875,CoCoCo_3955750,LI_218477	136.151	GLNIIKNEVSBOBY-SOFGYWHQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001334
C1=c2c(=NC1N)cc([nH]2)N	PC-id_136402377	136.155	PXIAPENWMJHXIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001335
CC1=C(C)c2n(C1)nnn2	PC-id_58890748,SCHEMBL14498857	136.155	IEFOAQSPBNGTIC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001336
C=C1Cn2c(N1)nc(n2)C	SCHEMBL12796803,PC-id_135988897	136.155	VOVHOLAQWWJEOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001337
CC1=Nc2n(C1)ncc2N	PC-id_67341017,SCHEMBL2267182	136.155	ONXLFHMWRFLXOI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001338
CC1=Nc2n(C1)nc(c2)N	SCHEMBL2269737,PC-id_67341913	136.155	MXYCCTKKXWARFW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001339
Cc1nn2c(c1)N=NC2C	PC-id_66623084,SCHEMBL214169	136.155	MZIHFAWYLOSEKS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001340
Cc1nn2c(c1N)N=CC2	SCHEMBL2266956,PC-id_67340930	136.155	ICCSJDGKDJFYNU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001341
CCc1nnc2n1CC=N2	PC-id_89233367,SCHEMBL14048239	136.155	TURUNYDMOLKLCZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001342
CCC1N=Nc2n1ncc2	SCHEMBL2266957,PC-id_67340931	136.155	SKMFYPGUBQJLJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001343
CN=C1Cn2ccnc2N1	SCHEMBL17171681,PC-id_136961287	136.155	LMVYVHGNWMDQDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001344
n12nccc1C(=CC2N)N	PC-id_86100027	136.155	VUWFVMNWIUTHGP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001345
n12nc(c(c1CN=N2)C)C	PC-id_59872344	136.155	VIYUIHWAWCFLML-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001346
n12N=C(Cc1nc(n2)C)C	PC-id_18724706	136.155	VBHDXGPVIJLXOT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001347
n12N=C(Cc1nnc2C)C	PC-id_18724708	136.155	RRMDBJSTWHAXFN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001348
n12nc(nc1N=C(C2)C)C	PC-id_59119708	136.155	ATOQZGFPERSODW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001349
Nc1[nH]c2=NCC=c2c1N	PC-id_141134830	136.155	BCLKUCPYSVYGTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001350
NCC1=Nn2ccnc2C1	EMOLS-id_330978363,MCULE-3355480416	136.155	QXOFVGXNURZUDL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001351
NN=C1CCn2c1ncc2	EMOLS-id_114336301	136.155	YZCVHXAKBMXIOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001352
C1=CC(=O)c2c1scc2	PC-id_85754777	136.171	SEERSCPKLWMCDJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001353
O=C1C=Cc2c1csc2	NSC704116,CoCoCo_5770699,PC-id_396933,SCHEMBL7847601	136.171	KVCZYLMNMFQLIH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001354
O=C1C=Cc2c1scc2	SCHEMBL8303228,PC-id_19374744	136.171	KATZWUWYQRUTBJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001355
c1c2C=NC(=S)c2c[nH]1	SCHEMBL6690606,PC-id_136439990	136.174	PLUUFVCZQOIXLO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001356
[n+]12n(ncc1)C=CC2(C)C	PC-id_57609780	136.174	BACGOESBPIVGDH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001357
S=C1N=c2c(=C1)[nH]cc2	PC-id_141342109	136.174	WYZIMBAIBHXVIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001358
S=C1N=Cc2n1ccc2	PC-id_142310405	136.174	QJHKMRJLWKTYDG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001359
CC1CC(c2c1occ2)C	SCHEMBL12338491,PC-id_23572842	136.191	JYLFXYDTOLOEJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001360
CC1(C)Cc2c(C1)coc2	SCHEMBL18382134	136.191	XMYFUNOHCSGSMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001361
CCc1cc2c(o1)CCC2	SCHEMBL13455835,PC-id_89090344	136.191	ZRPMAETYMZLDQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001362
c12C(C)CCc1n(nc2)C	EMOLS-id_331019748,MCULE-3092743294	136.194	JRVABSZBHNPXFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001363
c12C(C)CCc1nn(C)c2	PC-id_142056565,EMOLS-id_331002791,MCULE-8062665197	136.194	QHQWSKHLQRGWNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001364
c12CCCn1ccc2CN	MCULE-7875023622,PC-id_92798742,ZINC22_24405725,EMOLS-id_50383220	136.194	KMXAMVSUGXWMCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001365
c12cccn1CCC2CN	PC-id_82651115,MCULE-3796769574,EMOLS-id_70105273	136.194	IRDQXGITPZGNDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001366
c12C(NC)CCc1c[nH]c2	MCULE-1142485990,PC-id_83904867,EMOLS-id_207614791	136.194	HRWJITUGZIOUKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001367
CC1Cc2c(C1N)c[nH]c2	PC-id_112714089	136.194	WJIXGIVTMKYWBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001368
Cc1cc2n(c1N)CCC2	PC-id_92543631	136.194	DHXRZNZLKSCTBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001369
CC1Cc2[nH]ccc2C1N	MCULE-4237650842,EMOLS-id_252310996	136.194	HQHUZOXGRNLBDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001370
CC1CC(c2c1[nH]cn2)C	SCHEMBL12338485,PC-id_23572837	136.194	BDZLDJHJFOVSHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001371
CC1CC(c2c1[nH]nc2)C	SCHEMBL17736442,PC-id_23572836	136.194	AMFFQBMOYMCGAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001372
CC1CCc2c1n[nH]c2C	PC-id_89729332,SCHEMBL15160591	136.194	BGIYVSDQRAFGEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001373
CC1(C)Cc2ccnn2C1	EMOLS-id_195883180,PC-id_21941477,MCULE-2076661200,SCHEMBL18338516	136.194	XSTHAMSNEGCYGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001374
CC1CCc2cnc(n12)C	PC-id_135080317	136.194	MFRYIHZDOPNBJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001375
CC1CC(c2n1cnc2)C	SCHEMBL14306905,PC-id_89300548	136.194	BBLZUQNQIMQWCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001376
CC1CC(c2n1ncc2)C	SCHEMBL12550479,PC-id_58282612	136.194	LTFZKWIXTQMMJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001377
CC1(C)Cc2nccn2C1	MCULE-5477381471,SCHEMBL18338532,EMOLS-id_195883185	136.194	LLZXUHXVGGEKBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001378
CC1(C)CCc2c[nH]nc12	SCHEMBL2186804,EMOLS-id_337430232,PC-id_21881993	136.194	WKISPTZMSMLRSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001379
Cc1cc(n2c1CCC2)N	PC-id_98760213	136.194	ZUGZAAVAQHIILG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001380
CC1CCn2c1nc(c2)C	PC-id_90723247	136.194	PZEKMZHPKFGXSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001381
CC1Cn2c(C1)c(cn2)C	SCHEMBL20861336,PC-id_138510170	136.194	MDYXSNMTYQUADH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001382
Cc1nc2c(n1C)CCC2	SCHEMBL10252360,PC-id_59430883	136.194	MLRGMEMVTKSEQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001383
Cc1nc2n(c1C)CCC2	MCULE-9470822977,EMOLS-id_300739495,ZINC22_18315396,SCHEMBL14278538,PC-id_11240511	136.194	AUTCZSBZWWIGAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001384
Cc1n(C)nc2c1CCC2	PC-id_23279521,SCHEMBL13160725	136.194	ZGWFSZNMWKDJGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001385
Cc1nn2c(c1)C(CC2)C	PC-id_117865431,SCHEMBL16455022	136.194	ZWAQFRBVAGDAJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001386
Cc1nn2c(c1C)CCC2	SCHEMBL13075463,PC-id_58961074	136.194	MOCDVIRDMGMMKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001387
Cc1nn(c2c1CCC2)C	PC-id_23279518,SCHEMBL13159948	136.194	JAODHLDBBMBDSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001388
CCC1CCc2c1[nH]cn2	SCHEMBL11923509,PC-id_68167653	136.194	YSQQHBLFASTXGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001389
CCC1CCn2c1ccn2	PC-id_141430585	136.194	QWIONOMPCZBKCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001390
CCc1cn2CCCc2n1	SCHEMBL13455831,PC-id_89090343	136.194	ZWPFCFKVXUQHNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001391
CCc1cnc2n1CCC2	PC-id_68071907,SCHEMBL10234138	136.194	WBLZLTPNPQZSGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001392
CCc1cnn2c1CCC2	PC-id_68310114,SCHEMBL12526128	136.194	GNBIXJYHAODNDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001393
CCc1ncc2n1CCC2	PC-id_89233369,SCHEMBL14048241	136.194	IYSQGLDWEYXTMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001394
CCc1[nH]nc2c1CCC2	SCHEMBL14048246,SCHEMBL20975613,PC-id_59820660	136.194	WFOHSNNIXFFZMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001395
CCc1nn2c(c1)CCC2	SCHEMBL13455921,PC-id_89090400	136.194	CKCBTBVYTIHJGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001396
C[C@@H]1C[C@@H](c2c1[nH]nc2)C	SCHEMBL19250880	136.194	AMFFQBMOYMCGAT-NTSWFWBYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001397
C[C@H]1C[C@H](c2n1ncc2)C	SCHEMBL19250882	136.194	LTFZKWIXTQMMJE-RQJHMYQMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001398
C[C@@H]1[C@H](C)Cn2c1ncc2	SCHEMBL17413137,PC-id_58714645	136.194	WNAYAOQRRDYHJJ-RNFRBKRXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001399
CCn1cc2CCCc2n1	PC-id_121279675,EMOLS-id_324387673,MCULE-3260885537,SCHEMBL17682605	136.194	UCLKELQURBAHCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001400
CCn1ncc2CCCc12	EMOLS-id_324383582,MCULE-7215539613	136.194	QHKUUBPJDHYBHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001401
CN1Cc2c(C1)cn(c2)C	SCHEMBL15856670,PC-id_22087041	136.194	JTVKVXPCABUPTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001402
CN1Cc2c(C1)n(cc2)C	PC-id_134864177	136.194	ZKMZQEQZVIQFAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001403
Cn1cc2CC[C@@H](N)c2c1	EMOLS-id_323994529	136.194	UYYGUKJAQYMEAM-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001404
Cn1cc2CC[C@H](N)c2c1	EMOLS-id_323994785	136.194	UYYGUKJAQYMEAM-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001405
Cn1cc2CCC(N)c2c1	EMOLS-id_323994273,PC-id_83904868	136.194	UYYGUKJAQYMEAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001406
n12c(CCC1)cc(c2)CN	PC-id_82593853	136.194	HQXUPRXMIXTVQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001407
n12CCCc1ccc2CN	PC-id_82593858	136.194	XTGIQLCMLYXPCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001408
n12CC(C(c1cnc2)C)C	PC-id_21061746	136.194	HVUGXCSEVWZFPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001409
n12CC(C(c1ncc2)C)C	PC-id_21061747	136.194	WNAYAOQRRDYHJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001410
n12C(CC(N)c1ccc2)C	PC-id_83635316	136.194	CLEUJKVDVOPASZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001411
n12C[C@H]([C@H](c1cnc2)C)C	PC-id_58714726	136.194	HVUGXCSEVWZFPQ-RNFRBKRXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001412
n12nccc1C(C(C2)C)C	PC-id_21061745	136.194	HYODMHUODUCALD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001413
n12nccc1[C@@H]([C@@H](C2)C)C	PC-id_58714664	136.194	HYODMHUODUCALD-RNFRBKRXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001414
n1(c2c(CNC2)cc1C)C	PC-id_83478951	136.194	SMLYSPVHDVHMRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001415
N1Cc2c(C1)c[nH]c2CC	PC-id_82418600	136.194	UDGBBPXZMQUFMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001416
N1(CCc2n(ccc12)C)C	PC-id_85557761	136.194	KEFATJNXWRXQBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001417
N1[C@H](c2[nH]c(cc2C1)C)C	PC-id_83668419	136.194	XWZZSMUEWTUNNL-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-001418
NCc1c[nH]c2c1CCC2	PC-id_92798774	136.194	OGCHXPMBVHHHHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001419
NC[C@@H]1CCn2c1ccc2	PC-id_92797444	136.194	IRDQXGITPZGNDN-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001420
NC[C@H]1CCn2c1ccc2	PC-id_92797445	136.194	IRDQXGITPZGNDN-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001421
[nH]1c2c(CCC2)cc1CN	PC-id_82593857	136.194	SCINGOSLBUMBCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001422
[nH]1c2c(CCC2)c(N)c1C	PC-id_84762477	136.194	CNQHPCWGPBSKRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001423
[nH]1c2c(CNC2)cc1CC	PC-id_82418598	136.194	HLZQLORYBSTEMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001424
[nH]1cc2C(CCc2c1)CN	PC-id_83904866	136.194	QJWBSBBEBZTLSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001425
Cc1c2C=CCc2cs1	PC-id_91612639	136.214	WAAAXFVJQUIZEU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001426
CC1=Cc2c(C1)ccs2	SCHEMBL5583447,PC-id_12307584	136.214	FYIUAKUVXISASG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001427
CC1=Cc2c(C1)csc2	PC-id_17936835,SCHEMBL6547386	136.214	YMXFLDNVZFLBQA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001428
CC1=Cc2c(C1)scc2	PC-id_12307582,SCHEMBL4625362	136.214	FJCDLNCCABQOOD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001429
Cc1cc2c(s1)CC=C2	SCHEMBL15274294	136.214	NTCYLVQGJHHPPB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001430
C=C1CCc2c1scc2	SCHEMBL13845108,PC-id_89185976	136.214	UJNRDCMUGBASPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001431
s1c2c([Si]C=C2)cc1	PC-id_85754774	136.246	AXMCKZMLQDIZAY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001432
C1=C2C=NC(=O)C2=CS1	PC-id_154025179	136.994	ILWIDXAYMKJZAV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001433
C1=CN2C(=C1)C(=O)OC2=O	PC-id_154331127	137.011	DMCSAHYFALFWDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001434
C1=C2C(=O)NC(=O)N2C=N1	PC-id_153893190	137.023	DHZOBNOTHRQAMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001435
C1=C(NC2=NC(=O)N=C21)O	PC-id_154152308	137.023	RFPSVIOOSRXZBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001436
CC1=CCC2=C1SC=N2	PC-id_161201942	137.03	GHROSSMBGQBDMA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001437
CC1=NC2=C(S1)CC=C2	PC-id_163746384	137.03	LMGADTXXCLELKS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001438
CC1=NC2=CSC=C2C1	PC-id_154518805	137.03	MGTFAGDUJXHDTN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001439
CC1=NCC2=C1C=CS2	PC-id_161201943	137.03	NHCLAQNVVMPPBZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001440
C1C2=C(C=CN2CO1)C=O	PC-id_153943022	137.048	SUDXXAKLTRCGQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001441
C1C2=CC(=CN2CO1)C=O	PC-id_153964357	137.048	ZQBHWUZMDSTUQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001442
C1CC2=C(N=NN2C1)C=O	EMOLS-id_330804236,MCULE-8948370551,PC-id_162341900	137.059	NMFGKYYJNYKBSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001443
CN1C=NC2=C1CNC2=O	PC-id_154077416	137.059	KOWRLTYMXONPOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001444
O=C1n2ncnc2N=C1[O-]	PC-id_51394483	137.076	YQVIWKFOGCKJAV-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-001445
C1CC2=NN=C(N2C1)C[NH-]	PC-id_154471323	137.083	YPGKNQJDNCUEGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001446
CC1=CN2CC(CC2=C1)O	PC-id_153280094	137.084	AJAHWBXOSFRPAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001447
COC1CC2=CC=CN2C1	PC-id_153280060	137.084	VHIXJDLSQYXJSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001448
N#Cc1occ2c1OCO2	PC-id_140713881	137.093	ZVIUDGKCVSUXAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001449
o1c2c(C(=O)NC2=O)cc1	PC-id_53440143	137.093	WCGIJSLXZQQJPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001450
o1cc2c(C(=O)NC2=O)c1	PC-id_18442731,SCHEMBL5393784	137.093	ZMEOAJYBWAJZFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001451
O1C(=O)c2c(c[nH]c2)C1=O	PC-id_53983988,SCHEMBL10551654	137.093	KAERAPFXWNLMKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001452
O1C(=O)c2[nH]ccc2C1=O	SCHEMBL311991,PC-id_54231050	137.093	QJHCDLBCMGXFGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001453
O=C1Oc2c(C1=O)[nH]cc2	PC-id_141375372	137.093	MEPGVKCTNVPXTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001454
CC1C2=C(CN1)C=NN2C	EMOLS-id_337768745,PC-id_162361667	137.095	WQDYBUIVSQRVJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001455
CC1=C2N(CCN2C=N1)C	PC-id_154933501	137.095	GNGJEWSSLNCSJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001456
CC1C2=NN(C=C2CN1)C	EMOLS-id_337769001,PC-id_150614118	137.095	IUNIJFLNUIEUHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001457
CC1=NNC2=C1CC[C@H]2N	PC-id_153404062,EMOLS-id_324284775	137.095	RXZADDUYTGILBH-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001458
CC1=NNC2=C1CC[C@@H]2N	PC-id_153453440,EMOLS-id_324285287	137.095	RXZADDUYTGILBH-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001459
C[C@H]1CCC2=NC(=NN12)C	PC-id_164835683	137.095	LILMKTHAGXAQLK-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001460
C[C@@H]1CCC2=NN=C(N12)C	PC-id_155157351	137.095	CNEFVRFWFZRCEI-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001461
CN1C=NC2=C1CC[C@@H]2N	PC-id_161586402	137.095	ISJUNSVQXBUWFX-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001462
N1C(=O)C(=O)n2c1ncc2	SCHEMBL11243310,PC-id_70545477	137.096	BWSZWZSCIZQKPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001463
O=C1NC(=O)c2c1[nH]cn2	PC-id_122517693,SCHEMBL18050892	137.096	DAMMDTZWEIDRNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001464
O=C1NC(=O)c2c1[nH]nc2	SCHEMBL20272441,SCHEMBL9297171,PC-id_19102688	137.096	CPPSELCSKOZONN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001465
[O-]C1=NC(=O)n2[n+]1ccc2	PC-id_14041874	137.096	DUXFCLPWENJUBN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001466
OC1=Cc2c([N]1)cc([nH]2)O	SCHEMBL6027875	137.116	XEZRNIHRSBZQHK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001467
O=C1C=C([n+]2n1ccc2)O	PC-id_101485049	137.116	IBQHCBZIQXNZTA-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-001468
OC1=C[N]c2c1[nH]cc2O	SCHEMBL6027870	137.116	VOSSVAWXGHPHKM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001469
Pc1n2c(C=CC2)cc1	PC-id_67356214	137.119	XMJYRUNXNSKATO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001470
O=C1n2c(C(=O)C1([2H])[2H])ccc2	PC-id_49794006	137.132	NZLKZULMUFKEMI-APZFVMQVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001471
C1C=Cc2c([nH]c(c12)O)O	PC-id_90952905	137.136	SVXCGPNRWGRVBU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001472
CC1Cc2c(C1=O)cno2	PC-id_112714090	137.136	SZKCXQQBLHDFQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001473
Cc1cc2c(o1)C(=O)CN2	PC-id_98012873	137.136	HCUWSPNAVLRKDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001474
Cc1oc2c(c1)C(=O)NC2	PC-id_57589958,SCHEMBL279436	137.136	IDJYWKXSIIAFPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001475
CC=C1Oc2c(O1)c[nH]c2	PC-id_141069634	137.136	TUVZOYFFAQCYMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001476
CN1Cc2c(C1=O)occ2	PC-id_58784565,SCHEMBL14602507	137.136	RSGLMLPBDCZAMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001477
n1c(C=O)oc2CCCc12	PC-id_84618182,ZINC22_18491505,EMOLS-id_42837077,MCULE-6527336676	137.136	DKULZUUICPMBSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001478
o1c2c(CNC2=O)cc1C	PC-id_82418592	137.136	QXUGUGNJYKXBAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001479
o1c2c(C(N)CC2=O)cc1	PC-id_15743485	137.136	JLHSDGNLKSIWSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001480
o1c2C(N)CC(=O)c2cc1	PC-id_84049399	137.136	MZAYPSMXWFZTLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001481
o1c2CN(C(=O)c2cc1)C	PC-id_60101881	137.136	IUUSEJDWKRGQRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001482
o1c(c2c(CNC2=O)c1)C	PC-id_82593862	137.136	FADDRXKRIOISNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001483
o1nc2CCCc2c1C=O	PC-id_83858716	137.136	CIUSSCONMDAXFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001484
o1nc(c2c1CCC2=O)C	PC-id_13012671,SCHEMBL13145564	137.136	LFWDIGNQOSVTSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001485
OC1c2n(C=C1O)ccc2	SCHEMBL2269769,PC-id_67341930	137.136	YBLSODUFOASBLQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001486
OC1c2n(C(=O)C1)ccc2	PC-id_10606794	137.136	QJLBRKYTTCWWJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001487
Oc1c2n(C(=O)CC2)cc1	PC-id_44551254	137.136	MHSWGFIEMFAJLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001488
OC1=C(O)c2n(C1)ccc2	SCHEMBL2269771,PC-id_67341931	137.136	MAGWHCJOXCYUFT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001489
O=C1n2c(CC1)ccc2O	PC-id_57227260	137.136	SEFCOEAGCNXLOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001490
O=Cc1ccc2n1CCO2	PC-id_92798734	137.136	WYLHEYXNMJMLDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001491
O=Cc1[nH]cc2c1OCC2	PC-id_92798747	137.136	BYAZVKBPORTLNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001492
O=Cc1noc2c1CCC2	EMOLS-id_315260308,MCULE-9444373230,PC-id_28808650,ZINC22_20270523	137.136	LLWSLAFYWVMZEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001493
O=Cc1oc2c(c1)CNC2	PC-id_92545343	137.136	CNZSBTSCXAHDIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001494
O[C@H]1CC(=O)n2c1ccc2	PC-id_102161872	137.136	QJLBRKYTTCWWJB-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-001495
ON=C1CCc2c1coc2	PC-id_118422253,SCHEMBL17146128	137.136	MWQQMMAEEZLYRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001496
c12C(=O)CCc1nnn2C	PC-id_83872250,EMOLS-id_320424734,MCULE-3747289712	137.139	DWIUUCYJDURTAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001497
c12NCCn1ncc2C=O	SCHEMBL4204220,MCULE-5502676582,PC-id_136117254,EMOLS-id_207621107	137.139	FRIDSHKVHUNWLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001498
c12NCCn1nc(C=O)c2	MCULE-5670085376,EMOLS-id_320439319	137.139	CUJKBKKRTGEWEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001499
C1Cn2ccnc2C1=NO	EMOLS-id_114336818,PC-id_137214185	137.139	TXUJUDKUNJHLOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001500
C1Cn2ccnc2/C/1=NO	PC-id_137269677	137.139	TXUJUDKUNJHLOV-YVMONPNESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001501
C1Cn2cc(nc2N1)C=O	PC-id_136920806	137.139	YFCQBPBSDIVSEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001502
C1CNc2n[nH]c(c12)C=O	PC-id_136920805	137.139	WJMKKQAICCYEJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001503
C1CN(n2c1ncc2)C=O	PC-id_87787072,SCHEMBL5148611	137.139	LFHJCSCOICODCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001504
Cc1cc2NC(=O)Cn2n1	ZINC22_1535647235,EMOLS-id_315231900,MCULE-8266939693	137.139	FRZMIPNZZBOVRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001505
Cc1cc2n(n1)CNC2=O	PC-id_89069661,SCHEMBL13361440	137.139	YVBQRSRPPYSPLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001506
Cc1cc2n(n1)C(=O)NC2	SCHEMBL13361441,PC-id_89069662	137.139	JSQQDYDKPQEEFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001507
CC1CC(=O)c2ncnn12	MCULE-5597287915,EMOLS-id_75508628,PC-id_121552362	137.139	WEQAMWJVGYKLNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001508
CC1NC(=O)c2c1[nH]cn2	PC-id_140298994	137.139	QQKALVLUNVHRLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001509
C[C@H]1CC(=O)c2ncnn12	ZINC22_307328688	137.139	WEQAMWJVGYKLNA-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001510
C[C@@H]1CC(=O)c2ncnn12	ZINC22_307328689	137.139	WEQAMWJVGYKLNA-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001511
Cn1c2CC(=O)Nc2cn1	MCULE-4646169897,PC-id_82418565	137.139	NWSVBMMATZTQJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001512
CN1Cc2c(C1=O)nc[nH]2	PC-id_68167720,SCHEMBL11923830	137.139	XWPAPEVHGKAOIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001513
CN1Cc2c(C1=O)[nH]nc2	SCHEMBL15500324,PC-id_89990467	137.139	OMXWUPGMPUXRMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001514
CN1Cc2n(C1=O)cnc2	PC-id_144812339	137.139	ZFFNZWHITSKYMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001515
Cn1nc2c(c1)C(=O)NC2	PC-id_84048309,EMOLS-id_265093926	137.139	JFFLCNDZWHRIKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001516
Cn1ncc2c1C(=O)NC2	PC-id_141428178	137.139	HLRNTAIVLIMVAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001517
n12CCCc1nnc2C=O	MCULE-9545570526,PC-id_82418579,EMOLS-id_42819638,ZINC22_24398276	137.139	GUUXIRCMORKOCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001518
Nc1cn2c(c1)CNC2=O	SCHEMBL18617009	137.139	WLUHOQDOUUSGIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001519
O=C1CCc2n(nnc12)C	PC-id_83872251	137.139	KWKBPZZUFLYPLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001520
O=C1CCn2c1cnc2N	PC-id_82593873	137.139	MTYWXOULFQSCLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001521
O=C1CCn2ncc(N)c12	PC-id_82593872	137.139	XNGCZNXSORYTNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001522
O=C1C(N)Cc2[nH]cnc12	PC-id_82418558	137.139	CIEFXHGAXDSOCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001523
O=C1C(N)Cn2c1cnc2	PC-id_84648296	137.139	DJWMKGUIUVCJKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001524
O=C1C(N)Cn2c1ncc2	PC-id_84648295	137.139	XBJCWVGHUGPKKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001525
O=C1C(N)Cn2nccc12	PC-id_82418559	137.139	WKSJTRLLWHLEKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001526
O=C1Nc2c(n[nH]c2C)C1	PC-id_83478965	137.139	PTRMRYSPUOFCFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001527
O=C1Nc2ncn(c2C1)C	PC-id_82418582	137.139	QKSLKDIXORYBQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001528
O=C1NCc2c1c[nH]c2N	PC-id_98760215	137.139	TWGGOGLEIOBHIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001529
O=C1NCc2c1c(N)[nH]c2	PC-id_98760214	137.139	QDZXWAQTFIXALL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001530
O=C1NCc2c1[nH]c(c2)N	PC-id_98774514	137.139	ISFZQHYZFCPLJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001531
O=C1NCc2c1[nH]nc2C	SCHEMBL19133894	137.139	YFJPYOALIMFTSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001532
O=C1NCc2c1nn(c2)C	PC-id_83815083	137.139	ZFVMCNMTFRFIGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001533
O=C1NCc2[nH]c(nc12)C	PC-id_82418567	137.139	ADXRRMUEUDFFPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001534
O=C1NCc2n(ncc12)C	PC-id_82418566	137.139	BFXXAKQZSQFNRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001535
O=C1NCc2n[nH]c(c12)C	PC-id_13035777	137.139	SEQDCTDLSDOZOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001536
O=Cc1nn2CCCc2n1	SCHEMBL20909962,PC-id_82418572	137.139	OQVCVDOEEZMACS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001537
OCC1=Nn2ccnc2C1	MCULE-9259670744,EMOLS-id_330978619	137.139	AIGUMABISZFPAD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001538
O=Cc1n[nH]c2c1CNC2	PC-id_105427916,SCHEMBL17224415	137.139	YKRBEPJUYFQYPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001539
O=Cc1n[nH]c2CCNc12	PC-id_82418563	137.139	TUEVWHHXONUUSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001540
O=CN1Cc2c(C1)c[nH]n2	EMOLS-id_97148380,MCULE-8707375013	137.139	XUHNFGFWZIKYDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001541
O=CN1CCn2c1ccn2	PC-id_15077730,SCHEMBL5148608	137.139	IKOZRLMKIMXYCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001542
ON=C1CCn2c1cnc2	PC-id_21608157	137.139	LNIWJFRBBAAOBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001543
O/N=C
/CCn2c1cnc2	PC-id_45087719	137.139	LNIWJFRBBAAOBE-YVMONPNESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001544
O/N=C/1CCn2c1cnc2	PC-id_92045430	137.139	LNIWJFRBBAAOBE-VMPITWQZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001545
CC1N=Nc2n1ncc2N	SCHEMBL2268559,PC-id_67341503	137.143	OAUDPDWRTRXCNC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001546
n12nccc1C(N=C2N)N	PC-id_77642903	137.143	OTGSEKBFIBTTAQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001547
n12nc(N)c(N)c1N=CC2	PC-id_69733281,SCHEMBL6288480	137.143	HIQNLDQXUXPRNS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001548
O=C1C=c2c(=N1)scc2	SCHEMBL6631189,PC-id_18627013	137.159	CEVSJBPJNQKMSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001549
O=C1N=c2c(=C1)scc2	SCHEMBL3049630,PC-id_68493199	137.159	VQKQUECQZUKDHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001550
O=C1N=Cc2c1ccs2	PC-id_121408901,SCHEMBL17837293	137.159	KHVSDEGLMIURSH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001551
O=C1N=Cc2c1scc2	PC-id_141190472	137.159	XZUGQHGVEAQWIO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-001552
c12CC(Cc1coc2)NC	EMOLS-id_70105777,MCULE-2456802327,PC-id_121207477	137.179	JOXJQIAWHTVNNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001553
c12cccn1CCC2CO	MCULE-9762004220,PC-id_86134259	137.179	IVRLJTYZCFIRPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001554
C1Cc2c[nH]c(c2C1)CO	PC-id_89216585,SCHEMBL13977550	137.179	IIOKOVQMIMLEQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001555
CC1Cc2c(C1N)cco2	PC-id_112714093	137.179	NASWQIQEEBFUMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001556
CC1Cc2c(C1N)coc2	PC-id_112714092	137.179	RQVDZDSVEUILFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001557
CC1Cc2c(C1N)occ2	PC-id_112714091	137.179	AKUXBRISKQKFMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001558
CC1CC(c2c1cno2)C	PC-id_137434036,SCHEMBL20670368	137.179	RYTQKVVQBFWTRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001559
CC1CC(c2c1ocn2)C	PC-id_23572841,SCHEMBL12338489	137.179	YBQMWYUYDLGWMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001560
CC1CCc2c1onc2C	SCHEMBL15160562,PC-id_89729308	137.179	PDTHJJFQQGIHSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001561
Cc1[nH]c(c2c1COC2)C	SCHEMBL19323690	137.179	CGZFKTOCVFFIIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001562
Cc1[nH]c(c2c1OCC2)C	SCHEMBL19323691	137.179	GAEWDDVRYMWUCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001563
CCc1c2CCCc2no1	PC-id_89233364,SCHEMBL14048234	137.179	RAYYPUSOSGWMQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001564
Cn1cc2CC[C@H](O)c2c1	EMOLS-id_323997088	137.179	CBOJDAHETLICBE-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001565
Cn1cc2CC[C@@H](O)c2c1	EMOLS-id_323997344	137.179	CBOJDAHETLICBE-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001566
Cn1cc2CCC(O)c2c1	EMOLS-id_323996832	137.179	CBOJDAHETLICBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001567
COn1ccc2c1CCC2	PC-id_144671479	137.179	DPSKBVZKMAPOMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001568
o1c2CCCc2cc1CN	PC-id_82593879	137.179	HGTCCPIXJFTMDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001569
o1c2c(CCC2)c(c1)CN	PC-id_83478970	137.179	UEMMMUUGJXVJSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001570
o1c2C(CCc2cc1)CN	PC-id_83904870	137.179	UBCXDELUGDKEID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001571
o1c2c(CCC2)c(N)c1C	PC-id_82418549	137.179	MQNLLMVEPUHRII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001572
o1c2c(C(CC2)CN)cc1	PC-id_82418548	137.179	OSOKQMUXFKOHTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001573
o1c2CCC(N)c2cc1C	PC-id_83904876	137.179	SPFKVASVKUFZFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001574
o1c2CCC(NC)c2cc1	PC-id_83904873	137.179	FMPWDJQTCDKLNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001575
o1c2C(N)CCc2cc1C	PC-id_83904874	137.179	GDXJTOMVFJLGOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001576
o1c2C(NC)CCc2cc1	PC-id_83904871	137.179	QBOJLHGTQDQGFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001577
o1cc2C(CCc2c1)CN	PC-id_83904869	137.179	QZRJPYONQJBLNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001578
o1c(c2c(CNC2)c1)CC	PC-id_82418554	137.179	NWDLGIBQKQCBTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001579
o1cc2C(NC)CCc2c1	PC-id_83904872	137.179	FSNBPOCQWHFNSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001580
OC1c2n(CC1)ccc2C	PC-id_53463932	137.179	PWKFUIKIRBWTLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001581
OCc1c2n(CCC2)cc1	NSC243041,GD-id_ZINC05368638,CoCoCo_5552990,LI_219734,PC-id_99564	137.179	DPOGOYOVPDMVBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001582
O[C@H]1c2n(CC1)ccc2C	PC-id_206663	137.179	PWKFUIKIRBWTLB-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001583
O[C@@H]1c2n(CC1)ccc2C	PC-id_21127669	137.179	PWKFUIKIRBWTLB-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001584
s1c2C[CH+]C(=O)c2cc1	PC-id_57675546	137.179	HNEMITSXTIIIJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001585
c12CCCc1[nH]nc2NC	MCULE-1870185349,EMOLS-id_44479154,PC-id_58824960,ZINC22_24391329,EMOLS-id_39559674	137.182	VTMUKWNJAGVOQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001586
c12CCCc1n(nc2N)C	SCHEMBL20939482,EMOLS-id_25607893,PC-id_24219844,MCULE-1137027005,ZINC22_23118922,CoCoCo_1114010	137.182	BEIGXEFEWNKGEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001587
c12CN(Cc1nn(C)c2)C	PC-id_22087040,MCULE-8335502127,SCHEMBL17624280,EMOLS-id_317874677	137.182	DQVDUFXRKFSPQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001588
c12C(N)CCc1[nH]nc2C	EMOLS-id_50074190,PC-id_66489442,MCULE-2298241729	137.182	BIJIVHBNKSVHNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001589
c12C(N)CCc1n(nc2)C	EMOLS-id_46440443,PC-id_83861580,MCULE-5420450034	137.182	PQOSGTMYILOBTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001590
c12C(N)CCc1nn(C)c2	PC-id_82418535,MCULE-4754500130,EMOLS-id_54823602	137.182	NCHFHZHWSQSTHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001591
c12C(N)CC(C)n1ccn2	MCULE-9296061663,PC-id_121552784,EMOLS-id_62513964	137.182	PYXWSCKZGIFTQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001592
c1(N)n(C)nc2CCCc12	SCHEMBL12335143,CoCoCo_585134,ZINC22_12504958,PC-id_16227065,EMOLS-id_2871019,MCULE-1232521745	137.182	GEWGAHBJEYYFKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001593
Cc1c2CN(Cc2n[nH]1)C	SCHEMBL13283478,PC-id_89053582	137.182	KVTRMTYFBQHURC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001594
Cc1c2CN(Cn2nc1)C	SCHEMBL15983227,PC-id_90366595	137.182	BJLMWUFGQAQUME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001595
CC1Cc2c(C1)nc([nH]2)N	PC-id_18722112,SCHEMBL8228215	137.182	ADEBMZFLBGKIDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001596
CC1CC(c2c1[nH]nn2)C	PC-id_23572835,SCHEMBL13395788	137.182	IIOFNMJAOKINIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001597
CC1CCc2c(N)n[nH]c12	MCULE-9292725903,SCHEMBL6542629,EMOLS-id_44479161,PC-id_11298000	137.182	HTFJAMSHMCIJMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001598
CC1CCc2n1c(C)nn2	SCHEMBL21152439,PC-id_139307632	137.182	CNEFVRFWFZRCEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001599
CC1CCc2[nH]nc(N)c12	SCHEMBL12293347,EMOLS-id_316042243,PC-id_55265394	137.182	JNIQNWIHPGXJQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001600
CC1CCn2c1nc(n2)C	PC-id_91469530	137.182	SPELJTDSQYOUCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001601
CC1CCn2c1nnc2C	PC-id_58940795,SCHEMBL12877420	137.182	JVACHHLBSVDKDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001602
CC1(C)Cn2c(C1)ncn2	SCHEMBL11419697,PC-id_70582641	137.182	VLOCZYMMZLCPRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001603
Cc1cn2CCC(c2n1)N	PC-id_91378351	137.182	ZBWARDKPTSMKCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001604
CC1Cn2c(c(cn2)C)N1	PC-id_136920801	137.182	AXUVFPCNSDDMJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001605
Cc1cn2c(n1)NCC2C	PC-id_145222592	137.182	LSCFHCUVXBJSSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001606
Cc1cn2CN(Cc2n1)C	PC-id_90366593,SCHEMBL15983225	137.182	AUUXTECLHPTRPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001607
Cc1cnc2C(N)CCn12	MCULE-3039336785,EMOLS-id_195324756	137.182	FSAAMNZLSKTNSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001608
Cc1cnc2n1CC[C@@H]2N	ZINC22_18727485	137.182	FSAAMNZLSKTNSW-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001609
Cc1cnc2n1CC[C@H]2N	ZINC22_18727487	137.182	FSAAMNZLSKTNSW-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001610
Cc1cnc2n1CN(C2)C	SCHEMBL15983228,PC-id_90366596	137.182	MZRWTOVRRXHRGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001611
CC1(C)NCc2c1n[nH]c2	SCHEMBL2926044,PC-id_68443488	137.182	UWBPZNBXBACAEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001612
Cc1c(N)nn2CCCc12	EMOLS-id_324138492,PC-id_141731646	137.182	WNCSQANBACLWCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001613
Cc1nc2c(n1C)CNC2	SCHEMBL17380085,PC-id_82418516	137.182	KGPLRORCXJEBQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001614
Cc1nc2n(c1C)CCN2	PC-id_145545302	137.182	BUFXCYKYULUIII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001615
CC1NCc2c1cnn2C	PC-id_83872253,EMOLS-id_330473693	137.182	UXQXODNROHAFRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001616
CC1NCc2c1n[nH]c2C	PC-id_146158209	137.182	SFJYIMWSNRYJDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001617
CC1NCc2nn(C)cc12	PC-id_82418525,EMOLS-id_330461829	137.182	KYSVKOARQSNYAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001618
Cc1nc(N)n2CCCc12	MCULE-1064737753,EMOLS-id_323917275	137.182	XQGUDQVIIIJHEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001619
Cc1nn2c(c1)N(CC2)C	SCHEMBL14930317	137.182	AAHGETPLZFKUHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001620
Cc1nn2CN(Cc2c1)C	SCHEMBL15983224,PC-id_90366592	137.182	CZUKEMSPOZYMFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001621
Cc1nn(c2c1CCC2)N	SCHEMBL19312297,PC-id_10749241	137.182	MXWMGTJQEGIGOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001622
Cc1nn(c2c1CCN2)C	PC-id_136308591	137.182	BDBILBOAQHVUGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001623
Cc1nn(C)c2CNCc12	EMOLS-id_168891314,SCHEMBL20417067,PC-id_83845376	137.182	XRVVLHCNRGDWNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001624
CCc1cnn2CCNc12	EMOLS-id_97184827,MCULE-6808587888	137.182	ICFJOOQYPZAEFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001625
CCC1NCc2cn[nH]c12	MCULE-3675028347,PC-id_134714770,EMOLS-id_316172896	137.182	SIEZRJPDOUQOHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001626
CCc1nn2CCNc2c1	PC-id_136328619	137.182	NJEPSIJJJNOLFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001627
CCc1nnc2CCCn12	PC-id_44630585,SCHEMBL14048238,MCULE-1560678414,EMOLS-id_48662705	137.182	MKGHAGPRXBNODQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001628
CCc1n[nH]c2CNCc12	MCULE-8994458582,SCHEMBL19297180,EMOLS-id_316172129,PC-id_83845377	137.182	NCORMRKXYWWJRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001629
CCc1nnn2c1CCC2	PC-id_142619245	137.182	TYVQUEJCYRHZNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001630
CC[C@@H]1c2c(CN1)[nH]nc2	SCHEMBL19988028,PC-id_134360959	137.182	JZSXJMIOBXBADR-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001631
C[C@@H]1CCc2c1c(N)n[nH]2	PC-id_67518821,SCHEMBL2738615	137.182	JNIQNWIHPGXJQC-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001632
C[C@@H]1CCc2c(N)n[nH]c12	PC-id_92546780,ZINC22_18724539	137.182	HTFJAMSHMCIJMB-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001633
C[C@H]1CCc2c(N)n[nH]c12	ZINC22_18724541,PC-id_92546781	137.182	HTFJAMSHMCIJMB-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001634
C[C@@H]1NCc2c(C)n[nH]c12	MCULE-4147612851,EMOLS-id_316170848,PC-id_134714766	137.182	SFJYIMWSNRYJDN-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001635
C[C@H]1NCc2c(C)n[nH]c12	MCULE-8280127326,PC-id_134714768,EMOLS-id_316172128	137.182	SFJYIMWSNRYJDN-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001636
CCN1Cc2c(C1)cn[nH]2	SCHEMBL13355034,PC-id_89066049	137.182	HRMTVGHEEXSXBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001637
CCN1Cc2c(C1)nc[nH]2	SCHEMBL13563260,PC-id_89117713	137.182	MEHWXAAKKKSVPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001638
CN1Cc2c(C1)c([nH]c2)N	PC-id_141855181	137.182	YRMCJLDRZXKNBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001639
CN1Cc2c(C1)n(cn2)C	SCHEMBL19117021	137.182	FDMHYIQIXREFBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001640
CN1Cc2c(C1)nc([nH]2)C	PC-id_58207114,SCHEMBL12765094	137.182	YJTVUGKABSHQOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001641
CN1Cc2c(C1)n(nc2)C	PC-id_22087043,SCHEMBL10280071	137.182	LGUWNDCFPITYFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001642
Cn1cc2CC(N)Cc2n1	EMOLS-id_261002600,PC-id_82418537	137.182	LRBFZKZQSRAYKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001643
Cn1cc2c(n1)CC[C@@H]2N	PC-id_96637504,ZINC22_82410765	137.182	NCHFHZHWSQSTHT-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001644
Cn1cc2c(n1)CC[C@H]2N	PC-id_96637505,ZINC22_82410766	137.182	NCHFHZHWSQSTHT-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001645
CN1CCn2c1ccc2N	PC-id_92546784	137.182	VFCHEVZQHNHTOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001646
CN1CCn2c1cnc2C	SCHEMBL12616586,PC-id_68328916	137.182	FSPUCNUYNQESTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001647
CN1CCn2c1ncc2C	PC-id_144024748	137.182	UZRWATDTZLAMQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001648
Cn1c(C)nc2c1CCN2	PC-id_92544873	137.182	DIWLTZPQWPMYPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001649
Cn1cnc2[C@H](N)CCc12	EMOLS-id_337153226	137.182	ISJUNSVQXBUWFX-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001650
Cn1ncc2c1CC[C@@H]2N	PC-id_92546797,ZINC22_18739352	137.182	PQOSGTMYILOBTR-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001651
Cn1ncc2c1CC[C@H]2N	ZINC22_18739354,PC-id_92546798	137.182	PQOSGTMYILOBTR-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001652
Cn1[nH]c2c(c1=N)CCC2	CoCoCo_4330015,MCULE-5773555609,EMOLS-id_11692407,CoCoCo_4330016,ZINC22_102158324	137.182	JNZXAPWZWFDLFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001653
CNC1CCn2c1ncc2	PC-id_83826204,EMOLS-id_96772013	137.182	GKOHATFAKOYSPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001654
CNc1cnn2c1CCC2	SCHEMBL18879068	137.182	SOTYDQCOLZUQKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001655
n12c(CCC1)c(nc2)CN	PC-id_82418518	137.182	XTFGTVXAJDFDRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001656
n12CCC(c1cnc2)CN	PC-id_82418519	137.182	MGRPBRMSCRFOPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001657
n12C(CCc1cnc2)CN	PC-id_82418521	137.182	WJTSTSBOSYHOAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001658
n12CCCc1cnc2CN	PC-id_82651124	137.182	HVJMEVBOSOXXEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001659
n12CCCc1nc(c2)CN	SCHEMBL19507225,PC-id_82593902	137.182	GJQHKESZXBMGRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001660
n12CC(N)Cc1c(nc2)C	PC-id_82418520	137.182	BCSVDOAGMBNEOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001661
n12CC(N)Cc1ncc2C	PC-id_82418541	137.182	QFPJYCMZFRFQPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001662
n12CC(N)Cc1nc(c2)C	PC-id_82418542	137.182	ANENXEHKVJVNFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001663
n12ncc(c1C(N)CC2)C	PC-id_84648310	137.182	AFCDEVAXTNYBRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001664
n12nc(cc1C(N)CC2)C	PC-id_84648311	137.182	ZTOGHHFHMRGPOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001665
n12nc(c(N)c1CCC2)C	PC-id_82593884	137.182	JKZJZWYGUCFWBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001666
n1c2CCCc2c(CN)[nH]1	CoCoCo_6626141,ZINC22_19088449,EMOLS-id_816550,EMOLS-id_114337343,PC-id_23005644,CoCoCo_6626142,MCULE-2671744955	137.182	JHFGJFWHCHWKFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001667
n1(c2CCC(N)c2nc1)C	PC-id_83872260	137.182	ISJUNSVQXBUWFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001668
n1(c2CC(N)Cc2nc1)C	PC-id_82418515	137.182	RZSSNGJIFYFMGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001669
n1(c2C(N)CCc2nc1)C	PC-id_83872257	137.182	UFXFNIUCJSEQKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001670
N1C(c2c([nH]nc2)C1)(C)C	PC-id_82651126	137.182	QBZPCWUFTGAMDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001671
N1Cc2c(nn(c2)CC)C1	PC-id_82418524	137.182	ODYSLLWFCVDBIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001672
N1Cc2c(nn(c2C)C)C1	PC-id_82418526	137.182	BKWDGLAHPOGJEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001673
N1Cc2[nH]c(cc2C1)CN	PC-id_84762496	137.182	LCDXSGUJAXYAIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001674
N1(CCn2nccc12)CC	PC-id_19971400	137.182	XMOYUAXFXSPZFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001675
N1(n2c(ncc2)CC1)CC	PC-id_57117606	137.182	NFWXWFGOMCXRFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001676
n1(nc2c(CCC2)c1C)N	PC-id_10820586	137.182	SVKOVROLGCQVAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001677
n1(nc2C(N)CCc2c1)C	PC-id_82418536	137.182	DYUNYVDCRWTDPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001678
n1(ncc2c1CNC2)CC	PC-id_84751057	137.182	NSPRUWRFYWDHPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001679
n1(ncc2c1C(N)CC2)C	PC-id_83872262	137.182	OSZSFPKYZCULJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001680
n1(ncc2CC(N)Cc12)C	PC-id_84648315	137.182	AQEQGTBWCYMPCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001681
n1[nH]c(c2CCC(N)c12)C	PC-id_82418531	137.182	RXZADDUYTGILBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001682
N(C1CCc2c1[nH]nc2)C	PC-id_83872261	137.182	RCSFPICRYZSCEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001683
N(C1CCc2[nH]cnc12)C	PC-id_83872259	137.182	LKGVXKLNOHACSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001684
N(C1CCc2[nH]ncc12)C	PC-id_83861632	137.182	SJBFAPRCNFJGCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001685
Nc1nc2c(n1C)CCC2	PC-id_121597690	137.182	OSFRUMFZBUJPGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001686
NCc1cc2CCCn2n1	EMOLS-id_84831474,PC-id_82593903,ZINC22_18482263,MCULE-5130792626	137.182	ZMHIKERLIAEXLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001687
NCc1ccn2c1NCC2	PC-id_98774511	137.182	MRTPMMASBPCYQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001688
NCC1CCn2ccnc12	PC-id_45087734,MCULE-7874499275,EMOLS-id_81821876	137.182	XJFKRCSGYIPOOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001689
NCc1cnc2CCCn12	PC-id_82593904,EMOLS-id_97371632,ZINC22_24397769,MCULE-9314620800	137.182	BHHFKETYUKQRQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001690
NCc1cnn2c1CCC2	PC-id_72213309,EMOLS-id_96448871,ZINC22_24405830,MCULE-6262815112	137.182	YBQHCOCESJJECE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001691
NCc1nc2CCCc2[nH]1	PC-id_63927582,EMOLS-id_40130411,MCULE-6816899711	137.182	UAIUTMKWEMZIAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001692
NC[C@H]1CCc2nccn12	EMOLS-id_331186395	137.182	UTHAFUPDLOVPMO-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001693
NC[C@@H]1CCc2nccn12	EMOLS-id_331342595	137.182	UTHAFUPDLOVPMO-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001694
NC[C@@H]1CCn2c1ncc2	PC-id_92797448	137.182	XJFKRCSGYIPOOT-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001695
NC[C@H]1CCn2c1ncc2	PC-id_92797449	137.182	XJFKRCSGYIPOOT-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001696
[nH]1c2CC(Cc2nc1)CN	PC-id_22961973	137.182	KMHVGGVMLBVVBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001697
[nH]1c2CCC(c2nc1)CN	PC-id_83872258	137.182	DQYNOFQCBWHHDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001698
[nH]1c2CCC(N)c2nc1C	PC-id_82593899	137.182	FELVIKNZEVQCFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001699
[nH]1ncc2CCC(c12)CN	PC-id_82418514	137.182	BQUVSBDDDYEOSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001700
[nH]1ncc2CC(Cc12)CN	PC-id_82418532	137.182	SMTIZYKCLNOKTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001701
[nH]1ncc2C(CCc12)CN	PC-id_82418538	137.182	WNXWMCCLAHWXLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001702
[nH]1ncc2C(N)C(Cc12)C	PC-id_83904877	137.182	OIVVDFVGBDJAGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001703
[nH]1nc(N)c2CC(Cc12)C	PC-id_55265395	137.182	CVHQFLFVCAGEPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001704
Cc1c2CCC[n+]2cn1C	PC-id_136506320	137.202	DZNGECOORCQKFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001705
CC1C=c2c(=N1)scc2	SCHEMBL19202277	137.202	CKEJSXJMEQYMGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001706
C=C1CCc2c1scn2	PC-id_68061431,SCHEMBL10196367	137.202	IYXANKPEYYKFIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001707
C[C@@H]1CCn2c1[n+](C)cc2	PC-id_139102940	137.202	BYOMEXFWJJGNHC-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001708
CCn1cc[n+]2c1CCC2	PC-id_102157240	137.202	ZDGZVZOPSGEBIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001709
CC[n+]1c[nH]c2c1CCC2	SCHEMBL12462106,PC-id_68273923	137.202	PWSOSUVGDQJSLN-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-001710
N=C1CCc2c1scc2	SCHEMBL10263479,PC-id_68081364	137.202	LSEOQWDXUCBIKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001711
s1c2=NCC(=c2cc1)C	PC-id_20674259	137.202	QLUYINNQFVOMBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001712
C1=C2C(=O)NC(=O)N2N=N1	PC-id_154304198	138.018	RDORALZGUONQMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001713
C1C2=CC=CN2C(=N)S1	PC-id_153971045	138.025	JTNGQNKBNHBVKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001714
C1C(=CC2=C1N=CS2)N	PC-id_154047285	138.025	QMVRNRFWKCYGJR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001715
C1C=CC2=C1SC(=N2)N	PC-id_154001231	138.025	RNMWOWIIAJPKNA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001716
CC1=NC2=C(S1)CC=N2	PC-id_164090081	138.025	XFHKJTYWVHMISA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001717
C1CC2=C(C1[NH-])C=CS2	PC-id_154494366	138.038	MQUJZZIMLGBJRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001718
C1C(CC2=C1C=CS2)[NH-]	PC-id_154454816	138.038	AQHAKELWERLAQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001719
C1C2=C(CN1C=O)OC=N2	PC-id_153225939	138.043	WOPGLHYONRSINX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001720
C1C=CN2C1=C(C(=O)N2)O	PC-id_154021747	138.043	YGGIHUPWURYGBI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001721
C[C@@H]1CCC2=C1C=CS2	PC-id_155138498	138.05	ZVNAUTIROGKVRY-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001722
C[C@H]1CCC2=C1C=CS2	PC-id_155138500	138.05	ZVNAUTIROGKVRY-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-001723
CC1=NC=C2N1C(=O)[NH2+]C2	PC-id_149127003	138.066	RBCCHWHQYCOEFT-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-001724
CC1C(Oc2c1cco2)C	PC-id_163532981	138.068	DUOJKQRYAFHYST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001725
o1c2c(cc1)C(=O)OC2=O	SCHEMBL699539,PC-id_53835577	138.078	GFKDQJQGVVQLHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001726
O1c2c(occ2)C(=O)C1=O	PC-id_69300338,SCHEMBL5068966	138.078	QOCAQZYMCJDEJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001727
O1C(=O)c2c(C1=O)coc2	SCHEMBL8654978,PC-id_54365991	138.078	UPUUBJGBXAPMOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001728
CN1C2=C(C=N1)C(CC2)O	MCULE-1834697739,PC-id_162341864,EMOLS-id_330782988	138.079	HGKJHROXPWDHSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001729
O1C(=O)c2[nH]cnc2C1=O	PC-id_53963587,SCHEMBL5742205	138.081	JMPPWQNLHKDICK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001730
O1C(=O)c2[nH]ncc2C1=O	PC-id_84648322	138.081	ISYDMCQJRDRFIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001731
o1nc2c(C(=O)NC2=O)c1	SCHEMBL9278151,PC-id_67812802	138.081	ZFXCVTBGNBYFQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001732
O=C1C=c2c(=N1)c(=O)[nH]o2	PC-id_146019746	138.081	RNODNBWYGQRJHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001733
O=C1OC(=O)c2n1ccn2	PC-id_139710540	138.081	NMMDOABNRYWYHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001734
c12c([nH]c(=O)[nH]1)N=NC2=O	PC-id_137176297	138.084	SEFKESUSRRAINM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001735
c12n[nH]nc1C(=O)NC2=O	PC-id_90686066	138.084	PBZACKJOIKXPSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001736
n12ncnc1NC(=O)C2=O	TIMTEC578312,CoCoCo_5520281,PC-id_5383638,MCULE-2552096813,NSC177951,ZINC22_3165666	138.084	YQVIWKFOGCKJAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001737
O=c1[nH]c2=NC(=O)N=c2[nH]1	PC-id_76851348	138.084	VEVISTZYKZMGSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001738
O=C1[n+]2n(C(=O)N1)ccc2	PC-id_21574611	138.104	DUXFCLPWENJUBN-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-001739
CC=C1Oc2c(O1)coc2	PC-id_141069633	138.121	YEUAEJXFZCBDDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001740
o1c2c(C(O)CC2=O)cc1	PC-id_15743486	138.121	MUOMZHIOIHIEMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001741
O1Cc2c(c(oc2)C)C1=O	PC-id_15635448	138.121	RQTQCANWEYQRHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001742
O=Cc1cc2c(o1)OCC2	PC-id_92545344	138.121	HBGGIFXQKYSDAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001743
O=Cc1occ2c1CCO2	PC-id_92798740	138.121	FPWCBJZYSYFZIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001744
C1c2cc(nn2CO1)C=O	PC-id_91667222	138.124	YDDPJRNAWQAGPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001745
C1c2c(cnn2CO1)C=O	PC-id_91667224	138.124	CGLQFLFALRGPID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001746
c1c2OCCn2nc1C=O	PC-id_21941483,MCULE-9831880512,EMOLS-id_316793638,SCHEMBL3544998	138.124	HRWUBJRFWUWTLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001747
C1COc2c(cnn12)C=O	PC-id_91667223	138.124	AUEOQFYIMFUFEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001748
C1COc2n1c(C=O)nc2	PC-id_92798736	138.124	ZDDPPSLMAWHJFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001749
Nc1cc2c(o1)C(=O)NC2	PC-id_98774510	138.124	BSMTYVJVOXMTOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001750
O1Cc2c([nH]nc2C=O)C1	PC-id_83862945	138.124	AFPCDSJUEWQXEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001751
O1Cc2n[nH]c(c2C1=O)C	PC-id_23009728	138.124	WMYZPXQDEHPDOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001752
O1CCc2c1n[nH]c2C=O	PC-id_82418491	138.124	ROCYGLCKORYFQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001753
O1CCn2c1ncc2C=O	PC-id_82418499	138.124	YSIGAJMISGOKJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001754
O1CCn2c1nc(c2)C=O	PC-id_82418502	138.124	YJYJKUCYTPDSEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001755
o1nc(c2c1CNC2=O)C	PC-id_10441762	138.124	HPAIPVQPTVYRDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001756
o1nc(c2NC(=O)Cc12)C	PC-id_83478994	138.124	DFSVBWALZBTBTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001757
OC1Cc2[nH]cnc2C1=O	PC-id_82593909	138.124	DCJYGMWQWNLELI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001758
O=C1CCc2n1c(=O)[nH]c2	PC-id_70471847,SCHEMBL10915902	138.124	XNWNGRGOKMQITG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001759
O=C1CCn2c1c[nH]c2=O	PC-id_82593908	138.124	DYNHHIYXLRMNSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001760
O=C1Cn2c(C1)c[nH]c2=O	PC-id_83668847	138.124	JBCBRKSCMSGDQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001761
Oc1n2n(C=CC2)c(=O)c1	PC-id_57059011	138.124	XOPCRSWZLIFNBU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001762
O=C1NCc2c1c(N)oc2	PC-id_98760221	138.124	OVAQLHFILXSPEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001763
OC1NC(=O)n2c1ccc2	PC-id_141300320	138.124	PUHWJMOEBZFEQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001764
c12nncn1CCC2=NO	MCULE-1815587600,PC-id_137176329	138.127	XHSFCZDRIBANNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001765
C1Cn2c(c(nn2)C=O)N1	PC-id_136305594	138.127	BUOSKDMIIIGAHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001766
C1Cn2c(nc(n2)C=O)N1	PC-id_136305592	138.127	IJRJSQWXHYDWLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001767
C1Cn2cnnc2/C/1=N/O	PC-id_136877422	138.127	XHSFCZDRIBANNY-XBXARRHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001768
C1C(=O)Nc2c(cnn12)N	PC-id_136300660	138.127	AHMKIVCFKBDOLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001769
Cc1nnc2n1CC(=O)N2	SCHEMBL12824077,PC-id_136473914	138.127	DKBBNEQFVFZGKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001770
Cc1nnc2n1CNC2=O	SCHEMBL12510354,PC-id_68301634	138.127	FPUHZERHSKOAIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001771
Cc1nnc2n1NC(=O)C2	PC-id_68301635,SCHEMBL12510355	138.127	XIYIBPZLJQFJRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001772
O=C1Cn2c(N1)nc(n2)C	PC-id_89066175,SCHEMBL13355532	138.127	NWSHCCBRSKTXEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001773
O=C1NCc2c1c(N)n[nH]2	SCHEMBL630714,PC-id_59136221	138.127	QXKUTHVGOKKKOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001774
O=C1NCc2n1c(C)nn2	SCHEMBL19292906	138.127	LYZMIQCWWLWNRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001775
O=C1NCc2n1c(N)cn2	PC-id_96637475	138.127	KFZGOISXXXCGKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001776
O/N=C
/CCn2cnnc12	PC-id_136920499,EMOLS-id_49181704,ZINC22_110749931	138.127	XHSFCZDRIBANNY-YWEYNIOJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001777
Cp1cc2c(c1)CCC2	SCHEMBL15290381,PC-id_89169726	138.147	YSJZUKHBPBGXHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001778
Cp1ccc2c1CCC2	SCHEMBL16315934,PC-id_117757542	138.147	OVIUXTWKVSMKPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001779
O=C1N=c2c(=N1)ccs2	PC-id_18671992,SCHEMBL7248898	138.147	JSJSGNJTQQYMIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001780
O=C1N=Cc2c1ncs2	PC-id_140577338	138.147	PNTVMXGNJPESLF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001781
O=C1N=Cc2c1scn2	SCHEMBL18170419,PC-id_122639054	138.147	XZSQMIOCNJSTST-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001782
O=C1N=Nc2c1csc2	PC-id_141273197	138.147	KQYAKNBUIZJAEA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001783
C1=c2c(=NC1=S)nn[nH]2	SCHEMBL10709003,PC-id_88654908	138.15	OTUAOAVSVIOSMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001784
c1c2N=NC(=S)n2nc1	PC-id_88220606,SCHEMBL7916659	138.15	LNFFOOXTZYWBTN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001785
CC1(C)COc2c1occ2	SCHEMBL20887755,PC-id_138534146	138.164	RDOMSJFKYHXUCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001786
C[C@@H]1CCc2c(occ12)O	PC-id_135042925	138.164	WKAGLXTXFMCKIX-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001787
o1c2CCCc2cc1CO	PC-id_21941394,SCHEMBL3548213	138.164	CVQFTBUWHNKHHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001788
Oc1cc2c(o1)CC[C@H]2C	PC-id_139598327	138.164	HSTRKUBKNYENIP-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001789
c12C(C)CCc1n[nH]c2O	EMOLS-id_37156495,MCULE-9153058912,PC-id_73994894	138.167	MPTFLCLKEBBFEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001790
c12C(CO)CCn1ccn2	MCULE-8399278886,EMOLS-id_178073053	138.167	SAMATAYOGGEBQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001791
c12COCc1nn(CC)c2	MCULE-7150044082,EMOLS-id_324400978	138.167	JVFZXMOJBIDCQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001792
c12C(O)CCc1[nH]nc2C	PC-id_66489160,MCULE-2792202304,EMOLS-id_50074104	138.167	QNKMQDBMVILGTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001793
C1(N)c2cnoc2CC1C	MCULE-9399358435,PC-id_112714094	138.167	VXRQQZXWIQGCEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001794
Cc1c2CN(Cc2no1)C	PC-id_89584439,SCHEMBL14971178	138.167	NMJUQXYUSMUKDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001795
CC1Cc2c(N1)c(no2)C	PC-id_145580841	138.167	NRQCLTZBEWFFGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001796
CC1(C)Cn2nccc2O1	EMOLS-id_337653430,ZINC22_2113474289,MCULE-8087469141	138.167	DXWVGOVGUBHYNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001797
CC1CC(O)c2nccn12	MCULE-5819965601,EMOLS-id_54862643,PC-id_119032019	138.167	QYVWIEFTVUCTOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001798
Cc1cc(=O)n2n1CCC2	PC-id_57831891,SCHEMBL13680328	138.167	CDMUGKVVKYLTQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001799
Cc1cn2c(c1N)OCC2	PC-id_92544694	138.167	FKAPMGZIWDTNGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001800
CC1Cn2c(O1)nc(c2)C	PC-id_142882440	138.167	BNIDWWXAQYNFDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001801
Cc1cnc2C(O)CCn12	MCULE-4787853168,EMOLS-id_177259874	138.167	UJQJHDXGDROYJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001802
Cc1cnc2n1CC[C@@H]2O	ZINC22_18727501	138.167	UJQJHDXGDROYJZ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001803
Cc1cnc2n1CC[C@H]2O	ZINC22_18727503	138.167	UJQJHDXGDROYJZ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001804
Cc1cnn2c1OCC2C	PC-id_88992542,SCHEMBL12970257	138.167	JADMGPODLUSWRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001805
CC1(C)Oc2n(C1)ccn2	PC-id_102219207	138.167	COYHIZHFUIMWGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001806
Cc1nc2c(o1)N(CC2)C	SCHEMBL171968,PC-id_66612853	138.167	AROFOFXMJMVRKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001807
Cc1nc2n(c1C)CCO2	PC-id_145545310	138.167	OMRPWHJJNOFFIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001808
CC1NCc2c1noc2C	PC-id_117985825,SCHEMBL16608507	138.167	MEIBUXVWNLRXAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001809
Cc1n(C)nc2c1COC2	PC-id_118243947,SCHEMBL16920676	138.167	OXXWSZKFUYYUHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001810
Cc1nn2c(c1C)OCC2	SCHEMBL16920690,PC-id_118243959	138.167	UHLVOLKWTOKELC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001811
Cc1nn(c2c1CCO2)C	SCHEMBL16920682,PC-id_82593953	138.167	KAGLELIXHREJQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001812
Cc1nn(c2c1COC2)C	PC-id_118243949,SCHEMBL16920679	138.167	GEISFFZEOWLHSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001813
Cc1nn(c2c1OCC2)C	SCHEMBL16920685,PC-id_118243954	138.167	VQZDFQSDTZWRGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001814
CC1(O)CCn2c1cnc2	PC-id_59168919,SCHEMBL10249973	138.167	IHUGVDDTLHFIMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001815
CC1(O)CCn2ccnc12	EMOLS-id_337685995	138.167	WPAPDOIRWDGLKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001816
CCC1Cn2c(O1)ncc2	PC-id_142882439	138.167	KDJXGZHIFANXKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001817
CCc1cnn2c1OCC2	SCHEMBL18464378	138.167	RUWKLTIYYMYVEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001818
CCc1nc2c(o1)NCC2	SCHEMBL14934051,PC-id_89555655	138.167	SAECPCOWGJACRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001819
C[C@@H]1CCc2c1c(=O)[nH][nH]2	PC-id_95757436	138.167	MPTFLCLKEBBFEQ-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001820
C[C@H]1CCc2c1c(=O)[nH][nH]2	PC-id_95757437	138.167	MPTFLCLKEBBFEQ-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001821
C[C@@H]1C[C@@H](c2c1non2)C	PC-id_68062106,SCHEMBL10200766	138.167	QZFQOYUJALGTGH-SYDPRGILSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001822
C[C@@H]1C[C@@H](c2c1onn2)C	SCHEMBL10200765,PC-id_68062105	138.167	QRIZTGJKHYTJNB-CRCLSJGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001823
C[C@H]1C[C@@H](O)c2nccn12	ZINC22_238855247	138.167	QYVWIEFTVUCTOJ-NTSWFWBYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001824
C[C@@H]1C[C@@H](O)c2nccn12	ZINC22_238855248	138.167	QYVWIEFTVUCTOJ-PHDIDXHHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001825
C[C@@H]1C[C@H](O)c2nccn12	ZINC22_238855249	138.167	QYVWIEFTVUCTOJ-RITPCOANSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001826
C[C@H]1C[C@H](O)c2nccn12	ZINC22_238855250	138.167	QYVWIEFTVUCTOJ-WDSKDSINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001827
C[C@H]1[C@H](O)Cn2ccnc12	EMOLS-id_337840164	138.167	HYVNBDGGGDTLJB-NTSWFWBYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001828
C[C@@H]1Cn2cncc2[C@H]1O	EMOLS-id_337841205	138.167	KEWAGPMBAZUONB-VDTYLAMSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001829
C[C@@H]1Cn2c(O1)nc(c2)C	PC-id_144820469	138.167	BNIDWWXAQYNFDU-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001830
CCN1Cc2c(C1)con2	PC-id_145577332	138.167	OIKIBZYJAVJICR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001831
CN1Cc2c(C1)cc(o2)N	PC-id_98774508	138.167	IZCYXZJKXSWXNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001832
CN1Cc2c(C1)nc(o2)C	SCHEMBL12765092,PC-id_58207082	138.167	CAANFEYJHGNAEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001833
Cn1nc2c(c1C)CCO2	SCHEMBL16920698,PC-id_118243967	138.167	PZIVYQRJUKDNOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001834
Cn1nc2c(c1C)OCC2	PC-id_118243964,SCHEMBL16920695	138.167	RERNOCXYPLOBJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001835
Cn1nc2c(c1O)CCC2	MCULE-1286315920,EMOLS-id_41628988,SCHEMBL3209715,ZINC22_116396570	138.167	DATJMXUPCFGGKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001836
Cn1nc(O)c2CCCc12	EMOLS-id_92490308,EMOLS-id_323886290,MCULE-2991830032,PC-id_83845385	138.167	BFYWMLXGAJMXEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001837
CNc1noc2c1CCC2	PC-id_112711043	138.167	YTWHEHACQQNFKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001838
CNc1onc2CCCc12	PC-id_55299445,EMOLS-id_330486127,SCHEMBL5929508	138.167	RUHKWYLIMLOYFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001839
COC1CCn2c1ncc2	PC-id_91989823	138.167	OIUUFSDSNQQORX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001840
COc1nn2c(c1)CCC2	PC-id_118180756,SCHEMBL16843742	138.167	XRAMNCMHYJTBFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001841
CO[C@H]1Cn2c(C1)ncc2	SCHEMBL21263670,PC-id_139406586	138.167	KNVYYJAFGRURPL-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001842
COn1nc2c(c1)CCC2	PC-id_101516746	138.167	ATEGDOATICGDBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001843
n12CCCc1ncc2CO	PC-id_51063951,ZINC22_20358128,EMOLS-id_25040523,MCULE-5145109882	138.167	BDQHFHMDXRFNGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001844
n1c2CCCc2c(CO)[nH]1	SPECS-id_AT-084/JK00083,TIMTEC469873,PC-id_45382084,SPECS-id_AN-153/KC18119,EMOLS-id_70089340,EMOLS-id_31215188,ZINC22_24408190,MCULE-3202362724	138.167	TZTISSAVSHFFOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001845
n1oc2c(CCC2)c1CN	EMOLS-id_96445768,MCULE-8373478701,PC-id_23006262	138.167	PJFFBGJVMFCXRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001846
NCc1cc2c([nH]1)CCO2	PC-id_92545324	138.167	FMTUXPQECKEOSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001847
o1c2CCCc2nc1CN	PC-id_83845383	138.167	KJMRIFUIHPTBEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001848
o1c2C(CCc2nc1)CN	PC-id_83872274	138.167	FNDHZITXFSPPFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001849
o1c2CCC(c2nc1)CN	PC-id_83872279	138.167	HWHLISGYJCVLJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001850
o1c2CCC(N)c2nc1C	PC-id_83872277	138.167	HWYPHRZPUZGPRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001851
o1c2CCC(NC)c2nc1	PC-id_83872280	138.167	XVPWOTSUIIZOJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001852
o1c2c(CNC2)cc1CN	PC-id_84762536	138.167	CNRUDZSGZFTCNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001853
o1c2c(nc1CC)CNC2	PC-id_84648338	138.167	MEGMSAHYODNHGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001854
o1c2C(NCc2nc1C)C	PC-id_82373576	138.167	YUHZGVGPJRSTQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001855
o1c2C(N)CCc2nc1C	PC-id_83872276	138.167	HRGWUEBHHQUSQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001856
o1c2C(NC)CCc2nc1	PC-id_83872275	138.167	QSXZZRJOTQOZKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001857
O1Cc2[nH]c(cc2C1)CN	PC-id_84762533	138.167	NRYOYYVZABYEMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001858
o1nc2c(CCC2)c1CN	PC-id_83845386	138.167	SINWOWYHOHISRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001859
o1nc2C(CCc2c1)CN	PC-id_83872282	138.167	BGURYYYACTZRCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001860
o1nc2c(C(CC2)C)c1N	PC-id_84020642	138.167	HBQMUUIGIFVJMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001861
o1nc2C(CC(c2n1)C)C	PC-id_57697578	138.167	QZFQOYUJALGTGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001862
o1nc2c(CNC2)c1CC	PC-id_83845382	138.167	FVIJLXPZBHCCDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001863
o1nc2c(C(NC2)(C)C)c1	PC-id_82651139	138.167	AHBWTLSRNCHBBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001864
o1nc2C(NC)CCc2c1	PC-id_83872283	138.167	BUQRYQYGAQVCHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001865
o1ncc2CCC(c12)CN	PC-id_82418465	138.167	CIZFRMKLPPHZRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001866
o1ncc2C(CCc12)CN	PC-id_82418472	138.167	UEEQTJOPBQHTSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001867
o1ncc2CC(Cc12)CN	PC-id_82418473	138.167	IIDRTNHJKVUXBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001868
o1ncc2CCC(NC)c12	PC-id_83872285	138.167	BONCRBVLPNJABP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001869
o1nc(c2CN(Cc12)C)C	PC-id_22087044	138.167	TUTLCWXGBGIJOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001870
o1nc(c2C(N)CCc12)C	PC-id_83861475	138.167	ICUHEILEFARAOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001871
o1ncc2C(NC)CCc12	PC-id_83861470	138.167	LWQODJKFPADIBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001872
o1nnc2C(CC(c12)C)C	PC-id_57697555	138.167	QRIZTGJKHYTJNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001873
OC1CCn2c1nc(c2)C	PC-id_13809812	138.167	HGWWGIAXQCISCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001874
O=c1n(C)[nH]c2c1CCC2	SCHEMBL15867500,EMOLS-id_323943601,PC-id_66020643	138.167	GRDFVXLQZYYCFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001875
OCc1c2n(CCC2)nc1	PC-id_121553627,MCULE-8809739726,EMOLS-id_75509311	138.167	AUMNYYVXLGTVOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001876
OCc1cc2CCCn2n1	SCHEMBL2929734,MCULE-2582006824,ZINC22_18482266,EMOLS-id_50429145,PC-id_21941359	138.167	PQRBAZCVIZIHPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001877
OCC1Cc2[nH]cnc2C1	PC-id_59086021	138.167	QEHSZUNOZVVDGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001878
OCC1CCc2nccn12	EMOLS-id_44479392,MCULE-9338426083,PC-id_71306262	138.167	NVRFCMKWUJAVNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001879
OCc1n2CCCc2cn1	PC-id_20079585,SCHEMBL9044124	138.167	RGRNRFOEZNDCME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001880
OCc1nc2CCCc2[nH]1	PC-id_63926980,MCULE-1549366170,EMOLS-id_40130213	138.167	DVRWQPRDZZHLFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001881
OC[C@H]1CCc2nccn12	PC-id_92797393,EMOLS-id_329963987,ZINC22_24307010	138.167	NVRFCMKWUJAVNV-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001882
OC[C@@H]1CCc2nccn12	ZINC22_24307004,EMOLS-id_330707036,PC-id_92797392	138.167	NVRFCMKWUJAVNV-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-001883
c12C(CN)CCn1cnn2	EMOLS-id_49181712,MCULE-7036951992,PC-id_102548703	138.17	LSCAEWFCQWBIQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001884
c12C(N)CC(C)n1ncn2	MCULE-3803505220,PC-id_122163384,EMOLS-id_75510164	138.17	FIWJTQJPZSXNQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001885
c12N(C)CCn1ncc2N	PC-id_83815103,MCULE-8003377951,SCHEMBL15528452,EMOLS-id_317869552	138.17	XIHORQPSGNQHTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001886
c12N(C)CCn1nc(N)c2	MCULE-9099417818,EMOLS-id_317867505	138.17	GDHDCABESJRZRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001887
c12NCCn1ncc2CN	PC-id_136320990,EMOLS-id_207621116,MCULE-2164885065	138.17	KIDKYGLLAZJWBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001888
c12NCCn1nc(CN)c2	EMOLS-id_208155706,MCULE-5840308245	138.17	UMHBPXIVJPGPEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001889
Cc1c2CN(Cn2nn1)C	PC-id_90366594,SCHEMBL15983226	138.17	GLWVCZNLLWQFJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001890
CC1Cc2n(C1C)nnn2	SCHEMBL14348022,PC-id_21061690	138.17	KBXNCOZMWXPDSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001891
CC1(Cc2nncn2N1)C	PC-id_90754178	138.17	ZSGFFQONZJEKMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001892
CC1Cn2c(C1C)nnn2	SCHEMBL14524527,PC-id_89356920	138.17	HAPGBMNGCIKQLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001893
CC1(C)Nn2c(C1)ncn2	PC-id_56980769,SCHEMBL2106684	138.17	XRDBRBYCDTWDFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001894
CC1Nc2cc(nn2N1)C	SCHEMBL18253430,PC-id_137067043	138.17	GPECLSCNAKAOPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001895
Cc1nn2CCC(c2n1)N	PC-id_91354590	138.17	ZDHWIYJTWRCFFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001896
Cc1nn2CCNc2c1N	PC-id_136300217	138.17	ILBVCSMZMNOXDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001897
Cc1nn2CN(Cc2n1)C	SCHEMBL15983223,PC-id_90366591	138.17	DKOUCBOPEOCHGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001898
Cc1nn2CN(Nc2c1)C	PC-id_136415250,SCHEMBL613853	138.17	HJCRYLCWAWLKCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001899
CC1NNc2cc(nn12)C	PC-id_136016150	138.17	IAOXVFMBCKRHEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001900
CCc1nn2CCNc2n1	PC-id_136350677	138.17	VVRNKLVSVCCLBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001901
CCC1NNc2ccnn12	PC-id_136660118	138.17	SQJHBGZNQQGXBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001902
C[C@H]1Cc2n([C@H]1C)nnn2	PC-id_58714656,SCHEMBL14490430	138.17	KBXNCOZMWXPDSD-WHFBIAKZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001903
Cn1c2c(CNC2)c(N)n1	EMOLS-id_67909795,MCULE-5874414158,PC-id_82651144,ZINC22_83267544	138.17	LHKWEZVACBSTHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001904
Cn1c2c(CN(C2)N)cn1	PC-id_89140168,SCHEMBL13654466	138.17	ZLRGSTYZSABKKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001905
CN1Cc2c(C1)n(cn2)N	PC-id_96637449	138.17	OBEKEOSXYRXISO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001906
CN1CC(n2c1ccn2)N	SCHEMBL16470025,PC-id_117876150	138.17	SPXJAEIJPMXOCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001907
O=c1[nH]sc2c1CC=C2	PC-id_141290924	139.175	OXDUDOMADVEJJG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002090
Cn1c(N)c2c(CNC2)n1	MCULE-9072738853,ZINC22_18412142,EMOLS-id_302606654,PC-id_71647972	138.17	VTFZKDNSFQMFDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001908
CNc1n2CCCc2nn1	MCULE-4544361844,PC-id_55268165	138.17	PABVAHDBWJJMNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001909
CNc1n[nH]c2c1CNC2	PC-id_57555971,SCHEMBL12057910	138.17	KZCHRROUOJJMRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001910
n12CC(N)Cc1nnc2C	PC-id_82418448	138.17	QUZRMBMGYNLHSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001911
n12n(CCC1)c(=N)nc2C	PC-id_21783732	138.17	VJFNIZLMIGIHAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001912
n12nc(nc1CCC2)CN	PC-id_82593959	138.17	UUKKROGLZOBLMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001913
n12nnnc1C[C@@H]([C@H]2C)C	PC-id_58622784	138.17	KBXNCOZMWXPDSD-CRCLSJGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001914
n1c2CCCc2[nH]c1NN	EMOLS-id_50077566,MCULE-9699770250,PC-id_66490572	138.17	RZKDUVPHGACXSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001915
N1Cc2c([nH]nc2CN)C1	PC-id_82418431	138.17	KXBLKLZXXZYODN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001916
N1(Cc2c([nH]nc2N)C1)C	PC-id_82418443	138.17	CTVRTMVTOWPIAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001917
N1C(c2c([nH]nc2N)C1)C	PC-id_83845387	138.17	DOXOPNKXJIRNRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001918
N1Cc2[nH]c(nc2C1)CN	PC-id_82418446	138.17	MHVVWGDJZUAMIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001919
N1C(c2[nH]nc(N)c2C1)C	PC-id_83845388	138.17	ULGKRMJVNHHNSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001920
N1(Cc2n(nnc2C1)C)C	PC-id_22087042	138.17	SGDRAAOHLOLACG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001921
N1(CCc2[nH]nc(N)c12)C	PC-id_82418444	138.17	XFJPLYKHLZMEKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001922
n1n2CCCc2c(CN)n1	MCULE-1206985236,PC-id_82418436	138.17	BZBWKOOLHYFJFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001923
n1[nH]nc2CCC(c12)CN	PC-id_83872293	138.17	UVPCZZKCASXACJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001924
n1(nnc2c1C(N)CC2)C	PC-id_83872290	138.17	BITNJHIKRRHPRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001925
n1(nnc2CC(N)Cc12)C	PC-id_84048575	138.17	HFIBLAKOHCZBDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001926
n1(nnc2C(N)CCc12)C	PC-id_83872291	138.17	FAVQMWLDPHAOFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001927
NC1Cc2nn(nc2C1)C	PC-id_84048576	138.17	KZBKVEHDUKVHFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001928
N(C1CCc2n[nH]nc12)C	PC-id_83872294	138.17	UOQVDFZXYBAUCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001929
N=c1n(C)[nH]c2c1CNC2	EMOLS-id_313740674	138.17	FUJJYECDMIPOBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001930
NCc1n2c(CCC2)nn1	EMOLS-id_2872486,SCHEMBL14759259,CHEMBL4533750,PC-id_16227468,ZINC22_9256639,MCULE-2988847814,CoCoCo_4472234	138.17	URJJLLGHIBAONS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001931
NCc1nc2c([nH]1)CCN2	PC-id_92545333	138.17	UOUVGMDQCJHDGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001932
NC[C@H]1CCn2cnnc12	PC-id_92797451,ZINC22_24332713	138.17	LSCAEWFCQWBIQP-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001933
NC[C@@H]1CCn2cnnc12	ZINC22_24332708,PC-id_92797450	138.17	LSCAEWFCQWBIQP-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001934
NNC1CCn2c1ncc2	EMOLS-id_96360793	138.17	BDWOSBALIIYDGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001935
NNc1n[nH]c2CCCc12	SCHEMBL17934689,MCULE-5649185129,EMOLS-id_313867871,PC-id_122417975	138.17	PISMPWNVUXWICA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001936
S1c2n(ncn2)C(=[C]1)C	PC-id_57419710	138.17	RALZHOOECKXLDW-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-001937
c12ccsc1CCC2=O	MCULE-2879720358,CNP0047284,EMOLS-id_4376236,STOCK1S-12615,SCHEMBL1747122,PC-id_1958632,ZINC22_2345435	138.187	KOBLGOHFGYWCRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001938
C1CC(=O)c2c1csc2	PC-id_23227615,SCHEMBL10593575	138.187	HOGHFYDSKDDEPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001939
C=C1Oc2c(C1)csc2	SCHEMBL13959635,PC-id_57543534	138.187	FXIKVHSSRJLDMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001940
O=C1c2c(ccs2)CC1	CoCoCo_5551759,NSC241111,SCHEMBL350515,ZINC22_1763571,LI_219710,EMOLS-id_37037087,MCULE-9853448858,CT-id_2233643,PC-id_315614	138.187	QHZITEHQKWPDJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001941
O=C1Cc2ccsc2C1	PC-id_10953588,SCHEMBL6892742,EMOLS-id_329919200	138.187	YZHJXUXNBDAPLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001942
O=C1Cc2cscc2C1	EMOLS-id_313598223,MCULE-2609098327,PC-id_85800572	138.187	ADDSFLGTGVLKRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001943
C1c2cccn2C(=S)N1	SCHEMBL19995909,PC-id_134368090	138.19	RCLGWBQDVCUKEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001944
C1C(=N)Cc2c1ncs2	PC-id_91419518	138.19	VTOAVBFRRXQOFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001945
Cc1nc2c(s1)CN=C2	PC-id_144251793	138.19	YSEOJCOSDPCWFH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001946
[CH2-][CH+]1=c2nc[nH]c2=CS1	SCHEMBL12666755	138.19	QZXDZYWYPRQVBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001947
CN1CCn2c1cc[n+]2C	SCHEMBL18967560	138.19	XACNQEYPORINHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001948
Nc1[n+](C)[nH]c2c1CCC2	GD-id_ZINC07814937,PC-id_8934589	138.19	MNWYTJBDCQXTFV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-001949
[nH]1nc(c2CCCc12)C[NH3+]	PC-id_28063321	138.19	JHFGJFWHCHWKFW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-001950
s1c2N=CCc2nc1C	PC-id_45121790	138.19	NCLNSBQKNQGEKE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001951
CC1Cc2c(C1)ccs2	SCHEMBL15576825,PC-id_60080750	138.23	GWBTVTYCNSCOJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001952
CC1CCc2c1csc2	PC-id_140684197	138.23	CJZPPFOEEAZXFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001953
CC1CCc2c1scc2	SCHEMBL13770917,PC-id_20737322	138.23	QVEQEVSSNXFHNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001954
Cc1csc2c1CCC2	PC-id_18739058,SCHEMBL13021605	138.23	ROQJKOTXWVLEBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001955
Cc1sc2c(c1)CCC2	SCHEMBL6860577,PC-id_20542334	138.23	OYSPOCSGOFJYPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001956
Cc1scc2c1CCC2	SCHEMBL13021592,PC-id_59572753	138.23	VFZQOSMGOXKWLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001957
s1c2CCC(c2cc1)C	PC-id_20737320	138.23	ZVNAUTIROGKVRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001958
C1CC(=O)C2=C1N=CS2	MCULE-4487805957,EMOLS-id_330548752,PC-id_162341870	139.009	JSTKQXAXPLQOGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001959
C1CC(=O)C2=C1SC=N2	PC-id_153746534,EMOLS-id_330784524,MCULE-2085965981	139.009	CFCKYEUUUIBHOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001960
CC1=NC2=C(S1)CN=N2	PC-id_163666503	139.02	IYXYTRLVEGZWPB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001961
C1CC2=C(C1)SC(=[N-])N2	PC-id_154460592	139.034	AVNJAAMYMSGTTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001962
o1c2c(nc1)C(=O)OC2=O	PC-id_82651153	139.066	BTGSHMQFJDWGQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001963
O1C(=O)c2c(noc2)C1=O	PC-id_84648378	139.066	HKYXDNBFLKPJMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001964
O1C(=O)c2c(onc2)C1=O	PC-id_83872297	139.066	PVPDHZNHZZFKCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001965
O1C(=O)c2n[nH]nc2C1=O	PC-id_53944251,SCHEMBL8835683	139.069	IZYUALOWTBUWIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001966
C1=CNC2=C1C(OC2N)N	PC-id_164001952	139.075	UJSJRFBIOVCXIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001967
Cc1ncc2n1C(NC2)O	PC-id_164021924	139.075	VAFHMENNXBJFBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001968
O1c2c(OC1)cn(c2)C=O	PC-id_71348469	139.109	YYYGSVGCYBRKLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001969
O1Cc2c(noc2C=O)C1	PC-id_83862941	139.109	PZJBMNSOAWDJKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001970
O1Cc2onc(c2C1=O)C	PC-id_10351775	139.109	UJJXDFCTPUKONE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001971
o1c(=O)n2c(CC(=O)C2)c1	SCHEMBL5275733,PC-id_69382788	139.109	OJXQBDOSKSKORT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001972
O=Cc1noc2c1CCO2	PC-id_117274713	139.109	WAPNYDBNZPLIER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001973
O=Cc1noc2c1COC2	PC-id_83863001,MCULE-6877704072,EMOLS-id_323944998,ZINC22_24445911	139.109	JREAAJQMURPOIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001974
C1c2c([nH]c(c2N=N1)O)O	PC-id_136968174	139.112	CPHACEFJVCYJEZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001975
Nc1oc2c(n1)C(=O)NC2	PC-id_117274000	139.112	MNVCSCIHNNOJKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001976
O1CCn2nc(nc12)C=O	PC-id_82418407	139.112	OCEVGMALWNKPJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001977
o1nc2c(CNC2=O)c1N	PC-id_82651155	139.112	JGHWXDGJSLPEHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001978
o1nc2CC(N)C(=O)c2n1	PC-id_82593982	139.112	UBBHIHKZJGMCBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001979
O=c1n2n(C=CC2)c(=O)[nH]1	SCHEMBL9772714,PC-id_53631637	139.112	ABAKHISDZGTADB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001980
O=C1NCc2[nH]c(=O)[nH]c12	PC-id_84020648	139.112	MOVOOQKHJONZSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001981
O=Cc1nnc2n1CCO2	PC-id_92798738	139.112	XTHKJISVGBWKIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001982
c1c2NNC(n2nc1)N=O	PC-id_136047594	139.115	MWNQWNMBSHVGFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001983
C[N+]1(c2c(nc[nH]2)N=N1)[O-]	PC-id_137183775	139.115	KMZXEZQRVFKXMO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001984
n12nc(nc1N=NC2N)N	PC-id_3661784	139.119	IVKALSRVPPOGQU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001985
Nc1nc2n(n1)[C@H](N)N=N2	ZINC22_19798284	139.119	IVKALSRVPPOGQU-UWTATZPHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001986
Nc1nc2n(n1)[C@@H](N)N=N2	ZINC22_19798285	139.119	IVKALSRVPPOGQU-REOHCLBHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001987
C[n+]1c2C(=O)OCn2cc1	PC-id_91803532	139.132	MVUWIFMANRSNOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001988
O=C1N=Cc2c1snn2	PC-id_142383523	139.135	HBURJFQUOOVLDQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001989
c12n[nH]nc1N=NC2=S	PC-id_88250509	139.139	SALPJFCMQBGASP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001990
S=C1n2ncnc2N=N1	PC-id_76224079	139.139	JEBHMASIYSERPV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-001991
CC1(C)Oc2c(O1)c[nH]c2	PC-id_100951204	139.152	WFFQOQLSEGGZQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001992
CC1Oc2c(O1)cn(c2)C	PC-id_141180406	139.152	VMVJKWDNLDEPQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001993
CCC1Oc2c(O1)c[nH]c2	PC-id_141180410	139.152	JPURWOCDOKHURB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001994
o1c2c(COC2)cc1CN	PC-id_84762561	139.152	QSLOCEUOMYXSHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001995
o1c2CC(O)C(N)c2cc1	PC-id_82418387	139.152	HHILOOMKUBSLMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001996
o1c2C(N)CC(O)c2cc1	PC-id_84049398	139.152	WODJJLPKUIHDMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001997
O1C(c2nocc2C1)(C)C	PC-id_14172213	139.152	NKUQPMKIZLSDQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-001998
Oc1[nH]c(O)c2CCCc12	PC-id_53862896	139.152	GXRZTSKKKDSBIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-001999
OCc1noc2CCCc12	EMOLS-id_114339003,PC-id_23006253	139.152	DSUUIBXUUDUUPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002000
c12COCc1nn(C)c2N	EMOLS-id_70108217,MCULE-9997183816,PC-id_83679999	139.155	CNXLMXMPLLVBRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002001
c12NCCn1ncc2CO	MCULE-2299007586,EMOLS-id_207621113,PC-id_136350679	139.155	OGWYCDJTCDCKNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002002
c12NCCn1nc(CO)c2	PC-id_162349435,MCULE-4414275213,EMOLS-id_208155703	139.155	PJQPNYVLWRQHHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002003
Cc1nc2c(o1)CN(C2)N	SCHEMBL13654470,PC-id_89140170	139.155	CUADTLWEGQXOSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002004
Cc1nc2n(c1N)CCO2	PC-id_92543634	139.155	IFUQYRDTVWOLHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002005
Cn1c(=O)[nH]c2c1NCC2	PC-id_92543622	139.155	UFNKWMYYSMRDPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002006
Cn1nc2n(c1=O)CCC2	SCHEMBL12013041,PC-id_21338159	139.155	XCDKOPJSKWZFDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002007
CNc1cnn2c1OCC2	SCHEMBL20828397,PC-id_138481238	139.155	CRVXFFPJHXIYCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002008
CNc1[nH]nc2c1COC2	SCHEMBL16451289,PC-id_83862246	139.155	QGKJDSKXOPMRFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002009
CNc1noc2c1CNC2	PC-id_112711044	139.155	BMYCUXXUALRJCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002010
COc1nn2c(c1)NCC2	PC-id_141348981	139.155	RJGKJMQWUHQKJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002011
n12CCCc1nnc2CO	MCULE-1404446045,PC-id_66489696,EMOLS-id_42802860,ZINC22_24397782	139.155	SMLUMNDDAXMDJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002012
n12C(CO)CCc1nnc2	PC-id_102533980,EMOLS-id_42802846,MCULE-6354937829	139.155	ITCXJRHUVSDMKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002013
n1n2CCCc2c(CO)n1	MCULE-7377870479,LI_222240,CoCoCo_5680176,ZINC22_1617258,EMOLS-id_330803980,NSC623587,PC-id_360881	139.155	JHVHBOSLWJNDIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002014
Nc1c(C)nn2c1OCC2	MCULE-1597345032	139.155	KHZZPTQJLGDOEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002015
Nc1cc(=O)n2CCCn12	MCULE-6732359499,PC-id_11206081,EMOLS-id_300727441,SCHEMBL2922048,ZINC22_38363222	139.155	SLZGMEJPWRRFIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002016
Nc1cn2n(c1=O)CCC2	SCHEMBL18733407	139.155	PRWRTDDALZZFCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002017
N=c1oc2c(n1N)CCC2	SCHEMBL6469691,PC-id_69791052	139.155	WPBMLJDQKMBISK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002018
NCc1cc2n(n1)CCO2	MCULE-2945960508,EMOLS-id_303225715,PC-id_82594001,ZINC22_18482290	139.155	UFTFTRFTKYFLFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002019
NCc1cnn2CCOc12	PC-id_84038540,EMOLS-id_324014209	139.155	CWEDBPKXEYZUAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002020
NCC1COc2ccnn12	PC-id_84731128,MCULE-8279045917,EMOLS-id_330491315	139.155	YIILYNZTIKSTJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002021
NCc1[nH]nc2c1CCO2	PC-id_92798729	139.155	QBXONGNXVJEAEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002022
NCc1n[nH]c2COCc12	PC-id_83862255,EMOLS-id_330824196	139.155	RQRGGIGSPHLTQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002023
NC[C@@H]1COc2ccnn12	ZINC22_24307835	139.155	YIILYNZTIKSTJH-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002024
NC[C@H]1COc2ccnn12	ZINC22_24307840	139.155	YIILYNZTIKSTJH-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002025
o1c2CCC(N)c2nc1N	PC-id_83872301	139.155	BPIGGHNZWXSNGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002026
o1c2c(nc1CN)CNC2	PC-id_83949305	139.155	MSWVSAWSYMAMEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002027
o1c2C(N)CCc2nc1N	PC-id_83872300	139.155	MORBSIDKLDYMGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002028
O1Cc2n(nc(N)c2C1)C	PC-id_83680003	139.155	PNSYRYMLJVIEFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002029
O1CCc2[nH]c(nc12)CN	PC-id_82418374	139.155	YVUUEFSSBNEXOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002030
O1CCn2c1nc(c2)CN	PC-id_82418375	139.155	DRBDIKDCTXUNHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002031
O1CCn2c(CN)cnc12	PC-id_82593997	139.155	ADJUGCKNXIBYOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002032
o1nc2CCCc2c1NN	PC-id_83803497	139.155	XYBBLDMPJDDWOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002033
o1nc2c(CNC2)c1CN	PC-id_83862424	139.155	IZDLQHNHNAIIIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002034
o1nc2c(CNC2)c1NC	PC-id_83862412	139.155	KMEXBCLYBDFSAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002035
o1nc2c(C(NC2)C)c1N	PC-id_82651169	139.155	OBYJRRFRANJWQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002036
o1nc2CN(Cc2c1N)C	PC-id_83803076	139.155	JDQIWEOGUASPEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002037
o1nc2C(NCc2c1N)C	PC-id_83845401	139.155	IJXIWENNRGASAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002038
o1nc(c2CNCc12)CN	PC-id_82418356	139.155	YGYQJNMJPYTKGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002039
o1nc(N)c2c1C(NC2)C	PC-id_83845400	139.155	COKRFHVFWPHVAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002040
o1nc(N)c2CN(Cc12)C	PC-id_82418357	139.155	IKUWIBCRLMPKEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002041
o1nc(N)c2C(NCc12)C	PC-id_83845399	139.155	OGNJAHFKJYXJJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002042
o1nc(N)c2N(CCc12)C	PC-id_82418370	139.155	XRMHQMGUDZWAEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002043
OC1C(N)Cc2[nH]cnc12	PC-id_82594024	139.155	YKFVJIDYIMUBSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002044
OC1C(N)Cn2c1cnc2	PC-id_84648398	139.155	MPWKIVMOVXTJJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002045
OC1C(N)Cn2c1ncc2	PC-id_84648399	139.155	CJYXDVWBMVIWJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002046
O=c1n2CC(N)Cc2c[nH]1	PC-id_83668846	139.155	QHPRKOGWSFDQRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002047
O=c1n(c2c([nH]1)CNC2)C	PC-id_82593992	139.155	BBVYNMBTFPAHNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002048
O=c1[nH]n(c2c1CNC2)C	PC-id_83845405	139.155	ILGMZHGOXZYWFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002049
O=c1[nH][nH]c2c1C(NC2)C	PC-id_83845402	139.155	OEAHMJZUYHJQBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002050
O=c1[nH][nH]c2CCC(N)c12	PC-id_82418367	139.155	LBEJIZXVTQKFRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002051
O=c1[nH][nH]c2CC(N)Cc12	PC-id_82418368	139.155	HIFJVVGMOQYZBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002052
O=c1[nH][nH]c2C(NCc12)C	PC-id_83845403	139.155	MGIWGVBJEWFFRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002053
O=c1[nH][nH]c2CN(Cc12)C	PC-id_83845404	139.155	SLUAUUOKBPEONW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002054
O=c1[nH][nH]c2C(N)CCc12	PC-id_82418369	139.155	RPPCLARLZWLYOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002055
O=c1n([nH]c2c1CNC2)C	PC-id_82418352	139.155	NYIBNZKOFDPDTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002056
OCc1c2CNCc2[nH]n1	PC-id_84038541,MCULE-1511170688,EMOLS-id_50368674	139.155	HYOIWORYRHDIQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002057
OCC1c2c(n[nH]c2)CN1	EMOLS-id_311376397,MCULE-3165850829	139.155	GZUAHCNBRUFOGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002058
OCC1CCc2ncnn12	MCULE-4801775138,PC-id_53488033,EMOLS-id_300733074	139.155	OKLMNNIODAMXJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002059
OCC1NCc2c1[nH]nc2	PC-id_145523835	139.155	RQGMLGXXTWJOEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002060
OC[C@@H]1CCc2ncnn12	ZINC22_24307183,SCHEMBL1155877,MCULE-8101391120,PC-id_57907586,EMOLS-id_44457450	139.155	OKLMNNIODAMXJU-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002061
OC[C@H]1CCc2ncnn12	ZINC22_24307190,EMOLS-id_337320538,PC-id_92797394	139.155	OKLMNNIODAMXJU-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002062
OC[C@@H]1CCc2nncn12	ZINC22_24307048	139.155	ITCXJRHUVSDMKF-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002063
OC[C@H]1CCc2nncn12	ZINC22_24307054	139.155	ITCXJRHUVSDMKF-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002064
OC[C@@H]1NCc2[nH]ncc12	ZINC22_24382189	139.155	GZUAHCNBRUFOGQ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-002065
OC[C@H]1NCc2[nH]ncc12	ZINC22_24382192	139.155	GZUAHCNBRUFOGQ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002066
ON1Cc2c(C1)n(cn2)C	PC-id_118613805,SCHEMBL17380060	139.155	FAGYMMINPOOXHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002067
ON1Cc2c(C1)nc([nH]2)C	PC-id_118613807,SCHEMBL17380062	139.155	FNMDWPBGDXXEJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002068
ONC1CCn2c1ncc2	EMOLS-id_265096361	139.155	AUQHDRSJDXMPGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002069
C1Cn2c(c(nn2)CN)N1	PC-id_136305587	139.158	PTGNUTZMJKIXHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002070
C1Cn2c(nc(n2)CN)N1	PC-id_136308592	139.158	XPMNUUQBPMIUEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002071
CC1NNc2c(cnn12)N	PC-id_136489297	139.158	NNMHIUKSCDEIDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002072
N1(CCn2nc(nc12)N)C	PC-id_82594028	139.158	GLIUAQZHAQDPNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002073
N1(CCn2nnc(N)c12)C	PC-id_82418346	139.158	GBRLFGPFYRKNJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002074
NC1CC(n2c1nnn2)C	SCHEMBL19603788	139.158	QJJVHLBJPRRJPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002075
c1c2c(C(=O)NC2)sc1	PC-id_20542805,MCULE-3424176504,EMOLS-id_43481068,SCHEMBL161158	139.175	GIQBMQFTAUFJAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002076
C1Nc2c(C1=O)ccs2	PC-id_96637371	139.175	MPQFTKRHIPFYOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002077
C1Nc2c(C1=O)csc2	PC-id_96637370	139.175	BAUCZAGKPCKPBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002078
Cc1cc[n+]2CC(O)Cn12	MCULE-3900586120,PC-id_418580,EMOLS-id_300542082,CK1053251	139.175	GCBNKDFYMZGHSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002079
Cc1cc[n+]2n1C[C@H](O)C2	CoCoCo_5421994,PC-id_910104,ZINC22_17417453	139.175	GCBNKDFYMZGHSI-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002080
Cc1cc[n+]2n1C[C@@H](O)C2	ZINC22_17417456,CoCoCo_5421995,PC-id_910103,GD-id_ZINC17417456	139.175	GCBNKDFYMZGHSI-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002081
O1c2[n+](n(c(c2)C)C)CC1	PC-id_15370107	139.175	SAUDMSUVGXACAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002082
O=C1Cc2c(N1)scc2	SCHEMBL6626771,PC-id_11355518	139.175	SXVURCAXJDJGSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002083
O=C1Cc2sccc2N1	ZINC22_49587279,MCULE-7612114579,SCHEMBL669892,EMOLS-id_40317408,PC-id_45489923	139.175	GNJWHCYBYKQBKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002084
OC1(CC[n+]2c1c[nH]c2)C	PC-id_59294645	139.175	IHUGVDDTLHFIMO-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002085
O=C1Cn2c(S1)ccc2	SCHEMBL18013295,PC-id_122485851	139.175	YGZJJPWXXAARLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002086
O=C1CSc2cc[nH]c12	ZINC22_1601586,CoCoCo_5494663,PC-id_292176,SCHEMBL14291823,LI_218020,NSC157822	139.175	XCJBUOFWXOSADB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002087
O=C1Nc2c(C1)csc2	SCHEMBL3051220,PC-id_68493880	139.175	FNAPRPHCYWWSFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002088
O=C1NCc2sccc12	MCULE-6798489257,SCHEMBL8171311,PC-id_59191662,EMOLS-id_76739514	139.175	LCQRHHVGNIRQBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002089
O=C1SCn2c1ccc2	SCHEMBL18013294,PC-id_53997205	139.175	KIYVMFMVIJSDKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002091
OCc1c[nH+]c2n1CCC2	GD-id_ZINC20358128,PC-id_28875903	139.175	BDQHFHMDXRFNGB-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002092
s1c2c(NCC2=O)cc1	PC-id_44133437	139.175	FNGZBLJXJXDFMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002093
s1cc2CNC(=O)c2c1	PC-id_82594030	139.175	YIWNDXWZDGQRLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002094
n12CCCc1nnc2C[NH3+]	PC-id_40988163	139.178	URJJLLGHIBAONS-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002095
n12nn[n+](c1C(CC2)C)C	PC-id_15304959	139.178	HUUKRRSBZSXQSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002096
[n+]12nn(nc1C(CC2)C)C	PC-id_21671889	139.178	SQLUONRSFYCCSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002097
N1(Cc2[n+]([nH]nc2C1)C)C	PC-id_21354616	139.178	SGDRAAOHLOLACG-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002098
c12CCCc1scc2N	ZINC22_132973132,PC-id_99633649,EMOLS-id_50386627,MCULE-3393946562	139.218	SXXJHAXFRMTMHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002099
[C]1=Cc2c(S1)ccs2	PC-id_101760681	139.218	AFUMCNALXBXMAK-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-002100
Cc1c2c(CCN2)sc1	MCULE-8141817276,EMOLS-id_96994507	139.218	JRYBVHBFFHZRNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002101
Cc1cc2c([nH]1)CCS2	PC-id_91155466	139.218	KMOVKEJMNATRJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002102
Cc1cc2c(s1)NCC2	PC-id_96637309	139.218	XJCODVFURGJAEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002103
Cc1cc2NCCc2s1	MCULE-5597783251,EMOLS-id_194733167	139.218	BVQBGPBFXWGHJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002104
CC1CCc2c1ncs2	SCHEMBL12092413,EMOLS-id_114340329,PC-id_70660607	139.218	LNPCYJHQFDDPQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002105
Cc1nc2CCCc2s1	SCHEMBL2666128,ZINC22_40448251,MCULE-9228915929,PC-id_21529489,EMOLS-id_31655087	139.218	LSNDXQUTOCWCJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002106
Cc1nsc2c1CCC2	SCHEMBL16997441,PC-id_118299370	139.218	BPBHQQGLLXOHPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002107
Cc1scc2c1CNC2	SCHEMBL9408127,PC-id_18947036	139.218	FGVVZDCWXVGUHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002108
Cc1snc2c1CCC2	PC-id_142155581	139.218	AQEWVCQVLMNXGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002109
CN1Cc2c(C1)ccs2	SCHEMBL11923826,PC-id_45087819	139.218	BSNUSKCXBQVKOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002110
CN1Cc2c(C1)csc2	PC-id_45087792,SCHEMBL13283525	139.218	QUMJHSOPFOMQJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002111
CN1CCc2c1ccs2	PC-id_59129720,SCHEMBL844493	139.218	OWIZEQUUIAUFDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002112
CN1CCc2c1scc2	PC-id_59129717,SCHEMBL844494	139.218	UOLUSQUBNQBIMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002113
NC1c2ccsc2CC1	EMOLS-id_43468027,SCHEMBL6648853,PC-id_23009839,MCULE-2729561980	139.218	IVLUVSDYAOCOJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002114
NC1c2sccc2CC1	EMOLS-id_92490191,MCULE-5008896317,PC-id_14069386,SCHEMBL3962987	139.218	WLFYIKNBDPEYTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002115
Nc1cc2CCCc2s1	PC-id_53443434,ZINC22_104076039,SCHEMBL14205894,MCULE-6452373285,EMOLS-id_64019819	139.218	ITUDHVWNSXABIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002116
o1c2C(O)CC(O)c2cc1	PC-id_85657025	140.137	JUKUNDAGWZSXKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002144
NC1Cc2ccsc2C1	PC-id_21955858,SCHEMBL6072527,EMOLS-id_331322386	139.218	MKMQRQDCRYARDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002117
NC1Cc2cscc2C1	MCULE-4304860591,EMOLS-id_317663645,ZINC22_1772799802,PC-id_138991563	139.218	OYEAOAFVHXVTHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002118
Nc1scc2c1CCC2	EMOLS-id_320439588,PC-id_138958333	139.218	RFUICHURYURVLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002119
N[C@H]1CCc2c1scc2	PC-id_96006053	139.218	WLFYIKNBDPEYTA-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-002120
N[C@@H]1CCc2c1scc2	PC-id_96006054	139.218	WLFYIKNBDPEYTA-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002121
N[C@H]1CCc2sccc12	EMOLS-id_337150412,SCHEMBL14914794,ZINC22_19727511	139.218	IVLUVSDYAOCOJQ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-002122
N[C@@H]1CCc2sccc12	EMOLS-id_337725594,SCHEMBL14916238,ZINC22_19727509	139.218	IVLUVSDYAOCOJQ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002123
s1c2c(CNC2)cc1C	PC-id_82418299	139.218	UUNYPYRPHOVCCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002124
s1cc2C(N)CCc2c1	PC-id_82418301	139.218	PDAAJQPZYWUCMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002125
C1C2=C(OC1=O)SC=C2	PC-id_153723846	139.993	DXLCGDCFZOFUAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002126
C1C(=O)N2C=NC=C2S1	PC-id_148548155	140.004	VDHFYTGEURAHEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002127
CC1=C2C(=CS1)CCO2	PC-id_153858307	140.03	RDKWAFQHQSYVCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002128
C1C(SC2=C1NC=C2)N	PC-id_163938015	140.041	ROMMTGPRTZPYOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002129
CC1=CC2=C(S1)NCN2	PC-id_153815088	140.041	IKNALOFVKVBVNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002130
O1C(=O)c2nonc2C1=O	PC-id_84648479	140.054	DTCHQFCNHLJTAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002131
C1C(CN2N1C=CC2=O)O	PC-id_153961381	140.059	CQNHNQCEMHPJQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002132
C1C(N2C(=CC=N2)O1)CO	PC-id_165369679	140.059	SIGIROZNLZDCNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002133
CC1=NN2CCC(C2=C1)F	PC-id_155055076	140.075	ZEMHIEWGCHTFQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002134
C1Cn2c(cc(=O)n2C1)[NH3+]	PC-id_163966199	140.082	SLZGMEJPWRRFIO-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002135
Cc1ncc2n1C([NH2+]C2)O	PC-id_164021923	140.082	VAFHMENNXBJFBZ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002136
o1[n+]([O-])c2CCC(=O)c2n1	SCHEMBL9305729,PC-id_18957941	140.097	YVNUICJXFHENAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002137
OC1Cc2nonc2C1=O	PC-id_82594097	140.097	HMKDLHPIURXFNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002138
o1nc2CN(N)C(=O)c2n1	PC-id_82418283	140.1	CMFGIBKPAGPWLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002139
O=NN1c2n(nnn2)CC1	PC-id_12159620,4021466_OpenMolecule,CT-id_4021466	140.103	RIPDXKZFGGCVCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002140
Cc1cnn2c1PCC2	PC-id_144912808	140.123	VYVWKVCSFGTECX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002141
p1c2CCCc2nn1C	PC-id_12486553	140.123	ZTZFUPIXTBMCBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002142
CC1CCc2c1oc(=O)o2	PC-id_88974284,SCHEMBL12879851	140.137	RNCMVALPCCHONX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002143
c12COCc1nn(C)c2O	EMOLS-id_324400979,MCULE-4942358584	140.14	JJRYPLOHHWQIJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002145
c12COCc1onc2NC	MCULE-2239998609,PC-id_112711042	140.14	GIOGJXONAIGZAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002146
c12OCCn1nc(CO)c2	MCULE-2520044969,SCHEMBL3552253,EMOLS-id_48583003,TIMTEC110475,ZINC22_18482293,PC-id_21941355	140.14	CUXKNQDOYULMKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002147
C1Cc2nc(c(n2C1)O)O	PC-id_137331601	140.14	JQDKTJOKTFKRRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002148
CC1CCc2c1[n+]([O-])on2	SCHEMBL9309163,PC-id_18957953	140.14	QYFUFUFYPJXUSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002149
CC1Nc2c(O1)oc(n2)C	SCHEMBL16329816,PC-id_117768326	140.14	KUCCCCJMXGOWHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002150
C[C@@H]1CCc2c([O-])on[n+]12	EMOLS-id_337735066	140.14	LTQJDCUYBHQIAR-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002151
C[C@H]1CCc2c([O-])on[n+]12	EMOLS-id_337735578	140.14	LTQJDCUYBHQIAR-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002152
CCn1cnc2c1OCO2	PC-id_68027641,SCHEMBL10075945	140.14	UYIOPPGOSPRWJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002153
NCc1noc2c1CCO2	PC-id_117274712	140.14	IVEPTPWZUOZSRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002154
o1c2CCC(N)c2[nH]c1=O	PC-id_83872328	140.14	DMLKLGZKYHPCAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002155
o1c2c(nc1CO)CNC2	PC-id_84648488	140.14	NTCCCHYAOFPIGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002156
o1c2C(N)CCc2[nH]c1=O	PC-id_83872327	140.14	JGKJCQHHHCWCCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002157
O1Cc2c(noc2CN)C1	PC-id_83862423	140.14	OMCLODIJUJIJCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002158
O1Cc2c(noc2NC)C1	PC-id_83862411	140.14	QVPWVNKHKJIURL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002159
O1Cc2c(onc2CN)C1	PC-id_82418258	140.14	YXTFHAMJUJCYNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002160
O1Cc2n([nH]c(=O)c2C1)C	PC-id_83845421	140.14	SBPMMYYFIOKUGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002161
o1nc2c(CNC2)c1OC	PC-id_84070838	140.14	SMEBYDGPPKQXBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002162
o1nc(OC)c2CNCc12	PC-id_84070829	140.14	GNJUGEGJHXYJGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002163
o1[nH]c2c(C(NC2)C)c1=O	PC-id_83845416	140.14	OYKCGMDWVREJQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002164
o1[nH]c2C(NCc2c1=O)C	PC-id_83845417	140.14	JKKRXWWHNGEPFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002165
o1[nH]c2CN(Cc2c1=O)C	PC-id_83845418	140.14	VBNXCTDBGWZZAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002166
o1[nH]c(=O)c2CCC(N)c12	PC-id_82418277	140.14	BUELKLXSPDIKOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002167
o1[nH]c(=O)c2CC(N)Cc12	PC-id_82418275	140.14	HRLFARHTYMFODM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002168
o1[nH]c(=O)c2C(N)CCc12	PC-id_82418276	140.14	UBHTYQXJHMUONI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002169
Oc1cn2n(c1=O)CCC2	PC-id_141207130	140.14	PTLHUZIEWVXOJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002170
OC1C(O)c2c([nH]nc2)C1	PC-id_83854036	140.14	ZUAWJOLONOVRMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002171
OC1C(O)c2n(C1)cnc2	PC-id_85176251	140.14	JDEKDYIKCPXPOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002172
Oc1n2n(CCC2)c(=O)c1	PC-id_56998910	140.14	KUFWSPFGBYCHSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002173
O=c1n(C)[nH]c2c1COC2	PC-id_105428112	140.14	QPYNPLAASOADCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002174
Oc1[nH]c(O)c2c1CNC2	PC-id_53679476	140.14	BFOYGILGDHWMKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002175
Oc1[nH]c(O)c2NCCc12	PC-id_54312463	140.14	SLVXHHQFGPXKQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002176
Oc1[nH]c(=O)n2CCCc12	PC-id_54039374	140.14	LLGMYBHSGVGCFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002177
OCC1Cn2nccc2O1	EMOLS-id_337733016	140.14	ICHPQEAZOQOSDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002178
OCc1cnn2c1OCC2	EMOLS-id_324016004	140.14	MZLHPHQVSBJDPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002179
OCc1noc2c1CNC2	PC-id_117274240	140.14	QJPPTXKGAAKNHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002180
O[C@H]1[C@@H](O)c2n(C1)cnc2	PC-id_10534738	140.14	JDEKDYIKCPXPOK-RITPCOANSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002181
O[C@H]1[C@H](O)c2n(C1)cnc2	PC-id_10654293	140.14	JDEKDYIKCPXPOK-PHDIDXHHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002182
O[C@@H]1[C@H](O)c2n(C1)cnc2	PC-id_10820604	140.14	JDEKDYIKCPXPOK-NTSWFWBYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002183
CN1CCn2c1n[nH]c2=O	SCHEMBL3524865,PC-id_57927615	140.143	VNWBCTPZJHWNCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002184
COC1CCn2c1nnn2	PC-id_85897371	140.143	QPLBSDHDFUTNAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002185
O1CCn2c(nnc12)CN	PC-id_82594138	140.143	KFHVRAQRKBEGBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002186
O1CCn2nc(nc12)CN	PC-id_82594131	140.143	NGZWOLPYGJZMDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002187
o1nc2N(CN(c2n1)C)C	PC-id_59979891	140.143	FVPQSXXXBQPUJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002188
NN1Nc2c(C1N)[nH]nc2	PC-id_141399162	140.147	XMQVWUNTQZDVPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002189
Fc1nn(c2c1CCC2)C	PC-id_145769828	140.158	LTMOPDTYZNYAHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002190
s1c2N[C]=Cc2cc1F	PC-id_57431168	140.158	LQCPFHYZQJTZNG-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-002191
C1OC(=O)c2c1csc2	SCHEMBL8940546,PC-id_53959318	140.16	JJUVYXXUATVZFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002192
C1OC(=O)c2c1scc2	SCHEMBL20436911,PC-id_12423415	140.16	UKTQOKBJBSCTHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002193
C=C1Oc2c(O1)csc2	PC-id_59022019,SCHEMBL12447687	140.16	QEPNZBVTNUMNDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002194
O=C1OCc2c1scc2	SCHEMBL2200587,PC-id_22398911	140.16	PXXSVBAQFMDQNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002195
S1c2c(occ2)CC1=O	PC-id_82374190	140.16	GVIBUZCMXRNAKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002196
s1c2c(OCC2=O)cc1	PC-id_83815123	140.16	GEPYGHCVUIVFBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002197
S1Cc2c(occ2)C1=O	PC-id_10351782	140.16	OZKXERUQWVPGMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002198
s1cc2c(OCC2=O)c1	PC-id_82418249	140.16	LFVNPNYRPRQEFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002199
S1Cc2occc2C1=O	PC-id_10080485	140.16	HRRWOTDRCLIWPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002200
c12ncsc1CNC2=O	EMOLS-id_42802586,PC-id_84618134,MCULE-2238369241,ZINC22_57354283	140.163	TZZMYQJDRORIRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002201
C1C(=O)Sc2n1ccn2	SCHEMBL18013288,PC-id_122485846	140.163	FBQLTHKNTQJBMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002202
C1Sc2n(C1=O)ccn2	SCHEMBL4459115,PC-id_53684599	140.163	CQFXAHSRHLYIDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002203
O=C1NCc2c1scn2	PC-id_67453541,MCULE-8848652026,SCHEMBL2564215,EMOLS-id_316788258	140.163	BCRHMAZIUFJNEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002204
O=C1SCn2c1ncc2	SCHEMBL18013296,PC-id_122485852	140.163	CZULILJOLFBRHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002205
s1c2CC(=O)Nc2nc1	PC-id_83872341	140.163	RXHYOEFDCYJIBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002206
s1c2NC(=O)Cc2nc1	PC-id_18731831	140.163	MULDDXHHZJUMPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002207
s1ncc2NC(=O)Cc12	PC-id_83872340	140.163	IXIVOEJYAZISNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002208
s1nnc2c1CCC2=O	PC-id_82594147	140.163	FFVYFKSUVLRXKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002209
s1nnc2CCC(=O)c12	PC-id_82594148	140.163	LHYLWYBHIHTFQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002210
[S-]c1n2CCCc2nn1	PC-id_40431221	140.186	BLAMYONNSKVLKQ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-002211
O=C1c2sccc2CC1([2H])[2H]	PC-id_12562350,SCHEMBL9404977	140.199	QHZITEHQKWPDJE-CBTSVUPCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002212
Cc1c2c(CCS2)co1	UNPD10837,EMOLS-id_330960955,MCULE-3244476585,HMDB0032922,PC-id_526931,CNP0230641,SCHEMBL2081489	140.203	WQOKVCDOEDFSAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002213
CC1COc2c1csc2	PC-id_68553308,SCHEMBL3217159	140.203	LTJQSBIMEQYDOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002214
Cc1occ2c1CCS2	SCHEMBL2084077,PC-id_13595302	140.203	GIGSMCYRJVOTOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002215
CC1OCc2c1scc2	PC-id_59760329,SCHEMBL2085299	140.203	YHCSCIWFQGDUDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002216
Cc1scc2c1COC2	PC-id_145406040	140.203	OQHLOQKRFLAADU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002217
OC1c2ccsc2CC1	SCHEMBL1747061,MCULE-2318042341,EMOLS-id_49833351,PC-id_55277243	140.203	MANOPCWSPGPWEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002218
OC1c2sccc2CC1	MCULE-6364957813,EMOLS-id_92490189,PC-id_121232119	140.203	OUWYQGZUMKDHAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002219
OC1Cc2c(C1)ccs2	SCHEMBL7556127,PC-id_70128107	140.203	VAVDSBOBBSYPMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002220
Oc1cc2CCCc2s1	MCULE-4877185828,EMOLS-id_313790926	140.203	XMLGYAHLHLOPES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002221
s1c2c(C(OC2)C)cc1	PC-id_20712611	140.203	BFGMKZAXSRATQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002222
s1cc2C(O)CCc2c1	PC-id_82418173	140.203	ARFCYEYYLJMFGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002223
S1C(Cc2c1coc2)C	PC-id_13595301	140.203	PAEZXOGCWPGEEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002224
c12CCCc1nsc2N	MCULE-2238678877,EMOLS-id_33419625,ZINC22_39326082,PC-id_23008745	140.206	PQLLGFHUNXLZCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002225
c12C(N)CCc1scn2	SCHEMBL20083670,EMOLS-id_316755751,PC-id_83872344,MCULE-6648647033	140.206	LOABFXFXTIWTBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002226
c12CSCc1n[nH]c2C	PC-id_91250688,SCHEMBL14175681,EMOLS-id_317871605,MCULE-2908799700	140.206	XCNSEVOCVGRXAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002227
C1Cc2c(cnn2C1)S	SCHEMBL20074301,PC-id_134439493	140.206	LSBUDABUMJVTEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002228
Cc1cc2n(n1)CCS2	PC-id_117767022,SCHEMBL16327974	140.206	AJTRRCKLXATCLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002229
Cc1cn2c(n1)SCC2	SPECS-id_AT-819/OC08115,PC-id_329963,SCHEMBL8339941	140.206	ZYVHXHCCUUZQBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002230
Cc1cnc2n1CCS2	SCHEMBL8259557,PC-id_59655049	140.206	QMPLWJIABVWMHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002231
CC1Nc2c(N1)csc2	PC-id_142907292	140.206	OQIKMPGVJKTLEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002232
Cc1nc2CNCc2s1	EMOLS-id_300669082,MCULE-6364531054,PC-id_15231191,SCHEMBL2846333,ZINC22_38540392	140.206	DQNDJDKFUJDVQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002233
Cc1nc2c(s1)NCC2	PC-id_89552764,SCHEMBL14930331	140.206	LXMWITYHRZKCMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002234
CC1NCc2c1csn2	PC-id_144106914	140.206	JONBLYABPTUOKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002235
CC1NCc2c1scn2	PC-id_112481758	140.206	OOCXMCZUOCPABM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002236
Cc1ncn2c1SCC2	PC-id_144161376	140.206	VORVUBBPGNJCGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002237
Cc1nn2c(c1)CSC2	PC-id_70309280,SCHEMBL8225222	140.206	UETIDOFWVJWRHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002238
C[C@@H]1Cn2c(S1)ncc2	SCHEMBL19262389	140.206	LRKNCGMRUWFIDV-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002239
C[C@H]1CSc2n1ccn2	SCHEMBL19423130	140.206	JARIDKYRCVXHMU-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002240
CN1Cc2ncsc2C1	SCHEMBL742988,PC-id_18442743,MCULE-2773538097	140.206	RVOMEXUXUJIDPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002241
Cn1ncc2c1CSC2	PC-id_145769921	140.206	NYCPGCAJUGHDDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002242
n1c2CCCc2[nH]c1S	PC-id_12404576,MCULE-2060909355,EMOLS-id_50077582,EMOLS-id_97147645	140.206	JQOCDEYTHCYOPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002243
NC1c2scnc2CC1	MCULE-7946819106,PC-id_83872345	140.206	REHYAEATTPSVCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002244
Nc1cc2c([nH]1)SCC2	PC-id_145864671	140.206	VFLOVAZBQPWCIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002245
Nc1nc2CCCc2s1	MCULE-9118505736,ZINC22_17126087,EMOLS-id_835816,SCHEMBL624175,PC-id_332255,SPECS-id_AN-153/I124519,CoCoCo_5090535,TIMTEC202893,NSC328442	140.206	HUKBELGUWQLEFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002246
Nc1sc2c(c1)CNC2	PC-id_98012858	140.206	GXVFZPVMUYLESX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002247
N[C@H]1CCc2scnc12	EMOLS-id_337839140	140.206	LOABFXFXTIWTBJ-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002248
N[C@@H]1CCc2scnc12	EMOLS-id_337873191	140.206	LOABFXFXTIWTBJ-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002249
s1c2N=[C]Sc2cc1	PC-id_57476668	140.206	UYYSKFMXPBRGSI-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-002250
s1nc2CCC(N)c2c1	PC-id_82418172	140.206	VDFQBLCDQWASKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002251
s1nc2CC(N)Cc2c1	PC-id_82418170	140.206	UYTNVPJVMBDHQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002252
s1nc2C(N)CCc2c1	PC-id_82418171	140.206	GUZJLINCDYFIBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002253
s1nc(c2CNCc12)C	PC-id_82418169	140.206	XSOWDQIOWJKLCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002254
s1nc(N)c2CCCc12	PC-id_12323354	140.206	MUZGTYNHUBSHRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002255
SC1c2n(ccn2)CC1	PC-id_10034706,EMOLS-id_96159688,MCULE-6102960994	140.206	BGXVXNFRCRHPNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002256
SC1CCc2n1ncc2	PC-id_144272332	140.206	VFHSWZCCOQPBHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002257
SC1CCn2c1cnc2	PC-id_11819156,SCHEMBL9084786	140.206	MOQLAYWFDDDYOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002258
SC1CCn2nccc12	PC-id_19978607	140.206	MZDJRLPQAMJXCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002259
SC1Cn2c(C1)cnc2	SCHEMBL9085859,PC-id_10329384	140.206	LGVMJHKDBCQVFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002260
SC1Cn2c(C1)ncc2	PC-id_10176182,SCHEMBL8845011	140.206	SVGHIJCMRDZNCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002261
Sc1nc2n(CCC2)c1	PC-id_3080452	140.206	PQPFQDNMAGEJKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002262
Sc1ncc2CCCn12	SCHEMBL20005711,EMOLS-id_317513150,PC-id_134376940,MCULE-3096251863,ZINC22_1772718073	140.206	RLDVQRNRFFYPOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002263
Sc1[nH]nc2CCCc12	PC-id_15620347,EMOLS-id_317908197,MCULE-5182605173,SCHEMBL13404819	140.206	FGCRKQHSRBDRGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002264
S[C@@H]1Cn2c(C1)ccn2	PC-id_143030210	140.206	BEQMBPYWPZQKRG-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-002265
S[C@@H]1Cn2c(C1)cnc2	PC-id_143030250	140.206	LGVMJHKDBCQVFN-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-002266
S[C@@H]1Cn2c(C1)ncc2	PC-id_10855545,SCHEMBL8921224	140.206	SVGHIJCMRDZNCP-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002267
SN1CCc2c1cc[nH]2	SCHEMBL18818973	140.206	ZFAUIPIDNGMMIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002268
[S+]1(CCn2c1ccc2)C	PC-id_11460440	140.226	RTOSSYVXNSWGRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002269
C1C2=C(CS1)NN=C2[O-]	PC-id_153904383	141.013	QMVIFEUQWFPRSX-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-002270
C1CC2=C(C1O)N=CS2	EMOLS-id_330780685,PC-id_162341868,MCULE-5808666512	141.025	JVUWVQRBEXYYIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002271
C1CC2=C(C1O)SC=N2	PC-id_162341871,MCULE-8939424370,EMOLS-id_330781197	141.025	INXVWXXIXYPZLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002272
C1CS(=O)C2=C1NC=C2	PC-id_162369882	141.025	GBQLDROLEPRFCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002273
CC1CN2C(=CN=N2)S1	PC-id_154724312	141.036	DITQOMZNHMBQHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002274
Pc1onc2c1CCC2	PC-id_142903019	141.108	YKNMKEYZMIXEFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002275
PN1Cc2c(C1)c[nH]n2	SCHEMBL9944423,PC-id_67977935	141.111	PTLCIJXFRMDFFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002276
C1c2c([nH]c(c2CO1)O)O	PC-id_90950059	141.125	AISGEXGCQTVULX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002277
o1c(O)c2n(CCC2)c1=O	PC-id_57029819	141.125	BMCXLGZQGAWPHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002278
OCc1noc2c1CCO2	PC-id_117274711	141.125	DMSJXTXYHPFYFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002279
Nn1c(=O)[nH]c2c1OCC2	PC-id_92544717	141.128	JZOKRTRYYIDQEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002280
O=c1n2n(CCC2)c(=O)[nH]1	SCHEMBL9772951,PC-id_22671093	141.128	OSYYCQRMBFOXNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002281
C[n+]1c2CCCc2p[nH]1	PC-id_135582763	141.131	YBCLUFSZBRIZQT-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002282
Cn1[nH+]c2CCCc2p1	PC-id_135582762	141.131	ZTZFUPIXTBMCBK-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002283
p1nn(c2c1CCC2)C	PC-id_12486555	141.131	YBCLUFSZBRIZQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002284
Cc1noc2c1CCC2F	SCHEMBL13468590,PC-id_89095932	141.143	RXDLDLFSJJHNNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002285
Cc1nc2n(n1)CC[C@H]2F	PC-id_142577328	141.146	DCHQDNSQZLTRKX-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002286
FC1CCc2c1c(N)n[nH]2	PC-id_105428197	141.146	JXONVOJPGLIADO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002287
FC1CCc2c1[nH]nc2N	PC-id_105428191	141.146	YGMWZACGKCQMFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002288
FCC1NCc2c1[nH]nc2	PC-id_145523826	141.146	MGDBMJGPURNSTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002289
COc1on[n+]2c1CCC2	PC-id_145376765	141.148	NFHLYBGZLAOTMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002290
C1C(=O)c2c(N1)snn2	PC-id_136305582	141.151	SAONFIMTTQYGII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002291
n12ncnc1SCC2=O	MCULE-8826523453,EMOLS-id_857818,PC-id_5152240,ZINC22_5778321,CoCoCo_6467776	141.151	HKQKIVTYPFTDKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002292
S1CC(=O)n2c1nnc2	PC-id_18891871	141.151	JZYTUELFUIYIBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002293
O=[Si]1On2c(O1)ccc2	PC-id_142637332	141.157	PSMGRWPLYZIFFS-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-002294
Cc1nc2c(s1)OCC2	PC-id_89552816,SCHEMBL14930412	141.191	FHYKBMCRUQEFBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002295
Nc1cc2c(s1)OCC2	PC-id_98774490	141.191	UAFVCTAXDOZIGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002296
Nc1scc2c1COC2	EMOLS-id_320441895,PC-id_138958321	141.191	DAEGRDBSBNVBSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002297
O=c1[nH]c2CCCc2s1	MCULE-1962965355,ZINC22_34669948,EMOLS-id_31655093,PC-id_43286790	141.191	MPBAFCASVITYMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002298
O=c1[nH]sc2c1CCC2	SCHEMBL1123349,PC-id_13035393,SCHEMBL9077266	141.191	IQNYLDNSEGALMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002299
O=c1sn2c(c1)CCC2	PC-id_54500243,SCHEMBL3139321	141.191	YBXGAFDRBCUFBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002300
O=s1ncc2c1CCC2	PC-id_140345215	141.191	LHXBSRRIVRINOY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002301
Sc1oc2c(n1)CCC2	EMOLS-id_97112718	141.191	LJZFNWXUZFLTHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002302
S=c1o[nH]c2CCCc12	PC-id_84020699	141.191	JICBBWCXSZGSDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002303
c12CSCc1ncn2N	MCULE-5833293652,PC-id_96637084	141.194	ZEYRBOLWRXAPBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002304
C1CNc2n1c(=N)sc2	PC-id_17938214,SCHEMBL6392480	141.194	FAQCOBSSWLUUKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002305
C1CNc2n1c(=S)[nH]c2	PC-id_141197074	141.194	WUEJHEBVPUNDAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002306
Cc1nnc2n1CCS2	PC-id_89392208,SCHEMBL14644850	141.194	WUSKRZTURBACBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002307
CN1CSc2c1n[nH]c2	PC-id_23282047,SCHEMBL8176470	141.194	QPYMHTLJSJOJDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002308
n12CCCc1nnc2S	ZINC22_2684328,CoCoCo_5792489,PC-id_4479700,MCULE-7217335648,EMOLS-id_81839836,CoCoCo_5792490,EMOLS-id_15730131	141.194	BLAMYONNSKVLKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002309
Nc1cnc2n1CCS2	PC-id_96637083	141.194	WXCWTWBIQQOONR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002310
Nc1nc2CNCc2s1	EMOLS-id_50368836,MCULE-6702413895,PC-id_83913982	141.194	ZLABMGKPPOZBCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002311
Nc1n[nH]c2CSCc12	PC-id_33777858,SCHEMBL1929483,EMOLS-id_330468195,MCULE-8617029342	141.194	AGCNISHRJLBJMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002312
S1c2c([nH]nc2N)CC1	PC-id_82418062	141.194	YRKPZWYZYNSXAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002313
S1CC(n2ncnc12)C	PC-id_71408241	141.194	FIVMGYNRLZBDMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002314
S1CCn2nc(nc12)C	PC-id_86037043	141.194	HJIWTCXAHCDVON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002315
S1CCn2nnc(c12)C	PC-id_10630592	141.194	BSYWTPLNZRNFID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002316
s1nnc2CCC(N)c12	PC-id_83872369	141.194	GEJMCYBZFAQCBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002317
s1nnc2C(N)CCc12	PC-id_83872368	141.194	MRZXIAGLRSRAOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002318
SC1CCn2c1nnc2	PC-id_19978587	141.194	VKHBZCFLXRMKLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002319
SC1CCn2nncc12	PC-id_19978556	141.194	UBUFFMZENZNGPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002320
SC1Cn2c(C1)nnc2	PC-id_14884681,SCHEMBL9204376	141.194	IDXTZTFIQLYHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002321
SC1C[n+]2n(C1)[c+]nc2	PC-id_53400243	141.194	FSXAKBAAAKWHME-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002322
SN1Cc2c(C1)cn[nH]2	SCHEMBL21310258	141.194	XXJNZLRTHNBIBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002323
Sn1nc2c(c1)CNC2	PC-id_144561541	141.194	SCXXDJYIKVZRHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002324
Sn1nnc2c1CCC2	SCHEMBL19542127	141.194	RSZUEKBJCRIELH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002325
Nc1s[nH+]c2c1CCC2	PC-id_144261231	141.214	PQLLGFHUNXLZCZ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002326
S1c2[n+](CC1)cc([nH]2)C	PC-id_50878382	141.214	ZYVHXHCCUUZQBE-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002327
s1c2[n+](CCN2)c(c1)C	PC-id_12075959	141.214	GOXKEFJIGQQOOV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002328
SC1C[n+]2n(C1)ccc2	SCHEMBL9146430,PC-id_19978562	141.214	PHBDMCPWBODJNX-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002329
ClC1CCn2c1ccc2	SCHEMBL10934194,PC-id_70476355	141.598	RYPMGZJZVUJDPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002330
O1Cc2[n+](onc2C1=O)[O-]	SCHEMBL9306992,PC-id_18957961	142.07	MSNVNGIPRMXWET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002331
CN1c2nonc2N[N+]1=O	PC-id_136790135	142.096	IIDMSXMHJBMKDA-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-002332
C1C(c2c(O1)c(co2)O)O	PC-id_91529273	142.109	CFCJURVDQQGLFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002333
O1c2c(N(O)C1)[nH]cc2O	PC-id_69289536,SCHEMBL5039538	142.113	ZQMIXYIMNLHNCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002334
o1c2N(O)CNc2c(O)c1	SCHEMBL5039567,PC-id_69289547	142.113	XIVMRFBJNAAEDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002335
C1Cc2c(C1)n(nc2F)O	SCHEMBL20631145,PC-id_137399510	142.131	GJHAEFSIYVVFHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002336
FC1CCc2c1c(N)no2	PC-id_105428315	142.131	QAIQOUJCKVVUAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002337
FC1CCc2c1onc2N	PC-id_105428316	142.131	XGMKTSCQJDBGMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002338
Fc1nn(c2c1COC2)C	PC-id_145769977	142.131	RQRYGXNWJBDOBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002339
S1CC(=O)n2nnnc12	PC-id_85584259	142.139	VQSRNGNEHOKXHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002340
O=[Si]1Oc2c(O1)cco2	PC-id_140328997	142.142	HUIYSVHUPRFFOC-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-002341
CC1Oc2c(O1)csc2	PC-id_70000520,SCHEMBL7135539	142.176	MGWNDUXTOGYDBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002342
OC1Oc2c(C1)csc2	PC-id_141610653	142.176	KAYOARIDPOZUND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002343
O=s1cc2c(c1)CCO2	PC-id_67054658,SCHEMBL1498265	142.176	OGVXLVPDOZCJTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002344
S1(=O)CCc2c1coc2	PC-id_13595309	142.176	AXLWGPOJDFKNDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002345
S=c1oc2c(o1)CCC2	PC-id_139933408	142.176	BURRFNLORKRHNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002346
c12cn[nH]c1CS(=O)C2	EMOLS-id_58031523,PC-id_119054874,MCULE-4841464049	142.179	UUXZHVAMANDAPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002347
c12CSCc1noc2N	ZINC22_7951901,STOCK6S-20179,CoCoCo_6413661,PC-id_9079023,EMOLS-id_832853,MCULE-8279645759	142.179	AJGJMXCWYPBNBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002348
C1Nc2c(S1=O)cc[nH]2	PC-id_139593141	142.179	KQJRFOBDTHNUIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002349
C1SCc2n1c(=O)[nH]c2	PC-id_53723895,SCHEMBL9678969	142.179	CJCHPYBXNXRZDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002350
Oc1[nH]nc2c1CSC2	PC-id_83189915,SCHEMBL18770377,EMOLS-id_96219556	142.179	QMVIFEUQWFPRSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002351
O=[S@]1Cc2cn[nH]c2C1	ZINC22_242687753	142.179	UUXZHVAMANDAPE-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-002352
O=[S@@]1Cc2cn[nH]c2C1	ZINC22_242687754	142.179	UUXZHVAMANDAPE-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002353
O=S1CCn2c1ncc2	PC-id_195832,SCHEMBL9292773	142.179	ROQAGDNERRGLPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002354
O=[S@@]1CCn2c1ncc2	PC-id_92855842	142.179	ROQAGDNERRGLPC-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002355
O=[S@]1CCn2c1ncc2	PC-id_92855843	142.179	ROQAGDNERRGLPC-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-002356
s1c2CCOc2nc1N	PC-id_83669667	142.179	JXRMOUCFLWBTLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002357
S1Cc2c(onc2N)C1	PC-id_82417970	142.179	JNPJZHXZLBLNAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002358
S1Cc2[nH]c(=O)[nH]c2C1	PC-id_84020716	142.179	AWOVCEKXWRXTQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002359
S1CCc2onc(N)c12	PC-id_82417974	142.179	BZEIAAOQYDDMHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002360
S1CCn2c1nc(O)c2	PC-id_82417975	142.179	HDOXTJMYZPHZIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002361
Sc1cnn2c1OCC2	PC-id_112707201	142.179	DBSZDPGZBNDLQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002362
n12CCSc1nnc2N	EMOLS-id_16604235,MCULE-6765229142,ZINC22_11919854,PC-id_11423653,CoCoCo_5089851,SCHEMBL14644337,CoCoCo_5089849,CoCoCo_5089852,CoCoCo_5089850,CoCoCo_5089853	142.182	AEPHDIQEIPWOEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002363
n1c(N)nn2CCSc12	ZINC22_39366922,EMOLS-id_53895627,MCULE-8130655348,PC-id_12997205	142.182	UTKJWBJGVXYNJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002364
NN1CSc2c1n[nH]c2	SCHEMBL8171230,PC-id_23282046	142.182	HBTQPYGDUANKEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002365
C1Cc2c(C1)scc2F	SCHEMBL13881103,PC-id_89192559	142.194	QKJWOGWAHLCJQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002366
[n+]12CC(S)Cn1cnc2	ZINC22_21298151,PC-id_10464870,SCHEMBL9040741,GD-id_ZINC21298151,MCULE-6225527893	142.202	RBNSJLTVHKFIBL-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002367
s1cc2c(c1)N=S=N2	SCHEMBL19654540	142.202	CPXNULXVPXQSTC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002368
c12CSCc1ccs2	MCULE-3668913684,EMOLS-id_317413651,SCHEMBL4547876,PC-id_19088016,ZINC22_81127349	142.242	JBJYYMPHNYTRKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002369
C1Cc2c(S1)scc2	PC-id_10219490,SCHEMBL6754548	142.242	HLDXTSOVSFLIMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002370
C1Sc2c(C1)csc2	PC-id_67500248,SCHEMBL2692198	142.242	YJUCOHWDTXMNCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002371
C1Sc2c(C1)scc2	PC-id_57681652,SCHEMBL13841002	142.242	VXKYXVZKIJVBMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002372
S1Cc2c(C1)csc2	PC-id_11137269,SCHEMBL10050851	142.242	GXIAUTWHZUJRFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002373
c12CCCc1n[nH]c2Cl	PC-id_21654011,EMOLS-id_41630250,MCULE-4651294304	142.586	NZPSOZLIIQQGCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002374
c12C(Cl)CCc1[nH]nc2	MCULE-5055425775,PC-id_66489573,EMOLS-id_50074270	142.586	HOTMXFPOOJSRPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002375
Clc1cc2CCCn2n1	PC-id_118180706,SCHEMBL16843692,EMOLS-id_89944410,MCULE-4111800528	142.586	SJMSANVCIXPQGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002376
ClC1CCn2c1ncc2	PC-id_13809815	142.586	RRPTUJFXNSLXFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002377
Clc1cn2CCCc2n1	PC-id_913303,ZINC22_497776,MCULE-8280401425,EMOLS-id_4388802,STOCK1S-37501	142.586	DIEMOTDSVHBHCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002378
Clc1cnn2CCCc12	PC-id_122129707,EMOLS-id_106070470,MCULE-6949734495	142.586	VIFVRPOTQWWBLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002379
Clc1n2CCCc2nc1	PC-id_71721332	142.586	XESCIBBNMWTNQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002380
Clc1nc2CCCc2[nH]1	ZINC22_22126196,EMOLS-id_31520354,MCULE-9483954155,PC-id_30033055	142.586	CKIBSJGYMJHCMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002381
C1N(C2=C(S1)N=CN2)O	PC-id_154381955	143.015	SYMKJKURENNDDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002382
C1C2=C(CC1(F)F)NC=C2	PC-id_150025193	143.055	DGBXFSGVFIXYJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002383
C1SCc2c1c(=O)o[nH]2	PC-id_114763634	143.164	MAXSWCRLXPKGAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002384
Nc1sc2c(c1)OCO2	PC-id_98774478	143.164	BAAGDQOVUWDIJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002385
Nc1scc2c1OCO2	PC-id_98774479	143.164	AYWCNULHUVBPFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002386
[O-]C1OC[n+]2c1csc2	SCHEMBL16324367,PC-id_117764098	143.164	PUVGBJPRCXLYQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002387
[O-]c1oc[n+]2c1CSC2	SCHEMBL18011846,PC-id_122484541	143.164	MDAKDMQKNSPQSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002388
Oc1onc2c1CSC2	EMOLS-id_114345523	143.164	XWGOBFLEADNVSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002389
S1Cc2c(o[nH]c2=O)C1	PC-id_82417900	143.164	NHWQCKHYNAZXLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002390
C1Nc2c(S1=O)[nH]cn2	PC-id_137701217	143.167	DUQCCOSXAORHPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002391
O=c1[nH]nc2SCCn12	SCHEMBL3522670,EMOLS-id_317491418,PC-id_57927202	143.167	ZMJVHNXMTRKEJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002392
FC1CCc2c1ncs2	PC-id_68395142,SCHEMBL12833463	143.182	DGOZFDGBSXGKIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002393
S1c2n(nn[n+]2C)CC1	PC-id_71429492	143.19	OZUQRADVUJNWEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002394
CC([c-]1ccc2=C=CC=c12)C	PC-id_101383901	143.205	WNWOROUFPNOFIO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002395
C1c2c(cc[nH]2)SS1	SCHEMBL3602287,PC-id_87544927	143.23	LTCWTXNHMXTKAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002396
C1Cc2c(S1)scn2	SCHEMBL9945725,PC-id_57930004	143.23	RDCZDGKCCLTHJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002397
C1CSc2c1scn2	SCHEMBL12943006,PC-id_88982295	143.23	CFRHACIVJKQLTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002398
C1Nc2c(S1)ccs2	SCHEMBL14990085,PC-id_89599021	143.23	SIEKVZASDDLPEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002399
N1Sc2c(C1)scc2	PC-id_67713708,SCHEMBL8872334	143.23	SQTOQAKCULVHKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002400
S1c2c(SC1)c[nH]c2	PC-id_55300819	143.23	VUBUTPCJFOWZHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002401
S1Cc2c(C1)ncs2	SCHEMBL12622665,PC-id_58280904	143.23	ZDSCZJJEVGLAIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002402
C1Cc2c(C1)s[s+]c2	PC-id_135082352	143.25	NJZMRYOWEDUUHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002403
Clc1oc2CCCc2n1	PC-id_83826296	143.571	NSMCYHXEKVTDAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002404
Clc1onc2c1CCC2	PC-id_73554667,MCULE-6450031122,EMOLS-id_49847131,ZINC22_98179339	143.571	QUDWDVSKDRLLTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002405
c12NCCn1ncc2Cl	EMOLS-id_317864702,MCULE-9162660650	143.574	DSCRUDQDNIFFOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002406
Clc1nn2CCCc2n1	PC-id_84648921	143.574	INRBCIWRPIEFHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002407
Clc1nnc2CCCn12	MCULE-4663293963,PC-id_82417827,EMOLS-id_208143094	143.574	HRQFKLSCFDBQJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002408
C1CSC2=C1[NH+]=CS2	PC-id_153642433	143.994	RDCZDGKCCLTHJZ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002409
C1Nc2c([nH]nc2N1)Cl	PC-id_163698668	144.02	JZBSVQBJVHPFBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002410
[O-]c1on[n+]2C[C@H](F)Cc12	EMOLS-id_337732506	144.104	HUKVJTFUQYLEBO-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002411
[O-]c1on[n+]2C[C@@H](F)Cc12	EMOLS-id_337734810	144.104	HUKVJTFUQYLEBO-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-002412
FC1C(F)c2c([nH]nc2)C1	PC-id_83854035	144.122	LZWCXUOIFXAANY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002413
FC1(F)Cc2ccnn2C1	MCULE-8400803087,EMOLS-id_317862142	144.122	BSRDPQUQEXJHJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002414
O=C1n2c(C=C1C#N)ccc2	PC-id_10749298	144.13	DRTGHDTWCSSTJE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002415
S1CCn2c1npc2	PC-id_86011686	144.135	VSLJPFMKRCZSQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002416
[c-]12CSC[n+]2noc1=O	SCHEMBL13118702,PC-id_15500247,NSC24710,CoCoCo_5320517	144.152	QFKNMKSPDNKKQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002417
[O-][n+]1onc2c1CCS2	SCHEMBL9306827,PC-id_18957959	144.152	UZZHADOFFAACPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002418
S1Cc2[n+](onc2C1)[O-]	PC-id_71371254	144.152	IYGUAJNVYPTRIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002419
S1CC[n+]2noc([O-])c12	PC-id_58711686	144.152	XEDFCTMMPBVVSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002420
c12NONc1[nH]c(S)n2	EMOLS-id_31521083,ZINC22_40174027,MCULE-5440915760,PC-id_43839766	144.155	ZTKHRWMZHPVTGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002421
OC1OC[n+]2c1csc2	PC-id_117764099	144.172	BKQJLWXSODMQJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002422
Oc1oc[n+]2c1CSC2	PC-id_122484542	144.172	MDAKDMQKNSPQSW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002423
OS1Cn2c(C1)ncc2	SCHEMBL21412368	144.195	JWZJMSBBONJUMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002424
C1Sc2c(N1)nsc2	PC-id_142691559	144.218	SJUDGGIDNWUXQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002425
C1Sc2c(N1)scn2	SCHEMBL18930801	144.218	DVNNRCUYTGQIKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002426
N1Sc2c(N1)scc2	PC-id_118905695,SCHEMBL17544695	144.218	VYMJHRURQJBWPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002427
N1Sc2c(S1)c[nH]c2	PC-id_68407414,SCHEMBL2830040	144.218	CIAXIAVHEYSFTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002428
S1Cc2snnc2C1	PC-id_10997163	144.218	YQYVGIXIZGSJTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002429
S1CCc2nnsc12	PC-id_11018997	144.218	WKIUPGDECRPNHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002430
S1Nc2c(N1)csc2	PC-id_85385297,SCHEMBL14836217	144.218	GCEROSXDGZZDQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002431
S1CC[n+]2c1scc2	PC-id_21429005	144.238	BFVMJADBWORQAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002432
Clc1n[nH]c2c1COC2	PC-id_83845481	144.559	SBUDBGWACNNWQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002433
Oc1on[n+]2c1CSC2	SCHEMBL3102339,ZINC22_1614601,PC-id_409893	145.16	QFKNMKSPDNKKQG-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002434
S1CC[n+]2[nH]oc(=O)c12	PC-id_58711687	145.16	XEDFCTMMPBVVSG-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002435
N#Cc1n[nH]c2c1C=C(C2)C	PC-id_23135141,SCHEMBL5531508	145.161	BUNPQHRGFSTISN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002436
N#Cc1n[nH]c2c1CC(=C2)C	SCHEMBL5525283,PC-id_23135163	145.161	IGISWRZMGVTGNA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002437
N#CC=C1CCn2c1ncc2	EMOLS-id_114348187	145.161	GMLOUSRPNJYXNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002438
N#CNC1C=Cn2c1ccc2	PC-id_140142690	145.161	SNISUAPQDYPZBZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002439
CC1=CC=c2c1c(C)c(=C)[nH]2	PC-id_54398601	145.201	VLUBQTQFBPMASA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002440
CC=C1C(=Cc2c1[nH]cc2)C	PC-id_69821386,SCHEMBL6548471	145.201	LHOLNPDXCHAJNU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002441
[nH]1c2=CC(=Cc2c(c1=C)C)C	PC-id_53631744	145.201	MTDFTYGAIFVSSZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002442
[nH]1c2=C(C=C(c2cc1=C)C)C	PC-id_57260512	145.201	UQVGWUGFKQGHIE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002443
[nH]1c(=C(C)C)cc2c1=CC=C2	PC-id_57054534	145.201	VHEBFSBRIZJBCO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002444
S1c2scnc2OC1	PC-id_57346957	145.203	GNPUWOAGFPYASC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002445
S1Sn2c(O1)ccc2	PC-id_18922767,SCHEMBL8685776	145.203	CUZYSPUHGXKCDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002446
c1c2c(ns1)NSN2	PC-id_137287846,SCHEMBL20523218	145.206	IOTYMDUZOXOBNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002447
N1Sc2c(S1)cn[nH]2	PC-id_70378435,SCHEMBL10935801	145.206	PULWOHJRQQHJOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002448
Clc1nn2CCOc2n1	PC-id_84649069	145.547	BJFLPQGRLOWHNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002449
[B]c1cc2c([nH]1)C(NC2=O)C	PC-id_89793905	145.954	CTIUVRCYBCBDTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002450
c1c2c(c(o1)O)OPO2	SCHEMBL15814615,PC-id_90234125	146.038	IIOXPJWOUDOFTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002451
O=C1CCn2c(ccc12)C#N	EMOLS-id_336567317	146.146	HWVRXIYKEFAVBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002452
C=CCC1=Cc2c(C1)cco2	SCHEMBL7694833,PC-id_70165055	146.186	QFWKPEBOULHINM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002453
C=CCC1=Cc2c(C1)coc2	SCHEMBL7692201,PC-id_70164011	146.186	HAGCXVNVNMHNAF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002454
C=CCC1=Cc2c(C1)occ2	SCHEMBL7691601,PC-id_70163805	146.186	UHVFUDFIBSOGRM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002455
s1c2OSOc2cc1	SCHEMBL7844059,PC-id_19078195	146.187	AAEOEVVGQWCORT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002456
Cc1cc(C#N)c2CCCn12	MCULE-6686021148,PC-id_12461846,ZINC22_75537783,EMOLS-id_50383208	146.189	QTKUZPIKTVQNCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002457
C#Cc1nn(c2c1CCC2)C	SCHEMBL20673863,PC-id_137437045	146.189	GRSGQJSDVQAAHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002458
C#CCc1n[nH]c2CCCc12	EMOLS-id_313877843,MCULE-3859961738	146.189	DQNNSKFBNCPQPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002459
n12CCCc1cc(c2C)C#N	PC-id_82651428	146.189	RHHBQFLALMXUDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002460
n12CCCc1cc(c2)CC#N	PC-id_84762952	146.189	XIGKKPQPKQIVKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002461
n12CCCc1ccc2CC#N	PC-id_84762953	146.189	JVYXLBADWSUUMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002462
n12c(CCC1)c(c(c2)C#N)C	PC-id_12039489	146.189	MWMJEMYDFZDQON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002463
n12CCCc1cc(c2C#N)C	PC-id_82651429	146.189	QMXNAPWFHFVSJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002464
n12c(CCC1)c(cc2C#N)C	PC-id_82651430	146.189	WGBBLSIFXYAWQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002465
n1(c2CCCc2c(c1)C#N)C	SCHEMBL16132568,PC-id_82651431	146.189	BKHAQQDFPTXRNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002466
[nH]1c2c(CCC2)c(c1)CC#N	PC-id_84762954	146.189	LKNMJJSSOVWLGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002467
s1c2N[C]=Cc2cc1C#C	PC-id_57431170	146.189	LMFGLFNZHLPMGE-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-002468
O1SSn2c1ccn2	SCHEMBL11348808	146.191	NXCUHZDNTWUYAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002469
S1Nc2nsnc2N1	PC-id_13281837	146.194	QLXNKWVXXABTDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002470
[3H]c1sc(c2c1N=S=N2)[3H]	PC-id_140893565	146.218	CPXNULXVPXQSTC-RVQWGROCSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002471
CC1=C2C(=C)CCC2=CN1C	PC-id_153398306	147.105	VOAARNCEEPTXTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002472
o1c2CC(C(=O)c2cc1)C#N	PC-id_82417715	147.131	SZKRJEREWFADET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002473
O=C1n2c(ccc2C=O)C=C1	PC-id_10582915	147.131	NOEZWHJENUMXAQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002474
C1=C=Cc2c1c(n[nH]2)C(=O)N	SCHEMBL14192894,PC-id_89269750	147.134	VHHYJCPBYXYUOD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002475
N#Cc1c[nH]c2c1C(=O)NC2	PC-id_141379815	147.134	VDFATWHGILWMGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002476
O=C1Nc2n(C1)cc(c2)C#N	PC-id_55295700	147.134	QOPZHXXSCYDJGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002477
n12c(ncc1)CN=C2NC#N	PC-id_13290813	147.137	HUCTWVHGPOUGTD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002478
NC(=O)C1=C[CH]n2c1ccc2	SCHEMBL21296627	147.154	SLUZQKNTOAODSR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002479
c1(C#N)c(C)oc2CCCc12	PC-id_83610119,MCULE-2682628391	147.174	CXFYUQZXXHOGCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002480
C=C1CC(=O)c2c1ccn2C	PC-id_122389992	147.174	TXMDCDXJSVKJCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002481
CC1=CC(=O)n2c1ccc2C	SCHEMBL12615781,PC-id_68328476	147.174	FMRIMOSUSIRENR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002482
Cc1cn2c(c1)C=C(C2=O)C	PC-id_68328313,SCHEMBL12615503	147.174	LSADDTFABNPMMS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002483
CCC1=Cc2n(C1=O)ccc2	PC-id_117636382,SCHEMBL16156025	147.174	HQOHPBYEWAXCSF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002484
C=Cc1ccc2n1CC(=O)C2	SCHEMBL9718316,PC-id_67913989	147.174	RSPDZIBNQNWXME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002485
C/C=C/1Cn2c(C1=O)ccc2	PC-id_141850195	147.174	DCUHWFMBWIKHHX-FARCUNLSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002486
o1c2CCCc2cc1CC#N	PC-id_84763009	147.174	BTRNUJVQHQYYSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002487
o1c2CCCc2cc1C[N+]#[C-]	PC-id_83479326	147.174	JTJKVFUFENXBNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002488
o1c2c(C(CC2)CC#N)cc1	PC-id_83681867	147.174	NZPYAXKKUVHXHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002489
O=C1c2n(ccc2CC1=C)C	PC-id_71344708	147.174	VHORVUNCHWMAEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002490
O=Cc1cc2c([nH]1)CCC2=C	PC-id_143725828	147.174	ZYRUEXZCIZFVKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002491
O=C(C1=Cc2n(C1)ccc2)C	PC-id_13010026	147.174	REIMZIWFDZWRPF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002492
O=C(c1n2c(C=CC2)cc1)C	PC-id_12913437	147.174	AYAJDXCQYOKKHB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002493
O=C(c1n2c(CC=C2)cc1)C	PC-id_20979340	147.174	QDFIXVNLOHIJJJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002494
c12C(C)CCc1n[nH]c2C#N	MCULE-9419475354,EMOLS-id_40297893,PC-id_55265391	147.177	CKAGOGCNWZHYPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002495
c1(C#N)c2CCCc2nn1C	EMOLS-id_70118688,MCULE-6278526727,PC-id_105429047	147.177	VWEMNWOLJYUOBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002496
c1(C#N)c(N)cn2CCCc12	SPECS-id_AT-687/PE33055,MCULE-1498438268,PC-id_75466264,EMOLS-id_49185831,ZINC22_96511552,SPECS-id_AT-687/NB03682	147.177	BLNBRCWCCVJYML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002497
CC1CCc2c(n[nH]c12)C#N	PC-id_55265393,EMOLS-id_316044034	147.177	XPXLSFKWGFMMOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002498
Cc1cnc2C(CCn12)C#N	EMOLS-id_195324759,MCULE-1035297280	147.177	LIGOXNCFGHLXNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002499
C=CCc1cn2c(n1)N=CC2	PC-id_70560781,SCHEMBL11308846	147.177	QESHSRCALAKETO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002500
C=CCC1=Nc2n(C1)ccn2	PC-id_70560788,SCHEMBL11308876	147.177	MORNZBDMEXIIIY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002501
C#CCN1Cc2c[nH]nc2C1	ZINC22_1775996559,MCULE-4075394828	147.177	XEMMSJCOUBFXHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002502
C#CCn1nnc2CCCc12	EMOLS-id_114310731,MCULE-4217122718	147.177	FTKANQBEBFVHQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002503
n12CCCc1c(nc2C)C#N	PC-id_82651446	147.177	SZBPTZAUQJNCTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002504
n12CCCc1cnc2CC#N	PC-id_84763012	147.177	MVMBGQWHVRGLET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002505
n12CCCc1c(nc2C#N)C	PC-id_82651443	147.177	BYIXKXRWGZZVRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002506
n12CCCc1cnc2C[N+]#[C-]	PC-id_83479339	147.177	UQLCWXROFFHLAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002507
n12CCCc1nc(c2C)C#N	PC-id_82651447	147.177	LKTRGFRENNWEQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002508
n12CCCc1ncc2CC#N	PC-id_84763017	147.177	GFHUEMVVXORUJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002509
n12CCCc1nc(c2)CC#N	PC-id_84763018	147.177	XDAFYUSARGCVNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002510
n12nc(cc1CCC2)C[N+]#[C-]	PC-id_83479340	147.177	FPTWWXHNHYVAAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002511
n1cc(c2CCCn12)CC#N	MCULE-7354643407,EMOLS-id_317877500	147.177	ZMBIKSMUPVELSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002512
n1c(CC#N)cc2CCCn12	PC-id_84763013,MCULE-5673473093,EMOLS-id_317878268	147.177	VWWIXPFKXVEZJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002513
n1(nc(c2c1CCC2)C#N)C	PC-id_39235189,SCHEMBL15730580	147.177	SOMNHDKTFHQASQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002514
N#CC1CC(n2c1ncc2)C	EMOLS-id_265109900	147.177	LZCYYTBVOUEXMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002515
N#CCc1n[nH]c2CCCc12	EMOLS-id_315163045,PC-id_83858871,MCULE-5304937424,EMOLS-id_313499575	147.177	GVBXMZDFZIHJHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002516
[nH]1c2CCCc2c(c1N)C#N	PC-id_23009524	147.177	GXGMXKUBZVZUEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002517
[nH]1nc(c2CC(Cc12)C)C#N	PC-id_55265392	147.177	DEJOZGYODROVMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002518
O=C1Cc2c(C1(C)C)[cH-]cc2	PC-id_102085509	147.194	UZNAWEKGIYIZJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002519
C#CCn1cc[n+]2c1CCC2	PC-id_102232655	147.197	IVFYAAKINFOTCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002520
CC1=Cc2c(C1)n(c(c2)C)C	PC-id_122470967,SCHEMBL17996872	147.217	PTICIHRUMZURBN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002521
CC(c1ccc2n1CC=C2)C	PC-id_54550194,SCHEMBL4331589	147.217	ZJITXOLBHFNYCJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002522
C=C[C@@]1(C)CCn2c1ccc2	PC-id_101493843	147.217	PTOMSWRRWXEJOW-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-002523
C=C[C@]1(C)CCn2c1ccc2	PC-id_101493844	147.217	PTOMSWRRWXEJOW-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002524
CC(C1C=Cn2c1ccc2)C	PC-id_19070293,SCHEMBL4331588	147.217	VSWUWZJXMRATTF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002525
CC(C1=CCn2c1ccc2)C	PC-id_54131388,SCHEMBL9516787	147.217	NUPVPGUNAPVFGU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002526
CCc1c[nH]c2c1C=CC2C	PC-id_134364929,SCHEMBL19992353	147.217	ASEOBINRHHDKJW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002527
CCCC1C=Cn2c1ccc2	PC-id_141412920	147.217	GVAIHNFEUOSBEN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002528
CCCn1ccc2=CCC=c12	SCHEMBL19087978	147.217	KGISQQMWJJOOJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002529
n12c(C(CC1)(C)C=C)ccc2	PC-id_46177866	147.217	PTOMSWRRWXEJOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002530
n1(c(=C)c2c(CCC2)c1=C)C	PC-id_60070085	147.217	CSSVGNJMBOPQTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002531
C[C@H]1NC(=O)c2c1[nH]c(c2)B	SCHEMBL15244030	147.97	QYTBLYYXXQOPOK-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002532
C1C=C(C2=CC=CN21)C(=O)[O-]	PC-id_149254062	148.04	ICPQARMBESXDTH-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-002533
C1C=CC2=CC(=CN21)C(=O)[O-]	PC-id_151862740	148.04	SLAYGUNZMVWJTF-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-002534
C1C=CN2C1=CC=C2C(=O)[O-]	PC-id_153994238	148.04	KNEIBSOXAOADFK-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-002535
C1C=CN2C1=C(C=C2)C(=O)[O-]	PC-id_154153402	148.04	SBEMZYKNGRTYIQ-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-002536
C1C=C(N2C1=CC=C2)C(=O)[O-]	PC-id_154454110	148.04	FFRUORGNLCHEBP-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-002537
C1C=CC2=CC(=CN21)C(=O)N	PC-id_153364438	148.064	NWVTUISYUGJGEL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002538
C1CNC2=C1NC(=N2)CC#N	PC-id_153779704	148.075	WQLKPBRKENVBFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002539
CC1=CCC2=NC(=C(N12)C)C	PC-id_154248494	148.1	BSQMIULOFYPLBP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002540
CC1=NC(=O)c2[c-][nH]c(c12)[O-]	PC-id_135975842	148.119	AQXOARVZFIWGJI-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-002541
o1c2=CC(=C)C=c2nc1N=O	PC-id_85630506	148.119	QAXONCCMIPATHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002542
o1c2c(nc1N=O)C(=C)C=C2	PC-id_85630319	148.119	GQEKHVHNBXDDAN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002543
O=C1Nc2n(C1)cnc2C#N	PC-id_15722011	148.122	PRTBVRPPFRHOMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002544
[O-]C(=O)C1c2n(C=C1)ccc2	PC-id_20528169	148.139	IELVZKKFWNCUAQ-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-002545
OC(=O)c1cc2c([nH]1)C=C[CH]2	SCHEMBL17335757	148.139	GTCCQLAMJMXENK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002546
OC(=O)C1=C[CH]n2c1ccc2	SCHEMBL15146070	148.139	HMLIFOAQKLZUIX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002547
C1Cc2c(C1)n(cc2C#N)O	SCHEMBL20631142,PC-id_137399507	148.162	MKMZWFUQXOLKDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002548
C1C=Cn2c1ccc2C(=O)N	SCHEMBL19900708,PC-id_134285028	148.162	ZUVNCXGGKQRHRK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002549
c1(C#N)c2CCCc2oc1N	EMOLS-id_317691020,PC-id_82044001,MCULE-8190336240	148.162	LMHZMUBZBSANNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002550
CC1=Cc2cc(nn2C1=O)C	PC-id_89449935,SCHEMBL14791521	148.162	SYJJGEDDXCGYEM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002551
CC1=CC(=O)n2c1cnc2C	SCHEMBL12616397,PC-id_68328830	148.162	QTNKFSMEYMEDTB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002552
Cc1cn2c(n1)C=C(C2=O)C	SCHEMBL17263778,PC-id_118516509	148.162	VDPGAHQVGAOBQW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002553
C#CC1(CCn2c1cnc2)O	SCHEMBL11970982,PC-id_88861589	148.162	RLZVRVKKHFYHAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002554
C#CC1(CCn2c1ncc2)O	PC-id_86669575,SCHEMBL11971013	148.162	OMZUOIKLOAZGAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002555
C#Cc1nn(c2c1COC2)C	PC-id_137437040,SCHEMBL20673858	148.162	MVEJCEARJAUUDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002556
CC(=O)C1N=Cn2c1ccc2	PC-id_138682208,SCHEMBL21054550	148.162	PYCCGAOTIIWBJG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002557
n1c2CCCc2oc1CC#N	PC-id_83949662,MCULE-7663471568	148.162	OAVHAFRKZIVQLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002558
NC(=O)C1=CCc2n1ccc2	PC-id_142295098	148.162	BRTBOAZAYJTUIR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002559
NC(=O)c1ccc2n1CC=C2	SCHEMBL7873898,PC-id_70213811	148.162	CGSDNBWMUPGNPD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002560
NC(=O)c1ccn2c1CC=C2	PC-id_139434804,SCHEMBL21296626	148.162	SAIPNBCEFUZAKI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002561
NC(=O)C1C=Cn2c1ccc2	PC-id_18352169,SCHEMBL3892310	148.162	JTUWNABIECXPHU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002562
NC(=O)C1=CCn2c1ccc2	SCHEMBL3892311,PC-id_68828670	148.162	CZTAZXAVCUOKJY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002563
NC(=O)C1=Cn2c(C1)ccc2	PC-id_141331541	148.162	VUONPJGTSHXQJJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002564
o1c2CC(=C)C(=NC)c2nc1	PC-id_53828349	148.162	GARRNMYTDUSHGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002565
O1c2n(CC1)ccc2CC#N	PC-id_84763060	148.162	GVVFLQAXTQTVLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002566
O1c2n(CC1)cc(c2)CC#N	PC-id_84763061	148.162	POUQPIMNCFIKOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002567
O1c2n(CC1)c(cc2)CC#N	PC-id_84763062	148.162	RRSRHDWTPHDCRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002568
o1nc2c(CCC2)c1CC#N	PC-id_83858708	148.162	UECJWODWGPOUQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002569
O=C1n2c(c(nc2C=C1)C)C	PC-id_23661136	148.162	AZUJUHQAALCAJO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002570
O=C1n2c(c(nc2C)C)C=C1	PC-id_10558770	148.162	LWBGDZHPJZHCSE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002571
O=C(c1nn2c(c1)C=CC2)C	PC-id_20744101	148.162	HOYUVBVXEFYRNP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002572
O=C=Nc1ccc2n1CCC2	PC-id_112716685	148.162	NDBFVNIIKRMITD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002573
O=C=Nc1cn2c(c1)CCC2	PC-id_112716684	148.162	XXXXGEDLKZXJQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002574
c12CNCc1nn(C)c2C#N	EMOLS-id_324357223,MCULE-7198730619,PC-id_105429197	148.165	YNCUPZFETVDLRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002575
c12N(C)CCn1ncc2C#N	EMOLS-id_317869040,PC-id_83678848,MCULE-3924930100	148.165	WCMUVYVIJQWFDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002576
c12N(C)CCn1nc(C#N)c2	EMOLS-id_320440599,MCULE-4939414678,PC-id_82651466	148.165	GMMYWEAHAYOXOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002577
C1Cn2cc(nc2N1)CC#N	PC-id_136302392	148.165	MWPICWZXJUTAMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002578
C1CNc2n[nH]c(c12)CC#N	PC-id_137215111	148.165	WLORXIJBDNIBPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002579
c1(C#N)n2CCCc2nc1N	TIMTEC500433,ZINC22_12363450,MCULE-9124510097,PC-id_15062528,EMOLS-id_2723175	148.165	VHWJRWLIACERSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002580
Cc1c2CC(Nc2n[nH]1)C#N	PC-id_137215112	148.165	FDDXYZNTHYJLAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002581
Cc1c2NCCn2nc1C#N	PC-id_137174741	148.165	YLIOIFLEERPUIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002582
C(c1n[nH]c2c1CNC2)C#N	PC-id_96636310	148.165	CSXCAWWUGZIFNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002583
Cn1c(c2CCNc2n1)C#N	PC-id_137178163	148.165	RXRPONGSVLQTGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002584
n12CCCc1nc(c2N)C#N	PC-id_82417637	148.165	QENIONXGAIUYIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002585
n12CCCc1nnc2CC#N	PC-id_23008634,MCULE-6880867980,ZINC22_20216246,CoCoCo_6131777,EMOLS-id_14110504	148.165	JKEMBVCXDCOPEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002586
n12CCCc1nnc2C[N+]#[C-]	PC-id_83479391	148.165	NAUHYGUMBMNTDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002587
n12CCNc1cnc2CC#N	PC-id_84763073	148.165	ZVNYKMJZILDHSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002588
n12nc(nc1CCC2)CC#N	PC-id_84763075	148.165	QKZNJBXNRXOLFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002589
n12nc(nc1CCC2)C[N+]#[C-]	PC-id_83479392	148.165	DUAOWTDKHFUZGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002590
n1(c2CNCc2nc1)CC#N	PC-id_82417644	148.165	NJUSIWGUTQDGJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002591
N1c2c([nH]nc2CC#N)CC1	PC-id_82417636	148.165	HXUYAVIQZWWJIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002592
N1Cc2[nH]c(nc2C1)CC#N	PC-id_83949414	148.165	GRNZEPAFKLYMMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002593
N#Cc1nc2c(n1C)CNC2	PC-id_118614615,SCHEMBL17380893	148.165	HCJKEZMPYRSDEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002594
N#Cc1[nH]nc2c1CN(C2)C	PC-id_105429194,SCHEMBL16152040	148.165	JJTCOLXEXZZSAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002595
N#Cc1nn(c2c1CNC2)C	PC-id_105429195	148.165	FDGQWKZNIDOEPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002596
N#CN1Cc2c(C1)c([nH]n2)C	PC-id_118491741,SCHEMBL17232776	148.165	BCCKERSEYHIPQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002597
N#Cc1cc2c(s1)N=CC2	PC-id_141046343	148.185	UDSGKCZDPWSRQO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002598
C1=C[Si]c2ncc(n12)C=O	PC-id_91418118	148.194	INTRVNULKCSETL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002599
CC1=C(c2c(occ2C1)C)C	PC-id_91285298	148.202	DRCRDMVMTGIHGJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002600
CCC1=CCc2coc(c12)C	PC-id_91149007	148.202	NMDDZVLLPHQTCI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002601
CCCc1c2C=CCc2co1	PC-id_91478293	148.202	BNAPTQYNIFIDGP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002602
o1c2c(CC(=C2)C)c(c1C)C	PC-id_20823355	148.202	MBMULGMVKCQADG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002603
CC(c1cn2c(n1)CC=C2)C	PC-id_68078474,SCHEMBL10254863	148.205	SZOIPECTWIRQJS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002604
Cc1cc2c(s1)C(=C)C=C2	PC-id_118449689,SCHEMBL17179156	148.225	KCGQAGUSUCLOLF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002605
C#Cc1cc2CCCc2s1	MCULE-5662071027,EMOLS-id_313838772	148.225	JFOROEDTGMHZMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002606
C1C2=CN(C=C2C=N1)C(=O)[O-]	PC-id_150469403	149.036	HRMANVAJQNJDEN-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-002607
C1C=NC2=CC=C(N21)C(=O)[O-]	PC-id_153925948	149.036	PMWKWRNGZSEJDT-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-002608
C1C=NC2=CC(=CN21)C(=O)[O-]	PC-id_154485916	149.036	XPWYZWSEOWMMAW-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-002609
C1c2c(CN1C#N)n(nc2)N	PC-id_163966945	149.07	SMPNUYWGDWINIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002610
CN1Cc2c(C1)oc(c2)C=C	PC-id_163563502	149.084	FTGPHEKNRSJWEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002611
CC1C(=Nn2c1ncc2C)C	PC-id_164055392	149.095	WCEOIIFSMOYOSM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002612
o1c2N=CC(=C)c2nc1N=O	PC-id_85630323	149.107	FIEIJDOAWJEGAV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002613
CC(C)C1=C2CCCN2C=C1	PC-id_155187951	149.12	BXJAUMHWKCDVCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002614
CC(C)C1=CC=C2N1CCC2	PC-id_162027591	149.12	UWZUPFKVEJTXQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002615
CC(C)C1CCN2C1=CC=C2	PC-id_153746540	149.12	IJADZKSVGPHXKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002616
C1C=Cn2c1ccc2C(=O)O	PC-id_134285076,SCHEMBL19900768	149.147	KNEIBSOXAOADFK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002617
C1C=Cn2c1c(cc2)C(=O)O	PC-id_89717966,SCHEMBL15146069	149.147	SBEMZYKNGRTYIQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002618
o1c2CCCc2cc1N=C=O	PC-id_83914019	149.147	PCEZHAHXVGNATC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002619
O(c1c2n(cc1)C(=O)C=C2)C	PC-id_10749341	149.147	RSNJNWNWGHQIPM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002620
O=C1CCn2c1ccc2C=O	PC-id_11040858	149.147	AKFYZJKSKIFJJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002621
O=C1CCn2c1cc(c2)C=O	PC-id_82594642	149.147	FYZNHKXUNFIYCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002622
OCc1c2n(cc1)C(=O)C=C2	PC-id_10487015	149.147	UKIPUKBDUHVOSV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002623
O=Cc1cc2c([nH]1)C(=O)CC2	PC-id_144129315	149.147	HJRQIRDLCWUCHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002624
O=Cc1ccc2n1C(=O)CC2	PC-id_117273040	149.147	FROURZKDQPGNRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002625
O=Cc1ccn2c1C(=O)CC2	UNPD62685,PC-id_45083666,SCHEMBL1301732,CNP0305687	149.147	PMACSXXWMPSEIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002626
OC(=O)C1c2n(C=C1)ccc2	PC-id_20528170,SCHEMBL1650231	149.147	IELVZKKFWNCUAQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002627
OC(=O)c1c2n(CC=C2)cc1	PC-id_53782230,SCHEMBL10934358	149.147	DWBYLENBTDZZJH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002628
OC(=O)c1cc2c([nH]1)CC=C2	PC-id_57659926,SCHEMBL8153541	149.147	DGLWBHLKEWVARS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002629
OC(=O)c1cc2c([nH]1)C=CC2	SCHEMBL8151464,PC-id_57659970	149.147	DZABUNRPMVWAMW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002630
OC(=O)C1=Cc2n(C1)ccc2	PC-id_55301562	149.147	CWFUJZWTCYJMRI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002631
OC(=O)C1C=Cc2n1ccc2	PC-id_45084719,SCHEMBL7086330	149.147	QVGOOPZCMXRRJS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002632
OC(=O)C1=CCc2n1ccc2	PC-id_69983687,SCHEMBL7086329	149.147	FFRUORGNLCHEBP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002633
OC(=O)c1ccc2n1CC=C2	SCHEMBL6291343,PC-id_54534548	149.147	YYVXLTMWYDPJMP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002634
OC(=O)C1=CCn2c1ccc2	PC-id_53909250,SCHEMBL3693792	149.147	ICPQARMBESXDTH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002635
OC(=O)C1=Cn2c(C1)ccc2	PC-id_139763836	149.147	PTUNQCPFGLCMRB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002636
OC(=O)[C@@H]1C=Cc2n1ccc2	PC-id_93497143	149.147	QVGOOPZCMXRRJS-ZETCQYMHSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002637
OC(=O)[C@H]1C=Cc2n1ccc2	PC-id_93497144	149.147	QVGOOPZCMXRRJS-SSDOTTSWSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002638
c12COCc1nn(C)c2C#N	EMOLS-id_317874166,MCULE-1849080175,PC-id_105429283	149.15	JUQBGUNEAFUGHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002639
C1C=Cc2ncc(n12)C(=O)N	PC-id_90032050,SCHEMBL15558331	149.15	QQNQWOWCCWTBLR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002640
C1C=Cn2c1cc(n2)C(=O)N	PC-id_91486044	149.15	HFRGNXXZXQNPEC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002641
c1cn2C(C=Nc2c1)C(=O)N	PC-id_90032482,SCHEMBL15558885	149.15	BRZMPKDWTNMPDB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002642
Cc1c2CC(Nc2no1)C#N	PC-id_137229708	149.15	LHHSJRYUNOWORL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002643
C(c1cc2n(n1)CCO2)C#N	EMOLS-id_316790571,PC-id_84763107,MCULE-7546141252	149.15	YEQRWIUMLCVGSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002644
CC1=Nn2c(C1=O)ncc2C	PC-id_20426802,SCHEMBL10635819	149.15	FHBPBTJHHOLPHH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002645
n1c(N=C=O)cn2CCCc12	PC-id_112716691,MCULE-6359967574	149.15	GASCCRROSBVFKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002646
N#Cc1nn(c2c1COC2)C	SCHEMBL20673871,PC-id_105429281	149.15	NVAWVKIOVHGJKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002647
NC(=O)c1ccc2n1CC=N2	PC-id_141444990	149.15	VVHSLKNPMKGKAN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002648
NC(=O)c1ccn2c1N=CC2	PC-id_145186904	149.15	KMSIPENWDYUTQY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002649
NC(=O)c1[nH]nc2c1CC=C2	PC-id_55283802,SCHEMBL5082547	149.15	NLVOZISXXFOEIU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002650
NC(=O)c1[nH]nc2c1C=CC2	PC-id_55283803,SCHEMBL5083065	149.15	LAERHRRVIVXBED-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002651
o1c2c(nc1CC#N)CNC2	PC-id_83949296	149.15	VJTZJQFIAVOHHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002652
O1c2n(nc(c2)C[N+]#[C-])CC1	PC-id_83479414	149.15	KSODFKJUPHZFRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002653
O1Cc2n(cnc2C1)CC#N	PC-id_82417603	149.15	UHINCPDTIGUEIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002654
O1CCn2c1cnc2CC#N	PC-id_84763108	149.15	URCPUWBMGQVYBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002655
O1CCn2c1nc(c2)CC#N	PC-id_82417607	149.15	RZQPQCDJWKIHRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002656
O1CCn2c(cnc12)CC#N	PC-id_84763106	149.15	XAQPVWHOWFSUJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002657
OC1Cc2c([nH]nc2C#N)C1	PC-id_83854573	149.15	UVRSEAMKBJDLPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002658
O=C=Nc1cnc2n1CCC2	PC-id_112716690	149.15	CKQASZOFRNSOON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002659
O=C=Nc1n2CCCc2cn1	PC-id_83914022	149.15	RVJYUJRLAOFWTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002660
O=C=Nc1nn2CCCc2c1	PC-id_83914023	149.15	POQJRYHCKIVGNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002661
c12N(C)CCn1nc(C#N)n2	MCULE-1908088783	149.153	XLACQYMPNRSASP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002662
C1Cn2c(c(c(n2)C#N)N)N1	PC-id_136337857,SCHEMBL1075988	149.153	OBMODDOKRPQIDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002663
C1Cn2c(nc(n2)CC#N)N1	PC-id_136302394	149.153	CVIASPIFSBZSIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002664
N#Cc1nn2c(c1)N(CC2)N	PC-id_141348976	149.153	MPJJQRNSXHRCBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002665
[N-]=[N+]=NC1CCn2c1ncc2	PC-id_118421303,SCHEMBL17145010	149.153	NMDUMENUJAEOLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002666
O=C1n2c(C=[N+]1C)ccc2C	PC-id_20783432	149.17	KUROSJCDRSLVKB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002667
O=C1[N+](=Cc2n1ccc2)CC	PC-id_20783496	149.17	CVWBVKZOWMCDDD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002668
Cc1cc2CCCn2c1C=O	HMDB0040047,PC-id_6429126,CNP0185144,SCHEMBL9845979	149.19	NWFQKPJYEJRQRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002669
CC1(Cc2cccn2C1=O)C	PC-id_90856579	149.19	ZPHAURZISDQBHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002670
CC1CCc2ccc(C=O)n12	MCULE-8703441813,EMOLS-id_32962,PC-id_45064163	149.19	WHYURSQFKXVCIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002671
Cc1cc(C=O)c2CCCn12	SCHEMBL18065860,HMDB0040029,PC-id_45083652,CNP0335600	149.19	LNXCMFJNJNUFNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002672
CC1(Cn2cccc2C1=O)C	SCHEMBL14249405,PC-id_89287918	149.19	DQXWPYZRPONOIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002673
CC(=C1CCc2c1ocn2)C	SCHEMBL10159187,PC-id_58085770	149.19	ZIUPDBHYWNNSAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002674
CCc1ccc2n1CCC2=O	PC-id_89596170,SCHEMBL14986319	149.19	FRQNFPSOGVEETM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002675
CCc1cn2c(c1)C(=O)CC2	SCHEMBL18463618	149.19	BGLDQILFQCHYAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002676
C[C@@H]1[C@H](C)n2cccc2C1=O	EMOLS-id_336566805	149.19	AWMUZHYMAGSTAT-RQJHMYQMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002677
CC(=O)c1ccc2CCCn12	HMDB0040051,CNP0174678,PC-id_526559,SCHEMBL16991626	149.19	NWSCEJHRUVCUSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002678
CC(=O)C1CCn2c1ccc2	PC-id_101671065	149.19	QBVGKZVLBMWHJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002679
Cn1cc2c(c1)CC(C2=O)C	PC-id_112714110	149.19	SDFBKISFRAMVEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002680
o1c2C(C(=Nc2cc1)C)(C)C	PC-id_86050639	149.19	HHZVOZACGSIYIU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002681
O=C1c2c(CC1)c([nH]c2C)C	SCHEMBL11332957,PC-id_23456178	149.19	SCVMFKGTORBCOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002682
O=C1c2c(n(c(c2)C)C)CC1	PC-id_83815306	149.19	CPCSBTAGTFEBMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002683
O=C1c2c[nH]cc2CC1(C)C	PC-id_112714109	149.19	CETDCYXRFXQAKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002684
O=C1c2c([nH]c(c2C)C)CC1	PC-id_15324800	149.19	GZQBBIXHMANGKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002685
O=C1c2c([nH]c(c2)CC)CC1	PC-id_83815307	149.19	KLTUOWWDXLHVSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002686
O=C1c2n(c(cc2CC1)C)C	PC-id_12416656	149.19	HUFGWMLCLBYGCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002687
O=C1CC(c2c1c[nH]c2)(C)C	SCHEMBL16547778,PC-id_117935814	149.19	QXDWPXDYVWXNJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002688
O=C1CC(n2c1ccc2)CC	PC-id_83635360	149.19	IJNJSRMJFPYUCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002689
O=C1CCn2c1c(C)cc2C	PC-id_96733634	149.19	SBWDTNJZAMVEKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002690
O=C1Cn2c(C1)cc(c2C)C	PC-id_70469282,SCHEMBL10904948	149.19	DQPVWRJPEYGVEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002691
O=Cc1c2CCCc2[nH]c1C	PC-id_82417564	149.19	QLJIEJMCJKHCJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002692
O=C(c1c2CCCc2[nH]c1)C	PC-id_82594677	149.19	HKIDCEGPXKUFFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002693
O=Cc1c2c(n(c1)C)CCC2	PC-id_82417576	149.19	CDQIDCIMYAWKQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002694
O=C(c1c2n(CCC2)cc1)C	PC-id_15439780	149.19	WRBLXOFYTXAKGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002695
O=Cc1c2n(CC(C2)C)cc1	PC-id_11159397	149.19	UCKREUMKNJPYEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002696
O=Cc1c2n(C[C@@H](C2)C)cc1	PC-id_29937648	149.19	UCKREUMKNJPYEU-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002697
O=Cc1c2n(C[C@H](C2)C)cc1	PC-id_29937653	149.19	UCKREUMKNJPYEU-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002698
O=Cc1cc2n(c1C)CCC2	PC-id_96636267	149.19	DWZWTSHBTFZGNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002699
O=CC1CCc2n(ccc12)C	PC-id_83479429	149.19	CXMDBUBTDZHXDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002700
O=C(c1cn2CCCc2c1)C	PC-id_82594676	149.19	XFKNFKGPDQMDMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002701
O=Cc1n(c2CCCc2c1)C	PC-id_82417561	149.19	ODHNQEHIRJHTMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002702
O=Cc1[nH]c2c(CCC2)c1C	PC-id_45083648	149.19	JWZLYAKCRIEMNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002703
O=C(c1[nH]c2CCCc2c1)C	PC-id_82417563	149.19	KCZISQWCRMIYTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002704
O=Cc1[nH]c(c2c1CCC2)C	PC-id_84649316	149.19	QLMBGKYZGLJFHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002705
OCCC1c2n(C=C1)ccc2	PC-id_66722016,SCHEMBL547900	149.19	TUHZZRLHXGPOAX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002706
OCCC1=CCn2c1ccc2	SCHEMBL547901,PC-id_66722017	149.19	SEJTVMOONJYSEE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002707
CC(c1nnc2n1C=CC2)C	PC-id_140925366	149.193	IWLSBYYDIXUWPI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002708
CC(c1nnc2n1CC=C2)C	SCHEMBL11914624,PC-id_58783642	149.193	ORJUUCYQGXCZQS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002709
C=CCc1nnn2CCCc12	EMOLS-id_48664042,MCULE-9578932155,PC-id_71747117	149.193	VAKUVDMSOXXRHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002710
CNN=C1CCn2c1ccc2	EMOLS-id_114352088	149.193	RMTOWGKDFAUTSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002711
n12CC(=C(c1nnc2C)C)C	PC-id_20650412	149.193	IDRNYJXZXVNTBN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002712
n12nc(c(c1CN=C2C)C)C	PC-id_20646346	149.193	NKRXCGYOJRDZCI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002713
n12nc(c(c1N=C(C2)C)C)C	PC-id_59119704	149.193	HBQZKZFQMZOPHA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002714
n12N=C(Cc1nc(c2C)C)C	PC-id_59119715	149.193	YWNXXGZNGYGGIQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002715
n12nc(nc1C(=C(C2)C)C)C	PC-id_20650442	149.193	PSOSJRUUNAACNH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002716
n12nncc1C(=C(C2C)C)C	PC-id_12356913	149.193	LJKCGBAPFUAGOK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002717
n12nnc(c1C(=CC2C)C)C	PC-id_24975443	149.193	HMULBIYYZCUAJB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002718
n1(ncc2c1CNC2)CC=C	PC-id_84751056	149.193	GWUMZTSSMQTVOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002719
NCC=C1CCn2c1ncc2	EMOLS-id_303234461	149.193	ZFJRCAPJFQTDEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002720
[Si]1=CCn2c1ncc2C=O	PC-id_58624182	149.202	DZKLQNNHEOTHRE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002721
c1(C#N)csc2CCCc12	MCULE-9978458288,EMOLS-id_114352201,PC-id_28325877	149.213	NDTNWSZKPKWJGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002722
C=CCc1c[nH]c2[n+]1CCC2	SCHEMBL15526080,PC-id_90008806	149.213	SGZYAFCVDFUMBA-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-002723
C=CCn1cc[n+]2c1CCC2	SCHEMBL15334206,PC-id_89861031	149.213	OWHDRYDNFQBICN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002724
n1c2CCCc2sc1C#C	MCULE-7959900267	149.213	FZNUOVLBVVURBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002725
N#Cc1cc2CCCc2s1	PC-id_63023858,EMOLS-id_39541889,MCULE-6288071921	149.213	HDVPNKAYACUFRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002726
Cc1n(C)c2c(c1C)CCC2	PC-id_118372975,SCHEMBL17085625	149.233	KBZNIGYOUUBSMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002727
Cc1[nH]c2c(c1C)CCC2C	SCHEMBL13255098,PC-id_59411389	149.233	ZYHRFAJZVJAHAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002728
Cc1[nH]cc2c1CC(C2)(C)C	SCHEMBL20892615,PC-id_138538757	149.233	QYNYPUAZAGEWSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002729
CCc1c2C(CCn2cc1)C	PC-id_89706278,SCHEMBL15131245	149.233	GBMOJXJRYMARHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002730
CCC1(C)CCc2c1cc[nH]2	PC-id_20767747,SCHEMBL8310269	149.233	IXFAYWGWKUYIHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002731
CCC1CC(C)n2cccc12	EMOLS-id_38024	149.233	ZJBBBSDCTPANQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002732
CCC1C(Cn2c1ccc2)C	PC-id_90292659	149.233	JBQNYUWQNIAQJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002733
CC(C)c1cc2c([nH]1)CCC2	PC-id_90756015	149.233	YOVCFWNVGJCLHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002734
CC(C)C1CCc2cccn12	PC-id_91665356	149.233	FJAKYBNPPQGWDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002735
CC[C@@H]1[C@H](C)Cn2c1ccc2	SCHEMBL15889953	149.233	JBQNYUWQNIAQJM-RKDXNWHRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002736
n12c(CCC1)cc(c2)CCC	PC-id_15720824	149.233	ZEXMEFQKMVDNGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002737
n12c(CCC1)cc(c2)C(C)C	PC-id_15720825	149.233	NRYRNHMQAVLFKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002738
n12c(CCC1)c(c(c2)CC)C	PC-id_85768146	149.233	RFNMTOONQFFNKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002739
n12CC(C(c1ccc2)(C)C)C	PC-id_86240654	149.233	JYVYMWBBAOQYRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002740
n1(c2c(CCC2)cc1CC)C	PC-id_13128874	149.233	DXAJEMRTXPKROG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002741
[nH]1c2c(CCC2)c(c1CC)C	PC-id_59957332	149.233	QUOFYZSAGIAUDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002742
[nH]1c(c2CCCc2c1)C(C)C	PC-id_58029722	149.233	PSOYCIQCJDAVAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002743
OB(O)C1c2n(N=C1)ccc2	PC-id_77596489	149.943	YQJVEUDOXVHXJZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002744
C1C2=CC(=CN2CS1)C#N	PC-id_153796518	150.025	DNHCPQRUPFZTKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002745
C1C=[SiH]C2=NC=C(N21)C=O	PC-id_147197687	150.025	CCRWMSVHDJTNLK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002746
C1N2C=CC=C2C(S1)C#N	PC-id_154507958	150.025	YHEODUNBGJAIHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002747
s1c2CCCc2nc1[B]C	PC-id_68273510	150.029	VELDBHARGFJGDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002748
C1C2=C(C=N1)N(N=C2)C(=O)[O-]	PC-id_153699631	150.031	XKCXJDFWIKGKPT-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-002749
C1C2=CN(N=C2C=N1)C(=O)[O-]	PC-id_149254076	150.031	QWZMSNKFIOTAPR-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-002750
C1CC(=O)c2cn(nc12)[AlH2]	PC-id_163936884	150.037	RNPBBEJIGXOVKE-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-002751
C1C=CC2=NC=C(N21)C(=O)O	PC-id_153553519	150.043	NLGXPMGSSHJRSD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002752
C1C=NC2=CC=C(N21)C(=O)O	PC-id_153925942	150.043	PMWKWRNGZSEJDT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002753
C1C(=NC2=CC=CN21)C(=O)O	PC-id_154462377	150.043	PNBODTSFLCCRQC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002754
C1C=NC2=CC(=CN21)C(=O)O	PC-id_154485917	150.043	XPWYZWSEOWMMAW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002755
CC1=CCC2=C1SC=C2C	PC-id_147026861	150.05	AWVCVLBOSMSDCJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002756
C1C2=C(C(=N1)C=O)C(=NN2)N	PC-id_151364511	150.054	KJDZKLNCGIFITM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002757
C1CC2=C(C1)NC(=C2)C(=O)[O-]	PC-id_154461738	150.056	BSRVSYHHHOIGSO-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-002758
C1CC2=CC=C(N2C1)C(=O)[O-]	PC-id_153895386	150.056	CCRSWJWPFIBLAK-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-002759
C1CN2C=CC=C2C1C(=O)[O-]	PC-id_152745368	150.056	MAPSJTFQCGOIJY-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-002760
C1CC2=CC(=CN2C1)C(=O)N	PC-id_153364210	150.079	APZWTCAHQANODC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002761
Cc1nn2C(=NCc2c1N)C	PC-id_163686074	150.091	SCEIRBHSLRZTMG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002762
o1c2N=NC(=C)c2nc1N=O	PC-id_85630325	150.095	YUWJCGOTXUZUON-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002763
CC1(CCN2C1=CC(=N2)[NH-])C	PC-id_154432316	150.104	AQGBQHRBTZZWQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002764
CCn1c(c2CCCc2n1)[NH-]	PC-id_164157054	150.104	ZJQSMCAFOLNLCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002765
OC(=O)C1=Nc2c([CH]1)occ2	EMOLS-id_330346576	150.112	JGDMEJLUNNEIHQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002766
CC1CCC2=NN(C(=C12)C)C	PC-id_148883468	150.116	PDNJMRDHXQVIKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002767
CCCc1c2CCCn2nc1	PC-id_163670178	150.116	JBVMYJAFIGBRGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002768
CC[C@@H]1CCC2=C(NN=C12)C	PC-id_153403988	150.116	AQOGPYGADJGXDY-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002769
C[C@@H]1CC2=C(N1)NC(=C2C)C	PC-id_163741891	150.116	LIMGAKWPUKBKIJ-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002770
CCn1c2c(cn1)[C@H](CC2)C	PC-id_163916055	150.116	QWIIZSBSUSNMMO-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002771
Cc1cc2c(o1)C(=C)C(=O)O2	PC-id_90153601,SCHEMBL15713305	150.131	SCQCCAAGURPTFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002772
o1c2CCC(=O)c2cc1C=O	PC-id_82417528	150.131	CNSKOXYOUKPTLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002773
C1c2cn(cc2C=N1)C(=O)O	PC-id_91001065	150.135	HRMANVAJQNJDEN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002774
CC1=C(C(=O)c2c1[nH]nc2)O	PC-id_136145059	150.135	RPNPVHGASOEZFC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002775
CC1=NC(=O)c2c1[nH]c(c2)O	PC-id_136145064	150.135	WRRZFKRFSXKDER-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002776
CC1=NC(=O)c2c[nH]c(c12)O	PC-id_136011099	150.135	LJNMEVVSVKYSRI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002777
Cn1cc2c(c1O)C=NC2=O	PC-id_136070283	150.135	IQILCEFZGZOFJX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002778
CN1C(=O)c2c(C1=O)c[nH]c2	SCHEMBL16870058,PC-id_14905688	150.135	CHAQKKNTBVCPFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002779
o1c2CC(=O)C(=NC)c2nc1	PC-id_59974429	150.135	YOIIXYZMNMUFKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002780
O1Cc2c(onc2CC#N)C1	PC-id_82417522	150.135	UCCYHBNPEYEPMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002781
o1nc2CCCc2c1N=C=O	PC-id_83802856	150.135	UITKCXQDISNUBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002782
o1nc(N=C=O)c2CCCc12	PC-id_83914038	150.135	VVSYFOMANLNAKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002783
O=C1c2c(NC1)[nH]c(c2)C=O	PC-id_82417524	150.135	UCFDJVTWKOWBBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002784
O=C1NCc2c1c[nH]c2C=O	PC-id_82594712	150.135	LEQKCTFJSQMDTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002785
O=C1NCc2c1c([nH]c2)C=O	PC-id_82594713	150.135	SAWYSHOAFMUUCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002786
O=C1NCc2c1[nH]c(c2)C=O	PC-id_82417519	150.135	WYHSUPTUTAFBES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002787
O=C1NC(=O)c2c1cn(c2)C	PC-id_12958503	150.135	FHSFXZCJWNYLOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002788
OC(=O)C1C=Cc2n1cnc2	PC-id_69434184,SCHEMBL5418447	150.135	AIHKBOPAIZXRCB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002789
OC(=O)c1cnn2c1CC=C2	PC-id_140143437	150.135	IQEUZPDPMNETSE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002790
OC(=O)c1cnn2c1C=CC2	SCHEMBL19207540	150.135	QTSWEGJMCJDBRZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002791
OC(=O)c1[nH]nc2c1CC=C2	PC-id_23135158,SCHEMBL18510323	150.135	LYTOORLVUVBTDZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002792
OC(=O)c1nn2c(c1)C=CC2	SCHEMBL19207769	150.135	IATCEXDXRBSKDF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002793
C1C=Cc2nc(nn12)C(=O)N	SCHEMBL20268102,PC-id_135123086	150.138	QOORSDFYDSNHFR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002794
N#Cc1[nH]c2c(n1)CN(C2)O	SCHEMBL17380121,PC-id_118613865	150.138	UYTLWJSMNCQFAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002795
NC(=O)c1ccc2n1CN=N2	PC-id_142335917	150.138	JZIXZXYEEVCGLG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002796
NC(=O)c1ccn2c1N=NC2	PC-id_141504005	150.138	FNXPBBJUUQKFPV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002797
NC(=O)c1cn2c(n1)N=CC2	PC-id_145222621	150.138	AAVOZDIWIYNQTG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002798
NC(=O)c1cnc2n1CC=N2	PC-id_142784654	150.138	QTALDYLEEQLOIV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002799
NC(=O)C1=Nc2n(C1)ccn2	PC-id_144508766	150.138	JOQDHAGLQVJRHH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002800
NC(=O)C1=Nn2ccnc2C1	EMOLS-id_330979131,MCULE-7343427154	150.138	MDPATAZSSATBJP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002801
NC(=O)c1n[nH]c2c1C=NC2	SCHEMBL16534153,PC-id_117925258	150.138	RNJYQCULBYQBEO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002802
NC(=O)n1cc2c(n1)C=NC2	PC-id_141428202	150.138	SIKWNPYYCSVEDA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002803
O1CCn2c1nnc2CC#N	PC-id_84763175	150.138	BRESZDSCGZNJBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002804
O1CCn2nc(nc12)CC#N	PC-id_84763174	150.138	HYNYLQOPWLITGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002805
O=C=Nc1n2CCCc2nn1	PC-id_83914039	150.138	DCWHENLCJRIDOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002806
O=C=Nc1nn2CCCc2n1	PC-id_83914040	150.138	UIRIZIPEONRDCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002807
CN=C1c2c(nc([nH]2)N)N=N1	PC-id_137182383	150.141	XEIPAFHKKUEDGY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002808
CCOc1cc2n(n1)[CH]C=N2	SCHEMBL19547306	150.158	MZXIRFPJZTYEHE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002809
OCCC1=Cc2c([N]1)[nH]cn2	SCHEMBL6028588	150.158	MNOPCAFOMVZCQS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002810
o1c2c(CCC2)c(c1C)C=O	PC-id_82417493	150.174	ZYLWUDBWJQMNJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002811
o1c2c(CCC2=O)cc1CC	PC-id_83905025	150.174	VYLGHPXZKCIKOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002812
o1c2CCC(=O)c2cc1CC	PC-id_83815318	150.174	IMKPVRCVOOLFCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002813
O=C1c2occc2CC1(C)C	PC-id_112714113	150.174	XZSJLAFZHNITNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002814
Cc1cc2c(o1)C(=O)C(C2)C	PC-id_112714117	150.175	JAQTYQKAOFZLHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002815
Cc1oc2c(c1)C(=O)C(C2)C	PC-id_112714119	150.175	ZMOLIVZQRMGVKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002816
o1c2CCCc2cc1C(=O)C	PC-id_10374604	150.175	QJYVFERIOAJANM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002817
O=C1c2ccoc2CC1(C)C	PC-id_112714115	150.175	ZCQYFFQHAHDTES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002818
O=C1c2cocc2CC1(C)C	PC-id_112714114	150.175	NRUCJGHHTOPBNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002819
c12C(C)CCc1n[nH]c2C=O	EMOLS-id_330987455,MCULE-1571308892	150.178	NDKUQHXGEJAOAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002820
c12ccn(C)c1C(=O)N(C)C2	PC-id_45092535,EMOLS-id_54823796,ZINC22_39095043,MCULE-7476038293	150.178	LRDKLXQTEYALST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002821
C1Cc2c(C1)[nH]cc2C(=O)N	PC-id_91508433	150.178	NSCWUPPKRYFFJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002822
C1Cc2ccc(n2C1)C(=O)N	PC-id_134285038,SCHEMBL19900719	150.178	NLIFLQAHRVJVMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002823
C1Cc2c(ccn2C1)C(=O)N	PC-id_89723188,SCHEMBL15152326	150.178	AXACAAMZBOJUEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002824
c1(C=O)c2CCCc2nn1C	PC-id_83862943,ZINC22_107300540,MCULE-6317601335,EMOLS-id_114353174	150.178	FKEXIEJTCIPBAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002825
C1(=O)c2cnn(C)c2CC1C	MCULE-1263140881,PC-id_112714123	150.178	QFTCIACAHAICOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002826
C1(=O)NCc2ccc(CC)n12	ZINC22_28226803,EMOLS-id_49804813,MCULE-1766636866	150.178	VJLZYAIQOHYRBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002827
CC1c2c(cc([nH]2)C)C(=O)N1	PC-id_89793590,SCHEMBL17269724	150.178	ZBQMYOIZRJJPLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002828
CC1=c2c(=NC1)c(c([nH]2)O)C	PC-id_137200800	150.178	ICUAXQOWXXKQQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002829
CC1Cc2c(/C/1=N/O)cc[nH]2	PC-id_145708126,EMOLS-id_313139296	150.178	FAHSVTOYKYKBMR-CSKARUKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002830
CC1Cc2[nH]ccc2C1=NO	EMOLS-id_303909361,MCULE-6132213832	150.178	FAHSVTOYKYKBMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002831
CC1(C)Cc2c[nH]nc2C1=O	PC-id_15761471,EMOLS-id_337429976	150.178	BPAPVWBRXMCDHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002832
Cc1ccc2n1C(=O)N(C2)C	SCHEMBL13208060,PC-id_89038286	150.178	YTHAORLYNLUGDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002833
CC1(C)CC(=O)c2ccnn12	EMOLS-id_336565014	150.178	QCMMSSKKFFYPAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002834
CC1(C)Cn2cncc2C1=O	MCULE-4007188536,EMOLS-id_43338264,PC-id_71742263	150.178	BPEXJBLMFWNMJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002835
Cc1c(C)n2n(c1=O)C=CC2	PC-id_118365773,SCHEMBL17076920	150.178	KGIFYTRRHOTJPD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002836
CC1(C)Cn2nccc2C1=O	SCHEMBL18338406,MCULE-3838899659,EMOLS-id_195883177	150.178	HBGNWKNAPIMMNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002837
Cc1nn(C)c2CCC(=O)c12	EMOLS-id_330475501,PC-id_83861304	150.178	LYHCXDWHQKYGTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002838
Cc1nn(C)c2CC(=O)Cc12	EMOLS-id_337958684	150.178	WYQBUSCUAPUNGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002839
CCC1c2c(cc[nH]2)C(=O)N1	PC-id_89793832,SCHEMBL17258156	150.178	SDPWGPLFDIBDQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002840
CCc1cc2c([nH]1)CNC2=O	SCHEMBL17269731,PC-id_118521491	150.178	IFBMVHYFBZHSKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002841
CCC1CC(=O)c2ccnn12	EMOLS-id_336566038	150.178	VNOOQLNMZVERAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002842
CCC1C(=O)Nc2cccn12	PC-id_89233285,SCHEMBL14048087	150.178	KRPVOTPPCLDLJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002843
CCc1nc2c([nH]1)CCC2=O	PC-id_142345733	150.178	MQEOOPUUIBZRPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002844
CCC1NC(=O)c2c1cc[nH]2	PC-id_144089973	150.178	XGBHXYHVPIHPHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002845
C=Cc1nn(c2c1COC2)C	SCHEMBL19118072	150.178	NRZGMUSMMGOCRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002846
CC[C@H]1NC(=O)c2c1[nH]cc2	SCHEMBL15243928	150.178	SDPWGPLFDIBDQO-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002847
C[C@@H]1NC(=O)c2c1[nH]c(c2)C	SCHEMBL15243638,PC-id_83668418	150.178	ZBQMYOIZRJJPLE-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002848
C[C@H]1NC(=O)c2c1[nH]c(c2)C	SCHEMBL15243643	150.178	ZBQMYOIZRJJPLE-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002849
CCN1Cc2n(C1=O)ccc2	PC-id_142470854	150.178	VAOIZHLSCWAVFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002850
CCn1ccc2c1CNC2=O	PC-id_141379814	150.178	QQIQUWRJRBKDPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002851
CC(=O)c1cc2CCCn2n1	EMOLS-id_62513609,MCULE-8567594393,PC-id_20744102	150.178	TUIXVXUNWLUOTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002852
CC(=O)C1CCc2c1[nH]nc2	PC-id_57907392,SCHEMBL11983450	150.178	LAIKTXLKWXWCET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002853
CC(=O)C1CCc2n1ncc2	PC-id_58126651,SCHEMBL12878405	150.178	GHXXHNGJLAAWFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002854
CC(=O)c1cn2c(n1)CCC2	SCHEMBL14701710,PC-id_82594726	150.178	MJYKISPKASQBQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002855
CC(=O)c1cnc2n1CCC2	PC-id_82594725,EMOLS-id_265113603	150.178	HMJUSURREVCSRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002856
CC(=O)c1cnn2CCCc12	MCULE-2743875997,PC-id_118155851,EMOLS-id_62513607,SCHEMBL16814051	150.178	AWQJHDMJLSBMKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002857
CC(=O)c1n[nH]c2CCCc12	PC-id_22507611,SCHEMBL12646066,MCULE-8073705251,EMOLS-id_315162789,EMOLS-id_313496248	150.178	MKPDCUCOGHPJRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002858
Cn1nc2c(c1)C(=O)C(C2)C	PC-id_112714122	150.178	SIXZBDJZECWSPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002859
Cn1nc(C=O)c2c1CCC2	PC-id_28808656,ZINC22_20270527,EMOLS-id_324155487	150.178	FHMALMRUMWFZBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002860
CON=C1CCn2c1ccc2	EMOLS-id_303515087	150.178	NKYVZUSEGKFZRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002861
NCC1Cn2c(C1=O)ccc2	SCHEMBL8829574,PC-id_45088268	150.178	WRTZCBCSWLGBFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002862
NC(=O)C1CCc2c1c[nH]c2	SCHEMBL11341425,PC-id_23456174	150.178	QWCKLXLZIARWFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002863
NC(=O)C1CCc2n1ccc2	PC-id_67631619,SCHEMBL8584156	150.178	ZVIQLBGOZHTNNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002864
NC(=O)C1CCn2c1ccc2	PC-id_18352168,SCHEMBL7873890	150.178	RBLNYAPVQBRFAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002865
NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_96340836	150.178	FBCJPNQYXJDBMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002866
o1c2CCCc2cc1C(=N)N	PC-id_83677369	150.178	UUQDLPYWDVPUJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002867
o1c2CCC(c2cc1)C(=N)N	PC-id_83681891	150.178	YIEJEHQYFGZIAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002868
O=C1c2c([nH]nc2CC)CC1	PC-id_83861316	150.178	SGZBSVWANATIKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002869
O=C1c2c(nn(c2C)C)CC1	PC-id_83905026	150.178	QXLVCJKQWOFRGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002870
O=C1c2cn[nH]c2CC1(C)C	PC-id_112714121	150.178	INHPMALRKGGLFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002871
O=C1c2n(CC1)c(nc2C)C	PC-id_82594719	150.178	GFXJNQVDPQEBDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002872
O=C1C(Cc2n[nH]c(c12)C)C	PC-id_83905028	150.178	FSGHQQODUYCXRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002873
O=C1CCn2c1nc(c2C)C	PC-id_83826334	150.178	MMHJTTXWQFDTIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002874
O=C1Nc2n(c(c(c2)C)C)C1	PC-id_13809861	150.178	WGICETGFKQPMMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002875
O=C1NCc2c1n(c(c2)C)C	PC-id_83479495	150.178	KKSZSOGHSLDPCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002876
O=C1N(Cc2c1[nH]cc2C)C	PC-id_59073864	150.178	MNDCJYNSHZTQJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002877
O=Cc1cc2c([nH]1)CCN2C	PC-id_98012812	150.178	LKZIKZXRHAIVTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002878
O=Cc1ccc2n1CCN2C	PC-id_96636186	150.178	BGDLGFVGVDXESQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002879
O=Cc1c(C)nc2n1CCC2	EMOLS-id_260093282,PC-id_82417467	150.178	GLKYGDWSYVLFKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002880
O=C(c1n2CCCc2cn1)C	PC-id_82651502	150.178	GIPBGPZZDRFMQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002881
O=Cc1n2CCCc2c(n1)C	PC-id_83479492	150.178	WKOYAAXFBSGDCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002882
O=Cc1nc2n(CCC2)c1C	PC-id_83479493	150.178	BSXAGEJDKWHWCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002883
O=Cc1nc(n2CCCc12)C	PC-id_82417490	150.178	YPXUNAVMVPHJKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002884
O=Cc1[nH]cc2c1CN(C2)C	PC-id_96636166	150.178	JRDYTBWKNPAHDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002885
O=CCc1n[nH]c2CCCc12	EMOLS-id_313876819,MCULE-2329106880	150.178	PKDLNYZCVFFBID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002886
O=CCn1c2CCCc2nc1	PC-id_82417484	150.178	PPSKCXKOCAZEEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002887
CC1C(=Nn2c1nc(n2)C)C	SCHEMBL15744458,PC-id_90179580	150.181	ARIULYSDYYATLX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002888
CC1=Nc2n(C1)nc(c2N)C	PC-id_69733287,SCHEMBL6288500	150.181	NZNPYWZNXALXQF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002889
CC(c1nnc2n1CC=N2)C	PC-id_58784143,SCHEMBL11914623	150.181	QRCXTJOCWGXROB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002890
CCC1N=Nc2n1nc(c2)C	SCHEMBL2271763,PC-id_67342620	150.181	SRMWICXUOMJHEG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002891
CC(C1N=Nc2n1ncc2)C	SCHEMBL2274719,PC-id_67343858	150.181	VRTAHBNLAUTOIG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002892
n12CCCc1cnc2C(=N)N	PC-id_83677882	150.181	HDKPOZIEFVEBNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002893
n12nc(cc1CCC2)C(=N)N	PC-id_83677843	150.181	COGLKOXHOJVRCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002894
n12nc(c(c1C(N=N2)C)C)C	PC-id_53778415	150.181	DTMMRKLBAZDZNW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002895
N1Cc2c([nH]nc2C(=C)N)C1	PC-id_68210976,SCHEMBL12181921	150.181	YNTFIWCOCLPYLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002896
NC(=N)c1c2c(CCC2)[nH]n1	EMOLS-id_313495991,EMOLS-id_70118698,MCULE-9180959792,PC-id_137166887	150.181	RXYHVVWYOYFLBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002897
NC(=N)C1CCn2ccnc12	EMOLS-id_178073046,MCULE-2251129507	150.181	BIJDZPSXRODWMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002898
[nH]1c2c(NNC2=C)nc1CC	PC-id_57216662	150.181	KMCSBKYIRXSXCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002899
NN=C1CC(n2c1ncc2)C	EMOLS-id_114353556	150.181	NGTVBFMNLQHSBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002900
CC1=Cc2c(C1=O)scc2	SCHEMBL4210045,PC-id_68956852	150.198	AWTHBGWHIMBWRL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002901
C#Cc1occ2c1CCS2	PC-id_143282725	150.198	MFPVBMNPGHCXLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002902
s1c2c(CC(=C)C2=O)cc1	PC-id_10855637	150.198	WOSZGZCSMHNXQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002903
s1c2CC(=C)C(=O)c2cc1	PC-id_20739758	150.198	ZZDVWHNOSMELEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002904
s1c2c(CC(=O)C2=C)cc1	PC-id_23530348	150.198	KWVAUHPXGLRUCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002905
c12CNCc1scc2C#N	MCULE-1237569241,EMOLS-id_331063339	150.201	OCGGOHMKQXBMSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002906
C1Cc2c(C1C#N)scn2	PC-id_90303242,SCHEMBL15903285	150.201	HDIKLSNWVKUMEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002907
N#Cc1ccn2c1CSC2	PC-id_139636586	150.201	JUPDWULETZFJSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002908
N#Cc1scc2c1CNC2	SCHEMBL9241403,PC-id_15284967	150.201	BCDSSFGHKUVORJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002909
CC1Cc2c(C1)c(oc2C)C	SCHEMBL13291943,PC-id_58834634	150.218	JFOIRUZCHVHSCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002910
c12C(C)CCc1n(nc2)CC	MCULE-1374972505,EMOLS-id_331019492	150.221	QWIIZSBSUSNMMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002911
c12C(C)CCc1nn(CC)c2	MCULE-8440913169,EMOLS-id_331002535	150.221	CVOVEKSHUNIFJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002912
c12cccn1CCC2CNC	MCULE-7762383644,EMOLS-id_70105281,PC-id_121207328	150.221	DPZRGNLLCPZSHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002913
c1(CN)c(C)cc2CCCn12	MCULE-9795594312,PC-id_96733728	150.221	OAFFZFQLYIUZFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002914
CC1c2ccnn2CC1(C)C	PC-id_102105727	150.221	GCDACUSTSRHXDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002915
CC1c2[nH]ccc2C(N1C)C	SCHEMBL16984065,PC-id_118287760	150.221	AIRHDMKGJVZEJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002916
CC1Cc2c(C1CN)c[nH]c2	PC-id_112714124	150.221	WPIWKEHHKFTCIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002917
CC1Cc2c(C1)c(n(n2)C)C	PC-id_143099904	150.221	SDAZPKRAFYMKDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002918
Cc1cc2n(n1)[C@H](C[C@H]2C)C	SCHEMBL19250907	150.221	JSKRIDLUKGPDBI-SVRRBLITSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002919
CC1CCc2c1nn(c2C)C	PC-id_143099881	150.221	OPHYONMGGKULBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002920
Cc1cc(CN)c2CCCn12	PC-id_100010800,EMOLS-id_50383218,ZINC22_218297521,MCULE-6014161238	150.221	READXIFUSAODGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002921
Cc1nn2c(c1)C(CC2)(C)C	PC-id_117865530,SCHEMBL16455144	150.221	CIDHXSYPRVMRBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002922
CC(C1CCc2c1nc[nH]2)C	PC-id_59291692,SCHEMBL10297542	150.221	UZOPBMONORWINS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002923
CC(C1CCc2n1ncc2)C	PC-id_89419766,SCHEMBL14733933	150.221	KCJDMTBWIDJEIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002924
CCC1CCn2c1cc(n2)C	SCHEMBL16455143,PC-id_117865529	150.221	RMOAJJJILRKTEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002925
C/C=C
/C=C[n+]2c1csc2	PC-id_67281477,SCHEMBL2115395	150.221	DKVCBKZFDGUZAK-UQCOIBPSSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002926
CC=C1C=C[n+]2c1csc2	PC-id_67281478,SCHEMBL2115396	150.221	DKVCBKZFDGUZAK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-002927
CC(C1CCn2c1ncc2)C	PC-id_140943310	150.221	CKJYIJRNQFNBDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002928
CCC1C(Cn2c1ncc2)C	PC-id_90292662	150.221	WOUAUIXWUDGHGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002929
CC(c1cn2c(n1)CCC2)C	PC-id_58893155,SCHEMBL14490303	150.221	HCBLMTSPRIJRDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002930
CC(c1cnc2n1CCC2)C	PC-id_141683741	150.221	IKDLTVSLMUUAFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002931
CC(c1cnn2c1CCC2)C	SCHEMBL14701579,PC-id_89408629	150.221	KNPNVHYQWQGECF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002932
CC(c1ncc2n1CCC2)C	SCHEMBL11914618,PC-id_58784088	150.221	ZVQVDICFNDFIBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002933
CCc1n(C)cc2c1CNC2	PC-id_98012811	150.221	FRGABOJGWXFQSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002934
CC(c1[nH]c2c(n1)CCC2)C	SCHEMBL2706590,PC-id_59610291	150.221	UMGGYJJANVVZGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002935
CC(c1[nH]nc2c1CCC2)C	PC-id_15770085,SCHEMBL11914621,SCHEMBL17051110	150.221	DYFLISXMSYEFEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002936
CC(c1nn2c(c1)CCC2)C	PC-id_118505179,SCHEMBL17249513	150.221	RKQRFERTICMFHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002937
CCc1nn2c(c1C)CCC2	PC-id_142138628	150.221	JFGNXWCVTFFOHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002938
CCc1nn(c2c1CCC2)C	PC-id_89424921,SCHEMBL14751267	150.221	WVVHYMGJDCZTSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002939
CCCc1c2CCCn2cn1	PC-id_88996387,SCHEMBL12989463	150.221	SZBUHKFPWDGAFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002940
CC(C)C1Cc2nccn2C1	PC-id_89432900	150.221	IUOCLXGCCVTBEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002941
CC([C@H]1CCn2c1ncc2)C	PC-id_140943390	150.221	CKJYIJRNQFNBDI-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002942
CC([C@@H]1CCn2c1ncc2)C	PC-id_140943443	150.221	CKJYIJRNQFNBDI-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002943
CC[C@@H]1[C@H](C)Cn2c1ncc2	SCHEMBL15889956	150.221	WOUAUIXWUDGHGR-HTQZYQBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002944
CC([C@H]1Cn2c(C1)ncc2)C	SCHEMBL14769612	150.221	IUOCLXGCCVTBEZ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002945
CCCN1CCc2c1c[nH]c2	PC-id_142439513	150.221	ROZBOLMDHCZSEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002946
C[C@@H]1Cn2c(C1)nc(c2C)C	PC-id_93500096	150.221	CRDPWFRMOINGMM-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-002947
C[C@H]1Cn2c(C1)nc(c2C)C	PC-id_93500097	150.221	CRDPWFRMOINGMM-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002948
CC(N1Cc2c(C1)cc[nH]2)C	SCHEMBL19163979	150.221	ZFJAYHWUXNOUDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002949
CC(N1Cc2c(C1)c[nH]c2)C	SCHEMBL19164217	150.221	NJKDQNLYLRWKJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002950
CC(N1Cn2c(C1)ccc2)C	SCHEMBL19164276	150.221	BVLUASXOTAIHBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002951
CC(n1nc2c(c1)CCC2)C	SCHEMBL19256651,PC-id_59050153	150.221	IDKDZXFYHLYEMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002952
CCn1nc2c(c1C)CCC2	SCHEMBL19481466	150.221	IRFJFRVNCXDCLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002953
CCNC1CCc2c[nH]cc12	MCULE-4811282073,EMOLS-id_207614794	150.221	QVODTRFUJWEHSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002954
Cn1cc2c(c1)CC(C2N)C	PC-id_112714127	150.221	MYILIPMOEJONAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002955
Cn1cc2c(n1)C(CC2)(C)C	PC-id_68169386,SCHEMBL11927685	150.221	BATNTJWIUGIBPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002956
Cn1ncc2c1C(C)(C)CC2	SCHEMBL11927684,PC-id_68169385	150.221	CVYIOEHSIQMVLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002957
CNC1C(C)Cc2c1c[nH]c2	PC-id_112714125	150.221	UIBMAPOVZWCPMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002958
CNCc1ccc2n1CCC2	PC-id_96733701	150.221	ZQPYFLRBATYZBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002959
CNCc1cn2c(c1)CCC2	PC-id_96733697	150.221	WDGUKNGUDOZTNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002960
CNCc1c[nH]c2c1CCC2	PC-id_96733704	150.221	XSDLOYXYLZJDLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002961
n12cccc1C(CC2CC)N	MCULE-6634544642,PC-id_83635367	150.221	FQIIEZYAWAZLFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002962
n12CCCc1ccc2CCN	PC-id_82417435	150.221	UHTZQMOUNXVYBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002963
n12c(CCC1)cc(c2)CCN	PC-id_82594761	150.221	DDDCYQUMLFZRKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002964
n12c(CCC1)cc(c2)C(N)C	PC-id_82594760	150.221	LTRJXNASGRUOFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002965
n12CCCc1ccc2C(N)C	PC-id_82594777	150.221	PTNRWNSBIQWVKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002966
n12CCCc1cc(CN)c2C	MCULE-7223952864,PC-id_96733696	150.221	YCBCQCHVCMENKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002967
n12CC(Cc1nc(c2C)C)C	PC-id_45088261	150.221	CRDPWFRMOINGMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002968
n1(c2c(CCC2)c(c1)CN)C	PC-id_82594762	150.221	YBDPTWIBDHHMNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002969
n1(c2c(CNC2)cc1CC)C	PC-id_83479518	150.221	XTHCRZWYOAQXKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002970
n1(cc2C(CCc2c1)CN)C	PC-id_83905032	150.221	VHQLALYJKSRGJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002971
n1(cc2C(NC)CCc2c1)C	PC-id_83905033	150.221	ORSPGZGAYSAOBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002972
NC1c2c[nH]cc2CC1(C)C	PC-id_112714126	150.221	DBVUBCHEHPAXIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002973
N(C1(CCc2[nH]ccc12)C)C	PC-id_82594755	150.221	URKVYYXPPUUNEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002974
NCc1cc(c2n1CCC2)C	PC-id_96733700	150.221	DICZFZVCMBSPJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002975
[nH]1c2c(CCC2)cc1CCN	PC-id_82417409	150.221	IXSGXAPIPVLZGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002976
[nH]1c2c(CCC2)c(c1C)CN	PC-id_82594781	150.221	FXRUPIOCOHWHIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002977
[nH]1c2c(CCC2)c(CCN)c1	PC-id_82594763	150.221	APKQTJPNZGVTDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002978
[nH]1c2c(C(CC2)CCN)cc1	PC-id_82417410	150.221	QTMRKGCMRNESDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002979
[nH]1c2CCCc2nc1CCC	PC-id_59395087	150.221	DCEWPXZQBDXTRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002980
[nH]1c2CC(C(C)C)Cc2nc1	PC-id_59096628	150.221	XDHNNCKHJNWELM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-002981
[nH]1c2c(CNC2)cc1C(C)C	PC-id_82417418	150.221	TZXGRSFGHWVKGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002982
[nH]1cc2C(CCc2c1)CCN	PC-id_83905029	150.221	VVULHMUZXGWTEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002983
[nH]1cc2C(CCc2c1)C(N)C	PC-id_83905030	150.221	PLRYCUKLEINXEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002984
[nH]1cc2C(CCc2c1)CNC	PC-id_83905031	150.221	VYZLPFFRWBTSFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002985
CC1=Cc2c(C1C)ccs2	SCHEMBL818021,PC-id_12307588	150.241	GXSVYOSCZBRSHG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002986
CC1=Cc2c(C1)cc(s2)C	PC-id_17936844,SCHEMBL2756715	150.241	WXHJWWZEDSDPPC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002987
CC1=Cc2c(C1)scc2C	SCHEMBL4009115,PC-id_18008532	150.241	KVVZNBYTSMKJGV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002988
CC1=Cc2cc(C)sc2C1	SCHEMBL2917929,ZINC22_141265878,PC-id_21880929	150.241	ZCSGLDVLZVCESG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002989
CC1(C=c2ccsc2=C1)C	PC-id_91805516	150.241	CXMPZXLBFMUQAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002990
CC1=CCc2c1c(C)cs2	SCHEMBL4010090,PC-id_18008531	150.241	DYCGNGCQGAPMSI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002991
CC1=C(C)c2c(C1)scc2	SCHEMBL817822,PC-id_66809306	150.241	QPACHBAKERRMFA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002992
CC1=CCc2csc(c12)C	PC-id_91443715	150.241	PBHUDLKRBUUZAL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002993
C=c1c(=C)sc2c1CCC2	PC-id_90902924	150.241	OVQBCNPTEYKISJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002994
Cc1sc(c2c1C=CC2)C	SCHEMBL16658996,PC-id_23270736	150.241	FNMGTRMCMPVSDA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002995
CCc1c2C=CCc2cs1	PC-id_91117498	150.241	GXKODTORUZVURL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002996
C=Cc1cc2CCCc2s1	EMOLS-id_313791182,MCULE-2388966319	150.241	UCWZXKHKVGYDIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-002997
s1c2C(C(=Cc2cc1)C)C	PC-id_12307587	150.241	CZRSYKZQUXWXLY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002998
s1c2c(CC(=C2C)C)cc1	PC-id_86208404	150.241	NXSQNQIWVMTEFR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-002999
C1C2=CSC=C2C(=N1)C=O	PC-id_153789686	151.009	ASCPJLJQVYIRBL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003000
C1=CSC2=C1C(=CC2=O)N	PC-id_153785735	151.009	CNUJRBVIKQCKQU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003001
CBc1sc2c(n1)CCC2	SCHEMBL12461463	151.037	XXCYXEISRYSUOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003002
C1C2=C(C=N1)N(N=C2)C(=O)O	PC-id_152404584	151.038	XKCXJDFWIKGKPT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003003
C1C=NC2=NC=C(N21)C(=O)O	PC-id_154049146	151.038	SESAOWVBVLZJJM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003004
C1C2=C(C=C1CN)SC=C2	PC-id_160287808	151.046	SHYPXQBHWCVYEB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003005
CC1=CSC2=C1CN=C2C	PC-id_161201945	151.046	QKAQDOITRHGWGW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003006
C1C(=NN2C1=NN=C2)C(=O)N	PC-id_154297638	151.049	GAPBOGQBVSEGRK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003007
C1C2=C(CN1)N(C=C2)C(=O)[O-]	PC-id_161716627	151.051	XIADBZMSMPMPSR-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-003008
C1C2=CN(C=C2CN1)C(=O)[O-]	PC-id_160072276	151.051	OQVYBEVLOFWKKL-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-003009
C1CC2=C(C=CN2C1)OC=O	PC-id_153293041	151.063	BFFRKNDPYJMQSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003010
C1C(CN2C1=CC=C2)C(=O)O	PC-id_151475357	151.063	PLIDNYDMNZZEPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003011
CC1(C2=C(NC1=O)OC=C2)C	PC-id_154558696	151.063	SPDRCDDGWCSVEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003012
CO/N=C/1CCC2=COC=C21	PC-id_149597069	151.063	ZYZTWWQUORHCBE-CMDGGOBGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003013
C1C(CC2=C1C=NN2)C(=O)N	PC-id_153445859	151.075	LDULPCOFPICZKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003014
CC1(C2=C(NC1=O)N=CN2)C	PC-id_154558685	151.075	BDEDPOLWMVWPSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003015
CCN1CC2=C(C1=O)NN=C2	PC-id_154637421	151.075	KMKRIHVTFVNJCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003016
CCN1C=C2CNC(=O)C2=N1	PC-id_153942476	151.075	UZDPCTAOAHKVEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003017
CC1(CCC2=C1C=CO2)CN	PC-id_155188102	151.1	AWTMQUFGCAQONV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003018
CC1=CN2CC(CC2=C1)OC	PC-id_153280006	151.1	FAPKKSXXYCVACC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003019
O=C1n2nc(nc2N=C1[O-])C	PC-id_51427105	151.103	WKNIIORWUKFNPL-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-003020
CCC1C2=C(CN1)N(N=C2)C	PC-id_154028607	151.111	BRLWWUTVGWUPJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003021
CCC1=NN=C2N1CC(C2)C	PC-id_155157957	151.111	ZAYACDRXFGXMOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003022
CCCC1CN2C=NC=C2N1	PC-id_161059516	151.111	UDFFIPQAMDIMPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003023
CC(C)n1c2c(CCC2)nn1	PC-id_163596875	151.111	SZMLWIVDWXPVLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003024
o1c2c(CNC2=O)cc1C=O	PC-id_82417407	151.12	RGJYYHOCWKRWSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003025
o1c(c2c(CNC2=O)c1)C=O	PC-id_82594785	151.12	TUYCVFUZJOEAKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003026
o1c(c2CNC(=O)c2c1)C=O	PC-id_82594784	151.12	ZOBBWFGIQCMLSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003027
O1C(=O)c2c(cn(c2)C)C1=O	SCHEMBL4873990,PC-id_12958485	151.12	FKADQUHVEIFJSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003028
O1C(=O)c2n(ccc2C1=O)C	SCHEMBL7853672,PC-id_45082011	151.12	SFORCMGIMQSRNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003029
Cc1c2c(n[nH]1)C(=O)NC2=O	SCHEMBL20272440,PC-id_135126972	151.123	LJNJKWXUTISNQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003030
Cn1cc2c(n1)C(=O)NC2=O	PC-id_121605755	151.123	ZSNIJGYQYRDQRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003031
O1CCn2c1ncc2N=C=O	PC-id_83914054	151.123	CNKDYVKLKRYDQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003032
O1CCn2c1nc(N=C=O)c2	PC-id_83914056	151.123	CSOVRIQQTLUHRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003033
O1CCn2nc(N=C=O)cc12	PC-id_83914055	151.123	CUHLZTGEHFAVQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003034
O=C1NC(=O)c2ncn(c12)C	PC-id_85616485	151.123	JAAMATYJLBIHDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003035
OC(=O)C1C=Nc2n1ccn2	PC-id_141281874	151.123	WAPIKAYWQRNIBT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003036
OC(=O)c1nn2c(c1)N=CC2	SCHEMBL2267929,PC-id_67341267	151.123	WDXPGJFWFMQKGS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003037
OC(=O)C1=Nn2ccnc2C1	EMOLS-id_330979387,MCULE-6051656970	151.123	BEVMXICHUSDZOG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003038
OC(=O)c1n[nH]c2c1C=NC2	SCHEMBL16534182,PC-id_117925282	151.123	DZGCBSUEDODXNK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003039
OC(=O)n1cc2c(n1)C=NC2	SCHEMBL19305418	151.123	QWZMSNKFIOTAPR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003040
c12NONc1[nH]c(CC#N)n2	PC-id_43839772,ZINC22_40174035,EMOLS-id_31521095,MCULE-6017525550	151.126	ZJMFELMFESGKMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003041
O=C1Nn2nc(nc2C1=N)C	PC-id_60000644	151.126	IRARLIGMIXKSNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003042
O=NNC1=Nc2n(C1)ccn2	SCHEMBL12699620,PC-id_60168284	151.126	GPGNZUNQBHWLOY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003043
FC1Cc2c([nH]nc2C#N)C1	PC-id_83854574	151.141	DBBFQCDJFGHFCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003044
C1Cc2cc(nn2C1)C(=O)[O-]	PC-id_86306992	151.143	CSOYACNIOQHFQZ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003045
[O-]C(=O)c1n2CCCc2nc1	PC-id_26967339	151.143	GDAOCGTXUVDBOC-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003046
[O-]C(=O)c1n[nH]c2CCCc12	PC-id_4652827	151.143	FCYBBDFUBSEGMX-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003047
c12cccn1CCC2C(=O)O	SCHEMBL7875841,PC-id_12795105,EMOLS-id_70105269,MCULE-4281639371	151.163	MAPSJTFQCGOIJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003048
C1Cc2c(C1)[nH]c(c2O)C=O	PC-id_136631590,SCHEMBL13475311	151.163	QDNQQYJEXQTHNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003049
C1C(=O)c2n(ccc2CO)C1	EMOLS-id_337880727,CNP0264597,PC-id_176464,UNPD30369,MCULE-9029593545	151.163	ZGJHFPBCIVRXAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003050
c1(C(=O)O)ccn2CCCc12	PC-id_14038264,MCULE-7049690283,EMOLS-id_50383236,ZINC22_39066102,SCHEMBL15152236	151.163	CYYLHKZGLFLYPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003051
CC1Cc2c(C1=O)c(no2)C	PC-id_112714132	151.163	FMGCQGNAOGBXLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003052
Cc1coc2c1NC(C2)C=O	SCHEMBL12906812,PC-id_88977614	151.163	KFRSRYLLJDELGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003053
CC=C1Oc2c(O1)cn(c2)C	PC-id_141071737	151.163	UCJAFJYYUPSCKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003054
CCC=C1Oc2c(O1)c[nH]c2	PC-id_141071733	151.163	WIOYGUNLSDHLMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003055
CCn1cc2c(c1)C(=O)OC2	PC-id_102236447	151.163	RRYKZEBLMQWDGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003056
CC(=O)c1cc2c(o1)CCN2	PC-id_96636060	151.163	FNWNHWMJVXSMDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003057
CC(=O)c1c[nH]c2c1COC2	PC-id_90162731,SCHEMBL15724353	151.163	OXIBAZNGGRAFMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003058
CC(=O)C1Nc2c(C1)occ2	PC-id_58134114,SCHEMBL12863935	151.163	SOFJEEPBMFQOEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003059
Cn1c(c2CC=Cc2c1O)O	PC-id_91438460	151.163	JRGWSSZBILDOBI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003060
CON=C1CCc2c1coc2	SCHEMBL17190982,PC-id_118459375	151.163	ZYZTWWQUORHCBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003061
NC(=O)c1occ2c1CCC2	EMOLS-id_96295653	151.163	QYBWUTWRWVUFMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003062
o1c2C(CC(=O)c2cc1)CN	PC-id_84049331	151.163	BVYCJDLVZWGUIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003063
o1c2c(CN(C2=O)C)c(c1)C	PC-id_59073862	151.163	HAFVVSJBRDLGBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003064
o1c2CN(Cc2cc1C=O)C	PC-id_82417374	151.163	LXVINTWEOVFXMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003065
O1c2n(CC1)c(cc2)C(=O)C	PC-id_45085826	151.163	WCVZQWIUSUQIQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003066
o1c(c2c(CN(C2=O)C)c1)C	PC-id_11819217	151.163	LFEIBMLWAHGXIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003067
o1c(c2CN(Cc2c1)C)C=O	PC-id_82417375	151.163	PWZRIUZGXIGSOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003068
O1C(n2c(C1=O)ccc2)(C)C	PC-id_11228895	151.163	SQOBZZMWNQYYOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003069
o1nc2CCCc2c1C(=O)C	PC-id_83858705	151.163	KJZUZKIFIPGONL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003070
o1nc(c2c1CCC2=O)CC	PC-id_83861262	151.163	RNOSXZLPMAOKNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003071
OC1c2c(C=O)ccn2CC1	SCHEMBL1300849,PC-id_161805,CNP0257583,MCULE-5787971645	151.163	QJXKHTIRIREIAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003072
O=C1c2cnoc2CC1(C)C	PC-id_112714129	151.163	PFGLPWZBYAZJOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003073
Oc1c2n(CC=C2CO)cc1	PC-id_10034793	151.163	VNQWRDAWHCRLIS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003074
O(C1c2n(C(=O)C1)ccc2)C	PC-id_10606918	151.163	JRPXBCHGHIATNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003075
Oc1[nH]c(O)c2c1CC(=C)C2	PC-id_54427551	151.163	WFENOJGGJSNMBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003076
O=Cc1c(C)cn2c1OCC2	PC-id_96636070	151.163	HPJSNKQHEYKOGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003077
O=Cc1ccn2c1[C@@H](O)CC2	PC-id_206664,UNPD171188	151.163	QJXKHTIRIREIAG-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003078
O=Cc1ccn2c1[C@H](O)CC2	UNPD101095,PC-id_14164474	151.163	QJXKHTIRIREIAG-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003079
O=Cc1n(C)cc2c1OCC2	PC-id_96220511	151.163	HWSXONRNAKWARC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003080
O[C@H]1CC(=O)n2c1c(C)cc2	PC-id_102161873	151.163	CKUNAIQFRBJLNF-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-003081
OC(=O)c1c2c(CCC2)c[nH]1	ZINC22_45792879,EMOLS-id_81814844,MCULE-4305402953,PC-id_45082016	151.163	ORZPSLMKWIIQSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003082
OC(=O)c1c2CCCc2[nH]c1	PC-id_82417373	151.163	MXOSIEGCMKWHEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003083
OC(=O)c1cc2CCCc2[nH]1	MCULE-7701235150,ZINC22_84248347,PC-id_24860556,SCHEMBL1004852,EMOLS-id_45958104	151.163	BSRVSYHHHOIGSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003084
OC(=O)c1cc2CCCn2c1	PC-id_82594794,EMOLS-id_320346558,ZINC22_82840665,MCULE-3593192791	151.163	KDBCAWAGTHKQEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003085
OC(=O)C1Cc2[nH]ccc2C1	PC-id_84013489	151.163	BUZLSOMMLFDNIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003086
OC(=O)C1CCc2c1[nH]cc2	PC-id_83669298	151.163	UTAODLYLJXVTIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003087
OC(=O)C1CCc2c[nH]cc12	PC-id_83905034,EMOLS-id_323995041	151.163	MEPPXUIRDYJXST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003088
OC(=O)c1ccc2n1CCC2	PC-id_82417378,SCHEMBL21296691	151.163	CCRSWJWPFIBLAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003089
OC(=O)C1CCc2n1ccc2	SCHEMBL1083195,PC-id_66900531	151.163	ZLWZRCYUQNFODJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003090
OC(=O)C1CCc2[nH]ccc12	PC-id_84013488	151.163	PYKPDKFNNRKUEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003091
OC(=O)[C@@H]1CCn2c1ccc2	PC-id_93497178	151.163	MAPSJTFQCGOIJY-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003092
OC(=O)[C@H]1CCn2c1ccc2	SCHEMBL17361251,PC-id_93497177	151.163	MAPSJTFQCGOIJY-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-003093
c12CCC(C(=O)N)n1ccn2	EMOLS-id_295414346,MCULE-7166602149	151.166	HKJJKOBTGXGQAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003094
c12N(C)CCn1ncc2C=O	EMOLS-id_317868272,MCULE-4585895452	151.166	YWMYTZJCQSAXNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003095
c12N(C)CCn1nc(C=O)c2	PC-id_96220517,EMOLS-id_317866993,MCULE-3406688169	151.166	RBQJQBXIPNTOLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003096
C1Cc2cncn2C1C(=O)N	SCHEMBL13834679,PC-id_89183436	151.166	HYCKEOZZTUUMJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003097
c1(C(=O)N)c2CCCc2[nH]n1	SCHEMBL5083071,PC-id_45121258,EMOLS-id_43298788,ZINC22_39133756,EMOLS-id_105326224,MCULE-5426674616	151.166	RUYWILNRQBUQRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003098
CC1c2cn(nc2C(=O)N1)C	PC-id_134267219,SCHEMBL19880472	151.166	CABVVIQLWWXPTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003099
Cc1cc2n(n1)CC(C2=O)N	PC-id_112489902	151.166	WYBSMXUEQWYEJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003100
Cc1cc2n(n1)C(=O)[C@@H](C2)N	PC-id_93512582	151.166	PKXIEUQWRPGJMY-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003101
Cc1cc2n(n1)C(=O)[C@H](C2)N	PC-id_93512583	151.166	PKXIEUQWRPGJMY-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-003102
CC1CC(=NO)c2nccn12	PC-id_137216481,EMOLS-id_114354732	151.166	NINUQMCAWBJSHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003103
CC1C(=O)Nc2cc(nn12)C	PC-id_136469027	151.166	BNOGRAKMSBYTTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003104
CC1N(C)c2c(C1=O)[nH]cn2	PC-id_69042659,SCHEMBL4434457	151.166	YWCMNBKBCJFMBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003105
Cc1ncc2n1C(=O)N(C2)C	PC-id_90082312,SCHEMBL15621615	151.166	YMNAWUBFRSFDMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003106
C[C@@H]1NC(=O)c2c1n[nH]c2C	PC-id_93512615	151.166	BUBOWKKBZFMVAS-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003107
C[C@H]1NC(=O)c2c1n[nH]c2C	PC-id_93512616	151.166	BUBOWKKBZFMVAS-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003108
CCOc1cc2n(n1)CC=N2	PC-id_67340563,SCHEMBL2266007	151.166	MRIGWKZLTVVWFZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003109
CC(=O)C1CCc2n1ncn2	SCHEMBL11983381,PC-id_57907574	151.166	FTYBKHHCEXUWEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003110
CC(=O)c1nn2c(n1)CCC2	SCHEMBL20645808,PC-id_82594827	151.166	MYZZSUDACKHTEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003111
CC(=O)N1Cc2c(C1)c[nH]n2	MCULE-3838883902,PC-id_89583842,EMOLS-id_97189883,SCHEMBL14970393	151.166	YUXYHTXQRJKUDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003112
CC(=O)N1CCn2c1ccn2	PC-id_301210,LI_160589,CoCoCo_5519910,NSC177512	151.166	KEOYUULNLXKYFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003113
CN1Cc2cn(nc2C1=O)C	PC-id_91528251	151.166	QHGHKNCEKYDHEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003114
NC(=O)c1cc2CCCn2n1	PC-id_89816387,MCULE-8691793366,EMOLS-id_106059446,SCHEMBL15273687	151.166	LDYLUOIANHBKAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003115
NC(=O)C1CCc2c1cn[nH]2	PC-id_141638510	151.166	BFBKQFGPQHRNTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003116
NC(=O)C1CCn2c1cnc2	PC-id_141225570	151.166	UKPMYDLVEAVYIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003117
NC(=O)C1CCn2ccnc12	PC-id_139420655,EMOLS-id_178073043,SCHEMBL21279979,MCULE-3398165873	151.166	XLVGANGBNJVMEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003118
NC(=O)c1cnn2CCCc12	PC-id_122129705,EMOLS-id_106064207,MCULE-5540578468	151.166	QRBMSNBLSUWEIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003119
NC(=O)[C@H]1CCc2nccn12	ZINC22_953071248	151.166	HKJJKOBTGXGQAY-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003120
NC(=O)[C@@H]1CCc2nccn12	ZINC22_953071249,EMOLS-id_331064494	151.166	HKJJKOBTGXGQAY-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003121
NC(=O)N1Cc2c(C1)c[nH]c2	SCHEMBL7095794,PC-id_69987251	151.166	OXUVUPVFXIBIJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003122
NC(=O)n1ccc2c1CNC2	PC-id_144847957	151.166	AIBGFYLJGGNAMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003123
O=C1c2c([nH]nc2CN)CC1	PC-id_83863448	151.166	PFXGEZRDBJBMAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003124
O=C1c2n(nc(c2N)C)CC1	PC-id_82594808	151.166	QUZRZOFQCAWKKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003125
O=C1Cn2c(N1C)ncc2C	SCHEMBL12616448,PC-id_68328850	151.166	OURDHMMQDQDIRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003126
O=C1C(N)Cc2[nH]c(nc12)C	PC-id_82594838	151.166	RYJCLOOGDCWTMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003127
O=C1n2nc(cc2CC1N)C	PC-id_45121267	151.166	PKXIEUQWRPGJMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003128
O=C1n2nc(nc2CC1C)C	PC-id_20719173	151.166	BIVMYRLSYSWFES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003129
O=C1Nc2c(C1C)n(cn2)C	PC-id_112489903	151.166	YQCKPOJAPKMYHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003130
O=C1Nc2c(n(nc2C)C)C1	PC-id_83479539	151.166	SITSPVVCFFGQLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003131
O=C1Nc2nc(n(c2C1)C)C	PC-id_82417365	151.166	CGYUTRFEGCXMCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003132
O=C1NCc2c1c(C)nn2C	SCHEMBL20417068,PC-id_12765494	151.166	QTHZYXRGSRDYGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003133
O=C1NC(c2c1[nH]nc2)(C)C	PC-id_141428184	151.166	BNPCEYNWPMYUPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003134
O=C1NCc2c1nn(c2C)C	PC-id_142488643	151.166	PPFVKPUFEJPHOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003135
O=C1NCc2nc(n(c12)C)C	PC-id_82417341	151.166	UMMSACWASCRYDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003136
O=C1NC(c2n[nH]c(c12)C)C	PC-id_13035778	151.166	BUBOWKKBZFMVAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003137
O=c1[nH][nH]c2C(N=C(c12)C)C	PC-id_76851350	151.166	IRUTWHJCTCERRM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003138
O=Cc1cn2c(n1)N(CC2)C	PC-id_96636055	151.166	WMFLBOQOQJQUCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003139
O=C(c1n2CCCc2nn1)C	PC-id_57986054	151.166	RWXKROHWUOIMHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003140
O=Cc1nc2c(n1C)CNC2	PC-id_144979220	151.166	OHRPLBZJVZDTCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003141
O=Cc1nc(c2n1CCN2)C	PC-id_96636054	151.166	KWUDKUZENRGGNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003142
O=Cc1n(C)nc2c1CNC2	PC-id_105429556	151.166	MOSIVFGFLVSVNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003143
O=Cc1nn(c2c1CNC2)C	PC-id_105429555	151.166	SSJBZAWVWPGWQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003144
O=Cc1n[nH]c2CN(Cc12)C	PC-id_83862944	151.166	IXMITDJOAHRLEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003145
O=CN1CCn2c1c(C)cn2	SCHEMBL9020251,PC-id_15077736	151.166	XYNHWWMTNSUYBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003146
O=C(N1CCn2c1ncc2)C	PC-id_12438604	151.166	KYPJXZSIGQQYSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003147
CC1=Nc2n(C1)nc(c2N)N	SCHEMBL6282269,PC-id_69731856	151.169	BZDCABSILPXZEV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003148
Cc1nn2c(c1N)N=NC2C	SCHEMBL2269071,PC-id_67341675	151.169	LRDBAASIFYFOEV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003149
CCC1N=Nc2n1ncc2N	SCHEMBL6284468,PC-id_69732394	151.169	LNZORZDLWWFTBL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003150
n12CCCc1nnc2C=NN	MCULE-3117252583	151.169	IVBZEGRUWPNOEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003151
n12CCCc1nnc2C(=N)N	PC-id_83677876	151.169	OJMDVGZTNHRMIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003152
n12nc(nc1CCC2)C(=N)N	PC-id_83677464	151.169	KYKQWFNCRQSORW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003153
NCCC1N=Nc2n1ncc2	SCHEMBL19547310	151.169	VXYQRLFUTIXODG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003154
N/N=C/c1nnc2CCCn12	EMOLS-id_45907636,ZINC22_72206970,PC-id_102537457	151.169	IVBZEGRUWPNOEP-XBXARRHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003155
c12COCc1scc2C#N	EMOLS-id_331062061,MCULE-6913340095	151.186	APSWHVZUWGOILO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003156
C=C1Nc2c(C1=O)ccs2	SCHEMBL14186799,PC-id_59727655	151.186	HNRIERQXOLBGHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003157
O=C=C1SCn2c1ccc2	PC-id_139864524	151.186	WPKKYXZJYTXHSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003158
s1c2N=C(C(=O)c2cc1)C	PC-id_16640196	151.186	OEXOQSRLXYPLGH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003159
C1C(Sc2c1cn[nH]2)C#N	PC-id_89244229,SCHEMBL14087225	151.189	JSXOTUDLNAGIKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003160
[N+]1(n2c(C=C1)ccc2N)(N)C	SCHEMBL5191329,PC-id_69348017	151.189	DUQDDKZJJPKSMH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003161
[N+]1(n2c(C=C1)c(N)cc2)(N)C	PC-id_69344390,SCHEMBL5181897	151.189	GOBSEHCPARICIA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003162
[N+]1(N)(c2n(C=C1)ccc2N)C	SCHEMBL5507324,PC-id_69468612	151.189	BPCGMZDUTCCPSK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003163
[N+]1(N)(c2n(C=C1)c(N)cc2)C	PC-id_69466582,SCHEMBL5503606	151.189	CBAGEPCBBWPBET-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003164
S1Cc2c([nH]nc2C#N)C1	PC-id_45121485	151.189	YERKYJDDTDAQDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003165
S1CCn2c1nc(c2)C#N	PC-id_82651526	151.189	GXIRVAOUXLUVGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003166
S1CCn2c1ncc2C#N	PC-id_82651528	151.189	QDJWDDPKRXRLLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003167
S1CCn2nc(cc12)C#N	PC-id_82651527	151.189	QMBIAQXAWOQWNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003168
c12CC(Cc1coc2)NCC	MCULE-5997976303,PC-id_121207478,EMOLS-id_70105779	151.206	VQARKIJAJMBDPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003169
C1Cc2c(C1)n(cc2)CCO	PC-id_134840828	151.206	XSNYPJAASPJHDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003170
CC1Cc2c(C1CN)cco2	PC-id_112714135	151.206	LGWXQONNNUJJFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003171
CC1Cc2c(C1CN)coc2	PC-id_112714134	151.206	NCZGMUWNKVZXDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003172
CC1Cc2c(C1N)cc(o2)C	PC-id_112714145	151.206	KVTSSUUMCNKYQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003173
CC1Cc2c(C1N)oc(c2)C	PC-id_112714143	151.206	RXNMSDLAJRBMLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003174
Cc1cc2c([nH]1)C(CC2)(C)O	PC-id_144129286	151.206	GPALEPQKBSIFLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003175
Cc1cn(c2c1CCC2)CO	PC-id_137399504,SCHEMBL20631139	151.206	HMZLLXNBSOLNIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003176
CC(c1noc2c1CCC2)C	SCHEMBL11914619,PC-id_58783976	151.206	OJLRRWNFWDDDIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003177
CC(c1onc2c1CCC2)C	PC-id_58783702,SCHEMBL11914620	151.206	VIKPQLCJWCMUTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003178
CC(C)c1coc2CNCc12	EMOLS-id_208098443,MCULE-2991887098	151.206	NFQPDBNBPJHSLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003179
CCCc1coc2CNCc12	EMOLS-id_208098446,MCULE-1512968852	151.206	DOZCZMUHMDNDKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003180
CC(N1Cc2c(C1)cco2)C	SCHEMBL19163829	151.206	VZLMFYBVTJHSHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003181
CC(N1Cc2c(C1)coc2)C	PC-id_57931360,SCHEMBL9963132	151.206	QIONORVTOHTDPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003182
CNC1C(C)Cc2c1cco2	PC-id_112714138	151.206	RQSDBYKGUBASLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003183
CNC1C(C)Cc2c1occ2	PC-id_112714136	151.206	SQZBXTJJTKNLDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003184
n12CCCc1cc(CCO)c2	MCULE-6400394320	151.206	ABARGRKNDORAEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003185
NC1c2ccoc2CC1(C)C	PC-id_112714141	151.206	MDRKQPDAFKNMPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003186
NC1c2cocc2CC1(C)C	PC-id_112714140	151.206	OWADFAYQUTUTSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003187
NC1c2occc2CC1(C)C	PC-id_112714139	151.206	VFWKOOJGFDAINI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003188
NCC1C(C)Cc2c1occ2	PC-id_112714133	151.206	MLEHQJIURCASFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003189
o1c2CC(Cc2cc1)CCN	PC-id_82417317	151.206	ANVHILAITSBXLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003190
o1c2c(CCC2)cc1CCN	PC-id_82594866	151.206	AZNXDNWXYAOCFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003191
o1c2c(CCC2)c(c1C)CN	PC-id_82594868	151.206	LAAMQUMSKPMLNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003192
o1c2C(CCc2cc1)CCN	PC-id_83905035	151.206	IFKDUDBTHBYXLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003193
o1c2C(CCc2cc1C)CN	PC-id_83905046	151.206	WPKACPOSYFZLMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003194
o1c2c(CCC2)cc1C(N)C	PC-id_82417318	151.206	VUQQTGCRTPRDJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003195
o1c2c(CCC2)cc1CNC	PC-id_82594859	151.206	DOCXIVUMCFISAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003196
o1c2C(CCc2cc1)C(N)C	PC-id_83905037	151.206	BPBWUVXLWFSVFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003197
o1c2C(CCc2cc1)CNC	PC-id_83905040	151.206	HBYXIRAOMVZRBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003198
o1c2c(CCC2)c(CCN)c1	PC-id_83479556	151.206	HWUHORAIHGSXAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003199
o1c2c(C(CC2)CCN)cc1	PC-id_82417316	151.206	DHORYGSRHLMUSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003200
o1c2c(C(CC2)CN)cc1C	PC-id_83905044	151.206	DXNBNNPMRYPOKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003201
o1c2c(C(CC2)C(N)C)cc1	PC-id_83905039	151.206	UGFHDPSVSMIUAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003202
o1c2c(C(CC2)CNC)cc1	PC-id_83905042	151.206	UZWXQZABNPAYMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003203
o1c2c(CNC2)cc1C(C)C	PC-id_82417322	151.206	IYRJRCNVEHRNRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003204
o1c2c(C(N)CC2)cc1CC	PC-id_83905054	151.206	ZEMLEPHMKINPQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003205
o1c2c(C(NC)CC2)cc1C	PC-id_83905051	151.206	PIKSMZCZANDCDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003206
o1c2c(C(NC)(CC2)C)cc1	PC-id_82594845	151.206	OEWUILDTXIUARW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003207
o1c2C(N)CCc2cc1CC	PC-id_83905053	151.206	CGIHJHHMQZHEKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003208
o1c2C(NC)CCc2cc1C	PC-id_83905048	151.206	CVNZXYGPERFCSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003209
o1cc2C(CCc2c1)CCN	PC-id_83905036	151.206	QKRVTMVTWNVWFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003210
o1cc2C(CCc2c1)C(N)C	PC-id_83905038	151.206	KGVGQLFECCOKNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003211
o1cc2C(CCc2c1)CNC	PC-id_83905041	151.206	INRIWIVOHMTIRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003212
o1cc2CC(C)C(NC)c2c1	MCULE-2482801102,PC-id_112714137	151.206	LXRCHKRAKBVLEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003213
OCc1c2c([nH]c1C)CCC2	PC-id_84763258	151.206	BALWLWXARXJAAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003214
OCC1C(c2n(C1)ccc2)C	PC-id_85166650	151.206	FWZJKGBGXVOIDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003215
OCCc1c2CCCc2[nH]c1	PC-id_83674265	151.206	RSSLINYNOQIBCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003216
OCCc1n2CCCc2cc1	PC-id_83674275	151.206	HZSYYMFJTIOFAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003217
OC[C@H]1[C@@H](c2n(C1)ccc2)C	PC-id_10511021	151.206	FWZJKGBGXVOIDA-YUMQZZPRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003218
c12C(C)CCc1n(nc2N)C	EMOLS-id_330968560,MCULE-7271339464	151.209	SRGBVQJPXOTDOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003219
c12C(N)CCc1[nH]nc2CC	EMOLS-id_50074204,PC-id_66489469,MCULE-5615085134	151.209	WZBBZOZJTXPKKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003220
c12C(NC)CCc1n(nc2)C	MCULE-7605893876,PC-id_83861579,EMOLS-id_46440463	151.209	TURIWXOKGPVDNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003221
c1(C(C)N)cnn2CCCc12	EMOLS-id_320438550,MCULE-4221428727	151.209	MTAHOQBDYWOAOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003222
CC1c2c(C(N1C)C)nc[nH]2	PC-id_91508195,SCHEMBL16381419	151.209	FSGYFKKUVDEWJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003223
CC1Cc2c(C1N)cn(n2)C	PC-id_112714147	151.209	QHBCWZJQSYHOCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003224
CC1Cc2c(C1N)cnn2C	PC-id_112714148	151.209	RUTDLPWRPQGOJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003225
CC1CCc2c(CN)n[nH]c12	PC-id_57365274,EMOLS-id_316043778	151.209	BOOBCNJSHLSASK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003226
CC1CCc2[nH]nc(CN)c12	MCULE-5747145290,EMOLS-id_44388602,PC-id_57365272	151.209	TUTVKVDUCUQWSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003227
CC1(C)CCn2nc(N)cc12	MCULE-8531399425,PC-id_59394160,SCHEMBL2793206,EMOLS-id_89944440	151.209	DITIDQNWGXPPRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003228
Cc1cnc2C(CN)CCn12	EMOLS-id_195324762,MCULE-9735343362	151.209	IECXPFVZMXOOBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003229
Cc1nn2c(n1)C(CC2)(C)C	PC-id_143535375	151.209	LBPSBPYCAPODIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003230
Cc1nnc2n1CCC2(C)C	SCHEMBL10281374,PC-id_59299775	151.209	METNCNHKMRDVBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003231
CC(c1ccn2c1NCC2)N	PC-id_112489900	151.209	PWVGHNIFFDAOJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003232
CC(C1CCn2c1nnc2)C	PC-id_140943439	151.209	LSSHATMPZIWSMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003233
CCC1CCn2nc(N)cc12	EMOLS-id_336481894	151.209	NTANILAUKOBTQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003234
CC(c1cn2c(n1)NCC2)C	PC-id_139422124,SCHEMBL21281604	151.209	IAZAHTQUVRCOPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003235
CC(c1cnc2n1CCC2)N	EMOLS-id_194656856	151.209	VHQNXXIAGWNDAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003236
CC(c1cnn2c1NCC2)C	EMOLS-id_97184692	151.209	SXLVDQVRAHLFKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003237
CC(c1[nH]c2c(n1)CCC2)N	EMOLS-id_313594085,PC-id_82463421	151.209	BRCNCYRAPQOQQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003238
CC(c1[nH]c2c(n1)CNC2)C	PC-id_83864755,SCHEMBL17380688	151.209	IPBYOSIZIKYIRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003239
CC(c1nn2c(n1)CCC2)C	PC-id_138504538,SCHEMBL20854955	151.209	FSEATJVHALFYKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003240
CCc1nnc2n1C(C)CC2	PC-id_139307653,SCHEMBL21152461	151.209	LJFDHSAQBVRTSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003241
CC(c1n[nH]c2c1CNC2)C	SCHEMBL17229671,PC-id_83845508	151.209	DNRVZPWRDDOUJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003242
CC(c1nnn2c1CCC2)C	SCHEMBL21152899,PC-id_139308062	151.209	NCJLVXNDPIZLMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003243
CC(C)c1nn2CCNc2c1	PC-id_136328621	151.209	YQYDEBZFCKMKCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003244
CCCc1nn2c(n1)CCC2	PC-id_138504559,SCHEMBL20854986	151.209	VXXYRDDMPQRVQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003245
CC(C)c1nnc2CCCn12	PC-id_58783717,EMOLS-id_324799754,MCULE-9589735693,SCHEMBL11914617	151.209	ZROZHORXJVGCQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003246
CCCc1nnc2CCCn12	PC-id_67565996,EMOLS-id_324799498,MCULE-2824151037,SCHEMBL8367476	151.209	PNOAFNRVSNFJSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003247
CC[C@@H]1c2c(CN1)n(nc2)C	PC-id_134360638,SCHEMBL19987631	151.209	BRLWWUTVGWUPJM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003248
CC([C@@H]1CCc2n1ncn2)C	SCHEMBL12862812,PC-id_58125122	151.209	PBVZNOSVOFPANY-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003249
CC([C@@H]1CCn2c1nnc2)C	PC-id_140943473	151.209	LSSHATMPZIWSMT-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003250
CC([C@H]1CCn2c1nnc2)C	PC-id_140943582	151.209	LSSHATMPZIWSMT-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003251
CCCN1Cc2c(C1)cn[nH]2	SCHEMBL14097919,PC-id_58797879	151.209	XJQNSJMWHNLMPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003252
CC(C)n1cc2CNCc2n1	MCULE-5655085691,PC-id_82417241,SCHEMBL18806203,EMOLS-id_324130574	151.209	QCEHIHWBODSFSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003253
CC(C)n1cnc2c1CCN2	PC-id_90395227,SCHEMBL16019016	151.209	CLAPIMQLFLJTLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003254
CCCn1ncc2c1CNC2	PC-id_140316903	151.209	ICOKUTHFSTZBOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003255
C[C@H]1CCc2[nH]nc(CN)c12	PC-id_92851436,ZINC22_28378448	151.209	TUTVKVDUCUQWSK-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003256
C[C@@H]1CCc2[nH]nc(CN)c12	ZINC22_28378441,PC-id_92851435	151.209	TUTVKVDUCUQWSK-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003257
C[C@H](N)c1n[nH]c2CCCc12	EMOLS-id_313513172,PC-id_82417254,MCULE-8749300181	151.209	BFIPWCYAFUSQCE-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003258
C[C@@H](N)c1n[nH]c2CCCc12	MCULE-6937621944,EMOLS-id_313892178	151.209	BFIPWCYAFUSQCE-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003259
CCN1Cc2c(C1)c([nH]n2)C	PC-id_118491758,SCHEMBL17232796	151.209	HQSQTVRTOCXSEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003260
CC(N1Cc2c(C1)c[nH]n2)C	PC-id_57931368,SCHEMBL7874441,SCHEMBL9963135	151.209	IVBHYZROCBCKPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003261
CCN1Cc2c(C1)cn(n2)C	SCHEMBL17485484,PC-id_118700949	151.209	XECRXYKUOXNBRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003262
CC(N1Cc2c(C1)nc[nH]2)C	SCHEMBL10361558,PC-id_58798983	151.209	WSVAGFCWGYTXAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003263
CCN1Cc2c(C1)nc([nH]2)C	SCHEMBL13563226,PC-id_89117693	151.209	CYOLVFMWNCMGMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003264
CCN1Cc2c(C1)n(nc2)C	SCHEMBL13068186,PC-id_89009622	151.209	VHDBTSNYUWFBTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003265
CC(N1CCn2c1ccn2)C	PC-id_118582056,SCHEMBL17342866	151.209	DPNBXKPHKLAFLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003266
CCN1CCn2c1cc(n2)C	PC-id_89552760,SCHEMBL14930327	151.209	NJEYGCPYSQWYIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003267
CCn1c(C)nc2c1CNC2	PC-id_118613969,SCHEMBL17380229	151.209	AJTKUHDODYIJAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003268
CC(N1Cn2c(C1)ccn2)C	SCHEMBL19163915	151.209	AJOVSHYNAIYJGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003269
CC(N1Cn2c(C1)cnc2)C	SCHEMBL19164211	151.209	OILONHUDKXQCAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003270
CC(N1Cn2c(C1)ncc2)C	SCHEMBL19164218	151.209	RWQBKRPHPLFRJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003271
CCn1nc2c(c1C)CNC2	PC-id_96635935	151.209	MPRXVBGNANLLOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003272
CCn1nc2c(c1N)CCC2	EMOLS-id_41192161,SCHEMBL17045400,ZINC22_83740175,MCULE-3773629159,PC-id_65348359	151.209	JCSTZHRHGHKPAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003273
CCn1nc(c2c1CCC2)N	PC-id_105429619	151.209	BONGXTQUPUDMFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003274
CC(N)c1cc2CCCn2n1	EMOLS-id_320438806,MCULE-3596247943,PC-id_82651538	151.209	NQHCKEPLUXQSEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003275
CCNC1CCn2c1ncc2	EMOLS-id_96772016	151.209	STGJVSBCLGKSGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003276
CCNc1[nH]nc2c1CCC2	EMOLS-id_313604334,EMOLS-id_39559860,SCHEMBL13145461,PC-id_58824815	151.209	YQVSBJASQZGSET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003277
CC(N)c1n[nH]c2CCCc12	EMOLS-id_313513428,PC-id_71433420,MCULE-6383475939	151.209	BFIPWCYAFUSQCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003278
CN1Cc2c(C1C)cnn2C	SCHEMBL8220186,PC-id_70307533	151.209	FIGXOHGFBAVNMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003279
CN1Cc2c(C1)c(nn2C)C	PC-id_118491671,SCHEMBL17232689	151.209	JULJOILKCDADNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003280
CN1Cc2c(C1)nc(n2C)C	SCHEMBL17380643,PC-id_118614374	151.209	BGNILWQBIFMYOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003281
Cn1cc2CNC(C)(C)c2n1	EMOLS-id_337772072	151.209	UEGSZWVYXKWBDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003282
CN1CN(c2c1n(C)cc2)C	PC-id_69289852,SCHEMBL5040271	151.209	OVQCVSLYYQMQDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003283
Cn1nc2CCCc2c1CN	MCULE-9273358975,EMOLS-id_70118676,PC-id_83862499	151.209	WXXQJGUWKVYEJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003284
C(n1ncc2c1CNC2)(C)C	SCHEMBL1754908,MCULE-3101725663,PC-id_59215134	151.209	ZMAVJKDPLZFXEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003285
Cn1nc(CN)c2CCCc12	PC-id_28808654,SCHEMBL8324035,EMOLS-id_324155231	151.209	XHKAMZIANVTROM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003286
CN=C1C=C[n+]2c1csc2	PC-id_67281661,SCHEMBL2115799	151.209	WKTKDXIILKJPKU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003287
C/N=C
/C=C[n+]2c1csc2	SCHEMBL2115797	151.209	WKTKDXIILKJPKU-VURMDHGXSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003288
CNC1CC(n2c1ncc2)C	EMOLS-id_96772044	151.209	YJMWSWIGIFWIOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003289
CNc1[nH]nc2c1CCC2C	PC-id_55265390,EMOLS-id_40297891,EMOLS-id_114355842	151.209	BGFDCWXJPDUATC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003290
CNCc1cn2c(n1)CCC2	PC-id_96735842	151.209	GYEYLCCHNMSTPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003291
CNCc1cnc2n1CCC2	PC-id_96635890,EMOLS-id_194690588	151.209	YCWOQJGTOWNPJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003292
CNCc1nc2CCCc2[nH]1	EMOLS-id_40130445,PC-id_63927396,MCULE-7895640153	151.209	SOURVPXHMYCBGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003293
CNCc1[nH]nc2CCCc12	SPECS-id_AN-153/MD20626,ZINC22_26545506,EMOLS-id_29703696,EMOLS-id_33372111,SCHEMBL16619895,PC-id_23005645,MCULE-6926194392	151.209	PTIKSLFKWXZDSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003294
CN[C@@H]1CCc2c1cnn2C	PC-id_97181765,ZINC22_95098087	151.209	TURIWXOKGPVDNI-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003295
CN[C@H]1CCc2c1cnn2C	PC-id_97181766,ZINC22_95098088	151.209	TURIWXOKGPVDNI-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003296
n12c(C(CC1)CCN)cnc2	PC-id_84649551	151.209	NFAQERLRVIUIGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003297
n12C(CCc1cnc2)CCN	PC-id_82417232	151.209	WXOYHKKYKGQUNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003298
n12CC(Cc1c(nc2)C)CN	PC-id_82417233	151.209	WDVQLGBOLVYGCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003299
n12C(CCc1c(nc2)C)CN	PC-id_82417234	151.209	FOPZRROYWXFRQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003300
n12c(CCC1)c(nc2)CCN	PC-id_82594926	151.209	QVEUKDCXAGKWPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003301
n12c(CCC1)c(nc2C)CN	PC-id_82594928	151.209	WRDSTEZMCDGJGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003302
n12CCCc1cnc2CCN	PC-id_82651541	151.209	ZQHRCJQGARTYGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003303
n12CCC(c1cnc2C)CN	PC-id_84649550	151.209	HIOYHPJICZBCSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003304
n12CCCc1cnc2C(N)C	PC-id_82651537	151.209	CQPODWOSTWREFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003305
n12c(CCC1)c(nc2CN)C	PC-id_82651542	151.209	TXKPLKBQRBGGRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003306
n12CCCc1cnc2CNC	PC-id_82651547	151.209	WDSIEWISRRMHBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003307
n12CCCc1ncc2CCN	EMOLS-id_265116374,PC-id_82417259	151.209	MGTGRNSHSBNXSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003308
n12CCCc1nc(C)c2CN	PC-id_112545512,MCULE-1139413230,EMOLS-id_313593248	151.209	RVNGBFXXESQDLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003309
n12CCC(N)c1nc(c2C)C	PC-id_83826361	151.209	GHLFOKLZVVIAJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003310
n12CC(N)Cc1c(nc2)CC	PC-id_82417293	151.209	NPICVKDYANFKHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003311
n12CC(N)Cc1nc(c2)CC	PC-id_82417287	151.209	HGCVVFLIKNRIJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003312
n12CC(N)Cc1nc(c2C)C	PC-id_82417288	151.209	CFDRJXDCBZSMSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003313
n12nc(c(c1CCC2)C)CN	PC-id_84107218	151.209	AXOGTAGAEOOXKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003314
n12nc(cc1CCC2)CNC	PC-id_82651548	151.209	STTVTPUNWXDNOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003315
n1(c2CCCc2nc1)CCN	PC-id_82417273	151.209	HGXOQKKGKXSFGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003316
n1(c2CCCc2nc1CN)C	PC-id_82463401	151.209	FUMPUGBVSOZBFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003317
n1(c2C(CCc2nc1)CN)C	PC-id_83872525	151.209	QEABVLIUWLIYMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003318
n1(c2CCC(c2nc1)CN)C	PC-id_83872529	151.209	ZVDNAMVAFISVOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003319
n1(c2CCC(NC)c2nc1)C	PC-id_83872530	151.209	DJWKZRORCYAMKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003320
n1(c2CC(N)Cc2nc1C)C	PC-id_82417230	151.209	XICSUFCHFOVTGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003321
n1(c2c(nc1)CNC2)C(C)C	PC-id_83864760	151.209	GZXKKGXGZOCDPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003322
n1(c2C(NC)CCc2nc1)C	PC-id_83872526	151.209	WLWCUPUFQCOJSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003323
N1(Cc2c(C1)c[nH]c2CN)C	PC-id_82417214	151.209	LKPOPLKDTUHWHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003324
N1C(c2c(n(nc2)C)C1)(C)C	PC-id_82651543	151.209	YPJRIJJFXINHCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003325
N1C(c2c(nn(c2)C)C1)(C)C	PC-id_82651544	151.209	BQLBBKUXTRQLGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003326
N1C(c2c(nn(c2)CC)C1)C	PC-id_82417242	151.209	HWMDEHCTJWCOLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003327
N1Cc2c(n(nc2CC)C)C1	PC-id_83845507	151.209	LIDIKJYZJOOWSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003328
N1Cc2c(nn(c2CC)C)C1	PC-id_83845509	151.209	RYNHMNYJRZTEJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003329
N1(Cc2[nH]c(cc2C1)CN)C	PC-id_84763272	151.209	KMUJYELLRVLPPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003330
n1cc(c2CCCn12)CCN	EMOLS-id_317878011,MCULE-7203212993	151.209	OQBCZEOEDVFDEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003331
n1c(CCN)cc2CCCn12	PC-id_82594925,EMOLS-id_317878267,MCULE-7829266981	151.209	HWNNOSDZDJSGPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003332
n1c(CCN)cn2CCCc12	EMOLS-id_300984718,CHEMBL4529857,MCULE-3208403440,PC-id_75481245,SCHEMBL18121425	151.209	SOIOWWLBWYUHLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003333
n1(nc2C(CCc2c1)CN)C	PC-id_82417275	151.209	CUMKGUCBAHGSTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003334
n1(nc2CC(Cc2c1)CN)C	PC-id_82417278	151.209	BEEHDVCECFQKBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003335
n1(nc2c(CCC2)c1NC)C	PC-id_83862495	151.209	SNDUHLMFYTZMDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003336
n1(nc2c(C(CC2)C)c1N)C	PC-id_84020846	151.209	XYCRIRXLQPINFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003337
n1(nc2c(C(CC2)CN)c1)C	PC-id_82417276	151.209	FALQZTBWUNTRES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003338
n1(nc2c(CNC2)c1)CCC	PC-id_82417240	151.209	MIDCWSSPNXDGAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003339
n1(nc2c(C(N)CC2)c1C)C	PC-id_83905063	151.209	AKPPMXMDWBUHIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003340
n1(ncc2c1C(CC2)CN)C	PC-id_83872537	151.209	AAJUAUYSPUHENK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003341
n1(ncc2c1C(NC)CC2)C	PC-id_83872538	151.209	AQUVRHVWJXJPTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003342
n1(ncc2C(CCc12)CN)C	PC-id_83861584	151.209	WQECEQPHJQPEAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003343
n1(nc(c2C(N)CCc12)C)C	PC-id_83861587	151.209	ZFSRTSMSVBLDKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003344
n1(nc(NC)c2c1CCC2)C	PC-id_83862228	151.209	SGADMTWNXHEFIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003345
n1[nH]c(c2CC(Cc12)CN)C	PC-id_82417265	151.209	MHYGOGJKGDEEMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003346
n1[nH]c(c2C(CCc12)CN)C	PC-id_83861640	151.209	VTQCFAPSTXKXLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003347
NC1c2cn[nH]c2CC1(C)C	PC-id_112714146	151.209	WYRNVRQLOSCCTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003348
N(C1CCc2c1nn(c2)C)C	PC-id_83872535	151.209	JKNMXOXTADUVLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003349
N(C1C(Cc2[nH]ncc12)C)C	PC-id_83905058	151.209	FEQAQHCUPQDBKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003350
N(C1CCc2nn(cc12)C)C	PC-id_83905059	151.209	OUFNPDQCAFDOQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003351
N(C1CCc2n[nH]c(c12)C)C	PC-id_83861636	151.209	ZMSWZARPKHXCGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003352
NC1C(Cc2n[nH]c(c12)C)C	PC-id_83905061	151.209	QBZMGTFFHPMPHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003353
Nc1nc2c([nH]1)CCC2(C)C	PC-id_79862784,EMOLS-id_42572351	151.209	YSTXPXJWZJFGIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003354
Nc1[nH]nc2c1C(C)(C)CC2	PC-id_79866487,EMOLS-id_42572757	151.209	FGLOSMDMJPNUPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003355
NCC1CC(n2c1ncc2)C	EMOLS-id_96772062	151.209	SGZSSLLFEKWCJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003356
NCc1ccn2c1N(C)CC2	PC-id_92851406	151.209	IZWIUTXGUFYKRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003357
NCc1nc2c([nH]1)C(CC2)C	EMOLS-id_96409342,PC-id_102970181	151.209	MQKPZKGARMHVGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003358
NCc1nc2n(c1C)CCC2	PC-id_96735841	151.209	QYPWIVNMDLERMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003359
NCCc1c2c(CCC2)[nH]n1	PC-id_83845502,EMOLS-id_313497271,EMOLS-id_70118722,MCULE-1575612209	151.209	DEFMNYWOTXIGOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003360
NCCc1[nH]c2c(n1)CCC2	EMOLS-id_313543410,PC-id_82417289	151.209	TXIDRWZJKTZBPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003361
[nH]1c2CCC(c2nc1)CCN	PC-id_83872528	151.209	AUXPJWBIBLQTMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003362
[nH]1c2CCC(c2nc1)CNC	PC-id_83872527	151.209	PGSUOWINMHWENV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003363
[nH]1c2c(CNC2)c(c1C)CN	PC-id_84763268	151.209	YWKZVLFGCOJRGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003364
[nH]1c2c(CNC2)cc1CCN	PC-id_84763271	151.209	HFNSDMDHPVVIAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003365
[nH]1ncc2c1C(CC2)CCN	PC-id_83872534	151.209	PIACPTSLGXRCTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003366
[nH]1ncc2c1C(CC2)CNC	PC-id_83872533	151.209	QKORLLMKOODECF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003367
[nH]1nc(c2CC(Cc12)C)CN	PC-id_57365273	151.209	RFTRLZOVFBHSFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003368
[nH]1ncc2C(CCc12)CCN	PC-id_83861633	151.209	MPCGOQRLYIFBAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003369
[nH]1ncc2C(C(Cc12)C)CN	PC-id_83905057	151.209	CEMNDIAPQBVTBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003370
[nH]1ncc2C(CCc12)CNC	PC-id_83861634	151.209	GDSKKMOQVXMZFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003371
[nH]1ncc2C(CCc12)C(N)C	PC-id_83905056	151.209	VEBPJBOLGCNQAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003372
[nH]1nc(c2CC(N)Cc12)CC	PC-id_82417266	151.209	XVRJYPRFLVUWJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003373
[nH]1nc(NC)c2C(CCc12)C	PC-id_55265290	151.209	PKISHHLBOJNFHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003374
[nH]1nc(NC)c2CC(Cc12)C	PC-id_55265291	151.209	XDVLTQFDXNLTPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003375
CC1(C)C=Nc2c1scc2	SCHEMBL15235370,PC-id_89787416	151.229	ZGSSFGNCZWSWAJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003376
CC(C1C[n+]2n(C1)ccc2)C	PC-id_89432901,SCHEMBL14769613,SCHEMBL18155182	151.229	CSDSKDAOULKUJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003377
C/C=C/1NCc2c1ccs2	SCHEMBL19276820	151.229	CTSFRDMKUGFOQN-UQCOIBPSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003378
CC(C)[n+]1c2CCCc2c[nH]1	PC-id_90395173,SCHEMBL16018957	151.229	KUTDFAVFYQWBFI-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-003379
CC(C)n1cc[n+]2c1CCC2	SCHEMBL16018955,PC-id_90395171	151.229	ZDMJGUPWHFWFMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003380
CC([n+]1c[nH]c2c1CCC2)C	PC-id_58373751,SCHEMBL12380984	151.229	CHARNMSHZJNEDX-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-003381
[n+]12c(n(CCC)cc1)CCC2	PC-id_16046414	151.229	CCWMUWYYUYHVBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003382
s1c(c2c(c1C)C=NC2)C	PC-id_10329452	151.229	DEDCHJMKNHMKMB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003383
c12CCCn1c(B(O)O)cn2	MCULE-3662834986,PC-id_71699710,EMOLS-id_48663115	151.959	BMBFFHUQGZQFKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003384
OB(O)c1cnn2CCCc12	SCHEMBL14957659,MCULE-1875459430,PC-id_72213308,EMOLS-id_76748239	151.959	JGLKLDKILZGEAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003385
C1C(C2=C(C1=O)SC=C2)[NH-]	PC-id_160891200	152.018	SOHGAVRIGXLKLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003386
C1C2=CC(=CN2CO1)C(=O)[O-]	PC-id_153964352	152.035	KPTIKCQCEQRMFL-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003387
C1C2=CN(C=C2CO1)C(=O)[O-]	PC-id_153865484	152.035	VATOITKKUCUSCI-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-003388
C1C2=C(CN1C(=O)[O-])N=CN2	PC-id_163755571	152.047	LTTLHSRUSIHIOE-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003389
C1C2=C(CN1C(=O)[O-])NN=C2	PC-id_149254079	152.047	YTHFZYIBZJVELC-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003390
C1C2=C(CN1)NN=C2C(=O)[O-]	PC-id_153795583	152.047	IMQYXAOWQAJSAK-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003391
C1C2=C(CN1)N(N=C2)C(=O)[O-]	PC-id_154070413	152.047	XXKOVLLHSXYGEJ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003392
C1C2=CN(N=C2CN1)C(=O)[O-]	PC-id_154124974	152.047	VMXYTHZFTGDURB-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003393
C1CC2=NC(=NN2C1)C(=O)[O-]	PC-id_154024273	152.047	LNSLRGUDYSLXFI-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003394
C1CN2C(=C(C=N2)C(=O)[O-])N1	PC-id_150521074	152.047	IBVUUXDFPPZZIP-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003395
C1CN(C2=C1NN=C2)C(=O)[O-]	PC-id_154463963	152.047	OQHLETALVDBCNN-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003396
C1CN2C=NC=C2C1(O)[AlH2]	PC-id_154536125	152.053	VWUMYOJIQRXPGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003397
C1c2cc(cn2CO1)C(=O)N	PC-id_163879614	152.059	PRZHWPZHRDAZCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003398
C1C2=C(C=CN2CO)C(=O)N1	PC-id_154232862	152.059	KTGJYFMQPPGFBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003399
C1C2=C(CN1)N(C=C2)C(=O)O	PC-id_161716628	152.059	XIADBZMSMPMPSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003400
C1C2=CN(C=C2CN1)C(=O)O	PC-id_160072277	152.059	OQVYBEVLOFWKKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003401
CC1(C2=C(NC1=O)N=CO2)C	PC-id_154558688	152.059	FRUIAUUIOLTTEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003402
CC(=O)N1CC2=C(C1)OC=N2	PC-id_146871696	152.059	SODYAWOLGRARSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003403
CCC1CCC2=C1C=CS2	PC-id_164050086	152.066	VXTLUJDSLYJNME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003404
C[C@@H]1CCC2=C1C=C(S2)C	PC-id_161224055	152.066	KRFJEZJDSJHKEG-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003405
C1CC2=C(N=NN2C1)C(=O)N	PC-id_154363355	152.07	DKZRZZXKVUJKFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003406
CN1C=C2CN(C(=O)C2=N1)N	PC-id_155084477	152.07	UGOBFPUHWSIJJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003407
OC(=O)c1nn2c(c1)N=N[N]2	SCHEMBL2265719	152.091	UEEAEUAJGJOLLZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003408
CC1=C2CCCN2N=C1CO	PC-id_155019625	152.095	SDNXCJVWMAGYEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003409
CC1=C2C(=NN1)CCC2(C)O	PC-id_154017924	152.095	OOBQEERQWVROQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003410
CC[C@@]1(Cn2c(ccn2)O1)C	PC-id_163680102	152.095	JKCJUTNEAMDJQD-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003411
CCC1(CN2C(=CC=N2)O1)C	PC-id_165370472	152.095	JKCJUTNEAMDJQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003412
CCC1=NC2=C(N1)CC[C@H]2O	PC-id_163797121	152.095	NBTNPDDSYHIHCC-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003413
CCC1=NN2CC(OC2=C1)C	PC-id_165370137	152.095	RCOQVFMGHXDYQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003414
CC(C)C1CN2C(=CC=N2)O1	PC-id_165369733	152.095	ZBXHAPCOXYKTLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003415
O1c2c(occ2)C(=CO)C1=O	PC-id_45083750	152.104	RDHNPRNZORQTTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003416
CCN1Cc2nc(nn2C1)C	PC-id_163722479	152.106	KSTIWAMSSDURNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003417
CNN1CCC2=C1N=CN2C	PC-id_154457665	152.106	JGNQVQQNIKXDSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003418
c12n(C)ncc1C(=O)OC2=O	TIMTEC318071,MCULE-9451413981,CoCoCo_6738308,PC-id_25251700,EMOLS-id_17083360	152.108	MSLWZIKMVUGNID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003419
c12nn(cc1C(=O)OC2=O)C	PC-id_25247499,TIMTEC419591,CoCoCo_6654932,MCULE-7807250031,EMOLS-id_17083262	152.108	RBRVZXKUNFPYGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003420
O1C(=O)c2n(cnc2C1=O)C	PC-id_83815345	152.108	ASRJFSAMILEZKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003421
O1C(=O)c2[nH]c(nc2C1=O)C	PC-id_83815346	152.108	DKFGTGNMAIGBSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003422
o1nc(c2c1C(=O)NC2=O)C	PC-id_12793484	152.108	CTIWCJADLZEOSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003423
c12c([nH]c(c1N=NC2=N)O)O	PC-id_136020818	152.111	MLELCJJBVGDBOO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003424
C1COc2n1c(N=C=O)nn2	PC-id_112716693	152.111	QMUQFHDDGMDIKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003425
Cc1nc2n(n1)C(=O)C(=N2)O	TIMTEC526060,ZINC22_6816747,MCULE-4259322657,PC-id_6025929	152.111	WKNIIORWUKFNPL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003426
O(C1=NC(=N)c2nonc12)C	PC-id_85928249	152.111	KXWMXPKOHGOKFE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003427
O=C1NC(=O)c2c1c(N)[nH]n2	PC-id_45121391,SCHEMBL18878960	152.111	VRGDANOVXRTRGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003428
O=C=Nc1nn2c(n1)OCC2	PC-id_112716692	152.111	CNSVZAHDWZWGPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003429
[O-][N+](=O)c1c[nH]c2=NCN=c12	PC-id_141489053	152.111	MTYSGXBNEWIWBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003430
Oc1on[n+]2c1C[C@H](C2)C#N	SCHEMBL19432011	152.131	LJEVJPCMYQYSFM-BYPYZUCNSA-O	00000010100000000001000010000000000000000000000000000000	25-01-003431
[O-]C(=O)c1n2CCCc2nn1	PC-id_40428301	152.131	UOWJJYRMEMYUMS-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003432
o1c2CCCc2cc1C(=O)O	PC-id_21941408	152.147	DGSABAYJVCCPBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003433
o1c2CCCc2c(c1)C(=O)O	PC-id_83479586	152.147	SJQOLVPGGWGWEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003434
o1c2C(CCc2cc1)C(=O)O	PC-id_83669302	152.147	HGFPLARBZFRTDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003435
o1c2CCC(c2cc1)C(=O)O	PC-id_83681940	152.147	BEVYERTVPWDOSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003436
o1c2CC(Cc2cc1)C(=O)O	PC-id_84013507	152.147	ZSVIYHFUYDNAME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003437
o1c(c2c(c1C)C(=O)OC2)C	PC-id_14507824	152.147	GRUHAYNAVKSLBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003438
o1cc2C(CCc2c1)C(=O)O	PC-id_83905071	152.147	XPQNKOZHCOVYAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003439
o1cc2CC(Cc2c1)C(=O)O	SCHEMBL7824513,PC-id_15814404,EMOLS-id_81817856	152.147	YFWGABUVLNKLJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003440
O1C(c2c(c(oc2)C)C1=O)C	PC-id_10103339	152.147	PCKBKFCHDLWAAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003441
OC(=O)c1c2c(CCC2)co1	ZINC22_95883912,PC-id_75481473,EMOLS-id_48597187,MCULE-4406754108	152.147	UIKXPQHSUCBEDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003442
c12c[nH]nc1CC(C(=O)O)C2	PC-id_82417188,EMOLS-id_50380035,EMOLS-id_114356460,MCULE-1728416617	152.151	ZFXGXZDJEMDXPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003443
c12COCc1nn(C)c2C=O	PC-id_83862942,MCULE-6136697011,EMOLS-id_317873910	152.151	ICFNFFKJOKKLBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003444
c12nccn1CCC2C(=O)O	MCULE-5305675682,PC-id_75355621,EMOLS-id_96346630	152.151	GUXCUQCVJJBAPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003445
c12OCCn1c(c(C=O)n2)C	PC-id_96223082,MCULE-5173486887	152.151	WOCHPAHUFXRKHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003446
C1Cc2c(C1)n(nc2C=O)O	PC-id_137437165,SCHEMBL20673993	152.151	MIMVELFHVPHSBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003447
c1(C(=O)O)c2CCCc2[nH]n1	ZINC22_8996233,MCULE-5096372552,EMOLS-id_816528,SCHEMBL1663622,SPECS-id_AT-225/JK24761,PC-id_776416,CHEMBL128604,BAS-26375439,CoCoCo_197141,BindingDB_PC-id_776416,TIMTEC140975,STOCK1S-83984,EMOLS-id_33371937,SCHEMBL16629837,CoCoCo_197142	152.151	FCYBBDFUBSEGMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003448
c1(C(=O)O)cn2c(CCC2)n1	ZINC22_82407826,SCHEMBL2325818,EMOLS-id_302624552,PC-id_67364666,MCULE-2505616954	152.151	TZQODINQTUHDGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003449
c1ncc2C(C(=O)O)CCn12	MCULE-6919381978,PC-id_82417162,EMOLS-id_316266156	152.151	VYVLNIZDARWJHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003450
C[C@@H]1OC(=O)c2c1n[nH]c2C	PC-id_93513042	152.151	JEUSJRJOBDZQMR-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003451
C[C@H]1OC(=O)c2c1n[nH]c2C	PC-id_93513043	152.151	JEUSJRJOBDZQMR-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003452
CC(=O)c1cnn2c1OCC2	SCHEMBL18418883	152.151	UYTSYPUDEHXOLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003453
CC(=O)c1n[nH]c2c1COC2	SCHEMBL18852633,PC-id_105429678	152.151	YEASVSGATIBPCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003454
CON=C1CCc2c1onc2	PC-id_118459372,SCHEMBL17190979	152.151	XNNXJSZENTWFQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003455
n12ccnc1CC(C(=O)O)C2	MCULE-8271430864,EMOLS-id_85194000,PC-id_75355620,MCULE-4199442684	152.151	LVDIWOAWCUVNEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003456
n1n2c(CCC2C(=O)O)cc1	EMOLS-id_89944590,SCHEMBL1155473,PC-id_57907386,MCULE-2949788411	152.151	KYIWIJNZZQIZJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003457
NC(=O)n1cc2c(c1)COC2	PC-id_140688349	152.151	HCKOXKUVFQDZNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003458
O1c2n(nc(c2CC1)C=O)C	PC-id_82594966	152.151	XKYLRABWONIABQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003459
O1c2n(nc(c2)C(=O)C)CC1	PC-id_82594946	152.151	FWNCVDDUEMFHFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003460
O1Cc2n(nc(c2C1)C=O)C	PC-id_83863022,SCHEMBL20673870	152.151	IQWFHVMEUFYQSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003461
O1Cc2n(nc(c2C1=O)C)C	PC-id_12765492	152.151	FJLBPSFLGJQOIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003462
O1C(c2n[nH]c(c2C1=O)C)C	PC-id_23009730	152.151	JEUSJRJOBDZQMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003463
O1CCn2c1nc(c2C=O)C	PC-id_82417176	152.151	MBBYEVPMSHGQDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003464
O1CCn2c1nc(c2)C(=O)C	PC-id_82594947	152.151	WNMDCJBNEFKUEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003465
O1CCn2c1ncc2C(=O)C	PC-id_82594968	152.151	CDJGMFFUUWGUCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003466
O1C(C(=O)n2nccc12)(C)C	PC-id_13747044	152.151	NBRCPHJTKALMMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003467
o1nc2CCC(=O)c2c1CN	PC-id_83863657	152.151	SOTDMCIHCWIAHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003468
o1nc2[C@@H](NC(=O)c2c1C)C	PC-id_45099036	152.151	SZOXGNWIAQTQOL-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-003469
o1nc2CN(Cc2c1C=O)C	PC-id_83862940	152.151	AKAOTMUTVZLBRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003470
o1nc2C(NC(=O)c2c1C)C	PC-id_75089600	152.151	SZOXGNWIAQTQOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003471
o1nc(c2c1CCC2=O)CN	PC-id_83863439	152.151	NQESAAASGKWNKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003472
o1nc(c2CN(Cc12)C)C=O	PC-id_83863000	152.151	KSNMUNMPSFRCQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003473
OC1Cc2[nH]c(nc2C1=O)C	PC-id_82594950	152.151	DYDVIHYYVLUUOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003474
O(c1n2CCC(=O)c2cn1)C	PC-id_82594965	152.151	LRFBZLKFDNIMNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003475
OC(=O)C1c2c(cn[nH]2)CC1	MCULE-6289559293,PC-id_82417185,EMOLS-id_64019697	152.151	QTZJBKAPYIDOIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003476
OC(=O)c1c2c([nH]c1)CNC2	PC-id_82417161	152.151	XHRLFRLLCZSSHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003477
OC(=O)c1c2n(CCC2)nc1	SCHEMBL5122932,ZINC22_40435252,MCULE-9239574567,EMOLS-id_44810179,PC-id_69319994	152.151	CCRGDNIETIHGAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003478
OC(=O)c1cc2CCCn2n1	PC-id_11367096,EMOLS-id_36253273,SCHEMBL1423019,MCULE-2570894829,ZINC22_40435253	152.151	CSOYACNIOQHFQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003479
s1c2c(C(CC2)C)cc1C	PC-id_20737309	152.257	KRFJEZJDSJHKEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003788
OC(=O)c1cc2c([nH]1)NCC2	PC-id_139034321	152.151	AINKAUCLPGAMEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003480
OC(=O)C1Cc2[nH]cnc2C1	PC-id_82417194	152.151	ZHLDSSGGFYKAMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003481
OC(=O)C1Cc2n(ncc2)C1	PC-id_82417168	152.151	VVUOCORKIYHHFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003482
OC(=O)C1CCc2c1nc[nH]2	PC-id_82417167,EMOLS-id_96473206,EMOLS-id_96136615	152.151	KLTXITVCVSNABE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003483
OC(=O)C1CCc2n1cnc2	SCHEMBL5429399,PC-id_69437884	152.151	CIOWMJQYMDUWRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003484
OC(=O)C1CCc2nccn12	MCULE-7610665832,PC-id_82417197,EMOLS-id_317723287	152.151	NNZXVRKUFXOFMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003485
OC(=O)C1CCc2[nH]ncc12	PC-id_82417189	152.151	LFTGZZHTUFVQNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003486
OC(=O)C1CCn2nccc12	PC-id_84716474	152.151	VQAMJIGCWNPPHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003487
OC(=O)C1Cn2c(C1)cnc2	PC-id_82417163	152.151	ZOULKHDYIBCEEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003488
O=COc1cn2c(n1)CCC2	SCHEMBL18418901	152.151	DJVKGOFRQLTERK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003489
OC(=O)c1cnc2CCCn12	MCULE-5858587046,EMOLS-id_11474137,PC-id_26967340,SCHEMBL10185310,ZINC22_16124671	152.151	GDAOCGTXUVDBOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003490
OC(=O)c1n2c(CCC2)cn1	PC-id_82651562,EMOLS-id_316230253,MCULE-1098020084	152.151	JKOWHARAVWDXBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003491
OC(=O)c1ncn2CCCc12	MCULE-3037589826,SCHEMBL17745465,PC-id_82417171,EMOLS-id_315267230	152.151	OXALEBALWIIXFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003492
OC(=O)c1[nH]c2CCCc2n1	PC-id_82417190	152.151	OXEFAOVUYYOTCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003493
OC(=O)c1[nH]c2c(CNC2)c1	PC-id_82417193	152.151	DEAJEFUQLJBORI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003494
OC(=O)c1[nH]cc2c1CNC2	PC-id_82417169	152.151	NZUBIIXMGDHGOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003495
O=C(O)[C@@H]1Cc2cn[nH]c2C1	PC-id_96635846,ZINC22_82407853	152.151	ZFXGXZDJEMDXPJ-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003496
O=C(O)[C@H]1Cc2cn[nH]c2C1	ZINC22_82407854,PC-id_96635847	152.151	ZFXGXZDJEMDXPJ-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003497
O=C(O)[C@H]1Cc2nccn2C1	PC-id_96635833,ZINC22_82407836	152.151	LVDIWOAWCUVNEP-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003498
O=C(O)[C@@H]1Cc2nccn2C1	ZINC22_82407837,PC-id_96635834	152.151	LVDIWOAWCUVNEP-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003499
O=C(O)[C@@H]1CCc2ccnn12	ZINC22_115353148,PC-id_99164984	152.151	KYIWIJNZZQIZJL-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-003500
O=C(O)[C@@H]1CCc2cn[nH]c12	PC-id_96635843,ZINC22_82407849	152.151	QTZJBKAPYIDOIQ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003501
O=C(O)[C@H]1CCc2cn[nH]c12	ZINC22_82407850,PC-id_96635844	152.151	QTZJBKAPYIDOIQ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003502
OC(=O)[C@H]1CCc2n1ncc2	PC-id_99164985	152.151	KYIWIJNZZQIZJL-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003503
O=C(O)[C@H]1CCc2nccn12	ZINC22_82407873	152.151	NNZXVRKUFXOFMY-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003504
OC(=O)[C@@H]1CCc2nccn12	ZINC22_82407874,EMOLS-id_337265869	152.151	NNZXVRKUFXOFMY-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003505
OC(=O)[C@@H]1CCn2c1ncc2	PC-id_96635857	152.151	GUXCUQCVJJBAPZ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003506
OC(=O)[C@H]1CCn2c1ncc2	PC-id_96635858	152.151	GUXCUQCVJJBAPZ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003507
OC(=O)N1Cc2c(C1)c[nH]c2	PC-id_68481612,SCHEMBL3018741	152.151	YMHYQSZDZULOPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003508
OC(=O)N1CCc2c1c[nH]c2	PC-id_68498604,SCHEMBL3063580	152.151	JEKRUWFRUBHXCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003509
c12N(C)CCn1nc(C=O)n2	PC-id_96223088,MCULE-6708793354	152.154	GSUHMVAYODNKQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003510
C1c2c(CN1C=O)[nH]nc2N	SCHEMBL14814205,PC-id_89465778	152.154	KNNDVMVZCJEDDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003511
C1c2c(CN1C(=O)N)[nH]nc2	PC-id_90705809,MCULE-4695564794	152.154	HRPDLHOPERFDSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003512
C1Cc2nnc(n2C1)/C=NO	PC-id_137119588	152.154	VICDNNPUCDVPSP-DAXSKMNVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003513
C1Cn2c(cnc2N1)C(=O)N	SCHEMBL2710410,PC-id_136345348	152.154	SNSPZBPBBIVKMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003514
CC1(c2n[nH]nc2NC1=O)C	SCHEMBL13306928,PC-id_136475777	152.154	FUPHIJGQPULGCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003515
CC1CC(=NO)c2ncnn12	MCULE-3493847236,EMOLS-id_259672935,PC-id_155894336	152.154	PGHGAYXWAOUAGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003516
CC1C/C(=NO)/c2ncnn12	PC-id_137251001	152.154	PGHGAYXWAOUAGO-WEVVVXLNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003517
Cc1nn2c(c1N)N=C(C2)O	PC-id_136485603,SCHEMBL6288488	152.154	YARNPXFVGXCLJR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003518
CCc1nnc2n1CC(=O)N2	SCHEMBL14048245,PC-id_136634094	152.154	ICOITCDHPQXXJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003519
CCc1nnc2n1CNC2=O	SCHEMBL14048236,PC-id_89233366	152.154	MLEXMCZPRAPCGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003520
CCc1nnc2n1C(=O)NC2	PC-id_89233370,SCHEMBL14048243	152.154	LDIGFHUWGMVNMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003521
CCc1nnc2n1NC(=O)C2	SCHEMBL14048240,PC-id_89233368	152.154	STFIVQYJOLXDBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003522
C[C@H]1CC(=NO)c2ncnn12	EMOLS-id_337290332	152.154	PGHGAYXWAOUAGO-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003523
CC(=O)c1c2NCCn2nn1	PC-id_135924058,CHEMBL1221800	152.154	CATVPLIDVOAPIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003524
CC(=O)C1CCn2c1nnn2	PC-id_57907542,SCHEMBL11983380	152.154	BPARCXKWYXTFHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003525
n12CCCc1nnc2C=NO	MCULE-7847601782,PC-id_137198784	152.154	VICDNNPUCDVPSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003526
n1[nH]c(C(=O)N)c2c1CNC2	PC-id_68268513,SCHEMBL12451847,MCULE-6076768510	152.154	WTDPPENBJPEYEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003527
NC(=O)C1c2c(n[nH]c2)CN1	MCULE-7760452143,EMOLS-id_313483133	152.154	CKLWSXJFKSQZSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003528
NC(=O)c1nn2c(n1)CCC2	PC-id_145225031	152.154	ZUWNOXPUMLVJDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003529
NC(=O)c1nnc2n1CCC2	PC-id_76851519,SCHEMBL14759258	152.154	UHDWSTSUDSQZTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003530
NC(=O)[C@@H]1NCc2n[nH]cc12	ZINC22_1535640396	152.154	CKLWSXJFKSQZSM-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003531
NC(=O)[C@H]1NCc2n[nH]cc12	ZINC22_1535640397	152.154	CKLWSXJFKSQZSM-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003532
NC(=O)n1cc2c(c1)CNN2	PC-id_69154782,SCHEMBL4707822	152.154	FBLCADZOLLCTKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003533
O1c2n(nc(c2)C(=N)N)CC1	PC-id_83677476	152.154	UWOFLHNZCWOQTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003534
O=C1Nc2c([nH]nc2)C1CN	PC-id_83479609	152.154	DEWYQKYVYZSZQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003535
O=C1NCc2c1nn(c2N)C	PC-id_142488647	152.154	BNQPAQSEOIPOCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003536
O=c1[nH]c2=C(N)C(C=c2[nH]1)N	PC-id_117686586,SCHEMBL16221718	152.154	AGPJFVZZAXNMHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003537
O(C1=Nn2c(nnc2C)C1)C	PC-id_22944514	152.154	KDOMERSGZNLKPI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003538
O=Cc1nnn2CCN(c12)C	PC-id_83815350	152.154	FBBCRHFTSNVSTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003539
OCCC1N=Nc2n1ncc2	PC-id_145811793	152.154	LCVSEYBMTCBMID-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003540
O/N=C/c1nnc2CCCn12	ZINC22_72206971,PC-id_137264813,EMOLS-id_45907638	152.154	VICDNNPUCDVPSP-QPJJXVBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003541
C1Cn2c(nc(n2)C(=N)N)N1	PC-id_137225525	152.157	AKKZDWSTCKLKBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003542
CC1N=Nc2n1nc(c2N)N	PC-id_69732833,SCHEMBL6286507	152.157	PBKDZOJNOMWMNY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003543
C=C1c2cscc2C(=O)O1	PC-id_89230755,SCHEMBL14042821	152.17	SBNXYACKOKCCGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003544
O=C1Cc2c(C1=O)ccs2	SCHEMBL18730188	152.17	LACCSSVASZBGQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003545
OC1=CC(=O)c2c1csc2	CoCoCo_5776532,CoCoCo_5776533	152.17	UFZAKWSFFYRCHU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003546
O=C1CC(=O)c2c1csc2	NSC709972,PC-id_399283,CoCoCo_5776531,SCHEMBL1498217	152.17	ACEBOOAENKSYHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003547
O=C1CC(=O)c2c1scc2	PC-id_11084061,SCHEMBL10038365	152.17	ASZVXHKCNHBASK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003548
S=C1n2c(C(=O)N1)ccc2	PC-id_24974450	152.174	VXNLLYCITHUSES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003549
S=C1NC(=O)n2c1ccc2	PC-id_3512470	152.174	DAIQAYLSIAPLKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003550
C[N+]1(N)C(=Cc2n1ncc2)N	PC-id_45121200,SCHEMBL5182074	152.177	PBENNDJWYJEBBP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003551
[N+]1(n2ncc(N)c2C=C1)(N)C	SCHEMBL5181176,PC-id_45121203	152.177	FKNJVPYHQMQEKS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003552
[N+]1(N)(c2n(N=C1)c(N)cc2)C	SCHEMBL5518509,PC-id_69473178	152.177	ICGILUQSZPMMGN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003553
S1CCn2c1nnc2C#N	PC-id_82651571	152.177	WSSNQWPOPNJMSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003554
S1CCn2nc(nc12)C#N	PC-id_82651570	152.177	WLZOYYHWYJLNKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003555
o1c2c(CCC2)c(c1C)CO	PC-id_83610118	152.19	OGUSZUYPFJUFLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003556
o1c2c(CCC2)cc1CCO	PC-id_83674181	152.19	JZGSEPARJXWZKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003557
o1c2c(CCC2)c(OC)c1C	PC-id_86128731	152.19	VQFMOMJVQNHHEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003558
c12C(C)CCc1n(nc2O)C	MCULE-9654071247,EMOLS-id_330959354	152.194	FRUIUMQOPFXAEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003559
c12C(C)CCc1nn(C)c2O	MCULE-4675187327,EMOLS-id_331006893	152.194	BKVSHNCLWUPAGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003560
c12C(C)CCc1n[nH]c2CO	EMOLS-id_330995637,MCULE-6375196660	152.194	OBKIWGVOWFTCLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003561
c12C(CO)CCc1nn(C)c2	EMOLS-id_54823600,MCULE-5141232683,PC-id_119053634	152.194	IXMWLFLNNYRYNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003562
c12C(O)CCc1[nH]nc2CC	MCULE-6976084764,EMOLS-id_50074118,PC-id_66489185	152.194	QSJKUMZGPWNXNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003563
C1C(=Cc2[n+]1ccs2)C=O	PC-id_134830500	152.194	GCQKYKNVRLAXKP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003564
c1(C(C)O)cnn2CCCc12	SCHEMBL20053985,PC-id_134420998,EMOLS-id_317863422,MCULE-6940193422	152.194	UKYRWTQHTMDHNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003565
CC1c2nocc2C(N1C)C	PC-id_59617057,SCHEMBL13014910	152.194	CWWFPWZOOGPSSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003566
CC1c2ocnc2C(N1C)C	PC-id_59617156,SCHEMBL13014909	152.194	QDBLUWKRNFYCCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003567
CC1Cc2c(C1CN)cno2	PC-id_112714150	152.194	DJSLTBJQGJKGJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003568
CC1Cc2c(C1N)c(no2)C	PC-id_112714155	152.194	XYSWCDLXDZXYCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003569
CC1Cc2cc(CO)nn2C1	PC-id_162349469,EMOLS-id_337163477	152.194	GQTUAXUJZYNWCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003570
CC1CC(c2c1[nH]c(=O)[nH]2)C	PC-id_121324391,SCHEMBL17736444	152.194	LPGMRDFUDGBDHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003571
CC1CCc2cc(CO)nn12	EMOLS-id_337163732,PC-id_162349428	152.194	DBNXAAPOQDXHPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003572
Cc1c(C)nc2n1CCC2O	PC-id_137412530,SCHEMBL20645941	152.194	GUKAGHSWGBIGCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003573
Cc1nn(c2c1CCC2)OC	PC-id_137399499,SCHEMBL20631134	152.194	BZLXJSIMINAQAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003574
Cc1nn(C)c2CC(O)Cc12	EMOLS-id_337959451	152.194	BXMAJSCRSGMUIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003575
CC(c1ccc2n1CCO2)N	PC-id_112489891	152.194	JIKSMEWRVJAHQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003576
CCc1cnc2n1CC(C2)O	PC-id_118578749,SCHEMBL17338873	152.194	UHPQFVVKNAJGDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003577
CC(c1cnc2n1CCC2)O	PC-id_90956298	152.194	DWDOQTWDYHGUMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003578
CCc1cnc2n1C[C@@H](C2)O	PC-id_118578748,SCHEMBL17338871	152.194	UHPQFVVKNAJGDE-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003579
CC(c1cnn2c1OCC2)C	SCHEMBL19398078	152.194	PWPCBVSWZKPKKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003580
C1=CNC2=C1SC(=O)C2=O	PC-id_153962068	152.988	KBIJHLICOPRKCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003789
CC(c1nc2c(o1)NCC2)C	PC-id_138744766,SCHEMBL21126217	152.194	IQAQTYQUFITCQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003581
CCC1NCc2c1noc2C	SCHEMBL16608519,PC-id_117985832	152.194	JKHRQSHFCXWLLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003582
CC(c1nn2c(c1)OCC2)C	SCHEMBL14925531,PC-id_89548607	152.194	MJOCNBCXVSPGFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003583
CC(c1n[nH]c2c1COC2)C	PC-id_118489271,SCHEMBL17229745	152.194	LJQGTPLFQJNQIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003584
C[C@@H](O)c1n[nH]c2CCCc12	EMOLS-id_313891922,MCULE-6515656045	152.194	AOEZDEJBESKNDJ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003585
C[C@H](O)c1n[nH]c2CCCc12	MCULE-2644085326,EMOLS-id_313891410	152.194	AOEZDEJBESKNDJ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003586
CC(N1Cc2c(C1)cno2)C	SCHEMBL19163977	152.194	ATTADCGIMVKEKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003587
CC(N1Cc2c(C1)con2)C	SCHEMBL19163827	152.194	IJKSMXCZHDILCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003588
CC(N1Cc2c(C1)nco2)C	PC-id_70350900,SCHEMBL10361559	152.194	VKNKJZCSCHPRBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003589
CCN1Cc2c(C1)nc(o2)C	PC-id_89117760,SCHEMBL13563326	152.194	UNOOLPQUJIUAAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003590
CCN1CCc2c1oc(n2)C	SCHEMBL14930320,PC-id_89552753	152.194	MJHHFBJPJUFRCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003591
CCn1nc2c(c1O)CCC2	EMOLS-id_41629274	152.194	TWTGYNPPCIHDIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003592
CCn1[nH]c(=O)c2c1CCC2	PC-id_105429755	152.194	JZEBCFWMCZSSRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003593
CC(O)c1cc2CCCn2n1	MCULE-7562380069,EMOLS-id_317863678	152.194	DLRCGRDIMUKVPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003594
CC(O)c1n[nH]c2CCCc12	PC-id_84649643,EMOLS-id_313891666	152.194	AOEZDEJBESKNDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003595
CCO[C@@H]1CCn2c1ncc2	PC-id_57412856,SCHEMBL20179285	152.194	JQWPXXDXBYRHIY-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003596
Cn1cc2c(n1)CC[C@@H]2CO	ZINC22_225796079	152.194	IXMWLFLNNYRYNU-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003597
Cn1cc2c(n1)CC[C@H]2CO	ZINC22_225796097	152.194	IXMWLFLNNYRYNU-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-003598
Cn1c(CO)c2CCCc2n1	EMOLS-id_70118656,SCHEMBL3618209,PC-id_68716056,MCULE-5773146896	152.194	VMJXNBFUUGADFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003599
Cn1nc(CO)c2c1CCC2	ZINC22_165421531,SCHEMBL3799159,EMOLS-id_324082159,PC-id_68792181	152.194	GXTQDTXWYDZHAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003600
CNC1C(C)Cc2c1cno2	PC-id_112714151	152.194	GCYOXCKORAJPKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003601
CN(C1COc2c1c[nH]c2)C	PC-id_142439491	152.194	LSAFZGXQVRMNKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003602
CNCc1noc2c1CCC2	PC-id_23006277,EMOLS-id_96405126	152.194	WRMDWSCZDIEWQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003603
n12CCCc1ccc2CNO	MCULE-2156891419	152.194	UEFLANOJAXLYBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003604
n12CCCc1cc(CNO)c2	MCULE-5301939481	152.194	CBSHYKBYANIKTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003605
n1c2CCCc2oc1CCN	MCULE-6167237306,PC-id_83949283	152.194	BMDQGEICWLCFTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003606
n1c2CCCc2oc1C(C)N	MCULE-7646465529,PC-id_83949278	152.194	CYGIUUOEGRLYII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003607
n1cc(c2CCCn12)CCO	EMOLS-id_317874685,MCULE-4367335142	152.194	VUWYXFZTSAHBCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003608
n1c(CCO)cc2CCCn12	EMOLS-id_317874429,MCULE-6552840998,PC-id_83674583	152.194	PERSBEKEFPNUQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003609
NC1c2cnoc2CC1(C)C	PC-id_112714152	152.194	DKDMMYVZIXXIQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003610
Nc1onc2c1C(C)(C)CC2	EMOLS-id_42572761,PC-id_79866751	152.194	FTMVJLMNLJBUMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003611
NCc1cc2c(o1)CCN2C	PC-id_97702935	152.194	NDLLKEXELDIEID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003612
NCc1ccn2c1C(O)CC2	PC-id_112489885	152.194	GBIFMLQBJTWSAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003613
NCc1c(O)cc2n1CCC2	PC-id_98719959	152.194	FINYOONGMLHEAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003614
NCc1noc2c1CCC2C	PC-id_80461956,EMOLS-id_96405120	152.194	AYITZQMEINABFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003615
NCCc1ccc2n1CCO2	PC-id_96635772	152.194	BCFUYTLBEINGRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003616
NCCc1ccn2c1OCC2	PC-id_96635771	152.194	AISOUKLIQLRCDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003617
NCCc1cn2c(c1)OCC2	PC-id_96733939	152.194	XRHOFKSLKGNOQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003618
o1c2C(CCc2nc1)CCN	PC-id_83872591	152.194	OPNPFXCQYHQAQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003619
o1c2C(CCc2nc1C)CN	PC-id_83872593	152.194	SYYBUUAAKUKEHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003620
o1c2CCC(c2nc1C)CN	PC-id_83872596	152.194	ZJNZIDLWUGEIFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003621
o1c2CCC(c2nc1)CCN	PC-id_83872601	152.194	MIRHKHORFVPQTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003622
o1c2C(CCc2nc1)CNC	PC-id_83872590	152.194	QIMDHUSVTZUHFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003623
o1c2CCC(c2nc1)CNC	PC-id_83872600	152.194	XJNCJAZMCKUEJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003624
o1c2CCCc2nc1CNC	PC-id_83949294	152.194	SBXPEZAUTICORZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003625
o1c2CCC(NC)c2nc1C	PC-id_83872597	152.194	OYYICMXTFCWSHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003626
o1c2c(CNC2)c(c1C)CN	PC-id_84763333	152.194	LTSYECCLLDWIPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003627
o1c2c(CNC2)cc1CCN	PC-id_84763336	152.194	RXOVEVOFONUSRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003628
o1c2c(CN(C2)C)cc1CN	PC-id_82595045	152.194	IBZBJJISXHVWFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003629
o1c2c(nc1C(C)C)CNC2	PC-id_84661788	152.194	RCPJARMCHYSDEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003630
o1c2C(NCc2nc1CC)C	PC-id_82373579	152.194	FTDIXBMPSCIJTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003631
o1c2C(NC)CCc2nc1C	PC-id_83872594	152.194	HECIUJMBOFNDLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003632
O1c2n(nc(c2CC)C)CC1	PC-id_640411	152.194	GMCBMHXAQJFCCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003633
o1c(c2CN(Cc2c1)C)CN	PC-id_82595046	152.194	BHOFUCNWMNDDJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003634
O1Cc2c([nH]c(c2CN)C)C1	PC-id_84763326	152.194	JCGNTPKNJVNUTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003635
O1Cc2[nH]c(cc2C1)CCN	PC-id_84763329	152.194	GTPWHGPCIOPOAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003636
o1nc2c(c1C(C)C)CNC2	PC-id_83845519	152.194	QDOQXVBOZAMARZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003637
o1nc2c(CCC2)c1CCN	PC-id_83845525	152.194	PAWNAENJFJCKGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003638
o1nc2C(CCc2c1)CCN	PC-id_83872605	152.194	NTLCOTLEFNFBPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003639
o1nc2c(CCC2)c1[C@@H](N)C	PC-id_83858697	152.194	RRUMSBDLSYRULQ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003640
o1nc2c(CCC2)c1C(N)C	PC-id_83845524	152.194	RRUMSBDLSYRULQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003641
o1nc2c(CCC2)c1CNC	PC-id_83845529	152.194	WOWXXDKGDHIQRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003642
o1nc2C(CCc2c1)CNC	PC-id_83872604	152.194	VSFRVFPWFYXYSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003643
o1nc2c(C(CC2)CC)c1N	PC-id_84020852	152.194	GBHCDGZYQFTUAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003644
o1nc(c2CCCc12)CCN	PC-id_28808649	152.194	PLTHDZFTSVTJIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003645
o1ncc2C(CCc12)CCN	PC-id_83861471	152.194	XUUFPOBPKWLBPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003646
o1ncc2CCC(c12)CCN	PC-id_83872608	152.194	QCMLGOJJIVDORB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003647
o1ncc2C(CCc12)CNC	PC-id_83861472	152.194	WZXNKKPCYOQOHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003648
o1nc(c2C(CCc12)CN)C	PC-id_83861479	152.194	QUGBFBBENIWGNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003649
o1ncc2CCC(c12)CNC	PC-id_83872607	152.194	ABNSEGXJTWMNRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003650
o1ncc2C(CCc12)C(N)C	PC-id_83905074	152.194	AXOFHZFHTJXAJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003651
o1nc(c2C(N)CCc12)CC	PC-id_83861451	152.194	RMVPGQIENODMQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003652
o1nc(c2C(NC)CCc12)C	PC-id_83861474	152.194	JDUPWOJYXKQLEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003653
OC1c2ccnn2CC1(C)C	SCHEMBL18338383	152.194	QKHZZUZUPOZBKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003654
OC1CCc2c1c(C)n(n2)C	PC-id_142322190	152.194	AFNVSZNTMGBDSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003655
OC1(CCc2c1c[nH]c2)CN	PC-id_83905072	152.194	HWCOOHQBAVOFQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003656
O(C1CCn2c1ncc2)CC	PC-id_76527840	152.194	JQWPXXDXBYRHIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003657
O=c1n2n(CCC2)c(c1C)C	PC-id_3040286	152.194	FCSNCOKZUHPWCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003658
O=c1n(C)c2c(n1C)CCC2	PC-id_145769896	152.194	JIPBXZGFXSKKTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003659
O=c1[nH][nH]c2CC(Cc12)(C)C	PC-id_84649645	152.194	JTSZNZIXACDOAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003660
O=c1n([nH]c2c1CCC2)CC	PC-id_66022322	152.194	MOSAPTVBAVEMEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003661
OCC1Cc2n(cnc2C1)C	PC-id_20738529	152.194	OWZHACOJFMUEMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003662
O(CC1Cc2[nH]cnc2C1)C	PC-id_59086005	152.194	YQVMKASMKXBOIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003663
OCc1c(C)nc2n1CCC2	EMOLS-id_313593646,PC-id_84649644	152.194	BJABUZXDKAESFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003664
OCC1C(N)c2n(C1)ccc2	PC-id_85194910	152.194	MEEPQNVCCAXMRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003665
OCC1n2c(CC1)c(nc2)C	PC-id_82417107	152.194	YVIWEBZUOVRLKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003666
OCC1(N)CCc2c1c[nH]c2	PC-id_83905073	152.194	CFIKFCZHZIHCBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003667
OCCc1cnc2CCCn12	PC-id_83674281,MCULE-1613552038,EMOLS-id_265118429	152.194	ISIUCDFRPZGDPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003668
OCCc1n2CCCc2cn1	PC-id_83674611	152.194	NNXGMTJCQJSWFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003669
OCCc1nc2n(CCC2)c1	PC-id_83674267	152.194	MGXHOUMDJDUEJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003670
OCCc1[nH]c2CCCc2n1	PC-id_19735654	152.194	DJTFSQRSFFQQTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003671
OCCc1n[nH]c2CCCc12	EMOLS-id_313499319,EMOLS-id_315971814,MCULE-3702113713,PC-id_83858896	152.194	RQGCNIANBGBSLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003672
OC[C@H]1[C@@H](N)c2n(C1)ccc2	PC-id_10582955	152.194	MEEPQNVCCAXMRP-POYBYMJQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003673
OC[C@@H]1[C@H](N)c2n(C1)ccc2	PC-id_10606937	152.194	MEEPQNVCCAXMRP-SVRRBLITSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003674
OCCn1c2CCCc2nc1	PC-id_19735751	152.194	YDYLQZNYORTNSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003675
O[C@H]1c2ccnn2CC1(C)C	SCHEMBL21376922,PC-id_139506271	152.194	QKHZZUZUPOZBKO-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003676
c12N(C)CCn1ncc2CN	EMOLS-id_317868784,MCULE-8603531679	152.197	BURCBJJLTSJUCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003677
c12N(C)CCn1nc(CN)c2	MCULE-1314203217,EMOLS-id_320440343,PC-id_82651604	152.197	UXHGSMHZMOUAMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003678
C1Cn2c(c(cn2)CCN)N1	PC-id_135732762,SCHEMBL5147691	152.197	RFAIPEYTGVJYRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003679
CC1(c2c(c(n[nH]2)N)CN1)C	SCHEMBL19305368,SCHEMBL17275094,ZINC22_83268304,PC-id_59145516,EMOLS-id_313489012,MCULE-7553135441	152.197	KLDLJJRSWZYEFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003680
CC1NCc2c1c(N)nn2C	SCHEMBL17275092,PC-id_83845532	152.197	RYTBQRZAPGGBAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003681
Cc1nn(c2c1CNC2N)C	SCHEMBL20572074,PC-id_135388836	152.197	UABSOZODDUIEJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003682
Cc1nnc2n1C(C)(C)NC2	SCHEMBL19546696	152.197	GDRHCTYHUJZYDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003683
Cc1nnc2n1C[C@H](CN)C2	ZINC22_238522645	152.197	HHYLGCUCBJUVSF-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-003684
Cc1nnc2n1C[C@@H](CN)C2	ZINC22_238522782	152.197	HHYLGCUCBJUVSF-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003685
CC(c1n2c(CCC2)nn1)N	PC-id_16227920,MCULE-7320062575,CHEMBL4531851,EMOLS-id_13335667	152.197	XUTYRPGBNPZBEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003686
CCC1Nc2c(N1)n(cn2)C	PC-id_140367564	152.197	KJFCYLZNCXEKJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003687
CC(c1ncc2n1CCN2)N	PC-id_112489884	152.197	YCENUTSDSGLIJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003688
CCC1NNc2cc(nn12)C	PC-id_136653639	152.197	QGLMVHOKDYQWIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003689
CC(C)c1nn2CCNc2n1	PC-id_136350690	152.197	ACUOZYGKKYFLFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003690
CC(C)C1NNc2ccnn12	PC-id_136507200	152.197	MMLVBEWWCPAWMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003691
CC([C@@H]1CCc2n1nnn2)C	PC-id_58125092,SCHEMBL12862785	152.197	YCIORUNOQGHHNU-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-003692
CC([C@H]1CCc2n1nnn2)C	SCHEMBL12862787,PC-id_58125202	152.197	YCIORUNOQGHHNU-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003693
C[C@H](N)c1nnc2n1CCC2	CoCoCo_4603150,ZINC22_12505501,PC-id_25323679	152.197	XUTYRPGBNPZBEP-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003694
C[C@@H](N)c1nnc2n1CCC2	ZINC22_12505500,CoCoCo_4603151,PC-id_25323677	152.197	XUTYRPGBNPZBEP-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003695
CCN1Cc2c(C1)cn(n2)N	PC-id_145006781	152.197	KWSHYQYGZVEWTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003696
CCN1CCn2c1cc(n2)N	SCHEMBL21018814,PC-id_138650401	152.197	MZSYBHPXNUPECK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003697
CC(N1Cn2c(C1)cnn2)C	SCHEMBL19163784	152.197	OPALMVOUWPMPNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003698
CC(N1Cn2c(C1)ncn2)C	SCHEMBL19163912	152.197	HRZCODQXTAQVKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003699
CC(N1Cn2c(C1)nnc2)C	SCHEMBL19164018	152.197	YHLLKQVLAJTXNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003700
CCn1nc2c(c1N)CNC2	PC-id_105429785	152.197	QQCKAJIOXVDOLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003701
CCn1nc(c2c1CNC2)N	PC-id_105429784	152.197	DSKMMWZQNQJCIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003702
CN1Cc2c(C1)c(nn2C)N	PC-id_83845535,SCHEMBL17275093	152.197	VVFKCTROXQCUGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003703
CN1Cc2nn(C)c(N)c2C1	PC-id_71647911,EMOLS-id_317876725,MCULE-1198153885	152.197	OFJQIYRTJOOGJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003704
CN1CCn2c1c(N)c(n2)C	PC-id_112708647	152.197	YTCVHCWINDZRNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003705
CN1CCn2c1nc(c2N)C	PC-id_96635683	152.197	WIEGOKVMTBKFKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003706
CNCc1n2c(CCC2)nn1	SCHEMBL9965967,MCULE-3807114362,ZINC22_12505130,EMOLS-id_2872298,PC-id_16227402,CHEMBL4557887	152.197	QAENERBZQAQNBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003707
CNNc1n[nH]c2c1CCC2	PC-id_145124500	152.197	BHRHDYCXWIUHBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003708
n12CCCc1nnc2CCN	CHEMBL4580536,PC-id_16227554,ZINC22_9458302,EMOLS-id_2872729,MCULE-3429023764	152.197	GESFEOZCDXMGFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003709
n12CC(Cc1nnc2C)CN	MCULE-2636382074	152.197	HHYLGCUCBJUVSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003710
n12CC(N)Cc1nnc2CC	PC-id_82417081	152.197	QFXRTSSCRKVYPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003711
n12nc(nc1CCC2)CCN	PC-id_82417046	152.197	NGBVFMBRCUUJGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003712
n12nc(nc1CCC2)C(N)C	PC-id_82417074	152.197	FVBAWVZETJZRJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003713
n12nc(nc1CCC2)CNC	PC-id_82595062	152.197	SYZWMHLXIYGNNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003714
N1c2c([nH]nc2CNC)CC1	PC-id_82417060	152.197	KAYAOJBUTVTYOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003715
N1Cc2c([nH]nc2CCN)C1	PC-id_83862248	152.197	WZUUGULVBJTFMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003716
N1(Cc2c([nH]nc2CN)C1)C	PC-id_83862254	152.197	CQIHHUNBIIHWEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003717
N1Cc2c([nH]nc2CNC)C1	PC-id_83862253	152.197	BFTAVTRKRLTWOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003718
N1C(c2c([nH]nc2N)C1)(C)C	PC-id_82651602	152.197	HWWPWFKJFSJOAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003719
N1(C(c2c([nH]nc2N)C1)C)C	PC-id_83845538	152.197	PVJKWANWSRXGRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003720
N1(Cc2c([nH]nc2N)C1)CC	PC-id_83914078	152.197	JGNBWSCXYUPFOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003721
N1(Cc2c([nH]nc2NC)C1)C	PC-id_83862245	152.197	TUSWNUNNSXQOHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003722
N1Cc2c([nH]nc2N(C)C)C1	PC-id_83863060	152.197	RBVGAACCVFEYIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003723
N1Cc2c([nH]nc2NCC)C1	PC-id_84649656	152.197	RGQMSIQEZNYVMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003724
N1Cc2c(n(nc2CN)C)C1	PC-id_83862244	152.197	ZKUDMCYPSILDCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003725
N1C(c2c(nn(c2N)C)C1)C	PC-id_83845540	152.197	HNCICBWYUJREIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003726
N1Cc2c(nn(c2NC)C)C1	PC-id_83862496	152.197	RYCGMSAZMQCMPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003727
N1Cc2[nH]c(nc2C1)CCN	PC-id_82417077	152.197	VVZNOYMXMDYFDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003728
N1(Cc2[nH]c(nc2C1)CN)C	PC-id_82417078	152.197	UCZNOMFEXMGYCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003729
N1Cc2[nH]c(nc2C1)CNC	PC-id_83949440	152.197	AFFHNLCWVREYCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003730
N1C(c2[nH]nc(N)c2C1)CC	PC-id_83845536	152.197	CTMMICYHFPAPPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003731
N1(C(c2[nH]nc(N)c2C1)C)C	PC-id_83845539	152.197	DKAMWVJALDLUOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003732
N1C(c2n(nc(N)c2C1)C)C	PC-id_83845533	152.197	CRPPAWGKOKRGDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003733
N1C(c2nn(c(N)c2C1)C)C	PC-id_83845541	152.197	DKMUMXMIWHENGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003734
N1Cc2n(nc(NC)c2C1)C	PC-id_83862229	152.197	XQXVPLROMFKZEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003735
N1(CCn2nccc12)CCN	SCHEMBL9020622,PC-id_18955288	152.197	CVLROWJYXABGLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003736
N1(n2c(ncc2)CC1)CCN	SCHEMBL9020628,PC-id_67750187	152.197	FXIYNRLERLBTMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003737
n1n(CCN)c2c(CCC2)n1	EMOLS-id_54871808,ZINC22_242390267,PC-id_119054260,MCULE-2893447990	152.197	AHQGICFVPPMJOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003738
n1[nH]nc2CCC(c12)CCN	PC-id_83872639	152.197	BWBNSFSNZLYCDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003739
n1(nnc2c1C(CC2)CN)C	PC-id_83872631	152.197	MQOXDVGDMRVWFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003740
n1(nnc2c1CNC2)C(C)C	PC-id_83864774	152.197	POOIBPILERIHFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003741
n1(nnc2c1C(NC)CC2)C	PC-id_83872632	152.197	WHKPPMMILYUXDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003742
n1(nnc2C(CCc12)CN)C	PC-id_83872634	152.197	HHKHKKNQLNELFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003743
n1(nnc2C(NC)CCc12)C	PC-id_83872635	152.197	JKZZWGKYHDGADT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003744
N(CC1CCc2n[nH]nc12)C	PC-id_83872638	152.197	XHUBECVSCNEQJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003745
NCc1nc2c([nH]1)CCN2C	PC-id_96635695	152.197	YZYWNMKWOUSCHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003746
NCc1n(C)nc2c1CNC2	PC-id_112711099	152.197	ZOZYQCHENRJCJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003747
NCCc1ncc2n1CCN2	PC-id_96635680	152.197	TWKSJAGIUBGCFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003748
[nH]1c2c(nc1C(N)C)CNC2	PC-id_83949423	152.197	BUVBQOYJJDGEEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003749
NNC1CC(n2c1ncc2)C	EMOLS-id_97237826	152.197	OJYBORRAEPPKGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003750
NNCc1n[nH]c2CCCc12	EMOLS-id_313880922,MCULE-8205106951	152.197	CTYZFTCQTLFCIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003751
S1c2n(nc(n2)C)C(=[C]1)C	PC-id_57419711	152.197	YUMMRVSUVWXXBN-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-003752
c1(C=O)scc2CCCc12	PC-id_82417043,EMOLS-id_320440612,MCULE-3455500630	152.214	UDKGPHUZUJMDOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003753
Cc1c2c(CCC2=O)sc1	ZINC22_142236316,MCULE-2199137099,PC-id_20069473,EMOLS-id_222596633,SCHEMBL9865678	152.214	IFOPNNYCDHAGKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003754
CC1Cc2c(C1=O)ccs2	SCHEMBL9865556,PC-id_12564771	152.214	GMMCAZYUUCAWHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003755
CC1Cc2c(C1=O)csc2	PC-id_112714156	152.214	SUYXMWPEVBGQJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003756
CC1Cc2c(C1=O)scc2	SCHEMBL817973,PC-id_234351	152.214	GANSKXZKECOJHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003757
Cc1cc2C(=O)CCc2s1	SCHEMBL13104453,MCULE-9543689965,PC-id_12564786,EMOLS-id_96182168,ZINC22_39247267	152.214	QVPYQYWMYQBJQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003758
Cc1cc2c(s1)C(=O)CC2	PC-id_12416658,SCHEMBL2775298	152.214	QIMYWCWNHBMEKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003759
CC1CC(=O)c2c1ccs2	SCHEMBL19135958,PC-id_10511036	152.214	AXJOWUPRJUJACD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003760
C[C@@H]1Cc2c(C1=O)scc2	CoCoCo_5332900,NSC34087,LI_101755	152.214	GANSKXZKECOJHQ-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003761
C[C@H]1Cc2c(C1=O)scc2	CoCoCo_5332901	152.214	GANSKXZKECOJHQ-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003762
O=C1CCc2c1scc2C	SCHEMBL2772247,PC-id_58862033	152.214	XHEJBRPYQYXYQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003763
O=Cc1c2CCCc2sc1	MCULE-5537410424,EMOLS-id_96273664,PC-id_71670903	152.214	FTYWCYKZBZUYGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003764
O=Cc1cc2CCCc2s1	SCHEMBL3555590,ZINC22_62351348,EMOLS-id_32345651,MCULE-5226903511,PC-id_57486910	152.214	SQKWAPNHPFBDLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003765
s1c2CCC(c2cc1)C=O	PC-id_82417044	152.214	XIPALKGOQRAKHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003766
s1c2CC(Cc2cc1)C=O	PC-id_82417045	152.214	FYKCUOLHSJGRIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003767
s1c2C(CC(=O)c2cc1)C	PC-id_85700212	152.214	KECDTDCHFRULJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003768
Cc1sc(c2c1N=NC2)C	SCHEMBL19229540	152.217	RFAICXIGLVTEFA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003769
CC(C)[n+]1ccc2n1CCN2	SCHEMBL16018960,PC-id_90395176	152.217	FSMMKANEHVFQPP-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-003770
CC(C)[n+]1c[nH]c2c1CCN2	SCHEMBL16018968,PC-id_90395184	152.217	CLAPIMQLFLJTLP-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-003771
[CH2-][CH+]1=C(C)n2c(S1)ncc2	SCHEMBL276374	152.217	WPEMNJHSODTWPX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003772
C[NH2+]Cc1n[nH]c2c1CCC2	PC-id_51650299,GD-id_ZINC26545506	152.217	PTIKSLFKWXZDSH-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-003773
CSC1=Nc2n(C1)ccc2	PC-id_70481530,SCHEMBL10963040	152.217	LSRDBEXPGZVBDP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003774
N/C=C/1NCc2c1ccs2	PC-id_145351983	152.217	YEZWVKJVJGDRKU-UTCJRWHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-003775
NCCn1cc[n+]2c1CCC2	PC-id_101507813	152.217	WBWKMNPQFCMKHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003776
NN=C1CCc2c1scc2	EMOLS-id_114357996	152.217	KBOAUJQJCVWHEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003777
s1c2c(C(=S)C=C2)cc1	PC-id_85754782	152.237	FEEAJCXBKGWORB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003778
CC1CC(c2c1scc2)C	PC-id_23572844,SCHEMBL12338492	152.257	PGQBRCBCRCIHAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003779
CC1(C)Cc2c(C1)ccs2	PC-id_141319279	152.257	KCICHVANRIYBHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003780
CC1(C)Cc2c(C1)csc2	PC-id_141807849	152.257	SQDXGBOZLAEIOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003781
Cc1c(C)sc2c1CCC2	SCHEMBL10142904,PC-id_18727892	152.257	BEAIWOQOBGBGFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003782
Cc1sc(c2c1CCC2)C	SCHEMBL18750589	152.257	WPOOKHILFLDTGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003783
CCC1Cc2c(C1)ccs2	PC-id_21317977,SCHEMBL11531713	152.257	HEJCFABXDJTVNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003784
CCc1sc2c(c1)CCC2	PC-id_68049523,SCHEMBL10158642	152.257	AIQRWJUPSAKGGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003785
s1c2CC(Cc2cc1C)C	PC-id_12717961	152.257	OSHHJKZBNUIKMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003786
s1c2C(CCc2cc1C)C	PC-id_20737315	152.257	SRUGUPJWYYNIQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003787
C1C2=C(C=N1)SC(=C2)CO	PC-id_161677929	153.025	FLPINNRZDPEFIM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003790
C1N2C=CC=C2C(S1)C=O	PC-id_153814031	153.025	NAAMLXUEOYBAIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003791
CC1=CSC2=C1C(=O)NC2	PC-id_164928317	153.025	JMADDJUOVQOWGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003792
C1C2=C(CO1)NN=C2C(=O)[O-]	PC-id_153951788	153.031	VBEOEILKNBIXDR-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-003793
C1c2c(CN1C=S)[nH]nc2	PC-id_164107460	153.036	XUAKSZPYDLJGLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003794
C1C2=CC(=CN2CO1)C(=O)O	PC-id_153964353	153.043	KPTIKCQCEQRMFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003795
C1C2=CN(C=C2CO1)C(=O)O	PC-id_153865485	153.043	VATOITKKUCUSCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003796
C1C2=C(CN1C(=O)O)N=CN2	PC-id_163755572	153.054	LTTLHSRUSIHIOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003797
C1C2=C(C(=O)N1CO)N=CN2	PC-id_153965330	153.054	KVXALPFFQHADTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003798
C1C2=C(C(=O)N1)N(N=C2)CO	PC-id_154465294	153.054	JHCQWLLFDSLORK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003799
C1C2=CN(N=C2CN1)C(=O)O	PC-id_154124975	153.054	VMXYTHZFTGDURB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003800
C1CN(C2=C1NN=C2)C(=O)O	PC-id_154463964	153.054	OQHLETALVDBCNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003801
COC1=NC2=C(N1)CNC2=O	PC-id_153965336	153.054	VYVDXJATAGIRPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003802
C1C(=Nc2n1ccn2)P=O	PC-id_122458344,SCHEMBL17981867	153.079	ACRVUAOJGLYVES-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003803
O=Pc1cn2c(n1)N=CC2	PC-id_122458341,SCHEMBL17981863	153.079	JOLDBNGXBDUEIM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003804
CC1(C(Cc2nocc12)N)N	PC-id_163868688	153.09	NDGBTIQZUBSHKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003805
CC1([C@@H](CC2=CON=C21)N)N	PC-id_153548961	153.09	XVZDDIQDQRTMKO-FOUAAFFMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003806
CC1([C@@H](CC2=NOC=C21)N)N	PC-id_153549049	153.09	NDGBTIQZUBSHKK-ULUSZKPHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003807
Cc1nn2CCOc2c1NC	PC-id_163674057	153.09	JFBXLPIWVIKFNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003808
CN(C)c1c2n(CCO2)nc1	PC-id_164086743	153.09	XCMQRDLQTXQRPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003809
c1c(oc2c1OC(=O)C2=N)O	PC-id_137252906	153.092	YWZZCCQBUDTJAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003810
o1c2c(nc1C)C(=O)OC2=O	PC-id_83815369	153.092	JGMBKJNZSPMQDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003811
o1nc2c(c1C)C(=O)OC2=O	PC-id_84649706	153.092	OOEJDJSTLUXPCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003812
O1C(=O)c2n(nnc2C1=O)C	PC-id_83815370	153.096	HTACHAGHSJLYRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003813
O=C1NC(=O)c2[nH]c(=O)[nH]c12	PC-id_83669585	153.096	BYNCHPOPFUTYQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003814
n12nc(nc1NC(=O)C2=O)N	MCULE-6058512446,TIMTEC349712,ZINC22_17005549,NSC177950,CoCoCo_5520280,PC-id_5383637,EMOLS-id_33440168	153.099	OBUBYXWLXRSLTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003815
c12cnoc1CCC2C(=O)O	EMOLS-id_54823580,PC-id_82417019,MCULE-3044627670	153.135	AQMWUQPZWRWAGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003816
c12cnoc1CC(C(=O)O)C2	MCULE-4948700821,PC-id_82417018,EMOLS-id_54823584	153.135	ZPOUCQDMVHSWGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003817
C1c2c(CO1)[nH]cc2C(=O)O	SCHEMBL15724354,PC-id_90162732	153.135	IBAMEPAULFYDMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003818
C1Cc2c(C1)oc(c2N=O)O	PC-id_136259509	153.135	WZHDBYWYKUSMFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003819
C1CC(=NOO)c2cocc12	PC-id_135190152,SCHEMBL20342554	153.135	PTBUUEQRRFNBSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003820
n1c2CCCc2oc1C(=O)O	MCULE-1105132014,PC-id_83815371,EMOLS-id_42837089,ZINC22_72219842	153.135	PPKQBQMNLFMRBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003821
n1oc(C(=O)O)c2CCCc12	PC-id_72698265,MCULE-2670528320	153.135	KQVNEUJMJQCOKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003822
o1c2C(CCc2nc1)C(=O)O	PC-id_82417015	153.135	TYRFZXFKFWVLLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003823
o1c2CCC(c2nc1)C(=O)O	PC-id_83872649	153.135	QFHFWNGDRWIKIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003824
o1c2C[C@@H](Nc2cc1)C(=O)O	SCHEMBL12864427,PC-id_58133943	153.135	DWKYFYPXMGBSAI-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003825
o1c2c(CNC2)cc1C(=O)O	PC-id_82417006	153.135	SZZZOJVHDWOLRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003826
o1c2CCNc2cc1C(=O)O	PC-id_82417007	153.135	BTWRBSRZPIUGTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003827
o1c2CC(Nc2cc1)C(=O)O	SCHEMBL12864425,PC-id_58133897	153.135	DWKYFYPXMGBSAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003828
O1c2c([nH]c(c2)C(=O)O)CC1	SCHEMBL8167692,PC-id_59180140	153.135	YBGDEMYBHNOOHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003829
o1c(c2c(CNC2)c1)C(=O)O	PC-id_82417008	153.135	FKYMNMGXDXIFFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003830
o1nc2C(CCc2c1)C(=O)O	PC-id_82595096	153.135	DDOMDIVVQCSDDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003831
o1ncc2CCC(c12)C(=O)O	PC-id_82417017	153.135	PRMCCKARLPJBOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003832
OC1c2n(C=C1O)ccc2O	PC-id_67341165,SCHEMBL2267618	153.135	SLDFZBKVXDKHTF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003833
OC1=C(O)c2n(C1)ccc2O	SCHEMBL2267620,PC-id_67341166	153.135	WOVJZEDBZNANKU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-003834
O=C(O)c1c2CCCc2on1	PC-id_23006221,MCULE-9468746988,ZINC22_11802313,EMOLS-id_43216893	153.135	DCFBJOQPEAXQKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003835
OC(=O)c1cc2COCc2[nH]1	EMOLS-id_330468037,PC-id_84763358	153.135	ONTCCEJZTPTQNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003836
OC(=O)c1ccc2n1CCO2	PC-id_96635626	153.135	UNLHZJBZJOJJFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003837
OC(=O)c1coc2CNCc12	MCULE-7737510608,EMOLS-id_317461264	153.135	LQKQGSUZVHEKRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003838
O=C(O)c1[nH]cc2c1COC2	MCULE-6381120733,EMOLS-id_337421788,ZINC22_45792894,PC-id_45082057	153.135	SJRCMPLGSSJASF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003839
OC(=O)c1[nH]cc2c1OCC2	PC-id_112545268	153.135	VMVKSKFMNQVXMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003840
O=C(O)[C@@H]1Cc2cnoc2C1	ZINC22_74343227	153.135	ZPOUCQDMVHSWGG-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003841
O=C(O)[C@H]1Cc2cnoc2C1	ZINC22_74343228	153.135	ZPOUCQDMVHSWGG-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003842
O=C(O)[C@H]1CCc2oncc12	ZINC22_74343229	153.135	AQMWUQPZWRWAGH-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003843
O=C(O)[C@@H]1CCc2oncc12	ZINC22_74343230	153.135	AQMWUQPZWRWAGH-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003844
c12nncn1CCC2C(=O)O	PC-id_83815374,EMOLS-id_49181714,MCULE-8679081460	153.139	NTDHLDBAQYJTEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003845
C1Cc2nc(cn2C1)[N+](=O)[O-]	PC-id_137326467	153.139	GSMYQKNOWDGMCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003846
C1Cn2c(cnc2N1)C(=O)O	PC-id_136601170	153.139	DGFUERYNWYNHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003847
C1CNc2n[nH]c(c12)C(=O)O	PC-id_136304023	153.139	AZUKSHUELMHWTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003848
c1(C(=O)O)c2CCCn2nn1	PC-id_84649711,EMOLS-id_330437063,ZINC22_211891685,MCULE-3794564184	153.139	JLRYJJOTKRCJGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003849
c1(C(=O)O)[nH]nc2CNCc12	ZINC22_28948776,CHEMBL247326,SCHEMBL16517228,SCHEMBL4946106,EMOLS-id_317489373,PC-id_44441327,EMOLS-id_81862786,MCULE-3413291311	153.139	IMQYXAOWQAJSAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003850
c1(C(=O)O)nnc2CCCn12	SCHEMBL15288081,MS2_ST085588,SPECS-id_AN-153/PE03301,CoCoCo_6854324,PC-id_592621,EMOLS-id_1013179,MCULE-5700654022,ZINC22_2559724	153.139	UOWJJYRMEMYUMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003851
CC1Cn2c(O1)nc(c2)N=O	PC-id_143043485	153.139	AUUZHSWLQLARFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003852
n12c(CCC1C(=O)O)cnn2	MCULE-4579103232,PC-id_84716502,EMOLS-id_50382472	153.139	YCBASQHWEWFKIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003853
n12cnnc1CCC2C(=O)O	EMOLS-id_42802838,PC-id_84618140,MCULE-1328538889	153.139	QRYADPRWDGEDOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003854
NC(=O)c1nn2c(c1)OCC2	EMOLS-id_96340844	153.139	LAIKNELHADJNFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003855
NC(=O)C1NNc2c1coc2	PC-id_141444987	153.139	JIGURSWSFNSEBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003856
NC(=O)c1n[nH]c2c1COC2	PC-id_141444908	153.139	RXZGOMBJYRWWQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003857
O1CCn2c1nnc2C(=O)C	PC-id_82595103	153.139	GKABRPZIEFJCHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003858
O1CCn2nc(nc12)C(=O)C	PC-id_82595100	153.139	DJVRVUBYYWKRCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003859
o1nc2c(C(NC2=O)C)c1N	PC-id_82651615	153.139	TXTMSAYSSCZJFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003860
o1nc(c2c1CNC2=O)CN	PC-id_82651614	153.139	QGTIJCJPTGUIIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003861
o1ncc2NC(=O)C(c12)CN	PC-id_83479652	153.139	UXIMZDGIDDDYTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003862
O=C1NCc2c1[nH]n(c2=O)C	PC-id_117703065	153.139	YJVYTQITKAZBAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003863
O=C1NCc2c1nn(c2O)C	SCHEMBL16245029	153.139	ONCQJRUYQBMYMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003864
O=C1NCc2n(c(=O)[nH]c12)C	PC-id_84020879	153.139	TUMVZJUCKMVEAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003865
O(C1NC(=O)c2[nH]ncc12)C	PC-id_13906311	153.139	ZSCPTBZAOJZNBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003866
OC(=O)C1c2c(n[nH]c2)CN1	MCULE-9676244424,EMOLS-id_304206443	153.139	CAJHCZALIIWAFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003867
OC(=O)c1c2n(CCN2)nc1	MCULE-3858885654,PC-id_135937953,EMOLS-id_50279042,ZINC22_39066328	153.139	IBVUUXDFPPZZIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003868
OC(=O)c1cc2NCCn2n1	PC-id_135741953,MCULE-7607863730,EMOLS-id_44689454	153.139	HIBFOENIPBTPGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003869
OC(=O)C1Cc2nncn2C1	MCULE-9772919041,PC-id_83815373,EMOLS-id_316266414	153.139	CNSFFNFCXAUEHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003870
OC(=O)C1Cc2n[nH]nc2C1	PC-id_84048577	153.139	JNEJVHPMFJRUJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003871
OC(=O)C1Cc2n(nnc2)C1	PC-id_84716503	153.139	TWIVTCHGGDHLCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003872
OC(=O)C1CCc2n[nH]nc12	PC-id_83872650	153.139	KRUUKUCCOKJZNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003873
OC(=O)C1CCn2nncc12	PC-id_84716504	153.139	NSNXBORFZJWTKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003874
OC(=O)C1n2ncnc2CC1	PC-id_76637877	153.139	CTFIVDSKJGPARL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003875
OC(=O)C1Nc2c([nH]nc2)C1	PC-id_82595106	153.139	UZAGZDFHWPHROE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003876
OC(=O)C1NCc2c1[nH]nc2	PC-id_82416996	153.139	SCFRFEAQHAHHPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003877
OC(=O)c1ncc2n1CCN2	PC-id_96734103	153.139	UWTNCHADUAZBMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003878
OC(=O)c1[nH]c2CCNc2n1	PC-id_82416997	153.139	PPCFJOBSOWSHNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003879
OC(=O)c1nn2CCCc2n1	SCHEMBL19659321,PC-id_82595101	153.139	LNSLRGUDYSLXFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003880
O=C(O)[C@@H]1Cc2nncn2C1	ZINC22_107117436	153.139	CNSFFNFCXAUEHF-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003881
O=C(O)[C@H]1Cc2nncn2C1	ZINC22_107117438	153.139	CNSFFNFCXAUEHF-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003882
O=C(O)[C@H]1CCc2cnnn12	PC-id_99962539,ZINC22_216588573	153.139	YCBASQHWEWFKIM-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003883
O=C(O)[C@@H]1CCc2cnnn12	ZINC22_216588528,PC-id_99962538	153.139	YCBASQHWEWFKIM-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003884
OC(=O)[C@@H]1CCc2n1ncn2	PC-id_57907478,SCHEMBL1155731	153.139	CTFIVDSKJGPARL-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003885
OC(=O)[C@@H]1CCc2nncn12	EMOLS-id_337310033,ZINC22_57354419	153.139	QRYADPRWDGEDOV-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003886
O=C(O)[C@H]1CCc2nncn12	ZINC22_57354420	153.139	QRYADPRWDGEDOV-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003887
O=C(O)[C@H]1CCn2cnnc12	PC-id_97617262,ZINC22_96509900	153.139	NTDHLDBAQYJTEQ-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003888
O=C(O)[C@@H]1CCn2cnnc12	PC-id_97617263,ZINC22_96509901	153.139	NTDHLDBAQYJTEQ-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003889
O=C(O)[C@@H]1NCc2n[nH]cc12	ZINC22_757079722	153.139	CAJHCZALIIWAFI-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003890
O=C(O)[C@H]1NCc2n[nH]cc12	ZINC22_757079741	153.139	CAJHCZALIIWAFI-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003891
OC(=O)N1Cc2c(C1)cn[nH]2	PC-id_67389434,SCHEMBL2389480	153.139	YTHFZYIBZJVELC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003892
OC(=O)n1ncc2c1CNC2	PC-id_69546397,SCHEMBL5731351	153.139	XXKOVLLHSXYGEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003893
C1C(=O)Nc2c(c(nn12)N)N	SCHEMBL6287807,PC-id_136485599	153.142	QSKVZHXYXCGMHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003894
C1C(=O)Nc2nc(nn12)CN	PC-id_137012569	153.142	LZOVFMNJDSSQGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003895
O=C(N1CCn2nnnc12)C	PC-id_13377850	153.142	ZZEBLLJIRHNBPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003896
c12cscc1C(=O)NC2=O	MCULE-1486000100,PC-id_17921844,EMOLS-id_54862821,SCHEMBL633960,ZINC22_114278939	153.159	GKTQKQTXHNUFSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003897
C1=c2c(=NC1=O)cc(s2)O	PC-id_135480516	153.159	GFWIFFPJUSJTRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003898
c1c[nH]c2c1C(=O)SC2=O	PC-id_89414083,SCHEMBL14716659	153.159	DBEXNKPTFQBRSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003899
O=C1Nc2c(C1=O)scc2	EMOLS-id_41901602,SCHEMBL19327187,PC-id_66352793	153.159	HHUNESCYNLWDSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003900
O=C1NC(=O)c2c1scc2	PC-id_818871,SCHEMBL5386186	153.159	OSEFDTSYKYIFNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003901
Cn1ncc2c1N(C)C(=O)[NH2+]2	PC-id_143338791	153.162	GUHPFJONVOEIOA-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-003902
C[N+]1(c2c(cnn2C=N1)N)N	PC-id_90758475	153.165	XXPFWMQXQBKYFG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003903
[N+]1(n2c(N=C1)ncc2N)(N)C	SCHEMBL5179702,PC-id_69343662	153.165	DQKCEPFKLFQHJO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003904
[N+]1(N=Cn2c1c(nc2)N)(N)C	PC-id_69467651,SCHEMBL5505599	153.165	ZSIYYDCIRCJORI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003905
[N+]1(N=Cn2c1ncc2N)(N)C	PC-id_69466651,SCHEMBL5503757	153.165	SDPPTVNPNMYDBA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-003906
c12[C@H](O)CCn1ccc2CO	MCULE-5299952005,NSC144848,CoCoCo_5438820,ZINC22_5086180,PC-id_105037	153.178	QFPRRXUPCPFWKD-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003907
CC(c1nc2c(o1)OCC2)C	SCHEMBL14925533,PC-id_89548609	153.178	IDPZEQKXBICJEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003908
CCC1Oc2c(O1)cn(c2)C	PC-id_141180409	153.178	HIZKLEPGURXAQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003909
CCCC1Oc2c(O1)c[nH]c2	PC-id_141180411	153.178	XQEJDDRKGDMYPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003910
Cn1c(c2CCCc2c1O)O	PC-id_91302725	153.178	VCIJGARKGKFMEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003911
n12ccc(CO)c1C(O)CC2	MCULE-5932634631,SCHEMBL3347801,PC-id_33501	153.178	QFPRRXUPCPFWKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003912
o1c2c(c(c1C)CN)COC2	PC-id_84763371	153.178	BLXLVPNVXQRNPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003913
o1c2CCCc2cc1CNO	PC-id_82595113	153.178	IPLQHZHQKVZXOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003914
o1c2CC(C(O)c2cc1)CN	PC-id_82416962	153.178	WBIBKDQCJFLVTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003915
o1c2C(CC(O)c2cc1)CN	PC-id_84049329	153.178	XEJBZWQAOGXJDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003916
o1c2c(C(N)(CC2)CO)cc1	PC-id_83905083	153.178	LRJQUDDMUYSJIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003917
o1c2c(COC2)cc1CCN	PC-id_84763374	153.178	YLOCASBIEDTVLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003918
o1c2C(N)(CCc2cc1)CO	PC-id_83905081	153.178	OLWYAANMZDJHDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003919
o1c2C(O)(CCc2cc1)CN	PC-id_83905078	153.178	KWPXMFVDAIUWNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003920
o1cc2C(N)(CCc2c1)CO	PC-id_83905082	153.178	ROVMQRDTVHUHMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003921
o1nc2c(CCC2)c1CCO	PC-id_83858735	153.178	RNCKAGOVXUSLCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003922
o1nc(c2CCC(c12)C)CO	PC-id_80462651,EMOLS-id_114359126	153.178	AODHSYFCUIHDOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003923
OC1c2c(OC)ccn2CC1	CNP0075813,PC-id_91582	153.178	UXZVEQHBBVIUCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003924
OC1(CCc2c1coc2)CN	PC-id_83905079	153.178	OVIVLPMBKWVJRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003925
OC1(CCc2occc12)CN	PC-id_83905080	153.178	LWMSQJIHUGGRDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003926
O(C1C(N)c2c(occ2)C1)C	PC-id_82416963	153.178	ZGKGLNBXFOMTJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003927
Oc1[nH]c(O)c2c1C(CC2)C	PC-id_54441216	153.178	WOFJTUWLMPQUMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003928
O=c1oc2c([nH]1)C(CC2C)C	SCHEMBL17736440,PC-id_121324389	153.178	QLWYDNDWOWAUPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003929
OC(C1CCn2c1ccc2)O	PC-id_139691038	153.178	JOIZUCITKOXMEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003930
OCc1ccn2c1[C@@H](O)CC2	MCULE-8045269512,LI_42842,CoCoCo_5438819,NSC116336,PC-id_272106,ZINC22_5004738,LI_49199	153.178	QFPRRXUPCPFWKD-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-003931
c12CNCc1nn(CC)c2O	MCULE-1533830609,EMOLS-id_324340071	153.182	PPFIJUGVIIQSPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003932
c12COCc1nn(C)c2CN	MCULE-1034797980,PC-id_112711098,EMOLS-id_317870327	153.182	NCLHKKKMCSAZRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003933
c12N(C)CCn1ncc2CO	EMOLS-id_317868528,MCULE-8095328144	153.182	NVYBSGMIOIOKEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003934
c12N(C)CCn1nc(CO)c2	MCULE-7711480931,EMOLS-id_317867249	153.182	ANQDJGBHNAUPES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003935
C1C(C(c2nccn12)N)CO	PC-id_91990278	153.182	MLMWQKMKLRUOOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003936
Cc1c(n2CCCn2c1=O)N	PC-id_135267316,SCHEMBL20430407	153.182	IQKDGKDBQIQAIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003937
CC1(C)NCc2c1[nH][nH]c2=O	EMOLS-id_317468110,ZINC22_107219209,PC-id_83845579,MCULE-9333647478	153.182	CNYBGFGZSRSJSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003938
CC1(C)NCc2c(N)noc12	PC-id_83845569,EMOLS-id_330442979	153.182	NRKWDTRXFIVWNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003939
Cc1n2CCCn2c(=O)c1N	SCHEMBL12628865,PC-id_59132947	153.182	QDKHQSFEYCBJNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003940
CC1N(C)Cc2c(N)noc12	PC-id_83845571,EMOLS-id_330465484	153.182	HIPMSMWHLITCBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003941
CC1N(C)Cc2onc(N)c12	EMOLS-id_330489293,PC-id_83845570	153.182	GPZJMBCSSJMKBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003942
CC(C1c2c(CN1)cn[nH]2)O	PC-id_91430332	153.182	IICJGJDSFFRYTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003943
CC(C1c2c(CN1)[nH]nc2)O	PC-id_91574605	153.182	VZNLETHYLJTQLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003944
CCc1nc2n(c1N)CCO2	PC-id_96635591	153.182	XBXAMSZNHDMDQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003945
CC(c1ncc2n1CCO2)N	PC-id_112489874	153.182	KOGKVEMRDLSHKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003946
C[C@@H]1C[C@@H](c2c1c(N)n[nH]2)O	PC-id_68234068,SCHEMBL12292584	153.182	OKPJZSOFMZKJCL-DMTCNVIQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003947
C[C@H]1NC(c2c1c[nH]n2)CO	SCHEMBL12326953,PC-id_68244186	153.182	SWLCBUIXYPINSX-NJXYFUOMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003948
C[C@H]1N[C@H](c2c1c(=O)[nH][nH]2)C	PC-id_94065390	153.182	WVUOMBXSERHHOX-DMTCNVIQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003949
C[C@@H]1N[C@H](c2c1c(=O)[nH][nH]2)C	PC-id_94065391	153.182	WVUOMBXSERHHOX-IMJSIDKUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003950
C[C@H]1N[C@@H](c2c1c(=O)[nH][nH]2)C	PC-id_94065392	153.182	WVUOMBXSERHHOX-QWWZWVQMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003951
C[C@@H]1N[C@@H](c2c1c(=O)[nH][nH]2)C	PC-id_94065393	153.182	WVUOMBXSERHHOX-IUYQGCFVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003952
C[C@H]([C@H]1Cn2c(C1)cnn2)O	PC-id_139193453	153.182	LYXHEDPPTRZJCB-PHDIDXHHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003953
CCn1c2CNCc2c(=O)[nH]1	PC-id_105429907	153.182	WFRQLJZSUVDFEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003954
CC(N1Cc2c(C1)non2)C	SCHEMBL19164386	153.182	GERNZQGLSCSMFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003955
CCn1nc2c(c1N)COC2	PC-id_105429911	153.182	YIVDPRUFAOHXBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003956
CCn1nc2n(c1=O)CCC2	SCHEMBL14372289,PC-id_20731879	153.182	XUGMHTPHBZMGGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003957
CCn1nc(c2c1COC2)N	PC-id_105429908	153.182	IGRPOTBNYUTQCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003958
CCn1[nH]c2c(c1=O)CNC2	PC-id_105429910	153.182	HZBOHZDZZDISFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003959
CN1Cc2c(C1)c(=O)n([nH]2)C	PC-id_105429912	153.182	LOQZKNNBJXDFOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003960
CN1Cc2c(C1)[nH]c(=O)n2C	SCHEMBL17954526,PC-id_122435314	153.182	RAPVPSPBMQIZML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003961
CN1CCn2c1c(C)c(=O)[nH]2	PC-id_145046769	153.182	FULRTLJCXVOMPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003962
CNc1cc(=O)n2n1CCC2	PC-id_89066556,SCHEMBL13356390	153.182	BDXNGCIUANYKID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003963
CNc1noc2c1CN(C2)C	PC-id_112711041	153.182	FQAQNAPZXLGQLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003964
CNCc1cnc2n1CCO2	PC-id_96734172	153.182	HQQNMLVMEJWIOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003965
CNCc1ncc2n1CCO2	PC-id_96734187	153.182	CWUUGFYLLYSYGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003966
COc1nn2c(c1)N(CC2)C	PC-id_141425361	153.182	DQLOWALYINFDGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003967
COCc1n[nH]c2c1CNC2	ZINC22_306126679,EMOLS-id_50369761	153.182	FBTZLFREYQZTGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003968
CON1Cc2c(C1)c([nH]n2)C	SCHEMBL17234817,PC-id_118493378	153.182	BDXUVJNYPKWBIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003969
CONC1CCn2c1ncc2	EMOLS-id_265122193	153.182	CRHRYGWOEMKERK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003970
n1n(CCO)cc2c1CNC2	PC-id_77230976,MCULE-8338060513	153.182	VSEIOHYPJKVYNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003971
NCc1cc(=O)n2n1CCC2	SCHEMBL19030860	153.182	AWRIMSXHYMQARN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003972
NCc1nc2c([nH]1)COC2C	PC-id_102970350	153.182	KUFLAZWFNOXPBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003973
NCCc1c2CCOc2n[nH]1	PC-id_96734275	153.182	LRMNSNTTXWSSGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003974
NCCc1ncc2n1CCO2	PC-id_96734188	153.182	SLYACUBPHFIMSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003975
N[C@@H]1[C@H](CO)Cn2c1ncc2	PC-id_101185250	153.182	MLMWQKMKLRUOOD-NTSWFWBYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003976
N[C@H]1[C@H](CO)Cn2c1ncc2	PC-id_101185254	153.182	MLMWQKMKLRUOOD-WDSKDSINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003977
N[C@@H]1[C@@H](CO)Cn2c1ncc2	PC-id_101185255	153.182	MLMWQKMKLRUOOD-PHDIDXHHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003978
NOCc1n[nH]c2CCCc12	EMOLS-id_313880666,MCULE-3249871124	153.182	DDTADMLSIGZYKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003979
o1c2C(CCc2nc1N)CN	PC-id_83872662	153.182	JEFDCOBJPRNUOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003980
o1c2CCC(c2nc1N)CN	PC-id_83872664	153.182	IOZUPWYUVBGREW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003981
o1c2CCC(NC)c2nc1N	PC-id_83872665	153.182	RXCAJLKHAJFGNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003982
o1c2c(nc1CCN)CNC2	PC-id_83949311	153.182	UYVNMFFUJWIRJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003983
o1c2c(nc1C(N)C)CNC2	PC-id_83949307	153.182	VIJPKGNLYVEWPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003984
o1c2c(nc1CNC)CNC2	PC-id_83949327	153.182	ZDWGRUBZEMAGQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003985
o1c2C(NC)CCc2nc1N	PC-id_83872663	153.182	YTGFTNWMXSMINO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003986
O1c2n(CC1)cc(n2)CCN	PC-id_82595171	153.182	UHHDYHHLCXGNTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003987
O1c2n(CC1)c(c(n2)C)CN	PC-id_82595219	153.182	DKGIOUSRAUZKCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003988
O1c2n(CC1)cc(n2)C(N)C	PC-id_82416871	153.182	YAECSQOBRCJNIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003989
O1c2n(CC1)c(c(n2)CN)C	PC-id_82595172	153.182	AFWWWIBRAGSIEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003990
O1c2n(CCN)cnc2CC1	PC-id_82416923	153.182	DYRZKNBPDMMGOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003991
O1c2n(nc(c2)CCN)CC1	PC-id_82595145	153.182	DXDPYSZHBOVGOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003992
O1c2n(ncc2CCN)CC1	PC-id_84731286	153.182	DCEBHLIKGQODJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003993
O1c2n(nc(c2)CNC)CC1	PC-id_82595143	153.182	ZHEZKRIUBTYCCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003994
O1c2n(nc(c2CN)C)CC1	PC-id_84038612	153.182	CXNFTNGQTWDESX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003995
O1c2n(nc(C(N)C)c2)CC1	PC-id_82595144	153.182	NPJBMVRNCUXJFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003996
O1Cc2c([nH]nc2CCN)C1	PC-id_83862247	153.182	BJVNMTQAXHYCSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003997
O1Cc2c([nH]nc2CNC)C1	PC-id_83862252	153.182	QIYLVEYRVMCBFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003998
O1Cc2c(n(nc2CN)C)C1	PC-id_83862243	153.182	YISFZJHYPJEQJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-003999
O1Cc2c(nn(c2NC)C)C1	PC-id_83862494	153.182	QBWRMYKFPXXQDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004000
O1Cc2[nH]c(nc2C1)CCN	PC-id_82416936	153.182	LQEHWWHLRCBXBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004001
O1Cc2n(nc(NC)c2C1)C	PC-id_83862227	153.182	MOZKCCIVVNWSFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004002
O1CCn2c1nc(c2)CNC	PC-id_82595170	153.182	RDHUNMWIKPZSLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004003
O1CCn2c(CCN)cnc12	PC-id_82416913	153.182	IKCLCVOOBFOWTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004004
O1CC(n2nc(cc12)C)CN	PC-id_84731285	153.182	PQFRZYGQMURXMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004005
o1nc2c(CNC2)c1CCN	PC-id_83862415	153.182	MDVLAGVFXKCDKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004006
o1nc2c(CNC2)c1CNC	PC-id_83862421	153.182	AKIFRDGBTIKLTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004007
o1nc2c(CNC2)c1N(C)C	PC-id_83863044	153.182	CYXJPEQGXHPPDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004008
o1nc2c(CN(C2)C)c1CN	PC-id_83862422	153.182	ULWKXVKESDSLBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004009
o1nc2c(CN(C2)C)c1NC	PC-id_83862410	153.182	WHBYQXZPUZBGGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004010
o1nc2c(C(NC2)(C)C)c1N	PC-id_82651651	153.182	IDAJQSXRBLTMNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004011
o1nc2c(C(N(C2)C)C)c1N	PC-id_83845575	153.182	HKOWSBUNDNENPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004012
o1nc2C(N(Cc2c1N)C)C	PC-id_83803083	153.182	IAVUKUSCJUTCLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004013
o1nc2C(NCc2c1N)CC	PC-id_83845572	153.182	UNAXKSAZMPTIMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004014
o1nc2C(NCc2c1N)(C)C	PC-id_83845574	153.182	BZQLDFSNEPIJHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004015
o1nc2CN(Cc2c1N)CC	PC-id_83914086	153.182	ODKGYARTADTOIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004016
o1nc(c2CN(Cc12)C)CN	PC-id_82416891	153.182	XCMVNMKZMZUHFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004017
o1nc(c2CNCc12)CCN	PC-id_83862155	153.182	HZMUQFHYUHSMSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004018
o1nc(c2CNCc12)CNC	PC-id_83862161	153.182	VTRBIFIKOQYSNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004019
o1nc(N)c2c1C(NC2)CC	PC-id_83845567	153.182	VFXNUNCPAZEARP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004020
OC1CC(c2c1[nH]nc2N)C	PC-id_77432392	153.182	OKPJZSOFMZKJCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004021
OC1CCc2[nH]nc(c12)CN	PC-id_83863538	153.182	WTQZSVPLBILGNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004022
OC1(CCc2[nH]ncc12)CN	PC-id_83905084	153.182	HRXKQBVQXMSLHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004023
OC1C(N)Cc2[nH]c(nc12)C	PC-id_82416873	153.182	FXMZBPQKKWWEBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004024
OC1C(NC)Cc2[nH]cnc12	PC-id_82416872	153.182	BDBDRGHFQYEBAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004025
O=c1n(c2c(n1C)CNC2)C	PC-id_82595129	153.182	VPNDKRAZQVIELW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004026
O=c1[nH]n(c2c1CN(C2)C)C	PC-id_83845582	153.182	JEJLXKGWVKVRTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004027
O=c1[nH]n(c2c1C(NC2)C)C	PC-id_83845584	153.182	ZKICSUCLZVYALA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004028
O=c1[nH]n(c2C(NCc12)C)C	PC-id_83845583	153.182	BNZFNHGHGOYGOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004029
O=c1[nH][nH]c2c1C(CC2)CN	PC-id_82416920	153.182	HHHHBPLKVKCRBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004030
O=c1[nH][nH]c2c1C(N(C2)C)C	PC-id_83845580	153.182	LTKRYIFTGYBRPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004031
O=c1[nH][nH]c2CC(Cc12)CN	PC-id_82416918	153.182	BAAXAZNGDRXMIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004032
O=c1[nH][nH]c2C(CCc12)CN	PC-id_82416919	153.182	GLMHQGBHWBRKEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004033
O=c1[nH][nH]c2C(NCc12)CC	PC-id_83845577	153.182	YXGDVQVKCOSOOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004034
O=c1[nH][nH]c2C(N(Cc12)C)C	PC-id_83845581	153.182	CVLROMBPOBHBIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004035
O(c1n(nc2c1CNC2)C)C	PC-id_83845554	153.182	CZTBTZSPGUDGTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004036
O(c1nn(c2c1CNC2)C)C	PC-id_83845555	153.182	LMXJGDMILZIMMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004037
O=c1n([nH]c2c1C(NC2)C)C	PC-id_83845587	153.182	TWSSTAZPRZEMPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004038
O=c1n([nH]c2c1C(N)CC2)C	PC-id_82416931	153.182	UKATZFHTFNROQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004039
O=c1n([nH]c2CC(N)Cc12)C	PC-id_82416932	153.182	UYPZCZYBGZLVGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004040
O=c1n([nH]c2C(NCc12)C)C	PC-id_83845586	153.182	SMKICJYYNWEJGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004041
O=c1n([nH]c2C(N)CCc12)C	PC-id_82416930	153.182	RIOLJFRLQISLGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004042
OCc1cc2[N]N=Cc2s1	EMOLS-id_317679318	153.182	BPSVQSWWOZDEGX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004043
OCC1NC(c2c1[nH]nc2)C	PC-id_77434778	153.182	SWLCBUIXYPINSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004044
OCC1(N)CCc2[nH]ncc12	PC-id_83905085	153.182	OMASCWGRDAJUIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004045
OCc1n(C)nc2c1CNC2	PC-id_105429905	153.182	KKKMTDZCCFBADL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004046
OCc1nn(c2c1CNC2)C	PC-id_84649763	153.182	MQTIGVBTWHCPOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004047
OCCc1nn2CCCc2n1	PC-id_83674261	153.182	ORIUWNWKUBGNPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004048
OCCN1CCc2n1ccn2	SCHEMBL9020175,PC-id_67749999	153.182	BOIUNVNMRHMJNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004049
OCCN1CCn2c1ccn2	SCHEMBL9020168,PC-id_15077734	153.182	IYRQFWDWRJVMKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004050
OCCn1ncc2c1CNC2	ZINC22_238691582	153.182	VSYKWFMFOJLPKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004051
ON1Cc2c(C1)nc(n2C)C	PC-id_118613800,SCHEMBL17380055	153.182	ZVNMPNNHFOVMNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004052
ONC1CC(n2c1ncc2)C	EMOLS-id_265122384	153.182	CQJVQYVZGOCGFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004053
ONCc1n2CCCc2cn1	PC-id_82651633	153.182	USHZQPXFIHULTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004054
ONCc1nn2CCCc2c1	PC-id_82651634	153.182	PDVSVSYLAOIAKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004055
ONCc1n[nH]c2CCCc12	EMOLS-id_313896540,MCULE-6606299833	153.182	TXNLFDAQLXOUIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004056
c1c2c(cs1)[N+](=N)N=C2N	PC-id_137092695	153.185	XTKUMOHZCHCIHY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004057
C1Cn2c(nc(n2)CCN)N1	PC-id_136308599	153.185	PIGJLONUNHEXON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004058
CC1NNc2c(c(nn12)C)N	PC-id_136649388	153.185	GYWZJVPAVOAYHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004059
CC(c1c2NCCn2nn1)N	PC-id_136305546	153.185	WEGPZJXMDUFCRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004060
CC(c1nn2CCNc2n1)N	PC-id_136308598	153.185	HRGHFSVRHWBDBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004061
CCC1NNc2c(cnn12)N	PC-id_136651812	153.185	AWDXFGWFRICRSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004062
CN(C)c1nn2CCNc2n1	PC-id_135682423	153.185	BRANILHCNMHBIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004063
CN(C)c1nnc2n1CCN2	PC-id_135682422	153.185	IMKWWFFZEWDIGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004064
N1(CCn2nc(nc12)CN)C	PC-id_82595225	153.185	MJFSEFVZVUPFPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004065
N1(CCn2nnc(c12)CN)C	PC-id_82416858	153.185	UIZHUDOSPJCLTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004066
c12ccsc1C(CC2=O)N	EMOLS-id_42838960,MCULE-6824649242,PC-id_14069382	153.202	XGOZDZXFVRBKJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004067
c12ccsc1C(=O)CC2N	PC-id_390203,SCHEMBL3293542,EMOLS-id_300429609,MCULE-9618424439	153.202	YQMHSDHUZPPMDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004068
c12CNCc1scc2C=O	EMOLS-id_260331117,MCULE-2562342947	153.202	UDFIYBYMQPUFOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004069
c12cscc1N(CC2=O)C	MCULE-3963770344,PC-id_96635513	153.202	ODSYSNGYLUKBII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004070
C1Cc2c(C1C=O)ncs2	PC-id_88863701,SCHEMBL11983649	153.202	UKNNFTLUIOTJAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004071
C1Cc2c(C1N=O)ccs2	PC-id_91469718	153.202	CALXLBMTBKUOKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004072
c1scc2c1C(=O)C(N)C2	MCULE-3144854344	153.202	JRKCOGZKBMLTRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004073
Cc1cc2c(s1)C(=O)NC2	PC-id_68222823,SCHEMBL12240927	153.202	SXCQPPOXPLHALP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004074
Cc1cc(C)[n+]2CC(O)Cn12	GD-id_ZINC13509797,EMOLS-id_300456914,MCULE-3507439988,PC-id_498079,ZINC22_13509797	153.202	XICIRWRDZJIXAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004075
Cc1sc2c(c1)C(=O)NC2	PC-id_57590023,SCHEMBL279791	153.202	VTOYKASWRYKZLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004076
CN1Cc2c(C1=O)ccs2	PC-id_68167718,SCHEMBL11923827	153.202	BIIWKWIPCGWLAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004077
CN1Cc2c(C1=O)scc2	SCHEMBL14463930,PC-id_58784571	153.202	YBGVQNVLMWSSEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004078
CN1C(=O)Cc2c1csc2	PC-id_58414330,SCHEMBL11998969	153.202	QSKQYVVVHVJHCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004079
n1c(C=O)sc2CCCc12	EMOLS-id_36503403,PC-id_28950174,MCULE-9802382682,SCHEMBL15896560,ZINC22_20441872	153.202	DJFDDSCRAJTISY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004080
Nc1sc2c(c1)C(=O)CC2	EMOLS-id_313715225,PC-id_97766199	153.202	SEJPUBKBNBBXBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004081
N[C@@H]1CC(=O)c2c1csc2	CoCoCo_5770694	153.202	UJQXWDDRWAPPTB-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004082
N[C@H]1CC(=O)c2c1csc2	CoCoCo_5770695	153.202	UJQXWDDRWAPPTB-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-004083
N[C@H]1CC(=O)c2ccsc12	ZINC22_72220932,PC-id_95732609	153.202	XGOZDZXFVRBKJG-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004084
N[C@@H]1CC(=O)c2ccsc12	ZINC22_72220933,PC-id_95732610	153.202	XGOZDZXFVRBKJG-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004085
N[C@H]1CC(=O)c2sccc12	CoCoCo_5754414,ZINC22_1650892,EMOLS-id_337347553,PC-id_6993619	153.202	YQMHSDHUZPPMDS-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004086
N[C@@H]1CC(=O)c2sccc12	PC-id_7062384,ZINC22_3884502,CoCoCo_5754413	153.202	YQMHSDHUZPPMDS-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004087
O=C1Cc2c(N1C)ccs2	SCHEMBL11998966,PC-id_58414329	153.202	KEYGBQPQILYOMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004088
O=C1Cc2c(N1)c(cs2)C	EMOLS-id_96426199	153.202	ZBSYSFUOGOUTIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004089
O=C1CCc2c1scc2N	SCHEMBL14502265,PC-id_58862019	153.202	DKYRAUFSHLWZPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004090
O=C1NCc2c1csc2C	PC-id_142387876	153.202	FZNWXKJSUHSZLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004091
O=C1NCc2c1scc2C	SCHEMBL21152989,PC-id_139308151	153.202	LRFGYXNIBNIDCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004092
O=Cc1cc2c(s1)NCC2	PC-id_96635510	153.202	JDAUEUZQKLHLTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004093
O=Cc1sc2c(c1)CNC2	SCHEMBL12883831,PC-id_82416852	153.202	QIZHNBDTXWIYGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004094
O=C[C@@H]1CCc2c1ncs2	SCHEMBL11983432	153.202	UKNNFTLUIOTJAB-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004095
O=CN1Cc2c(C1)ccs2	PC-id_141432077	153.202	ZXCIXYBNUWMIFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004096
O/N=C/1CCc2c1ccs2	SCHEMBL6644351	153.202	AJEGMWQYXQZNJM-SOFGYWHQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004097
O=NC1CCc2c1scc2	PC-id_54215910	153.202	PZDUSVVCJCBLQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004098
ON=C1CCc2c1scc2	SCHEMBL7293034,PC-id_21815342	153.202	GOLWSRVBSVLITK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004099
s1c2c(CC(N)C2=O)cc1	PC-id_82595231	153.202	IJZYOSLQLWXQKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004100
s1c2CCC(=NO)c2cc1	PC-id_12919200	153.202	AJEGMWQYXQZNJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004101
s1c2CC(N)C(=O)c2cc1	PC-id_82416853	153.202	JAGDJIHDCVFYLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004102
s1c2c(NC(=O)C2)cc1C	PC-id_82595235	153.202	ILAIWMIGVXWOQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004103
s1c2NC(=O)Cc2cc1C	PC-id_18731832	153.202	QINPPHJPHJTSJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004104
s1c(c2CCNc2c1)C=O	PC-id_82416848	153.202	JSMXVMZIRGBXGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004105
s1c(c2c(CNC2)c1)C=O	PC-id_82416849	153.202	QMBRCEDJGIMTMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004106
s1c(c2c(CNC2=O)c1)C	PC-id_82595232	153.202	QGVIWWQAXAGNBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004107
s1cc2C(N)CC(=O)c2c1	PC-id_396929	153.202	UJQXWDDRWAPPTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004108
s1c(c2NCCc2c1)C=O	PC-id_82416847	153.202	OFQPBRBTCJCFKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004109
s1c(c2NC(=O)Cc2c1)C	PC-id_10678438	153.202	NBFMVWDFMAQDFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004110
C=C1Nc2c(N1C)scn2	PC-id_143338802	153.205	GQSAMXOHVXBONM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004111
n12CCCc1nnc2CC[NH3+]	PC-id_41078437	153.205	GESFEOZCDXMGFO-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004112
n12CCCc1nnc2[C@H]([NH3+])C	PC-id_25323676	153.205	XUTYRPGBNPZBEP-RXMQYKEDSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004113
n12CCCc1nnc2[C@@H]([NH3+])C	PC-id_25323678	153.205	XUTYRPGBNPZBEP-YFKPBYRVSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004114
n12CCCc1nnc2C[NH2+]C	PC-id_25323425	153.205	QAENERBZQAQNBE-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004115
n12CCCc1nnc2C([NH3+])C	PC-id_74420391	153.205	XUTYRPGBNPZBEP-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004116
c12C(CN)CCc1scc2	MCULE-8824187121,PC-id_53239196,SCHEMBL2041734	153.245	VMANPYMZMLYRPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004117
c12ccsc1CC(C)C2N	MCULE-6664959251,PC-id_82277946	153.245	JZQKOXFJZMWFCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004118
c12C(N)CCc1sc(C)c2	EMOLS-id_53843656,PC-id_83905097,MCULE-5779345824	153.245	FZBPUCRQPMIDJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004119
C1Cc2c[nH]c(c2C1)CS	SCHEMBL13977545,PC-id_89216583	153.245	OKGSXPKZKSZYMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004120
CC1(c2sccc2CN1)C	EMOLS-id_110790266,MCULE-7339116924	153.245	CJTBZTRRTVTUDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004121
CC1(c2sccc2NC1)C	PC-id_21300180,MCULE-4152699409,EMOLS-id_96219435	153.245	VDDRUPAYTAOOSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004122
CC1Cc2c(C1N)scc2	PC-id_112714160	153.245	XBPYSFULQMGLPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004123
Cc1cc2[C@@H](N)CCc2s1	EMOLS-id_337379920	153.245	FZBPUCRQPMIDJC-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004124
Cc1cc2n(c1C)CCS2	SCHEMBL14524525,PC-id_89356919	153.245	LNACPIFYNBGHJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004125
CC1CCc2c1c(N)cs2	EMOLS-id_96467459,PC-id_114749315	153.245	QFRNONPOPYAHLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004126
CC1CCc2c1nc(s2)C	SCHEMBL14734658,EMOLS-id_107190608,PC-id_89420095	153.245	WALXCFRFOHBIBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004127
CC1CC(c2c1scn2)C	PC-id_23572843,SCHEMBL12338484	153.245	QTGKAYZPFOMAKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004128
CC1(C)CCc2c1ncs2	EMOLS-id_107754673	153.245	SKJGPZHWOTXJCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004129
CC1(C)CNc2c1ccs2	PC-id_98012346	153.245	WWGWTOZMCVJAGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004130
Cc1cn2c(c1C)SCC2	SCHEMBL14524152,PC-id_89356851	153.245	ASFQSWLCBIZQIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004131
Cc1cn(c2c1CSC2)C	PC-id_89447108,SCHEMBL14788246	153.245	DDSBDOVOYLBVQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004132
Cc1c(N)sc2c1CCC2	PC-id_58862031,SCHEMBL14502269	153.245	ZAUKRUPBUFTPHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004133
Cc1sc2CCCc2c1N	EMOLS-id_324735561	153.245	JNTGNOZTCSZGJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004134
Cc1sc(c2c1CNC2)C	SCHEMBL9184157,PC-id_18947040	153.245	NGMFYESLRBGZKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004135
CCC1CCc2c1ncs2	EMOLS-id_107282643	153.245	JWNQVACUUWYFCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004136
CCc1sc2c(c1)CNC2	SCHEMBL19406888	153.245	DEPAQXOHUJDQMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004137
CCc1sc2c(n1)CCC2	SCHEMBL9967003,PC-id_58541380	153.245	BEDFYAWIFLERQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004138
CCc1scc2c1CNC2	PC-id_18947039,SCHEMBL9408154	153.245	LVXIJEFBXHEDLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004139
CN1Cc2c(C1)c(sc2)C	PC-id_145406039	153.245	JVBFWUVKTFMRSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004140
CNC1CCc2c1ccs2	PC-id_59074255,EMOLS-id_96224538	153.245	ZDSZNWYPCQZNEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004141
CNC1CCc2c1scc2	EMOLS-id_96397469,PC-id_83905094	153.245	FXYXYRRBUVFFNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004142
CSc1ccc2n1CCC2	PC-id_101032272	153.245	CXLCFODEJJNVJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004143
NCc1cc2CCCc2s1	EMOLS-id_7639873,ZINC22_19414556,PC-id_24688589,MCULE-2723304051,CoCoCo_4688809	153.245	JFWMSCGNMHKOHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004144
NCC1CCc2c1scc2	PC-id_83905092,SCHEMBL14903795	153.245	HUIKENLYGJRATE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004145
NCc1csc2c1CCC2	PC-id_33699466,EMOLS-id_96465736	153.245	RJTPUWPYIVFFAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004146
NC[C@@H]1CCc2c1ccs2	PC-id_97010237	153.245	VMANPYMZMLYRPY-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-004147
NC[C@H]1CCc2c1ccs2	PC-id_97010238	153.245	VMANPYMZMLYRPY-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004148
s1c2CC(Cc2nc1C)C	PC-id_58732490	153.245	YLMAWAPNQYNMSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004149
s1c2c(C(NC2)C)cc1C	PC-id_20763659	153.245	LFLHRSRDKULVAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004150
s1c2c(C(N)CC2)c(c1)C	PC-id_82378120	153.245	ZNJNVOQIYJFXOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004151
s1c2C(NCc2cc1C)C	PC-id_20763701	153.245	SZZJLHIPCWMHOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004152
s1c2CN(Cc2cc1)CC	PC-id_58135150	153.245	KEEZYIFUVCJRKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004153
s1c2C(N)CCc2cc1C	PC-id_83905096	153.245	GPVPZPOTPCTNMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004154
s1c(c2CCCc2c1)CN	PC-id_82595305	153.245	AKHMFUCQYZFGFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004155
s1cc2C(CCc2c1)CN	PC-id_83905093	153.245	SCMJZYGBRXWSEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004156
s1cc2CC(C)C(N)c2c1	MCULE-9988581640,PC-id_112714161	153.245	VIKHVESPBSZMPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004157
s1cc2C(CNc2c1)(C)C	PC-id_21300175	153.245	KRUPTCPHKYQYHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004158
s1cc2C(NC)CCc2c1	PC-id_83905095	153.245	BTQNQTIXXUBZAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004159
C1OC2=CN(C=C2O1)C(=O)[O-]	PC-id_154078394	154.015	ICTOCSNLXPLIOK-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-004160
CC1=CN=C2N1C(=O)CS2	PC-id_154065089	154.02	MIMLIBQCFNSGEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004161
CN1C(=O)CC2=C1SC=N2	PC-id_161201944	154.02	MEDSRZMRAXVFES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004162
C1C2=C(OC=C2NO1)C(=O)N	PC-id_153982308	154.038	KZTCRISSBTXHLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004163
Cc1c(n2CCSc2n1)C	PC-id_164029534	154.056	VGQYLLQEYPDFIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004164
CC1=C2N(CCO2)N=C1CO	PC-id_155019721	154.074	LGQPQFTVBJGTMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004165
CN1C2=C(COC2)N(C1=O)C	PC-id_153487712	154.074	MTQSFVRKHALFNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004166
COCC1CN2C(=CC=N2)O1	EMOLS-id_337735064,PC-id_165370266	154.074	WSYHNQCQVFDZNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004167
CONC1CCc2c1onc2	PC-id_163667874	154.074	JAAIAWAYMMUYSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004168
O=C1OC(=O)c2c1[nH]c(=O)[nH]2	PC-id_141097020	154.08	ZGUDJRLGVNFLCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004169
C1(N(=O)=O)N=Nc2ncnn12	MCULE-7015177239,TIMTEC64728,EMOLS-id_6813933,PC-id_3918127	154.087	AWCMXTWJKQDRDJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004170
C1(N(=O)=O)N=Nc2nncn12	PC-id_3524305,MCULE-1182576140,EMOLS-id_2722561	154.087	ZHDIWIXRSZUWRV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004171
O=[N+]([O-])[C@@H]1N=Nc2ncnn12	CoCoCo_1983459,ZINC22_4593310,PC-id_7298231	154.087	AWCMXTWJKQDRDJ-GSVOUGTGSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004172
O=[N+]([O-])[C@H]1N=Nc2ncnn12	ZINC22_4593311,CoCoCo_1983460,PC-id_7298232	154.087	AWCMXTWJKQDRDJ-VKHMYHEASA-N	00000011100000000001000010000000000000000000000000000000	25-01-004173
O=[N+]([O-])[C@@H]1N=Nc2nncn12	ZINC22_4343691,PC-id_7201067	154.087	ZHDIWIXRSZUWRV-GSVOUGTGSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004174
O=[N+]([O-])[C@H]1N=Nc2nncn12	ZINC22_4343693,PC-id_7201068	154.087	ZHDIWIXRSZUWRV-VKHMYHEASA-N	00000011100000000001000010000000000000000000000000000000	25-01-004175
O1Cc2c(c(oc2)OC)C1=O	PC-id_21638367	154.12	GJYCNFUPGYNMED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004176
O1Cc2c(oc(c2)C(=O)O)C1	PC-id_84763460,SCHEMBL16418560	154.12	HIHKGZIZPMLVSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004177
OC(=O)c1c2c(COC2)oc1	ZINC22_39066409,PC-id_15201043,SCHEMBL16415937,EMOLS-id_81818652,MCULE-8975624398	154.12	SARLSCVUZGILKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004178
C1c2cc(nn2CO1)C(=O)O	PC-id_91667226	154.123	NGNLXRWORQIZRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004179
C1c2c(cnn2CO1)C(=O)O	PC-id_91667227	154.123	IJJGYJMNLKGFEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004180
C1c2cn(cc2NO1)C(=O)O	SCHEMBL15548795,PC-id_90025100	154.123	NBOCIBJMNZZRNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004181
c1c2OCCn2nc1C(=O)O	EMOLS-id_36832121,TIMTEC500893,PC-id_82595323,MCULE-7011089414,ZINC22_45930110,SCHEMBL21331023	154.123	VIJQAWCUVDTCAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004182
C1CNc2c1c(no2)C(=O)O	PC-id_136920747	154.123	YLANCCAEVVAVNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004183
C1CNc2noc(c12)C(=O)O	PC-id_137230942	154.123	OIEZZJJHKKSFSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004184
c1(C(=O)O)cnn2CCOc12	MCULE-7357837604,ZINC22_96029473,EMOLS-id_48672129,PC-id_83815408,SCHEMBL18418884	154.123	XPHNBRIOESOWQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004185
c1(C(=O)O)n[nH]c2OCCc12	MCULE-1524645399,EMOLS-id_44404417,PC-id_71433135,ZINC22_82842882	154.123	YCRWSEXDMMDFIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004186
C1Oc2c[nH]c(c2O1)C(=O)N	PC-id_90784786	154.123	RNNNSQQLFSWEJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004187
[nH]1c(C(=O)O)c2COCc2n1	EMOLS-id_49805915,MCULE-5623859446,SCHEMBL14555868,PC-id_44351665,BindingDB_PC-id_44351665,CHEMBL338071,ZINC22_27313841	154.123	VBEOEILKNBIXDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004188
o1c2C(NCc2nc1)C(=O)O	PC-id_82416726	154.123	RDQHFMQQRVWORZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004189
o1c2CNCc2nc1C(=O)O	PC-id_82595321	154.123	QRVZWLUSJXGZLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004190
o1c2NNCc2c(c1)C(=O)O	PC-id_45082089	154.123	RVVAIGLLPNBLQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004191
O1CCc2[nH]c(nc12)C(=O)O	PC-id_82416731	154.123	VWAPKGJNPPYANA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004192
O1CCn2c1nc(c2)C(=O)O	PC-id_82416732	154.123	RKRQJXURJSQIHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004193
O1CCn2c1ncc2C(=O)O	PC-id_82595322	154.123	CHRKPRPIHULYBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004194
O1C(Cn2c1ncc2)C(=O)O	PC-id_84038620	154.123	DTCFQKCMAAPRJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004195
O1CC(n2nccc12)C(=O)O	PC-id_84649888	154.123	KPWIDVVDYNQILX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004196
o1nc2C(CCc2n1)C(=O)O	PC-id_82416714	154.123	XHGXHZBZERAJGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004197
o1nc2c(CNC2)c1C(=O)O	PC-id_82595319	154.123	OLGBGFIJAHCPOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004198
o1nc(c2CNCc12)C(=O)O	PC-id_75355619	154.123	GKROWYPKJMYJHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004199
o1ncc2CNC(c12)C(=O)O	PC-id_82416729	154.123	BOJHHINPMZQPDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004200
o1nc(c2NCCc12)C(=O)O	PC-id_82416730	154.123	YJJGBWWJRSMNPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004201
o1ncc2NC(Cc12)C(=O)O	PC-id_82595320	154.123	JAIMBFVNORZHAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004202
O=C(O)c1n[nH]c2c1OCC2	CHEMBL503030,PC-id_135412913	154.123	OYBLGJJZUPBHEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004203
C1C(c2nccn2N1)[N+](=O)[O-]	PC-id_88437040,SCHEMBL9269981	154.127	AHVOGWQCLXTTQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004204
C1[C@@H](n2c(ccn2)N1)[N+](=O)[O-]	PC-id_136849002	154.127	NAKDBMYNDZBQQI-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004205
C1[C@H](n2c(ccn2)N1)[N+](=O)[O-]	PC-id_136849003	154.127	NAKDBMYNDZBQQI-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004206
C1C(n2c(ccn2)N1)[N+](=O)[O-]	SCHEMBL9269972,PC-id_136065093	154.127	NAKDBMYNDZBQQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004207
C1Cn2c(c(nn2)C(=O)O)N1	PC-id_136305544	154.127	SZMJFPFLIOKIGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004208
C1Cn2c(nc(n2)C(=O)O)N1	PC-id_136308600	154.127	DBVKOFCQGZFLCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004209
n1c2CCC(C(=O)O)n2nn1	SCHEMBL1155574,MCULE-8442422523,PC-id_66924480	154.127	IZDNRZDFXLAROF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004210
N(=O)(=O)c1c2n(CCN2)nc1	PC-id_135800727,SCHEMBL2523197,MCULE-1072861032	154.127	XHPWDMSOEGFMBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004211
O=c1n2n(c(=O)n1C)C=NC2	PC-id_71330252	154.127	JPNVYEPVLZSDCP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004212
[O-][N+](=O)N1CCc2n1ccn2	PC-id_117876187,SCHEMBL16470064	154.127	GMPYPDJQEZFGGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004213
O=Cc1n[nH]c2c1C(F)CC2	PC-id_105430032	154.142	HTVNRQMNLJPKEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004214
c12cscc1C(=O)OC2=O	MCULE-4142339313,PC-id_315608,LI_173699,CoCoCo_5551751,EMOLS-id_48673910,SCHEMBL632920,NSC241105	154.143	XQTUSPVIMZCNPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004215
O=C1c2sccc2C(=O)O1	NSC10055,CoCoCo_5299776,SCHEMBL698812,EMOLS-id_37153483,LI_90797,PC-id_222951,MCULE-5516594702,SPECS-id_AS-970/QB03663	154.143	FIDKFEIEZJGDBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004216
O=C1Nc2c(C1=O)scn2	PC-id_141759592	154.147	GNJKIOFMMPWTEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004217
O=C1NC(=O)c2c1nsc2	SCHEMBL9286226,PC-id_67817113	154.147	XUCBYAHOEVRGFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004218
O=C1NC(=O)c2c1scn2	PC-id_18442733,SCHEMBL4403929	154.147	OYKUMLNMYNHCHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004219
Cc1cn2CCC(c2n1)P	PC-id_91346979	154.149	WETODIDOFNFXHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004220
Cc1nn(C)c2NN[N+](=O)c12	ZINC22_334157335,PC-id_137156775	154.15	LCJNYVHIIUBCGZ-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-004221
C1c2c(ccs2)C(=O)N1[O-]	PC-id_88015797	154.166	NBRNFJMXVBBUHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004222
C1c2c(ccs2)C(=O)[N+]1=O	SCHEMBL6601740,PC-id_88015795	154.166	AFZWMNYYVGKIQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004223
C1Cc2cc(nn2C1)C(O)O	PC-id_134420999,SCHEMBL20053986	154.166	XRURKYUUBIWUCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004224
C1Cc2c(cnn2C1)C(O)O	PC-id_134421005,SCHEMBL20053992	154.166	KFAIPHKNFXVPGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004225
CCC1CCc2c1[n+]([O-])on2	SCHEMBL9307218,PC-id_18957958	154.166	RYDJAHDIMMQQBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004226
CCn1c2COCc2c(=O)[nH]1	PC-id_105430048	154.166	ADYIKBCJNPBKEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004227
o1c2C(CCc2[nH]c1=O)CN	PC-id_83872722	154.166	QKAMKWOHWNDNRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004228
o1c2c([nH]c1=O)C(CC2)CN	PC-id_83872725	154.166	SHCOXBLQXWJWRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004229
O1c2n(CC1)cc(n2)CCO	PC-id_83674231	154.166	IXPGIZLHCJRTDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004230
O1Cc2c(noc2C1)CCN	PC-id_83862154	154.166	ILVCFCWEYUYYLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004231
O1Cc2c(noc2CNC)C1	PC-id_83862420	154.166	WVLKYSLELKXURH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004232
O1Cc2c(onc2C1)CCN	PC-id_83862414	154.166	HSNFCNMMOQOMEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004233
O1Cc2c(onc2CNC)C1	PC-id_83862160	154.166	WZZAQWSTWJFPCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004234
O1CCn2c(CCO)cnc12	PC-id_83674338	154.166	VSFQOGPREMLMEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004235
o1nc2c(C(O)CC2)c1CN	PC-id_83863680	154.166	BVAOLEYLOWAUCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004236
o1ncc2C(N)(CCc12)CO	PC-id_83905138	154.166	XNKLURUAKCGSSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004237
o1nc(c2C(O)CCc12)CN	PC-id_83863527	154.166	CEDTZVCTZIJQJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004238
o1[nH]c2C(NCc2c1=O)CC	PC-id_83845619	154.166	UOTSZWPSJAZJQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004239
o1[nH]c2C(NCc2c1=O)(C)C	PC-id_83845621	154.166	FSBWEMKZOYEIMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004240
o1[nH]c2C(N(Cc2c1=O)C)C	PC-id_83845623	154.166	YTKXRYQZDAWDJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004241
o1[nH]c(=O)c2CCC(c12)CN	PC-id_82416698	154.166	ZQCIDPCNKHXTOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004242
o1[nH]c(=O)c2CC(Cc12)CN	PC-id_82416700	154.166	GGZCKTVFLTZZEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004243
o1[nH]c(=O)c2C(CCc12)CN	PC-id_82416702	154.166	LXENMTGQPMWSMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004244
OC1(CCc2oncc12)CN	PC-id_83905137	154.166	JFRPNYOPKWRSRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004245
c12COCc1nn(C)c2CO	EMOLS-id_317873654,MCULE-3650823186	154.167	BLAUSZKLJNWQMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004246
CC1(C)C[c-]2[n+](C1)noc2=O	SCHEMBL13118693,PC-id_59513425	154.167	WDTMJIQDYQTONL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004247
CCn1[nH]c2c(c1=O)COC2	PC-id_105430051	154.167	WRWFKADQQAKHTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004248
Cn1c(c2CNCc2c1O)O	PC-id_91499581	154.167	WJHSWKJQCUSAJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004249
COC1CCc2c1[nH][nH]c2=O	PC-id_90275159,SCHEMBL15867548	154.167	SODCEJDDKXHAHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004250
COCC1COc2ccnn12	PC-id_165370036,EMOLS-id_337734808	154.167	WFCLVTCQLXDUSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004251
o1c2CCC(NC)c2[nH]c1=O	PC-id_83872726	154.167	KVTHVLXDPGFHNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004252
o1c2C(NC)CCc2[nH]c1=O	PC-id_83872723	154.167	XTXWOWCJEWFIAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004253
O1c2n(nc(c2)CCO)CC1	PC-id_83674283	154.167	OQSCVQVVFZFKAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004254
O1c2n(ncc2CCO)CC1	PC-id_84731304	154.167	UIHMCEOYWWNCJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004255
o1[nH]c2c(C(N(C2)C)C)c1=O	PC-id_83845622	154.167	KOLIGNSPVIPYMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004256
C1Cn2c(nc(n2)CCO)N1	PC-id_137195167	154.17	LYGBLUQFTSHUDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004257
CCn1nc2n(c1=O)CCN2	PC-id_143848049	154.17	VKSCIGQZCYCWTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004258
CNCc1nn2c(n1)OCC2	PC-id_96734533	154.17	WYZRROLFWGLNMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004259
CNCc1nnc2n1CCO2	PC-id_96734558	154.17	VDOOCKYPCWEUMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004260
COc1nn2c(c1N)NCC2	PC-id_136380988,SCHEMBL692977	154.17	NMRVNOWWTVADIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004261
CON1CCn2c1c(N)cn2	PC-id_141299161	154.17	SDIRSTOGTYEPIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004262
Nc1n2CCCn2c(=O)c1N	PC-id_23104168,SCHEMBL181119	154.17	ZLOJSTQJEWRDGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004263
NCCN1Cc2c(C1)non2	PC-id_96734502	154.17	QFFHELKAEGILGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004264
O1CCn2c(nnc12)CCN	PC-id_82416650	154.17	FTXRMCXLQMGZLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004265
O1CCn2c(nnc12)C(N)C	PC-id_82416651	154.17	GZMRYKGTWXPFNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004266
O1CCn2nc(nc12)CCN	PC-id_82595395	154.17	ZHHHRQBUPDBNQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004267
O1CCn2nc(nc12)C(N)C	PC-id_82595394	154.17	LSMQENZNAXKBEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004268
ONCc1n2CCCc2nn1	PC-id_82651753	154.17	SGNAMCFKJGPJLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004269
ONCc1nn2CCCc2n1	PC-id_82595397	154.17	MVTZCTUXUQVCMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004270
CC1NNc2c(c(nn12)N)N	PC-id_136591952	154.173	KXBHMBCKCAKAMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004271
CN1Cc2c(ncn2N1N)N	PC-id_90879890	154.173	VZZKMJKBCFEJKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004272
CN1Cc2cnc(n2N1N)N	PC-id_91251761	154.173	ZRKYMNTXMJMODG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004273
CN1Cn2c(cnc2N1N)N	PC-id_91532976	154.173	ISSQDECYTUIOFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004274
CN1Cn2c(cnc2N)N1N	PC-id_91036666	154.173	RJTNWTPQVAASAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004275
CN1Cn2c(N1N)c(cn2)N	SCHEMBL5493750,PC-id_69462692	154.173	OTLWLQNAHBOGFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004276
CN1Cn2cnc(c2N1N)N	PC-id_90997997	154.173	DFRVXRWPBAGSCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004277
CC1Cc2c(C1)c(n(n2)F)C	PC-id_144959605	154.185	RTAYRSHBVZENOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004278
c12COCc1scc2C=O	EMOLS-id_331061293,MCULE-2566327392	154.186	FBELSBWXPSJZGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004279
Cc1csc2C(=O)OCc12	SCHEMBL2729715,MCULE-1421335652,PC-id_67516338	154.186	WETTXCBIHYKVBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004280
CC1OC(=O)c2c1ccs2	SCHEMBL2202822,PC-id_20712610	154.186	BSTMZCJYWAAKKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004281
CC1OC(=O)c2c1scc2	SCHEMBL2200394,PC-id_58478774	154.186	NNQQVJKANXADQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004282
CC=C1Oc2c(O1)csc2	PC-id_141069637	154.186	OVEMJTHTLAUEJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004283
OC1Cc2c(C1=O)ccs2	SCHEMBL3523755,PC-id_59511550	154.186	IDZUCYBAJNZKCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004284
O=C1CCc2c1s(=O)cc2	PC-id_140601550	154.186	ISBNGAVYNMRTQQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004285
O=Cc1cc2COCc2s1	PC-id_117836082,EMOLS-id_337929945,SCHEMBL16418538	154.186	NPFLNORNBGORMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004286
O=Cc1cc2c(s1)OCC2	PC-id_98012335	154.186	DHDNGARVVKIJSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004287
O=Cc1scc2c1COC2	PC-id_138958322,EMOLS-id_320439849	154.186	YYGORKKDSUROBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004288
O=Cc1scc2c1OCC2	PC-id_141738986	154.186	GUYXHYKPPQGDFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004289
O[C@H]1CC(=O)c2c1csc2	CoCoCo_5775672	154.186	KPPIJOJWKKAXMM-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-004290
O[C@@H]1CC(=O)c2c1csc2	NSC709150,CoCoCo_5775671	154.186	KPPIJOJWKKAXMM-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004291
s1c2c(C[C@@H](O)C2=O)cc1	PC-id_11147835	154.186	PSVSGUDRFRBVIS-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004292
s1c2c(C[C@H](O)C2=O)cc1	PC-id_11457801	154.186	PSVSGUDRFRBVIS-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004293
s1c2c(CC(O)C2=O)cc1	PC-id_45098384	154.186	PSVSGUDRFRBVIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004294
s1c2c(C(O)CC2=O)cc1	PC-id_11062595	154.186	IOTGPIHUHWUGJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004295
s1cc2CC(O)C(=O)c2c1	PC-id_82595411	154.186	XOMMVTUYUYLDDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004296
s1cc2C(O)CC(=O)c2c1	PC-id_398916	154.186	KPPIJOJWKKAXMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004297
c12SCCn1cc(C=O)n2	EMOLS-id_25585207,ZINC22_29753875,SCHEMBL925818,MCULE-8435102443,PC-id_11240604	154.19	JSUDYMLJEPHJCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004298
C1c2c(cnn2CS1)C=O	PC-id_91667225	154.19	HQKFRNPDXSNYSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004299
C1c2c(ncn2CS1)C=O	SCHEMBL9677452,PC-id_88498500	154.19	HQDKFCFGPMFZAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004300
C1c2cn(nc2CS1)C=O	PC-id_91438702	154.19	VCWSYKZRQPTHSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004301
C1CSc2n1c(C=O)cn2	SCHEMBL4031760,PC-id_21097254	154.19	QKARBSLWIQUCIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004302
C1Sc2n(C1C=O)ccn2	SCHEMBL8388246,PC-id_54310153	154.19	SKHVSKCFILWGDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004303
Cc1nc2c(s1)C(=O)NC2	SCHEMBL17032984,PC-id_118330359	154.19	JCRCDLSWRMEYIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004304
CN1Cc2c(C1=O)ncs2	PC-id_68167719,SCHEMBL11923829	154.19	RDFMSQACQVENHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004305
Nc1cc2c(s1)C(=O)NC2	PC-id_98774436	154.19	OFZCVCRGEDVUEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004306
Nc1nc2CCC(=O)c2s1	PC-id_11852658,MCULE-5493871861,ZINC22_36478417,EMOLS-id_313493883,SCHEMBL13125914	154.19	WWCOWASLMPTQDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004307
Nc1nc2C(=O)CCc2s1	EMOLS-id_313095644,ZINC22_1535538977,PC-id_136575785,MCULE-7929302960	154.19	VPTJZJAOMUHOOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004308
O=C1Cc2c(N1)sc(c2)N	PC-id_98774437	154.19	OMMUMPMXZJCAFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004309
O=Cc1cn2c(n1)CSC2	PC-id_21941487,SCHEMBL2927642	154.19	GDCOWMWYQRGIRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004310
O=Cc1cnn2c1SCC2	PC-id_21941446,SCHEMBL3546482	154.19	VOSUMVLOHPXYPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004311
O=Cc1nc2CNCc2s1	EMOLS-id_44474772	154.19	YGAVZCSXMGPALO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004312
O=Cc1nn2c(c1)CSC2	PC-id_21941419,SCHEMBL2929028	154.19	MZCSOYIOCUGVPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004313
O=Cc1nn2c(c1)SCC2	SCHEMBL3546366,PC-id_21941424	154.19	URLSDGMHUWQLDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004314
s1c2CC(=O)Nc2nc1C	PC-id_83872755	154.19	WQONLZDUAVQWSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004315
S1c2nc[nH]c2C(C1=O)C	PC-id_75412149	154.19	FVNAJHQLVCEJKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004316
S1Cc2c([nH]nc2C=O)C1	PC-id_83871719	154.19	IHUYMAMTYLYZMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004317
S1CCc2c1n[nH]c2C=O	PC-id_82416629	154.19	UECPMWBWKDFDCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004318
S1C(Cn2c1ncc2)C=O	PC-id_21218365	154.19	FTKVENSAXJKXGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004319
s1nc(c2NC(=O)Cc12)C	PC-id_83872754	154.19	RSIZMQBHLLUWGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004320
O=C1C[C@H](c2c1scc2)[NH3+]	PC-id_7062383,GD-id_ZINC03884502	154.21	YQMHSDHUZPPMDS-RXMQYKEDSA-O	00000010100000000000000010000000000000000000000000000000	25-01-004321
s1c2c([C@@H]([NH3+])CC2=O)cc1	PC-id_6993618	154.21	YQMHSDHUZPPMDS-YFKPBYRVSA-O	00000010100000000000000010000000000000000000000000000000	25-01-004322
s1c2c(C([NH3+])CC2=O)cc1	PC-id_3758818	154.21	YQMHSDHUZPPMDS-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-004323
c12CCCc1scc2CO	MCULE-3195347368,PC-id_28318282,ZINC22_19754902,EMOLS-id_50386619	154.229	XZUCMIGMWYUSID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004324
C1C(Cc2cscc12)CO	SCHEMBL14308893,PC-id_89301514	154.229	MUOYJOWNBGMBHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004325
CC1Cc2c(C1O)ccs2	SCHEMBL18708113	154.229	WYAOOIAJTAIACQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004326
Cc1cc2c(s1)CCC2O	EMOLS-id_114364315,PC-id_91430309,SCHEMBL19981716	154.229	JAWPWRKBOGZVAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004327
CC1C(Cc2c1ccs2)O	SCHEMBL13881329,PC-id_89192583	154.229	QAVUAVHAABOJEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004328
Cc1oc(c2c1SCC2)C	PC-id_13595303,SCHEMBL2081469	154.229	BZLYSXAGISNIGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004329
Cc1sc(c2c1COC2)C	SCHEMBL20892473,PC-id_138538620	154.229	IICNFLMSVMQGFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004330
Cc1sc(c2c1OCC2)C	PC-id_118028776,SCHEMBL16658995	154.229	ZCJJEWXWVYJYDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004331
CCc1occ2c1CCS2	PC-id_59760338,SCHEMBL2084438	154.229	ZYAJLFTYSNFPQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004332
CCC1OCc2c1scc2	PC-id_59760342,SCHEMBL2084075	154.229	AQNUAYADTUQFPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004333
CCc1occ2c1SCC2	SCHEMBL2083453,PC-id_13595306	154.229	WYBHVICAGIBHHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004334
COC1CCc2c1ccs2	PC-id_70136991,SCHEMBL7584752	154.229	PPIJRPSAHIANQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004335
OC1Cc2c([C@@H]1C)ccs2	SCHEMBL13881339	154.229	QAVUAVHAABOJEZ-DSEUIKHZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004336
OCc1cc2CCCc2s1	SCHEMBL3551196,MCULE-3690787717,PC-id_24213781,ZINC22_12336482,EMOLS-id_7639867	154.229	MOARKVWJFPIWFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004337
OCc1scc2c1CCC2	PC-id_138958334,EMOLS-id_320440356	154.229	JGHJBACHOQPZCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004338
O[C@@H]1Cc2c(C1C)ccs2	SCHEMBL13881165	154.229	QAVUAVHAABOJEZ-NQPNHJOESA-N	00000010100000000000000010000000000000000000000000000000	25-01-004339
O[C@@H]1Cc2c([C@@H]1C)ccs2	SCHEMBL13117935,PC-id_59511525	154.229	QAVUAVHAABOJEZ-CAHLUQPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004340
O[C@@H]1Cc2c([C@@H]1C)scc2	PC-id_59511523,SCHEMBL13117932	154.229	WEGLXHMLABURIS-IYSWYEEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004341
s1c2C(COc2cc1)(C)C	PC-id_21300184	154.229	GXFIMZWXKQWXPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004342
s1c2C(C(O)Cc2cc1)C	PC-id_72311083	154.229	WEGLXHMLABURIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004343
s1cc2C(COc2c1)(C)C	PC-id_21300183	154.229	OCEYEWJFSZWPKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004344
S1C(Cc2c1c(oc2)C)C	PC-id_13595305	154.229	GSPHFSNKIMLPHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004345
s1c(OC)c2CCCc2c1	PC-id_14316111	154.229	OHYUEWJYSTWKPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004346
c12CCCc1n[nH]c2SC	PC-id_45121368,EMOLS-id_81861863,MCULE-8266690981	154.233	QNYWBYUJLNDBJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004347
c12CNCc1scc2CN	EMOLS-id_331067178,MCULE-3945349413	154.233	IDDBCPNCFQROCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004348
c12CN(Cc1scc2N)C	MCULE-7739123953,EMOLS-id_330871110	154.233	DVYDMCWASAAMFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004349
c12CNC(C)c1sc(C)n2	MCULE-4327276672,PC-id_112481723	154.233	JCPZDEQIRIJWLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004350
c12CSCc1nn(CC)c2	EMOLS-id_324395863,MCULE-3265416086	154.233	UUNXSUPXDOTEAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004351
CC1(C)CSc2c1[nH]cn2	PC-id_69642570,SCHEMBL6031109	154.233	HELBTOKIMJNZEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004352
CC1CC(S)c2nccn12	MCULE-3043911203,EMOLS-id_97099473	154.233	WIKGIQPTYIOWAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004353
CC1(C)Sc2c(C1)[nH]cn2	PC-id_69642544,SCHEMBL6031023	154.233	HZVSACUITONGAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004354
Cc1nc2c(s1)CCC2N	SCHEMBL20083660,PC-id_83872766	154.233	MFSRMSSKMHOOGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004355
Cc1nc2c(s1)CCN2C	PC-id_89535385,SCHEMBL14907142	154.233	SDVNPVJDRPZWLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004356
Cc1nc2c(s1)N(CC2)C	PC-id_89535387,SCHEMBL14907144	154.233	NSXQNNMMCACMPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004357
Cc1nc(S)n2CCCc12	PC-id_134374046,EMOLS-id_320349371,MCULE-9383464879,SCHEMBL20002624	154.233	XWSOXWOLSMOFPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004358
Cc1nn2c(c1C)SCC2	SCHEMBL16920692,PC-id_118243961	154.233	CRNYVWWVXICXER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004359
Cc1nn2c(c1S)CCC2	PC-id_142909316	154.233	VFPZZDWWNXCJMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004360
Cc1nn(c2c1CCS2)C	PC-id_118243951,SCHEMBL16920681	154.233	RCFMISSBUYHPKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004361
Cc1nn(c2c1CSC2)C	PC-id_58425706,SCHEMBL12304116	154.233	WYCHGWVZRYWSJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004362
CCc1cn2CCSc2n1	PC-id_89048478,SCHEMBL13268068	154.233	IDVMCPQUGAZAJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004363
CCc1cn2c(n1)CSC2	SCHEMBL13455812,PC-id_89090336	154.233	BBGQIRQEIIZJLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004364
CCc1cnc2n1CCS2	PC-id_89060249,SCHEMBL13326795	154.233	YBWLJIUCOOWXKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004365
CCc1nn2c(c1)CSC2	SCHEMBL12655097,PC-id_68341472	154.233	KDSUKPFUKFGEHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004366
CCc1sc2c(n1)CNC2	SCHEMBL19941948,PC-id_83682035	154.233	HGNUYZMVIWTWQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004367
C[C@@H]1C[C@@H](c2c1nsn2)C	SCHEMBL10200764,PC-id_68062104	154.233	JIKYOAKJMGHPIK-SYDPRGILSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004368
C[C@@H]1C[C@@H](c2c1snn2)C	PC-id_68062107,SCHEMBL10200767	154.233	YOIRANZRGDEWIS-CRCLSJGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004369
C[C@@H]1[C@H](S)Cn2c1ncc2	PC-id_143030240	154.233	VMXIUVRZCGGYBA-PHDIDXHHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004370
CCN1Cc2c(C1)ncs2	SCHEMBL13354960,PC-id_89066022	154.233	CTSOZFQFOUFZKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004371
CN1Cc2c(C1)c(sc2)N	PC-id_141855191	154.233	ATDGREMACOTRNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004372
CN1Cc2c(C1)nc(s2)C	SCHEMBL9944712,PC-id_58386588	154.233	RBNXCLIBNDLKTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004373
Cn1nc2c(c1C)CCS2	PC-id_118243945,SCHEMBL16920674	154.233	SMIYDEWHYJXWDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004374
CNc1nc2CCCc2s1	MCULE-6540303952,PC-id_24688432,EMOLS-id_37401517	154.233	FUECFQROLLZGCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004375
CNc1[nH]cc2c1CCS2	PC-id_144387297	154.233	QTSGKPQZMUZRLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004376
CNc1snc2c1CCC2	PC-id_144261362	154.233	KTJDNWWNIMUEKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004377
CNN1Cc2c(C1)ccs2	PC-id_66881001,SCHEMBL11973942	154.233	UCULUQIZZCSXMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004378
CNN1CCc2c1csc2	PC-id_143122690	154.233	BHGHOQSEFUKYPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004379
CSc1c2CCCn2nc1	PC-id_137390569,SCHEMBL20621312	154.233	QZWHJVSOPWZYAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004380
CSC1Cn2c(C1)ncc2	SCHEMBL14190884,PC-id_59719038	154.233	MHVYKESSTHYXPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004381
CSc1nn2c(c1)CCC2	PC-id_134558779,SCHEMBL20207445	154.233	HWOVOCYZPPOWOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004382
n1c(CN)sc2CCCc12	PC-id_24261650,MCULE-7597869563,ZINC22_11631694,EMOLS-id_36503411	154.233	BBBLJXKIYXCATQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004383
Nc1nc2c(s1)CCC2C	SCHEMBL12877804,PC-id_65046696,EMOLS-id_40959106	154.233	YDOUVAFTSPGMNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004384
N=c1sc2c(n1C)CCC2	EMOLS-id_114364383	154.233	BLKMFZWSNGPHAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004385
NCC1CCc2c1ncs2	PC-id_82416516,EMOLS-id_96306074	154.233	FAPRGCAQCPJHEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004386
s1c2CCCc2cc1NN	PC-id_55281551	154.233	FYEGTRLLIYTMKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004387
s1c2C(CCc2nc1)CN	PC-id_83872767	154.233	FBUOKNFKWYQZLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004388
s1c2CCC(NC)c2nc1	PC-id_83872765	154.233	OMZVFURLDOFBSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004389
s1c2C(N)CCc2nc1C	PC-id_83872768	154.233	NBRFCJFEFKXDLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004390
s1c2C(NC)CCc2nc1	PC-id_83872769	154.233	YVNCTAUFOMRIHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004391
s1cc2N(CN(c2c1)C)C	PC-id_59979912	154.233	NFPVMJAWIRKTQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004392
S1Cc2[nH]c(cc2C1)CN	PC-id_84763537	154.233	BOMZYIAUJMWLEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004393
s1nc2CC(Cc2c1)CN	PC-id_82416510	154.233	DMZJNVDNTNTNHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004394
s1nc2C(CCc2c1)CN	PC-id_82416512	154.233	VTVBRXPZGMCRJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004395
s1nc2CCC(c2c1)CN	PC-id_82416513	154.233	XLTCVAKBVNUVJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004396
s1nc2C(CC(c2n1)C)C	PC-id_57697450	154.233	JIKYOAKJMGHPIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004397
s1ncc2CCC(c12)CN	PC-id_82416507	154.233	MIRVUKCZEGVVSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004398
s1nnc2C(CC(c12)C)C	PC-id_57697463	154.233	YOIRANZRGDEWIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004399
SC1CCn2c1c(nc2)C	PC-id_82416505	154.233	GPWGWGPTEQPECB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004400
SC1Cn2c(nc(c2)C)C1	PC-id_78061636	154.233	BLCSURGVSSQRMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004401
S(c1nc2n(CCC2)c1)C	PC-id_3080453	154.233	IAJNOLWBMLKERM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004402
SCc1cnc2CCCn12	EMOLS-id_265128482,MCULE-4331219324	154.233	ZSLOKGYYLUFQSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004403
SCc1n[nH]c2CCCc12	MCULE-7049450783,EMOLS-id_313868624	154.233	YVFHPLFJNGJPJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004404
S([C@@H]1Cn2c(ncc2)C1)C	PC-id_60116478	154.233	MHVYKESSTHYXPH-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-004405
S[C@@H]1Cn2c(nc(c2)C)C1	PC-id_71349341	154.233	BLCSURGVSSQRMY-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-004406
C=C1CSc2c1ccs2	PC-id_143392110	154.253	JGSGUXWNWNYZOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004407
[NH3+]Cc1sc2c(c1)CCC2	GD-id_ZINC19414556,PC-id_28165423	154.253	JFWMSCGNMHKOHT-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-004408
C1=CN2C=CS(=O)(=O)C2=C1	PC-id_154102822	155.004	OHWKVTFPHSLTLR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004409
C1C2=NN(C=C2C(=O)N1)S	PC-id_154988994	155.015	BHROJLCYIWNVRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004410
C1=NC2=C(O1)C(=C(C2O)O)O	PC-id_153835547	155.022	OIMZTWUFJZKXCW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004411
CC1=C2C(=C(N1)S)CCO2	PC-id_164101860	155.04	XPIBQLZJKUJDRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004412
CC1C2=CSC=C2C(N1)O	PC-id_164021728	155.04	VAAVLBHHAAMWTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004413
C1C2=C(C(=O)N1)N(N=C2)CF	PC-id_161656361	155.049	XAKOFDJZIBWAOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004414
CN1CC2=C(C1)SC(=N2)N	PC-id_154550385	155.052	JHCUBVGDRKUEEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004415
CC1(Cc2c(N1)oc(=O)o2)C	PC-id_163793570	155.058	MYWPTXBBDQPJSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004416
C1CN2C(=C(C(=O)N2C1)N)[NH3+]	PC-id_149525385	155.093	ZLOJSTQJEWRDGU-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004417
NC(=O)c1occ2c1OCO2	PC-id_141034659	155.108	UGARCZZBPCMVSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004418
O1c2c(OC1)cn(c2)C(=O)O	PC-id_23498061	155.108	ICTOCSNLXPLIOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004419
O1Cc2c(noc2C(=O)O)C1	PC-id_83862409	155.108	YZSFDWPZYAGOSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004420
O1Cc2c(onc2C(=O)O)C1	SCHEMBL16416046,PC-id_82416451	155.108	BAQZLOVQQMJPPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004421
O1CCc2c1noc2C(=O)O	PC-id_84013552	155.108	DEIXNUTYFQVMND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004422
O1CCc2onc(c12)C(=O)O	PC-id_82416456	155.108	DXJCMLMADSYCCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004423
OC(=O)c1noc2c1CCO2	PC-id_96734750	155.108	PJGBCWIXBOLZDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004424
ON1[C@@H](O)c2c(C1=O)cco2	PC-id_139470011,SCHEMBL21335942	155.108	YCYOCFFJMDSHOS-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-004425
O1CCn2c1nc([N+](=O)[O-])c2	PC-id_23081192,SCHEMBL1046316	155.111	QISRGAUYEHQMJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004426
O1C([N+](=O)[O-])Cn2c1ncc2	PC-id_67149253,SCHEMBL1754321	155.111	YFSMXBONKGAZGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004427
C1C(n2ccnc2O1)[N+](=O)[O-]	PC-id_91191111,SCHEMBL16495741	155.112	POAKFWFMBDBQID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004428
CN1Cc2c(C1=O)no[n+]2[O-]	SCHEMBL9306974,PC-id_18957950	155.112	GWHIFZYQNAQAFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004429
O1CCn2c1nnc2C(=O)O	PC-id_82595520	155.112	BGGIIHMJBLDDFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004430
O1CCn2nc(nc12)C(=O)O	PC-id_82595519	155.112	AHJJVXJTCVMGJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004431
O=[N+]([O-])c1cnc2n1CCO2	CHEMBL348387,PC-id_191913	155.112	CYWFJXPMXFMCOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004432
[O-][N+](=O)c1cnn2c1OCC2	PC-id_122678097,SCHEMBL18215091	155.112	LHSYJDASXCGFHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004433
C1Cn2c(c(nn2)[N+](=O)[O-])N1	PC-id_136305538	155.115	GUHVOBOZYIIYHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004434
C1Cn2c(nc(n2)[N+](=O)[O-])N1	PC-id_136350694	155.115	ZPYKVIBAAFZYAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004435
O=Cc1noc2c1CCC2F	PC-id_105430202	155.126	ALTHDVZNILOPIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004436
O=Cc1noc2c1C(F)CC2	PC-id_105430204	155.126	LHEWMECLRGIZFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004437
O=Cc1nn2c(n1)[C@@H](CC2)F	PC-id_142514992	155.13	NOAFHRYBECMMOA-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004438
O=C1OC(=O)c2c1scn2	SCHEMBL7851288,PC-id_14823563	155.131	VYHNLJMFUTWNMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004439
s1nc2c(C(=O)OC2=O)c1	PC-id_54381428	155.131	VAEMPKRGVUWZCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004440
s1ncc2c1C(=O)OC2=O	PC-id_54470952	155.131	XIIAQOQVDKKANL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004441
OC(=O)C1[n+]2[nH]nnc2CC1	PC-id_57907457	155.135	IZDNRZDFXLAROF-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004442
s1c2c([nH]c1=O)N=NC2=O	PC-id_76039241	155.135	MMEMLVYMQROPCC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004443
Cc1nn2c(n1)CCC2P	PC-id_143214166	155.137	MAYNCNVDKLDEFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004444
PC1Cn2c(C1)nc(n2)C	PC-id_143214164	155.137	GIHRSNUJPOPNJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004445
C1c2c(CN1)[nH]nc2C(O)O	PC-id_91394903	155.155	LJIGIWVATUMBCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004446
C1C(Cn2c1c([nH]c2=O)O)N	PC-id_90885784	155.155	IZSIJMCZUPOYCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004447
CCn1nc(c2c1OCO2)N	PC-id_96635194	155.155	VLJBFLHGVBNOIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004448
n12CC(Cn1c(=O)cc2N)O	MCULE-4523117397	155.155	GFOKHVOTLQADHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004449
NC1Oc2c(N1C)oc(c2)N	SCHEMBL5039886,PC-id_69289714	155.155	LGMVMYBBYHGVHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004450
o1c2CC(N(O)c2cc1)(N)N	PC-id_69341438,SCHEMBL5174037	155.155	QUXDFAWEKAHIAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004451
O1c2n(nc(c2)CNO)CC1	PC-id_82595550	155.155	QRPMVUNEGRALCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004452
O1CCn2nc(nc12)CCO	PC-id_83674269	155.155	DWKZRYCOYIJKEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004453
Oc1n2n(CCC2)c(=O)c1N	PC-id_45083110	155.155	IDJGYOKQEYKWAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004454
O=c1n2n(CCC2)c(=O)n1C	PC-id_20591271	155.155	RVGOSCKKRJQESY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004455
OCC1N[C@@H](c2c1[nH]nc2)O	PC-id_145523832	155.155	AOGJRHRRGNQTQT-BAFYGKSASA-N	00000010100000000001000010000000000000000000000000000000	25-01-004456
FC1(CCc2occc12)CN	PC-id_84020970	155.17	AQJONRQASQYLOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004457
C[C@@H]1C[C@@H](c2c1c(N)n[nH]2)F	PC-id_68242632,SCHEMBL12323881	155.173	ZQHQQDFZOZOIFR-DMTCNVIQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004458
C[C@H]1NC(c2c1c[nH]n2)CF	SCHEMBL12326954,PC-id_68244187	155.173	PSIBUVGIZJNXTF-NJXYFUOMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004459
FC1CCc2c1c(N)nn2C	PC-id_105430245	155.173	MELMRJYJAUGAKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004460
FC1CCc2c1n(C)nc2N	PC-id_105430242	155.173	QIIQDYVDWIRLQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004461
FC1CC(c2c1[nH]nc2N)C	PC-id_77434296	155.173	ZQHQQDFZOZOIFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004462
FCC1NC(c2c1[nH]nc2)C	PC-id_77434779	155.173	PSIBUVGIZJNXTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004463
Nc1n[nH]c2c1C(C)(F)CC2	PC-id_105430246	155.173	JQQSTGNXIRHVOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004464
NCc1n[nH]c2c1C(F)CC2	PC-id_105430247	155.173	CMVFIPQMULLKBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004465
C1c2c(ccs2)C(=O)[NH+]1[O-]	PC-id_88015796,SCHEMBL6601745	155.174	XPEQXJYMHKQTAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004466
o1[nH][n+]2CC(Cc2c1=O)(C)C	PC-id_59513426	155.174	WDTMJIQDYQTONL-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004467
O=C1Nc2c(C1O)scc2	EMOLS-id_41902998,PC-id_66353919	155.174	RIGOVZPQFJUXFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004468
O=S1(=O)C=Cc2c1cc[nH]2	SCHEMBL163713,PC-id_66610514	155.174	ZJPJKWKGMKYBJG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004469
O=S1(=O)C=Cc2c1c[nH]c2	PC-id_122522053,SCHEMBL18055688	155.174	VFFSVQFVDZYSPH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004470
s1c2c([nH]c1=O)CCC2=O	PC-id_83680995	155.174	IYLOCVIJVZKKLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004471
S1Cc2c(noc2C=O)C1	PC-id_83871716	155.174	SJMQJXUGMGZQHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004472
S1Cc2c(onc2C=O)C1	PC-id_83871772	155.174	FZHXJDUXKQYAFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004473
s1c(=O)n2c(CC(=O)C2)c1	PC-id_83668845	155.174	MWLFQEQJCAVTDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004474
CN1Cc2c(C1=O)snn2	SCHEMBL8243759,PC-id_70316575	155.178	HGKSHTASJHVAPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004475
Nc1sc2c(n1)C(=O)NC2	PC-id_117274001	155.178	AZULJQBHXXBPRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004476
s1c2CC(=O)Nc2nc1N	PC-id_83872788	155.178	RMCSOHFPJAQZPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004477
s1c2c(nc1N)CNC2=O	PC-id_52988177	155.178	MSOHEQMMWFVWSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004478
S1c2n(C(=O)C1)c(nn2)C	PC-id_18891892	155.178	RNBZIKSEMFRECW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004479
s1c2NC(=O)Cc2nc1N	PC-id_83872789	155.178	LRWVYYZTULQFCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004480
S1c2n(nc(n2)C)C(=O)C1	PC-id_82357915	155.178	USNFBXQBLMXVRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004481
S1(=C)c2n(O)nnc2C=C1	PC-id_18737167	155.178	LKZJCTQQSLNAPK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004482
S1CCn2c1nnc2C=O	PC-id_82416393	155.178	MAYANMDPVKLOES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004483
S1CCn2nc(nc12)C=O	PC-id_83479776	155.178	VUKNSUQQSHNKTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004484
n12N=C(Cc1nnc2S)N	PC-id_45121290,MCULE-4849854789,ZINC22_39133812	155.181	HBHORAAWQZOXQX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004485
s1c2=N[C@](O)(C=[n+]2cc1)C	PC-id_2333003	155.198	AYLSCAUOGRZACS-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004486
s1c2=N[C@@](O)(C=[n+]2cc1)C	PC-id_2333004	155.198	AYLSCAUOGRZACS-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-004487
s1c2=NC(O)(C=[n+]2cc1)C	PC-id_4829339	155.198	AYLSCAUOGRZACS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004488
c12CNCc1scc2CO	EMOLS-id_331066922,MCULE-2400091442	155.217	JUKWASIYKDLODP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004489
c12COCc1scc2CN	PC-id_82416299,MCULE-4189443025,EMOLS-id_331061805	155.217	OJESXOGMLWQBIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004490
Cc1cc2c(s1)C(NC2)O	PC-id_139307711,SCHEMBL21152524	155.217	HBXMXSZLIMUOGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004491
CC1CCc2c1[nH]c(=S)o2	EMOLS-id_97124944,PC-id_106799142	155.217	QYIFGPPOGSRNSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004492
CC1OCc2c1c(N)cs2	EMOLS-id_96284390,PC-id_114749308	155.217	VZZYFRCPQHZAKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004493
Cc1oc(c2c1SCC2)N	PC-id_143282730	155.217	SASGLUBHLIDHRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004494
Cn1c2c(sc1=O)CCC2	CoCoCo_5326912,PC-id_232429,ZINC22_1656003,NSC29851	155.217	RTAMLVYLICXSPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004495
Cn1c(=O)c2c(CCC2)s1	EMOLS-id_114366690,PC-id_158190,SCHEMBL124057,MCULE-8347769547	155.217	PZOGAKOZVSTZSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004496
n1c(CO)sc2CCCc12	PC-id_46784913,MCULE-4662267852,SCHEMBL9044057	155.217	SZZOEQGINGJTBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004497
NCc1cc2c(s1)OCC2	PC-id_97703004	155.217	SZTNVYBXQFRHGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004498
N[C@@H]1C[C@H](c2c1ccs2)O	PC-id_96635059	155.217	RLFTYVAWELLNNS-PHDIDXHHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004499
N[C@H]1C[C@H](c2c1ccs2)O	PC-id_96635060	155.217	RLFTYVAWELLNNS-NTSWFWBYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004500
OC1Cc2c(C1N)ccs2	SCHEMBL3523506,PC-id_59511559	155.217	HGGLFOUMEHWCGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004501
O=c1sn2c(c1C)CCC2	PC-id_67593439,SCHEMBL8470004	155.217	WFUAPSUGZSAHOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004502
O[C@@H]1Cc2c([C@@H]1N)ccs2	PC-id_14932905,SCHEMBL3529213	155.217	HGGLFOUMEHWCGP-VDTYLAMSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004503
O[C@H]1Cc2c([C@H]1N)ccs2	PC-id_59511560,SCHEMBL3529215	155.217	HGGLFOUMEHWCGP-CAHLUQPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004504
s1c2CCCc2nc1OC	PC-id_71434742	155.217	KOPFCRFTVBIYQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004505
s1c2[C@H](N)[C@H](O)Cc2cc1	PC-id_11332586	155.217	SWMCXUWQNRFDPQ-PHDIDXHHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004506
s1c2[C@@H](N)[C@H](O)Cc2cc1	PC-id_11344135	155.217	SWMCXUWQNRFDPQ-RITPCOANSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004507
s1c2[C@H](N)[C@@H](O)Cc2cc1	PC-id_21578626	155.217	SWMCXUWQNRFDPQ-NTSWFWBYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004508
s1c2C(N)CC(O)c2cc1	PC-id_84049397	155.217	VJFPLMLOLVRUFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004509
s1c2C(N)C(O)Cc2cc1	PC-id_72805236	155.217	SWMCXUWQNRFDPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004510
s1c2C(O)CC(N)c2cc1	PC-id_82416301	155.217	RLFTYVAWELLNNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004511
S1Cc2c(oc(c2)CN)C1	PC-id_84763639	155.217	VVALMSWHSBNBOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004512
S1C(c2nocc2C1)(C)C	PC-id_14172215	155.217	YYYATASIPWAQAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004513
S1C(OC)Cn2c1ccc2	PC-id_13331019	155.217	FIQUUIBVDIFFBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004514
S(c1onc2CCCc12)C	PC-id_83871887	155.217	SJSCNEGYPUJJHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004515
SCc1noc2CCCc12	MCULE-1291711613,EMOLS-id_259607202	155.217	FJNZCCNMNLQWCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004516
c12CCSc1[nH]nc2CN	PC-id_96735134,MCULE-6655214020	155.221	BXGMPZAWMMNALB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004517
c12CSCc1nn(C)c2N	ZINC22_39136870,MCULE-6392941593,EMOLS-id_32355395,STOCK7S-22035,PC-id_45121297	155.221	KGKMOASZDHGIJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004518
c12SCCn1cc(CN)n2	EMOLS-id_4764817,PC-id_7061891,SCHEMBL1365426,MCULE-9598037287,ZINC22_3883058	155.221	LAZCCHCRSVJWPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004519
C1c2nc(cn2CS1)CN	SCHEMBL15486307,PC-id_89978911	155.221	DWCZKLMEWIUVBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004520
c1(C)nnc2n1CC(C)S2	EMOLS-id_7659087,MCULE-7212615036,TIMTEC371904,PC-id_17380329,SPECS-id_AN-153/I219649	155.221	PAPUMJVPYPMRSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004521
Cc1nc2c(s1)CN(C2)N	PC-id_89009727,SCHEMBL13068419	155.221	NQZBCFWJDRPJPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004522
Cc1nc2n(c1N)CCS2	PC-id_96635052	155.221	PKSXNEHAHDXWOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004523
Cc1nnc2n1C[C@@H](C)S2	PC-id_27089083,ZINC22_16363451	155.221	PAPUMJVPYPMRSK-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004524
Cc1nnc2n1C[C@H](C)S2	ZINC22_16363452,PC-id_27089084	155.221	PAPUMJVPYPMRSK-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004525
CC1NSc2c1n[nH]c2C	PC-id_144206142	155.221	VBQHVGNOJRXIFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004526
CCC1SNc2n1ccn2	PC-id_140352639	155.221	SBCXDIBOFOWXKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004527
C[C@@H]1SCc2c1c(N)n[nH]2	SCHEMBL12167900,PC-id_68204404	155.221	NUOBNELAVQIQEQ-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-004528
CN1CCc2c1nc(s2)N	SCHEMBL13455881,PC-id_89090373	155.221	AVTCVMWQPXLKMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004529
CNc1[nH]nc2c1CSC2	PC-id_83871365,SCHEMBL18366307	155.221	MMKQKYCZRRVGKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004530
CSc1nn2c(c1)NCC2	PC-id_138744764,SCHEMBL21126215	155.221	VOHPTGGCZGHCAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004531
CSc1n[nH]c2c1CCN2	PC-id_136262376	155.221	DLGUVTYPNDCCAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004532
CSN1Cc2c(C1)cn[nH]2	SCHEMBL19941937,PC-id_134320286	155.221	HPNFTOYXIFCZCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004533
CSn1nc2c(c1)CNC2	PC-id_144922865	155.221	XWNLUJRGAHALBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004534
n12CCCc1nnc2CS	EMOLS-id_50075318,MCULE-2425819429,PC-id_66489699	155.221	CVTYGZZWAYTLAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004535
N(c1nc2CCCc2s1)N	EMOLS-id_30078256,ZINC22_7881333,PC-id_9003914,MCULE-7956347038	155.221	VWBIUOCADPUWNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004536
N=c1sc2c(n1N)CCC2	SCHEMBL4427680,PC-id_69039679	155.221	IDHULAWZFIUNAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004537
NCc1cnc2SCCn12	EMOLS-id_259552871,PC-id_82595709,MCULE-7961149297	155.221	XAPJCDOBECGJJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004538
s1c2CCC(N)c2nc1N	PC-id_83872831	155.221	PEMMGDIUQBNPPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004539
s1c2CNCc2nc1NC	PC-id_15231194	155.221	PXIOWCUXKBVAAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004540
s1c2C(NCc2nc1N)C	PC-id_83815469	155.221	KAYIEWLMMRGSPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004541
s1c2C(N)CCc2nc1N	PC-id_83872832	155.221	JCPSAXIRRBEWMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004542
S1c2n(nc(c2)CN)CC1	PC-id_82651878	155.221	WCXDKKKKOHYWDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004543
S1Cc2c([nH]nc2CN)C1	PC-id_83871368	155.221	OJCKVCPLQZNZNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004544
S1C(c2c([nH]nc2N)C1)C	PC-id_77424490	155.221	NUOBNELAVQIQEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004545
S1Cc2n(nc(N)c2C1)C	PC-id_83680002	155.221	QMNRATHCIJNWQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004546
S1CC(n2nc(nc12)C)C	PC-id_71408240	155.221	RDCOAHTVQCYVGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004547
s1nc2n(CCC2)/c/1=N/C	PC-id_5323972	155.221	BXHUDWPGNVAFJL-SREVYHEPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004548
s1nnc2C(CCc12)CN	PC-id_83872837	155.221	IHIADKAMUVZCOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004549
s1nnc2CCC(c12)CN	PC-id_83872839	155.221	SVGKVBYFVVPLBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004550
s1nnc2CCC(NC)c12	PC-id_83872840	155.221	DABWIQLPABYVQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004551
s1nnc2C(NC)CCc12	PC-id_83872838	155.221	AONBYLAQPCBYDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004552
S(c1n[nH]c2c1CNC2)C	PC-id_83871786	155.221	KURBBHLOFSZNKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004553
S=c1sc2c([nH]1)C=CC2	PC-id_139707845	155.241	FMLBVGNJDXIVDU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004554
ClC1c2n(C(=O)C1)ccc2	PC-id_10607001	155.582	KYJOZURXLUEOHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004555
Clc1n2CCC(=O)c2cc1	PC-id_84650292	155.582	XJKREIMYCXJYAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004556
Clc1[nH]cc2c1CCC2=O	PC-id_83905215	155.582	PSMFYDLGQHPJJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004557
Cc1nn2c(c1Cl)N=CC2	SCHEMBL2271277,PC-id_67342430	155.585	JWPSNMKTFHEPPH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004558
[B]c1c2c(c([nH]1)O)C(=NC2=O)[B]	PC-id_135963041	155.714	IZZPMBOSPDJZKK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004559
o1c2c(oc1=O)C(=O)OC2=O	PC-id_53438581	156.05	FZPGRYNZFKHGFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004560
C1[C@@H](CN2C1=CC(=N2)CO)F	EMOLS-id_337164244,PC-id_162349467	156.07	UCOFMRYUXXUISU-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004561
OC(=O)c1oc2c(c1)OCO2	PC-id_141344129	156.093	QGPWKURLJAKZQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004562
OC(=O)c1occ2c1OCO2	PC-id_139904541	156.093	UQSYSQVRMUKPTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004563
c1nc2c([nH]1)NC(O2)[N+](=O)[O-]	PC-id_89612421,SCHEMBL15008196	156.1	ARGDPMDFSKQVJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004564
C1Nc2c(O1)n(cn2)[N+](=O)[O-]	PC-id_89457413,SCHEMBL14802096	156.1	JPVWMQIMUQBBTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004565
O1CCn2nc(nc12)[N+](=O)[O-]	PC-id_12216783	156.1	RVGGSAFVQZTAFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004566
c12nnnn1CCN2N(=O)=O	MCULE-1957608153,PC-id_12159623,CT-id_4021471,4021471_OpenMolecule	156.103	FRPKRTDWHLMWOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004567
CC1OC(c2c1[n+]([O-])on2)C	SCHEMBL9305411,PC-id_18957969	156.139	IHJWYNGHLHZVTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004568
CON1C(N)Oc2c1occ2	SCHEMBL5039693,PC-id_69289620	156.139	RITSBMRGANPBAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004569
O1C(n2c(C1)c(O)[nH]c2=O)C	PC-id_54022371	156.139	KZVICQBGOGXQSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004570
OC1n2cncc2CC1(O)O	PC-id_145116176	156.139	KWHORLADSBNMLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004571
O1CCn2nc(nc12)CNO	PC-id_82595769	156.143	DKHQUCMLASXDCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004572
Nc1noc2c1C(C)(F)CC2	PC-id_105430457	156.158	CUOXMXCWSBJVOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004573
NCc1noc2c1CCC2F	PC-id_105430459	156.158	LCTBXEFXBFDYKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004574
NCc1noc2c1C(F)CC2	PC-id_105430458	156.158	POJDSTIDTALFOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004575
OCc1n[nH]c2c1C(F)CC2	PC-id_105430463	156.158	BRZXBYRATLDXQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004576
c1csc2c1C(OC2=O)O	SCHEMBL20436821,PC-id_135273076	156.159	AKVLMSBZWBQJPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004577
OC1OC(=O)c2c1scc2	SCHEMBL19333900	156.159	YKKDGNKWSOXRBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004578
O=Cc1csc2c1OCO2	PC-id_96634939	156.159	VGRJHLQIMCQAIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004579
O=Cc1sc2c(c1)OCO2	SCHEMBL16888732,PC-id_96634940	156.159	HJSYBXOLKQGZTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004580
O=Cc1scc2c1OCO2	PC-id_96634941	156.159	YVWCKZBVPAGBHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004581
S1(=O)(=O)c2n(C=C1)ccn2	PC-id_20222362	156.162	YPTXUUBZJWDGQS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004582
C1C(=O)n2c(n[nH]c2=S)N1	PC-id_137197646	156.166	BFMMMFFVASPOGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004583
S1c2n(nc(n2)N)C(=O)C1	PC-id_84048501	156.166	CFDPJIZPDDPIAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004584
c12COCc1scc2CO	MCULE-7924689516,EMOLS-id_331061549	156.202	GNPLEPIZEUJVFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004585
CC1Oc2c(O1)c(sc2)C	PC-id_141538480	156.202	HEWAVAXMMMHXEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004586
Cc1sc(c2c1OCO2)C	PC-id_21339865,SCHEMBL733661	156.202	NNOFCGFKHMESBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004587
CCC1Oc2c(O1)csc2	PC-id_18995515,SCHEMBL8996875	156.202	NJYCFGLIBHOEMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004588
COc1sc2c(c1)COC2	SCHEMBL17828246,PC-id_121401244	156.202	YVXFYBRCVBJKSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004589
OCc1sc2c(c1)COC2	PC-id_117836084,SCHEMBL16418540	156.202	DXRVGMVZIBVRFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004590
OCc1scc2c1COC2	PC-id_138958323,EMOLS-id_320440360	156.202	CULUWOKHUSDRLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004591
OCc1scc2c1OCC2	PC-id_141738918	156.202	LUHUKTAMHJBJBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004592
c12CSCc1onc2NC	PC-id_112711759,MCULE-9585114438	156.206	WRVAZRUZLBFZIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004593
C1Cc2c(C1)n(c(=S)[nH]2)O	SCHEMBL20631112,PC-id_137399478	156.206	XJBVFUKLJOKEKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004594
C1Cc2cc(=O)n(n2C1)S	PC-id_137437413,SCHEMBL20674269	156.206	WEKLDKICKMAPQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004595
C1Cc2c([nH]c(=S)n2C1)O	PC-id_91376769	156.206	HBVRUKQXHYIJCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004596
C(c1nc2c(CNC2)s1)O	PC-id_118991671,MCULE-3523401477,EMOLS-id_71008905	156.206	ZVYRHHZOUDHERY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004597
COc1n[nH]c2c1CSC2	SCHEMBL20631131,PC-id_45121303	156.206	JJDNFGFLIJHUGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004598
CSc1nn2c(c1)OCC2	SCHEMBL19441927	156.206	QHTPBEGLZXSPPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004599
CSc1noc2c1CCN2	PC-id_137122589	156.206	RIFMQAQAVZWNHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004600
Oc1ncn2c1CC(C2)S	PC-id_19978605,SCHEMBL9200795	156.206	JPDSCHWZDQWHAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004601
Oc1ncn2c1C[C@H](C2)S	PC-id_98090047	156.206	JPDSCHWZDQWHAA-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004602
Oc1ncn2c1C[C@@H](C2)S	PC-id_98090049	156.206	JPDSCHWZDQWHAA-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004603
Oc1n(C)nc2c1CSC2	EMOLS-id_81854734	156.206	HRNRQNBWSAAADF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004604
O=c1n(C)[nH]c2c1CSC2	PC-id_12766047,SCHEMBL15867494	156.206	GIFBLEUPBRTXIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004605
OCc1cn2c(n1)SCC2	SCHEMBL7181038,PC-id_18183082	156.206	FWBIYAGTSVERQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004606
OCc1cnc2SCCn12	EMOLS-id_259552868,MCULE-2304041284	156.206	LECJYNGGRFQKAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004607
OCc1cnn2c1SCC2	SCHEMBL3547013,PC-id_68685067	156.206	IBLJFXGCRZFXHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004608
OCc1nn2c(c1)CSC2	PC-id_21941435,SCHEMBL2921262	156.206	ZGNPNZPUBIEHFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004609
OCc1nn2c(c1)SCC2	SCHEMBL3549429,PC-id_45121279	156.206	OSPJKLWGGPWJEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004610
s1c2CCCc2n(O)c1=N	PC-id_587462	156.206	WLQKCALWPCEPQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004611
s1c2CCC(N)c2[nH]c1=O	PC-id_83872868	156.206	HRPIOIUZHCMANR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004612
s1c2CCOc2nc1CN	PC-id_83669666	156.206	JCXWCZZHVWYCJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004613
s1c2C(N)CCc2[nH]c1=O	PC-id_83872869	156.206	ZGVNCVNXUOGKPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004614
S1Cc2c(noc2CN)C1	PC-id_83871465	156.206	KDRYFUNUIDVOSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004615
S1Cc2c(noc2NC)C1	PC-id_83871461	156.206	NTYLRFFMCYAMFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004616
S1Cc2c(onc2CN)C1	PC-id_82416116	156.206	UFWGPIQUXSBXHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004617
S1C(c2[nH]c(=O)[nH]c2C1)C	PC-id_45120641	156.206	TXUCOLMHMUHABH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004618
S1C(c2[nH][nH]c(=O)c2C1)C	PC-id_83845701	156.206	CWWWBEOWCOYHTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004619
S1Cc2n([nH]c(=O)c2C1)C	PC-id_83845703	156.206	TVLZOPQDNMNLNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004620
S1C(N)C(O)c2c1c[nH]c2	PC-id_82416108	156.206	VRBJEPNVVKXQKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004621
s1c(=O)n2CC(N)Cc2c1	PC-id_83668844	156.206	UJEGHCHIJXZODR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004622
S(c1onc2c1CNC2)C	PC-id_83871783	156.206	NMNRDCLCZOOSFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004623
S=c1o[nH]c2CN(Cc12)C	PC-id_84021032	156.206	RWNDNSRNJVJHFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004624
C1Nn2c(cnc2S1)CN	PC-id_89156122,SCHEMBL13727565	156.209	NQAPLJVFSUFGPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004625
CNC1Nc2ccnn2S1	PC-id_137197458	156.209	XACWBSQBCGGMIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004626
CNc1nnc2n1CCS2	PC-id_144507848	156.209	WHNUMNHOVLTETE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004627
NCc1nnc2n1CCS2	ZINC22_82845470,PC-id_82595859	156.209	YICVVNGPPBNWDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004628
S1CCn2nc(nc12)CN	PC-id_82595858	156.209	MTFTWYJMEXDLJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004629
SC1CCn2c1nnc2N	PC-id_19978623	156.209	YVRBCQXKUPPZIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004630
SC1Cn2c(nnc2N)C1	PC-id_19978577	156.209	OERYNYAOSHQNEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004631
S=c1n(N)c2NCCc2[nH]1	PC-id_82416107	156.209	BZVIYWWLAOKCHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004632
CC1CCc2c1scc2F	SCHEMBL13844976,PC-id_89185915	156.22	FTYYNGLLMSCKRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004633
C1Sc2c(C1=O)ccs2	PC-id_143087152	156.225	JXPDQUBCAVLFMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004634
O=C1CSc2c1scc2	SCHEMBL6995866,PC-id_22461363	156.225	BMUFUZOSQUXCTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004635
O=c1sc2c(s1)CC=C2	PC-id_101356389	156.225	MZJNVGMVJPDYMP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004636
S1c2c(C(=O)C1)csc2	PC-id_82416101	156.225	NYSQKCBNDBELLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004637
S1c2c(scc2)CC1=O	PC-id_12240162	156.225	FCXJXECWXZAPKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004638
S1Cc2c(C1=O)csc2	PC-id_9989467	156.225	CFARTPNWAHALCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004639
S1Cc2c(scc2)C1=O	PC-id_10374674	156.225	CQNGFTSKMJYTKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004640
S1Cc2sccc2C1=O	PC-id_10241050	156.225	XWJWFBFQEVMEIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004641
C[C]1c2c([CH]S1)nsn2	SCHEMBL13973970,PC-id_89215377	156.229	MHLGDOPBRCXESK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004642
CS[n+]1cn2c(n1)CCC2	SCHEMBL873064,PC-id_66824688	156.229	SQMCIDCQIGJZIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004643
[NH3+]Cc1cn2c(n1)SCC2	GD-id_ZINC03883058,PC-id_7061890	156.229	LAZCCHCRSVJWPT-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004644
s1c2[n+](CCN2)c(CN)c1	PC-id_52376220,GD-id_ZINC11850541	156.229	KLSGPRPKBJAGET-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004645
SC1Cc2n(nc[n+]2C)C1	PC-id_10380365	156.229	PHKAPMQDLQUNKX-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004646
SC1CC[n+]2c1n(nc2)C	PC-id_11722626	156.229	GGLANNRILJTKHL-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004647
SC1CCn2[n+](cnc12)C	PC-id_10470341	156.229	VNNMUUZIDLKSNZ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004648
S(C1C[n+]2n(C1)cnc2)C	PC-id_20766413	156.229	MONNONAJRMNADQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004649
s1c2CCCc2nc1[S-]	PC-id_51980232	156.249	PLOKMYNAYRKCND-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-004650
CC1Cc2ccsc2S1	EMOLS-id_29242,PC-id_12509772	156.268	PPMDUHYQACWPFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004651
Cc1cc2c(s1)CCS2	PC-id_85876857,SCHEMBL13512413	156.268	XJOQSDRNCFYPAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004652
Cc1sc2c(c1)CSC2	PC-id_58027904,SCHEMBL4547875	156.268	VBJKHGRAYXROQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004653
CC1Sc2c(C1)scc2	PC-id_12509784,SCHEMBL12841552	156.268	KENZNWZFLIWBQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004654
S1CCc2c1sc(c2)C	PC-id_20632739	156.268	JILLVQALXMPNDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004655
Sc1cc2CCCc2s1	EMOLS-id_313875014,MCULE-8576239848	156.268	JNVIVKCSBRGDBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004656
Clc1oc2c(CCC2=O)c1	PC-id_83905240	156.566	NSDOYBYORXPXKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004657
Clc1oc2CCC(=O)c2c1	PC-id_83905241	156.566	HGPBLNNBSNGGFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004658
C1c2c[nH]c(c2NC1=O)Cl	SCHEMBL13275966,PC-id_89051521	156.57	QCHNIQNIOJRBAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004659
c12CCCc1nn(C)c2Cl	EMOLS-id_41629936,PC-id_20798657,MCULE-9601342426	156.613	UJWVHWVKEVMFQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004660
c12C(C)CCc1n[nH]c2Cl	MCULE-7254602867,EMOLS-id_330963121	156.613	FGJJMUJZSUQGCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004661
c12C(Cl)CCc1[nH]nc2C	MCULE-7873719178,EMOLS-id_50074294,PC-id_66489607	156.613	BNBPYPYBUYBEGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004662
Cc1cnc2C(Cl)CCn12	MCULE-4512436557,EMOLS-id_195324750	156.613	RPFYLLVBUFTJRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004663
Cc1nn2c(c1Cl)CCC2	PC-id_144069107	156.613	RCVAOZYDMOQRDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004664
Clc1nc2n(c1C)CCC2	SCHEMBL19054131	156.613	AMMSSYZATFPDJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004665
Clc1[nH]cc2C(N)CCc12	PC-id_83905242	156.613	NKCUNFGDCVEHFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004666
Clc1nn(c2CCCc12)C	PC-id_83845718	156.613	YGSAPJMUPPZYLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004667
Clc1sc2N[C]=Cc2c1	PC-id_57431167	156.613	VUCUGMCAPVTZSW-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-004668
ClCc1cc2CCCn2n1	PC-id_122163208,MCULE-8660421277,EMOLS-id_75508716	156.613	IMLYUHBBZVTTNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004669
ClCc1cn2CCCc2n1	EMOLS-id_50607593,MCULE-4158418729,PC-id_100029137	156.613	MJKMZPZRRNPKAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004670
ClCc1cnn2CCCc12	MCULE-3148344740,EMOLS-id_106083658,PC-id_72213310	156.613	BUQXPEJKZWZRMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004671
ClCc1n2CCCc2cn1	PC-id_20079593	156.613	XJQRVZLBPOOHSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004672
ClCc1[nH]c2c(n1)CCC2	PC-id_121597418	156.613	LXEGNQFDGALRAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004673
ClCc1n[nH]c2CCCc12	PC-id_71306170,EMOLS-id_317683641,MCULE-3172635918,EMOLS-id_300732052	156.613	BEYMQHICXKOEFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004674
CC1=NC2=C(S1)CCS2	PC-id_155204282	157.002	HXWGDJKRJBMYFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004675
C1COC2=C(C=NN21)SN	PC-id_153590037	157.031	KXFDFEZXDXGLAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004676
C1N(C2=C(S1)N=CN2)CO	PC-id_154420025	157.031	GXDULNRZYGMMMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004677
COC1NN2C=CN=C2S1	PC-id_153930807	157.031	OFXJOYCQHRTWMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004678
C1=CN2C(C(=NC2=N1)C#N)C#N	PC-id_154363621	157.039	FTHCCSRKXJNAQM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004679
C1CC2=C(N=NN2C1)CCl	PC-id_146761969,EMOLS-id_331104583,MCULE-8314957935	157.041	RPPMBZVIJWAJRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004680
C1CN(c2nnnn12)[N+](=O)O	PC-id_86340876	157.111	KSEWPZSZFPPOAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004681
O=C1c2cc[nH]c2CC1(F)F	PC-id_141214828	157.118	DKZJPAWRMRSARE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004682
OCc1noc2c1CCC2F	PC-id_105430602	157.142	PZNGSJJZFVHVFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004683
OCc1noc2c1C(F)CC2	PC-id_105430603	157.142	YPEDEGBCVZDIND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004684
S1c2n(C(=O)C1)c(=O)[nH]n2	PC-id_14880792	157.151	GSPGKCWOYHGRTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004685
S1(=O)CC(=O)n2ncnc12	PC-id_86191747	157.151	AQJWDGRMGMKWSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004686
C1c2c([nH]c(c2CS1)O)O	PC-id_90942315	157.19	LEUKQKMRRRNCSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004687
NCc1csc2c1OCO2	PC-id_96735684	157.19	UGCMOLPBZZEXPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004688
NCc1sc2c(c1)OCO2	PC-id_96634650	157.19	SUCKJQWCULARIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004689
NCc1scc2c1OCO2	PC-id_96634649	157.19	YHOLPFMXUCLIRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004690
O=S1(=O)c2c(c[nH]c2)CC1	ZINC22_84324752,MCULE-7616610614,EMOLS-id_50501232,PC-id_46863471	157.19	YYCWRYXILPVVRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004691
s1c2OCOc2c(N)c1C	PC-id_82415925	157.19	JQHUONFFGQDRCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004692
S1CCc2n(oc(=O)c12)C	PC-id_12622839	157.19	UKPREQOCYMPXCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004693
S1(=O)(=O)Cc2c(C1)c[nH]c2	PC-id_15686556	157.19	SQBIKFLDAFKKSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004694
S1(=O)(=O)Cc2[nH]ccc2C1	PC-id_11073678	157.19	BNYMOAPNNJCDKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004695
CC1Cn2c(S1)n[nH]c2=O	EMOLS-id_6829493,MCULE-6777839263,PC-id_5302926,SPECS-id_AN-153/I286714	157.194	SOBBOSWUKCZSDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004696
C[C@@H]1Cn2c(n[nH]c2=O)S1	PC-id_7349799,ZINC22_4761200	157.194	SOBBOSWUKCZSDK-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004697
C[C@H]1Cn2c(n[nH]c2=O)S1	ZINC22_4761202,PC-id_7349801	157.194	SOBBOSWUKCZSDK-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-004698
Cn1nc2n(c1=O)CCS2	SCHEMBL12012991,PC-id_60078949	157.194	LSKFYEMDBDYLSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004699
S1Cc2n(N)c(=O)[nH]c2C1	PC-id_82415922	157.194	ICUPQAWAAAEIQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004700
S1(=O)Cc2c([nH]nc2N)C1	PC-id_83479974	157.194	FGDRZZVBKGNREL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004701
S=c1[nH]n2CCCc2[n+]1[O-]	PC-id_86134965	157.194	MGRFGOBYTVLQMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004702
CC1CCc2c1nc(s2)F	PC-id_89729313,SCHEMBL15160568	157.209	YRJYIRMXHLKJJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004703
s1c2[n+](CCN2)c(C[NH3+])c1	PC-id_52376219	157.237	KLSGPRPKBJAGET-UHFFFAOYSA-P	00000010100000000001000010000000000000000000000000000000	25-01-004704
c12CSCc1scc2N	EMOLS-id_330873154,MCULE-2251831440	157.256	NKTIMAGWWAIDDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004705
C1Cc2c(sc(C)n2)S1	MCULE-9561767764,PC-id_53274909	157.256	UPTYNSFUFVRCSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004706
Cc1nc2c(s1)CSC2	SCHEMBL15437090,PC-id_89940750	157.256	XOLLVDKCDSHWGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004707
CN1Sc2c(C1)csc2	PC-id_69477062,SCHEMBL5528915	157.256	OUMWZESLBGPSAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004708
s1c2c(CCC2)nc1S	SCHEMBL9045942,ZINC22_40448252,PC-id_14776950,EMOLS-id_114372303,MCULE-9895922784,EMOLS-id_31655091	157.256	PLOKMYNAYRKCND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004709
s1[nH]c2CCCc2c1=S	PC-id_3003935,CoCoCo_5601810	157.256	FGZFUXVLFJLJMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004710
s1sc(=N)c2CCCc12	PC-id_86183112	157.256	QASLPORGMPTDET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004711
Sc1snc2c1CCC2	ZINC22_1573803,CoCoCo_5601809	157.256	SKGPWDWRFIEPPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004712
Clc1cnc2n1CC(=O)N2	PC-id_105430855	157.558	KVVKQZZJLKJLAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004713
Clc1n2CC(=O)Nc2cn1	PC-id_83480046	157.558	YYEGGLNFEONPRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004714
Clc1oc2CCC(N)c2c1	PC-id_83905290	157.598	SZTVUUIJANKYLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004715
Clc1oc2C(N)CCc2c1	PC-id_83905289	157.598	KMQSCDMKCWZQNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004716
ClCc1noc2c1CCC2	PC-id_121597876,EMOLS-id_96120626	157.598	MMNSGZYNDRPBDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004717
ClCc1oc2CCCc2n1	PC-id_83949666	157.598	PTOHCPRBOXUQIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004718
c12N(C)CCn1ncc2Cl	EMOLS-id_317867760,MCULE-6053407603	157.601	SWPVIQHMVIRWDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004719
c12N(C)CCn1nc(Cl)c2	EMOLS-id_317868017,PC-id_141348974,MCULE-3033579677	157.601	WLCODVGXJZMLGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004720
c12NCCn1nc(C)c2Cl	MCULE-1540123395,EMOLS-id_317868785	157.601	YSUAOVLVTSOCJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004721
Clc1n2CC(N)Cc2nc1	PC-id_84650688	157.601	WQKCRVIOUJEQQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004722
ClCc1[nH]c2c(n1)CNC2	PC-id_83949413	157.601	QIUYABJHCSFQSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004723
ClCc1nnc2CCCn12	EMOLS-id_36854342,PC-id_66489685,MCULE-2839112293	157.601	WPGATYIEUKVZLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004724
n12C(CCl)CCc1ncn2	MCULE-6018082466	157.601	CTPBIMHDUPWYBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004725
Nc1nn2c(c1Cl)CCC2	PC-id_105430860	157.601	WXAKNCKVRQFXJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004726
CN1C2=CSC=C2NS1	PC-id_163659656	157.997	LTLMKCHCVJDTAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004727
C1COC2=CC(=NN21)CCl	EMOLS-id_316790827,PC-id_154881946,MCULE-4666059511	158.025	APIDITJMCNMXCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004728
[B]1C(=C(c2c1c(c([nH]2)C)C)C)C	PC-id_91583880	158.028	MKFJUSWAUIFLEW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004729
[B]1C(=C(c2c1[nH]c(c2C)C)C)C	PC-id_91591697	158.028	PTYXAORYINGPRQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004730
FOc1noc2c1CN(C2)C	PC-id_145046748	158.13	GBFQVJDBODOUEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004731
c1(C(F)F)c2CCCc2[nH]n1	PC-id_19616684,MCULE-3584344583,TIMTEC310697,ZINC22_12394534,CoCoCo_6653902,EMOLS-id_8873102,CoCoCo_6653901	158.149	MKIHPDJBJQHUDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004732
OC1SC(c2c1occ2)O	SCHEMBL7846971,PC-id_19078204	158.175	CNPWPKLFRNHNTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004733
S1(=O)(=O)Cc2c(C1)coc2	PC-id_10898961	158.175	AOLFACTYFNVETR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004734
S1(=O)(=O)Cc2c(occ2)C1	PC-id_14977741	158.175	OVANOEOMAGNKEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004735
C1c2c(CS1(=O)=O)nc[nH]2	PC-id_134860382	158.178	YXDMXPVKGLJEOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004736
ON1CNc2c1scc2O	PC-id_69289638,SCHEMBL5039727	158.178	NCZROLOEKYNHDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004737
ON1CSc2c1[nH]cc2O	PC-id_69288244,SCHEMBL5036342	158.178	HFTSTNHZMMEOSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004738
O=S1(=O)Cc2cn[nH]c2C1	EMOLS-id_58031525,MCULE-1935093148,PC-id_10909828,ZINC22_137059621	158.178	TYWDILZJAROLBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004739
O=S1(=O)CCn2c1ncc2	PC-id_18183101,SCHEMBL7951395	158.178	LDCCNEAKOSGTAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004740
O=S1(=O)NCc2c1cc[nH]2	PC-id_57791636,SCHEMBL13786481	158.178	HVUHPKJVVPZFIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004741
O=S1(=O)NCc2c1c[nH]c2	SCHEMBL13786483,PC-id_57791626	158.178	OLXYWMHNCZPONP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004742
O=S1(=O)NCc2c1[nH]cc2	SCHEMBL13786482,PC-id_57791750	158.178	BAZRHNLYOUTZCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004743
O=S1(=O)NCc2n1ccc2	SCHEMBL13786485,PC-id_57791659	158.178	WVQNZHMTADNLPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004744
O=S1(=O)NCn2c1ccc2	PC-id_57791717,SCHEMBL13786484	158.178	SNTNTHCBEQUTJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004745
S1c2n(CC1)c(=O)[nH]c2O	PC-id_54010645	158.178	KSCITXQBESWKRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004746
s1c2OCOc2c(N)c1N	PC-id_82415778	158.178	VTTVRDBEMSJNGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004747
S1(=O)Cc2c(onc2N)C1	PC-id_83480081	158.178	BHMQLVLEEAKTSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004748
Fc1nn(c2c1CSC2)C	PC-id_145769718	158.197	DQUKUUYJFIXNEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004749
Nc1nc2c(s1)C(CC2)F	PC-id_105430926	158.197	DUMOANBTYQDGQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004750
CC1OSc2c1ccs2	SCHEMBL19053344	158.241	HWVDRGDOIVTEAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004751
CC1OSc2c1scc2	SCHEMBL19053199	158.241	CUFAPLKQOLXOGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004752
O=c1sc2c(s1)CCC2	SCHEMBL13196649,PC-id_59449525	158.241	RZYCZQBPWKBCAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004753
S1(=O)Cc2c(C1)csc2	PC-id_14092835	158.241	PEHPUVOOMCXJDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004754
s1sc2c(c1=O)CCC2	CHEMBL1173198,PC-id_49799583	158.241	IRLSMNHMWKTPGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004755
C1Cc2c(sc(N)n2)S1	PC-id_53274895,MCULE-6105808644	158.245	SABOSSVFGWHODV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004756
CN1CSc2c1scn2	PC-id_68173153,SCHEMBL11946626	158.245	GFDIOCCZRDDCEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004757
S1CC[n+]2c1scc2C	PC-id_12263109	158.264	MTRDULQJIBOMSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004758
SC1C[n+]2c(C1)csc2	PC-id_139644473	158.264	YSVOKNBPVONDEP-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004759
c12COCc1nn(C)c2Cl	MCULE-4392871364,EMOLS-id_317871095,PC-id_83845751	158.586	XEVVZERJCOPIMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004760
C1Cc2c(C1)n(nc2Cl)O	PC-id_137399513,SCHEMBL20631148	158.586	BAKMNLXSBYCJFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004761
Clc1nn(c2c1COC2)C	PC-id_83845750	158.586	OFVYZRBQMKMWAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004762
ClCc1oc2c(n1)CNC2	PC-id_83949295	158.586	ILTMFLHLZGIPQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004763
OC1CCn2c(Cl)cnc12	PC-id_137408096,SCHEMBL20640762,EMOLS-id_324035023	158.586	SLONZAWLPZFIGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004764
CC1(Cl)Cc2n(N1)nnc2	PC-id_70123825,SCHEMBL7542811	158.589	UIKDOHXZTYAMDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004765
c12CCCc1scc2Cl	SCHEMBL13881200,EMOLS-id_330871872,PC-id_89192607,MCULE-3533233936	158.648	QVFDSALOIZXFSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004766
C1Cc2c(C1)sc(c2)Cl	SCHEMBL13984175,PC-id_89219486	158.648	HXLUOKVPPNZMLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004767
ClC1CCc2sccc12	PC-id_55268685	158.648	RGVNTILNHFLYPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004768
C/C=C
/C2=CCC=C2N/C1=C/C	PC-id_163547977	159.105	FGRDDUHBWNXQTI-TTYYHJRKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004769
FC(F)c1coc2CNCc12	MCULE-5379919490,EMOLS-id_208098455	159.133	HMXRYULPVHALLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004770
c1(C(F)F)[nH]nc2CNCc12	EMOLS-id_317873141,MCULE-2407954473	159.137	ZXEHSNODBSZJFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004771
FC(c1nn2c(n1)CCC2)F	PC-id_138553683,SCHEMBL20909737	159.137	LFGNFDVRGGATFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004772
n12CC(Cc1c(cn2)N)(F)F	EMOLS-id_320441109,MCULE-1069576815	159.137	XBJPLYYSNRTGSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004773
n12CC(Cc1cc(N)n2)(F)F	MCULE-6191017847,EMOLS-id_317862654	159.137	KIJSXLOHRREVTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004774
Nc1n[nH]c2c1C(F)(F)CC2	PC-id_105431130	159.137	IMONOQLLUHUNKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004775
C1c2c(CS1(=O)=O)ocn2	PC-id_134843027	159.163	HNYNDKPNCXVYSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004776
O=S1(=O)NCc2c1cco2	SCHEMBL13786460,PC-id_57791741	159.163	MJZJCSZHHOOQDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004777
O=S1(=O)NCc2c1coc2	SCHEMBL13786464,PC-id_57791716	159.163	YXANSUACDJMNOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004778
O=S1(=O)NCc2c1occ2	PC-id_57791499,SCHEMBL13786463	159.163	LJGFIFAHEXFTDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004779
S1(=O)(=O)Cc2c(onc2)C1	PC-id_10986523	159.163	CJCVKWWSYIEXRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004780
O=S1(=O)NCc2c1c[nH]n2	PC-id_57791692,SCHEMBL13786473	159.166	JCAMNYKCYBBGNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004781
O=S1(=O)NCc2c1nc[nH]2	SCHEMBL13786486,PC-id_57791562	159.166	AUENXFCXSMFFBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004782
O=S1(=O)NCc2c1n[nH]c2	PC-id_57791561,SCHEMBL13786471	159.166	JPOSSHGLJJTIJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004783
O=S1(=O)NCc2n1ccn2	SCHEMBL13786487,PC-id_57791680	159.166	RUPCMLLWICIRHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004784
O=S1(=O)NCc2n1cnc2	PC-id_57791488,SCHEMBL13786492	159.166	OYZSHYZNYYTOLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004785
O=S1(=O)NCc2n1ncc2	PC-id_57791535,SCHEMBL13786472	159.166	JPEZIQOIHXZBHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004786
O=S1(=O)NCn2c1ccn2	PC-id_57791755,SCHEMBL13786469	159.166	CEJXDAJSDPYUSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004787
O=S1(=O)NCn2c1cnc2	PC-id_57791754,SCHEMBL13786489	159.166	GFTBFQGISFTVMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004788
O=S1(=O)NCn2c1ncc2	SCHEMBL13786488,PC-id_57791627	159.166	XTJPLLLXTQHTPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004789
CC1C(=Cc2c1c(n[nH]2)C#N)C	PC-id_89374934	159.188	PPFJKVMISVXEGM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004790
N#Cc1n[nH]c2c1[C@@H](C)C(=C2)C	SCHEMBL14597021	159.188	PPFJKVMISVXEGM-LURJTMIESA-N	00000011100000000001000010000000000000000000000000000000	25-01-004791
N#CC=C1CC(n2c1ncc2)C	EMOLS-id_114375484	159.188	OFDAVTDEFNTDFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004792
CC(=C)CC1=CCn2c1ccc2	PC-id_121217190	159.228	MRJWGSYRELPOSX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004793
[nH]1c(=CCCC)cc2c1=CC=C2	PC-id_57136857	159.228	RMWCCXWIBDLRJC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004794
C1SCc2c1c(=O)[nH]s2	SCHEMBL7260167,PC-id_70038561	159.229	BVTSUKSYBVNARH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004795
O=c1ssc2c1NCC2	PC-id_141181568	159.229	NKFPXEMLZAONHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004796
C1Cn2c(nsc2=S)N1	PC-id_135405388,NSC725856	159.233	GCHCAFIIXGRBLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004797
Cn1cc2c(n1)NSS2	PC-id_86134267	159.233	AFURXQYEAFXLTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004798
S1NSc2nn(cc12)C	PC-id_22736557	159.233	KBSZPALSMYWKHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004799
Clc1nc2CCCc2s1	EMOLS-id_39469391,SCHEMBL1430113,PC-id_9812845,MCULE-3078600322,ZINC22_33966063	159.637	GDZIRWVWTKMWPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004800
Bc1c2c(c([nH]1)O)C(=NC2=O)B	PC-id_137327291	159.746	YCIIWJQTPYWBAO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004801
c1(C(F)F)[nH]nc2COCc12	EMOLS-id_317872629,MCULE-1585627003	160.121	CUJKXXXCPGQJLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004802
Nc1noc2c1CCC2(F)F	PC-id_105431383	160.121	OGZCURWQDKRMCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004803
Nc1noc2c1C(F)(F)CC2	PC-id_105431384	160.121	JNUDUIBNWYIEBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004804
[CH]c1c2c(c([nH]1)O)C(=NC2=O)[CH]	PC-id_135993590	160.13	GSHZSQZGWLZJJT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004805
c1c2c(c([nH]1)NC#N)C=NC2=O	PC-id_88175817	160.133	KTRFCBXLKIDUMM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004806
OC(=O)n1[nH]n2n([nH]1)CNC2	PC-id_70153770,SCHEMBL7651352	160.135	ZEIPGWUCOPYYBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004807
O=S1(=O)NCc2c1cno2	SCHEMBL13786500,PC-id_57791509	160.151	MCCFZYQZLRKVPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004808
O=S1(=O)NCc2c1con2	PC-id_57791538,SCHEMBL13786501	160.151	XOVYAJJWBQQIQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004809
O=S1(=O)NCc2c1nco2	SCHEMBL13786470,PC-id_57791644	160.151	JWVJKBZWKXKOPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004810
O=S1(=O)NCc2c1noc2	PC-id_57791727,SCHEMBL13786499	160.151	XHIGUSYRMJGNFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004811
O=S1(=O)NCc2c1ocn2	SCHEMBL13786466,PC-id_57791698	160.151	JZVHZAMJVPMFJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004812
O=S1(=O)NCc2c1onc2	SCHEMBL13786498,PC-id_57791573	160.151	HTGABESSTYXJGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004813
O=S1(=O)NCc2c1n[nH]n2	PC-id_57791711,SCHEMBL13786507	160.154	UOTPJLAAZJRXDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004814
O=S1(=O)NCc2n1cnn2	SCHEMBL13786505,PC-id_57791756	160.154	JQZUBUBMOVBOQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004815
O=S1(=O)NCc2n1ncn2	SCHEMBL13786504,PC-id_57791726	160.154	FHOZXBCCZNXBOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004816
O=S1(=O)NCc2n1nnc2	SCHEMBL13786508,PC-id_57791757	160.154	AWXJDCZULUVAEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004817
O=S1(=O)NCn2c1cnn2	SCHEMBL13786509,PC-id_57791548	160.154	QAAWFZDJYGWTHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004818
O=S1(=O)NCn2c1ncn2	PC-id_57791516,SCHEMBL13786506	160.154	LYPBOGAOMSOZCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004819
O=S1(=O)NCn2c1nnc2	SCHEMBL13786503,PC-id_57791645	160.154	HUKDYLRDLQVMFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004820
CC1CC(=O)c2ccc(C#N)n12	EMOLS-id_336567829	160.173	PSBUDSMGKPRVFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004821
N#CCC1Cn2c(C1=O)ccc2	SCHEMBL8829589,PC-id_54473544	160.173	XJYVFDJNLPPLNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004822
FC1(F)Cc2c(C1)csc2	PC-id_145406060	160.184	OIIFYPVTAMBXHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004823
C1CS(c2nccn12)(O)O	PC-id_91488840	160.194	HYKWIKUSDVTIEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004824
CCc1cc(C#N)c2CCCn12	PC-id_12039477,EMOLS-id_50383210,MCULE-5371903999,ZINC22_39081421	160.216	VJYRVSJYKIQARF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004825
CC(C#C)c1n[nH]c2CCCc12	EMOLS-id_313877587,MCULE-8754824233	160.216	WJQQYOWHPOIQHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004826
C#CCCc1n[nH]c2CCCc12	MCULE-8781834246,EMOLS-id_313870418	160.216	OGIJOFCWHNYXRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004827
CCn1nc2CCCc2c1C#C	EMOLS-id_324399967,MCULE-2680344695	160.216	UYKOFPZDBBHQJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004828
n12c(CCC1)cc(c2C)CC#N	PC-id_84764258	160.216	JQSFUABTFLQQQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004829
n12c(CCC1)c(c(c2C)C#N)C	PC-id_12039491	160.216	VAIDTUMJAYWOHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004830
n12c(CCC1)cc(c2CC#N)C	PC-id_84764259	160.216	KRUYBMSWWZBFCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004831
n12c(CCC1)c(cc2CC#N)C	PC-id_84764260	160.216	YNDOEKHHHWWKJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004832
n1(c2c(CCC2)c(c1)CC#N)C	PC-id_84764262	160.216	JLVKQPMVJIVFBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004833
n1(nc2c(CCC2)c1C)CC#C	PC-id_45121278	160.216	QQMJZBGWYDNART-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004834
n1(nc(c2c1CCC2)C)CC#C	PC-id_45121277	160.216	HGCJKUNCIWYTDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004835
N#CC[C@@]1(C)CCn2c1ccc2	PC-id_102389676	160.216	LTANJXKCSVSRSO-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-004836
[nH]1c2c(CCC2)c(c1C)CC#N	PC-id_84764264	160.216	MDKAVWDCSXSVRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004837
[nH]1c2CC(Cc2c(c1)CC#N)C	PC-id_84764261	160.216	LHTKFTXOGPQUSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004838
N1NS(=O)c2c1scc2	PC-id_101023422	160.217	DEEKGFSFXNUXMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004839
C1c2c(CS1)scc2F	PC-id_86692647,SCHEMBL15193901	160.232	UHRCQRCLIQJJBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004840
OC1C[n+]2c(S1)scc2	PC-id_110179598	160.237	TYAYMMIIDUCYOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004841
[N]1Sc2c(S1)ccs2	PC-id_102453562	160.26	PVMACRZGENUUTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004842
[N]1Sc2c(S1)csc2	PC-id_101391468	160.26	KLOKRWDKJBGZIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004843
C1Sc2c(S1)csc2	PC-id_143658141	160.28	YTURECWVBFDOCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004844
c12NONc1[nH]c(CCl)n2	PC-id_43839771,MCULE-3514172135,EMOLS-id_31521093	160.562	INUQWZLNIVFKPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004845
OC1C[n+]2n(C1)ccc2.[Cl-]	CHEMBL1377572	160.601	BYBBDRGDEYLADB-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-004846
Clc1cc2COCc2s1	EMOLS-id_337930713,PC-id_117836412,SCHEMBL16418897	160.621	VGXXVMJKNHHEDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004847
Clc1cn2CCSc2n1	CoCoCo_5595419,PC-id_432821,LI_185187,SCHEMBL1590355	160.625	RUFNDASHPOUWCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004848
Clc1n[nH]c2c1CSC2	PC-id_83191676	160.625	LLUJSZVQQRNIBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004849
N#CB1Cc2c(C1)c(n(n2)N)N	PC-id_143674537	160.972	QVDWORFTQIRUII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004850
CC1=C2CC(=C)C(=O)C2=C(N1)C	PC-id_154193093	161.084	VGHIIHIHKJBKKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004851
CC1(CCC2=C1NN=C2C#N)C	PC-id_153923076	161.095	LJOYRVKUFZHTKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004852
O=C1n2c(C(=O)N1)cc(c2)C#N	PC-id_83679971	161.118	DLNHEWRXMDEDNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004853
CC(C)(C)N1C=CC2=C1C=CC2	PC-id_162034034	161.12	ADELCBAESLXLMF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004854
O=S1(=O)On2c(O1)ccc2	PC-id_140688189	161.136	BVWUIMFBDGKJIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004855
O=C1n2c(C=C1C(=O)C)ccc2	PC-id_10487182	161.157	DCVNMOZBWUDREJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004856
C1Cn2c(N1C(=O)C#C)ccn2	EMOLS-id_114378228	161.161	SOVJTTYMIMUCKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004857
CC1C(=O)Nc2cc(cn12)C#N	EMOLS-id_44464625,PC-id_45088691,MCULE-9272022888	161.161	REDXEZJAVOEZAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004858
C#CC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_97218575,MCULE-1250151118	161.161	DKSZAVDRHPXOAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004859
C[C@@H]1C(=O)Nc2cc(C#N)cn12	PC-id_93500348,ZINC22_39081548	161.161	REDXEZJAVOEZAO-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004860
C[C@H]1C(=O)Nc2cc(C#N)cn12	ZINC22_39081550,PC-id_93500349	161.161	REDXEZJAVOEZAO-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004861
CC1=C(C)n2c(C1=O)ccc2C	PC-id_68560455,SCHEMBL3236027	161.2	GBAGSIBKZIHGCQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004862
C=C(c1c2COCc2c[nH]1)C=C	PC-id_144903664	161.2	JRVLBMIVHBLWKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004863
CC(C1=Cc2n(C1=O)ccc2)C	SCHEMBL21239991,PC-id_139385032	161.2	IVZVWWGVTHXMBM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004864
CCC=C1Cn2c(C1=O)ccc2	PC-id_54007300,SCHEMBL10902694	161.2	KPUHCNIXMHKIBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004865
C=CC(=O)c1ccc2CCCn12	PC-id_86127308,CHEBI:134433,HMDB0040028,CNP0081832	161.2	WDGGKRGJJOBJCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004866
o1c2c(CCC2)c(c1C)CC#N	PC-id_83610134	161.2	XEYQFNFJVXNLMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004867
o1c2c(CCC2)c(c1CC)C#N	PC-id_83610196	161.2	QPDRJGXQUCQSIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004868
o1c2c(CCC2)cc1CC[N+]#[C-]	PC-id_83480242	161.2	FPAJLUQRQIXEII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004869
O=C1c2n(ccc2CCC)C=C1	PC-id_22217350	161.2	XDUNEFYVGPMDKQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004870
O=C1CC(=C(C)C)n2c1ccc2	PC-id_45277907	161.2	SQPNTKJLPFKBIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004871
c1(C#N)c2CCCc2nn1CC	EMOLS-id_70118690,MCULE-3910175626,PC-id_105431661	161.204	YATJLILBZRUJKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004872
c1(C#N)c2C(C)CCc2n(C)n1	MCULE-1857962959,EMOLS-id_331019775	161.204	CNEDYVBGFCYKDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004873
c1(C#N)n(C)nc2CCC(C)c12	EMOLS-id_331005886,MCULE-3719866712	161.204	FXPYTAFTODNJIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004874
Cc1c(C#N)c2n(c1C)CCN2	NSC159921,CoCoCo_5497208,PC-id_293367,ZINC22_1614692	161.204	DCDDRBMSYNDNNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004875
Cc1cnn2CCC(CC#N)c12	EMOLS-id_324140853	161.204	BEUOZUJBYQUYIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004876
C=C/C=c/1c(=C)n2CCNc2n1	PC-id_136827939	161.204	MXYYITGPAZQNED-XBXARRHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004877
C#CCNC1CCn2c1ncc2	EMOLS-id_96772019	161.204	ONZCVHIDLPDTFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004878
CC(C#N)c1n[nH]c2CCCc12	PC-id_82415417,EMOLS-id_313889107,MCULE-2337955008	161.204	QNGDSAQSPUGZGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004879
CCn1nc(c2c1CCC2)C#N	PC-id_105431660	161.204	ZBJVDBWKXZPJGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004880
[C-]#[N+]CCc1n[nH]c2CCCc12	EMOLS-id_313884506	161.204	RHQKOQYZWKNAGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004881
n12c(CCC1)c(nc2C)CC#N	PC-id_84764398	161.204	LKDLVMAVWHTABY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004882
n12c(CCC1)c(nc2C)C[N+]#[C-]	PC-id_83480270	161.204	WFJAGDWALDYJPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004883
n12CCCc1cnc2CC[N+]#[C-]	PC-id_83480275	161.204	KZMVTLKIFFYGPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004884
n12c(CCC1)c(nc2CC#N)C	PC-id_84764392	161.204	WRIOJDRQOJFXQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004885
n12c(CCC1)c(nc2C[N+]#[C-])C	PC-id_83480266	161.204	OVCKGNSWTVNKTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004886
n12CCCc1nc(c2C)CC#N	PC-id_84764399	161.204	TVBADTMCVLGADU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004887
n12CCCc1nc(c2CC#N)C	PC-id_84764381	161.204	JGNFZDAQPLDZDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004888
n12CCN(c1cc(c2)CC#N)C	PC-id_84764394	161.204	LRPKMWWZZGKKOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004889
n12CCN(c1ccc2CC#N)C	PC-id_84764396	161.204	ZSKYJTLWIBSGAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004890
n12nc(cc1CCC2)CC[N+]#[C-]	PC-id_83480276	161.204	VNLZTAYBKFVGKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004891
n1(nc2c(CCC2)c1CC#N)C	PC-id_84764379	161.204	OMKUTHNKOKSTEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004892
n1(nc(c2c1CCC2)CC#N)C	PC-id_84764380	161.204	QIXNJFIFZVIEGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004893
N#CCCc1cc2CCCn2n1	EMOLS-id_324139829	161.204	PPMIDWDPUSWWJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004894
N#CCCc1n[nH]c2CCCc12	MCULE-3507704168,EMOLS-id_313889619	161.204	OHHDCHVRASCKDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004895
n12c(ccc1C=[N+](C)C)C=CC2	PC-id_12639211	161.224	GVTSBRURPUBYKT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004896
CCc1cc2=CCC=c2n1CC	PC-id_89281366,SCHEMBL14228736	161.243	GKULLPYERJYEPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004897
CCc1cn2CC=Cc2c1CC	PC-id_91235957	161.243	KDEQURIHTXKNEW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004898
CC(C=C1CCc2c1cc[nH]2)C	PC-id_141214824	161.243	GSIUHHQGGAPZQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004899
n12c(C(C(C1)C=C)(C)C)ccc2	PC-id_86240656	161.243	YGMGJLRSIGFJAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004900
n1(c2c(CC(=C2)C)c(c1C)C)C	PC-id_20823354	161.243	VXRACRGTCGXDBA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004901
CC(C1=Cc2c(C1)[nH]cc2)(C)C	SCHEMBL19540054	161.244	VBFNYJYFRCCQOG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004902
C/C=c
/[nH]c2c(/c1=C/C)CCC2	PC-id_144640416	161.244	XHQJCYAUZKXYJQ-TTYYHJRKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004903
C/C=Cc1cc2n(c1C)CCC2	PC-id_144598081	161.244	KIXINUFRLUEAGT-HYXAFXHYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004904
CCC(c1ccn2c1CC=C2)C	PC-id_57646159,SCHEMBL12386865	161.244	VFBFFKMZJZNWJN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004905
n12c(CCC1)c(cc2C)CC=C	PC-id_15342441	161.244	GBXSDNSNJZZUQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004906
n12c(cc(C(C)(C)C)c1)C=CC2	PC-id_10844711	161.244	KVBOFTVLHYUHCB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004907
[N]1Sc2c(S1)csn2	PC-id_100995972	161.248	FTGYIZZNTQCWFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004908
c1c2c(cs1)SNS2	PC-id_91995838	161.268	ZSJITWRBVMYCLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004909
c1cn2c(c1)SSS2	PC-id_91066718	161.268	VXTZZZVUCYDXPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004910
N1Sc2c(S1)ccs2	PC-id_141058751	161.268	GKRIAXTUOPMOAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004911
Clc1nn2CCSc2n1	PC-id_84651313	161.613	LVUXPIVRPXHRGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004912
OP1(=O)On2c(O1)ncc2	PC-id_141272999	162.041	OWWHOOHOPPIPOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004913
C1c2c(CN1C#N)[nH]nc2[AlH2]	PC-id_163917016	162.049	QXDJCZHUDKLPRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004914
C1c2c(CN1C#N)n(nc2)[AlH2]	PC-id_163700956	162.049	KAYCPIIXFFUVMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004915
CC1=CSC2=C1CC=C2C=C	PC-id_163718363	162.05	KPHZGNASHAMLFS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004916
CC1=CN2CC=C(C2=C1)C(=O)[O-]	PC-id_153818991	162.056	QMMFDKSOPBLLNG-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-004917
CC1=C2C(=C)N=C(C2=C(N1)O)C	PC-id_163911465	162.079	DJQJKTWRTZZSRV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004918
CC(=O)C1CN=c2n1c(=C)cc2	PC-id_164116697	162.079	YBUARMXYDPINKR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004919
FC1(F)Cc2[n+](C1)noc2[O-]	SCHEMBL21315354,PC-id_139451503	162.094	VXZCQRDVYMIGTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004920
[O-]c1on[n+]2CCC(F)(F)c12	EMOLS-id_337732250	162.094	GQWPZWBOODPNEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004921
CC1=C(N2C(=C(N=C2C1)C)C)C	PC-id_154163543	162.116	LBPJMMLEEUEJID-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004922
O=C1Nc2n(C1C)cnc2C#N	PC-id_15722012	162.149	KTFWLWOFLHRWTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004923
CC(=c1cc2C=CC=c2[pH]1)C	PC-id_91254852	162.168	IHJGZANKNHBICJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004924
CC(=C1Cc2c(C1=O)coc2)C	PC-id_141822682	162.185	LCVUXMJAVZZVND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004925
c12COCc1nn(CC)c2C#C	EMOLS-id_324401501,MCULE-6502525918	162.188	JQHTYTZFTSSWMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004926
CC(=O)C=C1CCn2c1ncc2	EMOLS-id_303190467	162.188	XVMVVBZWAGTYHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004927
CN(C1=CC(=O)n2c1ccc2)C	LI_123858,NSC87246,PC-id_258387,CoCoCo_5401098	162.188	GSEZNMMLSANCCD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004928
n12CCCc1cc(N=C=O)c2C	PC-id_112716696,MCULE-2054749674	162.188	BCVQYYQXQYNZFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004929
NC(=O)CC1=CCc2n1ccc2	PC-id_66914973,SCHEMBL1127134	162.188	ZKBGJTPSPWIFOQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004930
o1c2c(C(N)(CC2)CC#N)cc1	PC-id_83682241	162.188	UUSZYTWRZANMDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004931
O=C1n2c(c(nc2C)C)C=C1C	PC-id_10844721	162.188	JKEFIPNKWSZDFO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004932
O=C(c1nn2CCC(=C)c2c1)C	PC-id_20744108	162.188	VINXRSKHUQWYMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004933
CCC(=O)C1N=Cn2c1ccc2	PC-id_138680553,SCHEMBL21052801	162.189	WUFSPXNZQXGLLP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004934
C=CC(=O)c1n[nH]c2CCCc12	EMOLS-id_313881179,MCULE-4463175475	162.189	IMWHUWNEXBQCPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004935
NC(=O)CC1C=Cc2n1ccc2	PC-id_66914975,SCHEMBL1127136	162.189	MTLDIQXFSSLEFJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004936
O1c2n(CC1)cc(c2CC#N)C	PC-id_84764481	162.189	ROMGAHUDCDEXOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004937
O1c2n(CC1)c(cc2CC#N)C	PC-id_84764482	162.189	ZJJPNCWGDLZTQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004938
o1nc2c(CCC2)c1C(C)C#N	PC-id_83858715	162.189	BGCOWFFPFMZVKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004939
O=CC=Cc1n[nH]c2CCCc12	MCULE-4200678705,EMOLS-id_313878098	162.189	CLTPQKAYTNRBMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004940
O=C=Nc1cn(c2c1CCC2)C	PC-id_112716697	162.189	LZQMACMROKMXDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004941
c12CN(Cc1nn(C)c2C#N)C	PC-id_105431910,EMOLS-id_317876213,MCULE-9186235664	162.192	CGEPKYUZJYBJDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004942
Cc1nn(c2c1CC(N2)C#N)C	PC-id_137186758	162.192	HSXLSHZKQIFLOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004943
CCc1c2NCCn2nc1C#N	PC-id_137234979	162.192	VXAIFAJXTYLUQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004944
CCc1n[nH]c2c1CN(C2)C#N	PC-id_134224699,SCHEMBL19831859	162.192	VNTSDNWGDSNUEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004945
CCN1Cc2c(C1)c([nH]n2)C#N	SCHEMBL13563222,PC-id_89117690	162.192	PUJUDPKTENINTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004946
CCn1c(C#N)nc2c1CNC2	SCHEMBL17380230,PC-id_118613970	162.192	YBQFOFWZICVHOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004947
CCn1nc2c(c1C#N)CNC2	PC-id_105431909	162.192	CTDALJDFXLRFHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004948
CCn1nc(c2c1CNC2)C#N	PC-id_105431903	162.192	IQPGQIXAXXILTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004949
CNC1CCn2c1cc(n2)C#N	SCHEMBL15261689,PC-id_89808214	162.192	ISRCMYRIRBGSBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004950
n12CCCc1nnc2C(C)C#N	PC-id_82415284	162.192	NYDBQCATWZUXOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004951
n12CCCc1nnc2CC[N+]#[C-]	PC-id_83480334	162.192	AQOMXGKMPORENO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004952
n12CCNc1c(nc2CC#N)C	PC-id_84764520	162.192	CGZGIHOZSUCFFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004953
n12CCN(c1nc(c2)CC#N)C	PC-id_84764521	162.192	QRJPAPAAKUVNIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004954
n12nc(nc1CCC2)CC[N+]#[C-]	PC-id_83480335	162.192	XOHVCIDINORYFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004955
N1(Cc2n(cnc2C1)CC#N)C	PC-id_82415278	162.192	QRQFEVWFYRWXBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004956
N1(CCc2[nH]nc(c12)CC#N)C	PC-id_82415260	162.192	UHGNNKXBOPQYDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004957
N1(CCn2nc(cc12)CC#N)C	PC-id_84764519	162.192	MOFNBSDENBNRRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004958
N#Cc1nn(c2c1CN(C2)C)C	PC-id_105431904	162.192	GIZPQMNZHMPTIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004959
N#CCCc1nn2c(n1)CCC2	PC-id_142555700	162.192	GWKMOTGAUCFVHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004960
s1cc2CC(=C(c2c1)C#N)N	PC-id_45122466	162.212	QYTRLTNZQGHUEO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004961
CCC1=CCc2coc(c12)CC	PC-id_90887111	162.228	CBPAEZJHOIJCIM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004962
CCCc1c2C(=CCc2co1)C	PC-id_90746806	162.228	FJHLMGWQJSZKMU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004963
CCCCc1c2C=CCc2co1	PC-id_91802651	162.228	MYEFNNOPBWKIHB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004964
o1c2c(CCC2)cc1CCC=C	PC-id_13483361	162.228	CTSJCDFFIBVHMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004965
c12c(C)[nH]nc1CC(C(=C)C)C2	STOCK1N-03002,MCULE-8497271423,EMOLS-id_33611939,PC-id_4182149,CNP0167191,EMOLS-id_4783527	162.232	LOSPRTHROBDWOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004966
c12c[nH]cc1CCC2NC1CC1	MCULE-2821294416,EMOLS-id_207614803,PC-id_83905404	162.232	GGOSMKRDBKRWQK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-004967
CC(c1cnc2n1C=CC2)(C)C	PC-id_134565122,SCHEMBL20215097	162.232	RUKKOEDANRGQQK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004968
C=C(C)[C@H]1Cc2[nH]nc(C)c2C1	PC-id_766312,ZINC22_8973279	162.232	LOSPRTHROBDWOS-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004969
C=C(C)[C@@H]1Cc2[nH]nc(C)c2C1	ZINC22_8973281,PC-id_766310	162.232	LOSPRTHROBDWOS-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004970
CNc1c[nH]c2=CC(C=c12)(C)C	SCHEMBL18938289	162.232	OBWAQSMKUYWTEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004971
n12CC(=C(c1nc(c2C)C)C)C	PC-id_59119702	162.232	HGQONELIOPNTMZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004972
n1(c2C(C(=C(c2nc1)C)C)C)C	PC-id_86078362	162.232	CYATYMABEIUPIB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004973
[N]1Sc2c(S1)nsn2	PC-id_102002305	162.237	VNODSPFVIAZZGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004974
C=CCC1=Cc2c(C1)ccs2	PC-id_70164721,SCHEMBL7694030	162.251	UDKSCPOLGMGCNV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004975
C=CCC1=Cc2c(C1)csc2	SCHEMBL7694255,PC-id_70164816	162.251	GETJUAYGUDDMGJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004976
C=CCC1=Cc2c(C1)scc2	PC-id_70163347,SCHEMBL7690191	162.251	GFKHYWRVCBHFGK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004977
C#CCc1cc2CCCc2s1	EMOLS-id_313838516,MCULE-3527310807	162.251	UZQXBSXBTWUUOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004978
c1n[nH]c2c1SSS2	PC-id_88110238,SCHEMBL8164920	162.256	PRIFQAHGLOJLKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004979
S1Sn2c(S1)ccn2	PC-id_53740255,SCHEMBL8164918	162.256	CUBHZPJOXZAHKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004980
C1C=C(N2C1=CC=C2)CC(=O)O	PC-id_153828812	163.063	QVRQWZHFPNYUSI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004981
CC1=C(C2=CC=CN2C1)C(=O)O	PC-id_153818994	163.063	VPYGQOYBFBVCRZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004982
CC1(Cc2c(O1)oc(c2)C#N)C	PC-id_163617653	163.063	HLIKHALDMCNQLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004983
CC1=CN2CC=C(C2=C1)C(=O)O	PC-id_153818992	163.063	QMMFDKSOPBLLNG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004984
CC(=O)C1CN2C=CC=C2C1=O	PC-id_148241542	163.063	AIRPHWPIMFMMKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004985
COC(=O)C1=C2CC=CN2C=C1	PC-id_153913447	163.063	NZPODQWVYDBAFN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004986
COC(=O)c1ccc2n1C=CC2	PC-id_164104368	163.063	XRLBXTIWWQTAAX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004987
C1CC2=CC(=NN2C1)CN=[N+]=[N-]	PC-id_150137755	163.086	FCPOQISCWZPWOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004988
FC1(F)Cc2[n+](C1)noc2O	SCHEMBL19431957	163.102	VXZCQRDVYMIGTJ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-004989
CC1=NC2=C(C1)N=CN2C(C)C	PC-id_161537481	163.111	WLKSGNUHJQLJEL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004990
CC1N2C=CC=C2C=[N+]1C(C)C	PC-id_160043894	163.123	SBKALQRIWIYUGC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-004991
O=C1c2n(C=C1C(=O)O)ccc2	PC-id_12863023	163.13	DVXUSZAAOYVYFO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004992
Oc1[nH]c2c(C(=O)C(=O)C2=C)c1	PC-id_72263013	163.13	XQKZNWYRVHSMQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004993
Oc1[nH]cc2c1C(=C)C(=O)C2=O	PC-id_72263001	163.13	VXXIIKILLRLZGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004994
O=Cc1cc2c([nH]1)C(=O)CC2=O	PC-id_100967706	163.13	KULQIRGSBNXGKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004995
OC(=O)C1=Cc2cccn2C1=O	ZINC22_75545592,PC-id_12637712,EMOLS-id_56973193,MCULE-6899271673	163.13	NACXWNHAXKEPAX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004996
O1c2n[nH]c(c2C(C1=O)C#N)C	PC-id_13328493	163.134	KBZHVPAUAZGWLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-004997
CC(C)(C)N1C=C2CCCC2=C1	PC-id_164953523	163.136	JYXNNCPXZVVQSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-004998
COC(=O)C1=Cc2cccn2C1	SCHEMBL8871852,MCULE-5532631534,PC-id_13010025	163.173	PZXDDCWPCOETQJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-004999
COC(=O)C1=CCn2c1ccc2	SCHEMBL11071806,PC-id_70506590	163.173	PFDHFSLPMLHGGQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005000
O=C1c2c([nH]c(c2C)C)C(=O)C1	PC-id_45115957	163.173	JMKQZZHGDWXRQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005001
O=C1c2n(CC1)c(cc2)C(=O)C	PC-id_15486398	163.173	KAVXIFPXMXGPLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005002
OC(=O)c1cc2c(n1C)C=CC2	PC-id_118503392,SCHEMBL17246838	163.173	USJYMJGAZAFYEB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005003
OC(=O)c1cc2c([nH]1)C=CC2C	PC-id_70289150,SCHEMBL8151477	163.173	BKYGTPWIGMLTOM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005004
OC(=O)c1cc2c([nH]1)C(C=C2)C	SCHEMBL8157831,PC-id_70290720	163.173	AQQPNBUHAHTORX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005005
OC(=O)c1cc2c([nH]1)C=C[C@@H]2C	PC-id_57659852,SCHEMBL12777392	163.173	BKYGTPWIGMLTOM-YFKPBYRVSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005006
OC(=O)c1cc2c([nH]1)[C@@H](C=C2)C	PC-id_57659952,SCHEMBL12777393	163.173	AQQPNBUHAHTORX-RXMQYKEDSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005007
O(C(=O)c1cn2c(c1)C=CC2)C	PC-id_12335066	163.173	FMIDPZQDXCMLBV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005008
OC(=O)Cc1ccc2n1C=CC2	PC-id_18471519,SCHEMBL609410	163.173	DTZSMXYZYXKJMK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005009
OC(=O)Cc1ccc2n1CC=C2	SCHEMBL2016807,PC-id_67249075	163.173	VEIIFWBQENKWQG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005010
OC(=O)/C=C/1CCn2c1ccc2	PC-id_83635509	163.173	QGSHNJZCKMLFAQ-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005011
C=CC(=O)N1Cc2cn[nH]c2C1	MCULE-9787476998,ZINC22_306690568	163.177	MQPZPPQCBOTPLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005012
C=CC(=O)N1CCn2nccc12	MCULE-5488609958,ZINC22_863970823	163.177	VERUHDTUGKVUGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005013
CCn1nc2c(c1C#N)COC2	PC-id_105432065	163.177	ZFHHJYBDNVRJPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005014
CCn1nc(c2c1COC2)C#N	PC-id_105432061	163.177	NILWSIYFVMTDQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005015
COn1c2c(CCC2)c(n1)C#N	SCHEMBL20631154,PC-id_137399519	163.177	TYOMWWGYMOHILO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005016
N#Cc1c(N)n2c(c1O)CCC2	EMOLS-id_313777292	163.177	AXNNZGOAUXQTRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005017
N#Cc1c(N)oc2c1CN(C2)C	SCHEMBL12908875,PC-id_58116952	163.177	QQUCEZZVFAQGKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005018
NC(=O)CC1N=Cn2c1ccc2	SCHEMBL21052667,PC-id_138680433	163.177	KJQNFLUQFDYVDT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005019
O1c2n(CC1)c(c(n2)C)CC#N	PC-id_84764603	163.177	YAXWLVLBTCTGCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005020
O1c2n(CC1)c(c(n2)CC#N)C	PC-id_84764607	163.177	GEQFXOZKTVHGAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005021
O1c2n(nc(c2)CC[N+]#[C-])CC1	PC-id_83480374	163.177	PWMLPJHVGLYXRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005022
OC1Cc2n(nc(c2C1)C#N)C	PC-id_83854576	163.177	MXLRBKNDOBKJBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005023
O=C=Nc1n2CCCc2c(n1)C	PC-id_83914296	163.177	OCOIRQZZVKTDLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005024
O=C=Nc1nc2n(c1C)CCC2	PC-id_112716705	163.177	JOMSOULXAQRDTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005025
O=C=Nc1nc(n2CCCc12)C	PC-id_83914300	163.177	RZQPOUPTFGXYMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005026
O=C=Nc1n(nc2c1CCC2)C	PC-id_83914304	163.177	DXEKUBHNSMOPTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005027
O=C=Nc1nn(c2CCCc12)C	PC-id_84716889	163.177	NSDYOTRMRSGDJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005028
O=C=NCc1n[nH]c2CCCc12	EMOLS-id_313890898,MCULE-3508416465	163.177	JNRYDDVYMAGRBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005029
O=CNN=C1CCn2c1ccc2	EMOLS-id_114382280	163.177	NLNIJUFTYGZAGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005030
C1Cn2c(nc(n2)CCC#N)N1	PC-id_137219860	163.18	HTXRDSUQSIJNGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005031
c1(C(N)C#N)nnc2CCCn12	PC-id_102537454,MCULE-3265206054,EMOLS-id_42819624	163.18	ALDAXCKUHUEZKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005032
C/N=C/1C(=Nn2c1nc(n2)C)C	SCHEMBL10013331	163.18	PWTYPZVLSCSIQO-SOFGYWHQSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005033
n12N=C(C(=NC)c1nc(n2)C)C	PC-id_68009529	163.18	PWTYPZVLSCSIQO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005034
N1(CCn2nc(nc12)CC#N)C	PC-id_84764623	163.18	UTHSHEQKTRCNIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005035
N#C[C@@H](N)c1nnc2n1CCC2	ZINC22_72206967	163.18	ALDAXCKUHUEZKL-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005036
N#C[C@H](N)c1nnc2n1CCC2	ZINC22_72206968	163.18	ALDAXCKUHUEZKL-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005037
[N-]=[N+]=NCc1n[nH]c2CCCc12	MCULE-5553954509,EMOLS-id_313879122	163.18	XZGGCXXMDIEZHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005038
C=CC1=c2c(=NC1=O)ccs2	PC-id_137099858	163.196	LJUVRNIRXSVWRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005039
s1c2CC(C(=O)c2cc1)C#N	PC-id_82415111	163.196	UCXXYDDKNTYRQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005040
c12cocc1CC(NC1CC1)C2	PC-id_121207479,MCULE-1123841655,EMOLS-id_70105781	163.216	DGDWFYXDGZKJIY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-005041
C(C1CC1)c1coc2CNCc12	EMOLS-id_208098449,MCULE-3896628453	163.216	PAHICYXWYOWRIP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-005042
Cc1cc2CCCn2c1C(=O)C	HMDB0040024,PC-id_6428845,CNP0002563	163.216	FEOYYZKCVVLICI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005043
CC1CCc2c1[nH]c(c2C)C=O	PC-id_89053366,SCHEMBL13282903	163.216	XSBFDSLOAFPYBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005044
CC1CCc2ccc(n12)CC=O	PC-id_91993014	163.216	QFENVPWRTZLWJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005045
Cc1cc(C(=O)C)c2CCCn12	PC-id_6429129,CNP0022457,HMDB0040025	163.216	DJAGDEJXGVMMGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005046
Cc1cc(C(=O)C)n2CCCc12	HMDB0040023,CNP0339520,PC-id_6428862	163.216	GEURXEPGCAPDNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005047
Cc1c(C)n2CCCc2c1C=O	HMDB0040026,PC-id_86127326,CNP0002562	163.216	MBJGXSSIUJRGNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005048
Cc1coc2c1C(N=C2)C(C)C	PC-id_88992638,SCHEMBL12970602	163.216	VQVLMACHGYHRHE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005049
CC(c1cn2c(c1)C(=O)CC2)C	SCHEMBL18418852	163.216	PVSLXNILRGWLCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005050
CCC(=O)c1ccc2CCCn12	HMDB0040022,CNP0002564,PC-id_6428844	163.216	WOCOJSXECLIQIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005051
CC(=O)Cc1cn2c(c1)CCC2	PC-id_96736361	163.216	XAQPJPWAWKGPNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005052
CC(=O)Cc1c[nH]c2c1CCC2	PC-id_96736365	163.216	CRCVKCYCCFSUNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005053
Cn1cc2c(c1)C(=O)C(C2)(C)C	PC-id_112714233	163.216	LQBPSQZPPHWJBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005054
n12CCCc1ccc2CC(=O)C	MCULE-6605447871,PC-id_96736362	163.216	JIMWYZQKVMVKQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005055
n12cccc1C(=O)CC2C(C)C	CHEMBL1086608,PC-id_45277908	163.216	UUZLSXXLHASFNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005056
o1c2c(C(NC3CC3)CC2)cc1	PC-id_83905422	163.216	NSCCBAJMZHGMBJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-005057
o1c2C(NC3CC3)CCc2cc1	PC-id_83905420	163.216	YQTNVFAPVVQIQT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-005058
o1cc2C(NC3CC3)CCc2c1	PC-id_83905421	163.216	PDKPJKWYTZNIFX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-005059
O=C1c2c(CC1)c(n(c2C)C)C	PC-id_23456179,SCHEMBL11344831	163.216	CSGUVLGQKHZZHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005060
O=C1c2c(CC1)cn(C(C)C)c2	PC-id_83905423	163.216	RTEWXQURPSJHKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005061
O=C1c2c(n(c(c2)CC)C)CC1	PC-id_83815786	163.216	XTVWMPRBDBLCEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005062
O=C1c2c([nH]c(C(C)C)c2)CC1	PC-id_83815785	163.216	LLNKBOOKHRGWLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005063
O=C1c2[nH]c(c(c2CC1)C)CC	PC-id_45115959	163.216	SHYPNFZAJMTQDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005064
O=C1CC(n2c1ccc2)CCC	PC-id_83635526	163.216	GUMGLOYEPFFXMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005065
O=C(c1c2c(n(c1)C)CCC2)C	PC-id_82596471	163.216	DEULAOMWHVKOMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005066
O=Cc1c2c(n(c1C)C)CCC2	PC-id_83480412	163.216	LYFUWMVEZBVYIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005067
O=C(c1c2c([nH]c1C)CCC2)C	PC-id_30924	163.216	DSAVZMAQFKZAHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005068
O=Cc1c(n2c(CCC2)c1C)C	PC-id_82596462	163.216	ZEGUNLDXUOIFKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005069
O=C(c1c(n2CCCc2c1)C)C	PC-id_82596470	163.216	ULONYIJGUCAGAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005070
O=C(c1n2C(CCc2cc1)C)C	PC-id_71438967	163.216	XITPUNVABABGPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005071
O=C(c1n(c2c(CCC2)c1)C)C	PC-id_83480413	163.216	KMSZFHHHYCSKEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005072
O=Cc1n(c(c2c1CCC2)C)C	PC-id_84651654	163.216	HVLAUHARMIIASL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005073
O=C(c1[nH]c2c(CCC2)c1C)C	PC-id_22895186	163.216	ZBJSJOAXBNMKOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005074
OCCC1=C(c2n(C1)ccc2)C	SCHEMBL547862,PC-id_66722002	163.216	JLYRYLSAJIGUDZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005075
OCCC1=Cn2c(C1C)ccc2	PC-id_66722001,SCHEMBL547861	163.216	SWTKOJRAVDZRFK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005076
O=C(n1c2c(CCC2)c(c1)C)C	PC-id_24976364	163.216	YJXOAYQTLQLQTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005077
C1CC1Cn1c2c(CNC2)cn1	SCHEMBL14937263,PC-id_89558149	163.22	PZQBJHXERRAKQE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005078
C1Cc2c(C1)c([nH]n2)NC1CC1	PC-id_63048851,EMOLS-id_39560338	163.22	LQISJHKYYFZGAG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005079
c1cn2c(n1)C(CC2)NC1CC1	EMOLS-id_96772022	163.22	WTLGAWRSGHKMSG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005080
c1(C(=N)N)c(C)cc2CCCn12	MCULE-2980874519	163.22	MJXTUKUOQAXZMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005081
C(C1CC1)n1cc2CNCc2n1	SCHEMBL12478218,EMOLS-id_324338784,MCULE-5788318694,PC-id_68282613	163.22	JLLWSHFNBLSJDN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005082
CC(C1=Nn2c(ncc2)C1)(C)C	EMOLS-id_331012660,MCULE-8881297507	163.22	FYAYTJMDUNYVKT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005083
CC(c1nnc2n1CC=C2)(C)C	PC-id_59825824,SCHEMBL14030332	163.22	IZQOBWDVUSHGOP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005084
C=CCNC1CCn2c1ncc2	EMOLS-id_194527286	163.22	CJVCTTQEUGROOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005085
CN(N=C1CCn2c1ccc2)C	EMOLS-id_114383509	163.22	SZAKODFSPWVPAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005086
n12CCCc1cc(CC(=N)N)c2	MCULE-1490766614	163.22	FBBJHRJOSSUOCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005087
n12C(C(=C(c1nnc2C)C)C)C	PC-id_59970746	163.22	QJLPQUXEIZPSAU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005088
n12c(nnc1C)C(C(=C2C)C)C	PC-id_20693915	163.22	MCDYWRAMCLREES-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005089
n12N=C(C(c1c(c(n2)C)C)C)C	PC-id_54479891	163.22	XOGNHZWMVXJXQU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005090
n12nc(c(c1C(N=C2C)C)C)C	PC-id_53776520	163.22	DSHKOUZEUSXTLK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005091
n12nc(nc1C(C(=C2C)C)C)C	PC-id_20693913	163.22	YQWNXBYLELQYHF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005092
n12nc(nc1C(=C(C2C)C)C)C	PC-id_59970749	163.22	DGKVOUDOMRQZBP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005093
n12N=NC(c1c(c(c2C)C)C)C	PC-id_20656982	163.22	RGZUNSDLROWZRN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005094
N1Cc2c(C1)[nH]nc2CC1CC1	SCHEMBL12478050,PC-id_68282533	163.22	CSAULIJRHCPJRN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005095
n1(ncc2N=C(Cc12)C)C(C)C	PC-id_58258354	163.22	ZCGXCPUXYBCCJE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005096
N(C1CC1)C1CCc2[nH]ncc12	PC-id_83905425	163.22	QHZXISFSODUUPD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005097
NCCC=C1CCn2c1ncc2	EMOLS-id_303193538	163.22	SGIWHOSWVWCZPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005098
NCC=Cc1n[nH]c2CCCc12	MCULE-4410294538,EMOLS-id_313877842	163.22	RWHYMLLYLIZIMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005099
NCC(=C)c1n[nH]c2CCCc12	MCULE-9132722757,EMOLS-id_313878354	163.22	ZNXGMZHNTCQANK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005100
[C-]#[N+]Cc1cc2CCCc2s1	EMOLS-id_313851066,PC-id_83480443	163.239	NMHPXAXIGLPNTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005101
N#Cc1c(C)sc2c1CCC2	SCHEMBL13569708,PC-id_22978218	163.239	XKWFPEMILOPMHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005102
N#CCc1cc2CCCc2s1	MCULE-3634129012,EMOLS-id_313468927,PC-id_84764715	163.239	TVGHBHDYRLULDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005103
s1c2c(CCC2)c(c1C#N)C	PC-id_82652340	163.239	YNLJVFTZTYUFGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005104
s1c2c(C(CC2)CC#N)cc1	PC-id_83682311	163.239	FRMLIAXROKCCGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005105
s1c2CCCc2c([N+]#[C-])c1C	PC-id_58011204	163.239	ACIZXKKLFUACRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005106
s1c2c(CC(=C)C2=NC)cc1	PC-id_54030434	163.239	LFESYIQALZTWOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005107
[N+]1(=Cc2n(C1)c(cc2)C)C(C)C	PC-id_23380185	163.24	UICQTGVZJJXKSS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005108
c12nsnc1SNS2	PC-id_91498202	163.244	MDOXYQRWLVRDGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005109
c1c2n(nn1)SSS2	PC-id_91577971	163.244	STRVPSIQYXLCKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005110
CC1CC(c2c1cc(n2C)C)C	SCHEMBL20670313,PC-id_137433994	163.259	HCXCFOIUPQMXTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005111
CC1(C)CC(c2c1c[nH]c2)(C)C	SCHEMBL13762331,PC-id_58975452	163.259	LEDCGKDSHWYEBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005112
CC1(C)CC(c2c1[nH]cc2)(C)C	SCHEMBL13762324,PC-id_58975454	163.259	UEXCNABTPGVOIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005113
CC(c1ccn2c1CCC2)(C)C	SCHEMBL18418910	163.259	HBVNBVYVQGKBAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005114
CCc1c(C)n(c2c1CCC2)C	PC-id_117807789,SCHEMBL16381205	163.259	UTMVOZQXLNJPOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005115
CC(c1cn2c(c1)CCC2)(C)C	SCHEMBL20933038	163.259	YNTIEQYMOYGVJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005116
CC(c1[nH]c2c(c1)CCC2)(C)C	PC-id_122229039	163.259	STMYABOZKBVVKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005117
CC(C)C1CC(C)n2cccc12	EMOLS-id_38026	163.259	LURCNTBNORLRLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005118
CC(C)Cc1cc2c([nH]1)CCC2	PC-id_90721808	163.259	WOUNPVHCRUEKFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005119
CC(C)CC1CCc2cccn12	EMOLS-id_38020	163.259	RJPRTPYZDWWWHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005120
CCn1c(C)c(c2c1CCC2)C	PC-id_57571427,SCHEMBL10252513	163.259	ZOPNFLHJGSPECG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005121
n12CC(Cc1ccc2)CCCC	PC-id_10329621	163.259	CEPKYGIYXSBJTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005122
n12c(CCC1)cc(c2)CCCC	PC-id_15720826	163.259	KZGRKBDJECDKOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005123
n12CC(C(c1ccc2)(C)C)CC	PC-id_86240651	163.259	DVKSGRXHOQHNAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005124
n12CC(C(C)(C)C)Cc1ccc2	PC-id_10442011	163.259	ONEHLLWJRQIPKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005125
n12C(C(C)(C)C)CCc1ccc2	PC-id_13572036	163.259	DBGQKTVFKNLLBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005126
n12c(C(C(C)(C)C)CC1)ccc2	PC-id_59961727	163.259	OTLDWHRQBDKYEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005127
n12c([C@@H](C(C)(C)C)CC1)ccc2	PC-id_59961730	163.259	OTLDWHRQBDKYEU-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-005128
n12c([C@H](C(C)(C)C)CC1)ccc2	PC-id_59961732	163.259	OTLDWHRQBDKYEU-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005129
n1(c2c(CCC2)cc1CCC)C	PC-id_13128875	163.259	LATJPUFDBJROTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005130
n1(c2c(CCC2)cc1C)C(C)C	PC-id_13193445	163.259	KCXLMCSBWXSMEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005131
[nH]1c(c2c(CCC2)c1)C(C)(C)C	PC-id_20761739	163.259	CWHPLZFTPRUMMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005132
[B]C1Cc2c(C1=O)sc(n2)N	PC-id_89193549	163.993	MDVGVEYGKRRXDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005133
C1CC(=O)C2=C1C=C(N2)C(=O)[O-]	PC-id_154349605	164.035	HOCJDKCIZQKRMP-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-005134
CC1=C2CCCC2=C(N1)C(=O)[O-]	PC-id_154446819	164.072	RSHQOZUASWAODG-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-005135
CC1=CN2CCC(C2=C1)C(=O)[O-]	PC-id_153746549	164.072	KTNIIRDCJZYICD-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-005136
C1CN2C(=CC(=N2)CN=[N+]=[N-])N1	PC-id_162349447	164.081	UGIDTRBTOHLUMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005137
C1CC2=CNC=C2C1CC(=O)N	PC-id_154411844	164.095	PTLQEXYJBOUUAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005138
CC1=C(N2CCCC2=C1)C(=O)N	PC-id_153994243	164.095	MFRHGNRZRNANBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005139
C/C=C(C)/c1c2n(CCO2)nc1	PC-id_164017001	164.095	UWEBHMCPQYIUSD-XVNBXDOJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005140
CC(C)N1CC2=CC=CN2C1=O	PC-id_154620353	164.095	YSZNXQMWVXEUDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005141
CN1C=C2CCCC2=C1C(=O)N	PC-id_161396894	164.095	VTSIBIBADSXECY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005142
O=S1(=O)On2c(O1)nnn2	PC-id_142745256	164.1	YQVDEVOMQPVMBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005143
c1c2c(c(n1C=O)O)C=NC2=O	PC-id_136438274	164.118	NJNKBLGRJUCLSP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005144
CC(C)(C)C1=COC2=C1CCC2	PC-id_162187216	164.12	OEJTZBVJNBSABQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005145
o1c2N=C(N)C(=C)c2nc1N=O	PC-id_85630367	164.122	OXFSZQMIHCOORU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005146
o1nc2CN(C(=O)c2n1)CC#N	PC-id_82415007	164.122	ORDFOUPNGIMHIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005147
CCC1=C(N2CC(CC2=N1)C)C	PC-id_154964302	164.131	OKAZCXWXCJPGKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005148
Cc1cc2c(o1)C=C([N]2)C(=O)O	EMOLS-id_313822056	164.138	QJVWLXWPLCBKCG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005149
C=CCC1c2c(C(=O)O1)occ2	PC-id_90792312	164.158	HCQHWYOIZVDOJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005150
c12c(C)[nH]c(C)c1C(=O)NC2=O	PC-id_66490128,EMOLS-id_50076069,MCULE-9785836445	164.161	UVLIVHFNMWGLEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005151
c12NCC(=O)c1cc(C=O)n2C	EMOLS-id_324778669,MCULE-4673985425	164.161	BQYPJOHPJYHESA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005152
Cc1c2c(c([nH]1)O)C(=NC2=O)C	PC-id_135770649	164.161	CBTPZTXPQKLKIX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005153
CC1=c2c(=NC1=O)c(c([nH]2)O)C	PC-id_136991179	164.161	SWXVWJXWKKWOCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005154
Cn1cc2c(c1)C(=O)N(C2=O)C	SCHEMBL17168146,PC-id_118440012	164.161	XZOMOMWTLSFTMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005155
COC(=O)c1ccc2n1CC=N2	PC-id_141356101	164.161	RRKUTZQSBRUSRA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005156
COC(=O)c1n2CC=Cc2cn1	EMOLS-id_81828735,MCULE-6058210787,PC-id_45082519	164.161	NENFZWWZFLXKBI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005157
NC(=O)c1c[nH]c2c1CCC2=O	PC-id_69191267,SCHEMBL4789663	164.161	KWRLSAWROAEQBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005158
O=C1c2[nH]c(c(c2NC1=O)C)C	PC-id_77624557	164.161	WNEWTEHPEQZLNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005159
O=C1CCn2nc(cc12)C(=O)C	PC-id_20744125	164.161	AGOSFSIMRWDWDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005160
O=C1n2ncc(c2CC1)C(=O)C	PC-id_82414970	164.161	QAUBYKQLMJWDFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005161
O=C1NCc2c1c([nH]c2C=O)C	PC-id_82596550	164.161	HOIPKLLPSYEUAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005162
o1c2c(CCC2=O)cc1C(C)C	PC-id_83905431	164.201	YTPKZRJROPZKNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005188
O=Cc1cc2c([nH]1)[C@@H](C(=O)N2)C	PC-id_143725813	164.161	YSVBQSNCOVGFBP-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005163
OC(=O)C1=Cc2n(C1)c(cn2)C	PC-id_45088828	164.161	QRJNMGVKBRGGRX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005164
OC(=O)C=C1CCn2c1ncc2	EMOLS-id_303206315	164.161	XUVURUMVRADXJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005165
OC(=O)CC1N=Cn2c1ccc2	PC-id_138682070,SCHEMBL21054405	164.161	YQZUSQSKKIFTQL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005166
C1Cn2cc(nc2N1)C(C#N)O	PC-id_137198901	164.165	RIQBXBDJUBELLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005167
c1(C(O)C#N)nnc2CCCn12	EMOLS-id_42819626,PC-id_102537455,MCULE-5754281183	164.165	HWSLYNGGPHCWRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005168
CN1CCn2c1cc(n2)N=C=O	PC-id_112716706	164.165	ICYRIEJQLIQQSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005169
CO/C=Nc1cn2c(n1)CN=C2	CoCoCo_5636271	164.165	CENPLUKSYZEJLB-UITAMQMPSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005170
CO/C=N/c1cn2c(n1)CN=C2	GD-id_ZINC17142940,NSC382331,PC-id_9555650,CoCoCo_5636270	164.165	CENPLUKSYZEJLB-WEVVVXLNSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005171
N#Cc1nc2c(n1C)CN(C2)O	PC-id_118613835,SCHEMBL17380091	164.165	UGLTWHNXHLRZPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005172
NC(=O)Cc1n[nH]c2c1C=NC2	PC-id_142113741	164.165	BDZVGFAAVPCCNA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005173
[N-]=[N+]=NCc1noc2CCCc12	EMOLS-id_337891069	164.165	RCCAGTFBGBGZCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005174
O(C(=N)c1nc2n(c1)C=NC2)C	PC-id_20843537	164.165	ZQUMFDZWDMAMLC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005175
O(C=Nc1nc2n(c1)C=NC2)C	PC-id_343225	164.165	CENPLUKSYZEJLB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005176
O=C=Nc1nc2n(CCN2C)c1	PC-id_83914333	164.165	MIXFGWYWJGWTAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005177
s1c2c(C(=O)C(=C)C2=O)cc1	PC-id_20739736	164.181	BPXRPZORNUAPKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005178
N#Cc1cc2c(s1)NC(=O)C2	SCHEMBL6626519,PC-id_18626995	164.184	WDAMFSBDLFHAMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005179
O=C(C1[n+]2n(N=C1C)ccc2)C	PC-id_78183044	164.185	SCNAZQQFMQUBMA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005180
c1(C(=O)C)c2CCCc2oc1C	PC-id_83610186,MCULE-2027213873	164.201	HMLWCRYDBDXEMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005181
Cc1cc2c(o1)C(CC2=O)(C)C	PC-id_119027195	164.201	YMNZLQKHCJKOAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005182
Cc1cc2c(o1)C(=O)C(C2)(C)C	PC-id_112714246	164.201	IBCBEYBJUVUQAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005183
Cc1oc2c(c1)C(=O)C(C2)(C)C	PC-id_112714248	164.201	QHWJLIAHJXSRBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005184
CCc1oc2c(c1)C(=O)C(C2)C	PC-id_112714250	164.201	HVIXZTRSKALZPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005185
o1c2c(CCC2)c(c1CC)C=O	PC-id_83610197	164.201	NWXNDUGVMSJSNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005186
o1c2CCCc2cc1CC(=O)C	PC-id_82596592	164.201	OQRGCKHTCLXWSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005187
o1c2c(CC(C2=O)C)cc1CC	PC-id_83905432	164.201	VBNYHRJLLDOVPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005189
o1c2CCC(=O)c2cc1C(C)C	PC-id_83815813	164.201	NSUVXVLVXVPJBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005190
o1c(c2CCCc2c1)CC(=O)C	PC-id_10797104	164.201	XGOTWUAPJXYCKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005191
c12C(=O)CCc1nc(C(C)C)[nH]2	SCHEMBL12199286,PC-id_58460155,SCHEMBL2511225,MCULE-9216315235,EMOLS-id_317690508	164.204	ZMEQSKIOSXBCHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005192
c1(C=O)c2CCCc2nn1CC	PC-id_105432442,EMOLS-id_324388445,MCULE-7098643754	164.204	YEYDZXKWQNSMQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005193
CC1Cc2c(C1=O)c(nn2C)C	PC-id_112714263	164.204	QFCHMOHHQOSZCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005194
CC1Cc2c(C1=O)c(n(n2)C)C	PC-id_112714264	164.204	SIZNWYPCMGUBJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005195
CC1CCc2c1c(C=O)nn2C	MCULE-1578987644,EMOLS-id_331004412	164.204	HXVAKAGKCGONQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005196
CC1(C)Cc2cc(C=O)nn2C1	SCHEMBL3546246,EMOLS-id_76741896,PC-id_21941447	164.204	NRUNMQZDNPWLDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005197
CC1CCc2nn(C)c(C=O)c12	MCULE-1507685875,EMOLS-id_330989500	164.204	XDCUWCLDJAMPIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005198
CC1CCn2c1ccc2C(=O)N	SCHEMBL19900782,PC-id_134285089	164.204	GRADKKQIBLNMGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005199
C(C1CO1)c1n[nH]c2CCCc12	MCULE-5723086413,EMOLS-id_313879634	164.204	XDWHZQKOUXNGFA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005200
CC(c1cn2c(c1)CNC2=O)C	PC-id_59315019,SCHEMBL13330922	164.204	VDLJIQQKAZRXFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005201
CC(c1cn2c(c1)C(=O)NC2)C	PC-id_59191746,SCHEMBL12219886	164.204	KJHALYNECZPGCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005202
CC(C1C(=O)Nc2c1cc[nH]2)C	PC-id_122696965,SCHEMBL18237871	164.204	QPYUQFXGWVADEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005203
CC(C1C(=O)Nc2n1ccc2)C	SCHEMBL11914648,PC-id_58783587	164.204	WUTAXGXOLUEDMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005204
CCc1nn(C)c2CC(=O)Cc12	EMOLS-id_337959708	164.204	GBNMYIYJWMQXCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005205
CC(C=C1CCn2c1ncc2)O	EMOLS-id_303899250	164.204	ZNQVMYYLTOTOSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005206
CC(C)C1CC(=O)c2ccnn12	EMOLS-id_324094586	164.204	GUEHHMOOIAEBLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005207
CCCN1Cc2cccn2C1=O	PC-id_91211678	164.204	MBSIWZKFXJNFKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005208
CCCn1ccc2c1CNC2=O	PC-id_141379804	164.204	AFVZYPJMKADBTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005209
CC(C)n1ccc2c1CNC2=O	SCHEMBL15535032,PC-id_90015394	164.204	KTCVLTQZNPSKCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005210
CCC(=O)c1nn2c(c1)CCC2	PC-id_142515052	164.204	QVXZVJFQGSDQOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005211
CC(C=O)c1n[nH]c2CCCc12	EMOLS-id_313876563,MCULE-6616302879	164.204	GMRHDVSJWWKSAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005212
C[C@@H]1CCn2c1ncc2C(=O)C	PC-id_138979189	164.204	CNKDFONAPBKOSI-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005213
CCN1Cc2n(C1=O)c(cc2)C	SCHEMBL805482,PC-id_66806208	164.204	UTLMWBFLPDFCKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005214
CCn1nc(C=O)c2CCCc12	MCULE-3101626215,PC-id_105432440,EMOLS-id_324388435	164.204	AXVGVUNDGSOTBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005215
CC(=O)C1CCc2c1[nH]nc2C	SCHEMBL11983459,PC-id_57907513	164.204	LUGLQIOQUCQQDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005216
CC(=O)c1c(C)nc2n1CCC2	PC-id_84651887,EMOLS-id_96305873	164.204	WSWIAIWTOUJVCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005217
CC(=O)c1c(C)nn2CCCc12	PC-id_45086312,EMOLS-id_81816738	164.204	SIDAQLJBIYSMCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005218
CC(=O)c1n(C)nc2c1CCC2	EMOLS-id_114385948,PC-id_84651889	164.204	OGIUNRSKZUHHFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005219
CC(=O)Cc1cc2CCCn2n1	EMOLS-id_324138294,PC-id_82652370	164.204	PNNVXBPPNVQEMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005220
CC(=O)Cc1cnc2n1CCC2	EMOLS-id_313649054,PC-id_82596595	164.204	WRRAIDFDUUQISD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005221
CC(=O)Cc1n[nH]c2CCCc12	MCULE-2924717241,EMOLS-id_315971302,EMOLS-id_313495992,PC-id_83858869	164.204	NXPGBJIPNSAXKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005222
CC(=O)Cn1c2CCCc2cn1	ZINC22_79065198,MCULE-9697122071,PC-id_96536618,EMOLS-id_50602285	164.204	BUBDJTYBYOPICZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005223
CCON=C1CCn2c1ccc2	EMOLS-id_114385632	164.204	ZAMGLACJJGIFPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005224
CN1Cc2c(C1=O)c(c([nH]2)C)C	PC-id_68346597,SCHEMBL12673426	164.204	QEQYOCPIRPGYGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005225
Cn1cc(c2c1CCC2)C(=O)N	PC-id_137437166,SCHEMBL20673994	164.204	USYMHZUIMPRCKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005226
Cn1ccc2c1CCC2=NOC	SCHEMBL15761099,PC-id_90192760	164.204	ODQDENYPYWBYCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005227
Cn1nc2c(c1)C(=O)C(C2)(C)C	PC-id_112714259	164.204	SPEMNPPSLAGBIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005228
Cn1ncc2c1CC(C2=O)(C)C	PC-id_112714260	164.204	ZJPGMHIFUHNQTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005229
NCCC1Cn2c(C1=O)ccc2	PC-id_67704769,SCHEMBL8829601	164.204	UXQGODGOIFAHCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005230
o1c2c(CCC2)c(c1C)C(=N)N	PC-id_83610131	164.204	CYIBGONXKGFJCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005231
o1c2CCCc2cc1CC(=N)N	PC-id_83676186	164.204	PRKHYOAGPGAAEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005232
o1c2c(C(CC2)CC(=N)N)cc1	PC-id_83682328	164.204	VUGQUKCOPDDSNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005233
o1nc2c(c1NC1CC1)CCC2	PC-id_83863247	164.204	SDZBBKXDAHQDHS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005234
o1ncc2C(NC3CC3)CCc12	PC-id_83905442	164.204	DBEKNGUXMBJSEY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005235
O=C1c2c(C)[nH]nc2CC1(C)C	PC-id_112714258	164.204	AHMNWVBHBQXEOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005236
O=C1c2c([nH]nc2C(C)C)CC1	PC-id_83861321	164.204	WYWKQGULSQQISC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005237
O=C1c2c(n(nc2)C(C)C)CC1	PC-id_83861260	164.204	PEPIFBULBLGUKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005238
O=C1c2c(n(nc2CC)C)CC1	PC-id_83861301	164.204	KGDWRSGGOLQSAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005239
O=C1c2n(C(C)C)cnc2CC1	PC-id_83873223	164.204	KKGDEZURQIBWQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005240
O=C1c2n(ncc2CC1)C(C)C	PC-id_83873222	164.204	RMNRGETVYLCKRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005241
O=C1CCc2n(C(C)C)cnc12	PC-id_83873224	164.204	KLYUUJMJQHOISU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005242
O=C1n2c(CC1C)c(nc2C)C	PC-id_20719172	164.204	AXOSDZBDBHAGFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005243
O=Cc1cc2c(n1C)CCN2C	PC-id_96224727	164.204	XDPBJSAZKFRJCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005244
O=C(C1Cc2c(n[nH]c2C)C1)C	PC-id_4182150	164.204	WGDXPCIOZMBNMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005245
O=Cc1cnc2n1CCC2(C)C	PC-id_21097354,SCHEMBL4031911	164.204	KBLFZPBVRIRGEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005246
O=Cc1cnc2n1C(C)(C)CC2	PC-id_21097335,SCHEMBL4460465	164.204	VUZGRYFPYJPJBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005247
O=C(c1n2CCCc2c(n1)C)C	PC-id_82652357	164.204	MUOKCDVAZIGCPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005248
O=Cc1nc2c([nH]1)CCC2(C)C	EMOLS-id_42571495,PC-id_79863273	164.204	YEDUTRXYZLVBKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005249
O=C(c1nc2n(CCC2)c1C)C	PC-id_82596597	164.204	PTURHRMPFOTPMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005250
O=Cc1n(cc2c1CN(C2)C)C	PC-id_83480481	164.204	LWTVHOZGCBFPCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005251
O=C(c1nc(n2CCCc12)C)C	PC-id_82596596	164.204	QYSLWDYBWFAOHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005252
O=C(c1[nH]c2CCCc2c1)CN	PC-id_82596620	164.204	FJLLFJSKHUFBMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005253
O=C(c1[nH]c2c(CNC2)c1C)C	PC-id_82414873	164.204	RAZJNYDSVRLVIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005254
O=C(c1nn2c(C(CC2)C)c1)C	PC-id_20744113	164.204	NXCYLXJUCSJIPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005255
O=C(c1nn(c2CCCc12)C)C	PC-id_84651888	164.204	PRQWYGHBAUKWJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005256
O=C(Cc1n2CCCc2cn1)C	PC-id_82652369	164.204	QUMKWBXADJGMQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005257
O=C(Cc1nc2n(CCC2)c1)C	PC-id_82596598	164.204	UNNXYDHKCLPADS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005258
OC(C=C)c1n[nH]c2CCCc12	MCULE-5871674445,EMOLS-id_313881435	164.204	WUYJORQBSNVCLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005259
O=CCCc1n[nH]c2CCCc12	PC-id_141880147,MCULE-7095055504,EMOLS-id_313869650	164.204	HOQUXNSSZJOUPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005260
c1(C(=N)N)c2CCCc2nn1C	PC-id_121214356,EMOLS-id_70118700,MCULE-1825185524	164.208	VWSXSHWVLHWHDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005261
Cc1nn2c(n1)C(C(=N2)C)(C)C	PC-id_141234529	164.208	VAVWUCBGUQOMCF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005262
CC(c1nnc2n1CC=N2)(C)C	SCHEMBL14030281,PC-id_59825848	164.208	UWRAAJVIMWTTSG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005263
CC1=Cc2c(C1C)cc(s2)C	PC-id_142732335	164.267	FTHYRLFSXJKARI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005393
CC(C1N=Nc2n1nc(c2)C)C	SCHEMBL2269294,PC-id_67341753	164.208	AJQFXHUFKZTHDH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005264
n12CCCc1cnc2CC(=N)N	PC-id_83676868	164.208	RVCWWJMSCKPGTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005265
n12CCCc1c(nc2C)C(=N)N	PC-id_83677469	164.208	GLHWKGOGFJRDBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005266
n12CCCc1c(nc2C(=N)N)C	PC-id_83677883	164.208	PWYYQDRMSHICQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005267
n12nc(cc1CCC2)CC(=N)N	PC-id_83676830	164.208	RJJWFXQUKIAYLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005268
n12nc(nc1CC(=N2)C)C(C)C	PC-id_22944513	164.208	YMHJPJACZKCNJZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005269
N(C1CC1)c1n[nH]c2c1CNC2	PC-id_84651942	164.208	GWYMEIFROCBZBU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-005270
NC(=N)c1nn(c2c1CCC2)C	SCHEMBL19357163	164.208	RGAQSXQCDWVEKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005271
NC(=N)Cc1n[nH]c2CCCc12	EMOLS-id_313867359,MCULE-6598527060	164.208	FMYRWDFZEUTHQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005272
Cc1sc2c(c1)C(=O)C(=C2)C	PC-id_141727516	164.224	YPGIRNYYIQMERX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005273
c12CN(Cc1scc2C#N)C	MCULE-7415162594,EMOLS-id_331065894	164.228	ONHJWTAHKSJRKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005274
c12CN(Cc1sc(C#N)c2)C	EMOLS-id_330871877,MCULE-1125854448	164.228	YOOHOBMTHWLYJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005275
c12CSCc1nn(C)c2C#C	MCULE-8207567022,EMOLS-id_324402769	164.228	PTNQEBHTXITINK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005276
c1(C#N)c2CCCc2sc1N	EMOLS-id_631389,LI_123718,SPECS-id_AT-225/JK21174,SCHEMBL1514467,SPECS-id_AN-153/I105018,PC-id_258182,NSC86940,TOSLab_4923,MCULE-4060235602,CK1049219,ZINC22_3885433,SPECS-id_AT-687/NB01828,SPECS-id_AT-084/J157520,CoCoCo_3709419,STOCK6S-94845,TOSLab_7412,SPECS-id_AT-687/PE32837	164.228	RILAXFOADRDGPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005277
C#Cc1nn(c2c1CSC2)C	PC-id_145769834	164.228	ZLJORXANHQDWJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005278
[n+]12n(nc(c1C)C)C=CC2(C)C	PC-id_59522865	164.228	UQKHHAQFUADGCT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005279
[N+]1(=Cc2n(C1)cnc2)C(CC)C	PC-id_23380197	164.228	YNOAWBNIOLPOBR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005280
Nc1c2CCCc2sc1C#N	MCULE-6331002719,EMOLS-id_208073721,ZINC22_675050442	164.228	JCHXVBHBZZHOQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005281
N#CCc1nc2CCCc2s1	EMOLS-id_37155792,MCULE-6175433171,ZINC22_19422427,PC-id_24689539	164.228	PRTBXBDREJDDKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005282
N#CCN1Cc2c(C1)ccs2	PC-id_140122565	164.228	NYZDSWAPUXGKQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005283
s1c2CC[C@@H](N)c2cc1C#N	PC-id_58686130	164.228	QWUJNYZFOBBQHO-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005284
s1c2CC[C@H](N)c2cc1C#N	PC-id_58686307	164.228	QWUJNYZFOBBQHO-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005285
s1c2CCC(N)c2cc1C#N	PC-id_58687089	164.228	QWUJNYZFOBBQHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005286
s1c2CCC(N)c2cc1[N+]#[C-]	PC-id_58687121	164.228	RBNFCMDLGMZNNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005287
s1c2[C@@H](N)CCc2cc1C#N	PC-id_58686780	164.228	KCRUBINZXKAWNB-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005288
s1c2[C@H](N)CCc2cc1C#N	PC-id_58687108	164.228	KCRUBINZXKAWNB-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005289
s1c2C(N)CCc2cc1C#N	PC-id_58686547	164.228	KCRUBINZXKAWNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005290
S1c2n(CC1)cc(c2)CC#N	PC-id_84764829	164.228	NIWWIFRYQPSVQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005291
CC1(C)CC(c2c1coc2)(C)C	PC-id_58975461,SCHEMBL13762329	164.244	UPWIOBMQXKHHCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005292
CC1(C)CC(c2c1occ2)(C)C	PC-id_58975465,SCHEMBL13762325	164.244	STLKFOQMXOJTFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005293
CC(c1oc2c(c1)CCC2)(C)C	PC-id_59229757,SCHEMBL13424016	164.244	MOARRUTYNOAVNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005294
o1c2c(CCC2)cc1CCCC	PC-id_13483356	164.244	YIXGXYZZXHQOHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005295
c12CCC(C)c1cnn2C(C)C	MCULE-7354650163,EMOLS-id_331019236	164.247	MUNFINBKMGBIAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005296
c12C(C)CCc1n(nc2)CCC	MCULE-1347183483,EMOLS-id_331020772	164.247	TUKYVYMCWIQNKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005297
c12C(C)CCc1nn(CCC)c2	EMOLS-id_331003815,MCULE-2572685415	164.247	XHBMMKQBPICQTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005298
c12cn[nH]c1C(CC2(C)C)(C)C	EMOLS-id_75547518,MCULE-3971701981,ZINC22_200522822,SCHEMBL13669653,PC-id_58975466	164.247	LRIPMSCKGARNIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005299
c1(C(N)(C)C)c[nH]c2CCCc12	PC-id_96736581,MCULE-1742636062	164.247	UWFCULJGGLTHKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005300
Cc1c2CCC(c2n[nH]1)C(C)C	PC-id_88973813,SCHEMBL12877423	164.247	HYOBATFKOWAHNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005301
CC1Cc2c(C1CNC)c[nH]c2	PC-id_112714273	164.247	ZRGZRTKNFIADBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005302
CC1(C)CC(c2c1[nH]cn2)(C)C	PC-id_58975458,SCHEMBL13669599	164.247	GIWUZXWCEQTULJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005303
CC1(C)CC(c2n1cnc2)(C)C	PC-id_89143918,SCHEMBL13669600	164.247	JGXHHOOWBPPSSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005304
CC1(C)CC(c2n1ncc2)(C)C	SCHEMBL13669596,PC-id_89143916	164.247	XNQOFQVUIIELLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005305
CC1Cn2ccnc2C1C(C)C	SCHEMBL19937615,PC-id_134316696	164.247	YBMZTKTXAUBNRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005306
Cc1nn2c(c1)C(C(C2)(C)C)C	PC-id_102105728	164.247	PHOBAIQIUHUZIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005307
CCc1c2CCCc2nn1CC	SCHEMBL14621344,PC-id_89383723	164.247	LXSNGSVPGLQZRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005308
CCC1c2[nH]ccc2C(N1C)C	PC-id_117808080,SCHEMBL16381542	164.247	FXBGMWRZOAOJET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005309
CC(C1Cc2c(C1)cn[nH]2)(C)C	SCHEMBL18783032	164.247	PYNAPZDUAMZQAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005310
CC(C1CCc2c1[nH]cn2)(C)C	PC-id_57749638,SCHEMBL11923766	164.247	ONIPVPLABQZNSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005311
CC(C1C(C)Cc2c1c[nH]c2)N	PC-id_112714272	164.247	NULPXPHYUBBOGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005312
CC(c1c(C)cc2n1CCC2)N	PC-id_112489768	164.247	JWGKLKHIMAFQPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005313
CCc1cc(CN)c2CCCn12	ZINC22_218297607,PC-id_100010805,MCULE-9266405268,EMOLS-id_50383222	164.247	CAYSMCSUAAGOCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005314
CC(C1CCn2c1cc(n2)C)C	PC-id_138548697,SCHEMBL20903973	164.247	UEJOGMUHDYLHHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005315
CC(C1Cn2c(C1)ncc2)(C)C	PC-id_118424453,SCHEMBL17148640	164.247	YZMRBQLYOPPFJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005316
CCC1Cn2c(C1)nc(c2C)C	PC-id_145301283	164.247	AQNUPIMENZBSHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005317
CC(c1cn2c(n1)CCC2)(C)C	PC-id_59229742,SCHEMBL13424006	164.247	BYZLHTOHTHAXIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005318
CC(c1cn(c2c1CCC2)C)N	PC-id_112489769	164.247	TVLNUBJGEQDHDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005319
CC(c1cnc2n1CCC2)(C)C	PC-id_68056201,SCHEMBL10183038	164.247	INJNGSGHGTWOFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005320
CC(c1cnn2c1CCC2)(C)C	SCHEMBL18179471,PC-id_122646720	164.247	IUWNCHYSCRQVPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005321
CC(c1ncc2n1CCC2)(C)C	PC-id_59825860,SCHEMBL14030309	164.247	HBGUHRPDVWCELC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005322
CC(c1ncn2c1CCC2)(C)C	PC-id_140906855	164.247	VZUNEPRHYBVQBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005323
CC(c1[nH]c2c(n1)CCC2)(C)C	PC-id_142544798	164.247	AZEMAOCWUWPMGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005324
CC(c1[nH]nc2c1CCC2)(C)C	SCHEMBL14030325,PC-id_15770073,SCHEMBL20866436	164.247	HMNGAANMPHIYMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005325
CCc1nn2c(c1)CC(C2)(C)C	PC-id_102105730	164.247	GGLBSDBNMVHCKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005326
CC(c1nn2c(c1)C(CC2)C)C	PC-id_144787186	164.247	UNVNDPOTTUIUQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005327
CC(c1nn2c(c1)CCC2)(C)C	SCHEMBL12622660,PC-id_59229709	164.247	AQRPCXSOGXMSSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005328
CC(c1nn(c2c1CCC2)C)C	SCHEMBL20866435,PC-id_138514709	164.247	QOEJQYJVSHSHRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005329
CC(c1n[nH]c2c1CCC2C)C	PC-id_142345843	164.247	DDXHHWAOCNZKDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005330
CCCc1[nH]c2c(n1)CC(C2)C	PC-id_58834610,SCHEMBL13291944	164.247	NCZKDTLFCUYIMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005331
CCCCC1Cc2c(C1)cn[nH]2	SCHEMBL11216427,PC-id_70540444	164.247	BCGNMTZFYORMJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005332
CCCCC1CCc2c1[nH]nc2	SCHEMBL18733491	164.247	UPJXCYBQXVTLAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005333
CCCCc1[nH]c2c(c1)CNC2	PC-id_144790030	164.247	GPYCNSVGNJWBHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005334
CCCCc1[nH]c2c(n1)CCC2	SCHEMBL18462548	164.247	BPWGFYHMOJDMCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005335
CCCCc1n[nH]c2c1CCC2	PC-id_141880048	164.247	SBQUDOKSJSSZQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005336
CC(C)Cn1cc2CCCc2n1	EMOLS-id_324387929,MCULE-5738441871	164.247	MKRLJDJPRVFNPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005337
CC(C)Cn1ncc2CCCc12	MCULE-5536075300,EMOLS-id_324383838	164.247	ULDMGAHRLAEWAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005338
CC([C@@H]1CCc2c1[nH]cn2)(C)C	SCHEMBL12140397,PC-id_70671914	164.247	ONIPVPLABQZNSB-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005339
CC(C)n1cc2C(C)CCc2n1	PC-id_59050206,MCULE-3309472670,EMOLS-id_331002279	164.247	FBVPUPMSDRGYDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005340
CCCNC1CCc2c[nH]cc12	EMOLS-id_207614797,MCULE-5369423012	164.247	NEPFDMGBSXXLNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005341
CC(C)NC1CCc2c[nH]cc12	EMOLS-id_207614800,MCULE-5682775630	164.247	SCWIQADKLMAVNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005342
C[C@@H]1Cc2c([C@@H]1C)nc(n2C)C	SCHEMBL20021745,PC-id_134391537	164.247	PXGLPIHPHZTKCQ-RNFRBKRXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005343
CC(N1Cc2c(C1)n(cc2)C)C	SCHEMBL19163828	164.247	FPZNOISMPDIKGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005344
CCn1cc2c(n1)C(CC2)(C)C	SCHEMBL12507439,PC-id_68300137	164.247	LOZKSFDAGRZCSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005345
CCN1C(C)c2c(C1C)[nH]cc2	SCHEMBL18931671	164.247	WOUVZRKXWWEZSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005346
CC(n1nc2c(c1)CCC2)(C)C	SCHEMBL18883055	164.247	AURBLPXAGWPTMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005347
CC(n1nc2c(c1C)CCC2)C	SCHEMBL18055554,PC-id_59050189	164.247	JSNIERVAHBLEGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005348
Cn1cc2c(c1)CN(C2)C(C)C	SCHEMBL19164233	164.247	GCBJWLZNPTYICN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005349
Cn1nc(c2c1C(C)(C)CC2)C	PC-id_117865432,SCHEMBL16455023	164.247	ZQITTYBYMNTKPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005350
CNC1C(C)Cc2c1cn(c2)C	PC-id_112714276	164.247	VGHQYAGKBBNJFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005351
CNc1c(C)n(c2c1CCC2)C	SCHEMBL18977468	164.247	YGDMPULACMZQOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005352
CNCc1cc2n(c1C)CCC2	PC-id_97703130	164.247	IVAFBVRPOUIZEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005353
CNCc1cc(c2n1CCC2)C	PC-id_96740422	164.247	YUBIPBDQUMWVAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005354
CNCc1c(C)cc2n1CCC2	PC-id_96740421	164.247	YGXJJKVTACHTTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005355
CNCc1cn(c2c1CCC2)C	PC-id_96736576	164.247	ATBYCRXGIZEQLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005356
CNCc1c[nH]c2c1CC(C2)C	PC-id_112489766	164.247	NTKXENVAJXLVOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005357
CN(C)Cc1ccc2CCCn12	EMOLS-id_38030	164.247	QDOUWUMAUUUPFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005358
CNCCc1ccc2n1CCC2	PC-id_96736569	164.247	FAOWWHKRMNPSML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005359
CNCCc1cn2c(c1)CCC2	PC-id_97703133	164.247	KBUYJDXWGMRPSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005360
CNCCc1c[nH]c2c1CCC2	PC-id_96736577	164.247	UPRRQCJTZJYLLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005361
n12cccc1C(CC2C(C)C)N	PC-id_83635542,MCULE-4667251092	164.247	YEGJIQJYEAVCPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005362
n12CCCc1cc(C(N)C)c2C	MCULE-7667405432	164.247	RHOZONKQYOJZRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005363
n12CC(Cc1nc(c2C)C)(C)C	PC-id_53767533	164.247	DMHPWBSGKPLQLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005364
n12C(CC(N)c1ccc2)CCC	PC-id_83635543	164.247	RQBAZFWCMVWUOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005365
n1(c2c(CCC2)cc1CCN)C	PC-id_83480501	164.247	JUNFRYJBFHAFGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005366
n1(c2c(C(CC2)CCN)cc1)C	PC-id_83480500	164.247	WFVOIJYLGXMUBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005367
n1(c2CCCc2nc1)CCCC	PC-id_19417604	164.247	ZILUMMBCSILDCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005368
n1(c2c(CNC2)cc1C(C)C)C	PC-id_83480499	164.247	KQAUCJQDMUSQTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005369
n1(cc2C(CCc2c1)CCN)C	PC-id_83905447	164.247	NSZVLAAUQAVOBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005370
n1(cc2C(CCc2c1)C(N)C)C	PC-id_83905449	164.247	SQMOYJVYFRJCTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005371
n1(cc2C(CCc2c1)CNC)C	PC-id_83905450	164.247	YNAGLGYNSHTZFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005372
n1(cc2C(N)CCc2c1)C(C)C	PC-id_83905453	164.247	JOOGYZKGFYGSLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005373
N1[C@H](c2[nH]c(cc2C1)C)C(C)C	PC-id_83668420	164.247	DCQHSKVYSSBZOE-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-005374
n1(nc2CC(Cc2c1C)(C)C)C	PC-id_54559112	164.247	ZPGXYECPACDWBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005375
n1(N(C)C)c2c(CCC2)c(c1)C	PC-id_15264256	164.247	BPUDTFMUQLCGHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005376
NCC1C(C)Cc2c1cn(c2)C	PC-id_112714274	164.247	XKGWKROSUYXUBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005377
NCCc1cc2n(c1C)CCC2	PC-id_96633588	164.247	UCEJCGYZQLAJBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005378
NCC(c1ccc2n1CCC2)C	PC-id_112489765	164.247	YCHMABTZGCKUOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005379
NCCc1cc(c2n1CCC2)C	PC-id_96633585	164.247	AXBPJWGWGVGROJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005380
NCCc1c(C)cc2n1CCC2	PC-id_96633586	164.247	UXZMTPIQJROVQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005381
NCCc1cn(c2c1CCC2)C	PC-id_96633587	164.247	WWRIOSIGAAVUQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005382
NCCc1c[nH]c2c1CC(C2)C	PC-id_112489764	164.247	WTXYXVTZFMSGFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005383
NCCCc1ccc2n1CCC2	PC-id_96736570	164.247	FNYIGAGTAFPXJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005384
NCCCc1cn2c(c1)CCC2	PC-id_97703134	164.247	CIEIRTAOICBMME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005385
NCCCc1c[nH]c2c1CCC2	PC-id_96736578	164.247	YELWQBUBPMHIKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005386
[nH]1c2c(CCC2)c(c1C)CCN	PC-id_82596708	164.247	HYJDCGDDJFKTDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005387
[nH]1c2c(CCC2)c(c1C)CNC	PC-id_84764833	164.247	GOBZZRLJOJBTKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005388
[nH]1c2c(CCC2)c(c1C)C(N)C	PC-id_84764845	164.247	WHIYUHHBFTUOHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005389
[nH]1cc2C(CCc2c1)C(CN)C	PC-id_83905446	164.247	SZWYATRZYOZTAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005390
[nH]1cc2C(CCN)C(C)Cc2c1	MCULE-2896598708,PC-id_112714271	164.247	XPSMNNJAFARAEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005391
[nH]1c(C(C)(C)C)cc2c1CNC2	PC-id_82414804	164.247	CGMOOWQOIKVQTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005392
CC1=Cc2c(C1)sc(c2C)C	SCHEMBL1825499,PC-id_21943909	164.267	ZWQUPHPYLURSSE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005394
Cc1cc2c(s1)C(=C(C2)C)C	PC-id_142732334	164.267	ABYNFNJARDVILS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005395
CC1=C(c2c(scc2C1)C)C	PC-id_90933190	164.267	SGHVHSBFJRAXHG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005396
CC1=C(C)c2c(C1C)ccs2	PC-id_142615418	164.267	HHCMRSPHNQFBNV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005397
CC1=C(C)c2c(C1C)scc2	SCHEMBL17996868,PC-id_122470964	164.267	ONIUKKKEQMQZPF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005398
Cc1sc2c(c1)C(=C(C2)C)C	SCHEMBL2915061,PC-id_21880923	164.267	BLHVWYPOQJEOKH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005399
CCC1=CCc2csc(c12)C	PC-id_91073712	164.267	URHUAIKZWOMWRR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005400
CCCc1c2C=CCc2cs1	PC-id_91071387	164.267	GJVHVPZMNPYRDZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005401
s1c2CC(=Cc2cc1CC)C	PC-id_12091675	164.267	DZTVSIMZJRKCCL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005402
s1c2c(CC(=C2)C)cc1CC	PC-id_12091678	164.267	ZSNNPHCOCPOLPM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005403
s1c2c(CC(=C2)C)c(c1C)C	PC-id_20823357	164.267	MCDUVWXJOOPQQV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005404
s1c(c2CC(=Cc2c1C)C)C	PC-id_58129768	164.267	XBUTVWBSGOAHGW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005405
C1C=CC2=C1C=C(S2)C(=O)[O-]	PC-id_153735230	165.002	ICORXKAQEBHARI-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-005406
C1C2=C(C=C1C(=O)N)SC=C2	PC-id_160287807	165.025	LTDSIBITTGUZAC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005407
C1C=CC2=C(SC=C21)C(=O)N	PC-id_153930051	165.025	FZSKGXIWZNECQR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005408
C1C2=C(C(=CN2)C(=O)N)C(=O)N1	PC-id_154467093	165.054	YXHPCVXIPNYRGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005409
C1C2=C(CN1C=O)NN=C2C=O	PC-id_153400694	165.054	XRIKCJAINGBOFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005410
C1COC2=CC(=NN21)CN=[N+]=[N-]	PC-id_162349393	165.065	UAYDDFMEQMFSMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005411
COC(=O)C1=CC=C2N1CCC2	PC-id_153409578	165.079	XQILADIRXFMTGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005412
C[C@H]1c2c(c(nn2C)C)C(=O)N1	PC-id_164047828	165.09	VVVNYHSOVOAMBU-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005413
CC(C)C1N=NC2=CC(=NN12)N	PC-id_153802424	165.101	MOTFFSXIGBAVED-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005414
CC(C)(C)C1=NC2=C(O1)CCC2	PC-id_155038581	165.115	FKGWTLMGSBZWJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005415
CC(C)(C)N1C=C2CCOC2=C1	PC-id_164717003	165.115	RGXWOFOJNCMNKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005416
CC(C)(C)N1CC2=COC=C2C1	PC-id_164717001	165.115	ZJEHWOHZQMVEAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005417
CC1CC2=NN=C(N2C1)C(C)C	PC-id_155157353	165.127	JWLMQOJUNIPMAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005418
CCC1=NN2CCN(C2=C1)CC	PC-id_155170569	165.127	ANNAOZLTNVXUFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005419
CC(C)[C@@H]1C[C@@H](c2ccnn12)N	PC-id_163941189,EMOLS-id_324058108	165.127	RRCIHDWZBOLLKG-CBAPKCEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-005420
CC(C)N1CCC2=C1N(C=N2)C	PC-id_160344255	165.127	KLPZNDRKSZPRCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005421
C[C@H]1CC2=NN=C(N2C1)C(C)C	PC-id_155157702	165.127	JWLMQOJUNIPMAD-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005422
C[C@@H]1CC2=NN=C(N2C1)C(C)C	PC-id_155157958	165.127	JWLMQOJUNIPMAD-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005423
C[C@H]1CCC2=NN=C(N12)C(C)C	PC-id_155157956	165.127	YZFCKYUWDDVPFK-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005424
C[C@@H]1CCC2=NN=C(N12)C(C)C	PC-id_155157961	165.127	YZFCKYUWDDVPFK-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005425
CC1=CC(=O)n2c1ccc2P	PC-id_144206270	165.129	XLIJDRBKLAZBHV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005426
Cc1c2c(c(o1)O)C(=NC2=O)C	PC-id_136018741	165.146	BEQCDMBNPMHEHB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005427
CCN1C(=O)c2c(C1=O)coc2	PC-id_68324232,SCHEMBL12601405	165.146	OWVZTDOLWAEHFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005428
CCN1C(=O)c2c(C1=O)occ2	PC-id_89133586,SCHEMBL13632913	165.146	LTAHKZQOTORXCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005429
o1c2CC(N)C(=O)c2cc1C=O	PC-id_82596719	165.146	LHUAJPLXKPEKHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005430
o1c(c2c(CNC2=O)c1C=O)C	PC-id_82596722	165.146	CUVSAHRWQARIIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005431
O1C(=O)c2n(CC)ccc2C1=O	PC-id_71623189	165.146	XAMDMYNJLHOWQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005432
O=C1c2c([nH]cc2C(=O)O)CC1	SCHEMBL6948324,PC-id_21185195	165.146	DVJALCGJFMMTDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005433
OC1c2n(C(=O)C1)c(cc2)C=O	PC-id_10558973	165.146	VIMNEKWJECFYTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005434
O=C1c2[nH]c(cc2CC1)C(=O)O	SCHEMBL1006834,PC-id_57659840	165.146	HOCJDKCIZQKRMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005435
O=C1Cc2c(C1)cc([nH]2)C(=O)O	SCHEMBL8151458,PC-id_57659846	165.146	VVTBHJPGBFCXPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005436
O=C1CC(C(=O)O)n2cccc12	CNP0237109,PC-id_45082544,SCHEMBL3525123,MCULE-3636412654	165.146	IMIZZCOVJKIYFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005437
O(C1=CC(=O)n2c1c(O)cc2)C	PC-id_54749600	165.146	CCTQMMFCSWADHV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005438
O=C1n2c(CC1)ccc2C(=O)O	PC-id_14759187	165.146	MDBSJAPHCHDMCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005439
O=C1NC(=O)c2c1c(C)oc2C	PC-id_144760356	165.146	SVAKODCVMJTURB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005440
OC(=O)c1cc2C(=O)CCc2[nH]1	MCULE-5212407896,PC-id_44124982,EMOLS-id_44846852,SCHEMBL1004412	165.146	DFPHXLOGIRIMHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005441
OC(=O)c1cn2c(c1)C(=O)CC2	PC-id_112545276	165.146	NUOSNGMSYNPONK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005442
OC(=O)c1[nH]cc2C(=O)CCc12	EMOLS-id_323996321	165.146	DOODPTJJTCIHTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005443
OC(=O)[C@H]1CC(=O)c2n1ccc2	PC-id_92449499	165.146	IMIZZCOVJKIYFE-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005444
OC(=O)[C@@H]1CC(=O)c2n1ccc2	UNPD68483	165.146	IMIZZCOVJKIYFE-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-005445
NC(=O)C1=Cc2c(C1)ncs2	PC-id_144972987	166.2	LKORGJKYRSRHQT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006128
CC1=Nc2n(C1)nc(c2)C(=O)O	SCHEMBL2268935,PC-id_67341624	165.149	JJZQZZZYAGUEEX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005446
Cc1nn2CC(=O)Nc2c1C=O	PC-id_136922889	165.149	ZPPUERWITRQLBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005447
COC(=O)C1=Nn2ccnc2C1	MCULE-7092480022,EMOLS-id_330991159	165.149	PQLYJJSCXYQLGE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005448
O1c2n(c(=O)[nH]c2CC1)CC#N	PC-id_82414718	165.149	MLDYJKJSFQRPHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005449
O1CCn2c1nc(c2N=C=O)C	PC-id_83914359	165.149	SWOBIPJBCVQRSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005450
O1CCn2c(c(nc12)N=C=O)C	PC-id_83914361	165.149	GMOORZAFPFCSGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005451
O=C1NCc2c1ccn2C(=O)N	PC-id_144847955	165.149	KDJNNLDYHJBARS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005452
[O-]C1=NC(=O)n2[n+]1c(cc2C)C	PC-id_14041878	165.149	PGOBVNYPYYBHRJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005453
O=CN1CCn2c1c(C=O)cn2	SCHEMBL5152009,PC-id_17961974	165.149	AWYLFYAYLNOILP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005454
c12N(C)CCn1nc(N=C=O)n2	MCULE-2101416891,PC-id_112716708	165.153	KHLNMMSWGRSUNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005455
C/N=C/1C(=Nn2c1nc(n2)C)O	SCHEMBL10013322,PC-id_20723990	165.153	COQFLDBKWJTZLZ-DAXSKMNVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005456
FC1Cc2n(nc(c2C1)C#N)C	PC-id_83854575	165.168	UAZPCOBZLJXFBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005457
[O-]C(=O)c1nc(c2n1CCC2)C	MCULE-9338162308	165.169	YISULTLGXKXHFC-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-005458
[O-]C(=O)c1nn(c2CCCc12)C	PC-id_42181988	165.169	VJHXHXGIWYIILZ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-005459
[O-]C(=O)c1n[nH]c2C(CCc12)C	PC-id_85458902	165.169	NFQIURPKSWTDGP-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-005460
[O-]C(=O)c1n[nH]c2[C@@H](CCc12)C	PC-id_26599224	165.169	NFQIURPKSWTDGP-SCSAIBSYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-005461
[O-]C(=O)c1n[nH]c2[C@H](CCc12)C	PC-id_26599227	165.169	NFQIURPKSWTDGP-BYPYZUCNSA-M	00000010100000000001000010000000000000000000000000000000	25-01-005462
N#Cc1nsc2c1NCC2=O	PC-id_96633534	165.173	IUONNFNCPSNCSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005463
c1(CC(=O)O)c[nH]c2CCCc12	MCULE-6583701661,PC-id_96633406	165.189	CKGKTZKGGZOWDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005464
c1(C(=O)O)cc2n(CCC2)c1C	PC-id_82596746,MCULE-8846252694,EMOLS-id_70091129	165.189	NNEDXHUQLRZXDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005465
c1(C(=O)O)cc(n2CCCc12)C	MCULE-6608833625,ZINC22_218297807,PC-id_100010814,EMOLS-id_50383228	165.189	GQCAJDFMUAYONW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005466
c1n2CCCc2c(C(=O)OC)c1	PC-id_315252,CoCoCo_5550739,NSC239746,MCULE-9310384227,SCHEMBL20022608,EMOLS-id_324120786,ZINC22_5352725,LI_173360	165.189	WBBKAILMWXVGMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005467
CC1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_44125252,SCHEMBL1004208	165.189	COROBWZPMUHJNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005468
CC1Cc2c(C1C(=O)O)c[nH]c2	PC-id_112714281	165.189	DLUCQYWTSMNREY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005469
Cc1cc2c([nH]1)C(CC2=O)CO	SCHEMBL17268385,PC-id_118520366	165.189	ZGGZSSWLFKZJSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005470
CC1CCc2c1cc([nH]2)C(=O)O	PC-id_44125113,SCHEMBL1004381	165.189	UWSIKLXBYCULLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005471
CC1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL1007335,PC-id_50898813	165.189	JHPSWFLZUXYYTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005472
CCC[C@@H]1C(=O)Oc2n1ccc2	PC-id_93495440	165.189	KCDKEGDAXKSYEZ-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005473
CCC[C@H]1C(=O)Oc2n1ccc2	PC-id_93495441	165.189	KCDKEGDAXKSYEZ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005474
CCCn1cc2c(c1)COC2=O	PC-id_102236441	165.189	ZJRUDMOLTLWGEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005475
C[C@H]1Cc2c(C1)cc([nH]2)C(=O)O	SCHEMBL8163947,PC-id_57659829	165.189	COROBWZPMUHJNW-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005476
C[C@H]1CCc2c1cc([nH]2)C(=O)O	PC-id_57659875,SCHEMBL12777380	165.189	UWSIKLXBYCULLG-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005477
C[C@@H]1CCc2c1[nH]c(c2)C(=O)O	PC-id_57659937,SCHEMBL12777364	165.189	JHPSWFLZUXYYTJ-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005478
CC(N1Cc2c(C1=O)cco2)C	SCHEMBL13850167,PC-id_57698737	165.189	NOXNRXFMAFJUSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005479
CC(=O)C1CCc2c1onc2C	SCHEMBL11983392,PC-id_57907507	165.189	PPAYRUVWMZXASY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005480
Cn1cc2CCC(C(=O)O)c2c1	PC-id_83905455,EMOLS-id_323995297	165.189	VMPYMHAFBPESEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005481
COC1CCc2c1[nH]c(c2)C=O	PC-id_144126384	165.189	RANBIZYJAQUYRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005482
COc1cc(n2c1CCC2)C=O	PC-id_96633413	165.189	DUFMNEJCHPVXDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005483
COC1C(C)n2c(C1=O)ccc2	SCHEMBL10903503,PC-id_23311601	165.189	IMQBBPGUBUSTSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005484
COC(=O)C1CCn2c1ccc2	SCHEMBL9383168,PC-id_12795075	165.189	RCYRFVQGTJTDQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005485
COC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_97227751	165.189	SLMORXXEVVZEMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005486
[nH]1cc2CCCc2c1C(=O)OC	MCULE-6594349744	165.189	WFESXAMYAVMFPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005487
o1c2CCCc2cc1C(=O)CN	PC-id_82596754	165.189	VTSACCDUVXRXNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005488
o1c2CCN(c2cc1C(=O)C)C	PC-id_82414664	165.189	HKRPTLAUQXPZOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005489
O1c2n(C(CCC)C1=O)ccc2	PC-id_45082554	165.189	KCDKEGDAXKSYEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005490
O1[C@H](n2c(C1=O)ccc2)C(C)C	PC-id_26793307	165.189	ZIDQIIBMGISHQH-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005491
O1[C@@H](n2c(C1=O)ccc2)C(C)C	PC-id_26793308	165.189	ZIDQIIBMGISHQH-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005492
O1C(n2c(C1=O)ccc2)C(C)C	PC-id_11344197	165.189	ZIDQIIBMGISHQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005493
o1nc2c(CCC2)c1CC(=O)C	PC-id_83858706	165.189	HLMBSQMQOSQSPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005494
o1nc(c2c1CCC2=O)C(C)C	PC-id_83861266	165.189	PDCOHPZRZNIAAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005495
o1nc(c2CCCc12)CCC=O	PC-id_45099276	165.189	MXZTXQITRLFKFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005496
O=C1c2n(CC1)ccc2COC	PC-id_85774443	165.189	YXKFDLNXQDTJCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005497
O=C1C(c2n(C1)ccc2)CCO	SCHEMBL547761,PC-id_66721976	165.189	VLGHZEBQFRQLTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005498
OC1Cc2[nH]c(c(c2C1=O)C)C	PC-id_15324804	165.189	ZHXDZRKZUBGCHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005499
OCc1c2n(cc1CO)C=CC2	PC-id_57219869	165.189	LQRJHMVSHMXZAI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005500
O=Cc1cc(n2c1C(O)CC2)C	PC-id_112489762	165.189	HWXAXUXFWBLFEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005501
OC(=O)c1c2c(n(c1)C)CCC2	PC-id_82596749	165.189	MIKRRBAUIFORIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005502
OC(=O)c1c2c([nH]c1C)CCC2	PC-id_13450046	165.189	TWPGTDUSMITUSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005503
OC(=O)C1(C)CCn2c1ccc2	SCHEMBL10814566,PC-id_54209483	165.189	PUXPGWCMNBQBRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005504
O(C(=O)C1Cn2c(C1)ccc2)C	PC-id_13487089	165.189	OLIDDWOINYVFDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005505
O(C(=O)c1cn2CCCc2c1)C	PC-id_11084232	165.189	OCXCMHKVMJVWDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005506
OC(=O)c1n2CCCc2cc1C	PC-id_82414699	165.189	LTZBUIADVOPVKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005507
OC(=O)c1n2c(CCC2)c(c1)C	PC-id_82596748	165.189	HYVKDIBARRYOKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005508
OC(=O)c1n(c2CCCc2c1)C	PC-id_83670486	165.189	ZZZBMYYLOGFZNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005509
OC(=O)c1n(cc2c1CCC2)C	PC-id_83480530	165.189	VFLOPHXRGZHUPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005510
OC(=O)c1[nH]c2c(c1C)CCC2	SCHEMBL8153549,PC-id_57659974	165.189	JKIOQBVNUSUTLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005511
OC(=O)c1[nH]c(c2c1CCC2)C	PC-id_19388578,SCHEMBL8740908	165.189	RSHQOZUASWAODG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005512
OC(=O)CC1CCc2c1c[nH]c2	PC-id_83905454	165.189	XKBQLRZPPSUFKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005513
OC(=O)CC1CCn2c1ccc2	PC-id_83635564	165.189	VWYXNANXMRKECP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005514
OC(=O)CC1Cn2c(C1)ccc2	PC-id_22156586,SCHEMBL10385443	165.189	KYMONTKKMYVEBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005515
OC(=O)Cc1cn2c(CCC2)c1	PC-id_82596747	165.189	UUXSYFIJJYNZGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005516
OC(=O)CC1n2c(CC1)ccc2	PC-id_12379769	165.189	LECRFBHPBDBDDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005517
OC(=O)Cc1n2CCCc2cc1	PC-id_82414653	165.189	JEHUZTDLHFLDCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005518
OC(=O)Cc1[nH]c2c(CCC2)c1	PC-id_82596765	165.189	PCYDDTRQANZUAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005519
OC(=O)n1cc2c(c1C)CCC2	SCHEMBL8740909,PC-id_54013481	165.189	KTZPPWMCHLYJRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005520
c12CN(Cc1nn(C)c2C=O)C	PC-id_112711154,MCULE-8704672304,EMOLS-id_317875445	165.192	WPGJDTBUIQLDCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005521
c12CNCc1nn(CC)c2C=O	MCULE-6218019592,EMOLS-id_324349029,PC-id_105432706	165.192	BLEDPWMLBXLXHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005522
C1C(=Cc2c1[nH]c(=O)[nH]2)CCN	PC-id_137483798,SCHEMBL20726093	165.192	IWARLVDXNKLXBO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005523
c1(CC(=O)C)nnc2CCCn12	MCULE-6798633174,EMOLS-id_50075328,PC-id_66489708	165.192	DODUATKIMZBGGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005524
c1(C(=N)N)c2CCCc2oc1N	PC-id_136301816,MCULE-8682739262	165.192	XZKTYQVRBFQDFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005525
c1(C=NO)c2CCCc2nn1C	EMOLS-id_324392530,MCULE-2247413321	165.192	LKXFYLBVQCUCOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005526
c1(C(=NO)C)cnn2CCCc12	MCULE-4710710549	165.192	GROWCORLRANUOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005527
c1(C(=O)NC)c2CCCc2n[nH]1	SPECS-id_AN-153/KC16176,PC-id_44229278,SCHEMBL16629830,MCULE-9594932073,ZINC22_40447804,SPECS-id_AT-084/J179319,TIMTEC468375,EMOLS-id_30100331,CHEMBL4587912,EMOLS-id_43298792	165.192	TYDCMCXSYOEORK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005528
c1(C(=O)N)[nH]nc2CCC(C)c12	MCULE-8099330433,EMOLS-id_330958787	165.192	NPXZMCDWEUAFCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005529
Cc1nc2c([nH]1)CN(C2)C(=O)C	PC-id_89583813,SCHEMBL14970360	165.192	DHPLGQHSRLQORJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005530
Cc1nnc2n1C(CC2)C(=O)C	PC-id_57907503,SCHEMBL11983447	165.192	LQOIVPHUOLZQFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005531
CC(c1nc2c([nH]1)CNC2=O)C	SCHEMBL15152368,PC-id_89723225	165.192	PVINEHHUHFJWQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005532
CC(c1[nH]nc2c1CNC2=O)C	SCHEMBL14993657,PC-id_89601399	165.192	VRAYNZVWSIGUAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005533
CC(c1nn2c(c1)CNC2=O)C	PC-id_59315181,SCHEMBL13330914	165.192	GKASJOVRTJCQOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005534
CC(c1nn2c(c1)C(=O)NC2)C	PC-id_59315427,SCHEMBL13330916	165.192	IYGPIHRVRJSCEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005535
CCCC1c2c(C(=O)N1)[nH]nc2	PC-id_137347717	165.192	YMQFBIGETBHNMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005536
CCCn1cc2c(n1)C(=O)NC2	PC-id_141099262	165.192	RMAXZRRMDQELEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005537
CC(C)n1cc2CNC(=O)c2n1	PC-id_89601151,SCHEMBL14993288	165.192	PHWDRNYYYYOZEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005538
CCCn1cnc2c1CNC2=O	PC-id_141374686	165.192	VGFBTEJYXZHZNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005539
CC(C)n1cnc2c1CNC2=O	SCHEMBL15141888,PC-id_89714758	165.192	MPVSSIKSJPUDOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005540
CCC(=O)c1nn2CCCc2n1	PC-id_137412528,SCHEMBL20645939	165.192	QPBZQYSIOTYHDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005541
CCC(=O)N1Cc2c[nH]nc2C1	ZINC22_144684880,SCHEMBL19722672,MCULE-6943433301,PC-id_69193475,EMOLS-id_97201093,SCHEMBL4794247	165.192	RFRZTGGDEMGZHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005542
CCC(=O)N1CCn2c1ccn2	EMOLS-id_114388797,PC-id_85562568	165.192	OLPFQJYZTPVFIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005543
C[C@@H]1CCc2c1[nH]nc2C(=O)N	PC-id_143228790	165.192	NJBKSCWAJWTCEC-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005544
CCN1Cc2c(C1)[nH]nc2C=O	SCHEMBL18317894	165.192	NNONWARIJHVSNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005545
CCN1Cc2n(C1=O)c(nc2)C	PC-id_66806203,SCHEMBL805473	165.192	BVUQNUHTHXJOKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005546
CC(N1Cn2c(C1=O)ncc2)C	SCHEMBL6510074,PC-id_69806869	165.192	OOQXUDKZAVJYHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005547
CCn1nc2c(c1C)CNC2=O	PC-id_141428179	165.192	UCQRYSBBYSWEGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005548
CCn1nc(c2c1CNC2)C=O	PC-id_105432700	165.192	YIPFOGVKBYPWLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005549
CCn1nc(c2c1C(=O)NC2)C	PC-id_141428181	165.192	DOBBDKPOYMTDAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005550
C/C(=NO)/c1cc2CCCn2n1	EMOLS-id_317870065	165.192	YAWRYZWEHPRUFQ-UXBLZVDNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005551
C/C(=NO)/c1cnn2CCCc12	EMOLS-id_317869553	165.192	GROWCORLRANUOO-UXBLZVDNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005552
CC(=O)C1CCn2c1nnc2C	PC-id_57907638,SCHEMBL11983378	165.192	KZSQPDRDIFJKRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005553
CCOc1nn2c(c1)N=C(C2)C	PC-id_67342333,SCHEMBL2270983	165.192	KSZBTCDATWYNSV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005554
CC(=O)N1Cc2c(C1)c([nH]n2)C	SCHEMBL16123821,PC-id_117611714	165.192	ZNPQYCWZXFWVAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005555
CC(=O)N1Cc2c(C1)n(nc2)C	SCHEMBL18724947	165.192	QRUVFPRYRCEDTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005556
CC(=O)NC1Cc2c(C1)cn[nH]2	PC-id_20785003,SCHEMBL13373448	165.192	XTFPINAJJYCCNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005557
CC(=O)NC1Cn2c(C1)cnc2	PC-id_141225567	165.192	DKTYHTIAYAQOPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005558
CC(=O)Nc1cnn2c1CCC2	SCHEMBL12209161,PC-id_58464833	165.192	ISWAAMLKDPBENY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005559
Cn1c2c(CCC2)c(n1)C(=O)N	SCHEMBL20673862,PC-id_137437044	165.192	PKXYJXCLQAVGJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005560
CN1C(C)c2c(C1=O)[nH]nc2C	PC-id_68043882,SCHEMBL10136031	165.192	JRJCFMPBJXJSPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005561
CN1CCn2c1cc(n2)C(=O)C	PC-id_96849559	165.192	MIBZTROYMJPCIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005562
Cn1nc(C=NO)c2CCCc12	EMOLS-id_324389464,MCULE-3622637431	165.192	SAAZKYBPMCQODV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005563
CNC(=O)c1nn2c(c1)CCC2	PC-id_141105798	165.192	FHMFFBIYNZHKRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005564
n1n2CCCc2cc1C(=NO)C	MCULE-8103224588	165.192	YAWRYZWEHPRUFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005565
NCC(=O)c1n[nH]c2CCCc12	PC-id_84652104,MCULE-7063071404,EMOLS-id_313486828	165.192	PTLNPHNGPXEDPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005566
NC(=N)n1c(O)cc2c1CCC2	PC-id_145028306	165.192	OXEJNLSGGIRCIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005567
NC(=O)C1=c2scnc2=C[CH]1	SCHEMBL15903510	165.192	ITQNXAAAMYQYRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005568
NC(=O)C1Cc2c(C1)n(cn2)C	PC-id_141349874	165.192	DAPIBJCYYOSVDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005569
NC(=O)C1CCc2n1cnc2C	PC-id_140600354	165.192	NWPAHNKWRRTWKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005570
NC(=O)c1nn2c(c1C)CCC2	PC-id_141105793	165.192	ZYISPBNQOJPWBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005571
O=C1c2c([nH]nc2CCN)CC1	PC-id_83863445	165.192	MGTWQWOXKUKKBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005572
O=C1c2c([nH]nc2CNC)CC1	PC-id_83863447	165.192	XHFUXRPMXQTYDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005573
O=C1c2c(n(nc2CN)C)CC1	PC-id_83863444	165.192	YFDBSZGRFLJQLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005574
O=C1c2c(nn(c2CN)C)CC1	PC-id_83863662	165.192	IEIVCKNOFDUPML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005575
O=C1c2n(nnc2CC1)C(C)C	PC-id_83873335	165.192	XFOKNTFTWJNTET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005576
O=C1CCc2n(nnc12)C(C)C	PC-id_83873336	165.192	BIAUOLWPGNIBJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005577
O=C1C(C)n2c(N1C)ncc2C	PC-id_68328975,SCHEMBL12616723	165.192	WBZOZBNRDIZBCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005578
O=C1NCc2c1cn(n2)C(C)C	PC-id_141104132	165.192	CMJQYVGPQRCNBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005579
O=C1NC(c2c1nn(c2)C)(C)C	PC-id_82652411	165.192	NBMSSTXPWHQUKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005580
O=C1NC(c2n(nc(c12)C)C)C	PC-id_12765495	165.192	VVVNYHSOVOAMBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005581
O=C(c1n2CCCc2cn1)CN	PC-id_82652408	165.192	MFQVPVHIRDBETM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005582
O=C(c1n2CCCc2nc1)CN	PC-id_82596792	165.192	JRAVTIDRUGYSKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005583
O=C(c1nc2n(CCC2)c1)CN	PC-id_82596793	165.192	XIGBIDCQIODVBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005584
O=C(c1[nH]c2CCCc2n1)CN	PC-id_84731578	165.192	AKTFLMIWALCNCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005585
O=C(c1nn2CCCc2c1)CN	PC-id_82652409	165.192	OIVPHORELRXQQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005586
O=C(c1nn2c(CCC2)c1N)C	PC-id_20744112	165.192	BFDACYSFRXXGHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005587
O=Cc1nn(c2CN(Cc12)C)C	PC-id_83863021	165.192	SEDKWNCLUZLXPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005588
O=C(Cc1nn2CCCc2n1)C	PC-id_82596795	165.192	IRYJRLNZXNWMEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005589
O=C(Cc1n[nH]c2CCNc12)C	PC-id_82414583	165.192	QKVNOPHFEBRVGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005590
O=C(Nc1[nH]c2CCCc2n1)C	PC-id_10080727	165.192	RHCXVLKPJFPUCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005591
O=C(NN)c1n2CCCc2cc1	PC-id_85693154	165.192	AGWFHRWVLHORCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005592
c1(NC(=N)N)[nH]c2c(CCC2)n1	PC-id_45589257,MCULE-2644867223,ZINC22_40175500,EMOLS-id_31521331,SPECS-id_AN-153/NB22315	165.196	VLXFAYUNHICGKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005593
CCC1N=Nc2n1nc(c2N)C	PC-id_69731992,SCHEMBL6282859	165.196	BVJPUDWJCVHVEB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005594
CC(C1N=Nc2n1ncc2N)C	SCHEMBL6284123,PC-id_69732325	165.196	WTBIVCGELFIPOX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005595
n12CCCc1nnc2CC(=N)N	PC-id_83676863	165.196	ZJCOFUKMSRSLPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005596
n12nc(nc1CCC2)CC(=N)N	PC-id_83676334	165.196	ZJPIEERIQBKRNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005597
N1(CCn2nc(cc12)C(=N)N)C	PC-id_83677844	165.196	UVQXBICTASCCSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005598
NCCC1N=Nc2n1nc(c2)C	SCHEMBL19547313	165.196	CMAUAFKFOJPMPY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005599
C1C=Cc2c1sc(c2)C(=O)N	PC-id_134346894,SCHEMBL19971509	165.212	ZMVJFAZFAIULJV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005600
CC1=CC(=O)n2c1ccc2S	PC-id_144206280	165.212	JIYSAZUNDNKGCL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005601
Cc1csc2c1C(=O)N=C2C	PC-id_121439705,SCHEMBL17873727	165.212	QSGVCHVRTOXJRL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005602
O=C1N=Cc2c1c(C)c(s2)C	SCHEMBL17873726,PC-id_121439704	165.212	AFHNGWZEPKUHBE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005603
O=C1N=Cc2c1c(C)sc2C	SCHEMBL17339807,PC-id_118579464	165.212	FOKSRJHCBVBDMR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005604
O=C=Nc1sc2c(c1)CCC2	PC-id_24696956,EMOLS-id_37401937	165.212	WZSCCAVRBIEXKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005605
s1c2c(CC=C2)cc1C(=O)N	PC-id_57487259	165.212	JKGDWXGSOJZOAN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005606
s1c2=C[C@@H](N=c2cc1)C(=O)C	PC-id_51372354	165.212	QLJGLJPNQURFAS-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005607
s1c2=CC(N=c2cc1)C(=O)C	PC-id_75634153	165.212	QLJGLJPNQURFAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005608
s1c2NC(=O)C(=CC)c2cc1	PC-id_59043163	165.212	IDWQFRLESDXSGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005609
c12CSCc1nn(C)c2C#N	PC-id_105432757,EMOLS-id_317872374,MCULE-4549965726	165.216	KCFXGEQXYYGHCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005610
C1Cc2c(C1C#N)sc(n2)N	SCHEMBL15903532,PC-id_90303417	165.216	XOCZYLIPROJGMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005611
c1(C#N)c2CNCc2sc1N	EMOLS-id_331065388,MCULE-6618318068	165.216	PTVOUCUFMXCBGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005612
Cc1nc2SCCn2c1C#N	LI_187471,CoCoCo_5604943,PC-id_333048,NSC332758	165.216	YZVQPOXQTBOFSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005613
CC[N+]1(CC)C=Nc2n1cnc2	SCHEMBL5193166,PC-id_69348535	165.216	OJNCVTBBSOIRBC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005614
[n+]12N=C(Cc1n(nc2C)CC)C	PC-id_22944533	165.216	RUVSVUPKGONRCJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005615
N#Cc1nn(c2c1CSC2)C	PC-id_105432755	165.216	LITQZRGONIUMSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005616
N#CNc1sc2c(n1)CCC2	EMOLS-id_107541346,PC-id_104185373	165.216	PEILPOYJIKGOML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005617
s1c2=CC=Nc2cc1=C(N)N	PC-id_83677481	165.216	WZYVDIAKBRIMFH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005618
s1c2C(=C(N)N)C=Nc2cc1	PC-id_83677482	165.216	DHYKKWROOFKOHT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005619
S1c2n(cnc2CC1)CC#N	PC-id_82414554	165.216	QVIHSIJRHORODP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005620
S1c2n(nc(c2)CC#N)CC1	PC-id_84764939	165.216	ULOFPXMTIAUPDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005621
S1c2n(nc(c2)C[N+]#[C-])CC1	PC-id_83480567	165.216	FTBNDVHYJVSVLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005622
S1Cc2c([nH]nc2CC#N)C1	PC-id_82414545	165.216	LMNMTXZBFYRPEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005623
S1CCn2c1nc(c2)CC#N	PC-id_82414556	165.216	QFQFWLIVSUXFAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005624
S1CCn2c1nc(c2)C[N+]#[C-]	PC-id_83480566	165.216	APZOCEWOMBHANN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005625
S1CCn2c(cnc12)CC#N	PC-id_84764941	165.216	RHBKPJWWBLJKJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005626
S1CCn2c(cnc12)C[N+]#[C-]	PC-id_83480569	165.216	XKMNSRYNFOZRSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005627
c12C(N)CC(C)(C)c1oc(C)c2	EMOLS-id_42799145,MCULE-2981640469,PC-id_102533929	165.232	XNHPZOUELLZHKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005628
c12cnoc1C(CC2(C)C)(C)C	MCULE-4506171571,ZINC22_575422954,EMOLS-id_75547926	165.232	DSJCXUONBWTRKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005629
C1Cc2ccc(n2C1)CCCO	PC-id_85882461	165.232	JZNSJQUKBXARAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005630
c1(CNC)c(C)oc2CCCc12	PC-id_83610120,MCULE-5015003756	165.232	NHECAWJIBVFHBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005631
CC1Cc2c(C1CCN)cco2	PC-id_112714287	165.232	WJGQZCZVXVIZFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005632
CC1Cc2c(C1CCN)coc2	PC-id_112714286	165.232	ZBJKKEZRLUYPQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005633
CC1Cc2c(C1CNC)cco2	PC-id_112714293	165.232	BYBWJOZVLGAHLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005634
CC1Cc2c(C1CNC)coc2	PC-id_112714292	165.232	UHDBWFAAVJSFLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005635
Cc1cc2c(o1)C(C)(C)C[C@@H]2N	ZINC22_57347077	165.232	XNHPZOUELLZHKQ-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005636
Cc1cc2c(o1)C(C)(C)C[C@H]2N	ZINC22_57347080	165.232	XNHPZOUELLZHKQ-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005637
CC1(CC(c2c1nco2)(C)C)C	SCHEMBL14078324,PC-id_89242515	165.232	RQWJSMAODCBHSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005638
CC1(CC(c2nocc12)(C)C)C	PC-id_89207373,SCHEMBL13953039	165.232	BISCDRVPGYNDPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005639
CCc1cc2c(o1)C(C(C2)C)N	PC-id_112714308	165.232	KFHDLFAUXGYLFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005640
CC(C1CCc2c1onc2C)C	PC-id_58125050,SCHEMBL12862779	165.232	VNGKEBZRPWAJKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005641
CC(C1C(C)Cc2c1cco2)N	PC-id_112714290	165.232	ZTKTWIBGCYJTTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005642
CC(C1C(C)Cc2c1coc2)N	PC-id_112714289	165.232	ZHRUXRDWIMRXSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005643
CC(C1C(C)Cc2c1occ2)N	PC-id_112714288	165.232	DLSCIJOLMYILBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005644
CC(c1ccn2c1OCC2)(C)C	SCHEMBL18418856	165.232	ZKGRPVSIAWBZIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005645
CCc1noc2c1[C@H](C)C[C@@H]2C	PC-id_121345538,SCHEMBL17761902	165.232	QJWONXWUTYLVOW-RQJHMYQMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005646
CC(c1onc2c1CCC2)(C)C	PC-id_59825879,SCHEMBL14030259	165.232	QWRLQAYTRURCCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005647
CCC(c1onc2c1CCC2)C	PC-id_142903026	165.232	PGLMUEVTUOSPEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005648
CC(C)(C)c1coc2CNCc12	EMOLS-id_208098434,MCULE-4061623624	165.232	ZLFDVYHVKPNXCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005649
CCC(C)c1coc2CNCc12	EMOLS-id_208098467,MCULE-5016576132	165.232	CCIXJZIERXEMOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005650
CNC1C(C)Cc2c1cc(o2)C	PC-id_112714303	165.232	BJZNNXRGXZHQGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005651
CNC1C(C)Cc2c1oc(c2)C	PC-id_112714300	165.232	OQHBOJDCOOYZJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005652
CNCC1C(C)Cc2c1occ2	PC-id_112714291	165.232	AMKOWXJVBHCRLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005653
NCC1C(C)Cc2c1cc(o2)C	PC-id_112714298	165.232	UVLDWCUKYCKZLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005654
NCCC1C(C)Cc2c1occ2	PC-id_112714285	165.232	POVDMKARSQTPMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005655
o1c2c(CCC2)cc1CCCN	PC-id_82596837	165.232	KNUWYDPUHXCMHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005656
o1c2c(CCC2)c(c1C)CCN	PC-id_82596857	165.232	JWLROVLTUMDPCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005657
o1c2c(CCC2)c(c1CC)CN	PC-id_83610215	165.232	KONRMBYNWNWWHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005658
o1c2C(CCc2cc1C)CCN	PC-id_83905463	165.232	XONZBXVUWHMVOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005659
o1c2C(CCc2cc1CC)CN	PC-id_83905479	165.232	LUWPCBYPTSXOSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005660
o1c2c(CCC2)cc1CCNC	PC-id_82596836	165.232	RKPIASAEGILSQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005661
o1c2c(CCC2)cc1C(CN)C	PC-id_82596838	165.232	SHQFBSMQQNEQOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005662
o1c2C(CCc2cc1C)C(N)C	PC-id_83905467	165.232	IRVFQKMMWGDUJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005663
o1c2C(CCc2cc1C)CNC	PC-id_83905472	165.232	UTSXKTYTIGWDIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005664
o1c2c(CCC2)cc1C(N)(C)C	PC-id_82596839	165.232	NKSZVEHSBIZDNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005665
o1c2c(CCC2)c(C(N)C)c1C	PC-id_83610189	165.232	RCDJFOPTVSQFPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005666
o1c2c(C(CC2)CCN)cc1C	PC-id_83905465	165.232	XHLAWUNQUSGHPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005667
o1c2c(C(CC2)CN)cc1CC	PC-id_83905476	165.232	VLXOZGIEYDYLII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005668
o1c2c(C(CC2)C(N)C)cc1C	PC-id_83905470	165.232	XLEPLKTWKXKRLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005669
o1c2c(C(CC2)CNC)cc1C	PC-id_83905475	165.232	OTBFXJPXGDJPSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005670
o1c2CC(C(c2nc1C)C)(C)C	PC-id_54040658	165.232	LMBVEUKZBNPCQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005671
o1c2CC(C)C(N)c2cc1CC	PC-id_112714309,MCULE-2173772133	165.232	QZKQSJYJROZADM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005672
o1c2c(C(C(CN)C)CC2)cc1	PC-id_82414534	165.232	FGRBLERFNHAARZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005673
o1c2C(C(CN)C)CCc2cc1	PC-id_83905461	165.232	UTRHLHMHDAHXMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005674
o1c2c(C(N)CC2)cc1C(C)C	PC-id_83905487	165.232	OFYXZDXZOGVYGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005675
o1c2c(C(NC)CC2)cc1CC	PC-id_83905482	165.232	IEFRSZGUFLTXJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005676
o1c2c(C(NC)(CC2)C)cc1C	PC-id_82596866	165.232	JUJMMLUSDPPBGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005677
o1c2C(CN)C(C)Cc2cc1C	PC-id_112714295,MCULE-9937805282	165.232	OCBFMFPERJBASU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005678
o1c2C(N)CCc2cc1C(C)C	PC-id_83905485	165.232	XYDFCVWUGQBCSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005679
o1c2C(NC)CCc2cc1CC	PC-id_83905481	165.232	JATPNWJLKQJMSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005680
o1cc2C(C(CN)C)CCc2c1	PC-id_83905460	165.232	WXEFTGOGRWGYHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005681
o1c(C(C)(C)C)cc2c1CNC2	PC-id_84652197	165.232	STYYAAWTHCIOEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005682
OCCc1c2c(n(c1)C)CCC2	PC-id_83674266	165.232	AYAMTGDDXYBEKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005683
c12CC(C)C(CN)c1c(C)n[nH]2	PC-id_112714314,MCULE-3247122798	165.235	LTAKZBGVSWXSFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005684
CCC1CCc2c1[nH]nc2NC	PC-id_116177035,EMOLS-id_96447572	165.235	JSGUPJRAARJWOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005685
CC(C1Cn2c(C1)nnc2)(C)C	SCHEMBL18775095	165.235	KLPFWTUIOPNTJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005686
CC(c1cn2c(n1)CCC2)(N)C	PC-id_96633276	165.235	MDOOWPMQQDBRQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005687
CCC1NC(c2c1[nH]cn2)CC	SCHEMBL3268290,PC-id_68574826	165.235	PCPXSWNDXVWIRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005688
CC(c1nn2c(c1)N(CC2)C)C	SCHEMBL14925544,PC-id_89548620	165.235	KCSMRKARNBRNIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005689
CCC(c1ccn2c1NCC2)N	PC-id_112489746	165.235	BJOSQAGZGJXQTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005690
CC(C)[C@H]1C[C@@H](N)c2ccnn12	EMOLS-id_336479078	165.235	RRCIHDWZBOLLKG-VXNVDRBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005691
CC(C)[C@@H]1C[C@@H](N)c2ccnn12	EMOLS-id_336479334	165.235	RRCIHDWZBOLLKG-APPZFPTMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005692
CC(C)[C@H]1C[C@H](N)c2ccnn12	EMOLS-id_336480358	165.235	RRCIHDWZBOLLKG-IONNQARKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005693
CCCCN1Cc2c(C1)c[nH]n2	PC-id_67978378,SCHEMBL9945697	165.235	UVAQVCJTCMNPHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005694
CC(C)(C)N1Cc2c(C1)nc[nH]2	PC-id_89117490,SCHEMBL13562725	165.235	BIEYPTFVFHRPHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005695
CC(C)n1c2c(CN(C2)C)cn1	PC-id_89053573,SCHEMBL13283461	165.235	GUVZOTPXFYTWEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005696
CC(N1Cc2c(C1)c[nH]n2)(C)C	SCHEMBL19203378,SCHEMBL13322632,PC-id_59332414	165.235	WJUCOFLFQSEHDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005697
CCN1Cc2c(C1)c(n[nH]2)CC	SCHEMBL19413325	165.235	AWIWKRWSLPPKPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005698
CC(N1Cc2c(C1)[nH]nc2C)C	PC-id_57931363,SCHEMBL13256451	165.235	MVQAKGMBTFSPDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005699
CC(N1Cc2c(C1)n(nc2)C)C	PC-id_57601395,SCHEMBL9963136	165.235	VHHONYDQWBBJMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005700
CCn1nc2CCCc2c1CN	PC-id_105432843,EMOLS-id_70118678,MCULE-5755802376	165.235	YLHJNNSNUYYSRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005701
CCNC1CC(n2c1ncc2)C	EMOLS-id_96772047	165.235	IFNXXZSHYIBRQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005702
CNC1CCc2c1c(C)n(n2)C	PC-id_112714323	165.235	RBZGJCWSKRPYLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005703
CNc1[nH]nc2c1CCC2(C)C	PC-id_79862942,EMOLS-id_42571347	165.235	AEJCASQYXFPIAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005704
n12c(C(CC1)CCN)c(nc2)C	PC-id_82414435	165.235	ZQBSEFAITVQROK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005705
n12CCCc1cnc2CCNC	PC-id_82652459	165.235	IMECPTQJNLCAEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005706
n12CCC(NC)c1nc(c2C)C	PC-id_83826840	165.235	TYHHMLHGYWZLJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005707
N1Cc2c(n[nH]c2C1)C(C)(C)C	PC-id_83845835	165.235	WVQBRPFVSSWCBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005708
N1Cc2c(n[nH]c2C1)CC(C)C	PC-id_83845836	165.235	DMPDIWRQOAURTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005709
n1(nc2c(C(CC2)CCN)c1)C	PC-id_83905491	165.235	KHGRWGOBJRYBSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005710
n1(nc2c(C(CC2)CN)c1C)C	PC-id_83905498	165.235	YINYTEHBUIKSDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005711
n1(nc2c(C(CC2)C(N)C)c1)C	PC-id_83905495	165.235	BEJFSRJOHDYIOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005712
n1(nc2c(C(CC2)CNC)c1)C	PC-id_83905497	165.235	UCYZIZCHFOFVHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005713
n1(ncc2c1C(N)CC2)C(C)C	PC-id_83873384	165.235	LJZQKNUWFQEQGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005714
n1(nc(c2C(CCc12)CN)C)C	PC-id_83861591	165.235	JFXXXFCCPPPCRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005715
n1(nc(c2C(N)CCc12)CC)C	PC-id_83861560	165.235	TVLQWBNCDDNJTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005716
n1(nc(c2C(NC)CCc12)C)C	PC-id_83861586	165.235	SPHBTEYUSOJFSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005717
N(C1CCc2[nH]nc(c12)CC)C	PC-id_83861613	165.235	UVRJJJCYOMLNDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005718
N#CC[n+]1csc2c1CCC2	PC-id_9855766,SCHEMBL14508393	165.235	SMPQENVQFSVAKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005719
[nH]1nc(c2C(N)CCc12)C(C)C	PC-id_83861650	165.235	KNOXDABVYZNRBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005720
c12C(C)CCc1n(nc2N)CC	MCULE-9568224800,EMOLS-id_330968304	165.236	MISCKGKKMGASHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005721
c12C(C)CCc1nn(CC)c2N	MCULE-3283663695,EMOLS-id_331014563	165.236	IGTKNSRWHIECHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005722
c12CC(C)C(N)c1c(C)nn2C	PC-id_112714329,MCULE-6880371672	165.236	OWQNMCVPTFWHJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005723
c12C(N)CCc1[nH]nc2CCC	EMOLS-id_50074228,MCULE-5845619970,PC-id_66489516	165.236	UAUYEMMTQJBVKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005724
c12C(N)CCc1n(nc2)C(C)C	PC-id_83861435,MCULE-4812812360,EMOLS-id_46440445	165.236	XTUIXWMUUZJCDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005725
NC(=O)c1cc2c(s1)N=CC2	PC-id_145832498	166.2	FKKNTXRZMIZJDE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-006129
c12C(NC)CCc1n(nc2)CC	EMOLS-id_46440461,MCULE-5961483926,PC-id_102548656	165.236	FMXXFZOODAJNQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005726
CC1Cc2c(C1CNC)cn[nH]2	PC-id_112714312	165.236	UFXSJXQUEXGFMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005727
CC1Cc2c(C1N)c(n(n2)C)C	PC-id_112714330	165.236	ISSWMMLAFKFFSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005728
CC1CCc2c1c(CN)nn2C	EMOLS-id_331014649,MCULE-8224148945	165.236	VUJXQCLSEUNOQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005729
CC1CCc2nn(C)c(CN)c12	MCULE-2367356059,EMOLS-id_331001784	165.236	QHQRIYGWKDVMHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005730
Cc1c(CCN)nn2CCCc12	PC-id_84108089,EMOLS-id_324140597,MCULE-6586000405	165.236	GRGKGLLLWYOIRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005731
Cc1[nH]c2c(n1)CN(C2)C(C)C	SCHEMBL13256457,PC-id_57931372	165.236	NDDJATTZPGARSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005732
CCC1CCc2c1nc([nH]2)CN	PC-id_102970613,EMOLS-id_96528379	165.236	HIAKYQKVAFEIBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005733
CC(C1C(C)Cc2c1cn[nH]2)N	PC-id_112714311	165.236	JWPFTRJMDVKBSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005734
CC(c1ccn2c1N(C)CC2)N	PC-id_112489748	165.236	GFPKHFXKUUKUDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005735
CC(C1CCn2c1nnc2C)C	PC-id_58125123,SCHEMBL12862783	165.236	RXJMOKYSRHTLBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005736
CC(c1c(C)nc2n1CCC2)N	EMOLS-id_313648542,PC-id_112545518	165.236	MIKLGNYAVSHNIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005737
CCc1c(CN)nn2CCCc12	PC-id_84108088,EMOLS-id_324138550	165.236	HZWUFPBUBSBCFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005738
CC(c1cnc2n1CCN2)(C)C	SCHEMBL10183113,PC-id_136452911	165.236	LXXQPOPLUGFCFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005739
CC(c1nc2c([nH]1)C(CC2)C)N	EMOLS-id_96528352,PC-id_102970169	165.236	AHFGIHAJQTXROA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005740
CC(C1NCn2c1ccn2)(C)C	SCHEMBL21267641,PC-id_139410236	165.236	VGRLWOPQXMBYPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005741
CC(c1n(C)nc2c1CCC2)N	PC-id_84652223,EMOLS-id_114390678	165.236	RBHJDNJABNCDBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005742
CC(c1nn2c(NCC2)c1)(C)C	PC-id_136227103,ZINC22_88611511,EMOLS-id_45772867,MCULE-5166264817	165.236	KHPTWXPXBARANF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005743
CC(c1nnc2n1C(C)CC2)C	PC-id_139307634,SCHEMBL21152441	165.236	YZFCKYUWDDVPFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005744
CCc1nn(C)c2CC(N)Cc12	EMOLS-id_337957661	165.236	GJWRVKSMFATKNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005745
CC(c1nnn2c1CCC2)(C)C	SCHEMBL21153006,PC-id_139308167	165.236	COPZQROCOQUFHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005746
CCc1nnn2c1[C@H](C)C[C@@H]2C	SCHEMBL17761712,PC-id_121345367	165.236	IRVXRYRJEPCZTP-RQJHMYQMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005747
CC(Cc1cnn2c1NCC2)C	EMOLS-id_97184695	165.236	GIRJXSYKQDEZLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005748
CC(Cc1[nH]c2c(n1)CCC2)N	PC-id_83845845,EMOLS-id_313650715	165.236	ZJHYLBPXHNZLIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005749
CCCCc1cnn2c1NCC2	EMOLS-id_194724826	165.236	SEQFUBGFWPGFFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005750
CC(C)(C)c1nnc2CCCn12	EMOLS-id_324796683,MCULE-9466607144,SCHEMBL14030258,PC-id_59825881	165.236	KAEKCUWKFJRJNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005751
CC(C)Cc1nnc2CCCn12	EMOLS-id_324796939,MCULE-6418696531	165.236	KMCACLWZXHUECX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005752
CC(C)(C)n1cc2CNCc2n1	MCULE-7901964478,EMOLS-id_324340320,SCHEMBL18806097	165.236	QXOLFCYELCUGKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005753
CCCn1nc2c(c1C)CNC2	PC-id_96633256	165.236	FQMXSUYMWBGMCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005754
CCCn1nc2c(c1N)CCC2	EMOLS-id_41192163,PC-id_65348405	165.236	BTZYAARYOXFGTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005755
CC(C)n1nc2c(c1N)CCC2	PC-id_65348358,ZINC22_83740173,MCULE-2085174835,SCHEMBL17045567,EMOLS-id_41192159	165.236	LVZWIAPBWHFMOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005756
CC(C)n1ncc2c1CC[C@H]2N	PC-id_97181753,ZINC22_95098073	165.236	XTUIXWMUUZJCDL-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005757
CC(C)n1ncc2c1CC[C@@H]2N	ZINC22_95098074,PC-id_97181754	165.236	XTUIXWMUUZJCDL-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005758
CC(CN)c1cc2CCCn2n1	EMOLS-id_324138805,PC-id_82652471	165.236	HXBMHZJTXYZWBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005759
CC(C)(N)c1cc2CCCn2n1	PC-id_82652437,EMOLS-id_324140085	165.236	FCTQYBVCCNQOSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005760
CCCNC1CCn2c1ncc2	EMOLS-id_265178158	165.236	AZZJFZGEFCBTFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005761
CCCNc1[nH]nc2c1CCC2	EMOLS-id_39560018,PC-id_63048483	165.236	FJYKLXDIDSYEEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005762
CC(CN)c1n[nH]c2CCCc12	MCULE-4059596881,EMOLS-id_313495736,PC-id_83858890,EMOLS-id_315971558	165.236	RIWWSDIUCDKVPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005763
CC(C)(N)c1n[nH]c2CCCc12	MCULE-8891337553,EMOLS-id_313524154,PC-id_82414482	165.236	WIOHKTSLINFTRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005764
C[C@@H](c1nc2c([nH]1)CCC2C)N	PC-id_102970173	165.236	AHFGIHAJQTXROA-GDVGLLTNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005765
C[C@H](c1nc2c([nH]1)CCC2C)N	PC-id_102970183	165.236	AHFGIHAJQTXROA-PRJDIBJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005766
C[C@H](N)Cc1n[nH]c2CCCc12	MCULE-1133781082,EMOLS-id_313897299	165.236	GXRXELYMJPHYFE-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-005767
C[C@@H](N)Cc1n[nH]c2CCCc12	MCULE-2674612484,EMOLS-id_313897811	165.236	GXRXELYMJPHYFE-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005768
CC(N1Cc2c(C1)n(cn2)C)C	SCHEMBL19104707	165.236	LNCOHBDOXPCXSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005769
CC(N1CCn2c1cc(n2)C)C	SCHEMBL19449321	165.236	LDKIKAUBTKZQNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005770
CC(n1nc2c(c1C)CNC2)C	PC-id_96633257	165.236	PDJIHRCVHJMPCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005771
CCn1nc2c(c1NC)CCC2	PC-id_145146514	165.236	NUCLYYABXXXEIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005772
CCn1ncc2c1CC[C@H]2NC	PC-id_97181763,ZINC22_95098085	165.236	FMXXFZOODAJNQY-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005773
CCn1ncc2c1CC[C@@H]2NC	PC-id_97181764,ZINC22_95098086	165.236	FMXXFZOODAJNQY-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005774
CC(n1ncc2c1CNC2)(C)C	SCHEMBL18883057	165.236	XCWJNIMSICVEBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005775
CC(NC1CCn2c1ncc2)C	EMOLS-id_96772025	165.236	JDDYQZVQPUDFEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005776
CCNc1n(C)nc2c1CCC2	PC-id_58824963,SCHEMBL13145631	165.236	GXOPEMQNCJOTGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005777
CC(Nc1[nH]nc2c1CCC2)C	EMOLS-id_313604590,PC-id_63048830,EMOLS-id_39560178	165.236	HMOJYPVYNXFJPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005778
CCNc1[nH]nc2c1CCC2C	PC-id_65046400,EMOLS-id_40959474	165.236	CESNZPWVGCNKKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005779
CCNc1nn(c2c1CCC2)C	SCHEMBL13145630,PC-id_58824944	165.236	LDWBQVVDTKLQSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005780
CC(N)Cc1cc2CCCn2n1	EMOLS-id_324139061,PC-id_82652440	165.236	CLOFLFQKIBFYBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005781
CCNCc1nc2CCCc2[nH]1	PC-id_63927593,EMOLS-id_40130471,MCULE-2618544445	165.236	IVFNLDRXCOWRDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005782
CCNCc1[nH]nc2c1CCC2	PC-id_54847178,EMOLS-id_38281101,EMOLS-id_194692939	165.236	LUQHSYSGBICBFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005783
CN1Cc2c(C1)cn(n2)C(C)C	PC-id_118974274,SCHEMBL17624284	165.236	JJYFCAYIRRCVMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005784
CN1Cc2c(C1)[nH]nc2C(C)C	PC-id_118489217,SCHEMBL17229687	165.236	MUZNZHZTLBYHRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005785
CN1CCn2c1ccc2CCN	PC-id_96633274	165.236	QWGRIJZYRKCADX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005786
Cn1nc2c(c1C)CNC2(C)C	PC-id_142488684	165.236	WTCZHVPCEMTJBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005787
Cn1nc2c(c1)CN(C2)C(C)C	SCHEMBL19163826	165.236	IBYGWSCBCWVPAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005788
Cn1nc2c(c1N)C(CC2)(C)C	EMOLS-id_42572749,PC-id_79867207	165.236	YUYDYBFLMJLJCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005789
Cn1nc2CCCc2c1CCN	EMOLS-id_70118724,PC-id_112711089,MCULE-8396221284	165.236	RIEVRAIXJMYQTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005790
CNC1C(C)Cc2c1c(C)[nH]n2	PC-id_112714319	165.236	JLBZBYDFSNDZRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005791
CNC1C(C)Cc2c1cn(n2)C	PC-id_112714321	165.236	AFDULANCIOJNKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005792
CNC1C(C)Cc2c1cnn2C	PC-id_112714322	165.236	LHSAYCQLSUXFDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005793
CNCc1c(C)nc2n1CCC2	EMOLS-id_313782158,PC-id_112545517	165.236	OOGGSZXZYVQSJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005794
CNCc1nc2c(n1C)CCC2	PC-id_121597767	165.236	FNNVBAFXNNCKGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005795
CNCc1nc2n(c1C)CCC2	PC-id_96736949	165.236	NYVBCWZKNHLSRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005796
CNCc1n(C)nc2c1CCC2	PC-id_83862498,EMOLS-id_114390681	165.236	UKCJRIOSSBWEBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005797
CNCCc1cc2CCCn2n1	EMOLS-id_324140341,PC-id_82652460	165.236	OIORZLWQRNKRJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005798
CNCCc1cn2c(n1)CCC2	PC-id_96736952	165.236	OTBGPIPUYMTBNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005799
CNCCc1cnc2n1CCC2	PC-id_96736940,EMOLS-id_194690283	165.236	HEZZMJSJUCQSCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005800
CNCCc1n[nH]c2CCCc12	EMOLS-id_313519798,PC-id_84652222,MCULE-6684783276	165.236	XPELDSJXXUJODE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005801
n12c(C(CC1)CCN)cnc2C	PC-id_84652226	165.236	MAXPOUAUIRIAGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005802
n12CC(Cc1c(nc2)C)CCN	PC-id_82414430	165.236	VQUGUTIZWPWMHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005803
n12C(CCc1c(nc2)C)CCN	PC-id_82414433	165.236	MNGSDKWYDRYTQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005804
n12c(CCC1)c(nc2C)CCN	PC-id_82596996	165.236	CGDKSNOIYRIVDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005805
n12CCCc1cnc2CCCN	PC-id_82652467	165.236	HZMHJUXLBDMHMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005806
n12c(CCC1)c(nc2C)CNC	PC-id_82596911	165.236	JBWSAABYDVNODK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005807
n12c(CCC1)c(nc2C)C(N)C	PC-id_82596912	165.236	UNEICHFHVGMMDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005808
n12c(CCC1)c(nc2CCN)C	PC-id_82652454	165.236	OWNBCZWRBQVWTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005809
n12CCCc1cnc2C(CN)C	PC-id_82652470	165.236	KVPAYJPGEODIOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005810
n12c(CCC1)c(nc2C(N)C)C	PC-id_82652446	165.236	YOMATHXADJWACC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005811
n12c(CCC1)c(nc2CNC)C	PC-id_82652464	165.236	IPXNRHMNCMEMPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005812
n12c(CCC1)c(nc2CN)CC	PC-id_84108082	165.236	UVKPCZJNOVKGOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005813
n12CCCc1nc(c2C)CCN	PC-id_82596913	165.236	NGYGIRDHMFMORE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005814
n12CCCc1nc(c2CCN)C	EMOLS-id_313727608,PC-id_84021338	165.236	CDYLGPPODDPDLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005815
n12c(CC(N)C1)c(nc2)C(C)C	PC-id_82414431	165.236	GDWJCXCJEHVKHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005816
n1(c2CCCc2nc1CCN)C	PC-id_82463403	165.236	KTNKXDJZHFJFJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005817
n1(c2C(CCc2nc1)CCN)C	PC-id_83873388	165.236	RTOVYJZZLBEFID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005818
n1(c2CCC(c2nc1)CCN)C	PC-id_83873390	165.236	CEBFHLBPRWXIMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005819
n1(c2CCCc2nc1C(N)C)C	PC-id_82463402	165.236	WHISCUMVZSSYPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005820
n1(c2CCCc2nc1CN)CC	PC-id_82463407	165.236	VNJOOVNNEGDAQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005821
n1(c2C(CCc2nc1)CNC)C	PC-id_83873387	165.236	GARVFYWDBHSAQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005822
n1(c2CCC(c2nc1)CNC)C	PC-id_83873389	165.236	CYIHMWPQRPQSNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005823
n1(c2CCC(N)c2nc1)C(C)C	PC-id_83873391	165.236	BRZLBWUQWDKLMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005824
n1(c2c(nc1C(C)C)CNC2)C	PC-id_83864754	165.236	ZZIDYAOYFBFVLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005825
n1(c2c(nc1C)CNC2)C(C)C	PC-id_83864758	165.236	NWYAGJCPKLZHSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005826
n1(c2C(N)CCc2nc1)C(C)C	PC-id_83873386	165.236	UNPFKDADYPJTDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005827
N1(Cc2c(C1)cn(c2CN)C)C	PC-id_83480586	165.236	WBVSXPDEMVWXDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005828
N1(Cc2c(C1)c[nH]c2CCN)C	PC-id_82596994	165.236	KGGWFTHCASVAGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005829
N1(Cc2c([nH]c(c2CN)C)C1)C	PC-id_84764961	165.236	OTLNURAZSXPTBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005830
N1C(c2c(nn(c2)CCC)C1)C	PC-id_82414447	165.236	YOSROYPWHWLUIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005831
N1C(c2c(nn(c2)C(C)C)C1)C	PC-id_82414448	165.236	PTEHOUFQGVKGLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005832
N1(Cc2[nH]c(cc2C1)CCN)C	PC-id_84764966	165.236	LTKJTBUYIOOLOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005833
n1(nc2c(c1C(C)C)CNC2)C	PC-id_83845837	165.236	IAXBEXIXFMZRAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005834
n1(nc2c(CNC2)c1)CC(C)C	PC-id_82414446	165.236	XQBOZRKTLIQTLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005835
n1(nc2C(N)CCc2c1)C(C)C	PC-id_83873383	165.236	DUFFQEGFYZBSMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005836
n1(nc(c2c1CCC2)CCN)C	PC-id_83862232	165.236	JCNPAUNNDKADCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005837
n1(ncc2c1C(CC2)CCN)C	PC-id_83873400	165.236	HBMAREXHCNYDEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005838
n1(nc(c2c1CCC2)CNC)C	PC-id_83862240	165.236	VQHJQQLUCUIMNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005839
n1(ncc2c1C(CC2)CNC)C	PC-id_83873399	165.236	UHTCGMVWVQAWEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005840
n1(nc(c2c1CCC2)C(N)C)C	PC-id_84652221	165.236	DHJDJWITYQVBBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005841
n1(nc(c2c1CNC2)C(C)C)C	PC-id_83845834	165.236	RSKRNEVJDDOUTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005842
n1(ncc2C(CCc12)CCN)C	PC-id_83861581	165.236	BAJQANMRMWMAKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005843
n1n(cc2CCC(c12)CCN)C	PC-id_83873396	165.236	MPXKHYDWTWKYJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005844
n1(ncc2C(CCc12)CNC)C	PC-id_83861583	165.236	MOWCYUAJLHCROS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005845
n1n(cc2CCC(c12)CNC)C	PC-id_83873395	165.236	KRQKTCCZOXCMCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005846
n1(ncc2C(CCc12)C(N)C)C	PC-id_83905496	165.236	ZFPCRCAZXPAXKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005847
n1(nc(N)c2c1CCC2)C(C)C	PC-id_83862151	165.236	RCSAFIUAJBZJLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005848
n1[nH]c(c2C(CCc12)CCN)C	PC-id_83861637	165.236	XLNQJNFYOMHOSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005849
n1[nH]c(c2C(CCc12)CNC)C	PC-id_83861639	165.236	SCEKJSUNRDWYBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005850
n1[nH]c(c2C(CCc12)C(N)C)C	PC-id_83905493	165.236	MLPBMHKHHASJFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005851
NC1Cc2c(C1)[nH]nc2C(C)C	PC-id_112489745	165.236	GTIRSWVXNRVUJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005852
NCC1C(C)Cc2c1cn(n2)C	PC-id_112714316	165.236	TZCJVJLSAAJVGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005853
NCC1C(C)Cc2c1cnn2C	PC-id_112714317	165.236	OZLDSLBQPXWMLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005854
NCc1nc2c([nH]1)CCC2(C)C	PC-id_79863803,EMOLS-id_42571501	165.236	LUTHULQFQAEMOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005855
NCc1nn(c2c1CCC2)CC	PC-id_105432841	165.236	XBLJJUNSYLSMPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005856
NCC(c1cn2c(n1)CCC2)C	PC-id_112489739	165.236	JCBOKFKLOVBOIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005857
NCC(c1cnc2n1CCC2)C	EMOLS-id_265178499	165.236	YEHKEKZPRFCGHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005858
NCCc1nc2c([nH]1)C(CC2)C	PC-id_102970232,EMOLS-id_96528364	165.236	MBSVGNRDKXCFLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005859
NCCCc1cc2CCCn2n1	EMOLS-id_324139317,PC-id_82652468	165.236	HIKHWZWDMCJCQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005860
NCCCc1cn2c(n1)CCC2	PC-id_96633273	165.236	ZXQHIFFEWPUJMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005861
NCCCc1cnc2n1CCC2	PC-id_96736941,EMOLS-id_194619761	165.236	DZJPABNSVWXPGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005862
NCCCc1[nH]c2c(n1)CCC2	EMOLS-id_313633445,PC-id_82463422	165.236	HYDSHVOQTGSZIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005863
NCCCc1n[nH]c2CCCc12	EMOLS-id_315955956,PC-id_83845823,MCULE-2815030362,EMOLS-id_313498807	165.236	NJCDBOCEXLVYQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005864
[nH]1c2c(c(c1C)CCN)CNC2	PC-id_84764960	165.236	YNPYBMJAODVXRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005865
[nH]1ncc2C(C(Cc12)C)CCN	PC-id_83905490	165.236	FGQKCLIHVQZQPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005866
[nH]1nc(c2CCCc12)CC(N)C	PC-id_83845816	165.236	GXRXELYMJPHYFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005867
[nH]1ncc2C(CCc12)C(CN)C	PC-id_83905489	165.236	HSGCMZZGANPUNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005868
[nH]1nc(c2C(CCc12)CN)CC	PC-id_83861617	165.236	IZZUAKBIHLKNRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005869
[nH]1nc(N)c2C(CCc12)C(C)C	PC-id_84021334	165.236	YFUNPSBAHAOWCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005870
CC(=C1CCc2c1scn2)C	PC-id_58085750,SCHEMBL10159129	165.255	RSMKUQSUHBWURY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005871
CC(c1c[n+]2n(c1)CCC2)(C)C	SCHEMBL10203235,PC-id_57722907	165.255	XVNQRUVOHWBHQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005872
[n+]12c(n(CCCC)cc1)CCC2	PC-id_24763794	165.255	YUHJKFODARTMRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005873
s1c2C(C(=Nc2cc1)C)(C)C	PC-id_85802057	165.255	CAJYGJWZCRTRDL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005874
CB1SB(c2c1csc2)C	PC-id_58289239,SCHEMBL12550227	165.88	LVZPVFOAYRIACC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005875
c1(B(O)O)c2CCCc2nn1C	MCULE-6515160014,EMOLS-id_317867003	165.985	MWFBAGBZFWMYNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005876
C1=CC2=C(C1C(=O)O)C=CS2	PC-id_163770586	166.009	MGBOBEUQQRYZHO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005877
C1C=CC2=C1C=C(S2)C(=O)O	PC-id_153735231	166.009	ICORXKAQEBHARI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005878
Nc1nc2c(s1)C(=O)C(C2)B	SCHEMBL13884488	166.009	NGPFHHVKLPHDLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005879
C1C=CC2=C1N=C(S2)C(=O)N	PC-id_153953146	166.02	RSYLDOBPZKDGOF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005880
C=CC1C(=O)N2C=CN=C2S1	PC-id_154171360	166.02	RASJURQPSXQHMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005881
C1C2=C(C(=CN2)C(=O)O)C(=O)N1	PC-id_153956636	166.038	UGLZCINBNWUBGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005882
C1C2=CN(N=C2C(=O)N1)C(=O)N	PC-id_153942372	166.049	XGWCZNKWYHZZBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005883
C1C2=NN(C=C2C(=O)N1)C(=O)N	PC-id_153942482	166.049	KSJXZCAFYVEZPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005884
C1(=C(NC2=C1NC(=O)C2=N)O)N	PC-id_163816814	166.049	YVYWYOQPWOGBTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005885
CN1C(=C)N(C2=C1C=CS2)C	PC-id_161738770	166.056	RMUQHMNJISRQEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005886
C1CC2=CC(=NN2C1)NC(=O)[O-]	PC-id_153972215	166.062	FVFPTCPRTUPRLV-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-005887
C1CC2=C(C=NN2C1)NC(=O)[O-]	PC-id_154429020	166.062	AUHIBLVBSMZALV-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-005888
CN1C2=C(CN(C2)C(=O)[O-])C=N1	PC-id_152749537	166.062	LNVGNRZUCHMKHN-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-005889
CN1C2=C(C=C1CO)C(=O)NC2	PC-id_154464719	166.074	LCLHPTYHSAGGMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005890
CC(C)C1=CSC2=C1CCC2	PC-id_153492312	166.082	CWDVHGTUALCFFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005891
C[C@@H]1C2=C(CC1(C)C)SC=C2	PC-id_155138425	166.082	OYBCLBAURXXFHM-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005892
C[C@H]1C2=C(CC1(C)C)SC=C2	PC-id_155138496	166.082	OYBCLBAURXXFHM-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005893
C1C2=C(NC(=C2C(=C1N)O)N)N	PC-id_163780064	166.085	MNVMZDHDDOPAED-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005894
CN1C2=C(CNC2)N=C1C(=O)N	PC-id_153682818	166.085	YKJQRJFZAHTCRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005895
B(C1=CN=C2N1[C@H](CC2)C)(O)O	PC-id_164899740,EMOLS-id_337853286	166.091	PEGHCVPNKIKCDJ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005896
c12c([nH]nc1C(=N)N=N2)[N+](=O)[O-]	PC-id_137210095	166.098	HVVNLOCWHTZYQW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005897
CC1(CCC2=CC(=NN21)CO)C	PC-id_162349470,EMOLS-id_337165524	166.111	LHUSWVHWHJQBTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005898
CCC1=NC2=C(O1)N(CC2)CC	PC-id_155170594	166.111	VAINYFSLKFTJJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005899
CC(C)(C)C1=NC2=C(N1)COC2	PC-id_155160425	166.111	JJRRHBVYBXEJKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005900
CC(C)c1nn2CN(Cc2n1)C	PC-id_163913122	166.122	QTXMGJKZKJZUFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005901
o1c2CCC(=O)c2c(c1)C(=O)O	PC-id_21185187,SCHEMBL6948898	166.131	MIOVLJHOMINVHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005902
o1c2CCC(=O)c2cc1C(=O)O	PC-id_84013648	166.131	GTYJJBGRYNIIRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005903
o1c2CC(O)C(=O)c2cc1C=O	PC-id_82597016	166.131	QMSGMWIYIAGBFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005904
c1c2c(=CNC2=O)[nH]c1=C(O)O	PC-id_91334767	166.134	NOFKZLQBADMDNP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005905
C1c2c[nH]cc2C(=O)N1C(=O)O	PC-id_135373574,SCHEMBL20554187	166.134	RIJCBTNRYREIHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005906
c1(C(=O)O)[nH]nc2CCC(=O)c12	MCULE-4953892360,EMOLS-id_194582366,PC-id_82597027,EMOLS-id_313726326	166.134	AAJJZYOYFAKEQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005907
O1C(=O)c2n(c(nc2C1=O)C)C	PC-id_83815888	166.134	UDCXWVMDSLNFJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005908
O=C1c2c(NC1)[nH]c(c2)C(=O)O	PC-id_84013655	166.134	RGBQDGFKQYEVPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005909
O=C1c2n(CC1)ccc2[N+](=O)[O-]	PC-id_15517456	166.134	DSIYKDCTPQKXCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005910
O=C1c2n(CC1)cc([N+](=O)[O-])c2	SCHEMBL18418899,PC-id_15517455	166.134	NQANJNHHIIGBHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005911
O=C1Cc2c(N1)[nH]c(c2)C(=O)O	SCHEMBL8145082,PC-id_57659894	166.134	ZRJAAYZOVDXRBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005912
O=C1CCn2c1ccc2[N+](=O)[O-]	SCHEMBL18418898,PC-id_15517454	166.134	HPRFYDOBLMVJDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005913
O=C1CCn2nc(cc12)C(=O)O	PC-id_20744120	166.134	CSPPXXVKDIRLQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005914
O=C1n2ncc(c2CC1)C(=O)O	PC-id_82414369	166.134	KUEFIWAJOMKXOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005915
O=C1Nc2c(C1)[nH]c(c2)C(=O)O	SCHEMBL8157842,PC-id_57659888	166.134	OOUKDWNXABLETM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005916
O=C1NCc2[nH]c(cc12)C(=O)O	SCHEMBL12777376,PC-id_57659943	166.134	XAMNJXVCZNQSBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005917
OC(=O)c1cnn2CCC(=O)c12	EMOLS-id_324139319,PC-id_83672065	166.134	GBPUQMUGKAFXDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005918
OC(=O)c1[nH]nc2c1CCC2=O	PC-id_96740281	166.134	RETPVPFJZFIQFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005919
c12c([nH]c(c1C(=NC2=O)N)O)N	PC-id_137242958	166.137	CJSJXSMQNYLQTG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-005920
C1C(=O)Nc2ncc(n12)C(=O)N	PC-id_90688710	166.137	PENCKLORRDLAJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005921
CC1=Nn2c(C1)nnc2C(=O)O	SCHEMBL16574324,PC-id_117958264	166.137	PXEPPXJMFHJZPO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005922
Cn1c(c2c(c1O)N=NC2=N)O	PC-id_136300236	166.137	YYPUYHSBGNJFDK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005923
CN=C1c2c([nH]c(c2N=N1)O)O	PC-id_137230357	166.137	PXEROCLXXUNLKT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005924
CNc1[nH]nc2c1C(=O)NC2=O	SCHEMBL18878963	166.137	YCADMIYNXRCWFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005925
O=C1N(C(=O)c2[nH]nc(N)c12)C	PC-id_83815890	166.137	BSDBKKRJYLXITH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005926
O=C1NC(=O)c2nn(c(N)c12)C	PC-id_83815891	166.137	RQKURTFIQLQHNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005927
OC(=O)c1nn2c(c1)N=NC2C	SCHEMBL2268686,PC-id_67341549	166.137	SENFKAHODSPBIJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005928
OC(=O)c1nn2c(c1N)N=CC2	SCHEMBL6287859,PC-id_69733115	166.137	BKNCDOHJMCUUHO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-005929
O=C1[n+]2n(c(cc2C)C)C(=O)N1	PC-id_21574612	166.157	PGOBVNYPYYBHRJ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-005930
c1(C(=O)O)c2CCCc2oc1C	MCULE-4025675150,PC-id_83610117	166.174	UFGWJPFNHAHOSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005931
CC1Cc2c(C1C(=O)O)cco2	PC-id_112714341	166.174	GLCZQJIWHAGMAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005932
CC1Cc2c(C1C(=O)O)coc2	PC-id_112714340	166.174	HSDCYBMTQWXBPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005933
CC1Cc2c(C1C(=O)O)occ2	PC-id_112714339	166.174	BAUVHXMTSVIFHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005934
COC(=O)C1Cc2c(C1)coc2	PC-id_15814405,SCHEMBL7823089	166.174	CLXNVIOBNDKTLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005935
COC(=O)c1oc2c(c1)CCC2	PC-id_21057711,SCHEMBL3548365	166.174	BTULAIPMXDNGHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005936
COC(=O)c1occ2CCCc12	EMOLS-id_324005038,PC-id_101133197	166.174	VAUTXLKACOMHLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005937
o1c2CCCc2cc1CC(=O)O	PC-id_82597041	166.174	FSZOMQWKKREQOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005938
o1c2c(CCC2)c(c1)CC(=O)O	PC-id_83480611	166.174	LGCRPLBXAASIEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005939
o1c2C(CCc2cc1)CC(=O)O	PC-id_83905517	166.174	SFBLETTYJVIVEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005940
o1c2C(CCc2cc1C)C(=O)O	PC-id_83905519	166.174	AVSSNRQNKZUDGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005941
o1c2c(C(CC2)CC(=O)O)cc1	PC-id_83682465	166.174	LFWUFPOAOYVDLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005942
o1c2c(C(CC2)C(=O)O)cc1C	PC-id_83905520	166.174	QLGWKETWNMTDCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005943
O1C(c2c(C1=O)c(oc2)C)(C)C	PC-id_10057877	166.174	DQPLAVIDZWRHIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005944
o1cc2C(CCc2c1)CC(=O)O	PC-id_83905518	166.174	YRJSUAHQVYCCQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005945
o1c(c2CCCc2c1C(=O)O)C	PC-id_82376319	166.174	FBXJAUHWWRNWDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005946
c12CC(Cc1cnn2C)C(=O)O	PC-id_84652351,EMOLS-id_54823590,MCULE-8983350757	166.177	GQZOOZZVZAXPKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005947
c12c(CCC1C(=O)O)cnn2C	EMOLS-id_64019699,PC-id_82597089,MCULE-1221379703	166.177	RNCFBOVLCXRJHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005948
c12CC(Cc1nn(C)c2)C(=O)O	PC-id_82414341,MCULE-6798903620,EMOLS-id_54823592	166.177	UDENNRDWTVTBPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005949
c12c[nH]nc1CC(C(=O)OC)C2	PC-id_102568805,MCULE-6237042557,SCHEMBL19768747,EMOLS-id_50380037	166.177	HNHHQCSMWFPQSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005950
c12cn(nc1CCC2C(=O)O)C	EMOLS-id_54823598,MCULE-2125805725,PC-id_82414342	166.177	OOVLWAZKVXSRRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005951
C1Cc2c(C1)n(cc2C(=O)N)O	PC-id_137399518,SCHEMBL20631153	166.177	IWDGXLQXUAWCDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005952
c1(CC(=O)O)cnn2CCCc12	EMOLS-id_317877756,MCULE-5131026419	166.177	REBBVQLDYRQNGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005953
c1(C(=O)O)c2CCCc2n(C)n1	SCHEMBL18984188,EMOLS-id_24676468,ZINC22_11802314,PC-id_24271363,MCULE-9386523479	166.177	VJHXHXGIWYIILZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005954
c1(C(=O)O)c2C(C)CCc2[nH]n1	EMOLS-id_44479203,MCULE-8138310047,EMOLS-id_316750111,SCHEMBL1149735,PC-id_55265289	166.177	UIJZMDMZDGZOOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005955
c1(C(=O)OC)c2CCCc2[nH]n1	ZINC22_9244108,CoCoCo_5051204,STOCK5S-01055,CoCoCo_5051203,ChEMBL-DNDi_CHEMBLF1727-0246,EMOLS-id_33588402,PC-id_2772075,EMOLS-id_835293,MCULE-6860959884	166.177	LOUYGUZFGBPISB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005956
c1(C(=O)OC)cc2n(CCC2)n1	EMOLS-id_50090846,SCHEMBL15273696,PC-id_86280326,ZINC22_147865709,MCULE-5844671525	166.177	CRHQFARYCSJPQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005957
Cc1cc2CC(Cn2n1)C(=O)O	EMOLS-id_324140086,PC-id_82414288	166.177	ZCVMUQMQBFNWRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005958
Cc1cc2c([nH]1)C(NC2=O)CO	PC-id_89793586,SCHEMBL15243637	166.177	ZPOCQBBQHVGVBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005959
CC1Cc2[nH]nc(C(=O)O)c2C1	EMOLS-id_44479205,SCHEMBL1149481,PC-id_25033881,CHEMBL247722,MCULE-3234727407	166.177	IHJUDHJDJKMDBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005960
CC1CCc2c1[nH]nc2C(=O)O	EMOLS-id_43215835,CHEMBL394688,MCULE-6055043116,EMOLS-id_316749855,SCHEMBL1149625,PC-id_11845295,BindingDB_PC-id_11845295	166.177	NFQIURPKSWTDGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005961
CC1CCn2nc(cc12)C(=O)O	EMOLS-id_324140088	166.177	MLFKLPWWTIBMSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005962
Cc1cnc2CC(Cn12)C(=O)O	MCULE-9434205854,PC-id_45088912,EMOLS-id_81834134	166.177	UEWLOCPAGWIVCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005963
Cc1cnc2n1C[C@H](C(=O)O)C2	ZINC22_39082335,PC-id_93500467	166.177	UEWLOCPAGWIVCF-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005964
Cc1cnc2n1C[C@@H](C(=O)O)C2	ZINC22_39082337,PC-id_93500468	166.177	UEWLOCPAGWIVCF-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-005965
Cc1c(nn2CCCc12)C(=O)O	EMOLS-id_324137529,PC-id_84108108	166.177	BMSKTGBHMCIKDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005966
Cc1nn2CCCc2c1C(=O)O	EMOLS-id_324139830	166.177	OIAFISDUAFJAME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005967
C[C@@H]1Cc2n[nH]c(C(=O)O)c2C1	ZINC22_28948750,PC-id_92852701	166.177	IHJUDHJDJKMDBS-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005968
C[C@H]1Cc2n[nH]c(C(=O)O)c2C1	ZINC22_28948752,PC-id_92852702	166.177	IHJUDHJDJKMDBS-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005969
C[C@H]1CCc2c(C(=O)O)n[nH]c12	PC-id_26599228,ZINC22_15444633	166.177	NFQIURPKSWTDGP-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005970
C[C@@H]1CCc2c(C(=O)O)n[nH]c12	ZINC22_15444630,PC-id_26599225	166.177	NFQIURPKSWTDGP-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005971
C[C@H]1CCc2n[nH]c(C(=O)O)c12	PC-id_97112557,ZINC22_91305695	166.177	UIJZMDMZDGZOOP-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005972
C[C@@H]1CCc2n[nH]c(C(=O)O)c12	ZINC22_91305691,PC-id_97112556	166.177	UIJZMDMZDGZOOP-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005973
CC(N1C(=O)Cc2c1nco2)C	PC-id_59459954,SCHEMBL12339188	166.177	URAXITBWFOYEGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005974
CC(N1C(=O)Cc2c1noc2)C	PC-id_59459984,SCHEMBL12339189	166.177	CWFUZNJSZHVPAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005975
CC(N1C(=O)Cc2c1ocn2)C	PC-id_59459990,SCHEMBL12339187	166.177	HLCZBNXVOXTPEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005976
CC(N1C(=O)Cc2c1onc2)C	PC-id_59459950,SCHEMBL12339191	166.177	KWLRIMFXDZXMKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005977
CCn1nc2c(c1C=O)COC2	PC-id_105432980	166.177	PGMBBQIPURXQBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005978
CCn1nc(c2c1COC2)C=O	PC-id_105432978	166.177	HMMVUIRSFPWRHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005979
CC(=O)c1cc(c2n1CCO2)N	PC-id_96633113	166.177	GOINMSZVSPUWFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005980
CC(=O)c1n(C)nc2c1COC2	PC-id_105432957	166.177	JVHFFIOFPJJMID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005981
CC(=O)c1nn(c2c1COC2)C	PC-id_105432955	166.177	DMHMIOQKNCFVGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005982
CC(=O)Cc1cn2c(n1)OCC2	PC-id_96737106	166.177	WUFIFAJVYQECOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005983
CC(=O)Cc1cnc2n1CCO2	PC-id_96737135	166.177	HFCBSTGQFRTPDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005984
CC(=O)Nc1onc2c1CCC2	CoCoCo_5123824,PC-id_16942267	166.177	AHAPOSLESLPAHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005985
CC(=O)O[C@H]1c2n(ccn2)CC1	PC-id_102338623,SCHEMBL19220263,EMOLS-id_337787820,MCULE-6635323150	166.177	UGVXJSHQXPYGHJ-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005986
CC(=O)O[C@H]1CCn2c1ncc2	PC-id_102226594	166.177	UGVXJSHQXPYGHJ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005987
Cn1cc2c(n1)CC[C@@H]2C(=O)O	ZINC22_74338324	166.177	OOVLWAZKVXSRRJ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005988
Cn1cc2c(n1)CC[C@H]2C(=O)O	ZINC22_74338329	166.177	OOVLWAZKVXSRRJ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005989
Cn1cc2c(n1)C[C@H](C(=O)O)C2	ZINC22_74338319	166.177	UDENNRDWTVTBPJ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005990
Cn1cc2c(n1)C[C@@H](C(=O)O)C2	ZINC22_74338322	166.177	UDENNRDWTVTBPJ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005991
Cn1c(C(=O)O)c2c(CCC2)n1	EMOLS-id_49863633,MCULE-2095460535,PC-id_15008414,ZINC22_39058530	166.177	YOZQPUMFUSTCFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005992
Cn1ncc2c1C[C@@H](C(=O)O)C2	ZINC22_212241132	166.177	GQZOOZZVZAXPKC-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005993
Cn1ncc2c1C[C@H](C(=O)O)C2	ZINC22_212241197	166.177	GQZOOZZVZAXPKC-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005994
Cn1ncc2c1[C@H](C(=O)O)CC2	PC-id_96737134,ZINC22_82851917	166.177	RNCFBOVLCXRJHN-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005995
Cn1ncc2c1[C@@H](C(=O)O)CC2	ZINC22_82851916,PC-id_96737133	166.177	RNCFBOVLCXRJHN-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-005996
COCC1NC(=O)c2c1[nH]cc2	PC-id_118511952,SCHEMBL17257996	166.177	FAXHWKWWYANNGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-005997
COC(=O)C1Cc2ccnn2C1	EMOLS-id_324138295	166.177	UILKEAATJYMDRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005998
COC(=O)C1Cc2nc[nH]c2C1	EMOLS-id_324116978	166.177	RUTFNUORSWPPBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-005999
COC(=O)C1CCc2ccnn12	EMOLS-id_89943293	166.177	WJMIODPUZAJMOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006000
COC(=O)C1CCn2nccc12	EMOLS-id_324140344	166.177	GDGSOAOSPSSUFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006001
COC(=O)c1cn2c(n1)CCC2	SCHEMBL16793684,PC-id_118139078	166.177	BGZDCOJUECHLNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006002
COC(=O)c1cnc2CCCn12	EMOLS-id_259922410,MCULE-4085843432,PC-id_68057246,SCHEMBL10185314	166.177	XWQCDKXDKGDALS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006003
COC(=O)c1cnn2CCCc12	PC-id_118139533,SCHEMBL16794181,EMOLS-id_106058753,MCULE-7783557439	166.177	VNDXYIPWYBJOKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006004
COC(=O)c1ncc2n1CCC2	SCHEMBL18055817,PC-id_122522161	166.177	ZQRVJPWSRNEKOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006005
COC(=O)[C@H]1Cc2c[nH]nc2C1	PC-id_99996677,ZINC22_217918190	166.177	HNHHQCSMWFPQSN-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006006
COC(=O)[C@@H]1Cc2c[nH]nc2C1	ZINC22_217918121,PC-id_99996671	166.177	HNHHQCSMWFPQSN-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006007
n1c(CC(=O)O)cc2CCCn12	MCULE-3569227915,PC-id_82597071,EMOLS-id_317878012	166.177	DFSUQAJMSHGENC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006008
NC1CCc2c1c[nH]c2C(=O)O	EMOLS-id_323999392	166.177	YGAZATKQIMEBIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006009
Nc1c([nH]c2CCCc12)C(=O)O	EMOLS-id_330779654,PC-id_83679438	166.177	YNNVXSOIOYLDCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006010
o1c2CCCc2nc1C(=O)CN	PC-id_84731615	166.177	QSJNXVWQPPPMHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006011
O1c2n(CC1)c(c(n2)CC)C=O	PC-id_82414277	166.177	IWJKUJRUVICRHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006012
O1c2n(CC1)c(c(n2)C)C(=O)C	PC-id_82597090	166.177	YILQIUSJFJPPKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006013
O1c2n(nc(c2)CC(=O)C)CC1	PC-id_82597044	166.177	IBOCLLDBIBWJGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006014
O1C(C(=O)n2ncc(c12)C)(C)C	PC-id_13747042	166.177	FZRIWVYPKSFHHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006015
o1nc2c(c1CCN)C(=O)CC2	PC-id_83863654	166.177	XQDMHZQDDXSDFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006016
o1nc2CCC(=O)c2c1CNC	PC-id_83863656	166.177	LSSLZBLYWCJUMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006017
o1nc(c2c1CCC2=O)CCN	PC-id_83863436	166.177	HWQKTOUYHWUEOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006018
o1nc(c2c1CCC2=O)CNC	PC-id_83863438	166.177	QPMCKMWGBJKMFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006019
O(C1CCn2c1ncc2)C(=O)C	PC-id_13809813	166.177	UGVXJSHQXPYGHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006020
OC1CCn2nc(cc12)C(=O)C	PC-id_20744107	166.177	ZRAQVTDJAADYAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006021
O=Cc1nc2c([nH]1)COC2(C)C	EMOLS-id_96383041	166.177	RVCYOZYVQZYIRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006022
OCCn1ncc2c1CCC2=O	PC-id_142652480	166.177	RTJKKNGMTROVLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006023
OC(=O)c1c2c(n(c1)C)CNC2	PC-id_83480633	166.177	NOXMGOVEJUXCKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006024
OC(=O)c1c2c([nH]c1C)CNC2	PC-id_82414280	166.177	ONPJQDCVLKPEKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006025
O(C(=O)c1c2c([nH]c1)CNC2)C	PC-id_82414295	166.177	SVWJFLWZQJYHFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006026
OC(=O)C1Cc2c(C1)c([nH]n2)C	PC-id_112489733	166.177	ATJXETTVNLRQDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006027
OC(=O)C1Cc2n(cnc2C1)C	PC-id_82414290	166.177	XOKXERHZXGUMMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006028
OC(=O)C1Cc2[nH]c(nc2C1)C	PC-id_82414350	166.177	GPHTTZBQSHNDSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006029
OC(=O)C1(CCc2c1[nH]nc2)C	PC-id_83669304	166.177	WOWYBXPKXUHGAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006030
OC(=O)C1CCc2c1nn(c2)C	PC-id_83873453	166.177	YPXQLFLNHVUBHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006031
OC(=O)C1CCc2n1c(C)cn2	PC-id_112489728	166.177	NWBXQSYJGHXYSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006032
OC(=O)C1CCc2n(cnc12)C	PC-id_82414284	166.177	LRWTZISTVHPVHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006033
OC(=O)C1CCc2ncn(c12)C	PC-id_82414323	166.177	CNYFHEGXHAYTHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006034
OC(=O)C1CCc2[nH]c(nc12)C	PC-id_82414285	166.177	COIMXXIAYJMUJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006035
OC(=O)C1(CCc2[nH]cnc12)C	PC-id_83669405	166.177	TZRROBPPHNBHLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006036
OC(=O)C1C(Cc2[nH]ncc12)C	PC-id_83905522	166.177	UCGQZSGUCKUJQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006037
OC(=O)C1CCc2n(ncc12)C	PC-id_83861578	166.177	JQRZIZSZDILTTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006038
OC(=O)C1CCc2n[nH]c(c12)C	PC-id_83861635	166.177	WZCRGVRFLZLWGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006039
OC(=O)C1CCn2c1c(nc2)C	PC-id_82414299	166.177	HRWBIYWGEHAMKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006040
OC(=O)C1CCn2c1cnc2C	PC-id_84652340	166.177	QFSQJSAIDMIXSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006041
OC(=O)C1CC(n2c1ncc2)C	EMOLS-id_96772001	166.177	BTFMELPXQGCJKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006042
OC(=O)C1CCn2c1nc(c2)C	PC-id_82414287	166.177	PXJJLFKGTWMSQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006043
OC(=O)C1CCn2c1ncc2C	PC-id_82414293	166.177	FADIFRGFORDIAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006044
OC(=O)c1c(C)nc2n1CCC2	EMOLS-id_313650966,PC-id_84021350	166.177	RLDVMVBITPALBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006045
OC(=O)C1Cn2c(nc(c2)C)C1	PC-id_82414309	166.177	ZWDJRTFFRXCVEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006046
OC(=O)c1n2CCCc2c(n1)C	PC-id_82652491	166.177	YISULTLGXKXHFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006047
OC(=O)C1n2c(nc(c2)C)CC1	PC-id_82414286	166.177	XUFYRRGLNMVXAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006048
OC(=O)c1n(c2CCCc2n1)C	PC-id_83845854	166.177	WVURFKHFBOOGGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006049
OC(=O)c1n(c2c(CNC2)c1)C	PC-id_82414349	166.177	UGLVZGBTOPMTKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006050
OC(=O)c1nc2n(CCC2)c1C	PC-id_82597047	166.177	ZPCULUXLTRPYCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006051
OC(=O)c1n(cc2c1CNC2)C	PC-id_82414353	166.177	PSCCNEFMAVAPQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006052
OC(=O)C1(N)CCc2c1c[nH]c2	PC-id_83905521	166.177	DCAXGZPPMSBPMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006053
OC(=O)c1nc(n2CCCc12)C	PC-id_82597045	166.177	JOXOZJSDUHSTRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006054
OC(=O)c1[nH]c2c(CN(C2)C)c1	PC-id_84765041	166.177	VBQMUTLQLKTEEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006055
OC(=O)c1[nH]cc2c1CN(C2)C	PC-id_84013661	166.177	VZKPBHOKZNYERI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006056
OC(=O)CC1c2nccn2CC1	MCULE-9855338455,PC-id_45088892,EMOLS-id_81849662	166.177	VHUHMLYOWFYGBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006057
OC(=O)CC1Cc2[nH]cnc2C1	PC-id_22961961	166.177	KQKVYUUHTKIYHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006058
OC(=O)CC1Cc2[nH]ncc2C1	PC-id_82414344	166.177	SIJCTVKFHAUTTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006059
OC(=O)CC1CCc2c1[nH]nc2	PC-id_82414310	166.177	JWPKTLJFCBYTJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006060
OC(=O)CC1CCc2[nH]cnc12	PC-id_83873452	166.177	WBODLXCRQZGQBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006061
OC(=O)CC1CCc2[nH]ncc12	PC-id_82414343	166.177	ZVKGSBDFILFJEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006062
OC(=O)CC1CCn2c1cnc2	PC-id_84652341	166.177	YEZCORPYDCEMEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006063
OC(=O)CC1CCn2nccc12	PC-id_84652343,EMOLS-id_324137526	166.177	PYPACJXWQWDHIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006064
OC(=O)CC1Cn2c(C1)cnc2	PC-id_82414300	166.177	DPVRWQRSHHVBRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006065
OC(=O)Cc1cn2c(c1)NCC2	PC-id_98774374	166.177	AJZPQMDZSWXPSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006066
OC(=O)Cc1cnc2CCCn12	MCULE-4470549566,PC-id_82414333,EMOLS-id_259660160	166.177	HQHBPUXOPLBCJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006067
OC(=O)CC1n2c(CC1)cnc2	PC-id_82414301	166.177	WLIXSKMQHPFGHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006068
OC(=O)Cc1n2CCCc2cn1	PC-id_82652489	166.177	KSAFDFSSONRBFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006069
OC(=O)Cc1nc2n(CCC2)c1	PC-id_82414259	166.177	HCBIZABRYBVHAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006070
O=C(O)Cc1ncn2c1CCC2	PC-id_82597072,ZINC22_82851881,EMOLS-id_336494017	166.177	ODOFSCRKKRDPFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006071
OC(=O)Cc1[nH]c2c(CNC2)c1	PC-id_84765040	166.177	BYQOKIKWLSSSGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006072
OC(=O)Cc1n[nH]c2CCCc12	EMOLS-id_70103233,MCULE-6690148538,PC-id_83858867,EMOLS-id_313496504	166.177	SWVRCRPPYAFENC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006073
OC(=O)C[C@@H]1CCn2c1ncc2	PC-id_93500452	166.177	VHUHMLYOWFYGBK-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-006074
OC(=O)C[C@H]1CCn2c1ncc2	PC-id_93500453	166.177	VHUHMLYOWFYGBK-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006075
C1Cc2c(cnn2C1)C(=O)NN	SCHEMBL20207558,PC-id_134558890	166.18	OGBBZVZJXFNZKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006076
C1Cc2ncc(n2C1)C(=O)NN	SCHEMBL20370777,PC-id_135215132	166.18	OBPIUIYSAILCFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006077
c1(C(=O)NC)[nH]nc2CNCc12	ZINC22_96516090,EMOLS-id_49188855,PC-id_97619428,EMOLS-id_323944138,MCULE-9739474689	166.18	HMUBJOQOLHLZCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006078
c1(C(=O)NN)c2CCCc2[nH]n1	SPECS-id_AN-153/KC16330,EMOLS-id_839803,CoCoCo_627179,EMOLS-id_30489292,GD-id_ZINC00266940,STOCK7S-45055,MCULE-3403334012,ChEMBL-DNDi_CHEMBL5319559,PC-id_776841,CoCoCo_627180,SCHEMBL17927741	166.18	SVCCSHLJCQVHGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006079
CC(c1nnc2n1CNC2=O)C	SCHEMBL11914615,PC-id_58783933	166.18	USVKXAZMDZBYSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006080
CC(c1nnc2n1C(=O)NC2)C	PC-id_58783562,SCHEMBL11914614	166.18	VJPMTLZDGWNJMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006081
CC(C)c1nnc2n1CC(=O)N2	SCHEMBL11914616,PC-id_136148297	166.18	IZKDXOGCVUWSEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006082
CCOc1nn2c(c1N)N=CC2	SCHEMBL6282842,PC-id_69731988	166.18	YOZHCCFOWHNRHA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006083
CC(=O)Nc1n[nH]c2c1CNC2	PC-id_92018891	166.18	WJTJKFSZPKDJHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006084
CN1Cc2c(C1)c([nH]n2)C(=O)N	SCHEMBL15161210,SCHEMBL16152057,PC-id_89729902	166.18	ANTYKUMHUZIEGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006085
CN1CCn2c1nc(n2)C(=O)C	PC-id_96737155	166.18	RHVQSSLXUWHRBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006086
CNC(=O)N1Cc2c(C1)c[nH]n2	MCULE-3566271050	166.18	QCTYFTJGNOTPAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006087
n1(C(=N)N)nc2c(CCC2)c1O	ZINC22_5955264,EMOLS-id_324168026,MCULE-9115480944,CoCoCo_5731547,NSC666291,CoCoCo_5731546	166.18	NYRLKHCAVJPBCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006088
NCC(=O)N1Cc2c(C1)c[nH]n2	MCULE-7750888111,EMOLS-id_96760388	166.18	HVURNOAUUHOQTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006089
NC(=O)c1nn2c(c1N)CCC2	SCHEMBL6383379,PC-id_11228995	166.18	UFMLLYLQFULXCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006090
NC(=O)CN1CCc2n1ccn2	PC-id_67749934,SCHEMBL9020022	166.18	FOPCTOSOPUVZMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006091
NC(=O)CN1CCn2c1ccn2	PC-id_18955298,SCHEMBL9020019	166.18	BUOKFSOPAKBMEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006092
O=C1NC(c2c1[nH]nc2N)(C)C	PC-id_82652519	166.18	NUDDOJXLNUBCBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006093
O=C1N(Cc2n1cnc2)CCN	PC-id_83680765	166.18	BYKZVUAJMNTCTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006094
O=C1NCc2nn(c(c12)CN)C	PC-id_82652521	166.18	PYWCQRKZANFFSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006095
O=C1Nn2c(C1)nnc2C(C)C	PC-id_58784239,SCHEMBL11914613	166.18	ISXPLUYXRCASPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006096
O=c1n([nH]c2CCCc12)C(=N)N	PC-id_380616	166.18	QCYLQOXDULJQOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006097
O=C(c1n2CCCc2nn1)CN	PC-id_82652518	166.18	MVQOLMMRTIYDOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006098
O=C(c1nn2CCCc2n1)CN	PC-id_82597093	166.18	OCKZFPXKIMSYTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006099
O=C(c1nnn2CCN(c12)C)C	PC-id_83873464	166.18	OUTOOOLGNYRATR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006100
OCCC1N=Nc2n1nc(c2)C	PC-id_145811790	166.18	JMZFIPZIMOGLBV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006101
O=CCc1nnn2CCN(c12)C	PC-id_83873463	166.18	SXYBKMOHXDWZPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006102
O=C(N1Cc2n(N)cnc2C1)C	PC-id_82414250	166.18	UBAPTSPPUUAADW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006103
O=C(N)c1c2n(nc1N)CCC2	PC-id_71302448	166.18	FCLTZXODCPISGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006104
C1CNc2c1n(cn2)CC(=O)N	PC-id_89901272,SCHEMBL15384383	166.181	ONUXPIRJJWSMCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006105
CC(=O)N1Cc2c(C1)c([nH]n2)N	PC-id_45086370,SCHEMBL2923652	166.181	IIZBRZVUQBPNQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006106
CNC(=O)c1nn2c(n1)CCC2	PC-id_142363817	166.181	ASXDYCDMMJLDFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006107
n1(CC(=O)N)ncc2c1CNC2	MCULE-7871825957,PC-id_67957276,SCHEMBL9898357	166.181	LLUSREPBXVDBDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006108
n1n(CC(=O)N)cc2c1CNC2	MCULE-2884609070,SCHEMBL2352839,PC-id_67374962	166.181	PVPAFBFQDXYBQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006109
NC(=O)c1nc2n(c1N)CCC2	ZINC22_5012295,CoCoCo_5500838,NSC163013,PC-id_294465,LI_52254	166.181	COTZKHRXUHHANQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006110
NC(=O)N1Cc2c(C1)c([nH]n2)C	SCHEMBL17234814,PC-id_118493375	166.181	ZIGIQDLXHUHBRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006111
NNC(=O)c1nn2c(c1)CCC2	PC-id_142359797	166.181	DUVHPOZYZNXARP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006112
O1c2n(nc(c2)CC(=N)N)CC1	PC-id_83676347	166.181	GPXASXHBNXISDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006113
O=C1Nc2c(n(nc2)C)C1CN	PC-id_83480640	166.181	DWCIWJNORZOEAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006114
O=C1Nc2c(n[nH]c2C)C1CN	PC-id_83480641	166.181	WDVSNGXNUAFDLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006115
CCC1N=Nc2n1nc(c2N)N	PC-id_69733113,SCHEMBL6287847	166.184	SHIPAAAIRDSELQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006116
n1c(CC(=N)N)nn2CCNc12	MCULE-1168365890,PC-id_137200569	166.184	JUPDNPMCMFHTRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006117
N1(CCn2nnc(c12)C(=N)N)C	PC-id_83873479	166.184	KMYKIYADGYDBOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006118
NCCC1N=Nc2n1ncc2N	PC-id_145844613	166.184	MLVIGLDUKYVPFR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006119
Cc1cc2c(s1)C(=C)C(=O)O2	PC-id_118449678,SCHEMBL17179145	166.197	JJWZAHZNFGVPSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006120
CC1=C(O)c2c(C1=O)scc2	PC-id_57914802,SCHEMBL12033691	166.197	LZDOUBHRYVXRKP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-006121
CC1C(=O)c2c(C1=O)scc2	PC-id_91557676	166.197	VZBQJNMEOODKNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006122
O=Cc1sc2c(c1)C(=O)CC2	PC-id_82414231,SCHEMBL13363478	166.197	ROXQIQDDVDACJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006123
OC(=O)C1=Cc2c(C1)ccs2	PC-id_141433167	166.197	WFRQQIBBYANPKJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-006124
OC(=O)c1scc2c1C=CC2	PC-id_141443919	166.197	MJCBSSMWOGGXAV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-006125
c1(C#N)c2COCc2sc1N	EMOLS-id_331060015,MCULE-9309033826	166.2	AQUYUQHBZRPGTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006126
C#Cc1nn(c2c1CSC2)O	PC-id_137437261,SCHEMBL20674095	166.2	SGXCMFWDJRYTHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006127
NC(=O)C1=CCc2c1scn2	PC-id_144673456	166.2	IIAXUAUQPGRZRZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006130
[N+]1(n2c(C=C1)c(N)cc2N)(N)C	SCHEMBL5182352,PC-id_69344564	166.204	YQFUQZAPJABPTI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006131
Nc1c(C#N)n2c(SCC2)n1	ZINC22_58038097,PC-id_13518325,EMOLS-id_32445830,MCULE-6886918076	166.204	MYUVFHRJIRMDBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006132
NC(=[NH2+])Nc1[nH]c2c(n1)CCC2	GD-id_ZINC40175500	166.204	VLXFAYUNHICGKA-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-006133
S1CCn2c1nnc2CC#N	PC-id_84765085	166.204	XMVLECHJBFXFDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006134
S1CCn2nc(nc12)CC#N	PC-id_84765084	166.204	SKXMPSNSHCLNPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006135
S1CCn2nc(nc12)C[N+]#[C-]	PC-id_83480643	166.204	USCJIFRHKUISOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006136
Cc1cc2c(o1)C(CC2O)(C)C	PC-id_119027196	166.217	GIDZINVOLNLLJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006137
o1c2c(CCC2)c(c1CC)CO	PC-id_83610195	166.217	POQQHCNBTDJCEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006138
o1c2c(CCC2)cc1CC(O)C	PC-id_83675077	166.217	YLVCXGXKAGCCBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006139
c12CCCc1n(nc2O)CCC	MCULE-2537865062,EMOLS-id_324383839	166.22	GZTJSEBTAVONKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006140
c12C(C)CCc1n(nc2O)CC	EMOLS-id_330959098,MCULE-7342159747	166.22	NDKVMXCPNVUSMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006141
c12C(C)CCc1nn(CC)c2O	EMOLS-id_331006637,MCULE-9170127055	166.22	XQWPPTYZNUIURU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006142
c12CC(C)C(CN)c1c(C)no2	PC-id_112714357,MCULE-8957737678	166.22	NANIGCGUKQOKFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006143
c12C(O)CCc1[nH]nc2CCC	EMOLS-id_50074142,MCULE-7499936660,PC-id_66489194	166.22	XKEVSDUMYQAMPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006144
C1(C)(C)OC(C)(C)c2cn[nH]c12	PC-id_56737787,ZINC22_67425319,MCULE-6545975063,EMOLS-id_36551448,SPECS-id_AN-153/NB23853	166.22	FKRQNABYJJVSIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006145
c1(CNO)cn(c2CCCc12)C	MCULE-3107483246	166.22	UBTCCQAMUZFBPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006146
CC1Cc2c(C1CCN)cno2	PC-id_112714352	166.22	JOTVQQKFOJUIPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006147
CC1Cc2c(C1CNC)cno2	PC-id_112714354	166.22	PZEZDQJXDQRXOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006148
CC1Cc2c(C1(O)CN)c[nH]c2	PC-id_112714348	166.22	ZOGSCDPMKZRECZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006149
CC1CCc2c1c(CO)nn2C	EMOLS-id_331013618,MCULE-2861046441	166.22	PHOXLUWFELJEFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006150
CC1(C)Cc2cc(CO)nn2C1	PC-id_68685932,SCHEMBL3549089,EMOLS-id_324137782	166.22	IMPOWBGVGHJTHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006151
CC1CCc2nn(C)c(CO)c12	EMOLS-id_330997682,MCULE-7236629084	166.22	VPLKVVKSZVQCJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006152
CC1(CC(c2nonc12)(C)C)C	SCHEMBL20672238,PC-id_137435707	166.22	KROFHWXPSAPZIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006153
CC1(C)OC(C)(C)c2[nH]cnc12	ZINC22_67425310,TIMTEC98918,EMOLS-id_36551444,SPECS-id_AN-153/NB23858,MCULE-1364511488,PC-id_56737785	166.22	CHXXVLVJHAJNQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006154
Cc1oc2c(n1)CN(C2)C(C)C	PC-id_57931333,SCHEMBL13256465	166.22	WXVKSEXNFMGUDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006155
CC(C1CCc2c1cno2)CN	PC-id_112714351	166.22	UBXBPSYQPGKJEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006156
CC(C1CCc2c1non2)(C)C	SCHEMBL18405794	166.22	RUUMZLNSKXVHAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006157
CCC1CCc2c1onc2CN	EMOLS-id_96352701,PC-id_116177540	166.22	UUXVPPDWNCVZGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006158
CC(C1C(C)Cc2c1cno2)N	PC-id_112714353	166.22	JTBJSLZIUUQJOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006159
CC(c1c(C)cn2c1OCC2)N	PC-id_112489708	166.22	ZMDHVPDBKYFMOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006160
CC(c1c(C)nc2n1CCC2)O	PC-id_84652482,EMOLS-id_313729677	166.22	REMKBJUHPAHBSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006161
CC(c1cnn2c1OCC2)(C)C	SCHEMBL18418854	166.22	KMLFPJGKLXQJKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006162
CC(c1nc2c(o1)N(CC2)C)C	SCHEMBL14925545,PC-id_89548621	166.22	MFNVWFCLTCPSOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006163
CCC1NC(c2c1ocn2)CC	PC-id_68258744,SCHEMBL12404521	166.22	BMIGGUVFCREBRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006164
CC(c1n(C)nc2c1CCC2)O	EMOLS-id_114393678,PC-id_84652480	166.22	LAGUOYTWFPLGMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006165
CC(c1[nH]nc2c1COC2)(C)C	SCHEMBL16450532,PC-id_117861624	166.22	VFWHKIHOXURALQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006166
CC(c1nn2c(c1)OCC2)(C)C	PC-id_59229715,SCHEMBL13424019	166.22	YJXDRPXSQHSYCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006167
CCc1nn(C)c2CC(O)Cc12	EMOLS-id_337958683	166.22	QEJNLRXRGKXKLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006168
CC(c1oc2c(n1)CNC2)(C)C	SCHEMBL20329009,PC-id_135178371	166.22	UWKOVDZTMXXAGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006169
CC(C)C1CC(O)c2ccnn12	EMOLS-id_336565526	166.22	GDTSLAFJLLKYKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006170
CC(Cc1cnc2n1CCC2)O	EMOLS-id_313651607	166.22	ICUJCFHJBLOSTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006171
CCCCc1nc2c([nH]1)COC2	PC-id_89021818,SCHEMBL13127143	166.22	GSFNNNYHDCNVFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006172
CC(C)Cn1cc2COCc2n1	EMOLS-id_324401234,MCULE-9036414054	166.22	MZYZSMHTAIVDND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006173
CC(C)(C)N1Cc2conc2C1	PC-id_90337615,SCHEMBL15946750	166.22	GLGIQNTYWPXRDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006174
CCCn1nc2c(c1O)CCC2	EMOLS-id_41629310	166.22	UUSBCGBQIADHCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006175
CC(C)n1nc(O)c2CCCc12	PC-id_105433127,EMOLS-id_337959452	166.22	GSDPQGZWIDYEQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006176
CCCNc1noc2CCCc12	MCULE-2755831659,EMOLS-id_207622506	166.22	LCKLFQKJVDSJOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006177
CC(C)(O)c1n[nH]c2CCCc12	EMOLS-id_315220374,PC-id_84652479,EMOLS-id_313499063,MCULE-6707299857	166.22	LNPQKHZFJXEEDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006178
C[C@@H](O)Cc1n[nH]c2CCCc12	MCULE-7172563292,EMOLS-id_313878355	166.22	OQDPTFPCYHLNMD-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006179
C[C@H](O)Cc1n[nH]c2CCCc12	MCULE-8279192497,EMOLS-id_313878867	166.22	OQDPTFPCYHLNMD-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-006180
CC(N1Cc2c(C1)c(no2)C)C	SCHEMBL19449297	166.22	WNRVUEUHCYLZED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006181
CC(N1Cc2c(C1)c(on2)C)C	SCHEMBL19449308	166.22	WGINYXYEQYVQCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006182
CC(N1Cc2c(C1)nco2)(C)C	SCHEMBL19505130	166.22	GFVSOXAKHQJUAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006183
CC(n1nc2c(c1O)CCC2)C	EMOLS-id_41629238	166.22	CIUHJIOTULNSOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006184
CCn1nc2CCCc2c1CO	MCULE-5921163583,PC-id_121214343,EMOLS-id_70118658	166.22	PJIVRUVTZZINBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006185
CCNCc1noc2c1CCC2	EMOLS-id_107560179,PC-id_54846755	166.22	HDJVRXVIFWNYHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006186
CCOc1nn2c(c1C)CCC2	SCHEMBL19099311	166.22	IAVXYTBNDJPHOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006187
CC(O)Cc1cc2CCCn2n1	EMOLS-id_324139573,PC-id_83675637	166.22	RFEUUJBJOTUIQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006188
CC(O)Cc1n[nH]c2CCCc12	EMOLS-id_313878611,MCULE-6795521279	166.22	OQDPTFPCYHLNMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006189
Cn1nc2CCCc2c1CCO	EMOLS-id_114393951,MCULE-3828737520	166.22	FKXDJGOBTYRPPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006190
CN1N(C)c2c(C1(C)C)occ2	PC-id_140838135	166.22	IFRZMRMKTISVCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006191
CNC1C(C)Cc2c1c(C)no2	PC-id_112714360	166.22	OLTJPUMARBFOJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006192
CNCc1c(C)cn2c1OCC2	PC-id_96737217	166.22	DNIXKZLSQMUWFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006193
CNCc1cc(n2c1OCC2)C	PC-id_96737218	166.22	XRCYRLSJFUFOTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006194
CNCc1noc2c1CCC2C	EMOLS-id_96533225,PC-id_80462984	166.22	JQXITRLBSBXBMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006195
CNCCc1ccc2n1CCO2	PC-id_97703221	166.22	GVCPGTPCXVMNKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006196
CNCCc1ccn2c1OCC2	PC-id_96737221	166.22	NTEAMOJQVWHFCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006197
CNCCc1cn2c(c1)OCC2	PC-id_96737224	166.22	SNAGIAHSEPKZDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006198
COc1cc(n2c1CCC2)CN	PC-id_96737401	166.22	GECFETNWFWZHTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006199
n12CCCc1cc(CNO)c2C	MCULE-3852956710	166.22	UXYLQBKZQMFYHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006200
NCc1noc2c1CCC2(C)C	PC-id_80461565,EMOLS-id_96533201	166.22	LVVDAYBPFPBHHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006201
NCCc1c(C)cn2c1OCC2	PC-id_96633049	166.22	JYUHTLIRMAKTFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006202
NCC(c1ccn2c1OCC2)C	PC-id_112489707	166.22	JJOKLJDYLSCFHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006203
NCCc1cc(n2c1OCC2)C	PC-id_96633047	166.22	UCLVMUKWSPITGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006204
NCC(c1[nH]c2c(c1)CCC2)O	PC-id_112489710	166.22	FSXKNMPLFDPBDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006205
NCCC1(O)CCc2c1c[nH]c2	PC-id_112714349	166.22	LKLUWDPSCMMXOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006206
NCCCc1ccc2n1CCO2	PC-id_96633048	166.22	JWXVQCQWOGJYSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006207
[nH]1cc2C(N)(CO)C(C)Cc2c1	MCULE-4016127056,PC-id_112714350	166.22	DDTFHYIZYNAOTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006208
o1c2C(CCc2nc1C)CCN	PC-id_83873516	166.22	HTGAOSXFFKBRMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006209
o1c2CCC(c2nc1C)CCN	PC-id_83873520	166.22	KWBFWNXCEWZGCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006210
o1c2CCCc2nc1CCCN	PC-id_83949284	166.22	FLJYRYKKXDRZQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006211
o1c2C(CCc2nc1C)CNC	PC-id_83873515	166.22	PUHKKMMTWPPXPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006212
o1c2CCC(c2nc1C)CNC	PC-id_83873519	166.22	SLDICBGUPXMGDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006213
o1c2CCCc2nc1C(N)CC	PC-id_83949279	166.22	WTJCQMWVRWNPPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006214
o1c2CCCc2nc1CNCC	PC-id_83949292	166.22	BGEOXGAVPRUEPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006215
o1c2c(c(CCN)c1C)CNC2	PC-id_84765098	166.22	CRPMUFHXGRPZOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006216
o1c2CCC(N)c2nc1C(C)C	PC-id_83873510	166.22	ASWUUOCJHNZPIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006217
o1c2CCN(c2cc1C(N)C)C	PC-id_82597189	166.22	BETZXXFZXMALBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006218
o1c2c(CN(C2)C)cc1CCN	PC-id_82597191	166.22	OQQJOLLWFHEBRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006219
o1c2c(CN(C2)C)c(c1C)CN	PC-id_84765099	166.22	YFXQRDDUMNZRBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006220
o1c2C(NCc2nc1C(C)C)C	PC-id_82373580	166.22	OCFQDURYWKYYMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006221
o1c2C(N)CCc2nc1C(C)C	PC-id_83873509	166.22	WTSOUNOKAJQBLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006222
O1c2n(CC1)cc(c2)CNCC	PC-id_82414097	166.22	PIRRSGMRECUXID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006223
O1c2n(CC1)ccc2C(N)CC	PC-id_82414195	166.22	GGGAJAFMXWTTMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006224
O1c2n(c(C(N)CC)cc2)CC1	PC-id_82414100	166.22	XQHHRKURGMSWAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006225
O1Cc2c(c([nH]c2C1)C)CCN	PC-id_84765087	166.22	BLKWDEWJIWIDMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006226
o1c(c2CN(Cc2c1)C)CCN	PC-id_82414093	166.22	NURHPUXMYXTYKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006227
o1nc2c(c1C(C)(C)C)CNC2	PC-id_83845861	166.22	ANNGJDXQWKQIND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006228
o1nc2c(c1CC(C)C)CNC2	PC-id_83845862	166.22	XGFJISTVIPNHCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006229
o1nc2c(CCC2)c1CCCN	PC-id_83845885	166.22	AOXMQNZLNRIMAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006230
o1nc2c(CCC2)c1CC(N)C	PC-id_83845876	166.22	NFSHFUSCYWFUSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006231
o1nc2c(CCC2)c1C(CN)C	PC-id_83858728	166.22	QMJRIEJEZNWQCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006232
o1nc2c(CCC2)c1C(N)(C)C	PC-id_83845891	166.22	HWOQSEJSWOCRPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006233
o1nc2c(C(CC2)C(C)C)c1N	PC-id_84021361	166.22	RBECOPBGZYSPFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006234
o1nc(c2C(CCc12)CCN)C	PC-id_83861476	166.22	QTKHARDLURSUMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006235
o1nc(c2C(CCc12)CN)CC	PC-id_83861455	166.22	RWDOHBNVIDQVRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006236
o1nc(c2C(CCc12)CNC)C	PC-id_83861478	166.22	LTQOMKLWHQGCAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006237
o1nc(c2C(CCc12)C(N)C)C	PC-id_83905530	166.22	QOKINUUFHYRJHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006238
o1nc(c2C(N)CCc12)C(C)C	PC-id_83861489	166.22	WHKPRFVYMAFOMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006239
o1nc(c2C(NC)CCc12)CC	PC-id_83861450	166.22	YXOZIUSSQBKVJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006240
OC1(CCc2c1cn(c2)C)CN	PC-id_83905523	166.22	IVBRDTUGHPFNFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006241
Oc1n2CCCc2nc1C(C)C	PC-id_83681539	166.22	IAELTOJKTKXGSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006242
O=c1n2n(CCC2)c(c1CC)C	PC-id_3040287	166.22	VKHRWXILDHWVCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006243
O=c1n2n(CCC2)c(c1C)CC	PC-id_3040288	166.22	BRCWPWBIJMELSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006244
O=c1n([nH]c2c1CCC2)C(C)C	PC-id_66021697	166.22	XFIWLPUGPNPYJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006245
O=c1n([nH]c2c1CCC2)CCC	PC-id_66023141	166.22	YXCVURBHNVOHPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006246
O=c1n([nH]c2CC(Cc12)(C)C)C	PC-id_84652460	166.22	LRUSTXZXWFMECA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006247
O(CC1Cc2n(cnc2C1)C)C	PC-id_59086002	166.22	NAYRPBFVVLEVDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006248
OCc1nc2c([nH]1)CCC2(C)C	EMOLS-id_42571499,PC-id_79863703	166.22	RYLZQKVTXIQSCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006249
OCC1(N)CCc2c1cn(c2)C	PC-id_83905525	166.22	PKTNQKQDYJUWFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006250
OC(c1nn(c2c1CCC2)C)C	PC-id_84652481	166.22	CXHOJJLOTBQVKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006251
OCCc1n2c(CCC2)c(n1)C	PC-id_83674612	166.22	JMDXQXJKVAFDSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006252
OC(Cc1n2CCCc2cn1)C	PC-id_83675675	166.22	ONYPZWKIQMIRQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006253
OCCc1nc2n(CCC2)c1C	PC-id_83674268	166.22	IVKHCLOBZDZWOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006254
OCCc1nc(n2c1CCC2)C	PC-id_83674280	166.22	PANKKUJFIUADFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006255
OCCCc1n[nH]c2CCCc12	EMOLS-id_313869906,MCULE-5176720134	166.22	GNXVRXPMKPHLDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006256
OCCn1c2CCCc2nc1C	PC-id_19735613	166.22	SAVHPKPUMLCESK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006257
OCCn1nc(c2c1CCC2)C	SCHEMBL8270929,PC-id_60096997	166.22	YBRNHLPDWJNGDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006258
OCn1cc2c(n1)C(CC2)(C)C	SCHEMBL5515592,PC-id_57712445	166.22	FMBULJBJJWGCKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006259
ONCc1c2c([nH]c1C)CCC2	PC-id_84765116	166.22	YVBDKDNFPIGYQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006260
O(NCc1cn2c(CCC2)c1)C	PC-id_82597180	166.22	ILXBUCRWCVALLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006261
c12CNCc1nn(C)c2CCN	PC-id_112711090,MCULE-5964438321	166.224	MJDVSFYDKHFMHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006262
c12CN(Cc1nn(C)c2CN)C	MCULE-5379155252,PC-id_112711097,EMOLS-id_317875957	166.224	QIFUGLVOYAEHCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006263
c12CN(Cc1n[nH]c2CCN)C	PC-id_82414032,MCULE-8812441835	166.224	DMKGWAVUTZVHBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006264
c1(C(C)NC)nnc2CCCn12	EMOLS-id_39233899,MCULE-4094093199,PC-id_62627477	166.224	GTIXXSZAWDBWFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006265
CC1(c2cnnn2C(N1)(C)C)C	SCHEMBL20730049,PC-id_137487616	166.224	HSIRQCZRJACKKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006266
CC1(C)CC(c2n1nnn2)(C)C	PC-id_89207372,SCHEMBL13953038	166.224	SLUBRBSEMRTWBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006267
Cc1nn2C(NNc2c1)C(C)C	PC-id_136647790	166.224	RDOIHZKUDYMVPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006268
CCc1nc2c([nH]1)NC(N2C)C	PC-id_91109626	166.224	PHGYDBYJCMUGNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006269
CCc1nc2n(c1N)CCN2C	PC-id_96632926	166.224	LDQDJJLIPIZSAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006270
CC(c1nc(c2n1CCN2)C)N	PC-id_112489705	166.224	ZUIARPARBYEJRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006271
CC(c1nnc2n1CCC2)(N)C	EMOLS-id_38176486,PC-id_61264949	166.224	JEPYYCTURQDZDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006272
CC(C)c1nn2CCNc2c1N	PC-id_136300240	166.224	XHWQPOLGHFUNPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006273
CCC(c1nnc2n1CCC2)N	EMOLS-id_37659677,PC-id_43470332	166.224	JFNVVUKBPFSCFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006274
CC(Cc1nnc2n1CCC2)N	PC-id_43171315,EMOLS-id_37566474	166.224	MTPAPRNUBJCRNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006275
CC(C)(C)c1nn2CCNc2n1	PC-id_136350712	166.224	RQLNIEYLVZIGFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006276
CCCNn1nnc2CCCc12	MCULE-6746440456,EMOLS-id_208147363	166.224	BPHZZNUQEFJRIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006277
CC(N1Cc2c(C1)nn(n2)C)C	SCHEMBL19163824	166.224	JJWMGPYVQGMNQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006278
CC(N1Cc2c(C1)n(nn2)C)C	SCHEMBL19163830	166.224	XEDCURZGCGZTAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006279
CCn1nc2c(c1CN)CNC2	PC-id_105433210	166.224	AFFWMGACJAPXQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006280
CCn1nc2c(c1N)CN(C2)C	PC-id_105433209	166.224	ZTEKFCBGPINOHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006281
CCn1nc(c2c1CN(C2)C)N	PC-id_105433203	166.224	WAWLVRHVMAADIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006282
CCNCc1nnc2n1CCC2	EMOLS-id_38599793,PC-id_61816921	166.224	PVWMHBUFMHELIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006283
CN1Cc2c(C1(C)C)n[nH]c2N	SCHEMBL13906141,PC-id_59145513	166.224	DCPJPYKBYHVDSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006284
Cn1nc2c(c1CNC)CNC2	PC-id_112711096	166.224	MKNORMGKEGGVCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006285
CNc1n[nH]c2c1CNC2(C)C	SCHEMBL12057794,PC-id_57555990	166.224	WQBDZDCHFSJQEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006286
CNCc1nn2c(c1)N(CC2)C	PC-id_96849785	166.224	YIOZPMWHZICYCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006287
CN(Cc1nnc2n1CCC2)C	SCHEMBL10145960,PC-id_58168909	166.224	GSACVBZHUFOQCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006288
CNCCc1nnc2n1CCC2	EMOLS-id_38525926,SCHEMBL19002424,PC-id_61711432	166.224	KJWGYUZJLNFJRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006289
CN(NC1CCn2c1ncc2)C	EMOLS-id_265187975	166.224	DWZFWVHPLDRFQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006290
n12CCCc1nc(c2)C(N)CN	PC-id_82414049	166.224	IDNJECFQWZTNLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006291
n12CCCc1nnc2CCCN	ZINC22_36896127,MCULE-9761246084,EMOLS-id_36840765,PC-id_43142796	166.224	RRODDPQOPUTLDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006292
n12CCCc1nnc2C(CN)C	PC-id_62676424,EMOLS-id_39269548	166.224	NJBZLDMRNWBGLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006293
n12CCNc1cnc2CNCC	PC-id_82414042	166.224	MIALOIAFNMJZKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006294
n12CCN(c1ncc2CCN)C	PC-id_82414030	166.224	WKOHWLBOICXAMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006295
n12nc(cc1N(CC2)C)CCN	PC-id_82652587	166.224	BNTMVJUQVIWMJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006296
n12nc(nc1CCC2)CCCN	PC-id_82597209	166.224	BIVWSYXVRHVGNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006297
n12nc(nc1CCC2)CCNC	PC-id_82597208	166.224	QPIHWHSABHXGDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006298
n12nc(nc1CCC2)C(CN)C	PC-id_82597210	166.224	SBCXRQVSNYZDHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006299
n1(c2c(nc1)CNC2)CCCN	PC-id_82414081	166.224	XQGRRIHNDOQGKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006300
n1(c2c(nc1)CNC2)CC(N)C	PC-id_82414083	166.224	DKFQLBFOVJWXRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006301
n1c2CNCc2[nH]c1C(CC)N	MCULE-7489928854,PC-id_83949424	166.224	NYVRHFOUWLCRLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006302
n1(c2NCCc2nc1)CCCN	PC-id_82414080	166.224	SEOARLKQBBEBBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006303
n1(c2NCCc2nc1)CC(N)C	PC-id_82414079	166.224	DMAPVKARTPXWRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006304
N1(c2n(CCN)cnc2CC1)C	PC-id_82414078	166.224	DZWNCGTYWRRMAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006305
N1(Cc2c([nH]nc2CNC)C1)C	PC-id_83862251	166.224	WIOWFSWRQFBUBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006306
N1(Cc2c([nH]nc2N)C1)C(C)C	PC-id_83845910	166.224	NRQCGTRSQWFSAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006307
N1(Cc2c([nH]nc2N)C1)CCC	PC-id_83914412	166.224	TXBUHVOPPLXASG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006308
N1Cc2c([nH]nc2NC(C)C)C1	PC-id_84652484	166.224	PZJLRCZEVGFTQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006309
N1Cc2c(n(nc2CCN)C)C1	PC-id_83862233	166.224	GKPPNTJFSFSZBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006310
N1(Cc2c(n(nc2CN)C)C1)C	PC-id_83862242	166.224	QYSYPEAOXOXVMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006311
N1Cc2c(n(nc2CNC)C)C1	PC-id_83862241	166.224	RFYTUYXYOYGZKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006312
N1(Cc2c(nn(c2N)C)C1)CC	PC-id_71635278	166.224	TZVPLOKYTSBCQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006313
N1(C(c2c(n(nc2N)C)C1)C)C	PC-id_83845903	166.224	LIMGMXNBLHQFRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006314
N1(C(c2c(nn(c2N)C)C1)C)C	PC-id_83845914	166.224	LPKZJODBFAIEND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006315
N1(Cc2c(nn(c2NC)C)C1)C	PC-id_83862493	166.224	NCZDCUYHDJVVTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006316
N1Cc2c(nn(c2N(C)C)C)C1	PC-id_83863054	166.224	UAJSPLLAHNKRME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006317
N1Cc2c(nn(c2NCC)C)C1	PC-id_84652485	166.224	UGWONZFOIDBCAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006318
N1(Cc2n(CCN)cnc2C1)C	PC-id_82414082	166.224	GBMTZTGJRJIQDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006319
N1Cc2[nH]c(nc2C1)CNCC	PC-id_83949439	166.224	GIZDZPJTFHQTPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006320
N1(C(c2[nH]nc(N)c2C1)CC)C	PC-id_83845909	166.224	GHZLACAUZLZZRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006321
N1C(c2n(nc(N)c2C1)C)CC	PC-id_83845900	166.224	WXBQHRLSOCVLKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006322
N1C(c2n(nc(N)c2C1)C)(C)C	PC-id_83845902	166.224	OQQOLKPPZCEZTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006323
N1(C(c2n(nc(N)c2C1)C)C)C	PC-id_83845904	166.224	TUFSOWJUMXAZLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006324
N1C(c2nn(c(N)c2C1)C)CC	PC-id_83845911	166.224	JNQAWXSNNVTJAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006325
N1C(c2nn(c(N)c2C1)C)(C)C	PC-id_83845913	166.224	YZLYZOJCWYSWDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006326
N1(C(c2nn(c(N)c2C1)C)C)C	PC-id_83845915	166.224	HWHYVIKELAJYQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006327
N1(Cc2n(nc(N)c2C1)C)CC	PC-id_83914410	166.224	SZXZCYPTRDNYGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006328
N1(Cc2n(nc(NC)c2C1)C)C	PC-id_83862226	166.224	ILMUNQQUSREMFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006329
N1C(C(C)C)c2[nH]nc(N)c2C1	PC-id_83845906	166.224	FJRPBLJVIIWKTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006330
n1(nc2c(CNC2)c1N)C(C)C	PC-id_83862407	166.224	FZEGGZDAFRVSNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006331
n1(nc(N)c2c1CNC2)C(C)C	PC-id_83862152	166.224	PAKZZIIBDDNZHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006332
n1(nnc2c1C(CC2)CCN)C	PC-id_83873569	166.224	TUADOMNSNKHUNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006333
n1(nnc2c1C(CC2)CNC)C	PC-id_83873568	166.224	HQDAKNGXYXDLLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006334
n1(nnc2c1C(N)CC2)C(C)C	PC-id_83873567	166.224	JBBZEWDUZCDKJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006335
n1(nnc2C(CCc12)CCN)C	PC-id_83873574	166.224	HTDRUXOIEIKIAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006336
n1(nnc2C(CCc12)CNC)C	PC-id_83873573	166.224	ZTTYLXCARDPPJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006337
n1(nnc2C(N)CCc12)C(C)C	PC-id_83873575	166.224	UBGHMOYRLSIXIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006338
NCc1nn(c2c1CNC2)CC	PC-id_105433204	166.224	PEHVADNJRCUGNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006339
NCCc1nc(c2n1CCN2)C	PC-id_96632924	166.224	SAZVGWZTRXZOEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006340
NCCCc1ncc2n1CCN2	PC-id_96632925	166.224	OLGKZMHIAAIRAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006341
NCCNC1CCn2c1ncc2	EMOLS-id_265187500	166.224	LQXNNDXOKLVEGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006342
[nH]1c2c(nc1CCCN)CNC2	PC-id_83949427	166.224	GDQDKDBTUTWVHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006343
CC1Cc2c(C1=O)c(cs2)C	SCHEMBL4008357,PC-id_18008533	166.24	PVHUGHLRNAPDFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006344
CC1(Cc2c(C1=O)scc2)C	PC-id_91079804	166.24	GFDJBFBXXGELMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006345
Cc1cc2c(s1)C(=O)C(C2)C	SCHEMBL815759,PC-id_11858961	166.24	MWWYRYMDLMZFQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006346
CC1C(C)c2c(C1=O)scc2	PC-id_58526153,SCHEMBL815688	166.24	KWGXHAKFXRZDCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006347
Cc1sc2c(c1)C(=O)C(C2)C	PC-id_12564772,SCHEMBL817816	166.24	ZXBGFSSGPDBXHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006348
CCC1Cc2c(C1=O)scc2	SCHEMBL11533284,PC-id_21317989	166.24	HVFDFIUWSIWARD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006349
CC(=O)c1cc2CCCc2s1	PC-id_71670915,EMOLS-id_43668638,ZINC22_79068535,MCULE-1363495552	166.24	KWQNFODLDNTOFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006350
O=C1c2ccsc2CC1(C)C	SCHEMBL9865110,PC-id_20069480	166.24	DWUBNIWUYFOYOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006351
O=C1CC(c2c1ccs2)(C)C	PC-id_102533927	166.24	HRUJSLLDRVNABK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006352
O=C1CCc2c1c(C)sc2C	PC-id_24977639,SCHEMBL13145539	166.24	WOOQYZVNHCKOFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006353
O=C1CC(c2c1scc2)(C)C	PC-id_19790421,SCHEMBL9466509	166.24	XPIPCVDTXVLPEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006354
O=Cc1c(C)sc2c1CCC2	PC-id_143679419	166.24	UBYXFRSZTXSNBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006355
O=CCc1cc2CCCc2s1	MCULE-5975299590,EMOLS-id_313837492	166.24	KCETXISAFBAJBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006356
s1c2c(CCC2)c(c1)C(=O)C	PC-id_71670904	166.24	IZWWQBFXAVIPRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006357
s1c2c(CCC2)c(c1C=O)C	PC-id_82414029	166.24	MOMLASHLJTTWCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006358
s1c2c(CCC2=O)cc1CC	PC-id_83905533	166.24	WIOVLLZVRXBUTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006359
s1c2C(CC(=O)c2cc1)CC	PC-id_56642580	166.24	MWZBCVRJBUUQJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006360
s1c2CCC(=O)c2cc1CC	PC-id_83905534	166.24	GIYAEJIXGDAGNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006361
s1c(c2CCCc2c1)C(=O)C	PC-id_82414022	166.24	HEALIQKEBMOYMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006362
CC1(Cc2c(N1C)[nH]c[n+]2C)C	SCHEMBL15680187,PC-id_90127196	166.243	BEYUDGFUAVKHIV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-006363
CC(=C)c1cn2c(n1)SCC2	PC-id_141842691	166.243	GXYAIQRKKPKOOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006364
CC([C@H]1CCc2[n+]1cn(n2)C)C	PC-id_118886937,SCHEMBL17523272	166.243	YKJUUIJMXGLFKV-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006365
[CH2-][CH+]1=Cc2c(S1)n(nc2C)C	SCHEMBL13135191	166.243	RFHIJCLWAXFRTM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006366
n12n[n+](cc1CCC2)CCCC	PC-id_53493669	166.243	XNUIVCYFQXYCAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006367
N1(Cc2[n+]([nH]cc2C1)C)C(C)C	PC-id_57931356	166.243	VHHONYDQWBBJMK-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-006368
NC(=N)c1cc2CCCc2s1	PC-id_83677368,EMOLS-id_313873734,MCULE-9378777396	166.243	WLGBJMFLKMOWFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006369
s1c2CCC(c2cc1)C(=N)N	PC-id_83682548	166.243	IWVZRHUSHFGAEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006370
S1c2n(CC1=C)c(c(n2)C)C	PC-id_50901216	166.243	ZISDTNURCZNVQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006371
Cc1cc2c(s1)CC(C2)(C)C	PC-id_91446370,SCHEMBL19981592	166.283	RHXXAPSMUYYPPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006372
CC(C1Cc2c(C1)ccs2)C	PC-id_21317975,SCHEMBL11530991	166.283	HJDGNAFCSALCDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006373
CCc1c(c2c(s1)CCC2)C	PC-id_89002596,SCHEMBL13029605	166.283	QIZCFEBAKZVNFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006374
CCC1CCc2c1c(C)cs2	PC-id_142603214	166.283	FQSZPYLHSPXATO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006375
CC(C1CCc2c1ccs2)C	SCHEMBL13377606,PC-id_59254374	166.283	GRGZQEXHESGTLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006376
CC(C1CCc2c1scc2)C	SCHEMBL13377607,PC-id_59254393	166.283	RZWCSUUGKUQBSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006377
CCC1(C)CCc2c1scc2	SCHEMBL4558841,PC-id_69092094	166.283	CAGKAWITSIIROS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006378
CCc1c(C)sc2c1CCC2	PC-id_122592156,SCHEMBL18117485	166.283	LXKDFBMWRFQOBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006379
CC(c1sc2c(c1)CCC2)C	PC-id_20542326,SCHEMBL12090941	166.283	BFBYYUSWSWWJLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006380
CCCC1Cc2c(C1)ccs2	SCHEMBL12531272,PC-id_68311550	166.283	XKYIXSABDKKWBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006381
C1CC2=CSC(=C2C1)C(=O)[O-]	PC-id_153983038	167.017	WZDHSHKLYKPDMB-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-006382
C1CC2=NC(=C(N2C1)Cl)C#N	PC-id_154730330	167.025	VOBUUMCONQQKPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006383
C1CN2C(=CN=C2C1=O)[N+](=O)[O-]	PC-id_154085824	167.033	UVOQMDYAPFAPIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006384
CC1(C2=C(NC1=O)SC=C2)C	PC-id_154558683	167.04	ONQPLGMZZSXIGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006385
C1CC2=C(C=NN2C1)OC(=O)N	PC-id_153932771	167.069	LSEYAJXIMZIPKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006386
C1CC2=CC(=NN2C1)OC(=O)N	PC-id_153969625	167.069	NICJDAAOWISOTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006387
C1C(CC2=C1C=NN2O)C(=O)N	PC-id_154467820	167.069	MXEVNOMZVPZFKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006388
COCN1C2=C(CNC2=O)C=N1	PC-id_154465293	167.069	XTYFEGQAXFXYMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006389
COC(=O)N1C=C2C(=C1)NCN2	PC-id_164581836	167.069	RYFHZNCYALLXFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006390
CC1=CSC2=C1[C@H](CC2)CN	PC-id_148366482	167.077	LLLWUPMHGOMWRJ-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006391
CN(C)C1=CN2CCCN2C1=O	PC-id_153818276	167.106	JKZPRHKGKUNABC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006392
CN(C)CC1COC2=CC=NN12	PC-id_165370376	167.106	CWXZIFATQVZNRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006393
Cc1c(oc2c1OC(=O)C2=N)O	PC-id_137201025	167.119	NTIDMJQHQZWUKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006394
o1c2c(CNC2=O)cc1C(=O)O	PC-id_83670614	167.119	GPCDZZSGKVKYIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006395
O1c2c([nH]c(c2)C(=O)O)C(=O)C1	SCHEMBL8167701,PC-id_57659828	167.119	NVHLMBRRWVIUBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006396
o1c(nc2c1C(=O)OC2=O)CC	PC-id_84652558	167.119	ZTXPGJVTHUMXNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006397
o1nc2CCC(=O)c2c1C(=O)O	PC-id_83863653	167.119	GAGGMBZJCVUMAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006398
o1nc(c2c1CCC2=O)C(=O)O	PC-id_82413993	167.119	ZIIIZLVFBPPIPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006399
C1C(=O)Nc2c(cnn12)C(=O)O	PC-id_136300241	167.122	BYXCBWJEHJFHMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006400
C1C(=O)Nc2cc(nn12)C(=O)O	PC-id_136300242	167.122	IEUYNEHCZBHXQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006401
O1C(=O)c2n(nnc2C1=O)CC	PC-id_83815952	167.122	BEYDUMUNGCKUJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006402
o1nc2CN(C(=O)c2n1)CC=O	PC-id_82413988	167.122	HIKINQXEFLTMFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006403
O=C1n2c(C(N1)C(=O)O)cnc2	PC-id_82413989	167.122	SVGKBHGQVHNRDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006404
O=c1n(c2c([nH]1)C(=O)NC2=O)C	PC-id_83669587	167.122	FMMOGBQLHWBKDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006405
O=C1Nc2n(C1)c(nc2)C(=O)O	PC-id_84013667	167.122	NRYPMQFVCAOJHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006406
O=C1NCc2c1n[nH]c2C(=O)O	PC-id_84038751	167.122	XEIYSGPGPVDYIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006407
O=C1NC(c2[nH]ncc12)C(=O)O	PC-id_83815949	167.122	YMNSVBBEIQLNOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006408
O=C1N(C(=O)c2[nH]c(=O)[nH]c12)C	PC-id_83669586	167.122	CUHYGDGCTVZCMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006409
OC(=O)c1cnc2n1C(=O)CN2	PC-id_141281864	167.122	GBBHUUUOFMNVNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006410
CCCc1sc2c(n1)CCC2	EMOLS-id_114399961	167.271	OKTIELLCTNQEGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006865
c12cnoc1CCC2C(=O)OC	PC-id_119053629,MCULE-1298607004,EMOLS-id_54823582	167.162	WDOHPSVNEUDXPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006411
c12cnoc1CC(C(=O)OC)C2	PC-id_119053630,MCULE-8353480229,EMOLS-id_54823586	167.162	NHLMSJDIFWFKAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006412
C1(C(=O)O)c2cnoc2CC1C	MCULE-8596272501,PC-id_112714373	167.162	NYSZAPBSCJEDSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006413
CC1CCc2c1onc2C(=O)O	PC-id_80461973,EMOLS-id_96533240	167.162	COIHOIKLQPGSSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006414
CC1COc2c1[nH]c(c2)C(=O)O	SCHEMBL8156212,PC-id_70290330	167.162	QPBGICKRKHFBMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006415
CC1Oc2c(C1)[nH]c(c2)C(=O)O	PC-id_70293043,SCHEMBL8168400	167.162	OQISUUXEFSSSJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006416
C[C@@H]1COc2c1[nH]c(c2)C(=O)O	PC-id_57659900,SCHEMBL12777491	167.162	QPBGICKRKHFBMB-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006417
C[C@@H]1Oc2c(C1)[nH]c(c2)C(=O)O	PC-id_57659841,SCHEMBL12777492	167.162	OQISUUXEFSSSJG-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006418
COC(=O)c1cc2c(o1)NCC2	PC-id_101203910	167.162	SMBHCIQUXXTUBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006419
COC(=O)c1cc2COCc2[nH]1	EMOLS-id_337930969,SCHEMBL16418565,PC-id_117836107	167.162	DRXWOUMUMBPISB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006420
COC(=O)c1c[nH]c2c1COC2	PC-id_90168470,SCHEMBL15731153	167.162	ODSQMCWUVKPILA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006421
COC(=O)c1coc2CNCc12	EMOLS-id_316229230,MCULE-6612079304	167.162	WPDICZZDONUGMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006422
COC(=O)[C@@H]1Cc2cnoc2C1	ZINC22_225795895	167.162	NHLMSJDIFWFKAU-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006423
COC(=O)[C@H]1Cc2cnoc2C1	ZINC22_225795911	167.162	NHLMSJDIFWFKAU-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006424
COC(=O)[C@@H]1CCc2oncc12	ZINC22_225795842	167.162	WDOHPSVNEUDXPQ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006425
COC(=O)[C@H]1CCc2oncc12	ZINC22_225795864	167.162	WDOHPSVNEUDXPQ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006426
COC(=O)[C@@H]1Nc2c(C1)occ2	PC-id_58134062,SCHEMBL12864430	167.162	BLNJWXNCCMPRDA-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006427
o1c2c(CCC2)c(c1N)C(=O)O	PC-id_83447162	167.162	HJMJRWOBAJLNOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006428
o1c2c(CCC2)c(N)c1C(=O)O	PC-id_84021411	167.162	LRQIZOZVNLJCPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006429
o1c2C(CCc2nc1C)C(=O)O	PC-id_82413960	167.162	IISHKMOYILHZGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006430
o1c2C(CCc2nc1)CC(=O)O	PC-id_82413961	167.162	JITSSQMHZAADJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006431
o1c2CCCc2nc1CC(=O)O	PC-id_83845930	167.162	GHQZLWKHIDRRBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006432
o1c2CCC(c2nc1C)C(=O)O	PC-id_83873592	167.162	CXTFUFWQLGNYCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006433
o1c2CCC(c2nc1)CC(=O)O	PC-id_83873593	167.162	QEGPJTPKNFHNCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006434
o1c2c(CNC2)c(c1C)C(=O)O	PC-id_84765163	167.162	MICYRZWCPKOYRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006435
o1c2c(CNC2)cc1CC(=O)O	PC-id_84765166	167.162	XGACOIJFWDDBNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006436
o1c2CCN(c2cc1C(=O)O)C	PC-id_82413943	167.162	TUQIUYYRHWZTEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006437
o1c2c(CNC2)cc1C(=O)OC	PC-id_84652582	167.162	AHJSUXGQXNGOSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006438
o1c2c(CNC2)c(CC(=O)O)c1	PC-id_83480709	167.162	RQZGCQGQDVJVIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006439
o1c2c(C(N)(CC2)C(=O)O)cc1	PC-id_83905546	167.162	MOZVNWQANWXSEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006440
o1c2CN(Cc2cc1C(=O)O)C	PC-id_84013675	167.162	GOIYURYGAUYSHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006441
O1c2c(n(c(c2)C(=O)O)C)CC1	PC-id_83480704	167.162	FQBWJUWPQWMAFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006442
o1c2C(N)(CCc2cc1)C(=O)O	PC-id_83905544	167.162	BMBCAFMGNCXSNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006443
O1Cc2c(C1)c[nH]c2C(=O)OC	PC-id_45082621	167.162	WJLAESKLRMGOPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006444
o1c(c2CN(Cc2c1)C)C(=O)O	PC-id_84013676	167.162	UZKGCKRGXFQWAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006445
o1cc2C(N)(CCc2c1)C(=O)O	PC-id_83905545	167.162	BOWYAPHSORUNRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006446
O1Cc2c([nH]c(c2C(=O)O)C)C1	PC-id_84765164	167.162	CAFVANHYBDLJFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006447
O1Cc2[nH]c(cc2C1)CC(=O)O	PC-id_84765167	167.162	OYQSQAADNSEICW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006448
O1C(c2nocc2C1)(C)C(=O)C	PC-id_10397168	167.162	VBKKOWZLYRRSJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006449
o1nc2c(CCC2)c1CC(=O)O	PC-id_83858700	167.162	VVTSGGVLUNIJQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006450
o1nc2C(CCc2c1)CC(=O)O	PC-id_83873594	167.162	FOKSJUSLKQGQBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006451
o1nc(c2CCCc12)CC(=O)O	PC-id_28808652,EMOLS-id_96245782	167.162	BEWQSDXJNBJUDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006452
o1ncc2CCC(c12)CC(=O)O	PC-id_82413956	167.162	GASGYYAQWMGYAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006453
o1ncc2CC(Cc12)CC(=O)O	PC-id_82413971	167.162	XKSOJHOSOTVWTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006454
o1ncc2C(CCc12)CC(=O)O	PC-id_82413972	167.162	WMPXKXHMEBTQMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006455
o1ncc2CCC(c12)(C)C(=O)O	PC-id_83669306	167.162	LURSPTFFHZULJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006456
o1nc(c2C(CCc12)C(=O)O)C	PC-id_83861473	167.162	PAJODVPRCDXXFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006457
OC1c2n(C(=O)C1)ccc2CO	PC-id_11768933	167.162	WHROUPUGHOIJIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006458
OC1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_70291052,SCHEMBL8159266	167.162	MHGNBXYSIWXTFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006459
OC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL8159272,PC-id_70291055	167.162	MYRCMBYWPOWXMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006460
OC1(CCc2c1c[nH]c2)C(=O)O	PC-id_83905543	167.162	WOEPZBCEXMKRKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006461
OC1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL8151322,PC-id_70289111	167.162	ZHUHMQXWHUFATQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006462
OC1(CCc2[nH]ccc12)C(=O)O	PC-id_82413970	167.162	NYCAQGQANLWIDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006463
OC1CCn2c1c(cc2)C(=O)O	PC-id_112545278	167.162	QIOBHPUCGCWQMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006464
O(C1CCn2c1ccc2)C(=O)O	SCHEMBL9381386,PC-id_67836812	167.162	KPIXEAYIIZLLIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006465
Oc1c(n2CCCc2c1)C(=O)O	PC-id_82413949	167.162	AFGSAASJMSAYKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006466
O[C@H]1Cc2c(C1)cc([nH]2)C(=O)O	SCHEMBL12777369,PC-id_57659912	167.162	MHGNBXYSIWXTFJ-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006467
O[C@H]1CCc2c1cc([nH]2)C(=O)O	PC-id_57659935,SCHEMBL12777368	167.162	MYRCMBYWPOWXMU-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006468
O[C@@H]1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL12777367,PC-id_57659957	167.162	ZHUHMQXWHUFATQ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006469
OC(=O)Cc1ccc2n1CCO2	PC-id_96632864	167.162	LUNLYAVQMKRBHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006470
OC(=O)Cc1ccn2c1OCC2	PC-id_96632863	167.162	ZECGIBJZYPJOCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006471
OC(=O)Cc1cn2c(c1)OCC2	PC-id_96632854	167.162	TYYFMRADLVQYGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006472
ONC(=O)c1occ2c1CCC2	EMOLS-id_114395589	167.162	OCSICMVLVVMPMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006473
c12CN(Cc1n[nH]c2C(=O)O)C	MCULE-1652121592,PC-id_83680008,EMOLS-id_317873653	167.165	MRSCVWLEJSITRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006474
c12COCc1nn(C)c2C=NO	MCULE-1891035980,EMOLS-id_324399197	167.165	UEJYYAZGMHSGSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006475
c12n(CCC1C(=O)O)c(nn2)C	SCHEMBL1155907,PC-id_57907485,EMOLS-id_50367299,MCULE-9115879937	167.165	MKFGJRWRZDCEHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006476
c12N(C)CCn1nc(C(=O)O)c2	MCULE-2808364741,PC-id_82597299,EMOLS-id_317866481	167.165	OBUWNRQLZZXJRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006477
c12nncn1CCC2C(=O)OC	EMOLS-id_49181716,MCULE-3592821370,PC-id_102548704	167.165	DPSQSFWMKNUEFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006478
C1Cc2c(cnn2C1)NC(=O)O	SCHEMBL15528465,PC-id_90010733	167.165	AUHIBLVBSMZALV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006479
C1Cn2cc(nc2N1)CC(=O)O	PC-id_136922878	167.165	HYVRQIBZKRCTPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006480
C1CNc2n[nH]c(c12)CC(=O)O	PC-id_137230943	167.165	MJRIMJOGFMCGOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006481
c1(C(=O)O)c2CCNc2nn1C	MCULE-7945213696,PC-id_136922877	167.165	PPHNKTBYLDAHFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006482
c1(C(=O)O)cnn2CCN(C)c12	PC-id_83678849,EMOLS-id_208152634,MCULE-9456778585	167.165	ZGYPZXWKNXKREJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006483
c1(C(=O)OC)nnc2CCCn12	MCULE-6828648821,ZINC22_72206972,PC-id_102537459,EMOLS-id_42819636	167.165	OAERYTZKTFOCQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006484
c1(C(=O)O)[nH]nc2CC(N)Cc12	EMOLS-id_50380031,PC-id_102568804,MCULE-7999163774	167.165	VFWXMFFANYUXPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006485
C1n2c(CC1N)cc(C(=O)O)n2	MCULE-7229917758,PC-id_139023780,EMOLS-id_317693645	167.165	IJWYFBYFXPSGPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006486
Cc1n2c(CCC2C(=O)O)nn1	EMOLS-id_42802840,MCULE-2321731017,SCHEMBL1155897,PC-id_10012280	167.165	PCTUHZHKVNSBPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006487
Cc1n2c(CC(C(=O)O)C2)nn1	MCULE-4885025527,PC-id_83815966,EMOLS-id_96434411	167.165	WSBNGLBDNJHESB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006488
Cc1nnc2CC[C@@H](C(=O)O)n12	ZINC22_34075726,PC-id_92974953,EMOLS-id_337193325	167.165	PCTUHZHKVNSBPJ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006489
Cc1nnc2n1CC[C@H]2C(=O)O	SCHEMBL11983393,ZINC22_107121105,PC-id_68186946	167.165	MKFGJRWRZDCEHR-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006490
Cc1nnc2n1CC[C@@H]2C(=O)O	ZINC22_107121103	167.165	MKFGJRWRZDCEHR-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006491
Cc1nnc2n1C[C@H](C(=O)O)C2	ZINC22_107121096	167.165	WSBNGLBDNJHESB-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006492
Cc1nnc2n1C[C@@H](C(=O)O)C2	ZINC22_107121099	167.165	WSBNGLBDNJHESB-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006493
Cc1nnc2n1[C@@H](C(=O)O)CC2	PC-id_92974954,ZINC22_34075727	167.165	PCTUHZHKVNSBPJ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006494
C=C[C@H]1[C@@H]([C@@H](c2cnnn12)O)O	PC-id_134851161	167.165	MKFRSQSOAURDMA-JSKYLQRQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006495
C=C[C@@H]1[C@@H]([C@@H](c2cnnn12)O)O	PC-id_134862300	167.165	MKFRSQSOAURDMA-PRMYIZFSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006496
CC(=O)C1CCc2n[nH]c(=O)n12	PC-id_90812292	167.165	ZWEWKEPAIZYMJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006497
CC(=O)Cc1nn2c(n1)OCC2	PC-id_96737543	167.165	ABIAZXHZMYIENK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006498
CC(=O)Cc1nnc2n1CCO2	PC-id_96737561	167.165	YTBITCGLZRONGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006499
Cn1c2c(CN(C2)C(=O)O)cn1	PC-id_91354591	167.165	LNVGNRZUCHMKHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006500
Cn1cc2C(NCc2n1)C(=O)O	EMOLS-id_317457435,MCULE-6804190242	167.165	HVCDZTOLVBROEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006501
Cn1ncc2c1CN[C@H]2C(=O)O	SCHEMBL4598096,PC-id_69109051	167.165	UBQRSBSPIIBHAD-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006502
Cn1ncc2C(NCc12)C(=O)O	EMOLS-id_317678493,MCULE-7443278592,SCHEMBL4598098,PC-id_69109052	167.165	UBQRSBSPIIBHAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006503
COC(=O)c1c2CCNc2n[nH]1	PC-id_137214311	167.165	MGOXIYASNSBQKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006504
COC(=O)C1c2c(n[nH]c2)CN1	EMOLS-id_304216416,MCULE-8612478775	167.165	MJPSPFBTSIROGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006505
COC(=O)c1c2n(CCN2)nc1	EMOLS-id_265193051,MCULE-9863324183,PC-id_137200576	167.165	GWDYGQXARPLQBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006506
COC(=O)c1cc2NCCn2n1	MCULE-8411887224,PC-id_137077432,EMOLS-id_106084152	167.165	YTJLBDYPJHKCCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006507
COC(=O)C1CCc2cnnn12	PC-id_102569792,EMOLS-id_50382474,MCULE-8673750663	167.165	AGMHEJFKGJTLJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006508
COC(=O)C1CCc2nncn12	MCULE-8240882261,EMOLS-id_42802830,PC-id_84618139	167.165	UHJZBUYQFSARNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006509
COC(=O)c1n[nH]c2c1CNC2	PC-id_105433334	167.165	GRUHHRCAQDWSCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006510
COC(=O)c1nnn2CCCc12	EMOLS-id_337879549	167.165	JFFRQKDYHMGTFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006511
COC(=O)[C@@H]1CCc2cnnn12	PC-id_100009369,ZINC22_218263322	167.165	AGMHEJFKGJTLJO-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-006512
COC(=O)[C@H]1CCc2cnnn12	ZINC22_218263373,PC-id_100009370	167.165	AGMHEJFKGJTLJO-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006513
COC(=O)[C@@H]1CCc2nncn12	ZINC22_57354413	167.165	UHJZBUYQFSARNX-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006514
COC(=O)[C@H]1CCc2nncn12	ZINC22_57354414	167.165	UHJZBUYQFSARNX-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006515
COC(=O)[C@@H]1CCn2cnnc12	ZINC22_96509902,PC-id_97617264	167.165	DPSQSFWMKNUEFU-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006516
COC(=O)[C@H]1CCn2cnnc12	ZINC22_96509903,PC-id_97617265	167.165	DPSQSFWMKNUEFU-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006517
COC(=O)[C@H]1NCc2n[nH]cc12	PC-id_141411277,ZINC22_757079745	167.165	MJPSPFBTSIROGG-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-006518
COC(=O)[C@@H]1NCc2n[nH]cc12	ZINC22_757079752	167.165	MJPSPFBTSIROGG-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006519
COC(=O)N1Cc2c(C1)c[nH]n2	MCULE-9064048254	167.165	QIKIPJYDZHCDDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006520
COC(=O)N1CCn2c1ccn2	EMOLS-id_114396020	167.165	ZUMGLTYGYSMGJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006521
n1c2CNCc2[nH]c1CC(=O)O	PC-id_83949441,MCULE-2850174484	167.165	JFTFVLGZGOQABO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006522
Nc1c(C(=O)O)n2c(CCC2)n1	EMOLS-id_96235412,PC-id_82413888,MCULE-9400838575	167.165	SXXKPAGCHGMWFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006523
Nc1c(nn2CCCc12)C(=O)O	EMOLS-id_317714122,PC-id_83678646	167.165	VRVWOQRSSIBGQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006524
NCC(=O)c1cnc2n1CCO2	PC-id_96632815	167.165	FIAOYRMCOSFHDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006525
N[C@H]1Cc2cc(C(=O)O)nn2C1	ZINC22_1775972977	167.165	IJWYFBYFXPSGPY-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006526
N[C@@H]1Cc2cc(C(=O)O)nn2C1	ZINC22_1775972983	167.165	IJWYFBYFXPSGPY-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006527
N[C@@H]1Cc2n[nH]c(C(=O)O)c2C1	PC-id_99996663,ZINC22_217917907	167.165	VFWXMFFANYUXPB-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-006528
N[C@H]1Cc2n[nH]c(C(=O)O)c2C1	ZINC22_217917985,PC-id_99996666	167.165	VFWXMFFANYUXPB-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006529
NC(=O)c1nn(c2c1COC2)C	PC-id_145769995	167.165	ISCNGGMVMTVFTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006530
O1c2n(nc(c2)C(=O)CN)CC1	PC-id_82597274	167.165	YWQXCWAMDAXISG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006531
o1nc2c(C(NC2=O)(C)C)c1N	PC-id_82652617	167.165	ZBGPMUFQCFLQGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006532
o1nc2CN(Cc2c1N)C(=O)C	PC-id_83803077	167.165	RMRUCCYLEPILID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006533
o1nc(c2c1CNC2=O)CCN	PC-id_82652613	167.165	ZSCVHGOKDGLIRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006534
o1nc(c2CCCc12)C(=O)NN	PC-id_54846993	167.165	VBSCUVNJCASONZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006535
o1nc(c2NC(=O)C(c12)CN)C	PC-id_83480712	167.165	QXFHHIRETRPZAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006536
O=c1n(c2c(n1C)C(=O)NC2)C	PC-id_84021420	167.165	OCYCFJARMJKAKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006537
O=c1n(c2c([nH]1)CNC2)CC=O	PC-id_82413879	167.165	RWKFNWVJKQRYLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006538
O=c1n(c2NCCc2[nH]1)CC=O	PC-id_82413878	167.165	YEJCVZIJAKTTOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006539
O(C1NC(=O)c2c1n(nc2)C)C	PC-id_13896250	167.165	LNAXWAIEXSXAQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006540
O(C1NC(=O)c2c1nn(c2)C)C	PC-id_13906313	167.165	VTDYAJBCPHHZLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006541
O(C1NC(=O)c2n(ncc12)C)C	PC-id_13896249	167.165	OYHGXHGJKSFUBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006542
O(C1NC(=O)c2nn(cc12)C)C	PC-id_13906314	167.165	BXHGLOLQHLZGQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006543
O=C(Cc1n2CCCc2nn1)O	MCULE-5399538474,ZINC22_20216394,EMOLS-id_36840767,PC-id_23008635	167.165	XHYACSDYSTXEMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006544
OCC(=O)N1CCn2c1ccn2	EMOLS-id_114395754	167.165	CFYHVQSHGIZBJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006545
OC(=O)c1c2n(nc1N)CCC2	PC-id_83672066	167.165	MQRHBQAATGRCLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006546
OC(=O)c1cc2[N]N=Cc2s1	EMOLS-id_317679574	167.165	UHBVPSRNISLDKC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006547
OC(=O)C1Cc2nn(nc2C1)C	PC-id_84048578	167.165	DHOSSHTZVXAGHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006548
OC(=O)C1Cc2n(nnc2C1)C	PC-id_84048579	167.165	TVGWALHJBVPYRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006549
OC(=O)C1CCc2[nH]nc(N)c12	PC-id_84021415	167.165	VYZCECZMJFRSQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006550
OC(=O)C1CCc2nnn(c12)C	PC-id_83873611	167.165	MPOFSTNWOMNYOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006551
OC(=O)C1CCc2n(nnc12)C	PC-id_83873612	167.165	NOBZAGSPACUGSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006552
OC(=O)c1nc2n(CCC2)c1N	PC-id_82413882	167.165	AJADKXXKTYXWKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006553
OC(=O)C1N(Cc2c1[nH]nc2)C	PC-id_82413914	167.165	RMPREFZPHVXISQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006554
OC(=O)c1nc(c2n1CCN2)C	PC-id_96740302	167.165	LZKYEMRYZBGHEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006555
OC(=O)C1NCc2ncn(c12)C	PC-id_82413901	167.165	BZJKJHYLVRYJIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006556
OC(=O)C1N(Cc2[nH]cnc12)C	PC-id_82413902	167.165	JKUXFURNRIAPCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006557
OC(=O)C1(N)Cc2[nH]ncc2C1	PC-id_82413915	167.165	MIDOMWPBTKLMJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006558
OC(=O)C1(N)CCc2[nH]ncc12	PC-id_83905547	167.165	CAHSRHURHNVYLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006559
OC(=O)c1[nH]c2CCN(c2n1)C	PC-id_82413917	167.165	WDLUSUVWLGYKEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006560
OC(=O)c1n(nc2c1CNC2)C	PC-id_82597298	167.165	IFZYIGVLIWDDQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006561
OC(=O)c1nn(c2c1CNC2)C	PC-id_83680005	167.165	PDWUAKQIBWVRFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006562
OC(=O)c1n[nH]c2CCN(c12)C	PC-id_84049524	167.165	MPAZJNCPALMLTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006563
OC(=O)CC1CCc2n[nH]nc12	PC-id_83873613	167.165	RRUJNBISTJYZOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006564
OC(=O)Cc1ncc2n1CCN2	PC-id_96740460	167.165	WCPKNZLFUQCYER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006565
OC(=O)Cc1nn2CCCc2n1	PC-id_82413911	167.165	NQWNQRLGVHKKRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006566
OC(=O)Cc1n[nH]c2c1CNC2	PC-id_82413877	167.165	LTOMWAMIEYSIRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006567
OC(=O)Cn1nnc2c1CCC2	PC-id_82413922	167.165	MEMMWYGLIBXGQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006568
OC(=O)N1Cc2c(C1)[nH]nc2C	SCHEMBL1704668,PC-id_67128084	167.165	MJJIOWOPFGZMFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006569
OC(=O)Nc1cn2c(n1)CCC2	SCHEMBL18420767	167.165	HPIWEOPOALIJDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006570
OC(=O)Nc1nn2c(c1)CCC2	SCHEMBL18170404,PC-id_122639040	167.165	FVFPTCPRTUPRLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006571
ONC(=O)C1Cc2c(C1)cn[nH]2	SCHEMBL17316148,PC-id_118560053	167.165	RSHWBAOFMPGYAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006572
ONC(=O)c1n[nH]c2c1CCC2	EMOLS-id_97227296	167.165	YSZAONOQXVRRCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006573
[O-][N+](=O)Cc1n[nH]c2CCCc12	EMOLS-id_313877586,MCULE-3973278635	167.165	ROPWOMWLGMWCMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006574
C1C(=O)Nc2nc(nn12)CCN	PC-id_137012570	167.169	UBYBXQSYFOCSPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006575
CCC1C(=O)n2c(nc(n2)N)N1	PC-id_137197592	167.169	DYGAORFBRGVVIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006576
NC1C=c2c(=C1N)[nH]c(=O)n2N	PC-id_117686587,SCHEMBL16221719	167.169	VKOVHDYGGGIARG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006577
Nc1cnn2c1N=NC2CCO	PC-id_145844607	167.169	QWHRCDMCGCRKPS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006578
O=C(N1Cc2c([nH]nc2N)C1)N	PC-id_84652606	167.169	QJJXPGBQDDNKKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006579
ON=C(N1Cc2c(C1)cn[nH]2)N	EMOLS-id_96791064	167.169	ILFQRQFGVNXXFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006580
CC1CCc2c1[nH]nc2C(=O)[OH2+]	PC-id_143078187	167.185	NFQIURPKSWTDGP-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-006581
CC(=O)OC1Cn2ccc[n+]2C1	GD-id_ZINC17014129,ZINC22_17014129,PC-id_417680,CoCoCo_5410503	167.185	HYVIVNLUGVKNNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006582
CN1C(=O)c2c(C1=O)csc2	SCHEMBL13409576,PC-id_89080258	167.185	NRQJULVTXBWJKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006583
N#Cc1scc2c1OC(O2)C	PC-id_141098705	167.185	WVYYQYFTKGUSJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006584
O=C1c2sccc2C(=O)N1C	SCHEMBL18034951,PC-id_60060126	167.185	DUFBCXYYLDLQBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006585
O=C1Nc2c(C1=O)scc2C	EMOLS-id_96994745	167.185	OPXHNTQZNGNZEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006586
O=C1NC(=O)c2c1c(C)sc2	PC-id_141326056	167.185	VKVJROVRPDBYBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006587
OC(=O)C1=Nc2c(C1)ccs2	PC-id_142650820	167.185	LACQKQRFHFDAFD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-006588
s1c2c(CNC2=O)cc1C=O	PC-id_82413865	167.185	RMCZKLWAQIGLCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006589
S1c2c([nH]cc2)C(=O)C1=CO	PC-id_5382975	167.185	GFHRSEASJGOMNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006590
s1c2NCC(=O)c2cc1C=O	PC-id_82413860	167.185	RWLVODWVDLBDBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006591
s1c(c2c(CNC2=O)c1)C=O	PC-id_82597317	167.185	LGKWVBRIVACOMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006592
s1c(c2c(NCC2=O)c1)C=O	PC-id_82413866	167.185	OFFKGKXTDFYRDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006593
s1c(c2CNC(=O)c2c1)C=O	PC-id_82597316	167.185	HYFDTJOERIGFDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006594
s1c(c2NCC(=O)c2c1)C=O	PC-id_82413859	167.185	JRRLPMFVKUAQNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006595
NC(=O)C1=Nc2c(C1)ncs2	SCHEMBL3177519,PC-id_68539124	167.188	JDJMCPSSKADYEN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006596
S1CCn2c1ncc2N=C=O	PC-id_83914438	167.188	ZMYYFFNRSOSDCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006597
S1CCn2c1nc(N=C=O)c2	PC-id_83914434	167.188	PWNPCRGBZJFBHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006598
S1CCn2nc(N=C=O)cc12	PC-id_83914435	167.188	NVSUBKUAEWGHKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006599
CC1Cc2c(C1(N)CO)cco2	PC-id_112714379	167.205	GMTRUPLJQIRIKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006600
CC1Cc2c(C1(N)CO)coc2	PC-id_112714378	167.205	IXKIMYSNDYYTHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006601
CC1Cc2c(C1(O)CN)coc2	PC-id_112714375	167.205	WEEQHQLJZSGANI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006602
CCC1CCc2c1onc2CO	PC-id_116177558,EMOLS-id_114397105	167.205	ULQSNIXVZWHATH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006603
COCc1ccn2c1[C@@H](O)CC2	PC-id_93500481	167.205	BCMGEVIEMCZIGL-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006604
NCC1(O)C(C)Cc2c1occ2	PC-id_112714374	167.205	PMDAQOWKSUTCHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006605
o1c2c(CCC2)c(c1C)CNO	PC-id_84765219	167.205	NELPJAABPZCLAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006606
o1c2c(CCC2)cc1C(N)CO	PC-id_82597345	167.205	JHAJRQKNDLDFPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006607
o1c2CCCc2cc1CNOC	PC-id_82597354	167.205	VAEHSTLXVISMLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006608
o1c2c(CCC2)cc1C(O)CN	PC-id_82597346	167.205	CNLZJOCUQPYLDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006609
o1c2CC(C)C(CN)(O)c2cc1	PC-id_112714376,MCULE-4492902700	167.205	XLNJTNZHEDDTSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006610
o1c2c(c(CCN)c1C)COC2	PC-id_84765193	167.205	QBBJISGELRFYMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006611
o1c2CC(C(O)c2cc1)CCN	PC-id_82413840	167.205	FRNLSLFEDQZFFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006612
o1c2c(C(N)(CC2)CO)cc1C	PC-id_83905562	167.205	QVTVWLNMXDZGMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006613
o1c2c(C(O)(CC2)CN)cc1C	PC-id_83905554	167.205	ZOVVDTAAEPSFCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006614
o1c2C(N)(CCc2cc1C)CO	PC-id_83905559	167.205	MXMZGCBTEIIFMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006615
o1c2C(O)(CCc2cc1C)CN	PC-id_83905551	167.205	KAPIYZHYAMISBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006616
O1C(C(C)C)c2noc(c2C1)C	PC-id_45096346	167.205	UFFHNDSRYRPLJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006617
O1C(Oc2c1n(c(c2)C)C)(C)C	PC-id_57914147	167.205	GMDJZWOJQKQFEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006618
o1nc(c2CCC(c12)(C)C)CO	PC-id_80462652,EMOLS-id_114397171	167.205	CMULYBQRZSKNLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006619
OC1c2n(CC1)ccc2COC	PC-id_45088927	167.205	BCMGEVIEMCZIGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006620
O(C1c2n(CC1)ccc2CO)C	PC-id_56619026	167.205	BQMPRWSQXABASS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006621
OC1(CCc2c1coc2)CCN	PC-id_83905556	167.205	RWKUKIFXBNCFRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006622
OC1(CCc2c1occ2)CCN	PC-id_83905555	167.205	HQEACJLLULDAOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006623
OC1(CCc2occc12)CCN	PC-id_83905557	167.205	RKUJFMUYAODUFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006624
O(C1(CCc2occc12)CN)C	PC-id_83826948	167.205	LTNVTNKHZKCCSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006625
OCc1c2n(CCC2)cc1CO	SCHEMBL10655899,LI_61903,CoCoCo_5559125,NSC253561,PC-id_318201	167.205	BEPNCWKFNFIWEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006626
OCC1(N)C(C)Cc2c1occ2	PC-id_112714377	167.205	MRQJGXUGICLQRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006627
s1c2CCCc2cc1C(=O)[O-]	PC-id_6941438	167.205	XSFUFVBXPLWNBK-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-006628
c12CN(Cc1nn(C)c2CO)C	EMOLS-id_317875189,MCULE-1341193183	167.208	WCNXZCSLUNQIJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006629
c12CNCc1nn(CC)c2CO	PC-id_105433445,EMOLS-id_324348009,MCULE-1009105581	167.208	HWPCIUHOPVCODT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006630
c12CN(Cc1noc2N)C(C)C	MCULE-9927303045,PC-id_83803081	167.208	QWDVHDDMMOJUCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006631
c12COCc1nn(C)c2CNC	PC-id_112711095,MCULE-4210827301	167.208	YGZFKSKWAXZRPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006632
CC1Cc2c(C1(N)CO)cn[nH]2	PC-id_112714380	167.208	OBWDLJASSYWJBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006633
Cc1nc2n(c1CCN)CCO2	PC-id_96632723	167.208	HEZHBZHAQGLXIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006634
Cc1nc2n(c1CNC)CCO2	PC-id_96632655	167.208	UDUGZVNHUCYKRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006635
s1cc2C(CN(c2c1)C)(C)C	PC-id_21300169	167.271	WIIZHUDRMYZLOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006919
CC(C1c2c(CN1C)cn[nH]2)O	PC-id_90696030	167.208	OKMMVFBZQCPRDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006636
CC(C1c2c(CN1C)[nH]nc2)O	PC-id_91481692	167.208	BPLUFEWHMOYMSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006637
CC(c1c(C)nc2n1CCO2)N	PC-id_112489668	167.208	YIBIIJNNXQHSKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006638
CC(c1nc2c([nH]1)COC2C)N	PC-id_102970337	167.208	IYGMLAKLIJMVKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006639
CC(c1nc2n(c1C)CCO2)N	PC-id_112489681	167.208	QVULTAGIMFWYQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006640
C[C@@H](c1nc2c([nH]1)COC2C)N	PC-id_102970341	167.208	IYGMLAKLIJMVKO-ROLXFIACSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006641
C[C@H](c1nc2c([nH]1)COC2C)N	PC-id_102970352	167.208	IYGMLAKLIJMVKO-CNZKWPKMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006642
CCn1c(C)nc2c1CN(C2)O	SCHEMBL17380092,PC-id_118613836	167.208	SRRLWLHEQVKJHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006643
CC(n1cnc2c1CN(C2)O)C	PC-id_118613808,SCHEMBL17380063	167.208	UQBHYCWUHDPMCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006644
CCn1c(=O)[nH]c2c1CN(C2)C	SCHEMBL17954537,PC-id_122435323	167.208	GVVODJYXEUYDNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006645
CCn1nc2c(c1CN)COC2	PC-id_105433472	167.208	BCBOMGWMIPVOOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006646
CC(n1nc2n(c1=O)CCC2)C	SCHEMBL12012166,PC-id_57927147	167.208	YYGBJAJQTFOXRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006647
CCn1[nH]c2c(c1=O)CN(C2)C	PC-id_105433471	167.208	UYBUZOJZMILUGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006648
CCn1[nH]c(=O)c2c1CN(C2)C	PC-id_105433463	167.208	BSWBASVPHUBMAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006649
CCNc1cn2n(c1=O)CCC2	PC-id_141446812	167.208	VBRINUQQQKBJNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006650
CCOc1nc2c(n1C)CNC2	PC-id_118614426,SCHEMBL17380698	167.208	ZKNSZNKWYTWLAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006651
CCONC1CCn2c1ncc2	EMOLS-id_265197622	167.208	MQDOPCXOXBUZMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006652
CC(ON)c1n[nH]c2CCCc12	MCULE-1634817504,EMOLS-id_313883481	167.208	MGSREQBVGKCZST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006653
CN1Cc2c([nH][nH]c2=O)C1(C)C	MCULE-5608343131,EMOLS-id_313725814,PC-id_83845988,ZINC22_107222797,EMOLS-id_316146062	167.208	DLHGRFWTUBXSRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006654
Cn1nc2c(c1CCN)COC2	PC-id_112711088	167.208	FMBXNXMNEWGBJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006655
CN(c1cc(=O)n2n1CCC2)C	SCHEMBL19209991	167.208	GLWLDEWEAMEZFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006656
CNc1[nH]nc2c1COC2(C)C	EMOLS-id_96261265	167.208	DIGZQPCNHWUOBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006657
CNCc1nc2n(c1C)CCO2	PC-id_96737838	167.208	WKYPTEOLCXXZQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006658
CNCCc1cn2c(n1)OCC2	PC-id_96737834	167.208	FDTIYWLVGDEFDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006659
CNCCc1cnc2n1CCO2	PC-id_96737990	167.208	UWHCFTMRKPJZSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006660
CNCCc1ncc2n1CCO2	PC-id_96740583	167.208	XOQSXZIFNQNQLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006661
CN(O)Cc1n[nH]c2CCCc12	MCULE-2624327438,EMOLS-id_313890899	167.208	OPYBBYJPPRCPQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006662
COCCn1nc2c(c1)CNC2	PC-id_142527806	167.208	VFODWGHTUIAMLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006663
COCN1Cc2c(C1)c([nH]n2)C	PC-id_118491651,SCHEMBL17232667	167.208	FCSHWKHGOPTUPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006664
CONC1CC(n2c1ncc2)C	EMOLS-id_265197053	167.208	YGBDBBBOMISFKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006665
n1c2CCCc2[nH]c1NCCO	EMOLS-id_50077586,MCULE-5751481922,PC-id_66490585	167.208	GHHHESZZYISZHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006666
n1c2CNCc2oc1C(CC)N	MCULE-6967771547,PC-id_83949308	167.208	IWLOGRXWCGQISZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006667
n1c(C(N)CO)cn2CCCc12	MCULE-3882941148	167.208	JQKFGPAICYFFOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006668
n1c(C(O)CN)cn2CCCc12	MCULE-7153522916	167.208	XZBZCZZFWHQMEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006669
Nc1c2CCCc2nn1CCO	MCULE-1965018680,PC-id_21455651,EMOLS-id_41192101,SCHEMBL11702724	167.208	LPEQELPYTIMRNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006670
NCc1cnn2c1OC(C2)(C)C	EMOLS-id_324014724	167.208	WDGYUTCOTYUZFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006671
NCc1nc2c([nH]1)COC2(C)C	EMOLS-id_96828193	167.208	JTTGLDDSGCSOCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006672
NCc1nn(c2c1COC2)CC	PC-id_105433464	167.208	SVWLUDSMPHXMQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006673
NCCc1nc2c([nH]1)COC2C	PC-id_102970401	167.208	IJQQZMXDGWBVCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006674
NCCCc1cn2c(n1)OCC2	PC-id_96632720	167.208	ITQFFLJRDZFSSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006675
NCCCc1ncc2n1CCO2	PC-id_96632721	167.208	ARVAWQXHRYDQGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006676
NC[C@H](O)c1n[nH]c2CCCc12	EMOLS-id_313897044,MCULE-9080657723	167.208	IVZCCCWTVSWLIR-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006677
NC[C@@H](O)c1n[nH]c2CCCc12	MCULE-9492684257,EMOLS-id_313900883	167.208	IVZCCCWTVSWLIR-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006678
NCCn1[nH]c2c(c1=O)CCC2	PC-id_105433473	167.208	SYIPCWISQLUGAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006679
NC(CO)c1cc2CCCn2n1	PC-id_82652654,EMOLS-id_324137271	167.208	AAGAKHKLWRAOGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006680
NCC(O)c1cc2CCCn2n1	PC-id_82652656,EMOLS-id_324140598	167.208	WOTGLJFQZYYLID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006681
NCC(O)c1n[nH]c2CCCc12	EMOLS-id_313464787,PC-id_84652712,MCULE-3949442873	167.208	IVZCCCWTVSWLIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006682
NCCOc1n[nH]c2CCCc12	MCULE-4254207607,EMOLS-id_313870928	167.208	IPMUQIAZCAOZNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006683
NC(CO)c1n[nH]c2CCCc12	MCULE-6225029727,PC-id_84652713,EMOLS-id_313494236	167.208	ANFITMWDTCWNOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006684
N[C@@H](CO)c1n[nH]c2CCCc12	EMOLS-id_313900371,MCULE-3165204343	167.208	ANFITMWDTCWNOQ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-006685
N[C@H](CO)c1n[nH]c2CCCc12	EMOLS-id_313900627,MCULE-5252185286	167.208	ANFITMWDTCWNOQ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006686
NOCCc1n[nH]c2CCCc12	EMOLS-id_313884505,MCULE-3089729127	167.208	NBJHTJUNQSSEBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006687
o1c2CCCc2nc1NCCN	PC-id_83826969	167.208	WRGSPZUPSXUETE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006688
o1c2C(CCc2nc1N)CCN	PC-id_83873648	167.208	NZQJSCWOZAMOAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006689
o1c2CCC(c2nc1N)CCN	PC-id_83873652	167.208	KCZIINYVDSUIPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006690
o1c2C(CCc2nc1N)CNC	PC-id_83873647	167.208	DNGBZCDIALYSLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006691
o1c2CCC(c2nc1N)CNC	PC-id_83873651	167.208	LKFOLFLWTWOWFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006692
o1c2c(nc1CCCN)CNC2	PC-id_83949312	167.208	MMXVJWRHQLGGCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006693
o1c2c(nc1CNCC)CNC2	PC-id_83949326	167.208	YBRLXZCFMBGOOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006694
O1c2n(CC1)ccc2C(N)CN	PC-id_82413689	167.208	QLPRJCNZPJKIIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006695
O1c2n(CC1)c(c(n2)CC)CN	PC-id_82413676	167.208	SVNGYVAMNUXWDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006696
O1c2n(CC1)c(c(n2)CCN)C	PC-id_82597403	167.208	RXYHCDKMIMPNJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006697
O1c2n(CC1)c(nc2)CNCC	PC-id_82413681	167.208	WIUZKQOFJJATIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006698
O1c2n(CC1)c(N)c(n2)C(C)C	PC-id_82413787	167.208	INJAGTGTFMFWEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006699
O1c2n(c(C(N)CC)cn2)CC1	PC-id_82413691	167.208	DTTXMHPOWKUFSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006700
O1c2n(CC(N)C)cnc2CC1	PC-id_82413768	167.208	BUMJYGCILOVJKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006701
O1c2n(c(nc2)C(N)CC)CC1	PC-id_82413783	167.208	XBFDOGIWUNZSBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006702
O1c2n(nc(c2CCN)C)CC1	PC-id_84731684	167.208	SYBXYBWALNGKMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006703
O1c2n(nc(CCCN)c2)CC1	PC-id_82413751	167.208	ZMWZGBHGIJMIAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006704
O1c2n(nc(CCNC)c2)CC1	PC-id_82597367	167.208	GEDPCXNYVLMHNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006705
O1c2n(nc(C(N)CC)c2)CC1	PC-id_82413690	167.208	IIQLVCOMBABNHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006706
O1Cc2c(n(nc2CCN)C)C1	PC-id_83862231	167.208	OBDBLFLDHTUIKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006707
O1Cc2c(n(nc2CNC)C)C1	PC-id_83862239	167.208	IJIODYQBAUJKDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006708
O1Cc2c(nn(C(C)C)c2N)C1	PC-id_83862406	167.208	WTJYMCXEVGZVIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006709
O1Cc2n(CCCN)cnc2C1	PC-id_82413766	167.208	MQCZVLOQBMCBEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006710
O1Cc2n(CC(N)C)cnc2C1	PC-id_82413767	167.208	KEOQAUPHCWVGJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006711
O1Cc2n(nc(N)c2C1)C(C)C	PC-id_83862150	167.208	YQNUHMITNZYPGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006712
o1nc2c(CN(C2)C)c1CCN	PC-id_83862413	167.208	FOHFLDPMGAYRNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006713
o1nc2c(CN(C2)C)c1CNC	PC-id_83862419	167.208	PZNLFALVWDNKNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006714
o1nc2C(NCc2c1N)C(C)C	PC-id_83845975	167.208	HDTSKKRQAXKPAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006715
o1nc2C(N(Cc2c1N)C)CC	PC-id_83845978	167.208	GAMLFBIJELULKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006716
o1nc2C(N(Cc2c1N)C)(C)C	PC-id_83845979	167.208	UEXSAOOGBZFHTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006717
o1nc2CN(Cc2c1N)CCC	PC-id_83914442	167.208	RDDIAKFWAFXJMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006718
o1nc(c2CN(Cc12)C)CCN	PC-id_83862153	167.208	RZVIDCFMTGAVSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006719
o1nc(c2CN(Cc12)C)CNC	PC-id_83862159	167.208	HRRJQSGGVYOKPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006720
o1nc(c2N(CCc12)C)CCN	PC-id_82413668	167.208	LJCCYBKFYWUVHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006721
o1nc(N)c2c1C(NC2)C(C)C	PC-id_83845969	167.208	OJHMOTACJLPQPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006722
o1nc(N)c2c1C(N(C2)C)(C)C	PC-id_83845973	167.208	DDZDIUGURFDRRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006723
o1nc(N)c2CN(C(c12)CC)C	PC-id_83845972	167.208	HOPANNXPDWKSHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006724
o1nc(N)c2CN(Cc12)C(C)C	PC-id_83845974	167.208	KEIOXJPYWSEICA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006725
OC1c2c([nH]nc2CCN)CC1	PC-id_83863535	167.208	JIIQZXGYSRWNLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006726
OC1c2c([nH]nc2CNC)CC1	PC-id_83863537	167.208	NGONVJMKLZZWAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006727
OC1c2c(n(nc2CN)C)CC1	PC-id_83863533	167.208	IAMPPHYWNATZNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006728
OC1c2c(nn(c2CN)C)CC1	PC-id_83863682	167.208	KQBAFYVKBIIQOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006729
OC1Cc2c(n(nc2CN)C)C1	PC-id_83854580	167.208	ZWRYXIPNXYWYEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006730
OC1(C(Cc2[nH]ncc12)C)CN	PC-id_83905564	167.208	DZQITXVIPRCFKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006731
OC1(CCc2[nH]ncc12)CCN	PC-id_83905570	167.208	JZWFMIYCWJWFRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006732
OC1(CCc2nn(cc12)C)CN	PC-id_83905568	167.208	ZGEHTBRLZCLHPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006733
OC1(CCc2n(ncc12)C)CN	PC-id_83905569	167.208	HPEFNNOYFCKPEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006734
OC1(CCc2n[nH]c(c12)C)CN	PC-id_83905566	167.208	MZCYQYFUPLPZIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006735
OC1C(N(c2c1cn(c2)C)C)N	PC-id_82413704	167.208	CXTKGQSOGDOKCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006736
OC1C(NC)Cn2ncc(c12)C	PC-id_82413700	167.208	ZQXHZQYAQTXWLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006737
O=c1n2CC(Cc2nn1C)(C)C	PC-id_53644935	167.208	AIQNTETUYHXDGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006738
O=c1[nH]n(c2c1C(N(C2)C)C)C	PC-id_83845990	167.208	QEMPXJCSIIPZAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006739
O=c1[nH]n(c2c1CNC2)C(C)C	PC-id_83863783	167.208	FNUMUMGRKQSEQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006740
O=c1[nH]n(c2C(N(Cc12)C)C)C	PC-id_83845991	167.208	HAGZZJFDWQTOTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006741
O=c1[nH]n(c2C(NCc12)CC)C	PC-id_83845993	167.208	WPHRSKGPADGOGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006742
O=c1[nH]n(c2C(NCc12)(C)C)C	PC-id_83845995	167.208	MQRSAWBMUKTJLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006743
O=c1[nH][nH]c2C(CCc12)CCN	PC-id_82413667	167.208	TXLWMTAECXPHQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006744
O=c1[nH][nH]c2C(NCc12)C(C)C	PC-id_83845980	167.208	CLEUMNJFEATGES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006745
O=c1[nH][nH]c2C(N(Cc12)C)CC	PC-id_83845983	167.208	GRQKXFJFPLXOFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006746
O=c1[nH][nH]c2CN(Cc12)C(C)C	PC-id_83845987	167.208	VAIYNSPOUOZQJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006747
O(c1n(nc2c1C(NC2)C)C)C	PC-id_83845938	167.208	AJWIEPXTARTJIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006748
O(c1nn(c2c1C(NC2)C)C)C	PC-id_83845941	167.208	YBJAXOFBVVZBJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006749
O(c1n(nc2C(NCc12)C)C)C	PC-id_83845939	167.208	AHVAUJACPWBGOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006750
O(c1nn(c2C(NCc12)C)C)C	PC-id_83845942	167.208	NVQVIYAEWHHMKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006751
O=c1n([nH]c2c1C(CC2)CN)C	PC-id_82413782	167.208	UNUSJKSQHRTABZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006752
O=c1n([nH]c2c1CNC2)C(C)C	PC-id_83863855	167.208	ONOFXDRNCLVWGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006753
O=c1n([nH]c2C(CCc12)CN)C	PC-id_82413779	167.208	ZESXKKKHHWMJBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006754
O=c1n([nH]c2CC(Cc12)CN)C	PC-id_82413781	167.208	MTPWXIHJEYPVBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006755
O=c1n([nH]c2C(NCc12)CC)C	PC-id_83846000	167.208	NUUVARWJIOCAHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006756
O=c1n([nH]c2C(NCc12)(C)C)C	PC-id_83846001	167.208	BTMKVKHGSHPMFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006757
OCC1(N)CCc2nn(cc12)C	PC-id_83905574	167.208	ZERIQNCALGMTLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006758
OCC1(N)CCc2n(ncc12)C	PC-id_83905575	167.208	BXEWAXJTKFBTPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006759
OCC1(N)CCc2n[nH]c(c12)C	PC-id_83905572	167.208	VLNJIJVKSMYYPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006760
OC(c1[nH]c2CCCc2n1)CN	PC-id_84731706	167.208	WYFSXJHNXNBBBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006761
OCC(c1cnc2n1CCC2)N	EMOLS-id_313782914	167.208	QJELNSAXMZMHBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006762
OC(Cc1n2CCCc2nn1)C	PC-id_83675669	167.208	BVFZUMDBAXPRCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006763
OC(Cc1nn2CCCc2n1)C	PC-id_83675179	167.208	PSYQXKQWJGYEJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006764
OCCc1nn2CCN(c2c1)C	PC-id_83674584	167.208	JAJZHFCUZIUEDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006765
OCCCc1nnc2CCCn12	MCULE-2070882839,PC-id_24688423,EMOLS-id_277346266	167.208	OXNWVEMUTCITOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006766
OC[C@H]1[C@H](C)n2c([C@H]1N)ncc2	PC-id_101358068	167.208	TXOVRRIOHPWBGO-ACZMJKKPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006767
OCCn1nc2c(c1)CN(C2)C	PC-id_117633272,SCHEMBL16152035	167.208	UHBJHXKOEYLVQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006768
OCCNC1CCn2c1ncc2	EMOLS-id_194519169	167.208	UQQQYBCVWGBMNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006769
OCC(N)c1n2CCCc2cn1	PC-id_82652653	167.208	DKWRRCBBQUSVNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006770
ON1Cc2c(C1)nc([nH]2)C(C)C	SCHEMBL17380057,PC-id_118613802	167.208	HNGWYHCPNOEBTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006771
ONCc1n2c(CCC2)c(n1)C	PC-id_82652669	167.208	NTVYWZDWUKWIDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006772
O(NCc1nc2n(CCC2)c1)C	PC-id_82597448	167.208	XWQODOYHIGZCHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006773
ONCc1nc(n2c1CCC2)C	PC-id_82597369	167.208	NWYOTZDHAAMMNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006774
O(NCc1nn2CCCc2c1)C	PC-id_82652700	167.208	NMOLRGFDDQVNKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006775
C1Cn2c(nc(n2)CCCN)N1	PC-id_136305472	167.212	XISVTDHDQADQEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006776
CC1(c2nnnn2C(N1)(C)C)C	PC-id_137487577,SCHEMBL20730001	167.212	OCROGILDASVZSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006777
CCC1NNc2c(c(nn12)C)N	PC-id_136654538	167.212	MKMRQRGTAPKTCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006778
CCC(c1c2NCCn2nn1)N	PC-id_136305474	167.212	KHIFMIJFSDTCRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006779
CCC(c1nn2CCNc2n1)N	PC-id_136305473	167.212	AHFJHSJKJUJQOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006780
CC(C)(c1nn2CCNc2n1)N	PC-id_136922873	167.212	LQNCWRAAJHQYJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006781
CC(C)C1NNc2c(cnn12)N	PC-id_136607357	167.212	ICMDMUGJELPXDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006782
CCNCc1nn2CCNc2n1	PC-id_136305471	167.212	BMTCSEZSURNSNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006783
CNCc1nn2c(n1)N(CC2)C	PC-id_96737995	167.212	KCRTXJGQVFATJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006784
n12nc(nc1N(CC2)C)CCN	PC-id_82597474	167.212	HBZZJKOIFPZSEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006785
N1(c2n(nnc2CCN)CC1)C	PC-id_83873660	167.212	WWTRAAZEUUQNCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006786
N1(c2n(nnc2C(N)C)CC1)C	PC-id_82413661	167.212	WJSKSLVQFCGRAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006787
n1c(C(C)CN)nn2CCNc12	MCULE-3936613738	167.212	CYVNIJPVTKLFCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006788
N1(CCn2nnc(c12)CNC)C	PC-id_83873659	167.212	RLPQVODDWUZFKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006789
c12CN(Cc1scc2C=O)C	MCULE-9872981188,EMOLS-id_331065126	167.228	QJEMOPIRNFQVJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006790
c1(C=O)c2CCCc2sc1N	MCULE-8632571001,EMOLS-id_331062054	167.228	WYPWFNRSXXQTMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006791
c1(C(=O)N)csc2CCCc12	SCHEMBL6408001,MCULE-2290131085,EMOLS-id_331062565,PC-id_21955867	167.228	NBHVQSNNVGYUFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006792
CC1Cc2c(/C/1=N/O)ccs2	SCHEMBL9865307	167.228	OUCIIHJIBZXOEE-CMDGGOBGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006793
CC1(C)NC(=O)c2ccsc12	SCHEMBL17837194,MCULE-2838383519,EMOLS-id_110790260,PC-id_121408811	167.228	LOWDJYPIYKKQAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006794
Cc1nc2c(s1)CCC2C=O	SCHEMBL18654090	167.228	MIOINSWXGZZLKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006795
Cc1sc2c(c1)C(=O)C[C@H]2N	CoCoCo_5756457	167.228	UNXFBRUXOQOGHF-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006796
Cc1sc2c(c1)C(=O)C[C@@H]2N	CoCoCo_5756458	167.228	UNXFBRUXOQOGHF-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-006797
Cc1sc(C)c2c1CNC2=O	ZINC22_1536221889,EMOLS-id_315263382,MCULE-4044300974	167.228	QTWOYTUKSMTRCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006798
CCc1cc2c(s1)C(=O)NC2	SCHEMBL21152997	167.228	ANMJCHYLSLWMSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006799
CC(=O)c1cc2c(s1)CCN2	PC-id_96632639	167.228	NEJLMBZEIRMJPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006800
CC(=O)C1CCc2c1ncs2	SCHEMBL11983466,PC-id_57907419	167.228	GKLUTJMDKAJRPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006801
CC(=O)c1nc2CCCc2s1	EMOLS-id_36503417,PC-id_46784924,MCULE-6386832604	167.228	LDLALUDRYCZSDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006802
CC(=O)c1scc2c1CCN2	PC-id_96632638	167.228	QJSSOOODMGNZGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006803
CC(=O)c1scc2c1CNC2	PC-id_15284972,SCHEMBL9242229	167.228	BHZPQGVPBZPWAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006804
CC(=O)[C@@H]1CCc2c1ncs2	PC-id_57907446,SCHEMBL11983429	167.228	GKLUTJMDKAJRPC-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-006805
CC(=O)[C@H]1CCc2c1ncs2	PC-id_57907591,SCHEMBL11985526	167.228	GKLUTJMDKAJRPC-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006806
CC(=O)N1Cc2c(C1)ccs2	PC-id_140122526	167.228	FXODKDCXRKQXAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006807
CON=C1CCc2c1scc2	EMOLS-id_114398371	167.228	OYPJRXXUQIWJEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006808
NC(=O)c1cc2CCCc2s1	MCULE-5300561511,SCHEMBL2462740,EMOLS-id_37232432,ZINC22_37388146,PC-id_43236668	167.228	MWIPJPWFFMZWDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006809
NC(=O)c1scc2c1CCC2	PC-id_140638936	167.228	KTHHPDIMSHUNNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006810
O1c2[n+](n(c(c2CC)C)C)CC1	PC-id_15370109	167.228	YJCWKQFHXUXQOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006811
O=C1Nc2c(C1(C)C)scc2	PC-id_80501238,EMOLS-id_97197302	167.228	FQWDESWESQUFID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006812
O=Cc1cc2c(s1)N(CC2)C	PC-id_96632640	167.228	UZQFVGRLACZNOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006813
ON=C1C(C)Cc2c1scc2	PC-id_21815343,SCHEMBL9865445	167.228	UJBITORJWSPNEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006814
s1c2c(C(CC2=O)CN)cc1	PC-id_84049320	167.228	VRKQDSMBTFMKIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006815
s1c2CC(C(=NO)c2cc1)C	PC-id_21815339	167.228	OUCIIHJIBZXOEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006816
s1c2CC(C(=O)c2cc1)CN	PC-id_82413645	167.228	JLCDQPZNZQKSKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006817
s1c2C(CC(=O)c2cc1)CN	PC-id_84049322	167.228	GBDDDVHWFWGDQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006818
s1c2CCN(c2cc1C=O)C	PC-id_82413652	167.228	KGMTXJNTDBJSGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006819
s1c2c(CN(C2=O)C)c(c1)C	PC-id_59073860	167.228	ZQYQGOBNXPHXPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006820
s1c2CC(N)C(=O)c2cc1C	PC-id_82413646	167.228	VTHATSSAJBVIPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006821
s1c2C(N)CC(=O)c2cc1C	PC-id_391061	167.228	UNXFBRUXOQOGHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006822
S1c2n(CC1)ccc2C(=O)C	PC-id_14289891	167.228	IVPRKASFADFJOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006823
s1c2NC(=O)Cc2c(c1C)C	PC-id_22976054	167.228	MJUFYVOKXIVGDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006824
s1c(c2CCN(c2c1)C)C=O	PC-id_82413640	167.228	AEJJFEYMUVHBFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006825
s1c(c2CN(Cc2c1)C)C=O	PC-id_82413644	167.228	NQGMNVPGGUZMBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006826
s1c(c2N(CCc2c1)C)C=O	PC-id_82413638	167.228	JOMAPMBDGXPROF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006827
S(=O)(c1cn2c(c1)C=CC2)C	PC-id_11991264	167.228	JDANSCMZEATFFE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-006828
CCSc1cc2n(n1)CC=N2	SCHEMBL2266521,PC-id_67340776	167.231	QVZYGXURMOUBJL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006829
NC(=S)C1CCn2ccnc12	EMOLS-id_178073049,MCULE-2540121601	167.231	DUAFBHSVNAZCHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006830
NC(=S)c1n[nH]c2CCCc12	EMOLS-id_313866847,MCULE-7795838681	167.231	ALEJKDYWCZXIPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006831
NN=Cc1sc2c(n1)CCC2	EMOLS-id_114398202	167.231	LPYLJWDIOFSQGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006832
c12CSCc1scc2C#N	EMOLS-id_331060009,MCULE-7108508621	167.251	STKMDMIJKJRFJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006833
c12CSCc1sc(C#N)c2	PC-id_68341551,EMOLS-id_330873921,SCHEMBL12655215,MCULE-2383263484	167.251	CWTRXUWHYMHPDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006834
[C-]#[N+]c1sc2c(c1)CSC2	PC-id_58280896,SCHEMBL12622679	167.251	ANDNDAYXXWFYRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006835
c12CCCc1scc2CCN	EMOLS-id_31512728,PC-id_53213702,MCULE-6795280865	167.271	WKEQYMPFYAHWKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006836
c12C(CN)CCc1c(cs2)C	MCULE-2774803754,PC-id_67255999,SCHEMBL2035537	167.271	UYEBWPIRYKGCOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006837
c12ccsc1C(CC2N)(C)C	MCULE-9551589499,PC-id_102533928,EMOLS-id_42799139	167.271	JCJSEXMYMIJLNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006838
Cc1c2NCC(C)(C)c2sc1	MCULE-2282843661,EMOLS-id_96994514	167.271	KUCNLTQXOCCOJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006839
CC1Cc2c(C1CN)ccs2	PC-id_112714384	167.271	NEIFUPQGWPBKLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006840
CC1Cc2c(C1CN)csc2	PC-id_112714383	167.271	UXMGBCWZXQDZTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006841
CC1Cc2c(C1N)cc(s2)C	PC-id_112714390	167.271	FPPPXQVJHVRZKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006842
CC1Cc2c(C1N)sc(c2)C	PC-id_112714389	167.271	CVGANLFJAMFKHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006843
Cc1cc2NCC(C)(C)c2s1	EMOLS-id_194733170,MCULE-1933449872	167.271	VRYHDIOWGPYCSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006844
CC1CC(c2c1ncs2)(C)C	PC-id_89354085,EMOLS-id_114399792	167.271	HAQUOWFUHQUXOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006845
CC1(C)Cc2sccc2[C@@H]1N	EMOLS-id_337152715	167.271	WJRUEAXVHVUZCO-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006846
CC1(C)Cc2sccc2[C@H]1N	EMOLS-id_337153227	167.271	WJRUEAXVHVUZCO-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006847
CC1(C)C[C@H](N)c2ccsc12	ZINC22_57347061	167.271	JCJSEXMYMIJLNA-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006848
CC1(C)C[C@@H](N)c2ccsc12	ZINC22_57347064	167.271	JCJSEXMYMIJLNA-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006849
Cc1nc2c(s1)CCC2(C)C	EMOLS-id_114399919,SCHEMBL15160574,PC-id_89729318	167.271	GYJAVBHSCRGWKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006850
Cc1nc2c(s1)C(CC2C)C	PC-id_121324379,SCHEMBL17736430	167.271	HSRBQYQPDZBRLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006851
Cc1sc2c(c1)C(CN2)(C)C	PC-id_98012208	167.271	QCQIAUFPZXHNJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006852
Cc1sc2c(n1)CC(C2)(C)C	SCHEMBL17413508,PC-id_118642039	167.271	VSEQMCBXETYFOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006853
CCC1CCc2c1c(N)cs2	EMOLS-id_96203291,PC-id_114749291	167.271	XKSJBTFSZBRAGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006854
CCC1CCc2c1nc(s2)C	EMOLS-id_114399916	167.271	OETUNVJTLPHIFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006855
CC(C1CCc2c1ncs2)C	SCHEMBL12089003,PC-id_58125194	167.271	NSMWPSRSVGVSEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006856
CCc1csc2c1CN(C2)C	SCHEMBL19406819	167.271	RAIXNZWFZKPIBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006857
CCc1nc2c(s1)CCC2C	EMOLS-id_107527551,SCHEMBL15160567,PC-id_89729312	167.271	BIRCDUZOQPIZIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006858
CCc1sc2c(c1)CN(C2)C	SCHEMBL19406889	167.271	WQQCIGCHPSXQIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006859
CCc1sc2CCCc2c1N	EMOLS-id_324738632	167.271	SWRKHTQAUZSFGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006860
CC(c1sc2c(n1)CCC2)C	PC-id_20811744,SCHEMBL12128965	167.271	LBUMAFWRDUMLPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006861
CCc1sc(c2c1CCC2)N	PC-id_98774359	167.271	NUWQFYUNDBQNDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006862
CC(c1scc2c1CNC2)C	PC-id_18947043,SCHEMBL9408061	167.271	AEYCEJYWFWOKIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006863
CCCc1cc2c(s1)CNC2	PC-id_91391343	167.271	XPLRRJFKKGDFCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006864
CC(C)N1Cc2c(C1)scc2	PC-id_89658017,SCHEMBL15070178	167.271	ZCJVCBNVUHZXMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006866
C[C@@H]1CC(c2c1ncs2)(C)C	SCHEMBL14507491	167.271	HAQUOWFUHQUXOB-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006867
C[C@H](N)c1cc2CCCc2s1	EMOLS-id_313848767,MCULE-3856912371	167.271	PHMNUHYMQAHFFZ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-006868
C[C@@H](N)c1cc2CCCc2s1	MCULE-6026155684,EMOLS-id_313849023	167.271	PHMNUHYMQAHFFZ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006869
CC(N1Cc2c(C1)csc2)C	SCHEMBL13256466,PC-id_57931371	167.271	ALEWYNSOTXGTAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006870
CC(N)c1cc2CCCc2s1	PC-id_71670926,EMOLS-id_96290499,MCULE-6984162140	167.271	PHMNUHYMQAHFFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006871
CCNC1CCc2c1ccs2	PC-id_143347245	167.271	SSGPCCIZVKDTHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006872
CCNC1CCc2c1scc2	EMOLS-id_96111837	167.271	MDIONVHSWBFFLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006873
CN1Cc2c(C1)c(sc2C)C	SCHEMBL20892688,PC-id_122375106	167.271	AJUQKSFBTUMZNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006874
CNC1CCc2c1cc(s2)C	EMOLS-id_96082642,PC-id_59074320	167.271	OBCJNIQRKCFFEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006875
CN(C1CCc2c1ccs2)C	PC-id_67257464,SCHEMBL2039275	167.271	CGVCSMQITBRBPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006876
CNC1C(C)Cc2c1ccs2	PC-id_112714387	167.271	DTMXIGALAMSPAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006877
CNC1C(C)Cc2c1csc2	PC-id_112714386	167.271	VHCAIKSOJSNUBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006878
CNC1C(C)Cc2c1scc2	PC-id_112714385	167.271	NRAHPYUDXVWNQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006879
CNc1sc2c(c1C)CCC2	PC-id_143029545	167.271	VAISNDLKCKFTCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006880
CNCc1c2CCCc2sc1	EMOLS-id_96245043,MCULE-2043740853,PC-id_71670937	167.271	NMOKAOWINUDCDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006881
CNCc1cc2CCCc2s1	EMOLS-id_37550006,MCULE-1624848760,PC-id_43163684,SCHEMBL12797609	167.271	VYUBLOKSJNNYBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006882
CNCC1CCc2c1ccs2	PC-id_53239195,SCHEMBL2039276	167.271	PPLSPIZQQHAHBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006883
CNCC1CCc2c1scc2	SCHEMBL14903794,PC-id_89532835	167.271	APDAYQSLNYHJDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006884
CNC[C@@H]1CCc2c1scc2	SCHEMBL14903793,PC-id_53239628	167.271	APDAYQSLNYHJDV-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006885
CNC[C@H]1CCc2c1scc2	SCHEMBL14903797	167.271	APDAYQSLNYHJDV-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006886
NC1c2ccsc2CC1(C)C	SCHEMBL9865414,PC-id_20069465	167.271	WJRUEAXVHVUZCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006887
Nc1csc2c1C(C)(C)CC2	EMOLS-id_96203312,PC-id_121599874	167.271	UHALLHSOJAYFPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006888
NCC1CCc2c1c(C)cs2	PC-id_68335185,SCHEMBL12644781	167.271	LLLWUPMHGOMWRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006889
NCC1C(C)Cc2c1scc2	PC-id_112714382	167.271	KXOWSOJGSIHWMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006890
NCc1csc2c1C(C)CC2	PC-id_114748523,EMOLS-id_96203306	167.271	UVBJLZFUBYSJMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006891
NCCc1cc2CCCc2s1	MCULE-1970322942,EMOLS-id_313496000,PC-id_71670936	167.271	BWLQQTRHEXRNJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006892
NC[C@@H]1CCc2c1c(C)cs2	SCHEMBL12644764,PC-id_68335171	167.271	LLLWUPMHGOMWRJ-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006893
NC[C@H]1CCc2c1scc2C	PC-id_97102893	167.271	UYEBWPIRYKGCOU-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006894
NC[C@@H]1CCc2c1scc2C	PC-id_97102894	167.271	UYEBWPIRYKGCOU-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006895
s1c2C(CCc2cc1)CCN	PC-id_83905589	167.271	AHKGNPOFGHWDBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006896
s1c2C(CCc2cc1C)CN	PC-id_83905596	167.271	GAKGCFFWUHQGPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006897
s1c2c(CCC2)c(c1CN)C	PC-id_82597562	167.271	QZRGUSOQBWQRCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006898
s1c2C(CCc2cc1)C(N)C	PC-id_83905591	167.271	INCGJVGONJEGGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006899
s1c2c(CCC2)c(C(N)C)c1	PC-id_71670927	167.271	KBWXOTZYZWHHDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006900
s1c2c(C(CC2)CCN)cc1	PC-id_82413530	167.271	QOISHQLRGCRNDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006901
s1c2c(C(CC2)CN)cc1C	PC-id_83905595	167.271	MIDYASKGDNYXAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006902
s1c2c(C(CC2)C(N)C)cc1	PC-id_83905593	167.271	LXNXYZGYBQWQDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006903
s1c2C(CN(c2cc1)C)(C)C	PC-id_21300170	167.271	SYGUBOCXOFUSJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006904
s1c2c(CNC2)cc1C(C)C	PC-id_82413532	167.271	JZRRFIGNAMVPMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006905
s1c2c(C(N(C2)C)C)cc1C	PC-id_59074239	167.271	ULLMHPKRKYTOIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006906
s1c2c(C(N)CC2)cc1CC	PC-id_83905601	167.271	QAQSBLQFDCQXGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006907
s1c2c(C(N)CC2)c(CC)c1	PC-id_82378117	167.271	KFPVAXQAKMEFPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006908
s1c2c(C(NC)(CC2)C)cc1	PC-id_82597570	167.271	ZGRQFZRQRLDOQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006909
s1c2C(N(Cc2cc1)C)(C)C	PC-id_21300247	167.271	KHTJOKXTLHJNKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006910
s1c2C(N)CCc2cc1CC	PC-id_83905600	167.271	YQESDQSCJVLJSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006911
s1c2C(NC)CCc2cc1C	PC-id_83905598	167.271	ZFAVXADQGQWAFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006912
s1c2NC(C(C)C)Cc2cc1	PC-id_60123187	167.271	ZDMLZFPEJPNDMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006913
s1c(c2c(CCC2)c1C)CN	PC-id_82413518	167.271	JOVIELROSIXCMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006914
s1cc2C(CCc2c1)CCN	PC-id_83905590	167.271	UGNDHBDMPJFMHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006915
s1c(c2CCCc2c1)C(N)C	PC-id_82597563	167.271	VSFOMQFEUUCCKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006916
s1cc2C(CCc2c1)C(N)C	PC-id_83905592	167.271	INSKSJQIBYDUMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006917
s1cc2C(CCc2c1)CNC	PC-id_83905594	167.271	DCMGYDIBLWHVRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006918
s1cc2C(N(Cc2c1)C)(C)C	PC-id_21300251	167.271	KZGQYLJKRUTOHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006920
Clc1c(nn2CCCc12)C#N	EMOLS-id_324137015	167.596	IKUILRWLHUVLQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006921
Clc1nn2CCCc2c1C#N	EMOLS-id_324137014	167.596	VJUONABRAWKSNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006922
OB(Oc1cnc2n1CCC2)O	PC-id_142742536	167.958	XSJKZCVMWMGBTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006923
CC1=C2C(=CS1)C(=O)OC2=O	PC-id_148756445	167.988	OFRXPOVUZLXYSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006924
C=C1OC2=CSC(=C2O1)C=O	PC-id_154640283	167.988	DVYJUYUEHQJKDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006925
CC1=CSC2=C1C(=S)CC2	PC-id_165354937	168.007	GUHRVEKQCIHMTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006926
C1C2=CSC=C2CN1C(=O)[O-]	PC-id_154493510	168.012	IEMZITPIHHPROY-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-006927
C1CC2=C(C1C(=O)[O-])N=CS2	PC-id_154047298	168.012	XXEHSTZNECHDMR-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-006928
C1C(CC2=C1N=CS2)C(=O)[O-]	PC-id_153994957	168.012	BJZGYEIIYLMIMN-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-006929
C1N2C=CC=C2C(S1)C(=O)[O-]	PC-id_152748928	168.012	DBFXEXBZLIIWOM-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-006930
C1C(C(=O)c2cn(nc12)[AlH2])F	PC-id_163923519	168.028	RCLVJMNYVPIWCZ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-006931
C1C(C(=O)c2nn(cc12)[AlH2])F	PC-id_163892021	168.028	QCINRMIOXQYMIF-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-006932
C1CC2=C(C1)SC(=N2)C(=O)N	PC-id_154247325	168.036	UEFURAPAJQRSBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006933
CC(=O)C1CC2=C(S1)C=NN2	PC-id_148231472	168.036	KNVZGYOPMKSFIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006934
Cc1nn2c(c1N)CNC2=S	PC-id_163891965	168.047	BTWNNOLPKGRJIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006935
CC1=C2C(OC(=O)C2=C(N1)N)O	PC-id_163765639	168.053	MCANFNXWTNAWJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006936
CC1C(=Nn2c1nnc2P)C	PC-id_164075972	168.056	WTJYYWLAKVPBME-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-006937
CC1(CC2=C([C@H]1N)SC=N2)C	PC-id_148821088	168.072	ORUIELUGPPVBSK-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006938
CC1=CC2=C(S1)C(CN2C)N	PC-id_154934292	168.072	FEJMRECHPGNBCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006939
CC1=C(N2CCCC2=N1)SC	PC-id_155122560	168.072	WQFHVCDHOXZMCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006940
CC(C)C1=NC2=C(S1)NCC2	PC-id_155170567	168.072	AORBXPKKIWTELM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006941
CC1CC(C2=C1OC(=O)N2)CN	PC-id_164044729	168.09	VTGCHZYLUAFEAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006942
C1CN2C(=C(C(=O)N2C1)N)CN	PC-id_153692105	168.101	HLODKLQQTCZHSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006943
CCn1c(=O)n2CCN(c2n1)C	PC-id_164086035	168.101	XBWVCHSSMORMGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006944
c1(c(oc2c1OC(=O)C2=N)O)N	PC-id_137223577	168.107	MGJIJBHJXSYJII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006945
o1ncc2c1C(NC2=O)C(=O)O	PC-id_83816029	168.107	JUYXWKJYEITAMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006946
O=C1CC(=O)n2n1c(=O)cc2O	CoCoCo_5672308,CoCoCo_5672305,CoCoCo_5672307,CoCoCo_5672306	168.107	GJWWTHNJEXGERJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006947
C1C(=O)Nc2c(nnn12)C(=O)O	PC-id_136762373	168.11	POCZQMGDEHOSBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006948
C1C(=O)Nc2nc(nn12)C(=O)O	PC-id_136316350	168.11	KCXMRLRBEKTUID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006949
C(n1c2=NC(=O)N=c2[nH]c1=O)O	SCHEMBL3712027,PC-id_136394972	168.11	IYRMNFHQRTVOGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006950
p1c2CCCc2nn1C(=O)C	PC-id_15111728	168.133	RZRGCIDWPGAZSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006951
COC(=O)c1oc2c(c1)COC2	PC-id_117836081,SCHEMBL16418537	168.147	UYTLOIJHDYHFOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006952
o1c2CCC(O)(c2cc1)C(=O)O	PC-id_82413496	168.147	ORRDDVJABNWTJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006953
o1c2c(COC2)cc1CC(=O)O	PC-id_84765367	168.147	WUPDSNXHJULGOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006954
o1c2C(O)(CCc2cc1)C(=O)O	PC-id_83905658	168.147	FGGWMCCAPRXYHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006955
O1Cc2c(occ2C(=O)OC)C1	PC-id_13737515	168.147	YJONDDKKLLULPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006956
O1Cc2c(oc(c2C(=O)O)C)C1	PC-id_84765366	168.147	AKYRGAFWUQDNCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006957
OC1(CCc2c1coc2)C(=O)O	PC-id_83905659	168.147	YVLGFCXKUQVTSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-006958
c12CCOc1[nH]nc2CC(=O)O	MCULE-4070779205,PC-id_96738212	168.15	HHWOPLURIOAWOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006959
C1Cc2nc(c(n2C1)O)C(=O)O	PC-id_136305468	168.15	AJDOZOOEICZOOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006960
c1(C(=O)O)c2COCc2nn1C	PC-id_83862492,MCULE-2109744855,EMOLS-id_317873142	168.15	FHXSDCFRASBEGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006961
c1(C(=O)O)c(C)nn2CCOc12	EMOLS-id_54824106,MCULE-1252068096,PC-id_84038770,ZINC22_108367583	168.15	SWQZWGLSUHVBAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006962
c1(C(=O)O)nn2c(OCC2)c1C	EMOLS-id_42796296,PC-id_102533864,MCULE-8473018747,ZINC22_45930113	168.15	QLLBHAVNAKZPRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006963
Cc1oc2c(n1)CN(C2)C(=O)O	PC-id_68715137,SCHEMBL3615912	168.15	WCMRKVXFHSDSFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006964
CC1OCc2c1n[nH]c2C(=O)O	PC-id_44441320,CHEMBL393085,BindingDB_PC-id_44441320	168.15	MCHKCWAUKAOUQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006965
CCn1nc(c2c1OCO2)C=O	PC-id_96632537	168.15	HYHGAOAUHMKBRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006966
CN1CCc2c1onc2C(=O)O	PC-id_96632539	168.15	YVEOEFNDWQALOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006967
COC(=O)c1c2CCNc2no1	PC-id_137232181	168.15	KGEONLKLCCMAHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006968
COC(=O)c1cc2OCCn2n1	EMOLS-id_114400879	168.15	PZKYRUVWDWIQHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006969
COC(=O)c1n[nH]c2c1COC2	PC-id_86719875,SCHEMBL14487544	168.15	MGIAUIWCAZMVGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006970
COC(=O)c1noc2c1CCN2	PC-id_137214281	168.15	FTPTZYDKICWXOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006971
COC(=O)c1noc2c1CNC2	PC-id_117274239	168.15	UOGXXJXNOGWRPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006972
o1c2C(CCc2nc1N)C(=O)O	PC-id_83873711	168.15	XIRFXJXVBYSLHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006973
o1c2CCC(c2nc1N)C(=O)O	PC-id_83873712	168.15	WOLJMNNLDQRMCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006974
o1c2c(nc1CC(=O)O)CNC2	PC-id_83949328	168.15	TWWODBOLEJXGJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006975
o1c2C(N(Cc2nc1)C)C(=O)O	PC-id_82413462	168.15	UWYYWVHBTLUZTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006976
o1c2CNCc2nc1C(=O)OC	PC-id_84652932	168.15	WADKTITZEPLNIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006977
O1c2n(CC(=O)O)cnc2CC1	PC-id_82413476	168.15	FNIVQKHXSUOVEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006978
O1c2n(c(=O)[nH]c2CC1)CC=O	PC-id_82413475	168.15	YSLNUGPRCMKEBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006979
O1c2n(nc(c2CC1)C(=O)O)C	PC-id_82597598	168.15	BUBSSRNXLDWCPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006980
O1c2n(nc(c2)CC(=O)O)CC1	EMOLS-id_316791339,PC-id_82597602,MCULE-3989550798	168.15	OOHLMTYLFOOJMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006981
O1c2n(ncc2CC(=O)O)CC1	PC-id_84731725	168.15	KMEQKGFVCNLIJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006982
O1Cc2c([nH]nc2CC(=O)O)C1	PC-id_83862250	168.15	VXKFFZYAPOGRJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006983
O1Cc2n(c(=O)[nH]c2C1)CC=O	PC-id_82413473	168.15	BRMQVGROHBAXPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006984
O1Cc2n(nc(c2C1)C(=O)O)C	PC-id_83680004,SCHEMBL15730386	168.15	UPLNLGFYWCLWSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006985
O1CCc2c1nn(c2C(=O)O)C	PC-id_84076032	168.15	ZULJSNPJYFJGFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006986
O1CCn2c1nc(c2)CC(=O)O	PC-id_75355606	168.15	LXQQXKGLSFAOCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006987
O1CCn2c1nc(c2C(=O)O)C	PC-id_82413487	168.15	UDJCUBHUOFFGFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006988
O1CCn2c(c(nc12)C(=O)O)C	PC-id_82597605	168.15	ZINLZBNUGDCCFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006989
O1CC(n2nc(cc12)C)C(=O)O	PC-id_84652930	168.15	BPOMCUPCWZMJCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006990
o1nc2c(CNC2)c1CC(=O)O	PC-id_83862418	168.15	ZDDRDRLLFJQHAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006991
o1nc2C(NCc2c1C)C(=O)O	PC-id_82413491	168.15	QNZNFSOFXAIBGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006992
o1nc2CN(Cc2c1C(=O)O)C	PC-id_83862408	168.15	YYJVFCMCJDATBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006993
o1nc(c2CN(Cc12)C)C(=O)O	PC-id_82413456	168.15	VXFZKIPRQBSRRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006994
o1nc(c2CNCc12)CC(=O)O	PC-id_83862158	168.15	OQVBAQHKWRYZEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006995
o1ncc2CN(C(c12)C(=O)O)C	PC-id_82413468	168.15	MBHFBCPMMSSSCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006996
o1nc(c2C(N)CCc12)C(=O)O	PC-id_82413446	168.15	ASZUGAWFQAOHPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006997
o1ncc2C(N)(CCc12)C(=O)O	PC-id_83905661	168.15	GMHFVGNHYORIRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006998
o1nc(c2N(CCc12)C)C(=O)O	PC-id_82413478	168.15	HWQQSRVQTHHCRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-006999
o1[n+]([O-])c2CC(C(=O)c2n1)(C)C	PC-id_18957955,SCHEMBL9308323	168.15	GYVBIBUAZJSKMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007000
OC1Cc2cc(nn2C1)C(=O)O	EMOLS-id_324140855	168.15	CKVIKJUVGRDGPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007001
OC1CCc2c1c(n[nH]2)C(=O)O	PC-id_83863534,EMOLS-id_194642658	168.15	ONEUKRCICCVBAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007002
OC1(CCc2[nH]ncc12)C(=O)O	PC-id_83905660	168.15	AHICIJZCQFZZRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007003
OC1CCn2ncc(C(=O)O)c12	PC-id_83672070,EMOLS-id_324137528	168.15	HMARLFCXZBHVHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007004
OC(=O)C1Cc2[nH][nH]c(=O)c2C1	PC-id_82413470	168.15	XPIMVMPYZMMZTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007005
OC(=O)C1CCc2c1[nH][nH]c2=O	PC-id_82413472	168.15	VBHHHYHMXZTJJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007006
OC(=O)c1cc(c2n1CCO2)N	PC-id_98012205	168.15	IJAPYVIQAHGCRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007007
OC(=O)C1CCc2[nH][nH]c(=O)c12	PC-id_82413471	168.15	RVNCLNLZRSGQBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007008
OC(=O)c1cn2n(c1=O)CCC2	PC-id_141113500	168.15	SCHJOPOJTWDWFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007009
OC(=O)Cc1cnc2n1CCO2	PC-id_96632535	168.15	PXTNWAQDQWXAJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007010
OC(=O)Cc1ncc2n1CCO2	PC-id_96632534	168.15	HVEJHTXMRKZBIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007011
C1c2c(CN1)[nH]nc2NC(=O)O	PC-id_91491429	168.153	ZQJDWPIFOFCDAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007012
C1Cc2nc(c(n2C1)N)[N+](=O)[O-]	PC-id_137331604	168.153	DUQWCGBJOHYHKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007013
C1Cc2nc(c(n2C1)[N+](=O)[O-])N	PC-id_137331605	168.153	ACCZEJUGMGJBIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007014
C1Cn2c(nc(n2)CC(=O)O)N1	PC-id_136305466	168.153	PQHBLMLPUFXCDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007015
c1(cnn2CCN(C)c12)N(=O)=O	PC-id_91619120,MCULE-5807643200,SCHEMBL16469649,EMOLS-id_317869808	168.153	WJHDXOLDYKLHFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007016
CC1NNc2cc(nn12)C(=O)O	PC-id_136618551	168.153	ZXMAIJSOFBCSLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007017
COC(=O)c1c2NCCn2nn1	PC-id_136762374	168.153	AHFYBYJTTWUSRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007018
COC(=O)c1nn2CCNc2n1	PC-id_137200570	168.153	RNIPPCDUJRYHEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007019
n12CCCn1c(=O)c(N=O)c2N	MCULE-3994630724,PC-id_23104178,SCHEMBL2923582	168.153	JHTYIYCWMBTXOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007020
n1c(C(=O)CN)nn2CCOc12	MCULE-5303193141	168.153	KOORPDQLZTYPQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007021
n1nnn2c1CCC2C(=O)OC	SCHEMBL1155643,MCULE-5107182535,PC-id_57907640	168.153	LZEAULAJJYWKPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007022
NCCN1Cc2c(C1=O)non2	PC-id_96632525	168.153	FMVAYNKYPBPLBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007023
OC(=O)c1nn2CCN(c2n1)C	PC-id_82597612	168.153	PKBQETXBHCOPQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007024
OC(=O)c1nnn2CCN(c12)C	PC-id_82413421	168.153	PFVDBUCSBVZEFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007025
OC(=O)N1Cc2c(C1)[nH]nc2N	PC-id_67388880,SCHEMBL2387629	168.153	KHDGWHPQBXXPSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007026
ON1Cc2c(C1)nc([nH]2)C(=O)N	PC-id_118613856,SCHEMBL17380112	168.153	KPNHMQPLSVFWDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007027
[O-][N+](=O)c1n2CCN(c2nc1)C	PC-id_12397491	168.153	WTLOAPKHTXJFQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007028
FC1CCc2c1c(n[nH]2)C(=O)C	PC-id_105433702	168.168	BVCUMCUWYGGHJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007029
O=Cc1nn(c2c1C(F)CC2)C	PC-id_105433700	168.168	NYLJVHWCQUKTMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007030
O=Cc1n[nH]c2c1C(C)(F)CC2	PC-id_105433701	168.168	CIZFZTAWEALCDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007031
CC(=O)c1c([n+]2c(o1)CCC2)O	PC-id_137184788	168.17	SXJBTSOVSMMATM-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007032
s1c2c(cc1C)C(=O)OC2=O	PC-id_24975836	168.17	ZEUMDTUWCMZFID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007033
s1c2c(OCC2=O)cc1C=O	PC-id_82413418	168.17	UKXUYSQEADZBAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007034
s1c2OCC(=O)c2cc1C=O	PC-id_82413419	168.17	PCXYRAKHAHFPDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007035
s1c(c2c(OCC2=O)c1)C=O	PC-id_82413416	168.17	GQUWHALSWHCNFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007036
s1c(c2OCC(=O)c2c1)C=O	PC-id_82413417	168.17	DYTYVUCCFUUUBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007037
Cc1c2c(ns1)C(=O)NC2=O	SCHEMBL20272447,PC-id_135126976	168.173	ZOQLTZZSKTXPDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007038
Cc1nc2c(s1)C(=O)NC2=O	PC-id_59703749,SCHEMBL4403921	168.173	CNRJPRRLZSKRIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007039
NN1C(=O)c2c(C1=O)csc2	EMOLS-id_265207637	168.173	QNJSYHYTULCAIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007040
OC(=O)C1=Nc2c(C1)ncs2	PC-id_68538498,SCHEMBL3175694	168.173	SCPDIMGYVIHOPP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007041
OC(=O)Cc1c2[n+]([nH]c1)CCN2	PC-id_82413410	168.173	IOZMVPFXNAHBPD-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007042
s1c2c(N(N=O)CC2=O)cc1	PC-id_44133263	168.173	JWHDJPCMPVYIJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007043
C1CSc2n1c(N=C=O)nn2	PC-id_112716712	168.176	CCULDBPJJZRJPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007044
S1CCn2nc(nc12)N=C=O	PC-id_83914449	168.176	DMARZAJXEATQMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007045
[N+]1(n2c(C=N1)c(nc2N)N)(N)C	PC-id_69344430,SCHEMBL5182030	168.18	YMVIADREYULXCR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007046
CC(C1CCc2c1oc(=O)o2)C	SCHEMBL12864583,PC-id_58134157	168.19	KHCOTVFLTNGXFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007047
c12COCc1nn(CC)c2CO	MCULE-4834757739,EMOLS-id_324399960	168.193	QHMHOBUSLDYGGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007048
c12COCc1nn(CCC)c2O	EMOLS-id_324401235,MCULE-5283840287	168.193	IFQDEEHUMLFXQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007049
CC1Cc2c(C1(N)CO)cno2	PC-id_112714392	168.193	XXNPNIWDQMNVRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007050
CC1Cc2c(C1(O)CN)cno2	PC-id_112714391	168.193	NGLUSMKEPGNDCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007051
CC(n1cnc2c1OCO2)(C)C	SCHEMBL10050847,PC-id_59536709	168.193	SKIULMZIBIYRPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007052
CC(n1[nH]c2c(c1=O)COC2)C	PC-id_105433736	168.193	WCFINVCOXAZEFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007053
CC(n1[nH]c(=O)c2c1COC2)C	PC-id_105433732	168.193	DAMQAFVYMGNCLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007054
Cn1c(=O)c2c([nH]1)C(CC2)OC	SCHEMBL15867499,PC-id_90275117	168.193	SSMSYDLMOMKMAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007055
NCc1noc2c1COC2(C)C	EMOLS-id_96828455	168.193	YVPVWTCKTSGCLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007056
NCC(c1ccc2n1CCO2)O	PC-id_112489640	168.193	QYMICYPJOJXHPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007057
o1c2CCCc2nc1C(O)CN	PC-id_84731736	168.193	JOJHNGOTAVHSMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007058
o1c2C(CCc2[nH]c1=O)CCN	PC-id_83873767	168.193	WXBHHGOOCJWGAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007059
o1c2C(CCc2[nH]c1=O)CNC	PC-id_83873766	168.193	SNKKGVMSVJXXIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007060
o1c2C(NCc2nc1COC)C	PC-id_82373582	168.193	UVTCREAMRUONOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007061
o1c2c([nH]c1=O)C(CC2)CCN	PC-id_83873771	168.193	BBOMQTJUPIINET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007062
o1c2c([nH]c1=O)C(CC2)CNC	PC-id_83873770	168.193	ZMAXIGJETWTNCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007063
O1c2n(CC1)cc(c2)CNOC	PC-id_82597694	168.193	VRHXQWOUHHFEGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007064
O1c2n(CC1)c(cc2)CNOC	PC-id_82597695	168.193	BCCZUMARZSDJLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007065
O1c2n(CC1)c(c(n2)CCO)C	PC-id_83674230	168.193	BFLWONPCBNMIPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007066
O1c2n(c(CCO)c(n2)C)CC1	PC-id_83674337	168.193	CUUCYJKRBLIHIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007067
O1c2n(nc(c2CCO)C)CC1	PC-id_84731733	168.193	HZMQRJNEYULSAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007068
O1c2n(nc(CC(O)C)c2)CC1	PC-id_83675194	168.193	OJPPNDZYLINXNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007069
o1nc2c(C(O)CC2)c1CCN	PC-id_83863677	168.193	WKMXAHCLJOIBIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007070
o1nc2c(C(O)CC2)c1CNC	PC-id_83863679	168.193	JQFCNFSASRLVEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007071
o1nc(c2C(N)(CCc12)CO)C	PC-id_83905670	168.193	PVRSXXNNYZTEKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007072
o1nc(c2C(O)CCc12)CCN	PC-id_83863524	168.193	XQTVRZJMELQZPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007073
o1nc(c2C(O)CCc12)CNC	PC-id_83863526	168.193	AVPWQHOLFYRIRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007074
o1[nH]c2C(NCc2c1=O)C(C)C	PC-id_83846049	168.193	IPWWZRYVBDJBFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007075
o1[nH]c2C(N(Cc2c1=O)C)CC	PC-id_83846052	168.193	RAJHYSUMWFJGNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007076
o1[nH]c2C(N(Cc2c1=O)C)(C)C	PC-id_83846053	168.193	MTKLEZDFVPRQLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007077
o1[nH]c2CN(Cc2c1=O)C(C)C	PC-id_83846054	168.193	GIPNITRKBVSFAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007078
OC1(CCc2onc(c12)C)CN	PC-id_83905666	168.193	LFHVLRAMVKQSJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007079
OC1(CCc2oncc12)CCN	PC-id_83905667	168.193	JFFLVOVMPGSNPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007080
O=c1n([nH]c2c1CCC2)CCO	PC-id_66020841	168.193	GNCTUEKUXMDVBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007081
OCc1cnn2c1OC(C2)(C)C	EMOLS-id_324014468	168.193	JGMSUMBJLZUKAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007082
OCc1nc2c([nH]1)COC2(C)C	EMOLS-id_97123730	168.193	TWQHPYKCEUUXQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007083
OCCn1nc2c(c1O)CCC2	EMOLS-id_41628956	168.193	HSXUPOUKOVOOAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007084
OCC(O)c1n[nH]c2CCCc12	EMOLS-id_313880146,MCULE-4519330331	168.193	IDPMSKYENFUFDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007085
CC1Cn2n(C1)c(c(c2=O)N)N	SCHEMBL945448,PC-id_23104219	168.196	GSQAGIPYVRBLSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007086
CC(c1nnc2n1CCO2)(N)C	PC-id_96632379	168.196	YHKBVXUYTFQORW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007087
CC(Cc1nn2CCNc2n1)O	PC-id_137196347	168.196	RTTJMEABGAGCBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007088
CC(n1nc2n(c1=O)CCN2)C	PC-id_143847930	168.196	PNJGFRLJUAXELD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007089
CCOc1nn2c(c1N)NCC2	PC-id_136337849,SCHEMBL1075651	168.196	QFPSXFPTGLSDLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007090
CN1C(Cn2c1c(N)cn2)OC	PC-id_141348997	168.196	QXICUHFXBHDZNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007091
CNc1n2CCCn2c(=O)c1N	PC-id_23104174,SCHEMBL943470	168.196	WUSVFGHFENFCDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007092
CNCCc1nn2c(n1)OCC2	PC-id_96738444	168.196	WFJZXGZYXVMHCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007093
CNCCc1nnc2n1CCO2	PC-id_96738497	168.196	XSVHPAQESWDTPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007094
COc1nn2c(c1N)N(CC2)C	SCHEMBL694034,PC-id_66770248	168.196	OQTCKFMFDYNIJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007095
CONCc1ncc2n1CCN2	PC-id_96738504	168.196	DDYWODWSXUXDTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007096
CONCc1nnc2n1CCC2	EMOLS-id_265210964,PC-id_96850210	168.196	VRWWIQPVONKZGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007097
Nc1c(C)n2n(c1=O)CCC2N	PC-id_68826402,SCHEMBL3884618	168.196	OIISLGSDCZKHKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007098
NCC(c1nnc2n1CCC2)O	EMOLS-id_41747703,PC-id_66165256	168.196	MVECPDOAXLJXFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007099
NCCn1nc2n(c1=O)CCC2	PC-id_119028021	168.196	BABNWMSBTXCDOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007100
NCCn1[nH]c2c(c1=O)CNC2	PC-id_105433778	168.196	LUZPMLLOEWEVSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007101
O1CCn2c(nnc12)CCCN	PC-id_82413270	168.196	CJEZFJWVUNVWNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007102
O1CCn2nc(nc12)CCCN	PC-id_82597710	168.196	LERVRGUKLGDEAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007103
O=c1n(c2NCCc2[nH]1)CCN	PC-id_82413257	168.196	OFCLSJLJEIZQEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007104
O(Cc1n2CC(N)Cc2nn1)C	PC-id_82413277	168.196	ORDFXSYEZDIVCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007105
OCC(c1nnc2n1CCC2)N	PC-id_43142792,EMOLS-id_37528455	168.196	SQKZSFWMACUEKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007106
OCCN1Cc2c([nH]nc2N)C1	PC-id_83914451	168.196	AJORSGGWKUOGLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007107
OCCn1nc2c(c1N)CNC2	PC-id_105433773	168.196	MJEOTBJNLILWBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007108
OCCn1nc(c2c1CNC2)N	PC-id_105433774	168.196	UKYCKYUKDHSYJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007109
OCC(N)c1nn2CCCc2n1	PC-id_82597715	168.196	CCQPHMSJIOVBNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007110
ON1Cc2c(C1(C)C)[nH]nc2N	PC-id_122448087,SCHEMBL17970050	168.196	AIWHVHNMZMFZDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007111
CCC1NNc2c(c(nn12)N)N	PC-id_136655342	168.2	YJQJHTVGPCKTJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007112
c12C(C)CCc1n(nc2)CCF	MCULE-5151229324,EMOLS-id_331020260	168.211	JSLLQZUVEIMYKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007113
c12C(C)CCc1nn(CCF)c2	MCULE-1601743427,EMOLS-id_331003303	168.211	VXIKLSKVZVCLIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007114
C1Cc2c(C1)sc(c2O)C=O	PC-id_136328568	168.213	KROMLXGFMNWAIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007115
c1(C(=O)O)csc2CCCc12	ZINC22_19754878,PC-id_28318266,MCULE-3999014511,EMOLS-id_42782676	168.213	FOEWQEWMTUGMEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007116
c1(C(=O)O)scc2CCCc12	MCULE-9256810483,EMOLS-id_320441636,PC-id_82413251	168.213	WZDHSHKLYKPDMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007117
CC1(C)C(=O)c2c(S1)occ2	PC-id_14450463,MCULE-5886488933,SCHEMBL9865600	168.213	PWMBHNSEDATMEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007118
CC1(C)OC(=O)c2ccsc12	ZINC22_584907550,PC-id_121408828,EMOLS-id_110790257,SCHEMBL17837217,MCULE-5072899806	168.213	MDPWAXFQGBBQET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007119
CCC1OC(=O)c2c1ccs2	PC-id_58478814,SCHEMBL2197654	168.213	AINWNQIYRIGIFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007120
CCC1OC(=O)c2c1scc2	SCHEMBL2198596,PC-id_58478832	168.213	LAQPGFXJJQKREF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007121
CCC=C1Oc2c(O1)csc2	PC-id_140506931	168.213	HNFGGPLXSPSBMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007122
CC(=O)c1cc2c(s1)CCO2	PC-id_96632368	168.213	UROOJXMIWYABTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007123
OC(=O)c1cc2CCCc2s1	CK2061328,SCHEMBL2954334,SPECS-id_AN-153/KC16553,LAS-03107256,MCULE-9111637987,CoCoCo_278266,ZINC22_253416,EMOLS-id_853314,BindingDB_PC-id_770980,PC-id_770980	168.213	XSFUFVBXPLWNBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007124
OC(=O)C1Cc2ccsc2C1	EMOLS-id_48577498,SCHEMBL2460519,PC-id_86311852,MCULE-3558781460	168.213	NLRSWIIOLVHHQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007125
OC(=O)C1Cc2c(csc2)C1	ZINC22_34745675,PC-id_15814413,MCULE-1981316561,EMOLS-id_260325703,SCHEMBL7816570	168.213	ZPSKAIONUPCOJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007126
OC(=O)C1CCc2c1ccs2	SCHEMBL10743323,PC-id_20213656	168.213	UOGHRKNCEXFWNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007127
OC(=O)C1CCc2c1scc2	PC-id_20213619,SCHEMBL10653698	168.213	YRMLJIHDPINGDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007128
O=C(O)[C@@H]1Cc2ccsc2C1	ZINC22_22200344	168.213	NLRSWIIOLVHHQE-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007129
O=C(O)[C@H]1Cc2ccsc2C1	ZINC22_22200348	168.213	NLRSWIIOLVHHQE-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-007130
S1c2c(CC1)c(oc2C)C=O	PC-id_13595313	168.213	MCNZYTMOQUHIJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007131
s1c2c(C[C@@](O)(C2=O)C)cc1	PC-id_11367222	168.213	DUIITLACCKAUPF-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007132
s1c2c(C[C@](O)(C2=O)C)cc1	PC-id_11389622	168.213	DUIITLACCKAUPF-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007133
s1c2c(CC(O)(C2=O)C)cc1	PC-id_21578633	168.213	DUIITLACCKAUPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007134
s1cc2C(CCc2c1)C(=O)O	PC-id_83905671	168.213	ZRFAXMHBDXIPLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007135
c12CSCc1nn(C)c2C=O	PC-id_83871718,EMOLS-id_317871606,MCULE-3440369793	168.216	XERMWLQQWIZOCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007136
c1(C=O)c2CNCc2sc1N	MCULE-5024461978,EMOLS-id_331064620	168.216	KUQQBAWRRCKXHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007137
c1(C(=O)N)csc2CNCc12	EMOLS-id_331064107,MCULE-6520700805	168.216	QWOUDPHCNZWESE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007138
CC1(CSc2n1cnc2)C=O	PC-id_142636483	168.216	MSIIMGLIKLRJHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007139
Cc1nc2n(c1C=O)CCS2	EMOLS-id_5865883,PC-id_329967,ZINC22_11535679,CoCoCo_5595421,LI_185189,SPECS-id_AT-819/OC08121,MDPI-id_18614,CNP0037155,NSC315227	168.216	HNIQUAKMDYZYSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007140
CC=c1c2=NCCn2c(=O)s1	PC-id_89449350,SCHEMBL15865763	168.216	VQFCIZWLEVIGOE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007141
CCc1nc2c(s1)C(=O)NC2	SCHEMBL19352877	168.216	ZUWYRBHRTZNPDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007142
C/C=c
/sc(=O)n2c1=NCC2	PC-id_144522040	168.216	VQFCIZWLEVIGOE-GORDUTHDSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007143
C/C=c/1sc(=O)n2c1=NCC2	SCHEMBL14790832	168.216	VQFCIZWLEVIGOE-DJWKRKHSSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007144
CC([C@H]1COc2[n+]1cn[nH]2)(C)C	PC-id_144316288	168.216	FZSVDZMNOLECFW-ZCFIWIBFSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007145
CC(=O)c1cn2c(n1)SCC2	PC-id_15275357,SCHEMBL3458525	168.216	FWVPAEXGJNZJGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007146
CC(=O)c1n[nH]c2c1CSC2	PC-id_105433816	168.216	HKUUDNJGCHETPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007147
CN1Cc2c(C1=O)scc2N	SCHEMBL14532680,PC-id_89359560	168.216	VTZIRTKRBIYMEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007148
CN1Cc2c(C1)sc(n2)C=O	SCHEMBL14817814,PC-id_89468133	168.216	PAGKXDSDIQKMSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007149
NC(=O)C1Cc2c(C1)ncs2	PC-id_144972789	168.216	NSTDWFIRZOPSLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007150
NC(=O)C1CCc2c1scn2	SCHEMBL17332323,PC-id_118573644	168.216	KFWGZPSTHHSRCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007151
NC(=O)c1ccn2c1CSC2	SCHEMBL9197587,PC-id_19911329	168.216	AALKFJNRZXKTRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007152
NC(=O)C1SCn2c1ccc2	SCHEMBL9377913,PC-id_67835976	168.216	UDSUYKNXSFKRRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007153
NC(=O)N1Cc2c(C1)ccs2	PC-id_140122527	168.216	KHWMHLKAOXOMKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007154
O=Cc1nn(c2c1CSC2)C	PC-id_83871774,SCHEMBL20674094	168.216	OTVCVGRSPGLGPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007155
s1c2CCCc2nc1NC=O	PC-id_64991335	168.216	DDMZAEVYQHZSQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007156
s1c2c(c(CN)c1)C(=O)NC2	PC-id_82413238	168.216	SELRPRRFQYCTTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007157
s1c2c(C(N)CC2=NO)cc1	PC-id_85587952	168.216	QKCIDGCPOVKPHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007158
s1c2N(C(N)C(=O)c2cc1)C	PC-id_82413231	168.216	VVBRPGVSHDICLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007159
S1c2n(nc(c2)C(=O)C)CC1	PC-id_82652903	168.216	NNEVJOOTEJXZQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007160
S1CCn2c1nc(c2)CC=O	PC-id_83873803	168.216	KIVKFVJPZVDYJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007161
S1CCn2c1ncc2C(=O)C	PC-id_82413248	168.216	DIMRYEXSRWMXHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007162
S1CCn2c(CC=O)cnc12	PC-id_83873802	168.216	YURLROHPRNFROC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007163
S1CCn2c(c(nc12)C=O)C	PC-id_83873801	168.216	SEOKALXKRHPWIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007164
CSC1N=Nc2n1nc(c2)C	SCHEMBL2266220,PC-id_67340645	168.22	YTNDQPQGPDYOOA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007165
NC(=S)N1Cc2c(C1)c[nH]n2	MCULE-7837488238,EMOLS-id_96760506	168.22	MJAOUEYHYOZMHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007166
S1c2n(nc(c2)C(=N)N)CC1	PC-id_83677845	168.22	IOQLIGHBWHTLKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007167
S1CCn2c1ncc2C(=N)N	PC-id_83677434	168.22	WTQXGHUACVAVQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007168
S1CCn2c1nc(c2)C(=N)N	PC-id_83677847	168.22	REMNCHVNEXERMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007169
O=C=S1C=Cc2c1csc2	PC-id_142740285	168.236	VMNKOYHWWSPWPB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007170
C1=C(C(=S)c2c1[nH]nc2)S	PC-id_137186642	168.239	LLLNQKSTMQULPO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007171
C1(=S)n2cccc2C(=S)N1	ZINC22_216684090,SPECS-id_AG-777/40171060,MCULE-6271077313,EMOLS-id_194766071,PC-id_85795026	168.239	UOIYFIYBBBSTET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007172
S=C1c2c(NC1=S)c[nH]c2	PC-id_86054153	168.239	TZSUZJORTXCPNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007173
S=C1c2c(NC1=S)[nH]cc2	PC-id_86054167	168.239	LBDXMBYPBXAXBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007174
S=C1c2[nH]ccc2NC1=S	PC-id_86054162	168.239	HWZVLKDOSHBNRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007175
S=C1c2[nH]c(=S)[nH]c2C=C1	PC-id_45120839	168.239	TWQWKLDIIYZKDO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007176
S=C1NC(=S)c2c1c[nH]c2	PC-id_86054151	168.239	NIQKVHLXPZKWRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007177
S=C1NC(=S)c2c1[nH]cc2	PC-id_86054160	168.239	LMKLQOZSVHOGOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007178
S=c1[nH]c2=CC(=S)C=c2[nH]1	PC-id_45120840	168.239	XEUOMSOBIHDJNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007179
CC1Cc2c(C1O)cc(s2)C	SCHEMBL2921714,PC-id_21881000	168.256	DHAUHARXMREFSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007180
CCc1cc2c(s1)CCC2O	PC-id_91464076	168.256	NQPPXQLTEVLGND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007181
CCC1C(Cc2c1scc2)O	PC-id_89022745	168.256	FAJNMOJMAUFMKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007182
CCc1oc(c2c1CCS2)C	SCHEMBL2084687,PC-id_59760335	168.256	QGTMWOABWZSKBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007183
CCc1oc(c2c1SCC2)C	SCHEMBL2083804,PC-id_59760324	168.256	WGOVKGUWQDCYDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007184
CC(c1sc2c(c1)CCC2)O	PC-id_71670957,EMOLS-id_114404497	168.256	AOMVKZNPZYTHIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007185
CC[C@@H]1[C@H](O)Cc2c1scc2	SCHEMBL13139756	168.256	FAJNMOJMAUFMKS-HTQZYQBOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007186
C[C@@H](O)c1cc2CCCc2s1	MCULE-2295155509,EMOLS-id_314042302	168.256	AOMVKZNPZYTHIJ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007187
C[C@H](O)c1cc2CCCc2s1	MCULE-9816538569,EMOLS-id_313848511	168.256	AOMVKZNPZYTHIJ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-007188
OC1CC(c2c1ccs2)(C)C	PC-id_119027194	168.256	CACBIIIXAHGQLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007189
OCCc1cc2CCCc2s1	PC-id_71670929,MCULE-3391116207,EMOLS-id_313850557	168.256	DHVHXCJCFLOAOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007190
s1c2c(CCC2)c(CCO)c1	PC-id_71670928	168.256	JJTXXLKAYMTIDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007191
s1c2c(CCC2)c(C(O)C)c1	PC-id_71670956	168.256	AUESEWMCHFKITM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007192
S1C(Cc2c1c(oc2C)C)C	PC-id_13595307	168.256	YQDACFUZOOXIKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007193
c12CCCc1sc(CN)c2N	EMOLS-id_330867023,MCULE-6093606908	168.259	BMMYCGMUUHEZFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007194
c12C(C)(C)CCc1sc(N)n2	MCULE-3062433234,PC-id_45496802,EMOLS-id_29700831,ZINC22_38478427	168.259	MARLCVHEFBWNER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007195
c12CNCc1scc2CNC	EMOLS-id_331064363,MCULE-4004643280	168.259	NPNBDXBZUAHHQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007196
c12CN(Cc1scc2CN)C	EMOLS-id_331065638,MCULE-3740185403	168.259	PSDKCBRAVGUXMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007197
c12CN(Cc1sc(CN)c2)C	MCULE-1903310527,EMOLS-id_330871621	168.259	WXUURMDQUZJVNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007198
c1(CN)c2CCCc2sc1N	MCULE-4736017846,EMOLS-id_331062566	168.259	KKYUDSDEUDFOAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007199
CC1c2nscc2C(N1C)C	SCHEMBL13014906,PC-id_59616842	168.259	SRARRSPMXNOMOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007200
CC1c2scnc2C(N1C)C	PC-id_59616845,SCHEMBL13014904	168.259	YZYKXBYLJQRXPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007201
CC1CCn2c1c(C)[nH]c2=S	PC-id_134374223,SCHEMBL20002815	168.259	SDYQGKATXUZNBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007202
Cc1nc2c(s1)CCC2CN	EMOLS-id_96247712,PC-id_83873820	168.259	APMPTJJKYIMVLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007203
CCC1CCc2c1nc(s2)N	PC-id_116175988,EMOLS-id_96482885	168.259	CVMZWUKVUAIDKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007204
CC(c1cn2c(n1)SCC2)C	SCHEMBL13248348,PC-id_59416731	168.259	OOQKDEUFARKAOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007205
CC(c1cnc2n1CCS2)C	SCHEMBL12651955,PC-id_20664564	168.259	IHFLYUOVGMGFSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007206
CCc1nc2c(s1)CCN2C	SCHEMBL12344030,PC-id_68251378	168.259	DAFPSGHRZPQSRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007207
CCc1nc2c(s1)N(CC2)C	PC-id_68251375,SCHEMBL12344027	168.259	VUUHTEHBWSAZJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007208
CC(c1sc2c(n1)CNC2)C	PC-id_83682697,SCHEMBL19406818	168.259	MQCLDGIKROEFPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007209
CCc1sc2c(n1)CN(C2)C	SCHEMBL12344032,PC-id_68251380	168.259	PEOVZXQEKAHOFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007210
C[C@H](N)c1nc2CCCc2s1	ZINC22_11631710,EMOLS-id_96409008,PC-id_42077985	168.259	BUWLQLZMUBHORG-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007211
C[C@@H](N)c1nc2c(s1)CCC2	ZINC22_11631709,MCULE-3950207723	168.259	BUWLQLZMUBHORG-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007212
CC(N1Cc2c(C1)cns2)C	SCHEMBL19163976	168.259	DGJMENWGUNOIIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007213
CC(N1Cc2c(C1)csn2)C	SCHEMBL19163913	168.259	SBMOFXBEHFFZPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007214
CC(N1Cc2c(C1)ncs2)C	PC-id_118881021,SCHEMBL17516514	168.259	RUUQBMQHACKFBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007215
CCN1CCc2c1sc(n2)C	PC-id_89552761,SCHEMBL14930328	168.259	HQTRELISXKFRMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007216
CCn1c(=N)sc2c1CCC2	EMOLS-id_114404639	168.259	SUZQRRANKGEQNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007217
CC(N)c1nc2CCCc2s1	PC-id_24261659,MCULE-7103024741,EMOLS-id_36503419,CHEMBL4583583	168.259	BUWLQLZMUBHORG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007218
CCSc1[nH]c2c(n1)CCC2	EMOLS-id_97097512	168.259	VDPQZQKNCSQVOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007219
CNc1nc2c(s1)CCC2C	PC-id_65046749,EMOLS-id_40959110	168.259	BXNDYBNOJVOTMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007220
CNCC1CCc2c1ncs2	EMOLS-id_96409896,PC-id_83873818	168.259	ODSZWDUDUCMTJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007221
CNCc1nc2CCCc2s1	SCHEMBL14818731,EMOLS-id_36503413,PC-id_46784915	168.259	NVKJPXVPWJEOEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007222
n1c2CCCc2sc1CCN	EMOLS-id_25607277,ZINC22_11886680,PC-id_24274467,MCULE-7823868882	168.259	GANVHFMPFZZVEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007223
Nc1nc2c(s1)C(CC2)(C)C	SCHEMBL17398059,PC-id_118628333	168.259	NPISVRKNNIFDSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007224
Nc1sc2c(n1)CC(C2)(C)C	SCHEMBL17397968,PC-id_118628243	168.259	BYAACCDZPZAXNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007225
NCCc1scc2c1CCN2	PC-id_96632257	168.259	JTTJCXSYTDFMIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007226
NNCc1cc2CCCc2s1	MCULE-1143776004,ZINC22_19270599,PC-id_20114588,EMOLS-id_37378860	168.259	OSGQFTWCSLBJGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007227
s1c2CCC(c2nc1)CCN	PC-id_83873819	168.259	QWAMIFSUFMYNDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007228
s1c2C(CCc2nc1C)CN	PC-id_83873823	168.259	KWXOPZAVWUTKEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007229
s1c2C(CCc2nc1)CCN	PC-id_83873825	168.259	ZFBTVGUKGDSABM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007230
s1c2C(CCc2nc1)CNC	PC-id_83873824	168.259	RSNRDSGHHZZZDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007231
s1c2CCCc2nc1N(C)C	PC-id_12910390	168.259	RIXXYLUIWYPPFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007232
s1c2CCCc2nc1NCC	PC-id_62942354	168.259	IUGCWKSFCNFTQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007233
s1c2CCC(NC)c2nc1C	PC-id_83873821	168.259	IYLKCXSJPXCXQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007234
s1c2CCN(c2cc1CN)C	PC-id_82597803	168.259	XBXSRXCMQYJKSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007235
s1c2C(NC)CCc2nc1C	PC-id_83873826	168.259	UMVLEIXSPHXMDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007236
S1c2c(nn(C(C)C)c2)CC1	PC-id_59050210	168.259	ANPNPZCKNKPUJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007237
s1c(c2c(CNC2)c1)CCN	PC-id_82413103	168.259	ARGLLMROFIHWIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007238
s1c(c2CN(Cc2c1)C)CN	PC-id_82597802	168.259	UTAZHZPOSYFBNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007239
S1Cc2c([nH]c(c2CN)C)C1	PC-id_84765475	168.259	UCIBHMCKCCUHBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007240
S1Cc2c(nn(C(C)C)c2)C1	PC-id_59050161	168.259	PZNCNSFGBHSSOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007241
S1Cc2[nH]c(cc2C1)CCN	PC-id_84765478	168.259	RGRPVGFQOIFHPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007242
S1C(C(n2c1nc(c2)C)C)C	PC-id_59872179	168.259	MTLPPLIWOAYSIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007243
Sc1nc2c([nH]1)C(CC2)(C)C	EMOLS-id_114404630,PC-id_80123237	168.259	AMLBFOMVINBQSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007244
S=c1n(C)c2c(n1C)CCC2	PC-id_145769790	168.259	LYCMPRWNSIRRBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007245
S(c1n(nc2c1CCC2)C)C	PC-id_83871889	168.259	SFJGEMUIVGPSPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007246
SCCc1n[nH]c2CCCc12	MCULE-3168853828,EMOLS-id_313868368	168.259	QHOHQJAAAZJHFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007247
CC1=S=C(c2c1csc2)C	PC-id_102042075	168.279	ANPIYDUPLHIOJZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007248
CC(C)[n+]1c2CCCc2cs1	PC-id_90395193,SCHEMBL16018978	168.279	QUICBUFPWJRQJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007249
CC(C)[n+]1csc2c1CCC2	PC-id_90395202,SCHEMBL16018988	168.279	VLYULJIYYPFPNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007250
C[NH+]1Cc2c(C1)c(sc2C)C	PC-id_122375105	168.279	AJUQKSFBTUMZNK-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-007251
[NH3+]CCc1csc2c1CCC2	GD-id_ZINC49454874	168.279	WKEQYMPFYAHWKC-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-007252
s1c2c(CC(C2=S)C)cc1	PC-id_85523190	168.279	AYFRCJNWQHTHAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007253
s1c2C[N+](Cc2c(c1)C)(C)C	PC-id_60081313	168.279	PCAHQEFEDZJEAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007254
s1c2C[N+](Cc2cc1C)(C)C	PC-id_60081319	168.279	KJQMENHSLCIXCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007255
s1c(c2C[N+](Cc2c1)(C)C)C	PC-id_60081324	168.279	NURYRRDUORTXKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007256
C1Cn2c(c(nc2N1)Cl)C#N	PC-id_137204324	168.584	GJUCEPCRXCTGJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007257
C1C2=C(CN1C(=O)[O-])SC=N2	PC-id_164947902	169.008	ADBWTRGLXMVSIY-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-007258
C1C2=C(CS1)NN=C2C(=O)[O-]	PC-id_153795589	169.008	UPGCPKMSUIFDIM-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-007259
C1C(CC2=C1N=CS2)C(=O)O	PC-id_153994958	169.02	BJZGYEIIYLMIMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007260
C1C(Nc2c1occ2)C(=O)S	PC-id_163739305	169.02	LGJGXUUYYYSPHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007261
C1C(SC2=CNC=C21)C(=O)O	PC-id_153307468	169.02	OGUDUCHFTQLNKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007262
C1C(N2C=CN=C2S1)C(=O)N	PC-id_153975287	169.031	CMFIIBGHTXZIAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007263
CC1(C2=C(C=CS2)C(N1)O)C	PC-id_164009147	169.056	UPPRPAZNAZUCTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007264
[se]1c2c(CC=C2)cc1	PC-id_57952939	169.083	HWHCLVYGPXQSGK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007265
[se]1c2=CCC=c2cc1	PC-id_59566422	169.083	FWQCQOHBCHDGLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007266
C[C@@H]1Cn2cc(nc2O1)N(C)O	PC-id_163670455	169.085	JCBZLERTZJKMAT-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007267
COCC1CN2C(=C(C=N2)N)O1	PC-id_155110709	169.085	VXWQBVFLPTVCAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007268
O=C1CC(=O)n2n1c(=O)[nH]c2=O	PC-id_14933933,SCHEMBL11311933	169.095	JKUXOOHLOLJLPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007269
FC1(F)Cc2c(cnn2C1)C#N	MCULE-5660149692,EMOLS-id_320440853	169.132	YDDFDLBSPAAWMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007270
FC1(F)Cc2cc(nn2C1)C#N	MCULE-6086066630,EMOLS-id_320438805	169.132	OAINXAQJDVFFAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007271
COC(=O)c1noc2c1CCO2	PC-id_117274709	169.135	IYIJMOLCRKWENL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007272
NC(=O)Cc1occ2c1OCO2	PC-id_140298987	169.135	IQBZOXDGJHDJPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007273
o1c2C(CCc2[nH]c1=O)C(=O)O	PC-id_83873832	169.135	WXCMTPXXYXXITJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007274
o1c2CCC(c2[nH]c1=O)C(=O)O	PC-id_83873833	169.135	RHCOEHFGZZCIOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007275
O1c2c(onc2CC(=O)O)CC1	PC-id_82412978	169.135	MTNSTGXLUSTBRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007276
ClC(=O)C1CCn2c1ccc2	PC-id_140799844	169.608	LNRRESKWYAARQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007482
O1Cc2c(noc2CC(=O)O)C1	PC-id_83862417	169.135	QLURKRLUBIXLBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007277
O1Cc2c(onc2CC(=O)O)C1	PC-id_83862157	169.135	XGAPALRKLLTRPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007278
o1nc(c2C(O)CCc12)C(=O)O	PC-id_83863523	169.135	UGWGRQLETHIMEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007279
o1[nH]c2C(CCc2c1=O)C(=O)O	PC-id_83668781	169.135	ABZWXAGOIPIDOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007280
o1[nH]c(=O)c2C(CCc12)C(=O)O	PC-id_82412999	169.135	NAZYVVAZVWKLNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007281
o1[nH]c(=O)c2CC(Cc12)C(=O)O	PC-id_82413000	169.135	PQDMOFILLZTQQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007282
o1[nH]c(=O)c2CCC(c12)C(=O)O	PC-id_83668782	169.135	FJFFUQQRNJJGCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007283
OC1c2n(C=C1O)cc(O)c2O	PC-id_67341891,SCHEMBL2269680	169.135	AEKUWGSIZSGVAH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007284
OC1CCc2noc(c12)C(=O)O	PC-id_83863676	169.135	ICJIQQZLCZAFBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007285
OC1(CCc2oncc12)C(=O)O	PC-id_83905706	169.135	RPNDNVXJGILFBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007286
OC1=C(O)c2n(C1)cc(c2O)O	PC-id_67407965,SCHEMBL2438751	169.135	JRHJLTNNHYHETJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007287
CC1Cn2cc([N+](=O)[O-])nc2O1	PC-id_460732,CHEMBL155455,SCHEMBL5544495	169.138	NUCGDAFGCCIOTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007288
CC1Cn2c([N+](=O)[O-])cnc2O1	PC-id_468934,CHEMBL155403	169.138	WXPYBUNRDDNOHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007289
C[C@@H]1Cn2c(O1)ncc2[N+](=O)[O-]	PC-id_92283556	169.138	WXPYBUNRDDNOHK-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007290
C[C@H]1Cn2c(O1)ncc2[N+](=O)[O-]	PC-id_92283571	169.138	WXPYBUNRDDNOHK-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007291
O1C(Cn2c1c(nc2)[N+](=O)[O-])C	PC-id_49771194	169.138	CVHXMHOYNTWHFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007292
O1CC(n2c1nc([N+](=O)[O-])c2)C	PC-id_13438461	169.138	OOILAUKRLRSYCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007293
O1CCn2c(nnc12)CC(=O)O	PC-id_82597847	169.138	BKLXMDHSRUHSBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007294
O1CCn2nc(nc12)CC(=O)O	PC-id_82597846	169.138	DAMPZHRLULFYIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007295
O1[C@@H](Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL14642152,PC-id_73953236	169.138	NUCGDAFGCCIOTC-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007296
O=c1[nH][nH]c2C(NCc12)C(=O)O	PC-id_82412969	169.138	DWGGOCICJOIRAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007297
OC(=O)C1CCc2n[nH]c(=O)n12	MCULE-5474752538,EMOLS-id_42802848,SCHEMBL4503630,PC-id_92020829	169.138	XYXYALXHEHBWMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007298
OC(=O)[C@@H]1CCc2n[nH]c(=O)n12	EMOLS-id_108785882,ZINC22_57354426,SCHEMBL20815566,MCULE-2155779968	169.138	XYXYALXHEHBWMU-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-007299
O=C(O)[C@H]1CCc2n[nH]c(=O)n12	ZINC22_57354425	169.138	XYXYALXHEHBWMU-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007300
OC(=O)Nc1cnn2c1OCC2	SCHEMBL18421072	169.138	RWWDYRIMKGWKNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007301
ON1Cc2c(C1)nc([nH]2)C(=O)O	PC-id_118613810,SCHEMBL17380065	169.138	OGZHRAJFCFZNFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007302
ONC(=O)c1cc2n(n1)CCO2	EMOLS-id_114405904	169.138	UDSUOXYSIJOIQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007303
[O-][N+](=O)c1cn2n(c1=O)CCC2	PC-id_141116841	169.138	XJTDLZYPMUKXBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007304
c12NONc1[nH]c(NC(=N)N)n2	ZINC22_40174021,EMOLS-id_31521075,PC-id_43839762,MCULE-7988664989	169.145	ANEPFDBCDZQMPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007305
Fc1c2CCCc2[nH]c1C(=O)O	SCHEMBL8153488,PC-id_57659857	169.153	GSDBWUMRBXBFCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007306
FC1CCc2c1c(no2)C(=O)C	PC-id_105434014	169.153	MBPFTZASRNMOLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007307
O=Cc1noc2c1C(C)(F)CC2	PC-id_105434013	169.153	BMMFRLBVLUEJQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007308
Cc1nc2c(s1)C(=O)OC2=O	SCHEMBL4878057,PC-id_14823566	169.158	VMJKLYRJAUHDNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007309
O=C1NC(=O)c2c1c(N)sn2	PC-id_21285246,SCHEMBL10691641	169.161	KGWDYSKDBOMDPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007310
OC1C(O)Cn2c1c(cc2)CO	PC-id_14287859	169.178	XODKYKKKOFTDOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007311
OCc1noc2c1COC2(C)C	EMOLS-id_194506638	169.178	MICLNGFQKKERKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007312
O[C@@H]1[C@H](O)Cn2c1c(cc2)CO	PC-id_180309	169.178	XODKYKKKOFTDOE-HTRCEHHLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007313
CCCn1nc(c2c1OCO2)N	PC-id_96632047	169.181	MDFUNQJAMIRYSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007314
CCN1C(N)Oc2c1oc(c2)N	PC-id_69288265,SCHEMBL5036391	169.181	LFGBMLBOJUAAFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007315
COc1nc2c(n1C)CN(C2)O	SCHEMBL17380104,PC-id_118613848	169.181	NKJXEHPXGLJEHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007316
COC[C@@H]1Cn2c(O1)c(cn2)N	SCHEMBL20939619,PC-id_138580743	169.181	VXWQBVFLPTVCAI-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007317
NCCn1[nH]c2c(c1=O)COC2	PC-id_105434077	169.181	NRTSEHMZKGGREC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007318
O1c2c(nn(c2OC1)C)CCN	PC-id_82412860	169.181	BUPCNZQEJKEZDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007319
O1c2n(CCN)c(=O)[nH]c2CC1	PC-id_82412904	169.181	IINVSJZFGPDPNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007320
O1c2n(nc(c2)CNOC)CC1	PC-id_82597949	169.181	AKKWSEVMVBALOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007321
O1c2n(nc(C(N)CO)c2)CC1	PC-id_82597915	169.181	RVZSINFQDAOFOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007322
O1CCn2c1nc(c2)CNOC	PC-id_82597952	169.181	RWMAOCADNCOMFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007323
O1CCn2nc(nc12)CC(O)C	PC-id_83675183	169.181	TWINBJITRHIWDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007324
o1nc2CN(Cc2c1N)CCO	PC-id_83914475	169.181	PNYNZMBHXNONJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007325
OCCn1nc2c(c1N)COC2	PC-id_105434074	169.181	GTSPXSDEYUWLBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007326
OCCn1nc(c2c1COC2)N	PC-id_105434075	169.181	BBBMATUOINBSNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007327
OCCn1[nH]c2c(c1=O)CNC2	PC-id_105434076	169.181	IOQITNZPRXTYTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007328
c12N(C)CCn1nc(CNO)n2	MCULE-9204688280	169.184	DPZUIVGNCZDKAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007329
C1Cn2c(nc(n2)C(CN)O)N1	PC-id_137230945	169.184	CIMRLAFYWSMUNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007330
C1Cn2c(nc(n2)C(CO)N)N1	PC-id_137230944	169.184	DXGNSQUTZCKEGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007331
CONCc1nn2CCNc2n1	PC-id_136308616	169.184	MVTPLVXGSRFPFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007332
CN1Cc2c(nc(n2N1N)N)N	PC-id_91539765	169.188	YLJGVZMSSWHXOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007333
c12CC(Cc1n(nc2CN)C)F	PC-id_83854579,MCULE-6598115932	169.199	BDWKMCRMLJXARY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007334
c1(N)n(CCF)nc2CCCc12	EMOLS-id_324390745,MCULE-8610663084	169.199	BBAZLAUQEHSEOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007335
CCC1CC(c2n1nc(n2)C)F	PC-id_137412571,SCHEMBL20645986	169.199	BYBXQVVCGIZZGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007336
CCn1nc(c2c1CCC2F)N	PC-id_105434101	169.199	VOXCXZOBCFGPAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007337
Cn1nc(c2c1CCC2(C)F)N	PC-id_105434102	169.199	KGZFYAWSUUTDRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007338
FCCNC1CCn2c1ncc2	EMOLS-id_265226063	169.199	BXPUVVFWHMIPCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007339
NCc1nn(c2c1C(F)CC2)C	PC-id_105434103	169.199	VIGHYKTZGCMRAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007340
NCc1n[nH]c2c1C(C)(F)CC2	PC-id_105434104	169.199	DPZKRHUFLPHTTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007341
NCC(F)c1n[nH]c2CCCc12	MCULE-9932900701,EMOLS-id_313883226	169.199	GUVCZQMUAOKCNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007342
c1(C=O)c2COCc2sc1N	MCULE-4806752358,EMOLS-id_331059247	169.201	ZADMRIQZFSOKHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007343
c1(C(=O)N)csc2COCc12	PC-id_69187163,EMOLS-id_331062829,SCHEMBL4781326,MCULE-5987863188	169.201	HHTTVYKQBFNNHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007344
c1(C(=O)O)csc2CNCc12	EMOLS-id_331066410,MCULE-7547107137	169.201	PYDXBBSLNLSEMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007345
c1(C(=O)O)sc2c(CCC2)n1	SCHEMBL8003326,EMOLS-id_36503407,ZINC22_20442143,PC-id_28950332,MCULE-1584203578	169.201	MDBJAVUQMPHOKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007346
c1(csc2CCCc12)N(=O)=O	EMOLS-id_330872897,MCULE-1546796657	169.201	NATFTFYWUJZBCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007347
COc1cc2c(s1)C(=O)NC2	PC-id_139307479,SCHEMBL21152275	169.201	ZZTGGOBIIGTULO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007348
N[C@H]1c2ccsc2C(=O)[C@@H]1O	CoCoCo_5678176,ZINC22_3594157	169.201	QBYRVKQYQIOGJB-CRCLSJGQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007349
N[C@@H]1c2ccsc2C(=O)[C@@H]1O	ZINC22_1616669,CoCoCo_5678175	169.201	QBYRVKQYQIOGJB-RFZPGFLSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007350
N[C@@H]1c2ccsc2C(=O)[C@H]1O	ZINC22_3594155,CoCoCo_5678177	169.201	QBYRVKQYQIOGJB-UHNVWZDZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007351
N[C@H]1c2ccsc2C(=O)[C@H]1O	ZINC22_3594158,PC-id_5387247,CoCoCo_5678174	169.201	QBYRVKQYQIOGJB-WHFBIAKZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007352
O=C1Nc2c(C1O)scc2C	EMOLS-id_97207365	169.201	BWMOYFPLXJTDNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007353
OC(=O)c1cc2CNCc2s1	PC-id_55252786,EMOLS-id_329925358	169.201	LGDPBUOYRIUSJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007354
OC(=O)c1cc2c([nH]1)CCS2	SCHEMBL8163394,PC-id_59180238	169.201	FJNLDXICCKXBHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007355
OC(=O)c1cc2c(s1)NCC2	PC-id_96631991	169.201	SNYJFBITHYOOEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007356
OC(=O)C1CCc2c1scn2	SCHEMBL15903239,PC-id_83873884	169.201	BRIRCZHMOFTJIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007357
OC(=O)C1CCc2scnc12	SCHEMBL1156040,EMOLS-id_96160522,PC-id_58125051	169.201	XXEHSTZNECHDMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007358
OC(=O)c1[nH]cc2c1CCS2	PC-id_112545280	169.201	PBMXCQZTGVLSTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007359
OC(=O)c1scc2c1CCN2	PC-id_96631992	169.201	ZCXXATOXNUBYKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007360
OC(=O)c1scc2c1CNC2	PC-id_18947066,SCHEMBL9408075	169.201	WNKMMGCXFRBARN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007361
OC(=O)C1SCn2c1ccc2	PC-id_67812719,SCHEMBL9277946	169.201	DBFXEXBZLIIWOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007362
OC(=O)[C@H]1CCc2c1ncs2	SCHEMBL1155883,PC-id_57907532	169.201	XXEHSTZNECHDMR-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007363
O=C(O)[C@@H]1CCc2scnc12	SCHEMBL1155474,PC-id_57907526,ZINC22_82401511	169.201	XXEHSTZNECHDMR-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007364
OC(=O)N1Cc2c(C1)csc2	SCHEMBL9243016,PC-id_67804174	169.201	IEMZITPIHHPROY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007365
s1c2CCNc2cc1C(=O)O	PC-id_82412842	169.201	AYTFORAGEFQRGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007366
s1c2c(C(N)C(O)C2=O)cc1	PC-id_498286	169.201	QBYRVKQYQIOGJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007367
s1c2NC(Cc2cc1)C(=O)O	PC-id_60123186	169.201	BIQLJMAEQUISBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007368
s1cc2[C@@H](N)[C@@H](O)C(=O)c2c1	PC-id_9989639	169.201	AMMGUUQWKZPNDN-IYSWYEEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007369
s1cc2C(N)C(O)C(=O)c2c1	PC-id_85085326	169.201	AMMGUUQWKZPNDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007370
S1Cc2c(onc2C(=O)C)C1	PC-id_82412839	169.201	KCBBGMULSVGJLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007371
S1Cc2[nH]c(cc2C1)C(=O)O	PC-id_84765601	169.201	VXAWTAWKLWGSHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007372
s1nc2CC(Cc2c1)C(=O)O	PC-id_82412844	169.201	HYVAJWDEYYVAGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007373
s1nc2CCC(c2c1)C(=O)O	PC-id_82412845	169.201	LOIZYAJESMYEEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007374
s1n(c(=O)c2CCCc12)C=O	PC-id_42599363	169.201	RWYINULNDHRXTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007375
C1CSc2nc(cn12)C(=O)N	SCHEMBL15485795,PC-id_89978644	169.204	BKDLHAYYMUXXSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007376
C1SCc2c1c(NC=O)[nH]n2	SCHEMBL18366315	169.204	FYAMSCOCBZFATA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007377
NC(=O)C1Cc2c(N1)scn2	PC-id_68539126,SCHEMBL3177527	169.204	JGLNNRGGSCQNSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007378
NC(=O)C1Cn2c(S1)ncc2	PC-id_141210794	169.204	NRFZPPAPVDVUHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007379
NC(=O)c1sc2c(n1)CNC2	SCHEMBL12101162,PC-id_70665580	169.204	LXOMUUFOWPLARS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007380
s1c2c(nc1CN)CNC2=O	PC-id_83816122	169.204	XTYPYIBSWLTCCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007381
s1c2c(nc1N)C(NC2=O)C	PC-id_83816123	169.204	XQDNTZVPNTVZGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007382
s1c2c(N(C(N)C2=O)C)nc1	PC-id_82412832	169.204	IOIVUJARYNDQCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007383
s1c2CNC(=O)c2nc1CN	PC-id_83670593	169.204	CCSULWGNTYBMIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007384
S1c2n(nc(n2)CC)C(=O)C1	PC-id_82357916	169.204	QQRGQNFXLXNUKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007385
S1CCn2c1nnc2C(=O)C	PC-id_82597985	169.204	JMBRRWLXAGIRKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007386
S1CCn2nc(nc12)C(=O)C	PC-id_82597981	169.204	LKWSTLQLHIFLJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007387
S1CCn2nc(nc12)C(=N)N	PC-id_53907029	169.208	IBBKYFHZEJKPDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007388
O=C1c2ccoc2[SH]C1(C)C	SCHEMBL10570772	169.221	VEHQEKGDKRHPOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007389
c12CCCc1sc(CO)c2N	EMOLS-id_330866767,MCULE-9654724665	169.244	XBTNLZYQTKVJFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007390
c12CN(Cc1scc2CO)C	MCULE-4224374589,EMOLS-id_331065382	169.244	KBOAKNKGDOKCHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007391
c12CN(Cc1sc(CO)c2)C	EMOLS-id_330871365,MCULE-7242064725	169.244	UUAXFVNDWGQJEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007392
c12COCc1scc2CNC	MCULE-7610150703,EMOLS-id_331063085	169.244	LLODDEIXROPLMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007393
C1C(C(c2c1scc2)CN)O	SCHEMBL14531183,PC-id_89358901	169.244	HZDINTYSCBERDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007394
c1(CO)c2CCCc2sc1N	EMOLS-id_331062310,MCULE-1769819453	169.244	WPDWXZZPUGIKHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007395
CC1CCc2c1nc(s2)CO	SCHEMBL12877429,PC-id_88973814	169.244	NUQIJUSNFCIHBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007396
CC1CCc2c(CS)noc12	EMOLS-id_259607220,MCULE-2502538525	169.244	OEIOTXNSDJAGPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007397
Cc1sc2c(n1)C(OC2)(C)C	EMOLS-id_114408576	169.244	NGRAGWJUWCSJIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007398
CCC1CCc2c1nc(o2)S	PC-id_106799065,EMOLS-id_97125050	169.244	BULPFUBHLHUGKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007399
CC(c1nc2c(s1)OCC2)C	SCHEMBL14925532,PC-id_89548608	169.244	JNEGMGXGFSUTDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007400
CCn1sc2c(c1=O)CCC2	PC-id_13747912,SCHEMBL9196332	169.244	AFPAOCRYSHUUPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007401
COc1sc2CCCc2c1N	EMOLS-id_324736584	169.244	YJKSGFLXAYHVCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007402
n1c2CCCc2sc1C(C)O	MCULE-6761106756,PC-id_46784925	169.244	CYMDMTMHLCFYRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007403
Nc1csc2c1C(C)(C)OC2	EMOLS-id_96828316	169.244	FVLNWHMNTMNOTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007404
NCCc1cc2c(s1)OCC2	PC-id_96739316	169.244	XJEZFUNUMATQBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007405
NOCc1cc2CCCc2s1	EMOLS-id_313836470,MCULE-5374112896	169.244	COOBTIKBUYDLBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007406
O=c1sc2c([nH]1)C(CC2)(C)C	EMOLS-id_42569279,PC-id_79857896	169.244	VZNBCUNUALCFNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007407
OCCc1nc2CCCc2s1	EMOLS-id_277350557,MCULE-1886206029	169.244	FGOWLBYEGOEKQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007408
ONCc1cc2CCCc2s1	MCULE-6646884068,EMOLS-id_313813699,PC-id_82598051	169.244	YHLSBRSMTKKOCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007409
s1c2C(CC(N)c2cc1)CO	PC-id_72982809	169.244	JMRKLBOCJADLTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007410
s1c2CC(C(O)c2cc1)CN	PC-id_82412718	169.244	MWGMNGRSYJMPFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007411
s1c2C(CC(O)c2cc1)CN	PC-id_84049323	169.244	SEQQPZVJZHSDDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007412
s1c2c(C(N)(CC2)CO)cc1	PC-id_83905719	169.244	PBXYCZNFTADTEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007413
s1c2c(COC2)cc1C(N)C	PC-id_82412711	169.244	SXMBENRVWUQJGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007414
s1c2c(C(O)(CC2)CN)cc1	PC-id_55269075	169.244	JVOFKMBHTNEKPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007415
s1c2[C@@H](C[C@@H](N)c2cc1)CO	PC-id_11492006	169.244	JMRKLBOCJADLTQ-CAHLUQPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007416
s1c2[C@H](C[C@@H](N)c2cc1)CO	PC-id_11535625	169.244	JMRKLBOCJADLTQ-IYSWYEEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007417
s1c2[C@H](N)[C@](O)(Cc2cc1)C	PC-id_11263733	169.244	SDYWYCZVZLQKKE-JGVFFNPUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007418
s1c2[C@@H](N)[C@](O)(Cc2cc1)C	PC-id_11389641	169.244	SDYWYCZVZLQKKE-HTQZYQBOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007419
s1c2[C@H](N)[C@@](O)(Cc2cc1)C	PC-id_23250919	169.244	SDYWYCZVZLQKKE-YUMQZZPRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007420
s1c2C(N)(CCc2cc1)CO	PC-id_83905717	169.244	AYOVLBDMDRCOLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007421
s1c2C(N)C(O)(Cc2cc1)C	PC-id_72775216	169.244	SDYWYCZVZLQKKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007422
s1c2C(O)(CCc2cc1)CN	PC-id_83905715	169.244	OAIYZDQCSUPAPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007423
s1c2C(O)CC(c2cc1)CN	PC-id_84049321	169.244	WFRLUASKFSVIFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007424
s1c(c2CCOc2c1)CCN	PC-id_82412723	169.244	VLZUHHDWECNDDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007425
S1Cc2c(c(oc2C1)C)CN	PC-id_84765655	169.244	SRRAQZOIWRZIDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007426
s1cc2C(N)(CCc2c1)CO	PC-id_83905718	169.244	IUNXZJPTBDMXDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007427
S1Cc2c(oc(c2)CCN)C1	PC-id_84765658	169.244	WMYYBVORUSMRIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007428
s1cc2C(O)(CCc2c1)CN	PC-id_83905716	169.244	DUVXYXNYKBNOLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007429
S1Cc2n(c(cc2CO)C)C1	PC-id_71575590	169.244	SHMCVLITYWMIJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007430
S1Cn2c(C1)cc(c2C)CO	PC-id_71575589	169.244	BUAMBFMTYMZXFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007431
s1n(c(=O)c2CC(Cc12)C)C	PC-id_85765427	169.244	KODBZBCJXKSBGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007432
Sc1oc2c(n1)C(CC2)(C)C	EMOLS-id_97124968,PC-id_121602517	169.244	NMWCRULVPQGGRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007433
c12CSCc1nn(C)c2CN	EMOLS-id_317872118,PC-id_112711770,MCULE-7518439214	169.247	WSRHYMSVRXGQNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007434
c12SCCn1cc(CCN)n2	SCHEMBL17196022,PC-id_7061889,ZINC22_3883057,EMOLS-id_4763013,MCULE-1532227523	169.247	HEUAPDKVMDTFEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007435
c1(CN)c2CNCc2sc1N	EMOLS-id_331065132,MCULE-3284798087	169.247	CRARZQJLMDKYHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007436
CC1(C)Cc2n(C1)c(=N)sn2	PC-id_21266824,SCHEMBL7162367	169.247	HQZDOUBSLHUSDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007437
CC1(C)NCc2sc(N)nc12	EMOLS-id_331235445	169.247	AASZXMHVZCKGQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007438
CCc1nc2n(c1N)CCS2	PC-id_96631853	169.247	WWFYGDXJRKDPIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007439
CCn1nc2c(c1N)CSC2	PC-id_100917390	169.247	AGUWYVBJYZUNIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007440
CCn1nc(c2c1CSC2)N	PC-id_105434241	169.247	OFBBOLGBUDVGQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007441
CN1Cc2c(C1CN)ncs2	PC-id_112489604	169.247	CBKAWXIDYPQFQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007442
CSc1nc2c(n1C)CNC2	SCHEMBL17380228,PC-id_118613968	169.247	PGRSFXDPINGBAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007443
CSCc1nnc2n1CCC2	EMOLS-id_107750610	169.247	BKHDVTULKKCCRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007444
n1c(CNN)sc2CCCc12	EMOLS-id_313628896,MCULE-6048883970,PC-id_53275139	169.247	ZZEUGJOTBFLFTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007445
NCC1CCc2c1nc(s2)N	EMOLS-id_96409839,PC-id_82503174	169.247	DSTRGJBNWJAWKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007446
NCCc1c2CCSc2n[nH]1	PC-id_96739350	169.247	MMZVQSZSKPYOQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007447
NNc1nc2c(s1)CCC2C	PC-id_65046608,EMOLS-id_40959376	169.247	NDYIKIJMFKCGQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007448
s1c2C(CCc2nc1N)CN	PC-id_83873938	169.247	DVYNOYPJMTWYIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007449
s1c2CCC(NC)c2nc1N	PC-id_83873937	169.247	ZQTCYJVYICVFEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007450
s1c2CN(Cc2nc1N)CC	PC-id_82194320	169.247	SHOJLYCCZJWETG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007451
s1c2C(NC)CCc2nc1N	PC-id_83873939	169.247	KLICPQINIRXYRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007452
S1c2n(CC1)c(c(n2)C)CN	PC-id_82367570	169.247	UTYBSVIMFKCGHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007453
S1c2n(CC1)cc(n2)C(N)C	PC-id_82653097	169.247	YIZMCWJOCCWHNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007454
S1c2n(c(C(N)C)cn2)CC1	PC-id_82598065	169.247	SASFOLONUCKGJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007455
S1c2nc([nH]c2CC1)CCN	PC-id_82412704	169.247	ZEDFPWAWVQMUBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007456
S1c2n(nc(c2)CCN)CC1	PC-id_82653099	169.247	YHLUXSDIRAUKGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007457
S1c2n(nc(c2)CNC)CC1	PC-id_82653104	169.247	VRASCLWDLBQACI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007458
S1c2n(nc(C(N)C)c2)CC1	PC-id_82653098	169.247	QMMSAIGBKNDAQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007459
S1Cc2c([nH]nc2CCN)C1	PC-id_82412678	169.247	YTRVMBVWJFBMSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007460
S1Cc2c([nH]nc2CNC)C1	PC-id_83871367	169.247	IJBPUZPKMRZXFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007461
S1Cc2c(n(nc2CN)C)C1	PC-id_83871364	169.247	FLBDAWDMUNHNDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007462
S1Cc2c(nn(c2NC)C)C1	PC-id_83871473	169.247	WLBYGZPJKVVKDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007463
S1Cc2n(nc(NC)c2C1)C	PC-id_83871360	169.247	PQRPLIQELOAFHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007464
S1CCn2c1nc(c2)CNC	PC-id_82653103	169.247	FTKIHFZJLJRFHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007465
S1CCn2c(CCN)cnc12	PC-id_82412696	169.247	VJYCCCFGQBDUIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007466
S1CCn2c(CNC)cnc12	PC-id_82412681	169.247	ZMRKKATZFSMIQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007467
s1nnc2C(CCc12)CCN	PC-id_83873945	169.247	DETRSDAHWJIHOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007468
s1nnc2C(CCc12)CNC	PC-id_83873944	169.247	SFTKLJZWMDNQNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007469
s1nnc2CCC(c12)CNC	PC-id_83873948	169.247	GBNLZHJEDRNZJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007470
s1nnc2CCC(CCN)c12	PC-id_83873949	169.247	ZZPUEOVTNRPBLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007471
S(c1n(nc2c1CNC2)C)C	PC-id_83871785	169.247	AWFLZAMKGAKUOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007472
CC(C)[n+]1cc2c(s1)NCC2	SCHEMBL16018956,PC-id_90395172	169.267	YOPQNWRZJHKRKY-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007473
CC(C)[n+]1csc2c1CCN2	SCHEMBL16019050,PC-id_90395255	169.267	GSGGQRRJKUDTDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007474
CSc1cn2CCCc2[n+]1C	PC-id_659021,EMOLS-id_300495546,ZINC22_13116040,GD-id_ZINC13116040,ChEMBL-DNDi_CHEMBL1625161,MCULE-3793395811	169.267	VCJOOHFRTLHJEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007475
[NH3+]CCc1sc2c(n1)CCC2	PC-id_42251961,GD-id_ZINC11886680	169.267	GANVHFMPFZZVEM-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007476
ClC(=O)C1C=Nc2n1ccn2	PC-id_141281857	169.568	MQWGOSISVORSMW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007477
CC1Cc2c(C1=O)c[nH]c2Cl	PC-id_112714400	169.608	VQZILRBQILFCLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007478
Clc1c(n2CCCc2c1)C=O	PC-id_82412616	169.608	IBALKKXDMYYIEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007479
Clc1n(cc2c1CCC2=O)C	PC-id_83905809	169.608	BSCHXOWKTUWTPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007480
ClC(=O)c1ccc2n1CCC2	SCHEMBL10997758,PC-id_13490405	169.608	JACNXLRGRXRJSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007481
Clc1c2n(nc1C)C(=NC2)C	PC-id_22095199	169.612	BVPJMUUHLBRDJP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007483
C1=CC(=O)C2=CSC(=C21)Cl	PC-id_153879313	169.959	IGBFRJWXSZIEPS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007484
CC1=CC2=C(S1)SCC2=O	PC-id_154262650	169.986	LUGXFPHDJLYIAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007485
C1C2=C(CN1C(=O)O)SC=N2	PC-id_164947903	170.015	ADBWTRGLXMVSIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007486
C1C(N2C=CN=C2S1)C(=O)O	PC-id_153975286	170.015	MBBFTDJTJHWLRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007487
C1NC2=C(N1)SC(=C2)C(=O)O	PC-id_153736381	170.015	KCTHYUYXFPFMAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007488
CC1=C(SC2=C1SCC2)C	PC-id_154016357	170.022	CQMQOXSKSBPFLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007489
C[C@@H]1CC2=C(S1)C=C(S2)C	PC-id_163728181	170.022	KXJXGMDEWGEDNK-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007490
CC(=O)OC1=COC2=C1OCO2	PC-id_151150381	170.022	MYCFKUKEIOSYDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007491
C1CSC2=NN=C(N21)C(=O)N	PC-id_146681441	170.026	MLEZUOCCVAUZIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007492
COC(=O)c1occ2c1OCO2	SCHEMBL6878245,PC-id_69925161	170.12	IEXONGBZPSVSCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007493
C1(C(=N)c2c(O1)c(c(o2)O)N)O	PC-id_137196462	170.123	MQWLCJVVHKVPJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007494
NNC(=O)c1occ2c1OCO2	PC-id_69925567,SCHEMBL6879383	170.123	MFFKZNKZDOMWMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007495
o1[nH]c(=O)c2c1C(NC2)C(=O)O	PC-id_84038794	170.123	ICNKWDCHOKRGSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007496
O=c1[nH]n2CCNc2c1[N+](=O)[O-]	PC-id_12680221	170.126	TWMRHMJQMKNVLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007497
FC1CCc2c1[nH]nc2C(=O)O	PC-id_105434349	170.141	GLZCILDAQFCLQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007498
OC(=O)c1cc2CC(F)Cn2n1	MCULE-5074313230,EMOLS-id_316154244	170.141	ZLLVMMFFFCEOAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007499
O=C(O)c1cc2n(n1)C[C@@H](F)C2	ZINC22_1554713269	170.141	ZLLVMMFFFCEOAR-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007500
O=C(O)c1cc2n(n1)C[C@H](F)C2	ZINC22_1554713271	170.141	ZLLVMMFFFCEOAR-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007501
OC(=O)c1c(F)nn2CCCc12	EMOLS-id_337771303	170.141	YVCUQPRDXSMWDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007502
CO[N+](=O)c1cn2c(n1)OCC2	PC-id_143043494	170.146	FHOBNLITBFDYDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007503
[O-][N+](=O)c1cn2c([nH+]1)O[C@@H](C2)C	GD-id_ZINC05890379	170.146	NUCGDAFGCCIOTC-SCSAIBSYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007504
c1cn2C(C(C(c2n1)O)O)CO	PC-id_92020978	170.166	DGGMEKMJNMCZQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007505
O1C(n2c(C1)c(O)[nH]c2=O)CC	PC-id_54255125	170.166	QZMKCHRFTAHRES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007506
OC1C(n2c(C1O)cnc2)CO	PC-id_73083022	170.166	PLCUSYNYULFULB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007507
OCCn1[nH]c2c(c1=O)COC2	PC-id_105434396	170.166	YPYWQALREHAILF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007508
O[C@H]1[C@H](n2c([C@@H]1O)cnc2)CO	PC-id_10035018	170.166	PLCUSYNYULFULB-VQVTYTSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007509
O[C@@H]1[C@H](n2c([C@H]1O)cnc2)CO	PC-id_10057940	170.166	PLCUSYNYULFULB-FSDSQADBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007510
O[C@H]1[C@@H](n2c([C@H]1O)cnc2)CO	PC-id_10559061	170.166	PLCUSYNYULFULB-XVMARJQXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007511
O[C@H]1[C@H](n2c([C@H]1O)cnc2)CO	PC-id_10877550	170.166	PLCUSYNYULFULB-QYNIQEEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007512
O[C@H]1[C@@H](n2c([C@@H]1O)cnc2)CO	PC-id_10888335	170.166	PLCUSYNYULFULB-ACZMJKKPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007513
O[C@@H]1[C@@H](n2c([C@@H]1O)cnc2)CO	PC-id_10964934	170.166	PLCUSYNYULFULB-LYFYHCNISA-N	00000010100000000001000010000000000000000000000000000000	25-01-007514
O[C@@H]1[C@H](n2c([C@@H]1O)cnc2)CO	PC-id_11745058	170.166	PLCUSYNYULFULB-DSYKOEDSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007515
O[C@@H]1[C@@H](n2c([C@H]1O)cnc2)CO	PC-id_11829862	170.166	PLCUSYNYULFULB-RRKCRQDMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007516
O1CCn2c(nnc12)C(N)CO	PC-id_82598171	170.169	FQNNQPZOADTXMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007517
O1CCn2nc(nc12)CNOC	PC-id_82598174	170.169	LEEXQZMFTIIGPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007518
OC1Cn2n(C1)c(c(c2=O)N)N	PC-id_23104194,SCHEMBL180852	170.169	OBJQTPFHDSYCLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007519
N#CC(=C1CCn2c1ncc2)C#N	EMOLS-id_114411180	170.171	WEGGNGFDFVOBSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007520
c12CCCc1nn(CCF)c2O	EMOLS-id_324388186,MCULE-7911540958	170.184	SYTCWVANFBFARS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007521
NCc1noc2c1C(C)(F)CC2	PC-id_105434424	170.184	UBNNAVHNPNFGEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007522
OCc1nn(c2c1C(F)CC2)C	PC-id_105434429	170.184	BWVFKGVGLJGFQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007523
OCc1n[nH]c2c1C(C)(F)CC2	PC-id_105434430	170.184	ZFSFNWYMLVFWFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007524
OC(CF)c1n[nH]c2CCCc12	EMOLS-id_313879890,MCULE-6905128907	170.184	FZEPIQOWJAEZGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007525
c1(C(=O)O)csc2COCc12	MCULE-8699796949,EMOLS-id_331060525	170.186	CAAIWHYNCQYMGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007526
CC(=O)c1sc2c(c1)OCO2	PC-id_96631675	170.186	KQTRYLULGIDSTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007527
CC(=O)c1scc2c1OCO2	PC-id_96631677	170.186	BISIVYKBXWJPLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007528
O1Cc2c(C(=O)O)scc2C1	MCULE-6924808858,EMOLS-id_320441384,PC-id_82412512	170.186	GNDWYMBKLMMNKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007529
O=Cc1c(C)sc2c1OCO2	PC-id_96631674	170.186	YHBBOVWRZCJZAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007530
O=Cc1scc2c1OC(O2)C	PC-id_141262095	170.186	NRNYURBLGHHVNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007531
OC(=O)c1c2c(CSC2)oc1	MCULE-7762625476,ZINC22_75558792,PC-id_11073842,EMOLS-id_313106649	170.186	IOGKMDVZOOZYDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007532
OC(=O)c1cc2c(s1)CCO2	PC-id_96631676	170.186	TYIYDJZUZVFRDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007533
s1c2OCCc2cc1C(=O)O	PC-id_84013757	170.186	ZYKOGDOFYGJKNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007534
s1c(c2CCOc2c1)C(=O)O	PC-id_82412511	170.186	CKULIRQHXLTKFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007535
S1Cc2c(oc(c2)C(=O)O)C1	PC-id_84765754	170.186	CMUZWMXCEJCQNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007536
c12ncsc1NCC2C(=O)O	MCULE-3205954868,PC-id_112489591	170.189	ROXUDFKSUOIKGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007537
C1C(c2c(O1)ncs2)C(=O)N	SCHEMBL15903560,PC-id_90303438	170.189	GOMWVZHADXATCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007538
C1CS(=O)c2nc(cn12)C=O	PC-id_88106719,SCHEMBL7184888	170.189	ZIRGDNPLXQFMTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007539
C1Nc2cn(cc2S1)C(=O)O	SCHEMBL20305137,PC-id_135156604	170.189	AXUQJYPLTNBALK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007540
C1Nc2c(S1)c(co2)C(=O)N	PC-id_90303595,SCHEMBL15903808	170.189	ASHYCOIVHQVLDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007541
CC1=NS(=O)(=O)c2c1[nH]cc2	PC-id_136447622,SCHEMBL8285725	170.189	OQDDSEWRCCMYIS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007542
n1c(C(=O)O)c2CSCc2[nH]1	BindingDB_PC-id_44441323,MCULE-2370367011,EMOLS-id_49191309,ZINC22_28948766,CHEMBL247724,PC-id_44441323,SCHEMBL4948447	170.189	UPGCPKMSUIFDIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007543
n1n2c(CSC2)cc1C(=O)O	EMOLS-id_76752844,ZINC22_145399358,PC-id_21941384,MCULE-1371036193	170.189	JQUZEOOLVTXZMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007544
n1n2c(CSC2)c(C(=O)O)c1	PC-id_21941372,ZINC22_145397692,MCULE-3728748985,EMOLS-id_95572433	170.189	ADPLJMZMWRFKFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007545
O=Cc1cn2c(n1)[S@](=O)CC2	SCHEMBL7178614	170.189	ZIRGDNPLXQFMTE-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007546
OC(=O)C1Cc2c(N1)scn2	SCHEMBL3175703,PC-id_68538502	170.189	GBOMXBLJULBHBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007547
OC(=O)c1cc2SCCn2n1	EMOLS-id_43011369,PC-id_21941439,MCULE-4044120519	170.189	GKODQCNNRWSYRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007548
OC(=O)c1cn2CCSc2n1	ZINC22_5941985,PC-id_19350139,MCULE-1057197105,EMOLS-id_56970392	170.189	VFWWRDRRCANUPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007549
OC(=O)c1cn2c(n1)CCS2	SCHEMBL6991784,PC-id_57021219	170.189	YKLLKYMKLDWHCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007550
OC(=O)C1Cn2c(S1)ncc2	PC-id_141210776	170.189	MLEAXKZAGIPNMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007551
OC(=O)c1cnc2n1SCC2	SCHEMBL6992419,PC-id_57315566	170.189	PAXKAHDMSPXHMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007552
OC(=O)c1cnc2SCCn12	MCULE-8595554105,SCHEMBL7358637,PC-id_45082749,EMOLS-id_81822826	170.189	JECVWJUSYJVNEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007553
O=C(O)c1cnn2c1SCC2	MCULE-8648677235,PC-id_21941441,ZINC22_96035805,EMOLS-id_43011371	170.189	ZOEZAYVCCMJVCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007554
OC(=O)c1ncn2c1CSC2	SCHEMBL9738196,PC-id_67917486	170.189	HQBFQUOMPMXICV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007555
O=C(O)c1[nH]nc2c1SCC2	BindingDB_PC-id_44441326,PC-id_44441326,CHEMBL395177	170.189	ZXMXWYOGVGJJOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007556
OC(=O)C1SCc2c1c[nH]n2	SCHEMBL2566740,PC-id_67454593	170.189	RUYHGTUATKYZNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007557
CONN1CCc2c1csc2	PC-id_143122346	170.232	HHDWUVUVABJFFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007583
s1c2c(nc1)C(NC2)C(=O)O	PC-id_82412505	170.189	DVNMQINMUGWUHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007558
S1Cc2[nH]c(nc2C1)C(=O)O	PC-id_82412506	170.189	KOGDBLAXSINONU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007559
S1CCc2c1n[nH]c2C(=O)O	PC-id_84013760	170.189	QBUULNYGZMUCBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007560
S1CCc2[nH]c(nc12)C(=O)O	PC-id_82412507	170.189	JDWRHTWMORZTSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007561
s1c(=O)n2n(CC(=C)C2)c1=O	PC-id_10397212	170.189	HXCPDYDNWZDFTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007562
s1nnc2C(CCc12)C(=O)O	PC-id_83874004	170.189	KVGBSJQLGFZYCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007563
s1nnc2CCC(c12)C(=O)O	PC-id_83874005	170.189	RMNLQDNNMDEOHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007564
CSc1nn2CC(=O)Nc2n1	PC-id_135747198	170.192	MWXFYNJHYMADAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007565
Cc1sc2c(c1)C(=C(C2[Li])C)C	SCHEMBL2917097	170.2	CPLVJSUTAVNRAI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007566
O[C@H]1[C@H]([NH3+])c2c(C1=O)scc2	GD-id_ZINC03594155	170.209	QBYRVKQYQIOGJB-UHNVWZDZSA-O	00000010100000000000000010000000000000000000000000000000	25-01-007567
s1c2c([C@H]([NH3+])[C@H](O)C2=O)cc1	PC-id_23242639	170.209	QBYRVKQYQIOGJB-WHFBIAKZSA-O	00000010100000000000000010000000000000000000000000000000	25-01-007568
s1c2c(C([NH3+])C(O)C2=O)cc1	PC-id_74026238	170.209	QBYRVKQYQIOGJB-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-007569
c12n[nH]nc1NC(=S)C2=S	SCHEMBL8761628,PC-id_136447577	170.215	CTOQUCNYLFHOAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007570
CCC1(C)Oc2c(O1)csc2	PC-id_141228364	170.229	VKGVDRRZGZSFEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007571
CCCC1Oc2c(O1)csc2	PC-id_141045911	170.229	VGTGXONARILPCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007572
S1C(Cc2c1oc(c2)C)CO	PC-id_85563277	170.229	QHCOFKPCKQODSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007573
c12CSCc1nn(C)c2CO	MCULE-1301263997,EMOLS-id_317871350	170.232	KVSCJXFJPUPRHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007574
c1(CN)c2COCc2sc1N	EMOLS-id_331059759,MCULE-9409352022	170.232	KNGJCLSQCACOAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007575
c1(CO)c2CNCc2sc1N	EMOLS-id_331064876,MCULE-1913876665	170.232	OAUJKTYKYPZPJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007576
Cc1nc2n(c1C)C(CS2)O	SCHEMBL13197091,PC-id_59444337	170.232	YRQPKKWMNYXKRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007577
Cc1nc2n(c1CO)CCS2	EMOLS-id_5865889,CoCoCo_5604872,SPECS-id_AT-819/OC08127,ZINC22_3850551,CNP0270407,PC-id_332997,NSC332700,LI_187415,MDPI-id_18620	170.232	RMAPGOINYDGVCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007578
CCn1c2CSCc2c(=O)[nH]1	PC-id_105434548	170.232	SEZRSFZJOYZINP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007579
CCn1nc2c(c1O)CSC2	EMOLS-id_114412433	170.232	CPCCICVNFZLSPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007580
Cn1c(c2CCCn2c1=S)O	PC-id_91339582	170.232	WQGKAJINRBQHHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007581
Cn1c(=S)n(c2c1CCC2)O	SCHEMBL19117691	170.232	YDRQADTVXJFFNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007582
CS1=Nc2c(N1)c(C)oc2C	SCHEMBL18948857	170.232	ZETLUXRJGSGOSB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007584
C[S@@](=O)c1cn2c(n1)CCC2	PC-id_92969697	170.232	XJDSACWUCWIGEB-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007585
C[S@](=O)c1cn2c(n1)CCC2	PC-id_92969698	170.232	XJDSACWUCWIGEB-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-007586
Nc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96827918	170.232	SDVAGOAGSBKCAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007587
NCC1CCc2c1nc(s2)O	EMOLS-id_96142861,PC-id_83874033	170.232	MKDDWANUHQDDNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007588
O=c1n(C)c2c(n1C)CSC2	PC-id_145769844	170.232	YOLXFEDQOJTOKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007589
s1c2C(CCc2[nH]c1=O)CN	PC-id_83874035	170.232	KIFSVFQADGHHKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007590
s1c2CCC(NC)c2[nH]c1=O	PC-id_83874034	170.232	WPDYTPQTTYDNBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007591
s1c2CCOc2nc1CCN	PC-id_83669669	170.232	PSWLNWSSIUMIGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007592
s1c2c(nc1COC)CNC2	PC-id_83682803	170.232	BXLGSQAYDFFNKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007593
s1c2C(NC)CCc2[nH]c1=O	PC-id_83874036	170.232	ZOAULXFPXCZUSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007594
S1c2n(CC1)cc(n2)CCO	PC-id_83674587	170.232	YDNABKSORCJUPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007595
S1c2n(nc(c2)CCO)CC1	PC-id_83674585	170.232	LVUALDDRYKKMJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007596
S1Cc2c(noc2C1)CCN	PC-id_83871350	170.232	APLGWVSDRLLNCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007597
S1Cc2c(noc2CNC)C1	PC-id_83871464	170.232	DPYAVZLATIWJPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007598
S1Cc2c(onc2C1)CCN	PC-id_83871462	170.232	NTCXKZOMFNOPCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007599
S1Cc2c(onc2CNC)C1	PC-id_83871351	170.232	SKWHRZYMTPPYAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007600
S1Cc2[nH]n(c(=O)c2C1)CC	PC-id_83196151	170.232	DJOVQTMFTJFPAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007601
S1C(c2n([nH]c(=O)c2C1)C)C	PC-id_83846170	170.232	HKVKRMNMIWXHSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007602
S1CCn2c(CCO)cnc12	PC-id_83674228	170.232	OERPOSDVUOQGLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007603
S=c1[nH]c2c([nH]1)COC2(C)C	EMOLS-id_97124079	170.232	UBRDINDOHXNCTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007604
S(=O)(c1nc2n(CCC2)c1)C	PC-id_3080454	170.232	XJDSACWUCWIGEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007605
CC1Cc2c(S1)c(nn2N)N	PC-id_90850240	170.235	WKZWJJVDYDDSCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007606
Cc1nn2C(NNc2c1)SC	PC-id_136651915	170.235	QXEBIJRWSCIMLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007607
CCNC1Nc2ccnn2S1	PC-id_137197461	170.235	SLHKSILAEBQLPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007608
NC1Sc2c(N1C)[nH]c(c2)N	PC-id_69289667,SCHEMBL5039767	170.235	PWNYLACZLMDXRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007609
S1CCn2c(nnc12)CCN	PC-id_82598233	170.235	XMPRTMTZVGZSLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007610
S1CCn2c(nnc12)CNC	PC-id_82598231	170.235	YZQRRDVWMRRUJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007611
S1CCn2c(nnc12)C(N)C	PC-id_82598232	170.235	JIJCAJAEJHPUGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007612
S1CCn2nc(nc12)CCN	PC-id_82412368	170.235	HVCSLKQCZHOQOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007613
S1CCn2nc(nc12)C(N)C	PC-id_82412371	170.235	URXGYBONUGJKMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007614
S1CCn2nc(nc12)CNC	PC-id_82598230	170.235	SSARTYFWIVTONF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007615
S=c1n(N)c2N(CCc2[nH]1)C	PC-id_82412370	170.235	YSINNYYPORTCOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007616
c12CSCc1scc2C=O	EMOLS-id_331059241,MCULE-3556945050	170.252	BVQQRAIEMHUCJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007617
O=Cc1cc2c(s1)SCC2	PC-id_96631425	170.252	MYPVLNIBJOCMGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007618
C(c1cn2c(n1)SCC2)C[NH3+]	PC-id_7061888,GD-id_ZINC03883057	170.255	HEUAPDKVMDTFEX-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007619
Cc1sc(c2c1N=S=N2)C	SCHEMBL10100946	170.255	NZKSYTBZNCWCCK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007620
s1c2[n+](CCN2)c(CCN)c1	PC-id_52437236	170.255	YXZGZKUMMPLOIW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007621
CC1c2csc(c2CS1)C	PC-id_135069950	170.295	CCJJWQROZWHYRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007622
CC1Cc2c(S1)c(cs2)C	SCHEMBL12970491,PC-id_88992610	170.295	JUQPUBZKXPSQKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007623
CC1Cc2c(S1)sc(c2)C	SCHEMBL14188753,PC-id_89269246	170.295	VEDQJSKLTTXEFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007624
CC1CSc2c1scc2C	PC-id_141276529	170.295	UXYXBOIMSULNHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007625
CC1(C)Sc2c(C1)scc2	SCHEMBL18433468	170.295	BFBDQMVRQGDESZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007626
CC1Sc2c(C1)sc(c2)C	PC-id_68035449,SCHEMBL10104200	170.295	KXJXGMDEWGEDNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007627
Cc1sc(c2c1SCC2)C	SCHEMBL4567576,PC-id_69096679	170.295	AZXQKUAGJOSRAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007628
CCC1Sc2c(C1)scc2	PC-id_68093965,SCHEMBL10285627	170.295	DMZHGEPKRRCIQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007629
S1Cc2c(C1)c(sc2C)C	PC-id_598442	170.295	PGJFENPZRALWPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007630
S1CC(c2c1csc2)(C)C	PC-id_21300171	170.295	SJMYOIITJNEONP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007631
S1C(Cc2c1scc2)(C)C	PC-id_12509773	170.295	WULDDBOTUOEYMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007632
S1C(C(c2c1scc2)C)C	PC-id_12509774	170.295	AGLCINDLZNVYNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007633
S1CC(c2sccc12)(C)C	PC-id_21300176	170.295	WZHOQDUJVZWCJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007634
SCc1cc2CCCc2s1	EMOLS-id_313876038,MCULE-5827593546	170.295	UTNILHOSMPPLDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007635
[B]C1CSc2c1[nH]nc2Cl	PC-id_90191609	170.428	QFRQVZHKCLQZPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007636
Clc1cc2c(o1)C(=O)C(C2)C	PC-id_112714403	170.593	UOZDOIQSJYDXDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007637
Clc1oc2c(c1)C(=O)C(C2)C	PC-id_112714404	170.593	JZPVUGMRZIRXSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007638
c1(n2c(CCC2)nc1)C(=O)Cl	EMOLS-id_11474179,MCULE-7592559630,PC-id_26967373	170.596	BXKZCOROXGEBTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007639
Clc1c(C=O)nn2CCCc12	PC-id_84038816,EMOLS-id_324140856	170.596	GPKXXSMCVIIYHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007640
Clc1n2CCCc2c(n1)C=O	PC-id_82412227	170.596	OFFXBKRCISEQNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007641
Clc1n2CCCc2nc1C=O	PC-id_84021748	170.596	CFLYNGQAPOIRMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007642
Clc1nc2n(CCC2)c1C=O	PC-id_82412225	170.596	KKGHVUGBXWJONU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007643
O=C1CCn2c1nc(c2Cl)C	PC-id_142515025	170.596	FHQLLJBXUPXKQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007644
Cc1nn2c(c1Cl)N=NC2C	PC-id_67341885,SCHEMBL2269662	170.6	BBKGFGHSTARIFU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007645
ClC1c2n(N=C1C)nc(n2)C	PC-id_85617291	170.6	JYFZSUJUYOMNCE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007646
Clc1c2c(sc1)C(=O)C=C2	PC-id_16639348	170.616	JIBUSJKFEZHSKV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007647
Clc1sc2c(c1)C(=O)C=C2	PC-id_22758656,SCHEMBL11642095	170.616	NWGWPLUJNRZWLB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007648
ClCc1c2CCCc2oc1C	PC-id_83610132	170.636	IVMJOOLEBROQFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007649
c12C(C)CCc1n(nc2Cl)C	EMOLS-id_330974717,MCULE-2625431862	170.639	GIEUEPFYUJNEDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007650
c12C(C)CCc1nn(C)c2Cl	MCULE-5452398761,EMOLS-id_330956991	170.639	YKQNGCFEGPUOID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007651
c12C(C)CCc1n[nH]c2CCl	MCULE-5633225879,EMOLS-id_331012023	170.639	AKCNYWZIMCUARG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007652
c12C(Cl)CCc1[nH]nc2CC	EMOLS-id_50074308,PC-id_66489445,MCULE-7676440458	170.639	AMAXWQSMGVXEMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007653
c1(Cl)n(CC)c2c(CCC2)n1	ZINC22_22126199,MCULE-2323745207,PC-id_30033057,EMOLS-id_31520356	170.639	CMFKNEJOGJQBLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007654
CC1Cc2c(C1N)c[nH]c2Cl	PC-id_112714405	170.639	BSKOZXWSEKHSMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007655
CCc1c(Cl)nc2n1CCC2	SCHEMBL19099384	170.639	CCNGLJQTDAQMEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007656
CCn1nc2c(c1Cl)CCC2	PC-id_66020983,EMOLS-id_41630866	170.639	INXGFHLOEBYIRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007657
Clc1n(cc2C(N)CCc12)C	PC-id_83905865	170.639	KQAUZHDLYPQLMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007658
Clc1[nH]cc2C(CCc12)CN	PC-id_83905863	170.639	SKCLCBMEKUGGHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007659
Clc1[nH]cc2C(NC)CCc12	PC-id_83905864	170.639	SDVQJUUNGDNJNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007660
ClCc1nn(c2c1CCC2)C	PC-id_68791234,SCHEMBL3796955	170.639	KTJYSWPTQSKMJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007661
Cn1nc2CCCc2c1CCl	SCHEMBL3794341,PC-id_68790092,EMOLS-id_70118666,MCULE-4424067586	170.639	IDHIQUQBAYDMFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007662
C=C1CCc2c1sc(c2)Cl	PC-id_89185973,SCHEMBL13845091	170.659	AHUIOVFRVUQEKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007663
C1=C2C(=CC1=N)P=PP2	PC-id_161080902	170.956	YZXUCHMWLWOHKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007664
CC1CC2=C(S1)C=C(S2)N	PC-id_147435689	171.018	DVFNAWIOAKUCBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007665
CC1CC2=C(S1)SC(=C2)N	PC-id_164067845	171.018	WMMDWRQZUXCULP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007666
CC1CC2=C(S1)SC(=N2)C	PC-id_163835931	171.018	OHSRFPZDRGSHLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007667
CC1CC2=C(SC=C2S1)N	PC-id_146966209	171.018	ALNXUSRPWIMMBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007668
CC1NC2=C(S1)SC(=C2)C	PC-id_148574086	171.018	MXLDKLNLHULDHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007669
CC1=NC2=C(N1)CN(C2=O)Cl	PC-id_153965284	171.02	OJFZGVJIUAUOCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007670
C1=C2C(=CS1)OC(O2)CCN	PC-id_165390998	171.035	SIQZZGFXKZMQDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007671
C1=CSC2=C1C(C(C2O)O)N	PC-id_153785732	171.035	ZLZSTFXPXXXSJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007672
Cc1nn2C(=N[NH2+]c2c1Cl)C	PC-id_163599740	171.043	GWPIHRNSTHARTN-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-007673
FC1CCc2c1onc2C(=O)O	PC-id_105434647	171.126	XNWULSSDZXOPSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007674
OC[C@@H]1n2nncc2[C@@H]([C@@H]1O)O	PC-id_102359401	171.154	JPHYXVLNSPXEHU-HCWXCVPCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007675
OC[C@@H]1n2nncc2[C@H]([C@H]1O)O	PC-id_102359404	171.154	JPHYXVLNSPXEHU-JKUQZMGJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007676
OC[C@@H]1n2nncc2[C@H]([C@@H]1O)O	PC-id_102359405	171.154	JPHYXVLNSPXEHU-KVQBGUIXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007677
OC[C@@H]1n2nncc2[C@@H]([C@H]1O)O	PC-id_102359406	171.154	JPHYXVLNSPXEHU-ZLUOBGJFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007678
Cc1nnc2n1C(C#N)C(=C2)C#N	SCHEMBL2269146,PC-id_17885968	171.159	BKGMLCQEAWZESI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007679
n12CC(=C(c1nnc2C)C#N)C#N	SCHEMBL2267803,PC-id_17885966	171.159	BIOFMWKXBSNYSG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007680
n12C(N=Nc1c(c(c2)C#N)C#N)C	PC-id_67341225,SCHEMBL2267804	171.159	IIIFFWPOUYKKIS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007681
n12C(N=Nc1cc(c2C#N)C#N)C	SCHEMBL2269150,PC-id_67341706	171.159	UNCMYLFMMLVIKI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007682
OCc1noc2c1C(C)(F)CC2	PC-id_105434687	171.169	RRFUKANLDWYWEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007683
C1C(c2c(O1)ncs2)C(=O)O	PC-id_90303486,SCHEMBL15903627	171.174	YIXODCRXIBGFTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007684
CC1=NS(=O)(=O)c2c1cco2	SCHEMBL8285755,PC-id_70333872	171.174	GBXFHKXGKPRDIS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007685
O=Cc1sc(c2c1OCO2)N	PC-id_96631328	171.174	CDAMALJPAGZFLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007686
s1c2OCOc2c(N)c1C=O	PC-id_82412159	171.174	FBEGIXDMTHXPGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007687
S1Cc2c(noc2C(=O)O)C1	PC-id_83871460	171.174	GBELBWYWDXAENF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007688
S1C(c2c(onc2)C1)C(=O)O	PC-id_82412160	171.174	KEEOLGSSJJMWMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007689
S1Cc2c(onc2C(=O)O)C1	PC-id_82412161	171.174	OIPWNDLBBPINSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007690
[O-][N+](=O)c1cn2c(n1)SCC2	PC-id_139266833	171.177	BOVXBEKRFIVBES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007691
[O-][N+](=O)c1cnc2n1CCS2	CoCoCo_5614111,PC-id_335836,NSC347486,LI_71595	171.177	OUHIDFNCLXYKCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007692
O=S(=C1CCc2n1ncn2)=O	PC-id_141658738	171.177	JEYGGHFENWEECK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007693
S1c2n(CC1)cnc2[N+](=O)[O-]	PC-id_13573684	171.177	BCYOZGQVTFWGDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007694
S1CCn2c1nnc2C(=O)O	PC-id_82598371	171.177	MVKJPBRLHGCFPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007695
S1CCn2nc(nc12)C(=O)O	PC-id_82598370	171.177	WGUKETVAAOYXAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007696
S1(=O)CC(=O)n2nc(nc12)C	PC-id_86191750	171.177	QHMOPWFLBGYVPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007697
SCc1n2CC(=O)Oc2nn1	PC-id_10607271	171.177	VUXKAWIIDVDQGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007698
FC(c1cn(c2c1CCC2)C)F	PC-id_145769863	171.187	DUMPPKCRZPRKBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007699
c1(C#N)c2CCCc2nn1CC#C	PC-id_121214354,MCULE-4335970098,EMOLS-id_70118696	171.199	HSYLWLWRXISJMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007700
c1(CO)c2COCc2sc1N	EMOLS-id_331059503,MCULE-8252437399	171.217	PSDRCJYVRAXOLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007701
CC(c1sc2c(c1)OCO2)N	PC-id_112489557	171.217	RAUNWTRUEMHTIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007702
NCc1c(C)sc2c1OCO2	PC-id_96740065	171.217	QDQHIDYKQYYCHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007703
NCCc1csc2c1OCO2	PC-id_96740061	171.217	MVOXTNACGDZJKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007704
NCCc1sc2c(c1)OCO2	PC-id_96740062	171.217	RZKHKBRXJLNQOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007705
NCCc1scc2c1OCO2	PC-id_96740060	171.217	HOQGAXKSKNDZCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007706
S1(=O)(=O)Cc2c(C1)cn(c2)C	PC-id_15686559	171.217	KUKQZFMMSMRHOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007707
Sc1oc2c(n1)C(OC2)(C)C	EMOLS-id_96102151	171.217	FMJFGPJJUJZXRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007708
CS(=O)N1Cc2c(C1)c[nH]n2	MCULE-5583971927,EMOLS-id_97227308	171.22	ZVFBRBJLTKRULN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007709
CS(=O)n1cc2CNCc2n1	SCHEMBL15203113,PC-id_89762577	171.22	HTQMAWAGKMQPBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007710
NC1Oc2c(N1C)sc(c2)N	SCHEMBL5044842,PC-id_69291718	171.22	AARPVZONGFQQBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007711
NC1Sc2c(N1C)oc(c2)N	SCHEMBL5039899,PC-id_69289717	171.22	DEKFUMYALXVJGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007712
NONN1CCc2c1csc2	PC-id_143122265	171.22	QJYGHJODFHUAEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007713
O=c1sc2c([nH]1)C(CC2N)N	PC-id_140173266	171.22	AZVOZXOOSZELKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007714
OCc1nc2c([nH]1)N(CS2)C	PC-id_70220342,SCHEMBL7890775	171.22	NCIOTHHYYQJGIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007715
S1c2n(nc(c2)CNO)CC1	PC-id_82653319	171.22	GZFJREURCPZFPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007716
S1CCn2c1nc(c2)CNO	PC-id_82653318	171.22	PHCIVZCDISWMGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007717
S1CCn2c(CNO)cnc12	PC-id_82598407	171.22	HWAQGHOZGLWLFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007718
S1CCn2c(nnc12)CCO	PC-id_83674232	171.22	KEADWPDHAHBBFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007719
S1CCn2nc(nc12)CCO	PC-id_83674274	171.22	SJWANMHYEQYBLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007720
NNc1nn(c2c1CSC2)N	SCHEMBL18306886	171.223	RCXLISYNGWBYLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007721
s1c2c(C(F)(CC2)CN)cc1	PC-id_84021786	171.235	DBXMOCPJQOIKPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007722
CC=CC=C1Cc2c(C1=C)[nH]cc2	PC-id_87277117	171.238	KNFMGGHETCFANO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007723
C/C=CC=C/1Cc2c(C1=C)[nH]cc2	SCHEMBL1687462	171.238	KNFMGGHETCFANO-QQTPKPIZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007724
C/C=CC=C/c1cc2c([nH]1)CC=C2	PC-id_144512616	171.238	RUTAEMNNGIYBLL-JXPISWCDSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007725
C/C=CC=C/C1=CCc2c1[nH]cc2	SCHEMBL19752560	171.238	ZUFUVJKXHZYGCE-LDIADDGTSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007726
Cc1nc2c(s1)C(=O)SC2	PC-id_140205781	171.24	QXMJALGXZDNOAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007727
s1c2c([nH]c1=S)CCC2=O	PC-id_83680998	171.24	SMSNHNNTPBTBBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007728
s1c(=S)n2c(CC(=O)C2)c1	PC-id_83668838	171.24	SDWVCTUHVXMUKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007729
s1c2[n+](CCN2)c(CC[NH3+])c1	PC-id_52437235	171.263	YXZGZKUMMPLOIW-UHFFFAOYSA-P	00000010100000000001000010000000000000000000000000000000	25-01-007730
c12CSCc1scc2CN	MCULE-6176045155,EMOLS-id_331059753	171.283	SVPQLUODTBBQFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007731
c12CSCc1sc(CN)c2	EMOLS-id_330873665,MCULE-8301468306	171.283	HLYOLGWNBJXBNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007732
Cc1nc2c(s1)CCC2S	SCHEMBL20083832,PC-id_134448201	171.283	XYASIZKMFNIXFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007733
CC1Sc2c(C1)sc(n2)C	SCHEMBL18831511	171.283	PSCWXXQOEDYJMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007734
CSc1scc2c1CNC2	SCHEMBL9241772,PC-id_15284969	171.283	GWMNJOXQDSXFRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007735
s1c2c([nH]c1=S)C(CC2)C	EMOLS-id_40959576,PC-id_65046721	171.283	BOOATCXMAKSICF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007736
s1nc2CCCc2c1SC	PC-id_14292691	171.283	UXWBLJYQHSHNBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007737
CCc1[s+]sc2c1CCC2	PC-id_101607834	171.303	GHTKXBQGAVPOLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007738
[S+]1(CCc2sc(cc12)C)C	PC-id_11359111	171.303	RHHNITQIPZECNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007739
Clc1oc2C(N)CC(=O)c2c1	PC-id_84049401	171.581	YNEDMXNVKLSFTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007740
Clc1c2n(nc1)CC(N)C2=O	PC-id_82411949	171.584	YQMNRUSNHYHPRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007741
ClC(=O)n1cc2c(c1)CNN2	PC-id_141215717	171.584	OGKMZOOKPRSVDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007742
CN1C(=O)Cn2c1ncc2Cl	PC-id_105434993	171.584	LXOHTNFJFAMKIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007743
Cc1nn2c(c1Cl)[NH2+]C(=N2)C	PC-id_141830841	171.608	VMEIPSLBJGQOFK-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-007744
CC1Cc2c(C1N)cc(o2)Cl	PC-id_112714408	171.624	ADTZHSJVEFUTOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007745
CC1Cc2c(C1N)oc(c2)Cl	PC-id_112714407	171.624	ZZUAOOJMMGYCEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007746
Clc1oc2C(CCc2c1)CN	PC-id_83905935	171.624	UVOGVTDGGPFLBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007747
Clc1oc2c(C(CC2)CN)c1	PC-id_83905934	171.624	JXZNAUJPFFTTIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007748
Clc1oc2CCC(NC)c2c1	PC-id_83905937	171.624	VNHHPRFBBUTMME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007749
Clc1oc2C(NC)CCc2c1	PC-id_83905936	171.624	JLXRDPOHPLDMIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007750
ClCc1noc2c1CCC2C	EMOLS-id_96428817,PC-id_80463179	171.624	LKZMXUHAIUDNIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007751
c12CN(Cc1nn(C)c2Cl)C	EMOLS-id_317876981,MCULE-2031151416	171.627	QDTZVUXIXSNULE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007752
c12N(C)CCn1ncc2CCl	MCULE-5737016485,EMOLS-id_317869296	171.627	SRQQPKWEGGGKCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007753
c12N(C)CCn1nc(CCl)c2	EMOLS-id_320440087,MCULE-4754692148	171.627	GCCJGNFWWMRWIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007754
Clc1n2CCCc2nc1CN	PC-id_84021829	171.627	DLKQKQWSTJBKDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007755
Clc1nc2n(CCC2)c1CN	PC-id_84021828	171.627	VRXHBVYHBJMZAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007756
C[C@@H]1CCC2=C1C=C(S2)Cl	PC-id_155138495	172.011	BWBFFPLWLMBUCX-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007757
C[C@H]1CCC2=C1C=C(S2)Cl	PC-id_155138497	172.011	BWBFFPLWLMBUCX-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007758
C1C(SC2=C1SC=C2N)N	PC-id_148324752	172.013	LDQJUYMELBTOLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007759
CC1CC2=C(S1)SC(=[NH+]2)C	PC-id_163835930	172.025	OHSRFPZDRGSHLR-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007760
C1CC(c2cn(nc12)[AlH2])(F)F	PC-id_164045552	172.039	VTYVXJZJFZTOBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007761
C1CC(c2nn(cc12)[AlH2])(F)F	PC-id_164071174	172.039	WPHPCLBVGLXDCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007762
[se]1ncc2CCCc12	PC-id_21826492	172.086	JWCCIMBTCJLAAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007763
OC1n2n(C(=O)N1)c(=O)[nH]c2=O	PC-id_363511	172.099	KPLHEIHNRIXGJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007764
O=C1N[C@@H](O)n2c(=O)[nH]c(=O)n12	ZINC22_1619978,PC-id_92151894,CoCoCo_5686804	172.099	KPLHEIHNRIXGJW-PVQJCKRUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007765
O=C1N[C@H](O)n2c(=O)[nH]c(=O)n12	ZINC22_5885539,CoCoCo_5686803,PC-id_92283410,NSC628443	172.099	KPLHEIHNRIXGJW-SFOWXEAESA-N	00000010100000000001000010000000000000000000000000000000	25-01-007766
COc1p(C)cc2c1OCO2	PC-id_142121725	172.118	FJPXBORVTKVWKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007767
FC1(F)Cc2cc(C=O)nn2C1	EMOLS-id_320438293,MCULE-3810696473	172.132	RSVHSDKENAZMKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007768
FC1(F)Cc2c(C=O)cnn2C1	EMOLS-id_317862910,MCULE-5194008230	172.132	AMSJQWWEBJOHCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007769
O=Cc1n[nH]c2c1C(F)(F)CC2	PC-id_105435030	172.132	FNLGLRVAWIVKAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007770
OC(=O)c1scc2OCOc12	EMOLS-id_92328984	172.159	CZGZPGYSXZNPTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007771
s1c2OCOc2c(c1)C(=O)O	PC-id_84013784	172.159	UWQMTMFVGVCQDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007772
s1c2OCOc2cc1C(=O)O	PC-id_84013785	172.159	DYXZNCYTPBIVFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007773
C1=c2c(=CS1(=O)=O)[nH]c(=O)[nH]2	SCHEMBL20658140,PC-id_137423430	172.162	BJANKAYOSHRHFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007774
CC1=NS(=O)(=O)c2c1ocn2	SCHEMBL8285762,PC-id_70333879	172.162	MUWIDTWUNVBVMN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007775
FC(c1nn(c2c1CCC2)C)F	PC-id_145769824	172.175	APVYSBZXBWOLKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007776
FC(c1n[nH]c2c1CCC2C)F	SCHEMBL17066935,PC-id_118357699	172.175	PDFBYPNLPOAZOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007777
[O-]S(=O)n1nc2c(c1)CNC2	PC-id_122488621	172.185	FIACALOMEWJZLA-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-007778
n12CCCc1c(c(N)c2C#N)C#N	PC-id_13573945	172.187	TVKQPIJTQXRFES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007779
CCC1(O)Oc2c(O1)csc2	PC-id_141072221	172.202	HBJXLDNXQCFGFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007780
OCc1scc2c1OC(O2)C	PC-id_141262096	172.202	DRGBSVVTYPOSIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007781
S1(=O)(=O)C(c2c(C1)coc2)C	PC-id_71342565	172.202	ATZWINGRMXCCBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007782
Cc1n[nH]c2c1CS(=O)(=O)C2	PC-id_15196512,SCHEMBL17232795	172.205	YJWDNHXWRWCJHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007783
CON1C(N)Oc2c1scc2	PC-id_69288464,SCHEMBL5036876	172.205	GFCIDEHWRNCFSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007784
CON1C(N)Sc2c1occ2	PC-id_69289744,SCHEMBL5039956	172.205	VACBWJWKNCBRFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007785
OCc1cn2c(n1)[S@](=O)CC2	SCHEMBL7177860,PC-id_70013593	172.205	LUAIPBOBFCCOAW-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007786
S1Cc2n(C1)c(=O)n(c2O)C	PC-id_53794127	172.205	FDWXMPOVBCZVEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007787
S1C(c2[n+](noc2[O-])C1)(C)C	PC-id_16723496	172.205	NDSIIMGGJKOMHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007788
S1C(n2c(C1)c(O)[nH]c2=O)C	PC-id_54098377	172.205	MYTVGEFVPHEUDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007789
S1C(N)C(O)c2c1[nH]cc2O	PC-id_82411871	172.205	CHGVZARYXMUJSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007790
S1C(N)C(O)c2[nH]cc(O)c12	PC-id_82411870	172.205	HWOQAQDCXPOVHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007791
C1C=CN2C1=CC=C2C(F)(F)F	PC-id_152173044	173.045	VPQHOEPTXJPLPV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007844
S1(=O)Cc2c(onc2CN)C1	PC-id_83481431	172.205	KFXZMLJDDAQCBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007792
S1(=O)CCn2c1nc(c2)CO	PC-id_18183083	172.205	LUAIPBOBFCCOAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007793
S1(=O)(=O)Cc2c(nn(c2)C)C1	PC-id_14983601	172.205	DMFHTTWXUVXTHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007794
S1(=O)(=O)Cc2n(ncc2C1)C	PC-id_14983602	172.205	VTWWJJCDTOBZPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007795
n12CCSc1nnc2CNO	MCULE-1885613344	172.208	LDYRSQJDSNRKRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007796
S1CCn2nc(nc12)CNO	PC-id_82598504	172.208	KCYVFRQBXUXKIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007797
Cc1nc2c(s1)CN(C2F)C	PC-id_89535388,SCHEMBL14907147	172.223	GFIWFGQCUOXJLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007798
NCc1nc2c(s1)C(CC2)F	PC-id_105435123	172.223	QLDFERZWQNNJEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007799
O=S1(=O)C=Cc2c1ccs2	PC-id_66991952,SCHEMBL1321664	172.225	QNIWBXDORSGJCA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007800
CC1=C(c2cncn2C1)/C=CC=C	PC-id_137387023,SCHEMBL20617518	172.226	JKAYCFDBEJOGTJ-PLNGDYQASA-N	00000011100000000001000010000000000000000000000000000000	25-01-007801
C/C=c
/c2C=C=Cc2n(/c1=C/C)N	SCHEMBL20073176	172.226	YNMWJXSRAUXMHZ-TTYYHJRKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007802
O=S=S1C=Cc2c1[nH]cn2	PC-id_141030939	172.228	ZMUINMGMLYXTRN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007803
c12[C](S[C](c1nsn2)N)N	SCHEMBL15713599,PC-id_90153829	172.231	KKADYPDAPXCBKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007804
c12CSCc1scc2CO	MCULE-1493031278,EMOLS-id_331059497	172.268	YAQTVNPIVMLDBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007805
c12CSCc1sc(CO)c2	MCULE-1344811412,EMOLS-id_330873409	172.268	LAPKUSXHZRIUKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007806
CC1Cc2c(C1)sc(=O)s2	SCHEMBL13196679,PC-id_59449504	172.268	MBJRIQWYTAOLBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007807
CC1CSc2c1scc2O	SCHEMBL18543423	172.268	FRBLCTDCFFCXHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007808
Cc1sc2c(c1)CS(=O)C2	SCHEMBL12622690,PC-id_58280908	172.268	FZLCABHKGLDPJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007809
Cc1sc(c2c1SCO2)C	SCHEMBL19725757	172.268	WXGRFUWQMHDQKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007810
O=c1sc2c(s1)CCC2C	SCHEMBL13196657,PC-id_59449505	172.268	ORLFRXBOEVAKPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007811
CC1Sc2c(N1)sc(n2)C	SCHEMBL18699220	172.271	NCQANQNJTFPOJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007812
s1c2CNCc2nc1SC	PC-id_82411758	172.271	MWDSAGVXTIPANQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007813
S1C(c2ncsc2C1)CN	PC-id_82411760	172.271	ZEHOXCPGSOLHAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007814
s1c(c2NSNc2c1C)C	PC-id_73772058	172.271	GOYJWPFVDKRIPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007815
S1CC(c2ncsc12)CN	PC-id_82411761	172.271	BZXIBZKVAKCZEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007816
s1c(=S)n2CC(N)Cc2c1	PC-id_83668839	172.271	MEIHMUILDDFGCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007817
s1nc2c(CNC2)c1SC	PC-id_82411759	172.271	DEYAFCBZUKIINP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007818
S1c2sc(c([n+]2CC1)C)C	PC-id_85842478	172.291	QCJHLKXGJIKKPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007819
BC1CSc2c1[nH]nc2Cl	SCHEMBL15759775	172.444	PSMUXGGTUGHVPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007820
Clc1c2OCCn2nc1C=O	PC-id_84038883	172.569	SVKXSJYCDXHARC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007821
Clc1n2CCOc2nc1C=O	PC-id_83481500	172.569	LCZUZOVTUIEOBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007822
Clc1nc2OCCn2c1C=O	PC-id_83481501	172.569	NGKUWOLJUVKCBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007823
c12COCc1nn(C)c2CCl	EMOLS-id_317870583,MCULE-7354162605	172.612	KYJGZCHRMQNTOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007824
c12COCc1nn(CC)c2Cl	EMOLS-id_324401236,MCULE-3709513844	172.612	MNYDXRDJIBULGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007825
Clc1n2CCCc2nc1CO	PC-id_84654512	172.612	UYAIUMZYIUQBIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007826
Clc1nc2n(CCC2)c1CO	PC-id_84654511	172.612	HMHNEABUOQGZED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007827
OC1CCn2c1nc(c2Cl)C	PC-id_142515039	172.612	KRGGNJLHUSFOGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007828
OCc1nn2CCCc2c1Cl	SCHEMBL3801572,EMOLS-id_324137273,PC-id_68793366	172.612	CLDFLALAMXEQBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007829
CC1Nc2c(c(nn2N1)C)Cl	PC-id_136185604	172.615	AOFRGOXVSHUKPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007830
CC1NNc2c(c(nn12)C)Cl	PC-id_136654660	172.615	LHMIQCAAJPPQNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007831
Clc1nn2CCN(c2c1N)C	PC-id_66897256,SCHEMBL1075065	172.615	XXEWQHCLKWTVDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007832
Clc1c2CCC(=O)c2sc1	PC-id_15365430	172.632	GCIQIBHCYCRRHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007833
Clc1cc2C(=O)CCc2s1	MCULE-1071397481,PC-id_15365429,EMOLS-id_30475967,CNP0193602,ZINC22_34539906	172.632	UAGPCGAVANHCNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007834
Clc1cc2c(s1)C(=O)CC2	SCHEMBL13145541,PC-id_15365431	172.632	KKLFZWDLTAANCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007835
Clc1scc2c1CCC2=O	PC-id_70399658,SCHEMBL10593862	172.632	BAPUNQWKXURMQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007836
c12CCCc1scc2CCl	MCULE-4483314983,PC-id_28318303,EMOLS-id_330467173	172.675	DSWCUHRDSGHQRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007837
CC1CCc2c1scc2Cl	SCHEMBL13845067,PC-id_89185959	172.675	COUPUPRBWOYPIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007838
Clc1cc2c(s1)C(CC2)C	PC-id_20737314,SCHEMBL13845087	172.675	RMUHJRBWTPBBLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007839
Clc1sc2CCC(c2c1)C	PC-id_20737313	172.675	BWBFFPLWLMBUCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007840
ClCc1cc2CCCc2s1	EMOLS-id_37563286,MCULE-9804613904,PC-id_43350832	172.675	JVXFZPJNAVDFQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007841
O=C1NC(=O)c2c1c([B])sc2[B]	PC-id_145494486	172.765	ZFNTXIMYQJDRCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007842
CC1=C2C(=C(S1)N)NSN2	PC-id_164180790	173.008	SLMWFDUGRAYQIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007843
C1Nc2c(N1)c[se]c2	PC-id_141144184	173.075	HYXNCDDAZRURCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007845
[se]1nnc2CCCc12	PC-id_10920983	173.075	TVOIEPBZXPRAQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007846
O=Cc1noc2c1CCC2(F)F	PC-id_105435356	173.117	CAIQFBAJHLNMOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007847
O=Cc1noc2c1C(F)(F)CC2	PC-id_105435357	173.117	CLXFSJZJCJJANU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007848
O=C1NS(=O)(=O)c2ccoc12	EMOLS-id_208098623,MCULE-7513089012	173.147	ZFAJIIBGHMGJBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007849
O=C1NS(=O)(=O)c2cocc12	EMOLS-id_208098626,MCULE-9971023577	173.147	UORLYQQMNOXLKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007850
O=C1NS(=O)(=O)c2occc12	EMOLS-id_207578561,MCULE-2457270388	173.147	LXNSFUSNUZXDAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007851
O=C1NS(=O)(=O)c2[nH]ncc12	EMOLS-id_208167339,MCULE-3655154665	173.15	LBVQNOATOXWBJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007852
S1(=O)(=O)CC(=O)n2ncnc12	PC-id_86191758	173.15	ZZFFINGXEABKAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007853
c12ccnn1CCN2CC(F)F	EMOLS-id_317864958,MCULE-2079128770	173.163	OUOZZVAIGPIBBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007854
Cn1nc(c2c1CCC2(F)F)N	PC-id_105435367	173.163	SLCGJMHKEYZBAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007855
FC(F)Cn1cc2CNCc2n1	MCULE-6524005734,EMOLS-id_324340064	173.163	KOHKEWICDJVVKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007856
n12CC(Cc1cc(CN)n2)(F)F	EMOLS-id_320438549,MCULE-9735801602	173.163	MXQXKHLYOAIZGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007857
n12CC(Cc1c(cn2)CN)(F)F	MCULE-5103242142,EMOLS-id_320440597	173.163	FIIIVXIKNHROJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007858
NCc1n[nH]c2c1C(F)(F)CC2	PC-id_105435368	173.163	QFZVZMHWKHMLEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007859
S1(=O)(=O)C(c2oncc2C1)C	PC-id_85677411	173.19	AIXXHFYTFKPCQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007860
OS(=O)n1nc2c(c1)CNC2	PC-id_122488622	173.193	FIACALOMEWJZLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007861
O=S(=O)n1nc2c(c1)CNC2	SCHEMBL18016685	173.193	MTWAJLUTFCJYLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007862
S1(=O)(=O)Cc2c([nH]nc2N)C1	PC-id_83481533	173.193	URPAIGAPWPAEGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007863
S1(=O)(=O)Cc2n(N)cnc2C1	PC-id_83481534	173.193	SZRGSNPAGKBKEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007864
C/C=C(/c1oc2=CCC=c2n1)C=C	PC-id_143366588	173.211	IBJDZEJOQUFWJJ-XBXARRHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007865
CC(=C)C(=O)c1ccc2n1CC=C2	SCHEMBL3701637,PC-id_68750352	173.211	IEUGIQGBATWMDE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007866
CS[C@@H]1Cc2[n+](C1)noc2O	SCHEMBL19432140	173.213	IITWCJFFKMFTHN-SCSAIBSYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007867
O=S1(=O)N=Cc2c1ccs2	SCHEMBL10835287,PC-id_70453823	173.213	MJHFTOBHOWQDTA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007868
S1C(c2[n+]([nH]oc2=O)C1)(C)C	PC-id_16723497	173.213	NDSIIMGGJKOMHP-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-007869
S1c2n(C(=O)C1)c(=S)[nH]n2	PC-id_85584256	173.216	USXLRDHZHWHXGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007870
N#CC#Cc1sc2c(c1)CCC2	EMOLS-id_114422698,PC-id_116791069	173.234	QFRLGLSWCBFNFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007871
CC=C1C(=C(c2c1cc([nH]2)C)C)C	SCHEMBL6546831,PC-id_69821223	173.254	XUTZOTLRGMDGOW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007872
C/C=Cc1c(C=C)cc2n1CCC2	PC-id_143902102	173.254	MZAPWCFOSGVEGR-UTCJRWHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-007873
O=S1N(C)Cc2c1ccs2	PC-id_143024973	173.256	ZRNKYPYFFBUFMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007874
s1sc(=NO)c2CCCc12	PC-id_85884848	173.256	MSSBBXAJFYHGFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007875
Clc1oc2C(N)CC(O)c2c1	PC-id_84049402	173.597	JCRQGUNRWIKMKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007876
C1Cn2c(cc(=O)n2C1)NCl	SCHEMBL13680339,PC-id_89146992	173.6	OMFGUJPSRTXSOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007877
Clc1c2OCC(n2nc1)CN	PC-id_84732030	173.6	SSLIQGLDVJHQBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007878
Clc1sc2CC(=O)Nc2c1	SCHEMBL659918,PC-id_16639215	173.62	KAIOBNRIBDMFDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007879
Clc1sc2NC(=O)Cc2c1	PC-id_16639225	173.62	KOFQJTGKFKNMSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007880
c12CNCc1scc2CCl	MCULE-5052853142,EMOLS-id_331063595	173.663	IPGSDURNQJRBPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007881
c12CN(Cc1scc2Cl)C	EMOLS-id_330872135,MCULE-7332630985	173.663	AHMBHDWNSIVXPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007882
c12C(N)CCc1sc(Cl)c2	MCULE-8409487101,PC-id_81252876,EMOLS-id_53843703	173.663	NFNYFBDVONTICE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007883
CC1CCc2c1nc(s2)Cl	SCHEMBL12877422,PC-id_88973812	173.663	ATTXOPBXCCFGOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007884
Clc1c2CCCc2sc1N	PC-id_84766581	173.663	ZOJWRKGTPQUYKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007885
Clc1sc2C(N)CCc2c1	PC-id_83906039	173.663	ARMQTRNLTNCWMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007886
ClCc1nc2CCCc2s1	MCULE-1459293665,EMOLS-id_36503409,PC-id_46784914	173.663	VAUQJTYIHTXBJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007887
Nc1c(Cl)sc2c1CCC2	PC-id_121599890,EMOLS-id_96467395	173.663	WYCNWSRKCOTCAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007888
N[C@H]1CCc2sc(Cl)cc12	EMOLS-id_337150156	173.663	NFNYFBDVONTICE-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007889
N[C@@H]1CCc2sc(Cl)cc12	EMOLS-id_337153995	173.663	NFNYFBDVONTICE-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007890
C12=C(SC(=C1NSN2)N)N	PC-id_163711954	174.003	JJNHHVUAPAJHML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007891
[n+]12CC(C)[B-]c1n(CCC=C)cc2	PC-id_77994552	174.05	UQADBBJMOUCQQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007892
[n+]12C[C@@H](C)[B-]c1n(CCC=C)cc2	PC-id_71497409	174.05	UQADBBJMOUCQQP-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007893
C1C2=CC(=NN2CC1(F)F)CO	EMOLS-id_317862398,PC-id_162349450,MCULE-8273915524	174.06	JEKXKUJIOIBAQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007894
OC(=O)C(=O)c1ccc2n1C=CC2	PC-id_142683537	177.157	HCFKLCACGKZHNT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008097
C1C2=C(C=NN2CC1(F)F)CO	MCULE-1408563274,EMOLS-id_317863166,PC-id_162349399	174.06	KFXLCESIXUMCIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007895
CC1=C2CCC(C2=C(N1C)C)C#N	PC-id_154266951	174.116	KHZGIVPZVYUSJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007896
O=c1oc2=CS(=O)(=O)C=c2o1	PC-id_141220832	174.131	FKTNYRQJTOSOLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007897
FC(c1nn(c2c1COC2)C)F	PC-id_145770041	174.148	ZOLFHTIYTUJAKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007898
NCc1noc2c1CCC2(F)F	PC-id_105435720,EMOLS-id_313649297	174.148	VAHYDWYDJCDVOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007899
NCc1noc2c1C(F)(F)CC2	PC-id_105435723	174.148	CNWHHBMEXIMEQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007900
OCc1n[nH]c2c1C(F)(F)CC2	PC-id_105435724	174.148	ZRNHWGIBWLWPIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007901
Nc1onc2c1CS(=O)(=O)C2	PC-id_105435736	174.178	YUSYKVGROTVQPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007902
O=c1[nH][nH]c2c1CS(=O)(=O)C2	PC-id_105435737	174.178	JJINHLIVUQRTEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007903
S1(=O)(=O)Cc2c(onc2N)C1	PC-id_83481635	174.178	GMVPDFBKQUEMOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007904
C#CCON=C1CCn2c1ccc2	EMOLS-id_114424950	174.199	IJSVLLCBFORMDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007905
CCCC1=Nc2n(C1)cnc2C#N	PC-id_69961406,SCHEMBL7016167	174.203	HYIBRGHWOUQUIF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007906
Cc1scc2c1CC(C2)(F)F	PC-id_145406036	174.211	LUUPXOUJNYSVEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007907
OC1SC(c2c1scc2)O	PC-id_19078192,SCHEMBL7847283	174.241	TVCBPUASNGIQOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007908
O=S1(=O)CCc2c1scc2	SCHEMBL9459202,PC-id_19759867	174.241	DCADGEXKNWQJGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007909
CC(C)c1cc(C#N)c2CCCn12	ZINC22_218297306,MCULE-4305547892,EMOLS-id_50383212,PC-id_100010795	174.242	CMIWENGNPVZLHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007910
CC(C)(C#C)c1n[nH]c2CCCc12	MCULE-5370878052,EMOLS-id_313877331	174.242	LVULOYAGBATIDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007911
CC(C)n1nc(C#C)c2CCCc12	MCULE-5937432004,EMOLS-id_324399710	174.242	HNCLMKRZJRAPHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007912
N#CC1(C)CC(c2c1c[nH]c2)(C)C	SCHEMBL11334271,PC-id_23456172	174.242	GZCHWIYZZIHMKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007913
[nH]1c2c(CCC2)c(c1C)C(C)C#N	PC-id_84766710	174.242	MLRBLOCLYPPIAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007914
[nH]1c2c(CCC2)c(c1C)CCC#N	PC-id_84766712	174.242	XNRKBIRLLJGUOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007915
Cc1c(c2c(s1)CSC2)F	PC-id_90871586	174.259	BQWOQTFRRASCRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007916
S=c1ssc2c1CCC2	ZINC22_345303,CoCoCo_6872432,TIMTEC31116,CHEMBL1173197,SCHEMBL16568440,SPECS-id_AS-970/QB07945,PC-id_825735,SPECS-id_AS-970/QB07800	174.307	AVSGTGUIBQOXJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007917
Clc1cc2c(s1)C(=O)OC2	PC-id_105435948	174.605	PTHOCBKNABIGPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007918
Clc1nc2CNC(=O)c2s1	MCULE-3085425552,EMOLS-id_316772906	174.608	MPZSULJAJGDTOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007919
OC1Cn2[n+](C1)ccc2C.[Cl-]	CHEMBL1503825	174.628	MVTYILCWQDNJDN-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-007920
c12COCc1scc2CCl	MCULE-3843236279,EMOLS-id_331062317	174.648	WCPGZZFZKPWUDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007921
Clc1cc2c(s1)CC[C@@H]2O	PC-id_96543258	174.648	SLOHUYPTDZQHLC-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007922
Clc1cc2c(s1)CC[C@H]2O	PC-id_96543259	174.648	SLOHUYPTDZQHLC-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007923
OC1c2c(sc(c2)Cl)CC1	MCULE-9758377850,EMOLS-id_43676702,PC-id_71756517	174.648	SLOHUYPTDZQHLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007924
c12CSCc1nn(C)c2Cl	EMOLS-id_107148852,MCULE-7976380259,PC-id_83193150	174.651	ANVZIBXJRASFLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007925
c12SCCn1cc(CCl)n2	PC-id_18804067,MCULE-7308834201	174.651	UKVKYJDDYVZUGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007926
Clc1nn(c2c1CSC2)C	PC-id_83846296	174.651	DTSWMKYMPXXWLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007927
ClCc1cnc2SCCn12	EMOLS-id_259552874,MCULE-4542416749	174.651	HVWYYVHRERTQQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007928
N[C@H]1CCc2sc(Cl)nc12	EMOLS-id_337838628	174.651	NSOBQLUQTGOZKR-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-007929
N[C@@H]1CCc2sc(Cl)nc12	EMOLS-id_337839396	174.651	NSOBQLUQTGOZKR-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007930
C1Cn2c(nc(n2)Cl)C1S	PC-id_163925147	174.997	RDUVQMMDZWPNRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007931
C1=CN2C(N=NC2=C1)C(F)(F)F	PC-id_152437508	175.036	XQTNOHKTGHYNNB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007932
C1C(=NC2=NC=CN21)C(F)(F)F	PC-id_154458577	175.036	NJUORCCRLOUQKS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007933
C1Oc2c(O1)c[se]c2	PC-id_141144180	175.044	IGYAPLXZMFNCKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007934
CCC1=CC2=C(S1)C(=CC2)C#N	PC-id_163928517	175.046	RGPONRONRCEWCD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007935
C=CC(=O)OC1C=CN2C1=CC=C2	PC-id_153871653	175.063	KAYWTWQBRMPJIL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007936
C[N+]1(C=Cc2c1n(cc2)N=C)N=C	PC-id_163804212	175.098	JVGLBDJOYWDTIH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007937
CC1C(=C(C)C)C(=O)C2=CC=CN12	PC-id_150335606	175.1	GQPIKCRQPUBDQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007938
FC(C1=Nn2c(ncc2)C1)(F)F	EMOLS-id_331013684,MCULE-4999210811	175.111	CAPHGALHHGIPOM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007939
OCc1noc2c1CCC2(F)F	EMOLS-id_313784460,PC-id_105435958	175.133	QPRWVHRAECMYDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007940
OCc1noc2c1C(F)(F)CC2	PC-id_105435959	175.133	IHBOSLUAZDWVNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007941
O=C1n2c(C(=N)N1C)c(nc2)C#N	PC-id_12830559	175.147	ZYUOLTNWYPANGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007942
OC(=O)C(=C)C1c2n(C=C1)ccc2	SCHEMBL9458532,PC-id_21655863	175.184	MWZKQGDBLHXRMV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007943
OC(=O)C=Cc1ccc2n1CC=C2	SCHEMBL9458528,PC-id_67855983	175.184	PSMVTZFGCYYZRG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007944
Cc1c(C#N)c2n(c1C)CC(=O)N2	CoCoCo_5672295,LI_205408,ZINC22_1613399,PC-id_358001,NSC617681	175.187	CBEBAJJBQNEDTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007945
CC#CC(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_97218777,MCULE-8103710370	175.187	UNLCEHMJHYKFKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007946
C#CCC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_97210191	175.187	JEGCTZMOPGJURZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007947
CC#CC(=O)N1CCn2nccc12	EMOLS-id_114427892	175.187	MQTPFDBJNPHGRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007948
C(n1ncc2c1CCC2=O)CC#N	PC-id_142652483	175.187	BGCGTSAANXITQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007949
c12CCCc1oc(CC)c2CC#N	MCULE-2790873814,PC-id_83610212	175.227	WBDVWVFYZMEOMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007950
CC1=Cc2cc(cn2C1=O)C(C)C	SCHEMBL12970370,PC-id_88992569	175.227	UVQDNKXOIXPMGQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007951
Cc1ccc2n1C(=O)C=C2C(C)C	PC-id_88992566,SCHEMBL12970367	175.227	VDFUENUEZXQCLM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007952
Cc1cn2c(c1)C=C(C2=O)C(C)C	PC-id_68329140,SCHEMBL12617395	175.227	VDMSXLBRHHCLLC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007953
C/C=c
/[nH]c2c(c1=C)CC(C2=O)C	SCHEMBL18812796	175.227	PDUXRLBMZCNORR-RUDMXATFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007954
CCc1[nH]c2c(c1C(=O)C)C=CC2	PC-id_143429317	175.227	AMIDQJWEHFULIR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007955
C=CCc1cn2c(c1C)CCC2=O	PC-id_101107960	175.227	NGOUMSUFQIDGLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007956
CCCCC1=Cc2n(C1=O)ccc2	PC-id_139385874,SCHEMBL21240915	175.227	HNIZEBVYQBGWIO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007957
CCCC(=O)c1cc2c([nH]1)C=CC2	PC-id_144135275	175.227	RVVOJPXMQKATMQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007958
CC(C(=O)c1cc2c([nH]1)C=CC2)C	PC-id_58133958,SCHEMBL12863925	175.227	UYTKNIYMIDBJDM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007959
o1c2c(CCC2)c(c1C(C)C)C#N	PC-id_83610274	175.227	DZJSRPMQMZLUAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007960
o1c2c(CCC2)c(c1CCC)C#N	PC-id_83610346	175.227	REWUVRBONFUHDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007961
o1c2c(CCC2)c(c1C)C(C)C#N	PC-id_84766954	175.227	WVMUPCUULAEYCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007962
o1c2c(CCC2)c(c1C)CCC#N	PC-id_84766955	175.227	HVMUKAYZODMJQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007963
O=C1C=C(c2n1c(cc2)C(C)C)C	PC-id_68329074,SCHEMBL12617147	175.227	ITOOLSWERJGTBL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007964
O=C1n2cccc2C=C1C(C)(C)C	PC-id_118633839,SCHEMBL17404500	175.227	FNUHOBLGUULKPB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007965
O=C(C1=C(c2n(C1C)ccc2)C)C	PC-id_12422648	175.227	VLKQLAATDFYSGC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007966
O=C(c1c(n2c(c1C)C=CC2)C)C	PC-id_12422649	175.227	JNHWYCJMNJQIOG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-007967
O=S1(=O)c2c(ccs2)CN1	SCHEMBL13786459,MCULE-5464794990,EMOLS-id_277374628,PC-id_57791733	175.229	ZWMYFLZDNDCAFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007968
O=S1(=O)NCc2c1ccs2	SCHEMBL8250932,PC-id_57791762	175.229	MOGNMJYLWUJAQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007969
O=S1(=O)NCc2c1csc2	PC-id_57791656,SCHEMBL13786462	175.229	YDLFCRYNGKIDSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007970
S1(=O)(=O)Cc2scnc2C1	PC-id_10942972	175.229	KRHLLQJKIIMCLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007971
c12C(C)CCc1n(nc2)CCC#N	MCULE-9410538964,EMOLS-id_331022053	175.23	UVMOZIREYSMYRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007972
c12C(C)CCc1nn(CCC#N)c2	MCULE-8835552043,EMOLS-id_331005096	175.23	VORXGLICWZMYET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007973
c1cn2c(c1)C(=NNC1CC1)CC2	EMOLS-id_114429464	175.23	OYUQKBGAIDPWNL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-007974
c1(C#N)c2C(C)CCc2n(CC)n1	MCULE-3008782118,EMOLS-id_331019519	175.23	IQFFNVAJGIDRPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007975
c1(C#N)n(CC)nc2CCC(C)c12	EMOLS-id_331005630,MCULE-5336673508	175.23	YHNODIHNPNOZME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007976
C#CCCNC1CCn2c1ncc2	EMOLS-id_194684217	175.23	FWGLETSPOXPENE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007977
CC#CCNC1CCn2c1ncc2	EMOLS-id_96772028	175.23	PGFSCRNXTUYMMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007978
CC(C)(C#N)c1n[nH]c2CCCc12	MCULE-9316288729,EMOLS-id_313888851	175.23	LKIJQRSGLUILEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007979
CC(C)n1nc2CCCc2c1C#N	MCULE-5174728923,PC-id_105436230,EMOLS-id_70118694	175.23	KUSSESFLQQISQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007980
CC(C)n1nc2CNCc2c1C#C	MCULE-9361637332,EMOLS-id_324355695	175.23	XEIGAVYRZJJVRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007981
CC(C)n1nc(C#N)c2CCCc12	PC-id_90162105,EMOLS-id_324387416,SCHEMBL15723691,MCULE-6631154711	175.23	NOEZBOMYWPJLEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007982
C#CC(NC1CCn2c1ncc2)C	EMOLS-id_96772031	175.23	ZUFZDHVRWBJIHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007983
C=CCNN=C1CCn2c1ccc2	EMOLS-id_304187418	175.23	JIIRHNWMNAJNML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007984
n12c(CCC1)c(nc2C)CC[N+]#[C-]	PC-id_83481819	175.23	CSUQZOQDDMMQLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007985
n12c(CCC1)c(nc2CC[N+]#[C-])C	PC-id_83481815	175.23	OQHKNXMVZDOSSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007986
n12ncnc1C(=C)C(C2)(C(=C)C)C	PC-id_21827480	175.23	DTXOZECOCXCLQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007987
n1(c2CCCc2nc1C#N)C(C)C	PC-id_82411072	175.23	FBBUDZIBJYUFJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007988
n1(CC#C)c(CN)c2c(CCC2)n1	MCULE-8957532722,PC-id_121214352,EMOLS-id_70118684	175.23	RMNFAPOTCJIBEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007989
CCCc1c(C=C)cc2n1CCC2	PC-id_143902134	175.27	RFSNYJHZNLJXNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007990
n12CC(C(c1ccc2)(C)C)C(=C)C	PC-id_11052175	175.27	IIXBSHSZCKBDRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007991
C1Cc2c(sc(S)n2)S1	PC-id_53274896,MCULE-6250818560	175.295	OVTQQKDKXGVAGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007992
Sc1sc2c(n1)CSC2	SCHEMBL18558814	175.295	MGBONJLRTVLZOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007993
Clc1nn2c(SCC2=O)n1	PC-id_84048502	175.596	RHVCJRCOGAEMJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007994
Clc1n2CCC(S)c2nn1	PC-id_19978589	175.639	OGSJDABMAVELMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007995
C1C(=C=O)C2=C(C1=C=O)SC=C2	PC-id_162354278	175.993	UNABEUFFPBSGKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007996
[B]C[C@@H]1C[C@@H](c2c1cnn2C)CO	PC-id_134855318	176.023	XHXHZSHJNYAFIW-NKWVEPMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-007997
[B]c1c(sc2c1CC(C2=O)C)C	PC-id_89352639	176.043	OLBAIWMUFOHKFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-007998
FC(c1nn2c(c1)N=NC2)(F)F	PC-id_67340672,SCHEMBL2266262	176.099	UZWVSPDXMABBCM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-007999
CCC1(CC2=C(N1)NC=C2)CC=C	PC-id_164036961	176.131	VMWFMWBXEZOATN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008000
CCC1=C(CC2=CN=CN21)C(C)C	PC-id_155097383	176.131	BTOWDMDIPDFLOH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008001
CCN1C2=C(CCC2)C(=N1)C(=C)C	PC-id_153575572	176.131	LVZKPMBRWPAUAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008002
c1(C(F)(F)F)c2CCCc2n[nH]1	MCULE-9771322111,SCHEMBL4753717,CoCoCo_6650610,ZINC22_5799093,PC-id_1503280,CoCoCo_6650611,CoCoCo_1979871,EMOLS-id_6803384,EMOLS-id_1885002,STOCK6S-25871,CoCoCo_1979870	176.139	STVFXOQFVSGNKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008003
FC(F)(F)c1[nH]c2c(CNC2)c1	PC-id_82410998	176.139	IXKFHVGQGOLSRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008004
Cc1cn2c(n1)OS(=O)(=O)O2	PC-id_140587494	176.151	DPPNTFQVYZXZJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008005
[O-][n+]1onc2c1CCS2(=O)=O	SCHEMBL9306688,PC-id_18957952	176.151	SVHICISPBAKUGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008006
CCOC(=O)c1c2C=C=Cc2n[nH]1	PC-id_89269749,SCHEMBL14192893	176.172	RNYZLAGUKSIMMV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008007
O=C1c2[nH]c(cc2NC1=O)CC=C	PC-id_77727970	176.172	MFLWJXVGEXRJGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008008
C(C(=O)N1CCn2c1ccn2)C#N	EMOLS-id_114431545	176.175	TWCYRZONHLVGLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008009
N#CCC(=O)N1Cc2c(C1)c[nH]n2	MCULE-8009764573,EMOLS-id_97210050	176.175	KIMCKYBTURJQMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008010
O=C(N=[N+]=[N-])c1n2CCCc2cc1	PC-id_85693157	176.175	JHJLXKBQDKSMAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008011
c1(C(F)F)[nH]nc2CSCc12	EMOLS-id_317871861,MCULE-9280079132	176.187	FDKZXFDTUOZPKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008012
Nc1nc2c(s1)C(CC2)(F)F	PC-id_105436412	176.187	NFWPZKOFIIABRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008013
CC1=C(c2c[pH]c(=C)c2=C1C)C	PC-id_91806538	176.195	VDVJLJIYRFBRSI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008014
CC1=Cc2n(C1=O)cc(n2)C(C)C	SCHEMBL12970014,PC-id_88992458	176.215	ADEYJLTVBXHAQO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008015
CC1=Cc2n(C1=O)nc(c2)C(C)C	PC-id_68328945,SCHEMBL12616656	176.215	ZSOYVSBRYCEPSW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008016
Cc1nn2c(c1)C=C(C2=O)C(C)C	SCHEMBL14791485,PC-id_89449908	176.215	AXAQTGJFNSXSSX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008017
CC(c1ncc2n1C(=O)C=C2C)C	PC-id_68328944,SCHEMBL12616655	176.215	XOCWBBFTGZSIRG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008018
CCCc1nc2c([nH]1)CC(=C2)C=O	PC-id_91379193	176.215	FUXABILEDPNRFN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008019
CC(=O)C=C1CC(n2c1ncc2)C	EMOLS-id_303190979	176.215	DLSRVUNGJKYIPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008020
N#CCCNC1CCn2c1ncc2	EMOLS-id_265306469	176.218	BDUGCPUFGDVZMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008045
CC(=O)C=Cc1n[nH]c2CCCc12	EMOLS-id_313869394,MCULE-2162974761	176.215	DEQUIWYKESNZJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008021
CN(/C=C/1Cn2c(C1=O)ccc2)C	CoCoCo_3955752,PC-id_6389068	176.215	UINZBNFZRXZRGX-SOFGYWHQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008022
CN(C=C1Cn2c(C1=O)ccc2)C	EMOLS-id_26201103,PC-id_4844797,MCULE-3790935621	176.215	UINZBNFZRXZRGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008023
CN(C)/C=C
/Cn2cccc2C1=O	ZINC22_11565443,CoCoCo_3955753	176.215	UINZBNFZRXZRGX-VURMDHGXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008024
COCc1cc(C#N)c2CCCn12	EMOLS-id_50383216,ZINC22_218297448,PC-id_100010799,MCULE-2151198317	176.215	HNNJGLIILUZWDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008025
n1(CC#C)c(CO)c2c(CCC2)n1	EMOLS-id_70118664,MCULE-1805412251,PC-id_121214346	176.215	KZQZTLLUIKLGME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008026
o1c2c(C(N)(CC2)CC#N)cc1C	PC-id_83683131	176.215	JBDROFUBWJNLMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008027
O=S1(=O)NCc2c1cns2	PC-id_57791523,SCHEMBL13786495	176.217	HSMPDKYKNRODCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008028
O=S1(=O)NCc2c1csn2	SCHEMBL13786497,PC-id_57791653	176.217	GBIOPRXHYXTIGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008029
O=S1(=O)NCc2c1ncs2	SCHEMBL13786467,PC-id_57791673	176.217	AZDSHMDZNGEPTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008030
O=S1(=O)NCc2c1nsc2	SCHEMBL13786496,PC-id_57791578	176.217	IQDLAEJLLZGOTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008031
O=S1(=O)NCc2c1scn2	PC-id_57791657,SCHEMBL13786468	176.217	MQZDVKJTHVQCCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008032
O=S1(=O)NCc2c1snc2	SCHEMBL13786494,PC-id_57791677	176.217	YYKICJHOAJCVOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008033
c12CN(Cc1nn(C)c2CC#N)C	EMOLS-id_317878770,MCULE-6174330357	176.218	QSYLFHVSFORWMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008034
c12CNCc1nn(CCC)c2C#N	EMOLS-id_324357479,MCULE-4372980110	176.218	LBIMZVSEFKBTJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008035
c1(N)n(CCC#N)nc2CCCc12	PC-id_276384,LI_138983,CoCoCo_5451492,TIMTEC545537,NSC124135,MS2_S434213,ZINC22_1713354,SCHEMBL11743978,MCULE-4204786716,EMOLS-id_1014337	176.218	XGKBJTZXDKBXEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008036
CC(C)c1c2NCCn2nc1C#N	PC-id_137212132	176.218	DITIQUSTFSVINQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008037
C#CCNCc1nnc2n1CCC2	EMOLS-id_194673555	176.218	ZTGSXCGHYVYZJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008038
CCn1nc2c(c1C#N)CN(C2)C	PC-id_105436580	176.218	NJVHGVYIHXPAEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008039
CCn1nc(c2c1CN(C2)C)C#N	PC-id_105436572	176.218	WQCJBTVHKXIHNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008040
N1(Cc2n(ncc2C1)CC)CC#N	PC-id_82410791	176.218	VRITZVXEZQJONP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008041
n1(nc2c(CCC2)c1N)C(C)C#N	PC-id_21418968,SCHEMBL11743973	176.218	HUUMPTSZMVZZGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008042
N#Cc1nn(c2c1CNC2)C(C)C	PC-id_105436571	176.218	DBEYIJDHJBLQRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008043
N#Cc1n(nc2c1CNC2)C(C)C	PC-id_105436579	176.218	QTYJIUGNHAGHTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008044
N#CN1Cc2c(C1)[nH]nc2C(C)C	SCHEMBL17229857,PC-id_118489374	176.218	OJSDLEYVLLNDPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008046
C#CC(=O)c1sc2c(c1)CCC2	PC-id_114978631,EMOLS-id_96556273	176.235	CNSKUJNIJVLTHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008047
CCCCC1=CCc2coc(c12)C	PC-id_91267457	176.255	RUGYOYYHFIMAMZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008048
c12C(C)CCc1nn(CC1CC1)c2	MCULE-8569543662,EMOLS-id_331005350	176.258	KYGJFPJFHZYIBT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008049
CC1Cc2c(C1NC1CC1)c[nH]c2	PC-id_112714462	176.258	IOMUBMNCXUJXPQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008050
CC1CCc2c1cnn2CC1CC1	EMOLS-id_331022307,MCULE-5104839864	176.258	LWROMRBNVGIDQF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008051
CC1=C(C)c2c(C1C)[n+](C)[c-]n2C	PC-id_139113903	176.258	NWSXWHNWBXZGBE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008052
CCCCCC1=Cc2n(C1)ccn2	SCHEMBL11299187,PC-id_70558039	176.258	SLHFFGDHVREOAY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008053
CCCCCc1cn2c(c1)N=CC2	SCHEMBL11299191,PC-id_70558041	176.258	XSWDTJKRKVYJRC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008054
CC(=C)[C@@H]1Cc2c(C1)c(nn2C)C	PC-id_102094578	176.258	NEHOSVOFXPXKPZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-008055
CC(=C)[C@@H]1Cc2c(C1)c(n(n2)C)C	PC-id_102094579	176.258	JNUUOHMEDQFVBH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-008056
CN1[CH-]N(c2c1c(C)[c-](c2C)C)C	PC-id_101382046	176.258	LOPJFJLUZFFHJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008057
n12c(C(N=C1C)C)c(c(c2C)C)C	PC-id_20656981	176.258	MTPUPIDVXMAJNA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008058
n1(nc2CC(Cc2c1C)C(=C)C)C	PC-id_73821533	176.258	JNUUOHMEDQFVBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008059
n1(nc2C[C@@H](Cc2c1C)C(=C)C)C	PC-id_21673546	176.258	JNUUOHMEDQFVBH-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008060
n1(nc(c2CC(Cc12)C(=C)C)C)C	PC-id_73821534	176.258	NEHOSVOFXPXKPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008061
n1(nc(c2C[C@H](Cc12)C(=C)C)C)C	PC-id_21673547	176.258	NEHOSVOFXPXKPZ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008062
N(C1CC1)C1CCc2c1cn(c2)C	PC-id_83906176	176.258	CJSGXBVMRTUIPO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008063
Cc1cc2c(s1)C(=C(C)C)C=C2	SCHEMBL17175247,PC-id_118446318	176.278	OIZQDBGJFDNGJH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008064
CC1(C(=C)C(=C)c2c1ccs2)C	PC-id_90873245	176.278	OKAUENJWHIWUQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008065
CC(C#C)c1cc2CCCc2s1	MCULE-7244938947,EMOLS-id_313838260	176.278	DTTIQBBHVXNMOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008066
C#CCCc1cc2CCCc2s1	MCULE-9419139531,EMOLS-id_313790923	176.278	HVEPZZYMGGUPDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008067
C1c2c(CS1)sc(=O)s2	PC-id_134973434	176.28	JASLBDNRHWXMRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008068
c1(=O)sc2SCCc2s1	PC-id_10899208,CT-id_2206302	176.28	PTENMWJAIQUFSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008069
C[Si](=C1C(=Cc2c1cco2)C)C	SCHEMBL6456258,PC-id_69786391	176.287	KRHJPTVASOZMPJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008070
O(C(=O)c1cn2c(c1)C=CC2=O)C	PC-id_42638544	177.157	QKCWZDQNTCFAFY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008096
C[Si](=C1C(=Cc2c1coc2)C)C	SCHEMBL6455049,PC-id_69786063	176.287	QDHWWUVWQOTRRA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008071
C[Si](=C1C(=Cc2c1occ2)C)C	PC-id_69786062,SCHEMBL6455042	176.287	QTLPJAPEBHKPRT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008072
Clc1[nH]nc2N(N)CSc12	SCHEMBL8165132,PC-id_23282048	176.627	RUSVHOPECBNWRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008073
c12CSCc1scc2Cl	MCULE-6492597671,EMOLS-id_330873923	176.687	JHBHLRAIGRLBLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008074
CC1CC2=CC(=NN2C1)CN=[N+]=[N-]	PC-id_162349476	177.101	PJHJGEUVLDEYIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008075
CC1CCC2=CC(=NN12)CN=[N+]=[N-]	PC-id_162349462	177.101	AZKWZDQWTOBUII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008076
CCCC1CC2=C(C1=O)NC=C2C	PC-id_164141524	177.115	YWQMHYGJJYMUJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008077
c1c[nH]c2c1N=C(C2=O)C(=O)N=O	PC-id_88316478,SCHEMBL8523790	177.117	COGNBJDYOASGRP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008078
FC(F)(F)c1coc2CNCc12	MCULE-9017779255,EMOLS-id_208098431	177.124	ARYNQBLSYGZJAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008079
c1(C(F)(F)F)nnc2CCCn12	MCULE-8420509805,PC-id_146013543,EMOLS-id_324798475	177.127	WEXXAAOPLCUROY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008080
c1(C(F)(F)F)n[nH]c2CNCc12	ZINC22_20445704,MCULE-4327178692,EMOLS-id_4365061,SCHEMBL3329162,EMOLS-id_317873397,PC-id_50989373	177.127	FIVXVFWOXHQVFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008081
C1Cn2c(cc(n2)C(F)(F)F)N1	PC-id_136328616	177.127	SZNVCIRYCUQXRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008082
CC1=NCc2nc(cn12)C(C)(C)C	PC-id_163551867	177.127	YNOQXIWNTUFRSS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008083
C/C=C/CNC1Cc2nccn2C1	PC-id_163799948	177.127	NECCMNMFCMWCOA-NSCUHMNNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008084
FC(c1[nH]c2c(n1)CNC2)(F)F	SCHEMBL8237783,PC-id_45120581	177.127	NUMWDUZBMFQOGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008085
Nc1cn2c(n1)OS(=O)(=O)O2	PC-id_140491372	177.139	IKCFYFGLLDCDRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008086
Nn1nc2c(c1)OS(=O)(=O)O2	PC-id_141136616	177.139	SAORIODCYWJVSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008087
C1C=Cn2c1ccc2OC(=O)C=O	PC-id_142683536	177.157	PNLCBMLMITXQKI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008088
Cc1c(oc2c1OC(=O)C2C#N)C	PC-id_134555402,SCHEMBL20203692	177.157	PJOKHBUHBWLRKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008089
C=CCc1c2c(co1)C(=O)NC2=O	PC-id_90043118,SCHEMBL15572782	177.157	XMXFIYCOFNGHFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008090
C=CCN1C(=O)c2c(C1=O)coc2	PC-id_90042906,SCHEMBL15572426	177.157	USKOUEUTGFBPAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008091
COC(=O)C1=CC(=O)n2c1ccc2	PC-id_90935986	177.157	QLASCNGGYTXDFN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008092
O=C1c2c([nH]c(c2C)C=O)C(=O)C1	PC-id_45116153	177.157	RDBVUBZFEJUCKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008093
O=C1n2c(C=C1C(=O)OC)ccc2	PC-id_10678865	177.157	CNUBAARGQKUMON-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008094
O(C(=O)c1c2n(cc1)C(=O)C=C2)C	PC-id_10583427	177.157	CERFQONMTSGKRF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008095
C#CCN1Cc2conc2/C/1=NO	PC-id_135802526	177.16	ZEZWESWUFZVIGY-CMDGGOBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008098
C1Cc2c(C1)[nH]nc2C(=O)N=[N+]=[N-]	PC-id_137707217	177.163	KAMVRZFOWVCHNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008099
CCc1[nH]c(C=O)c2CCC(=O)c12	EMOLS-id_337732479	177.2	KJMKJSUYFGYNNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008100
C=CCn1cc2c(c1C)C(=O)OC2	PC-id_102413123	177.2	PJVQNGQTWIHJQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008101
CCOC(=O)c1cc2c([nH]1)CC=C2	PC-id_144126385	177.2	XVXXFBMTNWFSIZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008102
CCOC(=O)C1C=Cn2c1ccc2	PC-id_141037625	177.2	CYCUIOCQNTWPEJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008103
COC(=O)c1cc2c([nH]1)CCC2=C	SCHEMBL1004062,PC-id_66873455	177.2	GGKGVTWNHJJKIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008104
COC(=O)CC1C=Cc2cccn12	PC-id_91665436	177.2	WGLVKKROAHAYSZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008105
COC(=O)Cc1ccc2n1CC=C2	PC-id_91665435	177.2	GCANWZVUWPBMFC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008106
o1c2c(CCC2)c(c1COC)C#N	PC-id_83610048	177.2	OHDQVFBLABTXMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008107
O=C1c2[nH]c(c(c2CC1)C(=O)C)C	PC-id_21051538	177.2	KAOQWRMJGVZJHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008108
O(C(=O)c1c2n(CC=C2)cc1)CC	PC-id_13273517	177.2	WHKGKDLCSCUISO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008109
OC(=O)c1cc2c([nH]1)C=CC2(C)C	PC-id_57659924,SCHEMBL8157836	177.2	ZYDHPZIGDHTKML-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008110
OC(=O)c1cc2c([nH]1)C(C=C2)(C)C	SCHEMBL8151474,PC-id_57659849	177.2	GNLNTZMKNNJYTG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008111
O(C(=O)C1=Cc2n(C1)ccc2)CC	PC-id_13010024	177.2	RNYHVLPMFBPYAR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008112
O(C(=O)c1cn2c(c1)C=CC2)CC	PC-id_12335067	177.2	GGKBEHZQMOUPAQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008113
OC(=O)C(C1c2n(C=C1)ccc2)C	PC-id_67856022,SCHEMBL9458812	177.2	KPSDIAHHLKDOKH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008114
OC(=O)/C=C/1CC(n2c1ccc2)C	PC-id_83635949	177.2	KJAWWTMBDRSITF-SOFGYWHQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008115
OC(=O)CCc1ccc2n1CC=C2	PC-id_19784726,SCHEMBL9458807	177.2	PDFRFUXCLMZLLG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008116
OC(=O)/C=C/c1n2CCCc2cc1	PC-id_15584423	177.2	LGMQMZJTUVBDHE-AATRIKPKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008117
C1Cc2nc(nn2C1)C(=O)C1CC1	SCHEMBL20646022,PC-id_137412601	177.203	ZQIDRNHMMGPZKM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008118
c1(C#N)c2COCc2nn1C(C)C	EMOLS-id_324401244,PC-id_105436860,MCULE-2745797722	177.203	YNCCOXICLZPLCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008119
CC1(C=Cc2c1[nH]nc2C(=O)N)C	PC-id_91332102	177.203	VGWVWYKVWQUZQO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008120
CC=CC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_303203580	177.203	JLKGTYCERLHGER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008121
C=CCC(=O)N1Cc2c(C1)cn[nH]2	MCULE-3080072847,EMOLS-id_107622312	177.203	SWWUWVALBBNZBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008122
CC=CC(=O)N1CCn2c1ccn2	EMOLS-id_114436156	177.203	NSPHDSHNAXNWFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008123
C=CC(=O)N1Cc2cnn(C)c2C1	ZINC22_585124401,MCULE-8204378492	177.203	BLPWTKNHVXNSEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008124
C#CCONC1CCn2c1ncc2	EMOLS-id_265314470	177.203	KJTVKKYEPRNYLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008125
C=CC(=O)NC1CCn2c1ncc2	MCULE-5584978999	177.203	QMQQUGDWTJQMHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008126
C=CC(=O)N[C@@H]1Cc2cncn2C1	ZINC22_863970854	177.203	WSHNKCHZHMXVDU-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008127
C=CC(=O)N[C@H]1Cc2cncn2C1	ZINC22_863970855	177.203	WSHNKCHZHMXVDU-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008128
C=CC(=O)N[C@@H]1CCn2ccnc12	ZINC22_1331856217	177.203	QMQQUGDWTJQMHO-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008129
C=CC(=O)N[C@H]1CCn2ccnc12	ZINC22_1331856228	177.203	QMQQUGDWTJQMHO-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008130
CC(N=C=O)c1n[nH]c2CCCc12	EMOLS-id_313890386,MCULE-9308143333	177.203	FHMKGPJIIMJTPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008131
CC(=O)NN=C1CCn2c1ccc2	EMOLS-id_114436027	177.203	LKJCAZUJVVIVPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008132
CN(C)C(=O)n1cc2CN=Cc2c1	PC-id_91506835	177.203	VCVWNIIZFOBNNT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008133
N#Cc1nn(c2c1COC2)C(C)C	PC-id_105436855	177.203	NOABLOOZDIEDJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008134
N#CCCn1nc2c(c1O)CCC2	EMOLS-id_41629136	177.203	MBYXVYVMHJOTII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008135
N#CC(n1nc2c(c1O)CCC2)C	SCHEMBL11619533	177.203	HVUAAWDCEHRBIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008136
O=c1n([nH]c2c1CCC2)C(C)C#N	PC-id_20368627	177.203	GDZSRVLOAZEBLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008137
O=c1n([nH]c2c1CCC2)CCC#N	PC-id_66022714	177.203	LPXZBEKVIBXVFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008138
O=C(c1n[nH]c2c1CCC2)N1CC1	EMOLS-id_97227892	177.203	DUXUSYORDVSHQM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008139
OC(CC#N)c1n[nH]c2CCCc12	MCULE-8087863827,EMOLS-id_313878866	177.203	HWVJJFHZAPMTGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008140
OCCn1nc(c2c1CCC2)C#N	PC-id_39236717	177.203	OGXCHTLBANFHBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008141
O=C(N1Cc2c(C1)c[nH]n2)C1CC1	MCULE-2432407358,EMOLS-id_97209960	177.203	GYDGNCBUEIMOMH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008142
O=C(N1CCn2c1ccn2)C1CC1	EMOLS-id_114436554	177.203	SZAWHIFFTGCBFC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008143
O=C=NCCc1n[nH]c2CCCc12	MCULE-4150534218,EMOLS-id_313890642	177.203	NQFNQUIIEMODAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008144
Cn1nc(CN=[N+]=[N-])c2CCCc12	EMOLS-id_337178834	177.206	OZBXNCCSJSFNJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008145
NC(=N)NN=C1CCn2c1ccc2	EMOLS-id_303178433	177.206	FCLXMDFIULAQII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008146
N#N=NCCc1c2c(CCC2)[nH]n1	MCULE-1714516139,EMOLS-id_313496247,EMOLS-id_70118710,PC-id_121214361	177.206	QYJWLSIMBDFNLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008147
O=C1[N+](=Cc2n1c(cc2)C)C(C)C	PC-id_20783508	177.223	MRFGQZVCWAJBEE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008148
CC1Cc2c(C1NC1CC1)cco2	PC-id_112714492	177.243	SWIPOBMSNREJFR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008149
CC1Cc2c(C1NC1CC1)occ2	PC-id_112714490	177.243	NCQONBQHICLRMC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008150
Cc1c(C)c(C(=O)C)n2CCCc12	PC-id_6429128,HMDB0040020,CNP0160653	177.243	DFFVSJCTDBAPFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008151
Cc1c(C)n2CCCc2c1C(=O)C	CNP0250218,HMDB0040027,PC-id_86127323	177.243	BJTRWJSVQKOMJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008152
Cc1[nH]c(c2c1C(=O)CC2(C)C)C	SCHEMBL16449704	177.243	VETADONBGYGZFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008153
C/C(=C
/CCc2c1ocn2)/CCC	PC-id_143341011	177.243	WWQYICQOIMJFBA-CMDGGOBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008154
CCc1cc(C(=O)C)c2CCCn12	PC-id_86127017,CNP0002565,HMDB0040019	177.243	ZBWDGLUDPXAPPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008155
CC(Cc1ccc2n1CCC2=O)C	SCHEMBL14983917,PC-id_89594265	177.243	WTERNEVPXIIFDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008156
CCCC(=O)c1ccc2CCCn12	PC-id_86127302,CNP0032728,HMDB0040014	177.243	UDBBNHVKMDHCPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008157
CCC(=O)c1c(C)cc2CCCn12	HMDB0040018,PC-id_45116142,CNP0410438	177.243	GYZWTVCWHXRANZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008158
CCC(=O)c1cc(C)c2CCCn12	PC-id_71331637,HMDB0040017,CNP0022968	177.243	COEUIAKZDWIIQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008159
CC(n1cc2c(c1)CC(C2=O)C)C	PC-id_112714499	177.243	YBQYLRKJAUTLPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008160
CC(=O)Cc1cc2n(c1C)CCC2	PC-id_97703753	177.243	MIPYXOALKCZYML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008161
CC(=O)Cc1cc(c2n1CCC2)C	PC-id_97703755	177.243	JEASOMILMXKADO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008162
CC(=O)Cc1c(C)cc2n1CCC2	PC-id_97703754	177.243	ZOTYLXFLTVMJQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008163
CC(=O)Cc1cn(c2c1CCC2)C	PC-id_97703758	177.243	FRSOKCTYQAWION-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008164
C=COCCn1ccc2c1CCC2	PC-id_122210752	177.243	ZROSKPZLYGBXME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008165
o1c2c(C(CC3(N)CC3)CC2)cc1	PC-id_83683250	177.243	VMSIVFWXMVIBHZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008166
o1c2c(C(NC3CC3)CC2)cc1C	PC-id_83906218	177.243	YNHRUKPYUNWHQU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008167
o1c2C(NC3CC3)CCc2cc1C	PC-id_83906215	177.243	ZRXCXCSIQBKWFL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008168
o1cc2CC(C)C(NC3CC3)c2c1	MCULE-4920795005,PC-id_112714491	177.243	RCXGVPZLFLNYLX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008169
O=C1c2c(C(C)(C)C)c[nH]c2CC1	SCHEMBL3822978,PC-id_68802863	177.243	VTOVDQRJCHVISZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008170
O=C1c2c(n(c(C(C)C)c2)C)CC1	PC-id_83816707	177.243	CSLOIKNZEOBPTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008171
O=C1c2c([nH]c(C(C)(C)C)c2)CC1	SCHEMBL17268375,PC-id_83816708	177.243	TUAKQKBLAJMMIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008172
O=C1CC(n2c1ccc2)CC(C)C	PC-id_83635978	177.243	QRSVBCQTKTXTOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008173
O=C1CCn2c1cc(c2)C(C)(C)C	SCHEMBL18418909	177.243	ZWYLOJXHZOVCHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008174
O=C(Cc1c2c([nH]c1C)CCC2)C	PC-id_84767448	177.243	YGQGCOUVACZSEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008175
c12C(N)CCc1n(nc2)CC1CC1	MCULE-3962608870,EMOLS-id_46440447,PC-id_102548652	177.246	CKKZVXDRHWFPFL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008176
C1Cc2c(C1)nc([nH]2)CNC1CC1	PC-id_63927984,EMOLS-id_40130531	177.246	KEJOSLGJPUPZIK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008177
C1Cc2c(C1)[nH]nc2CNC1CC1	PC-id_61395230,EMOLS-id_38281107	177.246	RMKMVHJAOZUFPF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008178
C1CC(C1)NC1CCn2c1ncc2	EMOLS-id_96772037	177.246	DMQDHLINBIZBET-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-008179
c1(CC(=N)N)c(C)cc2CCCn12	MCULE-9474736650	177.246	PORSWJUQKSTMOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008180
c1cn2c(n1)C(CC2)NCC1CC1	EMOLS-id_265320192	177.246	PNJNODNSHXHJST-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008181
CC1CC1NC1CCn2c1ncc2	EMOLS-id_96772034	177.246	WLUQXVRMZRYLBB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008182
CC1Cc2c(C1NC1CC1)cn[nH]2	PC-id_112714508	177.246	BFUVRIFDJSXPJN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008183
CC1CCc2c1n[nH]c2NC1CC1	PC-id_65046560,EMOLS-id_40959492	177.246	JORXCSODVPXZAC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008184
CC1CC(c2n1ccn2)NC1CC1	EMOLS-id_96772050	177.246	UMGPXKSORGLQSS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008185
C(C1CNC1)c1n[nH]c2CCCc12	EMOLS-id_313881691,MCULE-5733955157	177.246	AISCPSLGVAWEFU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-008186
Cc1[nH]nc2c1CN(C2)CC1CC1	PC-id_118491736,SCHEMBL17232771	177.246	IJKTZBPJCGDIRI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008187
CC=CCNC1CCn2c1ncc2	EMOLS-id_107346905	177.246	OZTKVUOVBHXRDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008188
CC(=C)CNC1CCn2c1ncc2	EMOLS-id_194662673	177.246	JVLQFWHWZSQTBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008189
CCC=Nc1c2CCCc2nn1C	PC-id_90169202	177.246	RHQYUXCAXDLHCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008190
C=CCNC1CC(n2c1ncc2)C	EMOLS-id_265319663	177.246	ZRVRFVJJGMDEBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008191
C=CC(NC1CCn2c1ncc2)C	EMOLS-id_265319766	177.246	ILOPRGDVPXTLKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008192
CC/C=N/c1n(C)nc2c1CCC2	SCHEMBL15732052	177.246	RHQYUXCAXDLHCC-YRNVUSSQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008193
CCCNN=C1CCn2c1ccc2	EMOLS-id_304187419	177.246	PJNJXPPIOQQVDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008194
CC(N)C=Cc1n[nH]c2CCCc12	EMOLS-id_313868369	177.246	VYOFEMSYGFSJST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008195
CCN(N=C1CCn2c1ccc2)C	EMOLS-id_114438146	177.246	NWAVQHMCPMUVGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008196
C/N=C/c1nn(c2c1CCC2)CC	SCHEMBL18853752	177.246	XFXBMBVHVDTGPO-YRNVUSSQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008197
n12CCCc1cc(CC(=N)N)c2C	MCULE-7466127587	177.246	ZANGFGAZTUBVDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008198
n12ncnc1C(=C)C(C2CC)CC	PC-id_12259025	177.246	IWUPGSJOQDRSAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008199
n12ncnc1C(=C)C(CCCC)C2	PC-id_12259015	177.246	KIZIEZAAEOCGSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008200
n12ncnc1C(=C)[C@H]([C@@H]2CC)CC	PC-id_21853047	177.246	IWUPGSJOQDRSAZ-BDAKNGLRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008201
n12ncnc1C(=C)[C@@H]([C@@H]2CC)CC	PC-id_21853048	177.246	IWUPGSJOQDRSAZ-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008202
N(C1CC1)C1CCc2nn(cc12)C	PC-id_83906227	177.246	DUQYZRNQTKKCCN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008203
N(C1CC1)C1CCc2n(ncc12)C	PC-id_83906228	177.246	APPSGDQOMSMSQE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008204
N(C1CC1)C1CCc2n[nH]c(c12)C	PC-id_83906225	177.246	CYIOWASHDYNAAE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008205
N(C1CC1)c1n(nc2c1CCC2)C	PC-id_83863249	177.246	WAMOTRFOKXOTIY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008206
NC1(Cc2n[nH]c3CCCc23)CC1	MCULE-2744387334,EMOLS-id_313881945	177.246	FWSJTPFUSAYOKO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008207
NC(c1ccn2c1NCC2)C1CC1	PC-id_112489454	177.246	XSDDTFDTSSLFAL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008208
NCCC(=C)c1n[nH]c2CCCc12	EMOLS-id_313871441,MCULE-4219439548	177.246	UNKUKAJCARHQFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008209
N[C@H]1CCc2c1cnn2CC1CC1	ZINC22_95098075,PC-id_97181755	177.246	CKKZVXDRHWFPFL-VIFPVBQESA-N	00100010100000000001000010000000000000000000000000000000	25-01-008210
N[C@@H]1CCc2c1cnn2CC1CC1	ZINC22_95098076,PC-id_97181756	177.246	CKKZVXDRHWFPFL-SECBINFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008211
[nH]1nc(CC2CC2)c2CC(N)Cc12	PC-id_82410298	177.246	RWCOUSWCKXQFMY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008212
CC1=C(C)c2c(C1C)n(c[n+]2C)C	PC-id_101766391	177.266	HOWXGZOQKOQBHB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008213
C#CC(c1sc2c(c1)CCC2)N	PC-id_104995426,EMOLS-id_96561592	177.266	GEDNPGSQKRLCOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008214
CC(C#N)c1cc2CCCc2s1	MCULE-3406796270,EMOLS-id_313850303	177.266	WSJNNDOBCHBROT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008215
C#CCNC1CCc2c1scc2	EMOLS-id_96360421	177.266	SGJLIGSNAQJRCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008216
CC([N+]#[C-])c1cc2CCCc2s1	EMOLS-id_313839286	177.266	UKSXPKMNNHMZGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008217
[C-]#[N+]CCc1cc2CCCc2s1	PC-id_83482090,EMOLS-id_313841080	177.266	OUFOYBRHZNBQFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008218
N#CCCc1cc2CCCc2s1	MCULE-7674235649,EMOLS-id_313850559	177.266	YIBGBJBPBBXYJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008219
s1c2c(CCC2)c(c1CC#N)C	PC-id_84767502	177.266	DMDDRNHOYBOMCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008220
s1c2c(CCC2)c(c1C[N+]#[C-])C	PC-id_83482091	177.266	LOHCFRWFPKAQFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008221
s1c(c2CCCc2c1)CCC#N	PC-id_82410257	177.266	PIEBDADZACIIGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008222
S=C1c2n(ccc2CCC)C=C1	PC-id_22217646	177.266	KOAHYJQVWIZXHB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008223
O=c1sc2c(s1)NCS2	PC-id_139600245	177.268	BMFBCYFYBBTOGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008224
CCCc1c2C(CCn2cc1)CC	PC-id_89706386,SCHEMBL15131388	177.286	AQPIQRAVGXGUJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008225
CC(Cn1cc2c(c1)CC(C2)C)C	PC-id_58834648,SCHEMBL13291945	177.286	CDUUYJDMFCAOCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008226
n12CC(C(c1ccc2)(C)C)C(C)C	PC-id_10931986	177.286	BFOKCAWZLCDJDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008227
n12c(CCC1)cc(c2)CCCCC	PC-id_15720827	177.286	SPPHTRZTBRIVFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008228
n12CCCc1ccc2CCCCC	PC-id_86079205	177.286	JNEHFZRORZKFLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008229
n12CC(Cc1cc(c2)C)CCCC	PC-id_9989789	177.286	KJXZAGYBVMYCSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008230
n12c(CCC1)c(CCCC)cc2C	PC-id_11240792	177.286	DJICSLUXSYRIMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008231
n12CC(C(C)(C)C)Cc1cc(c2)C	PC-id_10080934	177.286	MOKDDVFWDFOAGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008232
[Si](C1c2n(C=C1)ccc2)(C)(C)C	PC-id_15419979	177.318	SLEOTXSVQOWMRJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008233
[Si](C1n2c(C=C1)ccc2)(C)(C)C	PC-id_15419978	177.318	BQBYNWGXRPPMQF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008234
c1c2C(NSc2cs1)Cl	PC-id_91466742	177.675	ZXISFIPXUQJRDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008235
ClC1NSc2c1ccs2	SCHEMBL5946060,PC-id_21962708	177.675	VCBUYGJEWKTTTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008236
[B]/C=C/1C=C2C(=CC(=O)S2)S1	PC-id_164129255	177.972	AGLLXJVYYBNQKJ-ONEGZZNKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008237
[B]C1=C2C(=C(N1)O)C(=S)NC2=O	PC-id_154525751	178.001	LWNSIPIMPGUOKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008238
C1C2=C(C=N1)SC(=C2)CN=[N+]=[N-]	PC-id_161677930	178.031	LKVVJTMGAMEUAM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008239
CC1Cc2c(C1=O)sc(c2B)C	SCHEMBL14496084	178.059	CNZRBDZHWWMMSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008240
CCOC(=O)C1=C2CC=CN2N=C1	PC-id_153805131	178.074	DNYBNJTUHOVSPL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008241
CC1(C2=C(C(=N1)C=O)C(=NN2)N)C	PC-id_160584901	178.085	XKFYUTFJOJTANZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008242
CCC[C@@H]1Cc2c(C1=O)occ2C	PC-id_163887458	178.099	PYQJCPMUFIVQJF-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008243
CCC1CCN2C1=C(C=C2)C(=O)N	PC-id_152564720	178.111	YQFWGUQWMZBWPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008244
c1(C(F)(F)F)[nH]nc2COCc12	MCULE-5467181442,EMOLS-id_317872373	178.112	CCACEBDSLLIUCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008245
FC(F)(F)c1nc2CNCc2o1	MCULE-8216851455,EMOLS-id_48664069,PC-id_72698701	178.112	ZOECXRXMERRBRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008246
FC(F)(F)c1onc2c1CNC2	PC-id_83846350	178.112	AEFSUABHQXSCPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008247
C1c2nnc(n2CN1)C(F)(F)F	PC-id_91551534	178.115	ZWVGGUIXJSYDAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008248
C1Cn2c(nc(n2)C(F)(F)F)N1	PC-id_136316393	178.115	FINSXGWILOZVCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008249
C1NNc2cc(nn12)C(F)(F)F	PC-id_136625713	178.115	VNVLDYCQGIELCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008250
C1C(CN1)CN2CC3=C(C2)NN=C3	PC-id_151660519	178.122	QWKWNYVFEIQWAI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-008251
CCC1=NC(C2=C1C(=NN2)N)(C)C	PC-id_161199451	178.122	GJGLZPPJSVEIBE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008252
Nc1noc2c1OS(=O)(=O)O2	PC-id_140067584	178.123	RTTUAGHRCDWCTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008253
On1nc2c(c1)OS(=O)(=O)O2	PC-id_140407917	178.123	QYBKYUQWKVQKGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008254
FC(F)(F)c1n[nH]c2c1C[NH2+]C2	PC-id_51606527	178.135	FIVXVFWOXHQVFJ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-008255
c1(C=O)[nH]c(C=O)c2CNC(=O)c12	MCULE-7761352878,PC-id_82599663	178.145	NAOXHCJWEPEKAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008256
CC1CCN2C1=C(C=N2)C(C)(C)C	PC-id_164938839	178.147	KYCOEQMEUHNING-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008257
CCC(C)C1=NN(C2=C1CCC2)C	PC-id_155238899	178.147	XTTQGUJURZFGFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008258
CC(C)(C)C1=NN(C2=C1CCC2)C	PC-id_162142457	178.147	PCGJJCYMKQJGAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008259
CCC(C)(C)C1=NC2=C(N1)CCC2	PC-id_155160367	178.147	IRNMUVOYVDEIND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008260
CC(C)(C)N1C=C2CN(CC2=C1)C	PC-id_155096384	178.147	QKCSLHXKXHFZEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008261
CC(C)(C)N1Cc2cn(cc2C1)C	PC-id_164063598	178.147	SQBKFKLGHBGJAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008262
CCN1C2=C(CCC2)C(=N1)C(C)C	PC-id_160612980	178.147	LVUGIXZCNBUBGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008263
CCN1C=C2C[C@@H](CC2=N1)C(C)C	PC-id_153355747	178.147	LOPOCROHTNFBNX-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-008264
s1c2c(C(=C([N+]#N)C2=O)[O-])cc1	PC-id_10976046	178.168	DWWDBUOJIBIJAN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008265
Cc1cc2c(o1)C(=C(C)C)C(=O)O2	SCHEMBL17175244,PC-id_118446315	178.185	IZUUEYKFFKFEIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008266
o1c2c(CC(=C2)C(=O)OCC)cc1	PC-id_59163093	178.185	YXKKVPSWHMOYGV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008267
Cc1c2c(c(n1C)O)C(=NC2=O)C	PC-id_135733746	178.188	ABIFFVYNNXZZRA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008268
CCc1c2c(c([nH]1)O)C(=NC2=O)C	PC-id_136127751	178.188	OPDCAWSDPURDOD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008269
CCC1=c2c(=NC1=O)c(c([nH]2)O)C	PC-id_136991180	178.188	CDBWOJNBVGOIRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008270
CCC1=NC(=O)c2c1c(O)[nH]c2C	PC-id_145846315	178.188	SXHQNNCBLZTHDH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008271
CCC1=NC(=O)n2c1c(cc2O)C	PC-id_137286237	178.188	DJRSJUNUEIJHAN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008272
CCN1C(=O)c2c(C1=O)cn(c2)C	SCHEMBL13632914,PC-id_89133587	178.188	NDWAMLWITQUZMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008273
CCN1C(=O)c2c(C1=O)n(cc2)C	PC-id_89365378,SCHEMBL14544846	178.188	FDGHDLVCHRHOTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008274
CCOC(=O)c1[nH]nc2c1CC=C2	SCHEMBL5083078,PC-id_69304925	178.188	ARCQSBHQBYKAER-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008275
CCOC(=O)c1nn2C=CCc2c1	PC-id_90841931	178.188	DZNMDDOKQCFSQC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008276
CC(=O)O/N=C
/CCn2c1ccc2	PC-id_45034912,TIMTEC348094	178.188	ZLWBAULFLFZYAO-NTMALXAHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008277
COC(=O)c1nc(c2n1CC=C2)C	PC-id_101058757	178.188	IIVGGEHDXORUTO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008278
COC(=O)C=C1CCn2c1ncc2	EMOLS-id_114440127	178.188	ZXFIZHVUDQSNJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008279
n1[nH]c(C(=O)OCC)c2c1CC=C2	PC-id_69305569,SCHEMBL5085607,MCULE-5403342618	178.188	YPKUAMRKKFDJCN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008280
NC(=O)CC1Cn2c(C1=O)ccc2	PC-id_45034916,TIMTEC52118	178.188	QLIFHSQGXAQLNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008281
NC(=O)C[C@H]1Cn2c(C1=O)ccc2	PC-id_93531897	178.188	QLIFHSQGXAQLNQ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-008282
NC(=O)C[C@@H]1Cn2c(C1=O)ccc2	PC-id_93531898	178.188	QLIFHSQGXAQLNQ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008283
O=C1C(Cn2nc(cc12)C(=O)C)C	PC-id_20744118	178.188	LAMSOYBWCJHUBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008284
Oc1n(c(=O)n2c1CCC2)CC#C	PC-id_54565933	178.188	ZTUVQBKPGVFABE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008285
O=C(N1Cc2c(C1)c[nH]c2C=O)C	PC-id_82410115	178.188	JAWNCWWEDLIWDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008286
OC(=O)C(=C1CCn2c1ncc2)C	EMOLS-id_303185103	178.188	ZDGSXMHHVBJEON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008287
OC(=O)C=C1CC(n2c1ncc2)C	EMOLS-id_303186368	178.188	UBDWLMGUQPAKSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008288
OC(=O)C(=C)c1n[nH]c2CCCc12	MCULE-2438209752,EMOLS-id_313878610	178.188	WVEKLVNWSMAMFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008289
OC(=O)C=Cc1n[nH]c2CCCc12	MCULE-8987027559,EMOLS-id_313914194	178.188	YPFMHGOUCLZRGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008290
O(N=C1CCn2c1ccc2)C(=O)C	PC-id_75086306	178.188	ZLWBAULFLFZYAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008291
C1Cn2c(c(cn2)C(CC#N)O)N1	PC-id_136409307,SCHEMBL4201128	178.191	HEHIZXFQRKBVTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008292
CCn1c(C#N)nc2c1CN(C2)O	SCHEMBL17380115,PC-id_118613859	178.191	BNQRRFDRMYRKEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008293
NC(=O)N/N=C/1CCn2c1ccc2	CoCoCo_5445787,LI_137366,NSC120480,PC-id_5847058	178.191	BVOLUTNLKJMNSA-UXBLZVDNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008294
NC(=O)N/N=C
/CCn2c1ccc2	CoCoCo_5445788,PC-id_5381639	178.191	BVOLUTNLKJMNSA-POHAHGRESA-N	00000010100000000000000010000000000000000000000000000000	25-01-008295
NC(=O)NN=C1CCn2c1ccc2	PC-id_274433,EMOLS-id_42752564	178.191	BVOLUTNLKJMNSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008296
NC(=N)NN=C1CCn2c1ncc2	EMOLS-id_303194257	178.194	PHLBMQZOCPPCBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008297
N=NC(=N)c1nc2c(n1C)CNC2	PC-id_144979487	178.194	MCLCXKSDTBZABQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008298
FCCn1nc(C#C)c2CCCc12	MCULE-5245023647,EMOLS-id_324401502	178.206	CKBQTDXFWKWLTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008299
O=C1[N+](=Cc2n1cnc2)C(CC)C	PC-id_20783554	178.211	HHGJYGOVWJIXJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008300
s1c2c(c(c1)CC#N)C(=O)NC2	PC-id_82410050	178.211	VMMOHQTYUMLHPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008301
Fc1c(F)sc2c1CSC2	PC-id_118537058,SCHEMBL17289264	178.223	WDTZFEHJPOGYKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008302
c1(C=O)c(CCC)oc2CCCc12	MCULE-3507391375,PC-id_83610347	178.228	QDGFVHSJSISKNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008303
CC1Cc2c(C1=O)cc(o2)C(C)C	PC-id_112714522	178.228	MEXAOVAOGKKPEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008304
CC1Cc2c(C1=O)oc(c2)C(C)C	PC-id_112714520	178.228	LIKWQUIJTRYHRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008305
o1c2c(CCC2)c(c1C(C)C)C=O	PC-id_83610275	178.228	DBDXXSZBQRSBGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008306
o1c2c(CCC2)c(c1CC)C(=O)C	PC-id_83610264	178.228	JZALZYUQGOMTCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008307
o1c2c(CCC2)c(c1C)CC(=O)C	PC-id_84767651	178.228	NNDWKGAWVITFSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008308
o1c(C(C)(C)C)cc2c1CCC2=O	PC-id_83816758	178.228	LJEUNZGTDCCHDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008309
c12C(=O)CCc1nc(C(C)(C)C)[nH]2	SCHEMBL12199315,SCHEMBL2511584,MCULE-8605038031,PC-id_58460205,EMOLS-id_317690764	178.231	BDCQFDKEVJWUFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008310
C1Cc2c(C1)c(no2)CNC1CC1	PC-id_80462384,EMOLS-id_194631781	178.231	KNZHTPQXFWZINP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008311
C1Cc2c(C1)n(c(c2)C=O)CCN	SCHEMBL20281221,PC-id_135134850	178.231	RLSJSVHURCMFGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008312
CC1Cc2c(C1NC1CC1)cno2	PC-id_112714535	178.231	YGPWAEFBPBFUOU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008313
CC1Cc2c(C1=O)c(n[nH]2)C(C)C	PC-id_112714546	178.231	VBSBTYVIRRLPHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008314
CC1NCc2c1c(C)c([nH]2)C(=O)C	PC-id_112489421	178.231	IZWDGZBGIYZHIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008315
CCc1nn(c2c1CCC2)C(=O)C	SCHEMBL20866458,PC-id_138514730	178.231	LNQUYLNZMASSJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008316
CC(C=C1CC(n2c1ncc2)C)O	EMOLS-id_304192787	178.231	FVHJUXOAPOFEHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008317
CC(C)(C)C1CC(=O)c2ccnn12	EMOLS-id_336481638	178.231	MOTFLRNYTBCRCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008318
CC(C)CC1CC(=O)c2ccnn12	EMOLS-id_336565782	178.231	WFOWZVXDIBFETG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008319
CC(C)CN1Cc2cccn2C1=O	PC-id_90831059	178.231	JWIHPHBKOOBIFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008320
CC(C)(C)n1ncc2C(=O)CCc12	PC-id_21859116,MCULE-1520344765,EMOLS-id_46440453	178.231	NOOAXTUBWKKEQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008321
CCCC(=O)c1nn2c(c1)CCC2	SCHEMBL20228734,PC-id_134577355	178.231	RBBXDCPKOZNKTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008322
CC(C)C(=O)c1nn2CCCc2c1	SCHEMBL19845928,PC-id_134237226	178.231	OUHAQVOFDVLTQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008323
CC(C)(C=O)c1n[nH]c2CCCc12	MCULE-8233197370,EMOLS-id_313880924	178.231	IJDRIHARCSVIEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008324
CC(C)n1nc2c(c1C=O)CCC2	PC-id_112711151,EMOLS-id_178071729,MCULE-1466940903,ZINC22_107300526	178.231	NRJBDVAMLBGWCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008325
CC(C)n1nc(C)c2CC(=O)Cc12	EMOLS-id_337958940	178.231	YDCUTWJXXQSZJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008326
CCC(=O)c1nn2c(c1)[C@H](CC2)C	PC-id_137412533,SCHEMBL20645944	178.231	BAMALIQYHKOQPK-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008327
CCn1nc2CCC(C)c2c1C=O	MCULE-6882266005,EMOLS-id_330989244	178.231	CLTBTVXVSFAGSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008328
CCn1nc(C=O)c2C(C)CCc12	EMOLS-id_331004156,MCULE-5043981842	178.231	DYCZUDMSZJHXCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008329
CCNC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_96833979	178.231	AUIMKAOJNHEJLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008330
CC(=O)c1c(C)c2CNCn2c1C	CoCoCo_5353420,NSC48466,LI_29184,PC-id_241236	178.231	OTTJNXLUEGXOTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008331
CC(=O)Cc1c(C)nc2n1CCC2	EMOLS-id_313593262,PC-id_112545542	178.231	GYUFHXLHGKRJHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008332
CC(=O)Cc1nc2n(c1C)CCC2	PC-id_96742363	178.231	GSKLSHPADDPEJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008333
CC(=O)Cc1n(C)nc2c1CCC2	EMOLS-id_313597613,PC-id_84656548	178.231	QLALNGICZWYYKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008334
CC(=O)CCc1n[nH]c2CCCc12	EMOLS-id_313869138,MCULE-6077559214,PC-id_83858873	178.231	UZPZABVJNZHHBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008335
C(Nc1noc2CCCc12)C1CC1	EMOLS-id_207622569,MCULE-3226090676	178.231	ARPMLOOUNCFFPA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008336
CN(CC1Cn2c(C1=O)ccc2)C	SCHEMBL8829549,PC-id_10219668	178.231	RSHGXSAMIAUKNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008337
CNC(=O)c1cn(c2c1CCC2)C	PC-id_145769961	178.231	QTEWNOCVGBZKID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008338
CN(C(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_97227932	178.231	ZGIHNWQPUPSTAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008339
NCC(=O)c1c(C)cc2n1CCC2	PC-id_96629554	178.231	FXTQQCYDTMKPKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008340
o1c2c(CCC2)c(c1CC)C(=N)N	PC-id_83610209	178.231	RCYHBRKLPMYVMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008341
o1nc(c2C(NC3CC3)CCc12)C	PC-id_83906262	178.231	COVZPFGKHKMQBQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008342
O=C1c2c(n(nc2CC1)C)C(C)C	PC-id_83906263	178.231	SDBOPXWLANVJBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008343
O=C1c2c(n(nc2C)C(C)C)CC1	PC-id_83861261	178.231	HWWHWBPJAVCYEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008344
O=C1c2c(n(nc2C(C)C)C)CC1	PC-id_83861306	178.231	QHXCADROQREEHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008345
O=C1c2c(n[nH]c2CC1)C(C)(C)C	PC-id_83861317	178.231	LOBANMZMUXEUEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008346
OC1(Cc2n[nH]c3CCCc23)CC1	MCULE-8981884441,EMOLS-id_313870673	178.231	VASAMINMZMXKPJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008347
O=C1n2cccc2CN1C(C)(C)C	PC-id_59473684,SCHEMBL803652	178.231	NDRCBXQKSRRYPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008348
O=C1Nc2n(C1C(C)(C)C)ccc2	PC-id_59825856,SCHEMBL14030363	178.231	CVDXKTARQBXDAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008349
O=C(c1c2c([nH]c1C)CCC2)CN	PC-id_84767674	178.231	SLUJICAYXNTUMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008350
O=C(c1n(c2c(CNC2)c1C)C)C	PC-id_82409963	178.231	HOWXHIQDKIGLRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008351
OC(c1nn2c(c1)CCC2)C1CC1	PC-id_142555686	178.231	GVYMQCWUHMWINA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008352
O=Cc1nn(c2c1CCC2)C(C)C	PC-id_112711168	178.231	SULFFSYIQLYSLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008353
O=C(Cc1n2c(CCC2)c(n1)C)C	PC-id_82653964	178.231	ZEELFWXZVPBVLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008354
O=C(Cc1nc(n2c1CCC2)C)C	PC-id_82599835	178.231	PCLCNMSPCYVKGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008355
O=C(Cc1nn(c2c1CCC2)C)C	PC-id_84656547	178.231	FMZBFGROCWJVPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008356
O=C(C(c1n[nH]c2c1CCC2)C)C	PC-id_83858870	178.231	JVOAXAVOIDZAPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008357
O=C(Cc1n[nH]c2c1CCC2)CC	PC-id_83858876	178.231	ICGVNUFPFGBRIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008358
O=CCCCc1n[nH]c2CCCc12	EMOLS-id_313868626,MCULE-8972240455	178.231	CBOWOPYVKQMICL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008359
O[C@@H](c1nn2c(c1)CCC2)C1CC1	SCHEMBL20909588,PC-id_138553559	178.231	GVYMQCWUHMWINA-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008360
O=C(N(C)C)C1CCn2c1ccc2	PC-id_20708722	178.231	NVHFSDFCVPNDET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008361
c1(CC(=N)N)c(C)n2c(CCC2)n1	MCULE-8611088081	178.234	KGRGWVLGXZEDLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008362
C1Cn2c(C1)nnc2CNC1CC1	PC-id_60836391,EMOLS-id_37876908	178.234	GWQOEOJLOVMEOA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008363
c1(C(=N)N)c2CCCc2nn1CC	EMOLS-id_70118702,PC-id_121214357,MCULE-4700291239	178.234	IRXSZJFMNKQLCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008364
CCC1N=Nc2n1nc(c2)C(C)C	SCHEMBL2264804,PC-id_67340096	178.234	MORCYXNMCMOZTO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008365
CCCCCC1N=Nc2n1ncc2	PC-id_67850309,SCHEMBL9431314	178.234	QZUJFLQDTCXMQC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008366
CCn1nc2c(c1N)C=NC2(C)C	PC-id_140052493	178.234	DUQRJHUVYSCTFI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008367
C(Nn1nnc2CCCc12)C1CC1	MCULE-7496123223,EMOLS-id_208147375	178.234	BIIQWNJEYPNNHM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008368
n12c(CCC1)c(nc2C)CC(=N)N	PC-id_83676340	178.234	YZDGUAMBALZBEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008369
n12c(CCC1)c(nc2CC(=N)N)C	PC-id_83676869	178.234	JVVHSJGGQBMNBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008370
n12CCCc1nnc2CC1CNC1	MCULE-6920953546,PC-id_64609812	178.234	GLXDXKZGJDBBLZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-008371
n12c(nnc1CCC2)C(N)C1CC1	PC-id_62696502,EMOLS-id_39299769	178.234	ZPGXBKYNNHZSEE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008372
N(C1CC1)c1n(nc2c1CNC2)C	PC-id_84656630	178.234	QXBWAGIHVPULQM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008373
NC1(CC1)Cc1nnc2n1CCC2	EMOLS-id_96969859	178.234	XCCMUBNOSOFYRI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008374
C#CC(c1sc2c(c1)CCC2)O	EMOLS-id_107216838,PC-id_115811015	178.251	GHZZPQAZGVABPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008375
C=CC(=O)c1cc2CCCc2s1	EMOLS-id_96556475	178.251	HYQUNGHETUHPTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008376
O=CC=Cc1cc2CCCc2s1	MCULE-9278779524,EMOLS-id_313792717	178.251	WWVWLSMBJGUZKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008377
c1(C#N)c2CCCc2sc1NC	PC-id_63089333,MCULE-7831895828,EMOLS-id_39587433	178.254	OXAQMVMOZUPBQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008378
C#CCSc1[nH]c2c(n1)CCC2	EMOLS-id_97147994	178.254	YAPCWVOAWWFAAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008379
n12N=C(Cc1[n+](cc2C(C)C)C)C	PC-id_22944478	178.254	YVWXNTKBCXTLMC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008380
N#Cc1c(N)sc2c1C(C)CC2	EMOLS-id_40959134,PC-id_65047015	178.254	JKTBRTIXYDRUBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008381
N#CNCc1sc2c(c1)CCC2	PC-id_62482666,EMOLS-id_39102796	178.254	MVRAZYFUPVJXLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008382
s1c2c(C(N)(CC2)CC#N)cc1	PC-id_83683382	178.254	ISUAGNJXMSFEAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008383
s1c(c2CCNc2c1)CCC#N	PC-id_82409876	178.254	RPWNJKOGXJDYPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008384
S1Cn2c(c(c(c2C)C#N)C)C1	PC-id_86040836	178.254	GQNZKFNZTOVUNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008385
S(c1cc2n(CCC2C#N)c1)C	PC-id_14570919	178.254	BESCDQHASKKBQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008386
S(c1n2CCC(c2cc1)C#N)C	PC-id_13687494	178.254	YRODFSBERDQPTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008387
O=s1nc2c(n1)SCS2	SCHEMBL1880287	178.256	LCTLGESQIOJDSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008388
CCC1Cc2c(C1C(C)C)cco2	SCHEMBL21350952,PC-id_139483845	178.271	JJUIPFAAIMBHLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008389
C[C@H]1c2ccoc2CC1C(C)(C)C	SCHEMBL21350681,PC-id_139483592	178.271	LONKJHNTDIRYBP-PEHGTWAWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008390
c12CCC(C)c1cnn2C(C)CC	MCULE-3589638372,EMOLS-id_331019750	178.274	WPTBIXDPHKOZJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008391
c12C(C)CCc1nn(CC(C)C)c2	MCULE-5256237513,EMOLS-id_331005094	178.274	KCQPVPRRJKWLKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008392
c12cnn(C)c1C(CC2(C)C)(C)C	EMOLS-id_75547604,ZINC22_575422340,MCULE-3853087994	178.274	BJDZVSHMZIZTLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008393
CC1Cc2c(C1CCN)cn(c2)C	PC-id_112714550	178.274	FJBWGEFAWJSVKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008394
CC1Cc2c(C1)[nH]cc2C(N)(C)C	PC-id_112489407	178.274	FBJPJAINJYGIRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008395
CC1CCc2c1cnn2C(C)(C)C	EMOLS-id_331021285,MCULE-3268859389	178.274	CUVQNSUDNJBHAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008396
CC1CCc2ccc(CN(C)C)n12	EMOLS-id_38028	178.274	IZTAWEAFFJTVOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008397
CC1CCc2nn(cc12)C(C)(C)C	MCULE-4569738669,EMOLS-id_331004328	178.274	NXMYLPPLUVIREX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008398
CC1CCn2c1cc(n2)C(C)(C)C	SCHEMBL17811634,PC-id_121387056	178.274	WFZHNAMKKBNSLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008399
CC1CC(n2c1c(nc2)C(C)C)C	PC-id_144531773	178.274	NMOJAYYUBOQVPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008400
CC(C1C(C)Cc2c1cn(c2)C)N	PC-id_112714552	178.274	WVRJSVOKUYKLET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008401
CCC1CCn2c1cc(n2)C(C)C	SCHEMBL19228217	178.274	FWGIQSJBKXPIAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008402
CCC1N(C)c2n(C1(C)C)ccc2	PC-id_144358503	178.274	TVUAWJPSNXKGOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008403
CC(C1N(C)C(c2c1cc[nH]2)C)C	SCHEMBL18653120	178.274	SHKFMVKKCSQZPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008404
CCC1N(C)C(c2c1[nH]cc2)CC	PC-id_117713759,SCHEMBL16258840	178.274	QDMDBLWBMBPFMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008405
CCc1n(C)nc2c1CCC2(C)C	PC-id_68170190,SCHEMBL11930788	178.274	UNKDBIKJNJFBRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008406
CC(c1[nH]nc2c1CCC2(C)C)C	PC-id_142345814	178.274	QJXZGKQFENUBJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008407
CC(c1nn2c(c1)CC(C2)(C)C)C	PC-id_102105732	178.274	DXUZRLMUVZFJQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008408
CCc1nn(c2c1CCC2(C)C)C	SCHEMBL11930787,PC-id_68170189	178.274	DDRFMIWVTUFEAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008409
CCc1n(nc2c1CCC2)C(C)C	SCHEMBL19481582	178.274	OOWPYGAKKOGSLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008410
CC(C)c1cc(CN)c2CCCn12	ZINC22_218297677,EMOLS-id_50383224,PC-id_100010806,MCULE-8148353315	178.274	FGFBUMJBZKNYBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008411
CCCCCc1cn2c(n1)CCC2	SCHEMBL4431855,PC-id_69041460	178.274	VCJVVTHHONNKCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008412
CCC(C)n1cc2C(C)CCc2n1	MCULE-7459088886,EMOLS-id_330998703	178.274	BKOQVIOTYUZICP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008413
CC(C)Cn1ncc2C(C)CCc12	MCULE-9517428247,EMOLS-id_331022051	178.274	PYWFESUCFYHMRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008414
CC(n1cc2c(c1)CC(C2N)C)C	PC-id_112714561	178.274	XQMNXYLGYAKKHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008415
CCn1nc2c(c1C(C)C)CCC2	SCHEMBL21082386,PC-id_138706137	178.274	NGMRMSYQZMYTTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008416
CCn1nc(c2c1C(C)(C)CC2)C	PC-id_117858264,SCHEMBL16446134	178.274	RCGBDHRVWLVPSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008417
Cn1cc(c2c1CCC2)C(N)(C)C	PC-id_96742577	178.274	USDLMDDUTWKVAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008418
Cn1ccc2c1CN(C2)C(C)(C)C	SCHEMBL19498092	178.274	QMXXZQUUFRFCTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008419
CNCC1C(C)Cc2c1cn(c2)C	PC-id_112714554	178.274	WIFPOIVHHUJBQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008420
CNCCc1cc2n(c1C)CCC2	PC-id_96742545	178.274	KWNQJYBELFQHLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008421
CNCCc1cc(c2n1CCC2)C	PC-id_96742558	178.274	WZQDAGDOBIGYRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008422
CNCCc1c(C)cc2n1CCC2	PC-id_96742553	178.274	SCYOMUIGIGEMQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008423
CNCCc1cn(c2c1CCC2)C	PC-id_96742574	178.274	MSKUWLALRYIQIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008424
n12C(CC(N)c1ccc2)CC(C)C	PC-id_83636034	178.274	BPTQBMVSUZUTCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008425
CCCC1CCC2=C1C(=CS2)C	PC-id_160883749	180.097	SNJCZUKHALGBNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008949
n12nc(c(c1CCC2)C(C)C)CC	PC-id_58720057	178.274	OBSSXUNUPRRUKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008426
n1(cc2C(CCc2c1)C(CN)C)C	PC-id_83906273	178.274	ISPPNFSCWZLTJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008427
n1(cc2C(CCc2c1)CN)C(C)C	PC-id_83906277	178.274	MAMBKYXIYCNICP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008428
n1(cc2C(NC)CCc2c1)C(C)C	PC-id_83906278	178.274	TWZLOXOCNQPRCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008429
n1(C)cc(c2CCCc12)CCCN	MCULE-7609605611,PC-id_96629497	178.274	IQXJMOSCECTFTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008430
n1(c(C(C)(C)C)cc2c1CNC2)C	PC-id_83482166	178.274	RGOJGJHWNRNHIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008431
N1[C@@H](CC(C)C)c2[nH]c(cc2C1)C	PC-id_83668421	178.274	QOKUYLGKQDNYLN-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-008432
n1(nc2C(CCc2c1)(C)C)C(C)C	PC-id_59050200	178.274	NWJMODWZJRKYTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008433
n1(nc2c(C(CC2)(C)C)c1)C(C)C	PC-id_59050193	178.274	WMGODEXBGYGYRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008434
NCC(C1C(C)Cc2c1c[nH]c2)C	PC-id_112714549	178.274	WBNTYWOJAKLNIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008435
NCCCc1cc2n(c1C)CCC2	PC-id_96742546	178.274	FXQVFCKWQBXOFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008436
NCCCc1cc(c2n1CCC2)C	PC-id_96742559	178.274	VOKFFQONQYVDKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008437
NCCCc1c(C)cc2n1CCC2	PC-id_96742554	178.274	RQAKWOXQMBWLGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008438
NCCn1ccc2c1CC(C2)(C)C	PC-id_139381204,SCHEMBL21235803	178.274	IXTMUWUNVMGPAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008439
[nH]1c2c(CCC2)c(c1C(C)C)CN	PC-id_84767712	178.274	BKMKWEJQXUFGPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008440
[nH]1c2c(CCC2)c(c1C)CCCN	PC-id_84767717	178.274	KXWRTPZGSMRVLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008441
[nH]1c2c(CCC2)c(c1C)CCNC	PC-id_84767714	178.274	LVZNUSSOXPSTRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008442
[nH]1c2c(c(C(CN)C)c1C)CCC2	PC-id_84767719	178.274	INFKZFKJKUXRIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008443
[nH]1c2c(c(C(N)(C)C)c1C)CCC2	PC-id_84767731	178.274	QBTRKDPGKMRKLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008444
Cc1cc2c(s1)C(=C(C2C)C)C	PC-id_101951417	178.294	DCKUNBSCDKTOMX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008445
Cc1cc2c(s1)C(C(=C2)C)(C)C	PC-id_118579513,SCHEMBL17339869	178.294	KFHQTSZXIHVFBP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008446
CC1=C(C)c2c(C1)c(C)c(s2)C	PC-id_142615411	178.294	WPKRCWVFQZPXRH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008447
Cc1sc2c(c1)C(C(=C2)C)(C)C	SCHEMBL17339891,PC-id_118579532	178.294	QNOAVBLMWOJOLE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008448
Cc1sc2c(c1)C(=C(C2C)C)C	SCHEMBL17996870,PC-id_122470966	178.294	KROKAUHRFJJYDO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008449
CCC1=CCc2csc(c12)CC	PC-id_91494624	178.294	XTADUDWSVIBLEQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008450
CCCc1c2C(=CCc2cs1)C	PC-id_90985472	178.294	KHSPKFGNYWADTA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008451
CC(=C)c1c(C)sc2c1CCC2	PC-id_144415421	178.294	PSVULQXARSPEJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008452
CC(=C)c1sc2c(c1C)CCC2	SCHEMBL10238253,PC-id_68074075	178.294	QMMOPYOFMOEGDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008453
CCCCc1c2C=CCc2cs1	PC-id_91599504	178.294	PFJMCDILAHPVSO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008454
s1c2SSSc2cc1	PC-id_54372162	178.319	UTYYVYAXNAHBAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008455
FC1(F)Cc2cc(Cl)nn2C1	EMOLS-id_320439317,MCULE-2387130838	178.567	BSQKQEZSOFJCAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008456
FC1(F)Cc2c(Cl)cnn2C1	EMOLS-id_320442133,MCULE-5295066463	178.567	YUHILNXNDGIONZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008457
ClC1CCc2ns[s+]c12	PC-id_10242328	178.683	GCCPWGMHWAVSFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008458
C1CC2=C(C1)SC(=C2)CN=[N+]=[N-]	MCULE-8013038516,EMOLS-id_313793741,PC-id_152012116	179.052	UIXPWVFHSHYHGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008459
CCOC(=O)C1C=NC2=NC=CN12	PC-id_153641312	179.069	QEECIPZKVQKFMX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008460
CC(C=C)C1=NC2=C(S1)CCC2	PC-id_163832813	179.077	OFDJYCPTBXHXFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008461
C[Si](C)(C)N1C2=C(C=CC2)N=N1	PC-id_154011901	179.088	CCQKPTZUASRTLT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008462
C[Si](C)(C)N1N=C2CC=CC2=N1	PC-id_154011902	179.088	QIWBCEBLJBCHQQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008463
CC1CC2=CC(=CN2C1)C(=O)OC	PC-id_153364060	179.095	IUBSMCKORDHBFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008464
CC1=C2CNC(=O)C2=NN1C(C)C	PC-id_153946855	179.106	JVMJTJYOWMZNOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008465
CC(C)(C)n1c2c(CNC2=O)cn1	PC-id_163748540	179.106	OBDBVRZROTYCKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008466
CC(C)(C)N1CC2=C(C1=O)C=NN2	PC-id_154637427	179.106	OLWKCLBFOSIUNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008467
CC(C)(C)n1cc2CNC(=O)c2n1	PC-id_163748539	179.106	WQNVNRYWQOZGFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008468
O=c1occ2n1OS(=O)(=O)O2	PC-id_141594331	179.108	JYSBLVNFPQYQDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008469
o1c(c2c(C(=O)NC2)c1C=O)C=O	PC-id_82599973	179.13	AYGKJDGHIDSZQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008470
CCC(C)c1c2CN(Cn2nc1)C	PC-id_163638569	179.142	ICHRDNLKOYNLAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008471
CC(C)(C)[C@@H]1C[C@@H](c2ccnn12)N	EMOLS-id_336481126,PC-id_163593477	179.142	GRMITFJVDNNLEH-CBAPKCEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-008472
CC[C@@H]1CCC2=NN=C(N12)C(C)C	PC-id_155157352	179.142	MKPRLBKHWMAHEG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008473
CC[C@H]1CCC2=NN=C(N12)C(C)C	PC-id_155157701	179.142	MKPRLBKHWMAHEG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008474
CCN1C2=C(CCC2)C(=N1)CNC	PC-id_153575519,MCULE-8434810294,EMOLS-id_324390740	179.142	HETCOIBGGCXICJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008475
c1(C(=O)O)c(C)[nH]c2CCC(=O)c12	ZINC22_49474224,EMOLS-id_31521776,MCULE-9802169341,PC-id_53215410	179.173	OSSZOGBDYAVNHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008476
CC1Cc2c(C1=O)cc([nH]2)C(=O)O	PC-id_70287331,SCHEMBL8144810	179.173	IFDKLVLSJOFADD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008477
CC1Cc2c(C1=O)[nH]c(c2)C(=O)O	PC-id_70291058,SCHEMBL8159278	179.173	CEFYKRYTALGQOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008478
CC1CC(=O)c2c1cc([nH]2)C(=O)O	SCHEMBL8153439,PC-id_70289686	179.173	VXWRYFBCOHMNQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008479
CC1CC(=O)c2c1[nH]c(c2)C(=O)O	SCHEMBL8145076,PC-id_70287403	179.173	JQRGZANILNOANU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008480
Cc1[nH]c2C(=O)CCc2c1C(=O)O	EMOLS-id_81857783,PC-id_21957593,SCHEMBL5253717,MCULE-5557902312	179.173	VUHYBTRRBXKIJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008481
Cc1oc(C)c2c1C(=O)N(C)C2=O	PC-id_355206,CoCoCo_5665250,NSC608441,ZINC22_1610847	179.173	UNLUBNWGZUDCIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008482
C=Cc1coc2c1NC(C2)C(=O)O	SCHEMBL14288780,PC-id_89293294	179.173	VGFNBVDYANAFRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008483
C[C@H]1Cc2c(C1=O)cc([nH]2)C(=O)O	PC-id_57659886,SCHEMBL12777358	179.173	IFDKLVLSJOFADD-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008484
C[C@@H]1Cc2c(C1=O)[nH]c(c2)C(=O)O	PC-id_57659969,SCHEMBL12777359	179.173	CEFYKRYTALGQOS-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008485
C[C@H]1CC(=O)c2c1cc([nH]2)C(=O)O	PC-id_57659827,SCHEMBL12777381	179.173	VXWRYFBCOHMNQU-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008486
C[C@@H]1CC(=O)c2c1[nH]c(c2)C(=O)O	PC-id_57659815,SCHEMBL12777362	179.173	JQRGZANILNOANU-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008487
CCOC(=O)C1=Nc2c(C1)cco2	PC-id_18405225,SCHEMBL7678910	179.173	PHGMADAHUUJLJO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008488
CC(=O)O[C@H]1CC(=O)n2c1ccc2	PC-id_102161871	179.173	ZZUJHBJFVRGEPH-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008489
Cn1cc2C(=O)CCc2c1C(=O)O	EMOLS-id_323998112	179.173	OEDRGBIQNMBXAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008490
COC(=O)c1cc2CCC(=O)c2[nH]1	ZINC22_115011086,MCULE-5765163069,EMOLS-id_317914092,SCHEMBL1005097,PC-id_59180137	179.173	VTYAUBRVWBUQBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008491
COC(=O)c1cc2c([nH]1)CCC2=O	SCHEMBL1004484,MCULE-5966814079,ZINC22_91301612,PC-id_59180145,EMOLS-id_44846108	179.173	PIGXMHQRVXEDIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008492
COC(=O)c1c[nH]c2c1CCC2=O	SCHEMBL12466646,PC-id_68276507	179.173	RWINMNVRPCHYNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008493
COC(=O)c1[nH]c2c(c1)CC(=O)C2	SCHEMBL12777529,PC-id_57659922	179.173	DGXXDRAHKOILDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008494
COC(=O)c1[nH]cc2C(=O)CCc12	EMOLS-id_323995809	179.173	SGUKWDNGXFGFBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008495
COC(=O)[C@H]1CC(=O)c2n1ccc2	PC-id_93510214	179.173	XNKRSPRKDIVKAC-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008496
o1c2c(C(=O)N(C(C)C)C2=O)cc1	PC-id_85634705	179.173	HQPKXLDKLCKWTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008497
o1c2N(CCc2cc1C=O)C(=O)C	PC-id_82409770	179.173	QTVJIXIISMNMLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008498
o1c(c2CN(Cc2c1)C(=O)C)C=O	PC-id_82409763	179.173	LTCMSZAEKSAWQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008499
O=C1c2c(n(c(c2)C(=O)O)C)CC1	PC-id_66891140	179.173	BENLYAMHVVCXTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008500
O=C1c2n(CC1)ccc2C(=O)OC	PC-id_85780376	179.173	LJBSOFNKYAKZTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008501
O(C1c2n(C(=O)C1)ccc2)C(=O)C	PC-id_10749840	179.173	ZZUJHBJFVRGEPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008502
O=C1Cc2c(C1C)cc([nH]2)C(=O)O	SCHEMBL8157839,PC-id_70290724	179.173	MAPAJTYKZLWGDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008503
O=C1Cc2c(C1C)[nH]c(c2)C(=O)O	PC-id_70289691,SCHEMBL8153456	179.173	NCGKQXPLGABJKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008504
O=C1Cc2c([C@H]1C)cc([nH]2)C(=O)O	SCHEMBL12777378,PC-id_57659835	179.173	MAPAJTYKZLWGDQ-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008505
O=C1Cc2c([C@@H]1C)[nH]c(c2)C(=O)O	SCHEMBL12777366,PC-id_57659833	179.173	NCGKQXPLGABJKU-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008506
O=C1CC(n2c1ccc2)CC(=O)O	PC-id_274450	179.173	XWRDBOVGKWOVFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008507
O=C(O)C[C@H]1CC(=O)c2cccn12	PC-id_92162764,LI_43764,ZINC22_1709971,CoCoCo_5445878	179.173	XWRDBOVGKWOVFX-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008508
O=C(O)C[C@@H]1CC(=O)c2cccn12	ZINC22_5031367,NSC120497,CoCoCo_5445877,PC-id_92248370	179.173	XWRDBOVGKWOVFX-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-008509
Cc1c(nc2n1C[C@H](O2)CO)C#N	PC-id_140261714	179.176	YIZPPDKNSBXZSS-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-008510
Cc1c(nc2n1CC(O2)CO)C#N	PC-id_140261638	179.176	YIZPPDKNSBXZSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008511
CCOc1c2N=C(Cn2nc1)C=O	PC-id_136459097	179.176	FLXLCDMAHURZDK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008512
CCOc1cnn2c1NC(=C=O)C2	SCHEMBL10587281	179.176	HIJMGJWTPHXMFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008513
CCOC(=O)C1C=Nc2n1ncc2	SCHEMBL8977949,PC-id_67742125	179.176	AZIWWJHZGUKCSB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008514
CCOC(=O)n1cc2c(n1)C=NC2	PC-id_141147996	179.176	SPFJYZZDEPJFKT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008515
CCOC(=O)n1ncc2c1C=NC2	PC-id_141215720	179.176	QCULHNJRBHJJHB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008516
n12CCCc1nnc2C=CC(=O)O	MCULE-6469262726	179.176	FSZJZHVJFYVSCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008517
n12CCCc1nnc2/C=C/C(=O)O	ZINC22_96509934,EMOLS-id_49181754,MCULE-6600259569,PC-id_97617291	179.176	FSZJZHVJFYVSCD-ONEGZZNKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008518
O=C1N(CCN)C(=O)c2n1ccc2	PC-id_83680796	179.176	STQVXJPRBWWQCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008519
[O-]C1=NC(=O)n2[n+]1c(c(c2C)C)C	PC-id_12826464	179.176	MYFJDZSJINXUJS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008520
[O-][N+](=O)C=Cc1n[nH]c2CCCc12	EMOLS-id_313877074,MCULE-3275573395	179.176	HXFJLCMBXAQDNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008521
s1c2c(C(=C([N+]#N)C2=O)O)cc1	PC-id_10976047	179.176	DWWDBUOJIBIJAN-UHFFFAOYSA-O	00000011100000000000000010000000000000000000000000000000	25-01-008522
NC(=O)NN=C1CCn2c1ncc2	EMOLS-id_303190211	179.179	XXXNBRJOYWJOIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008523
O1c2n[nH]c(c2C(=C(N)N)C1=N)C	PC-id_83449130	179.179	KPORTSLBYBLIAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008524
O=C(NC1=Nn2c(nnc2C)C1)C	PC-id_22944591	179.179	CGUXCJYQNVITPF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008525
O=C(NC)C1=Nn2c(nnc2C)C1	PC-id_22944590	179.179	LUVKBDHTQFAQIT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008526
c12CNCc1nn(CCF)c2C#C	MCULE-7023917583,EMOLS-id_324357487	179.194	OVZNRISCSYBMIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008527
c1(C#N)c2CCCc2nn1CCF	EMOLS-id_324392274,MCULE-3935606345	179.194	HKHDSEZPMSDCTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008528
FCCn1nc(C#N)c2CCCc12	MCULE-3403246849,EMOLS-id_324389208	179.194	GBPBBEGOZAAALD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008529
C1c2c(c(c(s2)N)C#N)NC1=O	PC-id_92020358	179.199	BPHGGWYFWAHPDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008530
c12cccn1CCC2C(=O)OCC	EMOLS-id_70105267,PC-id_13077382,SCHEMBL11451737,MCULE-7084452453	179.216	YUTCMYFVXRZWMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008531
C1Cc2ccc(C(=O)CCO)n2C1	HMDB0040021,CNP0063017,PC-id_6428976	179.216	DLLQYHQNPSDCSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008532
c1(C(=O)O)cc(n2CCCc12)CC	ZINC22_218297885,PC-id_100010817,EMOLS-id_50383230,MCULE-5852506680	179.216	WKNNMIRUNQNYFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008533
c1n2CCCc2c(C(=O)OCC)c1	EMOLS-id_107069793,PC-id_14038262,MCULE-9683279296	179.216	QNFBJKVNVWKMNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008534
CC1Cc2c(C1)c(c([nH]2)C(=O)O)C	SCHEMBL8145079,PC-id_70287404	179.216	ISTYSWZGHIBEOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008535
CC1Cc2c(C1CC(=O)O)c[nH]c2	PC-id_112714563	179.216	NWHCUYWQXPJFEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008536
CC1Cc2c(C1C(=O)O)cn(c2)C	PC-id_112714564	179.216	CWYISTVPAQIBAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008537
CC1Cc2c(C1=O)c(no2)C(C)C	PC-id_112714568	179.216	XCVQMUDAVLFKKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008538
CC1CCc2c1c(C)c([nH]2)C(=O)O	PC-id_70291057,SCHEMBL8159277	179.216	VDONLNIUIJWCPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008539
CC1CCc2c1cc(n2C)C(=O)O	PC-id_142701029	179.216	WERUVNMUKBBHHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008540
CC1CCc2c1[nH]c(c2C)C(=O)O	SCHEMBL8157761,PC-id_70290696	179.216	KOHRESAZIBBRQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008541
CC1(C)Cc2cc([nH]c2C1)C(=O)O	MCULE-4564261462,EMOLS-id_64088330,PC-id_118990173	179.216	GCOKNBKESBHYBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008542
CCC1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_70289147,SCHEMBL8151467	179.216	OPYZRDRANCUXLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008543
CCC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL8159258,PC-id_70291048	179.216	XOUKUAXTMPZUOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008544
CCC1CCc2c1[nH]c(c2)C(=O)O	PC-id_70290719,SCHEMBL8157829	179.216	PFTYFEJWKVHMMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008545
CCCCn1cc2c(c1)COC2=O	PC-id_102236442	179.216	MQPKMJZAFLUWLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008546
CC[C@H]1Cc2c(C1)cc([nH]2)C(=O)O	SCHEMBL12777372,PC-id_57659847	179.216	OPYZRDRANCUXLI-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008547
CC[C@H]1CCc2c1cc([nH]2)C(=O)O	SCHEMBL12777375,PC-id_57659863	179.216	XOUKUAXTMPZUOJ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-008548
CC[C@@H]1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL12777370,PC-id_57659962	179.216	PFTYFEJWKVHMMO-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008549
CCCn1cc2c(c1)OC(=CC)O2	PC-id_141071732	179.216	NVIHTQITEPSKGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008550
C[C@H]1Cc2c(C1)c(c([nH]2)C(=O)O)C	PC-id_57659882,SCHEMBL12777385	179.216	ISTYSWZGHIBEOT-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008551
C[C@H]1CCc2c1c(C)c([nH]2)C(=O)O	PC-id_57659950,SCHEMBL12777386	179.216	VDONLNIUIJWCPE-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008552
C[C@@H]1CCc2c1[nH]c(c2C)C(=O)O	SCHEMBL12777390,PC-id_57659813	179.216	KOHRESAZIBBRQD-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008553
CCn1c(cc2c1CCC2)C(=O)O	PC-id_66874522,SCHEMBL1006638	179.216	MAERWCNRIMEXKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008554
CCNC(=O)c1occ2c1CCC2	EMOLS-id_96833985	179.216	GMKFTENZCNKKLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008555
CCOC1Cc2c(C1)cc([nH]2)C=O	PC-id_144126390	179.216	VBMCAYCQJYEBOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008556
CCOC1C=Cn2c1c(cc2)CO	PC-id_91749684	179.216	IHDSENUTEFTWCP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008557
CCOC(=O)c1cc2CCCc2[nH]1	PC-id_15319183,ZINC22_5333905,EMOLS-id_49805958,SCHEMBL1004793,MCULE-9418538158	179.216	BCKKFUQZDGWAJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008558
CCOC(=O)c1[nH]cc2c1CCC2	MCULE-2147992880,SCHEMBL13977549,ZINC22_45814733,PC-id_15721843,EMOLS-id_81811776	179.216	VOQBTLZBLJPLNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008559
CNCC(=O)c1oc2c(c1)CCC2	PC-id_96629279	179.216	YQYFYTQAPGIEPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008560
CN(C(=O)c1occ2c1CCC2)C	EMOLS-id_114446408	179.216	GQESUKUQZURRSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008561
COc1cc(n2c1CCC2)C(=O)C	PC-id_96629288	179.216	OHGMWQKIAOIVBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008562
COC(=O)c1cc2c([nH]1)CCC2C	PC-id_59180130,SCHEMBL1004723	179.216	KXGQWZDQXDPHJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008563
COC(=O)c1c(C)cc2CCCn12	PC-id_134285113,SCHEMBL19900810,EMOLS-id_324187197	179.216	KQHWFSSMAWZJJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008564
COC(=O)c1[nH]c2c(c1)CC(C2)C	PC-id_59180097,SCHEMBL1003990	179.216	WLUJGOGMMKDZIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008565
o1c2c(CCC2)c(c1C)C(=O)CN	PC-id_84656964	179.216	ROZFTXGGYOGLJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008566
o1c(c2CN(Cc2c1)CC)C(=O)C	PC-id_82372648	179.216	MBKXFRSWKRAHCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008567
O1C(n2c(C1=O)ccc2)(CC)CC	PC-id_11240806	179.216	NOCKIGRJZPPYJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008568
o1nc2c(CCC2)c1C(C)C(=O)C	PC-id_83858707	179.216	BISSCGFBGNUUSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008569
o1nc2c(CCC2)c1CCC(=O)C	PC-id_83858711	179.216	OVJMKJNXUWLXJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008570
o1nc2c(CCC2)c1CC(=O)CC	PC-id_83858713	179.216	ZBKLVJYAPQRTHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008571
o1nc(C(C)(C)C)c2c1CCC2=O	PC-id_83861263	179.216	QQYMROMYCZXRRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008572
O(Cc1c2n(CCC2=O)cc1)CC	PC-id_13946375	179.216	NTULMWBHQQDSNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008573
OCc1c(n2c(CCC2)c1)C(=O)C	PC-id_45116143	179.216	VHXVEFZXZODTSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008574
OC(=O)c1c2c([nH]c1CC)CCC2	PC-id_82409586	179.216	GZKXMRRVFDYWMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008575
O(C(=O)c1c2n(CCC2)cc1C)C	PC-id_13864184	179.216	LYRQJKOFFANQMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008576
O(C(=O)c1c2n(CCC2)c(c1)C)C	PC-id_14901294	179.216	KZDQMKBBVXWQGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008577
OC(=O)C1c2[nH]c(c(c2CC1)C)C	PC-id_83669292	179.216	ODQQYFSGCCSTOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008578
OC(=O)c1c(C)c2n(c1C)CCC2	PC-id_112545304	179.216	UXKUXWZXMYZZQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008579
O(C(=O)C1CCn2c1cc(c2)C)C	PC-id_12795076	179.216	WVERSXMOTBBGHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008580
O(C(=O)C1Cn2c(C1)ccc2)CC	PC-id_12335068	179.216	IOLLLMXGIWRDMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008581
O(C(=O)c1cn2CCCc2c1)CC	PC-id_12335069	179.216	ZPOYBJMEUNUZFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008582
O(C(=O)c1c(n2CCCc2c1)C)C	PC-id_14901295	179.216	UMUKYKSUEIPZNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008583
OC(=O)c1n(c2c(CCC2)c1C)C	PC-id_83816826	179.216	IZAJZQJJYFPGJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008584
OC(=O)c1n(c(c2c1CCC2)C)C	PC-id_84656904	179.216	YHSMNGTVJHRSKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008585
O(C(=O)c1[nH]c2c(CCC2)c1C)C	PC-id_11819614	179.216	QKSRZIZMIHKPEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008586
OC(=O)c1[nH]c2c(CCC2)c1CC	PC-id_83816825	179.216	SNOHOEJWEYJSED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008587
OC(=O)c1[nH]cc2CC(Cc12)(C)C	PC-id_45116145	179.216	KZHLBAOKNYQDHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008588
OC(=O)Cc1c2c(n(c1)C)CCC2	PC-id_82600075	179.216	RHJBPCYFLBBADK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008589
OC(=O)Cc1cc2n(c1C)CCC2	PC-id_96629311	179.216	JJVUFJWDHLUQSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008590
OC(=O)CC1CCc2c1cn(c2)C	PC-id_83906301	179.216	QDXRIELYFPADDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008591
OC(=O)C(C1CCc2c1c[nH]c2)C	PC-id_83906303	179.216	WEQCDWQPKPSXBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008592
OC(=O)Cc1cc(c2n1CCC2)C	PC-id_96629313	179.216	SPULPLNTDMRPQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008593
OC(=O)Cc1c(C)cc2n1CCC2	PC-id_96629312	179.216	XRGALTBWOILDEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008594
OC(=O)CC1CC(n2c1ccc2)C	PC-id_83636077	179.216	WKSFXFLQMRCAAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008595
OC(=O)Cc1c(C)[nH]c2c1CCC2	PC-id_96742897	179.216	BTGGSSREMKQMGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008596
OC(=O)CCc1c2CCCc2[nH]c1	PC-id_82600076	179.216	AVZWHBNCIISXPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008597
OC(=O)CCc1ccc2CCCn12	PC-id_15584419,EMOLS-id_34259	179.216	PTLALCQQKSLNRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008598
OC(=O)CCc1cn2c(CCC2)c1	PC-id_82600074	179.216	FLDKQAQPGWTYCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008599
c1(C(=O)N)c2C(C)CCc2n(C)n1	MCULE-4300171493,EMOLS-id_331038978	179.219	YRLQIZGUCFNKNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008600
c1(C(=O)N)c2C(C)CCc2nn1C	EMOLS-id_330960832,MCULE-4284031428	179.219	XSUOCRXQQYOJCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008601
c1(C(=O)NCC)c2CCCc2[nH]n1	MCULE-4867458066,EMOLS-id_96231157	179.219	XAVIOMPMBWOSRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008602
C1NCC1Oc1n[nH]c2CCCc12	MCULE-7375524985,EMOLS-id_313870416	179.219	RGYCOKLSSFHKEJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-008603
CC1c2c(C(=O)N1)ncn2C(C)C	SCHEMBL15142233,PC-id_89714949	179.219	ZLRDMKJLXWZNEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008604
Cc1cc2c([nH]1)[C@H](NC2=O)CCN	SCHEMBL15243662	179.219	DTNGLPZRQAHYCK-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008605
Cc1cc2c([nH]1)C(NC2=O)CCN	PC-id_89793602,SCHEMBL15243661	179.219	DTNGLPZRQAHYCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008606
CC1Cn2ccnc2C1C(=O)NC	PC-id_135274319,SCHEMBL20438248	179.219	POROIMJCJGBSOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008607
Cc1cnc2n1CC(=O)N2C(C)C	PC-id_88992568,SCHEMBL12970369	179.219	JXXATGPZLXUTCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008608
CCc1cnn2CCN(C(=O)C)c12	EMOLS-id_195325567,MCULE-6739923534	179.219	XCNKQJHWKXKBEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008609
CCc1[nH]c2c(n1)CN(C2)C(=O)C	PC-id_142544786	179.219	RGBSLZXJLFGEOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008610
CC(c1nn2c(NC(=O)C2)c1)(C)C	EMOLS-id_44464775,PC-id_135741967,ZINC22_83255050,MCULE-6623354857	179.219	UFMRZZGKHQAVOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008611
CC(C)c1cnc2n1CC(=O)N2C	PC-id_88992522,SCHEMBL12970223	179.219	SJJWNCWROSEORS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008612
CCCCN1Cn2c(C1=O)ncc2	PC-id_140261589	179.219	QPCNVTPPHNTBGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008613
CCCC(=O)c1nn2CCCc2n1	SCHEMBL20228736,PC-id_134577357	179.219	WGECUVACLYDDOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008614
CCCC(=O)N1Cc2c(C1)c[nH]n2	MCULE-3049476864	179.219	CTXFTKHXJNXQHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008615
CCCn1cc2c(n1)C(=O)NC2C	PC-id_141099259	179.219	PAGADSKKNXFISY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008616
CCCn1nc2c(c1C)CNC2=O	PC-id_141428185	179.219	QJSMRCHWRZHZGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008617
CCCn1nc(c2c1C(=O)NC2)C	PC-id_141428200	179.219	DAQCNJPYTVBISH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008618
C=CCOCc1n[nH]c2c1CNC2	EMOLS-id_50369967,ZINC22_306142022	179.219	WNBCVAVPAJDBTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008619
CC(C(=O)N1Cc2c(C1)c[nH]n2)C	SCHEMBL16219017,MCULE-5638793279,EMOLS-id_97201096,PC-id_117684380	179.219	NHEXMPYQOGSBMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008620
CCC(=O)N1Cc2c(C1)c([nH]n2)C	SCHEMBL17232799,PC-id_118491760	179.219	HAJJVZPXKZMTCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008621
CCC(=O)N1Cc2c(C1)cnn2C	SCHEMBL15932471,PC-id_90326485	179.219	JNMWLLJESIMKIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008622
CCC(=O)N1Cc2c(C1)nc([nH]2)C	PC-id_89983884,SCHEMBL15492437	179.219	XCESDIBDMPDIRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008623
CC(C(=O)N1CCn2c1ccn2)C	EMOLS-id_114447613	179.219	MRTIIIXHFOKLMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008624
CC(N1Cc2c(C1=O)cn(n2)C)C	SCHEMBL12430086,PC-id_68262590	179.219	SGRYDPXSMJNMRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008625
CCn1nc2c(c1C=O)CN(C2)C	PC-id_105438155	179.219	CDLIVLYPNMCBAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008626
CCn1nc(c2c1CN(C2)C)C=O	PC-id_105438140	179.219	XUOCADHWIXLLIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008627
CC(N)C(=O)c1cc2CCCn2n1	EMOLS-id_324139321	179.219	GQLIHAXVMXSOKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008628
CC(N)C(=O)c1n[nH]c2CCCc12	PC-id_84656967,EMOLS-id_313898836,MCULE-2811201780	179.219	HWGGVYDKWOLUPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008629
CC(=O)c1c2CC(Cn2nn1)(C)C	PC-id_91983154	179.219	PPOZBXFDIDVNLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008630
CC(=O)Cc1nn2c(c1)N(CC2)C	PC-id_96851861	179.219	VIGSUAFIMMBRNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008631
CCOC(=C)c1cnn2CCNc12	MCULE-7286165253,EMOLS-id_259812065	179.219	PZYPSUJKCWYGAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008632
CC(=O)N1Cc2c(C1)c(nn2C)C	SCHEMBL17232678,PC-id_118491661	179.219	XZERPWSRJPSWTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008633
CC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_114447616	179.219	HGYMXGCRSAERDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008634
CN1Cc2c(C1=O)nn(c2)C(C)C	PC-id_68262589,SCHEMBL12430079	179.219	IHNJACYUIKUTBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008635
CN1CCn2c1c(C(=O)C)c(n2)C	PC-id_96629270	179.219	SXZQTDCEFOLJDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008636
CNCc1n(C)nc2c1C(=O)CC2	PC-id_112711195	179.219	MTTVNMYUIUMFFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008637
CNCc1nn(c2c1C(=O)CC2)C	PC-id_112711185	179.219	OZOGZFYWXFHKJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008638
CNCC(=O)c1n[nH]c2CCCc12	PC-id_84656968,EMOLS-id_313898580,MCULE-5446269133	179.219	JWBOPUIJVWUWSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008639
CNC(=O)c1c(C)nc2n1CCC2	EMOLS-id_96747078	179.219	DSTXKZJFSRCTCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008640
CN(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_97227377	179.219	UIQAVZALJYNIMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008641
COC1C=Nc2c1n(CC)cc2N	PC-id_140104834	179.219	KPIKVAWFXHEGOI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008642
n1c(C(=O)C(C)N)cn2CCCc12	MCULE-9449875435	179.219	IJVSDXPKJAQDES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008643
NCc1[nH]cc2c1CN(C2)C(=O)C	PC-id_97703791	179.219	WIYPMEYBLOHICS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008644
NCCC(=O)c1n[nH]c2CCCc12	MCULE-8485073350,EMOLS-id_313891411	179.219	COXRNXIOICRFMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008645
NCC(=O)c1c(C)nc2n1CCC2	PC-id_112545547	179.219	KRCZYDALAMYBFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008646
O=C1c2c(n(nc2CCN)C)CC1	PC-id_83863442	179.219	JVQUOJFZPWFRSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008647
O=C1c2c(nn(c2CCN)C)CC1	PC-id_83863660	179.219	KHLVTEUXUXQYCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008648
O=C1N(c2n(C1(C)C)c(cn2)C)C	PC-id_68329062,SCHEMBL12617092	179.219	USMGJRYDZPZMAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008649
O=C1Nc2n(C1C(C)C)c(nc2)C	PC-id_85783707	179.219	ZPCCUCXNVJUXGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008650
O=C1Nc2n(C1)c(nc2C(C)C)C	PC-id_85783693	179.219	BZRKQAOESKWWQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008651
O=C1NCc2c1n(nc2C)C(C)C	PC-id_141428199	179.219	GMKKRXAUHRIGNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008652
O=C1N(Cc2n1ccc2)CCCN	PC-id_83680809	179.219	FHOAHIGHSYZFRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008653
O=C(c1n2c(CCC2)c(n1)C)CN	PC-id_82654072	179.219	IPIPBHGDKAFLJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008654
O=C(c1n2CCCc2cn1)CNC	PC-id_82654083	179.219	IULCKCCNPPZQIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008655
O=Cc1n2CCN(c2nc1CC)C	PC-id_82409494	179.219	HHJMDKVITSDOBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008656
O=Cc1nc2n(n1)C(CC2)C(C)C	SCHEMBL18366637	179.219	SIINBYNZRKOPNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008657
O=C(c1nc(n2c1CCC2)C)CN	PC-id_82600176	179.219	HQANSVHQWFGBCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008658
O=C(c1[nH]c2CCCc2n1)CCN	PC-id_84732210	179.219	QMOWQKDDRWOUIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008659
O=C(c1nn2CCCc2c1)CCN	PC-id_82654087	179.219	DISCIRIMZJDMDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008660
O=C(c1nn2CCCc2c1)CNC	PC-id_82654084	179.219	PUJULHJNXCSMNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008661
O=C(c1nn2c(C(CC2)C)c1N)C	PC-id_20744106	179.219	BJIKVBVPIUYCGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008662
O=C(c1nn(c2c1CCC2)C)CN	PC-id_84656965	179.219	KWISXGMCQRANAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008663
O=C(c1n(nc2c1CCC2)C)CN	PC-id_84656969	179.219	HTEBQJFJTKOJKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008664
O=Cc1nn(c2c1CNC2)C(C)C	PC-id_105438135	179.219	OJEBRXRTFUNINY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008665
O=Cc1n(nc2c1CNC2)C(C)C	PC-id_105438150	179.219	VOPGKWAJQMMGFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008666
OCCNN=C1CCn2c1ccc2	EMOLS-id_303899002	179.219	RJRCPXHADBZVLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008667
O=CNc1cc2n(n1)CCC2(C)C	PC-id_144010092	179.219	RVEXFGYWPWBJAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008668
C1CC1C(c1c2NCCn2nn1)N	PC-id_136313051	179.222	VVNAYXYRZYLFGL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-008669
CC(C1N=Nc2n1nc(c2N)C)C	PC-id_69732333,SCHEMBL6284149	179.222	NXTNGDCLCXZMKU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008670
n12nc(cc1N(CC2)C)CC(=N)N	PC-id_83676831	179.222	OUUMEJAXLAGMBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008671
N1=Nc2n[nH]nc2C1(C(C)(C)C)C	PC-id_70461889	179.222	KXYDNHPSRUTIIB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008672
c1(C#N)c2CCCc2sc1OC	EMOLS-id_331060518,MCULE-6085507379	179.239	TXSXGRQXYPCDCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008673
CC(=O)c1c(C)c2n(c1C)C[NH2+]C2	GD-id_ZINC01679816	179.239	OTTJNXLUEGXOTI-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-008674
O=c1n2[CH]CCc2cn1C(C)(C)C	PC-id_102170871	179.239	ZYNPWNMTNIOUDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008675
O=C1NC(=C)c2c1c(C)sc2C	SCHEMBL19135977	179.239	YLMAYOWFFBGADC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008676
O=C=NCc1cc2CCCc2s1	MCULE-5015067253,EMOLS-id_313847999	179.239	JKMRVQZANJAVQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008677
[O]N1C(c2c(C1(C)C)c[nH]c2)(C)C	PC-id_21860644	179.239	MCHKDAACQNDQDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008678
s1c2c(n(c1=O)CC#C)CCC2	PC-id_85910189	179.239	OXNMKACWCKDANV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008679
s1c2c(NC(=C(C)C)C2=O)cc1	PC-id_74930647	179.239	ZHWWZPQDOJHLBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008680
s1c2NC(=O)C(=CC)c2cc1C	PC-id_59043156	179.239	ZHECTPIPWONNJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008681
c12CN(Cc1sc(C#N)c2N)C	MCULE-2915281602,EMOLS-id_330874181	179.242	AGRQYSUNOJZEII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008682
c12CSCc1nn(CC)c2C#N	PC-id_105438274,MCULE-3601026359,EMOLS-id_324402512	179.242	ANOJGBIPMGFLTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008683
c1(C#N)c(N)sc2CN(C)Cc12	EMOLS-id_331063848,PC-id_58116976,SCHEMBL12908874,MCULE-9119328156	179.242	YPWITCHLPGFANI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008684
CCn1nc(c2c1CSC2)C#N	PC-id_105438270	179.242	ZTVBOCROPVIWPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008685
[n+]1(c2n(nc1CC)N=C(C2)C)CC	PC-id_22944544	179.242	XWGULCVNNASGLF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008686
N#CCn1c(=N)sc2c1CCC2	EMOLS-id_114448583	179.242	VLAREDGHRUXXHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008687
N#CCSc1[nH]c2c(n1)CCC2	EMOLS-id_97148168	179.242	IYAAQUMXWKKFQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008688
S1c2n(CC1)c(c(n2)C)CC#N	PC-id_10773687	179.242	IKQKXXWCBQCAAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008689
S1c2n(CC1)c(c(n2)CC#N)C	PC-id_82409441	179.242	BBBVINWBTOQVFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008690
S1c2n(CC1)c(c(n2)C)C[N+]#[C-]	PC-id_83482256	179.242	IRLUHPOWFNDZGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008691
S1c2n(CC1)cc(n2)CC[N+]#[C-]	PC-id_83482257	179.242	OCZXEAMDCMHYNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008692
S1c2n(nc(c2)CC[N+]#[C-])CC1	PC-id_83482258	179.242	RMKWMIALOCXWTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008693
S1CCn2c(CC[N+]#[C-])cnc12	PC-id_83482248	179.242	CQBLOIOJBOKXDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008694
c1(CC(C)O)cn(c2CCCc12)C	MCULE-7468000154	179.259	KTASNOQSGRSSAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008695
CC1Cc2c(C1CCN)cc(o2)C	PC-id_112714577	179.259	KDUFKNGEUICXMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008696
CC1Cc2c(C1CCN)oc(c2)C	PC-id_112714574	179.259	BPGFKBBICNPTRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008697
CC1Cc2c(C1N)cc(o2)C(C)C	PC-id_112714605	179.259	ROPMDRKMPFNCEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008698
CC1CCc2ccc(n12)CCCO	PC-id_85882462	179.259	VARGQWZXONYYOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008699
Cc1nc2c(o1)C(CC2(C)C)(C)C	PC-id_58734290,SCHEMBL14370212	179.259	DRHOBHPLIBXIBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008700
Cc1noc2c1C(C)(C)CC2(C)C	PC-id_58734291,SCHEMBL14370211	179.259	IWTXCFYLMDHPEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008701
Cc1oc2c(c1)C(C(C2)(C)C)(C)N	PC-id_57788074,SCHEMBL12261452	179.259	MBBWHKSPJDAUKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008702
Cc1onc2c1C(C)(C)CC2(C)C	PC-id_58734288,SCHEMBL14370214	179.259	VNCSAXSGUPPNJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008703
CC(Cc1oc2c(c1)CNC2)(C)C	PC-id_96629119	179.259	NFLDTPIOFRQLPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008704
CCC(C)(C)c1coc2CNCc12	EMOLS-id_208098464,MCULE-9044834518	179.259	VXEAAJXTEDROJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008705
CC(C)(C)Cc1coc2CNCc12	MCULE-8666214361,EMOLS-id_208098461	179.259	HRBFJLCTRATTJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008706
C[C@@H]1C[C@@H](c2c1c(no2)C(C)C)C	PC-id_121345368,SCHEMBL17761714	179.259	VEKROSYYLUOQDA-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008707
CC(Oc1[nH]cc2c1CCC2)(C)C	PC-id_142650720	179.259	GYJQJQDXNFMFHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008708
Cn1c(C)c2c(c1C)CCC2(C)O	SCHEMBL11331730,PC-id_23456207	179.259	BDZYWDSHFIGWDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008709
CNCC1C(C)Cc2c1cc(o2)C	PC-id_112714585	179.259	RPCXHVAOVHTLAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008710
CNCC1C(C)Cc2c1oc(c2)C	PC-id_112714582	179.259	YJOFEBWEIRMDHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008711
NCC1C(C)Cc2c1cc(o2)CC	PC-id_112714591	179.259	OVCODOZTGKYFEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008712
NCC1C(C)Cc2c1oc(c2)CC	PC-id_112714590	179.259	HJRJLZZFPAOKBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008713
NCC(C1C(C)Cc2c1cco2)C	PC-id_112714572	179.259	WTEVQHMYSLIFHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008714
NCC(C1C(C)Cc2c1occ2)C	PC-id_112714570	179.259	IDFAYNCBSSTFIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008715
o1c2c(CCC2)c(c1C(C)C)CN	PC-id_83610293	179.259	JBCWIXRAMQRPRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008716
o1c2c(CCC2)c(c1CCC)CN	PC-id_83610365	179.259	NJWNLWVFXTXKPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008717
o1c2C(CCc2cc1CC)CCN	PC-id_83906340	179.259	FDURXYOKLNSILE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008718
o1c2C(CCc2cc1C(C)C)CN	PC-id_83906354	179.259	MXXQKPSZVASFPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008719
o1c2c(CCC2)cc1C(CCN)C	PC-id_82600267	179.259	CWAFQHIVXUVWBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008720
o1c2c(CCC2)c(c1CC)CNC	PC-id_83610198	179.259	JLWQIKJCIPVZCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008721
o1c2c(CCC2)c(c1CC)C(N)C	PC-id_83610267	179.259	ZBNVZTDAJPZGFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008722
o1c2C(CCc2cc1C)C(CN)C	PC-id_83906335	179.259	LNGKLMKWNYQIJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008723
o1c2C(CCc2cc1CC)C(N)C	PC-id_83906344	179.259	MZYSEMQNJCREHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008724
o1c2C(CCc2cc1CC)CNC	PC-id_83906348	179.259	GSDRCFNPYWMUSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008725
o1c2c(CCC2)cc1CC(N)(C)C	PC-id_82600268	179.259	JJMQWFGZNVNDQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008726
o1c2c(CCC2)c(c1C)CNCC	PC-id_83610121	179.259	NDQFJYVJEPWISG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008727
o1c2c(CCC2)c(CCCN)c1C	PC-id_84767987	179.259	NCTSLWFUKCUPQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008728
o1c2c(CCC2)c(CCNC)c1C	PC-id_84767985	179.259	CUXSYUXXILWFTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008729
o1c2c(C(CC2)CCN)cc1CC	PC-id_83906341	179.259	YFDUEEHWMARMBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008730
o1c2c(C(CC2)C(CN)C)cc1C	PC-id_83906337	179.259	GNUZIKHXJQUKMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008731
o1c2c(C(CC2)CN)cc1C(C)C	PC-id_83906352	179.259	AGRDQOUESDVLKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008732
o1c2c(C(CC2)C(N)C)cc1CC	PC-id_83906345	179.259	QOFMSCOIYNXENK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008733
o1c2c(C(CC2)CNC)cc1CC	PC-id_83906349	179.259	URMBBHFJHIKJMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008734
o1c2c(c(C(CN)C)c1C)CCC2	PC-id_84767988	179.259	YXCDVPLXKRFRNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008735
o1c2CC(C)C(NC)c2cc1CC	PC-id_112714598,MCULE-2153638728	179.259	MLLWOXVUPNIUHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008736
o1c2c(c(C(N)(C)C)c1C)CCC2	PC-id_84767999	179.259	ZQXBKEOJOKWBHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008737
o1c2c(C(NC)CC2)cc1C(C)C	PC-id_83906358	179.259	RZBUYHPDPIICKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008738
o1c2C(N)C(C)Cc2cc1C(C)C	MCULE-6899334262,PC-id_112714603	179.259	PAESBVBFXSPXJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008739
o1c2C(NC)CCc2cc1C(C)C	PC-id_83906356	179.259	BDIKMRLORNXFMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008740
o1c2C(NC)C(C)Cc2cc1CC	MCULE-7271881127,PC-id_112714597	179.259	YPPIZADVHPCBEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008741
o1cc2CC(C)C(C(CN)C)c2c1	PC-id_112714571,MCULE-8484586503	179.259	SQQFAABAWMUZGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008742
c12CCC(C)c1c(nn2C(C)C)N	EMOLS-id_330968048,MCULE-4135056821	179.262	MHPQWWVQRCUCSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008743
c12C(C)CCc1n(nc2)CCCN	MCULE-7133079745,EMOLS-id_331019494	179.262	CEPSTJMQGJNPRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008744
c12C(C)CCc1n(nc2N)CCC	MCULE-1382932095,EMOLS-id_330965489	179.262	NDWZTAJRKIRSGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008745
c12C(C)CCc1nn(CCC)c2N	EMOLS-id_331015587,MCULE-4055019062	179.262	PPVMEHHUEUZMQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008746
c12C(C)CCc1nn(CCCN)c2	MCULE-5427341828,EMOLS-id_331002281	179.262	KIJQNFRKXQTINI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008747
c12CC(C)C(CN)c1c(C)n(C)n2	PC-id_112714631,MCULE-1086173332	179.262	AJRZINWDFKJIFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008748
c12CC(C)C(CN)c1c(C)nn2C	PC-id_112714630,MCULE-4309769573	179.262	ODHUIISNWFVARC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008749
c12CC(C)C(N)c1c(C(C)C)n[nH]2	PC-id_112714651,MCULE-9102951887	179.262	OKAWJDWUTLYWCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008750
c12CC(C)C(NC)c1c(C)n(C)n2	PC-id_112714640,MCULE-6393254434	179.262	KFTDULVKCTWVIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008751
c12C(N)CCc1n(nc2)CC(C)C	MCULE-7161754747,PC-id_102548660,EMOLS-id_46440471	179.262	RQDUIZNXZBZSBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008752
c1(CC(C)N)n2CCCc2c(C)n1	MCULE-3925299908	179.262	KWJSXBNXALAOFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008753
C1(CCN)c2cn(C)nc2CC1C	MCULE-6324725164,PC-id_112714610	179.262	WPAATCSQERVTEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008754
C1(C(CN)C)c2cn[nH]c2CC1C	MCULE-8227792286,PC-id_112714606	179.262	MKMMJLMQAQRSPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008755
c1(CN(C)C)c2CCCc2nn1C	EMOLS-id_324387935,MCULE-1516248276	179.262	AIHGQCCPBFNROL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008756
c1(N)c2C(C)CCc2nn1C(C)C	EMOLS-id_331014307,MCULE-8258000610	179.262	SYAYNSZTRBXQQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008757
CC1CCc2c1nc([nH]2)C(N)(C)C	PC-id_102970196,EMOLS-id_96753556	179.262	OBZAGDMDCROSLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008758
CC1CCc2n1c(nn2)C(C)(C)C	PC-id_139308178,SCHEMBL21153017	179.262	VTXUNRJIJIIPQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008759
Cc1n2CCCc2nc1C(N)(C)C	PC-id_96629081	179.262	ALBRGXSKVWVTMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008760
Cc1nc2c([nH]1)CN(C2)C(C)(C)C	PC-id_89117491,SCHEMBL13562727	179.262	LIFOWDIZUQXAOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008761
Cc1nc(c2n1CCC2)C(N)(C)C	PC-id_96629080	179.262	KKNFQSRMCHXWPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008762
Cc1[nH]nc2c1CN(C2)C(C)(C)C	PC-id_118491749,SCHEMBL17232785	179.262	NGIFWMUBAXBYNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008763
Cc1nn2c(c1)N(CC2)C(C)(C)C	SCHEMBL19449332	179.262	PWDDORUKJXUCIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008764
CC(C1CCc2c1c(C)nn2C)N	PC-id_112714617	179.262	LAFMTAHSVUMLAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008765
CC(C1CCc2c1c(C)n(n2)C)N	PC-id_112714618	179.262	CRKCPIZNEVFQNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008766
CCC1CCc2c1nc([nH]2)[C@@H](N)C	PC-id_102970604	179.262	QHLBUUVLDYGOSS-PKPIPKONSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008767
CCC1CCc2c1nc([nH]2)[C@H](N)C	PC-id_102970615	179.262	QHLBUUVLDYGOSS-ULUSZKPHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008768
CCC1CCc2c1nc([nH]2)C(N)C	PC-id_102970602,EMOLS-id_96753586	179.262	QHLBUUVLDYGOSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008769
CC(c1ccc2n1CCN2C)CN	PC-id_112489352	179.262	CIULBPQLXOTOIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008770
CC(C1C(C)Cc2c1cn(n2)C)N	PC-id_112714614	179.262	JAHOOPCHYVGJMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008771
CC(C1C(C)Cc2c1cnn2C)N	PC-id_112714615	179.262	XTTRDOHTBJDUQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008772
CCc1c(CCN)nn2CCCc12	PC-id_84110072,EMOLS-id_324139062	179.262	DHBOSKHCKBMKHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008773
CC(C1N(C)C(c2c1nc[nH]2)C)C	SCHEMBL18653071	179.262	RXJUPQPXWASWBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008774
CCc1n[nH]c2c1CN(C2)C(C)C	PC-id_137456381,SCHEMBL20695713	179.262	UXFRRTYSOPEJPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008775
CC(C(c1ccn2c1NCC2)N)C	PC-id_112489358	179.262	XUGFIQLXXDEBFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008776
CCC(c1ccn2c1N(C)CC2)N	PC-id_112489361	179.262	CBEXMKQFYBUZJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008777
CC(C)c1c(CN)nn2CCCc12	EMOLS-id_324137527,PC-id_84110071	179.262	QMPVNPFJPXQRPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008778
CCCc1c(CN)nn2CCCc12	PC-id_84110070,EMOLS-id_324137783	179.262	XVPLQFBNWBWMFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008779
CC(Cc1nnc2n1CCC2)(C)C	SCHEMBL7768463,PC-id_59614794	179.262	GCBDIMBLCSAWLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008780
CC(C)c1nn(C)c2CC(N)Cc12	EMOLS-id_337958429	179.262	WDROCNZKXKESPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008781
CCC(c1n[nH]c2c1CCN2)CC	PC-id_6284548,CB5089583	179.262	UEWYGXIWXRBSEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008782
CCCC(c1cnc2n1CCC2)N	EMOLS-id_194690839	179.262	HBSZURSFTILYKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008783
CC(C)(C)[C@H]1C[C@@H](N)c2ccnn12	EMOLS-id_336479590	179.262	GRMITFJVDNNLEH-VXNVDRBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008784
CC(C)(C)[C@@H]1C[C@@H](N)c2ccnn12	EMOLS-id_336480102	179.262	GRMITFJVDNNLEH-APPZFPTMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008785
CC(C)(C)[C@H]1C[C@H](N)c2ccnn12	EMOLS-id_336480870	179.262	GRMITFJVDNNLEH-IONNQARKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008786
CCCCCN1Cc2c(C1)nc[nH]2	SCHEMBL19934455,PC-id_134313832	179.262	FZYBVFDHQBSRRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008787
CC(C[C@H]1NCc2c1cn[nH]2)(C)C	SCHEMBL16921042,PC-id_118244278	179.262	DVEXMFVQSSVLOT-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008788
CC(C)(C)N1Cc2c(C1)n(nc2)C	PC-id_89002494,SCHEMBL13027622	179.262	RVABHALHNQWMDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008789
CCCCn1nc2c(c1N)CCC2	EMOLS-id_41192171,PC-id_65348452	179.262	PTPYBERECPRWSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008790
CC(C)Cn1ncc2c1CC[C@@H]2N	PC-id_97181774,ZINC22_95098096	179.262	RQDUIZNXZBZSBY-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-008791
CC(C)(C)n1ncc2c1CC[C@H]2N	ZINC22_95098077,PC-id_97181757	179.262	LSCQLYKWICBSEV-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008792
CC(C)(C)n1ncc2c1CC[C@@H]2N	ZINC22_95098078,PC-id_97181758	179.262	LSCQLYKWICBSEV-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008793
CC(C)Cn1ncc2c1CC[C@H]2N	ZINC22_95098095,PC-id_97181773	179.262	RQDUIZNXZBZSBY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008794
CC(C)(C)n1ncc2C(N)CCc12	PC-id_102548653,MCULE-3978146367,EMOLS-id_46440449	179.262	LSCQLYKWICBSEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008795
CC(C)Cn1nc(N)c2CCCc12	MCULE-9782216426,EMOLS-id_324385886,PC-id_105438431	179.262	SGGLGNJAHANZNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008796
CC(C)(CN)c1n[nH]c2CCCc12	EMOLS-id_313897300,PC-id_69292381,MCULE-6557344001,SCHEMBL5046743	179.262	URMURDJSAOFTSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008797
CC(CCN)c1n[nH]c2CCCc12	MCULE-4315636113,EMOLS-id_313891155	179.262	MKLJFTIZVYIRMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008798
Brc1oc(c2c1CNC2)C	PC-id_82608041	202.049	JOYGUHIBKXTZJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014897
CC[C@H](c1nc2c([nH]1)CCC2C)N	PC-id_102970200	179.262	GEHWPFZWLSWGEV-COBSHVIPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008799
CC[C@@H](c1nc2c([nH]1)CCC2C)N	PC-id_102970228	179.262	GEHWPFZWLSWGEV-MLWJPKLSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008800
CC(CN1Cc2c(C1)c([nH]n2)C)C	PC-id_118491748,SCHEMBL17232784	179.262	QQTDHWPDPFFQAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008801
CCC(N1Cc2c(C1)c[nH]n2)(C)C	SCHEMBL19203376	179.262	RTTWQVZEKPDFCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008802
CCC(n1nc2c(c1N)CCC2)C	PC-id_65348453,EMOLS-id_41192173	179.262	YDZDPTQOXMBCFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008803
CC(Cn1nc2c(c1N)CCC2)C	PC-id_65348880,EMOLS-id_41192129	179.262	NPWHIFAPFPUERT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008804
CCCn1nc2CCCc2c1CN	EMOLS-id_324388190,MCULE-7788207507	179.262	KMTAWJQYNRQMNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008805
CC(C)n1nc2CCCc2c1CN	EMOLS-id_70118682,MCULE-3599830519,PC-id_112711084	179.262	SBNMKJSZYOGEAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008806
CC(C)n1nc(CN)c2CCCc12	MCULE-2691573970,EMOLS-id_324388692,PC-id_112711039	179.262	KSTXCDAGZOMYLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008807
CC(CNC1CCn2c1ncc2)C	EMOLS-id_194463953	179.262	AETMZFBWYYBBOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008808
CCCNC1CC(n2c1ncc2)C	EMOLS-id_265354661	179.262	CBKYEVUFZZYPKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008809
CCC(NC1CCn2c1ncc2)C	EMOLS-id_265354813	179.262	ADBJZAIFSZOYCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008810
CC(CNc1[nH]nc2c1CCC2)C	EMOLS-id_39560552,PC-id_63049552	179.262	NFHQDTBLRIIDFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008811
CCCNc1[nH]nc2c1CCC2C	PC-id_65046456,EMOLS-id_40959480	179.262	AVMMAKAFTPWKSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008812
CC(C)(N)Cc1cc2CCCn2n1	PC-id_82654205,EMOLS-id_324137270	179.262	UBIYPYXXXHEAEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008813
CCCNCc1[nH]c2c(n1)CCC2	PC-id_63927408,EMOLS-id_40130491	179.262	MMPPNQNZEOLFCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008814
CCCNCc1n[nH]c2c1CCC2	PC-id_61395228,EMOLS-id_38281103	179.262	VPLWFDZLPLHGON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008815
CC(C)(N)Cc1n[nH]c2CCCc12	EMOLS-id_313897556,PC-id_83858889,MCULE-8256454024	179.262	YDNPOGWCYREGEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008816
C[C@@H]1C[C@@H](c2n1c(nn2)C(C)C)C	PC-id_121345540,SCHEMBL17761904	179.262	WBPJMFOLXLTUMO-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008817
C[C@@H]1C[C@@H](n2c1c(nn2)C(C)C)C	SCHEMBL17761906,PC-id_121345542	179.262	UMGGXLMISSFNBO-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008818
C[C@H](N)CCc1n[nH]c2CCCc12	EMOLS-id_313879123,MCULE-1338415904	179.262	PNOCAOQFGXPWFZ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008819
C[C@@H](N)CCc1n[nH]c2CCCc12	MCULE-5751553052,EMOLS-id_313879635	179.262	PNOCAOQFGXPWFZ-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008820
CC(N1Cc2c(C1)c(nn2C)C)C	SCHEMBL19449323	179.262	FDAKUQZYLQMJIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008821
CCN1Cc2c(C1)[nH]nc2C(C)C	SCHEMBL17229674,PC-id_118489208	179.262	JLSVRXINCSVJFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008822
CCN1CCn2c1cc(n2)C(C)C	SCHEMBL14925542,PC-id_89548618	179.262	ZVVQMUBKWYQAKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008823
CCn1nc2c(c1)CN(C2)C(C)C	SCHEMBL19054638	179.262	CXQVAWGJTQRFML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008824
CCn1nc2c(c1N)C(CC2)(C)C	PC-id_79866076,EMOLS-id_42572769	179.262	ZUSKXXUPMDCSGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008825
CCn1nc2CCCc2c1CCN	PC-id_121214367,MCULE-6737323624,EMOLS-id_70118726	179.262	QOALUPNZCWJMKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008826
CCn1nc2CCC(C)c2c1CN	EMOLS-id_331001528,MCULE-1880137119	179.262	UFKDFABFBLKFHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008827
CCn1nc(c2c1C(C)(C)CC2)N	SCHEMBL16446520,PC-id_117858581	179.262	PALDCENRRMIKNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008828
CCn1nc(CN)c2C(C)CCc12	MCULE-2068278734,EMOLS-id_331014393	179.262	WTZXHVFFQNLVRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008829
CC(NC1CC(n2c1ncc2)C)C	EMOLS-id_96772053	179.262	LENDYQSORFCXMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008830
CC(Nc1[nH]nc2c1CCC2)(C)C	EMOLS-id_39560454,PC-id_63049210	179.262	CQWPGAKDRWFGCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008831
CCNc1[nH]nc2c1CCC2(C)C	EMOLS-id_42571351,PC-id_79863047	179.262	INLSQZVLKGSHGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008832
CCNc1[nH]nc2c1CCC2CC	EMOLS-id_96604893,PC-id_116177037	179.262	SIVCJIXPWVRVOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008833
CC(Nc1[nH]nc2c1CCC2C)C	PC-id_65046507,EMOLS-id_40959486	179.262	DTYHCNYPJJAPET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008834
CC(NCc1[nH]c2c(n1)CCC2)C	EMOLS-id_40130511,PC-id_63927795	179.262	DNCCEWYVWFVGQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008835
CC(NCc1n[nH]c2c1CCC2)C	PC-id_61395229,EMOLS-id_38281105	179.262	QICTYWGWKDJXGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008836
CC(N)CCc1n[nH]c2CCCc12	MCULE-8273420846,EMOLS-id_313879379	179.262	PNOCAOQFGXPWFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008837
CN1Cc2c(C1)cn(n2)C(C)(C)C	SCHEMBL19498003	179.262	IVOBVRAHZURUBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008838
CN1Cc2c(C1)n(nc2C(C)C)C	SCHEMBL17229739,PC-id_118489266	179.262	CQBJJYHQHRXSQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008839
CN1Cc2c(C1)n(nc2C)C(C)C	SCHEMBL17624353,PC-id_118974331	179.262	RNYQYPKNKIBCLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008840
CN1Cc2c(C1)n(nc2)C(C)(C)C	SCHEMBL19498004	179.262	JRHYXVAFKHUBEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008841
CN1CCn2c1ccc2C(N)(C)C	PC-id_96629082	179.262	NFPZPUYDNNVGOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008842
CN1CCn2c1ncc2C(C)(C)C	PC-id_68056237,SCHEMBL10183114	179.262	DLUBUSZJUUYYIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008843
Cn1nc2c(c1)CN(C2)C(C)(C)C	SCHEMBL18015998,PC-id_122488106	179.262	XONJHQACMXCWLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008844
CNC1CCc2c1nn(c2)C(C)C	PC-id_112712282	179.262	QKDZPUBERHAKRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008845
CNC1C(C)Cc2c1c(C)nn2C	PC-id_112714639	179.262	KZTFFNVXDZNVRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008846
CNc1[nH]nc2c1C(C)(C)CC2C	PC-id_106664104,EMOLS-id_96721589	179.262	LYTQUZRSHJVPIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008847
CNc1n(nc2c1CCC2)C(C)C	PC-id_112711069	179.262	ZYACHYPEPWXDTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008848
CNCC1CCc2c1c(C)n(n2)C	PC-id_112714624	179.262	CJZJYBWNMNFAHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008849
CNCC1C(C)Cc2c1c(C)[nH]n2	PC-id_112714620	179.262	OASXMWCDCNUNBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008850
CNCC1C(C)Cc2c1cn(n2)C	PC-id_112714622	179.262	PTCXRCQYQXLCJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008851
CNCC1C(C)Cc2c1cnn2C	PC-id_112714623	179.262	YDCCPDRBIGCPSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008852
CNCc1nc2c([nH]1)CCC2(C)C	EMOLS-id_42571503,PC-id_79863804	179.262	FBNFGLVXRCINHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008853
CNCCc1c(C)nc2n1CCC2	EMOLS-id_313600163,PC-id_112545548	179.262	PXFVXYMVGIZUID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008854
CNCCc1nc2n(c1C)CCC2	PC-id_96743331	179.262	FVDVRCWQZGYVPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008855
CNC(C)(C)c1n[nH]c2CCCc12	EMOLS-id_313872209,MCULE-3505309476	179.262	ZAFHEIZCMGWQQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008856
n12C(CCc1c(nc2)C(C)C)CN	PC-id_82409321	179.262	FTHQVLNPJAEWJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008857
n12c(CCC1)c(nc2C)CCCN	PC-id_82600301	179.262	IMIYPNHKUCLSRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008858
n12c(CCC1)c(nc2C)CCNC	PC-id_82600300	179.262	WIWDZGUFZRAQPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008859
n12c(CCC1)c(nc2C)C(CN)C	PC-id_82600302	179.262	QAIZHXMPFVNILW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008860
n12c(CCC1)c(nc2CCCN)C	PC-id_82654178	179.262	IWQGXQOVXIVBSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008861
n12c(CCC1)c(nc2CCNC)C	PC-id_82654163	179.262	OBJCOCRBAWICQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008862
n12c(CCC1)c(nc2C(CN)C)C	PC-id_82654187	179.262	HSPUXVCFKOFZEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008863
n12c(CCC1)c(nc2CN)CCC	PC-id_84110045	179.262	ZRENHPPFLJHEDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008864
n12c(CCC1)c(nc2CN)C(C)C	PC-id_84110046	179.262	NALNNDMIPZMTDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008865
n12c(CCC1)c(nc2CNC)CC	PC-id_84110047	179.262	GCSGLCFJUPDNCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008866
n12c(C(CC1)CN)c(nc2)C(C)C	PC-id_82409322	179.262	WOBMXTKSOBKABF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008867
n12CC(N)Cc1nc(C(C)(C)C)c2	PC-id_82409390	179.262	CPIHDFJEOTYZMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008868
n1(c2CCCc2nc1CCCN)C	PC-id_82463404	179.262	MYWCPRHMNMISBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008869
n1(c2CCCc2nc1CCN)CC	PC-id_82463409	179.262	XCXXSLOVLASSIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008870
n1(c2CCCc2nc1CC(N)C)C	PC-id_83846464	179.262	IECISKBEDLFCJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008871
n1(c2CCCc2nc1C(N)C)CC	PC-id_82463408	179.262	HRBBTJOXPOONQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008872
n1(c2C(CCc2nc1)CN)C(C)C	PC-id_83875271	179.262	FOSVLEKBJCJTNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008873
n1(c2CCC(c2nc1)CN)C(C)C	PC-id_83875277	179.262	WDHVIWDTZHFHBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008874
n1(c2CCC(NC)c2nc1)C(C)C	PC-id_83875278	179.262	IDYYAEWGHCHQCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008875
n1(c2C(NC)CCc2nc1)C(C)C	PC-id_83875272	179.262	ZWSQKCUWEGGCCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008876
N1(Cc2c([nH]c(c2CCN)C)C1)C	PC-id_84768003	179.262	VCXDVLTZXCIPBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008877
N1C(c2c(nn(CC(C)C)c2)C1)C	PC-id_82409333	179.262	NKXUYDVYAJWOID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008878
n1c(CC)c2n(CCC2)c1CCN	PC-id_84110044,MCULE-8978702475	179.262	WYGPUCQAHUXEHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008879
n1(CC(C)C)c(C)c2c(CNC2)n1	PC-id_96629064,MCULE-5447344718	179.262	NJLKYCWLDGXIHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008880
n1(nc2c(c1C(C)(C)C)CNC2)C	PC-id_83846457	179.262	SVUSFKJMXFZEHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008881
n1(nc2c(c1CC(C)C)CNC2)C	PC-id_83846458	179.262	KIICNELMHQDRNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008882
n1(nc2c(CCC2)c1CCNC)C	PC-id_84657140	179.262	BPBLIEGJJRQRQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008883
n1(nc2c(CCC2)c1N)C(C)(C)C	SCHEMBL4170962,EMOLS-id_40905685,PC-id_64989016	179.262	FZQNLCMQFJAXTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008884
n1(nc2c(C(CC2)C(C)C)c1N)C	PC-id_84022261	179.262	BRCYFCPRRVXNAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008885
n1(nc2c(C(CC2)CCN)c1C)C	PC-id_83906372	179.262	ZVERAPOXUIOZTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008886
n1(nc2c(C(CC2)C(CN)C)c1)C	PC-id_83906370	179.262	SQHRLFAEXLGMDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008887
n1(nc2c(C(N)CC2)c1C(C)C)C	PC-id_83906381	179.262	UOVWMDMZKGQGPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008888
n1(nc(c2c1CCC2)CCNC)C	PC-id_84657138	179.262	YOCHGBONSSBBIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008889
n1(ncc2c1C(CC2)CN)C(C)C	PC-id_83875268	179.262	VPYOOQCIGMLNGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008890
n1(nc(c2c1CNC2)CC(C)C)C	PC-id_83846456	179.262	HFKILZAQTWJRBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008891
n1(ncc2c1C(NC)CC2)C(C)C	PC-id_83875269	179.262	GNEJTWSWASTORM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008892
n1(nc(c2C(CCc12)CCN)C)C	PC-id_83861588	179.262	QIOQHRAJLYBTDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008893
n1(ncc2C(CCc12)C(CN)C)C	PC-id_83906371	179.262	QUNZQOSZUBRFCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008894
n1(ncc2C(CCc12)CN)C(C)C	PC-id_83861439	179.262	RFKKUFJOILMMQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008895
n1(nc(c2C(CCc12)CN)CC)C	PC-id_83861564	179.262	VATHWQIPWLBPKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008896
n1(nc(c2C(CCc12)CNC)C)C	PC-id_83861590	179.262	YJTBVAFIAQPQOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008897
n1(nc(c2C(N)CCc12)C)C(C)C	PC-id_83861441	179.262	SFNAUZGCPSPRMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008898
n1(nc(c2C(N)CCc12)C(C)C)C	PC-id_83861601	179.262	VOQZHDRGIWSUPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008899
n1(ncc2C(NC)CCc12)C(C)C	PC-id_83861434	179.262	HQRJXNNWKIDYJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008900
n1(nc(c2C(NC)CCc12)CC)C	PC-id_83861559	179.262	UMURWAOJAZZGEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008901
n1(nc(C(C)(C)C)c2c1CNC2)C	PC-id_83846455	179.262	XEKVUJCUYFWMNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008902
n1(nc(NC)c2c1CCC2)C(C)C	PC-id_83862148	179.262	NABDGPXSEGENSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008903
n1[nH]c(c2C(CCc12)C(CN)C)C	PC-id_83906368	179.262	GAMWDMFVVQSDNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008904
N(C1c2c([nH]nc2C(C)C)CC1)C	PC-id_83861649	179.262	MADHOYLPSIYVKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008905
Nc1nn(c2c1CCC2)C(C)(C)C	PC-id_105438430	179.262	CLRQLDQLKZBCIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008906
NCC1CCc2c1nn(c2)C(C)C	PC-id_112712281	179.262	KGJIYMCGAUFXDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008907
NCCC1C(C)Cc2c1c(C)[nH]n2	PC-id_112714608	179.262	XZPWNASCHWNZMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008908
NCCC1C(C)Cc2c1cnn2C	PC-id_112714611	179.262	BHORYUQLVBUVIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008909
NCCc1nc2c([nH]1)CCC2CC	EMOLS-id_194578497,PC-id_102970660	179.262	MYEUCFIMBUMDLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008910
NCCCc1nc2n(c1C)CCC2	PC-id_96629079	179.262	WLEILIZOCLXECJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008911
NCCCCc1n[nH]c2CCCc12	EMOLS-id_313870162,MCULE-5187160365	179.262	CIHSTLIJGCGJLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008912
[nH]1c2c(c(c1C(C)C)CN)CNC2	PC-id_84768002	179.262	GYCYFCRNODCVAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008913
[nH]1c2CC(C(C)(C)C)Cc2nc1N	PC-id_20628112	179.262	AQGIHLMZSJWWOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008914
[nH]1nc2c(CCC2N)c1CC(C)C	PC-id_82409370	179.262	CSWTXFYVHKDBOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008915
[nH]1nc(c2CCCc12)CC(CN)C	PC-id_83858895	179.262	HORZQUMOMQYZLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008916
[nH]1nc(c2C(CCc12)CCN)CC	PC-id_83861614	179.262	RCMDVKZQBPNVIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008917
[nH]1nc(c2CCCc12)[C@@H](N)C(C)C	PC-id_83858866	179.262	VQRXLQBJJBVHDZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-008918
[nH]1nc(c2CCCc12)C(N)C(C)C	PC-id_83846436	179.262	VQRXLQBJJBVHDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008919
[nH]1nc(c2C(CCc12)CNC)CC	PC-id_83861616	179.262	LCABYASRNMCGMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008920
[nH]1nc(c2C(CCc12)CN)C(C)C	PC-id_83861654	179.262	FZRFXJHGKJZTIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008921
[nH]1nc(c2CCC(N)c12)C(C)(C)C	PC-id_82409371	179.262	GICJJTNUBCNAAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008922
[nH]1nc(c2CC(N)Cc12)CC(C)C	PC-id_82409369	179.262	LMEZIXYVGSHNHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008923
[nH]1nc(c2CC(N)Cc12)C(C)(C)C	PC-id_82409373	179.262	XWUGSSCUHYKOOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008924
[nH]1nc(c2C(N)CCc12)C(C)(C)C	PC-id_83861620	179.262	YIANPVSUQVJHAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008925
c1cc2c(s1)C(CC2)NC1CC1	EMOLS-id_96585328,PC-id_83906389	179.282	KNBBPJILRWSXPN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008926
Cc1nc2c(s1)C(C(=C2)C)(C)C	PC-id_118579522,SCHEMBL17339881	179.282	KJJBXANDDQFSIM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008927
Cc1sc2c(n1)C(C(=C2)C)(C)C	SCHEMBL17339872,PC-id_118579516	179.282	MQIXEMUBWUVAIA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008928
C=CC(c1sc2c(c1)CCC2)N	EMOLS-id_96561474,PC-id_105000681	179.282	CJGYSAYZVXXKNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008929
C=CCNC1CCc2c1scc2	EMOLS-id_194590589	179.282	FBACJYAPNBNINF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008930
NCC(=C)c1cc2CCCc2s1	EMOLS-id_313792973,MCULE-4325088367	179.282	VTSBGKCACJMQCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008931
NCC=Cc1cc2CCCc2s1	MCULE-1614167480,EMOLS-id_313792205	179.282	NUFKRCQATKPAQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008932
s1c2C(C(=Nc2cc1C)C)(C)C	PC-id_12101555	179.282	BUCPEAAZNCROOX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008933
s1c2c(C(NC3CC3)CC2)cc1	PC-id_83906391	179.282	HTHBWVXSMCVMIU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008934
s1cc2C(NC3CC3)CCc2c1	PC-id_83906390	179.282	KEAPQYWDZDQXIX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-008935
C1c2c(c[s+]s2)SS1	PC-id_135082197	179.327	ULHXWVGUBPOMDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008936
C1Sc2c(S1)sc[s+]2	PC-id_100947377	179.327	GLGGDOWYVWGRPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008937
CN1C=C(C2=C1CNC2=O)C(=O)O	PC-id_153956637	180.053	IWHLCZYUBSWIOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008938
COC(=O)C1=CN=C2N1CCC2=O	PC-id_154575155	180.053	NBTRKCCHFLOZBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008939
CC1C(=O)NC2=NC=C(N12)C(=O)N	PC-id_154310098	180.065	BDZARGPIXFDTQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008940
CC1(C2=C(CN1)C=NN2C(=O)[O-])C	PC-id_161785891	180.078	XQSWEFRYEQZWFC-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-008941
CC1(C2=C(CN1C(=O)[O-])C=NN2)C	PC-id_154104698	180.078	MMXZONHIRXEIIZ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-008942
CC1C2=C(CN1)N(N=C2C)C(=O)[O-]	PC-id_160673159	180.078	RNESJAWBNKPKRV-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-008943
CC1C2=C(N(N=C2CN1)C(=O)[O-])C	PC-id_154108947	180.078	LZEAMTDRBCPWFY-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-008944
CC1(C2=NN(C=C2CN1)C(=O)[O-])C	PC-id_154068510	180.078	RNBSGNRRWPMKAW-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-008945
CC1=NN(C2=C1CN(C2)C(=O)[O-])C	PC-id_154098732	180.078	FLBYAJQCAVNDHF-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-008946
CC1=C2CC(CC2=CS1)C(C)C	PC-id_152965826	180.097	URMLMONECBXQIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008947
CC1=CSC2=C1CC(C2)C(C)C	PC-id_163598343	180.097	GVKQDKLEXVULAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008948
CCC(=O)NC1=C2NCCN2N=C1	PC-id_153780615	180.101	VYXDHZDVPNJDAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008950
CCOC1=NN2C(C(=NC2=C1)C)N	PC-id_153802425	180.101	XQYSVTOYSUEZRZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008951
c1(C(=O)O)c(C)oc2CCC(=O)c12	EMOLS-id_31521778,PC-id_53215411,ZINC22_49474225,MCULE-4202930077	180.157	NFQXEHOPHGZPLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008952
o1c2c(C(CC2=O)CC(=O)O)cc1	PC-id_84049409	180.157	WZWZWAQHFNWSQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008953
o1c2CCC(=O)c2cc1CC(=O)O	PC-id_82600458	180.157	OJECCWKKAAAQCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008954
o1c2C(CC(=O)c2cc1)CC(=O)O	PC-id_84049410	180.157	LXPUHAWPOFNCTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008955
o1c2CCC(=O)c2c(c1C(=O)O)C	PC-id_82378226	180.157	OMQOLNUNUIIEGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008956
o1c(c2c(CCC2=O)c1C(=O)O)C	PC-id_82376313	180.157	ASOLVHCBJBKGHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008957
CC1=c2c(cc(=C(O)O)[nH]2)C(=O)N1	PC-id_91241304	180.161	UATULNQILFPPGO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008958
CC1C(=c2cc([nH]c2=N1)O)C(=O)O	PC-id_137182461	180.161	KONRZLXKTOSVLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008959
CC1NC(=O)c2c1[nH]c(c2)C(=O)O	PC-id_68402492,SCHEMBL12844768	180.161	BZZGGRTZZMGBIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008960
C[C@@H]1NC(=O)c2c1[nH]c(c2)C(=O)O	SCHEMBL12777373,PC-id_57659946	180.161	BZZGGRTZZMGBIW-VKHMYHEASA-N	00000010100000000000000010000000000000000000000000000000	25-01-008961
COC(=O)C1Cn2c(C1=O)ccn2	PC-id_140943307	180.161	MRXIORACYGXZLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008962
O=C1c2c([nH]nc2CC(=O)O)CC1	PC-id_83863446	180.161	SUHLLRZJXKHRFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008963
O=C1c2c(n(nc2C(=O)O)C)CC1	PC-id_83863441	180.161	PVYJUZIPIZLDBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008964
O=C1c2c(nn(c2C(=O)O)C)CC1	PC-id_83863659	180.161	ABZQXWGSCGEFFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008965
O=C1c2n(CC1)cc([N+](=O)[O-])c2C	PC-id_11332823	180.161	KZPOJPKEZCNVEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008966
O=C1c2n(CC1)c([N+](=O)[O-])cc2C	PC-id_85825160	180.161	IETWULAXHNDWAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008967
O=C1Nc2c(C1C)cc([nH]2)C(=O)O	SCHEMBL8159269,PC-id_70291054	180.161	RCLDDBCHCYOQBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008968
O=C1Nc2c(C1C)[nH]c(c2)C(=O)O	PC-id_70287407,SCHEMBL8145084	180.161	PHFKRAWDUWLKQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008969
O=C1Nc2c([C@H]1C)cc([nH]2)C(=O)O	SCHEMBL12777374,PC-id_57659836	180.161	RCLDDBCHCYOQBX-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008970
O=C1Nc2c([C@@H]1C)[nH]c(c2)C(=O)O	PC-id_57659869,SCHEMBL12777371	180.161	PHFKRAWDUWLKQZ-VKHMYHEASA-N	00000010100000000000000010000000000000000000000000000000	25-01-008971
OC(=O)c1c(C=O)nc2CCCn12	MCULE-6353101805,EMOLS-id_276854238	180.161	HXSDXIZRPJCIPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008972
OC(=O)c1c(C=O)nn2CCCc12	EMOLS-id_324138553	180.161	HKUSBKREUJSNKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008973
Brc1sc2c(CNC2)c1	PC-id_82396771	204.088	HBVUXWPRBKGVTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015143
OC(=O)c1nc2CCCn2c1C=O	MCULE-5346302368,EMOLS-id_276854272	180.161	BBDZWNFAGUGHAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008974
OC(=O)c1nn2CCCc2c1C=O	EMOLS-id_324138297	180.161	WYYMBKAQXSOPBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008975
OC(=O)C(=O)c1n[nH]c2CCCc12	EMOLS-id_313890387,MCULE-2405725573	180.161	DWGRPOWTWKYHOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008976
CC1=Nc2n(C1)nc(c2N)C(=O)O	PC-id_69731082,SCHEMBL6279749	180.164	KTKWDTDFQJHBGD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008977
CCC1N=Nc2n1nc(c2)C(=O)O	PC-id_67340620,SCHEMBL2266161	180.164	KRBAIDZWWVQNTG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008978
NC(=O)C(=O)c1n[nH]c2c1CNC2	PC-id_142735025	180.164	GRGUYNUTXRIGJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008979
O=C1n2c(nnc2C(=O)N1)C(C)C	PC-id_57839188,SCHEMBL13687214	180.164	KPVAUHMARJLNKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008980
O=C1NCc2c1n(nc2C)C(=O)N	PC-id_141428182	180.164	FAAGHZPRMMYFHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008981
O=C1NCc2c1nn(c2C)C(=O)N	PC-id_141428203	180.164	YCYHQCZNCSWKDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008982
O=C1N(CCN)C(=O)c2n1cnc2	PC-id_83680794	180.164	PCBUGUIGAPNLOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008983
O=C1N(C(=O)c2nn(c(N)c12)C)C	PC-id_83816886	180.164	NJXIGIWYPMUVJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008984
c1csc2c1C(=O)C(C2=O)C=O	PC-id_90704464	180.181	HXUYYJLHMRVKJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008985
O=CC1=C(O)c2c(C1=O)scc2	SCHEMBL5193115	180.181	WSZNBAYOTNFPIH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008986
OC(=O)C1=Cc2c(C1=O)ccs2	PC-id_141574706	180.181	NOSLBHVPJBPMEU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-008987
s1c2c(C(=O)C(=CO)C2=O)cc1	PC-id_23147989	180.181	GQGVYNAABXHKTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008988
O=C1[n+]2n(c(c(c2C)C)C)C(=O)N1	PC-id_12826465	180.184	MYFJDZSJINXUJS-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-008989
O=C1[n+]2n(c(cc2C)C)C(=O)N1C	PC-id_14041882	180.184	SQGULEPIUKETMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-008990
NC1=C(CCO)c2c([N]1)nc([nH]2)N	SCHEMBL6028116	180.187	LXVWJSLPJACVAV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-008991
c12C(=O)OCc1coc2CCCC	ZINC22_36459048,MCULE-2894004091,EMOLS-id_324118041,PC-id_11819631	180.2	XLGBHFKERAULGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008992
CC1Cc2c(C1CC(=O)O)cco2	PC-id_112714662	180.2	TVNXQGHDXIDENI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008993
CC1Cc2c(C1CC(=O)O)coc2	PC-id_112714661	180.2	XSDWTKQDXVSWDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008994
CC1Cc2c(C1C(=O)O)cc(o2)C	PC-id_112714667	180.2	YNMYPXRKUWRCKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008995
CC1Cc2c(C1C(=O)O)oc(c2)C	PC-id_112714664	180.2	PRIAISQOCNBSFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008996
CCOC(=O)C1Cc2c(C1)coc2	SCHEMBL7815582,PC-id_15814403	180.2	FHKQGVPJETVYNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008997
o1c2CC(Cc2cc1)C(C)C(=O)O	PC-id_82409153	180.2	VTBUTNPQCZJBKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008998
o1c2c(CCC2)c(c1C)CC(=O)O	PC-id_82409183	180.2	DOZIJOTZPPFBDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-008999
o1c2c(CCC2)cc1C(C)C(=O)O	PC-id_82600502	180.2	MGXABFKQQXEGQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009000
o1c2c(CCC2)cc1CCC(=O)O	PC-id_82600503	180.2	SDWXGDVHMQWCRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009001
o1c2c(CCC2)c(c1CC)C(=O)O	PC-id_83610194	180.2	NOVYBXITBAZDLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009002
o1c2C(CCc2cc1C)CC(=O)O	PC-id_83906420	180.2	USZYZVWZPBKBFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009003
o1c2C(CCc2cc1)C(C)C(=O)O	PC-id_83906423	180.2	MSFNTNFKTRMFSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009004
o1c2C(CCc2cc1CC)C(=O)O	PC-id_83906426	180.2	YZBXHYRPQKODKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009005
o1c2c(CCC2)c(c1COC)C=O	PC-id_83610049	180.2	KJQPCWYQDJZSBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009006
o1c2C(CCc2cc1)C(=O)OCC	PC-id_11389749	180.2	DAFQLXPMJBKMIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009007
o1c2c(C(CC2)C(C)C(=O)O)cc1	PC-id_82409154	180.2	UFOHBTAKZXNOOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009008
o1c2c(C(CC2)CC(=O)O)cc1C	PC-id_83906422	180.2	KPEFIRDVVUWEIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009009
o1c2c(C(CC2)C(=O)O)cc1CC	PC-id_83906427	180.2	YDQPCIPWHRWBQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009010
o1cc2C(CCc2c1)C(C)C(=O)O	PC-id_83906424	180.2	UIXZHVVYPNYYOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009011
o1c(c2CCCc2c1)C(=O)OCC	PC-id_23255517	180.2	YWEVDPGJILPXOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009012
o1c(CC(C)C)c2c(COC2=O)c1	PC-id_10081000	180.2	QZSMAJHINRVMRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009013
OC(=O)CC1C(C)Cc2c1occ2	PC-id_112714660	180.2	UHABCZRGRBBVCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009014
c12CC(Cc1cnn2C)C(=O)OC	MCULE-8486489720,EMOLS-id_54823588,PC-id_119053631	180.204	QUJOVVGQSIRSHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009015
c12c(CCC1C(=O)O)cnn2CC	EMOLS-id_64019705,MCULE-2097635671,PC-id_105438642	180.204	RPIWGJAJHSDHKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009016
c12CC(Cc1nn(C)c2)C(=O)OC	MCULE-3440811873,EMOLS-id_54823594,PC-id_119053632	180.204	KABJOKRWRXDUOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009017
c12cn(nc1CCC2C(=O)OC)C	MCULE-1497144674,PC-id_119053633,EMOLS-id_54823596	180.204	PUVYTSSJKURBLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009018
c12cn[nH]c1CC(C(=O)OCC)C2	EMOLS-id_317436460,MCULE-5496869193	180.204	AMAYIVZZRUBMGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009019
c1(C(=O)O)c2CCCc2nn1CC	PC-id_82280768,ZINC22_71498132,EMOLS-id_70118638,MCULE-3899244583	180.204	QDJKATWAQMBVRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009020
c1(C(=O)O)c2C(C)CCc2n(C)n1	EMOLS-id_330989049,MCULE-7538471912	180.204	GINHXOMSDXYKLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009021
c1(C(=O)O)c2C(C)CCc2nn1C	EMOLS-id_330969275,MCULE-3091956736	180.204	RYJNUMJTETWGRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009022
c1(C(=O)O)c2CCCn2c(CC)n1	PC-id_84110128,MCULE-1918000454	180.204	ILGIOPDGXKFPRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009023
c1(C(=O)OC)c2CCCc2n(C)n1	MCULE-5924674545,EMOLS-id_324389969	180.204	IAZXXTKLVKGFFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009024
c1(C(=O)OC)c2CCCc2nn1C	EMOLS-id_70118646,PC-id_121214338,MCULE-3303251362	180.204	JKOZHSMYQFWDBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009025
c1(C(=O)OCC)c2CCCc2n[nH]1	MCULE-4492611384,SCHEMBL5079536,EMOLS-id_30100333,SCHEMBL17927711,PC-id_23005643,TIMTEC327788,EMOLS-id_30488742,ZINC22_26545502,SPECS-id_AT-084/J179322,SPECS-id_AN-153/KC16178	180.204	NDGAORNQTOHHSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009026
c1(C(=O)OCC)cc2n(CCC2)n1	ZINC22_39310772,SCHEMBL2929174,MCULE-7668341260,PC-id_12841166,EMOLS-id_43552941	180.204	MGGGSJRWNQFCLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009027
c1(C(=O)OCC)cn2c(CCC2)n1	ZINC22_196246137,SCHEMBL12443590,MCULE-4136435613,EMOLS-id_64018025,PC-id_12745957	180.204	GNHHCFKOGRVRHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009028
c1(C(=O)OC)[nH]nc2CCC(C)c12	EMOLS-id_330979251,MCULE-4009770967	180.204	HPMOGGHHVOEJNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009029
Cc1c2CC(Cc2n[nH]1)C(=O)OC	PC-id_134168016,SCHEMBL19768749	180.204	BWQSZFOQTVHUAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009030
CC1(c2n[nH]c(C(=O)O)c2CC1)C	SCHEMBL1149561,ZINC22_28948732,EMOLS-id_114452623,MCULE-8691850093,EMOLS-id_41255909,CHEMBL247280,PC-id_11845293	180.204	BIMCDANXJQCRMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009031
CC1Cc2c(C1CC(=O)O)cn[nH]2	PC-id_112714669	180.204	YBORLLHLHYCTPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009032
CC1Cc2c(C1C(=O)O)c([nH]n2)C	PC-id_112714671	180.204	PTTQDQWFTDGRCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009033
CC1Cc2c(C1C(=O)O)cn(n2)C	PC-id_112714673	180.204	XKFDXVVEIBDICY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009034
CC1Cc2c(C1C(=O)O)cnn2C	PC-id_112714674	180.204	GFPOCEWKVSYTSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009035
CC1Cc2c(C1(N)C(=O)O)c[nH]c2	PC-id_112714668	180.204	WYZFZRZWZPWRSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009036
Cc1cc2C(CC(=O)O)CCn2n1	EMOLS-id_324140087,PC-id_84657326	180.204	UPXDLNFLBSDSMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009037
Cc1cc2c(s1)C=C([N]2)C(=O)O	EMOLS-id_313822312	180.204	QSHXZDJYEYIDQW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009038
CC1CCc2c1cnn2CC(=O)O	EMOLS-id_331019493,MCULE-8336926662	180.204	MKWQRHFCNBOTHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009039
CC1CCc2c1nn(c2C(=O)O)C	PC-id_14852813,SCHEMBL7996873	180.204	ACHPYDKVKJXTRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009040
CC1(C)Cc2c(cnn2C1)C(=O)O	EMOLS-id_324138807	180.204	FRLUDOZMMBPWCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009041
CC1(C)Cc2cc(nn2C1)C(=O)O	PC-id_21941368,EMOLS-id_324139064	180.204	MJCKDDAFDSKHQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009042
CC1(C)Cc2[nH]nc(C(=O)O)c2C1	EMOLS-id_331340045	180.204	WYFIXVIBCGLXLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009043
CC1CCc2nn(CC(=O)O)cc12	EMOLS-id_331002536,MCULE-2884015348	180.204	PTLXLMOTEMRHLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009044
Cc1c(CC(=O)O)nn2CCCc12	PC-id_84110150,EMOLS-id_324138808	180.204	MSOGMBNANCVUFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009045
Cc1cnn2CCC(CC(=O)O)c12	EMOLS-id_324139832,PC-id_84657327	180.204	AEYMIRRHWNBKDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009046
Brc1scc2c1CNC2	PC-id_82396770	204.088	IWNVZSCYKDGWJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015144
CCc1c(nn2CCCc12)C(=O)O	EMOLS-id_324137785,PC-id_84110149	180.204	TUVDACXYJRWSNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009047
CCc1nn2CCCc2c1C(=O)O	SCHEMBL15528192,EMOLS-id_324138296,PC-id_90010548	180.204	UOFVSFLQNPLPOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009048
CCc1n[nH]c2c1CC(C2)C(=O)O	PC-id_112489341	180.204	DETNMRJQZXJYNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009049
CCCc1nc2c(n1C)C(=O)OC2	PC-id_141050614	180.204	JAQHTDUOYYLKIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009050
CC(C)n1nc2COCc2c1C=O	PC-id_112711150,EMOLS-id_324402007,MCULE-7704715477	180.204	NQCIJDKMEPBHPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009051
CC(C(=O)O)c1cc2CCCn2n1	EMOLS-id_324140342,PC-id_82654288	180.204	YPCNJTBWGDXTAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009052
CC(C(=O)O)c1cnc2CCCn12	EMOLS-id_194749075,PC-id_112489332,MCULE-1976421051	180.204	LJALOXLQNLUAFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009053
CC(C(=O)O)c1n[nH]c2CCCc12	MCULE-4949540891,EMOLS-id_313892691,PC-id_82408991	180.204	CKRKNQLNIFYJMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009054
CCn1ncc2c1[C@H](C(=O)O)CC2	ZINC22_256053479	180.204	RPIWGJAJHSDHKX-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009055
CCn1ncc2c1[C@@H](C(=O)O)CC2	ZINC22_256053480	180.204	RPIWGJAJHSDHKX-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009056
CCOC(=O)C1Cc2ccnn2C1	EMOLS-id_324139831	180.204	HRSFGYZRUHWSTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009057
CCOC(=O)C1CCc2c1[nH]cn2	PC-id_69566510,SCHEMBL5790412	180.204	FREBHFDFCKQLEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009058
CCOC(=O)C1CCn2nccc12	EMOLS-id_324140089	180.204	OIDDMEDVTAMJMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009059
CCOC(=O)c1cnn2c1CCC2	ZINC22_95630424,EMOLS-id_44461985,SCHEMBL4820236,PC-id_12841167,MCULE-8410088375	180.204	ZWHDQPNZDVSPGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009060
CCOC(=O)c1ncc2CCCn12	MCULE-2165043946,SCHEMBL18039533,PC-id_122508640,EMOLS-id_110793676	180.204	JXGDIDLSXSHCCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009061
CCOC(=O)[C@@H]1CCc2c1nc[nH]2	PC-id_97053219	180.204	FREBHFDFCKQLEQ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009062
CCOC(=O)[C@H]1CCc2c1nc[nH]2	PC-id_97053220	180.204	FREBHFDFCKQLEQ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009063
CN1Cc2c(C1)c([nH]c2)CC(=O)O	PC-id_96743783	180.204	ZIJDDBOLQRHZRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009064
Cn1cc2C(N)CCc2c1C(=O)O	EMOLS-id_323999648	180.204	FVMDTDBNFVSOID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009065
Cn1c(CC(=O)O)c2CCCc2n1	MCULE-1135114067,EMOLS-id_70103235,PC-id_83862497	180.204	KPAVGFHYXFEXCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009066
CN1CCn2c1ccc2CC(=O)O	PC-id_96628827	180.204	BEKKYXWTDGMEGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009067
Cn1nc(CC(=O)O)c2CCCc12	EMOLS-id_337957145,PC-id_83862236	180.204	QCHODMNJZWNXMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009068
CNC1Cc2c(C1)cc([nH]2)C(=O)O	SCHEMBL8168290,PC-id_70293005	180.204	RPVYQZCSBQNUBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009069
CNC1CCc2c1cc([nH]2)C(=O)O	PC-id_68402315,SCHEMBL12844476	180.204	UDPOXMWOIAVEQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009070
CNC1CCc2c1[nH]c(c2)C(=O)O	PC-id_70292099,SCHEMBL8163951	180.204	FNYMECKCXHMFDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009071
CN[C@H]1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_57659931,SCHEMBL12777452	180.204	RPVYQZCSBQNUBA-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009072
CN[C@H]1CCc2c1cc([nH]2)C(=O)O	PC-id_57659910,SCHEMBL12777472	180.204	UDPOXMWOIAVEQC-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-009073
CN[C@@H]1CCc2c1[nH]c(c2)C(=O)O	PC-id_57659881,SCHEMBL12777456	180.204	FNYMECKCXHMFDP-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009074
COC(=O)C1Cc2cc(C)nn2C1	EMOLS-id_324139833	180.204	JDARYTZXXPVTNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009075
COC(=O)c1cnc2n1CC[C@H]2C	PC-id_141529366	180.204	YVEHFQUIFXQVIU-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009076
COC(=O)C1=Nc2c([CH]1)scc2	EMOLS-id_317658586	180.204	OCRAAKBWKXNKRH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009077
COC(=O)c1nc(c2n1CCC2)C	PC-id_145143361	180.204	HBRIUZXLHSKMGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009078
COC(=O)c1[nH]c2CCCc2c1N	EMOLS-id_330779910	180.204	SMUOWCXWFTUFSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009079
COC(=O)c1[nH]cc2C(N)CCc12	EMOLS-id_323998880	180.204	BDNSXOVHDCHZBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009080
COC(=O)c1n[nH]c2c1CCC2C	SCHEMBL8283479,PC-id_70332988	180.204	OGUDPHLIAXYYRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009081
COC(=O)Cc1cc2CCCn2n1	EMOLS-id_324138041	180.204	JTENCTHBMSQHTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009082
COC(=O)CC1Cc2c[nH]nc2C1	EMOLS-id_337429720,PC-id_86033371	180.204	MXUKOSNVHQPEAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009083
COC(=O)CC1CCc2[nH]ncc12	EMOLS-id_337429464,PC-id_86033368	180.204	LYJLJDIDDITBOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009084
COC(=O)CC1CCn2nccc12	EMOLS-id_324139575	180.204	SLYHRNIFRNUIHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009085
COC(=O)[C@@H]1Cc2cn(C)nc2C1	ZINC22_225795999	180.204	KABJOKRWRXDUOC-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009086
COC(=O)[C@H]1Cc2cn(C)nc2C1	ZINC22_225796013	180.204	KABJOKRWRXDUOC-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009087
COC(=O)[C@@H]1Cc2cnn(C)c2C1	ZINC22_225795937	180.204	QUJOVVGQSIRSHV-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009088
COC(=O)[C@H]1Cc2cnn(C)c2C1	ZINC22_225795958	180.204	QUJOVVGQSIRSHV-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009089
COC(=O)[C@@H]1CCc2nn(C)cc12	ZINC22_225796033	180.204	PUVYTSSJKURBLL-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009090
COC(=O)[C@H]1CCc2nn(C)cc12	ZINC22_225796051	180.204	PUVYTSSJKURBLL-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009091
CONC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_97236548	180.204	JEENRSUBHUNZSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009092
n1cc(c2CCCn12)CCC(=O)O	MCULE-3731803668,EMOLS-id_317875196	180.204	GCVKMLPQHUWYTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009093
n1c(CCC(=O)O)cc2CCCn12	PC-id_82654303,MCULE-4929927588,EMOLS-id_317874940	180.204	WRLIWQTXHYKUBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009094
n1(C(C)C(=O)O)cc2c(CCC2)n1	PC-id_12200547,MCULE-6818034514	180.204	KQSFJOWZRDGJMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009095
o1c2c(CCC2)c(c1C)C(=O)NN	PC-id_83610193	180.204	NDMAINNHCIDMTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009096
o1c2CCCc2nc1C(=O)CCN	PC-id_84732266	180.204	MPUHNNNJTFQWMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009097
o1c2c(C(N)(CC2)CC(=O)N)cc1	PC-id_83683604	180.204	HUOZCLKGDSEXHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009098
O1c2n(CC1)c(c(n2)C(C)C)C=O	PC-id_82409139	180.204	FOIOQFTTYGDWIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009099
o1c(c2CN(Cc2c1)C(=O)C)CN	PC-id_82600570	180.204	SBPXZWPDVYWFKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009100
O1C(CC)(C(=O)n2ncc(c12)C)C	PC-id_13747043	180.204	ZDUHSSKNUANWEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009101
o1nc2CCCc2c1NC(=O)CC	PC-id_45122888	180.204	LXTDFAIPTQDPBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009102
O=Cc1nn(c2c1COC2)C(C)C	PC-id_112711167	180.204	FEDGJCMZPKLYPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009103
OC(=O)c1c2c(n(c1C)C)CNC2	PC-id_83482338	180.204	FYBDGURHQXSBLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009104
O(C(=O)c1c2c(n(c1)C)CNC2)C	PC-id_83482336	180.204	ICTLUEZRLLJVOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009105
OC(=O)c1c2c([nH]c1CC)CNC2	PC-id_82409042	180.204	OXLGIEVWNXKCRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009106
O(C(=O)c1c2c([nH]c1C)CNC2)C	PC-id_82409141	180.204	AFMYPFJGZNCGSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009107
OC(=O)c1c2c([nH]c1C)CN(C2)C	PC-id_84768107	180.204	VQORSWSVTWOCBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009108
OC(=O)C1c2c(nn(c2C)C)CC1	PC-id_83906435	180.204	WLCZLVDPOQGQGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009109
OC(=O)C1c2n(c(nc2CC1)C)C	PC-id_82409091	180.204	ARMOSVXQLDKSKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009110
OC(=O)C1Cc2n(c(nc2C1)C)C	PC-id_82409035	180.204	QILJGSKQUWYYAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009111
OC(=O)C1CCc2n(c(nc12)C)C	PC-id_82409145	180.204	POFZPMUUAYEJFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009112
OC(=O)C1(CCc2ncn(c12)C)C	PC-id_83669404	180.204	RCSBMGXXZUWEIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009113
OC(=O)C1CCc2[nH]c(nc12)CC	PC-id_84010882	180.204	OGRCESHXAZFPDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009114
OC(=O)C1CCc2[nH]nc(c12)CC	PC-id_83861612	180.204	NNHAPOPKPGDYOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009115
OC(=O)C1CCc2n(nc(c12)C)C	PC-id_83861585	180.204	DGTYGIGRQHHJLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009116
OC(=O)C1CCn2c1nc(c2C)C	PC-id_83828167	180.204	IXGYRTGAIROTOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009117
OC(=O)C1Cn2c(nc(c2C)C)C1	PC-id_82409065	180.204	BVICMTIUAGGPIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009118
OC(=O)C1Cn2c(nc(c2)CC)C1	PC-id_82409066	180.204	AJKQHHWROZWRPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009119
OC(=O)C1n2c(nc(c2C)C)CC1	PC-id_82409033	180.204	ANKOMBQZRJNAHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009120
OC(=O)c1n(c2c(CCC2)c1N)C	PC-id_45089811	180.204	LMQYHVPCRWVGCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009121
OC(=O)C1(N)CCc2c1cn(c2)C	PC-id_83906432	180.204	WQUQRWPUDMTOON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009122
O(C(=O)C1(N)CCc2c1c[nH]c2)C	PC-id_83906431	180.204	YCVQELTWEXYXBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009123
O(C(=O)c1ncn2CCCc12)CC	PC-id_86080619	180.204	IRSKBYHNLWGMHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009124
OC(=O)c1nn(c2CCCc12)CC	PC-id_82280770	180.204	XAGWOKZVWPQMFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009125
OC(=O)Cc1c2c([nH]c1C)CNC2	PC-id_84768106	180.204	LNMSKPJLQWGMKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009126
OC(=O)CC1Cc2c(nn(c2)C)C1	PC-id_82409113	180.204	HLKQGTZHKWTLJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009127
OC(=O)CC1Cc2c(n[nH]c2C)C1	PC-id_82409108	180.204	WBTBCQSFWIDFEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009128
OC(=O)CC1Cc2n(C1)cnc2C	PC-id_82409052	180.204	KXRJTULNZSJTOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009129
OC(=O)CC1CCc2c1nn(c2)C	PC-id_82409112	180.204	DDNBZZGCJUNHBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009130
OC(=O)CC1CCc2c1n(nc2)C	PC-id_83875406	180.204	RNMQVZXZZDPFDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009131
OC(=O)CC1CCc2ncn(c12)C	PC-id_82409090	180.204	JQACSXWQVMOWFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009132
OC(=O)CC1CCc2n(cnc12)C	PC-id_83875404	180.204	WXEJMPDZNRFJOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009133
OC(=O)C(C1CCc2[nH]ncc12)C	PC-id_83906434	180.204	ADMNLXQFTBTOFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009134
OC(=O)CC1CCc2nn(cc12)C	PC-id_82409114	180.204	AJAOWZGERJORAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009135
OC(=O)CC1CCc2n(ncc12)C	PC-id_83861582	180.204	IRUFYMSBZVICGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009136
OC(=O)CC1CCc2n[nH]c(c12)C	PC-id_83861638	180.204	ZNUKOCAWMFJVHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009137
OC(=O)CC1CCn2c1c(nc2)C	PC-id_82409051	180.204	OMGRFXSSOSRBKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009138
OC(=O)CC1CCn2c1cnc2C	PC-id_84657319	180.204	NNCWXCVVFGCJIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009139
OC(=O)C(C1CCn2c1cnc2)C	PC-id_84657320	180.204	PRQGIVRHVPEJAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009140
OC(=O)CC1CC(n2c1ncc2)C	EMOLS-id_96740726	180.204	JVVRMOLMTXOQQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009141
OC(=O)Cc1c(C)nc2n1CCC2	PC-id_84022303,EMOLS-id_313758094	180.204	VZLPWCRFCOFWIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009142
OC(=O)Cc1cn2c(c1C)NCC2	PC-id_98774200	180.204	FBCPEEDXZJBWPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009143
OC(=O)Cc1cn2c(c1)N(CC2)C	PC-id_96628845	180.204	XRLLVYWMSCZXFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009144
OC(=O)C(c1c[nH]c2c1CCC2)N	PC-id_112489338	180.204	UTKBFQAMCVRMOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009145
OC(=O)CC1n2c(CC1)c(nc2)C	PC-id_82409050	180.204	DZYBUAIEMFKWBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009146
OC(=O)Cc1n2c(CCC2)c(n1)C	PC-id_82654269	180.204	QCODIHHHCANNPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009147
OC(=O)Cc1n(c2CCCc2n1)C	PC-id_83846491	180.204	PAMGEKAFIUJRMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009148
OC(=O)Cc1nc2n(c1C)CCC2	PC-id_96743704	180.204	AJYHRDCKMFMCRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009149
OC(=O)Cc1nc(n2c1CCC2)C	PC-id_82409105	180.204	WSQDFHUHCDCGJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009150
OC(=O)Cc1[nH]c2c(CN(C2)C)c1	PC-id_84768111	180.204	ZHLZVTHOEKQYPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009151
OC(=O)CCc1cnc2CCCn12	EMOLS-id_194439732,PC-id_93620361	180.204	YGZGUBHMYRMBQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009152
OC(=O)CCc1n2CCCc2cn1	PC-id_82654302	180.204	ANZVOWFEDLJZTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009153
OC(=O)CCc1nc2n(CCC2)c1	PC-id_82409104	180.204	VJOHYFXVUXZNIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009154
OC(=O)CCc1[nH]c2CCCc2n1	PC-id_82468321	180.204	KKIRQLYNICNLEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009155
OC(=O)CCc1n[nH]c2CCCc12	SCHEMBL5775156,EMOLS-id_315468254,MCULE-7945414848,EMOLS-id_313496759,PC-id_21258055	180.204	IBHYLGIZBRKTLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009156
OC(=O)Cn1c(C)nc2c1CCC2	PC-id_117273289	180.204	WNAGIDUOLUVBCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009157
O(C(=O)Cn1nc2CCCc2c1)C	PC-id_86033381	180.204	GLAVPPFUYRPLTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009158
O(C(=O)Cn1ncc2c1CCC2)C	PC-id_86033380	180.204	FAGRXEJIWWEBOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009159
OC(=O)C(N)c1n2CCCc2cc1	PC-id_82409089	180.204	GAZDRXHSIHQJAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009160
c12CNCc1nn(CC)c2C=NO	MCULE-1405174036,EMOLS-id_324356459	180.207	VOMTXZRDIWZZTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009161
c12N(C)CCn1nc(C(=O)CN)c2	MCULE-2313415321	180.207	CMHGCTYXSNCGMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009162
c12OCCn1c(c(CC(=N)N)n2)C	MCULE-7604601502	180.207	LVHIKLZIGCTGOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009163
C1Cn2c(c(cn2)CCC(=O)N)N1	SCHEMBL5147545,PC-id_135732766	180.207	FKVQLAZKKSZURL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009164
C1Cn2c(c(cn2)CCNC=O)N1	PC-id_136334105,SCHEMBL5147542	180.207	HVGSEFNBNKBGPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009165
C1CN(n2c1ncc2)CCNC=O	PC-id_88401283,SCHEMBL9020035	180.207	LJOJSWMWZIRZOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009166
c1(C(=O)NC)c2CNCc2nn1C	EMOLS-id_324351596,MCULE-6269846920	180.207	OMUYVTQILPQIIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009167
c1(C(=O)NCC)[nH]nc2CNCc12	EMOLS-id_323943886,MCULE-2923941609,ZINC22_96516091,PC-id_97619429,EMOLS-id_49188857	180.207	HPESBKNEUSBQPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009168
CC1(c2nn(c(c2CN1)N)C=O)C	SCHEMBL13470226,PC-id_89096442	180.207	NTSSRRGHUXRPEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009169
CC1Cn2c(C1C(=O)NC)ncn2	PC-id_135274318,SCHEMBL20438247	180.207	HQKCJDJSBBQRFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009170
CC1Cn2c(C1C(=O)NC)nnc2	SCHEMBL20438243,PC-id_135274314	180.207	AVRCXPFDRRUVHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009171
CCC1CCc2n1nc(n2)C(=O)N	SCHEMBL19658689	180.207	WVVBMJQBFXOBIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009172
CC(C)(C)c1nnc2n1CC(=O)N2	SCHEMBL14030311,PC-id_136014589	180.207	OKHDMZOIICMMGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009173
CC(C(=O)N1Cc2c(C1)c[nH]n2)N	MCULE-5413410721	180.207	HHDLSEDQSPALLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009174
C[C@H](C(=O)N1Cc2c(C1)c[nH]n2)N	EMOLS-id_96760391,MCULE-5030588560	180.207	HHDLSEDQSPALLA-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009175
C[C@@H](C(=O)N1Cc2c(C1)c[nH]n2)N	EMOLS-id_96760454,MCULE-1722913250	180.207	HHDLSEDQSPALLA-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009176
CCN1Cc2c(C1)c([nH]n2)C(=O)N	PC-id_89117761,SCHEMBL13563327	180.207	MZSFQZIUZNSRRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009177
CCn1c(nc2c1CNC2)C(=O)N	SCHEMBL17380726,PC-id_118614452	180.207	TUBKCLIKXXKXBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009178
CCNC(=O)N1Cc2c(C1)c[nH]n2	MCULE-8525173724	180.207	DNHMINRCVDSDJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009179
CCOc1nn2c(c1N)N=C(C2)C	SCHEMBL6279480,PC-id_69731003	180.207	YHUVNKWTDSDFHL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009180
CC(=O)Cc1nn2c(n1)N(CC2)C	PC-id_96743864	180.207	TXSQQISQOCQIFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009181
CN1Cc2c(C1)cn(n2)CC(=O)N	SCHEMBL16152056,PC-id_117633289	180.207	CGGNHXUASBBOFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009182
C(N1CCn2c1ccn2)CNC=O	PC-id_18955292,SCHEMBL9020032	180.207	JWLYPIOLHXRPLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009183
CNc1n[nH]c2c1CN(C2)C(=O)C	SCHEMBL12057801,PC-id_57555885	180.207	ZYEJLHSSHTYWPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009184
CN(C)C(=O)c1nn2CCCc2n1	SCHEMBL20228866,PC-id_134577478	180.207	HJAZTCJLGMJERC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009185
CNCC(=O)N1Cc2c(C1)c[nH]n2	MCULE-5917608229,EMOLS-id_313762130	180.207	FCLYZWHLZMUCFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009186
CNC(=O)[C@@H]1CCc2n1c(C)nn2	PC-id_93487922	180.207	OILWXMIIXSYHFO-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009187
CNC(=O)[C@H]1CCc2n1c(C)nn2	PC-id_93487923	180.207	OILWXMIIXSYHFO-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009188
CN(C(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-4124478990	180.207	WPLLNAMPBVFUGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009189
CNC(=O)N1Cc2c(C1)c([nH]n2)C	PC-id_117614476,SCHEMBL16127155	180.207	ZXAIGSYDUNRTBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009190
CN(C(=O)N1CCn2c1ccn2)C	EMOLS-id_114453392	180.207	MJWGWEYBZZSHLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009191
NCCC(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_313765713,MCULE-2467673045	180.207	ASRNYNVYSHKVHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009192
NCCN1Cc2c(C1=O)nn(c2)C	PC-id_121605770	180.207	FQCLWJVSFZSBGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009193
NC(=O)CNC1CCn2c1ncc2	EMOLS-id_265364330	180.207	DAMBEBDGGDRDOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009194
NC(=O)N1Cc2c(C1)c(nn2C)C	PC-id_140552948	180.207	SBZXPKWSNBFMIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009195
NC(=O)Nc1n(C)nc2c1CCC2	PC-id_144476808	180.207	HEQKDWCBPTVGRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009196
O=C1n2c(nnc2CN1)C(C)(C)C	PC-id_59825855,SCHEMBL14030256	180.207	HMNFSRIMZYMEHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009197
O=C1Nc2c(n(nc2C)C)C1CN	PC-id_83482341	180.207	ODMTUXGAMJRRDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009198
O=C1NC(c2c1nn(c2N)C)(C)C	PC-id_82654309	180.207	FDTLJGUKFMBDCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009199
O=C1N(Cc2n1c(nc2)C)CCN	PC-id_83680764	180.207	UUGDYCRUBKZGPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009200
O=C1NCc2nn(c(c12)CCN)C	PC-id_82654306	180.207	GDWIHXHYAHRWFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009201
O=C1NCn2c1nnc2C(C)(C)C	SCHEMBL14030403,PC-id_59825807	180.207	MBKRWDFFEWVZOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009202
O=C1Nn2c(C1)nnc2C(C)(C)C	SCHEMBL14030257,PC-id_59825825	180.207	MYRJGYBDCXZXQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009203
O=C(c1n2CCCc2nn1)CNC	PC-id_82654310	180.207	FQRPGWYBQZUZNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009204
O=C(Cc1nnn2c1N(CC2)C)C	PC-id_83875426	180.207	AWYSRCZYTVSJED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009205
O=CN1Cc2c(C1(C)C)[nH]nc2N	SCHEMBL11918028,SCHEMBL7015332,PC-id_59333994	180.207	WETCMYWEJKURMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009206
O=C(N1Cc2c([nH]nc2N)C1)CC	PC-id_84657373	180.207	RVHRHZWZMDVZIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009207
O=C(N1Cc2c(nn(c2N)C)C1)C	PC-id_84657372	180.207	HJXJGENTQVDRSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009208
O=C(N)c1nn2c(C(CC2)C)c1N	PC-id_60006870	180.207	BTLFUXXFZDCQRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009209
O=CN(Cc1n2CCCc2nn1)C	EMOLS-id_40909241,PC-id_64992353	180.207	IIMGPRKVVCQPPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009210
O=C(NCc1n2CCCc2nn1)C	PC-id_52024778	180.207	MJFMLNKPNZSNOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009211
O=CNC(c1n2CCCc2nn1)C	PC-id_64992460	180.207	NRISORCRHQDWCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009212
O=C(NC)C1n2c(nnc2C)CC1	PC-id_10397391	180.207	OILWXMIIXSYHFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009213
O=C(NN)Cc1n[nH]c2c1CCC2	PC-id_15026247	180.207	VPAHEAKBVWWCOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009214
n12nc(N)c(N)c1N=NC2C(C)C	SCHEMBL6285994,PC-id_69732722	180.21	LZZQKBMOLVLFIX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009215
N1(CCn2nnc(c12)CC(=N)N)C	PC-id_83875454	180.21	OEVNQNGTVDTBSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009216
NCCC1N=Nc2n1nc(c2N)C	PC-id_145844615	180.21	WQLPRXAMIMWPQD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009217
[Si]Oc1cc2n(C(=O)CC2)c1O	PC-id_53793993	180.213	BVNNEAOHSOTFFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009218
Cc1c2c(=C(C(=S)O2)C)oc1=C	PC-id_89399529,SCHEMBL14670143	180.224	RHQYDHYDJYCKLM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009219
C(c1cc2c(s1)C(=O)OC2)C=C	PC-id_69087517,MCULE-2542537743,SCHEMBL4549617	180.224	AGZMPFVTZQTERL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009220
COC(=O)c1scc2c1C=CC2	PC-id_141443921	180.224	FGIXBSHFFHZEHP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009221
o1cc2C(N([O])C(c2c1)(C)C)(C)C	PC-id_21860647	180.224	HJPGTCXHRWGUQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009222
O=C1CC(=O)c2c1c(C)sc2C	SCHEMBL16449708,PC-id_117860890	180.224	LWXCEFKCWRQMDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009223
s1c(c2CCC(=O)c2c1)C(=O)C	PC-id_82408935	180.224	NGLXNUNKVIZZQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009224
c1(C#N)c2CNCc2sc1OC	MCULE-6013570422,EMOLS-id_331066411	180.227	GGGNQICQOJFZDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009225
CSc1ncc2n1C(=O)C=C2C	PC-id_144452546	180.227	BTSZNWASNAPKJI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009226
NNC(=O)c1cc2c(s1)C=CC2	PC-id_139603081	180.227	GYHCDJCLUWOWGE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009227
S=C1N(C(=O)c2n1ccc2)CC	PC-id_11252338	180.227	SUZAGCKVYDJMHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009228
CC1=C(N)[N+](c2c1[nH]c(c2)N)(C)N	SCHEMBL5184050,PC-id_69345240	180.23	QKAYDCMPYVYEOI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009229
CN[N+]1(C)C(=Cc2c1cc([nH]2)N)N	SCHEMBL5492541,PC-id_69462237	180.23	BVMOOSNQSUGJJU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009230
S1CCn2nc(nc12)CC[N+]#[C-]	PC-id_83482344	180.23	RYISZDWFPBLBLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009231
c1(CO)c2CCCc2oc1C(C)C	MCULE-1241360681,PC-id_83610273	180.244	LNIFFPHPCIQUAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009232
o1c2c(CCC2)c(c1CCC)CO	PC-id_83610345	180.244	GDKMCCLQKSLWDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009233
c12CCC(C)c1c(nn2C(C)C)O	MCULE-7001799154,EMOLS-id_330958842	180.247	PGYOVWNGVNWCIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009234
c12C(C)CCc1n(nc2)CCCO	EMOLS-id_331022309,MCULE-9763910525	180.247	VWOMNTWQTVVSEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009235
c12C(C)CCc1n(nc2O)CCC	MCULE-9334579821,EMOLS-id_330960378	180.247	XDWCYJKNGXQLSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009236
c12C(C)CCc1nn(CCC)c2O	MCULE-2140066283,EMOLS-id_331007917	180.247	QVMUPTNGANZTDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009237
c12C(C)CCc1nn(CCCO)c2	MCULE-3902027407,EMOLS-id_331005352	180.247	DOGRMXMFZOMBNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009238
c1(O)c2C(C)CCc2nn1C(C)C	EMOLS-id_331006381,MCULE-1122592083	180.247	PKSDDPZHZYPEES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009239
Cc1c2CN(Cc2no1)C(C)(C)C	SCHEMBL15946767,PC-id_90337632	180.247	ZPTYKUABQSRDFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009240
CC1Cc2c(C1N)c(no2)C(C)C	PC-id_112714700	180.247	RWIQHDBBKKZLBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009241
CC1Cc2c(C1(O)CCN)c[nH]c2	PC-id_112714679	180.247	FNVNHXIDYBGYQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009242
Cc1nc2c(o1)CN(C2)C(C)(C)C	SCHEMBL13562731,PC-id_89117492	180.247	AXVQNIDXPFGOAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009243
Cc1nc2n(c1C(O)(C)C)CCC2	EMOLS-id_313596070,PC-id_84657558	180.247	YALKJDDZPZDRRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009244
CCc1c(n2CCCn2c1=O)CC	SCHEMBL13320156,PC-id_89059529	180.247	SOIPJFWEHVETBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009245
CC(C(c1ccc2n1CCC2)O)N	PC-id_112489306	180.247	JSNZKUVRKSGOKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009246
CC(C(c1cn2c(c1)CCC2)O)N	PC-id_112489305	180.247	VNSBQYSXQYHNMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009247
CCCc1nc2c([nH]1)COC2(C)C	PC-id_67283640,SCHEMBL2120514	180.247	GAZHKVLKWMTIIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009248
CCC(c1nc2c(o1)N(CC2)C)C	PC-id_134341680,SCHEMBL19965757	180.247	HWJRZNMGDSYPDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009249
CCCc1nn(C)c2CC(O)Cc12	EMOLS-id_337957915	180.247	TZVJSZROVFBMQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009250
CC(C)c1nn(C)c2CC(O)Cc12	EMOLS-id_337960219	180.247	GDOXYYYXTPWYRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009251
CCCCn1nc2c(c1O)CCC2	EMOLS-id_41629400	180.247	NTQNWBLOYNDGJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009252
CC(C)(C)n1nc(O)c2CCCc12	PC-id_105438962,EMOLS-id_324385631,MCULE-5783891107	180.247	GWHNGHMNHRPWHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009253
CC(C)CNc1noc2CCCc12	MCULE-1876787873,EMOLS-id_207622539	180.247	BOXDJZNILKTROC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009254
CC(C)(CO)c1n[nH]c2CCCc12	EMOLS-id_313880668,MCULE-7424130417	180.247	WFSAMDCUBMTPLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009255
CC(Cn1nc2c(c1O)CCC2)C	EMOLS-id_41629106	180.247	JJBSYEXJSISSBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009256
CCC(n1nc2c(c1O)CCC2)C	EMOLS-id_41629434	180.247	FKJKLFFCJUGRRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009257
CCCn1nc2CCCc2c1CO	MCULE-4818835109,EMOLS-id_324390493	180.247	OTOJYQDCLKYLGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009258
CC(C)n1nc2CCCc2c1CO	PC-id_121214345,MCULE-4164220842,EMOLS-id_70118662	180.247	IIFIYIQOBCXSLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009259
CC(C)n1nc(C)c2CC(O)Cc12	EMOLS-id_337959707	180.247	MJGFOOHWLCKPAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009260
CCCn1nc(CO)c2CCCc12	MCULE-1941540519,EMOLS-id_324390739	180.247	WLSJOAYLJAEYOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009261
CC(Cn1[nH]c(=O)c2c1CCC2)C	PC-id_105438963	180.247	JZYLXZRVWPUWQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009262
CCCNCc1noc2c1CCC2	PC-id_80463042,EMOLS-id_313676057	180.247	IPJAJCREIRVWQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009263
CC(C)(O)Cc1n[nH]c2CCCc12	EMOLS-id_313882971,MCULE-5306787122	180.247	PVMLPGKBTMUUFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009264
C[C@@H](O)CCc1n[nH]c2CCCc12	EMOLS-id_313879891,MCULE-8590553037	180.247	PURIJWTVAHUNFK-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009265
C[C@H](O)CCc1n[nH]c2CCCc12	MCULE-7223871586,EMOLS-id_313880403	180.247	PURIJWTVAHUNFK-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009266
CCN1CCc2c1oc(n2)C(C)C	SCHEMBL14925543,PC-id_89548619	180.247	PNJDWQQZKVGLBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009267
CCn1nc2CCC(C)c2c1CO	EMOLS-id_330997426,MCULE-2696140794	180.247	IZHTTYKLFQKXQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009268
Brc1scc2c1NCC2	PC-id_96618760	204.088	CDQIZSJWXMXHRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015145
CCn1nc(CO)c2C(C)CCc12	MCULE-1077360691,EMOLS-id_331013362	180.247	LFSUHSOWFGVGGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009269
CC(NCc1noc2c1CCC2)C	EMOLS-id_194593596,PC-id_80462330	180.247	XIWPSSBEMDXXQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009270
CCNCc1noc2c1CCC2C	PC-id_80463163,EMOLS-id_194553779	180.247	YHBJYASOQABNNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009271
CCOc1nn2c(c1CC)CCC2	SCHEMBL19053807	180.247	VRSYHYDGGVGZNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009272
CC(O)C(C)c1cnc2CCCn12	EMOLS-id_265373766,MCULE-5671067702	180.247	XDGQPDCQIZEGOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009273
CC(O)CCc1n[nH]c2CCCc12	MCULE-4700040827,EMOLS-id_313880147	180.247	PURIJWTVAHUNFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009274
CC(O[C@H]1Cn2c(C1)ncc2)(C)C	PC-id_139402727,SCHEMBL21259523	180.247	ZKMOXKRWWXKQKO-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009275
CNCC1C(C)Cc2c1c(C)no2	PC-id_112714692	180.247	XSOSSLOZFMGADR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009276
CNCc1noc2c1CCC2CC	EMOLS-id_107198322,PC-id_116177542	180.247	ZEUKWCDGILTQPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009277
CNCc1noc2c1CCC2(C)C	PC-id_80462978,EMOLS-id_96698491	180.247	HMCHZFQXIRICFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009278
CNCC(c1ccc2n1CCC2)O	PC-id_112489307	180.247	NHFYWWHGWJMNGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009279
COCCn1nc2c(c1C)CCC2	SCHEMBL20939185,PC-id_138580427	180.247	HDQLZOZGLCPLCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009280
n1(C)cc2C(N)(CO)C(C)Cc2c1	PC-id_112714680,MCULE-6679405316	180.247	NOSZZKCISVTRGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009281
NCc1noc2c1C(C)(C)CC2C	PC-id_106664541,EMOLS-id_96721532	180.247	FYHQBDFWUISWGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009282
NCC1(O)C(C)Cc2c1cn(c2)C	PC-id_112714677	180.247	SRXFMQJQKHCRPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009283
NCCc1cc(c2n1CCC2)OC	PC-id_96744202	180.247	FNMJIQPMRZDAOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009284
NCCC1C(C)Cc2c1c(C)no2	PC-id_112714687	180.247	VVBZPCMNDHKMEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009285
NCC(C1C(C)Cc2c1cno2)C	PC-id_112714684	180.247	BMRBPDDDUIBGRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009286
NCCCc1cc(n2c1OCC2)C	PC-id_96628751	180.247	RGSFXUXBXHFEFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009287
o1c2c(c(c1C(C)C)CN)CNC2	PC-id_84768212	180.247	JFEMNWFIXGQWDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009288
o1c2C(CCc2nc1C(C)C)CN	PC-id_83875486	180.247	RVPDIVJTRYRDAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009289
o1c2CCC(c2nc1C(C)C)CN	PC-id_83875489	180.247	UYRSGZAQRGNPMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009290
o1c2CCCc2nc1C(N)C(C)C	PC-id_83949280	180.247	RLTFRUYKBVZOJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009291
o1c2CCC(NC)c2nc1C(C)C	PC-id_83875490	180.247	NCCVACUTEDNAMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009292
o1c2c(CN(C2)C)c(c1C)CCN	PC-id_84768213	180.247	PDMPISACGFEHIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009293
o1c2C(NCc2nc1C(C)(C)C)C	PC-id_82373577	180.247	ZRUAXNALEHQISD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009294
o1c2C(NCc2nc1CC(C)C)C	PC-id_82373581	180.247	AHFQTDBLHLAUSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009295
o1c2C(NC)CCc2nc1C(C)C	PC-id_83875487	180.247	RFBVTKZPZSPYNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009296
O1c2n(CC1)cc(c2CC(N)C)C	PC-id_82408822	180.247	DUXOCGGQKHWCSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009297
O1c2n(CC1)cc(c2C(N)CC)C	PC-id_82408908	180.247	WQWLPGFNQSTOSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009298
O1c2n(CC1)c(cc2C(N)CC)C	PC-id_82408911	180.247	KEHJZMZJEJBAFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009299
O1c2n(CC1)cc(CC(N)CC)c2	PC-id_82408820	180.247	WQNVWNUGDMTOML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009300
O1c2n(c(C(C(N)C)C)cc2)CC1	PC-id_82408816	180.247	VREJYTCZRXIHHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009301
O1Cc2c(c([nH]c2C1)C(C)C)CN	PC-id_84768199	180.247	XWAIWMVJDPAHDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009302
o1nc2c(c1C(CN)(C)C)CCC2	PC-id_83858733	180.247	DBXBKEDTPHYDCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009303
o1nc2c(CCC2)c1CC(CN)C	PC-id_83858734	180.247	OIVQFPLIMDFMOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009304
o1nc2c(CCC2)c1CC(N)(C)C	PC-id_83858727	180.247	BOBGEDDAQDEXTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009305
o1nc2c(CCC2)c1[C@@H](N)C(C)C	PC-id_83858698	180.247	JLNRCFXRZDIOKY-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009306
o1nc2c(CCC2)c1C(N)C(C)C	PC-id_83846522	180.247	JLNRCFXRZDIOKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009307
o1nc(c2C(CCc12)CCN)CC	PC-id_83861452	180.247	GXMREWPJFJUDNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009308
o1nc(c2C(CCc12)CNC)CC	PC-id_83861454	180.247	DJWPFOCLEUDMOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009309
o1nc(c2C(CCc12)CN)C(C)C	PC-id_83861493	180.247	IPYIESXJXVVXQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009310
o1nc(c2C(C(CN)C)CCc12)C	PC-id_83906447	180.247	YGNSWTYTVKBYJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009311
o1nc(c2C(N)CCc12)C(C)(C)C	PC-id_83861458	180.247	GHANKJXZABDFSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009312
o1nc(c2C(NC)CCc12)C(C)C	PC-id_83861488	180.247	XOHZLBRFOXIEFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009313
OC1(CCc2c1cn(c2)C)CCN	PC-id_83906438	180.247	PIEGEVNNIFXNNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009314
O=c1n2c(CCC2)cn1C(C)(C)C	PC-id_44622979	180.247	GUEZWBFGBUVLMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009315
O=c1n([nH]c2c1CCC2)CC(C)C	PC-id_66020860	180.247	PECXILDTMGIBCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009316
O=c1n([nH]c2c1CCC2)C(CC)C	PC-id_66020882	180.247	XFUWQHMVSULMGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009317
O=c1n([nH]c2c1CCC2)C(C)(C)C	PC-id_66021065	180.247	JJLKRDYZGMCJDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009318
O=c1n([nH]c2c1CCC2)CCCC	PC-id_66023349	180.247	PSGYATBTYDBSQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009319
OC(c1c2c([nH]c1C)CCC2)CN	PC-id_84768208	180.247	VSESGFFTQXSHIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009320
OCC1n2c(CC1)c(nc2)C(C)C	PC-id_82408843	180.247	XPDXTRYPEDVUHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009321
OC(c1n(nc2c1CCC2)C)(C)C	PC-id_84657556	180.247	DBPZXMORPZTVIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009322
OC(c1nn(c2c1CCC2)C)(C)C	PC-id_84657557	180.247	ZEIBHIFNRNVOKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009323
OC(Cc1n2c(CCC2)c(n1)C)C	PC-id_83675676	180.247	CGWUTNZNVXRFIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009324
OC(Cc1nc(n2c1CCC2)C)C	PC-id_83675189	180.247	MSJAYCFAKMWTGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009325
OCCCn1nc2c(c1C)CCC2	PC-id_141657243	180.247	PWJVNINTJSPUOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009326
OCC(N)c1c2c([nH]c1C)CCC2	PC-id_84768207	180.247	YMJNIDFWTXCLIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009327
O(NCc1c2CC(Cc2[nH]c1)C)C	PC-id_82600698	180.247	FQXXYWZTMTXQAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009328
ON(Cc1c2c([nH]c1C)CCC2)C	PC-id_84768217	180.247	JSFLYPAVVLMIEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009329
O(NCc1n2c(CCC2)c(c1)C)C	PC-id_82600697	180.247	MQYSVMSMVDAQFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009330
c12CN(Cc1nn(C)c2CCN)C	PC-id_112711087,EMOLS-id_317879026,MCULE-8315645029	180.25	RZKANNORCAGYPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009331
CCC1NNc2cc(nn12)C(C)C	PC-id_136646986	180.25	MAHSNKVMZDUAKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009332
CC(C(c1n2c(CCC2)nn1)N)C	EMOLS-id_32445810,PC-id_43142798,MCULE-4187521551,CHEMBL4581540	180.25	DVVZQDQWNMAEIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009333
CCC(c1nnc2n1CCC2)CN	EMOLS-id_41101023,PC-id_65221234	180.25	CVQLXZGMJVYYHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009334
CC(C(c1nnc2n1CCC2)C)N	EMOLS-id_96629657,PC-id_104475652	180.25	RHGWUTILEYNNRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009335
CCC(c1nnc2n1CCC2)NC	EMOLS-id_38599797,PC-id_61817115	180.25	ASOPTPRUICHBOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009336
CC(Cc1nnc2n1CCC2)(N)C	EMOLS-id_40692998,PC-id_64672419	180.25	CGIYLSRPQXESSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009337
CCC(c1nnc2n1CCC2)(N)C	EMOLS-id_42525361,PC-id_79799212	180.25	GHQAOHNOSOQROC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009338
CC(C)(C)c1nn2CCNc2c1N	PC-id_136300250	180.25	QXXMQEZLCRCWLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009339
CC(CCc1nnc2n1CCC2)N	EMOLS-id_40253182,PC-id_64095293	180.25	DVYZPYVWGOVZRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009340
CCCC(c1nnc2n1CCC2)N	PC-id_43630110,EMOLS-id_37761780	180.25	RUAYUFDOAIQIOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009341
CCC(Cc1nnc2n1CCC2)N	PC-id_81969874,EMOLS-id_194642040	180.25	IASARPCLDJSALA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009342
CC(C)[C@H](N)c1nnc2CCCn12	PC-id_51885142,ZINC22_36896128,EMOLS-id_323963930	180.25	DVVZQDQWNMAEIH-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009343
CC(C)[C@@H](N)c1nnc2n1CCC2	PC-id_51885144,ZINC22_36896129	180.25	DVVZQDQWNMAEIH-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009344
CC(C)Cn1nc2CNCc2c1N	PC-id_105439073,MCULE-2166610354,EMOLS-id_324341603	180.25	AOYWVOGCPHAHDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009345
CC(C)CNn1nnc2CCCc12	MCULE-3629635866,EMOLS-id_208147369	180.25	PEWQHIIWSIGPGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009346
CC(C)n1nc2CNCc2c1CN	PC-id_112711085,EMOLS-id_324347245,MCULE-7997840479	180.25	ZPPUPRVMXBTSDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009347
CC(Cn1nc(c2c1CNC2)N)C	PC-id_105439063	180.25	IBRRJCIQIMGFJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009348
CCCNCc1nnc2n1CCC2	EMOLS-id_38599795,PC-id_61816922	180.25	CNPXHOFDHQOWII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009349
CCN1Cc2c(C1)c(n(n2)CC)N	PC-id_105439030	180.25	ZSOFDDOIIXJAEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009350
CCN1Cc2c(C1)c(nn2CC)N	PC-id_105439032	180.25	XWQFKDNNCQDNFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009351
CCn1nc2c(c1CN)CN(C2)C	PC-id_105439074	180.25	KEXRZQYWIJROHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009352
CCn1nc2c(c1N)CNC2(C)C	SCHEMBL11913273,PC-id_68164450	180.25	LVWXBXUHBNKPIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009353
CC(NCc1nnc2n1CCC2)C	EMOLS-id_37389869,SCHEMBL9963371,PC-id_60730490	180.25	FSJGRCMFBHTGTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009354
CCNC(c1nnc2n1CCC2)C	PC-id_43748191,EMOLS-id_37811172	180.25	BNOUUQBSPNSCIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009355
CCNCCc1nnc2n1CCC2	PC-id_62329152,EMOLS-id_38956650	180.25	JQEFQLMGBXZEKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009356
CN1Cc2c(C1(C)C)n(nc2N)C	SCHEMBL19530759,PC-id_83846561	180.25	CJDPMQDUAPKJJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009357
CN1CCn2c1cc(n2)CCCN	PC-id_96852360	180.25	RFMYOFUJFJIRFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009358
CN1CCn2c1cc(n2)C(N)(C)C	PC-id_96852340	180.25	MRLRVGUPLKZSQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009359
CN1CCn2c1nc(c2)CCCN	PC-id_96628669	180.25	ZVUQZBBVUSMUNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009360
CNc1nn(c2c1CNC2)C(C)C	PC-id_112711025	180.25	AVACNZZYEJAWQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009361
CNc1n(nc2c1CNC2)C(C)C	PC-id_112711070	180.25	KKJGRSCUIYTKIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009362
CN(Cc1ncn2c1CC(C2)N)C	PC-id_112489303	180.25	IYSSGYCFQXWDHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009363
CNCc1n(C)nc2c1CN(C2)C	PC-id_112711094	180.25	XXUHIAVLMKLUBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009364
CNC(c1nnc2n1CCC2)(C)C	EMOLS-id_39400231,PC-id_62818690	180.25	TXXJESSDNXFDRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009365
CNCCc1nn2c(c1)N(CC2)C	PC-id_96852358	180.25	GRHKIGGGJUPHDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009366
CNCC(c1nnc2n1CCC2)C	EMOLS-id_194489005	180.25	ZTYXWIKTDJRSHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009367
CNCCCc1nnc2n1CCC2	EMOLS-id_37535257,PC-id_43152025	180.25	RSPNLAVPERZPLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009368
CN(NC1CC(n2c1ncc2)C)C	EMOLS-id_265377108	180.25	JFHJJDGHHJGXQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009369
n12CCCc1nnc2CCCCN	EMOLS-id_40214667,PC-id_64060600	180.25	KUAUXVHGDSNDGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009370
n12CCCc1nnc2CC(CN)C	EMOLS-id_194625384,PC-id_81073312	180.25	BALPPPHPUBQOMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009371
n12CCCc1nnc2C(CCN)C	PC-id_80539938,EMOLS-id_194498442	180.25	FJRHPSGSTJDGMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009372
n12CCC(N)c1nnc2CC(C)C	PC-id_82408802	180.25	SEWGZYGBOFEUCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009373
n12c(C(N)CC1)c(nc2)CN(C)C	PC-id_82408760	180.25	IQNWHKIITBYFPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009374
n12CC(N)Cc1nnc2C(C)(C)C	PC-id_82408801	180.25	AQWZDGXCNHDKBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009375
n12nc(c(N)c1N(CC2)C)C(C)C	PC-id_83816942	180.25	YDYFMJPCGDAJQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009376
n1(c2CN(Cc2nc1)C)CC(N)C	PC-id_82408786	180.25	HERPTXBSPKJSFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009377
N1Cc2c([nH]nc2CCN(C)C)C1	PC-id_83846544	180.25	YVWKVSMPHJRKAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009378
N1(C(c2c([nH]nc2N)C1)C)C(C)C	PC-id_83846566	180.25	RBXYJXCDUGAYAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009379
N1(Cc2c(n(nc2CCN)C)C1)C	PC-id_83862230	180.25	STUVEMJDIBZNKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009380
N1(Cc2c(n(nc2CNC)C)C1)C	PC-id_83862238	180.25	AZGVSSYRHICANE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009381
N1Cc2c(n(nc2CN(C)C)C)C1	PC-id_84618281	180.25	CZAMNPKZHRTSNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009382
N1(Cc2c(nn(c2N)C)C1)C(C)C	PC-id_83846575	180.25	KBSZINAHBQVJRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009383
N1(Cc2c(nn(c2N)C)C1)CCC	PC-id_83914974	180.25	QLUDAQAMLRTYRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009384
N1(Cc2c(nn(c2N)C(C)C)C1)C	PC-id_83862405	180.25	SSCUJPTUDVENFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009385
N1Cc2c(nn(c2NC(C)C)C)C1	PC-id_84657577	180.25	UXMMSSIEFHLETJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009386
N1(C(c2[nH]nc(N)c2C1C)(C)C)C	PC-id_83846567	180.25	ZKPNOBGBIJBZAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009387
N1(C(c2[nH]nc(N)c2C1)C)C(C)C	PC-id_83846568	180.25	PCOUZYNVNGKEAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009388
N1C(c2n(nc(N)c2C1)C)C(C)C	PC-id_83846557	180.25	LDVAWPHHZAZRIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009389
N1(C(c2n(nc(N)c2C1)C)CC)C	PC-id_83846560	180.25	TVNBYPDQNSCBIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009390
N1(Cc2n(nc(N)c2C1)C)C(C)C	PC-id_83846562	180.25	VLOHLHPMVFMXMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009391
N1(C(c2nn(c(N)c2C1)C)CC)C	PC-id_83846573	180.25	VSUXLQNXJUVWCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009392
N1(C(c2nn(c(N)c2C1)C)(C)C)C	PC-id_83846574	180.25	RFIYTKVQHVBXBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009393
N1(Cc2n(nc(N)c2C1)C(C)C)C	PC-id_83862149	180.25	QLWMEKBZSDODRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009394
N1(Cc2n(nc(N)c2C1)C)CCC	PC-id_83914970	180.25	RWYPKQHUAJEEMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009395
N1(C(C(C)C)c2[nH]nc(N)c2C1)C	PC-id_83846564	180.25	KTUNHJKAMKRHLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009396
N1C(C(C)C)c2nn(c(N)c2C1)C	PC-id_83846570	180.25	YPODWNYPWQGGDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009397
n1(nc2c(CNC2)c1)CCN(C)C	PC-id_82408761	180.25	GYYZTJARNQXWSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009398
n1(nnc2c1C(CC2)CN)C(C)C	PC-id_83875592	180.25	XQNGIMRDQGQZGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009399
n1(nnc2c1C(NC)CC2)C(C)C	PC-id_83875593	180.25	JGIYISOGOXZMOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009400
n1(nnc2C(CCc12)CN)C(C)C	PC-id_83875600	180.25	OKQIHPWBJBQARG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009401
n1(nnc2C(NC)CCc12)C(C)C	PC-id_83875601	180.25	LQTZNELKYDSOBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009402
Nc1c2CNCc2nn1C(C)(C)C	PC-id_105439072	180.25	KUNRYBVYEPBGQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009403
Nc1nn(c2c1CNC2)C(C)(C)C	PC-id_105439062	180.25	MMXONVPXPIOEOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009404
Nc1n[nH]c2c1CN(C2)C(C)(C)C	PC-id_105439031	180.25	GQSGAERLAAZFLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009405
N(c1n[nH]c2c1CNC2)(CC)CC	PC-id_83863061	180.25	LWWIAVIRTQZGKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009406
NCc1nn(c2c1CN(C2)C)CC	PC-id_105439064	180.25	CHVITQACJFJQRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009407
NCc1nn(c2c1CNC2)C(C)C	PC-id_112711040	180.25	CUFZZHWARCJZJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009408
NCC(c1nnc2n1CCC2)(C)C	EMOLS-id_96647572,PC-id_115428039	180.25	ZKLPOJDJHKEKSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009409
NCCCN1Cc2c(C1)cnn2C	PC-id_96628673	180.25	MMGBRQYYMLHPPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009410
NCCN(C1CCn2c1ncc2)C	EMOLS-id_194497379	180.25	YBMLOERVTASXQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009411
NCCNC1CC(n2c1ncc2)C	EMOLS-id_265377111	180.25	MXZISCZNEQGUPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009412
NCCNCc1n[nH]c2c1CCC2	EMOLS-id_313607631,PC-id_104374996	180.25	JTBMFNWKQKARAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009413
[nH]1c2c(nc1C(N)C(C)C)CNC2	PC-id_83949425	180.25	YXXINSKVYMBRNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009414
CC1Cc2c(C1=O)c(c(s2)C)C	SCHEMBL1821544,PC-id_21943916	180.267	HXBGQBCEEQMCHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009415
CC1Cc2c(C1=O)sc(c2C)C	PC-id_142615412	180.267	YJBDELSSANQBHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009416
Cc1cc2c(s1)C(=O)C(C2C)C	PC-id_142613448	180.267	NYSSJVMURAJWNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009417
C(C1CO1)c1cc2CCCc2s1	EMOLS-id_313794253,MCULE-6116229343	180.267	IPDWSRUVBDKPMI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-009418
CC1C(=O)c2c(C1C)c(cs2)C	PC-id_142613461	180.267	APQKJNFVSYHYBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009419
Cc1sc2c(c1)C(=O)C(C2)(C)C	PC-id_58951158,SCHEMBL13363477	180.267	ADBZHUVVENCETC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009420
CCC1Cc2c(C1)cc(s2)C=O	PC-id_21317979,SCHEMBL11531913	180.267	GMXGJMCXYQGWEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009421
CC(C1Cc2c(C1=O)scc2)C	PC-id_21317983,SCHEMBL11536198	180.267	RCHCPZUIXUSCLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009422
CCC1Cc2c(C1=O)scc2C	PC-id_67528951,SCHEMBL2773408	180.267	YGRCADJTMFVQKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009423
CCc1cc2c(s1)C(=O)C(C2)C	PC-id_112714702	180.267	RGPGCIOSQBNHKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009424
CCc1sc2c(c1)C(=O)C(C2)C	PC-id_112714704	180.267	LBGAGQDECRPHHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009425
CC(C=O)c1cc2CCCc2s1	EMOLS-id_313837236,MCULE-5891910397	180.267	MDXPPSSXSSSGEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009426
CCC(=O)c1sc2c(c1)CCC2	EMOLS-id_96556581,PC-id_114962134	180.267	GZMDIKWARHCUIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009427
CC(=O)c1c(C)sc2c1CCC2	PC-id_142393501	180.267	VUHXWFOMLVELLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009428
CC(=O)Cc1cc2CCCc2s1	MCULE-2684988682,PC-id_82600782,EMOLS-id_313807811	180.267	HOKMCDKEAKCNBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009429
OCC=Cc1cc2CCCc2s1	EMOLS-id_313792461	180.267	KSCMOYNWVQLPEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009430
O=CCCc1cc2CCCc2s1	EMOLS-id_313876296,MCULE-7684600624	180.267	DXYJFHAWVBRYPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009431
OC(C=C)c1cc2CCCc2s1	MCULE-5961429205,EMOLS-id_265377661,PC-id_115814638	180.267	FWRBIYSJUDPHNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009432
s1c2c(CCC2)c(c1C(=O)C)C	PC-id_82600781	180.267	IYFJLUJGDQYFLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009433
s1c2c(CCC2=O)cc1C(C)C	PC-id_83906449	180.267	XKXHDMWLSGEGSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009434
s1c2c(C(CC2=O)(CC)C)cc1	PC-id_85694639	180.267	CEMMIKUZEKMGIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009435
s1c2CCC(=O)c2cc1C(C)C	PC-id_83906451	180.267	KKMWOSDQHIMDIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009436
c1(NC2CC2)sc2c(CCC2)n1	MCULE-8462656635,PC-id_24688433,EMOLS-id_37401519	180.27	OKTPGISEMACYHJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-009437
Cc1sc(c2c1C(C)(C)N=N2)C	PC-id_102433737	180.27	IRXRJMUPZXSUDD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009438
CCc1sc(c2c1N=NC2)CC	SCHEMBL19229542	180.27	BJQGXOIVIJDOPY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009439
CC(C[C@H]1CCc2[n+]1cn(n2)C)C	PC-id_118886938,SCHEMBL17523274	180.27	MAFVQZAJTIFSHQ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009440
CCCCn1n[n+]2c(c1C)CCC2	PC-id_101957393	180.27	AUMQTSUSZXKBHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009441
C=CCn1c(=N)sc2c1CCC2	EMOLS-id_114456123	180.27	IZKHZXKMMKRGGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009442
C=CCNc1sc2c(n1)CCC2	EMOLS-id_96570483	180.27	PWQGERKVQPYLNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009443
C=CCSc1[nH]c2c(n1)CCC2	EMOLS-id_265017091	180.27	RGGCEDPDVOIGCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009444
Cn1c[n+]2c(n1)CC[C@@H]2C(C)(C)C	PC-id_118886936,SCHEMBL17523271	180.27	PHIJGKFRHMCRHZ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009445
NC(=N)Cc1cc2CCCc2s1	PC-id_83676185,MCULE-9236425896,EMOLS-id_313874502	180.27	UGRYASQUDKEUBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009446
NN=C(c1sc2c(c1)CCC2)C	EMOLS-id_114456102	180.27	ORJIDPKIYBKQDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009447
s1c2c(CCC2)c(c1C(=N)N)C	PC-id_83677371	180.27	UHKFWTVSIQSRNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009448
s1c2c(C(CC2)CC(=N)N)cc1	PC-id_83683728	180.27	SRHVWCGDCYTYJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009449
CC1(C)CC(c2c1csc2)(C)C	SCHEMBL13762328,PC-id_58975470	180.31	PRWGOPVUEHMSRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009450
CC1(C)CC(c2c1scc2)(C)C	SCHEMBL13762326,PC-id_58975463	180.31	ZVHBZHDREYZBFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009451
Cc1sc(c2c1CC(C2)(C)C)C	PC-id_138538758,SCHEMBL20892616	180.31	AODKFERPXKEBKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009452
CCc1sc2c(c1)CC(C2)(C)C	SCHEMBL12045155,PC-id_70641310	180.31	AAXQCSDOGWITDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009453
CC(c1sc2c(c1)CCC2)(C)C	SCHEMBL6856723,PC-id_57625138	180.31	JRAFSJLHKAOKGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009454
CC(c1sc2c(c1C)CCC2)C	SCHEMBL19359600	180.31	SLTFQKWYXJYTSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009455
CC(CC1CCc2c1scc2)C	PC-id_138617732,SCHEMBL20982087	180.31	QHUPJRPMBBIEEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009456
CC(Cc1sc2c(c1)CCC2)C	PC-id_121221913	180.31	KQINQFUJWCBJJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009457
s1c2c(CCC2)cc1CCCC	PC-id_14338032	180.31	XOHYMBXUCJAVQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009458
CC1=CC2=C(S1)N=C(C2)C(=O)O	PC-id_153830647	181.02	RITCSNAKYIQPQQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009459
CC1(CC2=C(C1=N)SC(=C2)O)C	PC-id_153916465	181.056	WYBMSEQYJPJWQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009460
CCCC1=CC2=C(S1)C(=O)NC2	PC-id_153324699	181.056	BZBMCXHKQJNJMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009461
CC(=O)CC1=NC2=C(S1)CCC2	PC-id_161461190	181.056	WBVIJYCPRAPRMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009462
COc1c2CCCn2cc1C(=O)O	PC-id_164023143	181.074	VBFMJLJYWZEWCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009463
C1[C@@H](CN2C1=CC(=N2)CN=[N+]=[N-])F	PC-id_162349460	181.076	ARCOROGNLZWFOF-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009464
CC1C2=C(CN1)N(N=C2C)C(=O)O	PC-id_160673160	181.085	RNESJAWBNKPKRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009465
CC1CCC2=C1N(N=C2N)C(=O)O	PC-id_154013649	181.085	VSOBTBRSCVRRBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009466
CC1CC(N2C1=NC(=N2)C(=O)O)C	PC-id_165399410	181.085	IBUKJWYAQNHAGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009467
CCOC(=O)N1C=C2CNCC2=N1	PC-id_154458520	181.085	SZYJXWQZYITZMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009468
COCCN1C2=C(C=N1)C(=O)NC2	PC-id_161491205	181.085	WFQBCAYPOGYLSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009469
CC1=NC2=C(S1)CC[C@H]2C(C)C	PC-id_163647146	181.093	WXHFYSZYTVLCCU-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009470
CC1=NC2=C(S1)CC[C@@H]2C(C)C	PC-id_163647147	181.093	WXHFYSZYTVLCCU-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009471
OC(=O)c1cc2C(=O)NC(=O)c2o1	EMOLS-id_317911016,MCULE-4982786934	181.102	CLAGERXBZYCKLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009472
C[Si](C)(C)N1C2=C(CCC2)N=N1	PC-id_153715991	181.104	KQXPEYTWARNIJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009473
C[Si](C)(C)N1N=C2CCCC2=N1	PC-id_154011900	181.104	CLKRNVSEKRQBPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009474
CC(C)NC1=CC(=O)N2N1CCC2	PC-id_153908465	181.122	ZEXOAQWYKLECSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009475
C(CN1c2nonc2N[N+]1=O)C#N	PC-id_136790136	181.132	JBCAUVAINISDRJ-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-009476
COC(=O)N1Cc2c(C1=O)cco2	PC-id_102052386	181.145	SPISIBRQOSXXIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009477
o1c2C(NC(=O)c2c(c1)C)C(=O)O	PC-id_83816969	181.145	ZBDFAXBYKACTHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009478
o1c(nc2c1C(=O)OC2=O)C(C)C	PC-id_83875636	181.145	QTWZZDKDNTUODZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009479
o1nc2CCC(=O)c2c1CC(=O)O	PC-id_83863655	181.145	NGWGECNWEOKVPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009480
o1nc(c2c1CCC2=O)CC(=O)O	PC-id_83863437	181.145	KTARYHGIVQRKBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009481
o1nc(c2c1CCC2=O)C(=O)OC	PC-id_82408672	181.145	VJRMVZSKCIJQAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009482
OC(=O)C(=O)c1ccc2n1CCO2	PC-id_96628593	181.145	RIGDJQPIZPZLCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009483
O1C(=O)c2n(nnc2C1=O)C(C)C	PC-id_83816977	181.149	PSZZYLOHRVKFDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009484
o1ncc2C(=O)N(CCN)C(=O)c12	PC-id_84657693	181.149	NLUWAPBJZINCGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009485
O=C1c2n(nc(N)c2C(=O)O)CC1	PC-id_83672064	181.149	YHDSBZCLGGLPKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009486
O=C1n2c(C(N1)C(=O)O)cnc2C	PC-id_82408661	181.149	CWGFUBXHRRQGGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009487
O=C1n2c(C(N1)C(=O)O)c(nc2)C	PC-id_82408662	181.149	NNHHQYQOWPHOBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009488
O=C1NCc2c1nn(c2C(=O)O)C	PC-id_84039082	181.149	YMBXRYJEAOBGAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009489
O=C1NCc2c1n(nc2C(=O)O)C	PC-id_84039083	181.149	NCKKRDCHSNKDAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009490
O=C1N(Cc2n1cnc2)CC(=O)O	PC-id_83680767	181.149	PSFIBFOAGHZEMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009491
O=C1NC(c2n(ncc12)C)C(=O)O	PC-id_83816975	181.149	WZLXPESUSLSDQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009492
O=C1NC(c2nn(cc12)C)C(=O)O	PC-id_83816976	181.149	ZUTLHORNEZYLFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009493
O=C1N(C(=O)c2[nH]c(=O)n(c12)C)C	PC-id_83669588	181.149	LRBOKEUIVJXPIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009494
O=C(N1Cc2c(C1)c[nH]n2)C(=O)O	EMOLS-id_96791067,MCULE-9197648322	181.149	UIXVFXHAATVETJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009495
OC(=O)c1nn2c(c1N)N=NC2C	SCHEMBL2271072,PC-id_67342360	181.152	DWFHWIPZNIRKGS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009496
n12c(C(N=C1)C#N)c(c([N+]#[C-])c2)C#N	PC-id_53704676	181.154	YVXMDFLETJBVQU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009497
c12COCc1nn(CCF)c2C#N	MCULE-6787136971,EMOLS-id_324403036	181.167	HLIWYWJWGFESDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009498
c12CC(C)C(C(=O)O)c1c(C)no2	PC-id_112714720,MCULE-3006483554	181.189	GIIJKGLAAQYZBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009499
c1(C(=O)O)cc(n2CCC(O)c12)C	PC-id_112545310,MCULE-7004600851	181.189	RKADSCDCRRNZOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009500
CC1Cc2c(C1CC(=O)O)cno2	PC-id_112714717	181.189	DLCOMPGNYGXESM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009501
CC1Cc2c(C1(N)C(=O)O)cco2	PC-id_112714716	181.189	SYTAXUUEQXZKBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009502
CC1Cc2c(C1(N)C(=O)O)coc2	PC-id_112714715	181.189	UADMTPULHQZBNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009503
CC1Cc2c(C1(N)C(=O)O)occ2	PC-id_112714714	181.189	JTWMVMPMUVVNIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009504
CC1Cc2c(C1O)cc([nH]2)C(=O)O	PC-id_70289711,SCHEMBL8153545	181.189	RVYMYTPEUKVGEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009505
CC1Cc2c(C1(O)C(=O)O)c[nH]c2	PC-id_112714713	181.189	HXXLDYZJEOVSJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009506
CC1Cc2c(C1O)[nH]c(c2)C(=O)O	PC-id_70289692,SCHEMBL8153458	181.189	OQJZWINYKYNUMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009507
CC1Cc2c([C@@H]1O)[nH]c(c2)C(=O)O	PC-id_143725806	181.189	OQJZWINYKYNUMB-YJEMDFIKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009508
CC1CC(c2c1cc([nH]2)C(=O)O)O	SCHEMBL8159262,PC-id_70291050	181.189	PJQBYRCDNNWAPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009509
CC1CC(c2c1[nH]c(c2)C(=O)O)O	PC-id_70290722,SCHEMBL8157834	181.189	DPSIAYWTWMZKJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009510
CCC1CCc2c1onc2C(=O)O	EMOLS-id_96604644,PC-id_116177538	181.189	GFAKMSAZRFKKDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009511
C[C@H]1Cc2c([C@H]1O)cc([nH]2)C(=O)O	SCHEMBL12777355,PC-id_57659939	181.189	RVYMYTPEUKVGEB-NVNXEXLPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009512
C[C@@H]1Cc2c([C@@H]1O)[nH]c(c2)C(=O)O	PC-id_57659919,SCHEMBL12777356	181.189	OQJZWINYKYNUMB-SPGJFGJESA-N	00000010100000000000000010000000000000000000000000000000	25-01-009513
C[C@H]1C[C@H](c2c1cc([nH]2)C(=O)O)O	PC-id_57659953,SCHEMBL12777379	181.189	PJQBYRCDNNWAPT-MHTLYPKNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009514
C[C@@H]1C[C@@H](c2c1[nH]c(c2)C(=O)O)O	SCHEMBL12777360,PC-id_57659832	181.189	DPSIAYWTWMZKJL-FBCQKBJTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009515
CC(=O)c1c(n2CCCc2c1O)O	PC-id_136503633	181.189	HOJRPBXPGNEHAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009516
CCOC(=O)c1c2c(CNC2)oc1	MCULE-6233368422,PC-id_121229838,EMOLS-id_49433149	181.189	ABVBQJDIBFKYLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009517
CCOC(=O)C1Cc2c(N1)occ2	PC-id_70160689,SCHEMBL7678916	181.189	NNCJOUSBZGVNPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009518
CCOC(=O)c1cc2COCc2[nH]1	EMOLS-id_337931225	181.189	WTBASGMQRSBBKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009519
CCOC(=O)C1Nc2c(C1)occ2	PC-id_142691560	181.189	CZNVGNDLNVDKTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009520
CCOC(=O)c1[nH]cc2c1COC2	ZINC22_45814773,MCULE-5361707827,EMOLS-id_81839583,SCHEMBL19318769,PC-id_45116199	181.189	BMWJJLPDLLHJIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009521
CCOC(=O)c1noc2CCCc12	MCULE-1183003327,EMOLS-id_48596442,PC-id_23006225	181.189	CAJBQPZCGFXGKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009522
CCOC(=O)N1Cc2c(C1)cco2	PC-id_372542,CoCoCo_5711389,NSC647720	181.189	DEWWWQDZJOQUGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009523
COC1Cc2c(C1)cc([nH]2)C(=O)O	SCHEMBL8162454,PC-id_70291772	181.189	KNBPJETWHDOYAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009524
COC1CCc2c1cc([nH]2)C(=O)O	PC-id_70292105,SCHEMBL8163964	181.189	LCKJIYUHYOROLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009525
COC1CCc2c1[nH]c(c2)C(=O)O	PC-id_70292849,SCHEMBL8167683	181.189	XMJBXYXFNHGGIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009526
COc1cc(n2c1CCC2)C(=O)O	PC-id_112545311	181.189	FOUDOKNMXZCNNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009527
CO[C@H]1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_57659941,SCHEMBL12777469	181.189	KNBPJETWHDOYAX-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009528
CO[C@H]1CCc2c1cc([nH]2)C(=O)O	SCHEMBL12777494,PC-id_57659887	181.189	LCKJIYUHYOROLK-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009529
CO[C@@H]1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL12777466,PC-id_57659865	181.189	XMJBXYXFNHGGIQ-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009530
COC(=O)c1cc2c(n1O)CCC2	PC-id_141214812	181.189	MVYNQAGNJIJOML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009531
COC(=O)c1ccn2c1C[C@@H](C2)O	PC-id_141372705	181.189	OXERAESZZQFNCY-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-009532
COC(=O)c1ccn2c1C(O)CC2	PC-id_66985945,SCHEMBL1302219	181.189	HFWZPPCFHINXSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009533
COC(=O)CC1Cc2c(N1)cco2	PC-id_88977158	181.189	AJQLJODYHCOTHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009534
COC(=O)C[C@@H]1Nc2c(C1)occ2	SCHEMBL12903535	181.189	AJQLJODYHCOTHO-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009535
CONC(=O)c1occ2c1CCC2	EMOLS-id_114457682	181.189	WXMKHPJEKPWSEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009536
o1c2c(CCC2)cc1C(N)C(=O)O	PC-id_82600844	181.189	UQTOYWKUWBRYRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009537
o1c2c(CCC2)c(N)c1C(=O)OC	PC-id_84022398	181.189	VYOSYSRTFMISBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009538
o1c2C(CCc2nc1C)CC(=O)O	PC-id_83875646	181.189	GBOZXIGQESUIGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009539
o1c2CCC(c2nc1C)CC(=O)O	PC-id_83875647	181.189	GJGUBTXSGHVAKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009540
o1c2CCCc2nc1CCC(=O)O	PC-id_83949613	181.189	HLTUBMWRNDBHLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009541
o1c2c(CNC2)c(c1C)CC(=O)O	PC-id_84768331	181.189	DPSMGPLDJNBYSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009542
o1c2CCN(c2cc1CC(=O)O)C	PC-id_82600853	181.189	FODMPDABOLWYJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009543
o1c2c(CN(C2)C)cc1CC(=O)O	PC-id_82600855	181.189	QPZOQROQKJXOAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009544
o1c2c(CN(C2)C)c(c1C)C(=O)O	PC-id_84768332	181.189	UVTGFZMGHXGGMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009545
o1c2c(C(N)CC2)c(c1C(=O)O)C	PC-id_82378216	181.189	FFMCNFXMCZEWPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009546
o1c2c(C(N)(CC2)C(=O)O)cc1C	PC-id_83906470	181.189	DVAZPSHUHGGFIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009547
o1c2c(C(N)(CC2)C(=O)OC)cc1	PC-id_83906465	181.189	RMBAZSKZDYKYBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009548
o1c2C(N)(CCc2cc1C)C(=O)O	PC-id_83906467	181.189	DLFNKHWOOQDSGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009549
o1c2C(N)(CCc2cc1)C(=O)OC	PC-id_83906463	181.189	NMSAIAKBHQKPDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009550
o1c(c2CN(Cc2c1)CC)C(=O)O	PC-id_82372652	181.189	OXVUUCDNPXVCPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009551
o1c(c2CN(Cc2c1)C)CC(=O)O	PC-id_82408563	181.189	OLCRFNLNGXYCGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009552
o1c(c2C(N)CCc2c1C(=O)O)C	PC-id_82376316	181.189	LAHJJJJKPHUSGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009553
o1cc2C(N)(CCc2c1)C(=O)OC	PC-id_83906464	181.189	GZUTWAWLWUFJGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009554
O1Cc2c([nH]c(c2CC(=O)O)C)C1	PC-id_84768333	181.189	LHDXLBJWKJNPSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009555
O1C(c2nocc2C1)(CC)C(=O)C	PC-id_10103783	181.189	VPHBXIXHFMBQGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009556
O1C(c2nocc2C1)(C(=O)CC)C	PC-id_10442312	181.189	VPKBOXQGZRTXKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009557
o1nc2c(CCC2)c1CCC(=O)O	PC-id_83858699	181.189	HOBKTBUQOIWSLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009558
o1nc2c(CCC2)c1C(C)C(=O)O	PC-id_83858709	181.189	JONUMHIXJYMXPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009559
o1nc(c2CCC(c12)(C)C)C(=O)O	EMOLS-id_81805505,PC-id_80461800	181.189	YTSVITXBPVZUEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009560
o1ncc2C(CCc12)C(C)C(=O)O	PC-id_83906471	181.189	JRABBSHOCXSSDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009561
o1nc(c2C(CCc12)CC(=O)O)C	PC-id_83861477	181.189	IVQQLSKJHDCCIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009562
o1nc(c2C(CCc12)C(=O)O)CC	PC-id_83861449	181.189	UYCJQRRQANFSDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009563
OC1c2c([nH]c(c2C)C(=O)O)CC1	SCHEMBL8159149,PC-id_70291011	181.189	MNBDWWCRXYYWQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009564
OC1c2[nH]c(c(c2CC1)C)C(=O)O	PC-id_70290700,SCHEMBL8157767	181.189	CGIOTKGJYSCMDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009565
OC1Cc2c(C1C)cc([nH]2)C(=O)O	SCHEMBL8151332,PC-id_70289117	181.189	LHESQPGJZYZVCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009566
OC1Cc2c(C1)c(c([nH]2)C(=O)O)C	PC-id_70290697,SCHEMBL8157763	181.189	GBEYJZMACBHNPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009567
O(c1cc2n(C(=O)CC2)c1)CCO	PC-id_85547162	181.189	BOBDEKZGDNMHDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009568
OC1C(c2[nH]c(cc2C1)C(=O)O)C	PC-id_76585684	181.189	HECXVELIKLTMHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009569
OC1(Cc2[nH]c(cc2C1)C(=O)O)C	PC-id_76585685	181.189	FRHZBVKNGIPCBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009570
O[C@]1(Cc2[nH]c(cc2C1)C(=O)O)C	SCHEMBL8157837,PC-id_57659838	181.189	FRHZBVKNGIPCBR-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009571
OC1(CCc2c1cn(c2)C)C(=O)O	PC-id_83906462	181.189	JHIWMRUNTPVJBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009572
OC1(CCc2c1c[nH]c2)CC(=O)O	PC-id_83906461	181.189	SXVHELBKUKUSRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009573
OC1(CCc2c1[nH]c(c2)C(=O)O)C	PC-id_76585683	181.189	ITPKOQKMWOSRHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009574
O[C@@]1(CCc2c1[nH]c(c2)C(=O)O)C	SCHEMBL12777363,PC-id_57659817	181.189	ITPKOQKMWOSRHA-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009575
OC1(CCc2n(ccc12)C)C(=O)O	PC-id_82408622	181.189	BVFXVLLWKFTPGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009576
OC1(CCc2[nH]c(cc12)C(=O)O)C	PC-id_76585693	181.189	BSXQYWODXGKPBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009577
O[C@]1(CCc2[nH]c(cc12)C(=O)O)C	SCHEMBL8144804,PC-id_57659934	181.189	BSXQYWODXGKPBV-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-009578
OC(c1cn2c(CCC2)c1)C(=O)O	PC-id_82408629	181.189	PGAQMQOGXFADKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009579
OCC1(CO)Cn2c(C1=O)ccc2	CT-id_2226727,PC-id_139079219	181.189	JQNIMOJYXMVCST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009580
OCC(=O)c1cc2c(o1)CCN2C	PC-id_97703860	181.189	ICTODDDHAUTMFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009581
O[C@@H]1c2c([nH]c(c2C)C(=O)O)CC1	PC-id_57659896,SCHEMBL12777384	181.189	MNBDWWCRXYYWQC-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-009582
O[C@H]1c2[nH]c(c(c2CC1)C)C(=O)O	PC-id_57659885,SCHEMBL12777388	181.189	CGIOTKGJYSCMDR-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009583
O[C@H]1Cc2c(C1C)cc([nH]2)C(=O)O	PC-id_144126361	181.189	LHESQPGJZYZVCZ-FZSOOXKGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009584
O[C@H]1Cc2c(C1)c(c([nH]2)C(=O)O)C	SCHEMBL12777389,PC-id_57659861	181.189	GBEYJZMACBHNPD-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009585
O[C@@H]1Cc2c(C1C)[nH]c(c2)C(=O)O	PC-id_70289118,SCHEMBL8151340	181.189	HECXVELIKLTMHS-HWZXHQHMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009586
O[C@H]1Cc2c([C@H]1C)cc([nH]2)C(=O)O	SCHEMBL12777377,PC-id_57659908	181.189	LHESQPGJZYZVCZ-VHWMUFPASA-N	00000010100000000000000010000000000000000000000000000000	25-01-009587
O[C@@H]1Cc2c([C@@H]1C)[nH]c(c2)C(=O)O	PC-id_57659818,SCHEMBL12777365	181.189	HECXVELIKLTMHS-CLZZGJSISA-N	00000010100000000000000010000000000000000000000000000000	25-01-009588
c12CN(Cc1nn(C)c2C(=O)O)C	EMOLS-id_317874933,PC-id_83680011,MCULE-1327274015	181.192	QNUGILBEGIRSCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009589
c12CN(Cc1n[nH]c2C)CC(=O)O	MCULE-3535434106,EMOLS-id_317870838	181.192	YQMGOLKZDZTKLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009590
c12N(C)CCn1nc(C(=O)OC)c2	MCULE-4815596612,EMOLS-id_317866737	181.192	IRNQNHMQLJYHGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009591
c1(C(=O)OCC)cnn2CCNc12	MCULE-5525390133,SCHEMBL9020033,ZINC22_168992761,EMOLS-id_104394715,PC-id_136156080	181.192	QQRZIZCYKJXHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009592
c1(C(=O)OC)n2CCCc2nc1N	CoCoCo_6206006,EMOLS-id_5879547,PC-id_7326914,MCULE-8661508413,ZINC22_4705415,GD-id_ZINC04705415	181.192	ZEZTYLMYXMCWMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009593
CC1(c2c(CN1)cnn2C(=O)O)C	PC-id_90915796	181.192	XQSWEFRYEQZWFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009594
CC1(c2c(CN1C(=O)O)cn[nH]2)C	PC-id_89800953,SCHEMBL15252624	181.192	MMXZONHIRXEIIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009595
Cc1c2CC(Nc2n[nH]1)C(=O)OC	PC-id_137174734	181.192	JPKZAMPBTIIWHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009596
CC1c2c(n(nc2CN1)C(=O)O)C	PC-id_135388261,SCHEMBL20571431	181.192	LZEAMTDRBCPWFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009597
Cc1c2NCCn2nc1C(=O)OC	PC-id_137241694	181.192	ZEVUJBMACOFVIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009598
CC1(c2nn(cc2CN1)C(=O)O)C	PC-id_90908588	181.192	RNBSGNRRWPMKAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009599
CC1Cc2c(C1(N)C(=O)O)cn[nH]2	PC-id_112714721	181.192	WAQDLOAHOWTRAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009600
CC1(C)NCc2c(n[nH]c12)C(=O)O	EMOLS-id_317457436,MCULE-3144110856	181.192	ZZYOEWWRIDIASU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009601
Cc1nnc2n1CCC2(C)C(=O)O	EMOLS-id_317768792,PC-id_139026664,MCULE-2838985265	181.192	IQWLWCBHLFEZTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009602
Cc1nnc2n1CC[C@@]2(C)C(=O)O	ZINC22_1775955590	181.192	IQWLWCBHLFEZTN-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009603
Cc1nnc2n1CC[C@]2(C)C(=O)O	ZINC22_1775955591	181.192	IQWLWCBHLFEZTN-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009604
CCc1nnc2n1CCC2C(=O)O	SCHEMBL909239,PC-id_66839495	181.192	NNXGLRQLISXCBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009605
C=CCn1c(=O)n2n(c1=O)CCC2	PC-id_102523858	181.192	AKOWYMBSKYEZMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009606
CC(C(=O)N1CCn2c1ccn2)O	EMOLS-id_107162759	181.192	WGQIZFCIAPZGOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009607
C[C@H](C(=O)N1CCn2c1ccn2)O	EMOLS-id_114458316	181.192	WGQIZFCIAPZGOC-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009608
C[C@@H](C(=O)N1CCn2c1ccn2)O	EMOLS-id_114458583	181.192	WGQIZFCIAPZGOC-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009609
CCN1CCn2ncc(C(=O)O)c12	MCULE-8967909007,EMOLS-id_208152640	181.192	JSKMEABDQPPULY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009610
CCn1nc2c(c1C(=O)O)CNC2	PC-id_105439330	181.192	ZZABLGKOURKCAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009611
CCn1nc(c2c1CNC2)C(=O)O	PC-id_105439329	181.192	MKAQDSDLVTZACH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009612
CCNC(=O)c1cc2n(n1)CCO2	EMOLS-id_96833982	181.192	OKHCYGBWBQTWLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009613
CCOC(=O)c1c2CCNc2n[nH]1	PC-id_137187063	181.192	WCASDTZBZZYFIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009614
CCOC(=O)c1cc2NCCn2n1	MCULE-3714386882,EMOLS-id_106084155,PC-id_137077433	181.192	WQRYNJSKIIWLIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009615
CCOC(=O)C1NCc2n[nH]cc12	EMOLS-id_277327077,MCULE-8886502367	181.192	ODSINAJSJPCNSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009616
CCOC(=O)c1[nH]c2c(n1)CNC2	SCHEMBL17380238,PC-id_118613978	181.192	OJSKOFCQTDISPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009617
CCOC(=O)c1nn2CCCc2n1	SCHEMBL20645803,PC-id_137412406	181.192	LYNLMZCSBPAGIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009618
CCOC(=O)c1nnc2n1CCC2	PC-id_63355805,EMOLS-id_39770788	181.192	GDSFKIDCDKASSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009619
CCOC(=O)c1n[nH]c2c1CNC2	SCHEMBL4947140,EMOLS-id_194987814,MCULE-7496165872,PC-id_69251993,ZINC22_204381738	181.192	OWUQEUFWBVGZJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009620
CCOC(=O)[C@@H]1NCc2c1cn[nH]2	PC-id_141411247	181.192	ODSINAJSJPCNSV-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009621
CCOC(=O)N1Cc2c(C1)c[nH]n2	MCULE-8434188328	181.192	WWNNVPXZBAGWKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009622
CCOC(=O)n1nc2CCCc2n1	PC-id_91666212	181.192	IAAVRNKXMOQAFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009623
CCOC(=O)n1ncc2c1CNC2	PC-id_140141773	181.192	KTJPTXXCTVLGEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009624
CC(=O)OCc1nnn2c1CCC2	ZINC22_1617330,PC-id_360960,CoCoCo_5680378,NSC623688	181.192	KTWYCDBFLVQSAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009625
CN1Cc2c(C1CC(=O)O)nc[nH]2	SCHEMBL17773064,PC-id_121354816	181.192	ZLTXKGHLLJEEQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009626
Cn1c(c2CCNc2n1)C(=O)OC	PC-id_137234609	181.192	PFDZROXCTFNHNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009627
Cn1nc2c(c1CC(=O)O)CNC2	PC-id_112711093	181.192	HJURWEINJNJZBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009628
Cn1nc2c(c1C(=O)OC)CNC2	PC-id_105439313	181.192	WVNHASFEZZWAQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009629
CN(C(=O)c1cc2n(n1)CCO2)C	EMOLS-id_114458595	181.192	NHBQQFKLWMWQQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009630
CNC(=O)O[C@H]1CCn2c1ncc2	PC-id_138631361,SCHEMBL20998179	181.192	HSYFLGAYDYRCST-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009631
COCC(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_107789993,MCULE-4005504341	181.192	MCONPFYQFYQIPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009632
COC(=O)c1cc2[N]N=Cc2s1	EMOLS-id_317679830	181.192	ZJUNQDCAQSDWBZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009633
COC(=O)C1CCc2nnc(C)n12	EMOLS-id_42802832,PC-id_10241424,MCULE-7933531423	181.192	BTSLIEXNBPMOGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009634
COC(=O)c1nc2c(n1C)CNC2	SCHEMBL17380693,PC-id_118614421	181.192	CUFOULGEYROGKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009635
COC(=O)C1NCc2c1cnn2C	MCULE-2348364584,EMOLS-id_317666962,PC-id_138991234	181.192	FCAQUQMDLKBHRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009636
COC(=O)C1NCc2nn(C)cc12	PC-id_136576042,MCULE-5074322274,EMOLS-id_313095378	181.192	DCKSEGAPVVZYTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009637
COC(=O)c1nn(c2c1CNC2)C	PC-id_105439314	181.192	BXEIOIXHRBRPOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009638
COC(=O)Cc1c2CCNc2n[nH]1	PC-id_137174717	181.192	CCBMKVCDNOCSII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009639
COC(=O)CC1NCc2n[nH]cc12	MCULE-6461844846,EMOLS-id_277373228	181.192	RPJIQQOLTIGEJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009640
COC(=O)Cc1nnc2n1CCC2	PC-id_79472434,EMOLS-id_42304805	181.192	IXZJRWNJQXGGDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009641
COC(=O)[C@@H]1CCc2nnc(C)n12	EMOLS-id_337192813,ZINC22_38416205,PC-id_93477571	181.192	BTSLIEXNBPMOGD-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009642
COC(=O)[C@H]1CCc2nnc(C)n12	ZINC22_38416206,PC-id_93477572	181.192	BTSLIEXNBPMOGD-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009643
COC(=O)[C@@H]1NCc2c1cnn2C	ZINC22_1772801284	181.192	FCAQUQMDLKBHRU-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009644
COC(=O)[C@H]1NCc2c1cnn2C	ZINC22_1772801285	181.192	FCAQUQMDLKBHRU-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009645
COC(=O)CN1CCc2n1ccn2	SCHEMBL9019993,PC-id_67749925	181.192	ZJOXKXPTVSRTGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009646
COC(=O)CN1CCn2c1ccn2	PC-id_18955286,SCHEMBL9019991	181.192	BYMJRBWOSLPWJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009647
COC(=O)N1Cc2c(C1)c([nH]n2)C	SCHEMBL17232775,PC-id_118491740	181.192	LCBBJYVBKFDUQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009648
COC(=O)N1Cc2c(C1)cnn2C	PC-id_118974427,SCHEMBL17624460	181.192	DVHXSFGBSOPRNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009649
COC(=O)N1Cc2c(C1)cn(n2)C	SCHEMBL17624333,PC-id_118974317	181.192	UIBAQNNIVOVJSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009650
CONC(=O)c1n[nH]c2c1CCC2	EMOLS-id_97227679	181.192	XVVQKHJFGVNRHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009651
n12CCCc1ncc2C(N)C(=O)O	MCULE-2043114349	181.192	QEHLYNOSLWETEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009652
n12CCCc1nnc2CCC(=O)O	PC-id_62875505,MCULE-3375633124,ZINC22_61448368,EMOLS-id_39421470	181.192	KUUYPFCGHXQZGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009653
n1n(CC(=O)OC)cc2c1CNC2	SCHEMBL13562690,MCULE-6176953240,PC-id_70926972	181.192	VZYLSQFIYHYGKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009654
Nc1c2CCCc2nn1CC(=O)O	EMOLS-id_41192225,MCULE-1700105497,PC-id_65348835	181.192	OLXTUGKHTVRXCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009655
NCc1c(C(=O)O)c2n(CCC2)n1	MCULE-7613626069,PC-id_145910352,ZINC22_1857778156,EMOLS-id_317866741	181.192	HSNIPFUEECULKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009656
NC(C(=O)O)c1cc2CCCn2n1	PC-id_82654437,EMOLS-id_324138809	181.192	YSXGUHKQXOBIIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009657
NC(C(=O)O)c1n[nH]c2CCCc12	EMOLS-id_313914707,MCULE-2607144953,PC-id_84657803	181.192	UDMWFWOIYBEMRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009658
O1C(Cn2nc3n(CCC3)c2=O)C1	SCHEMBL3521417,PC-id_57927435	181.192	UGWXRWIFRRIXDY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-009659
O=c1n(c2c([nH]1)CN(C2)C)CC=O	PC-id_82408485	181.192	KQEBSGPSYZYJDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009660
O=c1n(c2N(CCc2[nH]1)C)CC=O	PC-id_82408486	181.192	SZEVOUWNXBZVRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009661
O(C1N(C(=O)c2n(ncc12)C)C)C	PC-id_13906310	181.192	UHUIQAKOFMDVOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009662
O(C1N(C(=O)c2nn(cc12)C)C)C	PC-id_13906315	181.192	CPNIVVYEDABKAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009663
OC(=O)C1CC(c2c1c(N)n[nH]2)C	PC-id_112716729	181.192	AHHQOPBVSKBXID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009664
O(C(=O)C1CCc2[nH]nc(N)c12)C	PC-id_84022402	181.192	AVJMVUWSVTYTMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009665
OC(=O)C1CCc2nn(c(N)c12)C	PC-id_84022401	181.192	ARCPRUTWLATGNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009666
OC(=O)C1Cn2c(nnc2CC)C1	PC-id_83816998	181.192	ZPMUPMRZXRJOBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009667
OC(=O)C1n2c(nnc2CC)CC1	PC-id_82408556	181.192	JMAGEPSRMIHOHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009668
OC(=O)C1(N)Cc2c(C1)c([nH]n2)C	PC-id_112489279	181.192	KCBBFNZIHCCDIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009669
OC(=O)C1NCc2nc(n(c12)C)C	PC-id_82408522	181.192	OCURPHXYNWGHHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009670
OC(=O)C1NCc2[nH]c(nc12)CC	PC-id_82408523	181.192	LHLJACXNEWLVIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009671
OC(=O)C1N(Cc2[nH]c(nc12)C)C	PC-id_82408524	181.192	HDOHPIVLEABVDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009672
O(C(=O)C1(N)CCc2[nH]ncc12)C	PC-id_83906472	181.192	INUIIYBUWREJJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009673
OC(=O)C1(N)CCc2nn(cc12)C	PC-id_83906476	181.192	QDTVZCGFJVGELW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009674
OC(=O)C1(N)CCc2n(ncc12)C	PC-id_83906477	181.192	IOEBTHNSPQXYDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009675
OC(=O)C1(N)CCc2n[nH]c(c12)C	PC-id_83906474	181.192	NBBMJHPZEMCUDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009676
OC(=O)c1nn(c2c1CN(C2)C)C	PC-id_83680009	181.192	BQSMEVIHSIMGJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009677
OC(=O)c1nn(c2CCN(c12)C)C	PC-id_84049525	181.192	GOEWETHBKINUFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009678
OC(=O)c1n[nH]c2CN(Cc12)CC	PC-id_83914990	181.192	ONBVISOALMCCMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009679
OC(=O)CC1CCc2nnn(c12)C	PC-id_83875710	181.192	SITFMBCCJIKINK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009680
OC(=O)CC1CCc2n(nnc12)C	PC-id_83875711	181.192	LUKJFBMTZCJMJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009681
OC(=O)C(C1CCn2c1ncc2)N	MCULE-3514857150	181.192	SPEAFAKTRNEDNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009682
OC(=O)Cc1n2CCN(c2nc1)C	PC-id_82408472	181.192	GGFIGTGMOBCLFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009683
OC(=O)Cc1nc(c2n1CCN2)C	PC-id_96628512	181.192	VMQKVZVATKGSBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009684
OC(=O)Cc1nn2CCN(c2c1)C	PC-id_82654459	181.192	LHMDGPLIFGASQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009685
OC(=O)C(c1nn2c(n1)CCC2)C	PC-id_112489263	181.192	OBPZRWICQHEKPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009686
OC(=O)Cc1nn(c2c1CNC2)C	PC-id_83862237	181.192	JIOVTBRZRIDVRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009687
OC(=O)C(c1nnc2n1CCC2)C	PC-id_112489280	181.192	NJKTYRHGSLJINN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009688
OC(=O)Cc1n[nH]c2c1CN(C2)C	PC-id_83862249	181.192	ABHYLPDLQSKIFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009689
OC(=O)CCc1ncc2n1CCN2	PC-id_98774191	181.192	PQSLYKUMWFNVQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009690
OC(=O)CCc1[nH]c2c(n1)CNC2	PC-id_83949442	181.192	WJZLLNRXVHWXST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009691
OC(=O)CCc1nn2CCCc2n1	PC-id_82600885	181.192	KNDMPOHNGZJCQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009692
OC(=O)CCc1n[nH]c2c1CNC2	PC-id_82408482	181.192	VJLSHQZCLSDHJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009693
OC(=O)CCc1n[nH]c2c1NCC2	PC-id_82408481	181.192	ZFCDZEXIQKDKJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009694
O=C(O)CCN1CCn2ccnc12	ZINC22_1875280774	181.192	RZHJKIHRNVCWIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009695
OC(=O)[C@@H](n1c2c(nc1)CNC2)C	PC-id_82408547	181.192	ZKYDZDPHUIRSIB-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009696
OC(=O)CNC1CCn2c1ncc2	EMOLS-id_313773918	181.192	VGLCPOIBGCNBJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009697
OC(=O)C(N)c1n2CCCc2cn1	PC-id_82654436	181.192	ZLWSODDEXWMDBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009698
OC(=O)C(N)c1nc2n(CCC2)c1	PC-id_82408521	181.192	BWOJVVMBGSAQFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009699
OC(=O)N1Cc2c(C1)c(nn2C)C	SCHEMBL4704653,PC-id_69153335	181.192	FLBYAJQCAVNDHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009700
[O-][N+](=O)CCc1n[nH]c2CCCc12	EMOLS-id_313877330,MCULE-5118502114	181.192	UNHITZCGVRTJMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009701
CCOc1nn2c(c1N)N=NC2C	PC-id_69733107,SCHEMBL6287804	181.195	FMGUSIJITWOEAP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009702
CNC(=O)Nc1cc2n(n1)CCN2	SCHEMBL12307394,PC-id_136164149	181.195	RHUSUKZDOAWVLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009703
NC(=O)NCc1nnc2n1CCC2	EMOLS-id_96808862	181.195	DYDKKQAVXQDPFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009704
OCCC1N=Nc2n1nc(c2N)C	PC-id_145844606	181.195	HHYSRHAUFCVREU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009705
O=C(N1Cc2c([nH]nc2N)C1)NC	PC-id_84657846	181.195	WNZKPMLIPVFHSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009706
O=C(N1Cc2c(nn(c2N)C)C1)N	PC-id_84657845	181.195	GKMVZWQUAQYJSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009707
O(NC)CC1=Nn2c(nnc2C)C1	PC-id_22944592	181.195	XYMPZNPRWNWOEU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009708
n12nc(N)c(N)c1N=NC2CCN	SCHEMBL6627863,PC-id_67551218	181.198	WKHKUQZQXOLSOL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009709
c1(C#N)c2COCc2sc1OC	EMOLS-id_331061038,MCULE-6390047918	181.212	FJOGBROFKPWUBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009710
Cc1c2c(c(s1)C)C(=O)NC2=O	PC-id_89857010,SCHEMBL15326774	181.212	BLUBABMILPNIIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009711
CCN1C(=O)c2c(C1=O)csc2	PC-id_68323970,SCHEMBL12600696	181.212	XOVLCXLYQXLUSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009712
CCN1C(=O)c2c(C1=O)scc2	PC-id_68324240,SCHEMBL12601431	181.212	IQXQPTJWXDRHLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009713
CC(=O)c1sc2c(c1)C(=O)CN2	PC-id_67551041,SCHEMBL6627374	181.212	TVMFZLMVRNBMMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009714
CN1C(=O)c2c(C1=O)c(sc2)C	SCHEMBL18950200	181.212	QGJILKVTBHJIDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009715
COC(=O)C1=Nc2c(C1)ccs2	PC-id_70164715,SCHEMBL7694018	181.212	YEUNIDKVBUNMOZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-009716
O(C1C[n+]2n(C1)ccc2)C(=O)CC	PC-id_21822332	181.212	BYFFKBMFRFDVBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009717
s1c2CC(N)C(=O)c2cc1C=O	PC-id_82600945	181.212	ZXUGGFOODIVOKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009718
s1c2c(N(CC2=O)C)cc1C=O	PC-id_82408441	181.212	AIQJKBQPRVDEDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009719
s1c2c(N(CC2=O)C(=O)C)cc1	PC-id_44133438	181.212	AZCGULRNYFSQIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009720
s1c2c(N(C(=O)C2)C(=O)C)cc1	PC-id_49874834	181.212	MBDNHIVIUPCYEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009721
s1c2N(CC(=O)c2cc1C=O)C	PC-id_82408431	181.212	PGXRFDWQMYTKCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009722
s1c2NC(=O)Cc2cc1C(=O)C	PC-id_85801899	181.212	KCXWMGNVQRATPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009723
s1c(c2c(CNC2=O)c1C=O)C	PC-id_82600947	181.212	OZOJBULZYXTQGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009724
s1c(c2c(N(CC2=O)C)c1)C=O	PC-id_82408429	181.212	YCAIAUKRYRJPRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009725
s1c(c2N(CC(=O)c2c1)C)C=O	PC-id_82408439	181.212	DZNFRQDSVGSEQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009726
Cc1nc2c(s1)N=C(C2)C(=O)N	PC-id_68539583,SCHEMBL3178873	181.215	JMNMYYDPJIDIHD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009727
CC(=O)Nc1c2NCCn2[n+](c1)C	SCHEMBL14699760,PC-id_89407886	181.215	RRTUUTJFRPYVQA-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-009728
CC(=O)N[n+]1c(N)cn2c1CCC2	CoCoCo_5900503,PC-id_33778403	181.215	YQWYEJWXMGQTAL-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-009729
NNC(=O)Cn1cc[n+]2c1CCC2	PC-id_102196613	181.215	ACOLUJQTVXCQBH-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-009730
S1Cc2n(c(=O)[nH]c2C1)CC#N	PC-id_82408422	181.215	NEXKCKJCAWNSPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009731
S1CCn2c1nc(c2N=C=O)C	PC-id_83915010	181.215	UODDCXRVEPAOGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009732
S=c1n(c2c([nH]1)COC2)CC#N	PC-id_82408423	181.215	UQHDFJDVUHQMAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009733
CNC1Nc2c(cnn2S1)C#N	PC-id_137197468	181.218	WSSOXUABDTYUOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009734
CC1Cc2c(C1(O)CCN)cco2	PC-id_112714729	181.232	YCMGYYMSLVANST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009735
CCO[C@@H]1CCn2c1c(CO)cc2	PC-id_101631825	181.232	OVHPQIOLDFXAAA-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009736
CCOOCc1cc2c([nH]1)CCC2	PC-id_88255950,SCHEMBL8153296	181.232	JAMNYKXEWNGDOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009737
NCC1(O)C(C)Cc2c1oc(c2)C	PC-id_112714723	181.232	GMTZODUSFQXKNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009738
NCCC1(O)C(C)Cc2c1occ2	PC-id_112714727	181.232	QFCZJMVXKXBJJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009739
o1c2c(CCC2)c(c1C)CN(O)C	PC-id_84768468	181.232	MPMGBAPARJUONX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009740
o1c2c(CCC2)cc1C(N)CCO	PC-id_82600972	181.232	WUZKYWKWNIMYGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009741
o1c2c(CCC2)cc1C(O)CCN	PC-id_82600973	181.232	QLFKNYKWYQMBRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009742
o1c2c(CCC2)c(c1COC)CN	PC-id_83610067	181.232	JTCIERCUHPHAPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009743
o1c2c(CCC2)cc1C(O)CNC	PC-id_82600971	181.232	QXBNWJHLFYJRJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009744
o1c2c(CCC2)c(C(N)CO)c1C	PC-id_84768447	181.232	ZRGAORLMDTZJTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009745
o1c2c(CCC2)c(C(O)CN)c1C	PC-id_84768450	181.232	JGDITKIGZDGHGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009746
o1c2CC(C)C(CN)(O)c2cc1C	MCULE-9878210240,PC-id_112714726	181.232	SIZNAGDMWZPALB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009747
o1c2c(C(N)(CC2)CO)cc1CC	PC-id_83906515	181.232	XQQKENUPHIQGHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009748
o1c2c(C(O)(CC2)CN)cc1CC	PC-id_83906506	181.232	SNURSIRQQYKIHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009749
o1c2CN(Cc2cc1CO)C(C)C	PC-id_15721853	181.232	QTRZKWNBTHIIOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009750
o1c2C(N)(CCc2cc1CC)CO	PC-id_83906514	181.232	ZPIPTSUITFWJNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009751
o1c2C(O)(CCc2cc1CC)CN	PC-id_83906505	181.232	GGSGWIVYLIKGCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009752
o1c2C(O)(CCc2cc1C)CCN	PC-id_83906509	181.232	OVDRGRRNVAUYIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009753
o1cc2CC(C)C(CCN)(O)c2c1	PC-id_112714728,MCULE-9507537919	181.232	VJKSAMZOUHFLEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009754
o1c(c(c2c1COC2)CN)C(C)C	PC-id_84768430	181.232	OPTGVKWSSPJSDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009755
O(C1c2n(CC1)ccc2COC)C	PC-id_591730	181.232	UCRQCSXSUGLGGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009756
OC1c2n(CC1)ccc2COCC	PC-id_85609856	181.232	YIOBFNFFOBEDCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009757
OC1(CCc2oc(cc12)C)CCN	PC-id_83906512	181.232	AMCOEUHRYSYCRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009758
OC1(CCc2oc(cc12)C)C(N)C	PC-id_82408377	181.232	UQXUHPPKQDHMBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009759
OC1(CCc2occc12)C(N)CC	PC-id_82408379	181.232	IWTYLZCGYAMXEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009760
OCc1c2n(CCC2)c(c1CO)C	PC-id_12367687	181.232	DCSOHYZIMCSFRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009761
OCC1(N)C(C)Cc2c1cc(o2)C	PC-id_112714734	181.232	YHHOEMSOLBKVEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009762
OCC1(N)C(C)Cc2c1oc(c2)C	PC-id_112714731	181.232	IOOWSLYGQIHFCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009763
OCc1noc2c1C(C)(C)CC2C	PC-id_106664549,EMOLS-id_107164966	181.232	FFUZRPUBCVDNPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009764
s1c2CC(Cc2c(c1)C(=O)[O-])C	PC-id_74572413	181.232	NIIQEOAKRRGKNS-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-009765
s1c2C[C@H](Cc2c(c1)C(=O)[O-])C	PC-id_28856150	181.232	NIIQEOAKRRGKNS-YFKPBYRVSA-M	00000010100000000000000010000000000000000000000000000000	25-01-009766
s1c2C[C@@H](Cc2c(c1)C(=O)[O-])C	PC-id_28856156	181.232	NIIQEOAKRRGKNS-RXMQYKEDSA-M	00000010100000000000000010000000000000000000000000000000	25-01-009767
c12C(C(C)C)CNc1nn(C)c2O	EMOLS-id_49191455,MCULE-3622699114	181.235	GAYIMMMODCNRSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009768
c12CC(C)C(N)(CO)c1c(C)n[nH]2	MCULE-4188581850,PC-id_112714743	181.235	GKPWEBPHUUCRGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009769
c12CN(Cc1nn(C)c2CCO)C	MCULE-1534689967,EMOLS-id_317879282	181.235	MZSLVVDRQCRMMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009770
c12COCc1nn(CC)c2CNC	MCULE-4399412080,EMOLS-id_324400217	181.235	FESDPJBUJDPSHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009771
c12COCc1nn(CCC)c2CN	MCULE-4879514413,EMOLS-id_324402264	181.235	CZDZIVQZHRYDTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009772
C1c2cn(nc2CN1)CCCCO	SCHEMBL20046152,PC-id_134413788	181.235	JXPIPWCCESKUQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009773
C1(CN)(O)c2cn(C)nc2CC1C	PC-id_112714738,MCULE-9967656729	181.235	FABZPFPEVNEVEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009774
C1(CN)(O)c2cnn(C)c2CC1C	PC-id_112714739,MCULE-7043088447	181.235	FDYDIRVXPQUOCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009775
c1(NC(C)CN)oc2c(CCC2)n1	MCULE-2696672518,PC-id_112709489	181.235	KXSMJQZXZXZZCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009776
C1(N)(CO)c2cn(C)nc2CC1C	MCULE-4200195648,PC-id_112714745	181.235	GJQFRNWEGJUXAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009777
C1(N)(CO)c2cnn(C)c2CC1C	MCULE-1937088306,PC-id_112714746	181.235	RTRYWPPVZWZNFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009778
CC1(c2c(C(N1O)(C)C)[nH]nc2)C	PC-id_134842361	181.235	MFKLJUONOIRAEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009779
CC1Cc2c(C1(O)CCN)cn[nH]2	PC-id_112714740	181.235	RUIICLIHEJETIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009780
Cc1n2CCOc2nc1C(N)(C)C	PC-id_96628338	181.235	MALSZPFEDBILQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009781
Cc1nc2n(c1CCCN)CCO2	PC-id_96628337	181.235	QCPSVBMXLTVEKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009782
CC1OCc2c1nc([nH]2)C(N)(C)C	PC-id_102970365	181.235	RVVVKKUVKGMJAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009783
CC(C1(C)Oc2n(C1)cc(n2)N)C	PC-id_89299645,SCHEMBL14304995	181.235	ORVDCUQVUKEIKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009784
CC(C)C1CNc2[nH]n(C)c(=O)c12	EMOLS-id_323936975,PC-id_102549466	181.235	RUSCPCGTNWVNJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009785
CC(C)[C@@H]1CNc2nn(C)c(O)c12	ZINC22_110757780	181.235	GAYIMMMODCNRSA-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009786
CC(C)[C@H]1CNc2nn(C)c(O)c12	ZINC22_110757784	181.235	GAYIMMMODCNRSA-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009787
CC(C)Cn1nc2CNCc2c1O	EMOLS-id_324340327,MCULE-5135288562	181.235	AGFQRTUTZCEFHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009788
CC(C)Cn1nc2COCc2c1N	EMOLS-id_324399187,MCULE-5086464143,PC-id_105439574	181.235	UGIRHJXJLVERNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009789
CC([C@@H]1CNc2c1c(=O)n([nH]2)C)C	PC-id_99110295	181.235	RUSCPCGTNWVNJZ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009790
CC([C@H]1CNc2c1c(=O)n([nH]2)C)C	PC-id_99110297	181.235	RUSCPCGTNWVNJZ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009791
CC[C@H](c1nc2c([nH]1)COC2C)N	PC-id_102970369	181.235	SJNJLHJZAPYEBU-PRJDIBJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009792
CC[C@@H](c1nc2c([nH]1)COC2C)N	PC-id_102970397	181.235	SJNJLHJZAPYEBU-GDVGLLTNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009793
CC(Cn1nc2c(c1N)CCC2)O	EMOLS-id_96765579	181.235	POCWIIYPAMXFSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009794
CC(Cn1nc(c2c1COC2)N)C	PC-id_105439563	181.235	CAOQIXYHNNLZTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009795
CC(Cn1[nH]c2c(c1=O)CNC2)C	PC-id_105439573	181.235	ULRDIFCNCSVIDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009796
CC(Cn1[nH]c(=O)c2c1CNC2)C	PC-id_105439562	181.235	ZSYDKFRBVFWBOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009797
CC(CNC1CCn2c1ncc2)O	EMOLS-id_265398124	181.235	UJSRJKCCHKSIPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009798
CCCNc1cn2n(c1=O)CCC2	PC-id_141422604	181.235	YRFSDNZIFZEKHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009799
CC(CNc1oc2c(n1)CCC2)N	PC-id_112709488	181.235	GXJBKAXCGXMMNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009800
CC(C)(ON)c1n[nH]c2CCCc12	MCULE-4815457231,EMOLS-id_313883225	181.235	WPEBNSRFWPCQDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009801
CC(CON)c1n[nH]c2CCCc12	MCULE-5050950391,EMOLS-id_313883737	181.235	CVXUKNWERKGBMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009802
C[C@@H](CNC1CCn2c1ncc2)O	EMOLS-id_265395674	181.235	UJSRJKCCHKSIPX-JAMMHHFISA-N	00000010100000000001000010000000000000000000000000000000	25-01-009803
C[C@H](CNC1CCn2c1ncc2)O	EMOLS-id_265395815	181.235	UJSRJKCCHKSIPX-GVHYBUMESA-N	00000010100000000001000010000000000000000000000000000000	25-01-009804
CC(N1Cc2c(C1)c(=O)[nH]n2C)C	SCHEMBL19449298,PC-id_83846685	181.235	VJVFRJXNDCZYBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009805
CCN1Cc2cn(nc2C1)CCO	PC-id_89117714,SCHEMBL13563261	181.235	IUWTZZXPEBLKHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009806
CC(n1[nH]c(=O)c2c1CNC2)(C)C	PC-id_105439559	181.235	CTCIKVCBMZMFGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009807
CC(Nc1cn2n(c1=O)CCC2)C	PC-id_141080423	181.235	PUMYUYJZEFLHDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009808
CCNc1[nH]nc2c1COC2(C)C	EMOLS-id_96828100	181.235	AJYBLPDZUIGHQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009809
CCN(c1onc2c1CNC2)CC	PC-id_112711178	181.235	IZWKUTKNSUNIDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009810
CC(N)(CO)c1n[nH]c2CCCc12	MCULE-6115618936,EMOLS-id_313880401	181.235	RJIRFFMZJSIKON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009811
CC(O)(CN)c1n[nH]c2CCCc12	MCULE-8428355642,EMOLS-id_313876562	181.235	JPPLLELOIHXREB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009812
CCONC1CC(n2c1ncc2)C	EMOLS-id_265396949	181.235	GSGMLSRNEUXEIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009813
CC(ONC1CCn2c1ncc2)C	EMOLS-id_265398733	181.235	USNSWJXDSAQORA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009814
CN1Cc2c(C1)c(=O)n([nH]2)C(C)C	PC-id_105439571	181.235	PHSLNKYXZRUYMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009815
CN1Cc2c(C1)n([nH]c2=O)C(C)C	PC-id_105439560	181.235	NEFMBFVHQODBAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009816
CNc1n(nc2c1COC2)C(C)C	PC-id_112711068	181.235	QINKKOAZWOGIPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009817
CNCc1nc2c([nH]1)COC2(C)C	EMOLS-id_96828196	181.235	UGEHPQYNHOTEMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009818
CNCc1n(C)nc2c1C(O)CC2	PC-id_112711207	181.235	ZYPSFEOTGFUIBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009819
CNCC(c1cnc2n1CCC2)O	EMOLS-id_194548855	181.235	YVTMZKCNPDXJLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009820
CNCC(O)c1n[nH]c2CCCc12	PC-id_84658033,MCULE-4460195689,EMOLS-id_313890643	181.235	HQHZCWDPMFEWJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009821
COCC(c1ccn2c1NCC2)N	PC-id_112489245	181.235	CDWPAHLLYUVGPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009822
COCCN1Cc2c(C1)c([nH]n2)C	PC-id_118491647,SCHEMBL17232663	181.235	IDDQOGRRALXHJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009823
COCCn1nc2c(c1)CN(C2)C	SCHEMBL17624277,PC-id_118974268	181.235	ZJKACKBPUBEDPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009824
COCCn1nc2c(c1N)CCC2	SCHEMBL20939719,PC-id_138580812	181.235	WMBVGWXWUGFBHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009825
COCCn1nc(c2c1CCC2)N	SCHEMBL20939720,PC-id_138580813	181.235	CVBZEONDWNMIFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009826
COCCn1ncc2c1CN(C2)C	PC-id_118974020,SCHEMBL17624018	181.235	BCIULLHPTFHGTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009827
COCCNc1[nH]nc2c1CCC2	PC-id_63048844,EMOLS-id_39560656	181.235	MVVSAYUISSTGES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009828
n1c2CCCc2[nH]c1NCCCO	PC-id_66490469,MCULE-3521549183,EMOLS-id_50077590	181.235	HYDKHNQUSCYWPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009829
n1(C(C)C)c2COCc2c(NC)n1	MCULE-8391875276,PC-id_112711024	181.235	OYJRAEUMHBHYAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009830
n1c(C(O)C(C)N)cn2CCCc12	MCULE-7027392558	181.235	VFKYSGLEDNEVQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009831
n1n(CC(C)(O)C)cc2c1CNC2	MCULE-4728092565,PC-id_69930002,SCHEMBL6892272	181.235	XSXPBVAAHWMVCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009832
Nc1c2COCc2nn1C(C)(C)C	PC-id_105439572	181.235	UBRWTVPDYKBFCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009833
Nc1n2CCOc2nc1C(C)(C)C	PC-id_96628341	181.235	GRABBXBTXMJDQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009834
Nc1nc2c([nH]1)C(OC2(C)C)(C)C	EMOLS-id_96653608,PC-id_79933254	181.235	DGBBCBYAGBXDIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009835
Nc1nn(c2c1COC2)C(C)(C)C	PC-id_105439561	181.235	LYNVNPAEDLZWLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009836
NCc1nn(c2c1COC2)C(C)C	PC-id_112711038	181.235	ZSHLNAORBHHPCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009837
NCc1n(nc2c1COC2)C(C)C	PC-id_112711083	181.235	RWOPLPHKPSYJGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009838
NCC1(O)C(C)Cc2c1c(C)[nH]n2	PC-id_112714736	181.235	QANSGRSCNYTKCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009839
NCC(c1c(C)nc2n1CCC2)O	EMOLS-id_313724312,PC-id_112545567	181.235	HHWRENDQBIAXSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009840
NCCc1n(C)nc2c1C(O)CC2	PC-id_112711205	181.235	IVXZXSQFVMIULK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009841
NCCC1(O)CCc2c1c(C)[nH]n2	PC-id_112714741	181.235	TVFATUJBZHMJEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009842
NCC[C@@H](O)c1n[nH]c2CCCc12	EMOLS-id_313881946,MCULE-3592716215	181.235	BBNHWSDJIUZWLD-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009843
NCC[C@H](O)c1n[nH]c2CCCc12	MCULE-3443162781,EMOLS-id_313881434	181.235	BBNHWSDJIUZWLD-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009844
NCCCn1[nH]c2c(c1=O)CCC2	PC-id_105439576	181.235	LCJCWKWQMMUIDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009845
NCCCNc1oc2c(n1)CCC2	PC-id_112709487	181.235	GOXOSEDVXAYMJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009846
NCCC(O)c1cnc2CCCn12	MCULE-7565596020,EMOLS-id_207602110	181.235	FXRDTUWVKXTWQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009847
NCCCOc1n[nH]c2CCCc12	EMOLS-id_313868880,MCULE-6963851318	181.235	LBKTVHNJFDUPOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009848
NCC(CO)c1n[nH]c2CCCc12	EMOLS-id_313883482,MCULE-8090775708	181.235	UJJYPNFDZBFNCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009849
NC(CCO)c1n[nH]c2CCCc12	MCULE-2830551684,PC-id_84658032,EMOLS-id_313889108	181.235	KEOSNUAMLWTSNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009850
NCCC(O)c1n[nH]c2CCCc12	MCULE-7052950332,PC-id_84658031,EMOLS-id_313881690	181.235	BBNHWSDJIUZWLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009851
NC(CO)Cc1n[nH]c2CCCc12	EMOLS-id_313883994,MCULE-6922921451	181.235	MTWZMVIVCVWYKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009852
NCC(O)Cc1n[nH]c2CCCc12	MCULE-7430488983,EMOLS-id_313878352	181.235	VPZVSMSMOBXOQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009853
o1c2CCCc2nc1N(CCN)C	PC-id_83828384	181.235	LEXTYPIZFFXTMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009854
O1c2n(CC1)cc(c2C(N)CN)C	PC-id_82408234	181.235	SFSBQUGBSHAVFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009855
O1c2n(c(c(n2)C(N)CC)C)CC1	PC-id_82408355	181.235	RKMSNTKPGSKTPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009856
O1c2n(CC(N)(C)C)cnc2CC1	PC-id_82408340	181.235	BSLXONWUKBQXBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009857
O1Cc2n(CC(N)(C)C)cnc2C1	PC-id_82408341	181.235	BXBBLYZCPVKSJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009858
o1c(nc2c1CNC2)C(N)C(C)C	PC-id_83949309	181.235	QHHFAHPHPJHLGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009859
o1nc2c(CNC2)c1CCN(C)C	PC-id_83846632	181.235	MXDBSURMGDZMAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009860
o1nc2C(N(Cc2c1N)C(C)C)C	PC-id_83803090	181.235	KFACVPPIQHHSHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009861
o1nc2C(N(Cc2c1N)C)C(C)C	PC-id_83846667	181.235	IFLANYHUXGLJQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009862
o1nc2CN(C(c2c1N)C)C(C)C	PC-id_83846669	181.235	ATLVDBKJBIOPPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009863
o1nc2C(N(C(c2c1N)C)C)(C)C	PC-id_83846670	181.235	GITBWDFKWKPJQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009864
o1nc(N)c2c1C(N(C2)C)C(C)C	PC-id_83846659	181.235	IYNPWOAIYHSWLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009865
o1nc(N)c2C(N(Cc12)C(C)C)C	PC-id_83846661	181.235	PDNZKVYWXZKOSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009866
o1nc(N)c2C(N(C(c12)(C)C)C)C	PC-id_83846662	181.235	FILXLEAABJMKOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009867
o1nc(N)c2CN(C(c12)C)C(C)C	PC-id_83846663	181.235	RKMPHIKUZIUCLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009868
O=c1c2CNCc2[nH]n1C(C)(C)C	PC-id_105439570	181.235	YTMYKOAOWBBWFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009869
OC1c2c(n(nc2CCN)C)CC1	PC-id_83863530	181.235	AWNQMUYTCBRQDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009870
OC1c2c(n(nc2CNC)C)CC1	PC-id_83863532	181.235	AUTPNGTWZXKNQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009871
OC1(CCc2n(nc(c12)C)C)CN	PC-id_83906520	181.235	FLVVSVOOUMIVRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009872
OC1(CCc2nn(c(c12)C)C)CN	PC-id_83906521	181.235	WGWDVOUAEICCIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009873
OC1(CCc2nn(cc12)C)CCN	PC-id_83906526	181.235	BGUVIFZGTSSFQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009874
OC1(CCc2n(ncc12)C)CCN	PC-id_83906527	181.235	RASMTCDTYKESCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009875
O=c1[nH]n(c2C(N(Cc12)C)CC)C	PC-id_83846681	181.235	PBNUSPQKZZWSEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009876
O=c1[nH]n(c2C(N(Cc12)C)(C)C)C	PC-id_83846686	181.235	SKHNRYCYOCAEAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009877
O=c1[nH]n(c2C(NCc12)C(C)C)C	PC-id_83846687	181.235	YVNBDVBYYPOLIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009878
O=c1[nH][nH]c2C(N(C(c12)C)C)(C)C	PC-id_83846674	181.235	SZGVGHOAXAAFCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009879
O=c1[nH][nH]c2C(N(Cc12)C)C(C)C	PC-id_83846675	181.235	JLDFPKJECOEWEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009880
O=c1[nH][nH]c2CN(C(c12)C)C(C)C	PC-id_83846679	181.235	SNLRJHUCTKKBER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009881
O=c1[nH][nH]c2C(N(Cc12)C(C)C)C	PC-id_83846680	181.235	AOIWQCBHGLJXHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009882
O(c1n(nc2C(NCc12)CC)C)C	PC-id_83846614	181.235	KJISCEBEFNGIKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009883
O(c1n(nc2C(NCc12)(C)C)C)C	PC-id_83846616	181.235	NYWLJRXIWKLWMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009884
O(c1nn(c2C(NCc12)CC)C)C	PC-id_83846617	181.235	PJECENXNOKFGOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009885
O(c1nn(c2C(NCc12)(C)C)C)C	PC-id_83846619	181.235	OCMFONTWOMJOBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009886
O=c1n([nH]c2C(NCc12)C(C)C)C	PC-id_83846691	181.235	FIPNYGGQBFLKQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009887
OC(c1n2CCCc2cn1)CNC	PC-id_82654556	181.235	TWVGIMVWHWQVQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009888
OCC1(N)CCc2c1c(C)nn2C	PC-id_112714747	181.235	DLWQEAZCWSEBPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009889
OCC1(N)CCc2c1c(C)n(n2)C	PC-id_112714748	181.235	DMXLSIVHNSLNSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009890
OC(c1[nH]c2CCCc2n1)CCN	PC-id_84732386	181.235	WTKGJNRAIOOHJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009891
OC(c1nn2c(CCC2)c1)CCN	PC-id_82654497	181.235	URWODRFDSIGNAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009892
OC(c1nn2c(CCC2)c1)CNC	PC-id_82654557	181.235	CGTAJGGHMJCGBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009893
OC(c1nn(c2c1CCC2)C)CN	PC-id_84658026	181.235	SVLGAPKCNKBTON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009894
OC(c1n(nc2c1CCC2)C)CN	PC-id_84658034	181.235	JHNUGDIPGIRDKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009895
OCc1n(nc2c1CNC2)C(C)C	PC-id_105439522	181.235	XCAMXKAAGOBRHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009896
OC(c1n[nH]c2c1CCC2)C(N)C	PC-id_84658030	181.235	ATWFNFQXAPAPBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009897
OCC(c1c(C)nc2n1CCC2)N	EMOLS-id_313589935,PC-id_112545566	181.235	YIAWJKHCFLNORK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009898
OCC(c1nc2c([nH]1)CCC2C)N	PC-id_102970186	181.235	MULZJCMIHAYGPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009899
OCC(c1n(C)nc2c1CCC2)N	PC-id_84658035,EMOLS-id_313590184	181.235	OXIQQAITXQCWMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009900
OC(Cc1nn2CCN(c2c1)C)C	PC-id_83675638	181.235	YVXXPHZBTSURQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009901
OCCC(N)c1nn2c(CCC2)c1	PC-id_82654495	181.235	XGJISKYIWLCGOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009902
[O-]C(Cn1nc2c(c1)C[NH2+]C2)(C)C	PC-id_141398617	181.235	HFKSRDYLTATORI-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-009903
OCCNC1CC(n2c1ncc2)C	EMOLS-id_265397900	181.235	ZJOSFBINIBNVDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009904
OCC(NC1CCn2c1ncc2)C	EMOLS-id_265398396	181.235	RXBNHJLCXOTLIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009905
OCC(N)c1n2c(CCC2)c(n1)C	PC-id_82654509	181.235	DXPQSFCREPJGML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009906
OCC(N)c1nc(n2c1CCC2)C	PC-id_82601047	181.235	XTOROHIEBSFVRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009907
OCC(N)c1nn(c2c1CCC2)C	PC-id_84658027	181.235	YVTUOPJWCMNLNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009908
OCCNCc1n[nH]c2c1CCC2	EMOLS-id_260754924,PC-id_104374880	181.235	OQIZGHQJWLQTAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009909
O(NCc1cn2CCN(c2c1)C)C	PC-id_82654667	181.235	NGJALMFJIYGZAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009910
O(NCc1nc2n(CCC2)c1C)C	PC-id_82601082	181.235	HLIKITSGYMCVOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009911
O(NCc1nc(n2c1CCC2)C)C	PC-id_82601081	181.235	IBPRJUNFJNMFHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009912
Cc1nn2C(NNc2c1N)C(C)C	PC-id_136657272	181.238	JVASZGHCFMYKJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009913
CC(C)C(c1c2NCCn2nn1)N	PC-id_136313024	181.238	UDUYFEUGTOYVQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009914
CCCC(c1nn2CCNc2n1)N	PC-id_136313023	181.238	ZZCWZZMXHLCHOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009915
CNCCc1nn2c(n1)N(CC2)C	PC-id_97703944	181.238	JBWVIWXIRSJEOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009916
n12nc(nc1N(CC2)C)C(CN)C	PC-id_82601102	181.238	JNMXFTZZLPDGHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009917
N1(c2n(nnc2CCCN)CC1)C	PC-id_83875819	181.238	IBSLJQJKXGBLLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009918
N1(c2n(nnc2CCNC)CC1)C	PC-id_83875820	181.238	WAXQHBCFFJOYGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009919
N1(c2n(nnc2CC(N)C)CC1)C	PC-id_83875821	181.238	RBSWYLLGGNRYNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009920
N1(c2n(nnc2C(CN)C)CC1)C	PC-id_83875822	181.238	AMUVBFQCGSUFCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009921
N1(c2n(nnc2C(N)CC)CC1)C	PC-id_82408207	181.238	VRYNRGVXFGBKNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009922
NCCCc1nn2c(n1)N(CC2)C	PC-id_96745296	181.238	FEIUVDCYILVBDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009923
c1(C(=O)C)c2CCCc2sc1N	PC-id_65354676,MCULE-1419295111,EMOLS-id_41195689,ZINC22_75464101	181.255	BWVFRMWWDMKVNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009924
c1(C(=O)CN)cc2c(CCC2)s1	EMOLS-id_41065183,PC-id_65179739,MCULE-7724360660	181.255	XAOLNTMOOMUDBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009925
c1(C(=O)NC)csc2CCCc12	EMOLS-id_331062821,MCULE-2483872738	181.255	KHJZWZYTXRZZMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009926
Cc1c2CCC(=NO)c2c(s1)C	PC-id_88527352	181.255	MRFBVGZIEIAUTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009927
Cc1c(sc2c1C(=NO)CC2)C	PC-id_88527299	181.255	CLGHXOZQPJHNJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009928
CC(c1cc2c(s1)C(=O)NC2)C	PC-id_59191801,SCHEMBL12219894	181.255	KLVMNSQKHVFGNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009929
CC(c1sc2c(c1)C(=O)NC2)C	PC-id_59191741,SCHEMBL12219881	181.255	JSURFZRUDWXWDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009930
CC(=C1Sc2c(N1C)cco2)C	SCHEMBL13651971,PC-id_57900687	181.255	GCPWLJYMPJNMTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009931
CC(=C1Sc2c(N1C)coc2)C	PC-id_57900733,SCHEMBL13651967	181.255	ZNCZIDYCZSOPJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009932
CC(=C1Sc2c(N1C)occ2)C	PC-id_57900712,SCHEMBL13651972	181.255	DQNYNWXGRQCYPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009933
C=CCn1sc2c(c1=O)CCC2	SCHEMBL10550423,PC-id_20031486	181.255	QXDJZIRBLLRDFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009934
CC(=O)C1CCc2c1nc(s2)C	PC-id_57907549,SCHEMBL11964104	181.255	PEBDUWFNVVWTAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009935
CCON=C1CCc2c1scc2	EMOLS-id_114461622	181.255	JNOAGIVHXKRKBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009936
CN1CCc2c1csc2C(=O)C	PC-id_96628206	181.255	KUNRDYLLMJUNCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009937
CNc1c(c2c(s1)CCC2)C=O	SCHEMBL20353910,PC-id_135200329	181.255	BAALPDZJPNOQOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009938
CNC(=O)c1cc2c(s1)CCC2	ASN-28260756,ZINC22_32719955,EMOLS-id_37230026,CoCoCo_3867740,PC-id_39949998	181.255	SCDATVICTITIKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009939
O=C1C[C@@H](c2c1c(C)sc2C)N	CoCoCo_5762561	181.255	IKRQMQBYHLKGPC-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-009940
O=C1C[C@H](c2c1c(C)sc2C)N	CoCoCo_5762562	181.255	IKRQMQBYHLKGPC-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009941
O=C1Nc2c(C1(C)C)scc2C	EMOLS-id_97207228	181.255	JQLJSDWQDSECIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009942
O=Cc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42571239,PC-id_79863157	181.255	KZZGPHLOPPCSQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009943
O=CNCc1sc2c(c1)CCC2	PC-id_64992235,EMOLS-id_40910603	181.255	ZIMJKHKEQKZIFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009944
O/N=C/1CCc2c1c(C)c(s2)C	SCHEMBL9866219	181.255	CLGHXOZQPJHNJZ-JXMROGBWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009945
O/N=C/1CCc2c1c(C)sc2C	SCHEMBL9866882	181.255	MRFBVGZIEIAUTI-CSKARUKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009946
ON=C1CC(c2c1scc2)(C)C	PC-id_140368304	181.255	LVAHDXRVMCSGPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009947
s1c2C(C(C)C)C(=O)Nc2cc1	PC-id_13814933	181.255	NTJVEEFZBLITCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009948
s1c2C(CN(c2cc1)C=O)(C)C	PC-id_21300179	181.255	IEQGMKLWQAPTBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009949
s1c2CCN(c2cc1C(=O)C)C	PC-id_82408185	181.255	UAOMKCNSOPCFJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009950
s1c2C(C(=O)N(c2cc1)C)(C)C	PC-id_21300187	181.255	QYWKHZPWELJCBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009951
s1c2CN(CCC)C(=O)c2cc1	PC-id_58769820	181.255	SZQMGHKZHJETGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009952
s1c2C(N(C(=O)c2cc1)C)(C)C	PC-id_21300246	181.255	VUUCCVNBHRMUMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009953
S1c2n(CC1)c(cc2C(=O)C)C	PC-id_10535404	181.255	SCCINFHPQXILTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009954
s1c2N(CCc2cc1C)C(=O)C	PC-id_14172047	181.255	NMZRLPFTINACHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009955
s1c(c2CCCc2c1)C(=O)CN	PC-id_82408169	181.255	NNVIHZUPOAKUIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009956
s1c(c2CCC(N)c2c1)C(=O)C	PC-id_82408177	181.255	JTQDGNTXBFVIFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009957
s1cc2C(CN(c2c1)C=O)(C)C	PC-id_21300174	181.255	RWWWTUZZOFXDMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009958
s1cc2C(C(=O)N(c2c1)C)(C)C	PC-id_21300190	181.255	TUHSBOURUQRIBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009959
s1c(c2CN(Cc2c1)C)C(=O)C	PC-id_82408182	181.255	PMCOWGCTPPRBJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009960
s1c(c2C(N)CC(=O)c2c1C)C	PC-id_393511	181.255	IKRQMQBYHLKGPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009961
s1cc2C(N(C(=O)c2c1)C)(C)C	PC-id_21300250	181.255	FRUMPYAMXZQADC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009962
S=C(N)c1c2CCCc2oc1C	PC-id_83610130	181.255	LQCJWYPYMPRCHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009963
C1Cc2c(C1)sc(c2C(=N)N)N	PC-id_136084236	181.258	YWKJBTHVWNZKIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009964
CCSc1nn2c(c1)N=C(C2)C	PC-id_67341809,SCHEMBL2269423	181.258	LZPGQHWFSORDMP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-009965
CN1CCn2c1ncc2[N+](C)(C)C	PC-id_90888098	181.258	PJWBOTRYWJWBLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009966
n12c(nnc1CCC2)[C@@H]([NH3+])C(C)C	PC-id_51885141	181.258	DVVZQDQWNMAEIH-QMMMGPOBSA-O	00000010100000000001000010000000000000000000000000000000	25-01-009967
n12c(nnc1CCC2)[C@H]([NH3+])C(C)C	PC-id_51885143	181.258	DVVZQDQWNMAEIH-MRVPVSSYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-009968
n12c(nnc1CCC2)C([NH3+])C(C)C	PC-id_75739541	181.258	DVVZQDQWNMAEIH-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-009969
N1Cc2c(C1)cn(n2)SC1CC1	PC-id_144979032	181.258	STVSZZBEQPEJBX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-009970
N=C(N)Nc1cc2c(s1)CCC2	PC-id_145946500,CHEMBL4300284	181.258	VPDYOWAJRMPOEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009971
NC(=S)Cc1n[nH]c2CCCc12	MCULE-3052327697,EMOLS-id_313867103	181.258	WICMYEWBNDHBQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009972
NN=C(c1sc2c(n1)CCC2)C	EMOLS-id_114461766	181.258	OGEYMKKMESJMIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009973
s1c2CCCc2cc1C(=NN)N	PC-id_61362952	181.258	HAXVKJONDKDMGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009974
Cc1c(c2c(s1)CSC2)C#N	PC-id_91325657	181.278	MVZFBKCSTRYAEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009975
CC1Cc2c(C1CCN)ccs2	PC-id_112714754	181.298	HPKPHYXVWNVJCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009976
CC1Cc2c(C1CCN)csc2	PC-id_112714753	181.298	RGVZCOXEXFHJFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009977
CC1Cc2c(C1CNC)ccs2	PC-id_112714760	181.298	VUCRBQXYAZUVPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009978
CC1Cc2c(C1CNC)csc2	PC-id_112714759	181.298	QNSJXLNWLODJJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009979
CC1CC(c2c1c(N)cs2)(C)C	EMOLS-id_96374512,PC-id_106664697	181.298	OUNPEKPLPYCBGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009980
CC1CCc2c1nc(s2)C(C)C	PC-id_89729307,EMOLS-id_114463475,SCHEMBL15160560	181.298	BQAFHZCPONIANI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009981
CC1(CC(c2c1ncs2)(C)C)C	SCHEMBL13669513,PC-id_89143903	181.298	OFMMDAMUGMKJPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009982
CC1(CC(c2nscc12)(C)C)C	SCHEMBL13953037,PC-id_89207371	181.298	SNUAINMWHCZPJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009983
Cc1nc2c(s1)C(CC2C)(C)C	EMOLS-id_114463451	181.298	FZLGSARSLNTIKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009984
CCc1cc2c(s1)C(C(C2)C)N	PC-id_112714769	181.298	ODCPIAXMIWBXNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009985
CCc1cc2c(s1)CC(C2N)C	PC-id_112714771	181.298	WMYSMIRUHLXTEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009986
CCC1CCc2c1c(CN)cs2	PC-id_114748524,EMOLS-id_96535321	181.298	UHZFSYOQXZKJCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009987
CC(C1CCc2c1nc(s2)C)C	SCHEMBL12862695,PC-id_58125044	181.298	WXHFYSZYTVLCCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009988
CC(C1C(C)Cc2c1csc2)N	PC-id_112714756	181.298	QRKUGNBKJVCBSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009989
CC(C1C(C)Cc2c1scc2)N	PC-id_112714755	181.298	JRQYHNZOJQWLFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009990
CC(c1[nH]cc2c1CCS2)(C)C	PC-id_118945992,SCHEMBL17591344	181.298	MTSMJGUIOCTTEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009991
CCc1sc2c(n1)C(CC2)(C)C	EMOLS-id_114463402	181.298	WXKBAUDNRXOIHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009992
CCc1sc2c(n1)C(CC2)CC	EMOLS-id_114463463	181.298	WQAZDYSDLFQZAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009993
CC(c1sc2c(n1)CCC2)(C)C	PC-id_59734435,EMOLS-id_114463344,SCHEMBL6856484	181.298	BQIGNWITVWBCQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009994
CCCc1nc2c(s1)CCC2C	EMOLS-id_114463427	181.298	NUMKWWFUACAFRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009995
CCC(c1sc2c(c1)CCC2)N	PC-id_114979354,EMOLS-id_96306370	181.298	YZOKRXIUNGOQNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009996
CC(C)c1sc2CCCc2c1N	EMOLS-id_324735049	181.298	PWDXLCDFVGVQOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009997
CC(Cc1sc2c(n1)CCC2)C	SCHEMBL15293639,PC-id_89831163	181.298	MJKNPCHAOQLYEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-009998
CC(C)(N)c1cc2CCCc2s1	MCULE-2604902620,EMOLS-id_313811650,PC-id_82408078	181.298	JRVBSUJJYYAILP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-009999
CC(CN)c1cc2CCCc2s1	MCULE-4674453053,EMOLS-id_313811394,PC-id_82601192	181.298	LKPAHFHJXUSMFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010000
CCCNC1CCc2c1scc2	EMOLS-id_265410628	181.298	XNODTMMMAPYDAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010001
C[C@@H](N)Cc1cc2CCCc2s1	EMOLS-id_313840824,MCULE-1966589383	181.298	WCXXABWNKDCUQH-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010002
C[C@H](N)Cc1cc2CCCc2s1	MCULE-7547383113,EMOLS-id_313840312	181.298	WCXXABWNKDCUQH-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010003
CCN1Cc2c(C1)c(sc2C)C	PC-id_122375108	181.298	KPNDJZJQEPMJFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010004
CC(NC1CCc2c1ccs2)C	SCHEMBL10160444,PC-id_59461030	181.298	BCCYCYPQQLSVRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010005
CC(NC1CCc2c1scc2)C	PC-id_59461775,EMOLS-id_96495607,SCHEMBL10159872	181.298	VQLSMKUJVTZOTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010006
CCNCc1csc2c1CCC2	PC-id_121599854,EMOLS-id_194567643	181.298	VAPYZIIVSGVAOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010007
CCNCc1sc2c(c1)CCC2	PC-id_43163707,EMOLS-id_37550066	181.298	MXHOFBKSOLPYKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010008
CNC1C(C)Cc2c1cc(s2)C	PC-id_112714766	181.298	YNKAEVILABGBKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010009
CNC1C(C)Cc2c1sc(c2)C	PC-id_112714765	181.298	LIAMPMWJCDPUPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010010
CNCC1CCc2c1c(C)cs2	SCHEMBL12644798,PC-id_68335196	181.298	SFQWDWPFWSGOEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010011
CNCC1CCc2c1scc2C	PC-id_67257103,SCHEMBL2038237	181.298	UEZSTRCEDCIBSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010012
CNCC1C(C)Cc2c1scc2	PC-id_112714758	181.298	FDBJHMMTLDQYIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010013
CNCc1csc2c1C(C)CC2	PC-id_114748726,EMOLS-id_96535411	181.298	MGVBMLXVPXUBQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010014
CNC(c1sc2c(c1)CCC2)C	PC-id_115707722,EMOLS-id_96556511	181.298	WPEOORODOFLZGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010015
CNCCc1cc2CCCc2s1	EMOLS-id_313811138,MCULE-1950231028,PC-id_82601191	181.298	USPOGZYRGCBFEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010016
CNC[C@H]1CCc2c1c(C)cs2	PC-id_68335197,SCHEMBL12644799	181.298	SFQWDWPFWSGOEX-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010017
CNC[C@@H]1CCc2c1c(C)cs2	PC-id_68335207,SCHEMBL12644809	181.298	SFQWDWPFWSGOEX-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010018
CSCc1ccn2c1C(C)CC2	SCHEMBL16802424,PC-id_118146607	181.298	ULLXFGFSVOSYDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010019
NCC1C(C)Cc2c1cc(s2)C	PC-id_112714763	181.298	CXRCWNLGXJNBNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010020
NCc1csc2c1C(C)(C)CC2	PC-id_121599814,EMOLS-id_96535315	181.298	XGZZFLNTMLJLLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010021
NCCC1C(C)Cc2c1scc2	PC-id_112714752	181.298	PQBVRSIZKNAMQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010022
NCCCc1cc2CCCc2s1	EMOLS-id_313477610,MCULE-8733950280,PC-id_82408077	181.298	ADWFGCWLGGYQDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010023
s1c2C(CCc2cc1C)CCN	PC-id_83906559	181.298	MMJZVCTWODULBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010024
s1c2C(CCc2cc1CC)CN	PC-id_83906567	181.298	AJCSCVTZZYFDSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010025
s1c2c(CCC2)cc1CC(N)C	PC-id_71670946	181.298	WCXXABWNKDCUQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010026
s1c2c(CCC2)c(c1CCN)C	PC-id_82408076	181.298	YFBZUSLMJFGTGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010027
s1c2C(CCc2cc1C)C(N)C	PC-id_83906562	181.298	QHEZYORLLFFJPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010028
s1c2C(CCc2cc1C)CNC	PC-id_83906564	181.298	BYXNFYLVVLKPSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010029
s1c2c(CCC2)c(c1CNC)C	PC-id_82601189	181.298	QFUYNMYOWVCFHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010030
s1c2c(CCC2)c(c1C(N)C)C	PC-id_82601190	181.298	JOXBTCGSESMXRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010031
s1c2c(CCC2)c(CC(N)C)c1	PC-id_71670938	181.298	WZTBAULUXIQRIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010032
s1c2c(C(CC2)CCN)cc1C	PC-id_83906560	181.298	HNKAZJABHBZMDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010033
s1c2c(C(CC2)CN)cc1CC	PC-id_83906566	181.298	CXPOWUMVWCGBDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010034
s1c2c(C(CC2)C(N)C)cc1C	PC-id_83906563	181.298	XSGJVEWENAFVAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010035
s1c2c(C(CC2)CNC)cc1C	PC-id_83906565	181.298	IFJPXASAKZJOSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010036
s1c2c(C(CC2)C(N)CC)cc1	PC-id_82408064	181.298	OTCKUPORHWSGTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010037
s1c2C(C(Cc2nc1C)C)CC	PC-id_57741224	181.298	GAXUQKYWWNZEJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010038
s1c2CC(C)C(C(N)C)c2cc1	PC-id_112714757,MCULE-1979786839	181.298	MOMMUBVRYDEIEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010039
s1c2c(C(C(CN)C)CC2)cc1	PC-id_83906557	181.298	HHYNDGIITFWFSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010040
s1c2C(C(CN)C)CCc2cc1	PC-id_83906555	181.298	NAVCQFWGUWLTHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010041
s1c2c(C(N)CC2)cc1C(C)C	PC-id_83906575	181.298	VROAETGZUNGREK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010042
s1c2c(C(N)CC2)c(C(C)C)c1	PC-id_82378122	181.298	VLBBCWHOKSIPCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010043
s1c2c(C(NC)CC2)cc1CC	PC-id_83906571	181.298	DAODIAIGSMACKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010044
s1c2c(C(NC)(CC2)C)cc1C	PC-id_82601183	181.298	JASXYXHQRSBJBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010045
s1c2C(CN)C(C)Cc2cc1C	PC-id_112714762,MCULE-3319392310	181.298	WPJRXGGKOKTHHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010046
s1c2C(N)CCc2cc1C(C)C	PC-id_83906573	181.298	GHDBXVGUKNSPSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010047
s1c2C(NC)CCc2cc1CC	PC-id_83906569	181.298	YGNJROCPLKDLFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010048
s1cc2C(C(CN)C)CCc2c1	PC-id_83906556	181.298	BSQKPEANEFWGMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010049
ClC(=O)C1=Cc2n(C1=O)ccc2	MCULE-2669237915,PC-id_12637711	181.576	STBJKYDCCJTCLB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010050
ClC(=O)C1=Cn2c(C1=O)ccc2	PC-id_12863016	181.576	ODWJMLWUJRBIBW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010051
Clc1n2CCCc2nc1CC#N	PC-id_84768645	181.622	MFVUEYZQKMDSIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010052
Clc1nc2n(CCC2)c1CC#N	PC-id_84768644	181.622	APHAPOBOTXUMCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010053
C1C2=C(NC1=O)SC(=C2)C(=O)[O-]	PC-id_153775826	181.992	CKZUGZNDEKRXFQ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-010054
Cc1c(n2CC(Cc2c1)F)C(=O)[O-]	PC-id_163674328	182.062	JFHRLKJIRKRXGQ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-010055
CCOC1=NN2C(C(=O)NC2=C1)N	PC-id_153802420	182.08	VIIDJVJFFZXNHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010056
o1nc(c2c1C(=O)NC2=O)C(=O)O	PC-id_83482554	182.09	WSVBYQBEMYYHHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010057
CC(C)n1c(=O)n2CCN(c2n1)C	PC-id_164060772	182.117	WGRRHMBGQUSDKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010058
CNCC(C1=NC=C2N1CCN2)O	PC-id_165343366	182.117	WGQWYWDPJKRSAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010059
CC(C)(C)C1=C2C(CCN2N=C1)F	PC-id_154617908	182.122	OASRIKCDAQKONC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010060
CC(C)(C)C1=NN2CCC(C2=C1)F	PC-id_154617829	182.122	RNYISWFBEHRONS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010061
o1nc(c2c1CNC2=O)CC(=O)O	PC-id_82654728	182.134	HJQUNSAYGWDXHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010062
c12ncnn1C(C(=O)N2)CC(=O)O	PC-id_135574951,EMOLS-id_31235623,MCULE-8855433959	182.137	YFAQQKWUIGRUNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010063
COCn1c2=NC(=O)N=c2[nH]c1=O	SCHEMBL3285819,PC-id_136332554	182.137	LNSMIABZBUNJGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010064
COC(=O)c1c2NC(=O)Cn2nn1	PC-id_136743936	182.137	LSTHUOZZUYNIAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010065
O=C1n2nnnc2C(C1)CC(=O)O	PC-id_82647660	182.137	PUORZZFSMYJENC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010066
O=C1Nc2n(C1)c(nc2[N+](=O)[O-])C	PC-id_21819667	182.137	SJYUQDVFZFKDBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010067
O=C(O)C[C@@H]1C(=O)Nc2ncnn12	ZINC22_13638960,PC-id_135896261	182.137	YFAQQKWUIGRUNF-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010068
O=C(O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_13638963,PC-id_135896262	182.137	YFAQQKWUIGRUNF-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-010069
n12N=NC(c1c(c(c2)C#N)C#N)C#N	PC-id_77742765	182.142	RSJYOIHIQBZDEU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010070
OC(=O)C(=C1CCn2c1ncc2)F	EMOLS-id_303185359	182.152	VNTVMRUKXYQAGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010071
CC1Cc2c(C1(O)C(=O)O)cco2	PC-id_112714777	182.173	UIACXABXGVSMBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010072
CC1Cc2c(C1(O)C(=O)O)coc2	PC-id_112714776	182.173	FSLISMYLCKWAFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010073
CC1Cc2c(C1(O)C(=O)O)occ2	PC-id_112714775	182.173	QOWZYBRAHOGKCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010074
o1c2c(c(c1C)CC(=O)O)COC2	PC-id_84768659	182.173	GFUDKYMGASHEMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010075
o1c2c(CCC2)cc1C(O)C(=O)O	PC-id_82408027	182.173	XZOIRDTYWFAAPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010076
o1c2CC(C(O)c2cc1)CC(=O)O	PC-id_82408023	182.173	PRZPYQQNHBWSNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010077
o1c2c(C(O)(CC2)C(=O)O)cc1C	PC-id_82408024	182.173	JLYQPOPSRPKGOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010078
o1c2C(O)(CCc2cc1C)C(=O)O	PC-id_83906642	182.173	OCPCXQLHUDJADE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010079
OC1(CCc2c1coc2)CC(=O)O	PC-id_83906639	182.173	RBFAHOKRTIKJQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010080
OC1(CCc2c1occ2)CC(=O)O	PC-id_83906638	182.173	FHDSVFTXWAWTCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010081
OC1(CCc2occc12)CC(=O)O	PC-id_83906640	182.173	VEJFGRHKBOVGFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010082
O(C1(CCc2occc12)C(=O)O)C	PC-id_83828464	182.173	BVKRVQLAVCTMBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010083
C1c2c(C(=O)OCC)n[nH]c2OC1	ZINC22_83428784,MCULE-6225763344,PC-id_71433261,EMOLS-id_44404415	182.177	YBPHYPLZNJIBHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010084
c1(CC(=O)O)c(C)nn2CCOc12	EMOLS-id_54823365,ZINC22_221310251,PC-id_84732430,MCULE-1459476321	182.177	HYFUGSHXIYRYDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010085
c1(C(=O)OC)c2COCc2nn1C	EMOLS-id_317873398,SCHEMBL15730251,PC-id_90167701,MCULE-5582798398	182.177	YORIABXQEAWAPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010086
c1(C(=O)O)c(CC)nn2CCOc12	ZINC22_225809421,EMOLS-id_54824110,MCULE-4438218490,PC-id_119053818	182.177	QDFCXACFBWNXMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010087
C1n2c(OC1)cc(C(=O)OCC)n2	PC-id_69588863,SCHEMBL5848830,EMOLS-id_42796298,MCULE-8511483857,ZINC22_45930115,TIMTEC161542	182.177	FZWVFMXBFCGKDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010088
C1(O)(C(=O)O)c2cn[nH]c2CC1C	MCULE-6274494375,PC-id_112714778	182.177	PJEXGKPSURBJPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010089
Cc1c2CC(Nc2no1)C(=O)OC	PC-id_137214000	182.177	GCHPRIGFSFFZIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010090
CC1(c2[nH]nc(C(=O)O)c2CO1)C	EMOLS-id_96264348,MCULE-1552864780	182.177	XBMYGSKRORVPNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010091
CC1Cc2c(C1(N)C(=O)O)cno2	PC-id_112714779	182.177	DANLHZHZXOLGSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010092
CC1(C)COc2c(cnn12)C(=O)O	MCULE-9939176741,EMOLS-id_337426908,ZINC22_2088617674	182.177	PHKZBNMEWGJGFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010093
Cc1nc2n(c1CC(=O)O)CCO2	PC-id_96749814	182.177	DKAOAXXWKYLWPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010094
CC(c1c2OCOc2c[nH]1)C(=O)N	SCHEMBL2350582,PC-id_67374171	182.177	OHESIRNKLOJCJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010095
CC(c1cn2c(n1)OCC2)C(=O)O	PC-id_112489194	182.177	XKTMHHCNMSFSIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010096
CCC1Cn2c(O1)cc(n2)C(=O)O	SCHEMBL3553152,PC-id_21941397	182.177	ADIIYWCNGCOKLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010097
CCc1c(nn2c1OCC2)C(=O)O	PC-id_105439877	182.177	LBSYPKOVAJNNSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010098
CCC1COc2n1nc(c2)C(=O)O	PC-id_68687659,SCHEMBL3553154	182.177	WTBJLQMVUHMHET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010099
CCC1OCc2c1n[nH]c2C(=O)O	PC-id_44441321,BindingDB_PC-id_44441321,CHEMBL247723	182.177	JTLWYBQEZATWDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010100
CCCn1nc(c2c1OCO2)C=O	PC-id_96628090	182.177	MOKGASTXHMDWFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010101
CCN1CCc2c1onc2C(=O)O	PC-id_96628099	182.177	WTFOQULSQYMNGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010102
CCn1nc2c(c1C(=O)O)COC2	PC-id_105439884	182.177	OSGOFTJIMHWPQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010103
CCn1nc(c2c1COC2)C(=O)O	SCHEMBL17066963,PC-id_105439883	182.177	ZZYNUKPXTRUUCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010104
CCOC(=O)c1c2CCNc2no1	PC-id_137216046	182.177	WWFMUAFOUISMNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010105
CCOC(=O)c1c2c(n[nH]1)CCO2	PC-id_135456812	182.177	IHOPYIXAACXNTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010106
CCOC(=O)c1cnn2CCOc12	SCHEMBL18421502,MCULE-6821100332,EMOLS-id_97672985,PC-id_122714703	182.177	CJFMIYYZACKKDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010107
CCOC(=O)c1nc2CNCc2o1	PC-id_121229795,MCULE-5959391020,EMOLS-id_50368718	182.177	AKIRFRIMCOPEQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010108
CCOC(=O)c1n[nH]c2c1COC2	PC-id_141444884	182.177	SUODZLRWAUDUKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010109
CCOC(=O)c1noc2c1CCN2	PC-id_137212110	182.177	SNSABFNHXGNSBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010110
Cn1c2c(COC2)c(n1)C(=O)OC	SCHEMBL15730385,PC-id_90167827	182.177	QQLKVXKWMXHKHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010111
Cn1nc2c(c1CC(=O)O)COC2	PC-id_112711092	182.177	QHHGNTJAZVAJKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010112
CN(c1c2OCOc2c[nH]1)C(=O)C	SCHEMBL2350584,PC-id_67374173	182.177	LLSUSLMNAOJWIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010113
COC(=O)c1c(n2CCCc2n1)O	PC-id_137234156	182.177	ATJRMMVQLSSIIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010114
OC1(CCc2[nH]ncc12)CC(=O)O	PC-id_83906643	182.177	ZJPGESYMYBTPBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010140
COC(=O)c1cnc2C(O)CCn12	PC-id_154575154,EMOLS-id_317662397	182.177	CHTWTOWXPIKBET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010115
NC(c1ccc2n1CCO2)C(=O)O	PC-id_112489191	182.177	OBTHRAVQGQXVQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010116
o1c2C(CCc2nc1N)CC(=O)O	PC-id_83875964	182.177	QWXKXGRRADNWEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010117
o1c2CCC(c2nc1N)CC(=O)O	PC-id_83875966	182.177	RAUFPQMXRSEBSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010118
o1c2c(nc1CCC(=O)O)CNC2	PC-id_83949329	182.177	CQQUBEQJZDTMMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010119
o1c2C(N(Cc2nc1C)C)C(=O)O	PC-id_82407968	182.177	UKOFOTBBVKVHPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010120
o1c2C(NCc2nc1CC)C(=O)O	PC-id_82407969	182.177	CTZZQVPAXUXOOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010121
O1c2n(CC1)c(c(n2)CC(=O)O)C	PC-id_82408009	182.177	HLCZJAGDYFJSPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010122
O1c2n(CCC(=O)O)cnc2CC1	PC-id_82407997	182.177	MWYFEBHAMQLZNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010123
O1c2n([C@@H](C)C(=O)O)cnc2CC1	PC-id_82407995	182.177	GMWSSEDTBGBKIT-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010124
O1c2n(nc(CCC(=O)O)c2)CC1	PC-id_82601248	182.177	RDCLXJJGOLBODE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010125
O1Cc2c(n(nc2CC(=O)O)C)C1	PC-id_83862235	182.177	RSTDDRFXCXMBQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010126
O1Cc2n([C@@H](C)C(=O)O)cnc2C1	PC-id_82407996	182.177	VNZMNEBFOUBYEB-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010127
O1CC(n2nc(cc12)CC)C(=O)O	PC-id_84732431	182.177	UWMUQDORDBCHJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010128
o1nc2c(CN(C2)C)c1CC(=O)O	PC-id_83862416	182.177	ZKMBTYZMGWNEHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010129
o1nc2C(N(Cc2c1C)C)C(=O)O	PC-id_82408017	182.177	QWLTZYFQFCIYIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010130
o1nc(c2CN(Cc12)C)CC(=O)O	PC-id_83862156	182.177	KRDGEUZWKCJYBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010131
o1nc(c2CN(Cc12)CC)C(=O)O	PC-id_83915036	182.177	CMBZMQYCVOVAOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010132
o1nc(c2CNCc12)C(=O)OCC	PC-id_83875961	182.177	BIXGSAJJEGWJPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010133
o1nc(c2C(N)CCc12)C(=O)OC	PC-id_82601266	182.177	YPZRIJNFUVWDGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010134
o1ncc2C(N)(CCc12)C(=O)OC	PC-id_83906648	182.177	VPZCKFBVMBVILE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010135
o1nc(c2C(N)(CCc12)C(=O)O)C	PC-id_83906651	182.177	PPHBPSXMBBDRRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010136
Oc1c2n(CCC2)c(N)c1C(=O)O	PC-id_84039124	182.177	LYENNXGWKJGERQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010137
OC1CCc2c1c(C(=O)O)n(n2)C	PC-id_112711204	182.177	MUUOOMKAQBHHJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010138
OC1CCc2[nH]nc(c12)CC(=O)O	PC-id_83863536	182.177	BHMYTBUZIJSQKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010139
OC1(CCc2nn(cc12)C)C(=O)O	PC-id_83906646	182.177	BQDPWXMXZSFTHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010141
OC1(CCc2n(ncc12)C)C(=O)O	PC-id_83906647	182.177	YNIKNICJCLGJNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010142
OC1CCc2n(nc(c12)C(=O)O)C	PC-id_83863529	182.177	YKELXRMINYMLAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010143
OC1(CCc2n[nH]c(c12)C)C(=O)O	PC-id_83906644	182.177	PGPXMQRICIAYRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010144
OC1CCn2c1c(C)c(c2)[N+](=O)[O-]	PC-id_101224439	182.177	UMXIIBFUUMRHHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010145
O=c1[nH]n(c2C(CCc12)C(=O)O)C	PC-id_82601246	182.177	GIKGTLFCPQUFAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010146
O=c1[nH][nH]c2c1C(CC2)CC(=O)O	PC-id_82407991	182.177	HKVHAALRTAVCCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010147
O=c1[nH][nH]c2CC(Cc12)CC(=O)O	PC-id_82407990	182.177	KKHAETUYHNVZRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010148
O=c1[nH][nH]c2C(CCc12)CC(=O)O	PC-id_82407992	182.177	FDPIQGSTUUCGNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010149
O=c1n([nH]c2c1CCC2)CC(=O)O	PC-id_66023379	182.177	IIUOKERCHOJISV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010150
O=c1n([nH]c2c1C(CC2)C(=O)O)C	PC-id_82408002	182.177	GSFRWWDSUSLKLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010151
O=c1n([nH]c2CC(Cc12)C(=O)O)C	PC-id_82408001	182.177	NFOGWHUWQPRAIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010152
O=c1n([nH]c2C(CCc12)C(=O)O)C	PC-id_82601245	182.177	CXOXPBVUTULOIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010153
O(c1n[nH]c2C(CCc12)C(=O)O)C	PC-id_83668783	182.177	WSHSCPYULARYRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010154
OC(c1n2CCCc2nc1)C(=O)O	EMOLS-id_313758350,PC-id_82408007	182.177	UXFHQGXJXHIYIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010155
OCC(=O)c1cc(c2n1CCO2)N	PC-id_97703982	182.177	HHDRRCRUJXTQIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010156
OC(C(=O)O)c1n[nH]c2CCCc12	MCULE-7089975961,EMOLS-id_313890131	182.177	SRQUFNCJTCSMEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010157
OC(=O)C1CC(c2c1c(N)on2)C	PC-id_112716731	182.177	LYYAYMGONTYFED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010158
OC(=O)c1cnn2c1OC(C2)(C)C	EMOLS-id_324018051	182.177	QTFHHBYCAZKOQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010159
OC(=O)Cc1cc(c2n1CCO2)N	PC-id_96628069	182.177	HJLYTYIUYXNVBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010160
OC(=O)CCc1cn2c(n1)OCC2	PC-id_96628100	182.177	SGOUIZNXBPAFOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010161
OC(=O)CCc1ncc2n1CCO2	PC-id_96628089	182.177	KZQWGXYLDMTSJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010162
OC(=O)Cn1nc2c(c1O)CCC2	EMOLS-id_41629688	182.177	PKZTUVFFSWMZLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010163
OC(=O)CNc1oc2c(n1)CCC2	PC-id_112709504	182.177	POXYANHHSORILV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010164
OC(=O)C(N)c1nn2CCCc2n1	PC-id_82601269	182.18	LMFGMALQIZGUFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010189
OC(=O)COc1n[nH]c2CCCc12	EMOLS-id_313870672,MCULE-8444089502	182.177	SRXRDBCRDKFDIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010165
c12c(N)cnn1CCN2CC(=O)O	MCULE-5855284204,EMOLS-id_323993233	182.18	QAFQGUJDUGAYIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010166
C1C(c2c(N1)ncn2CC(=O)N)O	PC-id_89901173,SCHEMBL15384277	182.18	YGRVIRBGDVNXRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010167
C1Cn2c(nc(n2)CCC(=O)O)N1	PC-id_136315217	182.18	QNMVCHNOWUBQEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010168
c1(C(N)C(=O)O)nnc2CCCn12	EMOLS-id_42819622,MCULE-1737935631,PC-id_82654785	182.18	ACNVHDSLURCKIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010169
CCC1NNc2cc(nn12)C(=O)O	PC-id_136489304	182.18	XFXBZSOJTWQRQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010170
CC(CN1Cc2c(C1=O)non2)N	PC-id_112489188	182.18	GJPWKPAWTPBTQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010171
CCOc1nn2c(c1N)N=C(C2)O	PC-id_136485570,SCHEMBL6282909	182.18	XKTXKAVYKQWDHN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010172
CCOC(=O)c1c2NCCn2nn1	PC-id_137234157	182.18	KHDACKQEOXSKEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010173
CCOC(=O)c1nn2CCNc2n1	PC-id_137234158	182.18	IDPMWJHGKBFHMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010174
COC(=O)Cc1nn2CCNc2n1	PC-id_137234170	182.18	BAKLYDGHQRWLAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010175
NC(c1ncc2n1CCN2)C(=O)O	PC-id_112489181	182.18	OZXUSGQXQXNOHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010176
NCc1nnc2CC(Cn12)C(=O)O	MCULE-8601879961,EMOLS-id_317676983,PC-id_139014744	182.18	UFLQFKAOWZIMMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010177
NCc1nnc2n1C[C@@H](C(=O)O)C2	ZINC22_1775954893	182.18	UFLQFKAOWZIMMF-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010178
NCc1nnc2n1C[C@H](C(=O)O)C2	ZINC22_1775954894	182.18	UFLQFKAOWZIMMF-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010179
NCCCN1Cc2c(C1=O)non2	PC-id_96628066	182.18	WZYZOOBSKGIHTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010180
NCC(N1Cc2c(C1=O)non2)C	PC-id_112489187	182.18	KMZGDGZPFZLLBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010181
N[C@H](C(=O)O)c1nnc2n1CCC2	PC-id_95732356,ZINC22_72206965	182.18	ACNVHDSLURCKIQ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010182
N[C@@H](C(=O)O)c1nnc2n1CCC2	ZINC22_72206966,PC-id_95732357	182.18	ACNVHDSLURCKIQ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010183
O=c1n(N)c2c([nH]1)CN(C2)C(=O)C	PC-id_82407925	182.18	CJBLFUVTQSLPJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010184
OC(=O)Cc1nn2CCN(c2n1)C	PC-id_82407924	182.18	OJMHMDKEHQZVIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010185
OC(=O)Cc1nnn2CCN(c12)C	PC-id_83876004	182.18	RNIROEJSPGBUJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010186
OC(=O)Cn1nnc2c1CN(C2)C	PC-id_82407928	182.18	WUYQEVCZENGASE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010187
OC(=O)Cn1nnc2N(CCc12)C	PC-id_82407927	182.18	LNYZSMOVSVGRKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010188
O(C(=O)N1Cc2c([nH]nc2N)C1)C	PC-id_83846722	182.18	PBUJVRSFQKICBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010190
ON1Cc2c(C1)nc(n2C)C(=O)N	PC-id_118613904,SCHEMBL17380163	182.18	WRKFONHPWWDSRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010191
CN1CCn2c1c(nn2)/C(=NO)/N	PC-id_136312277	182.183	GFTNVZKFLVRFBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010192
OCCC1N=Nc2n1nc(c2N)N	PC-id_145844617	182.183	ZTZFPOXEFSARDM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010193
c1(C=O)c2CCCc2nn1CCF	MCULE-5030995134,EMOLS-id_324390237	182.195	IERZIZBLHKGIAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010194
CC(=O)c1n[nH]c2c1C(C)(F)CC2	PC-id_105439975	182.195	GUCMDFXOKSXRBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010195
FC1CCc2c1c(nn2C)C(=O)C	PC-id_105439974	182.195	ZVDZMOLKPSAIRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010196
O=Cc1nn(c2c1C(C)(F)CC2)C	PC-id_105439973	182.195	FCZCGPMRZMXJET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010197
O=Cc1nn(c2c1C(F)CC2)CC	PC-id_105439972	182.195	RQNGPBSVOFRYII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010198
c12CCC(=O)c1cc(C(=O)O)s2	SCHEMBL9985813,PC-id_58540092,EMOLS-id_324073953,MCULE-6054934358	182.196	KVBZMGGOMWCGQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010199
c12C(=O)C(O)Cc1sc(C=O)c2	PC-id_82601290,MCULE-4926106741	182.196	GJPIDHBMMSLSJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010200
Cc1c2c(C(=O)OC2=O)c(C)s1	MCULE-6026018553,PC-id_89275987,SCHEMBL14217298,EMOLS-id_276806750	182.196	OTWYREGVOYREQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010201
OC(=O)c1csc2c1CCC2=O	SCHEMBL14502268,PC-id_58862032	182.196	AWXPIBCOCARACX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010202
s1c2c(CCC2=O)cc1C(=O)O	PC-id_82601289	182.196	VYGGUYUIJBNDPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010203
s1c2c(C(CC2=O)C(=O)O)cc1	PC-id_82647646	182.196	BOASRWFTYOIAJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010204
s1c2C(CC(=O)c2cc1)C(=O)O	PC-id_11521185	182.196	ABRXSGSNXBFEGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010205
s1c(c2CCC(=O)c2c1)C(=O)O	PC-id_82407907	182.196	MOHJFDMBUXSGCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010206
Cc1nc2c(s1)N=C(C2)C(=O)O	PC-id_142758602	182.2	LALHURMPVBOZSP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010207
O=C1Cc2c(N1)sc(c2)C(=O)N	PC-id_18626983,SCHEMBL6626413	182.2	BBNKOAZCFVTLCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010208
s1c2c(nc1C)C(=O)N(C2=O)C	PC-id_85635015	182.2	NBRQIWGNNRMYDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010209
s1nnc2CC(=C(c12)C)C(=O)O	PC-id_16639667	182.2	FUUGXULDHBBYJI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010210
c1(CO)c(COC)oc2CCCc12	PC-id_83610047,MCULE-7058796793	182.216	YLYWAGHJDHDATN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010211
CC1(C)CC(c2c1oc(=O)o2)(C)C	PC-id_68354941,SCHEMBL12691898	182.216	VFXOUBIQBVNCOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010212
CC1Cc2c(C1(O)CCN)cno2	PC-id_112714783	182.22	PAKGAAUBPGYZSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010213
CC(C)(C)n1nc2COCc2c1O	EMOLS-id_324403027,MCULE-1462938751	182.22	ZTJRRPWEOJIKEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010214
CC(Cn1nc2c(c1O)CCC2)O	EMOLS-id_114466822	182.22	NEXHKMCTJHHMNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010215
CC(Cn1[nH]c2c(c1=O)COC2)C	PC-id_105440027	182.22	QMMIAGFAQUNHLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010216
CC(Cn1[nH]c(=O)c2c1COC2)C	PC-id_105440022	182.22	JEYPEDQONBEURI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010217
CC(n1[nH]c(=O)c2c1COC2)(C)C	PC-id_105440021	182.22	FHZQOOSIQKIQSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010218
Cn1c2c(cn1)[C@@H](C[C@@H]2CO)CO	PC-id_134973456	182.22	HZAWFCSAPWSVIN-NKWVEPMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010219
CNCc1noc2c1COC2(C)C	EMOLS-id_96420694	182.22	TVCYNUPXPYAHOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010220
COC(c1n[nH]c2c1CCC2)OC	PC-id_69309728,SCHEMBL5096717	182.22	PJOBOKLIXLJZEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010221
NCC1(O)C(C)Cc2c1c(C)no2	PC-id_112714782	182.22	YTWDVYMQCAJRFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010222
o1c2CCCc2nc1C(O)CCN	PC-id_84732452	182.22	SSMCFACLCOAASA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010223
O1c2n(c(CC(O)C)c(n2)C)CC1	PC-id_83675318	182.22	UVQNVRXGOANSSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010224
O1c2n(c(c(n2)CC(O)C)C)CC1	PC-id_83675146	182.22	KVMYOLOYWKCQQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010225
o1[nH]c2C(N(Cc2c1=O)C)C(C)C	PC-id_83846749	182.22	YQHCFBOCLKOYQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010226
o1[nH]c2CN(C(c2c1=O)C)C(C)C	PC-id_83846751	182.22	RHVQVZMJRGVSLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010227
o1[nH]c2C(N(C(c2c1=O)C)C)(C)C	PC-id_83846752	182.22	VTJCNWDSTSAYJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010228
o1[nH]c2C(N(Cc2c1=O)C(C)C)C	PC-id_83846753	182.22	RLKPWFNBFKPSQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010229
O=c1c2COCc2[nH]n1C(C)(C)C	PC-id_105440026	182.22	SECCEYAVYBXMIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010230
OC1(CCc2onc(c12)C)CCN	PC-id_83906663	182.22	CSYRUMAKYMLMNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010231
OCc1c(C)nn2c1OC(C2)(C)C	EMOLS-id_324015492	182.22	CUNOPJKLDSYPKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010232
OCC1(N)C(C)Cc2c1c(C)no2	PC-id_112714786	182.22	XSTCLSHVSXAEIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010233
OCCCn1[nH]c2c(c1=O)CCC2	PC-id_105440028	182.22	LQUGPPFLQIWOFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010234
[O-][n+]1onc2c1CCC2C(C)(C)C	SCHEMBL18405782	182.22	DBAMPSDHTBLMDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010235
[O-][n+]1onc2c1C(CC2)C(C)(C)C	SCHEMBL18405783	182.22	JEHZORMNWCQJLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010236
s1c2c(CCC2)c(c1N)C(=O)[O-]	PC-id_7039057	182.22	GYWYRJBGPKHKCX-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-010237
CC1=Cc2c(C1)sc(c2C)P	PC-id_142073112	182.222	TUCFBNNCDVMPOP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010238
c1(C(CCO)N)nnc2CCCn12	PC-id_61228736,MCULE-1572868673,EMOLS-id_38146527	182.223	ODVAXZXCHMCNDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010239
CC1Cn2n(C1C)c(=O)c(c2N)N	SCHEMBL3854571,PC-id_68814790	182.223	BTMIERXVNJQQDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010240
CC(c1cn2CCNc2n1)N(C)O	PC-id_137238575	182.223	YXOHJEJVOFBJJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010241
CCc1n2C(N)CCn2c(=O)c1N	PC-id_67040050,SCHEMBL1453831	182.223	XYXPCCFCTYHGJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010242
CC(C(c1nnc2n1CCC2)N)O	EMOLS-id_37528461,PC-id_43142800	182.223	KDWDJFYOPUHRIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010243
CCNc1n2CCCn2c(=O)c1N	PC-id_23104167,SCHEMBL180654	182.223	DQYHSTOMLWENCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010244
CN(c1n2CCCn2c(=O)c1N)C	PC-id_23104173,SCHEMBL181172	182.223	HDRWOMQGEZIUHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010245
COC(c1nnc2n1CCC2)CN	EMOLS-id_265425105,PC-id_106109117	182.223	ORJRTAAFURUVQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010246
COCC(c1nnc2n1CCC2)N	PC-id_81078830,EMOLS-id_265425068	182.223	JRYLSPZEKMAVHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010247
Nc1n2CC(Cn2c(=O)c1N)(C)C	SCHEMBL945085,PC-id_23158431	182.223	ISYMXJZDFXMGGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010248
NCCC(c1nnc2n1CCC2)O	EMOLS-id_265424040	182.223	FLUZLXDNLVQLGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010249
NCC(Cc1nnc2n1CCC2)O	EMOLS-id_265424067	182.223	UYDSMQBHTASASI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010250
NCCCn1[nH]c2c(c1=O)CNC2	PC-id_105440129	182.223	PEKWKRHNMLAWSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010251
NCCOCc1nnc2n1CCC2	PC-id_79456955,EMOLS-id_42299965	182.223	XXOCREXBHPPZQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010252
O1c2n(c(c(n2)C(N)CN)C)CC1	PC-id_82407717	182.223	NPTCKUDYMQUROD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010253
O=c1n(c2c([nH]1)CN(C2)C)CCN	PC-id_82407738	182.223	AUYUZCSMJYGFCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010254
OC(c1n2CCCc2nn1)CNC	PC-id_82654877	182.223	NHBUIKSZBQRRFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010255
OCC(c1nnc2n1CCC2)(N)C	EMOLS-id_96247456	182.223	AUPKMJNJZWZOCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010256
OCCN1Cc2c(nn(c2N)C)C1	PC-id_83915049	182.223	UKXRJUKXHWZWBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010257
OCCN1Cc2n(nc(N)c2C1)C	PC-id_83915046	182.223	RXRMIOFYWWCECD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010258
OCCn1nc2c(c1N)CN(C2)C	PC-id_105440120	182.223	YYHGKAWNIASDMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010259
OCCn1nc(c2c1CN(C2)C)N	PC-id_105440121	182.223	XJMOLJHEWJLZRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010260
CC(C)C1NNc2c(c(nn12)N)N	PC-id_136652932	182.226	DGCJDUYDNHUBAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010261
CC1Cc2c(C1C(=O)O)ccs2	PC-id_112714789	182.239	AKEVOEJPBFOCCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010262
CC1Cc2c(C1C(=O)O)scc2	PC-id_112714787	182.239	IWOAYRVYNFERMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010263
s1c2c(c([C@@H](N)C)c1)C(=O)NC2	PC-id_82407689	182.243	ILGACNKAUWGFNM-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010313
CC1Cc2scc(C(=O)O)c2C1	EMOLS-id_56758696,MCULE-9911812373,PC-id_19622693	182.239	NIIQEOAKRRGKNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010264
Cc1sc2CCCc2c1C(=O)O	EMOLS-id_324736073	182.239	GANLOSFMPYLEHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010265
CCC(=C1Oc2c(O1)csc2)C	PC-id_141312364	182.239	KMWJFFGLFZHPRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010266
C[C@@H]1Cc2scc(C(=O)O)c2C1	ZINC22_20329065,PC-id_28856151	182.239	NIIQEOAKRRGKNS-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010267
C[C@H]1Cc2scc(C(=O)O)c2C1	ZINC22_20329070,PC-id_28856157	182.239	NIIQEOAKRRGKNS-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010268
COC(=O)C1Cc2c(C1)csc2	SCHEMBL7826380,PC-id_15814414	182.239	UHGXSWGGEQXOPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010269
s1c2CC(Cc2cc1)CC(=O)O	PC-id_82407709	182.239	NOOCNKBVKQMIEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010270
s1c2C(CCc2cc1)CC(=O)O	PC-id_83906665	182.239	GLMGHQKZHYGDGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010271
s1c2c(C(CC2)CC(=O)O)cc1	PC-id_83683938	182.239	XQIZUECPTZOTBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010272
s1c2CCCc2c(OC)c1C=O	PC-id_83668275	182.239	CLDOGXZSNQJTJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010273
s1c2c(C(CC2)C(=O)O)c(c1)C	PC-id_82378125	182.239	HXBINWGAAUOJII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010274
s1c2c(C(CC2)C(=O)O)cc1C	PC-id_83906668	182.239	WQYSOFSZWRMRTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010275
s1c(c2CCCc2c1)CC(=O)O	PC-id_82601394	182.239	XYQZEUHMLLEMFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010276
s1cc2C(CCc2c1)CC(=O)O	PC-id_83906666	182.239	FHWXYCZZPQPJMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010277
c1(C=O)c2CCCc2sc1OC	MCULE-6544730870,EMOLS-id_331059750	182.24	VIUGEAFJLWEXEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010278
c1(C(=O)OC)cc2c(CCC2)s1	EMOLS-id_45490951,MCULE-7643883556,ZINC22_4088352,SCHEMBL15407033,PC-id_5061470,SPECS-id_AI-942/13331188,TIMTEC306384,CoCoCo_6798893	182.24	MFMSWHJIFIRYNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010279
CC1Cc2c(C1C(=O)O)csc2	PC-id_112714788	182.24	ZHDXANJNFCBSNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010280
Cc1cc2c(s1)C(CC2)C(=O)O	SCHEMBL10745249,PC-id_13588807	182.24	DGAAKQOVJUYCGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010281
CC1CCc2c1c(cs2)C(=O)O	EMOLS-id_96582955,PC-id_83235098	182.24	JJSKPQCYUDVRHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010282
COC(=O)c1csc2c1CCC2	SCHEMBL18430429,PC-id_10821297,EMOLS-id_107602507	182.24	SRSMPJLBFXYVGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010283
COC(=O)c1scc2c1CCC2	PC-id_141443917	182.24	KKLRLJSKPJOULV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010284
OC(=O)Cc1cc2CCCc2s1	PC-id_82601396,MCULE-3254327258,EMOLS-id_313813443	182.24	CGFGVZIGDJTAFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010285
s1c2c(CCC2)c(c1C(=O)O)C	PC-id_82407700	182.24	QVOAAMISDUZVFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010286
s1c2CCCc2c(O)c1C(=O)C	PC-id_15030537	182.24	OOHJXHZZGSXEDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010287
c12CN(Cc1sc(C(=O)N)c2)C	EMOLS-id_330872133,MCULE-3662825296	182.243	SQLLRTNPEYWZKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010288
c12CN(Cc1sc(N)c2C=O)C	EMOLS-id_331067175,MCULE-5721215778	182.243	TXNZJLAVIWVPFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010289
c12CSCc1nn(CC)c2C=O	EMOLS-id_324395100,PC-id_105440184,MCULE-5879719020	182.243	HHFPKCJBUCGABR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010290
c1(C(=O)N)c2CCCc2sc1N	BindingDB-id_84067,SCHEMBL3397070,CHEMBL1334647,EMOLS-id_815647,TIMTEC99825,SPECS-id_AM-879/PD00832,ChEMBL-DNDi_CHEMBL1334647,PD115739,PC-id_596881,ZINC22_117721,SPECS-id_AN-153/I148252,CoCoCo_333638,CK1299812,MCULE-1100860726,BindingDB_PC-id_596881,BAS-05267494	182.243	CIYGFKXNRTYHLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010291
c1(C(=O)NC)csc2CNCc12	MCULE-4597789215,EMOLS-id_331064619	182.243	BEKCPLYPJQKIQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010292
c1(C(=O)N)c(N)c2c(CCC2)s1	EMOLS-id_330867279,MCULE-3167561338	182.243	XWKDYOBOQWIGBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010293
c1(C(=O)N)csc2CN(C)Cc12	MCULE-1265205544,EMOLS-id_331066662	182.243	HLORBKBMLNWOBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010294
c1(NC(=O)C)sc2c(CCC2)n1	EMOLS-id_37269003,MCULE-9872698921,SCHEMBL13035816,PC-id_5115917	182.243	QJBSTMWUWRGPAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010295
Cc1sc2c(n1)C(NC2=O)(C)C	SCHEMBL19573630	182.243	LXAGQRRKUPDVGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010296
CC(=C1Sc2c(N1C)ocn2)C	SCHEMBL13651980,PC-id_57900649	182.243	MGQWZNGXPVPNPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010297
CC(N1Cc2c(C1=O)ncs2)C	PC-id_66601287,SCHEMBL120175	182.243	SXYMHEPLKXAKOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010298
CC(N1C(=O)Cc2c1ncs2)C	SCHEMBL12339192,PC-id_59460007	182.243	GNPZCXYKTMDIIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010299
CC(N1C(=O)Cc2c1scn2)C	SCHEMBL12339190,PC-id_59459947	182.243	URYMNNDDELORLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010300
CCn1nc(c2c1CSC2)C=O	PC-id_105440182	182.243	JNHYQPPKDOKENA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010301
CC(=O)C1CCc2c1nc(s2)N	SCHEMBL11964103,PC-id_57907384	182.243	UCGOPEQGIYYKAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010302
CC(=O)c1n(C)nc2c1CSC2	PC-id_105440170	182.243	SXEKBOWKSXNNEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010303
CC(=O)c1nn(c2c1CSC2)C	PC-id_105440167	182.243	DRARFIJCIJZCCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010304
CC(=O)S[C@@H]1Cn2c(C1)ncc2	PC-id_139745507	182.243	ZDCMADQNAZZXQJ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010305
CN(c1cc2c(s1)C(=O)NC2)C	PC-id_139307663,SCHEMBL21152471	182.243	KOCOMBBFBDHJJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010306
CON=Cc1sc2c(n1)CCC2	EMOLS-id_114468103	182.243	ARWBFOBIMQFAPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010307
NNC(=O)c1cc2CCCc2s1	CoCoCo_3701432,PC-id_2113914,EMOLS-id_2855117,MCULE-7870311519	182.243	PNALDFYPMMIOAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010308
O=CCc1[nH]c(=S)n2c1CCC2	PC-id_142603171	182.243	DKACFDPUSIAVBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010309
O=CNCc1sc2c(n1)CCC2	PC-id_22916755,SCHEMBL8059265	182.243	NFYHURCTGFQGTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010310
s1c2CCCc2nc1C(=O)CN	PC-id_84732471	182.243	KDQZAEBOEWRTJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010311
s1c2c(c(CCN)c1)C(=O)NC2	PC-id_82407690	182.243	SORWDDSQFFGMDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010312
s1c2C(N(Cc2nc1C=O)C)C	PC-id_82407680	182.243	FMTZPCRJMCIVRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010314
s1c2c(NC(=O)C2)nc1C(C)C	PC-id_83876139	182.243	LTGQLATZQOXXBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010315
S1c2n(CC1)c(c(n2)CC)C=O	PC-id_82407693	182.243	BWLKIYGFJNHXMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010316
S1c2n(CC1)c(c(n2)C)CC=O	PC-id_83876133	182.243	BKPGOSMZFQPHSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010317
S1c2n(CC1)c(c(n2)C)C(=O)C	PC-id_82601400	182.243	GWRORBAAHLPTRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010318
S1c2n(CC1)c(c(n2)CC=O)C	PC-id_83876134	182.243	YOPKHTDEZLDTJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010319
S1c2n(CC1)c(c(n2)C(=O)C)C	PC-id_83876135	182.243	WXUMWIDPTQQHKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010320
S1c2n(nc(c2)CC(=O)C)CC1	PC-id_82654894	182.243	KAVUSDJPHBSNLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010321
S1CCn2c1nc(c2)CC(=O)C	PC-id_82654893	182.243	ANZOMIBDJVGDLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010322
S1C(Cn2c1nc(c2C=O)C)C	PC-id_86155217	182.243	DEPUATANPBQWFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010323
S1CCn2c(CC(=O)C)cnc12	PC-id_82601401	182.243	LFDNUXMMMJNYHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010324
s1nc(NC(=O)C)c2CCCc12	PC-id_12323347	182.243	DLCFLOKNNQAIDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010325
C=CCNC1Nc2ccnn2S1	PC-id_137197465	182.246	IPPRZDNHQOSWSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010326
CCSc1nn2c(c1)N=NC2C	SCHEMBL2272578,PC-id_67342902	182.246	MZQRJHZLTCXHKF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010327
CCSc1nn2c(c1N)N=CC2	SCHEMBL6287261,PC-id_69732981	182.246	CYQPDTMBHRBYPY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010328
CNC(=S)N1Cc2c(C1)c[nH]n2	MCULE-1175755327,EMOLS-id_96760500	182.246	FDANIGUNPRTNIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010329
N=C(N)Nc1nc2c(s1)CCC2	PC-id_10375077,SCHEMBL13314772,CHEMBL4299787	182.246	UAIBRYGHVVYQBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010330
NC(=S)c1c(N)nc2n1CCC2	PC-id_101924797	182.246	YIGRAIFRPNTNDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010331
S1c2n(nc(c2)CC(=N)N)CC1	PC-id_83676832	182.246	CBRAXCAJSMQMDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010332
S1CCn2c1nc(c2)CC(=N)N	PC-id_83676834	182.246	BMUXEAFWSRPQEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010333
S1CCn2c(CC(=N)N)cnc12	PC-id_83676285	182.246	MIWKMPCNFRXHCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010334
S1CCn2c(c(nc12)C)C(=N)N	PC-id_83677435	182.246	VLZWBJQXEFDZJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010335
S1CCn2c(c(nc12)C(=N)N)C	PC-id_83876141	182.246	XFMKLEFRXLDOMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010336
c12CSCc1sc(C#N)c2N	EMOLS-id_330872130,MCULE-3400069940	182.266	VMZWKUNGTMHEOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010337
c1(C#N)c2CSCc2sc1N	MCULE-6958112021,EMOLS-id_331062058	182.266	QQOZKBHCNOLTKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010338
C1Sc2c(c(C#N)c(N)s2)C1	MCULE-9938536114,PC-id_53275065	182.266	DVDOQFNRNYTPBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010339
N#Cc1sc(c2c1SCC2)N	PC-id_102423227	182.266	CSABRZFICMXMMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010340
CC1Cc2c(C1)c(c(s2=O)C)C	PC-id_139958692	182.283	ORMYOTJIIZRCEQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010341
CC1Cc2c(C1O)c(c(s2)C)C	SCHEMBL1823724,PC-id_21943888	182.283	YVKBNMCPTLRNDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010342
Cc1cc2c(s1)CC(C2O)(C)C	PC-id_90794788,SCHEMBL19981573	182.283	CCBZCVHDUPODNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010343
Cc1sc2c(c1)C(C(C2)C)(C)O	SCHEMBL2923251,PC-id_21881023	182.283	AHGRAEYIUJMYPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010344
CC1Sc2c(C1)oc(c2)C(C)C	SCHEMBL12617583,PC-id_68329174	182.283	IGHDAIQOQFACTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010345
CC(c1cc2c(s1)CCC2O)C	PC-id_91317904,SCHEMBL19981719	182.283	LYVQYVKENADRCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010346
CCc1oc(c2c1SCC2)CC	PC-id_13595304,SCHEMBL2085282	182.283	IZMINQOWWBOMSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010347
CC(C)C1C(Cc2c1ccs2)O	PC-id_89022744	182.283	YHZNRHOQWBAISZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010348
CCC(c1sc2c(c1)CCC2)O	EMOLS-id_114469582,PC-id_115787654	182.283	XDYOSEKKEPORHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010349
CC([C@@H]1[C@H](O)Cc2c1ccs2)C	SCHEMBL13139754	182.283	YHZNRHOQWBAISZ-SCZZXKLOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010350
CC(C)(O)c1cc2CCCc2s1	MCULE-2362875594,EMOLS-id_313850042	182.283	OMKADLBRWBRRAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010351
C[C@H](O)Cc1cc2CCCc2s1	MCULE-2066411511,EMOLS-id_313839540	182.283	IEJUAZCAJMQFLW-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010352
C[C@@H](O)Cc1cc2CCCc2s1	MCULE-5207902435,EMOLS-id_313839028	182.283	IEJUAZCAJMQFLW-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010353
CC(O)Cc1cc2CCCc2s1	PC-id_83675076,EMOLS-id_313839284,MCULE-5819544306	182.283	IEJUAZCAJMQFLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010354
OCCCc1cc2CCCc2s1	EMOLS-id_314043839,MCULE-7249700248	182.283	WWGVLZXEAKTSAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010355
s1c2c(CCC2)c(c1CCO)C	PC-id_83674183	182.283	NERLBPAKNJEGLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010356
c12CCCc1sc(CNC)c2N	EMOLS-id_330867535,MCULE-4852104109	182.286	RYVMSRSWEQIWPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010357
c12CN(Cc1scc2CNC)C	EMOLS-id_331066918,MCULE-6578158578	182.286	HOCUGIPLPMZAGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010358
c12CN(Cc1sc(CNC)c2)C	EMOLS-id_330872389,MCULE-7895262700	182.286	LLXBOVLHDLFPND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010359
c12SCCn1cc(C(C)(C)C)n2	ZINC22_165090,MCULE-9168123615,SCHEMBL13248499,EMOLS-id_49814385,PC-id_2796969	182.286	BLJGYIZTYYIHCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010360
c1(CNC)c2CCCc2sc1N	MCULE-7413980644,EMOLS-id_331059239	182.286	QXMYJBXJJYCYFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010361
CC1(CC(c2nsnc12)(C)C)C	PC-id_89354036,SCHEMBL14507186	182.286	HNHRKOWCLINORN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010362
CC1(C)CC(c2c1snn2)(C)C	SCHEMBL12840851,PC-id_68399971	182.286	MLXZHOPWWJSEQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010363
Cc1nc2c(s1)NC(C2)C(C)C	SCHEMBL14791498,PC-id_89449918	182.286	JIJAWTCIKCEDAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010364
Cc1sc2c(n1)CN(C2)C(C)C	PC-id_57601403,SCHEMBL8217049	182.286	PHQIVXRQEMCXIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010365
CCC1CCc2c1nc(s2)NC	PC-id_116175989,EMOLS-id_96566765	182.286	ASQCJANREFOXSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010366
CC(C1CCc2c1nc(s2)N)C	PC-id_58125147,SCHEMBL12862689	182.286	BMMAXUYBKRHSPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010367
CC(c1cn2c(n1)CSC2)(C)C	PC-id_59229692,SCHEMBL13424009	182.286	UIQMGRZTUPCAJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010368
CC(c1nc2c(s1)CCN2C)C	PC-id_90274191,SCHEMBL15866358	182.286	XQROCGXPCGDNSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010369
CC(c1nc2c(s1)N(CC2)C)C	SCHEMBL14926276,PC-id_89549121	182.286	CGCXJNAFDPFZIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010370
CCc1nc2c(s1)N(CC2)CC	SCHEMBL19965759,PC-id_134341682	182.286	WIFQORSYUSCNAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010371
CCC1NC(c2c1scn2)CC	SCHEMBL12018311,PC-id_68197727	182.286	USPYWIHXUCNWAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010372
CC(c1nn2c(c1)CSC2)(C)C	SCHEMBL12622662,PC-id_59229696	182.286	SYHRXSOICAOBCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010373
CC(c1nn2c(c1)SCC2)(C)C	SCHEMBL13424018,PC-id_59229743	182.286	SWNUMEMUTVCRCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010374
CC(c1sc2c(n1)CNC2)(C)C	PC-id_83683994,SCHEMBL20312844	182.286	FXAGMULALNSHKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010375
CC(Cc1cnc2n1CCS2)C	SCHEMBL19262396	182.286	HYQLBVVHTBVMCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010376
CC(CC1CSc2n1ccn2)C	SCHEMBL19262403	182.286	AJWVRXVVGZQGBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010377
CC(C)c1nc2c(s1)CN(C2)C	PC-id_90267856,SCHEMBL15857871	182.286	TVIIXECRSIRXSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010378
CC(Cc1nc2n(c1)CCS2)C	SCHEMBL19185513	182.286	DDLZLMGIUDSGJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010379
CCC(c1sc2c(n1)CCC2)N	PC-id_24261669,EMOLS-id_38233878	182.286	PZYOYDYCCGKDPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010380
CC(Cc1sc2c(n1)CCC2)N	PC-id_24262032,EMOLS-id_39251902	182.286	JSMMXJXRRKEJAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010381
CCCc1sc2c(n1)CN(C2)C	PC-id_144656912	182.286	CMWBXMOPLAVEJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010382
CC(C)Cn1cc2CSCc2n1	EMOLS-id_324396119,MCULE-9020771769	182.286	CZZOASLMGZGINX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010383
CCCn1c(=N)sc2c1CCC2	EMOLS-id_114469838	182.286	FFFKBJQIFAYXLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010384
CC(N1Cc2c(C1)ncs2)(C)C	SCHEMBL740978,PC-id_18442816	182.286	KWZQDXGISFWZMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010385
CCNc1nc2c(s1)CCC2C	EMOLS-id_40959112,PC-id_65046751	182.286	WHGSQAYPSGSLDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010386
CCNCC1CCc2c1ncs2	EMOLS-id_194505733	182.286	XRHSBHAUZYQSTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010387
CC(Sc1[nH]c2c(n1)CCC2)C	EMOLS-id_97110165	182.286	UCFQCYZFQUOMEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010388
Clc1sc2c(c1Cl)N=CC2	PC-id_141152579	192.066	PSXPYYBGSHLKOK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011761
CNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42566843,PC-id_79863916	182.286	ZYXQJAMSZSRKKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010389
CNCC1CCc2c1nc(s2)C	PC-id_83876150,EMOLS-id_96551088	182.286	ZSXUXMDBIUBXMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010390
CNC(c1sc2c(n1)CCC2)C	EMOLS-id_38236598,PC-id_61332544	182.286	OYSKCVXXPBSGTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010391
CNCCc1sc2c(n1)CCC2	PC-id_62545015,EMOLS-id_39153053	182.286	CGMDGPBGHFWWAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010392
n1c2CCCc2sc1C(C)(C)N	EMOLS-id_38234302,MCULE-8682709316,PC-id_61338422	182.286	GPRVINZZECKJCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010393
n1c(CNCC)sc2CCCc12	PC-id_46784916,EMOLS-id_39152435,MCULE-5859406640	182.286	BNIAMRLMFUCOSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010394
Nc1nc2c(s1)C(CC2C)(C)C	PC-id_106662902,EMOLS-id_96573608	182.286	SIQNZWDIDSKPHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010395
NCC1CCc2c1nc(s2)CC	EMOLS-id_96364285,PC-id_84110819	182.286	PKEVVWZJTSYJSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010396
NCc1sc2c(n1)C(CC2)(C)C	PC-id_79857093,EMOLS-id_42568803	182.286	SEJXYMKNTFZBAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010397
NCC(c1sc2c(n1)CCC2)C	PC-id_24262003,EMOLS-id_39250074	182.286	RZKQLYYSCHJJLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010398
NCCc1scc2c1CCN2C	PC-id_96627814	182.286	WBMKUHKQLQPYSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010399
NCCCc1sc2c(n1)CCC2	PC-id_24261852,EMOLS-id_39247152	182.286	PNXGHRYQHZEZOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010400
NNC(c1sc2c(c1)CCC2)C	EMOLS-id_50841648,PC-id_105282567	182.286	VCQISUKUWIZDBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010401
s1c2CCC(c2nc1C)CCN	PC-id_83876151	182.286	ODMIMFRFDCOQJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010402
s1c2C(CCc2nc1C)CCN	PC-id_83876156	182.286	VSKMIQGSOJPPIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010403
s1c2C(CCc2nc1C)CNC	PC-id_83876155	182.286	XOKDIUDEQWZVQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010404
s1c2CCCc2nc1[C@H](N)CC	PC-id_42078027	182.286	PZYOYDYCCGKDPJ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010405
s1c2CCCc2nc1NC(C)C	PC-id_62941813	182.286	JQSGMCOUKGIRIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010406
s1c2CCCc2nc1NCCC	PC-id_62942358	182.286	WPISAIWLMWWCHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010407
s1c2CCC(N)c2nc1C(C)C	PC-id_83876152	182.286	RZLSJWPFSYVDGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010408
s1c2CCN(c2cc1CCN)C	PC-id_82601484	182.286	MRYNGKLMNIIBQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010409
s1c2CCN(c2cc1C(N)C)C	PC-id_82601479	182.286	UJPALRQTGWWOEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010410
s1c2c(nc1CC(C)C)CNC2	PC-id_83683993	182.286	XNOGJWUDFDQUKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010411
s1c2C(NCc2nc1C(C)C)C	PC-id_82374898	182.286	ASEBOYYOVRBGQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010412
s1c2C(N)CCc2nc1C(C)C	PC-id_83876157	182.286	CIGMAKDDAFLAEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010413
s1c(c2CCC(N)c2c1)C(N)C	PC-id_82601482	182.286	WCIFYHBVUKDRAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010414
S1Cc2c(c([nH]c2C1)C)CCN	PC-id_84768836	182.286	PBCGHMUDQCGZOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010415
s1c(c2CN(Cc2c1)C)CCN	PC-id_82407521	182.286	JGEOORRQGIYVPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010416
SC1c2n(CC1)cnc2C(C)C	PC-id_82407531	182.286	BOCSDYHEVGSUCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010417
SCCCc1n[nH]c2CCCc12	MCULE-9378167649,EMOLS-id_313868127	182.286	WZNWUMZGQMHKRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010418
CC[NH+]1Cc2c(C1)c(sc2C)C	PC-id_122375107	182.306	KPNDJZJQEPMJFZ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-010419
Cc1sc2c(n1)C(OB2O)(C)C	PC-id_144427293	183.036	FDRZPMOANGFRIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010420
CCNC(=O)C1=C2C(=CO1)OCO2	PC-id_154458852	183.053	AEPVQAHIUOPMNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010421
COC1C2=C(C(=O)N1)N=C(N2)OC	PC-id_153965331	183.064	MVONRPQRBBTGDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010422
Cc1c(n2CC(Cc2c1)F)C(=O)O	PC-id_163674329	183.07	JFHRLKJIRKRXGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010423
C1CN2C(=C(C(=O)N2C1)N)CCO	PC-id_153739915	183.101	APBHXHLOMNCWKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010424
[se]1c2CC(=Cc2cc1)C	PC-id_85787531	183.109	LHRNZOYZGQNTGN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010425
o1nc(c2c1CC(O)C2=O)C(=O)O	PC-id_82601543	183.118	LMFVOFMOVQIWCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010426
o1nc2CN(C(=O)c2n1)CC(=O)O	PC-id_82407434	183.122	VSZFCQFYVGBIBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010427
c1c2c(c(s1)N=O)C(=O)OC2=O	PC-id_88045689,SCHEMBL6817131	183.141	SNDYNJKRRAJNCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010428
FC1(F)Cc2cc(CC#N)nn2C1	MCULE-3688644636,EMOLS-id_317875709	183.158	AEBKNQXCUGVBFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010429
FC1(F)Cc2c(CC#N)cnn2C1	MCULE-5013810809,EMOLS-id_317876477	183.158	FEMHPBUWHDDHGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010430
CC1Cc2c(C1(O)C(=O)O)cno2	PC-id_112714792	183.161	CIVKGZAMKZCSLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010431
CCOC(=O)c1noc2c1CCO2	PC-id_117274710	183.161	RALMRQHQSUALIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010432
COc1noc2c1CCC2C(=O)O	PC-id_105440393	183.161	QIKDZDRWZXXYIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010433
COc1onc2c1CCC2C(=O)O	PC-id_105440392	183.161	DIPPSCPOSPLNAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010434
o1c2C(CCc2[nH]c1=O)CC(=O)O	PC-id_83876169	183.161	FQHIUQBWIINTEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010435
o1c2c([nH]c1=O)C(CC2)CC(=O)O	PC-id_83876171	183.161	BOFPNZJRWAOYLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010436
O1c2c(onc2C(C)C(=O)O)CC1	PC-id_82407397	183.161	NFXLQEPKMZQPTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010437
O1c2n(CC1)ccc2C(O)C(=O)O	PC-id_82407428	183.161	QOPQZVDJGLJHLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010438
O1c2n(CC1)cc(c2)C(O)C(=O)O	PC-id_82407429	183.161	MVNHCWUHAQQRPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010439
O1c2n(CC1)c(C(O)C(=O)O)cc2	PC-id_82407430	183.161	CYMIOGYMDQKBHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010440
o1nc2c(C(O)CC2)c1CC(=O)O	PC-id_83863678	183.161	RAUJSWGEKOUEFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010441
o1nc(c2C(O)CCc12)CC(=O)O	PC-id_83863525	183.161	SHTNXTQESPIHQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010442
o1nc(c2C(O)(CCc12)C(=O)O)C	PC-id_83906729	183.161	KBGZSMQIEIHPLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010443
o1[nH]c(=O)c2CCC(c12)CC(=O)O	PC-id_82407424	183.161	YEVCDMNVUOKXFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010444
o1[nH]c(=O)c2C(CCc12)CC(=O)O	PC-id_82407425	183.161	YXXWAPBEVMRECI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010445
o1[nH]c(=O)c2CC(Cc12)CC(=O)O	PC-id_82407427	183.161	IKBLMJGYJPMJFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010446
OC1(CCc2oncc12)CC(=O)O	PC-id_83906726	183.161	NEQYSOZRVHJPHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010447
OC(=O)c1noc2c1COC2(C)C	EMOLS-id_96140983	183.161	AXSJUFQFLLXBQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010448
C1C(C(c2nccn12)C(=O)NO)O	SCHEMBL20445258,PC-id_135280693	183.165	AKFWCOMYVXLVJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010449
C1Cn2cc(nc2N1)C(C(=O)O)O	PC-id_136313002	183.165	FXNIVHBGBXBQGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010450
CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL13461164,PC-id_59711066	183.165	KSSGVSYOYOQEKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010451
CCC1Cn2cc(nc2O1)[N+](=O)[O-]	SCHEMBL18031624,MCULE-2045157188,CHEMBL507853,PC-id_72494,PD160632,EMOLS-id_72954349	183.165	AEKVVFWCBKEYSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010452
Cn1c(=O)n2C(CCc2n1)C(=O)O	PC-id_137795282	183.165	TYLCQFKRRUHUTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010453
Cn1nc2CC[C@@H](C(=O)O)n2c1=O	EMOLS-id_337967805,MCULE-2815419538	183.165	TYLCQFKRRUHUTK-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010454
COC(=O)C1CCc2n[nH]c(=O)n12	EMOLS-id_93405578,MCULE-8427409470,PC-id_69077734,SCHEMBL4522101	183.165	ISNSDYAWZYNNHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010455
COC(=O)[C@@H]1CCc2n[nH]c(=O)n12	MCULE-5280887343,SCHEMBL19584519,ZINC22_165480184	183.165	ISNSDYAWZYNNHY-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010456
COC(=O)[C@H]1CCc2n[nH]c(=O)n12	ZINC22_165480313	183.165	ISNSDYAWZYNNHY-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010457
CONC(=O)c1cc2n(n1)CCO2	EMOLS-id_114471286	183.165	CXERDGVBYHDGNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010458
NC(c1cnc2n1CCO2)C(=O)O	PC-id_112489130	183.165	FWXZGEFGSRKJEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010459
O1c2n(nc(c2)C(N)C(=O)O)CC1	PC-id_82407376	183.165	SUAXOOYDUSZIIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010460
O1C(Cn2c1c(nc2C)[N+](=O)[O-])C	PC-id_49771195	183.165	VEMILZNOVLYIFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010461
O1C(Cn2c1ncc2[N+](=O)[O-])CC	PC-id_21115167	183.165	OZFMLBASATVBLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010462
O1CCn2c(nnc12)CCC(=O)O	PC-id_82601554	183.165	DKWNITSQONXBTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010463
O1C(Cn2ncc(c12)C(=O)O)CN	PC-id_84039140	183.165	PPOAKOIPKFKXDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010464
O1C(Cn2nc(cc12)C(=O)O)CN	PC-id_84039141	183.165	UBLOJRPBAOGIEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010465
O1CCn2nc(nc12)CCC(=O)O	PC-id_82601553	183.165	GUNDCUZEFSRVAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010466
O1[C@@H](Cn2c1nc([N+](=O)[O-])c2)CC	PC-id_73953237	183.165	AEKVVFWCBKEYSC-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010467
o1nc2CN(Cc2c1N)C(=O)OC	PC-id_83846833	183.165	SXOPXVCTONCHPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010468
o1nc(N)c2CN(Cc12)C(=O)OC	PC-id_83846832	183.165	FOERXOKWDKFMEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010469
OC1CCn2nc(N)c(c12)C(=O)O	PC-id_83672067	183.165	NOFLWMJRWFGLRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010470
O=c1n(c2NCCc2[nH]1)CC(=O)O	PC-id_82407369	183.165	LPUGJAVJRBRBRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010471
O=c1[nH][nH]c2c1C(NC2)CC(=O)O	PC-id_83817179	183.165	AGRXVNSEFJVKPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010472
OC(c1n2CCNc2cn1)C(=O)O	PC-id_82407389	183.165	UMLOALQDBHWLJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010473
OC(=O)C1N(Cc2c1[nH][nH]c2=O)C	PC-id_82407382	183.165	XCZYSDKZDMJCAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010474
OC(=O)Cn1[nH]c2c(c1=O)CNC2	PC-id_105440414	183.165	SSNCLVFPZHPFSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010475
O(C(=O)N1Cc2[nH][nH]c(=O)c2C1)C	PC-id_83846834	183.165	JZSGAQUJESWRDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010476
ON1Cc2c(C1)nc(n2C)C(=O)O	SCHEMBL17380114,PC-id_118613858	183.165	OLURECRNLOHPDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010477
[O-][N+](=O)c1cn2c(n1)O[C@H](C2)CC	PC-id_119026005	183.165	AEKVVFWCBKEYSC-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010478
PC1=CC(=O)n2c1ccc2S	PC-id_144205915	183.167	HHPCDCIOXZHXFE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010479
CC1NNc2c(c(nn12)C(=O)O)N	PC-id_136650720	183.168	FWUCRUOPNPHMSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010480
CC1Cc2c(C1)c(c([nH]2)C(=O)O)F	SCHEMBL8159260,PC-id_70291049	183.18	OQWAMXAKACHMON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010481
CC1CCc2c1c(F)c([nH]2)C(=O)O	SCHEMBL8157843,PC-id_70290725	183.18	KWIDXJFIDQDWLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010482
CC1CCc2c1[nH]c(c2F)C(=O)O	SCHEMBL8153470,PC-id_70289693	183.18	OKILLYUHNJMHHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010483
C[C@H]1Cc2c(C1)c(c([nH]2)C(=O)O)F	SCHEMBL12777405,PC-id_57659940	183.18	OQWAMXAKACHMON-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010484
C[C@H]1CCc2c1c(F)c([nH]2)C(=O)O	PC-id_57659845,SCHEMBL12777414	183.18	KWIDXJFIDQDWLR-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010485
C[C@@H]1CCc2c1[nH]c(c2F)C(=O)O	PC-id_57659879,SCHEMBL12777402	183.18	OKILLYUHNJMHHN-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010486
CC(=O)c1noc2c1C(C)(F)CC2	PC-id_105440427	183.18	XFYYYDAGCBTVRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010487
F[C@H]1Cn2c(C1)cc(c2C(=O)O)C	PC-id_142295140	183.18	JFHRLKJIRKRXGQ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010488
CCC(=O)c1nn2CCC(c2n1)F	PC-id_137412458,SCHEMBL20645863	183.183	MUMXMBTWJIDJEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010489
O=C1Cc2c(N1)sc(c2)C(=O)O	SCHEMBL6628936,PC-id_69844839	183.184	CKZUGZNDEKRXFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010490
OC(=O)c1cc2c([nH]1)C(=O)CS2	SCHEMBL13866378,PC-id_57659960	183.184	WWCAKOMIFMFIDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010491
OC(=O)c1scc2c1C(=O)CN2	PC-id_112545315	183.184	YDQAIBWIESIVGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010492
OC(=O)c1scc2c1NCC2=O	PC-id_112545314	183.184	GQLWJCLLRIERNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010493
s1c2c(CNC2=O)cc1C(=O)O	PC-id_20542803	183.184	SAZYNXZYAXNSKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010494
s1c2c(CNC2=O)c(c1)C(=O)O	PC-id_82407347	183.184	YAXARNTXUZQGNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010495
s1c2c(C(=O)NC2)cc1C(=O)O	PC-id_82407348	183.184	QKQLFRDRFDBADV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010496
s1c2c(NC(=O)C2)cc1C(=O)O	PC-id_75355589	183.184	VRXJRLBCDHIVTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010497
s1c2c(OC(N)C2=O)cc1C=O	PC-id_82601579	183.184	PXYSCOIUDPFWIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010498
s1c2NCC(=O)c2cc1C(=O)O	PC-id_84014086	183.184	RUORAJHTGWTWDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010499
s1c2OC(N)C(=O)c2cc1C=O	PC-id_82601580	183.184	UIAXPAIYGNCGTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010500
s1c(c2OC(N)C(=O)c2c1)C=O	PC-id_82601578	183.184	GYNLLHVNECTHOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010501
s1c(nc2c1C(=O)OC2=O)CC	PC-id_84658927	183.184	WSUYMJKCXKBDFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010502
s1c2c(C(O)C(=C2)[N+](=O)[O-])cc1	PC-id_13897089	183.185	ZEUVRYSLALDIGB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010503
s1cc2C(O)C(=Cc2c1)[N+](=O)[O-]	PC-id_13897091	183.185	KJRDKJYZMLVPFV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010504
C=C1Cn2c(nnc2C(=O)O)S1	ZINC22_1775955532,PC-id_139026654,MCULE-2073494824,EMOLS-id_317774416	183.188	BQVUYBQVCYPQCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010505
CNc1snc2c1C(=O)NC2=O	SCHEMBL18879029	183.188	QSBRTWWXCHYLIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010506
N#Cc1n[nH]c2c1CS(=O)(=O)C2	PC-id_105440432	183.188	DKKVANBHZHTUEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010507
s1nc2c(C(=O)N(C2=O)C)c1N	PC-id_85519458	183.188	CFEQPOPGTOBBDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010508
S1(=O)(=O)CCn2c1nc(c2)C#N	PC-id_82655026	183.188	BFHTUYUWGHZLII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010509
S1(=O)(=O)CCn2nc(cc12)C#N	PC-id_82655027	183.188	LFXKAIPDWLPOAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010510
c1(C(OC)OC)nnc2CCCn12	MCULE-2127524242,EMOLS-id_42819628,ZINC22_72206969,PC-id_102537456	183.208	KBLRNPKCYWNKPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010511
Cc1nc2n(c1C(CN)O)CCO2	PC-id_112489113	183.208	OMVDZVZBFRZGEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010512
CC(C(c1cc2n(n1)CCO2)O)N	PC-id_112489112	183.208	YIFHJLGCRQDAST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010513
CCOc1nc2c(n1C)CN(C2)O	PC-id_118613853,SCHEMBL17380109	183.208	XWPLYLMOBVZNKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010514
NCCCn1[nH]c2c(c1=O)COC2	PC-id_105440533	183.208	ICNAJEPWACUADD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010515
O1c2n(CC1)c(c(n2)CNOC)C	PC-id_82601689	183.208	MOBFZUXGSUHDEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010516
O1c2n(CC(N)C)c(=O)[nH]c2CC1	PC-id_82407279	183.208	MGVVSLIUVUAFJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010517
O1c2n(nc(N)c2OC1)CC(C)C	PC-id_82407280	183.208	AMODLVDQADTQNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010518
o1[n+]([O-])c2C(NC(c2n1)(C)C)(C)C	SCHEMBL9307627,PC-id_18957940	183.208	LLPINILQOAVECF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010519
OCC(c1nc2c([nH]1)COC2C)N	PC-id_102970355	183.208	IAFPSDOTGDUXKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010520
OCCCn1[nH]c2c(c1=O)CNC2	PC-id_105440532	183.208	KOXRKEJQUOBMIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010521
OCCn1nc2c(c1CO)CNC2	PC-id_105440524	183.208	PHCUBDCAYUZCOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010522
s1c2CCC(c2nc1N)C(=O)[O-]	PC-id_74634760	183.208	KFYXOFMSRBYDBP-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-010523
s1c2CC[C@@H](c2nc1N)C(=O)[O-]	PC-id_33679590	183.208	KFYXOFMSRBYDBP-VKHMYHEASA-M	00000010100000000001000010000000000000000000000000000000	25-01-010524
s1c2CC[C@H](c2nc1N)C(=O)[O-]	PC-id_33679594	183.208	KFYXOFMSRBYDBP-GSVOUGTGSA-M	00000010100000000001000010000000000000000000000000000000	25-01-010525
c12N(C)CCn1nc(C(N)CO)n2	MCULE-5483193821	183.211	QKIPIXOBOOOCNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010526
C1C(c2c(N1)ncn2CCN)(N)O	PC-id_89901171,SCHEMBL15384275	183.211	JIKAIKOPYMEWMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010527
CC(c1nn2CCNc2n1)N(C)O	PC-id_137229691	183.211	AGKFKOKFQCBYBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010528
CCOc1nn2C(NNc2c1N)C	PC-id_136650052	183.211	NPGSQHYTUFVAGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010529
COCC(c1c2NCCn2nn1)N	PC-id_136312998	183.211	UWFSADKQEWXLMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010530
OC(c1nnn2c1N(CC2)C)CN	PC-id_83876232	183.211	HQCSETRLYYAJTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010531
OCC(N)c1nnn2c1N(CC2)C	PC-id_83876233	183.211	DEKBWZQONBODSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010532
O(NCc1nn2CCN(c2n1)C)C	PC-id_82601698	183.211	VFRCGOIOVIFLHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010533
c12C(C)CCc1n(nc2N)CCF	EMOLS-id_330969072,MCULE-2330368942	183.226	YKSXCRYMNFOSPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010534
c12C(C)CCc1nn(CCF)c2N	MCULE-3496661388,EMOLS-id_331015075	183.226	PUDOWFAGBMLUQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010535
CC(Cn1nc2c(c1)CNC2)(F)C	SCHEMBL15572552,PC-id_83855094	183.226	PTUMLPRVISJACK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010536
CC(Cn1ncc2c1CNC2)(F)C	PC-id_118479018,SCHEMBL17213862	183.226	OUHSDCROPYVHOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010537
CCn1nc(c2c1CCC2(C)F)N	PC-id_105440597	183.226	PJXJSFGIWVBBDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010538
FC1CCc2c1c(N)nn2C(C)C	PC-id_105440598	183.226	DLMDECBXPDEWOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010539
FCCNC1CC(n2c1ncc2)C	EMOLS-id_265457398	183.226	OAVNPVHMZZWMNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010540
n1c(CN)c2c(CCC2)n1CCF	EMOLS-id_324390484,MCULE-2522636027	183.226	KRNGCHYSURUOEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010541
NCc1nn(c2c1C(C)(F)CC2)C	PC-id_105440600	183.226	PVNVBHDMKDKHKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010542
NCc1nn(c2c1C(F)CC2)CC	PC-id_105440599	183.226	YDPGLMPGPMFGOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010543
NCCC(F)c1n[nH]c2CCCc12	EMOLS-id_313881178,MCULE-9376398190	183.226	AJKHRZIEJGXDPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010544
c12c(CCC1C(=O)O)sc(C)n2	SCHEMBL1155493,MCULE-3305990629,EMOLS-id_42767596,PC-id_86332377	183.228	LXTQNZVLBRIKML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010545
c12CN(Cc1sc(C(=O)O)c2)C	PC-id_55252788,EMOLS-id_302089925,MCULE-1827619052	183.228	IFAYJFIIBWNWRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010546
C1Cc2c(C1O)cc(s2)C(=O)N	PC-id_90896108	183.228	WEAXNMRVDQULRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010547
C1C(C(c2c1ccs2)N)C(=O)O	PC-id_90072907	183.228	XEUVKTRZGCRZRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010548
c1(C=O)c2CNCc2sc1OC	EMOLS-id_331065643,MCULE-3567145212	183.228	ROCMOODAFQDFMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010549
c1(C(=O)NC)csc2COCc12	EMOLS-id_331059246,MCULE-1235717888	183.228	OUWXDRJCMDZXMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010550
c1(C(=O)OC)cc2c(CNC2)s1	PC-id_55252787,SCHEMBL1175208,EMOLS-id_207577244,MCULE-4996551552	183.228	FGDDGGRPQFRCJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010551
c1(C(=O)OC)csc2CNCc12	MCULE-7209209194,EMOLS-id_337652479	183.228	JRTOGUMSPVGKQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010552
c1(C(=O)O)c(N)c2c(CCC2)s1	MCULE-2279237951,EMOLS-id_330870606	183.228	BUCIIBPOBLOXRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010553
c1(C(=O)O)csc2CN(C)Cc12	MCULE-4222320774,EMOLS-id_331064358	183.228	BYIBHSLZLFZLEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010554
CC1Cc2c(N1)sc(c2)C(=O)O	PC-id_141534134	183.228	KVDRJDRQBHPHTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010555
CC1CCc2c1nc(s2)C(=O)O	SCHEMBL15160559,PC-id_89729306	183.228	QJFOBGQOVAPJFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010556
CC1CSc2c1[nH]c(c2)C(=O)O	SCHEMBL8162490,PC-id_70291778	183.228	DAILUZGMGJCSIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010557
Cc1nc2c(s1)CC[C@@H]2C(=O)O	ZINC22_82394126	183.228	LXTQNZVLBRIKML-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010558
Cc1nc2c(s1)CC[C@H]2C(=O)O	ZINC22_82394128,EMOLS-id_50763624	183.228	LXTQNZVLBRIKML-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010559
CC1Sc2c(C1)[nH]c(c2)C(=O)O	SCHEMBL8163382,PC-id_70291957	183.228	LUWNPXZUXULXGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010560
C[C@@H]1CSc2c1[nH]c(c2)C(=O)O	SCHEMBL12777489,PC-id_57659901	183.228	DAILUZGMGJCSIZ-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010561
C[C@@H]1Sc2c(C1)[nH]c(c2)C(=O)O	PC-id_57659907,SCHEMBL12777487	183.228	LUWNPXZUXULXGK-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010562
CN1CCc2c1csc2C(=O)O	PC-id_96627431	183.228	YNKDSJBBNZTKDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010563
CN1CCc2c1sc(c2)C(=O)O	EMOLS-id_11483790,PC-id_16767608	183.228	YEPCCYQNVRHFFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010564
COC(=O)C1Cc2c(N1)scc2	SCHEMBL7694022,PC-id_70164716	183.228	VNPIGMQOYNVOSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010565
COC(=O)C1CCc2c1scn2	SCHEMBL17340985,PC-id_118580381	183.228	OQSGAFJUFRFXAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010566
COC(=O)C1Nc2c(C1)csc2	PC-id_140994376	183.228	CFGGWTMBXZETOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010567
COC(=O)N1CCc2c1csc2	PC-id_141904697	183.228	VGMSOTLHRCRJJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010568
NC1(CCc2ccsc12)C(=O)O	PC-id_83906736,MCULE-7573526243,EMOLS-id_178505170	183.228	GTNLESXQGHFJPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010569
NC1(CCc2sccc12)C(=O)O	PC-id_83906738,MCULE-2971924440,EMOLS-id_178505164	183.228	XOTXMAKHPUPDCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010570
Nc1c(C(=O)O)c2c(CCC2)s1	SCHEMBL11479163,PC-id_5151249,EMOLS-id_35697066,MCULE-3524530250,ZINC22_3163108	183.228	GYWYRJBGPKHKCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010571
O=Cc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96828070	183.228	LYCHNEZWMSKDBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010572
OC(=O)C1Nc2c(C1)sc(c2)C	SCHEMBL9887802,PC-id_67951850	183.228	URTAHGDKNLUURW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010573
OC(=O)Cc1sc2c(n1)CCC2	PC-id_28950291,EMOLS-id_37481481	183.228	KQGPKRRARGLNSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010574
OC(=O)[C@@H]1Cc2c([C@H]1N)ccs2	PC-id_121482062	183.228	VQQWFGJAIVDELJ-IYSWYEEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010575
OC(=O)CN1Cc2c(C1)csc2	PC-id_67844067,SCHEMBL9408093	183.228	JNWZJPUEBWEZOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010576
ONC(=O)c1sc2c(c1)CCC2	PC-id_24711698,EMOLS-id_37226375	183.228	BSBGKQJNJATSJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010577
[O-][N+](=O)Cc1cc2CCCc2s1	MCULE-2003580750,EMOLS-id_313791949	183.228	HJRFDSPIMSRXTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010578
s1c2CCC(c2nc1)CC(=O)O	PC-id_83876245	183.228	UEUZHGXQXQKXDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010579
s1c2C(CCc2nc1)CC(=O)O	PC-id_83876247	183.228	CVBDPCRRIVDKDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010580
s1c2C(CCc2nc1C)C(=O)O	PC-id_83876248	183.228	GBSZCICDJIUWJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010581
s1c2c(C[C@@H](O)C2=NOC)cc1	PC-id_11816249	183.228	ATQJZOSIACBNBN-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010582
s1c2CCC(N)c2cc1C(=O)O	PC-id_82378200	183.228	XTJZQGUSUDLHDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010583
s1c2C(CC(=NO)c2cc1)CO	PC-id_11492055	183.228	QLMFCPNNACTAKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010584
s1c2c(CC(O)C2=NOC)cc1	PC-id_21578625	183.228	ATQJZOSIACBNBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010585
s1c2CCN(c2cc1C(=O)O)C	PC-id_82407153	183.228	MVLPYLRVGXGPPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010586
s1c(c2CCC(N)c2c1)C(=O)O	PC-id_82407142	183.228	HIEAKDIZPMRGTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010587
s1c(c2c(CNC2)c1)CC(=O)O	PC-id_82407173	183.228	UXQNXTQZNHVOGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010588
s1c(c2CN(Cc2c1)C)C(=O)O	PC-id_82407152	183.228	LGVHZLNRCXZCAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010589
s1cc2C(N)(CCc2c1)C(=O)O	PC-id_83906737	183.228	QXGXVDLXSTYYIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010590
S1Cc2c([nH]c(c2C(=O)O)C)C1	PC-id_84769129	183.228	CSIPCRQZQJOUDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010591
s1c(c2c(OCC2=O)c1)CCN	PC-id_82407137	183.228	FHEZZRJSNVRHRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010592
S1Cc2[nH]c(cc2C1)CC(=O)O	PC-id_84769130	183.228	KEPBTTGKNHGOBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010593
s1c(CCN)cc2OCC(=O)c12	PC-id_82407136	183.228	NTEIFTTULCBVCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010594
s1nc2CC(Cc2c1)CC(=O)O	PC-id_82407159	183.228	LHMJIKXNOWJKLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010595
s1nc2CCC(c2c1)CC(=O)O	PC-id_82407160	183.228	UVMNDFYBMPFLFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010596
s1nc2C(CCc2c1)CC(=O)O	PC-id_82407162	183.228	AKRXYMBRLCTPAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010597
s1ncc2CCC(c12)CC(=O)O	PC-id_82407148	183.228	TXGYPVDYPSJLCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010598
c1(C(=O)N)c2CNCc2sc1N	MCULE-6538981390,EMOLS-id_331066156	183.231	BUQXDMSWGVRHMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010599
c1(NC(=O)C)sc2c(CNC2)n1	PC-id_71695476,EMOLS-id_45814597,ZINC22_62215070,MCULE-9969653342	183.231	ICNYOZGDPQQBAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010600
CC1(CSc2n1cnc2)C(=O)N	PC-id_140966836	183.231	KSJWWENOGLGZKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010601
Cc1nc2n(c1/C=NO)CCS2	CoCoCo_5604942	183.231	DYCZNIPHYHAWBG-YWEYNIOJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010602
Cc1nc2n(c1/C=N/O)CCS2	PC-id_9555505,NSC332757,LI_187470,CoCoCo_5604941	183.231	DYCZNIPHYHAWBG-XBXARRHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010603
Cc1nc2n(c1C(=O)N)CCS2	NSC332759,PC-id_333049,CoCoCo_5604944,ZINC22_5386940	183.231	CKPRDURKTMCNSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010604
Cc1nn(C(=S)N)c2c1CCO2	ZINC22_40216559,PC-id_46299032,MCULE-9241599379	183.231	KILCMIOOFVUAQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010605
CCC1C(=NO)n2ccnc2S1	PC-id_88704133,SCHEMBL10996216	183.231	RZANWMUEXDCAAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010606
CC(N1Cc2c(C1=O)snn2)C	PC-id_57698690,SCHEMBL13850164	183.231	OOCUQWXMYYOSCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010607
CC(=O)Cc1nnc2n1CCS2	PC-id_96746688	183.231	VLSKMDNPMDYWEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010608
CN1Cc2c(C1)nc(s2)C(=O)N	PC-id_142197845	183.231	HFWSXGJQISMHCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010609
CS(=O)N=C1CCn2c1ncc2	MCULE-2462536138	183.231	DMDUPEIKOSDQLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010610
n12C(=O)CSc1nc(C(C)C)n2	PC-id_82357919,MCULE-2674954905	183.231	BSFLBPSYDKXXRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010611
NC(=O)C1Cc2c(N1)sc(n2)C	PC-id_68539586,SCHEMBL3178876	183.231	HESLTGAQACQZJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010612
NC(=O)c1nn(c2c1CSC2)C	PC-id_145769842	183.231	CYVBMRKOUTULOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010613
O=CN1CCn2c1c(SC)cn2	PC-id_18955295,SCHEMBL9020248	183.231	AKHAQAXBMVEMQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010614
ON=C1n2ccnc2SC1(C)C	PC-id_22824269,SCHEMBL10997873	183.231	GIYPTPMPLYWWPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010615
s1c2CCCc2nc1NC(=O)N	PC-id_60765113	183.231	VLZIPCQBLOGYNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010616
s1c2c(nc1CN)C(NC2=O)C	PC-id_83817245	183.231	QBMDOCRMVZROCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010617
s1c2CN(Cc2nc1N)C(=O)C	PC-id_82194203	183.231	KHJJMHATOQCLCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010618
s1c2c(N(C(N)C2=O)C)nc1C	PC-id_82407130	183.231	JVFRSFUZQHIECA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010619
s1c2CNC(=O)c2nc1CCN	PC-id_83670594	183.231	AVHJQEURGSPLJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010620
S1c2n(nc(c2)C(=O)CN)CC1	PC-id_82655128	183.231	DNLKMAKPAUBSGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010621
S1c2n(nc(n2)CCC)C(=O)C1	PC-id_82357917	183.231	LIRAZEJELJLZRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010622
S1CCn2c1nc(c2C=NO)C	PC-id_333047	183.231	DYCZNIPHYHAWBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010623
S1CCn2c1nc(c2)C(=O)CN	PC-id_82655127	183.231	UDZSCGSHSLHPBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010624
S1C(C(n2c1ncc2)N=O)(C)C	PC-id_53803976	183.231	FKJHPWFEUMGCQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010625
S1CCn2c(cnc12)C(=O)CN	PC-id_82601739	183.231	LEPKVZMDLFVXKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010626
S1CCn2c(c(nc12)N)C(=O)C	PC-id_13456097	183.231	CVSHJHBAGBMSIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010627
S1CCn2nc(nc12)CC(=O)C	PC-id_82601727	183.231	AVYQPWHATYIBIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010628
S(C1Cn2ncnc2C1)C(=O)C	PC-id_10012595	183.231	GZHMIJUFFFGKHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010629
S=c1n(c2c([nH]1)CNC2)CC=O	PC-id_82407133	183.231	GHMVQIQNSWACEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010630
CSC1N=Nc2n1nc(c2N)C	PC-id_69731999,SCHEMBL6282878	183.234	KZCRFTXBDONSEL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010631
S1CCn2nc(nc12)CC(=N)N	PC-id_83676338	183.234	DGPDCJHVPZCITM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010632
C1c2c(CS1=O)sc(c2)C#N	PC-id_89105878,SCHEMBL13515594	183.251	PNNLKJRNZGLBCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010633
[C-]#[N+]c1sc2c(c1)CS(=O)C2	SCHEMBL12622671,PC-id_58280909	183.251	NFOZGWPFNVNKBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010634
c1(CN)c2CCCc2sc1OC	EMOLS-id_331060262,MCULE-1049791574	183.271	MTPMWBNCYPJDQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010635
CC1Cc2c(C1(N)CO)ccs2	PC-id_112714807	183.271	OFZLDUXCRLYGQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010636
CC1Cc2c(C1(N)CO)csc2	PC-id_112714806	183.271	MCIIMPGNABQXCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010637
CC1Cc2c(C1(O)CN)ccs2	PC-id_112714804	183.271	NIWHMARGYNUSJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010638
CC1Cc2c(C1(O)CN)csc2	PC-id_112714803	183.271	MKKIULLELLTUKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010639
CC1CCc2c1nc(s2)COC	SCHEMBL15160583,PC-id_89729326	183.271	TVHGAHFFJPDSHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010640
CC1CC(c2c1[nH]c(=S)o2)(C)C	EMOLS-id_96290642,PC-id_106799147	183.271	MYMVXJJFWSDBSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010641
CC1(C)CCc2c(CS)noc12	EMOLS-id_259607255,MCULE-7475151036	183.271	KGSHPFHXSNEJDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010642
CC1(C)OC(c2c1scn2)(C)C	EMOLS-id_107206543	183.271	QDMWIBKOJLNCIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010643
CCC1CCc2c(CS)noc12	MCULE-3273449291,EMOLS-id_259607261	183.271	QKODHNQFPATRHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010644
CCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_114475614	183.271	MIUFMCZLLCHFNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010645
CC(n1sc2c(c1=O)CCC2)C	SCHEMBL10554483,PC-id_13035396	183.271	GUUDJAJRJVDAOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010646
CC(ON)c1cc2CCCc2s1	MCULE-8060218811,EMOLS-id_313839285	183.271	ZMFCNUQSIDTWBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010647
CN(O)Cc1cc2CCCc2s1	MCULE-1236187680,EMOLS-id_313851583	183.271	YZVVHGPOAQZZRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010648
NCc1csc2c1C(C)(C)OC2	EMOLS-id_96385874	183.271	RZNZEWYVJVWFFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010649
NCC1(O)C(C)Cc2c1scc2	PC-id_112714802	183.271	CBLXPNFWPLTYGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010650
NC[C@@H](O)c1cc2CCCc2s1	EMOLS-id_313843639,MCULE-7923274240	183.271	KHUPNVTXGWMNEN-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010651
NC[C@H](O)c1cc2CCCc2s1	MCULE-6236538008,EMOLS-id_313840056	183.271	KHUPNVTXGWMNEN-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010652
NC(CO)c1cc2CCCc2s1	EMOLS-id_313843127,MCULE-3218727400,PC-id_82601779	183.271	VKLJFEHMXAWUMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010653
NCCOc1cc2CCCc2s1	MCULE-8839658967,EMOLS-id_313874247	183.271	GVRAKUPQDRYKSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010654
NCC(O)c1cc2CCCc2s1	PC-id_82601780,MCULE-4718450773,EMOLS-id_313839800	183.271	KHUPNVTXGWMNEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010655
N[C@@H](CO)c1cc2CCCc2s1	EMOLS-id_313842871,MCULE-5811397893	183.271	VKLJFEHMXAWUMD-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010656
N[C@H](CO)c1cc2CCCc2s1	EMOLS-id_313843383,MCULE-2997261980	183.271	VKLJFEHMXAWUMD-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010657
NOCCc1cc2CCCc2s1	MCULE-7082844892,EMOLS-id_313836214	183.271	GCBMDNPHMACHHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010658
OCC1(N)C(C)Cc2c1scc2	PC-id_112714805	183.271	HJTUNPMAVZCYOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010659
OCc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42571279,PC-id_79862634	183.271	LWNJWFPOBAKSKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010660
OCCCc1sc2c(n1)CCC2	EMOLS-id_313591471	183.271	JIRFKZPNKMOUBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010661
OCCNC1CCc2c1scc2	EMOLS-id_194466364	183.271	FOVKEARRZHEDPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010662
s1c2c(CCC2)c(c1CNO)C	PC-id_82601778	183.271	OGYQFRPCQVJIQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010663
s1c2CCCc2cc1CNOC	PC-id_82601783	183.271	UXPQBUYNIGBVOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010664
s1c2CC(C(O)c2cc1)CCN	PC-id_82407012	183.271	XEZHFUPJLMLJDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010665
s1c2c(C(N)(CC2)CO)cc1C	PC-id_83906762	183.271	IWSMDCCJDMKSKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010666
s1c2c(C(O)(CC2)CCN)cc1	PC-id_82407011	183.271	FYEKZJDRSHMRIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010667
s1c2c(C(O)(CC2)CN)cc1C	PC-id_83906757	183.271	GEJMPMLJZOSNGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010668
s1c2c(C(OC)(CC2)CN)cc1	PC-id_83828673	183.271	VUXLDVRHSGAZSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010669
s1c2C(N)(CCc2cc1C)CO	PC-id_83906761	183.271	LYDJLPOPBREQEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010670
s1c2C(O)(CCc2cc1C)CN	PC-id_83906756	183.271	KEEJXOAQEXMMGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010671
s1c2C(O)(CCc2cc1)CCN	PC-id_83906758	183.271	RSDPBDQIROTFQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010672
s1c(c2CCCc2c1)C(O)CN	PC-id_82406996	183.271	JCLBYBOJVSMZPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010673
S1Cc2c(CCN)c(oc2C1)C	PC-id_84769185	183.271	QPVOMFANUIQJRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010674
s1cc2C(O)(CCc2c1)CCN	PC-id_83906759	183.271	YLTNPZMODDFQEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010675
S1Cc2n(cc(c2C1)C)CCO	PC-id_58730355	183.271	UTVUONPFNROQCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010676
s1n(c(=O)c2CCCc12)CCC	PC-id_20159715	183.271	IRAFGADZIUFYHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010677
c12CN(Cc1sc(CN)c2N)C	EMOLS-id_330873925,MCULE-8107750584	183.274	AQCGFOZWPFIJGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010678
c12CN(Cc1sc(N)c2CN)C	MCULE-4382272741,EMOLS-id_331063592	183.274	KPVUIOIZAXCMGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010679
c12CN(Cc1sc(N)n2)CCC	MCULE-8730660607,PC-id_82194355	183.274	BOKZKGQJDFUVIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010680
c12CSCc1nn(C)c2CNC	PC-id_112711769,MCULE-6552582855,EMOLS-id_324397405	183.274	UKJVHRMCJWRPOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010681
c12SCCn1cc(CC(C)N)n2	MCULE-7808841688	183.274	YWSRJIFALDCYBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010682
c1(CNC)c2CNCc2sc1N	MCULE-2508956862,EMOLS-id_331066412	183.274	VHZABWLSRYXLIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010683
CCC1CCc2c1nc(s2)NN	EMOLS-id_50809039,PC-id_116176959	183.274	PVMHSDWDCMPFNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010684
CC(c1n[nH]c2c1CN(C2)C)S	SCHEMBL20053813,PC-id_134420846	183.274	FJHCIXWBTAKDJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010685
CCN1CCn2c1cc(n2)SC	SCHEMBL19441908	183.274	RZKYSIKPUNNWKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010686
CCn1nc2c(c1CN)CSC2	PC-id_105440803	183.274	VCTPZIFCJBIFKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010687
C/N=c/1snc2n1CC(C2)(C)C	SCHEMBL14191479,PC-id_59932016	183.274	XRTUEDQYQRZSOD-CLFYSBASSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010688
C/N=c
/snc2n1CC(C2)(C)C	SCHEMBL20356736	183.274	XRTUEDQYQRZSOD-VQHVLOKHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010689
CNCC1CCc2c1nc(s2)N	PC-id_83876316,EMOLS-id_96310393	183.274	FKRHGAKOZNIQCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010690
CN(Nc1sc2c(n1)CCC2)C	EMOLS-id_114475367	183.274	BWDWASUBGPZZDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010691
Nc1sc2c(n1)C(N(C2)C)(C)C	PC-id_57804650,SCHEMBL3303651	183.274	ROSFFQBYSRBNOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010692
NCc1nn(c2c1CSC2)CC	PC-id_105440798	183.274	ZRKBFRLVWLSWPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010693
NCCCN1Cc2c(C1)ncs2	SCHEMBL19570391	183.274	UVQNAEDWNWYCKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010694
NCCNc1sc2c(n1)CCC2	EMOLS-id_96997119,PC-id_83828676	183.274	PHPWLZZWPFFLBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010695
NNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42569943,PC-id_79857256	183.274	HQFDYADLJHFKDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010696
s1c2CCC(c2nc1N)CCN	PC-id_83876317	183.274	LHOPFMRGWOEBQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010697
s1c2C(CCc2nc1N)CCN	PC-id_83876320	183.274	AUFANUFXHMVMCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010698
s1c2C(CCc2nc1N)CNC	PC-id_83876319	183.274	BIGGCTFFZWXSIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010699
S1c2n(CC1)c(CCNC)cn2	PC-id_82601800	183.274	BOSPIZRKZSKFNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010700
S1c2n(CC1)cc(n2)CCCN	PC-id_82655188	183.274	HTGUAHKJGJZZGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010701
S1c2n(CC1)c(c(n2)C)CNC	PC-id_82601798	183.274	LWMVLHGNLOKAQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010702
S1c2n(CC1)cc(n2)CCNC	PC-id_82655181	183.274	LQYZAJVBJUZOJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010703
S1c2n(CC1)cc(n2)C(CN)C	PC-id_82655190	183.274	RSBHEHURSKZJCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010704
S1c2n(CC1)c(c(n2)CCN)C	PC-id_83876329	183.274	WYQAYDHCVYMRBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010705
S1c2n(CC1)c(c(n2)CNC)C	PC-id_83876328	183.274	KMSYSZUPSFHNDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010706
S1c2n(c(CCCN)cn2)CC1	PC-id_82601801	183.274	NJMPLKIBHQHANQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010707
S1c2n(c(C(CN)C)cn2)CC1	PC-id_82601802	183.274	YXRXRHYSNMVAFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010708
S1c2n(c(CC(N)C)cn2)CC1	PC-id_83876327	183.274	BDSRDGVAVNDSRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010709
S1c2n(c(CCN)c(n2)C)CC1	PC-id_82406968	183.274	FMWCANCDQPNJKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010710
S1c2n(c(C(N)CC)cn2)CC1	PC-id_82406983	183.274	FDZIZNWGNNVUIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010711
S1c2n(c(C(N)(C)C)cn2)CC1	PC-id_82601803	183.274	UCALMPRLPFCRPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010712
S1c2n(c(C(N)C)c(n2)C)CC1	PC-id_82601799	183.274	JPKGMXRJRDWCEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010713
S1c2n(CC(N)C)cnc2CC1	PC-id_82406976	183.274	FTVNACRRCMFUPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010714
S1c2n(nc(CCCN)c2)CC1	PC-id_82655189	183.274	AEGKDSILNZJRSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010715
S1c2n(nc(CCNC)c2)CC1	PC-id_82655182	183.274	HFUMPODHTGLJRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010716
S1c2n(nc(C(CN)C)c2)CC1	PC-id_82655191	183.274	XOZKIXBGWFSOGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010717
S1Cc2c(n(nc2C1)C)CCN	PC-id_83871474	183.274	FIIHQJJTNXMVNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010718
S1Cc2c(n(nc2CCN)C)C1	PC-id_83871361	183.274	GQPITURAJBFUGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010719
S1Cc2c(n(nc2CNC)C)C1	PC-id_83871363	183.274	AOXTYQICVUBQHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010720
S1Cc2c(nn(C(C)C)c2N)C1	PC-id_59050134	183.274	RHUWMNNNLOMLLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010721
S1Cc2n(C(CN)C)cnc2C1	PC-id_82406977	183.274	PNARUJFNFWUHQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010722
S1Cc2n(nc(N)c2C1)C(C)C	PC-id_83871349	183.274	JLBUYBVHQFAOCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010723
NC(=S)c1cc2CCCc2s1	EMOLS-id_313873990,MCULE-9520873203	183.294	COZRQJZVRRVDIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010724
S1c2c(scc2)N(CC)C1=C	PC-id_71394107	183.294	IQUOKBVLJLCBLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010725
ClC1c2n(C(=O)C1)c(cc2)C=O	PC-id_10749977	183.592	DSMFGFPZVUPFEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010726
Clc1c(n2c(CCC2=O)c1)C=O	PC-id_85547156	183.592	GVKZHIKCDVJVQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010727
CC1Cc2c(C1=O)cn(c2Cl)C	PC-id_112714810	183.635	YMMVMCAKVMQODZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010728
Clc1c(n2CCCc2c1)C(=O)C	PC-id_82406862	183.635	ONSIDJPOVSROQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010729
c1(C#N)c2CCCc2sc1Cl	EMOLS-id_331062311,MCULE-1559323222	183.658	RMDOSKGUMJFRRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010730
c1(C#N)sc2CCCc2c1Cl	EMOLS-id_330870848,MCULE-9272994615	183.658	QIZLCTGRTSIINP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010731
CN1C(=CC2=C1SCN2)C(=O)O	PC-id_155106752	184.031	LXLMNZVAWMFLNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010732
COC(=O)C1=C2CSCN2C=N1	PC-id_153754743	184.031	ARLVUWNBVDPOMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010733
CC1=C2C(=C(S1)C)OC(O2)(C)C	PC-id_163871710	184.056	PLJNXIBTJBZFAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010734
CC1(C(Cc2nn(cc12)[AlH2])F)O	PC-id_164087205	184.059	XCXBRCOZFIZYOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010735
CC1(CCN2C1=C(C(=N2)[NH-])Cl)C	PC-id_161659192	184.065	XATVGXIYZQYONV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010736
CCNC1=NC2=C(S1)CN(C2)N	PC-id_163666332	184.078	IYUILCKHTZIBRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010737
CC1(CC(C2=CC(=NN21)CO)F)C	PC-id_162349477,EMOLS-id_337163476	184.101	FOKAHBAXJKPPSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010738
O1c2n(CC1)c(nc2)C(O)C(=O)O	PC-id_82406849	184.149	XMLBKXDSPGZKJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010739
O1c2n(c(=O)[nH]c2CC1)CC(=O)O	PC-id_82406848	184.149	AWIYJTDLWMGDOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010740
O1C(Cn2nc(cc12)C(=O)O)CO	PC-id_84039169	184.149	VQOOIKYCTJFIBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010741
o1[nH]c2CN(Cc2c1=O)C(=O)OC	PC-id_83846879	184.149	FHDAUMYGVWXDDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010742
o1[nH]c(=O)c2c1C(NC2)C(=O)OC	PC-id_84039170	184.149	YMONGUASRXVAAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010743
OC(=O)Cn1[nH]c2c(c1=O)COC2	PC-id_105440932	184.149	YEZIEWBSRPPQLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010744
COc1nn2C[C@@H](Nc2n1)C(=O)O	PC-id_137194841	184.153	SXKXIPQJZBWQDP-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010745
COc1nn2C[C@H](Nc2n1)C(=O)O	PC-id_137216441	184.153	SXKXIPQJZBWQDP-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-010746
COc1nn2CC(Nc2n1)C(=O)O	PC-id_135750172	184.153	SXKXIPQJZBWQDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010747
NC(=O)Cn1nc(c2c1OCO2)N	PC-id_96627168	184.153	KXJFOYOJAUCPLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010748
O1C(Cn2c1c(nc2)[N+](=O)[O-])CN	PC-id_84039171	184.153	NRDMCMWSNDATCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010749
O1C(Cn2c1nc([N+](=O)[O-])c2)CN	PC-id_84039172	184.153	NICBECUCLUSHOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010750
O1CCn2c(nnc12)C(N)C(=O)O	PC-id_82601875	184.153	VEKPTFGKBJDKEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010751
OC1=C(O)n2n(C1)c(N)c(c2=O)N	PC-id_141425362	184.153	CTZRUOHTYBNIPU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010752
c1c2c(c([nH]1)NC#N)C=NC2=NC#N	PC-id_136458416	184.158	FLBGIXRKLCPSJL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010753
FC1(CCc2occc12)CC(=O)O	PC-id_83817316	184.164	IZOJDHYHHCBMKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010754
c12COCc1nn(CCF)c2C=O	EMOLS-id_324399704,MCULE-3138424086	184.168	FZVWUABVOKJBFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010755
OC(=O)c1c(CF)nn2CCCc12	EMOLS-id_337770791	184.168	PLHBUGVBQFYLSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010756
OC(=O)C(C1CCn2c1ncc2)F	EMOLS-id_96930397	184.168	NQDQJEGOHIHPLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010757
OC(=O)C(F)c1cnc2CCCn12	MCULE-1302109886,EMOLS-id_259660163	184.168	GLPHJMHEQZNWAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010758
c12C(=O)C(O)Oc1c(sc2)C=O	MCULE-8265801472,PC-id_82601885	184.169	PSCCPYDJLMYAAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010759
C1C(=O)c2c(S1)c(c(o2)C=O)O	PC-id_136312995	184.169	LKYBCSABKGXQKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010760
O=C1c2cscc2C(=O)C1(O)O	NSC709151,CoCoCo_5775673,PC-id_398917	184.169	YFCNVDPRLIUAJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010761
OC(=O)c1cc2c(s1)C(=O)CO2	PC-id_112545321	184.169	RBVZIGWEPMFHDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010762
OC(=O)c1scc2c1C(=O)CO2	PC-id_112545319	184.169	LJHSUDIGUJXBGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010763
OC(=O)c1scc2c1OCC2=O	PC-id_112545320	184.169	ULRWCAVIYVJXMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010764
s1c2c(C(=O)C(O)(O)C2=O)cc1	PC-id_10910210	184.169	XJRHPTTYQSPHKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010765
s1c2c(OC(O)C2=O)cc1C=O	PC-id_82601886	184.169	APLQGNUIZDBXIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010766
s1c2OCC(=O)c2cc1C(=O)O	PC-id_84014121	184.169	IWXQQNHXKAHDJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010767
s1c2OC(O)C(=O)c2cc1C=O	PC-id_82601887	184.169	RBJCQFPVHOTFRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010768
s1c(c2c(OC(O)C2=O)c1)C=O	PC-id_82601884	184.169	JAAUZVZKCUHSKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010769
CO[N+](=O)c1cn2c(n1)OC(C2)C	PC-id_143043510	184.173	MVGLVHPXNXMEBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010770
CO[N+](=O)c1cn2c(n1)O[C@@H](C2)C	PC-id_143043446	184.173	MVGLVHPXNXMEBA-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010771
OC(=O)c1nsc2c1NCC2=O	PC-id_96627167	184.173	MPGUREPQQZELQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010772
[O-][N+](=O)c1cn2c([nH+]1)O[C@H](C2)CC	GD-id_ZINC00005609	184.173	AEKVVFWCBKEYSC-YFKPBYRVSA-O	00000010100000000001000010000000000000000000000000000000	25-01-010773
[O-][N+](=O)c1cn2c([nH+]1)O[C@@H](C2)CC	GD-id_ZINC01996093	184.173	AEKVVFWCBKEYSC-RXMQYKEDSA-O	00000010100000000001000010000000000000000000000000000000	25-01-010774
S1c2n(C(=O)C1)c(cn2)C(=O)O	PC-id_84048506	184.173	GNGQKRDEZFXYAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010775
s1nc(c2NC(=O)Cc12)C(=O)O	PC-id_82406833	184.173	SGSPRNZNONKPKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010776
S1(=O)(=O)CCn2nc(nc12)C#N	PC-id_82655265	184.176	JENIXBNWJNNTQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010777
PN1Cc2c(C1(C)C)[nH]nc2N	PC-id_139428206,SCHEMBL21288220	184.179	FWWGXQSPZBPTNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010778
OCCC1c2cocc2C(O)C1O	PC-id_14413759,CNP0157043	184.189	RMJMFPNPBUGUMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010779
OCC[C@@H]1c2cocc2[C@H]([C@H]1O)O	NP_50706,NP_39673,PC-id_5318702,UNPD47442	184.189	RMJMFPNPBUGUMP-HFHMMWAZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010780
OCC[C@H]1c2cocc2[C@@H]([C@@H]1O)O	NP_64291,UNPD175082	184.189	RMJMFPNPBUGUMP-NGESMGFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010781
s1c2c(C(O)C(=C2[2H])[N+](=O)[O-])cc1	PC-id_13897090	184.191	ZEUVRYSLALDIGB-WFVSFCRTSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010782
O1C(c2[n+](onc2C1(C)C)[O-])(C)C	PC-id_9815437,SCHEMBL9306427	184.192	CDWILTBXBPTFCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010783
OC1C(n2c(C1CO)cnc2)CO	PC-id_85361068	184.192	WDOKPCAZQDCNLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010784
OCCCn1[nH]c2c(c1=O)COC2	PC-id_105441012	184.192	RCGYYJDTQOWBJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010785
O[C@@H]1[C@H](n2c([C@H]1CO)cnc2)CO	PC-id_10997714	184.192	WDOKPCAZQDCNLE-NJUXHZRNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010786
CC(C(c1nn2c(n1)OCC2)O)N	PC-id_112489075	184.196	XFMAZBOMORCUDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010787
N#CC(=C1CC(n2c1ncc2)C)C#N	EMOLS-id_114478843	184.197	UDWDKPJRPCRLJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010788
c12C(C)CCc1n(nc2O)CCF	MCULE-8776221998,EMOLS-id_330959866	184.211	WWCIFZHMYSFSNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010789
c12C(C)CCc1nn(CCF)c2O	EMOLS-id_331007405,MCULE-3173846698	184.211	MGLGWMWUACTHEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010790
n1(CCF)c(CO)c2c(CCC2)n1	EMOLS-id_324387934,MCULE-2725478471	184.211	WROMZBLKDONMEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010791
OCc1nn(c2c1C(C)(F)CC2)C	PC-id_105441106	184.211	ATBKKYFQQAJBHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010792
OCc1nn(c2c1C(F)CC2)CC	PC-id_105441105	184.211	YIEPIEZGIXQYIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010793
c1(C=O)c2COCc2sc1OC	EMOLS-id_331060270,MCULE-6783825001	184.212	SWZCGLGLPZLCLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010794
c1(C(=O)OC)csc2COCc12	MCULE-2624070906,EMOLS-id_331060781	184.212	XMOKAXQDZAPXDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010795
COC(=O)c1cc2COCc2s1	PC-id_165431182,EMOLS-id_337930201	184.212	BOIQPEYNNARBKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010796
COC(=O)c1scc2c1OCC2	PC-id_141738845	184.212	VAGFDNBQNVQLQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010797
OC(=O)c1csc2c1C(C)OC2	EMOLS-id_96535372,PC-id_114748345	184.212	UHFXXXIMBLLLKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010798
OC(=O)Cc1cc2c(s1)OCC2	PC-id_96627097	184.212	OKFQSTMTMBWRHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010799
OC(=O)Cc1scc2c1CCO2	PC-id_98011866	184.212	YLZCWKHXSDIAKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010800
OC(=O)OC1CCc2c1scc2	SCHEMBL10653704,PC-id_70413771	184.212	FLXAQCSFOBKXMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010801
OC(=O)Oc1sc2c(c1)CCC2	PC-id_118071916,SCHEMBL16712269	184.212	QVNRRAYPKGZLFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010802
S1c2c(CC1)c(oc2C(=O)O)C	PC-id_13595311	184.212	BGDYZRLENFFOKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010803
s1c2CCCc2c(O)c1C(=O)O	PC-id_54699162	184.212	LJXJBHWUDXXUFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010804
s1c2CCC(O)c2cc1C(=O)O	PC-id_83679204	184.212	MPWTWLSZSSGWAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010805
s1c2CCC(O)(c2cc1)C(=O)O	PC-id_83906832	184.212	HPKKVKDCKCKSBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010806
s1c2C(O)CCc2cc1C(=O)O	PC-id_82601941	184.212	DJGFOHZACITTSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010807
s1c2C(O)(CCc2cc1)C(=O)O	PC-id_83906830	184.212	CKWYQNLSKJWITI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010808
S1Cc2c(oc(c2)CC(=O)O)C1	PC-id_84769403	184.212	YOYAFAYZNJXFDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010809
S1Cc2c(occ2C(=O)OC)C1	PC-id_11830091	184.212	IFPHFYVZQCFXBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010810
S1Cc2c(oc(c2C(=O)O)C)C1	PC-id_84769402	184.212	OLHXAJNSENLGKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010811
s1cc2C(O)(CCc2c1)C(=O)O	PC-id_83906831	184.212	QGKKWFBDVQOTTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010812
c12CNCc1nn(CCF)c2CN	EMOLS-id_324349037,MCULE-7913018985	184.214	HWOWYWDYNACEMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010813
c12c(CCC1C(=O)O)sc(N)n2	PC-id_45496559,EMOLS-id_27514321,MCULE-5899109000	184.216	KFYXOFMSRBYDBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010814
c12sc(nc1CCC2C(=O)O)N	MCULE-9510663178,PC-id_83876396,EMOLS-id_316755239	184.216	PFGSDSBXYYXQEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010815
C1Cc2c(C1)sc(n2)NC(=O)O	PC-id_89052113,SCHEMBL13278295	184.216	SDSBTALDWBSWND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010816
C1C=Cc2c1[nH]cc2S(=O)(=O)N	PC-id_91262142	184.216	WOPMYOHSNKTFHL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010817
c1(C(=O)N)c2COCc2sc1N	EMOLS-id_331060783,MCULE-4531707493	184.216	ZBQCREBSVZSWKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010818
c1(C(=O)O)c2CNCc2sc1N	MCULE-1148203511,EMOLS-id_331063852	184.216	WDRGKBBXKVJTDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010819
c1(C(=O)O)c2CSCc2nn1C	MCULE-5526145772,PC-id_83871472,EMOLS-id_317871094	184.216	USTMRLNAHKNTGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010820
c1(csc2CN(C)Cc12)N(=O)=O	MCULE-1692880417,EMOLS-id_330873160	184.216	CDWWRXGCIRTBOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010821
C1n2cccc2C(S1)C(=O)NO	SCHEMBL9277417,PC-id_88438269	184.216	NEQBFKADGLSNQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010822
CC1(c2c(C(=O)O1)nc(s2)N)C	PC-id_87518986,SCHEMBL3384810	184.216	NWEYCKGHFZYUMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010823
Cc1nc2c(s1)NCC2C(=O)O	PC-id_112489073	184.216	NTUUNEBPYHYHRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010824
Cc1nc2SCCn2c1C(=O)O	LI_185205,PC-id_329982,NSC315243,CoCoCo_5595442	184.216	KCXOWYFZAIMWRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010825
CC1SCc2c1n[nH]c2C(=O)O	CHEMBL395176,PC-id_44441324	184.216	MMEYKOHMDHZQSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010826
CN1Cc2c(C1)nc(s2)C(=O)O	PC-id_18442833,SCHEMBL12035771	184.216	VJXGJZMANVGEOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010827
COC(=O)c1nc2CNCc2s1	EMOLS-id_323996847	184.216	ZGKXWCOTMSVGRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010828
Nc1nc2[C@@H](CCc2s1)C(=O)O	PC-id_33679595,ZINC22_26423633,EMOLS-id_337397851,CoCoCo_5091354	184.216	KFYXOFMSRBYDBP-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010829
Nc1nc2c(s1)CC[C@@H]2C(=O)O	CoCoCo_5091355,PC-id_33679591,ZINC22_26423630	184.216	KFYXOFMSRBYDBP-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-010830
Nc1nc2c(s1)C[C@@H](C(=O)O)C2	PC-id_99996043,ZINC22_217900543	184.216	HHFSQBHNNCVYHE-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-010831
Nc1nc2c(s1)C[C@H](C(=O)O)C2	ZINC22_217900457,PC-id_99996041	184.216	HHFSQBHNNCVYHE-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010832
Nc1sc2c(n1)CC(C2)C(=O)O	PC-id_102568742	184.216	HHFSQBHNNCVYHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010833
O=c1[nH]c2c(s1)CC(C2)C(=O)N	PC-id_144972992	184.216	SIRLNIJIQISXTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010834
OC(=O)Cc1c2CCSc2n[nH]1	PC-id_96747125	184.216	DUEPPWKPJNZWNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010835
s1c2c(CCC2)c([N+](=O)[O-])c1N	PC-id_83679198	184.216	XOWXRASDTDAZCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010836
s1c2c(nc1C)C(NC2)C(=O)O	PC-id_82406689	184.216	CKIXJKNPPWUCHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010837
S1c2c([nH]nc2CC(=O)O)CC1	PC-id_82406674	184.216	WWSUYUWGEWCOBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010838
S1c2c(n(nc2)CC(=O)O)CC1	PC-id_66523838	184.216	IQGNRLFFXOQQKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010839
s1c2[n+](CCN2)c(CC(=O)[O-])c1	TIMTEC276874,ZINC22_100020326,MCULE-9887375858,EMOLS-id_2722968,PC-id_52365298,CoCoCo_585285	184.216	KYLGVTXSFSDBGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010840
S1c2n(c(=O)[nH]c2CC1)CC=O	PC-id_82406684	184.216	HSCXWVXWHDJNAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010841
S1c2n(nc(c2)CC(=O)O)CC1	PC-id_82655292	184.216	AXSUDTCYYHQHJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010842
S1Cc2c([nH]nc2CC(=O)O)C1	PC-id_83871366	184.216	VHBWHDYHESPSFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010843
S1Cc2c(noc2NC(=O)C)C1	PC-id_45505355	184.216	BUEBOXRWBHNSOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010844
S1Cc2n(CC(=O)O)cnc2C1	PC-id_82406686	184.216	OUIVGLGSHHPYRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010845
S1Cc2n(c(=O)[nH]c2C1)CC=O	PC-id_82406685	184.216	MNVDFMAQNUCGIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010846
S1Cc2n(nc(c2C1)C(=O)O)C	PC-id_83871359	184.216	FRIHXCSIOAYEPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010847
S1CCn2c1nc(c2)CC(=O)O	PC-id_82406693	184.216	KFWGAPHPAWTRGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010848
S1CCn2c(CC(=O)O)cnc12	PC-id_82406682	184.216	MKJRKMTWKPZPSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010849
S1CCn2c(c(nc12)C(=O)O)C	PC-id_83876401	184.216	UEVBSLWLWPLHDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010850
s1nnc2C(CCc12)CC(=O)O	PC-id_83876398	184.216	YFLORMNMZGQAGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010851
s1nnc2CCC(c12)CC(=O)O	PC-id_83876399	184.216	KFJXCZRYUSYEGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010852
S=c1n(c2c([nH]1)COC2)CC=O	PC-id_82406687	184.216	RCIRDOALIWOLFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010853
c1(NC(=O)C)nnc2SCCn12	ChEMBL-DNDi_CHEMBLF2079-0001,CoCoCo_2590447,PC-id_16031304,EMOLS-id_22378692,ZINC22_8600485,MCULE-2394122651	184.219	KSBBJKNYPGSRAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010854
CC1(C(=NO)n2cnnc2S1)C	PC-id_88712273	184.219	WTUNLPXSQLUSMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010855
CC1C(=O)Nc2nc(nn12)SC	PC-id_135747199	184.219	IOZVBQYHHSMZJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010856
O/N=C
/n2cnnc2SC1(C)C	SCHEMBL11038597	184.219	WTUNLPXSQLUSMR-RUDMXATFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010857
S1CCn2c1ncc2C(=NO)N	PC-id_83876402	184.219	VMGYZJLLFNBXSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010858
S1CCn2c1nc(c2)C(=NO)N	PC-id_83876403	184.219	LWRPZZKVRHYQCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010859
S1CCn2c1nnc2C(=O)CN	PC-id_82601952	184.219	ATDLRMOJJFEIBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010860
S1C(C(n2c1nnc2)N=O)(C)C	PC-id_53704923	184.219	BWMLVWJOXVAPHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010861
S1CCn2nc(nc12)C(=O)CN	PC-id_82601951	184.219	QVRIACKUCQXRLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010862
c12C(=O)CSc1csc2C=O	MCULE-4204885017,PC-id_82406667	184.235	RXIKQOMXJCMVSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010863
c12C(=O)CSc1sc(C=O)c2	PC-id_82406666,MCULE-2040240282	184.235	IBEJGVZETRLYJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010864
c1csc2c1SC(=CO)C2=O	PC-id_88063907	184.235	FVUKKVKZPYOFDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010865
S1c2c(C(=O)C1)csc2C=O	PC-id_82406668	184.235	WGOBOXAJDAZSIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010866
s1c2=CC(=O)Sc2c/c/1=C/O	PC-id_22294474	184.235	KPADJAINYDKMQR-ARJAWSKDSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010867
s1c2=CC(=O)Sc2cc1=CO	PC-id_73880414	184.235	KPADJAINYDKMQR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010868
S1c2c(sc(c2)C=O)C(=O)C1	PC-id_82406669	184.235	YNLCTYRRPRMYNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010869
c1(CO)c2CCCc2sc1OC	EMOLS-id_331060006,MCULE-7412851023	184.255	HJSAAWZIYUVOQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010870
OCC1(CO)Cc2c(C1)csc2	PC-id_59850438,SCHEMBL13799481	184.255	PJBAFGBMFHNLHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010871
OCC(O)c1cc2CCCc2s1	MCULE-9617024318,EMOLS-id_313790670	184.255	WCEDFNOOFZFAIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010872
s1c2[C@](O)([C@@](O)(Cc2cc1)C)C	PC-id_11735562	184.255	VAWYYEUKZNSGAI-IUCAKERBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010873
s1c2C(O)(C(O)(Cc2cc1)C)C	PC-id_73079831	184.255	VAWYYEUKZNSGAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010874
c12CN(Cc1sc(CO)c2N)C	EMOLS-id_330873669,MCULE-3081606677	184.259	TZWQMCRWBGFOJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010875
c12CN(Cc1sc(N)c2CO)C	EMOLS-id_331063336,MCULE-3739261064	184.259	AANPALLSFRLZJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010876
c1(CN)c2CNCc2sc1OC	MCULE-6481786646,EMOLS-id_331066155	184.259	BPYZJMXQPKFPKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010877
c1(CNC)c2COCc2sc1N	EMOLS-id_331061039,MCULE-6816425746	184.259	HGSFYSLYRAWOJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010878
CCCn1nc2c(c1O)CSC2	EMOLS-id_107590168	184.259	OUHGUIOERQJULJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010879
CC(n1nc2c(c1O)CSC2)C	EMOLS-id_114480712	184.259	SCWZFMSUNIQZNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010880
CC(n1[nH]c(=O)c2c1CSC2)C	PC-id_105441305	184.259	PAXCGSIKUYOQOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010881
CNc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96828064	184.259	ZYTPRPMMZGUBTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010882
CNCC1CCc2c1nc(s2)O	EMOLS-id_96529961,PC-id_83876433	184.259	WTCVANQASGGSCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010883
COCn1c(=N)sc2c1CCC2	EMOLS-id_114480802	184.259	MRNXNPMZDDAAOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010884
NCC1CCc2c1nc(s2)CO	EMOLS-id_96529922	184.259	AHGBZDIVIAYYGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010885
NCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96827864	184.259	UINUIBTWLNWPFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010886
NCC(c1sc2c(n1)CCC2)O	PC-id_84732657,EMOLS-id_313713262	184.259	TWMFQZDSAODTKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010887
OCC(c1sc2c(n1)CCC2)N	EMOLS-id_313584380	184.259	XOERCXDNKIAHBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010888
OCCn1c(=N)sc2c1CCC2	EMOLS-id_107213156	184.259	CSOWZCYASHXHDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010889
OCCn1nc(c2c1CSC2)C	PC-id_59540020,SCHEMBL8270934	184.259	IFFPZBNUGCQOBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010890
OCCSc1[nH]c2c(n1)CCC2	EMOLS-id_194614867	184.259	RWSXZCPAXUIBFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010891
s1c2CCCc2nc1[C@H](N)CO	PC-id_82669083	184.259	XOERCXDNKIAHBW-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010892
s1c2CCCc2nc1[C@@H](O)CN	PC-id_82669084	184.259	TWMFQZDSAODTKY-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-010893
s1c2C(CCc2[nH]c1=O)CCN	PC-id_83876437	184.259	ZCHYROYMFRGQSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010894
s1c2C(CCc2[nH]c1=O)CNC	PC-id_83876436	184.259	IUSLLSIGIIERCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010895
s1c2CCOc2nc1CCCN	PC-id_83669671	184.259	MIZYANDOVDARSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010896
s1c2CCOc2nc1CC(N)C	PC-id_83669670	184.259	SKJYZHOUIJUCEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010897
s1c2c(n(CCN)c1=O)CCC2	PC-id_82504138	184.259	JVGZLIVUKAAELY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010898
s1c2c([nH]c1=O)C(CC2)CCN	PC-id_83876434	184.259	BDDBEZFDPPZBSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010899
S1c2n(CC1)cc(n2)CC(O)C	PC-id_83675641	184.259	KNMNXSGZHJVAJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010900
S1c2n(c(CC(O)C)cn2)CC1	PC-id_83675144	184.259	REAZJZKGDHSEQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010901
S1c2n(c(CCO)c(n2)C)CC1	PC-id_83674229	184.259	JHBTVWUQGQTRIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010902
S1c2n(nc(CC(O)C)c2)CC1	PC-id_83675639	184.259	VTEIFDHZECQRPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010903
S1Cc2[nH]n(C(C)C)c(=O)c2C1	PC-id_12766048	184.259	IUAMIXMMMFQIIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010904
S1Cc2[nH]n(CCC)c(=O)c2C1	PC-id_83196255	184.259	DFSXSBMROAJOLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010905
s1nnc2C(OC(c12)(C)C)(C)C	PC-id_13816538	184.259	ZZVXKHGJRPOFHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010906
S1(=O)c2c(nn(C(C)C)c2)CC1	PC-id_59050165	184.259	SPLQXEPHAFIGDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010907
S1(=O)Cc2c(nn(C(C)C)c2)C1	PC-id_59050139	184.259	PRLISYLQIRKEEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010908
CC(c1nnc2n1CCS2)(N)C	PC-id_96747296	184.262	ILLLHTCNKOFJNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010909
CCN1C(N)Sc2c1[nH]c(c2)N	SCHEMBL5036611,PC-id_69288351	184.262	BOWHITIAPZBKRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010910
CCSc1nn2C(NNc2c1)C	PC-id_136491876	184.262	URBUSBAUMUTJME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010911
S1c2n(c(C(N)CN)cn2)CC1	PC-id_82406503	184.262	YEOBMNLQKACESE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010912
S1c2n(nc(n2)C(CN)C)CC1	PC-id_82601992	184.262	XWMXCMFBGFHHQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010913
S1CCn2c(nnc12)CCCN	PC-id_82601994	184.262	AATATXGRKJKENG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010914
S1CCn2c(nnc12)CCNC	PC-id_82601993	184.262	XONSYGXVUFCJAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010915
S1CCn2c(nnc12)C(CN)C	PC-id_82601995	184.262	HAFRHXZPZIJILC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010916
S1CCn2c(nnc12)C(N)CC	PC-id_82406511	184.262	IEGXULUSEUKFEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010917
S1CCn2nc(nc12)CCCN	PC-id_82601991	184.262	RCPUESOPWLCOCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010918
S1CCn2nc(nc12)CCNC	PC-id_82601990	184.262	FCMLHMNEOTUNPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010919
S1c2c(sc(c2)C(=O)C)CC1	PC-id_82406430	184.279	SJMILVVZUIXQFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010920
NC(=S)c1ccn2c1CSC2	PC-id_140342039	184.282	FRGRPZVQUZMKQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010921
Cc1csc2c1SC(C2)(C)C	SCHEMBL15417619,PC-id_89925178	184.322	XVWQFVVJXQRUHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010922
CCC1Sc2c(C1)sc(c2)C	PC-id_67522618,SCHEMBL2757054	184.322	NQJQKDKOZDXKBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010923
SCCc1cc2CCCc2s1	MCULE-6829866435,EMOLS-id_313875782	184.322	OCSCVXGZHUZTHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010924
Clc1cc2n(CCC2C(=O)[O-])c1	PC-id_20528183	184.6	NGNRMMNNHXBRSN-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-010925
ClC(=O)c1c2CCCc2oc1C	PC-id_83610190	184.62	HXYRFRQWXFDDIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010926
Clc1n2CCCc2nc1C(=O)C	PC-id_84659848	184.623	BAAYFBSPRAJWDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010927
Clc1nc2n(CCC2)c1C(=O)C	PC-id_84659849	184.623	PRRZKXJOKCAJFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010928
ClC(=O)c1n(nc2c1CCC2)C	PC-id_15135402	184.623	SOAOIFJAIPJQBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010929
c1(C#N)c2CNCc2sc1Cl	EMOLS-id_331063342,MCULE-8596182360	184.646	NZOMNMAIAQAIJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010930
ClCc1c2CCCc2oc1CC	PC-id_83610210	184.663	HKAWCIJUHHFOQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010931
c12CCCc1n(nc2Cl)CCC	MCULE-4325961290,EMOLS-id_324388176	184.666	DYVZFMUSIWJLSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010932
c12C(C)CCc1n(nc2Cl)CC	EMOLS-id_330974461,MCULE-3477422358	184.666	MEJIRFKYKKYHQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010933
c12C(C)CCc1nn(CC)c2Cl	EMOLS-id_330960830,MCULE-2094744228	184.666	MYSKYXWKBQKUJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010934
c12C(Cl)CCc1[nH]nc2CCC	EMOLS-id_50074332,PC-id_66489495,MCULE-4184966933	184.666	AVWRYKNTQFTABO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010935
c1(Cl)nc2c(CCC2)n1C(C)C	ZINC22_22126205,EMOLS-id_31520360,MCULE-1465558699,PC-id_30033061	184.666	LYQKPUMCZIRZAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010936
CC1Cc2c(C1N)cn(c2Cl)C	PC-id_112714819	184.666	BHVFFAZIDKAHRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010937
CC1CCc2c1c(CCl)nn2C	EMOLS-id_331028741,MCULE-7875223383	184.666	BLBGUCRSJMXIJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010938
CC1CCc2nn(C)c(CCl)c12	MCULE-9547535161,EMOLS-id_331014068	184.666	MHFMNZZXBPHJML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010939
CC(C1CCc2c1c[nH]c2Cl)N	PC-id_112714816	184.666	LHSGPEBCPLKLAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010940
CC(c1c(Cl)nc2n1CCC2)C	SCHEMBL19040334	184.666	KUPNRRLUDZISCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010941
CC(c1c(Cl)nn2c1CCC2)C	SCHEMBL20411228,PC-id_135251030	184.666	ZXULTKNGKVDZPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010942
CCCn1nc2c(c1Cl)CCC2	EMOLS-id_41630918,PC-id_66022015	184.666	VJAQLSWZZYLUQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010943
CC(n1nc2c(c1Cl)CCC2)C	PC-id_66023041,EMOLS-id_41630816	184.666	GDCRJIJGWOZOAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010944
CCn1nc2CCCc2c1CCl	MCULE-5797845685,PC-id_121214347,EMOLS-id_70118668	184.666	FKWLWYLJSDMVIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010945
Clc1n(cc2C(CCc12)CN)C	PC-id_83906901	184.666	QOOIIIRIYOYLAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010946
Clc1n(cc2C(NC)CCc12)C	PC-id_83906903	184.666	DXCLSDNTWXCXBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010947
Clc1[nH]cc2C(CCc12)CCN	PC-id_83906899	184.666	HJSJADOXFBJDMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010948
Clc1[nH]cc2C(CCc12)CNC	PC-id_83906900	184.666	DCNAILSEYRKGLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010949
ClCn1cc2c(n1)C(CC2)(C)C	PC-id_57712397,SCHEMBL13792264	184.666	NZAJTHTXNVRMSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010950
ClCn1ncc2c1C(CC2)(C)C	PC-id_69473180	184.666	RGVUITVBGRUADJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010951
CNC1C(C)Cc2c1c[nH]c2Cl	PC-id_112714818	184.666	WCUUYOKEMWTDSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010952
NCC1C(C)Cc2c1c[nH]c2Cl	PC-id_112714817	184.666	QELRIUMMKZPGJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010953
CC1=C2C=NC(=O)C2=C(S1)Cl	PC-id_161366624	184.97	VPWYQYLEQOQIQX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010954
Brc1c2c(oc1)CC=C2	SCHEMBL2973353,PC-id_68462504	185.018	PLNOZSDOQTXNQR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010955
Brc1cc2c(o1)CC=C2	SCHEMBL2960717,PC-id_68458027	185.018	PSIBMGIVRFXKIQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-010956
C1C=CC2=NC=C(N21)S(=O)(=O)N	PC-id_154304709	185.026	TXHDAOSLQVMJEJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010957
C1=CN2C(C=NC2=C1)S(=O)(=O)N	PC-id_154323876	185.026	KJMUQKJCRGMZMA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010958
CC(C1=NC2=C(S1)CCC2)S	PC-id_148199715	185.033	KHWCIVOZXUMOPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010959
C[C@@H]1C(C2=C(S1)N=C(S2)C)C	PC-id_149497379	185.033	ZGHRDMDGZYETOB-BRJRFNKRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010960
O=C1n2c(n[nH]c2=O)C(N1)[N+](=O)[O-]	PC-id_67697699,SCHEMBL8807953	185.098	LFIOOGGGZPMJRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010961
C/C=c
/c2=CCC=c2n(/c1=C/C=C)C	PC-id_164144851	185.12	YZLQFVLMBYXRJQ-KVPZAXMQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010962
[O-][N+](=O)c1nn(c2c1NN[N+]2=O)C	PC-id_102442845	185.121	YBPVBSXQJGNFPR-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-010963
o1c2c(nc1CO)C(O)C(=C2O)O	SCHEMBL4356574,PC-id_69014619	185.134	DARWKQVQSIFTHG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010964
O1CCn2c(nnc12)C(O)C(=O)O	PC-id_82406344	185.137	OHBPDIZABJZTEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010965
O1CCn2nc(nc12)C(O)C(=O)O	PC-id_82406345	185.137	ZSLJITCZDCNUDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010966
O1C(CO)Cn2cc(N(=O)=O)nc12	EMOLS-id_316171874,PC-id_12570031,MCULE-5138064275,SCHEMBL1229247,CHEMBL155533	185.137	DZVRQBCYAQDGSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010967
Fc1c2CC[C@@H](O)c2[nH]c1C(=O)O	SCHEMBL12777412,PC-id_57659831	185.152	CHJVMDNEYVZBRD-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010968
Fc1c2CCC(O)c2[nH]c1C(=O)O	PC-id_70287414,SCHEMBL8145095	185.152	CHJVMDNEYVZBRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010969
Fc1c2C[C@@H](O)Cc2[nH]c1C(=O)O	SCHEMBL12777400,PC-id_57659884	185.152	HAYFQCRMJOKBPU-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010970
Fc1c2CC(O)Cc2[nH]c1C(=O)O	SCHEMBL8153489,PC-id_70289697	185.152	HAYFQCRMJOKBPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010971
Fc1c2[C@@H](O)CCc2[nH]c1C(=O)O	SCHEMBL12777403,PC-id_59180102	185.152	QMZJLKALBOIGEG-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010972
Fc1c2C(O)CCc2[nH]c1C(=O)O	PC-id_57659826,SCHEMBL8153438	185.152	QMZJLKALBOIGEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010973
n12C(CCc1nnc2CF)C(=O)O	EMOLS-id_42804372,MCULE-6287154896,PC-id_102534212	185.156	GCDZSRDKIUFVIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010974
O=C(O)[C@H]1CCc2nnc(CF)n12	ZINC22_62709425	185.156	GCDZSRDKIUFVIF-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010975
O=C(O)[C@@H]1CCc2nnc(CF)n12	ZINC22_62709429	185.156	GCDZSRDKIUFVIF-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010976
O=Cc1cc2c([nH]1)C(C(C2)C)(F)F	PC-id_144126381	185.171	SCCDXNCXDXXUAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010977
O=Cc1cc2c([nH]1)C(CC2C)(F)F	PC-id_144126416	185.171	NHOMFTZTAQSHIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010978
c1(C(=O)O)c2COCc2sc1N	MCULE-9025004385,EMOLS-id_331062574	185.2	KJGLTWFTOLPFMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010979
CC(=O)c1sc(c2c1OCO2)N	PC-id_96626717	185.2	LSDWBXGYLGPDJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010980
CNC(=O)c1scc2c1OCO2	SCHEMBL6442371,PC-id_69782262	185.2	GCTZPJHVQYMKLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010981
COC(=O)c1nsc2c1COC2	SCHEMBL16418548,PC-id_117836092	185.2	DNAPEUMFUXURRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010982
O=Cc1[nH]cc2c1CCS2(=O)=O	ZINC22_84324754,EMOLS-id_316800620,MCULE-7218702441	185.2	AKARZZVZMYWKSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-010983
s1c2CCC(c2[nH]c1=O)C(=O)O	PC-id_83668325	185.2	HRXTVIGMZYSHTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010984
s1c2C(CCc2[nH]c1=O)C(=O)O	PC-id_83876522	185.2	OXRMVVCKOCBOTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010985
S1Cc2c(noc2CC(=O)O)C1	PC-id_83871463	185.2	DKJSSXBORPBVQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010986
S1Cc2c(onc2CC(=O)O)C1	PC-id_82406244	185.2	ICDOQTMJDKLFKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010987
S1(=O)Cc2c(onc2C(=O)C)C1	PC-id_83482983	185.2	ADECPGARKVJPSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010988
C1c2c(CN1C(=O)O)sc(n2)N	SCHEMBL765407,PC-id_87152838	185.204	QTZPMWDVWAHVGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010989
CC1=NS(=O)(=O)c2c1n(C)nc2	PC-id_70333873,SCHEMBL8285756	185.204	YNJLVYOWXHSBQR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010990
CS(=O)(=O)n1cc2c(n1)CN=C2	SCHEMBL18920797	185.204	KDTPJDPFBWLYPL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010991
n12C(=O)CSc1nc(COC)n2	PC-id_82357974,MCULE-7964197318	185.204	HGCNZPNUULYRSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010992
n12ncnc1SC(CCO)C2=O	PC-id_50741522,MCULE-6857802345,EMOLS-id_31520962	185.204	AQOYNXNSYRAFGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010993
NS(=O)(=O)c1cnc2n1C=CC2	PC-id_143698907	185.204	OLORNKODFNJHEU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-010994
OCC[C@@H]1Sc2n(C1=O)ncn2	PC-id_94217977	185.204	AQOYNXNSYRAFGD-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010995
OCC[C@H]1Sc2n(C1=O)ncn2	PC-id_94217978	185.204	AQOYNXNSYRAFGD-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010996
OC(=O)c1c(N)nc2n1CCS2	PC-id_19017735,SCHEMBL9296408	185.204	DFECJQHOQFCICK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010997
S1c2n(CC1)c(nc2[N+](=O)[O-])C	PC-id_13781768	185.204	IAJYJCSKHJVEIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010998
S1CCn2c1nc(c2N)C(=O)O	PC-id_83681566	185.204	VNNFQVJVRIWPOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-010999
S1CCn2c1nc(c2[N+](=O)[O-])C	PC-id_86121033	185.204	VDJRIROFCGVAOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011000
S1CCn2c(nnc12)CC(=O)O	PC-id_82602127	185.204	PNYMGDHWSKHWBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011001
S1CCn2nc(nc12)CC(=O)O	PC-id_82406241	185.204	OELYXJOKGGGWDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011002
S1(=O)c2n(C(=O)C1)c(nc2N)C	PC-id_86191739	185.204	KOFGGEZVFCKJOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011003
S1(=O)c2n(nc(n2)CC)C(=O)C1	PC-id_86191752	185.204	VVDFNQISLIUNQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011004
NC(=O)C1Sc2c(N1C)n[nH]n2	PC-id_141500767	185.207	HFKJAFJSKQBXBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011005
NC(=O)CN1CSc2c1n[nH]n2	PC-id_141497942	185.207	KQESEOCKQRDEHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011006
CC(=O)C1CCc2c1nc(s2)F	PC-id_57907426,SCHEMBL11983396	185.219	DQETVURHFRVEJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011007
c1c(sc2c1SC(=O)C2=N)O	PC-id_137252907	185.224	BRPKOQCNZAPEBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011008
s1c2[n+](CCN2)c(CC(=O)O)c1	PC-id_52365299	185.224	KYLGVTXSFSDBGX-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-011009
C1c2c(c(cn2CS1)CO)CO	PC-id_91312732	185.243	CJEOPXONBRFWHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011010
C1c2c(CS1)sc(c2)C(=O)[O-]	PC-id_86307713	185.243	RBINIIIGSUWMLQ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-011011
c1(CN)c2COCc2sc1OC	EMOLS-id_331060782,MCULE-7558762746	185.243	SEQBASFLPGFRER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011012
c1(CO)c2CNCc2sc1OC	EMOLS-id_331065899,MCULE-9442398846	185.243	DWTMBWVSOVIYSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011013
CC1(C)OCc2c(CS)noc12	MCULE-6002751927,EMOLS-id_259607280	185.243	VUTBWDYUCZJJDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011014
CC1n2c(CS1(=O)=O)ccc2C	PC-id_102321082	185.243	FQWACONDJTZQEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011015
OCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_114485445	185.243	ZTDABMKLWCFFEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011016
s1c2CCOc2cc1C(O)CN	PC-id_82406141	185.243	XFKCUHULXQOPOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011017
s1c(c2CCOc2c1)C(O)CN	PC-id_82406142	185.243	XGAFWCVDALBZMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011018
s1c(C(N)CO)cc2CCOc12	PC-id_82406138	185.243	MJKWQGNKHUQOEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011019
S(=O)(=O)(c1n2CCCc2cc1)C	PC-id_11286879	185.243	RYIALRXLEZUZKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011020
CCN1C(N)Oc2c1sc(c2)N	SCHEMBL5041235,PC-id_69290221	185.247	BCXDDPKIPAWZDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011021
CCN1C(N)Sc2c1oc(c2)N	SCHEMBL5039613,PC-id_69289576	185.247	WQBILEKVKSFZGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011022
CC(n1nc2n(c1=O)CCS2)C	PC-id_57927363,SCHEMBL12012165	185.247	DWZKCQWOGCAGAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011023
CCS(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_97227706,MCULE-5329869499	185.247	MPXBLKHPTRUQLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011024
NCCn1[nH]c2c(c1=O)CSC2	PC-id_105441660	185.247	WALMSHBGYFWCMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011025
NNc1sc2c(n1)C(OC2)(C)C	EMOLS-id_97140122	185.247	XWORFJBDOUAAFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011026
OCCn1nc2c(c1N)CSC2	PC-id_105441658	185.247	LRGBXMVGSCQYKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011027
OCCn1nc(c2c1CSC2)N	PC-id_105441659	185.247	YUNKDNDITVPRRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011028
S1c2n(CC1)c(c(n2)C)CNO	PC-id_82602185	185.247	DOXVHJDCKDYDKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011029
S1c2n(CC1)cc(n2)C(N)CO	PC-id_82655456	185.247	GOIOMOLVLCWZNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011030
S1c2n(c(C(N)CO)cn2)CC1	PC-id_82602186	185.247	ILUJRRCAQZGJAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011031
S1c2n(c(C(O)CN)cn2)CC1	PC-id_82602191	185.247	JABNKBSGFYOPGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011032
S1c2n(nc(C(N)CO)c2)CC1	PC-id_82655457	185.247	QUBUYPJDKCUDAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011033
S1Cc2n(CCN)c(=O)[nH]c2C1	PC-id_82406134	185.247	TWHPSHXQIVSHAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011034
S1CCn2c(CNOC)cnc12	PC-id_82602188	185.247	LBIORUCSESZYKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011035
S1CCn2nc(nc12)CC(O)C	PC-id_83675186	185.247	IHGPLMKNSMRUAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011036
s1nc(c2N(CC(O)c12)C)CN	PC-id_82602189	185.247	XBUSNFDVKRRJHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011037
S1(=O)Cc2c([nH]nc2CCN)C1	PC-id_83483078	185.247	MAGMTZRVVLXNEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011038
S=c1n(c2OCCc2[nH]1)CCN	PC-id_82406135	185.247	NEXFDZGRNSFEQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011039
Cc1nn2C(NNc2c1N)SC	PC-id_136660712	185.25	UTBSYXRXPNYZRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011040
S1c2n(nc(n2)C(N)CN)CC1	PC-id_82406123	185.25	PEPNXWPQBMANEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011041
CC(C1CCc2c1nc(s2)F)C	SCHEMBL12862759,PC-id_58125084	185.262	DKEWEOPWITUSJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011042
CC(c1nc2c(s1)CCC2F)C	SCHEMBL13655003,PC-id_89140365	185.262	VSISYKXLENLGTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011043
FCCNC1CCc2c1scc2	EMOLS-id_265528313	185.262	VPTNPXIECUPNCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011044
NCC(F)c1cc2CCCc2s1	MCULE-6096807358,EMOLS-id_313838006	185.262	GBOIETOBPOJVNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011045
c1(C=O)c2CSCc2sc1N	MCULE-5545779980,EMOLS-id_331061290	185.267	NLHIBBQHNCXIKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011046
c1(C(=O)N)cc2c(CSC2)s1	MCULE-2480873538,EMOLS-id_330874177	185.267	UXXSKORNGWAAIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011047
c1(C(=O)N)csc2CSCc12	EMOLS-id_331060777,MCULE-4298740955	185.267	YRMGUQVFJDVISS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011048
O=CS1(N)C=Cc2c1scc2	PC-id_141443683	185.267	APWPMWWDPLPZFP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011049
s1c2c(nc1SC)CCC2=O	PC-id_83680997	185.267	QGEXZUCLWFRQJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011050
s1c2c(NC(=C(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=O)cc1	PC-id_44133440	185.276	ZHWWZPQDOJHLBX-WFGJKAKNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011051
c12CSCc1scc2CNC	MCULE-7566634312,EMOLS-id_331061033	185.31	VAIHOLAUXMFMCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011052
c12CSCc1sc(CNC)c2	MCULE-1870526580,EMOLS-id_330874433	185.31	JEMYQNXHQYXFQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011053
Cc1nc2c(s1)CCC2SC	PC-id_134448079,SCHEMBL20083700	185.31	KQHYQMACBAURDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011054
CCC1CCc2c1nc(s2)S	EMOLS-id_97112563,PC-id_116177102	185.31	JPXKKKMZDMITAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011055
NCCc1cc2c(s1)SCC2	PC-id_97704636	185.31	HISFRYRFEZLEPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011056
s1c2c([nH]c1=S)C(CC2)(C)C	EMOLS-id_42571601,PC-id_79863170	185.31	AKNCTRMZHJKYAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011057
S1C(N(c2sccc12)CC)C	PC-id_71394108	185.31	SFQMQEDPHCPDNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011058
C1Cn2c(ccc2C(=O)O)C1Cl	PC-id_134285194,SCHEMBL19900905	185.608	KGUPZVMTSBINSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011059
Clc1c2CCCc2[nH]c1C(=O)O	SCHEMBL8144806,PC-id_57659965	185.608	BMOOMAJMFWQQDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011060
Clc1cc2n(CCC2C(=O)O)c1	PC-id_20528184,SCHEMBL11272687	185.608	NGNRMMNNHXBRSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011061
Clc1c(n2CCCc2c1)C(=O)O	PC-id_84014165,SCHEMBL19900927	185.608	SUJBMWXMHWNIJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011062
Clc1[nH]cc2C(CCc12)C(=O)O	PC-id_83906974	185.608	SQQAVJWLNKSTGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011063
Clc1[nH]c(c2CCCc12)C(=O)O	PC-id_84014164	185.608	OUJUMDSNKOBHRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011064
Clc1c2n(nc1)CC(NC)C2=O	PC-id_82405970	185.611	OZZXAHXWLQYSDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011065
ClCC(=O)N1Cc2c(C1)cn[nH]2	MCULE-4130369908	185.611	KRBCWBLVTBQOBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011066
c1(C#N)c2COCc2sc1Cl	EMOLS-id_331066144,MCULE-3651197120	185.631	FIPLINTVMJPXSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011067
n1c(Cl)c(n2CCSc12)C#N	PC-id_333008,MCULE-1164138699,LI_187431,NSC332716,CoCoCo_5604888	185.634	WGWOAHDFIGRHSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011068
CC1Cc2c(C1CN)cc(o2)Cl	PC-id_112714827	185.651	XOCJAYYZQRCWQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011069
CC1Cc2c(C1CN)oc(c2)Cl	PC-id_112714826	185.651	XEKKVUFLYSGIKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011070
CCC1CCc2c1onc2CCl	EMOLS-id_96566807,PC-id_116177560	185.651	XIRDIDDLHZDBPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011071
Clc1oc2C(CCc2c1)CCN	PC-id_83906975	185.651	GKLQITVXUDUEHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011072
Clc1oc2C(CCc2c1)C(N)C	PC-id_83906977	185.651	IHOLJWWKELHTMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011073
Clc1oc2C(CCc2c1)CNC	PC-id_83906979	185.651	ZQMIWECPXPZFKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011074
Clc1oc2c(C(CC2)CCN)c1	PC-id_83906976	185.651	HOFGJKLSDUSZKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011075
Clc1oc2c(C(CC2)C(N)C)c1	PC-id_83906978	185.651	VMWDCPIEDUDYLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011076
Clc1oc2c(C(CC2)CNC)c1	PC-id_83906980	185.651	DWGYLKSTRNQAPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011077
ClCc1noc2c1CCC2(C)C	PC-id_80463496,EMOLS-id_96533254	185.651	HGCMCKBCGWUNLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011078
CNC1C(C)Cc2c1cc(o2)Cl	PC-id_112714829	185.651	GJGCDVTYBKTOSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011079
CNC1C(C)Cc2c1oc(c2)Cl	PC-id_112714828	185.651	NEDUCYSWAADSKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011080
c12CN(Cc1nn(C)c2CCl)C	MCULE-1642999194,EMOLS-id_317875701	185.654	UDQUULNKNQNUQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011081
CC(c1c(Cl)nc2n1CCC2)N	PC-id_112545620	185.654	QJWYKYVWDQFVPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011082
CC(c1nc2n(c1Cl)CCC2)N	PC-id_112545623	185.654	YMDCUXYNOHPABC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011083
CC(C)n1nc2CNCc2c1Cl	MCULE-9998011653,EMOLS-id_324338287	185.654	WCGYGZOJLGDJIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011084
Clc1c2n(nc1N)CCC2(C)C	SCHEMBL2799848,PC-id_67540062	185.654	GMENYKJIAYLSNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011085
ClCCNc1nc2CCCc2[nH]1	PC-id_66490473,MCULE-8001758699,EMOLS-id_50077598	185.654	STKIJJDHDPMKME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011086
CNCc1c(Cl)nc2n1CCC2	PC-id_112545619	185.654	AMYPXOWHFZTZRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011087
CNCc1nc2n(c1Cl)CCC2	PC-id_112545622	185.654	PLQPDGRHUQJLBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011088
NCCc1c(Cl)nc2n1CCC2	PC-id_112545621	185.654	LMGQMXBWDWXSMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011089
NCCc1nc2n(c1Cl)CCC2	PC-id_112545624	185.654	OGOINNPSRADHKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011090
C1SC2=C(SN=C2S1)C#N	PC-id_154166697	185.938	BKXWNBCZNMIENV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011091
CC1=C2C(=C(S1)C)N=S(N2)C	PC-id_164145440	186.029	YZYYXWBURAMUDS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011092
CC1(CC2=C(S1)C=C(S2)N)N	PC-id_163564882	186.029	FUJBAVRRMRNIOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011093
CC1N(C2=C(S1)N=C(S2)C)C	PC-id_153649096	186.029	DNQRIKDGNCDFIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011094
C[C@@H]1C(C2=C(S1)[NH+]=C(S2)C)C	PC-id_149497378	186.041	ZGHRDMDGZYETOB-BRJRFNKRSA-O	00000010100000000001000010000000000000000000000000000000	25-01-011095
Brc1n2CCCc2cc1	PC-id_83669132	186.049	PFJONPTYBQTFHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011096
Brc1[nH]c2c(c1)CCC2	PC-id_112708776	186.049	RRTIGXDWBSZVRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011097
C1CC2=NC=C(N2C1)S(=N)(=O)N	PC-id_153464989	186.058	IYYZECHEKWOCEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011098
CC(=O)c1n[nH]c2c1C(F)(F)CC2	PC-id_105441979	186.159	ZSYAOATVPSGUHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011099
FC(F)C(=O)c1n[nH]c2CCCc12	MCULE-2876760824,EMOLS-id_314012734	186.159	DANKKSCYNWHQEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011100
O=Cc1nn(c2c1C(F)(F)CC2)C	PC-id_105441978	186.159	KDATWCVAZMZNBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011101
OC1C(n2nnnc2C1O)C(O)C	PC-id_78186173	186.169	ISQQQPDMVUJOIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011102
O[C@@H]1[C@@H](n2nnnc2[C@@H]1O)[C@@H](O)C	PC-id_456899	186.169	ISQQQPDMVUJOIV-QMKXCQHVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011103
O[C@H]1[C@H](n2nnnc2[C@H]1O)[C@H](O)C	PC-id_482862	186.169	ISQQQPDMVUJOIV-MBMOQRBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011104
OC(=O)c1c(C)sc2c1OCO2	PC-id_112545326	186.185	PODWDVKEVZNDBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011105
OC(=O)Cc1csc2c1OCO2	PC-id_96626359	186.185	JWYFYMKFYACHBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011106
S1(=O)(=O)Cc2c(C1)coc2C=O	PC-id_82405941	186.185	IUXYRZNAYTXFEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011107
C1C(S(=O)(=O)c2nccn12)C=O	SCHEMBL7638202,PC-id_88177388	186.188	UXAWKZHKDDGUHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011108
OC1CNc2c1snc2C(=O)O	PC-id_112489005	186.188	PPBBPDUDSBVJHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011109
O=Cc1cn2c(n1)S(=O)(=O)CC2	EMOLS-id_265547811,SCHEMBL7180101,PC-id_18183096	186.188	PODIRZNXZPJLBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011110
O=CC1CS(=O)(=O)c2n1ccn2	SCHEMBL7638207	186.188	VIRWMPFJSKBFCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011111
O=Cc1n[nH]c2c1CS(=O)(=O)C2	PC-id_105441998	186.188	JFMWTQWSDHQMJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011112
S1C(c2c([nH][nH]c2=O)C1)C(=O)O	PC-id_82405937	186.188	MEQRBYWRLCOQEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011113
S1(=O)Cc2c([nH]nc2C(=O)O)C1	PC-id_83483147	186.188	QZWHJVOMHIBQNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011114
S1(=O)Cc2[nH]c(nc2C1)C(=O)O	PC-id_83483146	186.188	ZYAZBRLHLKICAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011115
S1(=O)(=O)CCn2nc(cc12)C=O	PC-id_83483144	186.188	HSAXJBNWIYDIIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011116
NS(=O)(=O)C1C=Nc2n1ccn2	PC-id_143421036	186.192	VXZLMOROOXIAQS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011117
CC1CCc2c1cnn2CC(F)F	EMOLS-id_331021029,MCULE-8041325293	186.202	AWYWFJZESCQDOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011118
CC1CCc2nn(CC(F)F)cc12	MCULE-4482670424,EMOLS-id_331004072	186.202	SPQLMANRSCGQJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011119
CCc1[nH]nc2c1CC(C2(F)F)C	PC-id_144693641	186.202	BVMSIKXDFMTRAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011120
O=COc1sc2c(c1F)CCC2	SCHEMBL16638196,PC-id_118011366	186.203	QCSXODPQADAWDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011121
n12c(C(=C(C1=N)C#N)N(C)C)ccc2	PC-id_12205228	186.213	GAWJSJGAYAWFCI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011122
c1(CO)c2COCc2sc1OC	EMOLS-id_331060526,MCULE-7908852628	186.228	LOBAPCHBMAANQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011123
COC1SCc2c1[nH]n(c2=O)C	PC-id_117905052,SCHEMBL16509171	186.231	LGRKTTVYCHGWEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011124
OCCn1nc2c(c1O)CSC2	EMOLS-id_114490859	186.231	NADAQEXPPHPKJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011125
S1C(c2[n+](noc2[O-])C1C)(C)C	PC-id_16723366	186.231	TXILBMRNJWISBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011126
S1[C@@H](c2c([nH][nH]c2=O)C1)[C@H](O)C	PC-id_10932151	186.231	XAUMSXNJDSIYPI-AWFVSMACSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011127
S=c1n2CC(O)Cc2c(O)n1C	PC-id_53771625	186.231	DOZWCCKZORYHDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011128
CCc1n[nH]c2c1CS(=O)(=O)C2	PC-id_11074112,SCHEMBL19413426	186.232	JHKRYTFIMYIRTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011129
CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_97138367	186.232	IJEJXQOGWLTPOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011130
CS(=O)(=O)c1n[nH]c2CCCc12	PC-id_83856397,EMOLS-id_337903648	186.232	AGDQGFFYZATOOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011131
CS(=O)(=O)n1nc2c(c1)CCC2	PC-id_117881585,SCHEMBL16476463	186.232	HPARHYXRDHRIFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011132
CS(=O)(=O)n1ncc2c1CCC2	PC-id_117881586,SCHEMBL16476464	186.232	PIMUTUPCEVYJMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011133
NS(=O)(=O)n1cc2CCCc2c1	EMOLS-id_324006057	186.232	IYELWUHKPRBXIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011134
OS(=O)Cc1cc2CCCn2n1	EMOLS-id_324138551	186.232	IUJYKBIUFBONQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011135
S1Cc2c([nH]n(c2=O)CCO)C1	PC-id_83195520	186.232	DXOPOQCIIPSQDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011136
S1Cc2n(nc(c2CO)CO)C1	PC-id_71575592	186.232	SYHCTBFGIDIVPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011137
S1(=O)(=O)Cc2[nH]c(cc2C1)CN	PC-id_84770112	186.232	RVCOBLGXTFHKAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011138
S(=O)(=O)(c1nc2n(CCC2)c1)C	PC-id_3080455	186.232	XFNAXIDEDHOFSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011139
CS(=O)(=N)N1Cc2c(C1)c[nH]n2	MCULE-3141270660	186.235	LHCUCAFKIWTSTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011140
S1CCn2nc(nc12)C(N)CO	PC-id_82602317	186.235	YFUJWILDTHKFGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011141
OC(CF)c1cc2CCCc2s1	EMOLS-id_313794509,MCULE-3179158526	186.246	QBRFTGDKHRQITJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011142
CC(c1nc2c(s1)C(CC2)F)N	PC-id_105442137	186.25	RPXVKNDPEDPMTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011143
CCc1nc2c(s1)CN(C2F)C	SCHEMBL12344026,PC-id_68251374	186.25	MBGAHHCQCSMFPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011144
C=CCC1=Cc2c(C1)cc(o2)CC=C	PC-id_70163410,SCHEMBL7690348	186.25	TVYGZBAULUBMGH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011145
C=CCC1=Cc2c(C1)oc(c2)CC=C	PC-id_70164831,SCHEMBL7694282	186.25	ISZCQYLLNYJMBR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011146
FCCn1c(=N)sc2c1CCC2	EMOLS-id_114491296	186.25	GHNSERJALDVWMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011147
NCCc1nc2c(s1)C(CC2)F	PC-id_105442138	186.25	SRGWBDLANOYHHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011148
c1(C(=O)O)csc2CSCc12	EMOLS-id_331062568,MCULE-5256035945,SCHEMBL19084998	186.251	DPBVAWQAQGRUTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011149
C1CSc2c1sc(c2)OC=O	SCHEMBL15965591,PC-id_90352119	186.251	DMVYAZRLJHRPEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011150
OC(=O)c1cc2CCSc2s1	MCULE-5477301858,PC-id_19759911,EMOLS-id_259967435,SCHEMBL9459054	186.251	LYLSDXMJDOWBTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011151
OC(=O)c1cc2c(s1)CCS2	SCHEMBL15966232,PC-id_82405784	186.251	IBLHCADKBKZUQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011152
O=C(O)c1cc2c(s1)CSC2	SCHEMBL1661408,EMOLS-id_44454864,PC-id_67111556,ZINC22_82046929,MCULE-4734801580	186.251	RBINIIIGSUWMLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011153
OC(=O)C1Cc2c(S1)scc2	SCHEMBL9459194,PC-id_19759869	186.251	WRSUADAHVGZJBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011154
O=COc1sc2c(c1)CSC2	PC-id_58280902,SCHEMBL12622655	186.251	LAJNVWGSSYWMJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011155
OC(=O)C1Sc2c(C1)scc2	SCHEMBL750015,PC-id_66788475	186.251	PWSWXTHCFVXXJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011156
S1c2c(scc2OC)C(=O)C1	PC-id_50994337	186.251	IHURCNGOHASZIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011157
S1Cc2c(C1)csc2C(=O)O	PC-id_82405785	186.251	ODLVQRNQCHBUMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011158
C#Cc1nn(CC2CC2)c2CCCc12	EMOLS-id_324399966,MCULE-9335202325	186.253	RZTVTCVGWOCFPH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011159
CC=CC1=C(Cc2c1ccs2)C#C	PC-id_88944163	186.273	GGUJHMTYVBZLRH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011160
C/C=CC1=C(Cc2c1ccs2)C#C	SCHEMBL12657388	186.273	GGUJHMTYVBZLRH-HYXAFXHYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011161
c12CS(=O)Cc1c(sc2C)C	TIMTEC22000,MCULE-1226215907,ZINC22_2026867,SPECS-id_AI-942/13331140,EMOLS-id_13729500,PC-id_1713635	186.294	ATTIDGJEEJUUOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011162
S1(=O)CC(c2c1csc2)(C)C	PC-id_21300172	186.294	MOWPIXHTCLVXRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011163
S1(=O)CC(c2sccc12)(C)C	PC-id_21300177	186.294	FGEDABYYVTXZES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011164
c12CSCc1sc(CN)c2N	MCULE-8394768073,EMOLS-id_330871874	186.298	BULUGEFRCXMQMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011165
c1(CN)c2CSCc2sc1N	EMOLS-id_331061802,MCULE-2534407300	186.298	TWQZNGMTMMDHIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011166
CCc1nc2c(s1)CSN2C	PC-id_89007827,SCHEMBL13063724	186.298	TXTYQFOQCXCHMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011167
s1c2C(NCc2nc1SC)C	PC-id_82405634	186.298	LJGLUQSUDNBDND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011168
SCc1c(C)nc2n1CCS2	PC-id_141803403	186.298	LELRUBYGVORFPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011169
s1c2CCCc2sc1=[N+](C)C	PC-id_11778717	186.318	AVPQFLSMTRUSIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011170
s1c2CC(=Cc2sc1=S)C	PC-id_85690228	186.318	VQZAQPLKISWJEL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011171
s1c2CC(=C(S)c2cc1)S	PC-id_59155604	186.318	RVPPIFHFTANMGI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011172
Clc1oc2C(CCc2c1)C(=O)O	PC-id_83907061	186.592	HASMIOFMABRREE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011173
Clc1oc2CCC(c2c1)C(=O)O	PC-id_83907062	186.592	DJJWZZIUJQANEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011174
Clc1c2n(nc1C(=O)O)CCC2	PC-id_84039322	186.596	UXBKYPYOACSFMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011175
Clc1nc2CCCn2c1C(=O)O	EMOLS-id_324325888,MCULE-5529611145,PC-id_84014193	186.596	JVFOMRVCXHABQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011176
ClOC(=O)c1cn2c(n1)CCC2	PC-id_144232823	186.596	WRYBQKUFIGOONU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011177
OC(=O)c1c(Cl)nn2CCCc12	EMOLS-id_324140343,PC-id_83672069	186.596	CDYGUXUQQZCEPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011178
OC(=O)c1nc2n(c1Cl)CCC2	PC-id_112545627	186.596	YYMJIJNQSQXVKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011179
Clc1sc2c(C(=O)CC2=O)c1	PC-id_16639320	186.616	NZTJZGXCTNYADH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011180
Clc1n2CCCc2nc1C(O)C	PC-id_84660795	186.639	JDBKRXKFJZGXEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011181
Clc1nc2n(CCC2)c1C(O)C	PC-id_84660794	186.639	YFPGDPBXSZQSMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011182
Clc1[nH]cc2C(N)(CCc12)CO	PC-id_83907065	186.639	AYNINBDGDRXCIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011183
Clc1[nH]cc2C(O)(CCc12)CN	PC-id_83907064	186.639	OLXFIGZMHNGLAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011184
c1(C=O)c2CCCc2sc1Cl	EMOLS-id_331061799,MCULE-4180157536	186.659	SRRKIUHOLVAMBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011185
c1(C(=O)Cl)cc2c(CCC2)s1	PC-id_19088019,MCULE-4943883202,EMOLS-id_7639871,SCHEMBL3096138	186.659	FSHSZEHNJRQELP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011186
Clc1c2CCCc2sc1C=O	PC-id_84770225	186.659	KPZWAJULSXWVGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011187
Clc1cc2c(s1)C(=O)C(C2)C	SCHEMBL10593129,PC-id_12564769	186.659	VSJKPSLHJAGGOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011188
Clc1sc2c(c1)C(=O)C(C2)C	PC-id_112714833	186.659	NAZSHHDUCXYSRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011189
ClC(=O)c1c2CCCc2sc1	PC-id_82341867	186.659	IOEXTKDVNPNSNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011190
NN=C1CCc2c1cc(s2)Cl	EMOLS-id_303531205	186.662	FHFULBZVDRNGFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011191
C1C(N2C(=CC=N2)N1)Br	PC-id_153322585	186.975	SAQOMIUVTRSYCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011192
CC1=NS(=O)(=O)C2=C1C=CS2	PC-id_163593851	186.976	GRTMRUDTQJLHEC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011193
C1=CN2C(C=NC2=N1)S(=O)(=O)O	PC-id_154272248	187.005	LVZSRTRZUYAFOS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011194
C1C=NC2=NC=C(N21)S(=O)(=O)O	PC-id_154107739	187.005	ITHNRFVCIUCQOO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011195
Brc1oc2CCCc2c1	PC-id_84770230	187.034	WRTIIDCAHDTXSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011196
Brc1c2c(CCC2)[nH]n1	MCULE-1439411032,EMOLS-id_313744156,PC-id_84660827,EMOLS-id_313545478	187.037	RNCKAOFNFMMOCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011197
Brc1cc2CCCn2n1	ZINC22_217715767,MCULE-2599070216,PC-id_90319196,SCHEMBL15923601,EMOLS-id_307837962	187.037	RYEGWNUMFCRGFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011198
Brc1cc2c([nH]1)CCN2	SCHEMBL5082094,PC-id_69304589	187.037	DJTWEQNYXNMGJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011199
Brc1cn2CCCc2n1	SCHEMBL19991554,MCULE-4614124017,ZINC22_84326686,PC-id_83681552,EMOLS-id_64018933	187.037	BMXJCILXNYCNJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011200
Brc1cnc2CCCn12	SCHEMBL599822,TIMTEC374864,EMOLS-id_11474195,PC-id_26967388,MCULE-6045496850,ZINC22_16124762	187.037	PDWIPFQOYQLXTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011201
Brc1cnn2c1CCC2	SCHEMBL14061688,EMOLS-id_50276815,MCULE-4953267218,ZINC22_95762327,PC-id_15287071	187.037	ASLSBGAOXZIHHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011202
BrC1Nc2c(C1)[nH]cc2	SCHEMBL2781691,PC-id_67532526	187.037	UXSCUYMOPDRSNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011203
Brc1ncn2CCCc12	EMOLS-id_331185367	187.037	LHRKDYXFEOPCIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011204
Brc1[nH]c2c(CNC2)c1	PC-id_82405598	187.037	RTXBMCVPYWILJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011205
Brc1[nH]cc2c1CNC2	PC-id_82602405	187.037	BIFAZXAPWDCBJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011206
C=S(=O)(C1=C2N(CCO2)N=C1)N	PC-id_162088867	187.042	ZDIFDXFJZRYQPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011207
C=C1Oc2c(O1)c[se]c2	PC-id_141185541	187.055	NPDJKPSULJOTFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011208
[se]1nnc2CC(Cc12)C	PC-id_85950089	187.101	NKIQNAJXNFWSOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011209
CC(C)(C)c1nn2c(c1)CN=C2C#C	PC-id_163891968	187.111	NWPRELHDDRZGBT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011210
CC(=O)c1noc2c1C(F)(F)CC2	PC-id_105442436	187.143	WZEBUKJZTZZABK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011211
FC1(F)Cc2[nH]c(cc2C1)C(=O)O	PC-id_44125251,SCHEMBL1005695	187.143	LQDILOMYVANZRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011212
FC1(F)CCc2c1[nH]c(c2)C(=O)O	SCHEMBL8162446,PC-id_57659889	187.143	WSCDBHRHUARNPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011213
FC1(F)CCc2[nH]c(cc12)C(=O)O	PC-id_57659966,SCHEMBL8167678	187.143	NQASARFYNMACHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011214
OC(=O)c1n(F)c2c(c1F)CCC2	PC-id_141214809	187.143	CEOWSBRPGDBNQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011215
FC(C(=O)N1Cc2c(C1)c[nH]n2)F	EMOLS-id_97218536,MCULE-7177856496	187.147	SABCLGPITHQQJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011216
FC(C(=O)N1CCn2c1ccn2)F	EMOLS-id_114494249	187.147	JGAGBPAHJLRATQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011217
COc1oc2c(c1OC)OCN2O	SCHEMBL5922254,PC-id_69607972	187.15	QWBOSNZMUJDPDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011218
COC1Oc2c(N1O)oc(c2)OC	SCHEMBL5922066,PC-id_69607816	187.15	HZWRHMHCGQHTNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011219
COC1Oc2c(N1O)occ2OC	SCHEMBL5922295,PC-id_69608005	187.15	YZKKGALVGZFTKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011220
Cc1cc2c(o1)S(=O)(=O)NC2=O	PC-id_20471862,SCHEMBL11048382	187.173	JFAOVYDFYSSZPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011221
OC(=O)c1sc2c(c1N)OCO2	PC-id_112545327	187.173	PKGQKIBNUCVOLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011222
S1C(c2c(o[nH]c2=O)C1)C(=O)O	PC-id_82405576	187.173	RMVLFLPNLVSTNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011223
S1(=O)Cc2c(onc2C(=O)O)C1	PC-id_83483320	187.173	LZOKCTVCBZEGSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011224
S1(=O)(=O)NC(=O)c2c1occ2C	PC-id_20471870	187.173	SXHQPOVGYANJRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011225
Cc1[nH]nc2C(=O)NS(=O)(=O)c12	EMOLS-id_208098634,MCULE-4685582929	187.176	IFOQOBIEJLKAKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011226
Cn1ncc2C(=O)NS(=O)(=O)c12	MCULE-5642049773,EMOLS-id_208095527	187.176	TZWQPTMTZHBFEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011227
S1(=O)(=O)CC(=O)n2nc(nc12)C	PC-id_86191761	187.176	RBNPCZOIVSOASS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011228
Cn1cc2C(=O)NS(=O)(=O)c2n1	MCULE-4637405362,EMOLS-id_208097315	187.177	QBQVLWDOLAEKJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011229
Cn1ncc2c1C(=O)NS2(=O)=O	EMOLS-id_324306791,MCULE-1643065437	187.177	DZEZZGWVELFAMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011230
S1(=O)(=O)CCn2nc(nc12)C=O	PC-id_83483321	187.177	DIYRZNPDZBCNFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011231
c12cc(nn1CCN2CC(F)F)C	EMOLS-id_317876212,MCULE-1961958265	187.19	HKWDYOJNVQSYOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011232
c1(C(CN)(F)F)c2CCCc2[nH]n1	MCULE-7389325282,PC-id_119031269,EMOLS-id_53842919	187.19	VQDRARPQSWQSGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011233
CC1C(C(c2c1c(n[nH]2)N)(F)F)C	PC-id_90385283	187.19	KMWSCVDLVDGIOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011234
CCC(C1CCc2n1ncn2)(F)F	SCHEMBL20213501,PC-id_134563868	187.19	AIKKLLYELRTFTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011235
C[C@@H]1[C@H](C)c2c(C1(F)F)[nH]nc2N	SCHEMBL16006085	187.19	KMWSCVDLVDGIOX-IUYQGCFVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011236
CCn1nc(c2c1CCC2(F)F)N	PC-id_105442454	187.19	GXDXAKAICWHDQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011237
CN1Cc2c(C1)cn(n2)CC(F)F	SCHEMBL17624285,PC-id_118974275	187.19	YPHWVKXRFODEAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011238
FC(Cn1ncc2c1CN(C2)C)F	SCHEMBL17624352,PC-id_118974330	187.19	RQOPFMQPMCQLJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011239
FC(CNC1CCn2c1ncc2)F	EMOLS-id_265572806	187.19	LODNQVPIAKOYSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011240
FC(F)CCn1ncc2c1CNC2	PC-id_84660974	187.19	KFASMIQPFGCTIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011241
n12CC(Cc1cc(CCN)n2)(F)F	EMOLS-id_317875965,MCULE-3039140496	187.19	WOVGGYWTQSLFQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011242
n12CC(Cc1c(cn2)CCN)(F)F	MCULE-4443448899,EMOLS-id_317876989	187.19	QFCUEKIACOJEMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011243
n1(CC(F)F)nc2c(CCC2)c1N	EMOLS-id_317869563,MCULE-9461527358	187.19	KABNCDMUXJOWHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011244
NCc1nn(c2c1C(F)(F)CC2)C	PC-id_105442455	187.19	CQCXPGFFXZHWEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011245
NC(C(F)F)c1n[nH]c2CCCc12	MCULE-9033964041,EMOLS-id_314012476	187.19	RRAYOVCUUFEWOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011246
FC1CCc2c1sc(n2)C(=O)O	PC-id_105442456	187.191	SECWZKVHNUTTLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011247
OC(=O)C1CCc2c1nc(s2)F	PC-id_57907435,SCHEMBL11983561	187.191	AROVUSQMAHDQNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011248
OC(=O)C1(F)Sc2c(C1)[nH]cc2	PC-id_70159594,SCHEMBL7674306	187.191	GFBKHDPZBHWSRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011249
NN1Cc2c(C1)cn(n2)S(=O)[O-]	PC-id_117884193	187.2	FCQOSPFNVAFHKB-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-011250
S1(=O)(=O)Cc2c(C1)coc2CN	PC-id_82602420	187.216	RGZSWGLJDFSUIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011251
S1(=O)(=O)Cc2c(oc(c2)CN)C1	PC-id_84770340	187.216	UOMKKGVEIZHHES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011252
S1(=O)(=O)Cc2c(onc2CC)C1	PC-id_11106084	187.216	GIYHJMIVFODQLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011253
S(=O)(=O)(c1onc2c1CCC2)C	PC-id_83856394	187.216	CZBCMLQDCOIIBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011254
c1(cnn2CCCc12)S(=O)(=O)N	MCULE-2675984825,EMOLS-id_317865725	187.22	AIKQENNYIRCQBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011255
CS(=O)(=O)c1[nH]c2c(n1)CNC2	PC-id_118614410,SCHEMBL17380681	187.22	PPQHWBUKYAKGSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011256
CS(=O)(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_97227578,MCULE-2928081367	187.22	IYIHPLRMCWIFFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011257
CS(=O)(=O)n1cc2c(n1)CNC2	EMOLS-id_53927119,MCULE-5326034357,SCHEMBL823985,ZINC22_114658275,PC-id_57518503	187.22	BUJWKBIFOTURDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011258
CS(=O)(=O)N1CCn2c1ccn2	EMOLS-id_114496280	187.22	CAZPTJNBXXRFPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011259
CS(=O)(=O)n1ncc2CNCc12	EMOLS-id_337740405	187.22	NHZQJIFLKPXAQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011260
Nc1n(C)nc2c1CS(=O)(=O)C2	PC-id_105442536	187.22	ZSCIUDOVRKHQEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011261
Nc1nn(c2c1CS(=O)(=O)C2)C	PC-id_105442535	187.22	UWRRFRDKIDTSHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011262
NCc1n[nH]c2c1CS(=O)(=O)C2	PC-id_105442534	187.22	MFLINZPZDBICRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011263
NS(=O)(=O)c1c2c(CCC2)[nH]n1	EMOLS-id_317766270,EMOLS-id_314013378,MCULE-4920097062	187.22	IDNLEKSDUCMJFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011264
NS(=O)(=O)C1CCc2n1ccn2	SCHEMBL18007695,PC-id_122480729	187.22	MXZOJWASZAUUJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011265
NS(=O)(=O)c1cn2CCCc2n1	SCHEMBL18007700,EMOLS-id_337855247,PC-id_122480734	187.22	YQKSSYQFTUUWHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011266
NS(=O)(=O)c1cnc2CCCn12	PC-id_75469683,EMOLS-id_48609276,MCULE-4824172385,ZINC22_95875846	187.22	SIAJGWILHWNWCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011267
s1c2NNSc2cc1C(=O)[O-]	PC-id_53442611	187.22	ZUVVPOYEXVLEOS-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-011268
S1(=O)(=O)CCn2c1nc(c2)CN	PC-id_82655693	187.22	BBBCLWPJYIMAOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011269
S1(=O)(=O)CCn2nc(cc12)CN	PC-id_82655694	187.22	NPJFWVWIHXXKAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011270
CC=CC(=CC)c1nc2=CCC=c2o1	PC-id_89195340	187.238	MKGXZZNOSPAFBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011271
CC=C/C(=CC)/c1oc2=CCC=c2n1	SCHEMBL13891361	187.238	MKGXZZNOSPAFBB-XTYJPNQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011272
c1(csc2CSCc12)N(=O)=O	MCULE-3300399845,EMOLS-id_330870853	187.239	AQXCCHPTHOTNTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011273
CC1=NS(=O)(=O)c2c1scc2	SCHEMBL8285721,PC-id_70333839	187.239	MIDQWNZDUWLIOF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011274
S1C(c2ncsc2C1)C(=O)O	PC-id_82405412	187.239	AVISLOSOVQFZMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011275
S1C(c2[n+]([nH]oc2=O)C1C)(C)C	PC-id_16723367	187.239	TXILBMRNJWISBT-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-011276
S1CC(c2ncsc12)C(=O)O	PC-id_82405411	187.239	NYOUAXLCTUTWCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011277
C#Cc1c2CNCc2nn1CC1CC1	MCULE-4624547723,EMOLS-id_324355951	187.241	RPSHEHYTGWJEOV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011278
n1(CC2CC2)c2CCCc2c(C#N)n1	MCULE-8838725442,EMOLS-id_324387672	187.241	HLEJTQBEQKBJSE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011279
n1(CC2CC2)nc2c(CCC2)c1C#N	PC-id_121214353,EMOLS-id_70118692,MCULE-8936031101	187.241	GPSPAVQYEMJLKI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011280
CC/C=Cc1c(C=C)cc2n1CCC2	PC-id_144376877	187.281	FTZDKFMLKDXHQS-YVMONPNESA-N	00000010100000000000000010000000000000000000000000000000	25-01-011281
c12CSCc1sc(CO)c2N	MCULE-7241458322,EMOLS-id_330871618	187.282	KVSIKUKNOJRHPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011282
c1(CO)c2CSCc2sc1N	MCULE-7946273386,EMOLS-id_331061546	187.282	IWAJUZSGGDHKMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011283
Sc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96216939	187.282	JKJMJPIFMXAGRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011284
NC1Sc2c(N1C)sc(c2)N	PC-id_69288271,SCHEMBL5036400	187.286	DUWCXUKIGCYIOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011285
S=c1n(C)c(=S)n2n1CCC2	PC-id_101613380	187.286	APVUGDGIFJEJDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011286
SSN1Cc2c(C1)n(nc2)C	SCHEMBL19464490	187.286	CYVFZWGXBZDYOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011287
Cc1sc(c2c1C[S+](C2)O)C	GD-id_ZINC04088338,PC-id_4419046	187.302	WAOZQKAKNIUFDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011288
C1Cc2nc(c(n2C1)[N+](=O)[O-])Cl	PC-id_137331606	187.584	YHIZGKLHOOWRIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011289
C1Cn2c(c(nc2N1)Cl)C(=O)O	PC-id_136300706	187.584	UXZWQLJFJCSZKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011290
ClCc1noc2c1COC2(C)C	EMOLS-id_96827894	187.623	NYCCMEAWZWWCOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011291
Clc1oc2c(C(N)(CC2)CO)c1	PC-id_83907123	187.624	XIVGNSXCVMFRED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011292
Clc1oc2c(C(O)(CC2)CN)c1	PC-id_83907121	187.624	CNZAROANJXMJPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011293
Clc1oc2C(N)(CCc2c1)CO	PC-id_83907122	187.624	PGWFQVDWUACVBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011294
Clc1oc2C(O)(CCc2c1)CN	PC-id_83907120	187.624	BSQZBMCQMZPSRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011295
Clc1c2OCCn2nc1CCN	PC-id_84039382	187.627	COCDLHZPTSKXFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011296
ClCCn1nc2n(c1=O)CCC2	SCHEMBL9377590,PC-id_15105334	187.627	HMPLPYJAZMPSGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011297
C1CC(=O)c2c(sc(c12)Cl)N	PC-id_89194304,SCHEMBL13887768	187.647	JDPPHHCAFSEMRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011298
c1(C=O)c2CNCc2sc1Cl	MCULE-8748626117,EMOLS-id_331066669	187.647	QYVHPXGPLMGAJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011299
ClC1C(N)c2c(scc2)C1=O	PC-id_73832763	187.647	CFNLTVHSKQVHTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011300
Clc1sc2c(c1)C(=O)C[C@H]2N	CoCoCo_5762563	187.647	BSFAMJFYOYIDDR-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011301
Clc1sc2c(c1)C(=O)C[C@@H]2N	CoCoCo_5762564	187.647	BSFAMJFYOYIDDR-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011302
Clc1sc2C(N)CC(=O)c2c1	PC-id_393513	187.647	BSFAMJFYOYIDDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011303
Clc1scc2c1CCC2=NO	PC-id_20069470	187.647	SFBZHQDCDLWORZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011304
Clc1scc2c1C(N)CC2=O	PC-id_396932	187.647	VXALZHBJUWFQCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011305
Cl[C@@H]1[C@@H](N)c2c(scc2)C1=O	PC-id_21765193	187.647	CFNLTVHSKQVHTC-UHNVWZDZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011306
ClC(=O)c1c2n(CSC2)cc1	PC-id_20274311	187.647	LFFQRJVUKUXGPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011307
ClC(=O)c1n2CCSc2cc1	PC-id_45081613	187.647	PJUYXELGITWQHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011308
ClC(=O)C1Nc2sccc2C1	PC-id_60123185	187.647	SDXVGYLANSUYEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011309
N[C@H]1CC(=O)c2c1c(Cl)sc2	CoCoCo_5770697	187.647	VXALZHBJUWFQCN-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011310
N[C@@H]1CC(=O)c2c1c(Cl)sc2	CoCoCo_5770698	187.647	VXALZHBJUWFQCN-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011311
O/N=C/1CCc2c1csc2Cl	SCHEMBL9864820	187.647	SFBZHQDCDLWORZ-RMKNXTFCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011312
c12CCCc1sc(CN)c2Cl	EMOLS-id_330870607,PC-id_84770624,MCULE-6073924724	187.69	PKVMARQPPAJTQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011313
c12CN(Cc1scc2CCl)C	EMOLS-id_331066150,MCULE-3774253001	187.69	PVWVSFRPAUUHGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011314
c1(CCl)c2CCCc2sc1N	EMOLS-id_331062822,MCULE-1086420015	187.69	JUQUEXVHAAOJPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011315
CC1Cc2c(C1N)cc(s2)Cl	PC-id_112714840	187.69	METPACXDWGYIPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011316
CC1Cc2c(C1N)sc(c2)Cl	PC-id_112714839	187.69	MBPBLCKKUNTKHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011317
CC1CCc2c1c(N)c(s2)Cl	EMOLS-id_96203255,PC-id_114749377	187.69	DMFBGAFIRVHECH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011318
Clc1sc2C(CCc2c1)CN	PC-id_83907131	187.69	CSWUOPWJAHCTKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011319
Clc1sc2c(C(CC2)CN)c1	PC-id_83907130	187.69	JENCJYQDXNKQDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011320
Clc1sc2CCC(c2n1)(C)C	EMOLS-id_42571225,PC-id_79862232	187.69	REJNJLORPJTAQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011321
Clc1sc2CCC(NC)c2c1	PC-id_81252977,EMOLS-id_96482510	187.69	XZQOBUKDVZRHDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011322
Clc1sc2C(NC)CCc2c1	PC-id_83907132	187.69	DBYGUBCCPDXQRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011323
ClCCc1sc2c(n1)CCC2	EMOLS-id_313624341,PC-id_121597743	187.69	ZATYXLWKDWFXKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011324
NCc1c(Cl)sc2c1CCC2	EMOLS-id_96244943,PC-id_121599834	187.69	YKKMBCLEBMTGLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011325
Brc1c2CNCc2oc1	PC-id_84770626	188.022	AVHJWBHAVRIOKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011326
Brc1cc2c([nH]1)CCO2	PC-id_96625710	188.022	MGWQDCAXXBZGSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011327
Brc1[nH]c2c(COC2)c1	PC-id_84770627	188.022	WYAOAHJMXWAHOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011328
Brc1[nH]cc2c1CCO2	PC-id_96625709	188.022	ICWBJISBQCOOIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011329
Brc1noc2CCCc12	PC-id_2763225,EMOLS-id_324161371,MCULE-8748561776	188.022	VWSMDQMFZPHKQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011330
Brc1oc2CCCc2n1	PC-id_83817765	188.022	JNZUQTRLTNESOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011331
Brc1oc2c(CNC2)c1	PC-id_82405240	188.022	SAWWPYSWDCFPHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011332
Brc1occ2c1CNC2	PC-id_82405239	188.022	SZXYYCFSROETJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011333
Brc1onc2c1CCC2	EMOLS-id_317768570,MCULE-7043798516,PC-id_84819073,ZINC22_219772597	188.022	DXEFIWWZGGAIHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011334
Brc1c2n(CCC2)nn1	PC-id_164185783,MCULE-1596397064,EMOLS-id_337783782	188.025	JUHCCWQNBZNESR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011335
Brc1c2n(CCN2)nc1	CoCoCo_5519909,MCULE-4685898769,ZINC22_1725036,SCHEMBL16729648,EMOLS-id_302606636,LI_160588	188.025	XXESRZTZFPKCDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011336
Brc1cc2NCCn2n1	EMOLS-id_330446071,PC-id_136316729	188.025	NAORHOOXQPNJNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011337
Brc1nc2CCCn2n1	PC-id_84661244,EMOLS-id_324002735,MCULE-7926525852	188.025	ZUCQMBFXRQDLQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011338
Brc1nc2c([nH]1)CCN2	PC-id_141374678	188.025	LPBILBOBFRAKSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011339
Brc1[nH]nc2CNCc12	EMOLS-id_317491162,PC-id_105442929	188.025	DGKFTGMYDSGFOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011340
Brc1nnc2CCCn12	EMOLS-id_208143158,MCULE-9527252541,PC-id_83681504	188.025	BTPCIRMLTUIDND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011341
CS(=O)(=O)N1C=C2C[NH2+]CC2=N1	PC-id_154463918	188.049	BUJWKBIFOTURDW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-011342
CC(C)(C)c1nn2c(c1)CN=C2C#N	PC-id_163891967	188.106	MFOXWBLGYFCGRU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011343
OC(=O)c1c2n(CC(C2)(F)F)nc1	EMOLS-id_317770069,MCULE-7214499408,ZINC22_1775955331,PC-id_139026400	188.132	NNYXSBYYHKZVHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011344
OC(=O)c1cc2CC(F)(F)Cn2n1	ZINC22_1772715812,EMOLS-id_316795141,MCULE-2682543684	188.132	UBTWQGPWURKTRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011345
OC(=O)c1n[nH]c2c1CCC2(F)F	PC-id_105442939,EMOLS-id_313728406	188.132	XUWLDHFVZIJNGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011346
O=C1c2cscc2C(=O)C1(F)F	SCHEMBL76198,PC-id_59787521	188.151	IKKUWSYSKJNWHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011347
O=C1c2sccc2C(=O)C1(F)F	PC-id_13539394,SCHEMBL10038368	188.151	NJEHIVAWLCEFPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011348
n1(CC(F)F)c2CCCc2c(O)n1	MCULE-8404788564,EMOLS-id_324385375	188.175	CSDWZIPYUXQDNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011349
OCc1nn(c2c1C(F)(F)CC2)C	PC-id_105442969	188.175	GGHPXYFLMBRZCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011350
OCC(F)(F)c1n[nH]c2CCCc12	EMOLS-id_314010680,MCULE-1362178479	188.175	MOSQQWWOMWNVHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011351
OC(C(F)F)c1n[nH]c2CCCc12	EMOLS-id_314011966,MCULE-6602996011	188.175	OIUNRGHCDFAVQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011352
c12cc(nn1CCN2CC(F)F)N	MCULE-9988347351,EMOLS-id_320441111	188.178	PNACABXIRMSNPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011353
c12c(N)cnn1CCN2CC(F)F	MCULE-4086367232,EMOLS-id_317863423	188.178	JNGYIYAAJWKUQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011354
NCC(c1nnc2n1CCC2)(F)F	EMOLS-id_96232396	188.178	URSYYUAXTJSGRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011355
C=Cc1c2c(c([nH]1)O)C(=NC2=O)C=C	PC-id_136941890	188.183	YZSSCFCGEUJGPB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011356
[CH]Cc1c2c(c([nH]1)O)C(=NC2=O)C[CH]	PC-id_135993591	188.183	NWMINKQYBAGMPB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011357
c1([nH]c2c(CCC2)n1)S(=O)(=O)O	MCULE-5987495995,EMOLS-id_50077580,PC-id_66490581	188.204	BRVAZUWRYSKBEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011358
O=c1n(C)[nH]c2c1CS(=O)(=O)C2	PC-id_105443011	188.204	YYYWSHFGOQZMCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011359
O=c1[nH]n(c2c1CS(=O)(=O)C2)C	PC-id_105443009	188.204	PWQNQSUZDLGRSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011360
OCc1cn2c(n1)S(=O)(=O)CC2	PC-id_18183097,SCHEMBL7174575	188.204	YGYVLHRWDBODQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011361
OCC1Cn2c(S1(=O)=O)ncc2	PC-id_140400993	188.204	ZJVKFWBPNZKCDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011362
OCC1CS(=O)(=O)c2n1ccn2	SCHEMBL8383411,PC-id_21218364	188.204	HKAIOGFONVOPAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011363
S1(=O)(=O)Cc2c(onc2CN)C1	PC-id_83483500	188.204	CTWDASFLYGQSET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011364
S1(=O)(=O)N=C([O-])c2sccc12	PC-id_71668772	188.204	XVCRMQNYJBQTPD-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-011365
C1Cn2c(cnc2N1)S(=O)(=O)N	SCHEMBL4758608,PC-id_136402245	188.208	QLJYSQUQNBRPCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011366
NN1Cc2c(C1)cn(n2)S(=O)O	PC-id_117884194	188.208	FCQOSPFNVAFHKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011367
NN1Cc2c(C1)cn(n2)S(=O)=O	SCHEMBL16479729	188.208	ZHXAXLBGMBOAPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011368
NS(=O)(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_97145250,MCULE-7347774361	188.208	LZMDARLVIMSQFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011369
S1(=O)(=O)CCn2nc(nc12)CN	PC-id_82655771	188.208	ARSLBRYVIIXVHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011370
c12CSCc1nn(CCF)c2O	EMOLS-id_324396888,MCULE-8913968210	188.223	YXLGCXBTBBVILH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011371
O=C1CS(=O)(=O)c2c1csc2	SCHEMBL17915911,PC-id_121475796	188.224	XUTPGZLVUJEBKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011372
CC(=O)c1c(C)n2CCCc2c1C#N	EMOLS-id_32444031,MCULE-5514064927,ZINC22_57218741,PC-id_50986292	188.226	POBLVNNSDVHAHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011373
CC1=NS(=O)(=O)c2c1ncs2	SCHEMBL8285760,PC-id_70333877	188.227	MYRUKTOJUPKBEP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011374
CC1=NS(=O)(=O)c2c1scn2	SCHEMBL8285766,PC-id_70333881	188.227	SBSTZSPOOGSTFI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011375
NC1=NS(=O)(=O)c2c1csc2	PC-id_14086566,SCHEMBL4618997	188.227	OAXMCGYTEIEDEV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011376
OC(=O)C1Cc2nnsc2S1	EMOLS-id_336493001	188.227	PGGSPJUJAUWNCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011377
s1c2NNSc2cc1C(=O)O	PC-id_53442612	188.227	ZUVVPOYEXVLEOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011378
CS(=O)(=O)n1c[n+]2c(n1)CCC2	PC-id_102105146	188.228	ZCFXPQQTVMZOJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011379
c1ccn(c1)NC1CCn2c1ncc2	EMOLS-id_265613774	188.229	VALHWHZMNPPYRF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-011380
c1(C(=N)N)c2CCCc2nn1CC#C	MCULE-5389246567,EMOLS-id_70118708,PC-id_121214360	188.229	FELFOWGEVWSMIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011381
FC1(F)Cc2c(C1)c(sc2C)C	SCHEMBL20892639,PC-id_138538780	188.238	RPAUXSXCWLKOPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011382
o1c2c(c(CCCCC)c1)C(=C)C=C2	PC-id_23586859	188.266	LEZRHUKXPWEQFA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011383
S1(=O)(=O)C(c2sccc2C1)C	PC-id_85617674	188.267	MPXUBELJTUTHGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011384
Cc1c(nc2n1CCC2)/C=C(/C)C=C	PC-id_134315746,SCHEMBL19936578	188.269	ZYHAISUPIVWETH-HJWRWDBZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011385
CC(C)Cn1nc2CCCc2c1C#C	EMOLS-id_324400223,MCULE-7633830035	188.269	WEZNSDAOJHUYPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011386
n12c(CCC1)cc(C(C)(C)C)c2C#N	PC-id_10631473	188.269	NMYUDQXBXNMRNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011387
n12c(C(CC1)C#N)cc(C(C)(C)C)c2	PC-id_3752314	188.269	IXUIJQHZQQUVFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011388
n12c([C@H](CC1)C#N)cc(C(C)(C)C)c2	PC-id_40521777	188.269	IXUIJQHZQQUVFF-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011389
n12c([C@@H](CC1)C#N)cc(C(C)(C)C)c2	PC-id_40521778	188.269	IXUIJQHZQQUVFF-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-011390
n1(c2CC(Cc2cc1C)(C)C)CC#N	PC-id_68096600,SCHEMBL10289838	188.269	VVQBHEVPFIQJAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011391
n1(c(c2C(CCc2c1C)(C)C#N)C)C	SCHEMBL11335358,PC-id_23456202	188.269	CZCADRVWYNWEHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011392
[nH]1c2c(c(C(C)(C)C#N)c1C)CCC2	PC-id_84770839	188.269	HNJPIYJUCRUXJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011393
CON1C(N)Sc2c1scc2	SCHEMBL5036938,PC-id_69288495	188.271	XUYVRUBHKLWUGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011394
S1(=c2c(=CS1)n(cc2N)C)O	PC-id_57002062	188.271	IMFLQUJRWXHIOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011395
C/C=Cc1c(C=C)sc2c1CC=C2	PC-id_144389101	188.289	PVUBXYZOIXEEOZ-UTCJRWHESA-N	00000011100000000000000010000000000000000000000000000000	25-01-011396
s1c2CC(Cc2sc1=S)C	PC-id_85950084	188.333	SLQBPXDCNQRUON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011397
s1sc2c(c1=S)CCC2C	PC-id_9899048,CHEMBL1173268	188.333	XOKGRDUFPUVMEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011398
s1sc(=S)c2CC(Cc12)C	PC-id_46839189	188.333	FMOJKTNJTYDXLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011399
c1(C(=O)O)nn2c(OCC2)c1Cl	PC-id_84039425,EMOLS-id_49184291,ZINC22_96510778,MCULE-8541400640	188.569	QCLLSLAZLNJFFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011400
Clc1c2OCC(n2nc1)C(=O)O	PC-id_84661716	188.569	MNNLHQPZLSSWFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011401
Clc1n2CCOc2nc1C(=O)O	PC-id_84014264	188.569	ZXYIBCZWDHSOJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011402
Clc1nc2OCCn2c1C(=O)O	PC-id_84014265	188.569	GUKPMPZKYFOZHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011403
Clc1nn2CCOc2c1C(=O)O	EMOLS-id_96147770,PC-id_84661715	188.569	FEASSCMVZMGSLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011404
Clc1sc2c(c1)C(=O)OC2=O	PC-id_49874992	188.588	QADJVZQESANIPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011405
O=C1OC(=O)c2c1c(Cl)sc2	PC-id_140900018	188.588	XKZDQYSDYMZFCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011406
Clc1c2OCCn2nc1CCO	PC-id_84732906	188.612	BLVDHIPYNARSIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011407
C1C(Cn2n1c(c(c2=O)N)N)Cl	PC-id_91193813	188.615	WCAUEOJTDMIZLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011408
c1(C=O)c2COCc2sc1Cl	MCULE-6694798326,EMOLS-id_331065376	188.631	BGKMVDPRVMSXLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011409
Clc1n2CCSc2nc1C=O	PC-id_83483596	188.635	JJIMBNJCVZOIGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011410
Clc1n2c(nc1C=O)CSC2	PC-id_84070181	188.635	LVVFIEMNJRKNIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011411
Clc1nc2SCCn2c1C=O	NSC315226,SPECS-id_AT-819/OC10953,CoCoCo_5595420,MDPI-id_18612,LI_185188,ZINC22_1571494,PC-id_329966,EMOLS-id_30487199,CNP0067341	188.635	PQCDIXSCXBHLHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011412
ClC1C([NH3+])c2c(scc2)C1=O	PC-id_73832762	188.655	CFNLTVHSKQVHTC-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-011413
Cl[C@@H]1[C@@H]([NH3+])c2c(scc2)C1=O	PC-id_21765192	188.655	CFNLTVHSKQVHTC-UHNVWZDZSA-O	00000010100000000000000010000000000000000000000000000000	25-01-011414
c12CCCc1sc(CO)c2Cl	EMOLS-id_330870351,PC-id_84770903,MCULE-7333586389	188.674	GNZAKBPCBPDUPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011415
c1(CO)c2CCCc2sc1Cl	MCULE-8968720455,EMOLS-id_331062055	188.674	ZARUUTHFMCDURA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011416
c12CSCc1nn(C)c2CCl	EMOLS-id_317871862,MCULE-6101131762	188.678	JWABOTAHQGBZMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011417
c1(CCl)c2CNCc2sc1N	EMOLS-id_331065644,MCULE-5889342018	188.678	LFYXAMMLWNMZMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011418
c1(CN)c2CNCc2sc1Cl	EMOLS-id_331067181,MCULE-2703683527	188.678	RRTJTAYQOOCUDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011419
CCn1nc2c(c1Cl)CSC2	PC-id_83193014,EMOLS-id_107148861	188.678	BCKJHCJYHDTQAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011420
ClCc1n2CCSc2nc1C	PC-id_10750145	188.678	RZIWRIUCZBMGGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011421
CN1CC2=CSC=C2S1(=O)=O	PC-id_154522429	188.992	HIYVHVXYRWGFQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011422
CSn1c(=O)n2CCSc2n1	PC-id_163948364	189.003	RXDJWZDFUFIXDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011423
Brc1oc2c(COC2)c1	PC-id_84770906	189.007	LMUFOMDIYGPXPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011424
Brc1occ2c1CCO2	PC-id_96625466	189.007	IZYGBEXJWPATEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011425
Brc1occ2c1OCC2	PC-id_96625467	189.007	IWCGWASJCOUUEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011426
Brc1cc2OCCn2n1	EMOLS-id_324042693	189.01	SUHGUINIUUUAAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011427
Brc1cn2c(n1)OCC2	PC-id_96625465	189.01	IPBHOULXYXUITA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011428
Brc1cnc2n1CCO2	PC-id_118989128	189.01	LDNCHQJPXJGFOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011429
Brc1cnn2CCOc12	EMOLS-id_317490906,PC-id_84039439,SCHEMBL19431969,MCULE-9261944502	189.01	XOXBTEVVYDCNOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011430
Brc1n[nH]c2c1COC2	PC-id_105443386	189.01	FXOYPAGBIAYKOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011431
Nc1nnc2n1N=[Se]=N2	MCULE-5249756061,EMOLS-id_317039184	189.037	PCHYRLIGNSNFJQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011432
[2H]CS(=O)(=O)N1C=C2CN(CC2=N1)[2H]	PC-id_153535309	189.054	BUJWKBIFOTURDW-PFUFQJKNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011433
n12c(CCB1C(C(C)C)(C)C)ccc2	PC-id_85737720	189.105	WRRXEBWXQFLACP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011434
FC1(F)c2[nH]c(cc2OC1)C(=O)O	SCHEMBL8163962,PC-id_57659834	189.116	YQIZVFBVQRIJCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011435
OC(=O)c1noc2c1CCC2(F)F	PC-id_105443393,EMOLS-id_313595044	189.116	XZXXRRWXSYMIIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011436
C1CC(C=C1)NC2CCN3C2=NC=C3	PC-id_164645444,MCULE-9494749981	189.127	ZEZYDCABEZEOPB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011437
CC(C)(C)c1nn2c(c1)CN=C2C=C	PC-id_163891969	189.127	XPFOYVQTVVAQRF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011438
FC(F)(F)c1ccc2C(=O)CCn12	EMOLS-id_336567573	189.135	GYZHXPIOCFHNLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011439
FC(F)(F)c1c[nH]c2CCC(=O)c12	EMOLS-id_337730449	189.135	MWBUXWWNNZGXNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011440
CC(C)C1=CC2=C(N1C(C)C)C=CC2	PC-id_162178996	189.152	ROESWAPUGJCXDK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011441
Cn1cc(c2c1CCC2)C(F)(F)F	PC-id_145769955	189.178	DYVCHPGPSDAWGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011442
C1Cn2c(cnc2N1)S(=O)(=O)O	PC-id_136364134,SCHEMBL4463693	189.192	QIQIOLOVQGEXQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011443
NS(=O)(=O)c1cnn2CCOc12	EMOLS-id_324137524	189.192	WYNXEBJDEXYCKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011444
S1(=O)(=O)Cc2n(N)c(=O)[nH]c2C1	PC-id_83483613	189.192	CDNSZHGNICVALL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011445
CCOC(=O)c1[nH]c2c(c1C)C=C=C2	SCHEMBL13255095,PC-id_59411386	189.211	FXVCCQOINZAVGV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011446
O=C1NS(=O)(=O)c2ccsc12	ZINC22_2385406,MCULE-9222571525,SCHEMBL5473961,PC-id_14086550,SPECS-id_AN-153/KC15802,EMOLS-id_29338879	189.212	XVCRMQNYJBQTPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011447
O=C1NS(=O)(=O)c2cscc12	EMOLS-id_300888575,SCHEMBL10545603,PC-id_12593672,MCULE-2375034539	189.212	RCGMVCCNAAVDBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011448
O=C1NS(=O)(=O)c2sccc12	EMOLS-id_207613614,PC-id_14154286,ZINC22_34238105,MCULE-1678167962,SPECS-id_AU-059/43515369,SCHEMBL5946028	189.212	UDQRIYPVPXJQCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011449
c1coc(c1)Cn1nc2c(c1)CNC2	PC-id_96625396	189.214	FBVRNXKJOYSPQP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-011450
C#CCCC(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_313763666,MCULE-4503224194	189.214	LLDRWMGNAHBRHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011451
C/C=N/c1oc2c(c1C#N)CN(C2)C	PC-id_58116898,SCHEMBL12908876	189.214	SYPURTJHHODBNS-KGVSQERTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011452
n1(CC2CC2)nc2c(COC2)c1C#N	MCULE-7167191728,EMOLS-id_324401500	189.214	DBXYOMXNIWZZNH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011453
c12CCCn1c(Cn1cccn1)nn2	PC-id_45602143,MCULE-8147076267,EMOLS-id_27336086,CoCoCo_6788364,ZINC22_35655657	189.217	JQACPBDZLGDDHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011454
n1[nH]cc(c1)NC1CCn2c1ncc2	EMOLS-id_265032171	189.217	YKIMKTODJGYJNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011455
o1c2[N+](=C(C(c2c(c1)C#N)(C)C)C)C	PC-id_85621209	189.234	PLZAKXRQJAHXMP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011456
CS(n1nc2c(c1)CNC2)(O)O	PC-id_144561551	189.235	PMINDCXDZOIUGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011457
S(C1=C(C(=N)n2c1ccc2)C#N)C	PC-id_12202855	189.237	HUKURTRAJNALJK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011458
c12CCCc1oc(CCC)c2CC#N	PC-id_83610362,MCULE-8486640652	189.254	PJKZHIJJEXDAIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011459
CC1CCc2ccc(/C=C/C(=O)C)n12	PC-id_44720277,EMOLS-id_34261	189.254	QQBHCVDSTPUHSP-GQCTYLIASA-N	00000010100000000000000010000000000000000000000000000000	25-01-011460
Cc1cn2c(c1)C=C(C2=O)C(C)(C)C	SCHEMBL19888127,PC-id_134274000	189.254	OETKVRNWEUTSHT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011461
CC(=C)Cc1cn2c(c1C)CCC2=O	PC-id_101107961	189.254	JKTXRUWRPNRZIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011462
CCCC/C=C/1Cn2c(C1=O)ccc2	PC-id_101478104	189.254	QXNKEXWVDWNCBH-UXBLZVDNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011463
o1c2c(CCC2)c(c1C(C)C)CC#N	PC-id_83610290	189.254	UORKHFZWUGNQHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011464
o1c2c(CCC2)c(c1C(C)(C)C)C#N	PC-id_83610489	189.254	OKVRPBDWWUIWMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011465
o1c2c(CCC2)c(C(C)(C)C#N)c1C	PC-id_84771214	189.254	GCCDXVQXLMPJDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011466
O=C(C=Cc1n2C(CCc2cc1)C)C	PC-id_71393369	189.254	QQBHCVDSTPUHSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011467
Cc1nsc2c1CS(=O)(=O)C2	PC-id_101989301	189.255	NTBBPTAWWSNBQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011468
CC1NS(=O)(=O)c2c1ccs2	PC-id_19738010,SCHEMBL9596856	189.255	IYDJYOVQMLJCJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011469
Cc1sc2c(n1)CS(=O)(=O)C2	SCHEMBL14907148,PC-id_15655016	189.255	XLEICCPLQLKECK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011470
CN1Cc2c(S1(=O)=O)ccs2	PC-id_89574864,SCHEMBL14959571	189.255	AOJYCEPIDHMPLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011471
S1(=O)(=O)C(c2scnc2C1)C	PC-id_15655020	189.255	RGFPTPCWLXWZTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011472
c12CCC(C)c1c(nn2C(C)C)C#N	EMOLS-id_331019263,MCULE-9922917472	189.257	AJTKNUHYWPCIHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011473
C1=CCC(C1)NC1CCn2c1ncc2	EMOLS-id_265648612	189.257	QFAUZXWNKAOFFT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011474
c1(C#N)c2C(C)CCc2n(CCC)n1	MCULE-3771995380,EMOLS-id_331020799	189.257	MPEBTNSSIMEREB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011475
c1(C#N)c2C(C)CCc2nn1C(C)C	EMOLS-id_331005374,MCULE-7292171571	189.257	WKPDEUARGCRCSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011476
c1(C#N)n(CCC)nc2CCC(C)c12	EMOLS-id_331002815,MCULE-1625102528	189.257	FIQGKQKBBOEUPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011477
C#CCCNC1CC(n2c1ncc2)C	EMOLS-id_265647714	189.257	QXIHWCSLTIKLMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011478
C#CCC(NC1CCn2c1ncc2)C	EMOLS-id_265648225	189.257	ZBRSQCPQTMLRNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011479
CC#CCNC1CC(n2c1ncc2)C	EMOLS-id_265648555	189.257	PEUGAUMTJFXHDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011480
CCC(NC1CCn2c1ncc2)C#C	EMOLS-id_265647500	189.257	HPAOSABVBQVPML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011481
n12nnc(c1CCC2)C#CCCCC	PC-id_71747303	189.257	UQJQZVWBQKSAPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011482
n1c2CCCc2c(CCN)n1CC#C	MCULE-1206492805,EMOLS-id_70118732,PC-id_121214369	189.257	ZVUSAJDAVBKIKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011483
N#Cc1c2CCCc2nn1C(C)(C)C	PC-id_105443864	189.257	IPSBMZXWYSLTSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011484
N#Cc1n(CC(C)C)nc2c1CCC2	PC-id_105443865	189.257	UNLRLMGNOUTCKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011485
N#Cc1nn(c2c1CCC2)C(C)(C)C	PC-id_105443860	189.257	PFEWIBCTHMDQCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011486
N#Cc1nn(c2c1CCC2)CC(C)C	PC-id_105443861	189.257	FAJSTRAORPRBGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011487
CC(C1=Cc2n(C1)cc(c2)C(C)C)C	SCHEMBL13086408,PC-id_59534149	189.297	YQBZVJQWBFDZAJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011488
CC(C1=CCc2c1n(cc2)C(C)C)C	SCHEMBL12960703,PC-id_88989065	189.297	ZOTAWDAQJBNOIG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011489
CC(C1=Cn2c(C1)cc(c2)C(C)C)C	SCHEMBL13086301,PC-id_59534150	189.297	KDWSAUXUTOELDR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011490
C/C=C(c1cc2n(c1CC)CCC2)/C	PC-id_144598243	189.297	NHURZHUCWPNTBN-WMZJFQQLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011491
CCCCc1c[nH]c2c1C=CC2(C)C	PC-id_144943873	189.297	DIKRAJYTXDTUTN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011492
n12c(C(C(=C1C)C)C)c(c(c2C)C)C	PC-id_20656978	189.297	SUXDRASZQNLUAP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011493
CSc1[s+]sc2c1CCC2	SPECS-id_AS-970/QB07863	189.341	PWCDGRLHWFNVSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011494
c12CNCc1nn(CCF)c2Cl	MCULE-7753082570,EMOLS-id_324340079	189.618	KWQILQIWUMTBDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011495
ClCc1nn2c(SCC2=O)n1	PC-id_82357922	189.623	VSXCCVVZIZYIKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011496
c1(CCl)c2COCc2sc1N	MCULE-6420061743,EMOLS-id_331060271	189.663	ZMFBFGUENNSTGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011497
c1(CN)c2COCc2sc1Cl	EMOLS-id_331065888,MCULE-4891926571	189.663	TWQIEBWZIUOSRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011498
c1(CO)c2CNCc2sc1Cl	EMOLS-id_331066925,MCULE-5288175365	189.663	BXFCYLWASQFRQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011499
CC1OCc2c1c(N)c(s2)Cl	PC-id_114749364,EMOLS-id_96203246	189.663	NFGJDYJUTTWZHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011500
Clc1sc2CCC(NO)c2c1	EMOLS-id_107706454,PC-id_82684311	189.663	ZXYNYDBTIXVHKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011501
Clc1sc2C(N)CC(O)c2c1	PC-id_84049403	189.663	XLHRDJLBNBMQET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011502
C([C@@H]1C2=C([C@@H](O1)S)OC(=O)O2)O	PC-id_153657568	189.994	YJHSGTPLIOIZLJ-MVHIGOERSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011503
Brc1noc2c1COC2	PC-id_72218285,SCHEMBL16415910	189.995	YVWLRTUQMKRINP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011504
Brc1nn2CCOc2n1	PC-id_84662355	189.998	FYFRYXNGJXUFKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011505
CC1=C2N(N=C1C)OS(=O)(=O)O2	PC-id_162369779	190.005	UOXVKPHJQXVSKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011506
C1C2=C(C=C1C(F)(F)F)SC=C2	PC-id_149798261	190.006	BMQCFUROLWWMHJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011507
C1C(C(c2cn(nc12)[AlH2])(F)F)F	PC-id_163686308	190.03	JPEBXDNTADDETL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011508
c1(nnc2n1[N][Se]N2)N	PC-id_137263456	190.045	MBHBJCLHGSTXBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011509
FC(F)(F)C1CC(=O)c2cn[nH]c12	EMOLS-id_324310370,PC-id_145864850	190.123	PGBCMSFELATMGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011510
FC(F)(F)c1n[nH]c2CCC(=O)c12	PC-id_83861318	190.123	WYSIWZCOGPXXBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011511
FC(F)(F)c1n2N=C(Cc2nn1)C	PC-id_22944551	190.126	QNXQVQOLHZGHBL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011512
CC(C)C1=CC2=C(C1)C=C(O2)C(C)C	PC-id_161646569	190.136	LAJVGMGWMFWGDY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011513
CC/C=C/1C(=C)N=C2N1C(CC2)(C)C	PC-id_155017660	190.147	LXJONYGIUTXAKF-UXBLZVDNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011514
CC(C)C1=CN2C=C(N=C2C1)C(C)C	PC-id_160821782	190.147	QLSUGSCRSABLAK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011515
CC(C)C1=C(N2C=NC=C2C1)C(C)C	PC-id_155097628	190.147	HNYYULFBGWTSMY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011516
CC(C)Cn1cc2C[C@@H](Cc2n1)C=C	PC-id_163725875	190.147	KVNCWRAAOBHKNN-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-011517
n1(CC(F)F)nc2c(COC2)c1O	MCULE-5960684032,EMOLS-id_324402771	190.147	IAXWGNVZKXXBNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011518
c1(CC(F)(F)F)c2CCCc2[nH]n1	EMOLS-id_316064777,MCULE-1105014082	190.166	FANWQMYZHFTQEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011519
c1(C(F)(F)F)c2CCCc2n(C)n1	MCULE-1755658283,EMOLS-id_70119173,SCHEMBL15730331,PC-id_90167781	190.166	POZKXHFTVFBMLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011520
CC1Cc2c(C1)[nH]nc2C(F)(F)F	PC-id_144505909	190.166	DDSXKEXNRGIHNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011521
Cn1c(c2CCCc2n1)C(F)(F)F	PC-id_90167567,SCHEMBL15730089	190.166	CARNBEVYJHSVCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011522
FC(F)(F)c1n(c2c(CNC2)c1)C	PC-id_83483745	190.166	IQUGYZNMVGGCHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011523
FC(F)(F)Cn1cc2CCCc2n1	EMOLS-id_324389465,MCULE-9176830610	190.166	VIZNCGKYEOTTNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011524
FC(F)(F)Cn1ncc2CCCc12	EMOLS-id_324385374,MCULE-6518332774	190.166	GAWIQDOLPRVFBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011525
FS(=O)(=O)c1cnc2CCCn12	MCULE-6476865805,EMOLS-id_208132331	190.195	JBPASRYGXIBJFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011526
FS(=O)(=O)c1[nH]nc2CCCc12	MCULE-8778254471,EMOLS-id_208133338	190.195	JHOINLQXQUVWOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011527
c1(C(=O)O)c2CCCc2nn1CC#C	PC-id_121214337,MCULE-8157113846,EMOLS-id_70118644	190.199	FWCSHWPPACVQEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011528
O=C1n2c(C(=C1)C(=O)N(C)C)ccc2	PC-id_42638377	190.199	SSFFTTFEIGLACK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011529
O=C1n2c(C(=O)C1=CN(C)C)ccc2	PC-id_49794005	190.199	RUVGBKUSLALSBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011530
OC(=O)C=CC=C1CCn2c1ncc2	EMOLS-id_304207400	190.199	DBRUXAIURSZPFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011531
O=C1NS(=O)(=O)c2csnc12	EMOLS-id_208098643,MCULE-8459639521	190.2	FDKVTEWWUMTTBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011532
O=C1NS(=O)(=O)c2scnc12	EMOLS-id_208098646,MCULE-6609686151	190.2	PFQSWDWBTONDJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011533
N#CC(C(=O)N1Cc2c(C1)c[nH]n2)C	EMOLS-id_313763154,MCULE-1087029946	190.202	SCYNPTQUISCJIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011534
O=C(N)c1c2n(CCC2)c(c1N)C#N	PC-id_13573944	190.202	CHSSOYGTODTDQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011535
O=C(N)c1n2c(CCC2)c(c1N)C#N	PC-id_59067780	190.202	YYARHHPWMYUBIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011536
c1(Cn2cncn2)nnc2CCCn12	MCULE-5550155797,EMOLS-id_313834643,ZINC22_1775965871	190.205	NDZJBRUKJHWWRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011537
FC(c1nn(c2c1CSC2)C)F	PC-id_145769738	190.214	ZCCSBYYYWDKCLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011538
NCc1nc2c(s1)C(CC2)(F)F	PC-id_105444152	190.214	PJDUBUMGGYSCFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011539
O=C1N[SH](=O)c2c1s(=O)cc2	SCHEMBL7255954	190.22	LYSNYKSGZWRJET-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011540
O=[SH]1NC(=O)c2c1s(=O)cc2	SCHEMBL6061855	190.22	QBXSCCMRYQLSPU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011541
O=C=Nc1sc2c(c1C#N)CCC2	SCHEMBL10711951,PC-id_20186636	190.222	MOZSRJGRCMNUJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011542
CCCCCc1coc2c1C(=O)C=C2	PC-id_20767752,SCHEMBL8310508	190.238	ZXWIAVOUOFEMOE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011543
Cc1c2c(=C(N(C2=O)C)C)c(=C)n1C	SCHEMBL15281092,PC-id_89822239	190.242	KWCXRELOGVFBNA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011544
CC(C)Cn1nc2COCc2c1C#C	EMOLS-id_324401757,MCULE-9547163208	190.242	MIDLOAKNWDELFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011545
CCN(CC)C1=CC(=O)n2cccc12	CoCoCo_5401099,PC-id_258388,ZINC22_1561748,NSC87247	190.242	OAPBNMOWKFMKIS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011546
n1(CC2CC2)nc2c(CCC2)c1C=O	EMOLS-id_324388701,MCULE-6211901542	190.242	HNWQRLQUBPTDGK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011547
O=C(C=Cc1nc(n2CCCc12)C)C	PC-id_85757374	190.242	FJMKBIXMHMCRRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011548
O=C(C(C)(C)C)c1nn2c(c1)CC=C2	PC-id_58252543	190.242	YWCYEBDZOGDDIX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011549
S1NC(OC)c2c1s[nH]c2=O	PC-id_6421785	190.243	KRTWUDPPNUDXGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011550
c12C(C)CCc1n(nc2N)CCC#N	EMOLS-id_330966770,MCULE-3372134295	190.245	BEYYQOKWXQFNRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011551
c12C(C)CCc1nn(CCC#N)c2N	MCULE-8825306964,EMOLS-id_331016868	190.245	MDDZRKZDFYEQDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011552
CC(C)Cc1c2NCCn2nc1C#N	PC-id_137234936	190.245	UCKSNEYTMHODIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011553
CC(C)(C)N1Cc2c(C1)[nH]nc2C#N	PC-id_89117489,SCHEMBL13562724	190.245	SYFOQVYMCGBJQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011554
CC(C)(C)n1nc2CNCc2c1C#N	MCULE-7252212221,EMOLS-id_324355176,PC-id_105444457	190.245	NKWKMWSDUPCVRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011555
CCCn1ncc2c1CN(C2)CC#N	PC-id_96625013	190.245	DXXFFPJQHJOANX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011556
C#CCNC(c1nnc2n1CCC2)C	PC-id_63952486,EMOLS-id_40150748	190.245	JJXUEYAVHWEUIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011557
N#Cc1n(CC(C)C)nc2c1CNC2	PC-id_105444459	190.245	GORKDTYJYSFZTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011558
N#Cc1nn(c2c1CNC2)C(C)(C)C	PC-id_105444448	190.245	JOHHMQXQCSINPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011559
N#Cc1nn(c2c1CN(C2)C)C(C)C	PC-id_105444449	190.245	YNXCUEOKGRKAHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011560
N#Cc1nn(c2c1CNC2)CC(C)C	PC-id_105444450	190.245	GYAFMUCCUDISKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011561
N#Cc1n(nc2c1CN(C2)C)C(C)C	PC-id_105444458	190.245	BJQDBYOBTXOIBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011562
N#CCCNC1CC(n2c1ncc2)C	EMOLS-id_265681060	190.245	LQMHVFIQIOBCPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011563
N#CC(CNC1CCn2c1ncc2)C	EMOLS-id_265681282	190.245	UXDJGBGMPLMICW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011564
C#CCC(=O)c1sc2c(c1)CCC2	EMOLS-id_96682939,PC-id_114962040	190.262	OFIAOJBQBOFHSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011565
N#CC=C(c1sc2c(c1)CCC2)N	PC-id_104011790,EMOLS-id_96173511	190.265	YBFPUUUACNQSRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011566
CCC1=C(c2c(occ2C1)CC)CC	PC-id_91224469	190.281	LYVQYRPMZXDRAI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011567
CCCC1=CCc2coc(c12)CCC	PC-id_90729241	190.281	KUPZXAOIIBIVGA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011568
c12C(C)CCc1nn(CC1CCC1)c2	EMOLS-id_331005606,MCULE-6491107264	190.285	UENUIRLSCSKMDL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011569
CC1Cc2c(C1NC1CC1)cn(c2)C	PC-id_112714921	190.285	JFVCRBGDIBMTDU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011570
CC1CCc2c1cnn2CC1CCC1	MCULE-5043501993,EMOLS-id_331018468	190.285	UWZPKTGHJIGLBG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011571
C(C1CCCC1)n1cc2CCCc2n1	EMOLS-id_324388185,MCULE-7240602535	190.285	DBOWEVCWEHMFHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011572
C(C1CCCC1)n1ncc2CCCc12	EMOLS-id_324384094,MCULE-5344107618	190.285	MXSCFOSQFCHVLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011573
CC(C1CC1)n1cc2C(C)CCc2n1	MCULE-8668001301,EMOLS-id_330998191	190.285	WZHYIHYTPYARLH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011574
CC(c1c(nc2n1C=CC2)C(C)C)C	SCHEMBL14006977,PC-id_59772487	190.285	MMLIHTXRTMJCFP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011575
CC[C@@H]1Cc2c(C1C)[nH]nc2C(=C)C	PC-id_143252478	190.285	ZSOCATKAHFWDHV-YGPZHTELSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011576
n12CC(=Cc1nc(c2)C(C)C)C(C)C	PC-id_58310222	190.285	PZEVZQBIPMZFMX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011577
n12c(ncc1C(C)C)CC(=C2)C(C)C	PC-id_58310277	190.285	RZDUHNSXWFKCKW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011578
NC1(CC1)CCc1ccc2n1CCC2	PC-id_105444601	190.285	LIDHGSYMQBKPTH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011579
NC1(CC1)CCc1cn2c(c1)CCC2	PC-id_105444602	190.285	DERMCZRBWQVSIN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011580
NC1(CC1)CCc1c[nH]c2c1CCC2	PC-id_105444600	190.285	BGSUWWMTMZMTMQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011581
CC(C)(C#C)c1cc2CCCc2s1	EMOLS-id_313838004,MCULE-1833901962	190.305	RTBLQGGINGLYRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011582
S=c1sc(=S)n2CCCn12	PC-id_71345341,EMOLS-id_336466574	190.31	IMYITMOFCBTJHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011583
Cc1cc2c(o1)C(=[Si](C)C)C(=C2)C	PC-id_69787958,SCHEMBL6461865	190.314	SICDEFMZHDDBAM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011584
Cc1oc2c(c1)C(=[Si](C)C)C(=C2)C	PC-id_69786479,SCHEMBL6456576	190.314	HOTXUYKKURZCKT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011585
c1(CO)c2COCc2sc1Cl	MCULE-1072184433,EMOLS-id_331065632	190.647	SXNPPIBRTNYDPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011586
Clc1nc2SCCn2c1CO	MDPI-id_18618,PC-id_333004,CNP0040433,SPECS-id_AT-819/OC08125,ZINC22_13409548,LI_187424,CoCoCo_5604880,EMOLS-id_5865885,NSC332709	190.651	SASBIBPLULQXGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011587
c12CSCc1scc2CCl	MCULE-1669173462,EMOLS-id_331060265	190.713	HHGNNXCRPVGDOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011588
SC1CCc2sc(Cl)cc12	EMOLS-id_276881996,MCULE-3353349242	190.713	GSZUBQZKJBZUBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011589
[B]N1CCn2c1cc(n2)NC(=O)NC	PC-id_88907337	190.998	AGSPMZALBKIKPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011590
C1C2=C(C=N1)SC(=C2)C(F)(F)F	PC-id_161852012	191.002	BGQAUGHTQVGLDN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011591
[B]C(N1C(=O)c2c(C1=O)csc2)C	PC-id_145562171	191.015	IMCHJURNLYYTKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011592
C1C=C(C2=C(C=CN21)C(=O)[O-])C(=O)[O-]	PC-id_153806071	191.023	KQMNUJGIMPSDKM-UHFFFAOYSA-L	00000011100000000000000010000000000000000000000000000000	25-01-011593
C1C=CN2C1=C(C=C2C(=O)[O-])C(=O)[O-]	PC-id_150708329	191.023	JNIIIVWSWSKTNW-UHFFFAOYSA-L	00000011100000000000000010000000000000000000000000000000	25-01-011594
C1C2=C(C(=O)N1)N(N=C2)C(F)(F)F	PC-id_153942475	191.031	XFRYTNOAXAIUNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011595
C1=C2N=NC(N2N=C1C(F)(F)F)N	PC-id_153802419	191.042	DJEPANMAXXKEFL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011596
C1C2=C(C(=CN2)C(=O)N=[N+]=[N-])C(=O)N1	PC-id_153956638	191.044	ZPSJJBJLXJXVQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011597
ClCc1nn2CCCc2c1Cl	SCHEMBL3798665,EMOLS-id_324139574,PC-id_68791967	191.058	BCWIXTNHIKVKGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011598
[2H]C([2H])([2H])S(=O)(=O)N1C=C2CN(CC2=N1)[2H]	PC-id_149837227	191.067	BUJWKBIFOTURDW-GUEYOVJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011599
C1C2=CN(N=C2CN1)CC(F)(F)F	PC-id_153529843	191.067	ZNHQHFCBGFQGMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011600
CC(C)C1=C(C2=C(S1)CCC2)C#N	PC-id_152971254	191.077	USNLALSZAFBGDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011601
CCCC1=C(C2=CC=CN2C1)C(=O)O	PC-id_153879392	191.095	WKJUWYQIFRMECV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011602
CC(C)OC(=O)C1=CCN2C1=CC=C2	PC-id_153897428	191.095	IQFVPUIEQUTATE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011603
CCOC(=O)C1=CC2=C(N1)C=C(C2)C	PC-id_165030400	191.095	XLTJDVOMJXPAIG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011604
CCOC(=O)CC1C=CN2C1=CC=C2	PC-id_153807182	191.095	AQDHWHSQSAYNJC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011605
CC(=O)OCCC1C=CN2C1=CC=C2	PC-id_153920687	191.095	NWUFYSDNZFNLPF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011606
FC(F)(F)c1noc2CCC(=O)c12	PC-id_83861264	191.107	WDEVTQVWZCTIED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011607
n12C(OC(=O)c1ccc2)C(F)(F)F	CT-id_2243060	191.107	VIHUFHBGNKUGJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011608
FC(F)(F)c1nn2c(N=NC2)c1N	PC-id_69732599,SCHEMBL6285382	191.114	NRWMIEOSIHEPKC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011609
CC1(CC2=CC(=NN2C1)CN=[N+]=[N-])C	PC-id_162349417	191.117	GDCRLJLZGXPRTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011610
CC1(CCC2=CC(=NN21)CN=[N+]=[N-])C	PC-id_162349486	191.117	OARQGNQPGTXHET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011611
O=CC1=Cc2n(C1=O)ccc2C(=O)O	PC-id_142058781	191.14	QIJVYTHEBQQZFL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011612
C1Cc2c(C1)n(cc2C(F)(F)F)O	PC-id_137399484,SCHEMBL20631118	191.15	ARLLUWSHDAPSCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011613
c12CNCc1c(C(F)(F)F)nn2C	ZINC22_20445712,PC-id_54772405,EMOLS-id_4365073,MCULE-2105158276,SCHEMBL3447407	191.154	BNQVSDXZRMOUKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011614
Cn1c2CNCc2nc1C(F)(F)F	PC-id_57931332,SCHEMBL3608982	191.154	WFUAKOKGJBNBLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011615
CN1Cc2c(C1)cnn2C(F)(F)F	SCHEMBL12835946,PC-id_68396488	191.154	BVYVFACJRJJJOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011616
CN1Cc2c(C1)nc([nH]2)C(F)(F)F	SCHEMBL16152044,PC-id_117633279	191.154	XQVUIOSSABYZCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011617
FC(c1n(nc2c1CNC2)C)(F)F	MCULE-7425412615,PC-id_83847134,SCHEMBL15730581	191.154	XQSKUBXETVEVNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011618
FC(Cn1ncc2c1CNC2)(F)F	SCHEMBL8105760,PC-id_59215135	191.154	LXOOPCIAAUCLDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011619
FC(F)(F)c1nc2n(CC(N)C2)c1	PC-id_82403736	191.154	STCOLCMSYNBIPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011620
FC(F)(F)c1n[nH]c2c1C(N)CC2	PC-id_83861627	191.154	SJTPAIFVCNLRIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011621
NC1Cc2n(C1)cnc2C(F)(F)F	PC-id_112488866	191.154	YUFLFXYPDKVEOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011622
Nc1nn(c2c1OS(=O)(=O)O2)C	PC-id_141088533	191.165	MCEUUTVQEDNXNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011623
CC(C)C1=CC2=C(N1C(C)C)CCC2	PC-id_161681260	191.167	XDOSUNGAMWZCGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011624
CCOC(=O)C1=Cc2cccn2C1=O	CoCoCo_5394451,NSC81372,LI_121626,PC-id_255680	191.183	GATNRQBLVUYTRL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011625
O=C1n2c(C(=C1C)C(=O)OC)ccc2	PC-id_42638542	191.183	ZATMDGFZIMLHJO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011626
O(Cc1c2n(cc1)C(=O)C=C2)C(=O)C	PC-id_10702871	191.183	BBBJRXAFGAMLAV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011627
O(C(=O)c1c2n(cc1)C(=O)C=C2)CC	PC-id_20768050	191.183	GSPWBIDRAAGGNF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011628
O(C(=O)c1c(n2c(c1)C=CC2=O)C)C	PC-id_11401264	191.183	ADZJMTHBALXNAI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011629
O(C(=O)c1n2c(cc1)C=CC2=O)CC	PC-id_10631560	191.183	YSARWZIYWOTCSC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011630
S1(=O)(=O)SC(=O)c2ncoc12	PC-id_59961258	191.185	GIEGMCLIISVNTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011631
C1Cc2c(C1CC(=O)O)c(n[nH]2)C#N	PC-id_89350704,SCHEMBL14485162	191.187	AMFPDCDAYUTYFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011632
C1Cc2c(C1)n(nc2C#N)CC(=O)O	SCHEMBL14487362,PC-id_86719789	191.187	CIQDUMBIHWFXEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011633
C#CCOC(=O)N1Cc2c(C1)c[nH]n2	MCULE-1812026495	191.187	GMKGTDOXTWKBHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011634
[C-]#[N+]c1nn(c2c1CCC2)CC(=O)O	PC-id_140641976	191.187	PVIZSCCKNOSMDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011635
C#CCN1C(=O)c2c(C1=O)csc2	EMOLS-id_114535108	191.207	WFYKPSAYQPLYTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011636
C=CCC1(CCn2c1ccc2)C(=O)O	SCHEMBL11133829,PC-id_70522847	191.226	XNUVWOMFZLWACA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011637
C=CCc1cn2c(c1)C(CC2)C(=O)O	PC-id_70500433,SCHEMBL11037041	191.226	NQTHKJJNNKIBFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011638
C=CCOC(=O)C1CCn2c1ccc2	SCHEMBL9675199,PC-id_67903828	191.226	CNZAQCPSEJBNCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011639
CCOC(=O)c1cc2c([nH]1)C(=CC2)C	SCHEMBL1005493,PC-id_66874062	191.226	UHRCUYPOFMOITI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011640
CCOC(=O)CC1=Cc2cccn2C1	PC-id_86245054	191.226	SRPCCXSXCYCJJF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011641
CCOC(=O)Cc1ccc2n1C=CC2	PC-id_141826422	191.226	ZLZUYLDARNEEPW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011642
COC(=O)C(C1C=Cn2c1ccc2)C	PC-id_140368723	191.226	QLJMIYVTYAJQEF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011643
COC(=O)CCc1ccc2n1CC=C2	PC-id_17990594,SCHEMBL9531341	191.226	JUOLFZWGNMQBKL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011644
o1c2c(CCC2)c(c1COC)CC#N	PC-id_83610064	191.226	MYCNJDYIFJKSEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011645
OC(=O)/C=C/1CC(n2c1ccc2)CC	PC-id_83636879	191.226	VWQUOWISJJBPBY-BQYQJAHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011646
OC(=O)/C=C/c1n2C(CCc2cc1)C	PC-id_83752562	191.226	WETCBYCGQDSAQB-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011647
c12C(C)CCc1n(nc2O)CCC#N	MCULE-3729073192,EMOLS-id_330957564	191.23	OIPCEWDKYOFLTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011648
c12C(C)CCc1nn(CCC#N)c2O	EMOLS-id_331009198,MCULE-7235057290	191.23	STMFGEJTXSWMRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011649
C1CC(C1)C(=O)c1nn2CCCc2n1	SCHEMBL20645950,PC-id_137412538	191.23	NWDSLOMRSGTCRD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011650
c1(C(=O)NC2CC2)c2CCCc2[nH]n1	EMOLS-id_179744475,PC-id_110388798,MCULE-3766461642	191.23	GIZSPSGKPAIFAK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011651
c1(C(=O)NC2CC2)cn2c(CCC2)n1	EMOLS-id_321297106,MCULE-2030673443	191.23	FCCOSSCGTRPERS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011652
c1(C(=O)NCC=C)c2CCCc2[nH]n1	EMOLS-id_179744478,MCULE-6651886370,PC-id_110388799	191.23	KTXVDPHJYUXCJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011653
c1(C(=O)NCC=C)cn2c(CCC2)n1	EMOLS-id_321297362,MCULE-2943980581	191.23	SDNIDNRALJSDIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011654
CC1CC1C(=O)c1nn2CCCc2n1	PC-id_137412387,SCHEMBL20645781	191.23	BEWRNQYRKQHEDE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011655
CC1CC1C(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_107797309,MCULE-6254376812	191.23	ZEFWHWFMDGBDPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011656
C/C(=C/C(=O)N1Cc2c(C1)c[nH]n2)/C	MCULE-4514545257,EMOLS-id_313765201	191.23	ZGFSZRHEUCDDGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011657
CC(=C)C(=O)Nc1nn2CCCc2c1	PC-id_91193011	191.23	GYJGMIIQDYOZBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011658
CC(C)(N=C=O)c1n[nH]c2CCCc12	EMOLS-id_313891154,MCULE-3213736073	191.23	SODNHWQRGKVMCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011659
C#CCONC1CC(n2c1ncc2)C	EMOLS-id_107410546	191.23	IMAVZVUYGRCUMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011660
C=CC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_257928387,MCULE-2186671966	191.23	KTUWUUFCTPPJBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011661
C=CC(=O)NCc1cc2n(n1)CCC2	MCULE-5023331985,ZINC22_888098153	191.23	FTFHYAMIOMAWDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011662
C=CC(=O)N[C@@H]1CCn2c(C)cnc12	ZINC22_2325899284	191.23	YYOAAUREGVZRPB-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011663
C=CC(=O)N[C@H]1CCn2c(C)cnc12	ZINC22_2325899285	191.23	YYOAAUREGVZRPB-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011664
N#Cc1c2COCc2nn1C(C)(C)C	PC-id_105445025	191.23	MBRXUUBDNPAVRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011665
N#Cc1n(CC(C)C)nc2c1COC2	PC-id_105445028	191.23	AFWSDUHQSJRZAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011666
N#Cc1nn(c2c1COC2)C(C)(C)C	PC-id_105445015	191.23	BPOIHWPBYIKVSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011667
N#Cc1nn(c2c1COC2)CC(C)C	PC-id_105445018	191.23	JIMMBPFJDUWTFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011668
O=C1N(CC2CC2)Cn2c1nc(c2)C	PC-id_140261606	191.23	KKFDEAZLDRLELX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011669
O=C(C1(C)CC1)N1Cc2c(C1)c[nH]n2	MCULE-2307463101	191.23	INCXTUZHHZLHPK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011670
O=C(c1n[nH]c2c1CCC2)N1CCC1	EMOLS-id_102345286	191.23	FJIJOYQYXBTSQR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011671
O=C(N1Cc2c(C1)c[nH]n2)C1CCC1	MCULE-8842135167	191.23	DXWHWCZQOSKJRW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011672
O=C(N1Cc2c(C1)c[nH]n2)CC1CC1	MCULE-1469845019	191.23	KEWJVDSWRNCKGR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011673
O=C(Nc1n[nH]c2c1CCC2)C1CC1	PC-id_9877597	191.23	CJWCVOOARDKHBR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011674
Cn1nc2CCCc2c1CCN=[N+]=[N-]	EMOLS-id_70118712,MCULE-9550277077,PC-id_121214362	191.233	HYSOWDRIBJUDPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011675
C#CCON=C1CCc2c1scc2	EMOLS-id_114540963	191.25	ABIFSEMFRJTINE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011676
N#CCC(=O)c1sc2c(c1)CCC2	EMOLS-id_37407372,PC-id_24697207	191.25	GWUCYLKZPQHYRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011677
c1(C#N)c2CCCc2sc1/N=C/N	MCULE-9084298669,TIMTEC425245,EMOLS-id_8852087,ZINC22_5290454,PC-id_4773882	191.253	RIBQZEHBGLYBHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011678
CC1Cc2c(C1NC1CC1)oc(c2)C	PC-id_112714968	191.269	HQXZHAUPWBPGFL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011679
CC(c1coc2c1C(N=C2)C(C)C)C	SCHEMBL12960737,PC-id_88989075	191.269	VKXUENPQKJXTPP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011680
CC(C)CC1CCc2ccc(C=O)n12	PC-id_44719958,EMOLS-id_32966	191.269	PPXMRWPPQQTUDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011681
NC1(CCc2oc3c(c2)CCC3)CC1	PC-id_105445477	191.269	HMUPUQSMYLSCGX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011682
o1c2CC(C)C(NC3CC3)c2cc1C	MCULE-8339184337,PC-id_112714971	191.269	SZTSCUFITBLUSW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011683
o1c2c(c(CNC3CC3)c1C)CCC2	PC-id_83610124	191.269	OGGJRSIWBKVBRA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011684
o1c2c(C(NC3CC3)CC2)cc1CC	PC-id_83907423	191.269	IJPUBKGUJYXRAO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011685
o1c2C(NC3CC3)CCc2cc1CC	PC-id_83907422	191.269	NUWRIMVSQDUYOH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011686
O=C1c2c(n(C(C)(C)C)c(c2)C)CC1	PC-id_68893736,SCHEMBL4051593	191.269	SMOARBXDAQYHEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011687
O=C1c2c(n(c(C(C)(C)C)c2)C)CC1	PC-id_83818057	191.269	JQXFDWRSDGXWDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011688
O=CCc1c(C)cc2n1CC(C2)(C)C	PC-id_142968192	191.269	KWDNVGZBXOJJOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011689
C1CC(C1)CNC1CCn2c1ncc2	EMOLS-id_265736283	191.273	ADSYXJPGBOXDLO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011690
C1CCC(C1)Cn1ncc2c1CNC2	SCHEMBL9923655,PC-id_67966735	191.273	URNFBSFFBLVRLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011691
C1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_265736127	191.273	KPVWIGRRFZOWLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011692
C1CCN(C1)Cc1nc2c([nH]1)CCC2	PC-id_91208200	191.273	QVVPHSLOPLAFJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011693
c1(CNC2CC2)c2CCCc2nn1C	EMOLS-id_265725334,ZINC22_686030740,MCULE-9383876797,PC-id_155974220	191.273	FZALTMYWMSRYAG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011694
CC1Cc2c(C1NC1CC1)c([nH]n2)C	PC-id_112715003	191.273	CRNHIDNHRVHQNT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011695
CC1Cc2c(C1NC1CC1)cn(n2)C	PC-id_112715005	191.273	RKIJTMKWXWXKHH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011696
CC1Cc2c(C1NC1CC1)cnn2C	PC-id_112715006	191.273	DQHJLGJSBKTXHT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011697
CC1CC(C1)NC1CCn2c1ncc2	EMOLS-id_265733338	191.273	KINMXYMWZDXDOV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011698
CC1CCc2c1c(N)nn2CC1CC1	MCULE-9440411227,EMOLS-id_330967024	191.273	OOROPQYGLOMBOO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011699
CC1CCc2nn(CC3CC3)c(N)c12	MCULE-2363235318,EMOLS-id_331017378	191.273	BPZDUOYZJGAVSD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011700
CC1(C)CCc2c1n[nH]c2NC1CC1	PC-id_79863374,EMOLS-id_42571363	191.273	CIDTYMALWMGGEP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011701
C(C1CCCN1)c1n[nH]c2CCCc12	PC-id_83847157,MCULE-9984535674,EMOLS-id_313913938	191.273	DXZDYKZNKPXHGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011702
C(C1CCNC1)c1n[nH]c2CCCc12	PC-id_83847159,MCULE-8486218084,EMOLS-id_313913682	191.273	ORKLRDUXHXHUQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011703
CC1(CNC2CCn3c2ncc3)CC1	EMOLS-id_265733522	191.273	RMOCHXZMEWNRQR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011704
CCC1CCc2c1[nH]nc2NC1CC1	PC-id_116177043,EMOLS-id_107830928	191.273	AOTRVPMPHVWWAB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011705
CC(c1c(nc2n1N=CC2)C(C)C)C	SCHEMBL14006969,PC-id_59772486	191.273	UGWRUZSFLKJOBB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011706
CC(C1N=Cn2c1ncc2C(C)C)C	PC-id_89446976,SCHEMBL14788104	191.273	BJTMRUANMYVFFL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011707
CC/C=c
/nc2n(/c1=C/C)CCN2C	PC-id_141790735	191.273	MCKOEDBSMAWIKW-TXFIJWAUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011708
CCC(CC1=Nc2c(C1)nc[nH]2)CC	PC-id_69109518,SCHEMBL4599163	191.273	ZITPDAJRUSRDDP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011709
CC(=C)CNC1CC(n2c1ncc2)C	EMOLS-id_265733068	191.273	OPOFGLPYXVDUDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011710
CC(=CCNC1CCn2c1ncc2)C	EMOLS-id_265735948	191.273	STTDANARFHWHDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011711
CC=CCNC1CC(n2c1ncc2)C	EMOLS-id_304154684	191.273	DILPALHFDADHJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011712
CC(n1nc2c(c1N)CCC2)C1CC1	PC-id_65348455,EMOLS-id_41192177	191.273	XYPXWJHCNDGAPF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011713
CCNc1c2CCCc2nn1C(=C)C	PC-id_58824967,SCHEMBL13145653	191.273	MUYMXEMPRLTVIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011714
CCNc1nn(c2c1CCC2)C(=C)C	PC-id_58824825,SCHEMBL13145657	191.273	VKXOKKGAFDZDKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011715
CNC1(Cc2n[nH]c3CCCc23)CC1	EMOLS-id_313871697,MCULE-9607277743	191.273	UERWHRIAFQAIPY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011716
C/N=C/c1nn(c2c1CCC2)C(C)C	SCHEMBL18854024	191.273	FKRIIIJRPUHRHU-KPKJPENVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011717
n12C(=C(C(C)(C)C)Cc1nnc2C)C	PC-id_86192783	191.273	VOEWQRMBIPDPHZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011718
n12c(ncc1CCC2)C(C1CC1)CN	PC-id_82656342	191.273	GFCNVAXSQXCHDI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011719
n12c(ncc1CCC2)CC1NCCC1	PC-id_82656327	191.273	CUILYRFTUHDPCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011720
n12c(nc(C(N)CC3CC3)c1)CCC2	PC-id_82403185	191.273	LPDCZPLSDYWGFO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011721
n12nc(C(C3CC3)CN)cc1CCC2	PC-id_82656343	191.273	HXHRUSVSFASHLA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011722
n1(CC2CC2)c2CCCc2c(CN)n1	EMOLS-id_324388948,MCULE-1429217246	191.273	AVSFRJBSHUFGNO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011723
n1(CC2CC2)c(CN)c2c(CCC2)n1	MCULE-9000034358,EMOLS-id_70118680,PC-id_121214351	191.273	ONKYXOXEGIORTC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011724
N1C(CCC1)Cc1nn2c(CCC2)c1	PC-id_82656328	191.273	UXUGWLDMAIELLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011725
N(C1CC1)C1CCc2n(nc(c12)C)C	PC-id_83907432	191.273	MNCFCUFLJWUJPI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011726
N(C1CC1)C1CCc2nn(c(c12)C)C	PC-id_83907433	191.273	AUTREKIPYCRGPY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011727
NC1(CC1)CCc1cn2c(n1)CCC2	PC-id_105445515	191.273	XFSUTZUNHOZGAE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011728
NC1(CC1)CCc1cnc2n1CCC2	PC-id_105445516	191.273	GHFKLYQQLZTSEM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011729
NC1(CC1)CCc1ncc2n1CCC2	PC-id_105445521	191.273	ZTGXRIYWBFXAAY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011730
NC1(CC1)CCc1nn2c(c1)CCC2	PC-id_105445520	191.273	DNJIXBJPKBXWQE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011731
NC1(CCc2n[nH]c3CCCc23)CC1	PC-id_105445524,MCULE-1486981970,EMOLS-id_313881689	191.273	LOSZQFBWUNYSQL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011732
N(CC1CC1)Cc1n[nH]c2c1CCC2	EMOLS-id_38281131,PC-id_61395263	191.273	ISSHJCHLYRFPCV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011733
NCC1(Cc2n[nH]c3CCCc23)CC1	EMOLS-id_313882457,MCULE-9409874210	191.273	QVVLPSLLANOCAC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011734
NC(c1ccn2c1N(C)CC2)C1CC1	PC-id_112488830	191.273	ZUGGAZPWZHFCHD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011735
[nH]1nc2c(c1CC1CC1)CCC2CN	PC-id_82403164	191.273	RBMGESDOBIDSKW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011736
[nH]1nc(CC2CC2)c2CC(Cc12)CN	PC-id_82403165	191.273	DREMWZLGHIGAHH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011737
C#CCC(c1sc2c(c1)CCC2)N	PC-id_114977093,EMOLS-id_96676968	191.293	QKNCMJDGPBNMEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011738
CC(C)(C#N)c1cc2CCCc2s1	EMOLS-id_313850047,MCULE-9208361643	191.293	LXXRPUGMKAHYQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011739
CC#CCNC1CCc2c1scc2	EMOLS-id_96724056	191.293	VHBSPLUHOPDBOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011740
C#CCNCc1sc2c(c1)CCC2	PC-id_62141443,EMOLS-id_38804664	191.293	SVCSSRXOZYVIEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011741
CC([N+]1=CCc2c1ccn2C(C)C)C	PC-id_145839120	191.293	PQGQGAGSTCRZNA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011742
CNC(c1sc2c(c1)CCC2)C#C	PC-id_104995329,EMOLS-id_96689424	191.293	XXICQGOKTPUQRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011743
[N+]1(=Cc2n(C1)ccc2)CCCCCC	PC-id_23380184	191.293	RWNUFJIOIYOBQU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011744
N#CCc1sc2c(c1)CC(C2)CC	SCHEMBL11530334,PC-id_21317986	191.293	MMVVRRWBDWNHLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011745
s1c2c(CCC2)c(c1CC[N+]#[C-])C	PC-id_83484064	191.293	OYYXSIDAGUOSBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011746
s1c2c(N(/C(=C/[C]C)/C2)C)cc1C	PC-id_59893294	191.293	UHBMPXQTUDVOIS-WEVVVXLNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011747
s1c2c(N(C(=C[C]C)C2)C)cc1C	PC-id_72589695	191.293	UHBMPXQTUDVOIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011748
s1c2N(/C(=C/[C]C)/Cc2cc1C)C	PC-id_59893238	191.293	YXQXBFPVLJGVGV-BJMVGYQFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011749
s1c2N(C(=C[C]C)Cc2cc1C)C	PC-id_72589678	191.293	YXQXBFPVLJGVGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011750
CC(c1cc2c(n1C)CC(C2)(C)C)C	PC-id_140930330	191.313	POBZPVRIDOUFRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011751
CCc1c(c(c2n1CC(C2)(C)C)C)C	PC-id_134557887,SCHEMBL20206488	191.313	ZULQVNLFVKODPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011752
n12C(CCc1cc(c2)C(C)(C)C)(C)C	PC-id_85645850	191.313	FJGPEJWONFVEAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011753
n1(c2c(C(CC2)(C)C)cc1)CCCC	PC-id_15442480	191.313	QANKOHNMHASORC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011754
n1(CCCCCC)cc2c(CCC2)c1	PC-id_45098661	191.313	HSZVJXRVEOGJAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011755
[nH]1c(c2C(CC(c2c1C)(C)C)(C)C)C	PC-id_12369111	191.313	ZCIUTCPGYAVHNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011756
CC1=Cc2c(C1)ccn2[Si](C)(C)C	PC-id_17911191,SCHEMBL7033552	191.345	UIYZWJBBYJTCIZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011757
[Si](C1n2c(C(=C1)C)ccc2)(C)(C)C	PC-id_86202885	191.345	ICMNJSXURNXSAG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011758
[Si](c1n2c(C(=CC2)C)cc1)(C)(C)C	PC-id_86202887	191.345	UNWCZBKFEJQIKB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011759
C[C@@H]1Cc2c(C1(F)F)[nH]nc2Cl	PC-id_164106265	192.027	XTANCMQVKSNASU-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011760
CC1=C2CCC(C2=C(N1C)C)C(=O)N	PC-id_154276313	192.126	YTNQSNGIFRBDKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011762
CC(=O)C1=C2CCC(C2=CN1C)NC	PC-id_153398300	192.126	QABXCCPTZGAJHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011763
c12c(CCC1C(F)(F)F)[nH][nH]c2=O	EMOLS-id_320434706,MCULE-7171908993	192.138	IPDVIPYWFCNTGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011764
c12CC(Cc1[nH][nH]c2=O)C(F)(F)F	MCULE-9871751555,EMOLS-id_320434962	192.138	OTZKBAKLQGDJLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011765
Cn1c2c(COC2)c(n1)C(F)(F)F	PC-id_90167795,SCHEMBL15730346	192.138	CVBKEVOCCLHOTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011766
Cn1c(c2COCc2n1)C(F)(F)F	SCHEMBL15730083,PC-id_90167562	192.138	FNTXQXOSLYYNEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011767
FC(F)(F)c1noc2c1C(N)CC2	PC-id_83861465	192.138	HBFXSGAFEBDCQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011768
FC(F)(F)c1oc2C(NCc2n1)C	PC-id_82373578	192.138	YIYNHJTWLWDMOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011769
FC(F)(F)Cn1cc2COCc2n1	MCULE-6989249128,EMOLS-id_324402770	192.138	VUUGBOHCABONRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011770
c1(C(F)(F)F)nnc2C(CCn12)N	PC-id_82403057,EMOLS-id_49181720,MCULE-2114305260	192.142	QUMTYTONAKJXNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011771
N[C@@H]1CCn2c1nnc2C(F)(F)F	PC-id_95935212,ZINC22_74271114	192.142	QUMTYTONAKJXNP-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011772
N[C@H]1CCn2c1nnc2C(F)(F)F	PC-id_95935213,ZINC22_74271117	192.142	QUMTYTONAKJXNP-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-011773
CC(C)N1C2=C(C=N1)[N+](=CC2)C(C)C	PC-id_161781610	192.15	LQPUGOXDNUNZHY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011774
Nc1nn(c2c1OS(=O)(=O)O2)N	PC-id_145824588	192.153	GHATUUCBDVEONC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011775
CC(C)C1=NN(C2=C1CCC2)C(C)C	PC-id_160612982	192.163	SXBURLYAEYMBMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011776
CCCC(C)(C)C1=NC2=C(N1)CCC2	PC-id_155160377	192.163	FOYLXLUNKIDZRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011777
CC1N=Nc2c(c(nn12)C=C=O)OC	PC-id_87403058,SCHEMBL2540388	192.175	LSAHQDJRCZIXLO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011778
N#CCN1C(=O)c2c(C1=O)csc2	EMOLS-id_114547431	192.195	HTLSSJVKMCJWRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011779
CC(=C)C(=O)OC1CCc2c1occ2	PC-id_90261973,SCHEMBL15850968	192.211	ICKHANYPAMZJQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011780
o1c2c(CCC2)c(c1C)/C=C/C(=O)O	PC-id_83610187	192.211	YLKCJXXLFBSOGU-AATRIKPKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011781
CC1=NC(=O)c2c([nH]c(c12)O)C(C)C	PC-id_136600015	192.214	AHBPNXLYBMCLMW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011782
CCc1c2c(c([nH]1)O)C(=NC2=O)CC	PC-id_136018094	192.214	XDMXSUSAQCOQFA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011783
CCC1=NC(=O)n2c1c(c(c2O)C)C	PC-id_136736145	192.214	YPMICIRREOJVCS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011784
CCC(=C1CCn2c1ncc2)C(=O)O	MCULE-3161498783	192.214	VEBZMOQXVSWQGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011785
CC/C(=C/1CCn2ccnc12)/C(=O)O	EMOLS-id_195320531	192.214	VEBZMOQXVSWQGW-FPLPWBNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011786
CCn1c(c2c(c1O)C(=NC2=O)C)C	PC-id_137154512	192.214	HKZLEVCSIFVTCA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011787
CCOC(=O)C=C1CCn2c1ncc2	PC-id_139706449	192.214	YHXWLLAAKBHXOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011788
COC(=O)C=C1CC(n2c1ncc2)C	EMOLS-id_114549517	192.214	CXBQXRZKXTZFNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011789
n1(CC2CC2)nc2c(COC2)c1C=O	MCULE-6532760622,EMOLS-id_324402263	192.214	INBZXSDSNRPCQW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011790
NC(=O)c1c[nH]c2c1CC(C2=O)(C)C	PC-id_142433464	192.214	QDDJFMFPDAODFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011791
[O-]C1=C(C(=O)n2[n+]1c(c(c2C)C)C)C	PC-id_21043338	192.214	XDDMLRGMPPSQBY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011792
O=C1N(Cc2c1[nH]cc2)C(C)C(=O)C	PC-id_54142903	192.214	OCICHIRPCCZIBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011793
O=C1NCc2n(c(c(c12)C)C(=O)C)C	PC-id_82402882	192.214	ZTFKPCSCMDZPIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011794
OC(=O)c1n(nc2c1CCC2)CC=C	PC-id_82281510	192.214	RCIQURCOZCGICC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011795
OC(=O)c1nn(c2CCCc12)CC=C	PC-id_82281512	192.214	BOIKAIAMBUSEDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011796
OC(=O)C(=C1CC(n2c1ncc2)C)C	EMOLS-id_114549628	192.214	FQWHFTKUGRKCCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011797
c1(C(=O)NC2CC2)[nH]nc2CNCc12	PC-id_97619430,MCULE-4481665942,EMOLS-id_323944130,EMOLS-id_49188859,ZINC22_96516092	192.218	VVSBJVOGKRGBCI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011798
CC1CC(c2n1ncn2)NC(=O)C=C	MCULE-4453002102	192.218	PAYXWGQPICVMLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011799
CCCC1=Nc2n(C1)cnc2C(=O)N	PC-id_69959539,SCHEMBL7008964	192.218	PUPGWWMXRVTDSW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011800
C=CCNC(=O)N1Cc2c(C1)c[nH]n2	MCULE-9634907341	192.218	CUSBPLIUQVIACK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011801
CCN(C(=O)n1cc2c(n1)CN=C2)C	PC-id_141442911	192.218	SHLABBLYSZKIGY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-011802
NCC=CC(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_313762386,MCULE-4097581836	192.218	KJKRAVQMQBPDIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011803
O=C(C1(N)CC1)N1Cc2c(C1)c[nH]n2	MCULE-6290334453,EMOLS-id_313762642	192.218	KTUUQGOREKMUPL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011804
O=C(N1Cc2c(C1)c[nH]n2)C1CCN1	MCULE-4542659267	192.218	HOFAIROPAGVRJB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011805
O=C(N1Cc2c(C1)c[nH]n2)NC1CC1	MCULE-1298702056	192.218	XQGWXNNZDBAPEJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011806
O=C(N1Cc2c(C1)cn[nH]2)C1CNC1	MCULE-5410915870,EMOLS-id_107334580	192.218	JZDAQUHPHMCEGN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011807
O=C(N1Cc2c([nH]nc2N)C1)C1CC1	PC-id_84663935	192.218	RZDWXMFQQGZPNW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011808
NC(=N)NN=C1CC(n2c1ncc2)C	EMOLS-id_107260444	192.221	DXLGZESCRNFIHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011809
OC(=O)C#Cc1sc2c(c1)CCC2	PC-id_64533967,EMOLS-id_40596288	192.234	FRURXSFBUHEZHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011810
C#CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_114553067	192.238	JLYHARPENDYFKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011811
N#Cc1c(sc2c1CCC2)C(=O)N	PC-id_21886017,SCHEMBL2644940	192.238	KVKCWRRRGSZDQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011812
N#CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_42100772,PC-id_79195170	192.238	CKTZMBFXVWTPFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011813
O=CNc1sc2c(c1C#N)CCC2	EMOLS-id_40910127,PC-id_64992533	192.238	ALMYXVRFVLVSCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011814
o1c2c(CCC2)c(c1C(C)(C)C)C=O	PC-id_83610490	192.254	DMKYRVVCIUAMJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011815
o1c2c(CCC2)c(c1C(C)C)C(=O)C	PC-id_83610336	192.254	NXAUDMFFDHCFQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011816
o1c2c(CCC2)c(c1CCC)C(=O)C	PC-id_83610408	192.254	JKCLMXMDCHUKGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011817
c12CCC(C)c1c(nn2C(C)C)C=O	EMOLS-id_331003900,MCULE-8843854887	192.258	HHFKAXZYKFWTPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011818
c12CCC(=O)c1c(nn2C(C)C)CC	PC-id_112711014,MCULE-9065735559	192.258	IBIKNZKENYGHQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011819
c1(C=O)c2C(C)CCc2nn1C(C)C	MCULE-8606325157,EMOLS-id_330988988	192.258	PKEDBGHZJGHIFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011820
C1CO[C@H](C1)Cn1nc2c(c1)CCC2	PC-id_141232565	192.258	USQWIEUIWPBJFV-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011821
CC1Cc2c(C1NC1CC1)c(no2)C	PC-id_112715062	192.258	QSYYVXUDHKFJKO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011822
CC1Cc2c(C1=O)c(n(n2)C)C(C)C	PC-id_112715072	192.258	NPVNXEUZVDSSAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011823
CC1Cc2c(C1=O)c(nn2C)C(C)C	PC-id_112715073	192.258	RQVKDKYZILINOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011824
CC1CCc2c1c(O)nn2CC1CC1	EMOLS-id_330957818,MCULE-1105003250	192.258	DVNUEXQBWFOVRP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011825
CC1CCc2c1onc2CNC1CC1	EMOLS-id_265773724,PC-id_80462368	192.258	XFJZLVBFMJBQGY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011826
Cc1ccc2n1C(=O)N(C2)C(C)(C)C	SCHEMBL803451,PC-id_58101653	192.258	IOMZLTFVRPPXQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011827
CC1CCc2nn(CC3CC3)c(O)c12	MCULE-2304146717,EMOLS-id_331009452	192.258	YRZXEHFTFCSBGW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011828
C(C1CCCC1)n1cc2COCc2n1	EMOLS-id_324401490,MCULE-7642236877	192.258	XKZKXNCKYHLSGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011829
CC1NC(=O)c2c1[nH]c(c2)C(C)(C)C	SCHEMBL17268381,PC-id_118520362	192.258	RVXARWFNUFRKSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011830
Cc1nn(c2CC(=O)Cc12)C(C)(C)C	EMOLS-id_337959196	192.258	SMMAUPVTLVLKKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011831
CC(c1nn(c2c1CCC2)C(=O)C)C	PC-id_138514729,SCHEMBL20866457	192.258	CDQKNUZNHKHNIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011832
CCc1nn(C(C)C)c2CC(=O)Cc12	EMOLS-id_337959964	192.258	WXJXYKFLKZSYEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011833
CC(C)(C)n1nc2CCCc2c1C=O	EMOLS-id_178071719,PC-id_105446421,MCULE-8633845990	192.258	XUJZBTTZPPLXEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011834
CC(C)Cn1nc(C=O)c2CCCc12	EMOLS-id_324388691,MCULE-8443129418,PC-id_105446418	192.258	LWMKIOOUMCBJJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011835
CCCn1nc2CCC(C)c2c1C=O	MCULE-3414371365,EMOLS-id_330986429	192.258	FMDSVIXGHMUDMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011836
CCCn1nc(C=O)c2C(C)CCc12	EMOLS-id_331005436,MCULE-8959381872	192.258	OKZSXLRIYNGGTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011837
CCn1nc2c(c1C(C)C)C(=O)CC2	PC-id_142345846	192.258	DESTWTDFFYAIJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011838
CC(n1nc2c(c1O)CCC2)C1CC1	EMOLS-id_41629496	192.258	CBQDHUPPRFEPNS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011839
CC(=O)C1Cc2c(C1)n(nc2)C(C)C	PC-id_144972823	192.258	LMVLYIGGUYBHRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011840
CN1Cc2c(C1C)c(c([nH]2)C(=O)C)C	PC-id_112488765	192.258	OQYRVIFPOYLBLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011841
CN(CCC1Cn2c(C1=O)ccc2)C	SCHEMBL8829539,PC-id_53809388	192.258	FNZRPPHGUQOISD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011842
n1(CC2CC2)c(CO)c2c(CCC2)n1	PC-id_121214344,MCULE-8160743952,EMOLS-id_70118660	192.258	BIDOSMSPXJULOJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011843
n1(CC2CCC2)c2CCCc2c(O)n1	EMOLS-id_324384095,MCULE-7335208109	192.258	LYGSXRIIVQWPTM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011844
NC1(CC1)CCc1ccc2n1CCO2	PC-id_105446407	192.258	XNSGRLGNJOPSAW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011845
NC1(CC1)CCc1ccn2c1OCC2	PC-id_105446409	192.258	MRZHDAZCFHKTAF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011846
NC1(CC1)CCc1cn2c(c1)OCC2	PC-id_105446408	192.258	DXWGOOAIAFLFHR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011847
NC(=O)C1(C)CC(c2c1c[nH]c2)(C)C	PC-id_70575147,SCHEMBL11379396	192.258	XUQXACBPEUETDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011848
o1c2c(CCC2)c(c1C(C)C)C(=N)N	PC-id_83610287	192.258	XBKXJRKXKFSTFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011849
o1c2c(CCC2)c(c1CCC)C(=N)N	PC-id_83610359	192.258	DYVLCCDQJZCSQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011850
O1c2n(CC1)ccc2C(N)CC1CC1	PC-id_82402622	192.258	FHMZUWPUGUFWFW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011851
O1c2n(c(C(N)CC3CC3)cc2)CC1	PC-id_82402621	192.258	RKSJKSQUFCJFMP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011852
o1nc2c(c1CC1CCNC1)CCC2	PC-id_83847238	192.258	DAKIWNLSVIRJDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011853
o1nc2c(c1CC1NCCC1)CCC2	PC-id_83847236	192.258	JPFSXNYRNJYXTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011854
O=C1c2c(nn(c2CC1)C)C(C)(C)C	PC-id_83861302	192.258	FAZFTOVCGABJRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011855
O=C1CC(c2c1c(C(C)C)n(n2)C)C	PC-id_142345825	192.258	LLCHZGAYOAMSFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011856
OC1(CCc2n[nH]c3CCCc23)CC1	MCULE-6183631134,EMOLS-id_313870417	192.258	ULOZGOPRTPMIKD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011857
OC1CN(C1)Cc1cn2c(CCC2)c1	PC-id_82402549	192.258	AKHKKDURTMKXGQ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-011858
O=C1N(Cc2n1ccc2)CC(C)(C)C	SCHEMBL11947806,PC-id_58101673	192.258	NRPCQPNDJHTUFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011859
O=c1n([nH]c2c1CCC2)C(C1CC1)C	PC-id_66022738	192.258	PBRBVMFTVCFBGP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011860
O=C(c1c2c([nH]c1C)CCC2)CCN	PC-id_84772461	192.258	XUPFTOLQVGEPHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011861
O=C(c1c2c([nH]c1C)CCC2)CNC	PC-id_84772459	192.258	UUYONRADVKNEET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011862
O=C(c1c2c([nH]c1C)CCC2)C(N)C	PC-id_84772463	192.258	UHSBFPPMSLWIBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011863
OCC1(Cc2n[nH]c3CCCc23)CC1	MCULE-4630320453,EMOLS-id_313870929	192.258	SVAINFBJHRSXQF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011864
O=Cc1n(CC(C)C)nc2c1CCC2	PC-id_105446422	192.258	QUTJRGCUOTVFKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011865
O=Cc1nn(c2c1CCC2)C(C)(C)C	PC-id_105446416	192.258	BSVKRGPOOVRFIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011866
O=C(n1nc2c(CCC2)c1C)C(C)C	PC-id_12139263	192.258	RQVCDBZXNFKKOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011867
O=C(n1nc(c2c1CCC2)C)C(C)C	PC-id_12139262	192.258	VPIQMLWVOHTCNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011868
C1CC1(CCc1cn2CCNc2n1)N	PC-id_136693498	192.261	JFSLZLZLDIASLR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011869
C1CNC(C1)Cc1nnc2n1CCC2	EMOLS-id_38258278,PC-id_61371145	192.261	DKAICICXYTVWCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011870
c1(C(=N)N)c2CCCc2nn1C(C)C	EMOLS-id_70118706,MCULE-3806788612,PC-id_121214359	192.261	LXUKQUGDIIBUOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011871
C1NCC(C1)Nc1[nH]nc2c1CCC2	PC-id_114697956,EMOLS-id_313773057	192.261	KAQAECMGBCMPGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011872
C(c1n2CCCc2nn1)C1CNCC1	MCULE-5158166061,EMOLS-id_41575152,PC-id_65980252	192.261	QISHYHLBBNBEDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011873
CC(c1nnc2n1CCC2)(C1CC1)N	EMOLS-id_40681942,PC-id_64669078	192.261	RLILIIIHTQNQRW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011874
CC(c1nnc2n1CCC2)C1CNC1	PC-id_116682417,EMOLS-id_265785760	192.261	ARQQPQXYORIEKM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011875
CC(c1nnc2n1CCC2)NC1CC1	EMOLS-id_265785574,PC-id_103439145	192.261	NENFZACRGOZXPN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011876
C(Cc1nnc2n1CCC2)NC1CC1	EMOLS-id_37876884,PC-id_60838011	192.261	IXQYMVZHJZOTBX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011877
CN1CC(C1)NC1CCn2c1ncc2	EMOLS-id_265781463	192.261	PJLALDJUOKVUEV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011878
CN(C1CCn2c1ncc2)C1CNC1	EMOLS-id_265781754	192.261	KLCFCJJZDVWLKO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011879
n12c(nnc1CCC2)C(C1CC1)CN	PC-id_82656556	192.261	BGNLZPBQCKLSHF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011880
n12c(nnc1CCC2)CC(N)C1CC1	PC-id_81995217,EMOLS-id_265778409	192.261	QJGUVNOPZXNQPA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011881
n1(CC2CC2)c(CN)c2c(CNC2)n1	EMOLS-id_324347501,MCULE-9511958894	192.261	XSFFKPWOVCEOBD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011882
N1C(CCC1)Cc1nn2c(n1)CCC2	PC-id_82604783	192.261	SPZRCYLJFOJXQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011883
NC1(CC1)CCc1ncc2n1CCN2	PC-id_105446485	192.261	HMYGABGTYCGZRS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011884
NC1(CC1)CCc1nn2c(n1)CCC2	PC-id_105446483	192.261	UPTFGMRPJLWKRN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011885
NC1(CC1)CCc1nnc2n1CCC2	PC-id_105446486	192.261	FFXAAFYETCNIRS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011886
NC1(CCC1)Cc1n2CCCc2nn1	EMOLS-id_42560325,PC-id_79846172	192.261	YLSWZNRRCLXKEM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011887
N(CC1CC1)Cc1n2CCCc2nn1	EMOLS-id_37777209,PC-id_43655454	192.261	MLRAZGOBDKWTLF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011888
NC(c1nnc2n1CCC2)C1CCC1	EMOLS-id_265778428	192.261	JITWXIADTWJHOM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-011889
NC(c1nnc2n1CCC2)CC1CC1	EMOLS-id_107775216	192.261	RWRBOLUONCCKAM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-011890
S1Cc2c(C1)c(sc2C#N)C#N	PC-id_10012809	192.261	QIKQTHPIGLQSIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011891
C#CCC(c1sc2c(c1)CCC2)O	EMOLS-id_194638046,PC-id_115839981	192.277	RDMPXPKHFWJWLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011892
C=CCC(=O)c1sc2c(c1)CCC2	EMOLS-id_265788475	192.277	NDSYDQIXVDIKPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011893
CC(=O)C=Cc1cc2CCCc2s1	EMOLS-id_313876040,MCULE-5037349250	192.277	MBGKMYGFXVOOID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011894
O=C(c1sc2c(c1)CCC2)C1CC1	PC-id_114977681,EMOLS-id_96676868	192.277	NXQFPKCYLOGBGI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011895
O=C(c1sc2c(c1)CCC2)C(=C)C	EMOLS-id_96682780,PC-id_115781036	192.277	BWJKGZUNDRTIBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011896
c12CSCc1nn(CCC)c2C#C	EMOLS-id_324403025,MCULE-4934889278	192.281	VIMWVGUSLPUODY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011897
c1cc2c(s1)C(=NNC1CC1)CC2	EMOLS-id_114558354	192.281	HWSCQWNEXQAYEV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-011898
c1(C#N)c2C(C)(C)CCc2sc1N	MCULE-6503418930,EMOLS-id_42566863,PC-id_79864745	192.281	OPPGIKFHZAJGLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011899
CCC1CCc2c1c(C#N)c(s2)N	EMOLS-id_96604590,PC-id_116176020	192.281	HEAUUGJQYKOOEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011900
CC#CCn1c(=N)sc2c1CCC2	EMOLS-id_114558031	192.281	BWILUBRRLBEMBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011901
C#CCCn1c(=N)sc2c1CCC2	EMOLS-id_114558378	192.281	WTKSPRPZLGQFOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011902
C#CCCSc1[nH]c2c(n1)CCC2	EMOLS-id_265047103	192.281	COAFJJWRXIQLQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011903
CC#CCSc1[nH]c2c(n1)CCC2	EMOLS-id_97158410	192.281	YIGWBFNPHCFBOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011904
C#CCNCc1sc2c(n1)CCC2	EMOLS-id_265788535	192.281	MHCRSVAPXXVARY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011905
C=CCNN=C1CCc2c1scc2	EMOLS-id_304169267	192.281	KCESJUUAOCMLSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011906
CCNc1sc2c(c1C#N)CCC2	PC-id_63091812,EMOLS-id_39588052	192.281	WNVQDTVCRWYFRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011907
N#CC(c1sc2c(n1)CCC2)(C)C	EMOLS-id_114558217,PC-id_103097225	192.281	YZLYLFOVWPGHLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011908
N#CCc1sc2c(n1)C(CC2)(C)C	PC-id_79856533,EMOLS-id_42568787	192.281	AZSAUORBSGINBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011909
N#CCNCc1sc2c(c1)CCC2	PC-id_61207249,EMOLS-id_38138725	192.281	IADRVCVGKVXLIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011910
NNC(c1sc2c(c1)CCC2)C#C	EMOLS-id_50845198,PC-id_105315528	192.281	DMJTYVQTNFWZCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011911
s1c2CCCc2nc1[C@@H](N)CC#C	PC-id_82669800	192.281	LILSRFUMWMARIH-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011912
s1c2c(C(N)(CC2)CC#N)cc1C	PC-id_83685149	192.281	POTCZXODLJMTMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011913
s1c(c2CCN(c2c1)C)CCC#N	PC-id_82402457	192.281	YMJPQGRJLDTKDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011914
s1c(c2CN(Cc2c1)C)CCC#N	PC-id_82402458	192.281	FHOWWKVPFWNZBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011915
o1c2c(CCC2)cc1CCCCCC	PC-id_44220547	192.297	WWXCYDQBRKIVIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011916
c12CCC(C)c1cnn2C(CC)CC	EMOLS-id_331018982,MCULE-6912921658	192.301	MSSBVPAHKQCDIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011917
c12C(C)CCc1n(nc2)CCC(C)C	MCULE-8276539573,EMOLS-id_331020516	192.301	UZGYRPKXLWSSTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011918
c12C(C)CCc1nn(CC(C)(C)C)c2	EMOLS-id_331005608,MCULE-1856367530	192.301	MSKFEXCRGBUNKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011919
c12C(C)CCc1nn(CCC(C)C)c2	MCULE-9810460416,EMOLS-id_331003559	192.301	BUPSSZPZGUOTTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011920
c12cnn(CC)c1C(CC2(C)C)(C)C	MCULE-1030186473,ZINC22_575424785,EMOLS-id_75547698	192.301	MWIJWGXVXJOIMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011921
CC1CCc2c1cnn2CC(C)(C)C	EMOLS-id_331018470,MCULE-1267131859	192.301	CHBVJWOJXVPSKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011922
CC(c1cc2n(n1)CCC2C(C)C)C	SCHEMBL798664,PC-id_66803945	192.301	QDSDDTGOIUCOPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011923
CC(C1CCc2c1[nH]c(n2)C(C)C)C	PC-id_66803861,SCHEMBL798492	192.301	ACHULWKCQQOWPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011924
CCC1CCn2c1cc(n2)C(C)(C)C	PC-id_121387051,SCHEMBL17811628	192.301	WVZDSMHZHODCQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011925
CC(c1c(nc2n1CCC2)C(C)C)C	PC-id_140931310	192.301	VMJBXWVJUYHESB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011926
CCc1c(nc2n1CCC2)C(C)(C)C	PC-id_89426145,SCHEMBL14754853	192.301	TUHAEGHEUXQKJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011927
CC(c1n(C)nc2c1CCC2(C)C)C	PC-id_142345718	192.301	BZPWSFUXMYZARL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011928
CC(c1nn2c(c1)C(CC2)(C)C)(C)C	PC-id_121387055,SCHEMBL17811633	192.301	ZSZZLFZABIZULA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011929
CCc1nn(c2c1CCC2(C)C)CC	SCHEMBL17815529,PC-id_121390649	192.301	MDARFVKDMQLLNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011930
CC(c1nn(c2c1CCC2(C)C)C)C	SCHEMBL18671716	192.301	ILZIDFRSSUBKHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011931
CC(C)c1c2CCCc2nn1C(C)C	SCHEMBL19844860,PC-id_134236242	192.301	IUTVWCULOYDJLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011932
CCCC(c1nn(c2c1CCC2)C)C	PC-id_138514762,SCHEMBL20866495	192.301	IWIZVOOYRNXPDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011933
CCC(CC)n1cc2C(C)CCc2n1	EMOLS-id_331005864,MCULE-6491953101	192.301	XOAKKIGFGNGYRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011934
CC(C)C(C)n1cc2C(C)CCc2n1	MCULE-4503357795,EMOLS-id_330998447	192.301	NGILPFOGGYBVIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011935
CCCCCn1nc2c(c1C)CCC2	SCHEMBL11668175,PC-id_70631202	192.301	IRVUZXPOOPEMNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011936
CC(C)C(C)n1ncc2C(C)CCc12	MCULE-3447001425,EMOLS-id_331018726	192.301	FUYZFLLQEJOMRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011937
C[C@@H]1C[C@@H](c2c1n(nc2)C(C)(C)C)C	SCHEMBL19250908	192.301	ZDOKRVZLSCBASQ-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011938
C[C@H]1[C@H](Cn2c1ncc2)CC(C)(C)C	SCHEMBL18685657	192.301	NQPNZKPWXUIQMF-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011939
Cn1cc(c2c1CCC2)CC(N)(C)C	PC-id_96752485	192.301	REXIRXNZFSASPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011940
CNC1C(C)Cc2c1cn(c2)C(C)C	PC-id_112715091	192.301	RREPQVUOCDAIMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011941
n1(c2c(CCC2)c(c1C)CN)C(C)C	PC-id_82505018	192.301	AOBCRXSHOKBRCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011942
n1(c2CCCc2nc1)CCCCCC	PC-id_19417596	192.301	QAEZMWHBHUPIBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011943
n1(cc2C(CCc2c1)CCN)C(C)C	PC-id_83907487	192.301	BUGKNHFYTYOCAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011944
n1(cc2C(CCc2c1)C(N)C)C(C)C	PC-id_83907488	192.301	XDQQYAHUXPGJFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011945
n1(cc2C(CCc2c1)CNC)C(C)C	PC-id_83907489	192.301	MTCRMANWZUMQTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011946
n1(nc2c(c1C(C)(C)C)CCC2)CC	PC-id_58720048	192.301	GSBQAPLPQHWWLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011947
n1(nc2C(CC(c2c1)C)(C)C)C(C)C	PC-id_59050191	192.301	YMXNCJZTQAWITJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011948
n1(nc2c(C(CC2)CCC)c1)C(C)C	PC-id_59050158	192.301	RYFSLSBBEXDBFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011949
NCC1C(C)Cc2c1cn(c2)C(C)C	PC-id_112715089	192.301	HNCTVGUOIOCMGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011950
NCC(C1C(C)Cc2c1cn(c2)C)C	PC-id_112715080	192.301	UFOBIWQOXBKMEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011951
[nH]1c2c(c(c1C(C)(C)C)CN)CCC2	PC-id_84772490	192.301	CUHSSZNTTUUHBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011952
[nH]1c2c(CCC2)c(c1C(C)C)CCN	PC-id_84772491	192.301	MWJLJCLKJMGZRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011953
[nH]1c2c(c(C(CCN)C)c1C)CCC2	PC-id_84772493	192.301	DHGDKWLGLVJARP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011954
[nH]1c2c(c(CC(N)(C)C)c1C)CCC2	PC-id_84772505	192.301	JJSXDIQZDCKBSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011955
CC1=C(C)c2c(C1C)c(c(s2)C)C	PC-id_101951418	192.32	MEQRHSBLKFSVLF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011956
CC1=C(C)c2c(C1C)sc(c2C)C	PC-id_122470965,SCHEMBL17996869	192.32	SSBQDEXAJDDLEA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011957
CCC1=C(c2c(C1C)sc(c2)C)C	SCHEMBL19880017,PC-id_134266815	192.32	BFSWZUJFOUPCJC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011958
CCCCC1=CCc2csc(c12)C	PC-id_91802401	192.32	ZBFKFHCUQLUIPW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011959
S1Cc2sc(=S)sc2C1	SCHEMBL18932326,PC-id_11041615	192.345	LVIAWDMRDBWWEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011960
S1CCc2sc(=S)sc12	PC-id_10965364	192.345	YPWKFPURRWEPAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011961
FC1(F)Cc2cc(CCl)nn2C1	MCULE-2902091431,EMOLS-id_320439318	192.594	JBVXCGYOPNAQRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011962
FC1(F)Cc2c(CCl)cnn2C1	MCULE-4224735478,EMOLS-id_320439062	192.594	WDWPVNLTNVBBNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011963
C1C2=CSC(=C2CN1C(=O)[O-])C#N	PC-id_154493515	193.008	YCNRZUOSOFDMHF-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-011964
BN1CCn2c1cc(n2)NC(=O)NC	SCHEMBL12334700	193.014	OXKDXLOBLFZYOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011965
C1C=CN2C1=C(C=C2C(=O)O)C(=O)O	PC-id_150708330	193.038	JNIIIVWSWSKTNW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011966
C1C=NC2=C1N(C=N2)CC3(COC3)O	PC-id_153410696	193.085	RQNULMVPCUWWMQ-UHFFFAOYSA-N	00001011100000000001000010000000000000000000000000000000	25-01-011967
CC1(C2=C(C(=CN2)C(=O)N)C(=O)N1)C	PC-id_154467095	193.085	TYOQHARLOXVZCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011968
CC1=C2C(=C(N1)C)C(=O)C(C2=O)(N)N	PC-id_163549102	193.085	FHNKTIGNBQUIKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011969
[Se]1Nc2c(N1)nsn2	PC-id_101803002	193.089	ZCNKHOSIVPPTCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011970
Clc1sc(c2c1CCC2)Cl	PC-id_141015712	193.094	VKOATNPKWSGURN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011971
CCOC(=O)C1=C2CCCN2C=C1C	PC-id_154663343,EMOLS-id_324190539	193.11	AJBIROVQYVHEQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011972
CCCC1=NC2=C(N1)C(OC2=N)(C)C	PC-id_164126781	193.122	YKFMPVKOGCSZHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011973
CCCC1=NNC2=C1CN(C2)C(=O)C	PC-id_163763551	193.122	MAHMDZRRAIWDKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011974
FC(F)(F)c1nc2OCCn2c1N	PC-id_82402397	193.127	QUQUKKXLBCEWAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011975
ON1Cc2c(C1)nc([nH]2)C(F)(F)F	SCHEMBL17380059,PC-id_118613804	193.127	XPBOTUOBJDMHON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011976
C1NNc2c(c(nn12)C(F)(F)F)N	PC-id_136642275	193.13	FFYONOGXZZFYCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011977
CC(=O)O/N=C/1Cc2c(C1=O)cco2	SCHEMBL16548347,PC-id_117936327	193.156	BCSJOFQNBHFCBP-JXMROGBWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011978
COc1c(n2c(c1)C(=O)OC2=O)C=C	PC-id_91376726	193.156	OTZTVIYYLYCGLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011979
OC(=O)C1c2n(C=C1)ccc2C(=O)O	PC-id_68114363,SCHEMBL10339756	193.156	VRRDRMIQOIKGEE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011980
OC(=O)C1(c2n(C=C1)ccc2)C(=O)O	SCHEMBL9689315,PC-id_21736955	193.156	USLOJGOJPCILET-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011981
OC(=O)c1c2n(cc1C(=O)O)C=CC2	PC-id_54241273,SCHEMBL7763930	193.156	QQEGVXNBIQWOHI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011982
OC(=O)c1c2n(CC=C2)cc1C(=O)O	PC-id_53928912,SCHEMBL7763933	193.156	IPTNMHWKQIXYHJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011983
OC(=O)C1=C(c2n(C1)ccc2)C(=O)O	SCHEMBL10339775,PC-id_68114368	193.156	GNDUODUSOFTEDY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011984
[O-]C(=O)C1CCn2c1c(cc2)C(=O)[O-]	PC-id_23045723	193.156	YVNBPFCIKDDTSM-UHFFFAOYSA-L	00000010100000000000000010000000000000000000000000000000	25-01-011985
OC(=O)C1=CCn2c1c(cc2)C(=O)O	SCHEMBL10339757,PC-id_68114364	193.156	KQMNUJGIMPSDKM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-011986
[O-]C(=O)[C@@H]1CCn2c1c(cc2)C(=O)[O-]	PC-id_29415253	193.156	YVNBPFCIKDDTSM-ZCFIWIBFSA-L	00000010100000000000000010000000000000000000000000000000	25-01-011987
[O-]C(=O)[C@H]1CCn2c1c(cc2)C(=O)[O-]	PC-id_29415259	193.156	YVNBPFCIKDDTSM-LURJTMIESA-L	00000010100000000000000010000000000000000000000000000000	25-01-011988
s1c2c(c(c1N)C#N)C(=O)NC2=O	PC-id_15680184	193.183	JYODQAOSODXSBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011989
s1c2c(CNC2)cc1C(F)(F)F	PC-id_82402300	193.189	SCSLFCMKLQNYPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011990
S1Cc2n(C1)ccc2C(F)(F)F	PC-id_21608465	193.189	YXHJVVYOFDDAKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-011991
c1(C(=O)OC)c(C)[nH]c2CCC(=O)c12	MCULE-9217160318,PC-id_53215409,ZINC22_49474223,EMOLS-id_31521774	193.199	ONMXXGBYFCPMAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011992
Cc1cc(c2n1CCC2)C(=O)C(=O)O	PC-id_134285025	193.199	MGDKTXOXRSMTHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011993
CC(CN1C(=O)c2c(C1=O)coc2)C	SCHEMBL8283004,PC-id_58799848	193.199	CUDISBTZTGXIBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011994
CC(CN1C(=O)c2c(C1=O)occ2)C	SCHEMBL13622580,PC-id_58799611	193.199	GLBIWACSYWQBRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011995
CC(=O)c1ccc2C(CCn12)C(=O)O	MCULE-4181596145,EMOLS-id_207810335	193.199	UXRQPVLODRKRQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011996
CCOC(=O)c1cc2CCC(=O)c2[nH]1	EMOLS-id_261067991,MCULE-2580333427,PC-id_57659859,SCHEMBL1004702,ZINC22_115010220	193.199	VBKQEYPBSYUZSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011997
CCOC(=O)c1cc2c([nH]1)CCC2=O	SCHEMBL1003932,PC-id_57659876	193.199	OSCVMSLKNQJZHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011998
CC(=O)O[C@H]1CC(=O)n2c1c(C)cc2	PC-id_102161874	193.199	HGAPZGXNAYHFSY-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-011999
COC(=O)c1c2CCC(=O)c2cn1C	EMOLS-id_323996065	193.199	BARGMILWMLZQQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012000
COC(=O)c1cc2c([nH]1)CC(C2=O)C	PC-id_59180212,SCHEMBL1003585	193.199	PNAARDJSHKNXQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012001
COC(=O)c1cn(c2c1CCC2=O)C	PC-id_68276371,SCHEMBL12466379	193.199	PIUMGHRUQSTPTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012002
o1c2c(C(=O)N(C(C)C)C2=O)cc1C	PC-id_15022437	193.199	RYHMHNVZAUUMJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012003
o1c2C(=O)N(C(C)(C)C)C(=O)c2cc1	PC-id_15022444	193.199	UJYSFQLVWLRBKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012004
O1C(=O)c2cn(C(C)(C)C)cc2C1=O	PC-id_83878282	193.199	VVCCQWZMWXKHHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012005
O=C1c2n(CC1)ccc2COC(=O)C	PC-id_11127127	193.199	OVRQSHHULURIJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012006
O=C1c2n(c(cc2CC1)C(=O)O)CC	PC-id_66892421	193.199	MMSNQCNZIUYNDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012007
O(C1c2n(C(=O)C1)ccc2C)C(=O)C	PC-id_44516703	193.199	HGAPZGXNAYHFSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012008
O=C1CC(c2c1c[nH]c2)CC(=O)OC	PC-id_83681011	193.199	DLXDVFQIJGJYKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012009
O=C1n2c(CC1)c(cc2)C(=O)OCC	PC-id_13088889	193.199	FCALNWUHHSHZSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012010
O=Cc1ccn2c1[C@@H](CC2)OC(=O)C	PC-id_101886619	193.199	NUWROHRCFBATAV-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012011
O(C(=O)C1c2n(C(=O)C1)ccc2)CC	PC-id_85999949	193.199	YFXBCBMIYSBHJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012012
C1CC1NC(=O)c1nn2CCOc2c1	PC-id_91959843	193.203	GYEGOCPKVHZELC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012013
CC(C)(C)c1nn2c(c1)NC(=O)C2=O	PC-id_136679838	193.203	UECGFRPHMZWMKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012014
CCCCN1C(=O)c2c(C1=O)[nH]cn2	SCHEMBL18050885,PC-id_122517686	193.203	PTOSJXVYUVFONK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012015
CC(=O)CC(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_313762898,MCULE-4751547482	193.203	XXCNEPPEDICJGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012016
CCOC(=O)c1ccc2n1C(C)N=N2	PC-id_145813530	193.203	POYNXOIJUUOPHE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012017
CCON1C(Cn2c1ccn2)C=C=O	PC-id_88634538,SCHEMBL10589533	193.203	INGAVLGVVIDYLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012018
N/C=C/C1Cc2c(C1)[nH]nc2C(=O)O	PC-id_143311108	193.203	HYZLBXIRDXEVEI-OWOJBTEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012019
O=C1n2c(C(=O)N1CCN)ccc2C	PC-id_83680795	193.203	KRSDPDBQGKVEHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012020
O=C1N(Cc2[nH]cnc12)C(C)C(=O)C	PC-id_53813314	193.203	FQOPHIBYNKRPLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012021
O=C1N(CCCN)C(=O)c2n1ccc2	PC-id_83680806	193.203	DJFDVVIWYKHBHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012022
O=C(N1Cc2n(cnc2C1)CC=O)C	PC-id_82402220	193.203	KQVOZUFLJYCLMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012023
OC(=O)CNN=C1CCn2c1ccc2	EMOLS-id_304167484	193.203	RJWQYHFRFKSWRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012024
NC(=O)NN=C1CC(n2c1ncc2)C	EMOLS-id_114563678	193.206	DWYNVWKOPXICCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012025
O1c2n(nc(c2C(=C(N)N)C1=N)C)C	PC-id_83449171	193.206	KMAKDZJMFBHMDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012026
OCCC1=Nn2c(/C/1=N/C)nc(n2)C	SCHEMBL10041507,PC-id_68015235	193.206	AKINPSVXTLJOIT-VQHVLOKHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012027
O(C(C)C)C1=Nn2nc(nc2C1=N)C	PC-id_60000642	193.206	AZJXUGMMXZXHQN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012028
OCC(N=[N+]=[N-])c1n[nH]c2CCCc12	EMOLS-id_313879378,MCULE-3830479849	193.206	MYYPMDJCHJQKBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012029
c1(C#N)c2C(C)CCc2n(CCF)n1	MCULE-5752519011,EMOLS-id_331020287	193.221	UVJUJUYTMKDMHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012030
c1(C#N)n(CCF)nc2CCC(C)c12	EMOLS-id_331002303,MCULE-5693251105	193.221	ZZSAGLRSPKDQPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012031
c1(C#N)c2CCCc2sc1C(=O)O	MCULE-5553501652,PC-id_83617481	193.222	BKTVFSFJJHSFLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012032
C=CCc1scc2c1C(=O)NC2=O	PC-id_67255004,SCHEMBL2033286	193.222	FREYZDZQUYNFFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012033
C=CCN1C(=O)c2c(C1=O)csc2	PC-id_89515934,SCHEMBL14882217	193.222	IURAKYOMBMYKJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012034
OC1=C(C(=O)n2[n+]1c(c(c2C)C)C)C	PC-id_21043339	193.222	XDDMLRGMPPSQBY-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-012035
O=C=NC(=O)c1sc2c(c1)CCC2	PC-id_103513011	193.222	IHXDYRXKKWHEPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012036
s1c2c(C(CC2=O)CN=C=O)cc1	PC-id_21781772	193.222	WEDXHEVOLLQBQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012037
C1=C/C(=N/C(=N)N)/c2c1sc(c2)O	PC-id_135404222	193.226	CKMSKGCRJQIRLA-WZUFQYTHSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012038
C1=C/C(=NC(=N)N)/c2c1sc(c2)O	PC-id_135874390	193.226	CKMSKGCRJQIRLA-VZUCSPMQSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012039
C1=CC(=NC(=N)N)c2c1sc(c2)O	PC-id_136693609	193.226	CKMSKGCRJQIRLA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012040
[N-]=[N+]=NC(=O)c1sc2c(c1)CCC2	EMOLS-id_37617142,PC-id_43307163	193.226	YACGSKGCIWRKDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012041
c1(CC(C)C(=O)O)c[nH]c2CCCc12	MCULE-9834101200	193.242	BCUGQVVQXYIEGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012042
c1(C(CC(=O)O)C)c[nH]c2CCCc12	MCULE-3907456421	193.242	VGSKSXBZCNMBKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012043
c1(C(=O)OCC)c2CCCc2c(C)[nH]1	PC-id_13863058,ZINC22_34172348,MCULE-3022900677,EMOLS-id_45987812	193.242	LREAKIOHGFXQBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012044
c1(C(=O)O)cc(n2CCCc12)C(C)C	PC-id_100010822,ZINC22_218297952,EMOLS-id_50383232,MCULE-1563254280	193.242	LSXVARDYFFHRAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012045
CC1Cc2c(C1CC(=O)O)cn(c2)C	PC-id_112715112	193.242	IDEAUDLLBVAAOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012046
CC1Cc2c(C1)[nH]cc2C(C(=O)O)C	PC-id_112488708	193.242	NWWVZAXDNONVPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012047
CC(C1CCc2c1cc([nH]2)C(=O)O)C	SCHEMBL1004020,PC-id_44125114	193.242	UBLVIBOTRHQEHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012048
CCC1(CCn2c1ccc2)CC(=O)O	SCHEMBL10989588,PC-id_20270359	193.242	MWVHLIFMCWIACR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012049
CC(C1(CCn2c1ccc2)C(=O)O)C	SCHEMBL9382452,PC-id_53875179	193.242	HFXFHZDKARUMTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012050
CCCC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1003681,PC-id_44125120	193.242	MUOAHJBOEOCWOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012051
CCCC1CCc2c1[nH]c(c2)C(=O)O	PC-id_59180153,SCHEMBL2077310	193.242	PCKLAJFZXCKXRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012052
CCCOC(=O)C1CCn2c1ccc2	SCHEMBL11443496,PC-id_23333055	193.242	OKWPXDDGBGKEDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012053
CCOC(=O)c1cc2CCC(C)c2[nH]1	MCULE-4912470871,EMOLS-id_324071930,SCHEMBL1005108,PC-id_59180175	193.242	DVTBZXYYMJNHGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012054
CCOC(=O)c1cc2CC(C)Cc2[nH]1	PC-id_66873834,MCULE-5409924532,SCHEMBL1004956,EMOLS-id_323995937	193.242	LZICYONFTUMEIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012055
CCOC(=O)c1cc2CC[C@H](C)c2[nH]1	ZINC22_115011107,EMOLS-id_331087855	193.242	DVTBZXYYMJNHGK-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012056
CCOC(=O)c1cc2C[C@H](C)Cc2[nH]1	EMOLS-id_331044344,ZINC22_115010736	193.242	LZICYONFTUMEIX-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012057
CCOC(=O)c1cc2c(n1C)CCC2	PC-id_19428635,SCHEMBL9100639	193.242	TWUNSAFIJVYFOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012058
CCOC(=O)c1cc2c([nH]1)C[C@H](C)C2	ZINC22_115010738	193.242	LZICYONFTUMEIX-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012059
CCOC(=O)c1cc2c([nH]1)[C@H](C)CC2	ZINC22_115011109	193.242	DVTBZXYYMJNHGK-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012060
CCOC(=O)c1c(C)cc2CCCn12	EMOLS-id_316337252,MCULE-9196344048	193.242	ZLHQZYHJCOVOAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012061
CC(OC(=O)C1CCn2c1ccc2)C	PC-id_12795098,SCHEMBL9381071	193.242	HZKXABCPABDVLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012062
CCOC(=O)CC1CCn2c1ccc2	SCHEMBL10989583,PC-id_54041565	193.242	LMSBHHQUMVJDJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012063
CC(=O)OC1CCc2c1[nH]c(c2C)C	SCHEMBL13255103,PC-id_59411394	193.242	AABWFAQIKLJEST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012064
CN1Cc2c(C1=O)c(oc2C)C(C)C	SCHEMBL21431035,PC-id_139554620	193.242	IEXZKSIVNVHZHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012065
Cn1c(cc2CC(C)(C)Cc12)C(=O)O	SCHEMBL18283423,EMOLS-id_317488095	193.242	OTJDWAZNZGBIKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012066
COCC1(COC)C=Cn2c1ccc2	PC-id_142627350	193.242	MYCDXGRLORISBQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012067
COC(=O)CCc1ccc2CCCn12	PC-id_15584420,EMOLS-id_34313,MCULE-1187690089	193.242	ORTYVNOQVZYPFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012068
COC(=O)CCC1CCn2c1ccc2	PC-id_92019897	193.242	REIYYQPGIFFOGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012069
o1c2c(CCC2)c(c1C)C(=O)CCN	PC-id_84772806	193.242	YFOTTZHNTFPULN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012070
o1c2c(CCC2)c(c1C)C(=O)CNC	PC-id_84772805	193.242	AGUTVTWCMHZHQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012071
o1c2c(CCC2)c(c1C)C(=O)C(N)C	PC-id_84772807	193.242	WZKLYRPPYKGDOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012072
o1c2c(C(N(C)C)CC2)c(c1C=O)C	PC-id_82378214	193.242	BIGJCRNQECHKRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012073
O1c2c(n(cc2C)CC)C(C1=O)(C)C	PC-id_23386169	193.242	LXRREAGDVYXTEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012074
o1c2C(=NC(OC)c2cc1)C(C)(C)C	PC-id_10465197	193.242	KURCOXUMLDGKDN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012075
o1c(c2CN(Cc2c1)C(C)C)C(=O)C	PC-id_82372649	193.242	GMVQAFGETAHDSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012076
o1c(c2CN(Cc2c1)CCC)C(=O)C	PC-id_82372651	193.242	DLXKRGBWFYMYLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012077
O=C1c2n(c(c(c2CC1)C)CC)CO	PC-id_21824202	193.242	RPXYWZYDUMUDGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012078
OC(=O)C1c2c(CC1)cn(c2)C(C)C	PC-id_83907543	193.242	NTINRHFNCIDYKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012079
OC(=O)c1c2c([nH]c1C(C)C)CCC2	PC-id_82401966	193.242	KEMLCJBCHYVWQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012080
O(C(=O)c1c2n(CCC2)c(c1)C)CC	PC-id_12039484	193.242	RDSWQMMBTGKSEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012081
O(C(=O)C1CCc2c1[nH]cc2C)CC	PC-id_11550152	193.242	AZQDCJZPLMYVMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012082
O(C(=O)c1c(n2CCCc2c1)C)CC	PC-id_23245356	193.242	MXKZROUMPIBHKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012083
O(C(=O)c1n2CC(Cc2cc1)(C)C)C	PC-id_10888798	193.242	CKGPWCYGSHUTDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012084
OC(=O)c1n(c2c(CCC2)c1CC)C	PC-id_83818292	193.242	OVYBVIFZAMVQAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012085
O(C(=O)c1[nH]c2c(CCC2)c1CC)C	PC-id_10397721	193.242	ATCZIHTZRICMEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012086
O(C(=O)c1[nH]c2c(CCC2)c1C)CC	PC-id_15939407	193.242	NCJNRMKAQJFUOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012087
OC(=O)c1[nH]c2c(CCC2)c1C(C)C	PC-id_83818293	193.242	SJDMKNYBTLKABK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012088
OC(=O)c1[nH]c(c2c1CCC2)C(C)C	PC-id_82605173	193.242	WYDQWNXDEWGXCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012089
O(C(=O)c1[nH]cc2CC(Cc12)(C)C)C	PC-id_45098723	193.242	QJGLHWNHCUOHEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012090
OC(=O)C(c1c2c([nH]c1C)CCC2)C	PC-id_84772772	193.242	HKUIAXXNZXNBBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012091
O(C(=O)Cc1c2n(CCC2)cc1)CC	PC-id_71359819	193.242	HNWRITLSFLOYGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012092
OC(=O)C(C1Cc2[nH]ccc2C1)CC	PC-id_82401938	193.242	LXXDDERZJRYSAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012093
OC(=O)C(C1CCc2c1cn(c2)C)C	PC-id_83907535	193.242	YHEGPYFCXLOAQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012094
OC(=O)C(C1C(C)Cc2c1c[nH]c2)C	PC-id_112715114	193.242	WOQKKPMGTURREJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012095
OC(=O)C(c1c(C)cc2n1CCC2)C	PC-id_112488709	193.242	OFNGIRLATRPTQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012096
OC(=O)CC1CC(n2c1ccc2)CC	PC-id_83637133	193.242	AIUCEZBKTDZIKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012097
O(C(=O)Cc1cn2c(CCC2)c1)CC	PC-id_23269362	193.242	VVQJCIYEQDQPOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012098
O(C(=O)Cc1n2CCCc2cc1)CC	PC-id_23269361	193.242	QBEXPUNZTDOBDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012099
OC(=O)CCc1c2c([nH]c1C)CCC2	PC-id_84772781	193.242	LOIXQJFZCIGVIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012100
OC(=O)CCc1cc2n(c1C)CCC2	PC-id_96752874	193.242	PZWVTBCUOBKFPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012101
OC(=O)CCc1cc(c2n1CCC2)C	PC-id_96752883	193.242	HRGABSHUQQEZDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012102
OC(=O)CCc1cn(c2c1CCC2)C	PC-id_96752894	193.242	ROZGSHXHRPVNFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012103
OC(=O)CCc1n2C(CCc2cc1)C	PC-id_15584421	193.242	BCMZSHXODVVNAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012104
OC(=O)CCc1n2c(CCC2)cc1C	PC-id_82402037	193.242	IBMJGYCPEBIUPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012105
C1Cc2[nH]nc(OC3CCNC3)c2C1	EMOLS-id_313869136,MCULE-3921675457	193.246	SEYCSARXZSQOLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012106
c1(C=NO)c2CCCc2nn1CCC	EMOLS-id_324392786,MCULE-8853769393	193.246	GGACDAOMSPGACZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012107
c1(C(=O)N)c2C(C)CCc2n(CC)n1	MCULE-8700679066,EMOLS-id_331038722	193.246	QEISNKVYKVNQRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012108
c1(C(=O)N)c2C(C)CCc2nn1CC	EMOLS-id_330960576,MCULE-6064589352	193.246	NHIMRULHMFZSQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012109
c1(C(=O)NC)c2CCCc2n(CC)n1	EMOLS-id_324389206,MCULE-8067247604	193.246	VCIAPVJCZUJWAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012110
c1(C(=O)N(C)C)c2CCCc2n(C)n1	MCULE-2553997742,EMOLS-id_324386902	193.246	RVWOIFPKDRWPNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012111
c1(C(=O)NCC)c2CCCc2nn1C	EMOLS-id_324394576,MCULE-5114355532	193.246	FVJUQTYKBQFFGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012112
c1(C(=O)NCCC)c2CCCc2[nH]n1	EMOLS-id_179744469,PC-id_110388796,MCULE-1784105788	193.246	BULRTPKZQBVZJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012113
c1(C(=O)NC(C)C)c2CCCc2[nH]n1	PC-id_110388797,MCULE-5306390352,EMOLS-id_179744472	193.246	LSPLSYXWYJDUDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012114
c1(C(=O)NCCC)cn2c(CCC2)n1	EMOLS-id_321296594,MCULE-6699400546	193.246	BEUUXWSMDDRRFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012115
c1(C(=O)NC(C)C)cn2c(CCC2)n1	EMOLS-id_321296850,MCULE-7317015509	193.246	MHVPGSFSDWRSPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012116
CC1(CNC1)Oc1n[nH]c2CCCc12	EMOLS-id_313870160,MCULE-5481975496	193.246	WALLHMKKRZIMOR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-012117
CC1(C)OCc2c1n[nH]c2NC1CC1	EMOLS-id_107680948	193.246	JKXRSXKHSQSMHH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012118
CC1N(CCCC)C(=O)c2n1ccn2	PC-id_140263667	193.246	ZFBDNHFBRMIWIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012119
Cc1[nH]c2c(n1)CN(C2)C(=O)C(C)C	PC-id_117684390,SCHEMBL16219029	193.246	BDFCVGATUPRMLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012120
CCC1(c2c(NC1=O)nc[nH]2)C(C)C	PC-id_89015138,SCHEMBL13081252	193.246	NZQQMIVNPXAUAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012121
CCc1nn(c2c1CN(C2)C(=O)C)C	SCHEMBL21334027,PC-id_139468231	193.246	PKXDYBDXBXJJPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012122
CCCCC(=O)c1nn2CCCc2n1	SCHEMBL20228817,PC-id_134577432	193.246	APVKBAGZKOZQMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012123
CCC(C)C(=O)c1nn2CCCc2n1	SCHEMBL20228818,PC-id_134577433	193.246	GPBNBDYVIJYUJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012124
CC(C)(C)C(=O)c1nn2CCCc2n1	SCHEMBL20645899,PC-id_137412490	193.246	MXIKCDUTPYCWHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012125
CCCCN1Cn2c(C1=O)nc(c2)C	PC-id_140261620	193.246	KTZDHJVJTHVPHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012126
CC(C)Cn1nc2CNCc2c1C=O	EMOLS-id_324349285,MCULE-3604470242,PC-id_105447301	193.246	ASTBYXBUURNYLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012127
CCCC(=O)c1nn2CCC(c2n1)C	SCHEMBL20282535,PC-id_135136084	193.246	ALTUCYMLHUMIEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012128
CCC(C(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-4582268007	193.246	MPRGMIKNVBUYAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012129
CC(CC(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-7119971739	193.246	PDVSJKOIGXKMNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012130
CCCC(=O)Nc1nn2c(c1)CCC2	SCHEMBL20053998,PC-id_134421011	193.246	KEDSLIXRUXNVFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012131
CCCn1nc(C=NO)c2CCCc12	EMOLS-id_324389720,MCULE-5368420103	193.246	BGFWTXJETODIFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012132
CC(C(=O)c1c(C)nc2n1CCC2)N	PC-id_112545681	193.246	CYPJDIPSAWAREZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012133
CC(C(=O)N1Cc2c(C1)c([nH]n2)C)C	PC-id_117611715,SCHEMBL16123822	193.246	JDSPUAXZJHNZGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012134
CCC(=O)N1Cc2c(C1)c(n[nH]2)CC	SCHEMBL16123826,PC-id_117611719	193.246	NUWGOVBYWHWWRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012135
CC(N1c2ncc(n2C(C1=O)C)C)C	SCHEMBL12616520,PC-id_68328883	193.246	DVIJDTUARBQMLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012136
CCn1c(c2CNC(=O)c2n1)C(C)C	SCHEMBL14994625,PC-id_89601970	193.246	CDHRYVPGFWIATN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012137
CCNc1c2CCCc2nn1C(=O)C	SCHEMBL13145641,PC-id_58824902	193.246	KYCKQWNGGDLKAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012138
CCNc1nn(c2c1CCC2)C(=O)C	SCHEMBL13145642,PC-id_58824868	193.246	IPEIEAUMJWLJID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012139
CC(=O)N1Cc2c(C1)nc([nH]2)C(C)C	PC-id_142544832	193.246	OGWQQDJMGFBPRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012140
CC(=O)N1Cc2c(C1)[nH]nc2C(C)C	PC-id_118489214,SCHEMBL17229680	193.246	WVFOSDRRSGUXBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012141
CC(=O)N(c1c(C)nc2n1CCC2)C	PC-id_59820671,SCHEMBL14024322	193.246	UYVQAERYDSQALK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012142
CC(=O)N(c1n(C)nc2c1CCC2)C	SCHEMBL14024316,PC-id_59820664	193.246	DTYUTFGETBTOLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012143
CNCC(=O)c1c(C)nc2n1CCC2	PC-id_112545680	193.246	ORXWYNDKABUNJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012144
C(OCC1CC1)c1n[nH]c2c1CNC2	EMOLS-id_50369971,ZINC22_306143137	193.246	XUGMRUYITQLJOR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012145
n1c2CCCn2c(C)c1C(=O)CNC	MCULE-6871961728	193.246	NLHQKZJSOOZTHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012146
N1CCC(C1)Nc1oc2c(n1)CCC2	PC-id_112709650	193.246	WXRQXSITVXPLHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012147
NC1(CC1)CCc1cn2c(n1)OCC2	PC-id_105447250	193.246	MMGJCMLGFOLOBJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012148
NC1(CC1)CCc1cnc2n1CCO2	PC-id_105447253	193.246	VYTHKKWNQXJHJB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012149
NC1(CC1)CCc1ncc2n1CCO2	PC-id_105447251	193.246	QMDKHYHBPMEDHO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012150
NC1(CC1)CCc1nn2c(c1)OCC2	PC-id_105447252	193.246	WWELTSAIAKWDIX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012151
NCc1c2C(=O)CCc2nn1C(C)C	PC-id_112711194	193.246	DWVWPQDYIMRJHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012152
NCc1nn(c2c1C(=O)CC2)C(C)C	PC-id_112711184	193.246	RHLDYEUIUJEIMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012153
O1c2n(cc(n2)C(N)CC2CC2)CC1	PC-id_82401899	193.246	MXTNTOFJLJJFMV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012154
O1c2n(c(nc2)C(N)CC2CC2)CC1	PC-id_82401898	193.246	XUQYNZJZGRBPFF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012155
O1C(CCC1)Cn1nc2c(CNC2)c1	PC-id_82401859	193.246	XYTMAHSVLTVFAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012156
OC1(Cc2n[nH]c3CCCc23)CNC1	MCULE-5480706959,EMOLS-id_313880144	193.246	AALGGZONFMUESU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-012157
OC1CC(C1)NC1CCn2c1ncc2	EMOLS-id_265816255	193.246	ZZXGOSQXDLYNTK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-012158
O=C1Cn2c(N1C)ncc2C(C)(C)C	SCHEMBL10183103,PC-id_68056232	193.246	PMKCZRQRLLHVAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012159
O=C1C(NC)Cn2nc(cc12)C(C)C	PC-id_82401821	193.246	JMWYSZOMYMWKHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012160
O=C1C(NC)Cn2nc(c(c12)C)CC	PC-id_82401822	193.246	JRHBIGCCIXTLAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012161
O=C1n2c(CN1C(C)(C)C)cnc2C	SCHEMBL803522,PC-id_66805391	193.246	XHCFANUMKMDWDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012162
O=C1Nc2n([C@H]1C(C)C)c(nc2C)C	PC-id_10198042	193.246	ZNRMCCOBWYXVCD-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012163
O=C1N(Cc2n1c(cc2)C)CCCN	PC-id_83680811	193.246	LQRJFOOIESUDHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012164
O=Cc1c2CNCc2nn1C(C)(C)C	PC-id_105447296	193.246	WJYQPZUHJJLCMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012165
O=C(c1n2CCCc2c(n1)C)CNC	PC-id_82656777	193.246	QQGUARIJYYRWBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012166
O=C(c1nc(n2c1CCC2)C)CNC	PC-id_82605224	193.246	BIMJYVSZBIIVFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012167
O=C(c1nn(c2c1CCC2)C)C(N)C	PC-id_84664901	193.246	DTMQZRWBCRFXMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012168
O=C(c1nn(c2c1CCC2)C)CNC	PC-id_84664902	193.246	ARLCHIRLTYWOPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012169
O=C(c1n(nc2c1CCC2)C)C(N)C	PC-id_84664905	193.246	DVBVOGLAJQIKCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012170
O=C(c1n(nc2c1CCC2)C)CNC	PC-id_84664906	193.246	VONXECLKFYTUOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012171
O=Cc1nn(c2c1CNC2)C(C)(C)C	PC-id_105447272	193.246	DZMZXHHTNLSTJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012172
O=Cc1nn(c2c1CNC2)CC(C)C	PC-id_105447277	193.246	FFSUXTPWGZHSIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012173
O=Cc1n(nc2c1CN(C2)C)C(C)C	PC-id_112711149	193.246	PDBJANYFOQXYNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012174
O=Cc1nn(c2c1CN(C2)C)C(C)C	PC-id_112711166	193.246	HQVNNLNXRJMPKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012175
O=C(C(C)(C)C)N1Cc2c(C1)c[nH]n2	MCULE-5917599707,EMOLS-id_107770755	193.246	FPPAJKPXRMTCJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012176
O=CC(NC)C1Cc2[nH]c(nc2C1)C	PC-id_18721985	193.246	PCXGOQYDLWFPPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012177
O=C(N1Cc2c(C1)c[nH]c2CCN)C	PC-id_82605256	193.246	BWAQVRPZLFOKCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012178
O=C(NCC1Cc2[nH]cnc2C1)CC	PC-id_20738534	193.246	FRPVUFCKGOBUSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012179
O=C(NCC)CC1Cc2[nH]cnc2C1	PC-id_20738526	193.246	NYTTUTTUJIOONM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012180
C1CC1(CCc1nn2CCNc2n1)N	PC-id_136693514	193.249	GHOIOGCMLSBMAV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012181
C1Cn2cc(nc2N1)CN1CC(C1)N	PC-id_136310371	193.249	OFARWRXOVBOZRN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-012182
n12nnc(C(N)C3CC3)c1N(CC2)C	PC-id_82401801	193.249	NENIGZBOVQPOKS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012183
n1c(CC2NCCC2)nn2CCNc12	MCULE-9014060923	193.249	VNBYUUNUZUPQKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012184
Cc1c2C(=C)N(C(=O)c2c(s1)C)C	PC-id_89822274,SCHEMBL15281131	193.265	VMTZUMQDKQQRCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012185
CC1(C=c2cc(sc2=C1)C(=O)N)C	PC-id_90141224,SCHEMBL15697533	193.265	KLOHELFVHSNHRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012186
CCc1sc(c2c1C(=C)NC2=O)C	SCHEMBL18760881	193.265	HZKBVBSYEDGUFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012187
CC(N=C=O)c1cc2CCCc2s1	EMOLS-id_313851582,MCULE-9917977168	193.265	PLACDDHSTWOHHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012188
o1nc(c2c1[N+](=CC2)C(C)C)C(C)C	PC-id_58310422	193.265	NZLHJDJCTXNIJH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012189
O=C(c1sc2c(c1)CCC2)N1CC1	EMOLS-id_107183167	193.265	RPHQXZQBAKZCME-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012190
OC(CC#N)c1cc2CCCc2s1	EMOLS-id_313793485,MCULE-1434645397	193.265	VIWBTTNZXKDUES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012191
O=C=NCCc1cc2CCCc2s1	EMOLS-id_313851838,MCULE-3450110821	193.265	CJAKZCSKNQVXCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012192
s1c2[C@H](O)C[C@H](NCC#C)c2cc1	PC-id_52915620	193.265	KLTITZXODKSGLR-DTWKUNHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012193
s1c2[C@@H](O)C[C@H](NCC#C)c2cc1	PC-id_52915621	193.265	KLTITZXODKSGLR-IUCAKERBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012194
s1c2C(O)CC(NCC#C)c2cc1	PC-id_75952575	193.265	KLTITZXODKSGLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012195
s1c2NC(=O)C(=CC)c2c(c1C)C	PC-id_59043150	193.265	AUFOXPNFMZQIKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012196
CCC1=C(N)c2c([N+]1(N)CC)[nH]cc2	SCHEMBL5172486,PC-id_69340719	193.269	LYYTWPNJKZQDRH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012197
N#Cc1nn(c2c1CSC2)C(C)C	PC-id_105447470	193.269	LZGBCBRMUPHRKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012198
N#Cc1n(nc2c1CSC2)C(C)C	PC-id_105447474	193.269	YOLRWRVSHYMPDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012199
N#CCCSc1cn2c(n1)CCC2	PC-id_145921484	193.269	PFVXCMUNWBQKMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012200
N#CCNCc1sc2c(n1)CCC2	EMOLS-id_194633221	193.269	VTLOOFZWAORWLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012201
N#CC(Sc1[nH]c2c(n1)CCC2)C	EMOLS-id_97158575	193.269	BLXMNUHYUHRJFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012202
[N-]=[N+]=NCCc1cc2CCCc2s1	MCULE-6673662803,EMOLS-id_313875270	193.269	DGQXXXIPKXQJIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012203
S1c2n(c(CC[N+]#[C-])c(n2)C)CC1	PC-id_83484316	193.269	AKZJJEAAYPRCIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012204
c1(CNCC)c(CC)oc2CCCc12	MCULE-6396413130,PC-id_83610199	193.285	CNLIXFYUXSDOPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012205
CC(C1Cc2c(C1)nc(o2)C(C)C)C	SCHEMBL13086603,PC-id_59534246	193.285	RFCMDXICZMAEHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012206
CCC1C(CC)C(c2c1ocn2)CC	PC-id_68365330,SCHEMBL12727234	193.285	HLMBXGMLEXIXNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012207
CC(c1oc2c(c1)C(CC2)C(N)C)C	PC-id_112715142	193.285	AJLBTYLOZZFPRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012208
CC(c1oc2c(n1)CCC2C(C)C)C	PC-id_66803840,SCHEMBL798458	193.285	KIYGBVLSIGFSCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012209
CC(c1onc2c1C(C)(C)C[C@@H]2C)C	SCHEMBL17761901,PC-id_121345537	193.285	ANGVFDWPROIDBP-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012210
CNC1C(C)Cc2c1oc(c2)C(C)C	PC-id_112715159	193.285	QKRBMLBTGLVFIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012211
CNCC1C(C)Cc2c1oc(c2)CC	PC-id_112715147	193.285	VQYCRQDPGXKANP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012212
NCC1C(C)Cc2c1cc(o2)C(C)C	PC-id_112715155	193.285	YCQNQMKMHMUQLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012213
NCC1C(C)Cc2c1oc(c2)C(C)C	PC-id_112715153	193.285	WEKGWZRJAKRJMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012214
NCC(C1CCc2c1cc(o2)CC)C	PC-id_112715125	193.285	VJBDHZDWVGRSHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012215
NCC(C1CCc2c1oc(c2)CC)C	PC-id_112715124	193.285	SWAWQIBOGPSVND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012216
NCCC1C(C)Cc2c1cc(o2)CC	PC-id_112715134	193.285	NLYHZDYIJSMQFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012217
NCCC1C(C)Cc2c1oc(c2)CC	PC-id_112715133	193.285	HNNSEWIJABCYGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012218
o1c2C(CCc2cc1C(C)C)CCN	PC-id_83907613	193.285	KBVVTEYTAQMOED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012219
o1c2c(CCC2)c(c1C(C)C)CCN	PC-id_84665052	193.285	XGVPMNHFLRODMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012220
o1c2c(CCC2)c(c1C(C)C)CNC	PC-id_83610276	193.285	UMJSMZWGXKJNFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012221
o1c2c(CCC2)c(c1C(C)C)C(N)C	PC-id_83610339	193.285	UFFIZXROSUFGIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012222
o1c2c(CCC2)c(c1CCC)CNC	PC-id_83610348	193.285	BNYHIVIJLDFSQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012223
o1c2c(CCC2)c(c1CCC)C(N)C	PC-id_83610411	193.285	JLECXNUWHGASBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012224
o1c2C(CCc2cc1C(C)C)CNC	PC-id_83907617	193.285	ZYJXPIDWUAJFPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012225
o1c2c(CCC2)c(c1C)CNCCC	PC-id_83610123	193.285	SLVAYZCVTSTADA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012226
o1c2c(C(CC2)CCN)cc1C(C)C	PC-id_83907615	193.285	XRTJFBKYGIGDRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012227
o1c2c(CCC2)c(CNC(C)C)c1C	PC-id_83610122	193.285	LGPAXRDQLNUHDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012228
o1c2c(C(CC2)CNC)cc1C(C)C	PC-id_83907619	193.285	TWHHRYNFIBNKOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012229
o1c2c(c(C(CCN)C)c1C)CCC2	PC-id_84772917	193.285	FNZUSEAHHXZZQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012230
o1c2CC(C)C(CNC)c2cc1CC	PC-id_112715148,MCULE-2356645757	193.285	ZZEJSKHZQRFFNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012231
o1c2CC(C)C(NC)c2cc1C(C)C	PC-id_112715161,MCULE-6701668021	193.285	JIPYTPIHBKXJJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012232
o1c2c(c(CC(N)(C)C)c1C)CCC2	PC-id_84772927	193.285	XZCFMPGYJQPILQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012233
o1c2C(C(N)C)CCc2cc1C(C)C	PC-id_112715140,MCULE-3552102342	193.285	UPQSGORXNYVTMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012234
o1c(C(C)(C)C)c(c2c1CCC2)CN	PC-id_83610508	193.285	AJGUFCAKNWYQCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012235
o1c(C(C(C)C)CN)cc2c1CCC2	PC-id_82605375	193.285	CGRNMAHDDPIMHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012236
c12CCC(C)c1c(nn2C(C)CC)N	EMOLS-id_330968562,MCULE-7180791418	193.289	XCPPDNNKNRWIHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012237
c12CCC(C)c1c(nn2C(C)C)CN	EMOLS-id_331018232,MCULE-8519154124	193.289	JFFMXVOUKLDKSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012238
c12C(C)CCc1n(nc2)CCN(C)C	EMOLS-id_331020261,MCULE-1439177701	193.289	YIUZUZUCEIIKCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012239
c12C(C)CCc1n(nc2N)CC(C)C	MCULE-7268995976,EMOLS-id_330966768	193.289	HHKSORVLZSRAAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012240
c12C(C)CCc1nn(CCN(C)C)c2	EMOLS-id_331003304,MCULE-7634866928	193.289	DFQDYFMCVBFWAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012241
c12CC(C)C(CNC)c1c(C)n(C)n2	PC-id_112715203,MCULE-1734518047	193.289	BCUWMQWXUHVZEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012242
c12CC(C)C(N)c1c(C(C)C)nn2C	MCULE-8423040771,PC-id_112715230	193.289	DUMLVPQPKIKKPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012243
c12CCC(NC)c1c(C(C)C)n(C)n2	PC-id_112715224,MCULE-8534868947	193.289	RRFVKPAGVBTYLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012244
c12C(NC)CCc1n(nc2)CC(C)C	MCULE-9299851343,EMOLS-id_46440469,PC-id_102548659	193.289	GWICYCNECZLKKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012245
c1(CC(C)C)c(CN)nn2CCCc12	PC-id_84113871,MCULE-9366253954	193.289	OEOMPFXMANZGKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012246
C1(C(CN)C)c2cn(C)nc2CC1C	MCULE-2776013848,PC-id_112715175	193.289	ADEIELBUBBDVSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012247
c1(CN)c2C(C)CCc2nn1C(C)C	EMOLS-id_331001272,MCULE-8556020609	193.289	GQJVYMRCXOZNEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012248
c1(N)c2C(C)CCc2nn1C(C)(C)C	MCULE-1485788931,EMOLS-id_331016100	193.289	HFDGWGRMDFOLIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012249
c1(N)c2C(C)CCc2nn1C(C)CC	MCULE-5284302161,EMOLS-id_331010731	193.289	LQLNAFDKRDQEHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012250
Cc1c2CN(Cc2n[nH]1)CCC(C)C	PC-id_135191264,SCHEMBL20343769	193.289	XPMOQVYXVCCSCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012251
CC1Cc2c(C1N)c(n(n2)C)C(C)C	PC-id_112715229	193.289	ZCJJNUSUEFIXGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012252
CC1CCc2c1c(N)nn2C(C)(C)C	MCULE-8134557674,EMOLS-id_330966002	193.289	NAQVLUTTZMRKKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012253
CC1CCc2c1[nH]c(n2)CC(N)(C)C	EMOLS-id_313776433	193.289	MFNNTUCPRHIJSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012254
CC1CCc2c1n[nH]c2NC(C)(C)C	EMOLS-id_40959500,PC-id_65046614	193.289	IYCDZPKMGCPOBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012255
Cc1c(nc2n1CCC2)CC(N)(C)C	PC-id_96753754	193.289	IJZSCTKXTPBWMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012256
Cc1[nH]nc2c1CN(C2)CC(C)(C)C	PC-id_118491742,SCHEMBL17232777	193.289	WEDDEISMAVPVAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012257
Cc1nn2c(c1C)N(CC2)C(C)(C)C	SCHEMBL19449291	193.289	ZHQJZVCMFKHSPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012258
Cc1nn(c2c1CN(C2)C(C)(C)C)C	SCHEMBL19449292	193.289	AYZZMHNTGQXWGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012259
CC(c1cc2n(n1)CCN2C(C)C)C	SCHEMBL798493,PC-id_66803862	193.289	DESRXCWSPURDHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012260
CCC1CCc2c1nc([nH]2)C(N)(C)C	PC-id_102970627,EMOLS-id_265053897	193.289	ZRBDSVPUNJZPHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012261
CCC1CCc2c1[nH]nc2NC(C)C	EMOLS-id_107226333,PC-id_116177041	193.289	HSUJGJXYJDBBOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012262
CCC1C(Cn2c1nnc2C)C(C)C	PC-id_142352438	193.289	CVCYDVBZTOPDBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012263
CCc1nc2n(n1)C(CC2(C)C)(C)C	SCHEMBL12964281,PC-id_88990433	193.289	ZSQXGUKINWCANV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012264
CCc1nn(c2c1C(N)CC2)C(C)C	PC-id_112711017	193.289	NQOZLCFLYKCJDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012265
CCc1nn(C(C)C)c2CC(N)Cc12	EMOLS-id_337957917	193.289	NNLVKVOBGSYMKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012266
CCc1n[nH]c2c1CN(C2)C(C)(C)C	SCHEMBL19297182	193.289	BJAAPQOGEOFSPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012267
CCCc1c(CCN)nn2CCCc12	PC-id_84113873,EMOLS-id_324138039	193.289	KPSQNJIUOLYWTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012268
CC(C(c1ccn2c1N(C)CC2)N)C	PC-id_112488655	193.289	VTTJXVPZOANGKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012269
CC(C)c1c(n2CCNc2n1)C(C)C	PC-id_137199295	193.289	KGKUGLAWIHBVDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012270
CC(C(c1nc2c([nH]1)C(CC2)C)N)C	EMOLS-id_107684089,PC-id_102970205	193.289	VGCONNMYOMSEPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012271
CCC(c1nc2c([nH]1)C(CC2)C)(N)C	PC-id_102970236,EMOLS-id_313730586	193.289	LIYBIJSLEOZEBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012272
CCC(c1nnc2n1CCC2)(CC)C	SCHEMBL15979338,PC-id_90363126	193.289	CKFSFHNMEHNVGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012273
CC(CC(c1ccn2c1NCC2)N)C	PC-id_112488651	193.289	DCVIVHRDTMNWGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012274
CC(C)(C)c1c(CN)nn2CCCc12	PC-id_84113872,EMOLS-id_324139576	193.289	PUTPQYZFQNSTKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012275
CC(C)C(CN)c1cc2CCCn2n1	PC-id_82656902,EMOLS-id_324138038	193.289	HSDRRJDBLSJHCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012276
CC(C)(CCN)c1n[nH]c2CCCc12	MCULE-2362278944,EMOLS-id_313884251	193.289	QUZVGXGHQXNDBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012277
CC(CCN1Cc2c(C1)c[nH]n2)(C)C	SCHEMBL9944467,PC-id_67977967	193.289	CYDQUEGCUDMMHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012278
CC(CCn1nc2c(c1N)CCC2)C	EMOLS-id_41192179,PC-id_65348500	193.289	PMXFXXWBZMAZIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012279
CC(C)(C)n1nc2CCCc2c1CN	EMOLS-id_324389726,MCULE-5094058461,PC-id_105447652	193.289	SWTILQWUQGJKDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012280
CC(C)Cn1nc2CCC(C)c2c1N	EMOLS-id_331017122,MCULE-6972078608	193.289	YRXDWHRQBDHVSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012281
CCCCNCc1n[nH]c2c1CCC2	PC-id_61395239,EMOLS-id_38281113	193.289	JEQBSVTUUGRWSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012282
CC(C)(CN)Cc1n[nH]c2CCCc12	EMOLS-id_313882713,MCULE-5669200162	193.289	SARVSUSANCNGSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012283
CC([C@@H](c1nc2c([nH]1)C(CC2)C)N)C	EMOLS-id_313730330,PC-id_102970225	193.289	VGCONNMYOMSEPU-NETXQHHPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012284
CC[C@H](c1[nH]c2c(n1)C(CC2)CC)N	PC-id_102970631,EMOLS-id_313732634	193.289	CCYAPSRHQCZGHQ-BRFYHDHCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012285
CC[C@@H](c1[nH]c2c(n1)C(CC2)CC)N	PC-id_102970657,EMOLS-id_313729051	193.289	CCYAPSRHQCZGHQ-MQWKRIRWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012286
CC(C)N1CCc2c1ncn2C(C)C	PC-id_89516155,SCHEMBL14882482	193.289	JPDOEMPEUDVDST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012287
CCC(n1nc2c(c1N)CCC2)CC	EMOLS-id_41192175,PC-id_65348454	193.289	YVZNUIPQNXBMLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012288
CCCn1nc2c(c1N)C(CC2)(C)C	EMOLS-id_42572771,PC-id_79866077	193.289	BGUBNPPDYINDPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012289
CC(C)n1nc2CCCc2c1CCN	MCULE-2368831025,EMOLS-id_70118730,PC-id_112711073	193.289	MZLYULLFHPMZRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012290
CCCn1nc2CCC(C)c2c1CN	MCULE-6574676358,EMOLS-id_330998713	193.289	ONROXODLGCAHAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012291
CCCn1nc(CN)c2C(C)CCc12	MCULE-8628514580,EMOLS-id_331015673	193.289	HFONFZABGBNXFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012292
CC(CNC1CC(n2c1ncc2)C)C	EMOLS-id_265856023	193.289	FSYGLOVZKVUZMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012293
CC(C(NC1CCn2c1ncc2)C)C	EMOLS-id_265856356	193.289	HZOXVUJOUFQIPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012294
CC(CNC1CCn2c1ncc2)(C)C	EMOLS-id_265856651	193.289	XJKGNIIIKZNZHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012295
CCCNc1[nH]nc2c1CCC2(C)C	EMOLS-id_42571355,PC-id_79863160	193.289	PIMYGGIDPFBWAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012296
CCCNc1[nH]nc2c1CCC2CC	PC-id_116177039,EMOLS-id_313605511	193.289	DHCYLEDZXUIAOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012297
CC(CNc1[nH]nc2c1CCC2C)C	PC-id_65046718,EMOLS-id_40959508	193.289	ZIPRIHMMGQBXAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012298
CC(CNCc1[nH]c2c(n1)CCC2)C	EMOLS-id_40130609,PC-id_63954674	193.289	OFIOPNUBSVVXSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012299
CC(C)(N)CCc1n[nH]c2CCCc12	MCULE-1640376217,EMOLS-id_313881433	193.289	INKWYRGVTRCGTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012300
CCN1Cc2c(C1)cn(n2)C(C)(C)C	PC-id_145006721	193.289	IDJKHLWSXGQEIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012301
CC(N1Cc2c(C1)cnn2C(C)C)C	PC-id_57931351,SCHEMBL13256450	193.289	RJIXKAJEAKHKLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012302
CC(N1Cc2c(C1)cn(n2)C(C)C)C	SCHEMBL19040098	193.289	KYOVQDWVGBNHEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012303
CC(N1Cc2c(C1)c(n[nH]2)C(C)C)C	PC-id_118489206,SCHEMBL17229670	193.289	ORLZRXWXDNOBSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012304
CC(N1CCc2c1[nH]c(n2)C(C)C)C	SCHEMBL798450,PC-id_66803837	193.289	LQEXEIUFYURRST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012305
CC(N1CCn2c1cnc2C(C)C)C	PC-id_58310128,SCHEMBL12566376	193.289	WQRAGPKXSMBZBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012306
CCn1nc2c(c1)CN(C2)C(C)(C)C	SCHEMBL19498028	193.289	NCTRLBSQFNNCKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012307
CC(n1nc2c(c1N)CCC2)C(C)C	EMOLS-id_114573026	193.289	LECHQDHIGOQZEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012308
CC(n1nc2c(c1N)C(CC2)(C)C)C	PC-id_79865931,EMOLS-id_42572767	193.289	CYJARZHENLIUAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012309
CC(Nc1[nH]nc2c1CCC2(C)C)C	PC-id_79863266,EMOLS-id_42571359	193.289	GRGHGAHRBVOZJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012310
CCNc1[nH]nc2c1C(C)(C)CC2C	EMOLS-id_114573842,PC-id_106664105	193.289	CPQPIVMSWOTTEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012311
CCNCc1nc2c([nH]1)CCC2(C)C	EMOLS-id_42571505,PC-id_79862242	193.289	GUKDQZMEYHCRQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012312
CC(NCc1[nH]c2c(n1)CCC2)(C)C	PC-id_63927992,EMOLS-id_40130567	193.289	OBBWBEKAHOAITQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012313
CC(NCc1n[nH]c2c1CCC2)(C)C	PC-id_61395237,EMOLS-id_38281109	193.289	DVQVSIMJJPMFHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012314
Cn1ncc2c1CN[C@@H]2CC(C)(C)C	PC-id_118244261,SCHEMBL16921024	193.289	KIWFGGGEFSIYEE-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012315
CNC1CCc2c1c(C)nn2C(C)C	PC-id_112711019	193.289	UVJSABIIZNLIIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012316
CNC1C(C)Cc2c1c(n[nH]2)C(C)C	PC-id_112715223	193.289	AYEVNHKTCJJFQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012317
CNCc1c2CCCc2nn1C(C)C	EMOLS-id_324389982,PC-id_112711080,MCULE-8779870449	193.289	ZBTRXJRTXMBMQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012318
CNCC1CCc2c1nn(c2)C(C)C	PC-id_112712786	193.289	IZKKQYXSRYAZQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012319
CNCC1C(C)Cc2c1c(C)nn2C	PC-id_112715202	193.289	UEJXHWFYLXZPTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012320
CNC(c1nc2c([nH]1)CCC2C)(C)C	PC-id_102970224	193.289	FTAJMKDVPPFBMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012321
CNCc1nn(c2c1CCC2)C(C)C	PC-id_112711035	193.289	XVGQJIHRFWZGMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012322
CNC(C)(C)Cc1n[nH]c2CCCc12	EMOLS-id_313871953,MCULE-1357616678	193.289	KEUSSPZYGYCLEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012323
CN[C@@H]1CCc2c1cnn2CC(C)C	PC-id_97181771,ZINC22_95098093	193.289	GWICYCNECZLKKH-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012324
CN[C@H]1CCc2c1cnn2CC(C)C	PC-id_97181772,ZINC22_95098094	193.289	GWICYCNECZLKKH-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-012325
n12c(C(CC1)CCN)c(nc2)C(C)C	PC-id_82401642	193.289	REKMIKZJKYIFDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012326
n12CC(Cc1c(nc2)C(C)C)CCN	PC-id_82401641	193.289	YQLOGKVPCHDOSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012327
n12C(CCc1c(nc2)C(C)C)CCN	PC-id_82401643	193.289	JJUSBVSJRKWFHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012328
n12c(CCC1)c(nc2CCN)CCC	PC-id_84113797	193.289	AVHFSHZFAKRINM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012329
n12c(CCC1)c(nc2CCNC)CC	PC-id_84113803	193.289	PYZJCGCBCYMUIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012330
n12c(CCC1)c(nc2CN)CC(C)C	PC-id_84113799	193.289	XBDFCGOQLKVEQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012331
n12c(CCC1)c(nc2CN)C(C)(C)C	PC-id_84113800	193.289	SGDBJPIELHZUDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012332
n12c(CCC1)c(nc2CNC)CCC	PC-id_84113801	193.289	RTMMLQVJMFMAIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012333
n12c(CCC1)c(nc2CNC)C(C)C	PC-id_84113802	193.289	DANKLRVNYYPEHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012334
n12nc(c(c1CCC2)C(C)C)CCN	PC-id_84113874	193.289	ZWVPTYFUBRGIKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012335
n1(c2CCCc2nc1CCCN)CC	PC-id_82463410	193.289	LLLMYSPGHAEXIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012336
n1(c2C(CCc2nc1)CCN)C(C)C	PC-id_83878637	193.289	SOMXZTFVRVUFGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012337
n1(c2CCC(c2nc1)CCN)C(C)C	PC-id_83878643	193.289	XLQRVBNDVSVABY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012338
n1(c2C(CCc2nc1)CNC)C(C)C	PC-id_83878636	193.289	MWTZITGVJLDKOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012339
n1(c2CCC(c2nc1)CNC)C(C)C	PC-id_83878642	193.289	ICHANACIKDTMKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012340
N1(Cc2c([nH]c(c2CN)C(C)C)C1)C	PC-id_84772930	193.289	ZCFZRMBKGNGBHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012341
n1c(CCN)n2c(CCC2)c1C(C)C	MCULE-2034708132,PC-id_84113798	193.289	JDCMVUIOHPQMCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012342
n1c(CNC(C)CC)c2c(CCC2)[nH]1	EMOLS-id_38281135,MCULE-7811859131,PC-id_61395275	193.289	JAOIPVHKVKQXEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012343
n1c(CNCC(C)C)c2c(CCC2)[nH]1	PC-id_61395238,MCULE-8183337485,EMOLS-id_38281111	193.289	PQDUCBUWPBNFFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012344
n1(nc2C(CCc2c1)CCN)C(C)C	PC-id_83878631	193.289	LNPIDJMRVXMWJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012345
n1(nc2c(C(CC2)CN)c1C(C)C)C	PC-id_83907641	193.289	DQWXEDDQJSDBCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012346
n1(ncc2c1C(CC2)CCN)C(C)C	PC-id_83878635	193.289	SHSFBJNFBKTRPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012347
n1(ncc2c1C(CC2)CNC)C(C)C	PC-id_83878634	193.289	BUQBOMPWRUSMNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012348
n1(ncc2C(CCc12)CCN)C(C)C	PC-id_83861436	193.289	SFACWTAHFRWUMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012349
n1(nc(c2C(CCc12)CCN)CC)C	PC-id_83861561	193.289	LBIXKIHTVRBUKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012350
n1(ncc2C(CCc12)CNC)C(C)C	PC-id_83861438	193.289	VMUYGZSUEBLEQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012351
n1(nc(c2C(CCc12)CN)C)C(C)C	PC-id_83861444	193.289	WXFIANQTAGIVDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012352
n1(nc(c2C(CCc12)CNC)CC)C	PC-id_83861563	193.289	CVXUXBSXZNRJNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012353
n1(nc(c2C(CCc12)CN)C(C)C)C	PC-id_83861605	193.289	YXWQNTBBZPUBNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012354
n1(nc(c2C(N)CCc12)C(C)(C)C)C	PC-id_83861567	193.289	VLMZLQSWGZQTPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012355
n1(nc(c2C(NC)CCc12)C(C)C)C	PC-id_83861600	193.289	QPBYGRNGMQBKTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012356
Nc1[nH]c2c(n1)CC(C2)CC(C)(C)C	PC-id_18722113,SCHEMBL8224855	193.289	YWTIZQMNEFCUMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012357
NCC1C(C)Cc2c1c(n[nH]2)C(C)C	PC-id_112715214	193.289	KTNWRBBSSWPGAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012358
NCc1n(CC(C)C)nc2c1CCC2	PC-id_105447653	193.289	IZAMLQFENKILIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012359
NCc1nn(c2c1CCC2)C(C)(C)C	PC-id_105447648	193.289	OLPBMLLTQVCYID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012360
NCc1nn(c2c1CCC2)CC(C)C	PC-id_105447649	193.289	CKODZCRYPFEGEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012361
NCC(C1CCc2c1c(C)nn2C)C	PC-id_112715177	193.289	PCIWTOIEFZCTRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012362
NCC(C1CCc2c1c(C)n(n2)C)C	PC-id_112715178	193.289	CLQCHZAMYQCVNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012363
NCCC1C(C)Cc2c1c(C)nn2C	PC-id_112715184	193.289	LALHVTWKFYYTGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012364
NCCC1C(C)Cc2c1c(C)n(n2)C	PC-id_112715185	193.289	XMTXSZZEOGJOOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012365
NCC(C1C(C)Cc2c1cnn2C)C	PC-id_112715176	193.289	RVYDSFRURNRELI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012366
NCC(c1nc2c([nH]1)CCC2CC)C	EMOLS-id_265053894	193.289	KHLJELMBOFVCIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012367
NCCc1nn(c2c1CCC2)C(C)C	PC-id_112711028	193.289	OJNODACJLBDJSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012368
NC(C(C)(C)C)c1ccn2c1NCC2	PC-id_112488652	193.289	GUCIXCJXVCRECG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012369
[nH]1c2c(c(c1C(C)C)CCN)CNC2	PC-id_84772929	193.289	JOZSYCVBBZHLTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012370
[nH]1c(C(C)(C)C)c(c2c1CNC2)CN	PC-id_84772928	193.289	BYXOZEKUWJGKIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012371
[nH]1nc2C(CCc2c1CC(C)C)CN	PC-id_82401682	193.289	RNXFWDZEWCRVND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012372
[nH]1nc(c2c1C(CC2)CN)C(C)(C)C	PC-id_82401684	193.289	VLJZFOPGJHFCRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012373
[nH]1nc(c2C(CCc12)CCN)C(C)C	PC-id_83861651	193.289	MTMQEHRUOFNEDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012374
[nH]1nc(c2CCCc12)[C@H](N)CC(C)C	PC-id_82401675	193.289	PMNPSPPUADTVEY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012375
[nH]1nc(c2C(CCc12)CN)C(C)(C)C	PC-id_83861624	193.289	CQAGWNNBXYGHQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012376
[nH]1nc(c2C(CCc12)CNC)C(C)C	PC-id_83861653	193.289	XMIUVQYPWPUJEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012377
[nH]1nc(c2C(CCc12)C(N)C)C(C)C	PC-id_83907639	193.289	TUEUMJVAOIAKMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012378
[nH]1nc(c2C(NC)CCc12)C(C)(C)C	PC-id_83861619	193.289	MFBIHPMBWZZPMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012379
[S+](c1n2CCC(c2cc1)C#N)(C)C	PC-id_71324835	193.289	BZKQURKCHPFMJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012380
C1CC(C1)NC1CCc2c1scc2	EMOLS-id_96734735	193.308	RYIKTOFABFEIIC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-012381
CC1CC1NC1CCc2c1scc2	EMOLS-id_96714611	193.308	PAUMPGHZFSTGFP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012382
CC1(CC1)NC1CCc2c1scc2	EMOLS-id_96777640	193.308	LVPRPOOJGAJLHH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012383
CCC=C1Cc2c(N1C)cc(s2)C	PC-id_91177580	193.308	KSLORKGIAQRREK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012384
CCC=C1Cc2c(N1C)sc(c2)C	PC-id_90864948	193.308	WMPMQBWSKINGAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012385
CC(=C)CNC1CCc2c1scc2	EMOLS-id_194536405	193.308	YGJUXQBXSWYIAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012386
C[C@@H]1C[C@H]1NC1CCc2c1scc2	EMOLS-id_96792285	193.308	PAUMPGHZFSTGFP-DJROOOTPSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012387
s1c2c(C(NC3CC3)CC2)cc1C	PC-id_83907670	193.308	DNPXMTLAZIOWHT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012388
s1c2C(NC3CC3)CCc2cc1C	PC-id_83907669	193.308	GAUVVEFQJKWWTI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012389
C1Cc2c(C1)c(cs2)CNC1CC1	EMOLS-id_194491707,PC-id_114749054	193.309	VHOQOUFFOHACNE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012390
C1Cc2c(C1)cc(s2)CNC1CC1	EMOLS-id_37550346,PC-id_43163831	193.309	WBYPFIWMZHMHCR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012391
c1cc2c(s1)C(CC2)NCC1CC1	EMOLS-id_265857508	193.309	ZLAPGSUOPSVGLJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012392
CC1Cc2c(C1NC1CC1)ccs2	PC-id_112715241	193.309	OWWDWNWELBEJTN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012393
CC1Cc2c(C1NC1CC1)csc2	PC-id_112715240	193.309	VETYBPYXLDFLFF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012394
CC1Cc2c(C1NC1CC1)scc2	PC-id_112715239	193.309	BOTHSOXILJRJAB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012395
C(C1CNC1)c1cc2CCCc2s1	MCULE-8424464663,EMOLS-id_313836215	193.309	LUMLIGCIHJCTBE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-012396
CC(C1CCc2c1[nH]c[n+]2C(C)C)C	PC-id_90090213,SCHEMBL15631161	193.309	LBXYCEBACSQCPB-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-012397
CC(c1c[n+](n2c1CCC2)C(C)C)C	PC-id_121320985,SCHEMBL17732567	193.309	LDXVOPZKULLCTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012398
CC(C)c1c[n+](c2n1CCC2)C(C)C	PC-id_89458426,SCHEMBL14803627	193.309	VXUBQSHKSZIAGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012399
C=CCC(c1sc2c(c1)CCC2)N	EMOLS-id_265856982,PC-id_115814043	193.309	ZZZDNOKNIXWAEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012400
C=CC(NC1CCc2c1scc2)C	EMOLS-id_265857375	193.309	LSTCLYCMXZJUQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012401
C=CCNCc1sc2c(c1)CCC2	PC-id_62141621,EMOLS-id_38804666	193.309	WXYCTKQZLBBWNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012402
CC(N)C=Cc1cc2CCCc2s1	EMOLS-id_313875783	193.309	STYXBNQUCCYXCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012403
CNC(c1sc2c(c1)CCC2)C=C	EMOLS-id_265857213,PC-id_105000597	193.309	QZDJVBJWYQPENY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012404
NC1(Cc2cc3CCCc3s2)CC1	EMOLS-id_313837749,MCULE-9594188048	193.309	HPRNNTAHJRDQPW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012405
NC(c1sc2c(c1)CCC2)C1CC1	EMOLS-id_96689403,PC-id_104994102	193.309	ZQTGVCYXJXIVLA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012406
NC(c1sc2c(c1)CCC2)C(=C)C	PC-id_105005134,EMOLS-id_96689253	193.309	ODTRSYMHLAVVCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012407
NCCC(=C)c1cc2CCCc2s1	EMOLS-id_313874248,MCULE-7826871749	193.309	AOXQEHGJYKCFIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012408
s1c2c(c(CC3CC3)c1)C(N)CC2	PC-id_82378118	193.309	OCUKWXLHKPPMCU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012409
s1c2c(C(CC3(N)CC3)CC2)cc1	PC-id_83685383	193.309	VVNDZDRXCYZAGV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012410
[Si]1(CCc2n(ccc12)C)(CC)CC	PC-id_53658832	193.361	ARUFZMSYHIHWAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012411
ClS1=Nc2nn(cc2S1)C	PC-id_13249000	193.678	UVFRLJSLPSHCND-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012412
C=C1C2=C(NC1=O)SC(=C2)C(=O)N	PC-id_153832231	194.015	MIYSNBGPWMYEJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012413
ClCC1Oc2n(nc(Cl)n2)C1	PC-id_71394908	194.019	ZSECPRHMUZQPMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012414
CCOC(=O)C1Cn2c(ccn2)C1=O	PC-id_163544582	194.069	FDXYONCIRMLQMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012415
Cc1c2CNC(=O)c2nn1C(=O)NC	PC-id_163548794	194.08	FHHDOPTUVJWJTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012416
Cc1nn(c2c1CNC2=O)C(=O)NC	PC-id_163996167	194.08	UEWJXZMTZXTLMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012417
Clc1sc(c2c1CNC2)Cl	SCHEMBL9185186,PC-id_18947045	194.082	BULXLYNIRLHEJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012418
CC1(C2=C(CN1C(=O)NC)C=NN2)C	PC-id_154370938	194.117	SATZXWPVCFQQKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012419
CCC(C(=O)N1CC2=C(C1)NN=C2)N	PC-id_164643536,MCULE-9964838745	194.117	PRJCGSYQWJRJIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012420
N1(CC(=O)O)C(=O)c2n(ccc2)C1=O	PC-id_14955379,MCULE-8465554420,EMOLS-id_31207471	194.144	FBWSJUHNWINOPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012421
C1Cc2nc(c(n2C1)[N+](=O)[O-])N=[N+]=[N-]	PC-id_137326473	194.151	SNPRKGIVWNEMEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012422
c1(C(F)(F)F)[nH]nc2CSCc12	EMOLS-id_317872117,PC-id_140318596,MCULE-4464468741	194.178	MORLFMBNMIXPEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012423
FC(F)(F)c1nc2CNCc2s1	PC-id_83685403,EMOLS-id_194624717	194.178	XZDWSXBDTDYJIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012424
c1(C(=O)OC)c(C)oc2CCC(=O)c12	EMOLS-id_31521780,PC-id_53215412,MCULE-2705679714,ZINC22_49474226	194.184	QQMQYEDIFKCCCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012425
c1(C(=O)OCC)coc2CCC(=O)c12	PC-id_43839823,EMOLS-id_31521181,MCULE-3806890575,ZINC22_38701097	194.184	AZCOJFWEXMORID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012426
CCOC(=O)c1occ2c1CCC2=O	SCHEMBL13145554,PC-id_15320596	194.184	KNDOSDFKGXMQKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012427
o1c2c(c(c1C(=O)O)CC)C(=O)CC2	PC-id_82378225	194.184	ZTQNJFAIEJFNJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012428
o1c(c2c(CCC2=O)c1C(=O)O)CC	PC-id_82376314	194.184	DFWGTNLBAJGRPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012429
O1Cc2c(c(oc2)OCCC=C)C1=O	PC-id_21638372	194.184	SMDPQTLKLMNMDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012430
OC(=O)C1Cc2c(C1)coc2C(=O)C	PC-id_112488633	194.184	SVFDCKRDKOOBDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012431
O=C1c2c(n(nc2CC(=O)O)C)CC1	PC-id_83863443	194.187	QHHNPAZKQMXHIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012432
O=C1c2c(nn(c2CC(=O)O)C)CC1	PC-id_83863661	194.187	VSXIFOBNMYWTNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012433
O=C1Cn2c(N1)c(c(c2C)C)C(=O)O	EMOLS-id_260134547,PC-id_13809860	194.187	VQSZKJSHVBFGOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012434
O=C(N1Cc2c(C1)c[nH]c2C(=O)O)C	PC-id_84014582	194.187	BWFLUIKCWANHKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012435
OC(=O)C(=O)Cc1n[nH]c2CCCc12	MCULE-8795437287,EMOLS-id_313889875	194.187	SJNFXPJYXRXXSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012436
CC(C1N=Nc2n1nc(c2)C(=O)O)C	SCHEMBL2269421,PC-id_67341808	194.191	SRCFKYAOFCJQRL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012437
CCOC(=O)[C@H]1C(=Nn2ccnc12)N	EMOLS-id_337184001	194.191	DMFUVHXRMHYGPW-YFKPBYRVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012438
COC(=O)c1c(C)nn2c1N=NC2C	PC-id_67341072,SCHEMBL2267332	194.191	CZZLNKSHFHVGLW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012439
NC(=O)n1ncc2c1C(=O)NC2(C)C	PC-id_141428191	194.191	FPICARADGQWVEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012440
O=C1NC(c2c1nn(c2)C(=O)N)(C)C	PC-id_141428175	194.191	JEQKNYLSSGUENZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012441
O=C1N(CCCN)C(=O)c2n1cnc2	PC-id_83680792	194.191	DZHSVOXCOAWHOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012442
O=C1N(CCN)C(=O)c2c1n(nc2)C	PC-id_84665275	194.191	STIMDKVUSFUHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012443
O=C1N(CCN)C(=O)c2n1c(nc2)C	PC-id_83680793	194.191	AUGBZUYFMZMYHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012444
COC(=O)C1=Cc2c(C1=O)ccs2	PC-id_140384165	194.207	NBUBKIQFJYZNQN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012445
s1c2CC(=CC(=O)O)C(=O)c2cc1	PC-id_10774173	194.207	FFKNQDBRJKFFBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012446
s1c2c(C(=O)C(C2=O)C(=O)C)cc1	PC-id_11819942	194.207	ZINBFEZSPZTDTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012447
c1(N(=O)=O)c2CCCc2sc1C#N	MCULE-9256466284,EMOLS-id_330871873	194.21	BZKIUNIBAALGHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012448
N#Cc1scc2c1CN(C2)C(=O)O	PC-id_67803591,SCHEMBL9240478	194.21	YCNRZUOSOFDMHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012449
O=C1[n+]2n(c(c(c2C)C)C)C(=O)N1C	PC-id_12826467	194.21	AOWNJIRTUBWABB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012450
CC1Cc2c(C1CC(=O)O)cc(o2)C	PC-id_112715249	194.227	VDAGLTCEDUOCPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012451
CC1Cc2c(C1CC(=O)O)oc(c2)C	PC-id_112715246	194.227	KHZNQRDYXOSGKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012452
CCc1cc2c(o1)C(C(C2)C)C(=O)O	PC-id_112715262	194.227	SYXUYJKENVSZNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012453
CCc1cc2c(o1)CC(C2C(=O)O)C	PC-id_112715263	194.227	KEUAKEBFASGEHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012454
CCC1C(=O)Oc2c1oc(c2)C(C)C	SCHEMBL20872176,PC-id_138519980	194.227	FKJOCRDVBKMLPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012455
CCOC(=O)c1oc(c2c1CCC2)C	PC-id_102582430	194.227	RFYABVPKXHNGQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012456
o1c2c(CCC2)cc1CC(C)C(=O)O	PC-id_82605700	194.227	CGNDIMIRJWLTII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012457
o1c2c(CCC2)cc1C(CC)C(=O)O	PC-id_82605702	194.227	ZKESUVPCZGUALE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012458
o1c2c(CCC2)c(c1C)CCC(=O)O	PC-id_83610188	194.227	XOFVRMFDGCWYKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012459
o1c2c(CCC2)c(c1CC)CC(=O)O	PC-id_83610213	194.227	XQPLGKWYECDZPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012460
o1c2c(CCC2)c(c1C(C)C)C(=O)O	PC-id_83610272	194.227	VXPIVUKYFNRENZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012461
o1c2c(CCC2)c(c1CCC)C(=O)O	PC-id_83610344	194.227	SICYAFBOOLXIHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012462
o1c2C(CCc2cc1CC)CC(=O)O	PC-id_83907701	194.227	NSCMDTUMGZAFBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012463
o1c2C(CCc2cc1C(C)C)C(=O)O	PC-id_83907705	194.227	ITMPIMZDWBLFCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012464
o1c2c(CCC2)cc1C(CC(=O)O)C	PC-id_82605701	194.227	YBHIGXKWBRLHAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012465
o1c2c(CCC2)c(c1COC)C(=O)C	PC-id_83610109	194.227	VAOPBXCHCNDJME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012466
o1c2c(CCC2)c(C(C)C(=O)O)c1C	PC-id_84773102	194.227	RNXHRDIWWRYFRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012467
o1c2c(C(CC2)CC(=O)O)cc1CC	PC-id_83907702	194.227	GSWWIGPJSYTDNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012468
o1c2c(C(CC2)C(=O)O)cc1C(C)C	PC-id_83907707	194.227	MSBMOPHAYJRCPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012469
o1c2CC(C)C(C(C(=O)O)C)c2cc1	PC-id_112715257,MCULE-5782216767	194.227	DPKHFZSDEAOHGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012470
o1c2CC(C(CC)C(=O)O)Cc2cc1	PC-id_82401288	194.227	OUPLZXKCCFKNQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012471
o1c(c2CCCc2c1)C(=O)OC(C)C	PC-id_11194885	194.227	UFIJUHVPEPWRQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012472
o1c(c2CCCc2c1C(=O)O)C(C)C	PC-id_82376322	194.227	BHPMLEPAGWNFOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012473
o1c(CC(C)C)c2c(c1C)COC2=O	PC-id_10241717	194.227	LWWWJGONNPLHJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012474
OC(=O)C(C1CCc2c1cc(o2)C)C	PC-id_112715254	194.227	DOYDSDVCZAWSEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012475
OC(=O)C(C1CCc2c1oc(c2)C)C	PC-id_112715251	194.227	CYZNTVBAGUNVDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012476
OC(=O)C(C1C(C)Cc2c1coc2)C	PC-id_112715256	194.227	FKTUQZYUISCMBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012477
OC(=O)C(C1C(C)Cc2c1occ2)C	PC-id_112715255	194.227	HGOHIYKPVKWLIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012478
c12c(CCC1C(=O)O)cnn2C(C)C	PC-id_83878886,MCULE-3104874935,EMOLS-id_64019703	194.23	JBAIDFALKJPEKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012479
c12CC(C)C(CC(=O)O)c1c(C)[nH]n2	PC-id_112715280,MCULE-1980049592	194.23	PYPAVXVZBNCMDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012480
C1(C)c2c(c(C(=O)OCC)n[nH]2)CC1	PC-id_44118220,SCHEMBL1149627,EMOLS-id_316045826,MCULE-8211316792	194.23	PEMGAAXWEYIQNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012481
C1(Cc2c(n[nH]c2C1)C(=O)O)C(C)C	BindingDB_PC-id_49862073,CHEMBL1208920,PC-id_49862073	194.23	GPBFYQJKFABUGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012482
C1(Cc2c(n[nH]c2C1)C(=O)O)CCC	CHEMBL1208919,BindingDB_PC-id_49862072,PC-id_49862072	194.23	IFQBSTZVKJNGLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012483
c1(CC(=O)O)c2CCCc2nn1CC	PC-id_121214370,MCULE-8557102288,EMOLS-id_70118734	194.23	CNDPKNBJFYBGPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012484
c1(C(=O)NN)c2CCCc2oc1CC	MCULE-5675284951,PC-id_83610271	194.23	FOKGVTJAGRQAOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012485
c1(C(=O)O)c2CCCc2nn1C(C)C	EMOLS-id_70118642,MCULE-6614534491,PC-id_15751954	194.23	PTRMDZMUSRXCHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012486
c1(C(=O)O)c2C(C)CCc2n(CC)n1	MCULE-9926050424,EMOLS-id_330988793	194.23	VMCKCDGATSNKPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012487
c1(C(=O)O)c2C(C)CCc2nn1CC	EMOLS-id_330973114,MCULE-7210383733	194.23	PEBIZEJBWQNOBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012488
c1(C(=O)OC)c2CCCc2nn1CC	MCULE-4075925125,EMOLS-id_70118648,PC-id_121214339	194.23	VHKWWWAYVBQNPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012489
c1(C(=O)OC)c2C(C)CCc2n(C)n1	EMOLS-id_330994160,MCULE-6713099328	194.23	PBWPNNHCKPJMNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012490
c1(C(=O)OC)c2C(C)CCc2nn1C	MCULE-5851274220,EMOLS-id_330981296	194.23	UXBCRCCIUPIBHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012491
c1(C(=O)O)c(CCC)c2n(CCC2)n1	MCULE-5081436728,PC-id_84114084	194.23	WVQHBGMAQOKHDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012492
c1(C(=O)OCC)[nH]nc2CCC(C)c12	MCULE-2937031674,EMOLS-id_330983353	194.23	ZEBXMQSMHXKAOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012493
CC1Cc2c(C1CC(=O)O)cn(n2)C	PC-id_112715282	194.23	JOMWSIWUTGIFES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012494
CC1Cc2c(C1C(=O)O)c(nn2C)C	PC-id_112715293	194.23	AACOMPVURIJSEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012495
CC1Cc2c(C1C(=O)O)c(n(n2)C)C	PC-id_112715294	194.23	FHGFFVJQRLSJCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012496
CC1Cc2c(C1(N)C(=O)OC)c[nH]c2	PC-id_112715276	194.23	DNNCDEOFEXKGGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012497
CC1C(C)n2n(C1=O)c(=O)c(c2C)C	SCHEMBL14537304,PC-id_12645765	194.23	PSRPXQANXPZRRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012498
CCc1c(CC(=O)O)cn2c1NCC2	PC-id_98773964	194.23	SQOIMHCNLUCBRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012499
CCc1c(CC(=O)O)nn2CCCc12	PC-id_84114087,EMOLS-id_324139065	194.23	YNODUZRZFIDZFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012500
CCCC1CCc2c1n[nH]c2C(=O)O	BindingDB_PC-id_44441316,CHEMBL247526,PC-id_44441316	194.23	DGZJLLXZZVXQTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012501
CCC(c1cn2c(n1)CCC2)C(=O)O	PC-id_112488600	194.23	WNUAFIFYVMQRDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012502
CC(C)c1cnc2CC(Cn12)C(=O)O	MCULE-1664863804,PC-id_146675329,EMOLS-id_177876266	194.23	UFHDAFBTRZDFBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012503
CC(C)c1cnc2n1C[C@H](C(=O)O)C2	ZINC22_601012629	194.23	UFHDAFBTRZDFBR-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012504
CC(C)c1cnc2n1C[C@@H](C(=O)O)C2	ZINC22_601012630	194.23	UFHDAFBTRZDFBR-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012505
CCCc1nc2c([nH]1)C(=O)OC2(C)C	PC-id_53354405,SCHEMBL2626706	194.23	DZDICYVKNPSJCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012506
CC(Cc1n[nH]c2CCCc12)C(=O)O	MCULE-8835927839,PC-id_83858892,EMOLS-id_313891667	194.23	VKJVCNVPJSGYKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012507
CCC([C@@H]1NC(=O)c2c1noc2C)C	PC-id_100983616	194.23	QYVYQULOBGZQNN-DWHDZERNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012508
CC(C[C@@H]1NC(=O)c2c1noc2C)C	PC-id_100983617	194.23	MMIRZQYFOOFFNP-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012509
CCC(C(=O)O)c1cc2CCCn2n1	EMOLS-id_324137016,PC-id_82657008	194.23	ZLQMBDSOACEJEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012510
CC(CC(=O)O)c1cc2CCCn2n1	EMOLS-id_324137272,PC-id_82657004	194.23	PFYOWLWWTYDVRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012511
CCC(C(=O)O)c1cnc2CCCn12	EMOLS-id_259660166,MCULE-1241222980	194.23	ZGVYYQQUTHNKTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012512
CC(C)(C(=O)O)c1cnc2CCCn12	MCULE-5650022873,EMOLS-id_259660169	194.23	SAESAKOTNUTMNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012513
CC(CC(=O)O)c1n[nH]c2CCCc12	EMOLS-id_313891923,MCULE-6344929563,PC-id_83858891	194.23	WHYSELDMECOHIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012514
CC(C)(C(=O)O)c1n[nH]c2CCCc12	MCULE-9429472638,EMOLS-id_313881180,PC-id_83858874	194.23	OTGKTVDBCMLWQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012515
CCC(C(=O)O)c1n[nH]c2CCCc12	PC-id_83858872,MCULE-1711645315,EMOLS-id_313892179	194.23	SMDSFCLJXXLJMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012516
CC(C)n1ncc2c1[C@@H](C(=O)O)CC2	ZINC22_107359325	194.23	JBAIDFALKJPEKV-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012517
CC(C)n1ncc2c1[C@H](C(=O)O)CC2	ZINC22_107359328	194.23	JBAIDFALKJPEKV-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012518
CC(COC)n1ccc2c1CNC2=O	PC-id_90015611	194.23	QXELDNJLERWISB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012519
CC(C(=O)O)c1c2CCCc2nn1C	EMOLS-id_114580370,MCULE-3624510305	194.23	KMWORRCXPPQMGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012520
CC(C(=O)O)C1CCc2c1cnn2C	PC-id_112715286	194.23	JVPKEBGBYAVOIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012521
C[C@@H](n1ccc2c1CNC2=O)COC	SCHEMBL15535374	194.23	QXELDNJLERWISB-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012522
CCNC1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_70292848,SCHEMBL8167674	194.23	UOKVWGIKYLNBQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012523
CCNC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL8163958,PC-id_70292103	194.23	DZUSHTZFWKMCDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012524
CCNC1CCc2c1[nH]c(c2)C(=O)O	PC-id_70293012,SCHEMBL8168303	194.23	RINNORQTORIUQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012525
CCN[C@H]1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_57659958,SCHEMBL12777455	194.23	UOKVWGIKYLNBQZ-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012526
CCN[C@H]1CCc2c1cc([nH]2)C(=O)O	SCHEMBL12777471,PC-id_57659921	194.23	DZUSHTZFWKMCDO-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012527
CCN[C@@H]1CCc2c1[nH]c(c2)C(=O)O	PC-id_57659911,SCHEMBL12777449	194.23	RINNORQTORIUQS-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012528
CCOC(=O)c1cc2CC(C)Cn2n1	EMOLS-id_337163733,PC-id_162349414	194.23	RERLPBMWACZEQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012529
CCOC(=O)c1cc2CCC(C)n2n1	PC-id_162349432,EMOLS-id_337163988	194.23	NMWJZTAFEYRVKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012530
CCOC(=O)C1Cc2cn(C)nc2C1	EMOLS-id_337433311	194.23	IBKGNLIJNIBVCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012531
CCOC(=O)C1=Nc2c([CH]1)scc2	EMOLS-id_317658336	194.23	DNMOKBBQMUTBDQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012532
CCOC(=O)c1n(C)nc2c1CCC2	PC-id_14852814,SCHEMBL3795546	194.23	MIJGGQVEMYINQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012533
CCOC(=O)c1nn2CCCc2c1C	EMOLS-id_330907891,PC-id_141731640	194.23	VNTLSCZXJYGMDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012534
CCOC(=O)c1nn(c2c1CCC2)C	PC-id_68791390,SCHEMBL3797319	194.23	QADBYBFJEMPSRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012535
CCOC(=O)c1n[nH]c2c1CC[C@@H]2C	PC-id_26599216,GD-id_ZINC15444625	194.23	PEMGAAXWEYIQNQ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-012536
CCOC(=O)c1n[nH]c2CC(C)Cc12	SCHEMBL1149808,EMOLS-id_261278978,PC-id_57561714	194.23	RQPLOCUTAZTNMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012537
CCOC(=O)Cc1c2n(cn1)CCC2	PC-id_101769218,EMOLS-id_324037837,MCULE-5726398410	194.23	PYAJNORUHNSHBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012538
Cn1cc2c(c1)C(C(C2)C)(N)C(=O)O	PC-id_112715277	194.23	VUUMIKDNDRYANX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012539
Cn1nc2CCCc2c1CCC(=O)O	MCULE-9626043559,PC-id_84665439,EMOLS-id_259658904	194.23	CNONYTFULUAMGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012540
COC(=O)c1c2CCC(N)c2cn1C	EMOLS-id_323999136	194.23	ZFECXYVHVYHGBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012541
COC(=O)C(C)c1cnc2CCCn12	EMOLS-id_259660172,MCULE-5721340873	194.23	PWUSCIQCCVYDSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012542
COC(=O)Cn1cc2C(C)CCc2n1	MCULE-6548756692,EMOLS-id_331003048	194.23	BYLPEPBYLGABQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012543
COC(=O)Cn1ncc2C(C)CCc12	EMOLS-id_331020005,MCULE-7378693598	194.23	PEGNICWQSHTXRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012544
n1(CC2CCC2)nc2c(COC2)c1O	EMOLS-id_324401491,MCULE-4431555380	194.23	CDMBBSPRPHJJHX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-012545
o1c2c(CCC2)c(c1COC)C(=N)N	PC-id_83610061	194.23	HDENLKBSOIEXEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012546
o1c2c(C(N)(CC2)CC(=O)N)cc1C	PC-id_83685454	194.23	WHGMBTPXNLBUMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012547
O1c2n(c(c(n2)C(C)(C)C)C=O)CC1	PC-id_82401268	194.23	JCVIXPAHFQMNHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012548
o1c(c2CN(Cc2c1)CC)C(=O)CN	PC-id_82401086	194.23	ZZCBTTWUCDXCRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012549
o1c(c2CN(Cc2c1)C(=O)C)CCN	PC-id_82605774	194.23	IWYQYAYSAVKRME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012550
O1C(c2[nH]c(nc2C1(C)C)C=O)(C)C	PC-id_79927342,EMOLS-id_114580602	194.23	MLJPNIKZCXKSCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012551
o1nc2c(CCC2)c1NC(=O)C(C)C	PC-id_45098780	194.23	BDRWBCOXOHJPHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012552
o1nc2CCCc2c1NC(=O)CCC	PC-id_45098781	194.23	RVXGMWXGCYCNDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012553
o1nc2[C@@H](NC(=O)c2c1C)[C@H](CC)C	PC-id_10856358	194.23	QYVYQULOBGZQNN-XNCJUZBTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012554
o1nc2C(NC(=O)c2c1C)C(CC)C	PC-id_85290757	194.23	QYVYQULOBGZQNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012555
O=Cc1c2COCc2nn1C(C)(C)C	PC-id_105448121	194.23	WULVLSICLQTXLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012556
O=Cc1n(CC(C)C)nc2c1COC2	PC-id_105448123	194.23	MYFYWQMHYQZXEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012557
O=Cc1nn(c2c1COC2)C(C)(C)C	PC-id_105448115	194.23	OQNLXUHEMBEDLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012558
O=Cc1nn(c2c1COC2)CC(C)C	PC-id_105448117	194.23	IIUFTIDBHSMJFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012559
OC(=O)c1c2c(n(c1CC)C)CNC2	PC-id_83484453	194.23	GRNZMCTXTBKRMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012560
O(C(=O)c1c2c(n(c1C)C)CNC2)C	PC-id_83484443	194.23	YINKLABYINVHSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012561
OC(=O)c1c2c([nH]c1C(C)C)CNC2	PC-id_82401272	194.23	MJCQULFRZNKIDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012562
O(C(=O)c1c2c([nH]c1CC)CNC2)C	PC-id_82401273	194.23	GMHMDRVJSCDGPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012563
OC(=O)C1c2c([nH]nc2C(C)C)CC1	PC-id_83861648	194.23	YRVKMFDRFGVFOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012564
OC(=O)C1c2c(n(nc2CC)C)CC1	PC-id_83861558	194.23	DXXVHVXJYDRIME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012565
OC(=O)C1c2n(C(C)C)cnc2CC1	PC-id_83878887	194.23	DWXAHSUBVDWLHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012566
OC(=O)C1c2n(c(nc2CC1)CC)C	PC-id_82401195	194.23	UWHQEJIAYPHANI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012567
OC(=O)C1Cc2c(C1)[nH]nc2C(C)C	PC-id_112488617	194.23	IOCPORUJVPPLEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012568
OC(=O)C1CCc2c1[nH]nc2C(C)C	PC-id_82401226	194.23	MDKUUJXAHUSLHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012569
OC(=O)C1CCc2c1nn(c2)C(C)C	PC-id_83878885	194.23	FLOBJKMUDVLYLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012570
OC(=O)C1CCc2n(C(C)C)cnc12	PC-id_83878890	194.23	AERLMPZKFLXNDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012571
OC(=O)C1CCc2n(c(nc12)CC)C	PC-id_84010973	194.23	OWLHLPBCDKPGBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012572
OC(=O)C1CCc2[nH]c(nc12)C(C)C	PC-id_82401196	194.23	IZIQPLGYGOTEPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012573
OC(=O)C1CCc2[nH]c(nc12)CCC	PC-id_84010884	194.23	VCJRCQCHUHZKES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012574
OC(=O)C1CCc2n(ncc12)C(C)C	PC-id_83861433	194.23	ZQUDMCVFTHRVDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012575
OC(=O)C1Cn2c(nc(c2)C(C)C)C1	PC-id_82401174	194.23	MSZKCTYNPDIXIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012576
OC(=O)C1n2c(CC1)c(nc2)C(C)C	PC-id_82401160	194.23	JDZAOIHNWAYRLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012577
OC(=O)c1n(c2CCCc2n1)C(C)C	PC-id_83847440	194.23	OAYJNKIBMJLRAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012578
O(C(=O)C1(N)CCc2c1cn(c2)C)C	PC-id_83907714	194.23	XQIDFVWFTYMDGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012579
OC(=O)c1nc(n2CCCc12)C(C)C	PC-id_84114014	194.23	YDWRTNRMGWIJOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012580
OC(=O)c1nc(n2CCCc12)CCC	PC-id_84114015	194.23	RYLARHRXSGPWOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012581
OC(=O)c1n(C)nc2c1CCC2(C)C	PC-id_68156516,SCHEMBL11899726	194.23	WWDOPKMVSUYTRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012582
OC(=O)c1nn2c(CCC2)c1C(C)C	PC-id_84114085	194.23	ZAVYQGUPIWBZHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012583
OC(=O)c1nn(c2c1CCC2(C)C)C	PC-id_68156831,SCHEMBL11900269	194.23	BRZRKYLOSIDELX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012584
OC(=O)c1n(nc2c1CCC2)CCC	PC-id_82281778	194.23	NPDCUZLMGJIEDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012585
OC(=O)c1nn(c2CCCc12)C(C)C	PC-id_82279996	194.23	ONALTRNEIZGDKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012586
OC(=O)c1nn(c2CCCc12)CCC	PC-id_82281780	194.23	NDHWZQLBFOGLEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012587
O(C(=O)c1n[nH]c2[C@@H](CCc12)C)CC	PC-id_26599219	194.23	PEMGAAXWEYIQNQ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012588
OC(=O)Cc1c2c([nH]c1C)CN(C2)C	PC-id_84773117	194.23	FRWYSGNCIUBHOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012589
OC(=O)CC1Cc2c([nH]nc2CC)C1	PC-id_82401229	194.23	UNJXQFXRZBASEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012590
OC(=O)C(c1cc2n(c1C)CCC2)N	PC-id_112488610	194.23	FQPYAEIUYNHSMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012591
O(C(=O)CC1Cc2[nH]cnc2C1)CC	PC-id_20738531	194.23	ILABNQDAHSKHOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012592
OC(=O)C(C1CCc2c1c(C)[nH]n2)C	PC-id_112715284	194.23	WXGWFYJGAYRTLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012593
OC(=O)CC1(CCc2c1c[nH]c2)CN	PC-id_83907711	194.23	IQLQUGIUBZFCNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012594
OC(=O)C(C1CCc2c1cn(n2)C)C	PC-id_112715285	194.23	RULQHNPBXJRNAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012595
OC(=O)C(c1cc(c2n1CCC2)C)N	PC-id_112488608	194.23	RORSKXOPCMXAOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012596
OC(=O)CC1CCc2nc(n(c12)C)C	PC-id_82401193	194.23	ADNUBFYLKFRTTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012597
OC(=O)CC1CCc2[nH]c(nc12)CC	PC-id_82401197	194.23	MVMSUQKZBQGLAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012598
OC(=O)CC1CCc2[nH]nc(c12)CC	PC-id_83861615	194.23	JAFUIOGNDJSMLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012599
OC(=O)CC1CCc2n(nc(c12)C)C	PC-id_83861589	194.23	FMPUINFUPKVKEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012600
OC(=O)CC1CCc2nn(c(c12)C)C	PC-id_83907717	194.23	GPCRMHNJZMFTGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012601
OC(=O)CC1C(C)Cc2c1cnn2C	PC-id_112715283	194.23	PWHBGEZGBJTYCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012602
OC(=O)C(C1C(C)Cc2c1cn[nH]2)C	PC-id_112715287	194.23	GSGKOLKXHFDRMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012603
OC(=O)CC1CCn2c1nc(c2C)C	PC-id_83830665	194.23	SMYGCSGFBHGURT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012604
O(C(=O)CC1CCn2c1ncc2)CC	PC-id_85709925	194.23	XCLOHMQPTXMFRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012605
OC(=O)Cc1cn2c(c1C)N(CC2)C	PC-id_96623175	194.23	LUJSKGVWOBRELS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012606
OC(=O)C(c1cn(c2c1CCC2)C)N	PC-id_112488609	194.23	JJEUXVRWKQEJTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012607
OC(=O)C(c1nc(n2c1CCC2)C)C	PC-id_112488599	194.23	PHPHQXLKMKNASI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012608
OC(=O)C(c1[nH]cc2c1CN(C2)C)C	PC-id_82401105	194.23	XUZAHKQQCOTEEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012609
OC(=O)CCc1c(C)nc2n1CCC2	PC-id_112545694,EMOLS-id_313604777	194.23	GJDRDVUUJZHLBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012610
OC(=O)CCc1n2c(CCC2)c(n1)C	PC-id_82656998	194.23	XMUMZHIEDPXQOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012611
OC(=O)CCc1nc2n(c1C)CCC2	PC-id_96623251	194.23	ABUFQRZHMZOHKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012612
OC(=O)CCc1nc(n2c1CCC2)C	PC-id_82401223	194.23	ABZKLMBBOBRMNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012613
OC(=O)CCc1nn(c2c1CCC2)C	PC-id_84665438	194.23	VCDKLISDHHNCHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012614
OC(=O)CCCc1n[nH]c2CCCc12	EMOLS-id_315467230,MCULE-7252036664,EMOLS-id_313498295,PC-id_82401217	194.23	QBYAHOQZOMPUTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012615
O(C(=O)Cn1nc2CCCc2c1)CC	PC-id_24976397	194.23	KKIMTTJONSYSQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012616
OC(=O)C(N)c1c2c([nH]c1C)CCC2	PC-id_84773146	194.23	ZLICVWOHVPKNOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012617
OC(=O)CN(C1Cc2c(C1)cc[nH]2)C	PC-id_112488616	194.23	GUYOHKNFQTZXSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012618
O(C(=O)Nc1n2CCCc2cc1)CC	PC-id_85693161	194.23	GLBHBYLQHSWPBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012619
CC1(C(C)Cn2c1nnc2)C(=O)NC	SCHEMBL20438245,PC-id_135274316	194.234	ORJCMFLTDOODLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012620
CC1(CCN)C(=O)Nc2c1n(C)cn2	PC-id_112488591	194.234	IDYWVUCNDHUJDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012621
CC(C1CCc2n1nc(n2)C(=O)N)C	SCHEMBL19659200	194.234	GTEFVVMJWLKLIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012622
CC(CC(=O)N1Cc2c(C1)cn[nH]2)N	MCULE-2566709625,EMOLS-id_107770002	194.234	MMFWYCVVOIHLGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012623
CC[C@@H](C(=O)N1Cc2c(C1)c[nH]n2)N	EMOLS-id_313761874,MCULE-9385933732	194.234	PRJCGSYQWJRJIM-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012624
CC[C@H](C(=O)N1Cc2c(C1)cn[nH]2)N	MCULE-5182685860,EMOLS-id_107330676	194.234	PRJCGSYQWJRJIM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012625
CCCNC(=O)N1Cc2c(C1)c[nH]n2	MCULE-1929960039	194.234	GXSARZGLYYDHAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012626
CC(C(=O)c1nnn2c1N(C)CC2)C	PC-id_112712833	194.234	MXHXGHHZIOBILJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012627
CCN1Cc2c(C1)cn(n2)CC(=O)N	PC-id_89117752,SCHEMBL13563309	194.234	ZDMJZLZRCRJTBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012628
CCN(C(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-1804859234	194.234	HZGOXVDVCIRNDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012629
CC(NC(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-3540456006	194.234	GRFLRWDYYYYODZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012630
CCOc1nn2c(c1N)N=CC2CC	SCHEMBL6624217,PC-id_69844227	194.234	HCEPFPFQYHJMMX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012631
CC(=O)N1Cc2c(C1(C)C)n[nH]c2N	PC-id_68164448,SCHEMBL11913271	194.234	RURDBMTVABVXRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012632
CC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_37573431,PC-id_60763838	194.234	JIOJDGZVMNDGTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012633
CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_60707804,EMOLS-id_37333166	194.234	KWPLHOMFGPLPLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012634
CC(=O)NCCc1nnc2n1CCC2	EMOLS-id_316837677,PC-id_136576869,ZINC22_1775985809,MCULE-7113269690	194.234	YNEPBURJORMWMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012635
CN(CC(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-9880073815	194.234	LTGNANSXYCJIKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012636
CNC(C(=O)N1Cc2c(C1)cn[nH]2)C	MCULE-5437988292,EMOLS-id_107334640	194.234	IMYUMUULLLJHDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012637
CNC(C(=O)N1Cn2c(C1)ccn2)C	PC-id_143142511	194.234	CPZRTDLCKLEJJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012638
CN[C@H](C(=O)N1Cc2c(C1)cn[nH]2)C	MCULE-4673108525,EMOLS-id_107334656	194.234	IMYUMUULLLJHDI-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-012639
CNC(=O)CNC1CCn2c1ncc2	EMOLS-id_265889438	194.234	ZVGZJOBHBJSWEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012640
CN(C(=O)N1Cc2c(C1)c([nH]n2)C)C	SCHEMBL17518296,PC-id_118882598	194.234	XRNHXYIOXKUHKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012641
NC1(CC1)CCc1nn2c(n1)OCC2	PC-id_105448148	194.234	GAZMKKYTZIAYNO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012642
NC1(CC1)CCc1nnc2n1CCO2	PC-id_105448147	194.234	LKDMUNXDCIPKGN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012643
NCC(C(=O)N1Cc2c(C1)c[nH]n2)C	EMOLS-id_313765457,MCULE-2681999551	194.234	HCEDUPABRVSKHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012644
NC(=O)CNC1CC(n2c1ncc2)C	EMOLS-id_265891424	194.234	DMSBTOVKVRJIGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012645
NC(=O)C(NC1CCn2c1ncc2)C	EMOLS-id_265891782	194.234	NMTRFRGSWRPDHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012646
O1CC(C1)NCc1nnc2n1CCC2	EMOLS-id_265892738	194.234	HYDRNMCDYFBBFW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-012647
O=C1N(Cc2n1c(nc2)C)CCCN	PC-id_83680763	194.234	HMXUEIVSWDFTTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012648
O=c1[nH]n(c2c1N(CN2)CC1CC1)C	SCHEMBL18819093	194.234	SKHNVGMLQLWANM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012649
O=C(C(N)(C)C)N1Cc2c(C1)c[nH]n2	MCULE-8216218646,EMOLS-id_114582560	194.234	GUZOTCHAVSDTMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012650
O=C(N1Cc2c([nH]nc2N)C1)C(C)C	PC-id_84665518	194.234	ZZZPRNDDWYCQGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012651
O=C(N1Cc2c(nn(c2N)C)C1)CC	PC-id_84665517	194.234	ABEWFMOQMLTKJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012652
O=C(N1Cc2[nH]c(nc2C1)CCN)C	PC-id_82401074	194.234	PQNNJRKTBDWJJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012653
CN(C(=N)c1nc2c(n1C)CNC2)N	PC-id_145281892	194.237	BMWVNIQSEVUAEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012654
CC1(Cc2c(C1=C)ccs2)C(=O)O	PC-id_89121861	194.25	ZPWDUECEULNBLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012655
Cc1cc2c(s1)C(=C(C)C)C(=O)O2	SCHEMBL17175245,PC-id_118446316	194.25	HZWJOCYFXBIVLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012656
C(c1c(C)c2c(s1)C(=O)OC2)C=C	SCHEMBL4549609,PC-id_69087510,MCULE-4657874495	194.25	AZFKMCJHSCNIAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012657
CC(=C1[C@H](c2c(C1=O)scc2)O)C	PC-id_135043711	194.25	YLIDYNPQMDALGH-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012658
CCOC(=O)C1=CCc2c1scc2	SCHEMBL10743897,PC-id_20186626	194.25	HTLHQMZPRMKNPH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012659
OC(=O)[C@@]1(C)Cc2c(C1=C)ccs2	SCHEMBL13575458	194.25	ZPWDUECEULNBLV-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-012660
OC(=O)/C=C/c1cc2CCCc2s1	EMOLS-id_276931414	194.25	KWPQTVBCJAOSGZ-SNAWJCMRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012661
OC(=O)C=Cc1cc2CCCc2s1	EMOLS-id_304170365,MCULE-7029584926	194.25	KWPQTVBCJAOSGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012662
OC(=O)C(=C)c1cc2CCCc2s1	EMOLS-id_313793229,MCULE-3502659260	194.25	RPAAXJPFNHACDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012663
s1c2c(c(c1C(=O)C)C)C(=O)CC2	PC-id_82401003	194.25	IUIGZHZKHJOHFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012664
s1c2c(CC=C2)c(c1)C(=O)OCC	PC-id_22034277	194.25	WJMRUFBGAQWWGU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012665
CC(=O)NN=C1CCc2c1scc2	EMOLS-id_114584178	194.253	HZDOYJDIEAGQNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012666
N#Cc1c(N)sc2c1C(C)(C)OC2	EMOLS-id_96123784	194.253	UWAYBDTYBPLRCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012667
N#CCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_114584014	194.253	YTYYLBGICPDFQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012668
s1c2N(C(=O)C(=N)c2c(c1C)C)C	PC-id_22333378	194.253	JXVULVIVJTVGQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012669
S=C1N(C(C)C)C(=O)c2n1ccc2	PC-id_11367561	194.253	CIPLFMDSVMZBIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012670
S(=O)(c1cc2n(CCC2C#N)c1)C	PC-id_14570918	194.253	GGIVOAPPWADNEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012671
S(=O)(c1n2CCC(c2cc1)C#N)C	PC-id_14570917	194.253	FGFPJZQEHWBVNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012672
c1(C#N)c(OC)sc2CN(C)Cc12	MCULE-1732582762,EMOLS-id_331064871	194.254	DATNPDTVBDWWHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012673
CC1(C=c2cc(sc2=C1)C(=O)N)N	SCHEMBL15698893,PC-id_90142341	194.254	JZTFKJKNHDGKQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012674
C=CC(=O)Nc1sc2c(n1)CCC2	PC-id_61508659,MCULE-8431424301	194.254	ZOUVTVDBNBNMPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012675
NC(=O)CC1C(=S)Cn2c1ccc2	SCHEMBL16678666,PC-id_118044995	194.254	VPVCHPFFTJABRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012676
S1c2n(CC1=C)c(c(n2)C(=O)C)C	PC-id_50901217	194.254	AMGYVTYRNBYHLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012677
Cc1c(C)n2c(c1N)[N+](C(=N2)C)(C)N	PC-id_69466581,SCHEMBL5503602	194.257	QLEMKUCDJMDBTA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012678
C=CCNc1nnc2n1CC(=C)S2	EMOLS-id_32448203,PC-id_50876086,ZINC22_45951906,MCULE-5972966637	194.257	WNLDUUCYUHOYQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012679
NC(=N)NN=C1CCc2c1scc2	EMOLS-id_303198358	194.257	XDOHJQQNEUWOTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012680
NC(=S)NN=C1CCn2c1ccc2	EMOLS-id_303206860	194.257	BDUXUIHCQBAMNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012681
o1c2c(CCC2)c(c1C(C)C)C(O)C	PC-id_84665592	194.27	KMWZZNRGDCPOMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012682
O1C(C(c2c1c(oc2C)C)(C)C)(C)C	PC-id_11790087	194.27	ZSVSQZDFETTYFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012683
o1c(C(C)(C)C)c(c2c1CCC2)CO	PC-id_83610488	194.27	USOWAJJFLBFXBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012684
c12CCC(C)c1c(nn2C(C)CC)O	EMOLS-id_330959356,MCULE-1907270564	194.273	UQWIPAQCMVAZIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012685
c12CCC(C)c1c(nn2C(C)C)CO	MCULE-7140606771,EMOLS-id_331013106	194.273	PCZQUZNDXQOEQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012686
c12C(C)CCc1n(nc2O)CC(C)C	MCULE-9676134250,EMOLS-id_330957562	194.273	KFKNIUCAEVPCDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012687
c12C(C)CCc1nn(CC(CC)O)c2	MCULE-1158594678,EMOLS-id_331004584	194.273	DHPPSYLTBJZINK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012688
c1(CO)c2C(C)CCc2nn1C(C)C	EMOLS-id_330997170,MCULE-5481605796	194.273	PYUIQMMJKICGFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012689
c1(C(O)CCN)cn(c2CCCc12)C	MCULE-1843379391	194.273	QEPIIVGNQXVWHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012690
c1(O)c2C(C)CCc2nn1C(C)(C)C	EMOLS-id_331008430,MCULE-7131192485	194.273	XNUYYQMJPXEAJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012691
c1(O)c2C(C)CCc2nn1C(C)CC	MCULE-4045158528,EMOLS-id_331006885	194.273	IZFIVZXXEYGYQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012692
CC1Cc2c(C1(O)CCN)cn(c2)C	PC-id_112715302	194.273	SZQLYXNPKRKKIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012693
CC1CCc2c1c(O)nn2C(C)(C)C	MCULE-4751909842,EMOLS-id_330960891	194.273	HMDXSGOYCGNROZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012694
Cc1nn(c2CC(O)Cc12)C(C)(C)C	EMOLS-id_337959963	194.273	FSWOISIDWDCGNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012695
CC(C1CCc2c1c(no2)C(C)C)N	PC-id_112715319	194.273	IKIRQFHPMZRWLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012696
CC(c1cnn2c1OCC2C(C)C)C	SCHEMBL12960810,PC-id_88989093	194.273	IHOMAOLJSYHOEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012697
CCc1nc2n(c1)CC(O2)(CC)CC	SCHEMBL12359367,PC-id_59555459	194.273	GGJBJVSSGLAHRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012698
CCc1nn(C(C)C)c2CC(O)Cc12	EMOLS-id_337958939	194.273	SLAMFFOOVDOIGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012699
CC(c1oc2c(n1)CCN2C(C)C)C	SCHEMBL798784,PC-id_66804003	194.273	DSHGRYAGLKKJGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012700
CC(C(c1c(C)cc2n1CCC2)O)N	PC-id_112488565	194.273	HTFJPFSXRPPXLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012701
CCC(c1oc2c(n1)CCN2CC)C	SCHEMBL19965758,PC-id_134341681	194.273	DRGGDWFVWSKOFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012702
CCC(C)C1c2conc2C(N1C)C	PC-id_90818017	194.273	VIKNFSOHVOHRSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012703
CC(CCc1[nH]c2c(n1)COC2)(C)C	PC-id_59525199,SCHEMBL13111954	194.273	FGQYJYZOJVSVDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012704
CC(C)CCNc1noc2CCCc12	MCULE-3557291904,EMOLS-id_207622527	194.273	UUIUWTZHDPJRPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012705
CCC(C)CNc1noc2CCCc12	MCULE-4081909950,EMOLS-id_207622557	194.273	XZPMYGPKCULBMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012706
CC(C[C@H](c1onc2c1CCC2)N)C	PC-id_112710836	194.273	RGAXFAGOQZUCDO-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012707
CC(CCn1nc2c(c1O)CCC2)C	EMOLS-id_41629526	194.273	BEOPABLWQWXMLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012708
CC(C)Cn1nc2CCC(C)c2c1O	MCULE-1087981394,EMOLS-id_331009196	194.273	OFSLJJIRNKZBCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012709
CC(C)(C)n1nc(CO)c2CCCc12	MCULE-1765200396,EMOLS-id_324388436	194.273	LVBRUDKLBOAAJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012710
CC(C)(CO)Cc1n[nH]c2CCCc12	MCULE-1345750480,EMOLS-id_313871185	194.273	JHPLDSDIEAVBOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012711
CCC(n1nc2c(c1O)CCC2)CC	EMOLS-id_41629466	194.273	WEHGLNUMWWZDPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012712
CCCn1nc2CCC(C)c2c1CO	MCULE-8259580917,EMOLS-id_330994611	194.273	CWSLNOABYGLUEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012713
CCCn1nc(CO)c2C(C)CCc12	EMOLS-id_331010547,MCULE-3022976933	194.273	ARTNIDQOBOSPNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012714
CC(CNCc1noc2c1CCC2)C	EMOLS-id_313557370,PC-id_80462540	194.273	PBWNNBCSLHTPJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012715
CCCNCc1noc2c1CCC2C	EMOLS-id_313677337,PC-id_80463173	194.273	PJQVGKXGGVUUCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012716
CCC(O)Cn1ncc2C(C)CCc12	MCULE-6151738118,EMOLS-id_331021541	194.273	KBNJUFJKRORYDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012717
CC(n1nc2c(c1O)CCC2)C(C)C	EMOLS-id_114586377	194.273	CIOAMRIHXKURAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012718
CCNCc1noc2c1CCC2CC	PC-id_116177544	194.273	OTGBXELPQQVRSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012719
CC(NCc1noc2c1CCC2C)C	PC-id_80462124,EMOLS-id_107261262	194.273	KYYQLHLCXSZFIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012720
CC(NCc1noc2c1CCC2)(C)C	PC-id_80462254,EMOLS-id_107702578	194.273	FISNOYQOZWAUNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012721
CCNCc1noc2c1CCC2(C)C	PC-id_80462987,EMOLS-id_107438583	194.273	OCNAFLAOGUKDDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012722
CCOc1nn2c(c1C(C)C)CCC2	SCHEMBL19099498	194.273	XVYBXBGAFSMCDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012723
CNC1C(C)Cc2c1c(no2)C(C)C	PC-id_112715326	194.273	LNGJTKGFNCAWJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012724
CNCc1noc2c1C(C)(C)CC2C	PC-id_106664542,EMOLS-id_107524245	194.273	ZGQPNRFAJCVVDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012725
CNCC(c1c(C)cc2n1CCC2)O	PC-id_112488566	194.273	ZHBQHECOSYMROB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012726
NCC1C(C)Cc2c1c(no2)C(C)C	PC-id_112715324	194.273	CEWUFKGNDCTEQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012727
o1c2c(c(c1C(C)C)CCN)CNC2	PC-id_84773200	194.273	IANIIZFTTQIQOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012728
o1c2c(CCC2)cc1C(N(C)C)CN	PC-id_82400958	194.273	ONSXNLORSSJHRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012729
o1c2C(CCc2nc1C(C)C)CCN	PC-id_83879000	194.273	DBCOUXDCXBFKAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012730
o1c2C(CCc2nc1C(C)C)CNC	PC-id_83878999	194.273	KJKQBZCFWQPCRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012731
o1c2CCC(c2nc1C(C)C)CNC	PC-id_83879003	194.273	KDAGNZYLSPVBDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012732
o1c2c(CN(C2)C)c(c1C(C)C)CN	PC-id_84773201	194.273	GETPQFSRNNDDMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012733
o1c2c(nc1C(C)C)C(CC2)CCN	PC-id_83879004	194.273	ITJOJSVBTLMWAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012734
O1c2n(CC1)ccc2C(N)CC(C)C	PC-id_82400962	194.273	VMYWYJQYGVJOSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012735
O1c2n(cc(C(N)CC(C)C)c2)CC1	PC-id_82400963	194.273	QAZSBVZDLVHOLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012736
O1Cc2c(c([nH]c2C1)C(C)(C)C)CN	PC-id_84773186	194.273	HKRXNPRUUFAOPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012737
O1Cc2c(c([nH]c2C1)C(C)C)CCN	PC-id_84773187	194.273	OBCKYQFBDLYKGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012738
o1c(C(C)(C)C)c(c2c1CNC2)CN	PC-id_84773199	194.273	MHQQCYNZJOCPRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012739
o1nc(c2C(CCc12)CCN)C(C)C	PC-id_83861490	194.273	VRCOVLGTPZVKMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012740
o1nc(c2C(CCc12)CN)C(C)(C)C	PC-id_83861462	194.273	UOQCXQBEXVBHQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012741
o1nc(c2C(CCc12)CNC)C(C)C	PC-id_83861492	194.273	IZUKCVOPHHHCBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012742
o1nc(c2C(NC)CCc12)C(C)(C)C	PC-id_83861457	194.273	FKNSHRMJNPXCJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012743
OC1(CCc2c1cn(c2)C(C)C)CN	PC-id_83907728	194.273	QBJZSUAKHARJSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012744
OC1(CCc2[nH]ccc12)C(N)CCC	PC-id_82400900	194.273	ULSNGGJWQIYAJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012745
O=c1n2C(CCc2cn1C(C)(C)C)C	PC-id_75090339	194.273	FFIJQQHSUWPBBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012746
O=c1n2[C@H](CCc2cn1C(C)(C)C)C	PC-id_45101774	194.273	FFIJQQHSUWPBBG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012747
O=c1n([nH]c2c1CCC2)CCC(C)C	PC-id_66020474	194.273	GWJHCMZRUQJIPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012748
O=c1n([nH]c2c1CCC2)C(CC)CC	PC-id_66021913	194.273	AMZBYPBZLZPLRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012749
O=c1n([nH]c2c1C(CC2)CCCC)C	PC-id_86033383	194.273	JDHYEFXXVNBOGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012750
OC(c1c2c([nH]c1C)CCC2)CCN	PC-id_84773192	194.273	HQBJPEYGNBCCSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012751
OC(c1c2c([nH]c1C)CCC2)CNC	PC-id_84773188	194.273	IQIMNADSLMHSCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012752
OC(c1c2c([nH]c1C)CCC2)C(N)C	PC-id_84773194	194.273	WJSBQEYQKNLROJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012753
OCC1(N)CCc2c1cn(c2)C(C)C	PC-id_83907730	194.273	KQKWRHRZZRZVTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012754
OCCC(N)c1c2c([nH]c1C)CCC2	PC-id_84773191	194.273	GIDCYTIUSSBLAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012755
c12C(C)CCc1n(nc2N)CCCN	MCULE-9171263096,EMOLS-id_330968306	194.277	SFQAPQARBAJPKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012756
c12C(C)CCc1nn(CCCN)c2N	EMOLS-id_331018148,MCULE-4429257152	194.277	UIWUHJLNICFHNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012757
c12CN(Cc1c(nn2C(C)C)NC)C	PC-id_112711023,MCULE-6033663687	194.277	LKSWVPMCTHOEBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012758
c12CNCc1nn(CCN(C)C)c2C	PC-id_96622975,MCULE-9212899043	194.277	JAAKKWOYMRQBME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012759
c1(CN(C)C)n(CC)nc2CNCc12	EMOLS-id_324353380,MCULE-1712635241	194.277	ZCVRXUAYRIDNGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012760
CCC(c1nnc2n1CCC2)(CC)N	PC-id_79804368,EMOLS-id_42532501	194.277	BLGPKEPJIZHUGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012761
CCC(c1nnc2n1CCC2)(CN)C	PC-id_81946717,EMOLS-id_107241010	194.277	AABXNXKNFNVMOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012762
CCC(Cc1nnc2n1CCC2)CN	EMOLS-id_313706032,PC-id_81073220	194.277	RWTMXNGDRWHJHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012763
CCCC(c1nnc2n1CCC2)CN	PC-id_65221233,EMOLS-id_41101021	194.277	ZWMXDRNKNTTWOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012764
CC(CCc1nnc2n1CCC2)(N)C	EMOLS-id_38750722,PC-id_62049238	194.277	VLBXDBXXIFVMEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012765
CC(CC(c1nnc2n1CCC2)N)C	PC-id_43142778,EMOLS-id_37528433	194.277	KKMLPDRBNUPWGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012766
CCC(C(c1nnc2n1CCC2)N)C	PC-id_43142793,EMOLS-id_37528457	194.277	CGTZYFXVPZIGRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012767
CCCC(c1nnc2n1CCC2)(N)C	PC-id_43645143,EMOLS-id_37768671	194.277	LTWUWIFRZPGWDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012768
CC(C(Cc1nnc2n1CCC2)N)C	PC-id_81989170,EMOLS-id_265928786	194.277	TWZHVQAAWXSJJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012769
CCCC(Cc1nnc2n1CCC2)N	EMOLS-id_313687701,PC-id_81978642	194.277	JBXUVZCCFFDZMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012770
CCCCC(c1nnc2n1CCC2)N	EMOLS-id_37659675,PC-id_43470331	194.277	PRGHTOMKWBPCMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012771
CC(CCCc1nnc2n1CCC2)N	PC-id_82846761,EMOLS-id_313625809	194.277	VQHBOMQKIBVWRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012772
CC(C)CCNn1nnc2CCCc12	EMOLS-id_208147366,MCULE-8593745717	194.277	SXLMZHCPZAZHKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012773
CCC(C)CNn1nnc2CCCc12	EMOLS-id_208147372,MCULE-8066464620	194.277	FFYVJUXSQZEVHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012774
CCCn1ncc2c1CN(C2)CCN	PC-id_96622999	194.277	JACYKVPRUMYNEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012775
CC(Cn1nc(c2c1CN(C2)C)N)C	PC-id_105448552	194.277	YOVYHVOAHKAFPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012776
CC(CN(C1CCn2c1ncc2)C)N	EMOLS-id_265928032	194.277	LCIVVIAUVCSHBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012777
CCCNC(c1nnc2n1CCC2)C	EMOLS-id_37811174,PC-id_43748192	194.277	YTKLFIYUCPWDLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012778
CC(CNCc1nnc2n1CCC2)C	PC-id_60730491,EMOLS-id_37389871	194.277	VQELACDGODDTDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012779
CCC(NCc1nnc2n1CCC2)C	PC-id_60836392,EMOLS-id_37876910	194.277	YWEAKWSKXSXZFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012780
CCN1Cc2c(C1)c(n(n2)C(C)C)N	PC-id_105448488	194.277	MQGDZLFSTKGWTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012781
CCN1Cc2c(C1)n(nc2N)C(C)C	PC-id_105448491	194.277	OBRJYGUWOBEGFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012782
CCn1nc2c(c1N)CN(C2)C(C)C	PC-id_105448486	194.277	DTJQVJDJJBDDBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012783
CCn1nc(c2c1CN(C2)C(C)C)N	PC-id_105448489	194.277	NYQHUMWVVCLEKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012784
CC(NC(c1nnc2n1CCC2)C)C	EMOLS-id_37811162,PC-id_43748173	194.277	AFXXFEUQYMYWAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012785
CCNC(c1nnc2n1CCC2)(C)C	PC-id_62818689,EMOLS-id_39400229	194.277	LEMHSALMUIJOPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012786
CC(NCc1nnc2n1CCC2)(C)C	PC-id_78990435,EMOLS-id_39042849,SCHEMBL21259522	194.277	OZROYWNQSBOGNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012787
CCNCC(c1nnc2n1CCC2)C	EMOLS-id_39404027,PC-id_62852426	194.277	PBZGKYOATNAEBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012788
CC(NCCc1nnc2n1CCC2)C	PC-id_60835886,EMOLS-id_37876892	194.277	HPJQZVAPAWSRJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012789
CCNC(Cc1nnc2n1CCC2)C	PC-id_62826955,EMOLS-id_39403175	194.277	QJUJKNXXXVPACT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012790
CN1Cc2c(C1)c(n(n2)C(C)(C)C)N	PC-id_105448563	194.277	ICDIYKNPKATPLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012791
CN1Cc2c(C1)c(n(n2)CC(C)C)N	PC-id_105448565	194.277	MSDSLVNKQZWOFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012792
CN1Cc2c(C1)n(nc2N)C(C)(C)C	PC-id_105448550	194.277	FSVZCIYKJHPUCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012793
CN1CCn2c1cc(n2)CC(N)(C)C	PC-id_96856826	194.277	GAPXBGIHQLFJCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012794
CN1CCn2c1c(N)c(n2)C(C)(C)C	PC-id_112708868	194.277	NCYGHUYTBGVGMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012795
CN(C1N(C)c2n(C1(C)C)ncc2)C	PC-id_144358202	194.277	KXVWIYUPFFXGNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012796
CNc1n(nc2c1CN(C2)C)C(C)C	PC-id_112711067	194.277	UZBVZILWJKOYOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012797
CNCc1c2CNCc2nn1C(C)C	EMOLS-id_324350305,PC-id_112711081,MCULE-6841246620	194.277	BLTRWLWYVIVWDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012798
CNCc1nn(c2c1CNC2)C(C)C	PC-id_112711036	194.277	GOTPNRCDMYZJCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012799
CNC(c1nnc2n1CCC2)C(C)C	EMOLS-id_265923033	194.277	XWMCBHKWEZARTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012800
CN(CCn1nc2c(c1N)CCC2)C	PC-id_65348553,EMOLS-id_41192191	194.277	ZCZKUUJVHIIJFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012801
CNCCNCc1n[nH]c2c1CCC2	EMOLS-id_314815659,PC-id_104376974	194.277	WNLHILFXOUUWKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012802
n12CC(Cc1c(nc2)CN(C)C)CN	PC-id_82400824	194.277	YWMWRNSXQRRNHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012803
n12CCCc1nnc2CCCCCN	EMOLS-id_37528435,MCULE-8685873696,PC-id_43142779	194.277	QLSLXFORXGNVAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012804
n12CCCc1nnc2CCC(CN)C	EMOLS-id_313539002,PC-id_82688927	194.277	CSHRRHPTHAKFGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012805
n12c(nnc1CCC2)C(C(C)C)CN	EMOLS-id_41101025,PC-id_65221280	194.277	NLBGRLOYYNASCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012806
n12c(nnc1CCC2)C(N)C(C)(C)C	EMOLS-id_37659673,PC-id_43470330	194.277	KPRZSLQJTBZPEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012807
n1(c2CN(Cc2nc1)C)CC(N)(C)C	PC-id_82400865	194.277	GIZSVYLMMHHOPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012808
N1C(c2c(nn(c2)CCN(C)C)C1)C	PC-id_82400829	194.277	CFNMIEBYQVEJMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012809
N1(C(c2c(n(nc2N)C)C1)C)C(C)C	PC-id_83847512	194.277	WXHRRGIBEINJMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012810
N1(C(c2c(nn(c2N)C)C1)C)C(C)C	PC-id_83847521	194.277	TTWWNXSSRABUPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012811
N1(C(c2[nH]nc(N)c2C1)CC)C(C)C	PC-id_83847516	194.277	STUXSKBMSCXEDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012812
N1(Cc2n(ncc2C1)CC)CC(N)C	PC-id_82400870	194.277	KYUPMPNIQAKTBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012813
N1(C(c2n(nc(N)c2C1)C)C(C)C)C	PC-id_83847510	194.277	NSZZTUJMXPRVRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012814
N1(C(c2n(nc(N)c2C1)C)C)C(C)C	PC-id_83847513	194.277	OFFGLAKOYCXEAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012815
N1(C(c2nn(c(N)c2C1)C)C)C(C)C	PC-id_83847522	194.277	HFJGCNDGHVUMNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012816
N1(C(C(C)C)c2nn(c(N)c2C1)C)C	PC-id_83847519	194.277	WTOWNYHBXZXCDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012817
n1(C(CN)(C)C)c2N(CCc2nc1)C	PC-id_82400866	194.277	LOEVKKOZMKHFTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012818
n1(nc2c(c1CCN(C)C)CNC2)C	PC-id_83847496	194.277	KNCJFHCJBXXHRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012819
n1(nc2c(c1N(C)C)CNC2)C(C)C	PC-id_83863039	194.277	KVRFKSVVNJXMAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012820
n1(nc(c2c1CNC2)CCN(C)C)C	PC-id_83847495	194.277	JJFIMKQECPGNNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012821
n1(nnc2c1C(CC2)CCN)C(C)C	PC-id_83879105	194.277	HJKZVRMHAQDFNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012822
n1(nnc2c1C(CC2)CNC)C(C)C	PC-id_83879104	194.277	JVUUGACJMOESFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012823
n1(nnc2C(CCc12)CCN)C(C)C	PC-id_83879113	194.277	ZCPMRINWEGEFBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012824
n1(nnc2C(CCc12)CNC)C(C)C	PC-id_83879112	194.277	MUXLWQFGWCKTRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012825
Nc1n(C)nc2c1CN(C2)C(C)(C)C	PC-id_105448487	194.277	XKOLBZWWAXBFHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012826
Nc1nn(c2c1CN(C2)C(C)(C)C)C	PC-id_105448490	194.277	FAGOXBMHMUMZIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012827
N(c1n(nc2c1CNC2)C)(CC)CC	PC-id_83863055	194.277	PPPGNJABZLHTRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012828
NCc1c2CNCc2nn1C(C)(C)C	PC-id_105448564	194.277	LJOLHNAPHIILLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012829
NCc1n(CC(C)C)nc2c1CNC2	PC-id_105448566	194.277	UWWAQUBOKNXPHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012830
NCc1nn(c2c1CNC2)C(C)(C)C	PC-id_105448551	194.277	IIXMPIGCGFUDCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012831
NCc1nn(c2c1CNC2)CC(C)C	PC-id_105448553	194.277	PIILNYJZWQCQCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012832
NCc1nn(c2c1CN(C2)C)C(C)C	PC-id_112711037	194.277	JYCATVHMSLDHHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012833
NCc1n(nc2c1CN(C2)C)C(C)C	PC-id_112711082	194.277	CIGHVWXHMNNWLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012834
NCCc1nn(c2c1CNC2)C(C)C	PC-id_112711029	194.277	AIEJKPGFZYYEGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012835
NCCc1n(nc2c1CNC2)C(C)C	PC-id_112711074	194.277	JDIZAPKIXJQPLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012836
NCCC(c1nnc2n1CCC2)(C)C	EMOLS-id_265928900	194.277	WADHYOAITJECGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012837
NCCCC(c1nnc2n1CCC2)C	PC-id_104685739,EMOLS-id_313683964	194.277	YDOUHSLLWDMKBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012838
NCCCNCc1n[nH]c2c1CCC2	PC-id_104421886,EMOLS-id_315883395	194.277	NYHJMAGHIJRKEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012839
NC[C@@H](NCc1n[nH]c2c1CCC2)C	PC-id_104867885	194.277	KEMLEAWNWLDGBV-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012840
NC[C@H](NCc1n[nH]c2c1CCC2)C	PC-id_104868331	194.277	KEMLEAWNWLDGBV-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012841
NCC(N1Cc2c(C1)n(nc2)CC)C	PC-id_112488559	194.277	XEMJTJSFJLWOJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012842
NCCN(C1CC(n2c1ncc2)C)C	EMOLS-id_265927366	194.277	IUWFCMSDJCOPGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012843
NCC(N(C1CCn2c1ncc2)C)C	EMOLS-id_265928168	194.277	SLCOMFBBXBDENS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012844
NCCN(Cc1n[nH]c2c1CCC2)C	EMOLS-id_313564524,PC-id_104412627	194.277	ICMVHBMHHWJOML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012845
NCC(NCc1n[nH]c2c1CCC2)C	EMOLS-id_313691884,PC-id_104394417	194.277	KEMLEAWNWLDGBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012846
[nH]1nc2C(N)CCc2c1CCN(C)C	PC-id_82400862	194.277	FRMNUHYJDXBFEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012847
[nH]1nc(c2CC(N)Cc12)CCN(C)C	PC-id_82400861	194.277	OIPBAFLGJVKJNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012848
CC1Cc2c(C1=O)cc(s2)C(C)C	PC-id_112715332	194.293	VUIHFXVVOVTLON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012849
Cc1sc(c2c1C(=O)CC2(C)C)C	SCHEMBL16449706,PC-id_117860889	194.293	OUMOZONBYIMRDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012850
CCC1(CC)CC(=O)c2c1ccs2	PC-id_19790427,SCHEMBL9466238	194.293	IKHMCNNBUMMVAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012851
CC(C1CC(=O)c2c1ccs2)(C)C	PC-id_101399200	194.293	ODRQLHVOJOSEGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012852
C=CCC(c1sc2c(c1)CCC2)O	EMOLS-id_265929113,PC-id_115778566	194.293	IICFECRRMSONGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012853
CC(C)(C=O)c1cc2CCCc2s1	MCULE-6298244954,EMOLS-id_313848510	194.293	WFOATCFRQXHHFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012854
C/C=CCOC1CCc2c1ccs2	PC-id_142891725	194.293	KLMTYMAYJUONQP-IHWYPQMZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012855
CCCC(=O)c1sc2c(c1)CCC2	EMOLS-id_265929614,PC-id_114962259	194.293	KEHQWEFSZGSFRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012856
CC(=O)CCc1cc2CCCc2s1	EMOLS-id_313875784,MCULE-6888900688	194.293	AXAMKQVPXZNRSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012857
OC1(Cc2cc3CCCc3s2)CC1	MCULE-1731972134,EMOLS-id_313873480	194.293	GEFYJDXXHQLSRS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012858
OC(c1sc2c(c1)CCC2)C1CC1	PC-id_115810030,EMOLS-id_265929147	194.293	UDCRIWBTTKQMNJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-012859
O=C(c1sc2c(c1)CCC2)C(C)C	PC-id_114962108,EMOLS-id_96682913	194.293	UCYPYDPQPQCFJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012860
OC(c1sc2c(c1)CCC2)C(=C)C	PC-id_115817258,EMOLS-id_265929970	194.293	CAUMSNXUPASNSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012861
O=Cc1sc2c(c1)CC(C2)C(C)C	SCHEMBL11532029,PC-id_21317973	194.293	YHUCZDMXOKEWKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012862
O=CCCCc1cc2CCCc2s1	MCULE-3687285072,EMOLS-id_313875272	194.293	DAOGZWCKDJXIJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012863
s1c2c(CCC2)c(c1CC(=O)C)C	PC-id_82606008	194.293	APRDNRHXTABIKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012864
s1c2CC(Cc2cc1C(=O)C)CC	PC-id_86029077	194.293	OLRFULNDJOKBEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012865
s1c2c(C(CCCC)CC2=O)cc1	PC-id_15352971	194.293	UEPCFTIUPUAJHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012866
s1c2C(=O)C(C)Cc2cc1C(C)C	PC-id_112715330,MCULE-7863573250	194.293	DEBYVAIOWZBIMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012867
C1Cc2c(C1CNC1CC1)ncs2	EMOLS-id_265931501	194.297	ZWZXNYBIIWZVPF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012868
C1Cc2c(C1)nc(s2)CNC1CC1	EMOLS-id_36503415,PC-id_46784918	194.297	ITKZNFLQMNGUNN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012869
C1CC(C1)Sc1[nH]c2c(n1)CCC2	EMOLS-id_97158077	194.297	WTIMEFANYXZCTJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-012870
c1(C(N)C2CC2)sc2c(CCC2)n1	EMOLS-id_38234198,MCULE-1150443728,PC-id_61337051	194.297	JABXOQRXXRCBLK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012871
CC1CCc2c1nc(s2)NC1CC1	EMOLS-id_40959120,PC-id_65046857	194.297	KGXXIJWZPOWEBF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012872
CC(c1c[n+](n2c1NCC2)C(C)C)C	PC-id_89458147,SCHEMBL14803326	194.297	JKOHOVHCKYLKAK-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-012873
C=CCC(c1sc2c(n1)CCC2)N	EMOLS-id_313715309	194.297	GRGGYHYLVKVFRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012874
CC(=C)Cn1c(=N)sc2c1CCC2	EMOLS-id_114588735	194.297	BAWNIKPOTWDGQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012875
C=CCCn1c(=N)sc2c1CCC2	EMOLS-id_265931358	194.297	FTRMIJDSTBWCIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012876
CC=CCSc1[nH]c2c(n1)CCC2	EMOLS-id_265064060	194.297	OXUHNGJUJKCLRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012877
CC(=C)CSc1[nH]c2c(n1)CCC2	EMOLS-id_265064066	194.297	RWXSAUBETGQPAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012878
CC(C)N1CCc2c1[nH]c[n+]2C(C)C	PC-id_89458124,SCHEMBL14803301	194.297	JPDOEMPEUDVDST-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-012879
C=CCNc1nc2c(s1)CCC2C	EMOLS-id_96842411	194.297	DLIBZVGKKQVTQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012880
CCCNN=C1CCc2c1scc2	EMOLS-id_304196661	194.297	HTMAYYXUJDRGLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012881
C=CC(Sc1[nH]c2c(n1)CCC2)C	EMOLS-id_265064063	194.297	VJIRISITJPAJFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012882
CC(N1CCn2c1cc[n+]2C(C)C)C	SCHEMBL18960758	194.297	OLHHHLTTZVGQIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012883
CCN(N=C1CCc2c1scc2)C	EMOLS-id_114588865	194.297	ZPEHSTKZBGXDDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012884
Cn1c[n+]2c(n1)CC[C@@H]2CC(C)(C)C	SCHEMBL17523275,PC-id_118886939	194.297	ABUGRFIMCJUAAC-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012885
CN=C(c1c(C)sc2c1CCC2)N	PC-id_144415454	194.297	JHOLKGXGFXKRJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012886
N=c1sc2c(n1CC1CC1)CCC2	EMOLS-id_114588679	194.297	NJHYADFVIKUPPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012887
NNC(c1sc2c(c1)CCC2)C=C	PC-id_105317997,EMOLS-id_50845590	194.297	SGPCGWXUKUCHTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012888
s1c2c(CCC2)c(c1CC(=N)N)C	PC-id_83676188	194.297	FMFPQQKGHUWMCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012889
s1c2CCCc2nc1[C@@H](N)CC=C	PC-id_82670067	194.297	GRGGYHYLVKVFRR-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012890
s1c2c(CN(C2)C)c(c1N=CC)C	PC-id_59879273	194.297	PWJZUEWCTLMFKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012891
s1c2N(C(=C)N(c2cc1)CC)CC	PC-id_71394106	194.297	USAKEROUVFLMFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012892
O=c1sc2c(s1)S[N]S2	PC-id_102433414	194.298	BYWKDYCLJLDYAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012893
O=C1CC(c2c1cco2)[Si](C)(C)C	PC-id_101740346	194.302	ITQCDLFEPCWDNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012894
O=C1CCc2c1n[nH]c2[Si](C)(C)C	PC-id_102388290	194.306	AOMJSSXWKPAXJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012895
c12SCSc1sc(=O)s2	CT-id_2205032,EMOLS-id_2938053,MCULE-7391520906,ZINC22_2508341,PC-id_2060090,SCHEMBL9292256	194.318	VBZVKFOMXXSGFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012896
O=c1sc2c(s1)CSS2	PC-id_19804595,SCHEMBL9718411	194.318	AFQHBTZCHRZJSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012897
Cc1cc2c(s1)CC(C2(C)C)(C)C	SCHEMBL19981758,PC-id_134355369	194.336	DPZDJXUZMVBWKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012898
CC1CCc2c1cc(s2)C(C)(C)C	SCHEMBL12024874,PC-id_58540282	194.336	SWKLHQHNVTZZKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012899
CC1C(C)c2c(C1C)sc(c2C)C	SCHEMBL18011738,PC-id_122484445	194.336	MJISAUCZEHHNGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012900
CCc1c(c2c(s1)CCC2)C(C)C	PC-id_134512000,SCHEMBL20154826	194.336	LLEXEATZQKYHAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012901
CCC1(CCc2c1scc2)C(C)C	PC-id_68214721,SCHEMBL12189320	194.336	FECRPBKBJQVYLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012902
CCC1(C)CC(c2c1scc2)(C)C	PC-id_139402621,SCHEMBL21259409	194.336	DUIHQBODQZXISJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012903
CC(c1sc2c(c1)CC(C2)(C)C)C	SCHEMBL13363414,PC-id_89070441	194.336	QEKCCRFAUAIDDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012904
CCc1sc(c2c1CC(C2)C)CC	PC-id_58834635,SCHEMBL13291941	194.336	PWTAXSYHMHEYNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012905
ClCc1c2CCCc2nn1CC#C	MCULE-2514102644,PC-id_121214350,EMOLS-id_70118674	194.661	JUOPQDOOEBUFQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012906
ClC1NSc2s[nH]c(=O)c12	PC-id_78199630	194.662	OIESWXMTLKXJPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012907
C1C2=C(CN1C(=O)[O-])N(N=C2)C(=O)[O-]	PC-id_154408278	195.029	JGAMEEMAVACOKP-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-012908
C1C2=CN(N=C2CN1C(=O)[O-])C(=O)[O-]	PC-id_149254077	195.029	ZHXSJOZBCQYQIF-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-012909
CCOC(=O)C1=CC2=C(C1)N=CS2	PC-id_147617249	195.035	GDECEOUIAWZESS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012910
CC1(CC2=C(C1)SC(=C2)C(=O)[O-])C	PC-id_153928284	195.049	RXULLQCHITUUFS-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-012911
Clc1sc(Cl)c2c1COC2	PC-id_24974692	195.066	VNGWCTCYNFTJCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012912
CC1=CSC2=C1CC(=O)N2C(C)C	PC-id_165110857	195.072	ZXOFFBSHWFVEMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012913
CC1(C2=C(CN1C(=O)[O-])C(=NN2)N)C	PC-id_160936129	195.089	STWXELVZGPZFLZ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-012914
COC1=C2CCCN2C=C1C(=O)OC	PC-id_149502528	195.09	ZHGUDBQFEBCFKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012915
CC1(CCN2C1=CC(=N2)NC(=O)O)C	PC-id_153988406	195.101	GPGKLZKJHKWDHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012916
CCOC(=O)C1CCC2=NN(C=C12)N	PC-id_152270802	195.101	WJHBJVCACUQIHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012917
CNC(=O)C1=NN2CCCC2=C1OC	PC-id_153805132	195.101	JYPVBPMLCOUXST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012918
COC(=O)C(C1CCN2C1=NC=C2)N	MCULE-4051684441,PC-id_164653914	195.101	CDEFXQPZFIODHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012919
o1cc2c(C(=O)N(C2=O)CC(=O)O)c1	PC-id_83814396	195.129	WFOQRTRXFPERTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012920
O=C1N(C(=O)c2n1cnc2)CC(=O)O	PC-id_83680798	195.132	GQRQMPJIFSTEBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012921
c1(N(=O)=O)nn2c(OC(C)(C#N)C2)n1	MCULE-9672345751,PC-id_2842505,EMOLS-id_43356940	195.136	PHIVGWNCXKBLCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012922
C[C@]1(C#N)Cn2nc([N+](=O)[O-])nc2O1	ZINC22_1230206,PC-id_1378926	195.136	PHIVGWNCXKBLCJ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-012923
C[C@@]1(C#N)Cn2nc([N+](=O)[O-])nc2O1	ZINC22_4947562,PC-id_7427354	195.136	PHIVGWNCXKBLCJ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012924
CCOC(=c1cc2c(=CC(=O)O2)[nH]1)O	PC-id_87214901	195.172	NBXVPZWGBZXRPQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012925
CCOC(=O)c1cc2c([nH]1)C(=O)CO2	SCHEMBL12777570,PC-id_57659905	195.172	CQJIZCNNNHIRLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012926
CC(=O)N1Cc2occ(C(=O)O)c2C1	EMOLS-id_331195375	195.172	ILVYAIINDYCOKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012927
o1cc2c(C(=O)N(CCOC)C2=O)c1	PC-id_86225545	195.172	IMGXMFICPITQMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012928
o1c(c2CN(Cc2c1)C(=O)C)C(=O)O	PC-id_84014623	195.172	RHXUFCIBQKCCRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012929
o1c(nc2c1C(=O)OC2=O)C(C)(C)C	PC-id_83879211	195.172	ATOHHUHTNJHBOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012930
OC(=O)C1c2n(ccc2C(=O)O)CC1	PC-id_12795082,MCULE-6855283058,EMOLS-id_43214777,SCHEMBL2808182	195.172	YVNBPFCIKDDTSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012931
OC(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL11125810,PC-id_70520239	195.172	DTCUIYXBEVLEMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012932
O=C(O)c1ccn2c1[C@H](C(=O)O)CC2	PC-id_29415254,ZINC22_21299889	195.172	YVNBPFCIKDDTSM-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012933
O=C(O)c1ccn2c1[C@@H](C(=O)O)CC2	ZINC22_21299893,PC-id_29415260	195.172	YVNBPFCIKDDTSM-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-012934
CC(=O)N1Cc2n[nH]cc2C1C(=O)O	EMOLS-id_331241079	195.175	HJWKMKQHVLGNSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012935
CC(=O)N1CCn2ncc(C(=O)O)c12	EMOLS-id_265945145	195.175	SOMBELJJIYHKBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012936
COC(=O)C(=O)N1Cc2c(C1)c[nH]n2	MCULE-3318769028,EMOLS-id_107288924	195.175	LIPMWNCCUUMYIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012937
O=C1n2c(C(N1)C(=O)O)c(nc2C)C	PC-id_82400659	195.175	WLRBNHYKPDWJBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012938
O=C1N(Cc2n1c(nc2)C)CC(=O)O	PC-id_83680766	195.175	HCSQJGDPFKVMSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012939
O=C1N(Cc2n1cnc2)CCC(=O)O	PC-id_83680769	195.175	DWODRFDCELTNRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012940
O=C1NCc2nn(c(c12)CC(=O)O)C	PC-id_82657171	195.175	KYERXDCOUHWERO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012941
O=C(N1Cc2[nH]c(nc2C1)C(=O)O)C	PC-id_82400656	195.175	OJXXMYXXJYNJCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012942
O=C(N1CCc2[nH]c(nc12)C(=O)O)C	PC-id_82400657	195.175	WIPWJPOCTLCQBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012943
O=C(N1CCc2[nH]nc(c12)C(=O)O)C	PC-id_82400655	195.175	CKUOEXKWVUYHIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012944
OC(=O)CC(=O)N1Cc2c(C1)c[nH]n2	MCULE-2779203738,EMOLS-id_313763922	195.175	XORUOZGPZJKDQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012945
OC(=O)CN1Cc2c(C1=O)nn(c2)C	PC-id_121605769	195.175	OEDMYKJUWYTBJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012946
OC(=O)CON=C1CCn2c1ncc2	EMOLS-id_304195383	195.175	RGWURPXHYIPWPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012947
c12ncnn1C(C(=O)N2)CC(=O)NC	EMOLS-id_46468117,SPECS-id_AN-153/NB26752,PC-id_136266816,MCULE-8660403992	195.179	PYXDNVDNJNCHPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012948
CCC1N=Nc2n1nc(c2N)C(=O)O	SCHEMBL6279057,PC-id_69730839	195.179	YRTQEXUNQVTBAJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012949
CNC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_136677560,ZINC22_95117658	195.179	PYXDNVDNJNCHPS-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012950
CNC(=O)C[C@H]1C(=O)Nc2ncnn12	PC-id_136677561,ZINC22_95117659	195.179	PYXDNVDNJNCHPS-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012951
NCCC1N=Nc2n1nc(c2)C(=O)O	SCHEMBL19547303	195.179	DVZIBMWADRSDSI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012952
n12CC(=C(c1nc(c2C#N)C#N)C#N)C	SCHEMBL2269690,PC-id_23063998	195.18	NBQSTOLXQDWCKX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012953
n12C(C(=Nc1c(c(c2)C)C#N)C#N)C#N	PC-id_67341897,SCHEMBL2269696	195.18	SSWPHWFFMSMRLU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-012954
C1CC1C(=O)c1nn2CCC(c2n1)F	SCHEMBL20645860,PC-id_137412455	195.194	PADUAPVZTPTKBD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012955
O=C(c1nn2c(n1)[C@@H](CC2)F)C1CC1	PC-id_142515055	195.194	PADUAPVZTPTKBD-ZCFIWIBFSA-N	00100010100000000001000010000000000000000000000000000000	25-01-012956
OC(=O)C1=Nc2ccsc2[C@H]1C=O	EMOLS-id_337366647	195.195	PFYVQDJJSOEZEI-BYPYZUCNSA-N	00000011100000000000000010000000000000000000000000000000	25-01-012957
s1c(c2c(C(=O)NC2)c1C=O)C=O	PC-id_82606088	195.195	WABHFKJXSFWITI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012958
c12c(NC=N)scc1C(=O)NC2=O	EMOLS-id_37177686,MCULE-3286611516,PC-id_56766475,ZINC22_71405436	195.199	WNEUBVSLGZACGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012959
c1(C(=O)OCC)c2CCCc2oc1N	MCULE-4641927488,PC-id_83447118	195.215	SWBFTNIMRDQNSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012960
CC1Cc2c(C1(N)C(=O)OC)cco2	PC-id_112715342	195.215	MMWHEHHLHRRGJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012961
CC1Cc2c(C1(N)C(=O)OC)coc2	PC-id_112715341	195.215	XHDVFXMCOAIJGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012962
CC1Cc2c(C1(O)CC(=O)O)c[nH]c2	PC-id_112715337	195.215	BARPYXQXDAYVOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012963
Cc1cc2c(o1)C(C(C2)C)(N)C(=O)O	PC-id_112715344	195.215	WRJTVPJOSJVNGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012964
CC1CC(c2c1onc2C(=O)O)(C)C	EMOLS-id_114592925,PC-id_106664540	195.215	GMRCJOJVLFDBOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012965
Cc1oc2c(c1)C(C(C2)C)(N)C(=O)O	PC-id_112715347	195.215	LZJFTFAVMPEZDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012966
CCC(c1cn2c(c1)OCC2)C(=O)O	PC-id_112488500	195.215	NOROXRYKPBJSLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012967
CC(C)c1coc2c1NC(C2)C(=O)O	SCHEMBL14288680,PC-id_89293287	195.215	KVNDOLCHXOFUCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012968
CCOC1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_70293044,SCHEMBL8168405	195.215	FMRDBKSGKXUGMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012969
CCOC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL8167689,PC-id_70292854	195.215	DVOUMCKKJUWYNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012970
CCOC1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL8168397,PC-id_70293041	195.215	CUCZFGVXSKOABB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012971
CC(=O)CCCc1c2OCOc2c[nH]1	PC-id_141318392	195.215	QLSVVMQTLJAIKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012972
CC(=O)CCCc1[nH]c2c(c1)OCO2	PC-id_141523539	195.215	BMAQPLWIJOPGLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012973
CCO[C@H]1Cc2c(C1)cc([nH]2)C(=O)O	SCHEMBL12777482,PC-id_57659860	195.215	FMRDBKSGKXUGMT-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012974
CCO[C@H]1CCc2c1cc([nH]2)C(=O)O	SCHEMBL12777496,PC-id_57659929	195.215	DVOUMCKKJUWYNG-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-012975
CCO[C@@H]1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL12777467,PC-id_57659864	195.215	CUCZFGVXSKOABB-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012976
CCOC(=O)C1Cc2c(N1)c(co2)C	SCHEMBL14289829,PC-id_59648563	195.215	ZXFBCTPPWWCLDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012977
CCOC(=O)c1[nH]c2c(c1O)CCC2	PC-id_54718665,SCHEMBL2075491	195.215	WDZXIBVMZBVABB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012978
CCOC(=O)c1oc2c(c1N)CCC2	PC-id_69032937,SCHEMBL4411095	195.215	MMAJIEINRRSNHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012979
CCOOCc1cc2c([nH]1)CCC2=O	SCHEMBL8158152,PC-id_88256940	195.215	IPGXPBHMGLBGQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012980
Cn1cc2c(c1)C(C(C2)C)(O)C(=O)O	PC-id_112715338	195.215	YXTRCGICZHQRGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012981
COc1cc(n2c1CCC2)CC(=O)O	PC-id_96755529	195.215	OKVWWCMSJOGKNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012982
COC(=O)C1(N)C(C)Cc2c1occ2	PC-id_112715340	195.215	YQMNJWDHFGZHNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012983
o1c2c(CCC2)cc1C(CN)C(=O)O	PC-id_82606117	195.215	SKWXJPLVYVWUPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012984
o1c2c(CCC2)c(c1C)C(N)C(=O)O	PC-id_84773421	195.215	XKHJOAQXDUDTAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012985
o1c2C(CCc2cc1)(CC(=O)O)CN	PC-id_83907764	195.215	ZDRPFXONZSGDIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012986
o1c2c(CCC2)cc1C(N)CC(=O)O	PC-id_82606118	195.215	CTDXFXXKXAINNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012987
o1c2c(C(CC2)(CC(=O)O)CN)cc1	PC-id_83907766	195.215	WODATSCLBUAMMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012988
o1c2C(CCc2nc1C(C)C)C(=O)O	PC-id_82400553	195.215	QPFQHRJLQIYEDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012989
o1c2C(CCc2nc1CC)CC(=O)O	PC-id_82400554	195.215	QFDGUUDMOZDFNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012990
o1c2CCC(c2nc1C(C)C)C(=O)O	PC-id_83879230	195.215	SVKBWYCIPQQOSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-012991
o1c2c(CNC2)c(c1C(C)C)C(=O)O	PC-id_84773385	195.215	PLINVIIASMNHNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012992
o1c2c(CN(C2)C)c(c1C)CC(=O)O	PC-id_84773386	195.215	QQGAWTDHFJYDID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012993
o1c2c(C(N)CC2)c(c1C(=O)O)CC	PC-id_82378215	195.215	UCSBDWUYMVNRJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012994
o1c2c(C(N)(CC2)C(=O)O)cc1CC	PC-id_83907775	195.215	QSFFBKGVYFEJRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012995
o1c2c(C(N)(CC2)C(=O)OC)cc1C	PC-id_83907772	195.215	WCAJANGPDCIOGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012996
o1c2c(C(NC)(CC2)CC(=O)O)cc1	PC-id_83830909	195.215	XOTUYMWQEXBORQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012997
o1c2C(N)(CCc2cc1CC)C(=O)O	PC-id_83907774	195.215	VWJSPIOSEGUGHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012998
o1c2C(N)(CCc2cc1C)C(=O)OC	PC-id_83907770	195.215	BGLINRZUPWGWRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-012999
o1cc2C(CCc2c1)(CC(=O)O)CN	PC-id_83907765	195.215	LRHMZCILFKTGAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013000
o1c(c2CCC(=O)c2c1C)C(O)CN	PC-id_82400510	195.215	UFPYCDXZSZROJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013001
o1cc2CC(N)(Cc2c1)C(=O)OCC	PC-id_10559755	195.215	BATJAFPMRNRLDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013002
o1c(c2CN(Cc2c1)C(C)C)C(=O)O	PC-id_82372653	195.215	KMCSRMNADMNFRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013003
o1c(c2CN(Cc2c1)CCC)C(=O)O	PC-id_82372655	195.215	AOHBDIUTEXUCBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013004
o1c(c2C(N)CCc2c1C(=O)O)CC	PC-id_82376317	195.215	FTUOSHODOSXSPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013005
O1Cc2c([nH]c(C(C)C)c2C(=O)O)C1	PC-id_84773387	195.215	OXZHSRPELBUQAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013006
o1c(c2C(O)C(N)Cc2c1C(=O)C)C	PC-id_82400511	195.215	HXQXRLDHZNBLLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013007
O1C(c2nocc2C1)(C(=O)C(C)C)C	PC-id_10241748	195.215	CNOHISRPXIUQGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013008
o1nc2c(CCC2)c1CCCC(=O)O	PC-id_83858701	195.215	XPQIHCLWNNMAQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013009
o1nc2c(CCC2)c1C(CC)C(=O)O	PC-id_83858710	195.215	HWLVIGADFZAWGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013010
o1nc2c(CCC2)c1C(C)(C)C(=O)O	PC-id_83858712	195.215	FUDAISROXPTMHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013011
o1nc2c(CCC2)c1CC(C)C(=O)O	PC-id_83858730	195.215	PGTRIFICKFGSED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013012
o1nc2c(CCC2)c1C(CC(=O)O)C	PC-id_83858729	195.215	ITPPRXKAZALWMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013013
o1nc(c2C(CCc12)C(C)C(=O)O)C	PC-id_83907778	195.215	CYMQGAYRBNBIEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013014
o1nc(c2C(CCc12)CC(=O)O)CC	PC-id_83861453	195.215	LJIKCDJILFVQDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013015
o1nc(c2C(CCc12)C(=O)O)C(C)C	PC-id_83861487	195.215	GPYGOSGVBMXJQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013016
OC1(CCc2c1cn(c2)C)CC(=O)O	PC-id_83907767	195.215	ZSWSUIRQQMICQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013017
Oc1c(n2CCCc2c1)C(=O)OCC	PC-id_85560278	195.215	XGJRVOYXYWZITR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013018
O(C1(OC)Cc2[nH]c(cc2C1=O)C)C	PC-id_15324805	195.215	BSZGELOZBGBHOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013019
OC(c1c2c(n(c1)C)CCC2)C(=O)O	PC-id_82400596	195.215	LFVUICQQOLCGGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013020
OC(=O)CC1C(C)Cc2c1c(C)no2	PC-id_112715350	195.215	VYNFXCINHJKKQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013021
OC(=O)C(C1C(C)Cc2c1cno2)C	PC-id_112715351	195.215	HEJAIIBSSSJAPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013022
OC(=O)C(c1c(C)cn2c1OCC2)C	PC-id_112488501	195.215	ACSBWONSEZPRGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013023
c12CN(Cc1nn(C)c2CC(=O)O)C	PC-id_112711091,MCULE-3371290787,EMOLS-id_317879538	195.218	JBVWOZKWUYGKPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013024
c12CN(Cc1nn(C)c2)C(=O)OCC	EMOLS-id_324340833,MCULE-3283058162	195.218	JQBRPXUFBPJYFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013025
c12COCc1nn(CCC)c2C=NO	EMOLS-id_324399453,MCULE-2582215221	195.218	MHHYDOLYDWGVBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013026
c12n(CCC1C(=O)OCC)c(nn2)C	SCHEMBL1074113,MCULE-3071789629,EMOLS-id_50367297,PC-id_57907459	195.218	XPCNGGZROZCNFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013027
C1COc2c1[nH]nc2NC1(CC1)CO	PC-id_89672659,SCHEMBL15088397	195.218	ZZBRWBGVYKXMES-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-013028
c1(C(=O)NC)c2COCc2nn1CC	MCULE-1801467867,EMOLS-id_324402778	195.218	FFVAKANCXKRAQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013029
c1(C(=O)N(C)C)c2COCc2nn1C	MCULE-5762959472,EMOLS-id_324400474	195.218	NVDQWCXFOCVJKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013030
c1(C(=O)NCCO)c2CCCc2[nH]n1	MCULE-6027482766,EMOLS-id_323260342	195.218	WJCIBAZLKOIPDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013031
c1(C(=O)O)c2CNCc2nn1C(C)C	PC-id_112711066,EMOLS-id_324344678,MCULE-3950138144	195.218	DHPOGILXFALZES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013032
c1(C(=O)OCC)n2CCCc2nc1N	MCULE-4906896938,ZINC22_4344080,PC-id_5200330,EMOLS-id_2721102	195.218	AIRDKVZFOXEKFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013033
C1(N)(C(=O)OC)c2cn[nH]c2CC1C	MCULE-3529663533,PC-id_112715356	195.218	YBEZCDMRSMTJLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013034
CC1Cc2c(C1(N)C(=O)O)c([nH]n2)C	PC-id_112715358	195.218	DLUJDWPLQYHGEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013035
CC1Cc2c(C1(N)C(=O)O)cnn2C	PC-id_112715361	195.218	VGUMJHCMVHQCTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013036
CC1CCc2c1c(N)nn2CC(=O)O	EMOLS-id_330968305,MCULE-3036187805	195.218	NXIIXCUGVKJVIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013037
CC1CCc2nn(CC(=O)O)c(N)c12	EMOLS-id_331014308,MCULE-7720851484	195.218	MWDBTLPBAYVCGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013038
Cc1nn(c2c1CC(N2)C(=O)OC)C	PC-id_137199203	195.218	BOHMUIJMQSWZPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013039
CCc1c2NCCn2nc1C(=O)OC	PC-id_137198908	195.218	ZPFJGVFOQJUXFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013040
CC(C1CCc2n1nc(n2)C(=O)O)C	SCHEMBL18372884	195.218	CNUDVWVETHWCHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013041
CCc1n[nH]c2c1CC(C2)(N)C(=O)O	PC-id_112488495	195.218	SWGGWLFUMDDRBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013042
CC(C)C1CC(c2nc(nn12)C=O)O	PC-id_137412472,SCHEMBL20645881	195.218	RAFIULLLRWLDIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013043
CCC(c1nnc2n1CCC2)C(=O)O	PC-id_112488497	195.218	RNOMTMHTJPUNAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013044
CC(C)(C(=O)c1nn2CCCc2n1)O	SCHEMBL20645767,PC-id_137412375	195.218	DKRXGNBGXTUEHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013045
CC(C)N1CCn2ncc(C(=O)O)c12	EMOLS-id_208152637,MCULE-8986000598	195.218	IGALRGLYWZJZBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013046
CC(C)NC(=O)c1nn2CCOc2c1	PC-id_91959838	195.218	FLIVYVVCGQPTKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013047
CCCNC(=O)c1nn2CCOc2c1	PC-id_91959841	195.218	LZKQVVDPMDXUBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013048
C[C@@H](n1cnc2c1CNC2=O)COC	PC-id_141458945	195.218	VLODHQXPESOLSN-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013049
CCn1c(nc2c1CN(C2)O)C(=O)C	PC-id_118613871,SCHEMBL17380127	195.218	ZYKXICXCNUHSHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013050
CCn1nc2c(c1C(=O)O)CN(C2)C	PC-id_105448945	195.218	VGMHQENJIIMOAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013051
CCn1nc(c2c1CN(C2)C)C(=O)O	PC-id_105448941	195.218	GKIMIGVGYGVPQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013052
CC(n1nc(c2c1CNC2)C(=O)O)C	PC-id_112711022	195.218	FGOLOTXZNSMORM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013053
CCNc1c2CCCc2nn1C(=O)O	PC-id_58824878,SCHEMBL13145648	195.218	ZFRWFBFEXDOTIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013054
CCNc1nn(c2c1CCC2)C(=O)O	PC-id_58824830,SCHEMBL13145652	195.218	HCXBRJYZRWQVHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013055
CCOC(=O)c1c2CCNc2nn1C	PC-id_137229699	195.218	UAXLOUBVCYNAJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013056
CCOC(=O)c1c2NCCn2nc1C	PC-id_137221520,SCHEMBL18740105	195.218	XNYSZPJMYBLCGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013057
CCOC(=O)C1Cc2c([nH]nc2N1)C	PC-id_137199202	195.218	OLZHGTLSPSCNJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013058
CCOC(=O)C1CCc2nn(nc12)C	PC-id_91665630	195.218	NIMJUQGYDNBJPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013059
CCOC(=O)c1nc2c(n1C)CNC2	SCHEMBL17380167,PC-id_118613908	195.218	JAHMLMCZQHCKPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013060
CCOC(=O)C1NCc2c1cnn2C	EMOLS-id_329943796	195.218	XIGGMSLUVUTNQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013061
CCOC(=O)C1NCc2nn(C)cc12	MCULE-7711332982,EMOLS-id_336515025	195.218	CAYUACNZAWFRQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013062
CCOC(=O)c1nn2CCNc2c1C	PC-id_137198907	195.218	XWLJACUTZRKBPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013063
CCOC(=O)c1n[nH]c2c1N(C)CC2	PC-id_13677312,SCHEMBL4950571	195.218	RJWAKTUWMGGTFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013064
CCOC(=O)CC1NCc2n[nH]cc12	EMOLS-id_277373231,MCULE-3122265037	195.218	UZNAPIRJPLZXMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013065
CCOC(=O)Cc1nnc2n1CCC2	PC-id_112724081	195.218	QQUWYSVVGYSTDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013066
CCOC(=O)[C@@H]1CCn2c(C)nnc12	ZINC22_115168602	195.218	XPCNGGZROZCNFF-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013067
CCOC(=O)[C@H]1CCn2c(C)nnc12	ZINC22_115168604	195.218	XPCNGGZROZCNFF-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013068
CCOC(=O)CN1CCc2n1ccn2	SCHEMBL9020147,PC-id_67749987	195.218	MEYGZQRVGNAITI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013069
CCOC(=O)CN1CCn2c1ccn2	PC-id_18955294,SCHEMBL9020139	195.218	AQUFJDSSTIFSLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013070
CC(OC(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-1689979343	195.218	ODEQZLZAINTJSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013071
CCOC(=O)n1nc(c2c1CNC2)C	PC-id_141147997	195.218	QUGRQYCKTPSGHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013072
CCOC(=O)Nc1cnn2c1CCC2	PC-id_122650776,SCHEMBL18183915	195.218	IMHUDTYJWSHGFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013073
CCOC(=O)Nc1nn2c(c1)CCC2	SCHEMBL18183916,PC-id_122650777	195.218	CEXRKBKRHQOVBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013074
CC(=O)N(c1c(C)nc2n1COC2)C	PC-id_59820610,SCHEMBL14024326	195.218	VDCYMBNRAGEKOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013075
CC(=O)N(c1n(C)nc2c1COC2)C	PC-id_59820650,SCHEMBL14024319	195.218	PJHSXSFZPVUZBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013076
CN1CCn2c1nc(c2)CCC(=O)O	PC-id_96622712	195.218	GAOMWJMPDCBLOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013077
Cn1nc2c(c1)C(C(C2)C)(N)C(=O)O	PC-id_112715360	195.218	QBLGIRPYIWVJJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013078
COCCN1Cc2c(C1)c(n[nH]2)C=O	SCHEMBL17224427,PC-id_118484606	195.218	JLTFCCNIVDDJPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013079
COC(C(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-3441330115	195.218	AYVHAFNTUVKERE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013080
COCC(=O)N1Cc2c(C1)c([nH]n2)C	SCHEMBL17232682,PC-id_118491665	195.218	KJCWUUFFZWMCTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013081
COC(=O)c1c2n(CCC2)nc1CN	PC-id_145874836,MCULE-5653946848,EMOLS-id_317866997,ZINC22_1775956768	195.218	ROCKIOIBMCFHSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013082
COC(=O)C1CCc2n1c(CC)nn2	PC-id_119028018	195.218	XWJMTSPXBMUCPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013083
COC(=O)c1n(CC)nc2c1CNC2	PC-id_105448918	195.218	MUQRYMKOYZOBHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013084
COC(=O)c1nn(c2c1CNC2)CC	PC-id_105448921	195.218	VDDHRLFJCCJLIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013085
COC(=O)c1n[nH]c2c1CNC2(C)C	MCULE-6556219695,EMOLS-id_336509401	195.218	YFISIUKCONUCGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013086
COC(=O)CC1N(C)Cc2c[nH]nc12	EMOLS-id_324008870	195.218	UVVYIAVDZOFQIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013087
COC(=O)CCc1nnc2CCCn12	MCULE-9293544461,ZINC22_96509937,PC-id_97617293,EMOLS-id_49181758	195.218	YJBCGANLQKNGAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013088
COC(=O)Cn1nc2c(c1)CN(C2)C	PC-id_117633277,SCHEMBL16152042	195.218	LJSHKTVYENUNGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013089
COC(=O)C(N)c1n[nH]c2CCCc12	EMOLS-id_313899346,MCULE-4047609523	195.218	QAONPQVLKIGALP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013090
COC(=O)N1Cc2c(C1)[nH]nc2CC	SCHEMBL19413468	195.218	CUPNNECFNMAFCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013091
COC(=O)N1Cc2c(C1)n(nc2)CC	SCHEMBL19505292	195.218	NBTRZQNESJIFPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013092
CON(C)C(=O)c1cc2CCCn2n1	PC-id_11356033,ZINC22_141057288,MCULE-2695232683,EMOLS-id_50265676,SCHEMBL4821143	195.218	FWHHOSCDELSADD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013093
CON(C)C(=O)c1cnn2c1CCC2	MCULE-6706718110,ZINC22_228966661,PC-id_91757057,EMOLS-id_50274065	195.218	OAFUDIFZDFSOLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013094
n1c(NCCC(=O)O)cn2CCCc12	MCULE-1596359563,CK1916267,ZINC22_22341819,PC-id_6611212,EMOLS-id_232998624	195.218	JUFKPPPNKGLYSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013095
NC(Cc1n[nH]c2CCCc12)C(=O)O	EMOLS-id_313913939,PC-id_84666052,MCULE-3478137393	195.218	BAGDWFGBWUTKMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013096
NCC(C(=O)O)c1cc2CCCn2n1	PC-id_82657211,EMOLS-id_324139577	195.218	ULPQBABLERAUMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013097
NCC(C(=O)O)c1n[nH]c2CCCc12	EMOLS-id_313913427,PC-id_84666054,MCULE-3632864542	195.218	NCEGNRXZQPLQPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013098
NC(CC(=O)O)c1n[nH]c2CCCc12	MCULE-9493116248,EMOLS-id_313913683,PC-id_84666053	195.218	HEOZLJMEVUHAJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013099
O=C(C(O)(C)C)N1Cc2c(C1)c[nH]n2	EMOLS-id_313763410,MCULE-9658585488	195.218	VXLHYXKCMAVBQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013100
OC(=O)C1c2n(nnc2CC1)C(C)C	PC-id_83879308	195.218	QHGOEXCCBQGADB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013101
O(C(=O)C1CCc2nn(c(N)c12)C)C	PC-id_84023909	195.218	APUBGASVGFZGEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013102
OC(=O)C1CCc2n(nnc12)C(C)C	PC-id_83879311	195.218	UFFTXEYOSVTSTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013103
OC(=O)C1CCn2c1nnc2C(C)C	PC-id_83818565	195.218	KBXMZQXTTAEYHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013104
OC(=O)C1Cn2c(nnc2C(C)C)C1	PC-id_83818564	195.218	NNMWGDPVVOBKCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013105
O(C(=O)c1n2CCC(N)c2cn1)CC	PC-id_55280516	195.218	BCHDCLLDCPGSEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013106
OC(=O)C1n2c(nnc2C(C)C)CC1	PC-id_82400486	195.218	TXBZEIBTBJRDAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013107
OC(=O)C1N(Cc2nc(n(c12)C)C)C	PC-id_82400453	195.218	DIBFKTBFLVRVEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013108
OC(=O)C1NCc2nc(n(c12)C)CC	PC-id_82400454	195.218	GUUVAHPKGODFON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013109
OC(=O)C1(N)Cc2n(c(nc2C1)C)C	PC-id_82400428	195.218	JWPUWPPDNBCTAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013110
OC(=O)C1NCc2[nH]c(nc12)C(C)C	PC-id_82400456	195.218	QSLCYELIELLZQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013111
OC(=O)C1(N)CCc2c1c(C)nn2C	PC-id_112715362	195.218	BYSFAQYBVCCTQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013112
OC(=O)C1(N)CCc2c1c(C)n(n2)C	PC-id_112715363	195.218	ONNSAMLDKLZJKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013113
O(C(=O)C1(N)CCc2nn(cc12)C)C	PC-id_83907783	195.218	GYFBTOGFHLYDOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013114
O(C(=O)C1(N)CCc2n(ncc12)C)C	PC-id_83907784	195.218	UBZDNJPRPBMJMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013115
O(C(=O)C1(N)CCc2n[nH]c(c12)C)C	PC-id_83907781	195.218	XHMYIBXHIDZPKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013116
OC(=O)c1n(nc2c1CN(C2)CC)C	PC-id_83915746	195.218	YQSBXQJRAMGTHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013117
OC(=O)c1nn(c2CN(Cc12)CC)C	PC-id_83915751	195.218	JDQQRGRUIQNNOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013118
OC(=O)c1n[nH]c2CN(Cc12)C(C)C	PC-id_83915748	195.218	QMSUHRMNMBOVIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013119
OC(=O)c1n[nH]c2CN(Cc12)CCC	PC-id_83915749	195.218	CJZYDLCLKNCITF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013120
OC(=O)CC1(CCc2[nH]ncc12)CN	PC-id_83907779	195.218	RIALMRWPCWDLEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013121
OC(=O)C(C1CC(n2c1ncc2)C)N	MCULE-4319025264	195.218	YSJWIEQRPWLGSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013122
OC(=O)C(c1c(C)nc2n1CCC2)N	PC-id_112545728	195.218	QUKOQGRWBGFNHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013123
OC(=O)Cc1nn(c2c1CN(C2)C)C	PC-id_83862234	195.218	DDERZQQGYHIUQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013124
OC(=O)C(Cc1cn2c(n1)CCC2)N	PC-id_112488486	195.218	TWGUAPSYEPHXKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013125
OC(=O)C(Cc1cnc2n1CCC2)N	PC-id_112488487	195.218	MLSYEBMYFREDQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013126
O=C(OCC)c1n(C)nc2CNCc12	MCULE-2244007370	195.218	JNOBZNARQXHPRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013127
OC(=O)CCc1nn2CCN(c2c1)C	PC-id_82657236	195.218	ZSXCGSRGNLPXIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013128
OC(=O)CCCc1n2CCCc2nn1	PC-id_62875506,EMOLS-id_39421472	195.218	FZDJMUPDVOEWFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013129
OC(=O)CCCc1n[nH]c2c1CNC2	PC-id_82400420	195.218	MRGQIUSKXMXJJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013130
OC(=O)CCCc1n[nH]c2c1NCC2	PC-id_82400418	195.218	GVEXVBHWIWKSEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013131
OC(=O)CCn1c2CN(Cc2nc1)C	PC-id_82400389	195.218	RPFFGYRLLZUPIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013132
OC(=O)CC(N)c1nn2c(CCC2)c1	PC-id_82657213	195.218	YTPBSBCFUONJFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013133
OC(=O)C(n1c2N(CCc2nc1)C)C	PC-id_82400480	195.218	SLYXHNCFOSQNST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013134
OC(=O)C(N1Cc2n(ncc2C1)C)C	PC-id_82400481	195.218	WLJCZRCOQQZITO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013135
OC(=O)CN(C1CCn2c1ncc2)C	EMOLS-id_265956721	195.218	JMCMEULPFCNDKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013136
OC(=O)C(N)c1n2c(CCC2)c(n1)C	PC-id_82657232	195.218	BIAIRBJTOZCFNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013137
OC(=O)C(N)c1nc(n2c1CCC2)C	PC-id_82400452	195.218	BMMDXMHQQDSSSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013138
OC(=O)C(N)c1nn(c2c1CCC2)C	PC-id_84666050	195.218	UIVJXEBRNJPAHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013139
OC(=O)C(N)c1n(nc2c1CCC2)C	PC-id_84666055	195.218	HSIFMZVUVNPULA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013140
OC(=O)C(N)Cc1n2CCCc2cn1	PC-id_82657223	195.218	HMCFVYGVKVPAJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013141
OC(=O)C(N)Cc1nn2c(CCC2)c1	PC-id_82657224	195.218	DINHQVGOLDDLFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013142
c12N(C)CCn1nc(C(=O)CNC)n2	MCULE-7117276694	195.222	LBSHYXKGOTVVME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013143
CCOc1nn2c(c1N)N=NC2CC	PC-id_69733285,SCHEMBL6288491	195.222	FZLSOOQBENLQCR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013144
O=C(N1Cc2c([nH]nc2N)C1)N(C)C	PC-id_84666108	195.222	SOKXGDQABLCGFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013145
O=C(N1Cc2c(nn(c2N)C)C1)NC	PC-id_84666107	195.222	UKGCCKGQJQUILY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013146
CN(/N=C(/c1n[nH]c2c1CNC2)N)N	PC-id_144148224	195.225	AERIZINITMNNLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013147
Cc1c2c(c(s1)C)C(=O)N(C2=O)C	PC-id_89628960,SCHEMBL15031169	195.238	QJUQOTNPJKCCLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013148
Cc1cc2c(s1)[C@@H](CC2=O)C(=O)N	PC-id_93511422	195.238	IOSHUYWLTYXANJ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013149
Cc1cc2c(s1)[C@H](CC2=O)C(=O)N	PC-id_93511423	195.238	IOSHUYWLTYXANJ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-013150
CCc1sc(c2c1C(=O)NC2=O)C	PC-id_118485936,SCHEMBL17226004	195.238	YFHKEZPDDFHRPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013151
CCCN1C(=O)c2c(C1=O)csc2	PC-id_68324222,SCHEMBL12601339	195.238	YTIUEKLZHNZALB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013152
CC(N1C(=O)c2c(C1=O)csc2)C	PC-id_15022417,SCHEMBL18517073	195.238	TYUJYBJORWNQFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013153
CC(N1C(=O)c2c(C1=O)scc2)C	SCHEMBL16624015,PC-id_15022428	195.238	GBIBVMAXIOCRRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013154
CCOC(=O)C1=Nc2c(C1)ccs2	PC-id_18405248,SCHEMBL7676110	195.238	FPTPUOPOBFXTNS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013155
COC1=NC(=O)c2c1c(C)sc2C	PC-id_118579474,SCHEMBL17339818	195.238	KJJJWUDEJJTNGB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013156
O(C1C[n+]2n(C1)ccc2)C(=O)CCC	PC-id_21822333	195.238	PWGDEZOQJLTPOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013157
[O-][N+](=O)C=Cc1cc2CCCc2s1	MCULE-4676690688,EMOLS-id_313791437	195.238	PJOKXFMYZOBBDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013158
s1c2C(CC(=O)c2cc1C)C(=O)N	PC-id_45118093	195.238	IOSHUYWLTYXANJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013159
s1c2CC(=Nc2cc1)C(=O)OCC	PC-id_85789570	195.238	OAAXGUYTBNWWDI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013160
s1c2c(C(NC(=O)C)CC2=O)cc1	PC-id_82400331	195.238	BCXOUIZSSJNZRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013161
s1c(c2CN(Cc2c1)C(=O)C)C=O	PC-id_82400334	195.238	GAKMSGUWPOJHKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013162
N#CCCn1nc2c(c1O)CSC2	EMOLS-id_114597072	195.242	UNASGFCIYJIEFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013163
NC(=O)NN=C1CCc2c1scc2	EMOLS-id_303217601	195.242	ZWGJBBYSBRGRCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013164
O=C(N)N/N=C
/c2ccsc2CC1	PC-id_71671704,CNP0474913	195.242	XTOCYUGXZPKHJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013165
S1c2n(nc(n2)C=C(C)C)C(=O)C1	PC-id_82358026	195.242	BJRBACFIEHZXII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013166
S1Cc2[nH]n(c(=O)c2C1)CCC#N	PC-id_83196458	195.242	PBACJBKDQBFWPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013167
CCNC1Nc2c(cnn2S1)C#N	PC-id_137197472	195.245	AVTLJRDLGHYDMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013168
CCN=C1Nc2cncn2[N+]1(CC)N	SCHEMBL5427013,PC-id_136360623	195.245	FOBJWKUYJOODFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013169
CCN[N+]1(CC)C(=Cc2n1cnn2)N	PC-id_69437081,SCHEMBL5427352	195.245	HDLVWXPGNWCBFL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013170
NC(=S)NN=C1CCn2c1ncc2	EMOLS-id_303191235	195.245	FANMKTIUDZKPLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013171
CC1Cc2c(C1(O)CCN)cc(o2)C	PC-id_112715382	195.258	LKCBMSXKTQDKFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013172
NCC1(O)C(C)Cc2c1cc(o2)CC	PC-id_112715376	195.258	HBCVEIUOMLQLDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013173
NCC1(O)C(C)Cc2c1oc(c2)CC	PC-id_112715375	195.258	GBEMQAKMWOBKHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013174
o1c2c(CCC2)c(c1COC)CNC	PC-id_83610050	195.258	XEXCDMODYXMRHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013175
o1c2c(CCC2)c(c1COC)C(N)C	PC-id_83610112	195.258	NRWGODNODYEGNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013176
o1c2c(CCC2)c(C(N)CCO)c1C	PC-id_84773610	195.258	OFAKDGGPKFZKGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013177
o1c2c(CCC2)c(C(O)CCN)c1C	PC-id_84773613	195.258	QKFALKDMKZPADK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013178
o1c2c(CCC2)c(C(O)CNC)c1C	PC-id_84773592	195.258	IYCADRQYCDBKBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013179
o1c2c(CCC2)c(C(O)C(N)C)c1C	PC-id_84773616	195.258	WOXABWOPYCJRJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013180
o1c2C(CCN)(O)C(C)Cc2cc1C	MCULE-7492401756,PC-id_112715379	195.258	NOTGKWBFQQXDKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013181
o1c2c(C(N)(CC2)CO)cc1C(C)C	PC-id_83907838	195.258	RPWYJCRPVGDWKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013182
o1c2c(C(O)(CC2)CCN)cc1CC	PC-id_83907833	195.258	SKYHAMKHOLMHTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013183
o1c2c(C(O)(CC2)CN)cc1C(C)C	PC-id_83907830	195.258	XVIUSYFEQCOKQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013184
o1c2C(N)(CCc2cc1C(C)C)CO	PC-id_83907836	195.258	HZPGMLRZODEXTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013185
o1c2C(O)(CCc2cc1C(C)C)CN	PC-id_83907828	195.258	KGQDKYBOZPWFJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013186
o1c2C(O)(CCc2cc1CC)CCN	PC-id_83907832	195.258	UGJHDQNYAIABJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013187
o1c(c(c2c1COC2)CCN)C(C)C	PC-id_84773590	195.258	SIBGCXBNXMCYMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013188
o1c(C(C)(C)C)c(c2c1COC2)CN	PC-id_84773589	195.258	HJAQVYDBDHWVGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013189
OC1(CCc2oc(cc12)C)C(N)CC	PC-id_82400260	195.258	RODZLKGVEWVFMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013190
O(C1(CCc2occc12)CN)C(C)C	PC-id_84666334	195.258	AMQSBRHCUFETTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013191
Oc1[nH]c(O)c2C(CC(c12)CC)CC	PC-id_53974451	195.258	JTXUHKOHCYCQOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013192
OCC1(N)C(C)Cc2c1cc(o2)CC	PC-id_112715388	195.258	OBDJXJNWHFGULK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013193
OCC1(N)C(C)Cc2c1oc(c2)CC	PC-id_112715387	195.258	XSPXPYQHYUUEKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013194
c1ccc(cc1)/C=C
/CCc2c1[nH]cc2	PC-id_141214817	195.26	GHWWTLCWULJIOE-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-013195
c1ccc(cc1)C=C1CCc2c1[nH]cc2	PC-id_141214823	195.26	GHWWTLCWULJIOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-013196
c12C(C)CCc1n(nc2N)CCCO	EMOLS-id_330967026,MCULE-2583606399	195.261	IKJYJBOUKRWYBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013197
c12C(C)CCc1n(nc2O)CCCN	MCULE-5694016966,EMOLS-id_330959100	195.261	XJMIGPFHOAXTHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013198
c12C(C)CCc1nn(CCCN)c2O	MCULE-2666643409,EMOLS-id_331006383	195.261	XLYONWDNDCJVFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013199
c12C(C)CCc1nn(CCCO)c2N	EMOLS-id_331017124,MCULE-3394047163	195.261	RSTKEAVYMZVGDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013200
c12CC(C)C(CN)(O)c1c(C)nn2C	MCULE-5350942969,PC-id_112715395	195.261	BNTVBFSQTCEZJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013201
c12CC(C)C(N)(CO)c1c(C)nn2C	PC-id_112715415,MCULE-3141561086	195.261	FNWLKTATTRVIOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013202
c1(N(C)CC(C)N)oc2c(CCC2)n1	PC-id_112709749,MCULE-5813675917	195.261	FUGAAPKSUFKFRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013203
CC1Cc2c(C1(O)CCN)cn(n2)C	PC-id_112715405	195.261	DAJRCTSFCXJIDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013204
CC1Cc2c(C1(O)CCN)cnn2C	PC-id_112715406	195.261	BIPZPYVWWCGEDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013205
CC1OCc2c1[nH]c(n2)CC(N)(C)C	EMOLS-id_313776689	195.261	AMTSYYHKCOEZGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013206
CC(C(c1c(C)nc2n1CCC2)O)N	PC-id_112545750	195.261	LAQZIWOCOFGPLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013207
CC(C(c1nc2c([nH]1)C(OC2)C)N)C	EMOLS-id_313731354,PC-id_102970374	195.261	ASDZQCWBXSCSSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013208
CCC(c1nc2c([nH]1)C(OC2)C)(N)C	EMOLS-id_313732122,PC-id_102970405	195.261	BVNJMZDJJFWUFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013209
CC(C)(C)n1c2c(CN(C2)C)[nH]c1=O	PC-id_134350803,SCHEMBL19976568	195.261	KIQQTMOJRLMVRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013210
CC(C)(Cn1cc2CN(Cc2n1)C)O	PC-id_89729914,SCHEMBL15161223	195.261	HYQMUCMCFVMMRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013211
CC(C)Cn1nc2CNCc2c1CO	MCULE-3714205131,EMOLS-id_324348265	195.261	BFTJXIVHWDCBHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013212
CC(C)(C)n1nc2COCc2c1CN	PC-id_105449281,EMOLS-id_324399961,MCULE-1678943077	195.261	MGGLHGKWKHSNCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013213
CC(C)(CON)c1n[nH]c2CCCc12	MCULE-3781566520,EMOLS-id_313884249	195.261	GBYOBFPOZYRJHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013214
CC([C@@H](c1nc2c([nH]1)C(OC2)C)N)C	EMOLS-id_313731866,PC-id_102970394	195.261	ASDZQCWBXSCSSI-XDKWHASVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013215
CC(Cn1[nH]c(=O)c2c1CN(C2)C)C	PC-id_105449266	195.261	NVXNIBIBTGFUFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013216
CC(CNC1CCn2c1ncc2)(O)C	EMOLS-id_107270919	195.261	VXAZMXSAKLEKLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013217
CCCNc1[nH]nc2c1COC2(C)C	EMOLS-id_265068637	195.261	FCUOJCYYURGRLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013218
CC(CN)(CO)c1n[nH]c2CCCc12	EMOLS-id_313883738,MCULE-8286501580	195.261	DELINELLWLMWSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013219
CC(N1CCn2c1c(C)c(=O)[nH]2)(C)C	SCHEMBL19449310	195.261	YWRJCXXAHZTIAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013220
CC(Nc1[nH]nc2c1COC2(C)C)C	EMOLS-id_265069616	195.261	YFAXLIZGWLHQES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013221
CCNCc1nc2c([nH]1)COC2(C)C	EMOLS-id_313764951	195.261	LQGBCLROMABWLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013222
CCN(CC)Cc1nc2CNCc2o1	ZINC22_96086742,EMOLS-id_46183505,PC-id_97406058	195.261	APTNBLJYDCFEHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013223
CC(N)(CO)Cc1n[nH]c2CCCc12	EMOLS-id_313880145,MCULE-1267289511	195.261	ODJCHGFCXXTTEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013224
CC(ONC1CCn2c1ncc2)(C)C	EMOLS-id_107266170	195.261	USGATOYAVITFLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013225
CC(ONC1CC(n2c1ncc2)C)C	EMOLS-id_265995633	195.261	JNMBCODORNSYQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013226
CN1Cc2c(C1)c(=O)n([nH]2)C(C)(C)C	PC-id_105449280	195.261	ALSKWVNZRMMQRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013227
CN1Cc2c(C1)c(=O)n([nH]2)CC(C)C	PC-id_105449282	195.261	DNUUZVPXZDODEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013228
CN1Cc2c(C1)n([nH]c2=O)C(C)(C)C	PC-id_105449264	195.261	STCKLGOZBOCERF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013229
CNc1[nH]nc2c1C(C)(C)OC2(C)C	PC-id_79927082,EMOLS-id_107726620	195.261	BPIIVNUPFPMZNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013230
CNCc1c2COCc2nn1C(C)C	PC-id_112711079	195.261	ILNQGRRMRSXFHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013231
CNC(c1nc2c([nH]1)C(OC2)C)(C)C	PC-id_102970393,EMOLS-id_313731610	195.261	GSPHYHHTMQZGEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013232
CNCc1nn(c2c1COC2)C(C)C	PC-id_112711034	195.261	MOLLEUBRVDSHPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013233
CNCC(c1c(C)nc2n1CCC2)O	PC-id_112545747,EMOLS-id_313732761	195.261	VGJYIUUXMTTYSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013234
CN(CCn1nc2c(c1O)CCC2)C	EMOLS-id_41629584	195.261	KDPBVWSOXLIFEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013235
COCC(c1ccn2c1N(C)CC2)N	PC-id_112488450	195.261	HDPFCKXZBAHRFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013236
COC(C)(CN)c1n[nH]c2CCCc12	MCULE-1803602429,EMOLS-id_313877073	195.261	IMFBLSKKEAXFRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013237
COCCNc1[nH]nc2c1CCC2C	PC-id_65046774,EMOLS-id_40959514	195.261	RUELOHUZUOTHFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013238
COCCNCc1[nH]c2c(n1)CCC2	PC-id_63955096,EMOLS-id_40130651	195.261	LIPCLHSRTNFTPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013239
COCCNCc1n[nH]c2c1CCC2	PC-id_62545123,EMOLS-id_39151667	195.261	MCGPBIASIZHMJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013240
COCN1Cc2c(C1)[nH]nc2C(C)C	PC-id_118489280,SCHEMBL17229756	195.261	LDDHHIBJYVECTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013241
n1c2CCCn2c(C)c1C(O)CCN	MCULE-4820850121	195.261	WQQVKEMUAKMKDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013242
n1(C(C)C)nc(c2COCc12)CCN	MCULE-6311697326,PC-id_112711027	195.261	JBIHLNPRQFCORC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013243
NCc1c2C(O)CCc2nn1C(C)C	PC-id_112711203	195.261	BWNOQIUHWGVXMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013244
NCc1nc2c([nH]1)C(OC2(C)C)(C)C	EMOLS-id_107582268,PC-id_79928673	195.261	LWOYIYBLLJHCRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013245
NCc1n(CC(C)C)nc2c1COC2	PC-id_105449283	195.261	ZTTMRYPEUCHDAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013246
NCc1nn(c2c1COC2)C(C)(C)C	PC-id_105449265	195.261	RVXHURLFAPVVHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013247
NCc1nn(c2c1COC2)CC(C)C	PC-id_105449267	195.261	GWBFMOISDSITPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013248
NCc1nn(c2c1C(O)CC2)C(C)C	PC-id_112711190	195.261	WCZJKDMVJQVLGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013249
NCC1(O)C(C)Cc2c1c(C)n(n2)C	PC-id_112715396	195.261	VLTHOXOJRWIRBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013250
NCCc1n(nc2c1COC2)C(C)C	PC-id_112711072	195.261	UXODYPBEQNJATP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013251
NCCC1(O)CCc2c1c(C)nn2C	PC-id_112715408	195.261	CDXQUTNSVNTAOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013252
NCCC1(O)CCc2c1c(C)n(n2)C	PC-id_112715409	195.261	RWEWCBCOCKZLSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013253
NCCC1(O)C(C)Cc2c1c(C)[nH]n2	PC-id_112715403	195.261	YRFAAULHQVJCLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013254
NCCC(c1c(C)nc2n1CCC2)O	PC-id_112545749,EMOLS-id_313604264	195.261	KFVGFAYRCFDZHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013255
NCCCN(c1oc2c(n1)CCC2)C	PC-id_112709748	195.261	PVYIDJPNMRXOLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013256
NCC(N(c1oc2c(n1)CCC2)C)C	PC-id_112709750	195.261	VIQKYAPBZNIQBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013257
O1c2n(CC1)ccc2C(N(C)C)CN	PC-id_82400103	195.261	AASYLLZYUKLMHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013258
O1c2n(CC1)cc(n2)C(N)CC(C)C	PC-id_82400238	195.261	XCQQITLHXLILBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013259
O1c2n(c(C(N)CC(C)C)cn2)CC1	PC-id_82400239	195.261	OOEWJRRBCJXFFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013260
O1c2n(c(C(N)CCC)c(n2)C)CC1	PC-id_82400240	195.261	WUEUZYIVYZLBQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013261
O1c2n(c(C(N(C)C)CN)cc2)CC1	PC-id_82400215	195.261	KIQDYJFDXUAECU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013262
o1nc2C(N(Cc2c1N)C(C)C)CC	PC-id_83847618	195.261	CSRAOOWLRZEUPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013263
o1nc(N)c2CN(C(c12)CC)C(C)C	PC-id_83847616	195.261	QWCRVJSKGIEFHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013264
OC1(c2c([nH]nc2C(C)C)CC1)CN	PC-id_83907840	195.261	GMDPYJZRAQJFLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013265
OC1C(NC)Cn2nc(c(c12)C)CC	PC-id_82400127	195.261	IQKIJSVLBQARKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013266
O=c1[nH]n(c2c1CN(C2)C(C)(C)C)C	SCHEMBL19449295	195.261	YHSRDUACEMTVHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013267
O=c1[nH]n(c2C(N(Cc12)C)C(C)C)C	PC-id_83847625	195.261	LHBSRBFZTWZJNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013268
O=c1[nH]n(c2CN(C(c12)C)C(C)C)C	PC-id_83847629	195.261	LRPBEKFOONESTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013269
O=c1[nH]n(c2C(N(Cc12)C(C)C)C)C	PC-id_83847630	195.261	NNCARKVMUIYWEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013270
O=c1[nH]n(c2C(NCc12)CC(C)C)C	PC-id_83847631	195.261	RZMZUSCNUJHCFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013271
O=c1[nH][nH]c2C(N(Cc12)C(C)C)CC	PC-id_83847620	195.261	OZXYPWSDVDDPKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013272
O=c1[nH][nH]c2C(N(Cc12)C)CC(C)C	PC-id_83847621	195.261	RGDFXNCIVAMXGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013273
O=c1[nH][nH]c2C(N(Cc12)C)(C(C)C)C	PC-id_83855202	195.261	KCJYALODDYHJSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013274
O(c1n(nc2C(NCc12)C(C)C)C)C	PC-id_83847575	195.261	JTCJNNXNOQLEMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013275
O(c1nn(c2C(NCc12)C(C)C)C)C	PC-id_83847578	195.261	NSKBCCHNLKVFFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013276
O=c1n([nH]c2c1CCC2)CCN(C)C	PC-id_66020892	195.261	AYRBAXCUOOTYMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013277
O=c1n([nH]c2C(NCc12)CC(C)C)C	PC-id_83847633	195.261	ORVKUJCYFMAEHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013278
OCc1c2CNCc2nn1C(C)(C)C	PC-id_105449217	195.261	LRGDFYIXKXAVNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013279
OCC1CCc2n1c(nn2)C(C)(C)C	PC-id_140925373	195.261	IMPPGRXEQXPWKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013280
OC(c1n2c(CCC2)c(n1)C)CNC	PC-id_82657392	195.261	VUDOACDQWTWMLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013281
OCC1(N)c2c([nH]nc2C(C)C)CC1	PC-id_83907845	195.261	IFIMBQAAVLQNKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013282
OCC1(N)C(C)Cc2c1c(C)n(n2)C	PC-id_112715416	195.261	YIXAGTJVBXZGFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013283
OC(c1nc(n2c1CCC2)C)CNC	PC-id_82606344	195.261	JQHXUVVKKAXGFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013284
OC(c1[nH]c2c(c1C)CNC2)CNC	PC-id_82400126	195.261	XOUHWZMDZMVABV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013285
OC(c1nn(c2c1CCC2)C)CCN	PC-id_84666347	195.261	QEJZQAYWEXHJBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013286
OC(c1n(nc2c1CCC2)C)CCN	PC-id_84666355	195.261	RVTVEVLGWJSSQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013287
OC(c1nn(c2c1CCC2)C)C(N)C	PC-id_84666346	195.261	PQIZYGXNKSEWRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013288
OC(c1nn(c2c1CCC2)C)CNC	PC-id_84666349	195.261	VODITQODIWPNQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013289
OC(c1n(nc2c1CCC2)C)C(N)C	PC-id_84666354	195.261	ZDPPMIGRVPKDBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013290
OC(c1n(nc2c1CCC2)C)CNC	PC-id_84666357	195.261	CSXXOTNOVCJPLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013291
OCC(c1nc2c([nH]1)CCC2CC)N	PC-id_102970618	195.261	RXIFPDMEXKFJHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013292
OCCC(c1c(C)nc2n1CCC2)N	PC-id_112545748	195.261	HIMKOQYPUSNLNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013293
OCCC(N)c1nn(c2c1CCC2)C	PC-id_84666348	195.261	YLXJNZCKMWEORU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013294
OCCC(N)c1n(nc2c1CCC2)C	PC-id_84666356	195.261	MHQMLXROHFZCTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013295
OCCCNCc1n[nH]c2c1CCC2	PC-id_104421756,EMOLS-id_314374119	195.261	ZHDATQIHKMNKRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013296
OC[C@H]1[C@H](C(C)C)n2c([C@H]1N)ncc2	PC-id_101358065	195.261	ISOSZTKJDBEXQD-VGMNWLOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013297
O(CCN1Cc2c(C1)c[nH]c2CN)C	PC-id_82372994	195.261	RMIWPICRSBSTPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013298
OCCn1nc2c(c1N)C(CC2)(C)C	PC-id_79863754,EMOLS-id_42572747	195.261	RYNFRBDONYMZNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013299
OCC(NC1CC(n2c1ncc2)C)C	EMOLS-id_107353994	195.261	MJMASZBOMSRTEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013300
OCC(NCc1n[nH]c2c1CCC2)C	PC-id_104394210,EMOLS-id_313532547	195.261	SVMAKWGPLGANKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013301
OCCN(Cc1n[nH]c2c1CCC2)C	PC-id_104412449,EMOLS-id_313695714	195.261	PVHFDQMDYUJLLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013302
CC(C)(C)C(c1c2NCCn2nn1)N	PC-id_136310325	195.265	PTWJDSCHOCXLOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013303
CC(C)CC(c1c2NCCn2nn1)N	PC-id_136927064	195.265	JSCBFPSGBQAUNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013304
CC(C)CC(c1nn2CCNc2n1)N	PC-id_136310324	195.265	OGOAHXAPGUIKHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013305
N1(c2n(nnc2CC(CN)C)CC1)C	PC-id_83879534	195.265	VTPUVCMBHBBYCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013306
N1(c2n(nnc2C(N)C(C)C)CC1)C	PC-id_82400072	195.265	XWALCAVWQDCDFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013307
C1NCC1Oc1cc2CCCc2s1	EMOLS-id_313873735,MCULE-6532752429	195.281	SISPGUSCIIUBDA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-013308
CC1c2c(sc(c2C(=O)N1C)C)C	PC-id_89822306,SCHEMBL15281167	195.281	NQBKWMWVCTWZBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013309
CC1(Cc2c(C1)sc(c2)C(=O)N)C	PC-id_89549722,SCHEMBL14926969	195.281	STUHYVWYXKQCRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013310
CC1Cc2c(sc(c2C1=NO)C)C	PC-id_88527197	195.281	FMUCRHRUVPMDPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013311
CC1CCc2c1c(C)c(s2)C(=O)N	PC-id_140571804	195.281	HPXNJICHMOFRAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013312
CC1CCc2c1c(C(=O)C)c(s2)N	EMOLS-id_41195825,PC-id_65354936	195.281	BGDVENHPODZQKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013313
CC(C)(C)N1Cc2ccsc2C1=O	MCULE-1588991729,EMOLS-id_320373427	195.281	FHDXNHCUSMVVKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013314
CC(C)(C)N1Cc2sccc2C1=O	EMOLS-id_320376754	195.281	UKSKZUDDFWUMMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013315
CCCC(=O)c1scc2c1CNC2	SCHEMBL9243957,PC-id_15284974	195.281	IBWJBHMFHCQOLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013316
CC(CN1Cc2c(C1=O)ccs2)C	SCHEMBL7849721,PC-id_58799809	195.281	WWXIGUXIZSBXFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013317
CC(N)C(=O)c1cc2CCCc2s1	EMOLS-id_313807299,MCULE-3766236277,PC-id_82606396	195.281	KIPCZOCRZKUGPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013318
CCNC(=O)c1cc2c(s1)CCC2	MCULE-4322480338,ZINC22_32668059,CoCoCo_3647340,EMOLS-id_37211767,PC-id_39903793	195.281	QJFSXROWGZLLIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013319
CC(=O)c1sc2c(n1)C(CC2)(C)C	EMOLS-id_42571451,PC-id_79863164	195.281	IYZAHLQGHBXDGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013320
CC(=O)Nc1sc2c(c1C)CCC2	PC-id_58862022,SCHEMBL14502270	195.281	JHMONTBZPITUHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013321
CC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38692617,PC-id_61948070	195.281	NTJJEDWRWLEBES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013322
CN(C)C[C@@H]1Cc2ccsc2C1=O	CoCoCo_5411692,PC-id_92242174,ZINC22_4934685	195.281	CEPKIOMFHWCQDB-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013323
CN(C)C[C@H]1Cc2ccsc2C1=O	ZINC22_1615690,CoCoCo_5411693,PC-id_92151527	195.281	CEPKIOMFHWCQDB-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013324
CNCC(=O)c1cc2CCCc2s1	EMOLS-id_313810882,MCULE-9711628791,PC-id_82606394	195.281	ACKMQCMCKLVNOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013325
CON=C(c1sc2c(c1)CCC2)C	EMOLS-id_114601385	195.281	XBIIGHWHIIGSKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013326
NCCC(=O)c1cc2CCCc2s1	MCULE-4443413120,EMOLS-id_313807043,PC-id_82606395	195.281	GKIKZRCYCHCHFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013327
O=C1CCc2c1sc(n2)C(C)(C)C	SCHEMBL19229699	195.281	LAVGOAHRCRHBEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013328
O=C1NCc2c1sc(c2)C(C)(C)C	PC-id_141327889	195.281	KXSUAFYKTVZGOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013329
OCC1(C=c2c(=C1)ccs2)N(C)C	SCHEMBL9232697,PC-id_18947244	195.281	QKDBMFCSOYPICY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013330
OCC1(C=Cc2c1ccs2)N(C)C	SCHEMBL9234002,PC-id_18947220	195.281	WARNFXKDRIXASY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013331
O=C(c1sc2c(c1)CCC2)N(C)C	PC-id_60653285,ASN-28260818	195.281	CGHRMDAOQPWJNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013332
O/N=C/1C(C)Cc2c1c(C)sc2C	SCHEMBL9864852	195.281	FMUCRHRUVPMDPQ-ZHACJKMWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013333
s1c2c(CCC2)c(c1C(=O)CN)C	PC-id_82606393	195.281	MFFAOIAYJYATDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013334
s1c2c(CCC2)c(c1N)C(=O)CC	PC-id_24104832	195.281	VPXCDBFDZSBSKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013335
s1c2c(CC(CN(C)C)C2=O)cc1	PC-id_417776	195.281	CEPKIOMFHWCQDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013336
s1c2C(CN(c2cc1)C(=O)C)(C)C	PC-id_21300119	195.281	VKCJXPRRRDKPGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013337
s1c2N(CCc2cc1CC)C(=O)C	PC-id_14172048	195.281	ZZGXZFHIVYCMIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013338
s1c(c2CCCc2c1)C(=O)CNC	PC-id_82400005	195.281	UZSPWGFYANNQGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013339
s1cc2C(CN(c2c1)C(=O)C)(C)C	PC-id_21300120	195.281	FBMFWRDTEVYXBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013340
s1c(c2CN(Cc2c1)CC)C(=O)C	PC-id_82372658	195.281	DIMSOYLKRNZXKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013341
S=C(N)c1c2CCCc2oc1CC	PC-id_83610208	195.281	XCEXKPHJXIYMCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013342
CN(C=Nc1sc2c(n1)CCC2)C	EMOLS-id_114601364,PC-id_72601665	195.285	FOKRSGMLMORBAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013343
CNC(=NN)c1sc2c(c1)CCC2	EMOLS-id_38249184,PC-id_61361863	195.285	SLBRNVXMJJMWAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013344
s1c2CCCc2cc1CN=C(N)N	PC-id_62360434	195.285	WWBOXOCOMNWRME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013345
s1c2CCCc2nc1/N=C/N(C)C	PC-id_59940681	195.285	FOKRSGMLMORBAA-UXBLZVDNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013346
CC1Cc2c(C1CCN)cc(s2)C	PC-id_112715442	195.324	YUWASFRKSYTSMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013347
CC1Cc2c(C1CCN)sc(c2)C	PC-id_112715441	195.324	HOPHGAXRNLGTGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013348
CC1Cc2c(C1N)cc(s2)C(C)C	PC-id_112715466	195.324	NBMLFNDFLUIBIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013349
CC1Cc2c(C1N)sc(c2)C(C)C	PC-id_112715464	195.324	OEUYWEKLWLYIHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013350
Cc1cc2c(s1)C(C(C2)(C)C)(C)N	SCHEMBL12261455,PC-id_57788096	195.324	INGSWBCWHVGSPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013351
Cc1cc2c(s1)C(NC2(C)C)(C)C	SCHEMBL14564592,PC-id_58838483	195.324	CYKHUFPZCPVYMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013352
CC1CCc2c1nc(s2)C(C)(C)C	EMOLS-id_107167023	195.324	KEJPXLZKIXTLSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013353
Cc1nc2c(s1)C(CC2(C)C)(C)C	SCHEMBL14370205,PC-id_58734289	195.324	LCYYWTIFVBHKQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013354
Cc1nsc2c1C(C)(C)CC2(C)C	SCHEMBL14370216,PC-id_58734293	195.324	RBKITEWVPXNNTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013355
Cc1sc2c(c1)C(C(C2)(C)C)(C)N	PC-id_24782693,SCHEMBL2388335	195.324	VLHVGGWIRYBEIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013356
Cc1sc2c(n1)C(CC2)(C)C(C)C	PC-id_58125146,SCHEMBL12862720	195.324	DWRUDYOEILQIJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013357
Cc1snc2c1C(C)(C)CC2(C)C	SCHEMBL14370213,PC-id_58734292	195.324	HBHXFYHGEUCUQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013358
CCc1cc2c(s1)C(CC2)C(N)C	PC-id_112715445	195.324	ZSJPGDYBAJOMBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013359
CCc1cc2c(s1)CCC2C(N)C	PC-id_112715447	195.324	KZFUORRKHUBVCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013360
CCC1CCc2c1nc(s2)C(C)C	EMOLS-id_114603177	195.324	INPBXKRVUIOUPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013361
CCc1nc2c(s1)C(CC2C)(C)C	EMOLS-id_114603277	195.324	NXOWLGDTWNOSNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013362
CC(c1nc2c(s1)C(CC2)(C)C)C	PC-id_144988209	195.324	WQRMTFCYOMDEPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013363
CCc1nc2c(s1)CCC2C(C)C	SCHEMBL12862700,PC-id_58125059	195.324	FENDRLXTDXWWNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013364
CC(c1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_114603359	195.324	XZVVTDNDMPSZKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013365
CC(c1sc2c(n1)CC(C2)(C)C)C	PC-id_144988225	195.324	JGOCDAGAEWWHBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013366
CCC(c1sc2c(c1)CCC2)NC	PC-id_114979209,EMOLS-id_266019674	195.324	MICKNQFEMXLDFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013367
CCCc1sc2c(n1)C(CC2)(C)C	EMOLS-id_107169634	195.324	YKBNAFFMSYOHKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013368
CC(Cc1sc2c(n1)CCC2)(C)C	SCHEMBL15293663,PC-id_89831179	195.324	AIUPUNAPFGZCEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013369
CCC(c1sc2c(n1)CCC2)(C)C	SCHEMBL20415492,PC-id_135254927	195.324	VLPMIRZWBXCSCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013370
CC(Cc1sc(c2c1CCC2)N)C	PC-id_98773909	195.324	FGFLOZJZOIPJBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013371
CCCC(c1sc2c(c1)CCC2)N	EMOLS-id_266019619,PC-id_114981945	195.324	NGHXVKNVVOEFDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013372
CCCC(c1sc2c(n1)CCC2)C	SCHEMBL19934568,PC-id_134313915	195.324	APYJRURRGSDGHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013373
CC(CCN)c1cc2CCCc2s1	EMOLS-id_313808835,PC-id_82606456,MCULE-2480116312	195.324	WTDKPGJGVVGLCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013374
CC(C)(CN)c1cc2CCCc2s1	EMOLS-id_313847998,MCULE-2735075106	195.324	KTYVWNNBZLBFOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013375
CC(C)(C)NC1CCc2c1ccs2	SCHEMBL14449751,PC-id_89339735	195.324	ALFIRFXRETYKHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013376
CC(C)(C)NC1CCc2c1scc2	PC-id_89339734,EMOLS-id_96808110,SCHEMBL14449748	195.324	LAWJLURRURVSDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013377
CCCN1Cc2c(C1)c(sc2C)C	PC-id_122375110	195.324	DRPGFQLLQKMVLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013378
CCC(NC1CCc2c1scc2)C	EMOLS-id_266019711	195.324	ZWHMMXIHVFRMAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013379
CC(CNC1CCc2c1scc2)C	EMOLS-id_266020065	195.324	QNTWESALRUVLTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013380
CC(C)(N)Cc1cc2CCCc2s1	EMOLS-id_313809091,MCULE-4975320008,PC-id_96757097	195.324	REAFGTJEFDANRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013381
CC(C)NCc1cc2CCCc2s1	ZINC22_34977700,PC-id_43163782,MCULE-8500220250,EMOLS-id_300461154	195.324	JKFCRVIOFJIOFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013382
CCCNCc1csc2c1CCC2	PC-id_114748909	195.324	ZEZNCUBKXLQKLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013383
CCCNCc1sc2c(c1)CCC2	PC-id_43163746,EMOLS-id_37550154	195.324	OHBFGAJZIDFGFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013384
C[C@H](N)CCc1cc2CCCc2s1	EMOLS-id_313835957,MCULE-7414079309	195.324	LOQGEUZUWWMEHL-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013385
C[C@@H](N)CCc1cc2CCCc2s1	MCULE-6780741709,EMOLS-id_313836469	195.324	LOQGEUZUWWMEHL-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013386
CC(N1Cc2c(C1)c(sc2C)C)C	PC-id_122375112	195.324	AFWAIDOPFHZWQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013387
CCNCC1CCc2c1c(C)cs2	SCHEMBL12644338,PC-id_68334880	195.324	CFLWZKVIHMKFOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013388
CC(NCc1csc2c1CCC2)C	PC-id_114748982,EMOLS-id_266020052	195.324	SDUMRVIUHOHMDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013389
CCNCc1csc2c1C(C)CC2	PC-id_114748804,EMOLS-id_107802167	195.324	UGYRYFUXIDCJII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013390
CCNC(c1sc2c(c1)CCC2)C	EMOLS-id_266019573,PC-id_115707352	195.324	IPPNLROKDCXHGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013391
CC(N)CCc1cc2CCCc2s1	EMOLS-id_313836213,MCULE-1427251143	195.324	LOQGEUZUWWMEHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013392
CN1Cc2c(C1)cc(s2)C(C)(C)C	SCHEMBL19398838	195.324	ZRDMYDLQAJVBIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013393
CN1Cc2c(C1)c(cs2)C(C)(C)C	SCHEMBL19398848	195.324	BQQWTCZSXPLRHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013394
CNC1C(C)Cc2c1cc(s2)CC	PC-id_112715460	195.324	QIPFXFYBLBVSCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013395
CNC1C(C)Cc2c1sc(c2)CC	PC-id_112715458	195.324	JBSAQRXMJKEMKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013396
CNCC1CCc2c1c(CC)cs2	PC-id_68335173,SCHEMBL12644766	195.324	XROMSPMKHAPJGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013397
CNCC1CCc2c1c(C)c(s2)C	SCHEMBL12644774,PC-id_68335180	195.324	CFYVIQHDNFDNEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013398
CNCC1C(C)Cc2c1cc(s2)C	PC-id_112715450	195.324	IFUIKBLIXFIXTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013399
CNCc1csc2c1C(C)(C)CC2	PC-id_114748711,EMOLS-id_96637495	195.324	VNMAXQRHBUHAAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013400
CNCc1csc2c1C(CC)CC2	PC-id_114748727,EMOLS-id_107210553	195.324	UJXDGIRWBPIXEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013401
CNC(C)(C)c1cc2CCCc2s1	MCULE-5713385690,EMOLS-id_313874760	195.324	GCENNTKNJWKURW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013402
NCC1C(C)Cc2c1cc(s2)CC	PC-id_112715455	195.324	VXECGOUEGOHFNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013403
NCC1C(C)Cc2c1sc(c2)CC	PC-id_112715453	195.324	BEWKMTXRRAJRLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013404
NCc1csc2c1C(C)CC2(C)C	EMOLS-id_96721577,PC-id_106664687	195.324	SLDBHRXCFCADKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013405
NC(c1sc2c(c1)CCC2)C(C)C	EMOLS-id_96676724,PC-id_114978326	195.324	URSFYVWAYLCALT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013406
NCC(C1CCc2c1cc(s2)C)C	PC-id_112715435	195.324	FUPXDXYYAODODG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013407
NCC(C1C(C)Cc2c1ccs2)C	PC-id_112715438	195.324	RJJOKRODLIYCAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013408
NCC(C1C(C)Cc2c1csc2)C	PC-id_112715437	195.324	ZWWOTDBQGYLMAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013409
NCCCCc1cc2CCCc2s1	MCULE-8353481660,EMOLS-id_313794506	195.324	VALRHRFLJLFLMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013410
s1c2C(CCc2cc1CC)CCN	PC-id_83907865	195.324	HQSUWBHSEPSFSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013411
s1c2C(CCc2cc1C(C)C)CN	PC-id_83907875	195.324	IIPQUZDFEKHOCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013412
s1c2c(CCC2)c(c1CCCN)C	PC-id_82606455	195.324	NQIPBRXVJYFPLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013413
s1c2C(CCc2cc1CC)CNC	PC-id_83907869	195.324	ZSGBONRPEITJRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013414
s1c2c(CCC2)c(c1CCNC)C	PC-id_82606454	195.324	HKICKYUSZQDAII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013415
s1c2c(C(CC2)CCN)cc1CC	PC-id_83907867	195.324	YTZILQZGMGRXJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013416
s1c2c(C(CC2)CN)cc1C(C)C	PC-id_83907873	195.324	DUCPPMFINSAVNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013417
s1c2c(C(CC2)CNC)cc1CC	PC-id_83907871	195.324	YANYILVMXNFGBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013418
s1c2C(C(CN)C)CCc2cc1C	MCULE-4276812388,PC-id_112715434	195.324	ZQKZRXVRGMNUHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013419
s1c2C(C(CN)C)C(C)Cc2cc1	PC-id_112715436,MCULE-1947829629	195.324	DEIOESRJFRNHJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013420
s1c2c(C(N)CC2)c(CC(C)C)c1	PC-id_82378119	195.324	QRWHFYXAMMEQSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013421
s1c2c(C(N)CC2)c(C(C)(C)C)c1	PC-id_82378121	195.324	SACAKHCZWCSAED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013422
s1c2c(C(NC)CC2)cc1C(C)C	PC-id_83907879	195.324	HNMGCDFSCSYZMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013423
s1c2C(CNC)C(C)Cc2cc1C	PC-id_112715449,MCULE-1691282561	195.324	LULROLWHEDKMFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013424
s1c2C(NC)CCc2cc1C(C)C	PC-id_83907877	195.324	YESRZYPWKUACDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013425
Clc1n(nc2c1CCC2)CCC#N	EMOLS-id_41630460,PC-id_66023020	195.649	FOLPTHGINBSOCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013426
c1c2c(cs1)S(=NS2)Cl	PC-id_135081397	195.713	OVEQUEYGIRAWOU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013427
C1C2=CSC(=C2CN1C(=O)[O-])C=O	PC-id_154493513	196.007	LHISLBJKYLDGAT-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-013428
CC(=O)NN1C(=O)CC2=C1C=CS2	PC-id_153942593	196.031	HMTCOMIWIMGBMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013429
COC(=O)C1=CC2=C(S1)C(=NC2)N	PC-id_161388249	196.031	IFTDESJUPIXURP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013430
CSC1=CN2CCC(C2=C1)C(=O)[O-]	PC-id_153808282	196.044	XBLPFQYHNQSFHT-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-013431
CCC1=C2C(=C(S1)CC)N[AlH]N2	PC-id_164026195	196.061	VDVWZXSDFGHHBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013432
o1nc(c2c1C(=O)N(C2=O)C)C(=O)O	PC-id_83484744	196.117	WZAMZOUIPXBDFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013433
o1nc(c2c1C(=O)NC2=O)CC(=O)O	PC-id_83670659	196.117	AFFRVQFGRUXFFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013434
o1ncc2c1C(=O)N(C2=O)CC(=O)O	PC-id_84666637	196.117	PQEAIRJVIPEHDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013435
O=C1OC(=O)c2c1c(cn2C)[N+](=O)[O-]	SPECS-id_AT-325/LC00704	196.117	IMSMWMBDGOUNMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013436
CCCNC1=C(C(=O)N2N1CCC2)N	PC-id_150366657	196.132	GWVXPYZRBANSEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013437
C1Cc2c(C1)oc(c2C(=O)O)C(=O)O	SCHEMBL15288258,PC-id_89826806	196.157	IITIQIYZZVXCSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013438
o1c(c2CCCc2c1C(=O)O)C(=O)O	PC-id_66817027,SCHEMBL849074	196.157	AASYULXHCSGPEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013439
c1(C(=O)O)n2CCCc2nc1C(=O)O	PC-id_82399865,EMOLS-id_294199944,MCULE-6263469426,ZINC22_82386097	196.16	DEQCEHQJPHEBJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013440
c1(C(=O)O)nn2c(CCC2)c1C(=O)O	ZINC22_98212402,EMOLS-id_50152120,MCULE-2392911987,PC-id_75527970,SPECS-id_AT-687/NB05018,SPECS-id_AT-687/PE33559	196.16	MNTIHILOJVHHDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013441
O=C1c2n(CC1)cc([N+](=O)[O-])c2CO	PC-id_85825164	196.16	HYVQJGXBJOASBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013442
O=c1cc(n2n1C(=O)C(C2=O)(C)C)O	CoCoCo_5672311,CoCoCo_5672310	196.16	VIOUEWWUUYTXAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013443
CNc1c2C(=O)NC(=O)n2c(=O)n1C	PC-id_101268421	196.163	UGQFCVOMAFOTGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013444
OCCC1N=Nc2n1nc(c2)C(=O)O	PC-id_145811794	196.163	ALGBQIGPFHSIOM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013445
OC(=O)C(=C1CC(n2c1ncc2)C)F	EMOLS-id_304216880	196.178	AFRMMBAIGLENTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013446
c1(C(=O)O)c2CCCc2oc1COC	PC-id_83610046,MCULE-6676833779	196.2	ZKDDVBLALJQBAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013447
CC1Cc2c(C1(O)CC(=O)O)cco2	PC-id_112715471	196.2	UYIFXUWSXJVCGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013448
Cc1cc2c(o1)C(C(C2)C)(O)C(=O)O	PC-id_112715473	196.2	ZYFOCVDRQZSRIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013449
o1c2CC(C)C(O)(C(=O)O)c2cc1C	PC-id_112715476,MCULE-3609938084	196.2	OEZCRVPBALSJDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013450
o1c2c(C(O)(CC2)CC(=O)O)cc1C	PC-id_83907948	196.2	LJOTYFKHKOJWFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013451
o1c2c(C(O)(CC2)C(=O)O)cc1CC	PC-id_83907951	196.2	BLYJLOPDOQCECF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013452
o1c2C(O)(CCc2cc1C)CC(=O)O	PC-id_83907946	196.2	OUGGASOLYUMMJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013453
o1c2C(O)(CCc2cc1CC)C(=O)O	PC-id_83907950	196.2	XHURNGFBTWRMGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013454
o1c(c2CCCc2c1C(=O)O)COC	PC-id_82376323	196.2	ZVHKECXOWNECGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013455
o1cc2CC(C)C(O)(CC(=O)O)c2c1	PC-id_112715470,MCULE-6010436424	196.2	MCBIXAHNAMBUMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013456
o1c(C(C)C)c(c2c1COC2)C(=O)O	PC-id_84773876	196.2	PEJFGMIUFNGXDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013457
O(C1C(c2c(occ2)C1)CC(=O)O)C	PC-id_82399837	196.2	SKPHNOMZMMEUPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013458
O(C1(CCc2occc12)C(=O)O)CC	PC-id_84666717	196.2	NCJBITKOVUTRTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013459
OC(=O)CC1(O)C(C)Cc2c1occ2	PC-id_112715469	196.2	RFDCYZKQYUJFGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013460
c12CCN(CCC)c1onc2C(=O)O	PC-id_96622252,MCULE-8168215840	196.203	FPZHJMHNGYRPHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013461
c1(C(=O)O)c2COCc2nn1C(C)C	PC-id_112711065,MCULE-8165585555,EMOLS-id_324401493	196.203	UVGKUCNUHRXWMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013462
c1(C(=O)OC)c2CCCn2nc1CO	SPECS-id_AT-687/NB05060,ZINC22_96511752,SPECS-id_AT-687/PE33595,EMOLS-id_49186309,MCULE-2921513216,PC-id_75176164	196.203	JGVRQGWJGTZDET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013463
c1(C(=O)OC)c2COCc2nn1CC	MCULE-8128368331,PC-id_118357664,SCHEMBL17066896,EMOLS-id_324399446	196.203	SRXZGYSPNZJVKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013464
c1(C(=O)O)c(CCC)nn2CCOc12	EMOLS-id_54824114,MCULE-9153637358,ZINC22_225809461,PC-id_119053820	196.203	LUZWORRVBSUXOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013465
c1(C(=O)O)c(C(C)C)nn2CCOc12	ZINC22_225809441,MCULE-5498765394,PC-id_119053819,EMOLS-id_54824112	196.203	LQNFAJAHDYWRNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013466
c1(C(=O)OCC)nn2c(OCC2)c1C	EMOLS-id_97673026,PC-id_121540375,ZINC22_257173091,MCULE-4239844689	196.203	CHHVAQDAEHLYSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013467
C1(O)(CC(=O)O)c2c[nH]nc2CC1C	PC-id_112715477,MCULE-5419825889	196.203	ROJGGFAQFRHKOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013468
CC1Cc2c(C1(N)C(=O)OC)cno2	PC-id_112715483	196.203	JWXPTVJURQKYDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013469
CC1Cc2c(C1(N)C(=O)O)c(no2)C	PC-id_112715486	196.203	YXYURGNDNUARLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013470
o1c2c(C(N(O)C(=O)N)CC2)cc1C	PC-id_82399763	196.203	KKTSZYMBZSMODV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013495
CC1Cc2c(C1(O)C(=O)O)c([nH]n2)C	PC-id_112715479	196.203	KKHSYVIRMUURDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013471
CC1Cc2c(C1(O)C(=O)O)cnn2C	PC-id_112715482	196.203	UBTJFIXYUJEGTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013472
CC1CCc2c1c(O)nn2CC(=O)O	MCULE-6763357654,EMOLS-id_330959099	196.203	BTXOUEGYKVQMMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013473
CC1CCc2nn(CC(=O)O)c(O)c12	MCULE-6420345506,EMOLS-id_331006638	196.203	KWDAJACYZXVGHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013474
Cc1c(CCC(=O)O)nc2n1CCO2	PC-id_96757344	196.203	LQCSJUWJOZMUPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013475
CC(c1c(nn2c1OCC2)C(=O)O)C	PC-id_105449716	196.203	MOWCOSTVRCIWAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013476
CCCc1c(nn2c1OCC2)C(=O)O	PC-id_105449717	196.203	KKMJOMZMUCFBLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013477
CCCC1OCc2c1n[nH]c2C(=O)O	CHEMBL393086,PC-id_44441322,BindingDB_PC-id_44441322	196.203	MZHGWYSOSZWFRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013478
CC(C)n1c2c(COC2)c(n1)C(=O)O	SCHEMBL15723803,PC-id_90162209	196.203	WRYPOQASMOTTLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013479
CC(C(=O)O)Nc1oc2c(n1)CCC2	PC-id_112709788	196.203	MIRZLPDWZDJIDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013480
CC(N1CCc2c1onc2C(=O)O)C	PC-id_96622253	196.203	PXZNQNFBONFPJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013481
CCOC1CCc2c1n[nH]c2C(=O)O	CHEMBL393082,PC-id_44441317	196.203	VBIZLQSORBMQIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013482
CCOC(=O)c1cc2C[C@H](O)Cn2n1	MCULE-3921828087,EMOLS-id_317724017,PC-id_154776267	196.203	JRKYFTLOSRIXDN-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013483
CCOC(=O)C1Cc2c(onc2N1)C	PC-id_137199607	196.203	JUJQJRUPCPRPQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013484
CCOC(=O)c1c(n2CCCc2n1)O	PC-id_137212009	196.203	RXMPCFJCFDITPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013485
Cn1nc2c(c1)C(C(C2)C)(O)C(=O)O	PC-id_112715481	196.203	ZONGGYVRPGGJPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013486
COc1c(C)n2c(c1[N+](=O)[O-])CCC2	PC-id_102326194	196.203	NEUWPQKXJGLVSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013487
COCc1nn2CCCc2c1C(=O)O	EMOLS-id_337770279	196.203	UQLKSVZJSGHJBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013488
COC(=O)c1cnn2c1OC(C2)(C)C	EMOLS-id_324014212	196.203	HYSUIOQEBPZBEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013489
COC(=O)C(c1cnc2n1CCC2)O	EMOLS-id_266033975	196.203	SZRRASFEQMYZJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013490
COC(=O)C(O)c1n[nH]c2CCCc12	MCULE-1045906545,EMOLS-id_313877841	196.203	DMYBESMGPPMWKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013491
NCC(c1ccn2c1OCC2)C(=O)O	PC-id_112488394	196.203	BXVSAQSEZDIUHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013492
NCC(c1cn2c(c1)OCC2)C(=O)O	PC-id_112488395	196.203	LFBBZQIGKFYIKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013493
NC(C(=O)O)Cc1ccc2n1CCO2	PC-id_112488392	196.203	MHVKICAHKYNBGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013494
o1c2C(N(Cc2nc1CC)C)C(=O)O	PC-id_82399758	196.203	HXHIMUJFHSNYQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013496
o1c2C(NCc2nc1C(C)C)C(=O)O	PC-id_82399759	196.203	QOVHUGHGEKEHPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013497
O1c2c([nH]nc2CCCC(=O)O)CC1	PC-id_82399730	196.203	SZIMHEACEBQETP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013498
O1c2n(CC1)cc(n2)C(C)(C)C(=O)O	PC-id_82399818	196.203	VRFZVOYVRUHOJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013499
O1c2n(c(C(C)(C)C(=O)O)cn2)CC1	PC-id_82399709	196.203	NOMPXSOVOOHNGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013500
O1c2n(c(CCC(=O)O)c(n2)C)CC1	PC-id_82399781	196.203	GULUJWCJRXNAMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013501
O1c2n(CC(C)C(=O)O)cnc2CC1	PC-id_82399708	196.203	NVHJFYPBSWIDLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013502
O1c2n(C(C)(C)C(=O)O)cnc2CC1	PC-id_82399792	196.203	JXHISIIUYIJIPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013503
O1c2n(CCCC(=O)O)cnc2CC1	PC-id_82399793	196.203	PCMBZJQSXOERQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013504
O1c2n(c(c(n2)CC(=O)O)CC)CC1	PC-id_82399817	196.203	NTYAWHKQIXVPQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013505
O1c2n(nc(C(C)C)c2)C(C1)C(=O)O	PC-id_84733355	196.203	WYLJXFBJIRKQGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013506
O1[C@@](Cn2c1nc(c2)C(=O)C)(CO)C	PC-id_25417092	196.203	BNTSVCATTLGNDM-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-013507
O1[C@](Cn2c1nc(c2)C(=O)C)(CO)C	PC-id_25417093	196.203	BNTSVCATTLGNDM-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013508
O1C(Cn2c1nc(c2)C(=O)C)(CO)C	PC-id_74447047	196.203	BNTSVCATTLGNDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013509
O1C(n2c(C1)c(O)n(c2=O)CC=C)C	PC-id_53821705	196.203	FWFUUMIRWZFJBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013510
o1ncc2C(CCc12)(CC(=O)O)CN	PC-id_83907953	196.203	VPMIUSWDHLOBIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013511
o1nc(c2CN(Cc12)C(C)C)C(=O)O	PC-id_83915781	196.203	DYSLRUBGZCSUGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013512
o1nc(c2CN(Cc12)CCC)C(=O)O	PC-id_83915782	196.203	OJFFKMIAUJDIGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013513
o1nc(c2C(N)(CCc12)C(=O)OC)C	PC-id_83907967	196.203	MFWBFIZSDJVZJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013514
OC1c2c(n(nc2CC(=O)O)C)CC1	PC-id_83863531	196.203	IDGMGLJQVFLFAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013515
OC1(CCc2nn(cc12)C)CC(=O)O	PC-id_83907957	196.203	YAPZKSDPQQDDCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013516
OC1(CCc2n(ncc12)C)CC(=O)O	PC-id_83907958	196.203	GKPSHIZCCZSNAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013517
OC1(CCc2n(nc(c12)C)C)C(=O)O	PC-id_83907961	196.203	ONMBSYDSBDDDLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013518
OC1(CCc2nn(c(c12)C)C)C(=O)O	PC-id_83907962	196.203	PPLJTVWILVCKNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013519
OC1(CCc2n[nH]c(c12)C)CC(=O)O	PC-id_83907955	196.203	GEJKTMMCSGVTJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013520
OC1C(N)Cc2[nH]c(c(c12)C)C(=O)O	PC-id_82399720	196.203	CBWCUJVMJMUUDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013521
O=c1n(c2CCCc2[nH]1)CCC(=O)O	PC-id_82399731	196.203	KTGWTMVDIHXQOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013522
O(c1n(nc2C(CCc12)C(=O)O)C)C	PC-id_82606563	196.203	CWACWVCYPUPLDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013523
O(c1nn(c2C(CCc12)C(=O)O)C)C	PC-id_82606566	196.203	UMBZHSZTYBAYHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013524
O=c1n([nH]c2c1C(CC2)CC(=O)O)C	PC-id_82399803	196.203	JBYWNHYGAKZHOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013525
O=c1n([nH]c2C(CCc12)CC(=O)O)C	PC-id_82399802	196.203	YYLHENVGRSZJPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013526
O=c1n([nH]c2CC(Cc12)CC(=O)O)C	PC-id_82399804	196.203	ZWSFEOYTCNNQMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013527
OC(c1nc2n(CCC2)c1C)C(=O)O	PC-id_82399810	196.203	MDHZPNZLRLWJOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013528
OC(c1nc(n2c1CCC2)C)C(=O)O	PC-id_82399811	196.203	ODQSODCMENWSFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013529
OC(c1nn2c(CCC2)c1)CC(=O)O	PC-id_82657537	196.203	SAASSAIOKHZZSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013530
O=Cc1nn(c2c1OCO2)CC(C)C	PC-id_96622237	196.203	OUATVFVSXMNXTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013531
OC(Cc1cnc2CCCn12)C(=O)O	EMOLS-id_266032291,MCULE-4007145863	196.203	BGXLMGVKXKDYQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013532
OC(Cc1n[nH]c2CCCc12)C(=O)O	MCULE-8637473175,EMOLS-id_313889874	196.203	ZNFYNESSQJMLML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013533
OC(CC(=O)O)c1n[nH]c2CCCc12	EMOLS-id_313882458,MCULE-4471733153	196.203	MCHPHJOMUBUDIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013534
O[C@H](CC(=O)O)c1n[nH]c2CCCc12	EMOLS-id_313882202,MCULE-6100979486	196.203	MCHPHJOMUBUDIF-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013535
O[C@@H](CC(=O)O)c1n[nH]c2CCCc12	EMOLS-id_313882714,MCULE-9338736885	196.203	MCHPHJOMUBUDIF-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013536
OC(=O)c1c(C)nn2c1OC(C2)(C)C	EMOLS-id_324014980	196.203	PCNQYVNVLDSIJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013537
OC(=O)C(c1c(C)nc2n1CCO2)C	PC-id_112488375	196.203	FQTBGNPSQANKGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013538
OC(=O)C(c1nc2n(c1C)CCO2)C	PC-id_112488403	196.203	WFEGPJRDWZOUJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013539
OC(=O)Cc1n(C)nc2c1C(O)CC2	PC-id_112711206	196.203	DRBUCRDLGFZRJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013540
OC(=O)C(Cc1ccn2c1OCC2)N	PC-id_112488391	196.203	DXCCBJJXQHVQDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013541
OC(=O)CCn1[nH]c2c(c1=O)CCC2	PC-id_105449727	196.203	CCPIAENSWWLVFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013542
OC(=O)CCNc1oc2c(n1)CCC2	PC-id_112709789	196.203	DCZHAJPWGNTJHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013543
OC(=O)CN(c1oc2c(n1)CCC2)C	PC-id_112709787	196.203	WTAPHNKCJFZPKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013544
c12CN(Cc1nn(C)c2N)C(=O)OC	MCULE-9245266634,EMOLS-id_324341604,PC-id_83847677	196.206	SABHRHDMUAEMJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013545
C1Cn2cc(nc2N1)CC(C(=O)O)N	PC-id_136927055	196.206	VUKSTROWKFRYMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013546
C1Cn2cc(nc2N1)C(CN)C(=O)O	PC-id_136927056	196.206	ZLZSCPGGIMSHIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013547
CC1NNc2c(c(nn12)C)C(=O)OC	PC-id_136648046	196.206	UGYCBAHLPPAOBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013548
CC(C)C1NNc2cc(nn12)C(=O)O	PC-id_136655438	196.206	WXVJIYKAOUSRKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013549
CCn1c(nc2c1CN(C2)O)C(=O)N	SCHEMBL17380118,PC-id_118613862	196.206	NEYSCFXZRLCVJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013550
CC(OC(=O)c1c2CNCc2n[nH]1)N	PC-id_69704617,SCHEMBL6208737	196.206	PWFCCKXKPSQBOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013551
CCOC(=O)C1CCc2nn(nc12)N	PC-id_91665631	196.206	AFIJRKFKNGRKKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013552
CCOC(=O)C1CC(c2nnnn12)C	PC-id_134988173	196.206	FTMFYJSUSKDBSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013553
CCOC(=O)C1NCc2c1[nH]nc2N	PC-id_69704618,SCHEMBL6208740	196.206	UUMBNOGUYBICOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013554
CCOC(=O)C1NNc2cc(nn12)C	PC-id_135976821	196.206	VKVACIVSCDJBKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013555
CCOC(=O)n1nc(c2c1CNC2)N	SCHEMBL5449551,PC-id_69446197	196.206	YFXRFELDSSJPQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013556
CN1CCn2c1nn(c2=O)CC1CO1	SCHEMBL3522575,PC-id_57927584	196.206	OVFZINSAMNXPBW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-013557
CNC(=O)c1nc2c(n1C)CN(C2)O	PC-id_118613866,SCHEMBL17380122	196.206	GZCRRFQZLUMVSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013558
CN(C(=O)c1nn2CCCc2n1)OC	PC-id_137412422,SCHEMBL20645822	196.206	SQTCBWDXJLCANG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013559
COC(=O)C1Cc2nnc(CN)n2C1	EMOLS-id_317664667,PC-id_138991005,MCULE-2355347619	196.206	UFYARNCWVDRLJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013560
COC(=O)[C@@H]1Cc2nnc(CN)n2C1	ZINC22_1772795134	196.206	UFYARNCWVDRLJD-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013561
COC(=O)[C@H]1Cc2nnc(CN)n2C1	ZINC22_1772795135	196.206	UFYARNCWVDRLJD-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013562
COC(=O)n1nc(c2c1CN(C2)C)N	SCHEMBL13686377,PC-id_57832651	196.206	XAWLNWJTDAYCOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013563
NC(C(=O)O)Cc1ncc2n1CCN2	PC-id_112488369	196.206	RLEJXCMWPJGHPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013564
OC1CN(C1)Cc1n2CCOc2nn1	PC-id_82399673	196.206	RFBDKDRUASGOHE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-013565
O=C1N(CC(N)(C)C)Cc2nonc12	PC-id_82399700	196.206	GGHLRXXYFRZOPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013566
O=C1N(C(CN)(C)C)Cc2nonc12	PC-id_82399701	196.206	BJKUBIKCNVOYSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013567
OC(=O)C(c1nc(c2n1CCN2)C)N	PC-id_112488362	196.206	DKGHDYYCPDZLAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013568
OC(=O)C(c1nnn2c1N(CC2)C)C	PC-id_83879819	196.206	LODXTNAXFQGAKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013569
OC(=O)C(Cc1nn2c(n1)CCC2)N	PC-id_112488371	196.206	UECFXOAHPNKINW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013570
OC(=O)CCc1nn2c(n1)N(CC2)C	PC-id_96757524	196.206	SHQWTVHBBYYMQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013571
OC(=O)C(N)c1nn2CCN(c2c1)C	PC-id_82657605	196.206	IWBCYNJVYSLNFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013572
OC(=O)C(N)Cc1n2CCCc2nn1	PC-id_82657603	196.206	SNTKJSFUEGIYPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013573
OC(=O)N1Cc2c(C1(C)C)[nH]nc2N	SCHEMBL597015,PC-id_66738815	196.206	STWXELVZGPZFLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013574
O(C(=O)N1C(c2c([nH]nc2N)C1)C)C	PC-id_83847673	196.206	BLPUKKHXOGQHIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013575
O(C(=O)N1C(c2[nH]nc(N)c2C1)C)C	PC-id_83847674	196.206	YXVOOIQIPWAGAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013576
O(C(=O)N1Cc2n(nc(N)c2C1)C)C	PC-id_83847672	196.206	UAXOVTWIROYSIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013577
O/N=C(N)/Cc1nnn2c1N(CC2)C	PC-id_83879820	196.21	QNNXLVQDKQYSGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013578
CC1CCc2c1c(C=O)nn2CCF	MCULE-3629169062,EMOLS-id_331004924	196.221	GMPZGUPWSVCTHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013579
CC1CCc2nn(CCF)c(C=O)c12	EMOLS-id_330985917,MCULE-4011748065	196.221	ZXOILHHMRJMPOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013580
CCn1nc(c2c1CCC2F)C(=O)C	PC-id_105449892	196.221	PUZKCHRWCCBGCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013581
CC(=O)c1nn(c2c1C(C)(F)CC2)C	PC-id_105449894	196.221	ZUJIUSRXKHQPHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013582
O=Cc1nn(c2c1C(C)(F)CC2)CC	PC-id_105449891	196.221	RZIWDHDZFZHLQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013583
O=Cc1nn(c2c1C(F)CC2)C(C)C	PC-id_105449893	196.221	RZMRWFDQEQVMBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013584
Cc1cc2c(s1)C(CC2=O)C(=O)O	PC-id_13588806,SCHEMBL10741469	196.223	SSLAOCXGKPBGQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013585
COC(=O)c1cc2C(=O)CCc2s1	EMOLS-id_337171416	196.223	JYTUGUHSCSIZLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013586
COC(=O)C1CC(=O)c2ccsc12	EMOLS-id_337926863,PC-id_11542940	196.223	WLOOMTHKMYQTRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013587
OC(=O)C(=O)c1cc2CCCc2s1	EMOLS-id_313851071,MCULE-7411357261	196.223	IJCRBPIOPUFJAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013588
s1c2c(CCC2)c(c1C=O)C(=O)O	PC-id_84019754	196.223	SVVANDMULCIRMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013589
s1c2c(C(CC2=O)CC(=O)O)cc1	PC-id_21770065	196.223	RUMXTAIJZDWLKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013590
s1c2CC(C(=O)c2cc1)CC(=O)O	PC-id_10584041	196.223	NUIWQHDWSBPHBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013591
s1c2C(CC(=O)c2cc1)CC(=O)O	PC-id_21770064	196.223	OSVJNVSKSKAORQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013592
s1c2CCC(=O)c2cc1CC(=O)O	PC-id_82606593	196.223	MZVVGTIXZJHISA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013593
s1c2CCC(=O)c2c(c1C(=O)O)C	PC-id_82378132	196.223	FPPAWQFCBJBZJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013594
s1c2c(C(OC(=O)C)CC2=O)cc1	PC-id_15048206	196.223	GTATVRCQIQHRJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013595
s1c2C(OCC)C(=O)C(=O)c2cc1	PC-id_85523946	196.223	POXXBBHGQWQPTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013596
s1c(c2CCC(=O)c2c1)CC(=O)O	PC-id_82606592	196.223	XIVLZQPMERFJND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013597
c12sc(C=O)cc1N(C(N)C2=O)C	PC-id_82606600,MCULE-8692823085	196.226	CQIWMWJCMWHKQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013598
CCOC(=O)C1=Nc2c(C1)ncs2	PC-id_68541758,SCHEMBL3185303	196.226	CTFXYIHJVVPGKQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013599
CC(=O)Nc1nc2CCC(=O)c2s1	SCHEMBL13870400,PC-id_57637055,MCULE-7943463261,ZINC22_202098690,EMOLS-id_337168310	196.226	HOOPGOXIDCLUDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013600
NCCN1C(=O)c2c(C1=O)csc2	EMOLS-id_96181197	196.226	YYJAHRUJQMRNRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013601
NC(=O)Cc1cc2c(s1)NC(=O)C2	PC-id_139979574	196.226	XDCHKNWRUQNUAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013602
NC(=O)CN1C(=O)Cc2c1ccs2	PC-id_59473855,SCHEMBL2334984	196.226	KYVFEHFXROVHQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013603
NN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL18831545	196.226	ADPBDJRDLCMXBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013604
O=CNCc1csc2c1CNC2=O	PC-id_142387881	196.226	WQUXKWYSGREJPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013605
s1c2N(C(N)C(=O)c2cc1C=O)C	PC-id_82606601	196.226	PEDNIHUTNZKUND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013606
s1c(c2N(C(N)C(=O)c2c1)C)C=O	PC-id_82606599	196.226	HJKKGGPQGKURRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013607
S1(=O)(=O)CCn2c1cc(c2)CC#N	PC-id_84773972	196.226	DAHNKLDTAQCADW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013608
o1c(C(CCCC)C)c2OCOc2c1	PC-id_86204680	196.243	ZHBXTLBFCOHOTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013609
c12C(C)CCc1n(nc2O)CCCO	MCULE-2472413967,EMOLS-id_330957820	196.246	DKPDRRZYAGWBAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013610
c12C(C)CCc1nn(CCCO)c2O	EMOLS-id_331009454,MCULE-5588037287	196.246	KUINHKVNIRNFKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013611
CC(C(c1c(C)cn2c1OCC2)O)N	PC-id_112488341	196.246	ZFSLIJRJFAIASH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013612
CC(C)Cn1nc2COCc2c1CO	MCULE-5171456635,EMOLS-id_324400216	196.246	QGDVHESACQHAOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013613
CCNCc1noc2c1COC2(C)C	EMOLS-id_266053783	196.246	SBHPIVLMUIEMJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013614
COCCNCc1noc2c1CCC2	PC-id_80462708,EMOLS-id_315975158	196.246	CQIGBDVDICWFII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013615
NCc1noc2c1C(C)(C)OC2(C)C	EMOLS-id_107834113,PC-id_80461812	196.246	RRSNPLRVTYAOIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013616
NCCC1(O)C(C)Cc2c1c(C)no2	PC-id_112715492	196.246	XFYSCLDJOVJNSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013617
o1c2c(CN(C2)C)cc1C(N)C(O)C	PC-id_82399544	196.246	ZPDIVIHTMNSDSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013618
O1C(c2[nH]c(nc2C1(C)C)CO)(C)C	PC-id_79927986,EMOLS-id_114609964	196.246	TXUTVLZRSMFKPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013619
o1nc(c2C(N)(CCc12)CO)C(C)C	PC-id_83907978	196.246	PGCSJGZRFWWRKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013620
o1[nH]c2C(N(Cc2c1=O)C(C)C)CC	PC-id_83847695	196.246	XJQKXYWDMCSFEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013621
OC1(CCc2onc(c12)C(C)C)CN	PC-id_83907976	196.246	BSBOKJMVBCEHLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013622
Oc1n(c(=O)n2c1CCC2)CCCC	PC-id_54287856	196.246	RVKRFHAFVOFSNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013623
Oc1n(nc2c1CCC2)CC(O)(C)C	EMOLS-id_114609636	196.246	MSPHVULTTXJJHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013624
OCC1CC(c2c1n(nc2)CC)CO	PC-id_85433709	196.246	OEDGINKSRISSJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013625
OCC1CC(c2nn(cc12)CC)CO	PC-id_85433710	196.246	XHZWVSBSUOSFFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013626
OC[C@@H]1C[C@@H](c2c1n(nc2)CC)CO	PC-id_12072409	196.246	OEDGINKSRISSJT-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013627
OC[C@H]1C[C@H](c2nn(cc12)CC)CO	PC-id_12072410	196.246	XHZWVSBSUOSFFO-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013628
c1ccc(cc1)/C=C/1CCc2c1[nH]nc2	CoCoCo_3738683,CoCoCo_3738681	196.248	MGTSIYNXABBMSX-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-013629
c1ccc(cc1)/C=C
/CCc2c1[nH]nc2	PC-id_6383915,GD-id_ZINC12410392,CoCoCo_3738682,CoCoCo_3738680	196.248	MGTSIYNXABBMSX-FLIBITNWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-013630
[nH]1ncc2CCC(=Cc3ccccc3)c12	PC-id_4453478	196.248	MGTSIYNXABBMSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-013631
c12N(C)CCn1nc(C(CCO)N)c2	MCULE-8896846694	196.25	BINDIJTWOHTAOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013632
CC(c1n2C(N)CCn2c(=O)c1N)C	SCHEMBL2053329,PC-id_67261731	196.25	QSENMEKCRREWIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013633
CC(Nc1n2CCCn2c(=O)c1N)C	SCHEMBL180595,PC-id_23104189	196.25	PTMNOZBUCFNWSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013634
COC(Cc1nnc2n1CCC2)CN	PC-id_103157477	196.25	ZOWMESLLXSXVKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013635
COCC(c1nnc2n1CCC2)(N)C	EMOLS-id_266063632	196.25	YOAPZAMFXGGGNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013636
COCCC(c1nnc2n1CCC2)N	EMOLS-id_39094434,PC-id_62479849	196.25	MHOCOTXOLURCMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013637
COCCn1nc2c(c1)CN(C2)NC	PC-id_145047611	196.25	DYDLDOMPEOGOHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013638
COCCNCc1nnc2n1CCC2	EMOLS-id_42152796,PC-id_79271661	196.25	QDRUXXMGSYSRNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013639
NCC(Cc1nnc2n1CCC2)(O)C	EMOLS-id_41620728,PC-id_66003361	196.25	AFFYSZFSEAXTLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013640
O1c2n(CC1)cc(n2)C(N(C)C)CN	PC-id_82399504	196.25	CIHUVYHZDRUCNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013641
O1c2n(c(nc2)C(N(C)C)CN)CC1	PC-id_82399482	196.25	UCTXZHXYYHRHAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013642
O=c1n(c2N(CCc2[nH]1)C)CCCN	PC-id_82399515	196.25	KKBAVENJUYIMKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013643
O=c1n(c2N(CCc2[nH]1)C)CC(N)C	PC-id_82399510	196.25	BATABLDJWRDPCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013644
O=c1n(CC(N)(C)C)c2NCCc2[nH]1	PC-id_82399516	196.25	HVOGKNBDWFILIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013645
OCCn1nc2c(c1N)CN(C2)CC	PC-id_105450105	196.25	ISYIBNLSVQAUQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013646
OCCn1nc(c2c1CN(C2)CC)N	PC-id_105450106	196.25	PTOJVWWVEGJMFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013647
c1(C(=O)OCC)csc2CCCc12	PC-id_69375960,MCULE-8500723913,SCHEMBL5260554,EMOLS-id_331062053	196.266	OGODWILTEPZOKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013648
c1(C(=O)OCC)scc2CCCc12	PC-id_138958335,EMOLS-id_320439332,MCULE-1827295772	196.266	BQZVUNGFLFYOQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013649
CC1Cc2c(C1CC(=O)O)ccs2	PC-id_112715498	196.266	JNNRJYDWUGHWFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013650
CC1Cc2c(C1CC(=O)O)csc2	PC-id_112715497	196.266	YRZBNZKQQQPUID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013651
CC1Cc2c(C1C(=O)O)cc(s2)C	PC-id_112715501	196.266	RGEAXONNKBZQTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013652
CC1Cc2c(C1C(=O)O)sc(c2)C	PC-id_112715500	196.266	VRHPFXIBSLNUMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013653
CC1(C)Cc2c(C1)sc(C(=O)O)c2	PC-id_58043928,ZINC22_116054554,EMOLS-id_64088334,MCULE-6557212317,SCHEMBL1393026	196.266	RXULLQCHITUUFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013654
CCC1Cc2c(C1C(=O)O)scc2	PC-id_20213653,SCHEMBL10745355	196.266	OXCKPKNOBOYBFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013655
CCc1cc2c(s1)C(CC2)C(=O)O	SCHEMBL10746503,PC-id_13588841	196.266	YPZWAAAPLGJDPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013656
CCC1CCc2c1c(cs2)C(=O)O	EMOLS-id_96604638,PC-id_116176058	196.266	CNWKPAAXFCWODI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013657
CC(C(=O)O)c1cc2CCCc2s1	PC-id_82606679,EMOLS-id_313812930,MCULE-9208274502	196.266	UHEMLODFNPBVGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013658
CCOC(=O)C1Cc2c(C1)csc2	PC-id_15814412,SCHEMBL7825316	196.266	HCMYHLXVHRWHQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013659
CCOC(=O)c1cc2CCCc2s1	PC-id_24206455,EMOLS-id_31636127,ZINC22_12410865,MCULE-8028194596	196.266	UEKXSJXOYHFWPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013660
COCC(=O)c1sc2c(c1)CCC2	EMOLS-id_266070876,PC-id_115783405	196.266	WZCPWMBXOZOLQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013661
COC(=O)C1CCc2c1sc(c2)C	SCHEMBL10744105,PC-id_13787399	196.266	KUPDIEGEFKMXES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013662
COC(=O)c1c(C)sc2CCCc12	SCHEMBL18499679,EMOLS-id_324736329	196.266	RETYMUVWFKRBHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013663
COC(=O)c1csc2c1C(C)CC2	EMOLS-id_114612337,PC-id_114748210	196.266	GFNNNRCEZPRVBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013664
COC(=O)c1sc2c(c1)CC(C2)C	PC-id_142082190	196.266	WNVRHXGBISXQRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013665
OC(=O)c1cc2c(s1)C(CC2)(C)C	EMOLS-id_42569093,PC-id_79857555	196.266	MOMSHMVEUXNJOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013666
OC(=O)c1csc2c1C(C)(C)CC2	PC-id_83235008,EMOLS-id_96661741	196.266	NMTXWERHKMIPKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013667
OC(=O)CC1CCc2c1sc(c2)C	PC-id_20213606,SCHEMBL10742075	196.266	KEOMOJKKDIGMBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013668
OC(=O)CC1C(C)Cc2c1scc2	PC-id_112715496	196.266	XAMUJCKNGCSDDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013669
OC(=O)CCc1cc2CCCc2s1	EMOLS-id_276931940,MCULE-1467110449,PC-id_82606680	196.266	UDYOEVNQVDSGRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013670
s1c2C(C(Cc2cc1)(C)C)C(=O)O	PC-id_45098842	196.266	NQWNMXPBMOGFAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013671
s1c2C(CCc2cc1)C(C)C(=O)O	PC-id_83907981	196.266	OJKOIMGIVJAXOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013672
s1c2c(CCC2)c(c1CC(=O)O)C	PC-id_82606678	196.266	WZCOGDXGTSSLEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013673
s1c2c(C(CC2)C(C)C(=O)O)cc1	PC-id_82399457	196.266	GNHMQIWGUXSGPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013674
s1c2c(C(CC2)CC(=O)O)c(c1)C	PC-id_82378129	196.266	TVIHUYJYDNCILF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013675
s1c2c(C(CC2)CC(=O)O)cc1C	PC-id_83907980	196.266	OMWGWANTGVFUFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013676
s1c2c(C(CC2)C(=O)O)cc1CC	PC-id_83907985	196.266	IJVDIRGVEFCNNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013677
s1c2c(C(CC2)C(=O)O)c(CC)c1	PC-id_82378124	196.266	AQRPWKQXOBIFTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013678
s1c2[C@@H](C(Cc2cc1)(C)C)C(=O)O	PC-id_45098840	196.266	NQWNMXPBMOGFAM-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013679
s1c2[C@H](C(Cc2cc1)(C)C)C(=O)O	PC-id_45098841	196.266	NQWNMXPBMOGFAM-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013680
s1cc2C(CCc2c1)C(C)C(=O)O	PC-id_83907982	196.266	WRDXMQBKDLKMNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013681
c12CN(Cc1sc(C(=O)NC)c2)C	PC-id_58157573,MCULE-8195258467,EMOLS-id_330872645	196.269	QBPYBLNEBAVLLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013682
c1(C(=O)NC)c2CCCc2sc1N	EMOLS-id_37174532,ZINC22_100102704,PC-id_43367172,MCULE-2492700508	196.269	RQJPAUVICSRWMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013683
c1(C(=O)NC)c(N)c2c(CCC2)s1	EMOLS-id_330867791,MCULE-4899280421	196.269	DJMBLRGXXUWPHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013684
c1(C(=O)NC)csc2CN(C)Cc12	MCULE-6092502802,EMOLS-id_331067174	196.269	IBSFTFHMZHSILD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013685
c1(NC(=O)CC)sc2c(CCC2)n1	MCULE-5531191931,EMOLS-id_37269005,PC-id_60671556	196.269	WPFDCUMIDONHJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013686
c1(NC(=O)CC)snc2CCCc12	PC-id_54774412,MCULE-2636384091	196.269	VMODKRFOAYQDRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013687
CC1CCc2c1c(C(=O)N)c(s2)N	EMOLS-id_40959140,PC-id_65047118	196.269	VYCLPYREQCAQDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013688
Cc1ccc2n1C(=O)N(C2)CSC	PC-id_90693629	196.269	HHYXRCSSZKPQHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013689
CC(C=c1sc(=O)n2c1=NCC2)C	PC-id_89449349,SCHEMBL14790831	196.269	GYDAXUURESKYFV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013690
CCC/C=c
/sc2=NCCn2c1=O	EMOLS-id_181364044	196.269	KIZXGUOQBFDTTP-QPJJXVBHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013691
CC(C(=O)c1cnc2n1CCS2)C	PC-id_112713025	196.269	USJHGDLXFIPKEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013692
CC(C(=O)c1nc2n(c1)CCS2)C	PC-id_112713026	196.269	POSSXRZUKACLNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013693
CC(=O)CSc1[nH]c2c(n1)CCC2	EMOLS-id_265075730	196.269	KBKLRPHNWNRMIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013694
CCON=Cc1sc2c(n1)CCC2	EMOLS-id_266074084	196.269	BUWRSZTYLLHITM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013695
CNc1sc2c(c1C(=O)N)CCC2	PC-id_139458019,SCHEMBL21322615	196.269	POZXTOGLWYWOMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013696
CON=C(c1sc2c(n1)CCC2)C	EMOLS-id_114612810	196.269	BGTUHZQEBDIUSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013697
n12CCN=c1sc(=CCCC)c2=O	MCULE-6733411155,PC-id_84422086	196.269	KIZXGUOQBFDTTP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013698
n1c(C(C)C)c(n2CCSc12)C=O	PC-id_82367463,MCULE-9294251086	196.269	GPXJPEIGNXTOBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013699
NC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_96800109	196.269	QZIOJPXOZVDDES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013700
O=C1NCc2c1sc(n2)C(C)(C)C	SCHEMBL17031863,PC-id_118329367	196.269	YCXUXLLYMOFNGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013701
O=Cc1n(nc2c1CSC2)C(C)C	PC-id_112711788	196.269	WFCSYKAHVLOYEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013702
OCCNN=C1CCc2c1scc2	EMOLS-id_303927394	196.269	VJNCMNKSOJBMTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013703
s1c2CCCc2nc1C(=O)CCN	PC-id_84733406	196.269	QKMWZOUUBPYENY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013704
s1c2c(c(CCCN)c1)C(=O)NC2	PC-id_82399430	196.269	FPPPSVNCJCXUDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013705
s1c2c(c(C(N)(C)C)c1)C(=O)NC2	PC-id_82399429	196.269	OZOVIKYCBSOTPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013706
s1c2c(c(C(N)CC)c1)C(=O)NC2	PC-id_82399431	196.269	DIMKZAMLOPKEIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013707
s1c2CCC(NC(=O)CN)c2cc1	PC-id_83626201	196.269	WHEHMVWTNHXHFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013708
s1c2c(C(N)(CC2)CC(=O)N)cc1	PC-id_83685952	196.269	IUJZZYUULOHOEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013709
s1c2C(N)CC(NC(=O)C)c2cc1	PC-id_82399420	196.269	MWENHGFTDJCNCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013710
S1c2n(CC1)c(c(n2)C)CC(=O)C	PC-id_82606683	196.269	MDMRQPIVJIRDJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013711
S1c2n(CC1)c(c(n2)CC(=O)C)C	PC-id_83879961	196.269	IHQQKGDPQZJEAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013712
s1c(c2CN(Cc2c1)C(=O)C)CN	PC-id_82606695	196.269	HSESASBQWDZAOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013713
S1Cc2n(nc(c2C1)C=O)C(C)C	PC-id_83871771	196.269	DPKWQOLNSFZECI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013714
s1nc(c2CC(Cc12)(C)C)C(=O)N	PC-id_2326818	196.269	WWCGOIGDLQQDAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013715
C1CN(C1)Sn1nc2c(c1)CNC2	PC-id_144959223	196.273	LQDUQDJIASBPJX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-013716
CC1Cn2c(C1C(=S)NC)nnc2	SCHEMBL20438242,PC-id_135274313	196.273	NLPNFOAIHWANCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013717
CCNC(=S)N1Cc2c(C1)c[nH]n2	MCULE-7112284204,EMOLS-id_96760503	196.273	UIVYGLGQSNSZMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013718
CCSc1cc2n(n1)C(N=N2)CC	PC-id_67341827,SCHEMBL2269477	196.273	YEVLCNHEFRCGCW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013719
CCSc1nn2c(c1N)N=C(C2)C	PC-id_69732723,SCHEMBL6286005	196.273	YDCVCKWEPYGAOO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013720
S1c2n(CC1)c(c(n2)C)CC(=N)N	PC-id_83676286	196.273	YWMWXNWTNIYGFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013721
S1c2n(CC1)c(c(n2)CC(=N)N)C	PC-id_83879969	196.273	BOBDFCLNCGROPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013722
S1C(Cn2c1nnc2NCC=C)C	PC-id_60146483	196.273	PKSCQYYDFXJEGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013723
C[NH+](C[C@@H]1Cc2c(C1=O)scc2)C	GD-id_ZINC04934685	196.289	CEPKIOMFHWCQDB-QMMMGPOBSA-O	00000010100000000000000010000000000000000000000000000000	25-01-013724
N#Cc1sc(c2c1SC(C2)C)N	PC-id_102172634	196.293	PZBJOQSDQUPGCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013725
Cc1cc2c(s1)CC(C2(C)O)(C)C	PC-id_91069395	196.309	CEKNTDWERIHHDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013726
CCc1cc2c(s1)CC(C2O)(C)C	PC-id_70641317,SCHEMBL12045180	196.309	OGRTXPCIUZCOHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013727
CCc1oc(c2c1SCC2)C(C)C	SCHEMBL12507882,PC-id_68300395	196.309	QEIYTDFWWVLIPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013728
CCC(c1sc(c2c1COC2)C)C	SCHEMBL19101267	196.309	OPXCUWFREHMVOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013729
CCCC(c1sc2c(c1)CCC2)O	EMOLS-id_266104201,PC-id_115780845	196.309	NCJKXYVTRHFBEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013730
CC(C)(CO)c1cc2CCCc2s1	MCULE-8605019053,EMOLS-id_313848254	196.309	YVRJNYRSGBWNQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013731
CC(C)(O)Cc1cc2CCCc2s1	MCULE-3278437410,EMOLS-id_313850298	196.309	QASSGBXWCLYDEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013732
C[C@@H](O)CCc1cc2CCCc2s1	EMOLS-id_313836725,MCULE-4445354031	196.309	JFMUKLQKBBOWBU-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013733
C[C@H](O)CCc1cc2CCCc2s1	MCULE-2655852735,EMOLS-id_313837237	196.309	JFMUKLQKBBOWBU-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013734
CC(O)CCc1cc2CCCc2s1	MCULE-8913943012,EMOLS-id_313836981	196.309	JFMUKLQKBBOWBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013735
OC1CCc2c1cc(s2)C(C)(C)C	PC-id_58540110,SCHEMBL12024884	196.309	VGFIJRQJILSIIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013736
OC(c1sc2c(c1)CCC2)C(C)C	PC-id_115840178,EMOLS-id_114615903	196.309	ILZMCJLRUNIWLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013737
s1c2c(CCC2)c(c1CC(O)C)C	PC-id_83675078	196.309	XSPLOSRZUZPSJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013738
c1(NC(C)(C)C)sc2c(CCC2)n1	MCULE-1182570957,PC-id_62942000	196.312	YNFGNEIWCOHJTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013739
Cc1c2CSCc2nn1C(C)(C)C	SCHEMBL19721050	196.312	GPQXEUGFSBIXIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013740
CC1NCc2c1sc(n2)C(C)(C)C	PC-id_112481759	196.312	AIJJJFHRVOZDKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013741
Cc1sc2c(n1)CN(C2)C(C)(C)C	SCHEMBL13322748,PC-id_59332338	196.312	RTACQYZCGYTRTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013742
CC(c1sc2c(n1)C(CC2)(C)C)N	PC-id_79857206,EMOLS-id_42568807	196.312	YIAGOBLSLIRAPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013743
CCc1sc2c(n1)CN(C2)C(C)C	SCHEMBL17342852,PC-id_118582044	196.312	LNBNOYCUCQBKRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013744
CC(Cc1cn2c(n1)S[C@@H](C2)C)C	SCHEMBL19185291	196.312	FUULCBRFXFAVBL-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013745
CC(Cc1cnc2n1C[C@H](S2)C)C	SCHEMBL19262401	196.312	MSBDHFZLGUQSKG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013746
CCCc1nc2c(s1)CCC2CN	PC-id_84114939,EMOLS-id_194490142	196.312	TVUMWHIDKZWAGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013747
CCC(c1sc2c(c1)CCC2)NN	PC-id_105281858,EMOLS-id_50841090	196.312	DEUFDNGWZHHEQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013748
CCC(c1sc2c(n1)CCC2)(N)C	EMOLS-id_38234430,PC-id_61336473	196.312	DVKMXNCYHDAUBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013749
CCC(c1sc2c(n1)CCC2)NC	EMOLS-id_38236600,PC-id_61332545	196.312	JHJSFUJRKHQIKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013750
CC(Cc1sc2c(n1)CCC2)(N)C	PC-id_24262062,EMOLS-id_313641958	196.312	NELLFCTUZDYYFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013751
CCCC(c1sc2c(n1)CCC2)N	EMOLS-id_38234006,PC-id_61337821	196.312	QBOCDYUPFDUHDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013752
CCC(Cc1sc2c(n1)CCC2)N	EMOLS-id_39254424,PC-id_62647662	196.312	AVCQJCGJOGDIHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013753
CCCCCc1cn2c(n1)SCC2	PC-id_67939280,SCHEMBL9840784	196.312	HMZRWCHKAMHBCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013754
CCC[C@H]1Sc2c([C@H]1CC)nc[nH]2	SCHEMBL18634544	196.312	YBKNUZUMXZRYJH-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013755
CC(Cn1c(=N)sc2c1CCC2)C	EMOLS-id_114615976	196.312	CAOSNAFXTLPCSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013756
CCCNc1nc2c(s1)CCC2C	EMOLS-id_40959114,PC-id_65046802	196.312	RYQAUUYFXRCDHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013757
CCCNCc1sc2c(n1)CCC2	PC-id_62544984,EMOLS-id_39152581	196.312	QJUFTADVGNWOBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013758
C[C@H](c1sc2c(n1)C(CC2)(C)C)N	MCULE-2375199329	196.312	YIAGOBLSLIRAPQ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013759
C[C@@H](c1sc2c(n1)C(CC2)(C)C)N	MCULE-5839978527	196.312	YIAGOBLSLIRAPQ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-013760
CCN1CCc2c1sc(n2)C(C)C	SCHEMBL14925541,PC-id_89548617	196.312	VZPYXGZSLBEHIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013761
CC(Nc1nc2c(s1)CCC2C)C	PC-id_65046855,EMOLS-id_40959118	196.312	YUNUDPJGSXQPNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013762
CCNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42566845,PC-id_79864011	196.312	WFMVILHPQDQHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013763
CCNc1sc2c(n1)C(CC2)CC	EMOLS-id_96604539,PC-id_116175990	196.312	SIILUOSBZARFHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013764
CC(NCC1CCc2c1ncs2)C	EMOLS-id_194557777	196.312	WNNUEJJJVWPNMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013765
CCNCC1CCc2c1nc(s2)C	EMOLS-id_266104018	196.312	CJSHVXAIFJVNOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013766
CCNC(c1sc2c(n1)CCC2)C	PC-id_61332214,EMOLS-id_38237270	196.312	OSHPRRCLGZCWRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013767
CN1Cc2c(C1)nc(s2)C(C)(C)C	SCHEMBL12340962,PC-id_59463986	196.312	FLNRNDCJWJGPDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013768
CN1CCc2c1nc(s2)C(C)(C)C	PC-id_59463981,SCHEMBL12340959	196.312	RSPUJTILRGIVCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013769
CN1CCc2c1sc(n2)C(C)(C)C	PC-id_59464003,SCHEMBL12340956	196.312	MXUYCMJBYAOBNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013770
CNc1nc2c(s1)C(CC2C)(C)C	EMOLS-id_96721586,PC-id_106662903	196.312	WGLFHYWSDSPNMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013771
CN(CC1CCc2c1nc(s2)C)C	EMOLS-id_114615936	196.312	FVISZMHYZGFMBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013772
CNCC1CCc2c1nc(s2)CC	EMOLS-id_266103920	196.312	BQLBDACKEHABIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013773
CNCc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42568863,PC-id_79857209	196.312	JFVYIFHEIAPSQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013774
CNC(c1sc2c(n1)CCC2)(C)C	PC-id_61331359,EMOLS-id_38236570	196.312	ZMROIVORAIDVID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013775
CNCC(c1sc2c(n1)CCC2)C	EMOLS-id_194617561,PC-id_82076151	196.312	WPLLLFWJGWEONH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013776
CNC(Cc1sc2c(n1)CCC2)C	EMOLS-id_313547857,PC-id_82076150	196.312	ZXJUAXDANNAVOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013777
n1c(CNC(C)C)sc2CCCc12	MCULE-8975575560,PC-id_46784917,EMOLS-id_39152787	196.312	LBFCZBKWDZKYFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013778
Nc1nc2c(s1)C(C(C2)(C)C)(C)C	PC-id_118961427,SCHEMBL17609990	196.312	BTGMKZZRWMSENL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013779
NCC1CCc2c1nc(s2)C(C)C	EMOLS-id_96663867,PC-id_83879972	196.312	SZXICDQAHYJHGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013780
NC(c1sc2c(n1)CCC2)C(C)C	EMOLS-id_38234102,PC-id_24261699	196.312	PXVMMDIRHNLITA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013781
NCC(c1sc2c(n1)CCC2)(C)C	PC-id_103097134,EMOLS-id_96784338	196.312	PYEMWVLVCOABAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013782
NCCc1sc2c(n1)C(CC2)(C)C	PC-id_79856284,EMOLS-id_42568777	196.312	RTWWDDCNRDJDMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013783
NCCCCc1sc2c(n1)CCC2	PC-id_65721339,EMOLS-id_41450546	196.312	KRAVLZFYJWBOPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013784
NCCNCc1sc2c(c1)CCC2	PC-id_104375052,EMOLS-id_313690085	196.312	CVSLAGLDEVWJNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013785
s1c2C(CCc2nc1C(C)C)CN	PC-id_83879975	196.312	XIRRNFKKUIDHLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013786
s1c2CCC(c2nc1CC)CCN	PC-id_84114938	196.312	GNFYUIMOQXJMOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013787
s1c2CCCc2nc1[C@@H](N)C(C)C	PC-id_42078151	196.312	PXVMMDIRHNLITA-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-013788
s1c2CCCc2nc1[C@H](N)CCC	PC-id_82670382	196.312	QBOCDYUPFDUHDJ-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013789
s1c2CCCc2nc1NCC(C)C	PC-id_62941821	196.312	ZLZSKECRTBUXSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013790
s1c2CCC(NC)c2nc1C(C)C	PC-id_83879973	196.312	CCSNVTBPVWKDQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013791
s1c2c(C(N(C)C)(CC2)CN)cc1	PC-id_82399281	196.312	PKBFHEFDSBVBER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013792
s1c2C(NC)CCc2nc1C(C)C	PC-id_83879976	196.312	XJPDMDIALCZOPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013793
s1c(c2CCN(c2c1)C)CCCN	PC-id_82399335	196.312	ZMAMTENEVWYZOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013794
S1Cc2c(c([nH]c2C1)C(C)C)CN	PC-id_84774063	196.312	FHMQZIMTRCCKDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013795
S(c1n(nc2c1CCC2)C(C)C)C	PC-id_83871886	196.312	CIUGGRMYIROHJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013796
Cc1sc(c2c1C[NH+](C2)C(C)C)C	PC-id_122375111	196.332	AFWAIDOPFHZWQU-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-013797
CCC[NH+]1Cc2c(C1)c(sc2C)C	PC-id_122375109	196.332	DRPGFQLLQKMVLZ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-013798
CC([NH2+]Cc1sc2c(c1)CCC2)C	PC-id_51675420,GD-id_ZINC34977700	196.332	JKFCRVIOFJIOFI-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-013799
Clc1c2CCCc2nn1CC1CC1	MCULE-1608483026,EMOLS-id_324389978	196.677	URRNHVHJGIXMRL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-013800
Clc1n(c2C(C(=C(c2n1)C)C)C)C	PC-id_86078358	196.677	WBGRLTLDYHNQRB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-013801
Clc1[nH]cc2C(NC3CC3)CCc12	PC-id_83908038	196.677	KOISLRRLPUJJIA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-013802
[Ge]1(Cc2c(C1)coc2)(C)C	PC-id_14323145	196.82	BEPLQMIKFBYGFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013803
Cc1c(n2CC=Cc2c1)Br	PC-id_163792559	196.984	MYBCFDYIVFVNQF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013804
C1C2=C(CN1C(=O)O)N(N=C2)C(=O)O	PC-id_154408279	197.044	JGAMEEMAVACOKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013805
C1C2=CN(N=C2CN1C(=O)O)C(=O)O	PC-id_149254078	197.044	ZHXSJOZBCQYQIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013806
CCC(=O)C1=C2N(CC(S2)C)N=N1	PC-id_154724072	197.062	SZTJRCYGWCDYRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013807
Cc1c(c(c2n1CCN2)[N+](=O)[O-])OC	PC-id_164168672	197.08	ZTJNZKJHLJSXKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013808
CC(C)[C@@H]1C[C@@H](C2=NC(=NN12)C=O)F	PC-id_153526484	197.096	UAPZAPRETKRBLU-BQBZGAKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013809
CC(CC1=C(C(=O)N2N1CCC2)N)O	PC-id_153740161	197.116	FCIUBEVDDIRSJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013810
[O-]C(=O)N1CCn2c1c(cn2)[N+](=O)[O-]	PC-id_67438689,SCHEMBL2524334	197.128	KWMOFTZBDWPYIK-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-013811
o1nc(c2c1CC(O)C2=O)C(=O)OC	PC-id_82606852	197.145	PXGBZJIGNFWMEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013812
C1c2cn(cc2N(N1)C(=O)O)C(=O)O	PC-id_90936590	197.148	JFBPKWPHNRLFRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013813
C1Cc2nc(c(n2C1)C(=O)O)[N+](=O)[O-]	PC-id_137331620	197.148	UXGNFMJQGQNGAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013814
n1c(C(=O)O)c(N(=O)=O)c2CCCn12	ZINC22_39084403,EMOLS-id_44461987,MCULE-9556157393,SCHEMBL6427012,PC-id_22605315	197.148	VHXIZUADWGVXEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013815
NCC(=O)n1nc(c2c1OCO2)C=O	PC-id_96621726	197.148	GTEFCTIVXGVOAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013816
o1nc2CN(CCC(=O)O)C(=O)c2n1	PC-id_82399171	197.148	QBEVSYAHMLPRHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013817
o1nc2CN([C@@H](C)C(=O)O)C(=O)c2n1	PC-id_82399172	197.148	LJYQWXJRJSSQLL-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-013818
O=Cc1nn(c2c1OCO2)CC(=O)N	PC-id_96621727	197.148	FHPPHPMXKUTULF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013819
O=CCC(=O)n1nc(c2c1OCO2)N	PC-id_98773883	197.148	VLTNGIMJKSJBRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013820
OC(=O)C1CCn2c1ncc2[N+](=O)[O-]	PC-id_83831291	197.148	MMVFGPSVKUYTHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013821
COC(=O)c1cc2C(=O)C(F)Cc2[nH]1	EMOLS-id_320381355	197.163	VEIJQODARQENEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013822
COC(=O)c1[nH]c2c(c1F)C(=O)CC2	PC-id_139035670	197.163	MOFHCKOLZLLVLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013823
FC(F)Cn1nc2CCCc2c1C#N	MCULE-4714798838,EMOLS-id_317867771	197.185	PTIDVHKLVKTWPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013824
C1=C(C(n2c1c(c(c2)CO)CO)O)O	PC-id_89677422,SCHEMBL15094551	197.188	XLSFVRDPJZSRJW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013825
CC1Cc2c(C1(O)CC(=O)O)cno2	PC-id_112715506	197.188	MEXLGHYIIUQOBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013826
CC1Cc2c(C1(O)C(=O)O)c(no2)C	PC-id_112715509	197.188	LHOVVUWOBJWCMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013827
CCOOCc1cc2c([nH]1)C(=O)CO2	PC-id_88257195,SCHEMBL8159411	197.188	SEAZUKMKOXNQBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013828
o1c2C(CCc2nc1COC)C(=O)O	PC-id_82399145	197.188	VONZYDLEZKVALU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013829
O1C(O)(C(C)(C)C)c2c(onc2)C1=O	PC-id_14913967	197.188	BFYOOWQVDNSVQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013830
OC1(CCc2onc(c12)C)CC(=O)O	PC-id_83908041	197.188	IARDOCCTAWNKNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013831
OC1=C(O)Cc2n1cc(c2CO)CO	SCHEMBL4120050,PC-id_68919993	197.188	NRWCUHJHORAQST-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013832
c12CN(Cc1nn(C)c2O)C(=O)OC	MCULE-5106870193,EMOLS-id_324340328	197.191	PAVSVFFXEBBPES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013833
C1COc2cc(nn12)C(=O)NCCO	PC-id_91959837	197.191	ILFZJLISKHFKMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013834
CC(C1Oc2n(C1)cc(n2)[N+](=O)[O-])C	PC-id_59212246,SCHEMBL13433891	197.191	SWEWXPHEOFYARI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013835
CCOC(=O)C1Cc2c(N1)c(no2)N	SCHEMBL20637792,PC-id_137405521	197.191	WXOPYAYVHPJGGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013836
CCOC(=O)c1nn2CCC(c2n1)O	PC-id_137412570,SCHEMBL20645985	197.191	GNKOSJLXJYFWJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013837
CCOC(=O)N1Cc2noc(N)c2C1	PC-id_53841156,MCULE-5091991900,SCHEMBL9543934,EMOLS-id_49847429	197.191	GJEJGEPQIZPLQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013838
CN(C(=O)c1nn2CCOc2c1)OC	PC-id_91959896	197.191	RJNDRENUHJNQJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013839
COC(=O)c1nc2c(n1C)CN(C2)O	SCHEMBL17380089,PC-id_118613833	197.191	CYKIRHVFZMRYRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013840
COC(=O)C(c1cn2CCNc2n1)O	PC-id_137218945	197.191	XYLOAZFBNHTERN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013841
NCC(c1cc2n(n1)CCO2)C(=O)O	PC-id_112488283	197.191	HNHYEFTVQHSIKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013842
NCC(c1cn2c(n1)OCC2)C(=O)O	PC-id_112488282	197.191	PISWLNFGUKPJRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013843
NCC(c1cnc2n1CCO2)C(=O)O	PC-id_112488281	197.191	RGVJGLRDQZKUOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013844
NC(C(=O)O)Cc1cn2c(n1)OCC2	PC-id_112488280	197.191	GSBZYBVWBXPILO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013845
NC(C(=O)O)Cc1ncc2n1CCO2	PC-id_112488284	197.191	LVHMWPOFWYVUGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013846
O1c2n(nc(CC(N)C(=O)O)c2)CC1	PC-id_82399102	197.191	XSDZQASJQWOXCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013847
o1nc2c(C(N(C2)C(=O)OC)C)c1N	PC-id_83847767	197.191	LUXVUROFJJCSSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013848
o1nc2C(N(Cc2c1N)C(=O)OC)C	PC-id_83847768	197.191	OPAFUVPMDVFUON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013849
o1nc(N)c2CN(C(c12)C)C(=O)OC	PC-id_83847764	197.191	KRARWMDRMOLJPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013850
o1nc(N)c2C(N(Cc12)C(=O)OC)C	PC-id_83847763	197.191	VFQIQSOJBZHTIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013851
O(C1CCn2nnc(c12)CO)C(=O)C	PC-id_362187	197.191	RMLJQRMKNCLPOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013852
O=c1n(c2c([nH]1)CNC2)CCC(=O)O	PC-id_82399094	197.191	UEEIYKGCWKTQSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013853
O=c1n(c2c([nH]1)CN(C2)C)CC(=O)O	PC-id_82399117	197.191	VWGNLPSCPPAQQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013854
O=c1n(c2c([nH]1)CNC2)C(C)C(=O)O	PC-id_82399119	197.191	IOEGEIJSEZUYKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013855
O=c1n(c2N(CCc2[nH]1)C)CC(=O)O	PC-id_82399118	197.191	HDZQMACBHCQGSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013856
O=c1n(c2NCCc2[nH]1)[C@@H](C)C(=O)O	PC-id_82399093	197.191	SXACFYFGYIKOEL-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013857
O=C1N(c2n([nH]c(=O)c2O)C1(C)C)C	PC-id_18342076	197.191	DTNIJNDNUQNHRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013858
O=c1[nH]n(c2c1CN(C2)C(=O)OC)C	PC-id_83847774	197.191	IIOADBCPOIGZCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013859
O=c1n([nH]c2c1C(NC2)CC(=O)O)C	PC-id_83818797	197.191	WJQSWRJKKQZUOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013860
O(Cc1n2CCCc2nn1)CC(=O)O	PC-id_62874350,EMOLS-id_39421484	197.191	YSGKMKBNTOCFPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013861
O(Cc1n2CCC(c2nn1)C(=O)O)C	PC-id_82399124	197.191	PUZQGTRJUVVLRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013862
OC(c1n2CCNc2c(n1)C)C(=O)O	PC-id_82399121	197.191	NWUWHEABHRIRDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013863
OCc1nnn2c1[C@@H](CC2)OC(=O)C	CoCoCo_5683551	197.191	RMLJQRMKNCLPOD-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013864
OCc1nnn2c1[C@H](CC2)OC(=O)C	NSC625778,CoCoCo_5683550	197.191	RMLJQRMKNCLPOD-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013865
OCCN1Cc2c([nH]nc2C(=O)O)C1	PC-id_83915821	197.191	ZXRCOQLRWIQWMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013866
OCCn1nc2c(c1C(=O)O)CNC2	PC-id_105450500	197.191	GZTIIUNNSAPSJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013867
OCCn1nc(c2c1CNC2)C(=O)O	PC-id_105450501	197.191	MCDAJOIPTXHOGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013868
OC(=O)C1n2c(nnc2COC)CC1	PC-id_82399125	197.191	DUJVJFMOVBPTQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013869
OC(=O)CCn1[nH]c2c(c1=O)CNC2	PC-id_105450503	197.191	AAKFWVCNRJYEOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013870
O(C(=O)N1C(c2c([nH][nH]c2=O)C1)C)C	PC-id_83847771	197.191	AWRXNZGNJDVJOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013871
O(C(=O)N1C(c2[nH][nH]c(=O)c2C1)C)C	PC-id_83847772	197.191	UPGYZNWAJUKXBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013872
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)CC	SCHEMBL16624944,PC-id_117999624	197.191	PWJVLFDJBZSZQQ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013873
CCC1NNc2c(c(nn12)C(=O)O)N	PC-id_136660780	197.195	SMBITXKYWFMTFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013874
n1c(CC(N)C(=O)O)nn2CCNc12	PC-id_136927048,MCULE-4916662009	197.195	DSBSFHQRGWENJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013875
OC(=O)C(N)c1nn2CCN(c2n1)C	PC-id_82399087	197.195	AGDVQMCRSSZPFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013876
OC(=O)C(N)c1nnn2c1N(CC2)C	PC-id_83880034	197.195	RHYZPLYYFCMZEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013877
CCC1Cc2c(C1)c(c([nH]2)C(=O)O)F	PC-id_70289695,SCHEMBL8153482	197.206	IXTDWJUXTAJXLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013878
CCC1CCc2c1c(F)c([nH]2)C(=O)O	SCHEMBL8159263,PC-id_70291051	197.206	KEWSHJSARYRYFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013879
CCC1CCc2c1[nH]c(c2F)C(=O)O	SCHEMBL8153472,PC-id_70289694	197.206	SJKLXHKPEZCDLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013880
CC[C@H]1Cc2c(C1)c(c([nH]2)C(=O)O)F	PC-id_57659853,SCHEMBL12777394	197.206	IXTDWJUXTAJXLZ-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013881
CC[C@H]1CCc2c1c(F)c([nH]2)C(=O)O	SCHEMBL12777395,PC-id_57659959	197.206	KEWSHJSARYRYFR-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013882
CC[C@@H]1CCc2c1[nH]c(c2F)C(=O)O	PC-id_57659866,SCHEMBL12777383	197.206	SJKLXHKPEZCDLI-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013883
CCOC(=O)c1[nH]c2c(c1F)CCC2	PC-id_145711184,ZINC22_1857793552,MCULE-8218579586,EMOLS-id_323922321	197.206	MCBCUZAOVYCSIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013884
CCCC(=O)c1nn2CCC(c2n1)F	PC-id_134577352,SCHEMBL20228730	197.209	OPCMQJRPDAOLIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013885
CCC(=O)c1nn2c(n1)[C@@H](C[C@@H]2C)F	PC-id_138515817,SCHEMBL20867613	197.209	RVGRSRPOQLGMPQ-NTSWFWBYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013886
O=C(C(F)(C)C)N1Cc2c(C1)c[nH]n2	MCULE-6460117059	197.209	PBCMBNHKYNHLDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013887
C1c2csc(c2CN1C(=O)O)C=O	SCHEMBL9238898,PC-id_88432502	197.211	LHISLBJKYLDGAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013888
CCCc1nc2c(s1)C(=O)OC2=O	PC-id_117528936	197.211	YVJADFXIBWEXMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013889
CN1Cc2c(C1=O)scc2C(=O)O	PC-id_82399058,SCHEMBL14532683	197.211	YPTMMDUTLZOAAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013890
CN1CC(=O)c2c1c(sc2)C(=O)O	PC-id_112545368	197.211	YHQRSZFMHYGERM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013891
COC(=O)c1cc2c(s1)NC(=O)C2	PC-id_18627003,SCHEMBL6626408	197.211	FODNQXMPHRSBLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013892
O=C1Cc2c(N1C)sc(c2)C(=O)O	PC-id_96621648	197.211	XGLJQYBCBOAPNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013893
O=C1CN(c2c1c(sc2)C(=O)O)C	PC-id_112545367	197.211	YTRJCENMTFKCOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013894
OCCN1C(=O)c2c(C1=O)csc2	EMOLS-id_114619920	197.211	FQNYLLIUOAZSSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013895
[O-][N+](=O)CC1CC(=O)c2c1ccs2	PC-id_67257893,SCHEMBL2040446	197.211	BUWSEZUSGNBMJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013896
s1c2c(c(c1C(=O)O)C)C(=O)NC2	PC-id_82399059	197.211	PRTYBNPERAYCBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013897
s1c2c(CCC2=O)c(c1N)C(=O)O	PC-id_83669421	197.211	HRZKISSFDLYCIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013898
s1c2c(c(CC(=O)O)c1)C(=O)NC2	PC-id_82399060	197.211	WLXWFZCBNJRXRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013899
s1c2c([C@@H](NC2=O)C)c(c1)C(=O)O	PC-id_82399057	197.211	SQJOITLUGHUWLG-VKHMYHEASA-N	00000010100000000000000010000000000000000000000000000000	25-01-013900
s1c2c(CN(C2=O)C)cc1C(=O)O	PC-id_83681441	197.211	DHVSLCIVOPCSBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013901
s1c2c(C(OC)C(=C2)[N+](=O)[O-])cc1	PC-id_13897092	197.211	HPZDWFSPWBTDLT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013902
s1c2c(N(CC2=O)C)cc1C(=O)O	PC-id_84014731	197.211	HEGLAIIMDOQWIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013903
s1c2c(N(C(=O)C2)C)cc1C(=O)O	PC-id_82399067	197.211	MIWWLQARZBQAQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013904
s1c2c(N(C(O)C2=O)C)cc1C=O	PC-id_82606913	197.211	GRMLGSKCVNZPHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013905
s1c2N(CC(=O)c2cc1C(=O)O)C	PC-id_84014733	197.211	QFFAEXGNTGCIRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013906
s1c2N(C(O)C(=O)c2cc1C=O)C	PC-id_82606914	197.211	GONWFTICTZHSLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013907
s1c(c2c(N(C(O)C2=O)C)c1)C=O	PC-id_82606911	197.211	JKSDMOJVMNTYAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013908
s1cc2C(OC)C(=Cc2c1)[N+](=O)[O-]	PC-id_13897094	197.211	JGWGTGCILVFQDE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-013909
s1c(c2N(C(O)C(=O)c2c1)C)C=O	PC-id_82606912	197.211	XOXPKRSFSVCOFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013910
s1c(nc2c1C(=O)OC2=O)C(C)C	PC-id_83880039	197.211	KINNWVWBJRXPEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013911
N#Cc1n(C)nc2c1CS(=O)(=O)C2	PC-id_105450536	197.214	BYSFPQYDCCHQJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013912
N#Cc1nn(c2c1CS(=O)(=O)C2)C	PC-id_105450534	197.214	RCDPPGLQNUKJLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013913
S1(=O)(=O)CCn2c1nc(c2)CC#N	PC-id_84774285	197.214	CMVSMXDQLWVOLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013914
S1(=O)(=O)CCn2c1nc(c2)C[N+]#[C-]	PC-id_83484914	197.214	LUNHARODKMTFPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013915
S1(=O)(=O)CCn2nc(cc12)CC#N	PC-id_84774286	197.214	VXGRAIFHLBXSTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013916
S1(=O)(=O)CCn2nc(cc12)C[N+]#[C-]	PC-id_83484915	197.214	CSJCIQCZCRIEQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013917
O1C(c2c(onc2CO)C1(C)C)(C)C	PC-id_80462677,EMOLS-id_107384759	197.231	SAKFQBWVMZSPAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013918
O(C1C(O)Cn2c1c(cc2)CO)CC	PC-id_85686265	197.231	IZPONNQZDDQFCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013919
OC1C(O)Cn2c1c(cc2)COCC	PC-id_85686280	197.231	FYESRVXJFHQWSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013920
CN1C(C)(C)c2c(C1(C)C)[n+](on2)[O-]	PC-id_18957951,SCHEMBL9308395	197.234	CQVMKBARSHRPBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013921
CON(C(c1nn2c(c1)CCC2)O)C	PC-id_142970696	197.234	OFYWVUQHCVEADC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013922
O1c2n(CC(N)(C)C)c(=O)[nH]c2CC1	PC-id_82398977	197.234	QKDFAXCHJWQBKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013923
O1c2n(c(nc2)C(O)C(N)CC)CC1	PC-id_82398915	197.234	KVAMNVYGSNORBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013924
O1c2n(nc(C(O)C(N)CC)c2)CC1	PC-id_82398914	197.234	SEKFXSDDEAIIBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013925
OCC(n1nc2c(c1)CN(C2)C)CO	SCHEMBL17624287,PC-id_118974277	197.234	XCOGNEGIAIXDLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013926
OCC(n1ncc2c1CN(C2)C)CO	SCHEMBL17624476,PC-id_118974443	197.234	RVUMTBCLVINCMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013927
S1c2n(CC1)cc(n2)CCC(=O)[O-]	PC-id_7200778	197.234	GTQILRGACQTHAA-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-013928
c12N(C)CCn1nc(C(O)CNC)n2	MCULE-3603080752	197.238	LCMYCAYVLYQXIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013929
CCC1NNc2c(c(nn12)OCC)N	PC-id_136654495	197.238	LWZVMMNMVGOHFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013930
O1c2n(c(nn2)C(N(C)C)CN)CC1	PC-id_82398899	197.238	ZPKABFRTFNVLKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013931
O1c2n(nc(n2)C(N(C)C)CN)CC1	PC-id_82398896	197.238	VEQGYOGSSNQBGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013932
O(CC(N)c1nnn2c1N(CC2)C)C	PC-id_82398900	197.238	QHRAPMWRKJBEMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013933
CC1CCc2c1c(CN)nn2CCF	EMOLS-id_331015161,MCULE-9318205246	197.253	GNOXZACUWQWXOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013934
CC1CCc2nn(CCF)c(CN)c12	EMOLS-id_330998201,MCULE-4136849190	197.253	MXBFWEDOUFKHTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013935
CN1Cc2c(C1)cn(n2)CC(F)(C)C	PC-id_117633275,SCHEMBL16152039	197.253	AQRFADMUHJVZRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013936
CNCc1c2CCCc2nn1CCF	EMOLS-id_324387679,MCULE-5638934131	197.253	WGIYYCLGDAZFJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013937
Nc1nn(c2c1C(C)(F)CC2)C(C)C	PC-id_105450773	197.253	NVVUDHFCYLDPFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013938
NCc1nn(c2c1C(C)(F)CC2)CC	PC-id_105450774	197.253	KVVVULMBVSVQPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013939
NCc1nn(c2c1C(F)CC2)C(C)C	PC-id_105450775	197.253	IBTFUPXCHIIINZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013940
c12CN(Cc1sc(C(=O)OC)c2)C	EMOLS-id_337648634,MCULE-5471312828,PC-id_22937045,SCHEMBL3310435	197.254	HREAZYRQYKHIPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013941
c12CN(Cc1sc(OC)c2C=O)C	MCULE-5727017396,EMOLS-id_331064103	197.254	KRGIAWOJCATKLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013942
C1Cc2c(C1CNC(=O)O)ccs2	PC-id_88992647,SCHEMBL12970659	197.254	BPZQIWBOYPZYRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013943
c1(C(=O)N)c2CCCc2sc1OC	EMOLS-id_331061286,MCULE-4938552315	197.254	KXHFSRHEYHDTCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013944
c1(C(=O)OC)c2CCCc2sc1N	CK1199017,SPECS-id_AN-153/I119426,PC-id_2818378,BAS-00115434,EMOLS-id_631387,SPECS-id_AG-690/33033047,SPECS-id_AT-084/J157484,SPECS-id_AT-225/JK21173,ZINC22_3684633,CoCoCo_127663,MCULE-7789250118,ChEMBL-DNDi_CHEMBLC798-0034,SCHEMBL2181401	197.254	XUKGZPUAFGAYHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013945
c1(C(=O)OCC)cc2c(CNC2)s1	EMOLS-id_207613871,MCULE-4669626873	197.254	USSMORVMUFUQTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013946
c1(C(=O)OCC)csc2CNCc12	EMOLS-id_331066666,MCULE-5435729173	197.254	IUSFFLGEAMDDJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013947
c1(C(=O)OC)c(N)c2c(CCC2)s1	CoCoCo_6960004,MCULE-8226635788,EMOLS-id_96142145,TIMTEC22411,PC-id_2769529	197.254	UGXVBUYVZYIKNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013948
c1(C(=O)OC)csc2CN(C)Cc12	EMOLS-id_331064614,MCULE-1404477231	197.254	HXIIHPLGXGPDRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013949
CC1Cc2c(C1(N)C(=O)O)ccs2	PC-id_112715518	197.254	WNJWTUWDODUZPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013950
CC1Cc2c(C1(N)C(=O)O)csc2	PC-id_112715517	197.254	PELVLKHVEXNFRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013951
CC1Cc2c(C1(N)C(=O)O)scc2	PC-id_112715516	197.254	RHPIYOWVZVSUGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013952
CC1CCc2c1c(N)c(s2)C(=O)O	PC-id_121226701	197.254	ZTBMAIKCEJMUFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013953
CC1(C)CCc2sc(nc12)C(=O)O	EMOLS-id_42569111,MCULE-4139084069,PC-id_79856543	197.254	IYIGEKREJSBKLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013954
CCc1nc2c(s1)CCC2C(=O)O	EMOLS-id_96616827,PC-id_104287231	197.254	JCOITFFRXVFMMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013955
CC(c1sc2c(n1)CCC2)C(=O)O	EMOLS-id_96722725	197.254	ZWTZSQHVLYLMDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013956
CC(=O)c1sc2c(n1)C(OC2)(C)C	EMOLS-id_96828142	197.254	WWBRSEKCOWRKKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013957
CCOC(=O)C1Cc2c(N1)scc2	SCHEMBL7676113,PC-id_60123188	197.254	SMENDEAFRSVVJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013958
CCOC(=O)C1CCc2c1ncs2	PC-id_91670682	197.254	MFXNKZOQSGATOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013959
CCOC(=O)c1ccn2c1CSC2	PC-id_118931401,SCHEMBL17574566	197.254	YCXUJDVPTMGKOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013960
CCOC(=O)c1ccn2c1SCC2	PC-id_118931396,SCHEMBL17574560	197.254	MXJTXGJSYPKTJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013961
CCOC(=O)c1scc2c1CNC2	SCHEMBL9408088,PC-id_18947061	197.254	KGPKGEMJNOXXJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013962
CCOC(=O)[C@@H]1CCc2scnc12	ZINC22_131818192	197.254	MFXNKZOQSGATOY-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013963
CC(=O)OCc1sc2c(n1)CCC2	SCHEMBL9045437,PC-id_67757892	197.254	FJCVDTLRXODFFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013964
CN(C1CCc2c1ccs2)C(=O)O	SCHEMBL12970660,PC-id_88992648	197.254	FUPYIMJVMNZRKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013965
COC(=O)c1cc2c(s1)NC(C2)C	PC-id_141534119	197.254	XAPCAPXYZYWICB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013966
CONC(=O)c1sc2c(c1)CCC2	PC-id_60717626,EMOLS-id_37354617	197.254	QTZOSMPYPPSHPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013967
NC1CCc2c1c(C)c(s2)C(=O)O	PC-id_112481762	197.254	GYGWIMVGTRCEPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013968
NC(C(=O)O)c1cc2CCCc2s1	EMOLS-id_313787335,PC-id_82607035,MCULE-9306581150	197.254	ATTWDAFIXXUIDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013969
O=CCCn1sc2c(c1=O)CCC2	SCHEMBL9308014,PC-id_19021023	197.254	NGQZHJLHRBRFMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013970
OCC(=O)c1cc2c(s1)CCN2C	PC-id_97705735	197.254	HPCYBQMQHBCCQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013971
OC(=O)Cc1cc2c(s1)CCN2C	PC-id_97705736	197.254	IAKPZJIERPDPDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013972
OC(=O)Cc1cc2c(s1)N(CC2)C	PC-id_96621475	197.254	OGDHXWOPBQQXNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013973
OC(=O)CCc1sc2c(n1)CCC2	PC-id_39239870,EMOLS-id_313539423	197.254	CVAMXIFVSCJFTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013974
[O-][N+](=O)CC1CCc2c1scc2C	SCHEMBL2039724,PC-id_67257627	197.254	YAOWNFAXUDSXQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013975
[O-][N+](=O)CCc1cc2CCCc2s1	EMOLS-id_313791693,MCULE-3399097056	197.254	DSDHWTMPFBDBQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013976
s1c2CCC(c2nc1C)CC(=O)O	PC-id_83880135	197.254	CRHRTEQMJPWKCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013977
s1c2C(CCc2nc1C)CC(=O)O	PC-id_83880137	197.254	OLFPEFYTGRFTKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013978
s1c2CCCc2nc1CC(=O)OC	PC-id_61336115	197.254	SNHDAXFBONKKKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013979
s1c2c(C[C@@](O)(C2=NOC)C)cc1	PC-id_11298544	197.254	YSKBKUOIIUAPJA-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013980
s1c2c(CC(O)(C2=NOC)C)cc1	PC-id_21578627	197.254	YSKBKUOIIUAPJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013981
s1c2c(C(N)(CC2)C(=O)O)cc1C	PC-id_83908057	197.254	UNKBPARFZQCOGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013982
s1c2c(C(N)(CC2)C(=O)OC)cc1	PC-id_83908054	197.254	RYODOSTYBUCBAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013983
s1c2CN(Cc2cc1C(=O)O)CC	PC-id_55252847	197.254	ZTBUSNIXMMCXEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013984
s1c2C(N)(CCc2cc1C)C(=O)O	PC-id_83908056	197.254	JRVWCMZRHPVWEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013985
s1c2C(N)(CCc2cc1)C(=O)OC	PC-id_83908052	197.254	KXSWUVHDNNTADP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013986
s1c2C(O)CC(NC(=O)C)c2cc1	PC-id_82398819	197.254	SIOHYXIORBSBNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013987
s1c2N(CCc2cc1C(=O)OC)C	PC-id_10679438	197.254	FLSHGJCNOHAAPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013988
s1c(c2CCC(N)c2c1)CC(=O)O	PC-id_82607043	197.254	XAFPCCKXUYSLSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013989
s1c(c2CCN(c2c1)C)CC(=O)O	PC-id_82398865	197.254	AHGTWQUHUKRVMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013990
s1c(c2c(COC2)c1)C(=O)CNC	PC-id_82398817	197.254	GGNPHICRIMGILW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013991
s1c(c2CN(Cc2c1)CC)C(=O)O	PC-id_82372656	197.254	HNNRQWVBZWNXPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013992
s1c(c2CN(Cc2c1)C)CC(=O)O	PC-id_82607041	197.254	SBVDZLFDLKHWML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013993
s1cc2C(N)(CCc2c1)C(=O)OC	PC-id_83908053	197.254	MSWUJWWQGZCOKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013994
S1Cc2c([nH]c(c2CC(=O)O)C)C1	PC-id_84774528	197.254	RIXBIBDMJYRBRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013995
s1c(C(=O)OCC)nc2c1CCC2	MCULE-3373404649,SCHEMBL8005977,PC-id_57965085	197.254	JBJZEXNEARLALM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013996
S1Cn2c(C1)cc(c2C)C(=O)OC	PC-id_71575588	197.254	IRUKMDRUQZNMHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-013997
S(c1cc2n(CCC2C(=O)O)c1)C	PC-id_14570923	197.254	XBLPFQYHNQSFHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013998
S(c1n2CCC(c2cc1)C(=O)O)C	PC-id_14570920	197.254	KWKPMAWTVPLRTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-013999
SCCOc1cc2n(C(=O)CC2)c1	PC-id_85547164	197.254	CIDBQYPBXUKLIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014000
c12c(CCC1C(=O)NC)sc(N)n2	MCULE-1766139702,EMOLS-id_42772720,PC-id_45496556	197.257	HMZWVLIKDQFXIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014001
c12CN(Cc1sc(N)c2C(=O)N)C	MCULE-7652394897,EMOLS-id_331064616	197.257	AUYPAAVHPDCILH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014002
c1(C(=O)NC)c2CNCc2sc1N	EMOLS-id_331066668,MCULE-1250813426	197.257	KFNLDNRDMPBIAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014003
c1(C(=O)NC)c2CSCc2nn1C	EMOLS-id_324395871,MCULE-4901223677	197.257	WZMVQPHSOCMHQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014004
c1(C(=O)NN)c2CCCc2sc1N	MCULE-9695214133,GD-id_ZINC05830391,EMOLS-id_68832502,PC-id_4568096,SPECS-id_AM-879/PD00708	197.257	NFRVAUHXHOSXRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014005
c1(C(=O)N)sc2CN(Cc2c1N)C	MCULE-6307301352,EMOLS-id_330874437	197.257	BYOZRNSFFULKJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014006
CCS(=O)N=C1CCn2c1ncc2	MCULE-7314439222	197.257	TWOWKSUPDFEIMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014007
CN1C(=O)C(n2c1ncc2S)(C)C	PC-id_144206038	197.257	CFDFXFFNBNSJEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014008
CNC(=O)[C@@H]1CCc2sc(N)nc12	EMOLS-id_337397082,ZINC22_16916709,PC-id_27421976	197.257	HMZWVLIKDQFXIR-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014009
CNC(=O)[C@H]1CCc2sc(N)nc12	PC-id_27421980,ZINC22_16916716	197.257	HMZWVLIKDQFXIR-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014010
CNC(=O)Nc1sc2c(n1)CCC2	PC-id_115579921,EMOLS-id_96695385	197.257	DPARUERTIZKOBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014011
CSCC(=O)N1Cc2c(C1)c[nH]n2	MCULE-3567585304,EMOLS-id_107582673	197.257	QBMPAQRGWVQSSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014012
CS(=O)N=C1CC(n2c1ncc2)C	MCULE-4292326655	197.257	GNUDRALICKEXJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014013
n12C(=O)CSc1nc(CC(C)C)n2	PC-id_82357924,MCULE-7325070823	197.257	VEUFANAAIVUGSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014014
NCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357767,PC-id_61512043	197.257	OAINJLDRUFHANR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014015
NC(=O)CSc1[nH]c2c(n1)CCC2	EMOLS-id_265079172	197.257	QWXSQEOBGXXVNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014016
s1c2c(CCC2)c(c1N)C(=NO)N	PC-id_59926525	197.257	KGGWGHSTOZNZJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014017
s1c2c(nc1NC(=O)CC)CNC2	PC-id_82194053	197.257	VJWFSHGBZNYJDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014018
s1c2CN(Cc2nc1N)C(=O)CC	PC-id_82194165	197.257	MPPWBZHHPURRES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014019
S1c2n(CC1)c(c(n2)C)C(=O)CN	PC-id_82398791	197.257	KGYFDRNGMBIPFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014020
S1c2n(nc(c2)C(=O)CNC)CC1	PC-id_82657958	197.257	HGMIZKOEHPIXPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014021
S1c2n(nc(n2)CCCC)C(=O)C1	PC-id_82357918	197.257	KZQCXQHSCNKEIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014022
S1c2n(nc(n2)C(C)(C)C)C(=O)C1	PC-id_82357920	197.257	DZJRVJNAMIYAIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014023
S1CCn2c1nc(c2)C(=O)CNC	PC-id_82657957	197.257	HOKAHJDJZLCLRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014024
S1CCn2c(C(=O)CCN)cnc12	PC-id_82607052	197.257	KWWSSISGSWRACK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014025
S1CCn2c(C(=O)CNC)cnc12	PC-id_82607051	197.257	DZFHAWDHGIICDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014026
s1nc(c2N(C(=O)C(c12)C)C)CN	PC-id_82607059	197.257	UUTCJXRLHDMGKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014027
CCSc1nn2c(c1N)N=NC2C	PC-id_69732824,SCHEMBL6286474	197.261	YXZGOSNWQBDRIF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014028
n1(c2CCCc2cc1)Cc1ccccc1	PC-id_10442695	197.276	IJPHLDXURCJUGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-014029
[nH]1c2c(CCC2)cc1Cc1ccccc1	PC-id_70680074	197.276	VUEJLWHTYRLLSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-014030
c1(C#N)c2CSCc2sc1OC	EMOLS-id_331063081,MCULE-5635966787	197.277	IYGAGNPBGWFHEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014031
NCCC1(O)C(C)Cc2c1scc2	PC-id_112715527	197.297	QGEZQVHVMHFRGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014056
CC(=O)CN1CC[n+]2c(C)csc12	ZINC22_3050245,PC-id_3794511,GD-id_ZINC03050245,MCULE-1058638180	197.277	NJJFXVYCSODRIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014032
s1ncc2C(N([O])C(c12)(C)C)(C)C	PC-id_21860657	197.277	YSPKQDKMTPLXBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014033
c1(CNC)c2CCCc2sc1OC	MCULE-8362497859,EMOLS-id_331061542	197.297	LYQCSJPOELYCOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014034
c1(C(O)C(C)N)cc2c(CCC2)s1	PC-id_112488234,MCULE-8588425925	197.297	NCALSWYQNQVNJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014035
CC1Cc2c(C1(O)CCN)ccs2	PC-id_112715529	197.297	OCGJKOOCAQFENO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014036
CC1Cc2c(C1(O)CCN)csc2	PC-id_112715528	197.297	OWKVSFOIYJTTCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014037
CC1CC(C)(C)c2c(CS)noc12	EMOLS-id_259607334,MCULE-2627978051	197.297	XVIWWMFTBLNDNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014038
CC(c1sc2c(n1)C(CC2)(C)C)O	EMOLS-id_42571443,PC-id_79862946	197.297	HVJHXVUPEPDWBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014039
CC(c1sc2c(n1)C(OC2)(C)C)C	EMOLS-id_114625958	197.297	AYTXYZQMPFJJKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014040
CCCCn1sc2c(c1=O)CCC2	PC-id_13747913,SCHEMBL9172485	197.297	ZKYRDPJGSRAIEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014041
CC(CNC1CCc2c1scc2)O	EMOLS-id_304182593	197.297	MSQVCIZXPLLXOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014042
CC(C)(ON)c1cc2CCCc2s1	EMOLS-id_313839029,MCULE-5105181125	197.297	KUEXHYTXITVNPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014043
CC(CON)c1cc2CCCc2s1	MCULE-5280089014,EMOLS-id_313839541	197.297	FUDWXNAUQDVPKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014044
C[C@@H](CNC1CCc2c1scc2)O	EMOLS-id_266183700	197.297	MSQVCIZXPLLXOG-JAVCKPHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-014045
C[C@H](CNC1CCc2c1scc2)O	EMOLS-id_266183745	197.297	MSQVCIZXPLLXOG-YOXFSPIKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014046
CC(N)(CO)c1cc2CCCc2s1	EMOLS-id_313790669,MCULE-2787983360	197.297	FEPRBLDGCCEZQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014047
CC(O)C(C)c1nc2CCCc2s1	EMOLS-id_277348308,MCULE-4343932614	197.297	CZFGVBBUMMTAGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014048
CC(O)(CN)c1cc2CCCc2s1	EMOLS-id_313790925,MCULE-5854278676	197.297	HIXXODUKQRPTJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014049
CNCc1csc2c1C(C)(C)OC2	EMOLS-id_96828262	197.297	UIFBUPKNYHUPJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014050
CNCC(c1scc2c1CCC2)O	PC-id_112488235	197.297	HEDKNIBMNHBZGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014051
CNCC(O)c1cc2CCCc2s1	MCULE-3987232414,EMOLS-id_313814977,PC-id_82607101	197.297	CBYWTYXQOAXQHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014052
COCC(c1sc2c(c1)CCC2)N	PC-id_105008743,EMOLS-id_194468212	197.297	NESPQGLUIYHESQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014053
Nc1csc2c1C(C)(C)OC2(C)C	PC-id_114749326,EMOLS-id_96637254	197.297	UXROLICVHYNHQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014054
NCC1(O)C(C)Cc2c1cc(s2)C	PC-id_112715526	197.297	DSIMWLKFYRJYNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014055
NCC[C@H](O)c1cc2CCCc2s1	EMOLS-id_263000004,MCULE-9829810592	197.297	UAAGGNGKNVKFAQ-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014057
NCC[C@@H](O)c1cc2CCCc2s1	MCULE-1692939414,EMOLS-id_313836982	197.297	UAAGGNGKNVKFAQ-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014058
NCC(CO)c1cc2CCCc2s1	MCULE-2559941556,EMOLS-id_313838262	197.297	MQTYPJRWPVBOAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014059
NC(CCO)c1cc2CCCc2s1	MCULE-6467911057,PC-id_82607102,EMOLS-id_313811139	197.297	MDRYDOVNLMZJMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014060
NCCCOc1cc2CCCc2s1	MCULE-9983599146,EMOLS-id_313876294	197.297	XPAFYFZXESIPGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014061
NCCC(O)c1cc2CCCc2s1	PC-id_65184957,EMOLS-id_41070809,MCULE-2537510410	197.297	UAAGGNGKNVKFAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014062
NC(CO)Cc1cc2CCCc2s1	EMOLS-id_313838774,MCULE-9792859422	197.297	LNGAQUBVFWUZCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014063
NCC(O)Cc1cc2CCCc2s1	MCULE-8473482803,EMOLS-id_313790924	197.297	XRFJJIJPXZBGDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014064
O=c1c2CCCc2sn1C(C)(C)C	PC-id_20031460,SCHEMBL10552608	197.297	ULIWYDCGCIXJAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014065
OCc1nc2c(s1)CCC2C(C)C	PC-id_58125080,SCHEMBL12862806	197.297	XRLKTVIKCCZOOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014066
OCC1(N)C(C)Cc2c1cc(s2)C	PC-id_112715532	197.297	DSBKOHYHXCZYMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014067
OCC1(N)C(C)Cc2c1sc(c2)C	PC-id_112715531	197.297	KHWVWWUTODDJQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014068
OC[C@H](NC1CCc2c1scc2)C	EMOLS-id_266183736	197.297	QXXPMTLEVWTRHS-YOXFSPIKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014069
OC[C@@H](NC1CCc2c1scc2)C	EMOLS-id_266183778	197.297	QXXPMTLEVWTRHS-JAVCKPHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-014070
OCC(NC1CCc2c1scc2)C	EMOLS-id_304184129	197.297	QXXPMTLEVWTRHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014071
OCCNCc1sc2c(c1)CCC2	EMOLS-id_38138633,PC-id_61207236	197.297	NQEHULVVNSJRCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014072
s1c2c(CCC2)c(c1C(N)CO)C	PC-id_82607100	197.297	VSNSZAWTXNDTTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014073
s1c2c(CCC2)c(CNCCO)c1	PC-id_71670955	197.297	IDCMEMBBKPFXBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014074
s1c2c(CC(N)C2O)c(C(C)C)c1	PC-id_82398685	197.297	CSMJTOJLGMTKIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014075
s1c2c(C(N)(CC2)CO)cc1CC	PC-id_83908100	197.297	HOSOLFYVHVOYPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014076
s1c2C(CN)(O)C(C)Cc2cc1C	PC-id_112715525,MCULE-9187452297	197.297	FRFVPRGSKNAZFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014077
s1c2c(C(O)(CC2)CCN)cc1C	PC-id_83908096	197.297	HIJOUUDNVMYJFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014078
s1c2c(C(O)(CC2)CN)cc1CC	PC-id_83908093	197.297	ZHMXMWHCIBZEIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014079
s1c2C(N)(CCc2cc1CC)CO	PC-id_83908098	197.297	OJTIEHKQEGGDHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014080
s1c2C(O)(CCc2cc1CC)CN	PC-id_83908091	197.297	IOAXCFKZRQHGNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014081
s1c2C(O)(CCc2cc1C)CCN	PC-id_83908095	197.297	XWFPKYONZCZJFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014082
S1Cc2c(c(oc2C1)C(C)C)CN	PC-id_84774586	197.297	LZIUGJGXTWXXQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014083
s1n(CC(C)C)c(=O)c2CCCc12	PC-id_20159716	197.297	GSRBRNNMYSVNPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014084
c12CN(Cc1sc(CNC)c2N)C	MCULE-4299213307,EMOLS-id_330874693	197.3	DIYYEBCJPYEVFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014085
c12CN(Cc1sc(N)c2CNC)C	EMOLS-id_331064872,MCULE-3105578935	197.3	CJUKKRAXZDHWQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014086
CC(C)Cn1nc2CSCc2c1N	EMOLS-id_324398167,PC-id_105451041,MCULE-5101401171	197.3	OBTRAQOGRIQQES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014087
CC(C)(N1Cc2cn(nc2C1)C)S	SCHEMBL20192253,PC-id_134545062	197.3	CXYBXDBGYUCGFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014088
CCN1Cc2c(C1)[nH]nc2C(C)S	SCHEMBL20033637,PC-id_134402297	197.3	SVBXENHLBBTEOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014089
CCNCC1CCc2c1nc(s2)N	EMOLS-id_266184989	197.3	VMEPJLXUSIDNOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014090
CNc1nn(c2c1CSC2)C(C)C	PC-id_112711755	197.3	NZZQLOXGUPNZGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014091
CNc1n(nc2c1CSC2)C(C)C	PC-id_112711764	197.3	FYIRTOVKANTNFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014092
CN(Nc1nc2c(s1)CCC2C)C	EMOLS-id_114626003	197.3	FSHQJTGREAGTKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014093
Nc1n2CCSc2nc1C(C)(C)C	PC-id_96621343	197.3	JHKGBYURAQNIAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014094
NNc1nc2c(s1)C(CC2C)(C)C	EMOLS-id_50854628,PC-id_106664046	197.3	WUJRLVNKICHYBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014095
s1c2CCCc2nc1NCC(N)C	PC-id_83831414	197.3	WROWJIWVMGXDBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014096
s1c2CCCc2nc1NC(CN)C	PC-id_83831415	197.3	MYSKYRASOHVTCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014097
s1c2CN(CC(C)C)Cc2nc1N	PC-id_82194356	197.3	MTPTYSMYFODIDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014098
S1c2n(CC1)cc(n2)CC(CN)C	PC-id_83880208	197.3	MKWXZZXQYWKFMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014099
S1c2n(CC1)c(c(n2)CCNC)C	PC-id_83880205	197.3	SPDHORKPHDNIJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014100
S1c2n(c(C(CCN)C)cn2)CC1	PC-id_82607111	197.3	LBOAJBAALGDVBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014101
S1c2n(c(CC(CN)C)cn2)CC1	PC-id_83880203	197.3	UIAHFZIWNPCTGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014102
S1c2n(c(c(n2)CCCN)C)CC1	PC-id_83880204	197.3	OPDGIMINZGHFMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014103
S1c2n(c(c(n2)CC(N)C)C)CC1	PC-id_83880206	197.3	DYSDKVAIKIXZBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014104
S1c2n(c(c(n2)C(CN)C)C)CC1	PC-id_83880207	197.3	MYRMWDRCDZHAQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014105
S=c1n(c2CCCc2[nH]1)CC(N)C	PC-id_82398672	197.3	WORMOYSKQGKTIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014106
S(c1n(nc2c1CNC2)C(C)C)C	PC-id_83871782	197.3	XLFCWGASWOXJAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014107
CC(Cc1cnc2n1CCS2)(N)C	PC-id_96759337	197.301	FIWFPKAIBWQXMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014108
CC(C)(C)n1nc2c(c1N)CSC2	ChEMBL-DNDi_CHEMBLF1386-0063,PC-id_2049329,SCHEMBL4880657,MCULE-3788707104,CoCoCo_5038514,ZINC22_2454970,EMOLS-id_5496231	197.301	SRQDHVKBHBYCHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014109
CC(C)n1nc2CSCc2c1CN	PC-id_112711767,EMOLS-id_324395357,MCULE-4386732133	197.301	SDIQFQKLMIGDGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014110
CC(Cn1nc(c2c1CSC2)N)C	PC-id_105451037	197.301	SHMYRXYYMLHKFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014111
Nc1nn(c2c1CSC2)C(C)(C)C	PC-id_105451036	197.301	KTPJXVNLRXWRNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014112
NCC1CCc2c1nc(s2)N(C)C	EMOLS-id_96723741	197.301	ADUFRKUMLGZLHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014113
NCc1nn(c2c1CSC2)C(C)C	PC-id_112711758	197.301	KIMXERSZZCOHQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014114
NCCN(c1sc2c(n1)CCC2)C	PC-id_83831411,EMOLS-id_313600942	197.301	STWGWFULIOIYHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014115
s1c2CCCc2nc1NCCCN	PC-id_83831413	197.301	ORZSKEQVYDPKPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014116
s1c2CN(Cc2nc1N)CCCC	PC-id_82194303	197.301	VKTOOBURYCWFNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014117
S1c2n(c(CCCN)c(n2)C)CC1	PC-id_82398658	197.301	QYIXNEHXRXVPRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014118
S1c2n(c(CCNC)c(n2)C)CC1	PC-id_82607110	197.301	OCYXZOOSQRECLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014119
S1c2n(c(CC(N)C)c(n2)C)CC1	PC-id_83880202	197.301	IVRBGFIDNQMTGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014120
S1c2n(c(c(n2)C(C)C)CN)CC1	PC-id_82367571	197.301	LCFSEUPSFBDHLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014121
S1c2n(c(C(N)(C)C)c(n2)C)CC1	PC-id_82398663	197.301	JUJNWRMMBBEFBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014122
CC(=C1Sc2c(N1C)ccs2)C	PC-id_57900735,SCHEMBL13651969	197.32	FVRNBNSGTXKHLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014123
CC(=C1Sc2c(N1C)csc2)C	PC-id_57900734,SCHEMBL13651966	197.32	KLXMOBSFDIHNHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014124
CC(=C1Sc2c(N1C)scc2)C	PC-id_57900736,SCHEMBL13651968	197.32	ZWJMMZNXKHYXIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014125
NC(=S)Cc1cc2CCCc2s1	EMOLS-id_313874246,MCULE-1821738761	197.32	LFXJDPDTAARIHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014126
[NH3+][C@@H](c1sc2c(n1)CCC2)C(C)C	GD-id_ZINC11631793	197.32	PXVMMDIRHNLITA-SECBINFHSA-O	00000010100000000001000010000000000000000000000000000000	25-01-014127
O=C(N1Cc2c(C1)c[nH]n2)C(=C)Cl	MCULE-5850229004,EMOLS-id_97227224	197.622	OIQXWXZOZIBPOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014128
Clc1n(C(C)C)cc2c1CCC2=O	PC-id_83908147	197.661	FJWMVJSWLUMNNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014129
Clc1oc2c(C(NC3CC3)CC2)c1	PC-id_83908145	197.661	WLIJHKNGEOWTTK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-014130
Clc1oc2C(NC3CC3)CCc2c1	PC-id_83908144	197.661	AYJOHGORGMHTCB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-014131
Clc1c2CNCc2nn1CC1CC1	MCULE-5105197240,EMOLS-id_324338543	197.665	VWWGNEPLJYCRTC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-014132
ClC(=C)CNC1CCn2c1ncc2	EMOLS-id_266213928	197.665	DBGKRYPASXGCDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014133
Clc1c2CCCc2sc1CC#N	PC-id_84774706	197.685	CLEIKZMXMAHPCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014134
[B]c1cc2c(s1)C(=O)C(C2=O)(F)F	PC-id_89028507	197.954	MCKVSLGQGDZOCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014135
BrC1=Cc2n(C1=O)ccc2	PC-id_10584090	198.017	BALJHIYNXDAUNY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014136
Brc1cn2c(c1)C=CC2=O	PC-id_57484045	198.017	GLQGAHSKJPNKAW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014137
COC1=C2CN(CC2=CS1)C(=O)[O-]	PC-id_154493512	198.023	GEDIAOBZJORMND-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-014138
CC1=C2C(OC(=O)C2=C(S1)C)OC	PC-id_163868518	198.035	PITAIKWWMMUHFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014139
CCOC(=O)C1=CC2=C(N1)NCS2	PC-id_164001745	198.046	AJGPOOHBTABRKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014140
CN1CC2=C(C1)SC(=N2)C(=O)OC	PC-id_164033930	198.046	VKJVOXXXPNPARL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014141
CC1C(SC2=C1C(=C(S2)C)C)C	PC-id_164132259	198.054	YOUKBUPVOYXBKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014142
Brc1c2c(n(c1)C)CC=C2	PC-id_68461124,SCHEMBL2969660	198.06	XZHWZOHMKXBBLK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014143
Brc1n(c2c(c1)C=CC2)C	SCHEMBL2963236,PC-id_68458878	198.06	SKGVNRQRZFXARF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014144
C1=CC=C(C=C1)N=C2C3=NNN=C3N=N2	PC-id_153976889	198.065	ICOHMLJBPDLYGG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-014145
C1Cc2nc(c(n2C1)[N+](=O)[O-])[N+](=O)[O-]	PC-id_137326475	198.136	BTFLHYZEFYDTAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014146
OC(=O)N1CCn2c1c(cn2)[N+](=O)[O-]	SCHEMBL2524329,PC-id_67438686	198.136	KWMOFTZBDWPYIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014147
O=C1NC(=O)c2c1c(sc2)[N+](=O)[O-]	PC-id_141691284	198.156	CAASLLPFBJBVJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014148
p1c2CCCc2nn1C(=O)OCC	PC-id_21861752	198.159	UPXZIDMOXGJHMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014149
c12cc(nn1CCN2CC(F)F)C#N	MCULE-6569443730,EMOLS-id_317877748	198.173	MIBKTKSKHCLUJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014150
c12n(CCN1CC(F)F)ncc2C#N	EMOLS-id_317862911,MCULE-6302358524	198.173	LGFTXHFGAVAPHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014151
FC(F)Cn1nc2CNCc2c1C#N	EMOLS-id_324354920,MCULE-3573954888	198.173	DCRWHJCZGVPTGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014152
O[C@@H]1[C@H](c2c([C@@H]1O)coc2)CC(=O)O	UNPD49667,NP_64292,PC-id_45098905	198.173	DTHUVZQMVMVXNB-LVSIQRNOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014153
O=C(O)CC1c2cocc2C(O)C1O	CNP0152785,PC-id_25263064	198.173	DTHUVZQMVMVXNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014154
O1c2n(CCC(=O)O)c(=O)[nH]c2CC1	PC-id_82398477	198.176	NLCGAAFICXNTMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014155
o1nc(c2CN(Cc12)CCO)C(=O)O	PC-id_83915931	198.176	XBIICHCCZWKJPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014156
o1[nH]c2c(C(N(C2)C(=O)OC)C)c1=O	PC-id_83847823	198.176	XERHZSSHLNUPFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014157
o1[nH]c2C(N(Cc2c1=O)C(=O)OC)C	PC-id_83847824	198.176	AGQPSPSCDWGBCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014158
OC1c2n(CC1)cc([N+](=O)[O-])c2CO	PC-id_85825165	198.176	RPOQUGORHBVNBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014159
OCCn1nc2c(c1C(=O)O)COC2	PC-id_105451285	198.176	JJAKPBLMCZNVJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014160
OCCn1nc(c2c1COC2)C(=O)O	PC-id_105451286	198.176	LKDBODQYJZOEOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014161
OC(=O)CCn1[nH]c2c(c1=O)COC2	PC-id_105451289	198.176	UATMFBQETWOXSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014162
CC1(Cn2cc(nc2O1)[N+](=O)[O-])NC	PC-id_89437952	198.179	CFABLLZLFMDMOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014163
CCOc1nn2CCNc2c1[N+](=O)[O-]	PC-id_135837414	198.179	HKMXXZSOCQIMMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014164
COC(=O)C1(O)Nc2c(N1C)[nH]cn2	PC-id_24103140,TIMTEC21934	198.179	LKXASAAQUKYGQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014165
n12CCOc1nnc2C(N)CC(=O)O	MCULE-6282942656	198.179	CXKJMXRPSFCDOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014166
O1C(Cn2c1c(nc2C)[N+](=O)[O-])CN	PC-id_84039935	198.179	AWMIYHYNMZTUPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014167
O1C(Cn2c1nc([N+](=O)[O-])c2)(CN)C	PC-id_23081426	198.179	KKADWYSFHHSULS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014168
O1CCn2c(nnc12)CC(N)C(=O)O	PC-id_82398473	198.179	SBFKWNWJLYQQSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014169
OC(c1nn2CCN(c2n1)C)C(=O)O	PC-id_82398474	198.179	FMPBQLPTDWPXDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014170
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)CN	SCHEMBL19544879	198.179	KKADWYSFHHSULS-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014171
c1cncnc1N=C1c2c[nH]cc2N=N1	PC-id_136365033	198.184	QMEIWZCYTVQSSN-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-014172
C(#N)C1=C(c2c(C1=N)c(c([nH]2)C#N)N)N	PC-id_137209970	198.184	NECBWADOFHBDMX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014173
C(#N)c1c([nH]c2c1C(=N)C(=C2C#N)N)N	PC-id_137209990	198.184	PXPCEHOWWAGTFN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014174
c1(C(=O)O)c2CCCc2n(CCF)n1	EMOLS-id_324389713,MCULE-2742889066	198.194	DRENFSQKBIKTQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014175
CCOC(=O)c1cc2C[C@H](F)Cn2n1	PC-id_162349411,EMOLS-id_337164756	198.194	GJQXQZUTPDMUGO-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-014176
Cn1nc2CCCc2c1C(F)C(=O)O	EMOLS-id_259658908,MCULE-9745067668	198.194	NNUROWTYJWVFGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014177
OC(=O)Cc1cc2c(s1)C(=O)CO2	PC-id_97705815	198.196	PKTCHORPQAUVJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014178
OC(=O)Cc1sc2c(c1)C(=O)CO2	PC-id_97705814	198.196	AJCSNKIQVNLROI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014179
OC(=O)Cc1scc2c1C(=O)CO2	PC-id_97705812	198.196	VLHFQCKYPLZPCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014180
OC(=O)Cc1scc2c1OCC2=O	PC-id_97705813	198.196	NECNNEKLZLUMON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014181
s1c(c2CC(O)C(=O)c2c1)C(=O)O	PC-id_82607221	198.196	RCABNBQVOXBKLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014182
OC(c1c2[n+]([nH]c1)CCN2)(C)C(=O)O	PC-id_82398461	198.199	OUQXWOGRAMITMV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-014183
S1CCn2c1nc(c2C=O)C(=O)O	PC-id_82367489	198.199	RTTCBCIKRDAJQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014184
s1nc(c2N(CC(=O)c12)C)C(=O)O	PC-id_82398468	198.199	QEMHRKVPZWJCSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014185
s1nc(c2N(C(=O)Cc12)C)C(=O)O	PC-id_82398463	198.199	FPZRIXKSBPJNNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014186
S1(=O)(=O)CCn2nc(nc12)CC#N	PC-id_84774798	198.202	FPLWUQJXNWDNOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014187
S1(=O)(=O)CCn2nc(nc12)C[N+]#[C-]	PC-id_83485053	198.202	WNXOARRRYNKIJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014188
O(C1Cc2[n+](noc2[O-])C1)C(C)(C)C	PC-id_67439723,SCHEMBL2527199	198.219	RZFUBHJRJUXBLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014189
CC1Cc2c(C1=O)c(c(s2)C)P	PC-id_142073120	198.222	HACHMVIANVRITR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014190
CC1Cc2c(C1=O)c(c(s2)P)C	PC-id_142073107	198.222	UVFVORPPIOSQLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014191
CN(CCn1nc(c2c1OCO2)N)C	PC-id_96621134	198.222	VNCYYRSTWMPRLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014192
O=c1n2n(CCC2)c(NCCO)c1N	SCHEMBL180821,PC-id_23104187	198.222	XVTHDKDMVFPFOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014193
O=c1n2n(C(N)CC2)c(c1N)CCO	PC-id_68566056,SCHEMBL3248976	198.222	VLVXLRWMFLTRDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014194
ON1C(c2n(O)nnc2C1(C)C)(C)C	PC-id_24815700	198.222	VAYRFDHJXZNADQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014195
CC1CCc2c1c(CO)nn2CCF	EMOLS-id_331014130,MCULE-3508294920	198.237	LXEQVAWOWFEYMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014196
CC1CCc2nn(CCF)c(CO)c12	MCULE-6297291340,EMOLS-id_330994099	198.237	BVJXMBWUADJRNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014197
OCc1nn(c2c1C(C)(F)CC2)CC	PC-id_105451484	198.237	MRJIQYPILQHTBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014198
OCc1nn(c2c1C(F)CC2)C(C)C	PC-id_105451485	198.237	VYSRLDWXZSWKAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014199
c1(C(=O)O)c2CCCc2sc1OC	MCULE-9863871047,EMOLS-id_331063077	198.239	HQMJKYAZEROANN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014200
c1(C(=O)OCC)csc2COCc12	MCULE-7623580470,EMOLS-id_331061037	198.239	UWNKJUZXOPILQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014201
c1(C(=O)OC)c(O)c2c(CCC2)s1	PC-id_54738953,ZINC22_96029620,EMOLS-id_48841206,SCHEMBL9138216,MCULE-5077732305	198.239	ACANMVQHXWYSRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014202
c1(C(=O)O)c(OC)c2c(CCC2)s1	EMOLS-id_49180030,ZINC22_84227913,MCULE-3518995025,PC-id_83668274	198.239	RUBXZKOTBVFIJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014203
CC1Cc2c(C1(O)C(=O)O)ccs2	PC-id_112715551	198.239	LAGLSXDKNNQEAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014204
CC1Cc2c(C1(O)C(=O)O)csc2	PC-id_112715550	198.239	YKWQDRBJYLDHNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014205
CC1Cc2c(C1(O)C(=O)O)scc2	PC-id_112715549	198.239	ZLQVENVYPZSEIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014206
CCOC(=O)c1cc2COCc2s1	SCHEMBL16418576,PC-id_117836115,EMOLS-id_337930457	198.239	OUKUYRAWKZTJNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014207
CCOC(=O)c1scc2COCc12	PC-id_138958332,MCULE-1620594045,EMOLS-id_320441892	198.239	QWRMPPMGUUKJDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014208
COC(=O)c1cc2C(O)CCc2s1	EMOLS-id_337173720	198.239	JFFLOOGLLMNPIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014209
COC(=O)c1csc2c1C(C)OC2	EMOLS-id_114631645,PC-id_114748228	198.239	ZUPYCZXUDYWLFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014210
OC(C(=O)O)c1cc2CCCc2s1	PC-id_82398339,EMOLS-id_313814721,MCULE-1318983804	198.239	LRXWYIZVQRAOHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014211
OC(=O)c1cc2c(s1)C(OC2)(C)C	EMOLS-id_96439800	198.239	HROYSTFXSYIBBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014212
OC(=O)c1csc2c1C(C)(C)OC2	EMOLS-id_96828253	198.239	HQQQYPGHJNNYRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014213
OC(=O)COc1cc2CCCc2s1	MCULE-1700808988,EMOLS-id_313873991	198.239	YQCJGCXRQHDNDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014214
s1c2CC(C(O)c2cc1)CC(=O)O	PC-id_82398336	198.239	BLRBDCOEFJAWTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014215
s1c2CCC(OC)(c2cc1)C(=O)O	PC-id_83831517	198.239	VISJAMWASKSKLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014216
s1c2c(C(O)(CC2)CC(=O)O)cc1	PC-id_82398335	198.239	YGYVHGBPVPKXCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014217
s1c2c(C(O)(CC2)C(=O)O)cc1C	PC-id_83908159	198.239	BATQKKMIIDYPAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014218
s1c2C(O)(CCc2cc1)CC(=O)O	PC-id_83908155	198.239	DBGGPGCNRAQKSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014219
s1c2C(O)(CCc2cc1C)C(=O)O	PC-id_83908158	198.239	RKYZNYDGDXOXNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014220
s1c(c2c(COC2)c1)CCC(=O)O	PC-id_82398341	198.239	ZHQLHSSEJSCTMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014221
s1c(c2CCOc2c1)CCC(=O)O	PC-id_82398342	198.239	SRPQDHQLXWXCBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014222
S1Cc2c(c(oc2C1)C)CC(=O)O	PC-id_84774916	198.239	XSPGHOJSDHDTML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014223
s1cc2C(O)(CCc2c1)CC(=O)O	PC-id_83908156	198.239	BSSWRHIIMVORCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014224
S1(=O)(=O)C(c2c(C1)coc2)CC=C	PC-id_85626770	198.239	RRXXAQKRHXHLQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014225
S(c1oc(c2CCCc12)C(=O)O)C	PC-id_84049113	198.239	NRUZYPPQMBTZGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014226
c12CNCc1nn(CCF)c2CNC	EMOLS-id_324352097,MCULE-6439481040	198.241	AEUWUUWSLZHTHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014227
c12c(CCC1C(=O)OC)sc(N)n2	EMOLS-id_329977630,MCULE-8788125401,PC-id_82031070	198.242	KIQDWOHFEUQIGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014228
c12CN(Cc1sc(N)c2C(=O)O)C	EMOLS-id_331066407,MCULE-5288434820	198.242	XTJIHKRTYCXUSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014229
c12sc(nc1CCC2C(=O)OC)N	EMOLS-id_316755495,MCULE-9154421667	198.242	JQRJYVIPXXHZHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014230
c1(c(c2c(CNC2)s1)N)C(=O)OC	ZINC22_91692281,PC-id_71742503,MCULE-6789773376,EMOLS-id_300680868	198.242	VOHLYLWJRBHSRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014231
c1(CC(=O)O)n(C)nc2CSCc12	PC-id_112711768,MCULE-2375065094	198.242	VGRBCEUSSFZUCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014232
c1(C(=O)N)c2CNCc2sc1OC	EMOLS-id_331067179,MCULE-3140478603	198.242	FKCHTUQQOPBIGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014233
c1(C(=O)NC)c2COCc2sc1N	EMOLS-id_331061295,MCULE-7105522534	198.242	LXPSDRMXGHRCRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014234
c1(C(=O)OC)c2CNCc2sc1N	EMOLS-id_331064108,MCULE-2199720045	198.242	QNMGBMSZLLPQJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014235
c1(C(=O)OC)c2CSCc2nn1C	EMOLS-id_324396634,MCULE-3510720537	198.242	OCAWTHCFSSQHNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014236
c1(C(=O)OCC)cn2c(SCC2)n1	PC-id_18183084,SCHEMBL7180163,EMOLS-id_81817336,ZINC22_5939559,MCULE-7154970500	198.242	DCNDODRWJORREI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014237
c1(C(=O)O)sc2CN(Cc2c1N)C	EMOLS-id_330872901,MCULE-4609601772	198.242	TTZJYVRNOFJUAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014238
c1(N(=O)=O)c2CCCc2sc1CN	MCULE-5994316690,EMOLS-id_330871617	198.242	BQCFKZILCKAYSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014239
c1(snc2CCCc12)NC(=O)OC	PC-id_54774358,MCULE-3470217702	198.242	GLHHRRSLESEAJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014240
CCC1CSc2nc(cn12)C(=O)O	PC-id_88316367	198.242	RWTUYBIHIPFQJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014241
CCn1nc2c(c1C(=O)O)CSC2	PC-id_105451496	198.242	WYFNMCDXMZNUDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014242
CCn1nc(c2c1CSC2)C(=O)O	PC-id_105451495	198.242	FWPUJJOSCWSGMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014243
CCOC(=O)c1c2CSCc2[nH]n1	EMOLS-id_50369102,PC-id_69252593,ZINC22_204395782,MCULE-8794305299,SCHEMBL4948518,EMOLS-id_289944598	198.242	PFPLEZDQDVYKCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014244
CCOC(=O)C1Cc2c(N1)scn2	PC-id_68541762,SCHEMBL3185310	198.242	HCVUTSLVSHKECG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014245
CCOC(=O)c1cc2n(CCS2)n1	PC-id_21057704,MCULE-1696045011,SCHEMBL3546416	198.242	BFWQGQXCGLKWIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014246
CCOC(=O)c1cn2c(n1)CCS2	SCHEMBL6994940,PC-id_57072741	198.242	MTUYLHMQWOBORH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014247
CCOC(=O)C1Cn2c(S1)ncc2	PC-id_141210771	198.242	WOFRHNJAVDRJMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014248
CCOC(=O)c1cnc2n1SCC2	SCHEMBL6991928,PC-id_57114562	198.242	AWRSSGCKUZDBLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014249
CCOC(=O)c1cnn2CCSc12	PC-id_21057710,MCULE-1851043289,SCHEMBL3554429	198.242	JZKAIWZLTUZAKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014250
CCOC(=O)c1nn2c(c1)CSC2	SCHEMBL2927030,PC-id_21057705	198.242	LHPDOGQJGFQFFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014251
CCOC(=O)n1cc2CSCc2n1	PC-id_91519670	198.242	NVPSBYASJCQAOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014252
CC(=O)OCc1cn2c(n1)SCC2	SCHEMBL7186322,PC-id_18183100	198.242	LMBVCENUCOPGGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014253
CNc1nc2c(s1)CCC2C(=O)O	PC-id_104287225	198.242	YCIVSEVQHPHADO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014254
CNC(=O)n1sc2c(c1=O)CCC2	SCHEMBL10736995,PC-id_13035400	198.242	HKGWBXFYDYGNDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014255
C(=O)(CCc1cn2CCSc2n1)O	MCULE-2941120066,PC-id_4912967,EMOLS-id_2584661,ZINC22_4343244	198.242	GTQILRGACQTHAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014256
COC(=O)C1Cc2nc(N)sc2C1	EMOLS-id_50379837,MCULE-8984027553,PC-id_102568743	198.242	WMJDIINUHXPDMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014257
COC(=O)[C@H]1Cc2nc(N)sc2C1	PC-id_99996046,ZINC22_217900665	198.242	WMJDIINUHXPDMK-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014258
COC(=O)[C@@H]1Cc2nc(N)sc2C1	PC-id_99996050,ZINC22_217900735	198.242	WMJDIINUHXPDMK-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014259
COC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_114631224,PC-id_115571632	198.242	IGVGWSSEPLKXFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014260
CSC1CCc2c1n[nH]c2C(=O)O	CHEMBL393083,PC-id_44441319	198.242	AEBPLXAFDITOQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014261
n1cc(C(=O)OCC)c2n1CSC2	MCULE-9540629968,SCHEMBL2923165,PC-id_21057709	198.242	XJRGUTARDWMARO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014262
NC(=O)c1c(N)sc2c1[C@@H](C)OC2	PC-id_69446167,SCHEMBL5449503	198.242	KEXVGVIAUPPPNV-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014263
OC(=O)CSc1[nH]c2c(n1)CCC2	PC-id_80130405,EMOLS-id_107476459	198.242	PQKSMDLZLOKRHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014264
s1c2CCCc2nc1NCC(=O)O	PC-id_83831518	198.242	BGLCJVSWUPAWCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014265
s1c2CCC(c2nc1N)CC(=O)O	PC-id_83880315	198.242	ABXMYAWVTZHQJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014266
s1c2C(CCc2nc1N)CC(=O)O	PC-id_83880317	198.242	GHLDSEUMUFBHLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014267
s1c2c(C(OC2)C)c(c1N)C(=O)N	PC-id_73949293	198.242	KEXVGVIAUPPPNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014268
s1c2c(C(OC2)(N)C)c(c1)C(=O)N	PC-id_73948289	198.242	JTPUXFRQJJSJSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014269
s1c2C(N(Cc2nc1C(=O)O)C)C	PC-id_84014799	198.242	FWTUQSAMJNNOJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014270
S1c2n(CC1)c(c(n2)C)CC(=O)O	PC-id_82398332	198.242	GTBILBIYTWAEFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014271
S1c2n(CC1)c(c(n2)CC(=O)O)C	PC-id_82398331	198.242	WXKHEKOJYIKNIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014272
S1c2n(c(C(C)C(=O)O)cn2)CC1	PC-id_82607275	198.242	XYJVRMBTIXNXNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014273
S1c2n(CCC(=O)O)cnc2CC1	PC-id_82398321	198.242	VBPKWGFNCVFZKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014274
S1c2n(nc(CCC(=O)O)c2)CC1	PC-id_82658114	198.242	HQTZVXXHCLCYGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014275
S1Cc2c(n(nc2CC(=O)O)C)C1	PC-id_83871362	198.242	LJTZHIOKXAQQJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014276
S1Cc2c(noc2NC(=O)CC)C1	PC-id_49719015	198.242	LGDQXKHMHAIFBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014277
Brc1oc2CCC(N)c2c1	PC-id_83908455	202.049	SGISPONJURMBBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014894
S1Cc2n(C(C)C(=O)O)cnc2C1	PC-id_82398322	198.242	BBFWOVHRVUIRBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014278
S1CCn2c1ncc2C(=O)OCC	PC-id_85740031	198.242	RGWQZQSCROUASQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014279
S1CCn2c(CCC(=O)O)cnc12	PC-id_82607276	198.242	HFYNJOMPZDZQFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014280
N#CC(=C1C=Cc2c1sc(c2)C)C#N	SCHEMBL16977300,PC-id_118282158	198.244	WYLHKBNIYMEOCD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014281
c1(NC(=O)CC)nnc2SCCn12	EMOLS-id_16349317,PC-id_16031306,MCULE-9570172915,CoCoCo_2590448,CHEMBL1552057,ChEMBL-DNDi_CHEMBLF2079-0002	198.245	CPNOHUXUSCEBDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014282
CCSc1nn2c(c1N)N=C(C2)O	SCHEMBL6282824,PC-id_136485568	198.245	PDBUMUOARMLYIS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014283
S1c2n(CC1)c(c(n2)C(=NO)N)C	PC-id_83880324	198.245	ADSHYTMRODYWEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014284
S1CCn2c1nc(c2)C/C(=N/O)/N	PC-id_83880325	198.245	AHBFDEFKUJTLRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014285
S1CCn2c(C/C(=N/O)/N)cnc12	PC-id_83880323	198.245	IDZYWEIMNBCXDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014286
S1CCn2c(c(nc12)C)C(=NO)N	PC-id_83880322	198.245	SJNVUCHWJUDEHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014287
S1CCn2nc(nc12)C(=O)CNC	PC-id_82607282	198.245	RVDYQVIBURODJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014288
n12CCSc1nnc2C(=O)CNC	MCULE-4229522649	198.246	ILIVPVGEMMGSBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014289
s1c2CN(Cc2nc1N)CC(=O)N	PC-id_82194244	198.246	XKIMYRZLZXXUQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014290
S1C(C(=O)c2c1sc(c2)C=O)C	PC-id_82398288	198.262	XTJVYNYNMQFKCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014291
c1ccc(cc1)C[C@@H]1CCn2c1ncc2	PC-id_102338625	198.264	QVKXVBSPPJCXAC-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014292
c1ccc(CN2Cc3c[nH]cc3C2)cc1	PC-id_33728069,EMOLS-id_42783647,ZINC22_26461027,MCULE-9965732139	198.264	AOLIWLMSYSVPHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-014293
CC1C(=C(c2cncn12)C=C)/C=CC=C	SCHEMBL20646441,PC-id_137412968	198.264	AFTOGLHNMRZXIX-SREVYHEPSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014294
C(c1n[nH]c2CCCc12)c1ccccc1	PC-id_71425471,EMOLS-id_109786462	198.264	HVEFKMAKJAYCDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014295
n12C(CCc1ncc2)Cc1ccccc1	PC-id_12764882	198.264	XGVFTELWPKVMFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014296
n1(nc2c(CCC2)c1)Cc1ccccc1	PC-id_24976398	198.264	MSDDWTMBHODEHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014297
n1(ncc2c1CCC2)Cc1ccccc1	PC-id_86033365	198.264	KXGQDHBOGFRMDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014298
S(C1Cc2n(nc[n+]2C)C1)C(=O)C	PC-id_9974965	198.265	KEXMXCUEBSIYQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014299
c12c([nH]c(c1C(=NC2=S)N)S)N	PC-id_137242959	198.269	HCOLCNIDJUXATL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014300
C(C#N)N1CCn2c1nsc2=S	PC-id_24204736,NSC732632	198.269	XZBKCMAFXBTITL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014301
COCC(c1sc2c(c1)CCC2)O	PC-id_115818991,EMOLS-id_194468414	198.282	SKWZTPPDJOOQLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014302
c12CN(Cc1sc(OC)c2CN)C	EMOLS-id_331064615,MCULE-7790058155	198.285	QBCBNVXEJSTQLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014303
c12CSCc1nn(CCC)c2CO	EMOLS-id_324397404,MCULE-6551823620	198.285	STQYWNQWRAVAKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014304
c1(CNC)c2CNCc2sc1OC	EMOLS-id_331063340,MCULE-1048372105	198.285	XTADKFCUGKTMOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014305
CC(c1sc2c(n1)C(OC2)(C)C)N	EMOLS-id_96827867	198.285	JKEPYRDZIMKWTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014306
CCCCn1c2COCc2sc1=N	PC-id_68772367,SCHEMBL3750688	198.285	RWYHCLVBVUSLAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014307
CCCCn1nc2c(c1O)CSC2	EMOLS-id_107686330	198.285	CNEBCZMTRDEWKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014308
CC(Cn1c(=N)sc2c1CCC2)O	EMOLS-id_114633480	198.285	UMYMTNJHQNNCHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014309
CC(Cn1nc2c(c1O)CSC2)C	EMOLS-id_114633993	198.285	DGUBTLGRQJAORY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014310
CCC(n1nc2c(c1O)CSC2)C	EMOLS-id_114633996	198.285	RBQWASJNTBZKCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014311
CC(Cn1[nH]c(=O)c2c1CSC2)C	PC-id_105451713	198.285	WEUDSENEEGHVLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014312
CC(CSc1[nH]c2c(n1)CCC2)O	EMOLS-id_194661019	198.285	ZISHIPNWWJXQSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014313
C[C@H](c1sc2c(n1)C(OC2)(C)C)N	MCULE-4120176103	198.285	JKEPYRDZIMKWTO-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014314
C[C@@H](c1sc2c(n1)C(OC2)(C)C)N	MCULE-9527926376	198.285	JKEPYRDZIMKWTO-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014315
CC(n1[nH]c(=O)c2c1CSC2)(C)C	PC-id_105451712	198.285	RWLXFKMHTQKXDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014316
CCNc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96828067	198.285	ZSPRSFRQAJNHRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014317
CCNCC1CCc2c1nc(s2)O	EMOLS-id_194569653	198.285	XXNMMYFNDWDTDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014318
CNCC1CCc2c1nc(s2)CO	EMOLS-id_194493425	198.285	WFJZHNRIUWGTSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014319
CNCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96827915	198.285	YVEFBCHMTVOBES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014320
COCc1nc2c(s1)CCC2CN	EMOLS-id_194671630	198.285	FEHNMSXPQZKYBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014321
COCC(c1sc2c(n1)CCC2)N	EMOLS-id_194541188	198.285	RNXWURNKCMDAEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014322
COCCn1c(=N)sc2c1CCC2	PC-id_69293533,SCHEMBL5049693	198.285	GVEFZCYIAQYHSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014323
n1c(C(C)C)c(n2CCSc12)CO	PC-id_82367515,MCULE-4894343362	198.285	OFFIWXDRPRTXDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014324
n1c(CNCCO)sc2CCCc12	MCULE-5044346442,EMOLS-id_313626349,PC-id_46784920	198.285	SJBWSZNRSWICLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014325
Nc1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79006302,EMOLS-id_96373610,SCHEMBL3387019	198.285	BZHDVAIQBRNWHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014326
NCCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96164787	198.285	MCNKNYNJMKWPFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014327
NCCC(c1sc2c(n1)CCC2)O	PC-id_82670661,EMOLS-id_313546994	198.285	FZKVZZLJGWTCRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014328
Oc1c2CSCc2nn1C(C)(C)C	EMOLS-id_107688478	198.285	VKDHZKNLRQUVBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014329
OCCCn1c(=N)sc2c1CCC2	EMOLS-id_194526089	198.285	ZYFHGTOHXXNLLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014330
s1c2CCCc2nc1CC(O)CN	PC-id_82276914	198.285	YOHLPRTXLAXNAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014331
s1c2CCCc2nc1[C@H](N)[C@@H](O)C	PC-id_82670660	198.285	RPCWOMKKFWTJIB-YLWLKBPMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014332
s1c2CCCc2nc1[C@@H](N)COC	PC-id_82670657	198.285	RNXWURNKCMDAEP-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-014333
s1c2CCCc2nc1[C@@H](O)CCN	PC-id_82670662	198.285	FZKVZZLJGWTCRL-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014334
s1c2CCCc2nc1NCCOC	PC-id_62941454	198.285	ARSZYHDDTFITTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014335
s1c2c(n(CCCN)c1=O)CCC2	PC-id_82505856	198.285	QSPFDMXTZJPPRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014336
S1c2n(c(CC(O)C)c(n2)C)CC1	PC-id_83675145	198.285	DZPLTRQCMMXGLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014337
S1Cc2c(nn(C(C)C)c2OC)C1	PC-id_59050129	198.285	PDNDUYLIBZISCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014338
S1Cc2[nH]n(C(CC)C)c(=O)c2C1	PC-id_12766049	198.285	MTBVVRPLTIFJCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014339
S1Cc2[nH]n(C(C)(C)C)c(=O)c2C1	PC-id_83195937	198.285	SDUMCXCUOLPFHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014340
S1Cc2[nH]n(CC(C)C)c(=O)c2C1	PC-id_83196254	198.285	GLZTUPZYNWJVEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014341
S1Cc2[nH]n(CCCC)c(=O)c2C1	PC-id_83196670	198.285	KSXCNRZMZQRNSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014342
Sc1nc2c([nH]1)C(OC2(C)C)(C)C	EMOLS-id_114633908,PC-id_80122520	198.285	IFCIKEPNGQWTBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014343
CCC1NNc2cc(nn12)SCC	PC-id_136593523	198.289	KIRWRSTZIAFSAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014344
CC(Cc1nnc2n1CCS2)(N)C	PC-id_96759899	198.289	KYRASFPTXKTGKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014345
CN(CCN1Cc2c(C1)ncs2)N	PC-id_138620454,SCHEMBL20985216	198.289	BXEWFINBZIBWOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014346
s1c2CN(C(CN)C)Cc2nc1N	PC-id_82505871	198.289	LHMMMPWZVTTXQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014347
S1CCn2c(nnc12)C(N)CCC	PC-id_82398117	198.289	DBXYEXGAWJACPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014348
S=c1n(c2NCCc2[nH]1)C(CN)C	PC-id_82398115	198.289	YYNBZOTZHIOSJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014349
CCCC1Sc2c(C1=O)ccs2	PC-id_15728285,SCHEMBL9652919	198.305	JYUGNYCAJIJDFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014350
O=CC1Sc2c(C1C)c(cs2)C	SCHEMBL20861904,PC-id_138510657	198.305	KLZBYHXIAKKBKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014351
C[C]1c2c([C](S1)C(C)C)nsn2	PC-id_89318013,SCHEMBL14377202	198.308	CDSQOTSZZBWKJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014352
CC(=C1Sc2c(N1C)ncs2)C	PC-id_57900639,SCHEMBL13651979	198.308	ZTHIHPUIBPVIST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014353
CC(=C1Sc2c(N1C)scn2)C	PC-id_57900719,SCHEMBL13651978	198.308	WMKKUBYMHAPNFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014354
s1c2c(CCC2)c(c1N)C(=S)N	PC-id_20623640	198.308	YMFIKTYWVAXAPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014355
Cc1cc2c(s1)CC(C2S)(C)C	PC-id_134355214,SCHEMBL19981580	198.348	FEUHNMZDSWUGAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014356
CC1Cc2c(S1)c(cs2)C(C)C	PC-id_68329138,SCHEMBL12617382	198.348	SHJYMRLHHVEXDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014357
Cc1cc2c(s1)CC(S2)C(C)C	SCHEMBL14791551,PC-id_89449960	198.348	WEBHGNUZJHDTJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014358
CCc1csc2c1SC(C2)(C)C	PC-id_68081823,SCHEMBL10264257	198.348	MWFYNGVKTDEJHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014359
SCCCc1cc2CCCc2s1	MCULE-7947626788,EMOLS-id_313875526	198.348	HLJZDTGQEZWZJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014360
C[Si](c1oc2c(c1)CSC2)(C)C	PC-id_58027911,SCHEMBL4547879	198.357	GAEPEVNWSHHLCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014361
c1(C(=O)Cl)c2CCCc2oc1CC	PC-id_83610268,MCULE-6470228571	198.646	WTEMASMAMOONMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014362
ClC(=O)Cc1c2CCCc2oc1C	PC-id_83610191	198.646	LCBANEKMKFQBLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014363
CC(=O)Cc1c(Cl)nc2n1CCC2	PC-id_112545861	198.649	CYWSLTBDZVDYRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014364
CC(=O)Cc1nc2n(c1Cl)CCC2	PC-id_112545862	198.649	YULBPVVBMRXALS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014365
ClC(=O)c1n(nc2C(CCc12)C)C	PC-id_45081775	198.649	KWKXPNYQEVMPFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014366
ClC(=O)c1n(nc2CC(Cc12)C)C	PC-id_45081779	198.649	RPXGMVDFTDITLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014367
c12CN(Cc1sc(C#N)c2Cl)C	MCULE-3750466813,EMOLS-id_330871111	198.673	UCWSHXDZHLQYDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014368
c1(C#N)c(Cl)sc2CN(C)Cc12	MCULE-6335585570,EMOLS-id_331065897	198.673	WYTOKPZHTVHNAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014369
c1(CCl)c2CCCc2oc1C(C)C	PC-id_83610288,MCULE-9710357467	198.689	QHHJCBBHONYHSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014370
ClCc1c2CCCc2oc1CCC	PC-id_83610360	198.689	JLBIYFKKAXWVNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014371
c12CCC(C)c1c(nn2C(C)C)Cl	MCULE-4688849812,EMOLS-id_330974205	198.692	WITQJUOSNYADKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014372
c1(Cl)c2C(C)CCc2nn1C(C)C	EMOLS-id_330960574,MCULE-8999849083	198.692	FNQJAPGHEYZOAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014373
CCC(n1nc2c(c1Cl)CCC2)C	EMOLS-id_41631136,PC-id_66022637	198.692	QYBYRIIBDCWXSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014374
CC(C)n1nc2CCCc2c1CCl	EMOLS-id_70118672,PC-id_121214349,MCULE-6288348224	198.692	WSRMXIOWMONTBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014375
CCn1nc2CCC(C)c2c1CCl	EMOLS-id_331013812,MCULE-8909164007	198.692	FYSFZNODAMVINK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014376
Clc1n(cc2C(CCc12)CNC)C	PC-id_83908223	198.692	ZRWWPEPMECODPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014377
Clc1n(cc2C(N)CCc12)C(C)C	PC-id_83908227	198.692	COPGEUNWPJUMHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014378
Clc1n(nc2c1CCC2)C(C)(C)C	PC-id_66022196	198.692	WASUBTMHFGVQKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014379
c12C(C)CCc1n(nc2Cl)CCC	MCULE-6253440110,EMOLS-id_330975741	198.693	PNPUXMFRYYYVDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014380
c12C(C)CCc1nn(CCC)c2Cl	MCULE-5203076229,EMOLS-id_330958015	198.693	FMFORHANNLGGIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014381
CC(C1CCc2c1cn(c2Cl)C)N	PC-id_112715560	198.693	NULVJOOPCOYRJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014382
CC(C1CCc2c1c[nH]c2Cl)CN	PC-id_112715557	198.693	HHLNRAKNPRQNBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014383
CC(C1C(C)Cc2c1c[nH]c2Cl)N	PC-id_112715559	198.693	TYBOXYXGKHERBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014384
CCC(c1c(Cl)nc2n1CCC2)C	SCHEMBL19054132	198.693	UKIZBAKSFPFZLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014385
CC(C)(C)n1nc(Cl)c2CCCc12	MCULE-4827266163,EMOLS-id_324389968	198.693	YXXPWBQSOWJZAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014386
CC(Cn1nc2c(c1Cl)CCC2)C	PC-id_66020340,EMOLS-id_41630408	198.693	XLXRSNANVICFNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014387
CCn1nc(CCl)c2C(C)CCc12	EMOLS-id_331028485,MCULE-4224495587	198.693	HKTJUQLFDYLZSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014388
Clc1n(cc2C(CCc12)CCN)C	PC-id_83908221	198.693	MMKWSKXNMZGKBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014389
Clc1n(nc2c1CCC2)CCCC	PC-id_66021190	198.693	JFVWPPYAVBKFSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014390
ClCCCCc1n[nH]c2c1CCC2	PC-id_12002558	198.693	KTRCHXIQSPTAFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014391
CNC1C(C)Cc2c1cn(c2Cl)C	PC-id_112715565	198.693	IMRBEHQNYNBPJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014392
CNCC1C(C)Cc2c1c[nH]c2Cl	PC-id_112715562	198.693	COQFESRLLKZVPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014393
NCC1C(C)Cc2c1cn(c2Cl)C	PC-id_112715563	198.693	WYFCXBLVDQTCGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014394
NCCC1C(C)Cc2c1c[nH]c2Cl	PC-id_112715558	198.693	DAALRDZFUYDTFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014395
Clc1sc2CC(=Cc2c1)C(C)C	PC-id_60125892	198.712	STIXOPOAFWXCKC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014396
C1CC(=O)N2C1=CC=C2Br	PC-id_165123122	198.963	UPGIJLVIKLDWMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014397
CC(=O)C1CCC2=C1NC(=S)S2	PC-id_163720770	199.013	KRJMEYHIUQOXQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014398
CN1CC2=CSC(=C2C1=O)SC	PC-id_154138105	199.013	RSDGHTAVXFTJCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014399
C1COC2=C(C(=NN21)C(=O)O)[N+](=O)[O-]	EMOLS-id_316792107,MCULE-7531620940,PC-id_154881947	199.023	MFHCPSPDHYWTKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014400
Brc1c2c(oc1)CC=C2C	SCHEMBL2965001,PC-id_68459502	199.045	OLARHEWGJBXMSZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014401
Brc1c2c(oc1)CC(=C2)C	SCHEMBL2967266,PC-id_68460269	199.045	ADCZFRKUDJGWPV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014402
Brc1c2c(oc1)C(C=C2)C	SCHEMBL2967837,PC-id_68460440	199.045	BHZZIPGSFKPWIH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014403
Brc1cc2c(o1)C(C=C2)C	PC-id_68462728,SCHEMBL2973950	199.045	NFFMWNXLLWTARX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014404
Brc1oc2c(c1)C(=CC2)C	SCHEMBL2968047,PC-id_68460514	199.045	WFAIAARIUPMYPM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014405
Brc1oc2CC(=Cc2c1)C	PC-id_68459911,SCHEMBL2966180	199.045	DPZYICZQDVAZGM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014406
Brc1oc(c2CC=Cc12)C	PC-id_68458150,SCHEMBL2961120	199.045	XYGCETNRXAVXMA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014407
Brc1nn(c2CC=Cc12)C	PC-id_68460143,SCHEMBL2966863	199.048	ZAAVKEJXSCNZJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014408
CN1CC2=C(C1)SC(=[NH+]2)C(=O)OC	PC-id_164033929	199.054	VKJVOXXXPNPARL-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-014409
COC[C@@H]1CN2C(=C(C=N2)[N+](=O)[O-])O1	PC-id_160702002	199.059	MBMMCAWOLUZRAW-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014410
C1C2=C(C=NN2CC1(F)F)CN=[N+]=[N-]	PC-id_162349413	199.067	WJILFIUXRQVZOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014411
C1C2=CC(=NN2CC1(F)F)CN=[N+]=[N-]	PC-id_162349421	199.067	IJDLYYSUQKPIKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014412
COCC1CN2C(=C(C=N2)NOC)O1	PC-id_155110715	199.096	CZISTJQLSYTBSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014413
[se]1c2CC(C(=O)c2cc1)C	PC-id_45098959	199.109	VKFBGETXHHEBKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014414
C1Oc2cn(c(c2O1)C(=O)O)C(=O)O	PC-id_91305412	199.118	MYOZYANUJMPBBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014415
O1C(Cn2c1c(nc2)[N+](=O)[O-])C(=O)O	PC-id_84039990	199.121	OUMNDEATAJSKLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014416
O1C(Cn2c1nc([N+](=O)[O-])c2)C(=O)O	PC-id_84039991	199.121	WVNKMEQDKPNWKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014417
[O-][N+](=O)c1scc2C(=O)OC(=O)c12	PC-id_59765257,EMOLS-id_317466465,MCULE-6621447397,SCHEMBL2990033	199.141	XYLLPTJEAUKCAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014418
Cc1[se]c(c2c1CCC2)C	PC-id_140781609	199.152	IAFNGSNJZLHCOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014419
C(C1(C)Cn2cc(N(=O)=O)nc2O1)O	MCULE-1227857886,PC-id_23081240,MCULE-6348840113,EMOLS-id_17253154,SCHEMBL1229290	199.164	UYEAVRLFLZMBSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014420
C[C@]1(CO)Cn2cc(nc2O1)[N+](=O)[O-]	PC-id_26596862,SCHEMBL5545216,EMOLS-id_31526513,MCULE-6712766187,MCULE-6772067540,ZINC22_15442561	199.164	UYEAVRLFLZMBSY-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014421
C[C@@]1(CO)Cn2cc([N+](=O)[O-])nc2O1	EMOLS-id_207110544,MCULE-6837802577,PC-id_26596859,MCULE-2209128896,ZINC22_15442559	199.164	UYEAVRLFLZMBSY-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014422
COCC1Cn2cc([N+](=O)[O-])nc2O1	CHEMBL158289,PC-id_12570030	199.164	WPUARJMRQQUYAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014423
COCC1Cn2c([N+](=O)[O-])cnc2O1	PC-id_12570032,CHEMBL346595	199.164	UZBBKVZRCYDEIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014424
COC(=O)c1nnn2c1[C@H](O)[C@H](C2)O	PC-id_101573674	199.164	QNVHFIWUKVXKER-BBIVZNJYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014425
O1C(Cn2c1nc([N+](=O)[O-])c2)CCO	SCHEMBL5541985,PC-id_23081302	199.164	ZPIKFTMQSLBGGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014426
O1C(Cn2c1nc([N+](=O)[O-])c2)C(O)C	SCHEMBL5546644,PC-id_69482522	199.164	YUJBWACFGOZJJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014427
O=C1NC(=O)c2c1c(P)sc2C	PC-id_145022963	199.167	OJKVBCGFEHHIFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014428
c1(C(=O)O)c2CNCc2nn1CCF	EMOLS-id_324342375,MCULE-8327015397	199.182	HNJSYPOTNVTTPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014429
CCC1CC(c2n1nc(n2)C(=O)O)F	PC-id_137408029,SCHEMBL20640681	199.182	SQJPUBXXHNQPLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014430
CC[C@@H]1C[C@@H](c2n1nc(n2)C(=O)O)F	PC-id_137408030,SCHEMBL20640682	199.182	SQJPUBXXHNQPLE-UHNVWZDZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014431
CCOC(=O)c1nn2CC(Cc2n1)F	PC-id_137412407,SCHEMBL20645804	199.182	PKMMFLMTDVCQOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014432
COC(=O)C1CCc2nnc(CF)n12	MCULE-6264956130,EMOLS-id_42804368,PC-id_102534211	199.182	GYNDJCZQMUENHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014433
COC(=O)[C@@H]1CCc2nnc(CF)n12	ZINC22_62709420	199.182	GYNDJCZQMUENHJ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014434
COC(=O)[C@H]1CCc2nnc(CF)n12	ZINC22_62709422	199.182	GYNDJCZQMUENHJ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014435
n12ncnc1SC(CC(=O)O)C2=O	EMOLS-id_50023955,PC-id_84819171,MCULE-9126714322	199.187	TVRGMNVOUXUMIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014436
O=C(O)C[C@@H]1Sc2ncnn2C1=O	ZINC22_219779214	199.187	TVRGMNVOUXUMIH-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-014437
O=C(O)C[C@H]1Sc2ncnn2C1=O	ZINC22_219779288	199.187	TVRGMNVOUXUMIH-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014438
S1(=O)(=O)CCn2c1nc(N=C=O)c2	PC-id_83915988	199.187	IEYYNWHTKWOEIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014439
S1(=O)(=O)CCn2nc(N=C=O)cc12	PC-id_83915989	199.187	NBHCEPKDOVTVIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014440
O=C1c2n(ccc2)C/C/1=Cc1occc1	CT-id_2226725,PC-id_139079216,2226725_OpenMolecule	199.205	RGJPDAXVSHTOSI-VQHVLOKHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-014441
OCCOc1n2CCCn2c(=O)c1N	PC-id_141120989	199.207	HMTFITLPXKXOPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014442
NC#CC#Cc1cn2c(c1)CN(C2=O)C	SCHEMBL18520770	199.209	RGGTWBHIWBQVQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014443
c1(C(=O)N)c2COCc2sc1OC	MCULE-9438881931,EMOLS-id_331061806	199.227	OBYDIGOGJOLFDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014444
c1(C(=O)O)c2CNCc2sc1OC	MCULE-3601132136,EMOLS-id_331064875	199.227	VXMLNJPHAZGZTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014445
c1(C(=O)OC)c2COCc2sc1N	MCULE-8254848847,EMOLS-id_331062830	199.227	PHNRJYTUQOAPLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014446
c1(N(=O)=O)c2CCCc2sc1CO	MCULE-3075999014,EMOLS-id_330871361	199.227	IFEVJDBFTIIVIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014447
COc1scc2c1CN(C2)C(=O)O	PC-id_67803652,SCHEMBL9240679	199.227	GEDIAOBZJORMND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014448
COC(=O)c1sc(c2c1OCC2)N	PC-id_112545865	199.227	DBNIWILABRMCOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014449
O(C1C[n+]2[nH]oc(=O)c2C1)C(C)(C)C	PC-id_67439724	199.227	RZFUBHJRJUXBLK-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-014450
OCc1nc2c(s1)CCC2C(=O)O	PC-id_104287392	199.227	HBAMCLRPTYKPHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014451
OC(=O)c1sc2c(n1)C(OC2)(C)C	EMOLS-id_96381930	199.227	FHLXFJRHOSSLPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014452
OC(=O)Cn1c(=O)sc2c1CCC2	EMOLS-id_37339747,PC-id_16767871	199.227	LENXLQZZJMMUHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014453
s1c2C(CCc2[nH]c1=O)CC(=O)O	PC-id_83880489	199.227	AIKKYWQKUUXPOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014454
s1c2c([nH]c1=O)C(CC2)CC(=O)O	PC-id_83880487	199.227	HWIJKWKZMMLKHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014455
Cc1nc2SC(CCO)C(=O)n2n1	PC-id_50741523,MCULE-8126605445,EMOLS-id_31520964	199.23	JVINJMYTSHOKTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014456
COC(=O)Nc1cn2c(n1)SCC2	CoCoCo_5666630,PC-id_355789,NSC610141	199.23	HAQPBCWDZZDBSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014457
n12CCSc1nnc2C(C(=O)O)C	MCULE-8601700777	199.23	ZRRQTAXWLVIQSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014458
n1c(N)c(n2CCSc12)C(=O)OC	MCULE-7960017704,PC-id_55252559,EMOLS-id_317738557	199.23	IQIPOFSJLKDJGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014459
Nc1nc2n(c1C(=O)CO)CCS2	PC-id_97705887	199.23	AIANNVNGZKXTGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014460
O=c1n(CC2CO2)nc2n1CCS2	SCHEMBL3521409,PC-id_57927191	199.23	GKHBOWNJHGDVHV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-014461
OCC[C@@H]1Sc2n(C1=O)nc(n2)C	PC-id_94217979	199.23	JVINJMYTSHOKTI-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014462
OCC[C@H]1Sc2n(C1=O)nc(n2)C	PC-id_94217980	199.23	JVINJMYTSHOKTI-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014463
S1c2n(CC1)cc(n2)C(N)C(=O)O	PC-id_82658274	199.23	MMNNZQLATADBEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014464
S1c2n(CC1)c(c(n2)C(=O)O)CN	PC-id_82367597	199.23	DXWABMVNSNAFLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014465
S1c2n(CC1)c(C(N)C(=O)O)cn2	PC-id_82397862	199.23	UJFVNFWPPLNYLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014466
S1c2n(nc(c2)C(N)C(=O)O)CC1	PC-id_82658275	199.23	ZCLHDSIVIRLIRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014467
S1Cc2c(nn(c2N)CC(=O)O)C1	PC-id_85941988	199.23	BZICYCNLXBFNTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014468
S1CCn2c(nnc12)CCC(=O)O	PC-id_82607448	199.23	UQBNXEXZCXCTDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014469
S1CCn2nc(nc12)CCC(=O)O	PC-id_82397864	199.23	SJBQRRHMHJUBNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014470
s1nc(c2N(CC(N)c12)C)C(=O)O	PC-id_82607450	199.23	SLOHWPXRLVLPAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014471
S1(=O)c2n(nc(n2)C(C)C)C(=O)C1	PC-id_86191753	199.23	BPPBKXZCTKNNLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014472
S1(=O)c2n(nc(n2)CCC)C(=O)C1	PC-id_86191754	199.23	HEWCCNJBCRDSEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014473
S=c1n(c2c([nH]1)CNC2)CC(=O)O	PC-id_82397866	199.23	BFZVAGYZQVUBQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014474
CNC1Nc2c(cnn2S1)C(=O)N	PC-id_137197473	199.234	WCBQZXBHKNZCRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014475
c12C(=O)C(N)Sc1c(sc2)C=O	MCULE-5890988368,PC-id_82607468	199.25	XUZKKQDUWCTKBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014476
Cc1c(sc2c1SC(=O)C2=N)O	PC-id_137223578	199.25	ZYCHNAYOCNEOOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014477
S1C(N)C(=O)c2sc(cc12)C=O	PC-id_82607469	199.25	HPDJNSSSFGYECG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014478
s1[n+]2CCCc2c(n1)C(=O)OCC	PC-id_10728428	199.25	QTYYFOLPEIELEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014479
c1ccc(cc1)Cc1n[nH]c2c1CNC2	PC-id_112710449	199.252	DHEILEPNVMRKRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014480
c1ccc(cc1)CN1CCn2c1ccn2	CoCoCo_5545105,CoCoCo_5545104,NSC227229,PC-id_313341,LI_171649	199.252	NBABPGQWTONBEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014481
c1ccc(cc1)Cn1cnc2c1CCN2	PC-id_96620546	199.252	GCIUKKSUYAWHTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014482
c1ccc(cc1)Cn1nnc2c1CCC2	PC-id_101888705	199.252	SXNOTPBLBJJXOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014483
c1ccc(cc1)Nc1[nH]nc2c1CCC2	SPECS-id_AT-225/JK05440,PC-id_677139	199.252	FRUIYRXGLWBINX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014484
c1ccc(CN2Cc3cn[nH]c3C2)cc1	PC-id_7147069,ZINC22_4243142	199.252	AEFAVKDEJCJMHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014485
C(c1nnc2CCCn12)c1ccccc1	EMOLS-id_324797198,MCULE-1801552333	199.252	QBWUVACCEPTHOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014486
n1c(Cc2ccccc2)[nH]c2CNCc12	MCULE-8889237982,PC-id_83949421	199.252	KUCBDBPNYUNXMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014487
n1(nc2c(CNC2)c1)Cc1ccccc1	PC-id_82397741	199.252	OQOGUJWWLFHDMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014488
n1(ncc2c1CNC2)Cc1ccccc1	PC-id_84751055	199.252	ZHRNFHRSAKZKIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014489
c12CN(Cc1sc(OC)c2CO)C	MCULE-4484245944,EMOLS-id_331064359	199.27	JCWXXXZVWHKGJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014490
c1(CNC)c2COCc2sc1OC	EMOLS-id_331062062,MCULE-3596949254	199.27	VXBKJMHMUOCZOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014491
CC(c1sc2c(n1)C(OC2)(C)C)O	EMOLS-id_114640293	199.27	WEVSKSTVUSQDOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014492
O=c1sc2c([nH]1)C(OC2(C)C)(C)C	PC-id_79928363,EMOLS-id_97236567	199.27	OAMATTLOANUSNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014493
S1c2n(CC1)c(c(c2CO)CO)C	PC-id_14061084	199.27	VHHRMVGTUPDHJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014494
S1Cc2n(c(c(c2CO)CO)C)C1	PC-id_13900364	199.27	ZMIHMFJWZOXPDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014495
Sc1nc2c(o1)C(OC2(C)C)(C)C	PC-id_106799029,EMOLS-id_97125178	199.27	IVJUPJSEKHTOBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014496
CCCS(=O)N1Cc2c(C1)c[nH]n2	MCULE-9831845402,EMOLS-id_107362522	199.273	BFZOMFBPKPFLNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014497
CC(S(=O)N1Cc2c(C1)c[nH]n2)C	EMOLS-id_97227739,MCULE-4287569544	199.273	PVDPXTGZHZCACE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014498
NCCCn1[nH]c2c(c1=O)CSC2	PC-id_105452288	199.273	FQKIXFNZSMVDNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014499
s1c2CN(Cc2nc1N)CCCO	PC-id_82194358	199.273	XWXBJCVCLXKFBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014500
S1c2n(CC1)c(c(n2)C)CNOC	PC-id_82607515	199.273	CNKJKMOFRHKFHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014501
S1c2n(CC1)cc(n2)C(O)CNC	PC-id_82658339	199.273	ZLRIPVVZJURVDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014502
S1c2n(CC1)c(c(n2)C(O)CN)C	PC-id_83880526	199.273	GKAUOJHMWBFYNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014503
S1c2n(c(c(n2)C(N)CO)C)CC1	PC-id_83880527	199.273	CCABQKFGEGFIBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014504
S1c2n(c(C(N)CCO)cn2)CC1	PC-id_82607512	199.273	WWJZWYHVYKMDLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014505
S1c2n(C(CN)C)c(=O)[nH]c2CC1	PC-id_82397701	199.273	BHBUDDGJRIBSCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014506
S1c2n(c(C(N)CO)c(n2)C)CC1	PC-id_82607510	199.273	FZIRLPWFJJCNSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014507
S1c2n(c(C(O)CCN)cn2)CC1	PC-id_82607513	199.273	HEWJJMGYNNMWOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014508
S1c2n(c(C(O)CNC)cn2)CC1	PC-id_82607516	199.273	MZAWIOPFAZAHRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014509
S1c2n(c(C(O)CN)c(n2)C)CC1	PC-id_82607511	199.273	RULYSFWSIHOWLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014510
S1c2n(nc(C(O)CNC)c2)CC1	PC-id_82658340	199.273	WDXUHZMVHDDQFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014511
S1Cc2n(C(CN)C)c(=O)[nH]c2C1	PC-id_82397702	199.273	ORNJLNQFDYBZGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014512
S1(=O)Cc2c(nn(c2N)C(C)C)C1	PC-id_59050136	199.273	BEKZOHHDHNZMSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014513
S1(=O)Cc2n(C(CN)C)cnc2C1	PC-id_83485277	199.273	MCASKFGGJQBWJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014514
CCSc1nn2C(NNc2c1N)C	PC-id_136648705	199.277	YPCWQTXMLCYOSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014515
FCCNCc1sc2c(c1)CCC2	PC-id_80694034,EMOLS-id_313715759	199.288	HENTZBUZCPDQBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014516
NCCC(F)c1cc2CCCc2s1	EMOLS-id_313836726,MCULE-6686117589	199.288	BHYGMFYMUTXUFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014517
c1(C(=O)NC)cc2c(CSC2)s1	EMOLS-id_330874689,MCULE-9689277711	199.293	IIZBKYMPIWGAIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014518
c1(C(=O)NC)csc2CSCc12	EMOLS-id_331061289,MCULE-7622839727	199.293	QVUPYISEVIUFAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014519
NC(=O)C1(C)Cc2c(S1)scc2	SCHEMBL9459069,PC-id_19759910	199.293	ANYAJUCUSVRKCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014520
s1sc(=NC(=O)C)c2CCCc12	PC-id_12323341	199.293	SJJIBHWHMUGOKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014521
CC1CC(c2c1[nH]c(=S)s2)(C)C	PC-id_106664169,EMOLS-id_96080272	199.336	XGMDJTDQSCWBBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014522
Cc1sc(c2c1N(C)C(S2)C)C	PC-id_145624452	199.336	RETGNQBMGCKDDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014523
s1c2c(n(CCC)c1=S)CCC2	PC-id_85766482	199.336	NSISIQOLZBHQQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014524
OC(=O)c1c(Cl)cc2n1C(=O)CC2	PC-id_117273039	199.591	ODNHPTWGHNIQAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014525
CC1Cc2c(C1)c(c([nH]2)C(=O)O)Cl	PC-id_70289157,SCHEMBL8151503	199.634	PCXJFYPCJFKVNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014526
CC1Cc2c(C1C(=O)O)c[nH]c2Cl	PC-id_112715572	199.634	XUDZMJGZLGPQDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014527
CC1CCc2c1c(Cl)c([nH]2)C(=O)O	SCHEMBL8145089,PC-id_70287411	199.634	PDRKUPOALQTRKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014528
CC1CCc2c1[nH]c(c2Cl)C(=O)O	SCHEMBL8153554,PC-id_70289714	199.634	JOIACQUQYBJXRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014529
C[C@H]1Cc2c(C1)c(c([nH]2)C(=O)O)Cl	PC-id_57659825,SCHEMBL12777411	199.634	PCXJFYPCJFKVNH-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014530
C[C@H]1CCc2c1c(Cl)c([nH]2)C(=O)O	PC-id_57659890,SCHEMBL12777397	199.634	PDRKUPOALQTRKX-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014531
C[C@@H]1CCc2c1[nH]c(c2Cl)C(=O)O	SCHEMBL12777406,PC-id_57659944	199.634	JOIACQUQYBJXRC-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014532
Clc1cc2n(CCC2C(=O)OC)c1	SCHEMBL10814843,PC-id_12795078	199.634	BNDHWVIIMWWLRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014533
Clc1n2c(CCC2)c(c1)C(=O)OC	PC-id_84048967	199.634	KHOSKNHYRRYTMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014534
Clc1n(c(c2c1CCC2)C(=O)O)C	PC-id_84014839	199.634	HVVIHUJLETYDIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014535
Clc1n(cc2C(CCc12)C(=O)O)C	PC-id_83908289	199.634	QXUZUQKFKVLCAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014536
Clc1[nH]cc2C(CCc12)CC(=O)O	PC-id_83908288	199.634	GZMVVFMSTHIVNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014537
COC(=O)c1c(Cl)cc2CCCn12	EMOLS-id_324035533,MCULE-6088669198,SCHEMBL19900896,PC-id_134285188	199.634	GPANAHAQHDGTFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014538
COC(=O)c1c(Cl)cn2c1CCC2	SCHEMBL21378238,PC-id_139507380	199.634	TUHJDSXMMSISBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014539
C[C@@H](C(=O)N1Cc2c(C1)c[nH]n2)Cl	EMOLS-id_97152757,EMOLS-id_97174003	199.637	GVJHFJCZNVFFTD-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014540
ClCCC(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_313635427,MCULE-4602891672	199.637	DNYOSLXXQNJSIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014541
NCC(=O)c1c(Cl)nc2n1CCC2	PC-id_112545883	199.637	XMPNJCSMAFOAGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014542
CC(C(=O)N1Cc2c(C1)c[nH]n2)Cl	EMOLS-id_96760482,MCULE-3306439328	199.638	GVJHFJCZNVFFTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014543
ClCC(=O)NC1CCn2c1ncc2	MCULE-5388971294	199.638	VXWQLQAAONXRFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014544
NCC(=O)c1nc2n(c1Cl)CCC2	PC-id_112545884	199.638	UAOUBEFAFPEDOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014545
Clc1nc2SCCn2c1CC#N	PC-id_10631855	199.661	KOMMVQMEWDSULQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014546
CC1Cc2c(C1CCN)oc(c2)Cl	PC-id_112715574	199.677	USNKSOXNTJISLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014547
CC1Cc2c(C1CNC)cc(o2)Cl	PC-id_112715579	199.677	VAYZBHWSTFEXDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014548
CC1Cc2c(C1CNC)oc(c2)Cl	PC-id_112715578	199.677	PONIRZPQEVLPJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014549
CC(C1C(C)Cc2c1cc(o2)Cl)N	PC-id_112715577	199.677	BMFVLLDBIHXQRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014550
CC(C1C(C)Cc2c1oc(c2)Cl)N	PC-id_112715576	199.677	KTEZNLXMEZBLMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014551
Clc1oc2c(C(C(CN)C)CC2)c1	PC-id_83908299	199.677	KBLUAIBHIKJNNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014552
ClCc1noc2c1C(C)(C)CC2C	EMOLS-id_96721535,PC-id_106664550	199.677	KQSHXBREPMCMEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014553
NCC(C1CCc2c1oc(c2)Cl)C	PC-id_112715573	199.677	RJKCKECEZYVNEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014554
o1c2CC(C)C(CCN)c2cc1Cl	PC-id_112715575,MCULE-9191425676	199.677	QDDPSILJKUEPMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014555
ClCCCNc1nc2CCCc2[nH]1	EMOLS-id_50077594,MCULE-8026985591,PC-id_66490471	199.681	XJYPNXOLBSEWPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014556
CNCCc1nc2n(c1Cl)CCC2	PC-id_112545886	199.681	ZEJXNAJKTAOHPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014557
n1c2CCCn2c(CCNC)c1Cl	MCULE-7800320124,PC-id_112545885	199.681	KPOWQVDXYVLKAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014558
C1N2C=CC=C2C(S1)C(=S)[S-]	PC-id_154507640	199.967	JSUOOCPKOBVARG-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-014559
Bc1cc2c(s1)C(=O)C(C2=O)(F)F	SCHEMBL13176298	199.97	RYOJEQIFTQNFFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014560
CC1CCN2C1=NC(=C2)Br	PC-id_164903511,EMOLS-id_337850728	199.995	RWQKNWIVHXVUBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014561
CC1(CC2=C(S1)SC=C2)C(=O)O	PC-id_154211542	199.997	KLAAKOSXZHRIAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014562
Brc1cc2C(=O)CCn2c1	SCHEMBL14332324,EMOLS-id_324001960,PC-id_71143824	200.033	NXLZAEYWGSRNGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014563
Brc1n2CCC(=O)c2cc1	PC-id_84669198	200.033	IPZYWUKVOAREOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014564
Brc1[nH]cc2C(=O)CCc12	PC-id_83908314,EMOLS-id_71008939,MCULE-9236325832,ZINC22_107435878,SCHEMBL16547901	200.033	AWGOVKRICLEANC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014565
COC(=O)C1=C(N2CCCC2=N1)Cl	PC-id_154730153	200.035	UNCWZVVZTFIITH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014566
COC(=O)C1=C(N=C2N1CCC2)Cl	PC-id_154727876	200.035	PVTLDNWPNSUOCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014567
Brc1nc2C(=C)CCn2n1	EMOLS-id_337733701	200.036	MEGCUGMXIZKASL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014568
c1c2c(c[se]1)C(=O)NC2=O	PC-id_89980812,SCHEMBL15488741	200.054	JMCAMSVIYFKGKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014569
Brc1c2CCCc2[nH]c1C	PC-id_84775680	200.076	FWBVFLITAYKRDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014570
Brc1cc2c(n1C)CCC2	PC-id_112708957	200.076	QUIWHUQDRLFKOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014571
Brc1[nH]c2c(c1C)CCC2	PC-id_112708958	200.076	WMWLPEJWWNCVCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014572
CC1CC(N2C1=CC=C2C(=O)N)(F)F	PC-id_151059858	200.076	MFXYYJJYESKZQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014573
CC(C)(C)C1=C2C(CCN2N=C1)(F)F	PC-id_154617876	200.113	MZWPUKLUEWFWOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014574
CC(C)(C)C1=NN2CCC(C2=C1)(F)F	PC-id_154617972	200.113	GTGCRAULLXTKSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014575
CCN1C2=C([C@H](CC2(F)F)C)C(=N1)C	PC-id_153401200	200.113	JMMKNRKAHOOOCA-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-014576
c1(C(=O)O)c2COCc2nn1CCF	MCULE-3454506631,EMOLS-id_324399190	200.167	RKPJCALDFTXBBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014577
O=C1c2[nH]ccc2N=C1S(=O)(=O)O	PC-id_141057838	200.172	GLZWZSUOWFKKOV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014578
S1(=O)(=O)CCn2nc(nc12)N=C=O	PC-id_83916057	200.175	FSDQNGSVXWIFIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014579
CC(=O)c1nn(c2c1C(F)(F)CC2)C	PC-id_105452654	200.185	YQPBDJUABJGQCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014580
O=Cc1nn(c2c1C(F)(F)CC2)CC	PC-id_105452653	200.185	GBCZZBVPROHYCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014581
c1(C(=O)O)c2COCc2sc1OC	EMOLS-id_331059502,MCULE-9042497951	200.212	RHPZRRGQZDFHMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014582
COC(=O)c1sc2c(c1O)COC2	PC-id_117836434,SCHEMBL16418919	200.212	NMICXYHBBFYZQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014583
S1(=O)(=O)Cc2c(C1)coc2C(=O)C	PC-id_11117055	200.212	RDWBOKGEDHCNBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014584
S1(=O)(=O)C(c2c(C1)coc2)C(=O)C	PC-id_15150123	200.212	ARDBRKCZFLPYBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014585
S1(=O)(=O)Cc2c(C1=C(O)C)coc2	PC-id_85652726	200.212	NQYVSIJIWDTTMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014586
CC(=O)c1n[nH]c2c1CS(=O)(=O)C2	PC-id_105452692	200.215	BKSLAVYSCPNOFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014587
CN1CC(c2c1c(ns2)C(=O)O)O	PC-id_112488097	200.215	XHZGWMTWJSJPLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014588
NS(=O)(=O)n1cc2CCC(=O)c2c1	PC-id_134188911,EMOLS-id_324006313,SCHEMBL19791799	200.215	IUSNVCKZFFLROS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014589
O=Cc1n(C)nc2c1CS(=O)(=O)C2	PC-id_105452702	200.215	SJMGCDAFRPQXFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014590
O=Cc1nn(c2c1CS(=O)(=O)C2)C	PC-id_105452700	200.215	WRZRBIVJOLQTSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014591
OC(=O)c1nc2n(c1C)C(CS2)O	PC-id_141200497	200.215	WBPIXMVQBPKOIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014592
OC(=O)Cn1nc2c(c1O)CSC2	EMOLS-id_96158176	200.215	WIBSSBHOECUYAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014593
S1Cc2c([nH]n(c2=O)CC(=O)O)C1	PC-id_83196783	200.215	GMXNURFOBMHDRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014594
S1CCn2c(c(nc12)C(=O)O)CO	PC-id_82367541	200.215	XROPPQOOTMHGLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014595
S1(=O)(=O)CCn2nc(cc12)C(=O)C	PC-id_82658382	200.215	LKGNPOSKXVVXQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014596
C(#N)/C(=C
/c2ccsc2C(=O)C1)/C#N	EMOLS-id_317465527,MCULE-5530807014,PC-id_135394702	200.217	HDHQGIWTIHTYRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014597
O=C1C/C(=C(C#N)/C#N)/c2c1csc2	SCHEMBL21173232,EMOLS-id_330454638,MCULE-7292976788,PC-id_138857495	200.217	GBBRGVXKTMQPSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014598
OC1=CC(=C(C#N)C#N)c2cscc12	EMOLS-id_337716831	200.217	POOLMDJXBCIZGV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014599
n12nc(nc1SC(CCO)C2=O)N	EMOLS-id_31520968,PC-id_50741531,MCULE-7325931440	200.218	NJYTVWNBRJGWOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014600
OCC[C@H]1Sc2n(C1=O)nc(n2)N	PC-id_94217983	200.218	NJYTVWNBRJGWOX-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014601
OCC[C@@H]1Sc2n(C1=O)nc(n2)N	PC-id_94217984	200.218	NJYTVWNBRJGWOX-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-014602
S1CCn2c(nnc12)C(N)C(=O)O	PC-id_82397513	200.218	YIWRRJXIYKRENE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014603
S1CCn2nc(nc12)C(N)C(=O)O	PC-id_82607591	200.218	QSIRDPGNBQUCFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014604
S1(=O)(=O)CCn2c1nc(c2)C(=N)N	PC-id_83677848	200.218	QDUKANNMRZIBSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014605
S1(=O)(=O)CCn2nc(cc12)C(=N)N	PC-id_83677846	200.218	KCKXIRDTLJHALM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014606
s1c2c(C(F)(CC2)CC(=O)O)cc1	PC-id_83819229	200.23	ZJWCGVJFBDWMHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014607
S1c2c(C(=O)C1)c(sc2)C(=O)O	PC-id_84014854	200.235	MTYWZEAXQPOCQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014608
S1c2c(C(=O)C1)csc2C(=O)O	PC-id_84014855	200.235	FOPSUBCRBWFEDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014609
S1c2c(C(=O)C1O)c(sc2)C=O	PC-id_82607594	200.235	STXILOIUMFCAAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014610
S1c2c(C(=O)C1O)csc2C=O	PC-id_82607595	200.235	OAPUGXXGKLJFHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014611
S1c2c(sc(c2)C=O)C(=O)C1O	PC-id_82607596	200.235	LYIYLVOJQDBFAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014612
S1c2c(sc(c2)C(=O)O)C(=O)C1	PC-id_84014856	200.235	BGBVAUVHOSGXNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014613
c1ccc(cc1)Cc1onc2c1CNC2	PC-id_112710451	200.236	SVIKJOLLLWOISQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014614
C=C/C=C(C=C)/c1c2CN=Cc2c([nH]1)O	PC-id_137228875	200.236	ABKMMVVCSLZCNH-VMPITWQZSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014615
o1c2c(nc1Cc1ccccc1)CNC2	PC-id_83949304	200.236	DHGQIMHTMRLPFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-014616
O=C(c1ccc2n1CCC2)c1ccc[nH]1	SCHEMBL10641578,PC-id_20401505	200.236	GHDDOLYJPXEHGE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-014617
O=C(C1CCn2c1ccc2)c1[nH]ccc1	SCHEMBL10641885,PC-id_70410542	200.236	RUBSKASRBLQKLK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-014618
c1(c(sc2c1SC(=O)C2=N)O)N	PC-id_136961280	200.238	XPSOZOHTNMYWFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014619
c1(C#N)c2C(C)CCc2n(CCC#N)n1	EMOLS-id_331025920,MCULE-3919193366	200.24	KPCLPLJMPAUYIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014620
c1(C#N)n(CCC#N)nc2CCC(C)c12	MCULE-8815694585,EMOLS-id_331008176	200.24	JIEFTFBLZZDBIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014621
S1(=O)(=O)C(C(C)C)c2c(C1)coc2	PC-id_85626768	200.255	AWZWBBQVEYFNFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014622
CC(c1n[nH]c2c1CS(=O)(=O)C2)C	PC-id_118489298,SCHEMBL17229775	200.258	ITUCJYFMODXPCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014623
CC(Cn1nc2c(c1O)CSC2)O	EMOLS-id_114645860	200.258	XDFRMRHZBBVSFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014624
CCS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_97168955	200.258	DSXCZBLGKUCVIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014625
Cn1nc(c2CCCc12)S(=O)(=O)C	EMOLS-id_337968159	200.258	PTOHSLWLRALPJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014626
COCCn1c2COCc2sc1=N	PC-id_69292652,SCHEMBL5047353	200.258	WKVHVBVOGYVCJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014627
OCCCn1[nH]c2c(c1=O)CSC2	PC-id_105452893	200.258	RWTIEYCGISCEGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014628
S1(=O)Cc2c([nH]n(C(C)C)c2=O)C1	PC-id_59050163	200.258	JNDDWRYKZGGGCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014629
S1(=O)(=O)c2c(nn(c2)C(C)C)CC1	PC-id_59050169	200.258	BIDYYSCXHNEXNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014630
S1(=O)(=O)Cc2c([nH]c(c2CN)C)C1	PC-id_84775874	200.258	BWBOSVPQSNANDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014631
S1(=O)(=O)Cc2c(nn(c2)C(C)C)C1	PC-id_59050208	200.258	PCPXELLMOOPLRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014632
S1(=O)(=O)Cc2[nH]c(cc2C1)CCN	PC-id_84775877	200.258	SXRLCQBDZADSCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014633
S(=O)(=O)(c1n(nc2c1CCC2)C)C	PC-id_83856396	200.258	KKTQTWGRLONTOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014634
N#CC(=C1CCc2c1sc(c2)C)C#N	SCHEMBL16977293,PC-id_118282151	200.26	LQAHTFZMPJBBGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014635
[NH+]1(Cc2[nH]ncc2C1)Cc1ccccc1	PC-id_7147068	200.26	AEFAVKDEJCJMHR-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-014636
CCS(=O)(=N)N1Cc2c(C1)cn[nH]2	MCULE-6162915228	200.261	NWJIDESQQVLCPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014637
C1c2c(CS1)sc(c2)COC=O	SCHEMBL12622633,PC-id_88938418	200.278	YJMHOOASVKSANE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014638
c1(C=O)c2CSCc2sc1OC	MCULE-8088230804,EMOLS-id_331062313	200.278	NUHKMODUADVDQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014639
c1(C(=O)OC)cc2c(CSC2)s1	CoCoCo_2684197,MCULE-5092983066,ZINC22_3030504,SCHEMBL1659891,PC-id_3441857,EMOLS-id_28322257	200.278	HHUQUYKPAMERGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014640
c1(C(=O)OC)csc2CSCc12	EMOLS-id_331062824,MCULE-6928737303	200.278	ADFLBSLZCKHYON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014641
CC1=c2sccc2=C(S1(=O)=O)C	PC-id_71110456,SCHEMBL14235573	200.278	GDCUOIMVZAZLJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014642
COC(=O)c1sc2SCCc2c1	MCULE-8040423891,PC-id_19759902,SCHEMBL9459052	200.278	GMAXJOLAUXXUKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014643
OC(=O)Cc1cc2c(s1)SCC2	PC-id_97705934	200.278	DGAJVEIFHPKKGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014644
S1CCc2sc(cc12)C(=O)OC	PC-id_11063453	200.278	VLTKLZYJEREEFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014645
S1(=O)(=O)c2scc(c2C(=C1)C)C	PC-id_46854484	200.278	JRSOUKTVUJAMFG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014646
S1(=O)(=O)C(=Cc2sccc12)CC	PC-id_21784703	200.278	UMUHBFQRWRMLSJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014647
C=C/C=CC(=C/C)c1nn2c(c1)CCC2	PC-id_145164709	200.28	ZDBHMVVSVYRPDB-WZXAJVQYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014648
c1(C(=O)N)c2CSCc2sc1N	MCULE-6603173612,EMOLS-id_331062826	200.281	SBBIRIDLJKPJGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014649
c1(C(=O)N)sc2CSCc2c1N	MCULE-9462835864,EMOLS-id_330872386	200.281	SUMDRZBGQNDRLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014650
c12CSCc1sc(CNC)c2N	MCULE-8987605737,EMOLS-id_330872642	200.324	CRXRZXFDVXWTBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014651
c1(CNC)c2CSCc2sc1N	MCULE-9521639631,EMOLS-id_331063082	200.324	YGKNPKLIGRLBDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014652
CCC1Nc2c(S1)nc(s2)CC	SCHEMBL15897533,PC-id_90298977	200.324	MDGNJNHMGFXJSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014653
CSCn1c(=N)sc2c1CCC2	EMOLS-id_114647428	200.324	SEOUXHUBPCVKBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014654
s1c2CCCc2nc1[C@@H](N)CS	PC-id_82671043	200.324	VWXIXWNTVGQSMH-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014655
CC(C)(C)c1csc2[n+]1CCS2	EMOLS-id_8197789,MCULE-1258386549,PC-id_824434,CoCoCo_6870736,SPECS-id_AB-601/30964057,GD-id_ZINC00343076,ZINC22_343076	200.344	DIRHVAMXSGOLMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014656
s1c(c2c(c1C)C(=S)SC2)C	PC-id_49852072	200.344	JAFNSABKELNXQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014657
Clc1nn2CCC(=O)c2c1C(=O)O	PC-id_83672068	200.579	YTOXTBOYFYZTNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014658
CC1Cc2c(C1C(=O)O)cc(o2)Cl	PC-id_112715589	200.619	FMIRLZKBVTYIPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014659
CC1Cc2c(C1C(=O)O)oc(c2)Cl	PC-id_112715588	200.619	WUAOJGBGTINHKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014660
Clc1oc2C(CCc2c1)CC(=O)O	PC-id_83908366	200.619	SEZMSNOUMPJKNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014661
Clc1oc2c(C(CC2)CC(=O)O)c1	PC-id_83908367	200.619	SIWJFVXITSLMOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014662
Clc1nc2n(C(CC2)C(=O)O)c1C	PC-id_82397383	200.622	XSVORAALYOTVGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014663
Clc1nc2n(CC(C2)C(=O)O)c1C	PC-id_82397384	200.622	HEDRNPIHVQPLPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014664
Clc1[nH]cc2C(N)(CCc12)C(=O)O	PC-id_83908370	200.622	LMIGRQACSPMCNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014665
Clc1n(nc2c1CCC2)CC(=O)O	PC-id_66014312,EMOLS-id_41631860	200.622	WDSNGOJGZYYDME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014666
OC(=O)Cc1c(Cl)nc2n1CCC2	PC-id_112545894	200.622	LIHXNMBZUUUNFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014667
OC(=O)Cc1nc2n(c1Cl)CCC2	PC-id_112545895	200.622	LKOUILBFOVVDKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014668
C/C=C/1OC(=O)c2c1c(Cl)sc2	PC-id_142462839	200.642	SFGYFHGQGQCINR-DJWKRKHSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014669
C/C=C/1OC(=O)c2c1csc2Cl	SCHEMBL21432206,PC-id_139555743	200.642	RCMONHBUMXJLBT-DJWKRKHSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014670
ClC(=O)C1CC(=O)c2c1ccs2	SCHEMBL8900017,PC-id_18915019	200.642	RZFFTLFTOQZKRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014671
ClCc1c2CCCc2oc1COC	PC-id_83610062	200.662	ZJFXXRZUIFVGPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014672
c1(Cl)n(CCOC)c2c(CCC2)n1	EMOLS-id_31520396,ZINC22_22126272,PC-id_30033103,MCULE-6250710386	200.665	PKDKRGYHIIAXNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014673
CC1Cc2c(C1(N)CO)c[nH]c2Cl	PC-id_112715591	200.665	GMRMNGDJXCSZPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014674
CC1Cc2c(C1(O)CN)c[nH]c2Cl	PC-id_112715590	200.665	CPLVUBJLLQFDNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014675
CC(C)Cn1nc2COCc2c1Cl	EMOLS-id_324401492,MCULE-6855746685	200.665	NPWLFSZKCABOCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014676
Clc1n2CCCc2nc1C(O)(C)C	PC-id_84669779	200.665	YSDBPMKVYAMCSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014677
Clc1nc2n(CCC2)c1C(O)(C)C	PC-id_84669778	200.665	VYEHCWKTBPQZGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014678
Clc1n(cc2C(N)(CCc12)CO)C	PC-id_83908375	200.665	WSIHYNJKOJTRKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014679
Clc1n(cc2C(O)(CCc12)CN)C	PC-id_83908372	200.665	QJISQFPUWKXMSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014680
Clc1[nH]cc2C(O)(CCc12)CCN	PC-id_83908374	200.665	ZIMRYJDADDHMLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014681
Clc1c2CCCc2sc1C(=O)C	PC-id_84776017	200.685	IGIBABVPYQWVCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014682
ClCC(=O)c1cc2CCCc2s1	MCULE-6997284244,EMOLS-id_48602741,PC-id_80146046	200.685	VUHDGUUEAMYMDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014683
C1C2=C(C=N1)SC(=C2)Br	PC-id_153919682	200.925	LGTMTDRVGCIPSE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014684
C1N2C=CC=C2C(S1)C(=S)S	PC-id_154507641	200.974	JSUOOCPKOBVARG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014685
CN1CC(N2C1=CC=N2)Br	PC-id_154173370	200.99	JPCWVKXTFZTDLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014686
Brc1cc2C(=O)CCc2o1	PC-id_82397376,MCULE-3381287169,EMOLS-id_323996452,ZINC22_82382379	201.017	DSLXGANXQHNJKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014687
Brc1oc2c(CCC2=O)c1	PC-id_82397375	201.017	VNDWBLJFUPQMKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014688
Brc1c2n(C(=O)NC2)cc1	PC-id_83680179	201.021	BCRUIWPYUSZKQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014689
Brc1cc2CNC(=O)n2c1	EMOLS-id_95735977,PC-id_89793847,SCHEMBL15243947,MCULE-6106831808	201.021	XFLLMJPQDJKIBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014690
Brc1n2c(CNC2=O)cc1	PC-id_83680177	201.021	OBBHLBBNVSHOHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014691
Brc1[nH]c2c(CNC2=O)c1	PC-id_82397372	201.021	HKNXPQSPHHBKMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014692
Brc1[nH]cc2c1C(=O)NC2	PC-id_82607740	201.021	YKUWXNJUXAIQFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014693
Brc1n[nH]c2CCC(=O)c12	PC-id_83908382	201.021	WNGRVFNAUYHJRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014694
O=C1c2c(c([nH]c2)Br)CN1	MCULE-6608332747,PC-id_82607739	201.021	HMUYTQYGWGKJRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014695
O=C1CNc2c1cc([nH]2)Br	PC-id_96619836	201.021	FWRZIAITYGZESJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014696
O=C1Nc2c(C1)[nH]c(c2)Br	PC-id_140721914	201.021	XPHMDEWOROMCLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014697
Cc1c(n2c(n1)SCN2)CSC	PC-id_163918977	201.039	ORNRFNQVSDLCSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014698
Brc1c2CCCc2oc1C	PC-id_82397367	201.06	BOFBNGBBYZMSJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014699
Brc1c2c([nH]c1C)CNC2	PC-id_84776023	201.064	UMWSWOSFPWDHTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014700
Brc1nc2CCC(C)n2c1	EMOLS-id_337152454,MCULE-9729318965	201.064	GSYGCUUORDZZEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014701
Brc1n(c2c(CNC2)c1)C	PC-id_83485349	201.064	CIVQGPUTLQUJDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014702
Brc1[nH]c2CN(Cc2c1)C	PC-id_84776024	201.064	YAPCBRRRTLRJRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014703
Brc1nn(c2CCCc12)C	PC-id_84669818	201.064	LAKJKXHBJKIKNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014704
Brc1sc2N[C]=Cc2c1	PC-id_57431169	201.064	LKUBRRIJCYEIQU-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-014705
BrCc1cnc2CCCn12	EMOLS-id_97371640,MCULE-2039145503	201.064	SWTXSTBKFXMSNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014706
BrCc1cnn2CCCc12	MCULE-9050448219,EMOLS-id_106070463,PC-id_122129706	201.064	YBZDAFRCHRFQSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014707
BrCc1n[nH]c2CCCc12	MCULE-2579365661,EMOLS-id_96270364,EMOLS-id_296516510,PC-id_103027324	201.064	ZNOWIEONFCUZJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014708
BrC[C@H]1CCc2nccn12	EMOLS-id_330714453	201.064	XRHGTONKTCSFNB-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014709
BrC[C@@H]1CCc2nccn12	EMOLS-id_331117645	201.064	XRHGTONKTCSFNB-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-014710
c12CCCc1nn(C)c2Br	SCHEMBL3610756,ZINC22_88240215,EMOLS-id_114648623,PC-id_57425052,MCULE-7588047402	201.064	NZOHXUPPFVGHAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014711
c12C(C)CCc1n[nH]c2Br	EMOLS-id_331020459,MCULE-4304996213	201.064	XLUQZYJFDBZYNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014712
Cc1c(Br)n2c(CCC2)n1	MCULE-6047669591,PC-id_83681528,EMOLS-id_311637259	201.064	NWVJWZQAQDUYRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014713
CC1Cc2nc(Br)cn2C1	PC-id_164903521,EMOLS-id_337850984	201.064	BNTPDFXPFSWRFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014714
Cc1cnc2C(Br)CCn12	EMOLS-id_195324753,MCULE-4145876644	201.064	ZMBNOAOWXWYNTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014715
Cc1nc(Br)n2CCCc12	PC-id_145874520,MCULE-2512714617,EMOLS-id_320349627	201.064	GAYVXQJPXMGEEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014716
Cc1[nH]c(c2c1CNC2)Br	PC-id_96760987	201.064	IEANITCMDDVSOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014717
Cc1nn2CCCc2c1Br	EMOLS-id_324138549,SCHEMBL110500,PC-id_66599462	201.064	VPMOYRIHUAVLMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014718
CN1CCc2c1cc([nH]2)Br	PC-id_96619826	201.064	FXTDDWAHEVCCKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014719
NC1CCc2c(Br)[nH]cc12	EMOLS-id_323998368,PC-id_83908383	201.064	UJWXFZAQOBOPEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014720
Brc1c2CC=Cc2sc1	SCHEMBL818311,PC-id_58526157	201.084	RWDLORUCCPDPJC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014721
Brc1c2c(sc1)CC=C2	SCHEMBL2972418,PC-id_68462156	201.084	YWQAFPQGTFOTPE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014722
Brc1cc2c(s1)CC=C2	PC-id_68461279,SCHEMBL2970122	201.084	RIWHJMAHUYOLRH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014723
[O-][N+](=O)C1Nc2c(O1)n(cn2)[N+](=O)[O-]	PC-id_117993836,SCHEMBL16618200	201.097	FSIULLLXSORYSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014724
CCC(C1CCc2nc(nn12)C)(F)F	PC-id_163619147	201.108	HMPKQYDJZAXRDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014725
[se]1c2CC(C(O)c2cc1)C	PC-id_85787529	201.124	FQTXRKRDASKJTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014726
FC(F)(F)c1oc2c(CCC2)c1C#N	PC-id_83610544	201.145	KBFBXOAWCNKGLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014727
CC1c2cc([nH]c2CC1(F)F)C(=O)O	SCHEMBL8162452,PC-id_70291771	201.17	GVCFFDBFNLJTSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014728
CC1c2[nH]c(cc2CC1(F)F)C(=O)O	PC-id_70292851,SCHEMBL8167685	201.17	QFWHIWFQDSKFGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014729
CC1Cc2c(C1(F)F)cc([nH]2)C(=O)O	SCHEMBL8167688,PC-id_70292853	201.17	YKJABFOSLRDZJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014730
CC1Cc2c(C1(F)F)[nH]c(c2)C(=O)O	PC-id_70292091,SCHEMBL8163909	201.17	LVCCIOSVNSTBBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014731
CC1CC(c2c1cc([nH]2)C(=O)O)(F)F	SCHEMBL8163570,PC-id_70292003	201.17	YKTYNAVCGAFLCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014732
CC1CC(c2c1[nH]c(c2)C(=O)O)(F)F	PC-id_70292855,SCHEMBL8167691	201.17	AFJFGTCCQJOWTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014733
C[C@@H]1c2cc([nH]c2CC1(F)F)C(=O)O	PC-id_57659830,SCHEMBL12777436	201.17	GVCFFDBFNLJTSZ-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014734
C[C@H]1c2[nH]c(cc2CC1(F)F)C(=O)O	SCHEMBL12777438,PC-id_57659920	201.17	QFWHIWFQDSKFGP-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014735
C[C@H]1Cc2c(C1(F)F)cc([nH]2)C(=O)O	PC-id_57659873,SCHEMBL12777435	201.17	YKJABFOSLRDZJJ-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014736
C[C@@H]1Cc2c(C1(F)F)[nH]c(c2)C(=O)O	SCHEMBL12777500,PC-id_57659948	201.17	LVCCIOSVNSTBBK-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014737
C[C@H]1CC(c2c1cc([nH]2)C(=O)O)(F)F	SCHEMBL12777422,PC-id_57659844	201.17	YKTYNAVCGAFLCN-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014738
C[C@@H]1CC(c2c1[nH]c(c2)C(=O)O)(F)F	PC-id_57659954,SCHEMBL12777437	201.17	AFJFGTCCQJOWTB-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014739
COC(=O)c1cc2CC(F)(F)Cc2[nH]1	SCHEMBL1004882,PC-id_59180200,EMOLS-id_323998123	201.17	VMOAXRDOITVZDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014740
FC1(F)Cc2c([nH]c(c2C)C(=O)O)C1	SCHEMBL8162291,PC-id_57659904	201.17	JMCZODJRGZLPEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014741
OC(=O)c1cc(C(F)F)c2CCCn12	EMOLS-id_336488914,MCULE-7458887527	201.17	BYZPCYAQWAGTPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014742
c12c(C=O)cnn1CCN2CC(F)F	MCULE-8982050864,EMOLS-id_317865982	201.173	WKVTXSVKFSHBII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014743
CC(=O)Nc1n[nH]c2c1CCC2(F)F	PC-id_144693623	201.173	UJIYWUCBDDOAOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014744
O=C(C(F)(F)C)N1Cc2c(C1)c[nH]n2	EMOLS-id_107404760,MCULE-8254919183	201.173	PFFJUMWNKULWPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014745
Cc1oc2c(c1C)C(=O)NS2(=O)=O	PC-id_20471892,SCHEMBL11047095	201.2	TUIYJPZHNFTHNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014746
Brc1oc2CN(Cc2c1)C	PC-id_82397202	202.049	VKMALJRQMZCENR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014895
Cc1oc(C)c2c1C(=O)NS2(=O)=O	MCULE-1734012541,EMOLS-id_208098658	201.2	UQTQYBHYSSPYIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014747
CCc1cc2c(o1)S(=O)(=O)NC2=O	PC-id_20471866,SCHEMBL11048535	201.2	PAXPLEPDHQVVBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014748
O=Cc1oc(c2c1CS(=O)(=O)C2)N	PC-id_96619805	201.2	HZOAFNPXELHNDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014749
OCC(=O)c1sc(c2c1OCO2)N	PC-id_97705961	201.2	FSDYDZIJMGJKOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014750
OC(=O)c1cc2c(CCS2(=O)=O)[nH]1	EMOLS-id_337710900	201.2	WDPBMVHKNSUJDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014751
OC(=O)C1Cc2c[nH]cc2S1(=O)=O	MCULE-8341142663,PC-id_145912987,EMOLS-id_320341126	201.2	KELKSPWKWNZPIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014752
OC(=O)c1[nH]cc2c1CCS2(=O)=O	MCULE-4506157046,ZINC22_108270752,EMOLS-id_50501300,PC-id_112545400	201.2	FJWBXJUHEGOXNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014753
O=C(O)[C@@H]1Cc2c[nH]cc2S1(=O)=O	ZINC22_1857778177	201.2	KELKSPWKWNZPIC-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014754
O=C(O)[C@H]1Cc2c[nH]cc2S1(=O)=O	ZINC22_1857778848	201.2	KELKSPWKWNZPIC-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014755
S1(=O)(=O)Cc2c(c([nH]c2)C(=O)O)C1	MCULE-1736891492,PC-id_85771748	201.2	MTWQIZFEAMDSGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014756
S1(=O)(=O)Cc2c(onc2C(=O)C)C1	PC-id_82397345	201.2	CAZFRSPCJAPEBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014757
S1(=O)(=O)Cc2[nH]c(cc2C1)C(=O)O	PC-id_84776147	201.2	VAMXNJFAECGMCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014758
[O-]c1n(c(c2c1C(=C(C2=O)C#N)C)C)C	PC-id_23569806	201.201	WCETZNQRSJFJNM-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-014759
C1CS(=O)(=O)c2nc(cn12)C(=O)N	SCHEMBL15486291,PC-id_89978905	201.203	KXVIVZCEWVYKAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014760
Cc1nn(C)c2c1S(=O)(=O)NC2=O	EMOLS-id_324068298,ZINC22_714623647,MCULE-9146625631,PC-id_146155692	201.203	GVLSEVNRFXNMAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014761
OCC1Cn2cc(nc2S1)[N+](=O)[O-]	MCULE-7819117159,EMOLS-id_317502307,PC-id_137628733	201.203	DPOYRQMCTUUCSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014762
S1(=O)(=O)c2n(C(=O)C1)c(nc2N)C	PC-id_86191741	201.203	HHXSWUPFSHBLGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014763
S1(=O)(=O)CCn2nc(nc12)C(=N)N	PC-id_83677849	201.206	WUPPDRTUUUWLGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014764
CC1CCc2c1c(N)nn2CC(F)F	MCULE-7784205812,EMOLS-id_330965746	201.216	LGPRXMDZUWDQEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014765
CC1CCc2nn(CC(F)F)c(N)c12	MCULE-7382496615,EMOLS-id_331015844	201.216	QHVMJJYANHHSMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014766
CC(CNC1CCn2c1ncc2)(F)F	MCULE-5186919455	201.216	DFTWFPGKHKZJPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014767
CC(N)(C(F)F)c1n[nH]c2CCCc12	MCULE-3015704862,EMOLS-id_314014012	201.216	NEJOEPXQEIKRLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014768
FC(CNC1CC(n2c1ncc2)C)F	EMOLS-id_107354111	201.216	QDTDORZZQUXOSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014769
FC(C(NC1CCn2c1ncc2)C)F	EMOLS-id_266128021	201.216	OMOOHGITRYKUSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014770
FC(CNCc1n[nH]c2c1CCC2)F	EMOLS-id_313547850	201.216	ACULQRBFHBPKEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014771
n1(CC(F)F)c(CN)c2c(CCC2)n1	EMOLS-id_317868027,MCULE-2910507041	201.216	OJJOZCSWEVILFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014772
Nc1nn(c2c1C(F)(F)CC2)C(C)C	PC-id_105453377	201.216	YTBJFJHHISZDNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014773
NCc1nn(c2c1C(F)(F)CC2)CC	PC-id_105453378	201.216	CGGMIARZVSNBFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014774
NC(Cc1n[nH]c2CCCc12)C(F)F	EMOLS-id_314012988,MCULE-8544217034	201.216	ZWEYSPUNGAURPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014775
NCC(C(F)F)c1n[nH]c2CCCc12	EMOLS-id_314013246,MCULE-2463210512	201.216	ICJKQCZAUBOLIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014776
NCCC(F)(F)c1n[nH]c2CCCc12	MCULE-3959157079,EMOLS-id_314012989	201.216	XWPLREKPAAHLJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014777
NCC(F)(F)Cc1n[nH]c2CCCc12	EMOLS-id_314012986,MCULE-5009072736	201.216	MDKMJFFKYPITHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014778
OC(=O)Cc1nc2c(s1)C(CC2)F	PC-id_105453380	201.218	WJLPZYJZHNBEMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014779
S1(=O)(=O)C(c2c(C1)coc2C(=O)C)[2H]	PC-id_10262215	201.218	RDWBOKGEDHCNBQ-QYKNYGDISA-N	00000010100000000000000010000000000000000000000000000000	25-01-014780
S1(=O)(=O)Cc2c(C1)coc2CCN	PC-id_82607803	201.243	SRZTWWFHHPPLHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014781
S1(=O)(=O)Cc2c(C1)coc2C(N)C	PC-id_82607802	201.243	UJSYAYYLINIOKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014782
S1(=O)(=O)Cc2c(oc(c2)CCN)C1	PC-id_84776269	201.243	RNHYOMQCGZRBJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014783
S1(=O)(=O)Cc2c(oc(c2CN)C)C1	PC-id_84776266	201.243	DMSVHIOBOOVZLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014784
c1(c(C)nc2CCCn12)S(=O)(=O)N	EMOLS-id_50279320,PC-id_122199022,MCULE-8646721942	201.246	FPZWJTNWDUJMNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014785
Cc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL17232789,PC-id_118491752	201.246	TYMLGZNQLQWASN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014786
CCn1nc2c(c1N)CS(=O)(=O)C2	PC-id_105453538	201.246	RTRPGOMAIGIYPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014787
CCn1nc(c2c1CS(=O)(=O)C2)N	PC-id_105453533	201.246	FJLDJQVPMAJBDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014788
CCS(=O)(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_97227873,MCULE-2031356472	201.246	CAIXRYDKGGZGGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014789
CCS(=O)(=O)N1CCn2c1ccn2	EMOLS-id_114650162	201.246	SYIJQHQKXQMIED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014790
CCS(=O)(=O)n1nc2c(c1)CNC2	SCHEMBL18760085	201.246	MVULCVXAVCCIBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014791
Cn1c2CNCc2nc1S(=O)(=O)C	PC-id_118614465,SCHEMBL17380739	201.246	MPQANMABMHMPJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014792
CN1Cc2c(C1)cn(n2)S(=O)(=O)C	SCHEMBL15161199,PC-id_89729893	201.246	ZRPSQAXZABDYJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014793
Cn1c(S(=O)(=O)N)c2c(CCC2)n1	MCULE-1185091573,EMOLS-id_114650122	201.246	TYVKAIJTLDWNIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014794
CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_114650032	201.246	VOWVBSFXLDOTLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014795
NCc1n(C)nc2c1CS(=O)(=O)C2	PC-id_105453539	201.246	ZLSCJEJUMJKRII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014796
NCc1nn(c2c1CS(=O)(=O)C2)C	PC-id_105453534	201.246	SBUPXPAMHCBIJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014797
NS(=O)(=O)Cc1cnc2CCCn12	EMOLS-id_207593956,MCULE-3871835022	201.246	PAWIOXXRSUMKIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014798
NS(=O)(=O)Cc1n[nH]c2CCCc12	EMOLS-id_314019523,MCULE-2045841686	201.246	UTYLVKYDMKFADK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014799
ON1Cc2c(C1)nc(n2C)S(=O)C	PC-id_118613854,SCHEMBL17380110	201.246	VNPLQRNHBDMKHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014800
S1(=O)(=O)CCn2c1nc(c2)CNC	PC-id_82658507	201.246	MWAVJHURBLMYSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014801
S1(=O)(=O)CCn2nc(cc12)CCN	PC-id_82658508	201.246	WTOSRMNSVDRTLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014802
c12CSCc1nn(CCF)c2CN	EMOLS-id_324397149,MCULE-8732425333	201.264	MNCNOHAQICFSDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014803
CCC/C=C(/c1oc2=CCC=c2n1)C=C	PC-id_143037416	201.264	BXEBETRHBMILPW-JXMROGBWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014804
c1(C(=O)O)c2CSCc2sc1N	SCHEMBL20340708,PC-id_135188478,EMOLS-id_331060522,MCULE-9653421779	201.266	WTPBVCPNNOHOQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014805
c1(C(=O)O)sc2CSCc2c1N	MCULE-4496918704,EMOLS-id_330870850	201.266	IQFDHXXXKDULRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014806
Cc1cc2c(s1)S(=O)(=O)N=C2C	SCHEMBL8285730,PC-id_70333847	201.266	NSFYOVMHOSDGPQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014807
Cc1sc2c(c1)S(=O)(=O)N=C2C	SCHEMBL8285757,PC-id_70333874	201.266	DASVVIBDQJFONA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014808
S1C(c2nc(sc2C1)C)C(=O)O	PC-id_82397283	201.266	MOUGWMGGMAVQPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014809
S1(=O)(=O)N(C(=C)c2c1scc2)C	PC-id_10104279	201.266	WBCKRSCPYVXDKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014810
S1(=O)(=O)N(C(=C)c2sccc12)C	PC-id_10104278	201.266	XRSOBNQRGGKHRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014811
CC1CCc2c1c(nn2CC1CC1)C#N	MCULE-4455933671,EMOLS-id_331022334	201.268	VETPAOCZIKVKPC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-014812
CC1CCc2nn(CC3CC3)c(C#N)c12	MCULE-6380414242,EMOLS-id_331004350	201.268	BUFNYQIPRRHDJY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-014813
C/C=CC=C(\n1ncc2c1CNC2)/C=C	PC-id_144283266	201.268	ZXLHSFQPADQEDP-GGKXIICKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014814
n1(CC2CCC2)nc2c(CCC2)c1C#N	EMOLS-id_324390994,MCULE-6568582075	201.268	RYIJMMSEHMVAMC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-014815
CC(=O)N1CCn2c1nsc2=S	PC-id_11117094,NSC725857	201.269	YNUFRWCZLKTCCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014816
c1(CN)c2CSCc2sc1OC	EMOLS-id_331062825,MCULE-7237004420	201.309	NYEDWUMQLXLVQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014817
S1(=O)N(c2c(C1(C)C)csc2)C	PC-id_21300188	201.309	ZRYUOCDMTHBAPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014818
S1(=O)N(c2c(scc2)C1(C)C)C	PC-id_21300185	201.309	KJHCEVXIHDTKFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014819
S1(=O)N(C(c2c1csc2)(C)C)C	PC-id_21300248	201.309	DFSAESSTSPCPJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014820
S1(=O)N(C(c2sccc12)(C)C)C	PC-id_21300244	201.309	HYDNBDDHUHJEGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014821
CCN1C(N)Sc2c1sc(c2)N	SCHEMBL5036330,PC-id_69288235	201.312	QHTSJXWZSXUZHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014822
S1C(Cn2c1nsc2=NC)(C)C	PC-id_59932015	201.312	MQQKUQKKWMLUKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014823
S=c1n2n(CCC2)c(=S)n1CC	PC-id_85657997	201.312	VNRLWGDKKYKJBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014824
Clc1c2CC[C@@H](O)c2[nH]c1C(=O)O	SCHEMBL12777396,PC-id_57659942	201.607	FGKDSDPLFVEKNX-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014825
Clc1c2CCC(O)c2[nH]c1C(=O)O	SCHEMBL8159286,PC-id_70291059	201.607	FGKDSDPLFVEKNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014826
Clc1c2C[C@@H](O)Cc2[nH]c1C(=O)O	SCHEMBL12777427,PC-id_57659821	201.607	RQOHMMVMRYRAOR-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014827
Clc1c2CC(O)Cc2[nH]c1C(=O)O	PC-id_70289717,SCHEMBL8153561	201.607	RQOHMMVMRYRAOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014828
Clc1c2[C@@H](O)CCc2[nH]c1C(=O)O	PC-id_57659973,SCHEMBL12777426	201.607	NTOSLDIVMTVPJP-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014829
Clc1c2C(O)CCc2[nH]c1C(=O)O	PC-id_70289712,SCHEMBL8153547	201.607	NTOSLDIVMTVPJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014830
Clc1[nH]cc2C(O)(CCc12)C(=O)O	PC-id_83908432	201.607	QBANPROHKZMDGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014831
Clc1oc2c(C(N)(CC2)C(=O)O)c1	PC-id_83908434	201.607	SPQBJZBCHKFHMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014832
Clc1oc2C(N)(CCc2c1)C(=O)O	PC-id_83908433	201.607	MMUVSSOZXCLMDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014833
c12c(Cl)cnn1CCN2CC(=O)O	MCULE-4495863962,EMOLS-id_323992209	201.61	RMHRQAKQTQYPOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014834
ClCOC(=O)N1Cc2c(C1)c[nH]n2	MCULE-6844609450	201.61	POCDZTZOMSQTJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014835
COC(=O)c1c(nc2n1CCN2)Cl	PC-id_137230618	201.61	MIWPMVAOVOCMEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014836
C1CN(c2cc(nn12)NC(=O)N)Cl	PC-id_88932092,SCHEMBL12532908	201.614	ZNAQUUSVLDCUCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014837
Clc1cc2c(s1)CC(=N2)C(=O)O	SCHEMBL5730902,PC-id_21920459	201.63	DQVCEEUTKOOSBF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014838
Clc1cc2c(s1)N=C(C2)C(=O)O	PC-id_140132157	201.63	XRYZUYYPFGDGHG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014839
ClC(=O)c1cc2c(s1)C(=O)NC2	PC-id_56613297,SCHEMBL11224036	201.63	QJFWTXJIQFCSKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014840
ClC(=O)N1Cc2c(scc2)C1=O	PC-id_45081846	201.63	MOADYMDUIZDSPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014841
OC(=O)C1=Nc2c(C1)c(cs2)Cl	PC-id_142650821	201.63	OAPPRHCXRWSIQG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014842
Brc1oc2C(N)CCc2c1	PC-id_83908454	202.049	MFHFHCRRKARWOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014896
CC1Cc2c(C1(N)CO)cc(o2)Cl	PC-id_112715606	201.65	KZDRVAJIZJXSBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014843
CC1Cc2c(C1(N)CO)oc(c2)Cl	PC-id_112715605	201.65	JFEQMKURJUAHGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014844
CC1Cc2c(C1(O)CN)oc(c2)Cl	PC-id_112715603	201.65	GDALXGMVOHFANR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014845
Clc1oc2c(C(O)(CC2)CCN)c1	PC-id_83908438	201.65	ZMEGUMMCNRIYQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014846
Clc1oc2C(O)(CCc2c1)CCN	PC-id_83908437	201.65	MFIJIQCFYCTHCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014847
o1c2CC(C)C(CN)(O)c2cc1Cl	PC-id_112715604,MCULE-9675163154	201.65	MQDUSIFEVHWGSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014848
NCC(c1c(Cl)nc2n1CCC2)O	PC-id_112545909	201.653	AYZADRBNLVTMJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014849
NCC(c1nc2n(c1Cl)CCC2)O	PC-id_112545911	201.653	XTHNKZXELCKJKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014850
OCC(c1c(Cl)nc2n1CCC2)N	PC-id_112545908	201.653	KAHYKOVXUXJMBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014851
OCC(c1nc2n(c1Cl)CCC2)N	PC-id_112545910	201.653	ZVEBWTBDLYCBTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014852
c12CN(Cc1sc(Cl)c2C=O)C	EMOLS-id_331065129,MCULE-2354154066	201.673	ZIXFRZWFWXMFHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014853
c1(C(=O)N)c2CCCc2sc1Cl	MCULE-2617651397,EMOLS-id_331063079	201.673	OJVOLCIYUZALHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014854
c1(C(=O)N)c(Cl)c2c(CCC2)s1	EMOLS-id_330871104,MCULE-8811538358	201.673	WNEDWEBUKLYQAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014855
CC1Cc2c(C1=NO)sc(c2)Cl	SCHEMBL9866519,PC-id_21815344	201.673	QDMSXFIUDUPMTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014856
Clc1sc2C(CC(=O)c2c1)CN	PC-id_84049325	201.673	SFCMDLHNZCTAAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014857
Clc1sc2C(N=O)C(Cc2c1)C	PC-id_53735435	201.673	CQVKUGZAZWZGNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014858
CON=C1CCc2c1cc(s2)Cl	EMOLS-id_114652218	201.673	WDSHKMBBAMHMEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014859
c12CSCc1sc(C#N)c2Cl	EMOLS-id_330872899,MCULE-8948920533	201.696	KPHHLSKJDAIEJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014860
c1(C#N)c2CSCc2sc1Cl	EMOLS-id_331060012,MCULE-4488987305	201.696	DJUNGWHHPGALBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014861
c12CCCc1sc(CNC)c2Cl	EMOLS-id_330871360,PC-id_84776624,MCULE-7031790249	201.716	HDDIFEYRVHJEHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014862
c1(CNC)c2CCCc2sc1Cl	EMOLS-id_331059240,MCULE-5769099893	201.716	IXGCHXIAKUKZBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014863
CC1Cc2c(C1CN)cc(s2)Cl	PC-id_112715610	201.716	HQJIFPCBKVKHFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014864
CC1Cc2c(C1CN)sc(c2)Cl	PC-id_112715609	201.716	DIZHFVFIHJXYDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014865
CCC1CCc2c1c(N)c(s2)Cl	PC-id_114749339,EMOLS-id_96535233	201.716	IKYWSJUPXHSEOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014866
CC(C1CCc2c1nc(s2)Cl)C	PC-id_58125185,SCHEMBL12862804	201.716	QRHYTPDAGYRKOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014867
CCNC1CCc2c1cc(s2)Cl	EMOLS-id_96577135,PC-id_81251488	201.716	RGOTZNNMLBPMLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014868
Clc1c2CCCc2sc1CCN	PC-id_84776632	201.716	LLLGLACYFLSUOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014869
Clc1c2C(CCc2sc1)CNC	PC-id_53239194,SCHEMBL2037117	201.716	FFYSKGQMTMUMEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014870
Clc1c2CCCc2sc1C(N)C	PC-id_84776631	201.716	IZZJIXXFVOWTRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014871
Clc1sc2c(c1N)C(CC2)(C)C	PC-id_121599892,EMOLS-id_96535248	201.716	VCYDHXQNNPRNJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014872
Clc1sc2C(CCc2c1)CCN	PC-id_83908443	201.716	UHGYLXILYSCTCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014873
Clc1sc2C(CCc2c1)C(N)C	PC-id_83908445	201.716	HTSAQGQZSNLNTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014874
Clc1sc2C(CCc2c1)CNC	PC-id_83908447	201.716	AONQGUKEFQUMMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014875
Clc1sc2c(C(CC2)CCN)c1	PC-id_83908444	201.716	GUIYWSFJHBSBNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014876
Clc1sc2c(C(CC2)C(N)C)c1	PC-id_83908446	201.716	AJFFHOWRRMFRRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014877
Clc1sc2c(C(CC2)CNC)c1	PC-id_83908448	201.716	WAOYBJXWNKTXSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014878
ClCc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42571295,PC-id_79863045	201.716	AFMHSDPNHRLUPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014879
CNC1C(C)Cc2c1cc(s2)Cl	PC-id_112715612	201.716	DUDICPXCHYJOKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014880
NCc1c(Cl)sc2c1C(C)CC2	PC-id_114748587,EMOLS-id_96535366	201.716	NBOKGOCZDWZYSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014881
s1c2C(NC)C(C)Cc2cc1Cl	PC-id_112715611,MCULE-5479111667	201.716	UAXZRWADSIOWTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014882
Brc1cc2C(=O)NCc2o1	EMOLS-id_336511687,PC-id_141128152	202.005	ZMJXCXDRPJNICR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014883
Brc1oc2c(c1)C(=O)CN2	PC-id_98011357	202.005	XJFWHNOJUZLSEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014884
Brc1oc2c(CNC2=O)c1	PC-id_82397212	202.005	XLMJLYGIQWLGCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014885
Brc1occ2c1CNC2=O	PC-id_82608036	202.005	LULJFEWLYYGCJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014886
Brc1occ2CNC(=O)c12	PC-id_82608037	202.005	KMDXRESMPFGHGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014887
Brc1cnc2n1CC(=O)N2	PC-id_105454040	202.009	ZYXVGRATUNMDPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014888
Brc1[nH]c2CNC(=O)c2n1	PC-id_83669582,SCHEMBL16268454	202.009	LXOFIJXCGFKXOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014889
C1c2c(NC1=O)nc([nH]2)Br	PC-id_89715111,SCHEMBL15142473	202.009	OZUJJQZIRLULPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014890
C1C(=O)Nc2c(cnn12)Br	PC-id_136300721	202.009	NMYYHTFEABPTQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014891
Brc1c2c([nH]c1C)COC2	PC-id_84776638	202.049	BCJHZHSILORJHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014892
Brc1c2c(oc1C)CNC2	PC-id_84776637	202.049	YXAXSOZSDNDNAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014893
BrCc1noc2c1CCC2	PC-id_80463584,EMOLS-id_96285583	202.049	XOBPOONTCJSXNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014898
Cn1c(Br)cc2c1CCO2	PC-id_96240613	202.049	KBLUJVBWWPPPAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014899
Cn1cc2c(c1Br)CCO2	PC-id_96240614	202.049	HPANEJHVBFICNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014900
CN1CCc2c1c(Br)oc2	PC-id_96619516	202.049	YQRUBMGMBVPVJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014901
Brc1n(C)nc2c1CNC2	PC-id_105454054	202.052	OAFHOEAZWSRXDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014902
Brc1nn(c2c1CNC2)C	PC-id_105454053	202.052	FYAZTOGMFLQLJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014903
Brc1n[nH]c2CCC(N)c12	PC-id_83908456	202.052	HCCGADBWIKYSLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014904
BrCc1nnc2CCCn12	EMOLS-id_277308863,MCULE-7088111665,PC-id_146013075	202.052	WWTAIYPISRMBRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014905
c12CC(N)Cn1c(Br)cn2	MCULE-7968924545,EMOLS-id_317731931,PC-id_84670418	202.052	FNZOBVYUIXQUSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014906
c12N(C)CCn1nc(Br)c2	MCULE-6985863808,EMOLS-id_317867761	202.052	SQGRWHJUFPHISG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014907
c12N(C)CCn1ncc2Br	PC-id_83819465,EMOLS-id_208053551,MCULE-9394473386	202.052	WMZMFGZVTIQWJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014908
c12NCCn1nc(C)c2Br	PC-id_136328615,MCULE-4363589494,EMOLS-id_317869041	202.052	USIVGHUCESFCKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014909
c1(N)c2CCCn2nc1Br	EMOLS-id_317769851,MCULE-3147578881	202.052	FQRWOSNDZUXFNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014910
CC1CN2C(=C(C=N2)S(=N)(=O)N)O1	PC-id_165370448	202.052	TXUYWIIJLZBHMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014911
CN1Cc2c(C1)[nH]nc2Br	PC-id_105454052	202.052	XGGJQTRGXNMHJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014912
Nc1[nH]c(c2c1CNC2)Br	PC-id_98760663	202.052	JGSGCRASKYRJFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014913
Nc1nn2c(c1Br)CCC2	PC-id_105454046	202.052	HEGYVMVOWPKLQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014914
N[C@H]1Cc2ncc(Br)n2C1	EMOLS-id_337379190	202.052	FNZOBVYUIXQUSB-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014915
C[C@H]1CCC2=C1C=C(S2)C(C)(F)F	PC-id_161224056	202.063	ZUKXRSMNLXHMEW-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-014916
O=[Se]1(=O)C=Cc2c1cc[nH]2	PC-id_141375373	202.069	UPQCTHGMGNPMML-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014917
c12n[nH]nc1N=N/C/2=NS(=O)(=O)O	PC-id_136458116	202.151	TVCMPAUWCJSIPO-BAQGIRSFSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014918
n12CC(Cc1cc(CC(=O)O)n2)(F)F	MCULE-9015137109,EMOLS-id_317876221	202.158	ZHAWMAWOGYTXAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014919
n12CC(Cc1c(cn2)CC(=O)O)(F)F	MCULE-5539834366,EMOLS-id_317876733	202.158	IUJJTUJHHIJEFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014920
OC(=O)c1c(nn2CCCc12)C(F)F	EMOLS-id_336489426,MCULE-2859581913	202.158	UFAWICWTZQZLRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014921
OC(=O)c1nc2CCCn2c1C(F)F	MCULE-3070495184,EMOLS-id_336489170	202.158	BIUSYHKIGKFBSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014922
OC(=O)C(F)(F)c1cnc2CCCn12	MCULE-3116521136,EMOLS-id_259660175	202.158	TUKWWIHUUGIRIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014923
OC(=O)C(F)(F)c1n[nH]c2CCCc12	EMOLS-id_314015033,MCULE-8768151362	202.158	IITMOTURRBEIIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014924
OC1C(n2nnnc2C1O)C(O)CO	PC-id_78191570	202.168	PAFRGXFLKFYSIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014925
OC[C@H]([C@H]1[C@H](O)[C@@H](c2n1nnn2)O)O	PC-id_101710785	202.168	PAFRGXFLKFYSIB-STGXQOJASA-N	00000010100000000001000010000000000000000000000000000000	25-01-014926
O[C@H]1[C@H](n2nnnc2[C@H]1O)[C@H](O)CO	PC-id_483389	202.168	PAFRGXFLKFYSIB-MBMOQRBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014927
O[C@H]1C(n2nnnc2[C@H]1O)[C@H](O)CO	PC-id_10035733	202.168	PAFRGXFLKFYSIB-MQWZILJXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014928
S1CCn2c1npc2C(=O)OC	PC-id_15666170	202.171	HDRMGXQGJIXMAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014929
o1c(C=NC2n3ncnc3N=N2)ccc1	PC-id_24869366	202.173	UEJDAIUQFZCAHG-UHFFFAOYSA-N	00000011101000000001000010000000000000000000000000000000	25-01-014930
Cc1cc2c(s1)C(=O)C(C2=O)(F)F	SCHEMBL12973009,PC-id_59601127	202.178	OCCHEBWHOYXVNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014931
Cc1scc2c1C(=O)C(C2=O)(F)F	SCHEMBL12394124,PC-id_68257793	202.178	CBYHFYNOBPVMME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014932
OC(=O)c1c2c(CS(=O)(=O)C2)oc1	MCULE-8095581181,EMOLS-id_313529391,ZINC22_1535639615	202.185	VTTXUTRJEGANSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014933
S1(=O)(=O)Cc2c(C1)coc2C(=O)O	PC-id_84014911	202.185	JPMIFRUEIVIJHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014934
S1(=O)(=O)Cc2c(oc(c2)C(=O)O)C1	PC-id_84776671	202.185	UNCOQUXSDKQIJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014935
OC(=O)c1c2c(CS(=O)(=O)C2)n[nH]1	PC-id_44441325,CHEMBL247122,MCULE-9206783115,EMOLS-id_49437160,ZINC22_28948772	202.188	WOCPXJNFAGSZGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014936
S1(=O)(=O)CCn2nc(cc12)C(=O)O	PC-id_82658564	202.188	SQSFRXKHYCLSCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014937
CC1CCc2c1c(O)nn2CC(F)F	MCULE-8334124788,EMOLS-id_330960635	202.201	MLXBDLQTJYGRNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014938
CC1CCc2nn(CC(F)F)c(O)c12	MCULE-6104440595,EMOLS-id_331008174	202.201	WQMBUEJCAXVPGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014939
n1(CC(F)F)c2CCCc2c(CO)n1	EMOLS-id_324388180,MCULE-2304674021	202.201	PLERWDVRXVJLRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014940
OCc1nn(c2c1C(F)(F)CC2)CC	PC-id_105454142	202.201	JVQUVCUDSQHZCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014941
OCCC(F)(F)c1n[nH]c2CCCc12	MCULE-4366567116,EMOLS-id_314009911	202.201	KTAYYAJDNWUDKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014942
c12c(CN)cnn1CCN2CC(F)F	MCULE-6153552733,EMOLS-id_317862655	202.204	SKVWCRFLPLZAIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014943
c12cc(nn1CCN2CC(F)F)CN	MCULE-3355897375,EMOLS-id_317877492	202.204	LCPCIZKNDIMHNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014944
FC(CC(c1nnc2n1CCC2)N)F	EMOLS-id_266165888	202.204	SOPNTZZVNUCBNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014945
FC(F)C(=O)c1cc2CCCc2s1	EMOLS-id_313986626,MCULE-4042075601	202.221	RPKHGDWVWAUHEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014946
S1(=O)(=O)C(c2c(C1[2H])coc2C(=O)C)[2H]	PC-id_10241942	202.224	RDWBOKGEDHCNBQ-NMQOAUCRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014947
CCn1[nH]c2c(c1=O)CS(=O)(=O)C2	PC-id_105454265	202.231	JBTXOWAZVVZTFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014948
CCn1[nH]c(=O)c2c1CS(=O)(=O)C2	PC-id_105454261	202.231	CYLPMNNWTUABLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014949
COc1n(C)nc2c1CS(=O)(=O)C2	PC-id_142056587	202.231	KTMRAZTWFXGAKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014950
CS(=O)(=O)Nc1onc2c1CCC2	EMOLS-id_107174609	202.231	NOBOCVXAVSOLDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014951
CS(=O)(=O)O[C@H]1Cn2c(C1)ncc2	PC-id_139745504	202.231	WNNCPTGQKYIVKN-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014952
S1(=O)(=O)CCn2c1nc(c2)CCO	PC-id_83674588	202.231	GVLPPZITVWEYPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014953
S1(=O)(=O)CCn2nc(cc12)CCO	PC-id_83674586	202.231	QIXFLVVJTBLUKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014954
c1(cnn2CCN(C)c12)S(=O)(=O)N	EMOLS-id_317866225,MCULE-8367771680	202.234	KQLCVCDJKDRBGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014955
CNS(=O)(=O)N1Cc2c(C1)c[nH]n2	MCULE-7466340365	202.234	XZNAXOSQRWRRQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014956
CS(=O)(=O)c1nn2CCNc2c1N	SCHEMBL1073989,PC-id_136337826	202.234	MDOPOPCFRDCEFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014957
NN1Cc2c(C1)cn(n2)S(=O)(=O)C	PC-id_71181674,SCHEMBL14476661	202.234	HAYVGYZKEWCQMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014958
NN1Cc2c(C1)cnn2S(=O)(=O)C	SCHEMBL14476777,PC-id_71181727	202.234	ITTRQCDAKLOFKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014959
S1(=O)(=O)CCn2nc(nc12)CCN	PC-id_82658582	202.234	JVJKGENHQTVKOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014960
O=C(O)c1cc2c(s1)C[S@](=O)C2	ZINC22_238636469	202.251	CFWHWMPELVHFHM-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014961
O=C(O)c1cc2c(s1)C[S@@](=O)C2	ZINC22_238636500	202.251	CFWHWMPELVHFHM-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014962
OC(=O)c1cc2CS(=O)Cc2s1	EMOLS-id_49437176,MCULE-3148867492	202.251	CFWHWMPELVHFHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014963
S1Cc2c(sc(c2O)C(=O)O)C1	PC-id_54699165	202.251	AQIGFYJMKIZFCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014964
Cc1ccc([nH]1)Cc1[nH]cc2c1OCC2	PC-id_142016201	202.252	QTEZALMPFZFDQA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-014965
C/C(=CC=C/C=C)/C1COc2n1ccn2	PC-id_142091421	202.252	VBKODZAKUPNQDY-VWJYOPCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014966
C=C/C=CC(=C/C)c1nn2c(c1)OCC2	PC-id_145164713	202.252	XBXDZMYNNYOXLI-QYONPMAVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014967
S1C(Cc2nnsc12)C(=O)OC	PC-id_15307244	202.254	KSXFXXXCAVUJKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014968
Cn1nc(Cn2cccc2)c2c1CNC2	EMOLS-id_44369900,ZINC22_96259177,PC-id_97519263	202.256	IOYJJUCDRCALKX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-014969
n12CCCc1nnc2Cc1n(ccc1)C	PC-id_2408848	202.256	RXCCSMJRDLPAKN-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-014970
n12CC(=C(c1nnc2C)C#N)C(C)(C)C	SCHEMBL2267696,PC-id_17885967	202.256	ZREYHOXPQRKSQK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014971
n12cc(C(C)(C)C)c(c1N=NC2C)C#N	PC-id_67341192,SCHEMBL2267700	202.256	WXUJEMLOHJXKQN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-014972
n12ncnc1C(C(C2)(C)C(=C)C)CC#N	PC-id_21827481	202.256	HVJNAMKYFUTKDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014973
n1(CC2CCC2)nc2c(CNC2)c1C#N	EMOLS-id_324357735,MCULE-7091553563	202.256	MXCKSDFHBFIODB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-014974
N#Cc1c2[N]N[C](n2cc1C(C)(C)C)C	SCHEMBL19547305	202.256	GEVDCTXCDWBVBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014975
CC(=O)OC1C[n+]2c(S1)scc2	PC-id_110179600	202.274	JUYQDNLKYFVEBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014976
c1(CO)c2CSCc2sc1OC	EMOLS-id_331062569,MCULE-1567398486	202.294	NSKQXWWACJQOFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014977
S1(=O)(=O)Cc2c(C1)c(sc2C)C	PC-id_11084903	202.294	TYDRLVWOHPVOGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014978
S1(=O)(=O)CC(c2c1csc2)(C)C	PC-id_21300173	202.294	UBWSLMAKZFNKRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014979
S1(=O)(=O)CC(c2sccc12)(C)C	PC-id_21300178	202.294	OPRZENVAFPDBKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014980
CCC(=C)c1c2CCCn2c(c1C)N=C	PC-id_139444936,SCHEMBL21307755	202.295	FNBRYUCCSMZVQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014981
N#C[C@@]1(C)CC(c2c1c(C)[nH]c2C)(C)C	PC-id_93514047	202.295	DQFQNXHAYJOCFW-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014982
N#C[C@]1(C)CC(c2c1c(C)[nH]c2C)(C)C	PC-id_93514048	202.295	DQFQNXHAYJOCFW-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014983
N#CC1(C)CC(c2c1c(C)[nH]c2C)(C)C	SCHEMBL11339063,PC-id_12369109	202.295	DQFQNXHAYJOCFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014984
CC(c1cc2n(n1)CCO2)SS	SCHEMBL21126216,PC-id_138744765	202.297	ZFDCOMRHFNKHHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014985
C=CCC1=Cc2c(C1)cc(s2)CC=C	SCHEMBL7693323,PC-id_70164405	202.315	XNNSIAGUCUMVIX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014986
C=CCC1=Cc2c(C1)sc(c2)CC=C	PC-id_70164631,SCHEMBL7693836	202.315	FLCCHEZGNWGVIG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-014987
Clc1oc2CCC(O)(c2c1)C(=O)O	PC-id_83908510	202.592	LCXLQLZHJWRGOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014988
Clc1oc2C(O)(CCc2c1)C(=O)O	PC-id_83908509	202.592	ZTWLMWMJECASAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014989
Clc1c2OCCn2nc1CC(=O)O	PC-id_84040259	202.595	BCXJEKDJNSPMOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014990
Clc1c2OCC(n2nc1C)C(=O)O	PC-id_84671074	202.595	MRNKLQNHIXLMBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014991
c12C(C)CCc1n(nc2Cl)CCF	MCULE-2513558227,EMOLS-id_330975229	202.656	NPLJGEAGBNLRRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014992
c12C(C)CCc1nn(CCF)c2Cl	MCULE-2354496759,EMOLS-id_330957503	202.656	FPXHYYFUZLVZDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-014993
c1(C(=O)O)c2CCCc2sc1Cl	MCULE-8133969440,EMOLS-id_96217818,PC-id_112698959	202.658	UQSPAQAWCDRYOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014994
c1(C(=O)O)c(Cl)c2c(CCC2)s1	PC-id_83668276,MCULE-4415455210,EMOLS-id_330869839	202.658	IRBBCALDCWGONZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014995
Clc1sc2C(CCc2c1)C(=O)O	PC-id_82647643	202.658	IYHUPGVPUSQTBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014996
Clc1sc2CCC(c2c1)C(=O)O	PC-id_83908511	202.658	RTDQTQZUXRNDFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014997
c1(C(=O)N)c2CNCc2sc1Cl	EMOLS-id_331064110,MCULE-8454145719	202.661	LLFWUPDRXYAIHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014998
c1(CCl)c2CCCc2sc1OC	MCULE-1429722314,EMOLS-id_331060774	202.701	ZVNRPAAVFJYMNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-014999
c12CN(Cc1sc(Cl)c2CN)C	EMOLS-id_331065641,MCULE-2963397678	202.704	YTRJMCQBTCNHEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015000
c12CN(Cc1sc(CN)c2Cl)C	MCULE-7140232103,EMOLS-id_330870855	202.704	CFFDVANLTMIFOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015001
c12CN(Cc1sc(N)c2CCl)C	MCULE-6116591096,EMOLS-id_331064104	202.704	RFQFNCPRKSOEAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015002
c1(CNC)c2CNCc2sc1Cl	EMOLS-id_331064366,MCULE-4336425244	202.704	XORDRPBTQGJMHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015003
CCCn1nc2c(c1Cl)CSC2	PC-id_83193152,EMOLS-id_107604846	202.704	PXMQTXVBWLEDSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015004
CC(n1nc2c(c1Cl)CSC2)C	EMOLS-id_114655561,PC-id_59050137	202.704	CINBNLNKMRQILF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015005
C12=C(NC(=C1C(=O)NC2=N[Al])[Al])O	PC-id_164100751	202.986	PYPYMMRZZBGEQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015006
Brc1noc2CNC(=O)c12	PC-id_84040280	202.994	RUIWEOKKVBRZSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015007
c12c([nH]c(c1C(=N)N=C2Cl)Cl)N	PC-id_137242960	203.029	ALSIQAOPLSPSMN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015008
Brc1c2c(oc1C)COC2	PC-id_84777029	203.033	SNZMLRJWMCMHMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015009
CC1COc2c1coc2Br	PC-id_112487984	203.033	PRLSJOPQKGGUMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015010
Brc1c2OCCn2nc1C	PC-id_84040281	203.037	ORBCGJMVQIIJPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015011
Brc1cnn2CC(C)Oc12	EMOLS-id_337121787,MCULE-9675243281	203.037	YLFRHIOGCQCFOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015012
Brc1cnn2C(C)COc12	MCULE-7557455515,EMOLS-id_337125115	203.037	CWWBIAYLVMJDGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015013
c12COCc1nn(C)c2Br	PC-id_105454945,EMOLS-id_317870839,MCULE-9811374543	203.037	PFPMKIADVXYCHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015014
CC1Cn2cc(Br)nc2O1	PC-id_11413028,EMOLS-id_109829058	203.037	BHAVDARVJDCGGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015015
C[C@H]1Cn2ncc(Br)c2O1	ZINC22_2088617681	203.037	YLFRHIOGCQCFOY-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015016
C[C@@H]1Cn2ncc(Br)c2O1	ZINC22_2088617682	203.037	YLFRHIOGCQCFOY-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015017
C[C@H]1COc2c(Br)cnn12	ZINC22_2088617662	203.037	CWWBIAYLVMJDGI-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015018
C[C@@H]1COc2c(Br)cnn12	ZINC22_2088617663	203.037	CWWBIAYLVMJDGI-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015019
Cn1nc(Br)c2COCc12	PC-id_72218284,EMOLS-id_261521900	203.037	QTOLGCFRSYJKLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015020
n12CCC(O)c1ncc2Br	EMOLS-id_317664443,MCULE-6110788580	203.037	YOFCDPDGCOHNDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015021
Nc1oc(c2c1CNC2)Br	PC-id_98760676	203.037	BIFOIDGICONAEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015022
O[C@@H]1CCn2cc(Br)nc12	EMOLS-id_337430488	203.037	OTLPMMIVZYZWNN-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015023
O[C@H]1CCn2cc(Br)nc12	EMOLS-id_337431000	203.037	OTLPMMIVZYZWNN-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015024
Cc1[se]c(c2c1OCO2)C	PC-id_140781608	203.097	DMZNWQWSJCAKKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015025
Brc1cc2CCCc2s1	ZINC22_82326487,EMOLS-id_64019821,PC-id_71670914,MCULE-5177257425	203.099	LBNYJOKDKDOPDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015026
Brc1csc2CCCc12	MCULE-2234867327,PC-id_71670901,SCHEMBL16297464,EMOLS-id_337648378	203.099	VQZKWTNTQNGNTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015027
Brc1scc2CCCc12	PC-id_82396989	203.099	VVZMRVMUHBQRCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015028
C1C(=O)c2c([Se]1)ccs2	PC-id_135076304	203.12	JIOWAFSMUAWGRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015029
CC1Cc2c[se]cc2S1	SCHEMBL12079821,PC-id_88876767	203.163	PENRLXNZPJWKKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015030
CC1CSc2c1c[se]c2	SCHEMBL12079822,PC-id_88876768	203.163	JRURWADJJHPCCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015031
[Se]1C(Cc2c1scc2)C	PC-id_15121956	203.163	OJJPJCJYUZKJPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015032
C=C(C(F)(F)F)c1cnn2c1NCC2	EMOLS-id_263821450	203.164	WTANNJGRQHWBRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015033
S1(=O)(=O)Cc2c(C1)coc2[N+](=O)[O-]	PC-id_11805792	203.173	MUKOCGCFUVQWQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015034
S1(=O)(=O)Cc2c(onc2C(=O)O)C1	PC-id_82396983	203.173	WPGCSCKHWRCCSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015035
[O-][N+](=O)c1cnc2n1CCS2(=O)=O	NSC355026,PC-id_337336,LI_72466,CoCoCo_5619137	203.176	RQNUDAFCGARECH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015036
[O-][N+](=O)c1ncn2c1S(=O)(=O)CC2	PC-id_337338,LI_72467,CoCoCo_5619139,NSC355028	203.176	POPHECSHFYVFSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015037
S1(=O)(=O)CCn2nc(nc12)C(=O)O	PC-id_82658745	203.176	KBRCLMIXANDNLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015038
s1c(c2c(C(=O)NC2=O)c1C#N)C#N	PC-id_24972760	203.177	WVQQYDGGSZWOBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015039
c12cc(nn1CCN2CC(F)F)CO	EMOLS-id_317876980,MCULE-7785396995	203.189	XDFCSVUXMZBGFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015040
c12c(CO)cnn1CCN2CC(F)F	EMOLS-id_317862143,MCULE-3580429593	203.189	QGKVWQHKYMHJHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015041
CCn1c(nc2c1CN(C2)O)C(F)F	SCHEMBL17380382,PC-id_118614117	203.189	LYCKFLNTOACEJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015042
FC(F)CCn1[nH]c2c(CNC2)c1=O	PC-id_84671281	203.189	AXXNPFQKDWMTLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015043
n1(CC(F)F)c(CN)c2c(COC2)n1	EMOLS-id_324399705,MCULE-9993540867	203.189	PALOLEMEPVZFQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015044
N#CC(=C1CCn2c1ncc2)C(=O)OC	EMOLS-id_266197603	203.197	BGLXYZXBZGVFAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015045
Cn1nc2c(c1S(=O)(=O)O)CNC2	PC-id_141422612	203.219	KPKTVKQKRYSPAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015046
CS(=O)(=O)n1cc2CN(O)Cc2n1	EMOLS-id_337740150	203.219	RAJBIHFHBCEGPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015047
NS(=O)(=O)Oc1n[nH]c2CCCc12	EMOLS-id_314017987,MCULE-5476713798	203.219	BSNVPZQTLBDRSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015048
S1(=O)(=O)CCn2nc(nc12)CCO	PC-id_83674589	203.219	AMILUXDOSLMNKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015049
S(=O)(=O)(OC1CCn2ncnc12)C	PC-id_11820187	203.219	NPNYDYGMYYCQEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015050
S(=O)(=O)(OC1Cn2ncnc2C1)C	PC-id_10442864	203.219	NVKICKGOTHRUBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015051
C=C/C=C/1CCc2c1cc([nH]2)C(=O)OC	PC-id_140535198	203.237	VBZHPLZXIOFMHG-XBXARRHUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015052
C=CC=C1CCc2c1cc([nH]2)C(=O)OC	SCHEMBL1003631,PC-id_87186590	203.237	VBZHPLZXIOFMHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015053
CCOC(=O)c1cc2c([nH]1)C(=CC2)C=C	PC-id_59683332,SCHEMBL14267164	203.237	TUMIWFWWIOEPGO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015054
CCOC(=O)C=Cc1ccc2n1CC=C2	SCHEMBL9532588,PC-id_54529005	203.237	YVDOQRLNWVOGNL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015055
CCOC(=O)C(=C)C1C=Cn2c1ccc2	PC-id_142629726	203.237	WHQAVDXHBFJKCU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015056
Cc1cc2C(=O)NS(=O)(=O)c2s1	SCHEMBL11048756,ZINC22_34172926,EMOLS-id_323911058,MCULE-3279295059,PC-id_13869332	203.239	LKDBZFCQBQTOMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015057
Cc1csc2C(=O)NS(=O)(=O)c12	MCULE-8637447747,EMOLS-id_208098661	203.239	CENJRPMPJPLLPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015058
CN1C(=O)c2ccsc2S1(=O)=O	EMOLS-id_48361014,PC-id_10058701	203.239	WJZTWSCDYJZETM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015059
CN1C(=O)c2sccc2S1(=O)=O	MCULE-1449038379,EMOLS-id_48361010,PC-id_10058700	203.239	WUQLGNGMRNSJNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015060
O=C1NS(=O)(=O)c2c1csc2C	PC-id_139595901	203.239	LHUVTABLXDEUNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015061
S1(=O)(=O)N(C(=O)c2c1csc2)C	PC-id_13810943	203.239	VODUBTVSLUHSRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015062
S1(=O)(=O)NC(=O)c2c1csc2C	PC-id_16640189	203.239	IZLDRJOTRWRQAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015063
S1(=O)(=O)NC(=O)c2sc(cc12)C	PC-id_16640275	203.239	HWEJYYDGHIRNBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015064
S1(=O)(=O)N=C(OC)c2c1csc2	PC-id_13810944	203.239	SSYUYOSVTSXOAP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015065
CC1CCc2c1c(C=O)nn2CCC#N	EMOLS-id_331002622,MCULE-9591390856	203.24	BVLNBOUBFVUWNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015066
CC1CCc2nn(CCC#N)c(C=O)c12	MCULE-4557614241,EMOLS-id_330987710	203.24	JRIUIJKCGBLMCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015067
CC1NCc2c1cn(n2)Cc1ccco1	PC-id_112487970	203.24	NWXLOCMHOGMZKJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-015068
Cc1n(Cc2ccco2)nc2c1CNC2	PC-id_96619978	203.24	OUZCEMINQLZRRH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-015069
NC(c1ccn2c1NCC2)c1ccco1	PC-id_112487971	203.24	FYKRDJMRQJDDJQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-015070
O=C(c1n[nH]c2c1CCC2)N1CC=CC1	EMOLS-id_324070779,ZINC22_910005126,MCULE-5169145557,PC-id_146109110	203.24	JQNHCRJWZVNEDL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015071
c1(C)ccn(Cc2n3CCCc3nn2)n1	EMOLS-id_46441220,PC-id_71833016,ZINC22_95098444,MCULE-6072220053,TIMTEC594033	203.244	ZIHQDIBPVIRJEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015072
Cc1cnn(c1)Cc1nnc2n1CCC2	MCULE-5504521078,EMOLS-id_320048625	203.244	MMGCLKKTZYBPDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015073
Cn1nc(c2c1CNC2)Cn1cncc1	PC-id_97519265	203.244	ZBVCEDQAAIOOEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015074
NC(C(F)F)c1cc2CCCc2s1	EMOLS-id_314041150,MCULE-8173493457	203.252	KPWZFQAZFADUFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015075
NCC(F)(F)c1cc2CCCc2s1	MCULE-8579551900,EMOLS-id_314040382	203.252	LCBUEDCZPSRJRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015076
s1c(SC)[n+]2CC(=O)Nc2c1O	PC-id_21205934	203.262	JZHUDBDEFDYFNL-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-015077
S(C1=C(C(=N)n2c1ccc2C)C#N)C	PC-id_71377491	203.264	BFAYUYVRFIKVOH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015078
c1(C(C)(C)C)oc2c(CCC2)c1CC#N	PC-id_83610505,MCULE-6780638866	203.28	JULZWIDOZAQYRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015079
CC(c1cc2n(c1)C(=O)C(=C2)C(C)C)C	PC-id_58310226,SCHEMBL12565981	203.28	IWDSRBWZFNHLII-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015080
CC(C1=CC(=O)n2c1ccc2C(C)C)C	PC-id_58310175,SCHEMBL12565897	203.28	YNFMYZIKBGXZRK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015081
Cc1cc2c(s1)CN(S2(=O)=O)C	PC-id_90315677,SCHEMBL15918970	203.282	QIPPPZJWHZOLGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015082
Cc1cc2c(s1)S(=O)(=O)N(C2)C	SCHEMBL15919040,PC-id_90315740	203.282	ZJKXKFJMKYALEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015083
CCc1sc2c(n1)CS(=O)(=O)C2	PC-id_68251333,SCHEMBL12343956	203.282	JQQXHSBHKAECOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015084
CCN1Cc2c(S1(=O)=O)ccs2	PC-id_70336671,SCHEMBL8293514	203.282	JSEGDTJBQCYUGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015085
CCN1Cc2c(S1(=O)=O)csc2	SCHEMBL13632827,PC-id_70954662	203.282	SMPNSTBUQVUKJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015086
CS(=O)(=O)c1scc2c1CNC2	SCHEMBL9243516,PC-id_15284970	203.282	OXLNJRTXKWKTSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015087
NS(=O)(=O)c1cc2CCCc2s1	MCULE-1212202659,PC-id_15669349,EMOLS-id_313574166	203.282	UGHFKFGALFZYLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015088
S1(=O)(=O)Cc2c(C1)csc2CN	PC-id_82608692	203.282	GFOCEWMGJWXGNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015089
S1(=O)(=O)Cc2c(snc2CC)C1	PC-id_10987345	203.282	ZWKDMOAKFYUHPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015090
S1(=O)(=O)CC(c2c1scc2)CN	PC-id_14867380	203.282	UMVKAAMVXOFLGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015091
S(=O)(=O)(c1snc2c1CCC2)C	PC-id_82396818	203.282	UQSINNJRANJLGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015092
S(=O)(=O)(N)c1scc2c1CCC2	PC-id_15669345	203.282	VONIELHUPVOHOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015093
c12CCC(C)c1c(nn2C(C)CC)C#N	MCULE-8317756953,EMOLS-id_331023617	203.283	TYXRXLCEFOMOCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015094
c1(C#N)c2C(C)CCc2nn1C(C)CC	EMOLS-id_331005878,MCULE-9446768103	203.283	GVAPLOIIKSYLNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015095
c1(C#N)c2C(C)CCc2nn1C(C)(C)C	EMOLS-id_331007408,MCULE-2818899327	203.283	QIJFSMKVROIKOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015096
CC1CCc2c1c(nn2C(C)(C)C)C#N	EMOLS-id_331025152,MCULE-6274345636	203.283	KPRBWRXRNZHCTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015097
CC(C)Cn1nc2CCC(C)c2c1C#N	EMOLS-id_331004094,MCULE-4466068979	203.283	WCDHWNLWPFCKIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015098
CC(C)Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331022078,MCULE-3008483930	203.283	MOPONBWOEWRWGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015099
n12c(c(CCCN)cc1)C(=C(C2=N)C)C	PC-id_57032283	203.283	NUUMYQZUGPDOGY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015100
C1CCC(CC1)CC1CCc2c1cc[nH]2	PC-id_141214803	203.323	WAAGFSFWOUVKJT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-015101
C/C=CCC1c2cc[nH]c2C(C1C)(C)C	SCHEMBL19752475	203.323	ZXFBWMQLHYYWMD-WAYWQWQTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015102
CCn1c2=CCC(=c2cc1C(C)(C)C)C	PC-id_143988683	203.323	SQIPJBRHPULAHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015103
ClC[C@H]1Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_73953238	203.583	AMEBFJJGPLVLCN-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015104
n12CC(Oc1ncc2N(=O)=O)CCl	MCULE-6736757418,CHEMBL346104,EMOLS-id_10385959,PC-id_468935	203.583	AQUMABWVUSQAOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015105
O=[N+]([O-])c1cn2c(n1)OC(CCl)C2	PC-id_460733,CHEMBL157883	203.583	AMEBFJJGPLVLCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015106
[O-][N+](=O)c1cnc2n1C[C@@H](O2)CCl	CoCoCo_6612455	203.583	AQUMABWVUSQAOC-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015107
[O-][N+](=O)c1cnc2n1C[C@H](O2)CCl	CoCoCo_6612456	203.583	AQUMABWVUSQAOC-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015108
[O-][N+](=O)c1ncn2CC(CCl)Oc12	PC-id_14479529,EMOLS-id_336477070	203.583	FLXSEBHPRFVTBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015109
c12NONc1[nH]c(NC(=O)CCl)n2	EMOLS-id_31521077,PC-id_43839763,MCULE-3092339958	203.586	LHMZIEOMHSNXAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015110
Clc1nc2SCCn2c1C(=O)[O-]	PC-id_36688514	203.626	GTPABNRXRIHSFE-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-015111
c1(C(=O)N)c2COCc2sc1Cl	EMOLS-id_331066912,MCULE-9539394587	203.646	QTABHSJTCLGRHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015112
c1(C(=O)O)c2CNCc2sc1Cl	MCULE-7181477903,EMOLS-id_331065901	203.646	YOSRCSDHUBACCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015113
Clc1sc2CCC(c2n1)C(=O)O	SCHEMBL1155900,PC-id_58125214	203.646	DVNGVTMQAQLWNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015114
Clc1sc2CC(Nc2c1)C(=O)O	PC-id_69546224,SCHEMBL5730906	203.646	KXYANNCQTWQNBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015115
Clc1nc2SCCn2c1C=NO	PC-id_333007	203.649	BMCOCQSQNFSYOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015116
Clc1nc2SCCn2c1/C=N/O	PC-id_9555495,NSC332715,CoCoCo_5604886,LI_187430	203.649	BMCOCQSQNFSYOJ-FPYGCLRLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015117
ClCCC1Sc2ncnn2C1=O	EMOLS-id_31521019,MCULE-5427689125,PC-id_43839730	203.649	ZHVQDVGOEZNQLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015118
ClCC[C@H]1Sc2n(C1=O)ncn2	GD-id_ZINC38700854,PC-id_93486117	203.649	ZHVQDVGOEZNQLY-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015119
ClCC[C@@H]1Sc2n(C1=O)ncn2	PC-id_93486116	203.649	ZHVQDVGOEZNQLY-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015120
NC(=O)c1c(Cl)nc2n1CCS2	PC-id_333046,NSC332756,ZINC22_11535688,CoCoCo_5604940	203.649	KJFAYXFQZZCOFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015121
O/N=Cc1c(Cl)nc2n1CCS2	CoCoCo_5604887	203.649	BMCOCQSQNFSYOJ-BAQGIRSFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015122
c12CN(Cc1sc(Cl)c2CO)C	MCULE-8860605927,EMOLS-id_331065385	203.689	RMNBOZPNSVXHRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015123
c12CN(Cc1sc(CO)c2Cl)C	EMOLS-id_330874694,MCULE-7209910496	203.689	SBEUXHDJMKHULV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015124
c1(CCl)c2CNCc2sc1OC	EMOLS-id_331066667,MCULE-9841626527	203.689	RAPOQCSAXPSEPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015125
c1(CNC)c2COCc2sc1Cl	MCULE-6114100502,EMOLS-id_331067168	203.689	OJMGVLBYVLJEFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015126
Clc1c2CCCc2sc1CNO	PC-id_84777663	203.689	OVOAQKWWQYEODB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015127
Clc1sc2c(c1N)C(OC2)(C)C	EMOLS-id_96259646	203.689	XKOZIWAIIHEDAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015128
Clc1sc2CCC(NOC)c2c1	EMOLS-id_114659199,PC-id_82706025	203.689	PBGCGHRHYSWONS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015129
Clc1sc2C(CC(O)c2c1)CN	PC-id_84049327	203.689	UYEHAKLTHHCLQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015130
Clc1sc2c(C(N)(CC2)CO)c1	PC-id_83908629	203.689	BTWAAOYZUXSMQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015131
Clc1sc2c(C(O)(CC2)CN)c1	PC-id_83908627	203.689	ULKZWJUXOVTQOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015132
Clc1sc2C(N)(CCc2c1)CO	PC-id_83908628	203.689	ICPRPKWSJVMCQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015133
Clc1sc2C(O)(CCc2c1)CN	PC-id_83908626	203.689	KFYRLZXUHJYIEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015134
ClCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96828097	203.689	OUPRYSWHJUCLJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015135
CS(=O)(=O)C1=CC2=C(O1)SCC2	PC-id_147840744	203.991	HSXNUIFXUNJPEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015136
OC1Cn2cc(Br)c[n+]2C1	ZINC22_17417450,GD-id_ZINC17417450,CoCoCo_5421993,PC-id_418579	204.045	VMISMJZLNZYZTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015137
C1C2=CNC=C2CN1C(=O)C(F)(F)F	PC-id_160681027	204.051	DIQDNDJUTJKWIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015138
CC(n1bc2c(c1)CN(C2=O)C(C)C)C	SCHEMBL12386588	204.076	GYLJUYTZAAKRMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015139
Brc1cc2c(s1)NCC2	PC-id_96618759	204.088	ODEVDHUWXJXMTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015140
Brc1nc2CCCc2s1	SCHEMBL2147098,EMOLS-id_36762144,MCULE-1496690562,PC-id_9942463,ZINC22_31772066	204.088	DMQBHCRIFUDQMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015141
Brc1[nH]c2c(CSC2)c1	PC-id_84777686	204.088	IIZUSVFPNNPDKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015142
CC(C)(CC1=CN2C=CC=C2C1)C(=O)N	PC-id_153840198	204.126	SWAQKQYAYFUBCX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015146
FC(F)(F)c1oc2c(CCC2)c1C=O	PC-id_83610545	204.146	CYOQWWPBCVMQET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015147
Cn1c2c(CCC2=O)c(n1)C(F)(F)F	PC-id_90167991,SCHEMBL15730599	204.149	OYWUNZRUKCVGTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015148
Cn1c2c(CC(=O)C2)c(n1)C(F)(F)F	SCHEMBL15730337,PC-id_90167787	204.149	XWQCCEUTBHXXEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015149
FC(F)(F)c1nn(c2CCC(=O)c12)C	PC-id_83861303,SCHEMBL15730721	204.149	DXICPGIIMHEOCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015150
FC(F)(F)C(=O)c1n[nH]c2CCCc12	EMOLS-id_314014780,MCULE-9047251490	204.149	UOUUDZDLQMZGGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015151
O(C(=O)C1c2n(nnc2)C=C1C#N)CC	PC-id_85753939	204.185	QIDVISYXBQINFL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015152
c1(C(F)(F)F)c2CCCc2n(CC)n1	PC-id_121214521,SCHEMBL20371630,EMOLS-id_70119175,MCULE-9498597458	204.192	QGKJTEDDVCVEKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015153
CC1Cc2c(C1C)c(n[nH]2)C(F)(F)F	SCHEMBL21284904,PC-id_139425187	204.192	MGURPEHDSZCDDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015154
CC1Cc2c(C1)n(nc2C(F)(F)F)C	PC-id_90167683,SCHEMBL15730230	204.192	JXACNCOAFAZHAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015155
CC1CCc2c1cnn2CC(F)(F)F	MCULE-4730815723,EMOLS-id_331022052	204.192	DQEQWNXXJKEMFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015156
CC1CCc2nn(CC(F)(F)F)cc12	MCULE-5002686176,EMOLS-id_331005095	204.192	SXTMJGCUXQPSSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015157
C[C@H]1C[C@H](c2n1nc(c2)C(F)(F)F)C	SCHEMBL19250906	204.192	SWPCIAPDDOMZPC-RITPCOANSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015158
FC(c1n[nH]c2c1CCC2(C)C)(F)F	PC-id_69174128,SCHEMBL4751180	204.192	SUAFBUGXLMDGMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015159
Cc1nc2CCCn2c1S(=O)(=O)F	EMOLS-id_208133466,MCULE-8968171141	204.222	GHBBFLIMUYLVED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015160
Cn1nc2CCCc2c1S(=O)(=O)F	EMOLS-id_208137135,MCULE-2099423757	204.222	GKKKKRRULRSBKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015161
FS(=O)(=O)Cc1cnc2CCCn12	MCULE-1032836482,EMOLS-id_208136472	204.222	YECQVIITBQPZLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015162
FS(=O)(=O)Cc1n[nH]c2CCCc12	EMOLS-id_314019778,MCULE-5139493919	204.222	FVMIJWQGANFGRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015163
S1(=O)(=O)CC(=O)c2c1scc2O	PC-id_10822050	204.224	YXNKPOVMDSCWSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015164
c1(CC(=O)O)c2CCCc2nn1CC#C	PC-id_121214372,MCULE-6978079160,EMOLS-id_70118740	204.225	FHVCGIHNQGDWTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015165
c1(C(=O)OC)c2CCCc2nn1CC#C	PC-id_121214342,EMOLS-id_70118654,MCULE-7076605158	204.225	PWQVGGVZTOUVEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015166
OC(=O)C=CC=C1CC(n2c1ncc2)C	EMOLS-id_266231129	204.225	HPZSAJLKONHGRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015167
CC#CC(=O)NC1CC(n2c1ncn2)C	MCULE-5928478374	204.228	XJOXTOQOKVWNHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015168
CC#CC(=O)N[C@@H]1C[C@@H](C)n2ncnc12	ZINC22_1330906292	204.228	XJOXTOQOKVWNHF-HTQZYQBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015169
CC#CC(=O)N[C@@H]1C[C@H](C)n2ncnc12	ZINC22_1330906297	204.228	XJOXTOQOKVWNHF-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015170
CC#CC(=O)N[C@H]1C[C@@H](C)n2ncnc12	ZINC22_1330906298	204.228	XJOXTOQOKVWNHF-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015171
CC#CC(=O)N[C@H]1C[C@H](C)n2ncnc12	ZINC22_1330906299	204.228	XJOXTOQOKVWNHF-YUMQZZPRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015172
NC(c1ccn2c1NCC2)c1cnco1	PC-id_112487920	204.228	WMCWYRVLIQEMGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015173
OC(c1cn[nH]c1)c1cnc2CCCn12	EMOLS-id_259606283,MCULE-9383471081	204.228	SABJFQOSEBNHFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015174
C(n1cc(N)cn1)c1n2CCCc2nn1	MCULE-2920395238,ZINC22_35655682,PC-id_45602165,CoCoCo_6788396,EMOLS-id_27336132	204.232	LMHJYGONWJRWHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015175
OC(C(F)F)c1cc2CCCc2s1	MCULE-3329561354,EMOLS-id_313985858	204.237	CCJLVMICRRUCNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015176
OCC(F)(F)c1cc2CCCc2s1	MCULE-3884673744,EMOLS-id_314041406	204.237	WSVWAPQXHFMXDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015177
CC(c1nc2c(s1)C(CC2)(F)F)N	PC-id_105456187	204.24	VJKDKHXJYFAHNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015178
FC(Cn1c(=N)sc2c1CCC2)F	EMOLS-id_114660473	204.24	RHLRCSNTKSWTOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015179
NCCc1nc2c(s1)C(CC2)(F)F	PC-id_105456188	204.24	MWKGVHFFKNGGOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015180
S1c2c(nn(C(C)C)c2)CC1(F)F	PC-id_59050195	204.24	FPRPPOHNFXBIGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015181
C1CSc2c1sc(c2F)C(=O)O	PC-id_90352696,SCHEMBL15966233	204.242	IMSXVAMOTAOOFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015182
C1CSc2c1sc(c2F)OC=O	PC-id_90352125,SCHEMBL15965597	204.242	BLBLNRXPCCXHCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015183
O=COc1sc2c(c1F)CSC2	PC-id_58280905,SCHEMBL12622659	204.242	ABKNBRFJGZPYOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015184
OC(=O)c1sc2c(c1F)CSC2	PC-id_66889872,SCHEMBL1053727	204.242	XCSBVGFRFWJFLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015185
O=C1OC(=O)c2c1sc(=S)s2	SCHEMBL13434368,PC-id_15149587	204.247	GBRYLVWBBDXVBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015186
C=CCCC(=O)Cc1occ2c1CCC2	PC-id_101516302	204.265	IUDKWNFPTMWXFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015187
CC1CCc2c1c(C=O)nn2CC1CC1	EMOLS-id_331002876,MCULE-7121814229	204.268	SGAXMMXVCJSAKS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015188
CC1CCc2nn(CC3CC3)c(C=O)c12	MCULE-3947324501,EMOLS-id_330987964	204.268	KQDJSKJWUVTZNE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015189
CC(c1cc2n(n1)C(=O)C(=C2)C(C)C)C	SCHEMBL12565998,PC-id_58310089	204.268	UHRZNWXVFPPOJI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015190
CCC1=C(C)C(=C)n2n1c(C)c(c2=O)C	PC-id_89381264,SCHEMBL14615943	204.268	QNVFMBSRKPEDKL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015191
CC(C1=CC(=O)n2c1cnc2C(C)C)C	SCHEMBL12565903,PC-id_58310173	204.268	AOZMKEQFZQSYNY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015192
CC(c1nc2n(c1)C(=O)C(=C2)C(C)C)C	SCHEMBL12565993,PC-id_58310067	204.268	YTVSDJMUBRGKFK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015193
Cc1nc2c(s1)CS(=O)(=O)N2C	SCHEMBL14907143,PC-id_89535386	204.27	QZKOGPCTJGJIOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015194
Cc1nc2c(s1)N(S(=O)(=O)C2)C	SCHEMBL14907149,PC-id_89535389	204.27	JGRDEXNSPQCGLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015195
NS(=O)(=O)c1sc2c(n1)CCC2	EMOLS-id_313611333	204.27	XOHDGYPNEWJFAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015196
S(=O)(=O)(c1sc2c(n1)CNC2)C	PC-id_82396542	204.27	KFVZOGNLHJTRAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015197
N#CC(=c1cc2c(=CCS2)s1)C#N	PC-id_101995060	204.271	BAPRRRHUGSPAKJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015198
c1(C#N)c2C(C)CCc2n(CCCN)n1	MCULE-6291129763,EMOLS-id_331023361	204.272	RLAQAYIJEZTADE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015199
c1(C(=N)N)c2CCCc2nn1CC1CC1	EMOLS-id_70118704,MCULE-1752467247,PC-id_121214358	204.272	KBBKFRDAKBLUDD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015200
c1(C#N)n(CCCN)nc2CCC(C)c12	EMOLS-id_331009456,MCULE-9203832449	204.272	WCLUFFKWSCSHJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015201
CC1CCc2c1c(CN)nn2CCC#N	MCULE-4782753669,EMOLS-id_331016954	204.272	HICKCVIVLVSCMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015202
CC1CCc2nn(CCC#N)c(CN)c12	MCULE-8279143556,EMOLS-id_330999994	204.272	KQLWYXFQYOTXRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015203
n12ncnc1C(CC2CCCC)CC#N	PC-id_12259016	204.272	YTVYECCSMNASMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015204
n12ncnc1C(C(C2)CCCC)CC#N	PC-id_12259019	204.272	AVKHTHIFJCKLEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015205
n12ncnc1C(C(C2CC)CC)CC#N	PC-id_12259028	204.272	UYGVOGMXUNNIKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015206
n12ncnc1[C@@H]([C@@H](C2)CCCC)CC#N	PC-id_12259020	204.272	AVKHTHIFJCKLEA-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015207
n12ncnc1[C@@H]([C@H](C2)CCCC)CC#N	PC-id_12259021	204.272	AVKHTHIFJCKLEA-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015208
n12ncnc1[C@@H]([C@H]([C@@H]2CC)CC)CC#N	PC-id_12259032	204.272	UYGVOGMXUNNIKT-BBBLOLIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015209
n12ncnc1[C@@H]([C@@H]([C@@H]2CC)CC)CC#N	PC-id_21853049	204.272	UYGVOGMXUNNIKT-AEJSXWLSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015210
n12ncnc1[C@H]([C@@H]([C@@H]2CC)CC)CC#N	PC-id_21853050	204.272	UYGVOGMXUNNIKT-GUBZILKMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015211
n12ncnc1[C@H]([C@H]([C@@H]2CC)CC)CC#N	PC-id_21853051	204.272	UYGVOGMXUNNIKT-UTLUCORTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015212
n1(nc2c(C(CC2)(C)C)c1N)CCC#N	PC-id_79866380,EMOLS-id_42572755	204.272	FJWUPPNIKUONSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015213
N#Cc1c2CN(Cc2nn1C(C)(C)C)C	PC-id_105456678	204.272	MCCLDWSWPBDWPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015214
N#Cc1n(CC(C)C)nc2c1CN(C2)C	PC-id_105456679	204.272	TXOFQQZVDYDXIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015215
N#Cc1nn(c2c1CN(C2)C)C(C)(C)C	PC-id_105456667	204.272	BNSJTUPWHIROIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015216
N#Cc1nn(c2c1CN(C2)C)CC(C)C	PC-id_105456668	204.272	QCULEEBTPLXBHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015217
CC#CCC(=O)c1sc2c(c1)CCC2	EMOLS-id_266249057,PC-id_114964978	204.288	UEBNNOJNPZYPIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015218
C#CCCC(=O)c1sc2c(c1)CCC2	PC-id_114972854,EMOLS-id_266244871	204.288	NKTZXKWQVXIQHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015219
C=CCSc1ccc2n1CCC2C#N	SCHEMBL10816740,PC-id_70450235	204.291	LTARLFSLZQNULB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015220
N#CC(=C(c1sc2c(c1)CCC2)N)C	EMOLS-id_107725710,PC-id_104012254	204.291	VZTPBHJSEBLNIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015221
C1CCC(CC1)Cn1nc2c(c1)CCC2	PC-id_144230249	204.311	DCSCKDZIVKXGAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015222
C1CCC(CC1)Cn1ncc2c1CCC2	PC-id_144230224	204.311	YKBHNEYOWRVJIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015223
CC1Cc2c(C1)[nH]cc2CCC1(N)CC1	PC-id_105456905	204.311	SYKCZRTWVGACAS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015224
Cc1cc2n(c1CCC1(N)CC1)CCC2	PC-id_105456907	204.311	WMFKIXJMMSXWPC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015225
Cc1c(CCC2(N)CC2)cc2n1CCC2	PC-id_105456908	204.311	GKZOFKSPASTNJW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015226
Cc1cc(n2c1CCC2)CCC1(N)CC1	PC-id_105456906	204.311	QKPMHYPBCOSLNE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015227
Cc1[nH]c2c(c1CCC1(N)CC1)CCC2	PC-id_105456902	204.311	SILADXLHQPCWOF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015228
CC(C1CCC1)n1cc2C(C)CCc2n1	MCULE-1031806621,EMOLS-id_330998959	204.311	ULCUZNLBPKJKKK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015229
C#Cc1csc2c1SCC2(C)C#C	SCHEMBL19490305	204.311	OKRRVYMAYSYVPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015230
CC(n1cc2C(C)CCc2n1)C1(C)CC1	EMOLS-id_330998446,MCULE-8755611366	204.311	YDXJANXKLACWPA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015231
Cn1cc(c2c1CCC2)CCC1(N)CC1	PC-id_105456904	204.311	ZLIVAIVKVGIRPI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015232
N1C(Cc2c3c([nH]c2C)CCC3)CCC1	PC-id_84778025	204.311	MMDHFNAEBWFRTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015233
N(C1CC1)C1CCc2c1cn(c2)C(C)C	PC-id_83908708	204.311	CLPJCUACCYDIGL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015234
CC(=CC1=C(C)Cc2c1cc(s2)C)C	SCHEMBL14087624,PC-id_71067328	204.331	MCLJITWXGMMBCM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015235
c1(C(=O)O)c2COCc2sc1Cl	MCULE-3541793361,EMOLS-id_331064608	204.631	LVDSMMRJCJSNHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015236
C1CSc2n1c(c(Cl)n2)C(=O)O	ZINC22_1571513,SPECS-id_AT-819/OC08132,NSC315241,MDPI-id_18625,EMOLS-id_5865895,PC-id_329980,MCULE-5282580538,CNP0446967,LI_185203,CoCoCo_5595440	204.634	GTPABNRXRIHSFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015237
Clc1n2CCSc2nc1C(=O)O	PC-id_84015123	204.634	WZXFBBAXYLZDSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015238
c1(CCl)c2COCc2sc1OC	EMOLS-id_331061294,MCULE-9033068785	204.674	MVFAXZHMQLSAHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015239
c1(C=O)c2CSCc2sc1Cl	EMOLS-id_331059244,MCULE-6276572503	204.697	CHSNXXPECPIQKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015240
ClC(=O)c1sc2c(c1)CSC2	PC-id_118258879,SCHEMBL16938959	204.697	LLDGCCKIFRVGSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015241
C1=CN2C(=N1)SC(N2)Br	PC-id_154201334	204.931	WUMLIMZVRVSZPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015242
C1=CN2C(C=NC2=N1)S(=O)(=O)Cl	PC-id_153808634	204.971	OJHABSOQWKNGDS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015243
Clc1c2NC(=O)C(=O)c2[nH]c1Cl	PC-id_77219919	204.998	JGSRZKXGGKHXLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015244
FC1CCc2c1c(Br)n[nH]2	PC-id_105456951	205.028	CGHWIMPRMXSLFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015245
C1C2=CN(N=C2C(=O)N1)CC(F)(F)F	PC-id_161694851	205.046	XFFVVZTZGYUEDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015246
C1C2=NN(C=C2C(=O)N1)CC(F)(F)F	PC-id_153876569	205.046	VRAZNWPJGOJKEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015247
CN1C=C(C2=C1CNC2=O)C(=O)N=[N+]=[N-]	PC-id_154467094	205.06	TWTJKKULWAFXBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015248
Clc1sc(Cl)c2c1C(=O)C=C2	SCHEMBL9866031,CoCoCo_5768370,NSC700861,PC-id_395859,LI_223318	205.061	OYCVLEGAUGFXEI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015249
Brc1c2c(sc1)COC2	PC-id_82396433,SCHEMBL16415890	205.072	PDRDQSXKPACBNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015250
Brc1cc2c(s1)CCO2	PC-id_96618185	205.072	FDUXGZLRWOSXAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015251
Brc1cc2c(s1)OCC2	PC-id_96618186	205.072	JMWYJINYCCZHID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015252
Brc1oc2c(CSC2)c1	PC-id_84778151	205.072	NXCAJJHHEDWAFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015253
Brc1sc2c(c1)COC2	PC-id_82396434,SCHEMBL16416203	205.072	LAIMEHBOLFCGDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015254
Brc1scc2OCCc12	PC-id_82396435	205.072	DSDDPIAFZMZBTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015255
Brc1cn2c(n1)SCC2	EMOLS-id_96251544,SCHEMBL1848539,PC-id_58230830	205.076	VVRCFNZZRFBFEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015256
Brc1nc2CNCc2s1	PC-id_71742973,SCHEMBL20293232,EMOLS-id_300738202,ZINC22_91692877,MCULE-6168067320	205.076	KBJLTWPOZQCWGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015257
Brc1n[nH]c2c1CSC2	PC-id_105456960	205.076	XUDVCTJWFUGARP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015258
CC(=O)n1c2c(CC(=C2)C(=N)OC)cn1	PC-id_163790415	205.085	MWFGLIYKCBTEDL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015259
FC1(F)CCc2c1[nH]c(c2F)C(=O)O	SCHEMBL8163568,PC-id_57659956	205.134	MQTDSQAHSYLADC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015260
C1Cn2c(c(c(n2)C(F)(F)F)C=O)N1	SCHEMBL18758521,PC-id_137179077	205.137	VJEBDZKTCXFMOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015261
O=C(C(F)(F)F)N1Cc2c(C1)c[nH]n2	SCHEMBL20364270,MCULE-4661400264,EMOLS-id_97218510	205.137	SCJHBGHTKRQYFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015262
COC(=O)c1ccn2c1C=C(C2=O)C=O	PC-id_142058823	205.167	JNRFHBQEKSPHTH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015263
FC(F)(F)c1oc2c(CCC2)c1CN	PC-id_83610563	205.177	VRFCITANCSHRTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015264
c12cc(nn1CCN2CC(F)(F)F)C	MCULE-6374940463,EMOLS-id_317878004	205.18	KMLQYYBCPHHQLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015265
c12C(N)CCc1n(nc2)CC(F)(F)F	MCULE-3070941638,PC-id_102548654,EMOLS-id_46440455	205.18	WAWYHVODEFZHEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015266
Cc1nc2c(n1CC(F)(F)F)CNC2	SCHEMBL17380748,PC-id_118614473	205.18	LLNBBLJMEDYCGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015267
Cc1[nH]nc2c1CN(C2)CC(F)(F)F	SCHEMBL17232831,PC-id_118491780	205.18	SKIHIAZZLZSTHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015268
CCN1Cc2c(C1)nc([nH]2)C(F)(F)F	SCHEMBL13563264,PC-id_70938176	205.18	CMVCDBPMBQMSBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015269
CN1Cc2c(C1)cnn2CC(F)(F)F	SCHEMBL13283524,PC-id_70875698	205.18	OUFKPDKNCKEDAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015270
CN1Cc2c(C1)c(n(n2)C)C(F)(F)F	SCHEMBL15730133,PC-id_90167600	205.18	RGFOOGKWISBQBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015271
CN1Cc2c(C1)cn(n2)CC(F)(F)F	SCHEMBL17624276,PC-id_118974267	205.18	YWDJHUZVACFSJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015272
CN1Cc2c(C1)nc(n2C)C(F)(F)F	PC-id_70875703,SCHEMBL13283549	205.18	GEKDZYDQYXYXQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015273
CN1Cc2c(C1)n(nc2C(F)(F)F)C	SCHEMBL15730234,PC-id_90167687	205.18	AEXSSOMBBLGHBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015274
FC(CCc1nn2c(n1)CCC2)(F)F	PC-id_138553478,SCHEMBL20909501	205.18	KUNCMFCSAZRJOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015275
FC(CNC1CCn2c1ncc2)(F)F	EMOLS-id_266257707	205.18	YXGOFGZHIBEURS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015276
FC(F)(F)c1nn(c2c1C(N)CC2)C	PC-id_83861574	205.18	DGRVEHCNMUZVGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015277
FC(F)(F)c1nn(c2N(CCc12)C)C	PC-id_11009059	205.18	UJQBXLGGMHEFDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015278
FC(F)(F)c1n[nH]c2c1C(CC2)CN	PC-id_83861631	205.18	NCRYQLKUFMGXJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015279
FC(F)(F)c1n[nH]c2c1C(NC)CC2	PC-id_83861626	205.18	JZNNRWCEWJOWHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015280
n1(CC(F)(F)F)c2CCCc2c(N)n1	MCULE-8313948913,EMOLS-id_324383327	205.18	MISIWTAWARQHQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015281
n1(CC(F)(F)F)nc2c(CCC2)c1N	SCHEMBL17045386,PC-id_118340615,EMOLS-id_114663890,MCULE-4221798882	205.18	DZFOSQLJPUJUKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015282
NC1Cn2c(C1)c(nc2)CC(F)(F)F	PC-id_112487848	205.18	WKRCLJYJUOUVKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015283
NC(c1n[nH]c2CCCc12)C(F)(F)F	EMOLS-id_314012477,MCULE-8304011352	205.18	VYXMIRAIZSEHJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015284
NC(C(F)(F)F)c1ccn2c1NCC2	PC-id_112487849	205.18	LWBTVCISUSCBLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015285
N[C@H]1CCc2c1cnn2CC(F)(F)F	PC-id_97181759,ZINC22_95098080	205.18	WAWYHVODEFZHEW-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-015286
N[C@@H]1CCc2c1cnn2CC(F)(F)F	ZINC22_95098081,PC-id_97181760	205.18	WAWYHVODEFZHEW-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015287
S1c2n(nc(c2C=[C]1)C(F)(F)F)C	PC-id_57428190	205.18	OVEXPJASINMMEJ-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-015288
FOC(=O)C1Nc2c(C1)sc(c2)F	PC-id_143604959	205.182	YSIFNQWGWRZLQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015289
OC(=O)c1cc2c([nH]1)C(CS2)(F)F	SCHEMBL8163973,PC-id_57659967	205.182	KLZYATPZIWDJIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015290
OC(=O)c1nc2c(s1)C(CC2)(F)F	PC-id_105457024	205.182	AYSZCQNAUDDKIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015291
CCOC(=O)C(=O)c1ccc2n1C=CC2	PC-id_142162978	205.21	MCYLNYFXAHJCFP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015292
o1cc2CC([N+]#[C-])(Cc2c1)C(=O)OCC	PC-id_10512429	205.21	ALHVOULYYKUTMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015293
O(C(=O)c1c(n2c(c1C)C=CC2=O)C)C	PC-id_85976774	205.21	SNXFBFKWQQAJPI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015294
c1(C(=O)OC)c(N)c(c2CCCn12)C#N	PC-id_2834677,ZINC22_4178686,CoCoCo_604976,ChEMBL-DNDi_CHEMBL3474-0209,CK1579324,SPECS-id_AT-687/PE33058,MCULE-1650973304,EMOLS-id_2338566,SPECS-id_AT-687/NB03685,STOCK1S-11495	205.213	BTJSZGGQYCELGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015295
CC1CCc2c1c(nn2CC(=O)O)C#N	MCULE-8831820936,EMOLS-id_331023360	205.213	POWPMICKJXLQTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015296
CC1CCc2nn(CC(=O)O)c(C#N)c12	EMOLS-id_331005631,MCULE-9397623626	205.213	IUJYCTSFQQXXII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015297
C/C=Cc1c(C)nc2n1N=C(C2)C(=O)O	PC-id_144806379	205.213	AMNFBHXNPWOUNE-ARJAWSKDSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015298
O=C1c2nc[nH]c2C(=O)N1CC=C(C)C	CNP0294197,PC-id_85913694,UNPD16399	205.213	WAOGVUUKMCZPQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015299
C1Cn2c(c(nn2)C(c2ccco2)N)N1	PC-id_136926985	205.217	LONUBOXFWUKYKG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-015300
Cc1nonc1CN1CCn2ccnc12	PC-id_146139293,ZINC22_931519686	205.217	GPPIKQIZJKENQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015301
c1(Cn2cnc(N)n2)nnc2CCCn12	MCULE-4267896866,EMOLS-id_18081296,PC-id_25248662,CoCoCo_6657150,TIMTEC607320,ZINC22_12398959	205.22	ZXJBLGFRORCRRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015302
[NH-]c1[nH]c[n+](n1)Cc1nnc2n1CCC2	CoCoCo_6657151	205.22	WZRSVXYBDAYOGH-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-015303
C1C/C(=C(/C#N)C(=O)O)/c2c1ccs2	SCHEMBL20243908,PC-id_134590794	205.233	HZFMAEZQRFKEOC-BQYQJAHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015304
C#CCCN1C(=O)c2c(C1=O)csc2	EMOLS-id_107416836	205.233	OQKKJISBIIMDKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015305
CC(N1C(=O)c2c(C1=O)csc2)C#C	EMOLS-id_114664081	205.233	FGZDLCOTQDCFDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015306
C=C/C=C
/P(C)Cn2c1c(C)c(c2)C	SCHEMBL19254105	205.236	GXYWICDZFCLKLC-IZZDOVSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015307
CC(/C=C/1CCc2c1cc([nH]2)C(=O)O)C	PC-id_141214808	205.253	BCKQUFUKXFRJPG-VMPITWQZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015308
CC/C=C/1CCc2c1[nH]c(c2)C(=O)OC	SCHEMBL1056685	205.253	GMFFJTGDLOACOP-XBXARRHUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015309
CC(=O)CCC(=O)c1ccc2CCCn12	HMDB0040046,SCHEMBL18065855,CNP0286700,PC-id_86127012	205.253	BDWPPPWPSZSWII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015310
COC(=O)c1cc2c([nH]1)CCC2=C(C)C	SCHEMBL1005211,PC-id_66873958	205.253	XADWNXMUIAOJRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015311
O(C(=O)c1[nH]c2c(CCC2=CCC)c1)C	PC-id_66890941	205.253	GMFFJTGDLOACOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015312
OC(=O)/C=C/1CC(n2c1ccc2)C(C)C	PC-id_83638561	205.253	PZCZQOMCGNFMIQ-VQHVLOKHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015313
OC(=O)/C=C/1CC(n2c1ccc2)CCC	PC-id_83638562	205.253	ZRJKSNKHAOHBOO-CMDGGOBGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015314
c1(cn2c(CCC2)n1)C(=O)N1CCCC1	MCULE-8300037280,EMOLS-id_321298386	205.256	YNIFVRVMQMOAHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015315
c1(C#N)c2C(C)CCc2n(CCCO)n1	EMOLS-id_331026176,MCULE-4026869118	205.256	AFBRMPSZICTBSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015316
c1(C#N)n(CCCO)nc2CCC(C)c12	EMOLS-id_331008432,MCULE-5348629062	205.256	WHAQPEHEFKAWEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015317
c1(C(=O)N2CCCC2)c2CCCc2[nH]n1	PC-id_110388803,MCULE-3812675409,EMOLS-id_179744490	205.256	PPKXBYVRADQLOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015318
c1(C(=O)NC2CC2)c2CCCc2n(C)n1	GD-id_ZINC49679435,MCULE-4599459264,PC-id_110388974,EMOLS-id_179744989	205.256	LVADMXLJGBGHLZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015319
c1(C(=O)NCC2CC2)c2CCCc2[nH]n1	MCULE-4172580333,EMOLS-id_323260339	205.256	UAXKICDEPKHAAU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015320
c1(C(=O)NCC=C)c2CCCc2n(C)n1	MCULE-7757323738,EMOLS-id_179744992,PC-id_110388975	205.256	MHGNIRCLCJLAFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015321
CC1CCc2c1c(CO)nn2CCC#N	EMOLS-id_331011828,MCULE-9449639931	205.256	ISWIOQMBWBCPQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015322
CC1CCc2nn(CCC#N)c(CO)c12	MCULE-3571345522,EMOLS-id_330995892	205.256	FAZMFCVAUHQXCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015323
CCC(=C)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319741912	205.256	FEPHEJTURHAIOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015324
CCC(=C)C(=O)NC1CCn2c1ncc2	EMOLS-id_319465481	205.256	FBLUKCJVPIGVPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015325
O=C(C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319072562	205.256	GMVHVPLATUGOOP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015326
O=C(C1CCNC1)c1[nH]c2CCCc2n1	PC-id_84734055	205.256	BYGCXZGPPJSNLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015327
O=C(C1NCCC1)c1[nH]c2CCCc2n1	PC-id_84734054	205.256	OJQCQGGHOBZLOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015328
C/C(=C/C(=N)c1nc2c(n1C)CNC2)/N	PC-id_144979384	205.26	RTAVJONFXVVHDN-PPZXURNYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015329
CCn1nc2CCCc2c1CCN=[N+]=[N-]	PC-id_121214363,MCULE-6883226873,EMOLS-id_70118714	205.26	QLQXVNREDHXHIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015330
C#CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_37263421,PC-id_47116630	205.276	TVZGMCBTAIYCIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015331
C#CC(=O)NCc1sc2c(c1)CCC2	MCULE-7909963655	205.276	VOQNOFCUNOTXRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015332
N#CC(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_37542985,PC-id_43157300	205.276	UFRVKTVXCRWMFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015333
S1(=O)(=O)NC(=S)c2c1csc2	PC-id_13390867,SCHEMBL10834676	205.278	OEPDFHUDCRAXEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015334
S1(=O)(=O)NC(=S)c2c1scc2	PC-id_10262363	205.278	MDMYPFRVMWFTBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015335
S1(=O)(=O)NC(=S)c2sccc12	PC-id_14086551,SCHEMBL10689167	205.278	MBKLFONXEUEEEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015336
C1CN(c2c1scc2)Cc1cnc[nH]1	PC-id_91489524	205.279	GFOVNGRDCOCECZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015337
c1nc(Cc2nc3c(s2)CCC3)c[nH]1	PC-id_10703438,CHEMBL149704,BindingDB_PC-id_10703438	205.279	KGIFXTLGUMRIEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015338
c1[nH]cc(n1)CN1Cc2c(C1)csc2	PC-id_15228196,SCHEMBL9408079	205.279	UQZLXWLSCNMLAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015339
c1scc(c1)NC1CCn2c1ncc2	EMOLS-id_266283858	205.279	SVGUUXDWGPOKRC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-015340
Cc1oc2c(c1CCC1(N)CC1)CCC2	PC-id_105458122	205.296	CLDMTJXEFNIYHY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015341
CCc1cc2c(o1)CC(C2NC1CC1)C	PC-id_112715831	205.296	XOKNMBAMMQKNJL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015342
CCc1oc2c(c1)CC(C2NC1CC1)C	PC-id_112715830	205.296	MENUGUMRKVGYNB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015343
o1c2c(c(CC3NCCC3)c1C)CCC2	PC-id_84778707	205.296	GESOWLDUMZSLOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015344
o1c2c(c(CNC3CC3)c1CC)CCC2	PC-id_83610202	205.296	IEHZHKBEEKMENE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015345
o1c2c(C(NC3CC3)CC2)cc1C(C)C	PC-id_83908827	205.296	XPZPUALKSSRKFJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015346
o1c2C(NC3CC3)CCc2cc1C(C)C	PC-id_83908825	205.296	JZYBNLMSPKLLSZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015347
O=CC1(CC(c2c1c([nH]c2C)C)(C)C)C	PC-id_12369110	205.296	FARDIONNCYLHIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015348
O=C[C@@]1(C)CC(c2c1c(C)[nH]c2C)(C)C	PC-id_96017733	205.296	FARDIONNCYLHIJ-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015349
O=C[C@]1(C)CC(c2c1c(C)[nH]c2C)(C)C	PC-id_96017734	205.296	FARDIONNCYLHIJ-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015350
c12C(C)CCc1n(nc2N)CC1CCC1	EMOLS-id_330967280,MCULE-5468336531	205.299	RCRRSTLRDOHZCJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015351
C1CCC(C1)NCc1n[nH]c2c1CCC2	PC-id_61395240,EMOLS-id_38281115	205.299	OYEKUXMLMVZCLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015352
C1CCN(C1)CCc1nc2c([nH]1)CCC2	PC-id_90757622	205.299	INLVRKULFALSEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015353
CC1Cc2c(C1NC1CC1)c(nn2C)C	PC-id_112715886	205.299	VOFNYALOMHKHII-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015354
CC1Cc2c(C1NC1CC1)c(n(n2)C)C	PC-id_112715887	205.299	LIIRJRXEMZALQB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015355
CC1CCc2c1c(CN)nn2CC1CC1	MCULE-6982448103,EMOLS-id_331017208	205.299	YTNHFHKDNQRIHT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015356
CC1CC(c2c1[nH]nc2NC1CC1)(C)C	PC-id_106664108	205.299	OKWUTLKJWBWYJR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015357
CC1CCc2nn(CC3CC3)c(CN)c12	MCULE-6780725948,EMOLS-id_331000248	205.299	BRBJMNQEIBZHHS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015358
CC1CCc2nn(CC3CCC3)c(N)c12	MCULE-9361643180,EMOLS-id_331017634	205.299	UQMFXEZOCPKKPD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015359
CC1(C)CCc2c1nc([nH]2)CNC1CC1	PC-id_79862344,EMOLS-id_42571511	205.299	VBUZGZFZJSZJIQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015360
Cc1c(CCC2(N)CC2)nc2n1CCC2	PC-id_105458173	205.299	NEVXSJKSNJYIQM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015361
C(C1CCCCC1)n1cc2CNCc2n1	EMOLS-id_324339040,MCULE-5896367633	205.299	DQLPMOFYJHUJPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015362
C(C1CCCNC1)c1n[nH]c2CCCc12	MCULE-4582995754,PC-id_83848250,EMOLS-id_313917265	205.299	NVXWDNNOXQMVAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015363
C(C1CCNCC1)c1n[nH]c2CCCc12	PC-id_83848248,MCULE-7379703226,EMOLS-id_313913426	205.299	PPKQHQRVOZHYAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015364
Cc1nc2n(c1CCC1(N)CC1)CCC2	PC-id_105458191	205.299	VVVFGDGEJRMESL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015365
Cc1nc(c2n1CCC2)CCC1(N)CC1	PC-id_105458174	205.299	BECUNQHHDXKEJC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015366
Cc1nc(n2c1CCC2)CCC1(N)CC1	PC-id_105458180	205.299	ZNJUMMBMIMZNHK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015367
CC(C1CC1)n1nc2CCC(C)c2c1N	MCULE-9535325061,EMOLS-id_331010219	205.299	HCIBNSKFVLMDJW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015368
CC(c1n[nH]c2c1CN(C2)CC1CC1)C	SCHEMBL17229862,PC-id_118489379	205.299	FLTYWLFUJHVMQF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015369
CC/C=c/1c(=C/CC)\nc2n1CCN2C	PC-id_141790725	205.299	WWVQJXSRWKILOC-JMQWPVDRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015370
CC(C)(c1n[nH]c2CCCc12)C1(N)CC1	EMOLS-id_313869649,MCULE-9781271186	205.299	CHSGLALFJCSGEZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015371
CN1CCn2c1ccc2CCC1(N)CC1	PC-id_105458176	205.299	NXVIWVOKHQNOCC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015372
CN1CCn2c1cc(c2)CCC1(N)CC1	PC-id_105458178	205.299	XOZFDXVAGISOSV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015373
Cn1nc2c(c1CCC1(N)CC1)CCC2	PC-id_105458194	205.299	DQPRSOFTFWTVQE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015374
Cn1nc(c2c1CCC2)CCC1(N)CC1	PC-id_105458192	205.299	OHKIUOQPRUMNFQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015375
CNCc1c2CCCc2nn1CC1CC1	MCULE-6394875741,EMOLS-id_324390238	205.299	ADJDQSUZURCKRQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015376
n12c(ncc1CCC2)C(C1CCC1)CN	PC-id_82659204	205.299	PPNIRZKRNQXXMS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015377
n12c(nc(c1CCC2)C)C(C1CC1)CN	PC-id_82659200	205.299	MGNVJFILWGEKOV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015378
n12nc(C(C3CCC3)CN)cc1CCC2	PC-id_82659205	205.299	ZLBYUQJTBVKROX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015379
n1(CC2CC2)c(CCN)c2c(CCC2)n1	MCULE-9737014351,PC-id_121214368,EMOLS-id_70118728	205.299	XQWGQSKOEQXFBW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015380
n1(CC2CCCC2)c2CCCc2c(N)n1	EMOLS-id_324386142,MCULE-3849586436	205.299	WCNPKDXCSRZCOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015381
n1(CC2CCCC2)nc2c(CCC2)c1N	EMOLS-id_324389977,MCULE-3568055960	205.299	LEPVLTKPPXGVPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015382
N1Cc2c(n[nH]c2C1)CC1CCCCC1	PC-id_83848316	205.299	MICDHWCXRNROCN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015383
N1(Cc2[nH]c3c(CCC3)c2)CCNCC1	PC-id_82610125	205.299	IMXCZCRKDWXKLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015384
N1C(CCC1)CCc1n[nH]c2c1CCC2	PC-id_83858888	205.299	CQNORRXYVXVXSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015385
N1C(CCCC1)Cc1n[nH]c2c1CCC2	PC-id_83848252	205.299	JSMCDHQBXUJMSI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015386
N1CC(CCc2n[nH]c3c2CCC3)CC1	PC-id_83858887	205.299	UQJZWTIABJXHGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015387
N(C1CC1)C1CCc2[nH]nc(c12)C(C)C	PC-id_83908839	205.299	VSHRAOHUNQWETO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015388
N(C1CC1)c1n(nc2c1CCC2)C(C)C	PC-id_83863245	205.299	VNGZOQNXMXFXJU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015389
C1=CCC(C1)NC1CCc2c1scc2	EMOLS-id_266285008	205.319	LSVKLZRDQMNBNQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015390
CCC1Cc2c(C1)cc(s2)C(C#N)C	PC-id_21317987,SCHEMBL11533321	205.319	LOXKQUYQAMGUMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015391
C#CCC(c1sc2c(c1)CCC2)NC	EMOLS-id_266284840,PC-id_114976897	205.319	SUKSIXJNBSEJSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015392
C#CCCC(c1sc2c(c1)CCC2)N	EMOLS-id_266284742,PC-id_115859158	205.319	NVSFFPRNTNJXIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015393
CC#CCC(c1sc2c(c1)CCC2)N	PC-id_115819313,EMOLS-id_266285004	205.319	MHRNDLOHXJLWQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015394
C#CCC(NC1CCc2c1scc2)C	EMOLS-id_266284968	205.319	INXPKXUYAPSGHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015395
CC#CCNCc1sc2c(c1)CCC2	EMOLS-id_38939232,PC-id_62311543	205.319	QQATWFFZVKOLHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015396
C#CCCNCc1sc2c(c1)CCC2	PC-id_63654876,EMOLS-id_39921574	205.319	QBODTDUXPFDYNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015397
C#CCNC(c1sc2c(c1)CCC2)C	EMOLS-id_266284950,PC-id_115706959	205.319	HMBNRZSEBCMKKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015398
C#CC(NCc1sc2c(c1)CCC2)C	PC-id_116166724,EMOLS-id_266284948	205.319	QHKWVESSUIAEJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015399
C/C=Nc1sc2c(c1C(=C)C)CCC2	PC-id_144415594	205.319	ICONQPCOJXZQGD-PQMHYQBVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015400
CCNC(c1sc2c(c1)CCC2)C#C	PC-id_104995905,EMOLS-id_266284876	205.319	ZBBHNANPDRIJCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015401
[n+]12C(C(=C(c1c(n(c2C)C)C)C)C)(C)C	PC-id_58701167	205.319	FMCASIRDWIIELM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015402
n12C(C(=C(c1[n+](c(c2C)C)C)C)C)(C)C	PC-id_58701198	205.319	YZWFHZGUZBCPMH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015403
N#C[C@]1(C(C)C)[C@H](C)Cc2c1csc2	PC-id_102524735	205.319	ZKUFRCKHRGUXBH-SKDRFNHKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015404
N#CCc1sc2c(c1)CC(C2)C(C)C	PC-id_21317994,SCHEMBL11532716	205.319	NLJGPANNDAKXLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015405
[Si](/C=C/1Cn2c(C1=O)ccc2)(C)(C)C	PC-id_20765078	205.328	YIHOQKQFLSECRK-CMDGGOBGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015406
[Si](/C=C
/Cn2c(C1=O)ccc2)(C)(C)C	PC-id_59990283	205.328	YIHOQKQFLSECRK-HJWRWDBZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015407
[Si](C=C1Cn2c(C1=O)ccc2)(C)(C)C	PC-id_73705620	205.328	YIHOQKQFLSECRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015408
CC(c1[nH]c(c2c1CCC2)C(C)(C)C)C	SCHEMBL19324350	205.339	HAGFOIBSVZYIKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015409
n1(c2c(CCC2)cc1CCCC)C(C)C	PC-id_13193446	205.339	BBECLMOMJMTZQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015410
Clc1c2n(C(N=N2)C)c(c1C#N)C#N	PC-id_67342381,SCHEMBL2271150	205.604	PVBAUIJMLCORNM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015411
ClC1=C(C(n2c1nnc2C)C#N)C#N	SCHEMBL2271147,PC-id_17885971	205.604	SPQZBFMVULSJKG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015412
Clc1n2C(N=Nc2c(c1C#N)C#N)C	SCHEMBL2267010,PC-id_67340943	205.604	XBCNLRNRJVXNCK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015413
ClC1n2c(nnc2C)C(=C1C#N)C#N	PC-id_17885969,SCHEMBL2267006	205.604	ZMDPLMBWZPEHSG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015414
Clc1nc2SCCn2c1[N+](=O)[O-]	PC-id_86121029	205.622	MATNJBVTOIFWGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015415
c12CSCc1sc(CN)c2Cl	EMOLS-id_330872643,MCULE-4811858584	205.728	JDGRVDWLKNLTON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015416
c1(CCl)c2CSCc2sc1N	MCULE-4484500975,EMOLS-id_331062314	205.728	LQVIVIRRMLEQCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015417
c1(CN)c2CSCc2sc1Cl	MCULE-6173980072,EMOLS-id_331059756	205.728	BHFNIMAAGHGYMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015418
FC1CCc2c1c(Br)no2	PC-id_105458309	206.012	NYIQYPSDVJPVMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015419
C[C@H]1CCC2=C1C=C(S2)C(F)(F)F	PC-id_155138499	206.038	OYEGZFBLEJIJLR-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015420
Brc1sc2CCOc2n1	PC-id_83669668	206.06	SKBUCMUZFPEABC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015421
Brc1nn2CCSc2n1	PC-id_84673801	206.064	SQDVAUKFBYLNOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015422
BrN1CSc2c1[nH]cn2	PC-id_87361274,SCHEMBL2253667	206.064	HUTXAWCWRMFGJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015423
CCN1C2=C(COC2)C(=N1)C(F)(F)F	PC-id_147948651	206.067	INECYTYRFBIDJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015424
C=CCOC1CCN2C1=C(C=C2)C(=O)N	PC-id_154230013	206.106	PCCOHVMRYATKNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015425
CC(=O)CN1C2=C(CCC2)C(=N1)C(=C)O	PC-id_153600317	206.106	ZDSFSGNLVHWXSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015426
CCC1=C(C(C2=C1SC(=C2C)C)C)C	PC-id_163706899	206.113	KFVWNQKFTFMHMQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015427
CC(C)C1=CC2=C(C1)C=C(S2)C(C)C	PC-id_147882019	206.113	IAPRAYOKJLWVAD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015428
c1(C(F)(F)F)nnc2C(=NO)CCn12	PC-id_137176330,MCULE-5934430289	206.125	BMUVVQCETVSQLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015429
C1Cn2c(nnc2C(F)(F)F)/C/1=N/O	PC-id_136875022	206.125	BMUVVQCETVSQLS-KGVSQERTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015430
O/N=C
/CCn2c1nnc2C(F)(F)F	ZINC22_96509904,EMOLS-id_49181718,PC-id_136920500	206.125	BMUVVQCETVSQLS-BASWHVEKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015431
CC(C)C1=C2C(=O)CC(C2=NN1C)(C)C	PC-id_153319041	206.142	ZDJZDGKCHJCLFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015432
CCCC1=CN2C(=C1)CN(C2=O)C(C)C	PC-id_155050950	206.142	OTJYRFBBRQETPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015433
CC(=O)NCCCC1=CC=C2N1CCC2	PC-id_165345907	206.142	UCYYUGDWEMOFOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015434
C1CNCCC1CN2CCN3C2=CC=N3	PC-id_160935818	206.153	STWAHKXYPZLWKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015435
FC(F)(F)c1oc2c(CCC2)c1CO	PC-id_83610543	206.162	VMODLWBOPWWXJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015436
c12CC(Cc1nn(C)c2O)C(F)(F)F	EMOLS-id_320435218,MCULE-7995674697	206.165	GHMKGQUBVHTWKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015437
c12C(CCc1nn(C)c2O)C(F)(F)F	EMOLS-id_320437010,MCULE-4687176865	206.165	OIQGUBVMMVHPIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015438
CCn1nc2c(c1C(F)(F)F)COC2	SCHEMBL17066903,PC-id_118357669	206.165	BRVYNIOLRSSBSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015439
Cn1c2c(CC(C2)O)c(n1)C(F)(F)F	PC-id_90167802,SCHEMBL15730354	206.165	TXADLXHXOZWQAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015440
Cn1c2c(C(CC2)O)c(n1)C(F)(F)F	SCHEMBL15730095,PC-id_90167572	206.165	ZQXPGSRZRNRYBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015441
Cn1c2c(CCC2O)c(n1)C(F)(F)F	SCHEMBL15730595,PC-id_90167987	206.165	AXSKSBKVDKPMAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015442
COC1CCc2c1[nH]nc2C(F)(F)F	PC-id_102483209	206.165	KUCMILLVQBDRHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015443
FC(F)(F)c1noc2c1C(CC2)CN	PC-id_83861469	206.165	HTMFELDRRXBTPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015444
FC(F)(F)c1noc2c1C(NC)CC2	PC-id_83861464	206.165	ZIWVJTBFRVYHNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015445
Oc1n(nc2c1CCC2)CC(F)(F)F	EMOLS-id_114668209	206.165	YXAAVFOSVMVVDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015446
OC(c1n[nH]c2CCCc12)C(F)(F)F	EMOLS-id_314014010,MCULE-8758864364	206.165	AWFKWSVTRVFJRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015447
O[C@H](c1n[nH]c2CCCc12)C(F)(F)F	EMOLS-id_314015292,MCULE-7294172832	206.165	AWFKWSVTRVFJRM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015448
O[C@@H](c1n[nH]c2CCCc12)C(F)(F)F	MCULE-3693135399,EMOLS-id_314011965	206.165	AWFKWSVTRVFJRM-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015449
c12cc(nn1CCN2CC(F)(F)F)N	EMOLS-id_320439576,MCULE-5127993847	206.168	QTNWIJHRZRSGLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015450
c12c(N)cnn1CCN2CC(F)(F)F	EMOLS-id_317864703,MCULE-8030958231	206.168	VNIPBHGDNZNZPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015451
CN1CCn2c1nc(c2N)C(F)(F)F	PC-id_96617616	206.168	AWNAHRUSSCTBAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015452
CNn1c2c(CNC2)c(n1)C(F)(F)F	SCHEMBL20371516,PC-id_135215761	206.168	DMPSJFFHLYRNFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015453
FC(F)(F)CN1Cc2c([nH]nc2N)C1	PC-id_83916459	206.168	SGYPEPUTJUTECM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015454
n1(CC(F)(F)F)nc2c(CNC2)c1N	EMOLS-id_324339044,MCULE-8261224795	206.168	CWNRDQMKDIMGGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015455
NC(C(F)(F)F)c1nnc2n1CCC2	EMOLS-id_266286294	206.168	YXICWQHSVZDHIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015456
OCCn1nc2c(c1)OS(=O)(=O)O2	PC-id_140397281	206.177	VRAHWXCDQSXAQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015457
CCCCCN1C(=C2CCC(C2=N1)C)C	PC-id_153403991	206.178	PXPDJRFSXSOAFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015458
CC(C)CN1C2=C(C=N1)[C@H](CC2)C(C)C	PC-id_153444553	206.178	DUYZSDZUHZGUAC-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015459
CC(C)CN1C2=C(C=N1)[C@@H](CC2)C(C)C	PC-id_153444740	206.178	DUYZSDZUHZGUAC-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-015460
O=CN1CCn2ncc(c12)/C=C/C(=O)[O-]	PC-id_17961985	206.178	KYWLQAHSHUMPDH-OWOJBTEDSA-M	00000010100000000001000010000000000000000000000000000000	25-01-015461
O=CN1CCn2ncc(c12)C=CC(=O)[O-]	PC-id_73413957	206.178	KYWLQAHSHUMPDH-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-015462
O=C1c2sccc2CC1C(F)(F)F	PC-id_139250894	206.185	QXACTLUALHJBHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015463
O=C(C1=C/C(=C(/[O-])C)/c2[n+]1nn(n2)C)C	PC-id_10536262	206.201	QSLIPYXWSHYBNX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015464
O(OC)CC1=C([N+]#[C-])Cn2c1nnc2C	PC-id_22944512	206.201	BQSPTKPCQZDVDN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015465
C1Cn2c(c(nn2)C(c2cnco2)N)N1	PC-id_136926972	206.205	ILJMYNHVCNCUFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015466
CC(N1C(=O)c2c(C1=O)csc2)C#N	EMOLS-id_114668542	206.221	CVXOILWLULEOKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015467
N#CCCN1C(=O)c2c(C1=O)csc2	EMOLS-id_114668580	206.221	BUXQBLSDAISBBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015468
o1c2c(CCC2)c(c1CC)/C=C/C(=O)O	PC-id_83610265	206.238	OAZSXVYDBXTOCB-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015469
o1c(c2c(c1C)C(=O)OC2)CCCC=C	PC-id_85698600	206.238	WHMXPSLIMPGENR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015470
c1(C(=O)O)c2CCCc2nn1CC1CC1	MCULE-6331052369,PC-id_121214336,EMOLS-id_70118640	206.241	MLGHHVUDEVVVRW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015471
CC1=NC(=O)c2c([nH]c(c12)O)C(C)(C)C	PC-id_137223590	206.241	LPIBVRLOIDQHQM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015472
CC(c1ncc2n1C(=O)C(C2=O)(C)C)C	PC-id_101496515	206.241	WXKWWYQPZFIDSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015473
CCCC1=NC(=O)c2c([nH]c(c12)O)CC	PC-id_136380799	206.241	WWRBHQCFIQXVHO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015474
CCCCCN1C(=O)C(=O)c2n1ccc2	SCHEMBL4720334,PC-id_69160345	206.241	CUZQBIOQVVKBCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015475
CC(C)(C)OC(=O)n1cc2CN=Cc2c1	PC-id_91585730	206.241	DRGQSVMACANIQO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015476
CC(CN1C(=O)c2c(C1=O)cn(c2)C)C	PC-id_58799676,SCHEMBL8283005	206.241	CJODHJCVBYBXSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015477
CC(CN1C(=O)c2c(C1=O)n(cc2)C)C	SCHEMBL8283560,PC-id_58799540	206.241	DQLXCOXKGQBMSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015478
CCOC(=O)C(=C1CCn2c1ncc2)C	EMOLS-id_266289592	206.241	SGKAWMDIWYMHRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015479
CC(=O)NCC[C@@H]1Cn2c(C1=O)ccc2	PC-id_51861579,CoCoCo_6950718	206.241	RVHBQJCPIZUKBU-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015480
CC(=O)NCC[C@H]1Cn2c(C1=O)ccc2	PC-id_51861580,CoCoCo_6950719	206.241	RVHBQJCPIZUKBU-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-015481
o1c2CCCc2nc1C(=O)C1CCNC1	PC-id_84734106	206.241	BQRWKLMINSDDFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015482
o1c2CCCc2nc1C(=O)C1NCCC1	PC-id_84734105	206.241	HPHHHYFZBGJXOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015483
O=C1C(Cn2c1ccc2)CCNC(=O)C	PC-id_23987372	206.241	RVHBQJCPIZUKBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015484
OC(=O)C1(Cc2n[nH]c3CCCc23)CC1	EMOLS-id_313882201,MCULE-8790680811	206.241	FPAZKXNVKLZZMF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015485
OC(=O)c1n(nc2c1CCC2)CC(=C)C	PC-id_82283289	206.241	OUPPVGXYPOIKOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015486
OC(=O)c1nn(c2CCCc12)CC(=C)C	PC-id_82283291	206.241	ZGGXQMQNNJAWMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015487
OC(=O)C(C1CC1)c1n2CCCc2cn1	PC-id_82659334	206.241	HSSIUBIIHCIOMV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015488
OC(=O)C(C1CC1)c1nn2c(c1)CCC2	PC-id_82659335	206.241	AQGJBDWOTXQWBL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015489
c1(C(=O)N2CCCC2)[nH]nc2CNCc12	ZINC22_96516095,EMOLS-id_49188865,MCULE-5643816580,PC-id_97619433	206.244	LXHHHRGJPZABDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015490
c1(C(=O)NC2CC2)nn(c2CNCc12)C	MCULE-1342644488,EMOLS-id_97067782	206.244	GSJDQKMWIRUKDF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015491
c1(C(=O)N/N=C(C)/C)c2CCCc2[nH]n1	EMOLS-id_1209576,PC-id_714313,MCULE-3083316671,CoCoCo_57356,ChEMBL-DNDi_CHEMBL5647184,BAS-00389972,CoCoCo_57355	206.244	IREJSESMASNRKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015492
C=CC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_37793864,PC-id_43696339	206.244	QJXWEEYPRNVXRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015493
C=CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_60948042,EMOLS-id_37965908	206.244	URCZJODMWSQXTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015494
CN(C(=O)C1NCc2c1c[nH]n2)CC=C	EMOLS-id_319193404	206.244	BNPAGCMCIYEWRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015495
O=C1N(CC2CCNC2)Cc2n1cnc2	PC-id_83680775	206.244	DCOZABDJJHXFJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015496
O=C1N(CC2NCCC2)Cc2n1cnc2	PC-id_83680777	206.244	ZTPIDUYHZBRPOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015497
O=C(C1NCc2c1c[nH]n2)NC1CCC1	MCULE-8665237367,EMOLS-id_320068298	206.244	LKPVTKGYWMNWSU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015498
O=C(C1NCc2c1c[nH]n2)NCC1CC1	EMOLS-id_319083644	206.244	NMGDBNCMVPZEBA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015499
O=C(CC1CC1)Nc1n[nH]c2c1CNC2	ZINC22_1875276668	206.244	NUAIFTXRKXAKFK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015500
O=C(N1Cc2c([nH]nc2N)C1)C1CCC1	PC-id_84674187	206.244	KRDHGTDOCKGCDB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015501
O=C(N1Cc2c(nn(c2N)C)C1)C1CC1	PC-id_84674186	206.244	LQPHMJDOPRSEGQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015502
O=C(N=c1[nH][nH]c2c1CNC2)C1CCC1	MCULE-7487802760,PC-id_146103624,ZINC22_1875276753,EMOLS-id_324053093	206.244	YAMCITZBFNYXBC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015503
O=C(NNC(=C)C)c1n[nH]c2CCCc12	PC-id_3613375	206.244	CMISDVFXOSCDRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015504
C1N(n2ccnc2S1)S(=O)(=O)N	PC-id_90917220	206.246	CKZJCOFSTBANRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015505
FS(=O)(=O)c1cc2CCCc2s1	EMOLS-id_314018970,MCULE-3447094211	206.258	NWCWFSPESQDIOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015506
COC(=O)C#Cc1sc2c(c1)CCC2	EMOLS-id_40595962,PC-id_64534975	206.261	SFOQISKFKUZDDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015507
S1(=O)(=O)SC(=O)c2c1scc2	PC-id_59961293	206.263	ROAYERVJSWJXAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015508
c1(NC(=O)C)sc2c(CCC2)c1C#N	CK1292811,MCULE-1294063170,ZINC22_40048,EMOLS-id_1568074,ChEMBL-DNDi_CHEMBL1730323,PC-id_676715,CoCoCo_1654907,SPECS-id_AM-879/PD00712	206.264	SVVQBULYYMXCDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015509
C#CCC(=O)Nc1sc2c(n1)CCC2	MCULE-5822957424	206.264	ZTDSBGHWYZQTBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015510
N#CCNC(=O)c1sc2c(c1)CCC2	PC-id_60895388,EMOLS-id_37919938	206.264	ZOMYJCJPHWSPFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015511
S=C(N)c1c2n(CCC2)c(c1N)C#N	PC-id_86161819	206.267	PIFXUEXGCBBWAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015512
c1(Cn2cncn2)sc2c(CCC2)n1	ZINC22_1775965544,EMOLS-id_313834642,MCULE-5903299144	206.268	CJINLOJCWJQKEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015513
c1csc(n1)Cc1cnn2c1NCC2	EMOLS-id_266292682	206.268	DCSXJBJCEUTPDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015514
c1(C(=S)N)c(N)c(c2CCCn12)C#N	PC-id_4055035,MCULE-3486971723,EMOLS-id_37118062,ChEMBL-DNDi_CHEMBL6179-0087	206.268	KRUJWVRAFUEVKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015515
n1scc(c1)NC1CCn2c1ncc2	MCULE-5379680314	206.268	OQRRDBUFGHUVLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015516
N#Cc1c(NC(=N)N)sc2c1CCC2	CHEMBL4302336,PC-id_145947558	206.268	KXCJWGIJYKVLBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015517
c1(C(C)(C)C)oc2c(CCC2)c1C(=O)C	MCULE-4366070723,PC-id_83610534	206.281	HQVHERHRXMMWCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015518
o1c2c(CCC2)c(c1C(C)C)CC(=O)C	PC-id_84674438	206.281	VIOXHIDNHSWOTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015519
c12CCC(C)c1c(nn2C(C)CC)C=O	MCULE-3180170445,EMOLS-id_331004414	206.284	YMHJRIKWRYSLHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015520
c12C(C)CCc1n(nc2O)CC1CCC1	MCULE-3708554834,EMOLS-id_330958074	206.284	WKSLVTSCHSCDOB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015521
c1(C=O)c2C(C)CCc2nn1C(C)CC	EMOLS-id_330989492,MCULE-5572113595	206.284	NMEDYPLKVPDZKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015522
CC1CCc2c1c(CO)nn2CC1CC1	MCULE-5837852203,EMOLS-id_331012082	206.284	RONQVGMZORPSRO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015523
CC1CCc2c1c(C=O)nn2C(C)(C)C	MCULE-1433642255,EMOLS-id_331005949	206.284	HRZLDPYDVGIWBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015524
Cc1cc(c2n1CCO2)CCC1(N)CC1	PC-id_105459192	206.284	WZBUJOPRPXYRPC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015525
CC1CCc2nn(CC3CC3)c(CO)c12	EMOLS-id_330996146,MCULE-5806330828	206.284	OZNZNIGQPOSAOL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015526
CC1CCc2nn(CC3CCC3)c(O)c12	EMOLS-id_331009708,MCULE-5692163128	206.284	CTLGORFHLGCJJC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015527
CC1CCc2nn(c(C=O)c12)C(C)(C)C	MCULE-6508091342,EMOLS-id_330986942	206.284	XUKFTSCTGAWLAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015528
N1(CCCCC1)Cc1[nH]c2c(n1)CNC2	PC-id_83949431	206.287	XZWDBCCPHUJFQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015577
CC1(C)CCc2c1onc2CNC1CC1	PC-id_80462294,EMOLS-id_313675802	206.284	JJYKIWRXZBGZJJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015529
Cc1cn2c(c1CCC1(N)CC1)OCC2	PC-id_105459193	206.284	ISOUAYGQSUHPPN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015530
CC(c1c2C(=O)CCc2nn1C(C)C)C	PC-id_142345773	206.284	CXHIDLPNQALAJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015531
CC(C1CC1)n1nc2CCC(C)c2c1O	EMOLS-id_331006373,MCULE-8287455729	206.284	DUORCENCEOTEIG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015532
CCC1CCc2c1onc2CNC1CC1	PC-id_116177550	206.284	GIFZUBCVKSMJEX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015533
CCC1(CC)C(Cn2c1ccc2)C(=O)N	SCHEMBL9383109,PC-id_67837325	206.284	GHURALFXJUZZAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015534
CCc1nn(c2CC(=O)Cc12)C(C)(C)C	EMOLS-id_337960220	206.284	BNEHZIFPMSTPGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015535
CC(C)Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330987708,MCULE-1070774090	206.284	XLORYPASSXLGEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015536
CC(C)Cn1nc(C=O)c2C(C)CCc12	EMOLS-id_331002620,MCULE-4379216390	206.284	TWWOXBQZURAZAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015537
CCN(C(=O)C1CCn2c1ccc2)CC	SCHEMBL9383103,PC-id_14698708	206.284	WTDIQFTWKBXMOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015538
n1(CC2CCC2)c2CCCc2c(CO)n1	MCULE-6526930260,EMOLS-id_324386900	206.284	IDONRHWHHRUHJE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015539
n1(CC2CCCC2)nc2c(CCC2)c1O	EMOLS-id_324386906,MCULE-8414174591	206.284	KTAZHVWWQDHVKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015540
o1c2c(CCC2)c(c1C(C)(C)C)C(=N)N	PC-id_83610502	206.284	ZEJKVQJPAQPNIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015541
o1c2c(CCC2)cc1CN1CCNCC1	PC-id_82610635	206.284	LJKKVHSCWAXNCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015542
o1nc2c(c1CC1CCCCC1)CNC2	PC-id_83848357	206.284	DSMNCMYBIQPZPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015543
o1nc2c(c1CC1CCCNC1)CCC2	PC-id_83848366	206.284	XIVKDCFATBTFJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015544
o1nc2c(c1CC1CCNCC1)CCC2	PC-id_83848364	206.284	UVJBIAIYCPCRDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015545
o1nc2c(c1CC1NCCCC1)CCC2	PC-id_83848368	206.284	JFBOREWMLYUNOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015546
o1nc2c(c1CCC1CCNC1)CCC2	PC-id_83858725	206.284	UKDWADBQTFMPGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015547
o1nc2c(c1CCC1NCCC1)CCC2	PC-id_83858726	206.284	IDUGYFYLPPLILY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015548
o1nc2CCCc2c1N=CCCCCC	PC-id_58664485	206.284	IMUDJQWHZYRFDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015549
o1nc(c2C(NC3CC3)CCc12)C(C)C	PC-id_83908926	206.284	STIPBCJMGDDEPD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015550
OCCn1nc2CC(Cc2c1C)C(=C)C	PC-id_73821535	206.284	BYRUVYVCXBTTTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015551
OCCn1nc2C[C@@H](Cc2c1C)C(=C)C	PC-id_21673548	206.284	BYRUVYVCXBTTTH-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015552
N1CCC(CC1)Nc1n[nH]c2c1CCC2	PC-id_114698098	206.287	QTZOAHGVXCHFPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015578
OCCn1nc(c2CC(Cc12)C(=C)C)C	PC-id_73821536	206.284	MZSSNBOZJYFIRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015553
OCCn1nc(c2C[C@H](Cc12)C(=C)C)C	PC-id_21673549	206.284	MZSSNBOZJYFIRU-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015554
C1CCC(C1)NCc1nnc2n1CCC2	PC-id_60761194,EMOLS-id_37571411	206.287	NMUSQYQNGDYPBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015555
CC1CCc2c1[nH]nc2NC1CNCC1	PC-id_114697981	206.287	ROAZOTZBTZEVSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015556
Cc1nc(n2c1NCC2)CCC1(N)CC1	PC-id_105459594	206.287	MYHZQDUIPQIQDK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015557
CN1CCn2c1cc(n2)CCC1(N)CC1	PC-id_105459595	206.287	ATCVBMUPFVKATB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015558
CN1CCn2c1nc(c2)CCC1(N)CC1	PC-id_105459593	206.287	JADHYSZLQZTRRH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015559
C(N1CCNCC1)c1n[nH]c2CCCc12	EMOLS-id_39109909,MCULE-9287692354,PC-id_62488521	206.287	GFDPPRIUJIWVOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015560
CNCc1c2CNCc2nn1CC1CC1	EMOLS-id_324350561,MCULE-1202331892	206.287	KLAQJKJJFRJNTR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015561
C(Nn1nnc2CCCc12)C1CCCC1	EMOLS-id_208147378,MCULE-1305435493	206.287	YLMGBTPHURXVFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015562
n12CCCc1cnc2CN1CCNCC1	PC-id_82659513	206.287	PJLHSCZCASBEPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015563
n12CCCc1nnc2CC1CCNCC1	MCULE-3977255548,EMOLS-id_42394853,PC-id_79608147	206.287	LFTMTMFNPURWBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015564
n12c(nnc1CCC2)CC1(CCC1)CN	EMOLS-id_313659977,PC-id_81162344	206.287	MMESDDMTIBORGM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015565
n12c(nnc1CCC2)C(C1CCC1)CN	PC-id_82659511	206.287	FEJNQOQFMDTKHF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015566
n12c(nnc1CCC2)CC1CCCNC1	PC-id_62690291,MCULE-7292032947	206.287	PUBBBBRQNCGRDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015567
n12c(nnc1CCC2)CC1(N)CCCC1	PC-id_64672420,EMOLS-id_40693000	206.287	ZYZSJRVYYKRCBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015568
n1c2CCCn2c(CN2CCNCC2)c1	MCULE-4052457992	206.287	CVATYGRAHREFTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015569
n1(CC2CCCC2)nc2c(CNC2)c1N	MCULE-3695425370,EMOLS-id_324337764	206.287	URQIKYCUUDNWIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015570
N1(Cc2ncn3c2CCC3)CCNCC1	PC-id_82610723	206.287	FDIXGXLZFQLTOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015571
N1(Cc2nn3c(CCC3)c2)CCNCC1	PC-id_82610722	206.287	NYWWSLKDFPMJER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015572
N1(CC(CC1)Cc1n[nH]c2c1CNC2)C	PC-id_83848387	206.287	HEEZMLMGNFYVBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015573
N1(C(CCC1)Cc1n[nH]c2c1CNC2)C	PC-id_83848388	206.287	AKSRXTMNQLXOEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015574
N1CC(CC1)CCc1n2CCCc2nn1	PC-id_81717587	206.287	IXHGWBRLGLFBPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015575
N1(CCCC1)CCc1n[nH]c2c1CNC2	PC-id_83848392	206.287	YOMOYLQIXBCNSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015576
N(C1CCC1)C(c1n2CCCc2nn1)C	PC-id_61777391	206.287	OWGAYNNWPRQPNW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015579
N(CC1CC1)C(c1n2CCCc2nn1)C	PC-id_43748185	206.287	JNYPLRCWXPMHDF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015580
CC#CCC(c1sc2c(c1)CCC2)O	PC-id_115779766,EMOLS-id_266294518	206.304	GTOWOMSPZFSLRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015581
C#CCCC(c1sc2c(c1)CCC2)O	PC-id_115799332,EMOLS-id_266294062	206.304	AZNGLWMEPUXAME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015582
CC(=C)CC(=O)c1sc2c(c1)CCC2	EMOLS-id_266294516,PC-id_115780579	206.304	AXZHSHSPTXFBBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015583
C=CCCC(=O)c1sc2c(c1)CCC2	PC-id_114974983	206.304	RCHKNMBKBIAUMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015584
CC(=CC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_266294514,PC-id_115780816	206.304	UTLVZACTYHUSLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015585
O=C(c1sc2c(c1)CCC2)C1CCC1	EMOLS-id_266294114,PC-id_115811572	206.304	UWEXCPZKBBWNQY-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-015586
O=C(c1sc2c(c1)CCC2)CC1CC1	EMOLS-id_266294100,PC-id_114974704	206.304	BEXXRJJHEHEQNL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015587
CC1=Nc2n(C1)[n+](cc2C(C)C)C(C)C	SCHEMBL14699840,PC-id_71259959	206.307	DUOYQZXGXDGOHF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015588
C#CCC(c1sc2c(c1)CCC2)NN	PC-id_105281483,EMOLS-id_50840650	206.307	MKKJRCMSBXLMRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015589
CC(C)(C)n1nc2CSCc2c1C#C	EMOLS-id_324400722,MCULE-5589188127	206.307	LTHUQLBZNSZUFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015590
CC#CCNCc1sc2c(n1)CCC2	PC-id_115888101	206.307	LYFYXPVZOQHBOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015591
CCCNc1sc2c(c1C#N)CCC2	PC-id_63091813,EMOLS-id_39588054	206.307	AQTTVVSXPJYKTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015592
C#CC(NCc1sc2c(n1)CCC2)C	EMOLS-id_266294866	206.307	TUMIJHCUZXWUCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015593
C#CCNC(c1sc2c(n1)CCC2)C	EMOLS-id_266294868,PC-id_115869669	206.307	DHRPVDOQLSFKAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015594
N#Cc1cc2n(c1)C(SC2(C)C)(C)C	PC-id_110186979	206.307	DLZNMTVNAAZBKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015595
N#Cc1c(N)sc2c1C(C)CC2(C)C	PC-id_106662921,EMOLS-id_114672229	206.307	OQTRBWUKLLCSEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015596
N#CCCNCc1sc2c(c1)CCC2	EMOLS-id_38138691,PC-id_61208173	206.307	HYSYZZYQGAXKGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015597
N#CC(NCc1sc2c(c1)CCC2)C	EMOLS-id_38503963,PC-id_61691825	206.307	QSJDMMBVRYONLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015598
c12C(C)CCc1n(nc2)CCC(C)(C)C	EMOLS-id_331020773,MCULE-6942020230	206.327	IBVXNZLVBBAOMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015599
c12C(C)CCc1nn(CCC(C)(C)C)c2	MCULE-4281937343,EMOLS-id_331003816	206.327	PURRHMFQQJTHEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015600
c12C(C)CCc1nn(CC(CC)CC)c2	MCULE-8913014038,EMOLS-id_331004840	206.327	QOLQMEQKLWONRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015601
c12C(C)(C)CC(C)(C)c1cnn2C(C)C	MCULE-6843081284,EMOLS-id_75547794,ZINC22_575425835	206.327	XSJDEVCBNHBOLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015602
CC1Cn2c(C1)nc(c2C(C)C)C(C)C	PC-id_140931304	206.327	KFBIGXBCOKKUMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015603
CC(c1c(nc2n1C(C)CC2)C(C)C)C	PC-id_140931296	206.327	DQPOYEPEOHBACT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015604
CC(c1nc2n(c1C(C)(C)C)CCC2)C	SCHEMBL18622281	206.327	SXASYXKISDXYJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015605
CCCC(C1Cn2c(C1)ncc2)(CC)C	SCHEMBL21216391,PC-id_139364575	206.327	MZFUJGUERGSBTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015606
CCC(CC)Cn1ncc2C(C)CCc12	EMOLS-id_331021797,MCULE-7616986707	206.327	YTIBGVZZHXRUCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015607
CC(n1cc2C(C)CCc2n1)C(C)(C)C	EMOLS-id_331002025,MCULE-4372690515	206.327	NXXLQFUMJUWXQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015608
CC(n1ccc2c1CN(C2)C(C)(C)C)C	SCHEMBL19498093	206.327	CUUJUOLREWXQSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015609
CC(n1ncc2C(C)CCc12)C(C)(C)C	EMOLS-id_331019238,MCULE-9506848262	206.327	FRMHIPJIPZKKON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015610
Cn1nc2c(c1C(C)(C)C)CCC2(C)C	SCHEMBL11927677,PC-id_68169380	206.327	GRERAVKCRKASMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015611
Cn1nc(c2c1C(C)(C)CC2)C(C)(C)C	SCHEMBL11927679,PC-id_68169382	206.327	WOWKZIJHLNATCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015612
CNCC1C(C)Cc2c1cn(c2)C(C)C	PC-id_112715990	206.327	USINQTKQFIZRGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015613
n1(c2c(CCC2)c(c1C)CN)CC(C)C	PC-id_82507271	206.327	XQWVXDAZBQVVQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015614
NCC(C1CCc2c1cn(c2)C(C)C)C	PC-id_112715985	206.327	ZTDMICUENUYKDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015615
NCCC1C(C)Cc2c1cn(c2)C(C)C	PC-id_112715987	206.327	OFRHPWFZMHWQJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015616
[nH]1c(C(C)(C)C)c(c2c1CCC2)CCN	PC-id_84779252	206.327	FXISDHPKKCXCQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015617
C=C1SSc2c1ssc2=O	PC-id_58388686,SCHEMBL12386279	206.329	HDFNOFAWHVDSAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015618
S=c1sc2c(s1)C(=O)CS2	PC-id_101949293	206.329	UNIFVNXVDVSNBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015619
CC(C1=Cc2c(C1)csc2C(C)C)C	SCHEMBL2741660,PC-id_57934278	206.347	KMKHAWBNEPNUKD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015620
CCC1=C(c2c(C1C)sc(c2C)C)C	PC-id_134266814,SCHEMBL19880016	206.347	WBIDBURGVQYFQU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015621
CC(C1=Cc2c(C1)sc(c2)C(C)C)C	SCHEMBL12033025,PC-id_58566114	206.347	LDTMBVNHBIFVDZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015622
CCC1=C(c2c(scc2C1)CC)CC	PC-id_90729512	206.347	KTYZNJXMZSJGFB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015623
CC(C1=C(C)Cc2c1sc(c2C)C)C	PC-id_142613445	206.347	WXVVZLQAANFICY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015624
CC(=C1C(C)Cc2c1sc(c2C)C)C	PC-id_142615413	206.347	YPQOCSOICQTPBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015625
CCCC1=CCc2csc(c12)CCC	PC-id_91468545	206.347	OVLVSNKALQZRQG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-015626
CC1C(C(c2c1c(n[nH]2)Cl)(F)F)C	PC-id_90385305	206.62	BINTYAZPFKKSLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015627
C[C@@H]1[C@H](C)c2c(C1(F)F)[nH]nc2Cl	SCHEMBL16006108	206.62	BINTYAZPFKKSLZ-IUYQGCFVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015628
FC(F)Cn1nc2CCCc2c1Cl	EMOLS-id_317869051,MCULE-1305106126	206.62	YVXLIHDAVSOSMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015629
FC(F)Cn1nc(Cl)c2CCCc12	EMOLS-id_324389712,MCULE-2793403809	206.62	FUHHRCMDXISQEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015630
c1(cnn2CCCc12)S(=O)(=O)Cl	MCULE-9030922949,EMOLS-id_96268577,PC-id_55279479	206.65	PZQBRDVRQLVSCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015631
c1([nH]nc2CCCc12)S(=O)(=O)Cl	PC-id_86812428,MCULE-4500583122,EMOLS-id_50023681	206.65	DUKQZMUCKXXZEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015632
ClS(=O)(=O)c1cn2CCCc2n1	PC-id_122480749,EMOLS-id_337847554,SCHEMBL18007719	206.65	JCXKJCBHFOIVPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015633
ClS(=O)(=O)c1cnc2CCCn12	SCHEMBL15265984,TIMTEC220195,PC-id_44119806,EMOLS-id_45493326,MCULE-1453552998	206.65	INKHDZOCLLUBLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015634
c12CSCc1nn(CCF)c2Cl	EMOLS-id_324396377,MCULE-8470071181	206.668	RSFLSRHLWASQCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015635
c12CSCc1sc(CO)c2Cl	EMOLS-id_330872387,MCULE-8597860314	206.713	GXTYDHSSCDNBHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015636
c1(CO)c2CSCc2sc1Cl	EMOLS-id_331059500,MCULE-8952642335	206.713	PHALEEPSVYQZPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015637
Brc1csc2c1OCO2	PC-id_96617005	207.045	FXNLDDQXBSEPMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015638
Brc1sc2c(c1)OCO2	PC-id_96617006	207.045	YPFAQYWLQPDTFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015639
Brc1scc2c1OCO2	PC-id_96617007	207.045	PITQMKGRLMVVTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015640
CC1=CN2CCC(C2=C1C(=O)[O-])C(=O)[O-]	PC-id_153819200	207.054	DYNWHKZYRBSBOR-UHFFFAOYSA-L	00000010100000000000000010000000000000000000000000000000	25-01-015641
[B]c1nc2c(s1)CCC2C(=O)OCC	PC-id_89037448	207.057	HWXDZFWZPOZXJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015642
Clc1c2CCC(=O)c2sc1Cl	PC-id_16639328	207.077	IMJLFIFMAQBJMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015643
Clc1sc(Cl)c2C(=O)CCc12	EMOLS-id_104708078,PC-id_315616,ZINC22_400171,CoCoCo_5551761,MCULE-4211009254,SCHEMBL6803699	207.077	MESRLDSDCXYQMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015644
CC1=C(C2=C(N1C)CN(C2=O)C)C(=O)N	PC-id_153956328	207.101	KQRRRWAGWSZZRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015645
CCN1C2=C(CCC2(C)C)C(=N1)C(=O)[O-]	PC-id_152748740	207.114	LYQKJCMSWRJUSJ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-015646
c1(CCl)c2CCCc2sc1Cl	EMOLS-id_331062567,MCULE-4414934185	207.12	MRRFDOUTGHCMER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015647
Clc1sc(Cl)c2CCC(c12)C	PC-id_20737307	207.12	NOXWJFLJFKEKQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015648
CCCOC(=O)C1CCN2C1=CC(=C2)C	PC-id_153879324	207.126	IRXHYEXUKCPVEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015649
CC1=CN(C2=C1C(=O)NC2)CCN(C)C	PC-id_160958771	207.137	SWSYUXYHGKYRJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015650
CC(=O)N1CC2=C(C1)N=C(N2)C(C)(C)C	PC-id_155160247	207.137	MZNHUMQZTRBMEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015651
FC(F)(F)CN1Cc2c(noc2N)C1	PC-id_83916536	207.153	ACKJLSBGDZVAEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015652
n1(CC(F)(F)F)nc2c(CNC2)c1O	MCULE-7870865027,EMOLS-id_324337768	207.153	MRAWSVGQVLZKLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015653
n1(CC(F)(F)F)nc2c(COC2)c1N	MCULE-9259996536,EMOLS-id_324400723	207.153	RUWPSIFDONOBDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015654
ON1Cc2c(C1)nc(n2C)C(F)(F)F	PC-id_118613806,SCHEMBL17380061	207.153	LRKPYKSHXKWBHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015655
C1Cn2c(c(nn2)C(C(F)(F)F)N)N1	PC-id_136310266	207.156	FUPKWEBJYWVFJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015656
s1c2c(NC(=O)C2)cc1C(F)(F)F	PC-id_11481171	207.173	WQJPBIQKUCACHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015657
CC(C)C1([C@@H](CC2=C1NN=C2)N)C(C)C	PC-id_153482826	207.174	MXZVIWYHUBPTSB-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015658
O(C1c2n(C(=O)C1)c(cc2)C=O)C(=O)C	PC-id_10679821	207.183	XOHMUVMBNUUMKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015659
O=CC1Cc2n(C1=O)ccc2C(=O)OC	PC-id_142058793	207.183	MQZGZAXAPLVZQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015660
O=CN1CCn2c1c(/C=C/C(=O)O)cn2	PC-id_17961986,SCHEMBL5148587	207.186	KYWLQAHSHUMPDH-OWOJBTEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015661
O=CN1CCn2c1c(C=CC(=O)O)cn2	PC-id_73413958,SCHEMBL5148594	207.186	KYWLQAHSHUMPDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015662
OC(=O)C=CC(=O)N1Cc2c(C1)c[nH]n2	MCULE-8742585048,EMOLS-id_313623177	207.186	VVACUZBKMMOQHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015663
CCC(=O)Cc1c(n2C(=N)N=Nc2n1)O	PC-id_135441685	207.189	FXQBYUZHZAWSEE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015664
CCC(=O)CC1=Nc2nnc(N)n2C1=O	ZINC22_16942797,CoCoCo_5636597,SPECS-id_AT-225/JK08863,NSC382750,LI_194221,PC-id_343336	207.189	ZWKIVCYQAMBHNP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015665
O=C1n2c(C(=NC(=O)NC)N1C)cnc2	PC-id_21789297	207.189	INJILBOKRQNJLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015666
OC(=O)c1c(CN=[N+]=[N-])nn2CCCc12	EMOLS-id_317449738,MCULE-3523463952	207.189	MTSTWRGJRBGBJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015667
C#CCON1C(=O)c2c(C1=O)csc2	EMOLS-id_107769533	207.206	FEQBZDZZFDNFLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015668
C1Cn2c(c(cn2)[N+]#CCCO)N1C=O	PC-id_87635128,SCHEMBL4210955	207.209	VYAYOUAFUNHIEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015669
Nc1c2CCCc2sc1C(F)(F)F	EMOLS-id_324737096	207.216	IPYWFXBSZIYXDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015670
N[C@H]1CCc2sc(cc12)C(F)(F)F	EMOLS-id_337153483	207.216	WGXAVJJTLZODGY-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015671
c1(C(=O)OCC)c(C)[nH]c2CCC(=O)c12	ZINC22_40174043,PC-id_43839802,EMOLS-id_31521157,MCULE-6620942404	207.226	GUSAFFBAUNWACW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015672
CCOC(=O)C1Cc2c(N1)c(co2)C=C	SCHEMBL14288781,PC-id_89293295	207.226	REPYYIPHPTZVPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015673
CCOC(=O)c1cc2c([nH]1)C(CO2)C=C	SCHEMBL12906708,PC-id_88977593	207.226	XLTUGAJSIGOUGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015674
CCOC(=O)c1c(C)cn2C(=O)CCc12	EMOLS-id_26480	207.226	LWHHMIICOXAMLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015675
CCOC(=O)c1c(C)[nH]c2c1CCC2=O	PC-id_21051547,SCHEMBL5252828	207.226	NGIJGIMEKGYNFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015676
CCOC(=O)C1C(=O)Cc2c1ccn2C	PC-id_101332667	207.226	RIOIBUIIZSDOKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015677
CCOC(=O)CC1Cn2c(C1=O)ccc2	TIMTEC20658,PC-id_45034913	207.226	KXUITPHIQYOCEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015678
CCOC(=O)C[C@@H]1Cn2c(C1=O)ccc2	PC-id_93531893	207.226	KXUITPHIQYOCEP-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015679
CCOC(=O)C[C@H]1Cn2c(C1=O)ccc2	PC-id_93531894	207.226	KXUITPHIQYOCEP-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015680
O1c2c([nH]c(c2C)C(=O)C)C(C1=O)(C)C	PC-id_23386166	207.226	MAIUGJWFIKWAAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015681
o1c2C(=O)N(C(C)(C)C)C(=O)c2cc1C	PC-id_15022440	207.226	UXQVQJULYXTFRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015682
o1c(c2CC(NC)C(=O)c2c1C)C(=O)C	PC-id_82395695	207.226	XXTYYPZJDBIYLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015683
O(c1c(n2CCCc2c1)C(=O)C)C(=O)C	PC-id_14242391	207.226	PTAUKAQTHPXOKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015684
O(C(=O)c1[nH]c2c(CCC2)c1C=O)CC	PC-id_10774696	207.226	IXWPXKSVNNNDSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015685
C1CCN(C1)C(=O)c1nn2CCOc2c1	PC-id_91959872,EMOLS-id_50187713	207.229	SAWVIAHYHHWMGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015686
C1CC(OC1)Cn1cc2CNC(=O)c2n1	SCHEMBL14994641,PC-id_89601980	207.229	TUWMEIIDTMJDLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015687
c1(C(=O)NC2CC2)c2COCc2nn1C	EMOLS-id_324403035,MCULE-8920316728	207.229	JDZFBROHZLVUCL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015688
c1(C(=O)O)c2CNCc2nn1CC1CC1	MCULE-8389964969,EMOLS-id_324344934	207.229	ATHLEYQYAPXZPS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015689
Cc1cc2n(n1)CCN2C(=O)CCC=O	PC-id_134593161,SCHEMBL20246573	207.229	SEFCYFCPVJZLKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015690
CC1CN(C1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_102615061	207.229	YXONQWHBSYKLTR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015691
CC1(COC1)C(=O)c1nn2CCCc2n1	PC-id_137412510,SCHEMBL20645920	207.229	XTMJVOQYXRZTRD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015692
CC=CC(C(=O)N1Cc2c(C1)cn[nH]2)O	EMOLS-id_320073413,MCULE-5110677194	207.229	FXJMLISZIUGCIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015693
CC=CC(C(=O)N1CCn2c1ccn2)O	MCULE-5063877327,EMOLS-id_316551503	207.229	RGOWXRUJSSSCOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015694
CC(=O)CCC(=O)N1CCn2c1ncc2	EMOLS-id_258164434,MCULE-2022575690	207.229	UWTQUFSPLNEZDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015695
N/C=C(/C1Cc2c(C1)[nH]nc2C(=O)O)C	PC-id_143311113	207.229	BRUFWVQGRMSZBU-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015696
OC1CN(C1)C(=O)c1n[nH]c2CCCc12	MCULE-7938631594,EMOLS-id_102415747	207.229	HSXGTOBMVRCHHV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015697
O=c1n2n(C(=C)C(C2=C)(C)C)c(=O)n1C	PC-id_10512514	207.229	DTGWPJXMZGNWSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015698
O=C1N(CC(C)C)C(=O)c2ncn(c12)C	PC-id_85678736	207.229	BASSVORPLFMVCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015699
O=C1N(CCCN)C(=O)c2n1c(cc2)C	PC-id_83680807	207.229	PALQIRPPEQPENY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015700
O=C(c1n[nH]c2c1CCC2)N1CCCO1	EMOLS-id_99420883	207.229	KXXPUTNZSZLIGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015701
O=C([C@@H]1CCOC1)N1CCn2nccc12	ZINC22_252487864	207.229	ICYJMUVVYNIJFT-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015702
O=C([C@H]1CCOC1)N1CCn2nccc12	ZINC22_252487865	207.229	ICYJMUVVYNIJFT-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015703
O=C(N1CCn2c1ccn2)C1COCC1	MCULE-3250449835,PC-id_121527701,EMOLS-id_73022000	207.229	ICYJMUVVYNIJFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015704
O=C(N1CCn2c1ncc2)C(C1CC1)O	EMOLS-id_319564414	207.229	MAZBGCJIIRGYJC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015705
OC(=O)C(C1CC1)c1n2CCCc2nn1	PC-id_82659595	207.229	MZLJVIZLMAAETN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015706
C/N=C/1C(=Nn2c1nc(n2)C)OC(C)C	SCHEMBL10013332,PC-id_59096222	207.232	VTPQPTMDIBKSKA-YFHOEESVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015707
C=CC(N1C(=O)c2c(C1=O)csc2)C	SCHEMBL18517072	207.249	OZGHIQUDYSAIHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015708
S1(=O)(=O)SC(=O)c2scnc12	PC-id_59961268	207.251	TWHVLTITDNXCJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015709
N#CCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357845,PC-id_61512155	207.252	RLMLYFCYLAWZOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015710
C=CCNC1Nc2c(cnn2S1)C#N	PC-id_137219403	207.256	JKXVOHCSFMQULK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015711
n1nsc(c1)NC1CCn2c1ncc2	EMOLS-id_266301478	207.256	AUKYPNSOAWRBEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015712
c1(C(=O)OCC)cc2c(CC(C)(C)C2)[nH]1	MCULE-3867170407,ZINC22_203903090,SCHEMBL10289558,PC-id_68096415,EMOLS-id_56972243	207.269	FFRSZAKIQKRQED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015713
c1(C(=O)O)c(C)n(c2CCCc12)C(C)C	PC-id_28473704,MCULE-8778491388	207.269	YFQWDDSVWAWYDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015714
CC1Cc2c(C1C(=O)O)cn(c2)C(C)C	PC-id_112716049	207.269	ONWDKQIAVHYGHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015715
CC1CC(c2cccn12)CCC(=O)OC	PC-id_92019896	207.269	NBOFTXUYIGROHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015716
Cc1c(C)c(C(=O)C(C)O)n2CCCc12	PC-id_86127015,CNP0045591,HMDB0040010	207.269	ZCNNVEPQSPOCJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015717
CC1Cn2cccc2C1CCC(=O)OC	PC-id_92019895	207.269	FDOSQVSLAGECBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015718
CC(CC1CCc2c1cc([nH]2)C(=O)O)C	PC-id_44125115,SCHEMBL1004425	207.269	GEZVKJCBLJWZID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015719
CCCC1CCc2c1cc([nH]2)C(=O)OC	PC-id_59180159,SCHEMBL1002764	207.269	QNHISFHKWUEZAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015720
CCCC1CCc2c1[nH]c(c2)C(=O)OC	SCHEMBL1004646,PC-id_59180192	207.269	MGABWWPKIVBXJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015721
CCCCOC(=O)C1CCn2c1ccc2	SCHEMBL11451604,PC-id_23333105	207.269	OKGWJSUQBZVJLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015722
CC(OC(=O)C1CCn2c1cc(c2)C)C	SCHEMBL10813117,PC-id_12795099	207.269	ZWGGNSNXUKGCHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015723
CCOC(=O)c1[nH]c2c(c1C)CCC2C	PC-id_10443007,SCHEMBL1417634	207.269	IFKZEMKFVLAEIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015724
CCOC(=O)Cc1c(C)[nH]c2c1CCC2	SCHEMBL3343330,PC-id_68605040	207.269	FLXRVWGUOSEESF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015725
CCOC(=O)Cn1c(C)cc2c1CCC2	SCHEMBL13417273,PC-id_58564120	207.269	VWHYRGKPVLGPTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015726
COC(=O)c1cc2c([nH]1)CCC2C(C)C	SCHEMBL1003825,PC-id_10899800	207.269	CWDNVVMPGIFTAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015727
COC(=O)CCc1ccc2CCC(C)n12	EMOLS-id_34315,PC-id_15584422	207.269	JDJUHIWSVRRACU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015728
n12cccc1C(CC2CCC)CC(=O)O	MCULE-7454463772,PC-id_83638994	207.269	BAQXPQYLJSBWAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015729
o1c2c(CCC2)c(c1C(C)C)C(=O)CN	PC-id_84675241	207.269	COMQFYMCYJQOBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015730
o1c2c(CCC2)c(C(=O)C(C)(C)C)c1N	PC-id_83447119	207.269	ANFFZRLZKVAIAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015731
o1c2C(NC(C)(C)C)C(C(=O)c2cc1)C	PC-id_10655940	207.269	NTBNHIVXUCTZMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015732
O(C(C)(C)C)C(=O)c1c2n(CCC2)cc1	PC-id_85754422	207.269	AKUJQQQFXXLVJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015733
O=C([C@H]1CCn2c1ccc2)OC(C)(C)C	PC-id_118604645,SCHEMBL17369549	207.269	TYERAJCPQKVYIV-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-015734
OC(=O)c1c2c([nH]c1C(C)(C)C)CCC2	PC-id_82395625	207.269	RBQRHLQVJBGOAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015735
OC(=O)c1n(c2c(CCC2)c1C(C)C)C	PC-id_83820245	207.269	XKANLDPQZPGPNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015736
OC(=O)c1n(c(c2c1CCC2)C(C)C)C	PC-id_82611004	207.269	MHODNHZGIBOKBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015737
O(C(=O)c1[nH]c2c(CCC2)c1CC)CC	PC-id_10398116	207.269	JJMKFBHQYFPAMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015738
O(C(=O)c1[nH]c(c2c1CCC2)CC)CC	PC-id_13863059	207.269	IYLPSOLXTHPSSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015739
OC(=O)c1[nH]c(c2c1CCC2)C(C)(C)C	PC-id_82611003	207.269	LNZAQSOZGHPGHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015740
OC(=O)CC1c2c(CC1)cn(c2)C(C)C	PC-id_83908998	207.269	CESNGCPCHKFIDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015741
OC(=O)C(c1c2c([nH]c1C)CCC2)CC	PC-id_84779649	207.269	DUVPRVXJXOPCNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015742
OC(=O)Cc1c2c([nH]c1C(C)C)CCC2	PC-id_84779609	207.269	RMRQCUUHYVLERW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015743
O(C(=O)Cc1c2n(C(CC2)C)cc1)CC	PC-id_85787872	207.269	VBASBVXLFKMCCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015744
O(C(=O)Cc1c2n(CC(C2)C)cc1)CC	PC-id_85839886	207.269	RDNPHZQDCUOLIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015745
OC(=O)C(C1C(C)Cc2c1cn(c2)C)C	PC-id_112716046	207.269	YPBIZHLRJDZWNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015746
OC(=O)CC1CC(n2c1ccc2)C(C)C	PC-id_83638993	207.269	KRWSMWAYIKOCAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015747
O(C(=O)Cc1cn2CC(Cc2c1)C)CC	PC-id_85839888	207.269	QEWMDJULDPWCSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015748
O(C(=O)Cc1cn2C(CCc2c1)C)CC	PC-id_85839890	207.269	YLXJRMQEJWXSKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015749
O(C(=O)Cc1n2C(CCc2cc1)C)CC	PC-id_23269469	207.269	JPHSSDXXPDWJHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015750
O(C(=O)Cc1n2CC(Cc2cc1)C)CC	PC-id_23269470	207.269	CYYDIBJQFPLHEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015751
OC(=O)C(Cc1c2c([nH]c1C)CCC2)C	PC-id_84779645	207.269	KUNPZCDXOLBOTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015752
OC(=O)CC(c1c2c([nH]c1C)CCC2)C	PC-id_84779647	207.269	CIWPJDMBAQYKCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015753
O(C(=O)CCc1n2CC(Cc2cc1)C)C	PC-id_23273205	207.269	JHDHHRYXBLZXFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015754
c1ccc(cc1)C#Cc1cn2c(c1)CCC2	SCHEMBL14249052,PC-id_71117614	207.27	IBJSNSGZXGNGGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-015755
c12CCC(=O)c1c(nn2C(C)C)CCN	PC-id_112711182,MCULE-2330926313	207.272	NKZYVAKDRDVZNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015756
C1Cc2c(C1)nc([nH]2)CN1CCOCC1	PC-id_91470139	207.272	BXFCRMBGAYHEJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015757
C1Cc2[nH]nc(OC3CCCNC3)c2C1	EMOLS-id_313869392,MCULE-8124887798	207.272	ZVSQVBVFVYWXBF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015758
C1Cc2[nH]nc(OC3CCNCC3)c2C1	EMOLS-id_313869904,MCULE-7452812404	207.272	ZKGBZODJJYGLIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015759
C1CNC(C1)CNc1oc2c(n1)CCC2	PC-id_112710061	207.272	JNQXLJGVIBYVMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015760
c1(C(=O)N)c2C(C)CCc2n(C(C)C)n1	EMOLS-id_331042561,MCULE-4412570663	207.272	QCYFWPKEWMLFRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015761
c1(C(=O)N)c2C(C)CCc2n(CCC)n1	MCULE-4112283202,EMOLS-id_331040002	207.272	VPFNIDPBWUNAAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015762
c1(C(=O)N)c2C(C)CCc2nn1CCC	EMOLS-id_330957761,MCULE-6258850263	207.272	HRFCMASWHZHQOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015763
c1(C(=O)N)c2C(C)CCc2nn1C(C)C	MCULE-1311116952,EMOLS-id_330960320	207.272	WGSMYOJNBKDOGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015764
c1(C(=O)NC)c2CCCc2nn1C(C)C	MCULE-4460987179,EMOLS-id_324392528	207.272	IXHUBQOSCAICPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015765
c1(C(=O)N(C)C)c2CCCc2nn1CC	MCULE-3523833932,EMOLS-id_324390239	207.272	CHIFTFHXZBUIKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015766
c1(C(=O)NCCC)c2CCCc2n(C)n1	MCULE-7392460312,PC-id_110388972,EMOLS-id_179744983	207.272	KEENYYQEIBCVPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015767
c1(C(=O)NC(C)C)c2CCCc2n(C)n1	MCULE-8592823899,EMOLS-id_179744986,PC-id_110388973	207.272	XJHTUJAGFSGRJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015768
c1(C(=O)NCCCC)c2CCCc2[nH]n1	EMOLS-id_179744481,MCULE-2031875736,PC-id_110388800	207.272	TWQLXHJHQWWRHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015769
c1(C(=O)N(CC)CC)c2CCCc2[nH]n1	EMOLS-id_179744655,MCULE-9890239770,PC-id_110388862	207.272	POHIZQFNTVDZAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015770
c1(C(=O)NC(C)CC)c2CCCc2[nH]n1	MCULE-4544749438,EMOLS-id_179744487,PC-id_110388802	207.272	IPOXTKCLJHHCOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015771
c1(C(=O)NC(C)(C)C)c2CCCc2[nH]n1	MCULE-5468993817,PC-id_110388865,EMOLS-id_179744664	207.272	DLUUEPYXVIRGQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015772
O1CCC(Cc2n[nH]c3c2CNC3)CC1	PC-id_82395583	207.272	OEBAJNCLXZUUHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015820
c1(C(=O)NCC(C)C)c2CCCc2[nH]n1	PC-id_110388801,EMOLS-id_179744484,MCULE-8949827894	207.272	OSUURVMNZYAOBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015773
c1(C(=O)NC(C)(C)C)cn2c(CCC2)n1	EMOLS-id_321296343,MCULE-1634460667	207.272	FMJWXDKAWDNQRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015774
c1(C(=O)NCCCC)cn2c(CCC2)n1	EMOLS-id_321297618,MCULE-2979056464	207.272	FJBAATSYGHICLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015775
c1(C(=O)NC(C)CC)cn2c(CCC2)n1	EMOLS-id_321298130,MCULE-1893084335	207.272	SXOLRLUVANGQKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015776
c1(C(=O)N(CC)CC)cn2c(CCC2)n1	MCULE-9356780617,EMOLS-id_321295319	207.272	DPFCJQWOWGKPDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015777
c1(C(=O)NCC(C)C)cn2c(CCC2)n1	MCULE-9593540322,EMOLS-id_321297874	207.272	LZNBBMSBDGJNNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015778
c1(NC2CCCNC2)oc2c(CCC2)n1	PC-id_112710065,MCULE-3892575208	207.272	AEJUGJFLNYWCBB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015779
CC1CCc2c1c(C=O)nn2CCCN	EMOLS-id_331004158,MCULE-7963125956	207.272	XINFTHJOAKILSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015780
CC1CCc2nn(CCCN)c(C=O)c12	MCULE-7391990368,EMOLS-id_330988990	207.272	TXHJWJUUHCJHOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015781
Cc1c(CCC2(N)CC2)nc2n1CCO2	PC-id_105460745	207.272	CDWPLVREOXCRCX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015782
Cc1nc2c([nH]1)CN(C2)C(=O)CC(C)C	SCHEMBL15490054,PC-id_89981866	207.272	YIKHHLLJDIBHEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015783
Cc1nc2n(c1CCC1(N)CC1)CCO2	PC-id_105460749	207.272	LHXIDJARRGPKAW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015784
Cc1[nH]nc2c1CN(C2)C(=O)C(C)(C)C	SCHEMBL17232797,PC-id_118491759	207.272	OTAFVWQLQIXYBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015785
CCC1C(=O)Nc2cc(nn12)C(C)(C)C	PC-id_136270100	207.272	YHWLFLJLNASPAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015786
CCc1n[nH]c2c1CN(C2)C(=O)C(C)C	PC-id_118493337,SCHEMBL17234774	207.272	SFRILMYLMACRKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015787
CC(C)(C)n1nc2CCCc2c1C=NO	EMOLS-id_324394578,MCULE-5224998605	207.272	ZCGXGOBSLFDXLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015788
CC(C)(C)n1nc(C=NO)c2CCCc12	EMOLS-id_324387417,MCULE-1119339615	207.272	BGMQLSLPPWDJME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015789
CC(CC(=O)N1Cc2c(C1)c([nH]n2)C)C	SCHEMBL17232800,PC-id_118491761	207.272	GWBDVVWVYQELIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015790
CCCC(=O)NCc1cc2n(n1)CCC2	ZINC22_2325760677	207.272	SXEFCBJGIKEMMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015791
CC[C@@H]1C(=O)Nc2cc(nn12)C(C)(C)C	PC-id_136853988	207.272	YHWLFLJLNASPAH-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015792
CC[C@H]1C(=O)Nc2cc(nn12)C(C)(C)C	PC-id_136853989	207.272	YHWLFLJLNASPAH-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015793
CC[C@@H](N1c2[nH]ncc2C(C1=O)(C)C)C	PC-id_143911386	207.272	KJPFWDUZEORSRZ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015794
CCC(=O)N1Cc2c(C1)[nH]nc2C(C)C	SCHEMBL17229701,PC-id_118489230	207.272	RHHXYZBSBCAPLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015795
CC(n1cc2c(n1)CN(C2=O)C(C)C)C	SCHEMBL12386593,PC-id_58386135	207.272	JMORCCNOULGQRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015796
CC(N1C(=O)Cn2c1ncc2C(C)C)C	SCHEMBL12565965,PC-id_58310105	207.272	IYQHBBJVGRACGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015797
CC(n1nc2c(c1)CN(C2=O)C(C)C)C	PC-id_58386104,SCHEMBL12386590	207.272	MLSREUHNSVPUQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015798
CC(=O)N1Cc2c(C1)cn(n2)C(C)(C)C	SCHEMBL19498039	207.272	QIHAKWFZFPROCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015799
CC(=O)N1Cc2c(C1)n(nc2C(C)C)C	SCHEMBL17229742,PC-id_118489269	207.272	WFTBZEKTTMRHAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015800
CC(=O)N1Cc2c(C1)n(nc2)C(C)(C)C	SCHEMBL19498036	207.272	ZIUTVLOYEZROEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015801
CN1Cc2[nH]nc(COCC3CC3)c2C1	PC-id_97520293,EMOLS-id_44371974,ZINC22_96260215	207.272	ULACBHFZZQLWIZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015802
CN(c1oc2c(n1)CCC2)C1CCNC1	PC-id_112710057	207.272	SMPKRMFEZRVWIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015803
CNCc1c2C(=O)CCc2nn1C(C)C	PC-id_112711193	207.272	IBVYTSKGRCXXQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015804
CNCc1nn(c2c1C(=O)CC2)C(C)C	PC-id_112711183	207.272	WMBHSZZQUDBWGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015805
COC1(Cc2n[nH]c3CCCc23)CNC1	MCULE-4035113870,EMOLS-id_313878864	207.272	INSZBXQRFZKLJJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015806
n1(CC2CCC2)c(CN)c2c(COC2)n1	MCULE-2295088185,EMOLS-id_324402520	207.272	WXNPFFDPNGEGHW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015807
n1(CC2CCCC2)nc2c(CNC2)c1O	EMOLS-id_324340583,MCULE-9366134093	207.272	PQAXFYJFKMANCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015808
n1(CC2CCCC2)nc2c(COC2)c1N	EMOLS-id_324399443,MCULE-9546612207	207.272	WUCPZLISJAXHDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015809
n1(CC2CCCO2)c(C)c2c(CNC2)n1	MCULE-3740624705,PC-id_112487596	207.272	HIECQGVXTLJZCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015810
N1CCC(C1)CNc1oc2c(n1)CCC2	PC-id_112710059	207.272	VGKSXPYJGPYYES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015811
N1CCC(CC1)Nc1oc2c(n1)CCC2	PC-id_112710063	207.272	XRWGMRRTUOMWOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015812
n1c(CN2CCCCC2)oc2CNCc12	MCULE-1357459316,PC-id_83949317	207.272	JZXNWJHKSDGWFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015813
Nc1n(CC2CCCO2)nc2c1CCC2	SCHEMBL2815898,PC-id_67546042	207.272	KVNOQSVXTXICHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015814
Nc1n(C[C@@H]2CCCO2)nc2c1CCC2	PC-id_67546041,SCHEMBL2815897	207.272	KVNOQSVXTXICHE-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015815
NCCc1c2C(=O)CCc2nn1C(C)C	PC-id_112711192	207.272	OATRFAVIEHXHRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015816
NCCN(c1oc2c(n1)CCC2)C1CC1	PC-id_112710051	207.272	ABSQPWWOMNDTFV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015817
o1c2CCCc2nc1CN1CCNCC1	PC-id_83949291	207.272	NXKPVCVVKRTRQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015818
O1C(CCC1)Cn1nc2c(C(NC2)C)c1	PC-id_82395597	207.272	YKSCWMISYPCYJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015819
O1CC(NCC1)Cc1n[nH]c2c1CCC2	PC-id_83858883	207.272	XCSKTGCSKPCYTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015821
o1nc2c(c1CC1CCN(C1)C)CNC2	PC-id_83848501	207.272	YTFPLKUMQZTNLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015822
o1nc2c(c1CC1N(CCC1)C)CNC2	PC-id_83848502	207.272	RCSHQWNYXHIYJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015823
o1nc2c(c1CCN1CCCC1)CNC2	PC-id_83848506	207.272	XHMDCMJEWBFRQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015824
o1nc(c2CCCc12)CN1CCNCC1	PC-id_82507407	207.272	JIMKRHBMDRIIRC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015825
OC1(Cc2n[nH]c3CCCc23)CCNC1	EMOLS-id_313879888,MCULE-9622643906	207.272	ZTEJGDUTFJFKFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015826
O=C1N(c2n(C1(C)C)c(C(C)C)cn2)C	PC-id_70813460,SCHEMBL12970607	207.272	MPVFLLVHYNVXHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015827
O=c1n(CC2CCCN2)[nH]c2c1CCC2	PC-id_105460808	207.272	KCDISDGTSDKHDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015828
O=c1n(CC2CCNC2)[nH]c2c1CCC2	PC-id_105460807	207.272	FDYNHJOZOXGTQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015829
O=C1N(Cc2n1c(cc2C)C)CCCN	PC-id_83680810	207.272	ZTUQTGLLDFVXJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015830
O=Cc1c2CN(Cc2nn1C(C)(C)C)C	PC-id_105460799	207.272	NBBFPSXVLHJLEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015831
OC(C1CCNC1)c1[nH]c2c(n1)CCC2	PC-id_84734182	207.272	NHTIBMSCPSFYRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015832
OCC1CN(C1)Cc1n[nH]c2c1CCC2	EMOLS-id_313698796,PC-id_104461235	207.272	YMYCVASFFFCJIN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015833
OC(C1NCCC1)c1[nH]c2c(n1)CCC2	PC-id_84734181	207.272	OXNSJKBPEJSFAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015834
O=Cc1n(CC(C)C)nc2c1CN(C2)C	PC-id_105460802	207.272	BJYQNUIHFVROQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015835
O=Cc1nn(c2c1CN(C2)C)C(C)(C)C	PC-id_105460775	207.272	XUMSLYYBCUZRQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015836
O=Cc1nn(c2c1CN(C2)C)CC(C)C	PC-id_105460778	207.272	QPWAKSYDGXQWHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015837
O=Cc1n[nH]c2c1CN(C2)CC(C)(C)C	SCHEMBL17224446,PC-id_118484623	207.272	KJIMPTNVAYZTAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015838
O=C(C(C)C)NCc1cnc2n1CCC2	MCULE-2520566178,EMOLS-id_317921973	207.272	XMIDHWZPXXGNKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015839
O=C(C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320111194,MCULE-6654808234	207.272	SLXKQQZKVZQQLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015840
O=CCN1Cc2n(ncc2C1)CC(C)C	PC-id_82395607	207.272	QMDWHNNNVURSQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015841
O[C@@H]1CC[C@H]1NCc1cnc2n1CCC2	PC-id_146135703,ZINC22_719898528	207.272	XMHAMNXWFASVMI-NXEZZACHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015842
O=C(N1Cc2c(C1)c[nH]n2)CC(C)(C)C	PC-id_67977975,SCHEMBL9944477	207.272	YNWWDWJKJNZVIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015843
O=C(N1CCn2nccc12)C(C(C)C)C	PC-id_85562574	207.272	UFHGVKTVHVGJNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015844
O=C(NC1CCn2c1cnc2)C(CC)C	PC-id_21608160	207.272	DFMKOCNSDZSLQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015845
O=C(Nc1n(nc2c1CCC2)C)CCC	PC-id_45536309	207.272	VZWXQBAHQOXKJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015846
c12CCNc1[nH]nc2CN1CCNCC1	MCULE-5632544270	207.275	POXVRRWBBNYDKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015847
C1Cc2nnc(CN3CCNCC3)n2C1	ZINC22_51640127,PC-id_62310051,MCULE-1024384869,EMOLS-id_36840771	207.275	WWHJSBJTBOREAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015848
CN1CCn2c1nc(n2)CCC1(N)CC1	PC-id_105460867	207.275	QRTOHJLONMKJAL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-015849
n12nc(C(C)(C)C)cc1N=NC2CCN	SCHEMBL6303360,PC-id_69736156	207.275	NKBDDAGJQJBHTI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015850
N1(CCNCC1)Cc1[nH]c2c(n1)CNC2	PC-id_83949438	207.275	RJWZGGNEVLUNLZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015851
N1(CCNCC1)Cc1nn2CCCc2n1	PC-id_82611141	207.275	QRDNCHIWJBLXLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-015852
N(C1CNC1)C(c1n2CCCc2nn1)C	PC-id_65959763	207.275	YSXLOXXBEWWZAJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-015853
CC(C)(N=C=O)c1cc2CCCc2s1	EMOLS-id_313848255,MCULE-9455811883	207.292	MKCRCPOLDWSSNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015854
C=CCNC(=O)c1sc2c(c1)CCC2	PC-id_60653786,EMOLS-id_37230358	207.292	SHLKOCQAEAYMIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015855
C=CC(=O)NCc1sc2c(c1)CCC2	PC-id_61208568,EMOLS-id_38138747	207.292	ZBKXREDFFZITCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015856
Nc1c(C(=O)C2CC2)c2c(CCC2)s1	ZINC22_95942463,MCULE-1404295788,PC-id_75481602,EMOLS-id_48671239	207.292	KVXSFRFBZZAOAR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015857
O=C(NC1CC1)c1cc2c(s1)CCC2	ZINC22_20903812,CoCoCo_3645905,MCULE-9944834017,PC-id_29206987,EMOLS-id_37211011	207.292	CFRDKMUXVLMKMB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015858
C1CN=C(N1)CN1Cc2c(C1)csc2	PC-id_18947055,SCHEMBL9408070	207.295	SNERYXUJZDZUOE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015859
CC(C)Cn1nc2CSCc2c1C#N	PC-id_105461038,EMOLS-id_324402768,MCULE-7694038786	207.295	OIFNXICBAUKPQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015860
N#Cc1c2CSCc2nn1C(C)(C)C	PC-id_105461037	207.295	SWZCIAODMKFFST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015861
N#Cc1nn(c2c1CSC2)C(C)(C)C	PC-id_105461032	207.295	FDQHXEGFKJKPLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015862
N#Cc1nn(c2c1CSC2)CC(C)C	PC-id_105461033	207.295	PCBIEKBQIOANJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015863
NC=CC1=Nc2c(C1)sc(n2)C(C)C	PC-id_145188300	207.295	NDIQCZNYGCSMSH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015864
N#CC(NCc1sc2c(n1)CCC2)C	EMOLS-id_266306891	207.295	QTGGWGBFEBCRIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015865
c1(CNCC(C)C)c(C)oc2CCCc12	MCULE-5519575012,PC-id_83610126	207.312	GVXAKDUULBVZKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015866
c1(CNCC)c(CCC)oc2CCCc12	MCULE-9882385252,PC-id_83610349	207.312	PARBNURGNYGRKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015867
CC(c1[nH]c(c2c1OCC2)C(C)(C)C)C	SCHEMBL19324236	207.312	KVYAGJZISPAZKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015868
CNCC1C(C)Cc2c1cc(o2)C(C)C	PC-id_112716093	207.312	OQNFIFOECPDMJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015869
CNCC1C(C)Cc2c1oc(c2)C(C)C	PC-id_112716091	207.312	DNOBCXGPSLUJSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015870
NCC(C1CCc2c1cc(o2)C(C)C)C	PC-id_112716074	207.312	HAQMEPYWFAHILW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015871
NCCC1C(C)Cc2c1cc(o2)C(C)C	PC-id_112716085	207.312	QELMMZIFBQEDJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015872
NCCC1C(C)Cc2c1oc(c2)C(C)C	PC-id_112716083	207.312	QKZZQUDSUCORBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015873
o1c2c(CCC2)c(c1C(C)C)CCNC	PC-id_84675604	207.312	BOLCZKKTPIIMMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015874
o1c2c(CCC2)c(c1C(C)C)CNCC	PC-id_83610277	207.312	COCUXKBIJJITDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015875
o1c2c(CCC2)c(c1CC)CNC(C)C	PC-id_83610200	207.312	YZIGRNIDSMLCJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015876
o1c2c(CCC2)c(c1CC)CNCCC	PC-id_83610201	207.312	OORBORDAQQWYDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015877
o1c2c(CCC2)c(c1C)CNCCCC	PC-id_83610125	207.312	MBUGKMWAKINYPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015878
o1c2c(CCC2)c(CNC(CC)C)c1C	PC-id_83610127	207.312	BTAPIOPLVMBJQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015879
o1c2C(C(CN)C)CCc2cc1C(C)C	PC-id_112716079,MCULE-4010750141	207.312	IMRXQXDJVUTFPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015880
o1c(c(c2c1CCC2)C(N)C)C(C)(C)C	PC-id_83610537	207.312	YFEXFRVNRIJRDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015881
o1c(C(C)(C)C)c(c2c1CCC2)CCN	PC-id_84779862	207.312	JEQIDURSUCFHMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015882
o1c(C(C)(C)C)c(c2c1CCC2)CNC	PC-id_83610491	207.312	KAECLCVIBLEVPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015883
c12CCC(C)c1c(nn2C(C)CC)CN	EMOLS-id_331014651,MCULE-3325494701	207.315	UDJKZIWVQWDAQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015884
c12CCC(C)c1c(nn2C(CC)CC)N	MCULE-7355086747,EMOLS-id_330967794	207.315	BGVDMPBLSUWFQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015885
c12C(C)CCc1n(nc2)CCCN(C)C	EMOLS-id_331020517,MCULE-4464013250	207.315	IRXPLNBDZSNQFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015886
c12C(C)CCc1n(nc2N)CCC(C)C	MCULE-6826227959,EMOLS-id_330965233	207.315	CLTMIFLRZZCJNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015887
c12C(C)CCc1nn(CCC(C)C)c2N	MCULE-7313005549,EMOLS-id_331015331	207.315	QJBKOOHSOORFIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015888
c12C(C)CCc1nn(CCCN(C)C)c2	MCULE-6573023772,EMOLS-id_331003560	207.315	WVNRKRGOPOFLJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015889
c12CCC(C(N)C)c1c(C(C)C)n(C)n2	PC-id_112716133,MCULE-2140524337	207.315	XUMQFRIKRHCIIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015890
c12CCC(NC)c1c(nn2C(C)C)CC	PC-id_112711016,MCULE-2970610110	207.315	JYNLURHPVVQGJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015891
c1(CN)c2C(C)CCc2nn1C(C)CC	EMOLS-id_331001776,MCULE-6092278360	207.315	DIBSARIOMACRIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015892
c1(CN(C)C)c2CCCc2nn1CCC	EMOLS-id_324388191,MCULE-2373926673	207.315	KYZKFKNVEWLBBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015893
c1(N)c2C(C)CCc2nn1C(CC)CC	MCULE-7171213906,EMOLS-id_331017636	207.315	WZIJDMJMMHRVEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015894
CC1CCc2c1c(CN)nn2C(C)(C)C	EMOLS-id_331016186,MCULE-9317834542	207.315	XTDYUGPOXKULBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015895
CC1CCc2c1c(N)nn2CC(C)(C)C	MCULE-1551534026,EMOLS-id_330967282	207.315	JBSYJGMVJYKVRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015896
CC1CCc2c1nc([nH]2)CNC(C)(C)C	PC-id_107447097	207.315	HKDNTSWEEPHGKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015897
CC1CCc2nn(CC(C)(C)C)c(N)c12	MCULE-1306088153,EMOLS-id_331017380	207.315	IMLHJDHJSBXVHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015898
CC1CCc2nn(c(CN)c12)C(C)(C)C	MCULE-7377680269,EMOLS-id_330999226	207.315	SWXDRTILWFMCKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015899
CC(C1CCc2c1c(nn2C)C(C)C)N	PC-id_112716134	207.315	BBXWHCLKOLFOTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015900
CCC1CCc2c1nc([nH]2)C(C(C)C)N	PC-id_102970634	207.315	NMQCJGARXYZKHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015901
CCC1CCc2c1nc([nH]2)C(CC)(N)C	PC-id_102970664	207.315	LMNATJJBAGRRNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015902
CCC1CCc2c1nc([nH]2)[C@H](C(C)C)N	PC-id_102970654	207.315	NMQCJGARXYZKHD-HTLJXXAVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015903
CCC1CCc2c1nc([nH]2)C(NC)(C)C	PC-id_102970653	207.315	RECRYBRLAGGHCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015904
CCC1CCc2c1[nH]nc2NC(C)(C)C	PC-id_116177045	207.315	QYXMTRHGWOJVNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015905
CCC1CCc2c1[nH]nc2NCC(C)C	PC-id_116177047	207.315	VVKBSUGITJQJKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015906
CCc1nn(c2CC(N)Cc12)C(C)(C)C	EMOLS-id_337958173	207.315	JINSHJFULWMTMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015907
CC(c1n[nH]c2c1CN(C2)C(C)(C)C)C	PC-id_118489216,SCHEMBL17229686	207.315	MLSYEGDQNUZUGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015908
CC(C)c1nn(C(C)C)c2CC(N)Cc12	EMOLS-id_337958685	207.315	WCLXGJURVZNLFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015909
CC(C)(C)c1c(CCN)nn2CCCc12	EMOLS-id_324138552,PC-id_84120432	207.315	HTWDHHIFMMZVOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015910
CC(CC(c1ccn2c1N(C)CC2)N)C	PC-id_112487548	207.315	XEUHQGBMKOJBFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015911
CC(CC(c1nc2c([nH]1)CCC2C)N)C	PC-id_102970193	207.315	DBLLFTWSICOEAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015912
CC(C)C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331010475,MCULE-5697150293	207.315	VUTBXXADRJNEIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015913
CC(C)C(C)n1nc(N)c2C(C)CCc12	MCULE-9491871081,EMOLS-id_330967538	207.315	FXCRHLHEABOHCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015914
CCCCn1nc2c(c1N)C(CC2)(C)C	EMOLS-id_42572777,PC-id_79866384	207.315	DYAJPWNJHJHHIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015915
CC(C)Cn1nc2CCC(C)c2c1CN	MCULE-1617747252,EMOLS-id_330999992	207.315	FCVGFFHWQKUOKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015916
CC(C)Cn1nc(CN)c2C(C)CCc12	EMOLS-id_331016952,MCULE-8688322295	207.315	VVXVTKGIDVISBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015917
CC(CN1Cc2c(C1)c(n[nH]2)C(C)C)C	SCHEMBL17229669,PC-id_118489205	207.315	TYDVTCASYFEMNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015918
CCCn1nc2c(c1)CN(C2)C(C)(C)C	SCHEMBL19498034	207.315	STOKGWKVTVLLBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015919
CC(Cn1nc2c(c1N)C(CC2)(C)C)C	PC-id_79866228,EMOLS-id_42572753	207.315	IQPQNYLSMFGBCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015920
CCC(n1nc2c(c1N)C(CC2)(C)C)C	PC-id_79866494,EMOLS-id_42572779	207.315	ZNENNLGWIROMME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015921
CC(C)n1nc(CN(C)C)c2CCCc12	EMOLS-id_324388949,MCULE-8012370495	207.315	MFCYHJJLMRQFIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015922
CC(CNc1[nH]nc2c1CCC2(C)C)C	PC-id_79863592,EMOLS-id_42571367	207.315	IBVYKNWXPUJRGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015923
CCCNc1n[nH]c2c1C(C)(C)CC2C	PC-id_106664106	207.315	QEBIARHWBXWVIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015924
CCCNCc1nc2c([nH]1)CCC2(C)C	PC-id_79862243,EMOLS-id_42571507	207.315	HAXDZBIBZDJNBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015925
CC(n1nc2c(c1)CN(C2)C(C)(C)C)C	SCHEMBL19498035	207.315	IPTYFGIIJAZDCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015926
CC(n1ncc2c1CN(C2)C(C)(C)C)C	SCHEMBL19504464	207.315	CZRCBAXQKPTCKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015927
CC(Nc1[nH]nc2c1CCC2(C)C)(C)C	EMOLS-id_42571365,PC-id_79863483	207.315	VSYUPGCHHGBWRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015928
CC(Nc1n[nH]c2c1C(C)(C)CC2C)C	PC-id_106664107	207.315	JYBLCSVPAKIIAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015929
CC(NCc1nc2c([nH]1)CCC2(C)C)C	PC-id_79862343,EMOLS-id_42571509	207.315	HGWCXLKRDCTYNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015930
CNCC1CCc2c1c(C(C)C)n(n2)C	PC-id_112716144	207.315	RACITZOWHWYMEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015931
CNCC1C(C)Cc2c1c(n[nH]2)C(C)C	PC-id_112716143	207.315	KDODGCDKOCCRCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015932
CNCc1nn(CC(C)C)c2CCCc12	MCULE-5187811783,EMOLS-id_324386901	207.315	USEMUJSVMTXIQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015933
n12c(CCC1)c(nc2CCN)CC(C)C	PC-id_84120333	207.315	JOAJIJHLSSNEDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015934
n12c(CCC1)c(nc2CCN)C(C)(C)C	PC-id_84120334	207.315	VRXLPJJJWBSOHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015935
n12c(CCC1)c(nc2CCNC)C(C)C	PC-id_84120337	207.315	LFRPDTVTHSQXSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015936
n12c(CCC1)c(nc2CNC)CC(C)C	PC-id_84120335	207.315	FLLIUKMVABUBNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015937
n12c(CCC1)c(nc2CNC)C(C)(C)C	PC-id_84120336	207.315	VCORQWAIOGTDNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015938
n12nc(c(c1CCC2)CC(C)C)CCN	PC-id_84120431	207.315	LXRTXLUOAKQPRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015939
N1(Cc2c([nH]c(c2CCN)C(C)C)C1)C	PC-id_84779872	207.315	JAKHJNCJMHWZRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015940
n1(nc2c(C(CC2)(C)C)c1N)C(C)(C)C	PC-id_79866632,EMOLS-id_42572759	207.315	WHBWSIJFJQXGFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015941
n1(nc2c(C(CC2)CCN)c1C(C)C)C	PC-id_83909106	207.315	QTPDOVHIZDXGMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015942
n1(nc(c2C(CCc12)CCN)C(C)C)C	PC-id_83861602	207.315	RPQNRKHOEYIYFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015943
n1(nc(c2C(CCc12)CNC)C)C(C)C	PC-id_83861443	207.315	WRQFYJPCDRBXER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015944
n1(nc(c2C(CCc12)CN)C(C)(C)C)C	PC-id_83861571	207.315	LNHIAIYBKVCDTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015945
n1(nc(c2C(CCc12)CNC)C(C)C)C	PC-id_83861604	207.315	WSAIGPZFCYVPTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015946
n1(nc(c2C(NC)CCc12)C(C)(C)C)C	PC-id_83861566	207.315	KMJOMZKIZHYGAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015947
NCC1CCc2c1c(CC)nn2C(C)C	PC-id_112711018	207.315	MVWDUHSEPCXKGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015948
NCC1C(C)Cc2c1c(C(C)C)n(n2)C	PC-id_112716149	207.315	DKPAGSMUWJMUMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015949
NCC1C(C)Cc2c1c(nn2C)C(C)C	PC-id_112716150	207.315	QPLPIOHEXUCTDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015950
NCCC1CCc2c1c(C)nn2C(C)C	PC-id_112711020	207.315	ICLLUOFTTMWHHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015951
NCC(C1CCc2c1c(n[nH]2)C(C)C)C	PC-id_112716118	207.315	KOIGJYPHRXBMDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015952
NCCC1C(C)Cc2c1c(n[nH]2)C(C)C	PC-id_112716127	207.315	YPFMTCKJQDMCTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015953
NCC(c1nc2c([nH]1)CCC2C)C(C)C	PC-id_107444415	207.315	BAPUGKZLZKSJAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015954
NC(C(C)(C)C)c1ccn2c1N(C)CC2	PC-id_112487547	207.315	IFGKGCWTDMSIEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015955
N[C@@H](C(C)(C)C)c1nc2c([nH]1)CCC2C	PC-id_102970217	207.315	JCQAQFIDDSCMOD-OMNKOJBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015956
[nH]1c(C(C)(C)C)c(c2c1CNC2)CCN	PC-id_84779870	207.315	BVZCMOJNLSWGBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015957
[nH]1c(C(C)(C)C)c(c2c1CN(C2)C)CN	PC-id_84779871	207.315	DKWGTQBHZYFFCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015958
[nH]1nc(c2C(CCc12)CCN)C(C)(C)C	PC-id_83861621	207.315	DIRABTIHMCGSTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015959
[nH]1nc(c2C(CCc12)CNC)C(C)(C)C	PC-id_83861623	207.315	UGYMSKDYYMMTPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015960
C1CC(C1)CNC1CCc2c1scc2	EMOLS-id_266308285	207.335	GZHJKWQRTIHCCR-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-015961
C1CC(C1)NCc1sc2c(c1)CCC2	EMOLS-id_38583523,PC-id_61778452	207.335	PXYYQHIXGJWLNJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-015962
C1CCC(C1)NC1CCc2c1scc2	EMOLS-id_266308269	207.335	OPMDYRLLRGFLRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015963
CC1Cc2c(C1NC1CC1)cc(s2)C	PC-id_112716171	207.335	OQKYPUGIHYFZOY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015964
CC1Cc2c(C1NC1CC1)sc(c2)C	PC-id_112716170	207.335	SLFXDQRVFHSMJH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015965
CC1CC(C1)NC1CCc2c1scc2	EMOLS-id_266308133	207.335	GOUNWFQXLNTLQZ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-015966
CC1(CCC1)NC1CCc2c1scc2	EMOLS-id_266308159	207.335	JCJLRQHKYAAHDL-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-015967
CC1CCc2c1c(CNC1CC1)cs2	PC-id_114749027,EMOLS-id_266308091	207.335	SBDYGZRUMWQRIK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015968
C(C1CCCN1)c1cc2CCCc2s1	EMOLS-id_313851327,MCULE-3310795801	207.335	RSCUKYNRVGJVTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015969
C(C1CCNC1)c1cc2CCCc2s1	MCULE-5482596842,EMOLS-id_313836471	207.335	NKZHGHBIAXIGNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015970
CC1(CNC2CCc3c2scc3)CC1	EMOLS-id_107428707	207.335	BCGYFDOVMIRSDM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015971
CC(c1c2CCCc2[n+](n1C)C(C)C)C	SCHEMBL14803311,PC-id_89458134	207.335	NFNWYNOKTYAGNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015972
CC(c1sc2c(c1)CCC2)NC1CC1	PC-id_115704628,EMOLS-id_266308201	207.335	FXLWQOXONXIACM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015973
CC(=CC(c1sc2c(c1)CCC2)N)C	PC-id_105004491,EMOLS-id_266308249	207.335	KSNGQJVRXLIKDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015974
C=CCC(c1sc2c(c1)CCC2)NC	PC-id_115813814	207.335	UNVDYIFKXCACOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015975
CC(=C)CC(c1sc2c(c1)CCC2)N	EMOLS-id_266308251,PC-id_105003863	207.335	KOVSVUUDIBTEEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015976
C=CCCC(c1sc2c(c1)CCC2)N	PC-id_104987308	207.335	WLPCCSXKSSJGMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015977
CC(=CCNC1CCc2c1scc2)C	EMOLS-id_266308247	207.335	UAFKEYCRIIKUHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015978
C=CCCNCc1sc2c(c1)CCC2	EMOLS-id_40415449,PC-id_64316724	207.335	ZVNIIINZPPYHPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015979
C/C=C/CNCc1sc2c(c1)CCC2	PC-id_107898830	207.335	XFZVEGPOBYEDMZ-NSCUHMNNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015980
C=CC(NCc1sc2c(c1)CCC2)C	PC-id_107906710	207.335	DSGXNKNRMWAGMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015981
CCNC(c1sc2c(c1)CCC2)C=C	PC-id_105001069	207.335	YRGDQYNICRSNJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015982
CNC1(Cc2cc3CCCc3s2)CC1	EMOLS-id_313874504,MCULE-2697916140	207.335	GGAPPJPWDDNKME-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015983
CNC(c1sc2c(c1)CCC2)C1CC1	PC-id_104994048,EMOLS-id_266308015	207.335	RUMDKVIGZSSTOC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015984
CNC(c1sc2c(c1)CCC2)C(=C)C	EMOLS-id_266308021,PC-id_105005037	207.335	KCOUQTYORVHCSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015985
NC1(CCc2cc3CCCc3s2)CC1	EMOLS-id_313850554,PC-id_105461247,MCULE-4257482780	207.335	JBZMMAPDGQWYRH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015986
NCC1(Cc2cc3CCCc3s2)CC1	MCULE-6384072256,EMOLS-id_313838261	207.335	QEMJGXWRMHHHAF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015987
NC(c1sc2c(c1)CCC2)C1CCC1	EMOLS-id_266307739,PC-id_105049366	207.335	HONXISQULQALNC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-015988
NC(c1sc2c(c1)CCC2)CC1CC1	EMOLS-id_266307729,PC-id_104986332	207.335	XRZZHUWRRMLKFN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015989
N(Cc1sc2c(c1)CCC2)CC1CC1	PC-id_60984046,EMOLS-id_37994292	207.335	PDKNUZJTJDZWMM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015990
s1c2CC(=Cc2nc1C(C)C)C(C)C	PC-id_58310268	207.335	KMLJCXOJXIAMMM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015991
s1c2c(C(NC3CC3)CC2)cc1CC	PC-id_83909146	207.335	MBTGQMRJLDPAKP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015992
s1c2C(NC3CC3)CCc2cc1CC	PC-id_83909144	207.335	PUCGWIZFAYWIGV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-015993
s1c(CNCC(=C)C)cc2CCCc12	EMOLS-id_38951739,MCULE-9347759971,PC-id_62331353	207.335	UGIFMGZWZHJDLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-015994
[Si](c1n2C[N+](=Cc2cc1)CC)(C)(C)C	PC-id_23380178	207.367	FTUMWSVQPYQXTC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-015995
S1Cc2sc(=[S+]C)sc2C1	PC-id_10570259	207.38	MLECAFFGYHKXNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015996
[S+]1(Cc2sc(=S)sc2C1)C	PC-id_10760732	207.38	QWLWSBRABOXGFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015997
c12c(Cl)cnn1CCN2CC(F)F	MCULE-4171309073,EMOLS-id_317865214	207.608	SOXFPCBLGZWIED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015998
c12cc(nn1CCN2CC(F)F)Cl	MCULE-3439586139,EMOLS-id_320441367	207.608	MNCOFCKVONNCTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-015999
[B]c1c2c(c(s1)[B])C(=O)C(C2=O)(F)F	PC-id_89130441	207.758	ZDYSCLJQVMKUQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016000
CC(=C)C1=C2CN(CC2=CS1)C(=O)[O-]	PC-id_154493516	208.044	MLXSTBSHBHHJKK-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-016001
CCOC(=O)C1=CC2=C(C1)SC=C2C	PC-id_160477862	208.056	BJHYQMLCWWRNCL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-016002
C1CN2C(=C(C=N2)CCC(=O)[O-])N1C=O	PC-id_153833299	208.073	GBGQINRNRFRLFS-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-016003
CC1=NN(C2=C1CNC2=O)C(=O)N(C)C	PC-id_153942393	208.096	CYPFEYADZXYPAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016004
c1(CCl)c2CNCc2sc1Cl	EMOLS-id_331063598,MCULE-1479714824	208.108	MTKDARSNCPFEOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016005
Cc1nn2c(c1N)CN=C2[Si](C)(C)C	PC-id_163891970	208.114	DNDYNQADAPLTOQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016006
OC(=O)c1scc2c1OC(O2)(F)F	PC-id_112545452	208.139	MXLJDAQKEZHVHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016007
Cn1c2c(CCC2(F)F)c(n1)C(F)F	PC-id_134467284,SCHEMBL20104932	208.156	VWVBNYMTSDEQMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016008
Cn1c2c(CC(C2)(F)F)c(n1)C(F)F	SCHEMBL15730338,PC-id_90167788	208.156	JKJPSNIOLSQPDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016009
CC(C)C1(C(CC2=C1C=NO2)N)C(C)C	PC-id_155091651	208.158	TZDGXXCULOSWNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016010
CC(C)C1([C@@H](CC2=C1ON=C2)N)C(C)C	PC-id_153482803	208.158	QEXGEOJOBWFIOB-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016011
CC(C)C1([C@@H](CC2=CON=C21)N)C(C)C	PC-id_153482786	208.158	JLBKMMYRHQMKAW-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016012
O=C1n2c(C(=O)N1CC(=O)O)ccc2C	PC-id_83680797	208.171	YLJXPKLKAYZGLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016013
O=C1N(CCC(=O)O)C(=O)c2n1ccc2	PC-id_83680802	208.171	SCCNYPRDRXHHCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016014
O=C1n2c(N=C1CC(=O)OC)nnc2C	PC-id_51575753	208.174	JEMOGDHJDHDJGK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016015
O=C1N(C(=O)c2nn(c(N)c12)C(=O)C)C	PC-id_24976372	208.174	PFZAVJSFIZACKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016016
O=CN1C(/C=C/[N+](=O)[O-])Cn2c1ccn2	PC-id_141059812	208.174	PONXLXMYVNOAIT-DUXPYHPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016017
O=CN1CCn2c1c(cn2)/C=C/[N+](=O)[O-]	SCHEMBL5150462,PC-id_17961966	208.174	QEAJMNMXFGSWDS-OWOJBTEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016018
O=CN1CCn2c1c(cn2)C=C[N+](=O)[O-]	SCHEMBL5150465,PC-id_73413950	208.174	QEAJMNMXFGSWDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016019
O(C(=O)c1c2n(nc1C)C(=O)N=N2)CC	PC-id_77115940	208.174	YKPORRQBOWTBQM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016020
O(C(=O)C1CCn2c1c(cc2)C(=O)[O-])C	PC-id_74594577	208.191	CVBXYEQRFRJNQS-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-016021
O(C(=O)[C@@H]1CCn2c1c(cc2)C(=O)[O-])C	PC-id_29415911	208.191	CVBXYEQRFRJNQS-SSDOTTSWSA-M	00000010100000000000000010000000000000000000000000000000	25-01-016022
O(C(=O)[C@H]1CCn2c1c(cc2)C(=O)[O-])C	PC-id_29415915	208.191	CVBXYEQRFRJNQS-ZETCQYMHSA-M	00000010100000000000000010000000000000000000000000000000	25-01-016023
Cn1c2c(CSC2)c(n1)C(F)(F)F	PC-id_90167679,SCHEMBL15730226	208.204	UXYRZODPGUYAID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016024
Cn1c(c2CSCc2n1)C(F)(F)F	SCHEMBL15730351,PC-id_90167799	208.204	KFOWNJMDSLURPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016025
FC(F)(F)Cn1cc2CSCc2n1	MCULE-6751333977,EMOLS-id_324397655	208.204	PVSKNKTVHHVABO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016026
s1c2C(NCc2nc1C(F)(F)F)C	PC-id_82374900	208.204	RRMGDPNGBGUVAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016027
SC1CCn2c1c(nc2)C(F)(F)F	PC-id_82395476	208.204	XBJPQHGOICRUQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016028
c1(C(=O)OCC)c(C)oc2CCC(=O)c12	EMOLS-id_31521159,ZINC22_38701055,MCULE-9845935395,PC-id_43839803	208.211	BIKCTZGLAWADQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016029
o1c2CCCc2cc1C(=O)CC(=O)OC	PC-id_82659791	208.211	MKNZMPXNGNESKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016030
O(c1occ2c1C(=O)OC2)CCCC=C	PC-id_11085042	208.211	XTPZSMCNIYDNMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016031
O=C(c1oc2c(c1)C=C=C2)c1ccccc1	PC-id_144798947	208.212	BFBMZPMMDLNCDM-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-016032
c12=C(C(N=c2[nH]c(c1)OC)C)C(=O)OC	MCULE-6090131762	208.214	GOOSCJMSJVYBGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016033
c1(C(=O)O)c2COCc2nn1CC1CC1	EMOLS-id_324401749,MCULE-8610207769	208.214	MUCIYYKXBGCHOB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016034
CC1CCc2c1c(C=O)nn2CC(=O)O	EMOLS-id_331004157,MCULE-3699484608	208.214	HSNQCVGUZSZHMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016035
CC1CCc2nn(CC(=O)O)c(C=O)c12	EMOLS-id_330989245,MCULE-8905889677	208.214	FRNMPOHWBCWFMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016036
Cc1nn(c2c1CC(C2)C(=O)O)C(=O)C	SCHEMBL19768746,PC-id_134168014	208.214	LHXLXNVETBJFIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016037
CCOC(=O)C1Cc2c(C)[nH]nc2C1=O	EMOLS-id_336464123	208.214	WHIOKTGLNBOKMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016038
CCOC(=O)c1[nH]c2c(c1C)C(=O)NC2	SCHEMBL13083617,PC-id_70836259	208.214	CKRGAWXFDOSGBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016039
CCOC(=O)c1nn(C)c2CC(=O)Cc12	EMOLS-id_337807601	208.214	VUBBGHHYASLNDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016040
CCOC(=O)C(=O)c1ncn2CCCc12	EMOLS-id_331317522	208.214	WZFJGANMULGJPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016041
CC(=O)NC1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_70292827,SCHEMBL8167570	208.214	RVAILISYZVWNHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016042
CC(=O)NC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL8163961,PC-id_70292104	208.214	IPIWIAHJEIVKMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016043
CC(=O)NC1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL8163955,PC-id_70292101	208.214	WVDLEMBCUUZUBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016044
CC(=O)N[C@H]1Cc2c(C1)cc([nH]2)C(=O)O	PC-id_57659848,SCHEMBL12777459	208.214	RVAILISYZVWNHC-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016045
CC(=O)N[C@H]1CCc2c1cc([nH]2)C(=O)O	SCHEMBL12777474,PC-id_57659878	208.214	IPIWIAHJEIVKMH-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016046
CC(=O)N[C@@H]1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL12777450,PC-id_57659837	208.214	WVDLEMBCUUZUBN-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016047
COC(=O)CC(=O)c1n[nH]c2c1CCC2	EMOLS-id_313882970,MCULE-3956732839,ASN-22917557	208.214	NUJPVVWEEUQQHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016048
o1nc2c(C(=O)N(C(CC)C)C2=O)c1C	PC-id_85635115	208.214	RNEGWYNDWKCHNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016049
o1nc2C(=O)N(C(C)(C)C)C(=O)c2c1C	PC-id_14990286,SCHEMBL9257466	208.214	VUPSDESLIHARMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016050
O=C1c2c(n(nc2C(=O)O)C(C)C)CC1	PC-id_83863435	208.214	ICFKGGSUHFACON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016051
O=C(c1[nH]c2CCCc2n1)CCC(=O)O	PC-id_84734234	208.214	NUYYZFSQSJZQMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016052
OC(=O)c1c2C(=O)CCc2nn1C(C)C	PC-id_112711191	208.214	BNFQMBMTXBMJJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016053
OC(=O)Cc1cn2c(c1C(=O)C)NCC2	PC-id_96616225	208.214	NISFJBACUYFTMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016054
OC(=O)Cc1[nH]cc2c1CN(C2)C(=O)C	PC-id_96771325	208.214	NBMUNJSGNXRXTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016055
CC(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	SCHEMBL2922184,PC-id_68441876	208.217	IILBELJPCAXCFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016056
O=C1NC(c2c1n(nc2C)C(=O)N)(C)C	PC-id_141428186	208.217	OZBMEGJVLYVWAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016057
O=C1NC(c2c1nn(c2C)C(=O)N)(C)C	PC-id_141428198	208.217	IYZHCUFWPBYDAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016058
O=C1N(CCCN)C(=O)c2n1c(nc2)C	PC-id_83680791	208.217	GRKOGOSFEMYNTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016059
O=CCN1Cc2n(ncc2C1)CC(=O)N	PC-id_82395433	208.217	LYUTZBLNKCDPLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016060
C1Cc2c(C1)[nH]nc2C(=O)NN=C(N)N	PC-id_137718167	208.22	JWODAMNJRFZHOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016061
c1(C#N)c(N)sc2CC(C(=O)O)Cc12	PC-id_102568738,MCULE-5123702753,EMOLS-id_50379827	208.237	TZPXGRASTBADTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016062
CC=C1C(=O)c2c(C1=O)c(sc2N)N	PC-id_145624456	208.237	DTRCKAJHPVOTTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016063
N#Cc1c(N)sc2c1C[C@H](C(=O)O)C2	PC-id_99996019,ZINC22_217899754	208.237	TZPXGRASTBADTA-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016064
N#Cc1c(N)sc2c1C[C@@H](C(=O)O)C2	ZINC22_217899680,PC-id_99996017	208.237	TZPXGRASTBADTA-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016065
N#CCc1nc2c(s1)CCC2C(=O)O	PC-id_104287316	208.237	INIJLCWNRPTWPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016066
N#CNc1sc2c(c1C(=O)O)CCC2	MCULE-2447793006	208.237	TUNKSSSCFLPGPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016067
OC(=O)C(C1CC1)c1c2[n+]([nH]c1)CCN2	PC-id_82395384	208.237	PAOXGBCPNWJWHH-UHFFFAOYSA-O	00100010100000000001000010000000000000000000000000000000	25-01-016068
s1c2c(C(CC2)C(=O)O)c(c1N)C#N	PC-id_83669362	208.237	ZIDGSYUGNCWIOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016069
s1c2c(nc1C)C(=O)N(C2=O)CC=C	PC-id_85635039	208.237	OMXZYEMKYSVUPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016070
n12ncnc1sc(=CNC1CC1)c2=O	MCULE-8120908621	208.24	MBCYIPJWPWKARE-UHFFFAOYSA-N	00100000100000000001000010000000000000000000000000000000	25-01-016071
N#Cc1c(NC(=O)C)nc2n1CCS2	EMOLS-id_111033976	208.24	BPNVWLIWHUCDLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016072
O=c1/c(=C/NC2CC2)/sc2ncnn12	ZINC22_618254980	208.24	MBCYIPJWPWKARE-UTCJRWHESA-N	00100000100000000001000010000000000000000000000000000000	25-01-016073
OCCN(C1=Cc2c([N]1)nc([nH]2)N)CC	SCHEMBL6027839	208.24	ZCMDJUOJVMWYPH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016074
[nH]1nnc(n1)Nc1sc2c(n1)CCC2	MCULE-8398637903	208.244	YQEVWHFGGIMQLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016075
CC1Cc2c(C1CC(=O)O)cc(o2)CC	PC-id_112716189	208.254	KXXZMIOUGXJFAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016076
CC1Cc2c(C1CC(=O)O)oc(c2)CC	PC-id_112716188	208.254	YTMAURODISXOGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016077
CC1Cc2c(C1C(=O)O)cc(o2)C(C)C	PC-id_112716199	208.254	ALINSUAKQXRHRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016078
CC1Cc2c(C1C(=O)O)oc(c2)C(C)C	PC-id_112716197	208.254	IMSDEDJSBKTTRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016079
o1c2c(CCC2)c(c1CC)CCC(=O)O	PC-id_83610266	208.254	XSJUNIABFXGLKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016080
o1c2c(CCC2)c(c1C(C)C)CC(=O)O	PC-id_83610291	208.254	HHBWMIYKLHNEOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016081
o1c2c(CCC2)c(c1CCC)CC(=O)O	PC-id_83610363	208.254	HDSBETDBOIEWNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016082
o1c2c(CCC2)c(c1C(C)(C)C)C(=O)O	PC-id_83610487	208.254	GTCBVQJSTSILKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016083
o1c2C(CCc2cc1C(C)C)CC(=O)O	PC-id_83909206	208.254	JSCDKRGVTLKLHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016084
o1c2C(CCc2cc1CC)C(C)C(=O)O	PC-id_83909210	208.254	QOCOCBKFYKZEJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016085
o1c2c(CCC2)c(CC(C)C(=O)O)c1C	PC-id_84780196	208.254	ICSDLSGKBCHCPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016086
o1c2c(CCC2)c(C(CC)C(=O)O)c1C	PC-id_84780202	208.254	OTJWJYUOYKCWNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016087
o1c2c(C(CC2)C(C)C(=O)O)cc1CC	PC-id_83909211	208.254	VTXPNFLILZIHHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016088
o1c2c(C(CC2)CC(=O)O)cc1C(C)C	PC-id_83909208	208.254	HEQFPYWNBOVWSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016089
o1c2c(c(C(CC(=O)O)C)c1C)CCC2	PC-id_84780199	208.254	BDTPFBIOVXTQBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016090
o1c(c2CCCc2c1C(=O)O)C(C)(C)C	PC-id_82376320	208.254	XFYXFHUUJJARCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016091
o1c(CCCCC)c2c(c1C)C(=O)OC2	PC-id_10353006	208.254	BKTCCZXDMKSRJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016092
C1(Cc2c(n[nH]c2C1)C(=O)O)C(CC)C	PC-id_49862074,CHEMBL1208921,BindingDB_PC-id_49862074	208.257	ILEXWWRONKLMQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016093
c1(CC(=O)O)c2CCCc2nn1C(C)C	EMOLS-id_70118738,PC-id_112711076,MCULE-5191579591	208.257	AOICGULDSGAWSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016094
C1CNC(CO1)Cc1onc2c1CCC2	PC-id_112710839	208.257	NBSGINZTPBVZSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016095
c1(C(=O)O)c2CCCc2n(CC(C)C)n1	MCULE-5000116331,PC-id_105461794,EMOLS-id_324388177	208.257	KZAPPNQFHUJJDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016096
c1(C(=O)O)c2C(C)CCc2n(CCC)n1	EMOLS-id_330985978,MCULE-2210619244	208.257	IVEKTSNDWKRFBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016097
c1(C(=O)O)c2C(C)CCc2n(C(C)C)n1	EMOLS-id_330988537,MCULE-6484446394	208.257	KFUNUSKWXBDRTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016098
c1(C(=O)O)c2C(C)CCc2nn1C(C)C	EMOLS-id_330972858,MCULE-3395414929	208.257	WDBWKPCLKUQRTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016099
c1(C(=O)O)c2C(C)CCc2nn1CCC	MCULE-4457011692,EMOLS-id_330970299	208.257	VAQPOSQLZNWBLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016100
c1(C(=O)OC)c2CCCc2n(CCC)n1	EMOLS-id_324390225,MCULE-8294521410	208.257	PPOKKYYYPRXMQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016101
c1(C(=O)OC)c2CCCc2nn1CCC	EMOLS-id_324390491,MCULE-7728284001	208.257	NRJUBBRCLHKVTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016102
c1(C(=O)OC)c2CCCc2nn1C(C)C	PC-id_121214341,MCULE-4344718676,EMOLS-id_70118652	208.257	OPWTZPYAMRLUML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016103
c1(C(=O)OC)c2C(C)CCc2n(CC)n1	MCULE-5528050929,EMOLS-id_330993904	208.257	AXXZBACWMUQNBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016104
c1(C(=O)OC)c2C(C)CCc2nn1CC	EMOLS-id_330981040,MCULE-9311905930	208.257	CPCLPBDOVGJGFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016105
c1(C(=O)OCC)c2CCCc2n(CC)n1	MCULE-6310156905,EMOLS-id_324388178	208.257	YPNBKBQJEVJDIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016106
c1(C(=O)OCC)c2CCCc2nn1CC	MCULE-8161433557,EMOLS-id_324388188	208.257	RHHAVNQXJYNWAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016107
c1(C(=O)OCC)c2C(C)CCc2n(C)n1	EMOLS-id_330999286,MCULE-2497538628	208.257	NRTFWKRFLKKMAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016108
c1(C(=O)OCC)c2C(C)CCc2nn1C	MCULE-3325134367,EMOLS-id_330985398	208.257	RKWIQQISAYJCJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016109
CC1Cc2c(C1C(=O)O)c(n[nH]2)C(C)C	PC-id_112716243	208.257	REWURLTZKHIWBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016110
CC1Cc2c(C1)[nH]cc2CC(C(=O)O)N	PC-id_112487464	208.257	FTAWZHKJMWRYFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016111
CC1CCc2c1c(C=O)nn2CCCO	EMOLS-id_331002878,MCULE-1679683221	208.257	CINIYYNRKZFJGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016112
CC1CCc2nn(CCCO)c(C=O)c12	MCULE-3350567195,EMOLS-id_330987966	208.257	LBJIIFNGJIELRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016113
CC1C(=O)n2c(=O)c(c(n2C1(C)C)C)C	PC-id_92018461	208.257	OAQLDHIPKIOQBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016114
CCCc1c(CC(=O)O)cn2c1NCC2	PC-id_98773406	208.257	NAWCODNPAYFVHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016115
CC(CCc1n[nH]c2CCCc12)C(=O)O	MCULE-5673566075,EMOLS-id_313868882	208.257	KNAOZXZDDITYRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016116
CC(C)(Cc1n[nH]c2CCCc12)C(=O)O	PC-id_83858894,MCULE-7948827691,EMOLS-id_313882969	208.257	LXXWETQQWSYQCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016117
CC(C)C(C(=O)O)c1cc2CCCn2n1	EMOLS-id_324140599	208.257	WPGMNMVIWGNZKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016118
CC(C)C(C(=O)O)c1cnc2CCCn12	EMOLS-id_259660273,MCULE-9201535933	208.257	SIWFLWGWXAEIMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016119
CC(C)C(C(=O)O)c1n[nH]c2CCCc12	MCULE-4700296018,PC-id_83858877,EMOLS-id_313892435	208.257	POZXEJSXFLQROW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016120
CC(C)(CC(=O)O)c1n[nH]c2CCCc12	PC-id_83858893,EMOLS-id_313884507,MCULE-6032786435	208.257	MAWNAMPTFHWJBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016121
CCCCOC(=O)C1CCc2n1cnc2	PC-id_140296009	208.257	CXHNTUJLQCPFIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016122
CCCCOC(=O)C1CCc2n1ncc2	PC-id_70794384,SCHEMBL12892179	208.257	PBZKBXXBIGRROP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016123
CC(C)(C)OC(=O)c1cn2CCCc2n1	PC-id_46942084,MCULE-4759140384,ZINC22_66347520,EMOLS-id_60181174	208.257	NPTINIWEOCJMLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016124
CCC(C(=O)O)c1c2CCCc2nn1C	MCULE-6606526672,EMOLS-id_259658911	208.257	ACPRJKXYWDPTDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016125
CC(Cn1nc2c(c1C(=O)O)CCC2)C	PC-id_105461806	208.257	VPUZWMUYRKFLNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016126
CC(C)n1nc(CC(=O)O)c2CCCc12	EMOLS-id_337957401,PC-id_112711031	208.257	BRSXABKYQPTWSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016127
CCn1nc2c(c1C(=O)O)CCC2(C)C	SCHEMBL5906713,PC-id_45094879	208.257	PNHNPSKIGBDXDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016128
CCn1nc(c2c1C(C)(C)CC2)C(=O)O	PC-id_69602547,SCHEMBL5906587	208.257	LYQKJCMSWRJUSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016129
CCOC(=O)c1c2CCC(C)(C)c2[nH]n1	EMOLS-id_282992466,MCULE-6641310703,SCHEMBL11901440,PC-id_57561766,SCHEMBL1149530	208.257	GAQOABBNTKQSBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016130
CCOC(=O)c1cc2CC(C)(C)Cn2n1	PC-id_21057703,EMOLS-id_337738644,SCHEMBL3549149	208.257	OUXQIBFTSBUPKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016131
CCOC(=O)c1[nH]c2c(n1)CC(C2)(C)C	PC-id_145711212	208.257	ULVCXJSGDXZJAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016132
CCOC(=O)Cn1cc2C(C)CCc2n1	MCULE-2298247366,EMOLS-id_331002792	208.257	CNQWVVOTYQLCBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016133
CCOC(=O)Cn1ncc2C(C)CCc12	MCULE-5139176738,EMOLS-id_331019749	208.257	ZSBGZURTJPPCKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016134
Cn1nc2CCCc2c1C(C)(C)C(=O)O	EMOLS-id_259658914,MCULE-8074370157	208.257	MYHLTIVJHCGJNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016135
COC(=O)C1(N)C(C)Cc2c1cn(c2)C	PC-id_112716218	208.257	RJMLRCJDRZXBSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016136
COC(=O)C(C)c1c2CCCc2nn1C	EMOLS-id_259658917,MCULE-9507768985	208.257	LTIPGFHZZXGNHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016137
n1c2CCCn2c(C)c1C(CC(=O)O)C	MCULE-1787393388	208.257	UCDGJPOLUVFFNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016138
n1c(CC)c2n(CCC2)c1CCC(=O)O	PC-id_84120760,MCULE-8526693566	208.257	ZYMSJTNJVQPRTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016139
n1cc(C(=O)OCC)c2CC(C)(C)Cn12	PC-id_21057708,MCULE-1264960908,SCHEMBL3552373	208.257	KPERHFIXVOUTQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016140
NCC1(CC(=O)O)C(C)Cc2c1c[nH]c2	PC-id_112716210	208.257	QCDRAGDYFCAWCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016141
NCC(c1cn(c2c1CCC2)C)C(=O)O	PC-id_112487468	208.257	UVQONRDXMHTHJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016142
o1c2c(CCC2)c(c1C(C)C)C(=O)NN	PC-id_83610343	208.257	CJQKDWTXLCXMBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016143
o1c2c(CCC2)c(c1CCC)C(=O)NN	PC-id_83610415	208.257	DMPZDATTWCYTEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016144
O1CCC(Cc2onc3c2CNC3)CC1	PC-id_83848596	208.257	LKVUCALQPKXHDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016145
o1c(nc2c1CCC2)C(O)C1CCNC1	PC-id_84734244	208.257	JNQLUBQNQRNKPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016146
o1c(nc2c1CCC2)C(O)C1NCCC1	PC-id_84734243	208.257	ZAGJQHPHSPURJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016147
o1nc2c(CCC2)c1NC(=O)C(C)(C)C	SCHEMBL5929558,PC-id_58664483	208.257	JSUDAAIVTOJBPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016148
O=C1NC(c2c1nc(o2)C(C)(C)C)(C)C	SCHEMBL19573547	208.257	QNNLWUMUPDXBFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016149
O=C1NC(c2c1oc(n2)C(C)(C)C)(C)C	SCHEMBL19573544	208.257	WQCSVHMSNWFYGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016150
O(C(C)(C)C)C(=O)N1Cc2[nH]ccc2C1	PC-id_84676200	208.257	OTFLMKLYISCTIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016151
O(C(=O)c1c2c([nH]c1C(C)C)CNC2)C	PC-id_82395333	208.257	DOSNXAXLDYQOKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016152
OC(=O)c1c2c([nH]c1C(C)C)CN(C2)C	PC-id_84780216	208.257	RJOUDVCIXSGVRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016153
OC(=O)C1c2c([nH]nc2C(C)(C)C)CC1	PC-id_83861618	208.257	SLRKASRDOTUHPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016154
OC(=O)C1c2c(n(nc2C)C(C)C)CC1	PC-id_83861440	208.257	HUSCKMNBJZFPRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016155
OC(=O)C1c2c(n(nc2C(C)C)C)CC1	PC-id_83861599	208.257	KFBZLWNKQFYFJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016156
OC(=O)C1c2c(nn(c2C(C)C)C)CC1	PC-id_83909230	208.257	MHMYZLDSTBHYCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016157
OC(=O)C1Cc2c(C1)[nH]nc2C(C)(C)C	PC-id_112487475	208.257	XMBBMFGMQPPECA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016158
OC(=O)C1CCc2n(c(nc12)CCC)C	PC-id_84010975	208.257	NCTGTVMZTOXIHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016159
OC(=O)C1Cn2c(C1)nc(c2C)C(C)C	PC-id_112487462	208.257	KNWXUJPBNWVISB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016160
OC(=O)C1Cn2c(nc(C(C)(C)C)c2)C1	PC-id_82395349	208.257	FRBUQMRITDWEAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016161
OC(=O)c1c([nH]c2c1CNC2)C(C)(C)C	PC-id_82395336	208.257	BGRJXSJFGPZGTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016162
OC(=O)C1(N)c2c(CC1)cn(c2)C(C)C	PC-id_83909221	208.257	KKXNXNCEKVUHHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016163
OC(=O)c1n(c2CCCc2n1)CC(C)C	PC-id_82395361	208.257	KEDUSYMIUQNCJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016164
OC(=O)c1nc2n(c1C(C)(C)C)CCC2	PC-id_117272572	208.257	REHWMSNLKSVJJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016165
OC(=O)c1nc(n2CCCc12)CC(C)C	PC-id_84120684	208.257	XGPKVWNFGCLWEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016166
OC(=O)c1nn2c(c1C(C)(C)C)CCC2	PC-id_84120785	208.257	BSOZXTWAQMGDTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016167
OC(=O)c1nn2c(CCC2)c1CC(C)C	PC-id_84120784	208.257	MFLYJFOVJKTRAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016168
OC(=O)c1nn(c2c1CCC2)C(C)(C)C	PC-id_105461793	208.257	JVGKGDFOFYNHOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016169
OC(=O)c1n(nc2c1CCC2)CCCC	PC-id_15751956	208.257	LSLGOWPNDNNBPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016170
OC(=O)c1nn(c2CCCc12)CCCC	PC-id_82283708	208.257	JXELDAUPFVXROK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016171
OC(=O)C(c1c2c([nH]c1C)CCC2)CN	PC-id_84780229	208.257	IOORKRLBYTZJOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016172
OC(=O)Cc1c2c([nH]c1C(C)C)CNC2	PC-id_84780215	208.257	KTRCPJYDQSUGLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016173
OC(=O)CC1c2c([nH]nc2C(C)C)CC1	PC-id_83861652	208.257	QQPACFJAVPBBKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016174
OC(=O)CC1c2n(C(C)C)cnc2CC1	PC-id_83883899	208.257	KEPFRJBYJXDLMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016175
OC(=O)CC1c2n(ncc2CC1)C(C)C	PC-id_83883898	208.257	WDWUWMFUTISNDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016176
OC(=O)CC1Cc2n(C1)cnc2C(C)C	PC-id_82395343	208.257	LLWDVIAAPFBJOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016177
OC(=O)CC1(CCc2c1cn(c2)C)CN	PC-id_83909216	208.257	VNAILZGAQGBLNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016178
OC(=O)CC1CCc2c1nn(c2)C(C)C	PC-id_83883897	208.257	ASWICVGVARUGLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016179
OC(=O)CC1CCc2n(C(C)C)cnc12	PC-id_83883902	208.257	WCONRFISJJLKQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016180
OC(=O)CC1CCc2n(ncc12)C(C)C	PC-id_83861437	208.257	RVTVEAPDQJIXTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016181
OC(=O)CC1CCc2n(nc(c12)CC)C	PC-id_83861562	208.257	FNACLRDMYVKBOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016182
OC(=O)C(C1CCc2n(nc(c12)C)C)C	PC-id_83909224	208.257	ZKPKIBZALSASEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016183
OC(=O)C(C1CCc2nn(c(c12)C)C)C	PC-id_83909225	208.257	RSASEXMPIXUOKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016184
OC(=O)CC1C(C)Cc2c1c(C)nn2C	PC-id_112716227	208.257	IXFKIKUPYVMBHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016185
OC(=O)CC1C(C)Cc2c1c(C)n(n2)C	PC-id_112716228	208.257	YCKZZZMTQHJFMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016186
OC(=O)C(C1C(C)Cc2c1cn(n2)C)C	PC-id_112716233	208.257	BEKWHSMCGNAFCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016187
OC(=O)C(C1C(C)Cc2c1cnn2C)C	PC-id_112716234	208.257	UYTJLRZSWUKMPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016188
OC(=O)CC1n2c(CC1)c(nc2)C(C)C	PC-id_82395342	208.257	FMBUXLGSDFKZDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016189
OC(=O)Cc1n(c2CCCc2n1)C(C)C	PC-id_83848616	208.257	HKYKALNSJUUCNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016190
OC(=O)Cc1nn2c(CCC2)c1CCC	PC-id_84120787	208.257	PPLUCOQBIGRGDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016191
OC(=O)Cc1nn2c(CCC2)c1C(C)C	PC-id_84120788	208.257	SCXUCVRCBKGMJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016192
OC(=O)C(Cc1cc2n(c1C)CCC2)N	PC-id_112487469	208.257	JEFWMEBDYWFKOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016193
OC(=O)C(Cc1cc(c2n1CCC2)C)N	PC-id_112487463	208.257	OPKHLNZPXPHSTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016194
OC(=O)C(Cc1c(C)cc2n1CCC2)N	PC-id_112487465	208.257	MMPIRQSBCCTWEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016195
OC(=O)C(Cc1c(C)nc2n1CCC2)C	PC-id_112546017,EMOLS-id_313741211	208.257	TZFNHPUVCOOPNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016196
OC(=O)CC(c1c(C)nc2n1CCC2)C	PC-id_112546018,EMOLS-id_313740955	208.257	DQDGQVZJBDNNTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016197
OC(=O)C(Cc1cn(c2c1CCC2)C)N	PC-id_112487470	208.257	RISBYGTXAXAYRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016198
OC(=O)CC(c1nn(c2c1CCC2)C)C	PC-id_84676133	208.257	GJEKCMCKUFLONR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016199
OC(=O)C(Cc1nn(c2c1CCC2)C)C	PC-id_84676134	208.257	INVUYXGCDMEBEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016200
OC(=O)CC(c1n(nc2c1CCC2)C)C	PC-id_84676135	208.257	WJBYZLYVANWUFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016201
OC(=O)C(Cc1n(nc2c1CCC2)C)C	PC-id_84676136	208.257	HHXXUJJKXZFJKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016202
OC(=O)CC(N)c1c2c([nH]c1C)CCC2	PC-id_84780231	208.257	OQESDESOVNXXNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016203
OC(=O)C(N)Cc1c2c([nH]c1C)CCC2	PC-id_84780233	208.257	CFMGJCAZOMUAIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016204
c12OCCn1cc(CN1CCNCC1)n2	MCULE-1394452155	208.26	FKQMNGRMJBGLQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016205
c1(C(=O)NC)c2CNCc2nn1CCC	MCULE-3677774814,EMOLS-id_324351852	208.26	JWMXVDJYOGQGHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016206
c1(C(=O)NCC)c2CNCc2nn1CC	MCULE-8047153613,EMOLS-id_324354912	208.26	JYXGXQJQSXOLKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016207
CC1(CCN)C(=O)Nc2c1n(C)c(n2)C	PC-id_112487445	208.26	UYSSYBOMHGWICX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016208
CC(C)Cn1nc2CNCc2c1C=NO	MCULE-5083109373,EMOLS-id_324356715	208.26	WZEWAEMANIKFDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016209
CCCCNC(=O)N1Cc2c(C1)cn[nH]2	MCULE-1864086433,EMOLS-id_316438963	208.26	OWBPNSSUYHIOEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016210
CCCCNC(=O)N1CCn2c1ncc2	EMOLS-id_317949736	208.26	YVBJTGJVQRLYRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016211
CC(C)C(=O)NCc1nnc2n1CCC2	ZINC22_40817174,EMOLS-id_35688526,MCULE-4640707631,PC-id_52024814	208.26	YOIWQDZFFWAOMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016212
CC(C)NC(=O)CN1CCn2ccnc12	ZINC22_931527315,PC-id_146139315	208.26	IMNJLOXBKYPJHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016213
CCC(=O)NC(c1nnc2n1CCC2)C	PC-id_60763872,EMOLS-id_37573433	208.26	FWVGXZVCVIXQIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016214
CC(n1nc2c(n1)CN(C2=O)C(C)C)C	SCHEMBL12386589,PC-id_58386158	208.26	SJWOWHPCIDLKQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016215
CC(NC(=O)C1NCc2c1c[nH]n2)CC	EMOLS-id_319426412	208.26	VZMWOWTXJYEZFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016216
CCN(C(=O)N1Cc2c(C1)cn[nH]2)CC	MCULE-7432825496,EMOLS-id_316439219	208.26	HHZPLZZOLITZEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016217
CCNC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319329103	208.26	GPKAPVNUIVARAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016218
CC(=O)N(c1c(C)nc2n1CCN2C)C	PC-id_59820647,SCHEMBL14024327	208.26	AZTFDDDUTLRXHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016219
CN1Cc2c(C1)cn(n2)CC(=O)N(C)C	SCHEMBL17624286,PC-id_118974276	208.26	FIAMZORIBNBRSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016220
CN1Cc2c(C1)c(n(n2)C)N(C(=O)C)C	PC-id_59820672,SCHEMBL14024320	208.26	PIJQHDLSRNUHJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016221
CN1Cc2c(C1)n(nc2)CC(=O)N(C)C	PC-id_118973994,SCHEMBL17623992	208.26	RZBWATPUWOLEIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016222
CN1Cn2c(C1)nc(c2N(C(=O)C)C)C	SCHEMBL14024324,PC-id_59820611	208.26	ITRANIXMOQWPKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016223
CNCCNC(=O)c1n[nH]c2c1CCC2	PC-id_119500140	208.26	DYHKCGKHYRDYOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016224
CNCC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_302171528,MCULE-7262114531,PC-id_119822842	208.26	TWWBILSPSJTJFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016225
CN(C(=O)C1NCc2c1c[nH]n2)CCC	EMOLS-id_319802521	208.26	JKNKUNZRUUANMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016226
CNC(=O)N1Cc2c(C1)[nH]nc2C(C)C	SCHEMBL19297277	208.26	OKUXHAWPZAPSGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016227
NCCCNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_301508720,PC-id_119405031,MCULE-2786887990	208.26	TVKMONLQBPJADD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016228
NCCC(=O)Nc1n(C)nc2c1CCC2	PC-id_119345955,EMOLS-id_301476865,MCULE-6676197185	208.26	JGWTZFYGEUIRCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016229
NC[C@H](NC(=O)c1n[nH]c2c1CCC2)C	MCULE-1340920993,EMOLS-id_302590870,PC-id_120383680	208.26	RNEQLGHPJFWTKH-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016230
NC[C@@H](NC(=O)c1n[nH]c2c1CCC2)C	PC-id_120508316	208.26	RNEQLGHPJFWTKH-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-016231
NCC(=O)N1Cc2c(C1)[nH]nc2C(C)C	PC-id_118489297,SCHEMBL17229774	208.26	JPRGMUYPOGINFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016232
NC(=O)c1[nH]nc2c1CN(C2)C(C)(C)C	SCHEMBL13562723,PC-id_70937961	208.26	WZAXKLUFVUXJIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016233
O1c2n(nc(CN3CCNCC3)c2)CC1	PC-id_82611662	208.26	LWPYEVILNLUDQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016234
O1C(Cc2n3CCCc3nn2)CNCC1	PC-id_66435771	208.26	CFHSQCVKDMQEBB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016235
O1CC(NCC1)Cc1n2CCCc2nn1	PC-id_80418793	208.26	FQNCRFZAMLDTTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016236
O1CC(NC(c2n3CCCc3nn2)C)C1	PC-id_80493606	208.26	OMBWLRPDBLDYDF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-016237
o1c(nc2c1CNC2)CN1CCNCC1	PC-id_83949325	208.26	HDJPERFJHAHEMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016238
O=c1n(CC2CCCN2)[nH]c2c1CNC2	PC-id_105461938	208.26	SEEKBFASSOQNTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016239
O=c1n(CC2CCNC2)[nH]c2c1CNC2	PC-id_105461937	208.26	KNHYEWGPWIGENX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016240
O=C([C@@H](N)C)Nc1n(C)nc2c1CCC2	MCULE-6558697285,PC-id_119345953,EMOLS-id_301476353	208.26	UNXFVVDWMRAUDP-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-016241
O=C(C(N)C)Nc1n(C)nc2c1CCC2	PC-id_119345959,EMOLS-id_301476609,MCULE-8677837386	208.26	UNXFVVDWMRAUDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016242
O=C(N1Cc2c(nn(c2N)C)C1)C(C)C	PC-id_84676225	208.26	MGRSQPHNYIYTEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016243
O=C(N(Cc1n2CCCc2nn1)C)CC	PC-id_60707545	208.26	QLFLSFMTILVESI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016244
O=C(N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318990601	208.26	HWTMRFOGWFUSLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016245
S1(=O)Cc2c(C1)c(sc2C#N)C#N	PC-id_10921708	208.26	MUKOVBQAZBNRKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016246
CCC1Cc2c(C1)[nH]nc2/C(=N/N)/NN	PC-id_143228789	208.264	DVSOIXLZYQUOOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016247
n1c(CN2CCNCC2)nn2CCNc12	MCULE-1103177955	208.264	UNEMBFJZSBGALQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016248
Cc1sc(c2c1C(=O)C(C2=O)(C)C)C	PC-id_117733423,SCHEMBL16284916	208.277	REGSJSDBWKKJQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016249
C=CCc1cc2c(s1)C(CC2)C(=O)O	SCHEMBL10754496,PC-id_70434734	208.277	KJZYEFDYPMCECG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016250
CCC/C=C/1[C@@H](c2c(C1=O)scc2)O	PC-id_135043839	208.277	QVOAEVWSOAXVMO-IYNCYZAOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016251
CC(=C)C(=O)OC1CCc2c1scc2	SCHEMBL15083644,PC-id_89668793	208.277	AMVTYWJCWWINLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016252
CC(=O)c1sc(c2c1CCC2)C(=O)C	SCHEMBL16683348,PC-id_118048834	208.277	FYRFZBXQVABOSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016253
CCOC(=O)/C=C/1CCc2c1scc2	PC-id_134358263,SCHEMBL19985044	208.277	KEVJGTYRMQYUIA-VQHVLOKHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016254
O=c1sc2c(s1)CS(=O)(=O)C2	MCULE-1863965562,PC-id_43827529,EMOLS-id_50045206,ZINC22_40166237	208.278	LJWOUSJUIGIGTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016255
C1CN=C(O1)NC1CCc2c1scc2	PC-id_44517811,SCHEMBL4057043	208.28	COGHUDZALDNDKA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016256
c1(NC(=O)C=CC)sc2c(CCC2)n1	PC-id_112724013,EMOLS-id_114684277,MCULE-3335262705	208.28	UQEGCXLTDAHNPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016257
c1(sc2c(CCC2)n1)NC(=O)C(=C)C	EMOLS-id_334662104,MCULE-2530576547	208.28	WDEKFNMXWRMCNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016258
C/C=C/C(=O)Nc1nc2CCCc2s1	EMOLS-id_334659793	208.28	UQEGCXLTDAHNPH-DUXPYHPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016259
C=CC(=O)NCc1nc2c(s1)CCC2	MCULE-6007725380,PC-id_139022259,ZINC22_719553668	208.28	FHNIGRHCOOPFJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016260
O=C(C1CC1)Nc1sc2c(CCC2)n1	PC-id_16370900,ZINC22_9378052,MCULE-7516488610,CoCoCo_4164273,EMOLS-id_24051835	208.28	JNDRONVCUSAOPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016261
S=C(N1Cc2c(C1)c[nH]n2)NC1CC1	EMOLS-id_107819235,MCULE-9886111548	208.283	XENICHBVQBFLQH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016262
o1c2c(c(C(O)(C)C)c1C(C)C)CCC2	PC-id_84676291	208.297	VZEFAYJGDATLPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016263
c12CCC(C)c1c(nn2C(CC)CC)O	EMOLS-id_330958588,MCULE-8844226608	208.3	LYPPDVQZQLGATF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016264
c12CCC(C)c1c(nn2C(C)CC)CO	MCULE-7868701231,EMOLS-id_331013620	208.3	IBLXDNCRIHAJDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016265
c12C(C)CCc1n(nc2O)CCC(C)C	EMOLS-id_330960122,MCULE-9780910932	208.3	LJMWKZNFYIWAQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016266
c12C(C)CCc1nn(CCC(C)C)c2O	MCULE-1695208293,EMOLS-id_331007661	208.3	KPSXEQAKUFMXRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016267
c12CC(C)C(CCN)c1c(C(C)C)no2	PC-id_112716261,MCULE-6348498403	208.3	OBKOLUJAGZTILF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016268
c1(CO)c2C(C)CCc2nn1C(C)CC	MCULE-6151903669,EMOLS-id_330993594	208.3	YKOAAAZJJYUKJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016269
c1(O)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_331009966,MCULE-2568740588	208.3	XPYCARKOOMYNLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016270
CC1CCc2c1c(CO)nn2C(C)(C)C	MCULE-9257786969,EMOLS-id_331011060	208.3	BFODSQUAHCAMML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016271
CC1CCc2c1c(O)nn2CC(C)(C)C	EMOLS-id_330958076,MCULE-3772818063	208.3	FYWYHCYHCWZXRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016272
CC1CCc2c1onc2CNC(C)(C)C	PC-id_80462611,EMOLS-id_313677850	208.3	SEXHZXMQDZHFDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016273
CC1CCc2nn(CC(C)(C)C)c(O)c12	MCULE-2978434597,EMOLS-id_331009710	208.3	PINCFKYUWWJJMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016274
CC1CCc2nn(c(CO)c12)C(C)(C)C	MCULE-5624163678,EMOLS-id_330995124	208.3	VMOOBWZSAPCJOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016275
CCC1CCc2c1onc2CNC(C)C	PC-id_116177548	208.3	NSPWGBPXFVCWOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016276
CCc1nn(c2CC(O)Cc12)C(C)(C)C	EMOLS-id_337959195	208.3	FYKDNZMLNUKSJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016277
CCCc1nn(C(C)C)c2CC(O)Cc12	EMOLS-id_337958171	208.3	TZVZMPKBUMRPFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016278
CC(C)C(C)n1nc2CCC(C)c2c1O	MCULE-8343197758,EMOLS-id_331006629	208.3	VHDQPYIGSSBNEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016279
CC(C)C(C)n1nc(O)c2C(C)CCc12	MCULE-4814169711,EMOLS-id_330958332	208.3	BRUODANKFIQUCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016280
CC(C)Cn1nc2CCC(C)c2c1CO	MCULE-2590386222,EMOLS-id_330995890	208.3	JQUZWKQHNUASQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016281
CC(C)Cn1nc(CO)c2C(C)CCc12	MCULE-9028694939,EMOLS-id_331011826	208.3	SZVFWGZBRVUCLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016282
CCCNCc1noc2c1CCC2CC	PC-id_116177546	208.3	PNEUDTOJBQFGES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016283
CC(CNCc1noc2c1CCC2C)C	PC-id_80462441,EMOLS-id_313748373	208.3	BUKIOVDSFSECFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016284
CCCNCc1noc2c1CCC2(C)C	PC-id_80462922,EMOLS-id_313563233	208.3	CBYHQULCZVHCNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016285
CC(NCc1noc2c1CCC2(C)C)C	PC-id_80462238,EMOLS-id_313678105	208.3	ZKMJQNNDYFXWLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016286
CCNCc1noc2c1C(C)(C)CC2C	PC-id_106664543	208.3	PNGXZFFFOXGMRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016287
CCOc1nn2c(c1C(C)(C)C)CCC2	SCHEMBL19040337	208.3	VOYPNAQMXIALDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016288
CNCC1C(C)Cc2c1c(no2)C(C)C	PC-id_112716264	208.3	XVHMHRDNAJDDRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016289
NCC1(O)C(C)Cc2c1cn(c2)C(C)C	PC-id_112716247	208.3	DDAKMSGPMXHULD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016290
NCC(C1CCc2c1c(no2)C(C)C)C	PC-id_112716259	208.3	WEFOKVJUDOYKRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016291
o1c2c(c(c1C(C)C)CCN)CN(C2)C	PC-id_84780302	208.3	HBTCGYCKKUEQCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016292
O1Cc2c(c([nH]c2C1)C(C)(C)C)CCN	PC-id_84780294	208.3	IBMJABUMJPGEDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016293
o1c(C(C)(C)C)c(c2c1CNC2)CCN	PC-id_84780300	208.3	YLYKFHZYBDOQCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016294
o1c(C(C)(C)C)c(c2c1CN(C2)C)CN	PC-id_84780301	208.3	FQLAQRZVRXAMBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016295
o1nc(c2C(CCc12)CCN)C(C)(C)C	PC-id_83861459	208.3	PHYOKUGQBYODGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016296
o1nc(c2C(CCc12)CNC)C(C)(C)C	PC-id_83861461	208.3	VDURBNHVRSCXDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016297
OC1(CCc2c1cn(c2)C(C)C)CCN	PC-id_83909246	208.3	DILKCDVPOYMHRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016298
OCC1(N)C(C)Cc2c1cn(c2)C(C)C	PC-id_112716251	208.3	MZJTUGIVPHKUAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016299
c12C(C)CCc1n(nc2N)CCN(C)C	EMOLS-id_330969073,MCULE-9420823919	208.303	JATPUSLVISQYSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016300
c12C(C)CCc1nn(CCN(C)C)c2N	MCULE-6025857974,EMOLS-id_331015076	208.303	NMJOOCWZTHJJDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016301
c12CN(Cc1c(nn2C(C)C)CCN)C	PC-id_112711026,MCULE-5391239831	208.303	PUMBOGXHJKFUMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016302
CC1CCc2c1c(CN)nn2CCCN	MCULE-9720821232,EMOLS-id_331014395	208.303	BOVAHJNHBMUGKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016303
CC1CCc2nn(CCCN)c(CN)c12	EMOLS-id_331001274,MCULE-9605101994	208.303	LSEKHWHSVZDOIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016304
CC(C(c1nnc2n1CCC2)(C)C)(N)C	EMOLS-id_41132925,PC-id_65261714	208.303	XFGDXCWPHLTTGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016305
CCC(c1nnc2n1CCC2)(CN)CC	PC-id_115430479,EMOLS-id_313664641	208.303	VOTHMYPHWHNORV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016306
CCCCNC(c1nnc2n1CCC2)C	PC-id_43748190,EMOLS-id_37811170	208.303	ZPUYCUFIFDHUHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016307
CC(CNC(c1nnc2n1CCC2)C)C	EMOLS-id_37811138,PC-id_43748084	208.303	WINCZKDIWHBOEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016308
CCN1Cc2c(C1)c(n(n2)C(C)(C)C)N	PC-id_105462289	208.303	YEVQRWJSBMEJME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016309
CC(N1Cc2c(C1)c(n(n2)C(C)C)N)C	PC-id_105462290	208.303	FKKPURNUAWICIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016310
CC(N1Cc2c(C1)c(nn2C(C)C)N)C	PC-id_105462293	208.303	ZBZQDZMXAHEPMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016311
CCN1Cc2c(C1)n(nc2N)C(C)(C)C	PC-id_105462292	208.303	VMVITCBEJFMBMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016312
CCn1nc2c(c1N)CN(C2)C(C)(C)C	PC-id_105462288	208.303	KCTDKQYSYZUQFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016313
CCn1nc(c2c1CN(C2)C(C)(C)C)N	PC-id_105462291	208.303	FLVLYEDONVZGBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016314
CC(NCCc1nnc2n1CCC2)(C)C	EMOLS-id_37876896,SCHEMBL18997320,PC-id_60836044	208.303	KEIHKDDUGPTLGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016315
CC(NCCCc1nnc2n1CCC2)C	EMOLS-id_37876894,PC-id_60836043	208.303	SHJPSCYBMZRZJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016316
CCNCCNCc1n[nH]c2c1CCC2	EMOLS-id_314776997,PC-id_104377331	208.303	MUEHPTFTGKSDFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016317
CNCc1c2CN(Cc2nn1C(C)C)C	PC-id_112711078	208.303	WGZWSLYNAZYIBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016318
CNC(c1c(C)nn2c1N(C)CC2)(C)C	PC-id_96772629	208.303	BDUDYVIPCFHTHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016319
CNCc1nn(c2c1CN(C2)C)C(C)C	PC-id_112711033	208.303	ZDAJPAWPDIKGIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016320
CN(Cc1nn(c2c1CNC2)C(C)C)C	PC-id_97519264	208.303	GITGIYIYMZMWAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016321
CNCCCNCc1n[nH]c2c1CCC2	EMOLS-id_315882375,PC-id_104422069	208.303	ZLPJJYLDSUXNII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016322
CNCCN(Cc1n[nH]c2c1CCC2)C	EMOLS-id_314297284,PC-id_104412819	208.303	XHXYFQJIBAMWQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016323
CN(CCNCc1n[nH]c2c1CCC2)C	EMOLS-id_314985677,PC-id_104384701	208.303	JUYBMTHHRCLCLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016324
CNCC(NCc1n[nH]c2c1CCC2)C	PC-id_104394826,EMOLS-id_261740502	208.303	AFFVZURMMIZULT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016325
n12CCCc1nnc2CCCCCCN	EMOLS-id_37528485,PC-id_43142812	208.303	UQGZMFKQVFTRFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016326
n12CCCc1nnc2CCC(CCN)C	EMOLS-id_40451483,PC-id_64366566	208.303	MALVQQKWGPWNCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016327
n12CCCc1nnc2C(NC(CC)C)C	PC-id_43748126	208.303	WVSIAKIMMLDDGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016328
n12c(nnc1CCC2)C(CC(C)C)CN	PC-id_80110571,EMOLS-id_313668868	208.303	VMQVEDHQCHOOAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016329
n12c(nnc1CCC2)CC(N)C(C)(C)C	PC-id_81987570,EMOLS-id_313563603	208.303	WUUUJKARBVSHPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016330
N1(C(c2n(nc(N)c2C1)C)CC)C(C)C	PC-id_83848668	208.303	RNXVYLFMEJHOMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016331
N1(C(c2nn(c(N)c2C1)C)CC)C(C)C	PC-id_83848670	208.303	YQGAGWWEVVGIAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016332
N1C(C(C)(C)C)c2c([nH]nc2N)C1(C)C	PC-id_69042229,SCHEMBL4433556	208.303	LAXXVVPZAQNRTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016333
NCc1c2CN(Cc2nn1C(C)(C)C)C	PC-id_105462393	208.303	FWRYNYYCXLQGFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016334
NCc1n(CC(C)C)nc2c1CN(C2)C	PC-id_105462394	208.303	CGJBOMRJPQMBMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016335
NCc1nn(c2c1CN(C2)C)C(C)(C)C	PC-id_105462379	208.303	WNIOWMCRJXKFML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016336
NCc1nn(c2c1CN(C2)C)CC(C)C	PC-id_105462380	208.303	ALBSQGDWZOVQAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016337
NCCc1c2CN(Cc2nn1C(C)C)C	PC-id_112711071	208.303	FHCHZZPZOGLICG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016338
N=C/C=C
/Cc2c([NH2+]1)nc(s2)C(C)C	PC-id_145188299	208.303	HNWCORZDOVVEAL-MXIGLEIDSA-O	00000010100000000001000010000000000000000000000000000000	25-01-016339
NCCC(NCc1n[nH]c2c1CCC2)C	PC-id_116305808	208.303	INXWSQVEMJYRGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016340
NCC(N1Cc2c(C1)n(nc2)C(C)C)C	PC-id_112487409	208.303	VSNHYGLMFAJONT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016341
NCCN(Cc1n[nH]c2c1CCC2)CC	PC-id_103102264	208.303	FGZSGQZWXIGKFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016342
CCCC1(C)Cc2c(C1=O)cc(s2)C	PC-id_70658388,SCHEMBL12086633	208.32	WXGXZGDTBAUITH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016343
CC(=CC(c1sc2c(c1)CCC2)O)C	PC-id_115817002,EMOLS-id_266322612	208.32	XHUKQGLNYLLRQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016344
CC(=C)CC(c1sc2c(c1)CCC2)O	EMOLS-id_266322614,PC-id_115816759	208.32	BNMJFFVGJHAFON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016345
C=CCCC(c1sc2c(c1)CCC2)O	PC-id_115804531	208.32	KIIAPVBGXIKMLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016346
CCCCC(=O)c1sc2c(c1)CCC2	PC-id_114966616	208.32	HGZIYWVBIBHZRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016347
CC(CC(=O)c1sc2c(c1)CCC2)C	PC-id_114962404,EMOLS-id_313598291	208.32	USKCIZFZCABAQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016348
CCC(C(=O)c1sc2c(c1)CCC2)C	PC-id_115788043,EMOLS-id_313654642	208.32	DWHLMYITDPAAER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016349
OC1(CCc2cc3CCCc3s2)CC1	EMOLS-id_313873224,MCULE-9674486169	208.32	ZHFMPFVBKHBMLC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-016350
OCC1(Cc2cc3CCCc3s2)CC1	EMOLS-id_313873736,MCULE-3854472129	208.32	VTPNCFQKTCSBTH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-016351
OC(c1sc2c(c1)CCC2)C1CCC1	EMOLS-id_266320991,PC-id_115837874	208.32	KWVOAYXTWVDERS-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-016352
OC(c1sc2c(c1)CCC2)CC1CC1	PC-id_115803907,EMOLS-id_266320981	208.32	OUMFSPUZGCPQKP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-016353
O=C(C(C)(C)C)c1sc2c(c1)CCC2	PC-id_114971466,EMOLS-id_313781760	208.32	NWIDNXGTSGRCKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016354
C1CC(C1)NCc1sc2c(n1)CCC2	EMOLS-id_266322712	208.323	GXYJRYGMMGXZJZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-016355
C1CNC(C1)Cc1sc2c(n1)CCC2	PC-id_24262090,EMOLS-id_39148569	208.323	HZWPKHFIDUWZHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016356
CC1CC1NCc1sc2c(n1)CCC2	PC-id_115887416	208.323	XOZMUFKANDDPNE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016357
C(C1CCCC1)n1cc2CSCc2n1	EMOLS-id_324396375,MCULE-2964999390	208.323	RGXUVVHZXAFDTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016358
CC1=C(C)C(c2c1n(C)c(=S)n2C)C	PC-id_102399023	208.323	JOLVKQRIIBUDFH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016359
CC1(C)CCc2c1nc(s2)NC1CC1	EMOLS-id_42566851,PC-id_79864197	208.323	NSNSAUKOPQXVQK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016360
Cc1nc2c(s1)CCC2CNC1CC1	EMOLS-id_266321485	208.323	RTTFEKBLDKULEU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016361
CC1(NCc2sc3c(n2)CCC3)CC1	EMOLS-id_266322344	208.323	POLNEPXRZHEMAJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016362
CCC1CCc2c1nc(s2)NC1CC1	EMOLS-id_107403593,PC-id_116175993	208.323	WFAKKRBVURKWEN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016363
CC(c1sc2c(n1)CCC2)(C1CC1)N	PC-id_61330302,EMOLS-id_38235584	208.323	BCQJQAOGLBNGRY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016364
CC(c1sc2c(n1)CCC2)NC1CC1	PC-id_61333127,EMOLS-id_38238542	208.323	CNZTVHBKLSSLMJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016365
C(Cc1sc2c(n1)CCC2)NC1CC1	PC-id_82278141,EMOLS-id_313739157	208.323	IFXDUKODCCSUIX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016366
C=CCC(c1sc2c(c1)CCC2)NN	PC-id_105289582	208.323	BDBRRFUOBKDFGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016367
CC(C)N1CCc2c1[n+](cn2C(C)C)C	PC-id_89458347,SCHEMBL14803545	208.323	JSFZYPBXMZRHIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016368
C=CCNc1nc2c(s1)CCC2CC	EMOLS-id_313722179	208.323	HEAGRRCHXKTKFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016369
C=CCNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_114685522	208.323	OVVFULKRAQVHIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016370
C=CC(NCc1sc2c(n1)CCC2)C	PC-id_115887871	208.323	OQHCPRHZBIYVNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016371
CC(Nc1c[n+](c2n1CCC2)C(C)C)C	SCHEMBL16917023,PC-id_118240858	208.323	DQIKWDRFMYDCCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016372
CNC(c1sc2c(n1)CCC2)C1CC1	EMOLS-id_38236614,PC-id_61330972	208.323	GOWQHPDSKKGIBP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016373
N1CC(C1)NCc1sc2c(c1)CCC2	PC-id_65958908,EMOLS-id_41589188	208.323	LPIYJQVWRDOWEC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-016374
NC1(CC1)CCc1cn2c(c1)SCC2	PC-id_105462444	208.323	MBKVNEYBXCTWDX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016375
NCC1CCc2c1nc(s2)CC1CC1	EMOLS-id_266321083	208.323	QNVKPFBHOCGHIY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016376
NC(c1sc2c(n1)CCC2)C1CCC1	EMOLS-id_107401021,PC-id_80487959	208.323	KNIBCIALHFMEGV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-016377
NC(c1sc2c(n1)CCC2)CC1CC1	EMOLS-id_266321287	208.323	VCFYZYVDHRMFHH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016378
N(Cc1sc2c(n1)CCC2)CC1CC1	EMOLS-id_40503299,PC-id_64437292	208.323	KPWIAUPJTGYUPI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016379
NNC(c1sc2c(c1)CCC2)C1CC1	PC-id_105314531,EMOLS-id_50844790	208.323	QHHVOLLLRKIFDK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-016380
NNC(c1sc2c(c1)CCC2)C(=C)C	PC-id_105320060,EMOLS-id_50846308	208.323	ROUVCRFSLKFCAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016381
s1c(nc2c1CCC2)[C@H](N)CC1CC1	PC-id_82672654	208.323	VCFYZYVDHRMFHH-MRVPVSSYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016382
S1C(Sc2sc(=O)sc12)C	PC-id_10921720	208.345	IORLICQVRZSOCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016383
CC1(C)Cc2c(C1)cc(s2)C(C)(C)C	SCHEMBL12024876,PC-id_58540038	208.363	UZGJXEIIPPKOEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016384
CC(c1sc2c(c1C(C)C)CCC2)C	SCHEMBL13328146,PC-id_57797783	208.363	NRXXDBASMXLMDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016385
CC(c1sc(c2c1CCC2)C(C)C)C	PC-id_145767385	208.363	BBLLYYNJWZHKAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016386
ClS(=O)(=O)c1cnn2c1OCC2	PC-id_112707200	208.623	JABCMOZWMRFBIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016387
C1C2=C(NC1=O)SC(=C2)C=CC(=O)O	PC-id_154372214	209.015	FEMGTNCTWWLLNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016388
CC(=O)C1=C2CCCC2=C(S1)C(=O)[O-]	PC-id_154220866	209.028	IPLGEDFRBCLEJW-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-016389
N#CB1Cc2c(C1)cn(n2)S(=O)(=O)C	PC-id_144500078	209.033	GLLDJLCFARXARK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016390
CCN1C(=O)C2=C(SC(=C2C1=O)C)C	PC-id_163738278	209.051	LFNZLHSDXNEENH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016391
Bc1nc2c(s1)CCC2C(=O)OCC	SCHEMBL13196218	209.073	KHBWPOVMTDJNPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016392
c1(CCl)c2COCc2sc1Cl	MCULE-6955879459,EMOLS-id_331066400	209.093	MLKFXBIEOMUNSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016393
Clc1sc(Cl)c2CCC(O)c12	PC-id_315623	209.093	ATLDRJYKBAIBGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016394
O[C@H]1CCc2c1c(Cl)sc2Cl	CoCoCo_5551768,NSC241120	209.093	ATLDRJYKBAIBGB-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016395
O[C@@H]1CCc2c1c(Cl)sc2Cl	LI_173708,CoCoCo_5551769	209.093	ATLDRJYKBAIBGB-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016396
Clc1nc2SCCn2c1CCl	PC-id_10750899	209.096	NQDHPIQARCJXNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016397
B1(C2=C(C(O1)(C)C)N=C(S2)C(C)C)C	PC-id_160080209	209.105	OIMXAGUFXSSLMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016398
CC(C1=C2CCCC2=C(N1)C(=O)OC)O	PC-id_163827106	209.105	OAKVTQNRSMMPSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016399
CC1(CC(C2=CC(=NN21)CN=[N+]=[N-])F)C	PC-id_162349475	209.108	ADLZPMNQHOOOJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016400
CC(C)(C)OC(=O)N1CCN2C1=CN=C2	PC-id_147752940	209.116	HCOFPUASSFTRRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016401
CC(C)(C)OC(=O)N1CCN2C1=NC=C2	PC-id_153506262	209.116	UHMHWXBJOGBGNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016402
C[C@H]1C[C@H](n2c1nc(n2)C(=O)O)C(C)C	PC-id_163639529	209.116	IDAKEHPIUVRYIH-BQBZGAKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016403
CCOC(=O)N1C(=C2C(NCC2=N1)C)C	PC-id_154221407	209.116	BTOPDCXBBAGZNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016404
S1c2n(nc(n2)C(F)(F)F)C(=O)C1	PC-id_82357978	209.149	MJCHSOVRDOGXBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016405
CCCC1(C(CC2=CON=C21)N)CCN	PC-id_153549010	209.153	GINGMLAPCCRHHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016406
O=C1CCc2c1cc(n2C(=O)O)C(=O)O	PC-id_141214802	209.156	ONYBCJFWDJPQRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016407
O=C1n2c(C(=O)N1CC(=O)O)cnc2C	PC-id_83680799	209.159	FHZOWLMNDPDCQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016408
O=C1N(CCC(=O)O)C(=O)c2n1cnc2	PC-id_83680800	209.159	UCUAOYAKQSSZJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016409
O=C1N(C(=O)c2c1n(nc2)C)CC(=O)O	PC-id_84676560	209.159	NUGIPAIVXGLHFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016410
O=C1N(C(=O)c2ncn(c12)C)CC(=O)O	PC-id_83814510	209.159	PGNYBSYNLKSWFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016411
CCOC(=O)c1cc2c(n1P)CC=C2	PC-id_57659823,SCHEMBL12777586	209.182	CWYHDEQRMOCLRV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-016412
CCOC(=O)c1cc2c(n1P)C=CC2	SCHEMBL12777579,PC-id_57659839	209.182	DXNVRZCXVBWXOX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-016413
c1(C(=O)O)ccn2CCC(C(=O)OC)c12	EMOLS-id_42767594,MCULE-2960074376,PC-id_13590168,SCHEMBL11071985	209.199	CVBXYEQRFRJNQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016414
CC(=O)c1occ2c1CC(C2)(N)C(=O)O	PC-id_112487378	209.199	WKOPPPJBMRQBLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016415
CC(=O)OCc1ccn2c1[C@@H](O)CC2=O	PC-id_102161870	209.199	KMNPVKZFZCLYMI-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016416
COC(=O)c1cc2c(o1)N(CC2)C(=O)C	PC-id_101203911	209.199	UPIZKSHFYBSKJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016417
COC(=O)[C@H]1CCn2ccc(C(=O)O)c12	PC-id_29415916,ZINC22_21301029	209.199	CVBXYEQRFRJNQS-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016418
COC(=O)[C@@H]1CCn2ccc(C(=O)O)c12	ZINC22_21301024,PC-id_29415912	209.199	CVBXYEQRFRJNQS-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016419
o1c2CCCc2nc1C(=O)CCC(=O)O	PC-id_84734288	209.199	OPYDIRWXZBIYSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016420
o1c(c2CN(Cc2c1)C(=O)C)CC(=O)O	PC-id_82611915	209.199	QHUYVGNAOXGQOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016421
OC1c2n(C(=O)C1)ccc2COC(=O)C	PC-id_10536375	209.199	KMNPVKZFZCLYMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016422
O(c1cc2n(C(=O)CC2)c1)C(=O)OCC	PC-id_85547157	209.199	LODYZZGCEFXIOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016423
OC(=O)c1c2CCCn2c(c1C(=O)O)C	PC-id_110193173	209.199	RYWQGFWKOOZXHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016424
OC(=O)C1c2n(CC1)cc(c2C(=O)O)C	PC-id_12795083,SCHEMBL11001280	209.199	DYNWHKZYRBSBOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016425
OC(=O)C1C(c2n(C1)cc(c2)C)C(=O)O	PC-id_70450280,SCHEMBL10816856	209.199	XXGAFSCCNVIZOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016426
O(C(=O)C1Cc2n(C1)ccc2C(=O)O)C	PC-id_53234187	209.199	AEKQZMMSNWCJHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016427
OC(=O)C1CCn2c1c(cc2C)C(=O)O	PC-id_12795088	209.199	LDPSDDFCMYVDPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016428
OC(=O)C1CCn2c1c(cc2)C(=O)OC	PC-id_82660014	209.199	LEARDDNXKTZXMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016429
c12CN(Cc1nn(C)c2C=O)C(=O)OC	MCULE-3854817188,EMOLS-id_324349286	209.202	COIKGQMXNMHMAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016430
CC1(CC(=O)O)C(=O)Nc2c1n(C)cn2	PC-id_112487375	209.202	CRGKQOKLMPJKGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016431
CC(C(=O)N1Cc2c(C1)c[nH]n2)C(=O)O	EMOLS-id_313653869,MCULE-5383199750	209.202	ZPVMDDVYDYSIRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016432
CCOC(=O)c1cnn2c1N(C=O)CC2	SCHEMBL9020097,PC-id_18955287	209.202	XAXZBBTZBGFNNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016433
CC(=O)N1Cc2c(cnn2C)C1C(=O)O	EMOLS-id_331214570	209.202	ACYXSRMQUYKAQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016434
CC(=O)Nc1nc2CCCn2c1C(=O)O	EMOLS-id_331213548	209.202	ITTTWSSVHBDFAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016435
COC(=O)CC(=O)N1CCn2c1ncc2	EMOLS-id_279043942	209.202	DWLKWTVZHJTOLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016436
O=C1N(Cc2n1c(nc2)C)CCC(=O)O	PC-id_83680768	209.202	ROFFCPCTMBDRTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016437
O=C(c1n2CCCc2nn1)CC(=O)OC	PC-id_82660019	209.202	NTOHGFLCYBKBDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016438
O=C(C1(O)COC1)N1CCn2c1ccn2	EMOLS-id_319858853,MCULE-4891613582	209.202	YKTZDSSUEMLJTF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-016439
O=CN1CCn2c1c(CCC(=O)O)cn2	PC-id_141059814	209.202	GBGQINRNRFRLFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016440
OC(=O)[C@@H](N1Cc2c(C1=O)nn(c2)C)C	PC-id_121605773	209.202	YRVLTLCGEWZYCY-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016441
OC(=O)CON=C1CC(n2c1ncc2)C	EMOLS-id_266324973	209.202	XOBASNJHTAQFIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016442
OC(=O)CO/N=C
/CC(n2c1ncc2)C	EMOLS-id_313646748	209.202	XOBASNJHTAQFIA-XFFZJAGNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016443
c12ncnn1C(C(=O)N2)CC(=O)NCC	PC-id_136266817,EMOLS-id_46468119,SPECS-id_AN-153/NB26753,MCULE-1576364785	209.205	BKLZZGNJOIQWJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016444
C1Cc2c(C1)[nH]nc2C(=O)NNC(=O)N	PC-id_137741322	209.205	RUFPXMPCVDRLDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016445
CC(C1N=Nc2n1nc(c2N)C(=O)O)C	PC-id_69733282,SCHEMBL6288484	209.205	ZKUGMZDDTFGWMU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016446
CCNC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_136677562,ZINC22_95117660	209.205	BKLZZGNJOIQWJF-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016447
CCNC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_95117661,PC-id_136677563	209.205	BKLZZGNJOIQWJF-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016448
CC(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	PC-id_68441642,SCHEMBL2921568	209.205	KKNKKHPHIFJLMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016449
O/N=C(CN1Cc2c(C1=O)nn(c2)C)/N	PC-id_121605771	209.205	ZTNVTTICWUWIHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016450
CC1(CCn2c1nc(n2)C(=O)CC=C)F	SCHEMBL20282778,PC-id_135136310	209.22	VPUSWJXZVWUSDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016451
C=C[C@H]1C[C@@H](c2n1nc(n2)C(=O)CC)F	PC-id_142375370	209.22	LMIRAAKSMNFGIS-BQBZGAKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016452
C[C@H]1C[C@H](c2nc(nn12)C(=O)C1CC1)F	PC-id_137412602,SCHEMBL20646023	209.22	MSWZNXOWODSRBF-CAHLUQPWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016453
CC(=O)O/N=C/1Cc2c(C1=O)ccs2	SCHEMBL16548349,PC-id_117936329	209.222	WMWJHAAYARMBRH-JXMROGBWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016454
COC(=O)C1=Nc2ccsc2[C@H]1C=O	EMOLS-id_337444425	209.222	UKYBYWOVPXPIOG-YFKPBYRVSA-N	00000011100000000000000010000000000000000000000000000000	25-01-016455
c12CN(Cc1sc(C#N)c2N(=O)=O)C	MCULE-6064478861,EMOLS-id_330872136	209.225	YSYIYAYVJRXLKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016456
CN(c1nc2=CCC=c2p1N(C)C)C	PC-id_139107682	209.228	NAVBJIZROJBFQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016457
CN(c1nc2c(p1N(C)C)CC=C2)C	PC-id_139107679	209.228	MKISVEOCGHEQNA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016458
c12c(C=O)occ1C(CN2C)CCOC	PC-id_112487358,MCULE-1860899635	209.242	HYTDWMHVHOXFHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016459
CC1Cc2c(C1C(=O)O)c(no2)C(C)C	PC-id_112716306	209.242	VTLNVOBXTLKJKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016460
CC1Cc2c(C1(O)CC(=O)O)cn(c2)C	PC-id_112716283	209.242	MPOSMSNDNOXXJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016461
CCc1cc2c(o1)C(C(C2)C)(N)C(=O)O	PC-id_112716296	209.242	VNTBIDTXSCDBCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016462
CC(C)(C)OC(=O)c1coc2CNCc12	EMOLS-id_336507864,MCULE-8423868089	209.242	OYMMGGOJOMGFAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016463
CCOC(=O)Oc1cc2c(n1C)CCC2	SCHEMBL9436528,PC-id_67851866	209.242	NBWQCMMFJBAJBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016464
COC(=O)C1(N)C(C)Cc2c1cc(o2)C	PC-id_112716291	209.242	MYOOMYAYKZWSSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016465
COC(=O)C1(N)C(C)Cc2c1oc(c2)C	PC-id_112716288	209.242	FDVGYBYFXGWCTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016466
NCC1(CC(=O)O)C(C)Cc2c1cco2	PC-id_112716279	209.242	TYSIMXWGHCHLIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016467
NCC1(CC(=O)O)C(C)Cc2c1coc2	PC-id_112716278	209.242	JDRIRMPVPSYPDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016468
NCCC1(O)C(C)Cc2c1cc(o2)CC	PC-id_112716344	209.285	USRZHZDTFJXXDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016660
NCC1(CC(=O)O)C(C)Cc2c1occ2	PC-id_112716277	209.242	DLYURIATVGWDNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016469
o1c2c(c(c1C(C)C)CC(=O)O)CNC2	PC-id_84780533	209.242	HWXDITDBNRFHPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016470
o1c2c(CCC2)cc1C(CC(=O)O)CN	PC-id_82612016	209.242	APXKDMFQDGAZJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016471
o1c2C(CCc2cc1C)(CC(=O)O)CN	PC-id_83909297	209.242	NNEGPEMGKNKAAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016472
o1c2c(CCC2)c(C(CN)C(=O)O)c1C	PC-id_84780565	209.242	IZWAZINESUBNAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016473
o1c2c(CCC2)c(CC(N)C(=O)O)c1C	PC-id_84780585	209.242	SRZZTIMUVYIPGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016474
o1c2c(CCC2)c(C(N)CC(=O)O)c1C	PC-id_84780572	209.242	QOYQOYQDCMKXKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016475
o1c2c(C(CC2)(CC(=O)O)CN)cc1C	PC-id_83909298	209.242	CJCORAXIMIFCRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016476
o1c2C(CCc2nc1C(C)C)CC(=O)O	PC-id_83884287	209.242	MQJIYMCXBLDPJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016477
o1c2CCC(c2nc1C(C)C)CC(=O)O	PC-id_83884289	209.242	ZKSXGKAMKLSJEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016478
o1c2CC(C)C(N)(C(=O)O)c2cc1CC	PC-id_112716297,MCULE-3998364226	209.242	RILOCWMUNFPWJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016479
o1c2c(CN(C2)C)c(c1C(C)C)C(=O)O	PC-id_84780534	209.242	CDZFGJMHCGSJKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016480
o1c2c(C(N)(CC2)C(=O)O)cc1C(C)C	PC-id_83909311	209.242	FQNWPWZSNOISFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016481
o1c2c(C(N)(CC2)C(=O)OC)cc1CC	PC-id_83909306	209.242	JXGSAONUVQYFPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016482
o1c2c(C(N(C)C)(CC2)CC(=O)O)cc1	PC-id_83834425	209.242	IJFOVVVYXVUGRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016483
o1c2CN(Cc2cc1C(=O)OC)C(C)C	PC-id_15721852	209.242	SWGGJBSOINABGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016484
o1c2C(N)(CCc2cc1C(C)C)C(=O)O	PC-id_83909309	209.242	SQMXYWOVOWONBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016485
o1c2C(N)(CCc2cc1CC)C(=O)OC	PC-id_83909305	209.242	IRKIFLFOHBYIDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016486
O1Cc2c(c([nH]c2C1)C(C)C)CC(=O)O	PC-id_84780536	209.242	HDKZTMWKQGWCDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016487
O1Cc2c([nH]c(C(C)(C)C)c2C(=O)O)C1	PC-id_84780535	209.242	ISYNTGLRVGKUJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016488
o1c(C(C)(C)C)c(c2c1CNC2)C(=O)O	PC-id_84780532	209.242	XRIACSUVXITYTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016489
o1nc2c(c1C(CC(=O)O)(C)C)CCC2	PC-id_83858731	209.242	AJCXVUCZZKXPPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016490
o1nc2c(CCC2)c1C(C(C)C)C(=O)O	PC-id_83858714	209.242	KWKXHJHGRUMKLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016491
o1nc2c(CCC2)c1CC(C)(C)C(=O)O	PC-id_83858732	209.242	JPHBKTYPUSMNAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016492
o1nc(c2C(CCc12)CC(=O)O)C(C)C	PC-id_83861491	209.242	OYEQDTLYCUZVPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016493
o1nc(c2C(CCc12)C(=O)O)C(C)(C)C	PC-id_83861456	209.242	HRZYFINGVOOPTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016494
OC1(c2c(CC1)cn(c2)C(C)C)C(=O)O	PC-id_83909300	209.242	KRCCNKYUPJMPOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016495
O(c1c2CCCc2[nH]c1C(=O)OCC)C	PC-id_23824146	209.242	SJNLEXWDIWLJEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016496
O(C(C)(C)C)C(=O)N1Cc2c(occ2)C1	PC-id_84676698	209.242	LFJNAXDUECNTGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016497
OC(=O)C1c2n(CC1)cc(c2)CCOC	PC-id_12795106	209.242	LYBABTXWHBZMFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016498
O=C1c2n(CC1=Cc1ccccc1)ccc2	PC-id_20765060	209.243	XOODDOQETMCVTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-016499
O=C1C=Cc2n1c(cc2)Cc1ccccc1	PC-id_102517085	209.243	YMJHWEHBMHPGQN-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-016500
O=C(C1=Cc2n(C1)ccc2)c1ccccc1	PC-id_12519055	209.243	AHTCGLMZZZSSCF-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-016501
O=C(c1cn2c(c1)C=CC2)c1ccccc1	PC-id_21766461	209.243	NRXOWRGCWLFJAA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-016502
c12CN(Cc1nn(C(C)C)c2)C(=O)OC	MCULE-9615197323,EMOLS-id_324338785	209.245	UGYDQCFHFUKGOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016503
c12CN(CCC)Cc1c(C(=O)O)n(C)n2	PC-id_112716890,MCULE-9937188592	209.245	WHVRQSXLEGLZNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016504
C1COCCC1Nc1n[nH]c2c1OCC2	PC-id_89672725,SCHEMBL15088466	209.245	KLOINSNBNLUWQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016505
c1(C(=O)N(C)CCO)c2CCCc2[nH]n1	EMOLS-id_323258808,PC-id_110898747,MCULE-1368979147	209.245	MBQYHYRTLCRVNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016506
c1(C(=O)NCC(C)O)c2CCCc2[nH]n1	MCULE-5696943526,EMOLS-id_323257782,PC-id_110898814	209.245	UBOGPRMNHRGAQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016507
c1(C(=O)NCCCO)c2CCCc2[nH]n1	MCULE-8376450168,PC-id_110898774,EMOLS-id_323258038	209.245	CXAJPEOXAMOPRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016508
c1(C(=O)NCCOC)c2CCCc2[nH]n1	MCULE-7577852955,PC-id_110388809,EMOLS-id_179744506	209.245	IMQCJWJOIVASJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016509
c1(C(=O)NCCOC)cn2c(CCC2)n1	MCULE-7853218291,EMOLS-id_321295827	209.245	ACCLBVYPLUNCKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016510
c1(C(=O)N[C@@H](C)CO)c2CCCc2[nH]n1	EMOLS-id_323260087,MCULE-8242277417	209.245	PFSGOABIHUXBLO-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-016511
c1(C(=O)OC)c2CNCc2nn1CCC	EMOLS-id_324343658,MCULE-7820504653	209.245	KJWRTBFQZWQJCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016512
c1(C(=O)OCC)c2CNCc2nn1CC	EMOLS-id_324342638,MCULE-9525040235	209.245	RHZDECBCQVHEDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016513
C1(N)(C(=O)OC)c2cn(C)nc2CC1C	MCULE-4050826298,PC-id_112716314	209.245	BNCBFUDGCCCFOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016514
Cc1c2n(CCO2)nc1C(=O)NC(C)C	PC-id_91959950	209.245	HLEVBCWLZIETLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016515
CC1Cc2c(C1(N)C(=O)O)c(nn2C)C	PC-id_112716321	209.245	XYGUCXSMODTTSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016516
CC1Cc2c(C1(N)C(=O)O)c(n(n2)C)C	PC-id_112716322	209.245	VLBJNSFZORWHRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016517
CC1CCc2c1c(CN)nn2CC(=O)O	MCULE-9004257241,EMOLS-id_331014394	209.245	HRNPSVQPHRZVSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016518
CC1CCc2nn(CC(=O)O)c(CN)c12	EMOLS-id_331001529,MCULE-7656866103	209.245	ZAUOXBCWCWRAAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016519
CCc1nn2CCNc2c1C(=O)OCC	PC-id_137221523,SCHEMBL18740199	209.245	UVSRCTPJQHJABL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016520
CC(C)c1c2NCCn2nc1C(=O)OC	PC-id_137184438	209.245	YYQOXCPOETUTNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016521
CC(Cc1nnc2n1CCC2)CC(=O)O	EMOLS-id_39484207,PC-id_62943918	209.245	DESQLLCGECJPHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016522
CCCC(C(=O)N1Cc2c(C1)cn[nH]2)O	EMOLS-id_319570317	209.245	KMNOJNHEFQYDIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016523
CCCC(C(=O)N1CCn2c1ccn2)O	MCULE-9594664185,EMOLS-id_320150175	209.245	HHGPHPIBUICKAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016524
CC(C)(C)n1c2c(CN(C2)C(=O)O)cn1	PC-id_89723555,SCHEMBL15152857	209.245	KSUJKGLFHZXGHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016525
CC(C)(C)n1cc2CN(Cc2n1)C(=O)O	SCHEMBL15152898,PC-id_89723588	209.245	DILQJWFKKAVQHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016526
CC(C)(C)n1nc2COCc2c1C=NO	EMOLS-id_324401245,MCULE-1762686205	209.245	UMPPJJGKADYXEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016527
CCCCNC(=O)c1nn2CCOc2c1	PC-id_91959840	209.245	KLEDEDQEIYPUIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016528
CC(C)CNC(=O)c1nn2CCOc2c1	PC-id_91959875	209.245	LFSWROTXSTYNFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016529
CCC(C)NC(=O)c1nn2CCOc2c1	PC-id_91959876	209.245	PFZKGIMBXGXEFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016530
CC(C)(C)OC(=O)c1cnn2CCNc12	MCULE-7724466448,EMOLS-id_316744574	209.245	HTVYRAMHNTWEMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016531
CC(C)(C)OC(=O)C1NCc2n[nH]cc12	EMOLS-id_277329651,MCULE-2576077082	209.245	RLGFZITYNLPWEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016532
CCCCOC(=O)N1Cc2c(C1)cn[nH]2	PC-id_140318681	209.245	QVQQCYGLMAGWKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016533
CC(C)(C)OC(=O)n1cc2CNCc2n1	PC-id_135314250,SCHEMBL20483378	209.245	NLZNQVXJDXAXLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016534
CC(C)(C)OC(=O)N1Cc2c[nH]nc2C1	ZINC22_4243146,EMOLS-id_4365071,PC-id_7147072,SCHEMBL2344939,CHEMBL4573961,MCULE-5560306486,EMOLS-id_317713823,EMOLS-id_43481643	209.245	IBUNCTVDGYIKAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016535
CC(C)(C)OC(=O)N1Cc2nc[nH]c2C1	MCULE-7719154182,EMOLS-id_31420637,PC-id_25324786,SCHEMBL17373227,ZINC22_12506798	209.245	NMISNVXMWMBRGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016536
CC(C)(C)OC(=O)N1CCn2nccc12	SCHEMBL12350241,PC-id_58377034,EMOLS-id_336477949	209.245	WRFMBCUHWNSEII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016537
CC([C@@H](C(=O)N1CCn2c1ncc2)O)C	EMOLS-id_279043822	209.245	MXNPKMNDAAJLJS-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016538
CC([C@H](C(=O)N1CCn2c1ncc2)O)C	EMOLS-id_316580815	209.245	MXNPKMNDAAJLJS-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016539
CCCN1Cc2c(C1)n(nc2C(=O)O)C	PC-id_112716891	209.245	UZANFHBVZRSWRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016540
CC(Cn1nc2c(c1C(=O)O)CNC2)C	PC-id_105462949	209.245	HBTNOBHMHJNESZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016541
CC(Cn1nc(c2c1CNC2)C(=O)O)C	PC-id_105462941	209.245	DVMXCXOGEQICOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016542
CCN1Cc2c(C1)c(n(n2)CC)C(=O)O	PC-id_105462895	209.245	VUJQHSUFHRKPOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016543
CCN1Cc2c(C1)c(nn2CC)C(=O)O	PC-id_105462897	209.245	WBJMEOLMBWSQJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016544
CCN1Cc2c(C1)cn(n2)CC(=O)OC	PC-id_70938184,SCHEMBL13563307	209.245	PSZJTKBBZODSMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016545
CC(n1nc2c(c1CC(=O)O)CNC2)C	PC-id_112711077	209.245	OLGNFBIMAIQYHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016546
CCOC(=O)C1Cc2c(N1)n(nc2C)C	PC-id_137225521	209.245	RLZLSKKFNLVCOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016547
CCOC(=O)c1c(CN)nn2CCCc12	EMOLS-id_329942000	209.245	KGNYQGBIFOZPCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016548
CCOC(=O)c1nc2c(n1CC)CNC2	SCHEMBL17380701,PC-id_118614429	209.245	LCAIVTANTSCLDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016549
CCOC(=O)c1n[nH]c2c1CNC2(C)C	MCULE-7863517339,EMOLS-id_317457180	209.245	PBBUEXMVQYYZNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016550
CCOC(=O)C(c1c2n(CCC2)cn1)N	MCULE-9114341970,EMOLS-id_324036303	209.245	PQQXDXBPTTTYPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016551
CCOC(=O)Cn1nc2c(c1N)CCC2	PC-id_65348834,EMOLS-id_41192223	209.245	ZTPJJEKJBOLBQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016552
CCOC(=O)n1nc(c2c1CNC2C)C	PC-id_141219073	209.245	PYHXQWUAOWDHPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016553
CN1Cc2c(C1)c(nn2C(C)C)C(=O)O	PC-id_112711021	209.245	SDVSLVLSTOGZQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016554
CN1Cc2c(C1)c(n(n2)C(C)C)C(=O)O	PC-id_112711064	209.245	SPPDXOXZAOFUOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016555
CN1CCn2c1ccc2CC(C(=O)O)N	PC-id_112487332	209.245	MQSDYPYPWXWIHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016556
CN1CCn2c1ccc2C(C(=O)O)CN	PC-id_112487335	209.245	ONOUANHDETWOGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016557
COC[C@H](C)n1nc(C)c2c1CNC2=O	ZINC22_634610799	209.245	GUPCKRHKQXGLMT-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-016558
COC[C@@H](C)n1nc(C)c2c1CNC2=O	ZINC22_634610800	209.245	GUPCKRHKQXGLMT-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016559
COCC(n1nc(c2c1CNC2=O)C)C	MCULE-1189878335,PC-id_145910307,EMOLS-id_324058229	209.245	GUPCKRHKQXGLMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016560
COC(=O)c1c2CNCc2nn1C(C)C	PC-id_105462898	209.245	IJXLHPSJHSYTQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016561
COC(=O)c1c([N+]#N)sc2c1CCC2	PC-id_59270436,SCHEMBL12082796	209.245	YKPAWHIOBQFSQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016562
COC(=O)C1(N)C(C)Cc2c1c(C)[nH]n2	PC-id_112716312	209.245	ZGUXBUMNHOIZHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016563
COC(=O)C1(N)C(C)Cc2c1cnn2C	PC-id_112716315	209.245	PXXBHBOOWYZLJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016564
COC(=O)c1nn(c2c1CNC2)C(C)C	PC-id_105462901	209.245	WOCPBWLKYYZHRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016565
COC(=O)C(C1CC(n2c1ncc2)C)N	MCULE-4008794681	209.245	VBBAJVOEISXBMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016566
COC(=O)C(c1nc2c([nH]1)CCC2C)N	PC-id_102970192	209.245	AOWWNWSUSXYPBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016567
COC(=O)C(CN)c1n[nH]c2CCCc12	EMOLS-id_313917264,MCULE-3982471690	209.245	GUFYURMGPVEKFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016568
COC(=O)[C@H](c1nc2c([nH]1)CCC2C)N	PC-id_102970207	209.245	AOWWNWSUSXYPBV-MSZQBOFLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016569
COC(=O)Cn1nc2CCC(C)c2c1N	EMOLS-id_331014820,MCULE-5295671278	209.245	OJZPMDIYWHSMTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016570
COC(=O)Cn1nc(N)c2C(C)CCc12	EMOLS-id_330968817,MCULE-7348686405	209.245	REPUVZJQMYONAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016571
COC(=O)N1Cc2c(C1)[nH]nc2C(C)C	SCHEMBL17229847,PC-id_118489364	209.245	HFOXFJKCAWXBJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016572
NCC1(CCc2c1c(C)[nH]n2)CC(=O)O	PC-id_112716309	209.245	RDDDBZYDROFCFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016573
NCC1(CC(=O)O)C(C)Cc2c1cn[nH]2	PC-id_112716307	209.245	OVQBBALNROXONJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016574
NCC(c1c(C)nc2n1CCC2)C(=O)O	PC-id_112546053	209.245	XOSAHSFXVXBJAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016575
NCC(CC(=O)O)c1n[nH]c2CCCc12	EMOLS-id_313914195,MCULE-6934095422,PC-id_84676871	209.245	BWRQTCLKWRSHAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016576
NC(CCC(=O)O)c1n[nH]c2CCCc12	PC-id_84676870,MCULE-5090430966,EMOLS-id_313914451	209.245	GPWCUIUFZVIFTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016577
O=c1n2n(C(=C)C(C2C)(C)C)c(=O)n1C	PC-id_10262503	209.245	WAICLLNNBMSFSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016578
O=c1n(CC2CCCN2)[nH]c2c1COC2	PC-id_105462955	209.245	WCTMCDCFGCDNIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016579
O=c1n(CC2CCNC2)[nH]c2c1COC2	PC-id_105462954	209.245	ILBTWGVSWXJBLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016580
O(C(C)(C)C)C(=O)n1ncc2NCCc12	PC-id_66810626,SCHEMBL827484	209.245	YWOYMMLEBQMLJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016581
O=C([C@H](O)C)NCc1cnc2n1CCC2	EMOLS-id_319157348	209.245	CDYMEPLPABQLFP-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016582
OCC(NC(=O)c1n[nH]c2c1CCC2)C	PC-id_110898859	209.245	PFSGOABIHUXBLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016583
O=C(n1cc2c(c1)CNN2)OC(C)(C)C	PC-id_141160936	209.245	LIUBBXYMQXMVKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016584
OC(=O)c1c2CNCc2nn1C(C)(C)C	PC-id_105462948	209.245	FQPYGHKYZDULLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016585
OC(=O)C1c2n(CC1)cnc2CN(C)C	PC-id_82395104	209.245	UVQHWGYGZDMGSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016586
OC(=O)C1(N)c2c([nH]nc2C(C)C)CC1	PC-id_83909324	209.245	VZRSFIWHXYPQFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016587
OC(=O)C1(N)Cc2c(C1)[nH]nc2C(C)C	PC-id_112487344	209.245	SUZLTKPIDZRFQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016588
O(C(=O)C1(N)CCc2n(nc(c12)C)C)C	PC-id_83909317	209.245	XWJMOQBAHULGKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016589
O(C(=O)C1(N)CCc2nn(c(c12)C)C)C	PC-id_83909318	209.245	CAPGWZSBMGSYFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016590
OC(=O)c1nn(c2c1CNC2)C(C)(C)C	PC-id_105462940	209.245	DTLOZZDXQQAUFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016591
OC(=O)c1n(nc2CN(Cc12)C(C)C)C	PC-id_83916703	209.245	MWQGYAMTMOKLFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016592
OC(=O)c1nn(c2CN(Cc12)C(C)C)C	PC-id_83916711	209.245	PJZYNNRUHDIZGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016593
OC(=O)c1n[nH]c2c1CN(C2)C(C)(C)C	PC-id_105462896	209.245	IJHNAZXGTCVYHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016594
OC(=O)CC1(CCc2nn(cc12)C)CN	PC-id_83909312	209.245	IOOLXPNCLALXPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016595
OC(=O)CC1(CCc2n(ncc12)C)CN	PC-id_83909313	209.245	IKJOAGNBQJRKKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016596
OC(=O)CC1CCc2nnn(c12)C(C)C	PC-id_83884388	209.245	DBUAXLJQEZLUTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016597
OC(=O)CC1CCc2n(nnc12)C(C)C	PC-id_83884392	209.245	FBYOIPOIHMIYIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016598
O(C(=O)C(c1n2CCCc2nn1)C)CC	PC-id_79472435	209.245	ZDRNWSKFLDZOER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016599
OC(=O)C(c1nn(c2c1CCC2)C)CN	PC-id_84676866	209.245	OLWNXJIQODHJFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016600
OC(=O)C(c1n(nc2c1CCC2)C)CN	PC-id_84676874	209.245	VEDBQPAYGPUQGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016601
OC(=O)Cc1nn(c2c1CNC2)C(C)C	PC-id_112711032	209.245	BNKUZNRPZOWFBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016602
OC(=O)C(c1n[nH]c2c1CCC2)CCN	PC-id_83858880	209.245	VGFQEZLEKFNROV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016603
OC(=O)CC(c1c(C)nc2n1CCC2)N	PC-id_112546054	209.245	JDFCNQZVDKTGLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016604
OC(=O)C(Cc1c(C)nc2n1CCC2)N	PC-id_112546055	209.245	BAEVSPVOBXKOEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016605
OC(=O)C(Cc1nc2n(c1C)CCC2)N	PC-id_112487331	209.245	VORBDKVMZQVXFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016606
OC(=O)C(C(c1nnc2n1CCC2)C)C	PC-id_103501172,EMOLS-id_266328616	209.245	HXPDJJNFMXVXRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016607
OC(=O)CCCCc1n2CCCc2nn1	EMOLS-id_39421480,PC-id_62874180	209.245	DTQOMDHXGRRJGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016608
OC(=O)CC(N)c1nn(c2c1CCC2)C	PC-id_84676865	209.245	NHCPLEYSTHRWSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016609
OC(=O)CC(N)c1n(nc2c1CCC2)C	PC-id_84676873	209.245	CKIQXHJBXZFBMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016610
OC(=O)Cn1nc2c(c1N)C(CC2)(C)C	EMOLS-id_42572793,PC-id_79865317	209.245	HGUYUMDMMIGUQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016611
OC(=O)CN(C1CC(n2c1ncc2)C)C	EMOLS-id_107404899	209.245	ITCXYYPCHXOJHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016612
OC(=O)C(N)Cc1n2c(CCC2)c(n1)C	PC-id_82660094	209.245	SETCXHUWDHYQDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016613
OC(=O)C(N)Cc1nc(n2c1CCC2)C	PC-id_82395109	209.245	OBTNLHRJIWHOMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016614
OC(=O)C(N)Cc1nn(c2c1CCC2)C	PC-id_84676864	209.245	KYTIAIBCBIMCBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016615
OC(=O)C(N)Cc1n(nc2c1CCC2)C	PC-id_84676872	209.245	JOKKYWMKQKKGJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016616
n12nnc(c1CCC2)C#Cc1ccccc1	PC-id_71747295	209.247	HAIQFRZXLXRGDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-016617
CCOc1nn2c(c1N)N=NC2C(C)C	SCHEMBL6286477,PC-id_69732825	209.248	QCDLUNHNYKWTCL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016618
n12CCCc1nnc2CCNC(=O)CN	MCULE-9330046742,PC-id_83626498	209.248	XXABMRMGWUUEQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016619
n1c(CN2CCNCC2)nn2CCOc12	MCULE-1602747654	209.248	BHJHRPCMURHRAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-016620
NCC(=O)NC(c1nnc2n1CCC2)C	PC-id_43698118,EMOLS-id_37794850	209.248	HWDVQBAPLUNUOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016621
NCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_60963702,EMOLS-id_37961443	209.248	JPNHPCJAQDVKMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016622
O=C(N1Cc2c(nn(c2N)C)C1)N(C)C	PC-id_84676926	209.248	XRGXAENMAHRWTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016623
O=C(NCc1n2CCCc2nn1)CCN	PC-id_83626493	209.248	RFFQYTNOMQCUSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016624
O=C(NCc1n2CCCc2nn1)C(N)C	PC-id_83626491	209.248	AJQFOMDYQRQTQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016625
p1cn2C[N+](=Cc2c1)CCCCCC	PC-id_23380183	209.248	PXCCWNNASMHTMT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016626
CN(/N=C(/c1nc2c(n1C)CNC2)N)N	PC-id_144979445	209.252	JYGPQNHFKSQIHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016627
N/N=C(/c1nc2c(n1C)CNC2)N(N)C	PC-id_145281982	209.252	OWPWXPSBRCTDIY-JYRVWZFOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016628
C(C1CO1)ON=C1CCc2c1ccs2	PC-id_54552282,SCHEMBL11259391	209.265	ZKSSTOVQFIZAMH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-016629
C(C1CO1)O/N=C/1CCc2c1ccs2	SCHEMBL11259387	209.265	ZKSSTOVQFIZAMH-PKNBQFBNSA-N	00100010100000000000000010000000000000000000000000000000	25-01-016630
CCCCN1C(=O)c2c(C1=O)csc2	SCHEMBL16356282,PC-id_117787893	209.265	CPHNCQQWAGLGNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016631
CCCCN1C(=O)c2c(C1=O)scc2	PC-id_71014660,SCHEMBL13859027	209.265	YOGNXABEWXQGJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016632
CCCN1C(=O)c2c(C1=O)c(sc2)C	PC-id_145562166	209.265	FWKTZUJKSZUVSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016633
CC(CN1C(=O)c2c(C1=O)csc2)C	PC-id_58799635,SCHEMBL8282201	209.265	AOSKWYOOFVHGKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016634
CC(CN1C(=O)c2c(C1=O)scc2)C	SCHEMBL8283569,PC-id_58799518	209.265	FBKYZSOIJCLKMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016635
CC(=O)Nc1sc2c(c1C)CCC2=O	SCHEMBL14502266,PC-id_58862026	209.265	OYFURBYJDIWRIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016636
OC(=O)N1Cc2c(C1)c(sc2)C(=C)C	PC-id_67804043,SCHEMBL9242399	209.265	MLXSTBSHBHHJKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016637
[O-][N+](=O)CC1CC(=C)c2c1scc2C	PC-id_68334739,SCHEMBL12644104	209.265	XILWDPVAPXTSIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016638
s1c2c(C(CC2=O)CC(=O)NC)cc1	PC-id_21770074	209.265	KTGHRQGSEPNVKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016639
s1c2CCN(c2cc1C(=O)C)C(=O)C	PC-id_82395079	209.265	LOZQZLOZGZOMMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016640
s1c2C(=O)N(C(C)(C)C)C(=O)c2cc1	PC-id_15022429	209.265	GYLVUBVKJULVBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016641
CC1(C(n2cncc2S1)C(=O)N)C=C	SCHEMBL20743357,PC-id_137499640	209.268	ZDUGAVKGZRRIFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016642
CCC1=Nc2n(S1C(C#C)O)cnc2	SCHEMBL20743816	209.268	PXOYALANCMEUOV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016643
C[C@@H]1Cc2ccsc2/C/1=NNC(=O)N	CoCoCo_5411707,LI_127110	209.268	YZCNNBCXCLVPLC-JADVCHOISA-N	00000010100000000000000010000000000000000000000000000000	25-01-016644
NC(=O)N/N=C
/[C@@H](C)Cc2c1scc2	CoCoCo_5411705	209.268	YZCNNBCXCLVPLC-YQAYSKQASA-N	00000010100000000000000010000000000000000000000000000000	25-01-016645
NC(=O)N/N=C/1[C@@H](C)Cc2c1scc2	CoCoCo_5411706	209.268	YZCNNBCXCLVPLC-OKKRABOVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016646
NC(=O)N/N=C/1[C@H](C)Cc2c1scc2	NSC95248,CoCoCo_5411704	209.268	YZCNNBCXCLVPLC-VRMPMYDSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016647
OCC(N=[N+]=[N-])c1cc2CCCc2s1	MCULE-1331645535,EMOLS-id_313793997	209.268	WJPFWFRDORUMLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016648
s1c2c(CC(C2=NNC(=O)N)C)cc1	PC-id_262056	209.268	YZCNNBCXCLVPLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016649
s1c2c(nc1NC(=O)C1CC1)CNC2	PC-id_82194091	209.268	AKVVHHVYBGIYHN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016650
s1c2CN(C(=O)C3CC3)Cc2nc1N	PC-id_82194201	209.268	AFPMDNRRAQORIQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016651
CCC1=C[N+](n2c1c(N)nc2N)(N)CC	PC-id_69343791,SCHEMBL5180203	209.271	SKQWQLKMIWVLNJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016652
CCC1=C(N)[N+](n2c1cnc2N)(N)CC	PC-id_69348980,SCHEMBL5194667	209.271	NMXDXRAAWMSAJE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016653
NC(=S)NN=C1CC(n2c1ncc2)C	EMOLS-id_114691650	209.271	DTKJNVLEDUQXOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016654
c1(CNCC)c(COC)oc2CCCc12	PC-id_83610051,MCULE-4529608687	209.285	LGMCFCHCILWYLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016655
CCCCn1c(c2CC(Cc2c1O)C)O	PC-id_91478207	209.285	LGQHSSKQFFJQDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016656
CCOC(c1[nH]c2c(c1)CC(C2)(C)C)O	SCHEMBL18627665	209.285	DXUFYSXJSNQXOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016657
NCC1(O)C(C)Cc2c1cc(o2)C(C)C	PC-id_112716338	209.285	QMQAAIMMGHHUCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016658
NCC1(O)C(C)Cc2c1oc(c2)C(C)C	PC-id_112716336	209.285	IKIBURLIZOPYSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016659
NCCC1(O)C(C)Cc2c1oc(c2)CC	PC-id_112716343	209.285	VLGZVVIVHRTAOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016661
o1c2c(c(c1C(C)C)C(N)CO)CCC2	PC-id_84677136	209.285	OOUXYSQSDODBTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016662
o1c2c(CCC2)c(c1C(C)C)C(O)CN	PC-id_84677135	209.285	ACLPMGCBYJPLKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016663
o1c2c(CCC2)c(c1C)CNCCOC	PC-id_83610129	209.285	MHPNDGFPLPFECE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016664
o1c2c(C(O)(CC2)CCN)cc1C(C)C	PC-id_83909366	209.285	ZEHYTUDVNMRYDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016665
o1c2C(N)(CO)C(C)Cc2cc1C(C)C	PC-id_112716349,MCULE-2862797312	209.285	KNKRPAJGJXXGCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016666
o1c2C(O)(CCc2cc1C(C)C)CCN	PC-id_83909364	209.285	DFEOWPNMVRBXOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016667
o1c(C(C)(C)C)c(c2c1COC2)CCN	PC-id_84780784	209.285	PRZVIOVNXQEBMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016668
O(C1(CCc2occc12)CN)C(C)(C)C	PC-id_84677157	209.285	KHNKUZWATJLRCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016669
OCC1(N)C(C)Cc2c1cc(o2)C(C)C	PC-id_112716351	209.285	DGFRRSOGSACLMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016670
c12C(C)CCc1n(nc2O)CCN(C)C	MCULE-5011805471,EMOLS-id_330959867	209.288	CDHBBPKXUDKIGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016671
c12C(C)CCc1nn(CCN(C)C)c2O	EMOLS-id_331007406,MCULE-9965088403	209.288	VRZXTXRIPQPPQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016672
c12CC(C)C(CCN)(O)c1c(C)n(C)n2	MCULE-4065131859,PC-id_112716367	209.288	OFELZLYTVAPMCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016673
c12CC(C)C(CCN)(O)c1c(C)nn2C	PC-id_112716366,MCULE-6766508669	209.288	HRQFNRINWZRUNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016674
c1(CN(C)C)c2COCc2nn1C(C)C	EMOLS-id_324402521,MCULE-8893990980	209.288	XCURDETVJVOQRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016675
c1(N(CCN)C(C)C)oc2c(CCC2)n1	MCULE-9439496941,PC-id_112710205	209.288	NAMVOFCLEJBNFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016676
CC1CCc2c1c(CN)nn2CCCO	EMOLS-id_331017210,MCULE-2340396399	209.288	UVTAHBSNHCSWJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016677
CC1CCc2c1c(CO)nn2CCCN	EMOLS-id_331013364,MCULE-4533329967	209.288	REMXWMIVAVKXPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016678
CC1CCc2nn(CCCN)c(CO)c12	EMOLS-id_330997172,MCULE-5694127364	209.288	PRTORXKNWDBWMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016679
CC1CCc2nn(CCCO)c(CN)c12	MCULE-3647389936,EMOLS-id_331000250	209.288	QRLLSFMPEUBPSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016680
CC1OCc2c1nc([nH]2)CNC(C)(C)C	PC-id_107447098	209.288	KQAAPHAESWIWID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016681
CC(CC1N(C)Cc2c1n(C)[nH]c2=O)C	PC-id_112710499	209.288	QKLQHIQDUTZKIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016682
CC(CC(c1nc2c([nH]1)COC2C)N)C	PC-id_102970362	209.288	PYHQBQRCFMGFPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016683
CCC(O)Cn1nc2CCC(C)c2c1N	EMOLS-id_331016356,MCULE-8407767170	209.288	RHYUUPPHYPOVSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016684
CCC(O)Cn1nc(N)c2C(C)CCc12	MCULE-9233236843,EMOLS-id_330966258	209.288	XJVZAVLDYKTEAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016685
CCN1Cc2c(C1)cn(n2)CC(O)(C)C	SCHEMBL13563221,PC-id_70938160	209.288	AKAOLXOGOHPIBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016686
CCNc1[nH]nc2c1C(C)(C)OC2(C)C	EMOLS-id_313572698,PC-id_79927210	209.288	BSXSYADTFOIPDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016687
CNCc1c2COCc2nn1CC(C)C	MCULE-5908853152,EMOLS-id_324400473	209.288	UQWHLYXVVZVVAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016688
CNCc1c2C(O)CCc2nn1C(C)C	PC-id_112711202	209.288	XIHRMRKDHYGKRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016689
CNCc1nc2c([nH]1)C(OC2(C)C)(C)C	PC-id_79928798,EMOLS-id_313543137	209.288	QCPBDFAGJWFEBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016690
CNCc1nn(c2c1C(O)CC2)C(C)C	PC-id_112711189	209.288	VTKHOQJEQUWMRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016691
CNCC(O)c1c(C)c2CNCc2n1C	MCULE-8011506035,EMOLS-id_324783777	209.288	GYZFHHKOTSSUHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016692
COCCN1Cc2c(C1)c(n[nH]2)C(C)C	PC-id_118489250,SCHEMBL17229723	209.288	JGHSZICSGNZAOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016693
COCCNc1[nH]nc2c1CCC2(C)C	EMOLS-id_42571373,PC-id_79863697	209.288	NSRLDKGBQGYIIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016694
COCCNc1n[nH]c2c1CCC2CC	PC-id_116177049	209.288	QNBZKBTXLVWJEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016695
NCC1(O)C(C)Cc2c1c(n[nH]2)C(C)C	PC-id_112716360	209.288	VCGRSDXGZLRPNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016696
NCCc1c2C(O)CCc2nn1C(C)C	PC-id_112711201	209.288	XIQAQOLRJIYGTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016697
NCC(c1nc2c([nH]1)COC2C)C(C)C	PC-id_107444417	209.288	LUOPCMSVWRYCKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016698
NCCc1nn(c2c1C(O)CC2)C(C)C	PC-id_112711188	209.288	MKWFVUXZWXXJRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016699
N[C@@H](C(C)(C)C)c1nc2c([nH]1)COC2C	PC-id_102970386	209.288	KIACZOIXMYOQFB-IOJJLOCKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016700
OC1(c2c(nn(c2C(C)C)C)CC1)CN	PC-id_83909374	209.288	LNKNAUGNXOBZCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016701
OC1(c2c(n(nc2C(C)C)C)CC1)CN	PC-id_83909375	209.288	QRHBCYAWTFDSLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016702
OC1(CCc2[nH]nc(c12)C(C)C)CCN	PC-id_83909379	209.288	UMBXANJNYWPVLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016703
O=c1[nH]n(c2C(N(Cc12)C(C)C)CC)C	PC-id_83848733	209.288	HWNRVSRPUCPDTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016704
O=c1[nH][nH]c2C(N(Cc12)C)(C(C)(C)C)C	PC-id_83855286	209.288	MBXZZGQYZXJONU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016705
OCC1(N)CCc2c1c(C(C)C)n(n2)C	PC-id_112716379	209.288	JNDNAMOCJUMNEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016706
OCC1(N)CCc2c1c(nn2C)C(C)C	PC-id_112716380	209.288	ZUGUGEFFZAWHNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016707
S1c2n(nc(C(C3CC3)CN)c2)CC1	PC-id_82660207	209.311	NWZQBSWVIMEXKO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016756
OCC1(N)C(C)Cc2c1c(n[nH]2)C(C)C	PC-id_112716378	209.288	QRDWQHPJVJRXJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016708
OCCn1nc2c(c1)CN(C2)C(C)(C)C	SCHEMBL13562717,PC-id_70937956	209.288	JCZZRBCTRQRNFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016709
s1c2CCCc2cc1C(=O)N=C=S	PC-id_43514633,EMOLS-id_37685642	209.288	CHFKSVZQKNIPPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016710
CC(C1NNc2cc(nn12)C(C)(C)C)N	PC-id_136182040	209.291	JVHDMIBVDUNKPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016711
CC(C)(C)c1nn2C(NNc2c1)CCN	PC-id_136656691	209.291	JRRQJQVLJJFDDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016712
CC(CC(c1nnn2c1N(C)CC2)N)C	PC-id_112487258	209.291	UIMMCGXTWPHTIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016713
n12CCCc1nnc2C(NCCCN)C	EMOLS-id_314262429,PC-id_81739506	209.291	XHDPAKKDUMYQFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016714
N1(c2n(nnc2C(C(C)C)CN)CC1)C	PC-id_83884644	209.291	GDMNCORDGIKWCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016715
N1(c2n(nnc2C(N)C(C)(C)C)CC1)C	PC-id_82395031	209.291	DPUUYNDIUROMBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016716
NC[C@H](N1Cc2c(C1)cn[nH]2)C[C@H](N)C	PC-id_144161479	209.291	DBUCVJPIFPQFIK-VXNVDRBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016717
NCC(NC(c1nnc2n1CCC2)C)C	PC-id_103388986	209.291	UODJVGIKILPMDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016718
C1Cc2cc(OC3CCNC3)sc2C1	EMOLS-id_313872455,MCULE-5856770276	209.308	QKJLBWDWHJDLQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016719
CC1(CNC1)Oc1cc2CCCc2s1	EMOLS-id_313873479,MCULE-5116455217	209.308	NKTPCXOPAMWETB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-016720
CCC1CCc2c1c(C(=O)C)c(s2)N	EMOLS-id_107406850,PC-id_116176050	209.308	HHHQNEONUJWKIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016721
CC(c1sc2c(c1C(=O)N)CCC2)C	PC-id_144046067	209.308	NSJLXHUCCWGPRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016722
CCCCCc1cc2c(s1)CC(=O)N2	PC-id_141156762	209.308	GEBMQRWUGSOAFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016723
CCCC(=O)c1c(N)sc2c1CCC2	PC-id_110172529	209.308	CTUAXJHBWQTGAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016724
CC(C)NC(=O)c1cc2c(s1)CCC2	EMOLS-id_37208864,PC-id_4248650,CK2061629,ZINC22_4948661	209.308	AWRQPNZMRYGKEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016725
CCCNC(=O)c1cc2c(s1)CCC2	MCULE-3175954888,CoCoCo_3868669,ZINC22_32720089,EMOLS-id_37231358,PC-id_39950138	209.308	LEBKCDKEYFGKAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016726
CC(C(=O)c1c(N)sc2c1CCC2)C	PC-id_65354937,EMOLS-id_41195827	209.308	ANSGIWGYWQTOCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016727
CCC(=O)NCc1sc2c(c1)CCC2	PC-id_61948417,EMOLS-id_38692621	209.308	JMYUGJZTYHKIRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016728
CC(=O)c1c(N)sc2CCC(C)(C)c12	EMOLS-id_42566901,PC-id_79864923	209.308	XCCFFFINUYTZED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016729
CCSC1(C)CC(=O)c2c1ccn2C	PC-id_122389990	209.308	YHKRCOHZMIYRMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016730
CN(C[C@@]1(C)Cc2c(C1=O)ccs2)C	PC-id_92151528,CoCoCo_5411695	209.308	WBSYDCDKHPIOFZ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016731
CN(C[C@]1(C)Cc2c(C1=O)ccs2)C	PC-id_92242175,CoCoCo_5411694	209.308	WBSYDCDKHPIOFZ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-016732
O1CC(C1)NCc1sc2c(c1)CCC2	EMOLS-id_39914240,PC-id_63622360	209.308	CPUXDXYHJFUJHN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-016733
OC1(Cc2cc3CCCc3s2)CNC1	MCULE-3815349070,EMOLS-id_313792204	209.308	KMTBYFZTWQIADY-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-016734
OCC1(CC1)NC1CCc2c1scc2	EMOLS-id_266334324	209.308	KCABOWPTOWUXEQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-016735
s1c2CC(CN(C)C)(C(=O)c2cc1)C	PC-id_417777	209.308	WBSYDCDKHPIOFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016736
s1c2C(NC(c2cc1C=O)(C)C)(C)C	PC-id_45097169	209.308	HDJJPPBGICUCHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016737
s1c2CN(Cc2cc1)C(=O)C(C)(C)C	PC-id_85814534	209.308	GHKFALCUDYJVOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016738
s1c2N(CCc2cc1C(C)C)C(=O)C	PC-id_14172049	209.308	JLEOVKQYCOHYJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016739
S=C(N)c1c2CCCc2oc1C(C)C	PC-id_83610286	209.308	CUEYYSZVQANJBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016740
S=C(N)c1c2CCCc2oc1CCC	PC-id_83610358	209.308	XRQXBQMJYRDFFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016741
C1CCC(C1)Sn1cc2CNCc2n1	PC-id_91466806	209.311	YKZQQEBLBNFRMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016742
C1CCC(C1)Sn1ncc2c1CNC2	SCHEMBL18756714	209.311	HSXTVDWPXZADIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016743
C1SCC(C1)CN1CCn2c1ncc2	MCULE-7035239823,EMOLS-id_316956730	209.311	ZTJPCJUHOMXOJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016744
CC(C)Nc1c2NCCn2[n+](c1)C(C)C	PC-id_89458385,SCHEMBL14803584	209.311	RUIWNBGKFYYWCN-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-016745
CCNc1c2CCCc2nn1C(=S)C	SCHEMBL13145675,PC-id_58824910	209.311	QNABLXZTVQPIOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016746
CCNc1nn(c2c1CCC2)C(=S)C	PC-id_58824879,SCHEMBL13145669	209.311	ZFLHYSCQIMRFTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016747
CCNC(=NN)c1sc2c(c1)CCC2	EMOLS-id_38249525,PC-id_61363234	209.311	BKUWKTBHEQTKQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016748
CNC(=N)NCc1sc2c(c1)CCC2	PC-id_62360435,EMOLS-id_38991928	209.311	BNYQKSGAYZPUJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016749
n1(CC2CC2)c(CN)c2c(CSC2)n1	MCULE-5911617932,EMOLS-id_324395613	209.311	FYUVUFRQOYCLGO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016750
NC1(CC1)CCc1cn2c(n1)SCC2	PC-id_105463492	209.311	XEPMVZNIDHYHTC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016751
NC1(CC1)CCc1cnc2n1CCS2	PC-id_105463488	209.311	RRVJRMBYIUYAMD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016752
NC1(CC1)CCc1nn2c(c1)SCC2	PC-id_105463491	209.311	HKDPFTIHPVIMIC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016753
Nc1nc2c(s1)CCC2CNC1CC1	EMOLS-id_266334666	209.311	XCKZGEFVRDVQFP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016754
s1c2CCCc2nc1NC1CCNC1	PC-id_83834622	209.311	NVCUGJOUSOGJKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016755
S1CC(C1)CNC1CCn2c1ncc2	MCULE-7463349549	209.311	GVZSESBBPUUXRK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-016757
CSC1=C(C=C)C(c2c1scc2)N	PC-id_144537710	209.331	BXMWXBMYMIEXCH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-016758
s1nc(c2c1[N+](=CC2)C(C)C)C(C)C	PC-id_58310302	209.331	HEWPORXEPHEWAN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016759
Cc1sc(c2c1CN(C2)C(C)(C)C)C	PC-id_122375116	209.351	GSATUMKNRZUJHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016760
CC(C1Cc2c(C1)nc(s2)C(C)C)C	SCHEMBL13086393,PC-id_59534154	209.351	GCPMCLHKMCCGND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016761
CCC1CCc2c1nc(s2)C(C)(C)C	EMOLS-id_114694017	209.351	GVYTXUSJVSTAIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016762
CC(c1nc2c(s1)C(CC2C)(C)C)C	EMOLS-id_114694026	209.351	WJHUUKWRFBFAOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016763
CC(c1sc2c(c1)CCC2C(N)C)C	PC-id_112716407	209.351	YUFHCRICHMRBSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016764
CC(c1sc2c(n1)C(CC2)(C)C)(C)C	EMOLS-id_107832807	209.351	VRNAXFFSDHAPTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016765
CC(c1sc2c(n1)C(CC2)C(C)C)C	PC-id_58125171,SCHEMBL12862708	209.351	KLRWBOCTBVFSAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016766
CC(c1sc2c(n1)CCC2C(C)C)C	SCHEMBL798737,PC-id_66803977	209.351	BYWOLMMLNFJSSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016767
CCCc1nc2c(s1)C(CC2C)(C)C	EMOLS-id_114694023	209.351	GLGOGHMZNCNIGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016768
CC(CC(c1sc2c(c1)CCC2)N)C	EMOLS-id_266339380,PC-id_115782091	209.351	AWPWPXWQWOLRMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016769
CCC(C(c1sc2c(c1)CCC2)N)C	PC-id_105017312,EMOLS-id_266339148	209.351	CBWNJLXWDUIOGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016770
CCCC(c1sc2c(c1)CCC2)NC	PC-id_114981807	209.351	NJQZFOLTHRMHNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016771
CCCCC(c1sc2c(c1)CCC2)N	PC-id_115832653	209.351	DNBHGGALLBKSMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016772
CC(C)(CCN)c1cc2CCCc2s1	EMOLS-id_313851837,MCULE-7161262307	209.351	ZSBBUFXBRPAELG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016773
CC(C)(CN)Cc1cc2CCCc2s1	MCULE-2823889422,EMOLS-id_313838517	209.351	DOMFMTXQJGVKSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016774
CCCCNCc1sc2c(c1)CCC2	PC-id_60984564,EMOLS-id_37993671	209.351	NXMJBCYFPHEMMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016775
CCC(N1Cc2c(C1)c(sc2C)C)C	PC-id_122375114	209.351	DAZQHWDNVKLPAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016776
CCC(NC1CCc2c1scc2)(C)C	EMOLS-id_266339150	209.351	INFHHFQCDCYZKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016777
CC(C(NC1CCc2c1scc2)C)C	EMOLS-id_266339442	209.351	FFHZLBINWVPCHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016778
CC(CNC1CCc2c1scc2)(C)C	EMOLS-id_266339452	209.351	QPFICSJKHYJNBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016779
CCCNCc1csc2c1C(C)CC2	PC-id_114748883	209.351	CPAKRTNXNRGURO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016780
CC(CNCc1sc2c(c1)CCC2)C	EMOLS-id_37993599,PC-id_60985339	209.351	MNAHSERNCFOTIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016781
CCC(NCc1sc2c(c1)CCC2)C	EMOLS-id_38031318,PC-id_61023518	209.351	XVTFZDNYDPPKMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016782
CCCNC(c1sc2c(c1)CCC2)C	PC-id_115704295	209.351	ISYHLQFYUKCVAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016783
CC(C)(N)CCc1cc2CCCc2s1	EMOLS-id_313837493,MCULE-2718921481	209.351	OBRYKOKCKVNXMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016784
CC(NCc1csc2c1C(C)CC2)C	PC-id_114748955,EMOLS-id_107773285	209.351	IGYIKANXMIPPCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016785
CCNCc1csc2c1C(C)(C)CC2	PC-id_114748787,EMOLS-id_266339034	209.351	YLCQLCKBBIBXFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016786
CCNCc1csc2c1C(CC)CC2	PC-id_114748806	209.351	VUSVOLUSXBODSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016787
CC(NCc1sc2c(c1)CCC2)(C)C	EMOLS-id_37993509,PC-id_60985707	209.351	AZQWDFSHBKVRNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016788
CCNC(c1sc2c(c1)CCC2)CC	PC-id_114980071	209.351	QCVKHEWYLBFQGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016789
CC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115705472,EMOLS-id_266339378	209.351	ZAMMNIGBHANZKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016790
CNC1C(C)Cc2c1cc(s2)C(C)C	PC-id_112716425	209.351	NQYWBRWWJZRNSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016791
CNC1C(C)Cc2c1sc(c2)C(C)C	PC-id_112716423	209.351	TYMQKEOPYFRZGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016792
CNCC1C(C)Cc2c1cc(s2)CC	PC-id_112716413	209.351	UZRWVUHAXZWOMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016793
CNCC1C(C)Cc2c1sc(c2)CC	PC-id_112716411	209.351	QEQFNQUNVVBTKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016794
CNCc1csc2c1C(C)CC2(C)C	EMOLS-id_266338874,PC-id_106664690	209.351	AZIGBFXURAVTRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016795
CNC(c1sc2c(c1)CCC2)C(C)C	EMOLS-id_266339004,PC-id_114978171	209.351	IKMVOAKMKQMTGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016796
CNC(C)(C)Cc1cc2CCCc2s1	MCULE-1915497218,EMOLS-id_313989063	209.351	OTEDLPRSWNPCSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016797
NCC1C(C)Cc2c1cc(s2)C(C)C	PC-id_112716419	209.351	ARAFGISCELJADJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016798
NCC(C1CCc2c1cc(s2)CC)C	PC-id_112716397	209.351	DSWRCAWYSMLMKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016799
NCC(C1CCc2c1sc(c2)CC)C	PC-id_112716396	209.351	URMPSMOUMXQZKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016800
NCCC1C(C)Cc2c1cc(s2)CC	PC-id_112716404	209.351	LHYBNEIFWXPUTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016801
NCCC1C(C)Cc2c1sc(c2)CC	PC-id_112716402	209.351	CMUFNBDXTWIUPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016802
NC(C(C)(C)C)c1sc2c(c1)CCC2	PC-id_115854221,EMOLS-id_266339458	209.351	XGGNPTLLUIUULE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016803
s1c2C(CCc2cc1C(C)C)CCN	PC-id_83909424	209.351	OAALQGBUFZEMHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016804
s1c2C(CCc2cc1C(C)C)CNC	PC-id_83909429	209.351	VOLXRCYARCEWOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016805
s1c2c(C(CC2)CCN)cc1C(C)C	PC-id_83909426	209.351	QSGJFFUBWQABRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016806
s1c2c(C(CC2)C(N)C)cc1C(C)C	PC-id_83909427	209.351	UJJQKWANDYVTGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016807
s1c2c(C(CC2)CNC)cc1C(C)C	PC-id_83909431	209.351	PWVAEVYZLUSCEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016808
s1c2c(C(NC)(CC2)C)c(C(C)C)c1	PC-id_82612239	209.351	PRNIDTDISFINLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016809
s1c2C(CN)C(C)Cc2cc1C(C)C	PC-id_112716417,MCULE-3545140886	209.351	GVYNYWHPKAUZEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016810
ClC1NS(=O)(=O)c2c1csc2	PC-id_21962722,SCHEMBL5945929	209.674	MBKGSZXCYPYNFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016811
c12C(C)CCc1n(nc2Cl)CCC#N	EMOLS-id_330977022,MCULE-7258218677	209.675	CRTCBYJHRMDUKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016812
c12C(C)CCc1nn(CCC#N)c2Cl	EMOLS-id_330963376,MCULE-8266210125	209.675	VFXURXDYEWSFMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016813
ClC(=CC#N)c1sc2CCCc2c1	PC-id_43155463,EMOLS-id_37540491	209.695	GHSYVAOKXIDDTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016814
C1CC2=C(C1)SC(=N2)C(=O)CC(=O)[O-]	PC-id_153942210	210.023	HKGWJPCYGJJXKP-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-016815
CC(=O)C1=C2CN(CC2=CS1)C(=O)[O-]	PC-id_154493519	210.023	ZMXWLAOFYZCCHI-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-016816
CCC1=C(SC2=C1C(=O)OC2=O)CC	PC-id_163831445	210.035	ODYRAUNFIBLVNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016817
C1C2=C(CN1C(=O)[O-])N(N=C2N)C(=O)[O-]	PC-id_152765414	210.04	DBTZGGSXYAXUDJ-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-016818
CCNC(=O)C1=C(C=C2N1CC=C2)Cl	PC-id_155278717	210.056	CAKWEBGRIZYVHE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-016819
CC1=C2CCCC2=C(S1)[Si](C)(C)C	PC-id_161642707	210.09	MFOWCSNNBHGJBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016820
CC1=Nn2c(nc(n2)C)C1(C)C(C)S	PC-id_163674256	210.094	JFGPMOMJPGYNBP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016821
CC(C)(C)OC(=O)N1CNC2=COC=C21	PC-id_154280736	210.1	RUDSEQJKYWJJHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016822
CCOC(=O)C1=C2N(C(CO2)(C)C)N=C1	PC-id_165370443,EMOLS-id_337731737	210.1	LSBVUEWRFZRMFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016823
CO[C@@H]1CC2=C(C(=CN2C1)C(=O)N)OC	PC-id_147264088	210.1	CPDJTHFXBQHSTC-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016824
B(c1cc2c(s1)CC(C2)CCC)(O)O	PC-id_89840314,SCHEMBL15305083	210.101	ZHXOHOKMLVOSEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016825
o1nc(c2c1C(=O)N(C2=O)C)CC(=O)O	PC-id_83670661	210.144	DRESBCSHMMTZSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016826
O=C1NCn2nc(c([N+](=O)[O-])c12)C(=O)C	PC-id_20744126	210.147	MOKKQTWFVHXWEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016827
COCc1oc(c2c1C(=O)CC2)C(=O)O	PC-id_96590815	210.183	JVUMQZGNUHNMAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016828
CC(=O)OC1OCc2n1c(nc2)C(=O)C	PC-id_71141593,SCHEMBL14327187	210.187	BAACFSFZRAQOGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016829
O(C(=O)C1Cc2n(C1)cnc2C(=O)O)C	PC-id_82394941	210.187	ZVAFZRORNWJWCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016830
O(C(=O)C1CCn2c1c(nc2)C(=O)O)C	PC-id_82394942	210.187	QUOMVWVZVNIRQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016831
CC(=O)C1(C)N=C(n2n1c(=O)[nH]c2=O)C	PC-id_101636501	210.19	QILRRBXABPPBNY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016832
NC(=O)Cn1nc2c(c1)CN(C2)C(=O)O	SCHEMBL2364148,PC-id_67379807	210.19	BYWIUYGJPYSEHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016833
NC(=O)Cn1ncc2c1CN(C2)C(=O)O	SCHEMBL9899605,PC-id_67957756	210.19	PFXUIELEVIFCRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016834
NC(=O)Nc1nc2n(c1C(=O)O)CCC2	PC-id_34667599,CoCoCo_6206027	210.19	JOXVHVGZYCZRRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016835
O=C(NCc1n2CCCc2nn1)C(=O)O	PC-id_83626496	210.19	WBXHTWQYMKTKOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016836
OC(=O)CNC(=O)N1Cc2c(C1)c[nH]n2	MCULE-6841576005,EMOLS-id_313622112	210.19	JGTSUJFYNGPTNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016837
NCCC1N=Nc2n1nc(c2N)C(=O)O	PC-id_145844612	210.193	RSAPNIBMYSBYLA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016838
O=NN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL18831095	210.21	NDJUZUONBLWHML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016839
S=C1N(C(=O)n2c1ccc2)CC(=O)O	PC-id_14955395	210.21	VLPHJFUSOGWLCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016840
CC1Cc2c(C1(O)CC(=O)O)cc(o2)C	PC-id_112716453	210.226	YBPJPPRYBLTUOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016841
CCc1oc2c(c1)C(C(C2)C)(O)C(=O)O	PC-id_112716459	210.226	AQXIZACLVWLASS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016842
o1c2c(CCC2)c(c1COC)CC(=O)O	PC-id_83610065	210.226	UVDNQLFNKFZOBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016843
o1c2c(C(O)(CC2)CC(=O)O)cc1CC	PC-id_83909519	210.226	UVEIQRQWTOKULD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016844
o1c2c(C(O)(CC2)C(=O)O)cc1C(C)C	PC-id_83909524	210.226	XVJMIHJVDJQSEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016845
o1c2C(O)(CCc2cc1CC)CC(=O)O	PC-id_83909518	210.226	RMKBJDWKEWRDLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016846
o1c2C(O)(CCc2cc1C(C)C)C(=O)O	PC-id_83909522	210.226	HEPADSUZQUXODI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016847
o1c2C(O)(CC(=O)O)C(C)Cc2cc1C	PC-id_112716450,MCULE-5101357845	210.226	FKOLHSNDBSVHOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016848
o1c2C(O)(C(=O)O)C(C)Cc2cc1CC	MCULE-3217811725,PC-id_112716458	210.226	CNWDPNTYUPYYBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016849
o1c(c(c2c1COC2)CC(=O)O)C(C)C	PC-id_84781153	210.226	IGKPRTZAAQSUPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016850
o1c(C(C)(C)C)c(c2c1COC2)C(=O)O	PC-id_84781152	210.226	FYALVXOFDXNASM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016851
O(C1(CCc2occc12)C(=O)O)C(C)C	PC-id_84677589	210.226	WHQZNBOUOHVJAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016852
c12CC(C)C(O)(CC(=O)O)c1c(C)[nH]n2	PC-id_112716465,MCULE-1390807341	210.23	VJTKNQCGHOMDMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016853
c1(C(=O)O)c2OCCn2nc1C(C)(C)C	EMOLS-id_54824118,MCULE-8971224165,ZINC22_225809506,PC-id_119053822	210.23	QRIDVLLHJWGICM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016854
c1(C(=O)O)c(CC(C)C)nn2CCOc12	ZINC22_225809480,MCULE-9323974673,EMOLS-id_54824116,PC-id_119053821	210.23	VXAJLJRFEIECLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016855
CC1Cc2c(C1(O)CC(=O)O)cn(n2)C	PC-id_112716467	210.23	FVYUMLFFOUMVAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016856
CC1Cc2c(C1(O)CC(=O)O)cnn2C	PC-id_112716468	210.23	KXIOPYVTCZUZJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016857
CC1Cc2c(C1(O)C(=O)O)c(nn2C)C	PC-id_112716474	210.23	OGAGLZJZZVHAQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016858
CC1Cc2c(C1(O)C(=O)O)c(n(n2)C)C	PC-id_112716475	210.23	DYNGVVUZKHPELZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016859
CC1CCc2c1c(CO)nn2CC(=O)O	MCULE-3709835747,EMOLS-id_331013363	210.23	FZCZUCMONDFGPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016860
CC1CCc2nn(CC(=O)O)c(CO)c12	MCULE-2684220327,EMOLS-id_330997427	210.23	WDRCTZMYXYILFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016861
CC(Cc1c(nn2c1OCC2)C(=O)O)C	PC-id_105463874	210.23	TZJHNTQUVWCJLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016862
CCC(c1nc2n(c1C)CCO2)C(=O)O	PC-id_112487205	210.23	YWYQMURPUSCNLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016863
CC(C)n1c2c(COC2)c(n1)C(=O)OC	PC-id_90162205,SCHEMBL15723798	210.23	QAVNZQLCSWHLBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016864
CC(C)n1c(c2COCc2n1)C(=O)OC	PC-id_90162204,SCHEMBL15723797	210.23	SEEAUQTUYGGTEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016865
CC(CN1CCc2c1onc2C(=O)O)C	PC-id_96614641	210.23	HPOXLCQWLLVHCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016866
CC(Cn1nc2c(c1C(=O)O)COC2)C	PC-id_105463895	210.23	NTYSWZRHCZDGOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016867
CC(Cn1nc(c2c1COC2)C(=O)O)C	PC-id_105463892	210.23	PUAVJGBRTPTNKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016868
CC(n1nc2c(c1CC(=O)O)COC2)C	PC-id_112711075	210.23	PXFFWYPMMPGYNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016869
CCOc1c(C)n2c(c1[N+](=O)[O-])CCC2	PC-id_102326195	210.23	VVUHBZXCSRGVAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016870
CCOCc1nn2CCCc2c1C(=O)O	EMOLS-id_337770023	210.23	VJACNMDBHCDGFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016871
CC(O)(Cc1n[nH]c2CCCc12)C(=O)O	MCULE-5186380066,EMOLS-id_313878608	210.23	HDTSNRIETKIBHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016872
CCOC(=O)c1c2COC(C)(C)c2[nH]n1	PC-id_136576291,MCULE-8816828110,ZINC22_1535642576,EMOLS-id_313485428	210.23	RKKWUFLSRVMSTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016873
CCOC(=O)c1cc2OC(C)(C)Cn2n1	EMOLS-id_324310627,PC-id_153545588	210.23	WCMZRLIFJGJNJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016874
CCOC(=O)Cn1nc2c(c1O)CCC2	EMOLS-id_41629662	210.23	HDZLILLNNVXFFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016875
COC(Cc1n[nH]c2CCCc12)C(=O)O	EMOLS-id_313880400,MCULE-8799226009	210.23	YYOYFIDAFLFGCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016876
COC(=O)c1c(C)nn2c1OC(C2)(C)C	EMOLS-id_324015236	210.23	SDUSUSQQBYJXQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016877
O=C(N1Cc2c(C1)con2)OC(C)(C)C	PC-id_101879218	210.23	JCOBDUFOQZOVPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016902
COC(=O)C1(N)C(C)Cc2c1c(C)no2	PC-id_112716480	210.23	BKWIHHIPAQZLSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016878
COC(=O)C[C@H](O)c1n[nH]c2CCCc12	MCULE-1087760251,EMOLS-id_313879633	210.23	XRJPRDBKJYEGKA-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016879
COC(=O)C[C@@H](O)c1n[nH]c2CCCc12	MCULE-7863661626,EMOLS-id_313879889	210.23	XRJPRDBKJYEGKA-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016880
COC(=O)CC(O)c1n[nH]c2CCCc12	EMOLS-id_313879377,MCULE-7027508879	210.23	XRJPRDBKJYEGKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016881
COC(=O)Cn1nc2CCC(C)c2c1O	EMOLS-id_331007150,MCULE-3223786686	210.23	CMZLMASINDVSIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016882
COC(=O)Cn1nc(O)c2C(C)CCc12	MCULE-1692038433,EMOLS-id_330959611	210.23	HHNUYIMPSZVDNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016883
COC(=O)C(O)Cc1n[nH]c2CCCc12	EMOLS-id_313878097,MCULE-5652910433	210.23	XJBFEPZHWJMLSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016884
NCC1(CC(=O)O)C(C)Cc2c1cno2	PC-id_112716461	210.23	OBEZPWHVPYKESN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016885
NCC(c1c(C)cn2c1OCC2)C(=O)O	PC-id_112487195	210.23	DQGZUUGPSNKABC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016886
o1c2c(CCC2)c(c1COC)C(=O)NN	PC-id_83610116	210.23	WVUGFBFLQTZZSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016887
O1c2n(nc(C(C)(C)C)c2)C(C1)C(=O)O	PC-id_84734453	210.23	WUQBXVDBNQHGEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016888
O1C(c2c([nH]nc2C(=O)O)C1(C)C)(C)C	PC-id_79928463,EMOLS-id_107504706	210.23	DMWWXLSFMWLLPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016889
o1nc2c(CCC2)c1C(CCN)C(=O)O	PC-id_83858719	210.23	VGNQHEMZURVZTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016890
o1nc(c2C(CCc12)(CC(=O)O)CN)C	PC-id_83909525	210.23	XCZDIVUKNAPXNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016891
o1nc(c2C(N)(CCc12)C(=O)O)C(C)C	PC-id_83909538	210.23	HUJATBMCFLTQGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016892
OC1(c2c([nH]nc2C(C)C)CC1)C(=O)O	PC-id_83909536	210.23	VPJRSMHTHRQWBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016893
OC1c2c(n(nc2C(=O)O)C(C)C)CC1	PC-id_83863522	210.23	FXNPHLBULCKMPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016894
OC1Cc2n(nc(c2C1)C(=O)OCC)C	PC-id_83854577	210.23	OJQXQZCNNXJHCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016895
OC1(CCc2n(nc(c12)C)C)CC(=O)O	PC-id_83909529	210.23	ZYYKZNXZMLDFMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016896
OC1(CCc2nn(c(c12)C)C)CC(=O)O	PC-id_83909530	210.23	KNHTUMZGUIBYPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016897
O=c1n([nH]c2c1CCC2)CC(=O)OCC	PC-id_66022560	210.23	ZGAXHMSHGIRIGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016898
OC(c1[nH]c2CCCc2n1)CCC(=O)O	PC-id_84734470	210.23	MZBGMBDCSVEMRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016899
O(CCn1nc2c(CCC2)c1C(=O)O)C	PC-id_82284033	210.23	WTNAVHSCEABTHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016900
O(CCn1nc(c2c1CCC2)C(=O)O)C	PC-id_82284035	210.23	NRBZPQKJZCTJRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016901
OC(=O)c1c2COCc2nn1C(C)(C)C	PC-id_105463894	210.23	XIUOTSRWRBLASX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016903
OC(=O)c1c2C(O)CCc2nn1C(C)C	PC-id_112711200	210.23	QDQSJFQUYGKPBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016904
OC(=O)C1c2n(c(nc2CC1)COC)C	PC-id_82394907	210.23	BJUYFNBYUFOQDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016905
OC(=O)c1nn(c2c1COC2)C(C)(C)C	PC-id_105463891	210.23	AGDCNUUXYKKJNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016906
OC(=O)Cc1nn(c2c1COC2)C(C)C	PC-id_112711030	210.23	XUTXQJCGXIGLKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016907
OC(=O)C(Cc1cc(n2c1OCC2)C)N	PC-id_112487192	210.23	HDNZUWKHAQXHQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016908
OC(=O)CCCNc1oc2c(n1)CCC2	PC-id_112710258	210.23	PEVNCASQFWULRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016909
OC(=O)CCN(c1oc2c(n1)CCC2)C	PC-id_112710256	210.23	GTIKYMFIOLPPKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016910
OC(=O)CC(Nc1oc2c(n1)CCC2)C	PC-id_112710257	210.23	RHKHQLHNDAKSGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016911
OC(=O)C(N(c1oc2c(n1)CCC2)C)C	PC-id_112710255	210.23	LIJJILZEMTUJIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016912
OC(=O)C(Nc1oc2c(n1)CCC2)(C)C	PC-id_112710259	210.23	DORZWAGHKBGYFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016913
O=C1c2n(CC1=Cc1ccncc1)ccc2	EMOLS-id_300779571,PC-id_16317975,MCULE-8510937985	210.231	CTBLWEKHXRDJBI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-016914
O=C1c2n(C/C/1=C/c1ccncc1)ccc2	PC-id_18532488,CoCoCo_4397252	210.231	CTBLWEKHXRDJBI-FLIBITNWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-016915
O=C1/C(=C/c2ccncc2)/Cn2cccc12	CoCoCo_4397251,ZINC22_13115532	210.231	CTBLWEKHXRDJBI-DHZHZOJOSA-N	00000010100000101000000010000000000000000000000000000000	25-01-016916
c12c(N)cnn1CCN2CC(=O)OCC	EMOLS-id_323989650,MCULE-5201075637	210.233	PBYLRLXVXIOZLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016917
c1(C(=O)NCCOC)[nH]nc2CNCc12	PC-id_97619432,EMOLS-id_323943365,MCULE-2582693565,ZINC22_96516094,EMOLS-id_49188863	210.233	QOTLBIPWTNIAKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016918
CCOC(=O)C1Cc2nnc(CN)n2C1	EMOLS-id_329951476	210.233	MDDHPYQVGNQJJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016919
CCOC(=O)C1N(C)Nc2n1nc(c2)C	PC-id_135999321,SCHEMBL8977906	210.233	XMTLHLPWZVVYST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016920
CCOC(=O)n1nc(c2c1CNC2)NC	PC-id_143531806	210.233	JBKIZHVFXPVSNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016921
CN1CCn2c1nc(c2)CC(C(=O)O)N	PC-id_112487163	210.233	FUGAZBDOHQVTJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016922
CN1CCn2c1nc(c2)C(C(=O)O)CN	PC-id_112487166	210.233	GGSLYKOXAYVPSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016923
CNC(=O)c1nc2c(n1CC)CN(C2)O	SCHEMBL17380099,PC-id_118613843	210.233	YYQICGJBJWQSKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016924
OC(=O)C(Cc1nc(c2n1CCN2)C)N	PC-id_112487164	210.233	RYXNNUCTFBJTNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016925
OC(=O)C(Cc1nnn2c1N(CC2)C)C	PC-id_83885034	210.233	WOPCVFFHUVYEJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016926
OC(=O)CC(c1nnn2c1N(CC2)C)C	PC-id_83885036	210.233	JKVQEIAJMHLFOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016927
OC(=O)CCCc1nnn2c1N(CC2)C	PC-id_83885035	210.233	DBYIWUNUUKDLFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016928
OC(=O)C(N)Cc1nn2c(N(CC2)C)c1	PC-id_82660295	210.233	KCCAZQXAEZDSEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016929
O(C(=O)N1C(c2c(n(nc2N)C)C1)C)C	PC-id_83848785	210.233	OCCOKMKHSJPKIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016930
O(C(=O)N1C(c2c(nn(c2N)C)C1)C)C	PC-id_83848790	210.233	NYVZEDQSLWXZNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016931
O(C(=O)N1C(c2[nH]nc(N)c2C1)(C)C)C	PC-id_83848789	210.233	FAIXQHBDQFXUGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016932
O(C(=O)N1C(c2n(nc(N)c2C1)C)C)C	PC-id_83848786	210.233	ODRDTBKJIQDPNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016933
O(C(=O)N1C(c2nn(c(N)c2C1)C)C)C	PC-id_83848791	210.233	LUDSABSTFBISQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016934
ON1Cc2c(C1)nc(n2C(C)C)C(=O)N	PC-id_118613901,SCHEMBL17380160	210.233	LJPATJVOFQLDAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016935
ON1Cc2c(C1)nc(n2C)C(=O)N(C)C	PC-id_118613896,SCHEMBL17380153	210.233	AVHOJQXOAWBBDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016936
NCCC1N=Nc2n1nc(c2N)OCC	PC-id_145844618	210.236	WQNOUYOEWPZUIV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016937
CCn1nc(c2c1CCC2(C)F)C(=O)C	PC-id_105464083	210.248	MLFPBQMBGNLKGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016938
FC1CCc2c1c(nn2C(C)C)C(=O)C	PC-id_105464085	210.248	OWYBLWRLAFDCJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016939
O=Cc1nn(c2c1C(C)(F)CC2)C(C)C	PC-id_105464084	210.248	XBELPTFCYCFANQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016940
c1(C(=O)O)sc(C(=O)C)c2CCCc12	MCULE-8579847550,SCHEMBL13857914,PC-id_71014109	210.25	IPLGEDFRBCLEJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016941
CCc1sc2c(c1)C(=O)CC2C(=O)O	PC-id_13588845,SCHEMBL10741267	210.25	QHYCNCVALAOFEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016942
CCOC(=O)C1Cc2c(C1=O)scc2	SCHEMBL13575462,PC-id_11052906	210.25	SKODSEJYQGUODT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016943
CCOC(=O)c1sc2c(c1)C(=O)CC2	SCHEMBL9985182,PC-id_58540151	210.25	NTBLRVIORIBDAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016944
O=C1c2cc(sc2CC1(C)C)C(=O)O	PC-id_58540128,SCHEMBL9984694	210.25	DKQZTIWQPHWNJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016945
OC(=O)C1Cc2c(C1)csc2C(=O)C	PC-id_112487151	210.25	KIUNKHHVLXDJHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016946
OC(=O)C(=O)Cc1cc2CCCc2s1	MCULE-2059772760,EMOLS-id_313850815	210.25	LVGPJCVFOPNRCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016947
s1c2c(c(c1CC(=O)O)C)C(=O)CC2	PC-id_82612420	210.25	AFQZFPAFZSBNSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016948
s1c2c(C(CC2=O)CC(=O)OC)cc1	PC-id_21770067	210.25	KHFBTTUXJZNUIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016949
s1c2C(CC(=O)c2cc1)CC(=O)OC	PC-id_21770068	210.25	PVVZVCOCJMXRNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016950
s1c(c2C(CC(=O)c2c1)CC(=O)O)C	PC-id_21770066	210.25	QQIAJJXXNFLJLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016951
CC(CN1C(=O)c2c(C1=O)csc2)N	EMOLS-id_266344720	210.253	BSPLOGBXYYJENX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016952
CNCCN1C(=O)c2c(C1=O)csc2	EMOLS-id_266344602	210.253	SXSFSWVPWJXHJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016953
NCCCN1C(=O)c2c(C1=O)csc2	EMOLS-id_266344298	210.253	KAICVMNETVZAPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016954
NCC(N1C(=O)c2c(C1=O)csc2)C	EMOLS-id_266344724	210.253	YBSOKTJLXOIHBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016955
NC(=O)c1sc2c(c1C(=O)N)CCC2	SCHEMBL6037024,PC-id_69644905	210.253	KXALIVAESUMCTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016956
NC(=O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_40347471,PC-id_64199389	210.253	HUOWEQWBXZFEGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016957
O=CC(Sc1[nH]nc2c1CCC2)C=O	SCHEMBL13404823,PC-id_21019559	210.253	ZTYQONNFZBRFEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016958
O=CNc1sc2c(c1C(=O)N)CCC2	PC-id_139458040,SCHEMBL21322636	210.253	RHEDZTJSPZBZIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016959
OC(=O)CNN=C1CCc2c1scc2	EMOLS-id_107349904	210.253	QLRILWAHFWRRPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016960
s1c2C(=O)N(C(C)(C)C)C(=O)c2nc1	PC-id_15672446	210.253	PDCCQBMGVNAMBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016961
s1c2C(=O)N(C(C)C)C(=O)c2nc1C	PC-id_85635020	210.253	QWZNOPDPFXCZSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016962
s1c2N=C(Cc2nc1C)C(=O)OCC	PC-id_85992738	210.253	XYIGEWYJUPRCPT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-016963
S1Cc2c(onc2C1)NC(=O)C1CC1	PC-id_49720068	210.253	CBZREURBJXBCMA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016964
NC(=S)CC(=O)N1Cc2c(C1)c[nH]n2	MCULE-5753638809	210.256	CNQGYNLUUJABMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016965
O=C(C1CC1)Nc1nnc2n1CCS2	CoCoCo_2590457,MCULE-5311181422,EMOLS-id_16349335,PC-id_22582929	210.256	AUYTYUIUBJRLJT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-016966
p1c2CCCc2nn1CCCCCC	PC-id_23280162	210.256	AFEAHKURFLMRCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016967
S1CCn2c1nnc2NC(=O)/C=C/C	PC-id_44007627	210.256	SBVVWHVLEOIWFT-NSCUHMNNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016968
S1CCn2c1nnc2NC(=O)C=CC	PC-id_74908283	210.256	SBVVWHVLEOIWFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016969
S=C1N=c2n(c(=O)n(c2=N1)CC)CC	PC-id_73729881	210.256	UVTOYJMLDXMXGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016970
CC1CCc2c1c(CO)nn2CCCO	MCULE-7220989931,EMOLS-id_331012084	210.273	BMRGRDQGFNBABS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016971
CC1CCc2nn(CCCO)c(CO)c12	EMOLS-id_330996148,MCULE-2247425539	210.273	GHYPFYLAQGEALA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016972
CC(C1Cn2c(C1C(C)C)noc2=O)C	PC-id_134531860,SCHEMBL20177484	210.273	CLTSCLGDRIMROD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016973
CCC(O)Cn1nc2CCC(C)c2c1O	MCULE-1690122648,EMOLS-id_331008686	210.273	HRQNKTXPNMPOLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016974
CCC(O)Cn1nc(O)c2C(C)CCc12	EMOLS-id_330957052,MCULE-4645623566	210.273	HSHCQEYCZHAMQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016975
CNCc1noc2c1C(C)(C)OC2(C)C	PC-id_80462797,EMOLS-id_313678871	210.273	QAVZARANKVKVSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016976
CNCC(c1cc(c2n1CCC2)OC)O	PC-id_112487122	210.273	ODTBSKFPOWIXSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016977
COCCNCc1noc2c1CCC2C	PC-id_80462626,EMOLS-id_314345712	210.273	OXLKJRBRHOISIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016978
NCC1(O)C(C)Cc2c1c(no2)C(C)C	PC-id_112716485	210.273	RGKXPKAIEHDQMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016979
OC1(CCc2onc(c12)C(C)C)CCN	PC-id_83909549	210.273	MVEXZHVJRGSCAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016980
OCC1(N)C(C)Cc2c1c(no2)C(C)C	PC-id_112716490	210.273	MCFSHFJUPPTFLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016981
n12c(C(=CC1)Cc1cc(N)ccc1)ccc2	SCHEMBL5913294,PC-id_69605273	210.274	FWSGNBHHUSDUOF-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-016982
n12c(C(Cc3cc(N)ccc3)C=C1)ccc2	PC-id_69605270,SCHEMBL5913289	210.274	MIBPHSPMWOAXKI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-016983
Nc1ccc(cc1)CC1=CCn2c1ccc2	PC-id_139947401	210.274	HHTKNPJKCBARHE-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-016984
COCCCC(c1nnc2n1CCC2)N	PC-id_81078918,EMOLS-id_314801825	210.276	JPZCIXHLPSOHFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016985
COC(N1Cc2c(C1(C)C)[nH]nc2N)C	PC-id_118214190,SCHEMBL16882681	210.276	MUVPOUSADQIDRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016986
OCCn1nc2c(c1N)CN(C2)C(C)C	PC-id_105464329	210.276	ARVZADLDRMJBBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016987
OCCn1nc(c2c1CN(C2)C(C)C)N	PC-id_105464331	210.276	QEENRNJZTUTUME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-016988
CC1Cc2c(C1CC(=O)O)cc(s2)C	PC-id_112716493	210.293	WXTJHQIFQWQCEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016989
CC1Cc2c(C1CC(=O)O)sc(c2)C	PC-id_112716492	210.293	GHGPJCANDMOCKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016990
CC1Cc2c(C1)cc(s2)C(C(=O)O)C	PC-id_21317967,SCHEMBL11533851	210.293	FXGZQVBPOMAQPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016991
CC1(Cc2c(C1)sc(c2)C(=O)OC)C	PC-id_134341773,SCHEMBL19965865	210.293	YGYUIFRIYMRYEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016992
Cc1cc2c(s1)C(CC2)CCC(=O)O	PC-id_20213613,SCHEMBL10740226	210.293	JMOBISKUFNZMBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016993
CC1CC(c2c1c(cs2)C(=O)O)(C)C	EMOLS-id_114700028,PC-id_106664684	210.293	SGVXETNHHDJSEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016994
CCC1Cc2c(C1)cc(s2)CC(=O)O	SCHEMBL11529136,PC-id_21317965	210.293	NAWXUIBZJVTDNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016995
CCc1cc2c(s1)CC(C2C(=O)O)C	PC-id_112716502	210.293	HNTTWNSAGOZNSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016996
CCC1CCc2c1c(cs2)C(=O)OC	PC-id_114748212	210.293	IMGBFRPOIMADHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016997
CCc1c(C)sc2c1CCC2C(=O)O	PC-id_70433198,SCHEMBL10747395	210.293	SDHJRAMMISZDKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016998
CC(c1sc(c2c1CCC2)C(=O)C)O	SCHEMBL16683347,PC-id_118048833	210.293	DEWYECCJSNBONP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-016999
CC(Cc1cc2CCCc2s1)C(=O)O	PC-id_82612482,MCULE-2615092870,EMOLS-id_313811906	210.293	YVJRPMVLFDRURM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017000
CC(CC(=O)O)c1cc2CCCc2s1	EMOLS-id_313812162,MCULE-2897439631,PC-id_82612483	210.293	CVUJTSDSHIKAIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017001
CCC(C(=O)O)c1cc2CCCc2s1	EMOLS-id_313851839,MCULE-5735097016	210.293	NQNQDDYAFCUGIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017002
CC(C)(C(=O)O)c1cc2CCCc2s1	MCULE-5278701239,EMOLS-id_313848766	210.293	YXTCFTKKHKXTKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017003
CCOCC(=O)c1sc2c(c1)CCC2	PC-id_115783048	210.293	WOSRJEWIKWXALS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017004
CCOC(=O)C1CCc2c1sc(c2)C	PC-id_13588808,SCHEMBL10747390	210.293	BDUYODWXYFKKTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017005
CCOC(=O)c1csc2c1C(C)CC2	EMOLS-id_107262524,PC-id_114748138	210.293	LOJINBRNHKCTOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017006
CC(OC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_37210293,PC-id_60644060	210.293	DMFGWXHMUYYEBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017007
CCOC(=O)CC1CCc2c1scc2	PC-id_134358162,SCHEMBL19984913	210.293	ZSFJBXBMSZNHOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017008
COC(=O)c1csc2c1C(C)(C)CC2	PC-id_114748197,EMOLS-id_114700031	210.293	ZLFLFKSIGGHSSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017009
OC(=O)C(C1CCc2c1cc(s2)C)C	PC-id_112716494	210.293	OJFOTHJGTLCTMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017010
OC(=O)C(C1C(C)Cc2c1csc2)C	PC-id_112716496	210.293	KQSCSLOUEYGJRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017011
OC(=O)C(C1C(C)Cc2c1scc2)C	PC-id_112716495	210.293	ZLGWDNFXZCCWPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017012
OC(=O)CCCc1cc2CCCc2s1	EMOLS-id_313790667,MCULE-7644693432	210.293	WCFWLJUWBVWMQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017013
s1c2C(CCc2cc1CC)CC(=O)O	PC-id_83909552	210.293	DJBIOVQUZDOKMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017014
s1c2C(CCc2cc1C)C(C)C(=O)O	PC-id_83909555	210.293	HLQQAYKBARHAPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017015
s1c2C(CCc2cc1C(C)C)C(=O)O	PC-id_83909557	210.293	NTVUDNPKUPYXRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017016
s1c2c(CCC2)c(c1CCC(=O)O)C	PC-id_82612481	210.293	RFEMUAAEGDCGNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017017
s1c2CCCc2cc1C(=O)OCCC	PC-id_43389597	210.293	XDJZIKDOLVMLHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017018
s1c2c(C(CC2)CC(=O)O)cc1CC	PC-id_83909553	210.293	IXIAOUPFDCWSNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017019
s1c2c(C(CC2)C(=O)O)cc1C(C)C	PC-id_83909559	210.293	OOGULBDQLKASQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017020
s1c2CC(C)C(C(C(=O)O)C)c2cc1	PC-id_112716497,MCULE-3468804679	210.293	SATKKWAQIWDNOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017021
s1c2C(C(=O)O)C(C)Cc2cc1CC	PC-id_112716500,MCULE-5974780596	210.293	SLFLUNDGMMNAQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017022
c1(C(=O)NCC)c2CCCc2sc1N	EMOLS-id_37577238,PC-id_43367202,MCULE-3094229377	210.296	UMEOHFDKMYPQCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017023
c1(NC(=O)CCC)sc2c(CCC2)n1	EMOLS-id_37277491,PC-id_33039663,MCULE-4683121551	210.296	KTMICYHEJKVCQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017024
c1(sc2c(CCC2)n1)NC(=O)C(C)C	PC-id_51233093,MCULE-8148901728,EMOLS-id_35116367	210.296	RFBCFMOHOJJPKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017025
CC1(C)CCc2sc(N)c(C(=O)N)c12	ZINC22_101352663,EMOLS-id_42566869,PC-id_71820989	210.296	HCPNPSLZEHZZDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017026
CC1(C)OCc2c1nc(s2)NC1CC1	EMOLS-id_107341113	210.296	RZFNEEYKAUNZJV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017027
CCC1CCc2c1c(C(=O)N)c(s2)N	PC-id_116176024,EMOLS-id_114700736	210.296	VUQILKVYIPGPAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017028
CCCC1(CC)C(=O)Nc2c1ncs2	PC-id_142026087	210.296	GJXUKIKBAIRKDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017029
CCC(c1nc2c(s1)C(=O)NC2)(C)C	SCHEMBL19490440	210.296	SEKKYDWZXLBBOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017030
CCC(CC)N1Cc2c(C1=O)ncs2	SCHEMBL15147474,PC-id_89719160	210.296	NPKCNCJAHUESOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017031
CC(C)Cn1nc2CSCc2c1C=O	PC-id_105464394,MCULE-1417774943,EMOLS-id_324395356	210.296	YOFBASSCGNOHNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017032
C=CCNc1sc2c(n1)C(OC2)(C)C	EMOLS-id_266351235	210.296	FPGJGCUKQCAEQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017033
CC(C(=O)c1c(C)nc2n1CCS2)C	PC-id_112713866	210.296	VFVNBECFFWYPML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017034
CC(C(=O)c1nc2n(c1C)CCS2)C	PC-id_112713867	210.296	KRUXJMXKJFWAPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017035
CC(n1nc2c(c1O)CSC2)C1CC1	EMOLS-id_304085253	210.296	DNNWSBNKCNRYNT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017036
CC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102892738	210.296	UHQHHZHIEJLBBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017037
CC(=O)NCCc1nc2CCCc2s1	MCULE-8060265530,PC-id_110459244,EMOLS-id_181135495	210.296	RESKDBXYEISDHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017038
CN(C(=O)c1c(N)sc2c1CCC2)C	EMOLS-id_37577386,PC-id_43174827	210.296	RUXJPIFUKTYBSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017039
CNC(=O)c1c(N)sc2c1C(C)CC2	EMOLS-id_40959152,PC-id_65046377	210.296	PICYWOGNUKCWSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017040
CNC(=O)CNC1CCc2c1scc2	EMOLS-id_266350221	210.296	TWUSNRWKTBACSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017041
N=c1sc2c(n1CC1CCC1)COC2	PC-id_69231135,SCHEMBL4891645	210.296	VQOKNGGATZDUEN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-017042
NCCNC(=O)c1sc2c(c1)CCC2	PC-id_20117386,MCULE-8518575661,EMOLS-id_37378577	210.296	AIZABMCXLSEGKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017043
NCC(=O)NCc1sc2c(c1)CCC2	PC-id_61208772,EMOLS-id_38138781	210.296	SFHSFRGUWNGARI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017044
NC(=O)C(NC1CCc2c1scc2)C	EMOLS-id_266351327	210.296	HJKAGAXLGARTSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017045
NC(=O)CNCc1sc2c(c1)CCC2	PC-id_61206689,EMOLS-id_38138713	210.296	GKKFLAXACDLASY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017046
Oc1c2CSCc2nn1CC1CCC1	MCULE-9737197779,EMOLS-id_263947924	210.296	AMUBDLIWDVFGQH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-017047
Oc1nc2c(s1)CCC2CNC1CC1	EMOLS-id_266348005	210.296	MOKOONAHYBQEBB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017048
O=Cc1c2CSCc2nn1C(C)(C)C	PC-id_105464393	210.296	IUHHVNRAEXQYGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017049
O=Cc1nn(c2c1CSC2)C(C)(C)C	PC-id_105464387	210.296	HUJKNNLNWPTESH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017050
O=Cc1nn(c2c1CSC2)CC(C)C	PC-id_105464389	210.296	OUUCXDXACKRQRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017051
s1c2CCCc2cc1C(=O)NN(C)C	PC-id_9163945	210.296	BGAMOSZUGPXRJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017052
s1c2c(CCC2)c(c1NC(=O)C)CN	PC-id_82508146	210.296	MLTHUCBAMWGSHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017053
s1c2CCC(NC(=O)CCN)c2cc1	PC-id_83626203	210.296	DEEQKLDYDULCDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017054
s1c2CCC(NC(=O)CNC)c2cc1	PC-id_83626205	210.296	BXESYUKLNWNJQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017055
s1c2c(C(N)(CC2)CC(=O)N)cc1C	PC-id_83688749	210.296	VEFNVUWJERFJNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017056
S1c2n(c(c(n2)C(C)(C)C)C=O)CC1	PC-id_82367459	210.296	OGXFILFBKOPSRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017057
s1c(c2CN(Cc2c1)C(=O)C)CCN	PC-id_82612496	210.296	GNLSDKTXPSCODC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017058
S1Cc2[nH]n(C(C3CC3)C)c(=O)c2C1	PC-id_83196995	210.296	AQLUZHPLGANAJP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017059
CCCNC(=S)N1Cc2c(C1)c[nH]n2	MCULE-7997944687	210.299	JZHJMPNLULJJFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017060
CC(NC(=S)N1Cc2c(C1)c[nH]n2)C	MCULE-6390485187,EMOLS-id_114701500	210.299	DTFUNHLOSPHLJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017061
CCSc1nn2c(c1)N=NC2C(C)C	PC-id_67342387,SCHEMBL2271169	210.299	UKQXVRNNGDQDNE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017062
NC1(CC1)CCc1nn2c(n1)SCC2	PC-id_105464421	210.299	UWBUMLPLINDTGP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017063
NC1(CC1)CCc1nnc2n1CCS2	PC-id_105464420	210.299	ISCFWSZEWYIDTO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017064
NN=C(NCc1sc2c(c1)CCC2)N	PC-id_64869041,EMOLS-id_40831148	210.299	CNGBMQSJUFNZJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017065
S1CC(C1)NCc1nnc2n1CCC2	EMOLS-id_266351672	210.299	KFRGBNQAUBGTBR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-017066
[Si](c1oc(c2c1COC2=O)C)(C)(C)C	PC-id_10353071	210.302	UTWAYQVXNVMNKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017067
C[NH+](C[C@]1(C)Cc2c(C1=O)ccs2)C	GD-id_ZINC04934687	210.316	WBSYDCDKHPIOFZ-NSHDSACASA-O	00000010100000000000000010000000000000000000000000000000	25-01-017068
CCc1cc2c(s1)CC(C2(C)O)(C)C	PC-id_91144283	210.336	PWXHAZUYZLFOMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017069
CC(c1sc(c2c1COC2)C(C)C)C	PC-id_145767355	210.336	ALEHPGMIDSPROW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017070
CCCC1(C)Cc2c(C1O)cc(s2)C	PC-id_70658359,SCHEMBL12086601	210.336	DLRYEMXFSZISML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017071
CC(CC(c1sc2c(c1)CCC2)O)C	EMOLS-id_266356019,PC-id_114976188	210.336	PVAJPMHQMIFYJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017072
CCC(C(c1sc2c(c1)CCC2)O)C	PC-id_115823334	210.336	FFTHKUZEMGIIFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017073
CCCCC(c1sc2c(c1)CCC2)O	PC-id_115783224	210.336	XBSUXBNYNMGAOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017074
CC(C)(CO)Cc1cc2CCCc2s1	EMOLS-id_313873992,MCULE-2478533142	210.336	QCLFRIODOZFKNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017075
OC(C(C)(C)C)c1sc2c(c1)CCC2	EMOLS-id_266356277,PC-id_115796425	210.336	IAMCWLOUGLACOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017076
c1([C@H](N)C(C)(C)C)sc2c(CCC2)n1	MCULE-9612842162,PC-id_82673269	210.339	SVCDISYTZIJUJS-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-017077
CC1CCc2c1nc(s2)NC(C)(C)C	PC-id_65046907,EMOLS-id_40959124	210.339	BLNBYQPQTQHJGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017078
CCC1c2c(C(N1C(C)C)C)ncs2	PC-id_91496725	210.339	JTRPKNHVUQEJJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017079
CCC1CCc2c1nc(s2)NC(C)C	EMOLS-id_114702690,PC-id_116175992	210.339	MXLTZCOVDRAPCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017080
CC(c1sc2c(n1)C(CC2)(C)C)(N)C	EMOLS-id_42568823,PC-id_79857661	210.339	WMWBFFPDQMWFMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017081
CC(c1sc2c(n1)CCN2C(C)C)C	PC-id_66803843,SCHEMBL798461	210.339	FUYFXNAQWRWGOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017082
CCC(c1nc2c(s1)CCC2CN)C	EMOLS-id_266354735	210.339	HVKWNQDTSXDXRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017083
CCC(c1sc2c(n1)C(CC2)(C)C)N	EMOLS-id_42568811,PC-id_79857319	210.339	KFZNZIDYDLDASU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017084
CCC(c1sc2c(n1)CCC2)(CC)N	PC-id_61336296,EMOLS-id_38234520	210.339	QVGMIAQFLUAGNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017085
CC(Cc1sc2c(n1)C(CC2)(C)C)N	PC-id_79856289,EMOLS-id_42568895	210.339	YHHOCFHGRBQOQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017086
CC(C(c1sc2c(n1)CCC2)(N)C)C	EMOLS-id_38235566,PC-id_61331485	210.339	ZTDSJTTXNFTXHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017087
CCC(c1sc2c(n1)CCC2)(NC)C	EMOLS-id_38236556,PC-id_61330175	210.339	XSOZAXNCJSHKBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017088
CCC(C)C1c2csnc2C(N1C)C	PC-id_90735646	210.339	OKVNAQMATHWQRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017089
CCCC(c1sc2c(c1)CCC2)NN	PC-id_105282226	210.339	MAUDEDJQMQDJNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017090
CCCC(c1sc2c(n1)CCC2)NC	EMOLS-id_38236602,PC-id_61332546	210.339	AGPUMXVBIPBRPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017091
CC(CC(c1sc2c(n1)CCC2)N)C	PC-id_24261727,EMOLS-id_38235600	210.339	XDPQSGFZJJHRMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017092
CCCC(c1sc2c(n1)CCC2)(N)C	PC-id_61330695,EMOLS-id_38235558	210.339	OUHADRCGGTWULR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017093
CCC(C(c1sc2c(n1)CCC2)N)C	PC-id_61331692,EMOLS-id_38235634	210.339	XMIHRMSFNWLTOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017094
CCCCC(c1sc2c(n1)CCC2)N	EMOLS-id_38235636,PC-id_61331887	210.339	WOQHPAGDSAOEKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017095
CCCCNCc1sc2c(n1)CCC2	PC-id_115887213	210.339	VNYRENYNCVNNNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017096
CC(CNc1nc2c(s1)CCC2C)C	PC-id_65046909,EMOLS-id_40959126	210.339	XQCUXCITZMJLKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017097
CCCNc1sc2c(n1)C(CC2)CC	EMOLS-id_313723140,PC-id_116175991	210.339	UJGCXQGWAAXJNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017098
CCCNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42566847,PC-id_79864103	210.339	UOOCVTGIZVWFDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017099
CC(CNCc1sc2c(n1)CCC2)C	EMOLS-id_39474266,PC-id_62922345	210.339	MDGNMHLSMVCPDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017100
CCC(NCc1sc2c(n1)CCC2)C	PC-id_115887223	210.339	ULXYMKHEAXULRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017101
CCCNC(c1sc2c(n1)CCC2)C	PC-id_61334202,EMOLS-id_38237704	210.339	ZQVSECLFLRVNIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017102
CC(N1Cc2c(C1)nc(s2)C(C)C)C	SCHEMBL17342859,PC-id_118582049	210.339	GLFLRVHEGQFDKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017103
CCNc1nc2c(s1)C(CC2C)(C)C	EMOLS-id_114702723,PC-id_106662904	210.339	JHNBDJLBKNHLPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017104
CC(Nc1sc2c(n1)C(CC2)(C)C)C	PC-id_79864196,EMOLS-id_42566849	210.339	WFXMPKHULNXXCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017105
CC(NCC1CCc2c1nc(s2)C)C	EMOLS-id_266355975	210.339	QWGUUTMGIIRTBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017106
CC(NCC1CCc2c1ncs2)(C)C	EMOLS-id_266356253	210.339	PTLSFODCXSPBDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017107
CC(NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_39152885,PC-id_62544832	210.339	GSORKMQJOHKDJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017108
CCNC(c1sc2c(n1)CCC2)(C)C	PC-id_61332375,EMOLS-id_38237252	210.339	JBYSHUWJTHKYRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017109
CC(NC(c1sc2c(n1)CCC2)C)C	PC-id_61336203,EMOLS-id_38238126	210.339	GVAZMXYNXIKFBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017110
CCNCc1sc2c(n1)C(CC2)(C)C	PC-id_79857322,EMOLS-id_42568867	210.339	OFWWXKCYDWROMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017111
CNCC1CCc2c1nc(s2)C(C)C	PC-id_83885177,EMOLS-id_266353707	210.339	SHGHUJSLYVKLEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017112
CNC(c1sc2c(n1)CCC2)C(C)C	PC-id_61330973,EMOLS-id_38236616	210.339	PBJFXKIOZPYTQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017113
CNCCc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42568887,PC-id_79857884	210.339	SXSZCTZHCAHYEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017114
CNCCNCc1sc2c(c1)CCC2	EMOLS-id_260438113,PC-id_104377146	210.339	YXTAJLXYWZXGCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017115
n1c2CCCc2sc1C(CC)NCC	EMOLS-id_38237272,PC-id_61332215,MCULE-8362186647	210.339	AYWGSYNVWRGARF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017116
n1c2CCCc2sc1[C@@H](CCCC)N	MCULE-2742148244,PC-id_82673268	210.339	WOQHPAGDSAOEKU-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017117
n1c(CCCCCN)sc2CCCc12	MCULE-7961780696,PC-id_82673266	210.339	QAQNBSJBNGBCSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017118
NCC1CCc2c1nc(s2)C(C)(C)C	EMOLS-id_114702702	210.339	YJLBJGLVAKYQAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017119
NCC1CCc2c1nc(s2)CC(C)C	EMOLS-id_266355983,PC-id_84121955	210.339	CGBUUVUSYIKNJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017120
NCC(c1sc2c(n1)C(CC2)(C)C)C	PC-id_79856288,EMOLS-id_42568893	210.339	AOYHUFPEPDOWGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017121
NCCCc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42568891,PC-id_79857994	210.339	OTORORISYDSHIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017122
NC(C(C)C)Cc1sc2c(n1)CCC2	EMOLS-id_313601782,PC-id_82066896	210.339	CWTQBQHYXLROCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017123
NC(C(C)(C)C)c1sc2c(n1)CCC2	EMOLS-id_38234755,PC-id_61337496	210.339	SVCDISYTZIJUJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017124
NCCCNCc1sc2c(c1)CCC2	EMOLS-id_315658295,PC-id_81736934	210.339	RVHYQBZAPHZGPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017125
NC[C@@H](NCc1sc2c(c1)CCC2)C	PC-id_104867526	210.339	TVEQHNYEOBXGJV-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017126
NC[C@H](NCc1sc2c(c1)CCC2)C	PC-id_104867972	210.339	TVEQHNYEOBXGJV-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017127
NCC(NCc1sc2c(c1)CCC2)C	PC-id_104394609,EMOLS-id_313542764	210.339	TVEQHNYEOBXGJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017128
NCCN(Cc1sc2c(c1)CCC2)C	PC-id_104412615,EMOLS-id_313550012	210.339	ZLTKBNPKHWGDSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017129
NNC(c1sc2c(c1)CCC2)C(C)C	EMOLS-id_50840888,PC-id_105281684	210.339	XERFPKNKKDJLHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017130
s1c2C(CCc2nc1C(C)C)CCN	PC-id_83885184	210.339	CLBWMVMEHSSMAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017131
s1c2C(CCc2nc1C(C)C)CNC	PC-id_83885183	210.339	ZJHACGRMWSXRKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017132
s1c2CCCc2nc1[C@@H](N)CC(C)C	PC-id_42078267	210.339	XDPQSGFZJJHRMP-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017133
s1c2CCCc2nc1[C@@H](N)[C@H](CC)C	PC-id_82673260	210.339	XMIHRMSFNWLTOV-XVKPBYJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017134
s1c2c(nc1C(C)C)C(CC2)CCN	PC-id_83885178	210.339	AEMMNNDEGXRWJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017135
s1c2c(nc1CCC)C(CC2)CCN	PC-id_84121954	210.339	OTEXNZTVRCGDGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017136
S1Cc2c(c([nH]c2C1)C(C)(C)C)CN	PC-id_84781334	210.339	FFLPSPBYPGJTGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017137
S1Cc2c(c([nH]c2C1)C(C)C)CCN	PC-id_84781335	210.339	ABQRLAAYUGDPAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017138
Cc1sc(c2c1C[NH+](C2)C(C)(C)C)C	PC-id_122375115	210.359	GSATUMKNRZUJHD-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-017139
CC(c1s[n+](c2c1CCC2)C(C)C)C	PC-id_89458135,SCHEMBL14803312	210.359	PKQXHXSPHPPPBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017140
CC(C)c1[n+](c2c(s1)CCC2)C(C)C	SCHEMBL14803626,PC-id_89458425	210.359	YHZCUZPPQDUWOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017141
CCC([NH+]1Cc2c(C1)c(sc2C)C)C	PC-id_122375113	210.359	DAZQHWDNVKLPAR-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-017142
S=c1sc2c(s1)S[N]S2	PC-id_102433416	210.364	PDJFAHFMRNHOSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017143
O=C1CC(c2c1ccs2)[Si](C)(C)C	PC-id_101740347	210.368	DNNDRQBJBAIOAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017144
s1c2c(C([Si](C)(C)C)CC2=O)cc1	PC-id_86041990	210.368	XRUKORYQNPJVJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017145
c12SCSc1sc(=S)s2	PC-id_5247527,EMOLS-id_6884961,SCHEMBL6709679,ZINC22_2508340,MCULE-8074532196	210.384	NFKGILAHEQYFBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017146
CC1Cc2c(C1NC1CC1)c[nH]c2Cl	PC-id_112716516	210.703	XJUVCBFOVGVZDJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-017147
CC1CCc2c1c(Cl)nn2CC1CC1	EMOLS-id_330977276,MCULE-4752508966	210.703	VZGYARUDRWPYBS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017148
CC1CCc2nn(CC3CC3)c(Cl)c12	EMOLS-id_330959550,MCULE-3441420152	210.703	OOLJFJVSIACVIF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017149
CC(n1nc2c(c1Cl)CCC2)C1CC1	PC-id_66022028,EMOLS-id_41631236	210.703	MBVRAVNQJDLZRW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017150
Clc1n(cc2C(NC3CC3)CCc12)C	PC-id_83909596	210.703	WTICSRHRJJRPQW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-017151
Clc1nn(CC2CCC2)c2CCCc12	MCULE-9737444886,EMOLS-id_324388432	210.703	DGFWDYFKBDTANG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-017152
ClCc1c2CCCc2nn1CC1CC1	PC-id_121214348,EMOLS-id_70118670,MCULE-7082633138	210.703	GRTJVPHUPVSSGG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017153
C1C2=C(C(=CN2CS1)C(=O)[O-])C(=O)[O-]	PC-id_152748929	210.995	BCAJGEUMSUPOSV-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-017154
C1C2=CSC(=C2CN1C(=O)[O-])C=NO	PC-id_154493514	211.018	SIBPUXLXZUBYEC-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-017155
C1CC2=C(C1)SC(=N2)C(=O)CC(=O)O	PC-id_153942211	211.03	HKGWJPCYGJJXKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017156
CC(C1=C2CCCC2=C(S1)C(=O)[O-])O	PC-id_152762527	211.043	HCSZPJFTUGBVKF-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-017157
Brc1cc(C#N)c2CCCn12	MCULE-4160002531,ZINC22_259941466,EMOLS-id_276809002	211.059	FARCNZUUZGRTRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017158
CC(C)S(=O)/N=C
/CCN2C1=NC=C2	PC-id_164646686	211.078	SMVHJUVVAQECGU-FLIBITNWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017159
CCOCNCC1CCC2=C1C=CS2	PC-id_163862256	211.103	PDORSSDXQVDSPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017160
CC1=NC2=C(C1)C=NN2CC3=CC=CC=C3	PC-id_161195628	211.111	UUHLZELACCQFHZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-017161
ClC1C(=c2s[s+]nc2=C1)Cl	PC-id_10014827	211.112	QBADWJGRURTCTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017162
CC1=Nc2n(C1)nc(c2[N+](=O)[O-])[N+](=O)[O-]	EMOLS-id_316215550,MCULE-4498352732	211.135	AGWYICMSENMMHB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017163
C1CC2=C(C1)N(C=C2)CCC3=CC=CC=C3	PC-id_154697991	211.136	KZHNINZUZSMUEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017164
Cn1c2c(cn1)C(N(C2)C(=O)O)C(=O)O	PC-id_91173078	211.175	WCZGXKNCBPAPCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017165
NCC(=O)N1CCc2c1onc2C(=O)O	PC-id_96614009	211.175	RWKYJHQXEMCZPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017166
NC(=O)CN1CCc2c1onc2C(=O)O	PC-id_96614008	211.175	SMJOGUUJRSVCTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017167
OC(=O)CNC(=O)c1cc2n(n1)CCO2	PC-id_119026956	211.175	XEDNSTAPRHYAPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017168
O(C(=O)N1Cc2c([nH]nc2C(=O)O)C1)C	PC-id_83916789	211.175	FNAXMJALGDPEOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017169
OCCC1N=Nc2n1nc(c2N)C(=O)O	PC-id_145844614	211.178	NWQMULSMRCFVSG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017170
OC(=O)CN1C(=O)c2c(C1=O)csc2	EMOLS-id_114706925	211.195	WUOWQVJHVHOHCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017171
OC(=O)CN1C(=O)c2c(C1=O)scc2	SCHEMBL19333903	211.195	HUQXBMWXPXKMLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017172
CCOC(=O)c1cc2c(n1P)CCC2	PC-id_57659819,SCHEMBL12777541	211.197	NTSYTAGZZREYNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017173
CC1CCc2c1c(nn2CC(F)F)C#N	MCULE-5905390067,EMOLS-id_331024896	211.211	ZIABERATIXZYGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017174
CC1CCc2nn(CC(F)F)c(C#N)c12	MCULE-2779107661,EMOLS-id_331007152	211.211	ZUWOKLZQHPGPIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017175
COCc1oc(c2c1C(N)CC2)C(=O)O	PC-id_112481735	211.215	WTVZEFRPLLZVEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017176
o1c2CCCc2nc1C(O)CCC(=O)O	PC-id_84734507	211.215	QXTPVMBOEWBSQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017177
O1C(c2c(onc2C(=O)O)C1(C)C)(C)C	PC-id_80461974,EMOLS-id_107698451	211.215	RXIPHIMQGZGEMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017178
o1nc(c2C(O)(CCc12)C(=O)O)C(C)C	PC-id_83909599	211.215	ZHZRFHLJVLOLBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017179
OC1C(O)Cn2c1c(cc2)COC(=O)C	PC-id_85686273	211.215	LHPDTVIFEFQMNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017180
OC(=O)CC1(O)C(C)Cc2c1c(C)no2	PC-id_112716521	211.215	NDYKAEGKGRUWQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017181
c12CN(Cc1nn(C)c2CO)C(=O)OC	EMOLS-id_324348266,MCULE-3353200052	211.218	MYFASCWXCJBWPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017182
C1COc2cc(nn12)C(=O)NCCCO	PC-id_91959848	211.218	IMKZOLIGDVBLMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017183
Cc1c2n(CCO2)nc1C(=O)NCCO	PC-id_91959949	211.218	KSELPEQBILTXHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017184
Cc1c(CC(C(=O)O)N)nc2n1CCO2	PC-id_112487036	211.218	YJKVWCIIFLSZJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017185
Cc1nc2n(c1CC(C(=O)O)N)CCO2	PC-id_112487037	211.218	BPGKITCSDQGAIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017186
CC(C1CC(c2n1nc(n2)C(=O)O)O)C	SCHEMBL20641097,PC-id_137408316	211.218	UNHLCXWYOPTLKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017187
CC(C1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C	SCHEMBL13433887,PC-id_59212248	211.218	JOWJRWLSEQUMEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017188
CC(C)[C@@H]1C[C@@H](c2nc(nn12)C(=O)O)O	SCHEMBL20641096,PC-id_137408315	211.218	UNHLCXWYOPTLKT-WDSKDSINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017189
CC(C)[C@@H]1C[C@H](c2nc(nn12)C(=O)O)O	SCHEMBL20641159,PC-id_137408367	211.218	UNHLCXWYOPTLKT-NTSWFWBYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017190
CC(CNC(=O)c1nn2CCOc2c1)O	PC-id_91959863	211.218	CPOXGJOBSCYEHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017191
CCOC(=O)c1nc2c(n1C)CN(C2)O	PC-id_118613857,SCHEMBL17380113	211.218	VCYAIBDRCLJFCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017192
CC(=O)OCc1nc2c(n1C)CN(C2)O	PC-id_118614162,SCHEMBL17380427	211.218	QTLDVLHVKVKKOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017193
CN(CCO)C(=O)c1nn2CCOc2c1	PC-id_91959880	211.218	VDNJPURMKZMYDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017194
COCCNC(=O)c1nn2CCOc2c1	PC-id_91959844	211.218	WKTDVYCMVZCENK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017195
COC(=O)C(c1nc2c([nH]1)COC2C)N	PC-id_102970361	211.218	BXSYQFRYBPTWGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017196
COC(=O)[C@H](c1nc2c([nH]1)COC2C)N	PC-id_102970376	211.218	BXSYQFRYBPTWGR-RZKHNPSRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017197
COC(=O)N1Cc2c(N)noc2C1(C)C	EMOLS-id_337798635,PC-id_83848835	211.218	AQCOKKRBXYRNMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017198
NCC(c1nc2n(c1C)CCO2)C(=O)O	PC-id_112487040	211.218	ZQLUFUJALGJIDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017199
NC(C(O)c1n[nH]c2CCCc12)C(=O)O	EMOLS-id_313884250,MCULE-7446029739	211.218	PCGUBUPYQRSULG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017200
O1C(Cn2ncc(c12)C(=O)O)CN(C)C	PC-id_84041068	211.218	QUWXIQHFZYVRPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017201
O1C(Cn2nc(cc12)C(=O)O)CN(C)C	PC-id_84041069	211.218	WZGUBUNULVYNSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017202
o1nc2C(N(Cc2c1N)C(=O)OCC)C	PC-id_83803101	211.218	CXECGPRKEOTYRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017203
o1nc2C(N(Cc2c1N)C(=O)OC)(C)C	PC-id_83848836	211.218	FPLJGADIEAPUKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017204
O=c1[nH]n(c2c1C(N(C2)C(=O)OC)C)C	PC-id_83848841	211.218	CXFILLFPTYROOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017205
O=c1[nH]n(c2C(N(Cc12)C(=O)OC)C)C	PC-id_83848842	211.218	FUYIFXVXGBLRJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017206
OCCN1Cc2c(C1)cn(n2)CC(=O)O	PC-id_144148272	211.218	XWCOJYNWEWJMIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017207
OCCN1Cc2c(nn(c2C(=O)O)C)C1	PC-id_83916796	211.218	CRFOVUXWAIRTDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017208
OCCN1Cc2n(nc(c2C1)C(=O)O)C	PC-id_83916799	211.218	NZNMOIORDAVGGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017209
OCCn1nc2c(c1C(=O)OC)CNC2	PC-id_105464808	211.218	HKZXULDZYYTJCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017210
OCCn1nc2c(c1C(=O)O)CN(C2)C	PC-id_105464804	211.218	HVDFDYZFOHFHRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017211
OCCn1nc(c2c1CN(C2)C)C(=O)O	PC-id_105464806	211.218	LCELQGFOWZLKTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017212
OCCn1nc(c2c1CNC2)C(=O)OC	PC-id_105464809	211.218	CIWDVNXTKDPCBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017213
O(C(=O)N1C(c2[nH][nH]c(=O)c2C1)CC)C	PC-id_83848837	211.218	IUHKEJOXHWRNPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017214
OC(=O)Cc1sc2c(c1)C(=O)CN2C	PC-id_97707554	211.238	YYBKGHJVFJPFGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017239
O(C(=O)N1C(c2[nH][nH]c(=O)c2C1)(C)C)C	PC-id_83848838	211.218	VODFOCWZELIQSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017215
c1ccc(cc1)N=C1c2cccn2C(=O)N1	PC-id_137143115	211.219	UCXDAPWUURAVPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017216
CC(C)C1NNc2c(c(nn12)C(=O)O)N	PC-id_136655161	211.221	OLUOTMNIAVORJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017217
NCC(c1nn2c(n1)N(CC2)C)C(=O)O	PC-id_112487029	211.221	ZVGYQJDDBKQHHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017218
OCCC1N=Nc2n1nc(c2N)OCC	PC-id_145844611	211.221	APJZARNKRCAUOG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017219
[O-][N+](=O)c1c2N(CCn2nc1)CCCN	SCHEMBL2520726,PC-id_67437407	211.221	UAKDQTPXGJHXAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017220
n12N=CC(=Nc3ccc(cc3)C)c1ncn2	PC-id_58621678	211.223	REXVMGFUPVVVOY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-017221
n12N=CC(=Nc3ccc(cc3)C)c1nnc2	PC-id_58621659	211.223	QMEYYEMEBSFFSI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-017222
c1(C(=O)N)c2C(C)CCc2n(CCF)n1	EMOLS-id_331039490,MCULE-8316024734	211.236	XRSHSTBHYLGPQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017223
c1(C(=O)N)c2C(C)CCc2nn1CCF	EMOLS-id_330957249,MCULE-2617150770	211.236	FFTPQNZBKJIZBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017224
c1(C(=O)NC)c2CCCc2nn1CCF	MCULE-5463554736,EMOLS-id_324394320	211.236	XFDYOLQYFDUCJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017225
CCCC(=O)c1nn2CCC(c2n1)(C)F	PC-id_135136210,SCHEMBL20282670	211.236	WNBBIYKJCZCECB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017226
c12c(C(=O)OC1=O)sc(CC(C)C)n2	MCULE-9404485078,PC-id_117528937	211.238	AXWXWXYLXVGQHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017227
CC(CN1C(=O)c2c(C1=O)csc2)O	EMOLS-id_114707897	211.238	VOSWVHPGCNBHNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017228
CC(=O)N1Cc2cc(sc2C1)C(=O)O	EMOLS-id_331217132	211.238	AMLGSDYQFUIRMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017229
COC(=O)C1C/C(=N/O)/c2c1scc2	PC-id_101395282	211.238	UBGFODLBEOIZDD-YFHOEESVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017230
OCCCN1C(=O)c2c(C1=O)csc2	EMOLS-id_266360043	211.238	WZBOMBHEARVGRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017231
O=CCC(=O)n1sc2c(c1=O)CCC2	SCHEMBL9308424,PC-id_19021028	211.238	INCQVICTJBWOLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017232
OC[C@H](N1C(=O)c2c(C1=O)csc2)C	EMOLS-id_266360629	211.238	QXJBXSVVIALAGT-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017233
OC[C@@H](N1C(=O)c2c(C1=O)csc2)C	EMOLS-id_266360673	211.238	QXJBXSVVIALAGT-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017234
OCC(N1C(=O)c2c(C1=O)csc2)C	EMOLS-id_114707746	211.238	QXJBXSVVIALAGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017235
O=CN1Cc2c(C1)cc(s2)C(=O)OC	PC-id_144113593	211.238	FWPIWHZMVDVWGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017236
OC(=O)c1sc2c(n1)C(CC2)C(=O)C	PC-id_57907477,SCHEMBL11983385	211.238	SUDRGLVQWFEDJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017237
OC(=O)Cc1cc2c(s1)C(=O)CN2C	PC-id_97707556	211.238	KMRQNXVQQKPBAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017238
OC(=O)Cc1scc2c1C(=O)CN2C	PC-id_97707553	211.238	XJEHZLMGBFCEOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017240
OC(=O)Cc1scc2c1N(C)CC2=O	PC-id_97707555	211.238	JTBCDSDHYLORBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017241
OC(=O)N1Cc2c(C1)csc2C(=O)C	PC-id_67803575,SCHEMBL9240391	211.238	ZMXWLAOFYZCCHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017242
[O-][N+](=O)CC1CC(=O)c2c1scc2C	SCHEMBL2034222,PC-id_67255399	211.238	LRFMGESCOZAPTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017243
O=s1ccc2c1oc(=O)n2CC1CC1	PC-id_142674397	211.238	GSNXSLJMNAAXCC-UHFFFAOYSA-N	00100011100000000001000010000000000000000000000000000000	25-01-017244
s1c2c(CCC2=O)c(c1N)C(=O)OC	PC-id_83669420	211.238	KKVUMKLUZSXQQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017245
s1c2CCC(NC(=O)C(=O)O)c2cc1	PC-id_83626211	211.238	MUFXEPOJCMUEMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017246
s1c2C(CC(=NO)c2cc1)C(=O)OC	PC-id_11514008	211.238	UBGFODLBEOIZDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017247
s1c2CCN(c2cc1C(=O)O)C(=O)C	PC-id_82394639	211.238	PWRCLZBOMPEOLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017248
s1c(nc2c1C(=O)OC2=O)C(C)(C)C	PC-id_83885380	211.238	NEZRLEJCERSKLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017249
CCn1nc2c(c1C#N)CS(=O)(=O)C2	PC-id_105464896	211.241	YRDKYSOCOBDZEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017250
CCn1nc(c2c1CS(=O)(=O)C2)C#N	PC-id_105464892	211.241	ROFNNNZNVYNQEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017251
O=S(=O)(n1cc2c(n1)CN=C2)C1CC1	PC-id_67378339,SCHEMBL2361023	211.241	GCVPVFGIAWBONC-UHFFFAOYSA-N	00100011100000000001000010000000000000000000000000000000	25-01-017252
s1c2c(nc1C)C(=O)N(N(C)C)C2=O	PC-id_85635037	211.241	KTNGTTLURQVMMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017253
S1CCn2c(c(nc12)C)C=C[N+](=O)[O-]	PC-id_85587993	211.241	JGAHSWVIJBCQPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017254
CCC1c2c(n(c(c2C(O1)CC)O)C)O	PC-id_91181707	211.258	JUNIFSFYRUSCII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017255
O=C1c2c(n(Cc3ccccc3)cc2)CC1	PC-id_58824907,SCHEMBL13145555	211.259	UIFBNBXGARZAMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017256
O=C1Cc2c(C1)n(cc2)Cc1ccccc1	SCHEMBL12951913,PC-id_70805967	211.259	LQXFZGIEUZRWKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017257
O=C1C(Cc2ccccc2)Cc2c1cc[nH]2	PC-id_141214813	211.259	OWJAKBXOYNYXAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017258
O=C1C(Cc2ccccc2)Cn2c1ccc2	PC-id_145924404	211.259	AVQHTRJQKHKRSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017259
O=C(c1ccccc1)c1ccc2n1CCC2	PC-id_71209516,SCHEMBL14577623,MCULE-8525683611,ZINC22_67665129	211.259	DHUITNLXEMJSMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017260
CC(CCc1n2CCCn2c(=O)c1N)O	SCHEMBL16922593,PC-id_118245543	211.261	OADHDWZKSFDVFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017261
C1Cc2nnc(/C=C/c3ccccc3)n2C1	PC-id_101335054,EMOLS-id_324803840	211.262	NTLKVIYLLVWYHL-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017262
n12CCCc1nnc2C=Cc1ccccc1	MCULE-8717340083,PC-id_85962534	211.262	NTLKVIYLLVWYHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017263
CCOc1nn2C(NNc2c1N)C(C)C	PC-id_136657447	211.264	UOSRUYJDTTZDEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017264
c1(CN(C)C)c2CCCc2n(CCF)n1	MCULE-6345772703,EMOLS-id_324390741	211.279	OUCUGVYMUXBXPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017265
CCN1Cc2c(C1)cn(n2)CC(F)(C)C	PC-id_70938159,SCHEMBL13563220	211.279	ATUJCILCATZBOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017266
NCc1nn(c2c1C(C)(F)CC2)C(C)C	PC-id_105465098	211.279	JXZFEKCUPMUSKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017267
c12c(CCC1C(=O)OCC)sc(C)n2	MCULE-1866248318,SCHEMBL1155419,PC-id_91664177,EMOLS-id_42767757	211.281	QHNVVPXKGDMSNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017268
c12cc(sc1CCC2C(=O)OCC)N	EMOLS-id_108763871,MCULE-1261404946,PC-id_122172627	211.281	VDLYSBUSVBBOSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017269
c12CN(Cc1sc(C(=O)O)c2)C(C)C	PC-id_83290505,MCULE-9329565086,EMOLS-id_44671817	211.281	BEGYOGVGUZNINM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017270
c12CN(Cc1sc(C(=O)OCC)c2)C	SCHEMBL5549010,PC-id_13633463,MCULE-6247228242,EMOLS-id_330871109	211.281	HAUQAWFPRXPQTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017271
c1(C(=O)NC)c2CCCc2sc1OC	MCULE-7406723842,EMOLS-id_331061798	211.281	FSDFJGJNTGNXTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017272
c1(C(=O)OCC)c2CCCc2sc1N	LI_129026,CK1056543,NSC99004,STOCK1S-24876,SPECS-id_AT-225/JK21186,ZINC22_35797,SPECS-id_AN-153/I107311,CHEMBL341097,SCHEMBL1976488,SPECS-id_AH-357/03337056,CoCoCo_67052,EMOLS-id_631420,CNP0079963,PC-id_264105,BAS-17324912,SPECS-id_AT-084/J157519,MCULE-8025077087	211.281	BOJXCJDYZJSPMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017273
c1(C(=O)OCC)c(N)c2c(CCC2)s1	PC-id_2769525,MCULE-1780997421,EMOLS-id_43474140	211.281	HDQPYNOOUYAOIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017274
c1(C(=O)OCC)csc2CN(C)Cc12	EMOLS-id_331064870,MCULE-8238777403	211.281	BIYNKRNPWBGJJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017275
CC1Cc2c(C1(N)C(=O)OC)ccs2	PC-id_112716539	211.281	JIZGBUXPSWNTHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017276
CC1(C)CCc2sc(N)c(C(=O)O)c12	EMOLS-id_329924320	211.281	RTZSIPHMSYUCEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017277
Cc1sc2c(c1)C(C(C2)C)(N)C(=O)O	PC-id_112716542	211.281	ZKJGBCOSRVAZCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017278
CC(C1CCc2c1nc(s2)C(=O)O)C	PC-id_58125089,SCHEMBL12862731	211.281	JQWPBNSHUUJFRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017279
CCCc1nc2c(s1)CCC2C(=O)O	PC-id_104287244,EMOLS-id_107677800	211.281	WENZJIMEVBEUMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017280
CCCOc1[n+](CC)cn2c1OC[C@@H]2C	PC-id_145477473	211.281	AYVMAMYBZDJKMJ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-017281
CCN1Cc2cc(C(=O)OC)sc2C1	PC-id_24974691,EMOLS-id_93405634,MCULE-3428986405,ZINC22_197477890	211.281	WINNWRGHTLUFOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017282
CC(=O)c1c(N)sc2c1C(C)(C)OC2	EMOLS-id_266366164	211.281	SFIRPBLROHHSQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017283
CCOC(=O)C1(C)Cc2c(S1)[nH]cc2	SCHEMBL7674572,PC-id_70159666	211.281	VKWUEMWSDNTTPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017284
CCOC(=O)C1(N)Cc2c(C1)csc2	PC-id_67076763,SCHEMBL1561646	211.281	YTLLPMBZIJXODM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017285
CCOC(=O)[C@H]1CCc2sc(C)nc12	PC-id_97302249,ZINC22_95919681	211.281	QHNVVPXKGDMSNM-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017286
CCOC(=O)[C@@H]1CCc2sc(C)nc12	ZINC22_95919680	211.281	QHNVVPXKGDMSNM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017287
CCOC(=O)CN1Cc2c(C1)csc2	SCHEMBL9185967,PC-id_53883730	211.281	HLQFQEZPWWBLMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017288
CN(C(=O)O)CC1CCc2c1ccs2	SCHEMBL12970629,PC-id_70813474	211.281	GGKBPTZPHXMMIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017289
COCCN1C(C)c2c(C1=O)ccs2	SCHEMBL17873714,PC-id_121439693	211.281	NLUSMTDALLMIGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017290
COC(=O)c1c(NC)sc2c1CCC2	PC-id_63091972,EMOLS-id_39587421	211.281	PWMVWOWVCCBDLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017291
COC(=O)c1c(N)sc2c1C(C)CC2	PC-id_65046326,EMOLS-id_40959144	211.281	INYDRYLHNNOWAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017292
COC(=O)C1(N)C(C)Cc2c1scc2	PC-id_112716537	211.281	VSXRGRDLTCKWJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017293
COC(=O)Cc1c(N)sc2c1CCC2	SCHEMBL12085226,PC-id_70657851	211.281	DAJYENOWHACHMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017294
COC(=O)C(N)c1cc2CCCc2s1	MCULE-4293113520,EMOLS-id_313814465	211.281	IJIZEKXHCJSDJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017295
CON(C(=O)c1sc2c(c1)CCC2)C	SCHEMBL15898408,PC-id_60644716	211.281	WROMEZCZHCIUJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017296
NC(Cc1cc2CCCc2s1)C(=O)O	EMOLS-id_313809603,PC-id_82394564,MCULE-5173980114	211.281	TWQWWODLJFTEIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017297
NCC(C(=O)O)c1cc2CCCc2s1	EMOLS-id_313807555,MCULE-4581857449	211.281	HFLRNKVVDBBRPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017298
NC(CC(=O)O)c1cc2CCCc2s1	EMOLS-id_313809347,MCULE-7586781569,PC-id_82612765	211.281	SFTBGKUIULXFSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017299
NC(=O)c1sc2c(c1O)CC(C2)(C)C	PC-id_140571803	211.281	SJXYNFAGVWQMIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017300
O=Cc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_114708898,PC-id_79927430	211.281	ZPQIIPWUAWNCDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017301
OCCNC(=O)c1cc2CCCc2s1	EMOLS-id_2854424,CHEMBL1386135,MCULE-9885375619,PC-id_3868055,ChEMBL-DNDi_CHEMBL1386135	211.281	QDXBGNYSRCNQNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017302
OC(=O)C1CCc2c1nc(s2)C(C)C	EMOLS-id_107568054,PC-id_83885487	211.281	XCVVKBIVSNYVSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017303
OC(=O)C(c1sc2c(n1)CCC2)(C)C	EMOLS-id_114709152	211.281	IGOZSCDYRFECOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017304
OC(=O)Cc1sc2c(n1)C(CC2)(C)C	PC-id_79858000,EMOLS-id_42569105	211.281	QNZMPTARCZBNRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017305
OC(=O)CNCc1sc2c(c1)CCC2	EMOLS-id_38138699,PC-id_61208561	211.281	FFWOFJATFUYOED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017306
OC(=O)NCC1CCc2c1c(C)cs2	PC-id_138585674,SCHEMBL20945299	211.281	LHSPPSXDLMVQCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017307
s1c2C(CCc2cc1)(CC(=O)O)CN	PC-id_83909631	211.281	LJYHRKWJDLALKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017308
s1c2c(CCC2)c(c1C(N)C(=O)O)C	PC-id_82394565	211.281	XUAJIMPYWPUIBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017309
s1c2CCCc2cc1C(=O)NOCC	PC-id_60717849	211.281	RXCWDDARYSWTQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017310
s1c2c(C(CC2)(CC(=O)O)CN)cc1	PC-id_83909633	211.281	LNUBYPJFNXNLLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017311
s1c2C(CCc2nc1C(C)C)C(=O)O	PC-id_83885489	211.281	RENFTWNZLRGHQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017312
s1c2CCC(c2nc1CC)CC(=O)O	PC-id_84122307	211.281	SKAPATYWXNBRJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017313
s1c2CCCc2nc1CC(=O)OCC	PC-id_33785804	211.281	COHLDUVEIDJFPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017314
s1c2C(C(C)C)C(=O)N(OC)c2cc1	PC-id_13814922	211.281	BCIHVHDKSIAFTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017315
s1c2C(CC(NC(=O)C)c2cc1)CO	PC-id_73001240	211.281	BNJGOKQFEOHUHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017316
s1c2C(CN(c2cc1)C(=O)OC)(C)C	PC-id_21300308	211.281	UCQHMEMJCILOFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017317
s1c2c(C(N)(CC2)C(=O)O)cc1CC	PC-id_83909640	211.281	NPAIMFNZSRQJEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017318
s1c2c(C(N)(CC2)C(=O)OC)cc1C	PC-id_83909636	211.281	FTFDQVYSEYOKTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017319
s1c2c(C(NC)(CC2)CC(=O)O)cc1	PC-id_83835044	211.281	PRDDFVCXSGVOOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017320
s1c2[C@@H](C[C@@H](NC(=O)C)c2cc1)CO	PC-id_11543032	211.281	BNJGOKQFEOHUHM-IONNQARKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017321
s1c2[C@H](C[C@@H](NC(=O)C)c2cc1)CO	PC-id_11708301	211.281	BNJGOKQFEOHUHM-VXNVDRBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017322
s1c2C(N)(CCc2cc1CC)C(=O)O	PC-id_83909638	211.281	PWNYXOXTHULFKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017323
s1c2C(N)(CCc2cc1C)C(=O)OC	PC-id_83909635	211.281	VYSCPKWVZOHRJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017324
s1c2C(N)(C(=O)O)C(C)Cc2cc1C	MCULE-8412661951,PC-id_112716541	211.281	SQNCRSYJGHPAJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017325
s1cc2C(CCc2c1)(CC(=O)O)CN	PC-id_83909632	211.281	XAXHNOLBHIVXLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017326
s1cc2CC(C)C(N)(C(=O)OC)c2c1	MCULE-3957861769,PC-id_112716538	211.281	DHKJNIDUFCWEHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017327
s1c(c2CCC(=O)c2c1)C(O)CNC	PC-id_82612780	211.281	QYNKVPDLDBIAJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017328
s1cc2C(CN(c2c1)C(=O)OC)(C)C	PC-id_21300307	211.281	HMBIGRWSWLTPBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017329
S1Cc2c([nH]c(C(C)C)c2C(=O)O)C1	PC-id_84781860	211.281	YYDHTUDUHMWLKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017330
S1Cn2c(C1)cc(c2C)C(=O)OCC	PC-id_15497117	211.281	IEKGOCNTMAZDRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017331
S1Cn2c(C1)c(cc2C)C(=O)OCC	PC-id_15497118	211.281	CWZSXILTZMPFHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017332
S(c1cc2n(CCC2C(=O)OC)c1)C	PC-id_13687496	211.281	WKYQDWGWVKXSJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017333
S(c1n2CCC(c2cc1)C(=O)OC)C	PC-id_13687495	211.281	GDZDAOIIOIUWBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017334
Sc1[nH]c2c(CCC2)c1C(=O)OCC	PC-id_21599359	211.281	ZVCLVSNELWDUEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017335
S=C(N)c1c2CCCc2oc1COC	PC-id_83610060	211.281	SLVCNIPXVWESIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017336
c12CN(Cc1sc(N)c2C(=O)NC)C	EMOLS-id_331065128,MCULE-7925401956	211.284	CPRRNQNFKIGEDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017337
c1(C(=O)NC)sc2CN(Cc2c1N)C	MCULE-7730657515,EMOLS-id_330870854	211.284	ICPYIVDSWWWSGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017338
c1(NC(=O)CC)n(C)nc2CSCc12	MCULE-9243731251,EMOLS-id_334566579	211.284	KVVXIXWPLOJQRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017339
CC(C)n1nc2CSCc2c1C=NO	MCULE-8049739097,EMOLS-id_324400721	211.284	INWABTHENNQLBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017340
CC(C(=O)Nc1sc2c(n1)CCC2)N	PC-id_61511642,EMOLS-id_38357793	211.284	IBCUVGUTJANKPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017341
CCCS(=O)N=C1CCn2c1ncc2	MCULE-7395933538	211.284	MZUDATIVOMCBAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017342
C[C@@H](C(=O)Nc1sc2c(n1)CCC2)N	PC-id_61511786,EMOLS-id_38357799	211.284	IBCUVGUTJANKPE-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017343
C[C@H](C(=O)Nc1sc2c(n1)CCC2)N	PC-id_78973109,EMOLS-id_38419790	211.284	IBCUVGUTJANKPE-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017344
CCNc1c2CCCc2nn1C(=S)O	PC-id_58824832,SCHEMBL13145673	211.284	FWODILLYXYITRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017345
CCNc1nn(c2c1CCC2)C(=S)O	PC-id_58824942,SCHEMBL13145678	211.284	ROFXVRPKARIIIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017346
CCNc1sc(c2c1CCN2C)N=O	PC-id_122233840	211.284	SAMSWOVMOKENHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017347
CCNC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_114709581,PC-id_115573386	211.284	UYIMBYMWWYBFAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017348
CC(=O)N(c1c(C)nc2n1CSC2)C	SCHEMBL14024321,PC-id_59820623	211.284	LLNWALTVYQKUBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017349
CC(=O)N(c1n(C)nc2c1CSC2)C	SCHEMBL14024314,PC-id_59820658	211.284	BBOQWIVRTJPLJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017350
CCS(=O)N=C1CC(n2c1ncc2)C	MCULE-1125437946	211.284	DZRVMFLBQZOMHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017351
CNCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357795,PC-id_61511643	211.284	SIUATIKHDQTOTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017352
CN(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_115581861,EMOLS-id_107272413	211.284	JLRXJIQMROOQAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017353
NCC1CCc2c1nc(s2)CC(=O)N	EMOLS-id_266363326	211.284	CGOGBCBJEVIMRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017354
NCCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357785,PC-id_61512153	211.284	OOAMDKCJJNXBBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017355
NCC(=O)NCc1sc2c(n1)CCC2	PC-id_83623315,EMOLS-id_266363380	211.284	HENMIZMXIQHPLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017356
NC(=O)Cc1[nH]c(=S)n2c1C(C)CC2	PC-id_139293605,SCHEMBL21136086	211.284	CTJJKEBMWOOTOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017357
NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882673	211.284	SXSMJALWLONKHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017358
O=S(C(C)C)N=C1CCn2c1ncc2	MCULE-7428148228	211.284	SMVHJUVVAQECGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017359
s1c2c(CCC2)c(c1NC(=O)N)CN	PC-id_82508312	211.284	KBRMNTIUBFHVEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017360
s1c2CCCc2nc1[C@@H](N)CC(=O)N	PC-id_82673513	211.284	JIVLVEDZBKTRNR-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017361
s1c2CCCc2nc1C(N)CC(=O)N	PC-id_82673512	211.284	JIVLVEDZBKTRNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017362
s1c2c(nc1NC(=O)C(C)C)CNC2	PC-id_82194092	211.284	XOHBWSGYBLEQLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017363
s1c2c(nc1NC(=O)CCC)CNC2	PC-id_82194095	211.284	ZRQCSKVRKZDKQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017364
s1c2CN(Cc2nc1N)C(=O)C(C)C	PC-id_82194202	211.284	MSMXYYADHCKKHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017365
s1c2CN(Cc2nc1N)C(=O)CCC	PC-id_82194206	211.284	BBFBVJSFFZETGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017366
S1c2n(nc(n2)C(CC)CC)C(=O)C1	PC-id_82357921	211.284	XSLJQDHKGCDPER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017367
CCSc1nn2c(c1N)N=NC2CC	PC-id_69732975,SCHEMBL6287226	211.287	FXECFGFWHTVNQU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017368
NCCC1N=Nc2n1nc(c2)SCC	PC-id_145811792	211.287	OLIXYXPLONIRGU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017369
Cc1cc2c(n1Cc1ccccc1)CCC2	PC-id_11579377,SCHEMBL10865148	211.302	OWEFNLLQPOTCBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017370
CN1C(=CC(=N)N)Sc2c1scc2	PC-id_89362795	211.307	HZBJBVIOGSNDDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017371
NC(=N)/C=C/1Sc2c(N1C)scc2	SCHEMBL14539219	211.307	HZBJBVIOGSNDDY-DAXSKMNVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017372
CC1Cc2c(C1(O)CCN)cc(s2)C	PC-id_112716558	211.324	XGTSHVSLSALURV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017373
Cc1cc2c(s1)C(N(C2(C)C)O)(C)C	PC-id_71209529,SCHEMBL14578012	211.324	WWRLQMFZXZODNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017374
CC(C)(CON)c1cc2CCCc2s1	MCULE-4357702774,EMOLS-id_313835958	211.324	JSMAEHIMLYBUMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017375
CC(CNC1CCc2c1scc2)(O)C	EMOLS-id_266371417	211.324	WZMQPXPBHBXLCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017376
CC(CNCc1sc2c(c1)CCC2)O	PC-id_61207790,EMOLS-id_38138671	211.324	JVUHAPANXNMHLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017377
CC(CN)(CO)c1cc2CCCc2s1	EMOLS-id_313838518,MCULE-9193238149	211.324	GZXGFABZAPGXRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017378
C[C@@H](CNCc1sc2c(c1)CCC2)O	PC-id_93628967	211.324	JVUHAPANXNMHLR-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017379
C[C@H](CNCc1sc2c(c1)CCC2)O	PC-id_93628968	211.324	JVUHAPANXNMHLR-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017380
CCNCc1csc2c1C(C)(C)OC2	EMOLS-id_266369871	211.324	FXLRQKZCPBVWRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017381
CC(N)(CO)Cc1cc2CCCc2s1	EMOLS-id_313794508,MCULE-4209098758	211.324	UBBJUNMBXBSFPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017382
CCOCC(c1sc2c(c1)CCC2)N	PC-id_105007875	211.324	VMZXWGMDEBBYQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017383
CN(C)C[C@]1(C)Cc2ccsc2[C@H]1O	CoCoCo_5411701,PC-id_92151529,ZINC22_1615696	211.324	FQCISXOVQQDYON-MNOVXSKESA-N	00000010100000000000000010000000000000000000000000000000	25-01-017384
CN(C)C[C@@]1(C)Cc2ccsc2[C@@H]1O	NSC95247,PC-id_92151532,CoCoCo_5411700,ZINC22_1615699	211.324	FQCISXOVQQDYON-WDEREUQCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017385
CN(C)C[C@@]1(C)Cc2ccsc2[C@H]1O	ZINC22_1615697,CoCoCo_5411702,PC-id_92151530	211.324	FQCISXOVQQDYON-GHMZBOCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017386
CN(C)C[C@]1(C)Cc2ccsc2[C@@H]1O	ZINC22_1615698,PC-id_92151531,CoCoCo_5411703	211.324	FQCISXOVQQDYON-QWRGUYRKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017387
COCc1nc2c(s1)CCC2C(C)C	PC-id_58125085,SCHEMBL12862712	211.324	UHKMCAXQIKRKOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017388
COCC(c1sc2c(c1)CCC2)NC	PC-id_105008681	211.324	BSVJPHUTSUYJIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017389
COC(C)(CN)c1cc2CCCc2s1	EMOLS-id_313792716,MCULE-1413916298	211.324	KHLOPEFGXJFDQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017390
COCCNCc1sc2c(c1)CCC2	EMOLS-id_38138697,PC-id_61208366	211.324	HZGMDUWPJGSIRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017391
NCc1csc2c1C(C)(C)OC2(C)C	PC-id_114748538,EMOLS-id_114710448	211.324	LEWMXKREXMXFQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017392
NCC1(O)C(C)Cc2c1cc(s2)CC	PC-id_112716555	211.324	YCOOUCFNOKSQJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017393
NCC1(O)C(C)Cc2c1sc(c2)CC	PC-id_112716553	211.324	ILEODJZMYCHFPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017394
NCC(C(c1sc2c(c1)CCC2)O)C	EMOLS-id_41072121,PC-id_65190411	211.324	AXSQRWWHLYMYPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017395
OCC1(N)C(C)Cc2c1cc(s2)CC	PC-id_112716563	211.324	IRSNGYLNWZQRGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017396
OCC1(N)C(C)Cc2c1sc(c2)CC	PC-id_112716561	211.324	RMHOOCKMIBYJKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017397
OCCCNCc1sc2c(c1)CCC2	PC-id_61668382,EMOLS-id_38484576	211.324	RLCPUPATLQUNMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017398
OCC(NC1CCc2c1scc2)(C)C	EMOLS-id_266371427	211.324	ZQUKLFGKOXXOCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017399
OCC(NCc1sc2c(c1)CCC2)C	PC-id_104394300,EMOLS-id_313691371	211.324	CEQUVJCYURJVKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017400
OCCN(Cc1sc2c(c1)CCC2)C	PC-id_104412440,EMOLS-id_313695458	211.324	PDVNNOXZSCMEDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017401
OCCNC(c1sc2c(c1)CCC2)C	PC-id_115707434	211.324	RWGOLVAKURCTGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017402
s1c2C(CCN)(O)C(C)Cc2cc1C	MCULE-9201117658,PC-id_112716557	211.324	WQOSQUBKPVHRMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017403
s1c2c(C(N)(CC2)CO)cc1C(C)C	PC-id_83909684	211.324	HFTJRCRBVROIHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017404
s1c2c(C(O)(CC2)CCN)cc1CC	PC-id_83909680	211.324	ZDRAKEUSIDXSLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017405
s1c2c(C(O)(CC2)CN)cc1C(C)C	PC-id_83909676	211.324	HUKOYWOVLKHJST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017406
s1c2c(C(OC(C)C)(CC2)CN)cc1	PC-id_84678652	211.324	NPGGGXNEIBPTMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017407
s1c2C(N)(CCc2cc1C(C)C)CO	PC-id_83909682	211.324	CGNXQPNRFILFMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017408
s1c2C(O)(CCc2cc1C(C)C)CN	PC-id_83909674	211.324	DOXXQLOHHIOXKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017409
s1c2C(O)(CCc2cc1CC)CCN	PC-id_83909678	211.324	QDFWZNFFDPXSLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017410
s1c2C(O)C(Cc2cc1)(CN(C)C)C	PC-id_262055	211.324	FQCISXOVQQDYON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017411
S1Cc2c(c(oc2C1)C(C)(C)C)CN	PC-id_84781921	211.324	RDLYGUGTMXWITE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017412
S1Cc2c(c(oc2C1)C(C)C)CCN	PC-id_84781922	211.324	QDRLKTPBQLNNQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017413
c12CN(Cc1sc(N)n2)CCCCC	MCULE-5449176424,PC-id_82194357	211.327	KPMVBCDPPJMGLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017414
c12CN(Cc1sc(N)n2)CCC(C)C	PC-id_82194310,MCULE-5563701432	211.327	BDQQFDXGMGAIFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017415
c12CSCc1nn(CCC)c2CNC	EMOLS-id_324397661,MCULE-5886153485	211.327	KRMHBBGKYZGSLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017416
c1(CN(C)C)n(CC)nc2CSCc12	EMOLS-id_324395614,MCULE-7472607973	211.327	JDUFVFQBAYBBOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017417
CCC1CCc2c1nc(s2)NN(C)C	EMOLS-id_266373641	211.327	KGKHAORXAXGYDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017418
CC(C)(CS)N1Cc2cn(nc2C1)C	SCHEMBL20192288,PC-id_134545094	211.327	HZKKYENEUUCSSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017419
CC(CN(c1sc2c(n1)CCC2)C)N	PC-id_83835084,EMOLS-id_313741974	211.327	BQQIRBCUQINKRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017420
CC(NCC1CCc2c1nc(s2)N)C	EMOLS-id_266375135	211.327	BKZMTYFTRLJKAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017421
CNCc1c2CSCc2nn1C(C)C	PC-id_112711766	211.327	USTJHDLEQMHPHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017422
CNCC1CCc2c1nc(s2)N(C)C	EMOLS-id_266372613	211.327	GJIIGOGSMFPGPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017423
CNCc1nn(c2c1CSC2)C(C)C	PC-id_112711757	211.327	FZBOOSDTSICWIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017424
CN(Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_266373151	211.327	YAQIXHFVZSMGKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017425
n1c2CSCc2c(CCN)n1C(C)C	PC-id_112711765,MCULE-5665348967	211.327	QTQYYRPPUKZDPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017426
NCc1c2CSCc2nn1C(C)(C)C	PC-id_105465434	211.327	NPMYFYYSUFLVBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017427
NCC1CCc2c1nc(s2)CN(C)C	EMOLS-id_266373157	211.327	ZKUKPTUPPNAYEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017428
NCc1n(CC(C)C)nc2c1CSC2	PC-id_105465435	211.327	BZGGFOQLHAQTCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017429
NCc1nn(c2c1CSC2)C(C)(C)C	PC-id_105465426	211.327	IKHNNIBAANXUCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017430
NCc1nn(c2c1CSC2)CC(C)C	PC-id_105465427	211.327	YJJZMIPPGJOKSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017431
NCCc1nn(c2c1CSC2)C(C)C	PC-id_112711756	211.327	HJMKVWHNZNPQKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017432
NCCNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_114711369	211.327	NOBSGLZYJOAACO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017433
NCC(N(c1sc2c(n1)CCC2)C)C	EMOLS-id_313617060,PC-id_83835085	211.327	PLICCOOLKMASHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017434
s1c2CCCc2nc1N(CCCN)C	PC-id_83835083	211.327	USSWOYKOMJNYPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017435
S1c2n(c(CC(CN)C)c(n2)C)CC1	PC-id_83885563	211.327	JLNMBEYTEAEPIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017436
S1c2n(c(c(n2)C(C)(C)C)CN)CC1	PC-id_82367565	211.327	CBCOMHKOWIHYOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017437
S1c2n(c(c(n2)CC(CN)C)C)CC1	PC-id_83885564	211.327	ANSIJDNZPJYEAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017438
CC([n+]1sc2c(c1)CCN2C(C)C)C	SCHEMBL14803628,PC-id_89458427	211.347	YBANOMKRFVWCHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017439
CC1Cc2c(C1NC1CC1)cc(o2)Cl	PC-id_112716581	211.688	OZWOAXMSGRHBMP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-017440
CC1Cc2c(C1NC1CC1)oc(c2)Cl	PC-id_112716580	211.688	ZOTSZXRPAYEYNC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-017441
CC1Cc2c(C1=O)cn(c2Cl)C(C)C	PC-id_112716586	211.688	OXRWAPBKHUMBFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017442
ClC(=C)CNC1CC(n2c1ncc2)C	EMOLS-id_266377411	211.691	IPFMAXAZTLMCJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017443
CC1=C(C)c2c(C1C)n(C)c([n+]2C)Cl	PC-id_139113901	211.711	JSLJMVZJINXNFE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017444
Clc1c2CCCc2sc1C(C)C#N	PC-id_84782137	211.711	FQIXBMNCWOHPNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017445
Clc1c2CCCc2sc1CCC#N	PC-id_84782138	211.711	URFXREINWKLHBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017446
Clc1cc2c(s1)CCC2NCC#C	PC-id_81251583,EMOLS-id_96680005	211.711	UOOVSXKJOKMMMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017447
O=C1c2c(B)sc(c2C(=O)C1(F)F)B	SCHEMBL13619822	211.789	OMSXJFANKAXFIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017448
C1C2=CSC(=C2CN1C(=O)[O-])C(=O)O	PC-id_154493518	212.002	PKBPLTZEVQLSJN-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-017449
C=C1C(=C(C#N)C#N)C2=C(C1=O)C=CS2	PC-id_148672278	212.004	NPYMQDMGKOMWDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017450
B(C1=C2CN(CC2=CS1)C(=O)[O-])(O)O	PC-id_154493511	212.019	ADURQGVUSMOYKZ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-017451
CC1C2=C(C(=C(O2)CC(=O)O)O)OC1=O	PC-id_154930666	212.032	NXDFTAVRHFTQNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017452
CC(C1=C2CN(CC2=CS1)C(=O)[O-])O	PC-id_161850681	212.039	XYZKNFNMQZTTQQ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-017453
BrC1CCn2nc(cc12)C#N	SCHEMBL15273717,EMOLS-id_324137017,PC-id_89816416	212.047	NHLJHEOPWYJDBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017454
Brc1c(C#N)n2c(CCC2)n1	ZINC22_260928555,MCULE-1100292485,EMOLS-id_311634435	212.047	IQKJEEWLHIPKJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017455
Brc1cnn2CC(Cc12)C#N	EMOLS-id_324138806	212.047	KIIOKZIYCZVNNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017456
Brc1c(nn2CCCc12)C#N	EMOLS-id_324140854	212.047	QPIJEPLQFQAZHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017457
OB(/C=c
/sc2=CC(=O)Sc2c1)O	PC-id_141299011	212.054	UOLHIJPRRCSITQ-ONEGZZNKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017458
COC(=O)CC1C(C(C2=COC=C12)O)O	CNP0155290,PC-id_155897871	212.068	IKRQGQZHSMYUJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017459
C1C(OC2=CC(=NN21)C(=O)O)CCCO	EMOLS-id_337761227,PC-id_150525086	212.08	ICQHGSNLNQNHTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017460
Brc1c2c(n(c1)C)CC(=C2)C	PC-id_68459007,SCHEMBL2963621	212.086	SDXJWTYGYIKMSB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017461
Brc1n(c2CC(=Cc2c1)C)C	PC-id_68462969,SCHEMBL2974650	212.086	RMBFWIZTWAGSBC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017462
CC(C)C1=C2C(=C(S1)C(C)C)OCO2	PC-id_147377610	212.087	DKICMBNFLNCQMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017463
CCOC(=O)CC1=C2C[C@H](CN2C=N1)F	PC-id_153380890,MCULE-5535208029,EMOLS-id_336525938	212.096	BSVMDERYBQYZRH-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017464
FC(c1n[nH]c2c1CCC2(F)F)(F)F	PC-id_145080536	212.12	LDMACKHZOQZOES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017465
CC(CC1=C(C(=O)N2N1C(CC2)N)N)O	PC-id_153739914	212.127	XMKYFKLMDKJKSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017466
O1Cc2c(c(oc2C(=O)OC)OC)C1=O	PC-id_10932750	212.156	KVOHGBYGBBRUKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017467
COC(=O)c1nc2n(c1C(=O)O)CCO2	PC-id_96613359	212.16	RKSFGUFZBODJHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017468
o1nc(c2CN(Cc12)C(=O)OC)C(=O)O	PC-id_83916910	212.16	OGZWWUDZVGHWER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017469
OC(=O)N1Cc2n(nc(N)c2C1)C(=O)O	PC-id_21874044	212.163	DBTZGGSXYAXUDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017470
s1c2c(c(N)c1C(=O)O)C(=O)NC2=O	PC-id_83821071	212.183	SVJZOCNTBYJPGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017471
COC(=O)C[C@@H]1[C@@H](O)[C@H](c2c1coc2)O	NP_64293,UNPD42327	212.199	IKRQGQZHSMYUJJ-DWFIKQFRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017472
CCOC(=O)c1cc2OC(CO)Cn2n1	EMOLS-id_324137776,PC-id_153545607	212.203	LLZXPWGGPNOXFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017473
o1[nH]c2C(N(Cc2c1=O)C(=O)OC)(C)C	PC-id_83848895	212.203	BODBJYTUEROLON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017474
CCNc1n2CCCn2c(=O)c1[N+](=O)[O-]	PC-id_23104223,SCHEMBL2928792	212.206	SNEAGHLPNSMGND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017475
O1C(Cn2c1nc([N+](=O)[O-])c2)(CNC)C	PC-id_69479531	212.206	GHUBPJFZCLWMMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017476
O1C(N(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479534	212.206	JZWMFZGEWRBJLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017477
OCCn1nc(c2c1CN(C2)C(=O)O)N	PC-id_141306291	212.206	YMRLSMYCUNTJGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017478
[O-][N+](=O)c1cn2c(n1)O[C@](C2)(C)CNC	PC-id_141088096	212.206	GHUBPJFZCLWMMK-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017479
c1(C(=O)O)c2C(C)CCc2n(CCF)n1	EMOLS-id_330989561,MCULE-2025113384	212.221	IZCIZIOXWNNQTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017480
c1(C(=O)O)c2C(C)CCc2nn1CCF	MCULE-6032991699,EMOLS-id_330969787	212.221	FCSBEPBCZJGRTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017481
FC1Cc2n(nc(c2C1)C(=O)OCC)C	PC-id_83854578	212.221	XVOOUVAIICFLHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017482
c12ccsc1CC(C(=O)O)C2C(=O)O	MCULE-5411483272,PC-id_13553034	212.222	BLLRLHBNXUVBIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017483
s1c2CC(O)C(=O)c2c(c1C(=O)O)C	PC-id_82612959	212.222	IKPJKYBSXJSEBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017484
s1cc2CC(Cc2c1)(C(=O)O)C(=O)O	PC-id_85708865	212.222	VCYAQIGLWFXERW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017485
C1c2csc(c2CN1C(=O)O)C=NO	SCHEMBL9237175,PC-id_88432199	212.226	SIBPUXLXZUBYEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017486
c1(C(=O)N)sc2CCCc2c1N(=O)=O	MCULE-6088020391,EMOLS-id_330872129	212.226	NQCVKYHAJVVYHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017487
CCOC(=O)c1nc2C(=O)NCc2s1	PC-id_118705134,MCULE-1047662269,EMOLS-id_71008422	212.226	JGCMILWEGAEZEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017488
COC(=O)/C=c/1sc2=NCCn2c1=O	CoCoCo_1783638,ZINC22_13115992,SPECS-id_AN-153/I169904,EMOLS-id_6101432,PC-id_745470	212.226	BANPZFXLXJBWEE-PLNGDYQASA-N	00000011100000000001000010000000000000000000000000000000	25-01-017489
COC(=O)/C=c
/sc2=NCCn2c1=O	EMOLS-id_26273739,STOCK2S-41469,CoCoCo_1783639,ZINC22_187658	212.226	BANPZFXLXJBWEE-SNAWJCMRSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017490
n12CCN=c1sc(=CC(=O)OC)c2=O	PC-id_659674,MCULE-5644291821	212.226	BANPZFXLXJBWEE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017491
O=C1C(C)c2c(N1C)c(ns2)C(=O)O	PC-id_112486892	212.226	GFLPJGQXQOXSKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017492
O=C(C(=O)O)Nc1sc2c(n1)CCC2	PC-id_12831791,EMOLS-id_38357915	212.226	YJVDRCTVIOVSET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017493
O/N=Cc1scc2c1CN(C2)C(=O)O	SCHEMBL9237171	212.226	SIBPUXLXZUBYEC-OQYWKCLKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017494
S1c2n(CC1)c(c(n2)CC(=O)O)C=O	PC-id_82367490	212.226	LXDDYHRNPSKSOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017495
N#CCS(=O)(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_313626479,MCULE-5142372993	212.229	KNRPZCXTSHBQMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017496
ON(C(c1c2[n+]([nH]c1)CCN2)C)C(=O)N	PC-id_82394411	212.229	KVJFLMLOPSFMDQ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-017497
C1(Cn2ncc3C(CCc23)C)CC1(F)F	EMOLS-id_331015914,MCULE-4242177411	212.239	DAGDDXMEXHCWJK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017498
C1(F)(F)CC1Cn1cc2c(CCC2C)n1	MCULE-7911707193,EMOLS-id_331001767	212.239	MREZVMIBDMWLCS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017499
O=C(c1occ2c1CCC2)c1ccccc1	PC-id_102169213	212.244	HVEKUVXGFNNBDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017500
OC1Cc2n(C1)c(=O)n(c2O)CCCC	PC-id_85167103	212.246	UDXNQWUWZNMVDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017501
O[C@@H]1Cc2n(C1)c(=O)n(c2O)CCCC	PC-id_10512718	212.246	UDXNQWUWZNMVDI-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017502
c1ccc(cc1)C=Nc1onc2c1CCC2	PC-id_58664469,SCHEMBL5929494	212.247	VCBVAXKMGZFONU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017503
c1ccc(cc1)/C=Nc1onc2c1CCC2	SCHEMBL5929493	212.247	VCBVAXKMGZFONU-ZROIWOOFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017504
O=C1Cc2c(C1)n(nc2)Cc1ccccc1	PC-id_118578658,SCHEMBL17338762	212.247	JOZSXJFCUQLKAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017505
O=C1CCc2c1cnn2Cc1ccccc1	PC-id_14126723,SCHEMBL9220188	212.247	ZOCRPCXXKKIDIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017506
O=C1C(Cc2ccncc2)Cn2c1ccc2	SCHEMBL10901440,PC-id_23311608	212.247	JPYABWARNXPDHR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-017507
O=C(c1ccccc1)c1cnc2n1CCC2	EMOLS-id_10087207,ZINC22_27526844,CoCoCo_6271746,PC-id_15380540	212.247	FWAIAYNTQGOEFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017508
c1(N(=O)=O)c2CSCc2sc1C#N	EMOLS-id_330873924,MCULE-5825555226	212.249	CHJZTQLURHQXAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017509
CC(CNc1n2CCCn2c(=O)c1N)O	SCHEMBL946041,PC-id_23104192	212.249	FHPPOWYDKHYGKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017510
CNN1Cc2c(C1)cn(n2)C(CO)CO	PC-id_145047476	212.249	PKPAYCUPNKSWQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017511
N#CC(=C)N=CC(=C)c1cnn2c1CCC2	PC-id_139381847	212.25	VRQOJCQUCJFBBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017512
N#CC(=C)/N=C/C(=C)c1cnn2c1CCC2	SCHEMBL21236521	212.25	VRQOJCQUCJFBBF-VGOFMYFVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017513
OCc1nn(c2c1C(C)(F)CC2)C(C)C	PC-id_105465992	212.264	HLRRRRWXHFMXAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017514
c1(C(=O)OC)c2CCCc2sc1OC	EMOLS-id_331059238,MCULE-2622225736	212.265	JYBBFEGUSMTNBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017515
CC1Cc2c(C1(O)CC(=O)O)ccs2	PC-id_112716591	212.265	XYWKDUPXIDODPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017516
Cc1cc2c(s1)C(C(C2)C)(O)C(=O)O	PC-id_112716593	212.265	MBYIHCBDYSJQLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017517
Cc1sc2c(c1)C(C(C2)C)(O)C(=O)O	PC-id_112716594	212.265	ATIUUDYREMOECC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017518
CC(c1sc(c2c1CCC2)C(=O)O)O	PC-id_71014116,SCHEMBL13857949	212.265	HCSZPJFTUGBVKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017519
C=CCOCC1(C)Oc2c(O1)csc2	PC-id_141058650	212.265	LUQGFPCJPSNKGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017520
CCOC(=O)c1csc2c1C(C)OC2	PC-id_114748152	212.265	NGDJPDLBBQFZQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017521
COC(=O)c1sc2c(c1O)CCC2C	PC-id_101623199	212.265	ZADJSRJFKOOPNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017522
COC(=O)C(O)c1cc2CCCc2s1	MCULE-3488209444,EMOLS-id_313808067	212.265	AWAMROWWANXJFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017523
OC1c2cc(sc2CC1(C)C)C(=O)O	PC-id_143997154	212.265	MURHEZIABZHWLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017524
OC(Cc1cc2CCCc2s1)C(=O)O	EMOLS-id_313851070,MCULE-1392535358	212.265	OBEJATUDLIBAQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017525
OC(CC(=O)O)c1cc2CCCc2s1	MCULE-9462297106,EMOLS-id_313837494	212.265	KHGHYQGICTULQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017526
O[C@H](CC(=O)O)c1cc2CCCc2s1	MCULE-4398287193,EMOLS-id_313837238	212.265	KHGHYQGICTULQK-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017527
O[C@@H](CC(=O)O)c1cc2CCCc2s1	MCULE-6828690599,EMOLS-id_313837750	212.265	KHGHYQGICTULQK-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017528
s1c2c(C(O)(CC2)CC(=O)O)cc1C	PC-id_83909748	212.265	MQXRLPMSQRHCPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017529
s1c2c(C(O)(CC2)C(=O)O)cc1CC	PC-id_83909752	212.265	JWVVSICZJXUVNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017530
s1c2c(C(OCC)(CC2)C(=O)O)cc1	PC-id_84679159	212.265	LUXYDEPKYHFZRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017531
s1c2C(O)(CCc2cc1C)CC(=O)O	PC-id_83909747	212.265	ZBEAVVBAMNKSCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017532
s1c2C(O)(CCc2cc1CC)C(=O)O	PC-id_83909750	212.265	XJEYJGGXOYIFAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017533
s1c2C(O)(CC(=O)O)C(C)Cc2cc1	PC-id_112716589,MCULE-1631565039	212.265	RHMAMKKNEXWHOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017534
s1cc2CC(C)C(O)(CC(=O)O)c2c1	MCULE-2250602706,PC-id_112716590	212.265	YRCOFRMSBWPIPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017535
S1Cc2c(oc(C(C)C)c2C(=O)O)C1	PC-id_84782353	212.265	GAOJURUVXOKQPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017536
c12c(CCC1C(=O)OCC)sc(N)n2	EMOLS-id_18190476,MCULE-4223833621,SCHEMBL1155828,PC-id_44116799	212.269	WPXJXXKAEGZYSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017537
c12CN(Cc1sc(N)c2C(=O)OC)C	MCULE-2360062544,EMOLS-id_331066663	212.269	PKTJCINMRQQWTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017538
c12CN(Cc1sc(OC)c2C(=O)N)C	EMOLS-id_331065639,MCULE-5987515079	212.269	MHFSJXUZXRTBEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017539
c1(C(=O)NC)c2CNCc2sc1OC	EMOLS-id_331063596,MCULE-9398053933	212.269	QKZOCUSEQFCTOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017540
c1(C(=O)O)c2CSCc2nn1C(C)C	EMOLS-id_324398681,MCULE-9037669424,PC-id_112711763	212.269	VPDNRDQZBSJEFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017541
c1(C(=O)OCC)c2CNCc2sc1N	MCULE-6064892389,EMOLS-id_331064364	212.269	WIYZJYXBSWZBHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017542
c1(C(=O)OC)sc2CN(Cc2c1N)C	EMOLS-id_330873157,MCULE-9916056995	212.269	JSRKDJSTDVIDQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017543
c1(NC(=O)COC)sc2c(CCC2)n1	MCULE-1264739984,EMOLS-id_37362885,PC-id_4320980	212.269	FTRTZMWXLQMBML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017544
c1(N(=O)=O)c2CCCc2sc1CNC	MCULE-5523260084,EMOLS-id_330872385	212.269	XTFJVXMBOQUREY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017545
CC1(c2c(CN1C)sc(n2)C(=O)O)C	PC-id_90801549	212.269	DSFWYNCLMSRSIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017546
Cc1nc2n(c1CCC(=O)O)CCS2	PC-id_96613158	212.269	DDBWRQBYXPZQPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017547
Cc1nc2n(c1COC(=O)C)CCS2	LI_187418,CoCoCo_5604875,PC-id_433541	212.269	PFMZRBIGHVFMFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017548
CCC1(CCc2c1nc(s2)N)C(=O)O	SCHEMBL16636276,PC-id_118009229	212.269	UBLNTAABDZFOBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017549
CCc1nc2n(c1C(=O)O)CC(S2)C	SCHEMBL19738738	212.269	NJGDECKBKOLGRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017550
CC(C)(C)C1=NS(=O)(=O)c2c1[nH]cc2	PC-id_136048926	212.269	NGVLHXZTEPCZMO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017551
CC(n1nc(c2c1CSC2)C(=O)O)C	PC-id_112711754	212.269	YRTPNCHYIGEEDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017552
CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104287468	212.269	GMVGZBOXRGOTOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017553
CCNC(=O)n1sc2c(c1=O)CCC2	SCHEMBL10740868,PC-id_20159713	212.269	ASLSECUDQQNOEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017554
CCOC(=O)c1c2CCCn2c(=S)[nH]1	SCHEMBL20002162,PC-id_134373591	212.269	OANMUJTVIWWOLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017555
CCOC(=O)[C@@H]1CCc2sc(N)nc12	ZINC22_11920123,PC-id_42281821,CoCoCo_5091164	212.269	WPXJXXKAEGZYSK-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017556
CCOC(=O)[C@H]1CCc2sc(N)nc12	ZINC22_11920124,CoCoCo_5091165,PC-id_42281822	212.269	WPXJXXKAEGZYSK-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017557
CCOC(=O)Cn1ncc2c1CSC2	PC-id_102494788	212.269	CDXMTWSNKDFTIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017558
NC(C(=O)O)Cc1sc2c(n1)CCC2	EMOLS-id_313596717	212.269	ISYUCNONPMTEPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017559
N[C@H](C(=O)O)Cc1sc2c(n1)CCC2	PC-id_82673751,EMOLS-id_313736331	212.269	ISYUCNONPMTEPM-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017560
NC(=O)c1c(N)sc2c1C(C)(C)OC2	EMOLS-id_114717451	212.269	QGTJOPIUSOKFKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017561
OC(=O)C1CCc2c1nc(s2)N(C)C	PC-id_104287262	212.269	ANTTTYRBCLDVMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017562
OC(=O)CN(c1sc2c(n1)CCC2)C	EMOLS-id_313612974,PC-id_83835227	212.269	DULVIRBESOMDCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017563
s1c2CCCc2nc1[C@@H](N)CC(=O)O	PC-id_82673750	212.269	FKOWTPJTEQGWBO-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017564
s1c2CCCc2nc1NC(C)C(=O)O	PC-id_83835228	212.269	QREKRYRWSCXYDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017565
s1c2CCCc2nc1NCCC(=O)O	PC-id_83835229	212.269	IVOBKNBLYGHCTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017566
s1c2CCCc2nc1NC(=O)OCC	PC-id_60682756	212.269	LKJDBZUXRIPSCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017567
S1c2n(CC1)cc(n2)CC(C)C(=O)O	PC-id_83885794	212.269	RRLQUWITAYBUSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017568
S1c2n(CC1)cc(n2)CCCC(=O)O	PC-id_83885795	212.269	BMLLCSDAUSPYQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017569
S1c2n(c(CCCC(=O)O)cn2)CC1	PC-id_83885793	212.269	CZROLFVYIDTMGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017570
S1Cc2c(noc2NC(=O)CCC)C1	PC-id_49719014	212.269	MESFLZMNVRHNHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017571
S1Cc2c(noc2NC(=O)C(C)C)C1	PC-id_49719016	212.269	NEFNMYRJGLHBMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017572
S1C(n2c(C1)c(O)n(c2=O)CC=C)C	PC-id_53795639	212.269	FEWANPCSZQJCNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017573
c1(NC(=O)CCC)nnc2SCCn12	MCULE-2194454523,PC-id_16031308,CoCoCo_2590449,EMOLS-id_16349319,ChEMBL-DNDi_CHEMBLF2079-0003	212.272	GSOAYCAXAZIGHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017574
c1(nnc2SCCn12)NC(=O)C(C)C	MCULE-6738569240,CoCoCo_2590450,ChEMBL-DNDi_CHEMBLF2079-0004,PC-id_16031310,ZINC22_8600491,EMOLS-id_16349321	212.272	YHCPQVNCZBLSMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017575
OC1CN(C1)Sn1nc2c(c1)CNC2	PC-id_144959236	212.272	XIVLOBLBCJBYEL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-017576
OCCC1N=Nc2n1nc(c2)SCC	PC-id_145811791	212.272	IVUMMVKKENIPNK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017577
s1c2CN(Cc2nc1N)CC(=O)NC	PC-id_82194360	212.272	UIXDFXXSMLPQID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017578
s1c2CNCc2nc1NC(=O)N(C)C	PC-id_82194113	212.272	GZPFLARLQYONTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017579
s1c2CN(Cc2nc1N)C(=O)N(C)C	PC-id_82194224	212.272	HAKKFAQTZBUEQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017580
S1c2n(CC1)c(c(n2)C)C/C(=N/O)/N	PC-id_83885798	212.272	BYLXRPNBVQWOKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017581
S1c2n(CC1)c(c(n2)C/C(=N/O)/N)C	PC-id_83885799	212.272	OKUHIGIHMIHWSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017582
c12C(C)CCc1nn(Cc1ccccc1)c2	EMOLS-id_331000995,MCULE-3080593510	212.29	JIFVAWULNKJWRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017583
CC1CCc2c1cnn2Cc1ccccc1	MCULE-5530941384,EMOLS-id_331015142	212.29	IDXWXLGMYABMPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017584
N1(Cc2c(C1)cn(c2)Cc1ccccc1)C	PC-id_12958541	212.29	ZJXHSIJPHTXDQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017585
CCC(C1(CC)Oc2c(O1)csc2)C	PC-id_141058648	212.309	CZAIOMRFWZBBOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017586
CCOCC(c1sc2c(c1)CCC2)O	PC-id_115818656	212.309	WMGVKVYEXDGKCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017587
s1cc2CC(Cc2c1)(COC)COC	PC-id_56599483	212.309	CCUHJGYTTUPEQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017588
c12CN(Cc1sc(OC)c2CNC)C	MCULE-7295060186,EMOLS-id_331065895	212.312	UWDZYLONRUGXBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017589
CC(c1sc2c(n1)C(OC2)(C)C)(N)C	EMOLS-id_266390276	212.312	RLLYRDGRFAROGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017590
CCC(c1sc2c(n1)C(OC2)(C)C)N	EMOLS-id_266388250	212.312	PDWQKVHMGJPCKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017591
CC(Cc1sc2c(n1)C(OC2)(C)C)N	EMOLS-id_266389846	212.312	IOKWBJPZKWPYKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017592
CCCCCC1CCc2n1c(=O)sn2	SCHEMBL6792175,PC-id_23500564	212.312	GMBZPSKKQRIXPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017593
CCCCCC1CCn2c1nsc2=O	PC-id_90747004	212.312	XQMTVKRVJMKYJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017594
CC(CCn1nc2c(c1O)CSC2)C	EMOLS-id_263285584	212.312	SXSBCZGINHBRRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017595
CC(C)(C)n1nc2CSCc2c1CO	EMOLS-id_324395101,MCULE-8543721572	212.312	LJHPSUNNJLTXQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017596
CCC(n1nc2c(c1O)CSC2)CC	EMOLS-id_262986333	212.312	ZESQFDWKONSHBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017597
CCCNc1sc2c(n1)C(OC2)(C)C	EMOLS-id_114718705	212.312	NLYKRLSOVBYLQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017598
CC(CNCc1sc2c(n1)CCC2)O	PC-id_109948513	212.312	ICCGFDMFZIBFHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017599
C[C@@H](CNCc1sc2c(n1)CCC2)O	PC-id_103897237	212.312	ICCGFDMFZIBFHW-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017600
C[C@H](CNCc1sc2c(n1)CCC2)O	PC-id_103897241	212.312	ICCGFDMFZIBFHW-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017601
CC(n1nc2c(c1O)CSC2)C(C)C	EMOLS-id_107654828	212.312	UBHXELDCTGNVFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017602
CC(Nc1sc2c(n1)C(OC2)(C)C)C	EMOLS-id_114718885	212.312	UDQUYPNWWACEAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017603
CC(NCC1CCc2c1nc(s2)O)C	EMOLS-id_107437962	212.312	ZBAJICLFATWFCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017604
CCNCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_266387702	212.312	XHAIHPFXECQWST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017605
CNc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_107419247,PC-id_79915642	212.312	LVEXTYDRMGBADX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017606
CNCCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_107526141	212.312	SVLWGBXUTPQHKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017607
COC(c1nc2c(s1)CCC2CN)C	EMOLS-id_266386872	212.312	VJQFDJKDDXIKMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017608
COCC(c1sc2c(c1)CCC2)NN	PC-id_105321611	212.312	DBPGBYBFSCPNAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017609
COC(C(c1sc2c(n1)CCC2)N)C	EMOLS-id_266386890	212.312	DEIMDVZZSIAVFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017610
COCC(c1sc2c(n1)CCC2)(N)C	EMOLS-id_39145488,PC-id_62536286	212.312	CQIJVLJXNMRLTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017611
COCCNc1nc2c(s1)CCC2C	EMOLS-id_40959130,PC-id_65046962	212.312	JDPZMLMNGKKQFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017612
n1c2CCCc2sc1C(C)NCCO	MCULE-6677699693,PC-id_46784927	212.312	NGQYHCVNWHBCQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017613
n1c(CNCCOC)sc2CCCc12	EMOLS-id_39152959,MCULE-9884518724,PC-id_46784919	212.312	JBVJFPWHAHEBMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017614
NCc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_107321071,PC-id_79917843	212.312	PELKVTUZEVQETQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017615
NCC(c1sc2c(n1)C(OC2)(C)C)C	EMOLS-id_266389968	212.312	HZMONPOJJWXZPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017616
NCCCc1sc2c(n1)C(OC2)(C)C	EMOLS-id_266389364	212.312	WAWYUPGJMDXNSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017617
OCCCNCc1sc2c(n1)CCC2	PC-id_109948516	212.312	WKAAMZORHHPVPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017618
OC[C@H](NCc1sc2c(n1)CCC2)C	PC-id_103896926	212.312	HFHZOTGUVDOCOV-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017619
OC[C@@H](NCc1sc2c(n1)CCC2)C	PC-id_103897184	212.312	HFHZOTGUVDOCOV-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017620
OCCN(Cc1sc2c(n1)CCC2)C	PC-id_109973986	212.312	JFHVHPSQMHABJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017621
OCC(NCc1sc2c(n1)CCC2)C	PC-id_115887738	212.312	HFHZOTGUVDOCOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017622
S1c2n(c(c(n2)C(C)(C)C)CO)CC1	PC-id_82367510	212.312	TZEMBFCZELRSKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017623
S1Cc2[nH]n(CCC(C)C)c(=O)c2C1	PC-id_83195419	212.312	QVRIUGIEGDJFEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017624
S1Cc2[nH]n(C(CC)CC)c(=O)c2C1	PC-id_83196888	212.312	OUMYGIGKMUSBTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017625
c12CN(Cc1sc(N)n2)CCN(C)C	PC-id_82194364,MCULE-3465032836	212.315	ZUEFKLIMUHZPAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017626
CCSc1nn2C(NNc2c1)C(C)C	PC-id_136592712	212.315	MIYUCINBGLNKBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017627
CSCCC(c1nnc2n1CCC2)N	PC-id_43142801,EMOLS-id_37528463	212.315	QRVZQUYBZLBFKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017628
s1c2CN(C(CC)CN)Cc2nc1N	PC-id_82508554	212.315	AKJZZQICZDXPGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017629
[Si]1(OC(c2c1c(oc2)OC)(C)C)(C)C	PC-id_5325843	212.318	LXOXFLJOYWKDRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017630
CCCC1(C)Sc2c(C1=O)ccs2	SCHEMBL9652996,PC-id_15728286	212.332	JPEDDTCOYSVOIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017631
CSCC(=O)c1sc2c(c1)CCC2	EMOLS-id_40320907,PC-id_64166472	212.332	ISAXVRYYNNOZKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017632
O=c1sc2c(s1)CC(=C2)C(C)(C)C	PC-id_101356388	212.332	OJPRQHHITFFFIJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017633
s1c(c2CCCc2c1SC)C(=O)C	PC-id_82394329	212.332	ZFHAOAROVAKBPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017634
C[C]1c2c([C](S1)C(C)(C)C)nsn2	SCHEMBL20080933,PC-id_134445565	212.335	DOTPXMJGQDQBDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017635
[S]1(c2c(c(sc2C=C1)CNC)C)C	PC-id_57440859	212.355	XNIVCOQNAWBQJB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017636
CC[Si]1(c2c(C(O1)C)scc2)CC	PC-id_134944253	212.384	OJZSHISHTFYNKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017637
CC[Si]1(CC)OC(c2c1scc2)C	PC-id_140793712	212.384	NWZACRHYZMLNSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017638
ClC(=O)c1c2CCCc2oc1C(C)C	PC-id_83610340	212.673	LUBSKTBHQIIAKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017639
ClC(=O)c1c2CCCc2oc1CCC	PC-id_83610412	212.673	LJUPDAFZZZEHAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017640
ClC(=O)Cc1c2CCCc2oc1CC	PC-id_83610269	212.673	GJTRDRJVNPRHSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017641
ClC=CC(=O)c1sc2c(c1)CCC2	MCULE-9504129229	212.696	HPCSIULXMJMTEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017642
ClCc1c2c(oc1C(C)(C)C)CCC2	PC-id_83610503	212.716	POZCRZMLPAQWKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017643
c12CCC(C)c1c(nn2C(C)CC)Cl	EMOLS-id_330974719,MCULE-3213631924	212.719	ROFJORHYCJLDJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017644
c12CCC(C)c1c(nn2C(C)C)CCl	MCULE-7934105911,EMOLS-id_331028229	212.719	GWYSMBRHCCLSSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017645
c12C(C)CCc1n(nc2Cl)CC(C)C	EMOLS-id_330977020,MCULE-1367047914	212.719	HRCILUGOFFSTFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017646
c1(CCl)c2C(C)CCc2nn1C(C)C	MCULE-4849334657,EMOLS-id_331013556	212.719	MXNPAIUQCJXXOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017647
c1(Cl)c2C(C)CCc2nn1C(C)(C)C	MCULE-3045820514,EMOLS-id_330962608	212.719	YJVBPZWYFLSKGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017648
c1(Cl)c2C(C)CCc2nn1C(C)CC	MCULE-3778888270,EMOLS-id_330956983	212.719	JBHSNBADBQFABS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017649
CC1Cc2c(C1CCN)cn(c2Cl)C	PC-id_112716599	212.719	NDQUUKUTRNHPPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017650
CC1Cc2c(C1N)cn(c2Cl)C(C)C	PC-id_112716611	212.719	FKFNPTGVNNRMAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017651
CC1CCc2c1c(Cl)nn2C(C)(C)C	EMOLS-id_330976254,MCULE-4191029406	212.719	ZPUVXOIPHISAGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017652
CC(C1C(C)Cc2c1cn(c2Cl)C)N	PC-id_112716601	212.719	DVUKFOWAFJZIGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017653
CC(CCn1nc2c(c1Cl)CCC2)C	EMOLS-id_41631284,PC-id_66020169	212.719	NBBMXFLBHDGECS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017654
CC(C)Cn1nc2CCC(C)c2c1Cl	MCULE-4567410735,EMOLS-id_330959294	212.719	ZAJGTHIQMWJXDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017655
CCC(n1nc2c(c1Cl)CCC2)CC	PC-id_66020783,EMOLS-id_41631188	212.719	CCENUJRFOASDFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017656
CCCn1nc2CCC(C)c2c1CCl	MCULE-2390892833,EMOLS-id_331010997	212.719	COKAAVJZJVJZSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017657
CCCn1nc(CCl)c2C(C)CCc12	MCULE-2872606349,EMOLS-id_331029765	212.719	UEETUQUOVRGVHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017658
CC(n1nc2c(c1Cl)CCC2)C(C)C	EMOLS-id_114723718	212.719	IAVSUMHOSGAINW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017659
Clc1n(cc2C(CCc12)CN)C(C)C	PC-id_83909815	212.719	HLTMHQSFPFEUIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017660
Clc1n(cc2C(NC)CCc12)C(C)C	PC-id_83909816	212.719	GSLRJBFTZUPPKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017661
Clc1n(nc2c1C(CC2)CCCC)C	PC-id_86033385	212.719	YLIWZKZWBYCPDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017662
CNCC1C(C)Cc2c1cn(c2Cl)C	PC-id_112716604	212.719	MYSOCAKGDXFJIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017663
NCC(C1CCc2c1cn(c2Cl)C)C	PC-id_112716597	212.719	KJUMNQHOXBJPAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017664
NCC(C1C(C)Cc2c1c[nH]c2Cl)C	PC-id_112716596	212.719	XRSPUAFNEJHGPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017665
C1C2=C(C(=CN2CS1)C(=O)O)C(=O)O	PC-id_152748930	213.01	BCAJGEUMSUPOSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017666
OC(=O)N1Cc2c(C1)c(sc2)B(O)O	SCHEMBL9235888,PC-id_67802223	213.019	ADURQGVUSMOYKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017667
C1Cn2c(c(c(n2)Br)C#N)N1	PC-id_137225154	213.035	FCTZJMWMRSKXMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017668
C1Cn2c(c(c(n2)C#N)Br)N1	PC-id_137185917	213.035	SKNDZOIXSZCJQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017669
C1CN2C=CC=C2C1C(=O)OCCCl	PC-id_165355568	213.056	MSBGLZASUFSIBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017670
CC1(C(=NO)N2C(=CN=C2S1)OC)C	PC-id_88704128,PC-id_152752547	213.057	SSPWYCSDJMSFQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017671
CNC(=O)C1=C(C(=C2N1CCC2)N)Cl	PC-id_155278667	213.067	GOQVVDAYZOWBRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017672
Brc1c2C(=CCc2oc1)CC	PC-id_68459503,SCHEMBL2965003	213.071	MAIFDFKJRCKBCX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017673
Brc1c2c(oc1)CC(=C2)CC	SCHEMBL2972542,PC-id_68462200	213.071	BOQFZGIRJZTQGV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017674
Brc1c2c(oc1)C(CC)C=C2	PC-id_68463007,SCHEMBL2974782	213.071	TXEBLTSLJBVBLN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017675
Brc1oc2CC(=Cc2c1)CC	SCHEMBL2963341,PC-id_68458913	213.071	KMQHJMSSHPYWJU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017676
Brc1oc2c(C(=CC2)CC)c1	SCHEMBL2974173,PC-id_68462791	213.071	QEBFUYHAFYPPNX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017677
Brc1oc2C(CC)C=Cc2c1	PC-id_68463036,SCHEMBL2974840	213.071	OFFCCQXSGUYONB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017678
Brc1oc(c2CC=Cc12)CC	PC-id_68461710,SCHEMBL2971280	213.071	UISWHIMCSDUPFH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017679
[se]1c2CC(=Nc2cc1)C(=O)[O-]	PC-id_58507531	213.072	HRYJTEODSLLHTA-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-017680
Brc1nn(c2CC=Cc12)CC	PC-id_68459348,SCHEMBL2964614	213.074	RHJVZYCSKBUDSS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017681
COC[C@@H]1Cn2c(c(cn2)C[N+](=O)[O-])O1	PC-id_163534171	213.075	MBUNRYLMOXVION-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017682
C1(c2c(c(c(n2C(=C1F)F)F)F)F)F	SCHEMBL10853769,PC-id_88678459	213.08	LNVYZMQKWHMLFQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017683
FC1n2c(C(=C1F)F)c(F)c(F)c2F	PC-id_23320225	213.08	BSVMLMNMFYEMTQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017684
C1Cn2c(c(cn2)C(=O)c2ccccc2)N1	PC-id_164067727	213.09	WMJMXBOTNLYTCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017685
Cc1cc2c([se]1)C(=C)C(=O)O2	PC-id_144622542	213.092	DPEWJGQCFYRTIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017686
C1CC2=C(C1)N(N=C2N)CC3=CC=CC=C3	PC-id_155238895	213.127	UGZBUUNTYGURHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017687
c1(N(=O)=O)nc2OC(C)(C(=O)O)Cn2c1	EMOLS-id_316169327,PC-id_84041222,MCULE-2750514560	213.148	DWAPBHOOGGSRGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017688
O1C(Cn2nc(nc12)[N+](=O)[O-])(C)C(=O)N	PC-id_12756594	213.151	MNJUUTNSPPAEIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017689
CC[C@]1(CO)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_93505498	213.191	WMQJXDFLVBYFKE-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017690
CC[C@@]1(CO)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_93505499	213.191	WMQJXDFLVBYFKE-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017691
CCC1(CO)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5539108,PC-id_23081317	213.191	WMQJXDFLVBYFKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017692
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCO)C	SCHEMBL5544271,PC-id_23081095	213.191	QTKRRRDNQCWHAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017693
O1C(Cn2c1nc([N+](=O)[O-])c2)(C(O)C)C	SCHEMBL5546580,PC-id_69482493	213.191	PANBHZDKVPJCFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017694
S1C(C(=O)n2c1nc(O)c2)CC(=O)[O-]	PC-id_74684175	213.191	TWEYXEBLUKVSJU-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-017695
S1[C@@H](C(=O)n2c1nc(O)c2)CC(=O)[O-]	PC-id_40453766	213.191	TWEYXEBLUKVSJU-GSVOUGTGSA-M	00000010100000000001000010000000000000000000000000000000	25-01-017696
S1[C@H](C(=O)n2c1nc(O)c2)CC(=O)[O-]	PC-id_40453768	213.191	TWEYXEBLUKVSJU-VKHMYHEASA-M	00000010100000000001000010000000000000000000000000000000	25-01-017697
PN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL12826579,PC-id_68391329	213.193	ILKGGYYBLGEGHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017698
c1cc(ncc1N=C1C=Nn2c1nnc2)N	PC-id_135139262	213.199	MLPYCNSIZGBDNZ-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-017699
Nc1ccc(cn1)/N=C/1C=Nn2c1nnc2	SCHEMBL20285982	213.199	MLPYCNSIZGBDNZ-VGOFMYFVSA-N	00000011100000101001000010000000000000000000000000000000	25-01-017700
c12CN(Cc1nn(CCF)c2)C(=O)OC	MCULE-7783863451,EMOLS-id_324340577	213.209	DNGSGOXODBUFMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017701
CC(C1CC(c2n1nc(n2)C(=O)O)F)C	SCHEMBL20641163,PC-id_137408369	213.209	BAIUPFBZIBHFNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017702
CC(C1C[C@@H](c2n1nc(n2)C(=O)O)F)C	PC-id_138515880,SCHEMBL20867692	213.209	BAIUPFBZIBHFNJ-ZBHICJROSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017703
CCCC1CC(c2n1nc(n2)C(=O)O)F	PC-id_137412537,SCHEMBL20645949	213.209	JWZPJIFKYSSNNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017704
CCC[C@@H]1C[C@@H](c2n1nc(n2)C(=O)O)F	SCHEMBL20645948,PC-id_137412536	213.209	JWZPJIFKYSSNNS-RITPCOANSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017705
CC(C)[C@@H]1C[C@@H](c2nc(nn12)C(=O)O)F	PC-id_137408370,SCHEMBL20641164	213.209	BAIUPFBZIBHFNJ-WDSKDSINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017706
c1(C(=O)O)sc2CCCc2c1N(=O)=O	EMOLS-id_330874688,MCULE-5092285523	213.21	FDQWWVWGKFQXCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017707
N#CCCc1cc2c(o1)CS(=O)(=O)O2	PC-id_138519965,SCHEMBL20872161	213.21	AKVVKGHTAKPYES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017708
OC(=O)c1cc(c2n1CCS2)C(=O)O	PC-id_140663968	213.21	PKANUBNDYKKHIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017709
OC(=O)c1cc(c2n1CSC2)C(=O)O	PC-id_140663970	213.21	ZWBRYLMZKQHYKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017710
OC(=O)N1Cc2c(C1)csc2C(=O)O	SCHEMBL9240745,PC-id_67803669	213.21	PKBPLTZEVQLSJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017711
NC(=O)N1CSc2c1cc([nH]2)C(=O)O	PC-id_68543034,SCHEMBL3188797	213.214	JBFAQCMHMTWGBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017712
FC1(F)CC(C1)Cn1nc2c(c1)CNC2	PC-id_118469364,SCHEMBL17213804	213.227	VOADNLRCANGCGP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-017713
o1cc2CN(Cc2c1)C(=O)c1ccccc1	SCHEMBL3621450,PC-id_68717214	213.232	ATFBXHHVQFEFSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017714
O1Cc2c(n(Cc3ccccc3)cc2)C1=O	PC-id_13449488	213.232	GJXNTFVXSUNLKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017715
O=C1OCc2c1cn(c2)Cc1ccccc1	PC-id_102236444	213.232	YGNUFEXCXUSRQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017716
C1c2c(C(=O)N1)n(cn2)Cc1ccccc1	PC-id_90434112,SCHEMBL16068380	213.235	WWOTUUCCLSVYLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017717
o1nc2CCCc2c1N=Cc1ncccc1	PC-id_58664481	213.235	LNMONHGVNCPLMK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-017718
O=C1Nc2c(C1)n(cn2)Cc1ccccc1	PC-id_96612677	213.235	FVOHYPWMXNQSFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017719
O=C(c1nnn2c1CCC2)c1ccccc1	PC-id_101577394	213.235	XNFKEPISACXZAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017720
Cc1nnc2n1NC(=Nc1ccccc1)C2	PC-id_135733712	213.239	CEOHFKYBEZNKHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017721
n12nc(nc1C(=C(C2)C#N)C#N)CCCC	PC-id_86192705	213.239	PGMVAJGLQFVZKT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017722
N#Cc1ccn(c1)Cc1nnc2n1CCC2	MCULE-3122476450,EMOLS-id_320024784	213.239	ZSRBNSAMWFAYQV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-017723
C1Cc2c(C1=Cc1ccc(cc1)F)cc[nH]2	PC-id_90829285	213.25	QLIQCKUDGNBAIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-017724
c1(CN(C)C)n(CCF)nc2COCc12	MCULE-2119140512,EMOLS-id_324400218	213.252	BHBUKDPQVUQRMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017725
c12CN(Cc1sc(OC)c2C(=O)O)C	EMOLS-id_331063335,MCULE-7378141284	213.254	RACCZMMVCDAUPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017726
c1(C(=O)NC)c2COCc2sc1OC	MCULE-7820906913,EMOLS-id_331062318	213.254	GFRHMIKTDDHIDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017727
c1(C(=O)OC)c2CNCc2sc1OC	EMOLS-id_331065131,MCULE-1576118041	213.254	DDOWAMYQRDOWBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017728
c1(C(=O)OCC)c2COCc2sc1N	EMOLS-id_331063086,MCULE-9553702452	213.254	YRCBJFJTQPORFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017729
CCOC(=O)C1CCc2c1[nH]c(=O)s2	PC-id_104287135	213.254	BNNOFLQAFSSWMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017730
CCOC(=O)c1c(N)sc2c1CCO2	PC-id_54448394,SCHEMBL7540382	213.254	WTEOWMUDIDYJBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017731
CCOC(=O)c1oc2c(c1N)CSC2	PC-id_101068208	213.254	SXZLJUQDIQIDGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017732
COCc1nc2c(s1)CCC2C(=O)O	EMOLS-id_107771588,PC-id_104287355	213.254	CHJUXCLSACIZGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017733
OC(=O)Cc1sc2c(n1)C(OC2)(C)C	EMOLS-id_266397189	213.254	GWFZNQNNWBDLAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017734
OC(=O)CC(c1sc2c(n1)CCC2)O	EMOLS-id_266396799	213.254	LFIVLPLBEGECTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017735
OC(=O)CCn1c(=O)sc2c1CCC2	PC-id_16768216,EMOLS-id_37339973	213.254	MIWZAKQIENLWDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017736
OC(=O)N1Cc2c(C1)c(sc2)C(O)C	PC-id_67802661,SCHEMBL9237170	213.254	XYZKNFNMQZTTQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017737
S1(=O)(=O)N=C(C(C)(C)C)c2c1occ2	PC-id_21048571	213.254	GGEYTVINOMBJMW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017738
S1(=O)(=O)N=C(C(C)(C)C)c2occc12	PC-id_21048575	213.254	MMPPXNFEOLHDQS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017739
S(=O)(=O)(c1c2CCC(=O)c2[nH]c1C)C	PC-id_86030981	213.254	WQRBEECKOYUDGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017740
c12CN(Cc1sc(CN)c2N(=O)=O)C	EMOLS-id_330871880,MCULE-6969853803	213.257	QSUJEKZRHKQHLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017741
Cc1nc2n(c1C(C(=O)O)N)CCS2	PC-id_112486742	213.257	XTNBAUZTRTZDAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017742
C=CCS(=O)(=O)N1Cc2c(C1)c[nH]n2	MCULE-2550661330,EMOLS-id_313614923	213.257	HIJLQWFKRWVCKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017743
CN(C(=O)Oc1[nH]nc2c1CSC2)C	PC-id_54321372,SCHEMBL11233180	213.257	SRXNXRYYZZCVJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017744
CN(C(=O)OC1NNc2c1csc2)C	PC-id_54167546,SCHEMBL11233178	213.257	OSSFORAPJUUYAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017745
NC(C(=O)O)Cc1cnc2n1CCS2	PC-id_112486741	213.257	BHSQTLLRUQEATK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017746
OC(=O)CSCc1nnc2n1CCC2	PC-id_104571086,EMOLS-id_261486278	213.257	MRQMQCGVQUWRRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017747
O/N=C
/n2c(OC)cnc2SC1(C)C	SCHEMBL10996191	213.257	SSPWYCSDJMSFQA-UXBLZVDNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017748
O=S(=O)(C1CC1)N1Cc2c(C1)c[nH]n2	MCULE-3041321535	213.257	CQEPUJJWUKOROJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017749
O=S(=O)(n1nc2c(c1)CNC2)C1CC1	PC-id_57518505,SCHEMBL826772	213.257	NYCQRWLPWKKESI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017750
O=S(=O)(n1ncc2c1CNC2)C1CC1	PC-id_66810658,SCHEMBL827666	213.257	YLVMRWZINACRJR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-017751
s1c2CN(Cc2nc1N)C(C)C(=O)O	PC-id_82194351	213.257	OFOVUHNSXSICJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017752
s1c2CNCc2nc1NC(=O)COC	PC-id_82194067	213.257	VQVIPQUKYSSOQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017753
s1c2CN(Cc2nc1N)C(=O)COC	PC-id_82194178	213.257	NBXDQDNEMAEYBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017754
S1c2n(CC1)cc(n2)CC(N)C(=O)O	PC-id_82660670	213.257	JHWQIODOGQZBID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017755
S1c2n(CC1)c(c(n2)CC(=O)O)CN	PC-id_82367598	213.257	ZVYSBJPJWDCCIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017756
S1c2n(CC1)c(c(n2)C(N)C(=O)O)C	PC-id_83886051	213.257	MNCXNKAVUISUOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017757
S1Cc2c(noc2NC(=O)NCC)C1	PC-id_49720628	213.257	SJPTWYWNZIWCSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017758
S1C(C(n2c1ncc2OC)N=O)(C)C	PC-id_54320511	213.257	SRHWHPPLEOIULO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017759
S1CCn2c1nc(N)c2C(=O)OCC	PC-id_24976348	213.257	IILOAEULOQILMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017760
S1CCn2c(nnc12)CC(C)C(=O)O	PC-id_82613143	213.257	VITDAONDDMYSMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017761
S1(=O)(=O)N=C(C(C)(C)C)c2[nH]ncc12	PC-id_21048576	213.257	IMWAWQLGVXVJIH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017762
CCNC1Nc2c(cnn2S1)C(=O)N	PC-id_137219404	213.26	MAAKFHRMFQXPQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017763
C=C/C=C(c1[nH]c2c(c1C=C)CCC2)/C=O	PC-id_142143226	213.275	FBGWFPMDKWHATQ-POHAHGRESA-N	00000010100000000000000010000000000000000000000000000000	25-01-017764
CSc1cc2c(s1)CC(=N2)C(=O)O	SCHEMBL7681171,PC-id_22457607	213.277	UDHBYGIAXFJWNJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017765
c12CN(Cc1nn(C)c2)Cc1ccccc1	EMOLS-id_324341090,MCULE-6160146977	213.278	ORDJDHWEAGNGKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017766
c1ccc(cc1)CCc1n[nH]c2c1CNC2	PC-id_112710553	213.278	LSHFFTSEUWIKQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017767
c1ccc(cc1)CCn1nc2c(c1)CNC2	PC-id_96612508	213.278	YJSHSFBMOQWMHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017768
c1ccc(cc1)CNC1CCn2c1ncc2	EMOLS-id_96772040	213.278	FEKWBUIYICGYHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017769
Cc1ccccc1Cc1n[nH]c2c1CNC2	PC-id_112710556	213.278	KXWKMOJLJMUPKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017770
Cc1cccc(c1)Cc1n[nH]c2c1CNC2	PC-id_112710557	213.278	HLQQCVSNDOHASQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017771
Cc1ccc(cc1)Cc1n[nH]c2c1CNC2	PC-id_112710558	213.278	NIVYMTNHMGHSQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017772
Cc1nc2c(n1Cc1ccccc1)CCN2	PC-id_96612466	213.278	HDGZMPIGPFKSCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017773
CC1NCc2c1cn(n2)Cc1ccccc1	PC-id_112486729	213.278	IDBDNYJQKKBNJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017774
Cc1n(Cc2ccccc2)nc2c1CNC2	PC-id_96612512	213.278	HQHUUYJUHPYCJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017775
Cn1nc2c(c1Cc1ccccc1)CNC2	PC-id_112710554	213.278	JDRVZGDMDUNLAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017776
Cn1nc(c2c1CNC2)Cc1ccccc1	PC-id_112710552	213.278	KHRIBAFMTJEDQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017777
n12C(CCc1nnc2C)Cc1ccccc1	PC-id_12764910	213.278	BTTBLGOESUMWAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017778
n1(C(C)c2ccccc2)cc2c(CNC2)n1	MCULE-9953255482,PC-id_112486726	213.278	RYSQXBQLYDRSLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017779
n1c(CNc2ccccc2)c2c(CCC2)[nH]1	MCULE-9692840249,PC-id_61395261,EMOLS-id_38281127	213.278	VYYAEBYNBHJRSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017780
n1(nc2c(CCC2)c1N)Cc1ccccc1	EMOLS-id_41192117,PC-id_65348829	213.278	LMLQPDUXJBSKSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017781
NC1Cc2c(C1)n(nc2)Cc1ccccc1	PC-id_118578787,SCHEMBL17338926	213.278	YINRDLDPEDSJOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017782
Nc1ccc(Cc2n[nH]c3CCCc23)cc1	EMOLS-id_337935385	213.278	FKRVHHSKUBBHPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017783
Nc1cccc(Cc2n[nH]c3CCCc23)c1	EMOLS-id_337933081	213.278	JBXXPXXQQYBHPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017784
NC(c1n[nH]c2c1CCC2)c1ccccc1	PC-id_112711749	213.278	NENGFANJEXDOLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017785
N[C@@H]1Cc2c(C1)n(nc2)Cc1ccccc1	PC-id_118578786,SCHEMBL17338925	213.278	YINRDLDPEDSJOA-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017786
CC1(C)OC(C)(C)c2c(CS)noc12	EMOLS-id_259607482,MCULE-4231401608	213.297	UWPXKJXNGUXWIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017787
CC(c1[nH]cc2c1CCS2(=O)=O)(C)C	SCHEMBL17591355,PC-id_118946003	213.297	GTOAJUJAGWJDAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017788
OCc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_107321074,PC-id_79928090	213.297	CORPHHVRAHESNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017789
CN(CCn1nc2c(c1O)CSC2)C	EMOLS-id_107486586	213.3	MVLMMZIASSFHDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017790
CN(Nc1sc2c(n1)C(OC2)(C)C)C	EMOLS-id_266402425	213.3	WXUAZNNXSJXABQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017791
NCCNc1sc2c(n1)C(OC2)(C)C	EMOLS-id_266403936	213.3	JVTDBBJAAIWDDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017792
NNc1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79928615,EMOLS-id_107651281	213.3	ZMDRUAVZVSUDGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017793
S1Cc2[nH]n(CCN(C)C)c(=O)c2C1	PC-id_83196154	213.3	JXWUDIUXFXUQCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017794
CCC1NNc2c(c(nn12)SCC)N	PC-id_136648369	213.303	GGIUCKXMQPSWCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017795
FCCCNCc1sc2c(c1)CCC2	PC-id_81106933,EMOLS-id_314776980	213.315	JATRRADGQHXDPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017796
S1CC(c2c1scc2)CNC(=O)C	PC-id_14867381	213.32	YJFVKAYZLHRAKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017797
s1c(c2CCCc2c1SC)C(N)C	PC-id_82613231	213.363	RFSWLKWYIFQPPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017798
OC(=O)c1c2CCC(=O)c2c(n1C)Cl	EMOLS-id_324000160	213.618	AADXGNGMEIMZRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017799
CC(C(=O)O)C1CCc2c1c[nH]c2Cl	PC-id_112716622	213.661	XTLPDJLXRWWABP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017800
Clc1n(cc2C(CCc12)CC(=O)O)C	PC-id_83909878	213.661	MTKAPIBGKJQOER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017801
n1(C)cc2C(C(=O)O)C(C)Cc2c1Cl	PC-id_112716623,MCULE-2024574962	213.661	VYTLFPYZINUCNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017802
OC(=O)CC1C(C)Cc2c1c[nH]c2Cl	PC-id_112716621	213.661	YIGWAJCFEWEVBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017803
c1(C(=O)C(C)N)n2CCCc2nc1Cl	PC-id_112546237,MCULE-9841870655	213.664	LGJMYDPGVZGJGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017804
CCCCc1nc(c2n1C(=O)NC2)Cl	PC-id_91194957	213.664	SDLXUTWAORTTQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017805
CC(C(=O)c1nc2n(c1Cl)CCC2)N	PC-id_112546239	213.664	QTYUAFQHHMTNLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017806
CC(C(=O)N1Cc2c(C1)cnn2C)Cl	PC-id_145900246,MCULE-5734078367	213.664	IXAKKBFZLGIKRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017807
Clc1c2n(nc1C(=O)N)CCC2(C)C	PC-id_71149028,SCHEMBL14351706	213.664	UBNLYWZIXWOHRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017808
ClCC(C(=O)N1Cc2c(C1)c[nH]n2)C	MCULE-9100784572,EMOLS-id_313591665	213.664	KXQQBGAHBYFHIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017809
CNCC(=O)c1c(Cl)nc2n1CCC2	PC-id_112546236	213.664	QWPKQSUOMROLAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017810
CNCC(=O)c1nc2n(c1Cl)CCC2	PC-id_112546238	213.664	GCSPDXUGAIUFAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017811
Clc1n(nc2c1CSC2)CCC#N	PC-id_83192322,EMOLS-id_114730351	213.687	WUMTWRCHIGEQEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017812
NCC(C1C(C)Cc2c1cc(o2)Cl)C	PC-id_112716626	213.704	MWBCYBSXSWWECU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017813
NCC(C1C(C)Cc2c1oc(c2)Cl)C	PC-id_112716625	213.704	OSQXJYZFEOPJKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017814
c12C(C)CCc1n(nc2Cl)CCCN	EMOLS-id_330974463,MCULE-4114915204	213.707	IEEYNXMPFKWWEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017815
c12C(C)CCc1nn(CCCN)c2Cl	EMOLS-id_330964656,MCULE-1847600518	213.707	PUMFTXWJDFZRMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017816
Clc1n(nc2c1CCC2)CCN(C)C	PC-id_66022652	213.707	NXHJHPMYOUNAHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017817
Clc1cc2c(s1)CCC2NCC=C	EMOLS-id_107617800,PC-id_81251702	213.727	CELMUAOHSXADJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017818
Clc1n2C(CCc2c[n+]1C(C)(C)C)C	PC-id_75090341	213.727	SSGOQDYRODAQPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017819
Clc1n2[C@H](CCc2c[n+]1C(C)(C)C)C	PC-id_45101776	213.727	SSGOQDYRODAQPZ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017820
Clc1sc2c(c1)C(CC2)NC1CC1	PC-id_81252766,EMOLS-id_96680002	213.727	OOYAZVQPEWYZEF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-017821
Clc1sc2C(NC3CC3)CCc2c1	PC-id_83909913	213.727	LWNSNVIVJAOQHK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-017822
ClC(=C)CNC1CCc2c1scc2	EMOLS-id_266409176	213.727	ZBRGALMKOVNWHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017823
C1C2=C(N=C1C(=O)[O-])[Se]C=C2	PC-id_154431669	213.941	KXXYRELFAUCACL-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-017824
CSC1=C2CN(CC2=CS1)C(=O)[O-]	PC-id_154493517	214	CMYYLAMJLWUSGE-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-017825
CCOC(=O)C1=C(N2CCCC2=N1)Cl	PC-id_154730317	214.051	RJLZCMBGSYCHNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017826
Brc1cc(C=O)c2CCCn12	EMOLS-id_336524228,MCULE-1678489720	214.059	WPJORHQAHBIBEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017827
Brc1c(n2CCCc2c1)C=O	PC-id_82394093	214.059	BIEMILJWEROOGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017828
CC1Cc2c(C1=O)c[nH]c2Br	PC-id_112716643	214.059	LDPZGTNHCCWVEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017829
CC1CC(=O)c2ccc(Br)n12	EMOLS-id_336568085	214.059	BHKGQXFYFMTRJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017830
Cn1cc2C(=O)CCc2c1Br	PC-id_83909916,EMOLS-id_323995553	214.059	GTAOZOQVHCSHAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017831
[se]1c2CC(=Nc2cc1)C(=O)O	PC-id_44543975	214.08	HRYJTEODSLLHTA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017832
[se]1c2N=C(Cc2cc1)C(=O)O	PC-id_44544215	214.08	KXXYRELFAUCACL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017833
CCCS(=N)(=O)N1CC2=C(C1)NN=C2	MCULE-4306856784,PC-id_164655993	214.089	BYFPNRUZYWHBKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017834
CC1CC2=C(C1)N(N=C2C(F)F)C(C)C	PC-id_153291651	214.128	CZMUFAUBNGSXCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017835
C[C@@H]1Cc2c(C1(F)F)n(nc2)CC(C)C	PC-id_163916814	214.128	KQIJOZYGQRNNSJ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017836
c1(C(F)(F)F)c2CCCc2n(CC#C)n1	PC-id_121214523,MCULE-7057650221,EMOLS-id_70119181	214.187	ILVZGNOQRLVRRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017837
FC(F)(F)Cn1nc2CCCc2c1C#C	MCULE-3290181430,EMOLS-id_324401759	214.187	OMFFHNKELGGOEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017838
CN(C(=O)c1nn2CCC(c2n1)F)OC	PC-id_137412475,SCHEMBL20645884	214.197	FAUVIISJGVGYQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017839
n12cc(nc1SC(CC(=O)O)C2=O)O	MCULE-2398873666,TIMTEC466679,PC-id_4145719	214.199	TWEYXEBLUKVSJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017840
O=C(O)C[C@H]1Sc2nc(O)cn2C1=O	PC-id_40453767,ZINC22_3098822	214.199	TWEYXEBLUKVSJU-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017841
O=C(O)C[C@@H]1Sc2nc(O)cn2C1=O	ZINC22_3098823,PC-id_40453769	214.199	TWEYXEBLUKVSJU-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-017842
s1nc(c2N(C(O)C(=O)c12)C)C(=O)O	PC-id_82613309	214.199	QQGNWXAUBZEQKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017843
CC1CCc2c1c(C=O)nn2CC(F)F	MCULE-1294049391,EMOLS-id_331005693	214.212	ZHWIQWIXXMYONM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017844
CC1CCc2nn(CC(F)F)c(C=O)c12	MCULE-7949738409,EMOLS-id_330986686	214.212	XZEZZNKRKUCHDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017845
CC(c1c2C(=O)CCc2nn1C(F)F)C	PC-id_142345866	214.212	WKXJJIYMUQYCAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017846
CCn1nc(c2c1CCC2(F)F)C(=O)C	PC-id_105467437	214.212	DYAXXMSFCKOTND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017847
O=Cc1nn(c2c1C(F)(F)CC2)C(C)C	PC-id_105467438	214.212	KWARYOQSCGCVQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017848
C1Cn2c(c(nn2)C(=O)c2ccccc2)N1	CHEMBL1221798,PC-id_135924062	214.223	FVWXADPQPOJNMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017849
n12N=C(N)Cc1nnc2Nc1ccccc1	PC-id_85670331	214.227	YEKAMKREIPEYPZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-017850
FC(F)Cn1nc2CSCc2c1C#C	MCULE-6419514344,EMOLS-id_324400466	214.235	WYHQCYGDCYTUQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017851
c1(C(=O)OC)c2COCc2sc1OC	EMOLS-id_331059758,MCULE-9001813414	214.238	JMOIDKUGFUGTCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017852
S1(=O)(=O)C(c2c(C1)coc2C(=O)C)C	PC-id_10465824	214.238	KEWGQHANJNGABD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017853
S1(=O)(=O)C(c2c(C1)c(oc2)C(=O)C)C	PC-id_11820548	214.238	YNOGHRFWJYQMRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017854
c12CN(Cc1sc(CO)c2N(=O)=O)C	MCULE-6010265156,EMOLS-id_330871624	214.242	CQEGIYTXWQRCNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017855
CC1Sc2n(C1O)c(c(n2)C(=O)O)C	PC-id_141200496	214.242	KPLJYWZZJKKTNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017856
CCn1nc2c(c1C=O)CS(=O)(=O)C2	PC-id_105467545	214.242	GHHMTMUSARHKMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017857
CCn1nc(c2c1CS(=O)(=O)C2)C=O	PC-id_105467540	214.242	VSMDQASNUYFXQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017858
CC(=O)c1n(C)nc2c1CS(=O)(=O)C2	PC-id_105467526	214.242	YCSYVQNYKITOMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017859
CC(=O)c1nn(c2c1CS(=O)(=O)C2)C	PC-id_105467522	214.242	NBMQZQRINFIENK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017860
CCOC(=O)c1cn2c(n1)SCC2O	PC-id_57437187,SCHEMBL1572187	214.242	WDZQUBGPASRYQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017861
Cn1c(=O)c2c([nH]1)CSC2C(=O)OC	PC-id_90275142,SCHEMBL15867531	214.242	WNNSNFASJBXRLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017862
OCCn1nc2c(c1C(=O)O)CSC2	PC-id_105467546	214.242	PTOVMEBJCTZMRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017863
OCCn1nc(c2c1CSC2)C(=O)O	PC-id_105467547	214.242	UTVPFJIPXUOXTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017864
OC(=O)CCn1[nH]c2c(c1=O)CSC2	PC-id_105467550	214.242	JAWNJRLEEYRZSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017865
S1c2n(CC1)c(c(n2)CC(=O)O)CO	PC-id_82367542	214.242	UYWMGPYMAOWMIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017866
S1(=O)(=O)N=C(C(C)(C)C)c2ncoc12	PC-id_21048570	214.242	XFVXKJZICNJXBQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017867
S1(=O)(=O)N=C(C(C)(C)C)c2ocnc12	PC-id_21048574	214.242	WVYRQZSYWLXJLL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017868
c1(NC(=O)COC)nnc2SCCn12	ZINC22_15865760,PC-id_22582937,CoCoCo_2590467,ChEMBL-DNDi_CHEMBLF2079-0021,MCULE-2218636382,EMOLS-id_16349351	214.245	ONUGQNOARYBYLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017869
CN(S(=O)(=O)n1cc2c(n1)CN=C2)C	PC-id_141473643	214.245	GHHIPSCLJAXTKK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017870
S1CCn2c1nnc2NC(=O)OCC	PC-id_44007667	214.245	ICGINFMPFBNSCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017871
S1CCn2c(nnc12)CC(N)C(=O)O	PC-id_82394035	214.245	PBAYKBHZRONPFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017872
S1CCn2nc(nc12)CC(N)C(=O)O	PC-id_82394036	214.245	HLVQJLNLDMSQLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017873
S1(=O)(=O)CCn2c1nc(c2)CC(=N)N	PC-id_83676835	214.245	RYXPCFGHGOFOOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017874
S1(=O)(=O)CCn2nc(cc12)CC(=N)N	PC-id_83676833	214.245	ILVJWRONAABWBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017875
CC(C)n1c2c(CCC2)c(n1)C(C)(F)F	SCHEMBL15723641,PC-id_90162060	214.255	NNPLFRPWLBUQBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017876
C(#CC1Oc2cc(=CC)oc2=C1)/C=C/CC	CNP0238631	214.26	MGLPRHRQICFLCR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017877
OC(=O)Cc1cc2c(s1)C(=O)CS2	PC-id_97707857	214.261	OJGLSLGELGYMFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017878
OC(=O)Cc1scc2c1C(=O)CS2	PC-id_97707855	214.261	LVAGSFWHLCZKCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017879
OC(=O)Cc1scc2c1SCC2=O	PC-id_97707856	214.261	UZKAMSWITHJADQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017880
c12[C@H](OCc3ccccc3)CCn1ccn2	EMOLS-id_337787308,MCULE-4631997318,PC-id_50907230	214.263	CEMROCNPAXFPCY-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017881
c1ccc(cc1)CCc1onc2c1CNC2	PC-id_112710560	214.263	VLHJZKYQLXDIFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017882
c1ccc(cc1)CO[C@H]1Cn2c(C1)ncc2	PC-id_139745506	214.263	JOQQYYGVWCEIMS-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017883
Cc1ccccc1Cc1onc2c1CNC2	PC-id_112710561	214.263	WTLFCJIASHKZLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017884
Cc1cccc(c1)Cc1onc2c1CNC2	PC-id_112710562	214.263	NBDJAQUKQPUANY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017885
Cc1ccc(cc1)Cc1onc2c1CNC2	PC-id_112710563	214.263	PSOGBMQQCWXOPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017886
NC(c1onc2c1CCC2)c1ccccc1	PC-id_112711748	214.263	XWWSGCNLZFUZGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017887
o1c2CCCc2nc1Cc1ccc(N)cc1	PC-id_83949574	214.263	OHIGXYPKAHEJGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017888
O(C1CCn2c1ncc2)Cc1ccccc1	PC-id_75579057	214.263	CEMROCNPAXFPCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017889
O(C1Cn2c(ncc2)C1)Cc1ccccc1	PC-id_85749599	214.263	JOQQYYGVWCEIMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017890
O=c1n([nH]c2c1CCC2)Cc1ccccc1	PC-id_66021257	214.263	KORIXOOIUKKXOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017891
c1ccc(cc1)NCc1nnc2n1CCC2	EMOLS-id_37366754,PC-id_60722553	214.266	PDEIVYHOCAYFJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017892
c1(C(N)c2ccccc2)nnc2CCCn12	PC-id_43142790,MCULE-2492557688	214.266	PEWHZXVANDKLDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017893
Cc1nc(=Nc2ccccc2)n2n1CCC2	PC-id_101610144	214.266	ZLGPJDRKAYNPHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017894
n12CCCc1nnc2Cc1cc(N)ccc1	EMOLS-id_41190877,PC-id_65345286	214.266	PKEWADIYZXADHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017895
n12CCCc1nnc2Cc1c(N)cccc1	PC-id_62534602,EMOLS-id_39145820	214.266	RDWYOLFJDBHPNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017896
N1(Cc2c([nH]nc2N)C1)Cc1ccccc1	PC-id_83849072	214.266	LDEMCNBIHUFODG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017897
N1Cc2[nH]c(nc2C1)Cc1ccc(N)cc1	PC-id_83949422	214.266	IUVPVYSLJNHGOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017898
n1(nc2c(CCC2)c1C)Nc1ccncc1	PC-id_10703844	214.266	JYIFQPRERLFMRH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-017899
n1(nc(c2CCCc12)C)Nc1ccncc1	PC-id_10488826	214.266	DLYKWSVLKDIYIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-017900
Nc1ccc(Cc2n3c(CCC3)nn2)cc1	MCULE-8162450313,ZINC22_36896106,EMOLS-id_37528441,PC-id_43142782	214.266	VBLDRPOXHLUDBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017901
NC1CCn2c1c(nc2)Cc1cccnc1	PC-id_112486646	214.266	YFGSFYGOXCJWGW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-017902
NC1Cn2c(C1)c(nc2)Cc1cccnc1	PC-id_112486645	214.266	ZUDOAIRTFIUNII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-017903
CSC1=NC(=N)n2c1c([nH]c2=S)O	PC-id_136261130	214.268	QSBYTMLLPLWJNX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017904
CSc1nc(N)n2C(=S)NC(=O)c12	PC-id_53215296,MCULE-7778518654,EMOLS-id_31520894	214.268	BLCUTBXXQWLHTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017905
S1(=O)(=O)C(c2c(C1)coc2)CCCC	PC-id_15150132	214.281	WOFCUCOSLKFFOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017906
Oc1n(nc2c1CSC2)CC(O)(C)C	EMOLS-id_114732609	214.285	ZNYDHBZVXHFRDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017907
S1(=O)Cc2c(nn(c2OC)C(C)C)C1	PC-id_59050185	214.285	OZHWAUXCRZQVFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017908
S1(=O)(=O)Cc2c([nH]c(c2CCN)C)C1	PC-id_84783490	214.285	RLDFCWGPSNLDKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017909
c1ccc(cc1)SC1=Nc2n(C1)ccc2	PC-id_70482991,SCHEMBL10967907	214.286	YKURFRYEIFNPHV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-017910
Cn1c[n+]2c(n1)CC[C@@H]2Cc1ccccc1	PC-id_118886940,SCHEMBL17523276	214.286	BYHLGSHPQNZEAY-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017911
[n+]12C(CCc1nn(c2)C)Cc1ccccc1	PC-id_76748645	214.286	BYHLGSHPQNZEAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017912
[n+]12[C@@H](CCc1nn(c2)C)Cc1ccccc1	PC-id_58260970	214.286	BYHLGSHPQNZEAY-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-017913
CC(S(=O)(=N)N1Cc2c(C1)c[nH]n2)C	MCULE-1058754789	214.288	KCFSVEFUQLUYJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017914
CN1Cc2c(C1F)nc(s2)C(C)(C)C	PC-id_59463959,SCHEMBL12340960	214.303	NGMAFXCZFGBDOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017915
FCCCNCc1sc2c(n1)CCC2	PC-id_115887949	214.303	WLJHLJYSSRARQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017916
CCCC1=Cc2c(S1(=O)=O)scc2	PC-id_67912759,SCHEMBL9711241	214.304	QOTLXMJHEJFQLC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017917
CCCC1=CS(=O)(=O)c2c1ccs2	PC-id_67912760,SCHEMBL9711243	214.304	CLSKMAPLCYWRLZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017918
s1c(c2CCCc2c1SC)C(=O)O	PC-id_82393976	214.304	JDGFLOVHZDBNLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017919
c1(C(=O)OCC)cc2c(CSC2)s1	EMOLS-id_330873153,MCULE-8282391448	214.305	QGULVZWJRSECLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017920
c1(C(=O)OCC)csc2CSCc12	MCULE-8015132767,EMOLS-id_331063080	214.305	WQZXSKKSJFTYBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017921
C#Cc1c2CCCc2nn1CC1CCCC1	EMOLS-id_324400479,MCULE-5860292116	214.306	RBIDTOATSAUNFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017922
CC/C=C(/c1nn2c(c1)CCC2)C=C/C=C	PC-id_145164726	214.306	IIUAVFNJPDGFMJ-VKLFPMIUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017923
s1cc2C[N+](=Cc2c1)Cc1ccccc1	PC-id_10474504	214.306	QHXJFTKFYFURLQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-017924
c1(C(=O)NC)c2CSCc2sc1N	EMOLS-id_331059243,MCULE-4516074772	214.308	OTAJCTDDXGBDJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017925
c1(C(=O)NC)sc2CSCc2c1N	MCULE-3141154661,EMOLS-id_330872898	214.308	FMFIGHNQHGBZJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017926
s1c2CCCc2nc1NC(=O)CS	PC-id_65628222	214.308	LBCOVECMJUPANY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017927
CC(C1Cc2c(C1)sc(=O)s2)(C)C	SCHEMBL13196636,PC-id_59449499	214.348	TWUXKPFDWOAWRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017928
CC(C1CCc2c1sc(=O)s2)(C)C	PC-id_59449527,SCHEMBL13196635	214.348	AXAADDFTSDOTKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017929
CCSCn1c(=N)sc2c1CCC2	EMOLS-id_107408096	214.351	OKIZZLWTZSKMFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017930
CSCc1nc2c(s1)CCC2CN	EMOLS-id_194672049	214.351	MVPUIRPSUCYRCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017931
NCCc1sc(c2c1CCN2)SC	PC-id_96611801	214.351	NETOFDYXSZSFTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017932
Cc1sc(c2c1CCC2)S(C)(C)C	SCHEMBL19073086	214.391	YXWXPUOQZNGGND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017933
Clc1oc2C(CC(=O)c2c1)CC(=O)O	PC-id_84049414	214.602	JCWZYIPFZQMNFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017934
c1(C(=O)Cl)c2CCCc2oc1COC	PC-id_83610113,MCULE-3250610396	214.646	ZTXNLVFWQQBSOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017935
CC1Cc2c(C1CC(=O)O)cc(o2)Cl	PC-id_112716673	214.646	CWIBKOCCBYSXGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017936
CC1Cc2c(C1CC(=O)O)oc(c2)Cl	PC-id_112716672	214.646	VGOAGUYBQGVSRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017937
Clc1oc2C(CCc2c1)C(C)C(=O)O	PC-id_83909928	214.646	MAQUGQDZSKYWPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017938
Clc1oc2c(C(CC2)C(C)C(=O)O)c1	PC-id_83909929	214.646	OZTBBURIQLALEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017939
ClCCCC1(OC(=O)c2c1occ2)C	PC-id_10878534	214.646	BZBVKMQRSSOSFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017940
c1(C(=O)OC)c2CCCn2nc1CCl	MCULE-6184390506,SPECS-id_AT-687/NB05062,SPECS-id_AT-687/PE33597,EMOLS-id_49186311,PC-id_75466409	214.649	USJQOOQTQVTSKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017941
CC1Cc2c(C1(N)C(=O)O)c[nH]c2Cl	PC-id_112716676	214.649	FCMYKFFQUNQBRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017942
CC1CCc2c1c(Cl)nn2CC(=O)O	MCULE-4703342992,EMOLS-id_330974462	214.649	KKRXPUJJSORZBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017943
CC1CCc2nn(CC(=O)O)c(Cl)c12	MCULE-4602807359,EMOLS-id_330960831	214.649	OFQRNLSAYLQMTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017944
CCOC(=O)c1nn2c(c1Cl)CCC2	SCHEMBL3799255,PC-id_68792226	214.649	REDNBOWYEOYJFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017945
Clc1n(cc2C(N)(CCc12)C(=O)O)C	PC-id_83909931	214.649	NXIPVBTZNWOGMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017946
Clc1[nH]cc2C(N)(CCc12)C(=O)OC	PC-id_83909930	214.649	HXDWZQWSUKHNMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017947
OC(=O)CCc1c(Cl)nc2n1CCC2	PC-id_112546287	214.649	YFBBDTNCIKUOOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017948
OC(=O)CCc1nc2n(c1Cl)CCC2	PC-id_112546288	214.649	JQVJZTFKYOMMII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017949
ClC(=O)CC1Cc2sccc2C1=O	PC-id_10775028	214.669	FUVCPBKPTSVJRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017950
ClC(=O)CC1CC(=O)c2sccc12	PC-id_21781776	214.669	JDYBYBQBYNWQDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017951
c12C(C)CCc1n(nc2Cl)CCCO	MCULE-6665451592,EMOLS-id_330977278	214.692	ZRGLPDDIJBSFDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017952
c12C(C)CCc1nn(CCCO)c2Cl	EMOLS-id_330963632,MCULE-5036837241	214.692	SVNWFGKQNXAOOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017953
CC1Cc2c(C1(O)CCN)c[nH]c2Cl	PC-id_112716679	214.692	LNKYFQBBNXCQLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017954
Clc1n(cc2C(O)(CCc12)CCN)C	PC-id_83909941	214.692	XEKBKHWDNKMHSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017955
NCC1(O)C(C)Cc2c1cn(c2Cl)C	PC-id_112716677	214.692	UNXGVVMXDMQVPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017956
OCC1(N)C(C)Cc2c1cn(c2Cl)C	PC-id_112716680	214.692	QAXJFXAQEXXXKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017957
Clc1c2CCCc2sc1CC(=O)C	PC-id_84783660	214.712	LSQRXVBCLGDKOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017958
ClC(=C)Cn1c(=N)sc2c1CCC2	EMOLS-id_114736873	214.715	JGSBVAXCXGDHPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017959
ClC=CCn1c(=N)sc2c1CCC2	EMOLS-id_114736945	214.715	KCESEIXBRYXNFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017960
ClC=CCSc1[nH]c2c(n1)CCC2	EMOLS-id_296537912	214.715	QSKRFEWKDJUICW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017961
ClC(=C)CSc1[nH]c2c(n1)CCC2	EMOLS-id_296537915	214.715	HYGKKYZFSLWHDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017962
Cl[Si](C1c2sccc2C=C1)(C)C	SCHEMBL13797849,PC-id_57719359	214.787	KAAZQJWRQRUGRC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017963
C1C2=C(N=C1C(=O)[O-])[Se]C=N2	PC-id_154431670	214.937	CUTHZQJOKMBESM-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-017964
C1C2=C(N=C[Se]2)N=C1C(=O)[O-]	PC-id_154431668	214.937	PEQKACRMANGKPJ-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-017965
CC1=C(SC2=C1CC(=N2)C(=O)O)Cl	PC-id_153832628	214.981	KLKJFWXIFQTOIH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017966
Brc1[nH]cc2c1C(=O)NC2=O	PC-id_83886515	215.004	DJEYEPIHSVYJTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017967
C1CC2=C(C1)SC(=S)N2CC(=O)O	PC-id_154374694	215.007	NLCBONGOOWAIOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017968
CC(=O)N1CC2=C(C1)NN=C2SS	PC-id_148402727	215.019	LSDMAIZPHKVYCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017969
Cp1c(Br)cc2c1CC=C2	SCHEMBL2966485	215.027	YRPPGXPVGDDSLP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017970
Cp1cc(c2c1CC=C2)Br	SCHEMBL2971575	215.027	KEQVAVVPTBGNHD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017971
CCCCN1CC2=C(C1)SC(=O)S2	PC-id_152480267	215.044	XZGKHMYWCINBGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017972
Brc1c(C=O)nn2CCCc12	PC-id_84041397,SCHEMBL21315234,EMOLS-id_324140600,MCULE-5456975506	215.047	RJSASFRJTCTCBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017973
Brc1n2CCCc2nc1C=O	PC-id_82393923	215.047	GWQXMXVJRNUKGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017974
Brc1n2CCC(=NO)c2cc1	PC-id_297605	215.047	SVMJIIOUOFFJKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017975
Brc1nc2CCCn2c1C=O	PC-id_82393922,MCULE-4384791424,EMOLS-id_331295515	215.047	MSFRYYZWDRYQRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017976
Brc1n(c2c(CNC2=O)c1)C	PC-id_83486143	215.047	ILKRPVAVSGSNRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017977
Brc1[nH]c(c2c1CNC2=O)C	PC-id_82613519	215.047	HAZSWQTXLAGILB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017978
Brc1nn2CCCc2c1C=O	MCULE-9287376573,EMOLS-id_317769083	215.047	HOXMNYNLWLSSOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017979
Brc1n(nc2CCC(=O)c12)C	PC-id_83909946	215.047	PVVDSVFNIRNCJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017980
Brc1nn(c2CCC(=O)c12)C	PC-id_83909947	215.047	SGYMKYJPKUBIQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017981
CC1c2c(cc([nH]2)Br)C(=O)N1	SCHEMBL15231130,PC-id_89783900	215.047	DSHFLEAHCDGSRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017982
C[C@H]1NC(=O)c2c1[nH]c(c2)Br	SCHEMBL15231125	215.047	DSHFLEAHCDGSRT-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017983
CN1CC(=O)c2c1cc([nH]2)Br	PC-id_98010753	215.047	RBEIKKYEBNNTKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017984
O/N=C
/CCn2c1ccc2Br	CoCoCo_5509156	215.047	SVMJIIOUOFFJKE-UITAMQMPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017985
O/N=C/1CCn2c1ccc2Br	NSC168853,LI_157236,CoCoCo_5509155	215.047	SVMJIIOUOFFJKE-WEVVVXLNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017986
Brc1scc2c1C=CC2=O	PC-id_397152,CoCoCo_5771147,NSC704553	215.067	SENZFQBCEOEZKS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017987
C1=CC(=O)c2c1c(cs2)Br	SCHEMBL20604222,PC-id_137375596	215.067	ASTAUHMEVIJFAM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-017988
[se]1c2CC(=Nc2nc1)C(=O)O	PC-id_44544097	215.068	PEQKACRMANGKPJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017989
[se]1c2N=C(Cc2nc1)C(=O)O	PC-id_44544336	215.068	CUTHZQJOKMBESM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-017990
BrCc1c2CCCc2oc1C	PC-id_83610133	215.087	MUKORFJZHCWDDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017991
Brc1c2c([nH]c1C)CN(C2)C	PC-id_84783686	215.09	HWZYOGALRBIRMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017992
Brc1nc2CCC(C)(C)n2c1	EMOLS-id_337152198,MCULE-9435643759	215.09	GXZZMOPNDQJTCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017993
Brc1[nH]cc2C(CCc12)CN	PC-id_83909951	215.09	GSLUIGGDINMKTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017994
Brc1[nH]cc2C(NC)CCc12	PC-id_83909952	215.09	IILFOPZYEYBHNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-017995
BrCCc1n[nH]c2CCCc12	MCULE-1730653229,EMOLS-id_313951171	215.09	HNGAFGWVLMFOFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017996
c12CCCc1n(nc2Br)CC	EMOLS-id_324385887,PC-id_105468255,MCULE-3520232929	215.09	BZEVBUIBPDXYMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017997
c12C(C)CCc1n(nc2Br)C	MCULE-2296296263,EMOLS-id_330969591	215.09	NYUNCNOCUSZAMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017998
c12C(C)CCc1nn(C)c2Br	EMOLS-id_331018409,MCULE-7549911486	215.09	ONFAFGPMHAIALV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-017999
c12C(C)CCc1n[nH]c2CBr	MCULE-1591724421,EMOLS-id_331016125	215.09	VYCFZVXOBSICCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018000
CC1(C)Cc2c(Br)cnn2C1	ZINC22_606301624,MCULE-5006860876,EMOLS-id_168891647,SCHEMBL18338431	215.09	QXHPGMLRFVKANA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018001
CC1CN(c2c1c(Br)[nH]c2)C	PC-id_112486569	215.09	JRVUUHSOQFVDEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018002
CCn1nc2c(c1Br)CCC2	PC-id_105468256	215.09	HXHQHBUNGOFPOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018003
Cn1cc2C(N)CCc2c1Br	PC-id_83909953,EMOLS-id_323998624	215.09	YUYYGSADCHCLBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018004
CN1CCc2c1cc(n2C)Br	PC-id_96242508	215.09	WOVXZZCDWREKFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018005
Brc1c2CC=C(c2sc1)C	PC-id_68186404,SCHEMBL11982448	215.11	GYBQRWYKSZLJKH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018006
Brc1c2C(C=Cc2sc1)C	SCHEMBL14496181,PC-id_71188688	215.11	DSEQRAWVYMDUKW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018007
Brc1c2CC(=Cc2sc1)C	SCHEMBL816243,PC-id_12162491	215.11	JKSIJGUTQCXCKX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018008
Brc1c2c(sc1)CC(=C2)C	PC-id_58897778,SCHEMBL817821	215.11	JLHJUKLSFGAYPE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018009
Brc1c2c(sc1)C(C=C2)C	SCHEMBL2964175,PC-id_68459205	215.11	PULLYIIXVFDPON-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018010
Brc1c2c(sc1)CC=C2C	SCHEMBL2971305,PC-id_68461721	215.11	FBAZNSPLNDSCFT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018011
Brc1cc2c(s1)C(C=C2)C	PC-id_68459626,SCHEMBL2965326	215.11	VBQCOKDPJZWXSS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018012
Brc1sc2c(c1)C(=CC2)C	PC-id_68461787,SCHEMBL2971488	215.11	BOJNYEVBEHMCPP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018013
Brc1sc2CC(=Cc2c1)C	SCHEMBL2973284,PC-id_68462476	215.11	BQNPXUNJWVLFAI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018014
Brc1sc(c2CC=Cc12)C	SCHEMBL2965346,PC-id_68459633	215.11	ZUFDWIFESYDAQZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018015
COC(=O)c1cc2c([nH]1)C(C(=O)C2)(F)F	PC-id_139034736	215.154	HDZFBFQKGAFVKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018016
COC(=O)c1cc2c([nH]1)CC(=O)C2(F)F	PC-id_139035874	215.154	TUUPIVSNKNPBDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018017
COC(=O)c1cc2C(=O)C(F)(F)Cc2[nH]1	PC-id_59180149,EMOLS-id_323918544,SCHEMBL1003796,MCULE-1516287454	215.154	ZOTKBYZCGYSECE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018018
FC1(F)Cc2n(c(cc2C1=O)C(=O)O)C	SCHEMBL3828553,PC-id_68805232	215.154	XWFLFLFKFRTWQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018019
FC(F)(F)c1oc2c(CCC2)c1CC#N	PC-id_83610560	215.172	FOMMEMFKQVILFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018020
c1(C(F)(F)F)c2CCCc2n(CC#N)n1	PC-id_121214524,MCULE-5680176054,EMOLS-id_70119183	215.175	NASMQJSQPMBALB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018021
FC(F)(F)Cn1nc2CCCc2c1C#N	MCULE-2257486398,EMOLS-id_317868541	215.175	YQYRVYLETADTBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018022
FC(F)c1nn(c2c1CCC2)CC(=O)[O-]	PC-id_42550633	215.177	ZJIPBXQIWJMYGR-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-018023
S1(=O)c2n(C(=O)C1)c(nc2[N+](=O)[O-])C	PC-id_86191736	215.187	APCMYUSTNGFELM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018024
CCOC(=O)c1[nH]c2c(c1)CC(C2)(F)F	PC-id_139035491	215.197	ZUNVTEPWIGXOBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018025
CCCC(=O)c1nn2CCC(c2n1)(F)F	SCHEMBL20228726,PC-id_134577348	215.2	ZJNHGGPUIHSJJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018026
n1(CC(F)F)c2CCCc2c(C=NO)n1	MCULE-6127134356,EMOLS-id_324387161	215.2	HDMCWXWCMWWHHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018027
n1(CC(F)F)nc2c(CCC2)c1C=NO	EMOLS-id_324394322,MCULE-4433596647	215.2	JDOVFHSBBXEEBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018028
n1(CC(F)F)nc2c(CCC2)c1C(=O)N	EMOLS-id_317867515,MCULE-3571131240	215.2	QSXLRDWQSZUBHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018029
[O-]C(=O)c1c(C)nc2n1CCS2(=O)=O	GD-id_ZINC03850554,PC-id_7056952	215.206	SNAXRNFVMSQOJP-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-018030
O1c2n(nnc2C(=O)c2ccccc2)CC1	CHEMBL1221859,PC-id_46934571	215.208	KSZQUBCUDHEMHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018031
COC(=O)c1[nH]cc2c1CS(=O)(=O)C2	PC-id_101124651	215.226	RVJHWVKZRAFTRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018032
S1(=O)(=O)Cc2c(C1)c(oc2C(=O)C)N	PC-id_82393876	215.226	KEZVNSSVXYIGRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018033
S1(=O)(=O)Cc2c(C1)coc2C(=O)CN	PC-id_82613546	215.226	YUWYMSVCYCHQJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018034
S1(=O)(=O)Cc2c([nH]c(c2C(=O)O)C)C1	PC-id_84783869	215.226	RVGWAIUHEXCCKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018035
S1(=O)(=O)Cc2[nH]c(cc2C1)CC(=O)O	PC-id_84783870	215.226	FJZVHTIBDLLSRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018036
CC1(CO)Cn2cc(nc2S1)[N+](=O)[O-]	MCULE-4704221891,EMOLS-id_317502051,PC-id_137628732	215.23	VWFRRQHWKPBTGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018037
O=Cc1nc2n(c1S(=O)(=O)N)CCC2	EMOLS-id_50869430	215.23	JPFWSIPPWRRVSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018038
O/N=C
/n2ccnc2S(=O)(=O)C1(C)C	SCHEMBL10990416	215.23	BYSZTVJYOSMTSV-WEVVVXLNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018039
S1(=O)(=O)CCn2c1nc(c2)C(=O)CN	PC-id_82660850	215.23	MAVWRUDRPQVYNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018040
S1(=O)(=O)CCn2c1nc(c2C(=O)N)C	PC-id_13667183	215.23	CMDRKBIDLQYXBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018041
S1(=O)(=O)C(C(n2c1ncc2)N=O)(C)C	PC-id_54467565	215.23	XFZQMRQZUIDWLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018042
CS(=O)(=O)CCC1CNc2c1coc2	PC-id_112486534	215.269	OKLGSNCFQJTMKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018067
S1(=O)(=O)CCn2nc(cc12)C(=O)CN	PC-id_82660851	215.23	WAIWWNGCLNKUIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018043
S1(=O)(=O)C(C(=NO)n2c1ncc2)(C)C	PC-id_22824253	215.23	BYSZTVJYOSMTSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018044
S1(=O)(=O)CCn2nc(nc12)CC(=N)N	PC-id_83676836	215.233	KBDWNDQBKUPYJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018045
CC1CCc2c1c(CN)nn2CC(F)F	EMOLS-id_331015930,MCULE-5375779128	215.243	USJDAWOGOQZPKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018046
CC1CCc2nn(CC(F)F)c(CN)c12	EMOLS-id_330998970,MCULE-1681445470	215.243	HTVPROMVWROJJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018047
CC(c1nn2c(n1)CCC2C(F)(F)C)C	SCHEMBL20222540,PC-id_134571884	215.243	MKKHVCZOMFLZHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018048
CC(C)n1c2c(CNC2)c(n1)C(C)(F)F	PC-id_90162125,SCHEMBL15723711	215.243	JKALBBMMFNFNLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018049
C[C@@H]1[C@H](C)c2c(C1(F)F)[nH]nc2N(C)C	SCHEMBL16158011,PC-id_117637984	215.243	LIHROCSHERTCDQ-NTSWFWBYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018050
CC(N)(Cc1n[nH]c2CCCc12)C(F)F	EMOLS-id_314014268,MCULE-3760803669	215.243	KGROGWVQXLGENT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018051
NCc1nn(c2c1C(F)(F)CC2)C(C)C	PC-id_105468439	215.243	AVURDFLPXXIQPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018052
CCOC(=O)C1CCc2c1nc(s2)F	SCHEMBL1155871,PC-id_57907588	215.245	RMIKBBHRRQETOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018053
OC(=O)CCc1nc2c(s1)C(CC2)F	PC-id_105468443	215.245	SGOIXMWWFKJSNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018054
c12CSCc1nn(CCF)c2C=NO	EMOLS-id_324402513,MCULE-1996093682	215.248	JHZZJPZQJBRDHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018055
c1ccc(cc1)OCc1onc2c1CCC2	PC-id_20432040,SCHEMBL10935418	215.248	WAIYRCXWLZIKPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018056
S1c2[n+](C(O)C1)cc([nH]2)C(=O)OCC	PC-id_5011008	215.25	WDZQUBGPASRYQW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-018057
c1(C(O)c2ccccc2)nnc2CCCn12	EMOLS-id_324804098,MCULE-4595725294	215.251	SRHUUXQSOLFVMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018058
Nc1noc2CN(Cc3ccccc3)Cc12	PC-id_83849120,EMOLS-id_330497947	215.251	ZBASKQSWJIBGGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018059
o1c2c(nc1Cc1ccc(N)cc1)CNC2	PC-id_83949306	215.251	VWYWPNQZKIFQOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018060
o1nc2C(C(Cc2c1)(C#N)C#N)CC(C)C	PC-id_16084022	215.251	ITPJVPDJPVRZDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018061
o1nc2CN(Cc2c1N)Cc1ccccc1	PC-id_83849121	215.251	STWOXIJIJBIVJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018062
O=c1[nH][nH]c2CN(Cc12)Cc1ccccc1	PC-id_83849123	215.251	XNVUZSXPHBFGNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018063
O(c1n[nH]c2CCCc12)c1cc(N)ccc1	PC-id_82660874	215.251	ORVNMGVZIMOVQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018064
n12n(CCC1)c(nc2=Nc1ccccc1)N	PC-id_21783734	215.254	KFIRXVDQRLRXFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018065
n1c2CCCc2c(CCN=N#N)n1CC#C	PC-id_121214366,MCULE-5018928756,EMOLS-id_70118720	215.254	SYCGAHDIPVDXMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018066
OCC(Cn1sc2c(c1=O)CCC2)O	PC-id_13035399,SCHEMBL10738269	215.269	KBDRDEGNFWVQOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018068
S1(=O)(=O)Cc2c(oc(c2CCN)C)C1	PC-id_84784027	215.269	URFTVDJLXAFNGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018069
S1(=O)(=O)Cc2n(cc(c2C1)C)CCO	PC-id_58730364	215.269	YWXAVZARJMGLCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018070
O=C1/C(=Cc2cccs2)/Cn2c1ccc2	CoCoCo_4612561	215.271	ZYVKDLPBVNOPKN-CLFYSBASSA-N	00000010100100000000000010000000000000000000000000000000	25-01-018071
O=C1C(=Cc2cccs2)Cn2c1ccc2	MCULE-1803206773,PC-id_71899599,EMOLS-id_300778297	215.271	ZYVKDLPBVNOPKN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-018072
O=C1/C(=C/c2cccs2)/Cn2cccc12	ZINC22_25057233,PC-id_24243324,CoCoCo_4612560	215.271	ZYVKDLPBVNOPKN-VQHVLOKHSA-N	00000010100100000000000010000000000000000000000000000000	25-01-018073
Cc1nn(c2c1CN(C2)S(=O)(=O)C)C	SCHEMBL17232681,PC-id_118491664	215.273	VVGWSKFLXBWPJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018074
CCC1c2cn[nH]c2CN1S(=O)(=O)C	SCHEMBL12429278,PC-id_57659792	215.273	WDEBSJYCEIYQJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018075
CCc1n[nH]c2c1CN(C2)S(=O)(=O)C	PC-id_118493338,SCHEMBL17234775	215.273	FRDISWQREVEINY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018076
CCCS(=O)(=O)N1Cc2c(C1)c[nH]n2	MCULE-2885970722	215.273	GHPUYQUPAUUYEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018077
CCN1Cc2c(C1)cn(n2)S(=O)(=O)C	SCHEMBL13563219,PC-id_70938158	215.273	KIMIBOFJUDGESK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018078
CCn1nc2c(c1CN)CS(=O)(=O)C2	PC-id_105468747	215.273	ZDGLMWUDFRBURX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018079
CCS(=O)(=O)c1nc2c(n1C)CNC2	PC-id_118614302,SCHEMBL17380569	215.273	PNOKWAIYIQBLLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018080
CC(S(=O)(=O)N1Cc2c(C1)c[nH]n2)C	EMOLS-id_114738524,MCULE-7822201783	215.273	AOUNHLMSHHWTIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018081
CCS(=O)(=O)N1Cc2c(C1)c([nH]n2)C	SCHEMBL16123825,PC-id_117611718	215.273	NVEVQSWVVKCLJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018082
Cn1nc2c(c1NS(=O)(=O)C)CCC2	MCULE-1747390339,EMOLS-id_102382294	215.273	ARDRQKOUBIRNRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018083
CNc1[nH]nc2c1CCC2S(=O)(=O)C	EMOLS-id_40959470,PC-id_65046297	215.273	QJHIBTJOQUNTSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018084
CN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_102525396	215.273	ZNUDZNVONPXAEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018085
CNS(=O)(=O)Cc1cnc2CCCn12	EMOLS-id_207596210,MCULE-3482539241	215.273	QEEOFVRVXSSRMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018086
CS(=O)(=O)CCc1[nH]c2c(n1)CNC2	PC-id_96611525	215.273	RYAHXUXAESIVJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018087
Nc1nn(c2c1CS(=O)(=O)C2)C(C)C	PC-id_105468739	215.273	DOVRLCVMTDMKRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018088
NCc1nn(c2c1CS(=O)(=O)C2)CC	PC-id_105468740	215.273	ZTSWZWWCNJDDIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018089
S1(=O)(=O)Cc2c(nn(c2N)C(C)C)C1	PC-id_59050152	215.273	FLVQVABXCJOSQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018090
S1(=O)(=O)CCn2c1nc(c2)CCCN	PC-id_82660881	215.273	OOMFAIRZDDCSAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018091
S1(=O)(=O)CCn2nc(cc12)CCCN	PC-id_82660882	215.273	ONKZRUFNKRAJDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018092
S1(=O)(=O)CCn2nc(cc12)CCNC	PC-id_82660880	215.273	CSAZUHNAOHHSSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018093
c1(C(=O)N)c2CSCc2sc1OC	MCULE-3889902457,EMOLS-id_331059754	215.293	POIPPDDDQNAVEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018094
c1(C(=O)OC)c2CSCc2sc1N	MCULE-8810027219,EMOLS-id_331060778	215.293	KBSLTOXWLOSABN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018095
c1(C(=O)OC)sc2CSCc2c1N	MCULE-3009361392,EMOLS-id_330871106	215.293	FKOXCKYOTCWPJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018096
C1Sc2c(C1)c(C(=O)OC)c(N)s2	PC-id_2807692,MCULE-4552767568	215.293	TXXOLZDAFDXBJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018097
CSc1cc2c(s1)CC(N2)C(=O)O	PC-id_70161132,SCHEMBL7681172	215.293	YYEWLIZRFZCNOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018098
CSc1scc2c1CN(C2)C(=O)O	SCHEMBL9239214,PC-id_67803296	215.293	CMYYLAMJLWUSGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018099
CSc1sc(c2c1NCC2)C(=O)O	PC-id_96611484	215.293	GSXKEQCINZBTRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018100
OC(=O)CSc1sc2c(n1)CCC2	EMOLS-id_40428830,PC-id_64307889	215.293	DIWASEIOQZOCRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018101
s1c(c2c(CNC2)c1SC)C(=O)O	PC-id_82393808	215.293	AEPQPVWDAFRIPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018102
S1(=O)(=O)N(/C(=C/C)/c2c1scc2)C	PC-id_10082006	215.293	PSPWZUUCRVACSN-XVNBXDOJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018103
S1(=O)(=O)N(C(=CC)c2c1scc2)C	PC-id_10242396	215.293	PSPWZUUCRVACSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018104
S1(=O)(=O)N(/C(=C/C)/c2sccc12)C	PC-id_10082005	215.293	ZYBCGDPHNVLGSR-ZZXKWVIFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018105
S1(=O)(=O)N(C(=CC)c2sccc12)C	PC-id_10262725	215.293	ZYBCGDPHNVLGSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018106
CC1CCc2c1c(nn2CC1CCC1)C#N	MCULE-2445342971,EMOLS-id_331018495	215.294	JVGASQGXVJCMFS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018107
CC1CCc2nn(CC3CCC3)c(C#N)c12	MCULE-7862906246,EMOLS-id_331004606	215.294	BRXBGGPCIFZUBR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018108
CC(C1CC1)n1nc2CCC(C)c2c1C#N	MCULE-5595910724,EMOLS-id_331005366	215.294	YYLYDZHFXSEKLB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018109
CC(=CC1=C(C)c2c(C1(C)C)cc([nH]2)C)C	PC-id_144194593	215.334	OCELRBGNEGSPCX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018110
CCCCCn1cc2c(c1)CC(=C2)CC=C	PC-id_70163688,SCHEMBL7691252	215.334	PBXVNGZDDSKWBX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018111
CCCCCn1ccc2c1CC(=C2)CC=C	PC-id_70163424,SCHEMBL7690378	215.334	ANAZFIGIMLUWRW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018112
CCCCCn1ccc2c1C=C(C2)CC=C	PC-id_70164062,SCHEMBL7692361	215.334	SZAXIXGFYKGDCY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018113
c1(CNC)c2CSCc2sc1OC	EMOLS-id_331060010,MCULE-5508261661	215.336	CLVXMEYURIPXCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018114
CC(CN1Cc2c(S1=O)ccs2)C	PC-id_58984281,SCHEMBL8283894	215.336	UMZXTZKJSFZTTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018115
CC(CN1Cc2c(S1=O)csc2)C	PC-id_70332515,SCHEMBL8282200	215.336	UODXWNHITSSLJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018116
NCCc1sc(c2c1CCO2)SC	PC-id_96611385	215.336	CYMRGXURWSTGOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018117
s1c2C(OC(c2[nH]c1=S)(C)C)(C)C	EMOLS-id_97125181,PC-id_79926995	215.336	HKDVNWZAFNMOON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018118
CC(C)N1Cc2c(C1)[nH]nc2SS	SCHEMBL20462822,PC-id_135296140	215.339	CIIMHXZYISYALU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018119
C[Si](c1sc2c(n1)CSC2)(C)C	SCHEMBL12622668,PC-id_58280898	215.411	AJWRYLOZVZMFID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018120
Clc1n(cc2C(O)(CCc12)C(=O)O)C	PC-id_83909990	215.634	XKAWXESPQOWBCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018121
Clc1[nH]cc2C(O)(CCc12)CC(=O)O	PC-id_83909989	215.634	RYHGZPZOBPVLKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018122
Clc1oc2c(C(N)(CC2)C(=O)OC)c1	PC-id_83909993	215.634	QPIGSVPATWUHRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018123
Clc1oc2C(N)(CCc2c1)C(=O)OC	PC-id_83909992	215.634	ZYAFXLMQDCRHPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018124
c1(C(N)C(=O)O)n2CCCc2nc1Cl	MCULE-8411039448	215.637	SCHGSHIGYOHKKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018125
CCOC(=O)c1c(nc2n1CCN2)Cl	PC-id_137184448	215.637	JPKRLQILKMPDON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018126
CNC(=O)Nc1cc2n(n1)CCN2Cl	SCHEMBL12532961,PC-id_88932096	215.64	IHOYPZNRHHWMQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018127
Clc1sc2c(N(C(=O)C2)C(=O)C)c1	PC-id_16639217	215.657	BTOGAGQXSOLTOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018128
Clc1sc2N(C(=O)Cc2c1)C(=O)C	PC-id_16639226	215.657	PTNBTBAPZCMUPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018129
ClCc1noc2c1C(C)(C)OC2(C)C	EMOLS-id_114741559,PC-id_80463309	215.677	FPUYRVPIKSNCMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018130
o1c2C(CCN)(O)C(C)Cc2cc1Cl	MCULE-4561571120	215.677	JOFQCVMYGGWPBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018131
c1(C(=O)NC)c2CCCc2sc1Cl	EMOLS-id_331059496,MCULE-6692564627	215.7	RWULQWGEYREESH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018132
c1(C(=O)NC)c(Cl)c2c(CCC2)s1	EMOLS-id_330871616,MCULE-5920961328	215.7	TTZNLFWNXMCDCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018133
CCON=C1CCc2c1cc(s2)Cl	EMOLS-id_114741720	215.7	OEISOZOXCUDBAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018134
CC(=O)NC1CCc2c1cc(s2)Cl	EMOLS-id_96767315	215.7	DOCOLWLXBYXXIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018135
Clc1c2CCCc2sc1C(=O)CN	PC-id_84784514	215.7	KURDUUHSHREYLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018136
ClCC(=O)Nc1sc2CCCc2c1	PC-id_82110552	215.7	HCVKBXUOLAQSOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018137
CC1CC(c2c1c(N)c(s2)Cl)(C)C	PC-id_106664698,EMOLS-id_96721583	215.743	GIEDOYLSJZFDMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018138
CCC1CCc2c1c(CN)c(s2)Cl	PC-id_114748588,EMOLS-id_96637441	215.743	DKLFNRLITQJWJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018139
CCCNC1CCc2c1cc(s2)Cl	EMOLS-id_107663262,PC-id_81251393	215.743	GMIQQLLISVRMJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018140
CCN(C1CCc2c1cc(s2)Cl)C	EMOLS-id_114741996	215.743	NHRRYEMBYCRWKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018141
CC(NC1CCc2c1cc(s2)Cl)C	PC-id_81252152,EMOLS-id_96680008	215.743	BFYUYHOHXSGPJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018142
Clc1c2CCCc2sc1CCCN	PC-id_84784526	215.743	CQHBPMDXRIBNBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018143
Clc1c2CCCc2sc1CCNC	PC-id_84784524	215.743	STONHKSGTOZSNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018144
Clc1c2CCCc2sc1C(CN)C	PC-id_84784527	215.743	FHRKFBANALGXJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018145
Clc1c2CCCc2sc1C(N)(C)C	PC-id_84784536	215.743	KYZZPKHJASKNJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018146
Clc1sc2c(C(C(CN)C)CC2)c1	PC-id_83910005	215.743	PBAQGMFLSYDBEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018147
NCc1c(Cl)sc2c1C(C)(C)CC2	PC-id_114748571,EMOLS-id_96637432	215.743	YXACKPGIPRSTLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018148
C1OC2=CSC(=C2O1)C=CC(=O)Cl	PC-id_154182173	215.965	ZXVCUCLFBOLSEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018149
Brc1[nH]c2c(n1)C(=O)NC2=O	PC-id_83669589	215.992	OUCJISNCILPXEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018150
CCCC1=CC2=C(S1)S(=O)(=O)CC2	PC-id_153882859	216.028	HFKVLPLOEGFJLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018151
CCOC(=O)C1=NN2CCOC2=C1Cl	PC-id_154881949,EMOLS-id_316792619,MCULE-5725107330	216.03	RDDAAMBXUMKCOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018152
Brc1oc2c(N(CC2=O)C)c1	PC-id_82393750	216.032	NTXAMQBXZKEKPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018153
Brc1oc2C(N)CC(=O)c2c1	PC-id_84049400	216.032	DLBFBGMHPQGTTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018154
Brc1oc(c2c1CNC2=O)C	PC-id_82613868	216.032	SRGBIFDMKNQMEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018155
Brc1c(C=O)nc2NCCn12	EMOLS-id_207621119,MCULE-8562354234	216.035	NCVJBVSRUXDIPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018156
Brc1n2CC(N)C(=O)c2nc1	PC-id_84681497	216.035	ZLIPDFUWFWVVRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018157
Brc1n(c2c(n1)CNC2=O)C	PC-id_83669583	216.035	LEBPIHXUCYSPEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018158
Cc1nn2CC(=O)Nc2c1Br	PC-id_136300729	216.035	PVLKPWPZWKDYRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018159
CN1C(=O)Cn2c1ncc2Br	PC-id_105469355	216.035	JGUHASWXISHGQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018160
CCC1N(C2=NNC(=C2S1)NP)C	PC-id_163804268	216.06	NHQJCOCNLOQBSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018161
ClC(Cl)C(=O)c1n2c(C=CC2)cc1	PC-id_12913439	216.064	NHTPNHMFTRBKJQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018162
CC1(CN2C(=C(C=N2)S(=N)(=O)N)O1)C	PC-id_165370228	216.068	HWXDNOXDYCVAHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018163
CC1(COC2=C(C=NN21)S(=N)(=O)N)C	PC-id_165370074	216.068	AWGSTTWYZMBARE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018164
CCOC(=O)C1=C2CC(CN2N=C1)(F)F	EMOLS-id_337163989,PC-id_162349398	216.071	LQGVIWUWVMOWOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018165
CCOC(=O)C1=NNC2=C1C(CC2)(F)F	EMOLS-id_337853800,PC-id_164898250	216.071	KJJKWMRNLFJSTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018166
C1NC2=CSC=C2N1CC3=CC=CC=C3	PC-id_154400240	216.072	GJKQVTRGDGEEDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018167
Brc1c2CN(Cc2oc1C)C	PC-id_84784546	216.075	DUXBFKUNLJYSTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018168
Brc1oc2C(CCc2c1)CN	PC-id_83910015	216.075	KEIYJLCFJHJYMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018169
Brc1oc2c(C(CC2)CN)c1	PC-id_83910014	216.075	OFIUZTGZRYOTPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018170
Brc1oc2CCC(NC)c2c1	PC-id_83910017	216.075	GRTGPMVACMULPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018171
Brc1oc2C(NC)CCc2c1	PC-id_83910016	216.075	IPDSLZBFEDNGGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018172
BrCc1noc2c1CCC2C	PC-id_80463558,EMOLS-id_96428855	216.075	VGPWKQHSWHDWRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018173
Brc1c2N(CCn2nc1C)C	PC-id_83821590	216.078	GRRGUJULWICOBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018174
Brc1n(nc2c1C(N)CC2)C	PC-id_83910023	216.078	VYQULEQAECYELU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018175
Brc1nn(c2CCC(N)c12)C	PC-id_83910024	216.078	OXHBHROXLQGXLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018176
Brc1n[nH]c2CCC(c12)CN	PC-id_83910020	216.078	OMLSBTDSVQHYBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018177
Brc1n[nH]c2CCC(NC)c12	PC-id_83910021	216.078	SWTLHEUWTUJYEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018178
c12CC(C)C(N)c1c(Br)n[nH]2	MCULE-2579497366	216.078	IYOHEKUKSLHMPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018179
c12CN(Cc1nn(C)c2Br)C	MCULE-4385193717,EMOLS-id_317876469,PC-id_105469390	216.078	PSXWTTXFNPMZDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018180
c12CNCc1nn(CC)c2Br	EMOLS-id_324339051,PC-id_105469389,MCULE-3684888102	216.078	ATCJJRJMKRKXPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018181
CCc1nn2CCNc2c1Br	PC-id_136328620	216.078	ZLOSZKXMMARIDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018182
CCn1nc(c2c1CNC2)Br	PC-id_105469384	216.078	VTPZLEJXYVACFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018183
CN1Cc2c(C1)c(nn2C)Br	PC-id_105469385	216.078	ZVHBHHDXWIFIEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018184
Brc1cc2c(s1)C(=C)NC2	PC-id_139307668,SCHEMBL21152476	216.098	HAAWIBRICFZJRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018185
C1CC2=CC(=NN2C1)COC3=CN=CN=C3	MCULE-6465866653,EMOLS-id_317738697,PC-id_154785663	216.101	VOIRQEAICUCMID-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-018186
CC1Pc2c(P1C)c(c([pH]2)C)C	PC-id_90781285	216.137	YZOGXTSMUIQNIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018187
C/C(=CC=C/C(=C)C1=NN=C2N1CCC2)/N	PC-id_155158323	216.137	RRCFNECZSXCPPQ-UTMABKKZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018188
FC(F)(F)Cn1nc2COCc2c1C#C	EMOLS-id_324399198,MCULE-6279016241	216.16	HOEPHYAUEJJLGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018189
PN1Cc2c(C1(C)C)n(nc2N)P	SCHEMBL21288181,PC-id_139428174	216.16	AVFXPCMBBZEABD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018190
c12cc(nn1CCN2CC(F)(F)F)C#N	EMOLS-id_320439320,MCULE-1795598187	216.163	IWLIPSFALJFGCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018191
c12n(CCN1CC(F)(F)F)ncc2C#N	MCULE-9224897088,EMOLS-id_317866224	216.163	JJNQQCLOTHUSDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018192
CC(=C)C1=NN(C2=C1CCC2)CC3(CC3)C	PC-id_153575593	216.163	JDZZCCZXNHIOOP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018193
OC(=O)c1sc(c2c1OCO2)C(=O)O	SCHEMBL8539380,PC-id_12197928	216.168	JABHGNUCPOQSKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018194
CC1Cc2c(C1=O)c(c(s2)P)P	PC-id_142073124	216.177	IGYGZZXEXMGFSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018195
c1(C(F)F)c2CCCc2n(CC(=O)O)n1	MCULE-9491367686,EMOLS-id_859451,PC-id_19614722,ZINC22_12351646,CoCoCo_6650735	216.185	ZJIPBXQIWJMYGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018196
C[C@@H]1[C@H](C)c2c(C1(F)F)[nH]nc2C(=O)O	PC-id_117637982,SCHEMBL16158009	216.185	LSUAQBPDNLHMEF-IUYQGCFVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018197
CCOC(=O)c1nn2c(c1)CC(C2)(F)F	PC-id_139451471,SCHEMBL21315317	216.185	VWZPMFOIBUJTIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018198
CCOC(=O)c1n[nH]c2c1CCC2(F)F	PC-id_145080773	216.185	CZKFWSYULVYGBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018199
Cn1nc2CCCc2c1C(F)(F)C(=O)O	EMOLS-id_259658920,MCULE-4945179072	216.185	RGLQURPLMOCBJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018200
n1(CC(F)F)nc2c(CCC2)c1C(=O)O	EMOLS-id_317868539,MCULE-1585938312	216.185	JELSQEAXONQSDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018201
OC(=O)CC(F)(F)c1n[nH]c2CCCc12	EMOLS-id_314011191,MCULE-8211045790	216.185	SUHGJEUXIWASKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018202
OC(=O)C(F)(F)Cc1cnc2CCCn12	EMOLS-id_259660599,MCULE-6077444996	216.185	YLCBTGJJXQRMHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018203
OC(=O)C(F)(F)Cc1n[nH]c2CCCc12	MCULE-6883686561,EMOLS-id_314015289	216.185	OZLBTVJPTTUGFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018204
O=C1c2[nH]c(Cc3[nH]ncc3)cc2NC1=O	PC-id_77703323	216.196	IHLUFXADIRCRCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018205
O=C1c2[nH]c(Cn3ccnc3)cc2NC1=O	PC-id_77624497	216.196	XSTIBFXQVBXPCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018206
O=C1c2[nH]c(Cn3nccc3)cc2NC1=O	PC-id_77624498	216.196	BVFJNEVTNRUSEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018207
S1CCn2c1npc2C(=O)OCC	PC-id_638914	216.197	JCKJQIBFHPCKJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018208
Cc1sc2c(c1C)C(=O)C(C2=O)(F)F	PC-id_59601150,SCHEMBL12972997	216.205	FXWNEAYGBFUGNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018209
O=C1c2c(C)sc(c2C(=O)C1(F)F)C	SCHEMBL10037340,PC-id_58401161	216.205	LUHGFSNHXYXVDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018210
S1(=O)(=O)Cc2c(C1)coc2CC(=O)O	PC-id_82613901	216.211	ZFELSCUBWNNHPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018211
S1(=O)(=O)Cc2c(oc(c2)CC(=O)O)C1	PC-id_84784611	216.211	PPGUMYOURAGIKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018212
S1(=O)(=O)Cc2c(oc(c2C(=O)O)C)C1	PC-id_84784609	216.211	NJNIHTMJYHGQRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018213
Cc1nc2n(c1C(=O)O)CCS2(=O)=O	ZINC22_3850554,CNP0467402,MDPI-id_18627,EMOLS-id_5865897,SPECS-id_AT-819/OC08134,PC-id_2754487	216.214	SNAXRNFVMSQOJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018214
OC(=O)c1n(C)nc2c1CS(=O)(=O)C2	PC-id_105469494	216.214	NWUHYYKEXWFCRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018215
OC(=O)c1nn(c2c1CS(=O)(=O)C2)C	PC-id_105469493	216.214	GPLHNANAQIOPMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018216
S1(=O)(=O)CCn2c1nc(c2)CC(=O)O	PC-id_82660922	216.214	UAGVYZNNOHONAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018217
S1(=O)(=O)CCn2nc(cc12)CC(=O)O	PC-id_82660923	216.214	QITLGGWMSFHNTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018218
O=C(S(=O)(=O)N)c1n[nH]c2c1CNC2	PC-id_142735023	216.218	MUXXDKGKPJCFRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018219
c1(C(F)F)c2CCCc2n(CCCO)n1	EMOLS-id_252355994,MCULE-7161837669,ZINC22_685936674	216.228	PIINEEYAOIYCGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018220
CC1CCc2c1c(CO)nn2CC(F)F	EMOLS-id_331010804,MCULE-6199971055	216.228	WMTLGOTYORYZHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018221
CC1CCc2nn(CC(F)F)c(CO)c12	EMOLS-id_330994868,MCULE-7942086229	216.228	WMIALEMRWINTIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018222
CC(C)n1c2c(COC2)c(n1)C(C)(F)F	PC-id_90162129,SCHEMBL15723715	216.228	MYWSPWVURLXQNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018223
OCc1nn(c2c1C(F)(F)CC2)C(C)C	PC-id_105469499	216.228	VNCIAHMBQYESRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018224
c12c(CNC)cnn1CCN2CC(F)F	MCULE-8307932295,EMOLS-id_317866736	216.231	MEZOHOORUSCJRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018225
c1(C(=O)O)c2CSCc2nn1CCF	EMOLS-id_324396378,MCULE-7426725558	216.233	NLGSKQKCQZJIBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018226
COc1c(O)sc2c1SC(=O)C2=O	PC-id_101929955	216.234	CFWNYSFILBIQMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018227
c1ccc(cc1)OCc1oc2c(n1)CNC2	SCHEMBL156182,PC-id_66608477	216.236	AVCLIIKRCIERKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018228
C=CCc1c2c(c([nH]1)O)C(=NC2=O)CC=C	PC-id_136381972	216.236	GBXSAXZYGOILAY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018229
o1[nH]c2CN(Cc2c1=O)Cc1ccccc1	PC-id_83849152	216.236	IZVFGLIWHGBUSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018230
c1ccc(OCc2n[nH]c3c2CNC3)nc1	PC-id_97406040,EMOLS-id_46183461,ZINC22_96086724	216.239	ISYGBRMUGRWHJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-018231
C1C(Cn2c1ncc2)Oc1c(cncc1)N	PC-id_90209596,SCHEMBL15990783	216.239	RYUAFRBESQOWKC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-018232
Nc1cnccc1O[C@H]1Cn2c(C1)ncc2	SCHEMBL15784060	216.239	RYUAFRBESQOWKC-MRVPVSSYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-018233
O=C(N1CCn2c1ncc2)c1cc[nH]c1C	MCULE-3786604745,EMOLS-id_320022373	216.239	USVISFQORANGLX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-018234
Cc1ccnc(n1)Nc1n[nH]c2c1CNC2	PC-id_118525396,SCHEMBL17275089	216.242	LHEKYASYAYKDIX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-018235
CCCC1c2occ(c2OS1(=O)=O)C	SCHEMBL20928873,PC-id_138570903	216.254	UOPLAYFUBUQZCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018236
Fc1ccccc1Cc1n[nH]c2CCCc12	EMOLS-id_337935124	216.254	SGSKCHDGXGIIGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018237
Fc1ccccc1Cn1ncc2c1CCC2	PC-id_141384480	216.254	LQURFWHZAITYSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018238
Fc1ccc(Cc2n[nH]c3CCCc23)cc1	EMOLS-id_337935637	216.254	WWOLZALNGQSCPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018239
Fc1cccc(Cc2n[nH]c3CCCc23)c1	EMOLS-id_337933333	216.254	ORRUTDXERJPGIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018240
CC(n1[nH]c(=O)c2c1CS(=O)(=O)C2)C	PC-id_105469792	216.257	UEKFUFDQAPTOQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018241
OCCn1nc(c2c1CS(=O)(=O)C2)C	SCHEMBL8270935,PC-id_59540027	216.257	HPECGHBOQWJXHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018242
S1(=O)(=O)Cc2[nH]n(c(=O)c2C1)C(C)C	PC-id_59050168	216.257	LDASAOOUSYHWJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018243
S1(=O)(=O)CCn2c1nc(c2)CC(O)C	PC-id_83675642	216.257	ZMRHTKBXFVQKSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018244
S1(=O)(=O)CCn2nc(cc12)CC(O)C	PC-id_83675640	216.257	DKKOVEWITUWJQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018245
c1cn(cc1)C=C1c2c(NC1=O)scc2	PC-id_91269179	216.259	XYZBNKIFEZLHJA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018246
N#CC(C(=O)c1sc2c(c1)CCC2)C#N	EMOLS-id_42071666,PC-id_79168772	216.259	DBQTUORVRKDLGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018247
O=C1Nc2c(/C/1=Cc1[nH]ccc1)ccs2	PC-id_17932460,SCHEMBL6627546	216.259	OHKAEFOIJCVKDE-RMKNXTFCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018248
O=C1Nc2c(/C/1=C/c1[nH]ccc1)ccs2	SCHEMBL6627542	216.259	OHKAEFOIJCVKDE-TWGQIWQCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018249
O=C1Nc2c(C1=Cc1[nH]ccc1)ccs2	SCHEMBL6627549,PC-id_67551105	216.259	OHKAEFOIJCVKDE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018250
CCNS(=O)(=O)N1Cc2c(C1)c[nH]n2	MCULE-9303166792	216.261	AOGAWMAIWGQYGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018251
CCNS(=O)(=O)n1cc2CNCc2n1	SCHEMBL14937710,PC-id_89558452	216.261	MCVMIGPERYCGTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018252
CN(S(=O)(=O)N1Cc2c(C1)c[nH]n2)C	EMOLS-id_114743184,MCULE-6841949526	216.261	QCFWJMAPKKHMLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018253
NCCS(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-3221421142,EMOLS-id_107541770	216.261	WLEKRACOBUSUFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018254
S1(=O)(=O)CCn2nc(nc12)CCCN	PC-id_82660972	216.261	FJWMKGBYJKJAJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018255
N#CC(=CNc1sc2c(n1)CCC2)C#N	SCHEMBL10996172,PC-id_8198466	216.262	KGDDEJMSQSBQPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018256
C1c2c(CS1=O)sc(c2)COC=O	PC-id_88938417,SCHEMBL12622632	216.277	YNJQUBCARFQODY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018257
c1(C(=O)O)c2CSCc2sc1OC	EMOLS-id_331061545,MCULE-8201007027	216.277	CGAQSWJIHFWJAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018258
CC(=O)c1sc2c(c1)S(=O)(=O)CC2	PC-id_96611152	216.277	HIHVJJNPXIUOIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018259
CC(=O)c1scc2c1CS(=O)(=O)C2	PC-id_96611151	216.277	QMPNBQCKQAIRNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018260
COC(=O)c1sc2c(c1)C[S+](C2)[O-]	CHEMBL1496925,PC-id_3238334,ChEMBL-DNDi_CHEMBL1496925,SCHEMBL15478505	216.277	BZGCGGBMHNVJPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018261
COC(=O)c1sc2c(c1)C[S@@](=O)C2	CoCoCo_2675577	216.277	BZGCGGBMHNVJPN-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018262
COC(=O)c1sc2c(c1)C[S@](=O)C2	CoCoCo_2675578	216.277	BZGCGGBMHNVJPN-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018263
COC(=O)c1sc2c(c1O)CSC2	SCHEMBL9138480,PC-id_54728677	216.277	GZPMADSAACMFNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018264
S1c2c(sc(c2O)C(=O)OC)CC1	PC-id_54697216	216.277	CFOFPYCVFOKONY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018265
s1c(c2c(COC2)c1SC)C(=O)O	PC-id_82393650	216.277	UFQOXLVYJAFRBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018266
C#Cc1c2COCc2nn1CC1CCCC1	EMOLS-id_324402013,MCULE-4006796100	216.279	OTDAVGBPTUVEQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018267
OCCC1/C(=C/C=CC)/C(=C)c2n1cnc2	PC-id_145402191	216.279	FBAUTBTVPPWBSB-LDTZZKCISA-N	00000010100000000001000010000000000000000000000000000000	25-01-018268
c1(N(=O)=O)c(CN)sc2CSCc12	EMOLS-id_330873668,MCULE-4462002484	216.281	WXXQFVKMYSWLGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018269
CCN=C1c2cscc2S(=O)(=O)N1	PC-id_136444928	216.281	XSNMWOUOEZNFTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018270
c1ccc(cc1)OC1CCc2c1ccs2	PC-id_141092241	216.299	VJGQSVAFFBSOJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-018271
c1ccc(cc1)Cc1c[nH]c2c1SCN2	SCHEMBL12963844,PC-id_70810222	216.302	AFESATXLYNLFAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018272
c1ccc(cc1)Nc1sc2c(n1)CCC2	PC-id_956378,EMOLS-id_313679983	216.302	LHOFDOIVFLDXDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018273
c1ccc(N=c2scc3n2CCC3)cc1	ZINC22_1775938105	216.302	FVUNBNROYMBAHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018274
S(=O)(C1(SC)Cc2c(C1)coc2)C	PC-id_12755557	216.32	FUKFSUICRKBPDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018275
c12C(C)(C#N)CC(C)(C)c1c(n(C)c2C)C	SCHEMBL11342271,PC-id_12369121,EMOLS-id_195364559,MCULE-3672450539	216.322	PREBEQZFUOXVSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018276
n1(c(c2C(C(Cc2c1C#N)(C)C)(C)C)C)C	PC-id_70621918,SCHEMBL11619276	216.322	VRCJRTVRTSHYPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018277
NCCn1c(=S)n2n(c1=S)CCC2	PC-id_101630122	216.327	ZOTIHOCKOLYYDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018278
Clc1oc2c(C(O)(CC2)CC(=O)O)c1	PC-id_83910058	216.618	BOJISTCGTKEUSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018279
Clc1oc2C(O)(CCc2c1)CC(=O)O	PC-id_83910057	216.618	ICADCCJKHHKDBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018280
o1c2CC(C)C(O)(C(=O)O)c2cc1Cl	MCULE-7563522535	216.618	AUCTZHVDTLELEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018281
Clc1sc2C(CC(=O)c2c1)C(=O)O	PC-id_82647644	216.642	XYEVXBLEEMCMAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018282
Clc1sc2c(N(C(=O)C2)C(=O)N)c1	PC-id_49875293	216.645	NIGPGFNQSSTING-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018283
Clc1sc2N(C(=O)Cc2c1)C(=O)N	PC-id_16639234	216.645	MHCQKUZIHRRAAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018284
CC1CCc2c1c(CCl)nn2CCF	MCULE-4030410356,EMOLS-id_331029253	216.683	AZRPARJGNSUAKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018285
CC1CCc2nn(CCF)c(CCl)c12	EMOLS-id_331010485,MCULE-9165296646	216.683	ZWRZPPWWHCSUIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018286
c1(C(=O)OC)c2CCCc2sc1Cl	EMOLS-id_331061287,MCULE-3035573710	216.685	HQLCMEGAXPIVFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018287
CC1CCc2c1c(C(=O)O)c(s2)Cl	EMOLS-id_96637324,PC-id_114748439	216.685	XUBDFTAPXCFGFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018288
CC(=O)OC1CCc2c1cc(s2)Cl	EMOLS-id_114745254	216.685	RFDDGLAARUFOOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018289
Clc1c2CCCc2sc1CC(=O)O	PC-id_84785013	216.685	XDQJNGLWCFZGFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018290
Clc1sc2C(CCc2c1)CC(=O)O	PC-id_83910061	216.685	DQDOZWVSQALAPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018291
Clc1sc2c(C(CC2)CC(=O)O)c1	PC-id_83910062	216.685	DFCOFJUYGUBSAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018292
COC(=O)c1c(Cl)c2c(CCC2)s1	EMOLS-id_259749945,MCULE-1321372730	216.685	SXZCMZBJLWQDRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018293
c12CN(Cc1sc(Cl)c2C(=O)N)C	MCULE-1192490079,EMOLS-id_331066665	216.688	IKDASBUQEJBWJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018294
c1(C(=O)NC)c2CNCc2sc1Cl	EMOLS-id_331064622,MCULE-3432356872	216.688	QTKCAVRLLHIKGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018295
c1(C(=O)N)sc2CN(Cc2c1Cl)C	MCULE-7232597943,EMOLS-id_330871367	216.688	GSQLPDJRELNITI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018296
ClCC(=O)Nc1nc2CCCc2s1	MCULE-8258868000,PC-id_52176015,EMOLS-id_36083969	216.688	JRHGKKOMFOJBAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018297
NC(=O)NC1CCc2c1cc(s2)Cl	EMOLS-id_96726623	216.688	WOTQUHHFTAPGGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018298
c12CN(Cc1sc(Cl)c2CNC)C	EMOLS-id_331066921,MCULE-3327819969	216.731	MTCGBMWCMUCFQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018299
c12CN(Cc1sc(CNC)c2Cl)C	MCULE-8731720590,EMOLS-id_330871623	216.731	KRIMXORSZCTATE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018300
CCCCn1nc2c(c1Cl)CSC2	PC-id_83193433,EMOLS-id_107499631	216.731	QGCJNGUPBHXNSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018301
CC(Cn1nc2c(c1Cl)CSC2)C	EMOLS-id_114745562,PC-id_83192134	216.731	RXYOTFJIGBUXAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018302
CCC(n1nc2c(c1Cl)CSC2)C	PC-id_83193434,EMOLS-id_107688702	216.731	XZSHBSYDJHNERE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018303
Clc1c2CSCc2nn1C(C)(C)C	PC-id_83191819,EMOLS-id_107688370	216.731	WDTAYWLQYKPXKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018304
Clc1sc2CCC(NN(C)C)c2c1	PC-id_83003850,EMOLS-id_107587090	216.731	TWHPUZOUEOMZRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018305
Clc1sc2c(C(NCCN)CC2)c1	PC-id_81253004,EMOLS-id_107620968	216.731	RPRFWWDXZHWIJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018306
CC1=C(c2c(C1SCl)scc2)C	SCHEMBL11982427,PC-id_88863492	216.751	LELPWOBLJKNSJR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018307
Brc1c2OCCn2nc1C=O	PC-id_84041497	217.02	OOLOJMIZWOQRRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018308
Brc1n2CCOc2nc1C=O	PC-id_83486269	217.02	UCFBVGXVLLTTSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018309
Brc1nc2OCCn2c1C=O	PC-id_83486270	217.02	NCTZWEXVUOWYJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018310
CS(=N)(=O)NC1=NC2=C(S1)CCC2	MCULE-4542627955,PC-id_164648410	217.034	NELNMMWNSTVIPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018311
C1CC2=CC=C(N2C1)C(=O)C3=CC=CS3	PC-id_153747007	217.056	CYDKWCSPWIHYCG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-018312
Brc1c(CO)nn2CCCc12	EMOLS-id_317496576,SCHEMBL3793695,PC-id_68789836,MCULE-8459458202	217.063	VAFDMOXYECYLQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018313
Brc1cnn2C(C)(C)COc12	EMOLS-id_337428444,MCULE-7729155969	217.063	BRJZRGWDSUKRAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018314
Brc1n2CCCc2nc1CO	PC-id_84682398	217.063	OBFKMFVARJFZTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018315
Brc1nc2n(CCC2)c1CO	PC-id_84682397	217.063	KMWQBMOJULTIFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018316
c1(CO)c2CCCn2nc1Br	EMOLS-id_317769339,MCULE-1198736251	217.063	LLRJZMQAOAWPHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018317
CC1(C)Cn2ncc(Br)c2O1	EMOLS-id_324016771	217.063	HQVAPCLIDNWBET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018318
Cc1nn2CCC(O)c2c1Br	EMOLS-id_324576051	217.063	HHBCVKGDQOSLII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018319
C[C@]1(O)CCn2cc(Br)nc12	EMOLS-id_337431256	217.063	PVKZTFWKCAJMPA-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018320
C[C@@]1(O)CCn2cc(Br)nc12	EMOLS-id_337431768	217.063	PVKZTFWKCAJMPA-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018321
CC1(O)CCn2cc(Br)nc12	PC-id_139466994,EMOLS-id_337431512,SCHEMBL21332639	217.063	PVKZTFWKCAJMPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018322
CCn1nc2c(c1Br)COC2	PC-id_105470569	217.063	POEOKPHLNUKFBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018323
CCn1nc(c2c1COC2)Br	PC-id_105470565	217.063	OPSOOWRIQGPFIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018324
c12N(C)CCn1nc(Br)c2N	MCULE-4231448532,EMOLS-id_320440855	217.066	HLFYURGYFFZITC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018325
NCc1nc2NCCn2c1Br	MCULE-2040818010,EMOLS-id_207621128	217.066	YSBBPNDKWPMWFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018326
BrC1Cc2c(C1=O)scc2	SCHEMBL19129357	217.083	CJTCYTCRKKBZBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018327
Brc1cc2C(=O)CCc2s1	EMOLS-id_56970036,PC-id_82393560,MCULE-5845883723,ZINC22_82369408	217.083	YSGWNYYXJIIWDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018328
BrC1Cc2sccc2C1=O	EMOLS-id_1966070,CNP0063440,PC-id_3681168,MCULE-3776773044	217.083	LXOWTJOHNVUDAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018329
BrC1CC(=O)c2sccc12	PC-id_11096041	217.083	LSKGMJDCRAPFRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018330
Brc1scc2c1CCC2=O	PC-id_82393559	217.083	IUZIOECCANHAPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018331
Br[C@H]1Cc2c(C1=O)ccs2	CoCoCo_6706108,PC-id_7034579	217.083	LXOWTJOHNVUDAI-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018332
Br[C@@H]1Cc2c(C1=O)ccs2	PC-id_7034580,CoCoCo_6706109	217.083	LXOWTJOHNVUDAI-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018333
c12C(=O)CCc1cc(Br)s2	PC-id_83679207,MCULE-5106748656,SCHEMBL17865606	217.083	IBYQLKXFVXXTNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018334
C1C(Nc2c1nc[se]2)C(=O)O	PC-id_87226469	217.084	XIBXTPVNYNZIRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018335
C1C(Nc2c1[se]cn2)C(=O)O	PC-id_87226533	217.084	XULWWPZHKGTJEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018336
C1CC2=C(C1)NN=C2C(=O)NC3=CC=NN3	PC-id_154805792	217.096	ANWSGZTVLVQFMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018337
BrCc1cc2CCCc2s1	MCULE-1919411119,EMOLS-id_39326022,PC-id_62726946	217.126	JJYGULMUAXUVLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018338
BrCc1csc2CCCc12	PC-id_71670947,EMOLS-id_331062309,MCULE-4961475220	217.126	GPFKGLQASDPMKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018339
CC1Cc2c(C1)cc(s2)Br	PC-id_143918534	217.126	GLXKCLQZDMJJDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018340
CC1Cc2c(C1)c(cs2)Br	PC-id_89828366,SCHEMBL15290382	217.126	TXZACDNMEWURRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018341
FC(F)(F)C(=O)n1cc2c(CC(=O)C2)c1	PC-id_53302212	217.145	UZXUQEJCZYEPBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018342
OC(=O)c1cc2c(o1)C(=O)NS2(=O)=O	EMOLS-id_208098631,MCULE-4164691468	217.156	XLELIYYTHZOOPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018343
CCOC(=O)c1cc2c([nH]1)C(CO2)(F)F	PC-id_57659963,SCHEMBL12777556	217.169	YLJYDPNMMCHOKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018344
COC1c2cc([nH]c2CC1(F)F)C(=O)O	SCHEMBL1003198,PC-id_59180220	217.169	AKEUWEQSMFAVTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018345
c12CN(Cc1n[nH]c2C(F)F)CC(=O)O	MCULE-1502296220,EMOLS-id_317870326	217.173	REDIQADZDBNORD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018346
c12CN(Cc1n[nH]c2C(=O)O)CC(F)F	MCULE-2257721854,EMOLS-id_317873909	217.173	GIBAGDRSBIYWGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018347
c12n(CCN1CC(F)F)ncc2C(=O)O	MCULE-9605849214,EMOLS-id_317862399	217.173	HVLXYGRMYNXSGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018348
c12N(CCn1nc(C(=O)O)c2)CC(F)F	EMOLS-id_317876468,MCULE-5281464711	217.173	GAGBWFIYZWKEJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018349
c1(C(F)F)nn(c2CNCc12)CC(=O)O	EMOLS-id_317874161,MCULE-5342383235	217.173	NHXGWYMLUUEZKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018350
CC(C1CCc2nc(nn12)C(=O)O)(F)F	PC-id_134563826,SCHEMBL20213456	217.173	MALYUDVOXHOUEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018351
n1(CC(F)F)nc2c(COC2)c1C=NO	MCULE-1185811809,EMOLS-id_324400989	217.173	CJBMBKVLMJHUNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018352
o1c(CN2C(=O)c3[nH]cnc3C2=O)ccc1	PC-id_24180164	217.181	ONXMFUQQTRJPRV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-018353
O=Cc1[nH]c2c(c1C(F)(F)F)CC(C2)C	PC-id_144126422	217.188	PREAJEJVPHDQIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018354
O=C(C(F)(F)F)c1cc2n(c1C)CCC2	PC-id_101875166	217.188	DNNOFAAISOPHAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018355
c12CSCc1c([se]c2C)C	PC-id_5058814,EMOLS-id_13729654,MCULE-5204061479,SPECS-id_AI-942/25034600	217.19	DFEOKRRSFNPXLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018356
c12C[Se]Cc1c(sc2C)C	MCULE-7201566333,PC-id_4056619,SPECS-id_AI-942/25034601,EMOLS-id_13729656	217.19	XFEWKTWMFFCQCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018357
S1(=O)(=O)Cc2c(C1)c(oc2C(=O)O)N	PC-id_84016007	217.199	BHRXDABXXSOZPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018358
S1(=O)(=O)CCn2c1nc(c2[N+](=O)[O-])C	PC-id_85548842	217.202	JOHFRGVBRJUZBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018359
o1c2c(CCC2)c(c1N)C(=O)c1occc1	PC-id_83447120	217.221	YOJFQFVTARYLMV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018360
Cc1coc(c1)C(=O)N1Cc2c(C1)cn[nH]2	MCULE-7675542941,EMOLS-id_316433838	217.224	NAUCNVQPJUQEMM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-018361
c1(C(=O)Nc2[nH]ccn2)c2CCCc2[nH]n1	EMOLS-id_323258033,MCULE-3650658332	217.227	BGYUSHWLKXMOBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018362
Cc1c[nH]nc1C(=O)N1CCn2c1ncc2	EMOLS-id_279043804	217.227	BWONJVKMFONMNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018363
Cn1ccnc1C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319828545	217.227	IZVCFCQVECZPTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018364
S1(=O)(=O)Cc2n(C1)cc(c2CO)CO	PC-id_86156849	217.242	MVMCYAOAJTYEEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018365
c1c[nH]c(c1)C=C1C(=O)c2c(O1)ccs2	PC-id_134821243	217.244	SHEKTFZORJTSKD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018366
[C-]#[N+]/C(=C
/C=Cc2c1sc(c2)C)/C(=O)O	PC-id_140738365	217.244	MYPFUOBGGJXSEL-HJWRWDBZSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018367
N#C/C(=C
/C=Cc2c1sc(c2)C)/C(=O)O	SCHEMBL18090911,PC-id_122552296	217.244	GZFSFNNLDYJHLB-CMDGGOBGSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018368
O=C1Nc2c(/C/1=Cc1ccco1)ccs2	PC-id_22976060,SCHEMBL7144362	217.244	FLUHLWGBQIPKCV-RMKNXTFCSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018369
O=C1Nc2c(/C/1=C/c1ccco1)ccs2	SCHEMBL7144357	217.244	FLUHLWGBQIPKCV-TWGQIWQCSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018370
O=C1Nc2c(C1=Cc1ccco1)ccs2	SCHEMBL7144365,PC-id_59043153	217.244	FLUHLWGBQIPKCV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018371
NCCn1[nH]c2c(c1=O)CS(=O)(=O)C2	PC-id_105470940	217.246	ZHLFHNXJKPTJNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018372
NS(=O)(=O)OCc1n[nH]c2CCCc12	MCULE-2835698546,EMOLS-id_314018755	217.246	BSKBPVKJORUNLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018373
OC[C@H]1NCc2c1cnn2S(=O)(=O)C	PC-id_141411253	217.246	LRIUYCGZVXEEBE-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018374
OC[C@@H]1NCc2c1cnn2S(=O)(=O)C	PC-id_141411256	217.246	LRIUYCGZVXEEBE-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-018375
OCCn1nc2c(c1N)CS(=O)(=O)C2	PC-id_105470935	217.246	GDLZAXJKRYBCLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018376
OCCn1nc(c2c1CS(=O)(=O)C2)N	PC-id_105470936	217.246	NLJAWARKAFATIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018377
OCCS(=O)(=O)N1Cc2c(C1)c[nH]n2	MCULE-4102738698,EMOLS-id_313628480	217.246	DIJHBRMVDYZVHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018378
S1(=O)(=O)CCn2c1nc(c2)C(N)CO	PC-id_82661168	217.246	PBTYNQCZDDQNEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018379
S1(=O)(=O)CCn2nc(nc12)CC(O)C	PC-id_83675643	217.246	JEGZXCAHYZVNOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018380
c1csc2c1/C(=Cc1ncc[nH]1)/C(=O)N2	PC-id_136461091,SCHEMBL7152019	217.247	ZZQIVALBRBXHRM-FNORWQNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018381
c1csc2c1C(=Cc1ncc[nH]1)C(=O)N2	PC-id_136660956,SCHEMBL7152020	217.247	ZZQIVALBRBXHRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018382
c1csc2c1/C(=C/c1ncc[nH]1)/C(=O)N2	SCHEMBL7152015,PC-id_135783921	217.247	ZZQIVALBRBXHRM-ALCCZGGFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018383
O=C1Nc2c(/C/1=Cc1c[nH]cn1)ccs2	PC-id_18626994,SCHEMBL7151663	217.247	AVIQSXOJVLTPRS-FPYGCLRLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018384
O=C1Nc2c(/C/1=C/c1c[nH]cn1)ccs2	SCHEMBL7151658	217.247	AVIQSXOJVLTPRS-BAQGIRSFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018385
O=C1Nc2c(C1=Cc1c[nH]cn1)ccs2	SCHEMBL7151665,PC-id_22976039	217.247	AVIQSXOJVLTPRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018386
s1c2=NC(=O)C(=c2cc1)C=C1NC=CN1	PC-id_18627028	217.247	LNXJPOOHCPWUAP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018387
CC(C1C=Cn2c1ccc2)OC(=O)C(=C)C	PC-id_141245321	217.264	FMIJHMNIWWTPNR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018388
CCOC(=O)C=CC1C(=Cc2cccn12)C	PC-id_90471314	217.264	LNVQZAAARNCFBK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018389
c1(N(=O)=O)c(CO)sc2CSCc12	EMOLS-id_330873412,MCULE-3198403655	217.265	DRNSFCCMLOQIKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018390
Cc1sc2c(c1C)C(=O)NS2(=O)=O	SCHEMBL11052391,PC-id_20471875	217.265	AYJBBGBSFGTACW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018391
Cc1sc(C)c2c1C(=O)NS2(=O)=O	PC-id_16640273,MCULE-7429738588,EMOLS-id_277302735	217.265	HQMACVBLJPOZQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018392
CCc1cc2c(s1)C(=O)NS2(=O)=O	EMOLS-id_276897515,MCULE-6000957592	217.265	GCFUIHBPUCWBIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018393
CCc1cc2c(s1)S(=O)(=O)NC2=O	SCHEMBL11048369,PC-id_20471865	217.265	HYUMQPHCOCCQBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018394
CCN1C(=O)c2sccc2S1(=O)=O	EMOLS-id_48361012,PC-id_92174344	217.265	KCOZUHOFUIKPDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018395
CN1C(=O)c2cc(C)sc2S1(=O)=O	EMOLS-id_48361673,PC-id_13869333	217.265	BBHBXCFWLSTOIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018396
O=Cc1sc(c2c1CS(=O)(=O)C2)N	PC-id_96610623	217.265	WGKFHVKTCSEXRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018397
S1(=O)(=O)N=C(OC)c2c1sc(c2)C	PC-id_13869334	217.265	QMUFPFSYOWZWMI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018398
S(=O)(=O)(N1c2sccc2CC1=O)C	PC-id_10954997	217.265	MCWNOAOPJIAYDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018399
CN1CCn2c1c(cc2)C(c1ccco1)N	PC-id_112486359	217.267	MKILOHHLMVJHFU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-018400
N(Cc1n[nH]c2c1CCC2)Cc1ccco1	PC-id_61395251,EMOLS-id_38281123	217.267	BFJPVTLZAPBUDH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-018401
O=C(c1n[nH]c2c1CCC2)N1CC2C(C1)C2	PC-id_146108035,MCULE-7042288279,EMOLS-id_324044151	217.267	HWJGUAQGWWAUOX-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-018402
O=C(c1n[nH]c2c1CCC2)N1C[C@H]2C[C@@H]2C1	ZINC22_628505483	217.267	HWJGUAQGWWAUOX-HTQZYQBOSA-N	00100010100000000001010010000000000000000000000000000000	25-01-018403
O=C(c1n[nH]c2c1CCC2)N1C[C@H]2C[C@H]2C1	ZINC22_628505484	217.267	HWJGUAQGWWAUOX-OCAPTIKFSA-N	00100010100000000001010010000000000000000000000000000000	25-01-018404
O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2C[C@H]2C1	ZINC22_628505485	217.267	HWJGUAQGWWAUOX-YUMQZZPRSA-N	00100010100000000001010010000000000000000000000000000000	25-01-018405
CSC1Nn2c(S1)nc(c2)C(=O)O	SCHEMBL19597802	217.269	ZEVPDFHIBRLXIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018406
S1NSc2nn(c(c12)C(=O)OC)C	PC-id_70378422	217.269	PIGIUZJUVYAXNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018407
c1(Cn2c(C)cc(C)n2)nnc2CCCn12	ZINC22_1775986170,MCULE-3365687207,EMOLS-id_316295786	217.27	YRVBCOVYWSODNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018408
CC(CNC1CCc2c1scc2)(F)F	EMOLS-id_107821693	217.279	JWNFAYGMARVNOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018409
CC(N)(C(F)F)c1cc2CCCc2s1	MCULE-2371078385,EMOLS-id_314043966	217.279	OQBURTFVPWLFTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018410
FC(CNCc1csc2c1CCC2)F	PC-id_114749130	217.279	YSWBCQWEOGKXNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018411
FC(CNCc1sc2c(c1)CCC2)F	PC-id_61206863,EMOLS-id_38138627	217.279	AYQBBZLJNJJNCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018412
NC(Cc1cc2CCCc2s1)C(F)F	EMOLS-id_314042174,MCULE-4937916954	217.279	SHLHQIYBJHXVKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018413
NCCC(F)(F)c1cc2CCCc2s1	EMOLS-id_313983041,MCULE-1472337625	217.279	QQRZZBFXWQZUCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018414
NCC(C(F)F)c1cc2CCCc2s1	EMOLS-id_313983299,MCULE-6841867556	217.279	DVKZMPXAPRLWPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018415
NCC(F)(F)Cc1cc2CCCc2s1	EMOLS-id_314044222,MCULE-1127253757	217.279	HESSHEAUTQGPRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018416
O=C(c1[nH]ccc1)c1sc2c(c1)CCC2	PC-id_63747832,EMOLS-id_39989331	217.287	FMFJNLJEIZMGBR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018417
O=C(c1sc2c(c1)CCC2)c1cc[nH]c1	EMOLS-id_39989663,PC-id_63750167	217.287	YSZVSLRUQXDEHA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018418
c1ccc(cc1)CN1Cn2c(S1)ncc2	SCHEMBL8894079,PC-id_67718990	217.29	VCMHXZNSKNHTBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018419
c1cncc(Nc2nc3c(s2)CCC3)c1	PC-id_146106014,EMOLS-id_324070759,ZINC22_1173853722	217.29	KGEKPHMKEFGTMR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-018420
C(c1nnc2SCCn12)c1ccccc1	EMOLS-id_48367806	217.29	OAPMMTCIAFFYQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018421
O=C1/C(=C/CCCCCC)/Cn2c1ccc2	PC-id_20765067	217.307	CYJKBYNRORRCMI-XYOKQWHBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018422
O=C1C(=CCCCCCC)Cn2c1ccc2	PC-id_59990298	217.307	CYJKBYNRORRCMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018423
CC(c1sc2c(n1)CS(=O)(=O)C2)C	PC-id_90274186,SCHEMBL15866353	217.308	UXPAXYDLRRHBLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018424
CCCc1nsc2c1CS(=O)(=O)C2	PC-id_101989302	217.308	DPKVQIWQZQVJQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018425
CC(N1Cc2c(S1(=O)=O)ccs2)C	PC-id_57846636,SCHEMBL12187722	217.308	ZJTAAXSRYNQSBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018426
NCC1(C)Cc2c(S1(=O)=O)scc2	PC-id_19759897,SCHEMBL9459032	217.308	ZSGHLVHYZRODTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018427
NS(=O)(=O)Cc1cc2CCCc2s1	MCULE-7472586873,PC-id_112639824,EMOLS-id_50798835	217.308	VBPJWOYBDAMDAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018428
S1(=O)(=O)N(c2c(C1(C)C)csc2)C	PC-id_21300189	217.308	MDFAOTUEFWNOEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018429
S1(=O)(=O)N(c2c(scc2)C1(C)C)C	PC-id_21300186	217.308	QXUZHVWAUATACU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018430
S1(=O)(=O)N(C(c2c1csc2)(C)C)C	PC-id_21300249	217.308	QEMXRELKYSDTJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018431
S1(=O)(=O)N(C(c2sccc12)(C)C)C	PC-id_21300245	217.308	FWIJPUHJTLUPAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018432
S1(=O)(=O)N(Cc2sccc12)CCC	PC-id_58769765	217.308	LEAPOBVXGYBKPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018433
c12CCC(C)c1c(nn2C(CC)CC)C#N	EMOLS-id_331022849,MCULE-9013517342	217.31	NGYDOIJKSNZJNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018434
C1Cc2csc(Nc3ccccc3)[n+]2C1	EMOLS-id_317419892,MCULE-4958906479	217.31	FVUNBNROYMBAHO-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-018435
c1(C#N)c2C(C)CCc2n(CCC(C)C)n1	MCULE-9951000599,EMOLS-id_331020543	217.31	UQTYSXHWCXHZCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018436
c1(C#N)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_331008944,MCULE-4870964088	217.31	QAXSZNSVWWXVRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018437
c1(C#N)c2C(C)CCc2nn1CCC(C)C	MCULE-9056540288,EMOLS-id_331002559	217.31	QQEIYKRFZHOROF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018438
CC1CCc2c1c(nn2CC(C)(C)C)C#N	EMOLS-id_331022337,MCULE-7608369802	217.31	XGLKEFOVHYIUQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018439
CC1CCc2nn(CC(C)(C)C)c(C#N)c12	EMOLS-id_331008688,MCULE-6439449953	217.31	OMUUAVDUZFFAPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018440
CC(C)C(C)n1nc2CCC(C)c2c1C#N	MCULE-4340194748,EMOLS-id_331005622	217.31	ZWGREZYOGPLPMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018441
CC(C)C(C)n1nc(C#N)c2C(C)CCc12	EMOLS-id_331022593,MCULE-6674502624	217.31	GBEKCYRHBQZYSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018442
OCCn1c(=S)n2n(c1=S)CCC2	PC-id_101630121	217.312	KYIGFECIYNFIPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018443
C/C=CC=C(c1nsc2=CC(C=c12)C)/C	PC-id_142018362	217.33	URKPRABFFZFDSP-VWJYOPCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018444
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CCl	EMOLS-id_316169583,PC-id_134714871	217.61	PLJLMNPDFGTBQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018445
Cc1nc(c2OC(CCl)Cn12)[N+](=O)[O-]	PC-id_338776,EMOLS-id_336476814	217.61	ZPAWESRGKQBMHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018446
Cc1nc(c2O[C@H](CCl)Cn12)[N+](=O)[O-]	NSC362812,CoCoCo_5623467,LI_73262	217.61	ZPAWESRGKQBMHD-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018447
ClC[C@H]1Cn2c(O1)c(nc2C)[N+](=O)[O-]	CoCoCo_5623468	217.61	ZPAWESRGKQBMHD-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018448
Clc1c2CCC(=O)c2sc1[N+](=O)[O-]	PC-id_16639329	217.63	BHOZUAFTTRQVGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018449
Clc1sc2c(CCC2=O)c1[N+](=O)[O-]	PC-id_16639317	217.63	FAFJVGORLIGVNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018450
c12CN(Cc1sc(Cl)c2C(=O)O)C	EMOLS-id_331064361,MCULE-9563773629	217.673	AOCKCZFCPWLYDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018451
c1(C(=O)NC)c2COCc2sc1Cl	MCULE-4185570961,EMOLS-id_331063329	217.673	JHDUVFGLRUCSNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018452
c1(C(=O)OC)c2CNCc2sc1Cl	MCULE-4653569133,EMOLS-id_331066157	217.673	XFXLHXRTNKPOBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018453
c1(C(=O)O)sc2CN(Cc2c1Cl)C	EMOLS-id_330873926,MCULE-6317859924	217.673	VFRYGWMVZLAIPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018454
Clc1sc2c(C(N)(CC2)C(=O)O)c1	PC-id_83910159	217.673	AQKXYMDLAGWXHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018455
Clc1sc2C(N)(CCc2c1)C(=O)O	PC-id_83910158	217.673	DVKPGDBZIXEYOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018456
Clc1scc2CN(Cc12)CC(=O)O	PC-id_67844066,SCHEMBL9408086	217.673	NOCGVPHJWAHHKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018457
Cc1nc2SC(CCCl)C(=O)n2n1	EMOLS-id_31521021,PC-id_43839731,MCULE-6927583026	217.676	ZYPSXEHEBRENTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018458
ClCC[C@@H]1Sc2n(C1=O)nc(n2)C	PC-id_93486118	217.676	ZYPSXEHEBRENTL-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018459
ClCC[C@H]1Sc2n(C1=O)nc(n2)C	PC-id_93486119	217.676	ZYPSXEHEBRENTL-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018460
ClCC(=O)N1Cc2sc(nc2C1)N	PC-id_82194204	217.676	UZPGCFDWWXYFRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018461
ClCC(=O)Nc1sc2c(n1)CNC2	PC-id_82194093	217.676	HCEMTRVLZLMKSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018462
c12CN(Cc1sc(OC)c2CCl)C	EMOLS-id_331065127,MCULE-8045909234	217.716	RVNUGICGZRPPJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018463
CCONC1CCc2c1cc(s2)Cl	EMOLS-id_107630824,PC-id_82709022	217.716	JTWOLMMRNKXOPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018464
Clc1c2CCCc2sc1C(N)CO	PC-id_84785875	217.716	KFUQZXZUCBSPTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018465
Clc1c2CCCc2sc1CN(O)C	PC-id_84785870	217.716	BJSAIXFYUFDPBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018466
Clc1c2CCCc2sc1C(O)CN	PC-id_84785876	217.716	JNWGVSCPBJIGOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018467
Clc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_97279974,PC-id_79928634	217.716	KBYWXDPRCPWWJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018468
Clc1sc2c(C(NCCO)CC2)c1	EMOLS-id_194565965,PC-id_81252679	217.716	CGJUYLVCEOFZMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018469
Clc1sc2c(C(O)(CC2)CCN)c1	PC-id_83910163	217.716	HSCZUGBDKFPQQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018470
Clc1sc2C(O)(CCc2c1)CCN	PC-id_83910162	217.716	ZNOYVNWRTDZGFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018471
NCc1c(Cl)sc2c1C(C)(C)OC2	EMOLS-id_96828256	217.716	YZLFLKBUZBTNFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018472
CSC1=C2C(=C(S1)Cl)CCC2=O	PC-id_151452493	217.963	PGTVRYCVIJUHIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018473
CC(C)(C1=NC2=C(S1)S(=O)NC2)O	PC-id_153588321	218.018	NJUZBPZUNDGATQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018474
Brc1c2OCC(n2nc1)CN	PC-id_84735102	218.051	DIJRDWNHVUQYAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018475
Brc1nc2n(CC(C)O2)c1N	EMOLS-id_252309928,MCULE-5465374843	218.051	NKUSIYBOCBKVKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018476
OCc1nc2NCCn2c1Br	MCULE-9512011458,EMOLS-id_207621125	218.051	XCHPYDRKLCRABJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018477
Brc1cc2CNC(=O)c2s1	MCULE-3804762281,EMOLS-id_95732749,ZINC22_82368783,PC-id_59023141,SCHEMBL164372	218.071	DYOODSONLYUOFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018478
Brc1cc2C(=O)NCc2s1	EMOLS-id_178506487,MCULE-1582762041	218.071	LVTLVFJHHQPTAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018479
Brc1csc2C(=O)NCc12	MCULE-6898753011,EMOLS-id_324118588,SCHEMBL21152310	218.071	HDCGXRYWPYIKDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018480
Brc1nc2CCC(=O)c2s1	PC-id_83680996,EMOLS-id_324114971,ZINC22_84324815,MCULE-9667774240	218.071	PKLPDCHJWQGPMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018481
Brc1sc2c(c1)C(=O)CN2	PC-id_96610309	218.071	GYHZKMHBHWSMAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018482
Brc1scc2c1CNC2=O	PC-id_82614705	218.071	XXNYEFUCLIYVLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018483
Brc1scc2CNC(=O)c12	PC-id_82614706	218.071	ABODRADDBUFVNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018484
O=C1CNc2c1csc2Br	PC-id_96610307	218.071	PLJNMZYCWWCQEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018485
C1CC2=C(C1)N(C=N2)CCCC(F)(F)F	PC-id_152298202	218.103	WOUFWFBSGQAJIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018486
CC[C@H]1CC(C2=NNC(=C12)C(C)F)(F)F	PC-id_163614470	218.103	HIUDNZYJUZGFLT-GDVGLLTNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018487
CC(N1Cc2c(C1=O)bn(c2C)C(C)C)C	SCHEMBL12429181	218.103	JBNKXQOSJRCQOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018488
C/C=CC1=C(C2=C(S1)[C@@H](C(=C2C)C)C)C	PC-id_155017488	218.113	FMLPBJWQSNSFNL-JYESYGNLSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018489
Brc1c2CCCc2sc1N	PC-id_84785917	218.114	KTSOGYHPIYFVIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018490
Brc1c2c([nH]c1C)CSC2	PC-id_84785915	218.114	IVHQVSOVTGGSNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018491
Brc1cc2c(s1)CCC2N	PC-id_83910171,EMOLS-id_96224528	218.114	ZGHZBGYZJJDUNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018492
Brc1cc2c(s1)N(CC2)C	PC-id_96610302	218.114	BKZYMGMMFCTRGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018493
Brc1nc2c(s1)CCC2C	PC-id_89729327,EMOLS-id_97274035,SCHEMBL15160584	218.114	REWYNQZPGIRQAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018494
Brc1sc2CCN(c2c1)C	PC-id_82393360	218.114	QSNHYAFLYDPUJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018495
Brc1sc2CN(Cc2c1)C	PC-id_82393359	218.114	OAXOEOOFUMMPLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018496
Brc1sc2C(NCc2c1)C	PC-id_82393364	218.114	OIOBWQNITZIOEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018497
Brc1sc2C(N)CCc2c1	PC-id_83910170	218.114	DYNJSVQIGJBWPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018498
Brc1sc(c2c1CNC2)C	PC-id_82614707	218.114	QTTDGKCTZORTJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018499
Brc1scc2CN(Cc12)C	PC-id_82393361	218.114	SHHMNVZXNTVHGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018500
BrCc1csc2CNCc12	EMOLS-id_331063851,MCULE-3108684266	218.114	XVKHHBSEQDKXBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018501
BrCc1sc2c(n1)CCC2	EMOLS-id_313745179	218.114	HFHCPYRKRPFBHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018502
c12CN(Cc1scc2Br)C	EMOLS-id_330873670,MCULE-5103754404	218.114	IFZKBNSBNDAYKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018503
c1(Br)sc2c(CCC2)c1N	PC-id_99633580,EMOLS-id_50386629,MCULE-2352775556,ZINC22_132952868	218.114	XKUWZHAKUADETG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018504
CN1CCc2c1c(Br)sc2	PC-id_96610301	218.114	BYWVEBQJDFVQBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018505
C[C@@H]1CC2=C(C1C)C(=NN2CC(=O)C)C=C	PC-id_153575373	218.142	IQWOZOSAQIGDGH-HNHGDDPOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018506
CC(=O)C1=NN(C2=C1CCC2)CC3(CC3)C	PC-id_153575512	218.142	RONYHKNUOSODFO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018507
CN1CCN(CC1)N=C2CCN3C2=CC=C3	MCULE-2236319169,EMOLS-id_300797985,PC-id_154761763	218.153	PXHRGAAUUVITRZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018508
c1(C(F)F)nn(c2COCc12)CC(=O)O	EMOLS-id_317870834,MCULE-4925457833	218.158	AMVZVCJKYGWLBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018509
c12n(CCN1CC(F)F)ncc2N(=O)=O	EMOLS-id_317863167,MCULE-7618003774	218.161	UDVVVFMBHITDOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018510
ON1Cc2c(C1)nc(n2C(F)F)C(=O)N	SCHEMBL17380095,PC-id_118613839	218.161	YSXAFUDDQRLURT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018511
FC(F)(F)c1oc2c(CCC2)c1C(=O)C	PC-id_83610581	218.172	CBKONFVAGWBYFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018512
CCn1nc(c2c1C(=O)CC2)C(F)(F)F	PC-id_144505661	218.176	TZAONZJGCZJRGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018513
FC(F)(F)c1oc2c(CCC2)c1C(=N)N	PC-id_83610557	218.176	OWEJJAGBKUKFSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018514
FC(F)(F)Cn1nc2CCCc2c1C=O	MCULE-5093704329,EMOLS-id_178071726	218.176	ICGORCFDGUKZHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018515
FC(F)(F)Cn1nc(C=O)c2CCCc12	MCULE-9921349410,EMOLS-id_324390227	218.176	XLIMGEFREXZJIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018516
FC(F)(F)C(=O)Cc1n[nH]c2CCCc12	EMOLS-id_314014269,MCULE-2794757941	218.176	YEIXBQOBLIFPPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018517
CC(C)(C)C1=CN2C(=NC=C2C(C)(C)C)C1	PC-id_165091045	218.178	WSCRQNUWRCBCJD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018518
s1c(c2OCOc2c1C(=O)O)COO	PC-id_22976190	218.184	BCNISVDHZDXLEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018519
o1nc2CCCc2c1NC(=O)c1occc1	Chemmine_45364,CoCoCo_5123833,PC-id_16942296	218.209	SPIKQXUZWZDMEQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-018520
Cc1conc1C(=O)N1CCn2c1ncc2	EMOLS-id_316771587	218.212	CJISLMCJJOEHNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018521
O=C(N1CCn2c1ncc2)c1conc1C	EMOLS-id_257972941,MCULE-6877747736	218.212	FCOMZNGFPUPCGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018522
c1(C(=O)Nc2n[nH]cn2)c2CCCc2[nH]n1	MCULE-1546553609,EMOLS-id_323258547	218.215	TVEHRCRHVSESBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018523
O=C(c1cn2c(n1)CCC2)Nc1c[nH]nn1	EMOLS-id_279120018	218.215	DCUHEUFLTBOXGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018524
O=C(c1cnc2n1CCC2)Nn1nncc1	EMOLS-id_316549203	218.215	DMCNLOWOWHLIFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018525
c1(C(F)(F)F)c2CCCc2n(C(C)C)n1	SCHEMBL15724392,MCULE-2818186274,EMOLS-id_70119179,PC-id_90162769	218.219	AOHNSHMMBOBEQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018526
CC(C)n1c(c2CCCc2n1)C(F)(F)F	PC-id_90162068,SCHEMBL15723650	218.219	ITKMWCMVSVRTHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018527
CC(n1cc2C(C)CCc2n1)C(F)(F)F	EMOLS-id_331001511,MCULE-4365747773	218.219	DUWIFAQHTGVNTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018528
CCn1nc(c2c1CC(C2)C)C(F)(F)F	PC-id_118357722,SCHEMBL17066960	218.219	JBMMNEYTKYDTJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018529
CC(n1ncc2C(C)CCc12)C(F)(F)F	MCULE-9083109179,EMOLS-id_331015658	218.219	BCGYWJILTYCODB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018530
OC(=O)C(F)(F)c1cc2CCCc2s1	MCULE-3431501203,EMOLS-id_314042430	218.22	BYUVPVHBKONUGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018531
FC(C(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_114749124,PC-id_103515703	218.224	GNVDISHTJJATLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018532
c1cocc1C=C1C(=O)c2c(O1)ccs2	PC-id_134821244	218.229	XMGGQNAHXXAVPU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018533
OCCn1[nH]c2c(c1=O)CS(=O)(=O)C2	PC-id_105472134	218.23	UZVCOQUXHJVIOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018534
O=C1OCc2c1c(CCC1C=CCC1)oc2	PC-id_101225347	218.248	RGLNMSVPUXSKKH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018535
FS(=O)(=O)CCc1n[nH]c2CCCc12	MCULE-6479540151,EMOLS-id_314019010	218.249	LXVLJIFGCUPCRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018536
OC(=O)c1cc2CCS(=O)(=O)c2s1	PC-id_19759872,SCHEMBL9459077,EMOLS-id_324135669	218.25	XDFZOIROJYGFFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018537
OC(=O)C1Cc2c(S1(=O)=O)scc2	PC-id_19759880,SCHEMBL9459008	218.25	JNRMUOXZTVIYMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018538
OC(=O)c1cc2CS(=O)(=O)Cc2s1	EMOLS-id_36413581,MCULE-3503244228,PC-id_6618964	218.25	MJNLIUQHAICXSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018539
OC(=O)c1sc2c(c1)S(=O)(=O)CC2	PC-id_96610161	218.25	CHPCWKZYDCASFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018540
OC(=O)c1scc2c1CS(=O)(=O)C2	PC-id_96610160	218.25	GWZIYEWLGLVJJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018541
Cc1cc2c(s1)S(=O)(=O)N(C2=O)N	SCHEMBL11049188,PC-id_20471872	218.253	UUVQVQGJQIOOBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018542
O=C1CNc2c1sc(n2)S(=O)(=O)C	PC-id_96610029	218.253	LYSNMELEIRXBLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018543
c1(C(=O)N)c2C(C)CCc2n(CCC#N)n1	EMOLS-id_331041283,MCULE-6864537095	218.255	GTRPSAZWPQNAPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018544
c1(C(=O)N)c2C(C)CCc2nn1CCC#N	MCULE-1292049856,EMOLS-id_330959042	218.255	VOSHHGZJDNGBBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018545
Cc1nocc1NCc1cnn2c1CCC2	ZINC22_952847893	218.255	HMRYXHXAWXOXPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018546
C=CC(=C)n1c(c2CCCc2n1)NC(=O)N	SCHEMBL13975331,PC-id_89215852	218.255	VTGVOOMKGFFALL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018547
C=C=CCNC(=O)NC1CCn2c1ncc2	EMOLS-id_319780037	218.255	GSLKMXSBWNVWQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018548
CN1CCn2c1c(cc2)C(c1cnco1)N	PC-id_112486243	218.255	DYPCALBBTVHYFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018549
O=C(N1CC=CC1)NC1CCn2c1ncc2	MCULE-9756535136,EMOLS-id_319842998	218.255	ZRRHJTWSISMLQP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018550
Cc1cc(N)nn1Cc1nnc2CCCn12	PC-id_45923668,EMOLS-id_27336246,TIMTEC102614,ZINC22_36644409,MCULE-8569530979	218.258	CMCWGACEOVGRSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018551
CCn1ncnc1CN1CCn2ccnc12	ZINC22_931520517,PC-id_146139295	218.258	NHCUOPAYEDAHAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018552
n12CCCc1nnc2C(N)Cc1[nH]cnc1	PC-id_43142799	218.258	XJOBPSCPGPLLPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018553
OCCC(F)(F)c1cc2CCCc2s1	EMOLS-id_313983553,MCULE-3856201586	218.263	AFSXFHVNFWLUEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018554
COC(=O)c1sc2c(c1F)CSC2	ZINC22_514287076,EMOLS-id_194984687,MCULE-6710075348,PC-id_122404761	218.268	AXNDIFNUJBHZCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018555
c1ccc(cc1)OC1Oc2c(C1)csc2	PC-id_141327102	218.272	ZHGSIVJUEFERIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-018556
O=C(c1sc2c(c1)CCC2)c1ccco1	EMOLS-id_38528824,PC-id_61711785	218.272	FGEDXSDKBHVMER-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018557
O=C(c1sc2c(c1)CCC2)c1ccoc1	PC-id_114971767,EMOLS-id_266443056	218.272	CLFDEHYODLEGQS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018558
C=CC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_37754250,PC-id_43616421	218.275	NHWYDCINTCSRBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018559
C1Cn2c(nsc2=Nc2ccccc2)N1	PC-id_136750345	218.278	VSBIJXUHQJTRIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-018560
CC1CCc2c1c(C=O)nn2CC1CCC1	MCULE-1141219253,EMOLS-id_331003132	218.295	PERPAOZIEJXPCH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018561
CC1CCc2nn(CC3CCC3)c(C=O)c12	MCULE-6701685177,EMOLS-id_330988220	218.295	PUERRVDDZGASPI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018562
CC(C1CC1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988980,MCULE-9488498892	218.295	YKYMSTWJUCKKED-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018563
n1(CC2CCCC2)c2CCCc2c(C=O)n1	EMOLS-id_324388947,MCULE-8277392535	218.295	IQQIKYOCGMTBOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018564
O=C(C1CCc2n1ccn2)C1CCCCC1	SCHEMBL5763697,PC-id_69557884	218.295	WPLCEOLESIDKMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018565
O=CN/C=Cc1c(C)cc2n1CC(C2)(C)C	SCHEMBL19314909	218.295	VMNLGNTZWYPCOD-PLNGDYQASA-N	00000010100000000000000010000000000000000000000000000000	25-01-018566
c1(sc2c(CCC2)n1)NS(=O)(=O)C	PC-id_5060768,EMOLS-id_37291731,MCULE-1566507759	218.296	QJNOFUHJPTWMRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018567
Cc1nc2c(s1)CN(C2)S(=O)(=O)C	PC-id_89535470,SCHEMBL14907245	218.296	YSNMGUBXJADDSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018568
CC1NCc2c1sc(n2)S(=O)(=O)C	PC-id_112486169	218.296	BIGXMPILSCZEFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018569
CCc1nc2c(s1)CS(=O)(=O)N2C	SCHEMBL12344031,PC-id_68251379	218.296	GLWOAPNHXYTIIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018570
S(=O)(=O)(c1snc2c1CN(C2)C)C	PC-id_82393187	218.296	RFOAKSGZFCITSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018571
CCc1nc2c(s1)N(S(=O)(=O)C2)C	PC-id_68251373,SCHEMBL12344025	218.297	NZZJCNRBZBUBCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018572
CN1CCc2c1c(sn2)S(=O)(=O)C	PC-id_96609733	218.297	WHBGALACBPCNLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018573
NCCN1Cc2c(S1(=O)=O)ccs2	PC-id_143351494	218.297	RATVVFAMXAPNQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018574
c1(CN2CCCC(=C)C2)nnc2CCCn12	EMOLS-id_190215730,MCULE-9049699554,ZINC22_618254332	218.298	XJMINUOKXSCKRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018575
c1(C#N)c2C(C)CCc2n(CCN(C)C)n1	MCULE-6722927507,EMOLS-id_331024128	218.298	LLESPTPPVCEWKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018576
c1(C#N)c2C(C)CCc2nn1CCN(C)C	EMOLS-id_331006384,MCULE-5360080157	218.298	ZOGFFPHRFUBRPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018577
CC1(C)NCc2c1nn(c2NC1CC=C1)C	SCHEMBL19200708	218.298	XJXFTTQWQIULAJ-UHFFFAOYSA-N	00001110100000000001000010000000000000000000000000000000	25-01-018578
C#CCCCC(=O)c1sc2c(c1)CCC2	PC-id_115798634	218.315	QNMNSYNBCUNVND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018579
CC#CCCC(=O)c1sc2c(c1)CCC2	PC-id_115801692	218.315	JHZSAJQQFGSLLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018580
O=C(c1sc2c(c1)CCC2)C1=CCCC1	EMOLS-id_38775227,PC-id_62078302	218.315	WBEQHQBDBQNWNS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018581
c12CC(Cc1ssc2=S)C(=O)O	MCULE-3796661981,PC-id_102568737,EMOLS-id_50379825	218.316	PKMRJSNGGOPYHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018582
O=C(O)[C@@H]1Cc2ssc(=S)c2C1	ZINC22_217899496,PC-id_99996010	218.316	PKMRJSNGGOPYHZ-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-018583
O=C(O)[C@H]1Cc2ssc(=S)c2C1	ZINC22_217899565,PC-id_99996013	218.316	PKMRJSNGGOPYHZ-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018584
C#Cc1c2CSCc2nn1CC1CCC1	MCULE-2526748211,EMOLS-id_324399186	218.318	AECQBNABMYLHJI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018585
CCC(=C(c1sc2c(c1)CCC2)N)C#N	PC-id_104012590,EMOLS-id_313671895	218.318	HGIKWKRPHUDYGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018586
CCCCC1=CCc2coc(c12)CCCC	PC-id_90952649	218.335	HXTMUSDBSJLDNP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018587
CC1CCc2ccc(CN3CCCCC3)n12	EMOLS-id_38034	218.338	ADLACIAEYNRNLX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-018588
Cc1n(CC2CCCCC2)nc2c1CCC2	PC-id_144230212	218.338	AGGKQGQVRBXYAQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018589
CC(C1CCCC1)n1cc2C(C)CCc2n1	MCULE-5204086611,EMOLS-id_330999215	218.338	HNJUTWRZXQINPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018590
c1(C(=O)OC)c2COCc2sc1Cl	MCULE-2111102311,EMOLS-id_331064864	218.657	YPDJKPNUQBQHKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018591
Clc1sc2CCC(O)(c2c1)C(=O)O	PC-id_83910234	218.657	VBUOVSMSLKCLFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018592
Clc1sc2C(O)(CCc2c1)C(=O)O	PC-id_83910233	218.657	SFJFIYZEPCWPCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018593
OC(=O)c1c(Cl)sc2c1C(C)OC2	EMOLS-id_96102377,PC-id_114748459	218.657	HOFJKQQCOMNSJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018594
Clc1n(nc2c1CSC2)CC(=O)O	EMOLS-id_96276664,PC-id_83193155	218.661	OTOHOMVGXYOGOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018595
Clc1nc2SCCn2c1C(=NO)N	PC-id_3078141	218.664	IMQLNIZAFBYNKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018596
ClCC(=O)Nc1n2CCSc2nn1	PC-id_44007629	218.664	NCEONMWRFLSINK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018597
Clc1n(nc2c1CS(=O)C2)C(C)C	PC-id_59050151	218.704	SBSQVZSXHMLXGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018598
C1CSc2c1sc(c2)CC(=O)Cl	SCHEMBL12311846,PC-id_88902480	218.724	GBIPQEIPTQTSSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018599
C1C(=O)C2=C(S1)OC(=C2)S(=O)(=O)N	PC-id_154333108	218.966	DURLVVHSXUORHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018600
CC(C)(C1=NC2=C(S1)S(=O)OC2)O	PC-id_153588110	219.002	CVWXULKIIWUTKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018601
Brc1n[nH]c2c1C(C)(F)CC2	PC-id_105473438	219.054	BIAGEXOFNXDCLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018602
FC1CCc2c1c(Br)nn2C	PC-id_105473437	219.054	XUDCWLXEVIYHCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018603
Brc1cc2COC(=O)c2s1	PC-id_67516504,MCULE-7956766449,EMOLS-id_317861618,SCHEMBL2730025,ZINC22_145944746	219.056	HBIDOOVHQAJXKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018604
Brc1cc2c(s1)C(=O)CO2	PC-id_98010595	219.056	QJKJMXFPGHKWGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018605
Brc1sc2c(c1)C(=O)CO2	PC-id_96609593	219.056	FQDGZBWDYUSRML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018606
O=C1COc2c1csc2Br	PC-id_96609592	219.056	ZIVGWFXKBHSTOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018607
Brc1n2c(SCC2=O)nc1	PC-id_84048504	219.059	HOBAJUFKCSDUTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018608
Brc1nc2CNC(=O)c2s1	EMOLS-id_42767289,PC-id_52988179,MCULE-7659530496,ZINC22_51943903	219.059	LMKPCUIQKOPGQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018609
ClC1=C(Cl)c2c(C1=O)scc2C	PC-id_140171357	219.088	YMCYRWPDWUTPGP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018610
Brc1c2c(oc1C)CSC2	PC-id_84786457	219.099	RDUIBADCUQITRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018611
BrCc1csc2COCc12	EMOLS-id_331062573,MCULE-4902335005	219.099	VQJGTHZWNGJEGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018612
OC1CCc2sc(Br)cc12	EMOLS-id_114751298,PC-id_83679205	219.099	MFDOGTVDAOMTAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018613
Brc1nn(c2c1CSC2)C	PC-id_105473450	219.102	FVZMMMZSIOLFAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018614
Brc1sc2c(n1)C(NC2)C	PC-id_83822029	219.102	JIHZOGSKKDBQJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018615
Brc1sc2C(NCc2n1)C	PC-id_83822030	219.102	LESMTDWIRAAEEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018616
BrCc1cnc2SCCn12	MCULE-4798997221,EMOLS-id_259552877	219.102	MQCJKIZHBRTLOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018617
c12CSCc1nn(C)c2Br	EMOLS-id_317872630,MCULE-4129475054,PC-id_105473452	219.102	RCJMRTUYEQNQCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018618
Nc1sc(c2c1CNC2)Br	PC-id_97708409	219.102	AVFCRHAKACEBQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018619
CC1CC(c2c1c(F)c([nH]2)C(=O)O)(F)F	PC-id_70293048,SCHEMBL8168412	219.161	PQZMHLCHNWPZHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018620
C[C@H]1CC(c2c1c(F)c([nH]2)C(=O)O)(F)F	SCHEMBL12777499,PC-id_57659820	219.161	PQZMHLCHNWPZHM-VKHMYHEASA-N	00000010100000000000000010000000000000000000000000000000	25-01-018621
FC(F)(F)c1c2CCCc2[nH]c1C(=O)O	SCHEMBL8153490,PC-id_57659927	219.161	AZRGWCGRNQWNOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018622
FC(F)(F)c1[nH]c2c(CCC2)c1C(=O)O	PC-id_82393086	219.161	TYOBFGFBZXBRGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018623
FC(F)(F)c1[nH]c(c2c1CCC2)C(=O)O	PC-id_82615433	219.161	RNQCEEANMSUXPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018624
CCCN1C2=C(CC(C2)(C)C)C=C1C(=O)C	PC-id_153336186	219.162	VTCFABGMVPZYOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018625
c12cc(nn1CCN2CC(F)(F)F)C=O	MCULE-4218834961,EMOLS-id_320438296	219.164	DLEIFHYZVLQCTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018626
c12c(C=O)cnn1CCN2CC(F)(F)F	MCULE-7705320624,EMOLS-id_317865471	219.164	HHEUEFCIRHVMJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018627
C1Cc2nc(nn2C1)C(=O)CC(F)(F)F	PC-id_137412540,SCHEMBL20645952	219.164	OFMYZUXKXNYRMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018628
CC(C1CC(c2nc(nn12)C=O)F)(F)F	SCHEMBL20646020,PC-id_137412599	219.164	VZOKBHYWPWLQCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018629
Cn1c2c(CN(C2)C(=O)C(F)(F)F)cn1	SCHEMBL20364272,PC-id_135209258	219.164	DDVSDHYMESHEJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018630
Cn1cc2CN(Cc2n1)C(=O)C(F)(F)F	SCHEMBL20364273,PC-id_135209259	219.164	FECZHUVOCNUCLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018631
FC(F)(F)Cn1nc2CNCc2c1C=O	EMOLS-id_324346726,MCULE-4585027422	219.164	SGGSLLSVBNTKTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018632
O=Cc1n[nH]c2c1CN(C2)CC(F)(F)F	PC-id_118484632,SCHEMBL17224455	219.164	WSJOJTNVIRKDGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018633
CCOOCc1cc2c([nH]1)C(CO2)(F)F	SCHEMBL8150482,PC-id_88255463	219.185	YERSDWLZBAHEKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018634
[Se]1c2sc(c([n+]2CC1)C)C	PC-id_85842484	219.186	ZTUYVXURCWAOFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018635
FC(F)(Cn1nc2n(CCC2)c1=O)CO	PC-id_57927290,SCHEMBL3524695	219.189	NIOAGMQCYPRIGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018636
PN1Cc2c(C1)cn(n2)S(=O)(=O)C	SCHEMBL18852412	219.201	BXUYQLFGLGONLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018637
c1(C(=O)Nc2[nH]nnn2)c2CCCc2[nH]n1	MCULE-7908665553,EMOLS-id_323253438	219.203	GQOVCZLGBZRYNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018638
c1(C(F)(F)F)oc2c(CCC2)c1C(C)N	MCULE-2466892074,PC-id_83610584	219.204	HXPQZRYQSZRWIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018639
FC(F)(F)c1oc2c(CCC2)c1CNC	PC-id_83610546	219.204	DZLJPZVMERYEAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018640
c12CN(Cc1nn(CC)c2)CC(F)(F)F	EMOLS-id_324340576,MCULE-3694478195	219.207	LGLKXMXRAWWLER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018641
c1(C(F)(F)F)c2CCCc2n(CCN)n1	MCULE-4755193675,PC-id_121214527,EMOLS-id_70119189	219.207	URJXTKXVXFMAIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018642
CC1CCc2c1c(N)nn2CC(F)(F)F	MCULE-2507939082,EMOLS-id_330966769	219.207	UYPQVGGHLODCAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018643
CC1CCc2nn(CC(F)(F)F)c(N)c12	MCULE-2831012948,EMOLS-id_331016867	219.207	BCHWHIMPLCHJFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018644
Cc1[nH]nc2c1CN(C2)CCC(F)(F)F	SCHEMBL17232764,PC-id_118491729	219.207	CIPPEYKTDOFXTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018645
CC(C)n1c2c(CNC2)c(n1)C(F)(F)F	PC-id_90162780,SCHEMBL15724403	219.207	GNBFKELVIPTYLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018646
CC(C)n1c(c2CNCc2n1)C(F)(F)F	PC-id_90162092,SCHEMBL15723678	219.207	QKRNMCHBZGBBET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018647
CC(N1Cc2c(C1)nc([nH]2)C(F)(F)F)C	PC-id_57931353,SCHEMBL13256454	219.207	VYIRDBYRSDIOMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018648
CC(N1Cc2c(C1)n(nc2)C(F)(F)F)C	PC-id_67986556,SCHEMBL9963138	219.207	XATLFKMWCSCZDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018649
CCn1nc(c2c1CN(C2)C)C(F)(F)F	SCHEMBL18854028	219.207	XHYADWQLBCTLTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018650
CN1Cc2c(C1)n(nc2C)CC(F)(F)F	PC-id_118974329,SCHEMBL17624351	219.207	IEUFBZVKNCEFJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018651
FC(CNCc1n[nH]c2c1CCC2)(F)F	EMOLS-id_38281133,PC-id_61395274	219.207	CQIHQQOMCRFLJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018652
FC(F)(F)c1nn(c2c1C(CC2)CN)C	PC-id_83861577	219.207	CFXSMAWFJOPNDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018653
FC(F)(F)c1nn(c2c1C(NC)CC2)C	PC-id_83861573	219.207	AEBZTCCJBMXVLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018654
FC(F)(F)c1n[nH]c2c1C(CC2)CCN	PC-id_83861628	219.207	ATPHRWXDZPHRJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018655
FC(F)(F)c1n[nH]c2c1C(CC2)CNC	PC-id_83861630	219.207	RRNVEGNDJCFWKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018656
n1(CC(F)(F)F)c(CN)c2c(CCC2)n1	EMOLS-id_317868797,MCULE-1204377248	219.207	WIYWOZBBXGWSTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018657
NC(c1cnc2n1CCC2)CC(F)(F)F	EMOLS-id_313617835	219.207	RUOXLJIPPCXQCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018658
NCCC1CCn2c1c(nc2)C(F)(F)F	PC-id_112486125	219.207	OZELIVYTPMHYHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018659
NC(Cc1n[nH]c2CCCc12)C(F)(F)F	EMOLS-id_314013756,MCULE-6921877249	219.207	YWFUZCYWFZVOFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018660
NCC(c1n[nH]c2CCCc12)C(F)(F)F	EMOLS-id_314014524,MCULE-4102896365	219.207	KUHRWCGSTMSBAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018661
NC(C(F)(F)F)c1ccn2c1N(C)CC2	PC-id_112486127	219.207	DUUCBMMRJUAKPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018662
OC(=O)Cc1nc2c(s1)C(CC2)(F)F	PC-id_105473566	219.208	MDKIPTBMKZAMJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018663
n12cnnc1sc(=Cc1ccco1)c2=O	MCULE-3498216998	219.22	ZISOILGPJPNLCI-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-018664
n12ncnc1sc(=Cc1ccco1)c2=O	EMOLS-id_300026462,ZINC22_252679289,MCULE-8528620653	219.22	KIHUHJLWSGYIAP-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-018665
O=c1/c(=C/c2ccco2)/sc2ncnn12	ZINC22_208316,EMOLS-id_2454800,SPECS-id_AS-871/41623598	219.22	KIHUHJLWSGYIAP-DAXSKMNVSA-N	00000000101000000001000010000000000000000000000000000000	25-01-018666
O=c1/c(=C/c2ccco2)/sc2nncn12	ZINC22_515465,EMOLS-id_27010701	219.22	ZISOILGPJPNLCI-DAXSKMNVSA-N	00000000101000000001000010000000000000000000000000000000	25-01-018667
COC(=O)/C=C/CC1Cn2c(C1=O)ccc2	PC-id_121003629	219.237	QNQMMKYHFZHXKM-QHHAFSJGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018668
O=C1n2c(c(c(c2C)C(=O)OC)C)C=C1C	PC-id_11287439	219.237	NXJJRMWMBULBJF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018669
O=C1n2c(c(c(c2C)C(=O)OC)C)C(=C1)C	PC-id_86101371	219.237	QSBGPUJVYJJWDP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018670
c12CN(Cc1nn(CC)c2C#C)C(=O)OC	MCULE-2915898953,EMOLS-id_324360032	219.24	YCDYIEQHPUCYIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018671
c1(C(=O)O)c2C(C)CCc2n(CCC#N)n1	MCULE-7379618738,EMOLS-id_330987259	219.24	VPNFLOZYCDQMEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018672
c1(C(=O)O)c2C(C)CCc2nn1CCC#N	MCULE-3884743438,EMOLS-id_330971580	219.24	ASXYZPWBYQUSPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018673
c1(C(=O)OCC)c2CCCn2c(C#N)c1N	ChEMBL-DNDi_CHEMBL6179-0089,MCULE-2521045096,STOCK1S-03270,PC-id_762536,ChEMBL-DNDi_CHEMBL5219746,ZINC22_235480,EMOLS-id_2576445,CoCoCo_604914	219.24	XUBUAGXQMBWLFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018674
CCOC(=O)c1c(cc2n1C(CC2)C#N)N	PC-id_90723554	219.24	CHPLISIKUPKICF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018675
COC(=O)Cn1nc2CCC(C)c2c1C#N	MCULE-2806342877,EMOLS-id_331006128	219.24	AOXPUESOMNAHIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018676
COC(=O)Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331023872,MCULE-5535850131	219.24	KBIRRHODMCANCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018677
NC1=CCN(N1)C(=O)c1occ2c1CCC2	EMOLS-id_279127322	219.24	HZFIKDPLBRJHML-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018678
O=C1CCC(C1)C(=O)N1CCn2c1ncc2	EMOLS-id_316582862	219.24	ZTAGFCOSKJNJHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018679
O(C(=O)c1n2CCCc2c(c1N)C#N)CC	PC-id_24014505	219.24	PUSXWDMHFGVMNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018680
c1ccc(cc1)Cn1c2c(C=C=C2)c(n1)C#N	SCHEMBL14597505,PC-id_89375016	219.241	VPSLYSRZGPSGIY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-018681
Cc1noc([C@@H](C)N2CCn3ccnc23)n1	ZINC22_931526753	219.243	OACSGMAUFKQCOX-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018682
Cc1noc([C@H](C)N2CCn3ccnc23)n1	ZINC22_931526754	219.243	OACSGMAUFKQCOX-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018683
Cc1noc(n1)C(N1CCn2c1ncc2)C	PC-id_146139309	219.243	OACSGMAUFKQCOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018684
CN1C=C(CN1)C(=O)c1nn2CCCc2n1	PC-id_137412413,SCHEMBL20645812	219.243	OSWRWMGMWXBOCX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018685
CN1CCn2c1c(nn2)C(c1ccco1)N	PC-id_112486081	219.243	AQEQEMIJMOTBID-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-018686
Cn1ncc(c1)OCc1nnc2n1CCC2	EMOLS-id_318414935	219.243	VRBMRECACOCJIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018687
NC1=CCN(N1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_257953512,MCULE-8628994559	219.243	OJXLPDBOKJOUGW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018688
NCc1nnn(c1)Cc1nnc2n1CCC2	EMOLS-id_315686792,PC-id_115458258	219.246	GXDAARSXAHNVBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018689
[C-]#[N+]/C(=C
/CCc2c1sc(c2)C)/C(=O)O	PC-id_140738670	219.26	UVZYBYHHKBIPQS-HJWRWDBZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018690
N#C/C(=C
/CCc2c1sc(c2)C)/C(=O)O	PC-id_122541882,SCHEMBL18078438	219.26	RZHINJJCAFWLCO-CMDGGOBGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018691
O=C1Cc2c(N1Cc1c[nH]cn1)ccs2	PC-id_59473877,SCHEMBL2334643	219.263	NHZRPSFAVVGLHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018692
O=C1Cc2c(N1Cc1c[nH]cn1)csc2	SCHEMBL2361562,PC-id_59473874	219.263	XSKMCDGIUCVYNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018693
s1c2=NC(=O)C(=c2cc1)C=C1NCCN1	PC-id_73454074	219.263	NGWHABMIKRRVAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018694
[n+]12[nH]cc(c1NCC2)Cc1c([nH]nc1)CN	PC-id_82392955	219.266	NQWAOFJVNKHXKG-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-018695
Cc1cc2CCCn2c1C(=O)CCC(=O)C	PC-id_86127310,HMDB0040006,CNP0002570	219.28	NLJUZIDVCBWHAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018696
Cc1c(cc2n1CCC2)C(=O)CCC(=O)C	PC-id_91748242	219.28	CYIKLYFTXYTIFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018697
CCc1cn2c(c1)C(=CC2)C(=O)OC(C)C	PC-id_70450511,SCHEMBL10817638	219.28	JQILCDDWNGTPLL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018698
CCOC(=O)c1cc2c([nH]1)CCC2=C(C)C	SCHEMBL2077039,PC-id_67269836	219.28	DJDVCSLGKKRULJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018699
COC(=O)c1cc2c([nH]1)CC/C/2=C/C(C)C	PC-id_66873388,SCHEMBL1003839	219.28	DURKGFALWRCGPM-TWGQIWQCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018700
COC(=O)c1cc2c([nH]1)CC/C/2=CC(C)C	SCHEMBL1003840	219.28	DURKGFALWRCGPM-RMKNXTFCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018701
o1c(c2CN(C(=O)c2c1C)C)CCCC=C	PC-id_14951896	219.28	QPATZSYGJYWGCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018702
O(C(=O)c1c(n2c(c1C)C(=CC2)C)C)CC	PC-id_21766460	219.28	NSZMSAVPURGWHA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018703
O(C(=O)c1[nH]c2CCC(=CC(C)C)c2c1)C	PC-id_66873389	219.28	DURKGFALWRCGPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018704
OC(=O)/C=C/1CC(n2c1ccc2)CC(C)C	PC-id_83641529	219.28	OVQGJADIBQGLMJ-CSKARUKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018705
c1(cn2c(CCC2)n1)C(=O)N1CCCCC1	EMOLS-id_321294803,MCULE-7039926516	219.283	GGXDDTWDQLNWSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018706
c1(CNC(=O)C2CC2)c2CCCc2nn1C	EMOLS-id_53884609,MCULE-2270688199,ZINC22_225817409,PC-id_91819369	219.283	ZOWWSQRNHFJLJG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018707
c1(C(=O)N2CCCC2)c2CCCc2n(C)n1	EMOLS-id_179745004,PC-id_110388979,MCULE-8845570687,GD-id_ZINC49679450	219.283	SIOCGBHSISFWKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018708
c1(C(=O)N2CCCCC2)c2CCCc2[nH]n1	EMOLS-id_179744496,MCULE-2293834612,PC-id_110388805	219.283	IZCFJHUFGZTBJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018709
c1(C(=O)NC2CC2)c2CCCc2nn1CC	MCULE-7039789892,EMOLS-id_324392785	219.283	YAWDQWJOCVSCKW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018710
c1(C(=O)NC2CCCC2)c2CCCc2[nH]n1	MCULE-7967805105,PC-id_110388804,EMOLS-id_179744493	219.283	WKIGMZQRNBIREF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018711
c1(C(=O)NC2CCCC2)cn2c(CCC2)n1	EMOLS-id_321294547,MCULE-8730580857	219.283	KAOZGFZMEPDVNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018712
c1(C(=O)N)c2C(C)CCc2n(CC2CC2)n1	MCULE-8872641684,EMOLS-id_331041537	219.283	ZSGHVJRLLUDGNY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018713
c1(C(=O)N)c2C(C)CCc2nn1CC1CC1	MCULE-8217700473,EMOLS-id_330959296	219.283	KHSVGAJNFQIFND-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018714
c1(C(=O)NC)c2CCCc2nn1CC1CC1	EMOLS-id_324392784,MCULE-3418117524	219.283	KOKIXHOXEYTECJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018715
c1nc2n(c1CN[C@@]13COC[C@@H]1C3)CCC2	MCULE-8413712510,EMOLS-id_313177413,ZINC22_719154083	219.283	PIFKGKKHCCVZRR-CABZTGNLSA-N	00100010100000000001010010000000000000000000000000000000	25-01-018716
CC1CCN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_146083359,EMOLS-id_323955191,MCULE-4170488164	219.283	FWJOFNQEAJODPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018717
CC1CN(C1C)C(=O)c1n[nH]c2c1CCC2	PC-id_146088547,EMOLS-id_324068096,MCULE-6282340360	219.283	XOYFXXLAUYCPCL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018718
CC(CC(=C)C(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_319292838	219.283	QJMLRBMZPDERDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018719
CC(CC(=C)C(=O)N1CCn2c1ccn2)C	EMOLS-id_319839778	219.283	RMORPIFKJQQORY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018720
CC(CC(=C)C(=O)N1CCn2c1ncc2)C	EMOLS-id_319508769	219.283	OHSGSGHDZXXIIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018721
CCC(=C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319140724	219.283	WKVLJJRUYASFQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018722
CCC(=C)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319624503	219.283	LYFHAFZCTDVOIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018723
CC(=C)C(=O)Nc1nn2CCC(c2c1)(C)C	PC-id_90728939	219.283	LPGSTYGJSRBZMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018724
CCC(O)Cn1nc2CCC(C)c2c1C#N	EMOLS-id_331007664,MCULE-5274471371	219.283	FZEHBROMPMCWOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018725
CCC(O)Cn1nc(C#N)c2C(C)CCc12	MCULE-3435376336,EMOLS-id_331025408	219.283	DHDZKKGMUBOOLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018726
C=CC(=O)Nc1c2c(nn1C(C)C)CCC2	ZINC22_888098877	219.283	VSWXAWLKCQFIOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018727
C[C@@H]1C[C@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318880013	219.283	XTNZHBSRJBDVMD-PSASIEDQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018728
C[C@H]1C[C@@H]1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318863352	219.283	UXNNGLOUTIXQRG-CBAPKCEASA-N	00100010100000000001000010000000000000000000000000000000	25-01-018729
C[C@@H]1C[C@H]1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320036596,MCULE-4037469841	219.283	UXNNGLOUTIXQRG-VXNVDRBHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018730
C[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_299704027	219.283	FWJOFNQEAJODPB-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018731
C[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_299704028	219.283	FWJOFNQEAJODPB-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018732
C[C@H]1[C@H](C)CN1C(=O)c1n[nH]c2c1CCC2	ZINC22_294373544	219.283	XOYFXXLAUYCPCL-SFYZADRCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018733
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H]1C	ZINC22_294373535	219.283	XOYFXXLAUYCPCL-HTQZYQBOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018734
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H]1C	ZINC22_294373540	219.283	XOYFXXLAUYCPCL-JGVFFNPUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018735
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H]1C	ZINC22_294373550	219.283	XOYFXXLAUYCPCL-YUMQZZPRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018736
CCn1c(C)nc2c1C(=O)/C(=C/N(C)C)/C2	PC-id_142345743	219.283	TZZHUWLJJSNORG-VQHVLOKHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018737
n1(CC2CCC2)c2CCCc2c(C=NO)n1	EMOLS-id_324389976,MCULE-4474477609	219.283	HLBQNUFHXJVAFY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018738
n1(CC2CCC2)nc2c(CCC2)c1C=NO	EMOLS-id_324393042,MCULE-3250659922	219.283	AJJXSYHVZANWSZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018739
n1(CC2CCCC2)nc2c(CNC2)c1C=O	MCULE-1691029156,EMOLS-id_324349541	219.283	HUBANVZKQAEBFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018740
O=C(C1CCCNC1)c1[nH]c2CCCc2n1	PC-id_84735187	219.283	WSOJJALUXUJKKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018741
O=C(C1CCNCC1)c1[nH]c2CCCc2n1	PC-id_84735186	219.283	YZXWHBAPWLXFBM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018742
O=C(C1NCCCC1)c1[nH]c2CCCc2n1	PC-id_84735185	219.283	IEWAVCFVRFJXQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018743
O=C(c1[nH]c2c(c1)CCC2)N1CCNCC1	SCHEMBL10263701,PC-id_68081507	219.283	JMAYAVIZQDHKLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018744
O=C(CC1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319093251	219.283	KXXRMUOGYARHTO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018745
O=C(N1CCC1(C)C)c1n[nH]c2c1CCC2	EMOLS-id_45658237,PC-id_71925131,MCULE-3808462966	219.283	AQIIINNEIXTEMN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018746
NS(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_50765412,PC-id_112684249	219.285	LRWDTKCHBXOUJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018747
s1c2c(nc1NS(=O)(=O)C)CNC2	PC-id_82194097	219.285	DUSBPZIUEHDROH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018748
S(=O)(=O)(C)N1Cc2c(nc(N)s2)C1	PC-id_82194208,MCULE-5008418078	219.285	DAXAASOWQFRRDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018749
CC1CC(c2n1ncn2)NCCCCC#N	EMOLS-id_279082773	219.286	JKNIQRMUIBRMQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018750
C/C=C(/C1Cc2c(C1)[nH]nc2/C(=N/N)/N)C	PC-id_143311085	219.286	QNMSCQADZDATFW-ZZXKWVIFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018751
CC(C)n1nc2CCCc2c1CCN=[N+]=[N-]	MCULE-5547308982,EMOLS-id_70118718,PC-id_121214365	219.286	LFZUUAGZTQGHHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018752
CCn1c(nc2c1CNC2)C(=N)/C=C(N)/C	PC-id_144979454	219.286	KSFICVCMCIGIPB-OMVDCTIOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018753
C#CCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_40236983,PC-id_64086013	219.303	VHXKODOENXIOGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018754
CCC(C(=O)c1sc2c(c1)CCC2)C#N	EMOLS-id_37785570,PC-id_43670482	219.303	XVHJINRFIQJFMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018755
C#CCN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_313580692,PC-id_81802071	219.303	GTYNIEKPZRRZOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018756
C#CC(NC(=O)c1sc2c(c1)CCC2)C	PC-id_114390059	219.303	SVVGBYSXQWDXKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018757
NC(c1sc2c(c1)CCC2)c1ccoc1	PC-id_115855431	219.303	XLQYDYRDPDCNDM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018758
N#CCCC1(C)Cc2c(C1=O)cc(s2)C	PC-id_59542356,SCHEMBL11931735	219.303	KNBZBDPSZPTQIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018759
s1c2c(CCC2)cc1C(N)c1occc1	PC-id_61711577	219.303	IHAABQFWFFBVKH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018760
s1c2c(CCC2)cc1C(O)c1c[nH]cc1	PC-id_63750184	219.303	RVJIKRPRLHRATA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018761
s1c2c(CCC2)cc1C(O)c1[nH]ccc1	PC-id_63747849	219.303	RQOVDTKYLSZOHS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-018762
CSC1=NS(=O)(=O)c2c1csc2	PC-id_13390866,SCHEMBL10690861	219.304	KIKUQTHJYZKNNT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018763
CSC1=NS(=O)(=O)c2c1scc2	PC-id_14086552,SCHEMBL10693774	219.304	JNZRFUNXWGJXNN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018764
S1(=O)(=O)N(C(=S)c2c1scc2)C	PC-id_10466023	219.304	TZMDNHHZWRQKCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018765
S1(=O)(=O)N(C(=S)c2sccc12)C	PC-id_10059286	219.304	LLPIACJXUWOGGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018766
S1(=O)(=O)N=C(SC)c2c1scc2	PC-id_10262875	219.304	HZTDRFIXXWCIRD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018767
c1(C#N)c2CCCc2sc1N=CN(C)C	PC-id_2999708,EMOLS-id_300283995,MCULE-8088000081	219.306	LMUYFGDTLHZRRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018768
CN(C)/C=N/c1sc2c(c1C#N)CCC2	CoCoCo_1737520,ZINC22_100627133,EMOLS-id_26157303,ChEMBL-DNDi_CHEMBL3334-4396,PC-id_9554683	219.306	LMUYFGDTLHZRRW-NTUHNPAUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018769
N#Cc1c(/N=CN(C)C)sc2c1CCC2	CoCoCo_1737521	219.306	LMUYFGDTLHZRRW-QPEQYQDCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018770
N#CN/C=N/C1c2ccsc2CC1(C)C	PC-id_20069476,SCHEMBL9864981	219.306	BGVNJVFDTGWTIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018771
o1c2c(c(CNC3CC3)c1C(C)C)CCC2	PC-id_83610280	219.323	VNUAUCYDOYYNGO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-018772
o1c2c(c(CNC3CC3)c1CCC)CCC2	PC-id_83610352	219.323	PDGKKKNEAZKGEA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-018773
o1c2c(c(CNC3CCCC3)c1C)CCC2	PC-id_83610128	219.323	PSBPVVNJLAISGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018774
O=C(c1n2CC(Cc2cc1)(C)C)C(C)(C)C	PC-id_10976963	219.323	SLJDYMIETUMBAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018775
O=Cc1n2CC(Cc2cc1C(C)(C)C)(C)C	PC-id_11085311	219.323	CANHVEQQHCXDEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018776
O=C(c1n(c2C(C(C(c2c1C)C)C)C)C)C	PC-id_53937424	219.323	IVKHSWVCUXUUNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018777
C1CCC(CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_38281117,PC-id_61395248	219.326	GNYGVSZSMXWCRF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018778
CC1CCc2c1c(CN)nn2CC1CCC1	MCULE-8007686246,EMOLS-id_331017464	219.326	MHHMLPLQTMEDLA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018779
CC1CCc2nn(CC3CCC3)c(CN)c12	MCULE-5626152193,EMOLS-id_331000504	219.326	JXPCFSRTMCSADQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018780
CC(C1CC1)n1nc2CCC(C)c2c1CN	MCULE-6707684324,EMOLS-id_331001264	219.326	YJTPJBKJEZFHIQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018781
CC(C1CCC1)n1nc2CCC(C)c2c1N	EMOLS-id_331010987,MCULE-4610256282	219.326	BKPBGBNNQZWCBL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018782
CC(C1CCNCC1)c1n[nH]c2CCCc12	EMOLS-id_313871952,MCULE-6866620701	219.326	ZHYZIFWKSQIXLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018783
CC(n1nc2CCC(C)c2c1N)C1(C)CC1	MCULE-1163116355,EMOLS-id_331010474	219.326	ZZEHVOZREFDCOI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018784
CN(C)Cc1nn(CC2CC2)c2CCCc12	EMOLS-id_324389205,MCULE-1566234340	219.326	BRSIMFRNAXEVGJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018785
n12c(nc(c1CCC2)C)C(C1CCC1)CN	PC-id_82661629	219.326	KWLLSAPETLEVIF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018786
N1(Cc2c3c([nH]c2C)CCC3)CCNCC1	PC-id_82616039	219.326	KMXZBPDLVKYEAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018787
n1(CC2CCCC2)c(CN)c2c(CCC2)n1	EMOLS-id_324388446,MCULE-6594016992	219.326	FYTABYRCKJHSIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018788
N1C(CCCC1)CCc1n[nH]c2c1CCC2	PC-id_83858885	219.326	CIEVHFXAFXVHNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018789
N1CCC(CCc2n[nH]c3c2CCC3)CC1	PC-id_83858886	219.326	UCPSRNUVLAECAQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018790
n1(nc2c(c1CC1CCCCC1)CNC2)C	PC-id_83849489	219.326	VEGKCJNABKGGOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018791
n1(nc2c(C(CC2)(C)C)c1N)C(C1CC1)C	PC-id_79866635	219.326	OYOGIJBKBULMND-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018792
n1(ncc2c1CCC2)CC1CCC(N)CC1	PC-id_71086572	219.326	QVYBIAGHORJBBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018793
n1(nc(CC2CCCCC2)c2c1CNC2)C	PC-id_83849488	219.326	NWWQGXXCPFFQAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018794
N(C1CC1)C1c2c(nn(c2C(C)C)C)CC1	PC-id_83910380	219.326	CIQNYAUMPRZFBN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018795
N(C1CC1)C1c2c(n(nc2C(C)C)C)CC1	PC-id_83910381	219.326	ABYMBZKVURHGSB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018796
N[C@@H]1CC[C@H](CC1)Cn1ncc2c1CCC2	SCHEMBL14150155	219.326	QVYBIAGHORJBBN-UMSPYCQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018797
CC#CCC(c1sc2c(c1)CCC2)NC	PC-id_115819160	219.346	YCZZZFZZEWGHST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018798
C#CCCC(c1sc2c(c1)CCC2)NC	PC-id_115859067	219.346	WNQZSORWDWXAIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018799
C#CCCCC(c1sc2c(c1)CCC2)N	PC-id_105033706	219.346	HHNXJOBONBZWQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018800
CC#CCCC(c1sc2c(c1)CCC2)N	PC-id_105037150	219.346	SDYDILVLRFUMEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018801
C#CCCCNCc1sc2c(c1)CCC2	EMOLS-id_314415903,PC-id_104089472	219.346	MERKOXAPIRJFLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018802
CC#CCCNCc1sc2c(c1)CCC2	PC-id_104806453	219.346	RVMLZLHITKRSCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018803
CC#CCNC(c1sc2c(c1)CCC2)C	PC-id_115896944	219.346	MVELJCBYILYTQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018804
CCCNC(c1sc2c(c1)CCC2)C#C	PC-id_104995504	219.346	WUAWZYZATSEYOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018805
CCC(NCc1sc2c(c1)CCC2)C#C	PC-id_116166723	219.346	YFLDNKMFKYBBLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018806
CCNC(c1sc2c(c1)CCC2)CC#C	PC-id_114977958	219.346	OYEWCGOJMVAPGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018807
N#CC(c1sc2c(c1)CC(C2)C(C)C)C	SCHEMBL11531950,PC-id_21317976	219.346	UOYRUAZHBONMMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018808
s1c2c(CCC2)cc1C(N)C1=CCCC1	PC-id_62077839	219.346	AVAQXDGCVYKFGQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018809
s1c2CN(Cc2sc1=S)CCO	PC-id_10489074	219.347	UQCMIHGWIQISKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018810
CC1C(C)c2c(C1C)c(n(c2C)C(C)C)C	SCHEMBL18407471	219.366	XTNKTWHXNJTVPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018811
CCC1c2[nH]ccc2C(C1C(C)(C)C)CC	SCHEMBL12727232,PC-id_68365328	219.366	UXIKZDGDOVBJAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018812
COC1Nn2c(S1)nc(c2)C(=O)Cl	SCHEMBL18678407	219.649	MIBHOQWFIGGXQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018813
ClS(=O)(=O)c1c2c([nH]c1C)CCC2	PC-id_84787213	219.689	XETGUTCPENQSJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018814
[Te]1c2c(C=C1)coc2	PC-id_85753127	219.695	NKFJNITZCFTFQF-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-018815
[Te]1c2c(occ2)C=C1	PC-id_85753117	219.695	SCBQTEWLWRATHT-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-018816
[Te]1c2occc2C=C1	PC-id_85753111	219.695	SUVVAKLUPKOBKV-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-018817
FCCNC1CCc2c1cc(s2)Cl	EMOLS-id_266452600	219.707	CARQLUHWPPLBFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018818
c1(C(=O)N)c2CSCc2sc1Cl	EMOLS-id_331060780,MCULE-5348747652	219.712	ANJVKWHYDMIAML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018819
c1(C(=O)N)sc2CSCc2c1Cl	MCULE-1215597894,EMOLS-id_330873155	219.712	LRXGTXHDEFBHRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018820
c12CSCc1sc(CNC)c2Cl	MCULE-3514436128,EMOLS-id_330873411	219.755	LXIXRNXZJVAQFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018821
c1(CNC)c2CSCc2sc1Cl	MCULE-9545818352,EMOLS-id_331061036	219.755	WZOPLGUPWDYDSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018822
CC1=C2C(=C([Se]1)C)SCO2	PC-id_164989822	219.946	LQCZDJXFRNWSEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018823
CC1=C(SC2=C1C(=O)OC2=O)/C=CC=C	PC-id_164148996	220.019	ZCYZFJMNSPMRCZ-PLNGDYQASA-N	00000010100000000000000010000000000000000000000000000000	25-01-018824
Brc1noc2c1C(C)(F)CC2	PC-id_105475120	220.039	GYISJPZDFZMJPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018825
Brc1nn2c(SCC2=O)n1	PC-id_84048503	220.047	VKAHDFVQCUUFPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018826
C1CN2C(=C(C=N2)C(=O)N)N1C(F)(F)F	PC-id_153680940	220.057	XEKBPFNTRNAZQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018827
C1C(NC2=CC(=NN21)C(F)(F)F)C(=O)N	PC-id_161054316	220.057	UCNTYHGLSUUVJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018828
C1CC1C(=O)N2CC3=C(C2)NN=C3C(=O)[O-]	PC-id_153795585	220.073	FZECOFRYTQJRQR-UHFFFAOYSA-M	00100010100000000001000010000000000000000000000000000000	25-01-018829
C1C(=C=O)N(c2c1scc2Cl)Cl	SCHEMBL4706039,PC-id_87716309	220.076	XIVHCTPYZSJZET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018830
c12CNCc1sc(Br)c2O	MCULE-6663332518	220.087	JDYHPEJNRAMQCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018831
BrC1n2c(SC1)c(nc2)N	PC-id_68399999,SCHEMBL12840884	220.09	ZNLIVYLDJIQRIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018832
CC1=Nc2n(S1Br)cnc2	SCHEMBL20743717	220.09	PXKABAXZHPHPFU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018833
FC(F)(F)c1oc2c(CCC2)c1C(=O)O	PC-id_83610542	220.145	IFKFCNBNPVGJDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018834
FC(F)(F)c1oc(c2c1CCC2)C(=O)O	PC-id_82376321	220.145	YCYSELSYRFPYKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018835
FC(F)(F)c1ncn2C(CCc12)C(=O)O	PC-id_82392830	220.149	GLNBQBIMKJUBEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018836
FC(F)(F)c1[nH]c2c(CNC2)c1C(=O)O	PC-id_82392829	220.149	KXWSYJDBTLVAGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018837
FC(F)(F)c1n[nH]c2c1C(CC2)C(=O)O	PC-id_83861625	220.149	DJJYLLACDRKZPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018838
O=C(Nc1onc2c1CCC2)C(F)(F)F	PC-id_44391598,CHEMBL180563	220.149	ZUVPIMIOQZTCDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018839
OC(=O)c1c2CCCn2nc1C(F)(F)F	EMOLS-id_337771047	220.149	SNJDILFORYOCSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018840
OC(=O)C1Cc2c([nH]nc2C(F)(F)F)C1	MCULE-7752819977,PC-id_112485977,EMOLS-id_295412114	220.149	CXOMAYFHMXUFLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018841
OC(=O)C1Cn2c(C1)nc(c2)C(F)(F)F	PC-id_112485976	220.149	DZKJLFNPEABJPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018842
O=C(O)[C@H]1Cc2[nH]nc(C(F)(F)F)c2C1	ZINC22_82365999	220.149	CXOMAYFHMXUFLD-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018843
O=C(O)[C@@H]1Cc2[nH]nc(C(F)(F)F)c2C1	ZINC22_82366000	220.149	CXOMAYFHMXUFLD-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-018844
NC(=O)c1c2NCCn2nc1C(F)(F)F	PC-id_138705362,SCHEMBL21081524	220.152	IMHKDZSDZXEKFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018845
NC(=O)c1nc2n(n1)C(CC2)C(F)(F)F	SCHEMBL19659618	220.152	IEKZSGNFBQHATD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018846
CC(C)CC1=C2CN(C(=O)N2C=C1)C(C)C	PC-id_155050838	220.158	SKLAFIWCTURRKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018847
Cn1c2c(c(n1)C(F)F)C(CC2=C)(F)F	PC-id_90168558,SCHEMBL15731255	220.167	DJBXCOFHQFBHGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018848
c12CC(Cc1nn(CC)c2O)C(F)(F)F	EMOLS-id_320435986,MCULE-1809508875	220.192	LWXXHQPYESHOBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018849
c12C(CCc1nn(CC)c2O)C(F)(F)F	EMOLS-id_320436242,MCULE-8129987578	220.192	WELDDVLPAARAFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018850
c1(C(F)(F)F)c2CCCc2n(CCO)n1	MCULE-6944103167,EMOLS-id_70119185,PC-id_121214525	220.192	OCBNSDHCKOBKRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018851
CC1CCc2c1c(O)nn2CC(F)(F)F	MCULE-5261985969,EMOLS-id_330957563	220.192	MDJJXFZVPHYHAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018852
CC1CCc2nn(CC(F)(F)F)c(O)c12	EMOLS-id_331009197,MCULE-1599889037	220.192	WYDVHSMMAHERSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018853
CC(C)n1c2c(COC2)c(n1)C(F)(F)F	PC-id_90162779,SCHEMBL15724402	220.192	VWEIJIHRQKPUAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018854
CC(C)n1c(c2COCc2n1)C(F)(F)F	PC-id_90162098,SCHEMBL15723684	220.192	CYOFAPIAIZRDHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018855
CCn1nc(c2c1CC(C2)O)C(F)(F)F	SCHEMBL18854134	220.192	JCFUROLYQXHYAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018856
FC(F)(F)c1noc2c1C(CC2)CCN	PC-id_83861466	220.192	KYXVPZBJYIAIRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018857
FC(F)(F)c1noc2c1C(CC2)CNC	PC-id_83861468	220.192	VWOALPXVUYYGNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018858
n1(CC(F)(F)F)c(CO)c2c(CCC2)n1	EMOLS-id_317867517,MCULE-6633963048	220.192	JYAPZSLRNSTWNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018859
OC(Cc1n[nH]c2CCCc12)C(F)(F)F	EMOLS-id_314015549,MCULE-4007274217	220.192	MFRDULXUFKLDSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018860
CC(C)(C)C1=C2CCCN2N=C1C(C)(C)C	PC-id_164761900	220.194	RDUMKXXEGPRQFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018861
c12c(CN)cnn1CCN2CC(F)(F)F	EMOLS-id_317865983,MCULE-1141964277	220.195	KVBNNFAKLZNJMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018862
c12cc(nn1CCN2CC(F)(F)F)CN	EMOLS-id_320439064,MCULE-6513275729	220.195	NRLHVDAZZSGOFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018863
FC(C(c1nnc2n1CCC2)(N)C)(F)F	EMOLS-id_42525359,PC-id_79799120	220.195	GKMKXZGASRJESI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018864
FC(CNCc1nnc2n1CCC2)(F)F	PC-id_79258421,EMOLS-id_42140792	220.195	ILKBQCWPEGTMJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018865
FC(F)(F)CN1Cc2c(nn(c2N)C)C1	PC-id_83917578	220.195	LTNZGZGNUIGFJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018866
FC(F)(F)CN1Cc2n(nc(N)c2C1)C	PC-id_83917575	220.195	SAUBKBYQUNCMHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018867
NC1CN(c2n1ncc2)OS(=O)(=O)O	PC-id_141575082	220.206	PSCNAJILCYQLGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018868
Nc1cnn2c1N(CC2)OS(=O)(=O)O	PC-id_141575083	220.206	RXMDBDARSKESLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018869
FC(F)(F)C(=O)c1cc2CCCc2s1	EMOLS-id_313983554,MCULE-4473802014	220.211	MPTXCGKRVXSMLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018870
O=CC(=O)c1c2CCCn2c(c1C)C(=O)N	SCHEMBL21296621,PC-id_139434799	220.225	ZACLJGVRRCMBPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018871
O=CC(=O)c1c(C)c(c2n1CCC2)C(=O)N	SCHEMBL21296667,PC-id_139434837	220.225	DJKUJEWCSQZXGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018872
c12CN(Cc1nn(C)c2C#N)C(=O)OCC	EMOLS-id_324355689,MCULE-7921633572	220.228	MZQRKNMNQUUCMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018873
CC1=NOC(C1)C(=O)N1CCn2c1ncc2	EMOLS-id_316580047	220.228	UHJROBWLGQDHLR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018874
COc1cc(CN2CCn3ccnc23)on1	PC-id_146139291,ZINC22_931519180	220.228	CQCPRBGQEHLZGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018875
NC(=O)[C@H]1c2c[nH]nc2CN1C(=O)C1CC1	ZINC22_1875344082	220.228	DDGJRXQSCFQKAW-MRVPVSSYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018876
NC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)C1CC1	ZINC22_1875344083	220.228	DDGJRXQSCFQKAW-QMMMGPOBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018877
O=C(C1=C(/C(=C(/[O-])C)/c2[n+]1nn(n2)C)C)C	PC-id_10775276	220.228	DIUDACBCICUBOS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018878
n1(CC(F)F)c(CO)c2c(CSC2)n1	EMOLS-id_324398940,MCULE-1970527854	220.24	HBCORPAQCAXEHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018879
S1(=O)c2c(nn(C(C)C)c2)CC1(F)F	PC-id_59050148	220.24	GRDPFKZGHFDOER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018880
O=S1Cc2c(C1)c(c(s2)C(=O)O)F	SCHEMBL16661639,PC-id_118030870	220.241	YOTLGGWFSJMIHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018881
C/C(=CC(=C/C=C)F)/C1COc2n1ccn2	PC-id_142091438	220.243	NMIKPWDJVVDDMQ-FXLUECPISA-N	00000010100000000001000010000000000000000000000000000000	25-01-018882
C1Cn2c(c(nn2)C(=O)c2cccs2)N1	PC-id_135924060	220.251	XGCGPNFUSXVHPQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-018883
C=CCCCc1oc(c2c1C(=O)CC2)OC	PC-id_58824883,SCHEMBL13145550	220.264	JNKFWVGZNWVZPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018884
o1c2c(CCC2)c(c1C(C)C)/C=C/C(=O)O	PC-id_83610337	220.264	FJPVINILMVRFFD-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018885
o1c2c(CCC2)c(c1CCC)/C=C/C(=O)O	PC-id_83610409	220.264	BTGIPXRIFNTYRP-BQYQJAHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018886
c1(C(=O)O)c2C(C)CCc2n(CC2CC2)n1	EMOLS-id_330987513,MCULE-3957997940	220.268	MSJMVLGCETUBAY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018887
c1(C(=O)O)c2C(C)CCc2nn1CC1CC1	EMOLS-id_330971834,MCULE-5035842726	220.268	UROMCIDARWPPLQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018888
c1(C(=O)OC)c2CCCc2nn1CC1CC1	PC-id_121214340,EMOLS-id_70118650,MCULE-3982596630	220.268	JRAJWIDSMXCHNV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018889
CCc1ncc2n1C(=O)C(C2=O)(CC)CC	PC-id_101496522	220.268	WRVIUKIFGGSJNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018890
CC(C)c1c2c(c([nH]1)O)C(=NC2=O)C(C)C	PC-id_136597384	220.268	DGPJVPFOSVLJLY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018891
CCC(CN1C(=O)c2c(C1=O)n(cc2)C)C	PC-id_71216420,SCHEMBL14614483	220.268	RXODUHKNDWZCEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018892
CCn1cc2c(c1)C(=O)N(C2=O)C(C)(C)C	PC-id_68329064,SCHEMBL12617094	220.268	IXGGYJGWBVTFJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018893
CN(CC1Cn2c(C1=O)ccc2C(=O)C)C	PC-id_67704763,SCHEMBL8829578	220.268	RWGMKYZLKKCORN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018894
n1(CC2CC2)nc2c(CCC2)c1CC(=O)O	MCULE-7195275687,PC-id_121214371,EMOLS-id_70118736	220.268	VTQSASFUECKYIK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018895
o1c2CCCc2nc1C(=O)C1CCCNC1	PC-id_84735241	220.268	CBIKYVKIJJWXBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018896
o1c2CCCc2nc1C(=O)C1CCNCC1	PC-id_84735240	220.268	GIDZYXAAUXJLSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018897
o1c2CCCc2nc1C(=O)C1NCCCC1	PC-id_84735239	220.268	ALYJJEXOOGDZOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018898
o1c2c(CN(CC3CCNCC3)C2=O)cc1	PC-id_17839169	220.268	SHQXCHNDDGRBAG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-018899
O=C1NC(=O)c2c(n(c(c12)C)CCCC)C	PC-id_86177876	220.268	IEUUBRUFWZPGMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018900
O=C(C1C=C(n2c1ccc2)N)OC(C)(C)C	PC-id_139763833	220.268	VVHCKCFGLFHYKT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018901
O=Cc1[nH]cc2c1C(C)(CC2(C)C)C(=O)N	PC-id_23344122,SCHEMBL11443980	220.268	FGLDTFDRIZJQPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018902
OC(=O)C(C1CC1)c1n2c(CCC2)c(n1)C	PC-id_82661747	220.268	JHDRDCAKGXBFCE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018903
OC(=O)Cc1cn2c(c1CC1CC1)NCC2	PC-id_98772363	220.268	ACPDONJSBOBANR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018904
c1(C(=O)N2CCCCC2)[nH]nc2CNCc12	ZINC22_96516096,PC-id_97619434,MCULE-4266241441,EMOLS-id_49188867	220.271	PRDJOZWWQVDLNS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018905
O=C(N1Cc2c(C1)c([nH]n2)C)N1CCCC1	SCHEMBL17232720,PC-id_118491691	220.271	JMJHVDJIVCZHOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018929
c1(C(=O)NC2CCCC2)[nH]nc2CNCc12	PC-id_97619431,EMOLS-id_323941314,MCULE-3002591859,ZINC22_96516093,EMOLS-id_49188861	220.271	BGKHTFLMBAEBRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018906
c1(C(=O)NN=C(C)CC)c2CCCc2[nH]n1	MCULE-8646858938,PC-id_872955	220.271	LVPVQFOKGXIACA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018907
CC1CC(C1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319849125,MCULE-3853201124	220.271	PIPUQSJBSLLMBD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018908
CCC1=NC(c2c1c(n[nH]2)NC(=O)C)(C)C	PC-id_89801053	220.271	XUSVYNZRSHBNAI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018909
CCC(=C)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319540858	220.271	UYDCTKMTLCFYCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018910
CC=CC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_314798810,PC-id_112727815	220.271	QEGLSMGOVZBAIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018911
CC=CC(=O)NC(c1nnc2n1CCC2)C	PC-id_112727793,EMOLS-id_314326650	220.271	HYGSUOACMBFELN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018912
CCCNC(=O)NN=C1CCn2c1ccc2	EMOLS-id_301005771,MCULE-2124964692,PC-id_91942677	220.271	OSWSQOLNWIWEEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018913
CC/C(=NNC(=O)c1[nH]nc2c1CCC2)/C	TIMTEC297491,CoCoCo_672536,PC-id_5414709,CoCoCo_672538	220.271	LVPVQFOKGXIACA-GHXNOFRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018914
CC/C(=N/NC(=O)c1n[nH]c2CCCc12)/C	CoCoCo_672535,PC-id_9566851,CoCoCo_672537,EMOLS-id_25870561,ChEMBL-DNDi_CHEMBL5647004	220.271	LVPVQFOKGXIACA-KPKJPENVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018915
CC(NC(=O)C1NCc2c1c[nH]n2)CC=C	EMOLS-id_318925045	220.271	VORQVPYROSFYQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018916
Cn1nc(CN2CCCC2=O)c2c1CNC2	EMOLS-id_46181941,PC-id_97405293,ZINC22_96084467	220.271	NXWVPTCJTLZMHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018917
Cn1nc(C(=O)N2CCCC2)c2c1CNC2	ZINC22_306143606,EMOLS-id_48476369	220.271	YGTCHTJCFCGHHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018918
CN(C(=O)C1NCc2c1c[nH]n2)CC1CC1	EMOLS-id_319447107	220.271	JMVPYKDBYYCAMG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018919
N[C@H]1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102816679	220.271	NOMBBNABEVISQP-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018920
N[C@@H]1CCN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_119409437,EMOLS-id_301496438,MCULE-1381902249	220.271	NOMBBNABEVISQP-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018921
O=C1N(CC2CCCNC2)Cc2n1cnc2	PC-id_83680773	220.271	NHEONYAOGPPYEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018922
O=C1N(CC2CCNC2)Cc2n1c(nc2)C	PC-id_83680774	220.271	XIGZCJBCRMMVAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018923
O=C1N(CC2NCCC2)Cc2n1c(nc2)C	PC-id_83680776	220.271	HOUPUEPBCDNAHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018924
O=C(C1NCc2c1c[nH]n2)N(C1CCC1)C	MCULE-5101418019,EMOLS-id_319987098	220.271	OMKCIPTVQZBECF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018925
O=C(c1n[nH]c2c1CCC2)N1CCNCC1	EMOLS-id_301485970,MCULE-2925567940,PC-id_82509261	220.271	BZUYCJQFFOIQFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018926
O=C(c1n[nH]c2c1CCC2)NCC1CNC1	PC-id_120116791	220.271	UBDAVTILZJDZMA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018927
O=C(CC(c1nc2n(n1)N=C(C2)C)C)CC	PC-id_57604420	220.271	FXMYTHGPDYZUCL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018928
O=C(N1Cc2c(nn(c2N)C)C1)C1CCC1	PC-id_84685788	220.271	ULSXJBIBMZXFCD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018930
O=C(N1CCC1)NCc1cc2n(n1)CCC2	EMOLS-id_318860162	220.271	ODGXWTRDFHARAV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018931
O=C(N=c1[nH][nH]c2c1CNC2)C1CCCC1	ZINC22_1875276728	220.271	VJERCRZUTBULBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018932
O=C(N(Cc1n2CCCc2nn1)C)C1CC1	PC-id_60707568	220.271	DJPOQFAVGQAXRA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018933
O=C(NC(c1n2CCCc2nn1)C)C1CC1	PC-id_60715575	220.271	IUIHOFHFUBVAKD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018934
O=C(N/N=C
/CCn2c1ccc2)NCCC	PC-id_75479984	220.271	OSWSQOLNWIWEEI-LCYFTJDESA-N	00000010100000000000000010000000000000000000000000000000	25-01-018935
S1c2sc(c(c2C(=O)C1C#N)C)C#N	PC-id_15647575	220.271	NRENCJBNFVFIJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018936
CC(=N)N(C(=N)c1nc2c(n1C)CNC2)C	PC-id_144979394	220.274	CHRXKVBJXGKDRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018937
CN=C(c1nc2c(n1C)CNC2)N=C(N)C	PC-id_144979538	220.274	HMCPCEICTUPQHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018938
FS(=O)(=O)Cc1cc2CCCc2s1	MCULE-8484570174,EMOLS-id_314018202	220.284	RRYVBELNXPGWDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018939
CC(=C1C(=O)c2c(C1=O)c(sc2C)C)C	PC-id_117733439,SCHEMBL16284934	220.287	NAEWPTQTPUDUPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018940
O=C(c1sc2c(c1)CCC2)C1=CCCO1	PC-id_102652702,EMOLS-id_107650375	220.287	IAOZKGKYGSPQDF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018941
OC(c1sc2c(c1)CCC2)c1ccco1	PC-id_115797391	220.287	ATYYAJQWDWZVEB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018942
OC(c1sc2c(c1)CCC2)c1ccoc1	PC-id_115797133	220.287	MKCLWODOJSSBIH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-018943
O=C(c1sc2c(c1)CCC2)C1=COCC1	EMOLS-id_107799232	220.287	FBJLKDQWESLYEP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-018944
c1(C#N)c2CCCc2sc1N=COCC	MCULE-5376488011,PC-id_40524824	220.291	FFAUOYQUGWVXPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018945
c1(C(=O)NCCC#N)cc2c(CCC2)s1	EMOLS-id_37232994,PC-id_60655727,MCULE-3226074044	220.291	NSWJBNBPBOYIKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018946
c1(NC(=O)CC)sc2c(CCC2)c1C#N	CK1241828,SPECS-id_AN-153/I226305,SPECS-id_AP-970/40944062,MCULE-6215141566,BAS-06848296,ChEMBL-DNDi_CHEMBL1717791,CoCoCo_356020,EMOLS-id_1487124,PC-id_3154707,ZINC22_4454699	220.291	TWQQHKZZFQMZMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018947
C=CCS(=O)c1ccc2n1CCC2C#N	SCHEMBL10816779,PC-id_70450250	220.291	WEUNLCBPOLNMRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018948
C=CCS(=O)c1cn2c(c1)C(CC2)C#N	PC-id_70450008,SCHEMBL10815943	220.291	HMMJNHVLGKSNEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018949
CCO/C=Nc1sc2c(c1C#N)CCC2	CoCoCo_6581197	220.291	FFAUOYQUGWVXPD-QPEQYQDCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018950
CCO/C=N/c1sc2c(c1C#N)CCC2	TIMTEC142848,CoCoCo_6581196,PC-id_10513124,EMOLS-id_8851779,ZINC22_5315106	220.291	FFAUOYQUGWVXPD-NTUHNPAUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018951
N#CC(NC(=O)c1sc2c(c1)CCC2)C	PC-id_61120456,EMOLS-id_38082676	220.291	LMOJPLYONUZJMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018952
N#CCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_61900340,EMOLS-id_38642480	220.291	LVYWIXRGCDAUJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018953
S1C(Sc2nsnc12)C(=O)OC	PC-id_10560888	220.292	FBBHSCSQQIYRGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018954
CC(=N)/C(=C/1C(=N)Sc2c1n[nH]c2C)/C	PC-id_145425197	220.294	DHWBZPWYPMOPAF-VBGYOJFQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018955
o1c(c2CCCc2c1)C(CCCC)C(=O)C	PC-id_10560890	220.307	UMEYFVQZFHXEDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018956
c12CCC(C)c1c(nn2C(CC)CC)C=O	MCULE-6134091969,EMOLS-id_331003646	220.311	PLRDTRZZQPOZQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018957
c12CC(C)C(NC3CC3)c1c(C(C)C)no2	MCULE-6253971546	220.311	WYAXJMJHARVUQD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018958
c1(C=O)c2C(C)CCc2nn1C(CC)CC	MCULE-3132556461,EMOLS-id_330988478	220.311	NNEJSYZGFMUYCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018959
CC1CCc2c1c(CO)nn2CC1CCC1	MCULE-7426789689,EMOLS-id_331012338	220.311	CGPQKOHEVALWJH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018960
CC1CCc2c1c(C=O)nn2CC(C)(C)C	MCULE-7243838515,EMOLS-id_331003134	220.311	JTQKHBMNPKVCAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018961
CC1CC(c2c1onc2CNC1CC1)(C)C	PC-id_106664546	220.311	KHCHLVOZDZDIJO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018962
CC1CCc2ccc(CN3CCOCC3)n12	EMOLS-id_38032	220.311	UZBIMEBDBUJADY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018963
CC1CCc2nn(CC3CCC3)c(CO)c12	EMOLS-id_330996402,MCULE-1921627776	220.311	SMMUBAUKTXLUSK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018964
CC1CCc2nn(CC(C)(C)C)c(C=O)c12	EMOLS-id_330988222,MCULE-8876356810	220.311	VZSSELUZHWISBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018965
Cc1[nH]c(c2c1C(C)(CC2(C)C)C(=O)N)C	PC-id_12369130,SCHEMBL11342037	220.311	QCVBBDSNTPQCJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018966
CC(C1CC1)n1nc2CCC(C)c2c1CO	MCULE-4650272608,EMOLS-id_330993082	220.311	DXRQFIAXCSRXQU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018967
CC(C1CCC1)n1nc2CCC(C)c2c1O	EMOLS-id_331007141,MCULE-5378583035	220.311	NNGXAUCJNBJGRL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018968
CC(C1CCOC1)n1cc2C(C)CCc2n1	EMOLS-id_331000495,MCULE-2149655453	220.311	GNRDGYYXAFJFRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018969
CCCc1ccc2n1C(=O)N(C2)CC(C)C	PC-id_91033343	220.311	FLQIHNBJPUOKMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018970
CCCc1n(CCC)cc2c1CN(C2=O)C	SCHEMBL18779169	220.311	ULZZYXWSMHWJPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018971
CCC(c1n(C)nc2c1C(=O)CC2(C)C)C	PC-id_142345884	220.311	JLSMDQCVAWMERZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018972
CC(C)CCn1nc2CCC(C)c2c1C=O	MCULE-5061444392,EMOLS-id_330986173	220.311	OQMMXXRJVSKUMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018973
CC(C)C(C)n1nc2CCC(C)c2c1C=O	MCULE-5775885313,EMOLS-id_330989236	220.311	INBIOYDFQWNCDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018974
CC(C)C(C)n1nc(C=O)c2C(C)CCc12	EMOLS-id_331003390,MCULE-6348053803	220.311	VMKYBJLJVMMNPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018975
CC(C)CCn1nc(C=O)c2C(C)CCc12	MCULE-1743761289,EMOLS-id_331005180	220.311	MGFCBBDZYJBJDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018976
C=CC[C@H]1CCc2n1c(=O)n(c2)C(C)(C)C	PC-id_102170869	220.311	NNEHVYDSOGOXSY-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-018977
CC(C[C@@H]1NC(=O)n2c1ccc2C(C)C)C	PC-id_101788067	220.311	PLIAPHZUHKPZFB-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-018978
CC(n1nc2CCC(C)c2c1O)C1(C)CC1	EMOLS-id_331006628,MCULE-8477888696	220.311	ATNZKMPSJXEXOD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018979
CNCCn1c(C=O)cc2c1CC(C2)(C)C	SCHEMBL21017743,PC-id_138649402	220.311	LDBDUBSAXJCBQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018980
n1(CC2CCCC2)c(CO)c2c(CCC2)n1	MCULE-9684218121,EMOLS-id_324390749	220.311	BEINFOGGYXXAML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018981
o1c2c(c(CN3CCNCC3)c1C)CCC2	PC-id_82616440	220.311	UEXQLKVYCUWEOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018982
o1nc2c(c1CCC1CCNCC1)CCC2	PC-id_83858724	220.311	VZWCDSIMGJZBTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018983
o1nc2c(c1CCC1NCCCC1)CCC2	PC-id_83858723	220.311	LNNINSBTGUWRFR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018984
O=CN(Cc1c(C)cn2c1CC(C2)(C)C)C	SCHEMBL18779171	220.311	VZVRKBDLUYOFJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018985
O=CNCCc1c(C)cc2n1CC(C2)(C)C	SCHEMBL19314918	220.311	QTQAVDGVYKDATM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018986
O=C(N(CC)CC)Cc1[nH]c2c(CCC2)c1	PC-id_11622658	220.311	RCSICIZBMVWFJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018987
O=CNCCn1c(C)cc2c1CC(C2)(C)C	PC-id_142291316	220.311	FSEWPWCVPDAKEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-018988
c1(C(C)NC2CCCC2)nnc2CCCn12	PC-id_43748067,MCULE-9049403082	220.314	PIZSJVMWUMXDPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018989
c1(C(C)NC(C)C2CC2)nnc2CCCn12	MCULE-6300839575,PC-id_43748151	220.314	DQUPESYYNJEGLX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018990
CC1CC(C1)NC(c1nnc2n1CCC2)C	PC-id_104862508	220.314	HCHSZWJETYLFAA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-018991
CC1CCc2c1[nH]nc2NC1CCNCC1	PC-id_114698118	220.314	UHUUQZQOVUHWEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018992
CC1(C)CCc2c1[nH]nc2NC1CNCC1	PC-id_114697991	220.314	OUYAQOIFWVZIKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018993
CCC1CCc2c1[nH]nc2NC1CNCC1	PC-id_114697910	220.314	CXVLXVNATVADOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-018994
C(Cc1n[nH]c2CCCc12)N1CCNCC1	MCULE-8349403464,EMOLS-id_313915987,PC-id_84686097	220.314	KTKAPSYOZQVAHZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018995
CCCCC(CC)c1nnc2n1N=C(C2)C	PC-id_91700800	220.314	XFAGYHHTGCJYNH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-018996
CN1Cc2c(C1)c([nH]c2)CN1CCNCC1	PC-id_96607690	220.314	LFWNTWIAAURIGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018997
Cn1nc(c2c1CNC2)CN1CCCCC1	PC-id_97519212	220.314	GAKPAOZHUSDWBK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-018998
C(NCc1n[nH]c2c1CCC2)CNC1CC1	PC-id_104378335,EMOLS-id_314999538	220.314	KVMGHDXSSIOUBW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-018999
n12c(CCC1)c(nc2CN1CCNCC1)C	PC-id_82661806	220.314	HQKCYJSQBORDTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019000
n12CCCc1nnc2CCC1CCCNC1	MCULE-6790022297,PC-id_61705398	220.314	NOBZSMXVLHPYGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019001
n12c(nnc1CCC2)CC1(N)CCCCC1	PC-id_64672612,EMOLS-id_40693002	220.314	SCVUJRQYUUDZGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019002
n12c(nnc1CCC2)CCC1CCNCC1	PC-id_62216528,EMOLS-id_38857137	220.314	OYRNBSDIPOZATM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019003
n12c(nnc1CCC2)C(N)C1CCCCC1	PC-id_61014146	220.314	CWJZWNZOULNZLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019004
N1(Cc2nn(c3c2CCC3)C)CCNCC1	PC-id_82509298	220.314	TWHFKQRKLVYZRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019005
N1(Cc2n(nc3c2CCC3)C)CCNCC1	PC-id_84686098	220.314	MJYLMFQHJLMCKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019006
N1(CC(CC1)Cc1nn(c2c1CNC2)C)C	PC-id_83849609	220.314	ZPTQWIZQUPAZGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019007
N1(CC(CC1)Cc1n(nc2c1CNC2)C)C	PC-id_83849615	220.314	IPUKJUWPFTYQKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019008
N1(CCCC1)CCc1nn(c2c1CNC2)C	PC-id_83849613	220.314	NAKRQLCYXMGDQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019009
N1(CCCC1)CCc1n(nc2c1CNC2)C	PC-id_83849619	220.314	WQIDVXVXRLQZLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019010
N1C(CCCC1)CCc1n2CCCc2nn1	PC-id_62216527	220.314	DQOZPZHAVSUTAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019011
N1(CCCCC1)CCc1n[nH]c2c1CNC2	PC-id_83849614	220.314	XKCOHJBLNQJQNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019012
N1(CC(NCC1)Cc1n[nH]c2c1CCC2)C	PC-id_83858884	220.314	ZYHOQDFAHWHVPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019013
NC1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_98847255	220.314	ZLLVEQLCWFFTHJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019014
N(CC1CCC1)C(c1n2CCCc2nn1)C	PC-id_80485499	220.314	FUDKYOCKLHPWBY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019015
N#Cc1c(NC=[N+](C)C)sc2c1CCC2	GD-id_ZINC06129688,PC-id_1591856	220.314	LMUYFGDTLHZRRW-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-019016
N[C@@H]1CCCC[C@H]1NC1CCn2c1ncc2	EMOLS-id_102151077	220.314	BMFLNEUGOLIWOP-DIOIDXFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019017
C#CCCCC(c1sc2c(c1)CCC2)O	PC-id_115831689	220.331	VZKQXDKKHMXOON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019018
CC#CCCC(c1sc2c(c1)CCC2)O	PC-id_115833582	220.331	JQCIWWVOZCWIQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019019
C=CCCCC(=O)c1sc2c(c1)CCC2	PC-id_114974846	220.331	LPEGDIKEXRBIHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019020
CCC(=C)CC(=O)c1sc2c(c1)CCC2	PC-id_115781274	220.331	WHAMNEJRUVSMFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019021
CC(=C)CCC(=O)c1sc2c(c1)CCC2	PC-id_115803005	220.331	LPXBFIDQSBMEFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019022
O=C(c1sc2c(c1)CCC2)C1CCCC1	PC-id_114962333,EMOLS-id_313645893	220.331	FGXNTCREWWLEEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019023
O=C(c1sc2c(c1)CCC2)CC1CCC1	EMOLS-id_266456458,PC-id_114974044	220.331	CNZUMBONVYEVQC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019024
O=C(c1sc2c(c1)CCC2)CCC1CC1	PC-id_114978308	220.331	DWSZSNYHRZESEC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019025
s1c2c(CCC2)cc1C(O)C1=CCCC1	PC-id_62079839	220.331	NOQZLYGLUPTUCI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019026
C1=CCC(C1)NCc1sc2c(n1)CCC2	PC-id_115887890	220.334	IVKSIGMORRHXDB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019027
C1CN=C(C1)NCc1sc2c(c1)CCC2	EMOLS-id_42318585,PC-id_79507816	220.334	CSQZFEBMZHDNEX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019028
CC#CCC(c1sc2c(c1)CCC2)NN	PC-id_105290626	220.334	MPIRMOOHYDNIIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019029
C#CCCC(c1sc2c(c1)CCC2)NN	PC-id_105307855	220.334	PKCFHIVTEQCTJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019030
CC#CCNC(c1sc2c(n1)CCC2)C	PC-id_115997504	220.334	OUKJUNFUICHFCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019031
CCC(NCc1sc2c(c1)CCC2)C#N	PC-id_61697917,EMOLS-id_38512255	220.334	MQUFDLRMIXWYDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019032
N#CC(c1sc2c(n1)C(CC2)(C)C)(C)C	PC-id_103097216	220.334	GJAORKLYJOREHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019033
N#CC(CNCc1sc2c(c1)CCC2)C	EMOLS-id_38138639,PC-id_61207975	220.334	MLPOJQPVAPKKHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019034
N#CCC(NCc1sc2c(c1)CCC2)C	EMOLS-id_38138681,PC-id_61208172	220.334	MCWGYQKBTCHIDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019035
s1c(CNCCCC#N)cc2CCCc12	EMOLS-id_38138727,PC-id_61207428,MCULE-8117529515	220.334	QDODWVVRTDEXPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019036
CC(C1c2ccoc2CC1C(C)(C)C)(C)C	PC-id_139483491,SCHEMBL21350572	220.35	UPNASRJRHCBOAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019037
CCC1c2[nH]cnc2C(C1C(C)(C)C)CC	PC-id_68365329,SCHEMBL12727233	220.354	YHPNYQWTETYCFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019038
CCC1CCc2n1c(C(C)C)c(n2)C(C)C	PC-id_140931309	220.354	SZEJEBLAERIXCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019039
CCC1Cn2c(C1)nc(c2C(C)C)C(C)C	PC-id_140931305	220.354	BRSBVPQKAUIHMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019040
CC(c1c(nc2n1CC(C2)(C)C)C(C)C)C	PC-id_140931302	220.354	MRAHPIFPIDSFGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019041
CC(c1c(nc2n1C(C)(C)CC2)C(C)C)C	PC-id_140931299	220.354	VMMKUYIOWGHAAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019042
CC(c1n2CCCc2nc1C(C)(C)C)(C)C	PC-id_71288929,SCHEMBL14752201	220.354	JFJUGSSLKHMMIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019043
CCc1nc2n(c1C(CC)(CC)C)CCC2	SCHEMBL14754846,PC-id_71290317	220.354	BOSWWMNXFHCKOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019044
CC(C1NC(c2c1[nH]cc2)C(C)(C)C)(C)C	PC-id_68197729,SCHEMBL12018313	220.354	NXZHTYXGFQZDQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019045
CCn1nc(c2c1C(C)(C)CC2)C(C)(C)C	PC-id_121387048,SCHEMBL17811624	220.354	CTAAMUAYCVEQNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019046
NCC1(C)CC(c2c1c(C)n(c2C)C)(C)C	MCULE-1145145109	220.354	XNHGCAFZEKFRAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019047
[nH]1c2CC(C(C)(C)C)Cc2nc1C(C)(C)C	PC-id_72613162	220.354	HPFNONRRDWRQHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019048
[nH]1c2c(c(C(C(C)C)CCN)c1C)CCC2	PC-id_84787630	220.354	MXZKRJBRFIVPOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019049
s1c2C(C(=C(c2cc1)CCC)CCC)C	PC-id_86247138	220.374	IRORZVUABVBYKM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019050
s1c2c(C(C(=C2C)CCC)CCC)cc1	PC-id_11074931	220.374	LSEJZXZFTUHAKK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019051
ClC1=Nc2n(C1S(=O)(=O)N)ccn2	PC-id_140059738	220.637	QSARRJSIBUFUNT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019052
CC1CCc2c1c(Cl)nn2CC(F)F	EMOLS-id_330975998,MCULE-3855098529	220.647	HDYMFLPSXOOBKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019053
CC1CCc2nn(CC(F)F)c(Cl)c12	MCULE-6719807875,EMOLS-id_330962352	220.647	QQEDERLURZOMKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019054
ClS(=O)(=O)c1c2CCCc2oc1C	PC-id_83486598	220.673	PFPIZPRKNRTOJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019055
c1(c2CCCc2nn1C)S(=O)(=O)Cl	PC-id_84686280,EMOLS-id_114754751,MCULE-4211525762	220.677	XEFRGWIGMGMCCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019056
c1(c(C)nc2CCCn12)S(=O)(=O)Cl	MCULE-6476629661,PC-id_84686278,EMOLS-id_50279318	220.677	ACVQSSGCZAFVJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019057
ClS(=O)(=O)c1nn(c2c1CCC2)C	PC-id_84686279	220.677	WQJINLGNDXQWDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019058
ClS(=O)(=O)Cc1cnc2CCCn12	EMOLS-id_97371637,MCULE-7156103008	220.677	ZSGUNGJNEMJRIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019059
ClS(=O)(=O)Cc1n[nH]c2CCCc12	MCULE-8052267994,EMOLS-id_314014403	220.677	FRUGOGYEDWDTQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019060
c1(C(=O)O)c2CSCc2sc1Cl	MCULE-2112100335,EMOLS-id_331062571	220.696	KSVUBFRSPDRXCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019061
c1(C(=O)O)sc2CSCc2c1Cl	MCULE-6445795476,EMOLS-id_330871619	220.696	AQQSYYLILGZZSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019062
c1(CCl)c2CSCc2sc1OC	EMOLS-id_331059242,MCULE-5240376282	220.739	XMZGQPQGXGZSGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019063
C1CN2C(=C(C=N2)C(=O)OC(F)(F)F)N1	PC-id_150268147	221.041	GCZFKKYJRFWMMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019064
Clc1sc(Cl)c2c1C(=O)CC2=O	CoCoCo_5770729,PC-id_396948,NSC704129	221.061	OLVGTMSJUKGPQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019065
O=C1C=C(c2c1c(Cl)sc2Cl)O	CoCoCo_5770731,CoCoCo_5770730	221.061	WAHBEPJALWOJBI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019066
c12COCc1sc(Br)c2O	MCULE-3026429993	221.072	AZTFUTVEDYVNQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019067
CC1Oc2c(O1)c(sc2)Br	PC-id_141256578	221.072	NKEQDBKTUBRDLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019068
CC1(COC1)C(=O)N[C@H]2CCN3C2=NC=C3	PC-id_164637154,ZINC22_1335970982	221.116	PQLZGYNTDPKBIX-QMMMGPOBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019069
CCc1nn2c(c1C(=O)OC)CN=C2CC	PC-id_164149935	221.116	PGHZYSANDSMVIA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019070
FC(F)(F)c1noc2c1C(CC2)C(=O)O	PC-id_83861463	221.133	FPSUFYGBCQKOKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019071
O=C(c1occ2c1CCC2)N1CCCCO1	EMOLS-id_102695651	221.252	MOELDHDQXPDQGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019119
C1Cc2nc(nn2C1C(F)(F)F)C(=O)O	PC-id_134563879,SCHEMBL20213516	221.137	CJGUYAWVEGQCHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019072
C1Cc2nc(nn2[C@@H]1C(F)(F)F)C(=O)O	SCHEMBL20213513,PC-id_134563877	221.137	CJGUYAWVEGQCHM-VKHMYHEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-019073
FC(F)(F)c1[nH]c2CN(Cc2n1)C(=O)O	PC-id_68716927,SCHEMBL3620603	221.137	RMYUYJVTFIQNFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019074
OC(=O)C1CCc2n1c(nn2)C(F)(F)F	PC-id_119028020	221.137	JIJRXIBRUQRICN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019075
Brc1cc2c(s1)SCC2	PC-id_96607623	221.138	DKWQFWOSCXXEFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019076
Brc1csc2CSCc12	EMOLS-id_337181677,PC-id_82392536,MCULE-3612146083	221.138	JKIONOLQPWOSAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019077
Brc1sc2c(CSC2)c1	PC-id_82392537	221.138	YCABBODERRHLCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019078
C[C@H](C(C)C)NC(=O)C1=C2CCCN2N=C1	PC-id_164821389	221.153	IUCGOYJAOOPODU-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019079
s1c2c(NC(=O)C2=O)cc1C(F)(F)F	PC-id_21860879	221.156	SPWJOLYEGPPOQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019080
c12cc(nn1CCN2CC(F)(F)F)CO	EMOLS-id_320438552,MCULE-4438283143	221.18	ZZABHGKZJNJYPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019081
c12c(CO)cnn1CCN2CC(F)(F)F	EMOLS-id_317865727,MCULE-8177493606	221.18	XFYRTFIZAYTDOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019082
n1(CC(F)(F)F)c(CO)c2c(CNC2)n1	MCULE-4960967358,EMOLS-id_324349801	221.18	SRHXPCJQTVIEAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019083
ON1Cc2c(C1)n(c(n2)C)CC(F)(F)F	SCHEMBL17380123,PC-id_118613867	221.18	ALGSWXPTIVTENL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019084
FC(F)(F)C(N)c1nnn2c1N(CC2)C	PC-id_82392521	221.183	GFLFCUZKGXVCBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019085
CC(C)C1(C(CC2=C1C=NN2)N)C(C)(C)C	PC-id_155091649	221.189	LWOKJQWKDBRTNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019086
CC(C)C1([C@@H](CC2=C1C=NN2)N)C(C)(C)C	PC-id_153482790	221.189	LWOKJQWKDBRTNT-JTDNENJMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019087
CC(C)C1([C@@H](CC2=C1N(N=C2)C)N)C(C)C	PC-id_153482821	221.189	LROBCAUUQRFNKV-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019088
CC(C)C1([C@@H](CN2C1=CC=N2)N)C(C)(C)C	PC-id_153482783	221.189	RLUMKDDZAMUOPK-VUUHIHSGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019089
C1Cc2c(C1)sc(=[Se])s2	PC-id_134893086	221.202	GSFSYFWHOMLQGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019090
CCOC(=O)C(=O)C1=C(c2cccn2C1)O	PC-id_134859030	221.209	ULSLHSLIUQKINU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019091
COC(=O)C1=C(C(=O)OC)n2cccc2C1	ZINC22_36449128,PC-id_11806240,EMOLS-id_323906707,MCULE-5464214985	221.209	OOMMNKRJFWPENM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019092
O1C(CCC1)CN1C(=O)c2[nH]cnc2C1=O	PC-id_44614511	221.213	VPQISZIWXBBCAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019093
O=C(N1Cc2c(C1)[nH]nc2C(=O)O)C1CC1	PC-id_69252807,SCHEMBL4949038	221.213	FZECOFRYTQJRQR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019094
c12ncnn1C(C(=O)N2)CC(=O)NC1CC1	SPECS-id_AN-153/NB26751,MCULE-8536678920,EMOLS-id_46468115,PC-id_136266815	221.216	PKPZWJJIRSIMLW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019095
O=C(C[C@@H]1C(=O)Nc2ncnn12)NC1CC1	ZINC22_95117656,PC-id_136677558	221.216	PKPZWJJIRSIMLW-ZCFIWIBFSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019096
O=C(C[C@H]1C(=O)Nc2ncnn12)NC1CC1	ZINC22_95117657,PC-id_136677559	221.216	PKPZWJJIRSIMLW-LURJTMIESA-N	00100010100000000001000010000000000000000000000000000000	25-01-019097
C=C/C=C(/C1CC(c2n1nc(n2)C=O)F)C	PC-id_142514973	221.231	YMRDXFMMVSZKHS-QPJJXVBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019098
s1c2c(C(CC2=O)CC(=O)N=[N+]=[N-])cc1	PC-id_21781771	221.236	IQGMNPHGDQAZFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019099
NC(c1cc2CCCc2s1)C(F)(F)F	MCULE-2419329335,EMOLS-id_313986112	221.243	CIDHRFHGDFCLTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019100
CCC[C@]1(Cc2c(C1=O)cc[nH]2)C(=O)OC	PC-id_101426553	221.252	WWLSQPGVFVCMSQ-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019101
CCCC1C(C(=O)c2c1[nH]cc2)C(=O)OC	SCHEMBL20227376,PC-id_134576103	221.252	PLAXODWWRLEHMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019102
CCC[C@H]1[C@H](C(=O)OC)C(=O)c2c1[nH]cc2	PC-id_101506015	221.252	PLAXODWWRLEHMH-CBAPKCEASA-N	00000010100000000000000010000000000000000000000000000000	25-01-019103
CCCCn1c(C)c2c(c1C)C(=O)OC2=O	PC-id_121003075	221.252	CYGRITVWCQASCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019104
CCOC(=O)C1CCn2c1ccc2C(=O)C	MCULE-3191085719,EMOLS-id_207810338	221.252	JLJKNPAACXLMOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019105
CCOC(=O)c1cc(n2c1CCC2)C(=O)C	PC-id_121386203,SCHEMBL17810128	221.252	LWFUJLQWKJVLIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019106
COC(=O)c1cc2C(=O)C(C)(C)Cc2n1C	EMOLS-id_317493723	221.252	OIHRSHJGEUMGEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019107
COC(=O)c1c(C)c(c2n1CCC2)C(=O)C	PC-id_139525092,SCHEMBL21398380	221.252	ZLMLZSWPGGJYHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019108
COC(=O)[C@@H]1[C@@H](C(C)C)c2c(C1=O)[nH]cc2	PC-id_101426546	221.252	WDXBUGAWIBPNGD-DTWKUNHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019109
COC(=O)[C@H]1[C@H](C(C)C)c2c(C1=O)[nH]cc2	PC-id_102285012,1506300_OpenMolecule	221.252	WDXBUGAWIBPNGD-BDAKNGLRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019110
o1c2c(C(NC3CC3)(CC2)CC(=O)O)cc1	PC-id_83838197	221.252	PNWFNZSLZZLPJM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019111
O1c2c(n(c(c2C)C(=O)C)C)C(C1=O)(C)C	PC-id_23386165	221.252	XPXRUBKAAHZKGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019112
O=C1c2c(C(C)(C)C)c([nH]c2CC1)C(=O)O	PC-id_44124983,SCHEMBL1004261	221.252	YBRDHVJBTREBIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019113
O=C1c2c(c(n(c2C(=O)O)C)C(C)C)CC1	PC-id_82616714	221.252	NASIUMLMSCHAGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019114
O=C1c2c(c([nH]c2C(=O)O)C(C)(C)C)CC1	PC-id_82616713	221.252	NYNUWPWGESEUOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019115
O=C1C(C(c2c1[nH]cc2)CCC)C(=O)OC	PC-id_73199857	221.252	NCNWQQSFFNAHMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019116
O=C1CC(C(C)C)c2c1[nH]c(c2)C(=O)OC	PC-id_10987817	221.252	FJVQOGRHHWUMNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019117
O=C1[C@@H]([C@H](c2c1[nH]cc2)CCC)C(=O)OC	PC-id_15605777	221.252	NCNWQQSFFNAHMP-IONNQARKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019118
O=C1CCn2c1cc(c2)C#Cc1ccccc1	PC-id_71117558,SCHEMBL14248983	221.254	HSYYRFSEZKIFLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-019120
c12CN(Cc1nn(CC1CC1)c2)C(=O)OC	MCULE-5111594834,EMOLS-id_324339041	221.256	VDKXJMJLBLJMQP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019121
C1CCC(C1)NC(=O)c1nn2CCOc2c1	PC-id_91959842	221.256	SSCHKOKCNXSSAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019122
C1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959879	221.256	OORJHFWFLCVLGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019123
c1(cn2c(CCC2)n1)C(=O)N1CCOCC1	EMOLS-id_321296339,MCULE-5298971164	221.256	LBAGGXZPDZUHEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019124
c1(cnn2CCCc12)C(=O)N1CCOCC1	EMOLS-id_317876220,MCULE-6944596143	221.256	RNQLNCVGVJJONI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019125
c1(C(=O)N2CCOCC2)c2CCCc2[nH]n1	MCULE-6225558207,PC-id_110388811,EMOLS-id_179744512	221.256	YFOSZIPZHBSHNM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019126
c1(C(=O)N2CCOCC2)cc2n(CCC2)n1	EMOLS-id_317875964,MCULE-4165118621	221.256	ZRTRDRLEFQYOQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019127
Cc1c2n(CCO2)nc1C(=O)N1CCCC1	PC-id_91959973	221.256	LSZLFFZPBUJTKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019128
CC1CCC(O1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317945143	221.256	AUCKBFQYBOBMGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019129
CC1CCC(O1)C(=O)N1CCn2c1ncc2	EMOLS-id_319548375	221.256	JLCGQXMMBZWJTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019130
CC1(C)OCc2c1n[nH]c2C(=O)NC1CC1	ZINC22_2325771025	221.256	SJOGYDKNGWPXRH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019131
CC1(C(=O)N[C@@H]2CCn3ccnc23)COC1	ZINC22_1335970979	221.256	PQLZGYNTDPKBIX-MRVPVSSYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019132
CC=CC(C(=O)N1Cc2c(C1)cnn2C)O	EMOLS-id_319766775	221.256	OKAPPPULJMXASN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019133
CC=CC(C(=O)NC1CCn2c1ncc2)O	EMOLS-id_316593216	221.256	AZZHDXDLRNAZJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019134
COC1CN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_336535958,MCULE-4696763652,EMOLS-id_324067843,PC-id_146075954	221.256	YFNUMEVVMFBWQK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019135
n1(CC2CCC2)nc2c(COC2)c1C=NO	MCULE-6892874516,EMOLS-id_324399709	221.256	ARTBXWFYTFPTSW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019136
o1nc(c2CCCc12)C(=O)N1CCNCC1	PC-id_82509322	221.256	QEQNVRUYYOIEQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019137
O=C1n2c(C(=O)N1CCCN)c(cc2C)C	PC-id_83680808	221.256	HKXJOLJKKZEVGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019138
O=C1NC(=O)c2ncn(CCCCCC)c12	PC-id_86170843	221.256	FKCPYSZMKODLGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019139
OCC1(CCC1)C(=O)N1CCn2c1ccn2	MCULE-7818927512,EMOLS-id_320095254	221.256	KWDAURJZPQVTEF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019140
O=C(C1CCC1)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_2325797049	221.256	ZXCNXLRZKVCBJJ-JTQLQIEISA-N	00001010100000000001000010000000000000000000000000000000	25-01-019141
O=C(C1CCC1)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_2325797050	221.256	ZXCNXLRZKVCBJJ-SNVBAGLBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019142
O=C(C1(C)COC1)NC1CCn2c1ncc2	EMOLS-id_317042450,MCULE-3255719276	221.256	PQLZGYNTDPKBIX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019143
O=C(c1nn2c(c1)OCC2)NCC1(C)CC1	EMOLS-id_99575521	221.256	CCHXCDVMSISDRM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019144
O=C(c1nn2c(c1)OCC2)N[C@H]1CC1(C)C	EMOLS-id_101668339	221.256	ZYBVKVGWLBFBFE-QMMMGPOBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019145
O=C(C1(O)CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_319074671	221.256	XOFVPROWOIJARM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019146
O=C(C1(O)CC1)NCc1nn2c(c1)CCC2	EMOLS-id_318924221	221.256	WODQLWNAMBWUAF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019147
O[C@H]1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110385115	221.256	JIMUXONCZCMHOO-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019148
O[C@@H]1CCN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_111561105,EMOLS-id_110386150	221.256	JIMUXONCZCMHOO-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019149
n1(nc(c2c1C=CC2)C#N)Cc1ccccc1	PC-id_23135142,SCHEMBL5529721	221.257	XVDKIMSSQSNNDZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-019150
n1(nc(c2c1CC=C2)C#N)Cc1ccccc1	SCHEMBL5526763,PC-id_23135164	221.257	HFXNMZCPEMAXIW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-019151
N#Cc1n[nH]c2c1CC=C2Cc1ccccc1	PC-id_69722106,SCHEMBL6254639	221.257	NXWCISSOJFIVPV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-019152
C/C(=C/C(=N)c1nc2c(n1C)CN(C2)O)/N	PC-id_144979143	221.259	HWBIRGDPJOEPIX-PPZXURNYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019153
CCn1c(nc2c1CNC2)C(=N)OC(=N)C	PC-id_144979587	221.259	IMLSDRJJIDTSEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019154
O=C1NCCNC1Cc1n2CCCc2nn1	PC-id_64279383	221.259	FNEYKHFSZCSSQS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019155
s1c2c(CCC2)c(c1N)C(=O)OCC#C	PC-id_82534055	221.276	RLYGZQNOMVUXNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019156
N#CC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_61876005,EMOLS-id_38623594	221.279	OBMBGFZVGZRFSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019157
NCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_39177854,EMOLS-id_37204812	221.279	PIWJBCHJXGGABL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019158
S(C1=C(C(=N)n2c1ccc2C)C(=O)N)C	PC-id_71377490	221.279	JVUOFZAGMFDLST-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019159
Cc1nsc(n1)NC1CCn2c1ncc2	MCULE-2805705042,EMOLS-id_316996572	221.282	HRFPFUQEDBVISH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019160
Cc1nsc(N[C@@H]2CCn3ccnc23)n1	ZINC22_894015323	221.282	HRFPFUQEDBVISH-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019161
Cc1nsc(N[C@H]2CCn3ccnc23)n1	ZINC22_894015324	221.282	HRFPFUQEDBVISH-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019162
Nc1scc(n1)Cc1nnc2n1CCC2	PC-id_43142804,EMOLS-id_37528469	221.282	GXSUACKALGQKNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019163
CCc1cn2c(c1)C(CC2)C(=O)OC(C)C	SCHEMBL10817629,PC-id_12795097	221.295	KLNDIXFKEXHPQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019164
CC(C1(C(=O)Nc2c1cco2)C(C)(C)C)C	PC-id_57786412,SCHEMBL13054921	221.295	OTJBQWTZOVDARB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019165
CCOCc1cn2c(c1COCC)CC=C2	PC-id_142636462	221.295	UAXDWNTUJZZTHV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019166
CCOCC1(COCC)C=Cn2c1ccc2	PC-id_141909276	221.295	XGJHPLPHORGNDX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019167
CCOC(=O)c1cc2c(n1C)CC(C2)(C)C	SCHEMBL18283793	221.295	YTSKJRPUJMNSHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019168
CCOC(=O)c1cc2c([nH]1)C(C(C2)(C)C)C	PC-id_145710753	221.295	LUYAAGNZSSSDOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019169
CCOC(=O)c1cc2c([nH]1)CC(C2C)(C)C	PC-id_145711625	221.295	VVTLALYNBZGKCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019170
COC(=O)c1cc2c([nH]1)CCC2CC(C)C	SCHEMBL1002588,PC-id_59180147	221.295	MNSLWHKWQPBBOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019171
o1c2c(CCC2)c(c1C(C)C)C(=O)C(N)C	PC-id_84686801	221.295	OKRKRKYKDCNBIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019172
o1c2c(CCC2)c(c1C(C)C)C(=O)CNC	PC-id_84686802	221.295	YGMABHGYLRJZTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019173
o1c2c(c(CNC3CC3)c1COC)CCC2	PC-id_83610054	221.295	CVRVAQDWHSVYJT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019174
O1c2c(n(c(c2C)CC)CC)C(C1=O)(C)C	PC-id_53720173	221.295	CGSVAYXGKAITMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019175
O1CC(n2c1cc(C(C)(C)C)c2C=O)(C)C	PC-id_10900176	221.295	GBXCLXHBZOKIKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019176
O1CC(n2c(C(=O)C(C)(C)C)ccc12)(C)C	PC-id_10987821	221.295	NBSMPLZBABHOSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019177
O(C(C)(C)C)C(=O)c1[nH]c2c(CCC2)c1C	PC-id_10036469	221.295	JVKRWNDIPFXWTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019178
OC(=O)c1c2c(n(c1C)CC(C)C)CCC2	PC-id_28473714	221.295	FKIHPWVFIYLHQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019179
O(C(=O)c1[nH]c2c(CCC2)c1CCC)CC	PC-id_10376222	221.295	BZNZOWNMNIXINQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019180
OC(=O)C(c1c2c([nH]c1C)CCC2)C(C)C	PC-id_84788027	221.295	ZKIBFWUAKUOISU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019181
OC(=O)Cc1c2c([nH]c1C(C)(C)C)CCC2	PC-id_84787976	221.295	HTCIWCCNQQKCLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019182
O(C(=O)Cc1c2n(CC(C2)CC)cc1)CC	PC-id_85839887	221.295	GNJOHCFKJVPGPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019183
OC(=O)C(C1CCc2c1cn(c2)C(C)C)C	PC-id_83910582	221.295	JWGAUKFKFAOBLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019184
OC(=O)CC1CC(n2c1ccc2)CC(C)C	PC-id_83642270	221.295	WDLCGMAXUBYRRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019185
O(C(=O)Cc1cn2CC(Cc2c1)CC)CC	PC-id_85839889	221.295	QNTQCPPCUZUOSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019186
OC(=O)Cc1n2CC(Cc2c(c1C)C)(C)C	PC-id_59999522	221.295	AELFAOGIHZVJCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019187
O(C(=O)Cc1n2CC(Cc2cc1)CC)CC	PC-id_85839885	221.295	NNFUEMGAMZPDNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019188
O(C(=O)CCc1n2CC(Cc2cc1)CC)C	PC-id_23273332	221.295	UZZBANXTMFBGJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019189
O(C(=O)CCCCc1[nH]c2c(CCC2)c1)C	PC-id_71349314	221.295	UEYHIQHCYSKNIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019190
c12CN(Cc1coc2CN1CCNCC1)C	MCULE-9577599687,PC-id_96606999	221.299	HQBQGIVUPSONGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019191
c12N(C)CCc1oc(CN1CCNCC1)c2	MCULE-7913937028	221.299	VNSBYXDMBFYRMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019192
C1Cc2c(C1)nc([nH]2)CCN1CCOCC1	PC-id_91272965	221.299	YIZVLBFDUILTIG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019193
c1(C(=O)N)c2C(C)CCc2n(C(C)CC)n1	EMOLS-id_331038980,MCULE-2644099392	221.299	LREGQQWIKQJJHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019194
c1(C(=O)N)c2C(C)CCc2n(CC(C)C)n1	MCULE-4395030451,EMOLS-id_331041281	221.299	JJAJYNCFCGIZAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019195
c1(C(=O)N)c2C(C)CCc2n(C(C)(C)C)n1	MCULE-9138397305,EMOLS-id_331040515	221.299	NFBJYLSQOQHZBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019196
c1(C(=O)N)c2C(C)CCc2nn1C(C)(C)C	EMOLS-id_330958274,MCULE-6452794598	221.299	ZKUWIQSTDQHJQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019197
c1(C(=O)N)c2C(C)CCc2nn1CC(C)C	MCULE-2350357536,EMOLS-id_330959040	221.299	UPKYKTKDNPFGSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019198
c1(C(=O)N)c2C(C)CCc2nn1C(C)CC	MCULE-5926694466,EMOLS-id_331022264	221.299	YPMHXZRFOJQVGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019199
c1(C(=O)NC)c2CCCc2n(CC(C)C)n1	MCULE-6172133456,EMOLS-id_324389462	221.299	CSCLTZCKKKDRMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019200
c1(C(=O)NCC)c2CCCc2n(C(C)C)n1	MCULE-1630201017,EMOLS-id_324387415	221.299	OJXYMYBOTKVMNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019201
c1(C(=O)N(C)C)c2CCCc2n(CCC)n1	MCULE-9191516563,EMOLS-id_324387158	221.299	FLXYYXIKYWDVFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019202
c1(C(=O)NCC)c2CCCc2nn1CCC	MCULE-1714369728,EMOLS-id_324394832	221.299	HVFWZZGAPQKOMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019203
c1(C(=O)NC(C)CC)c2CCCc2n(C)n1	MCULE-5283002786,EMOLS-id_179745001,PC-id_110388978	221.299	KQNXKDIMHKLPPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019204
c1(C(=O)NC(C)(C)C)c2CCCc2n(C)n1	MCULE-9176111025,EMOLS-id_179745214,PC-id_110389050	221.299	GTBPGEALTVRQFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019205
c1(C(=O)NCCCC)c2CCCc2n(C)n1	MCULE-9805443294,PC-id_110388976,EMOLS-id_179744995	221.299	WFSUGKFJKQCFGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019206
c1(C(=O)NCC(C)C)c2CCCc2n(C)n1	PC-id_110388977,EMOLS-id_179744998,MCULE-1956968040	221.299	MYYGAVQCLMSOIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019207
c1(C(=O)N(CC)CC)c2CCCc2n(C)n1	PC-id_110389046,EMOLS-id_179745202,MCULE-3798003327	221.299	ZFOZKYSYAWQIHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019208
c1(C(=O)NCCCCC)c2CCCc2[nH]n1	MCULE-2854159742,EMOLS-id_179744676,ZINC22_49679140,PC-id_110388869	221.299	RUOZFGZQRWMYBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019209
c1(C(=O)NCCC(C)C)c2CCCc2[nH]n1	PC-id_110388868,EMOLS-id_179744673,MCULE-3645812234	221.299	GYBNNRISHFGZBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019210
c1(C(=O)N(C)CCCC)c2CCCc2[nH]n1	PC-id_110388870,MCULE-7281450183,EMOLS-id_179744679	221.299	YUPSILNSWGUGQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019211
c1(C(=O)NCCC(C)C)cn2c(CCC2)n1	EMOLS-id_321297111,MCULE-3459330538	221.299	HBVQKFSXXXPSND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019212
c1(C(=O)NCCCCC)cn2c(CCC2)n1	EMOLS-id_321297367,MCULE-1354679438	221.299	KEQHPQKYEZJBMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019213
c1(C(=O)N(C)CCCC)cn2c(CCC2)n1	EMOLS-id_321297623,MCULE-1200390538	221.299	ZWRSRQQJDWEWBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019214
o1nc2c(c1CC1NCCN(C1)C)CCC2	PC-id_83858722	221.299	ILUIJTXPBPGFFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019238
c1(NC2CCC(CC2)N)oc2c(CCC2)n1	MCULE-5362391444	221.299	LLHIEWATWFSBES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019215
c1(N(C)C2CCCNC2)oc2c(CCC2)n1	MCULE-7334427848	221.299	LVDVXXLHXURTLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019216
c1(N(C)CC2CCCN2)oc2c(CCC2)n1	MCULE-2614474119	221.299	BYPXNJYKEKZEQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019217
c1(N(CC(C)N)C2CC2)oc2c(CCC2)n1	MCULE-6228929931	221.299	NQHCBXZQAHGXHW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019218
CC1CCc2c1c(C=O)nn2CCN(C)C	EMOLS-id_331004925,MCULE-8439666458	221.299	ONXGZBOGJFDCNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019219
CC1CCc2nn(CCN(C)C)c(C=O)c12	MCULE-6445653389,EMOLS-id_330985918	221.299	QGTGIERXXHDOAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019220
CC1(CCNCC1)Oc1n[nH]c2CCCc12	MCULE-9736030009,EMOLS-id_313869648	221.299	HQXJJSYCXPUNGP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019221
CC1(C)OC(c2c1c([nH]n2)NC1CC1)(C)C	PC-id_79927323,EMOLS-id_314422628	221.299	ZWNRNEQYLKEDEX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019222
CC(C1(C(=O)Nc2c1[nH]cn2)C(C)(C)C)C	SCHEMBL13054929,PC-id_57786446	221.299	CSTFVJVOCCIZQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019223
CCc1n[nH]c2c1CN(C2)C(=O)CC(C)C	PC-id_117611717,SCHEMBL16123824	221.299	KJBZGSLFEUEQOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019224
CCc1n[nH]c2c1CN(C2)C(=O)C(C)(C)C	SCHEMBL16123828,PC-id_117611721	221.299	AJKTZCPIOFSCPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019225
CC(CC(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319645446	221.299	JEHWYBLKEYBENX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019226
CCC(C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319902084,MCULE-5245132662	221.299	YGGKFLRTRNURLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019227
CC(CC(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319425315	221.299	QMYYRTOHBNFPFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019228
CCC(C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319916001,MCULE-8571092609	221.299	CAWBXDHFFOBWNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019229
CC(C(=O)N1Cc2c(C1)c(n[nH]2)C(C)C)C	SCHEMBL17229762,PC-id_118489285	221.299	YKXASEPFHREVAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019230
CC(N1C(=O)C(n2c1ncc2C(C)C)C)C	PC-id_58310286,SCHEMBL12565974	221.299	DRGCPIVYTZJOMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019231
CN(C)Cc1c2COCc2nn1CC1CC1	MCULE-3751554466,EMOLS-id_324402777	221.299	JQYYXICDVZSRGC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019232
n1(CC2CCCC2)c(CO)c2c(CNC2)n1	MCULE-8144371359,EMOLS-id_324348521	221.299	OCWOTJZINFDJFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019233
NC(c1nc2c([nH]1)CCC2C)C1COCC1	PC-id_102970176	221.299	GBPKYUNPOYLOBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019234
O1C(CCC1)CNCc1n[nH]c2c1CCC2	PC-id_61395250	221.299	UAXADYLWLDZZOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019235
O1CCC(Cc2nn(c3c2CNC3)C)CC1	PC-id_83849733	221.299	SVZRLQFXPFIIAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019236
O1CCC(Cc2n(nc3c2CNC3)C)CC1	PC-id_83849734	221.299	UNACHGRGOQYHGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019237
o1nc2c(c1CCN1CCCCC1)CNC2	PC-id_83849732	221.299	HBQARHSMMMBNKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019239
o1nc(c2CCCc12)CCN1CCNCC1	PC-id_82509368	221.299	KQQSOGVBAPRNDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019240
OC1(Cc2n[nH]c3CCCc23)CCCNC1	EMOLS-id_313879632,MCULE-6173805956	221.299	RICCJCWQRZHKCA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019241
OC1(Cc2n[nH]c3CCCc23)CCNCC1	MCULE-7192577345,EMOLS-id_313879376	221.299	HAYHOANAZGPFMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019242
O=c1n(CC2CCCCN2)[nH]c2c1CCC2	PC-id_105478056	221.299	SQGJBNDFTLCHCD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019243
O=c1n(CC2CCCNC2)[nH]c2c1CCC2	PC-id_105478055	221.299	ZPOGLRWLSNQHNI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019244
O=c1n(CC2CCNCC2)[nH]c2c1CCC2	PC-id_105478054	221.299	BAEFGHVQHKSSGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019245
OC(C1CCCNC1)c1[nH]c2c(n1)CCC2	PC-id_84735315	221.299	HFUFLVPWBHFANY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019246
OC(C1CCNCC1)c1[nH]c2c(n1)CCC2	PC-id_84735314	221.299	ZAFPHLFAVSDZJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019247
OC(C1NCCCC1)c1[nH]c2c(n1)CCC2	PC-id_84735313	221.299	MFFRXIZFWQARIR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019248
O=C(C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_317919589	221.299	BAMXCSJIJZNOBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019249
O=C(C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319338249	221.299	SMCPRCAZQYEOOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019250
O[C@@H]1CC[C@H](CC1)NC1CCn2c1ncc2	EMOLS-id_98847321	221.299	WZADLFNZRVIBCO-SXYIOBQASA-N	00000010100010000001000010000000000000000000000000000000	25-01-019251
O=C(N(CC)CC)CC1Cc2[nH]cnc2C1	PC-id_20738527	221.299	GYCGXNQGJBNOAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019252
c12N(C)CCn1nc(CN1CCNCC1)c2	MCULE-5057347182	221.302	WHEARIPLXAKRIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019253
CCn1cc2CN(Cc2n1)CNCC(=C)N	SCHEMBL20738557,PC-id_137495586	221.302	IHSADCHZQTTXRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019254
CN1CCN(CC1)Cc1[nH]c2c(n1)CNC2	PC-id_112719829	221.302	CPGCYYCGGVMNSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019255
N1(C(c2n3CCCc3nn2)C)CCNCC1	PC-id_62309855	221.302	CYBCVWFMYBFQLT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019256
N1(Cc2n3CCCc3nn2)CCCNCC1	PC-id_62825001,EMOLS-id_39398137	221.302	BQUMSMVLSKOJRI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-019257
N1(CCc2n3CCCc3nn2)CCNCC1	PC-id_82509409	221.302	IQDFEHDNBKYHQA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019258
N(C1CCNC1)C(c1n2CCCc2nn1)C	PC-id_79731357	221.302	JWNKJOLJWJGUNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019259
N(C1CC(N)C1)C(c1n2CCCc2nn1)C	PC-id_80560777	221.302	YVLMBVQMUDURPH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019260
NC(c1nnn2c1N(C)CC2)C1CCCC1	PC-id_112485617	221.302	JNCIALLZBKOQKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019261
CC(c1sc(c2c1C(=O)N=C2)C(C)C)C	SCHEMBL17340098,PC-id_118579689	221.319	CHGMAEAOFLGRFN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019262
CC(=C)CNC(=O)c1sc2c(c1)CCC2	PC-id_114618732	221.319	DEOLBSMVNLWWOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019263
C=CCCNC(=O)c1sc2c(c1)CCC2	PC-id_116036835	221.319	ZHNJZVREOWHMJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019264
CC=CC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_266462583,PC-id_78978837	221.319	JHWUYLXCQOBRSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019265
NC(c1sc2c(c1)CCC2)C1=CCCO1	PC-id_102653578	221.319	BEZRPCJPVOWCKO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019266
N#CCCC1(C)Cc2c(C1O)cc(s2)C	SCHEMBL11931745,PC-id_59542374	221.319	ILIYIOGMHBBWET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019267
O=C(C1CC1)NCc1sc2c(c1)CCC2	EMOLS-id_38692619,PC-id_61948245	221.319	YTLIBNONLMWFBG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019268
O=C(c1sc2c(c1)CCC2)N1CCCC1	EMOLS-id_37208814,PC-id_60644343	221.319	BWCASKCWFJZCTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019269
O=C(NCC1CC1)c1cc2c(s1)CCC2	MCULE-3591701518,ZINC22_29792237,CoCoCo_4747027,PC-id_37036472,EMOLS-id_45748037	221.319	QJGJDNVUULOQFM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019270
C1C(Sc2c1scc2)S(=O)(=O)N	PC-id_88484650,SCHEMBL9581120	221.32	FMVIOHVTSLCVFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019271
Cc1sc2c(c1)S(=O)(=O)N(S2)C	PC-id_117884263,SCHEMBL16479817	221.32	LEFQSPADAIRDLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019272
NS(=O)(=O)c1cc2c(s1)CCS2	PC-id_67872246,SCHEMBL9539111	221.32	AVYKIUBTWJBYDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019273
NS(=O)(=O)c1cc2c(s1)SCC2	PC-id_21735779,SCHEMBL9463920	221.32	LARGSUKLJZJHPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019274
c1(cc2c(CCC2)s1)/C(=NN)/NC1CC1	PC-id_61363265,MCULE-1153274467	221.322	TUCACTDHFJPTGX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019275
C1CN=C(N1)NCc1sc2c(c1)CCC2	PC-id_115601359	221.322	OHMXYFSGHSMJPG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019276
CNC(=NC)c1c(N=C)sc2c1CCC2	PC-id_144415598	221.322	AMLZXQVYSDEFEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019277
N#CCC(NCc1sc2c(n1)CCC2)C	PC-id_104586858	221.322	UTNMDCQDXNUVLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019278
c1(CNCCCC)c(CC)oc2CCCc12	MCULE-3087754583,PC-id_83610203	221.339	ZVFXUYUTRBIDTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019279
CC(c1[nH]c(c2c1COC2)C(C)(C)C)(C)C	SCHEMBL19318446	221.339	LPBNAXFPBRESQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019280
CC(c1[nH]c(c2c1OCC2)C(C)(C)C)(C)C	SCHEMBL19324319	221.339	CUVIYNRBFAUFFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019281
o1c2c(CCC2)c(c1C(C)C)CNC(C)C	PC-id_83610278	221.339	FFLAHLYQEZUVAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019282
o1c2c(CCC2)c(c1C(C)C)CNCCC	PC-id_83610279	221.339	ZRPLUKGSLCKJNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019283
o1c2c(CCC2)c(c1CCC)CNC(C)C	PC-id_83610350	221.339	IDNSDUHCKOYFIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019284
o1c2c(CCC2)c(c1CCC)CNCCC	PC-id_83610351	221.339	SAMGQAJTZWPHCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019285
o1c2c(CCC2)c(c1CC)CNCC(C)C	PC-id_83610204	221.339	PUYWMSREIBRKGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019286
o1c2c(CCC2)c(c1CC)CNC(CC)C	PC-id_83610205	221.339	MYVLGLVRYSHUJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019287
o1c2c(c(C(C(C)C)CCN)c1C)CCC2	PC-id_84788227	221.339	IZJBNIYTLZARCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019288
o1c(C(C)(C)C)c(c2c1CCC2)CNCC	PC-id_83610492	221.339	MATMZUFZADBNAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019289
c12CCC(C)c1c(nn2C(CC)CC)CN	EMOLS-id_331017978,MCULE-9497596993	221.342	ABJCVFVZJGVMQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019290
c12C(C)CCc1n(nc2N)CCC(C)(C)C	MCULE-4243790913,EMOLS-id_330965490	221.342	DJBXWQLHYTUUFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019291
c12C(C)CCc1n(nc2N)CC(CC)CC	MCULE-9083510059,EMOLS-id_330966514	221.342	FLQQESOBIAYBSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019292
c12C(C)CCc1nn(CCC(C)(C)C)c2N	EMOLS-id_331015588,MCULE-3946363482	221.342	MRXUSDHIDXMDQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019293
c12CCC(C(CN)C)c1c(C(C)C)n(C)n2	MCULE-2806865296	221.342	FYUPBFAYPABKKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019294
c1(CN)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_331000762,MCULE-3700009895	221.342	QPHBMRNAZVRLSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019295
c1(CN(C)C)c2CCCc2nn1C(C)(C)C	EMOLS-id_324389983,MCULE-2486826394	221.342	CFHOWGJOJVIART-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019296
CC1CCc2c1c(CN)nn2CC(C)(C)C	EMOLS-id_331017466,MCULE-2333839837	221.342	ATFCPJUZKKGUCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019297
CC1CC(c2c1[nH]nc2NC(C)(C)C)(C)C	PC-id_106664109	221.342	ZPAIIXVOACUYHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019298
CC1CCc2nn(CC(C)(C)C)c(CN)c12	EMOLS-id_331000506,MCULE-7595150300	221.342	WUFHZJGDANCDRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019299
Cc1nn(c2c1CN(C2)C(C)(C)C)C(C)C	SCHEMBL19498090	221.342	ATQIKVJPQGXQDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019300
CCC1CCc2c1nc([nH]2)C(CC(C)C)N	PC-id_102970625	221.342	BPXSDZZNGWMIBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019301
CCC1CCc2c1nc([nH]2)[C@H](C(C)(C)C)N	PC-id_102970647	221.342	HJVUSVUQDUEGMS-QHDYGNBISA-N	00000010100000000001000010000000000000000000000000000000	25-01-019302
CCC1CCc2c1nc([nH]2)CNC(C)(C)C	PC-id_107447102	221.342	YDYRDPCPHKADMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019303
CC(c1nc2n(c1)C(CN2)C(C)(C)C)(C)C	SCHEMBL21305227,PC-id_139442654	221.342	QECFNEFNZQNSCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019304
CC(c1n[nH]c2c1CN(C2)CC(C)(C)C)C	SCHEMBL17229861,PC-id_118489378	221.342	GBNWAHZHACRLFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019305
CC(c1nnn2c1CCC2C(C)(C)C)(C)C	PC-id_118198841,SCHEMBL16864590	221.342	YIBUKHFADCJKLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019306
CC(C)c1nn(c2CC(N)Cc12)C(C)(C)C	EMOLS-id_337958941	221.342	GUIKFNZRBJVFMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019307
CC(C)(C)c1c2CN(Cn2nc1)C(C)(C)C	SCHEMBL15979373,PC-id_90363142	221.342	ZERBNGJBQQIGGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019308
CC(C)(C)c1cn2CN(Cc2n1)C(C)(C)C	SCHEMBL15979369,PC-id_90363138	221.342	VLKQXMUJURSVTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019309
CC(C)(C)c1cnc2n1CN(C2)C(C)(C)C	PC-id_90363140,SCHEMBL15979371	221.342	MLKVPOPKPYOAEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019310
CC(C)(C)c1nn2CN(Cc2c1)C(C)(C)C	SCHEMBL15979370,PC-id_90363139	221.342	XURVGGNECBMVKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019311
CCC(CC)Cn1nc2CCC(C)c2c1N	MCULE-1717424055,EMOLS-id_331016612	221.342	HYUIWEHYEPGYGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019312
CC(C)CCn1nc2CCC(C)c2c1CN	EMOLS-id_330998457,MCULE-6283195575	221.342	IUKROIGQHCZUSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019313
CC(C)C(C)n1nc2CCC(C)c2c1CN	MCULE-5365077705,EMOLS-id_331001520	221.342	JKRDKQQOZVVJOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019314
CC(C)C(C)n1nc(CN)c2C(C)CCc12	EMOLS-id_331017722,MCULE-6771997437	221.342	TWKKLRCTNLQBQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019315
CC(C)CCn1nc(CN)c2C(C)CCc12	MCULE-4459882105,EMOLS-id_331015417	221.342	OSPRMABHEMSTHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019316
CC(CCn1nc2c(c1N)C(CC2)(C)C)C	EMOLS-id_42572785,PC-id_79866636	221.342	MCSRWWHKWKHVRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019317
CCC(n1nc2c(c1N)C(CC2)(C)C)CC	EMOLS-id_42572781,PC-id_79866495	221.342	DHNULUIEDBLZJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019318
CC(CNc1n[nH]c2c1C(C)(C)CC2C)C	PC-id_106664110	221.342	IHLDLGIWLIZOFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019319
CC(CNCc1nc2c([nH]1)CCC2(C)C)C	PC-id_79862445,EMOLS-id_42571515	221.342	VNOOUGYNSMOWPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019320
CC(n1nc2CCC(C)c2c1N)C(C)(C)C	MCULE-2275984099,EMOLS-id_331017892	221.342	CWMGPLUIBHUHAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019321
CC(n1nc(N)c2C(C)CCc12)C(C)(C)C	EMOLS-id_330968050,MCULE-3304800240	221.342	NIEXSUJNIPOWOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019322
CC(NCc1nc2c([nH]1)CCC2(C)C)(C)C	EMOLS-id_42571513,PC-id_79862444	221.342	HDBSEIRIDQCAOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019323
n1c(CCNC)n2c(CCC2)c1C(C)(C)C	MCULE-6291325603,PC-id_84130674	221.342	LDOWCUWCBDQXBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019324
n1(nc(c2C(CCc12)CCN)C(C)(C)C)C	PC-id_83861568	221.342	UKPAJDUZXUIELD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019325
n1(nc(c2C(CCc12)CNC)C(C)(C)C)C	PC-id_83861570	221.342	JTANYIJVAZMJHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019326
NC(c1nc2c([nH]1)CCC2C)CC(C)(C)C	PC-id_102970235	221.342	FFWGCIOAVQOXIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019327
NCC(c1nc2c([nH]1)CCC2CC)C(C)C	PC-id_107444420	221.342	NJYOOOUVIAXQFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019328
[nH]1c(C(C)(C)C)c(c2c1CN(C2)C)CCN	PC-id_84788232	221.342	KEFBQSNDMBZLLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019329
[Si](c1n2c(cc1)C=[N+](C2=O)CC)(C)(C)C	PC-id_20783497	221.351	JIPZYPSXCNBCLE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019330
C1CC(C1)CNCc1sc2c(c1)CCC2	PC-id_65458729,EMOLS-id_41271246	221.362	SRTNPAPPLYZGPF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019331
C1CCC(C1)NCc1sc2c(c1)CCC2	EMOLS-id_37993744,PC-id_60983886	221.362	FMDDLHJXAFKIAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019332
CC1CC1NC(c1sc2c(c1)CCC2)C	PC-id_115716802	221.362	OHKZWDJCEQIUFL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019333
CC1CC(C1)NCc1sc2c(c1)CCC2	PC-id_104859770	221.362	NUGFODKSIDMSLF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019334
CC1(C)CCc2c1c(CNC1CC1)cs2	PC-id_114749013	221.362	ALUHRIFYMJHYBT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019335
Cc1c(CCC2(N)CC2)sc2c1CCC2	PC-id_105478508	221.362	RSABOYOEXYMXTB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019336
C(C1CCCNC1)c1cc2CCCc2s1	MCULE-6234813747,EMOLS-id_313835959	221.362	OHFZDEKYAYRZTA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-019337
C(C1CCNCC1)c1cc2CCCc2s1	MCULE-9621965774,EMOLS-id_313849279	221.362	GKACJMUJYJWWCN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-019338
C(CC1CC1)NCc1sc2c(c1)CCC2	EMOLS-id_41341661,PC-id_65600022	221.362	ZNXAJQBCPKCGDX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019339
CCC1CCc2c1c(CNC1CC1)cs2	PC-id_114749029	221.362	BSEZQXDNDOKFHJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019340
CC(c1sc2c(c1)CCC2)NCC1CC1	PC-id_115708889	221.362	LACRRBFRUBXUTL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019341
CC(C)(c1cc2CCCc2s1)C1(N)CC1	EMOLS-id_313872712,MCULE-2456173581	221.362	XJGBJJGGSBBHHZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019342
C=CCCC(c1sc2c(c1)CCC2)NC	PC-id_104987218	221.362	UVHKEQUEECRZBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019343
C=CCCCC(c1sc2c(c1)CCC2)N	PC-id_104986715	221.362	HWZNSDORKWPMSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019344
CCC(=C)CC(c1sc2c(c1)CCC2)N	PC-id_105005769	221.362	QXONTZLDNSSLAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019345
CC(=C)CCC(c1sc2c(c1)CCC2)N	PC-id_105039281	221.362	ZZKUIVQNCBFADZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019346
CCC(=C)CNCc1sc2c(c1)CCC2	EMOLS-id_41659842,PC-id_66044503	221.362	SNWDPOHDBHADAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019347
CC(=C)CCNCc1sc2c(c1)CCC2	PC-id_114472122	221.362	QCSZDBRFJKTJQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019348
C=CCCCNCc1sc2c(c1)CCC2	PC-id_64316725,EMOLS-id_40415451	221.362	UNNITJBAMCBOGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019349
CC(=CCNCc1sc2c(c1)CCC2)C	PC-id_106547118	221.362	WUCSKQUXEZEXLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019350
CCCNC(c1sc2c(c1)CCC2)C=C	PC-id_105000740	221.362	HCHXTWPYXDWMJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019351
C=CC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115727916	221.362	YALRUGMETRIWFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019352
CCNC(c1sc2c(c1)CCC2)C1CC1	PC-id_104994333	221.362	YATPTBNITGUPAK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019353
CCNC(c1sc2c(c1)CCC2)C(=C)C	PC-id_105005608	221.362	VBNJQKKKBHDQPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019354
CCNC(c1sc2c(c1)CCC2)CC=C	PC-id_115815173	221.362	FWONHJCOVBHWDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019355
CNC(c1sc2c(c1)CCC2)C1CCC1	PC-id_105049312	221.362	PGGXCJBYCHFJKV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019356
CNC(c1sc2c(c1)CCC2)CC1CC1	PC-id_104986281	221.362	UIBKBCICFAVJJI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019357
CNC(c1sc2c(c1)CCC2)CC(=C)C	PC-id_105003770	221.362	FJOIMMFYHUVHRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019358
CNC(c1sc2c(c1)CCC2)C=C(C)C	PC-id_105004401	221.362	ZPQRVXTZLDRVST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019359
NC(c1sc2c(c1)CCC2)C1CCCC1	PC-id_115778475	221.362	MFBMMKUNUXGXHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019360
NC(c1sc2c(c1)CCC2)CC1CCC1	PC-id_115863438	221.362	IVTNHEUBEYVHPQ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019361
NC(c1sc2c(c1)CCC2)CCC1CC1	PC-id_104994799	221.362	ADMKJZLWKZTZGY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019362
s1c2c(C(NC3CC3)CC2)cc1C(C)C	PC-id_83910675	221.362	HSFWSEYRFJMEEP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019363
s1c2C(NC3CC3)CCc2cc1C(C)C	PC-id_83910673	221.362	GFJRPTCLJQPFDK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019364
s1c(CNC(C)C2CC2)cc2CCCc12	MCULE-8422030105,PC-id_61208348	221.362	XDNNJBJNOLFULA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019365
[Si](c1c2c(n(c1)C(C)C)CCC2)(C)(C)C	PC-id_10911113	221.414	MXVVXBOHAGKHNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019366
Brc1nc2n(CCC2)c1Cl	PC-id_84687192	221.482	OCEJJJKSRLXYHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019367
c12CCCn1c(Br)c(Cl)n2	PC-id_84687191,MCULE-3616037014	221.482	VZNOWZRQXMMGQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019368
Clc1nc(Br)c2CCCn12	EMOLS-id_336487886	221.482	ZEZNKUYTIDFEFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019369
Clc1c2C(F)(F)CCc2[nH]c1C(=O)O	PC-id_57659936,SCHEMBL8167681	221.589	OOFJILHSHYIQNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019370
ClS(=O)(=O)c1oc2c(CNC2=O)c1	PC-id_83670616	221.618	WTNWAEIQZHKIKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019371
Clc1nc2S(=O)CCn2c1[N+](=O)[O-]	PC-id_86169464	221.622	PHPZHUMDEPECBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019372
c12c(CCl)cnn1CCN2CC(F)F	MCULE-2841078252,EMOLS-id_317866992	221.635	OHYKHTIEFGFMNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019373
c12cc(nn1CCN2CC(F)F)CCl	MCULE-3329970263,EMOLS-id_317877236	221.635	SHOHPTIMUJVMER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019374
ClS(=O)(=O)Cc1noc2CCCc12	EMOLS-id_259607963,MCULE-9237487572	221.661	JIVSXICWCRVZPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019375
c1(cnn2CCN(C)c12)S(=O)(=O)Cl	MCULE-3478870595,EMOLS-id_317870064	221.665	AJSMBBDXCOQLMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019376
ClCS(=O)(=O)N1Cc2c(C1)c[nH]n2	MCULE-5324807689,EMOLS-id_96791058	221.665	GJXUBRYJYUBIGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019377
COC(=O)C1=CC2=C(N1C(=O)[O-])CCC2=O	PC-id_154283882	222.041	XUVQJYDYNZYFNM-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-019378
Brc1c(N)sc2c1OCO2	PC-id_98772125	222.06	WLOYMVNAMHDVBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019379
Nc1sc(c2c1OCO2)Br	PC-id_98772126	222.06	BDOGJUAVSWIQFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019380
COC(=O)C1C(=CC2=CN=CN12)C(=O)OC	PC-id_165345362	222.064	CYPGOZBCKPGBTJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019381
Brc1nc2c(s1)C(CC2)F	PC-id_105478768	222.078	URIZRBDLPXKOBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019382
C[C@@H]1[C@@H](C(C2=NNC(=C12)C(F)F)(F)F)C	PC-id_153581200	222.078	HMKFOGZJTUJUQY-DMTCNVIQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019383
C1CC(=NO)c2c(sc(c12)Cl)Cl	PC-id_88527272	222.092	ZLIPJQCYABZGIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019384
Clc1c2c(sc1Cl)C(N)CC2=O	PC-id_391054	222.092	JYVIFCPTXRVVQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019385
Clc1sc(Cl)c2c1C(N)CC2=O	PC-id_378800	222.092	BAGAALISAFYOGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019386
NC1c2ccsc2C(=O)C1(Cl)Cl	PC-id_101644706	222.092	ANTJTIXWPLXROK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019387
N[C@@H]1CC(=O)c2c1sc(c2Cl)Cl	CoCoCo_5756443	222.092	JYVIFCPTXRVVQK-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019388
N[C@H]1CC(=O)c2c1sc(c2Cl)Cl	CoCoCo_5756444	222.092	JYVIFCPTXRVVQK-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019389
N[C@@H]1CC(=O)c2c(Cl)sc(Cl)c12	PC-id_92202064,ZINC22_3593483,CoCoCo_5726725	222.092	BAGAALISAFYOGI-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019390
N[C@H]1CC(=O)c2c(Cl)sc(Cl)c12	ZINC22_1638247,PC-id_92153655,CoCoCo_5726726	222.092	BAGAALISAFYOGI-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019391
O/N=C/1CCc2c1c(Cl)sc2Cl	SCHEMBL9865567	222.092	ZLIPJQCYABZGIR-ONNFQVAWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019392
CC(C)(C)OC(=O)N1C=CC2=C1C(=O)NC2	PC-id_164682651	222.1	XTIMDMUXRQUYFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019393
CCc1c2CNC(=O)c2nn1C(=O)N(C)C	PC-id_163860980	222.112	PCMPUOXWNPVKTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019394
CCOC(=O)C(C1=C2CC(=N)CN2C=N1)N	PC-id_153380888	222.112	RXOHHBLKKPRQTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019395
Brc1sc2c(CSC2)n1	PC-id_70981399,MCULE-2261380664,SCHEMBL13734333	222.126	SFUQJAJRXADBTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019396
c12CN(Cc1sc(Cl)c2CCl)C	EMOLS-id_331066153,MCULE-4957626817	222.135	SGOPEPPHTGITPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019397
CC(C)(C)OC(=O)CC1CCC2=C1C=NN2	PC-id_164080724	222.137	WFCCLEZBDKFCIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019398
n1(CC(F)(F)F)c(CO)c2c(COC2)n1	MCULE-1357230368,EMOLS-id_324401752	222.164	QXNKCBTUHRZAGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019399
CC1CC(c2c1c(nn2C)C(F)F)(F)F	PC-id_139429550,SCHEMBL21290129	222.183	NAYCRVIPBHLRGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019400
CCn1nc(c2c1CC(C2)(F)F)C(F)F	SCHEMBL18854051	222.183	WKWHAEADONOOHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019401
O=Cc1n2CCSc2nc1C(F)(F)F	PC-id_96606781	222.188	OMNFZLRMXIANGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019402
CSC1N=Nc2n1nc(c2)C(F)(F)F	PC-id_67340512,SCHEMBL2265849	222.191	WXEUPPLPIFFGNM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019403
O=C1n2c(c(cc2C)C)C(=O)N1CC(=O)O	PC-id_14955388	222.197	AZTLCACWYTVEMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019404
O=C1n2c(C(=O)N1CCC(=O)O)ccc2C	PC-id_83680803	222.197	AISIKDXQRZBVMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019405
O(C(=O)CN1C(=O)n2c(C1=O)ccc2)CC	PC-id_14955334	222.197	YCIIHXXFTFREKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019406
O=C1OCC(N1)C(=O)N1CCn2c1ncc2	EMOLS-id_258164368,MCULE-2330791853	222.201	ACRUUVIZKMHVKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019407
O(C(=O)C1=C/C(=C(/[O-])C)/[n+]2nn(nc12)C)C	PC-id_54682596	222.201	ZTBSEHXMUCPIHM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019408
FC(S(=O)(=O)c1nn2c(c1)CCC2)F	PC-id_142577331	222.212	VUAUDAUOSXIYLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019409
OC(c1cc2CCCc2s1)C(F)(F)F	EMOLS-id_314040895,MCULE-2193341919	222.227	GRULEMGRYPMAJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019410
O[C@H](c1cc2CCCc2s1)C(F)(F)F	MCULE-7174140263,EMOLS-id_313984320	222.227	GRULEMGRYPMAJC-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019411
O[C@@H](c1cc2CCCc2s1)C(F)(F)F	MCULE-7724944125,EMOLS-id_313985344	222.227	GRULEMGRYPMAJC-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019412
NCC1CCc2c1nc(s2)C(F)(F)F	EMOLS-id_266465414	222.231	PLKSSDBZYGLLIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019413
CCC[C@@H]1[C@@H](C(=O)OC)C(=O)c2c1occ2	PC-id_101426551	222.237	YBIKZAOWVKYRGG-VXNVDRBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019414
COC(=O)[C@@H]1[C@@H](C(C)C)c2c(C1=O)cco2	PC-id_101426548	222.237	QSRYCDQWIVRDCQ-RKDXNWHRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019415
o1c2c(CCC2)c(c1COC)/C=C/C(=O)O	PC-id_83610110	222.237	BYSHZKUZGSAKNN-AATRIKPKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019416
o1c(C(C)(C)C)c2CCC(=O)c2c1C(=O)O	PC-id_82617056	222.237	FNLVCBBPLOBGGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019417
c12c(C)[nH]c(C)c1C(=O)N(CCOC)C2=O	EMOLS-id_50076073,MCULE-9490028652,PC-id_66490130	222.24	INNVEMTZNPBELK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019418
Cc1nn(c2c1CC(C2)C(=O)OC)C(=O)C	PC-id_134168015,SCHEMBL19768748	222.24	QAEBKRYHMDTJQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019419
CCC(=O)c1c(CC(=O)O)cn2c1NCC2	PC-id_96606671	222.24	WMMNCQGFHXPLFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019420
CCOC(=O)c1c(C)c(C)n2c1NC(=O)C2	CHEMBL1528482,PC-id_361741,ZINC22_1617991,CoCoCo_5682452,NSC624983	222.24	XVXITRAKQOVWKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019421
CCOC(=O)Cn1c2c(c(n1)C)C(=O)CC2	PC-id_90162712,SCHEMBL15724334	222.24	ITANBYULKHBVEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019422
COC(=O)Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330985662,MCULE-8570581923	222.24	ZACNKFQNBYVFGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019423
COC(=O)Cn1nc(C=O)c2C(C)CCc12	EMOLS-id_331004669,MCULE-6435194963	222.24	WFXGPUANENEPHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019424
O=C(c1nc(n2c1CCC2)C)CC(=O)OC	PC-id_82662095	222.24	ZGIVGPVVPUAHOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019425
O=C(N1Cc2c(C1=O)c[nH]c2)OC(C)(C)C	PC-id_117935998,SCHEMBL16547971	222.24	WPLNJMLDKHALTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019426
OC(=O)N1C(=O)c2c(C1C(C)(C)C)c[nH]c2	PC-id_121452048,SCHEMBL17888800	222.24	CXBYNRCLYVEWJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019427
c1(C(=O)N2CCOCC2)[nH]nc2CNCc12	PC-id_97619435,ZINC22_96516097,EMOLS-id_50370234,MCULE-1311468260,EMOLS-id_49188869	222.244	IHNFKPMVIALFGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019428
Cc1nc2n(c1C(=O)NCCC)CC(=O)N2	PC-id_142157260	222.244	VCHLRNPKVNTRFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019429
CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C=O	PC-id_89247292,SCHEMBL14103862	222.244	RAIXZSIJGHOMEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019430
O=C=CC(ON1Cc2c(C1)c([nH]n2)N)(C)C	PC-id_141047832	222.244	HDBPJCHFFBZCOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019431
ON1Cc2c(C1)nc(n2C)C(=O)NC1CC1	PC-id_118613900,SCHEMBL17380159	222.244	HASPEPKJZYXMFN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019432
O=CN1Cc2c(C1)nc(n2C)C(=N)N(N)C	PC-id_144979193	222.247	LINSANBRMHEODT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019433
FC[C@@H]1C[C@H]1NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319202665	222.259	PSUDPNZJWRBFEX-WCBMZHEXSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019434
CCC/C(=c/1scc2c1=NC=N2)/C(=O)O	SCHEMBL5852697	222.264	CJUXEYMWLFFDAR-RMKNXTFCSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019435
CCCC(=c1scc2c1=NC=N2)C(=O)O	SCHEMBL5852709	222.264	CJUXEYMWLFFDAR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019436
OCC(=O)Nc1c(C#N)c2CCCc2s1	PC-id_16768953,EMOLS-id_11483822,MCULE-5807664607,SCHEMBL6247335	222.264	MSOUXFDCKSONGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019437
OC(=O)CCCC=c1scc2c1=NC=N2	SCHEMBL5852701	222.264	ULNPRJKWUDRAGC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019438
s1c2CCCc2c(c1NC(=O)OC)C#N	PC-id_14015000	222.264	MPAQBLSBEVLNAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019439
s1c2c(C(CC2)(C)C(=O)O)c(c1N)C#N	PC-id_83669361	222.264	KPYVAWXDXJPKTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019440
S1CCn2c1nc(NC(=O)CC)c2C#N	PC-id_60323700	222.267	RVKWPCPAOUNRNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019441
o1c2c(CCC2)c(c1C(C)C)CCC(=O)O	PC-id_83610338	222.28	IXLPHWGOOJXWKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019442
o1c2c(CCC2)c(c1CCC)CCC(=O)O	PC-id_83610410	222.28	KZJKJHAZAAVLEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019443
o1c2c(CCC2)cc1CCCCC(=O)OC	PC-id_86133138	222.28	SHAQDNOCPMAQLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019444
o1c2c(C(CC2)C(C)C(=O)O)cc1C(C)C	PC-id_83910759	222.28	GFUIWJDRIAXANN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019445
o1c2c(c(C(C(C)C)C(=O)O)c1C)CCC2	PC-id_84788652	222.28	XTBDZOJBVYVKGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019446
o1c(C(C)(C)C)c(c2c1CCC2)CC(=O)O	PC-id_83610506	222.28	SXAMXNNOIZWUFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019447
c1(COC2COCC2)c2CCCc2nn1C	MCULE-4839022735,EMOLS-id_324136457,PC-id_154575291	222.284	ZAFQAAYYRGULSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019448
c1(C(=O)O)c2CCCc2nn1CCC(C)C	MCULE-8043443243,PC-id_82286947	222.284	QCCDQSVRWPHXJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019449
c1(C(=O)O)c2C(C)CCc2n(C(C)CC)n1	EMOLS-id_330989051,MCULE-9810553558	222.284	BVQMIBJCLKLACQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019450
c1(C(=O)O)c2C(C)CCc2n(CC(C)C)n1	MCULE-2376829577,EMOLS-id_330987257	222.284	SEKXSEPORFGSRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019451
c1(C(=O)O)c2C(C)CCc2n(C(C)(C)C)n1	MCULE-4315816941,EMOLS-id_330986491	222.284	QKXZPTPOFRTDMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019452
c1(C(=O)O)c2C(C)CCc2nn1C(C)(C)C	EMOLS-id_330970812,MCULE-3425056481	222.284	PBNVSDJENNHGRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019453
c1(C(=O)O)c2C(C)CCc2nn1CC(C)C	EMOLS-id_330971578,MCULE-6221093056	222.284	MDYJJVXXIJBRCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019454
c1(C(=O)O)c2C(C)CCc2nn1C(C)CC	MCULE-8559652006,EMOLS-id_330969267	222.284	FTVMYEMWJMLAAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019455
c1(C(=O)OC)c2CCCc2n(C(C)(C)C)n1	EMOLS-id_324387922,MCULE-3309774700	222.284	LQRBODKUSONPRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019456
c1(C(=O)OC)c2C(C)CCc2n(CCC)n1	EMOLS-id_330995184,MCULE-7497174427	222.284	ZGGACGYCYCXGIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019457
c1(C(=O)OC)c2C(C)CCc2n(C(C)C)n1	MCULE-3321953845,EMOLS-id_330993663	222.284	XTEHXWIHQZJMTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019458
c1(C(=O)OC)c2C(C)CCc2nn1CCC	EMOLS-id_330978225,MCULE-1558102463	222.284	LGBOCFFKTJOADQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019459
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C	MCULE-2490418970,EMOLS-id_330980784	222.284	CZSJDDMLSPUHTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019460
c1(C(=O)OCC)c2C(C)CCc2n(CC)n1	MCULE-1319010830,EMOLS-id_330999030	222.284	RVMOCKDHTOIVMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019461
c1(C(=O)OCC)c2C(C)CCc2nn1CC	EMOLS-id_330985142,MCULE-1009154828	222.284	AMHFOVHPXVLQHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019462
CC1(Cc2c(C1)n(c(c2)C(=O)O)CCN)C	PC-id_86684181	222.284	KUYKLKLMAIMBDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019463
CCc1c(nc2n1CC(C2)C(=O)O)C(C)C	PC-id_112485476	222.284	IKVIHGKYTUYCFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019464
CC(C1(C(=O)Nc2c1ocn2)C(C)(C)C)C	SCHEMBL13054930,PC-id_57786426	222.284	DNKBWXLETPRTDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019465
CC(Cc1c(CC(=O)O)cn2c1NCC2)C	PC-id_98772076	222.284	QSWQGSBDUBULSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019466
CC(C)C(C(=O)O)c1c2CCCc2nn1C	MCULE-5486155282,EMOLS-id_259658924	222.284	PRKQVNFYPSSMHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019467
CC(C)(C)n1nc(CC(=O)O)c2CCCc12	EMOLS-id_337957657	222.284	PZRBYPCCNPADCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019468
CCCCOCCC1c2c(cc[nH]2)C(=O)N1	PC-id_89793685,SCHEMBL15243757	222.284	JTQRHGNSVLKQHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019469
CCCCOCC[C@H]1NC(=O)c2c1[nH]cc2	SCHEMBL15243756	222.284	JTQRHGNSVLKQHD-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019470
CCCCOCC[C@@H]1NC(=O)c2c1[nH]cc2	SCHEMBL15243805	222.284	JTQRHGNSVLKQHD-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-019471
CC(C)(C)OC(=O)n1cc2CCC(N)c2c1	EMOLS-id_207614775,MCULE-2186019287	222.284	LTQFBEGNKDSUGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019472
CC(C)(C)OC(=O)NC1CCc2c[nH]cc12	EMOLS-id_207614769,MCULE-4473146221	222.284	GDBWZDCWIKNONL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019473
CCC(O)Cn1nc2CCC(C)c2c1C=O	MCULE-4652600437,EMOLS-id_330987198	222.284	HXLWLRJNYZFOBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019474
CCC(O)Cn1nc(C=O)c2C(C)CCc12	MCULE-3411301769,EMOLS-id_331002110	222.284	HUNXLLHLYAWPLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019475
CCOC(=O)c1n(C)nc2c1CCC2(C)C	PC-id_68156945,SCHEMBL11900459	222.284	XAFOKZSUWVNSGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019476
CCOC(=O)c1nn(c2c1CCC2(C)C)C	SCHEMBL11901071,PC-id_68157382	222.284	BZQDSLUOPABVOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019477
Cn1nc2c(c1CO[C@@H]1CCOC1)CCC2	ZINC22_1849855639	222.284	ZAFQAAYYRGULSB-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019478
Cn1nc2c(c1CO[C@H]1CCOC1)CCC2	ZINC22_1849855640	222.284	ZAFQAAYYRGULSB-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-019479
COC(=O)c1c2CCCc2nn1C(C)(C)C	EMOLS-id_324387932,MCULE-6791919417	222.284	WTYIMXYFOAIGRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019480
COC(=O)Cn1nc(c2c1CCC2)C(C)C	SCHEMBL20866507,PC-id_138514770	222.284	QDBKEJPKZZZWBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019481
n12CC(Cc1nc(C(C)(C)C)c2C)C(=O)O	MCULE-4466659205,PC-id_112485475	222.284	RDKNAARNXYXDBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019482
n1(CC2CCCC2)c(CO)c2c(COC2)n1	MCULE-2219619821,EMOLS-id_324400472	222.284	CDMFLEDURJJOFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019483
o1c2c(CCC2)c(c1C(C)(C)C)C(=O)NN	PC-id_83610541	222.284	HUHMYEQZNDBCFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019484
o1c(nc2c1CCC2)C(O)C1CCCNC1	PC-id_84735383	222.284	CNXLPNGWDADWPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019485
o1c(nc2c1CCC2)C(O)C1CCNCC1	PC-id_84735382	222.284	VCQHFZALCYXWNG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019486
o1c(nc2c1CCC2)C(O)C1NCCCC1	PC-id_84735381	222.284	DNHDEAIVRCGBRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019487
o1nc2c(CCC2)c1NC(=O)CCCCC	PC-id_58664486	222.284	IXZVHDMZOBQWNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019488
OC(=O)c1c2c([nH]c1C(C)(C)C)CN(C2)C	PC-id_84788659	222.284	HDIOOKDPHWTLRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019489
OC(=O)C1c2c(n(nc2C(C)(C)C)C)CC1	PC-id_83861565	222.284	KUUSZZNLKJTCOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019490
OC(=O)C1CCc2[nH]c(nc12)C(CC)CC	PC-id_84010916	222.284	BNPPTHYGXYYEQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019491
O(C(=O)c1c([nH]c2c1CNC2)C(C)(C)C)C	PC-id_82392169	222.284	GWVKWDMFZNBZDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019492
O(C(=O)C1(N)CCc2c1cn(c2)C(C)C)C	PC-id_83910763	222.284	IRNMAQIARHXXFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019493
OC(=O)c1nn(c2CCCc12)CCC(C)C	PC-id_82286949	222.284	NENUZOMHGWPSMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019494
OC(=O)Cc1c2c([nH]c1C(C)C)CN(C2)C	PC-id_84788660	222.284	ORYWHDDEKONFTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019495
OC(=O)CC1c2c([nH]nc2C(C)(C)C)CC1	PC-id_83861622	222.284	OTZZLNPMIWEOFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019496
OC(=O)CC1c2c(n(nc2C(C)C)C)CC1	PC-id_83861603	222.284	DCMDBGZNDJPBFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019497
OC(=O)CC1c2c(nn(c2C(C)C)C)CC1	PC-id_83910765	222.284	JIOCSRZHUZUBGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019498
OC(=O)CC1CCc2n(nc(c12)C)C(C)C	PC-id_83861442	222.284	XKPWZRDBHNYSRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019499
OC(=O)Cc1c([nH]c2c1CNC2)C(C)(C)C	PC-id_84788658	222.284	YMJSGEBYGIPXIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019500
OC(=O)Cc1nn2c(c1C(C)(C)C)CCC2	PC-id_84131290	222.284	NBKQNKQCKBSRAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019501
OC(=O)Cc1nn2c(CCC2)c1CC(C)C	PC-id_84131289	222.284	QSSKZXKXGGRSAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019502
OC(=O)CC(c1c2c([nH]c1C)CCC2)CN	PC-id_84788671	222.284	RUCKIJOKWPNXOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019503
OC(=O)CCc1n2c(CCC2)c(n1)CCC	PC-id_84131252	222.284	RSIOCGYTQXWKMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019504
OC(=O)CCc1n2c(CCC2)c(n1)C(C)C	PC-id_84131253	222.284	HUASBMNFKZSWNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019505
OC(=O)CCC(N)c1c2c([nH]c1C)CCC2	PC-id_84788673	222.284	QUPSAQBWFABBNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019506
c12CNCc1n(nc2CN1CCOCC1)C	MCULE-6841327412,EMOLS-id_50251656,PC-id_90488129	222.287	UDLGYKDDYVXRNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019507
c1(C(=O)N)c2C(C)CCc2n(CCCN)n1	MCULE-8158241708,EMOLS-id_331038724	222.287	DMPJZSKQWRUFGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019508
c1(C(=O)N)c2C(C)CCc2nn1CCCN	MCULE-2946069216,EMOLS-id_330960322	222.287	PYOSNRHXHANACV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019509
c1(C(=O)N(C)C)c2CNCc2nn1C(C)C	EMOLS-id_324352616,MCULE-3550224776	222.287	AIWNLGSWZFGGLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019510
c1(C(=O)NCCN(C)C)c2CCCc2[nH]n1	MCULE-6754795946,PC-id_110388813,EMOLS-id_179744518	222.287	WJEDUCGORGBAIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019511
c1(C(=O)NCCN(C)C)cn2c(CCC2)n1	MCULE-1911994236,EMOLS-id_321296851	222.287	RTWUUFYUOIOWNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019512
CC(C1(C(=O)Nc2c1[nH]nn2)C(C)(C)C)C	SCHEMBL13054932,PC-id_136101826	222.287	GNAKLRMSEZHIEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019513
CC(C(C)C)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319104019	222.287	MFSMFYDLWBQAPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019514
CC(C)CC(=O)NCc1nnc2n1CCC2	MCULE-5538966783,PC-id_51074955,EMOLS-id_33301331,ZINC22_54536471	222.287	QAWGCBPAFLUMHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019515
CC(CCNC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318904513	222.287	BZGNPNRRMRYTHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019516
CCCCNC(=O)N1Cc2c(C1)cn(n2)C	PC-id_141280101	222.287	UCLPBDJFFZKDBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019517
CCC(C(=O)NCc1nnc2n1CCC2)C	MCULE-7847717619,PC-id_53509126,EMOLS-id_35694640	222.287	YNVUMEUQUUJQED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019518
CCCC(=O)NC(c1nnc2n1CCC2)C	PC-id_60763780,MCULE-5562126696,EMOLS-id_48213765	222.287	BSFMIEVWOGVOIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019519
CCCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_95358745,ZINC22_70254968	222.287	BSFMIEVWOGVOIO-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019520
CCCC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_95358746,ZINC22_70254969	222.287	BSFMIEVWOGVOIO-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019521
CC[C@@H](C)C(=O)NCc1nnc2n1CCC2	PC-id_93977381,ZINC22_44018708	222.287	YNVUMEUQUUJQED-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019522
CC[C@H](C)C(=O)NCc1nnc2n1CCC2	ZINC22_44018709,PC-id_93977382	222.287	YNVUMEUQUUJQED-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019523
CC[C@@H](C(=O)N1Cc2c(C1)cn[nH]2)N(C)C	EMOLS-id_278816268	222.287	WDUOXUCNQLCMAE-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-019524
CCCN1Cc2c(C1)[nH]nc2C(=O)N(C)C	PC-id_97389036	222.287	KTBHPUGRWBHIBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019525
CCCN(C(=O)C1NCc2c1c[nH]n2)CC	EMOLS-id_320336951,MCULE-1549442580	222.287	STQXDWJUXGGSQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019526
CC(CN(C(=O)N1Cc2c(C1)cn[nH]2)C)C	EMOLS-id_320269421,MCULE-4080533209	222.287	VTYVYXXSHGFMDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019527
CCn1nc2c(c1N)CN(C2(C)C)C(=O)C	SCHEMBL11913272,PC-id_68164449	222.287	DWWGBADAABWJEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019528
CCn1nc2c(c1NC(=O)C)CNC2(C)C	SCHEMBL11913267,PC-id_68164444	222.287	MYNJRQANKURTQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019529
CCN(C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320270623,MCULE-6661146841	222.287	ZDTQCKXLQCHVSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019530
CN1CCN(CC1)Cc1oc2c(n1)CNC2	PC-id_112719819	222.287	GQIYAZFHWGARDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019531
CNCCC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_303021551,PC-id_121749940,MCULE-8249954337	222.287	QMYJUAJLMMAOCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019532
CNCCN(C(=O)c1n[nH]c2c1CCC2)C	PC-id_120177373,EMOLS-id_302026180,MCULE-6496275373	222.287	KNOMTBWXGFUODE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019533
CNC(CNC(=O)c1n[nH]c2c1CCC2)C	PC-id_120826893,EMOLS-id_302519334,MCULE-8895190170	222.287	ILWNVLBTBQNIMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019534
CNCC(=O)N1Cc2c(C1)c(n[nH]2)C(C)C	PC-id_118489334,SCHEMBL17229815	222.287	UQLQMTMIGLIQTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019535
CN(CC(=O)NCc1n[nH]c2c1CCC2)C	MCULE-8751938192,EMOLS-id_320007324	222.287	BTSUUCQTOGTGBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019536
CNC(=O)c1c2CNCc2nn1C(C)(C)C	MCULE-7820355952,EMOLS-id_324353644	222.287	VUDTYXSGQBKFKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019537
N1CCC(CC1)OCc1nnc2n1CCC2	EMOLS-id_40093219,PC-id_63870751	222.287	YVHGCKJITYUAGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019538
NC1Cn2c(C1)c(nc2)CN1CCOCC1	PC-id_112485461	222.287	AGNXFNBBQAJMHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019539
NC1CNCCC1O[C@H]1Cn2c(C1)ncc2	SCHEMBL18859961	222.287	CVPSGJQZWHRTGX-XNWIYYODSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019540
NCCCCNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_302002937,MCULE-6114734858,PC-id_120292238	222.287	ZBWPDSSUDPPNOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019541
NCCCC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_301475074,MCULE-8141697388,PC-id_119345967	222.287	PSWPTONWVAWDOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019542
NCC(C(=O)Nc1n(C)nc2c1CCC2)C	PC-id_121749932,EMOLS-id_303020527,MCULE-1148250103	222.287	CBJIJYYCFZHKGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019543
NC(=O)Cn1nc2c(c1)CN(C2)C(C)(C)C	PC-id_70937955,SCHEMBL13562716	222.287	IJZWPHUHLWRXFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019544
O1CCN(CC1)CCn1nc2c(c1)CNC2	PC-id_96606344	222.287	QXUHDFXSTNOUJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019545
O1CC(NC(c2n3CCCc3nn2)C)CC1	PC-id_63335690	222.287	SYXILSAUIRSQRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019546
O1CCN(CCc2n[nH]c3c2CNC3)CC1	PC-id_83849863	222.287	DSOYRMDNCKPBES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019547
O=c1n(CC2CCCCN2)[nH]c2c1CNC2	PC-id_105479454	222.287	XXUFCVYALSNEJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019548
O=c1n(CC2CCCNC2)[nH]c2c1CNC2	PC-id_105479453	222.287	HSRKQLJGDMCEJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019549
O=c1n(CC2CCNCC2)[nH]c2c1CNC2	PC-id_105479452	222.287	DPYLIGNBYPHHNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019550
OCC1(CC1)CNC1CC(n2c1ncn2)C	EMOLS-id_316578276	222.287	IBKFLMPZXUOZDI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019551
O=C(c1n[nH]c2c1CCC2)NCC(N)(C)C	EMOLS-id_301783746,PC-id_119625987,MCULE-3837580840	222.287	QHEYNXPGVOIIMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019552
O=C(C(C)C)NC(c1nnc2n1CCC2)C	PC-id_60763812,EMOLS-id_315273189	222.287	GKRUHDWILAXAPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019553
O=C(N(Cc1n2CCCc2nn1)C)C(C)C	PC-id_60707823	222.287	QNNPOZPOYSKKHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019554
O=C(N(Cc1n2CCCc2nn1)C)CCC	PC-id_60707840	222.287	VLMZFPCJTYPLKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019555
CN(C(=N)c1nc2c(n1C(C)C)CNC2)N	PC-id_144979236	222.29	UCAUTFKEESKASB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019556
S1C(C(N)c2c1sc(c2N)C#N)C#N	PC-id_11356495	222.29	XKARWYCJOFNKNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019557
O=C(C1C=Cc2c1scc2)OC(C)(C)C	PC-id_66898987,SCHEMBL1079376	222.303	GTUBDNWYSWUIDU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019558
OC(c1sc2c(c1)CCC2)C1=CCCO1	PC-id_102653913	222.303	XGGPXHLCYORFEC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019559
O=C(c1sc2c(c1)CCC2)C1CCOC1	PC-id_114972059	222.303	VRFYANFTNFAJBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019560
OC(=O)C1(Cc2cc3CCCc3s2)CC1	MCULE-8573397526,EMOLS-id_313838005	222.303	ROWZWLYYTWAGCV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019561
s1c2C(=O)C(Cc2cc1)(CCC(=O)C)C	PC-id_10537013	222.303	FSBWBSGUIBYNDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019562
c12C(C)(C)OC(C)(C)c1sc(N)c2C#N	CoCoCo_6158876,EMOLS-id_1684371,MCULE-2308205140,ZINC22_269432,SPECS-id_AN-153/I170295,PC-id_610214,SPECS-id_AG-205/41147320	222.307	MOKRFKOKZIASDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019563
c1(c2CCCc2sc1N)C(=O)NC1CC1	ZINC22_2558489,CoCoCo_6802209,TIMTEC323195,PC-id_4469616,EMOLS-id_3785148,MCULE-2296109694	222.307	MYEHOGZQWBRXJZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019564
CC1CC1C(=O)Nc1sc2c(n1)CCC2	MCULE-4082685660,PC-id_47119111,EMOLS-id_33299526	222.307	ZTPUEFLZJJXUPA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019565
CCC(=C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319762306	222.307	GHQOCXWWSCELNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019566
CC(C)C(=O)N1CCc2c1[nH]c[n+]2C(C)C	PC-id_89458167,SCHEMBL14803346	222.307	DRPQLGLNBZJMPB-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-019567
CC(=CC(=O)Nc1nc2CCCc2s1)C	MCULE-8043198364,EMOLS-id_181476401,PC-id_47145886	222.307	AEQFHQDQXQCYOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019568
C=CC(=O)NCCc1nc2c(s1)CCC2	PC-id_139018802,ZINC22_1335866824,MCULE-1914209188	222.307	LMFYKKYYSQAMHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019569
C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCC2	PC-id_33039719,ZINC22_25768054	222.307	ZTPUEFLZJJXUPA-RQJHMYQMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019570
C[C@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCC2	PC-id_33039723,ZINC22_25768057	222.307	ZTPUEFLZJJXUPA-BQBZGAKWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019571
C[C@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCC2	PC-id_33039728,ZINC22_25768062	222.307	ZTPUEFLZJJXUPA-NKWVEPMBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019572
C[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCC2	ZINC22_25768059,PC-id_33039725	222.307	ZTPUEFLZJJXUPA-RNFRBKRXSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019573
NC1CN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_65244988,EMOLS-id_41118955	222.307	TXSAWGRSDBRUAE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019574
N#CCc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_313539315,PC-id_79917052	222.307	NNWKKSQPJCKILJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019575
O=C(C1CCC1)Nc1sc2c(CCC2)n1	EMOLS-id_31854631,MCULE-4091231979,PC-id_17395180,ZINC22_9449103	222.307	KUUYSKLELFHKEL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019576
O=C(c1sc2c(c1)CCC2)NC1CNC1	PC-id_66186295,EMOLS-id_41761841	222.307	PDSKNEGXNPRRNA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019577
s1c2c(CCC2)cc1C(=O)NC1C(N)C1	PC-id_43593838	222.307	INJSNMVLJZQUKF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019578
s1c2CCCc2nc1C(=O)C1CCNC1	PC-id_84735389	222.307	SAZYNJYACYQFEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019579
s1c2CCCc2nc1C(=O)C1NCCC1	PC-id_84735388	222.307	BRKQAMTXAZRMKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019580
CC(/C(=C/1C(=N)Sc2c1n[nH]c2C)/C)N	PC-id_145425223	222.31	QIEYKAIYPNCVNK-BSHXFBGSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019581
c12CCC(C)c1c(nn2C(CC)CC)CO	MCULE-8820452882,EMOLS-id_331012852	222.327	XQEDSROOOVMCME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019582
c12C(C)CCc1n(nc2O)CC(CC)CC	EMOLS-id_330957308,MCULE-8275981958	222.327	WWVQUCIRMQFJID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019583
c12C(C)CCc1n(nc2O)CCC(C)(C)C	EMOLS-id_330960379,MCULE-5451979184	222.327	AWJDJKQOEJXQGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019584
c12C(C)CCc1nn(CCC(C)(C)C)c2O	EMOLS-id_331007918,MCULE-1535162782	222.327	LSAJLAOHSAIYRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019585
c1(CO)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_330996660,MCULE-4706414260	222.327	MANOVQJPBSPRDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019586
CC1CCc2c1c(CO)nn2CC(C)(C)C	MCULE-9686347110,EMOLS-id_331012340	222.327	RYVCNJAXENAVDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019587
CC1CCc2nn(CC(C)(C)C)c(CO)c12	MCULE-3056360424,EMOLS-id_330996404	222.327	IBCFQUYWEFJFET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019588
CCC1CCc2c1onc2CNC(C)(C)C	PC-id_116177552	222.327	PZFDVSONXFHIFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019589
CCC1CCc2c1onc2CNCC(C)C	PC-id_116177554	222.327	SXCNLHQSCRZERB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019590
CCCc1nn(c2CC(O)Cc12)C(C)(C)C	EMOLS-id_337958427	222.327	YTGPRXRWNVCYCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019591
CCC(C)C1c2c(C(N1C(C)C)C)nco2	PC-id_91529100	222.327	HQOSRHVCBWSWHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019592
CCCCCCCC1Cc2c(N1)c(no2)C	PC-id_145580781	222.327	ANAWMLWNRAHKCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019593
CCC(CC)Cn1nc2CCC(C)c2c1O	MCULE-7487902391,EMOLS-id_331008942	222.327	GXOVURPMRZNACG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019594
CC(C)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330993338,MCULE-5373105999	222.327	GHSLUYOPNVHOOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019595
CC(C)CCn1nc2CCC(C)c2c1CO	MCULE-1243408034,EMOLS-id_330994355	222.327	ZSUJLPCZRFIWQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019596
CC(C)C(C)n1nc(CO)c2C(C)CCc12	MCULE-6866920079,EMOLS-id_331012596	222.327	TZJZPRBTVVGMKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019597
CC(C)CCn1nc(CO)c2C(C)CCc12	MCULE-9848119875,EMOLS-id_331010291	222.327	DZFLVRPWTMDXPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019598
CC(CNCc1noc2c1CCC2(C)C)C	EMOLS-id_314409321,PC-id_80462727	222.327	NKYHHUULBOIZET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019599
CCCNCc1noc2c1C(C)(C)CC2C	PC-id_106664544	222.327	IRDNFKJDBWVKIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019600
CC(n1nc2CCC(C)c2c1O)C(C)(C)C	EMOLS-id_331006127,MCULE-2174362785	222.327	ZDLDWAXFEVNYCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019601
CC(n1nc(O)c2C(C)CCc12)C(C)(C)C	EMOLS-id_330958844,MCULE-6103969217	222.327	JKYGYKPDMZKRNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019602
CC(NCc1noc2c1CCC2(C)C)(C)C	PC-id_80462089,EMOLS-id_315461138	222.327	BZBMADFTIPNKPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019603
CC(NCc1noc2c1C(C)(C)CC2C)C	PC-id_106664545	222.327	STWCUIGCLUMPGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019604
o1c(C(C)(C)C)c(c2c1CN(C2)C)CCN	PC-id_84788743	222.327	KTFDWOWQDSDRLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019605
O=c1[nH]n2c(c1C(C)(C)C)C(C[C@H]2C)(C)C	PC-id_71132900,SCHEMBL14309700	222.327	QKIJWONNYJJQNM-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019606
O=c1[nH]n2c(C(CC2C)(C)C)c1C(C)(C)C	PC-id_78030250	222.327	QKIJWONNYJJQNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019607
c12C(C)CCc1n(nc2N)CCCN(C)C	EMOLS-id_330965234,MCULE-8066140060	222.33	WRFDQDABUGMWAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019608
c12C(C)CCc1nn(CCCN(C)C)c2N	MCULE-2091291700,EMOLS-id_331015332	222.33	NTLNOZSSDYDBCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019609
c1(C(C)NCC(C)CC)nnc2CCCn12	PC-id_43748043,MCULE-3798170798	222.33	PKTFWSLLMDILPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019610
c1(C(C)NCC(C)(C)C)nnc2CCCn12	PC-id_61325566,MCULE-9529377263,EMOLS-id_38223598	222.33	QRERVROVPDYGTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019611
CC1CCc2c1c(CN)nn2CCN(C)C	MCULE-4824452065,EMOLS-id_331015162	222.33	IZMOPCXQTBAORS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019612
CC1CCc2nn(CCN(C)C)c(CN)c12	EMOLS-id_330998202,MCULE-9196261442	222.33	ANFSRCYHGKXWIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019613
CC(C)(C)c1c2CN(Cn2nn1)C(C)(C)C	SCHEMBL15979372,PC-id_90363141	222.33	LMJSLWKBYACWSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019614
CC(C)(C)c1nn2CN(Cc2n1)C(C)(C)C	SCHEMBL15979368,PC-id_90363137	222.33	FSBFDYPNILXTNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019615
CCCCCNC(c1nnc2n1CCC2)C	EMOLS-id_37811120,PC-id_43748028	222.33	VKCDHRLBTZSQCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019616
CC(C)Cn1nc2CNCc2c1CN(C)C	EMOLS-id_324353636,MCULE-9281438557	222.33	OVOJFVCRPHYVSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019617
CC(CCNC(c1nnc2n1CCC2)C)C	PC-id_43748089,EMOLS-id_37811142	222.33	ANCIGAKKLIPXSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019618
CCC(NC(c1nnc2n1CCC2)C)CC	EMOLS-id_37811156,PC-id_43748148	222.33	QZERGNMGESYIRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019619
CCCNCCNCc1n[nH]c2c1CCC2	EMOLS-id_314781640,PC-id_104377671	222.33	SXLLQAJYTYHXAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019620
CC(N1Cc2c(C1)c(n(n2)C(C)(C)C)N)C	PC-id_105479750	222.33	UZRPHQYZQKXKEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019621
CC(N1Cc2c(C1)n(nc2N)C(C)(C)C)C	PC-id_105479752	222.33	JGJWFFXQUUJXPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019622
CC(n1nc2c(c1N)CN(C2)C(C)(C)C)C	PC-id_105479751	222.33	KTMJUHGYFOKFLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019623
CC(Nc1nn(c2c1CN(C2(C)C)C)C)C	PC-id_70930886,SCHEMBL13542075	222.33	ZBBABRXYCGAUMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019624
CCN(CCc1ncn2c1C(N)CC2)CC	PC-id_112485408	222.33	RSXYERZXXDNNIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019625
CCN(CCCn1nc2c(c1)CNC2)CC	PC-id_96606191	222.33	IWYNNAOLVVCXHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019626
CCNCCCNCc1n[nH]c2c1CCC2	EMOLS-id_314378221,PC-id_104422354	222.33	DVYCEWYSSPXNPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019627
CCNCCN(Cc1n[nH]c2c1CCC2)C	EMOLS-id_315872142,PC-id_104413067	222.33	HVGJUDBQPOPRNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019628
CC(NCCNCc1n[nH]c2c1CCC2)C	PC-id_104378006,EMOLS-id_315849613	222.33	FNHSVNNUOJCRNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019629
CCNCC(NCc1n[nH]c2c1CCC2)C	PC-id_104395236,EMOLS-id_260736188	222.33	LHBGBPUBSJFQBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019630
CCN(CCNCc1n[nH]c2c1CCC2)C	PC-id_105985657	222.33	AQTZSCANUIFCRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019631
CN(Cc1nn(c2c1CN(C2)C)C(C)C)C	PC-id_97519232	222.33	AGRCRKSQVWYCBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019632
CN(CCCNCc1n[nH]c2c1CCC2)C	PC-id_104433163,EMOLS-id_315823506	222.33	SDPGZTAXMMLJAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019633
CN(CCn1nc2c(c1N)C(CC2)(C)C)C	PC-id_79867216,EMOLS-id_42572787	222.33	STRQGSVDKZKOAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019634
CN(CC(NCc1n[nH]c2c1CCC2)C)C	EMOLS-id_261238244,PC-id_104406625	222.33	NIIAVXQHNVPYJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019635
n12CC(Cc1c(nc2)CCN(CC)CC)N	MCULE-7704133070,PC-id_112485413	222.33	VTCKXSOHHAAXPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019636
n12CCCc1nnc2CCC(CCN)CC	PC-id_64348843,EMOLS-id_40453265	222.33	QNRYLBLELBGNHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019637
n12CCCc1nnc2C(NC(CCC)C)C	PC-id_43748128	222.33	DLNOQFVMRMUAPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019638
n12CCCc1nnc2C(NC(C(C)C)C)C	PC-id_43748135	222.33	FDPCHMWWDAQNAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019639
n12c(nnc1CCC2)CC(CC(C)C)CN	EMOLS-id_41296085,PC-id_65526636	222.33	XKDLYCCNVRMXLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019640
n12c(nnc1CCC2)CCC(CCN)(C)C	EMOLS-id_41155267,PC-id_65285572	222.33	JGOUFANFDVSHQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019641
n12c(nnc1CCC2)C(CCCC(N)C)C	PC-id_65286291	222.33	XCYFSOIZWWVACE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019642
Nc1nn(c2c1CN(C2)C(C)(C)C)C(C)C	PC-id_105479753	222.33	FUCDXZWNIAYFCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019643
NCC(c1nnc2n1CCC2)CC(C)(C)C	PC-id_107473168	222.33	PGPWFCKNHHBANL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019644
NC(CC(C)(C)C)Cc1nnc2n1CCC2	PC-id_116273328	222.33	SAPZFXWBRCWDAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019645
NCC(C(C)C)NCc1n[nH]c2c1CCC2	PC-id_106345151	222.33	PMCQCYBIRMDCFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019646
c1(C(=O)CCCCC)cc2c(CCC2)s1	PC-id_5212576,MCULE-8454360787,CoCoCo_6910722,EMOLS-id_8236662,ZINC22_4419588,SPECS-id_AI-942/13331894	222.346	WSCAIZUSCIONFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019647
C=CCCCC(c1sc2c(c1)CCC2)O	PC-id_115804166	222.346	BXHAVYRFMPYHAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019648
CCC(=C)CC(c1sc2c(c1)CCC2)O	PC-id_115817493	222.346	ZODFTWUVNPMOFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019649
CC(=C)CCC(c1sc2c(c1)CCC2)O	PC-id_115834376	222.346	UYMMUKABCKQFTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019650
CCCC(C(=O)c1sc2c(c1)CCC2)C	PC-id_107891330	222.346	YVMFELBDAGODMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019651
CC(CCC(=O)c1sc2c(c1)CCC2)C	PC-id_114966798	222.346	AYPFSQNEBLIIPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019652
CCC(CC(=O)c1sc2c(c1)CCC2)C	PC-id_114969038	222.346	VCGAZKXPENZZGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019653
CC(C(C(=O)c1sc2c(c1)CCC2)C)C	EMOLS-id_313606694	222.346	ORZZFIWMGGKBOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019654
CCC(C(=O)c1sc2c(c1)CCC2)CC	PC-id_115785648	222.346	XJWFQPJAMZVUJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019655
OC(c1sc2c(c1)CCC2)C1CCCC1	PC-id_115840539	222.346	WOWAPRUYLUXPSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019656
OC(c1sc2c(c1)CCC2)CC1CCC1	PC-id_115802294	222.346	AEQZEDPYQAYHTC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019657
OC(c1sc2c(c1)CCC2)CCC1CC1	PC-id_115810675	222.346	RLELNGBCISFORT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019658
C1CC(C1)CNCc1sc2c(n1)CCC2	PC-id_115887340	222.35	OXLFLHAOSQKOJZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019659
C1CCC(C1)NCc1sc2c(n1)CCC2	PC-id_115887214	222.35	USPQHQZIHIXSSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019660
c1(C(C)(C)NC2CC2)sc2c(CCC2)n1	PC-id_61333706,MCULE-6127221645,EMOLS-id_38238530	222.35	ZKSXOGDMYHMUHM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019661
c1(CN2CCNCC2)csc2CCCc12	MCULE-9291917292,PC-id_82509504	222.35	XOVVMRPUMAPHCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019662
CC1CC1CNCc1sc2c(n1)CCC2	PC-id_115887276	222.35	YEQQLEFUHUCMFC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019663
CC1CC1NC(c1sc2c(n1)CCC2)C	PC-id_115997446	222.35	BVNZWVNVRAQEQR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019664
CC1CC(C1)NCc1sc2c(n1)CCC2	PC-id_115887798	222.35	VBLPPPWUMCMUJG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019665
CC1(CCC1)NCc1sc2c(n1)CCC2	PC-id_115888070	222.35	QXULJNAVDYKMNS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019666
CC1CC(c2c1nc(s2)NC1CC1)(C)C	PC-id_106662907	222.35	OMALLLFGDSBXPS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019667
CC1(C)CCc2c1nc(s2)CNC1CC1	EMOLS-id_42568873,PC-id_79857546	222.35	UPSXHSZFMOSVRO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019668
C(C1CCNCC1)c1nc2CCCc2s1	MCULE-4757337715,EMOLS-id_195304617,PC-id_24262114	222.35	LIPNAGWUIJZPOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019669
C(c1sc2c(CCC2)c1)N1CCNCC1	MCULE-7646276954,PC-id_62488871,EMOLS-id_39109820	222.35	JXOZRDNOQQLIKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019670
CC(C1CC1)NCc1sc2c(n1)CCC2	PC-id_115887243	222.35	SKMZXGCQAJNYAT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019671
C(CC1CC1)NCc1sc2c(n1)CCC2	PC-id_115887740	222.35	LBNJZZFOZOZGNT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019672
CC(c1sc2c(n1)CCC2)(CC1CC1)N	PC-id_116224265	222.35	WYIMTLVRWFQWDO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019673
CC(c1sc2c(n1)CCC2)NC1CCC1	MCULE-7840004674,PC-id_146083071,EMOLS-id_324009196	222.35	LEYYQJPXFLFHKN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019674
CC(c1sc2c(n1)CCC2)NCC1CC1	PC-id_115997432	222.35	WMZKRTWHOULCAF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019675
C=CCCC(c1sc2c(c1)CCC2)NN	PC-id_105311537	222.35	QKCWLZONOWWWEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019676
C/C=C/CCNCc1sc2c(n1)CCC2	PC-id_115887554	222.35	YGJVMIUKVCQVIW-NSCUHMNNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019677
C=CCC(NCc1sc2c(n1)CCC2)C	PC-id_115887576	222.35	YEAPDHPVALEXIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019678
CC(C)Nc1[n+](n(c2c1CCC2)C(C)C)C	PC-id_89458345,SCHEMBL14803543	222.35	BZTKMCBYCIMMKX-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-019679
C=CC(NC(c1sc2c(n1)CCC2)C)C	PC-id_115997478	222.35	WTQWZIZFNBHOIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019680
C[C@@H](NC1CCC1)c1nc2c(s1)CCC2	ZINC22_335607885	222.35	LEYYQJPXFLFHKN-MRVPVSSYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019681
C[C@H](NC1CCC1)c1nc2c(s1)CCC2	ZINC22_335607886	222.35	LEYYQJPXFLFHKN-QMMMGPOBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019682
N1CCC(CC1)CN1Cc2c(C1)ccs2	PC-id_141042101	222.35	BIBQVJYCHGQJHP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-019683
NC1CC(C1)NCc1sc2c(c1)CCC2	EMOLS-id_313530564,PC-id_80560688	222.35	FAJPNZDFGWTQHK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019684
NNC(c1sc2c(c1)CCC2)C1CCC1	PC-id_105340103	222.35	RYLNTSHSAQXJCF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019685
NNC(c1sc2c(c1)CCC2)CC1CC1	PC-id_105311048	222.35	OFWRMRZYMCUDNE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019686
NNC(c1sc2c(c1)CCC2)CC(=C)C	PC-id_105319535	222.35	BOUMJFFCQSNFGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019687
NNC(c1sc2c(c1)CCC2)C=C(C)C	PC-id_105319797	222.35	DJQINHWOKSYGIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019688
s1c2c(CCC2)cc1CNC1CCNC1	PC-id_79741576	222.35	CDJCEMMBGNYZMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019689
s1c(nc2c1CCC2)CC1CCCNC1	PC-id_24262134	222.35	MSGQESASMICWEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019690
s1c(nc2c1CCC2)[C@@H](N)C1CCCC1	PC-id_82677679	222.35	XQKXNPZOBSQUPR-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-019691
s1c(nc2c1CCC2)C(NC1CC1)CC	PC-id_61333321	222.35	YABQUHXVHVTTSB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019692
s1c(nc2c1CCC2)C(N)(C1CC1)CC	PC-id_64918274	222.35	MBKZRSKCHATLAJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019693
s1c(nc2c1CCC2)C(N)(C1(CC1)C)C	PC-id_80290721	222.35	OXJOOVOGMIKGHZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019694
s1c(nc2c1CCC2)C(N)C1CCCC1	PC-id_62071083	222.35	XQKXNPZOBSQUPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019695
s1c(nc2c1CCC2)C(NC)(C1CC1)C	PC-id_61332743	222.35	YQZSBLBCIHUHCW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019696
s1c(nc2c1CCC2)C(NC)C1CCC1	PC-id_80488117	222.35	AQLZBJOQHXOGDI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019697
s1c(nc2c1CCC2)C(NCC)C1CC1	PC-id_61332220	222.35	KZWRLVUXAJVGGD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019698
s1c(nc2C(CCc12)(C)C)C(N)C1CC1	PC-id_79857544	222.35	QZHQKWDFWNAMCB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019699
CC(C1(CCc2c1scc2)C(C)(C)C)C	SCHEMBL4549137,PC-id_59025363	222.389	HEAZEHDRTHXUAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019700
CCC(c1sc2c(c1)CC(C2)(C)C)(C)C	SCHEMBL12044726,PC-id_70641248	222.389	LKGVBTWOMFGCCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019701
[Si](c1c2CCCc2oc1CCC)(C)(C)C	PC-id_10867901	222.399	FVJQTZVRBNQQKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019702
[S+]1(Cc2sc(=[S+]C)sc2C1)C	PC-id_10506153	222.414	NWVQVFWBJMLFEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019703
Clc1nc2[S+](O)CCn2c1[N+](=O)[O-]	PC-id_50878410	222.63	JDPYRUSTPYAABN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019704
c1c(sc2c1S(=O)(=O)N=C2[O-])Cl	SPECS-id_AU-059/43515479,PC-id_135398490	222.649	KGVFHYPEUMEXHV-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-019705
Clc1nc2CCCc2n1Cc1ccco1	ZINC22_22126275,PC-id_30033105,EMOLS-id_31520398,MCULE-6963030749	222.671	HHUYYTPTMYLJEH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-019706
ClC(=O)c1sc2c(c1F)CSC2	PC-id_118258845,SCHEMBL16938921	222.687	SCMTXSKUTYIVGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019707
ClS(=O)(=O)c1c2CCCc2sc1	PC-id_71670736	222.712	PDZYYMGJUNRUOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019708
ClS(=O)(=O)c1cc2CCCc2s1	EMOLS-id_313579031,PC-id_55280541,MCULE-9150128852	222.712	YPEBMPJQHQLLPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019709
Brc1n[nH]c2c1C(F)(F)CC2	PC-id_105480199	223.018	GWURSHYZNUPQMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019710
FC1(F)Cc2c(Br)cnn2C1	MCULE-5350446807,EMOLS-id_320441877	223.018	AVARMSCECKTATM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019711
FC1(F)Cc2cc(Br)nn2C1	MCULE-1621244625,EMOLS-id_320439061	223.018	QYFQQCDODSDUGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019712
c12C(=O)OC(=O)c1c(Cl)sc2Cl	SCHEMBL19748140,MCULE-2350241534	223.033	OEPSYZSURHKULR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019713
Clc1c2c(sc1Cl)C(=O)OC2=O	PC-id_16639522	223.033	DWOMSVMXLIODPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019714
COC(=O)C1(C2=C(C=CO2)C=N1)C(=O)OC	PC-id_165389610	223.048	GZNOQAXUBIXRQQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019715
B(C1(C=c2cc(sc2=C1)C(=O)N)C)(O)O	PC-id_90142354,SCHEMBL15698909	223.057	OZUZMBPFPNCHSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019716
CC1(C2=C(CN1C(=O)[O-])C=NN2C(=O)[O-])C	PC-id_153837930	223.06	VHAVDUZAPCMSKH-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-019717
CC1(C2=NN(C=C2CN1C(=O)[O-])C(=O)[O-])C	PC-id_154234195	223.06	QDZIVEOVGBUSCK-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-019718
CCCC(=O)NC1CC(=O)C2=C1C=CS2	PC-id_153785716	223.067	BQUSBEHOYBLFKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019719
Clc1sc(Cl)c2c1C(O)CC2=O	PC-id_395860	223.076	IPLHVUWWQLHYTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019720
O=C1C[C@@H](c2c1c(Cl)sc2Cl)O	CoCoCo_5768371,NSC700862	223.076	IPLHVUWWQLHYTD-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019721
O=C1C[C@H](c2c1c(Cl)sc2Cl)O	CoCoCo_5768372	223.076	IPLHVUWWQLHYTD-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019722
CC1=C(N2CCC(C2=C1C(=O)O)C(=O)O)C	PC-id_153882149	223.084	BLTCYSXZOJXKAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019723
C=C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_163791723	223.1	MXIXICYHFHYNCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-019724
Clc1sc(c2c1C(=O)C[C@@H]2[NH3+])Cl	GD-id_ZINC01638247	223.1	BAGAALISAFYOGI-REOHCLBHSA-O	00000010100000000000000010000000000000000000000000000000	25-01-019725
Clc1sc(Cl)c2[C@H](N)C[C@H](N)c12	CoCoCo_5768367,PC-id_395858	223.123	FWZHCWBATKEGSY-WSOKHJQSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019726
Clc1sc(Cl)c2C(N)CC(N)c12	PC-id_499711	223.123	FWZHCWBATKEGSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019727
N[C@@H]1C[C@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5768368	223.123	FWZHCWBATKEGSY-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019728
N[C@H]1C[C@@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5768369	223.123	FWZHCWBATKEGSY-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019729
CC1C2=C(CN1C(=O)OC(C)(C)C)NN=C2	EMOLS-id_337164501,PC-id_162361639	223.132	JEYZLRSNAHPLBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019730
CC1=C2N(CCN2C(=O)OC(C)(C)C)C=N1	PC-id_153609529	223.132	DCZNVXISSWMAAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019731
CC(C)(C)OC(=O)N1C2=C(CCC2)C(=N1)N	PC-id_155238898	223.132	XMSLVNJSNYUBPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019732
CCCCC1(CC2=C(C1)SC=N2)CCC	PC-id_155179840	223.139	XDNNOIJJAFGFTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019733
CC(C)N1CC2=C(C1)N(C(=O)N2)C(C)(C)C	PC-id_164082413	223.168	WYVJAAFFSOHZLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019734
F[C@@H]1CCn2c1nc(n2)CCC(F)(F)F	PC-id_142555694	223.171	BIAADAIYELGMMM-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019735
O=CS1n2cncc2N=C1C(F)(F)F	SCHEMBL20744389	223.176	SRFVWDJYWARWGR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019736
COC(=O)c1cc2c(n1C(=O)O)CCC2=O	SCHEMBL1004591,PC-id_66873663	223.182	XUVQJYDYNZYFNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019737
CCN1C(=O)c2[nH]nc(C(=O)OC)c2C1=O	PC-id_3239660,ChEMBL-DNDi_CHEMBL1511017,CHEMBL1511017,BindingDB-id_83691,BindingDB_PC-id_3239660	223.185	GJOOSGQNSPTMAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019738
O=C1N(CCC(=O)O)C(=O)c2n1c(nc2)C	PC-id_83680801	223.185	XDEAARZBPMNFCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019739
O=C1N(C(=O)c2ncn(c12)CC)CC(=O)O	PC-id_83814512	223.185	IRYXCUDDCSZJJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019740
c1(cnn2CC(F)(F)Cc12)S(=O)(=O)N	EMOLS-id_320441621,MCULE-9131031430	223.2	XAWLOAIIGOVQPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019741
FC(S(=O)(=O)N1Cc2c(C1)c[nH]n2)F	MCULE-1992989664,EMOLS-id_107824006	223.2	CYJSGFFTLALBTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019742
n1(CC(F)(F)F)nc2c(CSC2)c1N	EMOLS-id_324395608,MCULE-4556864412	223.219	BVXCWKFTPNDXLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019743
C1Cn2cc(C(=O)OC)c(C(=O)OC)c2C1	EMOLS-id_2721303,LI_61794,PC-id_317901,CoCoCo_5558460,NSC251821,SPECS-id_AS-970/QB07975,MCULE-1562944740,ZINC22_4344266,SCHEMBL7764747	223.225	KAPKVPKCSFOQNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019744
CCOC(=O)c1c2C[C@H](Cn2cc1)OC=O	PC-id_134894505	223.225	YTQFIJWOPOPLQS-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019745
CCOC(=O)C1CCn2c1c(cc2)C(=O)O	SCHEMBL10816689,PC-id_20253905	223.225	HECQWECJPJYDMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019746
CC(=O)OC1CCc2c1[nH]c(c2C)C(=O)O	SCHEMBL13282780,PC-id_70875318	223.225	WIRXPJOHMFJJPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019747
COC(=O)c1c(C)c(c2n1CCC2)C(=O)O	PC-id_139434851,SCHEMBL21296685	223.225	IISQXYINOLAGPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019748
COC(=O)c1ccn2c1[C@H](C(=O)OC)CC2	ZINC22_39291786	223.225	DZIUBZBUCNXSDD-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019749
COC(=O)c1ccn2c1[C@@H](C(=O)OC)CC2	ZINC22_39291788	223.225	DZIUBZBUCNXSDD-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019750
COC(=O)C1CCn2ccc(C(=O)OC)c12	MCULE-9619995308,PC-id_12795063,SCHEMBL9673840,EMOLS-id_93455110	223.225	DZIUBZBUCNXSDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019751
O=C(N1Cc2c(C1=O)cco2)OC(C)(C)C	PC-id_102052387	223.225	OEDPARGCHJDOCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019752
O(C(=O)c1c2CCCc2[nH]c1C(=O)OC)C	PC-id_13129402	223.225	NEBZPVGKAAXSDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019753
OC(=O)C1c2n(CC1)cc(c2C(=O)O)CC	PC-id_12795084	223.225	KHUKEYGYWCCBPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019754
OC(=O)C1c2n(CC1)cc(c2C(=O)OC)C	PC-id_82662252	223.225	GKUILRIVXPJVJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019755
OC(=O)C1(C(Cn2c1c(cc2)C(=O)O)C)C	PC-id_54524936,SCHEMBL9675166	223.225	YSLWZAMNNPIZRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019756
c1(C(=O)N)c2C(C)CCc2n(CC(=O)O)n1	EMOLS-id_331038723,MCULE-4263773916	223.229	OVJXQKSJQMNKSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019757
c1(C(=O)NCC(=O)OC)c2CCCc2[nH]n1	MCULE-7050972719,EMOLS-id_323258035	223.229	RZOFCHYXBSVHRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019758
Cc1cc2n(n1)CCN2C(=O)CCC(=O)O	SCHEMBL16826047,PC-id_118165449	223.229	FFAGQDXUMNSQRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019759
CC1CCc2nn(CC(=O)O)c(C(=O)N)c12	MCULE-9922852542,EMOLS-id_330960577	223.229	YKBMUKGXXIRQCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019760
CC1(CC(=O)O)C(=O)Nc2c1n(C)c(n2)C	PC-id_112485341	223.229	DJGADBZPSUJRHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019761
CCOC(=O)c1c(C)nn2c1N(C=O)CC2	SCHEMBL18740200	223.229	HAWKWSHYFRDIHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019762
CC(=O)N1Cc2c(n[nH]c2C1(C)C)C(=O)O	EMOLS-id_331171581	223.229	GEOQQNJPOPJDRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019763
CC(=O)NCc1nn2CCCc2c1C(=O)O	EMOLS-id_331170301	223.229	UGZBQDIJECFWRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019764
COC1CN(C1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99578281	223.229	FYROAPOEJGFJSB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019765
O=C(c1cc2n(n1)CCO2)N1CC(C1)(C)O	EMOLS-id_99610670	223.229	VZDUUCVJQXIXMA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019766
O(C(C)(C)C)C(=O)n1nc2c(CNC2=O)c1	PC-id_84028394	223.229	ZRKSEJSNRJMGIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019767
O=C(N1Cc2c(C1)cn[nH]2)OC1CCOC1	EMOLS-id_316591570	223.229	CINLYZHXCRNDBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019768
O=C(N1CCn2c1ncc2)CC1OCCO1	EMOLS-id_320206773,MCULE-9746097777	223.229	DLHNWPBURWSBCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019769
OC(=O)CCC(=O)N1CCc2n1c(C)cn2	SCHEMBL16826049,PC-id_118165450	223.229	MMRCAISNKGIXEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019770
p1cn2C(=O)[N+](=Cc2c1)CCCCCC	PC-id_20783504	223.231	LOKHIJUWSCBZLL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-019771
c12ncnn1C(C(=O)N2)CC(=O)NCCC	EMOLS-id_46468121,SPECS-id_AN-153/NB26754,PC-id_136266809,MCULE-9162761403	223.232	AETYPUQZYAINSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019772
CCCNC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_136677564,ZINC22_95117662	223.232	AETYPUQZYAINSW-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019773
CCCNC(=O)C[C@H]1C(=O)Nc2ncnn12	PC-id_136677565,ZINC22_95117663	223.232	AETYPUQZYAINSW-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-019774
CC(=N)OC(=N)c1nc2c(n1C)CN(C2)O	PC-id_144979606	223.232	WLJYJTDFGOYQGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019775
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)C	SCHEMBL12307441,PC-id_46184649	223.232	JAXJFNMRUWXACP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019776
CCC1CC(c2n1nc(n2)C(=O)C1CC1)F	SCHEMBL20645938,PC-id_137412527	223.247	DMOXICFBKKUGBU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019777
CC[C@H]1CCc2n1nc(n2)C(=O)[C@@H]1C[C@@H]1F	PC-id_137412639,SCHEMBL20646061	223.247	JANVGLWOKAVUNA-RNJXMRFFSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019778
CC[C@@H]1C[C@@H](c2n1nc(n2)C(=O)C1CC1)F	PC-id_137408709,SCHEMBL20641531	223.247	DMOXICFBKKUGBU-SFYZADRCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019779
C[C@H]1C[C@H](c2nc(nn12)C(=O)C1CCC1)F	SCHEMBL20646062,PC-id_137412640	223.247	BMBMSHZXAGUSCB-POYBYMJQSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019780
FC[C@@H]1C[C@H]1NC(=O)c1cn2c(n1)CCC2	EMOLS-id_318868654	223.247	VYKAOEUAZHTQBB-JGVFFNPUSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019781
FC[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCC2	EMOLS-id_319141376	223.247	PXCBPQFIEBWQHN-JGVFFNPUSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019782
FC[C@@H]1C[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_319630656	223.247	OAIYPFKXZOZAHW-IONNQARKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019783
FC[C@@H]1C[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318878530	223.247	JXSMDFQYVLOYQU-IONNQARKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019784
FC[C@@H]1C[C@H]1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_320082017,MCULE-8045132537	223.247	PNRQGYXJHDABRQ-IMTBSYHQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019785
COC(=O)c1c(sc2c1CC=C2)C(=O)N	PC-id_142146923	223.248	OGHWWPNVWFDPQU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-019786
O=C=Nc1sc2c(c1C(=O)OC)CCC2	PC-id_20186656,SCHEMBL10712066	223.248	LMRVTAANCWHROA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019787
s1c2NC(=O)/C(=C/C(=O)OCC)/c2cc1	PC-id_10977069	223.248	UZTCNQURJAVWTP-FNORWQNLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019788
s1c2NC(=O)C(=CC(=O)OCC)c2cc1	PC-id_85353086	223.248	UZTCNQURJAVWTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019789
CC(C)C(=O)OCc1c2C(CCn2cc1)O	PC-id_91995142	223.268	OYKLKZRLOAJOLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019790
CCOC(=O)C1Cc2c(N1)c(co2)C(C)C	PC-id_71123900,SCHEMBL14288679	223.268	ABXGLADNMVHNQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019791
CCOC(=O)c1cc2c([nH]1)C(CO2)C(C)C	SCHEMBL12906718,PC-id_70796266	223.268	BZMFDVRJSZUXAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019792
COc1coc2c1CCN2C(=O)C(C)(C)C	PC-id_101153700	223.268	FLJWSRCPKBHABP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019793
o1c2c(CCC2)c(c1C(C)C)C(N)C(=O)O	PC-id_84688299	223.268	GWEJXFWFPXHBPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019794
o1c2C(CCc2cc1CC)(CC(=O)O)CN	PC-id_83910840	223.268	ABKRLQXQRPFTSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019795
o1c2c(CCC2)c(C(N)CCC(=O)O)c1C	PC-id_84789021	223.268	LXDVXKTYTYYMIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019796
o1c2c(C(CC2)(CC(=O)O)CN)cc1CC	PC-id_83910841	223.268	UPJWNNRPGHWSQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019797
o1c2c(c(C(CC(=O)O)CN)c1C)CCC2	PC-id_84789016	223.268	RHMAMDJIIAQOPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019798
o1c2c(CN(C2)C)c(c1C(C)C)CC(=O)O	PC-id_84788982	223.268	FKVIFLIZLHKUIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019799
o1c2c(C(N)(CC2)C(=O)OC)cc1C(C)C	PC-id_83910848	223.268	IZWIOHFSNOKXHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019800
o1c2C(N)(CCc2cc1C(C)C)C(=O)OC	PC-id_83910846	223.268	OGXNWYRNPNIDJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019801
O1Cc2c(c([nH]c2C1)C(C)(C)C)CC(=O)O	PC-id_84788983	223.268	HZFVYSLJAVDOFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019802
O1C(c2nocc2C1)(C(=O)CCCCC)C	PC-id_9991160	223.268	KFTKLZIIVAJHRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019803
o1c(C(C)(C)C)c(c2c1CNC2)CC(=O)O	PC-id_84788980	223.268	LLVOXEZXVMAZSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019804
o1c(C(C)(C)C)c(c2c1CN(C2)C)C(=O)O	PC-id_84788981	223.268	DVVTWFHWQMDZRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019805
o1nc(c2C(CCc12)CC(=O)O)C(C)(C)C	PC-id_83861460	223.268	LIMAWTAMCXUAPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019806
OC1(CCc2c1cn(c2)C(C)C)CC(=O)O	PC-id_83910843	223.268	DRAZQCJDIDUIHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019807
O(CCn1c2c(CCC2)c(c1C)C(=O)O)C	PC-id_28473830	223.268	FOHNRPQWWLQMMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019808
Cc1ccc(cc1)/C=C/1Cn2c(C1=O)ccc2	PC-id_101843891	223.27	KRYDWBQZAZCJLX-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-019809
c12CN(Cc1nn(CCC)c2)C(=O)OCC	MCULE-2032624089,EMOLS-id_324341089	223.272	XGWJTKYXBXBADI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019810
C1CC[C@@H](OCc2nnn3c2CCC3)OC1	PC-id_92151700,ZINC22_1617329,CoCoCo_5680377	223.272	XHDNAHSIMDYOSP-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019811
C1CC[C@H](OCc2nnn3c2CCC3)OC1	PC-id_92269419,CoCoCo_5680376,ZINC22_5566907,NSC623687	223.272	XHDNAHSIMDYOSP-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-019812
c1(C(=O)N)c2C(C)CCc2n(CCCO)n1	MCULE-3403678744,EMOLS-id_331041539	223.272	YQTPHBUXLVIHDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019813
c1(C(=O)N)c2C(C)CCc2nn1CCCO	MCULE-4378118254,EMOLS-id_330959298	223.272	GWZJZGJRELZLPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019814
c1(C(=O)NC)c2COCc2nn1CC(C)C	MCULE-6905682334,EMOLS-id_324403034	223.272	HTGVCLUBHAYJNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019815
c1(C(=O)N(C)C)c2COCc2nn1CCC	EMOLS-id_324400730,MCULE-4345004483	223.272	SRNMGGFWGVGVRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019816
c1(C(=O)NCC)c2COCc2nn1C(C)C	MCULE-5682296159,EMOLS-id_324400987	223.272	HZZZCLSSONYSAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019817
c1(C(=O)NC(CC)CO)c2CCCc2[nH]n1	EMOLS-id_323259064,MCULE-2894402431	223.272	FYPQERMXXQHMLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019818
c1(C(=O)N(CC)CCO)c2CCCc2[nH]n1	EMOLS-id_334699424,MCULE-6219399513,PC-id_110898808	223.272	PKDAOIWXWYDJBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019819
c1(C(=O)NCCCOC)c2CCCc2[nH]n1	EMOLS-id_179744509,MCULE-3057366805,PC-id_110388810	223.272	XESIBQOQOJVHBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019820
c1(C(=O)NCCCOC)cn2c(CCC2)n1	MCULE-2166848056,EMOLS-id_321296083	223.272	FGVLSYTZVIYICO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019821
c1(C(=O)NCCOC)c2CCCc2n(C)n1	PC-id_110388985,MCULE-4305476944,EMOLS-id_179745022	223.272	VYHBBWFBWYAVIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019822
c1(C(=O)O)c2C(C)CCc2n(CCCN)n1	MCULE-1132017414,EMOLS-id_330988795	223.272	IVSNSLMCOFNGKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019823
c1(C(=O)O)c2C(C)CCc2nn1CCCN	MCULE-9926916373,EMOLS-id_330972860	223.272	LAWCJZFELNSNNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019824
c1(C(=O)OC(C)(C)C)c2CNCc2nn1C	MCULE-4603712656,EMOLS-id_324349793	223.272	LKFWGHBKJHEBNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019825
Cc1c2n(CCO2)nc1C(=O)NCC(C)C	PC-id_91959976	223.272	IFTXPJFSYMORCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019826
Cc1nc2CN(Cc2[nH]1)C(=O)OC(C)(C)C	EMOLS-id_324037325,PC-id_67311958,SCHEMBL2191982	223.272	KXVANWPXHPNEEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019827
CC1N(Cc2cn[nH]c12)C(=O)OC(C)(C)C	EMOLS-id_337808625	223.272	RFCTZAVMUQIEMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019828
Cc1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2	EMOLS-id_53915449,SCHEMBL19376755,ZINC22_95644212,EMOLS-id_44840678,PC-id_72207598,MCULE-7222092308	223.272	QVAXHLTUZGFIBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019829
CCC1CCc2c1nc([nH]2)C(C(=O)OC)N	PC-id_102970624	223.272	WZLSLDKDCVHJFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019830
CCC1CCc2c1nc([nH]2)[C@@H](C(=O)OC)N	PC-id_102970637	223.272	WZLSLDKDCVHJFR-XDKWHASVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019831
CCCC1CCc2n1nc(n2)C(=O)OCC	SCHEMBL20645846,PC-id_137412442	223.272	LWLDAIOJWAQZOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019832
CCCC(C)NC(=O)c1nn2CCOc2c1	PC-id_91959897	223.272	PZCFHGMXNJXPFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019833
CCC(C(C(=O)N1Cc2c(C1)cn[nH]2)C)O	MCULE-4256725533,EMOLS-id_258086353	223.272	XLQDVTUGZOYPAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019834
CC(C)CC(=O)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_2325797037	223.272	WUIZBLQAQZWKNZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-019835
CC(C)CC(=O)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_2325797038	223.272	WUIZBLQAQZWKNZ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019836
CCC(C(C(=O)N1CCn2c1ncc2)C)O	EMOLS-id_258164344,MCULE-9112596078	223.272	SDSGJXGBQIMINO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019837
CCCC(C(=O)NC1CCn2c1cnc2)O	EMOLS-id_319301769	223.272	BNBQHSCUSYBCQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019838
CCC[C@@H](c1nnc2n1C(CC2)C(=O)O)C	PC-id_70961504,SCHEMBL13654968	223.272	VXZKMHQGVYIRGG-JAMMHHFISA-N	00000010100000000001000010000000000000000000000000000000	25-01-019839
CCC(C)NC(=O)c1nn2CCOc2c1C	PC-id_91959977	223.272	ZBURMUUKNGZRIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019840
CC(CCNC(=O)c1n[nH]c2c1CCC2)O	PC-id_111433749	223.272	MKXOXZSZRABWOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019841
CC(C)(C)NC(=O)OC1CCn2ccnc12	EMOLS-id_95581246,MCULE-8750900455	223.272	BBDVWGBOCRFMKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019842
CC(C)(C(N)C(=O)O)c1n[nH]c2CCCc12	MCULE-7026051679,EMOLS-id_313883995	223.272	OAQNOJIYMZKZLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019843
CC(C)(C)NC(=O)O[C@@H]1CCn2ccnc12	SCHEMBL19220264,ZINC22_498051002	223.272	BBDVWGBOCRFMKY-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019844
CC(C)(C)NC(=O)O[C@H]1CCn2ccnc12	ZINC22_498051003	223.272	BBDVWGBOCRFMKY-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019845
CC(C)(C)OC(=O)c1c(N)nc2CCCn12	EMOLS-id_259740481,MCULE-1031096648	223.272	XGLZPBWIMZWRGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019846
CC(C)(C)OC(=O)CC1NCc2n[nH]cc12	EMOLS-id_277373234,MCULE-5579846233	223.272	KIVLFHPKHPYIRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019847
CC(C)(C)OC(=O)NC1Cc2cncn2C1	EMOLS-id_259660761,MCULE-7268801096	223.272	JABKITWPYBMVCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019848
CC(C)(C)OC(=O)NC1CCc2[nH]ncc12	EMOLS-id_324142848	223.272	CPIXKVAGZNGBFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019849
CC(C)(C)OC(=O)N[C@H]1Cc2cncn2C1	EMOLS-id_337416784	223.272	JABKITWPYBMVCB-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019850
CC(C)(C)OC(=O)N[C@H]1CCc2[nH]ncc12	EMOLS-id_324143104	223.272	CPIXKVAGZNGBFC-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019851
CC(C)(C)OC(=O)N[C@@H]1CCc2[nH]ncc12	EMOLS-id_324143360	223.272	CPIXKVAGZNGBFC-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019852
CC(Cn1nc(c2c1CN(C2)C)C(=O)O)C	PC-id_105480652	223.272	YQWPRGVAAOICQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019853
CC(CN(C(=O)c1n[nH]c2c1CCC2)C)O	PC-id_111695219	223.272	RVYYQNDRNMBPSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019854
C[C@H]1N(Cc2n[nH]cc12)C(=O)OC(C)(C)C	EMOLS-id_337164245	223.272	JEYZLRSNAHPLBZ-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019855
CCN1Cc2c(C1)c(n(n2)C(C)C)C(=O)O	PC-id_105480577	223.272	UXYBPYVJQXJBAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019856
CCN1Cc2c(C1)c(nn2C(C)C)C(=O)O	PC-id_105480580	223.272	JKWVJMPJHFXBSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019857
CCn1nc2c(c1C(=O)O)CN(C2)C(C)C	PC-id_105480575	223.272	UXNBLGMHHOUZMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019858
CCn1nc(c2c1CN(C2)C(C)C)C(=O)O	PC-id_105480578	223.272	VCBZQFSPJRCWAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019859
CCOC(C(=O)N1Cc2c(C1)cn[nH]2)(C)C	MCULE-2516156798,EMOLS-id_316434111	223.272	ROLHBJSOJFDMHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019860
CCOC(=O)c1nc2c(n1C(C)C)CNC2	SCHEMBL17380237,PC-id_118613977	223.272	KKBWJDPZYYEFKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019861
CCOC(=O)c1nn2[C@@H](CCc2n1)C(C)C	SCHEMBL20645865,PC-id_137412459	223.272	PDMRGTRDQBDAPL-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019862
CCOC(=O)c1nn2c(n1)CCC2C(C)C	SCHEMBL18366636	223.272	PDMRGTRDQBDAPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019863
CCOC(=O)Cn1nc2CCC(C)c2c1N	EMOLS-id_331014564,MCULE-8343964853	223.272	NLCXZGMYOWAAFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019864
CCOC(=O)Cn1nc(N)c2C(C)CCc12	MCULE-9104115696,EMOLS-id_330968561	223.272	BNOFFAOJJDYEDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019865
CCOC(=O)n1c(c2CNC(c2n1)(C)C)C	PC-id_89864895,SCHEMBL15338604	223.272	JPVMTUXUZOWMBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019866
CCOC(=O)n1nc2c(c1N)CCC2(C)C	PC-id_70907640,SCHEMBL13454781	223.272	QGWOSJAMCCSEMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019867
CCOC(=O)n1nc(c2c1C(C)(C)CC2)N	PC-id_69758014,SCHEMBL6375054	223.272	FYHZSZWIOKRJFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019868
CC(=O)N1Cc2c(C1)cn(n2)CC(O)(C)C	SCHEMBL14970394,PC-id_89583843	223.272	OHEUDTXQHQERNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019869
CN1Cc2c(C1)c(nn2C(C)(C)C)C(=O)O	PC-id_105480651	223.272	GXOHAHIGHOYSJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019870
CN1Cc2c(C1)c(n(n2)C(C)(C)C)C(=O)O	PC-id_105480667	223.272	GKRGFAIMKNDGIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019871
CN1Cc2c(C1)c(n(n2)CC(C)C)C(=O)O	PC-id_105480668	223.272	USTLYPDGXKYVAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019872
Cn1cc2C(NCc2n1)C(=O)OC(C)(C)C	EMOLS-id_259640480,MCULE-5879690456	223.272	IEQCSNASFPRMOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019873
Cn1cc2CN(Cc2n1)C(=O)OC(C)(C)C	SCHEMBL18376191,MCULE-2010163088,PC-id_121231993,EMOLS-id_92489850	223.272	HHVUNKYCSRFVBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019874
Cn1nc(c2c1CN(C2)C(C)(C)C)C(=O)O	PC-id_105480579	223.272	FFLGEKWOGKBHRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019875
Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2	PC-id_71711018,MCULE-7323205309,EMOLS-id_45989028,ZINC22_95705164,SCHEMBL20364274	223.272	KGBHFJOKPVPTJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019876
Cn1ncc2C(NCc12)C(=O)OC(C)(C)C	EMOLS-id_329944052	223.272	JECMPPQGEQRFTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019877
COCC(=O)N1Cc2c(C1)c(n[nH]2)C(C)C	SCHEMBL17229719,PC-id_118489246	223.272	QUZKXAALGUHMKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019878
COC(=O)c1c2CNCc2nn1C(C)(C)C	MCULE-7157053201,PC-id_105480581,EMOLS-id_324345450	223.272	HTYQUEIOUGTKDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019879
COC(=O)c1nn(c2c1CNC2)C(C)(C)C	PC-id_105480584	223.272	BPNLZOBNALXBOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019880
COC(=O)CCC(N)c1n[nH]c2CCCc12	MCULE-5610610985,EMOLS-id_313877329	223.272	CYPJKAXWJDXIIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019881
COC(=O)CC(CN)c1n[nH]c2CCCc12	MCULE-5782046228,EMOLS-id_313877585	223.272	UGQSGSKTACYCQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019882
COC(=O)Cn1nc2CCC(C)c2c1CN	MCULE-2768555665,EMOLS-id_330997946	223.272	JNWKVNGMWWXLIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019883
COC(=O)Cn1nc(CN)c2C(C)CCc12	MCULE-9329788657,EMOLS-id_331014906	223.272	FRPPRARNIZHUSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019884
COC(=O)N1Cc2c(C1)cn(n2)C(C)(C)C	SCHEMBL19505114	223.272	GFNIZMYNBWYRMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019885
COC(=O)N1Cc2c(C1)n(nc2)C(C)(C)C	SCHEMBL19505289	223.272	QNCMPOQRDXWILE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019886
n1c2CCCn2c(C(CN)CC(=O)O)c1C	MCULE-5635408936	223.272	WLAIGNJJFSDVJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019887
n1n2c(CCC2)cc1NC(=O)OC(C)(C)C	MCULE-4385786190,SCHEMBL14929658,PC-id_86684089	223.272	IWOWAGGYGQLSPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019888
NC(c1nc2c([nH]1)COC2C)C1COCC1	PC-id_102970344	223.272	GSWFEQWIEAQRNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019889
O1CCN(CCc2onc3c2CNC3)CC1	PC-id_83849898	223.272	WNKKVASOMXUCTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019890
O1C(OCc2nnn3c2CCC3)CCCC1	PC-id_360959	223.272	XHDNAHSIMDYOSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019891
O=c1n(CC2CCCCN2)[nH]c2c1COC2	PC-id_105480682	223.272	GSWDEVSMXRRPHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019892
O=c1n(CC2CCCNC2)[nH]c2c1COC2	PC-id_105480681	223.272	RPAHDHHPZLLKQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019893
O=c1n(CC2CCNCC2)[nH]c2c1COC2	PC-id_105480680	223.272	AYMBZLMPJAQWSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019894
O(C(C)(C)C)C(=O)N1CCn2nc(cc12)C	SCHEMBL798568,PC-id_58377082	223.272	GZFOSNCHUADSMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019895
O(C(C)(C)C)C(=O)NC1CCn2c1cnc2	PC-id_21608162	223.272	WWWUUTUIBROJSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019896
OCC(CNC(=O)c1n[nH]c2c1CCC2)C	PC-id_112372303	223.272	SBYFDCDZWUJELV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019897
CCCCCN1C(=O)C(=O)c2c1ccs2	SCHEMBL561518,PC-id_66725414	223.291	SKUODQSTTWEECJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019945
OCC(N(C(=O)c1n[nH]c2c1CCC2)C)C	PC-id_109388599	223.272	FSJNSWIHEHUWRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019898
OCC(NC(=O)c1n[nH]c2c1CCC2)(C)C	PC-id_110000610	223.272	HOBNEYNMKCKZMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019899
O=C(C(O)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320151280,MCULE-6549850576	223.272	YWOFEBTVGCWEIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019900
OC(=O)C1n2c(nnc2C(CCC)C)CC1	PC-id_77970873	223.272	VXZKMHQGVYIRGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019901
O(C(=O)C1(N)c2c([nH]nc2C(C)C)CC1)C	PC-id_83910860	223.272	KGLGPBGMOYEBSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019902
OC(=O)C1(N)c2c(nn(c2C(C)C)C)CC1	PC-id_83910862	223.272	YKWXZPQTCYDVGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019903
OC(=O)C1(N)c2c(n(nc2C(C)C)C)CC1	PC-id_83910863	223.272	KNRHZGWMBPCKQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019904
OC(=O)C1(N)Cc2c(C1)[nH]nc2C(C)(C)C	PC-id_112485310	223.272	CZFCHLZFNYKTHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019905
OC(=O)c1n(C)nc2c1CN(C2)C(C)(C)C	PC-id_105480576	223.272	RCEDEPIQCDWWRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019906
OC(=O)c1n(nc2c1CCC2)CCN(C)C	PC-id_82287121	223.272	ZCGQKTRMNJPDLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019907
OC(=O)c1nn(c2CCCc12)CCN(C)C	PC-id_82287123	223.272	URHLXDSSPWZXCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019908
OC(=O)CC1(CCc2n(nc(c12)C)C)CN	PC-id_83910853	223.272	MQBARRFHOBUVLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019909
OC(=O)CC1(CCc2nn(c(c12)C)C)CN	PC-id_83910854	223.272	UFJQEKQTSYSNDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019910
O(C(=O)C(c1n2CCCc2nn1)(C)C)CC	PC-id_79471819	223.272	IZVVVKJXTVMTBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019911
O(C(=O)C(c1n2CCCc2nn1)CC)CC	PC-id_79472752	223.272	OKJGMJFGIRFYHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019912
OC(=O)CC(c1nn(c2c1CCC2)C)CN	PC-id_84688416	223.272	PXAXDYUFUPNVPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019913
OC(=O)CC(c1n(nc2c1CCC2)C)CN	PC-id_84688420	223.272	UESXGUXZDPCVQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019914
OC(=O)CC(Cc1n2CCCc2nn1)(C)C	PC-id_62934908,EMOLS-id_39482827	223.272	UOWMOSNWJKVIFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019915
O=C(OC(C)(C)C)NC1Cc2c(C1)cn[nH]2	PC-id_102568801	223.272	MBKLUZWSAVEBNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019916
O=C(OC(C)(C)C)Nc1cnn2c1CCC2	PC-id_118347588,SCHEMBL17054291	223.272	AIRMPFVTXBWKAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019917
OC(=O)CCC(N)c1nn(c2c1CCC2)C	PC-id_84688415	223.272	UKKLQQBCJSEEDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019918
OC(=O)CCC(N)c1n(nc2c1CCC2)C	PC-id_84688419	223.272	IVXCLGIKGDWVPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019919
OC(=O)N(C(C)(C)C)c1cnn2c1CCC2	PC-id_118340678,SCHEMBL17045456	223.272	JODXRJFZXWHQET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019920
N#Cc1c2c(CCC2)n(Cc2ccccc2)n1	PC-id_58713631,EMOLS-id_317716692,MCULE-4634793475	223.273	BNELWVGPIJEFFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-019921
c1(CN(C)C(=O)CCN)nnc2CCCn12	PC-id_60963937,EMOLS-id_37961445,MCULE-6317389288	223.275	BQSFBRJLPNBANX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019922
c1(CN(C)C(=O)[C@H](C)N)nnc2CCCn12	PC-id_61147792,MCULE-4782822298,EMOLS-id_38107597	223.275	FQNLBPVUOWHCQW-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019923
CNCC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_37794866,PC-id_43698146	223.275	NEVXWDUFZRWUFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019924
CNCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_60964265,EMOLS-id_37961451	223.275	LWXNOEMDOZONLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019925
CNN1Cc2c(C1)cn(n2)CC(=O)N(C)C	PC-id_145047485	223.275	ANEOTRWKKPKWSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019926
n12CCOc1nnc2CCN1CCNCC1	MCULE-5033091448	223.275	IKKRUVYWAIOROU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019927
n1c(CCN2CCNCC2)nn2CCOc12	MCULE-4459305384	223.275	DSEQYXIXAASAMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-019928
NCCC(=O)NC(c1nnc2n1CCC2)C	PC-id_43698127,EMOLS-id_37794852	223.275	CCTZNDLLUOHNDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019929
NCCN(C(=O)C1NCc2c1c[nH]n2)CC	MCULE-4876989534,EMOLS-id_320087943	223.275	HBNXFGWROPUUGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019930
O=C1c2nn[nH]c2C(N1NC(C)(C)C)(C)C	SCHEMBL19663865	223.275	AKXMXOGULUUHEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019931
O=C(n1ncc2CN(Cc12)CCNC)CN	PC-id_82391978	223.275	RGAUEQMVIVISQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019932
O=C(NC(c1n2CCCc2nn1)C)[C@@H](N)C	PC-id_61147598	223.275	QVNHGLPENPUVRS-PKPIPKONSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019933
O=C(NC(c1n2CCCc2nn1)C)[C@H](N)C	PC-id_78972557	223.275	QVNHGLPENPUVRS-ULUSZKPHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019934
O=C(N(Cc1n2CCCc2nn1)C)[C@H](N)C	PC-id_78973317,EMOLS-id_38418951	223.275	FQNLBPVUOWHCQW-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019935
O=C(N(Cc1n2CCCc2nn1)C)C(N)C	EMOLS-id_37961447,PC-id_60964045	223.275	FQNLBPVUOWHCQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019936
O=C(NC(c1n2CCCc2nn1)C)C(N)C	PC-id_43698134	223.275	QVNHGLPENPUVRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019937
O=C(NCc1n2CCCc2nn1)C(N)(C)C	PC-id_83626492	223.275	SLZLGFGVPBBQDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019938
O=C(NCCc1n2CCCc2nn1)C(N)C	PC-id_83626499	223.275	HPVQJLLECSTFKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019939
C/C=CC1=C(C)c2c(S1(=O)=O)cn(c2)C	SCHEMBL18712154	223.291	DAJUWRHYYCNTIH-PLNGDYQASA-N	00000011100000000000000010000000000000000000000000000000	25-01-019940
CCCCCc1cc2c(s1)C(=O)C(=O)N2	PC-id_141156758	223.291	APDJDMYVJRGLBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019941
CCCCCc1scc2c1C(=O)NC2=O	PC-id_68294203,SCHEMBL12497409	223.291	IHQCCMYPHSMFTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019942
CCCCCN1c2sccc2C(=O)C1=O	SCHEMBL4724248,PC-id_69162382	223.291	CWHHLLQPBCQEPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019943
CCCCCN1C(=O)c2c(C1=O)scc2	SCHEMBL14560516,PC-id_58821958	223.291	IMRNVHQSCUIQRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019944
CC(=O)c1c(sc2c1CCC2)NC(=O)C	PC-id_134862415	223.291	SXMRWSZEWALPMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019946
CC(=O)CNC(=O)c1sc2c(c1)CCC2	PC-id_64997058,EMOLS-id_40911979	223.291	OVYMYFQJRQDEQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019947
CCOC(=O)N1CC(=C)c2c1sc(c2)C	PC-id_135013039	223.291	DGVNBCPXQQTKRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019948
OC1CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_39591768,PC-id_63105090	223.291	RNMHRCKWTHFBFV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019949
O=C(c1c(N)sc2c1C(C)OC2)C1CC1	PC-id_67300768,SCHEMBL2162573	223.291	POOSFSRQIQRKAS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-019950
O=C(c1sc2c(c1)CCC2)N1CCCO1	PC-id_104103886,EMOLS-id_102413668	223.291	POAAIPUZAWJKEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019951
OC(=O)C1CCc2c1nc(s2)CC1CC1	EMOLS-id_107539505,PC-id_104287344	223.291	GUHQRVSYTBKCEP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019952
OC(=O)C1CCn2c1ccc2SCC=C	SCHEMBL10816677,PC-id_70450208	223.291	PROOXYCPLIZKAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019953
OC(=O)C=CNCc1sc2c(c1)CCC2	EMOLS-id_313757202	223.291	NLZXWVFBAHAOJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019954
OC(=O)/C=C/NCc1sc2c(c1)CCC2	PC-id_103242955	223.291	NLZXWVFBAHAOJU-SNAWJCMRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019955
s1c2c(CCC2)cc1C(=O)NC1COC1	PC-id_80107980	223.291	FZDANPYMGNMBSV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-019956
s1c2C(=O)N(C(C)(C)C)C(=O)c2cc1C	PC-id_15022419	223.291	LXVOPHSNYZDBLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019957
c1(NC(=O)C2CC2)n(C)nc2CSCc12	EMOLS-id_36793531,STOCK7S-25041,PC-id_60181456,ZINC22_72401339,MCULE-5248622775	223.295	AGPAEGGWPABNAJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019958
c1(NC(=O)C(=C)C)n(C)nc2CSCc12	EMOLS-id_334565552,MCULE-4585906038	223.295	OTWMDXBCVGAUPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019959
c1(NC(=O)C=CC)n(C)nc2CSCc12	MCULE-3254111825	223.295	POFYVTLBZSNIQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019960
Cc1sc2c(n1)CN(C2)C(=O)N1CCC1	EMOLS-id_319055004	223.295	DRLHKCMEVJUDLE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019961
C/C=C/C(=O)Nc1c2CSCc2nn1C	EMOLS-id_334565043	223.295	POFYVTLBZSNIQB-ONEGZZNKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019962
C=CC(=O)NCCc1cn2c(n1)SCC2	ZINC22_863971294,MCULE-7880127223	223.295	NOECTTNUAABTII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019963
n1(CC2CC2)nc2c(CSC2)c1C=NO	MCULE-8099880310,EMOLS-id_324400977	223.295	KCFFXKMEBVDHEI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019964
NC1CC1C(=O)Nc1sc2c(n1)CCC2	PC-id_114994966	223.295	FCNUEYCECWXKHL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019965
O=C(C1CNC1)Nc1sc2c(n1)CCC2	PC-id_65967130,EMOLS-id_41584474	223.295	ITDMZJNXKYWPFR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019966
O=C(C1(N)CC1)Nc1sc2c(n1)CCC2	EMOLS-id_41268545,PC-id_65465368	223.295	LEBRUFLYNVIVII-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019967
O=C(NC1CSC1)[C@@H]1CCc2c[nH]nc12	ZINC22_2325766587	223.295	WNUMPZLEDNNUHV-MRVPVSSYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019968
O=C(NC1CSC1)[C@H]1CCc2c[nH]nc12	ZINC22_2325766588	223.295	WNUMPZLEDNNUHV-QMMMGPOBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-019969
O=C(Nc1sc2c(n1)CCC2)NC1CC1	PC-id_115581863	223.295	KRUGGWTVPWESRT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-019970
s1c2CCCc2nc1NC(=O)NCC=C	PC-id_45503686	223.295	GVGNVHRNTCHHKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019971
o1c2c(c(c1C(C)C)C(N)CCO)CCC2	PC-id_84688643	223.311	LXEVMMPJDRJHRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019972
o1c2c(c(c1C(C)C)C(O)CCN)CCC2	PC-id_84688642	223.311	QDURWPJSOADVKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019973
o1c2c(c(c1C(C)C)C(O)C(N)C)CCC2	PC-id_84688641	223.311	QVLZNILWCRSEGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019974
o1c2c(CCC2)c(c1C(C)C)C(O)CNC	PC-id_84688644	223.311	FMTGRYOKIIKKCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019975
o1c2c(CCC2)c(c1CC)CNCCOC	PC-id_83610207	223.311	QMLKRMNFACNNSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019976
o1c2c(CCC2)c(c1COC)CNC(C)C	PC-id_83610052	223.311	IIPFOJNXNXEXSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019977
o1c2c(CCC2)c(c1COC)CNCCC	PC-id_83610053	223.311	WZPGAMZWINDTHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019978
c12C(C)CCc1n(nc2O)CCCN(C)C	MCULE-9179609739,EMOLS-id_330960123	223.315	CAADIAUWGLEYEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019979
c12C(C)CCc1nn(CCCN(C)C)c2O	MCULE-1687375497,EMOLS-id_331007662	223.315	GSWAXRWIBKPBTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019980
c12CCC(CCN)(O)c1c(C(C)C)nn2C	MCULE-1058574733	223.315	IWYUZOUDFZSHCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019981
CC1CCc2c1c(CO)nn2CCN(C)C	EMOLS-id_331014131,MCULE-9701812196	223.315	MAUBENOKHKHKJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019982
CC1CCc2nn(CCN(C)C)c(CO)c12	EMOLS-id_330994100,MCULE-1142500013	223.315	CQLFGYPZBUESGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019983
CCc1n2CC(Cn2c(=O)c1C(C)(C)C)N	SCHEMBL12188722,PC-id_68214550	223.315	VYDJSXDWMKADGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019984
CCCNc1[nH]nc2c1C(C)(C)OC2(C)C	PC-id_79927211,EMOLS-id_315419058	223.315	VZTOEYAIQAGVJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019985
CC(C(O)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_317939763	223.315	OZEGBCGXOWTDHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019986
CCC(O)Cn1nc2CCC(C)c2c1CN	MCULE-2510027489,EMOLS-id_330999482	223.315	IQYHGWRFNIMWCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019987
CCC(O)Cn1nc(CN)c2C(C)CCc12	MCULE-8793541325,EMOLS-id_331016442	223.315	HMRHAJKNTSUUFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019988
CC(Nc1[nH]nc2c1C(C)(C)OC2(C)C)C	PC-id_79927322,EMOLS-id_315419314	223.315	OJSFSZBRWJBAPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019989
CCNCc1nc2c([nH]1)C(OC2(C)C)(C)C	PC-id_79926985,EMOLS-id_315420082	223.315	UNWZWFZUDSWTAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019990
CCOCCNC(c1nn2c(c1)CCC2)C	EMOLS-id_316901258,MCULE-5019518251	223.315	MKHSOIZRWLGIEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019991
CCOCCN[C@@H](C)c1cc2n(n1)CCC2	ZINC22_414072350,PC-id_164639699	223.315	MKHSOIZRWLGIEN-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-019992
CCOCCN[C@H](C)c1cc2n(n1)CCC2	ZINC22_414072351	223.315	MKHSOIZRWLGIEN-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019993
COCCn1nc2c(c1)CN(C2)C(C)(C)C	SCHEMBL19504437	223.315	JTZUIJUCLPMPIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019994
COCCn1ncc2c1CN(C2)C(C)(C)C	SCHEMBL19498100	223.315	PGLJSBNQQKZBEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019995
COCCNc1n[nH]c2c1C(C)(C)CC2C	PC-id_106664111	223.315	DZCIBFYWMPAAEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019996
COCCNCc1nc2c([nH]1)CCC2(C)C	PC-id_79862543,EMOLS-id_42571517	223.315	ZWEVYRYRCXXPAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019997
NC(c1nc2c([nH]1)COC2C)CC(C)(C)C	PC-id_102970404	223.315	ONLZPZZDKHUKNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-019998
c1(NC(=S)N)sc2c(CCC2)c1C#N	EMOLS-id_30073091,MCULE-2916813175,PC-id_2771020	223.318	LPCDKRXVZSWCEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-019999
CC1(Nc2cc(nn2N1)C(C)(C)C)CCN	PC-id_136442048,SCHEMBL6303973	223.318	YWMLNNZPJWYWES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020000
CCCCCC(C1NNc2cc(nn12)C)N	PC-id_136632173	223.318	RBJKWWRYJGXFKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020001
C1Cc2cc(OC3CCCNC3)sc2C1	EMOLS-id_313872711,MCULE-8234889937	223.334	BRVKWIKXCUBUEU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-020002
C1Cc2cc(OC3CCNCC3)sc2C1	MCULE-1844157669,EMOLS-id_313873223	223.334	ZBIFTXODBLRWMS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-020003
CC1(Cc2c(C1)sc(c2)C(=O)N(C)C)C	PC-id_89552770,SCHEMBL14930339	223.334	KRVSLMQYEHIDBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020004
CC1CC(C)(C)c2sc(N)c(C(=O)C)c12	PC-id_106662935,EMOLS-id_337903147	223.334	KLQUEJMVQNHMCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020005
Cc1sc2c(c1)CN(C2)C(=O)C(C)(C)C	SCHEMBL12883832,PC-id_70793111	223.334	VIYZOINSQRTNEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020006
CC(C)(Cc1c(sc2c1CCC2)N)C=O	PC-id_87069989,SCHEMBL135677	223.334	LKVFJJHXABVBIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020007
CCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38692625,PC-id_61948419	223.334	GPYKJHCEIRYTFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020008
CCC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_37208888,PC-id_60644380	223.334	PYKKUNHSPQXSLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020009
CC(CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_37208928,PC-id_60644226	223.334	VOQQLCAAYWIORK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020010
CC(C(=O)c1c(N)sc2c1C(C)CC2)C	EMOLS-id_41195921,PC-id_65355342	223.334	SYFCMPRSIVGDLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020011
CCCOC(=NC1CCc2c1scc2)C	PC-id_145533443	223.334	KZYHHQDSJGMNIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020012
CC(C(=O)NCc1sc2c(c1)CCC2)C	EMOLS-id_38692623,PC-id_61948418	223.334	FCJUVFBCKFQFLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020013
CCN1Cc2c(C1=O)sc(c2)C(C)(C)C	PC-id_121264020,SCHEMBL17663687	223.334	GZTOIFFVBZTTME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020014
COC1(Cc2cc3CCCc3s2)CNC1	EMOLS-id_313791436,MCULE-9288495889	223.334	OFLGUDORNVCJJE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-020015
Nc1sc2c(c1C(=O)C(C)(C)C)CCC2	PC-id_65355343,SCHEMBL135678,EMOLS-id_41195923	223.334	AWUBWFMXACPODQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020016
NC(c1sc2c(c1)CCC2)C1CCOC1	PC-id_115856440	223.334	JSQWIALVDMIMGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020017
OC1(Cc2cc3CCCc3s2)CCNC1	MCULE-7300054979,EMOLS-id_313791948	223.334	LWOQECKNDBAYDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020018
OCC1CN(C1)Cc1sc2c(c1)CCC2	PC-id_104461217,EMOLS-id_260388839	223.334	YAURKMMPBDMTAA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-020019
O=C(c1sc2c(c1)CCC2)NC(C)(C)C	EMOLS-id_34741075,PC-id_37132999	223.334	GOGJMWQKZJSCOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020020
O=C(C(C)(C)C)N1Cc2c(C1C)ccs2	PC-id_139917141	223.334	MBBGTMTWQNNEJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020021
s1c2c(CCC2)cc1CNC1CCOC1	PC-id_63335593	223.334	ZCFVDTAOBMMSJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020022
s1c2CCCc2cc1C(=O)N(CC)CC	PC-id_60653980	223.334	XEDMIKFNNKWJFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020023
s1c2C(NC(C)(C)C)C(C(=O)c2cc1)C	PC-id_10561062	223.334	NLNBIEPGYHEDMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020024
S=C(N)c1c2CCCc2oc1C(C)(C)C	PC-id_83610501	223.334	QBGHLLGIVVZUAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020025
c1(/C(=NN)/NCCC)cc2c(CCC2)s1	MCULE-5035689952,PC-id_61362093	223.338	XZICXZDFVHXNDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020026
Cc1nc2n(c1CCC1(N)CC1)CCS2	PC-id_105481239	223.338	LZVJTZYBDAQQRL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020027
C/N=C(NC)/NCc1cc2c(s1)CCC2	ZINC22_95958196	223.338	HPZPXBPCHXLWKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020028
n1c2CCCc2sc1CN1CCNCC1	MCULE-1228678365,PC-id_28750250,EMOLS-id_39757296	223.338	JUEMUPAKWKKJAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020029
n1(CC2CCCC2)nc2c(CSC2)c1N	EMOLS-id_324398423,MCULE-1227615313	223.338	MSUGFOBSLGZRDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020030
s1c2CCCc2cc1C(=NC(C)C)NN	PC-id_61360885	223.338	ZACABMWZJDLEFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020031
s1c2CCCc2nc1NC1CCCNC1	PC-id_83839279	223.338	DETBDZDALWIOSV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020032
s1c2CCCc2nc1NC1CCNCC1	PC-id_83839278	223.338	PFXWYZREVKLLTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020033
s1c2CCCc2nc1NCC1CCNC1	PC-id_83839274	223.338	ADEGUMSAYPYCOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020034
s1c2CCCc2nc1NCC1NCCC1	PC-id_83839276	223.338	KGZVKCAXEYRLQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020035
S1c2n(nc(C(C3CCC3)CN)c2)CC1	PC-id_82662354	223.338	KHNJUQJUDSFIKT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-020036
S1CC(NCC1)Cc1n[nH]c2c1CCC2	PC-id_83871235	223.338	NJTWODVEWLWKQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020037
s1c(CNC(=N)NCC)cc2CCCc12	PC-id_62361560,MCULE-4494429432	223.338	YOXYDOLTZXGGGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020038
s1c(N(C2CC2)CCN)nc2c1CCC2	PC-id_83839261	223.338	PECDLXNCXBLTDQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020039
s1c(N(C2CCNC2)C)nc2c1CCC2	PC-id_83839267	223.338	NFZWOKZEMNFCLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020040
CCC1CCc2c1c(CNC(C)C)cs2	PC-id_114748957	223.378	RQRILRNQBRRIAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020041
CCC[C@@]1(C)Cc2c([C@H]1NC)cc(s2)C	SCHEMBL13253515,PC-id_70864341	223.378	MUDFFZVMDOWKQJ-OLZOCXBDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020042
CCC(C(c1sc2c(c1)CCC2)N)CC	PC-id_105013772	223.378	PDXNMEBVGJSHHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020043
CCC(C(c1sc2c(c1)CCC2)NC)C	PC-id_105017257	223.378	LDDYROMNWBKGMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020044
CCCC(c1sc2c(c1)CCC2)NCC	PC-id_114982530	223.378	VZZGZBGWIQHNEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020045
CCCC(C(c1sc2c(c1)CCC2)N)C	PC-id_107893516	223.378	JWGINNYUGQWWPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020046
CCCCC(c1sc2c(c1)CCC2)NC	PC-id_115832562	223.378	XDJNJUBZVHGJRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020047
CC(CCC(c1sc2c(c1)CCC2)N)C	PC-id_115834158	223.378	RNWPWBRKKPSVMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020048
CCC(CC(c1sc2c(c1)CCC2)N)C	PC-id_115846126	223.378	CTJARSGUPXHLQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020049
CCCCCC(c1sc2c(c1)CCC2)N	PC-id_115837082	223.378	AHNLODULBPQNLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020050
CC(C(C)C)NCc1sc2c(c1)CCC2	EMOLS-id_38138539,PC-id_61209131	223.378	JFNZQUPUKYIVAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020051
CCCCCNCc1sc2c(c1)CCC2	EMOLS-id_38138567,PC-id_61208352	223.378	NYEIECSLSVJFQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020052
CCCCNC(c1sc2c(c1)CCC2)C	PC-id_115704845	223.378	JKDABOQNCLASJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020053
CCC(CNCc1sc2c(c1)CCC2)C	PC-id_61207964,EMOLS-id_38138563	223.378	UTTBMQVKCFSLBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020054
CCCNCc1csc2c1C(C)(C)CC2	PC-id_114748866	223.378	GYNYOWSJPYDXKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020055
CCCNCc1csc2c1C(CC)CC2	PC-id_114748885	223.378	QRZMOGLFSCEYSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020056
CCC(NCc1sc2c(c1)CCC2)CC	EMOLS-id_38138531,PC-id_61208153	223.378	ORMFGOAZMKOTBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020057
CC(CNCc1sc2c(c1)CCC2)(C)C	EMOLS-id_38223790,PC-id_61325985	223.378	RWFUHZVUSPQPNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020058
CCCNC(c1sc2c(c1)CCC2)CC	PC-id_114979467	223.378	BDBUXUAXMJCPET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020059
CC(CNC(c1sc2c(c1)CCC2)C)C	PC-id_115704763	223.378	DFWHFEGJORXTNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020060
CCC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115705710	223.378	VXBJKZOFRFANCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020061
CCNCc1csc2c1C(C)CC2(C)C	PC-id_106664691	223.378	AZTIIWSDCLZUIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020062
CC(NCc1csc2c1C(C)(C)CC2)C	PC-id_114748939	223.378	GJQGYWXGYPBJHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020063
CCNC(c1sc2c(c1)CCC2)C(C)C	PC-id_114979037	223.378	SPPBSTYPCNGHMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020064
CNC(c1sc2c(c1)CCC2)CC(C)C	PC-id_115781971	223.378	WDWKERQPVBAYCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020065
CNC(C(C)(C)C)c1sc2c(c1)CCC2	PC-id_115854171	223.378	VIFRHVVPXFAFHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020066
s1c2CC(C(NC)c2cc1C)(CCC)C	PC-id_77932974	223.378	MUDFFZVMDOWKQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020067
s1c(CNCCC(C)C)cc2CCCc12	MCULE-5453861192,PC-id_61209501,EMOLS-id_38138525	223.378	UFPZDDUXCNHAAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020068
s1c(CNC(C)CCC)cc2CCCc12	PC-id_61208940,MCULE-8001083551,EMOLS-id_38138547	223.378	GXRGFJCUCBTRQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020069
SCCCCCCn1cc2c(c1)CCC2	PC-id_101410497	223.378	NYWPDELNHXAJKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020070
s1c2C(O[Si](C)C)C(=Cc2cc1C)C	PC-id_17974304	223.387	HVIQCDWZHKOFQA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020071
Clc1cc2c(s1)C(=O)NS2(=O)=O	PC-id_16639947,SCHEMBL10414386,EMOLS-id_320340931,ZINC22_39296031,MCULE-3621134860	223.657	KGVFHYPEUMEXHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020072
Clc1cc2c(s1)S(=O)(=O)NC2=O	PC-id_10331200,SCHEMBL10542378	223.657	YZPNUABCIIOWBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020073
ClS(=O)(=O)c1sc2CCCc2n1	EMOLS-id_76738763,PC-id_55280191	223.7	PTSXOXODNZZRGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020074
CC1CCc2c1c(CCl)nn2CCC#N	EMOLS-id_331026951,MCULE-1649701236	223.702	HQCXWKOCUAVMKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020075
CC1CCc2nn(CCC#N)c(CCl)c12	MCULE-7963324730,EMOLS-id_331012278	223.702	BMPSUDUYBKSFIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020076
Cl/C(=C(C)/C#N)/c1sc2CCCc2c1	PC-id_61777706	223.722	FPFULWOONPHXAQ-YRNVUSSQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020077
ClC(=C(C)C#N)c1sc2CCCc2c1	PC-id_76922431,EMOLS-id_38580753	223.722	FPFULWOONPHXAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020078
C1C(C(=O)C2=C(SC(=C21)Cl)Cl)F	PC-id_146796953	223.927	RXAZCHSCLPSLIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020079
Brc1noc2c1C(F)(F)CC2	PC-id_105481566	224.003	FAGWCPUCIWQDGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020080
FC1(F)CCn2nc(Br)nc12	EMOLS-id_337710387	224.006	CMGAHSACUULLCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020081
CC(=O)CN1C2=C(CCC2)C(=N1)C(=O)S	PC-id_153600425	224.062	QMTZNRWCXJTILK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020082
C1CN2C(=CN=C2C1=NNC(=O)N)[N+](=O)[O-]	PC-id_154337291	224.066	LWLBVCOCHMFULJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020083
CCOC(=O)C1=CC2=C(S1)C(CC2)(C)C	PC-id_154693241	224.087	MOTFUVAOEYMSOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020084
CCOC(=O)C1CC2=C(SC(=C2C1)C)C	PC-id_154512343	224.087	XUBMAUYIJOWSHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020085
C1CC2=C(C=NN2C1)C(=O)NNC(=O)NN	PC-id_155182788	224.102	BXBLWDCWDFABMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020086
CC1C2=C(CN1C(=O)OC(C)(C)C)ON=C2	PC-id_162361658,EMOLS-id_337761838	224.116	JGEQQXIHWPQTIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020087
O(C(=c1[nH]nc2c1=NN=C2[N+](=O)[O-])[O-])CC	PC-id_51378480	224.154	VTHGXVPYTRFCFR-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-020088
c1(N(=O)=O)nn2c(OC(COCC#C)C2)n1	MCULE-1561508546,PC-id_2843271,EMOLS-id_24832607	224.174	ZFDKZDRIEIOREW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020089
C#CCOC[C@H]1Cn2nc([N+](=O)[O-])nc2O1	PC-id_40454556,ZINC22_3110225	224.174	ZFDKZDRIEIOREW-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020090
C#CCOC[C@@H]1Cn2nc([N+](=O)[O-])nc2O1	PC-id_40454557,ZINC22_3110226	224.174	ZFDKZDRIEIOREW-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020091
CCOC(=O)c1c2NC(=O)C(=O)n2nc1N	PC-id_136316952	224.174	DCVFTRFYOLHNFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020092
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)CN=[N+]=[N-]	SCHEMBL19518625	224.177	RYBRPXCQKINGGP-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020093
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CN=[N+]=[N-]	SCHEMBL19518626	224.177	RYBRPXCQKINGGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020094
Oc1n(nc2c1CSC2)CC(F)(F)F	EMOLS-id_114759541	224.203	CUFPMJRPGQLMMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020095
CSC1NNc2cc(nn12)C(F)(F)F	PC-id_136660109	224.207	OBWVSWVWXSIOPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020096
o1c2c(CCC2)c(c1C(=O)OC)C(=O)OC	PC-id_11160416	224.21	DCCAONKGXYGEJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020097
OC(=O)c1oc(c2c1CC(C2)(C)C)C(=O)O	PC-id_122456659,SCHEMBL17980049	224.21	WDHJEWDFYYKYAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020098
c12C(=O)OC(C)(C)n1cnc2C(=O)OCC	PC-id_565110,ZINC22_275716,MCULE-3104540533,CHEMBL1299432,EMOLS-id_1353312,ChEMBL-DNDi_CHEMBL1299432,BAS-01861831,CoCoCo_219755,STOCK2S-55255	224.213	AHGHATWKVZDPSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020099
c1(C(=O)O)c2C(C)CCc2n(CC(=O)O)n1	EMOLS-id_330988794,MCULE-1137854597	224.213	ANPNDLFLYCJKLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020100
c1(C(=O)OC)nn2c(CCC2)c1C(=O)OC	EMOLS-id_49836569,MCULE-8657796676,SPECS-id_AT-687/PE33599,PC-id_12841165,SPECS-id_AT-687/NB05065,ZINC22_98212420	224.213	JCHDXWDBZTYGBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020101
CC1CCc2nn(CC(=O)O)c(C(=O)O)c12	EMOLS-id_330973115,MCULE-6151060497	224.213	HRUHHIPFWZRFMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020102
CCOC(=O)C1Cn2c(C1)c(nc2)C(=O)O	PC-id_112485134	224.213	RENROJOLGNSPIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020103
O(Cc1c2n(CCC2=O)cc1[N+](=O)[O-])CC	PC-id_85825169	224.213	NCZRUQWDLVVAIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020104
OC(=O)CC(C(=O)O)c1n[nH]c2CCCc12	MCULE-1306831217,EMOLS-id_313868625	224.213	QGXLQAGZVCSVSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020105
O(C(=O)N1CCc2n(ccc12)C(=O)OC)C	PC-id_85557763	224.213	LZMDDECENANNKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020106
c12CN(Cc1nn(C)c2C=NO)C(=O)OC	MCULE-2114554717,EMOLS-id_324356716	224.217	ZPXJCUFYJZKMJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020107
CC(=O)NCc1nnc2CC(Cn12)C(=O)O	EMOLS-id_331177716	224.217	LSRZLXOYLUQOBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020108
COC(=O)c1c(NC(=O)N)nc2n1CCC2	EMOLS-id_319292892	224.217	AVHMNOVIMQOEEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020109
O=C(NCc1n2CCCc2nn1)CC(=O)O	PC-id_83626495	224.217	FCVXKQUWMNXOTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020110
O=C(NC(c1n2CCCc2nn1)C)C(=O)O	PC-id_83626504	224.217	BLXBMDXQGVZWAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020111
O=C(NCCc1n2CCCc2nn1)C(=O)O	PC-id_83626502	224.217	XTLUOYXAGBUMAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020112
O=C(NCC(=O)O)c1n2CCCc2nc1N	PC-id_23909467,CoCoCo_6206017	224.217	CVFDKOXHNDPNNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020113
O=C1CSc2c1cc(s2)C(F)(F)F	PC-id_102338154	224.223	VBBXVRVLEMQWLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020114
COC(=O)/C(=C
/OC(=O)c2c1scc2)/C	PC-id_102185066	224.233	RLSSPOPMWMTBSV-FNORWQNLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020115
O=CC1Cc2c(C1=O)sc(n2)NC(=O)C	PC-id_57637036,SCHEMBL11942157	224.236	XWFFBPLMQGJUDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020116
O/C=C
/Cc2c(C1=O)sc(n2)NC(=O)C	SCHEMBL13870440,PC-id_57637068	224.236	PLJMXGWAOIVUQG-HYXAFXHYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020117
s1c2c(nc1NC(=O)C)CC(=CO)C2=O	PC-id_76571825	224.236	PLJMXGWAOIVUQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020118
OCCN(C1=Cc2c([N]1)nc([nH]2)N)CCO	SCHEMBL6027968	224.24	WQZMTMZDQURIDG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020119
S=C1n2nc(c(c2N=N1)C(=O)OCC)C	PC-id_77115943	224.24	XQGBRHUNVAQFND-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020120
o1c2c(CCC2)c(c1COC)CCC(=O)O	PC-id_83610111	224.253	GGLYABBDVYRORJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020121
o1c2c(C(O)(CC2)CC(=O)O)cc1C(C)C	PC-id_83911039	224.253	FBPVJWVKYTWDTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020122
o1c2C(O)(CCc2cc1C(C)C)CC(=O)O	PC-id_83911037	224.253	VKQJNXGUGRWVMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020123
o1c(C(C)(C)C)c(c2c1COC2)CC(=O)O	PC-id_84789668	224.253	YPXMOSYALBJRQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020124
O(C1(CCc2occc12)C(=O)O)C(C)(C)C	PC-id_84689088	224.253	NLKOMGPGNDPKIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020125
c1(C(=O)O)c2C(C)CCc2n(CCCO)n1	EMOLS-id_330987515,MCULE-1137080456	224.256	DIHSRRZUBKAKLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020126
c1(C(=O)O)c2C(C)CCc2nn1CCCO	MCULE-7670667678,EMOLS-id_330971836	224.256	KLUFYLGIFPXZEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020127
c1(C(=O)OC)c2COCc2nn1CC(C)C	MCULE-5465282265,EMOLS-id_324399702	224.256	BANMAMNYOOYLOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020128
c1(C(=O)OCC)c2COCc2nn1C(C)C	EMOLS-id_324401750,MCULE-9758092608	224.256	ZYTDAKDGHYMDFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020129
c1(C(=O)OC(C)(C)C)c2COCc2nn1C	MCULE-3198583641,EMOLS-id_324399703	224.256	FQHQLHORBFXKGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020130
CC1(C)OC(c2c1nc[nH]2)CC1OCCO1	PC-id_142321576	224.256	SFIPDWGMOPELPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020131
Cc1nc2c(o1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL15846182,PC-id_86635442	224.256	SEFSSYLPDFMPEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020132
CC(C)(C(O)C(=O)O)c1n[nH]c2CCCc12	MCULE-1130965901,EMOLS-id_313883227	224.256	XJNYDYOYHFEDRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020133
CCNC(=O)OCc1c2C(CCn2cc1)O	PC-id_91991896	224.256	LSERZUZDXACYGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020134
CCOC(=O)c1n[nH]c2c1CC(C2CO)C	PC-id_143252421	224.256	JOILXCZOVDJACZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020135
S1c2n(c(CN3CCNCC3)cn2)CC1	PC-id_82617804	224.326	FRADWFFRQUJQHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020300
CCOC(=O)c1n[nH]c2c1[C@@H](C)[C@H](C2O)C	SCHEMBL20079094,PC-id_134443898	224.256	STKMYDALTIFULN-HIJFXMFQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020136
CCOC(=O)Cn1nc2CCC(C)c2c1O	MCULE-2776091678,EMOLS-id_331006894	224.256	HEEQRTHLQNUTJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020137
CCOC(=O)Cn1nc(O)c2C(C)CCc12	MCULE-1290381832,EMOLS-id_330959355	224.256	QLXSYCHBSWAESH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020138
COCCc1c(CC(=O)O)cn2c1NCC2	PC-id_98771965	224.256	GCDMAUYXEYBMAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020139
COC(=O)Cn1nc2CCC(C)c2c1CO	EMOLS-id_330993844,MCULE-3688400015	224.256	AVZREWNTKZTFBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020140
COC(=O)Cn1nc(CO)c2C(C)CCc12	EMOLS-id_331013875,MCULE-8179264664	224.256	PMPIMCFNDVWSFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020141
o1nc(c2C(N)(CCc12)C(=O)OC)C(C)C	PC-id_83911046	224.256	QPPHEJTUGNOBEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020142
OC1(c2c(nn(c2C(C)C)C)CC1)C(=O)O	PC-id_83911044	224.256	WHBLQOAIHXTNPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020143
OC1(c2c(n(nc2C(C)C)C)CC1)C(=O)O	PC-id_83911045	224.256	JHEBGZDDLNWAOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020144
OC(=O)C1CCc2c1[nH]n(c2=O)C(C)(C)C	PC-id_105481809	224.256	AXUCOBBYMLHVDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020145
s1c2CCCc2cc1C(=O)NCC(=O)[O-]	PC-id_28148464	224.256	DZFKDPXSJIPOQX-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-020146
s1c2c(CCC2)c(c1NC(=O)C)C(=O)[O-]	PC-id_7707980	224.256	UIJDFPAGHBJLRS-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-020147
N=C1CCn2c1ccc2C(=O)c1ccccc1	ZINC22_67665152,PC-id_95198747	224.258	WSOQYLMWXICZSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020148
c12CN(Cc1[nH]nc2N)C(=O)OC(C)(C)C	EMOLS-id_2733755,EMOLS-id_266611159,SCHEMBL2915130,EMOLS-id_317761760,MCULE-3571745995,PC-id_11333571,ZINC22_9194	224.26	BEVRTOCHMXNPLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020149
c12CN(Cc1nn(CC)c2CN)C(=O)OC	MCULE-5596896610,EMOLS-id_324347502	224.26	WEMOUIMKPBABJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020150
c12CN(Cc1nn(CC)c2N)C(=O)OCC	MCULE-8546085750,EMOLS-id_324339813	224.26	JDYONHRWGGBWLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020151
c12CN(Cc1nn(CCC)c2N)C(=O)OC	MCULE-5373218626,EMOLS-id_324337765	224.26	XTDLOBFGGARJPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020152
CC(C)(C)OC(=O)N1CCn2ncc(N)c12	EMOLS-id_323993489,MCULE-2616615015	224.26	OOQBSZOZVASASX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020153
CC(C)(C)OC(=O)N1CCn2nc(N)cc12	PC-id_58441120,EMOLS-id_46304890,MCULE-9313998621,ZINC22_95803947,SCHEMBL172068	224.26	ADIJNFTZGYFOQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020154
CC(C)NC(=O)OCc1nnn2c1CCC2	ZINC22_1617331,NSC623689,PC-id_360961,CoCoCo_5680379	224.26	UIZSAUACPJVYFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020155
CCn1c(nc2c1CN(C2)O)C(=O)N(C)C	PC-id_118613851,SCHEMBL17380107	224.26	XQBYOEXVGPIDCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020156
CCNC(=O)c1nc2c(n1CC)CN(C2)O	PC-id_118613840,SCHEMBL17380096	224.26	CLPJNWUHMPUFIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020157
CCOC(=O)n1nc2c(c1N)CNC2(C)C	SCHEMBL1984078,PC-id_58015624	224.26	VHISFDJZWGNHGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020158
CCOC(=O)n1nc(N)c2c1C(C)(C)NC2	EMOLS-id_110118536,ZINC22_115987687,SCHEMBL5242377,PC-id_67008246,MCULE-6388715207	224.26	FFJZALKNJUHSET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020159
CN(C)CCNC(=O)c1nn2CCOc2c1	PC-id_91959854	224.26	URFRNXGMVOWLQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020160
COCCN1Cc2c(C1)[nH]nc2C(=O)NC	PC-id_142498941	224.26	YOEDARRNMJJKGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020161
COCC(=O)NC(c1nnc2n1CCC2)C	PC-id_60763985,EMOLS-id_314400288	224.26	UDWYVJWDTMYEAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020162
CON(C(=O)c1nc2c(n1CC)CNC2)C	PC-id_118614639,SCHEMBL17380920	224.26	LJTHONLNDOEHFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020163
O(C(C)(C)C)C(=O)N1CCc2[nH]nc(N)c12	PC-id_82391845	224.26	WVHVQBFFNVLGON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020164
O(CC(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_60763974	224.26	STPXZJKCHLJIMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020165
O=C(N(C)C)NOCc1nn2c(c1)CCC2	MCULE-9297114381,EMOLS-id_320068667	224.26	IZNWRNZGRIDNQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020166
OC(=O)C(c1nnn2c1N(CC2)C)C(C)C	PC-id_83891787	224.26	XSAXTLCPBMWEFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020167
O=C(OC(C)(C)C)NC1CCn2c1cnn2	PC-id_101573670	224.26	QOAYCMWPRFGBHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020168
OC(=O)C(NC(c1n2CCCc2nn1)C)C	PC-id_66172728	224.26	OSCAGEFBBJRCNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020169
O(C(=O)N1C(c2n(nc(N)c2C1)C)(C)C)C	PC-id_83849968	224.26	OXVPLSXGCYHQAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020170
O(C(=O)N1C(c2nn(c(N)c2C1)C)(C)C)C	PC-id_83849969	224.26	CRYPOMWILJWBEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020171
O(C(=O)N(Cc1n2CCCc2nn1)C)CC	PC-id_60713809	224.26	FLTVBJSBSHTJFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020172
O(C(=O)NC(c1n2CCCc2nn1)C)CC	PC-id_62071094	224.26	QIDJDDCLCCTGSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020173
Cc1nn2c(n1)/c(=C/c1ccccc1)/c(n2)C	SCHEMBL13325625	224.261	YJRYNHQFSMKZBA-XYOKQWHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-020174
n12nc(c(=Cc3ccccc3)c1nc(n2)C)C	PC-id_59055246	224.261	YJRYNHQFSMKZBA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-020175
n12nnc(c1CCC2)C#Cc1c(N)cccc1	PC-id_71747296	224.261	UGIWNOGECGHESX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020176
N#Cc1ccc(cc1)CN1CCc2n1ccn2	SCHEMBL18951980	224.261	XPQYVEWIJIGSEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020177
N#Cc1ccc(cc1)CN1CCn2c1ccn2	SCHEMBL18939092	224.261	FUUMMCQOZHQOCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020178
CCn1c(nc2c1CN(C2)O)C(=N)N(N)C	PC-id_144979399	224.263	QANVDNYGCVYJTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020179
CN/N=C(/c1nc2c(n1CC)CN(C2)O)N	PC-id_144979313	224.263	SWYAKVYHXJKDOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020180
CC(=O)c1nn(c2c1C(C)(F)CC2)C(C)C	PC-id_105482065	224.275	FZOUFSKHSODVLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020181
S1c2n(nc(CN3CCNCC3)c2)CC1	PC-id_82662462	224.326	OSDZZTNGVMKHAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020301
CNC(=O)c1c(F)n2c(c1C)CC(C2)(C)C	PC-id_117810118,SCHEMBL16384225	224.275	IMCRXBDOVQQQLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020182
c1(C(=O)OC)sc(C(=O)C)c2CCCc12	ZINC22_148859983,EMOLS-id_71008327,SCHEMBL13857920,PC-id_71014110,MCULE-6101431558	224.276	HUYIGIFSLALLPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020183
CC[C@H]1[C@@H](C(=O)c2c1ccs2)C(=O)OC	PC-id_135038355	224.276	BEMADADXXSWCTA-SVRRBLITSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020184
CCOC(=O)C1(C)Cc2c(C1=O)scc2	PC-id_70943324,SCHEMBL13575457	224.276	BGIGVVIBIVSASQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020185
COC(=O)CC(=O)c1cc2CCCc2s1	MCULE-7064701103,PC-id_82662435,EMOLS-id_313850810	224.276	KABJOSSVVHUHAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020186
O=C(Cc1scc2c1OCO2)CC1CC1	SCHEMBL6542728,PC-id_22649619	224.276	OLLNNXHRSGTVNX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020187
C1c2c(C(=CCCCC(=O)O)S1)nc[nH]2	SCHEMBL5852704,PC-id_87901685	224.279	CLNCAVBQNDFOPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020188
c1(C(=O)O)c2CSCc2nn1CC1CC1	EMOLS-id_324398937,MCULE-9111893296	224.279	QMXXPHHDNLSFET-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020189
c1(NC(=O)C)sc2c(CCC2)c1C(=O)N	TIMTEC526799,CoCoCo_346151,SCHEMBL8289415,SPECS-id_AN-153/J116043,PC-id_3153446,MCULE-5859202830,ZINC22_4569318,CHEMBL1340459,ASN-28260209,SPECS-id_AE-641/04217015,EMOLS-id_1477636	224.279	WLIOVNAQJQWQTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020190
CCCC(=S1C=Cc2c1[nH]cn2)C(=O)O	PC-id_141901504	224.279	NIQHLVQPUJVSQT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020191
CCC(=O)NCc1c2CNC(=O)c2cs1	SCHEMBL20329574,PC-id_135178876	224.279	MVBACOJONFXVPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020192
CC(=O)CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357839,PC-id_61512112	224.279	BGOYDKYGHLVROI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020193
NC(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_37263803,PC-id_9295725	224.279	SNOXKFUFDZXIDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020194
O=C(C1(O)CC1)Nc1sc2c(n1)CCC2	EMOLS-id_318927511	224.279	PQKXPARMGRIEGV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020195
OC(=O)C1CCc2c1nc(s2)NC1CC1	EMOLS-id_107657932,PC-id_104287452	224.279	NHISIQMVXBXUNF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020196
OC(=O)CCCC=c1scc2c1=NCN2	SCHEMBL11032307	224.279	QZGGHCOZFAITLP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020197
s1c2CCCc2cc1C(=O)NNC(=O)C	PC-id_36040374	224.279	OSGRKCRXLSUUQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020198
s1c2C(=O)N(C(C)(C)C)C(=O)c2nc1C	PC-id_15672433	224.279	XOAYROGATFENBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020199
S1c2n(nc(C(C3CC3)C(=O)O)c2)CC1	PC-id_82662437	224.279	OBMHODFPOPRSSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020200
S1Cc2c(onc2C1)NC(=O)C1CCC1	PC-id_49720117	224.279	KVDPNZSMRPBVIJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-020201
C1Cc2c(C1)sc(c2)C(=O)NN=C(N)N	PC-id_137718855	224.283	YKGPRLHOBDWLJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020202
c1(C(=S)N)c(N)c(c2CCCn12)C(=O)N	CoCoCo_731059,SPECS-id_AT-225/JK10007,ZINC22_4124422,PC-id_5113491,EMOLS-id_602532,ChEMBL-DNDi_CHEMBL6179-0086,CK3026282,MCULE-7159371736	224.283	IDJKQCXGKIUNDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020203
S1CCn2c(NC(=O)C3CCC3)nnc12	PC-id_73292725	224.283	ZMAKLNGTHCMQJG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-020204
c12n(c(c(n1)C)/C=N/N=C(N)N)CCS2	CHEMBL1193046,PC-id_10376342	224.286	GFQHVONPDIPLIM-NYYWCZLTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020205
S1CCn2c1nc(c2C=NN=C(N)N)C	PC-id_50878383	224.286	GFQHVONPDIPLIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020206
CC(C1Oc2c(N1)nc(o2)C(C)(C)C)(C)C	PC-id_89447153,SCHEMBL14788292	224.299	RKSCMMFSWPWPNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020207
CCCCCCn1c(c2CCCn2c1=O)O	PC-id_90953678	224.299	TYIDHYNRCOHTER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020208
CCC(O)Cn1nc2CCC(C)c2c1CO	EMOLS-id_330995380,MCULE-9410528656	224.299	XKYDJDCGHOMBAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020209
CCC(O)Cn1nc(CO)c2C(C)CCc12	MCULE-1036457437,EMOLS-id_331011316	224.299	CWRSAIHGMOIQPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020210
CCNCc1noc2c1C(C)(C)OC2(C)C	PC-id_80462942,EMOLS-id_314314837	224.299	HGQCXFWGCFWOTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020211
CN(C)CCCn1c(c2CCCc2c1O)O	PC-id_91382766	224.299	DHDKKPGEDQFWIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020212
COCCNCc1noc2c1CCC2CC	PC-id_116177556	224.299	GBFCVKWMNCFTRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020213
COCCNCc1noc2c1CCC2(C)C	PC-id_80462550,EMOLS-id_314311818	224.299	FFILNGPCXULMTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020214
CCCC(CNC1CC(n2c1ncn2)C)O	EMOLS-id_319615224	224.303	XENFXWHLBMGOMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020215
CCC(CNC1CC(n2c1ncn2)C)(O)C	EMOLS-id_319822908	224.303	ARSLCZQLSSIASO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020216
CCC(CN(Cc1nnc2n1CCC2)C)O	MCULE-1417278701,EMOLS-id_48253987,PC-id_75378129	224.303	GJAGYHMSZQOZKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020217
CC(CCO)CNC1CC(n2c1ncn2)C	EMOLS-id_279083398	224.303	XRKQHSFTMIHORU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020218
CC[C@H](O)CN(C)Cc1nnc2n1CCC2	ZINC22_85954490,PC-id_97046564	224.303	GJAGYHMSZQOZKP-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020219
CC[C@@H](O)CN(C)Cc1nnc2n1CCC2	ZINC22_85954493,PC-id_97046565	224.303	GJAGYHMSZQOZKP-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020220
COCCCCNC1CC(n2c1ncn2)C	EMOLS-id_279081854	224.303	SSZXEBKUGCIPGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020221
OCCn1nc2c(c1N)CN(C2)C(C)(C)C	PC-id_105482298	224.303	OPKKSCPJYBHGOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020222
OCCn1nc(c2c1CN(C2)C(C)(C)C)N	PC-id_105482300	224.303	PUXKHBWYBJYGGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020223
O(CC(NC(c1n2CCCc2nn1)C)C)C	PC-id_62535280	224.303	DKFXRZJVBAQGIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020224
CC1(C)Cc2c(C1)sc(C(=O)OCC)c2	SCHEMBL1393397,EMOLS-id_64088332,MCULE-2115286904,PC-id_58043720	224.319	IFQCQFFWUWYXSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020225
CCC1Cc2c(C1)cc(s2)C(C(=O)O)C	PC-id_21317981,SCHEMBL11531433	224.319	SJEPOHRBIPOLCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020226
CCc1cc2c(s1)C(CC2)CCC(=O)O	SCHEMBL10745120,PC-id_20213634	224.319	NNSLWZVFCAQZFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020227
CC(Cc1cc2c(s1)C(CC2)C(=O)O)C	PC-id_13588840,SCHEMBL10742143	224.319	GIGONMGLFLHWHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020228
CC(Cc1cc2c(s1)CCC2C(=O)O)C	PC-id_20213616,SCHEMBL10742528	224.319	MCNDHRIPLZCBCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020229
CC(C)(Cc1cc2CCCc2s1)C(=O)O	EMOLS-id_313838773,MCULE-3216582071	224.319	LNUVRPARLWFNER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020230
CC(CCc1cc2CCCc2s1)C(=O)O	EMOLS-id_313875528,MCULE-5465676967	224.319	NKRITESKXOIVRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020231
CCCCCCC=C1Oc2c(O1)csc2	PC-id_141326697	224.319	WKNDHQPTTOLAKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020232
CC(C)C(C(=O)O)c1cc2CCCc2s1	MCULE-9434247978,EMOLS-id_313812674	224.319	LFNMEDBUHGZQMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020233
CC(C)(CC(=O)O)c1cc2CCCc2s1	MCULE-9798944691,EMOLS-id_314041790	224.319	UZYDOVJZFPMASY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020234
CCCCOC(=O)c1sc2c(c1)CCC2	PC-id_112724670	224.319	HBQBPRZBFYAFQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020235
CCCOCC(=O)c1sc2c(c1)CCC2	PC-id_115783236	224.319	DSLFNHIDVPPBOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020236
CC(OCC(=O)c1sc2c(c1)CCC2)C	PC-id_115785255	224.319	RCKPYXTTZRPUQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020237
CCOC(=O)c1csc2c1C(C)(C)CC2	PC-id_114748127	224.319	YKUSNFVYLFDFNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020238
CCOC(=O)c1csc2c1C(CC)CC2	PC-id_114748140	224.319	SCRUZPDOANGIRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020239
COCCCC(=O)c1sc2c(c1)CCC2	PC-id_115815603	224.319	QZHXQLATKDKCPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020240
COC(=O)c1csc2c1C(C)CC2(C)C	PC-id_106664682	224.319	KUGHAOMHRWSCSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020241
O=C(c1csc2c1CCC2)OC(C)(C)C	PC-id_114748269	224.319	XDVQZNISGDGCRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020242
OC(c1sc2c(c1)CCC2)C1CCOC1	PC-id_115798091	224.319	RQADNRLDKBEZDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020243
OC(=O)Cc1sc2c(c1)CC(C2)C(C)C	PC-id_21317974,SCHEMBL11531583	224.319	KXWSVPXIDNFPAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020244
OC(=O)Cc1sc2c(c1)C[C@@H](C2)C(C)C	PC-id_70626053,SCHEMBL11644618	224.319	KXWSVPXIDNFPAP-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020245
s1c2C(CCc2cc1C(C)C)CC(=O)O	PC-id_83911066	224.319	XRYFHNZAIAZTHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020246
s1c2c(CCC2)c(c1CC(C)C(=O)O)C	PC-id_82617793	224.319	VUZRNQYGQZNHHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020247
s1c2c(CCC2)c(c1C(CC(=O)O)C)C	PC-id_82617794	224.319	LHIMMKZAGOCVLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020248
s1c2CCCc2cc1C(=O)OC(C)(C)C	PC-id_63897362	224.319	COSDWJFFXNISRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020249
s1c2c(C(CC2)CC(=O)O)cc1C(C)C	PC-id_83911068	224.319	WXDCPWQHBSOCAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020250
s1c(c2CCCc2c1C(=O)O)C(C)(C)C	PC-id_82617798	224.319	GTMWJZRJZVFYRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020251
c1(NC(=O)CCCC)sc2c(CCC2)n1	MCULE-1336487182,PC-id_33039661,EMOLS-id_181471661	224.323	PHLFSBCTAHPUIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020252
c1(NC(=O)CC(C)C)sc2c(CCC2)n1	MCULE-5139246533,PC-id_4381572,EMOLS-id_181471873	224.323	MKQNOQNYOMGGEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020253
c1(NC(=O)CCCC)snc2CCCc12	PC-id_54774413,MCULE-5395885260	224.323	JWCGMSYRLVXQSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020254
c1(sc2c(CCC2)n1)NC(=O)C(C)(C)C	PC-id_3494763,EMOLS-id_37277489,MCULE-9148404196	224.323	BOINLUNTXVSEPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020255
c1(snc2CCCc12)NC(=O)C(C)(C)C	MCULE-5300759611,PC-id_54774424	224.323	DTVOUBRTTIXUBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020256
CC1CC(c2c1c(C(=O)N)c(s2)N)(C)C	PC-id_106662923	224.323	SPUCIHKUYFCWKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020257
CCC1CCc2c1c(C(=O)NC)c(s2)N	PC-id_116176028	224.323	MELNFXXYJXJWJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020258
CCC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_4449488,MCULE-9806194398,EMOLS-id_36627390	224.323	OIQYKQZAEZVCCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020259
CC[C@H](C)C(=O)Nc1nc2c(s1)CCC2	PC-id_51422211,ZINC22_6394451	224.323	OIQYKQZAEZVCCS-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020260
CC[C@@H](C)C(=O)Nc1nc2c(s1)CCC2	ZINC22_6390782,PC-id_51422159	224.323	OIQYKQZAEZVCCS-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020261
CCCNC(=O)c1c(N)sc2c1CCC2	EMOLS-id_37577270,PC-id_43367227	224.323	YQQAUWIEXOSBLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020262
CC(CNC(=O)c1sc2c(c1)CCC2)N	PC-id_63732930,EMOLS-id_39996007	224.323	ITMITLYPVFJIEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020263
CC(C(=O)NCc1sc2c(c1)CCC2)N	PC-id_61208596,EMOLS-id_38138789	224.323	JHKNRVOCOKSKRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020264
CCC(=O)NCCc1nc2CCCc2s1	MCULE-9128783012,EMOLS-id_181135663,PC-id_110459281	224.323	VXWDMCOVUKVVKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020265
CC(C(=O)N)NCc1sc2c(c1)CCC2	EMOLS-id_38138685,PC-id_61207056	224.323	NYWLBKRANFSLBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020266
C[C@H](C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_38419430,PC-id_78973539	224.323	JHKNRVOCOKSKRX-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020267
C[C@@H](C(=O)NCc1sc2c(c1)CCC2)N	PC-id_61208780,EMOLS-id_38138793	224.323	JHKNRVOCOKSKRX-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020268
CC(NC(=O)c1c(N)sc2c1CCC2)C	EMOLS-id_37577308,PC-id_43367251	224.323	KTHSAPFEPFGCDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020269
CCNC(=O)c1c(N)sc2c1C(C)CC2	EMOLS-id_40959154,PC-id_65046379	224.323	ZVEHDDBTDOOCLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020270
CNCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_39261042,PC-id_62656996	224.323	RTXHROLEAVWOIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020271
CNCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38138791,PC-id_61208597	224.323	JNHWZJLIVDSWQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020272
CN(C(=O)c1c(N)sc2c1C(C)CC2)C	PC-id_65046541,EMOLS-id_40959176	224.323	AJQRLPYMMVFDGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020273
CNC(=O)c1c(N)sc2c1C(C)(C)CC2	EMOLS-id_42566873,PC-id_79865184	224.323	TXKNGQYITFKYEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020274
CNC(=O)CNCc1sc2c(c1)CCC2	PC-id_61208755,EMOLS-id_38138707	224.323	IOPGCYQMRDEDSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020275
n1(CC2CCC2)c(CO)c2c(CSC2)n1	MCULE-5518209779,EMOLS-id_324397660	224.323	FKROTEKGFFROGD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-020276
NCCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_37394005,MCULE-2270986745,PC-id_24694014	224.323	UAYICJPFIJMUHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020277
NCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38138785,PC-id_61208773	224.323	OHEMIQFZKJNZTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020278
NC[C@H](NC(=O)c1sc2c(c1)CCC2)C	PC-id_104872897	224.323	VPUZUTJFRFAIIC-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020279
NC[C@@H](NC(=O)c1sc2c(c1)CCC2)C	PC-id_120507396	224.323	VPUZUTJFRFAIIC-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020280
NCCN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_39284080,MCULE-1682597767,PC-id_62685874	224.323	FGZAERAIGDTCJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020281
NCC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_39997991,PC-id_63731528	224.323	VPUZUTJFRFAIIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020282
NC(=O)c1cc2n(c1)C(SC2(C)C)(C)C	PC-id_110187012	224.323	SJHQLNKKVLDOIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020283
NC(=O)CCNCc1sc2c(c1)CCC2	EMOLS-id_38138695,PC-id_61208365	224.323	QRDIOPBHYHZLKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020284
O1CCC(C1)NCc1sc2c(n1)CCC2	PC-id_115888045	224.323	XJDGMEVUXOUCMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020285
O=C1NC(c2c1nc(s2)C(C)(C)C)(C)C	SCHEMBL19573545	224.323	YWCGISMDTZAZGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020286
O=C1NC(c2c1sc(n2)C(C)(C)C)(C)C	SCHEMBL19573508	224.323	QCFKDQHPJRSINB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020287
OCC1(NCc2sc3c(n2)CCC3)CC1	PC-id_115888054	224.323	VNXFQMFTMSNQBA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020288
O[C@@H]1CCN(C1)Cc1sc2c(n1)CCC2	PC-id_103917981	224.323	NNUVFSMXEMUEBO-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020289
O[C@H]1CCN(C1)Cc1sc2c(n1)CCC2	PC-id_103917993	224.323	NNUVFSMXEMUEBO-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020290
s1c2CCC(NC(=O)CCCN)c2cc1	PC-id_83626204	224.323	ZGVOBPBUZDTMRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020291
s1c2CCC(NC(=O)CCNC)c2cc1	PC-id_83626206	224.323	XRXNCASVBYDGKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020292
s1c2c(C(NC(=O)C(N)(C)C)CC2)cc1	PC-id_83626202	224.323	IVCWOQCUHNOZMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020293
S1CC(NCC1)Cc1onc2c1CCC2	PC-id_83871228	224.323	MAEQRZGFCBVVCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020294
s1c(nc2c1CCC2)C(N)C1CCOC1	PC-id_61332666	224.323	CDQIIDRTJDOMKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020295
s1c(nc2c1CCC2)C(N)C1OCCC1	PC-id_82837658	224.323	WBLXUSLIQWXLCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020296
s1c(nc2c1CCC2)C(O)C1CCNC1	PC-id_84735605	224.323	SQHHBXWRCCUUDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020297
s1c(nc2c1CCC2)C(O)C1NCCC1	PC-id_84735604	224.323	HTDPLENPTWUPOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020298
S1c2n(CC1)cc(n2)CN1CCNCC1	PC-id_82662461	224.326	CIXZWDPWYTVZNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020299
S1CC(NCC1)Cc1n2CCCc2nn1	PC-id_66443277	224.326	YEBBVSTUEXUKJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020302
S1C(Sc2sc(=O)sc12)OC	PC-id_11020553	224.344	KNPBFUNVZSKFHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020303
S1(=O)(=O)Cc2sc(=S)sc2C1	PC-id_85730698	224.344	YNLXQZDDVANMAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020304
CCc1c2c(c([nH]1)S)C(=NC2=S)CC	PC-id_136218153	224.346	NVMJYIQZUOFCNR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020305
CCC(C(c1sc2c(c1)CCC2)O)CC	PC-id_115821776	224.362	LERULIHDVXGRFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020306
CCCC(C(c1sc2c(c1)CCC2)O)C	PC-id_107894672	224.362	CCFMTVUEGZQBMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020307
CC(CCC(c1sc2c(c1)CCC2)O)C	PC-id_115783630	224.362	SMPYPKIYAFOJPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020308
CCC(CC(c1sc2c(c1)CCC2)O)C	PC-id_115789232	224.362	BKEPYOXTUXNGBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020309
CCCCCC(c1sc2c(c1)CCC2)O	PC-id_115784318	224.362	FDARYOJMHQAONY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020310
OC1c2cc(sc2CC1(C)C)C(C)(C)C	PC-id_58540091,SCHEMBL12024873	224.362	DVYSRKVSQFTFBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020311
OC1CCc2c1sc(c2C)CC(C)(C)C	SCHEMBL21235801,PC-id_139381202	224.362	CVKOBXQUTLZIAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020312
c1(C(C)(C)NC(C)C)sc2c(CCC2)n1	PC-id_61334640,MCULE-9327621004,EMOLS-id_38238120	224.366	UWCRDDAVULEVTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020313
CCC1CCc2c1nc(s2)NC(C)(C)C	PC-id_116175994	224.366	PSKXCSKFWICLSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020314
CCC1CCc2c1nc(s2)NCC(C)C	PC-id_116175995	224.366	BBLHEBLCRQAQRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020315
CCC(c1sc2c(n1)CCC2)(C(C)C)N	PC-id_61331292,EMOLS-id_38235628	224.366	FDZKBXVYNXQFLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020316
CCC(c1sc2c(n1)C(CC2)(C)C)(N)C	EMOLS-id_42568827,PC-id_79857769	224.366	DMORSGWHHOEZID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020317
CC(C(c1sc2c(n1)C(CC2)(C)C)N)C	PC-id_79857436,EMOLS-id_42568817	224.366	QIQZISWGLRRDGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020318
CCC(c1sc2c(n1)CCC2)(NC)CC	EMOLS-id_38236590,PC-id_61331565	224.366	CFHXOPYDHFKZSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020319
CCC(C(c1sc2c(c1)CCC2)NN)C	PC-id_105325730	224.366	XLYCHDUJKAXICE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020320
CCCC(c1sc2c(n1)C(CC2)(C)C)N	EMOLS-id_42568815,PC-id_79857435	224.366	SDOFBRUXKPDJLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020321
CCCC(c1sc2c(n1)CCC2)(CC)N	PC-id_108422799	224.366	PSGGJMTWKSQTCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020322
CCC(Cc1sc2c(n1)C(CC2)(C)C)N	PC-id_79856414,EMOLS-id_42568899	224.366	VQEFCQDKMDWYND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020323
CC(CC(c1sc2c(n1)CCC2)(N)C)C	EMOLS-id_38235578,PC-id_61332867	224.366	KPTNLRNZBCOSEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020324
CCCC(c1sc2c(n1)CCC2)(NC)C	EMOLS-id_38236554,PC-id_61329980	224.366	XQXNXYNAHZVDGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020325
CCC(C(c1sc2c(n1)CCC2)N)CC	PC-id_61331691,EMOLS-id_38235632	224.366	DUHBCFCPZCBOIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020326
CCCC(c1sc2c(n1)CCC2)NCC	PC-id_61332216,EMOLS-id_38237274	224.366	FMJWQAOHBCNQJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020327
CCCCC(c1sc2c(c1)CCC2)NN	PC-id_105293750	224.366	CWDBYNZGJGLYBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020328
CCCCC(c1sc2c(n1)CCC2)NC	PC-id_61331172,EMOLS-id_38236624	224.366	OYCFGMNRWJMEMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020329
CCCCCC(c1sc2c(n1)CCC2)N	EMOLS-id_38235548,PC-id_61330495	224.366	QWURURFGZDAQOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020330
CCCCCNCc1sc2c(n1)CCC2	PC-id_115887224	224.366	BBEVKOOIJXFESE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020331
CC(C(C)C)NCc1sc2c(n1)CCC2	PC-id_115887240	224.366	SNWVMDZHQCZFJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020332
CCCCNC(c1sc2c(n1)CCC2)C	PC-id_115869617	224.366	LTIOIJMCUPXQGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020333
CCCC(NCc1sc2c(n1)CCC2)C	PC-id_115887206	224.366	UJDQKVVWDOPYNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020334
CC(CCNCc1sc2c(n1)CCC2)C	PC-id_115887219	224.366	CKNOAJYARDUVHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020335
CCCNc1nc2c(s1)C(CC2C)(C)C	PC-id_106662905	224.366	QWYOSIMPEJQKKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020336
CC(CNc1sc2c(n1)C(CC2)(C)C)C	PC-id_79864376,EMOLS-id_42566857	224.366	BSHOBEHHTMJYHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020337
CCCNC(c1sc2c(n1)CCC2)(C)C	EMOLS-id_38237736,PC-id_61335189	224.366	LWXZDFKXQRIXEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020338
CCCNCc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42568871,PC-id_79857438	224.366	POCMFQGPEGQJHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020339
CC(CNC(c1sc2c(n1)CCC2)C)C	PC-id_115869615	224.366	GWNISVWTKVATBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020340
CCC(NC(c1sc2c(n1)CCC2)C)C	PC-id_115869627	224.366	YNLUZZYTZGRXOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020341
CCC(NCc1sc2c(n1)CCC2)CC	PC-id_115887215	224.366	ZLGQHEMJGREUNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020342
CCC(NCc1sc2c(n1)CCC2)(C)C	PC-id_115887374	224.366	AIFLXKVECJKZJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020343
CCCNC(c1sc2c(n1)CCC2)CC	PC-id_61334203,EMOLS-id_38237706	224.366	GCTKSBVETBUTSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020344
CC(Nc1nc2c(s1)C(CC2C)(C)C)C	PC-id_106662906	224.366	PASCVYCKLKCTDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020345
CC(Nc1sc2c(n1)C(CC2)(C)C)(C)C	PC-id_79864289,EMOLS-id_42566855	224.366	RXQBVPDZMDBGAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020346
CCNC(c1sc2c(n1)CCC2)C(C)C	EMOLS-id_38237288,PC-id_61332221	224.366	ZQTKLYQUPNRKGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020347
CC(NCc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_42568877,PC-id_79857663	224.366	KDPVCWUWENIZLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020348
CCNC(c1sc2c(n1)CCC2)(CC)C	PC-id_61332191,EMOLS-id_38237244	224.366	KZCYZVBZDOYGNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020349
CCNCCNCc1sc2c(c1)CCC2	PC-id_104377498,EMOLS-id_315848841	224.366	FSHSDPGSUUHMEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020350
CNC(c1sc2c(n1)CCC2)(C(C)C)C	EMOLS-id_38236560,PC-id_61330575	224.366	TXZUVIAKIVSOBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020351
CNC(c1sc2c(n1)CCC2)CC(C)C	EMOLS-id_38236584,PC-id_61330579	224.366	HFEUJCCTGZESDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020352
CNCC(c1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_313708780,PC-id_104513361	224.366	FOMZGMOYIOGVER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020353
CNC(C(C)(C)C)c1sc2c(n1)CCC2	PC-id_61331171,EMOLS-id_38236622	224.366	DSHKWDHXVVJJHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020354
CNCCCNCc1sc2c(c1)CCC2	EMOLS-id_315880327,PC-id_104422049	224.366	MBDMCKBPCXZBGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020355
CNCCN(Cc1sc2c(c1)CCC2)C	EMOLS-id_260596149,PC-id_104412805	224.366	JPYAIXJDKGYKQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020356
CNCC(NCc1sc2c(c1)CCC2)C	PC-id_104395022,EMOLS-id_315860364	224.366	WZJANVSYZQQOJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020357
CN(CCNCc1sc2c(c1)CCC2)C	PC-id_61207059,EMOLS-id_38138719	224.366	BIBFDKUCODSZJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020358
n1c2CCCc2sc1C(CC)NC(C)C	MCULE-6112910754,PC-id_61336204,EMOLS-id_38238128	224.366	UVJOYLGRVRNZIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020359
NC(c1sc2c(n1)CCC2)CC(C)(C)C	PC-id_62952328,EMOLS-id_39486569	224.366	VSRLDUSWXLHEHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020360
NCC(c1sc2c(n1)C(CC2)(C)C)(C)C	PC-id_103097154	224.366	DVKQLNYHQSABBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020361
NCCCCc1sc2c(n1)C(CC2)(C)C	PC-id_79857885,EMOLS-id_42568933	224.366	AIJKJNBRHAYIEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020362
NC(C(C)(C)C)Cc1sc2c(n1)CCC2	EMOLS-id_313747347,PC-id_82066891	224.366	NRKPQKZZCIVSHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020363
NCCC(NCc1sc2c(c1)CCC2)C	PC-id_116305772	224.366	YFFCVVVYARAWBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020364
NCCN(Cc1sc2c(c1)CCC2)CC	PC-id_103102296	224.366	FVHCMCYGCIYJKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020365
NNC(c1sc2c(c1)CCC2)CC(C)C	PC-id_105282729	224.366	NDGKJSFAZVKQPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020366
NNC(C(C)(C)C)c1sc2c(c1)CCC2	PC-id_105305286	224.366	HSQKAMXIPPVKCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020367
s1c2c(nc1CC(C)C)C(CC2)CCN	PC-id_84133013	224.366	LCZKEPUZNXGUMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020368
s1c2c(nc1C(N)C(CCC)C)CCC2	PC-id_61964859	224.366	ARRRMTKMBHSQNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020369
S1Cc2c(c([nH]c2C1)C(C)(C)C)CCN	PC-id_84789795	224.366	HVLPENMZLKVPSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020370
s1c(nc2c1CCC2)C(NC)C(CC)C	PC-id_61331170	224.366	OLLJBMBDSOCXOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020371
s1c(nc2c1CCC2)C(N)(C(CC)C)C	PC-id_61331290	224.366	MISXUJYWAMTXNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020372
C[SiH](OC1C(=Cc2c1sc(c2)C)C)C	SCHEMBL7095237	224.395	HOFIMDWVVPMSEH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020373
c12SC(Sc1ssc2=S)C	MCULE-4028841207,PC-id_4668287,TIMTEC232697	224.41	JBMJUOWOTAHBHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020374
C[C@@H]1Sc2ssc(=S)c2S1	PC-id_40571865,ZINC22_5920900	224.41	JBMJUOWOTAHBHM-REOHCLBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020375
C[C@H]1Sc2ssc(=S)c2S1	ZINC22_5920112,PC-id_40571715	224.41	JBMJUOWOTAHBHM-UWTATZPHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020376
ClCc1c2CCCc2oc1C(F)(F)F	PC-id_83610558	224.607	IKIXUCFSKYPHJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020377
c12C(CCc1nn(C)c2Cl)C(F)(F)F	EMOLS-id_320437266,MCULE-9579150927	224.611	ZUOXFANCVHEQII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020378
c12CC(Cc1nn(C)c2Cl)C(F)(F)F	MCULE-7283288640,EMOLS-id_320437522	224.611	IOYCPMLPMYQSIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020379
FC(F)(F)Cn1nc2CCCc2c1Cl	EMOLS-id_114760426,MCULE-2872640573	224.611	DDPYGEKVIUACES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020380
ClS(=O)(=O)c1n2CCSc2nc1	PC-id_84028644	224.688	YRBMZFCYRAEHSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020381
c12C(C)CCc1n(nc2Cl)CC1CCC1	EMOLS-id_330973437,MCULE-7310435774	224.73	VKTKOEJOSSAJCI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-020382
CC1CCc2c1c(CCl)nn2CC1CC1	MCULE-7818004347,EMOLS-id_331027205	224.73	ZYNIGJZRFABWMD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020383
CC1CCc2nn(CC3CC3)c(CCl)c12	EMOLS-id_331012532,MCULE-6287350050	224.73	DORQXVINXIZHGV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020384
CC1CCc2nn(CC3CCC3)c(Cl)c12	MCULE-9956040778,EMOLS-id_330959806	224.73	XZICQPDOOQFPJL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-020385
CC(C1CC1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960566,MCULE-8780922807	224.73	TVRJSLHYNWGHML-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020386
CC(C)C1=CC=C2N1C(=O)C=C2SS	PC-id_146691916	225.028	QIUBFEWQNLXOCI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020387
CC1(CC2=C(S1)NC=C2C(=O)N)C(=O)N	PC-id_154242235	225.057	RYGNVGDSRALSPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020388
CC(=C)NC1(CCC2=C1C=C(S2)S)C	PC-id_153571678	225.065	AZOGRSNMODSDIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020389
CC1(C2=C(CN1C(=O)O)C=NN2C(=O)O)C	PC-id_153837931	225.075	VHAVDUZAPCMSKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020390
CC1(C2=NN(C=C2CN1C(=O)O)C(=O)O)C	PC-id_154234196	225.075	QDZIVEOVGBUSCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020391
Clc1sc(Cl)c2C(O)CC(O)c12	PC-id_396946	225.092	NLWVTMQFKGCHHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020392
O[C@@H]1C[C@@H](c2c1c(Cl)sc2Cl)O	CoCoCo_5770725,PC-id_92155133	225.092	NLWVTMQFKGCHHN-WSOKHJQSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020393
O[C@@H]1C[C@H](c2c1c(Cl)sc2Cl)O	NSC704127,PC-id_92155134,CoCoCo_5770723	225.092	NLWVTMQFKGCHHN-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020394
O[C@H]1C[C@@H](c2c1c(Cl)sc2Cl)O	PC-id_92155135,CoCoCo_5770724	225.092	NLWVTMQFKGCHHN-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020395
C1C(CN2C1=CN=C2)NC3=C(C=CC=N3)C#N	EMOLS-id_257947510,PC-id_154766623,MCULE-5068496868	225.101	TYQCOUKVLRHTAW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-020396
C1=CC=C(C=C1)COCC2C=CN3C2=CC=C3	PC-id_154449378	225.115	BIZLJPMASSMRGZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-020397
CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3	PC-id_153820039	225.115	GGNBWOXAOFOBII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020398
CC1=CC(=CC=C1)C(=O)C2=CC=C3N2CCC3	PC-id_153820040	225.115	HDORKNNBFMBJPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020399
CC1=NC2=C(C1)C=NN2C(C)C3=CC=CC=C3	PC-id_160105852	225.127	OUZLLQISEJJKLH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-020400
Clc1sc(Cl)c2[C@@H]([NH3+])C[C@@H]([NH3+])c12	PC-id_21596736	225.139	FWZHCWBATKEGSY-WSOKHJQSSA-P	00000010100000000000000010000000000000000000000000000000	25-01-020401
Clc1sc(Cl)c2C([NH3+])CC([NH3+])c12	PC-id_73811362	225.139	FWZHCWBATKEGSY-UHFFFAOYSA-P	00000010100000000000000010000000000000000000000000000000	25-01-020402
S1(=O)c2n(nc(n2)C(F)(F)F)C(=O)C1	PC-id_86191755	225.148	KVOLAPUQRZJBSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020403
c1(CCl)c2CSCc2sc1Cl	MCULE-8973880490,EMOLS-id_331060268	225.159	WNBPCDDCLCYEOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020404
S1(=O)(=O)Cc2n(C1)ccc2C(F)(F)F	PC-id_46185536	225.188	CPOSJHLSCBEZRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020405
OCS1n2cncc2N=C1C(F)(F)F	SCHEMBL20744650	225.192	JKRCEXREHPEIEZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020406
CC(C(=O)O)NC(=O)c1cc2n(n1)CCO2	PC-id_119026957	225.201	PQIQLLFVYSBJAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020407
C[C@H](C(=O)O)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_278685502	225.201	PQIQLLFVYSBJAX-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020408
CN(C(=O)c1cc2n(n1)CCO2)CC(=O)O	EMOLS-id_258060044	225.201	BWMNEZULNXNYPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020409
COC(=O)N1Cc2c(C1)nn(c2)C(=O)OC	PC-id_140544979	225.201	NOHKVLNYTMKXDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020410
COC(=O)N1Cc2c(C1)n(nc2)C(=O)OC	PC-id_141090852	225.201	CVDIOGQGVPZVKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020411
O1C(Cn2c1nc([N+](=O)[O-])c2)COCC=C	PC-id_468939	225.201	JDIQKEYNOXNIMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020412
O1[C@@H](Cn2c1nc([N+](=O)[O-])c2)COCC=C	PC-id_73953243	225.201	JDIQKEYNOXNIMJ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020413
OC(=O)N1Cc2c(C1C)c(nn2C(=O)O)C	SCHEMBL6455004,PC-id_69786049	225.201	PFKYJEARKNULKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020414
O(C(=O)N1Cc2c(nn(c2C(=O)O)C)C1)C	PC-id_83917980	225.201	BOPSTUHBEDHKOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020415
O(C(=O)N1Cc2n(nc(c2C1)C(=O)O)C)C	PC-id_83917983	225.201	OMYWEADBZIESFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020416
COC(=O)c1[nH]c2c(c1F)C(=O)C(C2)(C)C	PC-id_139036055	225.216	CNAZATBRYQFIBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020417
C1CC1CC1CC(c2nc(nn12)C(=O)O)F	PC-id_137408248,SCHEMBL20640996	225.22	BMAPZLPDGRYXES-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020418
C1CC1C[C@@H]1C[C@@H](c2nc(nn12)C(=O)O)F	SCHEMBL20640994,PC-id_137408246	225.22	BMAPZLPDGRYXES-RQJHMYQMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020419
FC[C@@H]1C[C@H]1NC(=O)c1cc2n(n1)CCO2	EMOLS-id_320151390,MCULE-4055351091	225.22	ARNRIPXGIFILBF-NKWVEPMBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020420
OCc1n[nH]c2CN(Cc12)C(=O)C1(F)CC1	EMOLS-id_313727698,ZINC22_1565551076	225.22	JHZXIFUSADOCPQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020421
O=C([C@H]1C[C@H]1F)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_2325811695	225.22	WRSIPKGUCWEVCG-KWPFTWCOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020422
O=C([C@H]1C[C@H]1F)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_2325811696	225.22	WRSIPKGUCWEVCG-MTQIGAJGSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020423
CC(N1C(=O)c2c(C1=O)csc2)C(=O)O	EMOLS-id_266487255	225.221	UOPXUBMCVADIAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020424
O1C([n+]2c(c([nH]c2)C(=O)OCC)C1=O)(C)C	PC-id_4742937	225.221	AHGHATWKVZDPSC-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-020425
OC(=O)CCN1C(=O)c2c(C1=O)csc2	EMOLS-id_266487173	225.221	UWNNRWHQPMQRNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020426
OC(=O)CN1C(=O)c2c(C1=O)sc(c2)C	PC-id_58703359,SCHEMBL15932759	225.221	FSMQQZHZSLDZHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020427
s1c2c(C(OC(=O)C)C(=C2)[N+](=O)[O-])cc1	PC-id_13897093	225.221	PSNKTAMTKNWHMV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020428
S1c2n(CC1)c(c(c2C(=O)[O-])C(=O)[O-])C	PC-id_6930235	225.221	FOBCTCMUELFDTM-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-020429
s1cc2C(OC(=O)C)C(=Cc2c1)[N+](=O)[O-]	PC-id_13897095	225.221	ZMWOKFHODLMFRZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020430
COCCCN1Cc2c(C1)coc2C(=O)O	PC-id_97734009	225.241	VDBJQDKEODRMLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020431
OC1(CCc2onc(c12)C(C)C)CC(=O)O	PC-id_83911115	225.241	LNTHLOLCWCQXEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020432
OC[C@@H](CNC(=O)c1occ2c1CCC2)O	EMOLS-id_318862533	225.241	VDHCQEKBTXFONP-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020433
n12CCC(=O)c1ccc2C(=O)c1ccccc1	EMOLS-id_42853656,ZINC22_67665122,SCHEMBL1423217,MCULE-5033119398,PC-id_57357361	225.243	NFKBMHXYCKRXPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020434
Oc1ccc(cc1)C(=O)c1ccc2n1CC=C2	SCHEMBL3278524,PC-id_54076870	225.243	MKIBJAUBWUILJI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-020435
Oc1cccc(c1)C(=O)C1=CCn2c1ccc2	SCHEMBL3278528,PC-id_23186926	225.243	AJFQZOXZSXYCRS-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-020436
c12CN(Cc1nn(CC)c2O)C(=O)OCC	EMOLS-id_324338537,MCULE-3232581507	225.244	YPYINOFZSSHMNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020437
c12CN(Cc1nn(CCC)c2O)C(=O)OC	EMOLS-id_324340584,MCULE-2766425507	225.244	FUGOLFLUZLTOEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020438
c12CN(Cc1noc2N)C(=O)OC(C)(C)C	PC-id_83803078,MCULE-6076670830	225.244	HHZWKPVEQYOOSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020439
c1(NC(=O)OC(C)(C)C)nn2CCOc2c1	EMOLS-id_337744546,PC-id_164664643,MCULE-8396604546	225.244	OXPSBJAVPIUEDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020440
Cc1c2n(CCO2)nc1C(=O)NCCCO	PC-id_91959954	225.244	XIQRIAHVYBZUHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020441
Cc1c2n(CCO2)nc1C(=O)NCC(C)O	PC-id_91959964	225.244	JKSMNEJOSUKREY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020442
Cc1c2n(CCO2)nc1C(=O)N(C)CCO	PC-id_91959979	225.244	SAERZVYVWALEFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020443
CCC1CC(c2nc(nn12)C(=O)OCC)O	PC-id_137408163,SCHEMBL20640841	225.244	FGWVGBAMJTUGMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020444
CC(C)(C)OC(=O)N1Cc2[nH]nc(O)c2C1	EMOLS-id_317405057,PC-id_83850023	225.244	ASTMXWJMZYHXBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020445
CC(C)(C)OC(=O)N1Cc2onc(N)c2C1	PC-id_82391667,EMOLS-id_330455794	225.244	WTPJSEMCYIDRNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020446
CC[C@H]1C[C@@H](c2nc(nn12)C(=O)OCC)O	PC-id_137412569,SCHEMBL20645984	225.244	FGWVGBAMJTUGMC-BQBZGAKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020447
CC[C@@H]1C[C@H](c2nc(nn12)C(=O)OCC)O	SCHEMBL20640843,PC-id_137408164	225.244	FGWVGBAMJTUGMC-RNFRBKRXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020448
CC(CONC(=O)c1cnn2c1CCC2)O	EMOLS-id_319927881,MCULE-4887899597	225.244	MDPJGWTZYOJLMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020449
CC(CONC(=O)c1nn2c(c1)CCC2)O	EMOLS-id_320209463,MCULE-5865917270	225.244	OCBNXEKGKVHCCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020450
CCn1c(COC(=O)C)nc2c1CN(C2)O	SCHEMBL17380488,PC-id_118614223	225.244	ROLAFEWNJPQXGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020451
CCOC(=O)c1cc2OC(CCN)Cn2n1	PC-id_153545645,EMOLS-id_337761739	225.244	WUTBMEUHUMMWFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020452
COCCCNC(=O)c1nn2CCOc2c1	PC-id_91959850	225.244	CCTLPVFFFUTNIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020453
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCCC)C	PC-id_460737	225.244	YPLGANYGSFFJHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020454
O1[C@H](CCCCC)Cn2c1nc([N+](=O)[O-])c2	PC-id_73953245	225.244	PJGUKLWPWFCDSA-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020455
O=c1[nH]n(c2C(N(Cc12)C(=O)OC)CC)C	PC-id_83850019	225.244	GRTDBYIUBNPJLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020456
O(C(C)(C)C)C(=O)N1Cc2[nH]c(=O)[nH]c2C1	PC-id_84028685	225.244	KPAUYXLZZMAUSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020457
O(C(C)(C)C)C(=O)N1CCc2onc(N)c12	PC-id_82391666	225.244	HLGMIWIIOYTLFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020458
OC[C@@H](CNC(=O)c1cnc2n1CCC2)O	EMOLS-id_319169946	225.244	INORXPRXMLXEGM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020459
OC[C@@H](CNC(=O)c1n[nH]c2c1CCC2)O	EMOLS-id_319257350	225.244	HHKKYNSICVTZOS-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020460
OCCn1nc2c(c1C(=O)O)CN(C2)CC	PC-id_105482872	225.244	SYTHSLMXYONGIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020461
OCCn1nc(c2c1CN(C2)CC)C(=O)O	PC-id_105482874	225.244	PEQVUQCSMGNTGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020462
OC(C(O)(C)C)C(=O)N1CCn2c1ccn2	EMOLS-id_316551247	225.244	XBUYLKHSVJBGKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020463
O([C@@H]1[C@H](c2n(nnc2CC(=O)OC)C1)C)C	PC-id_73438766	225.244	HFGJJTQLTMJGOI-SVRRBLITSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020464
O=C(OC(C)(C)C)Nc1cnn2c1OCC2	PC-id_122678112,SCHEMBL18215106	225.244	XXPZXNSNLXGJME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020465
OC(=O)N1Cc2c(C1)cn(n2)CC(O)(C)C	PC-id_118469318,SCHEMBL17202438	225.244	QUCIKMUXDDFQBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020466
O(C(=O)N1C(c2[nH][nH]c(=O)c2C1C)(C)C)C	PC-id_83850015	225.244	LMQVHIIECCWPDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020467
O(C(=O)N1C(c2n([nH]c(=O)c2C1)C)(C)C)C	PC-id_83850020	225.244	IWOBPCIIMQVGFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020468
O(C(=O)N1C(C(C)C)c2[nH][nH]c(=O)c2C1)C	PC-id_83850016	225.244	JNNYCLUBWCTIJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020469
s1c2CCC(c2nc1NC(=O)C)C(=O)[O-]	PC-id_75692192	225.244	OVIKNVWLRJDMGL-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-020470
s1c2CC[C@@H](c2nc1NC(=O)C)C(=O)[O-]	PC-id_52194713	225.244	OVIKNVWLRJDMGL-YFKPBYRVSA-M	00000010100000000001000010000000000000000000000000000000	25-01-020471
s1c2CC[C@H](c2nc1NC(=O)C)C(=O)[O-]	PC-id_52194715	225.244	OVIKNVWLRJDMGL-RXMQYKEDSA-M	00000010100000000001000010000000000000000000000000000000	25-01-020472
N#CC1CCn2c1ccc2C(=O)c1ccc[nH]1	PC-id_70566917,SCHEMBL11340671	225.246	XNSPCPRIINATIW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-020473
CCN(P1#Cc2c(C1=O)ccs2)CC	PC-id_143359466	225.247	RMRQLJJVBQQKTF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020474
n12N=C(C(=Nc3ccccc3)c1nnc2C)C	PC-id_59942824	225.249	IBWIFNKXWUDASH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-020475
N#Cc1c(Nc2ccccc2)nn2c1NCC2	PC-id_139220384	225.249	TWMICHZBIFWWHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020476
CNN/C(=NN)/c1nc2c(n1C)CN(C2)O	PC-id_144979579	225.251	OAHYUKJRGLXYIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020477
CCOC(=O)c1[nH]c2c(c1F)CC(C2)(C)C	PC-id_139034756	225.259	NUXUNOGDLABIKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020478
c1(C(=O)NCC)c2CCCc2n(CCF)n1	MCULE-3097721099,EMOLS-id_324389207	225.263	XEKNJFMNEQWNPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020479
c1(C(=O)OC)c2CCCc2sc1NC=O	EMOLS-id_8860570,MCULE-9132815234,PC-id_19584651,TIMTEC583553,ZINC22_6490478	225.264	YWROXYUYGVKWCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020480
c1(NC(=O)C)sc2c(CCC2)c1C(=O)O	PC-id_4963893,TIMTEC477566,ZINC22_5480976,CoCoCo_3691106,SCHEMBL20541948,EMOLS-id_3425174,MCULE-1291566738	225.264	UIJDFPAGHBJLRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020481
CC(=O)c1scc2c1CC(C2)(N)C(=O)O	PC-id_112484908	225.264	AEXMEXOLCWEBCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020482
CCOC(=O)C1(Cc2c(S1)cc[nH]2)C=O	PC-id_86758102,SCHEMBL7680398	225.264	JTIOPVATAWABJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020483
NC(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-9615401255,ZINC22_3416745,EMOLS-id_3364755,CoCoCo_2840923,PC-id_2535790	225.264	CITLAPWGTOKOLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020484
O=CNc1cc2c(s1)CCC2C(=O)OC	PC-id_143029439	225.264	BRZUDIFEVSDJKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020485
OC(=O)CNC(=O)c1cc2CCCc2s1	ZINC22_19385245,MCULE-3200047100,EMOLS-id_32442773,PC-id_20118296	225.264	DZFKDPXSJIPOQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020486
s1c2c(CCC2)c(c1C(=O)N)C(=O)OC	PC-id_22382603	225.264	UGGVJWKLODSLHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020487
s1c2CCCc2cc1N(CC(=O)O)C=O	PC-id_20848343	225.264	JKVHDHLBZCPNBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020488
s1c2CCCc2nc1C(=O)CCC(=O)O	PC-id_84735688	225.264	PDWSOIXEMCKLEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020489
s1c2c(C(C/C/2=N/O)CC(=O)OC)cc1	PC-id_21770070	225.264	XKOYRUDFPPWICK-FLIBITNWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020490
s1c2c(C(CC2=NO)CC(=O)OC)cc1	PC-id_21770071	225.264	XKOYRUDFPPWICK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020491
s1c2c(CCC2=O)c(c1N)C(=O)OCC	PC-id_83669419	225.264	YWGSXDLTPQSUOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020492
s1c2c(C(CC2=O)CNC(=O)OC)cc1	PC-id_21770073	225.264	GYESVXOCOJEBMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020493
s1c2CCC(NC(=O)CC(=O)O)c2cc1	PC-id_83626207	225.264	XAKQYLPIOKJPCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020494
s1c(c2CN(Cc2c1)C(=O)C)CC(=O)O	PC-id_82617970	225.264	UTPJJPYFRPUGFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020495
c1(c2CCCc2sc1N)C(=O)NC(=O)N	PC-id_52992035,EMOLS-id_31745895,MCULE-9794610722,ZINC22_100968030	225.268	WJQQXJCQWJBICR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020496
N#Cc1nn(c2c1CS(=O)(=O)C2)C(C)C	PC-id_105483006	225.268	YLZOXQBVVIOUSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020497
N#Cc1n(nc2c1CS(=O)(=O)C2)C(C)C	PC-id_105483010	225.268	ZUVWLOGXPPTHAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020498
NC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25249128,EMOLS-id_12606624,CoCoCo_6689951,MCULE-9173169555	225.268	XBBSBHXEFXCUED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020499
s1c2CCCc2cc1C(=O)NNC(=O)N	PC-id_60704493	225.268	WDCWBHGTJOMLTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020500
S1Cc2c(noc2NC(=O)NCC=C)C1	PC-id_49720630	225.268	LSPJBDCQOMMHAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020501
C1Cc2c(C1)[nH]nc2C(=O)NNC(=S)N	PC-id_137719389	225.271	HUAFOQBQKGAAOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020502
O(C1C(O)Cn2c1c(cc2)COCC)CC	PC-id_85686267	225.284	PPTBIHHGANZAHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020503
CC1n2cccc2C(=O)C1Cc1ccccc1	SCHEMBL10903399,PC-id_23311603	225.286	DPRPWQWFFIKRTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020504
COc1ccc(cc1)CC1C=Cn2c1ccc2	SCHEMBL7766470,PC-id_70184968	225.286	SPIFTUNBJPHCTM-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-020505
O=C1c2c(n(c(c2)C)Cc2ccccc2)CC1	PC-id_10513386	225.286	JUPTWZDLLMMAAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020506
O=C1c2c(n(cc2C)Cc2ccccc2)CC1	PC-id_16127175	225.286	GKPKTMMTDWDTJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020507
O=C(c1c2n(CCC2)c(c1)C)c1ccccc1	PC-id_10857127	225.286	NEQLAKNPAHTYSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020508
O=Cc1cc2c([nH]1)C(CC2)Cc1ccccc1	PC-id_143725817	225.286	IPLUEHFBESWKSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020509
O=Cc1cc2c([nH]1)CCC2Cc1ccccc1	PC-id_143725821	225.286	MNZJRICEERZFHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020510
O=Cc1cc2c([nH]1)CC[C@@H]2Cc1ccccc1	PC-id_144126375	225.286	MNZJRICEERZFHA-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020511
O=C(c1ccc2n1CCC2C)c1ccccc1	PC-id_18335748,SCHEMBL2760404	225.286	NAFBOBBFXIESAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020512
n1(ncc2N=C(Cc12)C)Cc1ccc(cc1)C	PC-id_58258330	225.289	YBAUKPAMWOONFW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-020513
c1(c2CCCc2sc1N)C(=O)OC(C)C	CoCoCo_5822836,TIMTEC562965,PC-id_4133710,EMOLS-id_837093,MCULE-1141904261,ZINC22_4298952	225.307	XZWMTXCBDWFWIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020514
c1(CC(N)C(=O)O)c(C)c2c(CCC2)s1	MCULE-7559678763,PC-id_112484862	225.307	LSAVCURWEWQHOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020515
c1(C(=O)OC)c2C(C)(C)CCc2sc1N	MCULE-5524119152,PC-id_75356331,EMOLS-id_42566871	225.307	PDECIJZNYOHCLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020516
c1(C(=O)OCCC)c2CCCc2sc1N	CK1526245,MCULE-8099259811,TIMTEC114046,CoCoCo_743227,EMOLS-id_2128768,ChEMBL-DNDi_CHEMBL1322365,PC-id_1714051,ZINC22_2027923,CHEMBL1322365	225.307	CYWIEOWOBJPEMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020517
CCC1CCc2c1c(C(=O)OC)c(s2)N	PC-id_116176026	225.307	JXBHGCKYFNOOSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020518
CCC(C1CCc2c1ccs2)NC(=O)O	PC-id_67256874,SCHEMBL2037561	225.307	PSALEMKPHAEPMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020519
CCC(c1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_107340818,PC-id_104286714	225.307	LQGRNZKBGCDRRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020520
CC(Cc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287335,EMOLS-id_107809316	225.307	IQCCYTUMILHCBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020521
CCCCc1nc2c(s1)CCC2C(=O)O	EMOLS-id_313577634,PC-id_104287382	225.307	CZYKHFIHUBCKFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020522
CC(C)(C)OC(=O)c1cc2CNCc2s1	EMOLS-id_207613874,MCULE-9774597871	225.307	KJYQWBIEGZNYGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020523
CC(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_43391123,EMOLS-id_37231788	225.307	OYDOAWYLWBGBSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020524
CC(C(=O)O)NCc1sc2c(c1)CCC2	EMOLS-id_38534336,PC-id_61722009	225.307	RCSVRKDNVRXIBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020525
C[C@H](CNC(=O)c1sc2c(c1)CCC2)O	EMOLS-id_314391570,PC-id_83031491	225.307	OYDOAWYLWBGBSP-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020526
C[C@@H](CNC(=O)c1sc2c(c1)CCC2)O	PC-id_83030252,EMOLS-id_315731926	225.307	OYDOAWYLWBGBSP-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020527
C[C@H](CO)NC(=O)c1cc2c(s1)CCC2	PC-id_79027949,ZINC22_35205096,EMOLS-id_41830570	225.307	IFZBPSNNDYIMSG-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020528
C[C@@H](CO)NC(=O)c1cc2c(s1)CCC2	ZINC22_35205095,PC-id_65808451,EMOLS-id_41497355	225.307	IFZBPSNNDYIMSG-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020529
CCNc1sc2c(c1C(=O)OC)CCC2	PC-id_63091089,EMOLS-id_39588020	225.307	YDMPMYYEXKNUSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020530
CCN(C(=O)O)CC1CCc2c1ccs2	PC-id_67256875,SCHEMBL2037562	225.307	SGKSQUSSRUTANB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020531
CC(=O)c1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_266490681,PC-id_79927334	225.307	PUHWUNZMPPUGLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020532
CCOC(=O)C1CCc2c1nc(s2)CC	PC-id_104287109	225.307	JHGGLVXSOLGCCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020533
CCOC(=O)c1c(NC)sc2CCCc12	PC-id_63092233,EMOLS-id_39584454	225.307	WVVFHXWNSLSIIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020534
CCOC(=O)c1c(N)sc2CCC(C)c12	PC-id_65047065,EMOLS-id_40959136	225.307	LGSNQZREWDBDRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020535
CCOC(=O)Cc1c2CCN(c2cs1)C	SCHEMBL15241183,PC-id_89791502	225.307	MAIXSIWOBRHEIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020536
CCOC(=O)NCC1CCc2c1ccs2	PC-id_68335004,SCHEMBL12644526	225.307	APYNWCZMVQVDCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020537
CNc1sc2c(c1C(=O)O)C(CC2)(C)C	SCHEMBL21260935,PC-id_139404072	225.307	UGILSAHLCYKDDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020538
COCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38692627,PC-id_61948073	225.307	PCWVANVOVOIVCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020539
COC(=O)Cc1sc2c(n1)C(CC2)(C)C	PC-id_79858001,EMOLS-id_42569107	225.307	WXDZDUHMKOUMMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020540
COC(=O)C(CN)c1cc2CCCc2s1	MCULE-8252424043,EMOLS-id_313793228	225.307	AILGFAUGBJHUEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020541
COC(=O)CNCc1sc2c(c1)CCC2	EMOLS-id_38138733,PC-id_61207430	225.307	KCAZIPPBYPRNIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020542
NC(CCC(=O)O)c1cc2CCCc2s1	MCULE-2754062171,EMOLS-id_313787328	225.307	IFFANIZDXIHPQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020543
NCC(CC(=O)O)c1cc2CCCc2s1	MCULE-8117229575,PC-id_82618023,EMOLS-id_313814210	225.307	ALOOSWIJQUVJQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020544
O=C(c1sc2c(n1)CCC2)OC(C)(C)C	MCULE-2968977760	225.307	BLQKDFICNLFBRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020545
OCCN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_37228734,PC-id_60652771	225.307	BFGWUXZNUVDHDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020546
OCC(NC(=O)c1sc2c(c1)CCC2)C	MCULE-3749696648,EMOLS-id_37464298,PC-id_43419153	225.307	IFZBPSNNDYIMSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020547
O=C(N1Cc2c(C1)ccs2)OC(C)(C)C	PC-id_141432076	225.307	UPKVGUNNQIJXBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020548
O=C(N1Cc2c(C1)csc2)OC(C)(C)C	SCHEMBL9182719,PC-id_18947049	225.307	KKRLCFOCGJOEJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020549
O=C(NCCCO)c1cc2c(s1)CCC2	MCULE-5271469626,PC-id_43390098,EMOLS-id_37229464,ZINC22_35102376	225.307	NZXXADISCIPFLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020550
OC(=O)C1CCc2c1nc(s2)C(C)(C)C	PC-id_104287315,EMOLS-id_266490610	225.307	QSNAXPNKJFCCCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020551
OC(=O)C(c1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_266490649	225.307	PTGCHSJCQBIODK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020552
OC(=O)CCNCc1sc2c(c1)CCC2	PC-id_61208562,EMOLS-id_38138701	225.307	APRFZAYLHDBZPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020553
s1c2c(c(c1C(O)CNC)C)C(=O)CC2	PC-id_82618043	225.307	QDIFCXDPISAYAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020554
s1c2C(CCc2cc1C)(CC(=O)O)CN	PC-id_83911167	225.307	OBUWMKWONWYLTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020555
s1c2c(CCC2)c(c1C(N)CC(=O)O)C	PC-id_82618022	225.307	PTTFEXWRQDUAJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020556
s1c2CCCc2cc1CNC(=O)OCC	PC-id_61941066	225.307	AAIZEYDYACXHHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020557
s1c2CCCc2cc1C(=O)NCCOC	PC-id_29198521	225.307	VEXLSQXHJPGQTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020558
s1c2c(C(CC2)(CC(=O)O)CN)cc1C	PC-id_83911168	225.307	XDHNQSAURAZOKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020559
s1c2CCC(c2nc1C(C)C)CC(=O)O	PC-id_83892236	225.307	SXPJLRIWVKAHBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020560
s1c2C(CCc2nc1C(C)C)CC(=O)O	PC-id_83892240	225.307	CKZVXNYVBIVZAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020561
s1c2CCC(c2nc1CCC)CC(=O)O	PC-id_84133493	225.307	MVWKLEXEMXXFGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020562
s1c2CCN(c2cc1)C(=O)OC(C)(C)C	PC-id_82391632	225.307	WHILRQVTNDVXKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020563
s1c2c(C(N)(CC2)C(=O)O)cc1C(C)C	PC-id_83911176	225.307	HTZKPOLXTIAAIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020564
s1c2c(C(N)(CC2)C(=O)OC)cc1CC	PC-id_83911172	225.307	BFDAZOAFEMBEDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020565
s1c2c(nc1C(=O)OCC)C(CC2)(C)C	PC-id_79856422	225.307	YFVKLWDXECDOHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020566
s1c2C(N)(CCc2cc1C(C)C)C(=O)O	PC-id_83911174	225.307	LIISFTRAYPFHRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020567
s1c2C(N)(CCc2cc1CC)C(=O)OC	PC-id_83911170	225.307	QHANRWUVDJVACY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020568
S1Cc2c(c([nH]c2C1)C(C)C)CC(=O)O	PC-id_84790375	225.307	JOPXSUNSHIASGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020569
S1Cc2c([nH]c(C(C)(C)C)c2C(=O)O)C1	PC-id_84790374	225.307	DJOMPBIGFGYZAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020570
c12CN(Cc1sc(N)n2)CC1CCCO1	MCULE-9679716773,PC-id_82194359	225.311	XZKNGEKNNREZLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020571
c1(C(=O)NC)c2CSCc2nn1CCC	MCULE-6345357740,EMOLS-id_324396127	225.311	NOLXSTDGMSLDMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020572
c1(C(=O)NCC)c2CSCc2nn1CC	EMOLS-id_324398175,MCULE-1016823533	225.311	VGMVEFSONAAQSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020573
c1(NC(=O)CC(C)C)sc2c(CNC2)n1	PC-id_82194044,MCULE-3469211373	225.311	HRRIPJCLAYDODN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020574
c1(NC(=O)C(C)C)n(C)nc2CSCc12	MCULE-1047645922,EMOLS-id_188941160,STOCK7S-64859,ZINC22_604419346	225.311	WFMWBNWEEDRUFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020575
c1(sc2c(CCC2)n1)NC(=O)C(CC)N	MCULE-8174490113,EMOLS-id_38357807,PC-id_61511928	225.311	BTMMCYBQNSHTCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020576
CC(CC(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_38357811,PC-id_61511964	225.311	CIEICZSEFJFLAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020577
CC[C@H](C(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_41494213,PC-id_65807576	225.311	BTMMCYBQNSHTCP-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020578
CC[C@@H](C(=O)Nc1sc2c(n1)CCC2)N	PC-id_79022738,EMOLS-id_41494215	225.311	BTMMCYBQNSHTCP-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020579
CCCNC(=O)Nc1sc2c(n1)CCC2	PC-id_115573384	225.311	ZKJLMOZQVLZDDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020580
CC(C(=O)NCc1sc2c(n1)CCC2)N	EMOLS-id_313618435,PC-id_83623316	225.311	VXTFHMDFLAANPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020581
CC(C(=O)N)NCc1sc2c(n1)CCC2	PC-id_115887246	225.311	OIYGMYLXHAOKTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020582
C[C@@H](CN)C(=O)Nc1nc2c(s1)CCC2	ZINC22_54345326	225.311	LQTLXNWIMWXBNC-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020583
C[C@H](CN)C(=O)Nc1nc2c(s1)CCC2	ZINC22_54345329	225.311	LQTLXNWIMWXBNC-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020584
C[C@@H](C(=O)N)NCc1sc2c(n1)CCC2	PC-id_103992277	225.311	OIYGMYLXHAOKTL-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020585
CCNCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38603187,PC-id_61809910	225.311	YOLKWBGOXDQHNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020586
CC(NC(=O)Nc1sc2c(n1)CCC2)C	PC-id_115579922	225.311	WUNNJUMIQPZLRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020587
CCN(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_115603483	225.311	YUVVWZIJWOEDGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020588
CNCCC(=O)Nc1sc2c(n1)CCC2	PC-id_61711772,EMOLS-id_38528554	225.311	VHDAIAYQMNENRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020589
CNC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_62639701,EMOLS-id_39237589	225.311	QOUHMGONXIEERM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020590
CNC(=O)CNCc1sc2c(n1)CCC2	PC-id_115887231	225.311	BANYZPWWTMSHOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020591
CNC(=O)Nc1nc2c(s1)CCC2(C)C	EMOLS-id_102882664,ZINC22_334969641	225.311	MSFAMBHSULEKMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020592
COCC1(CC1)Nc1n[nH]c2c1SCC2	PC-id_89672713,SCHEMBL15088455	225.311	XSGWMXWTXQQJTQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020593
n1c2CCCc2sc1CCNC(=O)CN	PC-id_110459355,EMOLS-id_324819807,MCULE-5123801116	225.311	RZBHDHDNONHXFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020594
n1c(CNC(=O)CCN)sc2CCCc12	PC-id_83623318,MCULE-7685585189	225.311	LBAXKNBQJKCZKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020595
NCCCC(=O)Nc1sc2c(n1)CCC2	PC-id_61512152,EMOLS-id_38357781	225.311	VPDVQSWBBRPCOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020596
NCC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_62668580,MCULE-5852545403,EMOLS-id_39272113	225.311	LQTLXNWIMWXBNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020597
NC(=O)CCNCc1sc2c(n1)CCC2	PC-id_115919609	225.311	QQKJMOXWYACATR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020598
O=c1n(CC2CCCN2)[nH]c2c1CSC2	PC-id_105483253	225.311	DARVNXYQBSOYSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020599
O=c1n(CC2CCNC2)[nH]c2c1CSC2	PC-id_105483252	225.311	LTXSWBOLFHRLRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020600
O=C(C(N)(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_38357763,PC-id_61512042	225.311	KATDRFMQHUMLQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020601
s1c2c(CCC2)cc1CNC/C(=N/O)/N	PC-id_64335951	225.311	WKROQFDMMGMBFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020602
s1c2CCCc2nc1CNC(=O)CNC	PC-id_83623319	225.311	AZQOLFGIZWVMOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020603
s1c2CCCc2nc1C(NC(=O)CN)C	PC-id_83623339	225.311	QJSMBXKCKJVAQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020604
s1c2CCCc2nc1CN(C(=O)CN)C	PC-id_83629955	225.311	FEHDRQBCKOHJTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020605
s1c2c(nc1NC(=O)CCCC)CNC2	PC-id_82194038	225.311	RQSDPFKSWIBFNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020606
s1c2c(nc1NC(=O)C(C)(C)C)CNC2	PC-id_82194094	225.311	QBAJJSWANNPVSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020607
s1c2CN(Cc2nc1N)C(=O)CCCC	PC-id_82194151	225.311	KBPXYULEWYWUAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020608
s1c2CN(Cc2nc1N)C(=O)CC(C)C	PC-id_82194157	225.311	IOAYFZHVNBUFGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020609
s1c2CN(Cc2nc1N)C(=O)C(C)(C)C	PC-id_82194205	225.311	ZCJNTCAWPBKPCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020610
S1Cc2c(n(nc2C1)C(C)C)NC(=O)C	PC-id_59050142	225.311	ZYTBUYHNTQFZLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020611
S(CCC(=O)Nc1n[nH]c2CCCc12)C	PC-id_9813308	225.311	QUSATOJBOBWQID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020612
CCSc1nn2c(c1N)N=NC2C(C)C	SCHEMBL6284485,PC-id_69732397	225.314	LJVRNFFNJHMZNW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020613
S1c2n(c(nn2)CN2CCNCC2)CC1	PC-id_82618048	225.314	VKWMHXVSOMMDQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020614
CC/C=C
/Cc2c(/C1=C/C)[nH]c(c2C=C)C=C	PC-id_143102953	225.329	CWUXCLVZBCWBNX-AFUQHQPYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020615
n12CC(C(c1ccc2)(C)C)Cc1ccccc1	PC-id_86240650	225.329	LAKOASBJQWXSMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020616
s1c(C(=O)NC2CC2)cc2c1CSC2	PC-id_4252296	225.33	QOTDCYPRSQXDNA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-020617
CCCCCCn1sc2c(c1=O)CCC2	SCHEMBL9177926,PC-id_19023920	225.35	OHQPHOOGKHXWEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020618
CC(CCNCc1sc2c(c1)CCC2)O	EMOLS-id_315856758,PC-id_104317190	225.35	FCDRJHLZORSROT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020619
CC(CNC(c1sc2c(c1)CCC2)C)O	PC-id_115704188	225.35	DCIAXPKGXREKDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020620
CC(CNCc1sc2c(c1)CCC2)(O)C	PC-id_61208170,EMOLS-id_38138679	225.35	OLBPITNDYINCPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020621
CCCOCC(c1sc2c(c1)CCC2)N	PC-id_105008316	225.35	QHXJZZUMICLTTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020622
C[C@@H](CNC(c1sc2c(c1)CCC2)C)O	PC-id_103906471	225.35	DCIAXPKGXREKDB-IENPIDJESA-N	00000010100000000000000010000000000000000000000000000000	25-01-020623
C[C@H](CNC(c1sc2c(c1)CCC2)C)O	PC-id_103906806	225.35	DCIAXPKGXREKDB-VEDVMXKPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020624
CCNC(c1sc2c(c1)CCC2)COC	PC-id_105009011	225.35	CIABVYJFNVGCOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020625
CCOCC(c1sc2c(c1)CCC2)NC	PC-id_105007806	225.35	UUWPTOUXFBCAQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020626
CC(OCC(c1sc2c(c1)CCC2)N)C	PC-id_105013043	225.35	NKYMEADCXQNSMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020627
CCOCCNCc1sc2c(c1)CCC2	EMOLS-id_38138631,PC-id_61207047	225.35	RQGNHLYUFZTOQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020628
CNCc1csc2c1C(C)(C)OC2(C)C	PC-id_114748746	225.35	NCYPLMLBSMFBCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020629
COCCCC(c1sc2c(c1)CCC2)N	PC-id_105054805	225.35	RGDFTGGXRFVOFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020630
COCCCNCc1sc2c(c1)CCC2	PC-id_61206862,EMOLS-id_38138625	225.35	LASPGJMVQCOEPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020631
COC(CNCc1sc2c(c1)CCC2)C	EMOLS-id_314401047,PC-id_104166896	225.35	SPLBDYZXBNKBHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020632
COCC(NCc1sc2c(c1)CCC2)C	EMOLS-id_39144726,PC-id_62536636	225.35	QAFIYCOUMKYQOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020633
COCCNC(c1sc2c(c1)CCC2)C	PC-id_115705610	225.35	MDVKSEMSNCVLPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020634
OCCCCNCc1sc2c(c1)CCC2	PC-id_61669392,EMOLS-id_38486180	225.35	UGSJFPHKDZOADO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020635
OCCCNC(c1sc2c(c1)CCC2)C	PC-id_115705232	225.35	HEDXJVGUNDBJIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020636
OCC(CNCc1sc2c(c1)CCC2)C	PC-id_116492518	225.35	KPUJSHOHOJZFIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020637
OC[C@H](NC(c1sc2c(c1)CCC2)C)C	PC-id_103778551	225.35	MEMLWRYNGNUMRM-VEDVMXKPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020638
OC[C@@H](NC(c1sc2c(c1)CCC2)C)C	PC-id_103789040	225.35	MEMLWRYNGNUMRM-IENPIDJESA-N	00000010100000000000000010000000000000000000000000000000	25-01-020639
OCC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115724771	225.35	MEMLWRYNGNUMRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020640
s1c2c(CCC2)cc1CNC(C(O)C)C	PC-id_80070427	225.35	SLSJEMIEYPTXEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020641
s1c2c(CCC2)cc1C(O)C(CC)CN	PC-id_65188223	225.35	CVMISLVPJHPBIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020642
s1c2c(C(O)(CC2)CCN)cc1C(C)C	PC-id_83911188	225.35	WYNYQTNMZOQIRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020643
s1c2c(C(OC(C)(C)C)(CC2)CN)cc1	PC-id_84690044	225.35	JLLFAPOMHNCJFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020644
s1c2C(O)(CCc2cc1C(C)C)CCN	PC-id_83911186	225.35	NODAMODAKBEFDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020645
S1Cc2c(c(oc2C1)C(C)(C)C)CCN	PC-id_84790447	225.35	ITDJNJPIDWVQLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020646
s1c(CNCC(CC)O)cc2CCCc12	EMOLS-id_38138673,MCULE-2248562861,PC-id_61207978	225.35	OKPFJCPFEVSBNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020647
c12CN(Cc1sc(N)n2)CCCCCC	PC-id_82194353,MCULE-6155742277	225.354	GKRGSDZOYFLPGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020648
CNCc1c2CSCc2nn1C(C)(C)C	MCULE-1103802869,EMOLS-id_324395358	225.354	VFCZLCSAMCHWPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020649
s1c2CCCc2nc1N(C(C)C)CCN	PC-id_83839703	225.354	XETWSSKVYPZGMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020650
S1c2n(c(c(n2)C(C(C)C)CN)C)CC1	PC-id_83892267	225.354	XMVKJRYSGNVLCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020651
SCC(N1Cc2c(C1)cn[nH]2)CC(C)C	PC-id_144237674	225.354	NCZWNFQPDUHMIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020652
CC(C)Nc1c2CCCc2[n+](s1)C(C)C	SCHEMBL14803670,PC-id_89458465	225.374	LBCXUHGFFLOPPG-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-020653
S1CC(C1)NCc1sc2c(c1)CCC2	EMOLS-id_266492984	225.374	BEOIEFTZXAUNAG-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-020654
S1c2c(SC1)ssc2=[S+]C	PC-id_86121829	225.418	NRPXQECBQFOVDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020655
c12cc(nn1CCN2CC(F)(F)F)Cl	EMOLS-id_320439832,MCULE-8229946429	225.599	KEYIAQVUKPGZHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020656
Clc1c(CCC2(N)CC2)nc2n1CCC2	PC-id_105483591	225.718	SWUYQKFVGJNSHX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020657
Clc1nc2n(c1CCC1(N)CC1)CCC2	PC-id_105483592	225.718	QSNVUVNAETZVNK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020658
CC(C#C)NC1CCc2c1cc(s2)Cl	PC-id_114415629,EMOLS-id_266496236	225.738	ZJHJVFWMLBJSSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020659
CC#CCNC1CCc2c1cc(s2)Cl	PC-id_115897036,EMOLS-id_114763893	225.738	AJWLELDGYGVZNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020660
Clc1c2CCCc2sc1C(C)(C)C#N	PC-id_84790760	225.738	KJMBCRJJTMGYKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020661
Clc1cc2c(s1)CCC2NCCC#C	PC-id_81252078,EMOLS-id_266496160	225.738	LBPXGPQABYKCFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020662
C1C=C(C2=CC(=CN21)Br)C(=O)[O-]	PC-id_149158529	225.951	FFHPWJCBHANEPW-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-020663
CC1=CSC2=C1C(=C(C#N)C#N)C(=C)C2=O	PC-id_155268158	226.02	WOWGVTBTUHREQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020664
C/C=C/1C(=C(C#N)C#N)C2=CSC=C2C1=O	PC-id_147499833	226.02	FHEQDYGUXBQGDX-KRXBUXKQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020665
C/C=C
/C(=C(C#N)C#N)C2=CSC=C2C1=O	PC-id_147499834	226.02	FHEQDYGUXBQGDX-WAPJZHGLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020666
C/C=C
/C(=C(C#N)[N+]#[C-])C2=C(C1=O)SC=C2	PC-id_165077888	226.02	DJJAVTUUKVCFKK-VLQQCUTPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020667
C/C=C
/C(=C(/C#N)[N+]#[C-])/C2=CSC=C2C1=O	PC-id_161591192	226.02	RNJIDADITUBYGU-NNLZZCHTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020668
C/C=C
/C(=C(C#N)[N+]#[C-])C2=CSC=C2C1=O	PC-id_165051702	226.02	RNJIDADITUBYGU-BIWXLYNVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020669
C1=C(C2=NC=NN2N1)/C=C/C=NN4C3=NC=N4	PC-id_155214607	226.072	IUDJYSIHEVSKMJ-XFSBKJJWSA-N	00000000100000000001000110000000000000000000000000000000	25-01-020670
Brc1cnn2CCC(CC#N)c12	EMOLS-id_324139320	226.073	OVSSDVVYHVNMSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020671
Brc1n2CCCc2nc1CC#N	PC-id_84790813	226.073	KOLZRWIVNJOXOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020672
Brc1nc2n(CCC2)c1CC#N	PC-id_84790812	226.073	DTXSISMBROZBKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020673
CCOC(=O)C1=NN2CC(OC2=C1)CCO	PC-id_152190577	226.095	VTEBCHFIOUNNOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020674
C1CC2=C(C=CN2C1)C(=O)NC3=CC=CC=C3	PC-id_154492217	226.111	UIRNMFWFWXLPFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020675
Brc1c2c(n(c1)C)CC(=C2)CC	PC-id_68461008,SCHEMBL2969337	226.113	RXJXUYUMQABNLQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020676
Brc1n(c2CC(=Cc2c1)CC)C	PC-id_68457861,SCHEMBL2960314	226.113	ZHOBSYUOXPMVRT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020677
BrCc1[nH]c2CC(=Cc2c1)CC	SCHEMBL6056025,PC-id_69649752	226.113	PDGJLCAFBPPNFL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020678
CNN1CC(C2=C1N=CN2C)CC(CO)O	PC-id_153870920	226.143	JEGINLNFZWRZHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020679
Cn1c2c(CC(C2)(F)F)c(n1)C(F)(F)F	PC-id_90167789,SCHEMBL15730339	226.147	ONWXGJXIDPMHNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020680
Cn1c2c(CCC2(F)F)c(n1)C(F)(F)F	SCHEMBL15730598,PC-id_90167990	226.147	VSCGAQYEYFUQPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020681
Cn1c2c(c(n1)C(F)(F)F)C(CC2)(F)F	PC-id_90167574,SCHEMBL15730097	226.147	RWHDORCBVVIVIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020682
c1(N(=O)=O)nn2c(OC(COCC=C)C2)n1	MCULE-5037202584,EMOLS-id_177520041,PC-id_2842804,ChEMBL-DNDi_CHEMBL5348120	226.189	XCIGYDSRMPHJCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020683
C=CCOC[C@H]1Cn2nc([N+](=O)[O-])nc2O1	ZINC22_2870929,PC-id_2223627	226.189	XCIGYDSRMPHJCR-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020684
C=CCOC[C@@H]1Cn2nc([N+](=O)[O-])nc2O1	ZINC22_2870930,PC-id_2223628	226.189	XCIGYDSRMPHJCR-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020685
s1c2c(nc1C)C(=O)N(C2=O)CC(=O)O	PC-id_82647035	226.209	FLYNLWZDFNKMDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020686
CC(=O)Nc1nn(c2c1CNC2(C)C)P	PC-id_145072794	226.215	XOAMDYGMSRTMAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020687
p12C[N+](=Cc1cpc2C)C(CC)CC	PC-id_23380150	226.215	YTSBUTYBHNTZKS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020688
OC1c2n(CC1)cc([N+](=O)[O-])c2COCC	PC-id_85843054	226.229	HPDPWCVWIUHAEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020689
O(C(C)(C)C)C(=O)N1Cc2[nH]oc(=O)c2C1	PC-id_83850058	226.229	HLRKYLBSYNNJNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020690
N1(Cc2ccccc2)C(=O)c2c(c[nH]c2)C1=O	MCULE-3262204761	226.231	AVTZGILKNPIPGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020691
O=C1N(Cc2ccccc2)C(=O)c2n1ccc2	PC-id_26793318	226.231	YHSNITUOABPMCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020692
O=C1NC(=O)c2c1cn(Cc1ccccc1)c2	PC-id_12958500	226.231	IYRDYNMLLKKHKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020693
CC(Nc1n2CCCn2c(=O)c1[N+](=O)[O-])C	SCHEMBL2928777,PC-id_23104199	226.232	BCJUDIAMFHYMLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020694
CCOC(=O)OC1N(Nc2cc(nn12)C)C	PC-id_136475644	226.232	LWRYMLSXGSFECB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020695
CC1=Nc2ncnn2/C/1=N/Nc1ccccc1	NSC372336,ZINC22_17142210,CoCoCo_5630003	226.237	YXFCCJWSEIKWNA-MHWRWJLKSA-N	00000011100000110001000010000000000000000000000000000000	25-01-020696
CC1=Nc2ncnn2/C/1=NNc1ccccc1	ZINC22_103847645,CoCoCo_5630004,PC-id_5384986	226.237	YXFCCJWSEIKWNA-YBEGLDIGSA-N	00000011100000110001000010000000000000000000000000000000	25-01-020697
n12ncnc1N=C(C2=NNc1ccccc1)C	PC-id_5464875	226.237	YXFCCJWSEIKWNA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-020698
c1(C(=O)OC)c2C(C)CCc2n(CCF)n1	EMOLS-id_330994672,MCULE-5383215334	226.247	BHFSJRUNFFVPFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020699
c1(C(=O)OC)c2C(C)CCc2nn1CCF	EMOLS-id_330977713,MCULE-2155695830	226.247	HPCPVHFRZJNQGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020700
s1c2C(C(Cc2cc1)CC(=O)O)C(=O)O	PC-id_13553023	226.249	PWEWVAUYWAIWDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020701
s1c2CC(C(c2cc1)C(=O)O)CC(=O)O	PC-id_86144728	226.249	OIJPUPSWDRAPSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020702
c1(C(=O)N(C)C)c2CNCc2nn1CCF	MCULE-9591982608,EMOLS-id_324350313	226.251	JUAUXOKWYPVMJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020703
c12c(CCC1C(=O)O)sc(NC(=O)C)n2	MCULE-1415514954,EMOLS-id_42771821,PC-id_49657933	226.252	OVIKNVWLRJDMGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020704
c1(C(=O)N)c(N)sc2CC(C(=O)O)Cc12	PC-id_102568739,EMOLS-id_50379829,MCULE-4927252381	226.252	LTPFBTQWSGUCNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020705
c1(C(=O)NC)sc2CCCc2c1N(=O)=O	MCULE-1336376611,EMOLS-id_330872641	226.252	UEYPBVCPZSGBMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020706
CCOC(=O)C1Cc2c(C1=O)sc(n2)N	PC-id_59549555,SCHEMBL13125913	226.252	LWTBOTRXJSPKTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020707
CCOC(=O)/C=c
/sc2=NCCn2c1=O	CoCoCo_1783640	226.252	ARQXYDLGZDPYOB-AATRIKPKSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020708
CCOC(=O)/C=c/1sc2=NCCn2c1=O	PC-id_745472,ZINC22_13115987,EMOLS-id_45930174,SPECS-id_AG-227/37394024,CoCoCo_1783641	226.252	ARQXYDLGZDPYOB-WAYWQWQTSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020709
CC(=O)Nc1nc2[C@@H](CCc2s1)C(=O)O	EMOLS-id_337392209,PC-id_52194716,ZINC22_43830592	226.252	OVIKNVWLRJDMGL-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020710
CC(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)O	PC-id_52194714,ZINC22_43830588	226.252	OVIKNVWLRJDMGL-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020711
COC(=O)C(=O)Nc1sc2c(n1)CCC2	PC-id_112616946,EMOLS-id_107649676	226.252	KJHLHUGBDXZYGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020712
n12CCN=c1sc(=CC(=O)OCC)c2=O	MCULE-5558482828,PC-id_659719,ChEMBL-DNDi_CHEMBL1407807	226.252	ARQXYDLGZDPYOB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020713
n1n2CCSc2cc1C(=O)CC(=O)OC	MCULE-2155366936	226.252	UZHJSCKQALYTRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020714
NC(=O)c1c(N)sc2c1C[C@@H](C(=O)O)C2	PC-id_99996026,ZINC22_217899923	226.252	LTPFBTQWSGUCNW-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020715
NC(=O)c1c(N)sc2c1C[C@H](C(=O)O)C2	ZINC22_217899861,PC-id_99996023	226.252	LTPFBTQWSGUCNW-VKHMYHEASA-N	00000010100000000000000010000000000000000000000000000000	25-01-020716
NC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_37532219,PC-id_43145459	226.252	JSGKISPDRFIDDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020717
O=C(C(=O)O)NCc1sc2c(n1)CCC2	EMOLS-id_266497038,PC-id_83623321	226.252	PZRJXWQEYKCONC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020718
OC(=O)CC(=O)Nc1sc2c(n1)CCC2	PC-id_62232325,EMOLS-id_38856341	226.252	NSYNONWWBGJRKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020719
S1CCn2c1nc(c2C=O)C(=O)OCC	PC-id_82367464	226.252	AMOKYRHJBWSVDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020720
s1c(nc2c1C(=O)N(OC)C2=O)C(C)C	PC-id_15672448	226.252	HAXXQZNFLOAMHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020721
N#CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111636469	226.256	PPQQCICGIINYGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020722
O=S(=O)(n1cc2c(n1)CN=C2)N1CCC1	PC-id_141414357	226.256	NXSDOPMQXKAVHL-UHFFFAOYSA-N	00001011100000000001000010000000000000000000000000000000	25-01-020723
C1Cc2c(C1)n(nc2C=O)Cc1ccccc1	PC-id_88685811,SCHEMBL10885814	226.274	GZWQSKPYUAVIKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020724
c1ccc(cc1)CON=C1CCn2c1ccc2	MCULE-9570658682,EMOLS-id_44522154,PC-id_71899674	226.274	GTMAEGSJXGNUQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020725
c1ccc(cc1)CO/N=C/1CCn2c1ccc2	PC-id_97015588	226.274	GTMAEGSJXGNUQU-FYWRMAATSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020726
c1ccc(CO/N=C/CCn3cccc23)cc1	PC-id_75362261,ZINC22_84539354	226.274	GTMAEGSJXGNUQU-SQFISAMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020727
O1C(c2n(/C/1=C/c1ccccc1)ccn2)CC	PC-id_44557762	226.274	IUTWYNBBXMKZBD-RAXLEYEMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020728
O1C(c2n(C1=Cc1ccccc1)ccn2)CC	PC-id_75069109	226.274	IUTWYNBBXMKZBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020729
o1nc2CCCc2c1N=Cc1ccc(cc1)C	PC-id_58664491	226.274	BANFSALSKKJKBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020730
O=C1c2n(CC1)c(CNc1ccccc1)cc2	PC-id_56690762	226.274	BTDWQPVUFJZFRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020731
O=Cc1c2CCCc2nn1Cc1ccccc1	EMOLS-id_178071723,MCULE-4430476461	226.274	CZUSWEIUZFLORY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020732
O=C(c1ccc2n1CCC2N)c1ccccc1	PC-id_59809871,SCHEMBL13653082	226.274	HVLIFLJACLUQDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020733
O=C(c1cc(n2c1NCC2)C)c1ccccc1	PC-id_102242062	226.274	SXNVYAGLCZTQSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020734
O=C(n1nc2c(c1C)CCC2)c1ccccc1	PC-id_101242868	226.274	OFKLLGONRORRNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020735
O=C(n1nc(c2CCCc12)C)c1ccccc1	PC-id_12139264	226.274	UFQDAAJUYYIBSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020736
O/N=C
/C(Cn2c1ccc2)Cc1ccccc1	PC-id_45035911	226.274	DNNGXJNEYYKDTO-PFONDFGASA-N	00000010100000110000000010000000000000000000000000000000	25-01-020737
ON=C1C(Cn2c1ccc2)Cc1ccccc1	PC-id_75086353	226.274	DNNGXJNEYYKDTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020738
S=C1n2c(C(=S)N1CC(=O)O)ccc2	PC-id_14955412	226.275	DZGYNZACBMCRAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020739
Cc1nn2c(c1)N=NC2CCc1ccccc1	SCHEMBL9430526,PC-id_67850081	226.277	MONDLAKTXPVVIC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-020740
CC(=Cc1c2CCCn2nc1)c1nccnc1	PC-id_136551697	226.277	POUBODSLWBFBLZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-020741
c1(C(=O)OCC)c2CCCc2sc1OC	EMOLS-id_331059494,MCULE-3785755074	226.292	RAGRMQWRAGZSGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020742
CC(Oc1c(sc2c1CCC2)C(=O)O)C	PC-id_19374955,SCHEMBL9136387	226.292	RJYUSPSGHJZHBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020743
CC(O)(Cc1cc2CCCc2s1)C(=O)O	MCULE-7066249407,EMOLS-id_313791180	226.292	ZFJRCOXEPMQPQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020744
COC(Cc1cc2CCCc2s1)C(=O)O	EMOLS-id_313792460,MCULE-3848574395	226.292	RHQWDOCOHQHMAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020745
COC(=O)c1sc(c2c1CCC2)C(O)C	SCHEMBL13857963,PC-id_71014121	226.292	CCYDXLCXUPOUTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020746
COC(=O)C[C@H](O)c1cc2CCCc2s1	EMOLS-id_313793996,MCULE-7456734280	226.292	JVEYSPDFJAUWLE-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020747
COC(=O)C[C@@H](O)c1cc2CCCc2s1	MCULE-1703492095,EMOLS-id_313794252	226.292	JVEYSPDFJAUWLE-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020748
COC(=O)CC(O)c1cc2CCCc2s1	EMOLS-id_313793740,MCULE-8155965867	226.292	JVEYSPDFJAUWLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020749
COC(=O)C(O)Cc1cc2CCCc2s1	MCULE-1200302573,EMOLS-id_313793484	226.292	PCQPDEPUGOKWMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020750
OCCc1sc(c2c1CCC2)C(=O)OC	PC-id_71014113,SCHEMBL13857934	226.292	FGQKPZYJYQNHNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020751
OC(=O)c1cc2c(s1)C(OC2(C)C)(C)C	PC-id_79917447,EMOLS-id_107560083	226.292	YHFHUNHQZWYPNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020752
OC(=O)c1csc2c1C(C)(C)OC2(C)C	PC-id_83234680,EMOLS-id_107670308	226.292	JZOZDCQGXZWNHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020753
s1c2c(C(O)(CC2)CC(=O)O)cc1CC	PC-id_83911272	226.292	LNWDHOLYWYXRHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020754
s1c2c(C(O)(CC2)C(=O)O)cc1C(C)C	PC-id_83911276	226.292	GZWTXWVWACSJHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020755
s1c2c(C(OC(C)C)(CC2)C(=O)O)cc1	PC-id_84690557	226.292	WXURMEQSBWRKSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020756
s1c2C(O)(CCc2cc1CC)CC(=O)O	PC-id_83911270	226.292	SJHFIFBLJAKVOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020757
s1c2C(O)(CCc2cc1C(C)C)C(=O)O	PC-id_83911274	226.292	DAJYUNQSQJNOOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020758
S1Cc2c(c(oc2C1)C(C)(C)C)C(=O)O	PC-id_84791013	226.292	NWUKLRPIVHMUID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020759
S1Cc2c(c(oc2C1)C(C)C)CC(=O)O	PC-id_84791014	226.292	BHEVWKGHGUXXSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020760
S1(=O)(=O)C(c2c(C1)coc2)CCCC=C	PC-id_85626778	226.292	NRNFNFCBJXNLGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020761
S(c1oc(c2CCCc12)C(=O)OCC)C	PC-id_23255507	226.292	WKIOZTPQVDTWJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020762
c12CN(Cc1sc(N)c2C(=O)OCC)C	PC-id_58116949,EMOLS-id_331066919,SCHEMBL12908871,MCULE-8773367291	226.295	UMZHMCFCGRFHIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020763
c12CN(Cc1sc(OC)c2C(=O)NC)C	MCULE-3903572542,EMOLS-id_331066151	226.295	MGFMEXMBLFSOHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020764
c1(C(=O)OC)c2CSCc2nn1CCC	EMOLS-id_324396890,MCULE-6591271076	226.295	RKGWOEQCIVOOGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020765
c1(C(=O)OCC)c2CSCc2nn1CC	EMOLS-id_324398938,MCULE-7423762207	226.295	PTUWLEJOTSQDRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020766
c1(C(=O)OCC)sc2CN(Cc2c1N)C	MCULE-7059340729,EMOLS-id_330873413	226.295	YFCPLOOLLJNZJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020767
c1(NC(=O)CCOC)sc2c(CCC2)n1	MCULE-2442877047,EMOLS-id_334662617	226.295	FBMYVNFBMNMZDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020768
CC(C)(C)OC(=O)N1Cc2ncsc2C1	ZINC22_95725471,MCULE-8672673680,EMOLS-id_46017100,PC-id_86222778	226.295	QYXDOKDBQSQORZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020769
CC(Cn1nc2c(c1C(=O)O)CSC2)C	PC-id_105484028	226.295	SXFXYVRIJPPZSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020770
CC(Cn1nc(c2c1CSC2)C(=O)O)C	PC-id_105484024	226.295	WYEVLZHRKCTTGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020771
CCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_107772018,PC-id_104287429	226.295	JPYYNBOEJPNEHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020772
CC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287439,EMOLS-id_107455609	226.295	GIJNGGOSCXZWSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020773
CCN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104287797,EMOLS-id_107621333	226.295	QXKCLYBPUSBCKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020774
CCOCC(=O)Nc1sc2c(n1)CCC2	PC-id_4089610,EMOLS-id_37362887	226.295	ZSJKSFHRVLTLLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020775
CCOC(=O)C1CCc2c1nc(s2)NC	PC-id_104287104	226.295	GWJVAWONSKPBDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020776
CCOC(=O)c1[nH]c(=S)n2c1C(C)CC2	SCHEMBL21135821,PC-id_139293344	226.295	JGSCDUMYHXOJGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020777
CCOC(=O)Cc1[nH]c(=S)n2c1CCC2	PC-id_101769226	226.295	GWIBBPOYBZYJPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020778
CCOC(=O)CSc1cn2CCCc2n1	MCULE-8633486075,ChEMBL-DNDi_CHEMBL4286-0282,CoCoCo_618398,SPECS-id_AH-262/34642003,STOCK3S-05522,CHEMBL1485067,EMOLS-id_2013735,ZINC22_241672,PC-id_765799,CK1921410	226.295	RBOMGFFUDVBESU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020779
CC(OC(=O)Nc1sc2c(n1)CCC2)C	PC-id_116654776	226.295	WLVINPGCADDCFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020780
CN(Cc1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_107265101,PC-id_104287261	226.295	XLWQYNNXWJKQAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020781
COC(=O)NCCc1nc2CCCc2s1	PC-id_110459477,MCULE-5189527005,EMOLS-id_181135919	226.295	MBAMJCMBXYTVSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020782
n1c2CCCc2sc1[C@@H](N)CCC(=O)O	PC-id_82679586,MCULE-4211776068	226.295	MFLIJLZODJLYTI-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020783
OCCCC(=O)Nc1sc2c(n1)CCC2	PC-id_79192234,EMOLS-id_42104150	226.295	RLHKIXUJVBFTRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020784
O=C(C(O)(C)C)Nc1sc2c(n1)CCC2	PC-id_103429702	226.295	LXAVRVIAZKTVMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020785
OC(=O)c1c2CSCc2nn1C(C)(C)C	PC-id_105484027	226.295	GJYQAGKAGCXWQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020786
OC(=O)c1nn(c2c1CSC2)C(C)(C)C	PC-id_105484023	226.295	ANQHLMXLFMGRGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020787
OC(=O)c1sc2c(n1)CN(C2)C(C)(C)C	PC-id_18442837,SCHEMBL12631317	226.295	BNTGXKOLNCIADB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020788
OC(=O)C(N(c1sc2c(n1)CCC2)C)C	PC-id_83839864,EMOLS-id_313619117	226.295	JJXSXLBNXAGTLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020789
OC(=O)CSc1nc2c([nH]1)CCC2(C)C	PC-id_80129075,EMOLS-id_107334227	226.295	YQXKBOQZPAPBLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020790
s1c2c(CCC2)c(c1NN)C(=O)OCC	PC-id_82056534	226.295	FFCTXDMNJQVWTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020791
s1c2CCCc2nc1CC[C@H](N)C(=O)O	PC-id_82679587	226.295	MFCKXXPVPQFMIY-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020792
s1c2CCCc2nc1NCCCC(=O)O	PC-id_83839867	226.295	WWEIQTAHBOJCBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020793
s1c2CCCc2nc1NC(C)(C)C(=O)O	PC-id_83839868	226.295	RBJDZNJDNXIEQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020794
s1c2CCCc2nc1N(CCC(=O)O)C	PC-id_83839865	226.295	DJOJFEWHMAFKFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020795
S1c2n(c(CCCC(=O)O)c(n2)C)CC1	PC-id_83892573	226.295	REVMHHXRNXPSPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020796
S1c2n(c(c(n2)CC(C)C(=O)O)C)CC1	PC-id_83892574	226.295	ZUDMKHDPFCIISG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020797
S1c2n(c(c(n2)CCCC(=O)O)C)CC1	PC-id_83892575	226.295	GZJXXXCYVPMHNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020798
S1c2n(c(c(n2)C(CC(=O)O)C)C)CC1	PC-id_83892576	226.295	QKWXPQXQQHIZSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020799
S1Cc2c(noc2NC(=O)CCCC)C1	PC-id_49719017	226.295	HLYPNWGAWWGDPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020800
S1Cc2c(noc2NC(=O)CC(C)C)C1	PC-id_49719018	226.295	AITNTFUWVGMSIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020801
S1Cc2c(onc2C1)NC(=O)C(C)(C)C	PC-id_49720067	226.295	DYHKEIXNUBLYSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020802
S1(=O)(=O)N=C(C(C)(C)C)c2n(ccc12)C	PC-id_21048537	226.295	PKIKVOMWDRYWQC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020803
c1(NC(=O)CC(C)C)nnc2SCCn12	BindingDB_PC-id_16031314,ZINC22_8600495,ChEMBL-DNDi_CHEMBLF2079-0007,CoCoCo_2590453,EMOLS-id_16349327,PC-id_16031314,MCULE-4972606593	226.299	ONMIHAIKNBLEMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020804
c1(NC(=O)CCCC)nnc2SCCn12	ChEMBL-DNDi_CHEMBLF2079-0005,MCULE-8656964542,ZINC22_21651425,CoCoCo_2590451,EMOLS-id_16349323,PC-id_22582928	226.299	JMPXBACLKCIMGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020805
c1(nnc2SCCn12)NC(=O)C(C)(C)C	PC-id_16031312,CoCoCo_2590452,EMOLS-id_16349325,ChEMBL-DNDi_CHEMBLF2079-0006,MCULE-4471960189,CHEMBL1434004,ZINC22_8600493	226.299	XCFMNOSTVBJLQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020806
s1c2CN(Cc2nc1N)CC(=O)N(C)C	PC-id_82194342	226.299	CRQZRYNMPSIKFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020807
s1c2CNCc2nc1NC(=O)NCCC	PC-id_82194104	226.299	DAILTSJSPZAKEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020808
s1c2CN(Cc2nc1N)C(=O)NCCC	PC-id_82194215	226.299	TZBJKMGSMGWURW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020809
[Si](c1oc(OC)c2c1COC2=O)(C)(C)C	PC-id_11436076	226.301	UHRNBDJJNSRLJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020810
NCCC1N=Nc2n1nc(c2N)SCC	PC-id_145844616	226.302	ZJONMVAZFMRVAY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020811
CC(=O)c1sc2c(c1C(=O)C)CSC2	SCHEMBL18084973,PC-id_122547564	226.315	IEGXANDNBPEKII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020812
S1C(C(C)C)C(=O)c2c1sc(c2)C=O	PC-id_82391473	226.315	LOXGXZPXXAQZHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020813
c12C(C)CCc1nn(Cc1ccc(cc1)C)c2	EMOLS-id_331001251,MCULE-2001282984	226.317	ISOFGAFJZFFQBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020814
c12C(C)CCc1nn(Cc1ccccc1C)c2	MCULE-7075285969,EMOLS-id_331001515	226.317	BFEVKODAICLSBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020815
c12C(C)CCc1nn(Cc1cccc(C)c1)c2	EMOLS-id_331001260,MCULE-8473331136	226.317	URBUZEMRCYVIPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020816
CC1CCc2c1cnn2Cc1ccccc1C	EMOLS-id_331015662,MCULE-8209446174	226.317	ZWFYJYYAJVHMQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020817
CC1CCc2c1cnn2Cc1cccc(C)c1	EMOLS-id_331015407,MCULE-9191577853	226.317	NSXBOZLZIHHBQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020818
CC1CCc2c1cnn2Cc1ccc(C)cc1	MCULE-4489463420,EMOLS-id_331015398	226.317	JDSQTDGINVPSMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020819
CC(C)(c1n[nH]c2CCCc12)c1ccccc1	EMOLS-id_337935634	226.317	DHQCXRBKLTYWMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020820
n12c(CCC1)c(c(c2C)C#N)C#CCCCC	PC-id_11148851	226.317	JHXIAPDDRADSSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020821
CCCCCCC1(C)Oc2c(O1)csc2	PC-id_141319828	226.335	DHMWVIVFASAMFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020822
CCCCCCc1scc2c1OC(O2)C	PC-id_141746547	226.335	ZIDBPBADPLEQKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020823
CCCOCC(c1sc2c(c1)CCC2)O	PC-id_115818821	226.335	SYAZQDNHRRJKAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020824
CC(OCC(c1sc2c(c1)CCC2)O)C	PC-id_115821377	226.335	CWOQNNFXPYLNMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020825
COCCCC(c1sc2c(c1)CCC2)O	PC-id_115839493	226.335	RRQAXWQREQKIFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020826
c1(C(C)(COC)NC)sc2c(CCC2)n1	MCULE-9729963676,PC-id_62536662,EMOLS-id_39145506	226.338	UWIMNRSUHUJPSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020827
CC(c1nc2c(s1)C(OC2(C)C)(C)C)N	EMOLS-id_313556096,PC-id_79917844	226.338	HRTIJHAJBVIKHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020828
CC(CCNCc1sc2c(n1)CCC2)O	PC-id_109948593	226.338	ICMQNPZZMOUNMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020829
CC[C@@H](NCc1sc2c(n1)CCC2)CO	PC-id_103924430	226.338	BRBKFAWRXWEWQL-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020830
CC(CNC(c1sc2c(n1)CCC2)C)O	PC-id_110017266	226.338	NXVJWSSJXPMUFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020831
CCC(NCc1sc2c(n1)CCC2)CO	PC-id_115887220	226.338	BRBKFAWRXWEWQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020832
CC(CNCc1sc2c(n1)CCC2)(O)C	PC-id_115887486	226.338	VDUPXFRNPXNHAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020833
C[C@@H](CNC(c1sc2c(n1)CCC2)C)O	PC-id_103960965	226.338	NXVJWSSJXPMUFR-JAMMHHFISA-N	00000010100000000001000010000000000000000000000000000000	25-01-020834
C[C@H](CNC(c1sc2c(n1)CCC2)C)O	PC-id_103960967	226.338	NXVJWSSJXPMUFR-GVHYBUMESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020835
CCNc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_314345469,PC-id_79915894	226.338	RJDCCDFFTRNWHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020836
CCOCC(c1sc2c(c1)CCC2)NN	PC-id_105321212	226.338	QJGGPAGCUQORIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020837
CCOCC(c1sc2c(n1)CCC2)(N)C	PC-id_116247833	226.338	PBQMWTPUHRFXNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020838
CCOCCNCc1sc2c(n1)CCC2	PC-id_115887294	226.338	ZXVAKNRWVDQTPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020839
CNCc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_313614334,PC-id_79916136	226.338	YYICYUIYEOPGMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020840
COCC(c1sc2c(n1)CCC2)(CC)N	EMOLS-id_40483366,PC-id_64397507	226.338	MNLAZCAPOFTIEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020841
COC(C(c1sc2c(n1)CCC2)(N)C)C	PC-id_116161193	226.338	RVVIWGYXTYFKKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020842
COCCC(c1sc2c(n1)CCC2)(N)C	EMOLS-id_38640893,PC-id_61871362	226.338	DXOHBFOVMSEYQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020843
COCC(C(c1sc2c(n1)CCC2)N)C	PC-id_116502409	226.338	XMWHHNUQJWRDDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020844
COCCCNCc1sc2c(n1)CCC2	PC-id_115887216	226.338	QPKGAQCKLDRLSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020845
COCCNc1nc2c(s1)CCC2CC	PC-id_116175996	226.338	PUSSBYDACXDEMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020846
COCCNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_42566859,PC-id_79864466	226.338	YSNAWZHGYRRBOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020847
COCC(NCc1sc2c(n1)CCC2)C	PC-id_115887209	226.338	POSBYOMQYPIWBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020848
n1c2CCCc2sc1C(C)NCCOC	EMOLS-id_39150885,PC-id_46784926,MCULE-3077989178	226.338	FDWUDIXCGBTUPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020849
NCCc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_313614078,PC-id_79916561	226.338	MFMHCKCUDMUBAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020850
OCC[C@H](NCc1sc2c(n1)CCC2)C	PC-id_103897219	226.338	XUMFTHZSRLFSBF-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020851
OCCC(NCc1sc2c(n1)CCC2)C	PC-id_109948615	226.338	XUMFTHZSRLFSBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020852
OCCCNC(c1sc2c(n1)CCC2)C	PC-id_110017267	226.338	BEGHHURGPRESKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020853
OCC(CNCc1sc2c(n1)CCC2)C	PC-id_115887323	226.338	YEDMZGHECQKSOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020854
OC[C@@H](NC(c1sc2c(n1)CCC2)C)C	PC-id_103874846	226.338	CTLVKKSKELDBNK-JAMMHHFISA-N	00000010100000000001000010000000000000000000000000000000	25-01-020855
OC[C@H](NC(c1sc2c(n1)CCC2)C)C	PC-id_103960943	226.338	CTLVKKSKELDBNK-GVHYBUMESA-N	00000010100000000001000010000000000000000000000000000000	25-01-020856
OCC(NC(c1sc2c(n1)CCC2)C)C	PC-id_109908793	226.338	CTLVKKSKELDBNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020857
OCC(NCc1sc2c(n1)CCC2)(C)C	PC-id_109948571	226.338	YEDIPIWXUJPJIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020858
OCCN(Cc1sc2c(n1)CCC2)CC	PC-id_109974006	226.338	VUAIYXHHSLHTKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020859
s1c2CN(CCCN(C)C)Cc2nc1N	PC-id_82194316	226.342	RITCJGWRYRCYLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020860
CSCCC(=O)c1sc2c(c1)CCC2	EMOLS-id_40320567,PC-id_64165361	226.358	DADJDCQVLVWODE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020861
CC(c1sc(c2c1N=S=N2)C(C)C)C	PC-id_89403436,SCHEMBL14682711	226.362	OPVJGNKXQXUKFR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020862
s1c2C(=C(C)C)C(=Cc2sc1=S)C	PC-id_85690233	226.381	WVSPMWRSQCEEHI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020863
CC1(C)Cc2c(S1)c(cs2)C(C)(C)C	PC-id_68062950,SCHEMBL10204226	226.401	AOUUYPFPGAZILY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020864
CCCCCCC1Sc2c(C1)csc2	SCHEMBL2693208,PC-id_67500685	226.401	BMXRKKCBFRDRNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020865
FC(F)(F)Cn1nc2COCc2c1Cl	MCULE-7313936484,EMOLS-id_324403028	226.584	QGBHPRQJPWSHTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020866
ClC(=O)c1c2CCCc2oc1C(C)(C)C	PC-id_83610538	226.699	JVAXQSNBUMKKHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020867
ClC(=O)Cc1c2CCCc2oc1C(C)C	PC-id_83610341	226.699	SNWDGIAOPNEJBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020868
ClC(=O)Cc1c2CCCc2oc1CCC	PC-id_83610413	226.699	OTIBEWQUWXQHHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020869
CC(C)(C)c1nn2CCCc2c1C(=O)Cl	EMOLS-id_337753472	226.703	GRIYZCZQVBCDKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020870
Clc1c2COCc2nn1CC1CCCC1	MCULE-7232392482,EMOLS-id_324401748	226.703	TXQSRRXZZIYJEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020871
Clc1cc2c(s1)CCC2NCCC#N	EMOLS-id_107508285,PC-id_81252047	226.726	UJGUBNHZHPWIMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020872
c12CCC(C)c1c(nn2C(C)CC)CCl	EMOLS-id_331028743,MCULE-7705543580	226.746	LUCHANSOVFYGHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020873
c12CCC(C)c1c(nn2C(CC)CC)Cl	MCULE-1719574386,EMOLS-id_330973951	226.746	YCEOWFJYPAZVFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020874
c12C(C)CCc1n(nc2Cl)CCC(C)C	MCULE-6896163020,EMOLS-id_330975485	226.746	VMSZSHUKBCADKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020875
c12C(C)CCc1nn(CCC(C)C)c2Cl	MCULE-6879075338,EMOLS-id_330957759	226.746	HWDAIFXXWDRGDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020876
c1(CCl)c2C(C)CCc2nn1C(C)CC	EMOLS-id_331009980,MCULE-5479215759	226.746	GZXYORBBDNOJNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020877
c1(Cl)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_330964144,MCULE-6036306948	226.746	RTDHBHCAQPEZMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020878
CC1CCc2c1c(CCl)nn2C(C)(C)C	MCULE-4328693042,EMOLS-id_331030278	226.746	GSFIZFIEURRFBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020879
CC1CCc2c1c(Cl)nn2CC(C)(C)C	EMOLS-id_330973439,MCULE-7401701141	226.746	SNDDQMKFCGZJSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020880
CC1CCc2nn(CC(C)(C)C)c(Cl)c12	EMOLS-id_330963888,MCULE-1561001419	226.746	MKUZUFHHMNSKPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020881
CC1CCc2nn(c(CCl)c12)C(C)(C)C	EMOLS-id_331011510,MCULE-3856220220	226.746	USOZQUGLABFSOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020882
CCCC(c1c(Cl)nc2n1CCC2)CC	SCHEMBL19055354	226.746	ITNIBWSIHPTHQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020883
CC(C)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960822,MCULE-2782825553	226.746	HCQVZCWBALZISK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020884
CC(C)C(C)n1nc(Cl)c2C(C)CCc12	EMOLS-id_330973695,MCULE-3902322214	226.746	CEKGOKMHOGHDGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020885
CC(C)Cn1nc2CCC(C)c2c1CCl	MCULE-4621404385,EMOLS-id_331012276	226.746	AORNKNDGAOXWDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020886
CC(C)Cn1nc(CCl)c2C(C)CCc12	EMOLS-id_331026949,MCULE-6332296538	226.746	YKRQELUERDJSLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020887
Clc1n(cc2C(CCc12)CCN)C(C)C	PC-id_83911293	226.746	UNPRFHAARJANQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020888
Clc1n(cc2C(CCc12)CNC)C(C)C	PC-id_83911294	226.746	KUHXSLMISNDHGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020889
C1=C2C(=CS1)C(=O)/C(=C/N)/C2=C(C#N)C#N	PC-id_163554737	227.015	FMBMGSOGMFJZSS-XVNBXDOJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020890
C1C(=O)Nc2c(c(nn12)C#N)Br	PC-id_137184845	227.018	IRLAPYIUFIFVMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020891
Brc1cc2n(C=CC2C(=O)[O-])c1	PC-id_20253917	227.035	AMRHNWKYEVFPAG-UHFFFAOYSA-M	00000011100000000000000010000000000000000000000000000000	25-01-020892
C1CNC2=NNC(=C21)C(C(F)(F)F)(F)F	PC-id_149884269	227.048	CDVMGMMVPKJIBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020893
CCOC(=O)C1(CCC2=C1NC(=O)S2)C	PC-id_154377389	227.062	CWIZURGBHWAXFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020894
C1CC2=C(C1)NN=C2C(=O)N3CC(C3)(F)F	PC-id_154807607	227.087	XQESYPNGDDVYLM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-020895
Brc1c2C(=CCc2oc1)CCC	SCHEMBL2959035,PC-id_68457392	227.098	JHFFBJMHUFNGPI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020896
Brc1c2c(oc1)CC(=C2)CCC	SCHEMBL2963110,PC-id_68458842	227.098	KCQVWKGZMKHXNZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020897
Brc1c2c(oc1)C(CCC)C=C2	PC-id_68462230,SCHEMBL2972621	227.098	GCNCUYHBOVWIAG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020898
Brc1oc2CC(=Cc2c1)CCC	PC-id_68459647,SCHEMBL2965403	227.098	XIPBIUGKCHKJLH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020899
Brc1oc2c(C(=CC2)CCC)c1	SCHEMBL2963176,PC-id_68458860	227.098	DBKOITQJPBHPRC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020900
Brc1oc2C(CCC)C=Cc2c1	PC-id_68461956,SCHEMBL2971964	227.098	LPVJENNUJXVCBD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020901
Brc1oc(c2CC=Cc12)CCC	PC-id_68458955,SCHEMBL2963483	227.098	DJVPZYNQBTTYOA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-020902
Brc1nn(c2CC=Cc12)CCC	PC-id_68461443,SCHEMBL2970583	227.101	ZPCQXWUFMKOLKV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020903
BrCC(=C)c1n[nH]c2CCCc12	MCULE-3485139214,EMOLS-id_313950404	227.101	LSHAHYGFYHEITK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020904
CCCC1Cc2c(C1)cc(s2)[B-](O)(O)O	PC-id_140599022	227.108	BCADKMUPXZPVTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020905
ClC1CC(Cl)c2sc(=O)sc12	PC-id_85690205	227.131	LJDWSKNGSFJPSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020906
O1C(Cn2c1nc([N+](=O)[O-])c2)CNC(=O)[O-]	PC-id_23081647,SCHEMBL5537429	227.154	LPRFWBJOQJCAFZ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-020907
C1Cc2nc(nn2C1)C(=O)C1CC(C1)(F)F	SCHEMBL20645917,PC-id_137412508	227.211	OORKOPDTZLBYAQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-020908
C[C@H]1CC(c2nc(nn12)C(=O)C1CC1)(F)F	PC-id_137412547,SCHEMBL20645959	227.211	WXKWXZWXGAKEJP-YFKPBYRVSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020909
O=C([C@H]1C[C@@H]1C(F)F)N1CCn2ccnc12	ZINC22_857907663,EMOLS-id_313143876,MCULE-8654186405	227.211	RQALULYZAYTHHX-BQBZGAKWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020910
O1c2c([nH]c(c2)C(=O)c2ccccc2)CC1=O	SCHEMBL7677178,PC-id_18424290	227.215	JKLALLADDWQZIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020911
O1C(=O)c2c(cn(Cc3ccccc3)c2)C1=O	PC-id_12958483	227.215	RMXANHSFNFRITE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020912
CCOC(=O)n1c(OC)nc2c1CN(C2)O	SCHEMBL17380140,PC-id_118613884	227.217	RQJFHNUUWSFPRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020913
O1C(C(C)C)(Cn2c1nc([N+](=O)[O-])c2)CO	PC-id_23081587,SCHEMBL5540714	227.217	HTQJHQATMGYFLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020914
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCCO)C	PC-id_23081484,SCHEMBL5543453	227.217	OMZNUPBSKGJTQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020915
O1C(Cn2c1nc([N+](=O)[O-])c2)COC(C)C	PC-id_468938	227.217	XRBPBOLVLSOSGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020916
Fc1c(C=C2Cn3c(C2=O)ccc3)cccc1	MCULE-4771858558,PC-id_45835651,EMOLS-id_26234502	227.234	OCODLGYECXRLAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020917
Fc1ccc(cc1)/C=C/1Cn2c(C1=O)ccc2	CoCoCo_4588816,PC-id_24239277	227.234	QONWUEKZNILKIB-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020918
Fc1ccccc1/C=C
/Cn2c(C1=O)ccc2	CoCoCo_4612565	227.234	OCODLGYECXRLAA-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020919
Fc1ccc(cc1)C=C1Cn2c(C1=O)ccc2	PC-id_45835624,MCULE-6746335959,EMOLS-id_26233099	227.234	QONWUEKZNILKIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020920
O=C1/C(=C/c2ccccc2F)/Cn2cccc12	PC-id_24244019,CoCoCo_4612564,ZINC22_25062390	227.234	OCODLGYECXRLAA-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020921
O=C1/C(=Cc2ccc(F)cc2)/Cn2cccc12	CoCoCo_4588817,PC-id_97743873,ZINC22_96941980	227.234	QONWUEKZNILKIB-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020922
c1(C(=O)NCC)c2COCc2nn1CCF	MCULE-5743163539,EMOLS-id_324402779	227.235	SLBBCDJSYVLTRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020923
CCC1CC(c2nc(nn12)C(=O)OCC)F	PC-id_137408295,SCHEMBL20641067	227.235	WJAONSITMZIQSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020924
CC(C)(Cn1cc2CN(Cc2n1)C(=O)O)F	SCHEMBL15152954,PC-id_89723619	227.235	OYQLFTGGXYTXFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020925
CC(C)CNC(=O)c1nn2CCOc2c1F	PC-id_91960114	227.235	CITVQJIGAMEDCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020926
CC[C@@H]1C[C@@H](c2nc(nn12)C(=O)OCC)F	SCHEMBL20641069,PC-id_137408297	227.235	WJAONSITMZIQSU-RQJHMYQMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020927
OC(=O)N1Cc2c(C1)cnn2CC(F)(C)C	PC-id_118472054,SCHEMBL17205525	227.235	OVYWNZDGWPPYIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020928
c12SCCn1c(c(C(=O)O)c2C(=O)O)C	MCULE-9370698690,EMOLS-id_5819024,PC-id_2821343,CK2077161	227.237	FOBCTCMUELFDTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020929
c1(C(=O)O)c(N)sc2CC(C(=O)O)Cc12	MCULE-1008451975,EMOLS-id_50379831,PC-id_102568740	227.237	JYBFIXQTJXZAJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020930
c1(C(=O)OC)sc2CCCc2c1N(=O)=O	EMOLS-id_330870849,MCULE-6816715906	227.237	ZKZLCKCXMZITSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020931
Fc1c(C#Cc2nnn3CCCc23)cccc1	PC-id_71747297	227.237	OGYUDRRPIFDBGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020932
Nc1sc2c(c1C(=O)O)C[C@@H](C(=O)O)C2	ZINC22_217900065,PC-id_99996031	227.237	JYBFIXQTJXZAJY-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020933
Nc1sc2c(c1C(=O)O)C[C@H](C(=O)O)C2	ZINC22_217900150,PC-id_99996033	227.237	JYBFIXQTJXZAJY-VKHMYHEASA-N	00000010100000000000000010000000000000000000000000000000	25-01-020934
OC(=O)c1c2CSCn2c(c1C(=O)O)C	PC-id_117059529	227.237	CQSHGQLNQRJCRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020935
c1(N(=O)=O)c2CN(Cc2sc1C(=O)N)C	EMOLS-id_330872392,MCULE-1348638234	227.24	VPIFEXKUGKEVDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020936
s1c2c(nc1N(C)C(=O)NC)C(=O)OC2	PC-id_71399097	227.24	UEXFFAYLNJUFML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020937
CCNc1c2CCCc2nn1P(=O)(C)C	SCHEMBL13145668,PC-id_58824835	227.243	RZOBVORYSRGWQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020938
CCNc1nn(c2c1CCC2)P(=O)(C)C	PC-id_58824813,SCHEMBL13145682	227.243	CRFUELTUSRFLLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020939
CC1CCc2c1c(N)nn2CC1CC1(F)F	EMOLS-id_330964726,MCULE-7507288279	227.254	LFZHGNHFJSKNOE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020940
CC1CCc2nn(CC3CC3(F)F)c(N)c12	EMOLS-id_331013795,MCULE-1757293346	227.254	CYXOLOFJJBFVJH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020941
C1Cc2cc(c(n2C1)C(=O)c1ccccc1)O	PC-id_136654685	227.259	KSDLTRQITBYQNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020942
c1(C(=O)c2ccccc2)c2CCCc2oc1N	PC-id_83447122,MCULE-8286486267	227.259	PLNOHNHEWNWCEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020943
Cc1ccccc1Cn1cc2c(c1)COC2=O	PC-id_102236445	227.259	UGSAWPVZWAAUAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020944
Cc1cccc(c1)Cn1cc2c(c1)COC2=O	PC-id_102236446	227.259	DBDCVPDAJVPTIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020945
Cc1ccc(cc1)Cn1cc2c(c1)COC2=O	PC-id_102236448	227.259	PNXGPGPYHLEICF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020946
n12CCC(O)c1ccc2C(=O)c1ccccc1	MCULE-1289455573,EMOLS-id_48878350,SCHEMBL10024799,PC-id_57357558	227.259	PPQHNULBCSHICE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020947
o1c2CN(Cc2cc1C=O)Cc1ccccc1	PC-id_83487009	227.259	VPRPKUFAOTUKHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020948
O=C1Cc2n(C1C(c1ccccc1)O)ccc2	PC-id_142674017	227.259	JHNNTCCGUVYRHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020949
Oc1ccccc1C(=O)c1ccc2n1CCC2	PC-id_102153276	227.259	PYHITTPSMWGFCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020950
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2O	PC-id_76963070,ZINC22_67665120	227.259	PPQHNULBCSHICE-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020951
O=C(c1ccccc1)c1ccc2n1CC[C@H]2O	ZINC22_67665121,PC-id_76963069	227.259	PPQHNULBCSHICE-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020952
O=C(c1cn2CCCc2c1)c1c(O)cccc1	PC-id_76764509	227.259	FMBJAZAIIZNAQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020953
c1(C(=O)c2ccccc2)n2CCCc2nc1N	BindingDB-id_118590,ZINC22_210972,BindingDB_PC-id_755897,MCULE-4431768062,CHEMBL1371445,CoCoCo_6206023,EMOLS-id_2015280,PC-id_755897,STOCK1S-93268	227.262	VVEDXIBGXSGGQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020954
c1(C(=O)Nc2ccccc2)c2CCCc2[nH]n1	MCULE-1094754605,EMOLS-id_179744694,PC-id_110388876	227.262	VSISXNWEMOWWHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020955
c1(C(=O)Nc2ccccc2)cn2c(CCC2)n1	EMOLS-id_321295832,MCULE-6587983358	227.262	GZOSYOAORIPMAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020956
Cc1nn2c(c1)N(CC2)C(=O)c1ccccc1	PC-id_58440770,SCHEMBL12307389	227.262	WUPGBQJPTIDVGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020957
O=C1Nc2c(C1)n(c(n2)C)Cc1ccccc1	PC-id_96602608	227.262	VLIJAZXKRHUGAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020958
O=C1NCc2c1c(C)nn2Cc1ccccc1	PC-id_110171007	227.262	RPIYHGJBYMQRIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020959
O=Cc1n[nH]c2CN(Cc12)Cc1ccccc1	PC-id_83870767	227.262	WYKNILTWEJKIGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020960
O=C(N1Cc2c(C1)c([nH]n2)C)c1ccccc1	SCHEMBL17232769,PC-id_118491734	227.262	KPEUXYUVMUKXAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020961
O=C(Nc1n[nH]c2CCCc12)c1ccccc1	PC-id_9877933	227.262	BHHAAIIMYDESNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-020962
n12CCCc1c(c(/N=C/N(C)C)c2C#N)C#N	PC-id_13573946	227.265	VVEASWQTLDWLJY-OVCLIPMQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020963
c12CN(Cc1sc(OC)c2C(=O)OC)C	MCULE-5075311733,EMOLS-id_331063591	227.28	UTSNGVQQZLEBAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020964
C1CCC(OC1)OC1COc2c1scn2	SCHEMBL17340982,PC-id_118580379	227.28	POCUDNZAJGJTOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-020965
c1(C(=O)OCC)c2CNCc2sc1OC	EMOLS-id_331065387,MCULE-4631743785	227.28	DFXDQWDHJJTJEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020966
CC[N+]1(Cc2c(C1)sc(c2)C(=O)OC)[O-]	PC-id_135085658	227.28	HNCNEQSWQAQDCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020967
CC(=O)c1c(n2c(c1O)CSC2(C)C)O	PC-id_136593702	227.28	JODMHRKWQHRLAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020968
CCOCc1nc2c(s1)CCC2C(=O)O	EMOLS-id_313577011,PC-id_104287235	227.28	RHRLRGNRSDUDOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020969
CCOC(=O)C1CCc2c1nc(s2)CO	PC-id_104287223	227.28	MOLWNNZZRSYSIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020970
CCOC(=O)c1c(N)sc2c1C(C)OC2	PC-id_67300690,SCHEMBL2162281	227.28	KLJKYVDLSMWVDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020971
COC(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104287302,EMOLS-id_107708443	227.28	YPJKKEHSXLOHFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020972
COCCc1nc2c(s1)CCC2C(=O)O	PC-id_104287246	227.28	LMNREVCVXQRQFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020973
COC(=O)Cc1sc2c(n1)C(OC2)(C)C	EMOLS-id_107734156	227.28	BOCGTKQTUFHQCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020974
NC(C(O)c1cc2CCCc2s1)C(=O)O	MCULE-3872964967,EMOLS-id_313839030	227.28	VILPNOCAPLQXKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020975
OC(=O)c1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79915667,EMOLS-id_107537733	227.28	DZZBJMHHZZXYOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020976
OC(=O)C(c1sc2c(n1)C(OC2)(C)C)C	EMOLS-id_266505787	227.28	LVQMDDBXDBYSJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020977
OC(=O)CCCn1c(=O)sc2c1CCC2	PC-id_16768221,EMOLS-id_37339975	227.28	BEEDQUZEDQOQNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020978
OC(=O)Cn1c(=O)sc2c1C(C)(C)CC2	PC-id_79856301,EMOLS-id_42569289	227.28	MLBYRECWKFHYMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020979
s1c2CCCc2nc1C(O)CCC(=O)O	PC-id_84735932	227.28	ZVIBXBKNZGHLAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020980
S1(=O)(=O)N=C(C(C)(C)C)c2oc(cc12)C	PC-id_21048582	227.28	DHPYZBHDIUCXRL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-020981
O=C1/C(=Cc2ccccc2)/Sc2cc[nH]c12	LI_151989,CoCoCo_5494660,ZINC22_1601582	227.282	KQCXLNZGVDLLSJ-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020982
O=C1/C(=C/c2ccccc2)/Sc2cc[nH]c12	PC-id_6279444,NSC157820,CoCoCo_5494659,ZINC22_1601583	227.282	KQCXLNZGVDLLSJ-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020983
O=C(c1cc2c(s1)N=CC2)c1ccccc1	SCHEMBL10818677,PC-id_70450870	227.282	HVIYLTZXOPAPKP-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-020984
O=C(C1C=Nc2c1ccs2)c1ccccc1	SCHEMBL10818680,PC-id_70450871	227.282	VBZFBJIGZYCFKG-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-020985
s1c2CC(=Cc3cccnc3)C(=O)c2cc1	PC-id_4873392	227.282	ZEGVOBPACQDVNP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-020986
s1c2CC(=Cc3ccncc3)C(=O)c2cc1	PC-id_4873393	227.282	GMWNRGKNYDZGDT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-020987
s1c2CC(=Cc3ncccc3)C(=O)c2cc1	PC-id_4873391	227.282	VESKNFQLAKRKCJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-020988
S1c2c([nH]cc2)C(=O)C1=Cc1ccccc1	PC-id_292174	227.282	KQCXLNZGVDLLSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-020989
c12CN(Cc1sc(CNC)c2N(=O)=O)C	EMOLS-id_330872648,MCULE-9689964312	227.283	JBJUMCZJKPHWNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-020990
C1CS(=O)c2c1[nH]nc2NC1(CC1)CO	SCHEMBL15088381,PC-id_89672643	227.283	BSVCDROBPHOYRQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020991
c1(NC(=O)COC)n(C)nc2CSCc12	EMOLS-id_188940631,STOCK7S-64480,MCULE-9385401674,ZINC22_604418598	227.283	DINHIGVIPBXXAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020992
CC1(CC1)S(=O)(=O)n1cc2CNCc2n1	SCHEMBL15152885,PC-id_89723576	227.283	KGHIZXKEQHDASI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-020993
Cc1nc2n(c1CC(C(=O)O)N)CCS2	PC-id_112484583	227.283	IFYVBALNEFVDRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020994
Cc1nc2n(c1C(C(=O)O)CN)CCS2	PC-id_112484585	227.283	WNGKXPZDMQTXMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020995
Cc1nc2n(c1COC(=O)NC)CCS2	PC-id_332998,NSC332701,CoCoCo_5604873,LI_187416	227.283	IXLNRCQJVQAPAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020996
CC(C1N(Cc2c1nc(s2)N)C(=O)O)C	PC-id_117679989,SCHEMBL16213247	227.283	UMFNPEWKJNFIFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020997
C=CCCS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316710131	227.283	WORADZKXMQWRFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020998
CC([C@@H]1N(Cc2c1nc(s2)N)C(=O)O)C	PC-id_117679988,SCHEMBL16213246	227.283	UMFNPEWKJNFIFK-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-020999
CCC(n1nc2c(c1N)CSC2)C(=O)O	PC-id_102354196	227.283	PPEXZKNQPFQDQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021000
CCOC(=O)Cn1nc2c(c1N)CSC2	EMOLS-id_27513001,MCULE-3194567885,ZINC22_26421986,PC-id_33677810,CoCoCo_5090348	227.283	WKBCOINVIMRHES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021001
Cn1c2CNCc2nc1S(=O)(=O)C1CC1	SCHEMBL17380232,PC-id_118613972	227.283	DEXXAMPOOKTYGZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021002
CN1Cc2c(C1)cn(n2)S(=O)(=O)C1CC1	PC-id_89729904,SCHEMBL15161213	227.283	HLPKUXOHCVEMHK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021003
Cn1ncc2c1CN(C2)S(=O)(=O)C1CC1	EMOLS-id_316431397,MCULE-6565301616	227.283	MXFMCRVAJVMQDC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021004
CN(C(=O)Oc1n(C)nc2c1CSC2)C	PC-id_12766051,SCHEMBL11240336	227.283	INMBWEPLSPUFNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021005
CN(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104289208	227.283	MRTHYGNRUUCGQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021006
CSCn1c2CC[C@@H](c2[nH]c1=O)C(=O)N	SCHEMBL13883022,PC-id_71018956	227.283	CXKCLXLXJBRFJX-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021007
O=C(c1cnn2c1CCC2)N=S(=O)(C)C	EMOLS-id_279042255	227.283	QHRIWABNASPPAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021008
O=C(c1n[nH]c2c1CCC2)N=S(=O)(C)C	MCULE-2947471791,EMOLS-id_258164002	227.283	USEJTYUJJQTBOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021009
s1c2c(nc1NC(=O)CCOC)CNC2	PC-id_82194055	227.283	FJAWTOIESFMNIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021010
s1c2CN(Cc2nc1N)C(=O)CCOC	PC-id_82194167	227.283	FWFBFAUTIFEFJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021011
s1c2CN(C(CC)C(=O)O)Cc2nc1N	PC-id_82194370	227.283	ATOUCRTVMRQRQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021012
S1c2n(CC1)c(c(n2)C(=O)OCC)CN	PC-id_82367572	227.283	KGKGOLKNNKYEIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021013
S1Cc2c(noc2NC(=O)NC(C)C)C1	PC-id_49720627	227.283	FLTNSAHUORNWRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021014
S1(=O)(=O)N=C(C(C)(C)C)c2n(ncc12)C	PC-id_21048536	227.283	HYGIOVCYHXNOER-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021015
S1(=O)(=O)N=C(C(C)(C)C)c2n[nH]c(c12)C	PC-id_58898532	227.283	LHBJBXVKBWQGSA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021016
S(Cn1c2c([nH]c1=O)C(CC2)C(=O)N)C	PC-id_77982807	227.283	CXKCLXLXJBRFJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021017
OCCC1N=Nc2n1nc(c2N)SCC	PC-id_145844610	227.287	INHOZPXUOXEGKQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021018
COc1ccc(cc1)Cn1ccc2c1CCC2	PC-id_134951685	227.302	SABPAMFQXHXQIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021019
o1c2c(CCC2)c(C(N)c2ccccc2)c1C	PC-id_83610136	227.302	QFSMSLYOCIPRJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021020
O=Cc1cc2c([nH]1)CCC2CC1=CCCC=C1	PC-id_144126408	227.302	AIMNVCCPWQORPX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-021021
c12C(C)CCc1n(nc2N)Cc1ccccc1	MCULE-7959657084,EMOLS-id_330963954	227.305	FJSLQAAPVBAEIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021022
c1ccc(cc1)CNCc1n[nH]c2c1CCC2	PC-id_61395262,EMOLS-id_38281129	227.305	QHIQYWBUWYLGMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021023
CC1CC(c2n1ccn2)NCc1ccccc1	EMOLS-id_96772056	227.305	QEGPKTNAMVQPSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021024
CC1CCc2nn(Cc3ccccc3)c(N)c12	MCULE-3224461952,EMOLS-id_331008943	227.305	XGGVTAMLQOLECO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021025
Cc1ccc(cc1)Cn1nc2c(c1N)CCC2	EMOLS-id_41192143,PC-id_65348267	227.305	RXFHDCMUMDVPTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021026
Cc1ccccc1Cn1nc2c(c1N)CCC2	EMOLS-id_41192203,PC-id_65348691	227.305	RFAJFGHHQXWCLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021027
Cc1cccc(c1)Cn1nc2c(c1N)CCC2	PC-id_65348692,EMOLS-id_41192205	227.305	YAUFYGTVNZBIEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021028
CC1NCc2c1cn(n2)C(c1ccccc1)C	PC-id_112484554	227.305	FPTYLZYUBFZFMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021029
CC1NCc2c1cn(n2)CCc1ccccc1	PC-id_112484556	227.305	VLUASQCIUWDLAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021030
Cc1n(CCc2ccccc2)nc2c1CNC2	PC-id_96602403	227.305	DEYXIHSINXIFQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021031
CC(c1n[nH]c2CCCc12)c1cccc(N)c1	EMOLS-id_337933849	227.305	HUEGVEXPCGTHSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021032
CC(c1n[nH]c2CCCc12)c1ccc(N)cc1	EMOLS-id_337936153	227.305	LDWWYHQRIBTTOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021033
CC(n1nc2c(c1C)CNC2)c1ccccc1	PC-id_112484558	227.305	DGHLPNPCCIHAAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021034
N1(Cc2c(C1)c[nH]c2CN)Cc1ccccc1	PC-id_82372993	227.305	CLNBXBQMTAPLCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021035
N1(C(c2c([nH]nc2)C1)(C)C)Cc1ccccc1	PC-id_57374240	227.305	QLEDWPIILXKZQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021036
N1(C(c2[nH]ncc2C1)(C)C)Cc1ccccc1	PC-id_72206668	227.305	ZFQWLGNAPTYXKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021037
n1(nc2C(CCc2c1N)C)Cc1ccccc1	PC-id_11345191	227.305	UJDSXRYMASBMJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021038
NC(c1nc2c([nH]1)CCC2C)c1ccccc1	PC-id_113759034	227.305	GEOPDJMPGNPEON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021039
N[C@H](c1nc2c([nH]1)CCC2C)c1ccccc1	PC-id_102970189	227.305	GEOPDJMPGNPEON-ACGXKRRESA-N	00000010100000110001000010000000000000000000000000000000	25-01-021040
N[C@@H](c1nc2c([nH]1)CCC2C)c1ccccc1	PC-id_113759036	227.305	GEOPDJMPGNPEON-FFFFSGIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021041
CC(c1nc2c(s1)C(OC2(C)C)(C)C)O	PC-id_79927860,EMOLS-id_313614832	227.323	ZUCAMDYMCPJLIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021042
CCOC(NCC1CCc2c1ccs2)O	SCHEMBL18723548	227.323	VGMWTTRZDODZAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021043
OCC(CNCc1sc2c(c1)CCC2)O	PC-id_76895636,EMOLS-id_300608857	227.323	BLRCWGPUXCXYCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021044
OC[C@H](CNCc1sc2c(c1)CCC2)O	EMOLS-id_38138683,PC-id_61208361	227.323	BLRCWGPUXCXYCG-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-021045
C=C/C=CC(=C/C=C)C1C(C)Cc2[n+]1cc[nH]2	PC-id_142091436	227.325	SGNNUNCCYXIGNJ-WNDPTYLVSA-O	00000010100000000001000010000000000000000000000000000000	25-01-021046
CCSc1nn2C(NNc2c1N)C(C)C	PC-id_136659012	227.33	KUJHWFXQBNXWNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021047
CCCNC(=O)c1sc2c(c1)CSC2	ChEMBL-DNDi_CHEMBLC574-0073,PC-id_53298116	227.346	QWRYDVUQTPBHBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021048
CSc1sc(c2c1C(N)CC2)C(=O)C	PC-id_112484521	227.346	RZGQDDNXBMDVGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021049
s1c2c(CSC2)cc1C(=O)NC(C)C	PC-id_4048814	227.346	COVBUGXDUCVBLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021050
s1c(c2CCCc2c1SC)C(=O)CN	PC-id_82618448	227.346	GALFOMXUCLOPAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021051
SC(=O)CCCc1sc2c(n1)CCC2	PC-id_141548794	227.346	IBBHKFBKHGFJCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021052
CN(CCC1(C)CSc2c1csc2)C	PC-id_141819976	227.389	RKERYSPJJMAOFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021053
CSCCNCc1sc2c(c1)CCC2	PC-id_116094732	227.389	UAMZBBJPIPNPDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021054
Clc1n(cc2C(CCc12)C(=O)O)C(C)C	PC-id_83911334	227.687	WFTNYMHNLMDDAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021055
ClCC(C(=O)N1Cc2c(C1)c[nH]n2)(C)C	MCULE-5048365430,EMOLS-id_313644576	227.691	BXCKDTZPPNZPCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021056
O=C(C(Cl)C)NC1CC(n2c1ncc2)C	MCULE-1091825915	227.691	AXOXBJKCWRPMLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021057
Clc1cc2c(s1)CCC2NOCC#C	EMOLS-id_266510644	227.71	QIDAYJPVUQHDKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021058
c12C(C)CCc1n(nc2Cl)CCN(C)C	MCULE-7731135601,EMOLS-id_330975230	227.734	LIEIEIZMNRCBHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021059
c12C(C)CCc1nn(CCN(C)C)c2Cl	EMOLS-id_330961584,MCULE-5684813598	227.734	ZWPFTBFSMCQQKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021060
CC1CCc2c1c(CCl)nn2CCCN	MCULE-2367079504,EMOLS-id_331028487	227.734	QLEYNPMEEFRVKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021061
CC1CCc2nn(CCCN)c(CCl)c12	EMOLS-id_331013558,MCULE-8711019118	227.734	AFFCQTOXSGNMEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021062
CC=CCNC1CCc2c1cc(s2)Cl	EMOLS-id_266512072	227.754	YBRNRPFFFNYEFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021063
CC(=C)CNC1CCc2c1cc(s2)Cl	EMOLS-id_266512222,PC-id_114615421	227.754	HOQSFHXGCMACHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021064
CC(C=C)NC1CCc2c1cc(s2)Cl	PC-id_115731746,EMOLS-id_266512166	227.754	HROXLHVOTOAJRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021065
Clc1cc2c(s1)CCC2NC1CCC1	EMOLS-id_107329420,PC-id_81251740	227.754	UPBYRRSWJHMCPE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-021066
Clc1cc2c(s1)CCC2NCC1CC1	PC-id_81252561,EMOLS-id_107247957	227.754	IBLZKDTVBJOIKR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-021067
Clc1cc2c(s1)CCC2NCCC=C	PC-id_116032432	227.754	HBFBIYLVNNOWJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021068
Clc1sc2c(C(NC3C(C3)C)CC2)c1	PC-id_81251856	227.754	RINDZIIYYUXFDU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-021069
Cl/C=C/CNCc1sc2c(c1)CCC2	PC-id_107899761	227.754	XLOSQACBNPJYFH-GORDUTHDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021070
ClC(=C)CNCc1sc2c(c1)CCC2	PC-id_61207789,EMOLS-id_38138669	227.754	OZLGZYKGSPQJTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021071
C1CN2C=C(C=C2C1C(=O)[O-])Br	PC-id_149158483	227.967	YZHUGKQYWSIWIA-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-021072
C1Cn2ccc(c2C1C(=O)[O-])Br	PC-id_163898942	227.967	QICFACPXIZSVQZ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-021073
CCCC1(CC2=C(S1)SC=C2)C(=O)O	PC-id_154290214	228.028	DGDVVDBMWIZMQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021074
CS(=O)(=O)C1=CN2CCC(C2=C1)C(=O)[O-]	PC-id_153808281	228.034	INKBRQRMBPEPLY-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-021075
BrC1=Cc2n(C1)ccc2C(=O)O	SCHEMBL10818317,PC-id_53782319	228.043	DWDJROWCZCIWJV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021076
Brc1cc2n(C=CC2C(=O)O)c1	PC-id_20253918,SCHEMBL10818315	228.043	AMRHNWKYEVFPAG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021077
Brc1cn2c(C(=CC2)C(=O)O)c1	PC-id_70450731,SCHEMBL10818319	228.043	FFHPWJCBHANEPW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021078
O=C1CC(c2c1c[nH]c2Br)(C)C	PC-id_117935906,SCHEMBL16547876	228.086	GMUKIIIIAJHQHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021079
C1C2=C(CO1)N(N=C2C=O)CC3=CC=CC=C3	PC-id_165387883	228.09	KBYJJSQXFUJRFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021080
CC(C)N1CC2=C(C1)SC(=N2)C(O)OC	PC-id_164161775	228.093	ZNPULDIMPGQLNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021081
C1C2=C(CN1C(=O)NC3=CC=CC=C3)NN=C2	PC-id_153724137	228.101	AMBCCCLFWAUVBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021082
CCN1C(=CC=N1)C=C2CN3C=CN=C3C2=O	MCULE-9622137325,PC-id_154766558,EMOLS-id_257947156	228.101	DMBUIJSGLYJQKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021083
O=C1NC(=O)c2c1c(C)[se]c2C	PC-id_145638482	228.107	ZNDFBJBJWZUOMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021084
Brc1c2CCCc2sc1C#N	MCULE-2969268865,EMOLS-id_330868815	228.109	YYYCMGMEVLTXOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021085
Brc1sc2CCCc2c1C#N	PC-id_68396513,MCULE-5784544292,EMOLS-id_76744711,SCHEMBL12835979	228.109	NJBUEBDBRBGEOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021086
CN1C2=C(CCC2OCC3=CC=CC=C3)C=N1	PC-id_153366744,EMOLS-id_324122834	228.126	RXSRUOWPWLDUGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021087
Brc1c2c([nH]c1C(C)C)CCC2	PC-id_84792059	228.129	QCTMEBDDKRXYLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021088
CCC1Oc2c(O1)c(oc2C(=O)O)C(=O)O	PC-id_141365877	228.156	XCDRDAPJFDDEMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021089
OC(=O)Cc1oc(c2c1OCO2)CC(=O)O	PC-id_139924031	228.156	LQSIQQACGNDODJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021090
C1C(Oc2nc(cn12)[N+](=O)[O-])COC(=O)N	PC-id_89437400,SCHEMBL14775274	228.162	AKHABRLRBUNSTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021091
O1C(Cn2c1nc([N+](=O)[O-])c2)CNC(=O)O	SCHEMBL5537422,PC-id_23081648	228.162	LPRFWBJOQJCAFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021092
c1(N(=O)=O)nn2c(OC(COCCC)C2)n1	PC-id_2842603,EMOLS-id_1258582,MCULE-4725490991	228.205	HEMJDGFDXQWCHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021093
CCCOC[C@H]1Cn2nc([N+](=O)[O-])nc2O1	PC-id_2223543,CoCoCo_114234,ZINC22_2870815	228.205	HEMJDGFDXQWCHJ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021094
CCCOC[C@@H]1Cn2nc([N+](=O)[O-])nc2O1	PC-id_2223544,CoCoCo_114233,ZINC22_2870816	228.205	HEMJDGFDXQWCHJ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-021095
O=C1c2nc[nH]c2C(=O)N1Cc1ccccn1	PC-id_44564739,CHEMBL461105	228.207	MGVDJMGYBUICPX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021096
O=C1c2nc[nH]c2C(=O)N1Cc1ccncc1	PC-id_44564740,CHEMBL461106	228.207	GUUAQSDHUBHLQB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021097
O(C(=O)c1c(c2n(c1)C=NC2C#N)C#N)CC	PC-id_85751465	228.207	HMOXAOLVMAGFHV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021098
c1(C(=O)OCC)c2COCc2nn1CCF	EMOLS-id_324399447,MCULE-1797089734	228.22	PFXZKCDFFFGXRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021099
CONC(=O)c1nn2c(n1)C(CC2CC)F	PC-id_142515017	228.224	GDUCNEXFCZFYIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021100
c1(N(=O)=O)c2CN(Cc2sc1C(=O)O)C	EMOLS-id_330870856,MCULE-6902477838	228.225	JNRXLAXMGFGYCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021101
CC1(c2c(C(=O)O1)nc(s2)NC(=O)O)C	PC-id_87529155,SCHEMBL3450385	228.225	HBRQTIIXAPEMOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021102
CC1CCc2c1c(O)nn2CC1CC1(F)F	EMOLS-id_330959600,MCULE-8364022723	228.238	JQWRWMNTCDTXEH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021103
CC1CCc2nn(CC3CC3(F)F)c(O)c12	EMOLS-id_331005869,MCULE-5972867444	228.238	XRAKXOKZNGQXKD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021104
CC(C)n1c2c(CC(=O)C2)c(n1)C(C)(F)F	SCHEMBL15723709,PC-id_90162123	228.238	IJVPXCZXWKJIQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021105
CC(C)n1c2c(C(=O)CC2)c(n1)C(C)(F)F	SCHEMBL15723808,PC-id_90162214	228.238	LTJSFTGSNGDOSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021106
CC(=O)c1nn(c2c1C(F)(F)CC2)C(C)C	PC-id_105485376	228.238	BXPWKQLEEDGZND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021107
c1(C(=O)c2cccnc2)c2CCCc2oc1N	PC-id_83447124,MCULE-5872860346	228.247	UEFBDSXEKAARMV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021108
C1(C(O)c2ccncc2)Cn2c(ccc2)C1=O	MCULE-4564424863,PC-id_4736945,EMOLS-id_31419319	228.247	HGYHJOGYOJQYNS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021109
o1c2c(CCC2)c(c1N)C(=O)c1ccncc1	PC-id_83447125	228.247	HPQZUNVQFCBMIW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021110
o1c2c(CCC2)c(c1N)C(=O)c1ncccc1	PC-id_83447123	228.247	ZOYTZXSNFYTHJB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021111
o1nc2CCCc2c1NC(=O)c1ccccc1	PC-id_16942268	228.247	AYVVGGFHVBWZBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021112
o1nc2CN(Cc2c1C=O)Cc1ccccc1	PC-id_83870765	228.247	ASHNXLMOLFDGKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021113
o1nc(c2CN(Cc12)Cc1ccccc1)C=O	PC-id_83870800	228.247	WQQBESBQNWFDKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021114
O=C1c2cccn2C[C@H]1[C@@H](O)c1ccncc1	GD-id_ZINC08435717,PC-id_40731027,ZINC22_8435717	228.247	HGYHJOGYOJQYNS-JQWIXIFHSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021115
O=C1c2cccn2C[C@@H]1[C@@H](O)c1ccncc1	PC-id_40731025,ZINC22_8435715	228.247	HGYHJOGYOJQYNS-PWSUYJOCSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021116
O=C1c2cccn2C[C@@H]1[C@H](O)c1ccncc1	ZINC22_8435714,PC-id_40731024	228.247	HGYHJOGYOJQYNS-ZYHUDNBSSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021117
O=C1c2cccn2C[C@H]1[C@H](O)c1ccncc1	ZINC22_8435716,PC-id_40731026	228.247	HGYHJOGYOJQYNS-CMPLNLGQSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021118
O=C1N[C@H](c2c1c(C)on2)Cc1ccccc1	PC-id_100983618	228.247	OWDFELHHXUBILE-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-021119
c1(C(=O)Nc2ccccn2)c2CCCc2[nH]n1	MCULE-8736018336,EMOLS-id_180404707,PC-id_110678733	228.25	RSOPIBZNNFBWFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021120
c1(C(=O)Nc2cccnc2)c2CCCc2[nH]n1	MCULE-3867161260,EMOLS-id_323253182	228.25	KVOVUYIQSCWLII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021121
Cc1ccc(cc1)C(=O)c1c2NCCn2nn1	PC-id_136199868,CHEMBL1221797	228.25	AJMYXBZLXRPCQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021122
Cc1ccnc(c1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318376778	228.25	JVNCLBSHACWASB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021123
Cc1ccnc(c1)C(=O)N1CCn2c1ccn2	EMOLS-id_320167008,MCULE-4417896188	228.25	IIPRJCIIRAHODK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021124
Nc1nn2c(c1)N(CC2)C(=O)c1ccccc1	PC-id_46184408,SCHEMBL12307388	228.25	JGJUIZPICYFLDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021125
O=C(c1c2CCCc2[nH]n1)Nc1ccncc1	EMOLS-id_257862139,MCULE-8137733405	228.25	CKMGJLNJPCBMOE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021126
O=C(N1Cc2c(C1)c([nH]n2)C)c1ccccn1	PC-id_118491737,SCHEMBL17232772	228.25	ZGXMIBQSRXQSAP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021127
O=C(N1Cc2c(C1)c([nH]n2)C)c1cccnc1	PC-id_118491690,SCHEMBL17232719	228.25	YVYONFWYCYKSGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021128
O=C(N1Cc2c(C1)c([nH]n2)C)c1ccncc1	SCHEMBL17232716,PC-id_118491687	228.25	YCCDJJSLTWGPMW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021129
O=C(N1CCn2c1ncc2)Cc1ccncc1	EMOLS-id_319450935	228.25	GYFMAIHXTCCVBU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021130
O=C(N1CCn2c1ncc2)Nc1ccccc1	PC-id_12438616	228.25	AQYAIZVQDAWLGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021131
O=C(Nc1cccnc1)c1c2n(nc1)CCC2	PC-id_45376319	228.25	XNFQPVKESNIUQM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021132
O=C(Nc1n[nH]c2CCCc12)c1cccnc1	PC-id_9942692	228.25	UEZWOICEUKRGGM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021133
O=C(Nc1n[nH]c2CCCc12)c1ccncc1	PC-id_9834503	228.25	FQQZMYAUSOSNJI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021134
N#Cc1cn(nc1C)Cc1nnc2n1CCC2	MCULE-4709478707,EMOLS-id_319857099	228.253	RPPIEPFUFBUYLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021135
c1(C(=O)OCC)c2COCc2sc1OC	EMOLS-id_331060014,MCULE-2091051004	228.265	HEEUYQFNLRDTSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021136
S1(=O)(=O)C(c2c(C1C)coc2C(=O)C)C	PC-id_14977733	228.265	YIYPPDPCKBZLRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021137
S1(=O)(=O)[C@H](c2c([C@@H]1C)coc2C(=O)C)C	PC-id_10398878	228.265	YIYPPDPCKBZLRV-BQBZGAKWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021138
Cc1c(nc2n1C(O)CS2)C(=O)OCC	SCHEMBL1340413,PC-id_13060114	228.268	LEPXAEIVXCWTTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021139
CCOC(=O)Cn1nc2c(c1O)CSC2	EMOLS-id_313569606	228.268	UCGKNJWNENKWNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021140
O=Cc1nn(c2c1CS(=O)(=O)C2)C(C)C	PC-id_105485536	228.268	NNZRTZPOTDWWQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021141
O=Cc1n(nc2c1CS(=O)(=O)C2)C(C)C	PC-id_105485544	228.268	IBDSYPVDTFNVCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021142
OCCOC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_42204625,PC-id_79349778	228.268	FVILBIFNFKTCDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021143
OC(=O)CSc1nc2c([nH]1)COC2(C)C	EMOLS-id_296547983	228.268	SQYIRSTUYUJUNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021144
S1c2n(CC1)c(c(n2)C(=O)OCC)CO	PC-id_82367516	228.268	NYFYESHKWRNBQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021145
S1Cc2c(noc2NC(=O)COCC)C1	PC-id_45505356	228.268	QANDINDVQVZCCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021146
S1Cc2[nH]n(c(=O)c2C1)CC(=O)OCC	PC-id_83196674	228.268	KKVUWQOUBCBKQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021147
c1(NC(=O)COCC)nnc2SCCn12	PC-id_22582938,CoCoCo_2590468,ZINC22_15865761,MCULE-1011703416,EMOLS-id_16349353,ChEMBL-DNDi_CHEMBLF2079-0022	228.271	OFLIWTYOLVDHQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021148
s1c(c2CCC(=O)c2c1SC)C(=O)O	PC-id_82391227	228.288	BAQYGZXYAXZXND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021149
c12C(C)CCc1n(nc2O)Cc1ccccc1	MCULE-9202776462,EMOLS-id_331020268	228.29	KBHFRYAOLOXNJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021150
CC1CCc2nn(Cc3ccccc3)c(O)c12	EMOLS-id_331005097,MCULE-6410103628	228.29	LUYBHCOTDCXNDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021151
Cc1ccccc1Cn1nc2c(c1O)CCC2	EMOLS-id_315046669	228.29	QHEGSSGVOQGWPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021152
Cc1ccc(cc1)Cn1nc2c(c1O)CCC2	EMOLS-id_315347675	228.29	HNOOJGOUCYRWMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021153
Cc1cccc(c1)Cn1nc2c(c1O)CCC2	EMOLS-id_315354577	228.29	LFPBASQSACMDGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021154
COc1ccc(Cc2n[nH]c3CCCc23)cc1	EMOLS-id_337934359	228.29	LRAQNRWUIXCKEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021155
n1c2CCCc2oc1C(N)Cc1ccccc1	PC-id_83949281,MCULE-7668604948	228.29	PKECJLRBECLZIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021156
o1c2c(CN(C2)Cc2ccccc2)c(c1)CN	PC-id_83487050	228.29	UIYHQEUMONYTDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021157
O=c1n([nH]c2c1CCC2)Cc1ccc(cc1)C	PC-id_66020248	228.29	CPZYFZVSJRBPDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021158
O=c1n([nH]c2c1CCC2)Cc1c(cccc1)C	PC-id_66020903	228.29	WIVVMPYFFNLYJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021159
O=c1n([nH]c2c1CCC2)Cc1cc(ccc1)C	PC-id_66022144	228.29	UXJLAJJEILSMSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021160
OCC1CCc2n1cnc2Cc1ccccc1	PC-id_112484424	228.29	FVGLGDQINLQFPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021161
OCc1nn(c2c1CCC2)Cc1ccccc1	PC-id_20031090,SCHEMBL10479729	228.29	UNINKLXKLFDYHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021162
S1Cc2c(C1)c(sc2C(=O)N)C(=O)N	PC-id_10398899	228.291	VLWABMVUNNSKPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021163
c1ccc(cc1)NCCc1nnc2n1CCC2	EMOLS-id_37876888,PC-id_60835730	228.293	PWEJEZKXAWOQAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021164
c1(C(CN)c2ccccc2)nnc2CCCn12	PC-id_62883329,MCULE-8780138639	228.293	OKRCEKAYNWIPCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021165
Cc1ccc(cc1)NCc1nnc2n1CCC2	EMOLS-id_37366696,PC-id_54920883	228.293	VQXMAWCAOJXREO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021166
Cc1nn2C(NNc2c1)CCc1ccccc1	PC-id_136146161	228.293	KLIKTWGLAMQUAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021167
n12CCCc1nnc2Cc1c(CN)cccc1	EMOLS-id_314887526,PC-id_81318206	228.293	OCASZWNEAXOBIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021168
n12CCCc1nnc2CC(N)c1ccccc1	PC-id_43142789	228.293	OZHGUVAXEUQMMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021169
n12CCCc1nnc2C(N)(c1ccccc1)C	PC-id_62489736	228.293	RMCVRRSGLBTQNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021170
n12CCCc1nnc2C(N)Cc1ccccc1	PC-id_43142802	228.293	DVXIRDNQSQWXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021171
N1(Cc2c([nH]nc2CN)C1)Cc1ccccc1	PC-id_83870576	228.293	MREOOEWZLFNFJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021172
N1(C(c2c([nH]nc2N)C1)C)Cc1ccccc1	PC-id_83850202	228.293	LGGRPSVIIOKGHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021173
N1(Cc2c([nH]nc2NC)C1)Cc1ccccc1	PC-id_83870572	228.293	RAXVSGVVUQUQAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021174
N1(Cc2c(nn(c2N)C)C1)Cc1ccccc1	PC-id_71647971	228.293	KMEBQPAPGMFUDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021175
N1(Cc2n(nc(N)c2C1)C)Cc1ccccc1	PC-id_83850201,EMOLS-id_266513936	228.293	WPGWMVWVDWGDPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021176
Nc1cccc(c1)CCc1nnc2n1CCC2	PC-id_113290440,EMOLS-id_315623389	228.293	LMGYGFKSWIMGIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021177
Nc1ccc(cc1)CCc1nnc2n1CCC2	PC-id_113290441,EMOLS-id_315623645	228.293	CXPDLRFAVCIANQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021178
Nc1ccccc1CCc1nnc2n1CCC2	PC-id_113939784	228.293	GEQCVDBSFSFDCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021179
NCC1Cc2n(C1)cnc2Cc1ccncc1	PC-id_112484414	228.293	FNOQWFMKNSYHAP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021180
NCC1CCc2n1cnc2Cc1ccccn1	PC-id_112484410	228.293	JQTYVXMTJAPVAB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021181
NCC1Cn2c(C1)c(nc2)Cc1ccccn1	PC-id_112484413	228.293	SGEAKBMNBIBUQX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021182
N#CC1C(N(C)C)c2c(C1CC#N)n(cc2)C	PC-id_122382461	228.293	ZVFAPZSDXGSFMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021183
[nH]1c2c(nc1C(N)Cc1ccccc1)CNC2	PC-id_83949426	228.293	WIAQPWXYJGVAQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021184
S1(=O)(=O)C(c2c(C1C)coc2)CCCC	PC-id_85626793	228.308	VIEQFVUBZYSTMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021185
c1(C(=O)c2ccccc2)cc2c(CCC2)s1	PC-id_43462848,MCULE-4461090109,EMOLS-id_37654175	228.309	BFWXGJKTYFKYIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021186
CC(C)n1nc(c2CCCc12)S(=O)(=O)C	EMOLS-id_337904416	228.311	NWLBEHTYEIBPJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021187
OCC(NCc1sc2c(n1)CCC2)CO	PC-id_115887717	228.311	OMNVYELOXSVGAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021188
S1(=O)(=O)Cc2c([nH]c(c2CN)C(C)C)C1	PC-id_84792285	228.311	RYQXABBPPZWMTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021189
S(=O)(=O)(c1n(nc2c1CCC2)C(C)C)C	PC-id_83856393	228.311	HSPIGRCNNWXHMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021190
FCCCNC(c1sc2c(n1)CCC2)C	PC-id_115997497	228.329	XZSBPLMEMOXKFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021191
CCSc1c(sc2c1CCC2)C(=O)O	PC-id_142460881	228.331	HZPBFPIBTYCFNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021192
COCCC1(C)Sc2c(C1=O)ccs2	PC-id_15728287,SCHEMBL9654164	228.331	MIEKATAVTNXEQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021193
C#Cc1nn(CC2CCCCC2)c2CCCc12	EMOLS-id_324400222,MCULE-3930105171	228.333	UMIIWLBZQIZVKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-021194
CC(C(=O)Nc1sc2c(n1)CCC2)S	PC-id_107025685	228.334	XHMIQJHBOONAMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021195
CSCC(=O)Nc1nc2c(s1)CCC2	ZINC22_48417398,EMOLS-id_50296078,PC-id_47119144,MCULE-6061921329	228.334	XTDDJBNGUNZELY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021196
s1c2c(C(NC(=S)[S-])CC2=O)cc1	PC-id_21765194	228.334	IJWGJDWTIHLJFA-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-021197
SCCC(=O)Nc1sc2c(n1)CCC2	PC-id_107025687	228.334	PCLAYNVFWIEFBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021198
s1c2CNCc2nc1NC(=S)NCC	PC-id_82194107	228.338	MNKJNSOPFZFGQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021199
s1c2CN(Cc2nc1N)C(=S)NCC	PC-id_82194218	228.338	CLKSITSQWYOPNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021200
CCC(C1Cc2c(C1)sc(=O)s2)(C)C	SCHEMBL13196666,PC-id_59449522	228.374	VMZLWSLSMBCDCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021201
CCC(C1CCc2c1sc(=O)s2)(C)C	PC-id_59449515,SCHEMBL13196645	228.374	BFPGJZUEPLIEBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021202
CCCCCC1Cc2c(C1)sc(=O)s2	SCHEMBL13196641,PC-id_59449506	228.374	ZJCGFGCKDJVGMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021203
CCCCCC1CCc2c1sc(=O)s2	SCHEMBL13196654,PC-id_59449496	228.374	YDNSXPGHIPVBKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021204
CCCCCC1CCc2n1c(=S)sn2	SCHEMBL6791135,PC-id_10130788	228.377	XULDWYVLXQYFNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021205
CSCCC(c1sc2c(n1)CCC2)N	PC-id_61330898,EMOLS-id_38235624	228.377	MIMLTQURKKOYFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021206
CSCCNCc1sc2c(n1)CCC2	PC-id_115887228	228.377	JOBINTSINICBQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021207
s1c2CCCc2nc1[C@H](N)CCSC	PC-id_82680773	228.377	MIMLTQURKKOYFR-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021208
s1c2c(CN(C2)C)cc1CSCCN	PC-id_13633493	228.377	MWUKYMLKBZZSLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021209
s1nc2n(CCC2CCCCC)c1=S	PC-id_53900514	228.377	HWTUNQBFMHPCIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021210
S=c1sc2c(s1)CC(=C2)C(C)(C)C	PC-id_101343382	228.397	GLJWSYDGKADRPQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021211
s1c2SSSc2sc1=S	PC-id_2322366,MCULE-3904390375,CoCoCo_3738449,EMOLS-id_11655659	228.422	SDGIMIKYEKEXJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021212
Clc1n2c(C(=O)N(C2=O)CC(=O)O)cc1	PC-id_85682770	228.589	XYASGBHTRYKDJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021213
Clc1nc2n(c1C(F)(F)F)CCS2	PC-id_101778354	228.623	KAYNTHDNPJWOHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021214
ClCCCCC1(OC(=O)c2c1occ2)C	PC-id_11138917	228.672	YUHLMDVLYAABJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021215
ClC(=O)Cc1c2CCCc2oc1COC	PC-id_83610114	228.672	ZIFFOSPEODKJQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021216
CC1CCc2c1c(CCl)nn2CC(=O)O	EMOLS-id_331028486,MCULE-7391331849	228.675	QYQZRBLIPFZVPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021217
CC1CCc2nn(CC(=O)O)c(CCl)c12	MCULE-2704674370,EMOLS-id_331013813	228.675	ZHIOLGVUTXDMND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021218
Clc1n(cc2C(N)(CCc12)C(=O)OC)C	PC-id_83911408	228.675	BZDNZZLGNJJQPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021219
Clc1[nH]cc2C(CCc12)(CC(=O)O)CN	PC-id_83911407	228.675	MPAGUDDVIRHRJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021220
Clc1n(nc2CCCc12)CC(=O)OCC	PC-id_66016114	228.675	YVODSFIRKFETMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021221
COC(=O)Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330961328,MCULE-5839509832	228.675	BOMYMODMNPLDEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021222
COC(=O)Cn1nc(Cl)c2C(C)CCc12	MCULE-4249727405,EMOLS-id_330974974	228.675	IUNPVNIILJYSDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021223
ClCC(=O)NC(c1n2CCCc2nn1)C	PC-id_43424771,EMOLS-id_37356246	228.679	BSKRIDBKBUPEAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021224
ClCC(=O)N(Cc1n2CCCc2nn1)C	PC-id_60809499,EMOLS-id_37867031	228.679	BFZGPCOOBGZQJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021225
O=C(C(=C)Cl)Nc1sc2c(n1)CCC2	EMOLS-id_114771735	228.699	XHEALXQKGRIFCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021226
CC1CCc2c1c(CCl)nn2CCCO	MCULE-9423406773,EMOLS-id_331027207	228.718	JVOVKAYSXYXCGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021227
CC1CCc2nn(CCCO)c(CCl)c12	EMOLS-id_331012534,MCULE-5545989480	228.718	GXLMJZUIAGXZAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021228
CCC(O)Cn1nc2CCC(C)c2c1Cl	MCULE-3587687097,EMOLS-id_330962864	228.718	BWBFGIXKQXIMEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021229
CCC(O)Cn1nc(Cl)c2C(C)CCc12	MCULE-9379509381,EMOLS-id_330976510	228.718	LJSYMMRSNKXBBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021230
Clc1n(cc2C(N)(CCc12)CO)C(C)C	PC-id_83911419	228.718	WKCISFMMSCDFBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021231
Clc1n(cc2C(O)(CCc12)CN)C(C)C	PC-id_83911417	228.718	LWYKCTMGYVHOMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021232
CC(C)NC=C1C(=Nc2[n+]1ccs2)Cl	PC-id_86308113	228.722	SEHZCCRATZCGKJ-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-021233
CCC1Cc2c(C1)cc(s2)CC(=O)Cl	SCHEMBL11529856	228.738	WHEDUFVBNFJXAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021234
CC(n1nc2c(c1Cl)CSC2)C1CC1	PC-id_83193546,EMOLS-id_107467744	228.742	LHCQQSBIGUSEPQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021235
Clc1c2CSCc2nn1CC1CCC1	EMOLS-id_324395097,MCULE-3865254943	228.742	YAVAYVVJTHDNMV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-021236
ClC(=C)CNCc1sc2c(n1)CCC2	PC-id_115887611	228.742	GOLXOYLWDYJAKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021237
ClCCCc1sc2c(c1)CC(C2)(C)C	PC-id_138650441,SCHEMBL21018856	228.781	QOXNBGPELUXOML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021238
Cl[Si](C1c2c(scc2)C=C1C)(C)C	PC-id_85788155	228.814	HSHDWLBTYPRZCW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021239
Brc1n(cc2c1C(=O)NC2=O)C	PC-id_83893510	229.031	LZQLYUQHLSUMCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021240
Brc1[nH]c(c2c1CNC2=O)C=O	PC-id_82618699	229.031	ICSKQHIEEZOMFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021241
Brc1[nH]c(c2c1C(=O)NC2)C=O	PC-id_82618698	229.031	YYVLJEFOLGQJCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021242
CC1=Cc2c(C1)p(c(c2)Br)C	SCHEMBL2969451	229.053	SFKMQPKAHXFBHR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021243
CC1=Cc2c(C1)p(cc2Br)C	SCHEMBL2974045	229.053	WWRRGPMDIVWRLY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021244
CCOC(=O)C1C(C2=C(N1)C=C(S2)F)C	PC-id_163674240	229.057	JFGCESHHWKLUPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021245
Brc1n2CCCc2nc1C(=O)C	PC-id_84692368	229.074	DFOISUVAUYZLKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021246
Brc1n(c2c(N(CC2=O)C)c1)C	PC-id_83487085	229.074	FSFCROCUSQFEGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021247
Brc1nc2n(CCC2)c1C(=O)C	PC-id_84692369	229.074	ZNVREVQIXSHGPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021248
CC(C)N1CC2=CN(N=C2C1)S(=O)(=O)C	PC-id_149329612	229.088	YCAZOFKEZKBQDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021249
C1CC2=CC=C(N2C1)C(=O)C3=CC=C(C=C3)F	PC-id_153746542	229.09	OEARAMHKADBAMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021250
CC1=CC(=O)c2c1c(Br)cs2	SCHEMBL20604165,PC-id_137375562	229.094	JMCQPGRBHFZXMX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021251
Brc1sc2CNCc2c1C#N	EMOLS-id_331064365,MCULE-4625108743	229.097	NPCXFFBKRBVZLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021252
Brc1c2CCCc2oc1C(C)C	PC-id_84692408	229.114	HKBBAAKGMBMDSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021253
BrCc1c2CCCc2oc1CC	PC-id_83610211	229.114	OMMMVLAIPDDQGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021254
Brc1c2c([nH]c1C(C)C)CNC2	PC-id_84792523	229.117	IBYMFWZMFYBCNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021255
Brc1n2CCCc2nc1C(C)C	PC-id_83681533	229.117	ZQCLTPSEFSHFFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021256
Brc1n(cc2C(CCc12)CN)C	PC-id_83911430	229.117	HNZFDAPUKPBNIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021257
Brc1n(cc2C(NC)CCc12)C	PC-id_83911432	229.117	BYSLLEOZNOTPAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021258
Brc1[nH]cc2C(CCc12)CCN	PC-id_83911428	229.117	FVMTVDVSLZTNBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021259
Brc1[nH]cc2C(CCc12)CNC	PC-id_83911429	229.117	MVJNYVGDOQOVBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021260
Brc1nn(c2c1CCC2)C(C)C	PC-id_105486187	229.117	YRFCDEBTTYPZNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021261
BrCCCc1n[nH]c2CCCc12	MCULE-7865833597,EMOLS-id_313951172	229.117	NOUCTKXWJNDCLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021262
c12C(C)CCc1n(nc2Br)CC	MCULE-9744550804,EMOLS-id_330969335	229.117	KGMXCGTWIKFONE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021263
c12C(C)CCc1nn(CC)c2Br	EMOLS-id_331022248,MCULE-4000357482	229.117	SJPQAGPEQXGNSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021264
CC1CCc2c1c(CBr)nn2C	MCULE-5220341701,EMOLS-id_331033867	229.117	BILPEBCGPSDSGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021265
CC1CCc2nn(C)c(CBr)c12	EMOLS-id_331018170,MCULE-3384488062	229.117	AFBNCTKWMQLRQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021266
CC(Br)Cc1n[nH]c2CCCc12	EMOLS-id_313951939,MCULE-8713197158	229.117	NEFIDRYWDJJBMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021267
CC(CBr)c1n[nH]c2CCCc12	EMOLS-id_313952195,MCULE-8851455507	229.117	SZYUFZCCZPQQBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021268
CC(C)n1nc2CCCc2c1Br	MCULE-9501619175,PC-id_105486190,EMOLS-id_178071742	229.117	AOILRUQFYLXJPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021269
CC1=C(N=CN=C1NC2CC3=CN=CN3C2)C	PC-id_154785582,EMOLS-id_317735107,MCULE-1635836524	229.133	CGWFPYWNHHESND-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021270
Brc1c2C(=CCc2sc1)CC	PC-id_68457084,SCHEMBL2958212	229.137	XIKVWORSGVSBSN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021271
Brc1c2CC(=Cc2sc1C)C	SCHEMBL817896,PC-id_58526156	229.137	YLRPKLQVMXOTIY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021272
Brc1c2C(C(=Cc2sc1)C)C	SCHEMBL818427,PC-id_58526161	229.137	JPWSZPNWSZVAQJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021273
Brc1c2c(sc1)CC(=C2)CC	SCHEMBL2973474,PC-id_68462554	229.137	GMSXZUMKNWCLEL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021274
Brc1c2c(sc1)C(CC)C=C2	PC-id_68458748,SCHEMBL2962822	229.137	LYZVKUPWJRMHCD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021275
Brc1sc2CC(=Cc2c1)CC	SCHEMBL2965498,PC-id_68459679	229.137	MOPVEJANSQEGOQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021276
Brc1sc2c(C(=CC2)CC)c1	SCHEMBL2972571,PC-id_68462212	229.137	DITWIAKDNWFAFD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021277
Brc1sc2C(CC)C=Cc2c1	SCHEMBL2973168,PC-id_68462434	229.137	OGKJAAFHIHDQLW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021278
Brc1sc(c2CC=Cc12)CC	PC-id_68461330,SCHEMBL2970286	229.137	WYBVYIWASSMJQO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021279
CC1Cc2c(C1=C)scc2Br	SCHEMBL14521940,PC-id_89356147	229.137	LJBGBHRFCPHQTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021280
CC1=Cc2c(sc(C)c2Br)C1	PC-id_66809192,ZINC22_114645064,SCHEMBL816779	229.137	ZQNKSDHVOMNYOU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021281
CCOC(=O)c1cc2c([nH]1)CC(C2=O)(F)F	PC-id_67269876,SCHEMBL2077186	229.18	AWUKPBZBJMBZCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021282
c12CN(Cc1nn(C)c2C#C)CC(F)(F)F	MCULE-9908969277,EMOLS-id_324357743	229.202	FEOHUHXBVDJWIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021283
c1(C(F)(F)F)c2CCCc2n(CCC#N)n1	CoCoCo_6653931,ZINC22_12394584,EMOLS-id_17073385,TIMTEC476304,MCULE-3710746594,PC-id_25247413	229.202	UGXRIIOQCFCRBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021284
c1(C(F)(F)F)c2CCCc2nn1CCC#N	EMOLS-id_8873132,CoCoCo_6653920,TIMTEC428242,PC-id_19616717,ZINC22_12394567,MCULE-9297361221	229.202	RLNAIOGTVLTGDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021285
CC1CCc2c1c(nn2CC(F)(F)F)C#N	MCULE-3247034168,EMOLS-id_331022079	229.202	CESAJEAURQGYSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021286
CC1CCc2nn(CC(F)(F)F)c(C#N)c12	EMOLS-id_331004095,MCULE-1434331929	229.202	DVOINMBFXQEROA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021287
FC(F)(F)Cn1nc2CCCc2c1CC#N	EMOLS-id_317868029,MCULE-1174122292	229.202	RAMYHCVSJZVBKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021288
C1COc2c(c(nn12)C(=O)NCCCO)F	PC-id_91960096	229.208	QYXAWNZHGZRIMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021289
CC(CNC(=O)c1nn2CCOc2c1F)O	PC-id_91960105	229.208	MPPOSEIRQYYMHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021290
CN(CCO)C(=O)c1nn2CCOc2c1F	PC-id_91960115	229.208	HWLMYOAOHZIYQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021291
CS(=O)(=O)n1c2c(CN=C2C(=O)O)cn1	PC-id_89912350,SCHEMBL15397865	229.213	UWDLTNKGSGNPFF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021292
N#CC(=C(C#N)C#N)c1scc2c1OCO2	PC-id_102228670	229.215	NQQNCUOAAWWTGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021293
S(=O)(=O)(Nc1[nH]c2c(n1)C(=NC2=O)N)C	PC-id_12791958	229.216	DMKQXONJLXOSOU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021294
CN(CC(F)F)C(=O)c1occ2c1CCC2	MCULE-4291660290,ZINC22_334351743,EMOLS-id_316778718	229.223	GNILCHRMGDMXKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021295
COC(=O)c1cc2c([nH]1)C(C(C2)(C)C)(F)F	PC-id_139034935	229.223	OAJQVTJTCLJYHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021296
COC(=O)c1cc2c([nH]1)CC(C2(F)F)(C)C	PC-id_139035111	229.223	DYJYZNNHTLMUMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021297
c1(C(=O)N)c2C(C)CCc2n(CC(F)F)n1	EMOLS-id_331040259,MCULE-4947737832	229.227	QOZXCCMPQRZYND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021298
CC1CCc2nn(CC(F)F)c(C(=O)N)c12	EMOLS-id_330958018,MCULE-4291623353	229.227	OWTVKKQNSNISIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021299
CNC(=O)Cn1nc(C(F)F)c2c1CCC2	ZINC22_1875317165,PC-id_146152298	229.227	QCSJOMCYIJWXPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021300
FC(C(NC(=O)c1cnn2c1CCC2)C)F	EMOLS-id_319736582	229.227	YPNAHKRMSAJOQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021301
FC(C(NC(=O)c1n[nH]c2c1CCC2)C)F	EMOLS-id_319459578	229.227	BYNXDYHGCXXZND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021302
O1c2n(nnc2C(=O)c2ccc(cc2)C)CC1	CHEMBL1221858,PC-id_46934570	229.235	RUXSJAUCFQHUGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021303
O=C(N1Cc2c(C1)cn[nH]2)Oc1ccccc1	PC-id_145304426	229.235	LQYMOOVFTPVAQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021304
c1(C(=O)Nc2ncccn2)c2CCCc2[nH]n1	EMOLS-id_180404701,MCULE-2409469493,PC-id_110678731	229.238	CZLGAKMMQZHCQB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021305
O=C(N=c1cc2n([nH]1)CCC2)c1ccnnc1	ZINC22_1875274618	229.238	NOLQYGXIDBJKSB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021306
CCOC(=O)c1cc2c(CCS2(=O)=O)[nH]1	EMOLS-id_337707061	229.253	CHNOCJJQWZDJEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021307
OC(=O)C1CCn2c1cc(c2)S(=O)(=O)C	PC-id_70473438,SCHEMBL10921848	229.253	INKBRQRMBPEPLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021308
OC(=O)Cn1c(=O)sc2c1C(C)(C)OC2	EMOLS-id_266520201	229.253	AJMYFCFVXPYDRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021309
S1(=O)(=O)Cc2c([nH]c(c2CC(=O)O)C)C1	PC-id_84792704	229.253	GZVQLSJQNMNIJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021310
S1(=O)(=O)Cc2c[nH]c(C(=O)OCC)c2C1	MCULE-1412360542,SCHEMBL15221347,PC-id_11831212	229.253	AMZOULIVGYEREO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021311
c1cc(cnc1)C=C1C(=O)c2c(O1)ccs2	PC-id_134821248	229.254	IVYDZDVIBACOHA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021312
CC(=O)c1nc2n(c1S(=O)(=O)N)CCC2	EMOLS-id_50869434	229.256	VJRAEUHOWXMBMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021313
COCC1=Nc2n(S1C(=O)OC)cnc2	SCHEMBL20744314	229.256	ZDKWXPHWLFTTQU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021314
COCCS(=O)(=O)n1cc2c(n1)CN=C2	PC-id_141442909	229.256	IWJRBPLXAPUSGR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021315
O=S(=O)(n1nc2c(c1)CNC2)C1COC1	PC-id_141411239	229.256	CKFQEGIOEAIABJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-021316
c1ccc(cc1)C=c1c(=O)sc2ncnn12	PC-id_91593381	229.258	ZHFLOUWXOLSKFY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-021317
n12cnnc1sc(=Cc1ccccc1)c2=O	EMOLS-id_300040331,MCULE-1914085474	229.258	KZZORRRBJWSMGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-021318
n12ncnc1sc(=Cc1ccccc1)c2=O	MCULE-3745572199	229.258	VECKATMTAWFUIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-021319
O=c1/c(=C/c2ccccc2)/sc2nncn12	ZINC22_112368,EMOLS-id_2919951	229.258	KZZORRRBJWSMGF-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-021320
CC(c1nc2n(n1)C(CC2)C(F)(F)C)(C)C	SCHEMBL20221878,PC-id_134571270	229.27	ASXPTLYKWGDVOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021321
CC(C)n1c2c(CN(C2)C)c(n1)C(C)(F)F	PC-id_90162113,SCHEMBL15723699	229.27	DOAXPDUJOILVGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021322
CN(C)Cc1c2CCCc2nn1CC(F)F	EMOLS-id_324389727,MCULE-2162453405	229.27	HHHNCPBOHVLRAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021323
FC(Cn1ncc2c1CN(C2)C(C)(C)C)F	SCHEMBL19498108	229.27	MGMLHRCDIUGYFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021324
Oc1n(c(O)c2c1CCC2)Cc1ccccc1	PC-id_57167775	229.274	WHWMPMOHMPDSOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021325
CC1N(Cc2ccccc2)Cc2onc(N)c12	PC-id_83850274,EMOLS-id_330454254	229.278	GSTIMTKLZRRJKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021326
COc1ccc(Cc2nnc3CCCn23)cc1	MCULE-3005936409,EMOLS-id_324801801	229.278	MUOBUAONXVXWGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021327
COc1ccc(Cn2cc3CNCc3n2)cc1	EMOLS-id_324310880	229.278	XGDSBJGZPRMTEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021328
NC(c1nc2c([nH]1)COC2C)c1ccccc1	PC-id_102970349	229.278	ZCBDJEZRCOZGNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021329
N[C@H](c1nc2c([nH]1)COC2C)c1ccccc1	PC-id_102970358	229.278	ZCBDJEZRCOZGNQ-LYNSQETBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021330
N[C@@H](c1nc2c([nH]1)COC2C)c1ccccc1	PC-id_113759043	229.278	ZCBDJEZRCOZGNQ-QHDYGNBISA-N	00000010100000110001000010000000000000000000000000000000	25-01-021331
o1c2c(nc1C(N)Cc1ccccc1)CNC2	PC-id_83949310	229.278	ZXGLTNIPHATTNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021332
o1nc2CN(Cc2c1CN)Cc1ccccc1	PC-id_83870633	229.278	SVBDHHXXNNQMGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021333
o1nc2CN(C(c2c1N)C)Cc1ccccc1	PC-id_83850277	229.278	NLOWZJNYPIBDIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021334
o1nc2CN(Cc2c1NC)Cc1ccccc1	PC-id_83870629	229.278	FGZQYJCXHKVNIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021335
o1nc(c2CN(Cc12)Cc1ccccc1)CN	PC-id_83870566	229.278	VZJKRQBRLFGATO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021336
O=c1[nH]n(c2CN(Cc12)Cc1ccccc1)C	PC-id_83850281	229.278	UYPLNSZWMAIAHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021337
O=c1[nH][nH]c2c1C(N(C2)Cc1ccccc1)C	PC-id_83850279	229.278	YMTMMAKACPJZNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021338
O=c1[nH][nH]c2C(N(Cc12)Cc1ccccc1)C	PC-id_83850280	229.278	SQZWTUCQNKICJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021339
O(Cc1n[nH]c2c1CCC2)c1ccc(N)cc1	PC-id_54851922	229.278	BSUSYGBEUZIKMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021340
O(Cc1n[nH]c2c1CCC2)c1cc(N)ccc1	PC-id_54852040	229.278	SZMKGXOPLSJXJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021341
O(Cc1n[nH]c2c1CCC2)c1c(N)cccc1	PC-id_54852047	229.278	CRWJSOABHTZZTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021342
Cc1cc(NCc2cnc3n2CCC3)ncn1	ZINC22_719854569,EMOLS-id_316957283,PC-id_136560145	229.281	SJLRKUNWNZJHAG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021343
Cc1nccc(n1)NCc1nn2c(c1)CCC2	EMOLS-id_316644435	229.281	SIVQWDWWLODRFU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021344
Cc1c(ccc(c1)F)CC1CCc2c1cc[nH]2	PC-id_91532068	229.293	PHWXNHIFYWRZSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021345
S1(=O)(=O)C(c2c(C1)coc2CN)C(C)C	PC-id_82618824	229.296	MEQINTYPPMHNOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021346
S1(=O)(=O)Cc2c(oc(c2CN)C(C)C)C1	PC-id_84792866	229.296	LXQVHAXTCNDNNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021347
O=C1Cc2c(N1Cc1ccccc1)ccs2	SCHEMBL13058830,PC-id_59584025	229.298	WWJLXUJPUJAAFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021348
O=C1N(Cc2ccccc2)Cc2c1ccs2	PC-id_140122497	229.298	WBCKOQGASPVNRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021349
O=C(c1sc2c(c1)CCC2)c1cccnc1	PC-id_114963200	229.298	SRTDPYXLIFOHHT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021350
O=C(c1scc2c1CNC2)c1ccccc1	SCHEMBL9235870,PC-id_15284973	229.298	KUHFABJVAXFBCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021351
s1c2C(Cc3ccccc3)C(=O)Nc2cc1	PC-id_13814934	229.298	KGTQQGILQNPCPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021352
s1c2CCCc2nc1C(=O)c1ccccc1	PC-id_63346981	229.298	YWJHGYUQYXBOIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021353
s1c2c(CN(Cc3ccccc3)C2=O)cc1	PC-id_14249885	229.298	LHYRHBJYNALRII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021354
S1c2n(CC1)ccc2C(=O)c1ccccc1	PC-id_14289892	229.298	BSPGJNMUIPDOCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021355
s1cc2CN(Cc3ccccc3)C(=O)c2c1	PC-id_14249877	229.298	NAIIQTOVJZXGNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021356
S(c1c2n(CCC2=O)cc1)c1ccccc1	PC-id_12065631	229.298	YXJHFUIAZLHGID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021357
S(c1n2CCC(=O)c2cc1)c1ccccc1	PC-id_12065630	229.298	VICZMYMSWSKBKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021358
Cc1nc2n(c1N(S(=O)(=O)C)C)CCC2	SCHEMBL14024335,PC-id_59820618	229.299	IZIIZVRIJKEMIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021359
Cc1[nH]nc2c1CN(C2)S(=O)(=O)C(C)C	PC-id_118491751,SCHEMBL17232787	229.299	COLNHXKJOMIZAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021360
CC(c1n[nH]c2c1CN(C2)S(=O)(=O)C)C	SCHEMBL17229679,PC-id_118489213	229.299	JXEXUIBRMYTVDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021361
CCCCS(=O)(=O)N1CCn2ccnc12	ZINC22_585138235,EMOLS-id_177319379,MCULE-6907663745	229.299	XINSANYXTICCCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021362
CC(Cn1nc2c(c1N)CS(=O)(=O)C2)C	PC-id_105486958	229.299	CJLUBYZRXKIBDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021363
CC(Cn1nc(c2c1CS(=O)(=O)C2)N)C	PC-id_105486949	229.299	KSERVQGXEWEBJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021364
CCn1c2CNCc2nc1S(=O)(=O)CC	SCHEMBL17380108,PC-id_118613852	229.299	DHFUTBQIAUDPLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021365
CC(n1c2CNCc2nc1S(=O)(=O)C)C	SCHEMBL17380915,PC-id_118614634	229.299	OUVFDDJKSLCZSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021366
CCn1nc(c2c1CN(C2)S(=O)(=O)C)C	SCHEMBL17232793,PC-id_118491756	229.299	PADHWFQRSQWIBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021367
CCNc1[nH]nc2c1CCC2S(=O)(=O)C	EMOLS-id_40959472,PC-id_65046348	229.299	LAPJNXWGFNCOCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021368
Cn1c2CNCc2nc1S(=O)(=O)C(C)C	SCHEMBL17380305,PC-id_118614040	229.299	MHZQANIMTHWMEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021369
Cn1nc2c(c1N(S(=O)(=O)C)C)CCC2	SCHEMBL14024330,PC-id_59820616	229.299	ZNJIUQNDTGHMRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021370
Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_105486956	229.299	ZVOYOGBOCCBCEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021371
c1ccc(cc1)NCc1sc2c(c1)CCC2	EMOLS-id_37994130,PC-id_60984042	229.341	FOMWLBLKZQDECY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021396
Nc1n(CCS(=O)(=O)C)nc2c1CCC2	EMOLS-id_41192229,PC-id_65348882	229.299	VIEZLOJLMZNTEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021372
Nc1nn(c2c1CS(=O)(=O)C2)C(C)(C)C	PC-id_105486947	229.299	QOPHZPRFLMHEMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021373
NCc1nn(c2c1CS(=O)(=O)C2)C(C)C	PC-id_105486948	229.299	SHBWJULKKCFUDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021374
NCc1n(nc2c1CS(=O)(=O)C2)C(C)C	PC-id_105486957	229.299	IUUGCKAWPNTZPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021375
s1c2CN(Cc2nc1N)CC(OC)OC	PC-id_82194362	229.299	ZWHZKUMXUHMCNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021376
C1Cc2c(S1)sc(N)c2C(=O)OCC	MCULE-3452748160,PC-id_53275066,SCHEMBL3747531	229.319	SBGAXQJFDRWKDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021377
c1(C(=O)NC)c2CSCc2sc1OC	EMOLS-id_331060266,MCULE-8772999729	229.319	PBEMGGYLEJLHII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021378
c1(C(=O)OCC)c2CSCc2sc1N	MCULE-7233802393,EMOLS-id_331061034	229.319	APHNRHOPHOVLBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021379
c1(C(=O)OCC)sc2CSCc2c1N	EMOLS-id_330871362,MCULE-1037284745	229.319	YOHLBOPMLPDEMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021380
CCOC(=O)c1sc2c(c1N)CCS2	SCHEMBL13155088,PC-id_59379702	229.319	FOPDVFGVKIUWQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021381
CON(C(=O)c1sc2c(c1)CSC2)C	SCHEMBL16938960,PC-id_118258880	229.319	CPAZTQZMKOLVKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021382
CSc1sc(c2c1CN(C2)C)C(=O)O	PC-id_96601112	229.319	NXCZJOPMABKQNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021383
CSc1sc(c2c1C(N)CC2)C(=O)O	PC-id_112484229	229.319	IRQZSGCSYKBZLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021384
CSc1sc(c2c1N(C)CC2)C(=O)O	PC-id_96601110	229.319	XTIRVOFRZTYUPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021385
CSCc1nc2c(s1)CCC2C(=O)O	EMOLS-id_107561088,PC-id_104287370	229.319	RRLWXAAEFGRULC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021386
OC(=O)CSc1nc2c(s1)CCC2C	PC-id_65046723,EMOLS-id_40959580	229.319	SYYUHXWCCCEBDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021387
S1(=O)(=O)N=C(C(C)(C)C)c2c1scc2	PC-id_21048569	229.319	ZKBCJDLCVBDDQR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021388
S1(=O)(=O)N=C(C(C)(C)C)c2sccc12	PC-id_21048573	229.319	SJZVXPLIWFJNRL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021389
C#Cc1c2CNCc2nn1CC1CCCCC1	EMOLS-id_324356207,MCULE-6167431476	229.321	ROALVQMTRDXMMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-021390
CC(C1CCC1)n1nc2CCC(C)c2c1C#N	MCULE-8586604428,EMOLS-id_331002039	229.321	DSCSNOBPDBCDDX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-021391
C/C=CC(=C/C=C)Cn1ncc2c1CC(C2)N	PC-id_144974272	229.321	BGTRFTSQGRBYRI-NQTKGXIKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021392
CC(n1nc2CCC(C)c2c1C#N)C1(C)CC1	EMOLS-id_331005621,MCULE-2263699200	229.321	RYSIZMXIIRJGCR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021393
n1(CC2CCCCC2)c2CCCc2c(C#N)n1	MCULE-8113264254,EMOLS-id_324387928	229.321	BUJOFBZBMWCQEZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-021394
c1ccc(cc1)CNC1CCc2c1scc2	EMOLS-id_96738748	229.341	OVCUMCXRXSSJHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021395
s1c2c(CCC2)cc1C(N)c1ccccc1	PC-id_43463916	229.341	QIZCSNQJMYLVCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021397
s1c2c(C(NC(=S)S)CC2=O)cc1	PC-id_21765195	229.342	IJWGJDWTIHLJFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021398
C=Cn1c2SNSc2n(c1=S)C=C	PC-id_143723593	229.346	NMIMXPGEOMSPBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021399
C=C(c1ccc2n1CC[C@@H]2C)C1CCCCC1	PC-id_141787357	229.361	LKNUSMBBZMFMAL-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-021400
CCCc1c2CC[C@H](n2c(c1)/C=C/C)CC=C	PC-id_134860961	229.361	QQDURNMESBZSJX-VIIAAUOXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021401
S1c2n(CC1)c(c(n2)C)CSCCN	PC-id_15651049	229.366	RDKUSGHCOLJITF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021402
OC(=O)c1c(Cl)c(c2n1CCC2)C(=O)O	PC-id_139507375,SCHEMBL21378233	229.617	RZAMWQWTYASNHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021403
Clc1n(cc2C(O)(CCc12)CC(=O)O)C	PC-id_83911502	229.66	JDJJMXHREMHGRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021404
Clc1oc2C(CCc2c1)(CC(=O)O)CN	PC-id_83911500	229.66	YRVHUOZHPYOJPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021405
Clc1oc2c(C(CC2)(CC(=O)O)CN)c1	PC-id_83911501	229.66	YDKBANRECZOPSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021406
c12c(Cl)cnn1CCN2CC(=O)OCC	MCULE-8282705309,EMOLS-id_323991441	229.663	LSEXHZNEXMGNMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021407
c12CN(Cc1nn(CC)c2Cl)C(=O)OC	MCULE-8297685528,EMOLS-id_324342624	229.663	PGODCTBGRRXQQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021408
c1(C(CN)C(=O)O)nc2n(CCC2)c1Cl	MCULE-5940966106	229.663	HWVZUOOSROVQMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021409
Clc1c2n(nc1NC(=O)O)CCC2(C)C	PC-id_71150169,SCHEMBL14353220	229.663	IJXGGXWOGAGGRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021410
Clc1sc2c(C(=O)N(C(C)C)C2=O)c1	PC-id_15022431	229.683	KOJHRDASVNSMES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021411
Clc1nc2SCCn2c1COCC#N	PC-id_71333733	229.687	YBFNOTVAANJBMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021412
Clc1ccc(cc1)C=C1CCc2c1cc[nH]2	PC-id_141214819	229.705	QCTYOARALZMPMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021413
c1(NC(=O)CCCl)cc2c(CCC2)s1	MCULE-4667316572,PC-id_82110945	229.726	JXAAXLMZFXVISO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021414
Clc1c2CCCc2sc1C(=O)CCN	PC-id_84793409	229.726	QAAQFOIWYQCSIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021415
Clc1c2CCCc2sc1C(=O)CNC	PC-id_84793408	229.726	JGOTXYQQYMTXRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021416
Clc1c2CCCc2sc1C(=O)C(N)C	PC-id_84793410	229.726	WVEIWRCINDTNSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021417
Clc1cc2c(s1)CCC2NC1COC1	EMOLS-id_266524942,PC-id_81252716	229.726	FBBROARUYBDIDZ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-021418
ClCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_38192604,PC-id_61286647	229.726	BJTAVDKZXPPEME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021419
ClC(C(=O)Nc1sc2CCCc2c1)C	PC-id_82108924	229.726	IYYCMRSQGVMCLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021420
ClCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38138737,PC-id_61208179	229.726	ONVWOYQTJRHLSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021421
CCCCNC1CCc2c1cc(s2)Cl	PC-id_81251822,EMOLS-id_313687627	229.769	YJJNELPESIVROY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021422
CC(CNC1CCc2c1cc(s2)Cl)C	EMOLS-id_107392467,PC-id_81252368	229.769	KZJLGPZEFAZQGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021423
CC(NC1CCc2c1cc(s2)Cl)CC	PC-id_81252261,EMOLS-id_107733553	229.769	SSYXZPPRWSBUGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021424
Clc1c2CCCc2sc1C(CCN)C	PC-id_84793415	229.769	RWMCQKNJDVNGHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021425
Clc1c2CCCc2sc1CC(N)(C)C	PC-id_84793422	229.769	BMYQIGRFAYJPRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021426
NCc1c(Cl)sc2c1C(C)CC2(C)C	PC-id_106664688,EMOLS-id_114776294	229.769	PILXAHVAVLPQMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021427
[B]1C2=C(C=C(N2)C)C=I1	PC-id_147037769	229.964	HSGUPHZRQMOXMW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021428
CCC1(CN2C(=C(C=N2)Br)O1)C	PC-id_165369764	230.005	QKTZIOWUWCJVOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021429
Brc1n(cc2c1C(=O)OC2=O)C	PC-id_83894014	230.016	KHZDAIXKQJABQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021430
Brc1oc(c2c1CNC2=O)C=O	PC-id_82618990	230.016	AFMRTGVEYBDNHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021431
Brc1oc(c2CNC(=O)c12)C=O	PC-id_82618989	230.016	GOCRHDRPONYXPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021432
Brc1n(c2c(n1)C(=O)NC2=O)C	PC-id_83669592	230.019	STYBEEDELUMRMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021433
Brc1[nH]c2c(n1)C(=O)N(C2=O)C	PC-id_83669590	230.019	QVNHVKHKLJDEJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021434
CS(=O)(=O)N1C2=C(C=N1)C(NC2)C(=O)[O-]	PC-id_153940566	230.024	CMRZDJFPYHUUPP-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-021435
CS(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[O-]	PC-id_152759892	230.024	OWLZOWLFAZKTEC-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-021436
Brc1c2CCCc2[nH]c1C(=O)O	SCHEMBL8153552,PC-id_57659822	230.059	SJTZMDMUIHXLGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021437
Brc1c2n(CCC2C(=O)O)cc1	PC-id_57311774	230.059	QICFACPXIZSVQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021438
Brc1c(c2n(CCC2)c1)C(=O)O	PC-id_70559052,SCHEMBL11302452	230.059	XWQXHYYQCCZBSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021439
Brc1cc2n(CCC2C(=O)O)c1	PC-id_20454531,SCHEMBL10935284	230.059	YZHUGKQYWSIWIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021440
BrC1(CCn2c1ccc2)C(=O)O	SCHEMBL11293880,PC-id_70556388	230.059	AISQYYUXDWWBFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021441
BrC1C(OC)c2n(C1=O)ccc2	PC-id_85213492	230.059	IUWWNIBGYNBBGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021442
Brc1[nH]cc2C(CCc12)C(=O)O	PC-id_83911522	230.059	MGVXENNKZBPHGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021443
Brc1oc2C(CC(=O)c2c1)CN	PC-id_84049330	230.059	KBCRMEMVLZIRER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021444
Brc1oc2CN(Cc2c1)C(=O)C	PC-id_82390978	230.059	GGDNQOKNBIFMGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021445
Br[C@H]1[C@H](OC)c2n(C1=O)ccc2	PC-id_10633196	230.059	IUWWNIBGYNBBGQ-NKWVEPMBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021446
c12ccc(Br)n1CCC2C(=O)O	MCULE-8259135940,PC-id_83669131,EMOLS-id_207810347	230.059	RKRDVQXNEULMOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021447
c1(C(=O)O)cc(n2CCCc12)Br	EMOLS-id_96751802,MCULE-2497285467,PC-id_84048965	230.059	UPMRPDZHVMYLTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021448
CC(=O)c1cc(c2n1CCO2)Br	PC-id_96600887	230.059	DACMNRNGUCHGIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021449
CC(=O)N1CCc2c1oc(c2)Br	PC-id_96600888	230.059	KZYLHUWLPZJUKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021450
CN1CC(=O)c2c1c(Br)c(o2)C	PC-id_98009717	230.059	HQTDFRQFDHHLGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021451
OC(=O)c1[nH]c(Br)c2CCCc12	EMOLS-id_337791691,PC-id_84017177	230.059	WXZBOIHTBMMVFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021452
BrCC(=O)N1Cc2c(C1)cn[nH]2	MCULE-3779732081,EMOLS-id_96760485	230.062	LJXSUKXZRFPHRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021453
c12N(C)CCn1nc(Br)c2C=O	EMOLS-id_317868529,MCULE-8255928384	230.062	HNAYHKLPXCJRKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021454
Brc1sc2COCc2c1C#N	MCULE-5727279620,EMOLS-id_331063087	230.082	MMNNIBXPCRHALU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021455
CC1CC2=C(C1(F)F)N(N=C2C)CC(=O)O	PC-id_153569905	230.087	PREWZVBOPHSEED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021456
Brc1c2c(oc1C(C)C)CNC2	PC-id_84793454	230.102	PUOZZNCOVLJZIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021457
Brc1c([nH]c2c1COC2)C(C)C	PC-id_84793455	230.102	WHLMDZPCMOUYII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021458
Brc1oc2C(CCc2c1)CCN	PC-id_83911523	230.102	WCIRIIFFNIUHKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021459
Brc1oc2C(CCc2c1)CNC	PC-id_83911525	230.102	YLDZMBWFCOBRLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021460
Brc1oc2c(C(CC2)CCN)c1	PC-id_83911524	230.102	BYNDARKPRQTVIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021461
Brc1oc2c(C(CC2)CNC)c1	PC-id_83911526	230.102	UHWQBZYQBCUHST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021462
BrCc1noc2c1CCC2(C)C	PC-id_80463475,EMOLS-id_96533281	230.102	SAPBCZIFROQOAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021463
CCC1CCc2c1onc2CBr	PC-id_116177562,EMOLS-id_96566813	230.102	DNVJINAXDVFQRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021464
Brc1n(nc2c1C(CC2)CN)C	PC-id_83911534	230.105	NTSWQXBHIRZLPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021465
Brc1nn(c2c1C(CC2)CN)C	PC-id_83911535	230.105	RLAOITRBJWCQFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021466
Brc1nn(c2c1CNC2)C(C)C	PC-id_105487456	230.105	PLNZJLSXQUPXCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021467
Brc1n(nc2c1C(NC)CC2)C	PC-id_83911538	230.105	KYPRAJTWPMGCAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021468
Brc1nn(c2CCC(NC)c12)C	PC-id_83911539	230.105	KCOGFWSNFOZMIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021469
Brc1n[nH]c2c1C(CC2)CCN	PC-id_83911531	230.105	BBEINFARMTUWLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021470
Brc1n[nH]c2c1C(CC2)CNC	PC-id_83911532	230.105	YZXMFHJRYWYWTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021471
CC(C)c1nn2CCNc2c1Br	PC-id_136329535	230.105	GLQZVQRURWKQKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021472
CC(n1nc2c(c1Br)CNC2)C	PC-id_105487464	230.105	KJOCAACXLSQNCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021473
CCn1nc2c(c1Br)CN(C2)C	PC-id_105487465	230.105	LKRYAOJEPAXNRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021474
CCn1nc(c2c1CN(C2)C)Br	PC-id_105487457	230.105	NPAJMLKVHCVRJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021475
C1C2=C(CO1)N(N=C2CO)CC3=CC=CC=C3	PC-id_165387969	230.106	RXSGKJBXHBUNHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021476
C1C(OC2=CC=NN21)COCC3=CC=CC=C3	PC-id_165370050	230.106	HRVNTINZGKUFPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021477
CC1=C(C=CN1)C(=O)N[C@H]2CCN3C2=NC=C3	PC-id_164636494,ZINC22_1353699731	230.117	LVFRCXSBYJUPCK-JTQLQIEISA-N	00000010110000000001000010000000000000000000000000000000	25-01-021478
CC(C)N1C2=C(CCC2OC)C(=N1)C(F)F	PC-id_160047859	230.123	ZSSFPMGKPOAXOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021479
CC1=C(N=NC(=N1)NC2CC3=CN=CN3C2)C	EMOLS-id_317749194,PC-id_154786192,MCULE-8453350640	230.128	HHSILAXIFFCPRI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021480
CC1=NC(=NC=C1)NC2=NN(C3=C2CNC3)C	PC-id_151928779	230.128	SYIIQXYAFWMZOJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021481
CC1CCC2=NN=C(N12)C(=C)/C=CC=C(/C)N	PC-id_155158115	230.153	QTLCXMFCYPMMSW-VWJYOPCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021482
CC1Oc2c(O1)c(sc2C(=O)O)C(=O)O	PC-id_141095702	230.195	QURNWWGFVVFNIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021483
Fc1ccc(/C=N/C2n3ncnc3N=N2)cc1	PC-id_24869353	230.201	FCDDLOZPTYAPQG-LFYBBSHMSA-N	00000011100000110001000010000000000000000000000000000000	25-01-021484
Fc1ccc(C=NC2n3ncnc3N=N2)cc1	PC-id_74339587	230.201	FCDDLOZPTYAPQG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-021485
c1(C(F)F)c2CCCc2n(CC(=O)OC)n1	PC-id_19616888,CoCoCo_6654275,ZINC22_12394945,TIMTEC128938,EMOLS-id_8873414,MCULE-5244964687	230.211	DPNFIUWLSAKCJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021486
c1(C(=O)O)c2C(C)CCc2n(CC(F)F)n1	MCULE-8466666348,EMOLS-id_330986235	230.211	IWEDRMDWCMEJJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021487
c1(C(=O)OC)c2CCCc2n(CC(F)F)n1	EMOLS-id_324387666,MCULE-6444250008	230.211	HKJPJHXLWOAPSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021488
CC1CCc2nn(CC(F)F)c(C(=O)O)c12	EMOLS-id_330970556,MCULE-1546015900	230.211	GELDNCDJWOSQGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021489
CCc1n(CC(=O)O)nc2c1CCC2(F)F	PC-id_144694157	230.211	PDVJCARVXGZGCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021490
CCOC(=O)c1n[nH]c2CC(Cc12)C(F)F	EMOLS-id_324130245	230.211	ABYMONGGYXCWRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021491
Cn1nc2CCCc2c1CC(F)(F)C(=O)O	EMOLS-id_259660558,MCULE-5482253883	230.211	USKKUNIHJCFTIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021492
COC(=O)c1c2CCCc2nn1CC(F)F	EMOLS-id_317868283,MCULE-9972234821	230.211	PFPOQVOIWADPGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021493
Ic1ncn2CC=Cc12	PC-id_85838920	232.022	FDHMXNUEDOFVGY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021849
OC(=O)CC(C(F)F)c1n[nH]c2CCCc12	MCULE-6240538771,EMOLS-id_314011709	230.211	RUBDAFGMHSUJAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021494
c1(C(=O)NC)c2CNCc2nn1CC(F)F	MCULE-2973352211,EMOLS-id_324353388	230.215	KSCLPJWJNADTIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021495
O=C(C1NCc2c1c[nH]n2)NCC(F)(F)C	EMOLS-id_319280071	230.215	JQMFEBHJDHQVRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021496
O=C(C(F)F)NC(c1nnc2n1CCC2)C	PC-id_103515069	230.215	YUUKGDLANFQSFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021497
O=C(N(Cc1nnc2n1CCC2)C)C(F)F	PC-id_103515119	230.215	NDCZILGTLTZMFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021498
O1Cc2n(Cc3ccccc3)c(=O)[nH]c2C1=O	PC-id_11031677,SCHEMBL9046692	230.219	VARNFTUVJAJBBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021499
O=Cc1nn(c2c1OCO2)Cc1ccccc1	PC-id_96600811	230.219	HEYKRXAXLSIWSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021500
Cn1ncc(n1)C=C1C(C)n2c(C1=O)ncn2	EMOLS-id_278712928	230.226	ARYNPXUFUUGHSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021501
c1(C(F)(F)F)c2CCCc2n(CC2CC2)n1	PC-id_121214522,MCULE-8366590459,EMOLS-id_70119177	230.23	LHUFSBMCQMODID-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021502
C=C1CCc2c1n(nc2C(F)(F)F)C(C)C	PC-id_90162144,SCHEMBL15723731	230.23	OXSAOZDBYXCERD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021503
Fc1ccc(C=Nc2onc3CCCc23)cc1	PC-id_58664477	230.238	HIJVWJLYWBIRPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021504
S1(=O)(=O)C(c2c(C1)coc2)C(=O)OCC	PC-id_85652751	230.238	AGEOZMFBIPUGQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021505
S1(=O)(=O)Cc2c(oc(c2CC(=O)O)C)C1	PC-id_84793583	230.238	BZDKBXQZHXOEET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021506
CCn1nc2c(c1C(=O)O)CS(=O)(=O)C2	PC-id_105487672	230.241	GMBXMABHUGQNQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021507
CCn1nc(c2c1CS(=O)(=O)C2)C(=O)O	PC-id_105487669	230.241	DYRUKONNGQHMDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021508
CC(=O)OCc1cn2c(n1)S(=O)(=O)CC2	PC-id_18183092,SCHEMBL7184573	230.241	XFCNLRZGKLLWAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021509
S1(=O)(=O)CCn2c1nc(c2)CCC(=O)O	PC-id_82662911	230.241	OFQVZIJLSBKYDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021510
S1(=O)(=O)CCn2nc(cc12)CCC(=O)O	PC-id_82662912	230.241	APUFPLFXJJPRJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021511
NC(=O)C1NCc2c1cnn2S(=O)(=O)C	PC-id_141411275	230.244	XNSVBAKPTVWHCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021512
NC(=O)[C@@H]1NCc2c1cnn2S(=O)(=O)C	PC-id_141411251	230.244	XNSVBAKPTVWHCZ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021513
NC(=O)[C@H]1NCc2c1cnn2S(=O)(=O)C	PC-id_141411255	230.244	XNSVBAKPTVWHCZ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-021514
n12ncnc1sc(=Cc1cccnc1)c2=O	MCULE-9482796364	230.246	TUHJDAQHARRHSW-UHFFFAOYSA-N	00000000100000101001000010000000000000000000000000000000	25-01-021515
n12ncnc1sc(=Cc1ccncc1)c2=O	MCULE-1553777867	230.246	YBALEUOHEOAZKH-UHFFFAOYSA-N	00000000100000101001000010000000000000000000000000000000	25-01-021516
S(c1nn2c(N=NC2=O)c1)c1ccccc1	PC-id_85571156	230.246	YFRGAJZYASXGMO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-021517
CC(C)n1c2c(C(CC2)O)c(n1)C(C)(F)F	SCHEMBL15723832,PC-id_90162237	230.254	PNCGRKGBJGGXEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021518
FC(C(NC(c1nnc2n1CCC2)C)C)F	PC-id_102869005	230.258	VLTBNOXLXSTGKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021519
FCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_107781943	230.259	LITNOKJJCRRFEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021520
FSn1nc(c2c1CC(C2)(C)C)C(=O)O	PC-id_144567340	230.259	OFUYMCRYRGYWLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021521
O=COc1c(sc2c1CSC2)C(=O)O	PC-id_121262703,SCHEMBL17661655	230.261	UUOKKCCUFYNIPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021522
OC(=O)c1sc2c(c1C(=O)O)CSC2	SCHEMBL16378701,PC-id_117805791	230.261	WCSZZDBHBUHBHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021523
S1C(c2c(C1C(=O)O)csc2)C(=O)O	PC-id_615471	230.261	VHPJQWGCAAGTIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021524
S1Cc2c(C1)c(sc2C(=O)O)C(=O)O	PC-id_615472	230.261	SNIHOULXQILLSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021525
C1c2c([nH]c(c2CN1Cc1ccccc1)O)O	PC-id_91475652	230.262	SDPCSJCPQSGLBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021526
C=C/C=CC=C(C1COc2n1c(C=O)cn2)/C	PC-id_142091426	230.262	AVHWVPFAYYNPKR-VWJYOPCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021527
o1[nH]c2CN(C(c2c1=O)C)Cc1ccccc1	PC-id_83850337	230.262	FYBSFDYQFIGQPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021528
Oc1ccc(Cc2n[nH]c3CCCc23)cc1O	EMOLS-id_337933846	230.262	XWYSOPAWSUFCPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021529
Oc1n(c(O)c2c1CNC2)Cc1ccccc1	PC-id_54177302	230.262	OZHLADOZOYCXEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021530
Oc1n(c(O)c2NCCc12)Cc1ccccc1	PC-id_54005237	230.262	KOJSLDVWSAGALZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021531
c1(N(=O)=O)c2CSCc2sc1C(=O)N	EMOLS-id_330874180,MCULE-4801452106	230.264	QNPQELHJBJCSSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021532
Cc1cccn(c1=O)Cc1nnc2n1CCC2	EMOLS-id_318400610	230.266	NYJHDRPSERHLPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021533
Cc1ccn(c(=O)c1)Cc1nnc2n1CCC2	EMOLS-id_318400866	230.266	FNJWBZCOUNZRMW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021534
Cc1ncccc1OCc1nnc2n1CCC2	EMOLS-id_320078369,MCULE-9816070929	230.266	HNBQRUNRNMKRGM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021535
Cc1[nH]ccc1C(=O)N[C@@H]1CCn2ccnc12	ZINC22_1353699734	230.266	LVFRCXSBYJUPCK-SNVBAGLBSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021536
CCc1[nH]ccc1C(=O)N1CCn2c1ncc2	EMOLS-id_319138037	230.266	BJJVCRPSUMTYLX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021537
Cn1cccc1C(=O)N[C@@H]1CCn2cncc12	ZINC22_857992011	230.266	RIHDLTQBLQBMSY-SECBINFHSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021538
Cn1cccc1C(=O)N[C@H]1CCn2cncc12	ZINC22_857992012	230.266	RIHDLTQBLQBMSY-VIFPVBQESA-N	00000010110000000001000010000000000000000000000000000000	25-01-021539
Nc1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_40006474,PC-id_63771342	230.266	YISJWGDGOIKFDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021540
Nc1cccc(c1)OCc1nnc2n1CCC2	PC-id_55243822,EMOLS-id_40006472	230.266	FEUYWMURUVAGJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021541
Nc1ccccc1OCc1nnc2n1CCC2	PC-id_63745871,EMOLS-id_40006374	230.266	WVOWTZAXAIDONC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021542
N#CC1(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318792602	230.266	GVYLCZCOPQWAJO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021543
N#CC1(C)CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102699040	230.266	JEDNHCALKDKKDI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-021544
Oc1ccc(cc1)NCc1nnc2n1CCC2	PC-id_54924300,EMOLS-id_37876890	230.266	JUWXJOGOGRYAPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021545
O=C(c1cccn1C)NC1CCn2c1cnc2	MCULE-1275540021,EMOLS-id_316996876	230.266	RIHDLTQBLQBMSY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021546
O=C(c1ccc[nH]1)NCc1cnc2n1CCC2	MCULE-3860049390,EMOLS-id_319907488	230.266	ORFOBGUMBOZNRV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021547
O=C(c1ccc[nH]1)NCc1n[nH]c2c1CCC2	EMOLS-id_319321895	230.266	CRQAYXORRJUTCV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021548
O=C(c1cc[nH]c1C)NC1CCn2c1ncc2	MCULE-3143764501,EMOLS-id_317038611	230.266	LVFRCXSBYJUPCK-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021549
O=C(c1c[nH]cc1)NCc1cnc2n1CCC2	MCULE-7800008850,EMOLS-id_320277670	230.266	OUYSWYOFEGOVRQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021550
O=C(c1c[nH]cc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318848021	230.266	HAKYXJJYQXMXCR-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021551
c12C(C)CCc1nn(Cc1ccc(cc1)F)c2	MCULE-2441758105,EMOLS-id_330999716	230.281	DSKCOOFMEXEZCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021552
c12C(C)CCc1nn(Cc1ccccc1F)c2	MCULE-3584300618,EMOLS-id_330998181	230.281	UXSUBFQGOXBBNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021553
c12C(C)CCc1nn(Cc1cccc(F)c1)c2	EMOLS-id_331000741,MCULE-8550831458	230.281	NCYZFUXTUKMQCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021554
CC1CCc2c1cnn2Cc1ccccc1F	MCULE-5136064612,EMOLS-id_331016423	230.281	XGYIBRGIMJYTNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021555
CC1CCc2c1cnn2Cc1cccc(F)c1	EMOLS-id_331014888,MCULE-5980325865	230.281	WKIPQIYZFULNFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021556
CC1CCc2c1cnn2Cc1ccc(F)cc1	MCULE-7206786719,EMOLS-id_331017958	230.281	JGKITSBPVRFGLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021557
CC(c1n[nH]c2CCCc12)c1ccccc1F	EMOLS-id_337935892	230.281	AJRVRPMHHMTYRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021558
CC(c1n[nH]c2CCCc12)c1cccc(F)c1	EMOLS-id_337934101	230.281	QBMHJFNTJSBFBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021559
CC(c1n[nH]c2CCCc12)c1ccc(F)cc1	EMOLS-id_337932310	230.281	XDYYWKQKCVOTNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021560
CC(Cn1[nH]c2c(c1=O)CS(=O)(=O)C2)C	PC-id_105488166	230.284	NLBMKDPVQSSQJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021561
CC(Cn1[nH]c(=O)c2c1CS(=O)(=O)C2)C	PC-id_105488161	230.284	GAXVWTNXXFOEPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021562
CC(n1[nH]c(=O)c2c1CS(=O)(=O)C2)(C)C	PC-id_105488160	230.284	QPPPMJIPVUPBPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021563
O=c1c2CS(=O)(=O)Cc2[nH]n1C(C)(C)C	PC-id_105488165	230.284	LXVIMBPCDUXALJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021564
Oc1n(CCS(=O)(=O)C)nc2c1CCC2	EMOLS-id_41629716	230.284	TUIWWKYKAJSGAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021565
S1(=O)(=O)Cc2c(nn(c2OC)C(C)C)C1	PC-id_59050155	230.284	QAJKTHJWCRKCGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021566
S(=O)(=O)(CCn1[nH]c2c(CCC2)c1=O)C	PC-id_66022157	230.284	ZWFLCNSFFXVNIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021567
S(=O)(=O)(Nc1onc2c1CCC2)C(C)C	PC-id_58664482	230.284	YJBHRPRBHWOXML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021568
CC/C=C/C=C
/c2cc[pH]c2C(C1=C)(C)C	PC-id_134594056,SCHEMBL20247540	230.285	YFLBBXSDDIXPND-ZYUHXDNHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021569
Cc1csc2c1C(=Cc1ccc[nH]1)C(=O)N2	PC-id_91467724	230.286	YAWQRWROSQBUEC-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021570
Cc1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	PC-id_18627020,SCHEMBL6627784	230.286	OSRJNTXTPCQACP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021571
Cc1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	PC-id_67551183,SCHEMBL6627781	230.286	OSRJNTXTPCQACP-RMKNXTFCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021572
Cc1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL6627466	230.286	OSRJNTXTPCQACP-TWGQIWQCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021573
O=C1Nc2c(/C/1=C/c1cccn1C)ccs2	SCHEMBL7153983	230.286	IDPUXWTVVWULJO-YFHOEESVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021574
O=C1Nc2c(/C/1=Cc1cccn1C)ccs2	SCHEMBL7153987,PC-id_18627026	230.286	IDPUXWTVVWULJO-JXMROGBWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021575
O=C1Nc2c(C1=Cc1cccn1C)ccs2	SCHEMBL7153991,PC-id_22976040	230.286	IDPUXWTVVWULJO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021576
O=C1N(Cc2ccccn2)Cc2c1ccs2	PC-id_140122567	230.286	DXLJPCITEAFCCY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021577
O=C1N(Cc2cccnc2)Cc2c1ccs2	PC-id_140122499	230.286	BBTAJNWONIXESM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021578
O=C1N(Cc2ccncc2)Cc2c1ccs2	PC-id_140122522	230.286	XOOFQCQIBHXBJF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021579
O=C1N(Cc2ccncc2)Cc2c1scc2	PC-id_140122566	230.286	AGDLPQVVKGYGSI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021580
O=C(c1sc2c(c1)CCC2)c1cncnc1	PC-id_114965912	230.286	NEMREIBBSMCAMO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021581
O=C(c1sc2c(c1)CCC2)c1nccnc1	PC-id_114973129	230.286	MXGMKCLNODTVQH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021582
s1c2NC(=O)C(=Cc3[nH]ccc3C)c2cc1	PC-id_85054072	230.286	WYBUZKNPKCCPLV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021583
CCNN1Cc2c(C1)cn(n2)S(=O)(=O)C	PC-id_144500086	230.287	HZNROWHVBTUOSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021584
CCN(S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_316617018	230.287	UBXBIXDGGZOKEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021585
CNS(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318174419	230.287	BDWFAHUKHJQKIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021586
NCCNS(=O)(=O)c1cnc2n1CCC2	ZINC22_225424815,EMOLS-id_302108436,PC-id_100627011,MCULE-7506436915	230.287	OIDGCNUCZICNGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021587
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)C	PC-id_60713810	230.287	GNFCEZMEMXRNKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021588
S(=O)(=O)(NC(c1n2CCCc2nn1)C)C	PC-id_63738505	230.287	REPFDMYEIQRZJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021589
c1(C(=O)OC)c2CSCc2sc1OC	EMOLS-id_331061801,MCULE-4411143414	230.304	NMWCQPCZMOPNIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021590
CCCC1C(=O)c2c(S1(=O)=O)scc2	PC-id_21735856,SCHEMBL9653835	230.304	BRYNYABZLWJFKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021591
s1c2c(C(N(Cc3ccccc3)C2=O)[2H])cc1	PC-id_14249886	230.304	LHYRHBJYNALRII-QOWOAITPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021592
C/C=CC=c
/c(=CC)/n(c2c1C(=O)N(C2)C)C	PC-id_144103684	230.306	MXIDAJQRYFMOKC-GREXHDSSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021593
c1(N(=O)=O)c(CNC)sc2CSCc12	MCULE-1540951101,EMOLS-id_330874436	230.307	VOASDCNWPBFAGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021594
S1(=O)(=O)N=C(C(C)(C)C)c2ncsc12	PC-id_21048568	230.307	PNDIYVSPKHOMBJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021595
S1(=O)(=O)N=C(C(C)(C)C)c2scnc12	PC-id_21048572	230.307	UWPMDCUPJPAZNY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021596
CCN1Cc2c(Cn3cccc3)nn(C)c2C1	ZINC22_96084473,EMOLS-id_46181951,PC-id_97405299	230.309	XDMXTKVWXFLSQY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021597
c1(C(O)c2ccccc2)cc2c(CCC2)s1	PC-id_61100556,MCULE-7753814336	230.325	QXPQEJGCRJBYAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021598
c1ccc(cc1)CSc1cn2c(n1)CCC2	CoCoCo_604931,CHEBI:121395,ChEMBL-DNDi_CHEMBL1393260,STOCK1S-39825,ZINC22_287062,GD-id_ZINC00287062,PC-id_788156,MCULE-8372105418,EMOLS-id_2012719,SCHEMBL18007524,CHEMBL1393260	230.329	MVZRNZSNBHONEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021599
c1ccc(cc1)CS[C@@H]1Cn2c(C1)ncc2	PC-id_139700746	230.329	IGHVPDLUKBHYIG-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021600
c1ccc(NCc2nc3c(s2)CCC3)cc1	PC-id_115887305,EMOLS-id_331181762,MCULE-7927671887,ZINC22_93063796	230.329	XDMLXKMHGBQKBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021601
c1(=Nc2ccc(cc2)C)scc2CCCn12	MCULE-6593271337,PC-id_714150,ZINC22_254710206	230.329	KVIHKJDUHMRPJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021602
c
(=N/c2ccc(cc2)C)/scc2CCCn12	TIMTEC274144,ZINC22_12447527,MCULE-6945837704,EMOLS-id_25980243	230.329	KVIHKJDUHMRPJC-YPKPFQOOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021603
c1(Nc2cccc(C)c2)sc2c(CCC2)n1	SPECS-id_AG-205/37081135,PC-id_685081,CoCoCo_140935,ZINC22_51905,EMOLS-id_1283054,MCULE-4192944381	230.329	YGTWJMQOZUIFEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021604
Cc1ccccc1Nc1sc2c(n1)CCC2	CoCoCo_140934,PC-id_785208	230.329	UAUWUGKZPKLVTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021605
Nc1ccc(Cc2nc3CCCc3s2)cc1	PC-id_28343220,MCULE-4850150880,EMOLS-id_41450869	230.329	KRRJIFXACUOYBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021606
Nc1cccc(Cc2nc3CCCc3s2)c1	EMOLS-id_207611990,MCULE-4757259425	230.329	BHXBQKUGRXIHJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021607
NC(c1sc2c(c1)CCC2)c1cccnc1	PC-id_115799103	230.329	GFFFNGIHFDPPIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021608
s1c2CCCc2nc1C(N)c1ccccc1	PC-id_24261747	230.329	XGLXTTYYPKYXPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021609
s1c(CNc2ccccn2)cc2CCCc12	PC-id_61208395,MCULE-4205056740,EMOLS-id_38138769	230.329	JBTBLFBYYSZTFR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021610
s1c(CNc2ccncc2)cc2CCCc12	EMOLS-id_38138771,MCULE-5019801008,PC-id_61208396	230.329	ORJPYMCUYOYHIK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021611
SC1CCn2c1c(nc2)Cc1ccccc1	PC-id_112484043	230.329	AWZSIRQHYAQIBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021612
S1(=O)(=O)C(c2c(C1(C)C)csc2)(C)C	PC-id_86219157	230.347	BAHNBVZJPBMGJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021613
S1(=O)(=O)C(c2c(scc2)C1(C)C)(C)C	PC-id_85617676	230.347	DMVFOQKTDDRMKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021614
CCn1c(C)c2c(c1C)C(CC2(C)C)(C)C#N	SCHEMBL11748244,PC-id_12369122	230.349	XWBPONKUMMMRLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021615
CS(=O)(=N)NCc1sc2c(c1)CCC2	MCULE-2201231797	230.35	ICRPVIWMOHBGRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021616
NCCCn1c(=S)n2n(c1=S)CCC2	PC-id_101630123	230.354	IDPMGINIHZOKNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021617
CC(C)(C)SC1c2cscc2CS1	PC-id_88674533,SCHEMBL10824604	230.413	DDJFLWSOSPVGKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021618
Clc1sc2C(CC(=O)c2c1)CC(=O)O	PC-id_84049413	230.668	QRJSWEKCYNJVIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021619
c1(C(=O)OCC)c2CCCc2sc1Cl	EMOLS-id_331061543,MCULE-6077354295	230.711	ULPIMDOLKXRICN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021620
c1(C(=O)OCC)c(Cl)c2c(CCC2)s1	EMOLS-id_330870095,MCULE-4825326092	230.711	JLODPYMILCKSIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021621
CCC1CCc2c1c(C(=O)O)c(s2)Cl	EMOLS-id_313643877,PC-id_114748441	230.711	HHQYFFWSHNUHQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021622
Clc1c2CCCc2sc1C(C)C(=O)O	PC-id_84794078	230.711	GTDAMQNWILPBBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021623
Clc1c2CCCc2sc1CCC(=O)O	PC-id_84794080	230.711	QEPKJGPIKUQMNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021624
ClCCCC1(OC(=O)c2c1scc2)C	PC-id_10998832	230.711	MDYSNYJQANAMRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021625
OC(=O)c1c(Cl)sc2c1C(C)(C)CC2	PC-id_114748425,EMOLS-id_107743567	230.711	HPAMTLIQUTZKAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021626
s1c2C(C(C(=O)O)C)CCc2cc1Cl	MCULE-3396378174	230.711	FMCWBNHMMRJMOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021627
c12CN(Cc1sc(Cl)c2C(=O)NC)C	MCULE-1340181218,EMOLS-id_331067177	230.714	QGMMHBDOTYCHGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021628
c1(C(=O)NC)sc2CN(Cc2c1Cl)C	MCULE-1087340683,EMOLS-id_330871879	230.714	LTCADPBWKOREAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021629
CC(C(=O)Nc1sc2c(n1)CCC2)Cl	EMOLS-id_38357427,PC-id_61508577	230.714	DKCWQOFSKPMNMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021630
C[C@@H](C(=O)Nc1sc2c(n1)CCC2)Cl	EMOLS-id_114779017	230.714	DKCWQOFSKPMNMS-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021631
Clc1sc2CCC(NCC(=O)N)c2c1	PC-id_81252875,EMOLS-id_107510559	230.714	UALPPNVWRTVABE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021632
ClCCC(=O)Nc1sc2CCCc2n1	PC-id_61508578,EMOLS-id_38357429	230.714	LJMNGEYGBKKUCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021633
C1=CC(=[Te])c2c1cc[nH]2	PC-id_136918789	230.721	FLOCQWOCCQDAND-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021634
CCC(n1nc2c(c1Cl)CSC2)CC	EMOLS-id_107296243,PC-id_83193545	230.757	CWAIJDXFIDHPSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021635
CC(n1nc2c(c1Cl)CSC2)C(C)C	EMOLS-id_114779611	230.757	RNYMORYVXCBJSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021636
Clc1n(nc2c1CSC2)CCC(C)C	PC-id_83193678	230.758	BWODPJOHFGXJAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021637
Clc1sc2c(C(NCCCN)CC2)c1	PC-id_81251307,EMOLS-id_313684300	230.758	DDEJRLDSUFCCQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021638
[B][C]1c2c([C](S1)Br)nsn2	PC-id_89189783	230.901	WCPYNKQDYLLLQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021639
CS(=O)(=O)N1C2=C(C=N1)C(NC2)C(=O)O	PC-id_153940567	231.031	CMRZDJFPYHUUPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021640
Ic1ccc2n1CC=C2	SCHEMBL18955356	231.034	INEZCFYIQIQWKG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021641
IC1C=Cn2c1ccc2	SCHEMBL18955355	231.034	XXPDZSHPIXMWPQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021642
Brc1oc2C(CCc2c1)C(=O)O	PC-id_83911597	231.043	OFMPBIHRZJDNEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021643
Brc1oc2CCC(c2c1)C(=O)O	PC-id_83911598	231.043	VIQZBLSOIYSVTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021644
Brc1n2CCC(c2nc1)C(=O)O	PC-id_84694121	231.047	VRRORUJLVIAQQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021645
Brc1n2C(CCc2nc1)C(=O)O	PC-id_84694123	231.047	BMHFKXCSEXCHCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021646
Brc1n[nH]c2CCC(c12)C(=O)O	PC-id_83911599	231.047	JXCXCBHJTKTWJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021647
c12CC(C(=O)O)Cn1c(Br)cn2	PC-id_84694122,EMOLS-id_317731419,MCULE-5525316213	231.047	YJDRWZMYCKQQLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021648
c1(C(=O)O)c2CCCn2nc1Br	MCULE-5823307713,ZINC22_701726695,EMOLS-id_317768827	231.047	XLLUMDPUGDCXQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021649
c1(C(=O)O)n2CCCc2nc1Br	MCULE-8450168724,PC-id_84029386,EMOLS-id_62514605	231.047	KKXWEZIFEKIZOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021650
c1(C(=O)O)nc2n(CCC2)c1Br	SCHEMBL19148226,MCULE-8420528345,PC-id_84029387,EMOLS-id_302598712	231.047	WWWNQHSOXIFOKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021651
OC(=O)c1c(Br)c2n(CCC2)n1	MCULE-1602999365,EMOLS-id_177339600,PC-id_84043252,ZINC22_211094788	231.047	LHUULALZSVGSSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021652
OC(=O)C1Cc2c(Br)cnn2C1	EMOLS-id_324139063,PC-id_105488792	231.047	HTKAZSBGAUCNOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021653
OC(=O)[C@H]1Cc2ncc(Br)n2C1	EMOLS-id_337387720	231.047	YJDRWZMYCKQQLM-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021654
O=C1c2cc(sc2C(=O)C1)Br	PC-id_139254645,MCULE-3458630116	231.067	XQOCRXREDWVVFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021655
c12c(c(c(n1C(C(=C2F)F)(F)F)F)F)F	SCHEMBL10853766,PC-id_88678458	231.07	XYUFFUPAGFDRFP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021656
FC1=C(F)C(c2n1c(F)c(c2F)F)(F)F	PC-id_140342342	231.07	IBMVBATXRVHEEZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021657
Brc1c2c(oc1C(C)C)COC2	PC-id_84794100	231.086	OJZAOQORGOZDTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021658
Brc1c(nn2CCOc12)C(C)C	PC-id_84043257	231.09	QXJUULNKYULQIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021659
Brc1n2CCCc2nc1C(O)C	PC-id_84694196	231.09	FSZMRLBBKGDXMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021660
Brc1nc2n(CCC2)c1C(O)C	PC-id_84694195	231.09	REMIJRUYQTVDSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021661
Brc1[nH]cc2C(N)(CCc12)CO	PC-id_83911603	231.09	FBRKTNBADAMQII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021662
Brc1[nH]cc2C(O)(CCc12)CN	PC-id_83911602	231.09	YNJXSFVXTRJSDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021663
Brc1nn(c2c1COC2)C(C)C	PC-id_105488827	231.09	FETKLCXTRLAXNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021664
Cc1nn2c(c1Br)OC(C2)(C)C	EMOLS-id_324017283	231.09	QEUIWCXKMZHKPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021665
CC(C)n1nc2COCc2c1Br	MCULE-2003330319,PC-id_105488831,EMOLS-id_324399188	231.09	KEABSZAXHJACPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021666
OC(CBr)c1n[nH]c2CCCc12	MCULE-5772171842,EMOLS-id_313953219	231.09	WJTDIQBIFPZVRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021667
BrCCCC1CCn2nnnc12	PC-id_15304952	231.093	JKJVQLQEZLVUQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021668
Brc1c2CCCc2sc1C=O	PC-id_71670902	231.11	NPAJRJKPTDQQBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021669
Brc1c2CC(C(=O)c2sc1)C	SCHEMBL817117,PC-id_12162490	231.11	OQRIBRWRIHZJOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021670
Brc1sc2CCCc2c1C=O	EMOLS-id_331059751,MCULE-9597944247	231.11	XDAXKKPUIOSLND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021671
Brc1sc(c2CCCc12)C=O	PC-id_82390764	231.11	CMEDRUDQRWNLBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021672
[se]1nnc2C(CCc12)C(=O)OC	PC-id_21680563	231.111	OWCNDJSCSFGFCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021673
CC1=NNC2=C1CC[C@H]2NC(=O)C3=CNN=C3	PC-id_153453454	231.112	MICONIYUJMWIFU-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021674
C1CC2=C(C1)NN=C2C(=O)NC3CCC4C3C4	PC-id_154805707	231.137	TVUORBPIPAAWHH-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-021675
BrC(c1c2CCCc2sc1)C	PC-id_71670775	231.153	ZGSHSGIEVHTGPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021676
BrC(c1sc2c(CCC2)c1)C	PC-id_71670958	231.153	PPOLUGMPLNONEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021677
BrCCc1cc2CCCc2s1	MCULE-3400208920,EMOLS-id_313956569	231.153	GDCDWDBVVCTYDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021678
[se]1nnc2C(OC(c12)(C)C)(C)C	PC-id_13720831	231.154	ZDKGJRRVHQMPGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021679
COC(=O)c1cc2c(o1)C(=O)NS2(=O)=O	MCULE-4232912341,EMOLS-id_208099984	231.183	NKHGBKACSIJOLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021680
O=Cc1oc(c2c1CS(=O)(=O)C2)[N+](=O)[O-]	PC-id_96600059	231.183	IQRPIMLRXSZAGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021681
S1(=O)(=O)c2n(C(=O)C1)c(nc2[N+](=O)[O-])C	PC-id_86191738	231.186	ZKOGVAFRQFCALW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021682
COC(=O)c1[nH]c2c(c1)C(C(C2)(F)F)OC	SCHEMBL1005579,PC-id_66874102	231.196	GNJUGXJOLWEKNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021683
c12N(CCn1nc(C(=O)OC)c2)CC(F)F	EMOLS-id_317876724,MCULE-2939920886	231.199	HQHKOWMOTOYHJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021684
c1(C(=O)OC)c2CNCc2nn1CC(F)F	EMOLS-id_324345194,MCULE-5385268285	231.199	LMWNYOMVJNJLOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021685
CCC(F)(F)C1CCc2nc(nn12)C(=O)O	SCHEMBL20262344,EMOLS-id_336483583,PC-id_134607462	231.199	UJGVLPCRYHKNFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021686
CCOC(=O)c1nc2c(n1C(F)F)CNC2	PC-id_118614652,SCHEMBL17380933	231.199	KXQPJUQDRFXSAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021687
Fc1ccccc1Cn1cc2c(c1)COC2=O	PC-id_102236453	231.222	OPZYVCREEASZDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021688
CS(=O)(=O)n1c2c(CN(C2)C(=O)O)cn1	PC-id_90007772,SCHEMBL15524703	231.229	AUXDRGZNZXJREM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021689
CS(=O)(=O)n1cc2CN(Cc2n1)C(=O)O	SCHEMBL15524327,PC-id_90007494	231.229	OWLZOWLFAZKTEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021690
CS(=O)(=O)NC(=O)c1cc2n(n1)CCO2	MCULE-3537108303,ZINC22_408474286,PC-id_136543508,EMOLS-id_112034533	231.229	OCWGBOXSGORFGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021691
OC(=O)c1nc2n(c1S(=O)(=O)N)CCC2	EMOLS-id_50869432	231.229	FTNYRDMPLOVBGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021692
OC(=O)CS(=O)(=O)N1Cc2c(C1)c[nH]n2	EMOLS-id_313592204,MCULE-5445977828	231.229	RGYCGELWKMJTDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021693
S1(=O)(=O)CCn2c1nc(c2)C(N)C(=O)O	PC-id_82663091	231.229	MZHHOMWXDQFJMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021694
OC(c1n(C)cc2OCOc12)c1ccccc1	PC-id_121226299,MCULE-5038051005	231.247	KCUXXADCTXWEKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021695
c1(N(=O)=O)c2CSCc2sc1C(=O)O	MCULE-5858692358,EMOLS-id_330872644	231.249	LCMQPEAFRCNDPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021696
c1(C(=O)NCc2ccco2)c2CCCc2[nH]n1	EMOLS-id_179744532,PC-id_110388819,MCULE-5570296051	231.251	DNUHVVCWVIEXMC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021697
c1(C(=O)NCc2ccco2)cn2c(CCC2)n1	EMOLS-id_321294548,MCULE-3668298735	231.251	HEACBHFMIYDGBG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021698
Cc1coc(c1)C(=O)NC1CCn2c1ncc2	EMOLS-id_320137209,MCULE-1662934266	231.251	VWDKOLONYAZWRB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021699
Cn1nc2c(c1NC(=O)c1ccco1)CCC2	CoCoCo_5272996,PC-id_30859093	231.251	TYBHGPGRVQAPGU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021700
O=c1n(Cc2ccccc2)c(=O)n2n1CCC2	PC-id_102523853	231.251	DUYQNQHEIYTIJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021701
O=C(c1ccco1)NCc1n[nH]c2c1CCC2	EMOLS-id_320156450,MCULE-3348993171	231.251	MOVWJCAUTZNUMX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021702
O=C(c1cocc1)NCc1cnc2n1CCC2	EMOLS-id_319326913	231.251	KFLFZGBGNRSZEP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021703
O=C(c1cocc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319912026,MCULE-6986858510	231.251	PORBEUAKIDLOOL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021704
c1cn2c(n1)N(Cc1noc(C3CC3)n1)CC2	ZINC22_931525401,PC-id_146139308	231.254	CZUHTOSJQXRBAE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-021705
c1(C(=O)Nc2ccn(C)n2)c2CCCc2[nH]n1	MCULE-1381954922,EMOLS-id_323259313	231.254	GWWFVEDOWLOPRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021706
Cc1[nH]cnc1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318351232	231.254	ZLQZICJFUPEIPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021707
CCn1ccnc1C(=O)N1CCn2c1ncc2	EMOLS-id_279043839	231.254	XEMNLPQXCWZPKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021708
Cn1ccnc1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318870817	231.254	GDBLLWXNQINTJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021709
Cn1ccnc(c1=O)NC1Cn2c(C1)cnc2	MCULE-5574867101,EMOLS-id_316276905	231.254	HDXLTHAUASFAEA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021710
Cn1ccnc(N[C@@H]2Cc3cncn3C2)c1=O	ZINC22_894995827	231.254	HDXLTHAUASFAEA-MRVPVSSYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021711
Cn1ccnc(N[C@H]2Cc3cncn3C2)c1=O	ZINC22_894995828	231.254	HDXLTHAUASFAEA-QMMMGPOBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021712
O=C(c1c[nH]nc1)NCc1cnc2n1CCC2	EMOLS-id_317956736	231.254	GMMRXEXPPGJIHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021713
O=C(c1c[nH]nc1)NCc1n[nH]c2c1CCC2	MCULE-8182755570,EMOLS-id_320086347	231.254	UWPASPKVYGNWFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021714
O=C(c1nccn1C)NC1CCn2c1cnc2	EMOLS-id_318903258	231.254	ZMRKCSCGBRTLQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021715
O=C(c1ncc[nH]1)NCc1cnc2n1CCC2	EMOLS-id_319806859	231.254	GVQMUYPLUJQHFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021716
O=C(c1[nH]c2c(c1)CCC2)Nc1cnnn1C	EMOLS-id_319025256	231.254	NATUNYOKFYXCFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021717
O=C(N1CCn2c1ccn2)CCc1[nH]ncc1	EMOLS-id_320257777,MCULE-7785029539	231.254	DJVVELMIZCJUGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021718
O=C(N1CCn2c1ncc2)c1nc([nH]c1C)C	MCULE-6349444387,EMOLS-id_258164356	231.254	ZUKCALSHHPXGFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021719
O=C(N1CCn2c1ncc2)CCc1c[nH]nc1	EMOLS-id_258164353	231.254	ZCENHICWKLVBFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021720
O=C(N1CCn2c1ncc2)CCn1cccn1	EMOLS-id_316586176	231.254	UQHKNKFRYMOTJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021721
FC(C(=O)NCc1sc2c(c1)CCC2)F	PC-id_103515564	231.262	LDAYAAZGEDOIKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021722
Fc1ccc(cc1)Cc1ncn2c1C(N)CC2	PC-id_112483945	231.269	QEGNQPXIRAJFLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021723
Fc1cccc(c1)Cn1nc2c(c1N)CCC2	EMOLS-id_41192209,PC-id_65348736	231.269	KKDIBISMUFMKMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021724
Fc1ccc(cc1)Cn1nc2c(c1N)CCC2	PC-id_65348735,EMOLS-id_41192207	231.269	CVWBGMXQFNOCJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021725
S1(=O)(=O)Cc2c(C1)coc2C(O)CNC	PC-id_82619475	231.269	MHWOTKNUAIPHAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021726
Cc1nc2n(c1N(S(=O)(=O)C)C)COC2	PC-id_59820612,SCHEMBL14024340	231.272	TXJHXJPRLBRORM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021727
CCn1c2CN(Cc2nc1S(=O)(=O)C)O	PC-id_118614260,SCHEMBL17380525	231.272	VSLZTKWMTKZGSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021728
CCS(=O)(=O)c1nc2c(n1C)CN(C2)O	SCHEMBL17380120,PC-id_118613864	231.272	SWIXOYPFGBYDLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021729
Cn1nc2c(c1N(S(=O)(=O)C)C)COC2	PC-id_59820656,SCHEMBL14024334	231.272	CHALTZDIWBIGKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021730
COC[C@H]1NCc2c1cnn2S(=O)(=O)C	PC-id_141411238	231.272	SGLKURONIAJCCL-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021731
COC[C@H]1NCc2c1cn(n2)S(=O)(=O)C	PC-id_141411271	231.272	IDRFTZTYYVOQGR-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021732
NCCCn1[nH]c2c(c1=O)CS(=O)(=O)C2	PC-id_105489485	231.272	AJQCINDXRSTLOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021733
C1CSc2c(nnn12)C(=O)c1ccccc1	PC-id_134912586	231.274	ILQQSEDOCCTOOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021734
O=C1Nc2c(/C/1=Cc1c[nH]nc1C)ccs2	PC-id_18626990,SCHEMBL6626363	231.274	CSYFNTWWAJGUAC-RUDMXATFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021735
O=C1Nc2c(C1=Cc1c[nH]nc1C)ccs2	PC-id_22976035,SCHEMBL6626364	231.274	CSYFNTWWAJGUAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021736
O=C1Nc2c(/C/1=C/c1c[nH]nc1C)ccs2	SCHEMBL6626360	231.274	CSYFNTWWAJGUAC-WTKPLQERSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021737
O=C1Nc2c(C1=Cc1[nH]cnc1C)ccs2	PC-id_22976041,SCHEMBL7151646	231.274	NTOAIKVYHLZCGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021738
O=C1Nc2c(/C/1=C/c1[nH]cnc1C)ccs2	SCHEMBL7151642	231.274	NTOAIKVYHLZCGD-YWEYNIOJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021739
O=C1Nc2c(/C/1=Cc1[nH]cnc1C)ccs2	SCHEMBL7151644,PC-id_18627030	231.274	NTOAIKVYHLZCGD-XBXARRHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021740
s1c2CCCc2c(c1NC(=O)CC#N)C#N	PC-id_46731749	231.274	CKFOQUYGOQONSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021741
S1c2n(nc(n2)Cc2ccccc2)C(=O)C1	PC-id_82357946	231.274	LWZMZJWXRPRNHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021742
CC(c1nnc2n1CCC2)NS(=O)(=O)N	PC-id_112690163,EMOLS-id_50771178	231.275	KABJGGJRPCBURN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021743
CN(S(=O)(=O)N)Cc1nnc2n1CCC2	EMOLS-id_50765558,PC-id_112684310	231.275	VARAXLGBIMUNFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021744
CC1=CCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_102638839	231.29	SFOIRZOPBLRAIT-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-021745
CC1=CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_102415225	231.29	WPMGAMQTQHJALB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-021746
C=C1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_102615624	231.29	HJWKNOIGTYNHJS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-021747
c12ccsc1C(=O)CC2NS(=O)(=O)C	EMOLS-id_42973415,PC-id_3748714,MCULE-9008265126	231.292	CXDWTGLWHCOLEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021748
CCc1c(C)sc2c1C(=O)NS2(=O)=O	PC-id_20471893,SCHEMBL11055780	231.292	GJWPHKSVOLAGIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021749
CS(=O)(=O)N[C@H]1CC(=O)c2sccc12	ZINC22_1386525,PC-id_1474701	231.292	CXDWTGLWHCOLEY-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-021750
CS(=O)(=O)N[C@@H]1CC(=O)c2sccc12	ZINC22_1386526,PC-id_1474702	231.292	CXDWTGLWHCOLEY-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021751
NC(=O)C1(C)Cc2c(S1(=O)=O)scc2	PC-id_19759896,SCHEMBL9458964	231.292	ALVRANLMHRIDQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021752
c1(C(=O)N(CC=C)CC=C)c2CCCc2[nH]n1	EMOLS-id_323257270,MCULE-4194335522	231.294	XMCJHMASYONKJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021753
CC1=CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102577417	231.294	KBCHXTAEXUCPGU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-021754
C=C1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_102787641	231.294	CTTHWSVAZZDQSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-021755
CC1=CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_102816882	231.294	KEVDTAXYCKMPRK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-021756
C=C1CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102787656	231.294	LPSSBHJVZQWMRK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-021757
CC1=CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102848764	231.294	QBRAHBZUSLNTBF-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-021758
C=C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102358240	231.294	RECFNIYDZOPQGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-021759
CC1=CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102412775	231.294	IVRSWTLBNBZZEM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-021760
Cn1nc2c(c1CNCc1ccco1)CCC2	ZINC22_225521129,EMOLS-id_53845043,PC-id_91623972,MCULE-7306205153	231.294	OFENGLDQZMYLRE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021761
n1(CC2CCCCC2)nc2c(COC2)c1C#N	EMOLS-id_324401756,MCULE-7201940917	231.294	SFCYEDCIQVTDJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-021762
O=C(C1CC=CC1)NCc1cnc2n1CCC2	EMOLS-id_318884564	231.294	WLMBOGCZGKKQOG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021763
O=C(C1CC=CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319277339	231.294	DOMWMTNKJUSCTR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021764
O=C(c1n[nH]c2c1CCC2)NC1CC2C(C1)C2	EMOLS-id_102233989	231.294	ZGVMULLFWYAOJB-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-021765
O=C(c1n[nH]c2c1CCC2)NC1CCCC=C1	EMOLS-id_99864638	231.294	FLQGENZUJWUMTJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-021766
O=C([C@@H]1CCc2c[nH]nc12)N1CC[C@@H]2C[C@H]2C1	ZINC22_2325766578	231.294	VXDMZWOYUZBHKU-DVVUODLYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-021767
O=C([C@@H]1CCc2c[nH]nc12)N1CC[C@@H]2C[C@@H]2C1	ZINC22_2325766579	231.294	VXDMZWOYUZBHKU-FBIMIBRVSA-N	00100010100010000001010010000000000000000000000000000000	25-01-021768
O=C([C@@H]1CCc2c[nH]nc12)N1CC[C@H]2C[C@H]2C1	ZINC22_2325766580	231.294	VXDMZWOYUZBHKU-INTQDDNPSA-N	00100010100010000001010010000000000000000000000000000000	25-01-021769
O=C([C@@H]1CCc2c[nH]nc12)N1CC[C@H]2C[C@@H]2C1	ZINC22_2325766581	231.294	VXDMZWOYUZBHKU-JMJZKYOTSA-N	00100010100010000001010010000000000000000000000000000000	25-01-021770
S1NSc2nn(c(c12)C(=O)OCC)C	PC-id_70378432	231.295	UOSANNTZKFJDAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021771
c1(C(C)NCc2ccc[nH]2)nnc2CCCn12	PC-id_62339741,MCULE-9261299503	231.297	GDTHKBNWHYCEPK-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021772
CC(C)n1nc(Cn2cccn2)c2c1CNC2	ZINC22_96259184,PC-id_97519269,EMOLS-id_44369914	231.297	LWSGKAPRKQAAAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021773
n12CCCc1nnc2C(NCc1c[nH]cc1)C	PC-id_66409181	231.297	HZJQRCMMWNWBOG-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-021774
n1(CC2CC2)c(CCN=N#N)c2c(CCC2)n1	PC-id_121214364,EMOLS-id_70118716,MCULE-8406067780	231.297	ZCRWQSQWTADTOK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021775
CC(C(F)F)NCc1sc2c(c1)CCC2	PC-id_102869276	231.305	BTWMDOLCDACKCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021776
CC(N)(Cc1cc2CCCc2s1)C(F)F	EMOLS-id_314011094,MCULE-3747663813	231.305	NYAQRWZOMRUDCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021777
FC(CNCc1csc2c1C(C)CC2)F	PC-id_114749103	231.305	NONDXWFQMZAXNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021778
OC(c1sc2c(c1)CCC2)c1cccnc1	PC-id_114980045	231.313	CPDZEKPKNMCNEY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-021779
s1c2CCCc2nc1C(O)c1ccccc1	PC-id_63346305	231.313	XNMJTYIJVFQMRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021780
s1c2[C@H](O)C[C@H](N(CC#C)CC#C)c2cc1	PC-id_52915622	231.313	RHVYCFDAIXJEFX-NWDGAFQWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021781
s1c2[C@@H](O)C[C@H](N(CC#C)CC#C)c2cc1	PC-id_52915623	231.313	RHVYCFDAIXJEFX-RYUDHWBXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021782
s1c2C(O)CC(N(CC#C)CC#C)c2cc1	PC-id_75952576	231.313	RHVYCFDAIXJEFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021783
c12CN(Cc1sc(N)n2)Cc1ccccc1	PC-id_71695477,EMOLS-id_45814547,MCULE-7272042437	231.317	JCKFOAYZVWVYCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021784
c1ccc(cn1)NCc1sc2c(n1)CCC2	PC-id_115887847	231.317	YWCBQQASBIBQJI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021785
c1ccc(nc1)NCc1sc2c(n1)CCC2	PC-id_115887306	231.317	FRKNJXZRKBYINL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021786
c1ccc(nn1)NCc1sc2c(c1)CCC2	PC-id_62482019,EMOLS-id_39101626	231.317	NTUIVPDQLXWXFW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021787
c1cnc(nc1)NCc1sc2c(c1)CCC2	PC-id_61208389,EMOLS-id_38138761	231.317	JIADDSQTAJHXFP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021788
c1ncc(nc1)NCc1sc2c(c1)CCC2	PC-id_61208572,EMOLS-id_38138759	231.317	YIUTZWYIWINAPX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021789
C[C@H]1Cn2c(Cc3ccccc3)nnc2S1	PC-id_92298806,CoCoCo_5665913,ZINC22_6481664	231.317	OXSIOMYHMIOJAN-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-021790
C[C@@H]1Cn2c(Cc3ccccc3)nnc2S1	ZINC22_5760721,CoCoCo_5665912,PC-id_92278618,NSC609097	231.317	OXSIOMYHMIOJAN-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021791
n1ccc(nc1)NCc1sc2c(c1)CCC2	EMOLS-id_38167846,PC-id_61253593	231.317	RHJNFCJMEJOQCS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021792
NC(c1sc2c(c1)CCC2)c1cncnc1	PC-id_115826990	231.317	SXPFKGKWSZLBDU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021793
NC(c1sc2c(c1)CCC2)c1nccnc1	PC-id_115860338	231.317	XPYXRTGKNWMLOB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-021794
s1c2CCCc2nc1C(N)c1cccnc1	PC-id_61331688	231.317	ZPCPOZHKYZOYAX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021795
S1C(Cn2c(nnc12)Cc1ccccc1)C	PC-id_355465	231.317	OXSIOMYHMIOJAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021796
SC1CCn2c1c(nc2)Cc1ccccn1	PC-id_112483858	231.317	ICZQUHLXAUKMOR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021797
SC1CCn2c1c(nc2)Cc1ccncc1	PC-id_112483857	231.317	ZSHHQCVFYBFMHS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021798
S(C1=C(C(=N)n2c1cc(c2C)C)C#N)CC	PC-id_71377489	231.317	WIAHIMWYVZNPGZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021799
S=c1n(c2CCCc2[nH]1)Cc1ncccc1	PC-id_10537502	231.317	GYUHCXIWURQRBR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021800
O=Cc1cc2c([nH]1)CCC2CC1CCCCC1	PC-id_144126357	231.333	CUQXBXWEAQRBPB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-021801
O=C(C1CCCCC1)c1c2n(CCC2)c(c1)C	PC-id_11806513	231.333	CPXCXIGEEZOEDL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-021802
Cc1cc2c(s1)CN(S2(=O)=O)C(C)C	PC-id_90315782,SCHEMBL15919084	231.335	NBMPLTTWRFCQBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021803
CC(CN1Cc2c(S1(=O)=O)ccs2)C	PC-id_58799591,SCHEMBL7850421	231.335	SQMAXQFISZOKIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021804
CC(CN1Cc2c(S1(=O)=O)csc2)C	PC-id_58800035,SCHEMBL8283573	231.335	CRQHPEFCXWWXDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021805
CC(N1Cc2c(S1(=O)=O)ccs2)(C)C	PC-id_59551184,SCHEMBL11930026	231.335	HCFGSWYCIAMKMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021806
O=S1(=O)Cc2c(C1)nc(s2)C(C)(C)C	SCHEMBL12340961,PC-id_59463895	231.335	GAVRJELGWUAQIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021807
s1c2c(CCC2)cc1CNS(=O)(=O)C	PC-id_61940933	231.335	MOAOZQXHVGXMBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021808
S(=O)(=O)(N1CC(c2c1csc2)(C)C)C	PC-id_21300181	231.335	GYIRLGCOOOJPGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021809
S(=O)(=O)(N1CC(c2sccc12)(C)C)C	PC-id_21300182	231.335	RISSYYYYGMJUMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021810
c1(C#N)c2C(C)CCc2n(CCC(C)(C)C)n1	EMOLS-id_331024640,MCULE-6949232014	231.337	ZMQICOQIGWNKPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021811
c1(C#N)c2C(C)CCc2nn1CCC(C)(C)C	MCULE-7733887170,EMOLS-id_331006896	231.337	QNQZMQVZEHUWDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021812
CC1CC(c2n1ccn2)N[C@@H]1C[C@H]1C1CCC1	EMOLS-id_319051583	231.337	MXMPOIAAAXKNDN-QYIFAOSHSA-N	00101010100000000001100010000000000000000000000000000000	25-01-021813
Cc1ccc(Nc2[n+]3CCCc3cs2)cc1	MCULE-5657961616,EMOLS-id_317420660	231.337	KVIHKJDUHMRPJC-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-021814
CCC(CC)Cn1nc2CCC(C)c2c1C#N	EMOLS-id_331007920,MCULE-9987385042	231.337	KVDBWUKRFZELII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021815
CCC(CC)Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331025664,MCULE-5621824843	231.337	ZVXBVUBJAGJYCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021816
CC(n1nc2CCC(C)c2c1C#N)C(C)(C)C	MCULE-2014337635,EMOLS-id_331009200	231.337	IZGOMSKRLCVEQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021817
CC(n1nc(C#N)c2C(C)CCc12)C(C)(C)C	MCULE-7141243465,EMOLS-id_331023105	231.337	TYPBXAZTTPCPHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021818
S(c1[nH]c2[n+](CCC2)c1)Cc1ccccc1	PC-id_3500557	231.337	MVZRNZSNBHONEQ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-021819
CCS(=O)(=N)Nc1sc2c(n1)CCC2	MCULE-4189345365	231.338	ZNTPPFDSRKFUAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021820
s1c2CN(Cc2sc1=S)CCCC	PC-id_10799546	231.401	DZLBEYPPDNPJII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021821
Clc1nc2SCCn2c1C=C[N+](=O)[O-]	PC-id_85587991	231.659	UTLWTYSAAUMBHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021822
c12CN(Cc1sc(Cl)c2C(=O)OC)C	MCULE-2387710393,EMOLS-id_331064617	231.699	YFSUOFDRZIJDDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021823
c1(C(=O)OCC)c2CNCc2sc1Cl	EMOLS-id_331066413,MCULE-4139530360	231.699	ROAHJOVDGIMOMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021824
c1(C(=O)OC)sc2CN(Cc2c1Cl)C	EMOLS-id_330874182,MCULE-7053551946	231.699	HGGBXWQFTGAKDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021825
CCOC(=O)S1(Cl)C=Cc2c1cc[nH]2	PC-id_142698080	231.699	GYQVPQGMTBQYJW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021826
Clc1c2CCCc2sc1C(N)C(=O)O	PC-id_84795141	231.699	GAIQXLVMOAARBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021827
Clc1sc2CCC(NCC(=O)O)c2c1	EMOLS-id_266535374,PC-id_81252781	231.699	MRHLLIUULVHMFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021828
Clc1sc2c(C(N)(CC2)C(=O)OC)c1	PC-id_83911673	231.699	FSYUDWUWUUNFNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021829
Clc1sc2C(N)(CCc2c1)C(=O)OC	PC-id_83911672	231.699	PRVWQSMZXUOCQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021830
[Te]=C1C=Cc2c1occ2	PC-id_101715008	231.706	PZWFNPVWJMWJTJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021831
CC(CNC1CCc2c1cc(s2)Cl)O	EMOLS-id_107721401,PC-id_81252784	231.742	PHDWWQFRYNQKNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021832
C[C@H](CNC1CCc2c1cc(s2)Cl)O	EMOLS-id_266536981,PC-id_103906929	231.742	PHDWWQFRYNQKNS-XPJFZRNWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021833
C[C@@H](CNC1CCc2c1cc(s2)Cl)O	PC-id_103906593,EMOLS-id_266536911	231.742	PHDWWQFRYNQKNS-UUEFVBAFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021834
C[C@@H](NC1CCc2c1cc(s2)Cl)CO	PC-id_114985707	231.742	GKEDQKNKGOMIHO-XPJFZRNWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021835
CC(NC1CCc2c1cc(s2)Cl)CO	PC-id_81252892,EMOLS-id_107555892	231.742	GKEDQKNKGOMIHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021836
CC(ONC1CCc2c1cc(s2)Cl)C	EMOLS-id_266538011	231.742	VBIMEJOJYOGQFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021837
Clc1c2CCCc2sc1C(N)CCO	PC-id_84795148	231.742	GELLUVUDPOLNEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021838
Clc1c2CCCc2sc1C(O)CCN	PC-id_84795149	231.742	MEPPDKMPXDUOBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021839
Clc1c2CCCc2sc1C(O)CNC	PC-id_84795143	231.742	MTHYTMBMZPYMIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021840
Clc1c2CCCc2sc1C(O)C(N)C	PC-id_84795150	231.742	YCSTUXIWZCPWDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021841
Clc1sc2c(c1N)C(OC2(C)C)(C)C	EMOLS-id_266537809,PC-id_114749398	231.742	PJKRWMFQSOVXEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021842
Clc1sc2c(C(NCCCO)CC2)c1	PC-id_81252779,EMOLS-id_313687883	231.742	FSFKKNAHGQUERL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021843
Clc1sc2c(C(NCCOC)CC2)c1	EMOLS-id_313583980,PC-id_81252260	231.742	SEQXSAAABRIXSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021844
ClCc1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79927435,EMOLS-id_107654197	231.742	QIOFBUMXRJXBGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021845
Clc1n(nc2c1CSC2)CCN(C)C	EMOLS-id_107815917,PC-id_83191979	231.746	AKDPPDDUJHNYIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021846
B1(c2c(cco2)C(O1)P(=O)(OC)OC)O	PC-id_134851311	231.935	OIXFYZUNOOTEKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021847
C1C=Cc2c1[nH]nc2I	PC-id_164010686	231.95	UQXOVKKUKZIZET-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021848
BrC1(Oc2c([nH]cc2)C1)C(=O)O	SCHEMBL7675844,PC-id_70159956	232.031	RJMRLVURBXFQIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021850
OC(=O)c1cc(c2n1CCO2)Br	PC-id_96599314	232.031	KFKSUVNAIRJQNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021851
C1Cc2nc(c(n2C1)Br)[N+](=O)[O-]	PC-id_137331608	232.035	MQEDBGRPLVVFFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021852
C1Cn2c(c(c(n2)Br)C(=O)O)N1	PC-id_136315571	232.035	POPSDCFDKBVOHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021853
C1Cn2c(c(c(n2)C(=O)O)Br)N1	PC-id_137218175	232.035	UBLAPCRTUSVACX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021854
OC(=O)c1nc2NCCn2c1Br	MCULE-2539620861,EMOLS-id_207621122	232.035	RAXNFWWDKXXNSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021855
Brc1sc2c(C(=O)NC2=O)c1	PC-id_83681707	232.055	YFIMFFHLHXEKNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021856
C1C=NC2=NC(=C(N21)C(=O)N)CC(F)(F)F	PC-id_151481897	232.057	PMQNZRDAPMXASG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021857
Brc1oc2C(CC(O)c2c1)CN	PC-id_84049328	232.075	UTLPMLFJKGSPTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021858
Brc1oc2c(C(N)(CC2)CO)c1	PC-id_83911685	232.075	NQPHRSXCDQVNKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021859
Brc1oc2c(C(O)(CC2)CN)c1	PC-id_83911683	232.075	QRPIRYABVOILJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021860
Brc1oc2C(N)(CCc2c1)CO	PC-id_83911684	232.075	LEQGWCUSPKKDJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021861
Brc1oc2C(O)(CCc2c1)CN	PC-id_83911682	232.075	ZXZHQDCRZKFLPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021862
BrCc1noc2c1COC2(C)C	EMOLS-id_96827897	232.075	XJAPHYPZNBMGBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021863
Brc1c2OCCn2nc1CCN	PC-id_84043363	232.078	FVNHICDTWXXZKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021864
Brc1n[nH]c2c1C(N)(CC2)CO	PC-id_83911691	232.078	MHNXDZPXIXGNCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021865
Brc1n[nH]c2c1C(O)(CC2)CN	PC-id_83911690	232.078	LHWHIYRHNOSWOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021866
CC1(C(CC2=CC=C(N21)C(=O)N)C(F)F)F	PC-id_151162486	232.082	NAODKDMPKHLXBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021867
C1C2=CN(N=C2CN1P)CC3=CN=CC=C3	PC-id_164849003	232.088	QGGMCYNCUNRINS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021868
Brc1c2c(sc1)C(N)CC2=O	PC-id_391056	232.098	WDFKHRDUBJGGKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021869
Brc1cc2c(s1)C(=O)CN2C	PC-id_98009494	232.098	DWCAMEXDRFBBSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021870
Brc1sc2c(c1)C(=O)C[C@H]2N	CoCoCo_5756447	232.098	GOYDQIBFMLNYHO-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021871
Brc1sc2c(c1)C(=O)C[C@@H]2N	CoCoCo_5756448	232.098	GOYDQIBFMLNYHO-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021872
Brc1sc2c(c1)C(=O)CN2C	PC-id_98009492	232.098	MPYZDHYGNFCWGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021873
Brc1sc2c(C(N)CC2=O)c1	PC-id_84049394	232.098	HVBSHOKWRZBUPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021874
Brc1sc2CNCc2c1C=O	EMOLS-id_331063597,MCULE-7002824008	232.098	BWOSJSQWIXCQOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021875
Brc1sc2C(N)CC(=O)c2c1	PC-id_391058	232.098	GOYDQIBFMLNYHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021876
Brc1sc(c2c1CNC2=O)C	PC-id_82619603	232.098	RPHVDLVXRBMVKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021877
Brc1scc2c1C(N)CC2=O	PC-id_391067	232.098	HVJKEOQKTRPPGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021878
CN1CC(=O)c2c1c(Br)sc2	PC-id_96599301	232.098	GGKVPHQINNISDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021879
N[C@@H]1CC(=O)c2c1c(Br)sc2	CoCoCo_5756463	232.098	HVJKEOQKTRPPGR-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021880
N[C@H]1CC(=O)c2c1c(Br)sc2	CoCoCo_5756464	232.098	HVJKEOQKTRPPGR-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021881
N[C@@H]1CC(=O)c2c1scc2Br	CoCoCo_5756445	232.098	WDFKHRDUBJGGKY-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021882
N[C@H]1CC(=O)c2c1scc2Br	CoCoCo_5756446	232.098	WDFKHRDUBJGGKY-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021883
O=Cc1sc(c2c1CCN2)Br	PC-id_98009493	232.098	GHNNYJSKMSCPHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021884
O=Cc1sc(c2c1CNC2)Br	PC-id_96599300	232.098	WFUFZJNGPOFJDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021885
Cl/C(=C/CNC1CCn2c1ncc2)/Cl	MCULE-5851715865	232.11	PORLKBZFTRVKSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021886
Brc1sc2C(CCc2c1)CN	PC-id_83911699	232.141	BCUSPUDUJSJEBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021887
Brc1sc2c(C(CC2)CN)c1	PC-id_83911698	232.141	ZXEMQOBJKZVYRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021888
Brc1sc2CCC(NC)c2c1	PC-id_83911701,EMOLS-id_96086869	232.141	YBANOVQYCMZKMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021889
Brc1sc2c(C(N(C2)C)C)c1	PC-id_59074259	232.141	HTKKWMRAJQAFPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021890
Brc1sc2C(NC)CCc2c1	PC-id_83911700	232.141	AGDVWJJZTGZVST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021891
c12CCCc1sc(CN)c2Br	MCULE-6794240824,EMOLS-id_330868559,PC-id_84795230	232.141	NFCXZGWKGRTILZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021892
c12C(C)(C)CCc1sc(Br)n2	MCULE-5412435650,EMOLS-id_97274316,PC-id_112623630	232.141	ONUWZXYMESWYNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021893
c12CN(Cc1scc2CBr)C	MCULE-7762694548,EMOLS-id_331066406	232.141	TZZKMMVATFJUPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021894
c1(CBr)c2CCCc2sc1N	MCULE-3217919786,EMOLS-id_331063078	232.141	YQOJDTXAUYPDFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021895
c1(CN)c2CCCc2sc1Br	MCULE-8816620685,ZINC22_132835023,PC-id_99633336,EMOLS-id_50386621	232.141	ADSMJBCHSYKWKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021896
CC1CCc2c1c(N)c(s2)Br	PC-id_114749261,EMOLS-id_96203285	232.141	XUZZIQMXOPJOSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021897
CCC1CCc2c1nc(s2)Br	EMOLS-id_97274112,PC-id_116177619	232.141	DKVVIBUHOHGAJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021898
CCC1NCc2c1sc(c2)Br	PC-id_112483806	232.141	KJMRCJUZPROEJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021899
FC1(F)c2cscc2C(C1(F)F)(F)F	SCHEMBL76408,PC-id_59787528	232.146	YYLMOHDRDNHTMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021900
s1c2C(F)(F)C(F)(F)C(F)(F)c2cc1	PC-id_12748593	232.146	IUFJKNGYUCKVLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021901
o1c(ncc1)C=c1c2n(nc1C(=O)O)nnn2	PC-id_71347267	232.156	MPYTVJMGGLRGPN-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-021902
[2H]C1=C(C(=C(C(=C1[2H])[2H])NC2=COC3=C2CC(C3)(C)C)[2H])[2H]	PC-id_164708752	232.162	OHLMSLPOWXPZON-DKFMXDSJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-021903
CNC(=O)c1nc2c(n1C(F)F)CN(C2)O	SCHEMBL17380141,PC-id_118613885	232.187	BZXASPIWIARQBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021904
o1[n+]([O-])c2CN(Cc3cccnc3)C(=O)c2n1	PC-id_18957963,SCHEMBL9308380	232.196	ZINGRGPBJJREEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021905
CC1CCc2c1c(C=O)nn2CC(F)(F)F	EMOLS-id_331002621,MCULE-9247831855	232.202	ZDNTUFCXOZIXDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021906
CC1CCc2nn(CC(F)(F)F)c(C=O)c12	MCULE-7493191925,EMOLS-id_330987709	232.202	RULGNMGFJOAEKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021907
CC(C)n1c2c(CCC2=O)c(n1)C(F)(F)F	SCHEMBL20365090,PC-id_135209932	232.202	HZCGZHJFPIJUEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021908
CC(C)n1c2c(CC(=O)C2)c(n1)C(F)(F)F	SCHEMBL15724390,PC-id_90162767	232.202	UCVDSDLWHUAEEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021909
FC(F)(F)c1nn(c2CCC(=O)c12)C(C)C	SCHEMBL20365095,PC-id_83861259	232.202	PIODFDJPXOYVCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021910
C1Cn2c(c(nn2)C(=O)c2ccc(cc2)F)N1	PC-id_135924053	232.214	OOXVDVCHXSFVOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021911
Fc1cccnc1C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318381907	232.214	XDPZVZCPCISVAG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-021912
OC(=O)Cn1[nH]c2c(c1=O)CS(=O)(=O)C2	PC-id_105490512	232.214	KHQDVUPTGYEMAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021913
S1(=O)(=O)Cc2c(C1)c(oc2CN)[N+](=O)[O-]	PC-id_82619613	232.214	LATWZGIBEREXBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021914
S1(=O)(=O)NC(=O)c2c1sc(c2)C(=O)N	PC-id_16640053	232.237	MQTHITRUZMYWSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021915
S1(=O)(=O)NC(=O)c2sc(cc12)C(=O)N	PC-id_16638714	232.237	XQBRHXZNVHENSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021916
c1(C(=O)Nc2cc(C)on2)cn2c(CCC2)n1	MCULE-1190493433,EMOLS-id_321294559	232.239	CXYOCMSYZVJHBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021917
Cc1cc(NC(=O)c2n[nH]c3CCCc23)no1	MCULE-9861377185,PC-id_110388971,EMOLS-id_98159849	232.239	ITDNSXFMKFDQKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021918
Cc1conc1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318310025	232.239	OMRCEWCUMKCLGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021919
Cc1ncc(o1)CC(=O)N1CCn2c1ccn2	EMOLS-id_257972002,MCULE-3766009707	232.239	OTMBAVDTDKCARO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021920
CCc1nocc1C(=O)N1CCn2c1ncc2	MCULE-1575610974,EMOLS-id_278170099	232.239	UBEHGLLQNMVLHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021921
CCc1onc(c1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_278356479	232.239	DJDFHWJLYWCLHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021922
CCc1onc(c1)C(=O)N1CCn2c1ncc2	MCULE-7746317187,EMOLS-id_316482712	232.239	VDKZFTFHRPELJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021923
CNc1n[nH]c2c1CN(C2)C(=O)c1ccco1	PC-id_70643758,SCHEMBL12057908	232.239	HOADAENJHATSMK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021924
N#CC1(CCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99806519	232.239	VMMQPABPPWMHCK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-021925
N#CCN(C(=O)c1nn2c(c1)OCC2)C1CC1	EMOLS-id_99657610	232.239	BFCUGEUQBFZRSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021926
o1c(C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52024802	232.239	DSMGHISMOYIOLZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021927
o1nc2CCCc2c1NC(=O)c1nn(cc1)C	PC-id_45284745	232.239	YLNLLQBBMLKHPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021928
O=C(c1cnc2n1CCC2)Nc1conc1C	EMOLS-id_320140543,MCULE-8868746711	232.239	PFKDSVLLXFVOOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021929
O=C(c1cnco1)NCc1cnc2n1CCC2	EMOLS-id_318772320	232.239	YYLHCKSDKPRPJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021930
O=C(c1cnco1)NCc1n[nH]c2c1CCC2	EMOLS-id_319507133	232.239	XOFIPNXMBKSUAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021931
O=C(c1cocn1)NCc1cnc2n1CCC2	EMOLS-id_318819939	232.239	GWBGVAPMBCCQTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021932
O=C(c1conc1C)NC1CCn2c1ncc2	MCULE-5281657613,EMOLS-id_320258195	232.239	CFSRKCVUHUPKIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021933
O=C(c1n[nH]c2c1CCC2)Nc1conc1C	EMOLS-id_319665309	232.239	UZAIBTHVMREKMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021934
O=C(c1nocc1)NCc1cnc2n1CCC2	EMOLS-id_319427501	232.239	KTPPPDBMSLZQKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021935
O=C(c1occ2c1CCC2)Nc1[nH]nnc1C	MCULE-5747500624,EMOLS-id_319993036	232.239	BZJVBBFPMGPPAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021936
O=C(Nc1n(nc2c1CCC2)C)c1oncc1	PC-id_45536369	232.239	YWQWPXRSMBHARV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021937
Cc1[nH]nc(n1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110617829	232.242	MFVAIPSLYKUSAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021938
O=C(c1cn2c(n1)CCC2)Nc1[nH]nnc1C	EMOLS-id_319480062	232.242	VSVZUEAYBZFVAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021939
O=C(c1cnc2n1CCC2)Nc1[nH]nnc1C	EMOLS-id_319147209	232.242	LRLBXWSXGHZMJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021940
O=C(c1n[nH]c2c1CCC2)Nc1ncnn1C	EMOLS-id_111467834	232.242	XIHLGSROJQRBEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021941
O=C(NCc1nc[nH]n1)c1n[nH]c2c1CCC2	EMOLS-id_324032002,MCULE-5745477241,ZINC22_620525359,PC-id_146086697	232.242	LFSVPXNNQAVMEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021942
CC1Cc2c(C1)c(nn2C(C)C)C(F)(F)F	PC-id_90162111,SCHEMBL15723697	232.245	UWNCDNUWUHHAAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021943
CC1CCc2c1n(nc2C(F)(F)F)C(C)C	SCHEMBL15723784,PC-id_90162191	232.245	CEOGWJGCFYHMMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021944
CC(C)n1c2c(CC(C2)(C)F)c(n1)C(F)F	PC-id_90162118,SCHEMBL15723704	232.245	LNCHLXUQDJIESA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021945
OC(=O)CC(F)(F)c1cc2CCCc2s1	MCULE-1979754788,EMOLS-id_313984833	232.247	ILWGJCQYWAAVIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021946
OC(=O)C(F)(F)Cc1cc2CCCc2s1	EMOLS-id_314010838,MCULE-8240212220	232.247	YISKHCNAEFHGBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021947
Fc1cccc(c1)Cn1nc2c(c1O)CCC2	EMOLS-id_314406139	232.254	PSZGYGYCXOTTSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021948
Fc1ccc(cc1)Cn1nc2c(c1O)CCC2	EMOLS-id_314409206	232.254	BIRFWFKOFDRTIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021949
Fc1ccc(Cn2[nH]c3c(CCC3)c2=O)cc1	PC-id_66023369	232.254	ZMVMOTCUPSQGBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021950
Fc1cc(Cn2[nH]c3c(CCC3)c2=O)ccc1	PC-id_66021109	232.254	ZDVWJMZZLKSROL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-021951
C1C(C(=O)c2c1scc2)C(=O)c1cocc1	SCHEMBL15312083,PC-id_86699209	232.255	KMLKIAUIQPRSKQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-021952
CCCCn1c(C)nc2c1OS(=O)(=O)O2	PC-id_141130199	232.257	WBCXWILASWQMEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021953
OCCCn1[nH]c2c(c1=O)CS(=O)(=O)C2	PC-id_105490832	232.257	FDNHQGOZNKWXLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021954
CN/C=CC1=C(C=C)Cc2c1cc([nH]2)PC	SCHEMBL18456919	232.261	OFFKZVBIOXOVJG-WAYWQWQTSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021955
Cc1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324843746	232.262	ZVXUDAXIZPKQQR-YVMONPNESA-N	00000000110000000001000010000000000000000000000000000000	25-01-021956
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)C	MCULE-6182266147	232.262	ZVXUDAXIZPKQQR-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-021957
CC(C)n1nc2CCCc2c1S(=O)(=O)F	MCULE-1091324079,EMOLS-id_208137141	232.275	BRWHQPXFQYWDQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021958
OC(=O)C1(C)Cc2c(S1(=O)=O)scc2	SCHEMBL9459061,PC-id_19759891	232.277	UFFMSUGKXSQYFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021959
S1(=O)(=O)Cc2c(sc(c2)C(=O)OC)C1	PC-id_14566364	232.277	JNXTWFGSODZPML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021960
O=C(c1c(C)[nH]c2c1CCC2=O)N1CCCC1	PC-id_143004584	232.278	SPVFDEWIZHEHIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021961
c1c2c(cs1)S(=O)(=O)NC2=NCCO	PC-id_136146324	232.28	KZHLINGXUMFQIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021962
NCCN1C(=O)c2sccc2S1(=O)=O	MCULE-1699984902,PC-id_121199684,EMOLS-id_70090601	232.28	GQGNUWDTHPPMGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021963
C1CC1CNC(=O)NN=C1CCn2c1ccc2	MCULE-1599931953,EMOLS-id_300797999,PC-id_86769243	232.282	TXNQFTXHIHJVGH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-021964
c1(C(=O)N/N=C/CCCC2)c2CCCc2[nH]n1	PC-id_820020,BAS-00389967,ChEMBL-DNDi_CHEMBL1319564,CoCoCo_57344,MCULE-9536689048,CoCoCo_57343,TIMTEC344694,CHEMBL1319564	232.282	NWFDQDLNMQULTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021965
c1(C(=O)NN=C(C)C2CC2)c2CCCc2[nH]n1	MCULE-9096944129,PC-id_714357	232.282	XIKXDGUKIFLLIN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021966
C=C=CCNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319156807	232.282	UISBKQORODRAAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021967
CCC(C(=O)NCc1cnc2n1CCC2)C#N	EMOLS-id_317975903	232.282	NHTDIPIHQWXEKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021968
CCC(C(=O)NCc1n[nH]c2c1CCC2)C#N	MCULE-5835458567,EMOLS-id_319940223	232.282	ZJQKYLZEQQFXDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021969
C/C=C(/n1nc2c(c1NC(=O)N)CCC2)C=C	PC-id_144477355	232.282	SCRWHDFPFFUVLQ-XBXARRHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021970
C/C(=N/NC(=O)c1[nH]nc2c1CCC2)/C1CC1	CoCoCo_99130,PC-id_5758284,CoCoCo_99128	232.282	XIKXDGUKIFLLIN-QPEQYQDCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021971
C/C(=NNC(=O)c1n[nH]c2c1CCC2)/C1CC1	BAS-00588980,PC-id_5396709,CoCoCo_99129,EMOLS-id_25797295,CoCoCo_99127	232.282	XIKXDGUKIFLLIN-NTUHNPAUSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021972
N#CC(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_317940577	232.282	DHVPJVHCXFGCSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021973
N#CC(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_319437656	232.282	CNBAMAMAKZPWSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021974
o1cc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_55179717	232.282	PWYRIICPUNHDBU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021975
o1c(CNC(c2n3CCCc3nn2)C)ccc1	PC-id_43748083	232.282	MEDAEYNPTJIPBH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-021976
O=C(C1NCc2c1c[nH]n2)NCC1CC=CC1	EMOLS-id_319711998	232.282	NIBDIVKNWJIESO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-021977
O=C(NNC(=C)C1CC1)c1n[nH]c2c1CCC2	PC-id_4068762	232.282	WEWCPFDOLCNRDH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-021978
CC1CC(c2n1ncn2)NCCn1cccn1	EMOLS-id_319098231	232.285	YAQUAJJRAJSTJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021979
C#CCNC(=NC)NCc1nnc2n1CCC2	PC-id_119117074	232.285	JRGAHVXZJYWSHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021980
CCn1cnnc1NCc1cnn2c1CCC2	EMOLS-id_279076695	232.285	OFTDAHKSEJWGAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021981
CCn1cnnc1NCc1nn2c(c1)CCC2	EMOLS-id_319091119	232.285	RCFSXKFIXXYBRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021982
n12CCCc1nnc2C(NCc1[nH]ccn1)C	PC-id_54976522	232.285	FNEAHMILEDTEET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021983
n12CCCc1nnc2C(NCc1[nH]cnc1)C	PC-id_62761944	232.285	OFNGCEPHBPRSPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021984
n12CCCc1nnc2C(NCc1[nH]ncc1)C	PC-id_43748187	232.285	XQXNZSXJWKOYJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021985
CC(C)n1c2c(CSC2)c(n1)C(C)(F)F	SCHEMBL15723672,PC-id_90162086	232.293	KHZIAKYGQKPSJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021986
Cc1ccc(o1)C(=O)c1sc2c(c1)CCC2	PC-id_61713542,EMOLS-id_38529490	232.298	FJLUQPFTEITKMY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-021987
O=C(c1sc2c(c1)CCC2)Cc1ccco1	PC-id_115795706	232.298	YJAOEEOIGFWAMY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-021988
O=C(c1sc2c(c1)CCC2)Cc1ccoc1	PC-id_115795907	232.298	USHDZADOULDPDV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-021989
c1(NC(=O)C2CC2)sc2c(CCC2)c1C#N	PC-id_831858,EMOLS-id_3965655,CoCoCo_4970367,ZINC22_355788,TIMTEC55748,MCULE-2979787610	232.301	AOQUBVWQHBJHQC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-021990
CCCCCp1cc2c(c1)CC(=C2)CC=C	SCHEMBL7676494	232.301	CYNQZGAZEJDVKB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021991
CCCCCp1ccc2c1C=C(C2)CC=C	SCHEMBL7673713	232.301	YTHAMCOMWZQCLL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021992
CCCCCp1ccc2c1CC(=C2)CC=C	SCHEMBL7676092	232.301	BCOZUQVRBOQKIH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-021993
C/C=C/C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327764667	232.301	CEPGJRAQXITSGX-DUXPYHPUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021994
CC(=C)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327885704,MCULE-8355608889	232.301	MIHMPQXYISYNKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-021995
Cn1ccc(n1)C(=O)c1sc2c(c1)CCC2	PC-id_103133748	232.301	AOCSZNSKPCNNEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021996
Cn1ccnc1C(=O)c1sc2c(c1)CCC2	PC-id_60660080,EMOLS-id_37244306	232.301	IHOMYWZKSIPVGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021997
Cn1nccc1C(=O)c1sc2c(c1)CCC2	PC-id_114972647	232.301	FAPQKRQYJBVUAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-021998
COc1cc[nH]c1/C=C/1CNc2c1ccs2	SCHEMBL7097133	232.301	LCBPYPXVBAJFON-SOFGYWHQSA-N	00000010110000000000000010000000000000000000000000000000	25-01-021999
COc1cc[nH]c1C=C1CNc2c1ccs2	SCHEMBL7097134,PC-id_88089857	232.301	LCBPYPXVBAJFON-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-022000
C(=O)(Nc1sc2CCCc2c1C#N)C=CC	MCULE-3948955353,EMOLS-id_315389910,PC-id_78906741	232.301	CEPGJRAQXITSGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022001
Oc1n(Cc2ccccc2)nc2c1CSC2	EMOLS-id_107814545	232.301	WADNOUOIBYYYOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022002
OC(c1sc2c(c1)CCC2)c1cncnc1	PC-id_115781526	232.301	MHXDAODCGSXVMM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022003
OC(c1sc2c(c1)CCC2)c1nccnc1	PC-id_115800070	232.301	KWRYOPLANIUBDR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022004
O=C(c1sc2c(c1)CCC2)Cc1[nH]ccn1	PC-id_43463675,EMOLS-id_37654811	232.301	MWLWLRCIZADXIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022005
s1c2CCCc2cc1C(=O)c1cn(nc1)C	PC-id_43463310	232.301	JTKADDFDAGMCCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022006
s1c2CCNc2nc1COc1ccccc1	PC-id_82082476	232.301	IGACTVHWRFWOAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022007
S1Cc2c([nH]n(c2=O)Cc2ccccc2)C1	PC-id_83196777	232.301	MNBQFMKYQWTSSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022008
c1cc(SCc2nnc3n2CCC3)ccn1	ZINC22_1565520209,MCULE-2521500796	232.305	JHKHHBQYSZLZSA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-022009
Cc1cc2NC(Nc3ccccc3)Sn2n1	BindingDB-id_62586,CHEMBL1499314,EMOLS-id_2583374,SPECS-id_AT-057/J150662,MCULE-7061727541,TIMTEC177531,ChEMBL-DNDi_CHEMBL1499314,STOCK3S-70553	232.305	GRUDNJWCIFKAFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022010
Cc1cc2n(n1)S[C@H](Nc1ccccc1)N2	ZINC22_13132461,CoCoCo_5885610	232.305	GRUDNJWCIFKAFB-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022011
Cc1cc2n(n1)S[C@@H](Nc1ccccc1)N2	ZINC22_13132462,CoCoCo_5885611	232.305	GRUDNJWCIFKAFB-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-022012
Cc1ccc(cc1)N=c1n2CCNc2ns1	PC-id_135873201	232.305	JQKWSJHIHUGWMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022013
Nc1ccc(nc1)Nc1sc2c(n1)CCC2	PC-id_108175769	232.305	AJBSHOBIZZCVJC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-022014
Nc1cccnc1Nc1sc2c(n1)CCC2	PC-id_108194993	232.305	JFISULNLDMKYKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-022015
Nc1ccnc(c1)Nc1sc2c(n1)CCC2	PC-id_108204482	232.305	GHBYYYIVVIZQOJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-022016
Nc1cnccc1Nc1sc2c(n1)CCC2	PC-id_108194994	232.305	RLIKKYCWLQBQDO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-022017
Nc1nccc(c1)Nc1sc2c(n1)CCC2	PC-id_104039201	232.305	SDUZQAJCXJJGNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-022018
s1c2CCCc2nc1Nc1nc(N)ccc1	PC-id_80653048	232.305	FFVOFXCIDFDBOJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-022019
C=CCCCc1oc(c2c1CCC2)CC(=O)C	PC-id_101516305	232.318	HEJNJTPAAUJKPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022020
CCCC1C(O)c2c(S1(=O)=O)scc2	PC-id_21735815,SCHEMBL9652938	232.32	OEYMKADZYUNYGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022021
CC(C1CCC1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330985653,MCULE-1467751376	232.321	VHOMZPXDJSJTLM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022022
CC(n1nc2CCC(C)c2c1C=O)C1(C)CC1	EMOLS-id_330989235,MCULE-7954647672	232.321	VVWGLDKTHKPBCJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022023
n1(CC2CCCCC2)nc2c(CCC2)c1C=O	MCULE-5527415396,EMOLS-id_324388957	232.321	SVEYBBSNLJNGQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022024
CC(c1nc2c(s1)N(S(=O)(=O)C2)C)C	SCHEMBL15866357,PC-id_90274190	232.323	ANTGQODSCINLSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022025
CCc1sc2c(n1)CN(C2)S(=O)(=O)C	SCHEMBL12344047,PC-id_68251390	232.323	IWKFXCJWLAUDPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022026
CCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_64585745,EMOLS-id_40633083	232.323	XVZHQDYCSISVDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022027
CS(=O)(=O)NCc1nc2CCCc2s1	MCULE-8699812275,EMOLS-id_195327571	232.323	ZVOPRCMYJQXPIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022028
NS(=O)(=O)NCc1sc2c(c1)CCC2	EMOLS-id_50769382,PC-id_112687456	232.323	YDVAFHXHWUREAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022029
c1(C#N)c2C(C)CCc2n(CCCN(C)C)n1	MCULE-5715224071,EMOLS-id_331024384	232.325	GMGDFPGCIIUHLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022030
c1(C#N)n(CCCN(C)C)nc2CCC(C)c12	MCULE-8837917908,EMOLS-id_331006640	232.325	VBOJVTGYTBDTMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022031
c1(C(=O)C2=CCCCC2)cc2c(CCC2)s1	PC-id_62080120,EMOLS-id_38774949,MCULE-3795933744	232.341	FYCGZALVXZWDIQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022032
C=C/C=Cc1c(C)sc2c1C(C)C(C2=O)C	PC-id_142615421	232.341	LWIQDRJDOSXHNB-SREVYHEPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022033
s1sc2c(c1=S)CCC2C(=O)OC	CHEMBL1173199,PC-id_46839186	232.343	CMDYQGNCNCPHGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022034
C1Cc2c(C1)cc(s2)CNCc1[nH]ccc1	PC-id_62340093,EMOLS-id_38958471	232.345	QZWAIEMHYKYEBT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-022035
CCCC(=C(c1sc2c(c1)CCC2)N)C#N	EMOLS-id_315792845,PC-id_104012423	232.345	GSRVSCULNNMKLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022036
[nH]1ccc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_41924972,PC-id_66410066	232.345	QMXHPHXRLDNABA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-022037
CCCC1=C(c2c(occ2C1)CCC)CCC	PC-id_91807458	232.361	ZNIXTQXASNJCBN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022038
CC1CCc2ccc(CN3CCCCCC3)n12	EMOLS-id_38036	232.364	AEYCFTTXISKNPB-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-022039
CC(C1CCCCC1)n1cc2C(C)CCc2n1	MCULE-9137298934,EMOLS-id_330999471	232.364	FOHSYRMIAMCMOG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022040
CCc1nn(c2c1CCC2)CC1CCCCC1	PC-id_144230214	232.364	LIEQVAZXXMNCOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022041
CC(C)C1C=c2c(=C1)nc([nH]2)CC(C)C(C)C	SCHEMBL20707043,PC-id_137466763	232.364	OUQVQELXVFPARM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022042
CC(=CC1=C(C)c2c(C1(C)C)cc(s2)C)C	SCHEMBL12378278,PC-id_68256063	232.384	WTVMJOSWKOASKJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022043
c1(C(=O)OCC)c2COCc2sc1Cl	MCULE-1125527638,EMOLS-id_331065120	232.684	CZYKVURCINJHCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022044
Clc1sc2c(C(O)(CC2)CC(=O)O)c1	PC-id_83911741	232.684	AVJKUPMLDBDEHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022045
Clc1sc2C(O)(CCc2c1)CC(=O)O	PC-id_83911740	232.684	PREZKGQAYJKPMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022046
OC(=O)c1c(Cl)sc2c1C(C)(C)OC2	EMOLS-id_266540929	232.684	QDXYRPACCUAJHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022047
CC(=O)OCc1c(Cl)nc2n1CCS2	NSC332712,LI_187427,CoCoCo_5604883,PC-id_333006	232.687	GJRQQOZZKUKLLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022048
ClCOC(=O)Nc1sc2c(n1)CCC2	MCULE-9689314298	232.687	XZJNNZVWGMTXCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022049
ClCCC(=O)Nc1n2CCSc2nn1	PC-id_44007630	232.691	GFNVCRZENVFOCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022050
ClC(C(=O)Nc1n2CCSc2nn1)C	PC-id_44007632	232.691	QXOZGFJTEUKHEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022051
Clc1ccccc1Cc1n[nH]c2CCCc12	EMOLS-id_337932820	232.709	WBRVCMWFHKOJPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022052
Clc1ccc(Cc2n[nH]c3CCCc23)cc1	EMOLS-id_337932307	232.709	BHDIGGJTXKKVJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022053
Clc1cccc(Cc2n[nH]c3CCCc23)c1	EMOLS-id_337934611	232.709	VNRSYBOKFZRPMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022054
Clc1nc2CCCc2n1Cc1ccccc1	PC-id_30033089,MCULE-5669728740,EMOLS-id_31520384,ZINC22_22126250	232.709	SBKUKZSLIVKERQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022055
Clc1n(nc2c1CCC2)Cc1ccccc1	PC-id_66021974	232.709	RSYLQCGILRYLOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022056
Bc1sc(c2c1N=S=N2)Br	SCHEMBL13862882	232.917	FSEMHEKRIPZBNF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022057
C1[C@@H](c2nc(nn2[C@@H]1[AlH2])Br)F	PC-id_163544686	232.954	FEAKPOJCRGLMJW-LHWPGRLPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022058
C1CC2=C(C1)N(C=C2)I	PC-id_154031813	232.97	KCXMHJNLCURBKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022059
COCC1NN2C(=C(N=C2S1)Cl)C=O	PC-id_153361501	233.003	RFKIELDJJINSQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022060
Brc1c2OCC(n2nc1)C(=O)O	PC-id_84696278	233.019	VYFTWLBFOWMNFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022061
c1(C(=O)O)nn2c(OCC2)c1Br	ZINC22_96510776,EMOLS-id_49184287,MCULE-6167405009,PC-id_84043432	233.019	IEJCNCPXIIBCQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022062
Brc1n2CCOc2nc1C(=O)O	PC-id_84017551	233.02	CSXNPWRISSEJEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022063
Brc1nc2OCCn2c1C(=O)O	PC-id_84017552	233.02	SZOYEUHUVMWHOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022064
O=C(O)c1c(Br)nn2c1OCC2	ZINC22_216745864,EMOLS-id_54824108,PC-id_84696277	233.02	VMCNHYPUJDZMDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022065
C1CC2=NC(=CN2C1)SCS(=O)(=O)N	PC-id_164732169	233.029	IUDPEKRYZLINBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022066
CN1C2=C(CS1(=O)=O)N=C(S2)N(C)C	PC-id_163562748	233.029	FSQMSWBMMNFNPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022067
C1C(C2=C(C1=O)OC=C2)NC(=O)C(F)(F)F	PC-id_153785711	233.03	RCQUEZWQRZQUCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022068
CC1(C(=NO)N2C(=C(N=C2S1)C#N)C#N)C	PC-id_88704035,PC-id_152782379	233.037	MUJXDGQWUPSYRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022069
Brc1cc2c(s1)C(=O)OC2=O	PC-id_140244428	233.039	BKDNHDSDIXOYFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022070
c1c(c2c(s1)C(=O)OC2=O)Br	PC-id_137355471,SCHEMBL20579935	233.039	JTVDIXKTWGLEPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022071
C[N+](C)(C)C1=NC2=C(S1)CS(=O)(=O)C2	PC-id_154550387	233.041	VGCZPFWDICMOQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022072
Brc1c2OCCn2nc1CCO	PC-id_84736356	233.063	KXDJFWDLWHNBGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022073
Brc1cnn2CC(COC)Oc12	EMOLS-id_337136623,MCULE-6475750303	233.063	DHXZEFNGZZHIJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022074
CCCS(=O)(=O)C1=NN2CCC(C2=N1)F	PC-id_154697614	233.063	ZKMIEXNZXHJSEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022075
COC[C@H]1Cn2ncc(Br)c2O1	ZINC22_2088617664	233.063	DHXZEFNGZZHIJW-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022076
COC[C@@H]1Cn2ncc(Br)c2O1	ZINC22_2088617665	233.063	DHXZEFNGZZHIJW-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022077
CC1=NC2=C(N1C)CN(C2)C(=O)C(F)(F)F	PC-id_153277592	233.078	KIDGXMPMZHDKGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022078
c12CCCc1nn(CCF)c2Br	MCULE-2379621988,EMOLS-id_324389722	233.081	ZOIDDBWVDHPDKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022079
CCn1nc(c2c1CCC2F)Br	PC-id_105492105	233.081	PDNQLVATBAHIDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022080
Cn1nc(c2c1CCC2(C)F)Br	PC-id_105492106	233.081	VMZLKDNRUSQIKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022081
Brc1c(C)c2c(s1)C(=O)OC2	PC-id_67516471,SCHEMBL2729955,MCULE-1403066437	233.082	DNMXZJQTHUGWOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022082
Brc1sc2COCc2c1C=O	EMOLS-id_331062319,MCULE-4252177424	233.082	XEWMJYXMQCQNEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022083
Brc1scc2c1C(O)CC2=O	PC-id_397153	233.082	YFSVFEQAOMAVIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022084
O[C@@H]1CC(=O)c2c1c(Br)sc2	CoCoCo_5771149	233.082	YFSVFEQAOMAVIC-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022085
O[C@H]1CC(=O)c2c1c(Br)sc2	NSC704554,CoCoCo_5771148	233.082	YFSVFEQAOMAVIC-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022086
BrC1Cc2nc(sc2C1=O)N	SCHEMBL13125920,PC-id_59549567	233.086	OMWHISNWEROHAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022087
Brc1n2CCSc2nc1C=O	PC-id_83487384	233.086	HOKLXGOQYSQBRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022088
Brc1nc2SCCn2c1C=O	PC-id_329968,NSC315228,CoCoCo_5595422,LI_185190	233.086	BTFHPSABKGSBKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022089
Brc1sc2c(n1)C(NC2=O)C	PC-id_83824078	233.086	LTVXXIGMYLDHFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022090
CCOC(=O)C1=C(C2=C(N1C)C=C(C2)C)C=O	PC-id_165030403	233.105	RHEVZRPMDARCSH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022091
Brc1sc2c(c1)C(CO2)(C)C	PC-id_98009433	233.125	FYSFKGPGTGTPNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022092
c12CCCc1sc(CO)c2Br	MCULE-8454418732,EMOLS-id_330868303,PC-id_84795831	233.125	OCGKHFCPJOXBNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022093
c1(CO)c2CCCc2sc1Br	EMOLS-id_50386623,PC-id_102571109,MCULE-5664526927,ZINC22_225674098	233.125	KQVTZINEDZZIGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022094
c1(CBr)c2CNCc2sc1N	MCULE-2626489469,EMOLS-id_331065900	233.129	MHKCIHMLGMCCPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022095
c1(CN)c2CNCc2sc1Br	MCULE-2717299859,EMOLS-id_331064109	233.129	BAAZHQYNDCZNMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022096
CCn1nc2c(c1Br)CSC2	PC-id_105492122	233.129	SAHBIUVOTKUFLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022097
CCn1nc(c2c1CSC2)Br	PC-id_105492118	233.129	NMVPLBQNILDREC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022098
FC(F)(F)c1[nH]c(c2c1CCC2=O)C(=O)O	PC-id_82619827	233.144	QHEDWSHJYBLXCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022099
[N-]=[N+]=N[C@H]1O[C@H](c2c1occ2)CC(F)(F)F	PC-id_138980688	233.147	XDZKJMAFYCVGLV-FSPLSTOPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022100
FC(F)(F)c1nn(c2c1CCC2)CC(=O)[O-]	PC-id_6943806	233.167	JJVIKYVCIPXTOK-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-022101
CC1Cc2c(C1)c(c([nH]2)C(=O)O)C(F)(F)F	SCHEMBL8153520,PC-id_70289706	233.187	SJMFXPNJMXYDHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022102
CC1CCc2c1c(c([nH]2)C(=O)O)C(F)(F)F	SCHEMBL8153528,PC-id_70289709	233.187	IDLKJYDUBSFBAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022103
CC1CCc2c1[nH]c(c2C(F)(F)F)C(=O)O	SCHEMBL8145101,PC-id_70287418	233.187	FTICNVWTJRNWEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022104
C[C@H]1Cc2c(C1)c(c([nH]2)C(=O)O)C(F)(F)F	PC-id_57659843,SCHEMBL12777419	233.187	SJMFXPNJMXYDHA-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022105
C[C@H]1CCc2c1c(c([nH]2)C(=O)O)C(F)(F)F	PC-id_57659918,SCHEMBL12777420	233.187	IDLKJYDUBSFBAE-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022106
C[C@@H]1CCc2c1[nH]c(c2C(F)(F)F)C(=O)O	SCHEMBL12777424,PC-id_57659898	233.187	FTICNVWTJRNWEI-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022107
FC(F)(F)c1n(c(c2c1CCC2)C(=O)O)C	PC-id_82619834	233.187	IWAVLTZEHQLVBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022108
FC(F)(F)CC1CCc2[nH]c(cc12)C(=O)O	PC-id_59180110,SCHEMBL2074449	233.187	XQGLEKOMEQUTLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022109
n12c(c(c(c1N)C#N)C#N)C(=C(C2=N)C#N)C#N	PC-id_15213374	233.188	AYDQYVGXCBODAX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022110
[Se]1(=O)Cc2c(C1)c(sc2C)C	PC-id_13350100	233.189	BVVFVACCDYMALQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022111
CC(=O)N1Cc2c(C1)n(nc2C(F)(F)F)C	SCHEMBL15730563,PC-id_90167965	233.19	UZHYVHVCMXVEHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022112
O=Cc1n[nH]c2c1CN(C2)CCC(F)(F)F	SCHEMBL18317812	233.19	JCCQQTWYRWQVJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022113
O=C(N1Cc2c(C1)c([nH]n2)C)CC(F)(F)F	SCHEMBL17232655,PC-id_118491639	233.19	YWQJBEPXLCLGBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022114
OCCc1nn(c2c1OS(=O)(=O)O2)C=N	PC-id_139831240	233.202	SQKYNLLTLBJTKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022115
C1C(c2c(O1)nc(s2)S#P)C(=O)O	SCHEMBL15919195,PC-id_90315882	233.205	OVDNYJZDHQMONO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022116
FC(F)(F)Cn1nc2CSCc2c1C#N	MCULE-6689383784,EMOLS-id_324400209	233.214	XUAMQUFCRKQIJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022117
OC(=O)c1cc2C(=O)NS(=O)(=O)c2s1	MCULE-9665943779,EMOLS-id_208098640	233.222	NAKVQWLLLJZEMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022118
OC(=O)c1cc2c(s1)C(=O)NS2(=O)=O	MCULE-6032321899,PC-id_16639992,EMOLS-id_208098637	233.222	KTDCBJUOIPATJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022119
S1(=O)(=O)NC(=O)c2scc(c12)C(=O)O	PC-id_16640044	233.222	BRIRXGGIFYWURL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022120
N#Cc1c2CCCn2c(c1NC(=O)C)C(=O)O	NSC696796,CoCoCo_5763449,PC-id_393869	233.223	CQWZHIIAOZELRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022121
O=C(c1occ2c1CCC2)NCc1nonc1	EMOLS-id_318923244	233.223	XZBQPOIUUGPBBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022122
COc1[nH]nc(c1)C(=O)N1CCn2c1ncc2	EMOLS-id_319651493	233.227	QZNUWDMHGWLORI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022123
O=c1[nH]cc(n1C)C(=O)N1Cc2c(C1)cn[nH]2	MCULE-1769359767,EMOLS-id_316430474	233.227	DPGXEOGNZMJORU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022124
O=C(c1cnc2n1CCC2)NCc1nonc1	EMOLS-id_319990814,MCULE-6094111756	233.227	UXVBYHZVJYYDQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022125
O=C(c1cnn2c1CCC2)NCc1nonc1	EMOLS-id_319608311	233.227	GYXGAEBPRKGRRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022126
O=C(N1CCn2c1ncc2)c1[nH]nc(c1O)C	EMOLS-id_319076208	233.227	IVCHJWLXOAITNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022127
O=C(N1CCn2c1ncc2)Cc1nonc1C	EMOLS-id_316583630,MCULE-1891657172	233.227	YCTSEFLKJGCJHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022128
O=C(N1CCn2c1ncc2)Nc1conc1C	EMOLS-id_319557804	233.227	FPQFOKXQSHBPAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022129
O=C(N1CCn2c1ncc2)Nc1noc(c1)C	EMOLS-id_319376448	233.227	HNUKCMQAUMMJOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022130
O=C(N1CCn2c1ncc2)NCc1nocc1	EMOLS-id_319077183	233.227	GVIVYAUDBCPXBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022131
c1(C(F)(F)F)oc2c(CCC2)c1CNCC	PC-id_83610547,MCULE-9436231736	233.23	BIFFMBVKVBBITF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022132
C1Cn2c(c(c(=O)n2C1)N=Nc1ncc[nH]1)N	PC-id_136155069,SCHEMBL3400146	233.23	WZNJZVPUKYYTFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022133
Cn1nnc(n1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_316697851	233.23	OLUKPVNZIFMGHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022134
Cn1nnc(n1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319758222	233.23	YIHKLRGHECXKBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022135
Nc1n2CCCn2c(=O)c1/N=N/c1[nH]ccn1	SCHEMBL3400142	233.23	WZNJZVPUKYYTFA-BUHFOSPRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022136
O=c1n2n(CCC2)c(N)c1N/N=C/1N=CC=N1	PC-id_59546627	233.23	KZWLWSBXBCXJQI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022137
O=C(N1CCn2c1ncc2)Nc1cnnn1C	EMOLS-id_316728531	233.23	TUQSDKGSMVXYIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022138
O=C(Nc1cnn[nH]1)N[C@H]1CCn2ccnc12	ZINC22_1875332518	233.23	WAZCILNGDXAPKQ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-022139
O=C(Nc1cnn[nH]1)N[C@@H]1CCn2ccnc12	ZINC22_1875332519	233.23	WAZCILNGDXAPKQ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022140
c12nn(CCCN)c(C(F)(F)F)c1CCC2	TIMTEC483219,PC-id_19616881,ZINC22_12394773,MCULE-8932081710,CoCoCo_6654114,EMOLS-id_8873408	233.233	UOPVKBJKKSRTPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022141
C1CCc2c(C(F)(F)F)nn(CCCN)c12	PC-id_19614695,EMOLS-id_859373,CoCoCo_6650732,MCULE-5798593137,TIMTEC89201,ZINC22_12351631	233.233	BXAYVYJFTNNLAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022142
CC1CCc2c1c(CN)nn2CC(F)(F)F	MCULE-7514836735,EMOLS-id_331016953	233.233	UDPBKHZIUVGWBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022143
CC1CCc2nn(CC(F)(F)F)c(CN)c12	EMOLS-id_330999993,MCULE-5615261144	233.233	QNHWCCDJRGFWLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022144
CC(c1n[nH]c2c1CN(C2)CC(F)(F)F)C	PC-id_118489287,SCHEMBL17229764	233.233	HJURTRPMEWRQMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022145
CC(C)n1c(c2CN(Cc2n1)C)C(F)(F)F	PC-id_90162095,SCHEMBL15723681	233.233	MEYQSCHZODFEHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022146
CC(N1Cc2c(C1)cnn2CC(F)(F)F)C	SCHEMBL13256449,PC-id_57931331	233.233	HWQIGECNIQMCAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022147
CC(N1Cc2c(C1)nc(n2C)C(F)(F)F)C	PC-id_57931370,SCHEMBL13256455	233.233	IAXVHDWJJUQNEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022148
CC(N1Cc2c(C1)nc([nH]2)C(F)(F)F)(C)C	SCHEMBL13562726,PC-id_70937962	233.233	SCXLVDOONSBQTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022149
CC(n1nc2CCC(C)c2c1N)C(F)(F)F	MCULE-9609825083,EMOLS-id_331013539	233.233	MZWRTZCTUCACQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022150
CC(n1nc(N)c2C(C)CCc12)C(F)(F)F	EMOLS-id_330964470,MCULE-9234112716	233.233	VYYLZXYMFRTQEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022151
CN1Cc2c(C1)c(nn2C(C)C)C(F)(F)F	PC-id_71204665,SCHEMBL14555912	233.233	DWKUGECIOAPCTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022152
CNCc1nn(CC(F)(F)F)c2CCCc12	MCULE-9031508897,EMOLS-id_324388437	233.233	OPFAEEZGMKTUCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022153
FC(F)(F)c1nn(c2c1C(CC2)CCN)C	PC-id_83861575	233.233	FGGCTNJFEZWJCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022154
FC(F)(F)c1nn(c2c1C(CC2)CNC)C	PC-id_83861576	233.233	YEIGYZHKGCPXNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022155
FC(F)(F)c1nn(c2c1C(N)CC2)C(C)C	PC-id_83861432	233.233	RTYYKSLWPVZIDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022156
n1(CC(F)(F)F)c(CCN)c2c(CCC2)n1	MCULE-2821431861,EMOLS-id_317868285	233.233	KMGLBQGNCLLHKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022157
NCCC1CCc2n1cnc2CC(F)(F)F	PC-id_112483485	233.233	NTYZYPJJFXKRNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022158
OC(=O)CCc1nc2c(s1)C(CC2)(F)F	PC-id_105492322	233.235	KLDBFKOXFARNDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022159
C=C/C=C(/C1CC(c2n1nc(n2)C=O)F)C=C	PC-id_142514958	233.242	BQPYPOBDANIRGR-VMPITWQZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022160
Fc1ccccc1OCc1nnc2CCCn12	MCULE-6241161174,EMOLS-id_324803084	233.242	WOCAYJWOIQXHDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022161
Fc1ccc(OCc2nnc3CCCn23)cc1	EMOLS-id_324802828,MCULE-2494413706	233.242	AVGUEKKUMNOHPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022162
Oc1on[n+]2c1C[C@H](C2)OCc1ccccc1	SCHEMBL19432302	233.243	HXULPRKQQILFHA-SNVBAGLBSA-O	00000010100000110001000010000000000000000000000000000000	25-01-022163
COc1nc2c(n1S(=O)(=O)C)CN(C2)O	PC-id_118613837,SCHEMBL17380093	233.245	CBKUAXMTCXHXGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022164
Cc1ccc(/C=c/2sc3ncnn3c2=O)o1	EMOLS-id_9063300	233.246	GNZMZPFRJYPRCB-YWEYNIOJSA-N	00000000101000000001000010000000000000000000000000000000	25-01-022165
Cc1ccc(/C=c/sc3ncnn3c2=O)o1	ZINC22_208362,EMOLS-id_45963479	233.246	GNZMZPFRJYPRCB-XBXARRHUSA-N	00000000101000000001000010000000000000000000000000000000	25-01-022166
Cc1nn2c(=O)/c(=Cc3ccco3)/sc2n1	PC-id_137320075	233.246	FHFHEBKTVGNBPN-VMPITWQZSA-N	00000000101000000001000010000000000000000000000000000000	25-01-022167
Cc1nnc2s/c(=Cc3ccco3)/c(=O)n12	ZINC22_9187950	233.246	ATVWLGRNPZRXKN-YVMONPNESA-N	00000000101000000001000010000000000000000000000000000000	25-01-022168
n12ncnc1sc(=Cc1ccc(C)o1)c2=O	MCULE-8487082271	233.246	GNZMZPFRJYPRCB-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-022169
O=C1c2nc[nH]c2C(=O)N1Cc1cccs1	PC-id_44564741,CHEMBL511696	233.246	HUSQGLROKKJOPK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-022170
S1C(C(=O)n2c1nnc2)C=Cc1occc1	PC-id_18891890	233.246	NVXLKTPWFOGDNH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022171
O/N=C
/n2c(SC1(C)C)nc(c2C#N)C#N	SCHEMBL10995370	233.25	MUJXDGQWUPSYRL-NTUHNPAUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022172
S1C(C(n2c1nc(c2C#N)C#N)N=O)(C)C	PC-id_53928215	233.25	IPHJWHQNRIGKLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022173
c1(c(C(=O)OC)c2CC(C(=O)c2[nH]1)C(=C)C)C	PC-id_11817148,CT-id_4020382	233.263	FSCIQVNDYUYAFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022174
CC=C(C)C(=O)OC1CCn2c1c(cc2)C=O	PC-id_91748010	233.263	LJHFLAIWOBXLFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022175
C/C=C(C)/C(=O)O[C@H]1CCn2ccc(C=O)c12	LI_44901,CoCoCo_5452090,NSC124688	233.263	LJHFLAIWOBXLFA-BWLWAFFFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022176
C/C=C(C(=O)O[C@H]1CCn2c1c(C=O)cc2)/C	CoCoCo_5452087	233.263	LJHFLAIWOBXLFA-QSADENFPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022177
C/C=C(C(=O)O[C@@H]1CCn2c1c(C=O)cc2)/C	CoCoCo_5452088	233.263	LJHFLAIWOBXLFA-IMAIQDNJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022178
C/C=C(/C(=O)O[C@@H]1CCn2c1c(C=O)cc2)C	CoCoCo_5452089	233.263	LJHFLAIWOBXLFA-DKSFEKEHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022179
COC(=O)c1c(CC)n2c(c1C)C(=CC2=O)C	PC-id_102154789	233.263	XQJCALBLVVVYRN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022180
COC(=O)c1c(C)n2c(c1CC)C(=CC2=O)C	PC-id_102154788	233.263	NMIGFFJNRPBEMZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022181
COC(=O)c1c(C)[nH]c2c1C[C@@H](C2=O)C(=C)C	4020382_OpenMolecule	233.263	FSCIQVNDYUYAFX-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022182
O(C1CCn2c1c(cc2)C=O)C(=O)/C(=C/C)/C	PC-id_5817139	233.263	LJHFLAIWOBXLFA-YCRREMRBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022183
O=C(c1ccc2n1CCC2C(=O)O)C1CCC1	PC-id_13487071,CHEMBL9142	233.263	JSRFJIGJFAOMEW-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-022184
S1(=O)(=O)Cc2c(C1)c(sc2C(=O)O)N	PC-id_84017577	233.265	NPIFBRGGWLEMMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022185
c1(C(=O)OC)c2C(C)CCc2n(CCC#N)n1	EMOLS-id_330996465,MCULE-5735404445	233.266	MARACMRLGZZETO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022186
c1(C(=O)OC)c2C(C)CCc2nn1CCC#N	EMOLS-id_330979506,MCULE-1557730175	233.266	RHCISXFFCGFVFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022187
CC1=CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102572866	233.266	YHDIZNDKBYQKPG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-022188
CC1=CCN(CC1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102557456	233.266	ZKLJZZDDZNLCDT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-022189
CC=N/C=CCc1n2CCCn2c(=O)c1C=O	PC-id_143321031	233.266	IWOHUHVJEWXIIU-RLAOGGBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022190
CCOC(=O)Cn1nc2CCC(C)c2c1C#N	MCULE-5945419023,EMOLS-id_331005887	233.266	KTOKJPCVQLMNJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022191
CCOC(=O)Cn1nc(c2c1CC(C2)C)C#N	PC-id_144505023	233.266	RAKGVLYOZZMZLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022192
CCOC(=O)Cn1nc(C#N)c2C(C)CCc12	MCULE-6896177602,EMOLS-id_331023616	233.266	SVWHOVGJHOJLSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022193
O=C1CC(Cc2n[nH]c3c2CCC3)CC(=O)N1	LI_133728,CoCoCo_5433384,CoCoCo_5433385,PC-id_270051,ZINC22_4878446,NSC112144	233.266	ZQXXDXRLLJCWQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022194
O=C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98573134	233.266	BIBBYQYSMVDJCD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022195
O=C(c1cc2c([nH]1)C(=O)CC2)N1CCNCC1	SCHEMBL10264407,PC-id_68081910	233.266	VGSMUROMDHITTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022196
O=C(c1cc2n(n1)CCO2)N1CCC(=C)CC1	EMOLS-id_102511154	233.266	STEIOBZPACXVRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022197
O=C(c1nn2c(c1)OCC2)NC1CC2C(C1)C2	EMOLS-id_102245661	233.266	LGYDPGQNGGDCCL-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-022198
O=C(N[C@@H]1[C@H]2COC[C@@H]12)c1n[nH]c2c1CCC2	ZINC22_330038719,EMOLS-id_100289403,MCULE-1144105514	233.266	BOTIUQAPQQQQFH-MBTKJCJQSA-N	00100010100000000001010010000000000000000000000000000000	25-01-022199
c1(C#N)c(N)n2c(ccc2)c1=Cc1ccccc1	MCULE-7789218941,PC-id_12202860	233.268	YOGVVOZPRMCLHD-UHFFFAOYSA-N	00000000100000110000000010000000000000000000000000000000	25-01-022200
C=C=CCNC(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319421343	233.27	UZBUTKSTKVIADY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022201
o1c(CNC(c2n3CCCc3nn2)C)cnc1	PC-id_65967007	233.27	GDSPMJMNTUFYAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022202
CNCc1c2CSCc2nn1CC(F)F	MCULE-3604489103,EMOLS-id_324395102	233.281	ZRGIKGBDYGLYNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022203
Nc1sc2c(c1C(=O)c1ccco1)CCC2	SCHEMBL137201,PC-id_9813406	233.286	XIIGSNQYWZOGEN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022204
S(C1Cn2c(C1)coc2=O)c1ccccc1	PC-id_73297443	233.286	XDDNBRHYDRLDDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022205
S([C@@H]1Cn2c(C1)coc2=O)c1ccccc1	PC-id_16639263	233.286	XDDNBRHYDRLDDH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-022206
Cn1nncc1C(=O)c1sc2c(c1)CCC2	PC-id_115806857	233.29	PLCXJZNOAGAKNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022207
n12ncnc1sc(=CC1CCC=CC1)c2=O	MCULE-2610847883	233.29	XDGYJKORCVQLLI-UHFFFAOYSA-N	00000000100011000001000010000000000000000000000000000000	25-01-022208
Nc1ccn(C(=O)c2cc3c(s2)CCC3)n1	ZINC22_84613335,EMOLS-id_44595858,MCULE-5658600950,PC-id_71844203	233.29	DFSLARIKQQZUQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022209
N#CC1(CC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_80598023,EMOLS-id_314283541	233.29	HEKFBIQTCCGIPW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022210
O=C(c1sc2c(c1)CCC2)Nc1cc[nH]n1	EMOLS-id_38279017,EMOLS-id_257817853,PC-id_61393103,MCULE-2807336527	233.29	KWMCGCWCSOGNAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022211
O=C(c1sc2c(c1)CCC2)Nc1cn[nH]c1	EMOLS-id_37621609,PC-id_43430764	233.29	YQWSSYYPFQWRLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022212
O=C(c1sc2c(c1)CCC2)Nc1[nH]ccn1	EMOLS-id_39871816,PC-id_63565015	233.29	QYEFMEAMFOKWIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022213
s1c(C(=O)Nc2n[nH]c3CCCc23)ccc1	PC-id_9921028	233.29	GHEVQHOAWSLTFE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-022214
[n+]12[nH]cc(c1NCC2)Cc1c([nH]nc1)CCN	PC-id_82390011	233.293	LTYGASONUFCYLT-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-022215
Nc1ccc(nn1)Nc1sc2c(n1)CCC2	PC-id_116456209	233.293	KUZJHDNRIILPDB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022216
Nc1ccnc(n1)Nc1sc2c(n1)CCC2	PC-id_116796704	233.293	HVRYHUWFLHLKJZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022217
Nc1nccc(n1)Nc1sc2c(n1)CCC2	PC-id_108199963	233.293	SAEFSGBHMPUWAS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022218
Nc1nccnc1Nc1sc2c(n1)CCC2	PC-id_102986109	233.293	VONBJUVNEURFIZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022219
Nc1ncnc(c1)Nc1sc2c(n1)CCC2	PC-id_114561912	233.293	QAVXKVFCRDDEIF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022220
s1c2CCCc2nc1Nc1ncc(nc1)N	PC-id_80653147	233.293	SMAOTOACXZRCEH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022221
s1c2CCCc2nc1Nc1nc(N)cnc1	PC-id_80648253	233.293	YYKISIKGOVMEFL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-022222
Fc1ccccc1Cc1nc2CCCc2s1	MCULE-8343396918,EMOLS-id_207611977	233.304	VPJIMJFHJMHWES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022223
Fc1ccc(Cc2nc3CCCc3s2)cc1	MCULE-6523087149,EMOLS-id_207611974	233.304	ZVTOIPUKIIDARP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022224
Fc1cccc(Cc2nc3CCCc3s2)c1	MCULE-6371927875,EMOLS-id_207611984	233.304	NBILUWZOSYDDMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022225
CC1CCCCN1C(=O)c1occ2c1CCC2	EMOLS-id_102335340	233.306	NWMYXPNAVGCNBE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-022226
CC1CCC(N1C(=O)c1occ2c1CCC2)C	EMOLS-id_102822878	233.306	VIMRHRBPXUPAJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022227
CC1CCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_102318488	233.306	KNBDNDPZBGDFTD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-022228
CC1CCN(C1C)C(=O)c1occ2c1CCC2	EMOLS-id_102349608	233.306	NANRVFLSXYOTJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022229
CC1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_102711387	233.306	HJLZEEXKCHMYGU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-022230
CC1CN(CC1C)C(=O)c1occ2c1CCC2	EMOLS-id_102685830	233.306	LZKQNQPXBBZZME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022231
CCCc1cn2c(c1)C(=CC2)C(=O)OC(C)C	PC-id_70450069,SCHEMBL10816137	233.306	WLBGKBFXJKRTMU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022232
o1c2c(c(C(=O)C3CCCCC3)c1N)CCC2	PC-id_83447127	233.306	YUPTUKHAXCXGOO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-022233
O=C(c1occ2c1CCC2)N1CCC(C1)(C)C	EMOLS-id_102297700	233.306	YDZWYJRDYYUIBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022234
O=C(c1occ2c1CCC2)N1CCCCCC1	EMOLS-id_102557189	233.306	YJDWDECESIFPOL-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-022235
O=C(N1CCCC1(C)C)c1occ2c1CCC2	EMOLS-id_102711867	233.306	CZZJIEFKMXOQSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022236
NS(=O)(=O)OCc1cc2CCCc2s1	EMOLS-id_314017691,MCULE-6424586389	233.308	ZOZHBLIGSCMJIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022237
c1(cn2c(CCC2)n1)C(=O)N1CCCC(C)C1	EMOLS-id_321298391,MCULE-7780217414	233.309	OUGLECRUYRNUCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022238
c1(cn2c(CCC2)n1)C(=O)N1CCC(C)CC1	MCULE-1702771435,EMOLS-id_321295315	233.309	QPGPJEQTNIMGSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022239
c1(cn2c(CCC2)n1)C(=O)N1CCCCCC1	MCULE-3087385755,EMOLS-id_321295320	233.309	NFBFHWVGALZSDX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022240
c1(CNC(=O)CC2CC2)c2CCCc2nn1C	PC-id_91819388,ZINC22_225817951,EMOLS-id_53884645,MCULE-2293654416	233.309	JTBGHMFSRCWKRD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022241
c1(C(=O)N2CCCCC2)c2CCCc2n(C)n1	MCULE-5889428415,EMOLS-id_179745010,PC-id_110388981	233.309	UAPGTELRBVRYQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022242
c1(C(=O)NC2CC2)c2CCCc2n(CCC)n1	EMOLS-id_324389463,MCULE-1591222537	233.309	PSMCTRUENUQFLE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022243
c1(C(=O)NC2CCCC2)c2CCCc2n(C)n1	EMOLS-id_179745007,PC-id_110388980,MCULE-8707953745	233.309	RUSPYIRJNWRPBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022244
c1(C(=O)NC2CCCCC2)c2CCCc2[nH]n1	EMOLS-id_179744499,MCULE-3985174987,PC-id_110388806	233.309	LRWZJRLMCBEIJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022245
c1(C(=O)NC2CCCCC2)cn2c(CCC2)n1	EMOLS-id_321295059,MCULE-9171029223	233.309	AJYHYFCAXQJOCF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022246
c1(C(=O)N)c2C(C)CCc2n(CC2CCC2)n1	EMOLS-id_331041793,MCULE-7307854427	233.309	LGHGPTHKDIWVET-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022247
c1(C(=O)N)c2C(C)CCc2nn1CC1CCC1	EMOLS-id_330959552,MCULE-9329126467	233.309	JCRIRFLEKBJLSL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022248
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1CC1	EMOLS-id_331021752,MCULE-8804310100	233.309	UDYODXJOSXRWNY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022249
c1(C(=O)NCC)c2CCCc2n(CC2CC2)n1	MCULE-3900985189,EMOLS-id_324387671	233.309	LHPORSLPSNDQNW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022250
c1(NC(=O)C2CCCC2)n(C)nc2CCCc12	MCULE-8902487573,ZINC22_38884734,EMOLS-id_43484319,PC-id_45536825	233.309	YSRBQOGXQFRXRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022251
CC1CC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319842421,MCULE-8054978668	233.309	VAKYMNOKHRXIFV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022252
CC1CCCCN1C(=O)c1cc2n(n1)CCC2	EMOLS-id_102786207	233.309	FYIQCWQIDSBFGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022253
CC1CCCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_102786228	233.309	ASABYZZHICOTTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022254
CC1CCCCN1C(=O)c1n[nH]c2CCCc12	MCULE-9549423847,EMOLS-id_102252199	233.309	VPNXXSPESFQVQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022255
CC1CCC(N1C(=O)c1cn2c(n1)CCC2)C	EMOLS-id_102952290	233.309	LCZLZFXDQFIHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022256
CC1CCC(N1C(=O)c1cnn2c1CCC2)C	EMOLS-id_102786651	233.309	FUTSKJKLQKNVJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022257
CC1CCC(N1C(=O)c1nn2c(c1)CCC2)C	EMOLS-id_102848553	233.309	MTGYWZTZGNFXND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022258
CC1CCC(N1C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_102541048,MCULE-5430948341	233.309	QQICTZOSVFCIIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022259
CC1CCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_102785308	233.309	OBLWULFBNYQCIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022260
CC1CCCN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102785342	233.309	IMIJUHIKILAKNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022261
CC1CCCN(C1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_102631028,MCULE-2689790415,PC-id_110388872	233.309	JKLCHPPQXFOKEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022262
CC1CCN(C1C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102950385	233.309	OYJIHIAZWCRPGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022263
CC1CCN(C1C)C(=O)c1cnn2c1CCC2	EMOLS-id_102782874	233.309	VYVFZBHEQTWHAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022264
CC1CCN(C1C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102782865	233.309	DPTLQCBLMLXVCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022265
CC1CCN(C1C)C(=O)c1n[nH]c2c1CCC2	MCULE-4884361650,EMOLS-id_102644577	233.309	COGCATSZHXEXAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022266
CC1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_102834337	233.309	MLJIQAZWUOPJAG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022267
CC1CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102834313	233.309	WWMADHRCEAELJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022268
CC1CCN(CC1)C(=O)c1n[nH]c2CCCc12	MCULE-3672313045,EMOLS-id_102386694,PC-id_110388807	233.309	NXEDDYQMJWQAMD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022269
CC1CN(CC1C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102949017	233.309	YVHOMZIGXVDVBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022270
CC1CN(CC1C)C(=O)c1cnn2c1CCC2	EMOLS-id_102850069	233.309	IMDRFRWFTCOWAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022271
CC1CN(CC1C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102848472	233.309	XXUMFHLPJRTJPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022272
CC1CN(CC1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102738125	233.309	KPOSTOZPKKXNKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022273
C#CCCCC(c1sc2c(c1)CCC2)NC	PC-id_105033614	233.372	CPGADJJGSZSUHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022368
CCC1(CC1)C(=O)NCc1cnc2n1CCC2	MCULE-3112798931,EMOLS-id_319911094	233.309	SSVWDFSYGRJJFP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022274
CCc1nc2c(n1CC)C(=O)/C(=C/N(C)C)/C2	PC-id_142345837	233.309	RHHZIECKCFPAEK-CMDGGOBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022275
C=CCC1(O)CN(C1)Cc1cnn2c1CCC2	EMOLS-id_319141133	233.309	OKYKEPABIIKKAJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022276
C=CCC1(O)CN(C1)Cc1nn2c(c1)CCC2	EMOLS-id_318964872	233.309	GKEPMBXLTHBIHK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022277
CC(CC(=C)C(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_319275729	233.309	UTPDAPRTCOXYSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022278
CC(CC(=C)C(=O)NC1CCn2c1ncc2)C	EMOLS-id_319757972	233.309	OZCUEEAWAKYNFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022279
C=CC(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_318972519	233.309	NTEYNJCDGDNSQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022280
C=CC(C(=O)NCc1n[nH]c2c1CCC2)(C)C	MCULE-2231641662,EMOLS-id_320221065	233.309	LZJBGFBDVKKMHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022281
C[C@H]1CC[C@@H](C)N1C(=O)c1n[nH]c2c1CCC2	ZINC22_135234900	233.309	QQICTZOSVFCIIF-DTORHVGOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022282
C[C@H]1CC[C@H](C)N1C(=O)c1n[nH]c2c1CCC2	ZINC22_135234919	233.309	QQICTZOSVFCIIF-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022283
C[C@@H]1CC[C@@H](C)N1C(=O)c1n[nH]c2c1CCC2	ZINC22_135234942	233.309	QQICTZOSVFCIIF-RKDXNWHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022284
C[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)[C@@H]1C	ZINC22_267581750	233.309	COGCATSZHXEXAS-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022285
C[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)[C@H]1C	ZINC22_267581752	233.309	COGCATSZHXEXAS-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022286
C[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)[C@@H]1C	ZINC22_267581753	233.309	COGCATSZHXEXAS-RKDXNWHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022287
C[C@H]1[C@H](C)CCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_267581748	233.309	COGCATSZHXEXAS-BDAKNGLRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022288
CN1CCN(CC1)C(=O)c1[nH]c2c(c1)CCC2	SCHEMBL13562345,PC-id_70937804	233.309	VEXUSRZDJTXXLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022289
CN(/C=C
/Cc2c(C1=O)c(n(n2)C)C(C)C)C	PC-id_142345783	233.309	KRWIGKKQWDURGJ-CLFYSBASSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022290
O=C1Nc2c(C1=Cc1cccs1)ccs2	PC-id_59043145,SCHEMBL7144438	233.309	VCIAGDKMWQOTQS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-022291
O=C1Nc2c(/C/1=C/c1cccs1)ccs2	SCHEMBL7144430	233.309	VCIAGDKMWQOTQS-TWGQIWQCSA-N	00000010100100000000000010000000000000000000000000000000	25-01-022292
O=C1Nc2c(/C/1=Cc1cccs1)ccs2	SCHEMBL7144434,PC-id_22976061	233.309	VCIAGDKMWQOTQS-RMKNXTFCSA-N	00000010100100000000000010000000000000000000000000000000	25-01-022293
O=C(c1c2c(CCC2)[nH]n1)N1CCCCCC1	PC-id_110388875,MCULE-1360625853,ZINC22_49679165,EMOLS-id_102588732	233.309	PVUYXKGWMATZFI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022294
O=C(C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319355524	233.309	HKCFRQSDSFETSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022295
O=C(C1(C)CCC1)NCc1cnc2n1CCC2	EMOLS-id_319595540	233.309	ZZWYWRYIZYOKOX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022296
O=C(c1cnn2c1CCC2)N1CCC(C1)(C)C	EMOLS-id_102697592	233.309	YIRFAOWPVHFURV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022297
O=C(c1cnn2c1CCC2)N1CCCCCC1	EMOLS-id_102784534	233.309	HUCGGPLUJSUSAF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022298
O=C(c1nn2c(c1)CCC2)N1CCC(C1)(C)C	EMOLS-id_102781389	233.309	SVSWEXZWIQFYSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022299
O=C(c1nn2c(c1)CCC2)N1CCCCCC1	EMOLS-id_102784513	233.309	KBVJUEZHHDTVBL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022300
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)(C)C	EMOLS-id_102427462	233.309	FVEXTHHTRKTCRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022301
O=C(C(C1CC1)C)NCc1cnc2n1CCC2	EMOLS-id_319942279,MCULE-5558938201	233.309	YNXWIGPFBGEUMX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022302
O=C(C(C1CC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319068658	233.309	CCYXNMXNEHZDKB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022303
O=C(CC1CCC1)NCc1cnc2n1CCC2	EMOLS-id_319903729,MCULE-5043700320	233.309	HVAXMIWRGNSKAY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022304
O=C(CC1CCNCC1)c1[nH]c2CCCc2n1	PC-id_84736412	233.309	GFMWFSDBSJTCJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022305
O=C([C@H]1CC1(C)C)NCc1n[nH]c2c1CCC2	MCULE-7247134617,EMOLS-id_320319506	233.309	PEQXKQCYXMALSU-SECBINFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022306
O=C(N1CCCC1(C)C)c1cnn2c1CCC2	EMOLS-id_102844812	233.309	AAYUIZLVQRIHKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022307
O=C(N1CCCC1(C)C)c1nn2c(c1)CCC2	EMOLS-id_102844791	233.309	XAAGXYSBCGLICS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022308
O=C(N1CCCC1(C)C)c1n[nH]c2c1CCC2	EMOLS-id_102356687	233.309	ALMUHTXZOYFCGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022309
O=C(Nc1n[nH]c2c1CCC2)C1CCCCC1	PC-id_9964677	233.309	VEUIDYOZWUMUOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022310
O=C(NCc1cnc2n1CCC2)CCC1CC1	EMOLS-id_320297769,MCULE-8580488185	233.309	OSMXHVNSSCHJNG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022311
O=C(NCc1n[nH]c2c1CCC2)CCC1CC1	EMOLS-id_319246730	233.309	GNZZICADNXDFMP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022312
CSc1n[nH]c2c1CN(C2)S(=O)(=O)C	PC-id_135296142,SCHEMBL20462824	233.311	LJOYQUCBPOKUBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022313
S(=O)(=O)(CC)N1Cc2c(nc(N)s2)C1	PC-id_82194232,MCULE-5436123919	233.311	OSMSPZMMJWHUAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022314
S(=O)(=O)(Nc1sc2c(n1)CNC2)CC	PC-id_82194121	233.311	FIAFNWTZDDZSDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022315
Cc1nn2c(c1)N[C@@H](S2)[NH2+]c1ccccc1	PC-id_135674903	233.313	GRUDNJWCIFKAFB-NSHDSACASA-O	00000010100000110001000010000000000000000000000000000000	25-01-022316
Cc1nn2c(c1)N[C@H](S2)[NH2+]c1ccccc1	PC-id_135674904	233.313	GRUDNJWCIFKAFB-LLVKDONJSA-O	00000010100000110001000010000000000000000000000000000000	25-01-022317
C=C/C(=NN(C)C)/c1nc2c(n1CC)CNC2	PC-id_144979342	233.313	ULJGVDCZGKSAHK-OQLLNIDSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022318
S1[n+]2[nH]c(cc2N[C@@H]1Nc1ccccc1)C	PC-id_51517931	233.313	GDMHIBAGJQYEIP-NSHDSACASA-O	00000010100000110001000010000000000000000000000000000000	25-01-022319
c1(C(N)c2ccc(C)o2)cc2c(CCC2)s1	MCULE-4864437414,PC-id_61714545	233.329	UOSLBPYHUWLYLJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022320
c1(C(N)c2cccs2)c2CCCc2oc1C	PC-id_83610158,MCULE-1945667343	233.329	GUVRIQJUESQKGJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-022321
c1coc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_37993982,PC-id_60984033	233.329	GBJCXOMALKBLBX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022322
C#CCCCNC(=O)c1sc2c(c1)CCC2	PC-id_103709135	233.329	FQXJAVKKDVNQRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022323
CC#CCCNC(=O)c1sc2c(c1)CCC2	PC-id_115979831	233.329	SNRYTHZQSJNGSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022324
CCCC(C(=O)c1sc2c(c1)CCC2)C#N	PC-id_79404397,EMOLS-id_42252873	233.329	CPIQCXNBQWMUNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022325
C#CCC(NC(=O)c1sc2c(c1)CCC2)C	PC-id_115662091	233.329	KBAXHANVSKMNSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022326
C#CCN(C(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_314397078,PC-id_78970833	233.329	HLWMJFSTOKKVSB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022327
CCC(NC(=O)c1sc2c(c1)CCC2)C#C	PC-id_103579342	233.329	FPBSZWBYSCLBLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022328
C#CC(NC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_64004584,EMOLS-id_314300340	233.329	FQXKBMZVIANVNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022329
CNC(c1sc2c(c1)CCC2)c1ccoc1	PC-id_115855377	233.329	RCVMMVRLIIGQHG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022330
NC(c1sc2c(c1)CCC2)Cc1ccco1	PC-id_105029186	233.329	BUUBPKCXAVDJSG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022331
NC(c1sc2c(c1)CCC2)Cc1ccoc1	PC-id_105029761	233.329	XSMVULWPHWGSIC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022332
N#CC(C(=O)c1sc2c(c1)CCC2)C(C)C	EMOLS-id_38211238,PC-id_61312011	233.329	ADEZFLDIRZQEKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022333
o1ccc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_39666598,PC-id_63204784	233.329	LKXFRFYIZIAEQX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022334
O=C1CCC(=C1)NCc1sc2c(c1)CCC2	PC-id_104788343	233.329	ZEJJOHHYVDGJED-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022335
s1c2c(CCC2)cc1C(NC)c1occc1	PC-id_61711384	233.329	PZHJMTYNGKPSMD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022336
S1(=O)(=O)N=C(SCC)c2c1scc2	PC-id_11776167	233.331	DJGPADNGUWCAIY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022337
S1(=O)(=O)N=C(SCC)c2sccc12	PC-id_10014223	233.331	AMZSAYQODWHUJU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022338
C1Cc2c(C1)cc(s2)CNCc1[nH]ccn1	EMOLS-id_38394770,PC-id_61558019	233.333	YRISMGGYEFONJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022339
Cn1ccc(n1)C(c1sc2c(c1)CCC2)N	PC-id_103135066	233.333	WTTWQVVQEBKZLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022340
Cn1ccnc1NCc1sc2c(c1)CCC2	EMOLS-id_38818380,PC-id_62133292	233.333	KLINXCMDXBTNFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022341
Cn1nccc1C(c1sc2c(c1)CCC2)N	PC-id_115858429	233.333	FYZUAASKJOFQSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022342
n1(CC2CCCC2)nc2c(CSC2)c1C#N	EMOLS-id_324403024,MCULE-8353305433	233.333	VBRBLZXALRVTBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022343
N(Cc1n[nH]c2c1CCC2)Cc1cccs1	PC-id_61395260,EMOLS-id_38281125	233.333	ULZQGQCWFXUGSL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-022344
[nH]1ccc(n1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138585,PC-id_61208945	233.333	CSFQJUZSLDIFDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022345
s1c2c(CCC2)cc1C(N)c1cn(nc1)C	PC-id_43464549	233.333	SSUCIBTYPAPLJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022346
s1c2c(CCC2)cc1C(N)c1n(ccn1)C	PC-id_61314750	233.333	RYTOGPYQNBHPJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022347
s1c2c(CCC2)cc1C(N)Cc1[nH]ccn1	PC-id_43464741	233.333	HMGUXMUQHYPOAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022348
s1c(CNCc2cnc[nH]2)cc2CCCc12	PC-id_62762657,EMOLS-id_39337308,MCULE-6655476428	233.333	ZUKBLMBGDUYASL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022349
o1c2c(c(CNC3CCCC3)c1CC)CCC2	PC-id_83610206	233.349	TTYPBNMAXZGLCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022350
o1c(c(CNC2CC2)c2c1CCC2)C(C)(C)C	PC-id_83610495	233.349	SLDYIHNEXWCZNN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-022351
C1CCCC(CC1)NCc1n[nH]c2c1CCC2	PC-id_61395249,EMOLS-id_38281119	233.353	VAHUNVHKLABQBT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022352
CC1CC(c2n1ccn2)NC1CCCCCC1	EMOLS-id_102364882	233.353	JPUCJUJNYMMGNB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022353
CC1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_102364879	233.353	HRLATCBMIPCFDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022354
CC1(C)CCCC(C1)NC1CCn2c1ncc2	EMOLS-id_102715177	233.353	BOGDKQLSRKQKDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022355
CC1(C)CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_102715180	233.353	KMGFLZFHYFMLNT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022356
CC1(C)CCCCC1NC1CCn2c1ncc2	EMOLS-id_102715183	233.353	LGOCQUCVDVLKMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022357
CC(C1CCC1)n1nc2CCC(C)c2c1CN	EMOLS-id_330997937,MCULE-8598157614	233.353	VLJPPGRMROLKFA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022358
CC(C1CCCC1)n1nc2CCC(C)c2c1N	EMOLS-id_331011243,MCULE-1761111144	233.353	PETWXOCPLNKWKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022359
CC(c1nc2c([nH]1)CCC2C)NCC1CCC1	PC-id_102970231	233.353	SRSHNXPSJGHAKV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022360
CC(n1nc2CCC(C)c2c1CN)C1(C)CC1	MCULE-6621319514,EMOLS-id_330997439	233.353	MFSUWBMYNFJYBO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022361
CNCc1nn(CC2CCCC2)c2CCCc12	MCULE-2011014228,EMOLS-id_324387157	233.353	JHSLWYNKEVXHAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022362
CN(C)Cc1c2CCCc2nn1CC1CCC1	MCULE-8916949938,EMOLS-id_324388447	233.353	BVHLJRSPJNAZBH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022363
n1(CC2CCCCC2)c2CCCc2c(CN)n1	EMOLS-id_324389204,MCULE-5541209839	233.353	AZQRAQVFMUWNHJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022364
N1(CCc2c3c([nH]c2C)CCC3)CCNCC1	PC-id_84796466	233.353	RCUVYGPSWAJULY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022365
C1CCC(C=C1)NCc1sc2c(c1)CCC2	PC-id_107906712	233.372	QZQPLOIMVLDNTN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022366
CC(c1sc2c(c1)CCC2)NC1CC=CC1	PC-id_115728452	233.372	YMEPYBJLJNIBPI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022367
CC#CCCC(c1sc2c(c1)CCC2)NC	PC-id_105037057	233.372	KJQPTKJEIAFPHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022369
CCCNC(c1sc2c(c1)CCC2)CC#C	PC-id_114977281	233.372	WVHNGVFDVAEIRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022370
CCNC(c1sc2c(c1)CCC2)CC#CC	PC-id_115820000	233.372	SIEGVYXZBXEHSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022371
CCNC(c1sc2c(c1)CCC2)CCC#C	PC-id_115859611	233.372	NRSBLLJKUITXMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022372
s1c2c(CCC2)cc1C(N)C1=CCCCC1	PC-id_62078658	233.372	SAIZSNHHIJNZCU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022373
s1c2c(CCC2)cc1C(NC)C1=CCCC1	PC-id_62078689	233.372	KIEGWMFFOSSKNK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022374
CCn1c2SNSc2n(c1=S)CC	PC-id_143723637	233.377	HVWQHEZIQGGRPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022375
Cc1c(c2c(n1C(C)(C)C)CCC2)C(C)(C)C	SCHEMBL16376939,PC-id_117804418	233.392	CMBBAYPMSCYZSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022376
COC(=O)c1nnn2c1S[C@H](C2)CCl	PC-id_146167097	233.675	IVDRGGXJQIKTRG-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022377
Clc1ccc(Cc2nnc3CCCn23)cc1	EMOLS-id_324802317,MCULE-5966045663	233.697	ZRVBVBPFOJFTOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022378
ClS(=O)(=O)Cc1c2c([nH]c1C)CCC2	PC-id_84796668	233.715	JQEQPDUSMQPEII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022379
c1(C(=O)NC)c2CSCc2sc1Cl	EMOLS-id_331061292,MCULE-7179989981	233.738	ZNQKWNNAJNOQAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022380
c1(C(=O)NC)sc2CSCc2c1Cl	MCULE-5180488937,EMOLS-id_330873667	233.738	DVDBTWPUEVYSPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022381
C1C2=C(C(=NN2CS1)CO)Br	EMOLS-id_337151435,PC-id_155122681	233.946	VKRFFAOSITXGOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022382
CS(=O)C1=C2C(=C(S1)Cl)CCC2=O	PC-id_153363373	233.958	CKPHYNQJWSIEJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022383
C1CC2=C(C1I)N=CN2	PC-id_153170650	233.965	WEDJYSRNGDWZMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022384
C1C(=C(C#N)C#N)C2=C(C1=O)C=C(S2)Cl	PC-id_155267942	233.965	MKLSVNMVAUQYTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022385
C1C(=C(C#N)C#N)C2=C(C1=O)SC(=C2)Cl	PC-id_155253359	233.965	YPOMHQPRFYZZSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022386
C1C(=C(C#N)C#N)C2=CSC(=C2C1=O)Cl	PC-id_155267953	233.965	CUIKDUOYSXTTQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022387
C1C2=C(OC1(CN)S(=O)(=O)N)SC=C2	PC-id_152756520	234.013	CBHDWIFNEGROJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022388
C1Cc2c(C1)[nH]nc2I	PC-id_71279477,MCULE-1971781018,EMOLS-id_48578583,SCHEMBL14737141,ZINC22_95835384,EMOLS-id_317685182	234.038	VDMYDFPQXAWWLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022389
Ic1cc2CCCn2n1	MCULE-4171537581,EMOLS-id_317768571	234.038	JSWBFXOKRXGRKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022390
IC1CCc2n1ncc2	PC-id_68209553,SCHEMBL12179302	234.038	KXLAIPGSXGGAGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022391
Ic1cn2c(n1)CCC2	SCHEMBL18007543,PC-id_122480611	234.038	OTMSHGIIWSCJCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022392
Ic1cnc2CCCn12	ZINC22_40448077,MCULE-3691491333,EMOLS-id_28304534,PC-id_51063940	234.038	JFERXDIZKVBYTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022393
Ic1cnn2CCCc12	PC-id_122129708,MCULE-2881977077,EMOLS-id_106076111,SCHEMBL18338380	234.038	QMOBFGMPECXXQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022394
BrCn1c(=O)n2n(c1=O)CCC2	SCHEMBL7305363,PC-id_19688497	234.051	JAZQUGOEUCMQSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022395
Brc1sc2c(n1)C(OC2)(C)C	EMOLS-id_96235132	234.114	FDBMDBHEPNHRIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022396
Brc1sc2C(N)CC(O)c2c1	PC-id_84049396	234.114	FBPHPDZUQGJKIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022397
Brc1sc2C(O)CC(N)c2c1	PC-id_84049395	234.114	BVXYEJZNIKUASC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022398
c1(CBr)c2COCc2sc1N	MCULE-5158118986,EMOLS-id_331060527	234.114	KLGGDNPOFGJQGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022399
c1(CN)c2COCc2sc1Br	MCULE-3716231442,EMOLS-id_331062831	234.114	DMMKNEDHAKXLOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022400
c1(CO)c2CNCc2sc1Br	EMOLS-id_331063853,MCULE-5406966238	234.114	LCYSBVUNFGQRNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022401
CC1OCc2c1c(N)c(s2)Br	PC-id_114749250,EMOLS-id_96203276	234.114	UBECPYIHYODJOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022402
ONC1CCc2c1cc(s2)Br	EMOLS-id_114788640	234.114	YKVDJSYSJWQFQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022403
c1(C(F)(F)F)oc2c(CCC2)c1CC(=O)O	PC-id_83610561,MCULE-7484308249	234.172	BCNGRUWZTQJBJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022404
c1(C(F)(F)F)c2CCCc2n(CC(=O)O)n1	BAS-02104867,CoCoCo_234638,EMOLS-id_1370105,ZINC22_286832,ChEMBL-DNDi_CHEMBL1710069,PC-id_653577,SCHEMBL1006167,MCULE-4428891402	234.175	JJVIKYVCIPXTOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022405
CC(=O)Cn1c2c(COC2)c(n1)C(F)(F)F	PC-id_90162707,SCHEMBL15724329	234.175	PXEMCHKYSASSJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022406
CC(=O)Cn1c(c2COCc2n1)C(F)(F)F	PC-id_90162708,SCHEMBL15724330	234.175	GAJWLXJBNKGQNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022407
COC(=O)c1c2CCCn2nc1C(F)(F)F	SCHEMBL21081513,PC-id_138705351	234.175	YVAPHIXKFDYTAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022408
FC(F)(F)c1ncn2C(CCc12)CC(=O)O	PC-id_82389857	234.175	SGYLXHRIPPWMQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022409
FC(F)(F)c1[nH]c2c(CNC2)c1C(=O)OC	PC-id_82389855	234.175	XJLPQLBVMXVDHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022410
FC(F)(F)c1n(nc2c1CCC2)CC(=O)O	SCHEMBL14484375,PC-id_71184915	234.175	AYEIHDOYLSALRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022411
FC(F)(F)c1nn(c2c1C(CC2)C(=O)O)C	PC-id_83861572	234.175	OOARLCPKEGUUBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022412
FC(F)(F)c1n[nH]c2c1C(CC2)CC(=O)O	PC-id_83861629	234.175	VYOYFFWQEFCXBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022413
FC(F)(F)c1oc2c(CCC2)c1C(=O)NN	PC-id_83610588	234.175	GVVGXQJQKHJBIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022414
n1(CC(F)(F)F)nc2c(CCC2)c1C(=O)O	MCULE-5791593409,EMOLS-id_317867261	234.175	NAWCVYYOWXDDCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022415
OC(=O)C1CCc2n1cnc2CC(F)(F)F	PC-id_112483317	234.175	BVQQBBWOTLIEKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022416
OC(=O)c1c(CC(F)(F)F)nn2CCCc12	EMOLS-id_337770535	234.175	QXHHWNBXKJQDHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022417
OC(=O)c1nn(CC(F)(F)F)c2CCCc12	EMOLS-id_337888297	234.175	IBNKEAIBLAWCMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022418
c1(C(=O)NCC(F)(F)F)[nH]nc2CNCc12	EMOLS-id_49188873,ZINC22_96516099,PC-id_97619437,MCULE-7229610788	234.178	ZMZMVZIJJXIXKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022419
n1(CC(F)(F)F)nc2c(CNC2)c1C=NO	EMOLS-id_324354156,MCULE-2818633827	234.178	MUAAJJGKQCLNAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022420
CC(C)(C)C1([C@@H](CN2C1=CC=C2)N)C(C)(C)C	PC-id_153482805	234.21	ITHMZBBUAVOCHZ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022421
O=C(N1CCn2c1ccn2)COc1ccon1	EMOLS-id_319214164	234.211	YXVNKCKQPONGCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022422
O=C(N1CCn2c1ncc2)COc1nocc1	EMOLS-id_320150923,MCULE-8545704087	234.211	UDXQUXVXYZCSOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022423
C1Cn2c(c(c(=O)n2C1)N=Nc1ncc[nH]1)O	SCHEMBL3401544,PC-id_136155033	234.215	AWGVUKNMWGYTME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022424
Oc1n2CCCn2c(=O)c1/N=N/c1[nH]ccn1	SCHEMBL3401543	234.215	AWGVUKNMWGYTME-OUKQBFOZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022425
CC1CCc2c1c(CO)nn2CC(F)(F)F	EMOLS-id_331011827,MCULE-2678896048	234.218	IXTIJDPMDDTPHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022426
CC1CCc2nn(CC(F)(F)F)c(CO)c12	EMOLS-id_330995891,MCULE-4306759711	234.218	OELDRLMRGYDDCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022427
CC(C)n1c2c(CCC2O)c(n1)C(F)(F)F	PC-id_90162782,SCHEMBL15724405	234.218	NACMGKVZHVJTRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022428
CC(C)n1c2c(C(CC2)O)c(n1)C(F)(F)F	SCHEMBL15724413,PC-id_90162790	234.218	ANYTVPRQKKASNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022429
CC(n1nc2CCC(C)c2c1O)C(F)(F)F	MCULE-5438246282,EMOLS-id_331005613	234.218	FPYFZBKLPIBOTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022430
CC(n1nc(O)c2C(C)CCc12)C(F)(F)F	EMOLS-id_330959344,MCULE-8277915447	234.218	FGHZKBGLDLZQCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022431
FC(F)(F)c1nn(c2CC(O)Cc12)C(C)C	SCHEMBL14555480,PC-id_71204422	234.218	DVVQJCMDMIZNCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022432
O=C(N1CCn2c1ncc2)Nc1nnn(n1)C	MCULE-8571960832,EMOLS-id_316599800	234.218	DXLKAYHXBNXIIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022433
c12c(CNC)cnn1CCN2CC(F)(F)F	EMOLS-id_317866480,MCULE-4502707319	234.222	FFIBCKRLJDEGIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022434
c12CN(Cc1nn(C)c2CN)CC(F)(F)F	EMOLS-id_324349293,MCULE-6735640805	234.222	KLTFXKNIGKBUGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022435
c1(C(F)F)nn(c2CSCc12)CC(=O)O	EMOLS-id_317871090,MCULE-8721368172	234.223	NWXWWFMDIOMDFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022436
Fc1ccc(=O)n(c1)Cc1nnc2n1CCC2	EMOLS-id_318401378	234.23	WXAOPPVJLDSBRU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-022437
FC(F)(F)C(=O)Cc1cc2CCCc2s1	EMOLS-id_313984322,MCULE-8264663417	234.238	DXMCJAYXYDNIEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022438
FC(F)(F)c1nn(c2c1CCC2)CCC[NH3+]	PC-id_42550615	234.241	BXAYVYJFTNNLAZ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-022439
FC(F)(F)c1n(nc2c1CCC2)CCC[NH3+]	PC-id_42574035	234.241	UOPVKBJKKSRTPF-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-022440
O(CCC1CCC=C1)c1occ2c1C(=O)OC2	PC-id_10933394	234.248	VHNGUDCJIKYRAE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022441
C=CO/C=C(/C1Cc2c(C1)c(n[nH]2)C(=O)O)C	PC-id_143311109	234.251	XCTKAMBSTGFBJB-VOTSOKGWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022442
NC(=O)C1CN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_319493100	234.251	QAXGLKQRIKOTTB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-022443
OC(=O)Cc1cn2c(c1C(=O)C1CC1)NCC2	PC-id_96597204	234.251	MCOCGUXOPIPOAD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022444
c12CN(Cc1nn(C(C)C)c2C#N)C(=O)OC	EMOLS-id_324357736,MCULE-2025585379	234.254	JBCAWGJTCVFIKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022445
CN=C/C(=CN)/C1Cc2c(C1)c(n[nH]2)C(=O)O	PC-id_143311036	234.254	HSBSMMVNUCPNCF-YAIJZZRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022446
N#Cc1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380327,PC-id_118614062	234.254	KGLDFDQUNLQECI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022447
N#Cc1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C	PC-id_105494293	234.254	SNXDWPRPDLNIES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022448
NC(=O)C1CN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_319559586	234.254	XSEBTRGFJGHBST-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022449
NC(=O)C1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319273810	234.254	ZOABPGHXHIJRNK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022450
O=C1CN(CN1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98972428	234.254	NDXDYMQMTWFVNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022451
O=C1CN(C(=O)c2n[nH]c3c2CCC3)CCN1	ZINC22_225507536,MCULE-2971946507,EMOLS-id_53750996,PC-id_100659647	234.254	DEZQITRLRFUETP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022452
O=C1NCC(C1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99036648	234.254	DIRXUBGFLWYOSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022453
O=C1NCCCC1C(=O)N1CCn2c1ccn2	MCULE-3447817526,EMOLS-id_320247662	234.254	BMKOKMNRKMMHHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022454
O=C(C1CC1)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68442680,SCHEMBL2924096	234.254	PDCGSJJFZFRHCR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022455
O=Cc1n[nH]c2c1CN(C2)C(=O)N1CCCC1	PC-id_118484612,SCHEMBL17224433	234.254	TYBGOCZRMNRATA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022456
O=C(C(=O)N1CCn2c1ncc2)NCC1CC1	EMOLS-id_279043851	234.254	SWNCMTBRAOCCSW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022457
O=C(N1CCCC1=O)C[C@@H]1CCc2n1nnc2	PC-id_101161776	234.254	BFEGVTWYVCBTAW-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022458
O=C(N1CCn2c1ncc2)C1CCN(C1=O)C	EMOLS-id_279043857	234.254	FGHKVGAXFMIYKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022459
OC(=O)C=Cc1n2N=C(C(C)(C)C)Cc2nn1	PC-id_76609701	234.254	KRGLZOJJPVDMOT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022460
OC(=O)/C=C/c1n2N=C(C(C)(C)C)Cc2nn1	SCHEMBL13931162,PC-id_57578090	234.254	KRGLZOJJPVDMOT-SNAWJCMRSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022461
C=C/C=C(C=C(C1COc2n1c(C)cn2)/C)/F	PC-id_142091484	234.269	YVWZSDBBHVLTGP-XIPKQYMXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022462
o1c2[n+](CCC2)cc1CCCC#CC(=O)OC	PC-id_10451204	234.271	OSFXZFHGNFWLBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022463
OC(c1scc2OCOc12)c1ccccc1	PC-id_121226322,MCULE-2892210797,EMOLS-id_81805065	234.271	CALKDZRGSKYMIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022464
c1(snc2CCCc12)NC(=O)c1ccco1	PC-id_54774359,MCULE-5455085013	234.274	RIEQRBIBMFDHKX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022465
CC(=C)Cc1[pH]c(c2c1COC2)CC(=C)C	PC-id_101497417	234.274	QDDPYPGAQQPRSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022466
CC(=O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327853550,MCULE-9866390477	234.274	KFRBGJBVDRKYKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022467
O=C(c1cccs1)Nc1onc2c1CCC2	PC-id_16942286,Chemmine_45362,CoCoCo_5123828	234.274	XRJQVRGSMBWXPT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-022468
O=C(c1occc1)Nc1sc2c(CCC2)n1	EMOLS-id_31854629,MCULE-4521470167,ZINC22_6526923,PC-id_3610550	234.274	ANIUCQNTOMIRFM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022469
s1c2CCCc2nc1NC(=O)c1ccoc1	PC-id_33040616	234.274	ONQDEFRFFWNALQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022470
s1cc(nc1)C(=O)c1c2CCCc2oc1N	PC-id_83447128	234.274	XJBPHNRKFSSMOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022471
c1(cc2c(CCC2)s1)C(=O)Nc1nnc[nH]1	MCULE-5327570716,PC-id_60659864,EMOLS-id_37244096	234.278	ILILFIYXYNAJTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022472
c1(C(=O)Nc2sccn2)c2CCCc2[nH]n1	EMOLS-id_180404698,PC-id_110678730,MCULE-6882012944	234.278	IJUBCIAYKPTFFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022473
Cc1ncsc1C(=O)N1CCn2nccc12	PC-id_119053069,ZINC22_252484236,EMOLS-id_76009417,MCULE-8524197926	234.278	FSIULZOVNNFMIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022474
O=C(c1ccns1)NC1CCn2c1ncc2	EMOLS-id_320004815,MCULE-6916770300	234.278	IXVMNHOJBLKYFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022475
O=C(c1cn2c(n1)CCC2)Nc1ccns1	EMOLS-id_316487849	234.278	HGJLTOJPOXBRMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022476
O=C(c1cn2c(n1)CCC2)Nc1nscc1	EMOLS-id_319744185	234.278	DWDYVQCUJDXSGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022477
O=C(c1cnc2n1CCC2)Nc1nscc1	EMOLS-id_319555386	234.278	ZSHWBFAIHDRGSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022478
O=C(c1cn[nH]c1)Nc1sc2c(n1)CCC2	EMOLS-id_37664196,PC-id_60770965	234.278	UQPDHECOQXDHOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022479
O=C(c1n[nH]c2c1CCC2)Nc1nscc1	MCULE-5454792644,EMOLS-id_320258921	234.278	XVLVXIGAWMENJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022480
s1c2CCCc2nc1NC(=O)n1ccnc1	PC-id_81269989	234.278	ZEVCRTPCZRNXLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022481
o1c2c(CCC2)c(c1C(C)(C)C)/C=C/C(=O)O	PC-id_83610535	234.291	NRFKUOWRCOVLPM-BQYQJAHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022482
S=S1C=c2c(=C1)c(c(s2)C(=O)O)F	PC-id_118030853,SCHEMBL16661615	234.291	LVOPWRCHLZASLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022483
c1(c2CCCc2oc1C)C(=O)N1CCNCC1	PC-id_83610135,MCULE-1357494959	234.294	ZOCRJCWLPGLBHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022484
c1(C(=O)O)c2CCCc2n(CC2CCCC2)n1	EMOLS-id_324388433,MCULE-8734759425	234.294	KCAZTZMPRMMPGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022485
c1(C(=O)O)c2CCCc2nn1CC1CCCC1	MCULE-7143605311,EMOLS-id_324389211	234.294	YERYDYHRKMGIQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022486
c1(C(=O)O)c2C(C)CCc2n(CC2CCC2)n1	MCULE-4097520085,EMOLS-id_330987769	234.294	TXIXLCMHBSHDQO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022487
c1(C(=O)O)c2C(C)CCc2nn1CC1CCC1	EMOLS-id_330972090,MCULE-7436403305	234.294	JUCQVNQOCJGBSA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022488
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1CC1	EMOLS-id_330972850,MCULE-1871769950	234.294	HKLXTZVYINTJFQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022489
c1(C(=O)OC)c2CCCc2n(CC2CCC2)n1	MCULE-9848627021,EMOLS-id_324390481	234.294	QEASSLHUPMIBPS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022490
c1(C(=O)OC)c2C(C)CCc2n(CC2CC2)n1	MCULE-8536517217,EMOLS-id_330992639	234.294	OOFNDSPTQHKZHG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022491
c1(C(=O)OC)c2C(C)CCc2nn1CC1CC1	EMOLS-id_330979760,MCULE-6404950444	234.294	PSYABLJQQWRXPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022492
CCC1(CC)C(=O)n2c(C1=O)cnc2C(C)C	PC-id_101496523	234.294	KENPRHAGRRPFSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022493
C[C@@H]1Cc2c([C@@H]1CCC1CC1)n[nH]c2C(=O)O	SCHEMBL13638128,PC-id_70956390	234.294	UKKXDMIMILRGAW-VXNVDRBHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022494
C[C@@H]1OCC[C@@H]1NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319819367	234.294	JAIRSNFGRFZGFR-WPRPVWTQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022495
CN1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_102711360	234.294	KXOQFWBRIRCLHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022496
n1(CC2CCCCC2)nc2c(COC2)c1C=O	MCULE-2258474082,EMOLS-id_324402519	234.294	ZIDKMTIRTNVSOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022497
o1c2CCCc2nc1C(=O)CC1CCNCC1	PC-id_84736472	234.294	RUNUMKXWDGPTSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022498
O1C(=O)C(CCN2CCCCC2)c2[nH]ccc12	PC-id_66930705,SCHEMBL1170943	234.294	UXWHTJSQHFVOBG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-022499
OCC1(C)CCN1C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319989215,MCULE-7818402383	234.294	MDJQHBHXOPFLOY-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-022500
O(C(=O)c1c2n(nc1C)CC(C2=C)(C)C)CC	PC-id_51039389	234.294	XHOMUVHGPANZGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022501
OC(=O)c1n[nH]c2C(CCC3CC3)C(Cc12)C	PC-id_77969387	234.294	UKKXDMIMILRGAW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022502
OC(=O)C(C1CCCC1)c1n[nH]c2c1CCC2	PC-id_83858878	234.294	RITATIZGSJQFBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022503
c1(cn2c(CCC2)n1)C(=O)N1CCN(C)CC1	EMOLS-id_321297619,MCULE-8825534760	234.298	DUWNRKGYIFIBQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022504
c1(cnn2CCCc12)C(=O)N1CCN(CC1)C	EMOLS-id_317876476,MCULE-9160227500	234.298	NKNPDPYNBQMEPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022505
c1(C(=O)N2CCN(CC2)C)cc2n(CCC2)n1	EMOLS-id_317875708,MCULE-3922149422	234.298	QWKDOINVRCPLMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022506
c1(C(=O)NC2CC2)c2CNCc2nn1C(C)C	MCULE-4182757197,EMOLS-id_324354148	234.298	XXLRYKUWUBQNNX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022507
c1(C(=O)NC)c2CNCc2nn1CC1CCC1	MCULE-8618043391,EMOLS-id_324352108	234.298	QOYXBHDKTYLTKI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022508
c1(C(=O)N(C)C)c2CNCc2nn1CC1CC1	MCULE-3802499014,EMOLS-id_324352872	234.298	UXCFYCHRGQDJES-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022509
c1(C(=O)N[C@@H]2CC[C@@H](N)C2)c2CCCc2[nH]n1	ZINC22_67872881,MCULE-7850413946,EMOLS-id_36590246,PC-id_56748987	234.298	IRLHJPCKNQWBFT-HTQZYQBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022510
CC1CCCCN1C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319094691	234.298	FIERMBJGLFYPLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022511
CC1CNCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_121573480,MCULE-1258038370,EMOLS-id_301559790	234.298	GRKGNXCPQYTPHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022512
CC1NCCN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_119576452,EMOLS-id_301678314,MCULE-2254016177	234.298	ASLFMHVRLALSPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022513
CC1=NOC(C1)CNCc1cnn2c1CCC2	EMOLS-id_278258280	234.298	POZZDJVQTNOSTQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022514
CCc1n[nH]c2c1CN(C2)C(=O)N1CCCC1	SCHEMBL19413328	234.298	STVCWNTVKBOSJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022515
C=CCC(C(=O)N1CCn2c1ccn2)N(C)C	EMOLS-id_319806514	234.298	LIMKXFRMPCJQME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022516
C=CC(=O)NC(c1nnc2n1CCC2)C(C)C	MCULE-1794333323	234.298	CAFNCXJYHFIGMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022517
C=CC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C	ZINC22_1875365965	234.298	CAFNCXJYHFIGMV-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022518
C=CC(=O)N[C@H](c1nnc2n1CCC2)C(C)C	ZINC22_1875365966	234.298	CAFNCXJYHFIGMV-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-022519
C[C@@H]1CNCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_302943006,MCULE-9340319464,PC-id_120103705	234.298	GRKGNXCPQYTPHS-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022520
C[C@H]1CNCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_120108698,MCULE-7483243874,EMOLS-id_302856189	234.298	GRKGNXCPQYTPHS-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022521
C[C@H]1NCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_102951681	234.298	KHRWLWREMPTCLI-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022522
C[C@@H]1NCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_102953523	234.298	KHRWLWREMPTCLI-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-022523
C[C@H]1NCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102497784	234.298	ASLFMHVRLALSPT-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022524
C[C@@H]1NCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102775332	234.298	ASLFMHVRLALSPT-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022525
CCN(C(=O)C1NCc2c1c[nH]n2)CC1CC1	EMOLS-id_318945727	234.298	HRDILAAKAIMTQQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022526
CN1Cc2c(CN3CCCC3=O)nn(C)c2C1	ZINC22_96259093,PC-id_97519183,EMOLS-id_44369736	234.298	INXZSDDJHCJBRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022527
CN1CCC[C@H]1C(=O)NC1CCn2c1ncc2	EMOLS-id_319711556	234.298	FXTXYKMUVQBOSO-AXDSSHIGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022528
CN1CCN(CC1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_102709419,MCULE-4443708538,PC-id_110388816	234.298	QZISNVIZPBHHNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022529
CN(C1CCNC1=O)Cc1cnc2n1CCC2	EMOLS-id_313139021,MCULE-8857006784	234.298	UCOIRTWYEPZDKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022530
CN(Cc1cnc2n1CCC2)[C@H]1CCNC1=O	ZINC22_667710969	234.298	UCOIRTWYEPZDKU-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-022531
CN(Cc1cnc2n1CCC2)[C@@H]1CCNC1=O	ZINC22_667710970	234.298	UCOIRTWYEPZDKU-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022532
CN(C(=O)N1Cc2c(C1)cn[nH]2)C1CCCC1	EMOLS-id_316610364	234.298	MGKWKDKONCNNSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022533
n1(CC2CCCC2)nc2c(CNC2)c1C=NO	EMOLS-id_324356971,MCULE-7111396186	234.298	TYJYNMAQNRHBQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022534
NC1CC(N(C1)C(=O)c1cn2c(n1)CCC2)C	EMOLS-id_316640427	234.298	XBVWCNCPRUXRFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022535
NC1CC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_316632740	234.298	FOHUWRPZPUXHBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022536
NC(C1CC1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_302911029,PC-id_120138878,MCULE-2196768089	234.298	SIXHCNHFIPZSBT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022537
NCC1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_119631098,MCULE-1720785146,EMOLS-id_301758640	234.298	JFBOWQKBSDECLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022538
NC[C@H]1CCCN1C(=O)c1cn2c(n1)CCC2	EMOLS-id_319755067	234.298	BYHGWATVHXJAHJ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022539
N[C@@H]1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102685605	234.298	MXSKTAHUIMTBLO-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022540
O=C1CCC(CN1C)NC1CCn2c1ncc2	EMOLS-id_98847327	234.298	WXXUALDTOJHRTK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022541
O=C1CC(CN1C)NC1CC(n2c1ncc2)C	EMOLS-id_98849404	234.298	WHACYPAWBSVIEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022542
O=C1N(CC2CCNCC2)Cc2n1c(nc2)C	PC-id_23138138	234.298	WOLYMGWVRIUGQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022543
O=C1NCC(C1NC1CCn2c1ncc2)(C)C	EMOLS-id_279086602	234.298	QCZJZXRRZKCQRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022544
O=C1NCCCCC1NC1CCn2c1ncc2	EMOLS-id_98847330	234.298	TVTIFFFRWUWXGJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022545
O=C(C1CNCC1)Nc1n(C)nc2c1CCC2	PC-id_119822864,MCULE-7672500517,EMOLS-id_302170505	234.298	CDDKRQQUHMYDBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022546
O=C(C1NCc2c1c[nH]n2)N1CCC(C1)(C)C	EMOLS-id_318949613	234.298	OMQKLSIJMHMRTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022547
O=C(C1NCc2c1c[nH]n2)NC1CC(C1)(C)C	EMOLS-id_319076674	234.298	WPJOCOUZKMFFFX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022548
O=C(C1NCc2c1c[nH]n2)N(C1CCCC1)C	EMOLS-id_319658473	234.298	VHSOZCKZMRASOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022549
O=C(C1NCc2c1c[nH]n2)NC1CCCCC1	EMOLS-id_319847735	234.298	MPWIQVIYFBPAID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022550
O=C(C1NCc2c1c[nH]n2)NCCC1(C)CC1	EMOLS-id_319993115,MCULE-5850702217	234.298	WTJPLCRCJYKGSF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022551
O=C(c1n[nH]c2c1CCC2)N1CCNCCC1	PC-id_119414325,MCULE-5565299255,EMOLS-id_301512606	234.298	BJZVBPYLALVZQW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022552
O=C(c1n[nH]c2c1CCC2)NC1CCCNC1	EMOLS-id_301530623,MCULE-1242226435,PC-id_119424457	234.298	IVKWRPAJAMGKIJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022553
O=C(c1n[nH]c2c1CCC2)N[C@H]1CCCNC1	PC-id_120097840,EMOLS-id_302877947,MCULE-7557421001	234.298	IVKWRPAJAMGKIJ-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022554
O=C(c1n[nH]c2c1CCC2)NN1CCCCC1	PC-id_143429587	234.298	UPGCGRYQWJEYNR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022555
O=C(N1Cc2c(C1)c([nH]n2)C)N1CCCCC1	SCHEMBL17232718,PC-id_118491689	234.298	WPHSPMYEAPEBOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022556
O=C(N1CCNCC1)c1nn(c2c1CCC2)C	PC-id_82510396	234.298	BTJCDRUBZHVPSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022557
O=C(NC1CCn2c1ncc2)CN1CCCC1	EMOLS-id_319865263,MCULE-4536704791	234.298	AZOWEMKHQNUYGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022558
O=C(NC1CC(N)CC1)c1n[nH]c2c1CCC2	PC-id_76400373	234.298	IRLHJPCKNQWBFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022559
CC(=C)CNC(=NCc1nnc2n1CCC2)N	PC-id_119117961	234.301	QFVTVZJPOVYUCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022560
C=CCNC(=NC)NCc1nnc2n1CCC2	PC-id_119116292	234.301	JHFYWCGSFYUGON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022561
CN=C(NC1CC1)NCc1nnc2n1CCC2	PC-id_119114482	234.301	UFYSFTARWZFAMD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022562
FS(=O)(=O)CCc1cc2CCCc2s1	MCULE-9396254435,EMOLS-id_314017434	234.311	XOVDUEALHGQAKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022563
O=C(c1sc2c(c1)CCC2)C1=CCCCO1	PC-id_102648570	234.314	YLOBVSARIYMCLC-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022564
O=C(c1sc2c(c1)CCC2)C1=COCCC1	PC-id_115798189	234.314	ZAJOQYOZKPDHSV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022565
OC(c1sc2c(c1)CCC2)Cc1ccco1	PC-id_115830057	234.314	ISLRYICKSIYETG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022566
OC(c1sc2c(c1)CCC2)Cc1ccoc1	PC-id_115830235	234.314	MWGMTTJHOGVMMA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022567
c1(cc2c(CCC2)s1)C(O)c1nccn1C	PC-id_61316269,MCULE-1939974310	234.317	SPURNORTBWGAQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022568
c1(cc2c(CCC2)s1)C(=O)N(C)C(C)C#N	MCULE-1773747191,EMOLS-id_314129535,PC-id_55206675	234.317	YOQSLAXAYHQGTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022569
c1(NC(=O)C=CC=CC)sc2c(CCC2)n1	MCULE-4143073194	234.317	DWMJMHDJSUXXHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022570
c1(NC(=O)C(C)C)sc2c(CCC2)c1C#N	MCULE-2539790104,PC-id_4446534,EMOLS-id_2567541,CoCoCo_1668783,ZINC22_4069829	234.317	ZVPVDLBBIPWUFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022571
c1(NC(=O)CCC)sc2c(CCC2)c1C#N	TIMTEC540462,CoCoCo_4971355,ZINC22_4075789,MCULE-6111715968,EMOLS-id_5424456,PC-id_3407031	234.317	XATBASQWSHVDME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022572
C/C=C/C=C/C(=O)Nc1nc2CCCc2s1	EMOLS-id_334662360	234.317	DWMJMHDJSUXXHD-CRBCFSCISA-N	00000010100000000001000010000000000000000000000000000000	25-01-022573
CCC(NC(=O)c1sc2c(c1)CCC2)C#N	EMOLS-id_314266109,PC-id_61119077	234.317	XPWIXQIWJPMTNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022574
Cn1ccc(n1)C(c1sc2c(c1)CCC2)O	PC-id_103138544	234.317	HJCOWBSTJQJDSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022575
Cn1ncc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115589791	234.317	SGJGCLMDHIBBEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022576
Cn1nccc1C(c1sc2c(c1)CCC2)O	PC-id_115798973	234.317	STLAVMSFGWWEPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022577
n1c(CNCc2ccco2)sc2CCCc12	MCULE-2990001425,EMOLS-id_315897453,PC-id_46784923	234.317	ZJLFLFZXQLWJFK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022578
n1coc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_41586548,PC-id_65964643	234.317	DTXROIPKABQTJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022579
N#CCCCNC(=O)c1sc2c(c1)CCC2	PC-id_55209379,EMOLS-id_314228234	234.317	VAQHAJJPTROICP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022580
N#CCC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_314164372,PC-id_62092623	234.317	QEVVGFFCZPHGQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022581
N#CC(CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_314779310,PC-id_62651293	234.317	OUHIXZWVHLRUOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022582
N#CCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_28386758,EMOLS-id_314286596	234.317	LDXZKBHECCAFCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022583
N#CCN(C(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_314115192,PC-id_61902089	234.317	DBAMZXDTLURDAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022584
N#CC(NC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_61125360,EMOLS-id_315161623	234.317	MDVSMAKSEHCFQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022585
NNC(c1sc2c(c1)CCC2)c1ccco1	PC-id_105306017	234.317	LJUZXMRWKRSOPK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022586
NNC(c1sc2c(c1)CCC2)c1ccoc1	PC-id_105305834	234.317	KRTKDDWLXAYMTI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022587
o1ccc(c1)CNCc1sc2c(n1)CCC2	PC-id_115887317	234.317	HXVDCMAZWZNHCJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022588
s1c2c(CCC2)cc1CNCc1conc1	PC-id_61207787	234.317	GDAXCGSQOSOFTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022589
s1c2CCCc2cc1C(O)Cc1[nH]ccn1	PC-id_61082436,MCULE-7143162471	234.317	WMWYLNRSJONNPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022590
s1c2CCCc2nc1CC(N)c1occc1	PC-id_82066899	234.317	QAVGFQMRKQSHRS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022591
C1Cc2c(C1)nc(s2)CNCc1[nH]ncc1	PC-id_115887463	234.321	WHNJJKDIBWBOGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022592
c1csc(CNC[C@H]2CCc3nccn23)n1	ZINC22_306144403	234.321	ZEHZGZIBEODUOY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022593
c1csc(CNC[C@@H]2CCc3nccn23)n1	ZINC22_306144404	234.321	ZEHZGZIBEODUOY-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-022594
Cc1nscc1NCc1cnc2n1CCC2	EMOLS-id_318421849	234.321	GWOJPAKXIRPIQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022595
Cc1nscc1NCc1cnn2c1CCC2	EMOLS-id_318828591	234.321	MDALITSTSHSACB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022596
C=CCNC(=S)NN=C1CCn2c1ccc2	PC-id_91942209,MCULE-5999686663,EMOLS-id_300995788	234.321	AIAXMZAJQVUMHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022597
C=CCNC(=S)N/N=C
/CCn2cccc12	PC-id_75479179,ZINC22_95947324	234.321	AIAXMZAJQVUMHT-LCYFTJDESA-N	00000010100000000000000010000000000000000000000000000000	25-01-022598
CC(=N)/C(=C/1C(=N)Sc2c1nn(c2C)C)/C	PC-id_145425196	234.321	PHKZMRBKIKZTJP-SGDZYSHHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022599
Cn1ccc(n1)NCc1sc2c(n1)CCC2	PC-id_115887865	234.321	QQWIQWGLWQQJNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022600
Cn1ncc(c1)NCc1sc2c(n1)CCC2	PC-id_115887402	234.321	PBJIEWAJAAGFSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022601
Cn1nccc1NCc1sc2c(n1)CCC2	PC-id_115887918	234.321	UIOXNULGHPYOLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022602
Cn1nncc1C(c1sc2c(c1)CCC2)N	PC-id_105043438	234.321	HVVPOXPJOSXJBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022603
C(NCc1nccs1)C1CCc2nccn12	EMOLS-id_55743734	234.321	ZEHZGZIBEODUOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022604
N#Cc1c(/N=C/N(C)C)sc2c1CN(C2)C	PC-id_58116931,SCHEMBL12908872	234.321	GWVZXAUIMXSTQS-NTUHNPAUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022605
s1c2CCCc2nc1[C@@H](N)Cc1[nH]cnc1	PC-id_83292819	234.321	NJYZYYKNOAPVSM-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022606
s1c2CCCc2nc1C(N)c1cn(nc1)C	PC-id_61330097	234.321	NGPZRNAYUZJABT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022607
s1c2CCCc2nc1C(N)c1n(cnc1)C	PC-id_66117543	234.321	QCTNJRXCRRLSBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022608
s1c2CCCc2nc1C(N)Cc1[nH]cnc1	PC-id_83292818	234.321	NJYZYYKNOAPVSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022609
s1c2c(CN(C2)C)c(c1N=CN(C)C)C#N	PC-id_70796467	234.321	GWVZXAUIMXSTQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022610
o1c(c2c(CCC2)c1C)C(CCCC)C(=O)C	PC-id_10537667	234.334	GVXQONIUFZJFHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022611
CC1CCc2c1c(C=O)nn2CCC(C)(C)C	MCULE-1075752702,EMOLS-id_331005437	234.337	CFHYUNNEMJCJPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022612
CC1CCc2nn(CCC(C)(C)C)c(C=O)c12	MCULE-9362089350,EMOLS-id_330986430	234.337	RHHCARAXZCFSDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022613
Cc1n(C)c(c2c1C(C)(CC2(C)C)C(=O)N)C	PC-id_12369140,SCHEMBL11334665	234.337	DZYYAUXDZPXJSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022614
CC(C1CCC1)n1nc2CCC(C)c2c1CO	EMOLS-id_330989755,MCULE-4141066532	234.337	OSICWANQWZMOMA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022615
CC(C1CCCC1)n1nc2CCC(C)c2c1O	MCULE-8731216251,EMOLS-id_331007397	234.337	IDTHPRDLAJFURC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022616
CC(C1CCCOC1)n1cc2C(C)CCc2n1	EMOLS-id_331000239,MCULE-6570330697	234.337	LDMVEUBWNHTLQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022617
CC(C1CCOCC1)n1cc2C(C)CCc2n1	EMOLS-id_330999727,MCULE-3077778697	234.337	ZXIVVLFPFKJFEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022618
CCC(CC)Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330987454,MCULE-6092857147	234.337	PTPSMGLKRPWSDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022619
CCC(CC)Cn1nc(C=O)c2C(C)CCc12	EMOLS-id_331002366,MCULE-3371087414	234.337	PNSSKTSULNDYKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022620
CC[C@@H](c1ccc2n1C(=O)N[C@H]2CC(C)C)C	PC-id_101788066	234.337	PQMFDSPCEFWFEZ-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022621
CC(n1nc2CCC(C)c2c1CO)C1(C)CC1	EMOLS-id_330993337,MCULE-6489154426	234.337	DOXJOYMTOWFFDA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022622
CC(n1nc2CCC(C)c2c1C=O)C(C)(C)C	EMOLS-id_330988734,MCULE-3477638156	234.337	OXEAJUKYMGNHOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022623
CC(n1nc(C=O)c2C(C)CCc12)C(C)(C)C	MCULE-6595962443,EMOLS-id_331003902	234.337	OUXHIVOYHLNLSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022624
o1c2c(c(CCN3CCNCC3)c1C)CCC2	PC-id_84797106	234.337	NBKHKCRXQNZQTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022625
O=C(c1sc2c(c1)CCC2)c1cccs1	EMOLS-id_37654341,PC-id_43463016	234.337	RMVQDWXLIBQEPE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-022626
O=C(c1sc2c(c1)CCC2)c1ccsc1	PC-id_114975224,EMOLS-id_107785333	234.337	UWMWKKQJZNVLOF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-022627
O=CN(CCc1c(C)cc2n1CC(C2)(C)C)C	PC-id_139381162,SCHEMBL21235759	234.337	YMCWESZEDCOQBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022628
C1CCN(C1)CCNCc1n[nH]c2c1CCC2	PC-id_104384944,EMOLS-id_314845234	234.341	HXDDDFMGVRERMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022629
CC1CC(c2c1[nH]nc2NC1CNCC1)(C)C	PC-id_113861828	234.341	JVRNHISQGLCVHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022630
CC1(C)CCc2c1[nH]nc2NC1CCNCC1	PC-id_114698127	234.341	SSDAQCUTDRNPMJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022631
CC(c1cc2n(n1)CCC2)NCC1(N)CCC1	EMOLS-id_102113031	234.341	RFJFMMRCXBOHBN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022632
CCC1CCc2c1[nH]nc2NC1CCNCC1	PC-id_113618887	234.341	AQOCXMAMGKUTPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022633
C=CCCC(NC(c1nnc2n1CCC2)C)C	PC-id_104646645	234.341	WMAIFINOHLPJAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022634
CC(=C)CNC(c1nnc2n1CCC2)C(C)C	MCULE-6651867307,PC-id_75457157,EMOLS-id_48765248	234.341	WCGCXDOCIJMKPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022635
C=C(C)CN[C@@H](c1nnc2n1CCC2)C(C)C	PC-id_97307190,ZINC22_95941297	234.341	WCGCXDOCIJMKPA-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022636
C=C(C)CN[C@H](c1nnc2n1CCC2)C(C)C	ZINC22_95941296,PC-id_97307189	234.341	WCGCXDOCIJMKPA-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022637
CC(NC(c1nnc2n1CCC2)C)CC1CC1	PC-id_104663717	234.341	QCUYMBNGWYGVPO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022638
CC(NCc1n[nH]c2c1CCC2)CNC1CC1	PC-id_113407437	234.341	HDAJNQJJVHLSAP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022639
CN1Cc2c(C1)c(n(c2)C)CN1CCNCC1	PC-id_96596165	234.341	CZTQTODDFOSHRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022640
CN1Cc2c(CN3CCCCC3)nn(C)c2C1	PC-id_97413570,ZINC22_96094617,EMOLS-id_46194682	234.341	IBASHVMGPVSXIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022641
CN1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_102364816	234.341	FVQWQCSQDXTBKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022642
CNC1(CCCCC1)Cc1nnc2n1CCC2	EMOLS-id_41115907,PC-id_65243071	234.341	ZOUSQJNZWRIRMD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022643
C(NCc1n[nH]c2c1CCC2)CCNC1CC1	EMOLS-id_315922695,PC-id_104423372	234.341	UBEXUFGXNPBDKQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022644
CN(Cc1n[nH]c2c1CCC2)CCNC1CC1	PC-id_104413812,EMOLS-id_314493129	234.341	YPUOHIGDIWESAV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022645
n12c(nnc1CCC2)CC1(CCCCC1)CN	PC-id_61659917,EMOLS-id_38480337	234.341	JKGPXNANPICFTM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022646
n12c(nnc1CCC2)C(C1CCCNC1)(C)C	PC-id_83197671	234.341	YWEJLQTUCVTTCB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022647
n1(CC2CCCCC2)c(CN)c2c(CNC2)n1	MCULE-8216961433,EMOLS-id_324347757	234.341	SFYPETXKDNXCKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022648
N1(CCc2nn(c3c2CCC3)C)CCNCC1	PC-id_84697981	234.341	DPASXCRFFJJWMA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022649
N1(CCc2n(nc3c2CCC3)C)CCNCC1	PC-id_84697983	234.341	GYYKIGBAVNTVSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022650
N1CC(C(Cc2n3CCCc3nn2)C)CCC1	PC-id_81046580	234.341	GUENJZRETVDNDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022651
N(C1CC(CC1)C)C(c1n2CCCc2nn1)C	PC-id_64502143	234.341	UUNUTUMSHXUOGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022652
N(C1C(CCC1)C)C(c1n2CCCc2nn1)C	PC-id_65044105	234.341	JNNGZKQSAQUVGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022653
N(C1CCCCC1)C(c1n2CCCc2nn1)C	PC-id_43748122	234.341	GRBIVOKUXSONHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022654
NC1(CCCCC1)CNC1CCn2c1ncc2	EMOLS-id_102112875	234.341	KBUKHNGYEYRVPE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022655
NC1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_98849410	234.341	DUPKSXVPPMPCLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022656
N(C(C1(CC1)C)C)C(c1n2CCCc2nn1)C	PC-id_43748118	234.341	WOPQYAKSEHVDCX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022657
N(C(C1CC1)CC)C(c1n2CCCc2nn1)C	PC-id_64917994	234.341	LEIQDYSMADRXLO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022658
N(CC1CCCC1)C(c1n2CCCc2nn1)C	PC-id_62071570	234.341	KTFAPUDXXAFKBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022659
NCC1CCCC1NC1CC(n2c1ncc2)C	EMOLS-id_102103475	234.341	UDIRNZUTEINCEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022660
NCC1CCCCC1NC1CCn2c1ncc2	EMOLS-id_102099554	234.341	FOOLIGQSJDYNNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022661
NC(c1nnc2n1CCC2)CC1CCCCC1	PC-id_114264504	234.341	MOZOZOJEBZLXMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022662
NCC(C1CCCC1)NC1CCn2c1ncc2	EMOLS-id_102097613	234.341	ZSJGVZMCFLKBPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022663
N[C@@H]1CCCC[C@H]1NC1CC(n2c1ncc2)C	EMOLS-id_102151080	234.341	JMRYSJCPUPFXAY-BFUDSRACSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022664
O=C(c1sc2c(c1)CCC2)C1CCCCC1	PC-id_114962206	234.357	OCPJVXXWOTWCTQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-022665
O=C(c1sc2c(c1)CCC2)CC1CCCC1	PC-id_114969345	234.357	PSEYZNOLTNOIIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022666
s1c2c(CCC2)cc1C(O)C1=CCCCC1	PC-id_62078736	234.357	BHVVCKPOLBRQAE-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022667
C1=CCC(CC1)NCc1sc2c(n1)CCC2	PC-id_115887607	234.36	HUJHFJPIPOFPLS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-022668
C1CCC(C=C1)NCc1sc2c(n1)CCC2	PC-id_115887879	234.36	VNAYEGUBCTXVMP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-022669
C1CCC(=NC1)NCc1sc2c(c1)CCC2	PC-id_79507921,EMOLS-id_42318589	234.36	IVAFYYZWODYICZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022670
C=C1CCCN(Cc2nc3CCCc3s2)C1	ZINC22_667619413,EMOLS-id_195350763,MCULE-7805079445	234.36	KBICGUDQQFYQLI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022671
CC(c1sc2c(n1)CCC2)NC1CC=CC1	PC-id_115997479	234.36	NUEWMCRYSSORBK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022672
CC(=c1sc(=C(C)C)c2=NC(N=c12)(C)C)C	NSC706199,PC-id_397776,CoCoCo_5772941	234.36	KXZSRWKODLQGKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022673
CCC(C1Cc2c(C1)c(c(s2)N)C#N)(C)C	PC-id_69599407,SCHEMBL5897234	234.36	XSPUCCZHGQSQLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022674
CCC(C1CCc2c1sc(c2C#N)N)(C)C	PC-id_69599395,SCHEMBL5897153	234.36	VAOVQDGJGNDZPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022675
C#CCCCC(c1sc2c(c1)CCC2)NN	PC-id_105333394	234.36	BEZNRLMMTMEHCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022676
CC#CCCC(c1sc2c(c1)CCC2)NN	PC-id_105334967	234.36	MOJWDLOCYQJXAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022677
C#CCCCCNCc1sc2c(n1)CCC2	PC-id_115887883	234.36	DCBUZEPZUDJHIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022678
C#CCC(NCc1sc2c(n1)CCC2)CC	PC-id_115887690	234.36	HOBPSGDBPYABLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022679
CNCCCCC1C=Nc2c1sc(c2)C=C	PC-id_138615857,SCHEMBL20979818	234.36	UGUKRQULZLYZKD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022680
N#CCCCCNCc1sc2c(c1)CCC2	PC-id_61521182,EMOLS-id_38365022	234.36	RFKXFSZMVPMHHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022681
N#CCC(NCc1sc2c(c1)CCC2)CC	EMOLS-id_38138641,PC-id_61207976	234.36	NTMTWGCYYVSLBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022682
s1c(nc2c1CCC2)C(NC1CC1)C1CC1	PC-id_61334297	234.36	ZKYGVWBFDVLWDK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022683
CCN1C(CC)c2c(C1C(CC)(C)C)[nH]cc2	PC-id_68258689,SCHEMBL12403747	234.38	NEAYBMJSPBRLGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022684
CC(C1=Cc2c(C1)cc(s2)C(C)(C)C)(C)C	PC-id_90181150,SCHEMBL15746189	234.4	ONCNFRYEYVOEFR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022685
CCCCC1=CCc2csc(c12)CCCC	PC-id_91801409	234.4	MDOGHMZXZUDIOG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022686
CC1CCc2c1c(CCl)nn2CC(F)F	EMOLS-id_331030022,MCULE-2876795193	234.673	SMNAOPYTHIPEHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022687
CC1CCc2nn(CC(F)F)c(CCl)c12	EMOLS-id_331011254,MCULE-3433760646	234.673	QLLDKGGOFVKOTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022688
ClS(=O)(=O)Cc1c2CCCc2oc1C	PC-id_84797176	234.7	KAJUOZHHFPEZMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022689
Clc1n(nc2c1CS(=O)(=O)C2)C(C)C	PC-id_59050181	234.703	SUCDVGDTUIPCBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022690
ClS(=O)(=O)Cc1n2CCCc2nc1C	PC-id_84698174	234.703	QQPRQMXSYQJMME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022691
ClS(=O)(=O)Cc1nn(c2c1CCC2)C	PC-id_84698175	234.703	YHSIHZDRDCIYOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022692
ClS(=O)(=O)Cc1n(nc2c1CCC2)C	PC-id_84698176	234.703	VALKECIGEQHHMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022693
ClS(=O)(=O)CCc1n[nH]c2CCCc12	EMOLS-id_314015427,MCULE-2169318836	234.703	OUFJZFFDXXIYNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022694
c1(C(=O)OC)c2CSCc2sc1Cl	EMOLS-id_331062827,MCULE-6571349841	234.723	CMPYWEDNKVXZOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022695
c1(C(=O)OC)sc2CSCc2c1Cl	MCULE-9650828309,EMOLS-id_330871875	234.723	NCNSFKJXSINOAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022696
C1Sc2c(C1)nc(NC(=O)CCl)s2	MCULE-9347954052,PC-id_53274908	234.726	LTTWRNSJSBFWNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022697
C1Cc2nnc(n2C1)I	PC-id_163769825	234.961	MFLVHIKQQCTCHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022698
c12CCCc1noc2I	MCULE-4714876424,EMOLS-id_317768826	235.022	QVTUTQXWRFNRCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022699
c12NCCn1ncc2I	EMOLS-id_62514229,PC-id_137032178,MCULE-1909266287	235.026	RKXGRNFCLSOQKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022700
C1c2c(CN1I)[nH]nc2	SCHEMBL6892221,PC-id_88057610	235.026	NLQOPPLLFZRYIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022701
Ic1n[nH]c2c1CNC2	PC-id_118493371,SCHEMBL17234810	235.026	VAUSQHGROSHDDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022702
C1CC2=CC=C(N2C1)C(=O)C3=C(C=CO3)Cl	PC-id_153747010	235.04	RLUUEOQMMSPZOF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-022703
C1[C@H](C2=C([C@@H]1O)OC=C2)NC(=O)C(F)(F)F	PC-id_153785738	235.046	PBMQZXGARNTFNZ-PHDIDXHHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022704
c12COCc1nn(CCF)c2Br	EMOLS-id_324400980,MCULE-3815318945	235.054	UKIUXIQSTPWOHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022705
O=Cc1c(Br)sc2c1OCO2	PC-id_96596047	235.055	HLUJYWMNDQJWSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022706
O=Cc1sc2c(c1Br)OCO2	PC-id_96596048	235.055	PTKWPYAIMYYHGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022707
O=Cc1sc(c2c1OCO2)Br	PC-id_96596049	235.055	XRZSENHAHJABBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022708
C1C2=C(C(=O)N1)N(N=C2)C[C@@H](C(F)(F)F)O	PC-id_151487284	235.057	PNSJOZJEHSVCRS-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022709
CC1=C(N2CCCC2=C1C(=O)O)C(=O)C(=O)C	PC-id_155038523	235.084	GEEJPVQSEYDSGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022710
OB(C1CCN(C1)Cc1nn2c(c1)CCC2)O	MCULE-7704768452,EMOLS-id_177339343	235.091	GVTXWDPRTXDQKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022711
c1(CO)c2COCc2sc1Br	EMOLS-id_331062575,MCULE-1256047680	235.098	IMGIJXWJMLOEMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022712
[B]c1cc2c(n1C(=O)OC(C)(C)C)CCS2	PC-id_90077333	235.11	SFCKCWTYXFVIMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022713
CC1=CC2=C(C1)C(=NN2CC3=CC=CC=C3)C#N	PC-id_162287966	235.111	QMDZRGCEDDCXGS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-022714
Brc1c2SC(=O)Cc2sc1	PC-id_70702390	235.121	RIENGSREJDIMIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022715
Brc1cc2c(s1)C(=O)CS2	PC-id_98009318	235.121	UTYWJAJNSTUIIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022716
Brc1scc2c1SCC2=O	PC-id_82389558	235.121	FMKPNULDEPPFQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022717
CC(C)(C)c1nn2c(c1)CN=C2CCC(=O)O	PC-id_163686077	235.132	PQPKRCASRFSVLP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022718
CN1CCN(CC1)C(=O)N2CC3=C(C2)N=CN3	PC-id_154689259	235.143	KBMWIAOACLBRNG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022719
B([C@H]1CCN(C1)CC2=NN3CCCC3=C2)(O)O	PC-id_164643042	235.149	GVTXWDPRTXDQKK-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-022720
COC(=O)c1cc2c(o1)N(CC2)C(F)(F)F	PC-id_101203912	235.16	UGRKLSQHSZYTLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022721
FC(F)(F)c1c2C[C@@H](O)Cc2[nH]c1C(=O)O	PC-id_57659877,SCHEMBL12777421	235.16	BUIYOECXLPPBHS-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022722
FC(F)(F)c1c2CC(O)Cc2[nH]c1C(=O)O	SCHEMBL8157838,PC-id_70290723	235.16	BUIYOECXLPPBHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022723
FC(F)(F)c1c2[C@@H](O)CCc2[nH]c1C(=O)O	SCHEMBL12777415,PC-id_57659955	235.16	TZVYBPAAYUGAPO-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022724
FC(F)(F)c1c2c([nH]c1C(=O)O)[C@H](O)CC2	SCHEMBL12777418,PC-id_57659947	235.16	YIBJMYWUUCMQOZ-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022725
FC(F)(F)c1c2c([nH]c1C(=O)O)C(O)CC2	SCHEMBL8145092,PC-id_70287412	235.16	YIBJMYWUUCMQOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022726
FC(F)(F)c1c2C(O)CCc2[nH]c1C(=O)O	SCHEMBL8157847,PC-id_70290726	235.16	TZVYBPAAYUGAPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022727
FC(F)(F)c1noc2c1C(CC2)CC(=O)O	PC-id_83861467	235.16	SMEOVCULUWACAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022728
c12CN(Cc1n[nH]c2C(=O)O)CC(F)(F)F	MCULE-9746923359,PC-id_83918930,EMOLS-id_317874165	235.163	QPSCMRXKJJEDPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022729
c12n(CCN1CC(F)(F)F)ncc2C(=O)O	EMOLS-id_317865215,MCULE-1696335528	235.163	VCHNFERMWCTDJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022730
c12N(CCn1nc(C(=O)O)c2)CC(F)(F)F	MCULE-5680756768,EMOLS-id_317878260	235.163	WWZZYVIWXSCRJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022731
c1(C(F)(F)F)[nH]nc2CN(CC(=O)O)Cc12	EMOLS-id_317870582,MCULE-9226319154	235.163	VAGHBKFJUHFOIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022732
c1(C(F)(F)F)nn(c2CNCc12)CC(=O)O	MCULE-7827963777,EMOLS-id_317870322	235.163	CUKPLALUHHPPQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022733
CC(C1CC(c2nc(nn12)C(=O)O)F)(F)F	SCHEMBL20640805,PC-id_137408133	235.163	FYXFIIRNTPAHFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022734
CC([C@@H]1C[C@@H](c2nc(nn12)C(=O)O)F)(F)F	SCHEMBL20640807,PC-id_137408135	235.163	FYXFIIRNTPAHFQ-IMJSIDKUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022735
COC(=O)c1c2NCCn2nc1C(F)(F)F	PC-id_137221516,SCHEMBL18740020	235.163	GXLZZSDNBHXPNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022736
OC(=O)C1(N)Cc2c(C1)[nH]nc2C(F)(F)F	PC-id_112483025	235.163	FJISYBBWDHFVTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022737
Brc1c(C)sc2c1CSC2	PC-id_89762186,SCHEMBL15202663	235.164	YQASZLRQZNRNDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022738
BrCc1csc2CSCc12	EMOLS-id_331060521,MCULE-6338156643	235.164	BAEXRVAYSQNLLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022739
SC1CCc2sc(Br)cc12	MCULE-9771552539,EMOLS-id_276884005	235.164	ORYHXSOQZRUPOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022740
CCN1C2=C(C(NC2)C(C)(C)C)N=C1C(=O)C	PC-id_160412674	235.168	QGUNQTUYZSKKPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022741
NC(=O)c1cc2c(s1)N=NC2C(F)(F)F	PC-id_117737586,SCHEMBL16291378	235.186	VYXXAUKVYLNHLJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022742
O=C(c1cc2c(s1)N=NC2)NC(F)(F)F	PC-id_117737587,SCHEMBL16291380	235.186	HMJSIVASXIZGPH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022743
O=C1N(C(=O)c2ncn(c12)CC=C)CC(=O)O	PC-id_83814514	235.196	FCBSGRNUNVTETM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022744
OCc1c(CO)c(C(F)(F)F)n2c1CCC2	NSC259674,LI_176533,CoCoCo_5561543,PC-id_318885,ZINC22_5437216	235.203	AASPXESVTPMRBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022745
CNCc1c2COCc2nn1CC(F)(F)F	MCULE-8831858346,EMOLS-id_324402009	235.206	LYHIFKJSKOXYJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022746
OC(=O)c1nc2n(c1)NC(S2)C(F)(F)C	SCHEMBL18678390	235.211	IPEXGVOIINBJMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022747
n12ncnc1sc(=CNc1nnc[nH]1)c2=O	MCULE-2934087371	235.226	KWWIIEPXMSOLNC-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-022748
O=c1/c(=C/Nc2nnc[nH]2)/sc2ncnn12	ZINC22_256055550,PC-id_117588266	235.226	KWWIIEPXMSOLNC-RJRFIUFISA-N	00000000100000000001000010000000000000000000000000000000	25-01-022749
O=C(C(F)(F)F)NC1CCc2c1ccs2	SCHEMBL5272680,PC-id_58686941	235.226	FRSRGEICVYHTCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022750
S=C(N)c1c2CCCc2oc1C(F)(F)F	PC-id_83610556	235.226	HYOUHFUWJNUBJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022751
[se]1c2CC(Cc2sc1=S)C	PC-id_85950091	235.228	HNEHHNOFQGOBPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022752
[se]1c2CCC(c2sc1=S)C	PC-id_85950093	235.228	YNAITLDLEHWXGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022753
C=CCOC(=O)C1CCn2c1c(cc2)C(=O)O	SCHEMBL11046089,PC-id_70502508	235.236	XSTCBHCNPZCDBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022754
CCC(=Cc1c2N(CCn2nc1)C=O)C(=O)O	PC-id_88007685,SCHEMBL6541382	235.239	NWHFLJHZEVUEJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022755
CCNC(=O)c1nc(n2c1C=CC2)C(=O)OC	PC-id_101058753	235.239	CNINFCAABFQWOG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022756
CCOC(=O)C=Cc1c2N(CCn2nc1)C=O	PC-id_86595308,SCHEMBL6541373	235.239	ZSAWAUWUOMNLJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022757
CCOC(=O)/C=C/c1cnn2c1N(C=O)CC2	SCHEMBL6541371	235.239	ZSAWAUWUOMNLJW-ONEGZZNKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022758
o1c2=NC(=Cc2c/c/1=C/NN(C)C)C(=O)OC	PC-id_11837508	235.239	UJBLRVLRISNPFK-VURMDHGXSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022759
o1c2=NC(=Cc2cc1=CNN(C)C)C(=O)OC	PC-id_5416277	235.239	UJBLRVLRISNPFK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022760
O=C(c1cc2n(n1)CCO2)N1CCC(=O)CC1	EMOLS-id_100490655	235.239	UYWVXKXIBKDXGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022761
O=C(NC1(C(=O)O)CC1)c1cnc2n1CCC2	EMOLS-id_303585164,ZINC22_585139571,MCULE-5926457591	235.239	BFETXGWDJNTSAT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022762
O=C(O)C1(C(=O)N2CCn3nccc23)CCC1	ZINC22_902625562,PC-id_146138223	235.239	LSOAXBHLMAYNER-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022763
CC(C)CC(=O)Cc1c(n2C(=N)N=Nc2n1)O	PC-id_135441684	235.243	QHWYJALFWDNEDD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022764
CC(C)CC(=O)CC1=Nc2nnc(N)n2C1=O	SPECS-id_AT-225/JK08862,PC-id_343335,Chemmine_63065,CoCoCo_5636596,ZINC22_16942792,LI_194220,NSC382749	235.243	RZNWLENSNCXWGR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022765
O=C(C1CC1)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2918865,PC-id_68440741	235.243	QDWRIFJMVWRLAD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022766
O=S(c1nn2c(n1)C(CC2C)F)C(F)C	PC-id_142577313	235.254	UFYMVXGILDSHQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022767
FC1=CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102319536	235.257	HNRJQSRTGKFZFB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-022768
s1c2CNCc2nc1NC(=O)c1occc1	PC-id_82194060	235.262	DDPOESVECPCKPT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022769
s1c2CN(Cc2nc1N)C(=O)c1occc1	PC-id_82194171	235.262	GAUIBLYKKQGWHR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-022770
c1(C(=O)Nc2nncs2)c2CCCc2[nH]n1	MCULE-2153990503,EMOLS-id_323256253	235.266	LOVKXASQUXBWLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022771
O=C(c1[nH]cnn1)Nc1sc2c(n1)CCC2	PC-id_80373282,EMOLS-id_315447052	235.266	WHSFOJFBGWVCTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022772
O=C(c1nn[nH]c1)Nc1sc2c(n1)CCC2	EMOLS-id_314828752	235.266	MBAXVVSCDHSUOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022773
FC(CNCc1csc2c1CCC2)(F)F	PC-id_114749202	235.269	ONIXMGRZVPPBNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022774
FC(CNCc1sc2c(c1)CCC2)(F)F	PC-id_60998228,EMOLS-id_38008102	235.269	ZRKAWDAEBKDFHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022775
NC(Cc1cc2CCCc2s1)C(F)(F)F	MCULE-1852820735,EMOLS-id_314043198	235.269	YYTKUCOCSBKAJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022776
NCC(c1cc2CCCc2s1)C(F)(F)F	MCULE-2264674662,EMOLS-id_313984067	235.269	NJJVOYUCTLCFEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022777
CC1OCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_303436363	235.279	JYKROMVKRVMUCE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022778
CC(C)(C)C(=O)c1ccc2n1CCC2C(=O)O	MCULE-7087470569,CHEMBL8737,PC-id_13487072	235.279	MCQVBOMOPLDCPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022779
C[C@@H]1COCCN1C(=O)c1occ2c1CCC2	EMOLS-id_102291703	235.279	WKAKERZCCKDRPO-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022780
C[C@H]1COCCN1C(=O)c1occ2c1CCC2	EMOLS-id_102800552	235.279	WKAKERZCCKDRPO-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-022781
C[C@@H]1OCC[C@@H]1NC(=O)c1occ2c1CCC2	EMOLS-id_318800383	235.279	OHVULVUUJUBZLE-KWQFWETISA-N	00000010100000000000000010000000000000000000000000000000	25-01-022782
C[C@H]1OCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_102270864	235.279	JYKROMVKRVMUCE-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022783
C[C@@H]1OCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_102334007	235.279	JYKROMVKRVMUCE-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-022784
C[C@@H](C1CN(C1)C(=O)c1occ2c1CCC2)O	EMOLS-id_319250342	235.279	OCOUSWXFEBBSBJ-QMMMGPOBSA-N	00001010100000000000000010000000000000000000000000000000	25-01-022785
CCOC(=O)c1c2CC(C(=O)n2cc1C)(C)C	PC-id_134858752	235.279	JJVWDNFKBNCWNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022786
COC(=O)c1[nH]c2c(c1C(C)(C)C)C(=O)CC2	PC-id_59180105,SCHEMBL1002874	235.279	WLPCMOXFGBYZEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022787
O1c2c(n(c(c2C)C(=O)C)CC)C(C1=O)(C)C	PC-id_23386167	235.279	CYGBSIICIFTVBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022788
o1nc2c(c1C(C1CCCC1)C(=O)O)CCC2	PC-id_83858717	235.279	FGXAPECOYJJIPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022789
O=C1c2c(c(n(c2C(=O)O)C)C(C)(C)C)CC1	PC-id_82620753	235.279	VKDMLBCANGXZMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022790
OCC1(C)CCN1C(=O)c1occ2c1CCC2	EMOLS-id_319412117	235.279	CWNQAPRVOMUHIZ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-022791
O=C(c1occ2c1CCC2)N1CCOCCC1	EMOLS-id_102292476	235.279	ONIFSVDJRXHCFS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022792
OC[C@@H]1C[C@@H](C1)NC(=O)c1occ2c1CCC2	MCULE-1863807210,EMOLS-id_316425868	235.279	VJZSBEFYYUQLFP-WAAGHKOSSA-N	00001010100000000000000010000000000000000000000000000000	25-01-022793
CC1Cn2c(C1=O)cc(c2)C#Cc1ccccc1	PC-id_71117816,SCHEMBL14249308	235.281	RYZXETNVRANYHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-022794
S1(=O)(=O)Cc2c(C1)cn(S(=O)(=O)C)c2	PC-id_15320002	235.281	OHNUVRBOWCOPSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022795
S1(=O)(=O)Cc2n(S(=O)(=O)C)ccc2C1	PC-id_11053615	235.281	GAULMPNQQCDPTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022796
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1CO	EMOLS-id_323259831,MCULE-2593747889	235.282	VLLRBSIZRQAKNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022797
c1(c2CCCc2[nH]n1)C(=O)N1CCC[C@@H]1CO	MCULE-3497646662,EMOLS-id_323259575	235.282	VLLRBSIZRQAKNJ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022798
C1CCC(CC1)NC(=O)c1nn2CCOc2c1	PC-id_91959839	235.282	HOFSBEAMCJJPSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022799
C1CCCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959870,EMOLS-id_50187709	235.282	ONNYAESAAUKEIK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022800
c1(C(=O)N2CCOCC2)c2CCCc2n(C)n1	MCULE-7748921982,EMOLS-id_179745028,PC-id_110388987	235.282	KWIRJNBUFLIJMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022801
c1(C(=O)NC2CC2)c2COCc2nn1CCC	MCULE-4847238392,EMOLS-id_324399196	235.282	MYEANZHSRQTVSP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022802
c1(C(=O)NCC2CCCO2)c2CCCc2[nH]n1	MCULE-6230283299,EMOLS-id_179744515,PC-id_110388812	235.282	LAUTUCJXLZSNJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022803
c1(C(=O)NCC2CCCO2)cn2c(CCC2)n1	MCULE-2549226573,EMOLS-id_321296595	235.282	CHOIZWSALIQUKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022804
c1(C(=O)NCC)c2COCc2nn1CC1CC1	MCULE-1942758413,EMOLS-id_324401243	235.282	VESOABIVHYPHRO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022805
c1(C(=O)OC)c2CNCc2nn1CC1CCC1	EMOLS-id_324343914,MCULE-7242767385	235.282	JRWRRLVNADNHAO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022806
Cc1c2n(CCO2)nc1C(=O)N1CCCCC1	PC-id_91959978	235.282	NHEPUXJNVOOGBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022807
CC1CC(C1)C(=O)N1Cc2[nH]nc(CO)c2C1	EMOLS-id_313727442,ZINC22_1565549639	235.282	XLTQBMXKRZSRRS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022808
CC1CCCCN1C(=O)c1nn2c(c1)OCC2	PC-id_91959845,EMOLS-id_50187659	235.282	FNSOLTXISGRDHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022809
CC1CCC(N1C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_102731593	235.282	XBYJDZGIKLMOEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022810
CC1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_50187701,PC-id_91959866	235.282	VZXXGHOZMCCRCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022811
CC1CCC(O1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318974963	235.282	UATDRGVZDCHOLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022812
CC1CCN(C1C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102731893	235.282	PCJJRPPDNLLYLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022813
CC1CCN(CC1)C(=O)c1cc2n(n1)CCO2	PC-id_91959867,EMOLS-id_50187703	235.282	LRJURFIGDISYOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022814
CC1CN(CC1C)C(=O)c1cc2n(n1)CCO2	EMOLS-id_102444779	235.282	MLPNAPBDXQYSLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022815
CC1(C)OCc2c1n[nH]c2C(=O)NCC1CC1	ZINC22_2325771071	235.282	HLOLSBDCIRFYDH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022816
CC1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_303480900	235.282	MKYQUALAXNUIAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022817
CCCC=CC(C(=O)N1CCn2c1ncc2)O	EMOLS-id_279043766	235.282	YVAAKGUBUYJMBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022818
CC=CC(C(=O)NC1CC(n2c1ncc2)C)O	EMOLS-id_278892858	235.282	GOOOQMIRQALHKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022819
CC=CC(C(=O)Nc1n(C)nc2c1CCC2)O	EMOLS-id_319017790	235.282	LLIMQAPAQNIZCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022820
C=CC(C(=O)NCc1cnc2n1CCC2)(O)C	EMOLS-id_319955185,MCULE-4999459755	235.282	LRPUMJLSZFXNIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022821
CC([C@@H]1C[C@H]1NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_101510145	235.282	JQJOVACPSHEPTP-DTWKUNHWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022822
C[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102798356	235.282	CCNUTKNCQYDCFJ-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022823
C[C@@H]1OCC[C@@H]1NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319463920	235.282	ZJSKHCVDOSGCMX-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022824
C[C@@H]1OCC[C@@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319422824	235.282	COYNTOCFZPGZNY-WPRPVWTQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022825
C[C@H]1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102420949	235.282	MKYQUALAXNUIAJ-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022826
C[C@@H]1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102550381	235.282	MKYQUALAXNUIAJ-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022827
CCN(CC1CC1)C(=O)c1nn2CCOc2c1	PC-id_91959888	235.282	KZTLGHMEFJUUJU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022828
COCC1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318044659	235.282	LKFISLYYAFESTL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022829
o1c2NN(C(c2c(c1)C)(C)C=CC(=O)N)CC	PC-id_53808432	235.282	FNIVPDIIIMOSNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022830
o1nc(c2CCCc12)CC(=O)N1CCNCC1	PC-id_82510504	235.282	AMCODPCCMLHBPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022831
OC1c2[nH]c(cc2CC1)C(=O)N1CCNCC1	PC-id_68081921,SCHEMBL10264424	235.282	AMOGKORFBVOZCB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022832
OC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_110900769,EMOLS-id_102420836	235.282	HGSBMAZPYXWPMP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022833
OC1CC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_102940342	235.282	FFNUOXDNALCXIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022834
OC1CCN(CC1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_110457601,MCULE-1176760606	235.282	HLMWBFWRSNJGGZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022835
OC(C1CC1)CC(=O)NC1CCn2c1cnc2	EMOLS-id_319687031	235.282	DBGYGNQDLCANIF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022836
OCC1(CCC1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319425300	235.282	CSSQVTCCKPOSBB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022837
O=C(C1CCCCC1)Nc1cnn2c1OCC2	PC-id_139539336,SCHEMBL21414732	235.282	PNPPPMZATNFOFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022838
OCC1(C)CCN1C(=O)c1cnc2n1CCC2	EMOLS-id_320157712,MCULE-3934528464	235.282	KFJGZPDQMVSRSK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022839
OCC1(C)CCN1C(=O)c1nn2c(c1)CCC2	EMOLS-id_319862064	235.282	PTCUCVCQEOHVKH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022840
OCC1(C)CCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318812869	235.282	OTEUQWZXOUFUFQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022841
O=C(C1CCCO1)NCc1cnc2n1CCC2	MCULE-7628496048,EMOLS-id_319080603	235.282	HYDKNRTUWVYRAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022842
OCC1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110431789	235.282	IJIKOWIYFZRHGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022843
O=C(C1(C)COC1)NCc1n[nH]c2c1CCC2	MCULE-9838296357,EMOLS-id_320211801	235.282	WGNMVGGSRFELAW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022844
OCC1(CNC(=O)c2n[nH]c3c2CCC3)CC1	PC-id_112300412	235.282	KZHBKSOGSUYYNY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022845
O=C(c1cnn2c1CCC2)NCC1COCC1	MCULE-1650041906,PC-id_145879152,EMOLS-id_317030419	235.282	BPVILUQLHQDLMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022846
O=C(C1COCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319825792,MCULE-7555717606	235.282	FWHCILJWQWAOSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022847
O=C(c1nn2c(c1)OCC2)N1CCC(C1)(C)C	EMOLS-id_102624341	235.282	HMPRQYDWPOVPLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022848
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)(C)O	EMOLS-id_102486714	235.282	UGTJEJUGPCWPGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022849
O=C(c1n[nH]c2c1CCC2)N1CCOCCC1	EMOLS-id_102402790	235.282	QQCMHKFZSYOGNM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-022850
O=C(c1n[nH]c2c1CCC2)NC1(C)COCC1	EMOLS-id_98083434	235.282	RFAKIHRJJOUZQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022851
O=C(C1(O)CC(C1)(C)C)N1CCn2c1ccn2	EMOLS-id_320036445,MCULE-8282966837	235.282	FPVSIUZPLLJVCG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022852
O=C(C1(O)CCC1)NCc1cnc2n1CCC2	EMOLS-id_319658837	235.282	FOMCLEKNJSKYHZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022853
O=C(C1(O)CCC1)NCc1n[nH]c2c1CCC2	MCULE-7997478748,EMOLS-id_320274132	235.282	UPQMZBDBVFYSKU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022854
O=C(C(C1CC1)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319982003,MCULE-7211327160	235.282	VGCLDBOXHYAFCY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022855
O=C(CCC1CC1)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_1875312634	235.282	HMZPRZMROWETDJ-LLVKDONJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022856
O=C(CCC1CC1)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_1875312635	235.282	HMZPRZMROWETDJ-NSHDSACASA-N	00100010100000000001000010000000000000000000000000000000	25-01-022857
O(C(C)(C)C)C(=O)NN=C1CCn2c1ccc2	PC-id_71899705,EMOLS-id_44522096,MCULE-4852700178	235.282	ARFMADDCDMHJTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022858
O(C(C)(C)C)C(=O)N/N=C
/CCn2c1ccc2	PC-id_75362237	235.282	ARFMADDCDMHJTA-LCYFTJDESA-N	00000010100000000000000010000000000000000000000000000000	25-01-022859
O=C([C@H]1CCCO1)Nc1n(C)nc2c1CCC2	EMOLS-id_98048344	235.282	KWYKXZPVXWJTFW-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022860
O=C([C@H]1CCCO1)NCc1cnc2n1CCC2	EMOLS-id_319080347	235.282	HYDKNRTUWVYRAQ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022861
O=C([C@@H]1CCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319085351	235.282	FZQIOYIXBOBJBC-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-022862
O=C([C@H]1CCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319341171	235.282	FZQIOYIXBOBJBC-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022863
OC[C@@H]1C[C@@H](C1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319994232,MCULE-1938789500	235.282	BGUAGZVWXOVFHJ-DTORHVGOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022864
OC[C@@H]1C[C@@H](C1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319526162	235.282	GKMBRCGEYJGNFQ-DTORHVGOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022865
OCCN(C(=O)c1n[nH]c2c1CCC2)C1CC1	PC-id_112313217	235.282	ONTXBWSZHYIDEU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022866
O[C@@H]1CCC[C@H]1CC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319737641	235.282	WNSARFRPMGTNHI-GZMMTYOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022867
O[C@@H]1CCC[C@H]1CC(=O)N1CCn2c1ccn2	EMOLS-id_319455331	235.282	BTZZAOOCQQAJLW-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022868
O[C@H]1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102500408	235.282	HGSBMAZPYXWPMP-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022869
O[C@@H]1C[C@@H](C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319915928,MCULE-5489260931	235.282	DAZIXTVOUUUDMA-OCAPTIKFSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022870
O=C(N1CCCC1(C)C)c1nn2c(c1)OCC2	EMOLS-id_102424620	235.282	RZIONBCYXVQVLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022871
O=C(N1CCn2c1ncc2)CC1(O)CCCC1	MCULE-3137772910,EMOLS-id_258164389	235.282	KOCDMBZHKAOGDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022872
O=C(N1CCn2c1ncc2)CC(C1CC1)(O)C	MCULE-7814901519,EMOLS-id_258164380	235.282	LILOKGYIGBMXRZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022873
OC(=O)C1(CCCC1)Cc1n2CCCc2nn1	EMOLS-id_39421474,PC-id_62873844	235.282	QPWWWYICCXDJKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022874
O=c1/c(=C/c2cccs2)/sc2ncnn12	ZINC22_208292,EMOLS-id_2453605	235.285	SNYOWFRXSCIZQR-DAXSKMNVSA-N	00000000100100000001000010000000000000000000000000000000	25-01-022875
O=c1/c(=C/c2cccs2)/sc2nncn12	ZINC22_515463	235.285	FCRIUHIOZAPAOK-DAXSKMNVSA-N	00000000100100000001000010000000000000000000000000000000	25-01-022876
CC1NCCN(C1)C(=O)C1NCc2c1c[nH]n2	MCULE-2738605951,EMOLS-id_320060671	235.286	MVNYYEHANNUQCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022877
CN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319525949	235.286	QLDUPLCSTOPLSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022878
CN(C(=O)C1(N)CC1)Cc1nnc2n1CCC2	PC-id_65466627,EMOLS-id_41267841	235.286	HLKHKRKCDSCGSN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022879
n12ncnc1sc(=Cc1cccs1)c2=O	MCULE-6448982524,EMOLS-id_300027216,ZINC22_254706403	235.286	SNYOWFRXSCIZQR-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-022880
NC1CC1C(=O)N(Cc1nnc2n1CCC2)C	PC-id_114997014	235.286	HCRNZSPOJNMVNK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022881
NC1CC(C1)N(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319167349	235.286	HZFSEKZFDODLGB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022882
NC1CCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318926570	235.286	HLCTUYLHBDRQJI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022883
NC/C=C/C(=O)NC(c1nnc2n1CCC2)C	PC-id_112746743	235.286	YHGTWENJASYTLS-GORDUTHDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022884
O=C(N1Cc2c(C1)c([nH]n2)C)N1CCNCC1	PC-id_118491692,SCHEMBL17232721	235.286	PIEOZVZVAMIDLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022885
O=C(N1CCNCC1)Cc1n2CCCc2nn1	PC-id_82510575	235.286	NONHZMHKFHMMOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022886
O=C(NCc1n2CCCc2nn1)C1NCCC1	PC-id_83626494	235.286	OJVYNKOMVLRFEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022887
O=C(NC(c1n2CCCc2nn1)C)C1CNC1	PC-id_65961159	235.286	GHLVGRZEZXNRDJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022888
O=C(N(Cc1n2CCCc2nn1)C)C1CNC1	PC-id_65964066,EMOLS-id_41583772	235.286	YVRFEIPVBDJBOD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022889
O=C(NC(c1n2CCCc2nn1)C)C1(N)CC1	PC-id_65467002	235.286	PSYQPKNIDWTSHT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022890
O=C(NCC(c1nc2n(n1)N=C(C2)C)C)CC	PC-id_57604435	235.286	CHEMRYSWFRTKMY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022891
N=NN(C(=N)c1nc2c(n1C(C)C)CNC2)C	PC-id_144979300	235.289	CEXMKQSUOBJOPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022892
Cc1noc(n1)NCc1sc2c(c1)CCC2	PC-id_106659613	235.305	OTJZDNHJOWCUIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022893
Cc1onc(c1)NCc1sc2c(n1)CCC2	PC-id_115924617	235.305	CKRMFBYTOXNDJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022894
C#CCC(C(=O)Nc1sc2c(n1)CCC2)N	PC-id_81776239,EMOLS-id_315627170	235.305	OHFVASSYSROZGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022895
CC(C)(C#N)C(=O)Nc1nc2c(s1)CCC2	PC-id_61061255,ZINC22_44351244,CHEMBL4579063,MCULE-7883572479,EMOLS-id_48745440	235.305	HWMIIRCABVHNAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022896
CCC(C(=O)Nc1sc2c(n1)CCC2)C#N	EMOLS-id_315235966,PC-id_61875805	235.305	JEEUUJOWCMCPKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022897
C#CCNCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_42151784,PC-id_79287426	235.305	KVZAMPSADKGQDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022898
Cn1nncc1C(c1sc2c(c1)CCC2)O	PC-id_115835947	235.305	OZILIBKHXCHFES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022899
CNCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_60641299,EMOLS-id_37203860	235.305	BZRAHTNJMXQKIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022900
n1c2CCCc2sc1CCNC(=O)CC#N	PC-id_110459592,MCULE-7142505756,EMOLS-id_181136253	235.305	DGPFJQFYEXNWIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022901
N#Cc1c(NC(=O)[C@@H](N)C)sc2c1CCC2	EMOLS-id_38166111,PC-id_61260944	235.305	PCHLKAHASHXABO-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-022902
N#Cc1c(NC(=O)[C@H](N)C)sc2c1CCC2	EMOLS-id_38419624,PC-id_78973516	235.305	PCHLKAHASHXABO-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022903
N#Cc1c(NC(=O)C(N)C)sc2c1CCC2	PC-id_60719374,EMOLS-id_37357919	235.305	PCHLKAHASHXABO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022904
NCCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_61259310,EMOLS-id_38166105	235.305	VNIQEOPAEPDAKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022905
o1ccc(n1)CNCc1sc2c(n1)CCC2	PC-id_115887801	235.305	HRNGRACSCQQMFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022906
Cn1nnnc1NCc1sc2c(c1)CCC2	EMOLS-id_39620160,PC-id_63149885	235.309	DMBLCDPKVDXJJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022907
Nc1nnc([nH]1)NCc1sc2c(c1)CCC2	PC-id_66276692,EMOLS-id_41835816	235.309	MRLPKATXJWTNTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022908
c12C(C)(C(=O)O)CC(C)(C)c1c(n(C)c2C)C	EMOLS-id_195364565,MCULE-8806378221	235.322	GZNIBSBNEFIELZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022909
CCCc1cn2c(c1)C(CC2)C(=O)OC(C)C	PC-id_20253939,SCHEMBL10816132	235.322	FPLDXDDBAGZEDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022910
c1(C(=O)N)c2C(C)CCc2n(CC(C)(C)C)n1	EMOLS-id_331041795,MCULE-9548208508	235.325	QMDWELMNWMKNJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022911
c1(C(=O)N)c2C(C)CCc2n(C(C)C(C)C)n1	MCULE-3208709353,EMOLS-id_331042051	235.325	FHSTYFQVTSABON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022912
c1(C(=O)N)c2C(C)CCc2n(CCC(C)C)n1	MCULE-4283611506,EMOLS-id_331039746	235.325	UNVVWXABNGPPJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022913
c1(C(=O)N)c2C(C)CCc2n(C(CC)CC)n1	MCULE-6251614204,EMOLS-id_331042307	235.325	DBBIPRGKKWANNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022914
c1(C(=O)N)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_330959810,MCULE-3153572093	235.325	SVYJWRJEMIGQSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022915
c1(C(=O)N)c2C(C)CCc2nn1C(C)C(C)C	EMOLS-id_331022008,MCULE-2739051186	235.325	ZTWROCHBWIZUEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022916
c1(C(=O)N)c2C(C)CCc2nn1CC(C)(C)C	MCULE-7088895768,EMOLS-id_330959554	235.325	YEILEIOFMRAWDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022917
c1(C(=O)N)c2C(C)CCc2nn1CCC(C)C	MCULE-8126269982,EMOLS-id_330957505	235.325	RPPLDFIDSLYYBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022918
c1(C(=O)N(C)C)c2CCCc2n(C(C)(C)C)n1	EMOLS-id_324388950,MCULE-6532452261	235.325	SFQKILOEDHXTTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022919
c1(C(=O)N(C)C)c2CCCc2nn1CC(C)C	MCULE-4086377685,EMOLS-id_324390495	235.325	CUENQDMJJRAFLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022920
c1(C(=O)NCCC(C)C)c2CCCc2n(C)n1	MCULE-1263623000,EMOLS-id_179745223,PC-id_110389053	235.325	JONLFKJHPDHBLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022921
c1(C(=O)NCCCCC)c2CCCc2n(C)n1	MCULE-8146656708,EMOLS-id_179745226,PC-id_110389054	235.325	YJNGHCKTOPTESO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022922
c1(C(=O)N(C)CCCC)c2CCCc2n(C)n1	PC-id_110389055,MCULE-7667771637,EMOLS-id_179745229	235.325	WYEKDSWCCMZBKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022923
c1(C(=O)NCCCCCC)c2CCCc2[nH]n1	MCULE-4065493624,EMOLS-id_323254462	235.325	IPMFZMWTOZQLCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022924
c1(C(=O)N(CCC)CCC)c2CCCc2[nH]n1	MCULE-8824062616,PC-id_110388873,EMOLS-id_179744686	235.325	DMUXFEMMXUYJPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022925
o1c2c(CCC2)c(c1CCC)CNCC(C)C	PC-id_83610354	235.365	CMHTWPXCGXLQJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022997
c1(C(=O)N(CCCC)CC)c2CCCc2[nH]n1	MCULE-9072479178,EMOLS-id_334718391	235.325	JWSKDNOWSANWLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022926
c1(C(=O)N(CCC)CCC)cn2c(CCC2)n1	EMOLS-id_321294552,MCULE-3403708321	235.325	CHXSINQNGSTINV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022927
CC1(CC(C1)C(C1N(Cc2cncn12)C)O)C	PC-id_137499641,SCHEMBL20743358	235.325	FLIPYFHSRFZFDP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022928
CC1CCc2c1c(C=O)nn2CCCN(C)C	MCULE-6284799679,EMOLS-id_331005181	235.325	LQBIUYXJMIEDNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022929
CC1CC(c2n1ccn2)NC1CC(C1(C)C)O	EMOLS-id_98849479	235.325	AHDBQFJAWLTXIV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022930
CC1CC(c2n1ccn2)NCC(C1CC1)(O)C	EMOLS-id_98849476	235.325	SDVRKKIPGXATIX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022931
CC1CCc2nn(CCCN(C)C)c(C=O)c12	MCULE-1018711079,EMOLS-id_330986174	235.325	FJNKDNNJIJYMGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022932
CC1(C)OC(c2c1[nH]c(n2)CNC1CC1)(C)C	PC-id_79927350,EMOLS-id_315172134	235.325	UDGIFXFJFLRSSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-022933
CC1(C)OCCC(C1)NC1CCn2c1ncc2	EMOLS-id_102715198	235.325	BISOLIRWTWFWST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022934
CCC1CCc2c1nc([nH]2)C(C1COCC1)N	PC-id_102970607	235.325	WJMNIHMBFBNCCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022935
CC(C1CCOC1)n1nc2CCC(C)c2c1N	EMOLS-id_331012523,MCULE-4816548045	235.325	KSAHSUFBPZNNKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022936
CC(c1nc2c([nH]1)COC2C)NCC1CCC1	PC-id_102970400	235.325	SQBXCJZDUFRVEZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022937
CC(c1nn2c(c1)CCC2)N[C@@H]1C[C@](C1)(C)O	EMOLS-id_101860571	235.325	JIJJRJYYCYJJAR-AVUUSNGDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022938
CC(C1(O)CCC1)NC1CC(n2c1ncc2)C	EMOLS-id_319447147	235.325	FCSSKMIULKZCIU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022939
CC(C)CC1C(=O)Nc2cc(nn12)C(C)(C)C	PC-id_135494482	235.325	QEGJZBMJPLANJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022940
CCCCCCCC(=O)N1Cc2cn[nH]c2C1	EMOLS-id_172021212,ZINC22_311685022,PC-id_122157088	235.325	NCFNRJNXZUTKCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022941
CC(CC(=O)N1Cc2c(C1)c(n[nH]2)C(C)C)C	SCHEMBL17229673,PC-id_118489207	235.325	ZWGNRFWAECIXTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022942
CCC(C(=O)NCc1cnc2n1CCC2)CC	MCULE-1420722852,EMOLS-id_319991140	235.325	FEZBHITZVKOYAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022943
CCC(C(=O)NCc1n[nH]c2c1CCC2)CC	EMOLS-id_318873920	235.325	XWMOQSBNQWDQOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022944
CCC(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_320087312,MCULE-2700506059	235.325	KBIFJDWNIWHUAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022945
CC(N1c2ncc(n2C(C1=O)(C)C)C(C)C)C	SCHEMBL12565970,PC-id_58310273	235.325	QXKCDIZWIMSKBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022946
CCNC(=O)c1c2CCCc2nn1C(C)(C)C	EMOLS-id_324392529,MCULE-7036850453	235.325	BLGHOKRVPCAKCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022947
CN1Cc2cncn2C1C(CC1CCCC1)O	SCHEMBL20743517,PC-id_137499792	235.325	HDMRRIHTEWDMEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022948
CNCc1c2COCc2nn1CC1CCCC1	EMOLS-id_324400729,MCULE-8117541384	235.325	BDXRLPSMVAPCBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022949
COC1(Cc2n[nH]c3CCCc23)CCNCC1	EMOLS-id_313879120,MCULE-4268984945	235.325	FPFBXBCZSBHXBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022950
OC1CCC(C1)CNC1CC(n2c1ncc2)C	EMOLS-id_98849413	235.325	YJAYGOWBTYDGLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022951
OC1(CCCCC1)CNC1CCn2c1ncc2	EMOLS-id_98847339	235.325	OWOKXLFEZJLASL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022952
OC1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_98849416	235.325	RSLFBROAJOMZBP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022953
O=C1Nc2n(C1C(C)C)c(nc2CC(C)C)C	PC-id_11195697	235.325	IODKQMTZRZCAIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022954
OC(C1CCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_101362450	235.325	YPIAIPCIYQQOTG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-022955
O=C(c1sc2c(c1)CCC2)c1ccns1	EMOLS-id_107437274	235.325	DGSINTSLGKKQJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022956
O=C(c1sc2c(c1)CCC2)c1ccsn1	EMOLS-id_107533132	235.325	AFKRWMVLGZCPLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022957
O=C(c1sc2c(c1)CCC2)c1cnsc1	MCULE-9040762551	235.325	JPIDUHBZPINUNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022958
O=C(c1sc2c(c1)CCC2)c1ncsc1	EMOLS-id_266550072	235.325	IOGUWHPMXOPNRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022959
O=C(c1sc2c(c1)CCC2)c1scnc1	MCULE-1906285192	235.325	JDQGCBRNUJJNGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022960
OCC(C1CCCC1)NC1CCn2c1ncc2	EMOLS-id_101195830	235.325	NMILAANMRMJKLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022961
OC(CC1CCNCC1)c1[nH]c2c(n1)CCC2	PC-id_84736534	235.325	UAHIJIHYMJCEJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022962
O=C(CC(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318825551	235.325	ZHCKYDRVQUNKMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022963
O=C(C(C)(C)C)N1Cc2c(C1)[nH]nc2C(C)C	PC-id_118489212,SCHEMBL17229678	235.325	AAABJWOLQJJQCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022964
O[C@@H]1CC[C@H](CC1)NC1CC(n2c1ncc2)C	EMOLS-id_98849482	235.325	RSLFBROAJOMZBP-XKVACCQBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022965
c1(C(C)NC2CCCNC2)nnc2CCCn12	MCULE-2315265985,PC-id_61637910	235.329	TVJUSTDQTPDXRH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022966
c1(C(C)NC2CCN(C)C2)nnc2CCCn12	MCULE-5254056196,PC-id_62977290	235.329	UZFFMJHXCIFHAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022967
C1CSc2nc(=Nc3ccccc3)sn12	PC-id_134860016	235.329	FLFXBBRKIQGQRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022968
C1CSc2nsc(=Nc3ccccc3)n12	PC-id_134859968	235.329	ZXTIWGLRMRWCJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-022969
CC(C1=NC(n2c1nnn2)(C)C(C)(C)C)(C)C	PC-id_110182304	235.329	GLYBSGFXTOOQCS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022970
CC(c1nnc2n1CCC2)NCC1CCCN1	PC-id_113858749	235.329	ZLICHPXDRNBMFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022971
N(C1CCNCC1)C(c1n2CCCc2nn1)C	PC-id_54906993	235.329	BNFRDFWSDRLTSR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-022972
N(C1CC(N)CC1)C(c1n2CCCc2nn1)C	PC-id_79461561	235.329	MRXKZLNLFJWLPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022973
CC1CCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102336579	235.345	JXMXQDDAFBYXLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022974
CC1CN(C1C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102338643	235.345	JJQRMLHKHXXWFD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-022975
C/C=C/CCNC(=O)c1sc2c(c1)CCC2	PC-id_115628185	235.345	ALLUAIXRKZBSLJ-NSCUHMNNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022976
CC(C)C(=O)c1[n+](n(c2c1CCC2)C(C)C)C	SCHEMBL14803344,PC-id_89458165	235.345	NDHYAYVDWYAZPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022977
CCN(C(=O)c1cc2c(s1)CCC2)C1CC1	PC-id_53516892,ZINC22_65584871,MCULE-4813668283,EMOLS-id_35695250	235.345	DXGUZUGZKLQQQX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-022978
CNC(c1sc2c(c1)CCC2)C1=CCCO1	PC-id_102653203	235.345	WGQYRJSERYVVTI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-022979
NC(c1sc2c(c1)CCC2)C1=CCCCO1	PC-id_102649418	235.345	XLVQTBUENQQLJL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022980
NC(c1sc2c(c1)CCC2)C1=COCCC1	PC-id_105033111	235.345	ZXUMIJKTCNRHOA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-022981
O=C(c1sc2c(c1)CCC2)N1CCCCC1	EMOLS-id_102385700,PC-id_60644304	235.345	VTVMIWMCQCZMDO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-022982
O=C(c1sc2c(c1)CCC2)NC1CCCC1	PC-id_9208961,EMOLS-id_315242726	235.345	SFZKEZZPGDESDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022983
CC1Cc2c(S1)c(cs2)S(=O)(=O)N	SCHEMBL10557949,PC-id_53696624	235.347	BQZQWLBYKRZVSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022984
Cc1sc2c(c1)SCC2S(=O)(=O)N	SCHEMBL10563673,PC-id_70393491	235.347	MLGNSTSPAICQMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022985
CCc1scc2c1CN(C2)CC1=NCCN1	SCHEMBL9408067,PC-id_10220312	235.348	MBAVNVWYHBJILQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-022986
N#CCCCCNCc1sc2c(n1)CCC2	PC-id_115887413	235.348	HCGATAPGZIZWJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022987
N#CC(CNCc1sc2c(n1)CCC2)(C)C	PC-id_104587128	235.348	AFWUGPYJIMGRMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022988
N#CCC(NCc1sc2c(n1)CCC2)CC	PC-id_104695347	235.348	ULQNXDIDWSWYOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022989
s1c(CNC(=N)NC2CC2)cc2CCCc12	MCULE-2822583330,PC-id_62361790	235.348	QWHGSZJZVVFBKF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-022990
c1(C(C)(C)C)oc2c(CCC2)c1CNCCC	PC-id_83610494,MCULE-5506096683	235.365	MSATVLZTTBNILD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022991
c1(CNC(C)C)c2CCCc2oc1C(C)(C)C	PC-id_83610493,MCULE-1193949424	235.365	IOWRGUYWZSQPDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022992
c1(CNCCCC)c2CCCc2oc1C(C)C	PC-id_83610281,MCULE-4532941517	235.365	VBPDVHSMLAMQCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022993
o1c2c(CCC2)c(c1C(C)C)CNCC(C)C	PC-id_83610282	235.365	GKWDGQFZPGUJBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022994
o1c2c(CCC2)c(c1C(C)C)CNC(CC)C	PC-id_83610283	235.365	KATSSYZMHHOTEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022995
o1c2c(CCC2)c(c1CCC)CNCCCC	PC-id_83610353	235.365	HNTZLRCTQFRAKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022996
o1c2c(CCC2)c(c1CCC)CNC(CC)C	PC-id_83610355	235.365	NMLIOHSEYYWJBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-022998
CC1CCc2c1c(CN)nn2CCC(C)(C)C	MCULE-3745216707,EMOLS-id_331015674	235.368	UWDYEAMWCZLJDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-022999
CC1CCc2nn(CCC(C)(C)C)c(CN)c12	MCULE-5298574740,EMOLS-id_330998714	235.368	YGDNZJKTMKCCDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023000
CCC1CCc2c1nc([nH]2)C(CC(C)(C)C)N	PC-id_102970663	235.368	XJKZHSZHAOKQBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023001
CCC(CC)Cn1nc2CCC(C)c2c1CN	EMOLS-id_330999738,MCULE-4880826458	235.368	DBZMTALRCGYDIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023002
CCC(CC)Cn1nc(CN)c2C(C)CCc12	EMOLS-id_331016698,MCULE-5166958093	235.368	RLZZMOATEFIZGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023003
CC(n1nc2CCC(C)c2c1CN)C(C)(C)C	EMOLS-id_331001018,MCULE-9377535040	235.368	DEJQVSNUOVFPBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023004
CC(n1nc(CN)c2C(C)CCc12)C(C)(C)C	MCULE-7306752799,EMOLS-id_331018234	235.368	CCOWXQBPLQLFAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023005
NC(c1sc2c(c1)CCC2)c1ccsc1	PC-id_104988291	235.368	WTLYXGFLAWJGRO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-023006
s1c2c(CCC2)cc1C(N)c1sccc1	PC-id_43464002	235.368	VBJQZADSMSZTNP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-023007
C1CCC(C1)CNCc1sc2c(c1)CCC2	EMOLS-id_38245248,PC-id_61343371	235.388	AXPDOWNTVCXFCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023008
C1CCC(CC1)NCc1sc2c(c1)CCC2	EMOLS-id_37993812,PC-id_60985214	235.388	GSGWPFWZKIFCFU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023009
CC1CC1CNC(c1sc2c(c1)CCC2)C	PC-id_115712995	235.388	ZXLMRSXMBJADRN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023010
CC1CC(C1)NC(c1sc2c(c1)CCC2)C	PC-id_115892389	235.388	PWOYXYUYAAZBME-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023011
CC1CC(c2c1c(CNC1CC1)cs2)(C)C	PC-id_106664694	235.388	HZOKTVONGNIYDT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023012
Cc1csc2c1C(CC2)CN1CCCCC1	SCHEMBL14903706,PC-id_53239193	235.388	HFSALTGCZRPDDS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023013
CC(C1CC1)NC(c1sc2c(c1)CCC2)C	PC-id_115707521	235.388	RWIVXZADMCWILH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023014
CC(C1CCNCC1)c1cc2CCCc2s1	MCULE-6772621818,EMOLS-id_313988551	235.388	KVMHTDQUWARPIJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023015
CC(c1sc2c(c1)CCC2)NC1CCCC1	PC-id_115704958	235.388	XKRQILRRNYEZHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023016
CC(c1sc2c(c1)CCC2)NC1(C)CCC1	PC-id_115929699	235.388	GCNUYZPSYQMPNE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023017
CC(c1sc2c(c1)CCC2)NCC1CCC1	PC-id_115713278	235.388	WOTUPLGJXFAOIK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023018
CC(c1sc2c(c1)CCC2)NCCC1CC1	PC-id_115892077	235.388	NADGNEBJPAVMLF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023019
CC(CC1CC1)NCc1sc2c(c1)CCC2	PC-id_115717104	235.388	LUKDAAHTGZXUHL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023020
C=CCCC(c1sc2c(c1)CCC2)NCC	PC-id_104987757	235.388	NFSKPPWLHTXGMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023021
C=CCCCC(c1sc2c(c1)CCC2)NC	PC-id_104986632	235.388	NFYUGMGDZJGNOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023022
CCC(=C)CC(c1sc2c(c1)CCC2)NC	PC-id_105005682	235.388	VFZVSRZKWDPVDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023023
C=CCCC(NCc1sc2c(c1)CCC2)C	PC-id_104582273,EMOLS-id_315838891	235.388	FXWVVVHQTNYLGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023024
C/C=C/CCNC(c1sc2c(c1)CCC2)C	PC-id_115890133	235.388	GATCGMKSRAWURU-ONEGZZNKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023025
C=CCC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115890390	235.388	DSXMXSQIPFGVMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023026
CCCNC(c1sc2c(c1)CCC2)C1CC1	PC-id_104994145	235.388	LWJQHMSPLBHZPJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023027
CCCNC(c1sc2c(c1)CCC2)C(=C)C	PC-id_105005213	235.388	CPWOIUUORGZGTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023028
CCCNC(c1sc2c(c1)CCC2)CC=C	PC-id_115814194	235.388	AGHOIEUBJWMWFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023029
CCNC(c1sc2c(c1)CCC2)C1CCC1	PC-id_105049617	235.388	XFZDKZRWBWXLTF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023030
CCNC(c1sc2c(c1)CCC2)CC1CC1	PC-id_104986575	235.388	GQGQPXQCQGBTQO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023031
CCNC(c1sc2c(c1)CCC2)CC(=C)C	PC-id_105004326	235.388	SSIXPPYXCWVONT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023032
CCNC(c1sc2c(c1)CCC2)C=C(C)C	PC-id_105004959	235.388	DTYYPLHZWWJGAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023033
CNC(c1sc2c(c1)CCC2)C1CCCC1	PC-id_115778348	235.388	LLRQDXJECBQSEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023034
CNC(c1sc2c(c1)CCC2)CC1CCC1	PC-id_115863355	235.388	FODHKQIMGDEYBE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023035
CNC(c1sc2c(c1)CCC2)CCC1CC1	PC-id_104994714	235.388	XSAKGLCGQSKTFI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023036
CNC(c1sc2c(c1)CCC2)CCC(=C)C	PC-id_105039184	235.388	UPAOCGNMZNSNSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023037
NC(c1sc2c(c1)CCC2)C1CCCCC1	PC-id_114980940	235.388	RGDHILVRAJCQTL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023038
NC(c1sc2c(c1)CCC2)CC1CCCC1	PC-id_115847179	235.388	RWLIWQZTYVWAAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023039
s1c(CNC2CC(CC2)C)cc2c1CCC2	PC-id_64501339	235.388	BPIJOKDCVQDUPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023040
s1c(CNC2C(CCC2)C)cc2c1CCC2	PC-id_65045478	235.388	RACBWKKKUBYLKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023041
s1c(CNC(C2(CC2)C)C)cc2c1CCC2	PC-id_61206649	235.388	WRNLEYUVVOANFN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023042
s1c(CNC(C2CC2)CC)cc2c1CCC2	PC-id_64919280	235.388	WTOJXGQGQOTCAL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023043
N#CC1Sc2c(S1)sc(=S)s2	SCHEMBL6708169,PC-id_19694490	235.393	ZCFUBLSAFQMYKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023044
c1(CCl)c2CCCn2nc1Br	EMOLS-id_317769595,MCULE-9587447540	235.509	OGXNZFGKIAWGOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023045
ClCc1nn2CCCc2c1Br	EMOLS-id_324139318	235.509	UGRILCRXMCYKRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023046
Clc1nc2S(=O)(=O)CCn2c1C(=O)[O-]	PC-id_31013190,GD-id_ZINC01104916	235.625	AYYLYXGIEOWZKO-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-023047
Clc1nc2S(=O)(=O)CCn2c1C(=O)N	GD-id_ZINC15230587,PC-id_3856634	235.648	AAZVJDQXOSRMGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023048
CC1CCc2c(CS(=O)(=O)Cl)noc12	MCULE-6761358916,EMOLS-id_259607981	235.688	FGTRBQMIWPUTFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023049
ClCCS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_107579781,MCULE-6870711505	235.691	AGOINWPTNVVVJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023050
[Te]1c2c(C=C1)csc2	PC-id_15339449	235.761	JQHXANCHPGLOGX-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-023051
[Te]1c2c(scc2)C=C1	PC-id_15339597	235.761	SRTOOHMATOBDMR-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-023052
[Te]1c2sccc2C=C1	PC-id_15339441	235.761	YWIYCLKDALWJKW-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-023053
[Te]1C=c2c(=C1)scc2	PC-id_85753124	235.761	MEUVZCYTPZAWJM-UHFFFAOYSA-N	00000000100000000000000010000000000000000000000000000000	25-01-023054
C1C2=CSC=C2C(=CC3=CC=CS3)S1	PC-id_153870084	235.979	SWXMHFLRKGMLFK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-023055
Ic1cnn2c1OCC2	PC-id_145710638	236.01	XDKIFGZASVTYFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023056
Ic1n[nH]c2COCc12	EMOLS-id_329965528	236.01	VDSBAUZMBMAFID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023057
C1c2c(n(nc2CO1)CC(=O)O)C(F)(F)F	PC-id_163887765	236.041	PYXADAPCPYDKNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023058
CC1CC2=C(C1=O)C=C(N2C(=O)[O-])C(=O)OC	PC-id_154189865	236.056	RROFUUZMUXAEMD-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-023059
FC(c1cc(n2c1CCC2)Br)F	MCULE-7899112680	236.057	MDRRLJXIHYGFGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023060
Clc1c2N=C(Cc2sc1Cl)C(=O)O	PC-id_68598030,SCHEMBL3328627	236.075	OOKDJWLWAKTDPB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-023061
OC(=O)C1=Nc2c(C1)c(c(s2)Cl)Cl	PC-id_142669831	236.075	RSPDCOPIYNEMMC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-023062
Brc1[nH]c2CS(=O)(=O)Cc2c1	PC-id_84797983	236.086	JSWSWYBTKWMAKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023063
Brc1[nH]cc2c1CCS2(=O)=O	MCULE-7850530140,PC-id_45792641,EMOLS-id_31421724	236.086	WZSIIXCAFHZYQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023064
OCS1C(=Nc2n1cnc2)Br	SCHEMBL20744008	236.09	RKIWKACSQNFRAW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023065
CNC(=O)CCN(C=O)C1CC2=CC=NN2C1	PC-id_153623146	236.127	NTUUDQBXDKIFTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023066
C[Si](C)(C)CCOCC1C=NC2=CC=CN12	PC-id_154462160	236.134	OUVZBVGOJFNWFX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023067
c1(C(F)(F)F)nn(c2COCc12)CC(=O)O	EMOLS-id_317870578,MCULE-5449591733	236.148	MOONKSLXFFDXBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023068
CN(c1c2c(c[nH]1)OCO2)C(=O)C(F)(F)F	PC-id_87375048,SCHEMBL2346752	236.148	KHZQJXBDFHXCHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023069
FC(F)(F)CN1Cc2c(onc2C(=O)O)C1	PC-id_83919047	236.148	SPKFFZKBBCSXKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023070
c12n(CCN1CC(F)(F)F)ncc2N(=O)=O	MCULE-2778552907,EMOLS-id_317864959	236.151	IUPCHMCDMGLGFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023071
O=CCn1nc(c2c1C(F)(F)CC2)C(F)F	PC-id_144693658	236.166	GTZWVDOEVCZQQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023072
O=C1n2c(C(=O)N1CC(=O)O)cc(c2)C(=O)C	PC-id_85682532	236.181	MJUXPRDSCWGTSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023073
c12CC(Cc1nn(CCO)c2O)C(F)(F)F	EMOLS-id_320435474,MCULE-7705371699	236.191	WFKYLUKEYFOLKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023074
c12C(CCc1nn(CCO)c2O)C(F)(F)F	MCULE-7462915686,EMOLS-id_320436754	236.191	FPXQRWHCZYGPHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023075
CCn1nc(c2c1C(F)(F)C(C2)C)C(F)F	PC-id_144505310	236.209	TZOXDSXEUMQWOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023076
CCn1nc(c2c1C(F)(F)C[C@@H]2C)C(F)F	PC-id_144693783	236.209	IFSTYYONZNNARN-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023077
FC(c1nn(c2c1CC(C2)(F)F)C(C)C)F	SCHEMBL18852452	236.209	QWFOLSKYHNVLEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023078
OC(=O)c1c2CCCc2sc1C(F)(F)F	EMOLS-id_324737608	236.211	ABTRUOXXQNATGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023079
s1c(c2CCCc2c1C(=O)O)C(F)(F)F	PC-id_82620862	236.211	UWYVIGHRXFLBCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023080
c1(sc2c(CCC2)n1)NC(=O)C(F)(F)F	MCULE-4176948870,EMOLS-id_39112174,PC-id_62492179	236.214	WPFYSGGOVYZTCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023081
FC(F)(F)Cn1nc2CSCc2c1C=O	MCULE-9997647393,EMOLS-id_324396892	236.214	FWOXNBIYKCFUBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023082
CC(C)(C)OC(=O)N1c2c(C(=O)C1=O)[nH]cc2	PC-id_90407407,SCHEMBL16033887	236.224	KYWCZDGGWQZPBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023083
CCOC(=O)c1nc(n2c1C=CC2)C(=O)OC	PC-id_101058758	236.224	KOCDJYNXVRIDGP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023084
o1nc2CCCc2c1NC(=O)C1=COCCO1	PC-id_16942358	236.224	DXCRWURINHQKCP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-023085
O=C1n2c(c(cc2C)C)C(=O)N1CCC(=O)O	PC-id_83680804	236.224	UVFXYWYWWYNDOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023086
O=C1CN(CN1C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99600531	236.227	QQIJMXYCNQYCAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023087
O=C(N1CCn2c1ncc2)CN1CCOC1=O	EMOLS-id_258164338,MCULE-1957845427	236.227	IENKPWHFIODHKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023088
O(C(=O)C1=C(/C(=C(/[O-])C)/[n+]2nn(nc12)C)C)C	PC-id_54699366	236.227	YDHOSAAVYUWRAR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023089
s1c2=NC(C(C)C)C=[n+]2nc1C(F)(F)F	PC-id_59050188	236.237	YSCBTHDGRBFDLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023090
S1(=O)(=O)c2c(nn(c2)C(C)C)CC1(F)F	PC-id_59050159	236.239	XFHSOAYMYBAHIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023091
C(=O)(Nc1sc2CCCc2c1C#N)C(=O)O	EMOLS-id_328047068,MCULE-3592045943	236.247	LSTCNTLSJUBMLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023092
O=C(c1ccco1)Nc1onc2c1CSC2	GD-id_ZINC44451144,PC-id_49720092	236.247	NAWREJPXKPUIOF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-023093
O=C(c1ccco1)Nc1nnc2n1CCS2	CHEMBL1351299,CoCoCo_2590543,PC-id_22582983	236.25	VYUHKDGEZATTDM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-023094
O=C(c1[nH]nnn1)Nc1sc2c(n1)CCC2	PC-id_80373206,EMOLS-id_315446796	236.254	OBWDSTMKCBBEMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023095
OC(Cc1cc2CCCc2s1)C(F)(F)F	MCULE-7755600073,EMOLS-id_313985090	236.254	QOTMJGOFRXSBEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023096
O=C(N1CCn2c1ncc2)Nc1cnns1	EMOLS-id_316729509	236.254	CBBYGXZLJRGSPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023097
CC(C)n1c2c(CSC2)c(n1)C(F)(F)F	PC-id_90162760,SCHEMBL15724383	236.257	YSJICRXBYKTMEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023098
CC(C)n1c(c2CSCc2n1)C(F)(F)F	SCHEMBL15723718,PC-id_90162132	236.257	TYQGBKAVNBOIOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023099
c1(C(=O)OCC)c2COCc2nn1CC1CC1	EMOLS-id_324402006,MCULE-3865776445	236.267	SFMPEUKSWAHAPL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023100
c1(N(CCC(=O)O)C2CC2)oc2c(CCC2)n1	MCULE-9826812959	236.267	VKXLTPYAWBWLMQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023101
C=CC1c2c(n(c(c2C(O1)C=C)O)CCN)O	PC-id_91043516	236.267	MZTLIHHNEUVVQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023102
CCOC(=O)Cn1nc2CCC(C)c2c1C=O	MCULE-3368281566,EMOLS-id_330989501	236.267	TVHYIZYXHFJTHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023103
CCOC(=O)Cn1nc(C=O)c2C(C)CCc12	MCULE-5527526774,EMOLS-id_331004413	236.267	DAOYPHPLLYNOEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023104
o1c2NN(C(c2c(c1/C=C/C(=O)O)C)(C)C)C	PC-id_67884929,SCHEMBL9592942	236.267	HLPHFXOKMSIEBM-AATRIKPKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023105
o1c2NN(C(c2c(c1C=CC(=O)O)C)(C)C)C	PC-id_77376591	236.267	HLPHFXOKMSIEBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023106
OC(=O)Cc1cn2c(c1C(=O)C(C)C)NCC2	PC-id_96594869	236.267	NIZUVAPUIBXHRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023107
N#CC1CCn2c1ccc2C(=O)c1ccccc1	PC-id_21257456,SCHEMBL7905025	236.269	LZRVLJBQUKQTMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023108
NS(=O)(=O)c1c2CCS(=O)(=O)c2c[nH]1	EMOLS-id_50500912,MCULE-4132544328,PC-id_100613330,ZINC22_225391689	236.269	ALCFDPWLPVWBCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023109
c1(CN(C)C(=O)CC(=O)C)nnc2CCCn12	PC-id_60950313,MCULE-9859660822,EMOLS-id_37967635	236.27	CFDSRVIZCISQGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023110
c1(cnn2CCOc12)C(=O)N1CCNCCC1	MCULE-2157589318,EMOLS-id_110061170	236.27	NUTYZUIEVOSMKP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-023111
c1(C(=O)NCCCNC=O)c2CCCc2[nH]n1	EMOLS-id_334932455,MCULE-1221112933	236.27	PNTPOEOGXGESJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023112
c1(C(=O)NCCNC(=O)C)c2CCCc2[nH]n1	EMOLS-id_180404686,PC-id_110678726,MCULE-6752731336	236.27	ICEFHIDFVBOOIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023113
CCCCCCC1=Nn2c(C1)nnc2C(=O)O	SCHEMBL13931163,PC-id_57578084	236.27	JCUXRJNTACEJGR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023114
CCn1c(nc2c1CN(C2)O)C(=O)NC1CC1	PC-id_118613842,SCHEMBL17380098	236.27	CPKWTFKJAWZHGR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023115
CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C	SCHEMBL19312131	236.27	AFPIYTWQGLLISM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023116
CN1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959856	236.27	ZAEFXFCAKDRXTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023117
CN1CCOC(C1)C(=O)N1CCn2c1ncc2	EMOLS-id_319426755	236.27	WJZGBZHUCWIISK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023118
Cn1nc(C(=O)N2CCOCC2)c2c1CNC2	ZINC22_306140845,EMOLS-id_48476523	236.27	VFHGNDLVRBCTCC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023119
CO[C@H]1CCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318841650	236.27	KKWRHUNXDGWQMP-BYDSUWOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023120
CO[C@@H]1CCN(C1)C(=O)C1NCc2c1c[nH]n2	MCULE-4060715502,EMOLS-id_320162252	236.27	KKWRHUNXDGWQMP-PVSHWOEXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023121
O1C(CCC1)C(=O)NCc1n2CCCc2nn1	MCULE-2200878119,EMOLS-id_35688530,PC-id_53502962	236.27	KCGXIAURPJFIGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023122
O=C(c1nc2c(n1C)CNC2)N1CCOCC1	SCHEMBL17380239,PC-id_118613979	236.27	BOHPJPHIHSZCKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023123
O=C(C1NCc2c1c[nH]n2)N(C1COCC1)C	EMOLS-id_319968409,MCULE-6300087284	236.27	FIYPRDPVTVNTMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023124
O=C(C1NCc2c1c[nH]n2)NCC1CCCO1	EMOLS-id_319784696	236.27	XKEYQGWPYGNQLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023125
O=C(C(C)C)Nc1[nH]nc2c1CN(C2)C(=O)C	SCHEMBL2913586,PC-id_68438813	236.27	HWIYDCAIERRRRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023126
O[C@@H]1CNC[C@@H]1NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319459930	236.27	KVXJKFVHPPVSKS-IONNQARKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023127
O[C@@H]1CNC[C@@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_319038377	236.27	BDMCNSVPVUBVRO-WCBMZHEXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023128
O=C(N1Cc2c(C1)cnn2C)N1CCOCC1	MCULE-9921915692,EMOLS-id_316409610	236.27	DNTIVLFRUUEWFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023129
O=C(N1CCn2c1ncc2)CN1CCOCC1	EMOLS-id_258164377,MCULE-6800236396	236.27	RJNYLHZMIXEGGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023130
O=C(Nc1n(C)nc2c1CCC2)CCC(=O)N	MCULE-1846222866,EMOLS-id_258067810	236.27	YZVBICIUNSQJRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023131
O=C(NC(c1n2CCCc2nn1)C)CC(=O)C	PC-id_61248276,EMOLS-id_38162883	236.27	HGQAGISFFQBGNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023132
O=C(NCc1nnc2n1CCC2)[C@@H]1CCCO1	PC-id_94555435,ZINC22_54536183	236.27	KCGXIAURPJFIGY-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023133
O=C(NCc1nnc2n1CCC2)[C@H]1CCCO1	ZINC22_54536184,PC-id_94555436	236.27	KCGXIAURPJFIGY-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023134
O=C(N(CC(=O)NC)C)c1n[nH]c2c1CCC2	PC-id_78881293	236.27	SJGUTXPTDYHWHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023135
O=C(NCC(=O)NCC)c1n[nH]c2CCCc12	PC-id_78881566	236.27	VFGRBYAWUZFRFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023136
ON1Cc2c(C1)nc(n2C)C(=O)N1CCCC1	SCHEMBL17380130,PC-id_118613874	236.27	LKQPNCWODYWKDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023137
n12CCC(=NNc3cc(ccc3)C#N)c1ccc2	PC-id_72056821,EMOLS-id_36627418,MCULE-6307714451	236.272	DDLLKPLNQKAJNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023138
N#Cc1cccc(c1)N/N=C/1CCn2c1ccc2	PC-id_95351532	236.272	DDLLKPLNQKAJNM-GHRIWEEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-023139
N#Cc1cccc(N/N=C/CCn3cccc23)c1	PC-id_53536223,ZINC22_70015498	236.272	DDLLKPLNQKAJNM-LGMDPLHJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023140
CCn1c(nc2c1CN(C2)O)C(=N)N=C(N)C	PC-id_144979544	236.274	VCXORSISAORCGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023141
N=CN(C(=N)c1nc2c(n1CC)CN(C2)O)C	PC-id_144979309	236.274	WWDBPBRLHHGXFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023142
NC=NC(=NC)c1nc2c(n1CC)CN(C2)O	PC-id_144979184	236.274	YVTCFKNWJHVAHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023143
ON1Cc2c(C1)nc(n2C)C(=N)N(C(=N)C)C	PC-id_144979518	236.274	HKDGLTOQLNEDOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023144
CCCC(=O)C(=O)C1Cc2c(C1=O)scc2	PC-id_117640831,SCHEMBL16161295	236.287	SQFPEBRZDWSNKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023145
c1(C#N)c(N)sc2CCC(C(=O)OCC)c12	MCULE-7983123024,ChEMBL-DNDi_CHEMBL1364549,CK2076408,CHEMBL1364549,BAS-06671004,PC-id_2814594,EMOLS-id_1484224	236.29	RYXYACUFYJOZQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023146
c1(NC(=O)C=C)sc2c(CCC2)c1C(=O)N	EMOLS-id_37754564,PC-id_43616621,MCULE-1120812293	236.29	JZVKYWPXXCMELP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023147
c1(NC(=O)OCC)sc2c(CCC2)c1C#N	MCULE-9947410168,CoCoCo_5836493,EMOLS-id_5129682,ZINC22_5672646,TIMTEC308357,PC-id_4519058	236.29	MHRJJTWJKOTRNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023148
CCOC(=O)C1CCc2c1nc(s2)CC#N	PC-id_104287172	236.29	UMIAOECSKDNDPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023149
CCOC(=O)[C@@H]1CCc2sc(N)c(C#N)c12	ZINC22_4197944,CoCoCo_352815,PC-id_7127115	236.29	RYXYACUFYJOZQH-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023150
CCOC(=O)[C@H]1CCc2sc(N)c(C#N)c12	ZINC22_4197945,PC-id_7127116,CoCoCo_352816	236.29	RYXYACUFYJOZQH-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-023151
CC(O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328048831,MCULE-5797372297	236.29	BCEZMYOKDMCHED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023152
COCC(=O)Nc1c(C#N)c2c(CCC2)s1	MCULE-2806335963,PC-id_60718422,EMOLS-id_314398505	236.29	HFJZAKFXFFBTRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023153
COC(=O)C1(C)CCc2sc(N)c(C#N)c12	EMOLS-id_337899563	236.29	QJNIDODMXWCOJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023154
N#CC1Cn2c(S1)c(cc2)C(=O)OC(C)C	PC-id_139944683	236.29	ZCBDYBKTYKDWDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023155
N#CC(c1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_103097345	236.29	BWYONNMREPQFHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023156
s1c2c(CCC2)c(c1NCCC(=O)O)C#N	PC-id_82310364	236.29	HAZBUVOCMIXOJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023157
c1(C(=O)NCCN=N#N)cc2c(CCC2)s1	MCULE-9097516536,EMOLS-id_50767248,PC-id_61343051	236.293	MUWFVJABYCAUEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023158
c1csc(COCc2n[nH]c3c2CNC3)n1	ZINC22_101186775,EMOLS-id_50370004	236.293	NTTONTASJZYIJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023159
Cc1nnc(o1)NCc1sc2c(n1)CCC2	PC-id_115924720	236.293	JZMDQCSLWHXHMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023160
Cc1noc(n1)NCc1sc2c(n1)CCC2	PC-id_115924825	236.293	ZNGAOGZMZNVFTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023161
n12ncnc1sc(=CN1CCCCC1)c2=O	MCULE-8442556528	236.293	XJROYAZWTAJNQW-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-023162
O=c1/c(=C/N2CCCCC2)/sc2ncnn12	ZINC22_256055878,PC-id_117588316	236.293	XJROYAZWTAJNQW-VURMDHGXSA-N	00000000100010000001000010000000000000000000000000000000	25-01-023163
o1c2c(c(c1C(C)C)CC(C)C(=O)O)CCC2	PC-id_84699464	236.307	DNBUBZTWYOAPHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023164
o1c2c(c(C(CC(=O)O)C)c1C(C)C)CCC2	PC-id_84699463	236.307	GDHSEZZUVXHVGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023165
o1c(C(C)(C)C)c(c2c1CCC2)CCC(=O)O	PC-id_83610536	236.307	QLBHHOOGMVFICK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023166
c12CCC(C(C(=O)O)C)c1c(C(C)C)n(C)n2	MCULE-9466292923	236.31	MXFZWWWLRPETSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023167
c1(C(=O)O)c2C(C)CCc2n(C(CC)CC)n1	EMOLS-id_330988283,MCULE-6534271057	236.31	GXKWIAKVNLASRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023168
c1(C(=O)O)c2C(C)CCc2n(C(C)C(C)C)n1	MCULE-1958827200,EMOLS-id_330988027	236.31	KDAOJMIRHMAAIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023169
c1(C(=O)O)c2C(C)CCc2n(CC(C)(C)C)n1	MCULE-2662340515,EMOLS-id_330987771	236.31	RKWOTARVKOWWRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023170
c1(C(=O)O)c2C(C)CCc2n(CCC(C)C)n1	MCULE-4649683320,EMOLS-id_330985722	236.31	PRWMEUYPPXDIRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023171
c1(C(=O)O)c2C(C)CCc2nn1CCC(C)C	EMOLS-id_330970043,MCULE-7366349458	236.31	UQOITUCNUJLQFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023172
c1(C(=O)O)c2C(C)CCc2nn1CC(C)(C)C	EMOLS-id_330972092,MCULE-4979948169	236.31	XBTKXQBEDDYQBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023173
c1(C(=O)O)c2C(C)CCc2nn1C(C)C(C)C	EMOLS-id_330973106,MCULE-5167127490	236.31	WBRKPAHNIREITQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023174
c1(C(=O)O)c2C(C)CCc2nn1C(CC)CC	MCULE-4855280800,EMOLS-id_330972348	236.31	KLCACZRPODRBBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023175
c1(C(=O)OC)c2C(C)CCc2n(CC(C)C)n1	EMOLS-id_330992383,MCULE-8929634262	236.31	RKWAZPXQDROICQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023176
c1(C(=O)OC)c2C(C)CCc2n(C(C)CC)n1	MCULE-7982826530,EMOLS-id_330994162	236.31	TZDPMYFGESEEID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023177
c1(C(=O)OC)c2C(C)CCc2n(C(C)(C)C)n1	MCULE-8092889717,EMOLS-id_330995697	236.31	WYOJXPBYAVDHSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023178
c1(C(=O)OC)c2C(C)CCc2nn1C(C)(C)C	EMOLS-id_330978738,MCULE-1560737184	236.31	YURAMZXRZMQLNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023179
c1(C(=O)OC)c2C(C)CCc2nn1C(C)CC	MCULE-1039975078,EMOLS-id_330977208	236.31	MYEFHUWHDICZCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023180
c1(C(=O)OC)c2C(C)CCc2nn1CC(C)C	MCULE-5232326750,EMOLS-id_330979504	236.31	YZAFRPXLLVGUIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023181
c1(C(=O)OCC)c2CCCc2n(CC(C)C)n1	MCULE-7894587295,EMOLS-id_324388434	236.31	OJHUEMIJSMZBMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023182
c1(C(=O)OCC)c2CCCc2nn1CC(C)C	EMOLS-id_324388444,MCULE-3815692960	236.31	HKSNFGWWONXJHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023183
c1(C(=O)OCC)c2C(C)CCc2n(C(C)C)n1	MCULE-5095180303,EMOLS-id_330998774	236.31	AYVYSUMHRUVUBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023184
c1(C(=O)OCC)c2C(C)CCc2n(CCC)n1	MCULE-5359095370,EMOLS-id_331000310	236.31	WLLJZAIPGZHNON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023185
c1(C(=O)OCC)c2C(C)CCc2nn1CCC	EMOLS-id_330982327,MCULE-5230860789	236.31	VNGJFWOBZOYUSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023186
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C	MCULE-7832184800,EMOLS-id_330984886	236.31	NCSWFBKRSUZYOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023187
CC1(C)OC(c2c1c(CNC1CC1)no2)(C)C	PC-id_80462223,EMOLS-id_314503164	236.31	OAOXFIUWUFVZDQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023188
CC(C1CCOC1)n1nc2CCC(C)c2c1O	EMOLS-id_331008677,MCULE-1603204206	236.31	ISBNYFOVMHKVFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023189
CCc1n2CC(Cc2nc1C(C)(C)C)C(=O)O	PC-id_112482646	236.31	YLBLNHVHDWGJAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023190
CC(CCc1c(CC(=O)O)cn2c1NCC2)C	PC-id_98771575	236.31	UVWYXFJNOQVEFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023191
CCOC(=O)c1n(CC)nc2c1CCC2(C)C	SCHEMBL5906553,PC-id_69602540	236.31	ZGGRXQFNGFFDAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023192
CCOC(=O)c1nn(c2c1CCC2(C)C)CC	SCHEMBL5906554,PC-id_69602541	236.31	XHISLVKZBSGDJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023193
n1c(CCC(=O)O)n2c(CCC2)c1CC(C)C	MCULE-2910726798,PC-id_84147316	236.31	MHHQDKRTCTZWKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023194
o1c(nc2c1CCC2)C(O)CC1CCNCC1	PC-id_84736604	236.31	YAZCJOBKSNGBKQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023195
OC(=O)C1c2nc(n(c2CC1)C)C(CC)CC	PC-id_84011004	236.31	BMJROCBCKUIBCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023196
OC(=O)C1Cn2c(C1)nc(c2C(C)C)C(C)C	PC-id_112482647	236.31	LHTWQZWRRMNZCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023197
OC(=O)Cc1c2c([nH]c1C(C)(C)C)CN(C2)C	PC-id_84798209	236.31	UMMDMXKCLCQFSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023198
OC(=O)CC1c2c(n(nc2C(C)(C)C)C)CC1	PC-id_83861569	236.31	GIAPAINUFYYHGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023199
OC(=O)CC1(CCc2c1cn(c2)C(C)C)CN	PC-id_83912146	236.31	GTWWWKXSIQVXJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023200
OC(=O)Cc1cn2c(c1CC(C)(C)C)NCC2	PC-id_98771576	236.31	GZWIUTLJKLCXAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023201
OC(=O)CCc1n2c(CCC2)c(n1)C(C)(C)C	PC-id_84147317	236.31	JWUHUGWIPBGLBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023202
OC(=O)CCC(c1c2c([nH]c1C)CCC2)CN	PC-id_84798215	236.31	DCKWCKBGKXGEJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023203
c1(CNC(=O)NCCC)c2CCCc2nn1C	PC-id_91819416,EMOLS-id_53884701,MCULE-6136023779,ZINC22_225818841	236.313	MDPUXZYWBDWDEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023204
c1(C(=O)N)c2C(C)CCc2n(CCN(C)C)n1	EMOLS-id_331039491,MCULE-2783381562	236.313	GKSKEDMQOOXOEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023205
c1(C(=O)N)c2C(C)CCc2nn1CCN(C)C	EMOLS-id_330957250,MCULE-6884378517	236.313	OMVDJDPWNPOYDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023206
c1(C(=O)NCC)c2CNCc2nn1CC(C)C	EMOLS-id_324355168,MCULE-2505053721	236.313	LQBJGUKIKUSRMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023207
c1(C(=O)NCCCN(C)C)c2CCCc2[nH]n1	PC-id_110388815,EMOLS-id_179744524,MCULE-2701205792	236.313	BUDZEJSYWLROKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023208
c1(C(=O)NCCCN(C)C)cn2c(CCC2)n1	MCULE-8044250745,EMOLS-id_321297363	236.313	MUEYOAHXVXYOMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023209
c1(C(=O)NCCN(C)C)c2CCCc2n(C)n1	EMOLS-id_179745034,PC-id_110388989,MCULE-9890839996	236.313	VDIPYZQQHDVDBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023210
CC1(C)OCCC1NCc1nnc2n1CCC2	EMOLS-id_98145231	236.313	BHAGLGKQRYSBAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023211
CC1NCc2c1cn(n2)CCN1CCOCC1	PC-id_112482626	236.313	ABDZRWKGMJNINF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023212
Cc1n(CCN2CCOCC2)nc2c1CNC2	PC-id_96594465	236.313	GJTATIOHZOTVSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023213
Cc1nnc2CC(CNC3CCOCC3)Cn12	EMOLS-id_317458853,PC-id_137335489,MCULE-6465077155	236.313	ZXAGTDQPTDBNCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023214
Cc1nnc2n1C[C@H](CNC1CCOCC1)C2	ZINC22_1772711541	236.313	ZXAGTDQPTDBNCO-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-023215
Cc1nnc2n1C[C@@H](CNC1CCOCC1)C2	ZINC22_1772711547	236.313	ZXAGTDQPTDBNCO-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023216
CC(c1nnc2n1CCC2)NCC1(C)COC1	PC-id_107235262	236.313	UQQINTRZJLFLIA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023217
CC(C)(C)CC(=O)NCc1nnc2n1CCC2	EMOLS-id_33302831,ZINC22_42648714,MCULE-9094854426,PC-id_51076050	236.313	JFULQKOWLFIAOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023218
CCCC(C(=O)Nc1n(C)nc2c1CCC2)N	MCULE-2346433422,EMOLS-id_301474562,PC-id_119345963	236.313	FDGFVVJLYVHMJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023219
CCC(C)N1Cc2[nH]nc(C(=O)N(C)C)c2C1	EMOLS-id_44325289	236.313	PACWFAYQRNNDBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023220
CCCCN(C(=O)C1NCc2c1c[nH]n2)CC	EMOLS-id_319269819	236.313	FSEBPUGZSQXBGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023221
CCC(CNC(=O)C1NCc2c1c[nH]n2)CC	EMOLS-id_319348546	236.313	DPLSWYWERLBCJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023222
CC(C(C(=O)Nc1n(C)nc2c1CCC2)C)N	EMOLS-id_302377537,MCULE-6832449737,PC-id_120502397	236.313	WANBOPDFFXSVEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023223
CC[C@@H](C)N1Cc2[nH]nc(C(=O)N(C)C)c2C1	PC-id_97461965,ZINC22_96187507	236.313	PACWFAYQRNNDBF-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023224
CC[C@H](C)N1Cc2[nH]nc(C(=O)N(C)C)c2C1	ZINC22_96187508,PC-id_97461966	236.313	PACWFAYQRNNDBF-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023225
CCCNCCNC(=O)c1n[nH]c2c1CCC2	PC-id_120038555	236.313	GTLNLMALMGFIGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023226
CCC(N(C(=O)N1Cc2c(C1)cn[nH]2)C)(C)C	EMOLS-id_316414022,MCULE-6037447156	236.313	WBGZJRKQYSICCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023227
CCCN(C(=O)NC1CCn2c1ncc2)CC	EMOLS-id_319381004	236.313	DKOOKFSRLRPNAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023228
CCN(C(=O)C1NCc2c1c[nH]n2)CC(C)C	EMOLS-id_319667340	236.313	PSGXMGVDDAEKSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023229
CC(N(C(=O)NCc1n[nH]c2c1CCC2)C)C	EMOLS-id_319205325	236.313	OLKUFBMSQABFNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023230
Cn1cc(c2c1C(OC1CNCC1)NN2C)C	PC-id_144413297	236.313	ITNYUTAEKASGPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023231
CNCCCC(=O)Nc1n(C)nc2c1CCC2	PC-id_119822832	236.313	PPQRLVVWIXQBEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023232
CNCC(C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_302173064,PC-id_119822850,MCULE-6324711119	236.313	ROBNYALBQZHCGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023233
CN([C@H](C(=O)NC1CC(n2c1ncc2)C)C)C	EMOLS-id_319318951	236.313	HIHLHBHLFKOOKV-KYHHOPLUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023234
CN([C@@H](C(=O)NCc1n[nH]c2c1CCC2)C)C	EMOLS-id_319015174	236.313	QWRDJFRNALPFRR-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023235
CN([C@H](C(=O)NCc1n[nH]c2c1CCC2)C)C	EMOLS-id_320026878,MCULE-1225214161	236.313	QWRDJFRNALPFRR-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023236
CN(C(=O)C1CCc2n1c(nn2)C(C)(C)C)C	PC-id_118740461	236.313	YPEMWVJTUZEMPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023237
COC1CC(C1)NC(c1nnc2n1CCC2)C	PC-id_113506232	236.313	NNIPNGJVADWHFU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023238
N1CCC(CC1)OCCc1nnc2n1CCC2	EMOLS-id_40093221,PC-id_63870752	236.313	GSGXLIAMNCQUHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023239
NCC1CCc2n1cnc2CN1CCOCC1	PC-id_112482622	236.313	SVXYWBVPLACWFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023240
NCC1CCn2c1c(nc2)CN1CCOCC1	PC-id_112482623	236.313	WUCVVWIPIOOSJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023241
O1C(CCC1)CNC(c1n2CCCc2nn1)C	PC-id_82835239	236.313	WNPZDBXVZRDMCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023242
O1CCC(NC(c2n3CCCc3nn2)C)CC1	PC-id_43748052	236.313	NMLLMOKPFSOEET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023243
O1CC(CNC(c2n3CCCc3nn2)C)CC1	PC-id_43748172	236.313	HKGNZDJVIJYVNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023244
O1C(C(NC(c2n3CCCc3nn2)C)CC1)C	PC-id_82726802	236.313	UKBDWJMDDRCXSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023245
O1CC(NC(c2n3CCCc3nn2)C)CCC1	PC-id_64175795	236.313	IUPKYFHCJFJXIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023246
O1CCN(CCc2nn(c3c2CNC3)C)CC1	PC-id_83850888	236.313	UHPGFYZVNCTZEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023247
O1CCN(CCc2n(nc3c2CNC3)C)CC1	PC-id_83850889	236.313	POINTHPJJVWANC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023248
OCC1(CCNC2CC(n3c2ncn3)C)CC1	MCULE-8452540200,EMOLS-id_319996495	236.313	PWHURWFMJZOLOR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023249
O=C(C1NCc2c1c[nH]n2)NCCC(C)(C)C	EMOLS-id_319362870	236.313	TZXGIIMCVNOIGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023250
O=C(C(C)(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_314405364,PC-id_64089210	236.313	WEJXMVBPUQVHCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023251
O[C@@H]1CC[C@H](CC1)NC1CC(n2c1ncn2)C	EMOLS-id_279084121	236.313	OWULTCIBIXYXKR-NEFMJNTKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023252
O=C(N(Cc1n2CCCc2nn1)C)C(C)(C)C	PC-id_60707822	236.313	CIGIQGLYCTXNRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023253
O=C(N(C)C)Cn1ncc2c1CN(C2)C(C)C	SCHEMBL19504462	236.313	UKIGTNXQQWKXCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023254
CCCCN/C(=N/Cc1nnc2n1CCC2)/N	ZINC22_69536553,PC-id_53577892	236.317	QOLFAEAKGCXWTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023255
CC[C@H]1c2[nH]nc(c2CC1(C)C)/C(=N/NN)/N	PC-id_143252500	236.317	FRPZEUSJRKZMEI-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023256
CC(CNC(=NCc1nnc2n1CCC2)N)C	PC-id_111039237	236.317	VZUNEQKBGDEADT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023257
CCC(NC(=NCc1nnc2n1CCC2)N)C	PC-id_119117965	236.317	JBIHEMJBEXMZOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023258
CCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020267	236.317	AHVDPNAFKCXFDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023259
CCN(C(=NCc1nnc2n1CCC2)N)CC	PC-id_119117947	236.317	JMKFEAVXVKRADO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023260
CN(C(=NCc1nnc2n1CCC2)N(C)C)C	PC-id_119117953	236.317	RNVFHZOEOJECPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023261
CN=C(NC(C)C)NCc1nnc2n1CCC2	PC-id_119129782	236.317	CWUNWLZAEMDTHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023262
NC(=NCc1nnc2n1CCC2)NC(C)(C)C	PC-id_119117945	236.317	IAHPNNLAADZPQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023263
CC(c1sc(c2c1C(=O)CC2=O)C(C)C)C	SCHEMBL1690050,PC-id_67122599	236.33	HFTPYHJNVXTRAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023264
OC(c1sc2c(c1)CCC2)C1=CCCCO1	PC-id_102649755	236.33	PMTUFOOXWIRDLP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-023265
O=C(c1sc2c(c1)CCC2)C1CCCOC1	PC-id_107138637	236.33	YNBWBAQXEMNYOL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023266
O=C(c1sc2c(c1)CCC2)C1CCOCC1	PC-id_114971859	236.33	CBDUECQARNDEDD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023267
OC(c1sc2c(c1)CCC2)C1=COCCC1	PC-id_115831402	236.33	DQZNSYMGSPXWBL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-023268
c1(csc2CCCc12)C(=O)N1CCNCC1	MCULE-5607918299,PC-id_82510780	236.333	CGIZUYHCKMKUOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023269
CC1CCCN1C(=O)c1ccn2c1CSC2	SCHEMBL17574564,PC-id_118931399	236.333	JRVCKTDZEPGFBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023270
C/C=C/C(=O)NCCc1nc2CCCc2s1	EMOLS-id_181136731,PC-id_110459735	236.333	UUCLHQXIBXXJTR-DUXPYHPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023271
n1c2CCCc2sc1CCNC(=O)C1CC1	MCULE-1803313366,PC-id_110459818,EMOLS-id_181137024	236.333	ZRTIMJVYWCCZMB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023272
n1c2CCCc2sc1CCNC(=O)C=CC	MCULE-7961171556	236.333	UUCLHQXIBXXJTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023273
n1(CC2CCCC2)nc2c(CSC2)c1C=O	MCULE-6496531460,EMOLS-id_324395612	236.333	DICJQWQPFCEQMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023274
NC1CC1C(=O)NCc1sc2c(c1)CCC2	PC-id_114996499	236.333	MIMKZACKILDWBE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023275
NC1CC(C1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_37742048,PC-id_43595018	236.333	HQVQWARBHWFBQH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023276
Nc1sc2c(c1C(=O)N1CCCC1)CCC2	PC-id_20109775,EMOLS-id_37577442	236.333	ZADCHNGAZJLAAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023277
NCC=CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_314296770	236.333	MDCMQVOZJLPCQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023278
NC/C=C/CNC(=O)c1sc2c(c1)CCC2	PC-id_104461773	236.333	MDCMQVOZJLPCQD-OWOJBTEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023279
N[C@@H]1CCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_81469769,EMOLS-id_301526122,MCULE-4848584627	236.333	WBXGSGLBHKPWMY-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023280
N[C@H]1CCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_81505145,EMOLS-id_301973465,MCULE-4411195439	236.333	WBXGSGLBHKPWMY-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-023281
NNC(c1sc2c(c1)CCC2)C1=CCCO1	PC-id_102654484	236.333	LQCDJVGCFOWJRO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-023282
O=C1CCCCC1Sc1[nH]c2c(n1)CCC2	MCULE-8046280154,PC-id_145894787,EMOLS-id_320352582	236.333	GLLUFEKMHYFTKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023283
O=C1CCCC[C@H]1Sc1nc2c([nH]1)CCC2	ZINC22_336419424	236.333	GLLUFEKMHYFTKE-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023284
O=C1CCCC[C@@H]1Sc1nc2c([nH]1)CCC2	ZINC22_336419425	236.333	GLLUFEKMHYFTKE-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-023285
O=C(C1CNC1)NCc1sc2c(c1)CCC2	PC-id_65964519,EMOLS-id_41584188	236.333	BDFBXMZBOJHBRO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023286
O=C(C1(N)CC1)NCc1sc2c(c1)CCC2	EMOLS-id_41268257,PC-id_65464063	236.333	WMXONXBDFUXDES-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023287
O=C(c1sc2c(c1)CCC2)N1CCNCC1	MCULE-6751818328,PC-id_20114428,EMOLS-id_37378250	236.333	ZKFOMTCZSLKFJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023288
O=C(c1sc2c(c1)CCC2)NC1CCNC1	MCULE-9911983357,PC-id_62379866	236.333	ADOWQSLHWRQGDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023289
O=C(c1sc2c(c1)CCC2)NCC1CNC1	PC-id_120115108	236.333	PORTXCKJKIIWLC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023290
O=C(c1scc2c1CNC2)N1CCCCC1	SCHEMBL9238902,PC-id_15284971	236.333	FVYLSXIHOWCTRL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023291
O=C(N(C1CNC1)C)c1sc2c(c1)CCC2	PC-id_66186382,EMOLS-id_41764139	236.333	WRWUVGVIBIBLQV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023292
O=C(N[C@@H]1CCNC1)c1cc2c(s1)CCC2	ZINC22_52092973,PC-id_79685199	236.333	ADOWQSLHWRQGDR-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023293
O=C(N[C@H]1CCNC1)c1cc2c(s1)CCC2	ZINC22_52092974,PC-id_79689714	236.333	ADOWQSLHWRQGDR-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-023294
s1c2c(CCC2)cc1C(=O)N1CC(N)CC1	PC-id_62068892	236.333	WBXGSGLBHKPWMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023295
s1c2CCCc2cc1C(=O)NN=C(CC)C	PC-id_85015479	236.333	QILIJCHNNUITMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023296
s1c2CCCc2cc1C(=O)N/N=C(CC)/C	PC-id_9462449	236.333	QILIJCHNNUITMH-JYRVWZFOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023297
s1c2c(C(CC2)C)c(C(=O)NC2CC2)c1N	PC-id_65046539	236.333	HUPOYYQNOLJQIW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023298
s1c2CCCc2nc1C(=O)C1CCCNC1	PC-id_84736613	236.333	MMQRQQUSEUEVJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023299
s1c2CCCc2nc1C(=O)C1CCNCC1	PC-id_84736612	236.333	VVXHIEBGUVLWET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023300
s1c2CCCc2nc1C(=O)C1NCCCC1	PC-id_84736611	236.333	VMUHGAZBJMYWHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023301
s1c2CCCc2nc1NC(=O)C1CCCC1	PC-id_26723080	236.333	JJTQFMKMBMDLKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023302
s1c2c(CN(CC3CCNCC3)C2=O)cc1	PC-id_17839301	236.333	SMODRVQKUAIEFZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023303
s1c2c(C(NC(=O)CNC3CC3)CC2)cc1	PC-id_83626209	236.333	UPHQIMCFPKHCCB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023304
CC(/C(=C/1C(=N)Sc2c1nn(c2C)C)/C)N	PC-id_145425178	236.337	BWCPZZQLIHTIBM-DBIHJRTBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023305
Cc1cc2c(s1)C(=C(C2=O)C=C(C)C)S	PC-id_90168905,SCHEMBL15731684	236.353	NRUVCFCPWAGSCS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-023306
CC1CCc2c1c(CO)nn2CCC(C)(C)C	MCULE-5087316132,EMOLS-id_331010548	236.353	FNEVKLDDKXDDGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023307
CC1CC(c2c1onc2CNC(C)(C)C)(C)C	PC-id_113861865	236.353	TZKZBQYVGIUEAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023308
CC1CCc2nn(CCC(C)(C)C)c(CO)c12	MCULE-2851811374,EMOLS-id_330994612	236.353	MSJGOCXWYYTAMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023309
CCC(CC)Cn1nc2CCC(C)c2c1CO	EMOLS-id_330995636,MCULE-9487373406	236.353	JVAZAIQLSKJPCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023310
CCC(CC)Cn1nc(CO)c2C(C)CCc12	MCULE-7050818836,EMOLS-id_331011572	236.353	JBYGNHZIPOLYBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023311
CC(CNCc1noc2c1C(C)(C)CC2C)C	PC-id_106664547	236.353	ZGBIVAPCPMGEQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023312
CC(n1nc2CCC(C)c2c1CO)C(C)(C)C	EMOLS-id_330996916,MCULE-7379376692	236.353	LFTXXIGADZXFCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023313
CC(n1nc(CO)c2C(C)CCc12)C(C)(C)C	EMOLS-id_331013108,MCULE-5475310051	236.353	QFWHSZJFJQALCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023314
O=c1n2CCCn2c(c1C(C)(C)C)C(C)(C)C	SCHEMBL13299247,PC-id_59354749	236.353	AHQYSEMMWQELLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023315
O=c1[nH]n2C(CC(c2c1C(C)(C)C)(C)C)(C)C	PC-id_71132901,SCHEMBL14309701	236.353	KEIMXGBLGVUABQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023316
OC(c1sc2c(c1)CCC2)c1ccsc1	PC-id_115805460	236.353	BHQQRYPKTZXTOW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-023317
s1c2c(CCC2)cc1C(O)c1sccc1	PC-id_61088249	236.353	CRJMSHPXRCFUNP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-023318
s1c2CCOc2cc1Cc1sc(cc1)C	PC-id_23543597	236.353	CLCDXJIHCIQYEL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-023319
s1c2c(OCC2)c(Cc2sc(cc2)C)c1	PC-id_23543566	236.353	MQWQDCVQVDOWAT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-023320
s1c(c2OCCc2c1)Cc1sc(cc1)C	PC-id_23543628	236.353	QKRZXODDLDXEBI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-023321
c1csc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_38138763,PC-id_61208575	236.356	QUNPLZUQSLWOKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023322
CC1CCc2c1c(CN)nn2CCCN(C)C	EMOLS-id_331015418,MCULE-7617419396	236.356	XIQPPHDVEYXHKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023323
CC1CCc2nn(CCCN(C)C)c(CN)c12	EMOLS-id_330998458,MCULE-3159525911	236.356	GDCVWBCSVDAMFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023324
CC(c1nnc2n1CCC2)NCCC(C)(C)C	PC-id_55155426,EMOLS-id_39485857	236.356	DFBNPQUSJBIJCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023325
CCCC(CCc1nnc2n1CCC2)CCN	PC-id_64344580,EMOLS-id_40454712	236.356	QODFWBCXGWHGFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023326
CCCCCCNC(c1nnc2n1CCC2)C	EMOLS-id_37811130,PC-id_43748055	236.356	FCJNWJBOERCDJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023327
CCCC(NC(c1nnc2n1CCC2)C)CC	PC-id_104663719	236.356	FZYQUAHJJXFJOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023328
CCC(CNC(c1nnc2n1CCC2)C)CC	PC-id_43748086,EMOLS-id_37811140	236.356	QLSCZOLFOFJVKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023329
CCCNCCCNCc1n[nH]c2c1CCC2	PC-id_104422677	236.356	BJZQKUYLEKSXFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023330
CCCNCCN(Cc1n[nH]c2c1CCC2)C	EMOLS-id_314450161,PC-id_104413318	236.356	TYINJFJWEDZDBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023331
CC(CNCCNCc1n[nH]c2c1CCC2)C	EMOLS-id_314468556,PC-id_104378977	236.356	YVLISUALHKJJNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023332
CCCNCC(NCc1n[nH]c2c1CCC2)C	PC-id_104395623,EMOLS-id_315886860	236.356	KTRDVGPAMVTYMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023333
CC(NCc1n[nH]c2c1CCC2)CNC(C)C	PC-id_113407369,EMOLS-id_315887119	236.356	PIVFESBODVJZNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023334
CCN(CCCn1cc2c(n1)CNC2C)CC	PC-id_112482584	236.356	AEWNEKTWTRSKBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023335
CCN(CCCn1nc2c(c1C)CNC2)CC	PC-id_96594359	236.356	SCZPJGXJZYQFMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023336
CC(NCCCNCc1n[nH]c2c1CCC2)C	EMOLS-id_315924228,PC-id_104423044	236.356	YCRVOYGVBYCZSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023337
CCN(CC(NCc1n[nH]c2c1CCC2)C)C	PC-id_103110043	236.356	NJIXTJXEKQHREX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023338
CC(NCCNCc1n[nH]c2c1CCC2)(C)C	PC-id_104378652,EMOLS-id_314868791	236.356	MQDUOLQYKVWCHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023339
CCN(CCNCc1n[nH]c2c1CCC2)CC	PC-id_104384823,EMOLS-id_260804475	236.356	HDGYULCXLJNMBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023340
CN(Cc1n[nH]c2c1CCC2)CCNC(C)C	PC-id_104413564,EMOLS-id_315143276	236.356	XNHOPMJVHFRPBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023341
n12CCCc1nnc2C(NCC(CCC)C)C	PC-id_43748024	236.356	MHYANPWCTJRESC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023342
n12CCCc1nnc2C(NC(C(CC)C)C)C	PC-id_43748030	236.356	BUINKWRSKZHUSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023343
n12CCCc1nnc2C(NC(CC(C)C)C)C	PC-id_43748138	236.356	CJJASZDKJAAJAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023344
n12CCCc1nnc2C(NC(CCCC)C)C	PC-id_43791499	236.356	HBMHKDBTRDHKEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023345
n12c(nnc1CCC2)CCC(C(C)C)CCN	EMOLS-id_40455805,PC-id_64357665	236.356	UJZXCBNESCLJFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023346
n12c(nnc1CCC2)C(NC(C(C)C)CC)C	PC-id_43791500	236.356	IRHYCJMQQSRLEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023347
Nc1c2CN(Cc2nn1C(C)(C)C)C(C)(C)C	PC-id_105498200	236.356	DTAKUTQKGCSLSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023348
Nc1nn(c2c1CN(C2)C(C)(C)C)C(C)(C)C	PC-id_105498201	236.356	GYGFMYWEUYGIPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023349
NCC1CCc2n1cnc2CCN(CC)CC	PC-id_112482581	236.356	XARPVIAZKDOHKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023350
s1c2CCCc2nc1C(N)c1ccsc1	PC-id_61331285	236.356	VCFZOTHXMAHAHU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-023351
s1c2CCCc2nc1C(N)c1sccc1	PC-id_61346173	236.356	JDYKDFZMQMHUEX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-023352
CCCCc1c(C)sc2c1C(C)C(C2=O)C	PC-id_142615417	236.373	AZSADPMPAMKBNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023353
CCCCCCC(=O)c1sc2c(c1)CCC2	PC-id_114966707	236.373	PQJOSBHFTPXLKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023354
CCCC(CC(=O)c1sc2c(c1)CCC2)C	PC-id_114968809	236.373	DSIJZYIHSYKCBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023355
CC(CCCC(=O)c1sc2c(c1)CCC2)C	PC-id_115795497	236.373	JFGNMXADDRHBRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023356
CCC(CC(=O)c1sc2c(c1)CCC2)CC	PC-id_115795307	236.373	QTJQGCZWYDYMNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023357
OC(c1sc2c(c1)CCC2)C1CCCCC1	PC-id_115802071	236.373	QYQGOBLPJLKDOV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023358
OC(c1sc2c(c1)CCC2)CC1CCCC1	PC-id_115789677	236.373	PGRISDLBFPCQRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023359
O=C(c1sc2c(c1)CCC2)CCC(C)(C)C	PC-id_114970084	236.373	QUGMTMLIFGCRRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023360
C1CC(C1)CCNCc1sc2c(n1)CCC2	PC-id_115887862	236.376	CWFRVOWMDIZPAX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023361
C1CCC(C1)CNCc1sc2c(n1)CCC2	PC-id_115887253	236.376	UPLXJBQREQXQJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023362
C1CCC(CC1)NCc1sc2c(n1)CCC2	PC-id_115887226	236.376	SIWFKNNZSDKVCN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023363
c1([C@@H](N)C2CCCCC2)sc2c(CCC2)n1	PC-id_83294822,MCULE-3935362179	236.376	FFTLCNOCQOFTMN-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023364
C1CNC(C1)CNCc1sc2c(c1)CCC2	PC-id_106638087	236.376	XNVILGCNLLINRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023365
CC1CC1CNC(c1sc2c(n1)CCC2)C	PC-id_115997435	236.376	OFTZRWHYHKJDMK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023366
CC1(CCC1)CNCc1sc2c(n1)CCC2	PC-id_115887834	236.376	FCAPQPFGAYCTHS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023367
CC1CC(C1)NC(c1sc2c(n1)CCC2)C	PC-id_115997491	236.376	RBLNRFPUPQNFQG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023368
CC1(CCCC1)NCc1sc2c(n1)CCC2	PC-id_115887409	236.376	KXFLUWKXISXFJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023369
CC1CCCC1NCc1sc2c(n1)CCC2	PC-id_115887447	236.376	XBNZKCZRMNWPQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023370
CC1(C)CCc2c1nc(s2)CNCC1CC1	EMOLS-id_42568929,PC-id_79857666	236.376	PWRPBDHJYOYGAH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023371
FC(c1c(Br)nc2n1CCC2)F	MCULE-6094346695	237.045	ILAGKVIJLVCIOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023420
CC(C1CC1)CNCc1sc2c(n1)CCC2	PC-id_115887329	236.376	DLSJWJLSTQAMIB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023372
CC(C1CC1)NC(c1sc2c(n1)CCC2)C	PC-id_115997431	236.376	YEMNRJHZBDSEAX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023373
C(Cc1cc2CCCc2s1)N1CCNCC1	MCULE-7739963106,EMOLS-id_313813187	236.376	DRSUIXGLLQPBHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023374
CCC1(CCC1)NCc1sc2c(n1)CCC2	PC-id_115887803	236.376	CJPJDGZSFJMXIS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023375
CC(C1CCC1)NCc1sc2c(n1)CCC2	PC-id_115888077	236.376	SMXBVUSJFKZXBS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023376
CCC1(CNCc2sc3c(n2)CCC3)CC1	PC-id_115887832	236.376	ZNBDBWWFPZBCQI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023377
CC(c1sc2c(n1)CCC2)(CC1CCC1)N	PC-id_116224264	236.376	CRXIVWJKSAWZCL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023378
CC(c1sc2c(n1)CCC2)NC1CCCC1	PC-id_115997426	236.376	ZNZGIWHVAZKZIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023379
CC(c1sc2c(n1)CCC2)NC1(C)CCC1	PC-id_115997514	236.376	OSIDEGOZPIKSMR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023380
CC(c1sc2c(n1)CCC2)NCC1CCC1	PC-id_115997437	236.376	HTENOOPJFUYURJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023381
CC(c1sc2c(n1)CCC2)NCCC1CC1	PC-id_115997490	236.376	GWRIPXOMKPWLAA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023382
CC(CC1CC1)NCc1sc2c(n1)CCC2	PC-id_115887520	236.376	BQCCMFMYSUWGJL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023383
CCCC1CC1NCc1sc2c(n1)CCC2	PC-id_115887774	236.376	FMYUYMFCEZUVFK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023384
C=CCCCC(c1sc2c(c1)CCC2)NN	PC-id_105311280	236.376	AYQZCWLFYATBKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023385
CCC(=C)CC(c1sc2c(c1)CCC2)NN	PC-id_105320319	236.376	BKQVOBPGVKCJCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023386
C/C=C/CCNC(c1sc2c(n1)CCC2)C	PC-id_115997482	236.376	MCKXKXMBZIAAFM-ONEGZZNKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023387
C=CCC(NC(c1sc2c(n1)CCC2)C)C	PC-id_115997484	236.376	TYHIXIXMQBKYRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023388
C(NCc1sc2c(c1)CCC2)CNC1CC1	PC-id_104378484,EMOLS-id_315851652	236.376	TVYVBZQLQVXHMH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023389
CNC(c1sc2c(n1)CCC2)(CC1CC1)C	PC-id_116224281	236.376	MCJDDEJIFHFNLJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023390
C(NCc1sc2c(n1)CCC2)CCC1CC1	PC-id_115887600	236.376	DKVWRVAUNYZYSN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023391
N1CCC(CC1)NCc1sc2c(c1)CCC2	PC-id_61207044,EMOLS-id_38138609	236.376	RXHHYMKEJRMDOS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023392
NNC(c1sc2c(c1)CCC2)C1CCCC1	PC-id_105282413	236.376	RPOAZFJPPMDBIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023393
NNC(c1sc2c(c1)CCC2)CC1CCC1	PC-id_105310047	236.376	OKJNNGGNEUCYAO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023394
NNC(c1sc2c(c1)CCC2)CCC1CC1	PC-id_105315089	236.376	YLKLYARIXBDITO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023395
NNC(c1sc2c(c1)CCC2)CCC(=C)C	PC-id_105335861	236.376	QVCIENGRDZVUAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023396
s1c2c(CCC2)cc1CNC1CCCNC1	PC-id_61638859	236.376	XUCNMFAVRICVSO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023397
s1c2c(CCC2)cc1CNC1CCN(C1)C	PC-id_62976184	236.376	UWRHOUFYTIBDAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023398
s1c2c(nc1CC1NCCC1)C(CC2)(C)C	PC-id_79857096	236.376	MUYRVWHJDZTMQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023399
s1c(CNC2CC(N)CC2)cc2CCCc12	PC-id_79462655	236.376	IKXABHVMPKJALS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023400
s1c(nc2c1CCC2)C(NC1CC1)CCC	PC-id_61333322	236.376	GHVFEFGZIYADAT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023401
s1c(nc2c1CCC2)C(NC1CC1)C(C)C	PC-id_61334298	236.376	JTRCJADFBSYZMF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023402
s1c(nc2c1CCC2)C(NC1CC1)(CC)C	PC-id_61335856	236.376	QBBKYVKZSCOZPI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023403
s1c(nc2c1CCC2)C(N)(C1CCCC1)C	PC-id_62633200	236.376	RGOSFTNEDRRASQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023404
s1c(nc2c1CCC2)C(N)C1CCCCC1	PC-id_61331883	236.376	FFTLCNOCQOFTMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023405
s1c(nc2c1CCC2)C(NC)(C1CC1)CC	PC-id_64918894	236.376	WFESYKQGLVOAAR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023406
s1c(nc2c1CCC2)C(NC)(C1(CC1)C)C	PC-id_80289433	236.376	KRBPWTAVSCYTBO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023407
s1c(nc2c1CCC2)C(NC)C1CCCC1	PC-id_62071594	236.376	KPBVVHIBFLQRQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023408
s1c(nc2c1CCC2)C(NCC)(C1CC1)C	PC-id_61332202	236.376	PTTRAJLQISCEKL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023409
s1c(nc2c1CCC2)C(NCC)C1CCC1	PC-id_80488242	236.376	DYHYWLACLZAANH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023410
s1c(nc2c1CCC2)C(NC(C)C)C1CC1	PC-id_61334053	236.376	NSJWCWQYBBJYPT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023411
s1c(nc2c1CCC2)C(NCCC)C1CC1	PC-id_61335187	236.376	NMVZVNUNWQNPBI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023412
CC1(C)Cc2c(C1(C)C)cc(s2)C(C)(C)C	PC-id_58540108,SCHEMBL12024905	236.416	UBDNUAWSELLPCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023413
CC=C1Sc2c(S1)sc(=S)s2	SCHEMBL13651440,PC-id_57901498	236.421	LEFZNHXXGBKLSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023414
O=C(O)c1c(Cl)nc2n1CCS2(=O)=O	SPECS-id_AT-819/OC08131,MDPI-id_18624,ZINC22_1104916,CNP0438602,PC-id_1284660,EMOLS-id_5865893	236.633	AYYLYXGIEOWZKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023415
COc1nn2CCCc2c1S(=O)(=O)Cl	EMOLS-id_330910962,PC-id_118164855,SCHEMBL16825338	236.676	UGJYJUIXKQXTRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023416
ClS(=O)(=O)Cc1cc2CCCc2s1	EMOLS-id_50798793,MCULE-7945518716,PC-id_112639785	236.739	QTXMQINIZKPNCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023417
CC=C=NC(=O)C1(CC2=C(S1)SC=C2)C	PC-id_163544978	237.028	FEGUJXKDNDJUBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023418
Cn1nc(c2c1CCC2(F)F)Br	PC-id_105498708	237.045	YXNGRFGGGONUML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023419
FC(F)c1nn2CCCc2c1Br	MCULE-6347815771,EMOLS-id_324137784	237.045	LTTLNXRHBAXTAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023421
CC(=O)C1=C([N+](=C2N1C(CS2)CC#N)C)[O-]	PC-id_164805950	237.057	PXDVXTOQASKZNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023422
Brc1oc2CS(=O)(=O)Cc2c1	PC-id_84798397	237.071	OGYNKUVGTABBPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023423
Brc1occ2CS(=O)(=O)Cc12	PC-id_15247591	237.071	OZBGNMFEWDHJML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023424
Brc1n[nH]c2c1CS(=O)(=O)C2	PC-id_105498718	237.074	MQVJRAXIELBNDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023425
CC(C)(C)C(=O)NC1CC(=O)C2=C1C=CS2	PC-id_153785736	237.082	UVLYJUZHDPALOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023426
C1C(=Cc2c1n(nc2C#N)Cc1ccccc1)O	PC-id_163697711	237.09	JYICSHVZNVRESU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-023427
CC(C)(C)OC(=O)N1Cc2c(C1)n(nc2)[AlH2]	PC-id_163842919	237.106	ONPDYOBKZLSQOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023428
Clc1sc(Cl)c2c1C(N)CC2=NO	PC-id_394226	237.106	SIPIVNWRXDQSCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023429
O/N=C/1C[C@@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5764354	237.106	SIPIVNWRXDQSCS-AOCHXJETSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023430
O/N=C/1C[C@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5764355	237.106	SIPIVNWRXDQSCS-KCRFVPGBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023431
O/N=C
/C[C@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5764356	237.106	SIPIVNWRXDQSCS-YQFBBLPXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023432
O/N=C
/C[C@@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5764357	237.106	SIPIVNWRXDQSCS-BMUDHVQOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023433
C=Cc1ccc(cc1)C(=O)c1ccc2n1CCC2	PC-id_163793240	237.115	MYQPSDLOEUAFTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023434
O=C(n1c(B)cc2c1CCS2)OC(C)(C)C	SCHEMBL15615646	237.126	DNKQISHLJPGUCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023435
CCOC(=O)C1=NN2CCN(C2=C1)C(C)(C)C	PC-id_162349468	237.148	IZSCLHLFILOEHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023436
COC(=O)c1cc2c([nH]1)CC(C2(F)F)(F)F	PC-id_139034250	237.151	BBVVEWIKJGMFDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023437
COC(=O)c1cc2c([nH]1)C(C(C2)(F)F)(F)F	PC-id_139035482	237.151	KNSQDDUMNJYURP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023438
OC(=O)C1CCc2c1nc(s2)C(F)(F)F	PC-id_104287348	237.199	KOPUUDMXXMCLAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023439
CSC1N=Nc2n1nc(c2N)C(F)(F)F	SCHEMBL6288463,PC-id_69733280	237.206	AKMYXDJYWVMVNY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023440
Cc1c(n2CCCc2c1C(=O)C(=O)O)C(=O)O	PC-id_134285166,SCHEMBL19900871	237.209	QWJBPWJXMJVPDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023441
COC(=O)c1cc2c(n1C(=O)O)CC(C2=O)C	SCHEMBL1006400,PC-id_66874434	237.209	RROFUUZMUXAEMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023442
COC(=O)c1ccn2c1[C@@H](OC(=O)C)CC2=O	PC-id_102161875	237.209	DQNNLTJWTPBHJT-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023443
OC(=O)c1coc2CN(Cc12)C(=O)OCC=C	EMOLS-id_331209973	237.209	SJYSNZDWNOXOPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023444
c12c(C(=O)OCC)n[nH]c1C(=O)N(CC)C2=O	MCULE-4299894293,CHEMBL1541399,CoCoCo_1879576,CoCoCo_1879575,ChEMBL-DNDi_CHEMBL1541399,PC-id_3236253,EMOLS-id_2580375,ZINC22_5126292	237.212	PQPXUGQAFWAWPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023445
O=C1N(C(=O)c2ncn(c12)CCC)CC(=O)O	PC-id_83814513	237.212	GYPSRXFEALUKMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023446
O=C1N(C(=O)c2ncn(C(C)C)c12)CC(=O)O	PC-id_83814511	237.212	WJZUKDPRERSMKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023447
OC(=O)c1cnn2CCN(C(=O)OCC=C)c12	EMOLS-id_331210486	237.212	GGGDSGRGOFMWKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023448
OC(=O)C1N(Cc2n[nH]cc12)C(=O)OCC=C	EMOLS-id_331209718	237.212	NUUQPRIRRJQABJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023449
C[C@H]1CCc2n1nc(n2)S(=O)(=O)C(F)F	SCHEMBL20967695,PC-id_138605460	237.227	SZDGIEWIVKKSTD-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023450
FC(n1c2CNCc2nc1S(=O)(=O)C)F	PC-id_118613913,SCHEMBL17380172	237.227	VFZPKKWPEXBGKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023451
O=C(NCc1n2CCCc2nn1)C(C)C(=O)[O-]	PC-id_75770533	237.235	ITSJLQXEFOHYSQ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-023452
O=C(NCc1n2CCCc2nn1)[C@H](C)C(=O)[O-]	PC-id_52024806	237.235	ITSJLQXEFOHYSQ-LURJTMIESA-M	00000010100000000001000010000000000000000000000000000000	25-01-023453
O=C(NCc1n2CCCc2nn1)[C@@H](C)C(=O)[O-]	PC-id_52024808	237.235	ITSJLQXEFOHYSQ-ZCFIWIBFSA-M	00000010100000000001000010000000000000000000000000000000	25-01-023454
OC(=O)C(Cc1nc2p(c1C)CC(=C2)C)C	PC-id_145687641	237.235	HTZWOIFXNOAXHM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023455
CC1CCc2c1c(nn2CC1CC1(F)F)C#N	EMOLS-id_331020021,MCULE-4985494888	237.249	YENCKAHPHNNDKG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023456
CC1CCc2nn(CC3CC3(F)F)c(C#N)c12	EMOLS-id_331000767,MCULE-6010336216	237.249	QGXNSBOGWIIZEG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023457
c1(C(=O)OC)c2CCCn2c(C)c1C(=O)OC	CoCoCo_270868,ZINC22_3893654,CHEMBL1311370,TIMTEC501450,PC-id_2904929,SPECS-id_AE-842/32631036,EMOLS-id_1409130,MCULE-5134951771,BAS-02976445,TIMTEC23615,ChEMBL-DNDi_CHEMBL1311370	237.252	VJABPNYCOZJQBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023458
CC(C)OC(=O)c1c2C(CCn2cc1)C(=O)O	PC-id_91987724	237.252	IZOSJMGAOUVCOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023459
CCCOC(=O)C1CCn2c1c(cc2)C(=O)O	SCHEMBL10816412,PC-id_20253958	237.252	MEXSYXQICMBYAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023460
CC(C)OC(=O)C1CCn2ccc(C(=O)O)c12	PC-id_12795090,MCULE-2272365317,EMOLS-id_93455146,SCHEMBL9675473	237.252	FVHJZNYIGLNCFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023461
CC(C)OC(=O)[C@@H]1CCn2ccc(C(=O)O)c12	ZINC22_39291830,PC-id_93516155	237.252	FVHJZNYIGLNCFQ-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023462
CC(C)OC(=O)[C@H]1CCn2ccc(C(=O)O)c12	ZINC22_39291832,PC-id_93516156	237.252	FVHJZNYIGLNCFQ-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-023463
CCOC(=O)c1[nH]c2c(c1OC(=O)C)CCC2	PC-id_24125792,TIMTEC22269	237.252	HLWLYWOYHHAPTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023464
CC(=O)OC1(CCc2c1[nH]c(c2)C)OC(=O)C	SCHEMBL12844663,PC-id_68402435	237.252	YXCVQHVUJZFCAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023465
COC(=O)C1CCn2c1c(C(=O)OC)c(c2)C	SCHEMBL11606059,PC-id_12795064	237.252	FCLFONSRXOUUIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023466
O=C1C(Cn2c1c(cc2)COC)C(=O)OCC	PC-id_11746655	237.252	RYOHPJDTBAHVHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023467
c12CN(Cc1nn(CC)c2C=O)C(=O)OCC	MCULE-2812706545,EMOLS-id_324347495	237.255	YLYNPTPFSCSGHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023468
c12CN(Cc1nn(CCC)c2C=O)C(=O)OC	EMOLS-id_324349542,MCULE-8309003010	237.255	KYBRXKWUMAIUOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023469
C1CC(OC1)CNC(=O)c1nn2CCOc2c1	PC-id_91959855	237.255	LDMBQHGKDDQZGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023470
C1CN(CCC1O)C(=O)c1nn2CCOc2c1	PC-id_91959853	237.255	KSZAVDUDRKWBNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023471
c1(C(=O)N)c2C(C)CCc2n(CC(=O)OC)n1	MCULE-6775900886,EMOLS-id_331039235	237.255	QXVLTKSIFRGKHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023472
c1(C(=O)NCCC(=O)OC)c2CCCc2[nH]n1	EMOLS-id_323258291,MCULE-8558476210	237.255	GHPZHBKEMWXULK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023473
c1(C(=O)N[C@@H](C)C(=O)OC)c2CCCc2[nH]n1	EMOLS-id_323258039,MCULE-5187809901	237.255	WFYMRQOCXKGTCK-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-023474
CC1OCCC1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_111134418	237.255	OVXWACLTAOPVON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023475
CC(C)(C)OC(=O)C(=O)N1CCn2ccnc12	ZINC22_521394579,EMOLS-id_177280143,MCULE-9444110968	237.255	RJFFDEVAMSKBGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023476
CCCNC(=O)c1oc2c(n1)CN(C2)C(=O)C	PC-id_97410648	237.255	XOXRUMZPKDWNMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023477
CCOC(=O)CCc1cnn2c1N(C=O)CC2	PC-id_17961982,SCHEMBL5151750	237.255	SVQPAHDVSOQBIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023478
CO[C@H]1CCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99574066	237.255	LXVCKULJTTUIKJ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023479
COC(=O)CC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_278892870	237.255	MZNOTYSTCQUWIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023480
COC(=O)Cn1nc2CCC(C)c2c1C(=O)N	MCULE-4132153413,EMOLS-id_330956994	237.255	UFSWGDQXABTBRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023481
OC1CC(N(C1)C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99604081	237.255	LZOUHPYZGDCEQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023482
OCC1CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_303364380	237.255	IEAYXKZKZGIIPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023483
OCC1(C)CCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_319278827	237.255	WOENATJBHJKZCK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023484
O=C(C1CC(O)C1)N1Cc2[nH]nc(CO)c2C1	EMOLS-id_313784984,ZINC22_1565546592	237.255	AJSYLLSPVAQHKH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023485
O=C(c1nn2c(c1)OCC2)N1CCC(C1)(C)O	EMOLS-id_99578698	237.255	MSGLEVSTUXAJHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023486
O=C(C1(O)COC1)NCc1nn2c(c1)CCC2	EMOLS-id_319396670	237.255	GNIMGFXBEITOBR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023487
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2C=O)C1	PC-id_83866803	237.255	PKTWMFFQXCWIGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023488
OC[C@@H]1CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_100536321	237.255	IEAYXKZKZGIIPO-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023489
OC[C@H]1CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_99599946	237.255	IEAYXKZKZGIIPO-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023490
O[C@H]1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99616238	237.255	WGTRXDJRUOUNSJ-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023491
O(C(=O)c1c2n(CCC2)c(c1N)C(=O)N)CC	PC-id_13764607	237.255	XKICFDKDHWDQPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023492
c1ccc(cc1)Cn1c2c(C=C=C2)c(n1)C(=O)N	PC-id_89375017,SCHEMBL14597506	237.257	PLZUFYDAGMIQEY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-023493
C(n1nc(C#N)c2c1CC(=O)C2)c1ccccc1	SCHEMBL5531336,PC-id_23135168,MCULE-2503623861	237.257	ODZVDNSAENVAKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-023494
O=C1CCn2c1cc(c2)C#Cc1nc(N)ccc1	PC-id_71491703	237.257	VPYXRLJCGPLITR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-023495
CCn1c(nc2c1CN(C2)O)C(=N)OC(=N)C	PC-id_144979305	237.258	HKPKMIVOQBFIPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023496
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)C	SCHEMBL2918796,PC-id_68440724	237.258	JAZJAGWFSFJJSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023497
CCN(C(=O)N1Cc2c(C1C(=O)N)c[nH]n2)C	EMOLS-id_318796397	237.258	IHTHRNHNSKPKMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023498
O=C(C(C)C)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2919404,PC-id_68440932	237.258	BTBUXHKHEWUIMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023499
O=CONC(=NC)c1nc2c(n1CC)CNC2	PC-id_144979549	237.258	LRNUFQGTOWNFEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023500
n12CC(=C(c1nc(c2C#N)C#N)C#N)C(C)(C)C	PC-id_23063952,SCHEMBL2266874	237.26	JKDHGSBCBRAGIT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023501
n12cc(C(C)(C)C)c(c1N=C(C2C#N)C#N)C#N	SCHEMBL2266876,PC-id_67340904	237.26	OTNQHGNVQPTCPF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023502
C1Cn2c(c(c(=O)n2C1)NNC1=NCCN1)N	PC-id_90972042	237.262	AHPNMQKKDQAKFN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023503
CC(C1CC(c2n1nc(n2)C(=O)C1CC1)F)C	PC-id_137409217,SCHEMBL20642115	237.273	PTTPTZMTRGOUSW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023504
CC(C1C[C@@H](c2n1nc(n2)C(=O)C1CC1)F)C	SCHEMBL20867557,PC-id_138515766	237.273	PTTPTZMTRGOUSW-IENPIDJESA-N	00100010100000000001000010000000000000000000000000000000	25-01-023505
CCCC1CC(c2n1nc(n2)C(=O)C1CC1)F	SCHEMBL20641190,PC-id_137408388	237.273	GRLDALWFSIFFNM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023506
CCC[C@@H]1C[C@@H](c2n1nc(n2)C(=O)C1CC1)F	PC-id_137408389,SCHEMBL20641191	237.273	GRLDALWFSIFFNM-BDAKNGLRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023507
CC(C)[C@@H]1C[C@@H](c2nc(nn12)C(=O)C1CC1)F	SCHEMBL20640538,PC-id_137407925	237.273	PTTPTZMTRGOUSW-IUCAKERBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023508
FC1CC(C1)C(=O)NCc1cnc2n1CCC2	MCULE-9266903576,EMOLS-id_319953939	237.273	RINIXCUMQZDCKX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023509
FC1CC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319820704,MCULE-4785308148	237.273	TZSVIWYLKZKQBL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023510
FC[C@@H]1C[C@H]1NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319794735	237.273	RICGZDFKMWVBLK-OIBJUYFYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023511
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)(C)F	EMOLS-id_102361663	237.273	GRAPUTSMRVRWPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023512
CCc1cc2c(s1)C(=O)N(C2=O)CC(=O)C	PC-id_90325675,SCHEMBL15931506	237.275	OQINYYXXVFYQEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023513
C=CC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_37532209,PC-id_43431257	237.275	JRDYKNSUSHTHIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023514
CCOC(=O)c1c(N=C=O)sc2c1CCC2	SCHEMBL10712702,PC-id_20186634	237.275	JIZFCSVBEVGJHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023515
CCOC(=O)/C=C/c1cc2c(s1)NC(=O)C2	PC-id_69844668,SCHEMBL6628473	237.275	PCLGCLUXRUPSRL-ONEGZZNKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023516
s1c2NC(=O)Cc2cc1C=CC(=O)OCC	PC-id_69844669	237.275	PCLGCLUXRUPSRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023517
s1c2CCCc2nc1NC1CC(=O)NC1=O	PC-id_61508860	237.278	AINXDLHMOZICQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023518
o1c2c(c(c1C(C)C)C(CN)C(=O)O)CCC2	PC-id_84700091	237.295	PKOOSCSTEHZWRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023519
o1c2c(c(c1C(C)C)C(N)CC(=O)O)CCC2	PC-id_84700090	237.295	GGCWNEHWXRMBDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023520
o1c2c(CCC2)c(c1C(C)C)CC(N)C(=O)O	PC-id_84700089	237.295	SOQVQQDRRMREEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023521
o1c2C(CCc2cc1C(C)C)(CC(=O)O)CN	PC-id_83912202	237.295	HAAGRXNEZMVOHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023522
o1c2c(C(CC2)(CC(=O)O)CN)cc1C(C)C	PC-id_83912203	237.295	KHCOMZBMHDNXQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023523
o1c2c(c(C(CCC(=O)O)CN)c1C)CCC2	PC-id_84798585	237.295	KRXPFCHRSYCTJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023524
O1c2c(n(c(c2C)C(O)C)CC)C(C1=O)(C)C	PC-id_23386164	237.295	OXXSQXWZTSMCLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023525
o1c(C(C)(C)C)c(c2c1CN(C2)C)CC(=O)O	PC-id_84798550	237.295	GZJAEROHVNNRHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023526
CCc1ccc(cc1)C=C1Cn2c(C1=O)ccc2	MCULE-9070988695,PC-id_72057147,EMOLS-id_26233109	237.296	AOVNOIQCKIMRDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023527
CCc1ccc(cc1)/C=C/1Cn2c(C1=O)ccc2	PC-id_25613426,CoCoCo_4588824	237.296	AOVNOIQCKIMRDU-GXDHUFHOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023528
CCc1ccc(/C=C/Cn3cccc3C2=O)cc1	ZINC22_96941983,CoCoCo_4588825,PC-id_97743876	237.296	AOVNOIQCKIMRDU-UVTDQMKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023529
O=C(CC1c2n(CC1=C)ccc2)c1ccccc1	PC-id_85759562	237.296	BEUVBSDXYZPIMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023530
c12CN(Cc1nn(C(C)(C)C)c2)C(=O)OCC	EMOLS-id_324338786,MCULE-9981505367	237.298	ZMFUXPJANVQAAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023531
c1(CC(C)(C(C)C)C(=O)O)nnc2CCCn12	MCULE-2032868907,PC-id_55125936,EMOLS-id_39421476	237.298	FEUACCCAQISFIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023532
c1(C(=O)N)c2C(C)CCc2n(CC(CC)O)n1	EMOLS-id_331040771,MCULE-3525533427	237.298	NNOXDWSXIYQNQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023533
c1(C(=O)N)c2C(C)CCc2nn1CC(CC)O	EMOLS-id_330958530,MCULE-7508305809	237.298	YXTPFYYNYRSEGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023534
c1(C(=O)N(C)C)c2COCc2nn1C(C)(C)C	EMOLS-id_324402522,MCULE-9423195809	237.298	MDKBBWGPQLFXME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023535
c1(C(=O)NCCCCCO)c2CCCc2[nH]n1	MCULE-3534491340,EMOLS-id_334899198	237.298	OOJPGVLIXCRXAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023536
c1(C(=O)NCCCOC)c2CCCc2n(C)n1	MCULE-3439838844,PC-id_110388986,EMOLS-id_179745025	237.298	YCZJJJQKNQXHLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023537
c1(C(=O)NCCCOCC)c2CCCc2[nH]n1	EMOLS-id_334910975,MCULE-8796563516	237.298	PWDXMUHSLLDSEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023538
c1(C(=O)NCCOC(C)C)c2CCCc2[nH]n1	EMOLS-id_334951145,MCULE-2772821780	237.298	LCPAMUQAKVCION-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023539
c1(C(=O)N[C@H](CO)C(C)C)c2CCCc2[nH]n1	MCULE-5676054428,EMOLS-id_323258551	237.298	CBHPQFKOCOZRLC-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023540
c1(C(=O)O)c2C(C)CCc2n(CCN(C)C)n1	EMOLS-id_330989562,MCULE-2756827252	237.298	VLEDLHJBORTTQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023541
c1(C(=O)O)c2C(C)CCc2nn1CCN(C)C	EMOLS-id_330969788,MCULE-7863552975	237.298	ZLECJYOKZQDWJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023542
c1(C(=O)OC)c2C(C)CCc2n(CCCN)n1	MCULE-9738056013,EMOLS-id_330993906	237.298	IEZALDBGAFRPRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023543
c1(C(=O)OC)c2C(C)CCc2nn1CCCN	EMOLS-id_330980786,MCULE-7593380602	237.298	WQKQWGRTDTZHCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023544
c1(C(=O)OCC)c2CNCc2nn1CC(C)C	MCULE-3393243157,EMOLS-id_324342894	237.298	RDBIMVTWJYKBDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023545
CC1CCc2c1nn(c2N)C(=O)OC(C)(C)C	PC-id_101246381	237.298	AQBPOZOLRGBWBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023546
CC1CCc2c1n(nc2N)C(=O)OC(C)(C)C	PC-id_101246382	237.298	RLHNDMOLKNJSTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023547
CC1CC(c2n1ccn2)NCC1(O)COCC1	EMOLS-id_98849485	237.298	JCLCUPHFXJKRCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023548
CC1N(Cc2c1cnn2C)C(=O)OC(C)(C)C	EMOLS-id_337762350	237.298	QWZHKXOUSDUCLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023549
CC1N(Cc2nn(C)cc12)C(=O)OC(C)(C)C	EMOLS-id_337762606	237.298	PNMPTNIBDKKDNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023550
CC1OCCC1(O)CNC1CCn2c1ncc2	EMOLS-id_98847345	237.298	PNURSCHYHCLZMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023551
CCc1n[nH]c2CN(Cc12)C(=O)OC(C)(C)C	MCULE-5071446625,EMOLS-id_316172385,PC-id_134714776	237.298	BNKUIAKSGUPNQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023552
CCCC(C)NC(=O)c1nn2CCOc2c1C	PC-id_91959993	237.298	JIBAIZOXPIADFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023553
CCC(CCNC(=O)c1n[nH]c2c1CCC2)O	PC-id_112309888	237.298	MZKZZTNULUMUTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023554
CC(CCN(C(=O)c1n[nH]c2c1CCC2)C)O	PC-id_111696012	237.298	AQJQKFJKKGOBCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023555
CC(C(CNC(=O)c1n[nH]c2c1CCC2)O)C	PC-id_112358882	237.298	MOCRPBPJOFOWDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023556
CC(C)(C)OC(=O)c1c(CN)nn2CCCc12	EMOLS-id_330981130	237.298	CKBWKCVIMOEUCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023557
CC(C)(C)OC(=O)c1n[nH]c2c1CNC2(C)C	MCULE-4340751404,EMOLS-id_336503259	237.298	DXLHUQUMMFPTNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023558
CC(C)(C)OC(=O)Cn1nc2CCCc2c1N	EMOLS-id_259688115,MCULE-3929179120	237.298	XBOALLLWKTWSOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023559
CC(C)(C)OC(=O)NCc1n[nH]c2c1CCC2	PC-id_90820375	237.298	JHSOUAVYPURKNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023560
CCC(C(=O)NCc1cnc2n1CCC2)(O)C	EMOLS-id_319758285	237.298	IHCVRSNPRYHDIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023561
CCC(C(=O)NCc1n[nH]c2c1CCC2)CO	MCULE-6506332359,EMOLS-id_320046968	237.298	JXBAQNPTTRHJHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023562
CCC(C(=O)NCc1n[nH]c2c1CCC2)(O)C	EMOLS-id_319030974	237.298	FTXNVSLKJHYMJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023563
CCC(C(=O)NCc1n[nH]c2c1CCC2)OC	MCULE-5650507620,EMOLS-id_319970176	237.298	KFHSGJVIUNAWQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023564
CCC(C(=O)O)(Cc1nnc2n1CCC2)CC	EMOLS-id_39421478,PC-id_62874015	237.298	USOQMJDOUUMTMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023565
CC([C@H](C(=O)NCc1cnc2n1CCC2)O)C	EMOLS-id_319156806	237.298	VJXOJPHFNJZMEV-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023566
CC([C@@H](C(=O)NCc1n[nH]c2c1CCC2)O)C	EMOLS-id_318870114	237.298	GPBQJCKWNIXLHH-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-023567
CC([C@H](C(=O)NCc1n[nH]c2c1CCC2)O)C	MCULE-6270753913,EMOLS-id_320038062	237.298	GPBQJCKWNIXLHH-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023568
CCn1c2c(CN(C2)C(=O)OC(C)(C)C)cn1	PC-id_137495591,SCHEMBL20738562	237.298	PNLCAJIBQGIJKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023569
CCN1Cc2c(C1)c(n(n2)C(C)(C)C)C(=O)O	PC-id_105499154	237.298	LFQSIWFVLKKNEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023570
CCN1Cc2c(C1)c(nn2C(C)(C)C)C(=O)O	PC-id_105499157	237.298	YSDPXGAWYMUHMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023571
CC(N1Cc2c(C1)c(n(n2)C(C)C)C(=O)O)C	PC-id_105499155	237.298	BEROXUPXVBJJFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023572
CC(N1Cc2c(C1)c(nn2C(C)C)C(=O)O)C	PC-id_105499158	237.298	VKCDXFMWGLSAEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023573
CCn1cc2C(NCc2n1)C(=O)OC(C)(C)C	MCULE-5610452385,EMOLS-id_259640474	237.298	YBNZFMUTIKVXKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023574
CCn1cc2CN(Cc2n1)C(=O)OC(C)(C)C	PC-id_137495592,SCHEMBL20738563	237.298	DCIDDFILNGFNKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023575
CCn1nc2c(c1C(=O)O)CN(C2)C(C)(C)C	PC-id_105499153	237.298	CETOZLBQWQVLGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023576
CCn1nc(c2c1CN(C2)C(C)(C)C)C(=O)O	PC-id_105499156	237.298	PDFKXMNMZJQTHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023577
CCOC(C(=O)Nc1n(C)nc2c1CCC2)C	PC-id_146087382,MCULE-8409795380,EMOLS-id_324042504	237.298	CZAYDBGTTPNNOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023578
CCO[C@@H](C)C(=O)Nc1c2c(nn1C)CCC2	ZINC22_299283188	237.298	CZAYDBGTTPNNOP-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023579
CCO[C@H](C)C(=O)Nc1c2c(nn1C)CCC2	ZINC22_65855895	237.298	CZAYDBGTTPNNOP-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023580
CCOC(=O)Cn1nc2c(c1N)C(CC2)(C)C	EMOLS-id_42572791,PC-id_79865316	237.298	FIMMMMVQCFUPKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023581
CCOC(=O)Cn1nc2CCC(C)c2c1CN	MCULE-8998682099,EMOLS-id_331001785	237.298	WICIFLPWBXKYQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023582
CCOC(=O)Cn1nc(CN)c2C(C)CCc12	MCULE-4376230539,EMOLS-id_331014650	237.298	ZYQALCSTSCBDQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023583
CN(C(=O)c1n[nH]c2c1CCC2)CC(O)(C)C	PC-id_111694880	237.298	ZFYKUMFOSMGEDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023584
COC(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_318802470	237.298	DOMJAKUBRHMYSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023585
COC(=O)Cn1nc2c(c1)CN(C2)C(C)(C)C	SCHEMBL13562718,PC-id_70937957	237.298	MYYWCGANWVQELF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023586
COC(=O)C(N)C(C)(C)c1n[nH]c2CCCc12	EMOLS-id_313878353,MCULE-6054224026	237.298	OBDUOBDLGOWSNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023587
O(C(C)(C)C)C(=O)N1Cc2[nH]c(cc2C1)CN	PC-id_84798610	237.298	ZOGYNWRJTXFQGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023588
OCCCC(NC(=O)c1n[nH]c2c1CCC2)C	PC-id_112308607	237.298	LWNFCCREVCJQSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023589
OCC(C(NC(=O)c1n[nH]c2c1CCC2)C)C	PC-id_112340584	237.298	QAGYKMMPRBQKIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023590
OCCC(NC(=O)c1n[nH]c2c1CCC2)CC	PC-id_112341521	237.298	GCGZUDWXLXKQQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023591
O=C(CC(O)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318984250	237.298	LHBUCVQSBKRXCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023592
O=C(CC(O)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319600805	237.298	RMQOLTSZXVNASS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023593
OCC(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_320053797,MCULE-7699960902	237.298	UUSHMGOTPZXCNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023594
OCC(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_319968888,MCULE-8127190982	237.298	SUHVHYCNCMBCRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023595
O=C(N1Cc2c(C1)c(nn2C)C)OC(C)(C)C	PC-id_141215716	237.298	MEUMCSGFHNDSIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023596
O=C(N1Cc2c(C1)nc(n2C)C)OC(C)(C)C	SCHEMBL17380106,PC-id_118613850	237.298	BNCFLJBSNVWHHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023597
O(C(=O)C1(N)c2c(nn(c2C(C)C)C)CC1)C	PC-id_83912209	237.298	OIZFTFLLXFKXFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023598
O(C(=O)C1(N)c2c(n(nc2C(C)C)C)CC1)C	PC-id_83912210	237.298	RICYPZZVUFFABL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023599
OC(=O)CC1(CCc2[nH]nc(c12)C(C)C)CN	PC-id_83912207	237.298	GWVZOVPBTQBESH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023600
O(C(=O)C(c1n2CCCc2nn1)CCC)CC	PC-id_79472328	237.298	WLLRGCMKWNICRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023601
O(C(=O)C(c1n2CCCc2nn1)C(C)C)CC	PC-id_79472647	237.298	NTDKUJQKPDWWKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023602
O=C(OC(C)(C)C)NCC1CCn2c1ncc2	PC-id_139706451	237.298	RKWWBMDHZGPDII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023603
CC1CCc2c1c(nn2Cc1ccccc1)C#N	MCULE-6082715649,EMOLS-id_331019249	237.3	UVEMZZCGLMQADQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-023604
CC1CCc2nn(Cc3ccccc3)c(C#N)c12	EMOLS-id_330999995,MCULE-2894589730	237.3	ILWINTYLSFARLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-023605
n12nnc(c1CCC2)C#Cc1ccc(CC)cc1	PC-id_71747302	237.3	DBULASGZALEFPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-023606
n1(nc(c2CC(Cc12)C)C#N)Cc1ccccc1	SCHEMBL14570519,PC-id_58713635	237.3	ODNNNNQEPLRJDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-023607
c1(C(C)NC(=O)CCCN)nnc2CCCn12	EMOLS-id_37794864,MCULE-3929355043,PC-id_43698143	237.301	JIDMPPQLZVNFQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023608
c1(C(C)NC(=O)C(CC)N)nnc2CCCn12	PC-id_43698152,MCULE-5137455401	237.301	NSGUIOUGNUKWDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023609
c1(C(C)NC(=O)C(C)(C)N)nnc2CCCn12	PC-id_61266373,MCULE-7627639398,EMOLS-id_38177799	237.301	SPTNUIPRUHKKPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023610
c1(C(C)NC(=O)CCNC)nnc2CCCn12	PC-id_61714239,EMOLS-id_38527168,MCULE-4543309984	237.301	ILBZZEJXPMOPFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023611
c1(CN(C)C(=O)CCCN)nnc2CCCn12	PC-id_54872760,MCULE-2538161009,EMOLS-id_37961449	237.301	NTKYLPXIQNJYSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023612
CC1(CN2CCNCC2)Oc2n(C1)cc(n2)N	PC-id_70960280,SCHEMBL13648984	237.301	UNKASGVOVHZSHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023613
CCC(C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_54872773,EMOLS-id_37961453	237.301	GYMUNZISXHWOAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023614
CC(CC(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_54872786,EMOLS-id_37961455	237.301	XIIGLSICGGENLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023615
CC[C@@H](C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_65811858,EMOLS-id_41492823	237.301	GYMUNZISXHWOAK-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023616
CC[C@H](C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_79024155,EMOLS-id_41492821	237.301	GYMUNZISXHWOAK-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023617
CCNCC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_38601415,PC-id_61809766	237.301	ONXOPVHVIJUKAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023618
CCNCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_61810884,EMOLS-id_38602151	237.301	LQWPSFFNYSGEMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023619
CNCCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_61712594,EMOLS-id_38527854	237.301	MWUKQILODSKDGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023620
CNC(C(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_55096807,EMOLS-id_39236923	237.301	AUZMMXPXIKUNQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023621
CN([C@@H](C(=O)NC1CC(n2c1ncn2)C)C)C	EMOLS-id_316677638	237.301	IMNPMXCAMLFSGD-QJAFJHJLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023622
CN(C(=O)C(N)(C)C)Cc1nnc2n1CCC2	EMOLS-id_38178493,PC-id_61265441	237.301	KCYHQHCVXGUEER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023623
NCC(C(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_55104421,EMOLS-id_39271571	237.301	QAPIWBSKHMKLSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023624
O=C(n1ncc2CN(CC(N)(C)C)Cc12)CN	PC-id_82388964	237.301	DNDQZLDCFRBUEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023625
O=C(NC(c1n2CCCc2nn1)C)CC(N)C	PC-id_60837349	237.301	HGZKNWNZGDWMPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023626
O=C(NC(c1n2CCCc2nn1)C)C(CN)C	PC-id_62670144	237.301	OVBIJRHSRQGHFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023627
O=C(NC(c1n2CCCc2nn1)C)[C@H](N)CC	PC-id_65813483	237.301	NSGUIOUGNUKWDA-BRFYHDHCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023628
O=C(NC(c1n2CCCc2nn1)C)[C@@H](N)CC	PC-id_79025343	237.301	NSGUIOUGNUKWDA-MQWKRIRWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023629
O=C(NC(c1n2CCCc2nn1)C)C(NC)C	PC-id_62637463	237.301	RHWYFONOSVZJBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023630
O=C(NCCc1n2CCCc2nn1)C(N)(C)C	PC-id_83626500	237.301	MMZPLMIJMFZSAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023631
S1c2n(nc(n2)Cc2sccc2)C(=O)C1	PC-id_82357945	237.301	NTNYWUDQRKUEBZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-023632
FC1CCCC1NCc1n(C)nc2c1CCC2	EMOLS-id_317475668,MCULE-2827974285	237.316	VLELQIKUQGBJCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023633
CCCCCCc1scc2c1C(=O)NC2=O	PC-id_141326057	237.318	HRFUSVCZCFKWOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023634
CCCCCCN1C(=O)c2c(C1=O)scc2	SCHEMBL20434455,PC-id_135271167	237.318	RARKHTMMBWUJPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023635
CCCCCCN1C(=O)c2c(csc2)C1=O	SCHEMBL15929294,MCULE-7403980531,PC-id_85848924	237.318	JXOXYDPSLHLKLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023636
CCCCN1C(=O)c2c(C1=O)c(sc2C)C	PC-id_85828192,SCHEMBL16356253	237.318	XVUFLHCJYCYDAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023637
CC(C(=O)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_40912503,PC-id_64996566	237.318	XORMRWDUKGBPJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023638
C=C(C(=O)O)CNCc1sc2c(c1)CCC2	PC-id_103242949	237.318	JTWSIWLUYWXJHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023639
C=CCSc1ccc2n1CCC2C(=O)OC	PC-id_70450813,SCHEMBL10818497	237.318	VORPPJZEBKHQGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023640
C=CCSc1cn2c(c1)C(CC2)(C)C(=O)O	PC-id_70450017,SCHEMBL10815956	237.318	OLRBXQWBOVYXRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023641
C=CCSc1cn2c(c1)C(CC2)C(=O)OC	SCHEMBL10815950,PC-id_70450012	237.318	VJLYPOCYUMMMCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023642
COC(=O)/C=C/NCc1sc2c(c1)CCC2	PC-id_103242950	237.318	JBXKSGCWOUHMOB-AATRIKPKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023643
O=C1c2c(C)sc(c2C(=O)N1C(C)(C)C)C	PC-id_117982927,SCHEMBL16604950	237.318	BZQRXUAMHUWZQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023644
OC1CC(C1)NC(=O)c1sc2c(c1)CCC2	PC-id_65976001,EMOLS-id_41592452	237.318	FTUXREQCONAZID-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023645
OCC1(CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_115764890	237.318	KZKVSGAKEHASNY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023646
OCC1CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_41609708,PC-id_65992593	237.318	KVXDFSAVKUAOHA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023647
O=C(c1c(N)sc2c1C(C)OC2)C1CCC1	SCHEMBL2162393,PC-id_67300719	237.318	YVRZPBHCPMIRID-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023648
O=C(c1occ2c1CCC2)N1CCSCC1	EMOLS-id_102297339	237.318	BMXXMVROMFGOEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023649
O=C(c1sc2c(c1)CCC2)N1CCCCO1	PC-id_104104733,EMOLS-id_102600762	237.318	LWBRIPJQULLIMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023650
O=C(c1sc2c(c1)CCC2)N1CCCOC1	EMOLS-id_102385651	237.318	OTVCKSZOVWTAHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023651
O=C(c1sc2c(c1)CCC2)N1CCOCC1	EMOLS-id_102543465,PC-id_60644360	237.318	BTMHADIVGCJTOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023652
O[C@H]1CCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_41827946,PC-id_79031377	237.318	ZHYWQGNOGADTDO-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-023653
O=C(N1CC(C1)(C)O)c1sc2c(c1)CCC2	PC-id_65921307,EMOLS-id_41554894	237.318	LSIBHDBYJTYSGT-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023654
OC(=O)/C=C/CNCc1sc2c(c1)CCC2	PC-id_103242934	237.318	CLZSMNRZAPUUOX-GORDUTHDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023655
s1c2c(CCC2)cc1C(=O)N1C[C@H](O)CC1	PC-id_66291624	237.318	ZHYWQGNOGADTDO-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023656
s1c2c(CCC2)cc1C(=O)N1CC(O)CC1	PC-id_62916735	237.318	ZHYWQGNOGADTDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023657
s1c2c(C(NC3CC3)(CC2)CC(=O)O)cc1	PC-id_83842581	237.318	RVYWNLZHWAZMSG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023658
s1c(CNC(=O)CC(=O)C)cc2CCCc12	PC-id_61217923,MCULE-7529874421,EMOLS-id_38143803	237.318	ZOGSUIXNSDCAHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023659
c1(sc2c(CCC2)n1)NC(=O)C1CCNC1	MCULE-2384187812,PC-id_63006025	237.321	ZUAXWMYUKRSGOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023660
Cc1sc2c(n1)CN(C2)C(=O)N(C1CC1)C	MCULE-2160963723,EMOLS-id_320220087	237.321	RGGLGHPFWVJBJM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023661
C=CCC(C(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_315627426,PC-id_81776266	237.321	NWOPYVPMRKSTPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023662
C=CCNCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_42147156,PC-id_79280555	237.321	WUXWYUOXRWIWNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023663
COC1N(CC2=NCCN2)Cc2c1csc2	SCHEMBL9242431,PC-id_67804050	237.321	MZVJUWZDRGITNM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023664
COc1scc2c1CN(C2)CC1=NCCN1	PC-id_10220342,SCHEMBL9242657	237.321	DZIJQXSSPMLCAC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023665
NCC1(CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315677827,PC-id_115453272	237.321	IFBQZHXHNWTLMA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023666
O=C(c1c2c(CCC2)[nH]n1)N1CCSCC1	EMOLS-id_102303438,MCULE-2520707050	237.321	OUQUKMUAZXTECA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023667
O=C(C1(N)CCC1)Nc1sc2c(n1)CCC2	EMOLS-id_315260526,PC-id_81168772	237.321	QBSHKRYHNHQIKK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023668
O=C([C@H]1CCCN1)Nc1sc2c(n1)CCC2	PC-id_103794246	237.321	VIVJOBGNLUPWAJ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023669
O=C(N1CCCC1)Nc1sc2c(n1)CCC2	PC-id_115581865	237.321	BVXBYBVHEPCTCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023670
O=C(Nc1sc2c(n1)CCC2)CC1CNC1	PC-id_64612040,EMOLS-id_40648521	237.321	OKLZYABKTUCIDY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023671
O=C(Nc1sc2c(n1)CCC2)CNC1CC1	PC-id_61511965,EMOLS-id_38357813	237.321	PAIGVVYDECRKFP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023672
O=C(Nc1sc2c(n1)CCC2)NC1CCC1	PC-id_115617606	237.321	UREYLHWLDRTSQC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023673
s1c2c(CCC2)c(c1N=CN(C)C)C(=O)N	PC-id_24073043	237.321	SMSQBKMCZFIZMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023674
s1c2CCCc2nc1C(=O)N1CCNCC1	PC-id_82510951	237.321	ZLTPPCGEPHOSTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023675
s1c2CCCc2nc1NC(=O)C1NCCC1	PC-id_60711757	237.321	VIVJOBGNLUPWAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023676
s1c2CCCc2nc1NC(=O)[C@H]1NCCC1	PC-id_61511925	237.321	VIVJOBGNLUPWAJ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023677
S1c2n(nc(n2)CC2CCCCC2)C(=O)C1	PC-id_82358015	237.321	BYZSACLOONPIGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023678
S=c1snc2n1CCN2S(=O)(=O)C	NSC732634,PC-id_24204738	237.323	PMCJIHGBVBZUDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023679
s1c2CCCc2cc1C/N=C(/N=C(N)N)N	PC-id_83034331	237.325	UIBDAFALKBUCJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023680
o1c2c(CCC2)c(c1C(C)C)CNCCOC	PC-id_83610285	237.338	QRKROMJLUZKPCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023681
o1c2c(CCC2)c(c1CCC)CNCCOC	PC-id_83610357	237.338	XQUAQCWDSHKKDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023682
o1c2c(CCC2)c(c1COC)CNCCCC	PC-id_83610055	237.338	ICSLOXNNZGQNJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023683
o1c2c(CCC2)c(c1COC)CNCC(C)C	PC-id_83610056	237.338	LRBMTLQXYVUFTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023684
o1c2c(CCC2)c(CNC(CC)C)c1COC	PC-id_83610057	237.338	NVKHSXZBTHSHHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023685
C=C/C=CC(=C)n1/c(=C/C)/c(=CC)/c2c1CC=C2	PC-id_144543485	237.339	HJJBIWKCVRJSLU-YXJMSAHHSA-N	00000011100000000000000010000000000000000000000000000000	25-01-023686
n1(c2c(CCC2)cc1CC=C)Cc1ccccc1	PC-id_53387296	237.339	FPYZGSMADIALPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023687
CC1CCc2c1c(CO)nn2CCCN(C)C	MCULE-4980101465,EMOLS-id_331010292	237.341	JWDINWTZMATFHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023688
CC1CCc2nn(CCCN(C)C)c(CO)c12	MCULE-2212154720,EMOLS-id_330994356	237.341	QUOHLERLEDDTKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023689
CCC(n1nc2c(c1)CN(C2)C(C)(C)C)CO	SCHEMBL19498029	237.341	GJCUGEVUZMGDNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023690
CC(Cn1nc2c(c1)CN(C2)C(C)(C)C)(O)C	SCHEMBL13562714,PC-id_70937953	237.341	NFKGOZBSNBINQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023691
CC(CNc1[nH]nc2c1C(C)(C)OC2(C)C)C	PC-id_79927451,EMOLS-id_314446642	237.341	UURKHSHMZGWNSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023692
CCCNCc1nc2c([nH]1)C(OC2(C)C)(C)C	PC-id_79926986,EMOLS-id_315474471	237.341	CERDWRMIVYHSFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023693
CC(Nc1[nH]nc2c1C(C)(C)OC2(C)C)(C)C	PC-id_79927450,EMOLS-id_260613729	237.341	RAZIRUHXKKJGKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023694
CC(NCc1nc2c([nH]1)C(OC2(C)C)(C)C)C	EMOLS-id_314364620,PC-id_79927098	237.341	RHXQUNJZAQLWAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023695
CCC(NC(c1sc2c(c1)CCC2)C)(C)C	PC-id_115919223	237.404	SXBBFHDHTHYVJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023769
O=c1[nH]c2c(n1C(C)(C)C)CN(C2)C(C)(C)C	PC-id_122433996,SCHEMBL17953104	237.341	VOZKTXCFZCNCJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023696
c1nsc(n1)NCc1sc2c(c1)CCC2	PC-id_65276648,EMOLS-id_41143353	237.344	IXEWIWQEJIOGSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023697
n1csc(n1)NCc1sc2c(c1)CCC2	PC-id_64157570,EMOLS-id_40311387	237.344	JVGIRBCLUGANIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023698
NC(c1sc2c(n1)CCC2)c1nccs1	PC-id_104077735	237.344	XNIOZLLVDXJQDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023699
NC(c1sc2c(n1)CCC2)c1ncsc1	PC-id_116084179	237.344	WMFQCAQPYTWEOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023700
NC(c1sc2c(n1)CCC2)c1scnc1	PC-id_104077734	237.344	MBPSGKZJOATWGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023701
s1c2CCCc2nc1Cc1nc(sc1)N	PC-id_83295608	237.344	VNQZXEDSJXLAAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023702
CC1CCc2sc(N)c(C(=O)C(C)(C)C)c12	PC-id_65354895,EMOLS-id_41195979	237.361	LBQSMDMDRCPKSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023703
CC1(CCNCC1)Oc1cc2CCCc2s1	EMOLS-id_313872967,MCULE-6435347532	237.361	MTKIAYDYFQSIDZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023704
CC1(COC1)CNCc1sc2c(c1)CCC2	PC-id_64372404,EMOLS-id_40465853	237.361	ZNNMLRDXOFHXTR-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023705
CCC1CCc2sc(N)c(C(=O)C(C)C)c12	PC-id_116176052,EMOLS-id_337901612	237.361	KUCCQWYLWYLWHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023706
CC(C1(C(=O)Nc2c1ccs2)C(C)(C)C)C	SCHEMBL13054933,PC-id_57786414	237.361	MVSXVXYLLARAJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023707
CC(c1sc2c(c1)CCC2)NC1CCOC1	PC-id_115895775	237.361	FZUILJUQMQSDBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023708
CC(C)C(=O)c1c(N)sc2CCC(C)(C)c12	PC-id_79865008,EMOLS-id_42566905	237.361	USGPDBYUHJFPGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023709
CNC(c1sc2c(c1)CCC2)C1CCOC1	PC-id_115856387	237.361	PODLEJHDDMNAMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023710
COC1CC(C1)NCc1sc2c(c1)CCC2	PC-id_104871442	237.361	FLWKLAGKCMSGEN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-023711
NC(c1sc2c(c1)CCC2)C1CCCOC1	PC-id_107139049	237.361	ALKUXYMYIHJKJB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023712
NC(c1sc2c(c1)CCC2)C1CCOCC1	PC-id_115855792	237.361	WULDQWMRVSNPBX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023713
O1CCC(CC1)NCc1sc2c(c1)CCC2	EMOLS-id_38138581,PC-id_61208160	237.361	RLRJGEWCEDJNSZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023714
OC1(Cc2cc3CCCc3s2)CCCNC1	MCULE-1867665724,EMOLS-id_313795010	237.361	OEMNCLPXLWBHJU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023715
OC1(Cc2cc3CCCc3s2)CCNCC1	EMOLS-id_313791692,MCULE-1759525956	237.361	MEKFNSWYOLXPPD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023716
OCC1(CC1)NC(c1sc2c(c1)CCC2)C	PC-id_115929606	237.361	UNIUOROYBXPNHC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-023717
O=C(C(C)(C)C)NCc1sc2c(c1)CCC2	EMOLS-id_314247060,PC-id_61948244	237.361	QVFKOXPFNJXZAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023718
O[C@H]1CCC[C@@H]1NCc1sc2c(c1)CCC2	PC-id_102733194	237.361	WKUDMTUGSWRWQR-RYUDHWBXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023719
O[C@@H]1CCC[C@H]1NCc1sc2c(c1)CCC2	PC-id_102733195	237.361	WKUDMTUGSWRWQR-VXGBXAGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023720
s1c2c(CCC2)cc1CNC1CCCOC1	PC-id_64174304	237.361	DYSFXUOZSQHFFS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023721
s1c2c(CCC2)cc1CNC1C(O)CCC1	PC-id_61207980	237.361	WKUDMTUGSWRWQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023722
s1c2c(CCC2)cc1CNCC1CCOC1	PC-id_61207768	237.361	XQTNBYQROYLIPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023723
s1c2c(CCC2)cc1CNCC1OCCC1	PC-id_60985719	237.361	OESIUAAZDVUUIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023724
s1c2c(CCC2)cc1C(=O)NC(CC)(C)C	PC-id_37150550	237.361	VALZGYVWRXPNPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023725
s1c2c(CCC2)cc1C(=O)NC(C(C)C)C	PC-id_51186119	237.361	ZCVWHHYWHGLYRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023726
C1CCC(CC1)CNc1n[nH]c2c1CSC2	SCHEMBL13493844,PC-id_70919600	237.364	FIGLSFVVTXTOSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023727
CC1CC(c2n1ccn2)NC1CCSCC1	EMOLS-id_102568310	237.364	PTLHITGLSMJLSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023728
CC1NCCN(C1)Cc1sc2c(n1)CCC2	PC-id_115903805	237.364	UHZQESUCKMKRNI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023729
CCc1scc2c1C[N@H+](C2)CC1=[NH+]CCN1	GLL_PC-id_10220312	237.364	MBAVNVWYHBJILQ-UHFFFAOYSA-P	00000011100000000001000010000000000000000000000000000000	25-01-023730
C[C@@H]1NCCN(C1)Cc1sc2c(n1)CCC2	PC-id_103918008	237.364	UHZQESUCKMKRNI-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-023731
C[C@H]1NCCN(C1)Cc1sc2c(n1)CCC2	PC-id_103918022	237.364	UHZQESUCKMKRNI-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023732
CN1Cc2c(C1)c(sc2)CN1CCNCC1	PC-id_96593358	237.364	ZPWORXCYTAKQMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023733
CN1CCC(C1)NCc1sc2c(n1)CCC2	PC-id_115887418	237.364	MXMDFLOQYLFNPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023734
Cn1ncc2c1CN(C2)CC1(C)CCCS1	MCULE-6549818956,EMOLS-id_313172038	237.364	FOECKGBJFJNACW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023735
Cn1ncc2c1CN(C[C@@]1(C)CCCS1)C2	ZINC22_639319282	237.364	FOECKGBJFJNACW-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023736
Cn1ncc2c1CN(C[C@]1(C)CCCS1)C2	ZINC22_639319291	237.364	FOECKGBJFJNACW-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023737
CNCc1c2CSCc2nn1CC1CCC1	MCULE-2914554144,EMOLS-id_324397917	237.364	NHYMAMGGOYKCGD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023738
s1c2CCCc2cc1C(=NC(C)(C)C)NN	PC-id_61362525	237.364	CEWYBHCRRNHYHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023739
s1c2CCCc2cc1C/N=C(/NCCC)N	PC-id_62361788	237.364	PTNGKVSHWKFENP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023740
s1c2CCCc2cc1C/N=C(/NC(C)C)N	PC-id_62361789	237.364	DZCATQXVBLGHQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023741
s1c2CCCc2nc1CCN1CCNCC1	PC-id_28750236	237.364	NUWCJFXSAYTDEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023742
s1c(nc2c1CCC2)C(N1CCNCC1)C	PC-id_63342506	237.364	ZZMVFIWYPCEGHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023743
CCCc1sc2c(c1C(CNC)C)CCC2	PC-id_68334768,SCHEMBL12644148	237.404	VHGVYRVELDZTEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023744
CCC(C(c1sc2c(c1)CCC2)NC)CC	PC-id_105013719	237.404	ZMIVSOSJQFUCGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023745
CCC(CC(c1sc2c(c1)CCC2)N)CC	PC-id_105028034	237.404	BCVAWENZENSOAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023746
CCCC(C(c1sc2c(c1)CCC2)NC)C	PC-id_107893566	237.404	BWVJEEHOKKNXGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023747
CCCCC(c1sc2c(c1)CCC2)NCC	PC-id_115833022	237.404	IMGHFUIQEDVNRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023748
CCC(CC(c1sc2c(c1)CCC2)NC)C	PC-id_115846065	237.404	QLLUGQBHOKYRBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023749
CC(CCCC(c1sc2c(c1)CCC2)N)C	PC-id_105028603	237.404	ZDYYZSRSOMCYEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023750
CCCCCC(c1sc2c(c1)CCC2)NC	PC-id_115836965	237.404	XMBUKZIVLYIPGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023751
CCCC(CC(c1sc2c(c1)CCC2)N)C	PC-id_115845286	237.404	RNHLVVYYDQIBEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023752
CCCCCCC(c1sc2c(c1)CCC2)N	PC-id_115833246	237.404	IEPYUVJZIMXOOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023753
CCC(C(C)C)NCc1sc2c(c1)CCC2	EMOLS-id_38138597,PC-id_61207033	237.404	JZDXMPXECLPFKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023754
CCCCCCNCc1sc2c(c1)CCC2	PC-id_61209137,EMOLS-id_38138573	237.404	INRQRBGWDYDSHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023755
CC(C(C)C)NC(c1sc2c(c1)CCC2)C	PC-id_115707226	237.404	ZASLORDUNZDNBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023756
CCCCC(NCc1sc2c(c1)CCC2)C	PC-id_61207032,EMOLS-id_38138595	237.404	ZPNOKCSQYWLGLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023757
CCCC(CNCc1sc2c(c1)CCC2)C	PC-id_61207963,EMOLS-id_38138561	237.404	USPMPUPYVJWBJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023758
CC(CCCNCc1sc2c(c1)CCC2)C	PC-id_83156851,EMOLS-id_260940526	237.404	LPXVQZFZCQNGNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023759
CCC(CNCc1sc2c(c1)CCC2)CC	EMOLS-id_38138519,PC-id_61209316	237.404	IHFKKAVOEIBCNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023760
CC(CC(NCc1sc2c(c1)CCC2)C)C	EMOLS-id_38138527,PC-id_61207579	237.404	BZWDRMGZHLUJRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023761
CCCC(NCc1sc2c(c1)CCC2)CC	PC-id_108418975	237.404	UHFSRARORVWLDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023762
CCCC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115704127	237.404	RAPSMEJOTUMYFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023763
CC(CCNC(c1sc2c(c1)CCC2)C)C	PC-id_115705282	237.404	NUXUQEFRYZGKNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023764
CCCNCc1csc2c1C(C)CC2(C)C	PC-id_106664692	237.404	PBCVXOADPORPCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023765
CCCNC(c1sc2c(c1)CCC2)C(C)C	PC-id_114978394	237.404	SDJRDLBOCJOTLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023766
CCCNC(c1sc2c(c1)CCC2)CCC	PC-id_114982059	237.404	RGCZUBAAAGAHFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023767
CCC(NC(c1sc2c(c1)CCC2)C)CC	PC-id_115705014	237.404	DUJXLMQQLJCHIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023768
CC(NCc1csc2c1C(C)CC2(C)C)C	PC-id_106664693	237.404	YCUMKNFVWJNYLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023770
CCNC(c1sc2c(c1)CCC2)C(CC)C	PC-id_105017582	237.404	LYTNFDCYYLCNFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023771
CCNC(c1sc2c(c1)CCC2)CC(C)C	PC-id_115782849	237.404	LUSCBCGBZVKDSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023772
CCNC(C(C)(C)C)c1sc2c(c1)CCC2	PC-id_115854456	237.404	CWXGRWMDMNFVHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023773
CNC(c1sc2c(c1)CCC2)CCC(C)C	PC-id_115834058	237.404	VDWCMFZLUZCHNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023774
NC(c1sc2c(c1)CCC2)CCC(C)(C)C	PC-id_115849785	237.404	ZXRBWBJXBIZFOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023775
s1c2c(CCC2)cc1CNC(C(CC)C)C	PC-id_61208159	237.404	ANAKHGPPQLMSTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023776
s1cc2CN(CCCCCCCC)Cc2c1	PC-id_86003738	237.404	MSGZIJWUYZCQMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023777
s1c(CNCCC(C)(C)C)cc2CCCc12	MCULE-2355516172,EMOLS-id_38138621,PC-id_61206678	237.404	HBZJTXGPHOIBQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023778
Brc1sc2CCCc2c1Cl	PC-id_84798816	237.545	YYFBUIYMNFMTME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023779
Clc1c2S(=O)(=O)N(C(=O)c2sc1)C	PC-id_16639978	237.684	QQMUYVIUILEXGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023780
ClS(=O)(=O)c1sc2c(CNC2=O)c1	PC-id_83670615	237.684	BBAZQDGYHVMLTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023781
CN1C(=O)c2sc(Cl)cc2S1(=O)=O	MCULE-3277019077,EMOLS-id_324490669	237.684	TZBWIXZWPHZTEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023782
FC(CNC1CCc2c1cc(s2)Cl)F	EMOLS-id_266554488	237.697	DWGMQDMVULAREA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023783
CCC(=C(c1sc2c(c1)CCC2)Cl)C#N	EMOLS-id_38580983,PC-id_76922416	237.748	UPPRZPYREGFDJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023784
Cl/C(=C(CC)/C#N)/c1sc2CCCc2c1	PC-id_61777512	237.748	UPPRZPYREGFDJA-XYOKQWHBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023785
[Se]1=Nc2c(N=1)n[se]n2	PC-id_122227549	237.968	XQQXXSNWUYNEHO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023786
n12CC(Cc1c(c(Br)n2)N)(F)F	EMOLS-id_320440085,MCULE-4241727755	238.033	ISYCDRWOUAHMES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023787
CC(=O)C1=C([N+](=C2N1C(CS2)CC#N)C)O	PC-id_164805951	238.064	PXDVXTOQASKZNW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-023788
CC1(C2=C(CN1C(=O)[O-])C(=NN2C(=O)[O-])N)C	PC-id_153725373	238.071	MKRLALIDBFWYJS-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-023789
CC1(C2=NN(C(=C2CN1C(=O)[O-])N)C(=O)[O-])C	PC-id_154484768	238.071	IBUFBJFENDFUOS-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-023790
CC(C)(C)C(=O)NC1=NC2=C(S1)C(=NC2)N	PC-id_160220199	238.089	UGRDWRIBAUUYEM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023791
CC(C)(C)C(=O)NC1=NCC2=C1SC(=N2)N	PC-id_160349774	238.089	UATMOFFNVQTNHZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-023792
Clc1c2NC(Cc2sc1Cl)C(=O)O	SCHEMBL3328630,PC-id_68598033	238.091	IMESLFUPCJEYQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023793
Clc1sc(c2c1C(=O)[C@@H]([C@H]2N)O)Cl	CoCoCo_5726727	238.091	ASLSLSPCMXBOAF-WVZVXSGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023794
Clc1sc(c2c1C(=O)[C@H]([C@@H]2N)O)Cl	CoCoCo_5726729	238.091	ASLSLSPCMXBOAF-WUJLRWPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023795
Clc1sc(c2c1C(=O)[C@H]([C@H]2N)O)Cl	CoCoCo_5726730	238.091	ASLSLSPCMXBOAF-UCORVYFPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023796
Clc1sc(c2c1C(=O)[C@@H]([C@@H]2N)O)Cl	PC-id_10444191,CoCoCo_5726728	238.091	ASLSLSPCMXBOAF-NQXXGFSBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023797
Clc1sc(Cl)c2c1C(N)C(O)C2=O	PC-id_378802	238.091	ASLSLSPCMXBOAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023798
OC(=O)C1Cc2c(N1Cl)cc(s2)Cl	PC-id_139886200	238.091	XPHHHFBMVLPBIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023799
OC(=O)C1(Cl)Cc2c(S1)[nH]cc2Cl	PC-id_140433582	238.091	AYDWCOAGAXUCHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023800
C1CC1COCC2CN3C(=CC(=N3)C(=O)O)O2	PC-id_151411600	238.095	OYQHCBWASQHOFJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023801
C1CC1COCC2CN3C=C(N=C3O2)C(=O)O	PC-id_150110035	238.095	DXAXCEDFPQALLR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023802
CCOC(=O)N1CC2=C(ON=C2C1)N=C(C)N	PC-id_154354804	238.107	DXDVGHPDLTYYJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023803
CCN1CC2=C(C1=O)N(N=C2)C/C(=C/F)/CN	PC-id_154637432	238.123	ZKBSPXOEFWCDQY-FPYGCLRLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023804
CCN1CC2=CN(N=C2C1=O)C/C(=C/F)/CN	PC-id_154988988	238.123	WMZKSQCWXHETCY-FPYGCLRLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023805
Brc1n(nc2NSSc12)C	PC-id_86134272	238.129	VHJMPYQGKDUVKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023806
Brc1n(nc2SNSc12)C	PC-id_70378425	238.129	YVLZDFMVTLSEBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023807
CC(C)(C)OC(=O)N1C=C2C(COC2=C1)CN	PC-id_148984306	238.132	PWJCISWMMXFUOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023808
NC(=O)c1c2N(F)CCn2nc1C(F)(F)F	SCHEMBL18758771	238.142	BFTWDFZYAZXUAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023809
C[Si](C)(C)CCOCN1C=NC2=C1CCC2	PC-id_151381683	238.15	OSNSAJWTCXQGOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023810
c12CN(Cc1nn(CCF)c2C#N)C(=O)OC	MCULE-2664431363,EMOLS-id_324355433	238.218	OJBBLVCWIMVURK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023811
o1c2c(CCC2)c(c1CC(=O)OC)C(=O)OC	PC-id_12393927	238.237	VOTXMFDXAOLOCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023812
c1(C(=O)O)c2C(C)CCc2n(CC(=O)OC)n1	MCULE-8330295168,EMOLS-id_330989306	238.24	VKVLAZWIVZBBQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023813
c1(C(=O)OC)c2C(C)CCc2n(CC(=O)O)n1	MCULE-9934654827,EMOLS-id_330993905	238.24	PVEGNJOENIFRQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023814
CCC1(CC)C(=O)n2n(C1=O)c(=O)cc2OC	PC-id_121224900	238.24	XKQNXEMPMNXFTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023815
CCOC(=O)c1nn(CC(=O)O)c2CCCc12	EMOLS-id_324131013	238.24	RACZIGTUFPMTRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023816
COC(=O)c1c2C(C)CCc2nn1CC(=O)O	MCULE-3843234617,EMOLS-id_330981041	238.24	LNHOKIUMJYHNIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023817
COC(=O)Cn1nc2CCC(C)c2c1C(=O)O	MCULE-2707865811,EMOLS-id_330969532	238.24	DVRWNYJEZFAKQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023818
O1C(n2c(C1=O)c(nc2)C(=O)OCC)(CC)C	PC-id_12610351	238.24	ZILUURFZUDSVML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023819
O(C(C)(C)C)C(=O)N1Cc2c(noc2C=O)C1	PC-id_83866801	238.24	UFWOBRMIPZQAKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023820
O(C(C)(C)C)C(=O)N1Cc2c(onc2C=O)C1	PC-id_83866821	238.24	URENSJDOVGYCGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023821
OC(=O)CC(CC(=O)O)c1n[nH]c2CCCc12	MCULE-1379917965,EMOLS-id_313868881	238.24	YDZDZUYAKHQUNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023822
c1ccc(cc1)Cn1c2c(C=C=C2)c(n1)C(=O)O	PC-id_89375084,SCHEMBL14598340	238.241	MAEWDLCADAWMFY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-023823
c1(C(C)NC(=O)CC(=O)O)nnc2CCCn12	EMOLS-id_38855965,MCULE-6247106570,PC-id_62232110	238.243	MJFSXMSHGKBLLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023824
CCOC(=O)c1c(NC(=O)N)nc2n1CCC2	CHEMBL1532884,CoCoCo_6205998,PC-id_5303299	238.243	JODOECXGXMBMQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023825
CCOC(=O)NCC(=O)N1CCn2c1ncc2	EMOLS-id_279043939	238.243	FWLPONPHUFHKIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023826
CN(C)C(=O)CNC(=O)c1nn2CCOc2c1	PC-id_91959783	238.243	YCNOVVZTQLNDRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023827
CNC(=O)CCNC(=O)c1nn2CCOc2c1	PC-id_91959836	238.243	LTQIDQRJJHKDLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023828
CNC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319539202	238.243	PTGRANQQICEPNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023829
O1C(CN2CCCC2)Cn2c1c(nc2)[N+](=O)[O-]	PC-id_85676487	238.243	CFBXKNBTNCZVDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023830
O=C(N(Cc1n2CCCc2nn1)C)CC(=O)O	EMOLS-id_38855417,PC-id_62231287	238.243	GBYICUNZBMZXOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023831
O=C(NCc1n2CCCc2nn1)C(C)C(=O)O	PC-id_75770534	238.243	ITSJLQXEFOHYSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023832
O=C(NCc1n2CCCc2nn1)[C@H](C)C(=O)O	PC-id_52024807	238.243	ITSJLQXEFOHYSQ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-023833
O=C(NCc1n2CCCc2nn1)[C@@H](C)C(=O)O	PC-id_52024809	238.243	ITSJLQXEFOHYSQ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023834
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)NC	PC-id_58440763,SCHEMBL12307397	238.246	FFZINVKUPOULDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023835
F[C@@H]1COC[C@@H]1NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319101852	238.258	GYWFTVZIPSTVJY-KCJUWKMLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023836
CCOC(=O)C(=O)C1Cc2c(C1=O)scc2	PC-id_67528645,SCHEMBL2772534	238.26	YYJHMMFJHCBWMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023837
s1c2c(C(=C(C2)C(=O)O)C)c(c1C(=O)O)C	PC-id_18714349	238.26	VZBCFWLMISGUAR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-023838
c1(C(=O)NC2CC2)c2CNCc2nn1CCF	EMOLS-id_324355940,MCULE-6648471904	238.261	AISQICYTBRHVNX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023839
FC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	MCULE-4707525083,EMOLS-id_319892175	238.261	IPAXIRAIYALEMJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023840
O=C(c1cc2c([nH]1)C=C[CH]2)OCc1ccccc1	SCHEMBL17339165	238.261	MXNFRDCFUFFVSV-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-023841
OC(=O)C=CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357075,PC-id_61509082	238.263	HIKJPYMDFRCTGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023842
s1c2CCCc2nc1NC(=O)/C=C/C(=O)O	PC-id_82236970	238.263	HIKJPYMDFRCTGW-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023843
n12ncnc1sc(=CN1CCOCC1)c2=O	MCULE-4944180098	238.266	HJWOGNZXKNBWNJ-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-023844
O=c1/c(=C/N2CCOCC2)/sc2ncnn12	PC-id_117588317,ZINC22_256055450	238.266	HJWOGNZXKNBWNJ-ALCCZGGFSA-N	00000000100010000001000010000000000000000000000000000000	25-01-023845
c1(C(=O)O)c2C(C)CCc2n(CC(CC)O)n1	EMOLS-id_330986747,MCULE-1162285840	238.283	PBPBOWLZDKKZRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023846
c1(C(=O)O)c2C(C)CCc2nn1CC(CC)O	MCULE-4980808085,EMOLS-id_330971068	238.283	MYLLOZFGHUVBNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023847
c1(C(=O)OC)c2C(C)CCc2n(CCCO)n1	MCULE-1931253710,EMOLS-id_330996721	238.283	LBRIQXJDEUCTGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023848
c1(C(=O)OC)c2C(C)CCc2nn1CCCO	MCULE-1070230295,EMOLS-id_330979762	238.283	RABCZOKBPGQNCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023849
CC(OCCOC(=O)C1CCc2n1cnc2)C	PC-id_140310284	238.283	UAOMDZZDJXXEQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023850
CCOC(=O)Cn1nc2CCC(C)c2c1CO	EMOLS-id_330997683,MCULE-7620452401	238.283	VHIRSAHMJOMIMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023851
CCOC(=O)Cn1nc(CO)c2C(C)CCc12	EMOLS-id_331013619,MCULE-1870713657	238.283	JOKSVZFCSRQLSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023852
COC(C(=O)O)C(C)(C)c1n[nH]c2CCCc12	EMOLS-id_313876817,MCULE-5470079370	238.283	LIHHJCIVMMRPSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023853
COC(=O)C(O)C(C)(C)c1n[nH]c2CCCc12	MCULE-8039800746,EMOLS-id_313879121	238.283	ZOJHBQHTMSPEJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023854
o1c2CN(Cc2cc1CN)C(=O)OC(C)(C)C	PC-id_84799210	238.283	ZOXNXSHINBGYJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023855
o1nc(c2C(CCc12)(CC(=O)O)CN)C(C)C	PC-id_83912360	238.283	QOWLLVXHMCFZLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023856
OC1(c2c(nn(c2C(C)C)C)CC1)CC(=O)O	PC-id_83912361	238.283	NDPJUPWEAAURLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023857
OC1(c2c(n(nc2C(C)C)C)CC1)CC(=O)O	PC-id_83912362	238.283	IALUILVCYBJCDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023858
O=C1c2n(CC1=CNc1ccc(cc1)C)ccc2	PC-id_78590836	238.284	DBMRMXBNRWNHBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023859
O=C1c2n(C/C/1=C/Nc1ccc(cc1)C)ccc2	PC-id_7997009	238.284	DBMRMXBNRWNHBD-XFXZXTDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-023860
c12CN(Cc1nn(C)c2CN(C)C)C(=O)OC	MCULE-5359669146,EMOLS-id_324353637	238.286	KPZHUIJSKNPKBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023861
c12CN(Cc1nn(CC)c2CNC)C(=O)OC	EMOLS-id_324350562,MCULE-4415456387	238.286	STOPUDIJHWFLFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023862
c12CN(Cc1nn(C(C)(C)C)c2N)C(=O)OC	EMOLS-id_324339557,MCULE-6584589595	238.286	MHXKPJZQKZDRFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023863
Cc1c2n(CCO2)nc1C(=O)NCCN(C)C	PC-id_91959957	238.286	SZCYZINMROLEHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023864
CC1N(Cc2c(N)n[nH]c12)C(=O)OC(C)(C)C	EMOLS-id_316170336,MCULE-8789671807,EMOLS-id_320452138,PC-id_72210917	238.286	BXCWXKSMKKEXCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023865
CC(C)(C)OC(=O)C1Cc2nnc(CN)n2C1	EMOLS-id_330981893	238.286	SXKOSEDZWLNCNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023866
CC(C)(C)OC(=O)N1Cc2[nH]nc(CN)c2C1	EMOLS-id_44478096,MCULE-1383679244,EMOLS-id_262582694,SCHEMBL19358421,PC-id_71306017	238.286	VUAROUNWMIIYKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023867
CCC(C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_113292529	238.286	DDEBBKLUNAMXNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023868
CC(CN(NC(=O)c1n[nH]c2c1CCC2)C)O	EMOLS-id_278913658	238.286	IIVGRINNBXEPMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023869
CCn1c(nc2c1CN(C2)O)C(=O)NC(C)C	SCHEMBL17380103,PC-id_118613847	238.286	HMVBVAIUWBLMSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023870
CCOC(C(=O)NCc1nnc2n1CCC2)C	MCULE-5516489903,EMOLS-id_45751242,PC-id_71896079	238.286	QUHGRTGRSSJUCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023871
CCOCC(=O)NC(c1nnc2n1CCC2)C	PC-id_60763984,EMOLS-id_315269350	238.286	HHIBZPFKJZXHIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023872
CCO[C@H](C)C(=O)NCc1nnc2n1CCC2	PC-id_97100323,ZINC22_89984939	238.286	QUHGRTGRSSJUCG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023873
CCO[C@@H](C)C(=O)NCc1nnc2n1CCC2	ZINC22_89984938,PC-id_97100322	238.286	QUHGRTGRSSJUCG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023874
CCOC(=O)n1nc2c(c1NC)CNC2(C)C	SCHEMBL19312194	238.286	RKOQMWIZSULHMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023875
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C	PC-id_59768154,SCHEMBL13906160	238.286	SIRQJNJMNOYFSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023876
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C)N	SCHEMBL10084846,PC-id_59768167	238.286	VDMJDMRPZYCYGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023877
Cn1c2c(CN(C(=O)OC(C)(C)C)C2)c(N)n1	PC-id_83850986,EMOLS-id_259606431,MCULE-7927822684,ZINC22_211578179	238.286	BGPAUQFUQRYHED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023878
Cn1nc2CN(Cc2c1N)C(=O)OC(C)(C)C	PC-id_71647969,SCHEMBL19358320,EMOLS-id_324086231	238.286	ODIVUTYLRSRFNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023879
CNc1n[nH]c2CN(Cc12)C(=O)OC(C)(C)C	MCULE-5769312400,PC-id_83866730,EMOLS-id_259606419,EMOLS-id_313739403	238.286	VUMVKPSGAKMPMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023880
CN(C)CCCNC(=O)c1nn2CCOc2c1	PC-id_91959846	238.286	OJORFUVVIXTJOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023881
CN(C(=O)C1NCc2c1c[nH]n2)CCC(O)C	EMOLS-id_319068177	238.286	SSVQKRBQUYXEAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023882
COCC(C(=O)Nc1n(C)nc2c1CCC2)N	PC-id_121749938,MCULE-4542728594,EMOLS-id_303021295	238.286	VRXBWZUBYQITCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023883
COC(C(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_113226420	238.286	UYGSHRRDSYPPMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023884
COC(C(=O)NC(c1nnc2n1CCC2)C)C	PC-id_113227224	238.286	GGYGAXZNXXAVRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023885
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)CN	PC-id_83949397	238.286	WGIOQMJOOXDHQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023886
O(C(C)(C)C)C(=O)NC1CCc2c1[nH]nc2N	PC-id_83919283	238.286	YPOZJDHIIHUKRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023887
O(C(C)(C)C)C(=O)NCc1n2CCCc2nn1	PC-id_72942396	238.286	VYLYJDNZXYNCAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023888
OCCCC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_314837860,PC-id_79204890	238.286	ZYCSCFWSPQKOBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023889
OCCCC(=O)NC(c1nnc2n1CCC2)C	PC-id_79205075,EMOLS-id_314456832	238.286	KESFZPYGCOKHKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023890
OC[C@H](C(C)C)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320032698,MCULE-2117970013	238.286	MBQSGWXGTUUVCL-YHMJZVADSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023891
O(CC(=O)N(Cc1n2CCCc2nn1)C)CC	PC-id_60763937	238.286	QYROTBJWKCBKDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023892
OC(=O)CC(C(C)C)c1nnn2c1N(CC2)C	PC-id_83898090	238.286	QTHIJMKDDWHYGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023893
O(C(=O)C(NC(c1n2CCCc2nn1)C)C)C	PC-id_66172729	238.286	PAZLRVLZANQCKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023894
O(C(=O)N1C(c2c([nH]nc2N)C1)C)C(C)(C)C	PC-id_83850987	238.286	HOKAMGCLGNUKTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023895
ON1Cc2c(C1)nc(n2C(C)C)C(=O)N(C)C	PC-id_118613898,SCHEMBL17380156	238.286	XOSUVCREPWHLJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023896
n12N=CC(=Nc3ccc(cc3)C)c1nc(c2C)C	PC-id_58621691	238.288	AELJLBQSCPUSDD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-023897
S(c1c2n(c(N)c1C#N)C(=S)NC2=O)C	PC-id_11746684	238.289	LDKVTQVBNKHZCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023898
CN/N=C(/c1nc2c(n1C(C)C)CN(C2)O)N	PC-id_144979389	238.29	MGTSZJSCYVHDGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023899
O=CN(Cc1c2CC(Cn2c(c1C)F)(C)C)C	SCHEMBL19314605	238.301	MUAKWOYZAMUEJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023900
CC(Cc1sc2c(c1)C(=O)CC2C(=O)O)C	SCHEMBL10741615,PC-id_13588844	238.303	KPSCCPFCLPEIPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023901
CCC[C@@H]1[C@@H](C(=O)OC)C(=O)c2c1ccs2	PC-id_101426563	238.303	DSWXNLWLVDEBOL-IONNQARKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023902
CCC[C@@H]1[C@@H](C(=O)OC)C(=O)c2c1scc2	PC-id_101426556	238.303	CIVIOQJTYFWKDJ-VXNVDRBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023903
CC(C)(C)OC(=O)C1Cc2c(C1=O)ccs2	PC-id_134860072	238.303	KVKCZNAYLIEULR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023904
CC(C)(C)OC(=O)C1Cc2c(C1=O)scc2	PC-id_134849560	238.303	MUZHCIFGYBYVQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023905
CC(C)(C)OC(=O)C1Cc2cscc2C1=O	PC-id_134860189	238.303	RPULQIOSCGAOOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023906
CCOC(=O)c1sc2c(c1)C(=O)C(C2)(C)C	PC-id_58539987,SCHEMBL9984897	238.303	AMURQWSIELJOGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023907
CCOC(=O)/C(=C/O)/C1CCc2c1scc2	SCHEMBL19984890,PC-id_134358139	238.303	FAUXABXBGRZCBM-JXMROGBWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023908
s1c(C(C)(C)C)c2CCC(=O)c2c1C(=O)O	PC-id_82621586	238.303	BYZQVPSANLCPAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023909
S1(=O)(=O)C(c2c(C1CC=C)coc2)CC=C	PC-id_85626784	238.303	RMMPACUOCGHYPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023910
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)N	MCULE-4854412351,CHEMBL1601324,ChEMBL-DNDi_CHEMBL1601324,PC-id_3000134,EMOLS-id_1257378,SCHEMBL8289412,BAS-00662175,ZINC22_4144110,SPECS-id_AN-153/KC16195,SPECS-id_AE-848/36315061,CoCoCo_112003	238.306	ZYDMQXKCDBWAEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023911
CC1CC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288625	238.306	UAYZFLRGUHCLRL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023912
CNC(=O)c1c(NC(=O)C)sc2c1CCC2	CoCoCo_2590237,PC-id_7474966	238.306	WDFFWTRGVBRKEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023913
CO/N=C
/c2ccsc2C(=O)N1C(C)(C)C	PC-id_122388663	238.306	NPKHKQIBTFWNQV-XFXZXTDPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023914
O=C(C1OCCC1)Nc1sc2c(CCC2)n1	MCULE-3078128406,PC-id_5057982,EMOLS-id_21379053	238.306	RXIISOFRLGYNMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023915
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCO1	PC-id_40805445,CoCoCo_4164181,ZINC22_8737694	238.306	RXIISOFRLGYNMD-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023916
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCO1	PC-id_40805446,CoCoCo_4164182,ZINC22_8737695	238.306	RXIISOFRLGYNMD-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023917
OC(=O)C1CCc2c1nc(s2)N(C1CC1)C	PC-id_104287804	238.306	LHAICCFJYLGNFK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023918
OC(=O)C1CCc2c1nc(s2)NC1CCC1	PC-id_104288634	238.306	IXLRPTMNLOFAFB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023919
OC(=O)C1CCc2c1nc(s2)NC1(C)CC1	PC-id_116196541	238.306	KJDUCMJWTYGVLC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023920
OC(=O)C1CCc2c1nc(s2)NCC1CC1	PC-id_104287478	238.306	KDPUGWUUCZWOOD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023921
s1c2CCCc2cc1C(=O)N(CC(=O)N)C	PC-id_53503806	238.306	YYMRGVPQZIRCKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023922
s1c2CCCc2cc1C(=O)NNC(=O)CC	PC-id_27684415	238.306	NALUFCSSCZUDGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023923
s1c2CCCc2nc1NC(=O)CCC(=O)C	PC-id_60721466	238.306	ONRJWJKHYZQFNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023924
S1Cc2c(onc2C1)NC(=O)C1CCCC1	PC-id_49720069	238.306	IOIIVLNJLZGSIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023925
s1c(N(C2CC2)CC(=O)O)nc2c1CCC2	PC-id_83842780	238.306	GNKOSWIVBPOKNS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023926
c1(C(=O)N2CCSCC2)[nH]nc2CNCc12	PC-id_97619436,EMOLS-id_323943105,MCULE-8850635937,ZINC22_96516098,EMOLS-id_49188871	238.309	HAEVEVIILMTFNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023927
c1(nnc2SCCn12)NC(=O)C1CCCC1	EMOLS-id_16349337,MCULE-4094096924,PC-id_22582930,CoCoCo_2590458,ZINC22_16890263	238.309	BQOYNWDBVCGSMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023928
CCCNCc1noc2c1C(C)(C)OC2(C)C	EMOLS-id_315484617,PC-id_80462974	238.326	DORFWOCBFGRMPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023929
CC(NCc1noc2c1C(C)(C)OC2(C)C)C	PC-id_80462311,EMOLS-id_315482571	238.326	TZXLOPHTBBUMEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023930
COCCNCc1noc2c1C(C)(C)CC2C	PC-id_106664548	238.326	VOWQILQDTCANQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023931
OCC(n1ccc2c1CN(C2)C(C)(C)C)CO	SCHEMBL19498086	238.326	COSZVPFBROJHCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023932
C1Cc2c(C1)sc(c2C#N)NC(=O)CS	SCHEMBL5805290,PC-id_87894393	238.329	INFNYTNYIVVBLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023933
Cc1oc(c2c1CCS2)Nc1nccs1	PC-id_53812795,SCHEMBL10740327	238.329	FQFYAFXOPMYOON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023934
CCCC(CNC1CC(n2c1ncn2)C)(O)C	EMOLS-id_320089347,MCULE-5251920144	238.329	YXWDOOMSUQZFBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023935
CCOC(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_316585186	238.329	IIYDUGPPKCELNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023936
CCOCC(NC(c1nnc2n1CCC2)C)C	PC-id_104646646	238.329	RQOFKVLBINRMRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023937
COCC(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_319554901	238.329	MYMCREPJMVCGAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023938
COCC(CNC(c1nnc2n1CCC2)C)C	PC-id_116501133	238.329	LACXNJOLBIRGPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023939
COC(C(NC(c1nnc2n1CCC2)C)C)C	PC-id_116160320	238.329	NVYCEFMEFGMVAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023940
COCCNCCNCc1n[nH]c2c1CCC2	PC-id_113405501	238.329	GFUYHDRLWGPXME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023941
OCC(C(C)C)CNC1CC(n2c1ncn2)C	EMOLS-id_319994602,MCULE-5729718810	238.329	NSCSPIDUDXLOOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023942
OCCC(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_279083407	238.329	RGYIVRJJQFDFHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023943
O(CCC(NC(c1n2CCCc2nn1)C)C)C	PC-id_61871907	238.329	YIIKBBPZCMBZEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023944
OCC(CNC(c1n2CCCc2nn1)C)(C)C	PC-id_81411028,EMOLS-id_315617965	238.329	YASWPUDSDKFMJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023945
O(CC(NC(c1n2CCCc2nn1)C)CC)C	PC-id_64397232	238.329	VRZFJHFHFKEMMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023946
OC(C(NC(c1n2CCCc2nn1)C)C)(C)C	PC-id_65338251	238.329	OYODMWLYMBCCGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023947
n1csc(n1)NCc1sc2c(n1)CCC2	PC-id_115924530	238.332	YRMHDPKSIOLHMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023948
s1c2CCCc2nc1/N=C(/SC)NC#N	PC-id_80488778	238.332	STXIMOVPFGAEKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023949
CC(C1Cc2c(C1)cc(s2)C(C(=O)O)C)C	PC-id_21317968,SCHEMBL11530762	238.346	LFCDMIYQEXUWLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023950
CCOC(=O)c1csc2c1C(C)CC2(C)C	PC-id_106664681	238.346	VDEAIDZDGARHJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023951
COCCC(C(=O)c1sc2c(c1)CCC2)C	PC-id_115807502	238.346	ZNIHVFKNDUMBBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023952
O=C(c1csc2c1C(C)CC2)OC(C)(C)C	PC-id_114748285	238.346	CQAGOWHQEHWOKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023953
OC(c1sc2c(c1)CCC2)C1CCCOC1	PC-id_107139500	238.346	FADLNCGLXRLBOX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023954
OC(c1sc2c(c1)CCC2)C1CCOCC1	PC-id_115797619	238.346	YAKWEUHIAWCBGT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-023955
OC(=O)Cc1sc2c(c1)CC(C2)C(C)(C)C	SCHEMBL11641343,PC-id_22763666	238.346	RJXRJFCLGSWJBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023956
OC(=O)Cc1sc2c(c1)C[C@@H](C2)C(C)(C)C	PC-id_70625593,SCHEMBL11641339	238.346	RJXRJFCLGSWJBR-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-023957
s1c2CC(Cc2cc1C(=O)O)CCCCC	PC-id_14251020	238.346	KWWSHBMSHWKQAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023958
s1c2C(C(C(=O)O)C)CCc2cc1C(C)C	MCULE-3805859685	238.346	NAIIXOZNIFLMLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023959
C1CCC(CO1)NCc1sc2c(n1)CCC2	PC-id_115887457	238.349	MFIPQZGYTPFDRT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023960
c1(C(N)C2CCOCC2)sc2c(CCC2)n1	PC-id_62387257,MCULE-6018404018	238.349	MPZJKMTWXHJHCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023961
c1(NC(=O)CCCCC)snc2CCCc12	MCULE-1680924374,PC-id_54774414	238.349	YGIGQWUDSYIDDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023962
c1(sc2c(CCC2)n1)NC(=O)C(CC)CC	MCULE-9724056188,PC-id_3465519,EMOLS-id_181471788	238.349	GBLLYOGWIGYTTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023963
CC1(CCOC1)NCc1sc2c(n1)CCC2	PC-id_115888081	238.349	IRQQBTPAZGCYLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023964
CC1(COC1)CNCc1sc2c(n1)CCC2	PC-id_115887521	238.349	GTMDPXDNTRILGF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-023965
CC1(C)OC(c2c1sc(n2)NC1CC1)(C)C	PC-id_79916554,EMOLS-id_314422116	238.349	XQWDFOPCTAFGPH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-023966
CC1OCCC1NCc1sc2c(n1)CCC2	PC-id_115888113	238.349	TWLYLEHUSXFXCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023967
CC(C1Cc2c(C1)ncs2)N1CCOCC1	PC-id_143616552	238.349	PYFHSFUKISOVHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-023968
CCC1CCc2sc(N)c(C(=O)N(C)C)c12	EMOLS-id_337901868,PC-id_116176036	238.349	LABQCZWIDYXXGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023969
CC(C1(C(=O)Nc2c1scn2)C(C)(C)C)C	PC-id_57786451,SCHEMBL13054934	238.349	XHCOGUYGZBVXBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023970
CC(c1sc2c(n1)CCC2)(C1CCOC1)N	PC-id_116176748	238.349	SCSSTBBZASKLNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023971
CC(c1sc2c(n1)CCC2)NC1CCOC1	PC-id_115997501	238.349	YPRKXJWEZLJXLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023972
CC(CCNC(=O)c1sc2c(c1)CCC2)N	EMOLS-id_39700094,MCULE-5294749233,PC-id_63253889	238.349	ICEYMDCAXIYPIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023973
CCC(CNC(=O)c1sc2c(c1)CCC2)N	PC-id_63732197,EMOLS-id_39999055	238.349	VIXGMZDPJGFOAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023974
CCC(C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_38138795,PC-id_61208783	238.349	IMAQSNKUWCJZEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023975
CC(CC(=O)NCc1sc2c(c1)CCC2)N	PC-id_61208959,EMOLS-id_38138799	238.349	AKCPXKKYTXGFGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023976
CC(C)C(=O)NCCc1nc2CCCc2s1	PC-id_110459862,MCULE-8562334221,EMOLS-id_181137196	238.349	ITOYUWVZXFGYGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-023977
CCC(C(=O)N)NCc1sc2c(c1)CCC2	PC-id_62900409,EMOLS-id_39452446	238.349	HOKQMGFGODOPFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023978
CC[C@H](C(=O)NCc1sc2c(c1)CCC2)N	PC-id_65806396,EMOLS-id_41493639	238.349	IMAQSNKUWCJZEC-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023979
CC[C@@H](C(=O)NCc1sc2c(c1)CCC2)N	PC-id_79023278,EMOLS-id_41493641	238.349	IMAQSNKUWCJZEC-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-023980
CCCNC(=O)c1c(N)sc2c1C(C)CC2	EMOLS-id_40959160,PC-id_65046435	238.349	DUFZNECNYZUYJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023981
CCC(NC(=O)c1sc2c(c1)CCC2)CN	EMOLS-id_41074361,PC-id_65193562	238.349	AUDOISKXTFNFOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023982
CC(C(=O)N)CNCc1sc2c(c1)CCC2	EMOLS-id_38138645,PC-id_61208167	238.349	UYUUEFWGCAYWGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023983
C[C@@H](CN)N(C)C(=O)c1cc2c(s1)CCC2	ZINC22_237465581	238.349	VYIAXLSALVWREN-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023984
C[C@H](CN)N(C)C(=O)c1cc2c(s1)CCC2	ZINC22_237638324	238.349	VYIAXLSALVWREN-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023985
C[C@H](N)CCNC(=O)c1cc2c(s1)CCC2	ZINC22_63170372	238.349	ICEYMDCAXIYPIK-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023986
C[C@@H](N)CCNC(=O)c1cc2c(s1)CCC2	ZINC22_63170373	238.349	ICEYMDCAXIYPIK-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023987
CCNCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_39262456,MCULE-9488172881,PC-id_62658219	238.349	JJNDWTGNAXGQCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023988
CCNCC(=O)NCc1sc2c(c1)CCC2	PC-id_61811557,EMOLS-id_38602829	238.349	OHHZRINYHURMEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023989
CCN(C(=O)c1c(N)sc2c1CCC2)CC	EMOLS-id_37577414,PC-id_43367327	238.349	YLOHYZMOBHVIAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023990
CC(NC(=O)c1c(N)sc2c1C(C)CC2)C	EMOLS-id_40959166,PC-id_65046487	238.349	KJMVDSQOENGFBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023991
CCNC(=O)c1c(N)sc2c1C(CC)CC2	PC-id_116176030	238.349	TUYMPNJOHXCEHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023992
CCNC(=O)c1c(N)sc2c1C(C)(C)CC2	PC-id_79863826,EMOLS-id_42566875	238.349	MNYRTIYAFUZMPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023993
CCNC(=O)CNCc1sc2c(c1)CCC2	PC-id_61206876,EMOLS-id_38138715	238.349	WXVRCRRLTJAFFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023994
CC(=O)NCCNCc1sc2c(c1)CCC2	PC-id_107529250	238.349	OXGRSHKTJYCGDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023995
CNCCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_37745123,PC-id_43600764	238.349	UFBKGJIVFBPXDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023996
CNCCC(=O)NCc1sc2c(c1)CCC2	PC-id_61712828,EMOLS-id_38528270	238.349	KSBHLEQOAYMVOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023997
CNCCN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_40248301,PC-id_64080997,MCULE-7021745257	238.349	XYDPCLTUCFGSIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023998
CNC(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_120832251	238.349	XPNZPJJFSWKWJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-023999
CN(C)C(=O)c1c(N)sc2CCC(C)(C)c12	PC-id_79864106,EMOLS-id_42566887	238.349	ILTRWIXERPCFIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024000
CNC(C(=O)NCc1sc2c(c1)CCC2)C	EMOLS-id_39237335,PC-id_62638815	238.349	HNUBDTHWNWOUBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024001
CNC(=O)c1c(N)sc2c1C(C)CC2(C)C	PC-id_106662925	238.349	OFVXBVMJXZBUGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024002
CNC(=O)CCNCc1sc2c(c1)CCC2	EMOLS-id_38953650,PC-id_62324968	238.349	ACXFXUYCLVYSBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024003
CNC(=O)CNC(c1sc2c(c1)CCC2)C	PC-id_115706818	238.349	AAOAZTAVXLXFHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024004
CN(C(=O)CNCc1sc2c(c1)CCC2)C	PC-id_61207058,EMOLS-id_38138717	238.349	MDKDXICWXUMLPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024005
CNC(=O)C(NCc1sc2c(c1)CCC2)C	PC-id_61207246,EMOLS-id_38138689	238.349	DJZZGSMTKUJBGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024006
COC1CCN(Cc2nc3CCCc3s2)C1	MCULE-7509799775,EMOLS-id_195350766	238.349	IVTBTXKXXJFSKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024007
CO[C@@H]1CCN(Cc2nc3c(s2)CCC3)C1	ZINC22_669952607	238.349	IVTBTXKXXJFSKV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024008
CO[C@H]1CCN(Cc2nc3c(s2)CCC3)C1	ZINC22_669952608	238.349	IVTBTXKXXJFSKV-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024009
n1c(CNCC2CCCO2)sc2CCCc12	PC-id_46784922,MCULE-8235193588	238.349	UYCWPQRJVDYFKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024010
NCCCCNC(=O)c1sc2c(c1)CCC2	MCULE-9252843234,EMOLS-id_37920414,PC-id_60895948	238.349	WQNKOAVZYIJQIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024011
NCCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38138783,PC-id_61208593	238.349	SXXSPXMGEFJHAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024012
NCCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_81483283,EMOLS-id_315683433	238.349	IGFSRAOHMZKWQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024013
NCC(NC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_39652103,MCULE-4845045480,PC-id_63193634	238.349	HCKYBMIHHCRYQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024014
NCC(N(C(=O)c1sc2c(c1)CCC2)C)C	MCULE-2047950370,EMOLS-id_301673461,PC-id_119582314	238.349	VYIAXLSALVWREN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024015
NNC(c1sc2c(c1)CCC2)C1CCOC1	PC-id_105306535	238.349	DJMXJRMJKXVORZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024016
O1CCC(C1)CNCc1sc2c(n1)CCC2	PC-id_115887268	238.349	HVRQVHNQBNIMMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024017
O1CCC(CC1)NCc1sc2c(n1)CCC2	PC-id_115887301	238.349	OFFFKNVMCNEXQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024018
OC1(CCC1)CNCc1sc2c(n1)CCC2	PC-id_109948569	238.349	IWUVVOYHSWIRBU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-024019
OC1CCCC1NCc1sc2c(n1)CCC2	PC-id_115887630	238.349	FFZKCUAXEJWOIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024020
OC1CCCN(C1)Cc1sc2c(n1)CCC2	PC-id_109974017	238.349	LNTWAGALQMLJIG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024021
OC1CCN(CC1)Cc1sc2c(n1)CCC2	PC-id_109974591	238.349	VHSKQJQNPQICJI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024022
OCC1(CC1)NC(c1sc2c(n1)CCC2)C	PC-id_115997513	238.349	UNBMTPHTEBIZLO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024023
OCC1(CCC1)NCc1sc2c(n1)CCC2	PC-id_115887956	238.349	GSNWCIMLVYFNHX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-024024
OCC1CCCN1Cc1sc2c(n1)CCC2	PC-id_115903860,MCULE-8896202846,EMOLS-id_104349086	238.349	HCENAOXIJPVTMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024025
OCC1CCN(C1)Cc1sc2c(n1)CCC2	PC-id_109974715	238.349	PXFDUSCYZILBJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024026
OCC1(CNCc2sc3c(n2)CCC3)CC1	PC-id_109948686	238.349	VYEZWMFRQXSJLY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024027
O=C(c1sc2c(c1)CCC2)NCC(N)(C)C	EMOLS-id_301756372,PC-id_81482468,MCULE-5121146929	238.349	YYXRBMWIDLXMHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024028
OC[C@H]1CCCN1Cc1sc2c(n1)CCC2	PC-id_103917969	238.349	HCENAOXIJPVTMZ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024029
OC[C@@H]1CCCN1Cc1sc2c(n1)CCC2	PC-id_103918013	238.349	HCENAOXIJPVTMZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024030
OCCN(C1CC1)Cc1sc2c(n1)CCC2	PC-id_109974631	238.349	FLHKPMXNODWQCR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024031
OCCN(Cc1sc2c(n1)CCC2)CC=C	PC-id_109974985	238.349	OPSRMUKNSHNHEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024032
O=C(C(N)(C)C)NCc1sc2c(c1)CCC2	EMOLS-id_38178904,PC-id_61265462	238.349	PMRHVTHPQGMYOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024033
s1c2CCCc2nc1NC(=O)CCC(C)C	PC-id_33041101	238.349	SIZMBUPXFQBAOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024034
s1c2CCCc2nc1NC(=O)C(CC)(C)C	PC-id_3407799	238.349	KYQFVCVXZZLVOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024035
s1c2CCCc2nc1NC(=O)CC(C)(C)C	PC-id_3432597	238.349	CFYZGFBLWWVICQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024036
s1c2CCCc2nc1NC(=O)C(CCC)C	PC-id_4120685	238.349	RBDAVGPFBBNFEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024037
s1c(CNC(=O)C(C)CN)cc2CCCc12	EMOLS-id_39271901,MCULE-9886334888,PC-id_62671246	238.349	CIMQGBKUAPPRNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024038
s1c(nc2c1CCC2)C(N)(C1CC1)COC	PC-id_80411222	238.349	ACLWDGGFNLBNIE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024039
s1c(nc2c1CCC2)C(N)C1CCCOC1	PC-id_63739542	238.349	RBVPLTRGGWYKPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024040
s1c(nc2c1CCC2)C(N)C1OC(CC1)C	PC-id_82837859	238.349	BJRWKULOUQWSEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024041
s1c(nc2c1CCC2)C(NC)C1CCOC1	PC-id_61331763	238.349	ZBYNEYISFLPDRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024042
s1c(nc2c1CCC2)C(NC)C1OCCC1	PC-id_82838130	238.349	HUAZOKHGQXGFNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024043
s1c(nc2c1CCC2)C(O)C1CCCNC1	PC-id_84736770	238.349	YWQLZMFUMKZFQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024044
s1c(nc2c1CCC2)C(O)C1CCNCC1	PC-id_84736769	238.349	QOBQKAKZLSPFRX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024045
s1c(nc2c1CCC2)C(O)C1NCCCC1	PC-id_84736768	238.349	CBPUTKPQHAQIDF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024046
c12C(CCc1sc(N)n2)CN1CCNCC1	PC-id_82511110,MCULE-2662047424	238.352	KCNJKQTZRYZUIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024047
s1c2CN(CCN3CCCC3)Cc2nc1N	PC-id_82194367	238.352	ZJHCIJCNEWHNQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024048
S1CC(NC(c2n3CCCc3nn2)C)CC1	PC-id_43748074	238.352	MOOGEYCPCPLFJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024049
[Si](c1c2CCCc2oc1C(=O)OC)(C)(C)C	PC-id_11322383	238.355	GWGNMPODHCRCCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024050
O=C(c1sc2c(c1)CCC2)C1CCCS1	EMOLS-id_40321133,PC-id_64166267	238.369	KQDCABXMASUCQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024051
S1CC(CC1)C(=O)c1sc2c(CCC2)c1	PC-id_64163788	238.369	CDQZWFOWSBMYOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024052
CCC(c1cc2c(s1)CC(C2O)(C)C)(C)C	SCHEMBL12044716,PC-id_70641244	238.389	LZKDOPVUXAFVMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024053
CCCC[C@@]1(C[C@](c2c1ccs2)(C)CC)O	PC-id_135017116	238.389	MFSQMIVFTRKCSV-KBPBESRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024054
CCCC[C@]1(O)C[C@@](c2c1ccs2)(C)CC	PC-id_101487840	238.389	MFSQMIVFTRKCSV-KGLIPLIRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024055
CCC(CC(c1sc2c(c1)CCC2)O)CC	PC-id_115829688	238.389	QMWLGWHNORCCHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024056
CCCC(CC(c1sc2c(c1)CCC2)O)C	PC-id_115788913	238.389	SRODKJAHISUVDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024057
CC(CCCC(c1sc2c(c1)CCC2)O)C	PC-id_115829872	238.389	SZGVOXMLYYZOMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024058
CCCCCCC(c1sc2c(c1)CCC2)O	PC-id_115783390	238.389	VAJLSXLOTVNVEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024059
OC(c1sc2c(c1)CCC2)CCC(C)(C)C	PC-id_115791289	238.389	TUXDNDLOAPEZMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024060
c1(C(C(C)C)NCCC)sc2c(CCC2)n1	EMOLS-id_38237714,MCULE-3184903768,PC-id_61335188	238.392	AWKJJLJOHMSEAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024061
c1(C(C(C)C)NC(C)C)sc2c(CCC2)n1	MCULE-9384334505,PC-id_61334054,EMOLS-id_38238136	238.392	FDIUHDBKBVLPQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024062
CC1CC(c2c1nc(s2)NC(C)(C)C)(C)C	PC-id_106662908	238.392	VIBCEPHSLCKFCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024063
CCC1c2scnc2C(N1C(C)(C)C)CC	PC-id_70827969,SCHEMBL13062584	238.392	YPKPNMWZNMQUJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024064
CCC1NC(c2c1ncs2)C(CC)(CC)C	SCHEMBL3266318,PC-id_68574091	238.392	PGXYYSFHZCNFSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024065
CCC(c1sc2c(n1)C(CC2)(C)C)(CC)N	PC-id_79857770,EMOLS-id_42568829	238.392	RTOZHTOVMWTRMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024066
CCC(c1sc2c(n1)CCC2)(C(C)C)NC	EMOLS-id_38236610,PC-id_61330582	238.392	JIAMCRGUMKCFMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024067
CCC(c1sc2c(n1)CCC2)(NC(C)C)C	EMOLS-id_38238114,PC-id_61333657	238.392	QJCAYSXUPKXJQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024068
CCC(C(c1sc2c(c1)CCC2)NN)CC	PC-id_105324034	238.392	PLXHBGIQCVTSCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024069
CCCC(c1sc2c(n1)CCC2)(CCC)N	PC-id_61333072,EMOLS-id_38235612	238.392	ZBSBYROXSIQKGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024070
CCCC(c1sc2c(n1)CCC2)NC(C)C	EMOLS-id_38238130,PC-id_61336205	238.392	KYBDTBBEGMFFSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024071
CCCC(c1sc2c(n1)CCC2)(NC)CC	PC-id_108422808	238.392	ZYHZIOIQVRRODD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024072
CCC(C(c1sc2c(n1)CCC2)NC)CC	PC-id_61330974,EMOLS-id_38236618	238.392	QWPVFBHHXKIVBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024073
CCCC(c1sc2c(n1)CCC2)(NCC)C	PC-id_61332014,EMOLS-id_38237242	238.392	TZEMGBZEAFXGJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024074
CCC(CC(c1sc2c(c1)CCC2)NN)C	PC-id_105298525	238.392	XHPBZVBMCVYZLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024075
CCCC(C(c1sc2c(c1)CCC2)NN)C	PC-id_107896010	238.392	AICVKSUPIQOIBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024076
CCCCC(c1sc2c(n1)CCC2)(CC)N	EMOLS-id_40149861,PC-id_63953460	238.392	AWXXHFPFVWCZHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024077
CC(CCC(c1sc2c(n1)CCC2)(N)C)C	PC-id_61330694,EMOLS-id_38235556	238.392	RFAMJNWRPJDEBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024078
CCCCC(c1sc2c(n1)CCC2)NCC	PC-id_61332400,EMOLS-id_38237296	238.392	LOIISWMIHMCKES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024079
CCCCCC(c1sc2c(c1)CCC2)NN	PC-id_105294614	238.392	MKRATSVCZSZXQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024080
CCCCCC(c1sc2c(n1)CCC2)(N)C	PC-id_80558678,EMOLS-id_315494405	238.392	CNKKGNYKCZBLDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024081
CCCCCCC(c1sc2c(n1)CCC2)N	EMOLS-id_38235554,PC-id_61330498	238.392	JJUDQZTXTOTLLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024082
CCCCCCNCc1sc2c(n1)CCC2	PC-id_115887221	238.392	FZSWHAAKUIMUGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024083
CCC(C(C)C)NCc1sc2c(n1)CCC2	PC-id_115887328	238.392	YYIDPPJOGREETF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024084
CC(C(C)(C)C)NCc1sc2c(n1)CCC2	PC-id_115887505	238.392	OJMRJNAXGYGKTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024085
CC(C(C)C)CNCc1sc2c(n1)CCC2	PC-id_115887646	238.392	SRUBSYXEBRGJLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024086
CCCCCNC(c1sc2c(n1)CCC2)C	PC-id_115869629	238.392	ORSDMTZCKZGNLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024087
CC(C(C)C)NC(c1sc2c(n1)CCC2)C	PC-id_115869638	238.392	XODZSIOOCGPVNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024088
CC(CCCNCc1sc2c(n1)CCC2)C	PC-id_115887251	238.392	VDCPZVCRYVCBBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024089
CC(CCNC(c1sc2c(n1)CCC2)C)C	PC-id_115869621	238.392	AONBDJNGVSDZDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024090
CC(CCNCc1sc2c(n1)CCC2)(C)C	PC-id_115887257	238.392	VYPRFFDLVSQWEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024091
CCC(C(NCc1sc2c(n1)CCC2)C)C	PC-id_115887327	238.392	LJYJADBFYVVQMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024092
CCCC(NCc1sc2c(n1)CCC2)CC	PC-id_115887425	238.392	PZYBYGKPWKNJQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024093
CCC(CNCc1sc2c(n1)CCC2)CC	PC-id_115887462	238.392	LXXTXYVOIRCUFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024094
CCCC(NCc1sc2c(n1)CCC2)(C)C	PC-id_115887491	238.392	GEDSAIMTYPCNFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024095
CC(CC(NCc1sc2c(n1)CCC2)C)C	PC-id_115888037	238.392	XIBMIBJXMZKEFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024096
CCCC(NC(c1sc2c(n1)CCC2)C)C	PC-id_115997425	238.392	VSYFUTDCTBKSBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024097
CC(CNc1nc2c(s1)C(CC2C)(C)C)C	PC-id_106662909	238.392	WMCHRHNGCDCZHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024098
CCCNC(c1sc2c(n1)CCC2)CCC	EMOLS-id_38237708,PC-id_61334204	238.392	BHYZNYIKFDTMOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024099
CCCNC(c1sc2c(n1)CCC2)(CC)C	EMOLS-id_38237730,PC-id_61334206	238.392	JEDFAHDSINKTSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024100
CC(CNCc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_42571261,PC-id_79863793	238.392	ZBSDCFVMKSRQPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024101
CCC(NC(c1sc2c(n1)CCC2)C)CC	PC-id_115869619	238.392	AEZFQWPGLCZMMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024102
CCC(NCc1sc2c(n1)CCC2)(CC)C	PC-id_115887562	238.392	AGDIMNGJNWIXLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024103
CCC(NC(c1sc2c(n1)CCC2)C)(C)C	PC-id_115997507	238.392	GJEKOABNVQNQJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024104
CCCNCCNCc1sc2c(c1)CCC2	EMOLS-id_315848588,PC-id_104377831	238.392	CILPBGAAYFWDAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024105
CC(NCc1sc2c(n1)C(CC2)(C)C)(C)C	EMOLS-id_42568881,PC-id_79857771	238.392	HVJJNSLHEOCKLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024106
CCNC(c1sc2c(n1)CCC2)(C(C)C)C	PC-id_61332017,EMOLS-id_38237248	238.392	BNWSHTKGBOCPLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024107
CCNC(c1sc2c(n1)CCC2)(CC)CC	PC-id_61332389,EMOLS-id_38237264	238.392	WXQDBIWNBKCXRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024108
CCNC(C(C)(C)C)c1sc2c(n1)CCC2	PC-id_61332399,EMOLS-id_38237294	238.392	ZHDYRNBBTVQBSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024109
CCNCCCNCc1sc2c(c1)CCC2	PC-id_104422334,EMOLS-id_314425563	238.392	JNJSUEBBVGWJMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024110
CCNCC(NCc1sc2c(c1)CCC2)C	EMOLS-id_261135576,PC-id_104395424	238.392	LJXQAGDSQTUEGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024111
CC(NCCNCc1sc2c(c1)CCC2)C	EMOLS-id_315850639,PC-id_104378162	238.392	GDPUENPUBIHWEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024112
CCNCCN(Cc1sc2c(c1)CCC2)C	PC-id_104413050,EMOLS-id_315874701	238.392	AXHZJICGAQBSBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024113
CCN(CCNCc1sc2c(c1)CCC2)C	PC-id_105985807	238.392	BCEQRRZMKOKHHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024114
CNC(c1sc2c(n1)CCC2)CC(C)(C)C	EMOLS-id_39486587,PC-id_62949695	238.392	YPPSLXWPQPNSRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024115
CNC(c1sc2c(n1)CCC2)(CC(C)C)C	PC-id_61332153,EMOLS-id_38236578	238.392	OFQOWAQJWAQUIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024116
CN(CCCNCc1sc2c(c1)CCC2)C	PC-id_104433154,EMOLS-id_315822482	238.392	QCWMJEQKIJHCQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024117
CN(CC(NCc1sc2c(c1)CCC2)C)C	PC-id_104406652,EMOLS-id_315870862	238.392	GMGHRHWZGDQTOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024118
n1c2CCCc2sc1C(CCCCC)NC	EMOLS-id_38236546,MCULE-1423341005,PC-id_61332740	238.392	LBPZYQVCROWOBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024119
n1c2CCCc2sc1C(NCC)CC(C)C	MCULE-3248298317,EMOLS-id_38237262,PC-id_61332385	238.392	IDPJKXMIQFNAPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024120
NC(C(C)(C)C)c1sc2c(n1)C(CC2)(C)C	EMOLS-id_42568841,PC-id_79856535	238.392	GFAJGXWRLBQHAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024121
NCC(C(C)C)NCc1sc2c(c1)CCC2	PC-id_106345505	238.392	GFPNGGYXUBAUFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024122
NNC(c1sc2c(c1)CCC2)CCC(C)C	PC-id_105294188	238.392	BFZWGGSLJHOHFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024123
s1c(nc2c1CCC2)C(NC)(C(CC)C)C	PC-id_61330581	238.392	POPUIQHYYKSAGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024124
s1c(nc2c1CCC2)C(NCC)C(CC)C	PC-id_61332223	238.392	QYDQLAPMHFSBGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024125
s1c(nc2c1CCC2)C(NC)C(CCC)C	PC-id_61965257	238.392	KSQREGWESBJLOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024126
C[Si](C(C)(C)C)(OC1Cn2c(C1)ccn2)C	PC-id_141365580	238.401	DKLKYKPFSXBZJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024127
c12SC(Sc1ssc2=S)(C)C	MCULE-2040779345,PC-id_4086260,TIMTEC59628,ZINC22_5705951	238.437	AQXFCHWNEOZONC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024128
ClC(=O)c1c2CCCc2oc1C(F)(F)F	PC-id_83610585	238.591	NNFDSERELJKBFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024129
c1(C(F)(F)F)c2CCCc2n(CCCl)n1	MCULE-9080639792,PC-id_121214526,EMOLS-id_70119187	238.637	DVRZEOIFPMFDLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024130
CC1CCc2c1c(Cl)nn2CC(F)(F)F	EMOLS-id_330977021,MCULE-4762566137	238.637	XYXJUJKXCILMNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024131
CC1CCc2nn(CC(F)(F)F)c(Cl)c12	EMOLS-id_330959295,MCULE-4864636568	238.637	QYLAJNDIDXOXQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024132
FC(F)(F)Cn1nc2CCCc2c1CCl	MCULE-6663613956,EMOLS-id_317867773	238.637	PALKULWKUSYYBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024133
Clc1sc2CCC(Nn3cccc3)c2c1	PC-id_81252923	238.736	LPIQVHHRUUVQEU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-024134
CC1CCc2c1c(CCl)nn2CC1CCC1	MCULE-4891895656,EMOLS-id_331027461	238.756	NQYVWDAMAHIDCT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-024135
CC1CCc2nn(CC3CCC3)c(CCl)c12	MCULE-1798941994,EMOLS-id_331012788	238.756	OGKPSMRNCISIIP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-024136
CC(C1CC1)n1nc2CCC(C)c2c1CCl	MCULE-2413238330,EMOLS-id_331009468	238.756	UWEMSLISCNJLCS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024137
CC(C1CCC1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330957239,MCULE-9231135028	238.756	IKNJHAVLADVTME-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-024138
CC(n1nc2CCC(C)c2c1Cl)C1(C)CC1	EMOLS-id_330960821,MCULE-5967583380	238.756	IJRUUYCYWCZMGJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024139
Clc1c2CCCc2nn1CC1CCCCC1	EMOLS-id_324390234,MCULE-3502283808	238.756	NRSWQEUOLMCFGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024140
Clc1n(cc2C(NC3CC3)CCc12)C(C)C	PC-id_83912441	238.756	PACWOTYDHZVZAU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-024141
CC1(C2=C(C=CS2)C(=O)N1CC(=O)OC)C	PC-id_155162048	239.062	QQMGDJXFPCIJKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024142
CCCC(=O)NC1C(C(=O)C2=C1C=CS2)O	PC-id_153785730	239.062	WZSHEVODRMURQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024143
C1CSCC1(C(=O)N2CCN3C2=CC=N3)O	PC-id_154745475	239.073	ABLZSSYLTCIDOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024144
CCOC(=O)N1C2=C(CN(C2)C(=O)[O-])C(=N1)N	PC-id_153813399	239.079	NNUAURLSOUTTPM-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-024145
CC1(CCC2=C1SC(=C2)C(=O)N(C)OC)C	PC-id_154693247	239.098	ADVCERUVSURGNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024146
CCCOC(=O)NCC1CCC2=C1C=CS2	PC-id_163918083	239.098	QYAKDSPIRNDQQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024147
Clc1sc(c2c1C(=O)[C@@H]([C@@H]2[NH3+])O)Cl	GD-id_ZINC01638248	239.099	ASLSLSPCMXBOAF-NQXXGFSBSA-O	00000010100000000000000010000000000000000000000000000000	25-01-024148
Clc1sc(c2c1C(=O)[C@H]([C@H]2[NH3+])O)Cl	GD-id_ZINC01638251	239.099	ASLSLSPCMXBOAF-UCORVYFPSA-O	00000010100000000000000010000000000000000000000000000000	25-01-024149
CC(C)(C)[Si](C)(C)O[C@H]1CCN2C1=NN=C2	PC-id_151248834	239.145	NRWQNDLWQKHZTH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024150
OC(=O)C1CCn2c1c(cc2)C(=O)OC(=O)O	PC-id_20401507	239.182	KSKSHAOPIMTBIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024151
O=Cc1c(C)c(c2n1CC(C2)F)C(=O)C(=O)O	PC-id_142295171	239.2	BQQHQOXKFJIEDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024152
CSC1NNc2c(c(nn12)C(F)(F)F)N	PC-id_136629702	239.221	RBVNLIRGVQOMKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024153
c12CN(Cc1nn(CC)c2C(=O)O)C(=O)OC	EMOLS-id_324344935,MCULE-9781063744	239.228	UPUHKUSNMRSKNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024154
CC[C@H](C(=O)O)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_278685451	239.228	WGIQPUYMVNKEDZ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024155
CC[C@@H](C(=O)O)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_319509265	239.228	WGIQPUYMVNKEDZ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024156
CC(C(=O)O)CNC(=O)c1cc2n(n1)CCO2	EMOLS-id_319660447	239.228	CRDYEPLDFOONHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024157
CC(NC(=O)c1cc2n(n1)CCO2)CC(=O)O	MCULE-8657210578,EMOLS-id_319928989	239.228	DTLWHWTVVIGKJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024158
CCOC(=O)c1nn2C(CC(c2n1)O)C(=O)C	SCHEMBL20641199,PC-id_137408398	239.228	VQLJOAPPANKRRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024159
CC(=O)OCc1nnn2c1[C@@H](CC2)OC(=O)C	CoCoCo_5683555	239.228	KVLUVSJVKPRQIV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024160
CC(=O)OCc1nnn2c1[C@H](CC2)OC(=O)C	NSC625780,CoCoCo_5683554	239.228	KVLUVSJVKPRQIV-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024161
CN(C(=O)c1cc2n(n1)CCO2)CCC(=O)O	EMOLS-id_319055039	239.228	YCLMLFPOIIJIHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024162
O(C1CCn2nnc(c12)COC(=O)C)C(=O)C	PC-id_362189	239.228	KVLUVSJVKPRQIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024163
O=C(c1cc2n(n1)CCO2)NC(C(=O)O)(C)C	MCULE-3855528120,EMOLS-id_258060899	239.228	XEUAFMUCPCHHSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024164
OC(=O)CCCNC(=O)c1cc2n(n1)CCO2	EMOLS-id_278684643	239.228	KFICCENISFOQJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024165
c12ncnn1C(C(=O)N2)CC(=O)NCCOC	EMOLS-id_46468123,SPECS-id_AN-153/NB26755,PC-id_136266810,MCULE-1509952500	239.231	HHJGTUCSIJRLRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024166
COCCNC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_136677566,ZINC22_95117664	239.231	HHJGTUCSIJRLRM-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024167
COCCNC(=O)C[C@H]1C(=O)Nc2ncnn12	PC-id_136677567,ZINC22_95117665	239.231	HHJGTUCSIJRLRM-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024168
c1ccc(cc1)C(=O)c1c([nH]c2c1C(=N)N=N2)N	PC-id_136314920	239.233	SRVSCONLTGBFBP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024169
N#Cc1c(Nc2ccccc2)nn2c1NC(=O)C2	PC-id_139220378	239.233	IOHKLYUGZWCNDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024170
[Se]1CCc2sc(=S)sc12	PC-id_15829888	239.24	DNGBPHFQBQPBFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024171
F[C@@H]1COC[C@@H]1NC(=O)c1occ2c1CCC2	EMOLS-id_319318251	239.243	ZHXSDHSSTODQLM-ZJUUUORDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024172
Fc1c(C#Cc2cn3CCC(=O)c3c2)cccc1	PC-id_71117642,SCHEMBL14249091	239.244	INBPSETXGGCOIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024173
Fc1ccc(cc1)C#Cc1cn2c(c1)C(=O)CC2	PC-id_71117868,SCHEMBL14249366	239.244	ZMDYNDBLJYTEGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024174
Fc1cccc(c1)C#Cc1cn2c(c1)C(=O)CC2	SCHEMBL14249174,PC-id_71117708	239.244	FUFJMQOFLKDZNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024175
Fc1cccc(c1)C#CC1Cn2c(C1=O)ccc2	PC-id_144490766	239.244	QKYZIUJSQCTRAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024176
FS(=O)(=O)c1[nH]cc2c1CCS2(=O)=O	MCULE-5770964362,EMOLS-id_208132204	239.245	DDHUOTJSEXDFPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024177
F[C@@H]1COC[C@@H]1NC(=O)c1cnc2n1CCC2	MCULE-2586519590,EMOLS-id_320118479	239.246	GOWAGPBYCRNCFQ-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024178
F[C@@H]1COC[C@@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_320197569,MCULE-1979811993	239.246	YCWCVZZMEHVOEX-SCZZXKLOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024179
O=C(c1nn2c(c1)OCC2)N1CCC(C1)(C)F	EMOLS-id_102538050,MCULE-9510760330	239.246	YKFQUUWWGTXJRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024180
CCc1cc2c(s1)C(=O)N(C2=O)CC(=O)O	SCHEMBL15686733,PC-id_90132854	239.248	XWOHVFNPMJIRLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024181
COC(=O)CCN1C(=O)c2c(C1=O)csc2	PC-id_68470433,SCHEMBL2995782	239.248	WWEHLOWPUMCGKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024182
O=C(c1c2[n+]([nH]c1)CCN2)CN(CC(=O)O)C	PC-id_82388416	239.251	YGVUZZUDGBAIIZ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-024183
O=S(=O)(c1[nH]ccn1)N1Cc2c(C1)cn[nH]2	EMOLS-id_317958458	239.254	XWDJWMCFCPJAIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024184
CC(C)(C)OC(=O)N1Cc2occ(CO)c2C1	PC-id_121229907,EMOLS-id_49433435,ZINC22_97759007,MCULE-5045403727	239.268	LHDFHSJPQJAIEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024185
C1C(=O)Cc2c1cc(n2Cc1ccccc1)C=O	SCHEMBL12951911,PC-id_88986102	239.269	KNXRENAXGDKCGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024186
O=C1/C(=C/c2ccc(OC)cc2)/Cn2c1ccc2	PC-id_24241985	239.269	KVFIIVSRQFOXOX-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024187
O=C1C(=Cc2ccc(OC)cc2)Cn2c1ccc2	PC-id_45835641	239.269	KVFIIVSRQFOXOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024188
O=CC1Cc2n(ccc2C1)C(=O)c1ccccc1	PC-id_57841478	239.269	KJEUCEYRDZDHTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024189
O=CC1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL13535124,PC-id_18720464	239.269	MUZGYHLAGSQPLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024190
OC(=O)c1cc2c([nH]1)/C(=C/c1ccccc1)/CC2	SCHEMBL1004097	239.269	CAPDTIIUUMEJEA-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024191
OC(=O)c1cc2c([nH]1)/C(=Cc1ccccc1)/CC2	SCHEMBL1054865,PC-id_66890245	239.269	CAPDTIIUUMEJEA-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024192
OC(=O)c1[nH]c2c(CCC2=Cc2ccccc2)c1	PC-id_59180113	239.269	CAPDTIIUUMEJEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024193
c12CN(Cc1nn(CC)c2CO)C(=O)OCC	EMOLS-id_324346475,MCULE-2321205663	239.271	HRUIAJOVXRPITP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024194
c12CN(Cc1nn(CCC)c2CO)C(=O)OC	EMOLS-id_324348522,MCULE-6634566554	239.271	KQXKNMAMNQWSMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024195
c12CN(Cc1nn(C(C)(C)C)c2O)C(=O)OC	EMOLS-id_324338281,MCULE-5441386894	239.271	SUOHXHTUAZOXHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024196
CC1N(Cc2c(N)noc12)C(=O)OC(C)(C)C	EMOLS-id_330494942,PC-id_83851011	239.271	XZAUEXTVEIDXHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024197
CC1N(Cc2onc(N)c12)C(=O)OC(C)(C)C	EMOLS-id_330455270,PC-id_83851010	239.271	ODAYJKXRLHDOOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024198
CCCC1CC(c2n1nc(n2)C(=O)OCC)O	SCHEMBL20641200,PC-id_137408399	239.271	WFIFDAUNFJWEDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024199
CCC[C@@H]1C[C@H](c2n1nc(n2)C(=O)OCC)O	PC-id_137408402,SCHEMBL20641203	239.271	WFIFDAUNFJWEDI-HTQZYQBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024200
CC(C)(C)OC(=O)N1Cc2nc(CN)oc2C1	MCULE-2123989120,EMOLS-id_44477934,PC-id_71306013	239.271	IEBMDJZJTMKXMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024201
CC(C)(C)OC(=O)N1Cc2[nH]nc(CO)c2C1	EMOLS-id_32233876,EMOLS-id_114794636,MCULE-1920543475,PC-id_71306012,ZINC22_91304649	239.271	LMBYCZPIAUWHJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024202
CC(C)(C)OC(=O)N1Cc2n[nH]cc2C1CO	MCULE-9457833700,EMOLS-id_324033951	239.271	KTQRBYWVSQPSEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024203
CC(C)(C)OC(=O)NCC1COc2ccnn12	PC-id_165370042,EMOLS-id_337731993	239.271	PMXDXWKWBXREGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024204
CC(CONC(=O)c1n(C)nc2c1CCC2)O	EMOLS-id_320229248,MCULE-3854895403	239.271	WPBDOSPEORADPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024205
CCOCCCNC(=O)c1nn2CCOc2c1	PC-id_91959849	239.271	PGNFUTYQMZMERC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024206
CCOC(=O)c1nn2C(CC(c2n1)O)C(C)C	SCHEMBL20640777,PC-id_137408110	239.271	UYNXODZBZLCFHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024207
CCOC(=O)c1nn2[C@@H](C[C@H](c2n1)O)C(C)C	SCHEMBL20640778,PC-id_137408111	239.271	UYNXODZBZLCFHK-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024208
CCOC(=O)c1nn2[C@@H](C[C@@H](c2n1)O)C(C)C	SCHEMBL20645880,PC-id_137412471	239.271	UYNXODZBZLCFHK-YUMQZZPRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024209
CCOC(=O)c1nn2c(n1)[C@@H](CC2C(C)C)O	PC-id_138515864,SCHEMBL20867670	239.271	UYNXODZBZLCFHK-BRFYHDHCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024210
CCOC(=O)c1nn2c(n1)[C@H](CC2C(C)C)O	PC-id_138515865,SCHEMBL20867671	239.271	UYNXODZBZLCFHK-MQWKRIRWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024211
COCC(CNC(=O)c1n[nH]c2c1CCC2)O	PC-id_112371756	239.271	NOMAJCGDVWTOMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024212
COC(C(=O)NCc1n[nH]c2c1CCC2)OC	EMOLS-id_319213469	239.271	ZTLLSQJMTFHXLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024213
O1C(CCCCC)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL14004055,PC-id_15956512	239.271	WXXUMVNGCRJCSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024214
O1[C@@H](CCCCCC)Cn2c1nc([N+](=O)[O-])c2	PC-id_73953246	239.271	WWIXNZOVAHOOJS-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024215
o1nc2C(NC(=O)OC(C)(C)C)CCc2c1N	PC-id_83919349	239.271	GBDMZYDQZZUPSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024216
O(C1(n2n(C(=C)C1(C)C)c(=O)n(c2=O)C)C)C	PC-id_10823902	239.271	LYXJXJUOUZVODX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024217
O(C(C)(C)C)C(=O)N1Cc2c(noc2CN)C1	PC-id_83866756	239.271	QHZAXAOVCADPKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024218
O(C(C)(C)C)C(=O)N1C(c2c(noc2N)C1)C	PC-id_83851012	239.271	HVJXFOPGLSBJFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024219
O(C(C)(C)C)C(=O)N1Cc2c(noc2NC)C1	PC-id_83866752	239.271	KQHSRJOMWJFWMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024220
O(C(C)(C)C)C(=O)N1Cc2c(onc2CN)C1	PC-id_83866725	239.271	GNUBPKTWDZCJPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024221
O(C(C)(C)C)C(=O)N1Cc2n(c(=O)[nH]c2C1)C	PC-id_84030621	239.271	QTLYACREJNKPPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024222
O(C(C)(C)C)C(=O)N1Cc2n([nH]c(=O)c2C1)C	PC-id_83851016	239.271	VWIJRQROEZSCHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024223
O(C(C)(C)C)C(=O)N1C(c2noc(N)c2C1)C	PC-id_83803106	239.271	SZXMVURFJJPUBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024224
OCCn1nc2c(c1C(=O)O)CN(C2)C(C)C	PC-id_105501264	239.271	HOFLYWLHDDYETR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024225
OCCn1nc(c2c1CN(C2)C(C)C)C(=O)O	PC-id_105501266	239.271	XZCZJWJNDXLDBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024226
O=C(N1Cc2c(C1)c(=O)n([nH]2)C)OC(C)(C)C	PC-id_105501271	239.271	MGIJFMIAUHQFLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024227
O(C(=O)N1C(c2c([nH][nH]c2=O)C1)C)C(C)(C)C	PC-id_83851014	239.271	HKJOVVKJUQATOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024228
O(C(=O)N1C(c2[nH][nH]c(=O)c2C1)C)C(C)(C)C	PC-id_83851013	239.271	PXYZHVBPNDCZBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024229
O(C(=O)N1C(c2n([nH]c(=O)c2C1)C)C(C)C)C	PC-id_83851007	239.271	VLMWQTAZTOHKOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024230
O(C(=O)N1C(CC(C)C)c2[nH][nH]c(=O)c2C1)C	PC-id_83851005	239.271	NWZUHVHYMMXUEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024231
C1c2cn(cc2C=N1)C(=O)NCc1ccccc1	PC-id_91019125	239.273	KQOCKODKYMLUAA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-024232
C1(=CNNc2ccccc2)Cn2c(ccc2)C1=O	MCULE-2619586573,PC-id_71831672	239.273	MRJYMBSTWVYMFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024233
N#CC1CCn2c1ccc2C(=O)c1cccn1C	SCHEMBL11343819,PC-id_70567544	239.273	JCXDIOYZHXCWBC-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-024234
N#Cc1nn(c2c1CC(C2)O)Cc1ccccc1	PC-id_23135152,SCHEMBL5522025	239.273	LUMGLCOYSVVZJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024235
N#Cc1nn(c2c1CCC2O)Cc1ccccc1	PC-id_58713627,SCHEMBL14570520	239.273	JHNSBQYUQKMNNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024236
NC(=O)c1nn(c2c1C=CC2)Cc1ccccc1	PC-id_69475276,SCHEMBL5523927	239.273	ZFJSKKYWGROPPS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024237
NC(=O)c1nn(c2c1CC=C2)Cc1ccccc1	PC-id_69476977,SCHEMBL5528723	239.273	JFWHWUVRPIFKJB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024238
O(c1cc(C#Cc2nnn3CCCc23)ccc1)C	PC-id_71747298	239.273	KSESGTJXSAPNER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024239
O(c1ccc(C#Cc2nnn3CCCc23)cc1)C	PC-id_71747300	239.273	NKKHMUKSLCNUDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024240
O=C1/C(=CNNc2ccccc2)/Cn2cccc12	ZINC22_72414129,PC-id_66485700	239.273	MRJYMBSTWVYMFZ-LUAWRHEFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024241
O=C(c1n[nH]c2c1C=CC2)NCc1ccccc1	SCHEMBL6207595,PC-id_69704142	239.273	JKKDHCFCNCXZGR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024242
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)N	SCHEMBL18871753	239.274	MSTZNJZHCQFQGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024243
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)N)N	SCHEMBL18871752	239.274	MRMHQIIIKIIGII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024244
Cn1c2c(c(=O)n1C)N(CN2)CCCC(=O)N	SCHEMBL15384299,PC-id_89901193	239.274	HMSUPFQPZQXZPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024245
O(C(C)(C)C)C(=O)N1Cc2c(nn(N)c2N)C1	PC-id_59226010,SCHEMBL8214995	239.274	DCVZSNVBLMILTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024246
N#Cc1cc(ccc1N)Cc1nnc2n1CCC2	PC-id_103586459	239.276	UPVQLEDHLBQCGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024247
c12ccsc1CCC2NC(=O)CCC(=O)O	MCULE-2178198042,PC-id_83626208	239.291	IHSHSKZNJZCVRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024248
c1(C(=O)OCC)c2CCCc2sc1NC=O	CK1177484,ZINC22_227389,CoCoCo_1721472,ChEMBL-DNDi_CHEMBL5662655,PC-id_759951,EMOLS-id_1990189,SCHEMBL1975091,STOCK1S-76035,MCULE-7192315388	239.291	BGWVDRPZXMCPLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024249
c1(NC(=O)C)sc2c(CCC2)c1C(=O)OC	CK1300948,ZINC22_4174260,PC-id_3115387,CoCoCo_5010878,EMOLS-id_3064167,SPECS-id_AG-690/11663681,MCULE-3258714393,SPECS-id_AT-084/J158730,SPECS-id_AN-153/I120920	239.291	WAZONHHQEKQOTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024250
CCC(=O)Nc1sc2c(c1C(=O)O)CCC2	SCHEMBL20541702,PC-id_28860188,EMOLS-id_37220106	239.291	XVUYWOFLWCAIIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024251
CC(C(=O)N)OC(=O)c1sc2c(c1)CCC2	PC-id_17390749,EMOLS-id_11994707,MCULE-5185212483	239.291	YZQKCEUSJFWVTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024252
CC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	MCULE-9054448782,PC-id_20115753,EMOLS-id_37236355	239.291	IWFWFSBAPJZTLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024253
C[C@@H](NC(=O)c1cc2c(s1)CCC2)C(=O)O	EMOLS-id_38414887,MCULE-9451116137,PC-id_28121786,ZINC22_19274763	239.291	IWFWFSBAPJZTLS-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024254
C[C@H](NC(=O)c1cc2c(s1)CCC2)C(=O)O	ZINC22_19274765,EMOLS-id_38091331,MCULE-4106704458,PC-id_28121788	239.291	IWFWFSBAPJZTLS-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-024255
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N	ZINC22_4581514,PC-id_7291920,CoCoCo_2840872	239.291	YZQKCEUSJFWVTE-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-024256
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N	ZINC22_4581515,CoCoCo_2840873,PC-id_7291921	239.291	YZQKCEUSJFWVTE-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024257
CCOCCCN1C(=O)c2c(C1=O)csc2	PC-id_117787889,SCHEMBL16356278	239.291	BWEYYYYQSLAICT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024258
CCOC(=O)c1cc(n2c1CSC2)C(=O)C	PC-id_118946033,SCHEMBL17591389	239.291	UOAXVJNWKWMRDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024259
CCOC(=O)c1cc(n2c1SCC2)C(=O)C	SCHEMBL17591390,PC-id_118946034	239.291	HXSJOJIMNNAPKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024260
CCOC(=O)CC(=O)c1nc2c(s1)CCC2	PC-id_90112723,SCHEMBL15661814	239.291	KFBILFRNKRQHPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024261
CN(CC(=O)O)C(=O)c1cc2c(s1)CCC2	ZINC22_19270865,MCULE-7621707667,PC-id_20114665,EMOLS-id_37236725	239.291	LWMWWBFEFGRQDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024262
CNC(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-2606198068,PC-id_4406818,ZINC22_5308315,EMOLS-id_33296793	239.291	ZPEINJTYWZXLTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024263
COC(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_314094648,PC-id_43405629	239.291	KALHSYQSONVHDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024264
O=C(O)CCNC(=O)c1cc2c(s1)CCC2	ZINC22_19403679,MCULE-4753267790,EMOLS-id_37237501,PC-id_18070336	239.291	CVQOXGHONAHOAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024265
OC(=O)CC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38856073,PC-id_62232291	239.291	MGAVJWKFPJEBTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024266
s1c2c(CCC2)cc1N(C(C)C(=O)O)C=O	PC-id_20848236	239.291	DUZWTJFDSYEBJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024267
s1c2c(CCC2)cc1N(CCC(=O)O)C=O	PC-id_20848525	239.291	VSRFFJINSMEUDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024268
S1(=O)(=O)Cc2c(C1)cn(c2)C(=O)CCC=C	PC-id_11806732	239.291	LHWUKPFJLCFLTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024269
N#Cc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_105501448	239.294	ZRBYZVDCFJNWGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024270
N#Cc1n(CC(C)C)nc2c1CS(=O)(=O)C2	PC-id_105501449	239.294	XJASLZFITPFZQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024271
N#Cc1nn(c2c1CS(=O)(=O)C2)C(C)(C)C	PC-id_105501443	239.294	FISGBHPLXLOHQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024272
N#Cc1nn(c2c1CS(=O)(=O)C2)CC(C)C	PC-id_105501444	239.294	JVLUBSBUSWCOHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024273
O=C(c1nn2c(c1)OCC2)N1CCSCC1	EMOLS-id_102490771	239.294	RXNRIPICHMICJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024274
ON=C(CNC(=O)c1sc2c(c1)CCC2)N	EMOLS-id_38086981,PC-id_61133138	239.294	RRQFOLCBRBYOEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024275
s1c2c(nc1NC(=O)C1OCCC1)CNC2	PC-id_82194082	239.294	UXFSRQDQTHSZTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024276
s1c2CN(Cc2nc1N)C(=O)C1OCCC1	PC-id_82194192	239.294	ZBULJVQGLOZFEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024277
FC[C@@H]1C[C@H]1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318808732	239.309	CXSAVVYEQPPTNY-DTWKUNHWSA-N	00100010100000000000000010000000000000000000000000000000	25-01-024278
o1c2c(CCC2)c(c1COC)CNCCOC	PC-id_83610059	239.311	LKTCJPNOZJAUPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024279
CCC1CCn2c1ccc2C(=O)c1ccccc1	PC-id_141824653	239.312	SYWVJSNXLOEWRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024280
O=C1c2n(c(cc2CC1)CC)Cc1ccccc1	PC-id_10823907	239.312	RWUYQTDCRROCRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024281
O=C(c1c(n2c(CCC2)c1C)C)c1ccccc1	PC-id_11322400	239.312	FBHVPGITHUFZRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024282
O=C(c1n2CC(Cc2cc1)(C)C)c1ccccc1	PC-id_10988370	239.312	VCAJWDLLPABECP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024283
O=C(c1n(c2c(CCC2)c1)Cc1ccccc1)C	PC-id_10681468	239.312	MVWHXTHUXQEQOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024284
c1(N=C=S)sc2c(CCC2)c1C(=O)OC	CoCoCo_6798172,MCULE-1140157270,EMOLS-id_851066,TIMTEC311880,SCHEMBL3644445,PC-id_4506508	239.314	MLQNTNQQEVSUPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024285
CCC(CCCc1n2CCCn2c(=O)c1N)O	PC-id_71104063,SCHEMBL14222791	239.314	UUPYEXQODYNTAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024286
CN1C(=O)c2c(C1=O)c(sc2C)C(=C)S	SCHEMBL18950180	239.314	XQKWQZISGMCBHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024287
COCCNc1[nH]nc2c1C(C)(C)OC2(C)C	EMOLS-id_315474726,PC-id_79927585	239.314	QCXCBDYKYPEZTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024288
OCC(n1nc2c(c1)CN(C2)C(C)(C)C)CO	SCHEMBL19504438	239.314	PJTNGASOIIUSSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024289
OCC(n1ncc2c1CN(C2)C(C)(C)C)CO	SCHEMBL19504460	239.314	ZVROQUYHCGKTLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024290
CN(CCCNc1n2CCCn2c(=O)c1N)C	PC-id_70985624,SCHEMBL13745452	239.317	XGUXRZUBVKXYDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024291
CCC(C1CCc2n1nc(n2)C(C)(C)C)(F)C	PC-id_134571309,SCHEMBL20221923	239.332	IPKFACWABOECBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024292
CC(Cn1nc2c(c1)CN(C2)C(C)(C)C)(F)C	PC-id_70937960,SCHEMBL13562722	239.332	DONUWMXKVPYHFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024293
c12C(CCc1sc(CC(C)C)n2)CC(=O)O	MCULE-4740886740,PC-id_84150482	239.334	RKUWCABHMODQQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024294
c12c(C)c([nH]c1C(C(C)S2)C(=O)OCC)C	EMOLS-id_7655121,PC-id_5090556,MCULE-7635460247,TIMTEC257596	239.334	KDAGWSDHTPDJCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024295
c1(cc2c(CCC2)s1)NC(=O)OC(C)(C)C	EMOLS-id_36516584,SCHEMBL15409702,ZINC22_71289176,PC-id_66545155,MCULE-7685375986	239.334	LLIIQRRYFRWRMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024296
c1(C(=O)OCC)c2CCCc2sc1NCC	PC-id_63091987,MCULE-1816799625	239.334	GIOAENHHXJUWTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024297
CC1(OCCO1)CNC1CCc2c1scc2	EMOLS-id_266558446	239.334	RHSSHMNDSJJBSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024298
CCC(c1nc2c(s1)CCC2C(=O)O)CC	PC-id_104286769,EMOLS-id_315843955	239.334	XGEFWZNHNBVSAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024299
CC(CCc1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_315006719,PC-id_104287271	239.334	BPPAKAUFSOEOBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024300
CC(CCNC(=O)c1sc2c(c1)CCC2)O	EMOLS-id_40532690,PC-id_64458147	239.334	MFEUXXSYRMCOMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024301
CCC(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_116242513	239.334	NTBHILXCFWOEAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024302
CC(C)(C(N)C(=O)O)c1cc2CCCc2s1	EMOLS-id_313851581,MCULE-8865085482	239.334	DZKFEBBBYWTIEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024303
CC(C)(C)OC(=O)C1Cc2c(C1N)ccs2	PC-id_90089907	239.334	GLBHLFWBBCFAFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024304
CC(C)(C)OC(=O)C1Cc2c(C1N)scc2	PC-id_90089903	239.334	SZIWBIJSUYCJIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024305
CC(C)(C)OC(=O)c1c(N)sc2c1CCC2	ZINC22_34639058,MCULE-8905034915,SCHEMBL10711946,EMOLS-id_266558450,PC-id_11715662	239.334	OMFVRGPHQLADHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024306
CCC(C(=O)O)NCc1sc2c(c1)CCC2	EMOLS-id_40683128,PC-id_64667777	239.334	PHJBBKGWDKSBLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024307
CC[C@H](NC(=O)c1sc2c(c1)CCC2)CO	CoCoCo_3729362,PC-id_7722086	239.334	MUFGRXBUEGFOEJ-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-024308
CC[C@@H](NC(=O)c1sc2c(c1)CCC2)CO	PC-id_7722087,CoCoCo_3729363	239.334	MUFGRXBUEGFOEJ-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024309
CCCNc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_39588022,PC-id_63091274	239.334	FXIBSOYYLLQLNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024310
CC(C)NC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956535	239.334	UTDSPSFMCSDQFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024311
CCC(NC(=O)c1sc2c(c1)CCC2)CO	PC-id_3525896,ChEMBL-DNDi_CHEMBL1479627,EMOLS-id_24470041,CHEMBL1479627,MCULE-8721889435	239.334	MUFGRXBUEGFOEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024312
CC(CN(C(=O)c1sc2c(c1)CCC2)C)O	PC-id_62335518,EMOLS-id_38962227	239.334	OJEOOZWKXJIAKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024313
CC(C(=O)O)CNCc1sc2c(c1)CCC2	PC-id_61207052,EMOLS-id_38138657	239.334	JGSNHODYCRMNFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024314
CC(=O)c1c(N)sc2c1C(C)(C)OC2(C)C	EMOLS-id_314422372,PC-id_79915645	239.334	DQRIRVCFCMYXBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024315
CCOCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_315284965,PC-id_61948072	239.334	VNSILGZTRKMEMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024316
CCOC(=O)C1CCc2c1nc(s2)C(C)C	PC-id_104286837	239.334	PDFREHPUGZSXTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024317
CCOC(=O)C1CCc2c1nc(s2)CCC	PC-id_104287117	239.334	ODTUAMJZKDRJTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024318
CC(OC(=O)c1c(N)sc2c1C(C)CC2)C	PC-id_65046754,EMOLS-id_40959194	239.334	WPVZDPVIMACWDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024319
CCOC(=O)c1c(N)sc2c1C(CC)CC2	PC-id_116176022	239.334	XPEOUSPPSLLNDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024320
CCOC(=O)c1c(N)sc2CCC(C)(C)c12	EMOLS-id_42566867,MCULE-7541192975,PC-id_68726389,SCHEMBL3645174	239.334	NIULPCHCICYQSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024321
CCOC(=O)C1(N)Cc2c(C1)c(sc2C)C	SCHEMBL3308740,PC-id_59314251	239.334	VVMLMJSPURXMID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024322
CCOC(=O)[C@H]1c2[nH]c(C)c(C)c2S[C@@H]1C	CoCoCo_6561049,ZINC22_5796689,PC-id_40564082	239.334	KDAGWSDHTPDJCQ-RKDXNWHRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024323
CCOC(=O)[C@@H]1c2[nH]c(C)c(C)c2S[C@@H]1C	ZINC22_5796547,PC-id_40564056,CoCoCo_6561047	239.334	KDAGWSDHTPDJCQ-BDAKNGLRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024324
CCOC(=O)[C@@H]1c2[nH]c(C)c(C)c2S[C@H]1C	ZINC22_5796548,CoCoCo_6561046,PC-id_40564057	239.334	KDAGWSDHTPDJCQ-IUCAKERBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024325
CCOC(=O)[C@H]1c2[nH]c(C)c(C)c2S[C@H]1C	ZINC22_5796694,CoCoCo_6561048,PC-id_40564083	239.334	KDAGWSDHTPDJCQ-DTWKUNHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024326
CCOC(=O)NCC1CCc2c1c(C)cs2	PC-id_141658412	239.334	CQLBFCCFMAOGNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024327
CNc1sc2c(c1C(=O)O)C(CC2(C)C)C	SCHEMBL21261189,PC-id_139404313	239.334	QPCGQLADGZDRKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024328
COC(C(=O)NCc1sc2c(c1)CCC2)C	PC-id_115595582	239.334	UFMHIMQDWMBDLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024329
COC(=O)c1c(N)sc2c1C(C)CC2(C)C	PC-id_106662924	239.334	BCWLSSMYOYBSDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024330
COC(=O)CCC(N)c1cc2CCCc2s1	EMOLS-id_313792972,MCULE-9794372881	239.334	WPMBKBSMQSDXJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024331
COC(=O)CC(CN)c1cc2CCCc2s1	MCULE-5204638201,EMOLS-id_313812676	239.334	VXXUSXIZQZRXIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024332
COC(=O)C(NCc1sc2c(c1)CCC2)C	PC-id_61721812,EMOLS-id_38534334	239.334	MFQWEYBGEIXSLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024333
CON(C)C(=O)c1cc2CC(C)(C)Cc2s1	MCULE-5688191679,SCHEMBL10263424,PC-id_58044178,EMOLS-id_252309664	239.334	KHEMBPIPWTVCLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024334
O=C(c1sc2c(c1)CCC2)NCC(O)(C)C	EMOLS-id_41007466,PC-id_65110065	239.334	LFNSXCXZQUYBIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024335
OCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_106843558	239.334	XSKZOQIRHYIFDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024336
OCCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_260824382,PC-id_79191406	239.334	ASFIFTSHTUUNIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024337
OCC(CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_40951466,PC-id_65037342	239.334	HOVOTBQHBHTRLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024338
OCCC(NC(=O)c1sc2c(c1)CCC2)C	PC-id_81050064,EMOLS-id_315735527	239.334	TXLQUJHGCUZUJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024339
O=C([C@@H]1Cc2c([C@H]1N)ccs2)OC(C)(C)C	SCHEMBL15630814	239.334	GLBHLFWBBCFAFF-PSASIEDQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024340
O=C([C@@H]1Cc2c([C@H]1N)scc2)OC(C)(C)C	SCHEMBL15630810	239.334	SZIWBIJSUYCJIM-BDAKNGLRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024341
OCC(N(C(=O)c1sc2c(c1)CCC2)C)C	EMOLS-id_314428581,PC-id_115765143	239.334	GMTRFPRJUFWAEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024342
OCCN(C(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_37230566,PC-id_60653451	239.334	JXMLWMKGYRBFGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024343
OCC(NC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_37230832,PC-id_43390537	239.334	FJTMAJYEWHJMIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024344
OC(=O)C1CCc2c1nc(s2)CC(C)(C)C	PC-id_104287277,EMOLS-id_261448864	239.334	JNGODHOLBBMXIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024345
O=C(OC(C)(C)C)NC1CCc2c1ccs2	PC-id_139917052	239.334	BCPGIWWLUZPDCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024346
O=C(OC(C)(C)C)Nc1csc2c1CCC2	PC-id_121599903,EMOLS-id_107703567	239.334	NRJLXRUVBGGDNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024347
OC(=O)CCCNCc1sc2c(c1)CCC2	PC-id_61208359,EMOLS-id_38138649	239.334	YDBWCILEPMMFOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024348
OC(=O)CC(NCc1sc2c(c1)CCC2)C	PC-id_61206870,EMOLS-id_38138653	239.334	DQIBAAWQHHBKRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024349
s1c2C(CCc2cc1CC)(CC(=O)O)CN	PC-id_83912491	239.334	HHRSZBUFFHUORP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024350
s1c2c(CCC2)c(c1C(CC(=O)O)CN)C	PC-id_82621778	239.334	YTFYLYANJFCMRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024351
s1c2c(CCC2)cc1CNC1C(O)COC1	PC-id_61206677	239.334	VBKRIIDGNXQEJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024352
s1c2c(CCC2)cc1CNC(C)(C)C(=O)O	PC-id_82238378	239.334	WAWOLKOKYLDLNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024353
s1c2CCCc2cc1C(=O)NC(COC)C	PC-id_51185885	239.334	DHRNOZBCIMOUSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024354
s1c2CCCc2cc1C(=O)NOC(C)(C)C	PC-id_82723927	239.334	DJMUHRKDPHXXDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024355
s1c2c(CCC2)c(c1N)C(=O)OCC(C)C	PC-id_82056620	239.334	HTNORTINUYNRQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024356
s1c2c(C(CC2)(CC(=O)O)CN)cc1CC	PC-id_83912492	239.334	QSQKWHRCPIUKLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024357
s1c2C(CN(c2cc1)C(=O)OC(C)(C)C)C	PC-id_10537966	239.334	HTTMCRXDPANXHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024358
s1c2c(C(N)(CC2)C(=O)OC)cc1C(C)C	PC-id_83912496	239.334	SKTSOKYAWHWCAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024359
s1c2c(nc1CC(=O)OCC)C(CC2)(C)C	PC-id_79857892	239.334	COVRVFVTRVZMNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024360
s1c2C(N)(CCc2cc1C(C)C)C(=O)OC	PC-id_83912494	239.334	KCSUXASZVNTZAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024361
S1Cc2c(c([nH]c2C1)C(C)(C)C)CC(=O)O	PC-id_84799854	239.334	ACUNPDOZMRAVOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024362
s1c(CNCCC(=O)OC)cc2CCCc12	PC-id_61208563,EMOLS-id_38138703,MCULE-2146729242	239.334	IALVOUJEQVAKMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024363
s1c(CNCC(=O)OCC)cc2CCCc12	EMOLS-id_38138663,MCULE-9629453648,PC-id_61207605	239.334	FQANRDAFHMILLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024364
c1(CC(C)NC(=O)CN)sc2c(CCC2)n1	MCULE-2747179550,PC-id_83623399	239.337	AKSUDZYYRSKVBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024365
c1(C(=O)N(C)C)c2CSCc2nn1C(C)C	EMOLS-id_324397918,MCULE-6056885324	239.337	FYQXAWCEXJMPBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024366
c1(NC(=O)C(C)(C)C)n(C)nc2CSCc12	MCULE-2389617353,PC-id_52902162,ZINC22_61721403,STOCK7S-16051,EMOLS-id_35790004	239.337	XMPGLOJRMDNILQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024367
c1(NC(=O)CC(C)C)n(C)nc2CSCc12	MCULE-4616256678,EMOLS-id_188945024,STOCK7S-67556,ZINC22_604419039	239.337	OGMFMAGULOKTPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024368
c1(sc2c(CCC2)n1)NC(=O)C(C(C)C)N	PC-id_61511641,MCULE-3593803352,EMOLS-id_300564325	239.337	PQZVGLOPPAJZIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024369
CC(C)(C)C(=O)N1Cc2c(C1)[nH]nc2SC	PC-id_134402298,SCHEMBL20033638	239.337	VFMFBSGXRBAYFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024370
CC(C)CC(=O)N1Cc2c(C1)[nH]nc2SC	SCHEMBL20695702,PC-id_137456375	239.337	SWNVCMWWZDVNAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024371
CCC(CC(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_314790632,PC-id_81976431	239.337	SGZSAYICEWPRRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024372
CCCC(C(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_38357809,PC-id_61511963	239.337	HGACDBDBSAEICU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024373
CC(CCC(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_40255794,PC-id_64090898	239.337	MJFBYMNEZZHIAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024374
CCC[C@@H](C(=O)Nc1sc2c(n1)CCC2)N	PC-id_94225174	239.337	HGACDBDBSAEICU-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024375
CCC[C@H](C(=O)Nc1sc2c(n1)CCC2)N	PC-id_94225175	239.337	HGACDBDBSAEICU-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024376
CCCCN(c1onc2c1CCC2)C(=S)N	PC-id_142903018	239.337	RQHDZCAMLBIBSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024377
CCCCNC(=O)Nc1sc2c(n1)CCC2	PC-id_115573385	239.337	SWRLCFSMQXBKBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024378
CCCCNC(=S)Nc1onc2c1CCC2	SCHEMBL5929514,PC-id_58664484	239.337	QVMQFHDZOAPNDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024379
CCC(C(=O)Nc1sc2c(n1)CCC2)CN	PC-id_65229348,EMOLS-id_41104545	239.337	FIHBJKQODGIQRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024380
CCC(C(=O)Nc1sc2c(n1)CCC2)(N)C	EMOLS-id_42529659,PC-id_79805118	239.337	VSVLDKFBEISHGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024381
CCCNCC(=O)Nc1sc2c(n1)CCC2	PC-id_61809911,EMOLS-id_38603189	239.337	FASREZDEGMCHJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024382
CC(C(=O)Nc1sc2c(n1)CCC2)C(N)C	PC-id_104474569	239.337	BEKDYGVIJHVYKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024383
CCNCCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_39411343,PC-id_62835188	239.337	DSDBSPDRYQNQCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024384
CC(NCC(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_38357815,PC-id_61511966	239.337	HSDKDRMFMCPVJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024385
CCNC(=O)CNCc1sc2c(n1)CCC2	PC-id_115887236	239.337	HECPJENOQXQLLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024386
CCN(C(=O)Nc1sc2c(n1)CCC2)CC	PC-id_115594008	239.337	VUKDJISOULLWFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024387
CC(N)C(=O)NCCc1nc2CCCc2s1	PC-id_110460091,MCULE-7376375241,EMOLS-id_324821082	239.337	MWFALLRYGQWYFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024388
CC(=O)Nc1c2CSCc2nn1C(C)(C)C	PC-id_5235427,CoCoCo_4972546,ChEMBL-DNDi_CHEMBLF0396-0003	239.337	WNOQNZHAXWMQAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024389
CNCCCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357817,PC-id_61512005	239.337	RXNNEJMWZKFILF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024390
CNCC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_79203184,EMOLS-id_42094888	239.337	HVNJIQSHPVKZHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024391
CNC(C(=O)Nc1sc2c(n1)CCC2)(C)C	PC-id_62848021,EMOLS-id_39413983	239.337	AHJNACWEHYYOIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024392
CN(C)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_181137703,MCULE-3158243113,PC-id_110459962	239.337	ZQSVTZBQHYLBJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024393
CNCC(=O)NCCc1nc2CCCc2s1	MCULE-4155264140,EMOLS-id_324826199,PC-id_110460384	239.337	OBHQWMHROAILNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024394
CNC(=O)c1c2CSCc2nn1C(C)(C)C	MCULE-6812097588,EMOLS-id_324397919	239.337	IPNAJAFBDDGTGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024395
CNC(=O)CCNCc1sc2c(n1)CCC2	PC-id_115887337	239.337	NRUBOYCVKBLYMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024396
CNC(=O)[C@H](NCc1sc2c(n1)CCC2)C	PC-id_103897155	239.337	KDJQTJKREXLXOS-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024397
CN(C(=O)CNCc1sc2c(n1)CCC2)C	PC-id_115887235	239.337	JESAWFYOYULJMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024398
CNC(=O)CNC(c1sc2c(n1)CCC2)C	PC-id_115997430	239.337	PPVXVUMAFJKKEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024399
n1c2CCCc2sc1CCN(C)C(=O)CN	MCULE-1468892924,PC-id_83630236	239.337	FPLDZJCQAHMLNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024400
n1c2CCCc2sc1CCNC(=O)CCN	EMOLS-id_324828496,PC-id_110460242,MCULE-1228822318	239.337	KEBHPNZEUPNUQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024401
NCCCCC(=O)Nc1sc2c(n1)CCC2	PC-id_64045582,EMOLS-id_40216500	239.337	SMAHNKCQIGEREJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024402
NCCC(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_315462393,PC-id_80543633	239.337	PSRJWUDPALDAHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024403
NCC(CC(=O)Nc1sc2c(n1)CCC2)C	PC-id_81087148,EMOLS-id_315506595	239.337	XBXLITYHPAGNKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024404
NCC(C(=O)Nc1sc2c(n1)CCC2)(C)C	EMOLS-id_315686507,PC-id_81489288	239.337	OJWWCGZRITWSAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024405
NC(C(=O)N)CNCc1sc2c(c1)CCC2	PC-id_103242952	239.337	QNDMNABAINIKRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024406
N[C@@H](C(=O)Nc1sc2c(n1)CCC2)C(C)C	EMOLS-id_41319107,PC-id_79013354	239.337	PQZVGLOPPAJZIY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024407
N[C@H](C(=O)Nc1sc2c(n1)CCC2)C(C)C	PC-id_61511924,EMOLS-id_38357753	239.337	PQZVGLOPPAJZIY-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024408
NC(=O)CC(NCc1sc2c(n1)CCC2)C	PC-id_115887967	239.337	BRBXJTBNMNTJDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024409
O=c1n(CC2CCCCN2)[nH]c2c1CSC2	PC-id_105501700	239.337	GMEQLKSZOLAAAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024410
O=c1n(CC2CCCNC2)[nH]c2c1CSC2	PC-id_105501699	239.337	CLNNKWKNPRJBOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024411
O=c1n(CC2CCNCC2)[nH]c2c1CSC2	PC-id_105501698	239.337	ZNKFNPYNQHYHGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024412
O=C(CC(N)(C)C)Nc1sc2c(n1)CCC2	PC-id_64679031,EMOLS-id_40697997	239.337	PLGOMKWBWBHVIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024413
O=C(C(N)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_315199624,PC-id_83623317	239.337	IUVJKNGBJWBYMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024414
O=C(NC(C)(C)C)Nc1sc2c(n1)CCC2	PC-id_115573383	239.337	CZWIBTCVSQECPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024415
OC(S1C(=Nc2n1cnc2)C)C1CCCC1	SCHEMBL20743793	239.337	IHMRENOMWPWVDZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-024416
s1c2c(CCC2)cc1CNC(C)/C(=N/O)/N	PC-id_64336563	239.337	HKLGWWFEGUIWSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024417
s1c2c(CCC2)cc1CNCCC(=NO)N	PC-id_64338771	239.337	UHJLPCDNKNRYMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024418
s1c2CCCc2cc1/C(=N/CCOC)/NN	PC-id_62544630	239.337	OTSWTODOSGLCAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024419
s1c2CCCc2nc1C(CNC(=O)CN)C	PC-id_83623390	239.337	ZRNHRSQTCTUZPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024420
s1c2CCCc2nc1C(NC(=O)CCN)C	PC-id_83623340	239.337	UZHCOASDNNVJPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024421
s1c2CCCc2nc1CN(C(=O)CCN)C	PC-id_83629957	239.337	YXYLBVXILJBSMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024422
s1c2CCCc2nc1C(NC(=O)CNC)C	PC-id_83623341	239.337	OICOEGCUJFXKEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024423
s1c2CCCc2nc1CN(C(=O)C(N)C)C	PC-id_83629956	239.337	PZZMVYCMYKLCLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024424
s1c2CCCc2nc1CN(C(=O)CNC)C	PC-id_83629958	239.337	MLBPUEUDAADPDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024425
s1c2c(nc1NC(=O)C(CC)CC)CNC2	PC-id_82194041	239.337	GUTVMFZTTGOFTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024426
s1c2CN(Cc2nc1N)C(=O)C(CC)CC	PC-id_82194154	239.337	DJWVLFHCGROICT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024427
CCNC(=NCCc1cn2c(n1)SCC2)N	PC-id_120363220	239.34	HVIDBUGTLXKIAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024428
CN(C(=NCCc1nc2n(c1)CCS2)N)C	PC-id_120363232	239.34	JBLDAWXCEUSGQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024429
CNC(=NC)NCCc1cn2c(n1)SCC2	PC-id_120363270	239.34	RTLNDFMWSJIQQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024430
[Si](c1oc(N(C)C)c2c1COC2=O)(C)(C)C	PC-id_21638370	239.343	PCPCISJZPRYICI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024431
CC(C)(CC1CCc2c1cc[nH]2)c1ccccc1	PC-id_91370871	239.355	XEUGJYJCNHLEEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024432
n1(c2c(CCC2)cc1CCC)Cc1ccccc1	PC-id_53387295	239.355	CUQGBUAAMIXLNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024433
CCCCS/C=C
/Sc2c(C1=O)[nH]cc2	CoCoCo_5494656,NSC157818,LI_151987	239.357	OBSRPACCEPLRRT-VQHVLOKHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024434
CCCCS/C=C/1Sc2c(C1=O)[nH]cc2	CoCoCo_5494657,PC-id_5944174	239.357	OBSRPACCEPLRRT-CLFYSBASSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024435
CC(C(=O)N1CCc2c1s[n+](c2)C(C)C)C	PC-id_89458194,SCHEMBL14803376	239.357	XBSOAZCMTNOJCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024436
S1c2c([nH]cc2)C(=O)C1=CSCCCC	PC-id_292172	239.357	OBSRPACCEPLRRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024437
CC(c1sc2c(c1)CCC2)NCC(O)(C)C	PC-id_115718647	239.377	PHKSDWMTRLHUAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024438
CC(CCNC(c1sc2c(c1)CCC2)C)O	PC-id_115720251	239.377	CCOZCNRRKFABDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024439
CC(CCNCc1sc2c(c1)CCC2)(O)C	EMOLS-id_42208093,PC-id_79361262	239.377	UEPSSWOXGQWRQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024440
CCC(CNCc1sc2c(c1)CCC2)(O)C	PC-id_114492882	239.377	XDFPXEBXJQIWBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024441
CC[C@@H](NC(c1sc2c(c1)CCC2)C)CO	PC-id_103922540	239.377	PWPXUJLEKXAGGG-HCCKASOXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024442
CCC(NC(c1sc2c(c1)CCC2)C)CO	PC-id_115705320	239.377	PWPXUJLEKXAGGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024443
CCCNC(c1sc2c(c1)CCC2)COC	PC-id_105008789	239.377	FGGXVQVETSBGCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024444
CCCOCC(c1sc2c(c1)CCC2)NC	PC-id_105008252	239.377	IBNVYJVDUTYZPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024445
CC(C(O)(C)C)NCc1sc2c(c1)CCC2	EMOLS-id_41185297,PC-id_65337414	239.377	MBTPGTHKHZLXNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024446
CCCOCCNCc1sc2c(c1)CCC2	PC-id_106451750	239.377	HMGYDRUETDNYBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024447
CCNCc1csc2c1C(C)(C)OC2(C)C	PC-id_114748828	239.377	XFPWUWQQCPWWJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024448
CCOCC(c1sc2c(c1)CCC2)NCC	PC-id_105008195	239.377	FDCNITJQARVSFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024449
CCOCCCNCc1sc2c(c1)CCC2	PC-id_65175055,EMOLS-id_41062100	239.377	LQTNINOXFFDWMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024450
CCOCCNC(c1sc2c(c1)CCC2)C	PC-id_115709955	239.377	KJQWHLGZZWXVGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024451
CCOCC(NCc1sc2c(c1)CCC2)C	PC-id_115717105	239.377	UPWJNRILQRBNGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024452
CC(OCCNCc1sc2c(c1)CCC2)C	PC-id_61484926,EMOLS-id_38339764	239.377	GFQTVPYSBIPVLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024453
CNC(c1sc2c(c1)CCC2)COC(C)C	PC-id_105012959	239.377	SMUKDYOTDKZPQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024454
COCCC(C(c1sc2c(c1)CCC2)N)C	PC-id_105044315	239.377	ZMKYHBWIVSTOFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024455
COCCCC(c1sc2c(c1)CCC2)NC	PC-id_105054735	239.377	XGEOSJMQMZAKMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024456
COCCCCNCc1sc2c(c1)CCC2	PC-id_104647376,EMOLS-id_315873453	239.377	DOIVGBOTOWGHLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024457
COCCCNC(c1sc2c(c1)CCC2)C	PC-id_115705167	239.377	WGXLQNDODVGOPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024458
COCC(CNCc1sc2c(c1)CCC2)C	PC-id_116501225	239.377	KNJXFQFQHKTDLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024459
COCC(NCc1sc2c(c1)CCC2)CC	EMOLS-id_40482184,PC-id_64398109	239.377	ZXLHGSVDFIVSGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024460
COCC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115704351	239.377	ZFNMXXKYLYKJCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024461
COC(C(NCc1sc2c(c1)CCC2)C)C	PC-id_115717106	239.377	TZGAXBAVEAGMOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024462
OCCCCCNCc1sc2c(c1)CCC2	EMOLS-id_38873449,PC-id_62228832	239.377	BMOXYMXDAQLWLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024463
OCC[C@H](NC(c1sc2c(c1)CCC2)C)C	PC-id_103871663	239.377	NQPJWCHBXPVORQ-YHMJZVADSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024464
OCC(CNCc1sc2c(c1)CCC2)(C)C	EMOLS-id_314337801,PC-id_81412154	239.377	GILGRHVPXBWNKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024465
OCC(CNC(c1sc2c(c1)CCC2)C)C	PC-id_115712201	239.377	MZWVYNXSFBPVOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024466
OCCC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115722195	239.377	NQPJWCHBXPVORQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024467
OCC(NC(c1sc2c(c1)CCC2)C)(C)C	PC-id_115927457	239.377	CJBAFYXOXURISK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024468
s1c(CNC(C)CCOC)cc2CCCc12	EMOLS-id_38639929,MCULE-5122486534,PC-id_61873347	239.377	OGTROWYMDXPLNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024469
s1c(C(O)C(C(C)C)CN)cc2c1CCC2	PC-id_65185489	239.377	FLCCSZCTUISJKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024470
s1c(C(O)C(CCC)CN)cc2c1CCC2	PC-id_79412515	239.377	KFFOVVFGSCNRKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024471
s1n(CCCCCCC)c(=O)c2CCCc12	PC-id_85644922	239.377	XUQSJVSHWZILJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024472
CC(C)Cn1nc2CSCc2c1CN(C)C	EMOLS-id_324395870,MCULE-3999191401	239.38	DCUJUIVREDDQRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024473
CC(N(C)C)CNCc1sc2c(n1)CCC2	PC-id_115887420	239.38	VNYBLTCGVWOTDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024474
CN(CCCNCc1sc2c(n1)CCC2)C	PC-id_115887222	239.38	XZYHEGUGVGRXFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024475
s1c2CN(CCCCCCC)Cc2nc1N	PC-id_82194354	239.38	NSPJQANRPSJGRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024476
C[Si](C1=CCc2c1cc[nH]2)(c1ccccc1)C	PC-id_140010841	239.388	OVRBFKOHYLRLDP-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-024477
[Si](OC1Cn2ncnc2C1)(C(C)(C)C)(C)C	PC-id_10444277	239.389	PYEBZRMBCUDZMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024478
CC(C)NCc1[n+](c2c(s1)CCC2)C(C)C	PC-id_89516271,SCHEMBL14882623	239.4	JOIOYWOZVNAOKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024479
S1CC(NCc2sc3c(CCC3)c2)CC1	PC-id_61208150	239.4	APYPIZUTIDVEJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024480
c12c(CCl)cnn1CCN2CC(F)(F)F	EMOLS-id_317867248,MCULE-7185215874	239.625	FCKIKLAMNLNMFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024481
c12cc(nn1CCN2CC(F)(F)F)CCl	EMOLS-id_320438808,MCULE-9273915152	239.625	HRWBLFRJKYYIGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024482
c12CN(Cc1nn(C)c2Cl)CC(F)(F)F	EMOLS-id_324340335,MCULE-4640025961	239.625	NVHXJSZCKNKGTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024483
Clc1n2CCSc2nc1S(=O)(=O)N	PC-id_14422555	239.703	FRPQHSXGJNOVBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024484
Clc1nc2n(c1S(=O)(=O)N)CCS2	PC-id_14422556,SCHEMBL9520652	239.703	GULNIYIJKKSYGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024485
Clc1sc2CCC(Nc3c[nH]nc3)c2c1	PC-id_81251407	239.724	NABJHWSXQSJJJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024486
Clc1c2CNCc2nn1CC1CCCCC1	MCULE-7061401248,EMOLS-id_324338799	239.744	LNCASQPPJXEUMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024487
CCC(C#C)NC1CCc2c1cc(s2)Cl	PC-id_106224956	239.764	VKPZDFCMLRYIPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024488
CC#CCCNC1CCc2c1cc(s2)Cl	PC-id_116642901	239.764	HDGZGDMFKCNCOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024489
CC(NC1CCc2c1cc(s2)Cl)CC#C	PC-id_116126168	239.764	LEULWHIYIQIQTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024490
Clc1cc2c(s1)CCC2NC1CC=CC1	PC-id_116110976	239.764	LNCDMEHXXOSVHB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-024491
Clc1cc2c(s1)CCC2NCCCC#C	PC-id_103271884	239.764	BURCVZXRSBXQHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024492
Clc1sc2c(C(NC(C)(C)C#C)CC2)c1	PC-id_81251973	239.764	UBQATGDYGTXPCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024493
CC(=C1C(=C(C#N)C#N)C2=CSC=C2C1=O)C	PC-id_155268100	240.036	FONCGAOWHBOTEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024494
BrC#CC(=O)N1Cc2c(C1)cn[nH]2	MCULE-7056731624,EMOLS-id_97227465	240.057	ODKNOIIWFZDZDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024495
BrC#CC(=O)N1CCn2c1ccn2	EMOLS-id_107156569	240.057	OHQWRBZAVQNXST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024496
Brc1nc2c(s1)C(CC2)(F)F	PC-id_105502068	240.068	PUNNLSNXNVCACG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024497
CC1(CC2=C(C1)SC(=C2)C(=C)CCCl)C	PC-id_163793521	240.074	MYVNZMTVIBFMMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024498
CC1(C2=C(CN1C(=O)O)C(=NN2C(=O)O)N)C	PC-id_153725374	240.086	MKRLALIDBFWYJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024499
CCOC(=O)N1C2=C(CN(C2)C(=O)O)C(=N1)N	PC-id_151228556	240.086	NNUAURLSOUTTPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024500
COC(=O)C1=C2CCNC2=CN1CCSC	PC-id_155278727	240.093	FRCIJMHKLQQPJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024501
Cn1c2c(c(n1)C(F)(F)F)C(CC2=O)(F)F	SCHEMBL15730081,PC-id_90167560	240.13	RRQJONVADXSJJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024502
Cc1nn2c(c1)CN=C2CCc1ccc(cc1)N	PC-id_163686076	240.137	QYBGWTHTQPUICJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024503
Brc1c2c(n(c1)C)CC(=C2)CCC	PC-id_68459434,SCHEMBL2964817	240.14	XJBAKWPUAOCUNO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-024504
Brc1n(c2CC(=Cc2c1)CCC)C	PC-id_68459944,SCHEMBL2966264	240.14	LLIVHLCJSPFCEL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-024505
CC1=CC=C(C=C1)CCC2=NC3=C(N2C)CCC3	PC-id_155185682	240.163	NAQVFCVMRMWOGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024506
CCn1nc(c2c1C(F)(F)CC2)C(F)(F)F	SCHEMBL18853767	240.173	KOUMWTJFPRLHFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024507
O=CNc1nn(c2c1CN(C2(C)C)C=O)P	PC-id_145072789	240.199	UNKOBDSRYNDGPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024508
Cn1c2c(CS(=O)(=O)C2)c(n1)C(F)(F)F	PC-id_90167943,SCHEMBL15730534	240.203	NQDKOFPBSQNOJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024509
F[C@@H]1CCn2c1cc(n2)S(=O)(=O)C(F)F	PC-id_142577347	240.203	LOIZKHUJHQAIMR-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024510
CC1(c2nn(c(c2CN1C(=O)O)N)C(=O)O)C	PC-id_90832596,SCHEMBL19305457	240.216	IBUFBJFENDFUOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024511
CC1(N=C(n2n1c(=O)[nH]c2=O)C)C(=O)OCC	PC-id_101636498	240.216	QXZYZUYDJZBICB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-024512
O(C(=O)N1Cc2n(nc(N)c2C1)C(=O)OC)C	PC-id_58745288	240.216	CMRLUBOICJDOFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024513
c1ccc(cc1)C(=O)N=C1c2c([nH]nc2N=N1)N	PC-id_136185874	240.221	IILCHIPMTGBRKW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024514
COC(=O)c1nn2c(c1C(=O)OC)C=S=C2	PC-id_102238490	240.236	SXWDGSQYMBFAJG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-024515
s1c2c(nc1C)C(=O)N(CCC(=O)O)C2=O	PC-id_82647036	240.236	FJZGRGIXHWGRPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024516
[SeH]=c1sc2CCSc2s1	PC-id_85950111	240.248	JEUKLJKYGBCFDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024517
CC1CCc2c1c(C=O)nn2CC1CC1(F)F	MCULE-6368723557,EMOLS-id_331004658	240.249	IRFICMZNMNIMKP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024518
CC1CCc2nn(CC3CC3(F)F)c(C=O)c12	MCULE-9729641473,EMOLS-id_330984381	240.249	RIGXHNXHPUNAKS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024519
CC(C)(C)OC(=O)N1Cc2nc(CO)oc2C1	PC-id_66608257,SCHEMBL155409,EMOLS-id_44478342,MCULE-1701611482,ZINC22_91304635	240.256	AOJWKTXUJDICQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024520
CCOC(=O)c1cc2OC(CCCO)Cn2n1	PC-id_150009262,EMOLS-id_337761483	240.256	DCYJWMRISXAKNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024521
COCOC1CCc2c1[nH]nc2C(=O)OCC	PC-id_144693676	240.256	MJOGQLVCWKBEBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024522
O(C(C)(C)C)C(=O)N1C(c2c([nH]oc2=O)C1)C	PC-id_83851026	240.256	QWLMNZILPHJGHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024523
O(C(C)(C)C)C(=O)N1C(c2[nH]oc(=O)c2C1)C	PC-id_83851027	240.256	IVUJOTQKSUEVQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024524
S1c2n(CC1)c(c(c2C(=O)[O-])C(=O)OC)C	PC-id_6930236	240.256	UETFBXMSQAFCKB-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-024525
O=C1c2c(n(nc2)Cc2ccccc2)C/C/1=C/O	PC-id_20146600	240.257	ZEWOQZIIQXMYLX-LUAWRHEFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024526
O=C1c2c(n(nc2)Cc2ccccc2)CC1=CO	PC-id_57200472,SCHEMBL9218142	240.257	ZEWOQZIIQXMYLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024527
O=C1N(C(c2ccccc2)C)C(=O)c2n1ccc2	PC-id_11160797	240.257	UVBQSZBZXAMBRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024528
O=C1N([C@H](c2ccccc2)C)C(=O)c2n1ccc2	PC-id_26793319	240.257	UVBQSZBZXAMBRJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-024529
O=C1N([C@@H](c2ccccc2)C)C(=O)c2n1ccc2	PC-id_26793320	240.257	UVBQSZBZXAMBRJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024530
O=C1N(C(=O)c2c1cn(c2)Cc1ccccc1)C	PC-id_12958501	240.257	WCXRZPJERUSGSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024531
O=C1N(C(=O)c2c1cn(c2)C)Cc1ccccc1	PC-id_12958502	240.257	OYJCDLCVXAFVAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024532
O=Cc1nn(c2c1CCC2)C(=O)c1ccccc1	PC-id_20031084,SCHEMBL10479753	240.257	SMRNOAVJPKHFQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024533
OC(=O)c1nn(c2c1CC=C2)Cc1ccccc1	PC-id_23135174,SCHEMBL5525552	240.257	JYTUKIPRYPRDAD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024534
OC(=O)c1nn(c2c1C=CC2)Cc1ccccc1	SCHEMBL5525300,PC-id_23135157	240.257	FWJQNNPGGFCQMA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024535
OC(=O)c1n[nH]c2c1C=CC2Cc1ccccc1	SCHEMBL6207673,PC-id_69704176	240.257	MQPAVCWJPNTJGM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024536
[O-][N+](=O)c1ccc(cc1)CC1=CCn2c1ccc2	PC-id_139947395	240.257	FQGVXDAADJAOLU-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-024537
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)O	PC-id_122448083,SCHEMBL17970046	240.259	NMRYTXFTWIJDOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024538
CCOC(=O)n1nc2c(c1N)CN(C2CC)O	PC-id_142912124	240.259	USNJPDAMDJTRKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024539
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)O)N	PC-id_122448084,SCHEMBL17970047	240.259	DLLYWRHLEHQWIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024540
OCCOC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_314452485,PC-id_79346537	240.259	FDZVTSZMLLUGOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024541
OCCOC(=O)NC(c1nnc2n1CCC2)C	PC-id_79345507,EMOLS-id_315381871	240.259	HPGSWYMTDLZTBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024542
N#Cc1ccc(OCc2nnc3n2CCC3)cc1	EMOLS-id_3060691,CoCoCo_3779384,ZINC22_3265516,MCULE-7890304645,PC-id_2382067	240.261	GIKLTCOAYLJULZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024543
c1(C(=O)OCC)c2C(C)CCc2n(CCF)n1	MCULE-7753721512,EMOLS-id_330999798	240.274	OONVXJXZTBIXCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024544
c1(C(=O)OCC)c2C(C)CCc2nn1CCF	MCULE-7253777107,EMOLS-id_330981815	240.274	FTFLEBHTTSOHTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024545
OC(=O)CC(C(=O)O)c1cc2CCCc2s1	MCULE-5050903422,EMOLS-id_313876039	240.276	BLRLUPVKQQBRNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024546
s1cc2CC(Cc2c1)(C(=O)OC)C(=O)OC	PC-id_11390812	240.276	OTDUMHYXTFLMSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024547
S1(=O)(=O)C(c2c(C1)coc2)CCC(=O)C=C	PC-id_85626807	240.276	GQZQKDUBOQBTSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024548
S1(=O)(=O)C(c2c(C1)c(oc2)C(=O)C)CC=C	PC-id_10444307	240.276	XBMPXQZAFOZSBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024549
S1(=O)(=O)C(c2c(C1)coc2C(=O)C)CC=C	PC-id_10444308	240.276	QJUBTSPWMGYYRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024550
S1(=O)(=O)Cc2c(C1)coc2C(=O)CCC=C	PC-id_11128412	240.276	AYFZZWZOQJLCRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024551
[O-]C(=O)c1n(c2CCCc2c1)Cc1ccccc1	PC-id_20043131	240.277	OTBPAULHOBIMNN-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-024552
c1(NC(=O)OC)sc2c(CCC2)c1C(=O)N	TIMTEC570016,ZINC22_4749971,PC-id_2970633,CoCoCo_541114,MCULE-2054881921,EMOLS-id_2041684	240.279	YHNZDJJZDIZHFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024553
CC(C(=O)Nc1sc2c(n1)CCC2)C(=O)O	PC-id_114898309	240.279	WXGUMCUBCVFTGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024554
CCOC(=O)c1ccn2c1SCC2C(=O)N	PC-id_139944709	240.279	NFKOSAYHIDWSLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024555
CCOC(=O)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357917,PC-id_5146730	240.279	NVYPQHQMTUUAIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024556
CNC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_315717725,PC-id_81906433	240.279	MATGNMWFJIGZEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024557
NC(=O)CONC(=O)c1sc2c(c1)CCC2	PC-id_112550693	240.279	OWHDKJOZAYXVCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024558
OC(=O)CCC(=O)Nc1sc2c(n1)CCC2	PC-id_61509118,EMOLS-id_38357077	240.279	LBJFSAYOXJXKAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024559
O=C(O)CCNC(=O)c1nc2c(s1)CCC2	MCULE-1863762488,ZINC22_1608730953,EMOLS-id_320367022	240.279	MGSIZPXHAFXOCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024560
s1c2c(CCC2)c(c1NC(=O)CO)C(=O)N	PC-id_16769750	240.279	JNMVNPFRMXIVHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024561
s1c2CCCc2nc1CCNC(=O)C(=O)O	PC-id_83623733	240.279	AUBQLEOSVRCAQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024562
s1c2CCCc2nc1CN(C)C(=O)C(=O)O	PC-id_83629959	240.279	FKNHFWBQZVNPNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024563
s1c2CCCc2nc1CNC(=O)CC(=O)O	PC-id_83623320	240.279	SVNRJBRSJRODKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024564
s1c2CCCc2nc1C(NC(=O)C(=O)O)C	PC-id_83623342	240.279	UILDKQOTRUTQIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024565
S1c2n(CC1)c(c(n2)CC(=O)OCC)C=O	PC-id_82367465	240.279	PSVQLLWXBOAVAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024566
CC/C=C
/C(=C(C#N)C#N)c2c(C1=O)ccs2	PC-id_145426593	240.28	BJUXOKVTTCELTK-OQFOIZHKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024567
[C-]#[N+]/C(=C
/c2sccc2C(=O)C1=C(C)C)/C#N	PC-id_140830374	240.28	SZFJRXMSLIQINK-PKNBQFBNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024568
CCC1Sc2n(C1=NOC(=O)NC)ccn2	PC-id_54283410,SCHEMBL11186483	240.282	RSKIVOKPOBIXOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024569
CNC(=O)ON=C1n2ccnc2SC1(C)C	SCHEMBL10994249,PC-id_54134190	240.282	NWMYTZPTZGIVSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024570
N#CCN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_111853571	240.282	WSJRDXBQWLQMBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024571
N#CC(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_111853766	240.282	IACKJBDMQIANRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024572
S1CCn2c(NC(=O)C3OCCC3)nnc12	PC-id_44007628	240.282	YYPFNYPOBJOOOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024573
n12N=CC(=Nc3ccc(cc3)C)c1n[n+](c2C)C	PC-id_58621653	240.284	NNMXDTAFPFSFAU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024574
s1c2CCCc2c(c1NC=C(C#N)C#N)C#N	PC-id_8198645	240.284	LORMYDQGZNXEPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024575
C1Cc2c(C1)[nH]nc2C(=O)NNC(=S)NN	PC-id_137708519	240.285	IHCBTNHVQXSMPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024576
s1c2c(CCC2)cc1[N+](CC(=O)O)(C)C=O	PC-id_20848192	240.299	OMDRPUNHMRTPQA-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-024577
CC1CCc2c1c(C=O)nn2Cc1ccccc1	EMOLS-id_330999806,MCULE-5902091574	240.3	HQIWLTAZRJBKIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024578
CC1CCc2nn(Cc3ccccc3)c(C=O)c12	MCULE-1239668492,EMOLS-id_330983609	240.3	UVSMVEVKFWVCFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024579
Cc1ccc(cc1)NCc1ccc2n1CCC2=O	PC-id_23911213,SCHEMBL8829546	240.3	CQLPMVRPHXEWGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024580
Cc1ccc(cc1)NCC1Cn2c(C1=O)ccc2	TIMTEC52129,SCHEMBL8829585,PC-id_11776437	240.3	VHKAQZKXFZZISH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024581
CCOC1=Cc2c(C1)n(nc2)Cc1ccccc1	PC-id_118578733,SCHEMBL17338851	240.3	CBELOGZFNACPRP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-024582
CN(C(=O)C1CCn2cccc12)c1ccccc1	EMOLS-id_92333156,SCHEMBL7872117,MCULE-9368357004,PC-id_11299444	240.3	LJSWLZXNTCQFTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024583
O=C(c1cc(n2c1N(C)CC2)C)c1ccccc1	PC-id_102242068	240.3	ZWPKRRKROBOTJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024584
O=C([C@@H]1CCn2c1ccc2)N(c1ccccc1)C	EMOLS-id_323964701	240.3	LJSWLZXNTCQFTC-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024585
OCCn1ncc2c1C(=Cc1ccccc1)CC2	PC-id_3971169	240.3	PQCZRBGFOSRPEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024586
OCCn1ncc2c1/C(=C/c1ccccc1)/CC2	PC-id_5973674	240.3	PQCZRBGFOSRPEK-JLHYYAGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024587
O=C(Nc1ccccc1)c1c2n(CCC2C)cc1	PC-id_14611923	240.3	FGZOWHXSWQRTCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024588
COC(CNC(c1nnc2n1CCC2)C)OC	EMOLS-id_39965407,PC-id_63697072	240.302	RPVYGHNUOCSEAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024589
CC(C)(C(O)C(=O)O)c1cc2CCCc2s1	MCULE-4682519453,EMOLS-id_313850813	240.319	XFCODGQUTRZJJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024590
COC(=O)c1csc2c1C(C)(C)OC2(C)C	PC-id_114748226	240.319	NEDRUPXCEOTSAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024591
O=C(c1csc2c1C(C)OC2)OC(C)(C)C	PC-id_114748305	240.319	ILVUITMHIIQUAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024592
s1c2c(C(O)(CC2)CC(=O)O)cc1C(C)C	PC-id_83912595	240.319	PWYZZSBSMJYOSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024593
s1c2c(C(OC(C)(C)C)(CC2)C(=O)O)cc1	PC-id_84702033	240.319	DXGCDQCFOSWPEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024594
s1c2C(O)(CCc2cc1C(C)C)CC(=O)O	PC-id_83912593	240.319	TYTFYRMBGVFMBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024595
S1Cc2c(c(oc2C1)C(C)(C)C)CC(=O)O	PC-id_84800543	240.319	LGFGMOOBKPVSAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024596
S1(=O)(=O)C(c2c(C1C)coc2)CCCC=C	PC-id_85626795	240.319	ISRYXXDCGVWQRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024597
S1(=O)(=O)C(CCCCC=C)c2c(C1)coc2	PC-id_85626779	240.319	DWJKXEMJGGNAPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024598
c1(NC(=O)OC(C)(C)C)sc2c(CCC2)n1	PC-id_65143016,EMOLS-id_41035116,MCULE-9430978489	240.322	UZPFFFAJEDFWHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024599
Cc1nc2c(CN(C(=O)OC(C)(C)C)C2)s1	EMOLS-id_289910248,MCULE-9461292437,PC-id_142089208,ZINC22_867599079	240.322	CVABIHGHXMMPOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024600
CCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_104287525,EMOLS-id_315844467	240.322	VGCJBNAEJPGQLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024601
CCCCNC(=O)n1sc2c(c1=O)CCC2	PC-id_13035401,SCHEMBL10738666	240.322	JJCULZORPYBMQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024602
CC(C)(C)OC(=O)C1CCc2sc(N)nc12	EMOLS-id_329958643	240.322	HOFJDQPYQFZTSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024603
CCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287449	240.322	XFZRJSGGRSUVGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024604
CC(CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287456,EMOLS-id_315243658	240.322	NPKPVYVSWFIIRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024605
CCCN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104287800,EMOLS-id_315257207	240.322	OYHWKHWKZMOOGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024606
CC(CONC(=O)c1sc2c(c1)CCC2)N	EMOLS-id_319719623	240.322	FFLKESBFLBGOIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024607
CCN(c1nc2c(s1)CCC2C(=O)O)CC	PC-id_104287379	240.322	UKJRGKVVPHPZBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024608
CCOC(C(=O)Nc1sc2c(n1)CCC2)C	MCULE-6299801188,EMOLS-id_31937780,PC-id_45819490	240.322	LGJOMUKKKBAUAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024609
CCO[C@@H](C)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4881707,PC-id_93615871,ZINC22_40523544	240.322	LGJOMUKKKBAUAY-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024610
CCO[C@H](C)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4881708,PC-id_93615872,ZINC22_40523547	240.322	LGJOMUKKKBAUAY-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024611
CCOC(=O)C1CCc2c1nc(s2)N(C)C	PC-id_104287131	240.322	CCAQUQKPCUYNHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024612
CCOC(=O)C1CCc2c1nc(s2)NCC	PC-id_104287470	240.322	RMWCIYLXRFSKRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024613
CCOC(=O)NCCc1nc2CCCc2s1	EMOLS-id_181138313,MCULE-6044958894,PC-id_110460548	240.322	DZBPSZZKLVZMEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024614
CN(CCc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287386	240.322	VRFIMDXWNBBCHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024615
COCC(=O)NCCc1nc2CCCc2s1	MCULE-5003619914,EMOLS-id_181138078,PC-id_110460501	240.322	IOZQPAWARKAOTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024616
COC(=O)c1c2CSCc2nn1C(C)(C)C	MCULE-9213852868,EMOLS-id_324398682	240.322	RFKZQRAAJNLUJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024617
CSCc1n2C(C)C(C(=O)n2c(=O)c1C)C	SCHEMBL13607796,PC-id_70949574	240.322	CCFLXTHASBVPCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024618
NC1(CC1)CCc1cn2c(c1)S(=O)(=O)CC2	PC-id_105502328	240.322	QWTQOOFNZMGTIK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024619
NC(C(=O)O)CNCc1sc2c(c1)CCC2	PC-id_103242937	240.322	RJGRGMDGMXFXAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024620
NC(=O)c1c(N)sc2c1C(C)(C)OC2(C)C	PC-id_79917835,EMOLS-id_315414207	240.322	SZJUPSPYVNUOPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024621
OC1COCC1NCc1sc2c(n1)CCC2	PC-id_115919684	240.322	VBIWCIUCQSMAHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024622
OCCCCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315361109,PC-id_79209061	240.322	BWLIKSVHPFUXTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024623
OC(=O)C1CCc2c1nc(s2)NC(C)(C)C	EMOLS-id_314419140,PC-id_104287436	240.322	DTZHPAIPACUOGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024624
OC(=O)C1CCc2c1nc(s2)N(C(C)C)C	PC-id_104287741,EMOLS-id_315844723	240.322	GXMDKPLGNBJHNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024625
s1c2c(CCC2)c(c1N)C(=O)NCCOC	PC-id_20109787	240.322	VRWMVJARXYEVGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024626
s1c2CCCc2nc1N(C(C)C)CC(=O)O	PC-id_83843181	240.322	YIWIVTRZLAHGBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024627
s1c2CCCc2nc1N(CCCC(=O)O)C	PC-id_83843182	240.322	GMSHOXCPUKKLIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024628
s1c2CCCc2nc1N(C(C)(C)C(=O)O)C	PC-id_83843183	240.322	LRUHUUHHKWUMPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024629
s1c2CCCc2nc1NC(=O)CCC(O)C	PC-id_79192385	240.322	LMULFBOFTMFXHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024630
S1Cc2c(onc2C1)NC(=O)CC(C)(C)C	PC-id_49719019	240.322	YHCONEOGTHWRGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024631
S1Cc2c(onc2C1)NC(=O)C(CC)CC	PC-id_49719020	240.322	NVIALHOXUBQPSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024632
c1(NC(=O)CC(C)(C)C)nnc2SCCn12	ZINC22_4376080,PC-id_7217032,EMOLS-id_16349329,MCULE-6791917578,ChEMBL-DNDi_CHEMBLF2079-0008,CoCoCo_2590454	240.325	DNEZDNXBUMTYIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024633
c1(nnc2SCCn12)NC(=O)C(CC)CC	ChEMBL-DNDi_CHEMBLF2079-0009,EMOLS-id_16349331,CHEMBL1555179,CoCoCo_2590455,ZINC22_8600498,MCULE-4721644308,PC-id_16031317	240.325	UVFORFWUHVOYHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024634
CCCNC(=O)Cn1nc2c(c1N)CSC2	ZINC22_26421990,EMOLS-id_27513003,CoCoCo_5090349,PC-id_33677814,MCULE-9143243692	240.325	YAIYWLRZCIFDGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024635
C[NH+](CCCNc1n2CCCn2c(=O)c1N)C	PC-id_143843342	240.325	XGUXRZUBVKXYDV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-024636
CSC(C(=O)NCc1nnc2n1CCC2)C	EMOLS-id_45752681,MCULE-5050867715,PC-id_71895024	240.325	IZIXCAZXBSUDIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024637
CS[C@@H](C)C(=O)NCc1nnc2n1CCC2	PC-id_94166437,ZINC22_48124300	240.325	IZIXCAZXBSUDIC-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024638
CS[C@H](C)C(=O)NCc1nnc2n1CCC2	ZINC22_48124303,PC-id_94166438	240.325	IZIXCAZXBSUDIC-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024639
s1c2CN(Cc2nc1N)CC(=O)NCCC	PC-id_82194361	240.325	IFQOJYPBGXTSAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024640
O=C(c1sc2c(c1)CCC2)OC1CSC1	EMOLS-id_319751267	240.342	OYPAJQKZFMVYGL-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-024641
c12C(C)CCc1nn(Cc1ccc(cc1)CC)c2	EMOLS-id_330998180,MCULE-1614560118	240.343	BUQTXBYKVJKGCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024642
c12C(C)CCc1nn(Cc1ccccc1CC)c2	EMOLS-id_330998444,MCULE-2717597120	240.343	QVYOFWMQUXHDRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024643
c12C(C)CCc1nn(Cc1ccc(cc1C)C)c2	EMOLS-id_330999460,MCULE-8232841490	240.343	KYOALOFNCKTRGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024644
c12C(C)CCc1nn(Cc1c(C)cccc1C)c2	EMOLS-id_330997932,MCULE-4765481773	240.343	QKOXYRDFARKQET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024645
c12C(C)CCc1nn(Cc1ccc(c(C)c1)C)c2	MCULE-2723825002,EMOLS-id_330997924	240.343	LYXVCKVXTBVFQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024646
c12C(C)CCc1nn(Cc1cccc(C)c1C)c2	MCULE-3744826931,EMOLS-id_330998188	240.343	DUJYXXKROAOGMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024647
c12C(C)CCc1nn(Cc1cc(C)ccc1C)c2	MCULE-8781077933,EMOLS-id_331001771	240.343	WYVLVIDMTAYELP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024648
c12C(C)CCc1nn(Cc1cc(C)cc(C)c1)c2	EMOLS-id_331001516,MCULE-8071235913	240.343	KILIJOQRLLUHJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024649
c12C(C)CCc1nn(Cc1cccc(CC)c1)c2	MCULE-1617781258,EMOLS-id_331001772	240.343	MCQMHSKAQGWSDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024650
CC1CCc2c1cnn2Cc1cc(C)ccc1C	EMOLS-id_331015918,MCULE-6468363156	240.343	RXSAXCJPDUGVKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024651
CC1CCc2c1cnn2Cc1c(C)cccc1C	EMOLS-id_331016174,MCULE-1773837555	240.343	NVGYPUAQEFHKKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024652
CC1CCc2c1cnn2Cc1cccc(C)c1C	EMOLS-id_331016430,MCULE-6654059155	240.343	FEUONYVKYZOVCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024653
CC1CCc2c1cnn2Cc1ccc(C)cc1C	EMOLS-id_331017702,MCULE-1805142606	240.343	USJHDARADXXFJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024654
CC1CCc2c1cnn2Cc1ccc(C)c(C)c1	EMOLS-id_331016166,MCULE-9026851303	240.343	JEJBQKGLKPUQOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024655
CC1CCc2c1cnn2Cc1cc(C)cc(C)c1	MCULE-8893205858,EMOLS-id_331015663	240.343	FAGFLJZAIHWOTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024656
CC(c1ccccc1C)n1cc2C(C)CCc2n1	MCULE-2790365318,EMOLS-id_331004065	240.343	AMGQZDKZWYSAOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024657
CCc1ccccc1Cn1ncc2C(C)CCc12	MCULE-6110328561,EMOLS-id_331016686	240.343	PGABZAPEHMRHTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024658
CC(c1cccc(C)c1)n1cc2C(C)CCc2n1	EMOLS-id_331002272,MCULE-8161129364	240.343	YODXQGJFKFEOKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024659
CC(c1ccc(C)cc1)n1cc2C(C)CCc2n1	MCULE-3397163086,EMOLS-id_330999469	240.343	MORIWOOKJNPPOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024660
CCc1cccc(Cn2ncc3C(C)CCc23)c1	EMOLS-id_331015919,MCULE-8532881923	240.343	SCHMRFZXCQTERS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024661
CCc1ccc(Cn2ncc3C(C)CCc23)cc1	EMOLS-id_331016422,MCULE-6373083242	240.343	BTVBIVCGLYYKLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024662
CC(c1nn(c2c1CCC2)Cc1ccccc1)C	PC-id_138514608,SCHEMBL20866265	240.343	QPVREXNQIYOJTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024663
n12C(CC(NCc3ccccc3)c1ccc2)(C)C	PC-id_4615073	240.343	NSXBGMFSQWNAFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024664
CCC(=S)NCc1c2CNC(=O)c2cs1	SCHEMBL20329524,PC-id_135178830	240.345	KHZSSEZXPZPYOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024665
CNc1sc2c(c1C(=O)N)C[N+](C2)(C)CC	SCHEMBL18902136	240.345	PSRHBBIVFGUQRM-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-024666
NC(=S)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_38081606,PC-id_61126880	240.345	BUJWGIVSFOPAKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024667
s1c2CNCc2nc1NC(=S)NCC=C	PC-id_82194105	240.348	PFKCEWIXFHVFAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024668
s1c2CN(Cc2nc1N)C(=S)NCC=C	PC-id_82194216	240.348	FINJIJQVRQGXGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024669
S=C(N)c1n2c(CCC2)c(c1N)C(=S)N	PC-id_13929292	240.348	HPLWSECEVYEMRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024670
CC(c1sc(c2c1CCC2)C(O)(C)C)(O)C	PC-id_102575726	240.362	QVTBYIYBHZWPRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024671
COCCC(C(c1sc2c(c1)CCC2)O)C	PC-id_115836122	240.362	RGJHBVPLKWGNMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024672
CC(c1nc2c(s1)C(OC2(C)C)(C)C)(N)C	PC-id_79918451,EMOLS-id_315414719	240.365	VALOXYKNMGOMNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024673
n12C(CC(NCc3ccncc3)c1ccc2)(C)C	PC-id_4086123	241.331	HJBWXEBWDLOENV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-024975
CC(c1sc2c(n1)CCC2)NCC(O)(C)C	PC-id_115997450	240.365	NLXDOXSMZZALGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024674
CCC(c1nc2c(s1)C(OC2(C)C)(C)C)N	PC-id_79918050,EMOLS-id_315120680	240.365	TTWWVAKEOJHWRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024675
CC(Cc1nc2c(s1)C(OC2(C)C)(C)C)N	PC-id_79918666,EMOLS-id_315415487	240.365	SCAJWFOUHFLSCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024676
CCCC(CNCc1sc2c(n1)CCC2)O	PC-id_109948580	240.365	BMNGXFQPRSDSLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024677
CCC(CCNCc1sc2c(n1)CCC2)O	PC-id_109948718	240.365	HUEHZUWNBGTZRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024678
CC(CCN(Cc1sc2c(n1)CCC2)C)O	PC-id_115904001	240.365	YQFPBCANPLVFEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024679
CC(CCNC(c1sc2c(n1)CCC2)C)O	PC-id_115997457	240.365	ODZMIQFMQOODOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024680
CCC(CNCc1sc2c(n1)CCC2)(O)C	PC-id_115887464	240.365	IEEVIXCTIZVTKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024681
CC[C@@H](NC(c1sc2c(n1)CCC2)C)CO	PC-id_103960969	240.365	RNTBIPBRPDTGKY-YGPZHTELSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024682
CCCNc1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79916120,EMOLS-id_315413695	240.365	MLZZSTZCWOEEMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024683
CCCN(Cc1sc2c(n1)CCC2)CCO	PC-id_109974581	240.365	ISOSECFCMAOECF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024684
CCC(NC(c1sc2c(n1)CCC2)C)CO	PC-id_115869623	240.365	RNTBIPBRPDTGKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024685
CC(C(NCc1sc2c(n1)CCC2)(C)C)O	PC-id_115888102	240.365	YFRRCSOIUNJPQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024686
CCC(NCc1sc2c(n1)CCC2)(CO)C	PC-id_109948554	240.365	GCHRZQXGZBHNTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024687
CCCOCC(c1sc2c(c1)CCC2)NN	PC-id_105321413	240.365	RSBIJEVYOHYGSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024688
CC(Nc1nc2c(s1)C(OC2(C)C)(C)C)C	EMOLS-id_315413951,PC-id_79916121	240.365	MYRXHTQYURWQIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024689
CCNCc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_315414975,PC-id_79916567	240.365	NJHFTHBFMJWSKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024690
CCNC(c1sc2c(n1)CCC2)(COC)C	EMOLS-id_39145522,PC-id_62537037	240.365	HFBLYNJGXMLUGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024691
CCOCC(c1sc2c(n1)CCC2)(NC)C	PC-id_116247842	240.365	TUNOFJGDJDSDGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024692
CCOCCCNCc1sc2c(n1)CCC2	PC-id_115887208	240.365	TUOIKCDQFQADML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024693
CC(OCCNCc1sc2c(n1)CCC2)C	PC-id_104588170	240.365	WQKUVXJCDJOQPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024694
CCOCCNC(c1sc2c(n1)CCC2)C	PC-id_115869647	240.365	WQXJKWUVZWYJGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024695
CCOC(CNCc1sc2c(n1)CCC2)C	PC-id_115887721	240.365	XSQYCAXAHJPEIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024696
CNCCc1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79918053,EMOLS-id_315415231	240.365	UVAVTVONBPLZCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024697
CN(CC(O)(C)C)Cc1sc2c(n1)CCC2	PC-id_109974869	240.365	KKDPGILSDGAJMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024698
COCC(c1sc2c(n1)CCC2)(C(C)C)N	EMOLS-id_315478788,PC-id_80411248	240.365	SMPNZVKPZUXGLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024699
COCC(c1sc2c(n1)CCC2)(NC)CC	EMOLS-id_40483384,PC-id_64397947	240.365	PEWNEYQRPUIVCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024700
COC(C(c1sc2c(n1)CCC2)(NC)C)C	PC-id_116161202	240.365	MFSVUZFGMGHGOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024701
COCCC(c1sc2c(n1)CCC2)(NC)C	EMOLS-id_38640911,PC-id_61871976	240.365	ZSOHCTHIRMFQHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024702
COC(CC(c1sc2c(n1)CCC2)N)(C)C	PC-id_106676082	240.365	GYPVXHBRBJGTDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024703
COCC(C(c1sc2c(n1)CCC2)NC)C	PC-id_116502417	240.365	SAADUOIQSBVZTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024704
COCCCC(c1sc2c(c1)CCC2)NN	PC-id_105342500	240.365	BZGXYWYCXRDMLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024705
COCCCCNCc1sc2c(n1)CCC2	PC-id_115887285	240.365	MXJGCFLZXFWETH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024706
COCCC(NCc1sc2c(n1)CCC2)C	PC-id_115887382	240.365	WZGHSBGQASBCIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024707
COCCCNC(c1sc2c(n1)CCC2)C	PC-id_115997427	240.365	IUPOAIIWHHNJSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024708
COCCNc1nc2c(s1)C(CC2C)(C)C	PC-id_106662910	240.365	ICWZZOFXRQHEON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024709
COCCNC(c1sc2c(n1)CCC2)(C)C	EMOLS-id_39150895,PC-id_62542262	240.365	VTSCDQIASUUIPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024710
COCC(NC(c1sc2c(n1)CCC2)C)C	PC-id_115869611	240.365	WXMDLMIRAZMNCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024711
COCC(NCc1sc2c(n1)CCC2)(C)C	PC-id_115887405	240.365	UOKBMUFFQWAIKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024712
COCC(NCc1sc2c(n1)CCC2)CC	PC-id_115887635	240.365	QPRCGLJWDRYFQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024713
COC(CNCc1sc2c(n1)CCC2)(C)C	PC-id_115887733	240.365	DLINGFHBQUZKBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024714
COCCNC(c1sc2c(n1)CCC2)CC	PC-id_62542084,EMOLS-id_39150887	240.365	GRBWVKWKLVQXBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024715
COCCNCc1sc2c(n1)C(CC2)(C)C	PC-id_79857883,EMOLS-id_42568885	240.365	YHPLZRVTJFWFKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024716
NCC(c1nc2c(s1)C(OC2(C)C)(C)C)C	EMOLS-id_314352695,PC-id_79918456	240.365	SQRVYZDSXPEZHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024717
NCCCc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_314375537,PC-id_79918054	240.365	YFTVKAROBWGUEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024718
NNC(c1sc2c(c1)CCC2)COC(C)C	PC-id_105323714	240.365	JQGPQYUSYSEZIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024719
OC(C(C)C)CNCc1sc2c(n1)CCC2	PC-id_109948596	240.365	TVHIBSNKMGKEIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024720
OCCC(CNCc1sc2c(n1)CCC2)C	PC-id_109948679	240.365	HSTGMAGMCRDHJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024721
OCCCC(NCc1sc2c(n1)CCC2)C	PC-id_109948707	240.365	CXQAHPXTPKGYEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024722
OCC[C@H](NC(c1sc2c(n1)CCC2)C)C	PC-id_103874848	240.365	OTIPVQVIHOBCBD-VEDVMXKPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024723
OCC(CNC(c1sc2c(n1)CCC2)C)C	PC-id_109908741	240.365	QMBIFLPKKLMKSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024724
OCC(C(NCc1sc2c(n1)CCC2)C)C	PC-id_109948629	240.365	RESZKQXTUJAROD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024725
OCCC(NCc1sc2c(n1)CCC2)CC	PC-id_109948636	240.365	HQEVFBGKDHOZDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024726
OCCC(NCc1sc2c(n1)CCC2)(C)C	PC-id_109948672	240.365	ZRXMKXPVHDZCAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024727
OCC(CNCc1sc2c(n1)CCC2)(C)C	PC-id_115887993	240.365	OUSRSNHTIOXXPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024728
OCCC(NC(c1sc2c(n1)CCC2)C)C	PC-id_115997461	240.365	OTIPVQVIHOBCBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024729
OC[C@H](C(C)C)NCc1sc2c(n1)CCC2	PC-id_103897153	240.365	WFJFYFLVDVNZNG-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024730
OCC(N(Cc1sc2c(n1)CCC2)C)(C)C	PC-id_115903867	240.365	QPZPJFRQYNGWRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024731
OCC(NC(c1sc2c(n1)CCC2)C)(C)C	PC-id_115997512	240.365	DSKMDUGFBLLBSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024732
OCCN(C(C)C)Cc1sc2c(n1)CCC2	PC-id_115903813	240.365	VECLLLFQTUMHGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024733
CSCCCNC(c1nnc2n1CCC2)C	EMOLS-id_37811124,PC-id_43748042	240.368	TTYSMRRXTFOOHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024734
NC(c1sc2c(n1)CCC2)C1CCSC1	PC-id_107133273	240.388	RNCSGOPLORNNOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024735
s1c2CCCc2nc1[C@@H](N)CSCC=C	PC-id_83298162	240.388	AHDUVMAYJKHTME-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024736
s1c2C(=O)[C@@](O[Si](C)(C)C)(Cc2cc1)C	PC-id_11470502	240.394	OKEBIWBNGBCCQE-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-024737
s1c2C(=O)C(O[Si](C)(C)C)(Cc2cc1)C	PC-id_72974287	240.394	OKEBIWBNGBCCQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024738
S1C(Sc2sc(=S)sc12)OC	PC-id_4044662	240.41	PPRLHHPHVZDBSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024739
C1CSc2nc(c(n12)S(=O)(=O)O)Cl	SCHEMBL3875671,PC-id_85540410	240.688	FRTSTXDRRRMVFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024740
c1(NC(=O)CCl)sc2c(CCC2)c1C#N	EMOLS-id_826596,CoCoCo_3781476,SCHEMBL6246194,MCULE-3394445558,TIMTEC213057,PC-id_3568544	240.709	IFPYPHZLEFBRSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024741
ClC(=O)Cc1c2c(oc1C(C)(C)C)CCC2	PC-id_83610539	240.726	XSACRNFUTAQOOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024742
Clc1sc2c(C(NCC(C)C#N)CC2)c1	PC-id_81252501	240.752	MANOOZIERAXVED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024743
c12CCC(C)c1c(nn2C(CC)CC)CCl	MCULE-4942040150,EMOLS-id_331027975	240.772	WYCRMWSYYJCTFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024744
c12C(C)CCc1n(nc2Cl)CC(CC)CC	MCULE-6048704422,EMOLS-id_330976766	240.772	VJCKJZPZEVRXJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024745
c12C(C)CCc1n(nc2Cl)CCC(C)(C)C	MCULE-9815041554,EMOLS-id_330975742	240.772	TXJPTQJVPULGJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024746
c12C(C)CCc1nn(CCC(C)(C)C)c2Cl	MCULE-4123962320,EMOLS-id_330962096	240.772	RSWWYJKQNVIOJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024747
c1(CCl)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_331013046,MCULE-2858467195	240.772	WTLQDKGJWQGUNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024748
CC1CCc2c1c(CCl)nn2CC(C)(C)C	MCULE-8306260956,EMOLS-id_331027463	240.772	YORBLJZGKIGTGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024749
CC1CCc2nn(CC(C)(C)C)c(CCl)c12	EMOLS-id_331012790,MCULE-5091851125	240.772	SWKMWWWBIGWQPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024750
CCC(CC)Cn1nc2CCC(C)c2c1Cl	MCULE-8417785426,EMOLS-id_330963120	240.772	ISKJWQINQREHMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024751
CC(C)CCn1nc2CCC(C)c2c1CCl	EMOLS-id_331010741,MCULE-1102967225	240.772	ZSRFRWQOAWUXFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024752
CC(C)C(C)n1nc2CCC(C)c2c1CCl	MCULE-9445183212,EMOLS-id_331009724	240.772	IPYNAPDAUQALAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024753
CC(C)C(C)n1nc(CCl)c2C(C)CCc12	EMOLS-id_331027719,MCULE-6494826897	240.772	XDSFETQSZGSLBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024754
CC(C)CCn1nc(CCl)c2C(C)CCc12	EMOLS-id_331029509,MCULE-9494187004	240.772	DZNZCOGPTLZKMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024755
CC(n1nc2CCC(C)c2c1Cl)C(C)(C)C	MCULE-6034477085,EMOLS-id_330964400	240.772	NVESGZTZEOUSLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024756
CC(n1nc(Cl)c2C(C)CCc12)C(C)(C)C	EMOLS-id_330974207,MCULE-4281371453	240.772	KTSCIBWRSPZJOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024757
C1CC2=C(C1)NN=C2C(=O)CNC(=S)S	PC-id_162186358	241.034	JTKHNBZYXRHFGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024758
CN(CC1CN2C=C(N=C2O1)[N+](=O)[O-])C(=O)[O-]	PC-id_153915352	241.058	VMPMPTWJUJYPMY-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-024759
C1CN2C(=CN=C2C1=CC3=CC=CC=C3)[N+](=O)[O-]	PC-id_154104675	241.085	KQXNYPYFEWIGSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024760
CCOC(=O)/C(=NO)/c1c2CC(Cn2cn1)F	PC-id_163992277	241.086	UBQSIUHKGWDDJU-LCYFTJDESA-N	00000010100000000001000010000000000000000000000000000000	25-01-024761
Clc1n2CCCc2nc1S(=O)(=O)Cl	PC-id_84702385	241.095	CHDKSAUTPUPVJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024762
Clc1nc2n(CCC2)c1S(=O)(=O)Cl	PC-id_84702386	241.095	ULUALWYHQROQCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024763
Clc1nn2c(c1S(=O)(=O)Cl)CCC2	SCHEMBL16825324,PC-id_118164842	241.095	VSXZFLDCGOJABU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024764
CC1=CC=C(C=C1)OC(=O)C2=CC3=C(N2)CCC3	PC-id_154375334	241.11	ALXPXCBMRFAHQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024765
COC1=CC=C(C=C1)OCC2C=CN3C2=CC=C3	PC-id_154365904	241.11	DRXRLNDZJRIYEW-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-024766
CC1=CC(=CN=C1)NC(=O)C2=CC3=C(N2)CCC3	PC-id_154807200	241.122	SWBXKZUQZHUHNT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-024767
CC1=C2CC[C@H](C2=NN1COCCSC)N	PC-id_154963997	241.125	MGALGAVHCSXKQE-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024768
Brc1c2CCCc2nn1CC1CC1	EMOLS-id_324388442,MCULE-9372414255	241.128	GBKSLKKRKCLROV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024769
Brc1[nH]cc2C(NC3CC3)CCc12	PC-id_83912644	241.128	LLUNOHHQTNCAJR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-024770
Cc1cc2c([se]1)C(=C(C)C)C(=O)O2	PC-id_140693327	241.145	UIGMFHUMGSEJFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024771
O1C(Cn2c1nc([N+](=O)[O-])c2)(CNC(=O)[O-])C	SCHEMBL5544201,PC-id_23081141	241.181	TWWFDHAYTAMYQA-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-024772
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCC(=O)O)C	SCHEMBL5536536,PC-id_23081106	241.201	GQRZBECQDPGURK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024773
F[C@@H]1COC[C@@H]1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_319048018	241.219	FFPSMUGOMOYRTO-SVRRBLITSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024774
CCO[P+](C1=Cc2n(C1)ccc2)(OCC)[O-]	PC-id_101699820	241.223	VAOWTBVBGFYYOD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-024775
S1/C(=C(N=O)/C(=O)OCC)/Nn2c1nnc2	PC-id_5456003	241.227	SUUBRPQRIPXIKD-PLNGDYQASA-N	00000010100000000001000010000000000000000000000000000000	25-01-024776
S1/C(=C(/N=O)C(=O)OCC)/Nn2c1nnc2	PC-id_56691588	241.227	SUUBRPQRIPXIKD-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024777
S1C(=C(N=O)C(=O)OCC)Nn2c1nnc2	PC-id_6754629	241.227	SUUBRPQRIPXIKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024778
O=C(c1occ2c1CCC2)N1CCC(C1)(F)F	EMOLS-id_102372840	241.234	KWEKSEOBDMFJSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024779
FC(C1(CC1)C(=O)NC1CCn2c1ncc2)F	MCULE-8229867346,EMOLS-id_313172026	241.237	PEFIPSHDLGHITE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024780
O=C(C1CC1(F)F)NCc1cnc2n1CCC2	MCULE-9482810588,EMOLS-id_320092589	241.237	BXIYOQRYARNARI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024781
O=C(C1CC1(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319003267	241.237	CRYPNDNWCZMTIL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024782
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)(F)F	EMOLS-id_102700150	241.237	BSIHCRLLOITUPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024783
O=C(N[C@@H]1CCn2ccnc12)C1(C(F)F)CC1	ZINC22_843601903	241.237	PEFIPSHDLGHITE-SSDOTTSWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024784
O=C(N[C@H]1CCn2ccnc12)C1(C(F)F)CC1	ZINC22_843601904	241.237	PEFIPSHDLGHITE-ZETCQYMHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024785
O1c2c(n(c(c2)C(=O)c2ccccc2)C)CC1=O	PC-id_10220404,SCHEMBL7678702	241.242	XHKGOMRZPYPOTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024786
O1c2c([nH]c(c2C)C(=O)c2ccccc2)CC1=O	PC-id_18424300,SCHEMBL7676801	241.242	QDLGARGWINWYDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024787
O1c2c([nH]c(c2)C(=O)c2ccc(cc2)C)CC1=O	SCHEMBL7676874,PC-id_9816198	241.242	CFKRSHAFSZDEPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024788
CC(OCC1Oc2n(C1)cc(n2)[N+](=O)[O-])(C)C	SCHEMBL5539431,PC-id_23081442	241.244	KEEHYZRSHQGTBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024789
COC(=O)c1nn2c(c1C(=O)OC)C=[SH-]=C2	PC-id_102238488	241.244	OPKKCIWKZGICBQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-024790
O1[C@@H](Cn2c1nc([N+](=O)[O-])c2)COC(C)(C)C	PC-id_73953242	241.244	KEEHYZRSHQGTBQ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024791
o1nc2n(C(CC2)CCCC(N)C(=O)O)c1=O	SCHEMBL6795652,PC-id_23500521	241.244	OMVXEPRRPVIBMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024792
s1c2CCC(c2nc1NC(=O)OC)C(=O)[O-]	PC-id_75692194	241.244	HZWABAZZCNOEQR-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-024793
s1c2CC[C@@H](c2nc1NC(=O)OC)C(=O)[O-]	PC-id_52194721	241.244	HZWABAZZCNOEQR-BYPYZUCNSA-M	00000010100000000001000010000000000000000000000000000000	25-01-024794
s1c2CC[C@H](c2nc1NC(=O)OC)C(=O)[O-]	PC-id_52194723	241.244	HZWABAZZCNOEQR-SCSAIBSYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-024795
[O-][N+](=O)c1cc(C=C2CCc3c2[nH]nc3)ccc1	EMOLS-id_300599345,PC-id_4963212,MCULE-3791680191	241.245	QWZYFIRSBDMABO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024796
[O-][N+](=O)c1cccc(c1)/C=C
/CCc2c1[nH]nc2	CoCoCo_3743549,CoCoCo_3743547	241.245	QWZYFIRSBDMABO-POHAHGRESA-N	00000010100000110001000010000000000000000000000000000000	25-01-024797
O=[N+]([O-])c1cccc(/C=C/2CCc3cn[nH]c23)c1	ZINC22_5072728,PC-id_6532935,CoCoCo_3743546,CoCoCo_3743548,GD-id_ZINC05072728	241.245	QWZYFIRSBDMABO-UXBLZVDNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024798
O=N(=O)c1cnn2c1/C(=C/c1ccccc1)/CC2	CT-id_4031834,PC-id_139094576	241.245	CVWPWMSBENYQFG-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024799
CC(N(c1n2CCCn2c(=O)c1[N+](=O)[O-])N)C	PC-id_23158422,SCHEMBL2925963	241.247	AACHSQCPPKNCRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024800
CC(NNc1n2CCCn2c(=O)c1[N+](=O)[O-])C	SCHEMBL2925965	241.247	GVHAKTZGRSWOCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024801
CCCC1CC(c2n1nc(n2)C(=O)OCC)F	SCHEMBL20641105,PC-id_137408322	241.262	XTTWTAMAWKHJHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024802
CCCC(C)NC(=O)c1nn2CCOc2c1F	PC-id_91960128	241.262	FCPNCYYRWJQQNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024803
CCC[C@@H]1C[C@@H](c2n1nc(n2)C(=O)OCC)F	SCHEMBL20641107,PC-id_137408324	241.262	XTTWTAMAWKHJHZ-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024804
CCOC(=O)c1nn2C(CC(c2n1)F)C(C)C	SCHEMBL20645966,PC-id_137412553	241.262	CNCZSVSXVMOVPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024805
CCOC(=O)c1nn2[C@@H](C[C@@H](c2n1)F)C(C)C	SCHEMBL20645969,PC-id_137412556	241.262	CNCZSVSXVMOVPJ-YUMQZZPRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024806
CCOC(=O)c1nn2c(n1)[C@H](CC2C(C)C)F	PC-id_138515981,SCHEMBL20867818	241.262	CNCZSVSXVMOVPJ-JAMMHHFISA-N	00000010100000000001000010000000000000000000000000000000	25-01-024807
c1(C(=O)OCC)sc2CCCc2c1N(=O)=O	EMOLS-id_330871105,MCULE-9562575940	241.264	OEYJAGDZRQHWKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024808
CCOC(=O)c1c2n(CCS2)c(c1)C(=O)O	PC-id_89734158,SCHEMBL15166328	241.264	QUQVNJSIRHOQQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024809
COC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_37532215,PC-id_43145456	241.264	DSXPXXUAUHXTMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024810
Fc1c(Cn2nc(c3c2CCC3)C#N)cccc1	PC-id_71285377,SCHEMBL14746056	241.264	BHIKOTNDVBBDRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024811
n1(Cc2ccccc2)nc(c2CC(F)Cc12)C#N	SCHEMBL5531383,MCULE-8039912913,PC-id_17972412	241.264	VNWGHHJMSSOLCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024812
OC(=O)CONC(=O)c1sc2c(c1)CCC2	EMOLS-id_37262556,PC-id_60667870	241.264	SZJQTBTVFVZNLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024813
S1c2n(CC1)c(c(c2C(=O)O)C(=O)OC)C	PC-id_586447	241.264	UETFBXMSQAFCKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024814
S1Cc2n(C1)cc(c2C(=O)OC)C(=O)OC	PC-id_15497115	241.264	BRHKOODJFVVAFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024815
S1(=O)(=O)c2c([nH]c(c2)C(=O)OCC)C=C1C	PC-id_53342460	241.264	ZWJTUOVLGSBVNJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-024816
S1(=O)(=O)Cc2c(C1)cn(c2)C(=O)OCC=C	PC-id_11770590	241.264	ICXFXYQTNLDQEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024817
c1(N(=O)=O)c2CN(Cc2sc1C(=O)NC)C	MCULE-7454854303,EMOLS-id_330872904	241.267	YJYMLPPLGGYHOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024818
NCC(=O)N[C@H]1c2ccsc2/C(=N/O)/[C@H]1O	CoCoCo_5749105,ZINC22_5822588	241.267	AOXDUDHXBDCGQS-WMTSNWNISA-N	00000010100000000000000010000000000000000000000000000000	25-01-024819
NCC(=O)N[C@H]1c2ccsc2/C(=NO)/[C@H]1O	ZINC22_104315559,CoCoCo_5749112	241.267	AOXDUDHXBDCGQS-DOOYMYKDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024820
NCC(=O)N[C@@H]1c2ccsc2/C(=NO)/[C@H]1O	ZINC22_104315561,CoCoCo_5749108,PC-id_93476348	241.267	AOXDUDHXBDCGQS-KKGHIFLTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024821
NCC(=O)N[C@@H]1c2ccsc2/C(=N/O)/[C@H]1O	ZINC22_38257003,CoCoCo_5749109	241.267	AOXDUDHXBDCGQS-SMWPYCBLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024822
NCC(=O)N[C@H]1[C@@H](O)/C(=N/O)/c2c1ccs2	CoCoCo_5749106	241.267	AOXDUDHXBDCGQS-KSMMHMRKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024823
NCC(=O)N[C@H]1[C@@H](O)/C(=NO)/c2c1ccs2	CoCoCo_5749107	241.267	AOXDUDHXBDCGQS-JCDJAGCISA-N	00000010100000000000000010000000000000000000000000000000	25-01-024824
NCC(=O)N[C@@H]1[C@@H](O)/C(=N/O)/c2c1ccs2	CoCoCo_5749110	241.267	AOXDUDHXBDCGQS-OTFWSMRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024825
NCC(=O)N[C@@H]1[C@@H](O)/C(=NO)/c2c1ccs2	CoCoCo_5749111	241.267	AOXDUDHXBDCGQS-IOIKZQDESA-N	00000010100000000000000010000000000000000000000000000000	25-01-024826
NC(=O)CNc1sc2c(n1)C(CC2)C(=O)O	EMOLS-id_314331233,PC-id_104287471	241.267	FRRNPWYYLRLRAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024827
OC(c1c2[n+]([nH]c1)CCN2)CN(CC(=O)O)C	PC-id_82387490	241.267	PHHNRABILUFEKP-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-024828
OC(=O)CNC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357863,PC-id_61509836	241.267	MBLITSBQCCNGIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024829
s1c2c([C@H](NC(=O)CN)[C@H](O)C2=NO)cc1	PC-id_387816	241.267	AOXDUDHXBDCGQS-XPUUQOCRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024830
s1c2c(C(NC(=O)CN)C(O)C2=NO)cc1	PC-id_499495	241.267	AOXDUDHXBDCGQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024831
s1c2c(C(NC(=O)CN)C(O)/C/2=N/O)cc1	PC-id_6139199	241.267	AOXDUDHXBDCGQS-GHXNOFRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024832
N#Cc1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	PC-id_18626999,SCHEMBL6628547	241.268	YJSXBANKTHBJQW-RUDMXATFSA-N	00000010110000000000000010000000000000000000000000000000	25-01-024833
N#Cc1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL6628545	241.268	YJSXBANKTHBJQW-WTKPLQERSA-N	00000010110000000000000010000000000000000000000000000000	25-01-024834
N#Cc1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	SCHEMBL6628549,PC-id_69844698	241.268	YJSXBANKTHBJQW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-024835
CC1(C(=NOC(=O)NC)n2cnnc2S1)C	PC-id_88743466,SCHEMBL11214148	241.27	ZXXFLSDNIMCYTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024836
s1c2CN(Cc2nc1N)CC(=O)NC(=O)N	PC-id_82194279	241.27	KZDKTUYZZRSVOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024837
CC1CCc2c1c(CN)nn2CC1CC1(F)F	EMOLS-id_331010815,MCULE-7142955930	241.28	YFJNHFKXVLQRRO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024838
CC1CCc2nn(CC3CC3(F)F)c(CN)c12	EMOLS-id_330996665,MCULE-9590748631	241.28	RYKSCVUFUMBYIQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024839
FC1(F)CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_102834293	241.28	HOFPZYANTWVJHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024840
Cc1cccc(c1)C(=O)c1ccc2n1CCC2O	SCHEMBL20121862,PC-id_134482520	241.285	PYUCVYGMPUZVJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024841
n1(Cc2ccccc2)c2CCCc2cc1C(=O)O	PC-id_10060244,MCULE-6732607373,EMOLS-id_36516638,ZINC22_34147153,SCHEMBL10592159	241.285	OTBPAULHOBIMNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024842
o1c(c2CN(Cc2c1)Cc1ccccc1)C(=O)C	PC-id_82372650	241.285	VXDFLLLTQDIFEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024843
O1CC(n2c1ccc2C(=O)c1ccccc1)(C)C	PC-id_10911680	241.285	ACDAYVIUDNXFOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024844
O=CC1CCn2c1ccc2C(=O)C1=CCCC=C1	PC-id_144237465	241.285	CMKILLFCLISJBM-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-024845
OC(=O)c1cc2c([nH]1)C(CC2)Cc1ccccc1	PC-id_59180108,SCHEMBL1003795	241.285	FZOWCRPRKKOGRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024846
OC(=O)c1cc2c([nH]1)CCC2Cc1ccccc1	SCHEMBL1003853,PC-id_44125119	241.285	VNSHBHNUYHDPDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024847
OC(=O)c1cc2c([nH]1)CC[C@@H]2Cc1ccccc1	SCHEMBL12777445,PC-id_57659925	241.285	VNSHBHNUYHDPDV-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024848
OC(=O)c1cc2c([nH]1)[C@@H](CC2)Cc1ccccc1	PC-id_57659883,SCHEMBL12777444	241.285	FZOWCRPRKKOGRN-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-024849
OC(=O)C1CCn2c1ccc2Cc1ccccc1	PC-id_18329507,SCHEMBL1259401	241.285	FWTFXJFNHWABJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024850
OC(=O)C1Cn2c(C1)ccc2Cc1ccccc1	PC-id_102129187	241.285	WUTHRQMHBKEBTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024851
OC(=O)c1[nH]c2c(c1Cc1ccccc1)CCC2	PC-id_140160288	241.285	ZVEXUMCIKYZHGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024852
OC(=O)c1[nH]c2c(c1)CC(C2)Cc1ccccc1	SCHEMBL1006392,PC-id_44125253	241.285	GYDZIHKQVUJKTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024853
OC(=O)c1[nH]c2c(c1)C[C@H](C2)Cc1ccccc1	PC-id_57659814,SCHEMBL12777442	241.285	GYDZIHKQVUJKTC-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024854
OC(=O)C(c1ccc2n1CCC2)c1ccccc1	SCHEMBL7492714,PC-id_22335620	241.285	OUGXMGBPUGKZHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024855
S1[C@H](CCCCC(=O)[O-])c2[nH]c(=O)[nH]c2C1	PC-id_7097323	241.287	BPARNYZCFXOEKY-SSDOTTSWSA-M	00000010100000000001000010000000000000000000000000000000	25-01-024856
c1(c2CCCc2[nH]n1)C(=O)N(C)c1ccccc1	MCULE-4495041410,PC-id_110388880,EMOLS-id_179744706	241.288	CHYPUVPIJKISBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024857
c1(cn2c(CCC2)n1)C(=O)N(C)c1ccccc1	MCULE-7623368893,EMOLS-id_321296856	241.288	YBJLMWRNPAYOKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024858
c1(C(=O)Nc2ccccc2)c2CCCc2n(C)n1	MCULE-1942877235,EMOLS-id_179745253,PC-id_110389063	241.288	OWHBWCSIHJEHFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024859
c1(C(=O)Nc2ccc(cc2)C)c2CCCc2[nH]n1	MCULE-2605482318,PC-id_110388879,EMOLS-id_179744703	241.288	PKCNJWVEVGTEBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024860
c1(C(=O)Nc2ccccc2C)c2CCCc2[nH]n1	MCULE-6139902481,PC-id_110388877,EMOLS-id_179744697	241.288	BLZRPSXEHCNURR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024861
c1(C(=O)Nc2ccccc2C)cn2c(CCC2)n1	MCULE-3526339045,EMOLS-id_321296088	241.288	MLPKEWYRPNXPAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024862
c1(C(=O)Nc2cccc(C)c2)c2CCCc2[nH]n1	PC-id_110388878,EMOLS-id_179744700,MCULE-5857407770	241.288	HFNCCFQOYZBBEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024863
c1(C(=O)Nc2cccc(C)c2)cn2c(CCC2)n1	EMOLS-id_321296344,MCULE-9966023975	241.288	PETRLMKZMHGMJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024864
c1(C(=O)Nc2ccc(C)cc2)cn2c(CCC2)n1	MCULE-3365880721,EMOLS-id_321296600	241.288	DPBPZFBBEMIURQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024865
c1(C(=O)NCc2ccccc2)c2CCCc2[nH]n1	MCULE-2626650475,PC-id_110388820,EMOLS-id_179744535	241.288	WLWSLWYAVKZAEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024866
c1(C(=O)NCc2ccccc2)cn2c(CCC2)n1	MCULE-2075549178,EMOLS-id_321294804	241.288	QRIGZNNAAPYFOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024867
Cc1ccc(cc1)C(=O)c1c(N)nc2CCCn12	EMOLS-id_48350594,MCULE-2404087178,ZINC22_95829273,SCHEMBL6121902,PC-id_69673275	241.288	BCMOXNZGPJEKAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024868
Cc1c(n2C(C(=O)Nc2n1)Cc1ccccc1)C	PC-id_135778385	241.288	HSGZJZMRSKKFAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024869
Cc1c(n2[C@H](C(=O)Nc2n1)Cc1ccccc1)C	PC-id_135470343	241.288	HSGZJZMRSKKFAQ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024870
CCc1n[nH]c2c1CN(C2)C(=O)c1ccccc1	SCHEMBL19413327	241.288	HTYGDFFKFATKKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024871
C[C@@H](C(=O)N1Cc2c(C1)cn[nH]2)c1ccccc1	PC-id_141105468	241.288	ZWAFSMWPGYLVTC-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024872
COC1C=Nc2c1n(Cc1ccccc1)cc2N	PC-id_140104839	241.288	IKPVBUSBFJKQHQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-024873
NC(=O)c1n(Cc2ccccc2)nc2c1CCC2	SCHEMBL5082546,PC-id_58713647	241.288	KFHZOBHZSHIOBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024874
NC(=O)c1nn(c2c1CCC2)Cc1ccccc1	PC-id_58713629,SCHEMBL5079503	241.288	VQZBZGSSNLQSCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024875
O=C1N(c2n(C1)c(c(n2)C)C)Cc1ccccc1	PC-id_10354324	241.288	DVHUQUAFULNPBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024876
O=Cc1n(nc2CN(Cc12)Cc1ccccc1)C	PC-id_83870766	241.288	FBDUESKMYLYUHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024877
O=Cc1nn(c2CN(Cc12)Cc1ccccc1)C	PC-id_83870801	241.288	DLAUKIXJRASRIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024878
O=C(Nc1n(nc2c1CCC2)C)c1ccccc1	PC-id_45536258	241.288	NBODMGQHLLFZHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024879
O=C(Nc1n[nH]c2CCCc12)Cc1ccccc1	PC-id_9921124	241.288	CNHFWMQTSSFBND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024880
Cc1cc(NN=C2CCn3c2ccc3)nc(n1)C	PC-id_71893902,MCULE-4773062896,EMOLS-id_44533019	241.292	KQUVASBKJJPIRB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-024881
Cc1cc(N/N=C/CCn3cccc23)nc(C)n1	PC-id_75363488,ZINC22_84114388	241.292	KQUVASBKJJPIRB-WJDWOHSUSA-N	00000010100000100001000010000000000000000000000000000000	25-01-024882
NC(=N)c1ccc(cc1)CN1CCn2c1ccn2	SCHEMBL18939001	241.292	UHAYUZUVCIXTHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024883
c12CN(Cc1sc(OC)c2C(=O)OCC)C	MCULE-6597432754,EMOLS-id_331063847	241.307	HAQZVOJQXAHYQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024884
CCC(c1nc2c(s1)CCC2C(=O)O)OC	PC-id_116705349	241.307	CJEOQJATTVKHIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024885
CCCOCc1nc2c(s1)CCC2C(=O)O	PC-id_104287369	241.307	FVPDXNVNHJRFQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024886
CCOC(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104287295	241.307	YZTNDJZBKDZOBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024887
CCOCCc1nc2c(s1)CCC2C(=O)O	PC-id_106814898	241.307	BHWCATAZIVIBJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024888
CCS(=O)(=O)C1(C)CC(=O)c2c1ccn2C	PC-id_122389991	241.307	DDKNVTMTLFXUKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024889
CN(C(=O)c1c(c2c(s1)CCC2)OC)OC	PC-id_91956584	241.307	QPCZPHDZOCTAJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024890
COc1c(sc2c1CCC2)C(=O)NCCO	PC-id_91956533	241.307	SXUOVEGQSNHTOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024891
COC(c1nc2c(s1)CCC2C(=O)O)(C)C	EMOLS-id_261102151,PC-id_104287236	241.307	VOVOHJVFFOVLIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024892
COCc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287200	241.307	ISBIDWJIKONVJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024893
COC(Cc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287241	241.307	MBLPHUJWUQYIRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024894
COCC(c1nc2c(s1)CCC2C(=O)O)C	PC-id_116502256	241.307	ZENIBBIQAKKFDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024895
COCCCc1nc2c(s1)CCC2C(=O)O	PC-id_104287362	241.307	CVNXGXBBUYXEPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024896
OCC(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_66175824,EMOLS-id_41754641	241.307	KLPJHMPEDDLZCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024897
OC[C@@H](CNC(=O)c1sc2c(c1)CCC2)O	MCULE-7170932273,EMOLS-id_320284059	241.307	KLPJHMPEDDLZCB-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024898
OCC(NC(=O)c1sc2c(c1)CCC2)CO	EMOLS-id_41168705,PC-id_65313039	241.307	DYMYGTOFWUQNAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024899
OCCOC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314969304,PC-id_79348631	241.307	ZCBBUCJJETYLAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024900
OC(=O)c1c(N)sc2c1C(C)(C)OC2(C)C	SCHEMBL17684993,PC-id_121281717	241.307	YGEJYKKOKRSBJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024901
OC(=O)Cc1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79916580,EMOLS-id_315416255	241.307	KAUBEEJMMKINBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024902
OC(=O)CCn1c(=O)sc2c1C(C)(C)CC2	PC-id_79856427,EMOLS-id_42569291	241.307	PQXFJZGIEOTIRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024903
s1c2CCCc2cc1C(=O)NOCCOC	PC-id_79676316	241.307	VLNVAUSHCIDVOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024904
Clc1sc2c(C(NC3CCCC3)CC2)c1	PC-id_81252369	241.78	ACHUIVJFCHMGPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025023
c12SCCn1c(c(CC(=O)OCC)n2)CN	PC-id_82367573,MCULE-3240896114	241.31	SIDBIQBRCOFOTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024905
C1COCCC1Nc1n[nH]c2c1S(=O)CC2	SCHEMBL15088392,PC-id_89672654	241.31	VUVHIIHSARJWKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024906
c1(NC(=O)CCOC)n(C)nc2CSCc12	EMOLS-id_334567601,MCULE-2054688945	241.31	VRHPYVBJVQLMPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024907
Cc1c2CNCc2nn1S(=O)(=O)C1(CC1)C	SCHEMBL15159355,PC-id_89723564	241.31	YOXZHTBIDQFWFU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024908
CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)C	SCHEMBL15161189,PC-id_89729884	241.31	SGGVPPMDXKNQEF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024909
CC1CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100372374	241.31	VMODVTQTINUNJZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-024910
Cc1nc2n(c1COC(=O)NCC)CCS2	LI_187417,CoCoCo_5604874,NSC332702,PC-id_332999	241.31	CCXSDLMXMVTPBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024911
C=CCCCS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316609340	241.31	NRSMGAXXXFPENV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024912
CCCCNc1nc2n(c1C(=O)O)CCS2	PC-id_67820522,SCHEMBL9295898	241.31	FMKBYKCXCCSRIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024913
CC(C)(C)OC(=O)N1Cc2nc(N)sc2C1	ZINC22_62716721,SCHEMBL741852,MCULE-6248704538,EMOLS-id_50265538,PC-id_18442772	241.31	QRJZLNBRXQAKCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024914
C=CCCS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316608340	241.31	ICMMURPLTABJQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024915
C[C@@H]1C[C@@]1(C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319030908	241.31	JXBJCEHBTWFPSM-GMSGAONNSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024916
C[C@@H]1C[C@@]1(C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_318955755	241.31	TWZUYGUXGAZGNE-PSASIEDQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024917
C[C@H](C1N(Cc2c1nc(s2)N)C(=O)O)CC	PC-id_117680276,SCHEMBL16213630	241.31	HJEVIWHNDIQILT-NTFOPCPOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024918
C[C@H]([C@@H]1N(Cc2c1nc(s2)N)C(=O)O)CC	PC-id_117680275,SCHEMBL16213629	241.31	HJEVIWHNDIQILT-XNCJUZBTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024919
CCOC(=O)S1C(=Nc2n1cnc2)CCC	SCHEMBL20745169	241.31	LYPKHMQPXADNGG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-024920
COCC(C(=O)Nc1sc2c(n1)CCC2)N	PC-id_81088208,EMOLS-id_314389115	241.31	URAGSTJDYCPRRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024921
CSCCC(C(=O)N1CCn2c1ncc2)O	EMOLS-id_316583119	241.31	YJUQIFNNNQILHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024922
NC1(CC1)CCc1cn2c(n1)S(=O)(=O)CC2	PC-id_105503029	241.31	GHODERZOQSKBKG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024923
NC1(CC1)CCc1nn2c(c1)S(=O)(=O)CC2	PC-id_105503028	241.31	VEHNBEAKMPYWJK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024924
Nc1n(nc2c1CSC2)C(C(=O)O)C(C)C	PC-id_102354195	241.31	SLZOUVAMVWWZFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024925
NCC(C(=O)Nc1sc2c(n1)CCC2)OC	PC-id_106112631	241.31	HPJGQYVCIYIATR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024926
NCCOCC(=O)Nc1sc2c(n1)CCC2	PC-id_79479851,EMOLS-id_42302245	241.31	WQWWUYBCAYFKAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024927
OC(=O)N1Cc2c(C1(C)C(C)C)nc(s2)N	PC-id_117680004,SCHEMBL16213265	241.31	MAUBJWGCGSQCSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024928
OC(=O)N1Cc2c([C@]1(C)C(C)C)nc(s2)N	SCHEMBL16213264,PC-id_117680003	241.31	MAUBJWGCGSQCSW-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-024929
O=[S@@]1CCc2c1c(n[nH]2)NC1CCOCC1	SCHEMBL15088395	241.31	VUVHIIHSARJWKO-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024930
O=[S@]1CCc2c1c(n[nH]2)NC1CCOCC1	SCHEMBL15088431	241.31	VUVHIIHSARJWKO-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-024931
O=S(=O)(C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318854031	241.31	YHHLUKYCAXQBNW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024932
O=S(=O)(c1cnc2n1CCC2)N1CCCC1	EMOLS-id_100194675	241.31	ODUKXMKTKTVTLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024933
O=S(=O)(c1cnc2n1CCC2)NC1CCC1	EMOLS-id_101778424	241.31	WZNOWDLJZUPJSI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-024934
O=S(=O)(c1cnc2n1CCC2)NCC1CC1	EMOLS-id_100201143	241.31	GHOWYTDVBDOFPG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024935
O=S(=O)(n1cc2c(n1)CCN2)C1CCCC1	PC-id_121333755,SCHEMBL17747853	241.31	YQJKEWIOOCCZQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024936
O=S(=O)(n1nc2c(c1)CNC2)C1CCCC1	PC-id_59323607,SCHEMBL824011	241.31	HAMNGEUEVQCKIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024937
O=S(=O)(n1ncc2c1CCN2)C1CCCC1	SCHEMBL17747854,PC-id_121333756	241.31	PJTVQPURJDWTSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024938
O=S(=O)(n1ncc2c1CNC2)C1CCCC1	PC-id_59323609,SCHEMBL823982	241.31	IBFRZIPSHPZMSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024939
s1c2CCCc2nc1NC(=O)NCCOC	PC-id_45503685	241.31	YHFIAPMVLUVBDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024940
S1Cc2c(noc2NC(=O)NC(C)(C)C)C1	PC-id_45497361	241.31	HWFHZFZBKNEMJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024941
S1CCn2c(c(nc12)N)C(=O)OC(C)(C)C	PC-id_53782086	241.31	DVZURQYKWKGRIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024942
S1(=O)Cc2c(nn(c2NC(=O)C)C(C)C)C1	PC-id_59050143	241.31	KEZOVVYPLORJCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024943
S1(=O)(=O)c2n(cc(n2)C(C2CC2)CN)CC1	PC-id_82664201	241.31	WFLXVDALCCRZGL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024944
S1(=O)(=O)c2n(nc(C(C3CC3)CN)c2)CC1	PC-id_82664202	241.31	OSGGHJWKLYDVOO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024945
S1(=O)(=O)N=C(C(C)(C)C)c2n(nc(c12)C)C	PC-id_21048567	241.31	ZNLKAEIQEGYBDF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-024946
S(=O)(=O)(C1CCc2c1[nH]nc2NC1CC1)C	PC-id_65046509	241.31	QFRMPHMPKJWKPD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-024947
c1(Nc2ccc(cc2)C#N)sc2c(CCC2)n1	PC-id_54963649,MCULE-6999045808	241.312	ZRBNKQIERCDRHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024948
N#Cc1cccc(c1)Nc1sc2c(n1)CCC2	PC-id_113740121	241.312	HQUCPFSQWUWKCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024949
s1c2CCCc2nc1Nc1c(cccc1)C#N	PC-id_54963650	241.312	HTMCYRAVXCNAHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024950
o1c2c(CCC2)c(c1CC)C(N)c1ccccc1	PC-id_83610216	241.328	AORGEOIVGVMAGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024951
o1c2c(CCC2)c(C(N)c2ccc(cc2)C)c1C	PC-id_83610137	241.328	HSNCDQNKEDIVCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024952
c12cc(sc1SC(CN(C)C)C2=O)C=O	PC-id_82387280,MCULE-1169469116	241.33	ZKPVXCRMPNQZDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024953
CCOC(=O)C1=Nc2c(C1)sc(c2)SC	PC-id_70160936,SCHEMBL7680356	241.33	FWSRLUXQVYBAGW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-024954
CCOC(=O)CSc1c[n+]2c(n1C)CCC2	PC-id_787432,ZINC22_285518,CoCoCo_596784,MCULE-6472433689,CK1916524	241.33	JQDYOIJLZRMSKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024955
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)C	MCULE-1912112746,EMOLS-id_330964210	241.331	NVFYWCXQEOXIGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024956
c12CN(Cc1nn(CCC)c2)Cc1ccccc1	MCULE-5615218907,EMOLS-id_324341346	241.331	OXLITLGIUBBOHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024957
CC1CCc2c1c(CN)nn2Cc1ccccc1	EMOLS-id_331014138,MCULE-9304033684	241.331	APOMYUYNEKJYPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024958
CC1CCc2c1c(N)nn2Cc1ccccc1C	EMOLS-id_330964474,MCULE-7381021731	241.331	KEIASIBAKLBYRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024959
CC1CCc2c1c(N)nn2Cc1cccc(C)c1	MCULE-2441260973,EMOLS-id_330964219	241.331	VXURQYSEPRXSQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024960
CC1CCc2nn(Cc3ccccc3C)c(N)c12	EMOLS-id_331013543,MCULE-3495988758	241.331	KMLDFOCJGGYZPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024961
CC1CCc2nn(Cc3ccccc3)c(CN)c12	MCULE-9765119671,EMOLS-id_330995893	241.331	OXXHCUMQJMANJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024962
CC1CCc2nn(Cc3ccc(C)cc3)c(N)c12	EMOLS-id_331009199,MCULE-3902069869	241.331	AXSYLOVBIKXYRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024963
CC1CCc2nn(Cc3cccc(C)c3)c(N)c12	EMOLS-id_331013288,MCULE-5646266002	241.331	ULRRFLLCDGPEHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024964
CC1C(=CC=CCC(C)C#N)Cc2ncc(n12)C	PC-id_91173554	241.331	XBBFRAZJOOIBDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024965
CCC1Cc2nnc(CCc3ccccc3)n2C1	PC-id_139599339,MCULE-1426921838,EMOLS-id_323886490	241.331	DOVVXMORJGUUOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024966
CCC1CCc2c1nc([nH]2)C(c1ccccc1)N	PC-id_102970612	241.331	BDUWBGGCYUUOLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024967
CCC1CCc2c1nc([nH]2)[C@H](c1ccccc1)N	PC-id_102970621	241.331	BDUWBGGCYUUOLK-HQVZTVAUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024968
CCC1CCc2c1nc([nH]2)[C@@H](c1ccccc1)N	PC-id_102970635	241.331	BDUWBGGCYUUOLK-JLOHTSLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024969
CC(C)(c1n[nH]c2CCCc12)c1cccc(N)c1	EMOLS-id_337934617	241.331	HDNBUCSJTWLYPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024970
CC(C)(c1n[nH]c2CCCc12)c1ccc(N)cc1	EMOLS-id_337932826	241.331	FSLLTVBPPGGVTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024971
CC[C@@H]1Cc2nnc(CCc3ccccc3)n2C1	ZINC22_1800413235	241.331	DOVVXMORJGUUOJ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024972
CC[C@H]1Cc2nnc(CCc3ccccc3)n2C1	ZINC22_1800413242	241.331	DOVVXMORJGUUOJ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024973
n12C(CC(NCc3cccnc3)c1ccc2)(C)C	PC-id_4141185	241.331	MLRMECWNCPSRNI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-024974
N1(Cc2c(C1)cn(c2CN)C)Cc1ccccc1	PC-id_82372996	241.331	KRDQNHGKYRYBBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024976
n1(nc2c(CCC2)c1N)CCCc1ccccc1	EMOLS-id_260764345,PC-id_65348647	241.331	KDDUITOKQZGRDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024977
n1(nc2c(C(CC2)(C)C)c1N)Cc1ccccc1	PC-id_79865533,EMOLS-id_96800972	241.331	YFGXVOXJCLGNJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024978
N[C@@H](c1nc2c([nH]1)CCC2C)Cc1ccccc1	PC-id_113759037	241.331	HVKQOYCOIQXJON-TVKKRMFBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024979
N[C@H](c1nc2c([nH]1)CCC2C)Cc1ccccc1	PC-id_114010369	241.331	HVKQOYCOIQXJON-KFJBMODSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-024980
c1(NC(=O)CC(=S)N)sc2c(CCC2)n1	EMOLS-id_38357853,MCULE-2198704356,PC-id_61511929	241.333	DKGDCJAGPZQOCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024981
c1(NC(=S)N)sc2c(CCC2)c1C(=O)N	MCULE-1620729787,EMOLS-id_207813842	241.333	OCBHDVAHIVAEBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024982
s1c2CCCc2cc1C(=O)NNC(=S)N	PC-id_65214463	241.333	TZFAURXWMQIJEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024983
Cc1nc2n(c1/C=NNC(=S)N)CCS2	CoCoCo_5595424	241.336	PJKMTHPRTGZWNG-WMZJFQQLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024984
Cc1nc2n(c1/C=N/NC(=S)N)CCS2	LI_185191,PC-id_9556449,CoCoCo_5595423,NSC315229	241.336	PJKMTHPRTGZWNG-ONNFQVAWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024985
S1CCn2c1nc(c2C=NNC(=S)N)C	PC-id_4266110	241.336	PJKMTHPRTGZWNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-024986
CCOC(c1c(N)sc2c1C(C)(C)CC2)O	SCHEMBL21261062,PC-id_139404190	241.35	WQXWXOAQPICPLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024987
COCC(CNCc1sc2c(c1)CCC2)O	EMOLS-id_40114039,PC-id_63929245	241.35	VVOCOCYUZXIOHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024988
COC(CNCc1sc2c(c1)CCC2)OC	EMOLS-id_39965585,PC-id_63696361	241.35	XXGVYPFZTKNOSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024989
OCC(NC(c1sc2c(c1)CCC2)C)CO	PC-id_115724166	241.35	DNWUHKMUQXHNKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024990
s1c(CNCCOCCO)cc2CCCc12	EMOLS-id_38138635,PC-id_61207237,MCULE-5614744198	241.35	DYRIXRNKCPNNMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024991
CC1(C)C[C@H](c2n1ccc2)[NH2+]Cc1ccccc1	GD-id_ZINC01496213	241.351	NSXBGMFSQWNAFC-CQSZACIVSA-O	00000010100000110000000010000000000000000000000000000000	25-01-024992
CC1(C)C[C@@H](c2n1ccc2)[NH2+]Cc1ccccc1	GD-id_ZINC01496214	241.351	NSXBGMFSQWNAFC-AWEZNQCLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-024993
CCC(NC(=O)c1sc2c(c1)CSC2)C	ChEMBL-DNDi_CHEMBLC574-0031	241.373	SXZFBYLOXXNCGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024994
CCOC(=C)c1c(N)sc2c1C(C)SC2	SCHEMBL8189566,PC-id_70297986	241.373	IRFDQBGNJRWAML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024995
C[C@@H]1[C@@H](C[SiH2]c2ccccc2)Cn2c1ccc2	PC-id_102006513	241.404	FYXTWIRFFRHVKC-CHWSQXEVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-024996
C[C@H]1[C@H](C[SiH2]c2ccccc2)Cn2c1ccc2	PC-id_102006514	241.404	FYXTWIRFFRHVKC-STQMWFEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-024997
CCSCCNCc1sc2c(c1)CCC2	PC-id_116094733	241.416	CFHOPTMYYOWPEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024998
Clc1sc2c(C(NC(C3CC3)C)CC2)c1	PC-id_81252992	241.78	ZKZWRHXVFDZSKD-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025024
CSCCCNCc1sc2c(c1)CCC2	EMOLS-id_38138559,PC-id_61207771	241.416	LAVJAYKTAQLDRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-024999
CSCCNC(c1sc2c(c1)CCC2)C	PC-id_115706198	241.416	ITFJVDQARPFAKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025000
ClC1c2c(C(=O)C1)c(Cl)sc2Cl	PC-id_396949	241.522	HQIUNWVVIXWUNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025001
O=C1C[C@@H](c2c1c(Cl)sc2Cl)Cl	CoCoCo_5770733	241.522	HQIUNWVVIXWUNN-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025002
O=C1C[C@H](c2c1c(Cl)sc2Cl)Cl	NSC704130,CoCoCo_5770732	241.522	HQIUNWVVIXWUNN-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025003
CCOC(=O)c1c2CCC(=O)c2c(Cl)n1C	EMOLS-id_323999904	241.671	FIYAONAOVVZNPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025004
Clc1n(cc2C(CCc12)CC(=O)O)C(C)C	PC-id_83912657	241.714	ILDWGTWOXLSCRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025005
ClC(=C)CNC(=O)c1sc2c(c1)CCC2	PC-id_115636897	241.737	FXPUTALCXBXSCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025006
O=C(C(=C)Cl)NCc1sc2c(c1)CCC2	EMOLS-id_266564805	241.737	APPXBDOJSYOCIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025007
Clc1scc2c1CN(C2)CC1=NCCN1	SCHEMBL9408077,PC-id_18947033	241.74	XNCIFOYCLJHJBM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-025008
c12C(C)CCc1n(nc2Cl)CCCN(C)C	EMOLS-id_330975486,MCULE-6758917955	241.76	BHNVEKXSPGOUTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025009
c12C(C)CCc1nn(CCCN(C)C)c2Cl	MCULE-8640084720,EMOLS-id_330961840	241.76	XRNZIBAOMREYPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025010
CC1CCc2c1c(CCl)nn2CCN(C)C	MCULE-2992937345,EMOLS-id_331029254	241.76	USIGDSRUKAZMDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025011
CC1CCc2nn(CCN(C)C)c(CCl)c12	MCULE-2533410672,EMOLS-id_331010486	241.76	OQWWNGSEJWJEAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025012
CC1(CC1)CNC1CCc2c1cc(s2)Cl	PC-id_103902927	241.78	OSVSYWIWBLAZAZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025013
CC1CC1CNC1CCc2c1cc(s2)Cl	PC-id_115888819	241.78	GAZAWEVJYYKBPH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025014
CC1CC(C1)NC1CCc2c1cc(s2)Cl	PC-id_115892483	241.78	XYFJKJWFFASNCD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-025015
CCC1CC1NC1CCc2c1cc(s2)Cl	PC-id_102676275	241.78	CUNYBCCGMKUHQZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025016
C/C=C/CCNC1CCc2c1cc(s2)Cl	PC-id_115890218	241.78	JRJCHMWVXOKSII-NSCUHMNNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025017
CC(=CCNC1CCc2c1cc(s2)Cl)C	PC-id_103522752	241.78	KTZDKASXCHKDBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025018
CC(NC1CCc2c1cc(s2)Cl)CC=C	PC-id_115890471	241.78	QYTGUNXWAVQQFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025019
Clc1c(CCC2(N)CC2)sc2c1CCC2	PC-id_105503316	241.78	KUUSMEAYPHRUJL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025020
Clc1c(sc2c1CCC2)CC1NCCC1	PC-id_84801419	241.78	NWUZIKKQWFDMDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025021
Clc1sc2c(C(NC3C(C3)(C)C)CC2)c1	PC-id_81251525	241.78	NQLOPRBWLSPKPU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025022
Clc1sc2c(C(NCC3CCC3)CC2)c1	PC-id_81251946	241.78	GXWHUECSZCJEKD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-025025
Clc1sc2c(C(NCCC3CC3)CC2)c1	PC-id_81252816	241.78	NIZNGTNPARMQTF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025026
ClC/C=C/CNCc1sc2c(CCC2)c1	PC-id_81430685	241.78	MPAUQSJRFQVWKY-OWOJBTEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025027
ClC=C(CNCc1sc2c(c1)CCC2)C	PC-id_106437556	241.78	ZRKQNNJQXIZDMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025028
ClC(=C)CNC(c1sc2c(c1)CCC2)C	PC-id_115891006	241.78	WBMZFYLMPHXFCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025029
C1C2=C(SC(=C2C(=O)C1(F)F)Cl)Cl	PC-id_147404964	241.917	DPMIWYIOECJTPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025030
CC1C(=C(C2=C1SC=C2Br)C)C	PC-id_148489758	241.976	MIMVJKRJKKNFBM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025031
CN(CC1CN2C=C(N=C2O1)[N+](=O)[O-])C(=O)O	PC-id_153915353	242.065	VMPMPTWJUJYPMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025032
CC(C)N1C(=O)C2=C(N1)CSC2C(=O)OC	PC-id_147763555	242.073	HENXUKJYTUNHHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025033
CCC(=O)NC1(OC2=NN=NN2O1)NC(=O)C	PC-id_151370930	242.076	OQKTUENCGOEUGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025034
C1C2=C(CN1CC3=CC=CC=C3)NN=C2C(=O)[O-]	PC-id_153795580	242.094	HBFGMHYTWYYGHC-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-025035
CC1=C2C(=CS1)OC(O2)COCCC(C)C	PC-id_163707789	242.098	KGOQKPKCALDPFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025036
C1CC2=CC(=NN2C1)CC(=O)OC3=CC=CC=C3	PC-id_148362621	242.106	LKTAPXXNABPHBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025037
Brc1cn2c(c1)C=C(C2C)[C@@H](O)C	SCHEMBL21251365	242.112	AMCAIFHYGIVCJC-MLWJPKLSSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025038
Brc1cn2c(c1)C=C(C2C)C(O)C	PC-id_139395114	242.112	AMCAIFHYGIVCJC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025039
Brc1n(C(C)C)cc2c1CCC2=O	PC-id_83912727	242.112	OAKJLWHFDRQFLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025040
Brc1oc2c(C(NC3CC3)CC2)c1	PC-id_83912726	242.112	WKJWQTLEXJCDRY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025041
Brc1oc2C(NC3CC3)CCc2c1	PC-id_83912725	242.112	MUHIIAKXCLWKAL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025042
Brc1n[nH]c2c1C(NC1CC1)CC2	PC-id_83912729	242.116	JCDIJOKLAXTBHO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025043
BrC(=C)CNC1CCn2c1ncc2	EMOLS-id_266566115	242.116	IPMAAVUQOIXEBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025044
CN1C(=C2CCCC2=N1)C=CC3=NC=CC(=O)N3	EMOLS-id_317735086,PC-id_154780232,MCULE-4949747953	242.117	XAYVNZOAYUMOCL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025045
CN(C1=CC=CC=C1)C(=O)N2C=C3CNCC3=N2	PC-id_161676033	242.117	XCXMRQOXHTTXSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025046
Brc1c2CCCc2sc1CC#N	PC-id_84801537	242.136	LLDMZULQTOYOAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025047
CC1(C2=C(C(N1)CC3=CC=CC=C3)C(=NN2)N)C	PC-id_154020625	242.153	DWGQPKFIVVTIRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025048
Brc1c2c([nH]c1C(C)(C)C)CCC2	PC-id_84801540	242.155	KHFLYQWJXZZUFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025049
OC(=O)c1sc2c(c1C(=O)O)C(=O)OC2=O	SCHEMBL3806490,PC-id_54516989	242.162	YNBYSPKBZWXNRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025050
CCCC1Oc2c(O1)c(oc2C(=O)O)C(=O)O	PC-id_141365879	242.182	WQSZFCSPWWHMSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025051
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COC(=O)N	PC-id_89437286,SCHEMBL14775099	242.189	LDNKLJITKLTDDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025052
O1C(Cn2c1nc([N+](=O)[O-])c2)(CNC(=O)O)C	SCHEMBL5544194,PC-id_23081142	242.189	TWWFDHAYTAMYQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025053
F[C@@H]1CN(C[C@@H]1F)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319609211	242.225	HWEJJCYWOLBHCS-AVSFMBPQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025054
C1c2c(cco2)N(C1=O)C(=O)Nc1ccccc1	PC-id_134862615	242.23	GWMZCOITKSQAJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025055
o1nc(c2c1CN(C2=O)C(=O)c1ccccc1)C	PC-id_10681614	242.23	QCNPKJJHHRAYMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025056
O=C(N1Cc2c(C1=O)cco2)Nc1ccccc1	PC-id_102052383	242.23	HAAPESYAKKFVQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025057
c1(N(=O)=O)nn2c(OC(COCCCC)C2)n1	PC-id_2842941,MCULE-6641370943,EMOLS-id_177520153	242.232	IHMRMRRBQZQJCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025058
CCCCOC[C@H]1Cn2nc([N+](=O)[O-])nc2O1	PC-id_2223707,ZINC22_2871037	242.232	IHMRMRRBQZQJCX-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025059
CCCCOC[C@@H]1Cn2nc([N+](=O)[O-])nc2O1	PC-id_2223708,ZINC22_2871038	242.232	IHMRMRRBQZQJCX-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025060
C1c2c(CN1C(=O)c1ccncc1)[nH]nc2C=O	PC-id_137355556,SCHEMBL20580034	242.233	KRKKXIRUDBQPAM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025061
C1c2c(CN1C(=O)c1cnccc1)[nH]nc2C=O	PC-id_137355553,SCHEMBL20580031	242.233	NFAPKCSWJXGGLZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025062
O=Cc1nn(c2c1CNC2)C(=O)c1cccnc1	SCHEMBL18317665	242.233	ZMYCRBGKOIUKKX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025063
O=Cc1n[nH]c2c1CN(C2)C(=O)c1ccccn1	SCHEMBL18317664	242.233	PSTFSSFWEBWMLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025064
N#Cc1cn[nH]c1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319839973,MCULE-3496435203	242.237	BAFLSHHCJRYGSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025065
Oc1nc2n(N=C(N)C2=NNc2ccccc2)c1	PC-id_12626444	242.237	ZGCJGQPVTMFYBG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-025066
O=C(Nc1n2N=C(N)Cc2nn1)c1ccccc1	PC-id_57328794	242.237	SOYYIFXSFKVQRA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-025067
N#Cc1c(NC(=O)C(F)F)sc2c1CCC2	PC-id_103515371	242.245	AWIZHOPNXYLPPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025068
CCOC(=O)C(=O)c1scc2c1OC(O2)C	PC-id_141033585	242.248	AEZOBTXGPBKOID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025069
CCC1CC(c2n1nc(n2)C(=O)N(OC)C)F	PC-id_138504532,SCHEMBL20854948	242.25	YVKKJHLJOCYXHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025070
CC[C@@H]1C[C@@H](c2n1nc(n2)C(=O)N(OC)C)F	SCHEMBL20645978,PC-id_137412564	242.25	YVKKJHLJOCYXHC-RQJHMYQMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025071
CN(C)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960098	242.25	MNLGFNKQCRRUKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025072
c12c(CCC1C(=O)O)sc(NC(=O)OC)n2	PC-id_49657935,EMOLS-id_42771825,MCULE-8730636687	242.252	HZWABAZZCNOEQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025073
c1(N(=O)=O)c2CN(Cc2sc1C(=O)OC)C	EMOLS-id_330871112,MCULE-5503437879	242.252	UVQLCZYUWHAKKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025074
COC(=O)Nc1nc2[C@@H](CCc2s1)C(=O)O	PC-id_52194724,EMOLS-id_337392721,ZINC22_43830609	242.252	HZWABAZZCNOEQR-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025075
COC(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)O	ZINC22_43830606,PC-id_52194722	242.252	HZWABAZZCNOEQR-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025076
c1(nnc2SCCn12)NC(=O)C(=O)OCC	CoCoCo_2590469,ChEMBL-DNDi_CHEMBLF2079-0024,PC-id_16031337,ZINC22_8600518,CHEMBL1606676,EMOLS-id_16349355,MCULE-1973122803	242.255	ARJDQKPSOCSQRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025077
CC1CCc2c1c(CO)nn2CC1CC1(F)F	MCULE-3496656677,EMOLS-id_331009784	242.265	VUIFHFSPFLUAAZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025078
CC1CCc2nn(CC3CC3(F)F)c(CO)c12	MCULE-6228931757,EMOLS-id_330992563	242.265	LATABIRSHCYXBN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025079
c1(C(=O)Nc2ccc(cc2)C)c2CCCc2on1	ZINC22_426309,MCULE-6443636271,ChEMBL-DNDi_CHEMBLC226-3280,EMOLS-id_11061201,TIMTEC157741,PC-id_3361255	242.273	FVPDISXWSJZWIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025080
c1(NC(=O)Cc2ccccc2)onc2CCCc12	CoCoCo_5123851,EMOLS-id_12336569,PC-id_16942355,MCULE-9378915297,ZINC22_8736910	242.273	OQLSLINGSKOECE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025081
COc1ccc(cc1)Cn1ncc2c1CCC2=O	SCHEMBL6837344,PC-id_69912361	242.273	AFMSRSWDMHJEPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025082
n1n2c(CCC2C(=O)OCc2ccccc2)cc1	SCHEMBL1028430,PC-id_57907463,MCULE-2272767329	242.273	NXDMHZNTTCLSAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025083
o1nc2CCCc2c1N=Cc1ccc(OC)cc1	PC-id_58664490	242.273	YYJWQPKKLLMRGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025084
o1nc2CCCc2c1NC(=O)c1ccc(cc1)C	PC-id_16942269	242.273	GRGGPQYOVUFWFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025085
o1nc2CCCc2c1NC(=O)c1cc(ccc1)C	PC-id_16942270	242.273	ZKWROMAROZCRBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025086
O=C1c2n(CC1)c(CNc1ccc(O)cc1)cc2	TIMTEC52133,TIMTEC52132,PC-id_9497454	242.273	ZZGXWPKQYGVNQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025087
OC(=O)C1CCc2[nH]c(nc12)Cc1ccccc1	PC-id_84010897	242.273	CNCWFZVJXDBFOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025088
OC(=O)c1nc2c(n1Cc1ccccc1)CCC2	PC-id_97777192	242.273	BUMXEEGEDGPTHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025089
OC(=O)c1n(Cc2ccccc2)nc2c1CCC2	PC-id_23135145,SCHEMBL5441403	242.273	DQYFMRLJVTZOSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025090
OC(=O)c1nn(c2CCCc12)Cc1ccccc1	PC-id_20031066	242.273	JFENDDSFOLGRPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025091
O=c1n2n(CCC2)c(N(CCO)CCO)c1N	PC-id_23104191,SCHEMBL945207	242.275	RFFZEKGVRNZUEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025092
C1c2c(CN1C(=O)NCc1ccccc1)[nH]nc2	MCULE-7587211993,PC-id_91159678	242.276	MFNSYDBPVIMCDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025093
c1(C(=O)Nc2cccc(C)n2)c2CCCc2[nH]n1	EMOLS-id_323252926,MCULE-8031784030	242.276	CBJNMBYZWSWDBS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025094
c1(C(=O)Nc2cc(C)ccn2)c2CCCc2[nH]n1	MCULE-9910057077,EMOLS-id_323252414	242.276	SGGGJSOELKURLM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025095
c1(C(=O)Nc2ccccn2)c2CCCc2n(C)n1	PC-id_110678752,EMOLS-id_180404764,MCULE-3690128872	242.276	CZKYCZYZKFLOCK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025096
c1(C(=O)Nc2c(cccn2)C)c2CCCc2[nH]n1	MCULE-4033596049,EMOLS-id_323259314	242.276	ALYJHKKNXUWUHH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025097
c1(C(=O)Nc2ccnc(C)c2)c2CCCc2[nH]n1	PC-id_110678734,MCULE-8897699985,EMOLS-id_180404710	242.276	BUKSRQVXMULGAP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025098
c1(C(=O)NCc2ccccn2)c2CCCc2[nH]n1	EMOLS-id_179744577,MCULE-5686490415,PC-id_110388834	242.276	VKLBQQFYOBDRQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025099
c1(C(=O)NCc2ccccn2)cn2c(CCC2)n1	EMOLS-id_321298388,MCULE-1856165375	242.276	ZSGOTSUNCZJCHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025100
c1(C(=O)NCc2cccnc2)c2CCCc2[nH]n1	MCULE-4948866059,PC-id_110388835,EMOLS-id_179744580	242.276	KBDZDGMSGIHLJB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025101
c1(C(=O)NCc2cccnc2)cn2c(CCC2)n1	EMOLS-id_321294549,MCULE-4424157504	242.276	CTMGHHYSOYDRCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025102
c1(C(=O)NCc2ccncc2)c2CCCc2[nH]n1	EMOLS-id_179744583,MCULE-3991862518,PC-id_110388836	242.276	JCGPCEBJVBOREW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025103
c1(C(=O)NCc2ccncc2)cn2c(CCC2)n1	EMOLS-id_321294805,MCULE-6855415360	242.276	LFTCTQMHGRRJFX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025104
Cc1ccc(CC(=O)N2Cc3c[nH]nc3C2)cn1	ZINC22_646346791	242.276	BURMJBWOZNLDPK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025105
Cc1ccnc(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319413917	242.276	MYJOMVACVKSMLY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025106
Cc1ccnc(c1)C(=O)NC1CCn2c1cnc2	EMOLS-id_320311677,MCULE-6299436232	242.276	CYVDVHZWWRWCFJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025107
Cc1cc(O)nc(/C=C/c2cc3n(n2)CCC3)n1	ZINC22_1330123822,PC-id_136555774	242.276	PVPAMLCJRSTJHH-SNAWJCMRSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025108
Cc1nc(C=Cc2cc3n(n2)CCC3)nc(c1)O	EMOLS-id_316915919,MCULE-1329490821	242.276	PVPAMLCJRSTJHH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025109
CC(C(=O)N1Cc2c(C1)cn[nH]2)c1ccncc1	EMOLS-id_316416795,MCULE-1915485743	242.276	HFKNKRCPBQCHIF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025110
CC(=O)N(c1ccccc1)c1n[nH]c2c1CNC2	PC-id_90836594	242.276	IFIPJLQNHUHBKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025111
Cn1nc2c(c1/C=C/c1nccc(O)n1)CCC2	PC-id_139019570,ZINC22_899361279	242.276	XAYVNZOAYUMOCL-AATRIKPKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025112
Cn1nc2c(c1)CN(C2)C(=O)Nc1ccccc1	PC-id_141280100	242.276	PXMXZANMJXREJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025113
Cn1nc2c(c1NC(=O)c1cccnc1)CCC2	ZINC22_49425705,EMOLS-id_53753363,MCULE-4309901895	242.276	VVPSWVAHTGTSAG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025114
CNc1n[nH]c2c1CN(C2)C(=O)c1ccccc1	SCHEMBL12057909,PC-id_57555996	242.276	YNVQXKSEVDWZHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025115
O=C(c1cccnc1)NCc1cnc2n1CCC2	EMOLS-id_319612014	242.276	MBQVXPUFMNJZMM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025116
O=C(c1cccnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319112912	242.276	ORWLDROMDMITCK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025117
O=C(c1ccncc1)NCc1cnc2n1CCC2	EMOLS-id_319470881	242.276	QBGGOKLEHJCHSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025118
O=C(N1CCn2c1ncc2)CCc1ccncc1	MCULE-6206685267,EMOLS-id_319975094	242.276	GJVYLDOMJXHFJM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025119
O=C(Nc1ccccc1)c1nc2n(CCC2)c1N	PC-id_71739053	242.276	UHUFAFBUZVPHAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025120
O=C(NCc1nnc2n1CCC2)c1ccccc1	PC-id_25643302,CHEMBL4519210,CoCoCo_4491040,ZINC22_12978320,MCULE-3573046942,EMOLS-id_45741841	242.276	AYVQUJFMJYDYFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025121
CCC1(COC(=O)CC)Oc2c(O1)csc2	PC-id_141058649	242.291	RBCWGBLNYIHCPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025122
S1(=O)(=O)C(C(C)C)c2c(C1)coc2C(=O)C	PC-id_10331975	242.291	ZARMXTSHVNUVNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025123
S1(=O)(=O)C(C(C)C)c2c(C1)c(oc2)C(=O)C	PC-id_10466913	242.291	RYLPYAVJBFHQFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025124
c1ccc(cc1)/C=C/1[C@H](c2c(C1=O)scc2)O	PC-id_135043906	242.293	ADTJRAGAHNGMRI-OBIHZWKSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025125
C1C(C(=O)c2c1scc2)C(=O)c1ccccc1	PC-id_86699198,SCHEMBL15312113	242.293	YQNBLXYXEMIDET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025126
CCOC(=O)c1nc2n(c1C)C(C(S2)C)O	SCHEMBL2931718,PC-id_57489317	242.295	PAAGQQQPCOCBCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025127
COCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_261266998,PC-id_104287446	242.295	YNEBFQIGWBZPNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025128
O=Cc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_105503769	242.295	FLIJXFFAWDDRBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025129
O=Cc1n(CC(C)C)nc2c1CS(=O)(=O)C2	PC-id_105503771	242.295	NVTQYIWJNQAIRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025130
O=Cc1nn(c2c1CS(=O)(=O)C2)C(C)(C)C	PC-id_105503760	242.295	NEWMTIBELPVTRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025131
O=Cc1nn(c2c1CS(=O)(=O)C2)CC(C)C	PC-id_105503762	242.295	WJMBSMFEKJWOJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025132
OC(=O)CCCCC1SCc2c1[nH]c(=O)[nH]2	PC-id_21403564,SCHEMBL11755676	242.295	BPARNYZCFXOEKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025133
OC(=O)CCCC[C@H]1SCc2c1[nH]c(=O)[nH]2	PC-id_7097324,SCHEMBL2893329	242.295	BPARNYZCFXOEKY-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025134
s1c2C(OC(=O)c2n(CCOC)c1=N)(C)C	PC-id_68623118	242.295	VTDDBMKSXDXRFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025135
S1c2n(CC1)c(c(n2)CC(=O)OCC)CO	PC-id_82367517	242.295	XCLYIRCPTVFXPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025136
S1[C@@H](CCCCC(=O)O)c2[nH]c(=O)[nH]c2C1	PC-id_56940701	242.295	BPARNYZCFXOEKY-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025137
c1(C#N)c2CCCc2sc1N=Cc1ccco1	ChEMBL-DNDi_CHEMBL1427420,MCULE-4936424505,BindingDB-id_59965,PC-id_658659	242.296	RNNWAKHOFWQFNG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-025138
Nc1ccccc1/C=C/1Sc2cc[nH]c2C1=O	PC-id_6476995,CoCoCo_5413409,ZINC22_17014581,NSC96493	242.296	SAQRGAQZQZOAKX-XFFZJAGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025139
Nc1ccccc1/C=C
/Sc2cc[nH]c2C1=O	ZINC22_1621761,CoCoCo_5413408	242.296	SAQRGAQZQZOAKX-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025140
N#Cc1c2CCCc2sc1/N=C/c1ccco1	ZINC22_12341693,STOCK1S-67703,EMOLS-id_26254286,PC-id_9568644,BindingDB_PC-id_9568644	242.296	RNNWAKHOFWQFNG-OVCLIPMQSA-N	00000010101000000000000010000000000000000000000000000000	25-01-025141
N#CC1CCn2c1ccc2C(=O)c1cccs1	PC-id_21331533,SCHEMBL10958281	242.296	AUFOZVCWUIAFEZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-025142
S1c2c([nH]cc2)C(=O)C1=Cc1c(N)cccc1	PC-id_262611	242.296	SAQRGAQZQZOAKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025143
S=C1N(Cc2ccccc2)C(=O)c2n1ccc2	PC-id_11184091	242.296	XOMYYIHNLSMRQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025144
NC1(CC1)CCc1nn2c(n1)S(=O)(=O)CC2	PC-id_105503786	242.298	FTTBVAXLGHWCKL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025145
O=S(=O)(N1CCn2c1ncc2)N1CCCC1	MCULE-4429912972,EMOLS-id_316444221	242.298	PLWKMQINZYOUDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025146
S1(=O)(=O)c2n(nc(n2)C(C2CC2)CN)CC1	PC-id_82664274	242.298	GNAFKXMISQIHJV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025147
c1(Nc2ccnc(c2)C#N)sc2c(CCC2)n1	MCULE-9634563380,PC-id_62937089	242.3	NZQUJLONJMYXMU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025148
N#Cc1ccc(cn1)Nc1sc2c(n1)CCC2	PC-id_113320583	242.3	QYTOCTHXWUAOFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025149
s1c2CCCc2nc1Nc1cccnc1C#N	PC-id_81594423	242.3	YHEOLQIJELAXDV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025150
s1c2CCCc2nc1Nc1c(ccnc1)C#N	PC-id_81755076	242.3	CPFVCPCMDHYABB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025151
s1c2CCCc2nc1Nc1nccc(c1)C#N	PC-id_54963599	242.3	OKRIKTUSVGBMQI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025152
s1c2CCCc2nc1Nc1ncc(cc1)C#N	PC-id_54963600	242.3	VGVLRMFELIKKQH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025153
s1c2CCCc2nc1Nc1ncccc1C#N	PC-id_54963648	242.3	YDQVBTKALHITQY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025154
s1c2CCCc2nc1Nc1nc(ccc1)C#N	PC-id_64593940	242.3	CRDBIUUZXPPEIR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025155
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)C	MCULE-8580705804,EMOLS-id_331020524	242.316	HWHQBNSQHJCVOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025156
c12C(C)CCc1nn(Cc1ccc(cc1)OC)c2	EMOLS-id_331001507,MCULE-2810983655	242.316	BSEFAILYINGJMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025157
c12C(C)CCc1nn(Cc1ccccc1OC)c2	MCULE-8839374524,EMOLS-id_330997928	242.316	IVNYFCNYFLHXJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025158
c12C(C)CCc1nn(Cc1cccc(OC)c1)c2	MCULE-9768087306,EMOLS-id_330998950	242.316	NSJQWINCOPPTNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025159
CC1CCc2c1c(CO)nn2Cc1ccccc1	EMOLS-id_331009012,MCULE-2618206953	242.316	ROWHCRNDOUGQEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025160
CC1CCc2c1c(O)nn2Cc1ccccc1C	EMOLS-id_330959348,MCULE-4489628036	242.316	VORQZDOHUWVDJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025161
CC1CCc2c1c(O)nn2Cc1cccc(C)c1	MCULE-4922385591,EMOLS-id_330959093	242.316	PJMXOUZUHRKYJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025162
CC1CCc2nn(Cc3ccccc3C)c(O)c12	MCULE-1444567029,EMOLS-id_331009697	242.316	SKSGYHBYNFHRMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025163
CC1CCc2nn(Cc3ccccc3)c(CO)c12	MCULE-6995343862,EMOLS-id_330987711	242.316	PPEMNQYHPXBLBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025164
CC1CCc2nn(Cc3cccc(C)c3)c(O)c12	EMOLS-id_331009442,MCULE-6701279536	242.316	SCJJHDGLHCDYNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025165
CC1CCc2nn(Cc3ccc(C)cc3)c(O)c12	MCULE-3976952506,EMOLS-id_331005353	242.316	MOKGJRVRGIAPPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025166
COc1ccc(cc1)C(C)c1n[nH]c2CCCc12	EMOLS-id_337935127	242.316	UYAXMKPJMPKMRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025167
COc1ccccc1Cn1ncc2C(C)CCc12	EMOLS-id_331016170,MCULE-6209790339	242.316	CJXYVSLATHWOCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025168
COc1cccc(Cn2ncc3C(C)CCc23)c1	EMOLS-id_331017192,MCULE-3770755306	242.316	QIKJCQZDSWLJGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025169
COc1ccc(Cn2ncc3C(C)CCc23)cc1	EMOLS-id_331015654,MCULE-7865338707	242.316	DJANFMZOIFUAIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025170
o1c2c(CN(C2)Cc2ccccc2)c(CCN)c1	PC-id_83488036	242.316	ASGMCOHDOJOBBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025171
Oc1n(CCCc2ccccc2)nc2c1CCC2	EMOLS-id_315354576	242.316	OHDIVZZJWCIBSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025172
O=c1n([nH]c2c1CCC2)CCCc1ccccc1	PC-id_66021933	242.316	GJAOOSJRWDTOMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025173
OCC1C(NCc2ccccc2)c2n(C1)ccc2	PC-id_78182234	242.316	SHFLNXSSAVVDIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025174
OC[C@@H]1[C@H](NCc2ccccc2)c2n(C1)ccc2	CoCoCo_5780631,NSC713596,PC-id_400912	242.316	SHFLNXSSAVVDIM-HIFRSBDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025175
OC[C@@H]1Cn2c([C@H]1NCc1ccccc1)ccc2	CoCoCo_5780632	242.316	SHFLNXSSAVVDIM-ZFWWWQNUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025176
OC[C@H]1Cn2c([C@@H]1NCc1ccccc1)ccc2	CoCoCo_5780633	242.316	SHFLNXSSAVVDIM-UKRRQHHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025177
OC[C@@H]1Cn2c([C@@H]1NCc1ccccc1)ccc2	CoCoCo_5780634	242.316	SHFLNXSSAVVDIM-DZGCQCFKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025178
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)C	PC-id_45147267,MCULE-4302990801,EMOLS-id_40632395,CoCoCo_6400624	242.318	XHWZHAXNKLXQDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025179
c1ccc(cc1)NCCCc1nnc2n1CCC2	EMOLS-id_314057585,PC-id_60835884	242.32	FLIBEEBEAROTOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025180
c1(C(C)NCc2ccccc2)nnc2CCCn12	PC-id_43433235,MCULE-8957786070	242.32	CXMBLIOXVLSVJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025181
c1(CN(C)Cc2ccccc2)nnc2CCCn12	ZINC22_531016652,EMOLS-id_330434405,MCULE-1292102868	242.32	CATVRLFNPSRUNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025182
Cc1ccc(cc1)NCCc1nnc2n1CCC2	EMOLS-id_314057073,PC-id_54924299	242.32	XIUJVMFBFJIIPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025183
Cc1ccccc1NCCc1nnc2n1CCC2	PC-id_60835731,EMOLS-id_314057329	242.32	KEKMAQVARXZOOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025184
CC1CCn2c(CCNc3ccccc3)nnc12	EMOLS-id_317874667,MCULE-1996483090,PC-id_138810130	242.32	SCUUTYDTEJSRPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025185
CC(c1ccccn1)NC1CC(n2c1ncc2)C	EMOLS-id_317926838	242.32	PWUARTKWOWCURF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025186
C[C@@H]1CCn2c(CCNc3ccccc3)nnc12	ZINC22_1775983722	242.32	SCUUTYDTEJSRPY-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025187
C[C@H]1CCn2c(CCNc3ccccc3)nnc12	ZINC22_1775983723	242.32	SCUUTYDTEJSRPY-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-025188
CNCc1nnc2CC(Cc3ccccc3)Cn12	PC-id_139599597,MCULE-3559286305,EMOLS-id_323886228	242.32	FLCRTZHNWYLRKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025189
CNCc1nnc2n1C[C@H](Cc1ccccc1)C2	ZINC22_1800413389	242.32	FLCRTZHNWYLRKE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025190
CNCc1nnc2n1C[C@@H](Cc1ccccc1)C2	ZINC22_1800413390	242.32	FLCRTZHNWYLRKE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025191
n12CCCc1nnc2CCC(N)c1ccccc1	PC-id_54924348	242.32	JRMZHBCAPJQTBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025192
n12CC(Cc1nnc2CCN)Cc1ccccc1	PC-id_145933115,MCULE-2733095193,EMOLS-id_324009551	242.32	LUUQBYLKLUDIMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025193
n12c(nnc1CCC2)C(c1ccc(N)cc1)(C)C	EMOLS-id_315486973,PC-id_80555831	242.32	KLKQKGFCTUJLLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025194
N1(Cc2c([nH]nc2CCN)C1)Cc1ccccc1	PC-id_83870573	242.32	KRGNPGOZIZEZSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025195
N1(Cc2c([nH]nc2CNC)C1)Cc1ccccc1	PC-id_83870575	242.32	FVGACXFUARNMGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025196
N1(Cc2c(n(nc2CN)C)C1)Cc1ccccc1	PC-id_83870571	242.32	KSSRFGRJZDSQBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025197
N1(Cc2c(nn(c2CN)C)C1)Cc1ccccc1	PC-id_83870638	242.32	FDDWEILVRZAUGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025198
N1(C(c2c(n(nc2N)C)C1)C)Cc1ccccc1	PC-id_83851104	242.32	WDRIVVSFDFABEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025199
N1(C(c2c(nn(c2N)C)C1)C)Cc1ccccc1	PC-id_83851109	242.32	AWPMYWHUWDVGQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025200
N1(Cc2c(nn(c2NC)C)C1)Cc1ccccc1	PC-id_83870635	242.32	JPJUYYZHTRFXOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025201
N1(C(c2[nH]nc(N)c2C1)CC)Cc1ccccc1	PC-id_83851107	242.32	OWNBUVZBYUJVOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025202
N1(C(c2[nH]nc(N)c2C1)(C)C)Cc1ccccc1	PC-id_83851108	242.32	BQNQQDDZGNXXIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025203
N1(Cc2n(nc(NC)c2C1)C)Cc1ccccc1	PC-id_83870567	242.32	QJURHDBPERRELJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025204
Nc1ccc(cc1)C(Cc1nnc2n1CCC2)C	PC-id_104503129	242.32	PITBMCPHMNUIAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025205
NC(c1nnc2n1CCC2)CCc1ccccc1	PC-id_113651019	242.32	MXJVJDNZASESFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025206
NCCc1nnc2n1C[C@H](Cc1ccccc1)C2	ZINC22_1857687923	242.32	LUUQBYLKLUDIMZ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025207
NCCc1nnc2n1C[C@@H](Cc1ccccc1)C2	ZINC22_1857687924	242.32	LUUQBYLKLUDIMZ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025208
SC(=S)NNC(=O)c1[nH]nc2c1CCC2	PC-id_121485596,SCHEMBL17934690	242.321	MYBDUAZTDABMEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025209
S1(=O)(=O)C(c2c(C1C(C)C)coc2)C(C)C	PC-id_85626782	242.335	CNTLGLTWNRRRFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025210
c1(C(=O)c2ccc(cc2)C)cc2c(CCC2)s1	EMOLS-id_37654387,PC-id_43463038,MCULE-3642669007	242.336	XEFPRINTXDGARL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025211
Cc1cccc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114962657	242.336	HAYJVNAZAXLICE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025212
Cc1ccccc1C(=O)c1sc2c(c1)CCC2	PC-id_114962949	242.336	WATRQIOAGRHVDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025213
O=C(c1sc2c(c1)CCC2)Cc1ccccc1	PC-id_61080104,EMOLS-id_38051374	242.336	OEALCEXDOALZOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025214
COCC(CNCc1sc2c(n1)CCC2)O	PC-id_109948606	242.338	WJHQZYGQNLMBAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025215
COC[C@@H](NCc1sc2c(n1)CCC2)CO	PC-id_100624433	242.338	PEUZEFZPIZONHW-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025216
COC[C@H](NCc1sc2c(n1)CCC2)CO	PC-id_100624445	242.338	PEUZEFZPIZONHW-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025217
COCC(NCc1sc2c(n1)CCC2)CO	MCULE-6281768634,PC-id_119040050,EMOLS-id_53818531	242.338	PEUZEFZPIZONHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025218
OCC(NC(c1sc2c(n1)CCC2)C)CO	PC-id_115997469	242.338	DEYQVXLCQCBHDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025219
OCC(NCc1sc2c(n1)CCC2)(CO)C	PC-id_115978323	242.338	QGOARYKGUGHPLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025220
OCCOCCNCc1sc2c(n1)CCC2	PC-id_109948518	242.338	CSVUNXBHZPHDJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025221
S1(=O)(=O)Cc2c([nH]c(c2CCN)C(C)C)C1	PC-id_84801663	242.338	ICHVXSORNLGSMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025222
S1(=O)(=O)Cc2c([nH]c(C(C)(C)C)c2CN)C1	PC-id_84801662	242.338	VHGUAZIIODZNKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025223
CC1(C)C[C@H](c2n1ccc2)[NH2+]Cc1ccncc1	GD-id_ZINC01496223	242.339	HJBWXEBWDLOENV-CYBMUJFWSA-O	00000010100000101000000010000000000000000000000000000000	25-01-025224
N#CC(=C1Sc2c(S1)sn[s+]2)C#N	PC-id_102433417	242.344	ANRNIMMZJZLLJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025225
COCCCC1(C)Sc2c(C1=O)ccs2	PC-id_15728288,SCHEMBL9653554	242.358	CHYOBXRIVVNAMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025226
S1(=O)(=O)C(CCCC=C)c2sccc2C1	PC-id_85617680	242.358	YADLZIGOTYZNCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025227
C1Cc2c(C1NC(=S)NCCO)scc2	PC-id_87601719,SCHEMBL3957671	242.361	WKVVKZFQWJRTKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025228
CC(=C)/C=CC(=C)c1c(C)sc2c1CC(=C2)C	PC-id_142211190	242.379	ZXVMKQXJXFATRK-SREVYHEPSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025229
CCSCCC(c1sc2c(n1)CCC2)N	PC-id_116504452	242.404	ZFGGLGZAFSQYCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025230
CNC(C(C)C)CN1Sc2c(C1)scc2	PC-id_143105272	242.404	OTIUVYWTVMKMIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025231
CSCCC(c1sc2c(n1)CCC2)NC	PC-id_61330181,EMOLS-id_38236606	242.404	TZKUOCUZIDXCEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025232
CSCCCC(c1sc2c(n1)CCC2)N	PC-id_103089564	242.404	DFFHSVFQUNHQII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025233
CSCCCNCc1sc2c(n1)CCC2	PC-id_115887594	242.404	XJRRFPNLGAFUSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025234
CSCCNC(c1sc2c(n1)CCC2)C	PC-id_115869631	242.404	XDLOORDCTIVLMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025235
CSCC(NCc1sc2c(n1)CCC2)C	PC-id_115887604	242.404	SUNKVIWHBFUQNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025236
CSC(CNCc1sc2c(n1)CCC2)C	PC-id_115888038	242.404	NFJNSJWWEKTPRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025237
Cn1c(c2CCCn2c1=S)O[Si](C)(C)C	PC-id_91751545	242.413	RPBYPGCGSGATCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025238
ClC1CC(N)c2c1c(Cl)sc2Cl	PC-id_396944	242.553	OZERQYIZQFSNON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025239
Cl[C@H]1C[C@@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5770718	242.553	OZERQYIZQFSNON-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025240
Cl[C@@H]1C[C@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5770719	242.553	OZERQYIZQFSNON-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025241
Cl[C@@H]1C[C@@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5770720	242.553	OZERQYIZQFSNON-GBXIJSLDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025242
Cl[C@H]1C[C@H](c2c1c(Cl)sc2Cl)N	CoCoCo_5770721	242.553	OZERQYIZQFSNON-STHAYSLISA-N	00000010100000000000000010000000000000000000000000000000	25-01-025243
c1(cnn2CC(F)(F)Cc12)S(=O)(=O)Cl	EMOLS-id_320441365,MCULE-3764438140	242.631	JSBXDLWQPCGQON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025244
Clc1n(nc2c1CSC2)CC(F)(F)F	EMOLS-id_114798536	242.649	QCBUAXMSIXGXSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025245
CCOC(=O)Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330961072,MCULE-4818691428	242.702	ZTPLSSLTVVHIBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025246
CCOC(=O)Cn1nc(Cl)c2C(C)CCc12	EMOLS-id_330974718,MCULE-7110777364	242.702	DUAKRDOKLSSFAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025247
Clc1n(cc2C(CCc12)(CC(=O)O)CN)C	PC-id_83912750	242.702	CEWBBUURKSCELW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025248
Clc1n(cc2C(N)(CCc12)C(=O)O)C(C)C	PC-id_83912752	242.702	CUDSRYLWHMQOEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025249
COC(=O)Cn1nc2CCC(C)c2c1CCl	MCULE-5232123159,EMOLS-id_331010230	242.702	TYJYLKCCIDRQKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025250
COC(=O)Cn1nc(CCl)c2C(C)CCc12	MCULE-9319343338,EMOLS-id_331028998	242.702	IGMGHKSJROMRPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025251
ClCCC(=O)NC(c1n2CCCc2nn1)C	PC-id_43696335,EMOLS-id_37793860	242.705	FKGMBNWXJRCIBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025252
ClCCC(=O)N(Cc1n2CCCc2nn1)C	PC-id_60949722,EMOLS-id_37965904	242.705	VVUMYFDJXXWRFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025253
ClC(C(=O)N(Cc1n2CCCc2nn1)C)C	EMOLS-id_37965906,PC-id_60949847	242.705	QTQVVRSSKXMJJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025254
ClC(C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_43696336	242.705	DHHIXPKWRKJNSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025255
CCC(O)Cn1nc2CCC(C)c2c1CCl	MCULE-3381456826,EMOLS-id_331011766	242.745	OXEBEXWWNUVGFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025256
Brc1nn(c2c1CCC2)C(C)(C)C	PC-id_105504048	243.143	ZDOJDTZQHBKHAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025282
CCC(O)Cn1nc(CCl)c2C(C)CCc12	EMOLS-id_331026439,MCULE-9065030751	242.745	FZSNEYKMTRDLKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025257
Clc1n(cc2C(O)(CCc12)CCN)C(C)C	PC-id_83912762	242.745	GWQMFFIHTZWYFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025258
CCC1Cc2c(C1)cc(s2)C(C(=O)Cl)C	SCHEMBL11532444	242.765	LFTLLTYYDLOXGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025259
ClCCC(=O)c1cc2c(CC(C)(C)C2)s1	MCULE-2504032931,SCHEMBL1393631,PC-id_58044295	242.765	LWTOCVPMOQGEPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025260
ClC(=O)Cc1sc2c(c1)CC(C2)C(C)C	SCHEMBL11530549	242.765	VGEWHGOGTFUBPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025261
ClC(=C)CNC(c1sc2c(n1)CCC2)C	PC-id_115997486	242.768	YYXOJXHMSUWWFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025262
CC1=C(C)C(c2c1ccs2)[Si](Cl)(C)C	SCHEMBL817633,PC-id_58526148	242.84	QTBGEBUKOWZMQO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025263
Cl[Si](C1C(=C(c2sccc12)C)C)(C)C	PC-id_86077911	242.84	JWJWDRCDRZOSHR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025264
CC1=C2C(=C([Se]1)C)C(=O)N(C2=O)C	PC-id_165107913	242.98	ICYXPRRVUHIEKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025265
CC(=O)N1CC(=O)c2c1cc([nH]2)Br	PC-id_97776608	243.057	XWNLBUGXFBPWBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025266
CCC1=Cc2c(C1)p(cc2Br)C	SCHEMBL2960849	243.08	MGWUXLYPUNKOPZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025267
CCC1=Cc2c(C1)p(c(c2)Br)C	SCHEMBL2967464	243.08	UXQHVEJFXDJXOF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025268
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1OO	PC-id_165352512	243.09	ZHNGIMQQQKGPAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025269
Brc1c2COCc2nn1CC1CC1	EMOLS-id_324399444,MCULE-9282270970	243.1	LSYKTKZFRXAVKZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025270
C1CC2=C(C1)NN=C2NC(=O)OC3=CC=CC=C3	PC-id_153972274	243.101	COUVVTVQQRBLLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025271
CCOC(=O)C(c1c2C[C@H](Cn2cn1)F)NO	PC-id_163658912	243.102	ISRLTDVREHQCFH-VJSCVCEBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025272
CC1=CC(=CN=N1)C(=O)NC2CCN3C2=NC=C3	PC-id_154772026,EMOLS-id_317357333,MCULE-3466902281	243.112	LSWBPGOUTBPKEP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025273
c12CN(Cc1sc(C#N)c2Br)C	MCULE-7108635445,EMOLS-id_330872646	243.124	GYBSBLHSFXRCOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025274
c1(C#N)c(Br)sc2CN(C)Cc12	EMOLS-id_331066920,MCULE-8298149919	243.124	WIHVPLLEQALGBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025275
Clc1sc(Cl)c2CS(=O)(=O)Cc12	PC-id_10879325	243.131	UMLDBDXFDWCDRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025276
Brc1c2CCCc2oc1C(C)(C)C	PC-id_84801935	243.14	TVRNONLNVATAGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025277
BrCc1c2CCCc2oc1C(C)C	PC-id_83610289	243.14	MQOGUVDXANKHQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025278
BrCc1c2CCCc2oc1CCC	PC-id_83610361	243.14	UCEDYFNSTKISAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025279
Brc1c2c([nH]c1C(C)C)CN(C2)C	PC-id_84801938	243.143	CRIBXAWZVDGBMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025280
Brc1c([nH]c2c1CNC2)C(C)(C)C	PC-id_84801937	243.143	SDOZOONHGXSVES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025281
c12CCC(C)c1c(nn2C(C)C)Br	EMOLS-id_330973174,MCULE-6619351982	243.143	VSPZEZHZHPLWTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025283
CC(C)(C)n1nc2CCCc2c1Br	EMOLS-id_178071735,MCULE-2082161151,PC-id_105504052	243.143	TXAMIJWNMBCRAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025284
CC(Cn1nc2c(c1Br)CCC2)C	PC-id_105504053	243.143	FRQSGWVXFOJARU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025285
CCn1nc2CCC(C)c2c1CBr	EMOLS-id_331017914,MCULE-7487951063	243.143	VVKVLJGEJYEDHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025286
Brc1n(cc2C(CCc12)CCN)C	PC-id_83912770	243.144	DBTUVZDXNIFHDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025287
Brc1n(cc2C(CCc12)CNC)C	PC-id_83912772	243.144	GKBHWZRVSOPRQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025288
Brc1n(cc2C(N)CCc12)C(C)C	PC-id_83912776	243.144	SKKLDPWZILDBLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025289
c12C(C)CCc1n(nc2Br)CCC	MCULE-8944854119,EMOLS-id_330970615	243.144	ICUCREGPZWBUPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025290
c12C(C)CCc1nn(CCC)c2Br	EMOLS-id_331019433,MCULE-6447332199	243.144	FUUYXGODQNGBQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025291
c1(Br)c2C(C)CCc2nn1C(C)C	EMOLS-id_331021992,MCULE-6493288499	243.144	JFFODCWLIDVPRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025292
CC(C)(CBr)c1n[nH]c2CCCc12	MCULE-3552205773,EMOLS-id_313952707	243.144	HPCYLXYPSIOVBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025293
CC(C)Cn1nc(Br)c2CCCc12	EMOLS-id_324386143,MCULE-5559711239,PC-id_105504049	243.144	WBRZXCNWIVBBQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025294
CCn1nc(CBr)c2C(C)CCc12	EMOLS-id_331033611,MCULE-6026877014	243.144	WMUAIBMOZAXYFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025295
CC1=CC(=NC(=N1)C)NCC2=NN3CCCC3=C2	MCULE-4554075341,EMOLS-id_257934695,PC-id_154763491	243.148	KALBXCWIKIKZRE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025296
Brc1c2C(=CCc2sc1)CCC	SCHEMBL2963099,PC-id_68458840	243.163	GRWFZHPHOGIFPT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025297
Brc1c2c(sc1)CC(=C2)CCC	SCHEMBL2962982,PC-id_68458797	243.163	IGQMZOUVPGFHPC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025298
Brc1c2c(sc1)C(CCC)C=C2	SCHEMBL2970609,PC-id_68461452	243.163	OBMNWYCNDALBIU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025299
Brc1sc2CC(=Cc2c1)CCC	SCHEMBL2969310,PC-id_68460998	243.163	RTTQGBMTBMGPCD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025300
Brc1sc2c(C(=CC2)CCC)c1	SCHEMBL2967455,PC-id_68460327	243.163	IWTYLRANPQWIFR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025301
Brc1sc2C(CCC)C=Cc2c1	SCHEMBL2959655,PC-id_68457603	243.163	FDFXTXYTKRQARJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025302
Brc1sc(c2CC=Cc12)CCC	PC-id_68460249,SCHEMBL2967199	243.163	KKAFEAGQGULUNX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025303
BrCC(=C)c1cc2CCCc2s1	MCULE-5612077679,EMOLS-id_313955546	243.163	LNTHQZKSGWLLAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025304
CC1=C(C)c2c(C1C)c(Br)cs2	PC-id_142613430	243.163	JWRHTODNXLHIJI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025305
CC1C(=C2C(=C(N(C2=C(C)C)C)C)C1=C(C)C)C	PC-id_160911766	243.199	SQWNCTCYBMQBHS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025306
O=C(c1nn2c(c1)OCC2)N1CCC(C1)(F)F	EMOLS-id_102541809	243.21	YIOZHHJJFFZRTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025307
s1c(c2OCOc2c1C(=O)[O-])C(=O)OCC	PC-id_85843688	243.213	FFWXPBMXIMUEED-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-025308
COC(C1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])OC	PC-id_23081089,SCHEMBL5543438	243.217	QGORZTCAYHDYPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025309
COC([C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])OC	SCHEMBL5540456,PC-id_69480831	243.217	QGORZTCAYHDYPQ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025310
O1C(Cn2c1nc([N+](=O)[O-])c2)CCOCOC	PC-id_23081554,SCHEMBL5540918	243.217	AIRVMQVDXVVKTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025311
O1C(Cn2c1nc([N+](=O)[O-])c2)(COCOC)C	PC-id_69480834,SCHEMBL5540461	243.217	JHVGQCJDOZGMIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025312
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COCOC)C	SCHEMBL5540453,PC-id_69480830	243.217	JHVGQCJDOZGMIX-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025313
CC(n1nc2CCC(C)c2c1C#N)C(F)(F)F	EMOLS-id_331000511,MCULE-5051968555	243.228	WNZWUAAEKKUCLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025314
CC(n1nc(C#N)c2C(C)CCc12)C(F)(F)F	MCULE-7746368634,EMOLS-id_331019765	243.228	UBVJAFOMUHRWOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025315
COC(=O)N1Cc2c([C@H]1C(=O)OC)snn2	CoCoCo_6972862,PC-id_8228321	243.24	XSIYXONHWUOLOY-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025316
COC(=O)N1Cc2c([C@@H]1C(=O)OC)snn2	PC-id_8228322,CoCoCo_6972861	243.24	XSIYXONHWUOLOY-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025317
s1nnc2CN(C(c12)C(=O)OC)C(=O)OC	PC-id_11841917	243.24	XSIYXONHWUOLOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025318
CCOC(=O)c1cc2c([nH]1)C(C(C2)(C)C)(F)F	PC-id_139034161	243.25	YQTWIJXQDVMJQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025319
CCOC(=O)c1cc2c([nH]1)CC(C2(F)F)(C)C	PC-id_139034289	243.25	PTPPBDVFGWIMJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025320
c1(C(=O)N(C)C)c2CCCc2n(CC(F)F)n1	EMOLS-id_324388694,MCULE-2169707959	243.253	QPHNHWSTZYQLMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025321
CCCC(=O)c1nn2C(CCc2n1)C(C)(F)F	PC-id_134577440,SCHEMBL20228825	243.253	CZGSXFWAAHWNOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025322
CCNC(=O)c1c2CCCc2nn1CC(F)F	MCULE-7338704029,EMOLS-id_324392273	243.253	SOEPTLXKFNYUEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025323
C1C(=O)Cc2c(n(c(c12)O)Cc1ccccc1)O	PC-id_91171166	243.258	JIPZZXQOYHEKOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025324
COc1ccccc1Cn1cc2c(c1)COC2=O	PC-id_102236450	243.258	NHSKTNLLMZXTJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025325
COc1cccc(c1)Cn1cc2c(c1)COC2=O	PC-id_102236451	243.258	BLQYPIDPMDLMKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025326
COc1ccc(cc1)Cn1cc2c(c1)COC2=O	PC-id_102236452	243.258	VUZZXTLNFWXUAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025327
o1c2CN(Cc2cc1C(=O)O)Cc1ccccc1	PC-id_84018505	243.258	LGGDVTSXQSXRBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025328
o1c(c2CN(Cc2c1)Cc1ccccc1)C(=O)O	PC-id_82372654	243.258	GUZRIIBQCXDGLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025329
O(c1n2CCC(c2cc1)C(=O)O)c1ccccc1	PC-id_70358766,SCHEMBL10398048	243.258	LPLFHBAVOUDSCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025330
c1(C(=O)Nc2ccc(cc2)O)c2CCCc2[nH]n1	EMOLS-id_323258803,MCULE-6546409323	243.261	RZMVMFDJNWOYAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025331
c1(C(=O)Nc2ccccc2O)c2CCCc2[nH]n1	MCULE-1636489423,EMOLS-id_334967559	243.261	YSELLHFCUZZYAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025332
c1(C(=O)Nc2cccc(O)c2)c2CCCc2[nH]n1	EMOLS-id_323257012,MCULE-9434428625	243.261	ICSYWZMBUZDTDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025333
N1(Cc2ccccc2)Cc2c(C(=O)O)n[nH]c2C1	CHEMBL395192,EMOLS-id_316170849,PC-id_44441328,MCULE-6083474443	243.261	HBFGMHYTWYYGHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025334
NC(=O)N(c1onc2c1CCC2)c1ccccc1	PC-id_142903022	243.261	XODXJQRQRJDRKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025335
[nH]1cc2CN(C(=O)OCc3ccccc3)Cc2n1	PC-id_121229258,MCULE-1192086082,EMOLS-id_45989252,EMOLS-id_45989254	243.261	RBSWZUSGTIQPJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025336
o1nc2CCCc2c1NC(=O)Nc1ccccc1	PC-id_58664496,SCHEMBL5929561	243.261	HFCQIGFCAFLTEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025337
O=C(c1ccoc1C1CC1)N1CCn2ccnc12	EMOLS-id_177338233,MCULE-6925372909,ZINC22_585122427	243.261	DIPHFSCTEGZBRL-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-025338
O=C(Nc1nn2c(c1)CCC2)Oc1ccccc1	SCHEMBL2797769,PC-id_59394555	243.261	FSVFMJZAEAYTFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025339
OC(=O)c1ccc(Cn2nc3c(CNC3)c2)cc1	PC-id_84751051	243.261	GLAFKSPXMYOFGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025340
OC(=O)c1ccc(Cn2ncc3c2CNC3)cc1	PC-id_84751054	243.261	VHSOGWONOVJRQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025341
OC(=O)c1n(Cc2ccccc2)nc2c1CNC2	PC-id_97776443	243.261	JQMBZUUXPRRRPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025342
O=C(OCc1ccccc1)c1cnn2CCNc12	EMOLS-id_277328192,MCULE-9589786311	243.261	YLFKXTZKIVHKEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025343
O=C(OCc1ccccc1)C1NCc2n[nH]cc12	EMOLS-id_277327426,MCULE-9439712285	243.261	CDFKRNORZRRCID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025344
OC(=O)N(c1[nH]nc2c1CCC2)c1ccccc1	SCHEMBL13858508,PC-id_71014419	243.261	SPYZUUWGLRAHAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025345
c1(C(=O)Nc2ncccn2)c2CCCc2n(C)n1	PC-id_110678750,EMOLS-id_180404758,MCULE-7157973409	243.265	IYGROWXONLITPR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025346
Cc1cc(=O)[nH]c(n1)NN=C1CCn2c1ccc2	PC-id_136269473,MCULE-2932632485,EMOLS-id_44522102	243.265	DGNCPIDDSQYMFQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025347
Cc1cc(=O)[nH]c(N/N=C/CCn3cccc23)n1	PC-id_75362240,ZINC22_84114481	243.265	DGNCPIDDSQYMFQ-DHDCSXOGSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025348
Cc1cnn(c1C=C1C(C)n2c(C1=O)ncn2)C	EMOLS-id_278712925	243.265	GUAQMKUZMZGDHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025349
CC1n2ncnc2C(=O)C1=Cc1[nH]c(c(n1)C)C	MCULE-2614679609,EMOLS-id_258063855	243.265	WUNXHBZLFWYFPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025350
Cc1nn(c(c1)C=C1C(C)n2c(C1=O)ncn2)C	MCULE-6493995020,EMOLS-id_258063852	243.265	IZEDOTYECJWSAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025351
Cn1nc2c(c1NC(=O)c1cnccn1)CCC2	MCULE-5849920180,EMOLS-id_313149532,ZINC22_49425658	243.265	KUXIEXBMHLFGAI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025352
Cn1ncc2c1CN(C(=O)Nc1ccccn1)C2	PC-id_146144582,ZINC22_1191316377	243.265	AOJZVAUVEGSAFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025353
Cn1ncc2c1CN(C(=O)Nc1cccnc1)C2	PC-id_146144583,ZINC22_1185677536	243.265	MEKMNPHROOSTHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025354
CNc1ccc(nc1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317947228	243.265	FWRAECNNZDURJQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025355
CNc1ccc(nc1)C(=O)N1CCn2c1ccn2	EMOLS-id_318793463	243.265	CYIFZGRDDCYAIO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025356
CNc1ccc(nc1)C(=O)N1CCn2c1ncc2	EMOLS-id_319642661	243.265	YGHOXCBZMQAEIR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025357
COc1ccnc(n1)NN=C1CCn2c1ccc2	PC-id_71897508,EMOLS-id_44526862,MCULE-9929934895	243.265	GKWBSVULGVCZJF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025358
COc1ccnc(N/N=C/CCn3cccc23)n1	PC-id_75362500,ZINC22_83984332	243.265	GKWBSVULGVCZJF-DHDCSXOGSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025359
Nc1ccc(cn1)NC(=O)c1n[nH]c2c1CCC2	PC-id_119515003,MCULE-1284277081,EMOLS-id_301632196	243.265	UPDFDSDYJCBTEZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025360
N=C1C=C/C(=Nc2c(=O)n3n(c2C)CCC3)/C=N1	PC-id_57578029,SCHEMBL3854754	243.265	GPFAIUMPPGWOAK-MSWWUYRUSA-N	00000010100011000001000010000000000000000000000000000000	25-01-025361
Nc1nccc(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319638170	243.265	FUIVYZANDXJEPP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025362
Nc1nccc(c1)C(=O)NC1CCn2c1cnc2	EMOLS-id_319828264	243.265	NNCNZLOWWLQDEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025363
O=C1C(=Cc2nnn(c2)C(C)C)Cn2c1ncc2	MCULE-2635736936,EMOLS-id_258060200	243.265	HGDIFKHQUGRQBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025364
O=C(c1ccccn1)NCc1nnc2n1CCC2	CoCoCo_4651272,PC-id_45806074	243.265	RIZSTQXCXWTHKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025365
O=C(c1cccnn1)NCc1cnc2n1CCC2	EMOLS-id_320215491,MCULE-5120853009	243.265	VNLLGVZBSDEILR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025366
O=C(c1cccnn1)NCc1n[nH]c2c1CCC2	EMOLS-id_320290449,MCULE-5695442176	243.265	AXZBKOURUCCWMO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025367
O=C(c1ccncn1)NCc1cnc2n1CCC2	EMOLS-id_319398819	243.265	GBYRXIQBZVZQJF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025368
O=C(c1cnccn1)NCc1n[nH]c2c1CCC2	MCULE-9454357174,EMOLS-id_320125333	243.265	WZKWGJGPKPZEQO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025369
O=C(c1cncnc1)NCc1cnc2n1CCC2	EMOLS-id_319860320	243.265	DJKJSBIBBAJTJV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025370
O=C(c1cncnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319673989	243.265	FCEDUTXIDZJGDY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025371
O=C(C1NCc2c1c[nH]n2)Nc1ccncc1C	EMOLS-id_319182414	243.265	USUBTIPPNLRFBM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025372
O=C(C1NCc2c1c[nH]n2)Nc1cnccc1C	MCULE-3464414507,EMOLS-id_320007822	243.265	JTRFACPGQMWRNW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025373
O=C(c1n[nH]c2c1CCC2)N1CCn2nccc12	MCULE-5782824782,PC-id_146087135,ZINC22_367513018,EMOLS-id_324028419	243.265	IMFHVSHCOGJKFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025374
O=C(N1CCn2c1ncc2)c1n[nH]c2c1CCC2	EMOLS-id_319751176	243.265	VTWWFWBTZPDCNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025375
O=C(N1CCn2c1ncc2)c1n[nH]c(c1)C1CC1	EMOLS-id_279043945	243.265	PURRIIJFBNXTCK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-025376
O=C(N1CCn2c1ncc2)Nc1cccc(n1)C	EMOLS-id_320097106,MCULE-7057484175	243.265	VPLRPXRDXUXYBH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025377
O=C(NC1CCn2c1ncc2)Nc1cccnc1	EMOLS-id_318870266	243.265	KGXFMAKQOBLIQN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025378
O=C(NCc1n2CCCc2nn1)c1cccnc1	PC-id_52024781	243.265	YDZZOECQTNFWAA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025379
Fc1ccc(cc1)/C=CCc1onc2c1CCC2	PC-id_142903027	243.276	YGRGDMYQOAUGPA-IWQZZHSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025380
O=Cc1cc2c([nH]1)CCC2Cc1cccc(c1)F	PC-id_144126412	243.276	INJJUGGINBDCFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025381
C/C=C(C=C(/C(=C)[C@H]1CCc2n1cnc2)F)/C#N	SCHEMBL19152591	243.279	SUHLQQGMJPYYEF-NEASVPFDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025382
S1(=O)(=O)Cc2c([nH]c(c2C(=O)O)C(C)C)C1	PC-id_84801985	243.28	WYVDVCSTBGTALT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025383
C1C(C(=O)c2c1scc2)C(=O)c1ccccn1	SCHEMBL15312155,PC-id_86699221	243.281	KREKBPWMTVNPKQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025384
C1C(C(=O)c2c1scc2)C(=O)c1ccncc1	PC-id_86699224,SCHEMBL15311653	243.281	QFSXYSJMYYVNKQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025385
C1C(C(=O)c2c1scc2)C(=O)c1cnccc1	PC-id_86699208,SCHEMBL15312416	243.281	JQBSINSFGQOXIV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025386
O=C1C(=O)c2c(N1Cc1ccccc1)ccs2	SCHEMBL13058829,PC-id_59584024	243.281	QORIVDBFANZAFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025387
CCC(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466292	243.283	DJIBTTRMZNWHIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025388
CCS(=O)(=O)NC(=O)c1cn2c(n1)CCC2	MCULE-1818223868,ZINC22_408497011,PC-id_139014070,EMOLS-id_112098389	243.283	IDPAJSJENVNSNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025389
ON1Cc2c(C1)nc(n2C)S(=O)(=O)C1CC1	SCHEMBL17380125,PC-id_118613869	243.283	BMXYROWWNSLITL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025390
O=S(=O)(c1cnc2n1CCC2)N1CCCO1	EMOLS-id_100240189,MCULE-7849761061,ZINC22_330019590	243.283	VILGRLQHZFUDKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025391
O=S(=O)(n1nc2c(c1)CNC2)C1CCOC1	SCHEMBL18760082	243.283	UTJYLVMMLJJECA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025392
O=S(=O)(n1nc2c(c1)CNC2)[C@@H]1CCOC1	SCHEMBL18760081	243.283	UTJYLVMMLJJECA-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025393
S1Cc2c(noc2NC(=O)NCCOC)C1	PC-id_49720629	243.283	UXRQZXRIPBOIOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025394
Cc1ccc(/C=c/2sc3ncnn3c2=O)cc1	EMOLS-id_46370178,ZINC22_26966105	243.284	MTEFNPNSGOOALH-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-025395
Cc1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_390129	243.284	MTEFNPNSGOOALH-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025396
Cc1nc2n(n1)c(=Cc1ccccc1)c(=O)s2	PC-id_53864037	243.284	GYLYGAGRFSZLBJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025397
Cc1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324839659	243.284	BLPVRDYMBDOHCM-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025398
Cc1nnc2s/c(=Cc3ccccc3)/c(=O)n12	ZINC22_12668776	243.284	BGDWUPWTVLDCFY-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025399
n12nc(nc1sc(=Cc1ccccc1)c2=O)C	MCULE-2925181712	243.284	BLPVRDYMBDOHCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025400
n12ncnc1sc(=Cc1ccc(cc1)C)c2=O	MCULE-3104325045	243.284	MTEFNPNSGOOALH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025401
n12ncnc1sc(=Cc1ccccc1C)c2=O	MCULE-5580292191	243.284	CPNKXLNMYJMAGP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025402
S1c2n(nc(n2)/C=C/c2ccccc2)C(=O)C1	PC-id_82357987	243.284	MLYDXRPBAPGSDM-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025403
S1C(C(=O)n2c1nnc2)C=Cc1ccccc1	PC-id_18891872	243.284	XONHEADSRXNJSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025404
N#Cc1ccnc(n1)Nc1sc2c(n1)CCC2	PC-id_107544005	243.288	QYHGJDPAOVZSHK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025405
N#Cc1cncnc1Nc1sc2c(n1)CCC2	PC-id_112755084	243.288	JCOUJOJYICVANO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025406
s1c2CCCc2nc1Nc1nccnc1C#N	PC-id_62683508	243.288	GZRPQMUWRZZWOB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025407
s1c2CCCc2nc1Nc1ncc(nc1)C#N	PC-id_64272126	243.288	MAJUKHKEHLHYOT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025408
s1c2CCCc2nc1Nc1nnccc1C#N	PC-id_80510533	243.288	DZTFELBZLCGNGA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025409
CCC(C1CCc2n1nc(n2)C(C)(C)C)(F)F	SCHEMBL20221875,PC-id_134571267	243.296	RKRPGDLVXNHERJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025410
c1(C(=O)N(C)C)c2CSCc2nn1CCF	MCULE-2455419650,EMOLS-id_324395615	243.301	KDGMGXGPHUGADD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025411
CC1Cc2c(n(c(c2C1)O)Cc1ccccc1)O	PC-id_91403672	243.301	MBVMZRHXEZZQDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025412
C/C=CC(=C/C)C(=O)c1ccc2n1CC[C@H]2C=O	PC-id_142985189	243.301	SXSIJGXFPXYQSF-MCRAKOHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025413
C=C/C=C(/COC1CCc2c1cc([nH]2)C=O)C=C	PC-id_143725819	243.301	VAKGCXWAAPBROG-VZUCSPMQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025414
CON=S1c2c(C=C1CC(=O)O)scc2	SCHEMBL10903779,PC-id_88688731	243.303	OHBDJFFZRXDJCN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025415
CSc1sc(c2c1C(=O)N(C2)C)C(=O)O	SCHEMBL1006747,PC-id_66874562	243.303	GOXUDGJETXVUEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025416
c12CN(Cc1nn(C)c2CO)Cc1ccccc1	MCULE-5585180895,EMOLS-id_324346732	243.304	IGNCYMDYGWXKGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025417
c12CN(Cc1nn(CC)c2O)Cc1ccccc1	EMOLS-id_324338794,MCULE-9482706816	243.304	FSDIOBBWBFUDMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025418
c1(COc2cccnc2C)c2CCCc2nn1C	EMOLS-id_330475103,MCULE-1645527690,ZINC22_1849855078	243.304	KDPYZFOGZPVHJQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025419
CC1Cc2nnc(CCc3ccccc3O)n2C1	PC-id_145931621,MCULE-3973073643,EMOLS-id_323996223	243.304	NPFNSGMCWMFCAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025420
CC1(C)N(Cc2ccccc2)Cc2c(N)noc12	PC-id_83851135,EMOLS-id_330433185	243.304	HJIKNBLKSSQNDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025421
CCc1cccc(c1)OCc1nnc2n1CCC2	MCULE-2444657821,EMOLS-id_320082000	243.304	SCKHIBTVPXTCHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025422
C[C@H]1Cc2nnc(CCc3ccccc3O)n2C1	ZINC22_1857686257	243.304	NPFNSGMCWMFCAL-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-025423
C[C@@H]1Cc2nnc(CCc3ccccc3O)n2C1	ZINC22_1857686258	243.304	NPFNSGMCWMFCAL-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025424
C[C@@H]([C@H](N1Cc2c(C1)cn[nH]2)O)c1ccccc1	PC-id_141184616	243.304	PCFVBWFKILTFEB-QMTHXVAHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025425
N[C@H](c1nc2c([nH]1)COC2C)Cc1ccccc1	PC-id_107863816	243.304	NFGVXKZAQOIEFA-UMJHXOGRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025426
N[C@@H](c1nc2c([nH]1)COC2C)Cc1ccccc1	PC-id_113759044	243.304	NFGVXKZAQOIEFA-HCCKASOXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025427
o1nc2c(CN(C2)Cc2ccccc2)c1CCN	PC-id_83870630	243.304	FKKYXEIPDYPWMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025428
o1nc2CN(Cc2c1CNC)Cc1ccccc1	PC-id_83870632	243.304	HILPATZVKQAPEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025429
o1nc2C(N(Cc2c1N)Cc1ccccc1)CC	PC-id_83851136	243.304	WIMQILQSCOHRJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025430
o1nc2C(N(Cc2c1N)Cc1ccccc1)(C)C	PC-id_83851137	243.304	HEYBTSSTILUAOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025431
o1nc(c2CN(Cc12)Cc1ccccc1)CCN	PC-id_83870563	243.304	UYPIIQNDPMKBPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025432
o1nc(c2CN(Cc12)Cc1ccccc1)CNC	PC-id_83870565	243.304	CVTZCIIAKTWYNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025433
o1nc(N)c2CN(C(c12)CC)Cc1ccccc1	PC-id_83851134	243.304	ZSLDGWJKJQBNMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025434
OC1Cc2n(nc(c2C1)CN)Cc1ccccc1	PC-id_83854079	243.304	UBMGKPLVQAWOBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025435
O=c1[nH]n(c2c1C(N(C2)Cc1ccccc1)C)C	PC-id_83851141	243.304	XWUZWMDIWMOQQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025436
O=c1[nH]n(c2C(N(Cc12)Cc1ccccc1)C)C	PC-id_83851142	243.304	SVZHLSZLERDZQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025437
O=c1[nH][nH]c2C(N(Cc12)Cc1ccccc1)CC	PC-id_83851138	243.304	CIMXXLQCEKCXPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025438
O=c1[nH][nH]c2C(N(Cc12)Cc1ccccc1)(C)C	PC-id_83851139	243.304	VEIWVNLCBUVLFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025439
O=c1[nH][nH]c2C(N(Cc12)C)(Cc1ccccc1)C	PC-id_83855348	243.304	URYKYLNFMIFUDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025440
c1(sc2c(CCC2)n1)NS(=O)(=O)CC#N	MCULE-5657664136,EMOLS-id_38587418,PC-id_55207259	243.306	KMYSEORNDFIFLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025441
N#Cc1c(sc2c1CCC2)NS(=O)(=O)N	SCHEMBL2417537,EMOLS-id_50796963,PC-id_45117529	243.306	YUWVUXAYQXHJKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025442
Cc1ccc(c(n1)C)NC1CC(n2c1ncn2)C	EMOLS-id_319255570	243.308	JCMUDJLMFRVCED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025443
Cc1cc(C)nc(NCc2cnc3n2CCC3)n1	PC-id_146137871,ZINC22_719865955	243.308	VDMGLJDNTLEBNA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025444
Cc1cc(NCc2cnc3n2CCC3)nc(C)n1	PC-id_139022257,MCULE-2134231900,ZINC22_719861856,EMOLS-id_317750692	243.308	GSYQYUKQQIIYRY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025445
n12CCCc1nnc2C(NCc1cccnc1)C	PC-id_43433205	243.308	RIBRGODLLLGMER-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025446
n12CCCc1nnc2C(NCc1ccncc1)C	PC-id_43433201	243.308	QDQGUTYVXQPFCK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025447
n12CCCc1nnc2C(NCc1ncccc1)C	PC-id_43433207	243.308	YTCQRZORVYNIFW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025448
S1(=O)(=O)C(c2c(C1)coc2CCN)C(C)C	PC-id_82622257	243.323	TUQOGYVFUCATBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025449
S1(=O)(=O)Cc2c(oc(c2CCN)C(C)C)C1	PC-id_84802023	243.323	SZTZYYZREONHOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025450
S1(=O)(=O)Cc2c(oc(C(C)(C)C)c2CN)C1	PC-id_84802022	243.323	TWGYHLWQCVZNMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025451
c1(C(=O)Cc2ccccn2)cc2c(CCC2)s1	PC-id_43118483,MCULE-7353165489,EMOLS-id_37478793	243.324	HLNQPPCVIBGAKY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025452
Cc1ccc(cn1)C(=O)c1sc2c(c1)CCC2	PC-id_114971587	243.324	UFPGENARYCISFG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025453
Cc1ccncc1C(=O)c1sc2c(c1)CCC2	PC-id_115781468	243.324	MTSCJBHJIFOYIW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025454
Cc1cncc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_115791727	243.324	APHYZODGUIHOGN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025455
Nc1ccc(cc1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_40343287,PC-id_64194775	243.324	CAHQWHFGFYNOIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025456
Nc1c(C(=O)c2ccccc2)c2c(CCC2)s1	EMOLS-id_41195981,PC-id_14241840,CHEMBL302193,ZINC22_13558659,MCULE-6965440179,SCHEMBL136108	243.324	ZIOVYNKDBMOAMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025457
O=C(c1sc2c(c1)CCC2)Cc1cccnc1	PC-id_115799197	243.324	UNQOKNRIKQJAAW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025458
O=C(c1sc2c(c1)CCC2)Cc1ccncc1	EMOLS-id_41352721,PC-id_65581552	243.324	YMXCBXZLKGMAPU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025459
O=C(Nc1ccccc1)c1cc2c(s1)CCC2	EMOLS-id_16790838,ZINC22_7913900,PC-id_9038224,CoCoCo_3243326,MCULE-3846784329	243.324	ZDAAIRJNQXMTSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025460
s1c2CCC(c2nc1C(=O)c1ccccc1)C	PC-id_65046933	243.324	KVTNMGLPRSSPSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025461
s1c2c(CN(C(c3ccccc3)C)C2=O)cc1	PC-id_21796942	243.324	LWKSBXQGSDDLMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025462
s1cc2CN(C(c3ccccc3)C)C(=O)c2c1	PC-id_21796940	243.324	AFIVYCMNCFRTSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025463
[S@@](=O)(C1=Cc2n(C1)ccc2)c1ccc(cc1)C	PC-id_11128514	243.324	LWVKOTPORKDSQR-KRWDZBQOSA-N	00000011100000110000000010000000000000000000000000000000	25-01-025464
S(=O)(C1=Cc2n(C1)ccc2)c1ccc(cc1)C	PC-id_85408860	243.324	LWVKOTPORKDSQR-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-025465
S(=O)(c1cc2n(CC=C2)c1)c1ccc(cc1)C	CT-id_4022068,PC-id_73171221	243.324	VWOMYKBZMDCJDE-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-025466
[S@@](=O)(c1cn2c(c1)C=CC2)c1ccc(cc1)C	PC-id_11991261	243.324	VWOMYKBZMDCJDE-KRWDZBQOSA-N	00000011100000110000000010000000000000000000000000000000	25-01-025467
Cc1[nH]nc2c1CN(C2)S(=O)(=O)C(C)(C)C	SCHEMBL16123827,PC-id_117611720	243.326	QVMYVIPVVJYWAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025468
CC(C)C(CO)Nc1n[nH]c2c1S(=O)CC2	PC-id_89546497	243.326	UZZPNBBCZPMZQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025469
CCC(CS(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_318044345	243.326	YRGFJQLYZLNDGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025470
CCCNc1[nH]nc2c1CCC2S(=O)(=O)C	PC-id_65046454,EMOLS-id_40959476	243.326	QZQZOADIDIOWQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025471
CC(CS(=O)(=O)N1Cc2c(C1)c([nH]n2)C)C	SCHEMBL17232725,PC-id_118491696	243.326	GESVHZNLJKSQHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025472
CCn1c2CNCc2nc1S(=O)(=O)C(C)C	PC-id_118613976,SCHEMBL17380236	243.326	WFOMQKVDUHHPES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025473
CC(N1Cc2c(C1)cn(n2)S(=O)(=O)C)(C)C	SCHEMBL13562719,PC-id_70937958	243.326	DMFGKYQMQKBPGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025474
CC(Nc1[nH]nc2c1CCC2S(=O)(=O)C)C	EMOLS-id_40959484,PC-id_65046506	243.326	MCXQWRNGGRURGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025475
CCS(=O)(=O)c1nc2c(n1C(C)C)CNC2	SCHEMBL17380523,PC-id_118614258	243.326	JWDWYYGOQSAICJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025476
CCS(=O)(=O)CCn1nc2c(c1N)CCC2	PC-id_65348884,EMOLS-id_41192231	243.326	WNHVWVKDXOGCAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025477
CCS(=O)(=O)N1Cc2c(C1)[nH]nc2C(C)C	SCHEMBL17229677,PC-id_118489211	243.326	ZHENUBQSEUNRLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025478
CCS(=O)(=O)n1nc2c(c1)CN(C2)C(C)C	PC-id_67986555,SCHEMBL9963137	243.326	LOZCEBVBSQSWGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025479
Cn1nc(c2c1CN(C2)S(=O)(=O)C)C(C)C	SCHEMBL17229812,PC-id_118489331	243.326	INIHLSSXRCBSPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025480
NCc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_105504526	243.326	ACKXPMFNZQSJFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025481
NCc1n(CC(C)C)nc2c1CS(=O)(=O)C2	PC-id_105504527	243.326	CKFFOCNCIKBEQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025482
NCc1nn(c2c1CS(=O)(=O)C2)C(C)(C)C	PC-id_105504515	243.326	JIXFTPBDZXGZBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025483
NCc1nn(c2c1CS(=O)(=O)C2)CC(C)C	PC-id_105504516	243.326	XGJDKCMAWDCOLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025484
OC[C@@H](C(C)C)Nc1n[nH]c2c1S(=O)CC2	SCHEMBL14923136	243.326	UZZPNBBCZPMZQC-UOCSPZAXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025485
CC/C=C(/CC1CCc2c1cc([nH]2)C=O)C=C/C	PC-id_143725834	243.344	XZBBBVQZAODENS-YXMBOXQASA-N	00000010100000000000000010000000000000000000000000000000	25-01-025486
CCC1CCc2c1nc(s2)SCC(=O)O	PC-id_116177103	243.346	FKNZEWDEFGNQBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025487
CCOC(=O)c1c(N)sc2c1C(C)SC2	PC-id_59379495,SCHEMBL8208272	243.346	BKUCHNUSYWIHIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025488
CCOC(=O)C1Nc2c(C1)sc(c2)SC	PC-id_70160937,SCHEMBL7680359	243.346	LKZJCPXZIUWGRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025489
CCSCc1nc2c(s1)CCC2C(=O)O	PC-id_104287252,EMOLS-id_313669871	243.346	DAYXNSPGQYHZBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025490
OC(=O)CSc1sc2c(n1)C(CC2)(C)C	PC-id_79863171,EMOLS-id_42571603	243.346	WXLBLMGVISZRQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025491
S1Cc2c(sc(c2)C(=O)NCCOC)C1	PC-id_4057149	243.346	AWRGIPAIIOVOJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025492
S1(=O)(=O)C(CCCC=C)c2scnc2C1	PC-id_15655021	243.346	JCCGMSNEVNDNNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025493
S1(=O)(=O)N=C(C(C)(C)C)c2c1sc(c2)C	PC-id_21048579	243.346	JDNXBNHNRYVVKY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-025494
S1(=O)(=O)N=C(C(C)(C)C)c2sc(cc12)C	PC-id_21048580	243.346	HVLLQDZMKRWSPL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-025495
CC(C1CCCC1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002295,MCULE-4045892477	243.347	LPLABHYBFFZQPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025496
c1ccc(cc1)CNCc1sc2c(c1)CCC2	PC-id_54888916,EMOLS-id_37994202	243.367	GTOBCEKRMJSSDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025497
Cc1ccccc1C(c1sc2c(c1)CCC2)N	PC-id_113660728	243.367	MQELMCCIFMTJCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025498
Cc1cccc(c1)C(c1sc2c(c1)CCC2)N	PC-id_115789865	243.367	APORTHDBRPAGIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025499
CN=CC1=C(Cc2c1sc(c2C)C)C(=C=C)C	PC-id_142530618	243.367	QULBWJRXAPUTIB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025500
s1c2c(CCC2)cc1C(N)c1ccc(cc1)C	PC-id_43463982	243.367	GZDTUIYGPDLKCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025501
s1c2c(CCC2)cc1C(NC)c1ccccc1	PC-id_43481487	243.367	ANNUBKHEPUVVOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025502
s1c2c(CCC2)cc1C(N)Cc1ccccc1	PC-id_61078452	243.367	FFINZQXXHPTGRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025503
ClC1CC(O)c2c1c(Cl)sc2Cl	PC-id_78180324	243.538	KEWSPFNPIRCKQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025504
Cl[C@H]1C[C@@H](c2c1c(Cl)sc2Cl)O	CoCoCo_5771137	243.538	KEWSPFNPIRCKQG-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025505
Cl[C@@H]1C[C@H](c2c1c(Cl)sc2Cl)O	CoCoCo_5771138	243.538	KEWSPFNPIRCKQG-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025506
Cl[C@H]1C[C@H](c2c1c(Cl)sc2Cl)O	NSC704548,CoCoCo_5771135,PC-id_397147	243.538	KEWSPFNPIRCKQG-STHAYSLISA-N	00000010100000000000000010000000000000000000000000000000	25-01-025507
Cl[C@@H]1C[C@@H](c2c1c(Cl)sc2Cl)O	PC-id_102378760,CoCoCo_5771136	243.538	KEWSPFNPIRCKQG-GBXIJSLDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025508
COC(=O)c1c2CCCn2c(c1Cl)C(=O)O	SCHEMBL21378269,PC-id_139507408	243.644	PDVISANFORGGDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025509
Clc1n(cc2C(O)(CCc12)C(=O)O)C(C)C	PC-id_83912794	243.687	PXTQLROVBMFDGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025510
Clc1oc2CN(Cc2c1)C(=O)OC(C)(C)C	PC-id_84704112	243.687	LEMJZQSONHVDTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025511
Clc1c(/C=C/2Cn3c(C2=O)ccc3)cccc1	PC-id_24777976	243.688	GGTZZHATIZTOFR-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025512
Clc1cc(C=C2Cn3c(C2=O)ccc3)ccc1	EMOLS-id_29649570,PC-id_72056533,MCULE-1206722489	243.688	QUYRLBQMPSYVES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025513
Clc1cccc(c1)/C=C
/Cn2c(C1=O)ccc2	CoCoCo_4612563	243.688	QUYRLBQMPSYVES-XFFZJAGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025514
Clc1ccc(cc1)C=C1Cn2c(C1=O)ccc2	EMOLS-id_26233097,PC-id_72057149,MCULE-7161683715	243.688	RXKOKUJPICTVAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025515
Clc1ccc(cc1)/C=C/1Cn2c(C1=O)ccc2	PC-id_25594567,CoCoCo_4588814	243.688	RXKOKUJPICTVAM-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025516
O=C1/C(=C/c2cccc(Cl)c2)/Cn2cccc12	ZINC22_40040698,CoCoCo_4612562,PC-id_45866509	243.688	QUYRLBQMPSYVES-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025517
O=C1/C(=Cc2ccc(Cl)cc2)/Cn2cccc12	ZINC22_96941979,CoCoCo_4588815,PC-id_97743872	243.688	RXKOKUJPICTVAM-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025518
CC(C)(C)OC(=O)N1Cc2[nH]nc(Cl)c2C1	PC-id_121231994,MCULE-4188312749,EMOLS-id_92489852	243.69	RMXAJJXUYSBAFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025519
CC(C)(C)OC(=O)N1CCn2ncc(Cl)c12	EMOLS-id_323992721,MCULE-1843600763	243.69	WHGFXYLBOMXXAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025520
Clc1sc2C(=O)N(C(C)(C)C)C(=O)c2c1	PC-id_15022432	243.71	BYTZGSJOMYGJDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025521
c1(C(=O)NCCCCl)cc2c(CCC2)s1	PC-id_43082520,EMOLS-id_37244404,MCULE-1232819433	243.753	QQWOLESTHRJOCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025522
CC(CNC(=O)c1sc2c(c1)CCC2)Cl	EMOLS-id_107826635,PC-id_114296354	243.753	DQWAHFIZNQNCLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025523
CC(C(=O)NCc1sc2c(c1)CCC2)Cl	EMOLS-id_38138739,PC-id_61208180	243.753	YMFCQPCRYOSKHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025524
Clc1sc2c(C(NC3CC(O)C3)CC2)c1	PC-id_81252083	243.753	IDFBIMZIBGNYLJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-025525
Clc1sc2c(C(NC3CCOC3)CC2)c1	PC-id_81252927	243.753	KCDCRJAOUIDCOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025526
Clc1sc2C(=O)C(Cc2c1)(CN(C)C)C	PC-id_417775	243.753	IIILQVNRZWMLHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025527
ClCCCC(=O)Nc1sc2CCCc2c1	PC-id_82109683	243.753	BNIYCHLVABIJQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025528
ClCCN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_39812391,PC-id_63395051	243.753	ZMYIHZNZGIYNEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025529
ClCC(NC(=O)c1sc2c(c1)CCC2)C	PC-id_114299459,EMOLS-id_107524327	243.753	VJBLOGOMCGSZGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025530
CN(C)C[C@]1(C)Cc2cc(Cl)sc2C1=O	ZINC22_1615689,CoCoCo_5411691,PC-id_92151526	243.753	IIILQVNRZWMLHM-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-025531
CN(C)C[C@@]1(C)Cc2cc(Cl)sc2C1=O	ZINC22_4934684,PC-id_92242173,CoCoCo_5411690	243.753	IIILQVNRZWMLHM-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025532
s1c(CNC(=O)CCCl)cc2CCCc12	EMOLS-id_38138741,MCULE-3250233857,PC-id_61208181	243.753	GVBKQBDRTKBMSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025533
Clc1scc2c1C[N@H+](C2)CC1=[NH+]CCN1	GLL_PC-id_18947033	243.756	XNCIFOYCLJHJBM-UHFFFAOYSA-P	00000011100000000001000010000000000000000000000000000000	25-01-025534
CCCCCNC1CCc2c1cc(s2)Cl	EMOLS-id_314268890,PC-id_81251490	243.796	RAFHZHHJRKMJFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025535
CC(CCNC1CCc2c1cc(s2)Cl)C	EMOLS-id_313532571,PC-id_81251707	243.796	BOKYLYDNAPYVGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025536
CC(CNC1CCc2c1cc(s2)Cl)(C)C	EMOLS-id_313541577,PC-id_81252592	243.796	YSKLICJNLQOBKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025537
CCC(NC1CCc2c1cc(s2)Cl)CC	EMOLS-id_313687371,PC-id_81252462	243.796	KZBFIFYCOQWUHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025538
Clc1sc2c(C(NC(CCC)C)CC2)c1	PC-id_81251820	243.796	QLLQKNCOUIQGQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025539
Clc1sc2c(C(NC(C(C)C)C)CC2)c1	PC-id_81252576	243.796	AGGORJVFKNKYGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025540
Clc1sc2c(C(NCC(CC)C)CC2)c1	PC-id_81252599	243.796	NZBBFLPGRAUUIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025541
C1C2=CN(N=C2CN1C(=O)CCO)S(=O)[O-]	PC-id_164872083	244.04	JGQWQIVTTBWSNG-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-025542
CCS(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[O-]	PC-id_154030783	244.04	HTKFKJJHZZIUTF-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-025543
Brc1oc2c(N(CC2=O)C(=O)C)c1	PC-id_82386055	244.042	UNYBZPUXYYHPOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025544
Brc1n(c2c(n1)C(=O)N(C2=O)C)C	PC-id_83669591	244.045	INVGDCBRSCQUGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025545
Brc1c2CC(Cc2[nH]c1C(=O)O)C	PC-id_70287417,SCHEMBL8145099	244.085	MXODBNGWMIVRLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025546
Brc1c2C(CCc2[nH]c1C(=O)O)C	PC-id_70289152,SCHEMBL8151481	244.085	AZTYGEKOMLHIOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025547
Brc1c2C[C@H](Cc2[nH]c1C(=O)O)C	PC-id_57659880,SCHEMBL12777401	244.085	MXODBNGWMIVRLY-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025548
Brc1c2[C@H](CCc2[nH]c1C(=O)O)C	SCHEMBL12777404,PC-id_57659811	244.085	AZTYGEKOMLHIOL-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025549
Brc1c2c([nH]c1C(=O)O)C(CC2)C	SCHEMBL8159290,PC-id_70291061	244.085	UANQTWXYGHHFMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025550
Brc1c2c([nH]c1C(=O)O)[C@@H](CC2)C	SCHEMBL12777413,PC-id_57659842	244.085	UANQTWXYGHHFMZ-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025551
Brc1c2n(CC(C2)C(=O)O)cc1C	PC-id_70489425,SCHEMBL11001145	244.085	AMBNQFWFAKBZHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025552
Brc1cc2n(CCC2C(=O)OC)c1	SCHEMBL10814815,PC-id_12795079	244.085	CEBMKDARIQXMNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025553
Brc1n(c(c2c1CCC2)C(=O)O)C	PC-id_84018539	244.085	QBEBNHYJXKATEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025554
Brc1n(cc2C(CCc12)C(=O)O)C	PC-id_83912812	244.085	CCFOICPKSCELEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025555
Brc1[nH]cc2C(CCc12)CC(=O)O	PC-id_83912811	244.085	ICNQFQQRMSPLSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025556
c1(C(=O)OC)cc(n2CCCc12)Br	PC-id_84048966,MCULE-8437625496,EMOLS-id_107189089	244.085	MMEPPLDRNLHJHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025557
BrCCC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_107731704,MCULE-9637830096	244.088	IYZMOJQOMVMHKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025558
CC(C(=O)N1Cc2c(C1)cn[nH]2)Br	MCULE-9064617281,EMOLS-id_96760488	244.088	AAOYTMGYOSERQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025559
CC(N1Cn2c(C1=O)ncc2Br)C	PC-id_140263647	244.088	APVAFVDMOYXALO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025560
BrCCN1Cc2c(C1=O)nn(c2)C	PC-id_121605772	244.089	YIZCQTCKDIPXOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025561
c1(C(=O)CN)nc2n(CCC2)c1Br	MCULE-3507887451	244.089	HICXFZSMJYBZGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025562
CCCN1Cn2c(C1=O)ncc2Br	PC-id_140263731	244.089	WDMFXQUYNSGULD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025563
Brc1c2CN(Cc2oc1C(C)C)C	PC-id_84802428	244.128	HSPYFYKZXLOZEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025564
Brc1c([nH]c2c1COC2)C(C)(C)C	PC-id_84802429	244.128	BQSZCEMJWHWFEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025565
Brc1c(oc2c1CNC2)C(C)(C)C	PC-id_84802427	244.128	NNMCAANAXZHDJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025566
BrCc1noc2c1C(C)(C)CC2C	PC-id_106664551,EMOLS-id_96721538	244.128	DMYTTWGMTLIWCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025567
Brc1c2CNCc2nn1C(C)(C)C	PC-id_105504791	244.132	GLNAMITUJCLDNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025568
Brc1n(nc2c1C(CC2)CCN)C	PC-id_83912827	244.132	KXVWVEDHCWWDQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025569
Brc1nn(c2c1C(CC2)CCN)C	PC-id_83912828	244.132	HMXDRRXTPWAKAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025570
Brc1n(nc2c1C(CC2)CNC)C	PC-id_83912831	244.132	OJDRQQIHEOEMMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025571
Brc1nn(c2c1C(CC2)CNC)C	PC-id_83912832	244.132	AEGWNAJKZXCOBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025572
Brc1nn(c2c1CNC2)C(C)(C)C	PC-id_105504782	244.132	ATVGCOYLBOWDPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025573
CC(C)Cn1nc2CNCc2c1Br	MCULE-7575011447,PC-id_105504793,EMOLS-id_324339307	244.132	JUUDNPRTCYFSAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025574
CC(Cn1nc(c2c1CNC2)Br)C	PC-id_105504784	244.132	HIZDRMZDCRBGTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025575
CN1Cc2c(C1)c(n(n2)C(C)C)Br	PC-id_105504792	244.132	AJUVXNYIXYFXMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025576
CN1Cc2c(C1)n(nc2Br)C(C)C	PC-id_105504783	244.132	UQPPXJHEEOZFAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025577
CC1=NC(=NC=C1)NC2=NN(C3=C2CN(C3)C)C	PC-id_153963278	244.144	ABHVPBZETSSTIN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025578
c12CN(Cc1nn(CC)c2C#N)CC(F)(F)F	EMOLS-id_324355432,MCULE-6459882863	244.216	ZSMIRQLOESMPIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025579
CCOC(=O)c1sc(c2c1OCO2)C(=O)O	SCHEMBL8539138,PC-id_12197940	244.221	FFWXPBMXIMUEED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025580
c1(C(=O)OC)c2C(C)CCc2n(CC(F)F)n1	MCULE-1553831696,EMOLS-id_330995441	244.238	HWPPCUIPCKJHJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025581
COC(=O)c1c2C(C)CCc2nn1CC(F)F	EMOLS-id_330978482,MCULE-9343474415	244.238	VZBUUUYBWGYDHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025582
CCN(C(=O)C1NCc2c1c[nH]n2)CC(F)F	EMOLS-id_318876414	244.241	BAEMQZSLYACPLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025583
O1Cc2n(C(c3ccccc3)C)c(=O)[nH]c2C1=O	PC-id_14460948	244.246	OSCGCCPLLRFTPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025584
O1Cc2n([C@@H](c3ccccc3)C)c(=O)[nH]c2C1=O	PC-id_10857710,SCHEMBL8834645	244.246	OSCGCCPLLRFTPP-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025585
O1Cc2n([C@H](c3ccccc3)C)c(=O)[nH]c2C1=O	PC-id_14460949,SCHEMBL9667751	244.246	OSCGCCPLLRFTPP-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025586
o1nc2CN(Cc2c1C(=O)O)Cc1ccccc1	PC-id_83870628	244.246	FXKAWEQPDWJGIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025587
o1nc(c2CN(Cc12)Cc1ccccc1)C(=O)O	PC-id_83870562	244.246	IDGBVMRJHJUIQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025588
OC(=O)C1CCn2c1ccc2C(=O)c1ccc[nH]1	SCHEMBL10844150,PC-id_20228251	244.246	XCIRJBKDVDPXGL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-025589
OC(=O)C1Cn2c(C1)ccc2C(=O)c1ccc[nH]1	SCHEMBL10968794,PC-id_70483245	244.246	HKTXEYJIAMOYKW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-025590
OC(=O)c1noc2c1CCN2Cc1ccccc1	PC-id_97775690	244.246	JKMFIXRZFRSARP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025591
O=C(O[C@@H]1CCn2c1ncc2)Oc1ccccc1	SCHEMBL19220305	244.246	JSWNEEKRBXMNRT-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025592
c1(C(=O)NN=Cc2ccco2)c2CCCc2[nH]n1	MCULE-7369798460,PC-id_5400312	244.249	IIJQKYNJARLBTP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025593
Cn1ncc2c1CN(C(=O)c1ccc(O)cn1)C2	ZINC22_1569379178	244.249	QTVODKGOODIGPC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025594
COc1ccc(cc1)C(=O)c1c2NCCn2nn1	PC-id_136199867,CHEMBL1221796	244.249	YFJCQCSQXWBGRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025595
COc1cccnc1C(=O)N1CCn2c1ncc2	EMOLS-id_320118217,MCULE-1650414127	244.249	XVOUHJOCZCZLEN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025596
Oc1ccc(nc1)CC(=O)N1Cc2c(C1)cn[nH]2	MCULE-2049868507,EMOLS-id_320069267	244.249	HLTPPHHLCPXPKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025597
Oc1ccc(nc1)CC(=O)N1CCn2c1ccn2	MCULE-7926814640,EMOLS-id_320125998	244.249	BZOZYERLMORPOK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025598
O=C1Nc2n(c(c(c2C(=O)n2ccnc2)C)C)C1	PC-id_13809993	244.249	BEEBEGJGZIQUQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025599
O=C(c1[nH]nc2c1CCC2)N/N=Cc1ccco1	CoCoCo_627172,SPECS-id_AT-225/NB33019,CoCoCo_627170	244.249	IIJQKYNJARLBTP-QPEQYQDCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025600
O=C(N1CCn2c1ncc2)c1cnc(o1)C1CC1	EMOLS-id_278170081	244.249	LTBGPRMGZAANBC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-025601
O=C(N/N=C/c1ccco1)c1n[nH]c2CCCc12	EMOLS-id_640676,PC-id_5332403,CoCoCo_627171,TIMTEC215585,CoCoCo_627169	244.249	IIJQKYNJARLBTP-NTUHNPAUSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025602
S1CCn2c1npc2C(=O)OCCCC	PC-id_15685235	244.25	ZBZMEUQLWUQMOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025603
c1ccc(cc1)C(=O)NC1NNc2cc(nn12)N	PC-id_137092702	244.253	QSWKDUPPBDBAIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025604
C1Cn2c(c(c(=O)n2C1)N=Nc1ccccn1)N	SCHEMBL3399950,PC-id_136155053	244.253	MKXQCUHNAWUWNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025605
C1Cn2c(c(c(=O)n2C1)N=Nc1ccncc1)N	SCHEMBL3405018,PC-id_136155050	244.253	NIYXUSHTWSPJDC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025606
C1Cn2c(c(c(=O)n2C1)N=Nc1cnccc1)N	SCHEMBL2517067,PC-id_136155034	244.253	AMRRIUYNYYSDRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025607
N=C1C=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C=N1	SCHEMBL3855069	244.253	HEQVOBHWPICKFU-NKLGZUPOSA-N	00000010100011000001000010000000000000000000000000000000	25-01-025608
Nc1n2CCCn2c(=O)c1/N=N/c1ccccn1	SCHEMBL3399945	244.253	MKXQCUHNAWUWNS-CCEZHUSRSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025609
Nc1n2CCCn2c(=O)c1/N=N/c1cccnc1	SCHEMBL2517062	244.253	AMRRIUYNYYSDRY-CCEZHUSRSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025610
Nc1n2CCCn2c(=O)c1/N=N/c1ccncc1	SCHEMBL3405016	244.253	NIYXUSHTWSPJDC-CCEZHUSRSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025611
O=C(N1CCn2c1ncc2)Nc1cnc(cn1)C	EMOLS-id_319501525	244.253	JNTNCUMGHDFUHJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025612
O=C(NCc1nnc2n1CCC2)c1cnccn1	EMOLS-id_35693003,MCULE-6976622995,PC-id_53515809,ZINC22_42648713	244.253	LGIKTKUHNOZPCK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025613
n1(ncc2N=NC(=NNc3c(n(nc3)C)C)c12)C	PC-id_10562242	244.256	CZYBIZWQZFGIRI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-025614
Fc1ccc(cc1)NCc1ccc2n1CCC2=O	TIMTEC52111,PC-id_23907661	244.264	AEOHLQWVYSPVJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025615
S1(=O)(=O)Cc2c(oc(c2C(=O)O)C(C)C)C1	PC-id_84802586	244.264	USSNRCIMPFBTNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025616
S1(=O)(=O)C(C(C)C)c2c(C1)coc2C(=O)O	PC-id_84018559	244.264	SIACVPHBKKIQAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025617
CC(n1nc2c(c1C(=O)O)CS(=O)(=O)C2)C	PC-id_105505021	244.268	WQKWMSIMTBFKTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025618
CC(n1nc(c2c1CS(=O)(=O)C2)C(=O)O)C	PC-id_105505017	244.268	ALLRNSWNSBZRGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025619
CS(N=C1CCc2c1cc([nH]2)C(=O)O)(O)O	PC-id_137098357	244.268	UXTSLTNPRUUNSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025620
CS(N=C1CCc2c1[nH]c(c2)C(=O)O)(O)O	PC-id_137140002	244.268	MPULZNDMLPLNJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025621
OC(=O)c1cc2c([nH]1)C(CC2)NS(=O)(=O)C	PC-id_68402491,SCHEMBL12844765	244.268	GMJSRCRSXHDXGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025622
OC(=O)c1cc2c([nH]1)CCC2NS(=O)(=O)C	SCHEMBL12844475,PC-id_68402314	244.268	WOIRDPUTELFMQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025623
OC(=O)c1cc2c([nH]1)CC[C@@H]2NS(=O)(=O)C	PC-id_57659867,SCHEMBL12777473	244.268	WOIRDPUTELFMQE-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025624
OC(=O)c1cc2c([nH]1)[C@@H](CC2)NS(=O)(=O)C	SCHEMBL12777453,PC-id_57659850	244.268	GMJSRCRSXHDXGD-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025625
OC(=O)c1[nH]c2c(c1)CC(C2)NS(=O)(=O)C	PC-id_70292852,SCHEMBL8167687	244.268	NQJJFIKVICZVAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025626
OC(=O)c1[nH]c2c(c1)C[C@H](C2)NS(=O)(=O)C	SCHEMBL12777463,PC-id_57659899	244.268	NQJJFIKVICZVAO-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025627
[O-][N+](=O)c1cn2c(c1CS(=O)(=O)C)CCC2	PC-id_102139682	244.268	AHWIPCIRFNBXBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025628
OC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C=N2	PC-id_141046345	244.269	UNQBEQJXYFIPAS-UHFFFAOYSA-N	00000011110000000000000010000000000000000000000000000000	25-01-025629
CC(CNS(=O)(=O)n1cc2c(n1)CN=C2)O	PC-id_141414363	244.271	LAIFHJPZJVWDQK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-025630
CC(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68440238,SCHEMBL2917211	244.271	NCGJBSBHWGHEQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025631
CN1Cc2c(C1)n(nc2C(=O)N)S(=O)(=O)C	PC-id_141411269	244.271	MGOXJENVDWGYTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025632
CNC(=O)[C@@H]1NCc2c1cnn2S(=O)(=O)C	PC-id_141411241	244.271	WFNWGRZTHJRVPU-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025633
n12nc(nc1sc(=Cc1cccnc1)c2=O)C	MCULE-2278011865	244.272	GJBCVMVSCYBSCV-UHFFFAOYSA-N	00000000100000101001000010000000000000000000000000000000	25-01-025634
n12ncnc1sc(=CNc1ccccc1)c2=O	MCULE-7715406454	244.272	OPLIWBQCEORMFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025635
O=c1/c(=C/Nc2ccccc2)/sc2ncnn12	ZINC22_256055653,PC-id_117588256	244.272	OPLIWBQCEORMFT-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-025636
S1(=O)(=O)C(=Cc2sc(cc12)C(=O)O)CC	PC-id_21784704	244.287	BVRPZPPPYUZEBP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025637
CC(c1n[nH]c2CCCc12)c1ccc(O)c(O)c1	EMOLS-id_337934614	244.289	YRDRBOOSXWMOPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025638
C#CCC(C1CC1)OC(=O)c1n[nH]c2c1CCC2	PC-id_71861102,MCULE-2501618641,EMOLS-id_43665258	244.289	BGZLAQNAOVHUHH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025639
C/C=CC=C/C(=C)[C@H]1CCn2c1c(cn2)C(=O)O	PC-id_138548744,SCHEMBL20904023	244.289	LDZSSGBTTQPZNH-IAWQTWABSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025640
C#CC[C@H](OC(=O)c1n[nH]c2c1CCC2)C1CC1	PC-id_96529908,ZINC22_79024003	244.289	BGZLAQNAOVHUHH-LBPRGKRZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025641
C#CC[C@@H](OC(=O)c1n[nH]c2c1CCC2)C1CC1	PC-id_96529909,ZINC22_79024008	244.289	BGZLAQNAOVHUHH-GFCCVEGCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025642
Cn1c(c2CN(Cc2c1O)Cc1ccccc1)O	PC-id_91036006	244.289	BFZYJMMMSSADNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025643
o1[nH]c2C(N(Cc2c1=O)Cc1ccccc1)CC	PC-id_83851162	244.289	XIXFRJISOQNJHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025644
o1[nH]c2C(N(Cc2c1=O)Cc1ccccc1)(C)C	PC-id_83851163	244.289	UUKLFMGHXLAMOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025645
Oc1n(c(O)c2N(CCc12)C)Cc1ccccc1	PC-id_54141874	244.289	OBQWMCYKKGJPFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025646
c1(N(=O)=O)c2CSCc2sc1C(=O)NC	MCULE-8236457976,EMOLS-id_330874692	244.291	JTBFIWBJXDLYDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025647
c1ccc(cc1)CONCc1nnc2n1CCC2	EMOLS-id_315207049	244.292	QPYSWXJEQAMHRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025648
c1(C(N)Cc2ccc(cc2)O)nnc2CCCn12	MCULE-2479479604,PC-id_43142794	244.292	VNIBPAJRUKZHON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025649
c1(C(=O)NCc2cccn2C)c2CCCc2[nH]n1	MCULE-2353728925,EMOLS-id_323259057	244.292	DQDVQLONHZPPDI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025650
c1(C(=O)NCCn2cccc2)c2CCCc2n[nH]1	EMOLS-id_104693209,MCULE-3662808609,STOCK7S-63437,SPECS-id_AO-022/43514809,ZINC22_267152137,PC-id_121239785,EMOLS-id_93422881	244.292	FADNJNHKGHDWOJ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025651
Cc1cc(C)n(c(=O)n1)Cc1nn2c(c1)CCC2	EMOLS-id_316542757	244.292	QRBQXHMENMJMCQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025652
CCc1cn(ccc1=O)Cc1nnc2n1CCC2	EMOLS-id_319339068	244.292	CNAVYCCGMVOFCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025653
CCCc1c(CC)cc2n1C(=C(C2=NO)C#N)N	PC-id_102397817	244.292	SGPQAMDQEUKAGU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025654
CCCc1[nH]ccc1C(=O)N1Cc2c[nH]nc2C1	ZINC22_615129231,EMOLS-id_324035441,MCULE-2458130993,PC-id_146107661	244.292	QZDJQJODCBGALW-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025655
Cn1cccc1C(=O)NCc1cc2n(n1)CCC2	ZINC22_585131356,EMOLS-id_177313862,MCULE-3064904900	244.292	SPQHGWFPKUNFIG-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025656
Cn1ccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319729953	244.292	FQGBEWOONLDYDD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025657
COCc1n[nH]c2c1CN(C2)Cc1ccccn1	CHEMBL3553799,PC-id_97406003	244.292	VFDBOVBWURBVHV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025658
N#CC1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319132233	244.292	DNQFSHDPKQHORW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-025659
N#CC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110906991	244.292	CAJOJVJZIWTKHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-025660
O=C(c1cccn1C)NCc1cnc2n1CCC2	EMOLS-id_318932631	244.292	CIKKTYXBJBBWLM-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025661
O=C(c1c[nH]cc1C)NCc1cnc2n1CCC2	EMOLS-id_320182654,MCULE-9693180357	244.292	ZDLVOKSRLJVQEX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025662
O=C(c1[nH]c2c(c1)CCC2)NCc1[nH]ncc1C	EMOLS-id_319246528	244.292	NEIFIRVGJFOEPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025663
O=C(c1[nH]ccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319044861	244.292	UTTAKJBESBEYHZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025664
O=C(N1CCn2c1ncc2)c1cc[nH]c1C(C)C	EMOLS-id_279043825	244.292	CLXXKSTYDCBKFZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025665
c1(C(C)NCc2ccncn2)nnc2CCCn12	MCULE-1797216048,PC-id_62748543	244.296	PHVSTXRSEXYQIY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025666
Cc1nnc(NCc2cnc3n2CCC3)nc1C	ZINC22_719865934,PC-id_146137872	244.296	UTZDOHMIDHCUSG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025667
n12CCCc1nnc2C(NCc1cncnc1)C	PC-id_62758604	244.296	ICBFLCIXVVPRMG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025668
n12CCCc1nnc2C(NCc1nccnc1)C	PC-id_62762525	244.296	RDPIBHXOFAOBHE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025669
c12C(C)CCc1nn(Cc1ccc(cc1C)F)c2	EMOLS-id_331000740,MCULE-5014036395	244.307	GSRVAKBXNXYXHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025670
c12C(C)CCc1nn(Cc1ccc(cc1F)C)c2	EMOLS-id_331000228,MCULE-1188553745	244.307	GPTWNBQSUVKPKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025671
c12C(C)CCc1nn(Cc1cccc(C)c1F)c2	EMOLS-id_330998693,MCULE-3382124713	244.307	SSSXOKFICKNHOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025672
c12C(C)CCc1nn(Cc1ccc(c(C)c1)F)c2	EMOLS-id_331000484,MCULE-5936120078	244.307	VMEOEXNUWWCAGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025673
c12C(C)CCc1nn(Cc1cc(C)ccc1F)c2	MCULE-1125039680,EMOLS-id_330998437	244.307	UCMULXRZBHIKEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025674
c12C(C)CCc1nn(Cc1cccc(F)c1C)c2	EMOLS-id_331000997,MCULE-6499011008	244.307	AARBPXVJRYQJRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025675
c12C(C)CCc1nn(Cc1ccc(c(F)c1)C)c2	MCULE-6996461495,EMOLS-id_330999972	244.307	MUJMPKKEWDTVKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025676
c12C(C)CCc1nn(Cc1cc(F)ccc1C)c2	MCULE-7981483052,EMOLS-id_331001253	244.307	NFRSDFWELURDQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025677
CC1CCc2c1cnn2Cc1cc(C)ccc1F	EMOLS-id_331016679,MCULE-9162101039	244.307	CBIYXHSXFJCBIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025678
CC1CCc2c1cnn2Cc1ccc(C)cc1F	MCULE-3535032824,EMOLS-id_331014375	244.307	TWBOBRPTEWXCMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025679
CC1CCc2c1cnn2Cc1cccc(C)c1F	MCULE-9574605487,EMOLS-id_331016935	244.307	HZWKPSJRQZAJQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025680
CC1CCc2c1cnn2Cc1ccc(C)c(F)c1	EMOLS-id_331018214,MCULE-6416626652	244.307	HPVQWKKTUZRIIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025681
CC1CCc2c1cnn2Cc1cccc(F)c1C	MCULE-5559906800,EMOLS-id_331015144	244.307	PXXSKRHUKMGNJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025682
CC1CCc2c1cnn2Cc1ccc(F)cc1C	EMOLS-id_331014887,MCULE-2117898097	244.307	GLKLPBAMWWPQSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025683
CC1CCc2c1cnn2Cc1ccc(F)c(C)c1	MCULE-7963389821,EMOLS-id_331014631	244.307	MMCREBJRTJVNEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025684
CC1CCc2c1cnn2Cc1cc(F)ccc1C	EMOLS-id_331015400,MCULE-2938311021	244.307	YKMOQQPSAUDLPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025685
CC(c1cc2c(o1)C(S(=O)(=O)O2)C(C)C)C	SCHEMBL20872151,PC-id_138519955	244.307	LTJYOKUUXZCJGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025686
CC(c1ccccc1F)n1cc2C(C)CCc2n1	EMOLS-id_331005601,MCULE-6874202948	244.307	XZLVEWKXMVMVEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025687
CC(c1ccc(F)cc1)n1cc2C(C)CCc2n1	EMOLS-id_331000751,MCULE-2001572423	244.307	UOBHRNJAYSRCSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025688
CC(C)(c1n[nH]c2CCCc12)c1ccccc1F	EMOLS-id_337932565	244.307	KYHGSXVEBVTYML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025689
CC(C)(c1n[nH]c2CCCc12)c1cccc(F)c1	EMOLS-id_337934869	244.307	XLFNZFPYZBOXEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025690
CC(C)(c1n[nH]c2CCCc12)c1ccc(F)cc1	EMOLS-id_337933078	244.307	SWIYNGGOUXIACQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025691
CCS(=O)(=O)CCn1nc2c(c1O)CCC2	EMOLS-id_259934188	244.311	VMFVFFPCHZPDHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025692
S(=O)(=O)(CCn1[nH]c2c(CCC2)c1=O)CC	PC-id_66021119	244.311	ZZUPHXVAYYLWLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025693
c1(snc2CCCc12)NC(=O)c1ccccc1	MCULE-5756293373,PC-id_54774425	244.312	QJHITXJIERKTDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025694
Cc1c(sc2c1C(=Cc1ccc[nH]1)C(=O)N2)C	PC-id_91024248	244.312	YALBRYLMSIZSGN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-025695
Nc1c(C(=O)c2ccncc2)c2c(CCC2)s1	ZINC22_95882077,PC-id_75454363,EMOLS-id_48597441,MCULE-7730897817	244.312	UFWQOIUSHXQVKK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025696
Nc1c(C(=O)c2cnccc2)c2c(CCC2)s1	ZINC22_95882076,MCULE-6215344962,EMOLS-id_48597439,PC-id_75454362	244.312	VDVWIZPBTMVTDY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025697
Nc1c(C(=O)c2ncccc2)c2c(CCC2)s1	PC-id_9813589,SCHEMBL6878028,EMOLS-id_48597437,ZINC22_33966882,MCULE-4403688550	244.312	FDXVPEXNMYDNHP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025698
O=C(c1ccccc1)Nc1sc2c(CCC2)n1	PC-id_5140427,MCULE-7183639408,ZINC22_6595472,EMOLS-id_21277088,CoCoCo_4164022	244.312	HYSSQXWOGJSEOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025699
O=C(Nc1cccnc1)c1cc2c(s1)CCC2	MCULE-2673286838,CoCoCo_4090999,ZINC22_24332476,EMOLS-id_43960721,PC-id_31745632	244.312	RINDLFGQKZSKCG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025700
O=C(Nc1ccncc1)c1cc2c(s1)CCC2	EMOLS-id_31846600,CK1290174,MCULE-9111908470,ZINC22_13284474,PC-id_2348905	244.312	XNIFZSKEOIBNNS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025701
s1c2CCCc2cc1C(=O)Nc1ncccc1	PC-id_31821736	244.312	DFRSZBZXRPKBIV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025702
s1c2CCCc2c(c1NC(=O)CCC#C)C#N	PC-id_82363218	244.312	DGTNLXDOIDXIRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025703
S1CCn2c(cnc12)C(=O)c1ccc(cc1)C	PC-id_15507265	244.312	LYWSTCYNXUVCMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025704
Cc1nc2n(c1N(S(=O)(=O)C)C)CCN2C	SCHEMBL14024342,PC-id_59820617	244.314	QDWIXWBWNWSNTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025705
CCCN(S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_318227649	244.314	XRMSRIIIWOEZQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025706
CC(C)NS(=O)(=O)N[C@@H]1CCn2ccnc12	ZINC22_907216498	244.314	QWZZVNLPAPDBSL-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025707
CC(C)NS(=O)(=O)N[C@H]1CCn2ccnc12	ZINC22_907216499	244.314	QWZZVNLPAPDBSL-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025708
CCN(S(=O)(=O)N1Cc2c(C1)cn[nH]2)CC	EMOLS-id_317915965	244.314	ULBJXTWNJRXIDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025709
CCN(S(=O)(=O)N1CCn2c1ncc2)CC	EMOLS-id_316462115,MCULE-8589532040	244.314	OXIUJWIXSUMIRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025710
CC(N(S(=O)(=O)N1CCn2c1ncc2)C)C	EMOLS-id_316742916	244.314	XJEIKYCYBANBSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025711
CC(NS(=O)(=O)NC1CCn2c1ncc2)C	EMOLS-id_316990719,MCULE-1356329267	244.314	QWZZVNLPAPDBSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025712
CN1Cc2c(C1)c(n(n2)C)N(S(=O)(=O)C)C	SCHEMBL14024333,PC-id_59820646	244.314	ZFIZEHCAAPTARU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025713
CN1Cn2c(C1)nc(c2N(S(=O)(=O)C)C)C	SCHEMBL14024338,PC-id_59820663	244.314	LGTMLEVFJBBMTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025714
CNCCNS(=O)(=O)c1cnc2n1CCC2	PC-id_121700601	244.314	KFXRPHYNNXOZBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025715
NC(c1nnc2n1CCC2)CCS(=O)(=O)C	PC-id_43142810,EMOLS-id_37528481	244.314	UYLFHCXTCSDEJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025716
NC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C	MCULE-1286734622,EMOLS-id_303036759,PC-id_121703989	244.314	KVEYVCDLHGOSRF-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025717
NC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C	PC-id_121704853	244.314	KVEYVCDLHGOSRF-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025718
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)CC	PC-id_61356508	244.314	RTHGVYVEJXSTAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025719
S(=O)(=O)(NC(c1n2CCCc2nn1)C)CC	PC-id_63738503	244.314	XYQKLASNFDRDJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025720
c1(C(=O)OCC)c2CSCc2sc1OC	MCULE-2913545368,EMOLS-id_331062057	244.33	AVLKXTTUKRLXDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025721
CC(Oc1c(sc2c1CSC2)C(=O)O)C	PC-id_19374954,SCHEMBL9138198	244.33	GBNYNYIYLIQWOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025722
C1Cc2c(C1)c(no2)CN1CCC(=C2CC2)CC1	PC-id_121184277	244.332	ZYBIWLIBCVKPSM-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-025723
S(=O)(=O)(NN)C1=C(Cc2scc(c12)C)C	PC-id_85787511	244.334	YNBPAEQPPFBUEB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025724
C1Cc2nnc(CN3CCC(=C4CC4)CC3)n2C1	MCULE-3200736557,EMOLS-id_104348593,PC-id_121184294,ZINC22_575607022	244.335	UALHNQFTKWHUCG-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-025725
N(C1C2C(C1)CC=C2)C(c1n2CCCc2nn1)C	PC-id_43791503	244.335	MXDMKYGVQLMWOH-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-025726
N#CC1CCCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_101227537	244.335	DCVULCCBIZGDDN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-025727
Cc1cccc(c1)C(c1sc2c(c1)CCC2)O	PC-id_113657977	244.352	FDBGDADHXGNVKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025728
Cc1ccccc1C(c1sc2c(c1)CCC2)O	PC-id_114979089	244.352	LHEMPOZCOKUNBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025729
s1c2c(CCC2)cc1C(O)c1ccc(cc1)C	PC-id_61099005	244.352	UOELPFPIJBMMIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025730
s1c2CCCc2cc1C(O)Cc1ccccc1	PC-id_63016432,MCULE-4260946227	244.352	VWVVDYPCWSWZCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025731
c1ccc(cn1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138509,PC-id_61208741	244.355	XLATZFSYBATXPM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025732
c1ccc(nc1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138549,PC-id_61209135	244.355	UPXXSBJPBJCVTQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025733
c1(CC(N)c2ccccc2)sc2c(CCC2)n1	MCULE-3553937174,PC-id_82066870	244.355	PLEABNZVLULOHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025734
c1(Nc2ccc(cc2C)C)sc2c(CCC2)n1	ChEMBL-DNDi_CHEMBL1414628,ZINC22_268148,TIMTEC225569,SPECS-id_AG-205/37081028,CHEMBL1414628,PC-id_777511,GD-id_ZINC00268148,EMOLS-id_6753700,CoCoCo_6889230,MCULE-5918895772	244.355	ITKMZZMLDHMSPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025735
CC1CCc2c1nc(s2)NCc1ccccc1	EMOLS-id_96707471	244.355	DWSGGHAQCOBOQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025736
CC1(C)CCc2c1sc(n2)Nc1ccccc1	SCHEMBL17398040,PC-id_118628314	244.355	PDQXGRAYBNTYHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025737
Cc1ccc(cn1)C(c1sc2c(c1)CCC2)N	PC-id_115854600	244.355	NFQKMOGKPAXINS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025738
Cc1cccc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_38138749,PC-id_61208380	244.355	HMXWYZGAKOLYFN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025739
Cc1ccc(nc1)NCc1sc2c(c1)CCC2	EMOLS-id_38138767,PC-id_61208394	244.355	WHFMMYKTYFQMNF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025740
Cc1ccncc1C(c1sc2c(c1)CCC2)N	PC-id_105006333	244.355	MGRMIAKCUVLLJC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025741
Cc1ccnc(c1)NCc1sc2c(c1)CCC2	PC-id_61724839,EMOLS-id_38518515	244.355	DTJQDEBPHVDKRI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025742
Cc1cncc(c1)C(c1sc2c(c1)CCC2)N	PC-id_105022857	244.355	RZBHJOTYIYUGAF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025743
Cc1cnccc1NCc1sc2c(c1)CCC2	PC-id_64199013,EMOLS-id_40348886	244.355	WFBRFDFJJDUNHY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025744
Cc1nccc(c1)NCc1sc2c(c1)CCC2	PC-id_116168772	244.355	IGCZLIGPHKDORY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025745
CNC(c1sc2c(c1)CCC2)c1cccnc1	PC-id_113661163	244.355	DPSVNHMKRHQVJB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025746
n1c2CCCc2sc1Cc1ccc(cc1)CN	MCULE-4322390725,PC-id_83301563	244.355	ILTJSGZAGRGXRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025747
n1ccc(cc1)CNCc1sc2c(c1)CCC2	PC-id_61209127,EMOLS-id_38138513	244.355	CPSDYVHALRJIGM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025748
n1c(CNCc2ccccc2)sc2CCCc12	MCULE-7724624178,PC-id_46784921,EMOLS-id_313732231	244.355	KNSZSVFKWQMTJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025749
NC(c1sc2c(c1)CCC2)Cc1cccnc1	PC-id_105034468	244.355	LFTANKXFQOFNLL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025750
NNC(c1sc2c(c1)CCC2)c1ccccc1	PC-id_105282922	244.355	SNFKSWZKEAVJBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025751
s1c2c(CCC2)cc1C(N)Cc1ccncc1	PC-id_65581942	244.355	QWJWGQWDAUUFIR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025752
s1c2c(CCC2)cc1C(N)Cc1ncccc1	PC-id_43118797	244.355	RKTMTWFPEKOTBS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025753
s1c2CCCc2nc1[C@@H](N)Cc1ccccc1	PC-id_42078413	244.355	QOQMIZHIYFIRQD-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-025754
s1c2CCCc2nc1C(N)c1c(cccc1)C	PC-id_61330303	244.355	VPMJNJSNHRBVHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025755
s1c2CCCc2nc1C(N)c1ccc(cc1)C	PC-id_61330500	244.355	RTFSREQZQPXSDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025756
s1c2CCCc2nc1C(N)c1cc(ccc1)C	PC-id_61331091	244.355	IDZGOSJCIWWEFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025757
s1c2CCCc2nc1C(N)Cc1ccccc1	PC-id_24261762	244.355	QOQMIZHIYFIRQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025758
s1c2CCCc2nc1C(NC)c1ccccc1	PC-id_61329979	244.355	JIOBVMFKVNSSHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025759
s1c(CNc2c(cccn2)C)cc2CCCc12	PC-id_62254246,EMOLS-id_38875958,MCULE-5777823845	244.355	GNSQJPZNRPSXQC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025760
CCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C#N	SCHEMBL11746965,PC-id_12369123	244.375	RYJSZCXWMGAJDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025761
n1(c(c2C(CC(c2c1C)(C)C#N)(C)C)C)C(C)C	SCHEMBL11751225,PC-id_12369125	244.375	VAVKJERETFHHCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025762
CS(=O)CCNCc1sc2c(n1)CCC2	PC-id_115887570	244.377	QQQAAJHOZOSHDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025763
S1C(n2c(c(O)n([Si](C)(C)C)c2=O)C1)C	PC-id_54352001	244.386	UGKSWEOCQJXOEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025764
Clc1cn2c(C(=S)N(C2=O)CC(=O)O)c1	PC-id_85682765	244.655	MSNLBHRTORCOMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025765
Clc1n2c(C(=S)N(C2=O)CC(=O)O)cc1	PC-id_85682772	244.655	RMBPKWFFIMABEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025766
CCN1N(Cl)c2c(C1C)c(c(o2)C(=O)O)C	PC-id_57082850,SCHEMBL9583853	244.675	QZSUSTQZXKUVBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025767
Clc1nc2SCCn2c1C=NN=C(N)N	PC-id_382971	244.705	FJHASOKORXRLTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025768
NC(=N/N=Cc1c(Cl)nc2n1CCS2)N	CoCoCo_5737569,CoCoCo_5737570,ZINC22_31861607	244.705	FJHASOKORXRLTI-JYOAFUTRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025769
NC(=N/N=C/c1c(Cl)nc2n1CCS2)N	ZINC22_5600196,CoCoCo_5737568,CHEMBL1193446,CoCoCo_5737571,PC-id_9571915	244.705	FJHASOKORXRLTI-QDEBKDIKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025770
Clc1ccc(cc1)C=C1CCc2c1n(C)nc2	MCULE-9585811288,EMOLS-id_317374755,PC-id_5236131	244.719	CJXKYOYOKICJMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025771
Clc1ccc(/C=C/2CCc3c2n(nc3)C)cc1	PC-id_6309652	244.719	CJXKYOYOKICJMV-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025772
CC1CC(c2c1c(C(=O)O)c(s2)Cl)(C)C	EMOLS-id_313777684,PC-id_106664686	244.738	QDMMEXGEURFTGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025773
Clc1c2CCCc2sc1CC(C)C(=O)O	PC-id_84802727	244.738	AMACJUBFIJAXQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025774
Clc1c2CCCc2sc1C(CC)C(=O)O	PC-id_84802729	244.738	LUUNXIPHAKTWAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025775
Clc1c2CCCc2sc1C(CC(=O)O)C	PC-id_84802728	244.738	NVKGZIQEOABMHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025776
C1Cc2c(C1NC(=O)NCCCl)scc2	SCHEMBL13963575,PC-id_89211054	244.741	DMZARSXQBLPPHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025777
c1(NC(=O)CCl)sc2c(C(CC2)(C)C)n1	EMOLS-id_42772544,PC-id_45496670,MCULE-3768036232	244.741	VFGCGOLSXGJPFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025778
Clc1sc2CCC(NCC(=O)NC)c2c1	EMOLS-id_313684044,PC-id_81252051	244.741	KMEGKTCNWPHUBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025779
Clc1sc2c(C(NC(C)C(=O)N)CC2)c1	PC-id_81251505	244.741	VSPIFISIUACSEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025780
Clc1sc2c(C(NCCC(=O)N)CC2)c1	PC-id_81251719,EMOLS-id_313538205	244.741	JYXDVXSMVPWGRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025781
ClCCCC(=O)Nc1sc2CCCc2n1	PC-id_60723498,EMOLS-id_37369122	244.741	PQRFBRPXOUEQEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025782
ClCC(C(=O)Nc1sc2CCCc2n1)C	PC-id_62727618,EMOLS-id_39328224	244.741	RHYMLJVYYKVQCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025783
CN(C(=O)NC1CCc2c1cc(s2)Cl)C	EMOLS-id_102495131	244.741	ISHRRZCAPNPJMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025784
C[NH+](C[C@@]1(C)Cc2c(C1=O)sc(c2)Cl)C	GD-id_ZINC04934684	244.761	IIILQVNRZWMLHM-LLVKDONJSA-O	00000010100000000000000010000000000000000000000000000000	25-01-025785
Clc1sc2c(C(NCCCCN)CC2)c1	EMOLS-id_315492045,PC-id_81251308	244.784	GNMMADAPWAXKOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025786
Clc1sc2c(C(NCCN(C)C)CC2)c1	PC-id_81252976,EMOLS-id_313563187	244.784	RZIJQLXSTNOIIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025787
ClC1Sc2c(S1)sc(=S)s2	SCHEMBL8574820,PC-id_19694488	244.829	NXCBFNTWYYXVLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025788
C1C2=C(C=C(S2)Br)N=C1C(=O)O	PC-id_153832627	244.915	FNQFYAXUUHEOLZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025789
C1CC2=C(C1)SC(=C2C(=O)O)N=S(=O)=O	PC-id_153916503	244.982	HZWNEIJZKPKEBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025790
C1c2c([nH]cc2C(=O)N1C(=O)O)Br	SCHEMBL20554161,PC-id_135373560	245.03	BPWALNLJLFNTBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025791
C1C2=CN(N=C2CN1C(=O)CCO)S(=O)O	PC-id_164872084	245.047	JGQWQIVTTBWSNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025792
CON(C(=O)OC1=NNC2=C1CSC2)OC	PC-id_153734284	245.047	JBCYCDQZFHHVDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025793
CC1CN2C(=C(N=N2)C(=O)C3=CC=CC=C3)S1	PC-id_154724126	245.062	HOXAGTROXDHVAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025794
Brc1oc2C(CCc2c1)CC(=O)O	PC-id_83912865	245.07	KVRZDAIKKZQGOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025795
Brc1oc2c(C(CC2)CC(=O)O)c1	PC-id_83912866	245.07	AAOHNAQEUHHGJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025796
Brc1c2n(nc1)CCC2CC(=O)O	PC-id_84704807	245.073	DVAFTLQWOFFITO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025797
Brc1n2CCC(c2nc1C)C(=O)O	PC-id_84704805	245.073	LATXNNONUZPALK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025798
Brc1n2CC(Cc2nc1C)C(=O)O	PC-id_84704806	245.073	RELVSQGLVDEWMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025799
Brc1[nH]cc2C(N)(CCc12)C(=O)O	PC-id_83912869	245.073	NOZLZQXZEMEJEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025800
Brc1n(nc2c1C(CC2)C(=O)O)C	PC-id_83912872	245.073	BYYIYSFKJXKVEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025801
Brc1nn(c2CCC(c12)C(=O)O)C	PC-id_83912873	245.073	UVUAOGNZMXEKTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025802
Brc1n[nH]c2CCC(c12)CC(=O)O	PC-id_83912870	245.073	KXGXSKBSZRSBAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025803
c1(C(=O)OC)c2CCCn2nc1Br	MCULE-8844121111,EMOLS-id_317865981	245.073	NBKPRFUIIVXSNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025804
COC(=O)c1nc(Br)n2CCCc12	EMOLS-id_336491211	245.073	DHIAJBPFIUFHDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025805
n1c2CCCn2c(CC(=O)O)c1Br	MCULE-6804846810	245.073	IQBGBXSQVAJRSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025806
OC(=O)C1=Nc2c([CH]1)scc2Br	EMOLS-id_317696211	245.073	JDDAZUJIEFPLIX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-025807
CC1=CC(=NC=C1)NCC2=NC3=C(S2)CCC3	PC-id_154776072	245.099	LLMPVHYWTXFZPK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025808
Brc1c(oc2c1COC2)C(C)(C)C	PC-id_84802789	245.113	FPSRBDHCXDJVPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025809
BrCc1c2CCCc2oc1COC	PC-id_83610063	245.113	IYDDMHIYDOBEBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025810
Brc1c2COCc2nn1C(C)(C)C	PC-id_105505402	245.116	OFIXFTOTSCTOBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025811
Brc1c(nn2c1OCC2)C(C)(C)C	PC-id_84045345	245.116	BABUZSIUXJQOAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025812
Brc1n2CCCc2nc1C(O)(C)C	PC-id_84704924	245.116	DTNNFMDAMWOGIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025813
Brc1nc2n(CCC2)c1C(O)(C)C	PC-id_84704923	245.116	IMCCRPCEUFBIRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025814
Brc1n(cc2C(N)(CCc12)CO)C	PC-id_83912880	245.116	NAWNHPTVRVUPFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025815
Brc1n(cc2C(O)(CCc12)CN)C	PC-id_83912877	245.116	BXBLFJRRNNJWMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025816
Brc1[nH]cc2C(O)(CCc12)CCN	PC-id_83912879	245.116	OSZNAXVRCSEGGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025817
Brc1nn(c2c1COC2)C(C)(C)C	PC-id_105505397	245.116	QZIWWTPBCYSHOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025818
CC(Cn1nc2c(c1Br)COC2)C	PC-id_105505403	245.116	WMFGFPWOLYLSQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025819
CC(Cn1nc(c2c1COC2)Br)C	PC-id_105505398	245.116	PENATQANWZYUJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025820
CC(C)n1c2c(CNC2)nc1S(=O)(C)(C)O	PC-id_164151425	245.12	ZEZTWGNFYPFEMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025821
CC1=CC(=NC(=N1)NC2CC3=CN=CN3C2)OC	MCULE-3738101711,EMOLS-id_317748404,PC-id_154783384	245.128	JQRKKAVFFRWAIS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025822
CC1=CC(=NC(=N1)OC)NC2CC3=CN=CN3C2	MCULE-6365640001,PC-id_154787943,EMOLS-id_317722846	245.128	KFYYPOJYDVEVDA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-025823
Brc1c2CCCc2sc1C(=O)C	PC-id_84802811	245.136	QCGNFHHKQJYAJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025824
Brc1c2C(C(C(=O)c2sc1)C)C	SCHEMBL813496,PC-id_58526150	245.136	CBAULTQNULGSDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025825
Brc1c2CC(C(=O)c2sc1C)C	SCHEMBL817259,PC-id_58526162	245.136	OPFFBNGVBAVQAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025826
Brc1c2c(sc1C)CC(C2=O)C	SCHEMBL816822,PC-id_12682496	245.136	FIHQPAVWVMVHJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025827
BrCC(=O)c1sc2c(c1)CCC2	EMOLS-id_48602963,PC-id_80146951	245.136	SXYVBQHITLHPOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025828
CC(=O)c1c(Br)sc2c1CCC2	SCHEMBL19320697	245.136	DYXZFSCVAVZDRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025829
CC(=O)c1sc(c2c1CCC2)Br	PC-id_144904541	245.136	PPFGUUUOLUDZLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025830
BrCCCc1cc2CCCc2s1	EMOLS-id_313956058,MCULE-1044699379	245.179	QXPFLFWRYYPZOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025831
CC(Br)Cc1cc2CCCc2s1	MCULE-6281479133,EMOLS-id_313957081	245.179	WAVCBOLEUACOPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025832
CC(CBr)c1cc2CCCc2s1	EMOLS-id_313957593,MCULE-1613875723	245.179	ALHSOJJFXKHQGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025833
c1(C(F)(F)F)c2CCCc2n(CCN=N#N)n1	PC-id_121214528,EMOLS-id_70119191,MCULE-9936167846	245.204	YQWGSZTYWSTBFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025834
Fc1ccc(C(=O)c2[nH]c3c(OC(=O)C3)c2)cc1	SCHEMBL7678242,PC-id_18424319	245.206	SIKIGPVOSIJHOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025835
Fc1cc(C=C2Cn3c(C2=O)ccc3)ccc1F	EMOLS-id_26233111,MCULE-3936883055,PC-id_45835640	245.224	DKHUGAQHEOCUCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025836
Fc1cc(/C=C/2Cn3c(C2=O)ccc3)ccc1F	PC-id_24241986,CoCoCo_4588826	245.224	DKHUGAQHEOCUCN-UXBLZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025837
O=C1/C(=Cc2ccc(F)c(F)c2)/Cn2cccc12	PC-id_97743877,CoCoCo_4588827,ZINC22_96941984	245.224	DKHUGAQHEOCUCN-POHAHGRESA-N	00000010100000110000000010000000000000000000000000000000	25-01-025838
c12CN(Cc1nn(CC(F)F)c2)C(=O)OCC	EMOLS-id_324338530,MCULE-5147453210	245.226	UGGRRNAELXOCPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025839
c1(C(CN)(F)F)c2CCCc2n(CC(=O)O)n1	MCULE-9087842664,EMOLS-id_317867766	245.226	VGUFLKZLHJVGNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025840
c1(C(=O)N(C)C)c2COCc2nn1CC(F)F	MCULE-7701036363,EMOLS-id_324402266	245.226	JHDFRNUBWNPJRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025841
CCC(C1CCc2nc(nn12)C(=O)OC)(F)F	PC-id_135136248,SCHEMBL20282712	245.226	JJTYPNPDCWSBOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025842
CCOC(=O)c1nn2C(CCc2n1)C(C)(F)F	SCHEMBL20213676,PC-id_134564020	245.226	VUVAFAMQBHZUEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025843
OC(=O)c1c2n(CCC2)c(C(=O)c2occc2)c1	MCULE-2340241184	245.231	VTEXWWBYSBRMMO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-025844
OC(=O)C1CCn2c1ccc2C(=O)c1ccco1	SCHEMBL10958780,PC-id_20356096	245.231	WFNLUYMSCZSOCF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-025845
OC(=O)C1CCn2c1ccc2C(=O)c1ccoc1	SCHEMBL11661178,PC-id_20356101	245.231	HJGYPFYQWFQPBY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-025846
S1(=O)(=O)N=C([O-])c2c1sc(c2C)C(=O)[O-]	PC-id_28102337	245.232	WKVNXWCPKKAPFQ-UHFFFAOYSA-L	00000011100000000001000010000000000000000000000000000000	25-01-025847
CN(/N=C(/c1nc2c(n1C(F)F)CNC2)N)N	PC-id_144979372	245.233	SHAIPUYNESBIJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025848
O1c2n(nnc2C(=O)c2ccc(OC)cc2)CC1	PC-id_46934569,CHEMBL1221857	245.234	HUUCEUUYEIGXRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025849
O=C1N(CCCn2ccnc2)C(=O)c2nc[nH]c12	PC-id_44614641	245.237	KPSYFMFHZKBXJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025850
FC(F)(F)c1oc2c(c1CNC1CC1)CCC2	PC-id_83610550	245.241	ZHCVKFHGTUDLCO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-025851
o1nc(NN=C2c3n(N=C2C)nc(n3)C)cc1C	PC-id_59289920	245.241	ZAMFVNDKZASIMS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-025852
Fc1ccc(C(=O)c2c3CCCc3oc2N)cc1	PC-id_83447131	245.249	JMXWZQUIASMTCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025853
Fc1cc(C(=O)c2c3CCCc3oc2N)ccc1	PC-id_83447129	245.249	NFUQBMMJLLWVMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025854
Fc1c(C(=O)c2c3CCCc3oc2N)cccc1	PC-id_83447130	245.249	ANXXZVBEPPVMKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025855
C1CCc2nc(c(n12)C(=O)c1ccc(F)cc1)N	MCULE-5395593960,ZINC22_6668600,EMOLS-id_9989594,PC-id_8033677	245.252	HICZSZHLXMMSIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025856
c1(C(=O)Nc2ccc(cc2)F)c2CCCc2[nH]n1	EMOLS-id_179744763,MCULE-8526359091,PC-id_110388899	245.252	ZECKNTGLVICBAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025857
c1(C(=O)Nc2ccccc2F)c2CCCc2[nH]n1	MCULE-3151690786,PC-id_110388898,EMOLS-id_179744760	245.252	FDGFGRIYLIMGSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025858
c1(C(=O)Nc2ccccc2F)cn2c(CCC2)n1	EMOLS-id_321297881,MCULE-7795080901	245.252	GTJXRPRUBBZCAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025859
c1(C(=O)Nc2cccc(F)c2)c2CCCc2[nH]n1	MCULE-4823188404,EMOLS-id_179744891,PC-id_110388941	245.252	WHRUZEUFSSAFEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025860
c1(C(=O)Nc2cccc(F)c2)cn2c(CCC2)n1	EMOLS-id_321297884,MCULE-4520405478	245.252	BKHZFOIOGXZARC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025861
c1(C(=O)Nc2ccc(F)cc2)cn2c(CCC2)n1	MCULE-4804791133,EMOLS-id_321298137	245.252	VDHPJRBLFNMDTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025862
Fc1cc(C(=O)Nc2n[nH]c3CCCc23)ccc1	PC-id_9834718	245.252	XSCWSMPTOSQSMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025863
O=C(Nc1ccc(F)nc1)c1cc2c([nH]1)CCC2	ZINC22_1875257761,MCULE-8143523728,EMOLS-id_324054282,PC-id_146087901	245.252	QJSTZPHLTWIEPW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025864
O=C(Nc1cncc(F)c1)c1cc2c([nH]1)CCC2	MCULE-9045228665,EMOLS-id_324036889,ZINC22_1875261172,PC-id_146089708	245.252	AMOZDJJPNLMFKL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-025865
CCS(=O)(=O)n1nc2c(c1)CN(C2)C(=O)O	SCHEMBL18760087	245.256	HTKFKJJHZZIUTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025866
CCS(=O)(=O)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_112034470	245.256	JIGNNHBLWBFSST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025867
COC(=O)[C@@H]1NCc2c1cnn2S(=O)(=O)C	PC-id_141411237	245.256	TVHXANAYGUFVHB-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025868
OC(=O)CNS(=O)(=O)c1cnc2n1CCC2	MCULE-2723200569,PC-id_120393728,EMOLS-id_71082468	245.256	AIPZPQZXHBGWJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025869
CC(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68439327,SCHEMBL2914700	245.259	YRDHCCIZEMFYPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025870
Nc1n2CCCn2c(=O)c1N=Nc1cc[nH+]cc1	PC-id_145539460	245.261	NIYXUSHTWSPJDC-UHFFFAOYSA-O	00000010100000101001000010000000000000000000000000000000	25-01-025871
c1(C(=O)O)c2CCCc2n(Cc2ccco2)c1C	MCULE-6760722869,PC-id_28473965	245.274	XRAMUVWQJTWOJF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-025872
O1N(C(c2ccccc2)C)c2c(oc(O)c2)C1C	PC-id_20481517	245.274	XMJHLVKNCGRPOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025873
O=S(=O)(CC1(F)CC1)N1CCn2nccc12	EMOLS-id_313194831,MCULE-6781025435,ZINC22_903630524	245.274	VFCCTTGKLDHWEU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-025874
c1(N(=O)=O)c2CSCc2sc1C(=O)OC	EMOLS-id_330872900,MCULE-1439669524	245.275	VXVDOFBRGCODNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025875
c12OCCn1nc(COc1cccc(C)c1N)c2	MCULE-7966691613,EMOLS-id_317750136	245.277	HXCPFSXPBVVRKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025876
c1(CNC(=O)c2ccoc2)c2CCCc2nn1C	MCULE-8442293617,EMOLS-id_53884635,ZINC22_225817790,PC-id_91819383	245.277	FOXDYNRALDGJKU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025877
c1(C(=O)NCc2ccco2)c2CCCc2n(C)n1	EMOLS-id_179745052,PC-id_110388996,MCULE-1332518322	245.277	LEFMDJLAMBCJSR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025878
Cc1c[nH]c(n1)CNC(=O)c1occ2c1CCC2	EMOLS-id_279016706	245.277	YRNHOIHGVXVHOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025879
Cc1coc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319449216	245.277	BVPYTRXTITXVND-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025880
Cc1coc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318977674	245.277	OUWVEJZOSQBZTC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025881
CCc1[nH]ncc1NC(=O)c1occ2c1CCC2	EMOLS-id_319422929	245.277	JOIFMIWYXGPMBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025882
CN=C/C=CC=CC1Cc2c(C1)c(n[nH]2)C(=O)O	PC-id_143311063	245.277	YMFWHEZDFPHPRP-YEFJGLNBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025883
COc1ccccc1C(c1nnn2c1CCC2)O	PC-id_102109638	245.277	ADPBTGUSIKUANA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025884
COc1ccc(OCc2nnc3n2CCC3)cc1	MCULE-5077043573,PC-id_854981,CoCoCo_3767470,ZINC22_408978,CK2062159	245.277	LTSKGEFMVOASSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025885
O=c1n(CCc2ccccc2)c(=O)n2n1CCC2	PC-id_102523854	245.277	MMZOTDWSLQUNBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025886
O=C(c1cocc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319529720	245.277	WHTQZMGPJQVDIH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025887
O=C(c1occ2c1CCC2)NCCc1n[nH]cc1	EMOLS-id_319529125	245.277	AUOXWBNMSYVKPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025888
O=C(c1occc1C)NCc1cnc2n1CCC2	EMOLS-id_318889038	245.277	LELCQHDSAXCPIF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025889
O=C(c1occc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318955312	245.277	BIFIBDCGSQGFPB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025890
O=C(Cc1ccco1)NCc1cnc2n1CCC2	EMOLS-id_318824239	245.277	VINCSWNGKOUMTM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025891
O=C(Cc1cocc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319413961	245.277	GKEBLTUOOJDRKF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-025892
c1(C(=O)Nc2cc(n(C)n2)C)c2CCCc2[nH]n1	MCULE-6961736911,EMOLS-id_323259569	245.28	WDTTVGLWPRLKCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025893
c1(C(=O)NCc2cn[nH]c2C)c2CCCc2[nH]n1	MCULE-8992181814,EMOLS-id_323259571	245.28	DFFBLRMHLMDSSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025894
c1(C(=O)NCCc2c[nH]cn2)c2CCCc2n[nH]1	MCULE-7498327325,CNP0391070,EMOLS-id_323937496,EMOLS-id_44750988,ZINC22_85875232,STOCK1N-79356,PC-id_71754504	245.28	NTWMLUHEMBXGCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025895
c1(C(=O)NCCn2cccn2)c2CCCc2[nH]n1	MCULE-8864623703,EMOLS-id_323257013	245.28	HOUJAEOAXMHFSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025896
c1(C(=O)NCCn2ccnc2)c2CCCc2[nH]n1	MCULE-5198152084,EMOLS-id_323257525	245.28	YVOUOVMCRBRDFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025897
Cc1cc([nH]n1)CCC(=O)N1CCn2c1ccn2	EMOLS-id_320195838,MCULE-2490810911	245.28	QUFDTLRYWUGQRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025898
Cc1c[nH]c(n1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319585317	245.28	KWPNSZWSMSIUKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025899
Cc1nnc2CC(CNC(=O)c3ccc[nH]3)Cn12	PC-id_145935783,EMOLS-id_323965034,MCULE-5333489942	245.28	KXJSXGKYHNNCKP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025900
Cc1nnc2n1C[C@@H](CNC(=O)c1ccc[nH]1)C2	ZINC22_1857693165	245.28	KXJSXGKYHNNCKP-SECBINFHSA-N	00000010110000000001000010000000000000000000000000000000	25-01-025901
Cc1nnc2n1C[C@H](CNC(=O)c1ccc[nH]1)C2	ZINC22_1857693166	245.28	KXJSXGKYHNNCKP-VIFPVBQESA-N	00000010110000000001000010000000000000000000000000000000	25-01-025902
Cc1n[nH]c(c1)C(=O)NCc1cnc2n1CCC2	MCULE-2503073318,EMOLS-id_320072989	245.28	WFADAVWUYOTYOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025903
Cc1n[nH]c(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320206198,MCULE-5386613588	245.28	XUQNYZMSFWIQQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025904
CCc1cnc([nH]1)CC(=O)N1CCn2c1ccn2	EMOLS-id_316617674	245.28	NWXCOSNWEXOXMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025905
CCc1nc[nH]c1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_278848749	245.28	MLSKUSAIFGCVEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025906
CCc1[nH]ncc1NC(=O)c1cnc2n1CCC2	EMOLS-id_319539636	245.28	TXAICNMJUSETGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025907
CCc1[nH]ncc1NC(=O)c1cnn2c1CCC2	EMOLS-id_318860037	245.28	DVJMQLBKVBXOEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025908
CCc1[nH]ncc1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319761423	245.28	CHPNTRZEKNANPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025909
CCC(C(=O)N1Cc2c(C1)cn[nH]2)n1cccn1	EMOLS-id_320331101,MCULE-9546878249	245.28	DVDPQOMAVOHMER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025910
CCC(C(=O)N1Cc2c(C1)cn[nH]2)n1ccnc1	EMOLS-id_319213338	245.28	DFEXELNCFOYWAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025911
CCC(C(=O)N1CCn2c1ccn2)n1cccn1	EMOLS-id_320257806,MCULE-4677544767	245.28	XPNRFBAKLXMEHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025912
CCC(C(=O)N1CCn2c1ncc2)n1cncc1	EMOLS-id_319268219	245.28	IBJXDTSLZXGEJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025913
CC(n1ccnc1C(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_319558953	245.28	WVHAEFLTOLBPOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025914
CCn1nc(cc1C)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_320158237,MCULE-4727176360	245.28	OZHUITAMQGMQFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025915
CCn1ncc(c1C)C(=O)N1Cc2c(C1)cn[nH]2	MCULE-5191071834,EMOLS-id_319944487	245.28	XPVPBDNFGQIZEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025916
CCn1nc(cc1C)C(=O)N1CCn2c1ccn2	EMOLS-id_318840682	245.28	JTXFJDFCENPMOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025917
CCn1ncc(c1C)C(=O)N1CCn2c1ncc2	EMOLS-id_319596596	245.28	AQYUXPHTCDGDBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025918
Cn1cc(C(=O)NCc2c3c(CCC3)[nH]n2)nc1	ZINC22_1857693181,EMOLS-id_320047908,MCULE-8706627909,PC-id_145935233	245.28	LXHMQCNJEVYYHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025919
Cn1cnc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-6149954377,EMOLS-id_320293899	245.28	UGCANTAXBRGPBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025920
Cn1nc2c(c1NC(=O)c1nccn1C)CCC2	MCULE-3990686728,EMOLS-id_319964161	245.28	YMGRQXWVBZSBQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025921
Cn1ncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320156358,MCULE-4254022082	245.28	ATIMHFFLXMMQCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025922
Cn1ncc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319369770	245.28	XOKJCGGMKOGZBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025923
Cn1nc(c(c1)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_258016723,MCULE-6498483866	245.28	VAWSFNOJZMVNKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025924
O=C(c1ccnn1C)NCc1n[nH]c2c1CCC2	MCULE-2694402293,EMOLS-id_319846818	245.28	MLYGOXUGOLVNNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025925
O=C(c1cn2c(n1)CCC2)NCc1[nH]ncc1C	EMOLS-id_320029601,MCULE-1499847291	245.28	JHSBBAJJYOXZDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025926
O=C(c1cn2c(n1)CCC2)NCCc1n[nH]cc1	EMOLS-id_319283226	245.28	NBJJYICIAZGCPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025927
O=C(c1cnc2n1CCC2)NCCc1n[nH]cc1	EMOLS-id_319046601	245.28	NAEQSZQDATUQCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025928
O=C(c1cncn1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318810742	245.28	YNZVDUNHLPHYMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025929
O=C(c1c[nH]c(n1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319781270	245.28	DSUBQOORBIGFAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025930
O=C(c1cnn2c1CCC2)NCc1[nH]ncc1C	EMOLS-id_318984717	245.28	YGWDMJWBXJFXKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025931
O=C(c1cnn2c1CCC2)NCCc1n[nH]cc1	EMOLS-id_319455880	245.28	GJFUKIFBKYMOHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025932
O=C(c1nccn1C)NCc1cnc2n1CCC2	MCULE-6233609059,EMOLS-id_320331578	245.28	XIDCQPDNVZOJIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025933
O=C(c1nccn1C)NCc1nn2c(c1)CCC2	EMOLS-id_319400990	245.28	WIVVXTLVPUFDMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025934
O=C(c1nccn1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319379850	245.28	JCQBUCCYGUSHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025935
O=C(c1nn2c(c1)CCC2)NCc1[nH]ncc1C	EMOLS-id_318873763	245.28	ADNNHSVLGWTLTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025936
O=C(c1nn(c(c1)C)C)NC1CCn2c1ncc2	EMOLS-id_319410584	245.28	RWRBRDPOOFZFOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025937
O=C(c1n[nH]c2c1CCC2)NCCc1ncc[nH]1	EMOLS-id_99910170	245.28	JEEBHFIYAGHDCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025938
O=C(c1n[nH]c2c1CCC2)NCCc1n[nH]cc1	EMOLS-id_319804166	245.28	DAZVYBFALFNXJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025939
O=C(c1n[nH]cc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319153988	245.28	YOTICATVFPWQOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025940
O=C(Cc1ccn[nH]1)NCc1n[nH]c2c1CCC2	EMOLS-id_318979379	245.28	PPRMOIOLZVUKBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025941
O=C(Cc1c[nH]nc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319670040	245.28	VTPPEYBENXXSJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025942
O=C(Cc1ncc[nH]1)NCc1n[nH]c2c1CCC2	EMOLS-id_319991034,MCULE-9112343252	245.28	QGOAMFOWMCFPTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025943
O=C(Cn1cccn1)NCc1cnc2n1CCC2	EMOLS-id_318887404	245.28	VDVLVNNRUBVOGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025944
O=C(Cn1cncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320328331,MCULE-7971902680	245.28	FFERQVZCNGBRMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025945
O=C(N1CCn2c1ccn2)c1nccn1C(C)C	EMOLS-id_318904928	245.28	MYNOUEGQUICNPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025946
O=C(N1CCn2c1ccn2)CCc1nccn1C	EMOLS-id_319786522	245.28	LOODIHIYZRJSQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025947
O=C(N1CCn2c1ccn2)CCc1[nH]cc(n1)C	EMOLS-id_318845230	245.28	JVZVRNBZSGRAPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025948
O=C(N1CCn2c1ncc2)CCc1[nH]nc(c1)C	EMOLS-id_319587923	245.28	SUCFFRUXKDUODX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025949
O=C(Nc1n(C)nc2c1CCC2)Cc1c[nH]nc1	EMOLS-id_319363994	245.28	MPFLOBKNYBSDEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025950
O=C(/N=C/N(C)C)c1c2n(CCC2)c(c1N)C#N	PC-id_13929295	245.28	VAWLBCFRFJHKLK-VIZOYTHASA-N	00000010100000000000000010000000000000000000000000000000	25-01-025951
Fc1ccc(C(N)c2c3CCCc3oc2C)cc1	PC-id_83610144	245.292	PFNDDLLORFVWRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025952
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)F	MCULE-8083085591,EMOLS-id_330962675	245.295	QGRILZQRCDYSOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025953
CC1CCc2c1c(N)nn2Cc1ccccc1F	EMOLS-id_330961140,MCULE-6703990386	245.295	URIRZTOJPQXISF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025954
CC1CCc2c1c(N)nn2Cc1cccc(F)c1	EMOLS-id_330963700,MCULE-7908843044	245.295	SVSFYBGOWKZKHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025955
CC1CCc2nn(Cc3ccccc3F)c(N)c12	MCULE-8274290541,EMOLS-id_331010209	245.295	UXQACANZZNLHCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025956
CC1CCc2nn(Cc3cccc(F)c3)c(N)c12	MCULE-6339499521,EMOLS-id_331012769	245.295	KLINDVFEGRHENZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025957
CC1CCc2nn(Cc3ccc(F)cc3)c(N)c12	MCULE-5231645143,EMOLS-id_331011744	245.295	HXQWBTPAVFAXLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025958
FC1Cc2n(nc(c2C1)CN)Cc1ccccc1	PC-id_83854078	245.295	XWIPNLLRLSJXCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025959
NCc1nn(c2c1CCC2)Cc1ccccc1F	SCHEMBL19312302	245.295	JSPYLKMYVXAHKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025960
O=C1C(O)c2c(N1Cc1ccccc1)ccs2	SCHEMBL18699212	245.297	MEIKXRGSNNNAEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025961
s1c2CCC(=O)c2c(N)c1Oc1ccccc1	PC-id_16639322	245.297	NRSKGCCLTXTQOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-025962
S(=O)(=O)(C1=Cc2n(C1)ccc2)c1ccccc1	PC-id_13160452	245.297	CNQYFRSOTJRPEH-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-025963
S(=O)(=O)(c1cn2c(c1)C=CC2)c1ccccc1	PC-id_13160453	245.297	KVXGLFKKEDVZCM-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-025964
CC(CNS(=O)(=O)c1cnc2n1CCC2)O	EMOLS-id_316881681,MCULE-9969117919	245.299	FQTLTSUXCZMJML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025965
C[C@@H](O)CNS(=O)(=O)c1cnc2n1CCC2	ZINC22_331369374	245.299	FQTLTSUXCZMJML-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025966
C[C@H](O)CNS(=O)(=O)c1cnc2n1CCC2	ZINC22_331369375	245.299	FQTLTSUXCZMJML-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025967
CCn1c2CN(Cc2nc1S(=O)(=O)CC)O	SCHEMBL17380100,PC-id_118613844	245.299	QYTMGOWWNLAKSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025968
COC(CS(=O)(=O)N1Cc2c(C1)cn[nH]2)C	MCULE-4620188036,EMOLS-id_316472618	245.299	CNSDSSRBJLCTNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025969
ON1Cc2c(C1)nc(n2C(C)C)S(=O)(=O)C	SCHEMBL17380097,PC-id_118613841	245.299	CCURCAXCRPAFOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025970
ON1Cc2c(C1)nc(n2C)S(=O)(=O)C(C)C	SCHEMBL17380124,PC-id_118613868	245.299	YFSYQXOWAZJGKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025971
c1(C(=O)c2ccccc2)n2CC(C)Sc2nn1	MCULE-2577771277,PC-id_2972732,CHEMBL1873387,EMOLS-id_2266953,SPECS-id_AN-153/I234686	245.3	NCUAZNBOULEUMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025972
c1(sc2c(CNC2)n1)NC(=O)c1ccccc1	PC-id_82194051,MCULE-7738797813	245.3	RIJDSHKGCVYURP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025973
c1(snc2CCCc12)NC(=O)c1cccnc1	ZINC22_1850050665,EMOLS-id_331094048,MCULE-4883753441	245.3	LPAPIVHQOCFIAW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025974
C[C@@H]1Cn2c(nnc2C(=O)c2ccccc2)S1	CoCoCo_1975967,PC-id_714407,ZINC22_109406	245.3	NCUAZNBOULEUMH-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025975
C[C@H]1Cn2c(nnc2C(=O)c2ccccc2)S1	ZINC22_109402,PC-id_714406,CoCoCo_1975968	245.3	NCUAZNBOULEUMH-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025976
O=C(c1ccncc1)Nc1sc2c(CCC2)n1	MCULE-5621425785,EMOLS-id_30186739,PC-id_26723052,ZINC22_15636379	245.3	KXMGFPSIMJWDHU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025977
O=C(c1cnccc1)Nc1sc2c(CCC2)n1	ZINC22_25768001,PC-id_33039666,EMOLS-id_31344777,MCULE-7604428866	245.3	KOMCCWDFZPVBQQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025978
O=C(c1ncccc1)Nc1sc2c(CCC2)n1	MCULE-8571225198,PC-id_26723051,ZINC22_15636377,EMOLS-id_31344775	245.3	CRHARWHALUXYJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025979
O=C(C1SCc2n1ccc2)Nc1cccnc1	PC-id_70352134,SCHEMBL10367473	245.3	FDSSSNVOAOQYHE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-025980
s1c2CN(Cc2nc1N)C(=O)c1ccccc1	PC-id_82194164	245.3	AOGPXIWDSMKUDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025981
S1c2n(nc(n2)CCc2ccccc2)C(=O)C1	PC-id_82357951	245.3	AQGIAWSVSZYTQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025982
S1CCn2c(c(nc12)N)C(=O)c1ccccc1	PC-id_71339211	245.3	PBLKOMAQHORAFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-025983
c1cn2cc(Cc3nnc4n3CCC4)nc2s1	PC-id_4246348,EMOLS-id_300043147,CK1153756,CoCoCo_3751251,ZINC22_12569717,MCULE-6695087801	245.304	QARQWWUTRUAEAA-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-025984
CC1=C(C)CN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_102713615	245.317	IKVBHWILTADGBM-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-025985
O(C(=O)c1c2n(CCC2)c(c1)C#CCCCC)C	PC-id_11817427	245.317	IMTYNOQMMQIVQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025986
CS(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_266577754	245.319	LTVCGWXHIIBATE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025987
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)C	EMOLS-id_111942319	245.319	OSCSKENKXWABTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025988
OC(=O)CSc1sc2c(n1)C(OC2)(C)C	EMOLS-id_107791769	245.319	VOZRHISRMNKDPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-025989
S(=O)(=O)(N1C(=O)C(c2c1scc2)CC)C	PC-id_11107614	245.319	XSZWURSIJQEVRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-025990
c1(c2CCCc2[nH]n1)C(=O)N1CC2C(C2)(CC)C1	MCULE-3334809145,EMOLS-id_317904045	245.32	HLOPUGSXRASPPF-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-025991
c1(C(=O)NCC2=CCCCC2)c2CCCc2n[nH]1	ZINC22_295822810,EMOLS-id_82708465,PC-id_119061793,MCULE-1894592104	245.32	POQCRLWWMQBHJJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-025992
CC1C=C(C)CN(C1)C(=O)c1nn2c(c1)CCC2	MCULE-9705146366,EMOLS-id_102838229	245.32	KMQMUHZRSMQOQE-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-025993
CC1=C[C@H](C)CN(C(=O)c2cc3n(n2)CCC3)C1	ZINC22_334693128	245.32	KMQMUHZRSMQOQE-JTQLQIEISA-N	00000010100011000001000010000000000000000000000000000000	25-01-025994
CC1=C[C@@H](C)CN(C(=O)c2cc3n(n2)CCC3)C1	ZINC22_334693129	245.32	KMQMUHZRSMQOQE-SNVBAGLBSA-N	00000010100011000001000010000000000000000000000000000000	25-01-025995
CC[C@]12C[C@H]1CN(C(=O)c1n[nH]c3c1CCC3)C2	ZINC22_1772808161	245.32	HLOPUGSXRASPPF-LKFCYVNXSA-N	00100010100000000001010010000000000000000000000000000000	25-01-025996
CC[C@@]12C[C@@H]1CN(C(=O)c1n[nH]c3c1CCC3)C2	ZINC22_1772808162	245.32	HLOPUGSXRASPPF-OTYXRUKQSA-N	00100010100000000001010010000000000000000000000000000000	25-01-025997
CC[C@@]12C[C@H]1CN(C(=O)c1n[nH]c3c1CCC3)C2	ZINC22_1772808163	245.32	HLOPUGSXRASPPF-XPTSAGLGSA-N	00100010100000000001010010000000000000000000000000000000	25-01-025998
CC[C@]12C[C@@H]1CN(C(=O)c1n[nH]c3c1CCC3)C2	ZINC22_1772808164	245.32	HLOPUGSXRASPPF-YMTOWFKASA-N	00100010100000000001010010000000000000000000000000000000	25-01-025999
CC(C1CCOC1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003575,MCULE-8716760814	245.32	HTFRUDKILKBVJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026000
O=C([C@@]12CCC[C@@H]1C2)NCc1cnc2n1CCC2	MCULE-2190969508,EMOLS-id_320034195	245.32	MZQCQCJPCAPBBJ-QMTHXVAHSA-N	00100010100010000001010010000000000000000000000000000000	25-01-026001
O=C([C@@]12CCC[C@@H]1C2)NCc1n[nH]c2c1CCC2	EMOLS-id_318770598	245.32	HYWJRDLAIXLZPK-YMTOWFKASA-N	00100010100010000001010010000000000000000000000000000000	25-01-026002
NCc1ccc(cc1)CC1Sc2c(C1)coc2	PC-id_121361730,SCHEMBL17781221	245.34	JPLJKJRFERZSNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026026
O=C(C1C2C1CCC2)NCc1n[nH]c2c1CCC2	EMOLS-id_320089978,MCULE-3877004038	245.32	HNZYGCURXZHRQV-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-026003
O=C(C1CC2C(C1)C2)NCc1cnc2n1CCC2	EMOLS-id_319002495	245.32	BZEXIMZBVQTCNF-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-026004
O=C(C1(C)CC=CC1)NCc1cnc2n1CCC2	EMOLS-id_319895980,MCULE-7369187962	245.32	UVTLHTWUXLAAEL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026005
O=C(C1(C)CC=CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319576753	245.32	ASPBHVPZVFYJLV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026006
O=C(C1CCC=CC1)NCc1n[nH]c2c1CCC2	MCULE-2999031362,EMOLS-id_320271861	245.32	JZCHFHUMEXANTM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-026007
O=C(c1n[nH]c2c1CCC2)NC1(C)CCC=CC1	EMOLS-id_101515929	245.32	YWPCRVPKBQWAME-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-026008
O=C(CC1C=CCC1)NCc1cnc2n1CCC2	EMOLS-id_319560702	245.32	ZEGHFKHYQFDOAS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026009
O=C(CC1C=CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319789179	245.32	IMOIMJVAPLFTJY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026010
O=C([C@H]1C[C@@H]1C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319863834	245.32	DKLMYFLREJTYOG-MNOVXSKESA-N	00100010100000000001100010000000000000000000000000000000	25-01-026011
CCOC(=O)c1cn2c(n1)SC(N2)SC	SCHEMBL19597797	245.322	PNVBUFRUSQWXIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026012
CC(c1ccn(n1)Cc1nnc2n1CCC2)(C)C	EMOLS-id_319921059,MCULE-5938356228	245.323	QRMSYNCMZOJHPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026013
CC(Cn1ccnc1)NCc1n[nH]c2CCCc12	PC-id_56715994,MCULE-4248110221,EMOLS-id_36452283	245.323	AKJJTBJVEKNXOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026014
CC(C)n1nc(Cn2cccn2)c2c1CN(C)C2	ZINC22_96259161,PC-id_97519248,EMOLS-id_44369872	245.323	NFQCJAREUPNZMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026015
C[C@@H](Cn1ccnc1)NCc1n[nH]c2c1CCC2	ZINC22_67805027	245.323	AKJJTBJVEKNXOA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-026016
C[C@H](Cn1ccnc1)NCc1n[nH]c2c1CCC2	ZINC22_67805028	245.323	AKJJTBJVEKNXOA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026017
n12CCCc1nnc2C(NCc1cn(cc1)C)C	PC-id_66398121	245.323	RVFGYGFXSACYFZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-026018
n12CCCc1nnc2C(NCc1n(ccc1)C)C	PC-id_62132767	245.323	IRTJRHMFZGXBJZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-026019
CCC1CCc2c1c(CNCC(F)F)cs2	PC-id_114749105	245.332	ATLMMNWBLKGECM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026020
FC(CNCc1csc2c1C(C)(C)CC2)F	PC-id_114749087	245.332	HLUGZDPZCOJPDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026021
Cc1ccc(cn1)C(c1sc2c(c1)CCC2)O	PC-id_115796640	245.34	CNPWZIMFKCODAH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026022
Cc1ccncc1C(c1sc2c(c1)CCC2)O	PC-id_115817713	245.34	DCACDQYZWIHRAX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026023
Cc1cncc(c1)C(c1sc2c(c1)CCC2)O	PC-id_113664423	245.34	CZRWMUVZBBBWHB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026024
NCc1ccc(cc1)Cc1sc2c(c1)COC2	PC-id_117836091,SCHEMBL16418547	245.34	ZGZHGTNWGYAOCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026025
OC(c1sc2c(c1)CCC2)Cc1cccnc1	PC-id_115832035	245.34	NTCAUPZGIOKKIZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026027
s1c2c(CCC2)cc1C(O)Cc1ccncc1	PC-id_66460295	245.34	SGOYAYWWMYKMHW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026028
s1c2c(CCC2)cc1C(O)Cc1ncccc1	PC-id_66459891	245.34	RSTNCIXJTDNDPS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026029
s1c2CCC(c2nc1C(O)c1ccccc1)C	PC-id_65046984	245.34	JUMICSIWWGEEQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026030
c12CN(Cc1sc(N)n2)Cc1ccc(cc1)C	PC-id_82194246,MCULE-3460093646	245.343	GKHGGGHZVAGCSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026031
c1(C(NC)c2cccnc2)sc2c(CCC2)n1	MCULE-7096813868,PC-id_61330969	245.343	CNAJUFSVYKNTNH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026032
c1cnc(nc1)CNCc1sc2c(c1)CCC2	EMOLS-id_39290856,PC-id_62700478	245.343	CZCMMBUJKYDYLD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026033
c1ncc(cn1)CNCc1sc2c(c1)CCC2	PC-id_62759936,EMOLS-id_39339280	245.343	JLWAVINTBBHGTQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026034
c1ncc(nc1)CNCc1sc2c(c1)CCC2	PC-id_62762541,EMOLS-id_39338278	245.343	KBSLEDRGGOUFTL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026035
c1(n(nc2CCCc12)C)CSc1ccncc1	ZINC22_1565520184,MCULE-5989754223	245.343	HWRHQRXHQZUHGX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026036
Cc1ccc(cn1)C(c1sc2c(n1)CCC2)N	PC-id_104822866	245.343	VDQNRMJQNYYMCO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026037
Cc1ccc(nn1)NCc1sc2c(c1)CCC2	EMOLS-id_38210320,PC-id_61313114	245.343	LWJONSQYMVSUDS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026038
CC1Cn2c(CCc3ccccc3)nnc2S1	MCULE-4078842025,SPECS-id_AN-153/I219650,EMOLS-id_2267112,ChEMBL-DNDi_CHEMBL1454099,CHEMBL1454099,TIMTEC582789,PC-id_2973202	245.343	YVVIWFGQNRUPFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026039
Cc1cnc(nc1)NCc1sc2c(c1)CCC2	PC-id_63208337,EMOLS-id_39667706	245.343	XGJTXJULOOHRMU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026040
Cc1cnnc(c1)NCc1sc2c(c1)CCC2	PC-id_106549600	245.343	ROLFJRQRXBHVPS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026041
CC1CSc2nnc(CCc3ccccc3)n12	CHEMBL1536216,MCULE-3020287323,PC-id_4289750,EMOLS-id_42697763	245.343	QSUAGNJQFXXFJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026042
Cc1nccnc1NCc1sc2c(c1)CCC2	PC-id_83064058,EMOLS-id_315771981	245.343	JKMNHZFUNSHEFG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026043
Cc1ncnc(c1)NCc1sc2c(c1)CCC2	EMOLS-id_38153376,PC-id_61225508	245.343	SRJHBRWWILTHGU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026044
C[C@@H]1Cn2c(CCc3ccccc3)nnc2S1	PC-id_1249781,ZINC22_1059236	245.343	YVVIWFGQNRUPFH-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026045
C[C@H]1Cn2c(CCc3ccccc3)nnc2S1	ZINC22_1059234,PC-id_1249779	245.343	YVVIWFGQNRUPFH-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-026046
CNC(c1sc2c(c1)CCC2)c1cncnc1	PC-id_113664276	245.343	OAZGJKUNFABHAL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026047
CNC(c1sc2c(c1)CCC2)c1nccnc1	PC-id_113667899	245.343	LCYGFXRHEORVPY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026048
n1ccc(nc1)CNCc1sc2c(c1)CCC2	PC-id_62746940,EMOLS-id_39342072	245.343	PJBPCZGASLNPGG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026049
n1c(CSc2ccccc2N)cn2CCCc12	ZINC22_218892620,MCULE-6356163074,PC-id_100029153,EMOLS-id_50607617	245.343	OBJXYADEMLVIKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026050
Nc1cccc(n1)NCc1sc2c(c1)CCC2	PC-id_80647617,EMOLS-id_314477055	245.343	OQTFYZKAIJZMMU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026051
Nc1ccc(nc1)NCc1sc2c(c1)CCC2	PC-id_108175682	245.343	ZOTUBYDBEAENOK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026052
Nc1cccnc1NCc1sc2c(c1)CCC2	PC-id_114051766	245.343	LVCXBWAETDFBGQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026053
Nc1ccnc(c1)NCc1sc2c(c1)CCC2	PC-id_114053036	245.343	JRMIGPFBGGVLJE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026054
Nc1cnccc1NCc1sc2c(c1)CCC2	PC-id_108194911	245.343	RIFSDGRADQIVIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026055
Nc1nccc(c1)NCc1sc2c(c1)CCC2	PC-id_113368318,EMOLS-id_314451158	245.343	GNQOFJXPQBUCTA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026056
NNC(c1sc2c(c1)CCC2)c1cccnc1	PC-id_105287041	245.343	DAKIBPGVNBHWDH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026057
s1c2CCCc2nc1CC(N)c1cccnc1	PC-id_82066897	245.343	FMFOLJFXHVXZCF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026058
s1c2CCCc2nc1CC(N)c1ccncc1	PC-id_82066898	245.343	STDOTRBTFWPIFA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026059
s1c2CCCc2nc1CC(N)c1ncccc1	PC-id_82066900	245.343	ZBHFIFVAVIJCDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026060
s1c2CCCc2nc1C(N)c1c(ccnc1)C	PC-id_81742515	245.343	QGURVSNKGGDYKJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026061
s1c2CCCc2nc1C(N)c1ccc(N)cc1	PC-id_83302706	245.343	RNDJVVTVFRWYDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026062
s1c2CN(Cc2nc1N)Cc1cc(ccc1)C	PC-id_82194343	245.343	VGWBESIIHVLREV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026063
s1c2CN(Cc2nc1N)Cc1c(cccc1)C	PC-id_82194369	245.343	FYGFVKYKBTWGQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026064
s1c2CN(Cc2nc1N)CCc1ccccc1	PC-id_82194302	245.343	ROMZUALXIFHZEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026065
S1C[C@@H](n2c(nnc12)CCc1ccccc1)C	PC-id_712071	245.343	QSUAGNJQFXXFJQ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-026066
S1C[C@H](n2c(nnc12)CCc1ccccc1)C	PC-id_712072	245.343	QSUAGNJQFXXFJQ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026067
s1c(CNc2ccnc(C)n2)cc2CCCc12	EMOLS-id_39361473,PC-id_55112619,MCULE-8276920953	245.343	XDXQQLNTXVZIDB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026068
s1c(CNc2nccc(C)n2)cc2CCCc12	PC-id_62960535,MCULE-2657141155,EMOLS-id_39493949	245.343	ORHSCDIMXZEFRP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026069
C=Cc1cc(n2c1CCC2(C)C)C(=O)C(C)(C)C	PC-id_101095373	245.36	PLOKFFLQBYZTIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026070
C=Cc1cc(n2c1CC(C2)(C)C)C(=O)C(C)(C)C	PC-id_101095375	245.36	XXFCMJMWUPPSAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026071
O=Cc1cc2c([nH]1)CCC2CCC1CCCCC1	PC-id_144126410	245.36	RRKMRQROKYUBIK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-026072
O=C(c1c(c2n(CC(C2)(C)C)c1)C=C)C(C)(C)C	PC-id_23245849	245.36	DWLSKPPLCFZAOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026073
O=Cc1[nH]c2c(c1)CCC2CCC1CCCCC1	PC-id_143725810	245.36	PXOPEZDEHGLNSB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-026074
O=Cc1[nH]c2c(c1)CC[C@H]2CCC1CCCCC1	PC-id_144126366	245.36	PXOPEZDEHGLNSB-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-026075
CCCC1(CN)Cc2c(S1(=O)=O)scc2	SCHEMBL9458953,PC-id_19759913	245.362	FWIUDKQCFFJRNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026076
CN(C1(C)C(C)c2c(S1(=O)=O)scc2)C	SCHEMBL9711089,PC-id_67912738	245.362	NHJCXISFPBEWPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026077
CN(CC1(C)Cc2c(S1(=O)=O)scc2)C	PC-id_19759901,SCHEMBL9458913	245.362	YMZAIEIZCXLHLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026078
s1c2c(CCC2)cc1CNS(=O)(=O)CC	PC-id_61940737	245.362	IDQUMCSAHHSEES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026079
S1(=O)(=O)C(c2c(C1)csc2CN)C(C)C	PC-id_82622675	245.362	KVVVDBDLCDUJSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026080
s1c(CNC2C3C(C2)CC=C3)cc2c1CCC2	PC-id_61207221	245.383	WCUVIPPWSUTGSE-UHFFFAOYSA-N	00001011100000000000001010000000000000000000000000000000	25-01-026081
CCCCCc1c(CCCCC)cc2n1CC=C2	SCHEMBL6528545,PC-id_69813906	245.403	UMXPCIZWASRXEF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026082
CCCCCC1(CCCCC)C=Cn2c1ccc2	SCHEMBL6528543,PC-id_69813905	245.403	ODZCNWNYYFWEOA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026083
CCCCCC1=Cn2c(C1CCCCC)ccc2	SCHEMBL6528546,PC-id_69813907	245.403	JGZGXCYRERCVQR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026084
ClC1c2ns[s+]c2C(=C1Cl)Cl	PC-id_9970929	245.557	RKEFBWQZVAIYGX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026085
C1COc2c(c(nn12)C(=O)NCCCO)Cl	PC-id_91960028	245.663	BWOGAXXXCNQTGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026086
CC(CNC(=O)c1nn2CCOc2c1Cl)O	PC-id_91960034	245.663	OBIKBXQWTDHBJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026087
CN(CCO)C(=O)c1nn2CCOc2c1Cl	PC-id_91960040	245.663	CJOIQJDQGKAAAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026088
Clc1cc2n(c1C(=O)c1ccccc1)CCC2	PC-id_70587072,SCHEMBL11443096	245.704	PFBLSVZQDAKRMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026089
Clc1ccc(cc1)/C=C/c1nnc2n1CCC2	PC-id_101335048	245.707	OLGWMVDGONSISR-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026090
c12CN(Cc1sc(Cl)c2C(=O)OCC)C	EMOLS-id_331064873,MCULE-7460851888	245.726	JCKBSMWMEHYXTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026091
c1(C(=O)OCC)sc2CN(Cc2c1Cl)C	MCULE-6248256453,EMOLS-id_330874438	245.726	PCRVKAZWSAIJCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026092
CCOC(=O)CN1Cc2c(C1)csc2Cl	SCHEMBL9183611,PC-id_18947050	245.726	IWCAWSGNBIDKGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026093
Clc1sc2CCC(NCC(=O)OC)c2c1	EMOLS-id_313538636,PC-id_81252562	245.726	QOMUEOMJFZKFMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026094
Clc1sc2c(C(NCCC(=O)O)CC2)c1	EMOLS-id_313544130,PC-id_81251717	245.726	ZJLIPVNYQNPXHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026095
Clc1sc2c(C(NC(C)C(=O)O)CC2)c1	PC-id_81251615	245.726	NNNADKNGYCMJSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026096
CCC(CNC1CCc2c1cc(s2)Cl)O	PC-id_116238249	245.769	TWQZULRWEBVYRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026097
CC[C@@H](NC1CCc2c1cc(s2)Cl)CO	PC-id_103922419	245.769	IHFCATSWZYQHGC-YOXFSPIKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026098
CC[C@H](NC1CCc2c1cc(s2)Cl)CO	PC-id_104980442	245.769	IHFCATSWZYQHGC-JAVCKPHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-026099
CC(CNC1CCc2c1cc(s2)Cl)(O)C	EMOLS-id_313684812,PC-id_81252920	245.769	QNHYHMIVHXYUFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026100
CC(CONC1CCc2c1cc(s2)Cl)C	EMOLS-id_313526652,PC-id_82708896	245.769	WIYBCVGZTFIQCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026101
C[C@@H](NC1CCc2c1cc(s2)Cl)CCO	PC-id_103871597	245.769	CERKRUBQVLWXLV-YOXFSPIKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026102
CCOCCNC1CCc2c1cc(s2)Cl	EMOLS-id_315491277,PC-id_81252277	245.769	OXAKMSCMEHIHSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026103
CC(OC)CNC1CCc2c1cc(s2)Cl	PC-id_102696826	245.769	PNRWIKSBBQBWSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026104
CC(ONC1CCc2c1cc(s2)Cl)(C)C	EMOLS-id_313706910,PC-id_82720190	245.769	RLUFFQQTSBUECM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026105
Clc1sc2c(C(NC(CC)CO)CC2)c1	PC-id_81251714	245.769	IHFCATSWZYQHGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026106
Clc1sc2c(C(NCCCOC)CC2)c1	EMOLS-id_315161500,PC-id_81252988	245.769	VUFRURBEUIUJCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026107
Clc1sc2c(C(NCCC(O)C)CC2)c1	PC-id_81252606	245.769	MHIBLCNDLKHQOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026108
Clc1sc2c(C(NCC(CO)C)CC2)c1	PC-id_81252813	245.769	KPGDWLDRDHEDOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026109
Clc1sc2c(C(NC(CCO)C)CC2)c1	PC-id_83177493	245.769	CERKRUBQVLWXLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026110
Clc1sc2c(C(NC(COC)C)CC2)c1	PC-id_81252465	245.769	LEGGZNYAJRUABV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026111
NCc1c(Cl)sc2c1C(C)(C)OC2(C)C	PC-id_114748607	245.769	HKSFFVUAQXURAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026112
OCCCCNC1CCc2c1cc(s2)Cl	PC-id_106840738	245.769	PMVKBYLOWOAFCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026113
Clc1cc2c(s1)CCC2NC1CSC1	EMOLS-id_266579910	245.792	UYRPCNVLMMZZIH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-026114
C1C(=O)Nc2c(c(nn12)C(=O)O)Br	PC-id_136329539	246.018	KIDUDKVOZQUVIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026115
Brc1c2CC[C@@H](O)c2[nH]c1C(=O)O	SCHEMBL12777408,PC-id_57659871	246.058	APZHOFCVLJODHX-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026116
Brc1c2CCC(O)c2[nH]c1C(=O)O	SCHEMBL8153553,PC-id_70289713	246.058	APZHOFCVLJODHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026117
Brc1c2C[C@@H](O)Cc2[nH]c1C(=O)O	PC-id_57659906,SCHEMBL12777407	246.058	JRLHWCALSDAYHO-GSVOUGTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026118
Brc1c2CC(O)Cc2[nH]c1C(=O)O	PC-id_70289155,SCHEMBL8151495	246.058	JRLHWCALSDAYHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026119
Brc1c2[C@@H](O)CCc2[nH]c1C(=O)O	SCHEMBL12777398,PC-id_57659945	246.058	DCFUFFPTLLUOTH-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026120
Brc1c2C(O)CCc2[nH]c1C(=O)O	PC-id_70289716,SCHEMBL8153559	246.058	DCFUFFPTLLUOTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026121
Brc1[nH]cc2C(O)(CCc12)C(=O)O	PC-id_83912901	246.058	CZTCVUIHOQUEMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026122
Brc1oc2c(C(N)(CC2)C(=O)O)c1	PC-id_83912903	246.058	WMCLIURRSHNJKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026123
Brc1oc2C(N)(CCc2c1)C(=O)O	PC-id_83912902	246.058	KHRTUVGCKORPOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026124
Brc1n[nH]c2CCC(N)(c12)C(=O)O	PC-id_83912904	246.061	ACKHMOJTDCTIRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026125
c12c(Br)cnn1CCN2CC(=O)O	EMOLS-id_323990929,MCULE-4077434712	246.061	GXMKNJRQVSVQIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026126
c1(C(=O)O)c(Br)nn2CCN(C)c12	EMOLS-id_317875956,MCULE-7926291315	246.061	JJRRJCGBCUDKSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026127
c1(C(=O)OC)c(Br)nn2CCNc12	PC-id_137226453,MCULE-1844208839,EMOLS-id_317882354	246.061	CSRATKWMQRPUNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026128
CN1C(Cc2c(Br)[nH]nc12)C(=O)O	EMOLS-id_337164757	246.061	PNOISYSYUATRGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026129
COC(=O)c1nn2CCNc2c1Br	PC-id_137238549	246.061	JOFXPLPLKVEIOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026130
Brc1cc2c(s1)C(=O)N(C2=O)C	PC-id_118424192,SCHEMBL17148355	246.081	AGXGNCHUCKQGFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026131
Brc1cc2c(s1)N=C(C2)C(=O)O	PC-id_142650823	246.081	FROLZXMSIBHIET-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026132
Brc1sc(c2c1CNC2=O)C=O	PC-id_82622687	246.081	HFJZZOJDABIJHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026133
Brc1sc(c2CNC(=O)c12)C=O	PC-id_82622686	246.081	MXFFNJPKXHDNKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026134
CN1C(=O)c2c(C1=O)c(sc2)Br	SCHEMBL14897557,PC-id_89527420	246.081	QNHUHCHCKDJNCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026135
O=Cc1sc(c2c1C(=O)CN2)Br	PC-id_97773973	246.081	NRXJIRFVENWCGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026136
Brc1nc2c(s1)N=C(C2)C(=O)N	SCHEMBL3177001,PC-id_68538958	246.084	DGEJSZSFOKNRJE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026137
Brc1oc2c(C(O)(CC2)CCN)c1	PC-id_83912908	246.101	HUAORPIXQHXVFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026138
Brc1oc2C(O)(CCc2c1)CCN	PC-id_83912907	246.101	QUUVJEWVXWLIJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026139
Brc1cnn2C(CN(C)C)COc12	MCULE-7776093364,EMOLS-id_337424859	246.104	UGZBXMNLPORVES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026140
Brc1n(nc2c1C(N)(CC2)CO)C	PC-id_83912917	246.104	CWQDZZRVOATRTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026141
Brc1nn(c2c1C(N)(CC2)CO)C	PC-id_83912918	246.104	LHYDWNYRDUSIND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026142
Brc1n(nc2c1C(O)(CC2)CN)C	PC-id_83912912	246.104	MQYHNPLLMSXSCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026143
Brc1nn(c2c1C(O)(CC2)CN)C	PC-id_83912913	246.104	JDMSQCILGBNPPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026144
Brc1n[nH]c2c1C(O)(CC2)CCN	PC-id_83912915	246.104	VWVURDVQYDTEJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026145
c1(C(CN)O)n2CCCc2nc1Br	MCULE-2533478976	246.104	STDKGZQPDVBMFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026146
CN(C)C[C@H]1COc2c(Br)cnn12	ZINC22_2113474307	246.104	UGZBXMNLPORVES-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-026147
CN(C)C[C@@H]1COc2c(Br)cnn12	ZINC22_2113474308	246.104	UGZBXMNLPORVES-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026148
Brc1c2N(CC(=O)c2sc1C)C	PC-id_82384740	246.124	SRWDYLJFKKJMNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026149
Brc1sc2CCC(c2n1)C(=O)C	PC-id_57907400,SCHEMBL11983472	246.124	MFAMXMXBIRPALQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026150
Brc1sc2C(CC(=O)c2c1)CN	PC-id_84049324	246.124	PZFZMRVABCEVMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026151
Brc1sc(c2CN(Cc12)C)C=O	PC-id_82384742	246.124	PPOKYQJVKMORKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026152
c12CN(Cc1sc(Br)c2C=O)C	MCULE-6039549525,EMOLS-id_331066152	246.124	GBVYBOYUALDJKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026153
c1(C(=O)N)c2CCCc2sc1Br	MCULE-3297959993,EMOLS-id_331060519	246.124	PZOQPYRSLMJWOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026154
c1(C(=O)N)c(Br)c2c(CCC2)s1	EMOLS-id_330869071,MCULE-3150762458	246.124	HLXYYPWPLZPDEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026155
CC1(C)NC(=O)c2cc(Br)sc12	PC-id_121408854,MCULE-3242409894,ZINC22_584642585,EMOLS-id_110790263,SCHEMBL17837243	246.124	KMSGORGYCMNQCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026156
CC(=O)N1CCc2c1c(Br)sc2	PC-id_97773956	246.124	FCKHWTICRXQYOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026157
CON=C1CCc2c1cc(s2)Br	EMOLS-id_114804285	246.124	DGBRFYPCWPFMBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026158
O=Cc1sc(c2c1CCN2C)Br	PC-id_97773958	246.124	LAEMPCWJRZIUKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026159
Brc1c2CSCc2sc1C#N	MCULE-7270924581,EMOLS-id_330874690	246.147	MOMUWWPSSXNFRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026160
Brc1sc2CSCc2c1C#N	MCULE-6192307035,EMOLS-id_331061035	246.147	YHFFMMYYIKHTBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026161
CC#CC(=O)NC(C1=NN=C2N1CCC2)C(C)C	PC-id_154803709,MCULE-5298149679	246.148	CGMOESHJFNUQQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026162
Brc1c2CCCc2sc1CCN	PC-id_84803150	246.167	IYTKOKLLJBOOMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026163
Brc1c2CCCc2sc1C(N)C	PC-id_84803149	246.167	OMKLFOHFVGLCMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026164
Brc1c([nH]c2c1CSC2)C(C)C	PC-id_84803139	246.167	NNPSQGRDVKYXBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026165
Brc1nc2c(s1)C(CC2C)(C)C	EMOLS-id_96237223,PC-id_106664603	246.167	BGCDHNLASDFHFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026166
Brc1sc2c(c1N)C(CC2)(C)C	EMOLS-id_96535282,PC-id_121599862	246.167	PMZZEOAVHKITHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026167
Brc1sc2C(CCc2c1)CCN	PC-id_83912922	246.167	URVALCFLRBGYSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026168
Brc1sc2C(CCc2c1)CNC	PC-id_83912924	246.167	JHJIPIFVOILOBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026169
Brc1sc2c(C(CC2)CCN)c1	PC-id_83912923	246.167	PJRQGYMJAVHWEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026170
Brc1sc2c(C(CC2)CNC)c1	PC-id_83912925	246.167	ABHICKRTVWRLBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026171
Brc1sc2CCC(C(C)C)c2n1	SCHEMBL12862760,PC-id_58125076	246.167	KYFUMZPGGBPZLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026172
c12CCCc1sc(CNC)c2Br	EMOLS-id_330869327,PC-id_84803142,MCULE-7446749063	246.167	OUVMBINMMOAIQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026173
c1(CNC)c2CCCc2sc1Br	MCULE-5911775123,EMOLS-id_331060775	246.167	NEEKSNMZDOJQBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026174
CCC1CCc2c1c(N)c(s2)Br	PC-id_114749227,EMOLS-id_96535270	246.167	VXCYTBGPCZOYGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026175
CCNC1CCc2c1cc(s2)Br	EMOLS-id_96538088	246.167	CTUHEKONFDWOJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026176
CN(c1sc2c(c1Br)CCC2)C	PC-id_97735302	246.167	OQMPWRGHVPEAHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026177
NCc1c(Br)sc2c1C(C)CC2	PC-id_114748658,EMOLS-id_96535393	246.167	GZHHESHNBMPASN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026178
Cc1c2c(cs1)C(C(C2(F)F)(F)F)(F)F	PC-id_88911679,SCHEMBL12394121	246.173	UMHMNRCLYFPSAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026179
FC(F)(F)c1oc2c(CCC2)c1/C=C/C(=O)O	PC-id_83610582	246.183	BZEONXZIQCBNNO-SNAWJCMRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026180
c12CN(Cc1nn(CC(F)F)c2N)C(=O)OC	MCULE-5897084465,EMOLS-id_324339301	246.214	YULSUEYIPGGNTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026181
CC(n1nc2CCC(C)c2c1C=O)C(F)(F)F	MCULE-3919794031,EMOLS-id_330984125	246.229	URMBVGWGEULFQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026182
CC(n1nc(C=O)c2C(C)CCc12)C(F)(F)F	MCULE-9311636941,EMOLS-id_331004402	246.229	CZPDADXYJMRROV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026183
Fc1cccc(c1)C(=O)Nc1onc2c1CCC2	ChEMBL-DNDi_CHEMBL2093642,PC-id_16942278,CoCoCo_5123826	246.237	DQIMJEOOASREMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026184
Fc1ccc(cc1)C(=O)Nc1onc2c1CCC2	MCULE-8487949163,PC-id_16942277,CoCoCo_5123825,EMOLS-id_12336411	246.237	AEIHKOGKGBLYAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026185
O=C(Nc1ccc(F)nc1)c1occ2c1CCC2	MCULE-6921030646,EMOLS-id_324017934,ZINC22_802767888,PC-id_146086442	246.237	UOWQVIOSKDFHDS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026186
Fc1ccc(cc1)NC(=O)c1nn2c(c1)NCC2	SCHEMBL20852347,PC-id_138502483	246.24	UVDJGOWCRKJZED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026187
Fc1ccc(C(=O)c2nnn3CCN(c23)C)cc1	PC-id_25050399	246.24	PJGIDIRJGXGJOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026188
OCCn1nc2c(c1C(=O)O)CS(=O)(=O)C2	PC-id_105506330	246.24	MOBBLXPFOKAJJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026189
OCCn1nc(c2c1CS(=O)(=O)C2)C(=O)O	PC-id_105506331	246.24	BTWUHZZLJQXIGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026190
O=C(N1CCn2c1ncc2)Cc1ncccc1F	EMOLS-id_319811586	246.24	NILTYMSYAVTSBR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026191
O=C(Nc1ccc(F)nc1)c1cnn2c1CCC2	PC-id_146092198,MCULE-1055585201,ZINC22_294984613,EMOLS-id_324033572	246.24	OVZXVEXPQKNEJO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026192
OC(=O)CCn1[nH]c2c(c1=O)CS(=O)(=O)C2	PC-id_105506336	246.24	OVVDEEWVLFMZMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026193
S1(=O)(=O)NC(=O)c2c1sc(c2C)C(=O)[O-]	PC-id_7063388	246.24	WKVNXWCPKKAPFQ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-026194
C=C/C=CC=C(C1COc2n1c(cn2)C(=O)O)/C	PC-id_142091418	246.262	CYPFYYCKTVHTHI-KMOPYBJPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026195
O1C(n2c(C1)c(O)n(c2=O)Cc1ccccc1)C	PC-id_54375157	246.262	UVZBBMXGQWVBQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026196
N#Cc1cccc(c1)C#Cc1cn2c(c1)C(=O)CC2	PC-id_71117975,SCHEMBL14249498	246.263	ZXWHFSHBTYSUMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026197
c12CN(Cc1nn(CC1CC1)c2C#N)C(=O)OC	EMOLS-id_324357992,MCULE-2747325610	246.265	KQEZZSWSVHBZFZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026198
c1(C(=O)Nc2cc(on2)C)c2CCCc2n(C)n1	EMOLS-id_179745526,PC-id_110389154,MCULE-8336482607	246.265	GTIMQSSSPJJSGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026199
Cc1ccc(o1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_35693001,PC-id_53514973	246.265	KHJOFHORELDPKR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026200
Cc1cc(C(=O)Nc2c3c(nn2C)CCC3)no1	MCULE-2850247934,ZINC22_23135769,EMOLS-id_24910462,CoCoCo_5273054,PC-id_30859195	246.265	NOGXTIRZWIWTGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026201
Cc1cc(C(=O)Nc2c3c(nn2C)CCC3)on1	PC-id_30859199,CoCoCo_5273056,ZINC22_23135774,EMOLS-id_24910466,MCULE-7790861935	246.265	SQRSQKPZHFZFNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026202
Cc1ccoc1C(=O)NCc1nnc2n1CCC2	ZINC22_48421277,PC-id_47137279,EMOLS-id_35688532,MCULE-7179864295	246.265	KNRMONDGEPOSCH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026203
Cc1coc(c1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316673206	246.265	WVVMUKUBPUCMOT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026204
Cc1nc(C)c(C(=O)N=c2cc3n([nH]2)CCC3)o1	EMOLS-id_324067182,MCULE-3101714894,ZINC22_1875274757,PC-id_146105906	246.265	YEVKQUAUBGVPHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026205
Cc1[nH]ccc1C(=O)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_1875313344	246.265	PFMAQJINWNEDFW-LLVKDONJSA-N	00000010110000000001000010000000000000000000000000000000	25-01-026206
Cc1[nH]ccc1C(=O)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_1875313347	246.265	PFMAQJINWNEDFW-NSHDSACASA-N	00000010110000000001000010000000000000000000000000000000	25-01-026207
Cc1noc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319589136	246.265	OEUXKPRYEQYKKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026208
Cc1occc1C(=O)NCc1nnc2n1CCC2	MCULE-7511207189,ZINC22_40481224,PC-id_45802636,EMOLS-id_31867770,CoCoCo_4491086	246.265	DFBCWIWJNZGCCM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026209
Cc1occ(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320324996,MCULE-3174287162	246.265	BMCQNZGSLAEEQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026210
Cc1occ(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320318307,MCULE-4032932672	246.265	QXAGNNFSSWCKGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026211
Cc1onc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319471426	246.265	ZHVMNVONOBVLNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026212
Cc1onc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319112806	246.265	DSPKCYVCHNPMFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026213
CC(c1nnc2n1CCC2)NC(=O)c1ccco1	EMOLS-id_31936104,PC-id_45819100,MCULE-1809169032	246.265	DYVCBTMNMVNYLZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026214
CC1CCc2nn(Cc3ccc(F)cc3)c(O)c12	EMOLS-id_331003818,MCULE-3238242647	246.28	GQNHAQQZUMJATG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026259
CC(c1nnc2n1CCC2)NC(=O)c1cocc1	EMOLS-id_31875232,PC-id_45804920,MCULE-8535322628	246.265	KMXLJYFIOVEURW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026215
CCc1onc(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319311411	246.265	IROXIEDGRAEALE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026216
CCc1onc(c1)C(=O)NC1CCn2c1ncc2	MCULE-1334163077,EMOLS-id_316481437	246.265	UWWZBHQMQUEFMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026217
C[C@H](NC(=O)c1ccoc1)c1nnc2n1CCC2	ZINC22_44896711,PC-id_94018280	246.265	KMXLJYFIOVEURW-QMMMGPOBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026218
C[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCC2	ZINC22_44896713,PC-id_94018281	246.265	KMXLJYFIOVEURW-MRVPVSSYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026219
Cn1nc2c(c1NC(=O)c1conc1C)CCC2	EMOLS-id_319537060	246.265	ISNZZFMYMPXWSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026220
CN(Cc1nnc2n1CCC2)C(=O)c1ccco1	EMOLS-id_35688606,MCULE-4482742680,PC-id_53500262,ZINC22_65398723	246.265	BMJBSGDGPBRKDN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026221
CN(Cc1nnc2n1CCC2)C(=O)c1ccoc1	ZINC22_54539208,EMOLS-id_35688634,PC-id_53500840,MCULE-1002491530	246.265	VQWZGIRURAJIRG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026222
COc1ncccc1OCc1nnc2n1CCC2	EMOLS-id_319165957	246.265	FTPTVOTXTPCKSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026223
N#CC1(CCC1)N(C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99806735	246.265	ZTCIDLOZNSMNGL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026224
N#CC1COCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111216557	246.265	RNUOMDUEXROLSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026225
N#CC1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110726084	246.265	MPNVFEPAMBKKQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026226
O=C(c1cn2c(n1)CCC2)NCc1cnoc1C	EMOLS-id_319673227	246.265	FHRZCJRHZKSIJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026227
O=C(c1cnc2n1CCC2)NCc1cnoc1C	EMOLS-id_319462702	246.265	CPJWWHYDMGOLQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026228
O=C(c1cnn2c1CCC2)NCc1cnoc1C	EMOLS-id_318987092	246.265	FZDWOXYTVGQXOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026229
O=C(c1conc1C)NCc1cnc2n1CCC2	EMOLS-id_319022834	246.265	SZIFFTNMTZJDIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026230
O=C(C1NCc2c1c[nH]n2)N(Cc1ccco1)C	EMOLS-id_319225859	246.265	SXMSPEJULCXPFZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026231
O=C(C1NCc2c1c[nH]n2)NCc1ccc(o1)C	MCULE-6621772241,EMOLS-id_320059579	246.265	GHCICFBGRVHGMA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026232
O=C(c1ncoc1C)NCc1cnc2n1CCC2	EMOLS-id_319218150	246.265	CDDNCFFTBRADAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026233
O=C(Cc1conc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319661369	246.265	WHCBQYIIMVKTLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026234
O=C(NCCc1nnc2n1CCC2)c1ccoc1	EMOLS-id_35706188,MCULE-3674725089,ZINC22_42502779,PC-id_53505492	246.265	GIEWHNDAENXTQN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026235
c1(C(=O)NCCn2ccnn2)c2CCCc2n[nH]1	PC-id_119074717,ZINC22_426730459,EMOLS-id_82743155,MCULE-5027922162	246.268	TTWBKZJRWRNXJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026236
Cc1nc(=NC(=O)c2n[nH]c3c2CCC3)n(C)[nH]1	EMOLS-id_99521948,MCULE-9187255886,ZINC22_329856174	246.268	UOKBMXZCMKIXRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026237
CCc1n[nH]c(c1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319765805	246.268	IZPKNFSCFDKRJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026238
CCn1ncc(c1)NC(=O)C1NCc2c1c[nH]n2	MCULE-9263167203,EMOLS-id_320298382	246.268	KAWTUDAKHLYRNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026239
Cn1cc(C(=O)Nc2c3c(nn2C)CCC3)nn1	MCULE-2759425259,PC-id_136542985,EMOLS-id_316821199,ZINC22_673568740	246.268	DIMUFAYXDAFIEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026240
Cn1cnc(n1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98547075	246.268	QABLMIRNNBUQOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026241
Cn1cnc(n1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_99550832	246.268	KYESJUCCVPXGEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026242
Cn1nc2c(c1NC(=O)c1cnnn1C)CCC2	EMOLS-id_97736547	246.268	GYESNWLIDONTDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026243
Cn1ncc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319759320	246.268	ATQGIIFIAJGAMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026244
O=C(c1n[nH]c2c1CCC2)Nc1nnc(n1C)C	EMOLS-id_111040651	246.268	DRZTYEVWIZRJFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026245
O=C(Cn1nncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319251711	246.268	KVMKJJHIYXCDCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026246
O=C(N1CCn2c1ccn2)CCc1cnn(n1)C	EMOLS-id_320145528,MCULE-7639263896	246.268	ZRSNTFKXLANPKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026247
O=C(N1CCn2c1ncc2)Nc1c(C)cnn1C	EMOLS-id_319282356	246.268	UHLNLCZRISKUSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026248
O=C(N(Cc1n2CCCc2nn1)C)c1c[nH]nc1	PC-id_54876891	246.268	ACTLLBGYTVDBDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026249
O=C(NC(c1n2CCCc2nn1)C)c1c[nH]nc1	PC-id_61260329	246.268	WKNBFKCTQGJBOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026250
O=C(N(Cc1n2CCCc2nn1)C)n1ccnc1	PC-id_81257184	246.268	QVANDYTYWNSVMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026251
O=C(NC(c1n2CCCc2nn1)C)n1ccnc1	PC-id_81257818	246.268	BDDVIMCFZMWLTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026252
OC(=O)CC(C(F)F)c1cc2CCCc2s1	EMOLS-id_313986371,MCULE-7300231632	246.274	MEWISGAWUUXLPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026253
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)F	EMOLS-id_331018989,MCULE-4021399342	246.28	ZIACAGYMBPVNDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026254
CC1CCc2c1c(O)nn2Cc1ccccc1F	MCULE-3775613628,EMOLS-id_331021549	246.28	IZRQANHTTAPRSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026255
CC1CCc2c1c(O)nn2Cc1cccc(F)c1	EMOLS-id_331020014,MCULE-9533596165	246.28	UNYPIPOBGNELNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026256
CC1CCc2nn(Cc3ccccc3F)c(O)c12	MCULE-7111292187,EMOLS-id_331002283	246.28	MUBZRLAGSLLDDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026257
CC1CCc2nn(Cc3cccc(F)c3)c(O)c12	MCULE-4096866801,EMOLS-id_331004843	246.28	SRYJSFZEQGJACA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026258
Fc1cccc(c1N)CNC1CCn2c1ncc2	EMOLS-id_319883188,MCULE-3437115306	246.283	SPWYLVCZKSUADA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026260
C1c2c(CN1C(=O)Oc1ccccc1)scn2	PC-id_135156624,SCHEMBL20305160	246.285	PKUHEELKEWKRGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026261
COc1cc[nH]c1C=C1C(=O)Nc2c1ccs2	PC-id_22976036,SCHEMBL6627943	246.285	YMOYTSSMKXZCFR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026262
COc1cc[nH]c1/C=C/1C(=O)Nc2c1ccs2	SCHEMBL6627937	246.285	YMOYTSSMKXZCFR-VURMDHGXSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026263
COc1cc[nH]c1/C=C
/C(=O)Nc2c1ccs2	SCHEMBL6627941,PC-id_18626975	246.285	YMOYTSSMKXZCFR-SOFGYWHQSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026264
OCc1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL6627954	246.285	NYPJWNPZSOVSGJ-WTKPLQERSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026265
OCc1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	SCHEMBL6627958,PC-id_18627002	246.285	NYPJWNPZSOVSGJ-RUDMXATFSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026266
OCc1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	SCHEMBL6627963,PC-id_67551253	246.285	NYPJWNPZSOVSGJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026267
s1c2NC(=O)C(=Cc3[nH]cc(OC)c3)c2cc1	PC-id_85044461	246.285	XNJPJTGSDYGIQO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026268
S1Cc2c(noc2NC(=O)c2ccccc2)C1	PC-id_49720071	246.285	MXRVYFASRDTUBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026269
Cc1nc2s/c(=Cc3cccn3C)/c(=O)n2n1	STOCK7S-51671,EMOLS-id_50595390	246.288	YKUVWNAENAVNHH-TWGQIWQCSA-N	00000000110000000001000010000000000000000000000000000000	25-01-026270
CCc1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324841708	246.288	JEENXQWJVPPWAM-VURMDHGXSA-N	00000000110000000001000010000000000000000000000000000000	25-01-026271
CCSc1n/c(=C/c2ccco2)/c2n1cnn2	CoCoCo_5758794	246.288	LVCDRAQQNKUJGR-RMKNXTFCSA-N	00000000101000000001000010000000000000000000000000000000	25-01-026272
CCSc1n/c(=Cc2ccco2)/c2n1cnn2	PC-id_5469747,NSC691985,CoCoCo_5758793	246.288	LVCDRAQQNKUJGR-TWGQIWQCSA-N	00000000101000000001000010000000000000000000000000000000	25-01-026273
n12nc(nc1sc(=Cc1cccn1C)c2=O)C	MCULE-8100580972,PC-id_91821398	246.288	YKUVWNAENAVNHH-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-026274
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CC	MCULE-9667598707	246.288	JEENXQWJVPPWAM-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-026275
O=C(c1ccccc1)Nc1nnc2n1CCS2	PC-id_16034760,CoCoCo_2590471	246.288	WHLPUDGCKVVGKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026276
s1c2CCCc2nc1NC(=O)c1nccnc1	PC-id_33039699	246.288	BYYVOTLBEONPPF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026277
s1c2CNCc2nc1NC(=O)c1cccnc1	PC-id_82194050	246.288	USRJRLFYZULNPX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026278
s1c2CN(Cc2nc1N)C(=O)c1cccnc1	PC-id_82194163	246.288	HRRZJJVXJVNXIE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026279
s1c2CNCc2nc1NC(=O)c1ccncc1	PC-id_82194111	246.288	PLOCFRRUTNHBMK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026280
s1c2CN(Cc2nc1N)C(=O)c1ccncc1	PC-id_82194222	246.288	PHRGSTPOARTEPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026281
s1c2CNCc2nc1NC(=O)c1ncccc1	PC-id_82194079	246.288	WLCZJPGGGOJSRX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026282
s1c2CN(Cc2nc1N)C(=O)c1ncccc1	PC-id_82194189	246.288	ZHOCMXSXZBGPJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026283
S(c1n2c(nnc2)c(=Cc2occc2)n1)CC	PC-id_392113	246.288	LVCDRAQQNKUJGR-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-026284
Fc1ccc(cc1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37654019,PC-id_43462647	246.3	LJNADCCRABFCSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026285
Fc1cccc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114962735	246.3	HQZWSJIVENMWHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026286
Fc1ccccc1C(=O)c1sc2c(c1)CCC2	PC-id_114966008	246.3	RDJRCACXIBBKNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026287
CC(C)(C)n1nc2CCCc2c1S(=O)(=O)F	EMOLS-id_208137075,MCULE-9071963000	246.302	GNMZOLWGNOJQQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026288
COCCC1C(=O)c2c(S1(=O)=O)scc2	SCHEMBL9651685,PC-id_21735812	246.303	WTSIASRTQPVYMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026289
S1(=O)(=O)Cc2c(sc(c2C)C(=O)OC)C1	PC-id_11032167	246.303	KHHRKLDYTGKDDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026290
S1(=O)(=O)C(c2sccc2C1)C(=O)OCC	PC-id_15626845	246.303	BGNMCXVLSYNWPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026291
S(=O)(=O)(c1sc(c2c1CCC2)C(=O)O)C	PC-id_83671307	246.303	JXTKPVMGHRKULJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026292
CCCCCC1=NC(=O)c2c([nH]c(c12)O)CC=C	PC-id_136381948	246.305	DEFNLJKLQQHKQT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026293
CCOC(=O)c1cc2CC(C)(C)Cc2n1CC#N	PC-id_68208418,EMOLS-id_317758442,MCULE-1871019786,SCHEMBL12177850	246.305	XUQJWUNPFYATMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026294
CCOC(=O)c1cc2c(n1C[N+]#[C-])CC(C2)(C)C	SCHEMBL10255787,PC-id_58044005	246.305	FWGFDDVKDFNPGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026295
O=C1C(Cn2c1ccc2)CC(=O)N1CCCCC1	PC-id_23908193,TIMTEC52122	246.305	XHAUBZVWXQQYFC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-026296
O=C(N1CCCCC1)C[C@H]1Cn2c(C1=O)ccc2	PC-id_93531903	246.305	XHAUBZVWXQQYFC-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-026297
O=C(N1CCCCC1)C[C@@H]1Cn2c(C1=O)ccc2	PC-id_93531904	246.305	XHAUBZVWXQQYFC-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-026298
c1(C(C)NCc2ccc(C)o2)nnc2CCCn12	MCULE-9472266496,PC-id_43433202	246.308	NARZJEWUONTHCV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026299
c1(CN(C)Cc2cc(no2)C)c2CCCc2[nH]n1	ZINC22_19794390,PC-id_28359492,CoCoCo_1479324,CoCoCo_1479325,CoCoCo_1479323,EMOLS-id_23825182,CoCoCo_1479322,MCULE-5863137099	246.308	ZPCGVSTZOKQAAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026300
c1(C(=O)NC2CC2)c2CNCc2nn1CC1CC1	MCULE-3932901806,EMOLS-id_324354404	246.308	PPBASQLSOFCYSH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026301
c1(C(=O)N/N=C/2CCCCC2)c2CCCc2[nH]n1	CoCoCo_57341,CoCoCo_57342,TIMTEC60268,SPECS-id_AG-690/36642010,MCULE-3436714540,BAS-00389966,EMOLS-id_1209566,PC-id_820016	246.308	ARGPXVCXXCPFLV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026302
CC(c1nnc2n1CCC2)NCc1occc1C	PC-id_113242922	246.308	BRDOIBIFTPGGIB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026303
CCC(C(=O)NCc1cnc2n1CCC2)(C#N)C	EMOLS-id_317949031	246.308	SVYCQUOTWLZBKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026304
C[C@@H]1CC=CC[C@H]1NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320047096,MCULE-5167460655	246.308	LPDWVQMDSSKMAX-OFXPGDHQSA-N	00000010100011000001000010000000000000000000000000000000	25-01-026305
CN(CC#CCNC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_258160060,MCULE-5736138940	246.308	NXTNUYXRSXIUKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026306
o1cc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_80239283	246.308	GBDSDLHPHHQESY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026307
o1c(C(NC(c2n3CCCc3nn2)C)C)ccc1	PC-id_43748152	246.308	AYQPKPQEYFSTKC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026308
O=C(C1C2C1CCC2)NCc1nnc2n1CCC2	EMOLS-id_100435943	246.308	BWOKAXBTILUQJY-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-026309
O=C(C1CCC=CC1)NCc1nnc2n1CCC2	EMOLS-id_45742969,PC-id_42885898,MCULE-5019416454	246.308	NVYPZFDSXHSPOO-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-026310
O=C(C1NCc2c1c[nH]n2)NCCC1CC=CC1	EMOLS-id_319453864	246.308	XFXDTVKXHUCBMU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026311
O=C(C1NCc2c1c[nH]n2)N[C@@H]1C[C@H]1C1CCC1	EMOLS-id_319718784	246.308	LSLIASLNKIZSHI-YBBDEUDCSA-N	00101010100000000001100010000000000000000000000000000000	25-01-026312
O=C(CC1C=CCC1)NCc1nnc2n1CCC2	PC-id_45802637,MCULE-8500425811,EMOLS-id_31867772	246.308	CFGMKQYFRCDKHQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026313
O=C(/C=C/CN1CCCC1)N1Cc2c[nH]nc2C1	ZINC22_1875338263	246.308	RBYRSRFXVVLZSN-ONEGZZNKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026314
O=C(C[C@@H]1C=CCC1)NCc1nnc2n1CCC2	PC-id_93607923,CoCoCo_4491088,ZINC22_40481229	246.308	CFGMKQYFRCDKHQ-SNVBAGLBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026315
O=C(C[C@H]1C=CCC1)NCc1nnc2n1CCC2	ZINC22_40481227,CoCoCo_4491087,PC-id_93607922	246.308	CFGMKQYFRCDKHQ-JTQLQIEISA-N	00000011100000000001000010000000000000000000000000000000	25-01-026316
O=C([C@H]1C[C@@H]1C1CC1)NCc1nnc2n1CCC2	EMOLS-id_100763433	246.308	KCZIVIKSROEFQS-ZJUUUORDSA-N	00100010100000000001100010000000000000000000000000000000	25-01-026317
O=C(NC1CCCC1)NN=C1CCn2c1ccc2	MCULE-1928485038,PC-id_71883791,EMOLS-id_44555607	246.308	ONONUTYTZLNLBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026318
O=C(NC1CCCC1)N/N=C
/CCn2c1ccc2	PC-id_75364393	246.308	ONONUTYTZLNLBC-PTNGSMBKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026319
O=C(NCc1nnc2n1CCC2)[C@@H]1CC=CCC1	CoCoCo_4560423,ZINC22_32889089	246.308	NVYPZFDSXHSPOO-SNVBAGLBSA-N	00000010100011000001000010000000000000000000000000000000	25-01-026320
O=C(NCc1nnc2n1CCC2)[C@H]1CC=CCC1	ZINC22_32889087,CoCoCo_4560424	246.308	NVYPZFDSXHSPOO-JTQLQIEISA-N	00000010100011000001000010000000000000000000000000000000	25-01-026321
c1(C(C)NCc2ccnn2C)nnc2CCCn12	MCULE-6767276575,PC-id_43748184	246.312	IRIBNZHYCNXIOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026322
CC1CC(c2n1ncn2)NCCCn1cccn1	MCULE-9929843612,EMOLS-id_258181581	246.312	ORKSJRDFOMVHPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026323
CC1CC(c2n1ncn2)NCCCn1cncc1	EMOLS-id_279081213	246.312	BWPSWONEDBODEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026324
CC(c1ncn(n1)Cc1nnc2n1CCC2)(C)C	EMOLS-id_320128419,MCULE-1073392322	246.312	KXUCDWKNSXONBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026325
CC(Cn1cncn1)NCc1n[nH]c2CCCc12	PC-id_50980238,EMOLS-id_32428820,MCULE-5637124696	246.312	RRIAECBVNBIMDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026326
C#CCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020325	246.312	VSYGTUKHNBHTIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026327
C[C@@H](Cn1cncn1)NCc1n[nH]c2c1CCC2	PC-id_95226260,ZINC22_67934491	246.312	RRIAECBVNBIMDK-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-026328
C[C@H](Cn1cncn1)NCc1n[nH]c2c1CCC2	PC-id_95226261,ZINC22_67934492	246.312	RRIAECBVNBIMDK-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026329
n12CCCc1nnc2C(NCc1c([nH]nc1)C)C	PC-id_43748183	246.312	KLFMGULRQXAYDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026330
n12CCCc1nnc2C(NCc1cn(nc1)C)C	PC-id_43748045	246.312	UAUYRVRURKBSMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026331
n12CCCc1nnc2C(NCc1n(ccn1)C)C	PC-id_62349943	246.312	PYCGYCWNRFHZGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026332
n12CCCc1nnc2C(NCc1n(cnc1)C)C	PC-id_63001889	246.312	SJZFPPGMJRISTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026333
n12CCCc1nnc2C(NCc1nc[nH]c1C)C	PC-id_55114448	246.312	KDTLQPLRENHLAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026334
n12CCCc1nnc2C(NCc1[nH]c(nc1)C)C	PC-id_62741807	246.312	CJRIXYZUVJHXCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026335
n12CCCc1nnc2C(NC(c1[nH]ncc1)C)C	PC-id_54881876	246.312	ZVJCCOMATLKTET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026336
c1(cc2c(CCC2)s1)C(=O)c1ccc(CC)o1	PC-id_62344788,MCULE-5730424345,EMOLS-id_38949268	246.325	ABJRHBADAHQSSU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026337
C1CCC(CC1)CC1CCc2c1cc([nH]2)C(=O)[O-]	PC-id_86629551	246.325	OPZVQECVDWLTAA-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-026338
Cc1cc(c(o1)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_38529638,PC-id_61713960	246.325	RDEISXSTPIUWKY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026339
C1Cc2c(n(c(=S)n2C1)Cc1ccccc1)O	PC-id_91344819	246.328	QERKJJGUKJCTFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026340
c1([C@H](N)c2ccc(cc2)O)sc2c(CCC2)n1	PC-id_83303548,MCULE-9352807827	246.328	QRMNKADUQQJKHT-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026341
c1(Nc2ccccc2OC)sc2c(CCC2)n1	CB6442748,MCULE-6457143197,CHEMBL1389272,BAS-00653966,ZINC22_297973,PC-id_647482,ChEMBL-DNDi_CHEMBL1389272,PD116735,EMOLS-id_1077610,CoCoCo_110186	246.328	CZNGCIREEDNKQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026342
Cc1ccccc1Cn1nc2c(c1O)CSC2	EMOLS-id_315789444	246.328	IQKORBAXSKDYKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026343
Cc1cccc(c1)Cn1nc2c(c1O)CSC2	EMOLS-id_315789700	246.328	LYZXHZXEZZTOIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026344
Cc1ccc(cc1)Cn1nc2c(c1O)CSC2	EMOLS-id_315792259	246.328	PLTFLIONNLFQMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026345
C/C=CC1=C(C=C)c2n(C1CC(=O)S)cnc2	PC-id_145169314	246.328	RCIYLJMAXHVFGH-HYXAFXHYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026346
C(=C(C)/C)/C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327901944,MCULE-1007792804	246.328	BGCIJGUBPYLDBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026347
C=CC(=O)Nc1sc2c(c1C#N)C(C)(C)CC2	MCULE-8834440556,PC-id_139015414,ZINC22_1776003250	246.328	HMQCRARMVPXJBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026348
CCn1ccnc1C(=O)c1sc2c(c1)CCC2	EMOLS-id_38218202,PC-id_61314947	246.328	RVHIYIAOKFGWHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026349
CCn1ncc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114964472	246.328	YGSRPMKJMGBDBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026350
CCn1nccc1C(=O)c1sc2c(c1)CCC2	PC-id_114972490	246.328	LTNYRNOTLPZTNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026351
Cn1ccc(n1)CC(=O)c1sc2c(c1)CCC2	PC-id_115793257	246.328	MQIGWRSVIHFCGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026352
Cn1ncc(c1)CC(=O)c1sc2c(c1)CCC2	PC-id_114965298	246.328	MANMSNOTZICRAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026353
N#CC1(C)CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102753002	246.328	FNIJLKVQIZCFAQ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-026354
Oc1cccc(NCc2nc3c(s2)CCC3)c1	PC-id_86805802,EMOLS-id_49973302,ZINC22_97104738,MCULE-9725576535	246.328	NJMBSMDOLWZPTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026355
O=C(C1CCC1)Nc1c(C#N)c2c(CCC2)s1	EMOLS-id_322613602,MCULE-8503259946	246.328	ZEQRTPAJQKIHJX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-026356
O=C(c1sc2c(c1)CCC2)Cc1nccn1C	PC-id_115586864	246.328	BHIWZHMSYDKDIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026357
O=C(c1sc2c(c1)CCC2)NCc1cc[nH]c1	PC-id_114182035	246.328	QQBVPWRRTQCLOO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026358
s1c2c(CCC2)cc1C(=O)N1C(CCC1)C#N	PC-id_64414447	246.328	XEENSWVWDREQKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026359
s1c2c(CCC2)cc1C(=O)NC(C1CC1)C#N	PC-id_63821601	246.328	XABKQMRLJYHBTP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-026360
s1c2CCCc2nc1C(N)c1cc(O)ccc1	PC-id_83303549	246.328	ZEUJDOBFZZKHJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026361
s1c2CCCc2nc1C(N)c1c(O)cccc1	PC-id_83303550	246.328	NJRQYGQPIFQRIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026362
s1c2CCCc2nc1COc1ccc(N)cc1	PC-id_24251439	246.328	XGKWPHYVEPWHIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026363
s1c2CCCc2nc1COc1cc(N)ccc1	PC-id_24251483	246.328	RBFOYTYLXWCRQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026364
s1c2CCCc2nc1Nc1cc(OC)ccc1	PC-id_794806	246.328	KUIASVNDTPTZKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026365
s1c2CCNc2nc1CCOc1ccccc1	PC-id_82086203	246.328	HNZLQRZQSKACRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026366
s1c2CCNc2nc1COc1c(cccc1)C	PC-id_82086204	246.328	CDGZCRDSMIGUND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026367
s1c2CCNc2nc1COc1cc(ccc1)C	PC-id_82086205	246.328	PQHRMBCYBGZXSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026368
s1c2CCNc2nc1COc1ccc(cc1)C	PC-id_82086206	246.328	JJGASXDDYBCIAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026369
S1Cc2c([nH]n(c2=O)Cc2c(cccc2)C)C1	PC-id_83195629	246.328	WMAROBAVTJUMSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026370
S1Cc2c([nH]n(c2=O)Cc2cc(ccc2)C)C1	PC-id_83195734	246.328	YVTQRBXGQMNWLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026371
S1Cc2c([nH]n(c2=O)Cc2ccc(cc2)C)C1	PC-id_83196887	246.328	SMKNZCGRNQDMFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026372
Cc1cc2NC(Nc3ccccc3C)Sn2n1	MCULE-1074164073,EMOLS-id_232961868,PC-id_136245378	246.331	IXAGUZYMLMKWCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026373
Cc1cc2NC(Nc3ccc(C)cc3)Sn2n1	MCULE-8667162623,EMOLS-id_232961916,PC-id_136245381	246.331	VLLYYAUZYOOPRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026374
Cc1cc2n(n1)S[C@H](Nc1ccccc1C)N2	ZINC22_6969282	246.331	IXAGUZYMLMKWCO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026375
Cc1cc2n(n1)S[C@@H](Nc1ccccc1C)N2	ZINC22_6969284	246.331	IXAGUZYMLMKWCO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026376
Cc1ccc(N[C@@H]2Nc3cc(C)nn3S2)cc1	ZINC22_6966329	246.331	VLLYYAUZYOOPRP-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026377
Cc1ccc(N[C@H]2Nc3cc(C)nn3S2)cc1	ZINC22_6966330	246.331	VLLYYAUZYOOPRP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026378
Cc1cc(ncc1N)Nc1sc2c(n1)CCC2	PC-id_114256518	246.331	UXGMDFIYZSQKSB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026379
Cc1cc(SCc2n[nH]c3c2CCC3)ncn1	ZINC22_2325788071	246.331	KFHPWUKMHYHBSS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026380
Cc1cnc(c(c1)N)Nc1sc2c(n1)CCC2	PC-id_108189848	246.331	PLNBCVPBJKIUIP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026381
Cc1nc(ccc1N)Nc1sc2c(n1)CCC2	PC-id_108181491	246.331	WCFUXOCPGCXSKN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026382
Cc1nn2c(c1)N[C@@H](S2)NCc1ccccc1	CoCoCo_6392736,PC-id_136817657	246.331	JKPSHYNRDPNZND-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026383
Cc1nn2c(c1)N[C@H](S2)NCc1ccccc1	PC-id_136817656,CoCoCo_6392737	246.331	JKPSHYNRDPNZND-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026384
Nc1c(C)ccnc1Nc1sc2c(n1)CCC2	PC-id_114051238	246.331	VHXGSLLEZHVHGE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026385
Nc1ccc(nn1)NCc1sc2c(c1)CCC2	EMOLS-id_314870190,PC-id_113522224	246.331	JJFQFFGUTCAHCK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026386
Nc1ccnc(n1)NCc1sc2c(c1)CCC2	PC-id_116795653,EMOLS-id_314874203	246.331	LZCFVWOGEBWRSH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026387
Nc1cnc(c(c1)C)Nc1sc2c(n1)CCC2	PC-id_108175768	246.331	VPQKZJJLIGRWCM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026388
Nc1cncc(n1)NCc1sc2c(c1)CCC2	PC-id_78988903,EMOLS-id_315478488	246.331	FSDOOXOXKCHUKL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026389
Nc1nccc(n1)NCc1sc2c(c1)CCC2	PC-id_114052433	246.331	RLRFKPLOVHVLKK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026390
Nc1ncc(nc1)NCc1sc2c(c1)CCC2	EMOLS-id_315509053,PC-id_80653351	246.331	IRYWUANQRAJUMW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026391
Nc1nccnc1NCc1sc2c(c1)CCC2	PC-id_113228950	246.331	NPIQZUHSJCPCSD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026392
Nc1ncnc(c1)NCc1sc2c(c1)CCC2	PC-id_115612233	246.331	SRVLPYPBPAWERH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026393
NNC(c1sc2c(c1)CCC2)c1cncnc1	PC-id_105292128	246.331	QIJGXFUADRPQLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026394
NNC(c1sc2c(c1)CCC2)c1nccnc1	PC-id_105308655	246.331	NGRQLDJYASCHTR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026395
CCc1c(C)c2n(c1C)C(=O)C=C2N(CC)CC	NSC87248,PC-id_258389,CoCoCo_5401100,ZINC22_1561749,LI_36895	246.348	DMFQFLUGCCOYFU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026396
CC(C1CCCC1)n1nc2CCC(C)c2c1C=O	MCULE-8125339492,EMOLS-id_330985909	246.348	RVHMGOWJKQBDKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026397
Clc1n(nc2c1CSC2)CC(=O)OCC	PC-id_83193154	246.714	NGGQGGBRLKIIID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026421
C/C=CC1=C(C)c2n(C1[C@@H]([C@@H](O)C)CC)cnc2	SCHEMBL20617479,PC-id_137386987	246.348	CAXVEEXNVOQZIE-ZFNPRZTRSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026398
CC(C)(C)c1c[nH]c2=C(C(N=c12)C=O)C(C)(C)C	PC-id_88657581	246.348	LOGUAFCDIICZGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026399
CC(c1sc2c(n1)CN(C2)S(=O)(=O)C)C	PC-id_90274185,SCHEMBL15866352	246.35	SZPZPCNCUDYJEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026400
CN1c2nc(sc2CS1(=O)=O)C(C)(C)C	PC-id_59463869,SCHEMBL12340955	246.35	QDSPGZZOHRFDSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026401
CN1c2sc(nc2CS1(=O)=O)C(C)(C)C	PC-id_59463996,SCHEMBL12340958	246.35	KLPPNIKFEWJIDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026402
S(=O)(=O)(NC1CCc2sccc12)CCN	PC-id_83626210	246.35	QQNRQDUORDWPGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026403
S(=O)(=O)(Nc1sc2CCCc2n1)C(C)C	PC-id_62998695	246.35	MFOPWKLTSYNMDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026404
S(=O)(=O)(Nc1sc2CCCc2n1)CCC	PC-id_64585746	246.35	QPOASSKCEURMLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026405
n12CCCc1nnc2C(NCC1CCC=CC1)C	PC-id_43748037	246.351	MLKRVPOKVNTFOL-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-026406
N(C(C1CC1)C1CC1)C(c1n2CCCc2nn1)C	PC-id_43748153	246.351	SFRADWKDQFNBDM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026407
s1c2c(CCC2)cc1C(=O)C1=CCCCCC1	PC-id_63497303	246.368	NCSRDFOWKNYPIC-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-026408
s1sc2c(c1=S)CCC2C(=O)OCC	PC-id_46839187,CHEMBL1173266	246.37	DQXWLLCHJDXICG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026409
s1sc2c(c1=S)CC(C2)C(=O)OCC	PC-id_46839188,CHEMBL1173267	246.37	APZCCORPJAWLPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026410
Cn1cccc1CNCc1sc2c(c1)CCC2	EMOLS-id_38816832,PC-id_55039422	246.371	NKHFUTLSFBDELB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026411
Cn1ccc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_41933894,PC-id_66399819	246.371	GJTSZDMVDHXMHN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-026412
N#CCC1(CNCc2sc3c(c2)CCC3)CC1	EMOLS-id_41289881,PC-id_65495822	246.371	IJGJDKFJMAXAPT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-026413
s1c(CNC2CCCC2C#N)cc2CCCc12	PC-id_62742417,MCULE-3009792026	246.371	MXXINESZUAORJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026414
C/C=C/1c2c(C(N1C(C)(C)C)C(C)(C)C)[nH]cc2	SCHEMBL20643734,PC-id_137410679	246.391	KGSGBMUKSBLOLM-XYOKQWHBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026415
CC1CCc2c1c(Cl)nn2CC1CC1(F)F	EMOLS-id_330974963,MCULE-6571332648	246.684	UUZJCGZDNSGJGC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026416
CC1CCc2nn(CC3CC3(F)F)c(Cl)c12	EMOLS-id_331021487,MCULE-2325750240	246.684	UCCQHAHZECBDAQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026417
c1(C(=O)c2ccc(cc2)Cl)cnc2CCCn12	MCULE-5684935452,CoCoCo_4969635,EMOLS-id_6257201,PC-id_3929589,ZINC22_1781181	246.692	PYJIJURLQOREJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026418
Clc1ccc(C=Nc2onc3CCCc23)cc1	PC-id_58664492	246.692	KXELHYDSZYEHTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026419
CCC(=O)OCc1c(Cl)nc2n1CCS2	CoCoCo_5604884,PC-id_433543,LI_187428	246.714	MIDKZZHMGWXHSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026420
NC(=O)CONC1CCc2c1cc(s2)Cl	EMOLS-id_313547210,PC-id_112672858	246.714	AMUGKIWHSKUIMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026422
ClCCCC(=O)Nc1n2CCSc2nn1	PC-id_44007631	246.717	KBDLGHPUIDGNQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026423
c12C(C)CCc1n(nc2Cl)Cc1ccccc1	EMOLS-id_330970111,MCULE-4516405247	246.735	MEOLCLVAMRDBER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026424
c12C(C)CCc1nn(Cc1ccc(cc1)Cl)c2	EMOLS-id_330998443,MCULE-2060372882	246.735	TXSXZRLYZHJUQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026425
c12C(C)CCc1nn(Cc1ccccc1Cl)c2	EMOLS-id_331001257,MCULE-9526948554	246.735	UIOSMOYAGVVVBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026426
CC1CCc2c1cnn2Cc1ccccc1Cl	EMOLS-id_331015404,MCULE-4610771620	246.735	QIRPSLPRPDTBBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026427
CC1CCc2c1cnn2Cc1ccc(Cl)cc1	MCULE-2678104386,EMOLS-id_331016685	246.735	YTDIPZCGLMATHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026428
CC1CCc2nn(Cc3ccccc3)c(Cl)c12	EMOLS-id_331020715,MCULE-3842174257	246.735	JGOWVGMAHRAMHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026429
CC(c1n[nH]c2CCCc12)c1ccccc1Cl	EMOLS-id_337933588	246.735	NOTFTWYYZKEOQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026430
CC(c1n[nH]c2CCCc12)c1cccc(Cl)c1	EMOLS-id_337935379	246.735	DQJLNUCGQSVMHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026431
CC(c1n[nH]c2CCCc12)c1ccc(Cl)cc1	EMOLS-id_337933075	246.735	BJXGKDQYNNPZNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026432
Clc1n(nc2c1CCC2)Cc1c(cccc1)C	PC-id_66014892	246.735	DNCQGFRPBBZRLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026433
Clc1n(nc2c1CCC2)Cc1cc(ccc1)C	PC-id_66016683	246.735	ZHDYYXNAEGBWCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026434
Clc1n(nc2c1CCC2)Cc1ccc(cc1)C	PC-id_66023027	246.735	SEORQYUVDFYDDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026435
Ic1cc2n(c1)CCC2=O	PC-id_71117639,SCHEMBL14249088	247.033	VKGBIBWIJUKNDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026436
Brc1oc2CCC(O)(c2c1)C(=O)O	PC-id_83912945	247.043	VFGKBBATPXUVDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026437
Brc1oc2C(O)(CCc2c1)C(=O)O	PC-id_83912944	247.043	NILLMBLUGFMPNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026438
CC(C)S(=O)(=O)N1CC2=C(C1)NNC2=S	PC-id_148608970	247.045	NDZITCAMHPEIKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026439
Brc1c2OCCn2nc1CC(=O)O	PC-id_84045440	247.046	WQRAGEIGIRZIDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026440
Brc1c2OCC(n2nc1C)C(=O)O	PC-id_84705943	247.046	KSIKJCJSNYAMBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026441
Brc1n[nH]c2CCC(O)(c12)C(=O)O	PC-id_83912946	247.046	PJPFTNYTCWAIRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026442
OC(=O)Oc1nc2n(c1Br)CCC2	SCHEMBL19148227	247.046	VNSLDQAZLKQAIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026443
O=Cc1sc(c2c1C(=O)CO2)Br	PC-id_97760405	247.066	DCFUPKYFHTZBSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026444
Brc1nc2c(s1)N=C(C2)C(=O)O	PC-id_68541039,SCHEMBL3183199	247.069	HHIKSFHNMMDQSI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026445
Cc1c([nH]c2c1CCC2)I	PC-id_137403759,SCHEMBL20635788	247.076	GGQAUTDQLCHGJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026446
OB(C1=CCN(CC1)Cc1nn2c(c1)CCC2)O	MCULE-6395415719	247.101	RUCNLZXENBBBPG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-026447
c12C(C)CCc1n(nc2Br)CCF	EMOLS-id_330970103,MCULE-1826586041	247.107	IECSFLZLYYWNIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026448
c12C(C)CCc1nn(CCF)c2Br	EMOLS-id_331018921,MCULE-2876224567	247.107	WLTZXQJGGCHWLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026449
CCn1nc(c2c1CCC2(C)F)Br	PC-id_105506774	247.107	RXRGWFBKUJZSDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026450
FC1CCc2c1c(Br)nn2C(C)C	PC-id_105506775	247.107	SZBZREJYQIUFRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026451
Brc1c2CCCc2sc1C(=O)O	PC-id_84045453	247.109	CBYLROGZBZXEHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026452
Brc1sc2C(CCc2c1)C(=O)O	PC-id_82647642	247.109	WXHNSJOGPLHGMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026453
Brc1sc2CCC(c2c1)C(=O)O	PC-id_83912950	247.109	OUNVXFSJDFGAIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026454
Brc1sc(c2CCCc12)C(=O)O	PC-id_83671305	247.109	QMBQHOZUOBNBNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026455
c1(C(=O)O)c2CCCc2sc1Br	MCULE-3816449373,PC-id_82374904,ZINC22_96918472,EMOLS-id_50386625	247.109	VNTPEQMLEDXCDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026456
c1(C(=O)N)c2CNCc2sc1Br	EMOLS-id_331065133,MCULE-5299436291	247.112	ZZHISRLMVSVBMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026457
Br/C=c/1cc2c(=CC(=O)S2)s1	PC-id_141287416	247.132	RTOQGDYYLQAVQV-ONEGZZNKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026458
Brc1c2c(oc1C(C)C)CSC2	PC-id_84803291	247.152	QMMBMHOHGSIOIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026459
c1(CBr)c2CCCc2sc1OC	EMOLS-id_331061030,MCULE-7208341096	247.152	WDUNQIZMKSMNHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026460
OC(CBr)c1cc2CCCc2s1	EMOLS-id_313955034,MCULE-2882205314	247.152	QIXMJTHKMDDNOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026461
Brc1nn(c2c1CSC2)C(C)C	PC-id_105506788	247.155	WRVWWJMFUWTUFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026462
Brc1n(nc2c1CSC2)C(C)C	PC-id_59050172	247.155	LDCLAVWHWTYFBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026463
Brc1sc2c(n1)C(N(C2)C)(C)C	PC-id_57804505,SCHEMBL3307946	247.155	FBXUYIDUAZUUMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026464
c12CN(Cc1sc(Br)c2CN)C	MCULE-6217415966,EMOLS-id_331066664	247.155	LPFNEYIBWGUCON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026465
c12CN(Cc1sc(CN)c2Br)C	MCULE-2724215839,EMOLS-id_330872390	247.155	MJMXGRFVUNXUPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026466
c12CN(Cc1sc(N)c2CBr)C	MCULE-4336474847,EMOLS-id_331064360	247.155	OVIRLSWCYPSOMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026467
c12CSCc1nn(CCC)c2Br	MCULE-7858107497,EMOLS-id_324397144	247.155	BTWXXIDFJPRFLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026468
c1(CNC)c2CNCc2sc1Br	EMOLS-id_331065389,MCULE-3970067149	247.155	IDISCCLBWCHICS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026469
FC(F)(F)c1n(c(c2c1CCC2=O)C(=O)O)C	PC-id_82622885	247.171	RYHQVDCDSKZCOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026470
c1(C(=O)OC)cc2c(C[Se]C2)s1	PC-id_4318619,EMOLS-id_13734977,MCULE-3684473645,SPECS-id_AI-942/25034541	247.173	QUABHNWZPLOKOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026471
S1(=O)(=O)Cc2c(C1)c(oc2C(=O)O)[N+](=O)[O-]	PC-id_84018653	247.182	CPWGFDHHSSYHGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026472
FC(F)(F)c1nn(c2c1CCC2)C(C)C(=O)[O-]	PC-id_74816085	247.194	WMFULLMJQHHBFB-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-026473
FC(F)(F)c1nn(c2c1CCC2)[C@@H](C)C(=O)[O-]	PC-id_42574009	247.194	WMFULLMJQHHBFB-YFKPBYRVSA-M	00000010100000000001000010000000000000000000000000000000	25-01-026474
FC(F)(F)c1nn(c2c1CCC2)[C@H](C)C(=O)[O-]	PC-id_42574012	247.194	WMFULLMJQHHBFB-RXMQYKEDSA-M	00000010100000000001000010000000000000000000000000000000	25-01-026475
c12CN(Cc1nn(CC(F)F)c2O)C(=O)OC	MCULE-4932135884,EMOLS-id_324338025	247.199	WJLJKXZHVRIKMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026476
CC([B-]1CC([n+]2c1n(cc2)C(C)(C)C)(C)C)(C)C	PC-id_139043623	247.207	RVONCGOHIPYZMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026477
O1C(Oc2ccccc2)Cn2c1nc([N+](=O)[O-])c2	PC-id_460736	247.207	YSDPKFKLOFFUOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026478
COC(=O)c1cc2c([nH]1)CCC2CC(F)(F)F	SCHEMBL1005096,PC-id_59180235	247.214	RQENUXLNQOWKDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026479
c1(C(=O)N)c2C(C)CCc2n(CC(F)(F)F)n1	EMOLS-id_331041282,MCULE-2630131444	247.217	FDXMZDDUQXVJAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026480
c1(C(=O)NC)c2CCCc2n(CC(F)(F)F)n1	EMOLS-id_324386903,MCULE-7577185982	247.217	PHXDAJGMOIHDCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026481
CC1CCc2nn(CC(F)(F)F)c(C(=O)N)c12	MCULE-5928151258,EMOLS-id_330959041	247.217	WAYHHQLYVCVYOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026482
CCCC(=O)c1nn2C(CCc2n1)C(F)(F)F	PC-id_134577476,SCHEMBL20228864	247.217	WLVZCUHCDUYULE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026483
O=C(CC(F)(F)F)NCc1n[nH]c2c1CCC2	MCULE-4209784022,EMOLS-id_319969694	247.217	NXLXTRLWHVHWOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026484
Cc1c2C(=O)NS(=O)(=O)c2sc1C(=O)O	EMOLS-id_2860753,CoCoCo_3798136,ZINC22_3887489,PC-id_4987900,MCULE-2726143572	247.248	WKVNXWCPKKAPFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026485
Fc1ccccc1/C=c/1sc2ncnn2c1=O	ChEMBL-DNDi_CHEMBL5629-0379,ZINC22_12341296,EMOLS-id_2455530	247.248	WHHSWPSNXBKWPZ-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-026486
Fc1ccc(/C=c/2sc3ncnn3c2=O)cc1	SPECS-id_AS-871/41622495,EMOLS-id_3516434,CHEMBL277750,ChEMBL-DNDi_CHEMBL5629-0389,ZINC22_12341297	247.248	LBASIXUNUHGLGV-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-026487
Fc1cccc(/C=c/sc3ncnn3c2=O)c1	EMOLS-id_207252068,ZINC22_208398	247.248	TWRNQIDEZMQWHZ-WEVVVXLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-026488
Fc1cccc(/C=c/2sc3ncnn3c2=O)c1	EMOLS-id_25955463,ZINC22_22478484,ChEMBL-DNDi_CHEMBL5629-0758	247.248	TWRNQIDEZMQWHZ-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-026489
n12ncnc1sc(=Cc1ccc(cc1)F)c2=O	EMOLS-id_300037781,MCULE-4970680667	247.248	LBASIXUNUHGLGV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-026490
n12ncnc1sc(=Cc1ccccc1F)c2=O	ZINC22_254293602,MCULE-1582646782,EMOLS-id_300077121	247.248	WHHSWPSNXBKWPZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-026491
n12ncnc1sc(=Cc1cccc(F)c1)c2=O	EMOLS-id_577576,MCULE-4158553298,ZINC22_254498858	247.248	TWRNQIDEZMQWHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-026492
O=c1/c(=Cc2ccc(F)cc2)/sc2ncnn12	ZINC22_208279	247.248	LBASIXUNUHGLGV-WEVVVXLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-026493
C1COc2cc(nn12)C(=O)NCCc1ccco1	PC-id_91959787	247.25	ZAWPBMNJJTWEAQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026494
O=C1CC(C(=O)N1)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319795647	247.25	IEIPQVKWULJXBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026495
O=C1CN=C(N1C)NC(=O)c1occ2c1CCC2	EMOLS-id_319012093	247.25	MHUWREMLNWKFHT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026496
O=c1n(OCc2ccccc2)c(=O)n2n1CCC2	PC-id_102523855	247.25	HXRHIDMTJKQXBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026497
c1(C(=O)NCc2onc(C)n2)c2CCCc2[nH]n1	MCULE-9968847057,EMOLS-id_323259056	247.253	CPPRIIKMEQGKHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026498
Cc1cc(C(=O)NCc2nnc3n2CCC3)on1	EMOLS-id_31878276,ZINC22_42648537,PC-id_51076051,MCULE-7990808679	247.253	LWPMWPBFFLBGMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026499
Cc1cc(NC(=O)CN2CCn3ccnc23)no1	PC-id_146139311,ZINC22_931527307	247.253	AVYFPRXSTAJGGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026500
Cc1nc(C(=O)NCc2cnc3n2CCC3)no1	ZINC22_1875282380,EMOLS-id_324021613,PC-id_146104064,MCULE-6378629799	247.253	AZHVCFPURAOVMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026501
Cc1nn(c(c1)NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99538816	247.253	NTYSSZCINZQVKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026502
COc1[nH]nc(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319802223	247.253	JGNIXPOAWNCDQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026503
COc1[nH]nc(c1)C(=O)NC1CCn2c1cnc2	EMOLS-id_319167123	247.253	ULFJOJOUZAVESS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026504
COc1[nH]nc(c1)C(=O)NC1CCn2c1ncc2	EMOLS-id_318923821	247.253	HLEFIJFOIXAGGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026505
Nc1ncc(o1)C(=O)NCc1cnc2n1CCC2	MCULE-9191535847,EMOLS-id_320236747	247.253	UIHLLEHMABNRNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026506
Oc1cc(n(n1)C)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_320142275,MCULE-8783300949	247.253	OPNMDNOUEFBROD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026507
O=C1CN=C(N1C)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_278441467	247.253	DKZPEBAMJWAAAU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026508
O=C1CN=C(N1C)NC(=O)c1cnc2n1CCC2	EMOLS-id_278441443	247.253	KHBNDNWOXVREIV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026509
O=C1CN=C(N1C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316700317	247.253	ACSCGPBOSWEALA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026510
O=c1[nH]cc(n1C)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318210450	247.253	SJBRMQNOWGZPAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026511
O=C(c1conc1C)NC1CC(n2c1ncn2)C	MCULE-5882657400,EMOLS-id_320183298	247.253	SOTGYEDSVUNKIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026512
O=C(c1nn2c(c1)OCC2)Nc1nn(c(c1)C)C	EMOLS-id_99598404	247.253	UPIFTMHSLBBZQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026513
O=C(c1nocc1C)NC1CC(n2c1ncn2)C	EMOLS-id_316633648	247.253	YOOVVSAMMKSATP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026514
O=C(c1nonc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_320337287,MCULE-5006780223	247.253	BTBOGFLWMXYMKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026515
O=C(N1CCn2c1ncc2)Nc1c(C)noc1C	EMOLS-id_316667988	247.253	HPSWCHZYYWBLIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026516
O=C(N1CCn2c1ncc2)NCc1nocc1C	EMOLS-id_319943344,MCULE-9661387678	247.253	ZBMNASRIIZBXRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026517
Cn1nnc(n1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100537965	247.257	ZSHVVEXFDKNWMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026518
Cn1nnc(n1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319688876	247.257	ITWVKXPXAZLYCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026519
FC(F)(F)c1oc2c(CCC2)c1CNC(C)C	PC-id_83610548	247.257	QMKJODUENSCXQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026520
FC(F)(F)c1oc2c(CCC2)c1CNCCC	PC-id_83610549	247.257	BEUBXYDXTPFJDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026521
O=C(c1n[nH]c2c1CCC2)NCCn1nncn1	EMOLS-id_98001597	247.257	RPTBQVBTQSRZMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026522
O=C(N1CCn2c1ccn2)CCCc1nnn[nH]1	EMOLS-id_316633521	247.257	ZATBLOCSJNIXMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026523
O=C(N(Cc1n2CCCc2nn1)C)c1[nH]ncn1	PC-id_80370049	247.257	PSHXCMBPLXEPGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026524
O=C(NC(c1n2CCCc2nn1)C)c1[nH]ncn1	PC-id_80373798	247.257	VVEBECOINPWMSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026525
O=C(NC(c1n2CCCc2nn1)C)c1n[nH]nc1	PC-id_78968201	247.257	RMBQMTQMFLFCBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026526
O=C(N(Cc1n2CCCc2nn1)C)c1n[nH]nc1	PC-id_78968229	247.257	GMQJRVWNFXCSNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026527
O=C(NCc1nnc2n1CCC2)Nc1cn[nH]c1	PC-id_47247519,MCULE-4415298899,CHEMBL4559448,EMOLS-id_35718948,ZINC22_45387344	247.257	XEOCMKPMFATIAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026528
c12CN(Cc1nn(CC(C)C)c2)CC(F)(F)F	MCULE-8827842969,EMOLS-id_324340832	247.26	PVONAZOHPVFOFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026529
CC(c1n[nH]c2c1CN(C2)CCC(F)(F)F)C	SCHEMBL17229855,PC-id_118489372	247.26	NMRHOYQEHWPBLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026530
CC(n1nc2CCC(C)c2c1CN)C(F)(F)F	MCULE-3624159404,EMOLS-id_330996409	247.26	PJQBZCKTCSACIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026531
CC(n1nc(CN)c2C(C)CCc12)C(F)(F)F	EMOLS-id_331010559,MCULE-5780974276	247.26	DACDTDYTOWBDKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026532
FC(Cn1nc2c(c1)CN(C2)C(C)(C)C)(F)F	SCHEMBL19504436	247.26	XFAGXXSULXSUAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026533
FC(Cn1ncc2c1CN(C2)C(C)(C)C)(F)F	SCHEMBL19498087	247.26	VGUQEKLESWVXBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026534
c1(C(=O)NC)c2CSCc2nn1CC(F)F	EMOLS-id_324397663,MCULE-3583399506	247.265	JMIZUSFFXBALBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026535
C=CC(=C)[C@H]1C[C@@H](c2n1nc(n2)C(=O)C1CC1)F	PC-id_137412609,SCHEMBL20646031	247.268	SQFIWCLHEBDDNG-VHSXEESVSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026536
Fc1ccc(c(c1)C)OCc1nnc2n1CCC2	EMOLS-id_319011472	247.268	RWBSRJVKYMUTLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026537
c12ccsc1C(=O)CC2NC(=O)c1ccco1	EMOLS-id_42973419,MCULE-5824102222,PC-id_3786969	247.27	ZZQYRIKPPYZHHC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026538
O=C(N[C@H]1CC(=O)c2sccc12)c1ccco1	PC-id_1474708,ZINC22_1386536	247.27	ZZQYRIKPPYZHHC-QMMMGPOBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026539
O=C(N[C@@H]1CC(=O)c2sccc12)c1ccco1	ZINC22_1386537,PC-id_1474709	247.27	ZZQYRIKPPYZHHC-MRVPVSSYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026540
O=s1ccc2c1oc(=O)n2Cc1ccccc1	PC-id_142674380	247.27	MEHZQTLLPFEMLC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-026541
n12nc(nc1sc(=Cc1ccco1)c2=O)CC	MCULE-6208083229	247.273	PCSNVJAESZGCOM-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-026542
S1c2n(nc(n2)COc2ccccc2)C(=O)C1	PC-id_82357952	247.273	ZDGBZBVBRDTHDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026543
S1Cc2c(noc2NC(=O)c2cccnc2)C1	PC-id_49720111	247.273	ITVVSTNMNBMBNZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026544
S1Cc2c(noc2NC(=O)c2ccncc2)C1	PC-id_49720116	247.273	PBFDZPKBUBIZED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026545
S1Cc2c(noc2NC(=O)c2ncccc2)C1	PC-id_49720118	247.273	UZUOIIMZAOJBFF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-026546
s1c(CCN2C(=O)c3[nH]cnc3C2=O)ccc1	PC-id_44614642	247.273	OILNHKKAEATERG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026547
Cc1nc2s/c(=Cc3cnn(C)c3)/c(=O)n2n1	EMOLS-id_50595234,STOCK7S-51591	247.276	DJVGSQASAPKAFF-BAQGIRSFSA-N	00000000100000000001000010000000000000000000000000000000	25-01-026548
CCSc1n/c(=C/c2ccco2)/c2n1nnn2	CoCoCo_5758805	247.276	IUIOFMGSZAWCEO-SOFGYWHQSA-N	00000000101000000001000010000000000000000000000000000000	25-01-026549
CCSc1n/c(=Cc2ccco2)/c2n1nnn2	NSC691991,CoCoCo_5758804,PC-id_5469750	247.276	IUIOFMGSZAWCEO-VURMDHGXSA-N	00000000101000000001000010000000000000000000000000000000	25-01-026550
n12nc(nc1sc(=Cc1cnn(C)c1)c2=O)C	PC-id_91823400,MCULE-5471223918	247.276	DJVGSQASAPKAFF-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-026551
[N-]=[N+]=NCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_98880879	247.276	GAKLQVSLXMRSFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026552
s1c2CNCc2nc1NC(=O)c1nccnc1	PC-id_82194069	247.276	PUEMLKKOTHICAF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026553
s1c2CN(Cc2nc1N)C(=O)c1nccnc1	PC-id_82194180	247.276	RRAVZDWVCSLPGT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026554
S(c1n2nnnc2c(=Cc2occc2)n1)CC	PC-id_392119	247.276	IUIOFMGSZAWCEO-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-026555
Fc1cncc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114963609	247.288	PQQNHDSQHGFVQO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026556
Fc1cnccc1C(=O)c1sc2c(c1)CCC2	PC-id_115802229	247.288	MHOXHDNRTZBHKO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-026557
CCCOC(=O)C(=C)CC1C(=O)Cc2n1ccc2	SCHEMBL17104450,PC-id_118387776	247.29	OLJMMOUWRGEXOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026558
O=C(C1CCCC1)c1n2c(C(CC2)C(=O)O)cc1	PC-id_85749649	247.29	PBAVKMWYSBMYIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026559
O=C1c2cc(oc2SC1(C)C)S(=O)(=O)N	PC-id_15165685,SCHEMBL9864840	247.291	HFGSJMAWLVOQIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026560
OC(=O)N1Cc2c(C1)c(sc2)S(=O)(=O)C	SCHEMBL9235939,PC-id_67802243	247.291	YBYDOJSHBKWEHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026561
S1(=O)(=O)C(C(c2c1scc2)CN)C(=O)O	PC-id_14867379	247.291	BIEIMKWDIQAYLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026562
c12CN(Cc1nn(C)c2C#C)C(=O)OC(C)(C)C	EMOLS-id_324360289,MCULE-5744042602	247.293	QGVGEJCCTQLAHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026563
c12CN(Cc1nn(C(C)C)c2C#C)C(=O)OCC	EMOLS-id_324358241,MCULE-9801349846	247.293	BTUGDWOEUSBIES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026564
c12CN(Cc1nn(CC(C)C)c2C#C)C(=O)OC	MCULE-8302068346,EMOLS-id_324360288	247.293	GFKHJWLNGZSYNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026565
c1(C(=O)N2CCC(=O)CC2)c2CCCc2n(C)n1	MCULE-8437254700,EMOLS-id_320480269,PC-id_84467605	247.293	PNYQDMQDIURVBJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026566
c1(C(=O)OCC)c2C(C)CCc2n(CCC#N)n1	MCULE-2123275999,EMOLS-id_331001591	247.293	CSXFXUVLYFGZGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026567
c1(C(=O)OCC)c2C(C)CCc2nn1CCC#N	EMOLS-id_330983608,MCULE-3360770873	247.293	QRTKLQFRRNSUHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026568
c1(C(=O)OC(C)(C)C)c(N)c(c2CCCn12)C#N	SPECS-id_AT-687/PE33059,ZINC22_96511556,MCULE-2228062186,EMOLS-id_49185839,PC-id_75466268,SPECS-id_AT-687/NB03687	247.293	VAUBLRPKJGIVBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026569
C=C[C@@H]1OCC[C@H]1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101412085	247.293	DNZQIYQKDNGNSP-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-026570
CC[C@H]([C@@H](C(=O)c1ccc2n1CCC2C#N)N)O	PC-id_70617814,SCHEMBL11595509	247.293	OPORQXXYUWYZCW-HXBSPLPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026571
CCC=N/C=CCc1n2C(=O)CCn2c(=O)c1C	PC-id_143321094	247.293	JSCVDXOVVHYMDK-TYJWDVPMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026572
CN1CCN(CC1)C(=O)c1cc2c([nH]1)CCC2=O	SCHEMBL10262912,PC-id_68081055	247.293	NDAISPMHFORPQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026573
CN1CCN(CC1)C(=O)c1cc2c([nH]1)C(=O)CC2	PC-id_70937777,SCHEMBL13562313	247.293	BTSXTCQLDANVFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026574
N[C@@H](C(O)(C)C)C(=O)c1ccc2n1CCC2C#N	PC-id_70617224,SCHEMBL11592480	247.293	IPZMURKCYDSOCM-LESKNEHBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026575
O=C1CCN(CC1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102546614	247.293	ZQSIOQXUJLRYHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026576
O=C([C@@]12COC[C@@H]1C2)NCc1n[nH]c2c1CCC2	MCULE-1781399968,EMOLS-id_320048295	247.293	CUNQRPRSLHHQHQ-SDBXPKJASA-N	00100010100000000001010010000000000000000000000000000000	25-01-026577
O=C(c1nn2c(c1)OCC2)NC1(C)CCC=CC1	EMOLS-id_101518788	247.293	FEXQELOLMDSOAV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-026578
OC[C@H]1C=C[C@H](C1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100323191	247.293	HCGUQRMWUYRRQG-DTWKUNHWSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026579
O=C([C@@H]1[C@@H]2[C@H]1COC2)NCc1cnc2n1CCC2	EMOLS-id_319531798	247.293	DLEDNJBNDAOTPM-IAZYJMLFSA-N	00100010100000000001010010000000000000000000000000000000	25-01-026580
O=C([C@@H]1[C@@H]2[C@H]1COC2)NCc1n[nH]c2c1CCC2	EMOLS-id_318908041	247.293	DESKLVQANILOAF-GDGBQDQQSA-N	00100010100000000001010010000000000000000000000000000000	25-01-026581
OC(C(N)C(=O)c1n2CCC(c2cc1)C#N)(C)C	PC-id_77883550	247.293	IPZMURKCYDSOCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026582
OC(C(N)C(=O)c1n2CCC(c2cc1)C#N)CC	PC-id_77883648	247.293	OPORQXXYUWYZCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026583
CC(c1nonc1C)NC1CC(n2c1ncc2)C	EMOLS-id_319015400	247.296	JEVGRTZGHQIURK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026584
C#CCC(C(=O)N(Cc1nnc2n1CCC2)C)N	EMOLS-id_314745507,PC-id_81775119	247.296	CEUUKTXKWJLMHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026585
C#CCNCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_79286858,EMOLS-id_260463989	247.296	DDZCEQZDYVMUDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026586
C#CCNCC(=O)NC(c1nnc2n1CCC2)C	PC-id_79287633,EMOLS-id_315405655	247.296	JPCFXVUEAZCKNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026587
COCc1n[nH]c2c1CN(Cc1cnn(C)c1)C2	PC-id_97520289,EMOLS-id_44371964,ZINC22_96260211	247.296	MBCZUANMSZTTBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026588
OCCN1Cc2c(C1)n(nc2Cn1cncc1)C	PC-id_97519266	247.296	YMMIQWDEIAONFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026589
O=C(NC(c1n2CCCc2nn1)C)C(N)CC#C	PC-id_81773665	247.296	JBDCASKYYTYBKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026590
CC(c1nnc2n1CCC2)NCc1cnnn1C	PC-id_115682282	247.3	PGYFXKJNXHWWNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026591
CC(C)(C)n1nnc(CN2CCn3ccnc23)n1	ZINC22_931518635,PC-id_146139290	247.3	IAVXZNPUAGUART-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026592
n12CCCc1nnc2C(NCc1nnn(c1)C)C	PC-id_62755436	247.3	RDUVPGMMZFVEHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026593
CON(C(=O)c1sc2c(c1F)CSC2)C	SCHEMBL16939016,PC-id_118258931	247.31	WDUNBUFCSHMKLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026594
O=C(c1ccco1)NCc1sc2c(c1)CCC2	PC-id_61948247,EMOLS-id_315284709	247.313	XZVWMQZCCHXGPF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026595
O=C(NCc1ccco1)c1cc2c(s1)CCC2	EMOLS-id_42931697,ZINC22_6639394,MCULE-2657862726,PC-id_4879975	247.313	VBOIMZDCGKRAPO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026596
S1(=O)(=O)Cc2c(C1)cn(c2)Cc1ccccc1	PC-id_11043068	247.313	ZGFFZSFHCLPEKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026597
S(=O)(=O)(c1c2n(CCC2)cc1)c1ccccc1	PC-id_14116349	247.313	LUSGJJGACHKTDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026598
C1Cc2c(C1)sc(c2)CNc1cc(=O)[nH]cn1	PC-id_137016221	247.316	TVRVGCSGBQHNAQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026599
c1(cn[nH]c1)C(=O)NCc1cc2c(CCC2)s1	EMOLS-id_38138807,MCULE-8882809275,PC-id_61209152	247.316	VBUOUXBRWNDKIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026600
CC1Cn2c(COc3ccccc3)nnc2S1	MCULE-1785282459,ChEMBL-DNDi_CHEMBL1447449,PC-id_2973007,SPECS-id_AN-153/I219677,CHEMBL1447449,EMOLS-id_2267049	247.316	ALZYDFCPRUUCNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026601
CC1=Nc2n(S1C(c1ccccc1)O)cnc2	SCHEMBL20744132	247.316	UZPBURHADKHEDN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-026602
Cc1n[nH]c(c1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_37369170,PC-id_60723448	247.316	BTNJQAFCBDWLSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026603
Cc1nscc1NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320282387,MCULE-7087912327	247.316	XZUPSEDDTHLNMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026604
Cc1scc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316623761	247.316	JYRZGHMUDHDEOM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026605
C[C@@H]1Cn2c(COc3ccccc3)nnc2S1	CoCoCo_548172,ZINC22_108259,PC-id_713896	247.316	ALZYDFCPRUUCNQ-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026606
C[C@H]1Cn2c(COc3ccccc3)nnc2S1	ZINC22_108256,PC-id_713894,CoCoCo_548171	247.316	ALZYDFCPRUUCNQ-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-026607
Cn1nc2c(c1NC(=O)c1cccs1)CCC2	MCULE-7720223128,ZINC22_23135645,CoCoCo_5272989,PC-id_30859087,EMOLS-id_24910376	247.316	BNKVDRWMFOZJAP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026608
Cn1nnc(c1)CC(=O)c1sc2c(c1)CCC2	PC-id_107063133	247.316	LOVFTWQWNUVCEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026609
COc1ccc(cc1)Cn1nnc2c1SCC2	PC-id_146167095	247.316	JZDFZDXQLZCTJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026610
N#Cc1c(NC(=O)C2CC2N)sc2c1CCC2	PC-id_114996371	247.316	SNJKELSXEVDTQP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-026611
N#Cc1c(NC(=O)C2CNC2)sc2c1CCC2	PC-id_65965600,EMOLS-id_41584324	247.316	KFQKIAXMVHDZNF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-026612
N#CC1(C(=O)Nc2nc3c(s2)CCC3)CCC1	ZINC22_83795071,PC-id_78994988,MCULE-7275407842,EMOLS-id_314489811	247.316	CDPSGNPKGLRYNV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026613
N#Cc1c(sc2c1CCC2)NC(=O)C1(N)CC1	EMOLS-id_41268393,PC-id_65465356	247.316	SGRVZENLQDNBLA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-026614
O=c1[nH]ccnc1NCc1sc2c(c1)CCC2	PC-id_113243752	247.316	AEJDWNXUJYUJRJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026615
O=C(c1c2c(CCC2)[nH]n1)NCc1sccc1	PC-id_53530038,MCULE-6450720107,ZINC22_69630588,EMOLS-id_36271248	247.316	BBVRASIWUNXIHA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026616
O=C(c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_320121419,MCULE-7602804464	247.316	LGSWIKBMUCHXKF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026617
O=C(c1cscc1)NCc1cnc2n1CCC2	EMOLS-id_319156169	247.316	JLUGJJWRZJDEQI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026618
O=C(c1[nH]c2c(c1)CCC2)NCc1cnsc1	EMOLS-id_319976437,MCULE-5399615000	247.316	ZFEJMSFUGDRSFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026619
O=C(c1n[nH]c2c1CCC2)Nc1cscc1C	EMOLS-id_101120532	247.316	SZBPOSWBZIKUIB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026620
O=C(c1sc2c(c1)CCC2)Cc1ncnn1C	PC-id_114980050	247.316	QNTWYADMOZIMGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026621
O=C(c1sc2c(c1)CCC2)Nc1[nH]ncc1C	PC-id_113236930,EMOLS-id_314568244	247.316	YEQGQIBLOPRAIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026622
O=C(c1sc2c(c1)CCC2)NCc1cc[nH]n1	PC-id_47350994,EMOLS-id_38144165	247.316	PFWONCPQHOVWBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026623
O=C(c1sc2c(c1)CCC2)NCc1cn[nH]c1	PC-id_54897596,EMOLS-id_38010856	247.316	CAFIFGYTQROALX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026624
O=C(c1sc2c(c1)CCC2)NCc1nc[nH]c1	EMOLS-id_41419507,PC-id_65691196	247.316	MQBAJPWUWXGXCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026625
O=C(c1sc2c(c1)CCC2)NCc1[nH]ccn1	PC-id_64196806,EMOLS-id_40336976	247.316	CYGNIORTDZRZAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026626
O=C(N1CCn2c1ncc2)c1csc(c1C)C	MCULE-3665661593	247.316	PVRXAEVBAJCAJT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026627
s1c2CCCc2cc1CNC(=O)n1ccnc1	PC-id_78978148	247.316	SWYMPWPLLWKHKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026628
s1c2CCCc2cc1C(=O)Nc1nn(cc1)C	PC-id_39681490	247.316	BAGXRZIFFBMLJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026629
s1c(CC(=O)Nc2n[nH]c3CCCc23)ccc1	PC-id_9964851	247.316	OWGKSKZSHXHUFA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026630
Cc1cc(Nc2sc3c(n2)CCC3)nc(n1)N	PC-id_108204480	247.319	JXPDTHMCWVWGFO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026631
Nc1ncnc(n1)NCc1sc2c(c1)CCC2	PC-id_112746194	247.319	OORFECHYEOAWMM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026632
Fc1ccccc1C(c1sc2c(c1)CCC2)N	PC-id_113664412	247.331	SGBMVTBVMORMPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026633
Fc1cccc(c1)C(c1sc2c(c1)CCC2)N	PC-id_115791813	247.331	NXGLJBSLHZIUCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026634
s1c2c(CCC2)cc1C(N)c1ccc(F)cc1	PC-id_43463928	247.331	ZEMXMFNYXKUMRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026635
CC1CCC(N1C(=O)c1occ2c1CCC2)(C)C	EMOLS-id_102914799	247.333	OUIMWPFDNDYZHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026636
CCCCc1cn2c(c1)C(=CC2)C(=O)OC(C)C	PC-id_70449753,SCHEMBL10814921	247.333	DEOLTXDFRHRVHN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026637
OC(=O)c1cc2c([nH]1)CCC2CC1CCCCC1	SCHEMBL1005565,PC-id_44125116	247.333	OPZVQECVDWLTAA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-026638
c1(c2CCCc2[nH]n1)C(=O)N1CCCCC1CC	MCULE-5750921981,EMOLS-id_179744682,PC-id_110388871	247.336	KIYVITBQZOSUSX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026639
c1(c2CCCc2[nH]n1)C(=O)N(C)C1CCCCC1	MCULE-2185142412,EMOLS-id_334743477	247.336	ZICVLOUPTCWGGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026640
c1(C(=O)N2CCC(CC2)C)c2CCCc2n(C)n1	EMOLS-id_179745016,MCULE-6149847113,PC-id_110388983	247.336	LTWSCITUUROGSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026641
c1(C(=O)N2CCCCC2CC)cn2c(CCC2)n1	EMOLS-id_321298135,MCULE-7203711240	247.336	RNFRAJDSMDJFAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026642
c1(C(=O)N2CCCC(C)C2)c2CCCc2n(C)n1	EMOLS-id_179745238,MCULE-8207661355,PC-id_110389058	247.336	DCBNFSRRUBWSNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026643
c1(C(=O)N2CCCCCC2)c2CCCc2n(C)n1	EMOLS-id_179745247,PC-id_110389061,MCULE-2549697470	247.336	UARSDIZUCSKCQK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-026644
c1(C(=O)NC2CC2)c2CCCc2n(C(C)(C)C)n1	EMOLS-id_324387160,MCULE-1541653546	247.336	CSTZAXITEFIEPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026645
c1(C(=O)NC2CC2)c2CCCc2nn1CC(C)C	EMOLS-id_324393041,MCULE-9096705191	247.336	VOKUMHJNKAVWAD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026646
c1(C(=O)NC2CCCCC2)c2CCCc2n(C)n1	EMOLS-id_179745013,PC-id_110388982,MCULE-3190356579	247.336	BDRMOHVQTHKECX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026647
c1(C(=O)NC2CCCCC2C)c2CCCc2[nH]n1	EMOLS-id_323259830,MCULE-9646083298	247.336	XFNGJVXKFKWUQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026648
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1(C)CC1	EMOLS-id_331022007,MCULE-3317821067	247.336	HFFURZCRNLKAHV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026649
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1CCC1	MCULE-3690638298,EMOLS-id_331018425	247.336	OYMMONZHHYIEIW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026650
c1(C(=O)NC2CCCCCC2)c2CCCc2[nH]n1	PC-id_110388866,MCULE-7327337102,EMOLS-id_179744667	247.336	WYPVHTKHPKYHNL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-026651
c1(C(=O)NC2CCCCCC2)cn2c(CCC2)n1	MCULE-9808511166,EMOLS-id_321296599	247.336	IEMBSGFCNUADSJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-026652
c1(C(=O)NC)c2CCCc2n(CC2CCCC2)n1	MCULE-9928925708,EMOLS-id_324389718	247.336	LGRYOBVHPRXNMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026653
c1(C(=O)N(C)C)c2CCCc2n(CC2CCC2)n1	EMOLS-id_324387414,MCULE-4891120830	247.336	RCOAOLHRINOENW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026654
c1(C(=O)NCC)c2CCCc2nn1CC1CCC1	EMOLS-id_324390993,MCULE-8220064048	247.336	CFDOUVUEFLBMMB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026655
CC1CCC(C1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318800420	247.336	FYJRKHDUEQELNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026656
CC1CCCC1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318831779	247.336	BTCUTZKRGBLTLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026657
CC1CCCC1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318830964	247.336	SOFZEYXYMZHPOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026658
CC1CCCC(C)N1C(=O)c1n[nH]c2CCCc12	MCULE-6800545316,EMOLS-id_102345999,PC-id_110678724	247.336	WANYEYZQQWIBEB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026659
CC1CCCC(N1C(=O)c1cc2n(n1)CCC2)C	EMOLS-id_102844845	247.336	ATMDJSDUMGBEOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026660
CC1CC(C)CN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_102785834	247.336	QRQRBCPDSOEEAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026661
CC1CCCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_102821142	247.336	BDIMJABLEJKJSD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-026662
CC1CCCCN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102791527	247.336	GWFRCUSIUKIXMF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-026663
CC1CC(C)CN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102834303	247.336	DXOUOIXADOQMGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026664
CC1CCCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102476187	247.336	PLSOLKGTZYOQIK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-026665
CC1CC(C)CN(C1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_102562891,MCULE-6036721209	247.336	WFUKBMQJHIOUGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026666
CC1CCC(N1C(=O)c1cn2c(n1)CCC2)(C)C	EMOLS-id_102944416	247.336	ZMUUHOMERFPYLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026667
CC1CCC(N1C(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_102914472	247.336	ROBXJLZXAGNQBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026668
CC1CCCN(C1C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102948933	247.336	UQJKAKRFNHOZSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026669
CC1CCCN(C1C)C(=O)c1cnn2c1CCC2	EMOLS-id_102697679	247.336	PJNWUVPAWGJTKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026670
CC1CCCN(C1C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102912037	247.336	IZBPCUUCQOUPHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026671
CC1CCCN(C1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102734434	247.336	NRTUDSKSCRRQCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026672
CC1CCC(N(C1)C(=O)c1cn2c(n1)CCC2)C	EMOLS-id_102949038	247.336	LSBKPFKNVQJPMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026673
CC1CCC(N(C1)C(=O)c1cnn2c1CCC2)C	EMOLS-id_102816885	247.336	QODBFCQOKBYHTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026674
CC1CCC(N(C1)C(=O)c1nn2c(c1)CCC2)C	EMOLS-id_102851150	247.336	CJGCFTOXVTWNHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026675
CC1CCC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_102447324	247.336	HMPMYNQKVWXBOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026676
CC1CCCN(CC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_102787137	247.336	FZGYUKLNDBFBFK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-026677
CC1CCCN(CC1)C(=O)c1nc2n(c1)CCC2	EMOLS-id_102944305	247.336	KDVHJVICGAVNIW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-026678
CC1CCN(CC1C)C(=O)c1cnn2c1CCC2	EMOLS-id_102697664	247.336	ISZSJCYTPPSFIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026679
CC1CCN(CC1C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102853685	247.336	VQLBWIQSBYORJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026680
CC1CCN(CC1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102494020	247.336	UYSDFDWCQODYAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026681
CC1CN(C(C1)(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_102697595	247.336	USKTZXVHJSBTPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026682
CC1CN(C(C1)(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102845949	247.336	RNEMJIMLAKOVJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026683
CC1CN(C(C1)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102623888	247.336	VFFZOSLBCWESED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026684
CC1CN(C(C1C)C)C(=O)c1n[nH]c2c1CCC2	MCULE-5311016033,PC-id_146092530,EMOLS-id_324046373	247.336	CEJFXQPZBSPQKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026685
CCC1(C)CC1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318920066	247.336	UJWQVFQNCCNWHU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026686
CCC1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319128062	247.336	SVIDJRWHHXMATO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026687
CCC1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319759657	247.336	JQUHOSNFGBKKRO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026688
CCC1(C)CC1C(=O)NCc1n[nH]c2c1CCC2	MCULE-9627860861,EMOLS-id_320177616	247.336	AVHYQGBTRIKBBW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026689
CCc1nc2c(n1C(C)C)C(=O)/C(=C/N(C)C)/C2	PC-id_142345882	247.336	JLYXDNMJKPWJRB-CSKARUKUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026690
CC(CC(=C)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_319539721	247.336	PWBOMOPEOFMFHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026691
CC(CC(=C)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_319387424	247.336	VKXVLWLWBQRDLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026692
CC(=C)C(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_319334125	247.336	VLDBWLLXMTWEEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026693
CCC[C@@H]1C[C@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318916717	247.336	VXSJYSJBNGWAHX-ZYHUDNBSSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026694
CCC(C(=O)NCc1cnc2n1CCC2)(C=C)C	EMOLS-id_319561486	247.336	JLKJDPGATMCGNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026695
CCCN(CC1CC1)C(=O)c1n[nH]c2c1CCC2	ZINC22_95949466,MCULE-2911112890,PC-id_75461229,EMOLS-id_48338360	247.336	VEBPCORRAPNIBL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026696
C[C@@H]1CCC[C@@H](N1C(=O)c1cc2n(n1)CCC2)C	EMOLS-id_102922923	247.336	ATMDJSDUMGBEOA-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026697
C[C@@H]1CCC[C@@H](N1C(=O)c1nc2n(c1)CCC2)C	EMOLS-id_102950373	247.336	UELLZPFGCMYRRH-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026698
C[C@@H]1CCN([C@@H](C1)C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102947264	247.336	AHBMKJOYUDKZLU-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026699
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](C)[C@@H]1C	ZINC22_416314777	247.336	CEJFXQPZBSPQKK-BBBLOLIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026700
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](C)[C@H]1C	ZINC22_416314778	247.336	CEJFXQPZBSPQKK-KXUCPTDWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026701
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](C)[C@@H]1C	ZINC22_416314779	247.336	CEJFXQPZBSPQKK-OPRDCNLKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026702
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](C)[C@H]1C	ZINC22_416314780	247.336	CEJFXQPZBSPQKK-UTLUCORTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026703
CCn1nc(c2c1C/C(=C/N(C)C)/C2=O)C(C)C	PC-id_142345852	247.336	ZVOSMSSWVDOSGO-NTMALXAHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026704
CC(NC(=O)c1n[nH]c2c1CCC2)CCC1CC1	EMOLS-id_100000768	247.336	GSRTWQGGPOPFTJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026705
CN(/C=C
/C(C)c2c(C1=O)c(n(n2)C)C(C)C)C	PC-id_142345787	247.336	MFMAKTFWMVAHIZ-YFHOEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026706
O=C(C1CC(C1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319714455	247.336	CHMFPAXMMJUVBA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026707
O=C(C1CCC1(C)C)NCc1cnc2n1CCC2	EMOLS-id_319860749	247.336	VDIVSPQFSCKURV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026708
O=C(C1CC(C1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318821853	247.336	PXDQCJBRXZFFCJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026709
O=C(C1CCC1(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319155453	247.336	XTUQVUBOLGVHLW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026710
O=C(C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_318805853	247.336	JAXVNJDBLKBRGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026711
O=C(C1(C)CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319498093	247.336	YDKSTMFMIJNLMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026712
O=C(C1(C)CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319156023	247.336	HVKSJECGLVVBPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026713
O=C(c1cn2c(n1)CCC2)N1CCCC(C1)(C)C	EMOLS-id_102942487	247.336	CGSWDKBRMDXOIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026714
O=C(c1cnn2c1CCC2)N1CCC(CC1)(C)C	EMOLS-id_102830847	247.336	CUTPALWEIODDKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026715
O=C(c1cnn2c1CCC2)N1CCCC(C1)(C)C	EMOLS-id_102846861	247.336	DPKXPQXPEPKDBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026716
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)(C)C	EMOLS-id_102842882	247.336	QKYFNLKZOQQDFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026717
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)(C)C	EMOLS-id_102846900	247.336	CUOJMVHCBXPMPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026718
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)(C)C	EMOLS-id_102344557	247.336	GYKQYLLVVQFNJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026719
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)(C)C	EMOLS-id_102718435	247.336	BKNPFSALRCXJQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026720
O=C(c1n[nH]c2c1CCC2)NCC1CCCCC1	EMOLS-id_110313086	247.336	ZTYXDOYJHNTUMS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026721
O=C(C(C1CC1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318976143	247.336	YQBPLMNYIZVTSN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026722
O=C(C(C1CC1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319332346	247.336	ZZLUYSHJCLYHNQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026723
O=C(C(C1CCC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319609576	247.336	LRALHYCIXREMMJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026724
O=C(CC1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319089500	247.336	ZWJMDHHXKFLJGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026725
O=C(CC(C1CC1)C)NCc1cnc2n1CCC2	EMOLS-id_319106097	247.336	BQXPOHPKWOEZBY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026726
CCS(=O)(=O)N1Cc2c(C1)[nH]nc2SC	SCHEMBL20462821,PC-id_135296139	247.338	YPYYZQXWLZJLEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026727
Cn1nc2c(c1N(S(=O)(=O)C)C)CSC2	PC-id_59820668,SCHEMBL14024329	247.338	YWVFBYSLMGDZLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026728
NCCS(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357543,PC-id_61511659	247.338	XLLKDYSUYQESBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026729
S1c2n(CC1)cc(n2)CCNS(=O)(=O)C	PC-id_7640520	247.338	ZEHIDVWSELCAPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026730
S(=O)(=O)(N1Cc2sc(nc2C1)N)CCC	PC-id_82194233	247.338	OJKGXWHJEPUCNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026731
S(=O)(=O)(Nc1sc2c(n1)CNC2)CCC	PC-id_82194122	247.338	KJDXABWKYFBLOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026732
c1(C(N)c2cccs2)c2CCCc2oc1CC	PC-id_83610236,MCULE-2237770003	247.356	FCNRJTTUBVHKCL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-026733
CC1=CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102578001	247.356	LSUAUWSPCULDTI-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-026734
Cc1ccc(o1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138511,PC-id_61208934	247.356	MQIHCKYWRHATIW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026735
CC1=CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102294507	247.356	VFUXQHFQFDLJHF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-026736
C=C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102364016	247.356	SCYAMCAWUHFKCC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-026737
Cc1ccoc1CNCc1sc2c(c1)CCC2	EMOLS-id_315925375,PC-id_113243110	247.356	OJHHXSMGSYRXNS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026738
C#CCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_103758031	247.356	ZTWTYOMODKOXGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026739
C#CCC(NC(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_315916921,PC-id_115647141	247.356	QXIHAISUKNXKCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026740
CCCC(NC(=O)c1sc2c(c1)CCC2)C#C	PC-id_103529002	247.356	AFOPJBJSLAPYMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026741
CONC1CCc2c1cc(s2)Br	EMOLS-id_114806959	248.14	PQIMBHBXUYENRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026862
CCCN(C(=O)c1sc2c(c1)CCC2)CC#C	PC-id_78970817,EMOLS-id_315685032	247.356	UTHYDCJUBCPRKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026742
CCNC(c1sc2c(c1)CCC2)c1ccoc1	PC-id_115855687	247.356	PCJSMFZVXSABIY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026743
CNC(c1sc2c(c1)CCC2)Cc1ccco1	PC-id_105029103	247.356	GSWYYBFTIDGYDQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026744
CNC(c1sc2c(c1)CCC2)Cc1ccoc1	PC-id_113672726	247.356	PKWHAZKGEVIIMT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026745
NC(c1oc(c(c1)C)C)c1sc2c(c1)CCC2	PC-id_114248886	247.356	MDUAAODKQHVCJO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026746
N#CC(C(=O)c1sc2c(c1)CCC2)CC(C)C	EMOLS-id_38473712,PC-id_61647244	247.356	UDNQXSKXZHECOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026747
s1c2c(CCC2)cc1C(N)c1c(oc(c1)C)C	PC-id_61715032	247.356	VKMHWOCWOJNYIB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026748
s1c2c(CCC2)cc1C(N)c1oc(cc1)CC	PC-id_62344972	247.356	ZDLKZIMJFZDVIU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026749
s1c2c(CCC2)cc1CNC(c1ccoc1)C	PC-id_80240011	247.356	BZINWQKQEDRSHX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026750
s1c2c(CCC2)cc1CNC(c1occc1)C	PC-id_61208545	247.356	KELQZDMZMRQVBR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026751
s1c2c(CCC2)cc1C(NC)c1oc(cc1)C	PC-id_61712456	247.356	WORBLAHIAQJXKB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026752
s1c2c(CCC2)cc1C(NCC)c1occc1	PC-id_61712236	247.356	GORIJNWBKNYINM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-026753
Cc1nc[nH]c1CNCc1sc2c(c1)CCC2	EMOLS-id_39344768,PC-id_55114834	247.359	QWZFQAVRIQJMSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026754
Cc1[nH]cc(n1)CNCc1sc2c(c1)CCC2	PC-id_62743668,EMOLS-id_39345773	247.359	OGYSXZREXIAGAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026755
Cc1n[nH]cc1CNCc1sc2c(c1)CCC2	EMOLS-id_38138589,PC-id_61209139	247.359	PKEYSHURTFLVFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026756
C(Cn1cccn1)NCc1sc2c(c1)CCC2	EMOLS-id_38346234,PC-id_54961829	247.359	ZOYNLHKZURZFTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026757
CCn1ccnc1NCc1sc2c(c1)CCC2	PC-id_62138790,EMOLS-id_38819600	247.359	OGJNIVGKNRTJCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026758
CCn1nccc1C(c1sc2c(c1)CCC2)N	PC-id_113667547	247.359	WZFSFSYDXPSTCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026759
CCn1ncc(c1)C(c1sc2c(c1)CCC2)N	PC-id_115815576	247.359	HHBVSJMRDAEKRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026760
Cn1ccc(n1)CC(c1sc2c(c1)CCC2)N	PC-id_113672185	247.359	ZAPGHFRSGWDMHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026761
Cn1ccc(n1)CNCc1sc2c(c1)CCC2	PC-id_78943555,EMOLS-id_314838299	247.359	XKWXRGIESXLVEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026762
Cn1ccnc1CNCc1sc2c(c1)CCC2	PC-id_61208174,EMOLS-id_38138693	247.359	ORUINFUYRVQPSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026763
Cn1cncc1CNCc1sc2c(c1)CCC2	EMOLS-id_39794846,PC-id_63378570	247.359	DUEIXJSZEFTHQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026764
Cn1ncc(c1)CC(c1sc2c(c1)CCC2)N	PC-id_115821292	247.359	BSBLNMBQSPBBEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026765
Cn1ncc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138551,PC-id_61206648	247.359	VQELKXDBQDDFEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026766
Cn1nccc1CNCc1sc2c(c1)CCC2	PC-id_61208946,EMOLS-id_38138587	247.359	CCGJVQALTZQEAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026767
CNC(c1ccnn1C)c1sc2c(c1)CCC2	PC-id_113667620	247.359	JIPUCWRMHMYQOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026768
CNC(c1sc2c(c1)CCC2)c1ccn(n1)C	PC-id_103135673	247.359	DPXYAWIKIFYECG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026769
NC(c1sc2c(c1)CCC2)Cc1nccn1C	PC-id_113670864	247.359	KWWMLJAMCUKOPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026770
s1c2c(CCC2)cc1C(N)c1n(CC)ccn1	PC-id_61314770	247.359	ZJFNBOPMDKTIRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026771
s1c2c(CCC2)cc1C(NC)c1cn(nc1)C	PC-id_43485848	247.359	OFJFLDLOQBPVMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026772
s1c2c(CCC2)cc1C(NC)c1n(ccn1)C	PC-id_61314272	247.359	NMOPNYIWWCMNPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026773
s1c2c(CCC2)cc1CNC(c1[nH]ncc1)C	PC-id_61206675	247.359	ICEWDKOEMLAHBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026774
s1c2CCCc2cc1C(NC)Cc1[nH]ccn1	PC-id_43487045,MCULE-8047397784	247.359	KPQVVUPPSIZTMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026775
o1c2c(c(CNC3CCCC3)c1C(C)C)CCC2	PC-id_83610284	247.376	HJMLYUQULWIFNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026776
o1c2c(c(CNC3CCCC3)c1CCC)CCC2	PC-id_83610356	247.376	FHPLHXOBPZRYKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026777
CC1CCc2c1nc([nH]2)C(C1CCCCC1)(N)C	PC-id_102970195	247.379	JJICMLCEPQXRJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026778
CC1CC(c2n1ccn2)NC1CCC(CC1)(C)C	EMOLS-id_102660860	247.379	MNEVUCLODSNQJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026779
Cc1cnc2n1CC[C@@H]2NC[C@@H]1CCC[C@@H](C)C1	ZINC22_2325777876	247.379	LNNQXDDBMBTYEQ-BNOWGMLFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026780
Cc1cnc2n1CC[C@@H]2NC[C@H]1CCC[C@H](C)C1	ZINC22_2325777877	247.379	LNNQXDDBMBTYEQ-UBHSHLNASA-N	00000010100010000001000010000000000000000000000000000000	25-01-026781
Cc1cnc2n1CC[C@@H]2NC[C@H]1CCC[C@@H](C)C1	ZINC22_2325777878	247.379	LNNQXDDBMBTYEQ-XBFCOCLRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026782
Cc1cnc2n1CC[C@@H]2NC[C@@H]1CCC[C@H](C)C1	ZINC22_2325777879	247.379	LNNQXDDBMBTYEQ-YUTCNCBUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026783
Cc1nc2c(n1C)C(N=C2C(C)(C)C)C(C)(C)C	SCHEMBL14595098,PC-id_58796831	247.379	XHGCIALDOUUBOC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026784
CCC1CCc2c1nc([nH]2)C(NCC1CCC1)C	PC-id_113759072	247.379	HBZQDPMQVCIMBX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026785
CC(C1CCCC1)n1nc2CCC(C)c2c1CN	EMOLS-id_330998193,MCULE-2640783492	247.379	DDPLLJOMJWIHQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026786
CC(C1CCCCC1)n1nc2CCC(C)c2c1N	MCULE-4380051982,EMOLS-id_331011499	247.379	OWQQUXYJKIERCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026787
CC(N1C(=C)c2c(C1C(C)C)c(n[nH]2)C(C)C)C	PC-id_58045286,SCHEMBL10122062	247.379	RGGBPPLNANINKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026788
CNCc1c2CCCc2nn1CC1CCCCC1	EMOLS-id_324390494,MCULE-9682959856	247.379	KOJYNHWVFXUGFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026789
CC(C#CCNCc1sc2c(c1)CCC2)(C)C	PC-id_114189841	247.399	RAWBKISRPDXHPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026790
CCCNC(c1sc2c(c1)CCC2)CC#CC	PC-id_115819441	247.399	JJIJZTULNMTLDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026791
CCCNC(c1sc2c(c1)CCC2)CCC#C	PC-id_115859233	247.399	LXEBZJZRCFZCDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026792
CCNC(c1sc2c(c1)CCC2)CCCC#C	PC-id_105034145	247.399	KTKJMCGHCJAFJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026793
CCNC(c1sc2c(c1)CCC2)CCC#CC	PC-id_113673582	247.399	LKJNUZJZHWIYPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026794
s1c2c(CCC2)cc1C(N)C1=CCCCCC1	PC-id_55033986	247.399	XKACFAQPFNZKCD-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-026795
s1c2c(CCC2)cc1C(NC)C1=CCCCC1	PC-id_55034222	247.399	XWGQLDFYEARQFK-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-026796
s1c2c(CCC2)cc1CNCC1CCC=CC1	PC-id_61207023	247.399	RAGGOMPGPQQROL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-026797
s1c(CNC(C2CC2)C2CC2)cc2c1CCC2	PC-id_61208546	247.399	FUWHJLHTABBPCK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-026798
s1c(C(NCC)C2=CCCC2)cc2c1CCC2	PC-id_55034274	247.399	LTVLOLRMMSBYAE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026799
C[Si](=C1C(=Cc2c1ccn2[Si](C)(C)C)C)C	SCHEMBL6548632,PC-id_69821404	247.484	HJAYPTAXCYNNHP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026800
Clc1ccccc1Cn1cc2c(c1)COC2=O	PC-id_102236454	247.677	ISPVQYDCDUBCNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026801
Clc1ccc(cc1)Cn1ccc2c1COC2=O	PC-id_117967893,SCHEMBL16586057	247.677	YDEQPAZVJRWIIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026802
Clc1ccccc1Cn1ncc2c1CNC2=O	PC-id_110171012	247.68	KDQUGMRMXIEFMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026803
Clc1cccc(c1)Cn1ncc2c1CNC2=O	PC-id_110171020	247.68	HPBRTDAKDZCQIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026804
Clc1nc2SCCn2c1COC(=O)NC	LI_187425,PC-id_333005,CoCoCo_5604881,NSC332710	247.702	ZWAOHMKESLAHIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026805
Cc1ccc(c(c1)Cl)NC1CCn2c1ncc2	MCULE-7927319892,EMOLS-id_313136184	247.723	VWPVNGRVXWZNMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026806
Cc1ccc(N[C@@H]2CCn3ccnc23)c(Cl)c1	ZINC22_294237782	247.723	VWPVNGRVXWZNMR-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026807
Cc1ccc(N[C@H]2CCn3ccnc23)c(Cl)c1	ZINC22_294237786	247.723	VWPVNGRVXWZNMR-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026808
Clc1cccc(c1)Cn1nc2c(c1N)CCC2	EMOLS-id_41192213,PC-id_65348782	247.723	ANSCYLBRRNOQOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026809
Clc1ccccc1Cn1nc2c(c1N)CCC2	EMOLS-id_41192215,PC-id_65348783	247.723	RXYIPDBGOASGGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026810
Clc1ccc(cc1)Cn1nc2c(c1N)CCC2	PC-id_65348737,EMOLS-id_41192211	247.723	PEMVDDLDANIGJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026811
Clc1sc2CCC(NOCCOC)c2c1	PC-id_82715420,EMOLS-id_315030749	247.742	VAABYJAZRKONMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026812
Clc1sc2c(C(NC(CO)CO)CC2)c1	EMOLS-id_313596127,PC-id_81252198	247.742	MNPXBEVRQAFPNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026813
Clc1sc2c(C(NCC(O)CO)CC2)c1	PC-id_81252306	247.742	QLWVQUOASZAMSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026814
ClS(=O)(=O)CCc1c2c([nH]c1C)CCC2	PC-id_84803434	247.742	LRYGGGJOMJOVQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026815
Clc1ccc(cc1)C[n+]1c(C)cn2c1CCC2	PC-id_33778288,CoCoCo_5900462	247.743	CYUOYMDJEKVSPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026816
[Te]=C1C=Cc2c1scc2	PC-id_101715009	247.772	KDBHULKKOVUPAV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026817
Clc1sc2c(C(NCCSC)CC2)c1	PC-id_81251625,EMOLS-id_313684556	247.808	GQZYTHPUAYQCQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026818
C1CC2=C(C1)N(C(=C2)N)I	PC-id_148125279	247.981	JTZMJYXFYBEZCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026819
C1CC2=C(C1)N(C=C2N)I	PC-id_149348384	247.981	YFNDVINNQLLCAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026820
C1CC2=C(C1N)C=CN2I	PC-id_153246970	247.981	WSOLANPJZGNMDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026821
C1CC2=C(C1N)N(C=C2)I	PC-id_147285657	247.981	CTEIKOZCJCVRJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026822
C1CC2=CC(=NN2C1)CI	PC-id_165179152	247.981	VQDJNXHUAZYCIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026823
C1C(CC2=C1C=CN2I)N	PC-id_152909343	247.981	UGWQRLINTUKSPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026824
CC1=NN2CCCC2=C1I	PC-id_148332994	247.981	LFDZBONFNXNTKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026825
CN1CC2=CN(C=C2C1)I	PC-id_148646654	247.981	NLBXVDATCNYAEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026826
B1(c2c(ccs2)C(O1)P(=O)(OC)OC)O	PC-id_134862409	248.001	CQZIJSIDMVMKAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026827
Ic1cc2CNC(=O)n2c1	PC-id_118368832,MCULE-4845710251,EMOLS-id_317487058,SCHEMBL17080566	248.021	LJKAAROXLAXMMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026828
BrCC1Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_460735	248.034	PDWWZOLSINWCMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026829
BrC[C@H]1Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_73953241	248.034	PDWWZOLSINWCMB-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026830
CC1Cn2c(O1)nc(Br)c2[N+](=O)[O-]	PC-id_134851099,EMOLS-id_252309925,MCULE-3488404451	248.034	KHDMINUWJMHAES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026831
C1c2c([nH]nc2C(N1C#N)Cl)Cn1ccnc1	PC-id_163976809	248.058	SUVZLIFBQWAJBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026832
C1C(OC2=CC(=NN21)C(=O)O)CCOC(F)F	PC-id_153545753,EMOLS-id_337762251	248.061	LUHJYBQFGXOJFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026833
c12C(C)CCc1n[nH]c2I	EMOLS-id_330967223,MCULE-1748924226	248.064	XSDIMRXZMWVZEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026834
CC1Cc2c(I)cnn2C1	SCHEMBL18338424,EMOLS-id_195883194,MCULE-2854361667	248.064	OZHAILSEMJRVOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026835
Cn1c2c(CCC2)c(I)n1	MCULE-7423891029,SCHEMBL14737830,EMOLS-id_261670155,PC-id_71280003	248.064	ZPSXBVDEDGNXBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026836
Cn1c(I)c2CCCc2n1	SCHEMBL14738537,PC-id_71280498,EMOLS-id_194695624,MCULE-5694208210	248.064	OVDTVXBTNMMQNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026837
C1CC2=C(C1)NN=C2CC(=O)NC3=NC=CS3	PC-id_153523381	248.073	JLEJUAGMFLINAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026838
Brc1c2NCCc2sc1C(=O)O	PC-id_82383623	248.097	USFKNEUVHZZYMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026839
Brc1sc2CCC(c2n1)C(=O)O	SCHEMBL1155462,PC-id_57907445	248.097	JLPQCXJJESTZQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026840
Brc1scc2c1[C@@H](N)[C@@H](O)C2=O	CoCoCo_5731215,PC-id_380536	248.097	BDWMVARHDFOHMR-INEUFUBQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026841
Brc1scc2c1C(N)C(O)C2=O	PC-id_499222	248.097	BDWMVARHDFOHMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026842
c1(C(=O)N)c2COCc2sc1Br	MCULE-3715857183,EMOLS-id_331063840	248.097	XDQCAUGFPRNOAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026843
c1(C(=O)O)c2CNCc2sc1Br	PC-id_83679811,EMOLS-id_331066924,MCULE-4856860273	248.097	JGWBNTPICHSAMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026844
O[C@@H]1C(=O)c2c([C@H]1N)c(sc2)Br	CoCoCo_5731216	248.097	BDWMVARHDFOHMR-XINAWCOVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026845
O[C@H]1C(=O)c2c([C@@H]1N)c(sc2)Br	CoCoCo_5731217	248.097	BDWMVARHDFOHMR-UJURSFKZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026846
O[C@@H]1C(=O)c2c([C@@H]1N)c(sc2)Br	CoCoCo_5731218	248.097	BDWMVARHDFOHMR-NJGYIYPDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026847
OC(=O)C1(Br)Cc2c(S1)[nH]cc2	PC-id_140433581	248.097	COMHQEKMYBDXNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026848
OC(=O)c1sc2CNCc2c1Br	EMOLS-id_330017803	248.097	HUHWFLHVJQLKPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026849
Brc1sc2NC(Cc2n1)C(=O)N	PC-id_68538959,SCHEMBL3177006	248.1	LCWZZYRMJPAUHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026850
Brc1c2CCCc2sc1CNO	PC-id_84803545	248.14	QQLFTSHNMZCNJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026851
Brc1sc2c(c1N)C(OC2)(C)C	EMOLS-id_96444466	248.14	XBLUFXZJWUMDKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026852
Brc1sc2C(CC(O)c2c1)CN	PC-id_84049326	248.14	AKPJLKOFZVGYGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026853
Brc1sc2c(C(N)(CC2)CO)c1	PC-id_83912960	248.14	PEPUYRDIAJGNCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026854
Brc1sc2c(C(O)(CC2)CN)c1	PC-id_83912958	248.14	UIZAATDMDSAECI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026855
Brc1sc2C(N)(CCc2c1)CO	PC-id_83912959	248.14	PQLVAMCHFBDYPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026856
Brc1sc2C(O)(CCc2c1)CN	PC-id_83912957	248.14	SYWUFNKCQUTJSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026857
c12CN(Cc1sc(Br)c2CO)C	EMOLS-id_331066408,MCULE-2639765959	248.14	FJTZMHFFRAHGFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026858
c12CN(Cc1sc(CO)c2Br)C	MCULE-1851396726,EMOLS-id_330872134	248.14	NWWAPFAYMQXQNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026859
c1(CBr)c2CNCc2sc1OC	EMOLS-id_331066923,MCULE-1511600455	248.14	RSLSKWYFBDBMBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026860
c1(CNC)c2COCc2sc1Br	MCULE-9887959403,EMOLS-id_331064096	248.14	RVJULTIPIPSLPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026861
CC1=C2CC(C(=O)C2=C(N1)C)CN3CCOCC3	PC-id_154302498	248.152	ZOLOXZZWAOYZPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026863
CCCCC(CC)CN1C=C2C(=C1O)C=NC2=O	PC-id_153988517	248.152	VZYKAWSNFIPOQR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-026864
FC(F)(F)c1nn(c2CCC(=O)c12)CC(=O)O	SCHEMBL14484637,PC-id_71185089	248.159	UXWDZJUXYBJGKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026865
FC(F)(F)c1n[nH]c2CC(C(=O)c12)CC(=O)O	SCHEMBL14484551,PC-id_71185030	248.159	CNKCSTZRGPGEBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026866
OC(=O)Cn1nc(c2c1C(=O)CC2)C(F)(F)F	PC-id_140302605	248.159	DFBRCGCXMFCVLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026867
ClC(=C)CNC1CCc2c1cc(s2)Cl	EMOLS-id_266588113,PC-id_115891094	248.172	UDDUHVJIBHBBKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026868
o1c(C(=O)N2CCn3c2ncc3)ccc1[N+](=O)[O-]	PC-id_12438610	248.195	SIWHPYMMIMHQOS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026869
c1(C(F)(F)F)oc2c(CCC2)c1CCC(=O)O	MCULE-1386005748,PC-id_83610583	248.198	PUNJLEGTTLFTJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026870
c1(C(F)(F)F)c2CCCc2n(CC(=O)OC)n1	BAS-02104868,CoCoCo_234639,ZINC22_286834,EMOLS-id_1370107,MCULE-5743307749,PC-id_788045	248.202	VTEZFSZBHQUQON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026871
c1(C(F)(F)F)n[nH]c2CC(C(=O)OCC)Cc12	MCULE-5272180675,EMOLS-id_317436716	248.202	LCMAKBLMAOJYGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026872
c1(C(=O)O)c2C(C)CCc2n(CC(F)(F)F)n1	EMOLS-id_330987258,MCULE-3878730669	248.202	ZIQCERCZRAOSKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026873
CC1Cc2nn(CC(=O)O)c(c2C1)C(F)(F)F	EMOLS-id_337931815	248.202	XGCMBGZDLRPGDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026874
CC1CCc2nn(CC(F)(F)F)c(C(=O)O)c12	MCULE-1546160230,EMOLS-id_330971579	248.202	SELQSZJUWLBMOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026875
CC(C(=O)O)n1nc(c2CCCc12)C(F)(F)F	PC-id_19616916,MCULE-6348072631,EMOLS-id_8873472	248.202	WMFULLMJQHHBFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026876
C[C@@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2	CoCoCo_6654099,PC-id_42574010,ZINC22_12394745	248.202	WMFULLMJQHHBFB-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026877
C[C@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2	PC-id_42574013,ZINC22_12394747,CoCoCo_6654100	248.202	WMFULLMJQHHBFB-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026878
COC(=O)c1c2CCCc2nn1CC(F)(F)F	MCULE-4015323577,EMOLS-id_317867005	248.202	LTQVNZOWDVVRLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026879
COC(=O)c1nn(CC(F)(F)F)c2CCCc12	EMOLS-id_337888553	248.202	BWSRKPSBNNMXQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026880
OC(=O)CC(c1n[nH]c2CCCc12)C(F)(F)F	EMOLS-id_314015548,MCULE-6156279195	248.202	AHYJRLGBSAYOEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026881
c1(C(F)(F)F)c2CCCc2n(CC(=O)NN)n1	CoCoCo_6654170,PC-id_19616747,EMOLS-id_8873195,MCULE-3734444163	248.205	SNCWUPAEAANLRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026882
FC(F)(F)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_60707623	248.205	UWLVHVZYQAYXJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026883
FC(F)(F)C(=O)NC(c1n2CCCc2nn1)C	PC-id_63374671,EMOLS-id_96790590	248.205	PXMSRGDIPOANGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026884
CC([BH-]1CC([n+]2c1n(cc2)C(C)(C)C)(C)C)(C)C	1516562_OpenMolecule	248.215	YYCRUIFTZKPPNH-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026885
Cc1cc(on1)CNC(=O)c1cc2n(n1)CCO2	EMOLS-id_99563527	248.238	USXNCZKOLVSMJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026886
CCOc1occ(n1)C(=O)N1CCn2c1ncc2	EMOLS-id_316582095	248.238	CZWLCBLGPZHLPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026887
O=C1NC(=O)C(C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318936380	248.238	CVMMNUAUVGGHFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026888
O=C(c1nn2c(c1)OCC2)NCc1cnoc1C	EMOLS-id_318899735	248.238	FXONUCHTLHNOFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026889
CC(n1nc2CCC(C)c2c1CO)C(F)(F)F	MCULE-7664323896,EMOLS-id_330992307	248.245	BOFGSGUSPVYGTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026890
CC(n1nc(CO)c2C(C)CCc12)C(F)(F)F	EMOLS-id_331009528,MCULE-5530985937	248.245	XMACBCRWXREZTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026891
CCn1nnnc1NC(=O)N1CCn2c1ncc2	EMOLS-id_316477581	248.245	KQOIMPIWDQFARA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026892
O=C(N(Cc1n2CCCc2nn1)C)c1n[nH]nn1	PC-id_80369967	248.245	JMBHJSYBAWLFJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026893
O=C(NC(c1n2CCCc2nn1)C)c1n[nH]nn1	PC-id_80373719	248.245	ZNJXYQIVGYPLBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026894
c12CN(Cc1nn(C)c2CNC)CC(F)(F)F	EMOLS-id_324352353,MCULE-8557482053	248.248	FUFJPLOEMPISJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026895
c12CN(Cc1nn(C(C)C)c2N)CC(F)(F)F	MCULE-4784353031,EMOLS-id_324339556	248.248	YMXZLACNAYKHHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026896
CN(C)Cc1c2CNCc2nn1CC(F)(F)F	MCULE-3567709082,EMOLS-id_324351077	248.248	SIHPUSPOGGRQRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026897
NCCC(C(F)(F)F)Cc1nnc2n1CCC2	PC-id_112737779	248.248	MRXAZNCGPPULBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026898
c1(C(=O)OC)c2CSCc2nn1CC(F)F	MCULE-1564643792,EMOLS-id_324398426	248.25	HGWJWGCNSXWGKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026899
FC(CNc1nc2c(s1)CCC2C(=O)O)F	PC-id_104289168,EMOLS-id_261024663	248.25	YEPJCTFEUZFWQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026900
C=C/C=C(C=C(C1COc2n1c(C=O)cn2)/C)/F	PC-id_142091444	248.253	QIVKGXPHQIWFOE-KPBNKTSESA-N	00000010100000000001000010000000000000000000000000000000	25-01-026901
O=s1ccc2c1oc(=O)n2Cc1cccnc1	PC-id_142674399	248.258	IDLXGNWVGVHWAT-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-026902
O=s1ccc2c1oc(=O)n2Cc1ccncc1	PC-id_142674388	248.258	XYWZNSBCIAUNJS-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-026903
n12ncnc1sc(=CNCc1ccco1)c2=O	MCULE-3490167533	248.261	UJHAWTLWHWWKPI-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-026904
O=c1/c(=C/NCc2ccco2)/sc2ncnn12	PC-id_117588281,ZINC22_256055795	248.261	UJHAWTLWHWWKPI-YVMONPNESA-N	00000000101000000001000010000000000000000000000000000000	25-01-026905
S1Cc2c(noc2NC(=O)c2nccnc2)C1	PC-id_49720115	248.261	WYDHZEHFVQPSPW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-026906
O=C(c1sc2c(c1)CCC2)CCC(F)(F)F	PC-id_114976587	248.265	CXURRFFEYPLQLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026907
c12C(C)CCc1nn(Cc1c(cccc1F)F)c2	EMOLS-id_330999205,MCULE-7718466637	248.271	SLZMEXKCSICYEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026908
c12C(C)CCc1nn(Cc1ccc(cc1F)F)c2	EMOLS-id_331001252,MCULE-8179683517	248.271	OOIQREBBFDKFIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026909
c12C(C)CCc1nn(Cc1cccc(F)c1F)c2	EMOLS-id_330998949,MCULE-4011242407	248.271	UGQAORFTBUYMQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026910
c12C(C)CCc1nn(Cc1ccc(c(F)c1)F)c2	EMOLS-id_331000996,MCULE-5793470454	248.271	ZJEXKPLCIGLFMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026911
c12C(C)CCc1nn(Cc1cc(F)ccc1F)c2	MCULE-8308327997,EMOLS-id_330999461	248.271	DAFXHGSEJPHGCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026912
c12C(C)CCc1nn(Cc1cc(F)cc(F)c1)c2	EMOLS-id_331001509,MCULE-4080627727	248.271	ZECPUVRJGVFTFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026913
CC1CCc2c1cnn2Cc1cccc(F)c1F	MCULE-4913589053,EMOLS-id_331017191	248.271	ANLLKRJPTQUJDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026914
CC1CCc2c1cnn2Cc1ccc(F)cc1F	MCULE-2520368970,EMOLS-id_331015399	248.271	UIAPRSJIJGSYJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026915
CC1CCc2c1cnn2Cc1ccc(F)c(F)c1	MCULE-5382367988,EMOLS-id_331015143	248.271	NRNZMRKPRMNZTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026916
CC1CCc2c1cnn2Cc1cc(F)ccc1F	MCULE-2852645512,EMOLS-id_331017703	248.271	BKVBHQYBBGVMFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026917
CC1CCc2c1cnn2Cc1cc(F)cc(F)c1	MCULE-1717227002,EMOLS-id_331015656	248.271	GVGWLLHCMZRAQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026918
CC1CCc2c1cnn2Cc1c(F)cccc1F	EMOLS-id_331017447,MCULE-5614993866	248.271	XMAHNWYBGRFJOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026919
C/C=C/C(=O)N1[C@@H](C(C)C)c2c(C1=O)c(on2)C	CT-id_7111856,PC-id_102228462,7111856_OpenMolecule	248.278	PHEAODQDOSVWKZ-FYJFLYSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026920
CCOC(=O)/C=c
/c(c(c2=NCCn12)CC=C)O	PC-id_135451430	248.278	ILFGVTMMDKMLOK-NTMALXAHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-026921
CN1CCN(C(=O)c2occ3c2CCC3)CC1=O	MCULE-2389062952,EMOLS-id_102712434,ZINC22_335945363	248.278	FZFOAOWHGNQNSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026922
c12CN(Cc1nn(CCC)c2C#N)C(=O)OCC	MCULE-9567842938,EMOLS-id_324355945	248.281	XLMDLGSUBFFFRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026923
c1(C(=O)N2CCN(CC2)C=O)c2CCCc2[nH]n1	EMOLS-id_324765303,MCULE-5528050019,GD-id_ZINC49678969,PC-id_110388818	248.281	AZERYOHXMDZQCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026924
c1(C(=O)N2CCN(CC2)C=O)cn2c(CCC2)n1	EMOLS-id_321298131,MCULE-2270256987	248.281	VUJOBFDUKDHLCZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026925
CC(C)(C)OC(=O)Nc1nc2CCCn2c1C#N	EMOLS-id_331239946	248.281	QWVLKMHNZXAAJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026926
CC(Cn1c2C(CC(c2[nH]c1=O)C(=O)N)C#N)C	SCHEMBL13883025,PC-id_71018958	248.281	GEVUIEJEFIOPSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026927
CC/C=NC(=N/CO)Nc1cn2c(c1)C(=O)CC2	SCHEMBL18463718	248.281	GBNDVIYKDPGNRW-PQMHYQBVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026928
CCN1CN(C(=O)c2n[nH]c3c2CCC3)CC1=O	EMOLS-id_100412879,ZINC22_330065600,MCULE-6124599352	248.281	DCKKBPITTZEIJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026929
CC(=O)N1CC(C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_320031834,MCULE-6180926679	248.281	ALHPTVRTYBXIJG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026930
COc1noc(c1)C(NC1CCn2c1ncc2)C	EMOLS-id_279086596	248.281	VNWZYCSPWHRDFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026931
N#Cc1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380332,PC-id_118614067	248.281	ZUKGISSBOGVYHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026932
N#Cc1n(C)nc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_105507721	248.281	FMCVLTKCPGWNAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026933
N#Cc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C	PC-id_105507719	248.281	RAPMRKLAIDYRRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026934
NC(=O)C1CN(C1)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319597148	248.281	LKBWPAFGGIXGPX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-026935
O=C1c2nc[nH]c2C(=O)N1CCN1CCCCC1	CHEMBL446213,PC-id_44564742	248.281	OHBGDFBHIGODDA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026936
O=C1CC[C@@H](N1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98673372	248.281	VBTBVXOKQPSVDU-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026937
O=C1CCC(N1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_303265457	248.281	VBTBVXOKQPSVDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026938
O=C1CN(CCN1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102677939	248.281	WBGPDZJPKHPYOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026939
O=C1N(Cc2nnc3n2CCC3)C(=O)C(C1C)C	EMOLS-id_320113413,MCULE-8844937762	248.281	FVDOVYWHQDXAQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026940
O=C1NCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319762921	248.281	STRDICDAPIEWGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026941
O=C1NCCC1N(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98155066	248.281	YJNZFIJIQHVZQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026942
O=C1NCCN(C1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102530886	248.281	MTZKJQYEQJALHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026943
O=Cc1n[nH]c2c1CN(C2)C(=O)N1CCCCC1	PC-id_118484635,SCHEMBL17224459	248.281	PKGGYCRUELFHJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-026944
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)CC#N	PC-id_83949645	248.281	SRIMDUSKWFKSSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026945
O=C(N1CCCC1=O)CC1n2nnc(c2CC1)C	PC-id_72833409	248.281	DPBNPJOHFURZPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026946
O=C(N1CCCC1=O)C[C@H]1n2nnc(c2CC1)C	PC-id_11402390	248.281	DPBNPJOHFURZPL-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-026947
OC(c1sc(C)c2OCOc12)c1ccccc1	PC-id_121226412,MCULE-6060501487	248.298	KBBSUKYFOKJXNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-026948
S1(=O)(=O)C(c2c(C1)coc2)Cc1ccccc1	PC-id_85626774	248.298	MNKVMDXBNUHFPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-026949
O=C1c2cc(oc2[SH]C1(C)C)S(=O)(=O)N	SCHEMBL10571190	248.299	JLHYENQVABSENF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026950
N#Cc1c(NC(=O)CC(=O)C)sc2c1CCC2	PC-id_18071518,EMOLS-id_37382044	248.301	NOBVKLNXZASDRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-026951
N#CC=C1CSc2n1ccc2C(=O)OC(C)C	PC-id_139819399	248.301	DOVQVYCDAIPEJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026952
O=C(c1occ2c1CCC2)Nc1csnc1C	EMOLS-id_319612242	248.301	LEQXAVCRHOCILH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026953
O=C(c1sc2c(c1)CCC2)Nc1conc1C	EMOLS-id_320164009,MCULE-3480217904	248.301	BMICVFLYKXUTJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026954
s1c2CCCc2nc1NC(=O)c1oc(cc1)C	PC-id_33039044	248.301	BTPZIWYAYIUOOG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026955
s1c2CCCc2nc1NC(=O)c1occc1C	PC-id_33040524	248.301	GSCDVWQTYQLKES-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-026956
s1c(Cc2[nH]c3CCC(c3n2)C(=O)O)ccc1	PC-id_84010922	248.301	OSHSCHAGXMGYGF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026957
c1(C(=O)Nc2scc(C)n2)c2CCCc2[nH]n1	PC-id_110678735,EMOLS-id_180404713,MCULE-5628610898	248.304	JJRJEHFMQKJQMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026958
c1(C(=O)Nc2sccn2)c2CCCc2n(C)n1	PC-id_110678749,MCULE-4648066356,EMOLS-id_180404755	248.304	JOZMWQCIUOVIEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026959
c1(C(=O)Nc2sc(cn2)C)c2CCCc2[nH]n1	MCULE-9855544406,EMOLS-id_323253439	248.304	PDUSCRCBNQGNMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026960
c1(NC(=O)c2cc[nH]c2)n(C)nc2CSCc12	ZINC22_1529126393,PC-id_134701604,MCULE-9294783953,EMOLS-id_316165827	248.304	IQLOHFUCOOWODF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-026961
Cc1ncc(NC(=O)c2cnn3c2CCC3)s1	MCULE-9498862680,EMOLS-id_101223142,ZINC22_333530776	248.304	IXKCTYJFAQEYCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026962
Cc1ncc(s1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101223154	248.304	NNLLGMPSJNDPBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026963
Cc1nnc([nH]1)NC(=O)c1sc2c(c1)CCC2	PC-id_78927937,EMOLS-id_315082113	248.304	VFWCXPZALRLNKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026964
Cn1cnnc1NC(=O)c1cc2c(s1)CCC2	PC-id_86794120,EMOLS-id_49944588,ZINC22_97379330,MCULE-5013298705	248.304	MPMHXKJZHVROHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026965
Cn1nc2c(c1NC(=O)c1ccns1)CCC2	EMOLS-id_319286538	248.304	CAHXRBXUEQKPLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026966
Cn1nccc1C(=O)Nc1nc2c(s1)CCC2	CoCoCo_5259531,MCULE-1219717430,ZINC22_11695059,EMOLS-id_16927818,PC-id_42110477	248.304	YWZZYMMYZARYHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026967
Cn1nnc(n1)CC(=O)c1sc2c(c1)CCC2	PC-id_107063614	248.304	KSPMGKIHVAJTJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026968
n1c(CNC(=O)c2cnsc2)c2c(CCC2)[nH]1	MCULE-4460880645,EMOLS-id_323957836,PC-id_145933487,ZINC22_1857685155	248.304	DDULPTXGTUTNRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026969
Nc1c[nH]c(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38356755,PC-id_54962823	248.304	NNZHTHDCOHQPRW-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-026970
N#Cc1c(NC(=O)CC2CC2)nc2n1CCS2	EMOLS-id_99355588	248.304	REGREGXAGMAUIB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-026971
O=C(c1ccns1)NC1CC(n2c1ncc2)C	MCULE-8395872451,EMOLS-id_319994457	248.304	LZPNOQOMKAEMKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026972
O=C(c1ccns1)NCc1cnc2n1CCC2	EMOLS-id_318977415	248.304	BHYVPNIGPCMZSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026973
O=C(c1cn2c(n1)CCC2)Nc1csnc1C	EMOLS-id_319466968	248.304	VGTANOCLUNORJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026974
O=C(c1cnc2n1CCC2)Nc1csnc1C	EMOLS-id_319165632	248.304	KFXXUDKLMWTGBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026975
O=C(c1cnc2n1CCC2)NCc1csnc1	EMOLS-id_318957992	248.304	VTUPBSPTUZCMSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026976
O=C(c1cncs1)NCc1cnc2n1CCC2	EMOLS-id_318935965	248.304	KPBVFJWDUAMALU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026977
O=C(c1cncs1)NCc1n[nH]c2c1CCC2	MCULE-3031107500,EMOLS-id_320097866	248.304	BPZKHCXAOICSQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026978
O=C(c1cnn2c1CCC2)Nc1csnc1C	EMOLS-id_319168363	248.304	NWNHJNPHZKIMMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026979
O=C(c1cnn2c1CCC2)Nc1scnc1C	EMOLS-id_101217223	248.304	YUYASNPPZQFJDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026980
O=C(c1cnn2c1CCC2)NCc1csnc1	EMOLS-id_318906336	248.304	FXSXCVXTEBEPDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026981
O=C(c1cn[nH]c1C)Nc1sc2c(n1)CCC2	PC-id_63999025,EMOLS-id_40193075	248.304	HISIKMKVZBGGAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026982
O=C(c1cscn1)NCc1cnc2n1CCC2	MCULE-2564285273,EMOLS-id_320071398	248.304	WWGPIFFWJFFTJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026983
O=C(C1NCc2c1c[nH]n2)NCc1cccs1	EMOLS-id_319703387	248.304	LWGFXSGAPRLYCW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026984
O=C(c1nccn1C)Nc1sc2c(n1)CCC2	EMOLS-id_319678390	248.304	BQQYDNKJHDQCLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026985
O=C(c1nccs1)NCc1cnc2n1CCC2	EMOLS-id_319808900	248.304	WDZZOMRREPAZQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026986
O=C(c1nccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_320140726,MCULE-1122373258	248.304	JAWDVKMZKBRSPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026987
O=C(c1n(C)nc2c1CCC2)Nc1nscc1	EMOLS-id_319394412	248.304	UJDNIOUJVBTEFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026988
O=C(c1nc[nH]c1C)Nc1sc2c(n1)CCC2	MCULE-3984635145,EMOLS-id_320175005	248.304	QIKBHTQCEQJVMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026989
O=C(c1[nH]cnn1)NCc1sc2c(c1)CCC2	PC-id_80368949,EMOLS-id_315427507	248.304	PNGSGLVAJIHWAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026990
O=C(c1nn2c(c1)CCC2)Nc1csnc1C	EMOLS-id_319198564	248.304	JQTZVRFMVVKWQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026991
O=C(c1nn2c(c1)CCC2)NCc1csnc1	EMOLS-id_319967436,MCULE-9786352295	248.304	VEJOROIRRIEYMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026992
O=C(c1nn[nH]c1)NCc1sc2c(c1)CCC2	PC-id_78978812,EMOLS-id_315441958	248.304	MEOUQDRVLSJBIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026993
O=C(c1sc2c(c1)CCC2)Nc1[nH]ncc1N	EMOLS-id_260720293,PC-id_80360092	248.304	CJEMBXVFFAPFHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026994
O=C(c1sc2c(c1)CCC2)Nc1[nH]nnc1C	EMOLS-id_278187386	248.304	HMNAKRMHDSHZIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026995
O=C(c1sc2c(c1)CCC2)NCc1[nH]cnn1	PC-id_54885084,EMOLS-id_37989296	248.304	XOCYRMDDMKDBAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026996
O=C(Cn1ccnc1)Nc1sc2c(n1)CCC2	MCULE-9037980763,EMOLS-id_257900503,PC-id_40159555,CoCoCo_4868578	248.304	HAZZTLYQEONIQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-026997
O=C(N1Cc2c(C1)c(n[nH]2)N)Cc1cccs1	PC-id_69187652,SCHEMBL4782291	248.304	NJCOWSXXJHVYOD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026998
O=C(N1CCn2c1ncc2)Nc1cscc1C	EMOLS-id_320031195,MCULE-4640663215	248.304	UHLYJRJLJNBMGG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-026999
s1c2CCCc2nc1NC(=O)c1cn(nc1)C	PC-id_33040426	248.304	OENLOYQOBJZLHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027000
s1c2CCCc2nc1NC(=O)c1nn(cc1)C	PC-id_45284714	248.304	IKPFORYLMGRZCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027001
s1c(C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52024813	248.304	YJLIZHVQFBYSLZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-027002
Nc1cc(Nc2sc3c(n2)CCC3)nc(n1)N	PC-id_108204481	248.307	NHQDARBJOHSLCZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-027003
Fc1cccc(c1)C(c1sc2c(c1)CCC2)O	PC-id_114978447	248.316	GVXPBYCCTAXSJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027004
Fc1ccccc1C(c1sc2c(c1)CCC2)O	PC-id_115781685	248.316	QDHCKWQNHVERCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027005
s1c2c(CCC2)cc1C(O)c1ccc(F)cc1	PC-id_61100548	248.316	GCPXCJLIICCHHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027006
c1(C(N)c2ccccc2F)sc2c(CCC2)n1	PC-id_61330104,MCULE-2275030815	248.319	LNSPRQBWYURPQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027007
c1(C(N)c2ccc(cc2)F)sc2c(CCC2)n1	PC-id_61330699,MCULE-9291571529	248.319	HBJHLJZVRSQWFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027008
COCCC1C(O)c2c(S1(=O)=O)scc2	SCHEMBL9651674,PC-id_21735814	248.319	FWLDCWAJUBNQKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027009
Fc1cccnc1NCc1sc2c(c1)CCC2	EMOLS-id_39323252,PC-id_62733985	248.319	GZYJXYCVFVTXTM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-027010
Fc1ccc(nc1)NCc1sc2c(c1)CCC2	PC-id_61313544,EMOLS-id_38210882	248.319	BYLFCCMTQBWWHD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-027011
Fc1cnccc1C(c1sc2c(c1)CCC2)N	PC-id_105038142	248.319	USFAMZKYEMVXDZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-027012
Fc1cncc(c1)C(c1sc2c(c1)CCC2)N	PC-id_115804280	248.319	JUMCZNKCVUHVAM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-027013
Fc1nccc(c1)NCc1sc2c(c1)CCC2	PC-id_106194051	248.319	RVLGIRVCZRKGIA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-027014
s1c2CCCc2nc1[C@H](N)c1ccc(F)cc1	PC-id_83305817	248.319	HBJHLJZVRSQWFL-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027015
s1c2CCCc2nc1C(N)c1cc(F)ccc1	PC-id_61331090	248.319	CJWSUHLTKSBUEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027016
C1CCC(CC1)Cn1c(c2CC(=N)Cc2c1O)O	PC-id_90952208	248.321	AQWSGSVMAABXMJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027017
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1CCC1	EMOLS-id_330969523,MCULE-3207819077	248.321	CVGWOOVKCQUTLG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027018
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1(C)CC1	EMOLS-id_330973105,MCULE-2726333467	248.321	VAEJZGWCAYHGKZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027019
c1(C(=O)OC)c2CCCc2nn1CC1CCCC1	MCULE-3849117194,EMOLS-id_324390747	248.321	NMJKLTACMIGKOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027020
c1(C(=O)OC)c2C(C)CCc2n(CC2CCC2)n1	EMOLS-id_330992895,MCULE-1469296868	248.321	OLXNZDWJTDLZNW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027021
c1(C(=O)OC)c2C(C)CCc2nn1CC1CCC1	EMOLS-id_330980016,MCULE-9238014977	248.321	GSVKGRFLKVGANF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027022
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1CC1	MCULE-2451064428,EMOLS-id_330976696	248.321	FXUGWONWNLCIGN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027023
c1(C(=O)OCC)c2C(C)CCc2n(CC2CC2)n1	MCULE-2865445257,EMOLS-id_331001845	248.321	GJCYVIFDTFNJHK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027024
c1(C(=O)OCC)c2C(C)CCc2nn1CC1CC1	MCULE-5802327409,EMOLS-id_330983862	248.321	RBUIVNCMTVOZBK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027025
CC(C1CCOC1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987189,MCULE-4006605108	248.321	HWPYDBBWSIWCFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027026
CCCCn1cc2c(c1)C(=O)N(C2=O)CCCC	PC-id_140409319	248.321	OVRNQSZHKMIELY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027027
CN1CCCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_102364292	248.321	CYCYCYLTYQUBGM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027028
o1c2c(CCC2)c(c1CC)C(=O)N1CCNCC1	PC-id_83610214	248.321	VSIHTOJNWUVGTD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027029
O=C1c2cn(cc2C(=O)N1C(C)(C)C)C(C)(C)C	SCHEMBL12565968,PC-id_58310195	248.321	MSUWRJMSTSCJOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027030
O=C1c2[nH]c(c(C(C)(C)C)c2NC1=O)C(C)(C)C	PC-id_77624500	248.321	DRYJLIXMYXSGCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027031
O=C1N(CCCCCCCC)C(=O)c2c1c[nH]c2	PC-id_85749485	248.321	INHWSRURAGOROV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027032
O=C(c1occ2c1CCC2)N1CCNC(C1)(C)C	EMOLS-id_102712344	248.321	GWALBUWTVVJXLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027033
O(C(=O)c1c2n(nc1C)CC(C2=CC)(C)C)CC	PC-id_51039584	248.321	XRVBLWSFKNTXGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027034
Oc1n(CCS(=O)(=O)C)nc2c1CSC2	EMOLS-id_313660097	248.322	UUYGFOBPDMYTOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027035
OCCS(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_42376489,PC-id_79589562	248.322	MVVXPJMPTHLALP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027036
S(=O)(=O)(CCn1[nH]c2c(c1=O)CSC2)C	PC-id_83196998	248.322	RWVDHXJKMQIWTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027037
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)CC	EMOLS-id_321297875,MCULE-1471388027	248.324	ZQYYEUSSFLHRBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027038
c1(C(=O)N2CCN(CC2)C)c2CCCc2n(C)n1	PC-id_110388992,EMOLS-id_179745043,MCULE-9011351930	248.324	WZDNJHQTQOIMNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027039
c1(C(=O)N2CCN(CC2)CC)c2CCCc2[nH]n1	MCULE-2235890637,EMOLS-id_179744528,PC-id_110388817	248.324	XVZPHRFVFUEGIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027040
c1(C(=O)NC2CCN(C)CC2)c2CCCc2[nH]n1	MCULE-2424434990,EMOLS-id_334998300	248.324	IXOHQNMLHRFCIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027041
CC1(c2c(CN1C)c(n[nH]2)NC(=O)C1CCC1)C	SCHEMBL20060556,PC-id_134426925	248.324	RELPRYVOPQYBEM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027042
CC1CC(C1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101369500	248.324	JWOKHXYERDBZDN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027043
CC1CCCCN1NC(=O)c1cnc2n1CCC2	EMOLS-id_316573839	248.324	XELJOHIQSRFPRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027044
CC1CN(C1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572887	248.324	QQSGHZTUCKLKGD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027045
CC1NC(C)CN(C1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102948858	248.324	HRSHJORYULYGOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027046
CC1NC(C)CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102388441	248.324	MMQJXNUQBUWAAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027047
CC1NCCN(C1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102547428	248.324	VDBIYUYCXSENRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027048
CC1NCC(N(C1)C(=O)c1cnn2c1CCC2)C	EMOLS-id_102950169	248.324	BNIXIEXJYSVKOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027049
CC1NCC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_102295704	248.324	LSHHCXPPHXCEEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027050
CCC1(CC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572866	248.324	UKZSJXAZDYWGAV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027051
CCC1CCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422962	248.324	GRNQWLSLCTUSME-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027052
CCc1n[nH]c2c1CN(C2)C(=O)N1CCCCC1	PC-id_118493386,SCHEMBL17234825	248.324	QCKMDXOWLBKMFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027053
CC(CC(=C)C(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_319080063	248.324	NHLVHILVEYYMGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027054
C=CCC(C(=O)N1Cc2c(C1)cnn2C)N(C)C	EMOLS-id_319991496,MCULE-9242284358	248.324	PADGUGJRYUPGNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027055
CC[C@@H]1C[C@H]1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101383252	248.324	OHKGYSYPCUMNLG-WYNUPADASA-N	00100010100000000001000010000000000000000000000000000000	25-01-027056
CC(C)n1nc(CN2CCCC2=O)c2c1CNC2	EMOLS-id_44369908,PC-id_97519267,ZINC22_96259181	248.324	IQLGRZYHRPTILP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027057
CCCN(C(=O)C1NCc2c1c[nH]n2)CC1CC1	EMOLS-id_318909629	248.324	JYYAALPQUVHGEK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027058
C[C@@H]1NCCC[C@@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_102115495	248.324	BIAYSWFZRJYDRD-ONGXEEELSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027059
C[C@@H]1NCCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_102111260	248.324	LYETWZJQOVTGPX-WPRPVWTQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027060
CCN1Cc2c(CN3CCCC3=O)nn(C)c2C1	PC-id_97405294,EMOLS-id_46181943,ZINC22_96084468	248.324	LSUIGSIUDZZJCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027061
CCN1CCC(C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_101675945	248.324	HUYZXBRFUXORIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027062
CCN1CCC(C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101675936	248.324	LBDDCJABBLWYFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027063
CCN1CC(CC1=O)NC1CC(n2c1ncc2)C	EMOLS-id_101205252	248.324	YDMPJHGVASSALE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027064
CCN1C[C@H](N[C@H]2C[C@H](C)n3ccnc23)CC1=O	ZINC22_333619172	248.324	YDMPJHGVASSALE-AXFHLTTASA-N	00000010100000000001000010000000000000000000000000000000	25-01-027065
CCN1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc23)CC1=O	ZINC22_333619173	248.324	YDMPJHGVASSALE-GMTAPVOTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027066
CCN1C[C@H](N[C@@H]2C[C@H](C)n3ccnc23)CC1=O	ZINC22_333619174	248.324	YDMPJHGVASSALE-HBNTYKKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-027067
CCN1C[C@H](N[C@H]2C[C@@H](C)n3ccnc23)CC1=O	ZINC22_333619175	248.324	YDMPJHGVASSALE-MXWKQRLJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027068
CCN(C(=O)NC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_101581086	248.324	JFUIOKVDBAXAQF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027069
CN1CCCC1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319493398	248.324	FELROXCXMDRONW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027070
CN1CCC(CC1)(C)C(=O)N1CCn2c1ccn2	EMOLS-id_319211279	248.324	CRZZJKVXSWHEJI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027071
CN1CCCC(C1)C(=O)NC1CCn2c1ncc2	EMOLS-id_320075782,MCULE-4390897246	248.324	KNSGOCOWWGGKFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027072
CN1CCC[C@@H]1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_278282449	248.324	GMUJYLPTSBWZJW-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027073
CN1CCC[C@@H]1C(=O)NCc1n[nH]c2c1CCC2	MCULE-2682714270,EMOLS-id_320023813	248.324	XUTRRXBCVVPISV-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027074
CN1CC[C@H](C[C@H]1C)C(=O)N1CCn2c1ccn2	MCULE-7743338443,EMOLS-id_320063876	248.324	YAZDFLZYIIARBZ-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027075
CN1CC[C@H](C[C@H]1C)C(=O)N1CCn2c1ncc2	EMOLS-id_319584953	248.324	PQLLLIDWRPOOED-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027076
CN1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102352831	248.324	WZCCIXVAOAGTSC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027077
CN(C1(CC1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319817836	248.324	CVEMJSSXSBUWIJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027078
CNC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_302897869,PC-id_119487796,MCULE-7826926854	248.324	RWSILLPECLFGRC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027079
CN(CC1(CC1)C(=O)NC1CCn2c1ncc2)C	EMOLS-id_316628188	248.324	HZRFZVRCURKBPX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027080
CNCC1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_301841682,MCULE-9684650737,PC-id_119648767	248.324	JIOZQFJHHVJQJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027081
CN(C)C(=O)c1n[nH]c2CN(CC3CCC3)Cc12	CHEMBL3553939,PC-id_97389037	248.324	BDEUAOPORKRFMQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027082
CN(C(=O)c1n[nH]c2c1CCC2)C1CCNCC1	EMOLS-id_301585023,PC-id_119441337,MCULE-1998278713	248.324	QWAZEKUVBFOETF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027083
NC1CC(C1(C)C)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319181878	248.324	FSPGNPMQBIGXNU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027084
NC1CC(C1(C)C)NC(=O)c1cnn2c1CCC2	EMOLS-id_319425064	248.324	PCEYIBBHDKIEJH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027085
NC1CC(C1(C)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316723916	248.324	JAHLVWOLDAZNRE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027086
NC1CCC(C1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_119822834	248.324	DXEZPVUKIROQER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027087
NC1CCN(CC1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102941581	248.324	XLDKZCVJKXDRLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027088
NC1CN(CC1(C)C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319470254	248.324	KTSFSBPVHGJOOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027089
NC1CN(CC1(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_319744910	248.324	PAVAUVNQRPJXNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027090
NCC1CCCC1NC(=O)c1n[nH]c2c1CCC2	MCULE-7044343905,PC-id_119600775,EMOLS-id_301746283	248.324	FYGUGMMUXCDTLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027091
NCC1(C)CCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-9520296245,EMOLS-id_302531602,PC-id_120807481	248.324	KDKRRTZUNUJXBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027092
NCC1CC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	MCULE-5627938069,EMOLS-id_302760612,PC-id_120016773	248.324	QOLXFTGGVVEQNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027093
NCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_119422939	248.324	WUVMSCJGYHBUPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027094
NCC1(NC(=O)c2n[nH]c3c2CCC3)CCCC1	MCULE-9565765137,ZINC22_97019652,PC-id_75513734,EMOLS-id_301021535,CHEMBL4584544	248.324	SEYBFVRVYSDTST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027095
NCC(C1CC1)(NC(=O)c1n[nH]c2c1CCC2)C	MCULE-8908822364,EMOLS-id_301676247,PC-id_119572440	248.324	LDCBOYWUCSYRJE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027096
NC[C@@H]1CCCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_319076467	248.324	LXTRCHCBUWYMDC-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-027097
NC[C@@H]1CCCCN1C(=O)c1nc2n(c1)CCC2	EMOLS-id_319839942,MCULE-1574698980	248.324	ZHTUZCSXPLRKLD-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-027098
NC[C@@H]1CCCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-5281760434,EMOLS-id_319935506	248.324	HGYQUCYLDARUPL-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-027099
N[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_102141224	248.324	NZUWILYOKRQNKZ-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027100
O1C(CNC(c2n3CCCc3nn2)C)CCC=C1	PC-id_62064405	248.324	LROCYTPMNMVBAN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-027101
O=C1CCC(CN1C)NC1CC(n2c1ncc2)C	EMOLS-id_98849503	248.324	XUWAUGWNUDSKAB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027102
O=C1NCC(C1NCc1cnn2c1CCC2)(C)C	EMOLS-id_316524711	248.324	PSTQSHLAXRQYEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027103
O=C1NCC(C1NCc1nn2c(c1)CCC2)(C)C	EMOLS-id_316710185	248.324	LQDOIDCNGZHLOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027104
O=C1N(CCC2CCNCC2)Cc2n1c(C)nc2	PC-id_23138322,SCHEMBL3449621	248.324	FMQNLVMKYDOMJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027105
O=C(C1CCCC1)N[C@H](c1nnc2n1CCC2)C	PC-id_95133467	248.324	ZIPSMUJAFJPMGI-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-027106
O=C(C1CCCC1)N[C@@H](c1nnc2n1CCC2)C	PC-id_95133468	248.324	ZIPSMUJAFJPMGI-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027107
O=C(C1CCCNC1)Nc1n(C)nc2c1CCC2	MCULE-5694120782,EMOLS-id_301473794,PC-id_119345965	248.324	WSCFDTAPTGPSBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027108
O=C(C1CCNCC1)Nc1n(C)nc2c1CCC2	MCULE-6808272620,PC-id_119345957,EMOLS-id_301477121	248.324	NDCVAMPLCGKYLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027109
O=C(c1cn2c(n1)CCC2)N1CCNC(C1)(C)C	EMOLS-id_102945974	248.324	GLWQJNBTBJEGPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027110
O=C(c1cnn2c1CCC2)NC1CCNC1(C)C	EMOLS-id_101226174	248.324	RTEMTNZZAQROOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027111
O=C(C1NCc2c1c[nH]n2)N1CCCC(C1)(C)C	EMOLS-id_320043963,MCULE-8325314567	248.324	ZQYXVURQZNGULQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027112
O=C(C1NCc2c1c[nH]n2)NC1C(C1(C)C)(C)C	MCULE-8264537407,EMOLS-id_320015632	248.324	ZWMLOPDOPYTMSI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027113
O=C(C1NCc2c1c[nH]n2)N(C1CCCCC1)C	EMOLS-id_318769016	248.324	BFCMDZMNFZGJKD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027114
O=C(C1NCc2c1c[nH]n2)NC1CCCCCC1	EMOLS-id_319397152	248.324	XMFAGFRKXOKUBG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027115
O=C(C1NCc2c1c[nH]n2)NCC1CCCCC1	EMOLS-id_318846599	248.324	IFYXGEAHJVJCCA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027116
O=C(C1NCc2c1c[nH]n2)NCC1(C)CCCC1	EMOLS-id_318976851	248.324	YPSYVYBKADUPJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027117
O=C(c1n[nH]c2c1CCC2)N1CCNC(C1)(C)C	EMOLS-id_102667160	248.324	WPURONPRXVWHRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027118
O=C(c1n[nH]c2c1CCC2)NCC1CCCNC1	EMOLS-id_301542601,PC-id_119460062,MCULE-6461891827	248.324	HUEBSTQMQQVGRZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027119
O=C(CC1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_31364239,ZINC22_58147138,MCULE-1728429721,PC-id_47017172	248.324	ROZCPLHEAGQCMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027120
O=C(C(C1CNC1)C)Nc1n(C)nc2c1CCC2	PC-id_121749936	248.324	MFURDHMLFKOIHA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027121
O=C(CN1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319867997	248.324	BDCNHUKLPNXXAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027122
O=C(N1Cc2c(C1)c(n[nH]2)C(C)C)N1CCCC1	PC-id_118489383,SCHEMBL17229866	248.324	FTGNOEYKFHYCAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027123
O=C(NC1CC(n2c1ncc2)C)NC1CCCC1	EMOLS-id_101390761	248.324	WFPJDWMMMKHCDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027124
O=C(NC1CC(n2c1ncc2)C)NCC1(C)CC1	EMOLS-id_101382532	248.324	HPDHGTYNSPDFCS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027125
O=C(NC1CC(n2c1ncc2)C)NCC1CCC1	EMOLS-id_101392207	248.324	HXPSVQDSACFDOP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027126
O=C(NC1CC(n2c1ncc2)C)N[C@H]1CC1(C)C	EMOLS-id_101702324	248.324	LYYACIWNMQDGCQ-RTBKNWGFSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027127
O=C(Nc1n(C)nc2c1CCC2)CC1CCCN1	PC-id_119822860,MCULE-5601728559,EMOLS-id_302174088	248.324	DOAINCYGRMXGQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027128
O=C(Nc1n(C)nc2c1CCC2)CN1CCCC1	EMOLS-id_319315327	248.324	UGVCDCFQXIVFLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027129
O=C(Nc1n(C)nc2c1CCC2)CNCC1CC1	MCULE-8273986152,PC-id_119822846,EMOLS-id_302172552	248.324	MKSMAPBJNNJBIM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027130
O=C(NC(c1n2CCCc2nn1)C)C1CCCC1	PC-id_53504543	248.324	ZIPSMUJAFJPMGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027131
O=C(NCc1nnc2n1CCC2)C1CCCCC1	ZINC22_40481203,PC-id_47017170,EMOLS-id_45741843,MCULE-7885894297,CoCoCo_4491041	248.324	KSMNFLBHMIFELC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027132
C[C@@H](C#N)CN(C)C(=O)c1cc2c(s1)CCC2	ZINC22_42460074	248.344	AVAFJJRDRZOEJO-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-027155
O=C(NCCc1nnc2n1CCC2)C1CCCC1	ZINC22_42502653,PC-id_53505786,MCULE-7661453803,EMOLS-id_35706180	248.324	LFSBPINCJFKRMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027133
S(=O)(=O)(N1Cc2sc(nc2C1)N)N(C)C	PC-id_82194225	248.326	YEWCONYWMGYRDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027134
S(=O)(=O)(Nc1sc2c(n1)CNC2)N(C)C	PC-id_82194114	248.326	IWPJVTJHHSRRQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027135
C=CCNC(=NCc1nnc2n1CCC2)NCC	PC-id_110982861	248.327	WDBJDXXCKIVBJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027136
CCNC(=NCc1nnc2n1CCC2)NC1CC1	PC-id_110989333	248.327	ZCPNRAQXIPCEIJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027137
CN=C(N1CCCC1)NCc1nnc2n1CCC2	PC-id_110933797	248.327	QNNOZZDLINRQSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027138
CN=C(NC1CC1C)NCc1nnc2n1CCC2	PC-id_111020491	248.327	YNEUEKDGEMQYQA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027139
CN=C(NCc1nnc2n1CCC2)NCC1CC1	PC-id_111020585	248.327	MHZKUXUYSBNJBB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027140
NC(=NCc1nnc2n1CCC2)N1CCCCC1	PC-id_111039289	248.327	RLLBKTKKTQVSSI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027141
NC(=NCc1nnc2n1CCC2)NC1CCCC1	PC-id_119117967	248.327	UELYLOJVSWYMAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027142
NC(=NCc1nnc2n1CCC2)NCC1CCC1	PC-id_111039265	248.327	WDZIHUACVGXLHT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027143
c1(cc2c(CCC2)s1)C(=O)NC(CCC)C#N	EMOLS-id_314414060,MCULE-3907558983,PC-id_61119494	248.344	MTXQHXXHJBPVAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027144
C1(NC(=O)c2cc3c(CCC3)s2)C2C1CNC2	PC-id_43594428,MCULE-1783380292	248.344	RQLJAZDPYOHBAU-UHFFFAOYSA-N	00100010100000000000010010000000000000000000000000000000	25-01-027145
c1(NC(=O)CC(C)C)sc2c(CCC2)c1C#N	MCULE-8095229775,EMOLS-id_3968998,PC-id_4511739,TIMTEC257927,ZINC22_5842727,CoCoCo_6782239	248.344	KDJQIKVGSCAHCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027146
CCCCC(=O)Nc1c(C#N)c2c(CCC2)s1	MCULE-7800233143,ZINC22_5257619,PC-id_4418017,EMOLS-id_43416479,CoCoCo_3268189	248.344	NDJSTDXTNKLNCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027147
CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_3900174,MCULE-9071618234,CoCoCo_4966732,EMOLS-id_3062385,PC-id_4016005	248.344	PMJXTPSXVZGBSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027148
CCC(C)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327880784,MCULE-7137561823	248.344	VCVQLARXMFNDJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027149
C#CCC(C(=O)NCc1sc2c(c1)CCC2)N	PC-id_81776064,EMOLS-id_315039303	248.344	YNRNRWNLJSJDEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027150
C#CCNCC(=O)NCc1sc2c(c1)CCC2	PC-id_79286873,EMOLS-id_42151626	248.344	VKTIGLNYRHYLIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027151
CCCN(C(=O)c1sc2c(c1)CCC2)CC#N	EMOLS-id_314154581,PC-id_61225662	248.344	RPJWWLFYWWSNID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027152
CCC(NC(=O)c1sc2c(c1)CCC2)(C#N)C	PC-id_61120376,EMOLS-id_314429920	248.344	BQXZQDKXVPGWDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027153
C[C@H](C#N)CN(C)C(=O)c1cc2c(s1)CCC2	ZINC22_42460072	248.344	AVAFJJRDRZOEJO-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027154
IC1=c2c(=N[N]1)ccs2	EMOLS-id_316152958	249.052	VYKIIXXCYUDNDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027273
CCn1ncc(c1)C(c1sc2c(c1)CCC2)O	PC-id_113658661	248.344	IMBMMKWFUJIEPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027156
CCn1nccc1C(c1sc2c(c1)CCC2)O	PC-id_115798768	248.344	UTINPKWWDCENDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027157
Cn1ccc(n1)CC(c1sc2c(c1)CCC2)O	PC-id_115828656	248.344	QONDWXLUYLDCPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027158
Cn1ncc(c1)CC(c1sc2c(c1)CCC2)O	PC-id_115780291	248.344	ZSAMIWUOLFHHED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027159
n1c2CCCc2sc1C(C)NCc1ccco1	PC-id_46784930,MCULE-3133353713	248.344	SVGVFMBGNIWTQP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-027160
N#CCCCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_315238318,PC-id_63284222	248.344	BGLBFOAJJUHGOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027161
N#CC(C(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_63941011,EMOLS-id_315153294	248.344	OFASTAZMRZXVHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027162
N#CC(CNC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_314518857,PC-id_113372686	248.344	ARLIHCZNUMYIQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027163
N#CCC(NC(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_315267588,PC-id_55101354	248.344	BGZMOYVDJMIIQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027164
N#CC(CN(C(=O)c1sc2c(c1)CCC2)C)C	EMOLS-id_48746327,PC-id_54990612	248.344	AVAFJJRDRZOEJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027165
N#CCCN(C(=O)c1sc2c(c1)CCC2)CC	PC-id_54992423,EMOLS-id_314168102	248.344	XWGRBIQOSFNTKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027166
N#CCC(N(C(=O)c1sc2c(c1)CCC2)C)C	PC-id_63224951,EMOLS-id_314242709	248.344	PEEWLSFBHXIGBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027167
N#CCN(C(=O)c1sc2c(c1)CCC2)C(C)C	PC-id_64471708,EMOLS-id_315235541	248.344	UZFVYQLNNPOXDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027168
NNC(c1sc2c(c1)CCC2)Cc1ccco1	PC-id_105331522	248.344	HPNNRABIWVOXQC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-027169
NNC(c1sc2c(c1)CCC2)Cc1ccoc1	PC-id_105331765	248.344	NOJNNLNKIOOAMR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-027170
OC(c1sc2c(c1)CCC2)Cc1nccn1C	PC-id_113663780	248.344	XQNOLZWJZIMEPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027171
s1c2c(CCC2)cc1C(O)c1n(CC)ccn1	PC-id_61316292	248.344	NBVYXMZAXRVZND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027172
s1c2CCCc2nc1NC(=O)C1CCC=CC1	PC-id_46564992	248.344	FTLXOECDBFGJIT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-027173
s1c2CCCc2nc1NC(=O)CC1CCC=C1	PC-id_46565002	248.344	KOGZTWBZOQYWNK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027174
s1c(NC(=O)C2CC3C(C3)C2)nc2c1CCC2	PC-id_80473867	248.344	SNTAXNNLAMDMCF-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-027175
c1(CN(C)Cc2sccn2)c2CCCc2[nH]n1	EMOLS-id_49673300,MCULE-3166343008,PC-id_74246971,ZINC22_97743054	248.347	XCUZBOAPQNFBSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027176
CCn1ncc(c1)C(c1sc2c(n1)CCC2)N	PC-id_113831821	248.347	ZOEDNOBMKIZMJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027177
CCn1nncc1C(c1sc2c(c1)CCC2)N	PC-id_114213572	248.347	KPSBEZIIIKMDFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027178
Cn1cnnc1CNCc1sc2c(c1)CCC2	EMOLS-id_315035768,PC-id_81666081	248.347	MOXZAJYWFFHXCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027179
Cn1ncnc1CNCc1sc2c(c1)CCC2	PC-id_65600879,EMOLS-id_41363865	248.347	UNOBOPBLTQORRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027180
Cn1nnc(c1)CC(c1sc2c(c1)CCC2)N	PC-id_113912176	248.347	DTGWCYTVKNDBCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027181
Cn1nnc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_39352511,PC-id_62756697	248.347	AQFKZIDMQVSOSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027182
Cn1nncc1CNCc1sc2c(c1)CCC2	PC-id_115682602,EMOLS-id_314525818	248.347	ZIDIODVULKSBQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027183
CNC(c1cnnn1C)c1sc2c(c1)CCC2	PC-id_105043351	248.347	DUOUEYZKFZOSEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027184
NC(c1sc2c(c1)CCC2)Cc1ncnn1C	PC-id_113669692	248.347	LWVMFSYURVGJRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027185
NNC(c1ccnn1C)c1sc2c(c1)CCC2	PC-id_105307412	248.347	LTEQEUKQBTYLRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027186
NNC(c1nccn1C)c1sc2c(c1)CCC2	PC-id_105308231	248.347	IAEBVQRGBJWFMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027187
NNC(c1sc2c(c1)CCC2)c1ccn(n1)C	PC-id_103140816	248.347	IVLGNXBEBMQZON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027188
NNC(c1sc2c(c1)CCC2)c1cnn(c1)C	PC-id_105288697	248.347	QVEOHVIMGWHUSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027189
s1c2CCCc2nc1C(N)c1c(n(nc1)C)C	PC-id_79584850	248.347	OHQTYTHOGVDUJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027190
s1c2CCCc2nc1C(N)c1c(nn(c1)C)C	PC-id_83091081	248.347	AWKUBMJCNOUXJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027191
s1c2CCCc2nc1C(N)c1n(CC)cnc1	PC-id_66134526	248.347	BQQOYNANQKGMJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027192
s1c2CCCc2nc1C(NC)c1cn(nc1)C	PC-id_61332350	248.347	KGVLYLSZAAFNPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027193
s1c2CCCc2nc1C(NC)c1n(cnc1)C	PC-id_66117967	248.347	IWDVXWVGXLBVOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027194
s1cc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_43433199	248.347	RYARXKSZNYAPKV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-027195
s1c(CNC(c2n3CCCc3nn2)C)ccc1	PC-id_43433206	248.347	CJABIYRVCVKGJG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-027196
o1c2c(C(C(CCCC)C2=O)CCCC)cc1C	PC-id_14141948	248.361	ODTIOLFASWMILQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027197
c1(C(=O)Cc2ccsc2)cc2c(CCC2)s1	MCULE-1222482197,PC-id_61054658,EMOLS-id_38050436	248.364	CIEPCDHVVANRMS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027198
Cc1ccc(s1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37654365,PC-id_43463027	248.364	QZYLLMAUHCFVIE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027199
Cc1ccsc1C(=O)c1sc2c(c1)CCC2	EMOLS-id_38437585,PC-id_61604159	248.364	WBYUSVCSUMKYSC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027200
Cc1sccc1C(=O)c1sc2c(c1)CCC2	PC-id_102840081	248.364	RREKMGQXLXQLQA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027201
Cc1scc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114976093	248.364	RXKLPAJYGKVAOC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027202
CC(C1CCCC1)n1nc2CCC(C)c2c1CO	EMOLS-id_330990011,MCULE-7557026322	248.364	VJMNHVJNAAQKAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027203
CC(C1CCCCC1)n1nc2CCC(C)c2c1O	MCULE-6689526448,EMOLS-id_331007653	248.364	GXAOCRHJGZNXTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027204
CC(c1oc(c2c1N=NC2(C)C)C(C)(C)C)(C)C	PC-id_102433740	248.364	KWOMVDPNMDBEJM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027205
CCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N	PC-id_12369141,SCHEMBL11613222	248.364	YRLSTDRNUOJUKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027206
O=C1CC(c2n1c(C)nc2)(C(C)(C)C)C(C)(C)C	PC-id_141645654	248.364	MSQRKZBTJWUTHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027207
O=C(c1sc2c(c1)CCC2)Cc1cccs1	PC-id_61056487,EMOLS-id_38050778	248.364	QFGGZMJXQQBDCD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027208
C1CCN(CC1)CCNCc1n[nH]c2c1CCC2	PC-id_104385090,EMOLS-id_315872765	248.367	WDQUAHFYFWVXLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027209
CC1CC(c2c1[nH]nc2NC1CCNCC1)(C)C	PC-id_106664116	248.367	MGQWVDPDNIHVAR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027210
CC1CC(c2n1ccn2)NCC1(N)CCCCC1	EMOLS-id_102112878	248.367	WVOGFRFRMLYAQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027211
CC(C1CC(C1)NC(c1nnc2n1CCC2)C)C	PC-id_103561575	248.367	UJTLONSUPMPGOG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027212
CCC1CCCC1NC(c1nnc2n1CCC2)C	PC-id_116175439	248.367	WUHUVYKGNILUGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027213
CC(CN1CCCC1)NCc1n[nH]c2c1CCC2	PC-id_104407004	248.367	VGFKCLQAXWTUKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027214
CC(NC(c1nnc2n1CCC2)C)CC1CCC1	PC-id_116082819	248.367	VVVKYJRFBUUWJK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027215
CNCc1c2CNCc2nn1CC1CCCCC1	MCULE-7033345069,EMOLS-id_324350817	248.367	HLDBPBSLAYQMAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027216
C(NCc1n[nH]c2c1CCC2)CCN1CCCC1	EMOLS-id_315082914,PC-id_113411458	248.367	KJBMHHRLRZYPMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027217
CN(C)Cc1c2CNCc2nn1CC1CCCC1	EMOLS-id_324353892,MCULE-3392308380	248.367	AALMXPAJZNOXJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027218
N(C1CC(CC1)CC)C(c1n2CCCc2nn1)C	PC-id_64502142	248.367	WDNSBQPYMYLMRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027219
N(C1C(CCC1)(C)C)C(c1n2CCCc2nn1)C	PC-id_79860178	248.367	DKLCMJAYKGNAJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027220
N(C1CC(CC1)(C)C)C(c1n2CCCc2nn1)C	PC-id_80705837	248.367	WUXHQBJKIGXWBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027221
N(C1CCC(CC1)C)C(c1n2CCCc2nn1)C	PC-id_43748065	248.367	GFLIEGPHLAIBCA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027222
N(C1C(CCCC1)C)C(c1n2CCCc2nn1)C	PC-id_43748076	248.367	XVCSIMHAQLGDPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027223
N(C1CC(CCC1)C)C(c1n2CCCc2nn1)C	PC-id_43748078	248.367	DQSBZUJDQJOGHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027224
NC1CCCC(C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_102116581	248.367	RRDOHMSKSGMUJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027225
N(C1CCCCCC1)C(c1n2CCCc2nn1)C	PC-id_43748066	248.367	QKFAQPRXRORUPQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027226
N(C(C1CCCC1)C)C(c1n2CCCc2nn1)C	PC-id_55097010	248.367	NEYLXXBWIOKZSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027227
N(CC1CCCCC1)C(c1n2CCCc2nn1)C	PC-id_43748087	248.367	FXRQWUPSNZRRCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027228
NCC1CCCCC1NC1CC(n2c1ncc2)C	EMOLS-id_102103478	248.367	TZIDZNDZNOYWON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027229
NCC(C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_102097610	248.367	MSJWJQPQIZCQRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027230
NCC(C1CCCCC1)NC1CCn2c1ncc2	EMOLS-id_102103547	248.367	QOPWOPBGPCVWPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027231
NC[C@@H]1CC[C@H](CC1)CNC1CCn2c1ncc2	EMOLS-id_102120523	248.367	MUETTYKFQLZKIZ-TWEVBFGDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027232
N[C@@H]1CCCC[C@H]1NC(c1cc2n(n1)CCC2)C	EMOLS-id_102151071	248.367	ISYVJADMCFRCQQ-SKVSWLLESA-N	00000010100010000001000010000000000000000000000000000000	25-01-027233
c1(C(O)C2=CCCCCC2)cc2c(CCC2)s1	PC-id_62078234,MCULE-2113060807	248.384	OMWZDWAGDDZQHH-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-027234
CC1CCC(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_114975136	248.384	OGYXSPJIVQMGEW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027235
CC1CCCC(C1)C(=O)c1sc2c(c1)CCC2	PC-id_114976382	248.384	VKERUHBMXJXYKN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027236
C=CCCCCCC(=O)c1sc2c(c1)CCC2	PC-id_107011104	248.384	JOYJPZFLPVZJRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027237
O=C(c1sc2c(c1)CCC2)C1CCCCCC1	PC-id_115794913	248.384	UGJCCWBRWIONJN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-027238
O=C(c1sc2c(c1)CCC2)CC1CCCCC1	PC-id_114967688	248.384	NKTQUKVJONMICR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027239
C1CCN=C(CC1)NCc1sc2c(c1)CCC2	EMOLS-id_42318587,PC-id_79507920	248.387	LIKJZZBKXXCQQA-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-027240
N#CC(CCNCc1sc2c(c1)CCC2)(C)C	PC-id_65247831,EMOLS-id_41123239	248.387	PADSAXHQULXVEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027241
NNC(c1sc2c(c1)CCC2)C1=CCCCC1	PC-id_106650446	248.387	AYHLLTAKJOHBGH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-027242
s1c(nc2c1CCC2)C(NC1CC1)(C1CC1)C	PC-id_61334688	248.387	KNBLDWSMPCGJLZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027243
s1c(nc2c1CCC2)C(NC1CC1)C1CCC1	PC-id_80488119	248.387	PGFVPPQLDBRZFV-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-027244
CCCC1=C(c2c(scc2C1)CCC)CCC	PC-id_91336759	248.427	JLFSTXQUAFYRFT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-027245
Clc1ccc(cn1)Cn1ccc2c1COC2=O	PC-id_122425301,SCHEMBL17943481	248.665	LJFAEUBHUJJCFF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-027246
C1Cn2c(c(nn2)C(=O)c2ccc(cc2)Cl)N1	PC-id_136199869,CHEMBL1221799	248.668	HYFHHKLPZCIZQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027247
Clc1ccc(cc1)[C@@H](c1cnc2n1CCC2)O	CoCoCo_6271679	248.708	BTLABYJXXMWYIE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027248
Clc1ccc(cc1)[C@H](c1cnc2n1CCC2)O	CoCoCo_6271680	248.708	BTLABYJXXMWYIE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027249
Clc1ccccc1Cn1nc2c(c1O)CCC2	EMOLS-id_260375329	248.708	YFHPEBXONJTYQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027250
Clc1ccc(cc1)Cn1nc2c(c1O)CCC2	EMOLS-id_314867005	248.708	OENKQSLTWBKMJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027251
Clc1cccc(c1)Cn1nc2c(c1O)CCC2	EMOLS-id_315192596	248.708	TUGMPXBPDGZYSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027252
Clc1ccc(Cn2[nH]c3c(CCC3)c2=O)cc1	PC-id_66022351	248.708	VECZCZIDDMWWKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027253
Clc1cc(Cn2[nH]c3c(CCC3)c2=O)ccc1	PC-id_66020287	248.708	MHDARUMEGFIYID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027254
Clc1c(Cn2[nH]c3c(CCC3)c2=O)cccc1	PC-id_66021318	248.708	GXCDUVNQFDHGKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027255
Clc1ccc(cc1)NCc1nnc2n1CCC2	PC-id_54924347,EMOLS-id_37876900	248.711	ZSPFQDQYJOFLBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027256
Clc1cccc(c1)NCc1nnc2n1CCC2	PC-id_60836045,EMOLS-id_37876898	248.711	NSNRNCPSOKUAOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027257
ClS(=O)(=O)c1c2CCCc2oc1C(C)C	PC-id_84706744	248.726	MCVJVASXGXAOTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027258
ClS(=O)(=O)CCc1c2CCCc2oc1C	PC-id_84803628	248.726	MJRGHSURYHDOKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027259
c1(c2CCCc2nn1C(C)C)S(=O)(=O)Cl	EMOLS-id_178071755,MCULE-5033545138	248.73	MZUORHISFNLFPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027260
Clc1n(CCS(=O)(=O)C)nc2c1CCC2	EMOLS-id_41631932,PC-id_66014314	248.73	JJGWSOFTYKTWDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027261
c1(C(=O)OCC)c2CSCc2sc1Cl	EMOLS-id_331063083,MCULE-5253292198	248.75	QRGKYZZALSEDNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027262
c1(C(=O)OCC)sc2CSCc2c1Cl	MCULE-6788280313,EMOLS-id_330872131	248.75	UOIMXVWACXFAKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027263
ClC(c1sc2c(CCC2)c1)c1ccccc1	PC-id_61081157	248.771	GFSZIKRCMNKJHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027264
CC1=C2CN(CC2=NN1)I	PC-id_163654564	248.976	IPBCZHMWKGXMRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027265
CS(=O)(=O)N1C=C2CN(CC2=N1)C(=O)Cl	PC-id_148600846	248.997	NCLZORUQRHMWGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027266
In1cc2c(n1)C(=O)NC2	SCHEMBL12430917,PC-id_68262716	249.009	KSXIHMGQYKQSRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027267
CS1(CC(=O)C2=C1OC(=C2)S(=O)(=O)N)C	PC-id_154217682	249.013	IPJCERMAZNTMCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027268
c12CNCc1nn(C)c2I	EMOLS-id_324345442,MCULE-6748807528	249.052	TXTOGTPQTQKTMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027269
c12N(C)CCn1ncc2I	EMOLS-id_317868016,MCULE-7062910608	249.052	XMELGYXZGRARGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027270
c12N(C)CCn1nc(I)c2	MCULE-6829155207,EMOLS-id_317868273	249.052	XSLMHGLPBXPQRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027271
c12NCCn1nc(C)c2I	EMOLS-id_317869297,MCULE-7587912728	249.052	UJNAZIDTLSUVFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027272
c1(C(=O)O)c2COCc2sc1Br	PC-id_83679810,EMOLS-id_331061551,MCULE-2491646940	249.082	MNULDODASGHPEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027274
CC(=O)c1sc(c2c1OCO2)Br	PC-id_97758499	249.082	LVXLUGCQIGHSLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027275
OC(=O)c1sc2c(c1Br)OCC2	PC-id_97758498	249.082	NLDFBKSWVVWRPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027276
Brc1n2CCSc2nc1C(=O)O	PC-id_84018678	249.085	ONBHNKDCKZSZLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027277
Brc1nc2SCCn2c1C(=O)O	PC-id_84018679	249.085	XUEWUDDKNTZOSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027278
Brc1sc2c(n1)CN(C2)C(=O)O	PC-id_67056428,SCHEMBL1503764	249.085	ZQUUJDUIKLUPJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027279
OC(=O)C1Cc2nc(Br)sc2N1	EMOLS-id_32233965,MCULE-8607442401,PC-id_68541042,SCHEMBL3183206	249.085	WXUZFMPZRIQDOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027280
O=C1NCc2c1cc([nH]2)[B]OC(C(O)(C)C)(C)C	PC-id_145632011	249.094	WTMTWPLBSCCKEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027281
CC1=C(N2CCCC2=C1C(=O)C(=O)C)C(=O)OC	PC-id_147647251	249.1	GIURAHVTDKABBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027282
O[C@@H]1C(=O)c2c([C@H]1[NH3+])c(sc2)Br	GD-id_ZINC03593284	249.105	BDWMVARHDFOHMR-XINAWCOVSA-O	00000010100000000000000010000000000000000000000000000000	25-01-027283
Cc1c(n2CCCc2c1C(=O)C(=O)NC)C(=O)N	PC-id_163657602	249.111	IRPIYOXTNSWWCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027284
CN1CC2=C(N=CN2C1)CN3CCC(=O)NC3=O	PC-id_148896782	249.123	PFZXUSKSKKVASI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027285
c1(CBr)c2COCc2sc1OC	MCULE-6413144762,EMOLS-id_331061550	249.125	NRVLPSLGCPGWQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027286
OC(=O)c1coc2CN(Cc12)C(=O)C(F)(F)F	EMOLS-id_331239948	249.143	WBWZEKHOFKFVOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027287
OC(=O)c1cnn2CCN(C(=O)C(F)(F)F)c12	EMOLS-id_261849871	249.147	GVZPCCGQBHHAFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027288
OC(=O)C1N(Cc2n[nH]cc12)C(=O)C(F)(F)F	EMOLS-id_331241335	249.147	WIBHRRPSWVTBFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027289
Brc1sc2CSCc2c1C=O	MCULE-9400276963,EMOLS-id_331060267	249.148	QGETUUULBNXLJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027290
C[C@@]1(CCOC1)CNC(=O)C2=NN3CCCC3=C2	PC-id_164632286,ZINC22_333547247	249.148	LZEPAKRTUBIZPE-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027291
FC(F)(F)C1=C(c2n(C1)c(c(n2)C#N)C#N)C#N	SCHEMBL2267041,PC-id_23063976	249.152	UPWGQQVCXRODIL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027292
FC(F)(F)C1=C(c2n(nc([N+]#[C-])c2C#N)C1)C#N	PC-id_22944547	249.152	HJGBZGRJCUJOQM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027293
FC(F)(F)c1cn2C(C(=Nc2c1C#N)C#N)C#N	SCHEMBL2267047,PC-id_67340956	249.152	OQJDGOISXPGHPB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027294
CC1=C2C(=NN1C(C)C)C(N(C2=O)C(C)C)(C)C	PC-id_160760709	249.184	RYAIKJMYFCNZQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027295
c12CN(Cc1nn(C)c2C(=O)O)CC(F)(F)F	MCULE-6790631990,EMOLS-id_324342631,PC-id_83919714	249.19	UYVIJLIPPUNXMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027296
c12N(CCn1nc(C(=O)OC)c2)CC(F)(F)F	MCULE-3304069435,EMOLS-id_317874421	249.19	QSUZVGUYLUKBCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027297
c1(C(=O)NC)c2COCc2nn1CC(F)(F)F	MCULE-4175306384,EMOLS-id_324400475	249.19	DHJBFKBVLXYXJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027298
CCC(C1CC(c2n1nc(n2)C(=O)O)F)(F)F	PC-id_137408552,SCHEMBL20641363	249.19	UOCXVRNMYAWUBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027299
CCC([C@@H]1C[C@@H](c2n1nc(n2)C(=O)O)F)(F)F	SCHEMBL20641090,PC-id_137408312	249.19	UOCXVRNMYAWUBZ-WHFBIAKZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027300
CCOC(=O)c1nn2[C@@H](CCc2n1)C(F)(F)F	PC-id_134571285,SCHEMBL20221899	249.19	KYSLPMNMQCOYOY-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027301
FC(F)(F)CN1Cc2n(nc(c2C1)C(=O)O)C	PC-id_83919717	249.19	LTXSVHSVQJZCAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027302
FC(C(=O)NC1c2c(scc2)C(=O)C1)(F)F	PC-id_2783003,EMOLS-id_916781,MCULE-1883298267	249.21	FKVBTDCXJXCSIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027303
FC(F)(F)C(=O)N[C@H]1c2c(scc2)C(=O)C1	ZINC22_3883585,MCULE-9948022593,PC-id_7062166	249.21	FKVBTDCXJXCSIZ-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027304
O=C1C[C@H](NC(=O)C(F)(F)F)c2ccsc12	PC-id_7014995,EMOLS-id_323975199,ZINC22_2505806	249.21	FKVBTDCXJXCSIZ-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027305
s1c2c([C@H](N)[C@H](C2=O)C(=O)C(F)(F)F)cc1	PC-id_23242641	249.21	BKCVWQYAVHDQRA-UHNVWZDZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027306
s1c2c(C(N)C(C2=O)C(=O)C(F)(F)F)cc1	PC-id_14144514	249.21	BKCVWQYAVHDQRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027307
Fc1cccc(c1Cn1ncc2c1CNC2=O)F	PC-id_110171013	249.216	MSAHBGIRVNEMAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027308
Cc1nn(c(=O)o1)CC(=O)N1CCn2c1ccn2	EMOLS-id_316555086	249.226	GPNKQMZPTMOPPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027309
O1C(Cn2c1nc([N+](=O)[O-])c2)(Cn1ccnc1)C	SCHEMBL5541642,PC-id_69481213	249.226	VBERIBLJVBMKHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027310
c12CN(Cc1nn(C(C)C)c2O)CC(F)(F)F	EMOLS-id_324338280,MCULE-7624339495	249.233	PRYPNPZZSKBVMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027311
Cc1cc(N/C=c/2sc3ncnn3c2=O)no1	ZINC22_618254904	249.249	JKUUIDGKERLUGE-UTCJRWHESA-N	00000000100000000001000010000000000000000000000000000000	25-01-027312
n12ncnc1sc(=CNc1cc(on1)C)c2=O	MCULE-2766538803	249.249	JKUUIDGKERLUGE-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-027313
O=C(C(F)(F)F)NCc1sc2c(c1)CCC2	PC-id_62728795,EMOLS-id_96716722	249.253	QLORKOGBIYYJLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027314
O=C(NCC(F)(F)F)c1cc2c(s1)CCC2	PC-id_51073043,ZINC22_48252053,MCULE-8008132191,EMOLS-id_42933193	249.253	SMLCBNAGKAEZTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027315
COC(=O)C1(C=Cn2c1ccc2)C(=O)OC(C)C	PC-id_139746929	249.262	MTUVTCPAQFKDGL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-027316
OC(=O)C1CCn2c1ccc2C(=O)C1COCC1	PC-id_139746961	249.263	ITHNYFDASLJZHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027317
S1c2n(nc(n2)Cc2ccc(F)cc2)C(=O)C1	PC-id_82357947	249.264	DWMPBGGADYNVQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027318
CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)C1CC1	PC-id_69252618,SCHEMBL4948572	249.266	ODBWYNAKHFNSSS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027319
CC(=O)N1Cc2nc(C(=O)NCC3CC3)oc2C1	ZINC22_96266021,PC-id_97525783,EMOLS-id_44379870	249.266	CMVCSPMYFHUSPS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027320
O1C(=COCC1)C(=O)Nc1n(nc2c1CCC2)C	PC-id_45536320	249.266	MRMJBCPAXNUHIH-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-027321
O=C1N(CC(C1)C(=O)O)Cc1n[nH]c2c1CCC2	PC-id_50970929	249.266	OWDWHCOERHIAPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027322
O(C(C)(C)C)C(=O)N1Cc2oc(nc2C1)CC#N	PC-id_83949615	249.266	UYTXSZQBZAGPRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027323
O=C(N1CCOC1=O)CCC1CCn2c1ncc2	PC-id_101218440	249.266	DNOSTYJKNAWMKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027324
OC(=O)[C@@H]1CC(=O)N(C1)Cc1n[nH]c2c1CCC2	PC-id_95208850	249.266	OWDWHCOERHIAPH-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027325
OC(=O)[C@H]1CC(=O)N(C1)Cc1n[nH]c2c1CCC2	PC-id_95208851	249.266	OWDWHCOERHIAPH-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027326
C1CN(CCN1)C(=O)N1Cc2c(C1)[nH]nc2C=O	SCHEMBL19812493,PC-id_134207829	249.269	NPXUSNYMBFLENF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027327
O=C1CC[C@H](C(=O)NCc2nnc3n2CCC3)N1	PC-id_95159593,ZINC22_65613418	249.269	YGSYQADQEQYRHB-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027328
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCC3)N1	ZINC22_65613414,PC-id_95159592	249.269	YGSYQADQEQYRHB-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027329
O=C1CCC(N1)C(=O)NCc1nnc2n1CCC2	PC-id_53519923,MCULE-8502361981,EMOLS-id_35694884	249.269	YGSYQADQEQYRHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027330
O=C1NCCCN1CC(=O)N1CCn2c1ncc2	EMOLS-id_320210779,MCULE-5714062978	249.269	IBTMPLXOQJJFPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027331
O=C(C1NCc2c1c[nH]n2)NC1CC(=O)N(C1)C	EMOLS-id_318877799	249.269	QOSPIBKUDDEICU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027332
O=C(NN1CCCNC1=O)c1cn2c(n1)CCC2	ZINC22_1349446357	249.269	HEAMBRWODZUZJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027333
C1CC1CC1CC(c2nc(nn12)C(=O)C1CC1)F	PC-id_137412460,SCHEMBL20645868	249.284	WSMYIKJXOJMJMT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027334
C1CC1C[C@@H]1C[C@@H](c2nc(nn12)C(=O)C1CC1)F	PC-id_137408036,SCHEMBL20640691	249.284	WSMYIKJXOJMJMT-ZJUUUORDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027335
C/C=CC(=C/C)[C@H]1C[C@H](c2n1nc(n2)C(=O)C)F	PC-id_142514962	249.284	MLOJYXVUQBAGDZ-FWNFKXNSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027336
CC#CC(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107986451	249.286	GPPXFHMFKNUDHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027337
C#CCC(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108019756	249.286	LZYIIBYSTQQEST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027338
Nc1sc2c(c1C(=O)c1ccco1)C(OC2)C	PC-id_67300732,SCHEMBL2162435	249.286	RMKJVZWPIQEESK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-027339
s1c2CCCc2nc1Cc1oc(cc1)C(=O)O	PC-id_24277456	249.286	PSNDDAGEIDTQDE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-027340
CCC(=O)C(Cc1nc2p(c1C)CC(=C2)C)C	PC-id_145687666	249.288	KMHGXHYRJBIWIH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027341
C1Cc2c(C1)sc(c2)CN=C1NC(=O)C(=O)N1	PC-id_136323607	249.289	LEPQNOVFXNQNNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027342
c1(NC(=O)c2ccco2)n(C)nc2CSCc12	EMOLS-id_188945995,MCULE-8488011316,STOCK7S-68185,ZINC22_604419661	249.289	QFMJRSFSRONART-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-027343
c1(sc2CCCc2n1)NC(=O)c1cc(C)no1	CoCoCo_5249158,Chemmine_50982,ZINC22_12422402,EMOLS-id_53851623,MCULE-5751626909,PC-id_16879811	249.289	GYAYJWOKONJQAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027344
c1(sc2c(CCC2)n1)NC(=O)c1cc(on1)C	ZINC22_9204116,PC-id_16953684,CoCoCo_5126339,EMOLS-id_12359715,MCULE-3789870169	249.289	AROGAQIRAUIJJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027345
O=C(c1sc2c(c1)CCC2)NCc1cnon1	MCULE-6302680733,EMOLS-id_320163943	249.289	DNZNJZRHXHRKGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027346
O=S(=O)(c1ccccc1)N1Cc2c(C1)cn[nH]2	PC-id_140160236	249.289	ZITYGQDYNVDABJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027347
O=S(=O)(C1CCn2c1cnn2)c1ccccc1	PC-id_101762699	249.289	FXJJNZQBHXDCGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027348
Cc1nnc(NC(=O)c2n[nH]c3CCCc23)s1	EMOLS-id_110647413,MCULE-4847413170	249.292	VTWCHXCXFRHZSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027349
Cc1n[nH]c(n1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315445433,PC-id_80385855	249.292	DBRJHXPSFTWRRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027350
Cc1nsc(n1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111210435	249.292	JULZPUNORZTPGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027351
Cn1nc2c(c1NC(=O)c1cnns1)CCC2	EMOLS-id_110216728	249.292	XLYMHISHTRRCOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027352
Cn1nc2c(c1NC(=O)c1csnn1)CCC2	EMOLS-id_110811730	249.292	WEISQQULIDMLQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027353
Cn1nnc(C(=O)NC2Cc3cscc3C2)n1	ZINC22_2325791253	249.292	HDXGLFDZMSXYSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027354
Cn1nnc(n1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_316700658	249.292	JILOUIUAVKVLHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027355
Nc1n[nH]c(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_40587320,PC-id_64525061	249.292	FVCXVZWKDFEFNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027356
O=C(c1ccns1)NC1CC(n2c1ncn2)C	EMOLS-id_319892786,MCULE-1974701462	249.292	SVTPSAVLOQYCBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027357
O=C(c1cnns1)NCc1cnc2n1CCC2	EMOLS-id_320170511,MCULE-3471682985	249.292	YEHUHMIZVMMCQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027358
O=C(c1cnns1)NCc1n[nH]c2c1CCC2	EMOLS-id_319532560	249.292	FNRFLIMFWPLTOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027359
O=C(c1csnn1)NCc1cnc2n1CCC2	EMOLS-id_319958143,MCULE-5713166741	249.292	HHTGDMSIBCXKMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027360
O=C(c1csnn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319498072	249.292	TXFDNBWOYLLCQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027361
O=C(C1NCc2c1c[nH]n2)Nc1ncc(s1)C	EMOLS-id_320316540,MCULE-2280070084	249.292	NXTBHYZCKZIBGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027362
O=C(C1NCc2c1c[nH]n2)Nc1scnc1C	EMOLS-id_320258496,MCULE-8338572266	249.292	DDCATMSXDGRLMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027363
O=C(c1[nH]nnn1)NCc1sc2c(c1)CCC2	PC-id_80368948,EMOLS-id_315427251	249.292	HVMKNIMLWMAPHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027364
O=C(c1n[nH]cc1N)Nc1sc2c(n1)CCC2	PC-id_63102339,EMOLS-id_39594992	249.292	VKIMKKIUSSYUTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027365
O=C(c1sc2c(c1)CCC2)NCc1[nH]nnn1	EMOLS-id_38629922,PC-id_61851571	249.292	WLDGVUCIHBWBEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027366
O=C(c1snc(c1N)C)N1Cc2c(C1)cn[nH]2	EMOLS-id_318409826	249.292	GVWUGVINQWPEAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027367
O=C(CN1CCn2ccnc12)Nc1nccs1	ZINC22_931522794,PC-id_146139298	249.292	KIOCICHGMGYFFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027368
O=C(N1CCn2c1ncc2)Nc1csnc1C	EMOLS-id_318807755	249.292	ANTNZLXIJRTDMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027369
O=C(N1CCn2c1ncc2)Nc1snc(c1)C	EMOLS-id_319874326	249.292	JHWWBKYHIOKZEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027370
CC1CCc2c1c(CNCC(F)(F)F)cs2	PC-id_114749175	249.296	FFCNRDFTSNHQDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027371
FC(CCNCc1sc2c(c1)CCC2)(F)F	EMOLS-id_40613341,PC-id_64554412	249.296	NZEJECRCLBLDQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027372
NC(c1sc2c(c1)CCC2)CCC(F)(F)F	PC-id_104992661	249.296	YYUBEKMSOVNPGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027373
Fc1cncc(c1)C(c1sc2c(c1)CCC2)O	PC-id_113658367	249.304	SBHXMJMFIPEFQC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-027374
Fc1cnccc1C(c1sc2c(c1)CCC2)O	PC-id_115833942	249.304	GSLSGPHPMCVRCX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-027375
CC1OCCC1COC(=O)c1[nH]c2c(c1)CCC2	PC-id_146108578,EMOLS-id_324051325,MCULE-7155643536	249.306	LAEKQTVOZCXVPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027376
CC1OC(C(C1)NC(=O)c1occ2c1CCC2)C	EMOLS-id_319015460	249.306	BYJBUYKADPFFGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027377
CC1OCCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_102290384	249.306	AASKCNLIUWZBOB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027378
CC1OCCN(C1C)C(=O)c1occ2c1CCC2	EMOLS-id_102936576	249.306	XQYRFFXJZMKQHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027379
CC1OCC(N(C1)C(=O)c1occ2c1CCC2)C	EMOLS-id_102515139	249.306	OZVKHVRLQBFROR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027380
CCCCCCCCn1cc2c(c1)C(=O)OC2=O	PC-id_102529433	249.306	NPQBOSUNKAYAGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027381
CCCCCCCCN1C(=O)c2c(C1=O)coc2	SCHEMBL1690104,PC-id_67122606	249.306	RIEFGMGOESNFRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027382
CCCCC(CN1C(=O)c2c(C1=O)coc2)CC	PC-id_102293952	249.306	ZXSRGLVZWVGGMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027383
C[C@@H]1OCC[C@@H]1COC(=O)c1cc2c([nH]1)CCC2	ZINC22_1875269584	249.306	LAEKQTVOZCXVPA-GXSJLCMTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027384
C[C@H]1OCC[C@H]1COC(=O)c1cc2c([nH]1)CCC2	ZINC22_1875269585	249.306	LAEKQTVOZCXVPA-KOLCDFICSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027385
C[C@H]1OCC[C@@H]1COC(=O)c1cc2c([nH]1)CCC2	ZINC22_1875269586	249.306	LAEKQTVOZCXVPA-MWLCHTKSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027386
C[C@@H]1OCC[C@H]1COC(=O)c1cc2c([nH]1)CCC2	ZINC22_1875269587	249.306	LAEKQTVOZCXVPA-ONGXEEELSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027387
C[C@@H]1O[C@H](C)CN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_102711984	249.306	VARGIOAGLWSUIP-AOOOYVTPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027388
CCOC1=Cc2c(C1)c(c[nH]2)C(=O)OC(C)(C)C	PC-id_58713655,SCHEMBL15444917	249.306	DAPOGMHYHRYWAX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-027389
OC1CN(C(C1)(C)C)C(=O)c1occ2c1CCC2	EMOLS-id_319029384	249.306	VLKIOUXMFMWZNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027390
O=C(c1occ2c1CCC2)N1CCOC(C1)(C)C	EMOLS-id_102535824	249.306	ZMSAWFBJQODGLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027391
O(C(C)(C)C)C(=O)n1c2c(CCC2=O)cc1CC	PC-id_10729301	249.306	WRAICDSSLGHOPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027392
O=C(N1CCOCC1(C)C)c1occ2c1CCC2	EMOLS-id_102319446	249.306	FMPZOXOIYLPJNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027393
Cc1cccc(c1)C#Cc1cn2c(c1)C(=O)C(C2)C	SCHEMBL14249562,PC-id_71118024	249.307	XNBKCBVXKRXVME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027394
C#Cc1cccc(c1)CC1CCc2c1cc([nH]2)C=O	PC-id_144126377	249.307	OXZRCRRKDYIQNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027395
Fc1cnc(nc1)NCc1sc2c(c1)CCC2	EMOLS-id_315881393,PC-id_113286052	249.307	LMXBQGSXBMNXOD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-027396
Fc1ncnc(c1)NCc1sc2c(c1)CCC2	PC-id_106194039	249.307	SYLCIECATSBLCX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-027397
O=C1c2cc(cn2CC1(C)C)C#Cc1ccccc1	PC-id_71117458,SCHEMBL14248846	249.307	CMEPQVADPPEFRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027398
OC1c2cc(oc2SC1(C)C)S(=O)(=O)N	SCHEMBL9865070,PC-id_15165690	249.307	YPBWBBDCBRUFHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027399
s1c2CN(Cc2nc1N)Cc1ccc(F)cc1	PC-id_82194250	249.307	YDMLGECOLKABHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027400
s1c2CN(Cc2nc1N)Cc1cc(F)ccc1	PC-id_82194248	249.307	ZQNOTHHAOWXYHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027401
s1c2CN(Cc2nc1N)Cc1c(F)cccc1	PC-id_82194247	249.307	UDFCLXCVCYBKQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027402
c12CN(Cc1nn(CC1CCC1)c2)C(=O)OCC	MCULE-4482578415,EMOLS-id_324341345	249.309	JSPOMTIMAQQMRR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027403
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CO)C1	EMOLS-id_334709961,PC-id_110900805,MCULE-6566964058	249.309	JDYCDSHRRZWHQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027404
C1CCCC(CC1)NC(=O)c1nn2CCOc2c1	PC-id_91959778	249.309	WAXDQAVPBYZYQJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027405
c1(CN(C)C(=O)C2CCCO2)c2CCCc2[nH]n1	PC-id_91771208,EMOLS-id_55634528,MCULE-7591835603	249.309	BGHPQUGXNPIVKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027406
c1(CNC(=O)C2CCOC2)c2CCCc2nn1C	EMOLS-id_53884653,PC-id_91819392,MCULE-1215731322	249.309	SPFCKHFZBGGFGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027407
c1(C(=O)N2CCC(CC2)CO)c2CCCc2[nH]n1	PC-id_112365500,EMOLS-id_334699204,MCULE-3472437035	249.309	RVRAKENQALCLFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027408
c1(C(=O)N2CCC(O)CC2)c2CCCc2n(C)n1	EMOLS-id_320480525,MCULE-6641830971,PC-id_84467606	249.309	CFHSAAZUIGDDJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027409
c1(C(=O)NC2CC2)c2COCc2nn1C(C)(C)C	MCULE-2855994555,EMOLS-id_324400988	249.309	RVHUACRDGFXZRT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027410
c1(C(=O)NCC2CCCO2)c2CCCc2n(C)n1	EMOLS-id_179745031,PC-id_110388988,MCULE-5094096623	249.309	ZQNXPPYJEJELKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027411
c1(C(=O)NCC2CCOCC2)c2CCCc2[nH]n1	MCULE-6815873669,EMOLS-id_323257777	249.309	WNDPDSFLKYGFMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027412
c1(C(=O)NC)c2COCc2nn1CC1CCCC1	MCULE-6773139682,EMOLS-id_324399195	249.309	KTBHIDTWEXAERV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027413
c1(C(=O)N(C)C)c2COCc2nn1CC1CCC1	EMOLS-id_324400986,MCULE-7475544611	249.309	ZKEUHSZOORXMAU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027414
c1(C(=O)O)c2CNCc2nn1CC1CCCCC1	EMOLS-id_324345190,MCULE-7976844542	249.309	HJSOJMXNSDRLBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027415
Cc1c2n(CCO2)nc1C(=O)N1CCCCCC1	PC-id_91959971	249.309	BJMKNMGPMKCLLU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027416
CC1CCCC(N1C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_102734185	249.309	PRPKUDLRDHISSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027417
CC1CCCCN1C(=O)c1nn2CCOc2c1C	PC-id_91959951	249.309	KJRVRZQCUXFQLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027418
CC1CCCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102681762	249.309	UIXWEXLTVYVGAY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027419
CC1CC(C)CN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_50187663,PC-id_91959847	249.309	YWVVMGSFROUFDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027420
CC1CCC(N1C(=O)c1nn2c(c1)OCC2)(C)C	EMOLS-id_102914790	249.309	CPQZETXJQFHIDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027421
CC1CCCN(C1C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102587739	249.309	WRNJVRSQARQPDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027422
CC1CCC(N(C1)C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_102588312	249.309	WVPUMLDEVDCGDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027423
CC1CCCN(C1)C(=O)c1nn2CCOc2c1C	PC-id_91959967	249.309	YLKGZZKCIFPQTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027424
CC1CCC(O1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_100260845	249.309	MLUSFMLRLLCLRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027425
CC1CCC(O1)C(=O)NCc1cnc2n1CCC2	MCULE-4729130091,EMOLS-id_320204255	249.309	DCKKFWJPIPKNJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027426
CC1CCC(O1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_320229761,MCULE-6480653090	249.309	VUPGKAFFZSPADG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027427
CC1CCC(O1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318961446	249.309	SUCFZYDHZWZSQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027428
CC1(CCCO1)C(=O)NCc1n[nH]c2CCCc12	MCULE-2568310250,PC-id_119071971,EMOLS-id_82735799	249.309	HLUSKFCAMULCFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027429
CC1CCN(CC1C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102731281	249.309	BBCNBKGBDAGKJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027430
CC1CCN(CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959968	249.309	JQFSHXLTOXZRRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027431
CC1CCN(CC1O)C(=O)c1n[nH]c2c1CCC2	PC-id_109957853	249.309	VMEFAKJRZXUHOX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027432
CC1CC(O)CN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-8399880407,EMOLS-id_303493997	249.309	UWCYLPUNNKHPIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027433
CC1CN(C(C1)(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102648410	249.309	QIMNBYNVJDTGMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027434
CC1CN(CC(C)O1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_303431747,MCULE-5510872722	249.309	FHGCBZBCIKIWPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027435
C[C@@]1(CNC(=O)c2cc3n(n2)CCC3)CCOC1	ZINC22_333547248	249.309	LZEPAKRTUBIZPE-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027436
CC1COC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318952552	249.309	PRVOOTJTRGZCRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027437
C[C@]1(C(=O)NCc2n[nH]c3c2CCC3)CCCO1	ZINC22_426647890	249.309	HLUSKFCAMULCFW-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027438
C[C@@]1(C(=O)NCc2n[nH]c3c2CCC3)CCCO1	ZINC22_426647891	249.309	HLUSKFCAMULCFW-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027439
CC1OCCC1(C)NC(=O)c1cnn2c1CCC2	EMOLS-id_101335840	249.309	YRAPCQKTXZFEPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027440
CC1OCCC1(C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101335864	249.309	WRHOSQFYSGLYHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027441
CC1OCCC1(C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99386841	249.309	ORSLIBBBBBRBRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027442
CC1OC(C(C1)C(=O)NC1CCn2c1ncc2)C	EMOLS-id_319280475	249.309	WGPLIWPNBSSVGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027443
CC1OCC(C1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_101127003	249.309	ONKUHRKNGXSJCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027444
CC1OCCCN(C1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102944347	249.309	GWIUIYALEPXCTG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027445
CC1OCCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102401047	249.309	VSMBBEBMLLXHMM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027446
CC1OCCN(C1C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102952341	249.309	VIYLSRFNTOKSQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027447
CC1OCCN(C1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102584372	249.309	RPWVJHQZQVHYHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027448
CC1OCC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_102616488	249.309	QIDZGWMQGPWSBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027449
CC(C1(C)CC1NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_101522373	249.309	XPNLXWVCXPJAHT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027450
CC(C1CCN(C1)C(=O)c1n[nH]c2c1CCC2)O	EMOLS-id_110957478	249.309	AWCHVRWPKPSWRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027451
CCC1(COC1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101558549	249.309	OQYYQKATZGONKZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027452
CCCC=CC(C(=O)N1Cc2c(C1)cnn2C)O	EMOLS-id_316539732	249.309	DNGDWNXWGYTLAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027453
CC(C[C@@H]1C[C@H]1NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_101513646	249.309	KSVMYCRJUGOBDJ-NXEZZACHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027454
CC[C@@H]1OCC[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_101523720	249.309	RMDFLKCMPQJWCI-PWSUYJOCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027455
CC[C@@H]1OCC[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101523735	249.309	KQGXJHBXAILXIU-PWSUYJOCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027456
CC[C@@H]1OCC[C@H]1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101528331	249.309	IWWPRUVRBSJQSM-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-027457
CCCNC(=O)c1oc2c(n1)CN(C2)CC1CC1	PC-id_97525766	249.309	RUOCRKUZFGYXPU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027458
C[C@@H]1CCC[C@@H](N1C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_102819103	249.309	PRPKUDLRDHISSS-AOOOYVTPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027459
C[C@@H]1C[C@H](O)CN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_334807529	249.309	UWCYLPUNNKHPIB-BDAKNGLRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027460
C[C@H]1C[C@@H](O)CN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_335099816	249.309	UWCYLPUNNKHPIB-DTWKUNHWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027461
C[C@H]1C[C@H](O)CN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_335099817	249.309	UWCYLPUNNKHPIB-IUCAKERBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027462
C[C@@H]1C[C@@H](O)CN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_335099818	249.309	UWCYLPUNNKHPIB-RKDXNWHRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027463
C[C@@H]1CCN([C@@H](C1)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102907866	249.309	TZQVNNZXERXFJY-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027464
C[C@@H]1OCC[C@@H]1NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319408591	249.309	NSOVBIQDTWUWAB-WPRPVWTQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027465
C[C@@H]1O[C@H](C)CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102269589	249.309	FHGCBZBCIKIWPT-DTORHVGOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027466
C[C@@H](C1CCCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_101499498	249.309	RAFIEDPDFPOLFG-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-027467
CCN(CC1CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959986	249.309	MTIJIATZANWISK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027468
CCOC1CC1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319864517,MCULE-1508068722	249.309	MLMGKTQYRRQPCX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027469
CCOC1CC(C1)C(=O)NC1CCn2c1ncc2	MCULE-2515750891,EMOLS-id_320125580	249.309	AXLCVSITIJGUJC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027470
CCO[C@@H]1C[C@@H](C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101527386	249.309	UTJUROHGKUAMNI-JGZJWPJOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027471
CCO[C@H]1C[C@@H](NC(=O)c2cnn3c2CCC3)C1	MCULE-3331429711,EMOLS-id_101527389,ZINC22_333783397	249.309	VWJYNHCTRYOHSB-AOOOYVTPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027472
CN1CCN(CC1)C(=O)c1cc2c([nH]1)CCC2O	PC-id_70937778,SCHEMBL13562314	249.309	UQVZNSLCYQYKOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027473
CN1CCN(CC1)C(=O)c1cc2c([nH]1)C(CC2)O	PC-id_70938068,SCHEMBL13563078	249.309	HVMBNVZDNAUSDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027474
Cn1nc2c(c1CNC(=O)[C@@H]1CCOC1)CCC2	PC-id_100759267,ZINC22_225818088	249.309	SPFCKHFZBGGFGT-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027475
Cn1nc2c(c1CNC(=O)[C@H]1CCOC1)CCC2	ZINC22_225818071,PC-id_100759262	249.309	SPFCKHFZBGGFGT-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-027476
Cn1nc2c(c1NC(=O)[C@@]1(C)CCCO1)CCC2	ZINC22_267981370	249.309	VRUKHPDCMLGGEO-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027477
Cn1nc2c(c1NC(=O)[C@]1(C)CCCO1)CCC2	ZINC22_267981374	249.309	VRUKHPDCMLGGEO-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027478
Cn1nc2c(c1NC(=O)COCC1CC1)CCC2	EMOLS-id_276262518,ZINC22_299282093,MCULE-2412268504	249.309	CDLJIFKIWLTGQJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027479
CN(Cc1n[nH]c2c1CCC2)C(=O)[C@@H]1CCCO1	PC-id_100042049,ZINC22_219490663	249.309	BGHPQUGXNPIVKU-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027480
CN(Cc1n[nH]c2c1CCC2)C(=O)[C@H]1CCCO1	ZINC22_219490729,PC-id_100042051	249.309	BGHPQUGXNPIVKU-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027481
CN(C(=O)c1n[nH]c2c1CCC2)C[C@H]1CCCO1	EMOLS-id_99592517	249.309	RONDTKZLMZFXBD-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027482
COC1CC(C1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319782946	249.309	QCANFVOCHJRMKY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027483
COC1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319757176	249.309	CAXJPMJZFDVKIW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027484
COC1CC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320043739,MCULE-5214864233	249.309	DQMYFQWYLOWASB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027485
COC(C(=O)Nc1n(C)nc2c1CCC2)C1CC1	EMOLS-id_101719986	249.309	WENPNDDMWMRJGU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027486
CO[C@@H]1CCC[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_101412190,MCULE-5388249121	249.309	VTKIQKTVGOBJDE-ZYHUDNBSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027487
CO[C@@H]1CCC[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101412187	249.309	YSTWNGXFVAWKHA-ZYHUDNBSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027488
COC(=O)C(c1nnc2n1CCC2)C1CCCC1	PC-id_112569552	249.309	MDFWUPNKSHHVNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027489
n12CCCc1nnc2CC1(CCCC1)CC(=O)O	PC-id_62874349,EMOLS-id_314576887,MCULE-7062815616	249.309	NHVIANMUFSBCHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027490
o1c2c(CCC2)c(C(=O)N2CCN(CC2)C)c1N	PC-id_83447117	249.309	YWBAYVNRMMUGEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027491
o1nc2c(CCC2)c1NC(=O)NC1CCCCC1	PC-id_58664473	249.309	WJFAPUPTBKXDMP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027492
OC1CC(C1)CCNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100793757	249.309	DGCNHSZPCFXZMO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027493
OC1CCCC1CNC(=O)c1n[nH]c2c1CCC2	PC-id_111471074	249.309	RLVGIEVHAKXXAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027494
OC1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102311404,MCULE-6237484163	249.309	UAUVZIBKIYLOCM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027495
OC1CCN(C1(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102523607	249.309	QZIGOTVKGQMTSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027496
OC1CCN(CC1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102388594	249.309	BZBWWFIBVVEYCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027497
OC1CN(C(C1)(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_319109701	249.309	WKLODIMFIHUWJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027498
CCCCCCCCn1cc2c(c1)OC(=CC)O2	PC-id_141071735	249.349	LTVFPPKUVNTZGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027635
OC1CN(C(C1)(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_318911711	249.309	PIRFHRAOLHDWLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027499
OC1CN(CC1(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102740037	249.309	VCAIRDOUTDFUCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027500
OC1CN(C(C1)(C)C)C(=O)c1n[nH]c2c1CCC2	MCULE-2479919788,EMOLS-id_320191230	249.309	FISBFMFEHSHDJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027501
OC(C1CC1)CN(C(=O)c1n[nH]c2c1CCC2)C	PC-id_112118061	249.309	YHCXGDZLFNUCKH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027502
O=C(c1cc2n(n1)CCO2)N1CCC(CC1)(C)C	EMOLS-id_102522731	249.309	LRSWVBQMULNRBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027503
OC(C1CCC1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101497182	249.309	BISYGXJUSOXOIT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027504
OCC1(CCC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319557521	249.309	YMRKPTSXLXCLEP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027505
OCC1(CCC1)C(=O)NCc1cc2n(n1)CCC2	EMOLS-id_319457052	249.309	RHJZAZZQDGFQPK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027506
OCC1(CCC1)C(=O)NCc1cnc2n1CCC2	MCULE-2825306760,EMOLS-id_320266951	249.309	ATWBMKQUNPIMRN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027507
OCC1(CCCC1)NC(=O)c1n[nH]c2c1CCC2	PC-id_110008634	249.309	QETJULAVUOKKEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027508
O=C(C1CCCCO1)Nc1n(C)nc2c1CCC2	EMOLS-id_100936899	249.309	MLBKXGJYWKQRBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027509
O=C(C1CCCCO1)NCc1cnc2n1CCC2	EMOLS-id_319305441	249.309	WKMITCFSMDKEPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027510
O=C(C1(C)CCCO1)NCc1cnc2n1CCC2	EMOLS-id_319417648	249.309	GWAXVVPHXDTNRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027511
O=C(C1CCCCO1)NCc1n[nH]c2c1CCC2	MCULE-1305029230,EMOLS-id_320064372	249.309	HHQCGJKUURMWPN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027512
OCC1(C)CCN1C(=O)c1n(C)nc2c1CCC2	EMOLS-id_320115678,MCULE-7206767991	249.309	QIHWDMHBPYXYOK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027513
O=C(C1CCOC1C)Nc1n(C)nc2c1CCC2	EMOLS-id_98642903	249.309	FWOHVOZIKXNLHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027514
O=C(C1(C)COCC1)NCc1cnc2n1CCC2	EMOLS-id_318939727	249.309	KYCHDIBBRNPVKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027515
O=C(C1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319428434	249.309	NIBMEPFGDVJMTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027516
O=C(c1cnn2c1CCC2)NC1(C)CCCOC1	EMOLS-id_101336794	249.309	AAJSWZNDQNJHLJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027517
O=C(c1cnn2c1CCC2)NCC1(C)COCC1	EMOLS-id_101225468	249.309	HTEPXKOEEVUNPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027518
O=C(c1nn2c(c1)CCC2)NC1(C)CCCOC1	EMOLS-id_101338027	249.309	AJMROIMLJLTZOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027519
O=C(c1nn2c(c1)CCC2)NCC1(C)COCC1	MCULE-4862939050,EMOLS-id_101225462	249.309	LZEPAKRTUBIZPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027520
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)(C)C	EMOLS-id_102505063	249.309	ZIGPDTWEJPMXFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027521
O=C(c1nn2c(c1)OCC2)NC1CCC(C1)(C)C	EMOLS-id_99567730	249.309	WKXMIYYDQBOOFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027522
O=C(c1nn2c(c1)OCC2)NC(C1CCC1)(C)C	EMOLS-id_101560743	249.309	OQOJTKXPWJYIRT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027523
O=C(c1n[nH]c2c1CCC2)N1CC(C1)C(O)(C)C	EMOLS-id_111882352	249.309	PXEWAINIVGJNPF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027524
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)(C)O	EMOLS-id_102392291	249.309	MRZXZQFWORAQEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027525
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)(C)O	EMOLS-id_102679817	249.309	MFEAIXTUUQQQPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027526
O=C(c1n[nH]c2c1CCC2)N1CCOC(C1)(C)C	EMOLS-id_102303056	249.309	ZDYBOSWKBBLMFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027527
O=C(c1n[nH]c2c1CCC2)NC1(C)CCCOC1	EMOLS-id_98692490	249.309	YHPGDROYMAYFEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027528
O=C(c1n[nH]c2c1CCC2)NCC1(O)CCCC1	PC-id_111333153	249.309	NQQSNYGVNXJLAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027529
O=C(c1n[nH]c2c1CCC2)NCC(C1CC1)(O)C	EMOLS-id_101010292	249.309	FYXSHLFLISHGCZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027530
O=C(C1(O)CC(C1)(C)C)NC1CCn2c1cnc2	EMOLS-id_319722533	249.309	AETYACRPFTZYOP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027531
O=C(C(C1CCC1)O)NCc1cnc2n1CCC2	EMOLS-id_319007765	249.309	FIOHFNIEUGBVID-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027532
O=C(C(C1CCC1)O)NCc1n[nH]c2c1CCC2	EMOLS-id_318781521	249.309	JUUKIQCNYQMGEA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027533
O=C(CC1CCCO1)NCc1cnc2n1CCC2	EMOLS-id_319944102,MCULE-7916712742	249.309	MXAKRNDGYLDKBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027534
O=C(CC1COCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318784866	249.309	GXMGUWWXPFHRJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027535
OCCC(C1CC1)NC(=O)c1n[nH]c2c1CCC2	PC-id_112338240	249.309	IDLKFQUOBKUDTE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027536
O[C@@H]1CCC[C@H]1CC(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319254131	249.309	AVTSEYLPJVLLDI-JOYOIKCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027537
O[C@@H]1CCCN([C@@H]1C)C(=O)c1cnn2c1CCC2	EMOLS-id_319103080	249.309	XYKVIBXBYIYITD-BXKDBHETSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027538
O=C(N1CCn2c1ccn2)CC1CC(C1(C)C)O	EMOLS-id_319953069,MCULE-4614817184	249.309	SDYREZKBAQBQNW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027539
O=C(N1CCn2c1ncc2)CC1CC(C1(C)C)O	EMOLS-id_319962831,MCULE-9446383286	249.309	OAYXEMRCEASLTL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027540
O=C(N1CCn2c1ncc2)CC1(O)CCCCC1	EMOLS-id_316583887,MCULE-6465285260	249.309	UMGHYCIQWYPXIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027541
O=C(N1CCOCC1(C)C)c1cn2c(n1)CCC2	EMOLS-id_102942418	249.309	NGKBZSFJKORVPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027542
O=C(NC1CCn2c1cnc2)C[C@@H]1CCC[C@H]1O	EMOLS-id_319396558	249.309	HWCNQYLLJQXJHP-VXFCFVAISA-N	00000010100000000001000010000000000000000000000000000000	25-01-027543
O=C(NC1CCn2c1ncc2)C[C@@H]1CCC[C@H]1O	MCULE-4683575039,EMOLS-id_320207173	249.309	CMKMHSAROCIRRC-KHUXNXPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027544
O=C(Nc1n(C)nc2c1CCC2)CC(C1CC1)O	EMOLS-id_318831764	249.309	RXSYOXQVCFHALO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027545
OC(=O)C1(CCCCC1)Cc1n2CCCc2nn1	EMOLS-id_314576631,PC-id_62874179	249.309	CWCYRJBIDLKSIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027546
n1(ncc2c1C(=Cc1ccccc1)CC2)CCC#N	PC-id_3405674	249.31	QJMJGFCRSBZUPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027547
n1(ncc2c1/C(=C/c1ccccc1)/CC2)CCC#N	PC-id_5816844	249.31	QJMJGFCRSBZUPJ-SDNWHVSQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027548
c1(C(C)NC(=O)CNC2CC2)nnc2CCCn12	MCULE-1849665011,PC-id_60842334	249.312	WSXMZYBVFMHRGV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027549
Cc1ccsc1/C=c
/sc2n(c1=O)ncn2	SCHEMBL645575	249.312	FZXGDHIJMAVCSO-XBXARRHUSA-N	00000000100100000001000010000000000000000000000000000000	25-01-027550
Cc1ccsc1C=c1sc2ncnn2c1=O	MCULE-6246653506,ZINC22_254700856,BindingDB-id_77474,BindingDB_PC-id_3246790,SCHEMBL645576	249.312	FZXGDHIJMAVCSO-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-027551
Cc1ccsc1/C=c/1sc2ncnn2c1=O	ZINC22_12341298,EMOLS-id_3540184,SCHEMBL645574	249.312	FZXGDHIJMAVCSO-YWEYNIOJSA-N	00000000100100000001000010000000000000000000000000000000	25-01-027552
Cc1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324843235	249.312	UYPOHUMZFWAULQ-YWEYNIOJSA-N	00000000100100000001000010000000000000000000000000000000	25-01-027553
Cc1nn2c(=O)/c(=Cc3cccs3)/sc2n1	PC-id_137320074	249.312	JZIVVJDERRRKQM-VMPITWQZSA-N	00000000100100000001000010000000000000000000000000000000	25-01-027554
Cc1nnc2s/c(=Cc3cccs3)/c(=O)n12	ZINC22_12668785	249.312	KHKXVPDBJIRDRV-YVMONPNESA-N	00000000100100000001000010000000000000000000000000000000	25-01-027555
CCc1n[nH]c2c1CN(C2)C(=O)N1CCNCC1	SCHEMBL19413326	249.312	HBXMQDOAWDQWCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027556
C=CCC(C(=O)N(Cc1nnc2n1CCC2)C)N	EMOLS-id_314938088,PC-id_81775143	249.312	DBSAQQRDOWDTDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027557
CC[C@@H]1NCC[C@H]1NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320171146,MCULE-6508289816	249.312	ZZHJFYDQULRQHU-VUHGHZMFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027558
CC[C@H](N1CC(c2c1[nH]nc2N)C#CCN)OC	SCHEMBL21308030	249.312	WQFKMWHEZASSQL-YGPZHTELSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027559
CCC(N1CC(c2c1n[nH]c2N)C#CCN)OC	PC-id_139445171	249.312	WQFKMWHEZASSQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027560
C=CCNCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_79279422,EMOLS-id_315403857	249.312	UFWKGNAPMRMXIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027561
C=CCNCC(=O)NC(c1nnc2n1CCC2)C	PC-id_79284999,EMOLS-id_314916749	249.312	RILGBYZTNLKSMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027562
C[C@@H]1NCCC[C@@H]1NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320055788,MCULE-5972041293	249.312	FHKMJKOEQAAMIR-ITAJPAFDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027563
CCN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_320153608,MCULE-9754899335	249.312	LTKPCQKWBGCXTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027564
CN1CCC[C@@H]1C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_278436443	249.312	DLTROZGNIQHLOX-UDNWOFFPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027565
CN1CCCN(CC1)C(=O)C1NCc2c1c[nH]n2	MCULE-9665274746,EMOLS-id_319989594	249.312	HWUPIQHIUMAPIO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027566
CNC1CCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_320191960,MCULE-2255667962	249.312	HRTZXVVJCUGYFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027567
CN(C1CCN(C1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318862914	249.312	NICTUCNDPXADHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027568
CN(C(=O)C1(N)CCC1)Cc1nnc2n1CCC2	PC-id_81171748,EMOLS-id_315613786	249.312	AJGJNWUFBXFELU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027569
CN(C(=O)[C@H]1CCCN1)Cc1nnc2n1CCC2	PC-id_93373684	249.312	TXKALIHXLCNUOK-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027570
n12CCCc1nnc2CCNC(=O)C1CCCN1	MCULE-3022432058,PC-id_83626501	249.312	FZLKQRSLRRBLTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027571
n12nc(nc1sc(=Cc1ccsc1)c2=O)C	MCULE-8172179758	249.312	UYPOHUMZFWAULQ-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-027572
NCC1(CC1)C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_314732237,PC-id_113312864	249.312	OGGXOGRXTJFQOL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027573
NCC1(CC1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_113312742	249.312	KGLSGJGNCODILI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027574
O=C1N(CCN2CCNCC2)Cc2n1c(C)nc2	SCHEMBL3448071,PC-id_23138420	249.312	TVCNUAPMJWAYFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027575
O=C(C1NCc2c1c[nH]n2)N1CC(C(C1)(C)C)N	EMOLS-id_320250324,MCULE-9952289249	249.312	BQQNNNHBBSVDGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027576
O=C(C1NCc2c1c[nH]n2)N1CCNC(C1)(C)C	EMOLS-id_320299816,MCULE-2074955845	249.312	WYCNYGZCTGGPAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027577
O=C(C1NCc2c1c[nH]n2)NCC1CCCCN1	EMOLS-id_318947100	249.312	BHINEXCZZOEBQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027578
O=C(C1NCc2c1c[nH]n2)NCC1(N)CCCC1	EMOLS-id_319718641	249.312	CYNHAURCVJGEEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027579
O=C(C1NCc2c1c[nH]n2)NCCN1CCCC1	EMOLS-id_318850705	249.312	GGKQLDBYMDSKKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027580
O=C([C@H]1CCCN1)NC(c1nnc2n1CCC2)C	PC-id_113267363	249.312	QWDQRHAHOALQDH-YGPZHTELSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027581
O=C(N(Cc1n2CCCc2nn1)C)C1CCNC1	PC-id_55150982	249.312	YBYSIUOQCOYMED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027582
O=C(NC(c1n2CCCc2nn1)C)C1CCNC1	PC-id_63007072	249.312	KBFVULVLQWRLOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027583
O=C(NC(c1n2CCCc2nn1)C)C1NCCC1	PC-id_43698107	249.312	QWDQRHAHOALQDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027584
O=C(N(Cc1n2CCCc2nn1)C)C1NCCC1	PC-id_54872914	249.312	TXKALIHXLCNUOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027585
O=C(NC(c1n2CCCc2nn1)C)C1(N)CCC1	PC-id_81179366	249.312	IGWLQBGRUBMJGN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027586
O=C(N(Cc1n2CCCc2nn1)C)CC1CNC1	PC-id_64612005,EMOLS-id_314596022	249.312	RAXPUSDRXITDHE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027587
O=C(NC(c1n2CCCc2nn1)C)CC1CNC1	PC-id_64616773	249.312	UVAUCDQJLQKOJG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027588
CC1=Nc2c([Te]1)ccs2	PC-id_139630318	250.776	OTYIZZPDMPWZGR-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-028186
O=C(NC(c1n2CCCc2nn1)C)[C@H]1NCCC1	PC-id_61154954	249.312	QWDQRHAHOALQDH-GKAPJAKFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027589
O=C(N(Cc1n2CCCc2nn1)C)[C@H]1NCCC1	PC-id_61163408	249.312	TXKALIHXLCNUOK-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-027590
O=C(N(Cc1n2CCCc2nn1)C)CNC1CC1	EMOLS-id_314087814,PC-id_54872784	249.312	HBAQBTOFRTWISV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027591
O=C(NC(c1n2CCCc2nn1)C)C(N)CC=C	PC-id_81773693	249.312	XNOMZHOPUIUYLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027592
S1C(C(=O)n2c1nnc2)C=Cc1sccc1	PC-id_18891891	249.312	IYIUSOYQMGSIDE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-027593
CCn1c(nc2c1CNC2)/C(=N/N=NC(C)C)/N	PC-id_144979614	249.315	ZLEWXZXUBXBKEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027594
CN(/N=C(/c1nc2c(n1CC(=C)C)CNC2)N)N	PC-id_144979441	249.315	BDVOVIVISVWKMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027595
O=C1CCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_81723503,EMOLS-id_315664175	249.329	FOUZMCRPZZTLRA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027596
O=C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37232640,PC-id_24695120	249.329	OBVFDMRHKPANQD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027597
c1(NC(=O)C=CC=CC)n(C)nc2CSCc12	MCULE-6733864057	249.332	XAGAQLIAPJVFMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027598
Cc1nnc(o1)CNCc1sc2c(c1)CCC2	PC-id_114015332	249.332	AQJMLSDWQDGQPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027599
Cc1nonc1CNCc1sc2c(c1)CCC2	EMOLS-id_40240971,PC-id_64061840	249.332	PYDBIJPIJMSCBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027600
Cc1onc(n1)CNCc1sc2c(c1)CCC2	PC-id_107911459	249.332	KZWZWXLJYKVPAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027601
CC(=C1CNC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314514947,PC-id_116677452	249.332	IFUBRUKJOWJHPO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027602
C/C=C/C=C/C(=O)Nc1c2CSCc2nn1C	EMOLS-id_334566320	249.332	XAGAQLIAPJVFMA-VNKDHWASSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027603
CCCC(C(=O)Nc1sc2c(n1)CCC2)C#N	PC-id_61875806,EMOLS-id_314152815	249.332	FZSGWMSUSVSBMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027604
CCC(C(=O)Nc1sc2c(c1C#N)CCC2)N	EMOLS-id_38166107,PC-id_61260031	249.332	PHBKMQWBQHTSOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027605
CCC(C(=O)Nc1sc2c(n1)CCC2)(C#N)C	PC-id_114291276,EMOLS-id_315646787	249.332	WQAVVZCBYVCPBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027606
CC[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N	EMOLS-id_41493909,PC-id_65808043	249.332	PHBKMQWBQHTSOC-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027607
CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N	EMOLS-id_41493911,PC-id_79022840	249.332	PHBKMQWBQHTSOC-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-027608
CCNCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_37204303,PC-id_60641365	249.332	GEEOAFRMQXANCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027609
Cn1nnc(c1)CC(c1sc2c(c1)CCC2)O	PC-id_107065661	249.332	UVVOSURBSYWFQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027610
CNCCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_61713897,EMOLS-id_38528402	249.332	DDMIASGTYGAECZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027611
CN(C)CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328148693,MCULE-1360987325	249.332	UBUCMMWIIZGSPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027612
CNC(C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_37357247,PC-id_55023305	249.332	CUMQWOLPLVBLRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027613
COCc1n[nH]c2c1CN(Cc1cccs1)C2	PC-id_97520287,EMOLS-id_44371960,ZINC22_96260209	249.332	HZJJSUKQYSJBPA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-027614
N#Cc1c(NC(=O)CC(N)C)sc2c1CCC2	PC-id_61260212,EMOLS-id_38166109	249.332	FLWYFKGDLLAVEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027615
N#Cc1c(sc2c1CCC2)NC(=O)C(N)(C)C	PC-id_61266644,EMOLS-id_38179040	249.332	QXHVPTWMBWEUQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027616
NCCCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_38166103,PC-id_61259309	249.332	MBHCTSKSIBNEPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027617
NCC(C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_39272011,PC-id_62671127	249.332	JRBUSNKGEDSUSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027618
N#CC(C(=O)Nc1sc2c(n1)CCC2)C(C)C	PC-id_61876003,EMOLS-id_314153071	249.332	VRQBWHOVEBFDGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027619
N#CCNC(=O)CNCc1sc2c(c1)CCC2	PC-id_61207984,EMOLS-id_38138731	249.332	SHGJHOSWUQRYSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027620
OC(c1sc2c(c1)CCC2)Cc1ncnn1C	PC-id_115812548	249.332	MICFHLYARUCURI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027621
s1c2CCCc2nc1NC(=O)C1CC(N)C=C1	PC-id_79207320	249.332	VCZFJJBOCQYZFN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027622
S(C1=C(C(=N)n2c1cc(c2C)C)C(=O)N)CC	PC-id_71377492	249.332	AGJKTMDRDZHDDV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-027623
c1(C(C)NCc2cscn2)nnc2CCCn12	PC-id_61171606,MCULE-4656899813	249.335	SPMADXLNRWFRHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027624
Cc1nc(NCc2nc3c(s2)CCC3)n(C)n1	EMOLS-id_49946974,MCULE-9009559871,ZINC22_162463124,PC-id_86795170	249.335	GRVNHVBHVWIJJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027625
CCc1nc(=NCc2cc3n(n2)CCC3)s[nH]1	ZINC22_585092622,EMOLS-id_177295784,MCULE-5525990144	249.335	HGALFOODACMZGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027626
Cn1nnc(n1)CC(c1sc2c(c1)CCC2)N	PC-id_113912309	249.335	IAFVSOZWDXBGFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027627
Cn1nnc(n1)CNCc1sc2c(c1)CCC2	PC-id_107042230	249.335	RYNPTDWITIHATI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027628
Nc1scc(n1)CCCc1nnc2n1CCC2	EMOLS-id_315530552,PC-id_80655866	249.335	HATUIYKYJDAGAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027629
NNC(c1cnnn1C)c1sc2c(c1)CCC2	PC-id_105337564	249.335	KDYZKUUFPJFYSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027630
s1c(CNC(c2n3CCCc3nn2)C)cnc1	PC-id_62759829	249.335	RQIRZFYHQFMUCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027631
s1c(ncc1)CNC(c1n2CCCc2nn1)C	PC-id_63001887	249.335	IHTCSSKSUNMNDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027632
CC1Cc2c(n(c(c2C1)O)CC1CCCCC1)O	PC-id_91035116	249.349	STSGGDFTAIJYEE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027633
CCCCc1cn2c(c1)C(CC2)C(=O)OC(C)C	SCHEMBL10814913,PC-id_20253946	249.349	ONFLSMIVFLWNDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027634
o1c2c(c(CNC3CCCC3)c1COC)CCC2	PC-id_83610058	249.349	FPONYNMVRYOJSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027636
CC(=C)C1CCn2c1ccc2C(=C)c1ccccc1	SCHEMBL20328032,PC-id_135177498	249.35	AFMCDVHYSFCKMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027637
c1(C(=O)N)c2C(C)CCc2n(CC(CC)CC)n1	EMOLS-id_331041027,MCULE-8066617355	249.352	KEYUNQHMIDJLBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027638
c1(C(=O)N)c2C(C)CCc2n(CCC(C)(C)C)n1	MCULE-4440509263,EMOLS-id_331040003	249.352	HZIQNQDHWBWFIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027639
c1(C(=O)N)c2C(C)CCc2n(C(C)C(C)(C)C)n1	MCULE-5106751799,EMOLS-id_331042563	249.352	HAODQNWNQTUBQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027640
c1(C(=O)N)c2C(C)CCc2nn1C(C)C(C)(C)C	EMOLS-id_330960066,MCULE-4599715804	249.352	UUTNRLXEODJUCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027641
c1(C(=O)N)c2C(C)CCc2nn1CCC(C)(C)C	MCULE-2035907851,EMOLS-id_330957762	249.352	IOPFMNAIEXVJKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027642
c1(C(=O)N)c2C(C)CCc2nn1CC(CC)CC	MCULE-6552705342,EMOLS-id_330958786	249.352	HERARGIPJZDFHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027643
c1(C(=O)N(CCC)CCC)c2CCCc2n(C)n1	EMOLS-id_179745241,PC-id_110389059,MCULE-2300444467	249.352	MRGVSHMCDMHZBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027644
CC1CC(c2n1ccn2)NCC1(O)CCCCC1	EMOLS-id_98849512	249.352	NCITVRAVPGGRFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027645
CC1OCc2c1nc([nH]2)C(C1CCCCC1)(N)C	PC-id_102970364	249.352	SFJSCIVGZQIPGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027646
CC(C1CCCOC1)n1nc2CCC(C)c2c1N	MCULE-6286540302,EMOLS-id_331012267	249.352	WDHVXUJMPVCGNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027647
CC(C1CCOC1)n1nc2CCC(C)c2c1CN	EMOLS-id_330999473,MCULE-2740403026	249.352	JZYFSIHZNMBETJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027648
CC(C1CCOCC1)n1nc2CCC(C)c2c1N	EMOLS-id_331011755,MCULE-2085079498	249.352	UYJPHEIYSYPTBO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027649
CC(C(C(=O)NCc1cnc2n1CCC2)(C)C)C	EMOLS-id_319272148	249.352	ZYFZEDOGBYQLNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027650
CCC(C(=O)NCc1cnc2n1CCC2)(CC)C	MCULE-5089310393,EMOLS-id_319897816	249.352	OPUJEPAYTRLTFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027651
CCC(C(=O)NCc1n[nH]c2c1CCC2)(CC)C	EMOLS-id_319371937	249.352	OOYJXTTZQQPILP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027652
CC(C(C(=O)NCc1n[nH]c2c1CCC2)(C)C)C	EMOLS-id_319864124	249.352	HUJGGPGEKBGTIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027653
C[C@H]1COC(C)(C)CN1Cc1cnc2n1CCC2	EMOLS-id_313137486,ZINC22_668058304,MCULE-6330372881	249.352	MFYTVSBRIRBGTB-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-027654
C[C@H](NC[C@@H]1CCC[C@H]1O)c1cc2n(n1)CCC2	ZINC22_333952226	249.352	ZTHIGPDZWOAJOT-COPLHBTASA-N	00000010100000000001000010000000000000000000000000000000	25-01-027655
C[C@@H](NC[C@@H]1CCC[C@H]1O)c1cc2n(n1)CCC2	ZINC22_333952227	249.352	ZTHIGPDZWOAJOT-UHIISALHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027656
C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1cc2n(n1)CCC2	ZINC22_333935722	249.352	JUGXRVGOVFEFRK-BIMULSAOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027657
C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1cc2n(n1)CCC2	ZINC22_333935723	249.352	JUGXRVGOVFEFRK-TVYUQYBPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027658
C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1cc2n(n1)CCC2	ZINC22_333935724	249.352	JUGXRVGOVFEFRK-XDTLVQLUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027659
C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1cc2n(n1)CCC2	ZINC22_333935725	249.352	JUGXRVGOVFEFRK-ZWKOPEQDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027660
CC(N1C(=O)c2c(C1C(C)C)c(n[nH]2)C(C)C)C	PC-id_58045059,SCHEMBL10118293	249.352	PEOCNMFJMHIQDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027661
Nc1sc2c(c1C(=O)c1cccs1)CCC2	PC-id_9899694,SCHEMBL134495	249.352	FOPLAPZHPXBYSP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027662
Nc1sc2c(c1C(=O)c1cscc1)CCC2	PC-id_9921248,SCHEMBL5678900	249.352	JXCTWFUAXMONRW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027663
OC1CC(C1(C)C)NC(c1nn2c(c1)CCC2)C	EMOLS-id_101845408,MCULE-4425138456	249.352	JUGXRVGOVFEFRK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027664
OC1CCCCC1(C)CNC1CCn2c1ncc2	EMOLS-id_101411596	249.352	SOEKZBZRSMVYME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027665
OC1(CCCCCC1)CNC1CCn2c1ncc2	EMOLS-id_98847264	249.352	GKVCNPYZZFUROY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027666
O=C1Nc2n(C1C(C)C)c(nc2C(C)C)C(C)C	PC-id_85783760	249.352	MTNQQWDDWUCJSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027667
OC(C1CCCCC1)CNC1CCn2c1ncc2	EMOLS-id_101405056	249.352	ZYEKBJLDQYXOBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027668
O=C(c1sc2c(c1)CCC2)Cc1nccs1	PC-id_115586895	249.352	KLUASWPTGMFCPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027669
O=C(c1sc2c(c1)CCC2)Cc1scnc1	PC-id_115796127	249.352	QLTUNMYIALGMRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027670
OCC(C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101195833	249.352	FPYHUPZXSZYWES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027671
O[C@H]1CCCC[C@@H]1CNC1CC(n2c1ncc2)C	EMOLS-id_101358577	249.352	WZOYEJGEBVSORS-KPFVRQRISA-N	00000010100010000001000010000000000000000000000000000000	25-01-027672
O[C@@H]1CCCC[C@H]1CNC1CC(n2c1ncc2)C	EMOLS-id_101359762	249.352	WZOYEJGEBVSORS-PYNQCMFNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027673
O[C@@H]1CCC[C@H]1CNC(c1nn2c(c1)CCC2)C	MCULE-2097196869,EMOLS-id_101848255	249.352	ZTHIGPDZWOAJOT-SAQKRVJRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027674
O[C@@H]1CCC[C@H]1N(Cc1n(C)nc2c1CCC2)C	EMOLS-id_319504565	249.352	ZJXGWCBNLXLHSR-TZMCWYRMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027675
c1(C(C)NC2CCN(CC2)C)nnc2CCCn12	PC-id_43748068,MCULE-6242699055	249.355	HRRLSOSBEZACTM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027676
CC(c1nnc2n1CCC2)NC1CCNCCC1	PC-id_103981490	249.355	JHQKBCXIDNILAE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-027677
CC(c1nnc2n1CCC2)NCC1CCCCN1	PC-id_113858205	249.355	NDNVWNXOFZUGJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027678
n12c(nnc1CCC2)C(NCC1CCCNC1)C	PC-id_80554277	249.355	IJXGVQOVOVPGHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027679
n12c(nnc1CCC2)C(NCC1CCNCC1)C	PC-id_79707135	249.355	MTYQBWKGVOZSIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027680
N1(C(CC(NC(c2n3CCCc3nn2)C)C1)C)C	PC-id_81465845	249.355	PSUDBXIPKPBTHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027681
N(C1C(CCC1)CN)C(c1n2CCCc2nn1)C	PC-id_65835317	249.355	WMDCIPNKVMMFNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027682
N(C1CCCN(C1)C)C(c1n2CCCc2nn1)C	PC-id_81713282	249.355	XMFYNIQTYFYAGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027683
N(C1CCC(N)CC1)C(c1n2CCCc2nn1)C	PC-id_79731356	249.355	GRKSKZJIWQXBNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027684
N(C1CC(N)CCC1)C(c1n2CCCc2nn1)C	PC-id_79459250	249.355	JWODOBQDGKNZJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027685
s1nc2N(CCn2c1=S)Cc1ccccc1	CT-id_4022448,4022443_OpenMolecule,CT-id_4022443,NSC725858,4022448_OpenMolecule,PC-id_11747031	249.355	JZCMORGUKDIRPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027686
CC1CCC(C1)NC(=O)c1sc2c(c1)CCC2	PC-id_113599722	249.372	KCSUEIJKBOSBNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027687
C=CC(=O)N(Cc1cc2c(s1)CCC2)C(C)C	ZINC22_1875365980	249.372	GDZPGEXASJEAJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027688
C[C@@H](C1CC1)N(C)C(=O)c1cc2c(s1)CCC2	CoCoCo_4661568,ZINC22_32907055	249.372	VALSAOGRLRPPTO-VIFPVBQESA-N	00100010100000000000000010000000000000000000000000000000	25-01-027689
C[C@H](C1CC1)N(C)C(=O)c1cc2c(s1)CCC2	ZINC22_32907056,CoCoCo_4661569	249.372	VALSAOGRLRPPTO-SECBINFHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-027690
CCNC(c1sc2c(c1)CCC2)C1=CCCO1	PC-id_102652985	249.372	UIYLFUGTMOAEMP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-027691
CC(N(C(=O)c1sc2c(c1)CCC2)C)C1CC1	MCULE-5485056716,PC-id_42942400,EMOLS-id_45745667	249.372	VALSAOGRLRPPTO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-027692
CNC(c1sc2c(c1)CCC2)C1=CCCCO1	PC-id_102649045	249.372	NSMHJJIUZXHRGB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-027693
CNC(c1sc2c(c1)CCC2)C1=COCCC1	PC-id_105033026	249.372	XRNBXVSCPZOYQE-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-027694
O=C1N=Cc2c1c(sc2C(C)(C)C)C(C)(C)C	PC-id_145552810	249.372	YGTDRFJLKQCOQI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-027695
O=C(c1sc2c(c1)CCC2)NC1CCCCC1	PC-id_9041275,EMOLS-id_314429168	249.372	XMIRKLSFRJWBGU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027696
s1c2c(CCC2)cc1CNCC1OC=CCC1	PC-id_62064935	249.372	JEDXRYWLNXVIDZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-027697
s1c2c(CCC2)cc1C(=O)N1CCCCCC1	PC-id_60644327	249.372	NRKTWVVSMKJBTR-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-027698
c12CS(=O)(=O)Cc1sc(=S)n2C(C)C	ZINC22_520237,MCULE-9471685148,PC-id_929550,EMOLS-id_9397287,TIMTEC470492,CoCoCo_6015386	249.373	UALBPWKUNFMNNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027699
O=S1NS(=O)c2c1c(sc2C)C(C)C	SCHEMBL17130523,PC-id_118409211	249.373	BGCNHESBLWCHLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027700
s1c2c(CCC2)cc1/C(=N/C1CCCC1)/NN	PC-id_61362335	249.375	NTAOZXYWURULKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027701
CNn1c(=S)n(c2c1SN(S2)C)NC	PC-id_143723600	249.38	BXYGBHDSQQHDEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027702
o1c(c(c2c1CCC2)CNCC(C)C)C(C)(C)C	PC-id_83610497	249.392	UPTFIPWJVBUOIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027703
o1c(c(c2c1CCC2)CNC(CC)C)C(C)(C)C	PC-id_83610498	249.392	RHDAJXKYTZEPSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027704
o1c(C(C)(C)C)c(c2c1CCC2)CNCCCC	PC-id_83610496	249.392	HOALENRBYIDVDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027705
c1(C(N)c2ccc(C)s2)cc2c(CCC2)s1	PC-id_43464261,MCULE-7963709298	249.395	QKFQYFXMRYLRKX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027706
Cc1sccc1C(c1sc2c(c1)CCC2)N	PC-id_102841779	249.395	MQSJELQYCHSHTL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027707
Cc1scc(c1)C(c1sc2c(c1)CCC2)N	PC-id_104991195	249.395	KDRGKSREMMMUSW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027708
CCCCCCCC(C)N1Cc2c(C1)n(nc2)C	PC-id_134257619,SCHEMBL19868620	249.395	GTFDSKFIMPAVEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027709
CC(N1C(C(C)C)c2c(C1C(C)(C)C)[nH]cn2)C	SCHEMBL18926033	249.395	WGBXLPFQUGZSBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027710
CNC(c1sc2c(c1)CCC2)c1ccsc1	PC-id_104988236	249.395	ZEDJQMITYRLVMQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027711
s1c2c(CCC2)cc1C(N)c1sccc1C	PC-id_61603848	249.395	BWCPMLHAAYOFMQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027712
s1c2c(CCC2)cc1CNCc1ccsc1	EMOLS-id_38138517,PC-id_61209315	249.395	SPRAEHIQKSGYKO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027713
s1c2c(CCC2)cc1C(N)Cc1ccsc1	PC-id_61078468	249.395	BXDWYFWLBLXFNZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027714
s1c2c(CCC2)cc1C(NC)c1sccc1	PC-id_43483388	249.395	RUHANNAHDNJZPX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027715
s1c2c(CCC2)cc1C(N)Cc1sccc1	PC-id_61079970	249.395	YYRQRGBLCHQAPB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027716
s1c(CNCc2cccs2)cc2CCCc12	EMOLS-id_37994044,MCULE-6818074584,PC-id_60984037	249.395	MABWQIMJRWRUEH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-027717
C1CCC(CC1)CNCc1sc2c(c1)CCC2	PC-id_61209317,EMOLS-id_38138521	249.415	YWNPVXGKYBETMU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027718
C1CCCC(CC1)NCc1sc2c(c1)CCC2	EMOLS-id_37993860,PC-id_54883951	249.415	DDQAQJKXHMXARA-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-027719
CC1CCC(CC1)C(c1sc2c(c1)CCC2)N	PC-id_104987961	249.415	GHBGLYGOWLJXOY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027720
CC1CCCC(C1)C(c1sc2c(c1)CCC2)N	PC-id_104991931	249.415	LXKFCJOTVCPNBW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027721
CC1CCC(CC1)NCc1sc2c(c1)CCC2	PC-id_61207577,EMOLS-id_38138501	249.415	IRMFIOAYBPFIEG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027722
CC(C1CC(C1)NCc1sc2c(c1)CCC2)C	PC-id_103561761	249.415	DRPGMFKWSCWWFA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-027723
CCC1CCCC1NCc1sc2c(c1)CCC2	PC-id_116175559	249.415	DJJKRXKHWBCQMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027724
CC(CC1CCC1)NCc1sc2c(c1)CCC2	PC-id_116222433	249.415	PUASVWUMYDZTPX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-027725
C=CCCCC(c1sc2c(c1)CCC2)NCC	PC-id_104987147	249.415	DVLFKTULNAWZJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027726
C=CCCCCCC(c1sc2c(c1)CCC2)N	PC-id_107011935	249.415	QOMXHOOZPOUNAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027727
C=CCCCCCNCc1sc2c(c1)CCC2	PC-id_107006655	249.415	HNMXXDYKQHVJJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027728
CCCNC(c1sc2c(c1)CCC2)C1CCC1	PC-id_113674591	249.415	NHDTZRKPQLPFMJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-027729
CCCNC(c1sc2c(c1)CCC2)CC1CC1	PC-id_104986375	249.415	SOXOHFZBYNGLRT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-027730
CCCNC(c1sc2c(c1)CCC2)C=C(C)C	PC-id_105004569	249.415	YUAHZJMQWKIKSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027731
CCCNC(c1sc2c(c1)CCC2)CCC=C	PC-id_113668667	249.415	NCWKUDFBCALXCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027732
CCCNC(c1sc2c(c1)CCC2)CC(=C)C	PC-id_113670129	249.415	VMKCJEMPCQMKJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027733
CCNC(c1sc2c(c1)CCC2)C1CCCC1	PC-id_115779124	249.415	QPDLVVALTUBIGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027734
CCNC(c1sc2c(c1)CCC2)CC1CCC1	PC-id_115863872	249.415	VTHFCZXIVQUVSY-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-027735
CCNC(c1sc2c(c1)CCC2)CCC1CC1	PC-id_113669507	249.415	LKEFFLQADCFDSB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-027736
CCNC(c1sc2c(c1)CCC2)CCC(=C)C	PC-id_105039762	249.415	PJDVSOSDJJLYLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027737
CCNC(c1sc2c(c1)CCC2)CC(=C)CC	PC-id_113670375	249.415	FRSVYGKJOVOVOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027738
CNC(c1sc2c(c1)CCC2)C1CCCCC1	PC-id_114980768	249.415	CEQIUZHXYOKKIQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027739
CNC(c1sc2c(c1)CCC2)CC1CCCC1	PC-id_113666438	249.415	GLCKGDGNFQHGRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027740
NC(c1sc2c(c1)CCC2)C1CCCCCC1	PC-id_105027659	249.415	HBMRYXLEXGZHII-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-027741
NC(c1sc2c(c1)CCC2)CC1CCCCC1	PC-id_113665928	249.415	FJGXDJSVEQFESJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027742
s1c(CNC2CC(CC2)CC)cc2c1CCC2	PC-id_64501338	249.415	OQTDXVIVSZUXTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027743
s1c(CNC2C(CCC2)(C)C)cc2c1CCC2	PC-id_79860773	249.415	VDFJTQWZJIRRLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027744
s1c(CNC2CC(CC2)(C)C)cc2c1CCC2	PC-id_80705021	249.415	LSJWNUGIODSGCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027745
s1c(CNC2CC(CCC2)C)cc2c1CCC2	PC-id_61207386	249.415	OLLWAYLOGAIAOF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027746
s1c(CNC2C(CCCC2)C)cc2c1CCC2	PC-id_61208542	249.415	AQQDHQQIGVRJEK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-027747
s1c(CNC(C)C2CCCC2)cc2CCCc12	MCULE-9774001298,PC-id_62633922	249.415	RUHZCWNPBKGEMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027748
Clc1ccc(C(=O)c2nnn3CCOc23)cc1	PC-id_46934572,CHEMBL1221860	249.653	QRVGTWJXKQETIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027749
Clc1ccccc1OCc1nnc2CCCn12	MCULE-2936994191,EMOLS-id_317372717,PC-id_2420601	249.696	FJRVWTAVTXAXBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027750
Clc1ccc(OCc2nnc3CCCn23)cc1	EMOLS-id_324810753,MCULE-3995919235	249.696	SQJNTUDCCXNUQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027751
C[C@@H]1C[C@H](Nc2ncc(Cl)cn2)c2nccn12	ZINC22_333642699	249.699	CKSVTRADPPLRQL-APPZFPTMSA-N	00000010100000100001000010000000000000000000000000000000	25-01-027752
C[C@H]1C[C@H](Nc2ncc(Cl)cn2)c2nccn12	ZINC22_333642703	249.699	CKSVTRADPPLRQL-CBAPKCEASA-N	00000010100000100001000010000000000000000000000000000000	25-01-027753
C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2nccn12	ZINC22_333642706	249.699	CKSVTRADPPLRQL-IONNQARKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-027754
C[C@@H]1C[C@@H](Nc2ncc(Cl)cn2)c2nccn12	ZINC22_333642710	249.699	CKSVTRADPPLRQL-VXNVDRBHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-027755
Clc1cnc(nc1)NC1CC(n2c1ncc2)C	EMOLS-id_101345256,MCULE-7481333134	249.699	CKSVTRADPPLRQL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-027756
C1Cc2c(C1Cc1cc(c(cc1)F)Cl)cc[nH]2	PC-id_90852158	249.711	GGSOVFWPFDKMRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027757
CC1(C)CCc2c(CS(=O)(=O)Cl)noc12	MCULE-2566201825,EMOLS-id_259608006	249.714	XHFIYZLMIGDKAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027758
CCC1CCc2c(CS(=O)(=O)Cl)noc12	EMOLS-id_259608012,MCULE-5737138111	249.714	QAKDJSBQTUCZNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027759
Clc1ccc(cc1)[C@@H](c1c[nH+]c2n1CCC2)O	PC-id_34883705,GD-id_ZINC27526767	249.716	BTLABYJXXMWYIE-ZDUSSCGKSA-O	00000010100000110001000010000000000000000000000000000000	25-01-027760
Clc1ccc([C@@H](O)c2[n+]3CCCc3[nH]c2)cc1	PC-id_34883706	249.716	BTLABYJXXMWYIE-CYBMUJFWSA-O	00000010100000110001000010000000000000000000000000000000	25-01-027761
Clc1ccc(C(O)c2[n+]3CCCc3[nH]c2)cc1	PC-id_85491078	249.716	BTLABYJXXMWYIE-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-027762
Clc1sc2CCC(Nc3ccccc3)c2c1	PC-id_81252151	249.759	VTXHSGCWFJFAAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027763
Clc1nc2SCCn2c1CSCCN	PC-id_15651048	249.784	UGPKTGPYMIAGOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027764
C1C(=O)c2c([Se]1)cc[se]2	PC-id_135085717	250.015	LZETYMUXWFFIJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027765
c12COCc1nn(C)c2I	EMOLS-id_317871351,MCULE-8218079782	250.037	HDRDCQJRNCWYPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027766
Cc1nn2c(c1I)OCC2	PC-id_135246353,SCHEMBL20406082	250.037	OSWZOQVHQKQRKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027767
CN1Cc2c(C1)c(no2)I	SCHEMBL19454130	250.037	FBHDBGLUPAPCOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027768
ICC1CCc2n1nnn2	PC-id_101259517	250.04	UPERXNHNADAUFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027769
OC(=O)c1cn2c(n1)SC(N2)Br	SCHEMBL18678410	250.073	XJKYZDDLGDGSAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027770
c12CCCc1scc2I	MCULE-7926439535,EMOLS-id_330874432	250.1	LXUFFAWPNVEEEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027771
Ic1sc2c(c1)CCC2	PC-id_118155998,SCHEMBL16814209	250.1	OMGBQNPJESYNRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027772
Brc1c2CS(=O)(=O)Cc2[nH]c1C	PC-id_84803872	250.113	PSGLQBPYPOXUMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027773
Brc1n(cc2CS(=O)(=O)Cc12)C	PC-id_15320005	250.113	VYKLRKLLDKGRRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027774
CCN1CCOC(C1)C(=O)N2CCN3C2=CC=N3	MCULE-5560874229,PC-id_154757591,EMOLS-id_317287890	250.143	HGZNDQFCNGATGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027775
P(=O)(O)(O)c1ncn2C(C(O)C(O)c12)CO	PC-id_85308411	250.146	RELDZRASTNCIRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027776
P(=O)(O)(O)c1ncn2[C@@H]([C@@H](O)[C@H](O)c12)CO	PC-id_10901035	250.146	RELDZRASTNCIRL-UYFOZJQFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027777
C1=CC(c2c1c(nn2CC(=O)O)C(F)F)(F)F	SCHEMBL16006609,PC-id_90385742	250.15	AACZKJXBVBMUJI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027778
Cc1n[n+]2c(s1)SCC2=CBr	PC-id_134158580	250.159	KSUIMFJEDAIFMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027779
CC1(CC2=CC(=NN2C1)COC3CCCCO3)C	PC-id_153525099	250.168	IXBNYKBVPJNUOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027780
CCC(C)(C)C1=C2C(=C(N1)C(C)(C)C=C)ONO2	PC-id_163615407	250.168	HJNUZIIOCLLFNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027781
c1(C(=O)OC)c2COCc2nn1CC(F)(F)F	EMOLS-id_324401238,MCULE-5574832588	250.175	AUVALXIJZQPXGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027782
FC(F)(F)C1(O)C(Cn2c1[n+](cc2)C)C(=O)[O-]	MCULE-6329850498,PC-id_42947682,EMOLS-id_17189722	250.175	ZEGWPIVYFNJMBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027783
FC(F)(F)[C@]1(O)[C@@H](Cn2c1[n+](cc2)C)C(=O)[O-]	CoCoCo_4713111,PC-id_32357628	250.175	ZEGWPIVYFNJMBS-XNCJUZBTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027784
FC(F)(F)[C@]1(O)[C@H](Cn2c1[n+](cc2)C)C(=O)[O-]	CoCoCo_4713112,PC-id_32357637	250.175	ZEGWPIVYFNJMBS-XRGYYRRGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027785
FC(F)(F)[C@@]1(O)[C@H](Cn2c1[n+](cc2)C)C(=O)[O-]	CoCoCo_4713113,PC-id_32357655	250.175	ZEGWPIVYFNJMBS-SVGQVSJJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027786
FC(F)(F)[C@@]1(O)[C@@H](Cn2c1[n+](cc2)C)C(=O)[O-]	CoCoCo_4713114,PC-id_32357646	250.175	ZEGWPIVYFNJMBS-YLWLKBPMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027787
c12CSCc1sc(CN)c2Br	EMOLS-id_330874434,MCULE-1203166514	250.179	ACBTUDSAYVJMTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027788
c1(CBr)c2CSCc2sc1N	EMOLS-id_331062570,MCULE-9898047923	250.179	XSBNUMAPZBDFPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027789
c1(CN)c2CSCc2sc1Br	MCULE-5753666664,EMOLS-id_331060779	250.179	APLLNLPPRNEIOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027790
CN(CC1=NN=C2N1CCC2)C3CCCCC3O	MCULE-7206167131,PC-id_154751314,EMOLS-id_257819553	250.179	FXBXYGHRKALPMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027791
O=CCn1nc(c2c1C(F)(F)C(C2)C)C(F)F	PC-id_142466476	250.193	RSCGIFOISZOGOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027792
s1c(c2CCC(=O)c2c1C(=O)O)C(F)(F)F	PC-id_82623143	250.194	APJPFVDDDADUBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027793
Fc1cncc(c1C(=O)N1Cc2c(C1)cn[nH]2)F	EMOLS-id_319502788	250.204	JMQVZBNXYWOPTD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-027794
COc1[nH]nc(n1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_316525419,MCULE-3740418426	250.214	PYCSSOLPOJYXOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027795
[O-][N+](=O)c1cn2c(n1)OC(C2Cn1ccnn1)C	SCHEMBL17701382,PC-id_121295259	250.214	PAHKJRZODJMHIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027796
s1c2c([C@H]([NH3+])[C@H](C2=O)C(=O)C(F)(F)F)cc1	PC-id_23242640	250.218	BKCVWQYAVHDQRA-UHNVWZDZSA-O	00000010100000000000000010000000000000000000000000000000	25-01-027797
s1c2c(C([NH3+])C(C2=O)C(=O)C(F)(F)F)cc1	PC-id_74026239	250.218	BKCVWQYAVHDQRA-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-027798
CC(C)n1c2c(CCC2(C)F)c(n1)C(F)(F)F	PC-id_90162141,SCHEMBL15723728	250.236	PRZFMSBNJFENCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027799
CC(C)n1c2c(CC(C2)(F)F)c(n1)C(C)(F)F	SCHEMBL15723702,PC-id_90162116	250.236	QGZUGDVZYBYOKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027800
CC(C)n1c2c(c(n1)C(C)(F)F)C(CC2)(F)F	SCHEMBL15723829,PC-id_90162234	250.236	PHZPXSPXTLFHBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027801
CC(=O)Cn1c2c(CSC2)c(n1)C(F)(F)F	SCHEMBL15724323,PC-id_90162701	250.241	CHJRTDRTAKRTCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027802
CC(=O)Cn1c(c2CSCc2n1)C(F)(F)F	PC-id_90162702,SCHEMBL15724324	250.241	BBCZFYCLEVCCOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027803
NC(=O)C1(O)CN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_258145522,MCULE-8256313809	250.251	ISGMAWYRUIOWQD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-027804
CN1CCOC(C1=O)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_278816290	250.254	ZGQZYYHKXJKVQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027805
CNC(=O)C1CN(C1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99597816	250.254	KYURAJUEXRIJKT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027806
n1c(CNC(=O)[C@@H]2COC(=O)N2)c2c(CCC2)[nH]1	ZINC22_426712884,MCULE-2586874002,EMOLS-id_177504387,PC-id_121512850	250.254	ZIWRBVZYTSOULG-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-027807
O=C(N1CCn2c1ccn2)C1OCCN(C1=O)C	EMOLS-id_258083347	250.254	IGCSZRWJUUVEPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027808
O=C(N1CCn2c1ncc2)C1OCCN(C1=O)C	MCULE-3969729459,EMOLS-id_258164341	250.254	FDIAMLUFSGVZGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027809
O=C(NC(c1n2CCCc2nn1)C)C=CC(=O)O	EMOLS-id_314080398,PC-id_76201807	250.254	FHLPJWNNOZRAGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027810
O=C(NC(c1n2CCCc2nn1)C)/C=C/C(=O)O	PC-id_54868265	250.254	FHLPJWNNOZRAGI-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027811
O=C(N(Cc1n2CCCc2nn1)C)/C=C/C(=O)O	PC-id_54875743	250.254	NMANFJZSKHUQOD-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027812
O=C(N(Cc1n2CCCc2nn1)C)C=CC(=O)O	PC-id_76202001,EMOLS-id_314092686	250.254	NMANFJZSKHUQOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027813
CCC(n1nc2c(c1)S(=O)(=O)C(C2)(F)F)C	PC-id_142056539	250.266	AREZWLZZZPZAEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027814
O(C(C)(C)C)C(=O)n1cc2CC(Cc2c1)C(=O)[O-]	PC-id_25324768	250.27	DOHVKLVBXFLLGR-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-027815
CC(C)[C@H](F)C(=O)Nc1nc2n(c1C#N)CCC2	ZINC22_1775999797	250.272	WGKJGJUWHMNTFP-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-027816
CC(C)[C@@H](F)C(=O)Nc1nc2n(c1C#N)CCC2	ZINC22_1775999800	250.272	WGKJGJUWHMNTFP-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027817
N#Cc1c(NC(=O)C(C(C)C)F)nc2n1CCC2	EMOLS-id_317009465,MCULE-2310604011	250.272	WGKJGJUWHMNTFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027818
C(=O)(Nc1sc2CCCc2c1C#N)C(O)C=O	EMOLS-id_328048539,MCULE-7908086331	250.274	QUZMJZZJFHDEMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027819
N#Cc1c(NC(=O)CC(=O)O)sc2c1CCC2	PC-id_55049588,EMOLS-id_38854559	250.274	VWCAHMMZSVOGKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027820
s1c2CCCc2nc1Nc1oc(cc1)C(=O)O	PC-id_62205330	250.274	UNRHMBNUJYBNSG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-027821
C1COc2cc(nn12)C(=O)NCc1nccs1	PC-id_91959816	250.277	UJVUZVODPREFQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027822
Cn1ccs/c/1=NC(=O)c1cc2n(n1)CCO2	ZINC22_368077900	250.277	ZOENUEYVWPYEDF-KHPPLWFESA-N	00000010100000000001000010000000000000000000000000000000	25-01-027823
COc1nsc(c1)C(=O)N1CCn2c1ncc2	EMOLS-id_279043795	250.277	IGFMVVZFLRGLET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027824
N#CCNC(=O)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314145041,PC-id_54963550	250.277	XQVLZWAMUBEFNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027825
O=C(c1nn2c(c1)OCC2)Nc1csnc1C	MCULE-4978194167,EMOLS-id_320182664	250.277	CKKWVIVSGMKBOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027826
O=C(c1nn2c(c1)OCC2)N=c1sccn1C	MCULE-4324408270,EMOLS-id_177173711	250.277	ZOENUEYVWPYEDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027827
O=C(N1Cc2c(C1)cn[nH]2)COc1ccsn1	EMOLS-id_318967284	250.277	BWNJPXMHWUVHIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027828
O=C(N1CCn2c1ncc2)COc1nscc1	EMOLS-id_320124927,MCULE-8907038155	250.277	AQYHYKBRSPRMSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027829
OC(=O)C1CCc2c1nc(s2)Nc1c[nH]nc1	PC-id_104287913	250.277	CQCULKTYYYNOCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027830
C1Cn2c(c(c(=O)n2C1)N=Nc1nccs1)N	SCHEMBL2516108,PC-id_136155039	250.28	BWUNTCQCPFBIET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027831
Cn1nnc(n1)C(=O)Nc1sc2c(n1)CCC2	MCULE-7512754059,EMOLS-id_320258499	250.28	OJSUORAIPZSVML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027832
Nc1n2CCCn2c(=O)c1/N=N/c1nccs1	SCHEMBL2516104	250.28	BWUNTCQCPFBIET-OUKQBFOZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027833
Nc1[nH]nc(n1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_39377792,PC-id_62794385	250.28	OLTVVTDZEXFPDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027834
OC(c1sc2c(c1)CCC2)CCC(F)(F)F	PC-id_115808683	250.281	KZLZZAQIAYBUCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027835
FC(CCNCc1sc2c(n1)CCC2)(F)F	PC-id_115887757	250.284	VWQLHQNZNZNNSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027836
Fc1ccc(cc1)Cn1nc2c(c1O)CSC2	EMOLS-id_315789956	250.292	SWIOOOQIKBPSQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027837
Fc1cccc(c1)Cn1nc2c(c1O)CSC2	EMOLS-id_315790212	250.292	HLWBSASMTSPQFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027838
n1c(COc2ccc(cc2)F)sc2CCNc12	PC-id_82087367,MCULE-9536336384	250.292	PEMCZJXRFWWFDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027839
s1c2CCNc2nc1COc1cc(F)ccc1	PC-id_82087366	250.292	HXSKEEKXLMBLBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027840
s1c2CCNc2nc1COc1c(F)cccc1	PC-id_82087365	250.292	NBKXMHPXZGLYGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027841
S1Cc2c([nH]n(c2=O)Cc2ccc(F)cc2)C1	PC-id_83195838	250.292	VQRLPMLDLVNPTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027842
S1Cc2c([nH]n(c2=O)Cc2cc(F)ccc2)C1	PC-id_83195942	250.292	BSYULTRNBVMIEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027843
c1(C(=O)O)c2COCc2nn1CC1CCCCC1	EMOLS-id_324402005,MCULE-1296720385	250.294	REXTUSBCNRZZMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027844
c1(C(=O)OC)c2COCc2nn1CC1CCCC1	EMOLS-id_324399958,MCULE-8336076152	250.294	KGPIBLMEXPGMSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027845
CCCC(=O)N1[C@@H](C(C)C)c2c(C1=O)c(on2)C	PC-id_102228467	250.294	JDUKGRBSXPSOAB-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027846
CCCN1Cc2c(C1=O)c(c([nH]2)C(=O)OCC)C	SCHEMBL14423898,PC-id_58592424	250.294	WEJXYKAUVPLWQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027847
CCCN1C=c2c(c(c(=C(O)OCC)[nH]2)C)C1=O	PC-id_90787203	250.294	BHJIRLQZYGWKJO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-027848
CCOC1=Cc2c(C1)c(n[nH]2)C(=O)OC(C)(C)C	SCHEMBL5524267,PC-id_58713648	250.294	HQABDUSDSBZUJI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027849
COCCC(=O)c1nc2c(o1)CN(C2)CC1CC1	PC-id_134689133	250.294	MUEAEUUTMHTBMW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027850
OCC1(O)CCN(C1)C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319907153,MCULE-2180147354	250.294	ZMJKRLRXPNCXHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027851
O(C(C)(C)C)C(=O)c1c2n(c(c1C)C)CC(=O)N2	PC-id_13809859	250.294	IRBWVNSSBIOQSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027852
s1c2c(CCC2)c(c1NC(=O)C1CC1)C(=O)[O-]	PC-id_2109207	250.294	KPAPECLGCAJSIC-UHFFFAOYSA-M	00100010100000000000000010000000000000000000000000000000	25-01-027853
Cc1cc2NC(Nc3ccc(F)cc3)Sn2n1	SPECS-id_AQ-090/41768883,CHEMBL1558672,ChEMBL-DNDi_CHEMBL1558672,BindingDB-id_87253,MCULE-8756963766,EMOLS-id_8288208	250.295	FKJFCPIPXDQLID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027854
Cc1cc2n(n1)S[C@H](Nc1ccc(F)cc1)N2	CoCoCo_6392931,ZINC22_13123153	250.295	FKJFCPIPXDQLID-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-027855
Cc1cc2n(n1)S[C@@H](Nc1ccc(F)cc1)N2	CoCoCo_6392932,ZINC22_13123154	250.295	FKJFCPIPXDQLID-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-027856
N#CC1CCn2c1ccc2C(=O)c1cccc(c1)C	PC-id_21331550,SCHEMBL11535191	250.295	HOOAOQISUKXVEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027857
N#CC1CCn2c1ccc2C(=O)c1ccccc1C	SCHEMBL11531102,PC-id_21331540	250.295	KKFFBSARJYNLDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027858
N#CC1CCn2c1ccc2C(=O)c1ccc(cc1)C	SCHEMBL11533036,PC-id_21331547	250.295	ZMWYYBFMFLVKTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-027859
c12CN(Cc1nn(CC1CCC1)c2N)C(=O)OC	MCULE-4682668827,EMOLS-id_324338021	250.297	WVKBGEVUHOKMIC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027860
C1CCN(C1)CCNC(=O)c1nn2CCOc2c1	PC-id_91959889	250.297	LFIFSQRBFXJERA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027861
c1(C(=O)NCCNC(=O)C)c2CCCc2n(C)n1	EMOLS-id_180404743,MCULE-8567793356,PC-id_110678745	250.297	NDTGACDMKAHURD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027862
Cc1c2n(CCO2)nc1C(=O)N1CCN(CC1)C	PC-id_91959959	250.297	CQOXKCURWOIRQM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027863
CCC1OCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319103124	250.297	ULWHWGQGJKULSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027864
CCCC(=O)Nc1n[nH]c2c1CN(C2(C)C)C=O	PC-id_143492425	250.297	RMDDKRPGQGMQOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027865
CC(C)N(CC(=O)N)C(=O)c1n[nH]c2c1CCC2	ZINC22_264052687,PC-id_146124504	250.297	XNXABHJIPPITLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027866
C[C@@H]1O[C@H](C)CN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318959651	250.297	RHWDUKOPLFDMKZ-OQJHAAMPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027867
C[C@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)N(C)C	ZINC22_276794715	250.297	UURPYSXGXBADOT-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027868
C[C@@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)N(C)C	ZINC22_298601934	250.297	UURPYSXGXBADOT-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027869
CCN1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959857	250.297	WRKSDNSJPJQVCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027870
CCN1CCOC(C1)C(=O)N1CCn2c1ncc2	EMOLS-id_319746133	250.297	WZXXHWVKVFMMLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027871
CCNC(=O)CCCC(=O)N1CCn2c1ncc2	EMOLS-id_279043895	250.297	ZSLAUJSRMPZHBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027872
CN1Cc2c(C1)nc(n2C)C(=O)N1CCOCC1	PC-id_144979151	250.297	VFEMZIXNDCCVAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027873
CN1CCC(CC1)NC(=O)c1nn2CCOc2c1	PC-id_91959785	250.297	FVLMISXNWRCLBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027874
CN1CC(C)OC(C1)C(=O)N1CCn2c1ncc2	EMOLS-id_279043789	250.297	OSIPZMBRVHTONK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027875
COC1CCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319032551	250.297	TVYSZNSFQIHILY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027876
COCC(C1CC1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320097474,MCULE-8744071935	250.297	HAARGBVJFPSZNL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027877
O1C(CCC1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_53503841	250.297	BLXAONLQTLYGMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027878
O1C(CCC1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_53515518	250.297	HYOCPBFNTNDYRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027879
OC1CNCC1CNC(=O)c1n[nH]c2c1CCC2	PC-id_120945871	250.297	FDJXIZNTQUJIIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027880
O=C(C1CCCC1)NOCc1nnc2n1CCC2	EMOLS-id_319707824	250.297	OJADXWNXYJAWTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027881
O=C(c1cn2c(n1)CCC2)NCC1CNCCO1	MCULE-7240302081,EMOLS-id_316905900	250.297	KVIPYOFQDQDBPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027882
O=C(C1CNCCO1)Nc1n(C)nc2c1CCC2	EMOLS-id_302173832,PC-id_119822858,MCULE-3165624147	250.297	JCEMMRXVBQEFBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027883
O=C(C1NCc2c1c[nH]n2)NCC1CCCCO1	EMOLS-id_319209895	250.297	WNAIJNZVQBHXLX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027884
O=C=CC(ON1Cc2c(C1(C)C)n[nH]c2N)(C)C	PC-id_141251703	250.297	SDVONCCRCMNQNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027885
O=C(C(NC(=O)c1n[nH]c2c1CCC2)C)N(C)C	MCULE-2615580508,EMOLS-id_177259356	250.297	UURPYSXGXBADOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027886
O[C@@H]1CCCC[C@H]1NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319142450	250.297	UHVNUSVPHBBCKG-TZIJJQLOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027887
O=C(N1CCn2c1ncc2)CNC(=O)C(C)(C)C	EMOLS-id_319263125	250.297	YKZDUGQBGIJQIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027888
O=C(NC(c1n2CCCc2nn1)C)CCC(=O)C	PC-id_65417196	250.297	DGIYSMABRZPWBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027889
O=C(N(Cc1n2CCCc2nn1)C)CCC(=O)C	PC-id_65418046	250.297	YHMBUULETQVKFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027890
O=C(NCC(C)(C)C(=O)N)c1n[nH]c2c1CCC2	PC-id_78882416	250.297	ZMUOREXUDDAYJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027891
O=C(NC[C@H]1CNCCO1)c1cn2c(n1)CCC2	ZINC22_564992319	250.297	KVIPYOFQDQDBPI-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027892
O=C(NC[C@@H]1CNCCO1)c1cn2c(n1)CCC2	ZINC22_564992320	250.297	KVIPYOFQDQDBPI-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-027893
c12CN(Cc1scc2C#N)C(=O)OC(C)(C)C	EMOLS-id_331064098,MCULE-7554523307	250.317	JRWGSCMUGZMFNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027894
c1(C#N)c2CCCc2sc1NCC(C)C(=O)O	PC-id_82310365,MCULE-9858462599	250.317	GBQSCAUCLPZTJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027895
c1(C#N)c2CCCc2sc1NCCC(=O)OC	PC-id_82316799,MCULE-1634538405	250.317	RJUGSKQUGUYIIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027896
c1(NC(=O)C2CC2)sc2c(CCC2)c1C(=O)N	MCULE-5744186794,EMOLS-id_181348255,SCHEMBL5467649,PC-id_19202131	250.317	AMRRTGBNQVSLFW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-027897
c1(NC(=O)OC(C)C)sc2c(CCC2)c1C#N	MCULE-6834547910,PC-id_14014999	250.317	QNROHJKOBXYSBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027898
CC=CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_73014333,EMOLS-id_315432743	250.317	NWEOCXMEQPQKKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027899
C/C=CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_97305582	250.317	NWEOCXMEQPQKKY-RQOWECAXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027900
CCOCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_315259368,PC-id_60718423	250.317	QPOYZKFFLURCRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027901
CCOC(=O)[C@]1(C)CCc2c1c(C#N)c(s2)N	CoCoCo_5738817,NSC671477,PC-id_101692937	250.317	ITJDYMOUDAANMI-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027902
CCOC(=O)[C@@]1(C)CCc2c1c(C#N)c(s2)N	PC-id_101692938,CoCoCo_5738818	250.317	ITJDYMOUDAANMI-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027903
CCOC(=O)C1(C)CCc2sc(N)c(C#N)c12	PC-id_383363,EMOLS-id_337891106	250.317	ITJDYMOUDAANMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027904
CN1CN(CC1=O)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102438662	250.317	HMQHUQWJDPDTHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027905
COCCC(=O)Nc1c(C#N)c2c(CCC2)s1	MCULE-6952798629,EMOLS-id_322613857	250.317	SZAFNFJXBVQVLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027906
COC(C(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_113225461	250.317	XKEDEAHFZDDHDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027907
C(=O)(Nc1sc2CCCc2c1C#N)CCCO	MCULE-6710966017,EMOLS-id_261233768,PC-id_79191366	250.317	WKEBXTJDHKHPQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027908
N#CC1Cn2c(S1)c(c(c2)C)C(=O)OC(C)C	PC-id_139944706	250.317	CBZJIRNMDOFFON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027909
N#Cc1scc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_139679529	250.317	BMWUMORBNRDQHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027910
O=C1CN(C(=O)c2cc3c(s2)CCC3)CCN1	ZINC22_32732021,PC-id_39959434,MCULE-5610911046,EMOLS-id_37235009,CoCoCo_3916180	250.317	UHWQFOGUIOEDPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027911
O=C1NCC(C1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_99056901	250.317	KFRKAKHKYDBICU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027912
O=C(c1sc2c(c1)CCC2)N1CC(C1)C(=O)N	EMOLS-id_319144223	250.317	DFISXZQIVAPTNK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-027913
s1c2c(CCC2)cc1CNC1CC(=O)NC1=O	PC-id_61207778	250.317	HBKLNYIIJNBOEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027914
s1c2CCCc2cc1C(=O)NNC(=O)C1CC1	PC-id_27684420	250.317	CFPCDUFHAPHPCH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-027915
s1c2c(CCC2)c(c1N(CCC(=O)O)C)C#N	PC-id_82310146	250.317	WIOQWFHIMUJSCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027916
s1c2c(CCC2)c(c1NC(=O)/C=C/C)C(=O)N	PC-id_71651615	250.317	NWEOCXMEQPQKKY-DUXPYHPUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027917
c12SCCn1cc(CNC(=O)C1C=CCN1)n2	PC-id_122558086,MCULE-8845638834,EMOLS-id_177377882	250.32	RJOZBNLDZYLGOK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027918
c1(NC(=O)C2C=CCN2)n(C)nc2CSCc12	PC-id_134701868,MCULE-6237614757,EMOLS-id_316171717	250.32	OLFDPDLSLSYSNP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027919
Cc1nnc(NCCc2nc3CCCc3s2)o1	MCULE-8310654570,EMOLS-id_46621640,ZINC22_95369104,PC-id_72881438	250.32	MHRJEAGBVVQUFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027920
Cn1nc2c(c1NC(=O)[C@H]1C=CCN1)CSC2	ZINC22_1529133542	250.32	OLFDPDLSLSYSNP-MRVPVSSYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027921
Cn1nc2c(c1NC(=O)[C@@H]1C=CCN1)CSC2	ZINC22_1529133544	250.32	OLFDPDLSLSYSNP-QMMMGPOBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027922
Cn1nnc(n1)CC(c1sc2c(c1)CCC2)O	PC-id_113912394	250.32	MHUOYMFTYFMNTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027923
COc1nscc1NCc1cnn2c1CCC2	ZINC22_952994492,EMOLS-id_316981588,MCULE-8695338998	250.32	VVMFFNQSHUAXER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027924
CSC1=NCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_71977632,MCULE-5835759156,ZINC22_96454395,EMOLS-id_49092596	250.32	COIDHZCBTQLCLZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027925
N=C(NC(=O)C1CC1)Nc1sc2c(n1)CCC2	SCHEMBL10280725,PC-id_59140334	250.32	HXFZGTGOCFXVIO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027926
[N-]=[N+]=NCCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_50767706,PC-id_61343832	250.32	UMWRGKSVLANLHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027927
O=C(NCc1cn2c(n1)SCC2)[C@H]1C=CCN1	ZINC22_534584483	250.32	RJOZBNLDZYLGOK-SECBINFHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-027928
O=C(NCc1cn2c(n1)SCC2)[C@@H]1C=CCN1	ZINC22_534584484	250.32	RJOZBNLDZYLGOK-VIFPVBQESA-N	00000011100000000001000010000000000000000000000000000000	25-01-027929
s1c2CN(Cc2nc1N)Cc1c(onc1C)C	PC-id_82194258	250.32	ZWTXXHZPFXPTON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027930
s1nnc(CNC(c2n3CCCc3nn2)C)c1	PC-id_43748188	250.323	KPRSVQGMMLCHFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027931
C1Cc2c(n(c(c2C1)O)CCCC1CCNC1)O	PC-id_91511073	250.337	KZMLISHCBQNVPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027932
c1(C(=O)O)c2C(C)CCc2n(CCC(C)(C)C)n1	EMOLS-id_330985979,MCULE-4229962795	250.337	JMWDPRABPQPISN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027933
c1(C(=O)O)c2C(C)CCc2n(C(C)C(C)(C)C)n1	EMOLS-id_330988539,MCULE-6989397434	250.337	OJBGXTKZNWWJEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027934
c1(C(=O)O)c2C(C)CCc2n(CC(CC)CC)n1	MCULE-9827612290,EMOLS-id_330987003	250.337	MZQJJGQVCAVWIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027935
c1(C(=O)O)c2C(C)CCc2nn1CCC(C)(C)C	EMOLS-id_330970300,MCULE-1535444465	250.337	ZJSCKTVCKGTTNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027936
c1(C(=O)O)c2C(C)CCc2nn1CC(CC)CC	EMOLS-id_330971324,MCULE-7805157132	250.337	ZXNHBYZPPVHOFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027937
c1(C(=O)O)c2C(C)CCc2nn1C(C)C(C)(C)C	EMOLS-id_330972604,MCULE-2528860835	250.337	LNEWUNHZGNUTCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027938
c1(C(=O)OC)c2C(C)CCc2n(C(CC)CC)n1	EMOLS-id_330997489,MCULE-6616195091	250.337	LNNGCDQRCIPCQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027939
c1(C(=O)OC)c2C(C)CCc2n(CCC(C)C)n1	MCULE-4083489519,EMOLS-id_330994928	250.337	NSBUKJRWKWJOBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027940
c1(C(=O)OC)c2C(C)CCc2n(C(C)C(C)C)n1	MCULE-4205038215,EMOLS-id_330997233	250.337	HDQYFUUEWAZEFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027941
c1(C(=O)OC)c2C(C)CCc2n(CC(C)(C)C)n1	MCULE-8038913488,EMOLS-id_330996977	250.337	MSVAJKINWKENET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027942
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C(C)C	EMOLS-id_330976952,MCULE-2257872995	250.337	SEBWVKLVDAPCCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027943
c1(C(=O)OC)c2C(C)CCc2nn1CCC(C)C	EMOLS-id_330977969,MCULE-3772163211	250.337	UNTWXZICENPMTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027944
c1(C(=O)OC)c2C(C)CCc2nn1CC(C)(C)C	EMOLS-id_330980018,MCULE-6700815475	250.337	MXBJRHANGUQHDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027945
c1(C(=O)OC)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_330980274,MCULE-2136397822	250.337	BMRQJVAXNLFTQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027946
c1(C(=O)OCC)c2C(C)CCc2n(C(C)CC)n1	EMOLS-id_330999288,MCULE-6774151846	250.337	OBJVVVPWUSXZJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027947
c1(C(=O)OCC)c2C(C)CCc2n(C(C)(C)C)n1	EMOLS-id_331000823,MCULE-9780365936	250.337	UGERMEWRHRHPMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027948
c1(C(=O)OCC)c2C(C)CCc2n(CC(C)C)n1	EMOLS-id_331001589,MCULE-3689951578	250.337	LOFQPJQOCHXICG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027949
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)CC	EMOLS-id_330981310,MCULE-4749715455	250.337	UDHCDUXXEDNKIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027950
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)(C)C	EMOLS-id_330982840,MCULE-3595809045	250.337	VDTKOJQHOCKBIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027951
c1(C(=O)OCC)c2C(C)CCc2nn1CC(C)C	MCULE-6257798655,EMOLS-id_330983606	250.337	UNAWGHLRRBYBAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027952
c1(C(=O)OC(C)(C)C)c2CCCc2n(C(C)C)n1	EMOLS-id_324390482,MCULE-5291625363	250.337	QGWVRFAGRJIQED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027953
c1(C(=O)OC(C)(C)C)c2CCCc2nn1C(C)C	MCULE-5969687648,EMOLS-id_324390492	250.337	HJESIBVOXQIQFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027954
CC(C1CCCOC1)n1nc2CCC(C)c2c1O	MCULE-2949928404,EMOLS-id_331008421	250.337	SXLRLPZKQXJSBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027955
CC(C1CCOC1)n1nc2CCC(C)c2c1CO	EMOLS-id_330991291,MCULE-9901330068	250.337	VGAXDCPYJZWVEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027956
CC(C1CCOCC1)n1nc2CCC(C)c2c1O	MCULE-7708254782,EMOLS-id_331007909	250.337	LDERFIRMMGAOIJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027957
CC(c1nn(c2c1CCC2)C(=O)OC(C)(C)C)C	SCHEMBL20866505,PC-id_138514768	250.337	XQHMUJCSCHKRFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027958
CC(C)(C)OC(=O)NCCc1ccc2CCCn12	PC-id_112757464,EMOLS-id_53893978,MCULE-2804498073,ZINC22_225751388	250.337	OMEVQWHQISZCIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027959
CCOC(=O)c1cc2CC(C)(C)Cc2n1CCN	MCULE-1521404533,EMOLS-id_317496391,SCHEMBL10255820,PC-id_58043857	250.337	AYKBCPNZNLRHSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-027960
CCOC(=O)c1c(C)c2CN(Cn2c1C)C(C)C	PC-id_241050,NSC48146,CoCoCo_5353002,CoCoCo_5353003,LI_29116	250.337	JWOKWNHVOXJRHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027961
c1(C(=O)N)c2C(C)CCc2n(CCCN(C)C)n1	MCULE-2687572363,EMOLS-id_331039747	250.34	LNKYQNVJARACCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027962
c1(C(=O)N)c2C(C)CCc2nn1CCCN(C)C	MCULE-7909343526,EMOLS-id_330957506	250.34	NOCFTJCURNLQTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027963
c1(C(=O)NCCCCN(C)C)c2CCCc2[nH]n1	EMOLS-id_335014930,MCULE-9510567352	250.34	VVIGBNATGOXVCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027964
c1(C(=O)NCCCN(C)C)c2CCCc2n(C)n1	EMOLS-id_179745040,PC-id_110388991,MCULE-9601401210	250.34	QDIVIXRJCHJUGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027965
c1(C(=O)NCCN(CC)CC)c2CCCc2[nH]n1	EMOLS-id_323258296,MCULE-7778515940	250.34	UQVCZVGFGKBGDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027966
c1(snc2CCCc12)NC(=O)c1cccs1	PC-id_54774360,MCULE-6811940839	250.34	TUWOUUFLINTACT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-027967
CC1CC(c2n1ncn2)NCCCC1(O)CCC1	EMOLS-id_316587755	250.34	ZMTUHCGURCNSKP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027968
CC1(C)OC(c2c1c(n[nH]2)NC1CNCC1)(C)C	PC-id_114697992	250.34	DNUQNNWCGPAOOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027969
CC1COCCC1NC(c1nnc2n1CCC2)C	PC-id_114078652	250.34	LSLZFZDNTOFRBD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027970
CC(C1(C)CCCO1)NCc1nnc2n1CCC2	EMOLS-id_111730858	250.34	ROLPNEURFIZGRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027971
CC(C1CCCOC1)NCc1nnc2n1CCC2	EMOLS-id_99191566	250.34	HDUJXJGRXFIJJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027972
CC(C1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_110764992	250.34	OPZVXRXXSLJNRG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-027973
CC(C1COCC1)NC(c1nnc2n1CCC2)C	PC-id_116175440	250.34	PIHAVDMFZVSJIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027974
CC(C)C[C@@H](N)C(=O)NCc1n[nH]c2c1CCC2	MCULE-1379824768,ZINC22_71416270,PC-id_56862184,EMOLS-id_43063020	250.34	HIDJJHGLVNUTPF-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027975
CC(CCN1Cc2c(C1)[nH]nc2C(=O)N(C)C)C	PC-id_97461967	250.34	DHTHSFVMVGNKCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027976
CCC(CNC(=O)c1n[nH]c2c1CCC2)(CC)N	MCULE-6106200820,EMOLS-id_301775854,PC-id_119639887	250.34	BPFCLZOOMKFLDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027977
CC[C@@H](C(=O)NC1CC(n2c1ncc2)C)N(C)C	EMOLS-id_278892975	250.34	CSHHDHVZFMWYIV-ILDUYXDCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027978
CC[C@H](C(=O)NCc1cnc2n1CCC2)N(C)C	EMOLS-id_319127213	250.34	ALCOOFWSDRHBJD-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027979
CC[C@@H](C(=O)NCc1n[nH]c2c1CCC2)N(C)C	EMOLS-id_318933594	250.34	AHCFMOXNPPJEAE-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027980
CC[C@H](C(=O)NCc1n[nH]c2c1CCC2)N(C)C	EMOLS-id_319772302	250.34	AHCFMOXNPPJEAE-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027981
CC(C)N(C)CC(=O)Nc1c2c(nn1C)CCC2	MCULE-3745031437,ZINC22_299497827,EMOLS-id_316831130	250.34	JZJHCNNHKOIYHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027982
CCC(NC(=O)c1n[nH]c2c1CCC2)(CN)CC	PC-id_119568838,MCULE-2600728664,EMOLS-id_301688232	250.34	VOFIJKINDVQIKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027983
CCN(CC)CC(=O)Nc1c2c(nn1C)CCC2	CHEMBL4540400,EMOLS-id_44505168,MCULE-2467768411,PC-id_71935327	250.34	MYQPPJRTRANJJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027984
CC(NC(=O)C1CCc2n1c(nn2)C(C)(C)C)C	PC-id_118740607	250.34	BXNKIYALRCCNKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027985
CCN(C(=O)NCc1n[nH]c2c1CCC2)C(C)C	EMOLS-id_319699262	250.34	BRKJCRHXOKODQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027986
CCOC1CC(C1)NC(c1nnc2n1CCC2)C	PC-id_104009724	250.34	PNAPEQHLVOOMSG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027987
CC(O[C@@H]1C[C@@H](C1)NC1CC(n2c1ncn2)C)C	MCULE-7429421110,EMOLS-id_320207286	250.34	KBEGRUFPWGCVIY-WSVSKBAQSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027988
CN(Cc1n[nH]c2c1CCC2)C[C@]1(O)CCNC1	PC-id_96407857,ZINC22_77538404	250.34	PCEDBDTUMGSZTD-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027989
CN(Cc1n[nH]c2c1CCC2)C[C@@]1(O)CCNC1	PC-id_96407858,ZINC22_77538408	250.34	PCEDBDTUMGSZTD-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027990
CN(Cc1n[nH]c2CCCc12)CC1(O)CCNC1	MCULE-4794920726,PC-id_70783901,EMOLS-id_43603345	250.34	PCEDBDTUMGSZTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027991
CN(C(=O)Cn1nc2c(c1)CN(C2)C(C)(C)C)C	SCHEMBL19498030	250.34	OSHYHDLWLGWBMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027992
COC1(CCC1)CCNC1CC(n2c1ncn2)C	EMOLS-id_316585191	250.34	QBPWEIROBGQHFG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027993
COC1(CCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_279086563	250.34	FKCVHMKQGJDCMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027994
COCC1(CCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_318039216	250.34	RYNGBLOMCUTJQU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-027995
COCCC1(CNC2CC(n3c2ncn3)C)CC1	MCULE-9963766241,EMOLS-id_258182868	250.34	RZTPMZYHEBZQNU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-027996
NCC(C(C)C)(NC(=O)c1n[nH]c2c1CCC2)C	MCULE-4357477223,EMOLS-id_301786732,PC-id_119605667	250.34	HKSXZUUQRBDXLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027997
NCC(NC(=O)c1n[nH]c2c1CCC2)CC(C)C	MCULE-7893234509,EMOLS-id_301735469,PC-id_119585602	250.34	WFBHIPRWMNESTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027998
O1C(CCC1C)CNC(c1n2CCCc2nn1)C	PC-id_82835240	250.34	RIDWTHXZTLSAET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-027999
O1CC(CCC1)CNC(c1n2CCCc2nn1)C	PC-id_55241261	250.34	QOFSPAMWHMECRR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028000
O1CCC(CNC(c2n3CCCc3nn2)C)CC1	PC-id_62386508	250.34	SNZWFOYHPXPKQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028001
O1C(CC(NC(c2n3CCCc3nn2)C)CC1)C	PC-id_64103204	250.34	HJQFOVSRVRHRPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028002
O1CCC(NC(c2n3CCCc3nn2)C)CCC1	PC-id_65081446	250.34	BWHHYXISVGQLFV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028003
OC1CC(C1(C)C)NC(c1nnc2n1CCC2)C	PC-id_112633722	250.34	NQCFGGISISDIJB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028004
OC1CCC(CC1)NC(c1nnc2n1CCC2)C	PC-id_113854235	250.34	QWYPKTYRPUQZLW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028005
OCC1(CCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_279085928	250.34	HJNZLFWGYCKPHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028006
O=C(c1sc2c(c1)CCC2)Nc1ccsn1	EMOLS-id_318946216	250.34	JDCAZEVFWSYMPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028007
O=C(c1sccc1)Nc1sc2c(CCC2)n1	MCULE-3419183074,CoCoCo_4164041,ZINC22_6527132,EMOLS-id_11944056,PC-id_5093456	250.34	XGVWNOHIIYJPML-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028008
O(CC(NC(c1n2CCCc2nn1)C)C1CC1)C	PC-id_80408245	250.34	QKZJDBGJAOTNAR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028009
O[C@@H]1CCCC[C@H]1CNC1CC(n2c1ncn2)C	MCULE-1906147016,EMOLS-id_258184086	250.34	RQIJGRVPOSJVEF-POSLAHMBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028010
O=C(N1Cc2c(C1)cnn2C)CCNC(C)(C)C	EMOLS-id_279122159	250.34	VVAQGYUIDWGVBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028011
O=C(NC1CCn2c1ncc2)CCNC(C)(C)C	EMOLS-id_279121937	250.34	PDNYYLPRMMCZFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028012
O=C(Nc1nccs1)c1cc2c(s1)CCC2	PC-id_8762577,CoCoCo_3261079,ZINC22_7654654,EMOLS-id_24069658,MCULE-9740416911	250.34	MZWLUTVBSSYJKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028013
O=C(NCc1n[nH]c2c1CCC2)C(N)CC(C)C	PC-id_76433706	250.34	HIDJJHGLVNUTPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028014
O=C(N(C)C)Cn1ncc2c1CN(C2)C(C)(C)C	SCHEMBL19498099	250.34	TYBDERUNNOZVIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028015
CC(CCNC(=NCc1nnc2n1CCC2)N)C	PC-id_111039229	250.343	DRYOSLOMRHPEOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028016
CCCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020163	250.343	GVUBQYFIDMRYAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028017
CCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020269	250.343	WMZPTARNBGSSBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028018
CCC(NC(=NC)NCc1nnc2n1CCC2)C	PC-id_110945938	250.343	KLXNCXOFHXPMJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028019
CCNC(=NCc1nnc2n1CCC2)NC(C)C	PC-id_111125785	250.343	OUSXUPNTRQEYLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028020
CN=C(NCc1nnc2n1CCC2)NCC(C)C	PC-id_111020225	250.343	DZZYOKWFIFPCQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028021
CN=C(NC(C)(C)C)NCc1nnc2n1CCC2	PC-id_110967076	250.343	KQRRFQGSHXZWBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028022
O=C(c1sc2c(c1)CCC2)CC1CCOCC1	PC-id_114969231	250.357	NNSZJDKCDWPRKS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028023
O=C(c1sc2c(c1)CCC2)CCC1CCCO1	PC-id_114976943	250.357	BZCOCSGZWFHGCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028024
c1(c2CCCc2sc1N)C(=O)NC1CCCC1	EMOLS-id_3785138,MCULE-1170055009,PC-id_4467269,CoCoCo_6802074,TIMTEC362390,ZINC22_2558483	250.36	OPYOBZVFWWOIGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028025
CCC1CCc2c1c(C(=O)NC1CC1)c(s2)N	PC-id_116176034	250.36	GTDVYIXNTDRPIY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028026
CC(CC(=C)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_319104505	250.36	ZYSFERPINCXDDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028027
C=CCC(C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_315696944,PC-id_81776087	250.36	RBFNQRBQHRHXMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028028
C=CCNCC(=O)NCc1sc2c(c1)CCC2	PC-id_79279449,EMOLS-id_42146998	250.36	BYDIGEMVZRVHQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028029
C[C@H]1CNCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_302622661,PC-id_82704556,MCULE-5213157834	250.36	QERXOERBUNFFGW-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-028030
C[C@@H]1CNCCN1C(=O)c1sc2c(c1)CCC2	MCULE-3041198739,EMOLS-id_302587103,PC-id_82705631	250.36	QERXOERBUNFFGW-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028031
C[C@H]1NCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_81426273,EMOLS-id_301352680,MCULE-7725224500	250.36	RIOVSKROUQZUPF-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028032
C[C@@H]1NCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_81428344,EMOLS-id_302580163,MCULE-8592348176	250.36	RIOVSKROUQZUPF-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-028033
CCN(C(=O)c1sc2c(c1)CCC2)C1CNC1	PC-id_66181676,EMOLS-id_41767095	250.36	RAJVNJYNTNCQJQ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028034
CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_51185335,EMOLS-id_102374533	250.36	KCROAGWNLRDVKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028035
CNC1CCN(C1)C(=O)c1sc2c(c1)CCC2	MCULE-7098324431,EMOLS-id_302587085,PC-id_81466153	250.36	ZBGVCZBXWDOKEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028036
NC1CCN(C1C)C(=O)c1sc2c(c1)CCC2	MCULE-5907224074,EMOLS-id_71135936,PC-id_121685384	250.36	RKNIEKCEIZAWQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028037
NC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_43556179,MCULE-3547968387,EMOLS-id_37715733	250.36	AQXDBXAKYLQXEI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028038
NC1CN(CC1C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_71128415,PC-id_113832427,MCULE-3310178545	250.36	JNMFWJPMQHWLRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028039
NC(C1CC1)CNC(=O)c1sc2c(c1)CCC2	MCULE-3054247779,EMOLS-id_302023196	250.36	QFUISCZHJXUKPZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028040
NCC1(CC1)C(=O)NCc1sc2c(c1)CCC2	PC-id_115453084,EMOLS-id_314473510	250.36	DIIPYXBWEXCSSB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028041
NCC1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_301785301,PC-id_81483525,MCULE-8406211731	250.36	VXWNEODAINMXQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028042
NCC1(CNC(=O)c2sc3c(c2)CCC3)CC1	PC-id_112748868	250.36	SOGLJJHBPQTTMO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028043
NCC(C1CC1)NC(=O)c1sc2c(c1)CCC2	MCULE-2541668891,EMOLS-id_41073285,PC-id_65189098	250.36	GGXKBMFXKRKTMX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028044
N#CC(c1nc2c(s1)C(OC2(C)C)(C)C)(C)C	PC-id_103097266	250.36	DBXQVPVPMPOJDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028045
N[C@@H]1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_302633951,PC-id_113760201,MCULE-4275325336	250.36	MIPHFYMYIMRPOZ-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028046
NNC(c1sc2c(c1)CCC2)C1=CCCCO1	PC-id_102650296	250.36	JVDOMGASXPXSTD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-028047
NNC(c1sc2c(c1)CCC2)C1=COCCC1	PC-id_105333146	250.36	JCOZTSARIDGCTH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-028048
O=C1CCC(N1)CNCc1sc2c(c1)CCC2	PC-id_107529252	250.36	DTSZUUZHKJCBOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028049
O=C(C1CCCCC1)Nc1sc2c(CCC2)n1	ZINC22_6303229,MCULE-5279371779,EMOLS-id_43423056,PC-id_4091254	250.36	FQXHAOPKHRHBGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028050
O=C(c1c(N)sc2c1CCC2)N1CCCCC1	EMOLS-id_37577456,PC-id_4778154	250.36	CEAQYTJNTVKBPK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028051
O=C(c1c(N)sc2c1C(C)(C)CC2)NC1CC1	PC-id_79864013,EMOLS-id_42566885	250.36	ROVPKHHZBVTNOU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028052
O=C(C1(N)CCC1)NCc1sc2c(c1)CCC2	EMOLS-id_315616605,PC-id_81173226	250.36	CYDYPTOOGRFBAW-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028053
O=C(c1sc2c(c1)CCC2)N1CCNCCC1	EMOLS-id_37378272,PC-id_20112364,MCULE-6154465532	250.36	IYLVGMUNYIWJOZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028054
O=C(c1sc2c(c1)CCC2)NC1(C)CCNC1	PC-id_107422888	250.36	QSRNVRPUBXHOFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028055
O=C(c1sc2c(c1)CCC2)NC1CCNCC1	PC-id_43345736,MCULE-3507338219,EMOLS-id_37557629	250.36	WSIUSRCMWBIHNZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028056
O=C(c1sc2c(c1)CCC2)NCC1CCCN1	MCULE-5489089462,PC-id_55084531,EMOLS-id_39148751	250.36	PASHVKZYSXKXIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028057
O=C(c1sc2c(c1)CCC2)NCC1(N)CCC1	MCULE-3003044851,PC-id_113412019,EMOLS-id_302625476	250.36	BVXRMWPRFLSODL-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028058
O=C(c1sc2c(c1)CCC2)NCCNC1CC1	EMOLS-id_39263880,PC-id_62665278	250.36	TUVFNTZVSQQXLE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028059
O=C(c1sc2c(c1)CCC2)N[C@@H]1CCCNC1	MCULE-2677446038,EMOLS-id_302624722,PC-id_104645247	250.36	XPOLTPPMMWKGOJ-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028060
O=C(c1sc2c(c1)CCC2)N[C@H]1CCCNC1	MCULE-3967145450,PC-id_113341609,EMOLS-id_302002319	250.36	XPOLTPPMMWKGOJ-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-028061
O=C(CC1CCCC1)Nc1nc2c(s1)CCC2	CoCoCo_4164055,PC-id_24242367,MCULE-7872287813,EMOLS-id_17194206,ZINC22_25050751	250.36	LJYXHJLQPSBXRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028062
O=C(CC1CNC1)NCc1sc2c(c1)CCC2	EMOLS-id_40648305,PC-id_64611205	250.36	MUJXYTXEEPYHDD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028063
OC[C@H]1C=C[C@H](C1)NCc1sc2c(n1)CCC2	PC-id_109948720	250.36	DCMRELYTGSSUBX-VHSXEESVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-028064
O=C([C@H]1CCCN1)NCc1sc2c(c1)CCC2	PC-id_113264038	250.36	RMAYIKHWOBNPJB-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028065
O=C(NC1CC1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138721,PC-id_61207060	250.36	AVHFTARMKZDFEY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028066
O=C(N(C1CCNC1)C)c1sc2c(c1)CCC2	PC-id_63298062,EMOLS-id_39731469,MCULE-5352320057	250.36	QFEBOZIJDHIHTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028067
O=C(NCc1sc2c(c1)CCC2)CNC1CC1	PC-id_61208960,EMOLS-id_38138801	250.36	CMEBZULRGHUHSO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028068
s1c2c(CCC2)cc1CNC1CCN(C1=O)C	PC-id_64265410	250.36	DATBHEPJGTVYNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028069
s1c2c(CCC2)cc1CNC(=O)C1CCNC1	PC-id_55150429	250.36	QEGSRMNOUPKVSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028070
s1c2c(CCC2)cc1CNC(=O)C1NCCC1	PC-id_61208588	250.36	RMAYIKHWOBNPJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028071
s1c2c(CCC2)cc1CNC(=O)[C@H]1NCCC1	PC-id_61208401	250.36	RMAYIKHWOBNPJB-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-028072
s1c2c(CCC2)cc1C(=O)N1CC(CC1)CN	PC-id_62061441	250.36	ZCZMUIDNCAKGQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028073
s1c2c(CCC2)cc1C(=O)N1C(CNCC1)C	PC-id_62673467	250.36	QERXOERBUNFFGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028074
s1c2c(CCC2)cc1C(=O)N1CC(NCC1)C	PC-id_65450119	250.36	RIOVSKROUQZUPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028075
s1c2c(CCC2)cc1C(=O)N1CC(N)CCC1	PC-id_61297019	250.36	MIPHFYMYIMRPOZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028076
s1c2c(CCC2)cc1C(=O)NC1CCCNC1	PC-id_63320907	250.36	XPOLTPPMMWKGOJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028077
s1c2c(CCC2)cc1C(=O)NC1C(N)CCC1	PC-id_63251600	250.36	CKYTYYCUQQLTIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028078
s1c2c(CCC2)cc1C(=O)NCC1CCNC1	PC-id_80564345	250.36	SZWMKASBNQPVGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028079
s1c2c(CCC2)cc1C(=O)NN1CCCCC1	PC-id_9271449	250.36	NGBIWRZRCFQRGS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028080
s1c2c(C(CC2)C)c(C(=O)N2CCCC2)c1N	PC-id_65046595	250.36	KUZOJRCNGAGRHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028081
s1c2CCCc2nc1C(=O)CC1CCNCC1	PC-id_84737701	250.36	OPVWEXHZGQBXMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028082
Cc1sccc1C(c1sc2c(c1)CCC2)O	PC-id_102842441	250.38	GOLNLWPIPBMWSO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028083
Cc1scc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115807509	250.38	CILCDDTYPVKOGJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028084
s1c2c(CCC2)cc1C(O)c1sc(cc1)C	PC-id_61099485	250.38	QAIIRADQPOZXBE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028085
s1c2c(CCC2)cc1C(O)c1sccc1C	PC-id_61602366	250.38	NSRJHDHPEIOYPE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028086
s1c2c(CCC2)cc1C(O)Cc1ccsc1	PC-id_63016158	250.38	MLZBFCXWQIAAMB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028087
s1c2c(CCC2)cc1C(O)Cc1sccc1	PC-id_63018054	250.38	YFYUSMJKKHEIST-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028088
s1c(c2OCCc2c1C)Cc1sc(cc1)C	PC-id_23543578	250.38	APZNMIUWPRBDOU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028089
Cc1cscc1NCc1sc2c(n1)CCC2	PC-id_115888024	250.383	GUKRMVOAPIRTCI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028090
Cc1csc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_38138765,PC-id_61208391	250.383	SFOSLIHHABJIFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028091
CC(C(C(C)C)NC(c1nnc2n1CCC2)C)C	PC-id_112743202	250.383	JXQVBAYSMJGTLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028092
CC(CC(CNC(c1nnc2n1CCC2)C)C)C	PC-id_114200620	250.383	YBHSGQIPHIZZOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028093
CCCC(NC(c1nnc2n1CCC2)C)CCC	EMOLS-id_314087001,PC-id_43748127	250.383	MAKSFZFVPWJWTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028094
CC(CNCCCNCc1n[nH]c2c1CCC2)C	PC-id_104423947	250.383	BVONEICECJLRKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028095
CC(CNCC(NCc1n[nH]c2c1CCC2)C)C	EMOLS-id_314975087,PC-id_104397117	250.383	FSKIXNSNGSBYBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028096
CC(NCc1n[nH]c2c1CCC2)CNC(C)(C)C	PC-id_104396749,EMOLS-id_259952954	250.383	XYBNTFFKJZLXJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028097
CC(NCCCNCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_314752946,PC-id_113410410	250.383	VXHNMZWNTRYEFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028098
CCN(CCCNCc1n[nH]c2c1CCC2)CC	PC-id_104433299	250.383	GGYHLAAICHLFCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028099
CCN(CC(NCc1n[nH]c2c1CCC2)C)CC	PC-id_113408510,EMOLS-id_315019154	250.383	WOXNTBGWFJQCSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028100
CN(Cc1n[nH]c2c1CCC2)CCNC(C)(C)C	PC-id_104414066,EMOLS-id_315911178	250.383	XYWRRUJVWYTOIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028101
CN(Cc1n[nH]c2c1CCC2)CCNCC(C)C	PC-id_104414317,EMOLS-id_315908621	250.383	LXFZUQRRAACAKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028102
n12CCCc1nnc2C(NC(CCCCC)C)C	PC-id_43748026	250.383	GHKMEIJVLKQNBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028103
n12CCCc1nnc2C(NC(CCC(C)C)C)C	PC-id_43748111	250.383	MPGGHBYCJYFCAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028104
n12CCCc1nnc2C(NCCCCCCC)C	PC-id_43748120	250.383	NWCZVWFDUDSUJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028105
n12CCCc1nnc2C(NC(CCCC)CC)C	PC-id_63945143	250.383	QNVFXJFLERZATF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028106
n12c(nnc1CCC2)CCC(C(C)(C)C)CCN	EMOLS-id_314292811,PC-id_64358747	250.383	YRDHUMLHGXYBKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028107
N(Cc1sc2c(c1)CCC2)Cc1nccs1	EMOLS-id_39794844,PC-id_63378525	250.383	QZTJMRXKXQEEHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028108
NC(c1sc2c(c1)CCC2)Cc1nccs1	PC-id_105014922	250.383	WOYVSDFPQZHEHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028109
NC(c1sc2c(c1)CCC2)Cc1scnc1	PC-id_105030351	250.383	UFFCZUUHEZSYLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028110
N(Cc1sc2c(c1)CCC2)Cc1scnc1	PC-id_62758533,EMOLS-id_39341040	250.383	DSJYAAFCIISBPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028111
N(Cc1sc2c(n1)CCC2)Cc1cccs1	PC-id_115887230	250.383	PLDOCQTVMABKJL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028112
NNC(c1sc2c(c1)CCC2)c1cccs1	PC-id_105287529	250.383	WYFJQBGHGLRVCB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028113
NNC(c1sc2c(c1)CCC2)c1ccsc1	PC-id_105311980	250.383	ZVKAYLSQLASQQM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-028114
s1c2c(CCC2)cc1CNCc1ncsc1	EMOLS-id_38138611,PC-id_61207233	250.383	DGGBQLVLZVFNPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028115
s1c2CCCc2nc1CC(N)c1sccc1	PC-id_82066890	250.383	CUIBDWOIYGKALL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028116
s1c2CCCc2nc1C(N)c1sccc1C	PC-id_61345986	250.383	MGYWTHPOHPUESR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028117
s1c2CCCc2nc1C(N)c1sc(cc1)C	PC-id_61346412	250.383	MOQNHXXRWOXKHN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028118
s1c2CCCc2nc1C(NC)c1ccsc1	PC-id_61330573	250.383	BVJQBTQXOAIKSE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028119
s1c2CCCc2nc1C(NC)c1sccc1	PC-id_61346573	250.383	VFEUWJCGOMFLDM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028120
s1c2CCCc2nc1C(N)Cc1sccc1	PC-id_83309221	250.383	WGADPSZBCZFOOF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028121
s1ccc(c1)CNCc1sc2c(n1)CCC2	PC-id_115887275	250.383	RASUCCNEPCTVKM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028122
CC1CCC(CC1)C(c1sc2c(c1)CCC2)O	PC-id_115805210	250.4	XFPJZQRYMQVXTL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028123
CC1CCCC(C1)C(c1sc2c(c1)CCC2)O	PC-id_115808210	250.4	MNMFXXIKQXKUEA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028124
C=CCCCCCC(c1sc2c(c1)CCC2)O	PC-id_113904989	250.4	VJASYDOGSGVLLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028125
CCCCCCCC(=O)c1sc2c(c1)CCC2	PC-id_114966553	250.4	ZQRJWQCMQURTQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028126
OC(c1sc2c(c1)CCC2)C1CCCCCC1	PC-id_113664635	250.4	JEDFJEKNQINHLR-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-028127
OC(c1sc2c(c1)CCC2)CC1CCCCC1	PC-id_115786134	250.4	HWHCGBRVIIJIOA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028128
s1c2c(c(CCCCCCCC)c1)CCC2=O	PC-id_86224444	250.4	WLJXYGFCVWKLET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028129
C1CCC(NC1)CNCc1sc2c(c1)CCC2	PC-id_106633734	250.403	HFATTXJWQYKOMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028130
C1CCN(C1)CCNCc1sc2c(c1)CCC2	PC-id_104385015,EMOLS-id_315873788	250.403	RFBSXVNSAQDONN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028131
CC(C1CCSCC1)n1cc2C(C)CCc2n1	MCULE-5300974844,EMOLS-id_330999983	250.403	JSXGAAUBESHZRJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028132
CCC(c1sc2c(n1)CCC2)(NC1CC1)CC	EMOLS-id_38238538,PC-id_61335858	250.403	KCWZXVCBFHFABD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028133
CCCC(c1sc2c(n1)CCC2)(C1CC1)NC	PC-id_114276076	250.403	YNZFYVKKDVAFHU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028134
C(CNC1CC1)CNCc1sc2c(c1)CCC2	EMOLS-id_314869545,PC-id_104423351	250.403	VIWHMRIPCRTSLC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028135
CC(NCc1sc2c(c1)CCC2)CNC1CC1	PC-id_104396552	250.403	PRBVIRKDVSSUPC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028136
CCNC(c1sc2c(n1)CCC2)(CC1CC1)C	PC-id_113490149	250.403	OWVAHEQJBZMSQI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028137
CN1CCC(CC1)NCc1sc2c(c1)CCC2	PC-id_61207762,EMOLS-id_38138503	250.403	PRGZOBGXDUXEGZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028138
CN(Cc1sc2c(c1)CCC2)CCNC1CC1	PC-id_104413796,EMOLS-id_314492617	250.403	MVARFGGWVBPNAI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028139
CNC(c1sc2c(n1)CCC2)(CC1CCC1)C	PC-id_116224280	250.403	VLRMGTOVODVCCB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028140
N1CCC(CC1)CNCc1sc2c(c1)CCC2	PC-id_79708437,EMOLS-id_42467097	250.403	XGEHGZHVEKKIQG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028141
N1CCCC(CC1)NCc1sc2c(c1)CCC2	PC-id_113361536	250.403	ZMRYHVNWOXBCJN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-028142
NC1CCC(CC1)NCc1sc2c(c1)CCC2	PC-id_79741575,EMOLS-id_42485081	250.403	YVNXHAHJKTZQQC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028143
NNC(c1sc2c(c1)CCC2)C1CCCCC1	PC-id_105282036	250.403	RERVFKJPOSSXEV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028144
NNC(c1sc2c(c1)CCC2)CC1CCCC1	PC-id_105299047	250.403	XNLJTZHAZQHSOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028145
s1c2c(CCC2)cc1CNC1CCCN(C1)C	PC-id_81712980	250.403	SWAMLMNJLHNZAA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028146
s1c2c(CCC2)cc1CNCC1CCCNC1	PC-id_80555622	250.403	FJJONZJIILKJQJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028147
s1c(CNC2C(CCC2)CN)cc2c1CCC2	PC-id_65834532	250.403	KDUFJJYWMRVSJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028148
s1c(CNC2CC(N(C2)C)C)cc2c1CCC2	PC-id_81344545	250.403	UPYJGICGIJKYJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028149
s1c(CNC2CC(N)CCC2)cc2CCCc12	PC-id_79458307	250.403	BXXPRNGPLKYXQW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028150
s1c(nc2c1CCC2)CC1(CCCCC1)CN	PC-id_83309261	250.403	KJLUXSGAEKCDSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028151
s1c(nc2c1CCC2)C(NC1CC1)(C(C)C)C	PC-id_61333122	250.403	KQSBHLSDZBLXDA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028152
s1c(nc2c1CCC2)C(NC1CC1)C(CC)C	PC-id_61334491	250.403	CDLWPCHMELEGGD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028153
s1c(nc2c1CCC2)C(NC1CC1)C(C)(C)C	PC-id_61334492	250.403	BXMQYUMGDIIAJF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028154
s1c(nc2c1CCC2)C(NC1CC1)CCCC	PC-id_61334493	250.403	KKUZHYKSAZODGO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028155
s1c(nc2c1CCC2)C(NC1CC1)CC(C)C	PC-id_61335282	250.403	BDRUVRXYJZCJAJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028156
s1c(nc2c1CCC2)C(NC1CC1)(CCC)C	PC-id_61335663	250.403	SMGRICRSSWZABO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028157
s1c(nc2c1CCC2)C(N)(C1CCCCC1)C	PC-id_61330504	250.403	MIZHECAYLWRCOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028158
s1c(nc2c1CCC2)C(N)C1CCC(CC1)C	PC-id_65906007	250.403	SXGOYJJGERVHFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028159
s1c(nc2c1CCC2)C(N)C1CC(CCC1)C	PC-id_65924312	250.403	ITECXCCTALKVOS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028160
s1c(nc2c1CCC2)C(N)C1CCCCCC1	PC-id_65912474	250.403	IHORDBVFGJPVDO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028161
s1c(nc2c1CCC2)C(NC)(C1CCCC1)C	PC-id_62633751	250.403	MOHFNHFKOKJTMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028162
s1c(nc2c1CCC2)C(NC)C1CCCCC1	PC-id_61331166	250.403	CHJHTVATRYGVKT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028163
s1c(nc2c1CCC2)C(N)CC1CCCCC1	PC-id_80400670	250.403	VXJOIAKXCAPMFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028164
s1c(nc2c1CCC2)C(NCC)(C1CC1)CC	PC-id_64919319	250.403	KGKQBDGYAAAAHF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028165
s1c(nc2c1CCC2)C(NCC)(C1(CC1)C)C	PC-id_80289869	250.403	KNONWNQEXBSRNY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028166
s1c(nc2c1CCC2)C(NCC)C1CCCC1	PC-id_62071955	250.403	CMIZBWFYEIJZHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028167
s1c(nc2c1CCC2)C(NC(C)C)(C1CC1)C	PC-id_61335039	250.403	DUMVKGJDNBYUNX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028168
s1c(nc2c1CCC2)C(NCCC)(C1CC1)C	PC-id_61336157	250.403	HUVGHRFYTGLOIJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028169
s1c(nc2c1CCC2)C(NCCC)C1CCC1	PC-id_80487866	250.403	QXJCMWYETBGMQZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028170
s1c(nc2c1CCC2)C(NC(C)C)C1CCC1	PC-id_80487992	250.403	MNWZLEUSINZFMQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028171
S(c1n2c(c(c1CCCCC)C)CC(=N)C2)C	PC-id_57264229	250.403	XBKSVXGLMPNTJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028172
C=CC[Si@@]1(C)C[C@@](c2c1ccs2)(C)CC=O	PC-id_138981920	250.432	UCOFHYRUZXIEME-CJNGLKHVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028173
CC(=C1Sc2c(S1)sc(=S)s2)C	2221705_OpenMolecule,CT-id_2221705,PC-id_139076484	250.448	LRPDKUOQVPWSNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028174
Cc1sc2c(c1)C(C(=C2C)C)(C)[Si](C)(C)C	PC-id_101951420	250.475	JVEVFUWMWITKNR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-028175
c12CC(Cn1nc(CCl)c2C(=O)OC)(F)F	MCULE-5552330915,EMOLS-id_320439574	250.63	WFRUDMICWKPUEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028176
Clc1ccn(c(=O)c1)Cc1nnc2n1CCC2	MCULE-1385122228,EMOLS-id_320084671	250.684	IEEVCWHOUTUBQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-028177
Cn1ncc2c1CN(C(=O)c1cc(Cl)c[nH]1)C2	ZINC22_623233996	250.684	UEQKDMGHIRGDCB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-028178
Clc1n(nc2c1CCC2)Cc1ccc(F)cc1	PC-id_66015096	250.699	FWODHYNJYVANRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028179
Clc1n(nc2c1CCC2)Cc1cc(F)ccc1	PC-id_66016884	250.699	ZWTRTKSHQKXYHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028180
c1(Nc2ccc(cc2)Cl)sc2c(CCC2)n1	ZINC22_340143,SPECS-id_AG-205/37081046,EMOLS-id_8218526,MCULE-2242456259,PC-id_822671,CoCoCo_6889231	250.747	JYRHMOXYELCZFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028181
Clc1n(Cc2ccccc2)nc2c1CSC2	EMOLS-id_107789230,PC-id_83193431	250.747	SRCNLARVILIFSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028182
Clc1sc2c(c1)C(CC2)Nc1ccccn1	PC-id_115916953	250.747	WJTWXUOWGQLIRN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-028183
Clc1sc2CCC(Nc3cccnc3)c2c1	PC-id_81252463	250.747	NERADQCJNGPCAR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-028184
ClS(=O)(=O)CCc1cc2CCCc2s1	MCULE-8345545948,EMOLS-id_314019481	250.765	MDHZBNXRVQFVHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028185
CC1=CC2=C(N1)SI=C2	PC-id_164045345	250.927	VTUHVEURJPMKAX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-028187
CC1(C(=NO)N2C(=C(N=C2S1)Cl)Cl)C	PC-id_88703799,PC-id_152782366	250.969	HBXJSWUCHKAXNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028188
FC1(F)Cc2c(C=O)c(Br)nn2C1	EMOLS-id_320440341,MCULE-3802120131	251.028	BFBXWNDVRAVEIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028189
O=Cc1nn2c(c1Br)CC(C2)(F)F	SCHEMBL21315210,PC-id_139451380	251.028	CYYPCKNSCGNYMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028190
Brc1sc(c2OCOc12)C(=O)O	PC-id_12197948,SCHEMBL8538661	251.055	RWMUCWSCZCYSIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028191
CCn1nc(c2c1CCC2(F)F)Br	PC-id_105509103	251.071	SQNBPQRFLJMJDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028192
FC(F)Cn1nc2CCCc2c1Br	EMOLS-id_317869307,MCULE-7848471036	251.071	GKNITZSTXMHQSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028193
CCOC(=O)C1=C2CCCN2C(=C1)C(=O)C(=O)O	EMOLS-id_324190795,PC-id_154663324	251.079	YLDYJCQBCFHXHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028194
COC(=O)C1=C2CCCN2C(=C1)C(=O)C(=O)OC	PC-id_148361406,MCULE-7294618110,EMOLS-id_336519804	251.079	LKNFSBZMJWEBOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028195
Brc1c2CS(=O)(=O)Cc2oc1C	PC-id_84804008	251.098	YIQFDHYPMDAVBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028196
CC(C)(C)OC(=O)NCC1=CC2=C(C1)C=CS2	PC-id_160287809	251.098	HRKXOYHPDSBUDJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-028197
Brc1n(C)nc2c1CS(=O)(=O)C2	PC-id_105509121	251.101	UJBIASSYVZJBRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028198
Brc1nn(c2c1CS(=O)(=O)C2)C	PC-id_105509119	251.101	ZNTUHHQEHSHZSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028199
CCOC(=O)C1=NN2CC(OC2=C1)CCN=[N+]=[N-]	PC-id_153545694	251.102	JVHICOCVJPKQPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028200
C1CC2=C(C1)SC(=C2)NC(=O)N3CCNCC3	PC-id_164118932	251.109	YDSNVKLBVLNCBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028201
CCC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)[O-]	PC-id_160834348	251.115	SHFHCMIRPRATER-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-028202
BrC1=Cc2c(S1(=O)=O)ccs2	PC-id_119098658	251.121	ZVZKDDCIHWFEQL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-028203
ClC(Cl)C(=O)Nc1sc2CCCc2n1	PC-id_4121937	251.133	LTSXDNZEZBEMGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028204
CCCCCOCC(=O)NC1CCN2C1=CN=C2	MCULE-9700649404,PC-id_154765082,EMOLS-id_257940413	251.163	YJSWXWCSUFDSRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028205
c12CSCc1sc(CO)c2Br	MCULE-1322209424,EMOLS-id_330874178	251.164	TVWGOGBFRNUMMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028206
c1(CO)c2CSCc2sc1Br	MCULE-9539427103,EMOLS-id_331060523	251.164	OQVXVRMIUYBNRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028207
CC(C)N1C2=C(CNC2)C(=N1)CNC(=O)N(C)C	PC-id_154776355	251.175	JSNARBAEICBBNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028208
O=C(c1nn2c(n1)[C@@H](C[C@@H]2C)F)CC(F)(F)F	SCHEMBL20867525,PC-id_138515742	251.181	PMYQJHLPJDYOAW-CRCLSJGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028209
Cn1cc[n+]2c1[C@](O)(C(F)(F)F)[C@@H](C(=O)O)C2	PC-id_32357638,ZINC22_25047477	251.183	ZEGWPIVYFNJMBS-XRGYYRRGSA-O	00000010100000000001000010000000000000000000000000000000	25-01-028210
Cn1cc[n+]2c1[C@@](O)(C(F)(F)F)[C@@H](C(=O)O)C2	PC-id_32357656,ZINC22_25047491	251.183	ZEGWPIVYFNJMBS-SVGQVSJJSA-O	00000010100000000001000010000000000000000000000000000000	25-01-028211
Cn1cc[n+]2c1[C@](O)(C(F)(F)F)[C@H](C(=O)O)C2	ZINC22_25047470,PC-id_32357629	251.183	ZEGWPIVYFNJMBS-XNCJUZBTSA-O	00000010100000000001000010000000000000000000000000000000	25-01-028212
Cn1cc[n+]2c1[C@@](O)(C(F)(F)F)[C@H](C(=O)O)C2	ZINC22_25047484,PC-id_32357647	251.183	ZEGWPIVYFNJMBS-YLWLKBPMSA-O	00000010100000000001000010000000000000000000000000000000	25-01-028213
FC(F)(F)C1(O)C(Cn2c1[n+](cc2)C)C(=O)O	PC-id_42947683	251.183	ZEGWPIVYFNJMBS-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-028214
c12ccsc1C(CC2NC(=O)C(F)(F)F)O	PC-id_4519574,MCULE-6752108037,EMOLS-id_42973423	251.226	KGJRAZWPTPEPMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028215
O=C(N[C@@H]1C[C@H](O)c2sccc12)C(F)(F)F	PC-id_40650743,ZINC22_6886293	251.226	KGJRAZWPTPEPMC-RITPCOANSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028216
O=C(N[C@H]1C[C@@H](O)c2sccc12)C(F)(F)F	PC-id_40650746,ZINC22_6886296	251.226	KGJRAZWPTPEPMC-NTSWFWBYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028217
O=C(N[C@@H]1C[C@@H](O)c2sccc12)C(F)(F)F	ZINC22_6886294,PC-id_40650744	251.226	KGJRAZWPTPEPMC-PHDIDXHHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028218
O=C(N[C@H]1C[C@H](O)c2sccc12)C(F)(F)F	ZINC22_6886295,PC-id_40650745	251.226	KGJRAZWPTPEPMC-WDSKDSINSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028219
OC(=O)C1CCc2c1nc(s2)CC(F)(F)F	PC-id_104287226,EMOLS-id_314803893	251.226	QCJJXHFTLUJRMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028220
c1(NC(=O)C(F)(F)F)n(C)nc2CSCc12	MCULE-6929368697,EMOLS-id_334561972	251.229	CLJQAWUYVBDRIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028221
Fc1cc(OCc2nnc3n2CCC3)cc(c1)F	MCULE-2713273705,EMOLS-id_320099750	251.232	WSSLBWKBINQKBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028222
Cc1c(n2CCCc2c1C(=O)C(=O)O)C(=O)OC	SCHEMBL19900933,PC-id_134285220	251.235	QVSGBODSKGJQJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028223
COC(=O)C[C@H]1[C@@H](C(=O)n2c1ccc2)C(=O)OC	PC-id_134860396	251.235	JYXNLZYUFFGJLV-XCBNKYQSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028224
COC(=O)C(=O)c1c(C)c(c2n1CCC2)C(=O)O	PC-id_139434835,SCHEMBL21296664	251.235	AYUCEUIZLYDKAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028225
Cn1ncc2C(N(Cc12)C(=O)OCC=C)C(=O)O	EMOLS-id_331253760	251.239	QMMBHLJAJOAAMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028226
COC(=O)/C=C/CNC(=O)c1cnn2c1OCC2	ZINC22_2325812172	251.239	OGMFGQFAAZRCKI-NSCUHMNNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028227
OC(=O)c1c(NC(=O)OCC=C)nc2CCCn12	EMOLS-id_331253250	251.239	XOUHCNZWIYCDRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028228
c12CN(Cc1nn(CCF)c2C#C)C(=O)OCC	MCULE-1883685448,EMOLS-id_324360033	251.257	JREWVVIUTDBLPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028229
s1c2CC(Cc2cc1C(=O)O)(C(=O)OC)C#N	PC-id_6424814	251.258	MICVXYWLTJMNME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028230
OC(=O)c1coc(n1)Nc1sc2c(n1)CCC2	PC-id_104113601	251.262	GWBPEULXRCVDCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028231
S1Cc2c(noc2NC(=O)c2noc(c2)C)C1	PC-id_45505366	251.262	UWSXBZWDLSXZKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028232
O=C(c1nonc1N)Nc1sc2c(n1)CCC2	EMOLS-id_38517375,PC-id_61699907	251.265	TUTKLZIXFIUQRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028233
CCc1c(CC)c(c2n1CCC2C(=O)O)C(=O)O	PC-id_145776403	251.278	BKRRWJUSGWXWEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028234
CCc1c(CC)cc2n1CCC2(C(=O)O)C(=O)O	PC-id_54112681,SCHEMBL9087701	251.278	NIEREJWBWBAUPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028235
CCC1(C(CC)Cn2c1c(cc2)C(=O)O)C(=O)O	PC-id_70391639,SCHEMBL10550191	251.278	LNJIYTJAKIRLMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028236
CCC1(CC)Cn2c(C1(C(=O)O)C(=O)O)ccc2	PC-id_67768993,SCHEMBL9087698	251.278	ANTHOQNWGGFMSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028237
CC(c1oc(c2c1C(=O)N(C2=O)O)C(C)(C)C)C	SCHEMBL20091322,PC-id_134454977	251.278	HQKJZUUFXOUXDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028238
CCCCOC(=O)C1CCn2c1c(cc2)C(=O)O	SCHEMBL10816394,PC-id_20253969	251.278	IQZBEMKLLDOMQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028239
CC(C)(C)OC(=O)n1cc2CC(Cc2c1)C(=O)O	EMOLS-id_31420629,PC-id_15814436,SCHEMBL7816637,MCULE-7819548844	251.278	DOHVKLVBXFLLGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028240
CCOC(=O)C1(CCn2c1ccc2)C(=O)OCC	SCHEMBL9091130,PC-id_10705887	251.278	POPBQQYHMNHOHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028241
CCOC(=O)C1CCn2c1c(cc2)C(=O)OCC	SCHEMBL9674704,PC-id_23045730	251.278	LIHGLELPJRJDTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028242
CC(OC(=O)C1CCn2c1c(C(=O)O)c(c2)C)C	SCHEMBL10818169,PC-id_12795091	251.278	PVQHCKHYWJDGBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028243
o1c2CCN(c2cc1C(=O)C)C(=O)OC(C)(C)C	PC-id_82382571	251.278	WEHZXGNFBCRRSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028244
o1c2CN(Cc2cc1C(=O)C)C(=O)OC(C)(C)C	PC-id_82382570	251.278	TUGDSONYTJLWSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028245
O(C1(CCc2c1[nH]c(c2)C(=O)OCC)C)C(=O)C	PC-id_57659897	251.278	QXLNFHCVFHQNBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028246
OCC1(O)CCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_319641006	251.278	IZRLAEPSAORJJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028247
O(C(C)(C)C)C(=O)N1Cc2c(C1)coc2C(=O)C	PC-id_82382572	251.278	ULIOTSBIPYUEDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028248
O[C@@H]1CC(C[C@@H]1O)NC(=O)c1occ2c1CCC2	EMOLS-id_320206685	251.278	INUDKWICDVVAGU-UQPYNNQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-028249
O[C@@H]1C[C@@H](C[C@@H]1O)NC(=O)c1occ2c1CCC2	EMOLS-id_318957676	251.278	INUDKWICDVVAGU-GUDFOSOFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028250
O[C@@H]1C[C@H](C[C@@H]1O)NC(=O)c1occ2c1CCC2	MCULE-9269177704,EMOLS-id_320208202	251.278	INUDKWICDVVAGU-UIKWRGBMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028251
O(C(=O)C1CCn2c1c(cc2C)C(=O)O)C(C)C	PC-id_12795095	251.278	KEGAXGWUDUPOQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028252
O(C(=O)C1(CCn2c1ccc2)C(=O)OC)C(C)C	PC-id_10354776	251.278	GJMOLLDORLWFRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028253
O(C(=O)c1n2CC(Cc2cc1C(=O)OC)(C)C)C	PC-id_10977909	251.278	LRRPVIHCUCZQPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028254
C1CS(=O)c2c1[nH]nc2Nc1cc(ccc1)F	SCHEMBL15088492,PC-id_89672749	251.28	LECGZSOCQKVCTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028255
c12CN(Cc1nn(CC1CCC1)c2O)C(=O)OC	MCULE-2388608165,EMOLS-id_324340840	251.282	NPSNRJFHOFYLAD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028256
c12CN(Cc1nn(C(C)(C)C)c2C=O)C(=O)OC	MCULE-7533103769,EMOLS-id_324347239	251.282	JLZABEKBLPAAMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028257
c1(c2CCCc2[nH]n1)C(=O)N1CCOCC(O)C1	PC-id_70718292,MCULE-2322443939,EMOLS-id_43562773	251.282	KQUDWIVVNNEZLA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028258
C1Cc2c(C1)[nH]nc2C(=O)NC1COCCC1O	PC-id_91780788	251.282	CPBQWNVLYNIKDO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028259
c1(C(=O)N)c2C(C)CCc2n(CC(=O)OCC)n1	MCULE-9020941689,EMOLS-id_331038979	251.282	DYVSDGJRKCZEOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028260
c1(C(=O)NCCCC(=O)OC)c2CCCc2[nH]n1	EMOLS-id_323258552,MCULE-7431563119	251.282	IYHUDBPQEWVEQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028261
c1(C(=O)N(C)CC(=O)OCC)c2CCCc2[nH]n1	MCULE-7601045078,EMOLS-id_334736590	251.282	MGOKGBXZBGXBEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028262
c1(C(=O)N[C@@H]2COCC[C@H]2O)c2CCCc2[nH]n1	MCULE-9477498740,ZINC22_220708839,EMOLS-id_55662147	251.282	CPBQWNVLYNIKDO-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028263
Cc1c2n(CCO2)nc1C(=O)N1CCC(CC1)O	PC-id_91959956	251.282	ZEXJPAJGAUTUJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028264
Cc1c2n(CCO2)nc1C(=O)NCC1CCCO1	PC-id_91959958	251.282	JIKCSRITDZPHNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028265
CC1CN(CC(O1)C)C(=O)c1nn2CCOc2c1	PC-id_91959864	251.282	MQPMPJQRTJCLJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028266
CC1OCCC1(C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99596658	251.282	GLYBXBMTRNWIAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028267
CC(C1COCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99572059	251.282	ASJMXXWOFTVCSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028268
CCC1COCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_99577033	251.282	YSQVLMOTLWRJFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028269
CCC1(O)CCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99608068	251.282	DKWUURRKRRREFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028270
CCCC(C(=O)O)NC(=O)c1cnn2c1CCC2	EMOLS-id_72507338,MCULE-7904712361,PC-id_121898781	251.282	HUJRICHBPCSZAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028271
CC([C@H](C(=O)O)NC(=O)c1cnn2c1CCC2)C	MCULE-4013069438,PC-id_121898031,EMOLS-id_72506182	251.282	OGODQRUESVKOHO-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028272
CC([C@@H](C(=O)O)NC(=O)c1cnn2c1CCC2)C	PC-id_121897656,MCULE-1844711671,EMOLS-id_72505456	251.282	OGODQRUESVKOHO-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-028273
CCCN(C(=O)c1cnn2c1CCC2)CC(=O)O	MCULE-4701415986,PC-id_121898800,EMOLS-id_72507360	251.282	QMDYUANKQMLHJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028274
CCOC(=O)c1nn2C(CC(c2n1)O)CC1CC1	SCHEMBL20641122,PC-id_137408338	251.282	MQHXGOXQNVJQEG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028275
CCOC(=O)Cn1nc2CCC(C)c2c1C(=O)N	EMOLS-id_330960833,MCULE-5215250350	251.282	BXQRBXMPGDTANT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028276
CN(C(=O)c1nn2c(c1)OCC2)CC1(O)CCC1	EMOLS-id_99603916	251.282	VVCGHHJSNRDZRX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028277
CN(C(=O)c1nn2c(c1)OCC2)C[C@H]1CCCO1	EMOLS-id_99597915	251.282	STCYMUCZJZNHSA-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028278
CO[C@@H]1COC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101528577	251.282	HKRWRPFLWZVKOS-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028279
O1CCN(Cc2[nH]c3CCC(c3n2)C(=O)O)CC1	PC-id_84010905	251.282	AXKIUOWXBAPCLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028280
OC1CCC(C1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_99607300	251.282	QROPOBYOMXQVSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028281
OC1CCC(CC1)NC(=O)c1cc2n(n1)CCO2	PC-id_100815414	251.282	BJXQOAAHQHXDNH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028282
OC1CN(C(C1)(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_320273253,MCULE-4315722047	251.282	VZXFGLVPKCBMRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028283
O=C(c1cc2n(n1)CCO2)NC1(C)CCCOC1	EMOLS-id_100523958	251.282	SLSBVCWJICJAKB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028284
O=C(c1cc2n(n1)CCO2)NCC1CCCOC1	EMOLS-id_99547889	251.282	IHHONROHJSUOJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028285
OCC1(COCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111074060	251.282	FWUDZAVUBFGZIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028286
O=C(C1COCCO1)Nc1n(C)nc2c1CCC2	EMOLS-id_110216722	251.282	PUOXUZUBRQWGHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028287
O=C(C1COCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319588505	251.282	OBINKMNXVPXXHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028288
O=C(c1nn2c(c1)OCC2)NC1(C)CCOCC1	EMOLS-id_99801368	251.282	SPJQDHMZWUAGJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028289
O=C(c1nn2c(c1)OCC2)NCC1CCCCO1	EMOLS-id_99562090	251.282	UFXNDVNJPMIXDG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028290
O=C(c1nn2c(c1)OCC2)NCC1(C)COCC1	EMOLS-id_99581981	251.282	LZXXBDOKWQYLCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028291
O=C(c1n[nH]c2c1CCC2)N1C[C@H](O)C[C@H]1CO	PC-id_139008001,MCULE-2868216298,EMOLS-id_320389439,ZINC22_359550344	251.282	GUEDDIDKQZXSRH-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028292
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H](O)C1	PC-id_96368924,ZINC22_77323400	251.282	KQUDWIVVNNEZLA-MRVPVSSYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028293
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H](O)C1	ZINC22_77323403,PC-id_96368925	251.282	KQUDWIVVNNEZLA-QMMMGPOBSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028294
O=C(c1n[nH]c2c1CCC2)NCC1COCCO1	EMOLS-id_98242396	251.282	LHKCDSBCTIOVBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028295
O=C(c1n[nH]c2c1CCC2)NCC1(O)COCC1	EMOLS-id_110363815	251.282	QHAQPCBLSJLZGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028296
OCC1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110401268	251.282	VFQVFDUJWHYQAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028297
OCCC1CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_100535316	251.282	FLOORFWSCYQEIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028298
O=C(CC1OCCO1)NCc1cnc2n1CCC2	EMOLS-id_318839950	251.282	DDRDVGMSWKCRBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028299
O=C(CC1OCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319142550	251.282	MTSMQXOWDKTYQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028300
O(C(C)(C)C)C(=O)N1Cc2c(nn(c2C=O)C)C1	PC-id_83866802	251.282	ICGLVWDEOWGLGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028301
O(C(C)(C)C)C(=O)N1Cc2n(nc(c2C1)C=O)C	PC-id_83866822	251.282	UPLUOUKXDKVEQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028302
OC[C@@H]1COCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_319071630	251.282	AFMLMJRMIJFPQU-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028303
OC[C@@H]1COCCN1C(=O)c1nn2c(c1)CCC2	EMOLS-id_318961988	251.282	SUTBWYPGLZZHBB-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028304
OC[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319663118	251.282	XITPGMDAUCQLKX-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028305
O[C@@H]1CC(C[C@@H]1O)NC(=O)c1cnn2c1CCC2	EMOLS-id_320163357	251.282	OTMREEOMSYODMN-ZSNLRNAZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028306
O[C@@H]1CC(C[C@@H]1O)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319698740	251.282	ZRCDICVCYKYLNP-ZSNLRNAZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028307
O[C@@H]1CC(C[C@@H]1O)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319820579	251.282	VALSFSQQOSKZOU-VYCNMEMJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028308
O[C@@H]1C[C@H](C[C@@H]1O)NC(=O)c1cnc2n1CCC2	EMOLS-id_319496281	251.282	FRRWBORRKGANPU-SLGCYQGISA-N	00000010100000000001000010000000000000000000000000000000	25-01-028309
O[C@@H]1C[C@@H](C[C@@H]1O)NC(=O)c1cnc2n1CCC2	EMOLS-id_319963378,MCULE-3123100346	251.282	FRRWBORRKGANPU-LETLQTKMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028310
O[C@@H]1C[C@@H](C[C@@H]1O)NC(=O)c1cnn2c1CCC2	EMOLS-id_319867908	251.282	OTMREEOMSYODMN-FJPPDTINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028311
O[C@@H]1C[C@@H](C[C@@H]1O)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319303220	251.282	ZRCDICVCYKYLNP-FJPPDTINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028312
O[C@@H]1C[C@H](C[C@@H]1O)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319696151	251.282	VALSFSQQOSKZOU-JDBBZGQPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028313
O=C(N[C@H]1COCC[C@@H]1O)c1n[nH]c2c1CCC2	ZINC22_1201242500	251.282	CPBQWNVLYNIKDO-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028314
s1c2CCC(c2nc1NC(=O)C1CC1)C(=O)[O-]	PC-id_75692193	251.282	MYMJWPGYKCOHTM-UHFFFAOYSA-M	00100010100000000001000010000000000000000000000000000000	25-01-028315
s1c2CC[C@@H](c2nc1NC(=O)C1CC1)C(=O)[O-]	PC-id_52194717	251.282	MYMJWPGYKCOHTM-LURJTMIESA-M	00100010100000000001000010000000000000000000000000000000	25-01-028316
s1c2CC[C@H](c2nc1NC(=O)C1CC1)C(=O)[O-]	PC-id_52194719	251.282	MYMJWPGYKCOHTM-ZCFIWIBFSA-M	00100010100000000001000010000000000000000000000000000000	25-01-028317
c1(C(=O)c2ccccc2)c(N)c(c2CCCn12)C#N	STOCK1S-64394,SPECS-id_AH-262/34641060,CoCoCo_596778,CK1374824,PC-id_741280,ZINC22_179150,EMOLS-id_2012386,MCULE-1386550260	251.283	FBXJWKUKZNYWEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-028318
CC(=O)N1Cc2c(C1)c([nH]n2)C#Cc1ccccc1	SCHEMBL5720872,PC-id_10377476	251.283	FSSLSSPVCUDFOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028319
CNc1cccc(n1)C#Cc1cc2n(c1)CCC2=O	PC-id_71117295,SCHEMBL14248604	251.283	NMTWFERIQMYCKX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-028320
O=C1C(Cn2c1cc(c2)C#Cc1nc(N)ccc1)C	PC-id_71491704	251.283	GNGWVOXQXSCAJA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-028321
O=C(c1c2n(CCC2)c(c1N)C#N)c1ccccc1	PC-id_85628400	251.283	BBJMARHQPXKPOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-028322
O=C(c1c(n2c(CCC2)c1C#N)N)c1ccccc1	PC-id_23937801	251.283	WYQOESSDZCQWCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-028323
CNC(=O)NCCNC(=O)c1cn2c(n1)CCC2	EMOLS-id_278927916	251.285	MQWLUOPSFKZYRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028324
CO/N=C(/c1nc2c(n1CC)CNC2)N(C=O)C	PC-id_144979536	251.285	ODMPIAZNPRNAFS-KAMYIIQDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028325
NC(=O)C1N(Cc2c1c[nH]n2)C(=O)N(C(C)C)C	EMOLS-id_319412071	251.285	DKKOKXCVWXBCEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028326
O=C(N1NCCOCC1)NC1CCn2c1ncc2	EMOLS-id_279152394	251.285	PKVHSQPWWSILAF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028327
O=C(N(Cc1n2CCCc2nn1)C)CNC(=O)C	PC-id_60445459	251.285	HIBLQSLNTBVSCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028328
O=C(NCCc1n2CCCc2nn1)CNC(=O)C	PC-id_60445437	251.285	YBXTUCHXCGCAEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028329
n12ncnc1sc(=CNc1sccn1)c2=O	MCULE-8488427989	251.288	FDXWMXPQKOSEOA-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-028330
O=c1/c(=C/Nc2nccs2)/sc2ncnn12	PC-id_117588265,ZINC22_256055388	251.288	FDXWMXPQKOSEOA-HYXAFXHYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-028331
CCCC[C@@H]1C[C@@H](c2n1nc(n2)C(=O)C1CC1)F	SCHEMBL20867623,PC-id_138515826	251.3	TZMNTVPTDWPPDW-ZJUUUORDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028332
FC1CCCC(C1)C(=O)Nc1nn2c(c1)CCC2	PC-id_146105905,MCULE-7774987304,EMOLS-id_324064622	251.3	UNPGWZAEEWAKJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028333
FCC1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319091555	251.3	BXCIDBOHUAJJNE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028334
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)(C)F	EMOLS-id_102800480	251.3	RARRKOOWVHWNIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028335
O=C(N=c1cc2n([nH]1)CCC2)[C@@H]1CCC[C@@H](F)C1	ZINC22_1857527746	251.3	UNPGWZAEEWAKJG-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028336
O=C(N=c1cc2n([nH]1)CCC2)[C@H]1CCC[C@H](F)C1	ZINC22_1857527747	251.3	UNPGWZAEEWAKJG-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028337
O=C(N=c1cc2n([nH]1)CCC2)[C@H]1CCC[C@@H](F)C1	ZINC22_1857527748	251.3	UNPGWZAEEWAKJG-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028338
O=C(N=c1cc2n([nH]1)CCC2)[C@@H]1CCC[C@H](F)C1	ZINC22_1857527749	251.3	UNPGWZAEEWAKJG-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028339
CC=CC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_315433263,PC-id_112727170	251.302	BGTYTVJWWONBLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028340
C=CCC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_39278508,PC-id_62685667	251.302	AEHBKESRKPDCIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028341
C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_43423008,EMOLS-id_37369636	251.302	KDLVJGDGTAXIRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028342
O=C=C1N(Cc2c1scc2)C(=O)OC(C)(C)C	PC-id_141432083	251.302	PQMXOMKNRIDYLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028343
O=C(c1sc2c(c1)CCC2)N1CC(C1)C(=O)O	EMOLS-id_40390436,PC-id_64254317	251.302	XVMWZPAWUFROGF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028344
CC(=C)C1Cn2c(C1)ccc2C(=O)c1ccccc1	PC-id_144564562	251.323	CKAWESBYPVLRNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-028367
O=C(NC1(C(=O)O)CC1)c1cc2c(s1)CCC2	PC-id_65453623,ZINC22_95961386,MCULE-3789134449,EMOLS-id_48749389	251.302	HMCRNOYPLJBCDV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028345
O=C(NCc1sc2c(c1)CCC2)/C=C/C(=O)O	PC-id_112497693	251.302	LQOLZPQBOBYPPF-SNAWJCMRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028346
O=C(NCc1sc2c(c1)CCC2)C=CC(=O)O	PC-id_61206671,EMOLS-id_38138603	251.302	LQOLZPQBOBYPPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028347
O=C(O)c1c(NC(=O)C2CC2)sc2c1CCC2	CoCoCo_3691109,ZINC22_2646161,MCULE-6698794104,EMOLS-id_3216166,PC-id_2109208	251.302	KPAPECLGCAJSIC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028348
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C=C2	PC-id_141560801	251.303	ZTYNUPFMBCKWAV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-028349
Cc1nn(C(=S)N)c2OC(COCC#C)Cc12	EMOLS-id_1197035,MCULE-5538578699,BAS-00333751,STOCK2S-96217,PC-id_3100705	251.305	IHQYKNXHHAGNJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028350
C#CCOC[C@@H]1Cc2c(C)nn(C(=S)N)c2O1	CoCoCo_42812,ZINC22_1887610,PC-id_1628851	251.305	IHQYKNXHHAGNJB-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028351
C#CCOC[C@H]1Cc2c(C)nn(C(=S)N)c2O1	ZINC22_1887609,PC-id_1628850,CoCoCo_42811	251.305	IHQYKNXHHAGNJB-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028352
CNC/C=C/1C(=O)Nc2c1cc(s2)C(=O)NC	PC-id_142105688	251.305	PVOBGBXALGPKJM-UTCJRWHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-028353
C(=O)(Nc1sc2CCCc2c1C#N)[C@H](CO)N	MCULE-3376011479,EMOLS-id_327903289	251.305	XDJQLIUGOJHOEW-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028354
N#CCCN(c1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_315133662,PC-id_104287766	251.305	OICOFGNCXOLDRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028355
s1c2CCCc2nc1NC1CC(=O)N(C1=O)C	PC-id_54962494	251.305	XVUGKKNLOYNHBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028356
s1c2CCCc2nc1NC(=O)C1CNC(=O)C1	PC-id_78981509	251.305	JAXHLCOSGWAIHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028357
c12SCCn1cc(CNc1nnc(CC)o1)n2	EMOLS-id_46050225,PC-id_72872637,ZINC22_91563177,MCULE-7999678073	251.308	AARYKEMUEMNMHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028358
C[C@@H]1NC(=S)N(Cc2nnc3n2CCC3)C1=O	ZINC22_12985546,PC-id_25649875,CoCoCo_4752508	251.308	VDSNDKTUDYXDQW-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-028359
C[C@H]1NC(=S)N(Cc2nnc3n2CCC3)C1=O	ZINC22_12985548,CoCoCo_4752507,PC-id_25649876	251.308	VDSNDKTUDYXDQW-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028360
CCOc1nnc(s1)CN1CCn2c1ncc2	EMOLS-id_316981407	251.308	ISFPEJPCDDPOOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028361
O=C1NCCN1/N=Cc1c(C)nc2n1CCS2	PC-id_97464836	251.308	YXYROJZQVDBRDH-SDQBBNPISA-N	00000010100000000001000010000000000000000000000000000000	25-01-028362
S1c2n(CC1)c(c(n2)C)/C=N/N1CCNC1=O	PC-id_50878409	251.308	YXYROJZQVDBRDH-WUXMJOGZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028363
S1c2n(CC1)c(c(n2)C)C=NN1CCNC1=O	PC-id_75572677	251.308	YXYROJZQVDBRDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028364
S=C1N(Cc2n3CCCc3nn2)C(=O)C(N1)C	EMOLS-id_24088771,PC-id_42890428,MCULE-8933200963	251.308	VDSNDKTUDYXDQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028365
C/C=C
/Cn2c(C1CC(=O)c1ccccc1)ccc2	PC-id_102092380	251.323	WSVGECSYQYACJZ-SILLCRNTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-028366
O=C(c1n2c(C(CC2)CC=C)cc1)c1ccccc1	PC-id_71324281	251.323	GJJVVWQYMGTABH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-028368
c12CN(Cc1nn(C(C)C)c2)C(=O)OC(C)(C)C	MCULE-5454394385,EMOLS-id_324339042	251.325	LAQXROWMFNJMIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028369
c1(C(=O)N(CCCC)CCO)c2CCCc2[nH]n1	MCULE-8823837291,PC-id_110898835,EMOLS-id_334750918	251.325	OUZCRYQTRUHCNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028370
c1(C(=O)NCCCOC(C)C)c2CCCc2[nH]n1	MCULE-8594440252,EMOLS-id_323258290	251.325	DQTSTGBDNLSDMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028371
c1(C(=O)NCCOC(C)C)c2CCCc2n(C)n1	EMOLS-id_320481294,MCULE-9739087496,PC-id_84466290	251.325	ZWWRVAGLBQOBRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028372
c1(C(=O)NC(CO)C(C)CC)c2CCCc2n[nH]1	EMOLS-id_54884004,MCULE-4435298174,PC-id_91823692	251.325	DSLDYSDARFJUFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028373
c1(C(=O)N[C@H](CO)CC(C)C)c2CCCc2[nH]n1	EMOLS-id_323259063,MCULE-7107621779	251.325	MRIBHNXXGLXILD-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-028374
c1(C(=O)N[C@H](CO)[C@H](C)CC)c2CCCc2[nH]n1	EMOLS-id_55725516,MCULE-6457755639,STOCK7S-53701,PC-id_110204504,ZINC22_252483014	251.325	DSLDYSDARFJUFK-LDYMZIIASA-N	00000010100000000001000010000000000000000000000000000000	25-01-028375
c1(C(=O)O)c2C(C)CCc2n(CCCN(C)C)n1	EMOLS-id_330985723,MCULE-7784782737	251.325	UHVHXTXNSNELIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028376
c1(C(=O)O)c2C(C)CCc2nn1CCCN(C)C	EMOLS-id_330970044,MCULE-7799683147	251.325	UBNIHKKIRAIWES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028377
c1(C(=O)OC)c2C(C)CCc2n(CCN(C)C)n1	MCULE-5081965503,EMOLS-id_330994673	251.325	KKANPLKJKPASEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028378
c1(C(=O)OC)c2C(C)CCc2nn1CCN(C)C	EMOLS-id_330977714,MCULE-7184198402	251.325	LVFGTVITVFVAJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028379
c1(C(=O)OCC)c2C(C)CCc2n(CCCN)n1	MCULE-6104533799,EMOLS-id_330999032	251.325	QTGSGWMCLPLJDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028380
c1(C(=O)OCC)c2C(C)CCc2nn1CCCN	MCULE-3189401032,EMOLS-id_330984888	251.325	BHHQETSMZWRVIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028381
c1(C(=O)OC(C)(C)C)c2CNCc2nn1CCC	EMOLS-id_324345954,MCULE-1567458014	251.325	KZPJOITYIWZONJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028382
CC1CC(c2n1ccn2)NCC1(O)CCOC1C	EMOLS-id_98849518	251.325	MGINGVQYMZPVIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028383
CC(C)C(C)(CNC(=O)c1n[nH]c2c1CCC2)O	MCULE-3193285385,EMOLS-id_316916809,PC-id_136529176	251.325	UYLVRPNQDNCWBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028384
CC(C(CCNC(=O)c1n[nH]c2c1CCC2)O)C	PC-id_111461428	251.325	GBEVZWVTHYIILV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028385
CCC(C(CNC(=O)c1n[nH]c2c1CCC2)O)C	PC-id_112296511	251.325	QVAXKSOXVFBTFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028386
CC(CC(CNC(=O)c1n[nH]c2c1CCC2)O)C	PC-id_112297963	251.325	RIQUGLVSGCGCEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028387
CC(C)[C@](C)(O)CNC(=O)c1n[nH]c2c1CCC2	ZINC22_331459564	251.325	UYLVRPNQDNCWBX-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028388
CC(C)[C@@](C)(O)CNC(=O)c1n[nH]c2c1CCC2	ZINC22_331459566	251.325	UYLVRPNQDNCWBX-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028389
CCC(C(C(=O)N1Cc2c(C1)cnn2C)O)(C)C	EMOLS-id_316640210	251.325	IQYMUIDFQSVCOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028390
CCC(C(C(=O)NC1CCn2c1ncc2)O)(C)C	EMOLS-id_319305778	251.325	XATJSJCNZOWECS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028391
CCC(CNC(=O)c1n[nH]c2c1CCC2)(CC)O	PC-id_111483508	251.325	AQRSWBBTAJXMSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028392
CC(C(C(=O)NCc1cnc2n1CCC2)(O)C)C	EMOLS-id_319342328	251.325	BUYIYKKPCRGAQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028393
CCC(C(=O)NCc1n[nH]c2c1CCC2)(OC)C	EMOLS-id_319180649	251.325	HNUFAZZDVKKXTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028394
CC(C(C(=O)NCc1n[nH]c2c1CCC2)(O)C)C	EMOLS-id_319310731	251.325	IWESZJHXQDFHBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028395
CC[C@H](C)[C@@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC22_252483011	251.325	DSLDYSDARFJUFK-GZMMTYOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028396
CC[C@@H](C)[C@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC22_252483012	251.325	DSLDYSDARFJUFK-KCJUWKMLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028397
CC[C@H](C)[C@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC22_252483013	251.325	DSLDYSDARFJUFK-KWQFWETISA-N	00000010100000000001000010000000000000000000000000000000	25-01-028398
CCCn1cc2C(NCc2n1)C(=O)OC(C)(C)C	MCULE-5879219558,EMOLS-id_259640492	251.325	MOXCMCQASSYBSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028399
CC(C)n1cc2C(NCc2n1)C(=O)OC(C)(C)C	MCULE-8510231999,EMOLS-id_259640489	251.325	HRYOKWGDYKUONB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028400
CC(C(=O)N1Cc2c(C1)cn(n2)CC(O)(C)C)C	SCHEMBL16219025,PC-id_117684386	251.325	HUYQGIBVKLQKRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028401
CCn1c(C)nc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_118614461,SCHEMBL17380735	251.325	NUQXDOJDVIFPGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028402
CN([C@@H]1COC[C@H]1O)Cc1n(C)nc2c1CCC2	EMOLS-id_318975203	251.325	BJVCSJPQZFJRKH-CHWSQXEVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028403
COC1(OC)CC(C1)NCc1cnn2c1CCC2	MCULE-1679484139,EMOLS-id_320317041	251.325	LOEKDNKATAZXII-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028404
COC1(OC)CC(C1)NCc1nn2c(c1)CCC2	EMOLS-id_319732092	251.325	DVZRTCAPFPAKGU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028405
COCC(C)(C)N(C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_324047360,PC-id_146087629,ZINC22_294109654,MCULE-5313768454	251.325	NFADYQWPTUQZNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028406
COC(C(=O)NCc1cnc2n1CCC2)C(C)C	EMOLS-id_319518210	251.325	HLVQIYQONBTUIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028407
COC(C(=O)NCc1n[nH]c2c1CCC2)C(C)C	EMOLS-id_318932112	251.325	VMAXMPINCMCNNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028408
CO[C@@H]1Cn2c(C1)cc(n2)C(=O)N(C(C)C)CC	EMOLS-id_316339536	251.325	KHUFDFDVHIBNSW-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-028409
OCC1N(CCOCC2CCC2)Cc2c1c[nH]n2	EMOLS-id_317040938,MCULE-6780744017	251.325	IVNHYBXPHASFCS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028410
O(C(C)(C)C)C(=O)N1Cc2[nH]c(cc2C1)CCN	PC-id_84804077	251.325	XGIWFNUPYAJGOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028411
OCCC(NC(=O)c1n[nH]c2c1CCC2)(CC)C	PC-id_110002125	251.325	BLHWYDMLTSAFFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028412
OC[C@@H]1c2c[nH]nc2CN1CCOCC1CCC1	ZINC22_1775987349	251.325	IVNHYBXPHASFCS-CYBMUJFWSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028413
OC[C@H]1c2c[nH]nc2CN1CCOCC1CCC1	ZINC22_1775987350	251.325	IVNHYBXPHASFCS-ZDUSSCGKSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028414
OCC(NC(=O)c1n[nH]c2c1CCC2)CC(C)C	PC-id_109921817	251.325	MRIBHNXXGLXILD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028415
O=C(N1Cc2c(C1(C)C)[nH]cc2N)OC(C)(C)C	SCHEMBL19195046	251.325	PEGWOOGSNBHAJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028416
O=C(N1Cc2c(C1(C)C)[nH]nc2C)OC(C)(C)C	SCHEMBL16627099,PC-id_118001227	251.325	UFASOWCWTOJADR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028417
O(C(=O)C(c1n2CCCc2nn1)(CC)CC)CC	PC-id_79471308	251.325	JTLCTOFMQKZTLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028418
O(C(=O)C(c1n2CCCc2nn1)CC(C)C)CC	PC-id_79472648	251.325	QITSRPKIDDCYTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028419
O=C(OC(C)(C)C)NCc1nc2c([nH]1)CCC2C	PC-id_102970208	251.325	LFYSUVWNFBMSAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028420
O(C(=O)N1Cc2c([nH]c(c2CN)C)C1)C(C)(C)C	PC-id_84804074	251.325	IAPFDBMZXBIVGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028421
c12CN(Cc1nn(CC)c2C#C)Cc1ccccc1	MCULE-6170973787,EMOLS-id_324358498	251.326	LWPXQLPWARIIQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028422
CC1CCc2c1c(nn2Cc1ccccc1C)C#N	MCULE-8943863703,EMOLS-id_331019769	251.326	JOYQHLIRIWGIMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028423
CC1CCc2c1c(nn2Cc1cccc(C)c1)C#N	EMOLS-id_331019514,MCULE-9731236512	251.326	JMSKGLQWDRMMBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028424
CC1CCc2c1c(nn2Cc1ccc(C)cc1)C#N	MCULE-4921714000,EMOLS-id_331019505	251.326	JAOFWBIKUSXIPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028425
CC1CCc2nn(Cc3ccccc3C)c(C#N)c12	MCULE-1465133623,EMOLS-id_331004595	251.326	BTJUGRIZJLFABN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028426
CC1CCc2nn(Cc3ccc(C)cc3)c(C#N)c12	EMOLS-id_331000251,MCULE-8235471894	251.326	AKLIAYZTNSMHHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028427
CC1CCc2nn(Cc3cccc(C)c3)c(C#N)c12	MCULE-2933545354,EMOLS-id_331004340	251.326	JZQFPCNRTUFFST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028428
C1C(Cc2c1ccs2)C(=O)Nc1nncs1	PC-id_91475892	251.328	DDQNWFKNZMTSRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028429
CC(CCC(=O)N(Cc1nnc2n1CCC2)C)N	EMOLS-id_314266320,PC-id_64097306	251.328	WDMDXNNULWDOOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028430
CCCC(C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_54872772,EMOLS-id_314087302	251.328	GKMHLKKWTPLEFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028431
CCC(CC(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_81977450,EMOLS-id_315706769	251.328	GTIGLWNVXGTTFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028432
CC(C)[C@H](C)NC(=O)NCc1nnc2n1CCC2	PC-id_52268385,ZINC22_47684996	251.328	UGOYPCZYCVKAHH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-028433
CC(C)[C@@H](C)NC(=O)NCc1nnc2n1CCC2	ZINC22_47684994,PC-id_52268384	251.328	UGOYPCZYCVKAHH-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028434
CCC[C@H](C(=O)NC(c1nnc2n1CCC2)C)N	PC-id_103813440	251.328	HMGCXHLOKQCUSP-YGPZHTELSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028435
CCC[C@@H](C(=O)NC(c1nnc2n1CCC2)C)N	PC-id_113975847	251.328	HMGCXHLOKQCUSP-GKAPJAKFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028436
CCC[C@@H](C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_93373695	251.328	GKMHLKKWTPLEFJ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-028437
CCC[C@H](C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_93373696	251.328	GKMHLKKWTPLEFJ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028438
CC(C)[C@@H](N)C(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_315340170,PC-id_79012365,ZINC22_37818499	251.328	JBWPHGXNSYDZKO-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028439
CC(C)[C@H](N)C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_37818498,EMOLS-id_314540405,PC-id_61163407	251.328	JBWPHGXNSYDZKO-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-028440
CCC(CNC(=O)C1NCc2c1c[nH]n2)(CC)N	EMOLS-id_318816373	251.328	AZJKTFWYWQURIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028441
CC(C)C(N)C(=O)N(C)Cc1nnc2CCCn12	PC-id_54872748,MCULE-3207336079,EMOLS-id_50022857	251.328	JBWPHGXNSYDZKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028442
CCC(C(=O)N(Cc1nnc2n1CCC2)C)CN	EMOLS-id_315315038,PC-id_65227051	251.328	UXKAOVPWYAWZDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028443
CC(C(C(=O)NC(c1nnc2n1CCC2)C)C)N	PC-id_104473044	251.328	JJPUCJGLRMRSTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028444
CC(C(C(=O)N(Cc1nnc2n1CCC2)C)C)N	PC-id_104474078	251.328	DDHZNTYGEQOSKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028445
CCC(C(=O)N(Cc1nnc2n1CCC2)C)(N)C	PC-id_79805670,EMOLS-id_315408297	251.328	JFHULQQDGCPKDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028446
CC[C@@H](C(=O)NC1CC(n2c1ncn2)C)N(C)C	EMOLS-id_319662921	251.328	KXMMGVGGFSLPCW-RTBKNWGFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028447
CCCNCC(=O)NC(c1nnc2n1CCC2)C	PC-id_61809971,EMOLS-id_314120037	251.328	NSGGGSDKUZCYJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028448
CCCNCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_61810885,EMOLS-id_314871192	251.328	FPFZRQRJFOXGOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028449
CCNCCC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_314902801,PC-id_62833219	251.328	SHWWXLGXVMCXKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028450
CCNCCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_62836633,EMOLS-id_314621413	251.328	YPQFFBBTNSLNHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028451
CC(NCC(=O)NC(c1nnc2n1CCC2)C)C	EMOLS-id_314058107,PC-id_54923996	251.328	KJXZIXQSCFRNPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028452
CC(NCC(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_54872774,EMOLS-id_314087558	251.328	RGJXEPBYXFUCNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028453
CNCCCC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_314088070,PC-id_54872785	251.328	COIRYWLHVVMYOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028454
CNCCCC(=O)NC(c1nnc2n1CCC2)C	PC-id_60843115,EMOLS-id_314882478	251.328	MOAYNLPBBIDIPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028455
CNCC(C(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_79203156,EMOLS-id_315410766	251.328	IOYDSQOPILGOOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028456
CN(C(CNC(=O)C1NCc2c1c[nH]n2)(C)C)C	EMOLS-id_318829195	251.328	KWMDXEDYKKOVAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028457
CNC(C(=O)N(Cc1nnc2n1CCC2)C)(C)C	PC-id_55121885,EMOLS-id_314200143	251.328	XHLUDCYZXDFLEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028458
CNC(C(=O)NC(c1nnc2n1CCC2)C)(C)C	PC-id_62836207,EMOLS-id_314203209	251.328	WSDFFGADKGYNHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028459
CNC(=O)C(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_258183006,MCULE-1406997667	251.328	PBVRHXSRKLZCRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028460
NCCCCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_64043151,EMOLS-id_314622757	251.328	TXSNBWPCLGCCSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028461
NCCCCC(=O)NC(c1nnc2n1CCC2)C	PC-id_64058639,EMOLS-id_314271692	251.328	JEUHSDXSKXFJIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028462
NCCC(C(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_80543091,EMOLS-id_315461875	251.328	MGRFXXKDKBSQAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028463
NCC(CC(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_81086624,EMOLS-id_315168334	251.328	SGLIFUQVMJGONK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028464
NCC(C(=O)NC(c1nnc2n1CCC2)C)(C)C	EMOLS-id_260608450,PC-id_81503782	251.328	CKAPDKNTOWTFMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028465
NCC(C(=O)N(Cc1nnc2n1CCC2)C)(C)C	PC-id_81502002,EMOLS-id_314920668	251.328	CQDQISBMTRMAHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028466
O=C(CC(N)(C)C)NC(c1nnc2n1CCC2)C	PC-id_64684007,EMOLS-id_315309830	251.328	BNYBQQKZCBSOCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028467
O=C(Nc1nncs1)c1cc2c(s1)CCC2	ZINC22_5525611,CHEMBL1404835,EMOLS-id_24037204,CoCoCo_3730096,ChEMBL-DNDi_CHEMBL1404835,PC-id_4501316,MCULE-2578990279	251.328	HRJDZCVPMJRVIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028468
O=C(NC(c1n2CCCc2nn1)C)C(CC)CN	PC-id_65225455	251.328	AUGWZOWWXAYRBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028469
O=C(NC(c1n2CCCc2nn1)C)CCC(N)C	PC-id_64097260	251.328	MOYDLCRGQJGHJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028470
O=C(NC(c1n2CCCc2nn1)C)C(CCN)C	PC-id_80542492	251.328	MPNFGJXGKLCCET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028471
O=C(NC(c1n2CCCc2nn1)C)CC(CN)C	PC-id_81075255	251.328	WXUQZYPVARTAIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028472
O=C(N(Cc1n2CCCc2nn1)C)CC(N)(C)C	PC-id_64677325,EMOLS-id_315307532	251.328	SBKSTRVCAQMCDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028473
O=C(NC(c1n2CCCc2nn1)C)C(CNC)C	PC-id_79196583	251.328	PDTDHCZESPSNRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028474
O=C(NC(c1n2CCCc2nn1)C)CC(N)CC	PC-id_81968927	251.328	YVGSVNVBFJOTHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028475
O=C(NC(c1n2CCCc2nn1)C)[C@@H](N)C(C)C	PC-id_61154953	251.328	NKHMPDIDNBHFFV-HTLJXXAVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028476
O=C(NC(c1n2CCCc2nn1)C)[C@H](N)C(C)C	PC-id_79011647	251.328	NKHMPDIDNBHFFV-LHIURRSHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028477
O=C(NC(c1n2CCCc2nn1)C)C(N)C(C)C	PC-id_43698123	251.328	NKHMPDIDNBHFFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028478
O=C(NC(c1n2CCCc2nn1)C)C(N)CCC	PC-id_43698151	251.328	HMGCXHLOKQCUSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028479
O=C(NC(c1n2CCCc2nn1)C)C(N)(CC)C	PC-id_79797451	251.328	IIUNYAJAYGKSBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028480
O=C(N(C)C)CCCNC1CC(n2c1ncn2)C	EMOLS-id_279082391	251.328	HUXWHLPAKNEFPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028481
O=C(NC(C(C)C)C)NCc1n2CCCc2nn1	MCULE-2764679439,PC-id_53532542,EMOLS-id_36636100	251.328	UGOYPCZYCVKAHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028482
s1c2CCCc2nc1NC(=O)c1ncsc1	PC-id_55218850	251.328	JMYKPOPOTUBEHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028483
s1c2CNCc2nc1NC(=O)c1sccc1	PC-id_82194046	251.328	ZDIYUORQJJKICN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028484
s1c2CN(Cc2nc1N)C(=O)c1sccc1	PC-id_82194159	251.328	QHHPAHCWAZDVJI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028485
c1(CN2CCCC(CF)C2)c2CCCc2nn1C	EMOLS-id_331166660,MCULE-4274633470	251.343	MKYZYOVTLCJCKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028486
Cn1nc2c(c1CN1CCC[C@H](CF)C1)CCC2	ZINC22_895999937	251.343	MKYZYOVTLCJCKE-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028487
Cn1nc2c(c1CN1CCC[C@@H](CF)C1)CCC2	ZINC22_895999938	251.343	MKYZYOVTLCJCKE-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-028488
c1(C(=O)OCC)c2CCCc2sc1NCC=C	PC-id_83380549,MCULE-6887551378	251.345	BXZZTUOOUGCJIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028489
CC1CSCCN1C(=O)c1occ2c1CCC2	EMOLS-id_102250531	251.345	PTJTWYGLRYANEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028490
CCC1(O)CN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_65952516,EMOLS-id_41558992	251.345	PAKBDDLMRYYLSJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028491
CCCCCCN1C(=O)c2c(C1=O)sc(c2)C	PC-id_135271166,SCHEMBL20434454	251.345	WKSHESKZDWVRSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028492
CCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16604923,PC-id_117982908	251.345	OMSHPCBXNJSOQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028493
CC(=CCNCc1sc2c(c1)CCC2)C(=O)O	PC-id_103242923	251.345	OJIDYTDUAIOUNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028494
CCC(=O)C(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_40911583,PC-id_64991578	251.345	JGNMMKMLZJYNAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028495
CC(C(=O)CNC(=O)c1sc2c(c1)CCC2)C	PC-id_64997367,EMOLS-id_40912943	251.345	ZIQLFAQPWZEBSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028496
C[C@@H]1COCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_102399906	251.345	IAOKLKHYPZXHEQ-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028497
C[C@H]1COCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_102827595	251.345	IAOKLKHYPZXHEQ-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-028498
C[C@H]1OCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102422784	251.345	HRPILPKFGWWQBN-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028499
C[C@@H]1OCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102590007	251.345	HRPILPKFGWWQBN-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-028500
C[C@@H](C1CN(C1)C(=O)c1sc2c(c1)CCC2)O	EMOLS-id_317917860	251.345	PJCXUHDRNORQFF-QMMMGPOBSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028501
CCOC(=O)C1CCc2c1nc(s2)CC1CC1	PC-id_104287190	251.345	AFUJOVMJFLKJLO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028502
CCOC(=O)c1c(C)c2n(c1C)C[N@@H+](C2)C(C)C	GD-id_ZINC01679621	251.345	JWOKWNHVOXJRHC-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-028503
CCOC(=O)c1c(N)sc2c1C(=CC2(C)C)C	SCHEMBL5211780,PC-id_69354562	251.345	AQRVAPJCPKNOLT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-028504
COc1c(sc2c1CCC2)C(=O)N1CCCC1	PC-id_91956564	251.345	KDKCLUHMQJQJKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028505
OC1CC(C1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_41597384,PC-id_65972619	251.345	LJLFTIUNXMIPKA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028506
OC1CC(N(C1)C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_102526302	251.345	DXTTZFDKPKPOHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028507
OC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37235206,PC-id_43391791	251.345	WCSGSLJWUJZQPO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028508
OCC1(CCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_115877895,EMOLS-id_314882944	251.345	XFSPFWANDJQHDR-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028509
OCC1(CNC(=O)c2sc3c(c2)CCC3)CC1	PC-id_80708955,EMOLS-id_315655102	251.345	NINWLJUYFQYRRQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028510
O=C(c1c(N)sc2c1C(C)OC2)C1CCCC1	SCHEMBL2162345,PC-id_67300711	251.345	CUWVAQWLAPBKLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028511
O=C(c1occ2c1CCC2)N1CCSCCC1	EMOLS-id_102331898	251.345	BNYPVDPDUSNNRH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028512
O=C(c1sc2c(c1)CCC2)N1CCOCCC1	EMOLS-id_102305919	251.345	LXWPETZJMMWPNM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028513
O=C(c1sc2c(c1)CCC2)NCC1CCCO1	ChEMBL-DNDi_CHEMBL1302976,MCULE-9696556491,PC-id_4107004,CHEMBL1302976,EMOLS-id_31846490	251.345	LEKBKTBWLKSGHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028514
O=C(c1sc2c(c1)CCC2)NCC1(O)CCC1	PC-id_111445639,EMOLS-id_314532472	251.345	UHMZRMSSUPZUMA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028515
O=C(c1sc2c(c1)CCC2)NC[C@@H]1CCOC1	GD-id_ZINC41936383	251.345	SMDTUXKXLGZPLU-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-028516
OCCN(C(=O)c1sc2c(c1)CCC2)C1CC1	EMOLS-id_37729685,PC-id_43576804	251.345	JENHOSYBEDTYLU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028517
OCCN(C(=O)c1sc2c(c1)CCC2)CC=C	PC-id_115776156,EMOLS-id_314515277	251.345	DKGXGBYHFXVMLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028518
O[C@H]1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102562274,PC-id_93032731	251.345	GZOURZOLZDEKQF-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-028519
O=C(N1CCC(C1)(C)O)c1sc2c(c1)CCC2	EMOLS-id_102458262,PC-id_103745626	251.345	FVLBXMVALADKDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028520
O=C(NC[C@H]1CCCO1)c1cc2c(s1)CCC2	PC-id_2315035,GD-id_ZINC03180345,ZINC22_3180345	251.345	LEKBKTBWLKSGHH-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028521
O=C(NC[C@@H]1CCCO1)c1cc2c(s1)CCC2	ZINC22_3180347,PC-id_2315036	251.345	LEKBKTBWLKSGHH-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-028522
OC(=O)C1CCC1NCc1sc2c(c1)CCC2	PC-id_103242956	251.345	UWZAJPPGQLEGFI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028523
OC(=O)C(C1CC1)NCc1sc2c(c1)CCC2	PC-id_103242945	251.345	MSRTWNACWKAMOC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028524
OC(=O)C=C(CNCc1sc2c(c1)CCC2)C	PC-id_103242936	251.345	HKUGKOUOZOHZLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028525
s1c2CCCc2cc1CNC(=O)CCC(=O)C	PC-id_61942766	251.345	GQOKRLOSARXISD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028526
s1c2c(CCC2)cc1C(=O)N1CC(CC1)CO	PC-id_55065504	251.345	WBTGTQAZZVEUAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028527
s1c2c(CCC2)cc1C(=O)N1C(CCC1)CO	PC-id_61410782	251.345	PGVQHDRIBIMKGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028528
s1c2c(CCC2)cc1C(=O)N1CC(O)CCC1	PC-id_43390751	251.345	GZOURZOLZDEKQF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028529
s1c2c(CCC2)cc1C(=O)N1[C@H](CCC1)CO	PC-id_66261540	251.345	PGVQHDRIBIMKGQ-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028530
s1c2c(CCC2)cc1C(=O)N1[C@@H](CCC1)CO	PC-id_79028619	251.345	PGVQHDRIBIMKGQ-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-028531
s1c2c(CCC2)cc1C(=O)NCC1(COC1)C	PC-id_78956881	251.345	BSSVLFBCVXIOKF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028532
s1c2c(CCC2)cc1C(=O)NCC(O)C1CC1	PC-id_63294476	251.345	AWJYUOSENIDRIA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028533
s1c2CCCc2cc1C(=O)NOC1CCCC1	PC-id_83206357	251.345	FVHLDUOUMZVVJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028534
c1(C(=O)NC2CC2)c2CSCc2nn1C(C)C	MCULE-4445762164,EMOLS-id_324400464	251.348	WKJXPQGCKGLSSQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028535
c1(C(=O)NC)c2CSCc2nn1CC1CCC1	MCULE-1272162492,EMOLS-id_324396383	251.348	SOCSOYJOPJXCPO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028536
c1(C(=O)N(C)C)c2CSCc2nn1CC1CC1	EMOLS-id_324398174,MCULE-9857112083	251.348	QGHJDWQXBYOFDS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028537
c1(NC(=O)NC2CCCC2)sc2c(CCC2)n1	EMOLS-id_36094235,MCULE-3776048907,ZINC22_70642214,PC-id_56723998	251.348	IUGJBLRMYXZGKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028538
CC1CCNC1C(=O)Nc1sc2c(n1)CCC2	PC-id_102779225	251.348	VTONBRJZRVYCIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028539
CC1CSCCN1C(=O)c1cn2c(n1)CCC2	EMOLS-id_102947222	251.348	AZPOQCJXLDYORO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028540
CC1CSCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_102780915	251.348	AAZIIASRCNTSFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028541
CC1CSCCN1C(=O)c1nn2c(c1)CCC2	EMOLS-id_102780906	251.348	PAIRIOIMRDAVGL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028542
CC1CSCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102406658	251.348	TXMUJLGJGHYVBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028543
CC1SCC(C1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101683037	251.348	HJXGZADLLGCQPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028544
CCC(=C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_319625808	251.348	USQFCFVRYLCBFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028545
CC(C(=O)Nc1sc2c(n1)CCC2)C1CNC1	PC-id_116677451	251.348	VJJUQUGBXLCJSI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028546
C[C@@H]1CNC[C@H]1C(=O)Nc1sc2c(n1)CCC2	PC-id_98540107	251.348	RJERVLDLRDMCLA-HTQZYQBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028547
NCC1(CCC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315163446,PC-id_115448470	251.348	OAYUXANHUHFZMM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028548
O=C(C1CCNCC1)Nc1sc2c(n1)CCC2	PC-id_54963948,EMOLS-id_38357773	251.348	YWVZMTWFQUXXMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028549
O=C(C1(N)CCCC1)Nc1sc2c(n1)CCC2	PC-id_54963449,EMOLS-id_38357825	251.348	OJHMLKMFBNLZIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028550
O=C(c1n[nH]c2c1CCC2)N1CCSCCC1	EMOLS-id_102311762	251.348	UQIAFAZFSJOINK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028551
O=C(c1n[nH]c2c1CCC2)NCC1CCCS1	EMOLS-id_99797441	251.348	ZLNRPONYAKWTHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028552
O=C(CC1(N)CCC1)Nc1sc2c(n1)CCC2	EMOLS-id_42562033,PC-id_79854640	251.348	YWRSJUVSLLJLBZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028553
O=C([C@@H]1CCCCN1)Nc1sc2c(n1)CCC2	PC-id_94225163	251.348	MBZTYJJRHWJIGE-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-028554
O=C([C@H]1CCCCN1)Nc1sc2c(n1)CCC2	PC-id_94225164	251.348	MBZTYJJRHWJIGE-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028555
O=C(N1CCCCC1)Nc1sc2c(n1)CCC2	PC-id_115594004	251.348	XFXZADYNXHJHMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028556
O=C(Nc1sc2c(n1)CCC2)CCNC1CC1	EMOLS-id_38357819,PC-id_54963400	251.348	FISQOHIESRSXHI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028557
O=C(Nc1sc2c(n1)CCC2)CNCC1CC1	PC-id_54963447,EMOLS-id_38357821	251.348	WBYFTCYZCLJNCS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028558
s1c2CCCc2nc1CC(=O)N1CCNCC1	PC-id_82511784	251.348	SCRXSAHPEQEZTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028559
s1c2CCCc2nc1NC1CCCNC(=O)C1	PC-id_63888309	251.348	QHTZZBFSJPDMMU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-028560
s1c2CCCc2nc1NC(=O)C1CCCNC1	PC-id_54963949	251.348	VSCDIJYDPCEQAG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028561
s1c2CCCc2nc1NC(=O)C1C(CNC1)C	PC-id_55229776	251.348	RJERVLDLRDMCLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028562
s1c2CCCc2nc1NC(=O)C1(CCNC1)C	PC-id_63142193	251.348	HBTMWILBIYVQAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028563
s1c2CCCc2nc1NC(=O)C1CC(N)CC1	PC-id_66009421	251.348	OBMXWCPGMHCZSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028564
s1c2CCCc2nc1NC(=O)C1C(NCC1)C	PC-id_79388242	251.348	GKMYBFMAWNVEIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028565
s1c2CCCc2nc1NC(=O)C1C(N)CCC1	PC-id_64822116	251.348	ZLVPTJAIIHXEGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028566
s1c2CCCc2nc1NC(=O)C1(NCCC1)C	PC-id_64382784	251.348	SDUBPILVTVCWQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028567
s1c2CCCc2nc1NC(=O)C1NCCCC1	PC-id_54963950	251.348	MBZTYJJRHWJIGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028568
s1c2CCCc2nc1NC(=O)CC1CCNC1	PC-id_65954960	251.348	VHMACTDMCXIBDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028569
s1c2CCCc2nc1NC(=O)CC1NCCC1	PC-id_54963899	251.348	FDOCAUOTMACELF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028570
s1c2CCCc2nc1NC(=O)CC(N)C1CC1	PC-id_81992943	251.348	GRLCYSNOZNNBMY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028571
s1c2CCCc2nc1NC(=O)[C@H]1CCCNC1	PC-id_81140493	251.348	VSCDIJYDPCEQAG-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028572
s1c2CCCc2nc1NC(=O)[C@@H]1CCCNC1	PC-id_81140635	251.348	VSCDIJYDPCEQAG-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028573
s1c2CCCc2nc1NC(=O)C(N)(C1CC1)C	PC-id_54963448	251.348	OYZYLCGPCNKUBX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028574
s1c2c(nc1NC(=O)C1CCCCC1)CNC2	PC-id_82194040	251.348	ZJJIGMXECVVDMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028575
s1c2CN(C(=O)C3CCCCC3)Cc2nc1N	PC-id_82194153	251.348	PAYNMNOXJCHJFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028576
S1c2n(nc(n2)CCC2CCCCC2)C(=O)C1	PC-id_82357976	251.348	QWSLURKPJUVSOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028577
C1CNC(=NC1)NCCc1cn2c(n1)SCC2	PC-id_120363072	251.351	OXZVLSFKLKBLRI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-028578
C=CCNC(=NCCc1cn2CCSc2n1)N	PC-id_137159519	251.351	VNEQOGDJHSGIDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028579
NC(=NCCc1cn2c(n1)SCC2)NC1CC1	PC-id_120363252	251.351	MJNCOKGDLRGBMR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028580
o1c(C(C)(C)C)c(c2c1CCC2)CNCCOC	PC-id_83610500	251.365	IXFAVMPARMJCAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028581
CC(CNCc1nc2c([nH]1)C(OC2(C)C)(C)C)C	EMOLS-id_314364876,PC-id_79927478	251.368	CYNXMXKJCFWUSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028582
CC(NCc1nc2c([nH]1)C(OC2(C)C)(C)C)(C)C	EMOLS-id_315474727,PC-id_79927351	251.368	BLOGMWIQDZBCLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028583
OC(c1sc2c(c1)CCC2)Cc1nccs1	PC-id_115822428	251.368	CTIWNJMJFVYZOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028584
OC(c1sc2c(c1)CCC2)Cc1scnc1	PC-id_115830413	251.368	MNQGILDIFIIOGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028585
O=C(c1sc2c(c1)CCC2)N1CC[NH2+]CCC1	GD-id_ZINC19262891	251.368	IYLVGMUNYIWJOZ-UHFFFAOYSA-O	00000010100000000101000010000000000000000000000000000000	25-01-028586
Cc1cnc(NCc2nc3c(s2)CCC3)s1	PC-id_75505607,MCULE-1097942254,ZINC22_97114415,EMOLS-id_49315299	251.371	RCLJGRUCXPYZDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028587
Cc1csc(n1)C(c1sc2c(n1)CCC2)N	PC-id_104771024	251.371	JPPSXUSWVMEZQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028588
Cc1nnc(s1)NCc1sc2c(c1)CCC2	PC-id_64982669,EMOLS-id_40896168	251.371	HBHYBAVDGYRVLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028589
Cc1nsc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_41138421,PC-id_65267686	251.371	OBXNZGOOHIWMPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028590
Cc1scc(n1)C(c1sc2c(n1)CCC2)N	PC-id_116084181	251.371	MZROAUMADIMXNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028591
CC(c1nnc2n1CCC2)NCCNC(C)(C)C	PC-id_107445268	251.371	PBHYEVTVEPEZTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028592
CNC(c1sc2c(n1)CCC2)c1nccs1	PC-id_104077752	251.371	OBBGBTSKOBIFLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028593
CNC(c1sc2c(n1)CCC2)c1ncsc1	PC-id_116084204	251.371	CTGUVTGZIPRVOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028594
CNC(c1sc2c(n1)CCC2)c1scnc1	PC-id_104077751	251.371	MJRCTWBKFSJIRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028595
Nc1nsc(c1)NCc1sc2c(c1)CCC2	PC-id_103359402	251.371	HKBKIZNIISIHBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028596
N(Cc1sc2c(n1)CCC2)Cc1scnc1	PC-id_104589014	251.371	SLYAQNKDXWIIGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028597
NCC(C(C)C)CNC(c1nnc2n1CCC2)C	PC-id_107441811	251.371	UXMJSCYVMFJICH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028598
s1c2c(CCC2)cc1CNCc1nnsc1	PC-id_61209140,EMOLS-id_38138591	251.371	QARJYGVBNSGFFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028599
s1cnc(c1)CNCc1sc2c(n1)CCC2	PC-id_115887369	251.371	CAZVGEKJLFDSII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028600
CC1(C)OC(c2c1c(CNC1CC1)cs2)(C)C	PC-id_113626046	251.388	ZTDPWIXXMFOYCO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028601
CC1COCCC1NCc1sc2c(c1)CCC2	PC-id_114078208	251.388	NDMAJOPGKDOWPE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028602
CC1(O)CCCC1NCc1sc2c(c1)CCC2	PC-id_112745883	251.388	UWMADZJUOHTRND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028603
CCC1CCc2sc(N)c(C(=O)C(C)(C)C)c12	PC-id_113483514,EMOLS-id_315941604	251.388	LQLKQXRVJBCAPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028604
CC(C1CCOC1)NCc1sc2c(c1)CCC2	PC-id_113261160	251.388	SXTARBNTGZHTGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028605
CCCCCCCCN1C(=O)Cc2c1ccs2	PC-id_102441987	251.388	QVJSDBNIHAUALG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028606
CCCCC(CN1C(=O)Cc2c1ccs2)CC	PC-id_59584032,SCHEMBL13058834	251.388	RTUSPJNURRBWKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028607
CC(C)(C)C(=O)c1c(N)sc2CCC(C)(C)c12	EMOLS-id_42566911,PC-id_79865185	251.388	KVGDPGMOZRSUDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028608
CCC(CNC(=O)c1sc2c(c1)CCC2)CC	PC-id_113232032	251.388	HNCUXFYJMDWZRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028609
CC(C)C(=O)c1c(N)sc2c1C(C)CC2(C)C	EMOLS-id_337901611,PC-id_106662936	251.388	BWTRUQYJNZELIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028610
CC(CN1Cc2c(C1=O)sc(c2)C(C)(C)C)C	PC-id_121261444,SCHEMBL17660283	251.388	BIJYNFGDYSRPJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028611
CCNC(c1sc2c(c1)CCC2)C1CCOC1	PC-id_115856695	251.388	BAIRULRDVGVGQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028612
CCOC1CC(C1)NCc1sc2c(c1)CCC2	EMOLS-id_315763156,PC-id_112553133	251.388	KCQNMPFCPVFSSW-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028613
CNC(c1sc2c(c1)CCC2)C1CCCOC1	PC-id_107139076	251.388	LZEAXYDAVMTTPI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028614
CNC(c1sc2c(c1)CCC2)C1CCOCC1	PC-id_115855739	251.388	KGZKHCHUEIHTSA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028615
C(NC(=O)c1cc2c(CC(C)(C)C2)s1)(C)(C)C	SCHEMBL14915069,PC-id_86683779,MCULE-5683394187	251.388	DWWYBSMBECCAJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028616
NC(c1sc2c(c1)CCC2)CC1CCOCC1	PC-id_115846669	251.388	YCBOJXXLMDEAKE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028617
NC(c1sc2c(c1)CCC2)CCC1CCCO1	PC-id_104993549	251.388	MMAMSYWUDSRUTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028618
OC1CC(C1(C)C)NCc1sc2c(c1)CCC2	PC-id_112633866	251.388	UETKLVGSMDWMAS-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-028619
OC1(CCCC1)CNCc1sc2c(c1)CCC2	PC-id_65210995,EMOLS-id_41091517	251.388	ZDQDLRRJBWZFGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028620
OC1CCC(CC1)NCc1sc2c(c1)CCC2	PC-id_106594458	251.388	QJKGJCHLTAKSPD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028621
O=Cc1sc2c(c1CCN(C)C)CC(C2)(C)C	SCHEMBL18779168	251.388	LZLSBEYIPMJELB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028622
O[C@H]1CCCC[C@@H]1NCc1sc2c(c1)CCC2	PC-id_102731078	251.388	CSTFBQGDHASEDZ-STQMWFEESA-N	00000010100010000000000010000000000000000000000000000000	25-01-028623
O[C@@H]1CCCC[C@H]1NCc1sc2c(c1)CCC2	PC-id_113729489	251.388	CSTFBQGDHASEDZ-CHWSQXEVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028624
O=CN(CCc1c(C)sc2c1CC(C2)(C)C)C	PC-id_138650168,SCHEMBL21018560	251.388	ZIUDJUOKOHRKLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028625
s1c2c(CCC2)cc1CNC1CCCOCC1	PC-id_65081815	251.388	BOQRMPUJRODFRX-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-028626
s1c2c(CCC2)cc1CNC1CC(OCC1)C	PC-id_64100826	251.388	BVAUFCFZUUWQEL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028627
s1c2c(CCC2)cc1CNC1C(O)CCCC1	PC-id_61208169	251.388	CSTFBQGDHASEDZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028628
s1c2c(CCC2)cc1CNCC1CCCOC1	PC-id_63741457	251.388	RSVOZTLOWXYFAU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028629
s1c2c(CCC2)cc1CNCC1CCOCC1	PC-id_62386771	251.388	KIGRYPDRCZANCG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028630
s1c2c(CCC2)cc1CNCC1OC(CC1)C	PC-id_82835354	251.388	LVHLKAMHLBKGOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028631
s1c2c(CCC2)cc1CNCC1OCCCC1	PC-id_61207053	251.388	MCMVBNYXAGNOSN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028632
s1c2c(CCC2)cc1CNCCC1OCCC1	PC-id_65163566	251.388	BWTKGKGMFBJOPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028633
s1c(CNC(C2CC2)COC)cc2c1CCC2	PC-id_80409561	251.388	VHQKMZVALQJKHW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-028634
CC1(C)CCc2c1nc(s2)CN1CCNCC1	EMOLS-id_42568907,PC-id_79856760	251.391	NQPLVYHZHGSXPW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028635
CC(c1sc2c(n1)CCC2)(N1CCNCC1)C	PC-id_63342474,EMOLS-id_39760756	251.391	JBHXILGSMZCYMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028636
n1(CC2CCCCC2)c(CN)c2c(CSC2)n1	EMOLS-id_324395869,MCULE-7449505026	251.391	MSEMLPSUZJFZHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028637
s1c2CCCc2cc1C/N=C(/NC(C)(C)C)N	PC-id_62361791	251.391	BPDACYKYMSYLSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028638
s1c2CCCc2cc1C/N=C(/NCC(C)C)N	PC-id_62362003	251.391	QIVJSQQSVZAUPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028639
s1c(nc2c1CCC2)C(N1CCNCC1)CC	PC-id_63342340	251.391	SPCBJNZGUTZOBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028640
[Si](OC1CC(=O)n2c1ccc2)(C(C)(C)C)(C)C	PC-id_85389896	251.397	DINIEZFDSTZTIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028641
[Si](O[C@H]1CC(=O)n2c1ccc2)(C(C)(C)C)(C)C	PC-id_11075925	251.397	DINIEZFDSTZTIF-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-028642
CCCCC(c1cc2c(s1)CCC2)NCCC	PC-id_113664962	251.431	NXWDJRLYKBYFTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028643
CCC(CC(c1sc2c(c1)CCC2)NC)CC	PC-id_105027947	251.431	OGLIXABOMUCOFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028644
CCCCCC(c1sc2c(c1)CCC2)NCC	PC-id_113665519	251.431	IZVPAHATGWLLSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028645
CC(CC(CC(c1sc2c(c1)CCC2)N)C)C	PC-id_114201704	251.431	UJSPDPDRECLLQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028646
CCCC(CC(c1sc2c(c1)CCC2)NC)C	PC-id_115845202	251.431	XHTWBKQSLGTWRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028647
CCCCCCC(c1sc2c(c1)CCC2)NC	PC-id_113665005	251.431	CMWXUUZHDACCGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028648
CCCCCCCC(c1sc2c(c1)CCC2)N	PC-id_115832029	251.431	WAQJJPWFGKMSPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028649
CCCCCC(NCc1sc2c(c1)CCC2)C	EMOLS-id_39836749,PC-id_55192359	251.431	UEGCUYNLLJESBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028650
CC(CCCNCc1sc2c(c1)CCC2)(C)C	PC-id_114209385	251.431	GJVULVSFUFLHRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028651
CCCCC(NCc1sc2c(c1)CCC2)CC	PC-id_63946142,EMOLS-id_40149067	251.431	RABNZFVNJUBOQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028652
CCCC(NCc1sc2c(c1)CCC2)CCC	PC-id_55192549,EMOLS-id_39836753	251.431	NBHLKMUEZQIBAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028653
CCCNC(c1sc2c(c1)CCC2)C(CC)C	PC-id_105017358	251.431	GREFJRXEYFYVSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028654
CCCNC(c1sc2c(c1)CCC2)CC(C)C	PC-id_115782215	251.431	PYRQNDGMRMNIPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028655
CCCNC(C(C)(C)C)c1sc2c(c1)CCC2	PC-id_115854263	251.431	YUNGRWGMXUASGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028656
CC(NCc1sc2c(c1)CCC2)CCC(C)C	EMOLS-id_38138545,PC-id_61208746	251.431	NISMXJGGNVATDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028657
CCNC(c1sc2c(c1)CCC2)C(CC)CC	PC-id_105014048	251.431	IOSJOPHMXCLTBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028658
CCNC(c1sc2c(c1)CCC2)C(CCC)C	PC-id_107893964	251.431	WEGCBPDHZFWVIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028659
CCNC(c1sc2c(c1)CCC2)CCC(C)C	PC-id_113665207	251.431	VLTTZNVUIRHAJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028660
CCNC(c1sc2c(c1)CCC2)CC(CC)C	PC-id_113666342	251.431	AELFFWKDVLGDKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028661
CNC(c1sc2c(c1)CCC2)CCCC(C)C	PC-id_113672545	251.431	PNCRNGSEXKFUNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028662
CNC(c1sc2c(c1)CCC2)CCC(C)(C)C	PC-id_115849702	251.431	BNMIOSFCLCRVNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028663
NC(c1sc2c(c1)CCC2)CCCC(C)(C)C	PC-id_114211270	251.431	JYWULXCXJYWAKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028664
s1c2c(CCC2)cc1CNCCCCCCC	PC-id_63452541	251.431	HWLHBPLXYNHPNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028665
Brc1scc2c1C(Cl)CC2=O	PC-id_399786	251.528	OXHYCYMFHGMELN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028666
c12CC(Br)C(=O)c1cc(Cl)s2	MCULE-2321500194,CNP0064476,PC-id_15330134	251.528	UIGFZVQFMUXYKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028667
Cl[C@@H]1CC(=O)c2c1c(Br)sc2	CoCoCo_5777807,NSC710881	251.528	OXHYCYMFHGMELN-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028668
Cl[C@H]1CC(=O)c2c1c(Br)sc2	CoCoCo_5777808	251.528	OXHYCYMFHGMELN-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028669
c1(CBr)c2CCCc2sc1Cl	EMOLS-id_331062823,MCULE-9746041139	251.571	MIYSELFRJLQMHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028670
c1(CCl)c2CCCc2sc1Br	EMOLS-id_331060007,MCULE-1954098081	251.571	AKTRCFIGDLNPFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028671
Clc1cn[nH]c1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319673927	251.672	ZKEUCNLPBUPLQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028672
O=C(c1cn2c(n1)CCC2)Nc1c[nH]nc1Cl	EMOLS-id_278346583	251.672	WLOKQYDKXRPWSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028673
O=C(c1[nH]ncc1Cl)NC1CCn2c1cnc2	EMOLS-id_319683026	251.672	AJUZIYHZUYHOMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028674
O=C(c1[nH]ncc1Cl)NC1CCn2c1ncc2	EMOLS-id_319142446	251.672	OSABPXARIBONKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028675
O=C(N1CCn2c1ncc2)c1cnc(n1C)Cl	EMOLS-id_258164347,MCULE-7486183946	251.672	ZKAAALFRAXLMSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028676
CC1(C)OCc2c(CS(=O)(=O)Cl)noc12	EMOLS-id_259608030,MCULE-4883135381	251.687	WVCAKSWNKNRSEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028677
CCN1C(=O)c2cc(Cl)sc2S1(=O)=O	PC-id_92174345,EMOLS-id_48361016	251.71	VHNIYQVWAMWXLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028678
Clc1ccc(Nc2sc3CCCc3n2)nc1	PC-id_66234330	251.735	FAFABPNLXOXZCY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-028679
Clc1sc2c(c1)C(CC2)Nc1cncnc1	PC-id_107587865	251.735	GTVFDXKTMMQGLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-028680
Clc1sc2c(c1)C(CC2)NS(=O)(=O)C	MCULE-2605562790,EMOLS-id_102571957	251.754	CDDHYOAYCRZQRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028681
ClS(=O)(=O)CCc1sc2CCCc2n1	PC-id_82276995	251.754	MWSMFLFPVJVWAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028682
CS(=O)(=O)N[C@H]1CCc2sc(Cl)cc12	ZINC22_335165292	251.754	CDDHYOAYCRZQRC-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-028683
CS(=O)(=O)N[C@@H]1CCc2sc(Cl)cc12	ZINC22_335165293	251.754	CDDHYOAYCRZQRC-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028684
Clc1ccc(Nc2scc3CCC[n+]23)cc1	MCULE-3492657758,EMOLS-id_317420148	251.755	OMSXKMZYNOVLDW-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-028685
CCCC(=C(c1sc2c(c1)CCC2)Cl)C#N	PC-id_79404564,EMOLS-id_42254021	251.775	IWMKCZRLEXQBPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028686
C1CSC2=NC=C(N21)I	PC-id_146956073	251.922	AJQWNNUCLHEQPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028687
C1CC2=NC(=CN2C1)SCS(=O)(=O)Cl	PC-id_164732176	251.979	WQYKIYOXDPYPED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028688
CC(=CC1C(C2=C(S1)C=C(S2)C#C)S)C	PC-id_164048370	252.01	VWHGGWPQQOOCGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028689
O=c1[se]c2c([se]1)CCC2	PC-id_101395942	252.031	XRKVOKIAEOJHEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028690
C1C(OC2=CC(=NN21)C(=O)O)COC(F)(F)F	PC-id_152293986,EMOLS-id_337762507	252.036	WNXYPNPPIBIUMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028691
c12c(Br)cnn1CCN2CC(F)F	EMOLS-id_317865470,MCULE-8537256680	252.059	YXCFEXRZEPDKSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028692
c12cc(nn1CCN2CC(F)F)Br	MCULE-8015470119,EMOLS-id_320441879	252.059	SMWDVRYVKZSHMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028693
PPP(C1Cc2n(C1C)nnn2)P	PC-id_59020089,SCHEMBL14348020	252.071	IBCRMUDTINJYEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028694
PPP([C@H]1Cc2n([C@H]1C)nnn2)P	SCHEMBL14490431,PC-id_58845280	252.071	IBCRMUDTINJYEX-GXIFIJQBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028695
PPP([C@H]1[C@@H](C)Cc2n1nnn2)P	SCHEMBL14490852,PC-id_58845415	252.071	KJIJUBVUQZZKGX-FYFZUHKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028696
PPP([C@@H]1[C@H](C)Cn2c1nnn2)P	PC-id_58845344,SCHEMBL14490475	252.071	RIJPYBDFNJKGQT-JLBJWVOMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028697
PPP([C@@H]1Cn2c([C@@H]1C)nnn2)P	SCHEMBL14490472,PC-id_58845388	252.071	LEKQIHJGEYDDLT-JLBJWVOMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028698
P(PP)(P)C1C(c2n(nnn2)C1)C	PC-id_76841176	252.071	LEKQIHJGEYDDLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028699
P(PP)(P)C1C(Cn2nnnc12)C	PC-id_76841185	252.071	RIJPYBDFNJKGQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028700
P(PP)(P)C1n2nnnc2CC1C	PC-id_60132143	252.071	KJIJUBVUQZZKGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028701
P(PP)(P)[C@@H]1[C@H](c2n(nnn2)C1)C	PC-id_58622744	252.071	LEKQIHJGEYDDLT-WUHHOSGXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028702
P(PP)(P)[C@@H]1[C@H](Cn2nnnc12)C	PC-id_58622804	252.071	RIJPYBDFNJKGQT-WTNKTAEHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028703
P(PP)(P)[C@@H]1[C@H](n2nnnc2C1)C	PC-id_58622700	252.071	IBCRMUDTINJYEX-WUHHOSGXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028704
P(PP)(P)[C@H]1n2nnnc2C[C@@H]1C	PC-id_58622771	252.071	KJIJUBVUQZZKGX-HDJNDZBRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028705
Ic1[nH]nc2c1CCS2	SCHEMBL19100186	252.076	OCCJHIDSVSXLTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028706
Ic1n[nH]c2c1SCC2	SCHEMBL18573371	252.076	QNQPJGNZVPTIHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028707
C1COCCN1CCC2=CC3=C(S2)CNC3=O	PC-id_153974922	252.093	SDMKQHDFHGWBLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028708
C1CC1COCCC2CN3C(=CC(=N3)C(=O)O)O2	PC-id_151829965	252.111	SEKYEZGKYUFPDN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028709
C1COCCC1CC2CN3C(=CC(=N3)C(=O)O)O2	PC-id_151351430	252.111	OMOKLAGQCFBDMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028710
CC1(Cn2c(cc(n2)C(=O)O)O1)COCC1CC1	PC-id_163980986	252.111	SYJFEBISTFFLLK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028711
[B]C[C@@H]1C[C@@H](c2nn(cc12)Cc1ccccc1)CO	PC-id_134973464	252.119	YZULOUGBBXEZJF-QWHCGFSZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028712
Nc1nc2c(o1)C([C@H](O2)COP(=O)(O)O)O	PC-id_102512496	252.119	IEMKSUDMHTZHKE-STYMGOOTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028713
Clc1n2C(N=O)C(Sc2nc1Cl)(C)C	PC-id_53842204	252.121	GJXDQARAQHKAEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028714
O/N=C
/n2c(SC1(C)C)nc(c2Cl)Cl	SCHEMBL10993358	252.121	HBXJSWUCHKAXNW-VZUCSPMQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028715
CCC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)O	PC-id_160834349	252.122	SHFHCMIRPRATER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028716
CCOC(=O)N1C2=C(CN(C2)C(C)(C)C)C(=N1)N	PC-id_165180383	252.159	KECSMKNBYDLEBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028717
C1c2c(CC1(F)F)n(nc2C(F)F)CC(=O)O	PC-id_86719796,SCHEMBL15708369	252.166	LTXFYDSZCPLDFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028718
C1CC(c2c1c(nn2CC(=O)O)C(F)F)(F)F	PC-id_134443852,SCHEMBL20079046	252.166	LLLBGEBHJTWHMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028719
CC1=NC2=C(S1)CC([C@@H]2N)(C(C)C)C(C)(C)C	PC-id_160273204	252.166	PZDRVPXTBRCIMA-PUODRLBUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028720
CC(C)(C)C1(CC2=C([C@H]1N)SC=N2)C(C)(C)C	PC-id_164743795	252.166	CQKLRTAVUWAGII-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028721
CCC(C)(C)C1=C2C(=C(N1)C(C)(C)CC)ONO2	PC-id_163685218	252.184	JOHFJKXNSDHSBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028722
c12CN(Cc1nn(CCF)c2N)CC(F)(F)F	MCULE-3114751082,EMOLS-id_324341348	252.212	UPAMAORYQQCEHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028723
c1(C(F)(F)F)nn(c2CSCc12)CC(=O)O	EMOLS-id_317871346,MCULE-9049223155	252.214	REZFCYBNZWGUCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028724
OC(=O)Cn1nc2CSCc2c1C(F)(F)F	EMOLS-id_337928232	252.214	IYTCHZDTJLWCNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028725
O=C1Nn2c(C1)c(c(c2C)C(=O)OC)C(=O)OC	PC-id_23245185	252.223	UJPYAEOJAHOIOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028726
O=C1N[C@@H]([C@@H]1N)Cn1nc2c(n1)CN(C2)C(=O)O	PC-id_118379407,SCHEMBL17093614	252.23	HIOURVLUPMIJMR-RQJHMYQMSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028727
c12n(CCN1CC(F)F)ncc2S(=O)(=O)N	MCULE-7028206690,EMOLS-id_317863935	252.242	GWUKHKVCCBGBAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028728
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2C(=O)[O-])C1	PC-id_52324502	252.247	SBFDXYJFMPRVOE-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-028729
CCOC(=O)C1(Cc2c(C1)coc2)C(=O)OCC	PC-id_15814402,SCHEMBL7823345	252.263	VFOCESKZPJHHSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028730
COC(=O)C1(Cc2c(C1)c(oc2C)C)C(=O)OC	PC-id_101568917	252.263	NFNAJBWXQSPIEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028731
c1(C(=O)O)c2C(C)CCc2n(CC(=O)OCC)n1	MCULE-2899293408,EMOLS-id_330989050	252.266	NUJHEAVCJGGTEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028732
c1(C(=O)OC)c2C(C)CCc2n(CC(=O)OC)n1	MCULE-4291022603,EMOLS-id_330994417	252.266	BJCYKBOIHIJBMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028733
c1(C(=O)OCC)c2C(C)CCc2n(CC(=O)O)n1	MCULE-2820831772,EMOLS-id_330999031	252.266	QOLJNYQOYKFUKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028734
CC(=O)c1nc2c(o1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL15293389,PC-id_89830932	252.266	TWVMBVDRTAARCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028735
CCOC(=O)c1c2C(C)CCc2nn1CC(=O)O	MCULE-5495805519,EMOLS-id_330985143	252.266	OCYXWNNJVWEUPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028736
CCOC(=O)Cn1nc2CCC(C)c2c1C(=O)O	EMOLS-id_330969276,MCULE-7544978643	252.266	CGJMAWDJZXTKPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028737
COC(=O)Cn1nc2CCC(C)c2c1C(=O)OC	EMOLS-id_330977458,MCULE-8678062290	252.266	JUEMGPIFOSBEPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028738
O(C(C)(C)C)C(=O)n1c2CC(Cc2nc1)C(=O)O	SCHEMBL7824086,PC-id_15814393	252.266	PUJYBSQGGMIJRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028739
O(C(C)(C)C)C(=O)N1C(c2c([nH]cc2)C1)C(=O)O	PC-id_73080227	252.266	DNNCVKADAIGLQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028740
O(C(C)(C)C)C(=O)N1Cc2[nH]c(cc2C1)C(=O)O	PC-id_84804241	252.266	AFORWDJBDUGOTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028741
O(C(C)(C)C)C(=O)N1[C@@H](c2c([nH]cc2)C1)C(=O)O	PC-id_11736854	252.266	DNNCVKADAIGLQN-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-028742
N#Cc1c(NC(=O)C2(F)CC2)nc2n1CCS2	ZINC22_843545764	252.268	YZTRGECVBQPXKG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028743
c12CN(Cc1nn(C)c2C(=O)NCC)C(=O)OC	MCULE-2825443308,EMOLS-id_324355169	252.27	CXORWZRUHZNPPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028744
c12CN(Cc1nn(C)c2C(=O)NC)C(=O)OCC	MCULE-3503130897,EMOLS-id_324350062	252.27	LOLKJKONZCXVHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028745
c12CN(Cc1nn(CC)c2C=NO)C(=O)OCC	MCULE-1750381736,EMOLS-id_324354925	252.27	SIWUCCHDNRSHIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028746
c12CN(Cc1nn(CCC)c2C=NO)C(=O)OC	EMOLS-id_324356972,MCULE-4663187821	252.27	JKKMUTCCKPCGMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028747
Cc1c2n(CCO2)nc1C(=O)NCCC(=O)NC	PC-id_91959948	252.27	MLZSPGHXRCCHFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028748
CC1(CN2CCCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_141088088	252.27	IYHYOWROJNPOPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028749
CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N)c2C1	EMOLS-id_331156425,MCULE-1883942461	252.27	NODCGYAOLKQWCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028750
CC(C)NC(=O)CNC(=O)c1nn2CCOc2c1	PC-id_91959788	252.27	VDRXJSKCDGDFBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028751
CCNC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319284695	252.27	HJEAEKXHJXAWOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028752
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C=O	SCHEMBL7013397,PC-id_59333967	252.27	JUKCQXHBKZYODB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028753
CCOC(=O)NCCC(=O)N1CCn2c1ncc2	MCULE-2155412858,EMOLS-id_258164413	252.27	YRYAKGRUUQTXGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028754
NC(=O)[C@@H]1N(Cc2c1cn[nH]2)C(=O)OC(C)(C)C	PC-id_141411235	252.27	VGPCOJMZNABOOY-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028755
NC(=O)[C@H]1N(Cc2c1cn[nH]2)C(=O)OC(C)(C)C	PC-id_141411258	252.27	VGPCOJMZNABOOY-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028756
O=C(C(C(=O)O)C)NC(c1nnc2n1CCC2)C	PC-id_113648460	252.27	DKTXADXWQJZCAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028757
O=C(N1Cc2c(C1)nc([nH]2)C(=O)N)OC(C)(C)C	PC-id_118614060,SCHEMBL17380325	252.27	NEQCPGNFTLFBMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028758
O=C(NC(c1n2CCCc2nn1)C)CCC(=O)O	EMOLS-id_315191190,PC-id_54868264	252.27	YDTZYZCEMPKRFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028759
O=C(N(Cc1n2CCCc2nn1)C)CCC(=O)O	EMOLS-id_315201936,PC-id_54875734	252.27	HNFDNBXDGDINIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028760
OC(=O)C(C(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_113648356	252.27	DBRZSZOFNSHSGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028761
ON1Cc2c(C1)nc(n2C)C(=O)N1CCOCC1	SCHEMBL17380445,PC-id_118614180	252.27	DKOJVCRULRIXNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028762
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CN(CC=C)C	PC-id_145128347	252.27	FJSITSVANJCCGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028763
c1(C(=O)Nc2ccccc2C#N)c2CCCc2[nH]n1	EMOLS-id_179744961,PC-id_110388964,MCULE-8308802922	252.271	SIRLIFMMKBARFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028764
c1(C(=O)Nc2cccc(c2)C#N)c2CCCc2[nH]n1	EMOLS-id_179744964,MCULE-3026012839,PC-id_110388965	252.271	CLNAFPKRTKPNHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028765
c1(C(=O)Nc2ccc(cc2)C#N)c2CCCc2[nH]n1	PC-id_110388966,MCULE-7725433456,EMOLS-id_179744967	252.271	GSEISSAOEVYFHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028766
c1(C(=O)Nc2cccc(c2)C#N)cn2c(CCC2)n1	EMOLS-id_321297118,MCULE-3905847596	252.271	GEUPHHHSGBUZOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028767
c1(C(=O)Nc2ccccc2C#N)cn2c(CCC2)n1	MCULE-2178107173,EMOLS-id_321296862	252.271	CFJDTTKVDHRRAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028768
c1(C(=O)Nc2ccc(cc2)C#N)cn2c(CCC2)n1	MCULE-3792421784,EMOLS-id_321297374	252.271	RYXIFHNLUAHESL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-028769
CCOC(=O)C(=O)C1Cc2c(C1=O)sc(c2)C	PC-id_67529431,SCHEMBL2774624	252.286	LKVDVLMJWJKDNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028770
O=CC(=O)OC(C1Cc2c(C1=O)scc2C)C	PC-id_140552902	252.286	OOFZUJBRRUACBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028771
FC1CCN(C1)CCC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318935968	252.288	XGNZZZXFERQELU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028772
FC1CCN(C1)CCC(=O)N1CCn2c1ccn2	EMOLS-id_319687522	252.288	YULUAMSOIVQDDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028773
F[C@@H]1CCCC[C@@H]1NC(=O)C1NCc2c1c[nH]n2	MCULE-1701029705,EMOLS-id_320102603	252.288	UXQFTYPSEBBFMW-VFXVZZSQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028774
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)(C)F	EMOLS-id_319606538	252.288	RFJUDTUIMKQPQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028775
c12c(CCC1C(=O)O)sc(NC(=O)C1CC1)n2	PC-id_49657934,MCULE-7959184852,EMOLS-id_42771823	252.29	MYMJWPGYKCOHTM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028776
CC[C@@H](C(=O)NC)N1C(=O)c2c(C1=O)scc2	SCHEMBL20329327,PC-id_135178639	252.29	HEAHRLWKOWFZRL-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028777
CN=C(C(=O)O)Nc1sc2c(c1C=O)CCC2	PC-id_143679403	252.29	ICJJOTPVQBYJFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028778
O=C([C@@H]1C[C@@H]1C(=O)O)Nc1sc2c(n1)CCC2	PC-id_94224582	252.29	UZXYUWXRHSKMBY-RITPCOANSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028779
OCCOC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_315385448,PC-id_79345132	252.29	DFKLPBDBMFKDOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028780
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)O)C1CC1	PC-id_52194718,ZINC22_43830597	252.29	MYMJWPGYKCOHTM-LURJTMIESA-N	00100010100000000001000010000000000000000000000000000000	25-01-028781
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)O)C1CC1	ZINC22_43830601,PC-id_52194720,EMOLS-id_337392465	252.29	MYMJWPGYKCOHTM-ZCFIWIBFSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028782
OC(=O)C1(CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38770836,PC-id_62095264	252.29	OOTIHGLTGDJFSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028783
s1c2CCCc2nc1NC(=O)C1C(C1)C(=O)O	PC-id_54963038	252.29	UZXYUWXRHSKMBY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028784
s1c2CCCc2nc1NC(=O)C1=COCCO1	PC-id_4172986	252.29	QPKRKKDDFPPWIP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-028785
s1c2c(nc1NC(=O)C1NC(=O)CC1)CNC2	PC-id_82194088	252.293	VRTNMBUMGVTBIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028786
s1c2CN(C(=O)C3NC(=O)CC3)Cc2nc1N	PC-id_82194198	252.293	WNHWPTWDCMKDLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028787
S1CCn2c1nc(NC(=O)COCC)c2C#N	PC-id_60324062	252.293	MAEDOSSXVKAQPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028788
o1c2c(CN(C2)C(=O)OC(C)(C)C)c(c1C)CN	PC-id_84804254	252.309	LEJRBDGDFDMEPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028789
s1c2c(CCC2)c(c1NC(=O)C(C)C)C(=O)[O-]	PC-id_7063466	252.309	IKUUVQWUDCWTPN-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-028790
c1(C(=O)OC)c2C(C)CCc2n(CC(CC)O)n1	MCULE-1524911237,EMOLS-id_330995953	252.31	PKLUAAMJRIDVHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028791
c1(C(=O)OC)c2C(C)CCc2nn1CC(CC)O	EMOLS-id_330978994,MCULE-3999361914	252.31	UMDUZZLWKLPKMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028792
c1(C(=O)OCC)c2C(C)CCc2n(CCCO)n1	MCULE-9902274666,EMOLS-id_331001847	252.31	AMHAEXZQZIIACR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028793
c1(C(=O)OCC)c2C(C)CCc2nn1CCCO	MCULE-2261491285,EMOLS-id_330983864	252.31	IUXWFWJKCWTUEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028794
c1(C(=O)OC(C)(C)C)c2COCc2nn1CCC	MCULE-1944289095,EMOLS-id_324399959	252.31	ZVMSLFAQNJEEEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028795
o1c2c(CN(C2)C(=O)OC(C)(C)C)cc1CCN	PC-id_84804257	252.31	WOUBWTVPNZVBFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028796
c12CN(Cc1n(nc2)CCO)CC1(CNCC1)O	PC-id_70788255,EMOLS-id_43606131,MCULE-4754082961	252.313	XFCJMNVTAOBKKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028797
c12CN(Cc1n(nc2)CCO)CC(=O)NC(C)C	MCULE-2291152293,ZINC22_244795751,EMOLS-id_55618104,PC-id_91830670	252.313	RMXSJGRWULULOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028798
c12CN(Cc1nn(CC)c2N)C(=O)OC(C)(C)C	PC-id_97627167,MCULE-7910527382,ZINC22_96528286,EMOLS-id_49201570	252.313	HRBWETBZSHUVBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028799
c12CN(Cc1nn(C(C)C)c2CN)C(=O)OCC	EMOLS-id_324349806,MCULE-9472113768	252.313	PDPMYROOUDSWGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028800
c12CN(Cc1nn(CC(C)C)c2CN)C(=O)OC	EMOLS-id_324347758,MCULE-6539192983	252.313	SWHLXBZUKMLFNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028801
c12CN(Cc1nn(CC(C)C)c2N)C(=O)OCC	MCULE-4135096166,EMOLS-id_324340069	252.313	ZUDLQDORQSEYBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028802
Cc1c2n(CCO2)nc1C(=O)NCCCN(C)C	PC-id_91959952	252.313	TXZFXGHKZHAXGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028803
CC1CC(c2n1ncn2)NCCC1(C)OCCO1	EMOLS-id_316584416	252.313	QIWPLDPULSDLTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028804
CCC1N(Cc2c(N)n[nH]c12)C(=O)OC(C)(C)C	PC-id_45489939,EMOLS-id_49254683,MCULE-2028272893	252.313	XPBMVQGCOXDKGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028805
CC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C1(C)C	EMOLS-id_36252597,ZINC22_32914968,EMOLS-id_195852429,SCHEMBL1368936,EMOLS-id_49833118,MCULE-5203110893,PC-id_40152088	252.313	XOQXOJPUZGHMLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028806
CCC(C(=O)OC)NC(c1nnc2n1CCC2)C	PC-id_113292528	252.313	HOZARAFELRGRPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028807
CC[C@@H]1c2[nH]nc(N)c2CN1C(=O)OC(C)(C)C	PC-id_52324532,ZINC22_49587327	252.313	XPBMVQGCOXDKGN-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028808
CC[C@H]1c2[nH]nc(N)c2CN1C(=O)OC(C)(C)C	PC-id_52324533,ZINC22_49587328,EMOLS-id_337809313	252.313	XPBMVQGCOXDKGN-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028809
CCCOCC(=O)NC(c1nnc2n1CCC2)C	PC-id_113227421	252.313	FQVNDAUZHRUZBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028810
C[C@H]1C[C@H](n2c1nc(n2)C(=O)N(C)OC)C(C)C	PC-id_137412461,SCHEMBL20645869	252.313	WZHJXMSFZGCFEJ-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028811
C[C@H](NC(=O)OC(C)(C)C)c1nnc2n1CCC2	PC-id_96675196,ZINC22_82610596	252.313	UKZJVDPRXGIYHW-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028812
C[C@@H](NC(=O)OC(C)(C)C)c1nnc2n1CCC2	PC-id_96675198,ZINC22_82610598	252.313	UKZJVDPRXGIYHW-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028813
CCn1nc(N)c2CN(Cc12)C(=O)OC(C)(C)C	MCULE-3645080942,PC-id_105509666,EMOLS-id_259606434,SCHEMBL18471600	252.313	GUOPHXAJCPISHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028814
CCNc1n[nH]c2CN(Cc12)C(=O)OC(C)(C)C	EMOLS-id_259606424,MCULE-5582098504	252.313	QSSXTBVVIHQPLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028815
CCN(CC)CCNC(=O)c1nn2CCOc2c1	PC-id_91959871	252.313	PDSWXDQPFQVYJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028816
CCN(C(=O)c1nc2c(n1CC)CN(C2)O)CC	SCHEMBL17380560,PC-id_118614293	252.313	RJQPJDYBCITFMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028817
CCNC(=O)C(C)N1Cc2c(C1)n(nc2)CCO	MCULE-4104120215,PC-id_91838465,EMOLS-id_55672099	252.313	VRTVWGZUTLVFJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028818
CC(NC(=O)OC(C)(C)C)c1nnc2n1CCC2	EMOLS-id_40035648,PC-id_63789748,CHEMBL4582540,MCULE-4115485796	252.313	UKZJVDPRXGIYHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028819
CCOC(C(=O)NC1CC(n2c1ncn2)C)(C)C	EMOLS-id_320260123,MCULE-3204899451	252.313	CHXFQTOHPHPLIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028820
CC(OCC(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_112686927	252.313	YOTSDIUNVUBWKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028821
CCO[C@@H]1COC[C@H]1NC1CC(n2c1ncn2)C	EMOLS-id_316585961	252.313	CTVZIEPKCWQDFG-JPPWEJMLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028822
CCOC(=O)n1c2c(CN(C2(C)C)C)c(n1)NC	PC-id_89925134,SCHEMBL15417570	252.313	JTLLNIVZFHLGTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028823
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C)NC	PC-id_89925135,SCHEMBL15417571	252.313	OYAJVURCEKGHCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028824
O=C(NC(c1nnc2n1CCC2)C)COC(C)C	PC-id_112686925	252.313	YLRJJHOYONHQAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028847
COC(CC(=O)Nc1n(C)nc2c1CCC2)CN	MCULE-1251262991,EMOLS-id_302326486,PC-id_120594479	252.313	KRMILGJFAOQIKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028825
COCCNCCNC(=O)c1n[nH]c2c1CCC2	MCULE-1687114964,EMOLS-id_302046138,PC-id_120159392	252.313	UKLZGFCSBHCOLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028826
COCCNCC(=O)Nc1n(C)nc2c1CCC2	MCULE-1171585617,EMOLS-id_302170249,PC-id_119822862	252.313	KEYWIVORCNSKBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028827
COC(C(=O)N(Cc1nnc2n1CCC2)C)(C)C	PC-id_113233379	252.313	CHQNTZIVXSXPTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028828
CON(CCCNC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_258202072,MCULE-2600296404	252.313	VOPWFUPZHDFJHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028829
N1(Cc2c([nH]cn2)C1(C)CN)C(=O)OC(C)(C)C	MCULE-7379612078	252.313	OOGVURFWKHDUHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028830
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2CCN)C1	PC-id_83866731	252.313	GWTDCNKGRPIMOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028831
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2CNC)C1	PC-id_83866733	252.313	ANDXLVMOTYRWMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028832
O(C(C)(C)C)C(=O)N1Cc2c(nn(c2CN)C)C1	PC-id_83866761	252.313	LMLYOSSGTVTTTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028833
O(C(C)(C)C)C(=O)N1Cc2c(nn(c2NC)C)C1	PC-id_83866758	252.313	RWEUYNOFCZQDPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028834
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)CCN	PC-id_83949402	252.313	OOGGJJKCIHMMHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028835
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)C(N)C	PC-id_83949398	252.313	MCKGQHSKABRCPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028836
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)CNC	PC-id_83949412	252.313	WFNKVGIOJKVWNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028837
O(C(C)(C)C)C(=O)N1Cc2n(nc(NC)c2C1)C	PC-id_83866726	252.313	JFVPMSDZVUKFSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028838
O(C(C)(C)C)C(=O)NC1CCc2c1nn(c2N)C	PC-id_83919821	252.313	XWSWXKFDPIEVNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028839
O(C(C)(C)C)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_63787812	252.313	CJRZXCUCNQLSCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028840
OCCCCC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_315421259,PC-id_79200038	252.313	OIADCWUKONOOEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028841
OCCCCC(=O)NC(c1nnc2n1CCC2)C	PC-id_79199593,EMOLS-id_315422282	252.313	RUKOLBCJGQIJAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028842
OC(CCC(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_79204891	252.313	URMFNQDLQMDNTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028843
OC(CCC(=O)NC(c1n2CCCc2nn1)C)C	PC-id_79205076	252.313	CXAYPFJBCBAQID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028844
OCCn1ncc2c1CN(C[C@]1(O)CCNC1)C2	ZINC22_77564986,PC-id_96409497	252.313	XFCJMNVTAOBKKR-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028845
OCCn1ncc2c1CN(C[C@@]1(O)CCNC1)C2	ZINC22_77564991,PC-id_96409498	252.313	XFCJMNVTAOBKKR-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028846
OC(=O)CCC(NC(c1n2CCCc2nn1)C)C	PC-id_64493483	252.313	KHFBNRLZNKZQOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028848
O(C(=O)N1Cc2c(n(nc2CN)C)C1)C(C)(C)C	PC-id_83866729	252.313	BTUIDKYWWCTHFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028849
S1Cc2c(noc2NC(=O)c2sccc2)C1	PC-id_49720094	252.313	XUKWKUFCMYBTSX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028850
O=C(c1cccs1)Nc1nnc2n1CCS2	PC-id_22582985,CoCoCo_2590545	252.316	KCEWAMFRFIYGPG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-028851
c1(C(=O)OC)c2CSCc2nn1CC1CCC1	MCULE-5915651312,EMOLS-id_324397146	252.333	WUMUHLBFVDRRLG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028852
c1(NC(=O)CCC)sc2c(CCC2)c1C(=O)N	CoCoCo_346247,SPECS-id_AN-153/KC16196,PC-id_3153454,ZINC22_4570195,EMOLS-id_1477814,BAS-06186143,MCULE-3548157968,SPECS-id_AP-970/40943985	252.333	QZOJEWOTMVPFPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028853
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)N	ZINC22_6262797,EMOLS-id_3969995,SPECS-id_AP-970/40946223,CoCoCo_6449729,PC-id_4502898,TIMTEC477564,SPECS-id_AN-153/I293180,MCULE-5496051019	252.333	UIJBISXMIOPDQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028854
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_13439877,CoCoCo_2590283,PC-id_7475022,MCULE-2542532803	252.333	FGEFZLRUVOKXFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028855
c1(snc2CCCc12)NC(=O)C1CCOCC1	ZINC22_1850026671,EMOLS-id_330469202,MCULE-2518414535	252.333	LMPVCSBJXMXYEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028856
CC1CC1CNc1nc2c(s1)CCC2C(=O)O	PC-id_116022004	252.333	PVNVPGGWPGCITG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028857
CC1CC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_116048279	252.333	GEGDKXPXULVYRE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028858
CCC1CC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_105769474	252.333	ZAVFCMUIYRSHFQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028859
CC(C)(C)C(=O)N1Cc2c(C1)sc(c2)C(=O)N	PC-id_91354990	252.333	MQXMNCTYRJVIDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028860
CCN(c1nc2c(s1)CCC2C(=O)O)C1CC1	PC-id_104287833	252.333	BAGWSLVHCNNRFD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028861
CC(=O)CC(=O)NCCc1nc2CCCc2s1	EMOLS-id_181138570,PC-id_110460617,MCULE-8379747725	252.333	QALNOAIJQVWOJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028862
CCOC(=O)C1CCc2c1nc(s2)NC1CC1	PC-id_104287455	252.333	HJLMNZUXCNIAQI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028863
OCC1(CCC1)C(=O)Nc1sc2c(n1)CCC2	MCULE-5285633110,EMOLS-id_320234150	252.333	MEAPOGDIAZGCTH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028864
O=C(c1c(N)sc2c1CCC2)N1CCOCC1	PC-id_4778155,EMOLS-id_37577466	252.333	CVMRIXXIVFQEOX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028865
O=C(CC(C1CC1)O)Nc1sc2c(n1)CCC2	EMOLS-id_319335184	252.333	QZVSOJNEOOGZHK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028866
O=CCCNC(=O)c1c(NC)sc2c1CCC2	PC-id_143029448	252.333	OMPORNWBKPRLDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028867
O[C@@H]1CNC[C@@H]1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319700285	252.333	FZRPSOPCYYGNFQ-DTWKUNHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028868
O=C(Nc1nc2c(s1)CCC2)C1CCOCC1	ZINC22_25768365,PC-id_33040042,MCULE-4655008420,EMOLS-id_33299532	252.333	GKYPQWFSIHAWRK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028869
OC(=O)C1CCc2c1nc(s2)NC1CC1(C)C	PC-id_104288181	252.333	MTPCDPIVEAMZHF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028870
OC(=O)C1CCc2c1nc(s2)N(C1CCC1)C	PC-id_116356873	252.333	XUJOTNHHADDEIJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028871
OC(=O)C1CCc2c1nc(s2)NC1CCCC1	PC-id_104287459	252.333	UHKWHXSUSFLQNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028872
OC(=O)C1CCc2c1nc(s2)NC1(C)CCC1	PC-id_116196559	252.333	INGMBSJYVPCUNR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028873
OC(=O)C1CCc2c1nc(s2)NC(C1CC1)C	PC-id_104287909	252.333	ZCZCTWFSWIWAFH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028874
OC(=O)C1CCc2c1nc(s2)N(CC1CC1)C	PC-id_104288063	252.333	DFIKGQYSLNOTTH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028875
OC(=O)C1CCc2c1nc(s2)NCC1CCC1	PC-id_104287861	252.333	QVCYNUIMDLOYRK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028876
OC(=O)C1CCc2c1nc(s2)NCC1(C)CC1	PC-id_105713385	252.333	NHKXKCSMTAWDGQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028877
OC(=O)C1CCc2c1nc(s2)NCCC1CC1	PC-id_104288994	252.333	JMSACRSJBVGCDV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028878
s1c2CCCc2cc1C(=O)NCC(=O)NCC	PC-id_9224531	252.333	LQDCMQPTNFTBNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028879
s1c2CCCc2cc1C(=O)NCC(=O)N(C)C	PC-id_9480681	252.333	CVBUMPXWLCSPBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028880
s1c2CCCc2cc1C(=O)NNC(=O)C(C)C	PC-id_27684383	252.333	LRMIBGOUDFQEQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028881
s1c2CCCc2cc1C(=O)NNC(=O)CCC	PC-id_27684405	252.333	YGVPLVWZDILAPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028882
s1c2C(=O)N(C(CCC)(C)C)C(=O)c2nc1C	PC-id_85635109	252.333	CRDIDGMMIUFGSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028883
s1c2C(=O)N(C(C)(C)C)C(=O)c2nc1CCC	PC-id_85635023	252.333	DFHCMIQKYSNUOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028884
S1Cc2c(onc2C1)NC(=O)C1CCCCC1	PC-id_49719022	252.333	RBNNIDGDZLDGDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028885
S1Cc2c(onc2C1)NC(=O)CC1CCCC1	PC-id_49719027	252.333	ZLOBYXAJSAPGMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028886
c12CN(Cc1sc(N)n2)CC(=O)N1CCCC1	MCULE-5725466536,PC-id_82194298	252.336	YWEYTAOIPMNHLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028887
c1(NC(=O)CC2CCCC2)nnc2SCCn12	EMOLS-id_16349345,ZINC22_16890265,MCULE-1267208944,PC-id_22582934,GD-id_ZINC16890265,CoCoCo_2590463	252.336	ZBFJZFZNTLEUIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028888
c1(NC(=O)[C@@H]2CCCN2)n(C)nc2CSCc12	PC-id_134696627,ZINC22_1529099384,MCULE-6058979189,EMOLS-id_316155554	252.336	WNQBYNOUFIHUKP-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028889
c1(nnc2SCCn12)NC(=O)C1CCCCC1	ZINC22_16890267,PC-id_22582931,MCULE-2105196901,EMOLS-id_16349339,CoCoCo_2590459	252.336	KSZOLIJUMNAWAQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028890
O=C(NC1CCn2c1ncc2)NCC1CSC1	EMOLS-id_279076611	252.336	VRAWDYAPDGKPLL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028891
s1c2CCC(c2nc1N)C(=O)N1CCNCC1	PC-id_82511821	252.336	SISUKRXGWDOTGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028892
CC(CNCc1noc2c1C(C)(C)OC2(C)C)C	EMOLS-id_315483855,PC-id_80462662	252.353	LMPUIQHILZUJDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028893
CC(NCc1noc2c1C(C)(C)OC2(C)C)(C)C	PC-id_80462414,EMOLS-id_314702017	252.353	FTQCGNCLJVLRKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028894
c12C(C)CCc1nn(Cc1ccccc1C1CC1)c2	EMOLS-id_330998700,MCULE-8802227651	252.354	ABLQTGBKTWMOIN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-028895
c12C(C)CCc1nn(Cc1cccc(c1)C1CC1)c2	MCULE-8004043044,EMOLS-id_330997933	252.354	QEAWXOGNWXWYER-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-028896
CC1CCc2c1cnn2Cc1ccccc1C1CC1	MCULE-5240334309,EMOLS-id_331016942	252.354	ICSUMBYVRUTJJJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-028897
CC1CCc2c1cnn2Cc1cccc(c1)C1CC1	MCULE-6289250162,EMOLS-id_331016175	252.354	PMUGHZKRRKLRIP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-028898
CC1CC(c2n1ncn2)NCC(C(O)(C)C)(C)C	EMOLS-id_319905585,MCULE-9106317317	252.356	IPMFRZFHEZNFRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028899
CC(CC(CNC1CC(n2c1ncn2)C)(C)C)O	EMOLS-id_279083881	252.356	NTEXMTIVHOCFBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028900
CCOCC(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_279086494	252.356	DQCIMYFOSMOCAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028901
COC(CCNC(c1nnc2n1CCC2)C)(C)C	PC-id_106675343	252.356	JMVPHKXTQKZFTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028902
COCCNCCCNCc1n[nH]c2c1CCC2	PC-id_113410526	252.356	AAHRXIBRMGRPAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028903
COCCNCC(NCc1n[nH]c2c1CCC2)C	PC-id_104397506	252.356	JMTPZFZHVDJJAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028904
COCCNCCN(Cc1n[nH]c2c1CCC2)C	PC-id_104414570	252.356	OHWOYQPOGSYCHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028905
OC(CC(C)(C)C)CNC1CC(n2c1ncn2)C	MCULE-1314374531,EMOLS-id_320251042	252.356	TWGGXVMZTHGUKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028906
OCC(CNC(c1n2CCCc2nn1)C)(CC)C	PC-id_81413392	252.356	IVTRWOUCRUWMBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028907
O(CC(NC(c1n2CCCc2nn1)C)C(C)C)C	PC-id_80408225	252.356	KDXYVYNQSMBQDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028908
O=C(NC1=NCCS1)c1cc2c(s1)CCC2	ZINC22_3287437,EMOLS-id_45715521,PC-id_2402939,MCULE-2543718289	252.356	SAAVFAVKZQWCEU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-028909
Cc1nnc(s1)NCc1sc2c(n1)CCC2	PC-id_115924967	252.359	ULMWDXVTNVFABH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028910
Cc1nsc(n1)NCc1sc2c(n1)CCC2	PC-id_115924879	252.359	ZUYGHZVAOGBVNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028911
Nc1nsc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_41841525,PC-id_66278996	252.359	AJPDBEJNHROLJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028912
CCC1CCc2c1c(cs2)C(=O)OC(C)(C)C	PC-id_114748287	252.372	ZGEKFKLJQFKEII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028913
CCc1c(CC(C)C)sc2c1CCC2C(=O)O	PC-id_70433274,SCHEMBL10747772	252.372	PCLCLFNCWKTBJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028914
CC(Cc1cc2c(s1)C(CC2)CCC(=O)O)C	SCHEMBL10745994,PC-id_20213646	252.372	LQZGMPQSOTYMAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028915
CCOC(=O)C1CCc2c1sc(c2)CC(C)C	PC-id_13588843,SCHEMBL10747767	252.372	OKIZKXGTNREFBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028916
COC(CCC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_103024647	252.372	QKAOBAAHOXDPFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028917
O=C(c1csc2c1C(C)(C)CC2)OC(C)(C)C	PC-id_114748273	252.372	GAXDAUBRQUANSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028918
OC(c1sc2c(c1)CCC2)CC1CCOCC1	PC-id_113659933	252.372	JELPGHQFUPONNN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028919
OC(c1sc2c(c1)CCC2)CCC1CCCO1	PC-id_113662615	252.372	KNBRRBPNILLGFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028920
c1(NC(=O)CCCCCC)sc2c(CCC2)n1	PC-id_84559277,MCULE-5350619379,EMOLS-id_181476808	252.376	ZSQGXTXEBUMHET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028921
CC1CC(C)(C)c2sc(N)c(C(=O)N(C)C)c12	EMOLS-id_337900843,PC-id_113861646	252.376	SLPVPEXVGUXMHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028922
CC1(C)OC(c2c1sc(n2)CNC1CC1)(C)C	EMOLS-id_315470639,PC-id_79916797	252.376	HAHQZPMZTCMAPF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028923
CC1(C)OCCC(C1)Sc1[nH]c2c(n1)CCC2	EMOLS-id_102859168	252.376	LQACMKQVGUQFSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028924
CCC1CCc2c1c(C(=O)NC(C)C)c(s2)N	PC-id_116176033,EMOLS-id_314562155	252.376	WHGOFWXNXVYGFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028925
CC(C1CCN(C1)Cc1sc2c(n1)CCC2)O	PC-id_110022742	252.376	NZKUQGCLIVEZMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028926
CC(c1sc2c(n1)CCC2)NCC1(O)CCC1	PC-id_109908760	252.376	HCIVKTIHUKPULM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028927
CCCCCC1C(Cc2c1nc(s2)N)CC=O	PC-id_89107917,SCHEMBL13523021	252.376	SWOFCKOJURPRDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028928
CC(CCC(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_40255578,PC-id_64090252	252.376	PTLFGHUXNNRFHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028929
CCCC(C(=O)NCc1sc2c(c1)CCC2)N	PC-id_61208784,EMOLS-id_38138797	252.376	YNPPRPQPLZUXBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028930
CCC(CC(=O)NCc1sc2c(c1)CCC2)N	PC-id_81977466,EMOLS-id_261497517	252.376	YXKXVAYJLXWAGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028931
CC(C)CC(=O)NCCc1nc2CCCc2s1	PC-id_110460681,MCULE-4623253662,EMOLS-id_181138825	252.376	IZPDGQCVSXEZFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028932
CC(C)(C)C(=O)NCCc1nc2CCCc2s1	PC-id_110460717,EMOLS-id_181138977,MCULE-7339962249	252.376	YUVZIALWMUMHPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028933
CCC[C@H](C(=O)NCc1sc2c(c1)CCC2)N	PC-id_113264037	252.376	YNPPRPQPLZUXBZ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028934
CCC[C@@H](C(=O)NCc1sc2c(c1)CCC2)N	PC-id_113975951	252.376	YNPPRPQPLZUXBZ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-028935
CCCC(NC(=O)c1sc2c(c1)CCC2)CN	PC-id_65191307,EMOLS-id_41075123	252.376	IHXRQNPSCGLBFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028936
CCC(C(=O)NCc1sc2c(c1)CCC2)CN	EMOLS-id_41104239,PC-id_65229166	252.376	UHMQFDXOCWZSEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028937
CCC(C(=O)NCc1sc2c(c1)CCC2)(N)C	EMOLS-id_42529357,PC-id_79805531	252.376	YKDPCWAWSAEPRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028938
CCCNCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_39262966,PC-id_55101012	252.376	TWVWUXYIGXHFSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028939
CCCNCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38602831,PC-id_61811558	252.376	WKFQWXROPJQEJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028940
CCCNC(=O)c1c(N)sc2c1C(CC)CC2	EMOLS-id_314561387,PC-id_113483510	252.376	XIYCPFSIZIFJDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028941
CCCNC(=O)c1c(N)sc2c1C(C)(C)CC2	PC-id_79863827,EMOLS-id_42566877	252.376	VRUXNAWOGOXDQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028942
CCCNC(=O)CNCc1sc2c(c1)CCC2	PC-id_61207795,EMOLS-id_38138729	252.376	UGKBLKLQGSLLAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028943
CC(C)OC1CN(Cc2nc3c(s2)CCC3)C1	EMOLS-id_316944469,ZINC22_874435225,MCULE-3855325441	252.376	NSWLUOLCYXDJCN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-028944
CC(C(=O)NCc1sc2c(c1)CCC2)C(N)C	PC-id_113416263	252.376	TUGTYDISLQHFDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028945
CCNCCCNC(=O)c1sc2c(c1)CCC2	PC-id_43601671,EMOLS-id_37745702	252.376	IEFDOJOXHFGSKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028946
CCN(CC)C(=O)c1c(N)sc2CCC(C)c12	EMOLS-id_40959178,PC-id_65046542	252.376	YRAWCMDGQWYDTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028947
CCNCCC(=O)NCc1sc2c(c1)CCC2	PC-id_62834224,EMOLS-id_39410989	252.376	YJRAWMKVEBBYTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028948
CC(NCCNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_39263422,PC-id_62659576	252.376	KFNWYXFEJIADKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028949
CC(NCC(=O)NCc1sc2c(c1)CCC2)C	PC-id_61208961,EMOLS-id_38138803	252.376	FKCDOLXIWFXLJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028950
CCN[C@@H](CNC(=O)c1sc2c(c1)CCC2)C	MCULE-1645284961,PC-id_120655233,EMOLS-id_302403237	252.376	QZJPAXOZAYOKOO-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028951
CCNC(=O)c1c(N)sc2c1C(C)CC2(C)C	PC-id_106662926	252.376	CGPIOEQQNLOPEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028952
CC(NC(=O)c1c(N)sc2c1C(C)(C)CC2)C	EMOLS-id_42566881,PC-id_79863918	252.376	STPBLOXKBBDRBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028953
CCNC(=O)CCNCc1sc2c(c1)CCC2	EMOLS-id_38953648,PC-id_62324786	252.376	ISFKXPIEDZRDDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028954
CCN(C(=O)CNCc1sc2c(c1)CCC2)C	EMOLS-id_38138643,PC-id_61207977	252.376	SPIZGGCAXGIGNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028955
CC(NC(=O)CNCc1sc2c(c1)CCC2)C	EMOLS-id_38138711,PC-id_61208757	252.376	PAVVHNNLEIFADC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028956
CCNC(=O)C(NCc1sc2c(c1)CCC2)C	PC-id_61207244,EMOLS-id_38138687	252.376	WSENLNQBERIQOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028957
CC(=O)N(C)CCc1nc2c(s1)CCC2(C)C	PC-id_122153091,MCULE-6220821934,ZINC22_334605204,EMOLS-id_172342239	252.376	ZMFWLTSFOYILLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028958
CNC(c1sc2c(n1)CCC2)(C1CCOC1)C	PC-id_116176763	252.376	DHUXIDLIOSKPEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028959
CNCCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38138805,PC-id_61208785	252.376	SEJVQBCPZBDRMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028960
CNCCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_80396541,EMOLS-id_315458487	252.376	SGUQUUXRUQCUPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028961
CNCC(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_81478583,EMOLS-id_301726178	252.376	ZYSLOKCXBUEMHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028962
CN(CCCNC(=O)c1sc2c(c1)CCC2)C	PC-id_86978151	252.376	RSLNBSNHMOYPJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028963
CNCC(C(=O)NCc1sc2c(c1)CCC2)C	EMOLS-id_42094672,PC-id_79202212	252.376	QMIDQOYXYIRTBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028964
CN(CCON=C1CC(c2c1scc2)(C)C)C	SCHEMBL9467453,PC-id_44210920	252.376	SJPUDLQGCDMEIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028965
CNC(C(=O)NCc1sc2c(c1)CCC2)(C)C	PC-id_62847281,EMOLS-id_39413767	252.376	RRSWBBUSVCRNIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028966
CNC(=O)CCCNCc1sc2c(c1)CCC2	EMOLS-id_40103730,PC-id_63891405	252.376	FQOQMGKOTCPPGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028967
CN(C(=O)CCNCc1sc2c(c1)CCC2)C	EMOLS-id_38138629,PC-id_61206864	252.376	CVLSUAOMKZXNNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028968
CN(C(=O)C(NCc1sc2c(c1)CCC2)C)C	EMOLS-id_38138735,PC-id_61207614	252.376	ZTJCANMASDUXQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028969
COC1CCCC(C1)Sc1[nH]c2c(n1)CCC2	MCULE-9679093839,PC-id_145906554,EMOLS-id_320362362	252.376	MWXUEHWHAMIQMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028970
n1c2CCCc2sc1C(C)NCC1CCCO1	MCULE-3381205731,PC-id_46784929	252.376	WTNXUMZNYJMSON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028971
NCC(C(C)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_41075671,PC-id_65191442	252.376	QCNFFUDVABXWFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028972
NC(C(C)C)CNC(=O)c1sc2c(c1)CCC2	PC-id_64174419,EMOLS-id_40326188	252.376	QMRLMDRVEJBYKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028973
NCCCCC(=O)NCc1sc2c(c1)CCC2	PC-id_64044907,EMOLS-id_40216284	252.376	ZZBINLLFCBVOFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028974
NCCC(C(=O)NCc1sc2c(c1)CCC2)C	EMOLS-id_315465206,PC-id_80543875	252.376	FVHVFERKLXHNEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028975
NCC(CC(=O)NCc1sc2c(c1)CCC2)C	PC-id_81086564,EMOLS-id_315556940	252.376	JDRKJRREPGCFKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028976
NCC(C(=O)NCc1sc2c(c1)CCC2)(C)C	PC-id_81489013,EMOLS-id_314856298	252.376	KFASMMZEWNMYGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028977
NC(C(=O)NCc1sc2c(c1)CCC2)C(C)C	EMOLS-id_300609113,PC-id_61208595	252.376	JSJVQFMTTYAXME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028978
N[C@H](C(=O)NCc1sc2c(c1)CCC2)C(C)C	PC-id_61208400,EMOLS-id_38138773	252.376	JSJVQFMTTYAXME-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028979
N[C@@H](C(=O)NCc1sc2c(c1)CCC2)C(C)C	PC-id_79012812,EMOLS-id_41318893	252.376	JSJVQFMTTYAXME-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028980
NNC(c1sc2c(c1)CCC2)C1CCCOC1	PC-id_107139760	252.376	ODQSLPUUHOBEOR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028981
NNC(c1sc2c(c1)CCC2)C1CCOCC1	PC-id_105306211	252.376	AHDMWVYBADJJSL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-028982
OC1CCCC1CNCc1sc2c(n1)CCC2	PC-id_109948674	252.376	KXSZBAOYVDKRTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028983
OC1CCCCC1NCc1sc2c(n1)CCC2	PC-id_109948587	252.376	CXEJERTTZCXYHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028984
OCC1(CCCC1)NCc1sc2c(n1)CCC2	PC-id_109948698	252.376	LEQAGQNEFNOXBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028985
OCC1CCCN(C1)Cc1sc2c(n1)CCC2	PC-id_109973843	252.376	ALCUYLVTGWQBTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028986
OCC1CCN(CC1)Cc1sc2c(n1)CCC2	PC-id_109974619	252.376	JUVUGOMTFJENMA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028987
OCC1(CNC(c2sc3c(n2)CCC3)C)CC1	PC-id_110017290	252.376	YQXQXYTYJMPMRQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028988
OCC(C1CC1)(NCc1sc2c(n1)CCC2)C	PC-id_109948701	252.376	AAJSUJSKSKBLOT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028989
O=C(CC(N)(C)C)NCc1sc2c(c1)CCC2	PC-id_64678392,EMOLS-id_40697647	252.376	YRAUQORDVYYZJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-028990
s1c(nc2c1CCC2)C(NC1CC1)(COC)C	PC-id_62535318	252.376	KDTSBXWAGZAWON-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028991
s1c(nc2c1CCC2)C(NC)(C1CC1)COC	PC-id_80411045	252.376	GRYDYJNHAIUCNF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028992
s1c(nc2c1CCC2)C(NC)C1CCCOC1	PC-id_63740075	252.376	QQDFSGAMSFGOEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028993
s1c(nc2c1CCC2)C(NC)C1CCOCC1	PC-id_55066614	252.376	JPHFSKYUAIZXGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028994
s1c(nc2c1CCC2)C(NC)C1OC(CC1)C	PC-id_82838319	252.376	PRDBNJDUCLAMBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028995
s1c(nc2c1CCC2)C(NCC)C1CCOC1	PC-id_61332023	252.376	OVJRGMOHJRYLCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028996
s1c(nc2c1CCC2)C(NCC)C1OCCC1	PC-id_82836767	252.376	VGDVMHVRZKRECU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-028997
s1c(nc2c1CCC2)C(NCCOC)C1CC1	PC-id_62541925	252.376	JXKPFACGQHLKBC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-028998
s1c(nc2c1CCC2)C(O)CC1CCNCC1	PC-id_84737827	252.376	NFNVHWFEXBDMJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-028999
s1c(nc2C(OC(c12)(C)C)(C)C)C(N)C1CC1	PC-id_79918450	252.376	IJFLBEDOLHBONI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029000
CC1CSCC1NC(c1nnc2n1CCC2)C	PC-id_114285172	252.379	WORKUQWVWVSXQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029001
CC1SCCC1NC(c1nnc2n1CCC2)C	PC-id_102672905	252.379	MVEGCRAZFDASKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029002
CC(c1nnc2n1CCC2)NCC1CSCC1	PC-id_107131781	252.379	LNMWMBNCNOKMFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029003
s1c2CN(CCN3CCCCC3)Cc2nc1N	PC-id_82194321	252.379	BBULVUZDDLOKQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029004
S1C(CC(NC(c2n3CCCc3nn2)C)C1)C	PC-id_79942651	252.379	BMWQTPQTEVZFNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029005
S1CCC(NC(c2n3CCCc3nn2)C)CC1	PC-id_43748197	252.379	DOFZMAVUEJRTOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029006
S1CC(NC(c2n3CCCc3nn2)C)CCC1	PC-id_55130064	252.379	WJBIDAHVWBREDZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029007
S1C(CCC1)(C(=O)c1sc2c(CCC2)c1)C	PC-id_81451204	252.396	LEODACYKVHWYDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029008
S1C(CCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_80595134	252.396	URTUTPUTHJGASL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-029009
C#CCSCCNCc1sc2c(n1)CCC2	PC-id_115887649	252.399	FEDXPYUIVJASTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029010
CCCCCCCC(c1sc2c(c1)CCC2)O	PC-id_115783041	252.415	BEVLLAFLVMLRHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029011
CCC(c1sc2c(n1)CCC2)(NC(C)C)CC	EMOLS-id_38238150,PC-id_61336206	252.419	SHBXISCEMOJNOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029012
CCCC(c1sc2c(n1)CCC2)(CCC)NC	PC-id_61332354,EMOLS-id_38236596	252.419	GPSWTSOXHMJYPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029013
CCCC(c1sc2c(n1)CCC2)(NC(C)C)C	EMOLS-id_38238122,PC-id_61335617	252.419	MHNWTLBTWAWXPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029014
CCCC(c1sc2c(n1)CCC2)(NCC)CC	PC-id_114079945	252.419	JQQCKYIMDTWSRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029015
CC(CC(c1sc2c(n1)CCC2)NC(C)C)C	PC-id_61335619,EMOLS-id_38238148	252.419	CBPHXGRWWQNMBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029016
CCCCC(c1nc2c(s1)CCC2)NCCC	PC-id_61335571,EMOLS-id_38237720	252.419	ATLFCJRZHMTBDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029017
CCC(CC(c1sc2c(c1)CCC2)NN)CC	PC-id_105331036	252.419	RQQRXPVUZKVJEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029018
CCCCC(c1sc2c(n1)CCC2)NC(C)C	EMOLS-id_38238142,PC-id_61334443	252.419	VISYXFNMZGDBRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029019
CCCCC(c1sc2c(n1)CCC2)(NC)CC	EMOLS-id_40149877,PC-id_63950852	252.419	GFGUOJXQNRXEJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029020
CCCC(CC(c1sc2c(c1)CCC2)NN)C	PC-id_105298142	252.419	AEPHFOFSJJSDHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029021
CCCCCC(c1sc2c(n1)CCC2)NCC	PC-id_61332188,EMOLS-id_38237240	252.419	PQUWIRUXHKXIRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029022
CCCCCC(c1sc2c(n1)CCC2)(NC)C	PC-id_80558796,EMOLS-id_314460377	252.419	YRKUUYXXSWROJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029023
CCCCCCC(c1sc2c(c1)CCC2)NN	PC-id_105293974	252.419	YMTBKMXZQUTYDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029024
CCCCCCC(c1sc2c(n1)CCC2)(N)C	EMOLS-id_38235546,PC-id_61330299	252.419	AUDKVGYVFKVWFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029025
CCCCCCC(c1sc2c(n1)CCC2)NC	EMOLS-id_38236548,PC-id_61332939	252.419	BQLRARQUOSXSSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029026
CCCCCCCC(c1sc2c(n1)CCC2)N	EMOLS-id_38235552,PC-id_61330497	252.419	OIWPQZZKOIKOBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029027
CCCNC(c1sc2c(n1)CCC2)CC(C)C	EMOLS-id_38237726,PC-id_61333615	252.419	GMFICCKMXJRIOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029028
CCCNC(c1sc2c(n1)CCC2)(CC)CC	EMOLS-id_38237728,PC-id_61334010	252.419	ISFXGDRZSCIISS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029029
CCCNC(c1sc2c(n1)CCC2)(CCC)C	EMOLS-id_38237738,PC-id_61336162	252.419	JPICZZCZICTAPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029030
CCCNC(c1sc2c(n1)CCC2)(C(C)C)C	PC-id_61334598,EMOLS-id_38237732	252.419	WRALTWZWWJQIIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029031
CCCNC(C(C)(C)C)c1sc2c(n1)CCC2	PC-id_61335386,EMOLS-id_38237718	252.419	OPWHUHRKUCGKRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029032
CCCNCCCNCc1sc2c(c1)CCC2	PC-id_104422654	252.419	VRHMYKQGYUGUGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029033
CC(CNCCNCc1sc2c(c1)CCC2)C	EMOLS-id_315866108,PC-id_104379148	252.419	ZTJKINXNYZQBMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029034
CCCNCCN(Cc1sc2c(c1)CCC2)C	EMOLS-id_315911682,PC-id_104413302	252.419	NXOSPIAKJQBBFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029035
CCCNCC(NCc1sc2c(c1)CCC2)C	PC-id_104395803,EMOLS-id_315884302	252.419	WFIYSFIJZDYOLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029036
CC(NCc1sc2c(c1)CCC2)CNC(C)C	EMOLS-id_314848073,PC-id_104396183	252.419	XYJIFYQZYRUENJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029037
CC(NC(c1sc2c(n1)CCC2)(C(C)C)C)C	EMOLS-id_38238116,PC-id_61334049	252.419	IUTQHYXVZUADKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029038
CCNC(c1sc2c(n1)CCC2)CC(C)(C)C	EMOLS-id_39486601,PC-id_62950057	252.419	LBKJFKAPVFYRHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029039
CCNC(c1sc2c(n1)CCC2)C(CC)CC	PC-id_61332222,EMOLS-id_38237290	252.419	WVRQEDKBDHNOMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029040
CCNC(c1sc2c(n1)CCC2)(CC(C)C)C	PC-id_61332378,EMOLS-id_38237256	252.419	JACPSYJYYNPTGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029041
CCNC(c1sc2c(n1)CCC2)(C(C)C)CC	PC-id_61332570,EMOLS-id_38237282	252.419	BLRGCEFHFKJCOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029042
CC(NC(C(C)(C)C)c1sc2c(n1)CCC2)C	PC-id_61334252,EMOLS-id_38238140	252.419	ACDNUFUYANDCDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029043
CC(NCCCNCc1sc2c(c1)CCC2)C	PC-id_104423022,EMOLS-id_315923716	252.419	JPTBGHSUBLGGMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029044
CC(NCCN(Cc1sc2c(c1)CCC2)C)C	EMOLS-id_314856768,PC-id_104413549	252.419	KXSKMPXVDJVQIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029045
CC(NCCNCc1sc2c(c1)CCC2)(C)C	EMOLS-id_315133406,PC-id_113405391	252.419	UCSKBDSPWICPFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029046
CCN(CC(NCc1sc2c(c1)CCC2)C)C	PC-id_103110104	252.419	PCWQDIQMBVPUBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029047
CCN(CCNCc1sc2c(c1)CCC2)CC	PC-id_61208756,EMOLS-id_38138709	252.419	RGGUOFPIZLWYJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029048
CNC(c1sc2c(n1)CCC2)C(CC(C)C)C	PC-id_114201045	252.419	MOULQFDORMRQHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029049
CNC(c1sc2c(n1)CCC2)(CCC(C)C)C	PC-id_61332940,EMOLS-id_38236550	252.419	JKROOYVEGFYLCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029050
NCC(C(C)C)CNCc1sc2c(c1)CCC2	PC-id_113959856	252.419	SASVMKHLXQFAQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029051
NNC(c1sc2c(c1)CCC2)CCC(C)(C)C	PC-id_105299986	252.419	SPMFXHUQQJJFQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029052
NNC(c1sc2c(c1)CCC2)CCCC(C)C	PC-id_105331278	252.419	GWKYFGQSGGRVBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029053
s1c(nc2c1CCC2)C(NCC)(C(CC)C)C	PC-id_61332569	252.419	IGZWXPIUOHXEDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029054
s1c(nc2c1CCC2)C(N)(CC(CC)C)CC	PC-id_61333073	252.419	XAHKUPMSVXTOPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029055
s1c(nc2c1CCC2)C(NC(C)C)C(CC)C	PC-id_61334251	252.419	MPSPRFCWLOBXHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029056
s1c(nc2c1CCC2)C(NCCC)C(CC)C	PC-id_61335385	252.419	NRMRNJQEBJFRGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029057
s1c(nc2c1CCC2)C(NCC)C(CCC)C	PC-id_61965638	252.419	AVUWXPOMVAIXSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029058
CC(C1=S=C(c2c1csc2)C(C)(C)C)(C)C	PC-id_101633357	252.439	HRWNKSQNCUVYGH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-029059
c12SC(CCC)Sc1sc(=S)s2	EMOLS-id_28204453,SCHEMBL13232331,MCULE-5396003096,ZINC22_44069261,PC-id_44629778	252.463	QVGTUNLOIXSBRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029060
s1c2c([Si](C(=C2)[Si](C)(C)C)(CC)C)cc1	PC-id_54121388	252.523	NNXRQRILLPUZQA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-029061
ClC(Cl)(Cl)C(=O)c1n2CCCc2cc1	PC-id_85821354	252.525	IIVUCOVPWFTSQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029062
ClC(Cl)(Cl)C(=O)c1[nH]cc2CCCc12	EMOLS-id_331344900	252.525	MBRNNKXCEILQPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029063
c1(CBr)c2CNCc2sc1Cl	MCULE-5553334490,EMOLS-id_331063854	252.559	ZSPMPLJTBMTXMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029064
c1(CCl)c2CNCc2sc1Br	MCULE-5973530757,EMOLS-id_331064621	252.559	COEZIDZQBAHNDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029065
ClC(=O)Cc1c2CCCc2oc1C(F)(F)F	PC-id_83610586	252.618	LCKQRHSNVYXRHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029066
CC1CCc2c1c(CCl)nn2CC(F)(F)F	EMOLS-id_331026950,MCULE-8142402281	252.664	KMFHVORIMUYCAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029067
CC1CCc2nn(CC(F)(F)F)c(CCl)c12	MCULE-8861914122,EMOLS-id_331012277	252.664	LHPHZMOCIXPLFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029068
CC(n1nc2CCC(C)c2c1Cl)C(F)(F)F	MCULE-9326110095,EMOLS-id_331021231	252.664	CJMXQCBIMKCGTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029069
CC(n1nc(Cl)c2C(C)CCc12)C(F)(F)F	MCULE-4364252952,EMOLS-id_330974707	252.664	FZFCDRWJFBXTRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029070
C1Cn2c(nsc2=Nc2ccc(cc2)Cl)N1	PC-id_136750346	252.723	YMDBBYGGAPAYGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029071
ClCS(=O)(=O)Nc1sc2CCCc2n1	EMOLS-id_39941625,PC-id_63664362	252.742	STRRGQCNQFBGKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029072
Clc1ccc(Nc2[n+]3CCNc3sc2)cc1	PC-id_33778080	252.743	DEPKWZSQIUFAFP-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-029073
ClC(c1sc2c(CCC2)c1)Cc1[nH]ccn1	PC-id_61086068	252.763	ADWYBZKNKPJRAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029074
CC(C1CCC1)n1nc2CCC(C)c2c1CCl	MCULE-5514686182,EMOLS-id_331006141	252.783	IOVKPDQPIQBBCU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-029075
CC(C1CCCC1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330957495,MCULE-5597770726	252.783	KKAWQWBRGARGBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029076
CC(n1nc2CCC(C)c2c1CCl)C1(C)CC1	EMOLS-id_331009723,MCULE-3935513272	252.783	IXLFPYDFYIJFQI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029077
OCc1nn2c(c1Br)CC(C2)(F)F	SCHEMBL21315303,PC-id_139451459	253.044	SNDFQVHIGXKBPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029078
CCCCc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287220	253.36	BDQOGRZZCUYUES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029283
O=C1c2c(Cl)sc(c2C(=O)C1(O)O)Cl	PC-id_100995189	253.059	HLLUYFMPOALDDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029079
Ic1nnc2n1CCS2	SCHEMBL17011660,PC-id_118312004	253.064	KJOGUTPNIMYTHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029080
C1C(=C(c2cccn12)C(=O)O)C(=O)c1ccccc1	PC-id_164081518	253.074	WYBYIWXNVLCXSE-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-029081
C1C=CN2C1=CC=C2C(=O)C(=O)OC3=CC=CC=C3	PC-id_154219267	253.074	VDKZNACMFVKRBD-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-029082
CC(C)(C)OC(=O)NC1CC2=C(C1=O)SC=C2	PC-id_150604685,EMOLS-id_331322130	253.077	ISPUOBVJKDDWMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029083
CC(C(=O)OC)N1C(=O)C2=C(C1(C)C)SC=C2	PC-id_164810248	253.077	SBNCSPGMGTVHBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029084
C1C2=CN(N=C2CN1)SC3=CN(N=C3)CCF	PC-id_164872318	253.08	JEPLNFRVKPPJFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029085
CCOC(=O)N1CC2=C(ON=C2C1)N=C(C)OC	PC-id_154244707	253.106	URPZDXSDLLZUGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029086
CC1C(=CC2=C(C=CC(=C2)C)C)C(=O)C3=NC=NN13	EMOLS-id_257947180,MCULE-5354097567,PC-id_154766561	253.122	LRCOXLLUPGKVMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029087
C=C(c1nn(c2c1CC(=O)C2)Cc1ccccc1)N	PC-id_163728460	253.122	KXPJXDNZSOMUMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029088
CCCCCCCC1CN2C=C(N=C2O1)[N+](=O)[O-]	PC-id_155190248	253.143	BXUABMMGEOUNOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029089
c12CN(Cc1nn(CCF)c2O)CC(F)(F)F	MCULE-1563279666,EMOLS-id_324340072	253.197	HTBSOWSOVPEMKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029090
CCOC(=O)C1=C(C#N)c2n(C1)c(C#N)c(n2)C#N	SCHEMBL2273193,PC-id_23064011	253.216	MIZPCKFQHUARPJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029091
CCOC(=O)c1cn2c(c1C#N)N=C(C2C#N)C#N	PC-id_67343193,SCHEMBL2273197	253.216	XFOFDQKWZWFICN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029092
ON1Cc2c(C1)nc(n2C(F)F)S(=O)(=O)C	SCHEMBL17380116,PC-id_118613860	253.226	XDNUTZVZZLALOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029093
CC#CC(=O)NCC(F)(F)c1n[nH]c2c1CCC2	ZINC22_1875385368	253.248	RPWIKOLAUFUFIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029094
CC1Cc2c(O1)cc([nH]2)C(=O)OCCOC(=O)C	PC-id_91575071	253.251	WNVSJWJNFDLNTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029095
CC(C)(C)OC(=O)N1Cc2cc(oc2C1)C(=O)O	EMOLS-id_337738372,PC-id_82382161,MCULE-7117274218	253.251	PFHDVQZWTMHCFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029096
CC(C)(C)OC(=O)N1Cc2occ(C(=O)O)c2C1	PC-id_121229827,MCULE-5988363895,ZINC22_110915804,EMOLS-id_49433153	253.251	KOZVDZLFKDTGGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029097
O[C@@H]1CON(C[C@@H]1O)C(=O)c1occ2c1CCC2	EMOLS-id_319067657	253.251	UNXNMRFOYMFCLF-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029098
O=C(N1Cc2c(C1)coc2C(=O)O)OC(C)(C)C	PC-id_97755826	253.251	OEOZOPLCWHZOPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029099
OC(=O)C1c2n(CC1)cc(c2C(=O)O)CCOC	PC-id_12795085	253.251	BZTAFWZLRPLLLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029100
O=C(C1=Cc2n(C1=O)ccc2)OCc1ccccc1	PC-id_139385873,SCHEMBL21240914	253.253	DZFDPRJPRKKPCC-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-029101
CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)O)c2C1	SCHEMBL17222996,ZINC22_49587277,MCULE-5507051175,PC-id_45489922,EMOLS-id_49188845,EMOLS-id_32233828	253.254	SBFDXYJFMPRVOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029102
CC(C)(C)OC(=O)N1Cc2n[nH]cc2C1C(=O)O	MCULE-9125314568,EMOLS-id_259738660	253.254	YPHGGCCRLAMYIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029103
CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)O	ZINC22_685944194,MCULE-4243061543,EMOLS-id_323944452,PC-id_141411274	253.254	YPHGGCCRLAMYIS-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029104
CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)O	ZINC22_685944195,EMOLS-id_323948291,MCULE-2500765323,PC-id_141411236	253.254	YPHGGCCRLAMYIS-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029105
CC(C)(C)OC(=O)N1CCn2nc(cc12)C(=O)O	MCULE-7387365972,SCHEMBL170000,ZINC22_95803048,EMOLS-id_46303886,PC-id_58440994	253.254	XQYNMLQBVLRLNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029106
O=C(C1OCCCO1)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_2325797004	253.254	QDWQQFNUECWNOD-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029107
O=C(C1OCCCO1)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_2325797005	253.254	QDWQQFNUECWNOD-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-029108
c12CN(Cc1nn(C)c2C(=O)OCC)C(=O)OC	MCULE-7894833596,EMOLS-id_324342895	253.255	CVYDQTQWOOZXMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029109
c12CN(Cc1nn(C)c2C(=O)OC)C(=O)OCC	MCULE-5739628916,EMOLS-id_324341868	253.255	ROVXBQAGXJXKLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029110
CCCC(C(=O)O)NC(=O)c1cc2n(n1)CCO2	MCULE-5523763664,EMOLS-id_177346747	253.255	ULXSFDZRLYBOMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029111
CCC[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)O	ZINC22_585135016	253.255	ULXSFDZRLYBOMR-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029112
CCC[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)O	ZINC22_585135017	253.255	ULXSFDZRLYBOMR-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029113
CC(C)(C)OC(=O)N1CCn2ncc(C(=O)O)c12	ZINC22_685944187,EMOLS-id_259731783,MCULE-3779370889	253.255	XLIBKMQRIFTWKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029114
CC([C@@H](C(=O)O)NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_316597526	253.255	JSLBCHBAIBDRLB-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-029115
CCC(=O)C1CC(c2nc(nn12)C(=O)OCC)O	PC-id_137408309,SCHEMBL20641087	253.255	DINMOFIBQUKXRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029116
CN(C(=O)c1cc2n(n1)CCO2)CC(C(=O)O)C	EMOLS-id_278687582	253.255	GVQCHVNZEBQGKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029117
O=C(CC1OCCO1)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_1875313235	253.255	MOGIXJXAHUCYMP-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029118
O=C(CC1OCCO1)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_1875313236	253.255	MOGIXJXAHUCYMP-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-029119
N#Cc1ccc(cc1)NC(=O)c1noc2c1CCC2	ChEMBL-DNDi_CHEMBLC226-3255,PC-id_3353690	253.256	FISYMZBSXMGFFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029120
o1nc2CCCc2c1NC(=O)c1ccc(cc1)C#N	PC-id_16942293	253.256	GSGHDAFLJVLVDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029121
[O-][N+](=O)C1(CN2CCNCC2)Oc2n(C1)ccn2	PC-id_141088099	253.258	RBIKORNUYMDHCN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029122
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CN1CNCC1	PC-id_141088131	253.258	KVQBABUPUVHCBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029123
N#Cc1ccnc(C(=O)N=c2cc3n([nH]2)CCC3)c1	EMOLS-id_324075340,PC-id_146100559,MCULE-7885840047,ZINC22_1875302239	253.259	GNJRVEDMAJHWJV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029124
CC1CCCCN1C(=O)c1nn2CCOc2c1F	PC-id_91960093	253.273	IHQMBBDPTLKBJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029125
CC1CCCN(C1)C(=O)c1nn2CCOc2c1F	PC-id_91960108	253.273	XZFUOHBLBWEBQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029126
CC1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960109	253.273	VENCQPASEDODKL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029127
CCN(CC1CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960121	253.273	MWIZNXGNVOQYFP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029128
CCOC(=O)c1nn2C(CC(c2n1)F)CC1CC1	SCHEMBL20640664,PC-id_137408014	253.273	RRNWEPRDMVDXSV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029129
CCOC(=O)c1nn2[C@@H](C[C@@H](c2n1)F)CC1CC1	PC-id_137408016,SCHEMBL20640666	253.273	RRNWEPRDMVDXSV-BDAKNGLRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029130
CCOC(=O)c1nn2[C@@H](C[C@H](c2n1)F)CC1CC1	SCHEMBL20641161,PC-id_137408368	253.273	RRNWEPRDMVDXSV-RKDXNWHRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029131
F[C@@H]1CCCC[C@H]1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_101680277	253.273	JHMLPHUQWGODGA-RKDXNWHRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029132
CC(C)(C)OC(=O)N1C(=O)C(=O)c2sccc12	EMOLS-id_337713034,PC-id_139035991,MCULE-3091106715	253.274	OSLMRWQVNGEUQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029133
CCOC(=O)N1C(=O)c2c(C1=O)c(sc2C)C	PC-id_117787866,SCHEMBL16356254	253.274	GFEUZOUSLNLSQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029134
COC(=O)c1c2C=S=Cn2c(c1C(=O)OC)C	PC-id_102238489	253.274	FXWZLEBWXDERPT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029135
COC(=O)CCCN1C(=O)c2c(C1=O)csc2	PC-id_68468471,SCHEMBL2990451	253.274	AVSAMOZUSIIIBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029136
OC(=O)c1cc2CN(Cc2s1)C(=O)OCC=C	EMOLS-id_331261445	253.274	BSXALJQFTWJWCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029137
s1c2c(CCC2=O)c(c1NC(=O)C)C(=O)OC	PC-id_16639324	253.274	IPROVRRWYLRFEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029138
Cc1ccc(o1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316708851	253.278	VCWHPDALZVUMOU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-029139
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccoc1	EMOLS-id_316422685,MCULE-1936350206	253.278	WIDPQPJAAMMHQT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-029140
O=C(C1CC1[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_47213403,EMOLS-id_35711122,MCULE-7569201894	253.278	JTCYRMUNVAIOFA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029141
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@@H]1[N+](=O)[O-]	PC-id_94137874,ZINC22_47298425	253.278	JTCYRMUNVAIOFA-VDTYLAMSSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029142
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC22_47298426,PC-id_94137875	253.278	JTCYRMUNVAIOFA-FSPLSTOPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029143
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC22_47298427,PC-id_94137876	253.278	JTCYRMUNVAIOFA-IYSWYEEDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029144
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC22_47298428,PC-id_94137877	253.278	JTCYRMUNVAIOFA-CAHLUQPWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029145
S1Cc2c(onc2C1)NC(=O)C1NC(=O)CC1	PC-id_49720036	253.278	DSKXWSYSVKPSKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029146
Cc1[nH]cnc1S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318403938	253.281	VXDFISBESPNRTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029147
Cc1[nH]cnc1S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319467899	253.281	YTDZZLDZZWABPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029148
Cn1ccc(n1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-4550116380,EMOLS-id_316410125	253.281	CJLHWYKINONXEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029149
Cn1cnc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317957759	253.281	WIQTYNFFUNVJLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029150
O=S(=O)(c1cnc2n1CCC2)Nc1c[nH]nc1	EMOLS-id_100477509	253.281	RNDIULGOUJPWMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029151
C[C@H]1[C@H](C(c2c1c(nn2C(C)(C)C)C#N)(F)F)C	PC-id_134186356,SCHEMBL19788966	253.291	GUFGZZPEPWUWGT-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029152
CCOCCOCCn1cc2c(c1)OC(=CC)O2	PC-id_141071745	253.294	OPDIYZIMMQSTJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029153
C1(=O)C/C(=C(C)/c2ccc(cc2)OC)/n2c1ccc2	CHEMBL1086606,PC-id_45277753	253.296	DULSTONYIQAOFR-PTNGSMBKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029154
CC(=O)C1Cc2ccc(n2C1)C(=O)c1ccccc1	PC-id_90058896,SCHEMBL15592278	253.296	ISJPJRXKDXYHIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029155
CC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_58492939,SCHEMBL12286244	253.296	LDOOICBBIMMZJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029156
COC(=O)c1cc2c([nH]1)/C(=C/c1ccccc1)/CC2	SCHEMBL1005746	253.296	XSTOCCSNQAENEI-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029157
O=C1CC(=C(c2ccc(OC)cc2)C)n2c1ccc2	PC-id_75109246	253.296	DULSTONYIQAOFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029158
OC(=C)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL18133558,PC-id_76803133	253.296	UFUBPRXZYXAOQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029159
OC(=O)c1cc2c([nH]1)/C(=C/Cc1ccccc1)/CC2	SCHEMBL1005239	253.296	PGICYDUVDVMYTL-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029160
O(C(=O)c1[nH]c2c(CCC2=Cc2ccccc2)c1)C	PC-id_66874181	253.296	XSTOCCSNQAENEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029161
OC(=O)c1[nH]c2c(CCC2=CCc2ccccc2)c1	PC-id_66873969	253.296	PGICYDUVDVMYTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029162
c12CN(Cc1nn(C(C)(C)C)c2CO)C(=O)OC	MCULE-1890994805,EMOLS-id_324346219	253.298	LXDZETKZUIMFMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029163
c12CN(Cc1nn(CC(C)C)c2O)C(=O)OCC	MCULE-7613319222,EMOLS-id_324338793	253.298	GBCGWFGQIFEFEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029164
c12CN(Cc1oc(C(C)N)n2)C(=O)OC(C)(C)C	MCULE-5947646930,PC-id_83949364	253.298	QOXAVKVOUQRXAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029165
CC(C)(C)OC(=O)N1Cc2c(O)n[nH]c2C1(C)C	ZINC22_1775993744,EMOLS-id_316324786,MCULE-4869127172	253.298	JHLBCXAMQSJKBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029166
CCn1[nH]c2c(c1=O)CN(C2)C(=O)OC(C)(C)C	PC-id_105509987	253.298	XCDBRVHDRBMBND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029167
CCn1[nH]c(=O)c2c1CN(C2)C(=O)OC(C)(C)C	PC-id_105509986	253.298	GNUJJQFLOHJOLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029168
CCOc1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380690,PC-id_118614418	253.298	STIJBYFGCFIBIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029169
COC[C@H]1N(Cc2c1cn[nH]2)C(=O)OC(C)(C)C	PC-id_141411261	253.298	QDFIWAQWQALNPN-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029170
COC[C@@H]1N(Cc2c1cn[nH]2)C(=O)OC(C)(C)C	PC-id_141411267	253.298	QDFIWAQWQALNPN-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-029171
o1c2CN(Cc2nc1CCN)C(=O)OC(C)(C)C	PC-id_83949368	253.298	OLTQAIDBNGLJSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029172
o1c2CN(Cc2nc1CNC)C(=O)OC(C)(C)C	PC-id_83949378	253.298	ARFVKOFAPHTOEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029173
o1nc(c2CN(Cc12)C(=O)OC(C)(C)C)CCN	PC-id_83866722	253.298	ICVJCDWNMBBTCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029174
o1nc(c2CN(Cc12)C(=O)OC(C)(C)C)CNC	PC-id_83866724	253.298	XFYTZMNAHKOXHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029175
o1nc(N)c2CN(C(c12)CC)C(=O)OC(C)(C)C	PC-id_83851298	253.298	XQOOGOGQMRREPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029176
O(C(C)(C)C)C(=O)N1Cc2c(noc2CCN)C1	PC-id_83866753	253.298	KLFIRKNNXWULMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029177
O(C(C)(C)C)C(=O)N1Cc2c(noc2CNC)C1	PC-id_83866755	253.298	LQCNBBRMKUZTOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029178
OCCOCCCNC(=O)c1n[nH]c2c1CCC2	PC-id_110022332	253.298	LTZBFJXXPCBPGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029179
O=C(OC(C)(C)C)NCc1nc2c([nH]1)COC2C	PC-id_102970377	253.298	ROICQPATTPHFIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029180
O(C(=O)N1C(c2[nH][nH]c(=O)c2C1)CC)C(C)(C)C	PC-id_83851302	253.298	GYHVJSYOZOMHML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029181
O(C(=O)N1C(c2noc(N)c2C1)CC)C(C)(C)C	PC-id_83851300	253.298	DZRJPKIWYVHZKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029182
c1(COc2ccccc2C#N)c2CCCc2nn1C	MCULE-4233470990,EMOLS-id_330481755,ZINC22_1849855031	253.299	IXJWXCFFLZUIFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029183
Cc1ccc(c(c1)C)C=C1C(C)n2c(C1=O)ncn2	EMOLS-id_257947177,MCULE-9497974039	253.299	KFJVAFPAEMEEEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029184
COc1ccc(cc1)Cn1nc(c2c1CCC2)C#N	SCHEMBL16731504,PC-id_118087945	253.299	GDORMNRVFVMIIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029185
COCC(C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_81089121,EMOLS-id_315570511	253.301	XSEQCQNKCIODDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029186
COC(C(=O)N(Cc1nnc2n1CCC2)C)CN	PC-id_106112134	253.301	ZAGMXSGUCLVXIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029187
COC(C(=O)NC(c1nnc2n1CCC2)C)CN	PC-id_114144900	253.301	HKEIXTRDJHCKMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029188
NCCOCC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_315385458,PC-id_79473082	253.301	YFXZRWVIFIQZNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029189
NCCOCC(=O)NC(c1nnc2n1CCC2)C	PC-id_79473718,EMOLS-id_314649877	253.301	IJEYKTAMSRXKKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029190
OCCNC(=O)N1Cc2c(C1(C)C)[nH]nc2NC	SCHEMBL19312125	253.301	DBBSASATESRVCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029191
O=C(NC(c1n2CCCc2nn1)C)C(N)COC	PC-id_81083213	253.301	UGQWBFNRQQZNEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029192
N#Cc1nccc(c1)CNC1CC(n2c1ncc2)C	EMOLS-id_320084709,MCULE-6377835345	253.302	IUSSXONATPQVSV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029193
CN(/N=C(/c1nc2c(n1C(C)C)CN(C2)O)N)N	PC-id_144979243	253.304	PZMIUSPPYGWZBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029194
c12CN(Cc1scc2C=O)C(=O)OC(C)(C)C	EMOLS-id_331063330,MCULE-7871485729	253.317	QPMKTHDJBFPOFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029195
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)OC	ZINC22_4158967,PC-id_3129646,SCHEMBL14542539,CoCoCo_187548,MCULE-2224149987,EMOLS-id_1327870	253.317	ICEZGDUPTVGKJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029196
c1(NC(=O)C)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AG-205/06937063,ChEMBL-DNDi_CHEMBL5363618,TIMTEC438976,STOCK1S-34170,BAS-08812390,EMOLS-id_1084675,MCULE-1693401867,ZINC22_3682093,CoCoCo_377486,SCHEMBL13779376,PC-id_2787598	253.317	RXOGSWSWWJSKGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029197
CCC1Cc2c(C1)cc(s2)CC(=NO)C(=O)O	SCHEMBL11531137,PC-id_88794296	253.317	DQZLMDQWINUAIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029198
CCCC(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_28860191,EMOLS-id_37532207	253.317	LZUZGHOPMGCVSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029199
CC(C)C(=O)Nc1sc2c(c1C(=O)O)CCC2	ZINC22_3887628,PC-id_3599414,EMOLS-id_2861144,CoCoCo_3691107,MCULE-8377986053	253.317	IKUUVQWUDCWTPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029200
CCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_37237067,MCULE-8377980226,PC-id_43387303	253.317	MVBJSGNNCGTHHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029201
CC[C@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_65810217,EMOLS-id_41487753	253.317	MVBJSGNNCGTHHO-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029202
CC[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_81658887,EMOLS-id_314514183	253.317	MVBJSGNNCGTHHO-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029203
CC(C(=O)NCc1sc2c(c1)CCC2)C(=O)O	PC-id_114898172	253.317	GIAVEOJBXFROEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029204
CC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_62675829,EMOLS-id_39268728,MCULE-6642561037	253.317	YKZPODYBAMMESK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029205
C[C@@H](CC(=O)O)NC(=O)c1cc2c(s1)CCC2	ZINC22_36966893,PC-id_93262790	253.317	PVAHTDBEGQYGRF-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029206
C[C@H](CC(=O)O)NC(=O)c1cc2c(s1)CCC2	ZINC22_36966894,PC-id_93262791	253.317	PVAHTDBEGQYGRF-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029207
CCN(C(=O)c1sc2c(c1)CCC2)CC(=O)O	EMOLS-id_38013573,PC-id_54901399	253.317	UXWITEDUWUCXJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029208
CC(N(C(=O)c1sc2c(c1)CCC2)C)C(=O)O	MCULE-9752161112,PC-id_62626882,EMOLS-id_39233293	253.317	AXSCKLTZDXMOKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029209
CCOC(=O)c1c(sc2c1C(CC2)C(=O)C)N	PC-id_89788558	253.317	GGCJPXAAYNVXRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029210
CCOC(=O)CC1CCc2c1c(C=O)c(s2)N	PC-id_144752370	253.317	NSLISJIEKWRKCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029211
CCOC(=O)CNC(=O)c1sc2c(c1)CCC2	PC-id_60811772,EMOLS-id_314103654	253.317	RRAMDBBZLRGXTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029212
COC(c1nc2c(s1)CCC2C(=O)O)C1CC1	PC-id_116705345	253.317	YJXGXGGWFXBICW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029213
COC(=O)CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_314105268,PC-id_40211568	253.317	OODFERXYPUIDQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029214
COC(=O)[C@@H](NC(=O)c1sc2c(c1)CCC2)C	PC-id_87040144	253.317	DAAPBBFDARYRAL-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029215
COC(=O)C(NC(=O)c1sc2c(c1)CCC2)C	PC-id_60654335,EMOLS-id_314103275	253.317	DAAPBBFDARYRAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029216
OC1CN(CC1O)C(=O)c1sc2c(c1)CCC2	PC-id_106671171	253.317	APXJBHFOQJBBHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029217
O=C(c1sc2c(c1)CCC2)NC(C(=O)O)(C)C	PC-id_61263728,MCULE-1092543758,EMOLS-id_38175675	253.317	RKGXJTHFSIERJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029218
O=Cc1scc2c1CCN2C(=O)OC(C)(C)C	PC-id_97755746	253.317	PPUYIOLGLLOJQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029219
O=Cc1scc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_97755747	253.317	XFJYOOUZUZSIHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029220
O=Cc1scc2c1N(CC2)C(=O)OC(C)(C)C	PC-id_97755745	253.317	DMVBJUZCXRDTAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029221
O=C(NCc1sc2c(c1)CCC2)CCC(=O)O	PC-id_61207224,EMOLS-id_38138601	253.317	FGJWEDBNQHIQQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029222
OC(=O)C1CCc2c1nc(s2)CC1CCCO1	PC-id_104287314	253.317	CJPOFVSJFGGQRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029223
OC(=O)C1CCc2c1nc(s2)CC1COCC1	PC-id_104287390	253.317	KHWPBZCNUPOLPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029224
OC(=O)CCCNC(=O)c1sc2c(c1)CCC2	PC-id_20116744,MCULE-9969299922,EMOLS-id_37236115	253.317	HLKZRRIVDOZURX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029225
OC(=O)CC(NC(=O)c1sc2c(c1)CCC2)C	MCULE-8172109487,PC-id_43092474,EMOLS-id_37237779	253.317	PVAHTDBEGQYGRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029226
OC(=O)CCN(C(=O)c1sc2c(c1)CCC2)C	MCULE-9292282631,EMOLS-id_37996006,PC-id_60988395	253.317	SBYJSNBHPFUVNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029227
s1c2c(CCC2)cc1C(=O)N1C[C@H](O)[C@H](O)C1	PC-id_79411102	253.317	APXJBHFOQJBBHY-DTORHVGOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029228
s1c2CCCc2cc1C(=O)N(CC(=O)OC)C	PC-id_43407526	253.317	RMLQRIMZOICFAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029229
s1c2CCCc2cc1C(=O)OCC(=O)NCC	PC-id_5169603	253.317	NWJJKAUMWHFBQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029230
s1c2c(CCC2)cc1N(CCCC(=O)O)C=O	PC-id_20848273	253.317	XBCDYWVOTRPHDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029231
s1c2c(CCC2)c(NC(=O)C)c1C(=O)OCC	PC-id_56697759	253.317	BTDJIUWLDCWMQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029232
s1c2C(CC(NC(=O)C)c2cc1)COC(=O)C	PC-id_72993528	253.317	SHBKVVPPGLVLIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029233
s1c2[C@@H](C[C@@H](NC(=O)C)c2cc1)COC(=O)C	PC-id_11521675	253.317	SHBKVVPPGLVLIU-GXSJLCMTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029234
s1c2[C@H](C[C@@H](NC(=O)C)c2cc1)COC(=O)C	PC-id_11622973	253.317	SHBKVVPPGLVLIU-MWLCHTKSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029235
c1(NC(=O)C2CCCO2)n(C)nc2CSCc12	EMOLS-id_188945391,MCULE-9277166022,STOCK7S-67795	253.321	DRAAGKHGINLUFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029236
CC1CSCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_102573190,MCULE-9557757883	253.321	FVOGGLGLUAFMFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029237
C=CCC1(CC1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318803936	253.321	PDTBMWGUNYKNKE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029238
CCC(=O)NCC(=O)Nc1nc2c(s1)CCC2	ZINC22_52161172,PC-id_47280689,EMOLS-id_36640642,MCULE-9509416083	253.321	HRMZHTYNBBWJOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029239
CCNC(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-6201357311,EMOLS-id_48767570,PC-id_47103147	253.321	QLJVVIWNZUKBOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029240
CCOC(=O)c1c(NC(=N)N)sc2c1CCC2	PC-id_145947845,CHEMBL4302642	253.321	LHMSSOXIEUJHJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029241
CC(=O)NCCSC(=O)c1cc2c([nH]1)NCC2	PC-id_139034757	253.321	RPBXIXDHPOFIOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029242
Cn1nc2c(c1NC(=O)[C@H]1CCCO1)CSC2	ZINC22_604419484	253.321	DRAAGKHGINLUFD-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029243
Cn1nc2c(c1NC(=O)[C@@H]1CCCO1)CSC2	ZINC22_604419485	253.321	DRAAGKHGINLUFD-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-029244
NC(=O)NC(=O)CNCc1sc2c(c1)CCC2	PC-id_61207247,EMOLS-id_38138723	253.321	JZIRXADBXWSNGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029245
O=C(c1cc2n(n1)CCO2)N1CCSCCC1	EMOLS-id_102667961	253.321	NUBXNZGHQJWRHA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-029246
O=C(CSC1CC1)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_2325796917	253.321	AHYIOSPYVLRMME-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-029247
O=C(CSC1CC1)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_2325796918	253.321	AHYIOSPYVLRMME-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029248
O=C(N1CCOCC1)Nc1sc2c(n1)CCC2	PC-id_115581864	253.321	IYKBCUGFLVGXMD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029249
O=C(Nc1sc2c(n1)CCC2)NC1CCOC1	PC-id_113321957	253.321	NONSZTVOPDZGSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029250
ON=C(CCNC(=O)c1sc2c(c1)CCC2)N	PC-id_55102673,EMOLS-id_39248882	253.321	KAEZGMVEALAJHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029251
ON=C(C(NC(=O)c1sc2c(c1)CCC2)C)N	EMOLS-id_300562778,PC-id_61134473	253.321	KYZVZXHKUQCLRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029252
O=S1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110763310	253.321	YFXRSKKSICPODP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029253
s1c2CCCc2cc1C(=O)N(C/C(=N/O)/N)C	PC-id_61900388	253.321	VFXWBJLJMOEYCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029254
s1c2CCCc2nc1NC(=O)C1C(N)COC1	PC-id_66235665	253.321	IUYWDMHULMAYMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029255
s1c2CCCc2nc1NC(=O)C1NCC(O)C1	PC-id_54963399	253.321	MXDCTRKPZPZSRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029256
s1c2CCCc2nc1NC(=O)C1(N)CCOC1	PC-id_64893407	253.321	WNZRCQVEWMDMFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029257
s1c2CCCc2nc1NC(=O)C1NCCOC1	PC-id_65519072	253.321	OUZQGDXQCSGGBP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029258
s1c2CCCc2nc1NC(=O)C1OCCNC1	PC-id_61741066	253.321	OFMUETHZBQNFIG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029259
c1(C#N)c2CCCc2sc1N=Cc1cccnc1	MCULE-2679986715,PC-id_777249	253.322	DSSCHOVIVSIBFK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029260
c1(C#N)c2CCCc2sc1/N=C/c1cccnc1	STOCK1S-69375,SPECS-id_AT-084/J158713,SPECS-id_AG-205/37007226,PC-id_9593297,ZINC22_267688,TIMTEC131812,MCULE-6628772551,EMOLS-id_1260420,SPECS-id_AN-153/I120893,CoCoCo_116387,BAS-00675182	253.322	DSSCHOVIVSIBFK-RQZCQDPDSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029261
N#Cc1cc(n2c1CSC2)/C=C/c1cccnc1	SCHEMBL10858269,PC-id_23324686	253.322	JHUNBYHFPYYCOF-ONEGZZNKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029262
N#Cc1c(/N=Cc2cccnc2)sc2c1CCC2	CoCoCo_116388	253.322	DSSCHOVIVSIBFK-MFOYZWKCSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029263
S1Cn2c(C1)c(cc2C=Cc1cccnc1)C#N	PC-id_53956165	253.322	JHUNBYHFPYYCOF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029264
S1Cn2c(C1)cc(c2C=Cc1cccnc1)C#N	PC-id_86109849	253.322	AHDPJXKQRPOXHQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029265
O=C(N1CCC(C1)(C)F)c1sc2c(c1)CCC2	EMOLS-id_102567128	253.336	WEGFQPJNGZGGNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029266
CCCCCCCCn1c(c2COCc2c1O)O	PC-id_91160144	253.337	VVQRXOANXMNATE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029267
Cc1cn(c2c1CCC2)C(=O)CCc1ccccc1	PC-id_143156441	253.339	BGJOOEBAQHGDEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029268
CC(C1CCn2c1ccc2C(=O)c1ccccc1)C	SCHEMBL2739340,PC-id_22898705	253.339	MTLHTDSRKDRXLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029269
CCCC1CCn2c1ccc2C(=O)c1ccccc1	PC-id_142867368	253.339	HVYJQTKGCJMYSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029270
CC(=C)C1Cn2c(C1)ccc2C(=O)C1=CCCC=C1	PC-id_144587749	253.339	SETPTRHVTFBHPQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-029271
O=C1CC(c2c1n(cc2)Cc1ccccc1)C(C)C	PC-id_49840268	253.339	BAGWMQHXEJFHTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029272
O=C1C[C@@H](c2c1n(cc2)Cc1ccccc1)C(C)C	PC-id_49840341	253.339	BAGWMQHXEJFHTQ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029273
O=C(c1n2c(C(CC2)C)cc1C)c1ccc(cc1)C	PC-id_59400379	253.339	SASLZYUSHNAFHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029274
COCCNCc1nc2c([nH]1)C(OC2(C)C)(C)C	EMOLS-id_315474983,PC-id_79927604	253.341	FNPAOFAMKUFCII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029275
s1c2c(CCC2)c(c1N=CC=S)C(=O)OC	SCHEMBL13118469,PC-id_57825293	253.341	VIUQWNRMRQXXLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029276
s1c2c(CCC2)c(c1N=C=S)C(=O)OCC	PC-id_10491107	253.341	CCKDXTHWGJHOFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029277
c1ccc(cc1)C1(CCC1)NC1CCn2c1ncc2	EMOLS-id_318103189	253.342	ROWGPDOTCBNJHF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-029278
Cc1nc(=NCc2cn3c(n2)SCC3)s[nH]1	PC-id_121554063,EMOLS-id_75987239,ZINC22_328589131,MCULE-1788890130	253.347	UVWUZEVPXZVLEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029279
c1(C(=O)CCCOCC)c2CCCc2sc1N	EMOLS-id_50027236,PC-id_4737023,MCULE-5604705904	253.36	RTONFFSMKLFVMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029280
CC(c1cc2c(s1)CN(C2)C(=O)C(C)(C)C)O	PC-id_90723452	253.36	XSOGVGKJVOBPKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029281
CCC1CCc2c1c(C(=O)OC(C)C)c(s2)N	PC-id_116176048	253.36	LFGGCLPCZONSFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029282
CCCC(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_112294490,EMOLS-id_315904649	253.36	QWQOPNXWTQYLPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029284
CCC(CCNC(=O)c1sc2c(c1)CCC2)O	PC-id_112309813	253.36	CTRFAOGHWNEIPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029285
CC(CCCNC(=O)c1sc2c(c1)CCC2)O	PC-id_113943151	253.36	TVEGCOREIBUZKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029286
CCCC(C(=O)O)NCc1sc2c(c1)CCC2	EMOLS-id_259904776,PC-id_83040996	253.36	OIGXHMCGHJYTLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029287
CC(C)CNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956567	253.36	KQYLYMLVAKAVSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029288
CCC(C)NC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956568	253.36	ICMOYTIZYKBXFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029289
CC(CC(NC(=O)c1sc2c(c1)CCC2)C)O	PC-id_104109208	253.36	AKRGDSZSHIISBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029290
CC(CCN(C(=O)c1sc2c(c1)CCC2)C)O	PC-id_115691658	253.36	ORWSNGGJNNQPQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029291
CCC(CNC(=O)c1sc2c(c1)CCC2)(O)C	EMOLS-id_41008172,PC-id_65114445	253.36	XZKWGWCJROZNRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029292
CC(C)(C)OC(=O)NCC1CCc2c1ccs2	PC-id_89535195,SCHEMBL14906835	253.36	OBTGMJSLRJFMHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029293
CC(C(C(=O)O)NCc1sc2c(c1)CCC2)C	PC-id_103242958	253.36	FKPQQXQEGKSXCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029294
CCCN(C(=O)c1sc2c(c1)CCC2)CCO	EMOLS-id_37232842,PC-id_60655857	253.36	AWTZUIIIZVUBFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029295
CCC(NC(=O)c1sc2c(c1)CCC2)(CO)C	PC-id_64556404,EMOLS-id_40606646	253.36	CHHQPFPKLOYZMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029296
CC(NCc1sc2c(c1)CCC2)CCC(=O)O	PC-id_64495250,EMOLS-id_40536620	253.36	OTNKOSGUUJWVTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029297
CCN(CC)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956534	253.36	YMOGNPAKXNLHPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029298
CC(OCC(=O)NCc1sc2c(c1)CCC2)C	PC-id_112687427	253.36	QSXYITPWGXURRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029299
CCOC(=O)C1CCc2c1nc(s2)C(CC)C	PC-id_104286838	253.36	AAAVXBAREDRZPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029300
CCOC(=O)C1CCc2c1nc(s2)C(C)(C)C	PC-id_104287171	253.36	AOVZTHLSZLJXAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029301
CCOC(=O)C1CCc2c1nc(s2)CC(C)C	PC-id_104287185	253.36	LTHNGJIWEPMLSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029302
CCOC(=O)c1c(NC)sc2c1C(C)(C)CC2	SCHEMBL21261119,PC-id_139404246	253.36	GTHXFOIBQOGNIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029303
CCOC(=O)c1c(N)sc2c1C(C)CC2(C)C	SCHEMBL21247304,PC-id_106662922	253.36	MELNBPVZTLHBNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029304
CC(OC(=O)c1c(N)sc2c1C(C)(C)CC2)C	EMOLS-id_42566899,PC-id_79864747	253.36	LFUPVRDFDNJOMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029305
CCOC(=O)CCNCc1sc2c(c1)CCC2	EMOLS-id_38138705,PC-id_61208754	253.36	JUYJECPQOIDKID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029306
CC(OC(=O)CNCc1sc2c(c1)CCC2)C	EMOLS-id_38487084,PC-id_61670220	253.36	GWTJOBVHCZVIIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029307
CCOC(=O)C(NCc1sc2c(c1)CCC2)C	PC-id_61724354,EMOLS-id_38536822	253.36	DVZMHGCZXBXOPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029308
COC(C(=O)NCc1sc2c(c1)CCC2)(C)C	PC-id_113233336	253.36	IFYJQVCTPIUZIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029309
COC(=O)CCCNCc1sc2c(c1)CCC2	EMOLS-id_38138647,PC-id_61208168	253.36	YVCWTHSASPAELD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029310
COC(=O)CC(NCc1sc2c(c1)CCC2)C	EMOLS-id_38138651,PC-id_61206869	253.36	CBNVMUQKBKXTKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029311
COC(=O)C(CNCc1sc2c(c1)CCC2)C	PC-id_61207051,EMOLS-id_38138655	253.36	KROBYIAXDJHGKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029312
COC(=O)C(NCc1sc2c(c1)CCC2)CC	PC-id_113292591,EMOLS-id_315646929	253.36	PUXLNJUNCQZTRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029313
O=C(c1c(N)sc2c1C(C)CC2)OC(C)(C)C	EMOLS-id_315039307,PC-id_81824711	253.36	ZTWRRTHYZYQMNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029314
O=C(c1sc2c(c1)CCC2)NC(C(O)C)(C)C	PC-id_113346999,EMOLS-id_315903644	253.36	XUVQRTJUEAOONT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029315
OCCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_107319126	253.36	NEWDRYFPJSTQGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029316
OC(C(C)C)CNC(=O)c1sc2c(c1)CCC2	PC-id_112303930	253.36	LEFZUJPHZWSUDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029317
OCC(C(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_79253192,EMOLS-id_42131882	253.36	XNUSGXMTIXRLJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029318
OCCCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314895470,PC-id_79209147	253.36	UAWRUVWBIZKCPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029319
OCCC(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_66108146,EMOLS-id_41698687	253.36	HHBBMEOKCWFSHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029320
OCCCC(NC(=O)c1sc2c(c1)CCC2)C	PC-id_80294556,EMOLS-id_315092516	253.36	FVSWQYNSTYWRIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029321
OCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_314489933,PC-id_81646380	253.36	FHRILNWEMOCIFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029322
OCCCN(C(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_315886993,PC-id_115771428	253.36	SXUPOBLODXRUEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029323
OCC(C(NC(=O)c1sc2c(c1)CCC2)C)C	PC-id_112341362	253.36	FPOXLBWYHRBGOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029324
OCCC(NC(=O)c1sc2c(c1)CCC2)CC	PC-id_112342239,EMOLS-id_314528280	253.36	RFBQUYQRGVLTQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029325
OCCC(NC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_115869877	253.36	CTZYDONRKVBYTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029326
OC[C@H](C(C)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_42131284,PC-id_79246335	253.36	XNUSGXMTIXRLJX-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029327
OCCN(C(=O)c1sc2c(c1)CCC2)C(C)C	EMOLS-id_37728535,PC-id_43573160	253.36	LZXKAKVKJFKKCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029328
OCC(N(C(=O)c1sc2c(c1)CCC2)C)(C)C	PC-id_116117610,EMOLS-id_314545443	253.36	QOOHXJHSGJNZCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029329
O=C(N(CC(O)(C)C)C)c1sc2c(c1)CCC2	EMOLS-id_42229505,PC-id_79382175	253.36	HTLPQYIJFWSKHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029330
O=C(OC(C)(C)C)Nc1csc2c1C(C)CC2	PC-id_114749431	253.36	KNMXOQRBPVLIOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029331
OC(=O)CCCCNCc1sc2c(c1)CCC2	PC-id_103242928	253.36	KLMKQWHBXMXTON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029332
OC(=O)C(CNCc1sc2c(c1)CCC2)(C)C	EMOLS-id_42404669,PC-id_79624150	253.36	VMUWVHVJPHCHGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029333
s1c2c(CCC2)cc1CNCC1OCOCC1	PC-id_81101317	253.36	IYJWENGQBPTWPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029334
s1c2c(CCC2)cc1CNC(C(C)C(=O)O)C	PC-id_79391748	253.36	HSJCCJQHMRONQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029335
s1c2CCCc2cc1CNC(=O)CCC(O)C	PC-id_79191582	253.36	XFOXNKQZTHURLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029336
s1c2CCCc2cc1CNC(=O)OC(C)(C)C	PC-id_63789408	253.36	UCWFUQFBRAJKIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029337
s1c2c(CCC2)c(c1NCCC)C(=O)OCC	PC-id_63531178	253.36	YPAHTXVNEVXFEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029338
s1c2c(CCC2)c(c1NC(C)C)C(=O)OCC	PC-id_83380773	253.36	BXBYMXPTPJLKBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029339
s1c2C(CN(c2cc1)C(=O)OC(C)(C)C)(C)C	PC-id_10706060	253.36	UHIROABDIWKFGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029340
s1c2C(CN(c2cc1)C(=O)OC(C)(C)C)CC	PC-id_10777279	253.36	JXRHMLLNVLDHPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029341
c1(C(=O)NCC)c2CSCc2nn1CC(C)C	MCULE-1029633011,EMOLS-id_324398431	253.364	UFUVYLXYNRFKAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029342
c1(NC(=O)CC)c2CSCc2nn1C(C)(C)C	CoCoCo_4972547,EMOLS-id_5426019,ZINC22_189386,ChEMBL-DNDi_CHEMBLF0396-0004,PC-id_3565915,SCHEMBL4882007,MCULE-6658542493	253.364	QCMRFEFXUMMEBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029343
Cc1nc2c(s1)CN(C(=O)N(C)CC(C)C)C2	MCULE-6375197791,ZINC22_867602274,EMOLS-id_313166153	253.364	MSCODBYIJOEHLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029344
CC1=Nc2n(S1C(C1(C)CCCC1)O)cnc2	SCHEMBL20744452	253.364	NHARHOQVWXACSB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029345
CC1=Nc2n(S1[C@@H](C1(C)CCCC1)O)cnc2	SCHEMBL20743760	253.364	NHARHOQVWXACSB-NSHDSACASA-N	00000011100000000001000010000000000000000000000000000000	25-01-029346
CCCCCC1Cc2c(C)nn(C(=S)N)c2O1	MCULE-8743936318,TIMTEC210386,STOCK3S-21517,PC-id_3699595,EMOLS-id_4353767	253.364	ICRQITXRBYBVBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029347
CCCCC[C@@H]1Cc2c(C)nn(C(=S)N)c2O1	CoCoCo_5812614,PC-id_1624442,ZINC22_1875801	253.364	ICRQITXRBYBVBH-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029348
CCCCC[C@H]1Cc2c(C)nn(C(=S)N)c2O1	PC-id_1624441,ZINC22_1875800,CoCoCo_5812613	253.364	ICRQITXRBYBVBH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-029349
CC(CCCC(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_260434458,PC-id_82851843	253.364	MMQOZPUJDANXAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029350
CCCC(CC(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_260829985,PC-id_81974909	253.364	KYMBXHQJKNRWLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029351
CCCCC(C(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_38357831,PC-id_54963500	253.364	GUFWIBIZUDLOTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029352
CCCC[C@@H](C(=O)Nc1sc2c(n1)CCC2)N	PC-id_94225182	253.364	GUFWIBIZUDLOTC-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029353
CCC(CC(=O)Nc1sc2c(n1)CCC2)CN	EMOLS-id_315558222,PC-id_81087057	253.364	MIGCHDLUZQFYNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029354
CCCC(C(=O)Nc1sc2c(n1)CCC2)CN	EMOLS-id_41104549,PC-id_65229398	253.364	QWPBHDXCIJXQNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029355
CCCC(C(=O)Nc1sc2c(n1)CCC2)(N)C	EMOLS-id_38357769,PC-id_54963900	253.364	YFGANJQWEVBDQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029356
CC(CC(C(=O)Nc1sc2c(n1)CCC2)N)C	EMOLS-id_38357789,PC-id_54963198	253.364	YIWVNNQEHYJDOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029357
CC(C[C@H](C(=O)Nc1sc2c(n1)CCC2)N)C	EMOLS-id_315032392,PC-id_94225167	253.364	YIWVNNQEHYJDOF-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029358
CC(C[C@@H](C(=O)Nc1sc2c(n1)CCC2)N)C	EMOLS-id_38357803,PC-id_54963351	253.364	YIWVNNQEHYJDOF-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029359
CCC(C(=O)Nc1sc2c(n1)CCC2)(CC)N	EMOLS-id_42534473,PC-id_79813630	253.364	BVOGMMVMVLENKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029360
CCC(C(=O)Nc1sc2c(n1)CCC2)(CN)C	PC-id_81945526,EMOLS-id_315703679	253.364	JKIUSFXWKSNXLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029361
CCC(NCC(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_38357827,PC-id_54963498	253.364	OUXRPMCWCNTUSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029362
CC(C)(N)C(=O)NCCc1nc2CCCc2s1	PC-id_110460909,MCULE-1135898260,EMOLS-id_181139220	253.364	DDXCZKLRWULDJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029363
CCNCC(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_39405779,PC-id_55122938	253.364	XMGUJTATAQZUON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029364
CCNC(CC(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_39407387,PC-id_55121502	253.364	RAOLGHMOANBHOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029365
CC(NCCC(=O)Nc1sc2c(n1)CCC2)C	PC-id_54963499,EMOLS-id_38357829	253.364	MVWKOOUNFOICKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029366
CCNC(C(=O)Nc1sc2c(n1)CCC2)(C)C	PC-id_62835189,EMOLS-id_39411345	253.364	LOPUWUPMMOPQIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029367
n1c2CCCc2sc1CCNC(=O)CCCN	MCULE-8727397253,PC-id_110460796,EMOLS-id_324827487	253.364	HHWGWQKLLPFNIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029368
NCCCCCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357787,PC-id_54963197	253.364	UKWZTVBSQRZYTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029369
NCCCC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_104684886,EMOLS-id_314551398	253.364	GXMDIJRMIPXMKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029370
NCC(CCC(=O)Nc1sc2c(n1)CCC2)C	PC-id_82012280,EMOLS-id_260588017	253.364	DKFFOWHFSLNYJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029371
NCCC(C(=O)Nc1sc2c(n1)CCC2)(C)C	PC-id_114285611	253.364	WNNNENXALMZIGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029372
NCC(C(=O)Nc1sc2c(n1)CCC2)C(C)C	EMOLS-id_41104547,PC-id_65229397	253.364	YLGYZHHZKPTIBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029373
O=C(C(C(C)(C)C)N)Nc1sc2c(n1)CCC2	EMOLS-id_300560742,PC-id_76230060	253.364	PDTUPOCVRBYAKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029374
O=C(CC(C(C)C)N)Nc1sc2c(n1)CCC2	EMOLS-id_315717533,PC-id_81990477	253.364	YIESRBYOHGYSBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029375
O=CC(CCn1nc2c(c1N(C)C)CSC2)C	SCHEMBL19659097	253.364	PSQIGIKRMYNSRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029376
O=C([C@@H](C(C)(C)C)N)Nc1sc2c(n1)CCC2	EMOLS-id_315775185,PC-id_113353433	253.364	PDTUPOCVRBYAKX-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-029377
O=C([C@H](C(C)(C)C)N)Nc1sc2c(n1)CCC2	PC-id_54963846,EMOLS-id_38357759	253.364	PDTUPOCVRBYAKX-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029378
O=C(Nc1sc2c(n1)CCC2)CCC(N)(C)C	PC-id_64008729,EMOLS-id_40178853	253.364	AWNWNVRQGIUJMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029379
O=C(Nc1sc2c(n1)CCC2)CNC(C)(C)C	PC-id_78987055,EMOLS-id_38874480	253.364	CLJBLIVJNQRFMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029380
OC(S1C(=Nc2n1cnc2)C)C1CC(C1)(C)C	SCHEMBL20743781	253.364	YWVBYPKAUCJOTJ-UHFFFAOYSA-N	00001011100000000001000010000000000000000000000000000000	25-01-029381
OC(S1C(=Nc2n1cnc2)C)CC1CCCC1	SCHEMBL20744387	253.364	KFEMLUBCRYAPCU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029382
s1c2c(CCC2)cc1CNCC(C)/C(=N/O)/N	PC-id_64335742	253.364	RTOGAKGTGAHBIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029383
s1c2c(CCC2)cc1CNC(CC)/C(=N/O)/N	PC-id_64336357	253.364	OTISUPFFBCFYQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029384
s1c2c(CCC2)cc1CNCCCC(=NO)N	PC-id_64336359	253.364	LSHRSZJCRBBTPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029385
s1c2c(CCC2)cc1CNC(C/C(=N/O)/N)C	PC-id_64335743	253.364	BSNBBBUZZPXTAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029386
s1c2CCCc2nc1NC(=O)[C@@H](N)C(CC)C	PC-id_54963847	253.364	UKCAAHMRRMPQJW-MHPPCMCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029387
s1c2CCCc2nc1NC(=O)[C@@H](N)[C@H](CC)C	PC-id_54963799	253.364	UKCAAHMRRMPQJW-XVKPBYJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029388
s1c2CCCc2nc1NC(=O)C(N)C(CC)C	PC-id_54963199	253.364	UKCAAHMRRMPQJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029389
S=C=NC(=C)S1(C=O)C=Cc2c1scc2	PC-id_141512911	253.364	QPLOFPLRZHWMNJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-029390
CCCN=C(NCCc1cn2c(n1)SCC2)N	PC-id_121829402	253.367	NWRXPNIRWPTHBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029391
CC(NC(=NCCc1cn2c(n1)SCC2)N)C	PC-id_120363274	253.367	ROYBJARBCCLXIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029392
CC(C)C(=O)Nc1[n+](c2c(s1)CCC2)C(C)C	SCHEMBL14803472,PC-id_89458285	253.384	UMRPDVCINZLCMV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-029393
C[NH+](CCO/N=C/1CC(c2c1scc2)(C)C)C	GLL_PC-id_44210920	253.384	SJPUDLQGCDMEIM-SDNWHVSQSA-O	00000010100000000000000010000000000000000000000000000000	25-01-029394
O=C(c1cc2c(s1)CCC2)N1CCSCC1	ZINC22_49213202,MCULE-5451049161,EMOLS-id_31988702,PC-id_51083031	253.384	QQFGBRLVYIEBIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029395
O=C(c1sc2c(c1)CSC2)NC1CCCC1	CK1987879,PC-id_6619738	253.384	PXGRMVRACBMSDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029396
CC(C)N1Sc2c(S1=O)sc(=O)s2	PC-id_91691367	253.385	VMRIYQUCQIHBNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029397
CCCON1Sc2c(S1)sc(=O)s2	PC-id_91691366	253.385	ABSHURNCQNMREX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029398
CSc1scc2c1CN(C2)CC1=NCCN1	PC-id_15284979,SCHEMBL9241395	253.387	KWKAFRDLKOICBL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029399
CCCCCCCCn1sc2c(c1=O)CCC2	PC-id_13747914,SCHEMBL9169967	253.404	DBPVSDIMSRTXMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029400
CCC(CNCc1sc2c(c1)CCC2)(CC)O	PC-id_114492880	253.404	MHWZZMVVBISTCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029401
CCC(CNCc1sc2c(c1)CCC2)(CO)C	PC-id_81419720,EMOLS-id_315027134	253.404	IYOGNJYRQHWWAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029402
CC(C(CNCc1sc2c(c1)CCC2)(O)C)C	PC-id_114492881,EMOLS-id_315217676	253.404	QSYSHPVVFWAIDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029403
CCCNCc1csc2c1C(C)(C)OC2(C)C	PC-id_113626020	253.404	ORWLZMXHYNTGGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029404
CCCOCC(c1sc2c(c1)CCC2)NCC	PC-id_105008626	253.404	OUAXUEPGTOXBMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029405
CC(COCCNCc1sc2c(c1)CCC2)C	PC-id_113835965	253.404	OEPPXTHNUKLHSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029406
CC(NCc1csc2c1C(C)(C)OC2(C)C)C	PC-id_113626033	253.404	WAJPNPPNRCOLFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029407
CCNC(c1sc2c(c1)CCC2)COC(C)C	PC-id_105013454	253.404	IHNVNYIXUFJXFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029408
CCOCC(c1sc2c(c1)CCC2)NCCC	PC-id_113670511	253.404	IRXBZJAYYPHQEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029409
CC(OCCNCc1sc2c(c1)CCC2)(C)C	EMOLS-id_315766240,PC-id_112588872	253.404	PUORZMVTNGBKRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029410
COCCC(C(c1sc2c(c1)CCC2)NC)C	PC-id_105044228	253.404	UQYOOJWFNBLWLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029411
COCCCC(c1sc2c(c1)CCC2)NCC	PC-id_105055124	253.404	XVWKBOOXRMBTIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029412
COC(CCC(c1sc2c(c1)CCC2)N)(C)C	PC-id_113766851	253.404	BBVCSEJABLXALD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029413
COCC(C(C)C)NCc1sc2c(c1)CCC2	EMOLS-id_314521115,PC-id_80407995	253.404	YECXMPYOXJIZEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029414
COC(CCNCc1sc2c(c1)CCC2)(C)C	PC-id_113767121	253.404	OJIYGPRGDNRBER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029415
OCCCCCCNCc1sc2c(c1)CCC2	PC-id_113991424	253.404	VZCHUBSNLYCHRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029416
s1c2c(CCC2)cc1CNCCOCCCC	PC-id_54956290	253.404	UXQLAJQXGWDHLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029417
s1c(C(O)C(CC(C)C)CN)cc2c1CCC2	PC-id_65188195	253.404	HGRYMZHSEACVOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029418
[Si](CC1C(c2n(C1)ccc2)(C)C)c1ccccc1	PC-id_10824924	253.414	JDMLTCCZCHNEMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029419
Cc1c2CNCc2nn1COCC[Si](C)(C)C	EMOLS-id_337738680	253.416	ZGWBBOXCDFNRLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029420
CC1SCCC1NCc1sc2c(c1)CCC2	PC-id_102672082	253.427	QFICBTRCCRUIBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029421
S1CCC(C1)CNCc1sc2c(c1)CCC2	PC-id_107131930	253.427	SMTZDFNZHAMKIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029422
S1CCC(CC1)NCc1sc2c(c1)CCC2	EMOLS-id_38138579,PC-id_61207772	253.427	IPCOVGNWAZKUPU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-029423
S1C(CC(NCc2sc3c(CCC3)c2)C1)C	PC-id_79950673	253.427	OKFNGLNSSVIVLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029424
S1CC(NCc2sc3c(CCC3)c2)CCC1	PC-id_62871998	253.427	NFQFNSACPZGSBO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-029425
c1(CBr)c2COCc2sc1Cl	EMOLS-id_331066656,MCULE-8838647235	253.544	BJQNXLZBUQEMFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029426
c1(CCl)c2COCc2sc1Br	MCULE-6097549236,EMOLS-id_331063328	253.544	CFELNIJKCMLBKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029427
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)[Rb]	SCHEMBL13113855	253.598	UZQJUZJEPUUGAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029428
ClC(=O)c1nc2n(c1)NC(S2)C(F)(F)C	SCHEMBL18678411	253.657	CZIMBOGXSYLROM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029429
ClC1CCC(CC1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319680027	253.728	YYFJMHAXNUYTOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029430
ClC1CCC(CC1)C(=O)N1CCn2c1ccn2	EMOLS-id_319610511	253.728	QLVUMZXFRGNXEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029431
ClC1CCC(CC1)C(=O)N1CCn2c1ncc2	EMOLS-id_319376229	253.728	XNKZEFIESUJLEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029432
Clc1sc2c(c1)C(CC2)NCc1cocc1	PC-id_116376573	253.748	FSENWIRCALHGFL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-029433
Clc1sc2CCC(NCc3occc3)c2c1	PC-id_81251392	253.748	NIZICCBPJYTUSG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-029434
Clc1sc2c(c1)C(CC2)Nc1ccnn1C	PC-id_115921296	253.751	KGBLWGINKAKVTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029435
Clc1sc2CCC(Nc3cn(nc3)C)c2c1	PC-id_81252993	253.751	VNSQAZBUMLFBOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029436
Clc1sc2CCC(Nc3nn(cc3)C)c2c1	PC-id_81252178	253.751	ZWLSJHFTGHUJDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029437
Clc1sc2c(C(NCc3c[nH]nc3)CC2)c1	PC-id_81252493	253.751	MIGYDPDLGIXIAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029438
Clc1sc2c(C(NCc3[nH]ccn3)CC2)c1	PC-id_81251745	253.751	RWNUTIVSHKFTJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029439
Clc1sc2c(C(NCc3[nH]cnc3)CC2)c1	PC-id_81251534	253.751	AVNGCFSNZFFTDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029440
Clc1sc2c(C(NCc3[nH]ncc3)CC2)c1	PC-id_81252184	253.751	MRTSCUDVOBFHSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029441
CCCC(C#C)NC1CCc2c1cc(s2)Cl	PC-id_106226395	253.791	HUWDXQVOHPVALF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029442
C#CCC(NC1CCc2c1cc(s2)Cl)CC	PC-id_116125870	253.791	LIMHJBPXGWGKIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029443
Clc1cc2c(s1)CCC2NCCCCC#C	PC-id_115893795	253.791	DBZRCKKQGBOGOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029444
Clc1sc2c(c1)C(CC2)NC1CCCC=C1	PC-id_115893688	253.791	BSVRSVFHYJQHMS-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-029445
Clc1sc2c(C(NC3CCC=CC3)CC2)c1	PC-id_81251434	253.791	ODWZLIHZPAWGMV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-029446
CSC1=C2C(=C(S1)Cl)CC(C2=O)(F)F	PC-id_148359678	253.944	LKESJAANGRXENV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029447
C1C2=C(CS1)SC(=C2F)C(=O)N3C=CN=C3	PC-id_146937825	253.998	AGGQZLYOJREKDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029448
CC1=C2C(=CS1)C(=C(C#N)C#N)C(=C(C)C)C2=O	PC-id_155267945	254.051	GNXPGIZGNYETAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029449
CC1=C2C(=CS1)C(=O)C(=C(C)C)C2=C(C#N)C#N	PC-id_155267946	254.051	GVLXYFVFXJEYNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029450
CC1=CSC2=C1C(=O)C(=C(C)C)C2=C(C#N)C#N	PC-id_155267952	254.051	BVZOIPYASSJGOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029451
C/C=C/1C(=C(C#N)C#N)C2=C(SC(=C2C1=O)C)C	PC-id_163918705	254.051	QYNOYVZJICMWSG-ONNFQVAWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029452
C1C(C(=O)C2=C1NC(=C2)C(=O)[O-])CC3=CC=CC=C3	PC-id_153808932	254.082	HICLOHDXUKHFCZ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-029453
CC(C)(C)OC(=O)NC1=NCC2=C1SC(=N2)N	PC-id_160220200	254.084	HQFUTUQYNBMTOQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029454
CC(C)(C)OC(=O)N1CCN2C1=C(N=N2)C(=O)O	EMOLS-id_324188068,PC-id_149212169	254.102	XGUKRMMZONWISJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029455
C/C(=N/OC1=NC2=C(N1C)CC=C2)/C3=CC=CC=N3	PC-id_153714206	254.117	GOJWEUJACFWBER-YVLHZVERSA-N	00000011100000101001000010000000000000000000000000000000	25-01-029456
Brc1sc2c(c1)S(=O)(=O)NC2	PC-id_69019148,SCHEMBL4370026	254.125	YKUNSVVVKJUPRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029457
c12C(C)CCc1n(nc2Br)CCC#N	MCULE-5637773441,EMOLS-id_330971896	254.126	PQPKXTCKGBKKDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029458
c12C(C)CCc1nn(CCC#N)c2Br	EMOLS-id_331020714,MCULE-7411711658	254.126	LRMIEOCWCLKVCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029459
CC(C)(C)[Si](C)(C)OCC1CN2C(=CC=N2)O1	PC-id_165370324	254.145	NPUNUMNCUQXHGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029460
O=CCn1nc(c2c1C(F)(F)CC2)C(F)(F)F	PC-id_144668066	254.157	ZOPBKLFCRAEZDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029461
CCC(C)C1=NN(C2=C1CCC2)CC3=CC=CC=C3	PC-id_155238896	254.178	LHXGTICKTGLOGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029462
C[N+](C)(C)CCCNC1=C(C(=O)N2N1CCC2)N	PC-id_154460647	254.198	ZHAZLHSHRPZMOJ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-029463
CC(C)n1c2c(CC(C2)(F)F)c(n1)C(F)(F)F	SCHEMBL15724381,PC-id_90162758	254.2	VEOUHBOSXRJEBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029464
CC(C)n1c2c(c(n1)C(F)(F)F)C(CC2)(F)F	SCHEMBL20371601,PC-id_135215839	254.2	JAEKPVWOUDHJRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029465
CCn1c2c(CC(C2(F)F)C)c(n1)C(F)(F)F	PC-id_134443930	254.2	ZXRUYRDEQKMGQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029466
CC(n1nc(c2c1C(F)(F)CC2)C(F)(F)F)C	SCHEMBL18854109	254.2	QEKDBXFIHIRBSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029467
CCn1nc(c2c1C(F)(F)C[C@@H]2C)C(F)(F)F	PC-id_144693858	254.2	NLTHVWZJBPFHRG-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029468
CCn1nc(c2c1C(F)(F)[C@@H](C2)C)C(F)(F)F	SCHEMBL20079129	254.2	ZXRUYRDEQKMGQG-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029469
O=C1N(C1=O)Nc1sc2c(c1C(=O)O)CCO2	PC-id_145830736	254.219	GHIJFMWZOWGUEN-UHFFFAOYSA-N	00010010100000000000000010000000000000000000000000000000	25-01-029470
C1Cn2c(c(cn2)[N+](=O)[O-])N1CCCNC(=O)[O-]	SCHEMBL15153757,PC-id_89724194	254.223	FGFGTNHGVYXNLD-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-029471
CCn1nc(c2c1CS(=O)(=O)C2)C(F)(F)F	SCHEMBL18854018	254.229	LCHHJESNDOQVHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029472
F[C@@H]1C[C@@H](n2c1cc(n2)S(=O)(=O)C(F)F)C	PC-id_138605523,SCHEMBL20967761	254.229	UBYXHPBAIWSOEH-CRCLSJGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029473
c12nc(oc1CN(C(=O)OC(C)(C)C)C2)C(=O)O	EMOLS-id_32233830,PC-id_66614583,MCULE-1891448897,ZINC22_62716722,SCHEMBL175997	254.239	XVBBPJYJAIKIKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029474
O(C(C)(C)C)C(=O)N1Cc2c(noc2C(=O)O)C1	PC-id_82381637	254.239	DKLDNSKUHFYSCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029475
O(C(C)(C)C)C(=O)N1Cc2c(onc2C(=O)O)C1	PC-id_83680007	254.239	VNQGGYSBCCXCQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029476
O(C(C)(C)C)C(=O)N1CCc2noc(c12)C(=O)O	PC-id_82381636	254.239	QCPOPKNAOUSODC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029477
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)/Cn2cccc12	CoCoCo_4588812,ZINC22_12804516,PC-id_24239348	254.241	VARVMECBYPCKDX-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029478
O=C1C(=Cc2cc([N+](=O)[O-])ccc2)Cn2c1ccc2	MCULE-3581445331,PC-id_72057150,EMOLS-id_300266336	254.241	VARVMECBYPCKDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029479
[O-][N+](=O)c1cccc(c1)/C=C
/Cn2c(C1=O)ccc2	CoCoCo_4588813	254.241	VARVMECBYPCKDX-XFFZJAGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029480
O(C(C)(C)C)C(=O)N1CCn2ncc([N+](=O)[O-])c12	PC-id_58464759,SCHEMBL2522598	254.243	PQAANRDIRGWVEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029481
O(C(=O)N1Cc2n(nc(N)c2C1)C(=O)OCC)C	PC-id_58811483	254.243	GTCNJYDWAHVKAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029482
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CN1COCC1	PC-id_141088133	254.243	DFFAKHFPHCMWMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029483
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CNC(=O)CC	PC-id_145128327	254.243	WPGUABVOCKQBJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029484
[O-][N+](=O)c1cc(C#Cc2nnn3CCCc23)ccc1	PC-id_71747299	254.244	KSMKEMKKDMXPIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029485
[O-][N+](=O)c1ccc(C#Cc2nnn3CCCc23)cc1	PC-id_71747301	254.244	YPZDRZIMAPDPLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029486
N#Cc1cnc(C(=O)N=c2cc3n([nH]2)CCC3)cn1	ZINC22_1875367497,MCULE-5605225685	254.247	IGGZDXLHAUITMY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-029487
Fc1ccc(C(=O)c2n3CCC(c3cc2)C#N)cc1	SCHEMBL11348019,PC-id_21331552	254.259	RMKAJMSWTQTDCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029488
Fc1cc(C(=O)c2n3CCC(c3cc2)C#N)ccc1	PC-id_21331548,SCHEMBL11350964	254.259	QIXMKWFPTWTKIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029489
Fc1c(C(=O)c2n3CCC(c3cc2)C#N)cccc1	SCHEMBL11348856,PC-id_21331553	254.259	UCOZAYJOXRAAIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029490
CN1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960100	254.261	AFZYYURSPRNNON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029491
[O-]C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_20351642,CHEBI:76229	254.261	OZWKMVRBQXNZKK-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-029492
[O-]C(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_25271840	254.261	OZWKMVRBQXNZKK-LLVKDONJSA-M	00000010100000110000000010000000000000000000000000000000	25-01-029493
[O-]C(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_25271959	254.261	OZWKMVRBQXNZKK-NSHDSACASA-M	00000010100000110000000010000000000000000000000000000000	25-01-029494
OC(=O)C1=C(CCc2ccccc2)c2c([N]1)cn[nH]2	SCHEMBL4060047	254.264	DKQGANKJXPSFFP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-029495
OC(=O)C1=C(CCc2ccccc2)c2c([N]1)[nH]nc2	SCHEMBL4566439	254.264	VNVXDGJIXGGOCU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-029496
O=S(=O)(c1cnc2n1CCC2)Nc1nocc1	EMOLS-id_97704175	254.266	FODLCGUETJJCER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029497
O=S(=O)(c1cnc2n1CCC2)Nc1nnc[nH]1	EMOLS-id_97700084	254.269	FQTFWAQPZAOAGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029498
o1c(c2c(c1[C@H](O)CO)COC2=O)CCCCC	PC-id_10354947	254.279	WBFLTSXAHCDLOK-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029499
o1c(c2c(c1C(O)CO)COC2=O)CCCCC	PC-id_85119729	254.279	WBFLTSXAHCDLOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029500
COC(=O)c1c2C=[SH-]=Cn2c(c1C(=O)OC)C	PC-id_102238499	254.282	UFFGNSXIIJRNGB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029501
o1[nH]c2C(N(Cc2c1=O)C(=O)OC(C)(C)C)(C)C	PC-id_70235794,SCHEMBL7947109	254.282	GEVHAVCLAXBWKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029502
O(C(=O)N1C(c2[nH]oc(=O)c2C1)CC)C(C)(C)C	PC-id_83851324	254.282	JCNOJEWGEMUWFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029503
c12c(C)[nH]c(C)c1C(=O)N(Cc1ccccc1)C2=O	PC-id_66490129,EMOLS-id_50076071,MCULE-1831294936	254.284	ZNCMJNNMKDFTTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029504
n12CCC(C(=O)N)c1ccc2C(=O)c1ccccc1	PC-id_9795015,EMOLS-id_320332721,SCHEMBL3896918,MCULE-8445791103	254.284	HZKHUYLRRZJMEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029505
NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_33962468	254.284	HZKHUYLRRZJMEH-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-029506
NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_33962469	254.284	HZKHUYLRRZJMEH-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029507
o1nc2CCCc2c1NC(=O)/C=C/c1ccccc1	PC-id_16942289	254.284	XYMZKWLRRCAPLY-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029508
o1nc2CCCc2c1NC(=O)C=Cc1ccccc1	PC-id_73340127	254.284	XYMZKWLRRCAPLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029509
O=C1c2c([nH]cc2C(=O)Nc2ccc(cc2)C)CC1	PC-id_59962466	254.284	GLUPXDGGWPLPGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029510
O=C1C(Cn2c1ccc2)CC(=O)Nc1ccccc1	PC-id_24042734,TIMTEC52120	254.284	FGYQODCTRXAESU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029511
O=C1Nc2n(c(c(c2C(=O)c2ccccc2)C)C)C1	PC-id_13809994	254.284	YVTRKTMPOLETAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029512
S1(=O)(=O)N(C(=O)c2c1csc2)CC=CC#N	PC-id_86254649	254.286	XUCOLBUUJUKMSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029513
C1Cc2c([nH]nc2C1=Cc1ccccc1)C(=O)NN	PC-id_86776474,MCULE-8780180384,EMOLS-id_26188605	254.287	XIEWYWRCNYIOFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029514
c1(C(=O)NN=Cc2ccccc2)c2CCCc2[nH]n1	PC-id_5400347,MCULE-6781827072,EMOLS-id_614424	254.287	QJTMTYSRGMXVMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029515
Cc1c(c(ccc1)C)N=C1C(=O)Cn2c1nc(n2)C	PC-id_91329135	254.287	OXQSIJOEMTUBAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029516
C/C(=NOc1nc2c(n1C)CC=C2)/c1ccccn1	SCHEMBL19449267	254.287	GOJWEUJACFWBER-LICLKQGHSA-N	00000011100000101001000010000000000000000000000000000000	25-01-029517
Cn1ncc(c1C=C1Cn2c(C1=O)ncc2)C1CC1	MCULE-8701498942,EMOLS-id_258060203	254.287	JHRKLBGLDWMSMH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-029518
NNC(=O)c1[nH]nc2c1CC/C/2=C/c1ccccc1	CoCoCo_3801837,PC-id_5953012,CoCoCo_3801839	254.287	XIEWYWRCNYIOFV-NTMALXAHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029519
NNC(=O)c1[nH]nc2c1CC/C/2=Cc1ccccc1	CoCoCo_3801838,CoCoCo_3801840	254.287	XIEWYWRCNYIOFV-CSKARUKUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029520
OC1=Cn2nc(nc2C1=Nc1c(cccc1C)C)C	PC-id_59096220	254.287	GFDCBENOIWBWEE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-029521
O=C(C1(CC1)c1ccccn1)N1CCn2c1ccn2	EMOLS-id_319463464	254.287	QTQYHOJZUZGNHW-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-029522
O=C(c1[nH]nc2c1CCC2)N/N=Cc1ccccc1	CoCoCo_3765080,CoCoCo_3765078	254.287	QJTMTYSRGMXVMZ-DHDCSXOGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029523
O=C(c1n[nH]c2c1CCC2)N/N=C/c1ccccc1	CoCoCo_3765079,CoCoCo_3765077,EMOLS-id_206995667,PC-id_6866842,TIMTEC403404,STOCK3S-42171	254.287	QJTMTYSRGMXVMZ-OQLLNIDSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029524
CN(Cc1nnc2n1CCC2)c1ccncc1C#N	ZINC22_547824301	254.29	SZJNXNYXQUJSQP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029525
c1(C(=O)OC(C)(C)C)c2CCCc2n(CCF)n1	MCULE-6750414447,EMOLS-id_324388179	254.301	IYQOBCWKRCELPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029526
c1(C(=O)OC(C)(C)C)c2CCCc2nn1CCF	EMOLS-id_324388189,MCULE-1020513895	254.301	KDTUEVKYYXKFTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029527
CCC1Cc2c(C1)cc(s2)C(C(=O)O)C(=O)O	PC-id_21317992,SCHEMBL11530267	254.302	KJSSHUHCIWFJDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029528
S1(=O)(=O)C(c2c(C1)coc2)CCCC(=O)C=C	PC-id_85626815	254.302	NVRKXNLCLUZKKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029529
S1(=O)(=O)Cc2c(C1)coc2C(=O)CCCC=C	PC-id_11128859	254.302	SKGTZRIZPMTBMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029530
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)N	MCULE-5899608427,EMOLS-id_181348355,SCHEMBL8289506,PC-id_19178363	254.305	GZHURNJRJSHAJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029531
c1(NC(=O)N)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6689952,EMOLS-id_12606626,PC-id_25249129,MCULE-4331906435,ZINC22_20100256	254.305	CSAUOSPYYZERDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029532
CC(C)(C)OC(=O)Nc1nc2C(=O)CCc2s1	EMOLS-id_331266310	254.305	ZVJFNEUEWVULRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029533
CCNC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_37552269,PC-id_43164854	254.305	ZKFQRPDWHHZUBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029534
CC(OC(=O)c1ccn2c1SC(C2)C(=O)N)C	PC-id_139944678	254.305	DLWFFJAMWXRDJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029535
CCOC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_5869910,PC-id_3417695,MCULE-8579716368	254.305	VKFYTTYCEWXJHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029536
CN(C(=O)Nc1sc2c(c1C(=O)O)CCC2)C	PC-id_79153274,EMOLS-id_42060484	254.305	YCLGGRKBGXPMRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029537
COCC(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_38846118,MCULE-1377428916,CoCoCo_3440021,EMOLS-id_29668158	254.305	XBJPJLRZCBMVKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029538
COC(=O)CCC(=O)Nc1sc2c(n1)CCC2	MCULE-9946891874,PC-id_47150761,EMOLS-id_35693641	254.305	UPSXIOIKKHCSOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029539
NCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_60641605,EMOLS-id_37204806	254.305	QLINUFNGAORUMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029540
OC(C(=O)N)CNC(=O)c1sc2c(c1)CCC2	PC-id_106164549	254.305	WFHBDBAKVFMPLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029541
OC(=O)C1CCc2c1nc(s2)NC1COCC1	PC-id_104289117	254.305	GQSPXMDKLMMOEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029542
OC(=O)CCCC(=O)Nc1sc2c(n1)CCC2	PC-id_54962990,EMOLS-id_38357079	254.305	FILWMLBURQZNAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029543
OC(=O)C(C(=O)Nc1sc2c(n1)CCC2)(C)C	EMOLS-id_315739132,PC-id_82821474	254.305	XQJAKNYMDXKCIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029544
s1c2c(CCC2)c(c1N=CNO)C(=O)OCC	PC-id_85073262	254.305	KQAFIJHNSIHEPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029545
s1c2CN(Cc2nc1C=O)C(=O)OC(C)(C)C	PC-id_53492916	254.305	IQEFSOPRPGBDAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029546
[C-]#[N+]/C(=C/1C(=CC(C)C)C(=O)c2c1scc2)/C#N	PC-id_140830373	254.307	KHMQAJJADYFYJH-CNFUXAHFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029547
N#CC(=C1/C(=C/C(C)C)/C(=O)c2c1scc2)C#N	SCHEMBL20821302,PC-id_138474633	254.307	NYHDMSVBMAQGGI-WZUFQYTHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029548
CN(C(=O)ON=C1n2ccnc2SC1(C)C)C	PC-id_54199536,SCHEMBL11185151	254.309	POFXPZHLTWLQJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029549
N#CC(CS(=O)(=O)N1Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_319722150	254.309	PGHSUWWYKDBUMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029550
N#CC(CS(=O)(=O)N1CCn2c1ncc2)(C)C	EMOLS-id_316602583	254.309	KVLXUDQXNFEKIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029551
NCC(=O)NCC(=O)Nc1sc2c(n1)CCC2	PC-id_54963901,EMOLS-id_38357771	254.309	DKCWOWDECFOEAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029552
NC(=O)CC(C(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_38357783,PC-id_54963196	254.309	NWNRQZYSIXDLBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029553
COCCNCc1noc2c1C(C)(C)OC2(C)C	EMOLS-id_260965399,PC-id_80462488	254.325	XFDMEJAWLQLWAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029554
s1c2C(N([O])C(c2cc1C(=O)OC)(C)C)(C)C	PC-id_21860661	254.325	JYKRLPBQFVTWRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029555
CC1CCc2c1c(C=O)nn2Cc1ccccc1C	MCULE-1035128251,EMOLS-id_331004406	254.327	HAUHQZXWUQTUPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029556
CC1CCc2c1c(C=O)nn2Cc1ccc(C)cc1	EMOLS-id_331000062,MCULE-3213071820	254.327	PKONJNUIXUYMGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029557
CC1CCc2c1c(C=O)nn2Cc1cccc(C)c1	EMOLS-id_331004151,MCULE-8980451903	254.327	HAELKRIOPPMTEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029558
CC1CCc2nn(Cc3ccccc3C)c(C=O)c12	EMOLS-id_330988209,MCULE-7010866416	254.327	IKPSZSKWSQQQEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029559
CC1CCc2nn(Cc3cccc(C)c3)c(C=O)c12	EMOLS-id_330987954,MCULE-3055315381	254.327	PWAHDFKIVDODPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029560
CC1CCc2nn(Cc3ccc(C)cc3)c(C=O)c12	MCULE-9228535407,EMOLS-id_330983865	254.327	IPSONVQGHWSXDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029561
Cc1ccc(cc1)NCc1ccc2n1C(C)CC2=O	PC-id_45034911,TIMTEC52109	254.327	VCYAMUZOWZMIRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029562
Cc1ccc(cc1)NCc1ccc2n1[C@H](C)CC2=O	PC-id_93531890	254.327	VCYAMUZOWZMIRU-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029563
Cc1ccc(cc1)NCc1ccc2n1[C@@H](C)CC2=O	PC-id_93531891	254.327	VCYAMUZOWZMIRU-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029564
CNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328209534,MCULE-8072511992	254.327	JCPHPURXOOBRSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029565
c1(NC(=O)CS=O)sc2c(CCC2)c1C#N	EMOLS-id_320678253,MCULE-2053475727	254.329	POCZTHPJFVVOLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029566
CCNc1nn(c2c1CNC2(C)C)COOCC	SCHEMBL13559227,PC-id_89116256	254.329	XFPFNEKKDBQYLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029567
O(C(OC)C(NC(c1n2CCCc2nn1)C)C)C	PC-id_64388298	254.329	LDKPZARJUCSNGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029568
S=C1N(C(=S)c2n1ccc2)CC(=O)OCC	PC-id_14955368	254.329	AMPFUBSGJNFVEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029569
CCOC(=O)c1csc2c1C(C)(C)OC2(C)C	PC-id_114748150	254.345	INMXKAYOVDIGKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029570
c12c(CN)csc1CN(C(=O)OC(C)(C)C)C2	MCULE-1638595816,EMOLS-id_331063842	254.349	IOZAPWBSHZZVKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029571
c1(C(=O)NCCCOC)c2CCCc2sc1N	MCULE-4582950290,EMOLS-id_37174888,TIMTEC155132,ZINC22_100102706,PC-id_49756374	254.349	FSRHLHYKGDWGIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029572
c1(C(=O)OCC)c2CSCc2nn1CC(C)C	MCULE-7153416216,EMOLS-id_324395099	254.349	UNTCMEVMIKYHQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029573
CCCCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_314317343,PC-id_104287532	254.349	MBXQBXPKZRNSNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029574
CCCCCNC(=O)n1sc2c(c1=O)CCC2	PC-id_20159718,SCHEMBL10741265	254.349	BRGSFJWRGVQROE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029575
CC(CCNc1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_315823072,PC-id_104287546	254.349	BRPJFLXVLJSQED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029576
CCCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287499	254.349	AMDWERCEHRYPFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029577
CCCCN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104287755,EMOLS-id_315824608	254.349	KXAGWMPFDCAZOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029578
CCC(CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288585	254.349	IZVAFWBBWJNQOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029579
CC(C)(C)OC(=O)N1Cc2cc(CN)sc2C1	EMOLS-id_331214783,MCULE-8836715887	254.349	PZECNZUKZUNFIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029580
CCCN(c1nc2c(s1)CCC2C(=O)O)CC	EMOLS-id_314841645,PC-id_104287820	254.349	AYSQPMOBNLHZAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029581
CC(CN(c1nc2c(s1)CCC2C(=O)O)C)C	EMOLS-id_315070287,PC-id_104287817	254.349	SQBHHAZUKQXQKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029582
CC(C(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104287413	254.349	WOERBJQJRZCPOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029583
CCC(Nc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_104287433,EMOLS-id_314319619	254.349	RGXMABGWMMRBQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029584
CCC(Nc1nc2c(s1)CCC2C(=O)O)CC	PC-id_104287462,EMOLS-id_260395161	254.349	FBXGULFULMDJNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029585
CCC(N(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104287823	254.349	BGXGYUJLKYALKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029586
CCCNc1sc2c(n1)C(CC2)C(=O)OCC	EMOLS-id_315821551,PC-id_104287432	254.349	YMYFQZDCUIDGHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029587
CC(C)OCCC(=O)Nc1nc2c(s1)CCC2	PC-id_75414444,ZINC22_95948830,EMOLS-id_48744237,MCULE-1032573895	254.349	JGWANGKTMCZKJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029588
CCN(c1nc2c(s1)CCC2C(=O)O)C(C)C	EMOLS-id_315825376,PC-id_104287808	254.349	ANTJNZGEQOJKOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029589
CCOC(=O)C1CCc2c1nc(s2)CN(C)C	PC-id_104287130	254.349	UARRJCRJOAYBRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029590
CCOC(=O)C1CCc2c1nc(s2)NC(C)C	PC-id_104287442,EMOLS-id_260542393	254.349	OWUAJENFCPFFHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029591
CCOC(=O)C1CCc2c1nc(s2)N(CC)C	PC-id_104287799	254.349	DTFPTTGMYRNMGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029592
CNC(=O)c1c(N)sc2c1C(C)(C)OC2(C)C	PC-id_79918444,EMOLS-id_314489115	254.349	WWLYIUZTTIYJLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029593
CN(C(=O)OC(C)(C)C)N1Cc2c(C1)ccs2	SCHEMBL1025293,PC-id_66880308	254.349	YAQBPVBVVVOQHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029594
COCC(C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_315573314,PC-id_81088843	254.349	YBDDYDKNOVSIIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029595
NCC(C(=O)NCc1sc2c(c1)CCC2)OC	PC-id_106112384	254.349	DGJWMGJPIMTBAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029596
NCCOCC(=O)NCc1sc2c(c1)CCC2	PC-id_79473521,EMOLS-id_42302031	254.349	PPTMDSHVTQQDEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029597
O=C(Nc1sc2c(n1)CCC2)COC(C)(C)C	PC-id_112605403	254.349	CNYMPAGZXRRVOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029598
OC(=O)C1CCc2c1nc(s2)NCC(C)(C)C	EMOLS-id_315823841,PC-id_104288073	254.349	TYFHFPVTOUIRQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029599
s1c2CCCc2cc1C(=O)NCC(N)C(O)C	PC-id_64539146	254.349	RWGAKVHTSCPJER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029600
N#Cc1cccc(c1)NCc1sc2c(c1)CCC2	PC-id_113741065	254.35	KISSLTPONQVQQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029601
N#Cc1ccc(cc1)NCc1sc2c(c1)CCC2	PC-id_61208764,EMOLS-id_315042424	254.35	LIPZXGJSNOYWNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029602
N#Cc1ccccc1NCc1sc2c(c1)CCC2	PC-id_61208765,EMOLS-id_314101701	254.35	PSQMSQZDLATWHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029603
c12SCCn1cc(CNCC1(CNCC1)O)n2	MCULE-3671764996,PC-id_70738801,EMOLS-id_43575253	254.352	OUDVSQISGINIMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029604
CC1CC(c2n1ncn2)NCC1(O)CSCC1	EMOLS-id_279083453	254.352	LXPZGGCZTCQEFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029605
CNn1nc(c2c1CCS2)NC1CCOCC1	PC-id_143792388	254.352	XZNXPSOVFVQQBD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029606
O[C@@]1(CNCc2cn3c(n2)SCC3)CCNC1	ZINC22_77392763	254.352	OUDVSQISGINIMB-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-029607
O[C@]1(CNCc2cn3c(n2)SCC3)CCNC1	ZINC22_77392769	254.352	OUDVSQISGINIMB-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029608
s1c2CN(Cc2nc1N)CC(=O)NCC(C)C	PC-id_82194293	254.352	BSSTZVVAOHXJCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029609
s1c2CN(Cc2nc1N)CC(=O)NCCCC	PC-id_82194296	254.352	QMYSFCSQFAFPSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029610
s1c2CN(Cc2nc1N)CC(=O)N(CC)CC	PC-id_82194322	254.352	IQNSIBRPNONTND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029611
s1c2CN(Cc2nc1N)CC(=O)NC(CC)C	PC-id_82194327	254.352	LYKMHMSSURTIJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029612
s1c2CN(CCN3CCOCC3)Cc2nc1N	PC-id_82194315	254.352	XOKGUSFVGDIQLK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029613
CCC1Cc2c(C1)cc(s2)CC(=S)C(=O)O	SCHEMBL11530553	254.368	JRFPGLOENJJSFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029614
O=C(c1sc2c(c1)CCC2)OCC1CSC1	EMOLS-id_319103551	254.368	BRJZMNQQQDLDLO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-029615
S1C(C(CC)CC)C(=O)c2c1sc(c2)C=O	PC-id_82380944	254.368	LJYWZRPPVORAMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029616
c12C(C)CCc1nn(Cc1ccccc1C(C)C)c2	EMOLS-id_330999468,MCULE-9086542471	254.37	ABXFUCZUIGHUFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029617
c12C(C)CCc1nn(Cc1ccc(cc1)C(C)C)c2	MCULE-2200652028,EMOLS-id_330998692	254.37	NJKIOKBOWFKGGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029618
c12C(C)CCc1nn(Cc1ccc(cc1)CCC)c2	MCULE-3708148103,EMOLS-id_330998436	254.37	RJWLBHXDTGNVTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029619
c12C(C)CCc1nn(Cc1c(C)cc(cc1C)C)c2	MCULE-4358711856,EMOLS-id_330999212	254.37	VRHUFWZIFGMMHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029620
c12C(C)CCc1nn(Cc1c(C)cc(c(C)c1)C)c2	EMOLS-id_330998956,MCULE-2810764078	254.37	CLJWIXHVMQLHQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029621
c12C(C)CCc1nn(Cc1cccc(C(C)C)c1)c2	EMOLS-id_330998189,MCULE-7234261107	254.37	OMQMGUURUATSOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029622
CC1CCc2c1cnn2Cc1cc(C)c(C)cc1C	MCULE-3651228067,EMOLS-id_331017198	254.37	GPCMCNDDUNDEBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029623
CC1CCc2c1cnn2Cc1c(C)cc(C)cc1C	MCULE-7610994147,EMOLS-id_331017454	254.37	QNRKEQOYZCMASH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029624
CCc1ccccc1C(C)n1cc2C(C)CCc2n1	EMOLS-id_331004321,MCULE-7374948527	254.37	YFLLPGDKMRFZOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029625
CCc1ccc(cc1)C(C)n1cc2C(C)CCc2n1	MCULE-1928150219,EMOLS-id_330999981	254.37	ORNGLZBHDWHJHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029626
CCc1cccc(c1)C(C)n1cc2C(C)CCc2n1	MCULE-4007293438,EMOLS-id_331002784	254.37	VIDWCZXBIBDVPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029627
CC(c1cccc(C)c1C)n1cc2C(C)CCc2n1	MCULE-4150630714,EMOLS-id_331003808	254.37	FTVAQUJFAVJICM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029628
CC(c1cc(C)ccc1C)n1cc2C(C)CCc2n1	MCULE-4869857331,EMOLS-id_331002528	254.37	WVCQRXBIZLRJCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029629
CC(c1c(C)cccc1C)n1cc2C(C)CCc2n1	MCULE-5711042979,EMOLS-id_331004577	254.37	XOYKWGQYIKDNJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029630
CC(c1ccc(C)cc1C)n1cc2C(C)CCc2n1	MCULE-8327946377,EMOLS-id_331000237	254.37	LIPQQKKIXIEVME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029631
CC(c1ccc(C)c(C)c1)n1cc2C(C)CCc2n1	EMOLS-id_330999725,MCULE-4189199726	254.37	OZQIXIYKOQDVRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029632
CC(c1cc(C)cc(C)c1)n1cc2C(C)CCc2n1	MCULE-3891050152,EMOLS-id_331003552	254.37	LHESDDVWTZPSFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029633
CC(C)c1ccccc1Cn1ncc2C(C)CCc12	EMOLS-id_331017710,MCULE-7589682422	254.37	MTZZDVXLWXETMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029634
CC(C)c1cccc(Cn2ncc3C(C)CCc23)c1	EMOLS-id_331016431,MCULE-4504295857	254.37	UPGDPASGDXCNGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029635
CC(C)c1ccc(Cn2ncc3C(C)CCc23)cc1	EMOLS-id_331016934,MCULE-1895525837	254.37	QBXFDYUWIUQJLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029636
CCCc1ccc(Cn2ncc3C(C)CCc23)cc1	MCULE-1695868084,EMOLS-id_331016678	254.37	XHSDHJDFRXZQIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029637
n12C(CC(NCCc3ccccc3)c1ccc2)(C)C	PC-id_3567494	254.37	KIZKJEQENKLHAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029638
CC(C(=S)N)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_38082992,PC-id_61119673	254.372	IFLRPSMLLUQODS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029639
NC(=S)CCNC(=O)c1sc2c(c1)CCC2	PC-id_62666496,EMOLS-id_39247774	254.372	FUFGBMXPXPENMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029640
O=C(C[N@H+](C(C)C)C)/N=c/1[nH]c2c(s1)CCC2	GD-id_ZINC49398865	254.372	DPZGNRVKUOXUGD-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-029641
s1c2CCCc2cc1C(=O)N(CC(=S)N)C	PC-id_61901713	254.372	TYCDALBLEAYNEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029642
CCCCCCCCC1(C)Oc2c(O1)csc2	PC-id_141058651	254.388	KDHBARGUQGBTOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029643
COC(CCC(c1sc2c(c1)CCC2)O)(C)C	PC-id_113766452	254.388	LLBBHAKVGOYERT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029644
CC(C(c1nc2c(s1)C(OC2(C)C)(C)C)N)C	EMOLS-id_314488859,PC-id_79918255	254.392	PYBQQBDNUZDDBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029645
CCC(c1nc2c(s1)C(OC2(C)C)(C)C)(N)C	PC-id_79918663,EMOLS-id_315473454	254.392	VIZXTVZAQDGANM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029646
CCCC(c1nc2c(s1)C(OC2(C)C)(C)C)N	EMOLS-id_314364106,PC-id_79918254	254.392	DGCAGRVACQYGOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029647
CCC(Cc1nc2c(s1)C(OC2(C)C)(C)C)N	PC-id_79918900,EMOLS-id_314856773	254.392	QWARBWFXXXBMDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029648
CCCC(CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908764	254.392	VLVRANDZJQJWDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029649
CC(CC(CNCc1sc2c(n1)CCC2)O)C	PC-id_109948548	254.392	MSFHWSUSKYOUMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029650
CCC(C(CNCc1sc2c(n1)CCC2)O)C	PC-id_109948584	254.392	YNPPOXOPXIPRJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029651
CCCCn1c(=N)sc2c1C(C)(C)OC2(C)C	PC-id_69234516,SCHEMBL4900911	254.392	VQJGLCJIHMNMGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029652
CCCC(NCc1sc2c(n1)CCC2)(CO)C	PC-id_109948599	254.392	BXZQHCXRSCBKLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029653
CC(Cn1c(=N)sc2c1C(C)(C)OC2(C)C)C	PC-id_66851859,SCHEMBL945001	254.392	ATPGNCNARYIMQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029654
CC(CNc1nc2c(s1)C(OC2(C)C)(C)C)C	EMOLS-id_315470125,PC-id_79917044	254.392	SKLRQHZZQSPFSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029655
CCCNCc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_314856517,PC-id_79916568	254.392	OSUZJNFDHXLZPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029656
CCCNC(c1sc2c(n1)CCC2)(COC)C	PC-id_55086139,EMOLS-id_39145536	254.392	PJZGAAFULUTWEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029657
CC(CN(C(C)C)Cc1sc2c(n1)CCC2)O	PC-id_109974793	254.392	JRGZHJGVGYVUOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029658
CC(Nc1nc2c(s1)C(OC2(C)C)(C)C)(C)C	PC-id_79916785,EMOLS-id_315473708	254.392	UPCAWTFVOPSZEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029659
CC(NCc1nc2c(s1)C(OC2(C)C)(C)C)C	EMOLS-id_314489371,PC-id_79916798	254.392	JLXIQIHWYYUVPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029660
CCNC(c1sc2c(n1)CCC2)C(COC)C	PC-id_116502424	254.392	LMDWZPJUUGSDQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029661
CCNC(c1sc2c(n1)CCC2)(COC)CC	EMOLS-id_40483398,PC-id_64398382	254.392	DIFRQLLCLMREKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029662
CCNC(c1sc2c(n1)CCC2)(C(OC)C)C	PC-id_116161208	254.392	VCBJHSRRWUKONY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029663
CCN(CC(O)(C)C)Cc1sc2c(n1)CCC2	PC-id_109974881	254.392	UUMWKXQPLMCYMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029664
CCOCC(c1sc2c(n1)CCC2)(NCC)C	PC-id_116247848	254.392	DZXLVKISPWVKOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029665
CNC(c1sc2c(n1)CCC2)CC(OC)(C)C	PC-id_106676090	254.392	LBHAGNDLXBTCPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029666
CNCC(c1nc2c(s1)C(OC2(C)C)(C)C)C	EMOLS-id_314551373,PC-id_113421286	254.392	SGQDMDXGGMZGOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029667
CN(CC(CNCc1sc2c(c1)CCC2)O)C	EMOLS-id_38138617,PC-id_61207780	254.392	KSZDTGMVNBBYLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029668
COCC(c1sc2c(n1)CCC2)(C(C)C)NC	EMOLS-id_314430437,PC-id_80411069	254.392	IQROCALQNVHNGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029669
COCC(c1sc2c(n1)CCC2)(NC(C)C)C	EMOLS-id_39145548,PC-id_62534932	254.392	DCDOLGSERFPQHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029670
COC(CC(c1sc2c(n1)CCC2)(N)C)(C)C	EMOLS-id_38235550,PC-id_61330496	254.392	XFNUZQKELRJCLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029671
COCCC(c1sc2c(n1)CCC2)(NCC)C	PC-id_61872382,EMOLS-id_38640925	254.392	MDWTVHPIHHJVMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029672
COCCC(C(c1sc2c(c1)CCC2)NN)C	PC-id_105337946	254.392	PFYGSDSMRQURDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029673
COCCNC(c1sc2c(n1)CCC2)CCC	EMOLS-id_39150889,PC-id_62542085	254.392	MWHCJTRGOQTORM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029674
COCCNC(c1sc2c(n1)CCC2)(CC)C	EMOLS-id_39150897,PC-id_62542108	254.392	PLXPFESMVTZHIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029675
COCCNC(c1sc2c(n1)CCC2)C(C)C	PC-id_62542252,EMOLS-id_39150891	254.392	NCQAYLBRVMECJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029676
COCCNCCNCc1sc2c(c1)CCC2	PC-id_104379490	254.392	IJRVXYLMAXZTQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029677
NCC(c1nc2c(s1)C(OC2(C)C)(C)C)(C)C	PC-id_103097111	254.392	QTBVDHGSNNBWGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029678
NCCCCc1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79916347,EMOLS-id_315471663	254.392	HNCFCSOOHFIRHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029679
OCC(CC(C)C)NCc1sc2c(n1)CCC2	PC-id_109948532	254.392	FIKRXDVKEPWSGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029680
OC(C(C)C)CCNCc1sc2c(n1)CCC2	PC-id_109948662	254.392	WWOPESWNLFYXJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029681
OCCC(C(C)C)NCc1sc2c(n1)CCC2	PC-id_109948673	254.392	NLRKGFMACISBLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029682
OC(C(C)C)CNC(c1sc2c(n1)CCC2)C	PC-id_110017278	254.392	RJGHJTBXBYUPQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029683
OCCC(CNC(c1sc2c(n1)CCC2)C)C	PC-id_109908795	254.392	NUKFFOJUNWZUIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029684
OCCC(CNCc1sc2c(n1)CCC2)(C)C	PC-id_109948682	254.392	HINJPUKUHNDAQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029685
OCCC(NC(c1sc2c(n1)CCC2)C)CC	PC-id_109908779	254.392	IRZFZLGCJUXCEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029686
CCSCCCNC(c1nnc2n1CCC2)C	PC-id_113436762,EMOLS-id_314546284	254.395	VUNCPEHNULWOSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029687
CSCCCCNC(c1nnc2n1CCC2)C	PC-id_113773816	254.395	CNYMMPOKIBQLGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029688
O=c1[nH]n2c(c1)CC(C2)O[Si](C(C)(C)C)(C)C	PC-id_139271639	254.401	WWPDOWHVOPPQMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029689
Nc1nn(c2c1CNC2)COCC[Si](C)(C)C	PC-id_58201302,SCHEMBL12747683	254.404	CKHKZZIVIFIEQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029690
C1CCC(CS1)NCc1sc2c(n1)CCC2	PC-id_115887814	254.415	BBESJSPOJJBGJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029691
C1CSC(C1)CNCc1sc2c(n1)CCC2	PC-id_115887866	254.415	KEWWFJNBQLETIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029692
CC(c1sc(c2c1N=S=N2)C(C)(C)C)(C)C	SCHEMBL255376	254.415	YKKKFVWUCQHPDS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-029693
C=CCSCCNCc1sc2c(n1)CCC2	PC-id_115887426	254.415	OMRKTEQBHBLSBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029694
CNC(c1sc2c(n1)CCC2)C1CCSC1	PC-id_107133282	254.415	IEIBSBDXUZXCGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029695
s1c(C(C)(C)C)c2c(c1C(C)(C)C)CSC2	PC-id_15683899	254.454	YFXIUSZZPAAWRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029696
CC([Si](OC1Cc2c(C1)ccs2)(C)C)(C)C	SCHEMBL7580734,PC-id_70135997	254.464	PLCVIAKBRJQLQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029697
C[Si](c1oc(c2c1COC2)[Si](C)(C)C)(C)C	PC-id_122203602	254.473	AOJOMBCBPHTFKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029698
c1(NC(=O)C(C)Cl)sc2c(CCC2)c1C#N	PC-id_43132156,MCULE-1589421792,EMOLS-id_32442586	254.736	ZTJHJVCUUHUHIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029699
Clc1sc2c(c1)C(CC2)NCc1ccno1	PC-id_106415120	254.736	CSOUTDMPUUEDIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029700
Clc1sc2CCC(NCc3nocc3)c2c1	PC-id_81251540	254.736	GDRLCVJDODPIST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029701
ClCCC(=O)Nc1c(C#N)c2c(CCC2)s1	MCULE-3193970537,PC-id_3496101,EMOLS-id_3091139,CoCoCo_3705720	254.736	JIYBSBGFFWPWSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029702
Cl[C@H](C(=O)Nc1sc2CCCc2c1C#N)C	PC-id_51885466,EMOLS-id_324000517	254.736	ZTJHJVCUUHUHIZ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-029703
Cl[C@@H](C(=O)Nc1sc2CCCc2c1C#N)C	PC-id_51885467	254.736	ZTJHJVCUUHUHIZ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029704
Clc1sc2c(C(NCc3[nH]ncn3)CC2)c1	PC-id_81252290	254.739	OJKHOMPYNXWHMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029705
CC(C1CCOC1)n1nc2CCC(C)c2c1Cl	MCULE-9673265661,EMOLS-id_330958775	254.756	KISJPOMSOVEBKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029706
ClC1=C[SH]c2c1cc(s2)S(=O)(=O)N	SCHEMBL10513042	254.757	MRMRBULOHYTFGR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-029707
Clc1sc2c(C(NC(CC)CC#N)CC2)c1	PC-id_81252502	254.779	NFUAPEYJXKMDCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029708
C/N=C(c1c(N=C)sc2c1C(C)(C)CC2)/Cl	SCHEMBL19444682	254.779	FZEJTCRWRNCTHW-GXDHUFHOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029709
N#CC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_116361983	254.779	QENSSTVKEZZARF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029710
CC1CCc2c1c(CCl)nn2CCC(C)(C)C	MCULE-5227778926,EMOLS-id_331029766	254.799	GKGXGDFMDGIUEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029711
CC1CCc2nn(CCC(C)(C)C)c(CCl)c12	MCULE-5737428391,EMOLS-id_331010998	254.799	HYLYHMKOHIHPNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029712
CCC(CC)Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331012022,MCULE-9555615581	254.799	LCHHDSYIICQZPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029713
CCC(CC)Cn1nc(CCl)c2C(C)CCc12	MCULE-3646934715,EMOLS-id_331026695	254.799	VAKLKNFRPLOHLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029714
CC(n1nc2CCC(C)c2c1CCl)C(C)(C)C	MCULE-7698681021,EMOLS-id_331013302	254.799	BQGVNJIHIQVSOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029715
CC(n1nc(CCl)c2C(C)CCc12)C(C)(C)C	EMOLS-id_331028231,MCULE-4230606685	254.799	PUQZHEBOPIQXHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029716
ClC(c1sc2c(CCC2)c1)c1sccc1	PC-id_61085370	254.799	OVTNXQNWMAVLSB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-029717
COC(=O)C1=C2CCCN2C(=C1)C(=O)C(=O)Cl	PC-id_148629450	255.03	NHWBTHWRFAAYDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029718
Brc1nc2CCC(C(F)(F)F)n2c1	EMOLS-id_337152710,MCULE-9937932136	255.035	SEXASMGVGBOJPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029719
C1C(C(=O)C2=C1NC(=C2)C(=O)O)CC3=CC=CC=C3	PC-id_153808933	255.09	HICLOHDXUKHFCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029720
O=C(c1ccccc1)c1cc2n(c1)C(C(=O)O)CC2	PD075933	255.09	WWBPHJQDGPYMKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029721
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O	ZINC22_2279,MCULE-4638687274,CHEBI:76227,EMOLS-id_10557302,SCHEMBL4103,PC-id_181818,BindingDB_PC-id_181818,PD054513	255.09	OZWKMVRBQXNZKK-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029722
Clc1n2CCCc2nc1CS(=O)(=O)Cl	PC-id_84708504	255.122	TYELWWDCTJEZFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029723
Clc1nc2n(CCC2)c1CS(=O)(=O)Cl	PC-id_84708505	255.122	PAQDZCRSDYAQJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029724
CC1=C(NC=C1C(=O)C/C2=C(C)/N=C)/C=C(/C)N=C	PC-id_155157059	255.137	UDBXCAHDDUCDGW-CAVDHDHCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029725
Brc1n(cc2C(NC3CC3)CCc12)C	PC-id_83913087	255.154	WXXUXJIELSDSLB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-029726
CC1CCc2c1c(Br)nn2CC1CC1	EMOLS-id_330972150,MCULE-6783551353	255.154	UYOAUTNQEJPQMX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029727
CC1CCc2nn(CC3CC3)c(Br)c12	EMOLS-id_331020968,MCULE-8642624679	255.154	LZSNRYISCHTDBC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029728
Cc1c(n2CC(Cc2c1C(=O)C(=O)O)F)C(=O)O	PC-id_134586596,SCHEMBL20238926	255.199	SIGFWAPREWLUQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029729
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)O)F)C(=O)O	SCHEMBL19920655,PC-id_134302937	255.199	SIGFWAPREWLUQG-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029730
C1Cn2c(c(cn2)[N+](=O)[O-])N1CCCNC(=O)O	SCHEMBL15153756,PC-id_89724193	255.231	FGFGTNHGVYXNLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029731
c1(=CC(=O)Nc2ccccc2)c(O)nc2ncnn12	PC-id_73654193,MCULE-5891572731	255.232	OAODFNZMHSKQRJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-029732
O=C(/C=c/1c(O)nc2ncnn12)Nc1ccccc1	PC-id_135727166,ZINC22_9287434	255.232	OAODFNZMHSKQRJ-RMKNXTFCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-029733
C1CC(OC1)CNC(=O)c1nn2CCOc2c1F	PC-id_91960099	255.246	FCJMTPTYLWZTGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029734
C1CN(CCC1O)C(=O)c1nn2CCOc2c1F	PC-id_91960097	255.246	SOVNHOUKLFQJIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029735
O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC2	BindingDB_PC-id_44358754,CHEMBL139489,PC-id_44358754	255.247	TXYXESJGTMAPGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029736
P(=O)(OCC)(OCC)CC1n2c(C=C1)ccc2	PC-id_13380832	255.25	VGKZDPYUUASLGI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-029737
P(=O)(OCC)(OCC)Cc1n2c(cc1)C=CC2	PC-id_13380833	255.25	NQPXGDSHZSKDHT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-029738
[O-][N+](=O)c1c(/C=NNC(=N)N)nc2n1CCS2	CoCoCo_5775620,CoCoCo_5775621	255.257	LUGVUPCGTYXTEU-KMKOMSMNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029739
[O-][N+](=O)c1c(/C=N/NC(=N)N)nc2n1CCS2	PC-id_9572247,CoCoCo_5775622,NSC709141,CoCoCo_5775619	255.257	LUGVUPCGTYXTEU-XCVCLJGOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029740
S1CCn2c1nc(c2[N+](=O)[O-])C=NN=C(N)N	PC-id_398907	255.257	LUGVUPCGTYXTEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029741
c1(C(=O)NC2CC2)c2CCCc2n(CC(F)F)n1	MCULE-5948834372,EMOLS-id_324386904	255.264	LYXJLLVOHGJNKO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029742
c1(C(=O)N)c2C(C)CCc2n(CC2CC2(F)F)n1	MCULE-8654902987,EMOLS-id_331035144	255.264	SAPDGSLFANAFDV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029743
c1(C(=O)N)c2C(C)CCc2nn1CC1CC1(F)F	EMOLS-id_331021233,MCULE-6406396342	255.264	LVGTUXNZCQWYKI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029744
O=C(C1(C)CC1(F)F)NCc1cnc2n1CCC2	EMOLS-id_318902629	255.264	CPSXALXNPZJMPW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029745
O=C(C1CC(C1)(F)F)NCc1cnc2n1CCC2	EMOLS-id_320156161,MCULE-2178719230	255.264	OJMRDIAZNLGWTB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-029746
O=C(C1CC(C1)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320270400,MCULE-4082016184	255.264	LDJNCESEROPTLU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-029747
O=C([C@H]1C[C@@H]1C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318855066	255.264	QJKDSZRIRMLPBY-YUMQZZPRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029748
O=C([C@@H]1[C@H](C1(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_318936085	255.264	GRHBWFKJXBNRAS-XCBNKYQSSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029749
O=C([C@@H]1[C@H](C1(F)F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318926457	255.264	XSZNUSVUXGYGAV-LDWIPMOCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029750
O=C(NCC(F)(F)c1n[nH]c2c1CCC2)C1CC1	ZINC22_1875320422	255.264	CJADIUPUWZOUEQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029751
OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	TT-id_D0D9JW,BindingDB_PC-id_3826,PC-id_3826,DC-id_1529,CHEMBL469,PD010012,D0D9JW,SM-id_PW_C008970,CHEBI:6129,PB-id_PA450150,MCULE-3065255051,SPECS-id_AT-687/NB01245,SPECS-id_AT-687/PE32404,EMOLS-id_902006,CHEBI:76223,ChEMBL-DNDi_CHEMBL469,SCHEMBL14891,KG-id_D08104,HMDB0014608,BindingDB-id_176654,SD001352,DB00465,CNP0195880,GRAC-id_6661	255.2686	OZWKMVRBQXNZKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029752
c1ccc(C(=O)c2cn3CCC(C(=O)O)c3c2)cc1	MCULE-5475721071,EMOLS-id_43551008,PC-id_10198970	255.269	DJZUDKBHTXZJRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029753
C1C(C(=O)O)c2n(ccc2C(=O)c2ccccc2)C1	PC-id_71587998,MCULE-5926541251	255.269	RIQZRCMKWYHMOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029754
C1Cn2c(ccc2C(=O)c2ccccc2)C1OC=O	PC-id_87392501,SCHEMBL2468231	255.269	JQRUYWPWVSTTML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029755
CCn1c2CC(=O)Oc2cc1C(=O)c1ccccc1	SCHEMBL7682148,PC-id_9816504	255.269	AUYCALOFTKHBGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029756
n12CC[C@H](C(=O)O)c1ccc2C(=O)c1ccccc1	SCHEMBL14892,LI_1797,EMOLS-id_10557300,PD057877,PC-id_181817,MCULE-9395334028,ZINC22_11012,CHEBI:76228,LI_1399,LI_11682	255.269	OZWKMVRBQXNZKK-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-029757
o1c2CCC(=O)c2c(c1)C(=O)Nc1ccc(cc1)C	PC-id_59962465	255.269	UEZMFLFSGBIOFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029758
O1c2c(n(c(c2C)C(=O)c2ccccc2)C)CC1=O	PC-id_18424248,SCHEMBL7678124	255.269	STXQXVNJWIPCHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029759
O1c2c(n(c(c2)C(=O)c2c(cccc2)C)C)CC1=O	PC-id_9859869,SCHEMBL7677927	255.269	WZUFXSYPJNTQLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029760
O1c2c(n(c(c2)C(=O)c2ccc(cc2)C)C)CC1=O	PC-id_9881515,SCHEMBL7675598	255.269	QNIUWWLHLYCRIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029761
O1c2c(n(c(c2)C(=O)c2cc(ccc2)C)C)CC1=O	SCHEMBL7680870,PC-id_9795037	255.269	DLTKRUZMPYXRGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029762
O1c2c([nH]c(c2C)C(=O)c2ccc(cc2)C)CC1=O	SCHEMBL7680735,PC-id_9881516	255.269	LYVBIKZIUJEMGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029763
O=C1c2n(CC1)c(cc2)C(=O)c1ccc(OC)cc1	PC-id_24851372	255.269	ODCNVQTYFFVRQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029764
O=C1Cc2c(C1)n(c(c2)C(=O)O)Cc1ccccc1	SCHEMBL12951908,PC-id_70805964	255.269	SATMJLGKLFHRPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029765
O=C(c1cc2c([nH]1)CCC2=O)OCc1ccccc1	PC-id_143725811	255.269	SVABITMGKHFMNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029766
O=C(c1cc2c([nH]1)C(=O)CC2)OCc1ccccc1	PC-id_143725823	255.269	MANYXSONLDIPSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029767
O=C(c1c(cc2n1CCC2)C(=O)O)c1ccccc1	PC-id_53868803,SCHEMBL2588466	255.269	HBPZQJXPNHBADH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029768
O=C(c1ccccc1)c1cc2n(c1)CC[C@@H]2C(=O)O	ZINC22_34279648,PC-id_10131273	255.269	DJZUDKBHTXZJRO-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029769
O=C(c1ccccc1)c1cc2n(c1)CC[C@H]2C(=O)O	ZINC22_67665126,PC-id_15046783	255.269	DJZUDKBHTXZJRO-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029770
O=C(c1ccccc1)c1ccc2n1CC(C(=O)O)C2	CHEMBL9318,SCHEMBL18618258,PC-id_13487074	255.269	YDQIKIHQRWPTDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029771
O=C(c1ccccc1)c1ccn2c1[C@H](C(=O)O)CC2	PC-id_76967135,ZINC22_67665139	255.269	RIQZRCMKWYHMOR-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029772
O=C(c1ccccc1)c1ccn2c1[C@@H](C(=O)O)CC2	ZINC22_67665143,PC-id_76967136	255.269	RIQZRCMKWYHMOR-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029773
O=CC1CCn2c1ccc2C(=O)c1ccc(cc1)O	PC-id_23186920,SCHEMBL3284372	255.269	UEPJYJUHWHZCRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029774
OC(=O)C1Cc2c(C1)n(cc2)C(=O)c1ccccc1	PC-id_57841495,SCHEMBL8925307	255.269	ROHANJXGKZMFES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029775
OC(=O)[C@]1(CCn2c1ccc2)C(=O)c1ccccc1	SCHEMBL2538038,PC-id_67443697	255.269	OEBAEDODTUXAHA-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029776
OC(=O)C1(CCn2c1ccc2)C(=O)c1ccccc1	SCHEMBL7112375,PC-id_69992463	255.269	OEBAEDODTUXAHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029777
CC(C)(C)OC(=O)NC1Cc2c([nH]c(=O)n2C1)O	PC-id_91306024	255.27	XUNPDPCHXKMYCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029778
CC(C)(C)OC(=O)Nn1c(c2CCCn2c1=O)O	PC-id_90685667	255.27	IMXBADMRQAEADM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029779
O=C1Cc2c(C1)n(nc2C(=O)N)Cc1ccccc1	SCHEMBL5525718,PC-id_58713637	255.272	NLSUNDYVPXRKRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029780
O=C(c1ccccc1O)NN=C1CCn2c1ccc2	EMOLS-id_36627412,MCULE-9407452251,PC-id_72056975	255.272	SAMVOZFBFUCUBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029781
O=C(N/N=C
/CCn2c1ccc2)c1c(O)cccc1	PC-id_53536756	255.272	SAMVOZFBFUCUBE-PTNGSMBKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029782
c1(C(=O)NN=Cc2ccccn2)c2CCCc2[nH]n1	PC-id_5342683,MCULE-8996055363	255.275	CRRNSFWAIXRIMZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029783
c1(C(=O)NN=Cc2ccncc2)c2CCCc2[nH]n1	MCULE-1448132963,PC-id_5399706	255.275	VUHATRCEIIYUGE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029784
Cc1c(ccc(c1)N=c1c(=C)[nH]n2c1nc(n2)C)O	PC-id_136611087	255.275	XHDGIQVIULGGAE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-029785
Cc1c(ccc(c1)N=C1C(=Nn2c1nc(n2)C)C)O	PC-id_136089215	255.275	CABLTYZQVWTOSL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-029786
Cc1nn2c(n1)/C(=N/c1c(C)cccc1C)/C(=N2)O	SCHEMBL10041555	255.275	RZUYFIQJSGCKLN-PTNGSMBKSA-N	00000011100000110001000010000000000000000000000000000000	25-01-029787
C(=O)(c1c2CCCc2[nH]n1)NN=Cc1cccnc1	MCULE-3513123590,PC-id_3836727	255.275	WCMGGARTTFTLPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029788
N#Cc1ccc([nH]1)C(=O)NCc1cnc2n1CCC2	MCULE-5839048822,EMOLS-id_320108560	255.275	UVUBJCZYJFVYHF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-029789
N#Cc1ccc([nH]1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-7061354161,EMOLS-id_319975913	255.275	OMYXKAIDJWBCIC-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-029790
N#Cc1c[nH]c(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319465968	255.275	IJKKPIQKICJEGR-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-029791
N#Cc1[nH]cc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320080093,MCULE-7958182314	255.275	GFQCLFBVHZNSMW-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-029792
O=C1C(=Cc2nnn(c2)C2CCC2)Cn2c1ncc2	EMOLS-id_278685870	255.275	SCQFHVPTVRRVTJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-029793
O=C1Nn2nc(nc2C1=Nc1c(cccc1C)C)C	PC-id_57628159	255.275	RZUYFIQJSGCKLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029794
O=C(c1[nH]nc2c1CCC2)N/N=C/c1ccccn1	CoCoCo_695805,PC-id_5726107,CoCoCo_695808,CoCoCo_695806	255.275	CRRNSFWAIXRIMZ-OVCLIPMQSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029795
O=C(c1[nH]nc2c1CCC2)N/N=Cc1ccncc1	CoCoCo_695900,CoCoCo_695902	255.275	VUHATRCEIIYUGE-NVNXTCNLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029796
O=C(c1n[nH]c2c1CCC2)N/N=C/c1cccnc1	SPECS-id_AT-225/NB40683,PC-id_9638306	255.275	WCMGGARTTFTLPI-OVCLIPMQSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029797
O=C(N/N=Cc1ccccn1)c1n[nH]c2CCCc12	CoCoCo_695807,EMOLS-id_2103605	255.275	CRRNSFWAIXRIMZ-NVNXTCNLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029798
O=C(N/N=C/c1ccncc1)c1n[nH]c2CCCc12	EMOLS-id_626699,CoCoCo_695899,CoCoCo_695901,PC-id_6896976	255.275	VUHATRCEIIYUGE-OVCLIPMQSA-N	00000010100000101001000010000000000000000000000000000000	25-01-029799
c12CN(Cc1nn(CCF)c2)C(=O)OC(C)(C)C	EMOLS-id_324340834,MCULE-3640609889	255.289	PDEWXOGDLBXLHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029800
c12SCCn1c(c(C(=O)OC)c2C(=O)OC)C	PC-id_2821121,EMOLS-id_5815396,MCULE-2413400210,ChEMBL-DNDi_CHEMBL1736118	255.29	ZPNHXRCUMKUHTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029801
c1(c(c(c2CSCn12)C(=O)OC)C(=O)OC)C	ZINC22_149931,TIMTEC443668,PC-id_2821331,EMOLS-id_599827,MCULE-7734758766	255.29	SCRVMGJDGYRHEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029802
c1(C(=O)OCC)c(N)sc2CC(C(=O)O)Cc12	MCULE-9904073185,EMOLS-id_50379833,PC-id_102568741	255.29	WZKBNFLPROXZPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029803
c1(C(=O)OC)c(N)sc2CCC(C(=O)OC)c12	BAS-01538881,SPECS-id_AS-871/13835718,ChEMBL-DNDi_CHEMBL3057-0502,EMOLS-id_1341566,MCULE-4997071319,STOCK2S-60597,PC-id_2789721	255.29	CFCZBEUPNBGZRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029804
c1(NC(=O)OC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_1994017,TIMTEC110115,PC-id_2930923,ZINC22_4628690,CoCoCo_896073,MCULE-5419952554	255.29	CUNFILQRSXLLPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029805
CC1CCc2c1c(nn2Cc1ccccc1F)C#N	EMOLS-id_331020530,MCULE-9746723371	255.29	VKQFMEUQSXCVKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029806
CC1CCc2c1c(nn2Cc1cccc(F)c1)C#N	EMOLS-id_331018995,MCULE-4116174496	255.29	IEPABRBHKFJURS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029807
CC1CCc2c1c(nn2Cc1ccc(F)cc1)C#N	MCULE-8330825439,EMOLS-id_331022065	255.29	AYLHUBLNWYSECN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029808
CC1CCc2nn(Cc3ccccc3F)c(C#N)c12	EMOLS-id_331001276,MCULE-7808041090	255.29	DJPFTDVQHOUNOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029809
CC1CCc2nn(Cc3cccc(F)c3)c(C#N)c12	MCULE-6358044806,EMOLS-id_330999741	255.29	AFZYTCUSTWIPRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029810
CC1CCc2nn(Cc3ccc(F)cc3)c(C#N)c12	MCULE-9675392502,EMOLS-id_330998716	255.29	WNHIRMRPYMPUDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029811
C=CCS(=O)(=O)c1cn2c(c1)C(CC2)C(=O)O	SCHEMBL10818302,PC-id_70450725	255.29	REHJPURFSBNQEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029812
CCOC(=O)c1c(N)sc2c1C[C@H](C(=O)O)C2	PC-id_99996036,ZINC22_217900269	255.29	WZKBNFLPROXZPT-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029813
CCOC(=O)c1c(N)sc2c1C[C@@H](C(=O)O)C2	ZINC22_217900330,PC-id_99996039	255.29	WZKBNFLPROXZPT-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029814
CCOC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_37532217,PC-id_43145458	255.29	VJZJBRPOTAMJOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029815
COCCOCCN1C(=O)c2c(C1=O)csc2	PC-id_102221471	255.29	VZYLQLGQYOYQBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029816
COCC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_37220108,PC-id_28860298	255.29	ROPIFXYNEZAHRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029817
COC(=O)C1Cc2sc(N)c(C(=O)OC)c2C1	EMOLS-id_337791912	255.29	LWWURFHNFQDBGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029818
COC(=O)c1c(N)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_5020421,PC-id_7081812,ZINC22_4039373	255.29	CFCZBEUPNBGZRK-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029819
COC(=O)c1c(N)sc2c1[C@H](C(=O)OC)CC2	ZINC22_4039374,CoCoCo_5020420,PC-id_7081811	255.29	CFCZBEUPNBGZRK-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029820
OCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_43184244,EMOLS-id_37378448	255.29	VIZVFQFWIHPTOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029821
OC[C@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_28150643,EMOLS-id_314375173	255.29	VIZVFQFWIHPTOK-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029822
OC[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_28150646,EMOLS-id_38093979	255.29	VIZVFQFWIHPTOK-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029823
OC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_66165810,EMOLS-id_41746821	255.29	CDCMLLBNZYKPAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029824
O[C@H](C(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_107832924	255.29	CDCMLLBNZYKPAP-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029825
S1C(n2c(C1)c(c(c2)C(=O)OC)C(=O)OC)C	PC-id_11334305	255.29	VGWZJFVWCBYFIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029826
S1(=O)(=O)c2c(n(c(c2)C(=O)OCC)C)C=C1C	PC-id_53342462	255.29	ZTXHCNRPTSMDAM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-029827
s1c2c(C(=O)C(=C2)NC(=O)c2ccccc2)cc1	PC-id_71366257	255.292	LFQATTVFVJUICO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-029828
c1(NC(=O)NN)sc2c(CCC2)c1C(=O)OC	PC-id_8071861,EMOLS-id_4748745,MCULE-9698860066,STOCK6S-16025	255.294	ZIERNGXMGMNNJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029829
CC(C(=O)N)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_104287931	255.294	ZLTJNMIHOYXCEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029830
CNC(=O)CNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_314892567,PC-id_104287857	255.294	QXRAKIJWFYMDSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029831
s1c2C(CC(OC)(OC)c2cc1)CC(=O)OC	PC-id_21770069	256.318	XPYXLQXPNNNUEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030265
COC(=O)NCC(=O)Nc1nc2c(s1)CCC2	MCULE-9542396760,EMOLS-id_48216504,PC-id_47266797,ZINC22_48318521	255.294	RGQNNDMJTAORGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029832
NC(=O)CCNc1sc2c(n1)C(CC2)C(=O)O	PC-id_104287925,EMOLS-id_315822561	255.294	CDBQSTUJNOIBFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029833
O=C(C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057281	255.294	HIIAUSBAQOZEGS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029834
OC(=O)CC(C(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_40839306,PC-id_64895169	255.294	VFLCBMTUBXPYON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029835
s1c2CCCc2nc1NC(=O)NCCC(=O)O	PC-id_54963301	255.294	IAJVBRRNMDDHSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029836
s1c2CCCc2nc1NC(=O)NC(C)C(=O)O	PC-id_54963303	255.294	ARRUYOOGCWDBBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029837
s1c2CCCc2nc1NC(=O)N(CC(=O)O)C	PC-id_54963253	255.294	XKMPYDOTONDTRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029838
s1c2CCCc2nc1NC(=O)N[C@@H](C)C(=O)O	PC-id_54963401	255.294	ARRUYOOGCWDBBZ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029839
s1c2CCCc2nc1NC(=O)N[C@H](C)C(=O)O	PC-id_78972014	255.294	ARRUYOOGCWDBBZ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029840
n12ncnc1sc(=CC=Cc1ccccc1)c2=O	MCULE-1760065553,EMOLS-id_26207773	255.295	LWGBYDNRZUTHCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-029841
O=c1/c(=CC=Cc2ccccc2)/sc2n1ncn2	STOCK5S-91143,EMOLS-id_29918419,ZINC22_5347687	255.295	LWGBYDNRZUTHCM-VCABWLAWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-029842
O=c1/c(=C/C=Cc2ccccc2)/sc2ncnn12	CHEMBL389984	255.295	LWGBYDNRZUTHCM-XGBXBTFKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-029843
O=c1/c(=C/C=C/c2ccccc2)/sc2ncnn12	ZINC22_13149284,EMOLS-id_46500982	255.295	LWGBYDNRZUTHCM-KXBBGWRGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-029844
N#CCCN(S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_320212182,MCULE-2512737959	255.297	DMTZIKSKRYBIIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029845
CC1CC(c2n1ccn2)NC1CCC(CC1)(F)F	EMOLS-id_102834290	255.307	IEMQPJVFQFLULO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-029846
c1(C(=O)NC2CC2)c2CSCc2nn1CCF	MCULE-1769684437,EMOLS-id_324402256	255.312	MXGSFEOKDJYUJK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029847
Cc1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)O	PC-id_59180181,SCHEMBL1005398	255.312	DCNHFFLDGFUVJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029848
CC(=O)C1Cn2c(C1)ccc2C(=O)C1=CCCC=C1	PC-id_144587750	255.312	NOGUHCGWSVNBKZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-029849
COC(=O)c1cc2c(n1Cc1ccccc1)CCC2	PC-id_141214822	255.312	MNXCKUXUBKAHRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029850
COC(=O)c1cc2c([nH]1)CCC2Cc1ccccc1	SCHEMBL1004824,PC-id_59180191	255.312	DBXXMIZCPZKKKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029851
COC(=O)c1[nH]c2c(c1)CC(C2)Cc1ccccc1	SCHEMBL1004567,PC-id_59180046	255.312	OCGNXFRWODQNES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029852
OCCc1ccc(cc1)C(=O)c1ccc2n1CCC2	PC-id_144985215	255.312	HSOZYUDUXGISSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029853
OC(=O)c1c2c(n(c1C)Cc1ccccc1)CCC2	PC-id_28473939	255.312	BYRONSRHOOQQEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029854
OC(=O)c1cc2c([nH]1)CCC2CCc1ccccc1	PC-id_59180084,SCHEMBL1004485	255.312	ZVHIZQUXCNPSKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029855
OC(=O)c1cc2c([nH]1)C(CC2)CCc1ccccc1	SCHEMBL1005498,PC-id_44125250	255.312	AFVWKWQPQNOFER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029856
OC(=O)c1cc2c([nH]1)CC[C@@H]2CCc1ccccc1	SCHEMBL12777457,PC-id_57659930	255.312	ZVHIZQUXCNPSKO-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029857
OC(=O)c1cc2c([nH]1)[C@@H](CC2)CCc1ccccc1	PC-id_57659913,SCHEMBL12777447	255.312	AFVWKWQPQNOFER-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029858
OC(=O)c1[nH]c2c(c1)CC(C2)CCc1ccccc1	SCHEMBL8162461,PC-id_70291774	255.312	VURHRQKBYQDKCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029859
OC(=O)c1[nH]c2c(c1)C[C@H](C2)CCc1ccccc1	SCHEMBL12777446,PC-id_57659851	255.312	VURHRQKBYQDKCG-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029860
O(C(=O)c1[nH]c2c(CCC2)c1C)Cc1ccccc1	PC-id_10445085	255.312	CAZIBIOVZLOPRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029861
OC(=O)Cc1n(c2c(CCC2)c1)Cc1ccccc1	PC-id_10015233	255.312	YVNOUWRXKNRSFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029862
c1(c2CCCc2[nH]n1)C(=O)N(CC)c1ccccc1	PC-id_110388891,EMOLS-id_179744739,MCULE-7001824709	255.315	VOEPSSVJTGIHQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029863
c1(cn2c(CCC2)n1)C(=O)Nc1c(C)cccc1C	MCULE-9042428084,EMOLS-id_321294553	255.315	FLDLUJGZIGHSHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029864
c1(cn2c(CCC2)n1)C(=O)N(C)Cc1ccccc1	EMOLS-id_321296084,MCULE-8645055776	255.315	ZIZKBQZAHDKGCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029865
c1(cn2c(CCC2)n1)C(=O)N(CC)c1ccccc1	MCULE-9778841728,EMOLS-id_321295577	255.315	OPKDQLRODDONCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029866
c1(C(=O)Nc2ccccc2C)c2CCCc2n(C)n1	EMOLS-id_179745256,PC-id_110389064,MCULE-6156183568	255.315	UTMAZOYBOSPHQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029867
c1(C(=O)Nc2ccc(cc2)C)c2CCCc2n(C)n1	MCULE-6338119242,PC-id_110389066,EMOLS-id_179745262	255.315	STTWWTHKSHKPBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029868
c1(C(=O)Nc2ccccc2CC)c2CCCc2[nH]n1	EMOLS-id_179744733,MCULE-6518328484,PC-id_110388889	255.315	INUNKCLGNOADQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029869
c1(C(=O)Nc2ccc(cc2)CC)c2CCCc2[nH]n1	EMOLS-id_179744736,PC-id_110388890,MCULE-4834540092	255.315	GMBUGGMIJXEAQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029870
c1(C(=O)Nc2ccc(cc2C)C)c2CCCc2[nH]n1	MCULE-1194255082,EMOLS-id_179744715,PC-id_110388883	255.315	MEDBUKQILFNJRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029871
c1(C(=O)Nc2ccc(cc2C)C)cn2c(CCC2)n1	EMOLS-id_321297624,MCULE-5349366613	255.315	LARFZZANAFQYLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029872
c1(C(=O)Nc2ccccc2CC)cn2c(CCC2)n1	MCULE-6110477404,EMOLS-id_321295065	255.315	XXOOIYVJDNVNKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029873
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2)n1	MCULE-4717934439,EMOLS-id_331038467	255.315	GNUWTNQNEGKWOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029874
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1	EMOLS-id_331016381,MCULE-8740840251	255.315	VAKSLUAKYAIJEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029875
c1(C(=O)Nc2cccc(C)c2)c2CCCc2n(C)n1	MCULE-4479680258,PC-id_110389065,EMOLS-id_179745259	255.315	JZJSVSRMZUJMJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029876
C[Si](C1C=Cc2c1scc2)(c1ccccc1)C	PC-id_140010840	256.438	SGRUQUURGHLTOV-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-030425
c1(C(=O)Nc2ccc(c(C)c2)C)c2CCCc2[nH]n1	EMOLS-id_179744721,PC-id_110388885,MCULE-2447465164	255.315	LJEAPJZOGOADPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029877
c1(C(=O)Nc2c(C)cccc2C)c2CCCc2[nH]n1	EMOLS-id_179744727,PC-id_110388887,MCULE-7068854824	255.315	SZHMVONUNLCMNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029878
c1(C(=O)Nc2cc(C)ccc2C)c2CCCc2[nH]n1	PC-id_110388884,EMOLS-id_179744718,MCULE-3033216850	255.315	IVWFLTJAHSEBQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029879
c1(C(=O)Nc2cccc(C)c2C)c2CCCc2[nH]n1	PC-id_110388888,EMOLS-id_179744730,MCULE-8573733701	255.315	CLCPQDDYDDBFRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029880
c1(C(=O)Nc2ccc(c(C)c2)C)cn2c(CCC2)n1	EMOLS-id_321298136,MCULE-6466374342	255.315	ZUKZWPFBXOMWDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029881
c1(C(=O)Nc2cccc(C)c2C)cn2c(CCC2)n1	MCULE-5647780896,EMOLS-id_321294809	255.315	ICISAVKEHULOBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029882
c1(C(=O)Nc2cc(C)ccc2C)cn2c(CCC2)n1	MCULE-7895839165,EMOLS-id_321297880	255.315	RXPPRRLRKQJABD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029883
c1(C(=O)Nc2cc(C)cc(C)c2)c2CCCc2[nH]n1	EMOLS-id_179744724,MCULE-5683182044,PC-id_110388886	255.315	WAQWTNFJVPNQRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029884
c1(C(=O)Nc2cccc(CC)c2)c2CCCc2[nH]n1	MCULE-7688233499,EMOLS-id_323258294	255.315	IIQQSWIAGGFNQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029885
c1(C(=O)Nc2cc(C)cc(C)c2)cn2c(CCC2)n1	MCULE-4161769112,EMOLS-id_321298392	255.315	YHWUGCLTCKVZHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029886
c1(C(=O)Nc2ccc(CC)cc2)cn2c(CCC2)n1	MCULE-5200600211,EMOLS-id_321295321	255.315	QXIDNVTVZXCBQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029887
c1(C(=O)NCc2ccccc2)c2CCCc2n(C)n1	EMOLS-id_179745055,MCULE-4805063735,PC-id_110388997	255.315	LRJAIQSKVYBJQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029888
c1(C(=O)N(C)c2ccccc2)c2CCCc2n(C)n1	PC-id_110389067,EMOLS-id_179745265,MCULE-8127379278	255.315	OPSPAKHOZPDALP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029889
c1(C(=O)NCc2ccccc2C)c2CCCc2[nH]n1	MCULE-1287964323,PC-id_110388821,EMOLS-id_179744538	255.315	CIMVITHBXKXNLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029890
c1(C(=O)NCc2ccc(cc2)C)c2CCCc2[nH]n1	MCULE-7330822988,EMOLS-id_179744544,PC-id_110388823	255.315	TYYICRKXLUPWRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029891
c1(C(=O)NCc2ccccc2C)cn2c(CCC2)n1	EMOLS-id_321295060,MCULE-3184538877	255.315	GXDYZGBCYAHLEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029892
c1(C(=O)NCc2ccc(cc2)C)cn2c(CCC2)n1	MCULE-9599685075,EMOLS-id_321295572	255.315	LKGDNCSAGOZYET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029893
c1(C(=O)NCc2cccc(C)c2)c2CCCc2[nH]n1	EMOLS-id_179744541,PC-id_110388822,MCULE-1905715310	255.315	HSVSBFWEMASPGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029894
c1(C(=O)NCc2cccc(C)c2)cn2c(CCC2)n1	MCULE-5801014658,EMOLS-id_321295316	255.315	MHVNLNAFVCKNHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029895
c1(C(=O)NCCc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_179744586,MCULE-1629154668,PC-id_110388837	255.315	TVMOKKGTTBSBAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029896
c1(C(=O)NC(C)c2ccccc2)c2CCCc2[nH]n1	MCULE-3910553535,PC-id_110388824,EMOLS-id_179744547	255.315	GDNIYSHAIGXHFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029897
c1(C(=O)N(C)Cc2ccccc2)c2CCCc2[nH]n1	MCULE-7289851580,PC-id_110388825,EMOLS-id_179744550	255.315	MKRXBVOMBJYCCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029898
c1(C(=O)NC(C)c2ccccc2)cn2c(CCC2)n1	MCULE-4307711399,EMOLS-id_321295828	255.315	KYESWLWKXFXFAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029899
c1(C(=O)NCCc2ccccc2)cn2c(CCC2)n1	MCULE-4664839071,EMOLS-id_321295061	255.315	JMDNPWRCGIOPNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029900
c1(NC(=O)Cc2ccccc2)n(C)nc2CCCc12	ZINC22_38510608,PC-id_45536319,MCULE-3955700316,EMOLS-id_43484291	255.315	HLZXRJAEKNMBRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029901
Cc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319260241	255.315	RTAVWDJJHLTKEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029902
Cc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318770051	255.315	OJMJQKRDCBIXAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029903
Cc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319762672	255.315	WYVUPCNHIOEGLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029904
Cc1ccc(C)c(C(=O)N=c2cc3n([nH]2)CCC3)c1	ZINC22_1857527533,EMOLS-id_324066415,MCULE-6155280081,PC-id_146105922	255.315	GQBIDHBJYSAWAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029905
Cc1cccc(CC(=O)N[C@@H]2CCn3ccnc23)c1	ZINC22_1526723410	255.315	VVNFARVFSYRGES-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029906
Cc1cccc(CC(=O)N[C@H]2CCn3ccnc23)c1	ZINC22_1526723414	255.315	VVNFARVFSYRGES-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029907
Cc1cccc(C(=O)N[C@@H]2CCn3ccnc23)c1C	ZINC22_1544081830	255.315	FZHVGAVBIADPLU-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029908
Cc1cccc(C(=O)N[C@H]2CCn3ccnc23)c1C	ZINC22_1544081831	255.315	FZHVGAVBIADPLU-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029909
CCO/C(=C/C(=C)C#N)/C(=C)C1CCc2n1cnc2	PC-id_143417128	255.315	JDLWLSAPDDSHCY-VIZOYTHASA-N	00000010100000000001000010000000000000000000000000000000	25-01-029910
O=C1N(c2n(C1C)c(c(n2)C)C)Cc1ccccc1	PC-id_10858064	255.315	MPAVXDPGWQSRDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029911
O=C(c1cccc(c1C)C)NC1CCn2c1ncc2	MCULE-3971253840,EMOLS-id_316902248	255.315	FZHVGAVBIADPLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029912
O=C(c1ccccc1C)NCc1cnc2n1CCC2	EMOLS-id_320254276,MCULE-6114874892	255.315	ZUJSXIUVJUWCFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029913
O=C(c1ccccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319180463	255.315	HLCBZZHBHKLWHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029914
O=C(N1Cc2c(C1)c(n[nH]2)C(C)C)c1ccccc1	PC-id_118489373,SCHEMBL17229856	255.315	UAAPCTOBLZQQQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029915
O=C(NC1CCn2c1ncc2)Cc1cccc(c1)C	MCULE-4278109275,EMOLS-id_316900712	255.315	VVNFARVFSYRGES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029916
O=C(Nc1n(nc2c1CCC2)C)c1ccc(cc1)C	PC-id_45536259	255.315	JIIHDBLTSCFASN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029917
O=C(Nc1n(nc2c1CCC2)C)c1cc(ccc1)C	PC-id_45536260	255.315	INRDKSBPKTZPPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029918
O=C(Nc1n[nH]c2CCCc12)CCc1ccccc1	PC-id_9856416	255.315	YZPMYTDOGJYYPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029919
O=C(NCc1ccccc1)c1n(nc2c1CCC2)C	PC-id_14536010	255.315	SBDVQLULJVZEIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029920
ON=C1C(Cn2c1ccc2)CNc1ccc(cc1)C	PC-id_24097026	255.315	WDYKSRKESUHTBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029921
O/N=C/1C(Cn2c1ccc2)CNc1ccc(cc1)C	PC-id_56692608	255.315	WDYKSRKESUHTBM-BMRADRMJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029922
O/N=C
/C(CNc2ccc(cc2)C)Cn2c1ccc2	TIMTEC369011	255.315	WDYKSRKESUHTBM-ICFOKQHNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029923
CC1CC(c2n1ncn2)Nc1cccc(n1)C1CC1	EMOLS-id_319361573	255.318	RPDCFOAPBXBLPB-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-029924
CC1CC(c2n1ncn2)Nc1nccc(c1)C1CC1	EMOLS-id_279086515	255.318	VOKMLSGUBVDGJC-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-029925
c12c(CO)csc1CN(C(=O)OC(C)(C)C)C2	EMOLS-id_331063586,MCULE-7438513023	255.333	MMMAYPJHAPUKSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029926
CCC(c1nc2c(s1)CCC2C(=O)O)(OC)C	PC-id_116744622	255.333	MFQMVVBTSYMKBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029927
CCCC(c1nc2c(s1)CCC2C(=O)O)OC	PC-id_116705347	255.333	QHFPLEKNERVDPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029928
CC(CNC(=O)c1c(c2c(s1)CCC2)OC)O	PC-id_91956554	255.333	HEZNCJNUYZVYDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029929
CCOCc1nc2c(s1)CCC2C(=O)OCC	PC-id_104287111	255.333	CKQSMKJFACOIFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029930
CCOC(c1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_116705344	255.333	OBVZZSJTGLDVIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029931
CCOC(c1nc2c(s1)CCC2C(=O)O)CC	PC-id_116705348	255.333	QZVQDGOHBURYGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029932
CCOC(=O)C1CCc2c1nc(s2)C(OC)C	PC-id_104287158	255.333	IEGATYFEDYHQIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029933
CN(CCO)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956570	255.333	YSGAJENDPJEWRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029934
COc1c(sc2c1CCC2)C(=O)NCCCO	PC-id_91956540	255.333	TYRYRKKAKVMWNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029935
COC(c1nc2c(s1)CCC2C(=O)O)C(C)C	PC-id_116705352	255.333	AFSRFBBRDAFYDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029936
COCCc1nc2c(s1)CCC2C(=O)OCC	PC-id_104287120	255.333	CPANPVPVLSYIIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029937
COCC(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_64284854,EMOLS-id_40411457	255.333	UCBYDRGSQQAPPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029938
COCC(C(=O)O)NCc1sc2c(c1)CCC2	PC-id_103242927	255.333	BTMMUAFZQLWTAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029939
COCCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956536	255.333	OZBUHNZIPDSBBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029940
COCC(NC(=O)c1sc2c(c1)CCC2)CO	PC-id_114079011	255.333	MCEARMOOJYYRRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029941
COC(CNC(=O)c1sc2c(c1)CCC2)OC	PC-id_60653042,EMOLS-id_37229926	255.333	WWOYDLKYSBKAIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029942
COC(=O)c1c(N)sc2c1C(C)(C)OC2(C)C	PC-id_79918041,EMOLS-id_314366665	255.333	HSWXAZWMJDAUHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029943
OCC(CNC(=O)c1sc2c(c1)CCC2)(O)C	PC-id_66168601,EMOLS-id_41759447	255.333	ODBVVJOLQZJMDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029944
OCC(NC(=O)c1sc2c(c1)CCC2)(CO)C	EMOLS-id_314502657,PC-id_81964120	255.333	AVAFGKVJWNZVLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029945
OCCOCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_37232560,PC-id_60654656	255.333	MFKZOOIMEFFIEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029946
O=C(OC(C)(C)C)Nc1csc2c1C(C)OC2	PC-id_114749424,EMOLS-id_114825147	255.333	VSVZLMHDYCKLMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029947
OC(=O)CCCn1c(=O)sc2c1C(C)(C)CC2	EMOLS-id_42569295,PC-id_79856548	255.333	MKHAOKQAUDTHJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029948
OC(=O)CC(CNCc1sc2c(c1)CCC2)O	PC-id_103242963	255.333	NJKOUJUPPODPRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029949
OC(=O)C(CNCc1sc2c(c1)CCC2)(O)C	EMOLS-id_314348100,PC-id_104644110	255.333	QDQMWZDPSCALKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029950
s1c2CCCc2cc1C(=O)N(CCO)CCO	PC-id_60653770	255.333	RXGHEKBAJWNBAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-029951
s1c2C(OC(c2nc1CC(=O)OC)(C)C)(C)C	PC-id_79917265	255.333	RUKKLTNPCVGRAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029952
s1c2C(OC(c2nc1C(=O)OCC)(C)C)(C)C	PC-id_79917634	255.333	NIBYMIWCBUEDBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029953
C1CCn2c1[n+](cc2C)CC(=O)c1ccc(C)cc1	ZINC22_28047833,MCULE-4856497146,PC-id_20994627,CoCoCo_6415121,GD-id_ZINC28047833	255.335	XXEAIAFANMEWBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029954
c12CN(Cc1sc(N)n2)C(CCCC)C(=O)O	PC-id_82194363,MCULE-9467584564	255.337	GORWWOQVKBWZJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029955
Cc1c2CN(Cc2nn1S(=O)(=O)C1(CC1)C)C	SCHEMBL15161212,PC-id_89729903	255.337	YFKANUCLVQRYEE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029956
CC1(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100206607	255.337	REBRXUIOOGHDNS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029957
CC1CC(C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242805	255.337	XUIZHTRLHDAYHF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-029958
CC1N(Cc2sc(N)nc12)C(=O)OC(C)(C)C	MCULE-2313981961,PC-id_118989956,EMOLS-id_64087245	255.337	QJQFVRHJBHDEAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029959
CCC1CCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100596829	255.337	IEXMQXYDDFSOKO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-029960
CCC1CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101791217	255.337	WVQYMNCEPSPWTO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-029961
CCCCNC(=O)NSc1c2CCCc2no1	PC-id_87913581,SCHEMBL5929513	255.337	SWVHVWJGWAZULQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029962
CC(C)(C)OC(=O)N1Cc2nc(CN)sc2C1	EMOLS-id_323997103	255.337	QYAFGUGNPLFMAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029963
CC(C)(C)OC(=O)NC1Cc2nc(N)sc2C1	MCULE-3950856092,EMOLS-id_176930773	255.337	FBGFJGAHHNHMQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029964
CC(C)(C)OC(=O)NCc1nc2CNCc2s1	EMOLS-id_323997615	255.337	LZUWDROIDOWVOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029965
CC(=C)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319926665,MCULE-7244978442	255.337	KMDBNRQFZMLNSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029966
CC[C@@H]1C[C@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100927839	255.337	WSEXYDQJOQJRNA-RKDXNWHRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029967
CCN(S(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100173863	255.337	NEVMNMTZQAHDEN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-029968
CCOC(=O)C1CCc2c1nc(s2)NN(C)C	PC-id_104289210	255.337	WMKBNVSSSYVHEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029969
CN(CCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287465,EMOLS-id_315077245	255.337	ZLPSMDYOWJDUMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029970
CN(S(=O)(=O)c1cnc2n1CCC2)C1CCC1	EMOLS-id_100225924	255.337	HONXMUZPUAHPIY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-029971
COCCC(C(=O)Nc1sc2c(n1)CCC2)N	PC-id_62476109,EMOLS-id_39097277	255.337	YEKKWRDANMSAEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029972
COCCNCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_42153988,PC-id_79282682	255.337	QHZQCZYVYFXUDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029973
CSc1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380078,PC-id_118613823	255.337	XBOCZCNDUNHHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029974
NCC(CC(=O)Nc1sc2c(n1)CCC2)OC	PC-id_103155660	255.337	BQGJYNOSBXOZNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029975
O=CCCCn1nc2c(c1N(C)C)CS(=O)C2	SCHEMBL19658749	255.337	XZZPDSXNUBMCGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029976
O=C(N1Cc2c(C1)c(n(n2)S)C)OC(C)(C)C	SCHEMBL6891729,PC-id_69929892	255.337	BLWMDRBVVDIKQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029977
O=C(N1Cc2c([C@@H]1C)nc(s2)N)OC(C)(C)C	SCHEMBL16224796,PC-id_117688952	255.337	QJQFVRHJBHDEAF-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-029978
O=C(N(C)C)Oc1c2CSCc2nn1C(C)C	SCHEMBL11229047,PC-id_12766052	255.337	GTBHVKWXGPFYND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029979
O=S(=O)(c1cnc2n1CCC2)NC1CCCC1	EMOLS-id_100184412	255.337	NVSZOPFMRLXKLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029980
O=S(=O)(c1cnc2n1CCC2)NCC1CCC1	EMOLS-id_100173947	255.337	JHLAHHBVHURQMT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-029981
c1(C(N)c2ccc(cc2)C#N)sc2c(CCC2)n1	MCULE-4425927933,PC-id_83315517	255.338	DDXKEVNKGSLQHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029982
c1(C(N)c2cccc(c2)C#N)sc2c(CCC2)n1	PC-id_83315516,MCULE-5218074714	255.338	XSRLAXSVVMQSSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029983
c1(C#N)c(N)sc2CN(Cc3ccccc3)Cc12	PC-id_71777883,MCULE-3604753726,ZINC22_90397484,EMOLS-id_45814555	255.338	IANLNXOPGMYAJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-029984
N#Cc1cccc(c1Nc1sc2c(n1)CCC2)C	PC-id_107106654	255.338	CWMLVJCLOGBGKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029985
N#Cc1cc(C)ccc1Nc1sc2c(n1)CCC2	PC-id_114016827	255.338	LBSMSOMQTNMPKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029986
N#Cc1cccc(n1)NCc1sc2c(c1)CCC2	PC-id_64458158,EMOLS-id_314273941	255.338	AGRQQVYGYLGPNP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029987
N#Cc1ccc(cn1)NCc1sc2c(c1)CCC2	PC-id_79838656,EMOLS-id_314751647	255.338	XARFTCNZHKGEJX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029988
N#Cc1cccnc1NCc1sc2c(c1)CCC2	EMOLS-id_314101445,PC-id_61208574	255.338	QITSGXKSONECAB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029989
N#Cc1ccc(nc1)NCc1sc2c(c1)CCC2	PC-id_61208386,EMOLS-id_314853288	255.338	WITNRSXAVDOAOL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029990
N#Cc1ccncc1NCc1sc2c(c1)CCC2	EMOLS-id_315625542,PC-id_81749788	255.338	NHUOLEXWESXTIR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029991
N#Cc1ccnc(c1)NCc1sc2c(c1)CCC2	PC-id_61208578,EMOLS-id_314559535	255.338	AHLWNEPFHZGJBF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029992
N#Cc1nccc(c1)NCc1sc2c(c1)CCC2	EMOLS-id_314238805,PC-id_62925874	255.338	VMPATBMCGYPCKM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029993
N#Cc1ncccc1NCc1sc2c(c1)CCC2	EMOLS-id_315626505,PC-id_81602972	255.338	XTDURPQFTSVIDK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-029994
s1c2CCCc2nc1C(N)c1c(cccc1)C#N	PC-id_83315518	255.338	YBGSCJPDWFUKFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029995
s1c2CCCc2nc1Nc1c(cc(cc1)C#N)C	PC-id_54963699	255.338	ICZWNSSUAXWYLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029996
s1c2CCCc2nc1Nc1cc(ccc1C#N)C	PC-id_62302134	255.338	KJAGYCCHOHFVEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029997
s1c2CCCc2nc1Nc1cc(c(cc1)C#N)C	PC-id_81282488	255.338	NIKGPBJSMPVGMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-029998
S(c1c2n(c(S)c1C#N)C(=S)NC2=O)C	PC-id_10945014	255.34	LRSFWLLESYNBMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-029999
C/C=CC(=C/C=C)CCC1CCc2c1cc([nH]2)C=O	PC-id_143725805	255.355	IMWNINIKDABCIU-GLRUQPRCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030000
o1c2c(CCC2)c(c1C(C)C)C(N)c1ccccc1	PC-id_83610294	255.355	HPTGGVDKXIGASY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030001
o1c2c(CCC2)c(c1CCC)C(N)c1ccccc1	PC-id_83610366	255.355	ZZPVEWNIEFZNLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030002
o1c2c(CCC2)c(C(N)c2ccc(cc2)C)c1CC	PC-id_83610217	255.355	YRFQSYNLQUWNSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030003
o1c2c(CCC2)c(C(N)c2ccc(cc2)CC)c1C	PC-id_83610138	255.355	RCEBFCPJBBCBBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030004
o1c2c(CCC2)c(C(N)c2c(cc(cc2)C)C)c1C	PC-id_83610140	255.355	GZFGYCQFDDXQDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030005
o1c2c(CCC2)c(C(N)c2cc(c(cc2)C)C)c1C	PC-id_83610141	255.355	WDKVRJXDSMLRJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030006
o1c2c(CCC2)c(C(N)c2c(ccc(c2)C)C)c1C	PC-id_83610142	255.355	PZKLHSBIDBHOQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030007
OC(C1(CCc2n(ccc12)Cc1ccccc1)C)C	PC-id_10978045	255.355	FPJNCCCWBDDFKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030008
OCCCc1n(c2c(CCC2)c1)Cc1ccccc1	PC-id_53387452	255.355	XLMNNKPACFBGLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030009
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)CC	MCULE-4023508194,EMOLS-id_330961139	255.358	ZHLXSRXDPTUYRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030010
c12CN(Cc1nn(C(C)(C)C)c2)Cc1ccccc1	MCULE-1110815114,EMOLS-id_324339043	255.358	GZCVASPIIBNTIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030011
c1(CN(C)Cc2ccccc2)c2CCCc2nn1C	MCULE-2186109989,ZINC22_891390619,EMOLS-id_330434926	255.358	OOHKHPNTZNWXMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030012
CC1CCc2c1c(CN)nn2Cc1ccccc1C	EMOLS-id_331014643,MCULE-5360197018	255.358	LFXSIAQGOHXOAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030013
CC1CCc2c1c(CN)nn2Cc1ccc(C)cc1	EMOLS-id_331010299,MCULE-3582134834	255.358	ANAWYRPDNOTHQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030014
CC1CCc2c1c(CN)nn2Cc1cccc(C)c1	EMOLS-id_331014388,MCULE-2736459530	255.358	XMOUWAYZPHLYTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030015
CC1CCc2c1c(N)nn2Cc1cccc(C)c1C	EMOLS-id_330961147,MCULE-3351810559	255.358	RGJSPYKMMWIHCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030016
CC1CCc2c1c(N)nn2Cc1ccc(C)cc1C	EMOLS-id_330962419,MCULE-1034460819	255.358	LNNAVSVHPFJHHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030017
CC1CCc2c1c(N)nn2Cc1c(C)cccc1C	EMOLS-id_330964986,MCULE-7098678304	255.358	DLRSAJKXTHOJJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030018
CC1CCc2c1c(N)nn2Cc1cc(C)ccc1C	MCULE-5578153936,EMOLS-id_330964730	255.358	JZXHFHPRVQOFHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030019
CC1CCc2c1c(N)nn2Cc1ccc(C)c(C)c1	EMOLS-id_330964978,MCULE-8927709022	255.358	VISVVODRBMPCNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030020
CC1CCc2c1c(N)nn2Cc1cc(C)cc(C)c1	MCULE-9879081663,EMOLS-id_330964475	255.358	NYMJNXLSWBOJRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030021
CC1CCc2nn(Cc3ccccc3C)c(CN)c12	MCULE-3845950561,EMOLS-id_330996413	255.358	MCLHHOZFQJZKGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030022
CC1CCc2nn(Cc3ccc(C)cc3)c(CN)c12	EMOLS-id_330996149,MCULE-1544219942	255.358	JXNNNAJQJPQFRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030023
CC1CCc2nn(Cc3cccc(C)c3)c(CN)c12	EMOLS-id_330996158,MCULE-2159053982	255.358	KVJHNYLRPVUGSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030024
CC1CCc2nn(Cc3cccc(C)c3C)c(N)c12	EMOLS-id_331010216,MCULE-8712205866	255.358	KBODQDNHHUQIMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030025
CC1CCc2nn(Cc3cc(C)ccc3C)c(N)c12	MCULE-1921856439,EMOLS-id_331013799	255.358	MAGIJJKBAHLOMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030026
CC1CCc2nn(Cc3ccc(C)cc3C)c(N)c12	MCULE-2634967494,EMOLS-id_331011488	255.358	RXFRJEAYOSQVJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030027
CC1CCc2nn(Cc3c(C)cccc3C)c(N)c12	MCULE-8597390617,EMOLS-id_331014055	255.358	ISILPQGDZBZRLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030028
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(N)c12	EMOLS-id_331009967,MCULE-8815876184	255.358	DWLVJMDKUQZLHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030029
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(N)c12	MCULE-2908461422,EMOLS-id_331013544	255.358	XAMHQIVTZNGLDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030030
CCC1CCc2c1nc([nH]2)[C@@H](Cc1ccccc1)N	PC-id_102970643	255.358	AMPKSEVUOPZHAD-ZGTCLIOFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030031
CCC1CCc2c1nc([nH]2)[C@H](Cc1ccccc1)N	PC-id_107863818	255.358	AMPKSEVUOPZHAD-ABLWVSNPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030032
CC(c1ccccc1C)n1nc2CCC(C)c2c1N	MCULE-1297174560,EMOLS-id_331012013	255.358	TUAOVPGUSYTWGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030033
CCc1ccccc1Cn1nc2CCC(C)c2c1N	MCULE-1985967997,EMOLS-id_331010472	255.358	NPEOMSXGNOIDBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030034
CCc1ccccc1Cn1nc(N)c2C(C)CCc12	EMOLS-id_330961403,MCULE-9070095734	255.358	WBDDASLIDZSOQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030035
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1N	EMOLS-id_331011497,MCULE-4049408686	255.358	LWJPXDZURPSACG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030036
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1N	MCULE-6275926797,EMOLS-id_331010220	255.358	JLDTZAPYFXZGRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030037
CCc1cccc(Cn2nc3CCC(C)c3c2N)c1	MCULE-7132891989,EMOLS-id_331013800	255.358	FZOIOTBWDZYWBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030038
CCc1cccc(Cn2nc(N)c3C(C)CCc23)c1	EMOLS-id_330964731,MCULE-9020788494	255.358	IIJJWCZYIDWSDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030039
CCc1ccc(Cn2nc3CCC(C)c3c2N)cc1	EMOLS-id_331010208,MCULE-2099057772	255.358	UEBHRKREHIDRFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030040
CC(c1nn2c(c1)CCC2)NCc1ccccc1C	EMOLS-id_318285177	255.358	TUGZXZMUGCHIQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030041
CCC(c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_317954138	255.358	XOUDFYIECHBFKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030042
CCCCc1nnc2CC(Cc3ccccc3)Cn12	PC-id_139598509,EMOLS-id_323940737,MCULE-3370616418	255.358	FBFUDVMZIKRXSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030043
CCCCc1nnc2n1C[C@@H](Cc1ccccc1)C2	ZINC22_1800411086	255.358	FBFUDVMZIKRXSL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030044
CCCCc1nnc2n1C[C@H](Cc1ccccc1)C2	ZINC22_1800411087	255.358	FBFUDVMZIKRXSL-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030045
n1(c(c2C(CC(c2c1C)(C)C#N)(C)C)C)CCC#N	SCHEMBL11341918,PC-id_12894309	255.358	KOYMZKYYHYWDNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030046
n1(nc2c(C(CC2)(C)C)c1N)Cc1c(cccc1)C	PC-id_79866078	255.358	YQXCYWCXELSHTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030047
n1(nc2c(C(CC2)(C)C)c1N)Cc1cc(ccc1)C	PC-id_79866235	255.358	XSDCGZZSLUYPKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030048
n1(nc2c(C(CC2)(C)C)c1N)Cc1ccc(cc1)C	PC-id_79867097	255.358	RNKHJKKBFSQCRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030049
CC(C(=O)Nc1sc2c(n1)CCC2)C(=S)N	PC-id_61859272,EMOLS-id_38626474	255.36	VVEVVPBNNTYTCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030050
s1c2CCCc2cc1C(=O)NNC(=S)NC	PC-id_8745964	255.36	ROZNOLDXWAFLBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030051
s1c2CCCc2nc1NC(=O)C1NCSC1	PC-id_61512110	255.36	YMIFNEBRWXHRCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030052
CCOCC(CNCc1sc2c(c1)CCC2)O	PC-id_63931526,EMOLS-id_40137507	255.376	AQVNJXXOCJAXGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030053
COC(C(NCc1sc2c(c1)CCC2)C)OC	EMOLS-id_40474936,PC-id_64387293	255.376	MNIFBAYWFDLEOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030054
OCC(CNCc1sc2c(c1)CCC2)(CO)C	EMOLS-id_315649805,PC-id_81610090	255.376	HUKHIRVIHVNSPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030055
s1c2c(CCC2)cc1CNCCOCCOC	PC-id_64190774	255.376	AOVRXALMFKCKMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030056
s1c2c(CCC2)c(OCC(O)CNC(C)C)c1	PC-id_3069891	255.376	RMBQZESOIARHDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030057
CN(CC(CNCc1sc2c(n1)CCC2)O)C	PC-id_109948561	255.38	NXVDEMOSRJLFQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030058
C=CCc1cc2c(n1CCCCC)CC(=C2)CC=C	SCHEMBL7693036,PC-id_70164316	255.398	ZLVBBFNURFWZSN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030059
C=CCc1cc2c(n1CCCCC)C=C(C2)CC=C	SCHEMBL7693164,PC-id_70164352	255.398	XPTGNSHSFRTAFJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030060
CC/C=CC(=C/C)C(=C)c1ccc2n1CCC2CC	PC-id_142968342	255.398	WBHTWXGRPOKXLY-GMLODJKISA-N	00000010100000000000000010000000000000000000000000000000	25-01-030061
CC(CCNC(=O)c1sc2c(c1)CSC2)C	CK3123008,PC-id_6622424,ChEMBL-DNDi_CHEMBLC574-0085	255.399	GQUZSUWCHYYOEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030062
CC1(C)C(C[SiH2]c2ccccc2)Cn2c1ccc2	PC-id_102006516	255.43	UYPUHEPAPZIWEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030063
CCSCCCNCc1sc2c(c1)CCC2	PC-id_104179401	255.443	FGQRUFQTVLGJQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030064
CSCCCCNCc1sc2c(c1)CCC2	PC-id_103087888	255.443	OUHZJRKKPAIVKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030065
CSCCCNC(c1sc2c(c1)CCC2)C	PC-id_115721377	255.443	MHCOMLPIPHBXGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030066
CSCC(NC(c1sc2c(c1)CCC2)C)C	PC-id_115721776	255.443	YGTBSBRRIHSVOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030067
CSC(CNC(c1sc2c(c1)CCC2)C)C	PC-id_115895519	255.443	RBBRRIHGADMUAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030068
CCOC(=O)C(=O)C1=C(c2ccc(n2C1)Cl)O	PC-id_134858964	255.654	YUQWKLNMYADEIV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030069
Clc1sc2c(C(NCC(F)(F)F)CC2)c1	PC-id_81251487,EMOLS-id_313687115	255.688	MWKXLVGJUMDRTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030070
CCC1(CCn2c1ccc2C(=O)Cl)CC(=O)O	SCHEMBL10996878	255.697	WDFAULALYYCAKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030071
CCOC(=O)CC1CCn2c1ccc2C(=O)Cl	PC-id_53885669,SCHEMBL10996875	255.697	HMYKLKNLCSKBAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030072
c12c[nH]c(S(=O)(=O)Cl)c1CCS2(=O)=O	EMOLS-id_31421722,MCULE-5124693658,PC-id_45792640,SCHEMBL17850517	255.699	YQIDYDXPPYGKDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030073
Clc1nc2S(=O)CCn2c1S(=O)(=O)N	SCHEMBL9517845,PC-id_14422494	255.702	ZUVIKMHPIMYSIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030074
Clc1sc2C(=O)N(C(C3CC3)C)C(=O)c2c1	PC-id_85634674	255.721	INHYUJIKQVXHFN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030075
Clc1sc2c(c1)C(CC2)NCc1nocn1	PC-id_106392965	255.724	BEXYLLFRJMWYAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030076
Clc1sc2c(C(NCc3n[nH]nn3)CC2)c1	PC-id_81252701	255.727	LSGCRGABOQDDOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030077
ClC1CCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_63398432	255.764	PNNAXRYCKJRGCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030078
ClCC1(CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_116349499	255.764	RORRWXVYWLEXQO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030079
ClCC=CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_315616702	255.764	OTWGIHBQQBZQOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030080
ClC/C=C/CNC(=O)c1sc2CCCc2c1	PC-id_81430382	255.764	OTWGIHBQQBZQOL-OWOJBTEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030081
CC1CCc2c1c(CCl)nn2CCCN(C)C	EMOLS-id_331029510,MCULE-4956773590	255.787	USSGBECFSBZHJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030082
CC1CCc2nn(CCCN(C)C)c(CCl)c12	EMOLS-id_331010742,MCULE-3509040070	255.787	SPOTYAIIZLRKOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030083
Clc1sc2CCC(Nc3ccsc3)c2c1	PC-id_81252610	255.787	HAWIUMOYAOWYSE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-030084
CC1(C)CC1CNC1CCc2c1cc(s2)Cl	PC-id_105750822	255.807	QCXHVRUCZQOODJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030085
CC1(CCC1)CNC1CCc2c1cc(s2)Cl	PC-id_115892816	255.807	UAGPXIKAXIHTCT-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030086
CC1CCC(C1)NC1CCc2c1cc(s2)Cl	PC-id_114544099	255.807	REZJFUNDXWCYRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030087
CC(C1CC1)CNC1CCc2c1cc(s2)Cl	PC-id_115888873	255.807	BQWCMTITEOFYIP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030088
CCC1(CC1)CNC1CCc2c1cc(s2)Cl	PC-id_115892725	255.807	DTOIPTGXKFQHGH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030089
CC(C1CCC1)NC1CCc2c1cc(s2)Cl	PC-id_115896515	255.807	VFQLFJKEAQCLEX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030090
CCCC1CC1NC1CCc2c1cc(s2)Cl	PC-id_115892223	255.807	WHCAQDMBFCWXLD-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030091
Clc1cc2c(s1)CCC2NCCC1CCC1	PC-id_115893505	255.807	FSHDQZOFMMLKEB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030092
Clc1cc2c(s1)CCC2NCCCC1CC1	PC-id_115890795	255.807	UHEGWJQDWZRQKG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030093
Clc1sc2c(C(NC3C(CCC3)C)CC2)c1	PC-id_81251428	255.807	LQDDEIIYQIXVHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030094
Clc1sc2c(C(NC3CCCCC3)CC2)c1	PC-id_81252037	255.807	ATXLOUGYWWZVLB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-030095
Clc1sc2c(C(NCC3CCCC3)CC2)c1	PC-id_81252166	255.807	WVDTZSPVELAJIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030096
Clc1sc2c(C(NC(CC3CC3)C)CC2)c1	PC-id_81251861	255.807	GDGLFRQUKGJSJW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030097
c1(C(F)(F)F)nn2c(NCC2)c1Br	MCULE-9895330938,PC-id_137198912	256.023	MRWZYZGYSFTTKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030098
CC1=C2C(=CS1)C(C(=C(C)C)C2=C(C#N)C#N)O	PC-id_155268096	256.067	LZESXVRBTZYZGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030099
CC1=CC=C(S1)C(=O)C2(CCN3C2=CC=C3)C#N	PC-id_153879086	256.067	YFTSBNBFBPQTDI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-030100
n12c(Cl)c(nc1C(=C(C#N)C2=N)N(C)C)Cl	MCULE-6406957254	256.091	HAFWCXDWSCXXDK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-030101
O=C1N(CC2CC2)Cn2c1ncc2Br	PC-id_140263698	256.099	GVEXTBNEFWTMQG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030102
CC(C)(C)C1=C2C(=C(S1)C(C)(C)C)NSN2	PC-id_164127017	256.107	CRFDSSVYGNRKEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030103
COC(=O)[C@H]1Cc2c(C1)n(nc2)Cc1ccccc1	PC-id_163672629	256.121	JDXAVTDDUZEGHQ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030104
CC1(C2=C(CN1)C(=NN2)NC(=O)C3=CC=CC=C3)C	PC-id_154321442	256.132	NIUHWXHNUFBYQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030105
Cc1nn2c(c1)CN=C2C(c1cc(ccc1)N)OC	PC-id_163663604	256.132	MHFJSCBUQGGJAZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-030106
CN1C(=C2CCCC2=N1)C(=O)N(C)C3=CC=CC=N3	PC-id_154778992	256.132	LLXOGYSVTOQLIV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030107
CC1C(=Cc2cc(cn12)Br)C(C)OC	PC-id_134340713	256.139	BVXBUQBCKFXFFE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030108
CO[C@H](C1=Cc2n(C1C)cc(c2)Br)C	SCHEMBL19964683	256.139	BVXBUQBCKFXFFE-MQWKRIRWSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030109
Brc1n(nc2c1C(NC1CC1)CC2)C	PC-id_83913139	256.142	JQIQOXCJMQBTGB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030110
Brc1nn(c2c1C(NC1CC1)CC2)C	PC-id_83913140	256.142	AYTHYRABDFCYAY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030111
BrC(=C)CNC1CC(n2c1ncc2)C	EMOLS-id_107266092	256.142	YIOPUXQMJVDUKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030112
Brc1c2CCCc2sc1C(C)C#N	PC-id_84805259	256.162	UBDFOOOAKWFHGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030113
Brc1c2CCCc2sc1CCC#N	PC-id_84805260	256.162	DDHMXBJRHWOILP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030114
Brc1cc2c(s1)CCC2NCC#C	EMOLS-id_96745000	256.162	BJYRZDZZEHVFOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030115
O=CN1Cc2c(C1(C)C)n(nc2NC(=O)O)P	PC-id_145072811	256.198	OEOBHGDPHWRTCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030116
CN1Cc2c(C1)c(no2)S(=O)(=O)C(F)(F)F	SCHEMBL19454038	256.202	YUAOZGXLENLWRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030117
S(=O)(=O)(Oc1c2n(nc1)CCC2)C(F)(F)F	PC-id_54578079	256.202	HNQSARDRMKIRFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030118
CCC1Oc2c(O1)c(oc2C(=O)OC)C(=O)OC	PC-id_141365875	256.209	QDHJJKQMHWWWNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030119
CCOC(=O)NCC1Cn2cc(nc2O1)[N+](=O)[O-]	PC-id_86604807	256.215	KQBCGJRJFOKXMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030120
O1[C@@](Cn2c1nc([N+](=O)[O-])c2)(COC(=O)NC)C	PC-id_69481299,SCHEMBL5542198	256.215	WRGXXJHOSYBTOU-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-030121
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COC(=O)NC)C	SCHEMBL5542192,PC-id_69481298	256.215	WRGXXJHOSYBTOU-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030122
O1C(Cn2c1nc([N+](=O)[O-])c2)(COC(=O)NC)C	SCHEMBL5542204,PC-id_69481300	256.215	WRGXXJHOSYBTOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030123
c1cnccc1C(=O)/C=c
/c(=O)n2c(nnc2[nH]1)N	PC-id_136961936	256.22	WOJOLDXQTHOMHJ-ALCCZGGFSA-N	00000000100000101001000010000000000000000000000000000000	25-01-030124
COC(=O)C1C(=O)c2c(scc2O1)C(=O)OC	PC-id_135070804	256.232	CBBSICOSXTWTOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030125
O=C(C(=O)O)Nc1sc2c(c1C(=O)O)CNC2	SCHEMBL7534829,PC-id_70121155	256.235	XVEVPHVFDXDCBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030126
c1(C(=O)O)c2C(C)CCc2n(CC2CC2(F)F)n1	EMOLS-id_330985215,MCULE-7149403315	256.249	CPEHNDGJNSDFHT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030127
c1(C(=O)O)c2C(C)CCc2nn1CC1CC1(F)F	EMOLS-id_330968251,MCULE-7026060727	256.249	UCZROQKCBOSZMT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030128
O=C(c1cc2c([nH]1)CCC2)N1CC(O)(C(F)F)C1	PC-id_146092689,EMOLS-id_324046887,MCULE-7014971619,ZINC22_1857527701	256.249	JKILGMDKQWJHCX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030129
O=C(C1NCc2c1c[nH]n2)N1CCCC(C1)(F)F	EMOLS-id_320245592,MCULE-7274754266	256.252	DMYUOWVAXOVTGL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030130
O=C(C1NCc2c1c[nH]n2)NCC1(C)CC1(F)F	EMOLS-id_320253181,MCULE-3359017905	256.252	NUIWYLMAWXKYPS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030131
O=C(NC1CCn2c1ncc2)NCC1CC1(F)F	EMOLS-id_319512874	256.252	KLFXDRMIKSNMFZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030132
o1c(c2CCC(c2c1)C(=O)O)C(=O)c1ccccc1	PC-id_10445116	256.253	FTGGGRCJXKXLKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030133
FC(N(C(=N)c1nc2c(n1C)CNC2)C(=N)C)F	PC-id_144979350	256.255	FJMQGZLRSSTEKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030134
O1c2c(n(c(c2)C(=O)c2ccc(N)cc2)C)CC1=O	PC-id_18424340,SCHEMBL7676981	256.257	KOPWONOSOXANSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030135
O=C1c2n(CC1)c(NC(=O)Oc1ccccc1)cc2	PC-id_11265328	256.257	TZNCKKCWFNYDSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030136
O=C1Cc2c(C1)n(nc2C(=O)O)Cc1ccccc1	SCHEMBL5529498,PC-id_23135167	256.257	JXRGJSAIGLEIGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030137
OC(=O)C1CCn2c1cnc2C(=O)c1ccccc1	SCHEMBL10429560,PC-id_15623003	256.257	WILKEZRJPGURPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030138
OC(=O)N1c2c([nH]c(c2)C(=O)c2ccccc2)CC1	SCHEMBL8710600,PC-id_67670541	256.257	GZQRQTBWBMFGIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030139
C1Cn2cccc2C1=NNc1cc(ccc1)[N+](=O)[O-]	EMOLS-id_300774973,MCULE-9473721830,PC-id_91939028	256.26	JXHOPSGDCZZAAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030140
N#Cc1occ(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319081078	256.26	LNEBLOIAJONPRY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-030141
Oc1cncc(c1)C=CC(=O)N1CCn2c1ncc2	MCULE-3357834331,EMOLS-id_324037706	256.26	FKHWYVMHXJVZFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030142
O=C(/C=C/c1cncc(O)c1)N1CCn2ccnc12	PC-id_146099255,ZINC22_1648424955	256.26	FKHWYVMHXJVZFZ-OWOJBTEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030143
O=[N+]([O-])c1cccc(N/N=C/CCn3cccc23)c1	ZINC22_89780841,PC-id_75459980	256.26	JXHOPSGDCZZAAX-QINSGFPZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030144
N#Cc1c([nH]nc1C)NC(=O)c1cnn2c1CCC2	EMOLS-id_319202133	256.263	BTAOVUCHDJGATR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030145
N#Cc1cn[nH]c1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_320019328,MCULE-3273696146	256.263	RXODSKQOZZUISN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030146
N#Cc1cn[nH]c1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319527430	256.263	MYMRREUXDAPAJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030147
N#Cc1cn[nH]c1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319167111	256.263	FGQXHPVZWHFWTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030148
O(c1c(N/N=C/2c3n(N=C2C)cnn3)cccc1)C	PC-id_59994874	256.263	QQQZRXWXUIURIZ-PTNGSMBKSA-N	00000011100000110001000010000000000000000000000000000000	25-01-030149
O(c1c(NN=C2c3n(N=C2C)cnn3)cccc1)C	PC-id_72617057	256.263	QQQZRXWXUIURIZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-030150
CCOC(=O)c1sc(c2c1OCO2)C(=O)CC	PC-id_141785507	256.275	NLPBTPZNSOQOEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030151
c12CN(Cc1nn(CCF)c2CN)C(=O)OCC	MCULE-6527502599,EMOLS-id_324347503	256.277	AWRCSVHXVOBHBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030152
CCCC1CC(c2n1nc(n2)C(=O)N(OC)C)F	SCHEMBL20642124,PC-id_137409222	256.277	RJEZCHCZHLIGML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030153
CC(C)C1CC(c2nc(nn12)C(=O)N(C)OC)F	PC-id_137412463,SCHEMBL20645871	256.277	VKUWUFVEFKKQCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030154
CCC[C@@H]1C[C@@H](c2n1nc(n2)C(=O)N(OC)C)F	SCHEMBL20642125,PC-id_137409223	256.277	RJEZCHCZHLIGML-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030155
CN(C)CCCNC(=O)c1nn2CCOc2c1F	PC-id_91960094	256.277	JTHIUKVUQSNPIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030156
CON(C(=O)c1nn2c(n1)[C@H](CC2C(C)C)F)C	SCHEMBL20867800,PC-id_138515964	256.277	VKUWUFVEFKKQCE-JAMMHHFISA-N	00000010100000000001000010000000000000000000000000000000	25-01-030157
CON(C(=O)c1nn2c(n1)[C@H](C[C@H]2C(C)C)F)C	PC-id_138504530,SCHEMBL20854946	256.277	VKUWUFVEFKKQCE-YUMQZZPRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030158
c1(N(=O)=O)c2CN(Cc2sc1C(=O)OCC)C	EMOLS-id_330871368,MCULE-7040452910	256.278	GARYWDSSAXLAMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030159
COC(=O)c1nn2c(c1C(=O)OC)CSC2C	PC-id_101386283	256.278	KTEVQYZMHSKPKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030160
COC(=O)CNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_315823840,PC-id_104287569	256.278	GWVKGTJYZUAHNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030161
OC(=O)COCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357085,PC-id_54963039	256.278	CLUBQVQKBRSMMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030162
C/C(=c
/sc2=NCCn2c1=O)/NNC(=O)OC	PC-id_100944336	256.282	JOOPKZPEGCNJOS-WAYWQWQTSA-N	00000011100000000001000010000000000000000000000000000000	25-01-030163
CNC(=O)ON=C1n2ccnc2S(=O)C1(C)C	SCHEMBL11176754,PC-id_53689522	256.282	BMHAQGANJGUJLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030164
O=S(=O)(n1cc2c(n1)CN=C2)N1CCOCC1	PC-id_141414361	256.282	CZZUWXYXQYYBHF-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-030165
o1c(c2CCCc2c1C(=O)C)C(O)c1ccccc1	PC-id_11010579	256.296	UFUZSTGPTMDEOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030166
C1Cc2c(C1Cc1cc(ccc1)N)cc([nH]2)C(=O)O	PC-id_88986223,SCHEMBL12952179	256.3	HQZMVYGFVJEXMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030167
c1ccc(cc1)COCCC1c2c(cc[nH]2)C(=O)N1	PC-id_89783639,SCHEMBL15230822	256.3	ALWGKZCCZBCNAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030168
c1(C(=O)Nc2ccc(cc2)CC)c2CCCc2on1	BindingDB_PC-id_5075959,PC-id_5075959,ChEMBL-DNDi_CHEMBL1448466,MCULE-6638815000,TIMTEC170747,CHEMBL1448466,BindingDB-id_75436,ChEMBL-DNDi_CHEMBLC226-3252,ZINC22_426292,SCHEMBL13856591,EMOLS-id_11329408	256.3	GKFRHMZABSZTGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030169
c1(C(=O)Nc2ccc(c(C)c2)C)c2CCCc2on1	BindingDB_PC-id_3353691,BindingDB-id_92969,CHEMBL1496441,ChEMBL-DNDi_CHEMBL1496441,EMOLS-id_15971926,PC-id_3353691,MCULE-4642636516,SCHEMBL20435650	256.3	PSXXAJCPMIFXQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030170
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2)n1	MCULE-7249877057,EMOLS-id_330984443	256.3	ZSAMMWKQFXMRJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030171
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1	MCULE-4299970952,EMOLS-id_330967479	256.3	JTZPFCSAIREXLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030172
Cc1ccc(cc1)CC(=Nc1onc2c1CCC2)O	PC-id_16942428,CoCoCo_5123881,Chemmine_45379	256.3	BYFKTPKHOZJFNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030173
Cc1nn2CCCc2c1C(=O)OCc1ccccc1	SCHEMBL19998091,PC-id_134370027	256.3	VPILJZDSURLZCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030174
Cc1nn(c2c1CCC2)C(=O)OCc1ccccc1	SCHEMBL19646122	256.3	ACEQJAMPWAZPRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030175
COc1ccc(cc1)C(=O)c1cc(n2c1NCC2)C	PC-id_102242063	256.3	BYIFEILQTJHJPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030176
COc1cccc(c1)NCC1Cn2c(C1=O)ccc2	PC-id_54164861,SCHEMBL8829554	256.3	OQXUXMXCXQFGAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030177
o1nc2CCCc2c1NC(=O)c1cc(c(cc1)C)C	PC-id_16942306,CoCoCo_5123836	256.3	MLJWTXVOHFSNBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030178
O=C1c2c(n(nc2Cc2ccccc2)CCO)CC1	PC-id_22733039,SCHEMBL6164117	256.3	LSPRUFMLRLYOES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030179
O=C1N[C@@H](c2c1cc[nH]2)CCOCc1ccccc1	SCHEMBL15230817	256.3	ALWGKZCCZBCNAT-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030180
O=C1N[C@H](c2c1cc[nH]2)CCOCc1ccccc1	SCHEMBL15231331	256.3	ALWGKZCCZBCNAT-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030181
O(CC(=O)n1nc2c(CCC2)c1C)c1ccccc1	PC-id_12139107	256.3	TYRUKAZYJHDNCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030182
O(CC(=O)n1nc(c2CCCc12)C)c1ccccc1	PC-id_12139106	256.3	INPMUHSSNDIMJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030183
OC(=O)c1cc2c([nH]1)C(CC2)NCc1ccccc1	SCHEMBL8156049,PC-id_70290287	256.3	ZQLUYZGVHSKDEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030184
OC(=O)c1cc2c([nH]1)CCC2NCc1ccccc1	SCHEMBL8163610,PC-id_70292023	256.3	GSCAZGFIIDDIDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030185
OC(=O)c1cc2c([nH]1)CC[C@@H]2NCc1ccccc1	PC-id_57659868,SCHEMBL12777464	256.3	GSCAZGFIIDDIDO-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030186
OC(=O)c1cc2c([nH]1)[C@@H](CC2)NCc1ccccc1	PC-id_57659812,SCHEMBL12777451	256.3	ZQLUYZGVHSKDEF-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030187
OC(=O)C1CCc2n(c(nc12)Cc1ccccc1)C	PC-id_84010987	256.3	HYFHRFFGOPBAJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030188
OC(=O)C1CCc2[nH]c(nc12)CCc1ccccc1	PC-id_84010923	256.3	GJAVBXDIGSHTEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030189
OC(=O)c1[nH]c2c(c1)CC(C2)NCc1ccccc1	SCHEMBL12844769,PC-id_68402493	256.3	KMXZBKHDNLBHBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030190
OC(=O)c1[nH]c2c(c1)C[C@H](C2)NCc1ccccc1	SCHEMBL12777454,PC-id_57659928	256.3	KMXZBKHDNLBHBB-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030191
OC(=O)c1n(nc2c1CCC2)Cc1c(cccc1)C	PC-id_82299573	256.3	PSJGIYGODNYKBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030192
OC(=O)c1n(nc2c1CCC2)Cc1cc(ccc1)C	PC-id_82299577	256.3	JUIUGVIJOXQHQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030193
OC(=O)c1n(nc2c1CCC2)Cc1ccc(cc1)C	PC-id_82299581	256.3	BPDOKPYPLQJXOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030194
OC(=O)c1n(nc2c1CCC2)CCc1ccccc1	PC-id_82299585	256.3	CLFCSNPLSKVEPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030195
OC(=O)c1nn(c2CCCc12)Cc1c(cccc1)C	PC-id_82299575	256.3	PURQYVWLIOUBJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030196
OC(=O)c1nn(c2CCCc12)Cc1cc(ccc1)C	PC-id_82299579	256.3	OHAXVTOQLYGMJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030197
OC(=O)c1nn(c2CCCc12)Cc1ccc(cc1)C	PC-id_82299583	256.3	OZQSOXUXCIJMOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030198
OC(=O)c1nn(c2CCCc12)CCc1ccccc1	PC-id_82299587	256.3	PVZCFIRHFBSGRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030199
S1(=O)(=O)N(CCCC#N)C(=O)c2c1csc2	PC-id_13321930	256.301	RRLANDNBRRNIAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030200
O=c1n2n(CCC2)c(N(CC(O)C)CCO)c1N	PC-id_68360301,SCHEMBL12706978	256.302	YDMINVIJJOJGRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030201
c12CN(Cc1nn(C)c2C=NO)Cc1ccccc1	EMOLS-id_324355182,MCULE-6986372821	256.303	AQRRABOGNYDHTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030202
c1(C(=O)Nc2ccnc(C)c2)c2CCCc2n(C)n1	EMOLS-id_180404767,MCULE-7286257442,PC-id_110678753	256.303	HVLDLUZAWZWQCU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030203
c1(C(=O)NCc2ccccn2)c2CCCc2n(C)n1	EMOLS-id_179745097,PC-id_110389011,MCULE-7583523709	256.303	FQBSSMOFEVRVPW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030204
c1(C(=O)NCc2cccnc2)c2CCCc2n(C)n1	PC-id_110389012,MCULE-5122710945,EMOLS-id_179745100	256.303	UHTXYFPTSDPUTQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030205
c1(C(=O)NCc2ccncc2)c2CCCc2n(C)n1	EMOLS-id_179745103,MCULE-3975229994,PC-id_110389013	256.303	UDCVQTNHNKDSCE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030206
c1(C(=O)NCCc2ccccn2)c2CCCc2n[nH]1	EMOLS-id_49401567,MCULE-9522841433,ZINC22_95472362,PC-id_71700787,STOCK7S-41539,EMOLS-id_48565104	256.303	BGBUPPHKWFTPCU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030207
c1(C(=O)NCCc2ccncc2)c2CCCc2[nH]n1	MCULE-1400680439,EMOLS-id_323257010	256.303	PFCYLHLKJVEVSH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030208
Cc1ccccc1C(=O)NCc1nnc2n1CCC2	EMOLS-id_45741847,ZINC22_12758475,CoCoCo_4491049,PC-id_17521927,MCULE-5016590641	256.303	PENMAGDSKAYWJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030209
Cc1cccc(c1)N(C(=O)C1NCc2c1c[nH]n2)C	MCULE-3015090867,EMOLS-id_320241183	256.303	NTCBGFCDNUHYGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030210
Cc1cccc(C(=O)NCc2n[nH]c3c2CCC3)n1	EMOLS-id_50531127,ZINC22_219279313,MCULE-1459814872,PC-id_90648797	256.303	VEGJCYFYKGJLPO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030211
Cc1cccc(n1)C(=O)NCc1cnc2n1CCC2	MCULE-2415191632,EMOLS-id_319971621	256.303	KUNHUFDKUVZADI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030212
Cc1ccc(cn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319781787	256.303	ZHKCTACZRJZHQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030213
Cc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_15545057,MCULE-2733906127,EMOLS-id_31867754,PC-id_17521251	256.303	QUNYNGMHLWJLEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030214
Cc1ccc(nc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319194405	256.303	HQVPGABZKZGOLC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030215
Cc1ccnc(c1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319615119	256.303	UTQBVXJZWSKEIU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030216
Cc1ccnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318828580	256.303	OXCLVDBDTJVYGK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030217
Cc1ccnc(c1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_318825805	256.303	KDFWHDRZXMHRKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030218
Cc1ccnc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319689956	256.303	SNLHJNYQLSDHMU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030219
Cc1ccnc(C)c1NC(=O)c1cc2n(n1)CCC2	EMOLS-id_102196345,ZINC22_333389972,MCULE-3017542442	256.303	LXDUOABXYHTQLI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030220
CC1Cn2c(N1Cc1ccccc1)c(cn2)C(=O)N	SCHEMBL18740190	256.303	MKDZDGMEQGIQRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030221
Cc1nccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319285817	256.303	HZVGKGSIFNIHFR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030222
Cc1nccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319811565	256.303	TUIIWGYKHPKCMY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030223
CCc1ccccc1NC(=O)N1CCn2c1ncc2	MCULE-6215232767,EMOLS-id_319870082	256.303	BUIKBQHQJNXAOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030224
CC(c1cccnc1)NC(=O)c1n[nH]c2c1CCC2	LEG-20286581,PC-id_75681155,EMOLS-id_380742,MCULE-1681102572	256.303	HRXUXPXVQDLFMI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030225
CC(c1nccnc1)NC(=O)c1[nH]c2c(c1)CCC2	MCULE-8459736548,EMOLS-id_320204480	256.303	RAOVGZWLNBBEJB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030226
CC(Cn1nccc1C=C1Cn2c(C1=O)ncc2)C	EMOLS-id_316596504	256.303	RRDISOQZNOXWRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030227
C[C@H](c1ccncc1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318820643	256.303	KQDGPWOWWWDNEP-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030228
C[C@H](c1ccncc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318899876	256.303	BABOIDPJCVNZAP-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030229
C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1cccnc1	PC-id_51592440,ZINC22_19459610	256.303	HRXUXPXVQDLFMI-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-030230
C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1cccnc1	ZINC22_19459608,PC-id_51592439	256.303	HRXUXPXVQDLFMI-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030231
CC(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2918051,PC-id_68440509	256.303	HXMPDALNJBFHET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030232
CN1C(Cc2ccccc2)Cn2c1c(cn2)C(=O)N	SCHEMBL18740187	256.303	KJDRNFYCWFTYIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030233
CN(Cc1ccccc1)C(=O)c1c2NCCn2nc1	SCHEMBL18740189,PC-id_137221522	256.303	QGLGIOBHJZGBQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030234
CN(Cc1nnc2n1CCC2)C(=O)c1ccccc1	ZINC22_65566960,CHEMBL4561135,EMOLS-id_35688610,PC-id_53515795,MCULE-2295073824	256.303	SPYJCDAGTWIUKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030235
Nc1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_119822836	256.303	MWNMMFMXZTWMIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030236
Nc1cccc(c1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_119822852,EMOLS-id_301287868,MCULE-1424324931	256.303	JOIZUAQALCBTNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030237
NC(=O)C(c1[nH]nc2c1CNC2)c1ccc(cc1)C	PC-id_68637147,SCHEMBL3424364	256.303	IUAXBBJIGBZYDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030238
O=C(c1cc2c([nH]1)CCC2)N1CC(c2cc[nH]n2)C1	MCULE-1721489152,PC-id_145909623,ZINC22_1875296447,EMOLS-id_319022120	256.303	XQLALSJEDFCAPU-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-030239
O=C(c1cccc(c1N)C)N1Cc2c(C1)cnn2C	EMOLS-id_319201494	256.303	IIQDWFBPOLKUED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030240
O=C(c1cccc(c1N)C)NC1CCn2c1cnc2	EMOLS-id_319641398	256.303	AIPIYKGOMDQKBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030241
BrCc1c2c(oc1C(C)(C)C)CCC2	PC-id_83610504	257.167	CIPIOXDXKHAUJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030450
O=C(c1cccnc1C)NCc1cnc2n1CCC2	EMOLS-id_319878198	256.303	AIILSQIWFFLGQL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030242
O=C(c1cccnc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319243393	256.303	OHVDMERFMKRZJY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030243
O=C(c1ccncc1C)NCc1cnc2n1CCC2	EMOLS-id_319556686	256.303	SMFGJVPAUJQDRW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030244
O=C(c1cn2c(n1)CCC2)N[C@@H](c1ccncc1)C	EMOLS-id_319188472	256.303	YHWKWROFEOJJLY-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030245
O=C(c1cnccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101557427	256.303	RRJAGOHUVPHQRW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030246
O=C(c1cnccc1C)NCc1cnc2n1CCC2	EMOLS-id_319163307	256.303	DAUUMCSIQASZBG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030247
O=C(C1NCc2c1c[nH]n2)N(Cc1ccccc1)C	MCULE-9373530728,EMOLS-id_319971336	256.303	ZZJAFBMMPVFDRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030248
O=C(c1ncccc1C)NCc1n[nH]c2c1CCC2	MCULE-7819388501,EMOLS-id_319990082	256.303	BYLHQIPOFIGCOS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030249
O=C(c1[nH]c2c(c1)CCC2)N1CC(C1)c1[nH]ccn1	EMOLS-id_319502726	256.303	DVLAANOLMLJIGT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-030250
O=C(c1[nH]c2c(c1)CCC2)NC1(CC1)c1[nH]ccn1	EMOLS-id_319608331	256.303	BAGWDFCSUNXXEY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-030251
O=C(c1nn2c(c1)CCC2)N[C@@H](c1ccncc1)C	EMOLS-id_320095678,MCULE-2176204954	256.303	FJKVGWWOSUCPLL-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030252
O=C(Cc1ccncc1)NCc1cnc2n1CCC2	EMOLS-id_318857650	256.303	FXCBAXYPWDMUFO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030253
O=C(Cc1ccncc1)NCc1n[nH]c2c1CCC2	MCULE-1081354996,EMOLS-id_319816950	256.303	KVMQFQPJPOFWNF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030254
O=C(N1Cc2c(C1)c(n[nH]2)C(C)C)c1ccccn1	SCHEMBL17229864,PC-id_118489381	256.303	ULDKGBRTBYGMDT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030255
O=C(N1Cc2c(C1)c(n[nH]2)C(C)C)c1cccnc1	PC-id_118489377,SCHEMBL17229860	256.303	CUZCUDJKNXSDNA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030256
O=C(N1Cc2c(C1)c(n[nH]2)C(C)C)c1ccncc1	PC-id_118489386,SCHEMBL17229869	256.303	BTZRQVHPRYVJNE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030257
O=C(N1CCn2c1ncc2)Nc1c(cccc1C)C	PC-id_3050888	256.303	HQJIZRXBRCVKHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030258
O=C(Nc1n[nH]c2c1CNC2)Cc1ccc(cc1)C	SCHEMBL3424367,PC-id_68637149	256.303	NDWIVVFVMQLYTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030259
O=C(NCc1ccccc1)c1nc2n(CCC2)c1N	PC-id_71739347	256.303	DZDASOXGKAVVQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030260
O=C(NCc1n2CCCc2nn1)c1cc(ccc1)C	PC-id_17505588	256.303	YHLYBVOYVRTWQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030261
O=C(NCc1n2CCCc2nn1)Cc1ccccc1	PC-id_38170082	256.303	RBCFPWBGFMEDNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030262
O=C(NC(c1n2CCCc2nn1)C)c1ccccc1	PC-id_60715577	256.303	RNAWSNFVVXUYKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030263
NC(=NCc1nnc2n1CCC2)Nc1ccccc1	PC-id_110914538	256.306	GZHKZGPQMGZWLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030264
S1(=O)(=O)C(c2c(C1)coc2C(=O)C)CCCC	PC-id_10038043	256.318	CXXBIQNABFDVNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030266
S1(=O)(=O)C(c2c(C1)c(oc2)C(=O)C)CCCC	PC-id_10400179	256.318	WKWFKSQXVKEQMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030267
C/C(=C
/[C@@H](c2c(C1=O)scc2)O)/c1ccccc1	PC-id_135043833	256.32	PXLPBUYYOXIYBX-CNELAYHGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030268
c1(NC(=O)COCCOC)sc2c(CCC2)n1	MCULE-4042590184,PC-id_103606747,EMOLS-id_334659802	256.321	ZXZLNCGOCCIYNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030269
CC(C)(C)OC(=O)N1Cc2nc(CO)sc2C1	ZINC22_199835121,EMOLS-id_71009098,PC-id_53494639,MCULE-4217286537	256.321	LVUCEALFZJFELC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030270
CCOCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_314892823,PC-id_104287396	256.321	AOPSDBRWUDKZCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030271
COCCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_315229033,PC-id_104287780	256.321	SECIGSBQGXCQFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030272
COCCN(c1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_315824353,PC-id_104288443	256.321	GJJPDVRVGAECFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030273
COC(CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_102701748	256.321	WDERQNRKPREZGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030274
COCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287510	256.321	MDDWFXGHRLRGKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030275
OC(=O)CSc1nc2c([nH]1)C(OC2(C)C)(C)C	EMOLS-id_315433830,PC-id_80130403	256.321	XAPJAPXOFOWNHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030276
S(C1CCn2c1c(cc2)CO)C[C@H](N)C(=O)O	PC-id_21120478	256.321	SQSGSRJUBPDLGK-IENPIDJESA-N	00000010100000000000000010000000000000000000000000000000	25-01-030277
S(C1CCn2c1c(cc2)CO)CC(N)C(=O)O	PC-id_53461959	256.321	SQSGSRJUBPDLGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030278
S([C@@H]1CCn2c1c(cc2)CO)C[C@H](N)C(=O)O	PC-id_125137	256.321	SQSGSRJUBPDLGK-DTWKUNHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030279
c1(C#N)c2CCCc2sc1N=Cc1ccc(C)o1	PC-id_1969442,MCULE-4687795412,ChEMBL-DNDi_CHEMBL1546870	256.323	GNFNGZPSNUXQKP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-030280
Cc1ccc(/C=N/c2sc3c(c2C#N)CCC3)o1	STOCK3S-26475,PC-id_9660653,ZINC22_100900889,EMOLS-id_26299638	256.323	GNFNGZPSNUXQKP-LZYBPNLTSA-N	00000010101000000000000010000000000000000000000000000000	25-01-030281
N#CC1CCn2c1ccc2C(=O)c1ccc(s1)C	SCHEMBL11344987,PC-id_21331527	256.323	MYLVWABLLFZPCJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-030282
N#CC1CCn2c1ccc2C(=O)c1sccc1C	PC-id_21331530,SCHEMBL11343902	256.323	QUWDSNJSHZIOID-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-030283
N#CC1CCn2c1ccc2C(=O)c1scc(c1)C	SCHEMBL11345661,PC-id_21331546	256.323	NQBIVBSPUSSSND-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-030284
CC1CCN(C1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316962632,MCULE-7213514386	256.325	ASOXUOGAYKWHGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030285
C[C@@H]1CCN(S(=O)(=O)N2Cc3c[nH]nc3C2)C1	ZINC22_632565709	256.325	ASOXUOGAYKWHGO-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030286
C[C@H]1CCN(S(=O)(=O)N2Cc3c[nH]nc3C2)C1	ZINC22_632565710	256.325	ASOXUOGAYKWHGO-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030287
COCCNC(=O)Cn1nc2c(c1N)CSC2	MCULE-6454492323,CoCoCo_5090350,EMOLS-id_27513005,PC-id_33677817,ZINC22_26421993	256.325	WYRYMPQQYBQDGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030288
NC1CC(C1)NS(=O)(=O)c1cnc2n1CCC2	PC-id_121705547	256.325	OXDSVIBVECZOOG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-030289
NC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	PC-id_120874814,MCULE-1442695084,EMOLS-id_302862229	256.325	CQLZLJJMVNEEFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030290
N[C@@H]1C[C@H](C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_303011443,MCULE-9701069860	256.325	OXDSVIBVECZOOG-ZKCHVHJHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-030291
N[C@H]1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302983289,MCULE-2778800503,PC-id_121703359	256.325	CQLZLJJMVNEEFR-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030292
N[C@@H]1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	PC-id_120874471,MCULE-4956130978,EMOLS-id_302861973	256.325	CQLZLJJMVNEEFR-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030293
O=S(=O)(c1cnc2n1CCC2)N1CCNCC1	MCULE-9230822118,PC-id_120999078,EMOLS-id_303031661	256.325	NXPICBWXEUFZFX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030294
O=S(=O)(c1cnc2n1CCC2)NC1CNCC1	PC-id_120874637,EMOLS-id_302855824,MCULE-4042404210	256.325	NQKSORPCKVGKCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030295
O=S(=O)(N1CCC1)NCc1n[nH]c2c1CCC2	MCULE-4890244598,EMOLS-id_319901262	256.325	ZMROYNHBTYCVDL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-030296
s1c2CN(Cc2nc1N)CC(=O)NCCOC	PC-id_82194252	256.325	ZFKNGEXXAZGDKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030297
S1(=O)(=O)CC(NCC1)Cc1n2CCCc2nn1	PC-id_80518897	256.325	HMAFXXWXZOKMRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030298
S1(=O)(=O)CC(NCc2n3CCCc3nn2)CC1	PC-id_60835569	256.325	IZZSCZYKQODHQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030299
S(=O)(=O)(CCCc1n2N=C(Cc2nn1)C)CC	PC-id_22944553	256.325	WVRWXQPJVPQUMU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-030300
N#Cc1cc(Nc2sc3c(n2)CCC3)nc(c1)C	PC-id_114766034	256.326	JWTXGJVVERMQKI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030301
N#Cc1ccnc(n1)NCc1sc2c(c1)CCC2	PC-id_113973353	256.326	GEVAIXRPXCTSFQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030302
N#Cc1ccnnc1NCc1sc2c(c1)CCC2	PC-id_80514749,EMOLS-id_315460332	256.326	SVLURKCORZAZCQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030303
N#Cc1nccnc1NCc1sc2c(c1)CCC2	PC-id_62673564,EMOLS-id_314179624	256.326	OVAJAYCMVNLSLZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030304
N#Cc1ncc(nc1)NCc1sc2c(c1)CCC2	PC-id_64287786,EMOLS-id_314879229	256.326	AHGATRUZKKKSHY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030305
s1c2CCCc2nc1Nc1nc(ccc1C#N)C	PC-id_61653666	256.326	JCZLVOCMICQGFI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030306
s1c2CCCc2nc1Nc1nccc(c1C#N)C	PC-id_81728732	256.326	XFVQUYAHALSBRI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030307
s1c2CN(Cc2nc1N)Cc1ccc(cc1)C#N	PC-id_82194324	256.326	WEBIKAOWVOOJJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030308
s1c2CN(Cc2nc1N)Cc1c(cccc1)C#N	PC-id_82194325	256.326	BORCBCIPFVJUAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030309
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)CC	MCULE-6722823704,EMOLS-id_331021548	256.343	UUQXDMVFYAKOLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030310
c12C(C)CCc1nn(Cc1ccccc1COC)c2	EMOLS-id_331000236,MCULE-6823156755	256.343	QTQLCMDOYFPLLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030311
c12C(C)CCc1nn(Cc1ccccc1OCC)c2	EMOLS-id_330998184,MCULE-1621836746	256.343	VQSVYCBLBKRYLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030312
c12C(C)CCc1nn(Cc1ccc(cc1)OCC)c2	MCULE-3120151284,EMOLS-id_331000742	256.343	RUJXTFJJCAIZHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030313
c12C(C)CCc1nn(Cc1cc(C)ccc1OC)c2	MCULE-5452143299,EMOLS-id_330998440	256.343	MHOHRSUFEFUQPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030314
c12C(C)CCc1nn(Cc1ccc(c(C)c1)OC)c2	MCULE-7873978189,EMOLS-id_331001763	256.343	KDSZOTGYIOCBOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030315
c12C(C)CCc1nn(Cc1cccc(OC)c1C)c2	MCULE-8014725431,EMOLS-id_330999724	256.343	LMFCSQQLSFRAMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030316
c12C(C)CCc1nn(Cc1ccc(c(OC)c1)C)c2	MCULE-8919777857,EMOLS-id_330999206	256.343	DIMHTYNYHFFEHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030317
c12C(C)CCc1nn(Cc1cc(OC)ccc1C)c2	EMOLS-id_330999980,MCULE-9676517594	256.343	NPIXXWAELOXAID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030318
CC1CCc2c1c(CO)nn2Cc1ccccc1C	EMOLS-id_331009532,MCULE-4378772020	256.343	QSFQCSBEFVEIMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030319
CC1CCc2c1c(CO)nn2Cc1cccc(C)c1	MCULE-2573307168,EMOLS-id_331009277	256.343	AVDGLBCRXJODAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030320
CC1CCc2c1c(CO)nn2Cc1ccc(C)cc1	MCULE-3272451631,EMOLS-id_331009268	256.343	UASCGDBQKFLZAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030321
CC1CCc2c1c(O)nn2Cc1cc(C)ccc1C	EMOLS-id_330959604,MCULE-8695692276	256.343	BFVDNCLQCICRRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030322
CC1CCc2c1c(O)nn2Cc1ccc(C)cc1C	EMOLS-id_331018733,MCULE-2472010934	256.343	NKWIULXPFSBCBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030323
CC1CCc2c1c(O)nn2Cc1cccc(C)c1C	MCULE-8050888866,EMOLS-id_330960116	256.343	OCFKYQAWUXQEJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030324
CC1CCc2c1c(O)nn2Cc1c(C)cccc1C	MCULE-8765885653,EMOLS-id_330959860	256.343	VTKYQVNEJRHHDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030325
CC1CCc2c1c(O)nn2Cc1cc(C)cc(C)c1	EMOLS-id_330959349,MCULE-7539711959	256.343	KRBDNZBSGKJXDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030326
CC1CCc2c1c(O)nn2Cc1ccc(C)c(C)c1	EMOLS-id_331021292,MCULE-4074140920	256.343	VFAUOWXZRXCGQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030327
CC1CCc2nn(Cc3ccccc3C)c(CO)c12	EMOLS-id_330992311,MCULE-7604307711	256.343	SLIIETVUVDUWDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030328
CC1CCc2nn(Cc3cccc(C)c3)c(CO)c12	EMOLS-id_330992056,MCULE-5624457321	256.343	UGFWAWMTGPICKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030329
CC1CCc2nn(Cc3cccc(C)c3C)c(O)c12	EMOLS-id_331006370,MCULE-8187634706	256.343	SSGCALKTGOTKHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030330
CC1CCc2nn(Cc3ccc(C)cc3)c(CO)c12	MCULE-3348544166,EMOLS-id_330987967	256.343	VNYOGUNUGLAAQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030331
CC1CCc2nn(Cc3ccc(C)cc3C)c(O)c12	MCULE-5363302096,EMOLS-id_331003562	256.343	YWMRMEBEMKCUFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030332
CC1CCc2nn(Cc3c(C)cccc3C)c(O)c12	MCULE-7251747957,EMOLS-id_331006114	256.343	CYUSYDZRGQPXAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030333
CC1CCc2nn(Cc3cc(C)ccc3C)c(O)c12	MCULE-9818743605,EMOLS-id_331009953	256.343	JRTOHPIJYWRQMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030334
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(O)c12	EMOLS-id_331009698,MCULE-7748265623	256.343	ABVYKPZAJSUNIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030335
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(O)c12	MCULE-4649913369,EMOLS-id_331002026	256.343	FAFHESNCFKYGGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030336
CCc1ccccc1Cn1nc2CCC(C)c2c1O	EMOLS-id_331006626,MCULE-6072954357	256.343	WSPXFCGDIKNUGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030337
CC(c1ccccc1C)n1nc2CCC(C)c2c1O	EMOLS-id_331008167,MCULE-4396711700	256.343	ARCHSNAQKIQULX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030338
CCc1ccccc1Cn1nc(O)c2C(C)CCc12	EMOLS-id_330960372,MCULE-7272726340	256.343	XULMOUOCVZULAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030339
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1O	EMOLS-id_331006374,MCULE-9937078062	256.343	CPHYVBZFVNBHDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030340
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1O	MCULE-8484653847,EMOLS-id_331007651	256.343	UOWAEKPBQGXPIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030341
CCc1cccc(Cn2nc3CCC(C)c3c2O)c1	EMOLS-id_331009954,MCULE-4730498801	256.343	CPMBDQJVFKYDKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030342
CCc1cccc(Cn2nc(O)c3C(C)CCc23)c1	EMOLS-id_330959605,MCULE-8667709745	256.343	SQZDISZNTXZXOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030343
CCc1ccc(Cn2nc3CCC(C)c3c2O)cc1	EMOLS-id_331002282,MCULE-8969848558	256.343	RFJKGQWUKVJBKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030344
C/C=CC(=C/C=C)C1CCn2c1cc(n2)C(=O)CC	PC-id_142375373	256.343	ORRRWNIRVHZQRQ-VKLFPMIUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030345
C/C=CC=C/C(=C)[C@@H]1CCn2c1cc(n2)C(=O)CC	SCHEMBL20645895,PC-id_137412486	256.343	ISLAONNLVGMCTO-SQINGGCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030346
CCOc1ccccc1Cn1ncc2C(C)CCc12	EMOLS-id_331016426,MCULE-1648513657	256.343	DDYIPXHNYNXHAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030347
CCOc1ccc(Cn2ncc3C(C)CCc23)cc1	MCULE-2623377385,EMOLS-id_331014889	256.343	RKNQONXDQMXPAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030348
COc1ccc(cc1)C(C)(C)c1n[nH]c2CCCc12	EMOLS-id_337935895	256.343	RWINCVCMTPCYFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030349
COc1ccc(cc1)C(C)n1cc2C(C)CCc2n1	EMOLS-id_330999726,MCULE-1214239796	256.343	YUOJCZAEPLEZFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030350
COc1cccc(c1)C(C)n1cc2C(C)CCc2n1	EMOLS-id_331002529,MCULE-4603889721	256.343	XEQIAYGWJMYBDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030351
COc1ccccc1C(C)n1cc2C(C)CCc2n1	MCULE-2002679407,EMOLS-id_331003554	256.343	MYWMHATWRQAFMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030352
COc1ccc(C)cc1Cn1ncc2C(C)CCc12	MCULE-5502254216,EMOLS-id_331016682	256.343	JCBHCDHZFKNZNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030353
COc1ccc(C)c(Cn2ncc3C(C)CCc23)c1	EMOLS-id_331018222,MCULE-7136488781	256.343	QDQSNSGDFSDEHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030354
COc1cccc(Cn2ncc3C(C)CCc23)c1C	MCULE-7494186063,EMOLS-id_331017966	256.343	HJHNMJBZPNZBIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030355
COc1ccc(Cn2ncc3C(C)CCc23)cc1C	MCULE-9132132023,EMOLS-id_331015910	256.343	AEYGPGWHOQIWFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030356
COc1cc(Cn2ncc3C(C)CCc23)ccc1C	MCULE-2857445677,EMOLS-id_331017448	256.343	NESVPLXLWBMKMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030357
COCc1ccccc1Cn1ncc2C(C)CCc12	MCULE-9665574447,EMOLS-id_331014383	256.343	LKDFJWLVGAOXHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030358
O(c1ccc(NC2CC(n3c2ccc3)(C)C)cc1)C	PC-id_3581261	256.343	SDYPEUGBJPUSKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030359
C1Cc2c(C1)sc(c2C(=O)N)NC(=O)CS	PC-id_87894170,SCHEMBL5804131	256.344	RJJSXRNUQIIHQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030360
c1(NC(=S)N)sc2c(CCC2)c1C(=O)OC	MCULE-9194270634,EMOLS-id_207817701	256.344	WBUYCCAUJULKPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030361
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)CC	PC-id_64593126,MCULE-3411262839,EMOLS-id_314420773	256.344	SXCYHZKHWQVJLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030362
CC(c1c2c(c([nH]1)O)C(=NC2=O)C(C)S)S	PC-id_137317187	256.344	YNXQTXLFJKHFRN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030363
s1c2CCCc2nc1NC(=O)CSC(=O)C	PC-id_16949135	256.344	BTGHPBJROVGALX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030364
c12CN(Cc1nn(CCC)c2N)Cc1ccccc1	MCULE-3380089850,EMOLS-id_324340070	256.346	ZZPRCBXNJRRLKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030365
CCCn1ccc(=Nn2nc3c(c2C)CCC3)cc1	PC-id_101059621	256.346	ITRFHVLOGACKHN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030366
CCCn1ccc(=Nn2nc(c3c2CCC3)C)cc1	PC-id_101059619	256.346	OYRUABLEFPDJDZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030367
CCCN(n1nc2c(c1C)CCC2)c1ccncc1	PC-id_101029232	256.346	DUQBORDSPLMCEB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030368
n12CCCc1nnc2C(NCc1cc(ccc1)C)C	PC-id_43433214	256.346	UPYUVXPQKLBZMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030369
n12CCCc1nnc2C(NCc1ccc(cc1)C)C	PC-id_43433216	256.346	XMLUFHUOFOBBOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030370
n12CCCc1nnc2C(NCc1c(cccc1)C)C	PC-id_43433217	256.346	JRCRSAWBALEOGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030371
n12CCCc1nnc2C(NC(c1ccccc1)C)C	PC-id_43748158	256.346	KWXPYTKKJMIMHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030372
n12CCCc1nnc2C(NCCc1ccccc1)C	PC-id_43748082	256.346	JDQKUKNELYPBES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030373
N1(Cc2c(n(nc2CCN)C)C1)Cc1ccccc1	PC-id_83870568	256.346	METQBQQNBBFCMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030374
N1(Cc2c(nn(c2CCN)C)C1)Cc1ccccc1	PC-id_83870636	256.346	BJBMQRDSWHOSRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030375
N1(Cc2c(n(nc2CNC)C)C1)Cc1ccccc1	PC-id_83870570	256.346	CZDGARRAJCZGJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030376
N1(C(c2[nH]nc(N)c2C1C)(C)C)Cc1ccccc1	PC-id_83851415	256.346	BCGGQKOKOUYRDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030377
N1(C(c2n(nc(N)c2C1)C)CC)Cc1ccccc1	PC-id_83851411	256.346	MLQRCJOERPWAIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030378
N1(C(c2n(nc(N)c2C1)C)(C)C)Cc1ccccc1	PC-id_83851412	256.346	OTBMHAOVRRYWPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030379
N1(C(c2nn(c(N)c2C1)C)CC)Cc1ccccc1	PC-id_83851416	256.346	OMTJCFMJCOALMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030380
N1(C(c2nn(c(N)c2C1)C)(C)C)Cc1ccccc1	PC-id_83851417	256.346	XQCAFGXLFURLDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030381
N1(Cc2n(nc(N)c2C1)C(C)C)Cc1ccccc1	PC-id_83870561	256.346	FUOHHDLVFDAGCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030382
N1(C(C(C)C)c2[nH]nc(N)c2C1)Cc1ccccc1	PC-id_83851413	256.346	GNGUXDWKVFXRFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030383
n1(N(CCC)c2ccncc2)nc(c2c1CCC2)C	PC-id_10563045	256.346	FWUCFRBOYQRJJW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030384
C1Cc2c(C1)sc(c2)C(=O)NNC(=S)NN	PC-id_137709273	256.348	NLKKWZJCZSATGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030385
Cc1ccc(c(c1)C)C(=O)c1sc2c(c1)CCC2	PC-id_43462723,EMOLS-id_314071317	256.363	MGPCUNPNEINOIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030386
Cc1ccc(cc1)CC(=O)c1sc2c(c1)CCC2	PC-id_61078802,EMOLS-id_314552938	256.363	AZJIFQOBIZXXOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030387
Cc1cccc(c1)CC(=O)c1sc2c(c1)CCC2	PC-id_62387712,EMOLS-id_314170841	256.363	AKKMNIYGXVTHFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030388
Cc1ccc(c(c1)C(=O)c1sc2c(c1)CCC2)C	PC-id_43462519,EMOLS-id_314071827	256.363	MTLUVVAKKNMKHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030389
Cc1cc(C)cc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114963034	256.363	AHHDLGXZIFHVNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030390
CCc1ccc(cc1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_314561469,PC-id_43462877	256.363	YMVYITVYPZDXOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030391
CCc1cccc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_113659840	256.363	VDBZDIHOMHAMKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030392
O=C(c1ccc(c(c1)C)C)c1sc2c(c1)CCC2	EMOLS-id_314861302,PC-id_43463387	256.363	HKGZZVFQIWAFCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030393
O=C(c1cccc(c1C)C)c1sc2c(c1)CCC2	PC-id_113656991	256.363	FJTCOXULVNYJIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030394
O=C(c1sc2c(c1)CCC2)Cc1ccccc1C	PC-id_61080280,EMOLS-id_315031900	256.363	UYLQIHKKVBIUMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030395
O=C(c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_113655947	256.363	SVVMNYYAKXKURV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030396
COCC(CCNCc1sc2c(n1)CCC2)O	PC-id_109948794	256.364	LLYZOPKJIIADRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030397
COCC(CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908772	256.364	VUKMJXOAWQACJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030398
COCC(CN(Cc1sc2c(n1)CCC2)C)O	PC-id_109974642	256.364	AAWIIXZAYCNNJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030399
COCCNc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_315470381,PC-id_79917045	256.364	WFFQPFLKPQSERW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030400
COCCN(Cc1sc2c(n1)CCC2)CCO	PC-id_109974764	256.364	YCJQJAOZICOEKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030401
OCCCN(Cc1sc2c(n1)CCC2)CCO	PC-id_109974817	256.364	GHSQOLGSBOLEIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030402
OCCOCCNC(c1sc2c(n1)CCC2)C	PC-id_109908261	256.364	GDBDSCUNYBSFFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030403
S1(=O)(=O)Cc2c([nH]c(c2CCN)C(C)(C)C)C1	PC-id_84805348	256.364	IMVORBKGSFVIMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030404
CSC(C(NC1CC(n2c1ncn2)C)C)CO	MCULE-3507491652,EMOLS-id_258182430	256.368	JGHWBJKUXXAFFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030405
CCC/C=CCC1=C(C)c2c(C1)c(C)c(o2)/C=CC	PC-id_144907326	256.383	SVDVXOMDTXECQQ-BLQKWXTKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030406
CCCCCC1(Sc2c(C1)scc2)C(=O)O	SCHEMBL10739651,PC-id_57009173	256.384	OQLJXAOVKCRHLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030407
CN(CCNC(=O)c1sc2c(c1)CSC2)C	PC-id_20864696,ChEMBL-DNDi_CHEMBLC574-0052	256.388	OOJMPSCYIUGYSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030408
SC(C(=O)Nc1sc2c(n1)CCC2)C(C)C	PC-id_107025681	256.388	BJIMAZVONDHBME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030409
CCSCCC(c1sc2c(n1)CCC2)NC	PC-id_116504461	256.431	SVELRGPKFHRUMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030410
CCSCC(NCc1sc2c(n1)CCC2)C	PC-id_115887766	256.431	GMASGMLZGXYBDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030411
CSCCC(c1sc2c(n1)CCC2)NCC	EMOLS-id_38237278,PC-id_61332397	256.431	XSCUQCWXWBOENG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030412
CSCCCC(c1sc2c(n1)CCC2)NC	PC-id_103089573	256.431	KPTWUJSGLAHNJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030413
CSCCCCNCc1sc2c(n1)CCC2	PC-id_115887596	256.431	MUIDGAODIKMPAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030414
CSCCCNC(c1sc2c(n1)CCC2)C	PC-id_115869701	256.431	LHOPSJGVHSWFDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030415
CSC(CCNCc1sc2c(n1)CCC2)C	PC-id_115887387	256.431	ASTOROMTQSIAME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030416
CSCC(CNCc1sc2c(n1)CCC2)C	PC-id_115887519	256.431	FEBXPKGWUHEOBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030417
CSCCC(NCc1sc2c(n1)CCC2)C	PC-id_115887608	256.431	VBLXAUQBSIYTNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030418
CSCC(NC(c1sc2c(n1)CCC2)C)C	PC-id_115869707	256.431	PVOYNPQPRGNTRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030419
CSC(CNCc1sc2c(n1)CCC2)(C)C	PC-id_115887771	256.431	LBYDBMCKCBOYEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030420
CSCC(NCc1sc2c(n1)CCC2)CC	PC-id_115899845	256.431	MAGTXSSDBCINFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030421
CSC(CNC(c1sc2c(n1)CCC2)C)C	PC-id_115997498	256.431	BLGYDJUITWRVHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030422
s1c2[C@](O)([C@@](O[Si](C)(C)C)(Cc2cc1)C)C	PC-id_11207599	256.436	ZYRFUPQHPRJSLT-RYUDHWBXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030423
s1c2C(O)(C(O[Si](C)(C)C)(Cc2cc1)C)C	PC-id_72751119	256.436	ZYRFUPQHPRJSLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030424
CC([Si](OC1CCc2[n+]1csc2)(C)C)(C)C	PC-id_101706006	256.46	IOSONLDMBDIIPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030426
CCOC(=O)Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331014069,MCULE-3903488797	256.729	LEMXMRIEXSOYFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030427
CCOC(=O)Cn1nc(CCl)c2C(C)CCc12	MCULE-1156063802,EMOLS-id_331028742	256.729	APIKHBFRVPATOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030428
ClCCCC(=O)N(Cc1n2CCCc2nn1)C	EMOLS-id_39738226,PC-id_63307690	256.732	FBNPQPGIVGVKHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030429
ClCCCC(=O)NC(c1n2CCCc2nn1)C	PC-id_63307540,EMOLS-id_39737666	256.732	ZCRFZYPLYBKJPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030430
ClCC(C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_55110905,EMOLS-id_39327760	256.732	VDIKQOOTDZQGTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030431
ClCC(C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_62726802	256.732	UEPLMZOKLLFQOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030432
ClCC(=O)NC(c1nnc2n1CCC2)C(C)C	MCULE-1841133735	256.732	FNRPXKFJXBUCJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030433
O=C1NCC(C1)NC1CCc2c1cc(s2)Cl	PC-id_106182952	256.752	DIHCBCSOFJHJCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030434
O=C(N1CCC1)NC1CCc2c1cc(s2)Cl	EMOLS-id_102733749	256.752	SGTPNNRYPUWUIF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030435
Clc1sc2CCC(Nc3sccn3)c2c1	PC-id_81252817	256.775	IUJORWNOKMDNNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030436
CC(C1Cc2c(C1)cc(s2)C(C(=O)Cl)C)C	SCHEMBL11532744	256.791	OTJDTVOVZBPAGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030437
Clc1sc2c(C(NC3CCN(C3)C)CC2)c1	PC-id_81252697	256.795	MDUKWNHENBPSHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030438
Clc1sc2c(C(NN3CCCCC3)CC2)c1	PC-id_83007566	256.795	TUVZNICKYSXWGW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-030439
C12=C(SN=N1)I=NS2	PC-id_149467346	256.858	ZARHBSQUPGPDCJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-030440
Cc1c(C)sc2c1C=C(C2[Si](Cl)(C)C)C	SCHEMBL1825673,PC-id_21058378	256.867	OXSVRHZUZRTWTK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030441
CC(=O)N1CC(=O)c2c1cc(n2C)Br	PC-id_96259539	257.084	KFRJXWPAFBSLPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030442
CN1C=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)[O-]	PC-id_153806069	257.093	CWQMWCYKYMHGHX-UHFFFAOYSA-M	00000010110000000000000010000000000000000000000000000000	25-01-030443
CCCCC1(CC2=C(C1)SC(=N2)Cl)CCC	PC-id_155179942	257.1	RNVJPZZABHEYRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030444
CCCC1=Cc2c(C1)p(c(c2)Br)C	SCHEMBL2957770	257.107	KYZSYVJFIRRMPI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030445
CCCC1=Cc2c(C1)p(cc2Br)C	SCHEMBL2971146	257.107	GFEXCZJEVRLMGR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030446
C1CN2C=CN=C2C1CCC3=NC=CC(=C3)C(=O)O	PC-id_161389837	257.116	VSVMVBCXAGPMMM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030447
COC(=O)C1=CC=C(C=C1)CC2=NN3CCCC3=N2	PC-id_164875477	257.116	VTZRNJXYMQYMLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030448
Clc1c2CCCc2sc1S(=O)(=O)Cl	PC-id_84805503	257.157	PQMJJIPBZUJGMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030449
Brc1c2c([nH]c1C(C)(C)C)CN(C2)C	PC-id_84805508	257.17	LWOICNDVMFZGKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030451
Brc1c2n(nc1CCCCC)CCC2	SCHEMBL4211080,PC-id_68957310	257.17	MUPDLJWWFUCKSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030452
Brc1n(cc2C(CCc12)CN)C(C)C	PC-id_83913179	257.17	CVKGMUSDTMLHRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030453
Brc1n(cc2C(NC)CCc12)C(C)C	PC-id_83913180	257.17	YWCIZOOZAVATMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030454
c12CCC(C)c1c(nn2C(C)C)CBr	MCULE-4904000209,EMOLS-id_331033355	257.17	HHPJTVKTPOBQJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030455
c12CCC(C)c1c(nn2C(C)CC)Br	MCULE-7325418649,EMOLS-id_330969593	257.17	METCZMPSRITIBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030456
c12C(C)CCc1n(nc2Br)CC(C)C	EMOLS-id_330971894,MCULE-6513824574	257.17	SBGCUCNFWQNRCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030457
c1(Br)c2C(C)CCc2nn1C(C)(C)C	MCULE-4408044856,EMOLS-id_331019946	257.17	LQVBBTDSDSGZEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030458
c1(Br)c2C(C)CCc2nn1C(C)CC	MCULE-8850059402,EMOLS-id_331018401	257.17	CJNUSAMNTZOTQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030459
c1(CBr)c2C(C)CCc2nn1C(C)C	MCULE-4186374233,EMOLS-id_331017658	257.17	PPIOTJQEPRQCKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030460
CC1CCc2c1c(Br)nn2C(C)(C)C	MCULE-6592874454,EMOLS-id_330971128	257.17	JSPMSMXUSHLROE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030461
CC(C)(CBr)Cc1n[nH]c2CCCc12	MCULE-3202459013,EMOLS-id_314033602	257.17	HKHBDWVLLTVUCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030462
CC(C)Cn1nc2CCC(C)c2c1Br	EMOLS-id_331020712,MCULE-7655322516	257.17	JSDWJJRANJXFDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030463
CCCn1nc2CCC(C)c2c1CBr	EMOLS-id_331015099,MCULE-3065911958	257.17	NOAPFLJBZJHIHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030464
CCCn1nc(CBr)c2C(C)CCc12	MCULE-8362843506,EMOLS-id_331030796	257.17	MLKQEUJICFYFCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030465
CC1=C(C)c2c(C1C)c(c(s2)Br)C	PC-id_142613462	257.19	GUWYGSXMGQDGGC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030466
CC1=C(C)c2c(C1C)c(c(s2)C)Br	PC-id_142613464	257.19	BNYDIUAFMROOLX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030467
CC1=C(C)c2c(C1C)sc(c2Br)C	PC-id_142613455	257.19	VWFNENXQGBPKGX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030468
O=C(C(=O)O)Nc1sc2c(c1C(=O)O)CCO2	SCHEMBL7540375,PC-id_57134044	257.22	QLTYLHJAIRGXGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030469
S1CCc2c1oc(NC(=O)C(=O)O)c2C(=O)O	PC-id_10131316	257.22	FMXZHWFJCZQZIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030470
c1(C(=O)NC2CC2)c2COCc2nn1CC(F)F	MCULE-4577485434,EMOLS-id_324400732	257.237	CMRZDUHMCFOGQY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030471
OC(=O)N1Cc2c(C1)cn(n2)CC1CC(C1)(F)F	PC-id_118469314,SCHEMBL17202434	257.237	GNNLAIQKKJZQHT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-030472
COc1ccc(cc1)C(=O)c1cc2c([nH]1)CC(=O)O2	PC-id_18424142,SCHEMBL7674747	257.241	LRRMKICYVHNHJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030473
CCC1(Oc2n(C1)cc(n2)[N+](=O)[O-])C(OC)OC	SCHEMBL5537078,PC-id_23081576	257.243	FVYBPAOFXDDLEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030474
COCOCC1(CC)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5537075,PC-id_69479737	257.243	ZSPLNZIKUGOWKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030475
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCOCOC)C	SCHEMBL5545221,PC-id_23081490	257.243	DJVAALZLSSIDGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030476
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1	PC-id_135629414,EMOLS-id_24575335,SPECS-id_AN-153/NB21565,STOCK6S-66927,MCULE-5088096858	257.248	MJZNSZUDWGZFCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030477
c1coc(c2nnc(CN3CCn4ccnc34)o2)c1	PC-id_146139313,ZINC22_931529046	257.248	LRERCWCDAVAXGI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-030478
c1coc(c2noc(CN3CCn4ccnc34)n2)c1	PC-id_146139314,ZINC22_931528174	257.248	VWGJKHSCIDPPQX-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-030479
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccccc1	PC-id_135901785,ZINC22_20717848	257.248	MJZNSZUDWGZFCE-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030480
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccccc1	ZINC22_20717852,PC-id_135901786	257.248	MJZNSZUDWGZFCE-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-030481
c12CN(Cc1nn(CCC)c2C#C)CC(F)(F)F	MCULE-3182207989,EMOLS-id_324357999	257.255	NNUXFGXKGYEVMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030482
Fc1ccc(cc1)/C=C/1CCc2c1cc([nH]2)C(=O)O	PC-id_44125117,SCHEMBL1004286	257.26	LZSDJNATCRAQNA-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030483
Fc1ccc(cc1)/C=C
/CCc2c1cc([nH]2)C(=O)O	PC-id_66874544,SCHEMBL1006703	257.26	LZSDJNATCRAQNA-YFHOEESVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030484
Fc1ccc(cc1)C=C1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1004287,PC-id_66873535	257.26	LZSDJNATCRAQNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030485
FC(c1nnc(s1)NC1CCn2c1ncc2)F	MCULE-3808054828,EMOLS-id_320252901	257.263	LOTCEQHGIAJBCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030486
C1CC1S(=O)(=O)n1cc2CN(Cc2n1)C(=O)O	PC-id_135314415,SCHEMBL20483601	257.266	WYIBIHIMVUTMHJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030487
N#Cc1c(F)cccc1NCc1nnc2n1CCC2	PC-id_71943557,MCULE-9418076217,EMOLS-id_44493061,ZINC22_73350035	257.266	IISMOLNCLRMJOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030488
OC(=O)CONC(=O)Nc1sc2c(n1)CCC2	PC-id_116286652	257.266	YODKVJIISBYCJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030489
OC(=O)N1Cc2c(C1)cnn2S(=O)(=O)C1CC1	SCHEMBL827176,PC-id_66810552	257.266	HGFLORDHVZSLOB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030490
CCCCC(=O)c1nn2C(CCc2n1)C(C)(F)F	SCHEMBL20228711,PC-id_134577333	257.28	QGXLLPXBHLDELZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030491
CCCC(=O)c1nc2n(n1)C(CC2)C(CC)(F)F	PC-id_135136308,SCHEMBL20282776	257.28	SIYINMYBDPYDSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030492
CC(C)n1c2c(CN(C2)C(=O)C)c(n1)C(C)(F)F	PC-id_90162101,SCHEMBL15723687	257.28	FJMSRKOPOHIMQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030493
FC(C(C(=O)NCc1cnc2n1CCC2)(C)C)F	EMOLS-id_319532976	257.28	AOTPOZZICQGYFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030494
FCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_121946361	257.281	NYSNBCIXQPJOQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030495
OC(=O)C1CCn2c1ccc2C(c1ccccc1)O	PC-id_143255318	257.284	RVLZPDOBDWGHQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030496
o1c2c(CCC2)c(c1N)C(=O)c1ccc(OC)cc1	PC-id_83447132	257.285	JXVVYKPGKDDMHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030497
o1c2c(CCC2)c(c1N)C(=O)c1cc(OC)ccc1	PC-id_83447134	257.285	FJOVKBRHPCLMGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030498
o1c2c(CCC2)c(c1N)C(=O)c1c(OC)cccc1	PC-id_83447133	257.285	JLWUFWULICGLHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030499
o1c(c2c(CCC2)c1C[N+](=O)[O-])Cc1ccccc1	PC-id_56652178	257.285	KOHATKQUZYVFEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030500
O(C1Cc2[nH]c(cc2C1)C(=O)O)Cc1ccccc1	PC-id_68402316,SCHEMBL12844477	257.285	FUTOQOPLOMRWKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030501
O(C1CCc2c1[nH]c(c2)C(=O)O)Cc1ccccc1	PC-id_70290286,SCHEMBL8156045	257.285	ZXSYFQWEPKHURZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030502
O(C1CCc2[nH]c(cc12)C(=O)O)Cc1ccccc1	PC-id_70293046,SCHEMBL8168408	257.285	FGKYUOYXZHBSBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030503
Oc1cccc(c1)CC1CCc2c1[nH]c(c2)C(=O)O	SCHEMBL1006648,PC-id_59180237	257.285	BOJSVBQHTVMLCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030504
O(c1n2CCC(c2cc1)C(=O)O)Cc1ccccc1	PC-id_70358765,SCHEMBL10398047	257.285	CHSCEZDITMKYHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030505
O([C@H]1Cc2[nH]c(cc2C1)C(=O)O)Cc1ccccc1	PC-id_57659824,SCHEMBL12777481	257.285	FUTOQOPLOMRWKS-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030506
O([C@@H]1CCc2c1[nH]c(c2)C(=O)O)Cc1ccccc1	PC-id_57659933,SCHEMBL12777470	257.285	ZXSYFQWEPKHURZ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030507
O([C@H]1CCc2[nH]c(cc12)C(=O)O)Cc1ccccc1	SCHEMBL12777484,PC-id_57659932	257.285	FGKYUOYXZHBSBT-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030508
C1Cc2c(cnn2C1)NC(=O)OCc1ccccc1	SCHEMBL15528395,PC-id_90010687	257.288	NMEFQHZFAXAWIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030509
C1C(C(c2nccn12)N)C(=O)OCc1ccccc1	SCHEMBL20177555,PC-id_134531927	257.288	VNJMDBGTBWLCNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030510
c1(C(=O)c2ccc(cc2)OC)n2CCCc2nc1N	ZINC22_4342673,PC-id_5200285,MCULE-5952048111,TIMTEC78666,EMOLS-id_2720995	257.288	BLKKZMGIZGGJNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030511
c1(C(=O)Nc2ccccc2OC)c2CCCc2[nH]n1	EMOLS-id_179744802,PC-id_110388912,MCULE-5937835734	257.288	CKHRFNMGQAPVNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030512
c1(C(=O)Nc2ccc(cc2O)C)c2CCCc2[nH]n1	MCULE-6657057023,EMOLS-id_334960192	257.288	WVHAWYTWEMGWDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030513
c1(C(=O)Nc2ccc(cc2)OC)c2CCCc2[nH]n1	PC-id_5300660,ZINC22_4625933,EMOLS-id_2584501,MCULE-9277402863	257.288	SPWRLUOIGNTQQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030514
c1(C(=O)Nc2ccccc2OC)cn2c(CCC2)n1	EMOLS-id_321297626,MCULE-2054478080	257.288	BTSBZWBOZHYELO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030515
c1(C(=O)Nc2cc(C)ccc2O)c2CCCc2[nH]n1	EMOLS-id_334991683,MCULE-7886534534	257.288	JMDQSBDGCPVUGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030516
c1(C(=O)Nc2cccc(OC)c2)c2CCCc2[nH]n1	MCULE-1269134175,PC-id_110388913,EMOLS-id_179744805	257.288	GKTABUJSSFASOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030517
c1(C(=O)Nc2cccc(OC)c2)cn2c(CCC2)n1	EMOLS-id_321297882,MCULE-4781452775	257.288	ALUOZVBGJQUTKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030518
c1(C(=O)Nc2ccc(OC)cc2)cn2c(CCC2)n1	EMOLS-id_321298138,MCULE-5721722253	257.288	VTIUKEGIOLWFMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030519
Cc1cc(C)nc(NC(=O)c2occ3c2CCC3)n1	ZINC22_585085335	257.288	QTCMKHYSFRAFAP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030520
Cc1ccnc(n1)CNC(=O)c1occ2c1CCC2	EMOLS-id_319800203	257.288	WSNXHPMFBOMAPY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030521
Cc1cc(O)ccc1NC(=O)c1n[nH]c2c1CCC2	MCULE-2877854788,ZINC22_76083820,EMOLS-id_43392436,PC-id_72116922	257.288	YERBFHGKXHKPLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030522
CC1N(Cc2cn[nH]c12)C(=O)OCc1ccccc1	PC-id_134714773,MCULE-1559357884,EMOLS-id_316173920	257.288	NBUUGVPPYZFMPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030523
CC(c1cnccn1)NC(=O)c1occ2c1CCC2	EMOLS-id_318822482	257.288	MMGVCXKLUSPHTO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030524
C[C@H]1N(Cc2[nH]ncc12)C(=O)OCc1ccccc1	EMOLS-id_337429980	257.288	XSYCRSMZGWODTN-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030525
C[C@@H]1N(Cc2[nH]ncc12)C(=O)OCc1ccccc1	EMOLS-id_337430492	257.288	XSYCRSMZGWODTN-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-030526
CCOc1ccc(C(=O)N2CCn3ccnc23)cc1	EMOLS-id_177345587,ZINC22_585122421,MCULE-8352680837	257.288	COLRFXCRHIRDRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030527
CNc1ccc(cn1)NC(=O)c1occ2c1CCC2	EMOLS-id_319459906	257.288	BXVMSARJFGLGDR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-030528
CN(C(=O)c1occ2c1CCC2)Cc1ncccn1	EMOLS-id_318989120	257.288	SCYDMQFKGQNMNQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030529
COc1cccc(c1)C(=O)N1Cc2c(C1)cnn2C	PC-id_122154936	257.288	LZQQUCDKOLBOAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030530
COC(=O)C1CCc2n1c(nn2)Cc1ccccc1	SCHEMBL4515035,PC-id_69075036	257.288	SUGKESGCTCUKMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030531
Nc1cccc(n1)CNC(=O)c1occ2c1CCC2	EMOLS-id_319371787	257.288	SCRWRMUUKGRZQH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-030532
o1nc2CCCc2c1NC(=O)Nc1ccc(cc1)C	PC-id_58664470	257.288	GCPBLZXVGHDNQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030533
Oc1ccc(c(c1)C)CC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319369681	257.288	BWCBGUXZJRYWAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030534
Oc1cccc(c1)CCC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319644419	257.288	SDLXXSZZRGYNDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030535
Oc1cccc(c1)CCC(=O)N1CCn2c1ccn2	EMOLS-id_319305990	257.288	UAGKYOVSNIPKFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030536
Oc1ccc(c(c1)C)CC(=O)N1CCn2c1ccn2	EMOLS-id_319562069	257.288	GXLMTKAONQMVSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030537
Oc1ccc(c(c1)C)CC(=O)N1CCn2c1ncc2	EMOLS-id_319618273	257.288	NYGHIFRPPDVCMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030538
Oc1cccc(c1)CCC(=O)N1CCn2c1ncc2	EMOLS-id_319784659	257.288	VMGWWCXGOZRCFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030539
OCc1ccc(cc1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319681151	257.288	FGEGBJHXSIRSCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030540
OCc1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	PC-id_110910863	257.288	FBLKSKWZXOEHQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030541
O=C(c1ccccc1O)NCc1cnc2n1CCC2	EMOLS-id_317944148	257.288	OKZWTIUKUMSXHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030542
O=C(c1ccccc1O)NCc1n[nH]c2c1CCC2	EMOLS-id_319142104	257.288	GXIUUWSTFNYCOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030543
O=C(c1occ2c1CCC2)N1CC(C1)c1n[nH]cc1	EMOLS-id_318772461	257.288	OWRFVAPWFSLUJR-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-030544
O=C(c1occ2c1CCC2)NC1(CC1)c1ncc[nH]1	EMOLS-id_319359034	257.288	SEKGEZWDODSZKQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-030545
O=C(c1occ2c1CCC2)NCCc1ncccn1	EMOLS-id_319294929	257.288	JFTGBXYKMIWASG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030546
O=C(Nc1cn2c(n1)CCC2)OCc1ccccc1	SCHEMBL18463685	257.288	LHTZXWHUNYEFGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030547
O=C(Nc1nn2c(c1)CCC2)OCc1ccccc1	PC-id_141731725	257.288	BZVJUUTVQNEYEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030548
O=C(Nc1n[nH]c2CCCc12)c1ccc(OC)cc1	PC-id_9965009	257.288	ATEFBTKOPUKYGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030549
OC(=O)c1nn(c2CN(Cc12)Cc1ccccc1)C	PC-id_83680010	257.288	NWCPRJIYCHKJDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030550
OC(=O)c1n(nc2CN(Cc12)Cc1ccccc1)C	PC-id_83870634	257.288	XGUNLBYEKMYRAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030551
OC(=O)Cc1n[nH]c2CN(Cc12)Cc1ccccc1	PC-id_83870574	257.288	LKFAPGPIKJXROM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030552
c1(c2CCCc2n[nH]1)C(=O)N1CC(C1)n1cccn1	ZINC22_369269914,MCULE-4817748545,EMOLS-id_82737433,PC-id_119072607	257.291	KCDIORZLSBEKNE-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-030553
Cc1cccc(C(=O)NCc2nnc3n2CCC3)n1	ZINC22_26949124,EMOLS-id_31881217,PC-id_34241476,CoCoCo_4684953,MCULE-8741302957	257.291	AWNKJUSTJMGVEN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030554
Cc1ccc(nn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318844147	257.291	MLDRBMUCAYTJQF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030555
Cc1ccc(nn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319791077	257.291	MHTDVHMQXRFGTG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030556
Cc1cc(nc(c1)C)NC(=O)N1CCn2c1ncc2	EMOLS-id_319196234	257.291	KSAITNJHVXTDOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030557
Cc1ccnc(n1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_258109827,MCULE-9020504880	257.291	HRQOZZHSPYDXDL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030558
Cc1ccnc(n1)CNC(=O)c1n[nH]c2c1CCC2	MCULE-6538448637,EMOLS-id_319873746	257.291	HROLQXYQGNCTCY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030559
Cc1ccnc(n1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_99982357	257.291	GDDANAPMYXEGPE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030560
Cc1ccnc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319452315	257.291	HQHWRNFWNPZSIY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030561
Cc1ccnc(n1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-3005185229,EMOLS-id_319967657	257.291	BJOSRVAKZWEGFQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030562
Cc1cnc(cn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319712657	257.291	ABZXBCFTWBVBBZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030563
Cc1nc(C)nc(c1)C(=O)NC1CCn2c1ncc2	EMOLS-id_320314909,MCULE-2601296930	257.291	FNDPNOXTRVBLLW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030564
CCc1ccncc1NC(=O)N1CCn2c1ncc2	EMOLS-id_318927137	257.291	OIEJXGCEFVECFR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030565
CC(c1ncccn1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319687498	257.291	BKTCMBNVKGBDSW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030566
CC(c1ncccn1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318816416	257.291	HRVWUMAJGNNJGM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030567
CC(c1nccnc1)NC(=O)c1cnn2c1CCC2	EMOLS-id_319028166	257.291	PUDHVNVECWUUPC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030568
CC(c1nnc2n1CCC2)NC(=O)c1ccccn1	EMOLS-id_35691642,MCULE-9000457631,PC-id_53517554	257.291	VRYYRHIEMJGKDY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030569
CC(c1nnc2n1CCC2)NC(=O)c1ccncc1	EMOLS-id_36261821,PC-id_53525547,MCULE-7270775291	257.291	KTHPYHWFPMMGBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030570
C#CCCC1(CCC(=O)N2CCn3nccc23)N=N1	ZINC22_952880645	257.291	CVMQUMXYLAXICT-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-030571
CCCn1nccc1C=C1C(C)n2c(C1=O)ncn2	EMOLS-id_316553514	257.291	CPUCUCLKSVPICU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030572
C[C@H](NC(=O)c1ccccn1)c1nnc2n1CCC2	PC-id_95155742,ZINC22_65590661	257.291	VRYYRHIEMJGKDY-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-030573
C[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCC2	ZINC22_65590663,PC-id_95155743	257.291	VRYYRHIEMJGKDY-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030574
CCNc1cccnc1C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318375263	257.291	WYHSDHQHDJVOQB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030575
CCNc1cccnc1C(=O)N1CCn2c1ccn2	EMOLS-id_319054668	257.291	HYVHOGXEPZMTLM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030576
CNc1ccc(cn1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319221987	257.291	ABWUMOUBQHAHEX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030577
CNc1ccc(nc1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318768591	257.291	NGXCFABZTWCNAQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030578
CN(c1cccnc1C(=O)N1CCn2c1ccn2)C	EMOLS-id_316551759	257.291	ZPDBQFBJMTYZJS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030579
CNc1ccc(nc1)C(=O)NC1CCn2c1ncc2	EMOLS-id_319292230	257.291	NXBGNCKQBAUIAK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030580
CNc1ncccc1C(=O)NC1CCn2c1cnc2	MCULE-5163287312,EMOLS-id_317048592	257.291	VDJRVOIBWWKDBN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030581
CNc1ncccc1C(=O)N[C@H]1CCn2cncc12	ZINC22_1335982984	257.291	VDJRVOIBWWKDBN-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-030582
CNc1ncccc1C(=O)N[C@@H]1CCn2cncc12	ZINC22_1335982985	257.291	VDJRVOIBWWKDBN-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030583
CNc1nc(C)ccc1C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_257956067,MCULE-6104776978	257.291	KRPHZHGKQDGIQJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030584
CNc1nc(C)ccc1C(=O)N1CCn2c1ncc2	MCULE-3054304236,EMOLS-id_319882132	257.291	RIYHCJKPMSTCIO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030585
CN(Cc1nnc2n1CCC2)C(=O)c1ccccn1	MCULE-8804564796,PC-id_53514344,EMOLS-id_35706514,ZINC22_42749664	257.291	WGSYVAMQVPISAI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030586
CN(Cc1nnc2n1CCC2)C(=O)c1cccnc1	ZINC22_42749731,PC-id_53514983,EMOLS-id_35706636,MCULE-9918208392	257.291	JQEPXCWNCTXPKN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030587
CN(C(=O)c1cnn2c1CCC2)Cc1ncccn1	EMOLS-id_319428519	257.291	XLHOSDHGHWJMIC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030588
CN(C(=O)c1n[nH]c2c1CCC2)Cc1ncccn1	EMOLS-id_319839596	257.291	KPHLMNSATUEDCD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030589
Nc1cccc(n1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319928622,MCULE-7005129847	257.291	LPUDLAOWCILSMG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030590
Nc1cccc(n1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_319454607	257.291	QFXNMJMTTSWRAQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030591
Nc1cccc(n1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319346087	257.291	AQOCYSKOPAXRPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030592
Nc1cccc(n1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_319613064	257.291	CXTONMDATWUEDK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030593
Nc1nccc(c1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319270124	257.291	QWBCHNBXDQMQDU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030594
Nc1nccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319310336	257.291	FBIVSXMPERBUBC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030595
N#Cc1ccc(o1)CNC(c1nnc2n1CCC2)C	PC-id_115652010	257.291	KYXAJBONVNHECX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-030596
O=C(c1ccnnc1C)NCc1cnc2n1CCC2	EMOLS-id_318926740	257.291	RDWUJVRPNULDND-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030597
O=C(c1cn2c(n1)CCC2)NC(c1cnccn1)C	EMOLS-id_319396846	257.291	FRAOUZDGFWBOPG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030598
O=C(c1cnc2n1CCC2)NC1(CC1)c1ncc[nH]1	EMOLS-id_319556481	257.291	DPHADVOQTMSHMI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-030599
O=C(c1cnn2c1CCC2)NCCc1ncccn1	EMOLS-id_318853506	257.291	OZRYOKSKJNPQHS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030600
O=C(C1NCc2c1c[nH]n2)Nc1ccc(nc1C)C	MCULE-1176552197,EMOLS-id_320116778	257.291	RGQWGUJITBHIHG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030601
O=C(C1NCc2c1c[nH]n2)Nc1cnc(c(c1)C)C	EMOLS-id_319784601	257.291	MGDDUKNPYASZDW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030602
O=C(C1NCc2c1c[nH]n2)NCc1cccnc1C	EMOLS-id_319360378	257.291	AIKLHKVGXHZRGL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030603
O=C(c1ncccc1N)NCc1cnc2n1CCC2	EMOLS-id_317944642	257.291	OPJOENRMOKWPAF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030604
O=C(c1ncccc1N)NCc1n[nH]c2c1CCC2	MCULE-1032464532,EMOLS-id_319956428	257.291	NZPWXKQMCOIRNF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030605
O=C(c1[nH]c2c(c1)CCC2)N1CC(C1)c1nc[nH]n1	EMOLS-id_319876953	257.291	ZYPUJTFKSAMFKM-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-030606
O=C(c1n[nH]c2c1CCC2)N1CC(C1)c1n[nH]cc1	EMOLS-id_319097638	257.291	KNWBZHSMAMFWCG-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-030607
O=C(c1n[nH]c2c1CCC2)NC1(CC1)c1ncc[nH]1	MCULE-5446376190,EMOLS-id_320236438	257.291	ACKKENLEMSXHRI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-030608
O=C(N1CCn2c1ccn2)c1cnn(c1)CC1CC1	EMOLS-id_316669996	257.291	UBFZOFZYECVHNP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030609
O=C(N1CCn2c1ncc2)c1cnn(c1)CC1CC1	EMOLS-id_278170093	257.291	KEAHNDGLOUPRMA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030610
O=C(N1CCn2c1ncc2)Nc1ccc(nc1C)C	EMOLS-id_319827671,MCULE-5765257454	257.291	ZOXDKAMBLYNIAF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030611
O=C(N1CCn2c1ncc2)Nc1c(C)cncc1C	EMOLS-id_319253100	257.291	YVGGPISHBOWWDD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030612
O=C(NCc1n2CCCc2nn1)c1ccc(N)cc1	PC-id_52024773	257.291	IEWCVAIWYCHHIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030613
O=C(NCc1n2CCCc2nn1)c1cc(N)ccc1	PC-id_52024772	257.291	KUQCCSFLRAGEMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030614
O=C(NCc1n2CCCc2nn1)c1c(N)cccc1	PC-id_52024771	257.291	NEGLCBHADNGWKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030615
O=C(NCc1nnc2n1CCC2)Nc1ccccc1	CoCoCo_4490688,EMOLS-id_19947169,PC-id_24612538,ZINC22_10464432,MCULE-8051024969	257.291	CJCHEZJPVHEVPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030616
O=C(NCCc1ncccn1)c1cnc2n1CCC2	EMOLS-id_319232987,ZINC22_1875295284	257.291	DKKQFBGYQQNTEV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030617
O=C(NN=Cc1n(ccc1)C)c1n[nH]c2CCCc12	PC-id_3684196	257.291	HXIKZRLLCOHWQI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-030618
F[C@@H]1CN(C[C@@H]1F)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102810649	257.3	BEQOPFUTAZRUQJ-DTORHVGOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030619
O=C(N1CCC(C1)(F)F)c1sc2c(c1)CCC2	EMOLS-id_102397940	257.3	MDQFWVXRRYQPNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030620
O=C(c1[nH]cc2c1CS(=O)(=O)C2)OC(C)(C)C	PC-id_101707002	257.306	WXRIAIITPRCJKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030621
OC(=O)Cn1c(=O)sc2c1C(C)(C)OC2(C)C	EMOLS-id_315477280,PC-id_79927512	257.306	OTWITGKQYCDBMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030622
S1(=O)(=O)Cc2c([nH]c(c2CC(=O)O)C(C)C)C1	PC-id_84805558	257.306	RAYRZTYLODXLDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030623
S1(=O)(=O)Cc2c([nH]c(C(C)(C)C)c2C(=O)O)C1	PC-id_84805557	257.306	RWXQCEYKMYUQGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030624
N#Cc1ccc(cc1)C(c1sc2c(c1)COC2)O	PC-id_117836435,SCHEMBL16418920	257.308	DOSNNQIDKCPMEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030625
CC1(O)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97934348	257.309	HIPAFEKXTCQPTF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-030626
CCCC(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057251	257.309	NWRIHFDPCZAZCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030627
CCn1c2CN(Cc2nc1S(=O)(=O)C1CC1)O	SCHEMBL17380138,PC-id_118613882	257.309	GYOKSDGZPJGHNQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030628
COC1CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100237939	257.309	KRCOJKRKDUYJCS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-030629
COCC1(CC1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316609852	257.309	GKADOMXTJXWNFM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030630
O=c1n(CC2CCCN2)[nH]c2c1CS(=O)(=O)C2	PC-id_105512350	257.309	SIAIAHAKZXKTCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030631
O=c1n(CC2CCNC2)[nH]c2c1CS(=O)(=O)C2	PC-id_105512349	257.309	LTGAALWERPMBLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030632
O=C(C(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110420974	257.309	HEBWOMGRTVHLGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030633
O=S(=O)(c1cnc2n1CCC2)N1CCCCO1	EMOLS-id_97691544	257.309	FFVJGRRDZOZYCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030634
O=S(=O)(c1cnc2n1CCC2)N1CCOCC1	EMOLS-id_100194699	257.309	NVKISXIRYKCPFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030635
O=S(=O)(n1nc2c(c1)CCC2)N1CCOCC1	SCHEMBL19196188	257.309	CQAFCTVBFFVMOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030636
s1c2CNCc2nc1NC(=O)COCCOC	PC-id_82194078	257.309	BPFRAVWYHGJGJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030637
S1(=O)(=O)Cc2c(nn(c2NC(=O)C)C(C)C)C1	PC-id_59050138	257.309	RAFVCGLKPUVFOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030638
C1(C#N)(CC1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328184296,MCULE-2699710555	257.311	ZEFPARNOIQJFPN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030639
Cc1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324840940	257.311	AWXSNHAXLDJGSX-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030640
Cc1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324839915	257.311	VIJUVWCZPDNOMU-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030641
Cc1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324840172	257.311	YFWAZNUZGUZREO-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030642
CCc1ccc(/C=c/2sc3ncnn3c2=O)cc1	ChEMBL-DNDi_CHEMBL5629-0741,ZINC22_16248057,EMOLS-id_2451445	257.311	JEWOSLNSDJTIOV-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030643
CCc1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_208393	257.311	JEWOSLNSDJTIOV-YRNVUSSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030644
CCc1ccc(C=c2sc3ncnn3c2=O)cc1	ZINC22_254822532,EMOLS-id_300076365,MCULE-8589386928	257.311	JEWOSLNSDJTIOV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030645
CCc1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324842212	257.311	UTECPBNNLZZDII-NTMALXAHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030646
n12nc(nc1sc(=Cc1ccccc1)c2=O)CC	MCULE-1445794975	257.311	UTECPBNNLZZDII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030647
n12nc(nc1sc(=Cc1ccccc1C)c2=O)C	MCULE-1014490986	257.311	AWXSNHAXLDJGSX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030648
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)C	MCULE-2348634296	257.311	YFWAZNUZGUZREO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030649
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)C	MCULE-7835476817	257.311	VIJUVWCZPDNOMU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030650
[nH]1cccc1C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328130832,MCULE-1245632958	257.311	HDYIHZDAYLCKBB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-030651
S1c2n(nc(n2)/C=C/c2ccc(cc2)C)C(=O)C1	PC-id_82357988	257.311	KUZZNPHRYIOBDG-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030652
N#Cc1nc(Nc2sc3c(n2)CCC3)nc(c1)C	PC-id_107544004	257.314	NUWQJYFEMCAUCM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030653
CC[C@@H]1[C@@H](c2c(C1(F)F)n(nc2N)C(C)(C)C)C	SCHEMBL19788924,PC-id_134186318	257.323	XMUQCCWIVLOFKV-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030654
o1c2c(CCC2)c(C(N)c2ccccc2)c1COC	PC-id_83610068	257.328	GYJPGRZTZPZRGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030655
o1c2c(CCC2)c(C(N)c2ccc(OC)cc2)c1C	PC-id_83610147	257.328	IQTASANKORKFKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030656
OC(=O)c1cc2c([nH]1)CCC2CCC(=C)/C=CC=C	PC-id_143725832	257.328	FYEWSCLPKOHGRG-PLNGDYQASA-N	00000010100000000000000010000000000000000000000000000000	25-01-030657
CCCC1=C(C(=O)N)S(=O)(=O)c2c1ccs2	PC-id_67912741,SCHEMBL9711104	257.329	LGZQDFSIHHEPEQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030658
CCCNC(=O)C1=Cc2c(S1(=O)=O)scc2	SCHEMBL9711099,PC-id_67912740	257.329	XALNTWLRPCNZKG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030659
S1CCc2c1sc(NC(=O)C)c2C(=O)OC	PC-id_2807696	257.329	MHILPRHCQNXNDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030660
S1(=O)(=O)Cc2c(sc(C(=O)NC3CC3)c2)C1	PC-id_6620217	257.329	APNKWBXGKPZCRB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030661
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)OC	MCULE-6900562508,EMOLS-id_330964466	257.331	DPTWUERGPUMBSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030662
Cc1ccc(c(c1OCc1nnc2n1CCC2)C)C	EMOLS-id_319540578	257.331	MPTHNAOJOOWILH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030663
Cc1cc(OCc2nnc3n2CCC3)c(c(c1)C)C	EMOLS-id_319380185	257.331	YLEBQPYEEJOHQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030664
CC(c1ccc(cc1)OCc1nnc2n1CCC2)C	EMOLS-id_320269653,MCULE-7787904915	257.331	HVCXEMYSMMUCSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030665
COc1ccccc1Cn1nc2CCC(C)c2c1N	EMOLS-id_331014051,MCULE-5321017367	257.331	DKXJSDNDYMRISR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030666
COc1ccccc1Cn1nc(N)c2C(C)CCc12	MCULE-4557087060,EMOLS-id_330964982	257.331	RCTKXJJDPGMOEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030667
COc1cccc(Cn2nc3CCC(C)c3c2N)c1	MCULE-9673265144,EMOLS-id_331010978	257.331	AHUQVZLINZVVTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030668
COc1cccc(Cn2nc(N)c3C(C)CCc23)c1	MCULE-3212443059,EMOLS-id_330961909	257.331	XPESFELEDJTYHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030669
COc1ccc(Cn2nc3CCC(C)c3c2N)cc1	EMOLS-id_331009455,MCULE-6218722067	257.331	INRPERODWRIMHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030670
o1nc2C(N(Cc2c1N)Cc1ccccc1)C(C)C	PC-id_83851439	257.331	XTRVXIPSXYXGLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030671
o1nc2C(N(C(c2c1N)C)Cc1ccccc1)(C)C	PC-id_83851441	257.331	UJIFHZKNRSSBHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030672
o1nc(N)c2C(N(C(c12)(C)C)Cc1ccccc1)C	PC-id_83851438	257.331	WOIWSNSNADCTSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030673
o1nc(N)c2CN(C(C(C)C)c12)Cc1ccccc1	PC-id_83851436	257.331	WVINNFMDSIYTRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030674
O=C1n2c(c(cc2C(=C1C#N)N(C)C)CC)CCC	PC-id_16680724	257.331	JZEDHDZEWUMXBC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030675
O=c1[nH]n(c2C(N(Cc12)Cc1ccccc1)CC)C	PC-id_83851445	257.331	NHOSIQMAICQPMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030676
O=c1[nH]n(c2C(N(Cc12)Cc1ccccc1)(C)C)C	PC-id_83851446	257.331	VKCIYNJOZMVZNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030677
O=c1[nH][nH]c2C(N(Cc12)Cc1ccccc1)C(C)C	PC-id_83851443	257.331	LCWBJLJTOAEKRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030678
O=c1[nH][nH]c2C(N(C(c12)C)Cc1ccccc1)(C)C	PC-id_83851442	257.331	OFPHBBURLFNPEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030679
O(CCCn1nc2c(CCC2)c1N)c1ccccc1	PC-id_65348690	257.331	TUZVZHDLWCYGTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030680
N#CC(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_65568868,EMOLS-id_314809536	257.333	BWNQQAYKFHTGMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030681
Cc1ccc(cn1)CNC(c1nnc2n1CCC2)C	PC-id_104748198	257.334	RXTBFGDMDXNYBT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030682
Cc1cc(CNC2CC(n3c2ncn3)C)cc(n1)C	EMOLS-id_320006735,MCULE-9590061086	257.334	YRHVZMGBXTVMSW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030683
Cc1ncc(c(n1)C)CNC1CC(n2c1ncc2)C	EMOLS-id_319952119,MCULE-5376903207	257.334	MYRYYGNPKLVDGM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030684
Cc1nn2CN(Nc2c1)CCCc1ccc(cc1)N	PC-id_135767409,SCHEMBL10569721	257.334	ACBUBTGPDSEIOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030685
CCc1cnc(C)nc1NCc1n[nH]c2c1CCC2	ZINC22_67975584,MCULE-7316835478,PC-id_50984030,EMOLS-id_32435882	257.334	GRTCCZYRHRCIIM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030686
CC(Cc1ncnc(c1)NC1Cn2c(C1)cnc2)C	MCULE-1776035664,EMOLS-id_316942820	257.334	MKFRXPKAGFGCAB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030687
CC(C)Cc1cc(N[C@@H]2Cc3cncn3C2)ncn1	ZINC22_894997055	257.334	MKFRXPKAGFGCAB-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030688
CC(C)Cc1cc(N[C@H]2Cc3cncn3C2)ncn1	ZINC22_894997056	257.334	MKFRXPKAGFGCAB-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030689
CCCCCC(C1NNc2n1cc(c2C#N)C#N)C	SCHEMBL13846990,PC-id_71011987	257.334	PNFQPIHZKZMTDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030690
Cn1nc(c2c1CN(C2)CC1CC1)Cn1cncc1	PC-id_97405308	257.334	HOJPSOBAMXEFIN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-030691
CN(Cc1n[nH]c2c1CCC2)Cc1cccnc1N	EMOLS-id_49878786,MCULE-3948522319,PC-id_77085618	257.334	UWKQMVSUSYZEED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030692
n12CCCc1nnc2C(NC(c1cccnc1)C)C	PC-id_43748141	257.334	BSRWHTOCWKNJRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030693
n12CCCc1nnc2C(NCc1c(ccnc1)C)C	PC-id_81741513	257.334	OOMIJLITQOPPPV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030694
n12CCCc1nnc2C(NC(c1ccncc1)C)C	PC-id_43748140	257.334	XXADJVHXAYCHEB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030695
n12CCCc1nnc2C(NCc1c(N)cccc1)C	PC-id_66417655	257.334	UUSQOXVPGQJIDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030696
n12CCCc1nnc2C(NC(c1ncccc1)C)C	PC-id_43748095	257.334	NRYZDYCFBDVSEF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030697
n12CCCc1nnc2C(NCc1ncc(cc1)C)C	PC-id_80708065	257.334	RMJBKQXJAYNMLR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030698
CCOC(=O)c1c(N)sc2c1C(C(=O)C)C(C2([2H])[2H])([2H])[2H]	SCHEMBL15236781	257.342	GGCJPXAAYNVXRX-CQOLUAMGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030699
S1(=O)(=O)Cc2c(c(oc2C1)C(C)(C)C)CCN	PC-id_84805613	257.349	HVFRIMYENDLCEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030700
Cc1ccc(cc1)C(=O)c1c(N)sc2CCCc12	EMOLS-id_2856247,SCHEMBL133029,PC-id_860207,MCULE-3819746800,CK1755214,CoCoCo_3791285,ZINC22_416184,CHEMBL1779573	257.351	BWHNGJOLVNWJSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030701
s1c2c(CCC2)cc1C(N)c1ccc(cc1)CC	PC-id_43384380	257.394	UDXUOSYBRVNJOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030748
Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	EMOLS-id_24130313,CoCoCo_3244061,PC-id_9038822,MCULE-7726133109,ZINC22_7914387	257.351	JWEDDPWZUPEHCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030702
Cc1ccc(nc1)CC(=O)c1sc2c(c1)CCC2	PC-id_66447881,EMOLS-id_315406624	257.351	PWSWTQORTSMPJL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-030703
Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_3258059,MCULE-1121228041,ZINC22_7651871,PC-id_8760073,EMOLS-id_11822531	257.351	KRRMOSDOVCIHCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030704
CCC1CCc2c1nc(s2)C(=O)c1ccccc1	PC-id_116177054	257.351	UEQCUWCNBPIXCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030705
Nc1ccc(c(c1)C)C(=O)c1sc2c(c1)CCC2	PC-id_64194830,EMOLS-id_314609233	257.351	VUYJDHUMZLCYJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030706
O=C(c1ccc(c(c1)C)N)c1sc2c(c1)CCC2	PC-id_64193076,EMOLS-id_315046749	257.351	FRJLYNGCHAECGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030707
O=C(c1ccccc1)NCc1sc2c(c1)CCC2	PC-id_61948246,EMOLS-id_315112555	257.351	PVYFUFUXUNNJEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030708
O=C(c1sc2c(c1)CCC2)Cc1ncccc1C	PC-id_66446460,EMOLS-id_315401260	257.351	UBCHCCMUJVASPO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-030709
O=C(c1sc2c(n1)C(CC2)(C)C)c1ccccc1	PC-id_79862638,EMOLS-id_260252933	257.351	AFFWNOFJYYOCJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030710
s1c2c(CCC2)cc1C(=O)C(c1ccncc1)C	PC-id_66471239	257.351	PWLYKXAAKFKCME-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-030711
s1c2CCCc2cc1C(=O)C(c1ncccc1)C	PC-id_66448743	257.351	RZFCHNMACNQLLZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-030712
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C	PC-id_8713947	257.351	KPDLFBHGEKFCGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030713
s1c2CCCc2cc1C(=O)NCc1ccccc1	PC-id_8713190	257.351	UGJXUNJHLOHAKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030714
s1c2c(C(CC2)C)c(c1N)C(=O)c1ccccc1	PC-id_65355096	257.351	OCKRRGLDGKGTTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030715
s1c(c2CN(Cc2c1)Cc1ccccc1)C(=O)C	PC-id_82372659	257.351	FGHKNAORXIDFKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030716
CC(c1n[nH]c2c1CN(C2)S(=O)(=O)C(C)C)C	PC-id_118489282,SCHEMBL17229759	257.352	ANGYCVFOPTXOAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030717
CCc1n[nH]c2c1CN(C2)S(=O)(=O)CC(C)C	SCHEMBL17234781,PC-id_118493344	257.352	NOLXTXMACBJWAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030718
CCc1n[nH]c2c1CN(C2)S(=O)(=O)C(C)(C)C	SCHEMBL17234797,PC-id_118493359	257.352	PLBRHSXQOYOJNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030719
CCCCCCS(=O)(=O)n1nc2c(c1)CNC2	SCHEMBL18756713	257.352	BGEIMZNMBGRMHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030720
CC(C)C(COC)Nc1n[nH]c2c1S(=O)CC2	PC-id_89672658	257.352	GZQCMPHRDSQENP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030721
CCC(CS(=O)(=O)N1Cc2c(C1)cnn2C)C	MCULE-6370102432,EMOLS-id_316410889	257.352	RFXKBWPQGRNRDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030722
CC(CNc1[nH]nc2c1CCC2S(=O)(=O)C)C	EMOLS-id_40959504,PC-id_65046664	257.352	NVOUDAMTQAJTHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030723
CCC(S(=O)(=O)N1Cc2c(C1C)[nH]nc2)CC	PC-id_145523828	257.352	FHMQYQAMLWUEAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030724
C[C@@H]1c2cnn(c2CN1C(C)(C)C)S(=O)(=O)C	PC-id_141411273	257.352	BZONIABCULJRAH-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030725
CCn1nc(c2c1CN(C2)S(=O)(=O)C)C(C)C	PC-id_118489320,SCHEMBL17229800	257.352	BDIIHOFBFIYCSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030726
CC(Nc1[nH]nc2c1CCC2S(=O)(=O)C)(C)C	EMOLS-id_40959498,PC-id_65046613	257.352	LEEIBONVUJZGNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030727
COC[C@@H](C(C)C)Nc1n[nH]c2c1S(=O)CC2	SCHEMBL15088396	257.352	GZQCMPHRDSQENP-WFVOFKTRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030728
Nc1n(CCS(=O)(=O)C)nc2c1C(C)(C)CC2	PC-id_79865536,EMOLS-id_42572795	257.352	RLOKSLDXGAAUON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030729
s1c2CCCc2cc1/C(=N/c1ccccc1)/NN	PC-id_61361959	257.354	XTXGAMQPJBDAOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030730
CC(C)(C)OC(=O)c1c(sc2c1CCS2)N	PC-id_135191766,SCHEMBL20344326	257.372	YGPAYJDPCZEWNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030731
CC(C)(C)OC(=O)c1c(sc2c1CSC2)N	PC-id_135188127,SCHEMBL20340293	257.372	HTBGCOQEQWVHFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030732
CCCSCc1nc2c(s1)CCC2C(=O)O	PC-id_104287363	257.372	XBGOHRNEWNUNIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030733
CC(SCc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287278	257.372	JOVKHKQRJZUITN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030734
CSCc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287215	257.372	QZDGSUVKXSWITR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030735
OC(=O)CSc1nc2c(s1)C(CC2C)(C)C	PC-id_106664170	257.372	LQNKVLKIHIEFRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030736
CC(C1CCCCC1)n1nc2CCC(C)c2c1C#N	MCULE-7953200567,EMOLS-id_331002551	257.374	GTOADWMZAXDZPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030737
c1ccc(cc1)CCNCc1sc2c(c1)CCC2	EMOLS-id_314099908,PC-id_61208740	257.394	UZCQBJWKKKPOLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030738
Cc1ccc(cc1)CNCc1sc2c(c1)CCC2	EMOLS-id_314099140,PC-id_61206825	257.394	YCXTZYSHLZYGKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030739
Cc1cccc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_314099396,PC-id_61207013	257.394	KQTDUJDBXJHQIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030740
Cc1ccccc1CNCc1sc2c(c1)CCC2	EMOLS-id_315067778,PC-id_61206639	257.394	UJKMPRGABVIKDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030741
Cc1cc(C)cc(c1)C(c1sc2c(c1)CCC2)N	PC-id_113660907	257.394	CQDUFFHDJLELGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030742
CCc1cccc(c1)C(c1sc2c(c1)CCC2)N	PC-id_105018517	257.394	OZVLSVXKJFZFJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030743
CNC(c1ccccc1C)c1sc2c(c1)CCC2	PC-id_113660713	257.394	LBAARBSAJMMAOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030744
CNC(c1sc2c(c1)CCC2)c1cccc(c1)C	PC-id_115789707	257.394	PQFQXOXYAYUBBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030745
NC(c1cccc(c1C)C)c1sc2c(c1)CCC2	PC-id_115850305	257.394	KUVQCKJJWJPRRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030746
NC(c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_115793681	257.394	IEYCSEGCSJMZMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030747
s1c2c(CCC2)cc1C(N)c1c(cc(cc1)C)C	PC-id_43384452	257.394	OVHXSXXVHSLUAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030749
s1c2c(CCC2)cc1C(N)c1c(ccc(c1)C)C	PC-id_43384454	257.394	ZJLFYZRPGWRRPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030750
s1c2c(CCC2)cc1C(N)c1cc(c(cc1)C)C	PC-id_43384481	257.394	POHDUJFKDWLCQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030751
s1c2c(CCC2)cc1C(NC)c1ccc(cc1)C	PC-id_43481721	257.394	ZDMVTRKSRFVPEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030752
s1c2c(CCC2)cc1C(N)Cc1c(cccc1)C	PC-id_61078534	257.394	AZGUFOWGLSUADZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030753
s1c2c(CCC2)cc1C(N)Cc1ccc(cc1)C	PC-id_61079843	257.394	JDXMBKOYSVNLGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030754
s1c2c(CCC2)cc1CNC(c1ccccc1)C	PC-id_61207017	257.394	RQEZHHMBJVWODM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030755
s1c2c(CCC2)cc1C(N)Cc1cc(ccc1)C	PC-id_62390107	257.394	RUBYWAGJACAMFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030756
s1c2c(CCC2)cc1C(NCC)c1ccccc1	PC-id_43489048	257.394	SISKDTQJAPPWSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030757
s1c2c(CCC2)cc1C(NC)Cc1ccccc1	PC-id_61066324	257.394	QFSUMGZMQXVZRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030758
COC(C(C)(C)C)CN1Sc2c(C1)scc2	PC-id_143354726	257.415	UHMZVGSFNWZMSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030759
CS(=O)CCNC(c1sc2c(c1)CCC2)C	PC-id_115720729	257.415	FMMVZZAMGCBBOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030760
COC(=O)c1n2CCCc2c(c1Cl)C(=O)OC	PC-id_139507443,SCHEMBL21378308	257.67	YOILVJHIBFCFIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030761
C1(=O)C/C(=C(C)/c2ccc(cc2)Cl)/n2c1ccc2	CHEMBL1086607,PC-id_45277754	257.715	AYOHEXRRRJOBCU-UVTDQMKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030762
Clc1ccc(C(=C2n3c(C(=O)C2)ccc3)C)cc1	PC-id_75109247	257.715	AYOHEXRRRJOBCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030763
c12CN(Cc1nn(C)c2Cl)C(=O)OC(C)(C)C	EMOLS-id_324342881,MCULE-3735755482	257.717	YWSHOPHXJZAYKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030764
c12CN(Cc1nn(C(C)C)c2Cl)C(=O)OCC	MCULE-5805793200,EMOLS-id_324344928	257.717	OLEKYJNVYJSCDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030765
c12CN(Cc1nn(CC(C)C)c2Cl)C(=O)OC	EMOLS-id_324342880,MCULE-2373355568	257.717	KWEUGISTQCFRCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030766
CCCC(C)NC(=O)c1nn2CCOc2c1Cl	PC-id_91960051	257.717	AYDAIPILOOVJLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030767
ClCc1[nH]c2CN(Cc2n1)C(=O)OC(C)(C)C	PC-id_83949644	257.717	RXXAYWARXTYFKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030768
Clc1sc2c(c1)C(CC2)Nc1cnns1	PC-id_107649363	257.763	MKHSWAOAXPIWPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030769
Clc1sc2c(c1)C(CC2)Nc1nncs1	PC-id_107648656	257.763	IRIWVRICFPEEMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030770
CC(CCNC(=O)c1sc2c(c1)CCC2)Cl	PC-id_114301764,EMOLS-id_315680074	257.78	QYLYDKDXVSWSGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030771
CCC(CNC(=O)c1sc2c(c1)CCC2)Cl	PC-id_116244658	257.78	YIZSNHYCJMYJMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030772
CCC(NC(=O)c1sc2c(c1)CCC2)CCl	EMOLS-id_314327612,PC-id_114294363	257.78	NMIHHWIAQUAVGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030773
CC(CN(C(=O)c1sc2c(c1)CCC2)C)Cl	EMOLS-id_39814797,PC-id_63393819	257.78	YQUGMMHFVDXFTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030774
Clc1cc2c(s1)CCC2NCCCOC=C	PC-id_81251715,EMOLS-id_314268401	257.78	RGYCSNOANZGKQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030775
Clc1sc2c(C(NC3CCCOC3)CC2)c1	PC-id_81252194	257.78	IQYFQGVZBVCRFJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-030776
Clc1sc2c(C(NC3CCOCC3)CC2)c1	PC-id_81252383	257.78	CZYRRRGFNBAKBU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-030777
Clc1sc2c(C(NC3C(OCC3)C)CC2)c1	PC-id_82725452	257.78	COXWHQSCKZTONF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030778
Clc1sc2c(C(NCC3CCOC3)CC2)c1	PC-id_81251610	257.78	XGIQVSQMTSVMJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030779
Clc1sc2c(C(NCC3CC(O)C3)CC2)c1	PC-id_81252199	257.78	MJEZOTCKMMSTRX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030780
Clc1sc2c(C(NCC3(COC3)C)CC2)c1	PC-id_81252819	257.78	PWQYNUPVDOWSGP-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030781
Clc1sc2c(C(NCC3OCCC3)CC2)c1	PC-id_81252984	257.78	NYRRWTLUSGEZDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030782
Clc1sc2c(C(NCC(O)C3CC3)CC2)c1	PC-id_81251530	257.78	RGAUQORMPCCYNL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030783
Clc1sc2c(C(NOC3CCCC3)CC2)c1	PC-id_83229557	257.78	IKUSHPFQFYSADD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030784
ClCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_106845416	257.78	MTCQOWARPBJIGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030785
ClCCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_39738450,PC-id_63308911	257.78	UOCRDVOVZATDRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030786
ClCCC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_314386622,PC-id_83179532	257.78	NGASZTHCEHEALB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030787
ClCC(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_114302612,EMOLS-id_315286885	257.78	LWXKPWHCIOBPSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030788
ClCC(C(=O)Nc1sc2CCCc2c1)(C)C	PC-id_82110047	257.78	XGUKIUKYUCKUSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030789
ClCC(C(=O)NCc1sc2c(c1)CCC2)C	PC-id_62728528,EMOLS-id_39327992	257.78	ZOYIXOPUJRPTSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030790
ClCC(NC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_314397276,PC-id_114295036	257.78	LLWRZKQOLCKYCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030791
ClCC(N(C(=O)c1sc2c(c1)CCC2)C)C	EMOLS-id_314779067,PC-id_104555544	257.78	NPIYUBFFLFVDJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030792
ClCCN(C(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_39813105,PC-id_63395275	257.78	VPUZTKCVGRNJDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030793
COC1CC(C1)NC1CCc2c1cc(s2)Cl	PC-id_104584631	257.78	YWGCIBBZFTYTJM-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030794
OC1(CCC1)CNC1CCc2c1cc(s2)Cl	PC-id_116382102	257.78	ZGCKBWLCVLJNBB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-030795
OC1CCCC1NC1CCc2c1cc(s2)Cl	PC-id_115891362	257.78	XDUDLWMCBPZNMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030796
OCC1(CC1)CNC1CCc2c1cc(s2)Cl	PC-id_115454388	257.78	AVRWBLMEMVDVRI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030797
CCCCCCNC1CCc2c1cc(s2)Cl	EMOLS-id_315494348,PC-id_81251500	257.823	YELHAGXWZZFHIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030798
CC(C(C)(C)C)NC1CCc2c1cc(s2)Cl	PC-id_104827786	257.823	XHGJTOTVBIHIHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030799
CC(CCCNC1CCc2c1cc(s2)Cl)C	EMOLS-id_315492301,PC-id_81252292	257.823	ZUEUXZDOLLUKES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030800
CCC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_103460578	257.823	ZKIRMZAYXQIQRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030801
CC(CCNC1CCc2c1cc(s2)Cl)(C)C	PC-id_116369173	257.823	ATYKKSPTCZCEEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030802
CCC(CNC1CCc2c1cc(s2)Cl)CC	PC-id_116372404	257.823	YBZPFOPHTVGFRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030803
Clc1sc2c(C(NCC(C(C)C)C)CC2)c1	PC-id_81251746	257.823	YAZGNESPWYDIQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030804
Clc1sc2c(C(NC(CC(C)C)C)CC2)c1	PC-id_81252275	257.823	JNVCYZKMAYSFFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030805
Clc1sc2c(C(NC(CCC)CC)CC2)c1	PC-id_81252298	257.823	AYGGWIABLFNSAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030806
Clc1sc2c(C(NC(CCCC)C)CC2)c1	PC-id_81252597	257.823	UYWKTOIEUCWWMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030807
Clc1sc2c(C(NC(C(CC)C)C)CC2)c1	PC-id_81252698	257.823	LBRSWPIVSANQHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030808
Clc1sc2c(C(NC(C(C)C)CC)CC2)c1	PC-id_81252909	257.823	TURLUNGTQWKJMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030809
BrC1C(OC(=O)C)c2n(C1=O)ccc2	PC-id_85264732	258.069	UNWXWYNBRQETTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030810
Br[C@H]1[C@H](OC(=O)C)c2n(C1=O)ccc2	PC-id_10777567	258.069	UNWXWYNBRQETTB-JGVFFNPUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030811
CC(=O)N1CC(=O)c2c1c(Br)c(o2)C	PC-id_97751017	258.069	RIPNSBXRMCOPRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030812
C1CC2=C(C1CC3=CC=C(C=C3)F)C=C(N2)C(=O)[O-]	PC-id_154394934	258.094	SXXUTXNFJDEUJY-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-030813
CC(C)C1(CC2=C([C@H]1N)N=C(S2)Cl)C(C)C	PC-id_155091654	258.096	OTSLJMCPCRCCQP-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030814
CC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=CN3	PC-id_152781786	258.1	CKLBNFDBBATIHL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-030815
Clc1c2S(=O)(=O)NC(=O)c2sc1Cl	PC-id_16639006	258.102	QZABZKHSIFJVPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030816
Clc1sc(c2c1C(=O)NS2(=O)=O)Cl	PC-id_117063813	258.102	DCYTUPUZUWKGPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030817
Brc1n(cc2C(CCc12)CC(=O)O)C	PC-id_83913198	258.112	KDQYOYGUPYEWJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030818
c12ccc(Br)n1CCC2C(=O)OCC	MCULE-2047237015,EMOLS-id_207810350	258.112	LMNCOAVBYJRZIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030819
CCOC(=O)c1[nH]c(Br)c2CCCc12	EMOLS-id_337818785	258.112	POLDGFGJWAVFCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030820
CCCCN1Cn2c(C1=O)ncc2Br	PC-id_140261613	258.115	SQQJYPBUJKIADF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030821
CCCCN1Cn2c(C1=O)nc(c2)Br	PC-id_140263645	258.115	GJQUYYBPTIASKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030822
CCC(C(=O)N1Cc2c(C1)c[nH]n2)Br	MCULE-2521571427,EMOLS-id_313569839	258.115	USNMMQJMQKUNAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030823
O=C(C(Br)(C)C)N1Cc2c(C1)c[nH]n2	MCULE-4182914611	258.115	CQYUPZLTROEUIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030824
Brc1c2c(oc1C(C)(C)C)CN(C2)C	PC-id_84805805	258.155	RTQLFJRSIHMCHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030825
c12C(C)CCc1n(nc2Br)CCCN	MCULE-8304825017,EMOLS-id_330969337	258.158	IMRAZBSUDMHNJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030826
c12C(C)CCc1nn(CCCN)c2Br	EMOLS-id_331021994,MCULE-3806286495	258.158	IRDOFTWXAWJIDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030827
CC(Cn1nc(c2c1CN(C2)C)Br)C	PC-id_105512690	258.158	WVDJXJYYLKVIRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030828
CN1Cc2c(C1)c(n(n2)C(C)(C)C)Br	PC-id_105512700	258.158	ZFQYBSQYZABPDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030829
CN1Cc2c(C1)c(n(n2)CC(C)C)Br	PC-id_105512701	258.158	UFRCQLNSWWJDEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030830
CN1Cc2c(C1)n(nc2Br)C(C)(C)C	PC-id_105512689	258.158	YLKGUWOOJVSZDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030831
FC1(F)C(F)(F)C(F)(F)c2nn(cc12)C(C)C	PC-id_59050205	258.164	JXVZLUXLUFDUDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030832
s1c2c(C(OC2=O)(C(F)(F)F)C(F)F)cc1	PC-id_15146483	258.165	IBCGUMHHWUCXBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030833
s1c2C(OC(=O)c2cc1)(C(F)(F)F)C(F)F	PC-id_12579651	258.165	UELBBGCQSKHPEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030834
Brc1cc2c(s1)CCC2NCC=C	EMOLS-id_261970694	258.178	XWDYQUSTZBELBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030835
Brc1sc2c(c1)C(CC2)NC1CC1	EMOLS-id_96744997,PC-id_83913234	258.178	DNBHFOFCVOIEKP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030836
Brc1sc2C(NC3CC3)CCc2c1	PC-id_83913233	258.178	JPUVGXUTRSSFHX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-030837
BrC(=C)CNC1CCc2c1scc2	EMOLS-id_261970667	258.178	JOUXJUHIOLITIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030838
C1Cc2c(C1)n(nc2C(F)(F)F)Cc1nnco1	PC-id_137774900	258.2	GEKXWQDTFYMMOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030839
CCOC(=O)Cn1nc(c2c1CC(=O)C2)C(F)F	PC-id_71204585,SCHEMBL14555768	258.221	QIJSFBPHQLJUFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030840
NC=NC(=NC)c1nc2c(n1C(F)F)CN(C2)O	PC-id_144979207	258.228	ZTEBWOHIDGGIJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030841
[O-][N+](=O)c1cccc(c1)Cn1ncc2c1CNC2=O	PC-id_110171022	258.233	NMEORCDZAYPXAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030842
N#Cc1ccc(F)c(CCc2noc3c2COC3)c1	ZINC22_2325871308	258.248	HIMUPUZDLXBVSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030843
O=C(C1C=Cc2n1cnc2)OCc1ccc(cc1)F	PC-id_145724748	258.248	RPXCEMPRABZCNY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-030844
c1(C(=O)OCC)c2C(C)CCc2n(CC(F)F)n1	EMOLS-id_331000567,MCULE-3625034946	258.264	JVQIPCHMJMPYLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030845
CCOC(=O)c1c2C(C)CCc2nn1CC(F)F	MCULE-4462559020,EMOLS-id_330982584	258.264	YUMXVZNAZDXENL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030846
CCOC(=O)Cn1nc(c2c1CC(C2)C)C(F)F	PC-id_144506148	258.264	YUBZFGSGNPWVKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030847
c1(C(=O)Nc2cc(C)ccc2O)c2CCCc2on1	ZINC22_426290,PC-id_5075958,ChEMBL-DNDi_CHEMBLC226-3250,EMOLS-id_15971920,TIMTEC259311,MCULE-9008582897	258.273	KEYSCENIAMPMTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030848
Cc1nc2c(o1)CN(C2)C(=O)OCc1ccccc1	SCHEMBL14991147,PC-id_86686051	258.273	JHQSFHXMUXUVBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030849
Cc1nn2CCOc2c1C(=O)OCc1ccccc1	PC-id_134370033,SCHEMBL19998097	258.273	HZLPILUCTYRYDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030850
Cc1nn(c2c1CCO2)C(=O)OCc1ccccc1	SCHEMBL19646128	258.273	WAGKKMFMXMTGGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030851
Cc1nn(c2c1COC2)C(=O)OCc1ccccc1	SCHEMBL19646125	258.273	BEUACIGLRJQJNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030852
Cc1nn(c2c1OCC2)C(=O)OCc1ccccc1	SCHEMBL19646133	258.273	YUJWREYDGSFTLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030853
COc1ccc(NC(=O)c2noc3CCCc23)cc1	BindingDB-id_76222,CHEMBL1412123,ChEMBL-DNDi_CHEMBL1412123,SCHEMBL13856652,PC-id_3361256,ChEMBL-DNDi_CHEMBLC226-3282,BindingDB_PC-id_3361256	258.273	YDIZZWXBNGEZDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030854
o1nc2CCCc2c1NC(=O)c1ccc(OC)cc1	PC-id_16942283	258.273	VJVLTZFJAPPMKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030855
o1nc2CCCc2c1NC(=O)c1cc(OC)ccc1	PC-id_16942282	258.273	FFWRBOCKAGUUPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030856
o1nc2CCCc2c1NC(=O)COc1ccccc1	PC-id_16942361	258.273	CWLMMBWNBJGPCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030857
o1nc2CN(Cc2c1CC(=O)O)Cc1ccccc1	PC-id_83870631	258.273	BMHZEPVLWOXIOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030858
o1nc(c2CN(Cc12)Cc1ccccc1)CC(=O)O	PC-id_83870564	258.273	QBMJCHYCNAFYFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030859
O=c1cc[nH]c(c1)CNC(=O)c1occ2c1CCC2	EMOLS-id_319914463,MCULE-2578685367	258.273	HQXWCHKRJZWSIF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-030860
OC(=O)C1CCc2[nH]c(nc12)COc1ccccc1	PC-id_84010906	258.273	HPTJKNHWFKYRSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030861
OC(=O)C1CCn2c1ccc2C(=O)c1cccn1C	SCHEMBL10959237,PC-id_70480598	258.273	CWQMWCYKYMHGHX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-030862
C1Cc2c(nc(n2C1)NC(=O)Nc1ccccc1)O	BindingDB_PC-id_91936457,PC-id_91936457	258.276	DZXVKKIRDSAAOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030863
C1Cn2c(c(c(=O)n2C1)N=O)NCc1ccccc1	SCHEMBL13862154,PC-id_89189528	258.276	DOMOWTHDGDDSJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030864
C1COc2cc(nn12)C(=O)NCCc1ccccn1	PC-id_91959890	258.276	HJGZABAWLLNQPF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030865
c1(C(=O)Nc2ccc(nc2)OC)c2CCCc2n[nH]1	MCULE-2237048131,EMOLS-id_49408139,ZINC22_95478589,EMOLS-id_44757429,STOCK7S-38725,PC-id_71707765	258.276	CNDCYEAMLOJBKU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030866
O=C(NN=Cc1oc(cc1)C)c1n[nH]c2CCCc12	PC-id_2041697	258.276	VMJPHQMCJLMHOF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-030889
c1(C(=O)NN=C(C)c2ccco2)c2CCCc2[nH]n1	EMOLS-id_26191824,MCULE-7625544606,PC-id_716809	258.276	RTSRZXJLHURSQV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-030867
CCc1cc(cc(=O)[nH]1)C(=O)N1CCn2c1ncc2	MCULE-1402946343,EMOLS-id_258164371	258.276	YLKKNYQDSRHMQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030868
CCc1cnccc1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99751444	258.276	RKXOPYRVCOTVNH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030869
C[C@H](c1ccncc1)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_318903896	258.276	CHTDXRMRMKOCRF-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030870
CC(=NNC(=O)c1[nH]nc2CCCc12)c1ccco1	BindingDB_PC-id_5396929,CoCoCo_1768216,ChEMBL-DNDi_CHEMBL2002140,CoCoCo_1768214,SPECS-id_AF-399/40655395,BindingDB-id_208497,STOCK3S-31827,EMOLS-id_206979410,PC-id_5396929	258.276	RTSRZXJLHURSQV-RIYZIHGNSA-N	00000010101000000001000010000000000000000000000000000000	25-01-030871
COc1cncc(c1C)C(=O)N1CCn2c1ncc2	EMOLS-id_316483224	258.276	RSSWNJCDHXGNID-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030872
COCc1n[nH]c2c1CN(C(=O)c1ccncc1)C2	PC-id_97520290,ZINC22_96260212,EMOLS-id_44371968	258.276	YELQGHPBBUKLDL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030873
C(=O)(OCc1ccccc1)Nc1nn2CCNc2c1	PC-id_135741976,EMOLS-id_46304615,SCHEMBL12532906,MCULE-9231078739	258.276	VNDFMYHYGDFGOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030874
Nc1n[nH]c2CN(Cc12)C(=O)OCc1ccccc1	SCHEMBL1464582,MCULE-3521485382,EMOLS-id_37154113,PC-id_58201292	258.276	NTDOIOXSOPOSEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030875
NC(=O)c1cccc(c1)OCc1nnc2n1CCC2	EMOLS-id_319157902	258.276	DDGVOITYYYPFFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030876
NC(=O)c1cnccc1OCc1nn2c(c1)CCC2	EMOLS-id_319830775,MCULE-6744893053	258.276	WACCTTYWWZZURS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030877
O=C(c1cc2n(n1)CCO2)Nc1c(C)ccnc1C	EMOLS-id_102196357	258.276	OBALLZKMJSRFMA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030878
OCc1ccc(cn1)C(=O)N1Cc2c(C1)cnn2C	MCULE-8817282705,EMOLS-id_320142539	258.276	GNYMUEJYPLBNAA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030879
O=C(c1cccc(=O)[nH]1)Nc1n(C)nc2c1CCC2	EMOLS-id_97924111	258.276	HTIMZXXBJQTDCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030880
O=C(c1ncccc1O)NCc1cnc2n1CCC2	EMOLS-id_317954725	258.276	YFVMCAOOCMAPLY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030881
O=C(c1ncccc1O)NCc1n[nH]c2c1CCC2	MCULE-7204203586,EMOLS-id_320249656	258.276	WVHVIQAXAPMVJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030882
O=C(c1[nH]nc2c1CCC2)N/N=C(c1ccco1)/C	PC-id_6052947,CoCoCo_1768217,CoCoCo_1768215	258.276	RTSRZXJLHURSQV-ZSOIEALJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-030883
O=C(c1nnn2CCN(c12)C)c1ccc(OC)cc1	PC-id_25050558	258.276	TWROZAWDACPXIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030884
O=C(NC1CCn2c1cnc2)Cc1ccc(cn1)O	MCULE-8853097616,EMOLS-id_320170154	258.276	FDJKCCGGFRWIEE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030885
O=C(NC1CCn2c1ncc2)Cc1ccc(cn1)O	EMOLS-id_319945766,MCULE-5870614971	258.276	HUMZSDNZAQCKIP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030886
O=C(Nc1ncccc1CO)c1cnn2c1CCC2	EMOLS-id_320371832,ZINC22_827308495,MCULE-5904438529	258.276	KSVHZAUDDGQEMD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030887
O=C(Nc1n[nH]c2c1CNC2)OCc1ccccc1	SCHEMBL3611357,PC-id_57931357	258.276	OSKNGRBXVIOMPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030888
O=C(NNC(=C)c1occc1)c1n[nH]c2CCCc12	PC-id_3645935	258.276	ZQGGLVGDFHVVKN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-030890
O=C(NOCc1ccccc1)[C@@H]1Cc2nncn2C1	ZINC22_2325789734	258.276	JQWULLDEMFEBPX-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030891
O=C(NOCc1ccccc1)[C@H]1Cc2nncn2C1	ZINC22_2325789735	258.276	JQWULLDEMFEBPX-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-030892
OC(=O)c1cc(ccc1N)Cc1nnc2n1CCC2	PC-id_103586456	258.276	FYYZDKGJAUWHIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030893
OC(=O)c1ccnc(c1)CNC1CCn2c1ncc2	SCHEMBL17144442,PC-id_118420880	258.276	SXDIRTJQRJLLSD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030894
C1Cn2c(cnc2N1)N(CCC(=O)N)S(=O)[O-]	PC-id_136092322	258.278	WXQJSYCKDWYGJV-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-030895
c1(C(=O)Nc2n[nH]c(C3CC3)n2)c2CCCc2n[nH]1	EMOLS-id_48565740,ZINC22_95477388,MCULE-7730391871,STOCK7S-41892,EMOLS-id_49406913,PC-id_71706441	258.279	FLIHGYUPSHPDDS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-030896
CCc1ncc(cn1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319813782	258.279	DZSVTDZPEVVNIN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030897
CCc1nc(N)ncc1C(=O)N1CCn2c1ccn2	EMOLS-id_319575579	258.279	KXHKOAOJOIDNSG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030898
CC(c1nnc2n1CCC2)NC(=O)c1cnccn1	MCULE-7346684074,PC-id_45804913,EMOLS-id_257873214	258.279	JOSRPYMFHHQFGO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030899
CN(Cc1nnc2n1CCC2)C(=O)c1cnccn1	ZINC22_42749705,MCULE-7060946243,PC-id_53519513,EMOLS-id_35706516	258.279	GFMQXZWBIFKQCA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030900
Nc1ccnc(n1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100840408	258.279	PWTQRBDYYFZSTJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030901
Nc1nccc(c1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_320148477,MCULE-4526155061	258.279	SWWPJIQRSABTKI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030902
N#Cc1c(NCc2nn3c(c2)CCC3)[nH]nc1OC	EMOLS-id_319675126	258.279	RJDPPKWKAWKANK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030903
O=C(C1NCc2c1c[nH]n2)Nc1[nH]cc(n1)C1CC1	EMOLS-id_318926276	258.279	NFQSWLVINYFRKM-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-030904
O=C(c1nccnc1N)NCc1cnc2n1CCC2	MCULE-7460811370,EMOLS-id_317938550	258.279	SKEZPYOYHCWZSX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030905
O=C(N1CCn2c1ccn2)Cc1n[nH]c(n1)C1CC1	EMOLS-id_320219250,MCULE-9324519431	258.279	KELZCYGZEWMOOZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-030906
O=C(NC1CCn2c1ncc2)Nc1nccc(n1)C	EMOLS-id_319163887	258.279	OXBBSUFKHNJEMN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030907
O=C(NCc1n2CCCc2nn1)c1cc(N)cnc1	PC-id_52024798	258.279	OPSMWLUUPKFJJI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030908
O=C(NCc1n2CCCc2nn1)c1c(nccc1)N	PC-id_52024826	258.279	IJXVZBKAGBYTJF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030909
O=C(NCc1n2CCCc2nn1)c1nccc(N)c1	PC-id_52024793	258.279	NKCWHVALUFGJOZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030910
O=C(NCc1n2CCCc2nn1)c1ncc(nc1)C	PC-id_45806280	258.279	RLLCKBHVASWVSD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-030911
O=C(NCc1nnc2n1CCC2)Nc1ccccn1	MCULE-5829157131,PC-id_47247521,EMOLS-id_32005104,ZINC22_45388256	258.279	JBRZORYCKCWTFB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030912
O=C1c2c(C(=O)C1(F)F)c(sc2C(C)(C)C)C	PC-id_145470162	258.284	VDVVVPIVNVBEQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030913
OC(=O)C1(CCn2c1c(c(c2C(=O)c1ccccc1)[2H])[2H])[2H]	PC-id_76973739	258.287	OZWKMVRBQXNZKK-IRDMIQJSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030914
CC1CCc2c1c(C=O)nn2Cc1ccccc1F	EMOLS-id_331001087,MCULE-4057404342	258.291	GRDJMROZLKTQFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030915
CC1CCc2c1c(C=O)nn2Cc1cccc(F)c1	MCULE-8858099313,EMOLS-id_331003632	258.291	CIZQEFVZQKUGLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030916
CC1CCc2c1c(C=O)nn2Cc1ccc(F)cc1	EMOLS-id_330998527,MCULE-4901048181	258.291	HSIYRDNXENZWTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030917
CC1CCc2nn(Cc3ccccc3F)c(C=O)c12	MCULE-4335874697,EMOLS-id_330984890	258.291	BHSDWRMBCMYYCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030918
CC1CCc2nn(Cc3cccc(F)c3)c(C=O)c12	EMOLS-id_330983355,MCULE-1921118352	258.291	MUWSKAZIUCJFGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030919
CC1CCc2nn(Cc3ccc(F)cc3)c(C=O)c12	MCULE-6364364389,EMOLS-id_330982330	258.291	QDJVGNYMZPCLSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030920
S1(=O)(=O)Cc2c(oc(c2CC(=O)O)C(C)C)C1	PC-id_84805996	258.291	WZRGIGANCFHKGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030921
S1(=O)(=O)Cc2c(oc(C(C)(C)C)c2C(=O)O)C1	PC-id_84805995	258.291	KRSFTRWZQATLCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030922
C1Cc2c(C1)n(nc2C(=N)N)Cc1ccccc1F	SCHEMBL14746424,PC-id_86692092	258.294	NWFUDGKFSXHFMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030923
CC(Cn1nc2c(c1C(=O)O)CS(=O)(=O)C2)C	PC-id_105512988	258.294	BZCHHEZUMRIOMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030924
CC(Cn1nc(c2c1CS(=O)(=O)C2)C(=O)O)C	PC-id_105512981	258.294	AEWJJGNPQAABDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030925
OC(=O)c1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_105512987	258.294	WARJXMBSNXFDNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030926
OC(=O)c1nn(c2c1CS(=O)(=O)C2)C(C)(C)C	PC-id_105512980	258.294	ICELNSXJCOKCRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030927
OC(=O)CC1=C(C)[N+](=S(=O)=O)c2c1ccs2	SCHEMBL462343,PC-id_66693470	258.294	YKRPPURXNMJQID-UHFFFAOYSA-O	00000011100000000000000010000000000000000000000000000000	25-01-030928
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBL5303787,PC-id_793579,TIMTEC607413,MCULE-2722781446,CHEMBL1368840,SCHEMBL15281389,ZINC22_295798,SPECS-id_AN-153/I181363,ChEMBL-DNDi_CHEMBL1368840,EMOLS-id_1798728,CoCoCo_623055	258.296	ZXMAWPIAOXWRKA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-030929
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)C	PC-id_67551087,SCHEMBL6627500	258.296	CQLHYMZBXCRISA-WEVVVXLNSA-N	00000010110000000000000010000000000000000000000000000000	25-01-030930
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)C	SCHEMBL6627497	258.296	CQLHYMZBXCRISA-UITAMQMPSA-N	00000010110000000000000010000000000000000000000000000000	25-01-030931
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)C	SCHEMBL6627503,PC-id_18626989	258.296	CQLHYMZBXCRISA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-030932
O=C(c1cocc1)Nc1c(C#N)c2c(CCC2)s1	EMOLS-id_322613345,MCULE-5424460263	258.296	OHYOFTYBNJAKRI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-030933
O=C(N1C(=O)Cc2c1ccs2)Nc1ccccc1	PC-id_101903862	258.296	XNZOXKDIULCSRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-030934
s1c2CCCc2cc1C(=O)/N=C
/C=CC=NC1=O	PC-id_76050818	258.296	UNNILBVWAWMUHO-DHDCSXOGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-030935
s1c2c(nc1C)C(=O)N(Cc1ccccc1)C2=O	PC-id_85635038	258.296	DUWRZCJTXHIOMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030936
c1(N(=O)=O)nn2c(OC(CSCCCC)C2)n1	MCULE-4966314318,EMOLS-id_177520334,PC-id_44827883	258.297	KFJIWSFOZDOGLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030937
CCCCSC[C@H]1Cn2nc([N+](=O)[O-])nc2O1	ZINC22_2496764	258.297	KFJIWSFOZDOGLI-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030938
CCCCSC[C@@H]1Cn2nc([N+](=O)[O-])nc2O1	ZINC22_2496765	258.297	KFJIWSFOZDOGLI-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030939
CCS(=O)(=O)NCC(=O)N1CCn2c1ncc2	MCULE-3830090039,EMOLS-id_258164383	258.297	NHDVVQPHOADPIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030940
CN(C)C(=O)c1n[nH]c2c1CN(S(=O)(=O)C)C2	EMOLS-id_46160259,ZINC22_96066698,PC-id_97389038	258.297	HMEVANOSSUWHHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030941
O=S(=O)(N1CCn2c1ncc2)N1CCOCC1	EMOLS-id_318291287	258.297	BTCUNRPRJBYBKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030942
O=S(=O)(N1CCOCC1)N1Cc2c(C1)cn[nH]2	MCULE-2580229269,EMOLS-id_316446626	258.297	SRTBMDHBPHMLHB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030943
O=S(=O)(n1nc2c(c1)CNC2)N1CCOCC1	SCHEMBL19195854	258.297	ZHTVTMTTXYLMGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-030944
c1(ccn[nH]1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328166824,MCULE-8822997678	258.299	HNLJWSBPDIQSIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030945
Cc1ccccc1N/C=c/1sc2ncnn2c1=O	ZINC22_256055336,PC-id_117588276	258.299	CGOAUFFYSUFVSD-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-030946
Cc1cccc(N/C=c/2sc3ncnn3c2=O)c1	PC-id_117588275,ZINC22_256055770	258.299	SMSVHWXUTBFLAZ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-030947
Cc1ccc(N/C=c/2sc3ncnn3c2=O)cc1	ZINC22_256055860,PC-id_117588257	258.299	WNPCEDVMFGRVMC-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-030948
n12nc(nc1sc(=Cc1cccnc1)c2=O)CC	MCULE-1698560799	258.299	LSDQSZPOIXFDAQ-UHFFFAOYSA-N	00000000100000101001000010000000000000000000000000000000	25-01-030949
n12ncnc1sc(=CNc1ccc(cc1)C)c2=O	MCULE-1988381674	258.299	WNPCEDVMFGRVMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030950
n12ncnc1sc(=CNc1ccccc1C)c2=O	MCULE-3567445234	258.299	CGOAUFFYSUFVSD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030951
n12ncnc1sc(=CNc1cccc(C)c1)c2=O	MCULE-8393993182	258.299	SMSVHWXUTBFLAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030952
n12ncnc1sc(=CNCc1ccccc1)c2=O	MCULE-1339281894	258.299	VRZJOZPJJOCLTP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030953
N#Cc1c(NC(=O)c2cn[nH]c2)sc2c1CCC2	PC-id_61258931,EMOLS-id_314060509	258.299	KCECTLIIRZVGRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030954
N#Cc1c(NC(=O)n2ccnc2)sc2c1CCC2	EMOLS-id_315138060,PC-id_81256976	258.299	LGEJVSGYWLMBJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030955
N#Cc1cn[nH]c1NC(=O)c1sc2c(c1)CCC2	PC-id_78913732,EMOLS-id_260163198	258.299	PNQHVULNMJMKKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030956
O=c1/c(=C/NCc2ccccc2)/sc2ncnn12	PC-id_117588280,ZINC22_256055830	258.299	VRZJOZPJJOCLTP-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-030957
s1c2c(CCC2)c(c1NC=C(C#N)C#N)C(=O)N	PC-id_8198657	258.299	NONQYRMAMLXNBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030958
C=CCC1(Cc2c(S1(=O)=O)scc2)C(=O)O	SCHEMBL9458865,PC-id_19759863	258.314	PHGGWOYATAHVMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030959
CCCC1=C(C(=O)O)S(=O)(=O)c2c1ccs2	SCHEMBL9711157,PC-id_67912750	258.314	ARFDGEZGJWHLQE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-030960
COC(=O)c1sc(c2c1CSC2)C(=O)OC	CoCoCo_5685576,NSC627585,PC-id_363041	258.314	HDPQZNXRHZRHPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-030961
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)OC	MCULE-5275749863,EMOLS-id_331020780	258.316	AUKUKDNYZSAOHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030962
CC(C)(c1n[nH]c2CCCc12)c1ccc(O)c(O)c1	EMOLS-id_337935382	258.316	NWJHKIXFMSHKPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030963
COc1ccccc1Cn1nc2CCC(C)c2c1O	MCULE-8984497794,EMOLS-id_331002030	258.316	JQELEMUAMWAXQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030964
COc1ccccc1Cn1nc(O)c2C(C)CCc12	EMOLS-id_330959856,MCULE-5742935364	258.316	LINADLPIJXWMTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030965
COc1ccc(Cc2n[nH]c3CCCc23)cc1OC	EMOLS-id_337936150	258.316	WWTYKPWHWMBXCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030966
COc1cccc(Cn2nc3CCC(C)c3c2O)c1	EMOLS-id_331003052,MCULE-2895572175	258.316	ZNJRHQLRCIGOSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030967
COc1cccc(Cn2nc(O)c3C(C)CCc23)c1	MCULE-3337611906,EMOLS-id_331022318	258.316	SVGCSJLCJSVWJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030968
COc1ccc(Cn2nc3CCC(C)c3c2O)cc1	MCULE-3969608368,EMOLS-id_331005609	258.316	FTDYITWZJYHQNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030969
o1[nH]c2C(N(Cc2c1=O)Cc1ccccc1)C(C)C	PC-id_83851475	258.316	WHNFNCBMQPSCSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030970
o1[nH]c2C(N(C(c2c1=O)C)Cc1ccccc1)(C)C	PC-id_83851477	258.316	RLDKHCJIIBDGKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030971
O=c1n([nH]c2c1CCC2)CCCOc1ccccc1	PC-id_66023166	258.316	ASUZYFJKTATNRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030972
OC[C@H]1C[C@H](c2c1nn(c2)Cc1ccccc1)CO	PC-id_102511471	258.316	JLDASJUDQPHYLU-QWHCGFSZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030973
OC(=O)c1[nH]c2c(c1)CC(C2)NCC1=CCCC=C1	SCHEMBL8163957,PC-id_70292102	258.316	LFLZAZATUGMCOY-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-030974
N#CCCCN1C(=O)c2c(S1(O)O)csc2	SCHEMBL10907531,PC-id_70469747	258.317	WOABFXASGNDAIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030975
c1(CN(C)C(=O)c2cccn2C)c2CCCc2[nH]n1	EMOLS-id_55616609,PC-id_91764948,MCULE-4776691830	258.319	UXGZREQRBMIXOY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-030976
Cc1cc(OCc2nnc3n2CCC3)c(c(n1)C)C	EMOLS-id_319189897	258.319	AHUKCMXEIVPNTG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030977
Cc1[nH]c(c(n1)CNC(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_319984800,MCULE-3896566563	258.319	WBIIMQYMYIGVMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030978
CC(c1c(C)cccc1F)n1cc2C(C)CCc2n1	EMOLS-id_331005089,MCULE-5133585438	258.334	WRNZMQHVWQUPON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031023
Cc1noc(C2CC2)c1NCc1cnc2n1CCC2	MCULE-9077902110,EMOLS-id_316867573,ZINC22_952885674	258.319	WWTQMSUBRLHCBW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-030979
CC(c1cn(ccc1=O)Cc1nnc2n1CCC2)C	EMOLS-id_319757396	258.319	AEOOIKSEOCHUBS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030980
CCc1[nH]ccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319032763	258.319	WFDIJLJWTDYXMD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-030981
CCc1[nH]ccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319521746	258.319	HSIVSEVBWOHZDX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-030982
CCc1[nH]cc(n1)CNC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319924572,MCULE-8957714720	258.319	BOXMDQMXVUQPGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030983
CCC(c1c(cc(cc1)C)C)c1c2NOCn2nn1	PC-id_136131898	258.319	VCSUXZQTKTVQCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030984
C#CCN1CCC[C@H]1C(=O)NC1CCn2c1ncc2	EMOLS-id_316593472	258.319	MMFRNDUPXXEQJR-KIYNQFGBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030985
CCn1cccc1C(=O)NCc1n[nH]c2c1CCC2	MCULE-6041085251,EMOLS-id_320102729	258.319	UHFMUVPIACEHER-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-030986
CCn1cccc(c1=O)NCc1cnn2c1CCC2	EMOLS-id_279157670	258.319	UOVCEFGTMYQAIM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030987
CCOc1ccccc1NC1CC(n2c1ncn2)C	EMOLS-id_279084404	258.319	ATZZEGSVJQSHPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030988
CC(Oc1cncc(c1)Cn1nc2c(c1)CNC2)C	SCHEMBL21257518,PC-id_139400891	258.319	KENGSHHDBLNKNF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-030989
N#CC1(CC(C1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317923469	258.319	MIIOMFQUTROTGT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-030990
N#CC1(CC(C1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319919154	258.319	KMBDCUAWWITWEZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-030991
N#CC1(CCCC1)C(=O)NCc1cnc2n1CCC2	MCULE-9978718193,EMOLS-id_317944404	258.319	OVIMDKPCNAJYEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-030992
Oc1ccc(cc1)CCNC1CC(n2c1ncn2)C	EMOLS-id_319361129	258.319	AUBFKCJDDHVHNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030993
Oc1ccc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_43748059	258.319	JUYAQYVXLOBRRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030994
Oc1cc(CNC(c2n3CCCc3nn2)C)ccc1	PC-id_43748115	258.319	HHNVWLCYSRMKTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030995
Oc1c(CNC(c2n3CCCc3nn2)C)cccc1	PC-id_43748091	258.319	NARLXUXFZFRNDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030996
OCc1cccc(c1)CNC1CC(n2c1ncn2)C	EMOLS-id_279082854	258.319	GPQXJODPUUDGJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030997
OCc1ccccc1CNC1CC(n2c1ncn2)C	MCULE-6616704608,EMOLS-id_320138812	258.319	VKTNIUQRYOYHJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-030998
O=C(c1ccc(n1C)C)NCc1cnc2n1CCC2	MCULE-4762611542,EMOLS-id_320312977	258.319	LLYMMUYKRKYSBD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-030999
O=C(c1ccc(n1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319708005	258.319	PTUOZZCDUIQYDM-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031000
O=C(c1ccn(c1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319176316	258.319	KVWJXPJPDGNFTO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031001
O=C(c1cn2c(n1)CCC2)NCc1ccc(n1C)C	EMOLS-id_319771104	258.319	LQFQABOBIVLTFP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031002
O=C(c1cnn2c1CCC2)NCc1ccc(n1C)C	EMOLS-id_319593793	258.319	MHBNUOSOBNVHLH-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031003
O=C(c1[nH]c2c(c1)CCC2)NCCCc1cn[nH]c1	EMOLS-id_319326645	258.319	FWGRASAOJIFPEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031004
O=C(CCn1cccc1)NCc1cnc2n1CCC2	EMOLS-id_318896828	258.319	CBDRKQPXXNRIMZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031005
O=C(CCn1cccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319441717	258.319	JWTRSVIXZMMENH-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031006
OC[C@@H](c1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_319221373	258.319	UPFWQTQHDZHJAA-GDKBPFBDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031007
O=C(C(n1cccc1)C)NCc1cnc2n1CCC2	EMOLS-id_320024834,MCULE-5444258178	258.319	RRKAYVUEVZXTAE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031008
O=C(C(n1cccc1)C)NCc1n[nH]c2c1CCC2	MCULE-1310279238,EMOLS-id_320288361	258.319	BXDWORZDIDTYMC-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031009
OCCn1ncc2c1CN(CCc1ccccn1)C2	EMOLS-id_55617824,CHEMBL4551615,PC-id_91830621,MCULE-4561861382	258.319	XOKWBOAEIPEURS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031010
Cc1cc(C)nc(n1)NC(c1nnc2n1CCC2)C	EMOLS-id_48326134,MCULE-6692806249,PC-id_75448590	258.322	JTAASNDVJWJVSV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031011
Cc1cc(C)nc(N[C@@H](C)c2nnc3n2CCC3)n1	ZINC22_95465982,PC-id_97260624	258.322	JTAASNDVJWJVSV-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-031012
Cc1cc(C)nc(N[C@H](C)c2nnc3n2CCC3)n1	ZINC22_95465983,PC-id_97260625	258.322	JTAASNDVJWJVSV-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031013
Cc1cnc(cn1)CCNC1CC(n2c1ncn2)C	EMOLS-id_319695614	258.322	OWPXIELNPUDFPM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031014
Cc1cncc(n1)CCNC1CC(n2c1ncn2)C	EMOLS-id_320079172,MCULE-2917482688	258.322	PAMNONKYUKQRSY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031015
Cc1nc(C)c(C)c(NCc2nnc3CCCn23)n1	PC-id_72890846,MCULE-7338380543,EMOLS-id_46063505,ZINC22_91663291	258.322	QTGZXKIPBNBZJN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031016
Cc1nccnc1CCNC1CC(n2c1ncn2)C	MCULE-5045277375,EMOLS-id_320056300	258.322	RPTOHNNAQGXQLJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031017
Cc1nc(NCc2nnc3CCCn23)nc(C)c1C	MCULE-9533528728,EMOLS-id_337786160,ZINC22_2356148440	258.322	WOPTYWQYJYLAFN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031018
C=Cn1ncc(c1)CNC(c1nnc2n1CCC2)C	PC-id_106936389	258.322	KAPCAQJHDYBISE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031019
n12CCCc1nnc2C(NCc1nc(ncc1)C)C	PC-id_62748591	258.322	RMNBUQXIFYFALN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031020
n12CCCc1nnc2C(NC(C)c1nccnc1)C	PC-id_64191929	258.322	PPSPFFWMXBOLKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031021
CC(c1cccc(C)c1F)n1cc2C(C)CCc2n1	EMOLS-id_331004576,MCULE-4324534831	258.334	BNOOUASUKFARKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031022
CC(c1ccc(C)cc1F)n1cc2C(C)CCc2n1	MCULE-1872997008,EMOLS-id_331000749	258.334	QLECXXBHOTUPJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031024
CC(c1cc(C)ccc1F)n1cc2C(C)CCc2n1	MCULE-8413196319,EMOLS-id_331004064	258.334	JKVPDVDICYKOGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031025
CC(c1cc(C)cc(F)c1)n1cc2C(C)CCc2n1	EMOLS-id_331004320,MCULE-4134067397	258.334	VHPIRXMMZNCYOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031026
CC(c1ccc(C)c(F)c1)n1cc2C(C)CCc2n1	MCULE-5144351092,EMOLS-id_331000493	258.334	BMRQHYAPUVJQIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031027
CC(c1ccc(F)cc1C)n1cc2C(C)CCc2n1	EMOLS-id_331001007,MCULE-3284200279	258.334	PGHPURMFKMTDIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031028
CC(c1ccc(F)c(C)c1)n1cc2C(C)CCc2n1	EMOLS-id_331001263,MCULE-4855768198	258.334	ZBJSPAWNBDDIFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031029
CC(c1cc(F)ccc1C)n1cc2C(C)CCc2n1	MCULE-6287105285,EMOLS-id_331004833	258.334	WZIGKAZIUUGTJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031030
C1Cc2c(C1)sc(c2)C(=O)OCc1ccccc1	PC-id_134316030,SCHEMBL19936894	258.335	HJLKOZLKPGQSQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031031
COc1ccc(cc1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_314071318,PC-id_43462900	258.335	VZVNUSXURJPCAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031032
COc1cccc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114962487	258.335	NOGQRELUXGYFMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031033
COc1ccccc1C(=O)c1sc2c(c1)CCC2	PC-id_114962802	258.335	ZESQSMGOXCMYRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031034
c1(c2CCCc2sc1N)C(=O)Nc1ccccc1	MCULE-4686612554,ZINC22_374845,CoCoCo_6651808,EMOLS-id_841044,PC-id_1210311	258.339	KWOPDYZIGZIOLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031035
C1(CC1)C=CC(=O)Nc1sc2CCCc2c1C#N	MCULE-4782816010	258.339	OZWDNQLITWEGFB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-031036
c1(C(=O)c2ccc(nc2)C)c2CCCc2sc1N	EMOLS-id_48597681,MCULE-6656417756,PC-id_75481086	258.339	DXILSFCZKSGJSW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031037
c1(NC(=O)Cc2ccccc2)snc2CCCc12	MCULE-4141894032,PC-id_54774479	258.339	RJOASIDRWLALSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031038
c1(snc2CCCc12)NC(=O)c1ccc(cc1)C	PC-id_54774426,MCULE-8361519348	258.339	QFJAVNSETWLLLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031039
Cc1ccccc1C(=O)Nc1nc2CCCc2s1	CoCoCo_4164053,MCULE-5682878199,PC-id_4125970,EMOLS-id_17194314,ZINC22_6525452	258.339	CJZJYYKZWGHUNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031040
Cc1cccc(c1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_21277214,MCULE-2486885040,CoCoCo_4164070,PC-id_3536296,ZINC22_6522209	258.339	CWWMVHRIRAUBNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031041
Cc1ccc(cc1)C(=O)Nc1nc2CCCc2s1	ZINC22_6233777,MCULE-7493069533,CoCoCo_4164020,PC-id_3288740,EMOLS-id_17198992	258.339	RVWNQNDZHLKIHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031042
Cc1ccc(cn1)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2458764,PC-id_21955862	258.339	CDUMJFJXFYIMRR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031043
C/C=C/C=C/C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_6383422,EMOLS-id_327958370,ZINC22_5504795	258.339	SRJGNCNSLPMSCH-CRBCFSCISA-N	00000010100000000000000010000000000000000000000000000000	25-01-031044
COc1ccc(cc1)CSC1=Cc2n(C1)cnc2	PC-id_70360750,SCHEMBL10409919	258.339	FWVYWZDSXGAMKY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-031045
CN(Cc1nn(c2c1CN(C2)S(=O)(=O)C)C)C	PC-id_97405291	258.341	BMMXHOYBAKTMKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031069
C(=O)(Nc1sc2CCCc2c1C#N)C=CC=CC	PC-id_4420726,EMOLS-id_300778040,MCULE-2865436496	258.339	SRJGNCNSLPMSCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031046
Nc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_20113360,EMOLS-id_301242454	258.339	RRWSGZHSXBDEFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031047
Nc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_20113644,EMOLS-id_313996260	258.339	XRKSDTZBIIXVTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031048
N#Cc1ccc(o1)CNCc1sc2c(c1)CCC2	PC-id_115653356	258.339	VPNNSKWHPLPKKJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-031049
O=C(C1CCc2c1ncs2)N(c1ccccc1)C	PC-id_70869876,SCHEMBL13270325	258.339	KWGGZYMXHCETNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031050
O=C(c1sc2c(c1)CCC2)Nc1ccccc1N	PC-id_20114088,EMOLS-id_301240403	258.339	QZTDBGLSEOFOAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031051
O=C(c1sc2c(c1)CCC2)NNc1ccccc1	EMOLS-id_76002565,MCULE-5428624950,PC-id_121557711	258.339	XWYNRIVMDWGFKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031052
O=C(Cc1ccccc1)Nc1nc2CCCc2s1	EMOLS-id_31846832,MCULE-6051683004,ZINC22_563263,PC-id_956648	258.339	LRSVXJXOKPJSJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031053
O=C(N1CC(c2c1ccs2)(C)C)c1ccccn1	PC-id_101913844	258.339	CNOKHQYECXBDRY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031054
O=C(Nc1sc2CCCc2c1C#N)/C=C/C1CC1	EMOLS-id_328182962	258.339	OZWDNQLITWEGFB-VOTSOKGWSA-N	00100010100000000000000010000000000000000000000000000000	25-01-031055
O=C(NCc1ccccn1)c1cc2c(s1)CCC2	MCULE-1732961636,CoCoCo_3331436,ZINC22_8073124,EMOLS-id_29950417,PC-id_9206020	258.339	YPKMPXOPSYHURO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031056
s1c2CCCc2cc1C(=O)NCc1cccnc1	PC-id_29204192	258.339	VHPVNFDHKYIBRU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031057
s1c2c(CN(C2)C)c(c1N)C(=O)c1ccccc1	PC-id_21345782	258.339	ZIULBCDIHHIRFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031058
s1c2NC(=O)C(=Cc3[nH]c(c(c3C)C)C)c2cc1	PC-id_59043151	258.339	HBWFULRBQYKSOS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-031059
CC(CNS(=O)(=O)c1cnc2n1CCC2)(N)C	PC-id_121702851,EMOLS-id_303020929,MCULE-9970587837	258.341	SXJFZQRZSLKKCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031060
CCCS(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_110143040,PC-id_63738683	258.341	QHAKZIAOLGXZJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031061
CCNc1c2CCCc2nn1S(=O)(=O)N(C)C	PC-id_59464623,SCHEMBL13145662	258.341	JZESGLFXIZTHPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031062
CCNc1nn(c2c1CCC2)S(=O)(=O)N(C)C	PC-id_58824877,SCHEMBL13145663	258.341	LONPYXJVTZFSNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031063
CCNCCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302994798,MCULE-6955758437,PC-id_121700686	258.341	CWLQUHJTTFMREV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031064
CCN(S(=O)(=O)N1Cc2c(C1)cnn2C)CC	EMOLS-id_316619578	258.341	KOXNIHDWPFJOHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031065
CC(NS(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318878774	258.341	OCPGVSRSUPEODQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031066
CCN(S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319662124	258.341	QZUYQKIRWKHHPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031067
Cn1ncc2c1CN(C2)S(=O)(=O)N(C(C)C)C	EMOLS-id_316657198	258.341	MPRBLPWGIFEHDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031068
CNCCN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_303002491,MCULE-1297976019,PC-id_121706686	258.341	XWNACJUSZJAHSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031070
CNC(CNS(=O)(=O)c1cnc2n1CCC2)C	PC-id_120877044,EMOLS-id_302887575,MCULE-5251369571	258.341	PEJMMSVIVVEBIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031071
CN(C)S(=O)(=O)NCc1c2c(nn1C)CCC2	MCULE-5454109110,EMOLS-id_53884707,ZINC22_225818942,PC-id_91819419	258.341	GLVOTCTZQQGXTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031072
NCC(N(S(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_302885791,PC-id_120875214,MCULE-2853583534	258.341	RZABCUHRDLRLAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031073
NCC(NS(=O)(=O)c1cnc2n1CCC2)(C)C	MCULE-4576298746,EMOLS-id_302882959,PC-id_120874891	258.341	ZSRKEOSOQXKAFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031074
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)C(C)C	PC-id_61356507	258.341	KRQLMJYMUMUWPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031075
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)CCC	PC-id_61383744	258.341	PEFQEXKDJVUGCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031076
S(=O)(=O)(NC(c1n2CCCc2nn1)C)C(C)C	PC-id_63738682	258.341	VOHXKFFDNLOXNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031077
S=C(Nc1ccccc1)c1nc2n(CCC2)c1N	PC-id_71739343	258.342	BSQASMNDRFVHKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031078
O=C(c1sc2c(c1)CCC2)CCS(=O)(=O)C	PC-id_114969658	258.357	XSMNLNBSLWTFDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031079
CCCS(=O)N1Cc2c(C1)sc(c2)C(=O)N	PC-id_91614024	258.36	SKTUAGOBAWXFLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031080
CSCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_315845235,PC-id_104288738	258.36	PWKYYHXLZFJFFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031081
S1(=O)(=O)CC(Nc2sc3CCCc3n2)CC1	PC-id_61508788	258.36	FMDKNBBHASXPRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031082
c1(C#N)c2CCCc2sc1N=Cc1cccs1	MCULE-3365082222,PC-id_658868,ChEMBL-DNDi_CHEMBL1374519	258.362	PQDKZDOAEAIAGE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-031083
N#Cc1c2CCCc2sc1/N=C/c1cccs1	ZINC22_13116067,STOCK1S-73674,PC-id_9568648,EMOLS-id_26256153	258.362	PQDKZDOAEAIAGE-OVCLIPMQSA-N	00000010100100000000000010000000000000000000000000000000	25-01-031084
N#CC1(C)CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101227540	258.362	MUCXWDBIDHWEHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-031085
Cc1cc(C)cc(c1)C(c1sc2c(c1)CCC2)O	PC-id_113658169	258.379	PZLGDHIWNZVREU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031086
CCc1cccc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115823802	258.379	RLROPUGXXXGFFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031087
C/C=C/C=C(/c1c(C)sc2c1CC(C2=O)C)C=C	PC-id_142211172	258.379	SYKFJHWUROTZKW-ZOCAGLHBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031088
OC(c1cccc(c1C)C)c1sc2c(c1)CCC2	PC-id_115791530	258.379	RQULCZBNGLFGEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031089
OC(c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_114978846	258.379	IQHZMQAXDRGOEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031090
s1c2c(CCC2)cc1C(O)c1c(ccc(c1)C)C	PC-id_61087526	258.379	IFLJKOFLGGJIOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031091
s1c2c(CCC2)cc1C(O)c1ccc(cc1)CC	PC-id_61089076	258.379	WZENKLCRDKJWJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031092
s1c2c(CCC2)cc1C(O)c1c(cc(cc1)C)C	PC-id_61100949	258.379	DOMQFAMSLWMRDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031093
s1c2c(CCC2)cc1C(O)c1cc(c(cc1)C)C	PC-id_61101533	258.379	AMQHPFCPBTWBFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031094
s1c2c(CCC2)cc1C(O)Cc1c(cccc1)C	PC-id_63017531	258.379	GDYFLEATULNMLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031095
s1c2c(CCC2)cc1C(O)Cc1cc(ccc1)C	PC-id_63017921	258.379	VCWOUFRLRJQLKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031096
s1c2c(CCC2)cc1C(O)Cc1ccc(cc1)C	PC-id_63018286	258.379	YNOCGBCTIUGXKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031097
c1ccc(cn1)CCNCc1sc2c(c1)CCC2	PC-id_63264598,EMOLS-id_314207661	258.382	FEXVFBAWLRNPMB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031098
c1ccc(nc1)CCNCc1sc2c(c1)CCC2	EMOLS-id_314098885,PC-id_61207606	258.382	XQCXBFSWOLZJLM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031099
c1(C(N)c2ccc(cc2)CC)sc2c(CCC2)n1	MCULE-2206002054,PC-id_61331286	258.382	INTUAEODWDVSPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031100
c1(C(N)c2cc(C)ccc2C)sc2c(CCC2)n1	PC-id_54978001,MCULE-9772063968	258.382	OGTUJBXMMVQTKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031101
c1(Nc2cccc(C(C)C)c2)snc2CCCc12	MCULE-6148518242,EMOLS-id_337817145,ZINC22_2356149856	258.382	CYPVPZUWUPEJPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031102
CC1(C)CCc2c1nc(s2)NCc1ccccc1	EMOLS-id_96707442	258.382	YCMBYSJIHISZET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031103
Cc1cccc(n1)CNCc1sc2c(c1)CCC2	EMOLS-id_315389014,PC-id_79268218	258.382	QYQDERMWSCDSGE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031104
Cc1ccc(cn1)CNCc1sc2c(c1)CCC2	PC-id_104753548	258.382	JIFNJLISFSKRTO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031105
Cc1cccnc1CNCc1sc2c(c1)CCC2	EMOLS-id_315832068,PC-id_112650090	258.382	AJNCJVDTXPHBPW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031106
Cc1ccc(nc1)CNCc1sc2c(c1)CCC2	PC-id_80709296,EMOLS-id_315492580	258.382	ZHNBBEGHBXTCGW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031107
Cc1ccncc1CNCc1sc2c(c1)CCC2	EMOLS-id_315668793,PC-id_81741687	258.382	YOQRRLQMWBKRHW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031108
Cc1cncc(c1)CNCc1sc2c(c1)CCC2	PC-id_113748486	258.382	GNBGSRAMLLLSCZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031109
CCC1CCc2c1nc(s2)NCc1ccccc1	EMOLS-id_96717103	258.382	XNSVVNNVCFAJLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031110
CCNC(c1sc2c(c1)CCC2)c1cccnc1	PC-id_115799814	258.382	NVTXLWIVDPUMAR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031111
CNC(c1cnccc1C)c1sc2c(c1)CCC2	PC-id_105006267	258.382	XJAMSBIVKLVTMM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031112
CNC(c1sc2c(c1)CCC2)c1ccc(nc1)C	PC-id_115854507	258.382	FZYFHCVDDSGPCG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031113
CNC(c1sc2c(c1)CCC2)c1cncc(c1)C	PC-id_113671898	258.382	PQYJIRBNNBYSIZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031114
CNC(c1sc2c(c1)CCC2)Cc1cccnc1	PC-id_105034407	258.382	FVIMQXBWDXHQIE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031115
n1c2CCCc2sc1C(C)NCc1ccccc1	PC-id_46784928,MCULE-1441209700	258.382	YMISHYVEIURENI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031116
n1ccc(cc1)CCNCc1sc2c(c1)CCC2	PC-id_61207607,EMOLS-id_314867412	258.382	WSMBFNSMCDBLRM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031117
Nc1ccc(cc1)Cc1sc2c(n1)C(CC2)(C)C	PC-id_79857996,EMOLS-id_302616053	258.382	WFBGSDUUKADZKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031118
Nc1ccccc1CNCc1sc2c(c1)CCC2	PC-id_66417284,EMOLS-id_315367459	258.382	WOTDBBXMEWRKBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031119
NNC(c1ccccc1C)c1sc2c(c1)CCC2	PC-id_105286031	258.382	VLBLXTUQGRXCDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031120
NNC(c1sc2c(c1)CCC2)c1cccc(c1)C	PC-id_105284860	258.382	ROPPTZOQUVLRHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031121
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)C	PC-id_105285348	258.382	WHXMPCWAYSBTBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031122
NNC(c1sc2c(c1)CCC2)Cc1ccccc1	PC-id_105283099	258.382	ULTFTZUGXQDTLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031123
s1c2c(CCC2)cc1CNC(c1cccnc1)C	PC-id_61207957	258.382	BFRQZVXYDDCNJF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031124
s1c2c(CCC2)cc1CNC(c1ccncc1)C	PC-id_61207765	258.382	DQMQOOCZTSIEDP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031125
s1c2c(CCC2)cc1C(N)C(c1ccncc1)C	PC-id_66446168	258.382	ZPWCCZQPSBTYQR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031126
s1c2c(CCC2)cc1CNC(c1ncccc1)C	PC-id_61207764	258.382	WJTPMKYBTRDOEP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031127
s1c2c(CCC2)cc1C(N)Cc1ncc(cc1)C	PC-id_66446523	258.382	JXEPDWQGDMORAZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031128
s1c2c(CCC2)cc1C(N)Cc1ncccc1C	PC-id_66448418	258.382	GZZAEXUEFGLBSC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031129
s1c2c(CCC2)cc1C(NC)Cc1ccncc1	PC-id_65582964	258.382	YAUOKLJBKMZIHH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031130
s1c2c(CCC2)cc1C(NC)Cc1ncccc1	PC-id_65582371	258.382	MYTLVZRHUBJBQC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031131
s1c2c(CCC2)cc1C(N)C(C)c1ncccc1	PC-id_66447393	258.382	UPORNCKOMSDFGA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031132
s1c2CCCc2nc1CC(CN)c1ccccc1	PC-id_83319804	258.382	VKZJPSWFERKSLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031133
s1c2CCCc2nc1CC(N)c1ccc(cc1)C	PC-id_82066871	258.382	FAKYOYLCIGWEIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031134
s1c2CCCc2nc1[C@@H](N)CCc1ccccc1	PC-id_83319802	258.382	LENDAMIBFHZUAK-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031135
s1c2CCCc2nc1C(N)c1cc(cc(c1)C)C	PC-id_54979794	258.382	RMCNSWWFBWVECZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031136
s1c2CCCc2nc1C(N)c1c(c(ccc1)C)C	PC-id_54980150	258.382	XDLCDEYDYXAAJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031137
s1c2CCCc2nc1C(N)c1cc(c(cc1)C)C	PC-id_61330502	258.382	FZDGXHDAENQORA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031138
s1c2CCCc2nc1C(N)c1c(cc(cc1)C)C	PC-id_61331881	258.382	FUQUSFSFFNVIPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031139
s1c2CCCc2nc1C(N)c1c(cccc1C)C	PC-id_81926940	258.382	KWGINHXYSLIPSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031140
s1c2CCCc2nc1C(N)c1c(CC)cccc1	PC-id_62416853	258.382	WJJOROYISZNHOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031141
s1c2CCCc2nc1C(NC)c1cc(ccc1)C	PC-id_61330375	258.382	DMXJOGZMJKBBMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031142
s1c2CCCc2nc1C(N)C(c1ccccc1)C	PC-id_61331690	258.382	OBGAEPFIIHPSAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031143
s1c2CCCc2nc1C(NC)c1c(cccc1)C	PC-id_61332744	258.382	XXZZSIJOJGBXQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031144
s1c2CCCc2nc1C(NC)c1ccc(cc1)C	PC-id_61332942	258.382	GPAPJKYEYLEHSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031145
s1c2CCCc2nc1C(N)CCc1ccccc1	PC-id_55128839	258.382	LENDAMIBFHZUAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031146
s1c2CCCc2nc1C(NC)Cc1ccccc1	PC-id_61331761	258.382	GGSUHYLPSKVGBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031147
s1c2CCCc2nc1C(NCC)c1ccccc1	PC-id_61332013	258.382	AELSGAMTCBXJKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031148
s1c2c(nc1C(N)c1ccccc1)C(CC2)(C)C	PC-id_79856644	258.382	ZKUORFKLGLZDBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031149
C1Cc2c(C1)sc(c2)C(=O)NNC(=S)S	PC-id_137710639	258.384	AODCMKIHYMGENF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031150
CSC/C=C(/c1[n+](SC)nc2n1CCC2)O	SCHEMBL14646645,PC-id_71231402	258.384	OHWIJMNZHGANLO-YVMONPNESA-O	00000010100000000001000010000000000000000000000000000000	25-01-031151
S(n1nc2[n+](CCC2)c1C(=CCSC)O)C	PC-id_78042649	258.384	OHWIJMNZHGANLO-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-031152
CCCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C#N	SCHEMBL11751201,PC-id_12369124	258.402	CWVZOZIMRFVWBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031153
c1([C@H](CSCCCO)N)sc2c(CCC2)n1	MCULE-6638906548,PC-id_83319806	258.403	QBHLITCKVNXGAN-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031154
CCS(=O)CCNCc1sc2c(n1)CCC2	PC-id_115887488	258.403	MSSXMWCMULTHDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031155
CC(S(=O)C)CNCc1sc2c(n1)CCC2	PC-id_115888067	258.403	PMTHMXGWLUDMQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031156
CS(=O)CCCNCc1sc2c(n1)CCC2	PC-id_115887572	258.403	KNRWIPYYEBXFHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031157
CS(=O)CC(NCc1sc2c(n1)CCC2)C	PC-id_104465140	258.403	HWARVMOAPZYACH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031158
CS(=O)CCNC(c1sc2c(n1)CCC2)C	PC-id_115869695	258.403	ZGCBCFYGJXAIKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031159
NC(C(C)(C)C)CN1Cc2c(S1=O)ccs2	PC-id_70319204,SCHEMBL8249783	258.403	XHTBCPWOOGDQBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031160
N[C@@H](C(C)(C)C)CN1Cc2c(S1=O)ccs2	PC-id_70321461,SCHEMBL8255126	258.403	XHTBCPWOOGDQBI-HQNRFAHOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031161
ClC(Cl)(Cl)c1nn2c(SCC2=O)n1	PC-id_82357980	258.513	UYUATWMZYODUII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031162
CC(N1N(Cl)c2c(C1C)c(c(o2)C(=O)O)C)C	SCHEMBL9583705,PC-id_57182852	258.701	LQRBJYMLCIGLSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031163
ClCc1oc2CN(Cc2n1)C(=O)OC(C)(C)C	PC-id_83949614	258.701	QUYGCSLTBQLZIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031164
NC(=O)c1c2c(CCC2)sc1NC(=O)CCl	PC-id_3518628,BAS-05125055,CoCoCo_331808,TIMTEC47374,MCULE-5374950297,ChemDIVF066-0569,EMOLS-id_846637	258.725	ALPHKUSWEDXBQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031165
C1Cc2c(sc(NC(=O)CCl)c2C#N)S1	PC-id_53274894,MCULE-3178728592	258.748	MTTOIBAEMTZJAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031166
C[C@H](C(=O)NC)NC1CCc2c1cc(s2)Cl	PC-id_103932071	258.768	UPUSQLDFGIXTLT-XPJFZRNWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031167
CC(NC1CCc2c1cc(s2)Cl)CC(=O)N	PC-id_115867720	258.768	JRCJHCVMXZPJJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031168
CCNC(=O)CNC1CCc2c1cc(s2)Cl	EMOLS-id_315491021,PC-id_81251837	258.768	BVRXRDDNYWXWHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031169
CC(=O)NCCNC1CCc2c1cc(s2)Cl	PC-id_81252676,EMOLS-id_315490509	258.768	XEUJMDSTLHIGFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031170
Clc1sc2CCC(NCC(=O)N(C)C)c2c1	EMOLS-id_315238763,PC-id_81252052	258.768	WSBMLNJFKPGIKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031171
Clc1sc2c(C(NC(C)(C)C(=O)N)CC2)c1	PC-id_81251519	258.768	MOFSVVMMPGSCON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031172
Clc1sc2c(C(NCCCC(=O)N)CC2)c1	PC-id_81252795,EMOLS-id_315491789	258.768	MBJMKMRHRCKPBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031173
Clc1sc2c(C(NCCC(=O)NC)CC2)c1	EMOLS-id_315492557,PC-id_81252804	258.768	HKZUNIPBJCUFND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031174
Clc1sc2c(C(NC(C)C(=O)NC)CC2)c1	PC-id_81252800	258.768	UPUSQLDFGIXTLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031175
Clc1sc2c(C(NN3CCOCC3)CC2)c1	PC-id_83010333	258.768	LNFSWLFUGONSOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-031176
ClCCCCC(=O)Nc1sc2CCCc2n1	EMOLS-id_38357433,PC-id_61508619	258.768	IUOTWMSJJZCVOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031177
ClCC(C(=O)Nc1sc2CCCc2n1)(C)C	EMOLS-id_39938425,PC-id_63664646	258.768	WFFURSZFGHPVDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031178
ClCCC(=O)NCCc1nc2CCCc2s1	EMOLS-id_181139515,PC-id_110461003,MCULE-4657727091	258.768	HXOQCIHOZMBWQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031179
Clc1sc2c(C(NCCCN(C)C)CC2)c1	PC-id_81252470,EMOLS-id_314311200	258.811	RUGDEZPLCABUJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031180
Clc1sc2c(C(NCCN(CC)C)CC2)c1	EMOLS-id_314248381,PC-id_81252404	258.811	AVFGDZLFPWFACY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031181
Clc1sc2c(C(NCC(N(C)C)C)CC2)c1	PC-id_81252183	258.811	NRQPPIHANRKABU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031182
Clc1sc2c(C(NC(CN(C)C)C)CC2)c1	PC-id_82946202	258.811	CIGZJCAPLNKNND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031183
C[Sn]C1=NC2=C(S1)CCC2	PC-id_160873437	258.948	ZUTOZXSTBBWIGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031184
C1CC2=C(N(N=C2C1)I)C#N	PC-id_155096344	258.961	FECFTLJUEDHJSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031185
CCOC(=O)C1CCC2=NN(N=C12)Br	PC-id_154726945	258.996	SZGUNUZFOKIQLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031186
C1=CNC(=C1)/C=C/C3=C(NC2=O)SC(=C3)C(=O)[O-]	PC-id_153775825	259.018	WTUNUBPITUDLJK-DAXSKMNVSA-M	00000010110000000000000010000000000000000000000000000000	25-01-031187
C1C=C(C2=CC=C(N21)C(=O)C3=CC=CS3)C(=O)O	PC-id_154270102	259.03	TYKRNZOIGYKIKX-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-031188
Brc1oc2C(CC(=O)c2c1)CC(=O)O	PC-id_84049412	259.053	QAFFPHQASIZPEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031189
BrCc1c2n(CCC2=O)cc1[N+](=O)[O-]	PC-id_85825161	259.057	MXMWUPAYZOCYCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031190
C1C(/C(=N/OCC2=CC=CC=C2)/C3=C1SC=C3)O	PC-id_152777605	259.067	XVSHBOJFEZDSQD-CCEZHUSRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031191
CC1=CC=C(C=C1)S(=O)(=O)N2C=C3CC=CC3=C2	PC-id_154715252	259.067	ALNGRVXRJCQIJX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-031192
COC(=O)C1=C(N=C2N1CCC2)NC(=O)C(F)F	MCULE-5174229355,PC-id_154765776,EMOLS-id_257943128	259.077	DOKZTNBXLVFQJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031193
o1c2C(C(C(=O)O)C)CCc2cc1Br	MCULE-2237630140	259.097	LQKKQWNZWHRZEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031194
Brc1n(cc2C(N)(CCc12)C(=O)O)C	PC-id_83913277	259.1	WAJZCNAYOQPWSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031195
Brc1[nH]cc2C(N)(CCc12)C(=O)OC	PC-id_83913276	259.1	VXFHLVPORIYRST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031196
Brc1n(nc2c1C(CC2)CC(=O)O)C	PC-id_83913280	259.1	DPLBQQMSLGDUFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031197
Brc1nn(c2c1C(CC2)CC(=O)O)C	PC-id_83913281	259.1	QQWKBENGTXCBLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031198
c12CC(C(=O)OCC)Cn1c(Br)cn2	EMOLS-id_317732187,MCULE-8506595690	259.1	VHQVRNYEZQSPIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031199
c1(C(=O)OCC)c2CCCn2nc1Br	MCULE-9483390719,EMOLS-id_189856211	259.1	JDXVEDXEDDKAAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031200
CC1CCc2c1c(Br)nn2CC(=O)O	EMOLS-id_330969336,MCULE-1201666783	259.1	WVMSWIRRHWRTMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031201
CC1CCc2nn(CC(=O)O)c(Br)c12	EMOLS-id_331022249,MCULE-3991966815	259.1	ZSBAIQMFQBDHEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031202
CCOC(=O)c1c(Br)c2n(CCC2)n1	ZINC22_165319692,EMOLS-id_177339606,PC-id_68791798,SCHEMBL3798240,MCULE-2538787837	259.1	BCGXPZLEUIXTFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031203
CCOC(=O)c1nc2n(c1Br)CCC2	SCHEMBL21315297	259.1	PZESEWNCSYUHDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031204
COC(=O)C1Cc2nc(C)c(Br)n2C1	MCULE-1781386365,EMOLS-id_324049032	259.1	IARQMIFXBRWCNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031205
C1CN2C=CN=C2C1NC(=O)CC3=CC(=CC=C3)F	PC-id_154800175	259.112	QFSPMXFKUOUQIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031206
O=S(=O)(Cl)c1c(Cl)nc2n1CCS2	CHEMBL4635924,PC-id_58230832,SCHEMBL1590334	259.133	WEAHVXCXWRQMBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031207
Brc1n(cc2C(O)(CCc12)CCN)C	PC-id_83913294	259.143	PXCPIWZYFDMOGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031208
c12C(C)CCc1n(nc2Br)CCCO	MCULE-1468171243,EMOLS-id_330972152	259.143	CCXGOTZIHLBGCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031209
c12C(C)CCc1nn(CCCO)c2Br	EMOLS-id_331020970,MCULE-9137185870	259.143	BZRNAGRIRAUUGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031210
C1CN2C=CN=C2C1N[C@H]3C[C@H]([C@@H]3N4C=CC=N4)O	PC-id_154799543	259.143	IIXMZNGBVCUMON-FGHRXAJISA-N	00001010100000000001100010000000000000000000000000000000	25-01-031211
CCOC1=NC(=NC(=C1)NC2CC3=CN=CN3C2)C	EMOLS-id_316656657,MCULE-1856999591,PC-id_154770956	259.143	YLEVCRCJYNFODB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031212
Brc1c2CCCc2sc1CC(=O)C	PC-id_84806130	259.163	YJXZHKSOQJDJDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031213
CC1C(=O)c2c(C1C)c(c(s2)Br)C	PC-id_142613449	259.163	PDJJSRJOPNAAGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031214
CC1C(=O)c2c(C1C)c(c(s2)C)Br	PC-id_142613437	259.163	PZRXTRVWTLEUCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031215
BrC(=C)Cn1c(=N)sc2c1CCC2	EMOLS-id_114839361	259.166	AXHORDFRTWFGJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031216
BrC(=C)CSc1[nH]c2c(n1)CCC2	EMOLS-id_261983257	259.166	RVDBYFDGKQEQFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031217
F[C@@H]1CCn2c1nc(n2)S(=O)(=O)C(F)(F)F	PC-id_138605540,SCHEMBL20967781	259.181	PGWPRDTVYKXNJS-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031218
C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)N=[N+]=[N-]	PC-id_137707619	259.188	OUSXNIWVQXQDSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031219
COCC1(COC)Cc2c(C1)c[se]c2	PC-id_101498415	259.204	NTPZJZUQGBFMRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031220
CC(C)(CBr)c1cc2CCCc2s1	MCULE-1889684601,EMOLS-id_313958105	259.206	CCAGDWMKUSIKPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031221
c12CN(Cc1nn(CC(F)F)c2C=O)C(=O)OC	MCULE-6557239953,EMOLS-id_324346983	259.209	NXGMGHIEVKIMGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031222
N/N=C(/c1nc2c(n1C)CN(C2)O)N=NC(F)F	PC-id_118614233	259.216	WKULCSHYUSRVDL-XILFHZPKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031223
N/N=C(/c1nc2c(n1C)CN(C2)O)N=N/C(F)F	SCHEMBL17380498	259.216	WKULCSHYUSRVDL-RRRUIFKYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031224
C1Cn2c(c(nn2)C(=O)c2ccc(cc2)[N+](=O)[O-])N1	PC-id_136731589	259.221	ZGYJVRLWYYYEGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031225
C1CC(C1)C(=O)c1nn2C(CCc2n1)C(F)(F)F	PC-id_134577457,SCHEMBL20228845	259.228	RFPSDAXEDQYEAY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-031226
CC(C1CC(c2nc(nn12)C(=O)C1CC1)F)(F)F	PC-id_137408198,SCHEMBL20640888	259.228	VZXCPSNZIXLGCY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031227
CC([C@@H]1CC(c2nc(nn12)C(=O)C1CC1)F)(F)F	PC-id_137412495,SCHEMBL20645904	259.228	VZXCPSNZIXLGCY-MLWJPKLSSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031228
CC([C@@H]1C[C@@H](c2nc(nn12)C(=O)C1CC1)F)(F)F	PC-id_137408197,SCHEMBL20640887	259.228	VZXCPSNZIXLGCY-BQBZGAKWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031229
N=C(c1nc2c(n1C)CNC2)/C=C(/C(F)(F)F)N	PC-id_144979167	259.231	NSUNZKBREAEMNZ-MBOYJPNOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031230
Fc1ccc(C(=O)c2n(c3c(OC(=O)C3)c2)C)cc1	SCHEMBL7681406,PC-id_9881613	259.233	LLPJXPYWECMHPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031231
S1(=O)(=O)N(C(=O)c2oc(cc12)C)CC(=O)OC	PC-id_10587352	259.236	WLMFGFZZHCPAGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031232
CCC(C1CCc2nc(nn12)C(=O)OCC)(F)F	SCHEMBL20262377,PC-id_134607493	259.253	REFRPFOLPVCWIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031233
COC(=O)C1CCn2c1ccc2C(=O)c1ccco1	PC-id_20356176,SCHEMBL11660990	259.257	SAAJYEGFMNHSQJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-031234
OC(=O)C1CCn2c1cc(c2C(=O)c1ccco1)C	PC-id_20356163,SCHEMBL11662179	259.257	NAIRYJATHMAOCR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-031235
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(o1)C	SCHEMBL11062527,PC-id_20356057	259.257	NISCPWCQQNGXIP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-031236
OC(=O)C1CCn2c1cc(c2C(=O)c1ccoc1)C	PC-id_20356145,SCHEMBL11664444	259.257	VSKWNTHZJXZQJR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-031237
OC(=O)C1CCn2c1ccc2C(=O)c1occc1C	PC-id_20356106,SCHEMBL11659678	259.257	HDNLGTYRDLAXCK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-031238
OC(=O)C1CCn2c1ccc2C(=O)c1occ(c1)C	SCHEMBL11664425,PC-id_20356168	259.257	MUVWVOGFNNAYEZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-031239
n1c(CNC(=O)C(=O)c2ccco2)c2c(CCC2)[nH]1	ZINC22_215716171,MCULE-3525562058,EMOLS-id_49882911,PC-id_77087994	259.261	PDSHZZNQKHBRGH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031240
o1nc2CN(Cc2c1N)C(=O)OCc1ccccc1	PC-id_83803082	259.261	ZNVRYSFVDDWORQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031241
O=C(c1cccc(O)c1)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_1875344163	259.261	GKMZXSUNPFRAPO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031242
O=C(c1cccc(O)c1)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_1875344164	259.261	GKMZXSUNPFRAPO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031243
O=C(c1occ2c1CCC2)Nc1ccn(c(=O)n1)C	EMOLS-id_316514456	259.261	KQUKSWNXGBNUCM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031244
O=C(Nc1cnn2c1OCC2)OCc1ccccc1	SCHEMBL18463683	259.261	XHPFXGKNNLRPCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031245
O=C(OCc1ccccc1)N1Cc2[nH][nH]c(=O)c2C1	EMOLS-id_337431516	259.261	OHRBTCOZZLVBHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031246
C1Cn2c(c(c(=O)n2C1)N=C1C=CC(=O)CC1=N)N	PC-id_136626470	259.264	VLFBVTZCMGOBDO-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031247
COc1ccc(cn1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318898646	259.264	PVGHGHMAOBZETD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031248
COc1cccc(n1)NC(=O)N1CCn2c1ncc2	EMOLS-id_316784141	259.264	WZHVBTONSQFRML-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031249
COc1ccncc1NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318876707	259.264	QRSLGNGAEBBNPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031250
COc1ncccc1NC(=O)N1CCn2ccnc12	EMOLS-id_177280149,ZINC22_521394577,MCULE-6170619353	259.264	QBFDMUOXPCNVKU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031251
Nc1cccc(n1)CNC(=O)c1cc2n(n1)CCO2	EMOLS-id_319757135	259.264	YNGBKSBCDRGPMQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031252
NC(=O)N1Cc2c(C1)[nH]nc2COc1cccnc1	PC-id_97406029	259.264	VIPATYMXZQUWRC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031253
O=C1C=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=C1)N	SCHEMBL3861526,PC-id_57577967	259.264	CNZYNDWFMLUYAN-OQLLNIDSSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031254
O=C(c1nn2c(c1)OCC2)NC1(CC1)c1ncc[nH]1	MCULE-4816113056,EMOLS-id_320279878	259.264	UMWXDLOULNTFHD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-031255
O=C(c1n[nH]c2c1CCC2)Nc1ccn(c(=O)n1)C	EMOLS-id_319150820	259.264	UTDGVHSPNXMEHJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031256
O=C(N1CCn2c1ncc2)Nc1ccn(c(=O)c1)C	EMOLS-id_320073344,MCULE-1069696993	259.264	GFFNUEPLILKPBC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031257
O=[N+]([O-])c1ccccc1NCc1nnc2n1CCC2	PC-id_30019619,MCULE-4285909565,EMOLS-id_48210012,ZINC22_22102349	259.264	AEBMUZYPWUWEBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031258
O=[N+]([O-])c1cccnc1NCc1cc2n(n1)CCC2	MCULE-1579008530,EMOLS-id_177295793,ZINC22_585092800	259.264	OFCKDHMZTFQLRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031259
O=C(NCc1n2CCCc2nn1)c1nccnc1N	PC-id_52024790	259.267	IMSFNDJGRSEYAW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031260
FC(F)(F)C1CC(NCc2cnn3c2CCC3)C1	EMOLS-id_316873179,MCULE-8696509568,ZINC22_657466884	259.271	RKZFZNFHYBKADX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-031261
Fc1cc(CC2CCc3[nH]c(cc23)C(=O)O)ccc1	PC-id_59180134,SCHEMBL1003672	259.276	AXQITAWQJZRDES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031262
Fc1ccc(cc1)CC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1007006,PC-id_59180151	259.276	SXXUTXNFJDEUJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031263
c1(C(=O)Nc2ccccc2F)c2CCCc2n(C)n1	PC-id_110389081,MCULE-3113835770,EMOLS-id_179745307	259.279	RGYBDEXVXAYAHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031264
c1(C(=O)Nc2ccc(cc2)F)c2CCCc2n(C)n1	PC-id_110389082,MCULE-5293614351,EMOLS-id_179745310	259.279	DSPWZIZTEHRAHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031265
c1(C(=O)Nc2cccc(F)c2)c2CCCc2n(C)n1	EMOLS-id_179745436,MCULE-1827306264,PC-id_110389124	259.279	RUPFWELZOGMDFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031266
c1(C(=O)NCc2ccccc2F)c2CCCc2[nH]n1	PC-id_110388826,EMOLS-id_179744553,MCULE-2642895925	259.279	ZLWRLBPWRMMKBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031267
c1(C(=O)NCc2ccc(cc2)F)c2CCCc2[nH]n1	PC-id_110388827,MCULE-2492623038,EMOLS-id_179744556	259.279	XSBFDKWSXQFEKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031268
c1(C(=O)NCc2ccccc2F)cn2c(CCC2)n1	EMOLS-id_321296340,MCULE-4542821161	259.279	VLEPYMVCDHMSTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031269
c1(C(=O)NCc2cccc(F)c2)c2CCCc2[nH]n1	EMOLS-id_323255743,MCULE-6370703759	259.279	KZZJYXYGVORUCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031270
c1(C(=O)NCc2ccc(F)cc2)cn2c(CCC2)n1	EMOLS-id_321296596,MCULE-1176197929	259.279	CDJULQWLMPWJQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031271
c1(NC(=O)c2ccc(cc2)F)n(C)nc2CCCc12	CoCoCo_5272988,PC-id_30859086,EMOLS-id_24910374,MCULE-6713493845,ZINC22_23135644	259.279	XGNLYCQSXHYZIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031272
Cc1c(F)cccc1C(=O)N[C@@H]1CCn2ccnc12	ZINC22_1588007337	259.279	JUOCCEZIZIRCFT-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031273
Cc1c(F)cccc1C(=O)N[C@H]1CCn2ccnc12	ZINC22_1588007338	259.279	JUOCCEZIZIRCFT-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031274
Fc1c(CC2(n3c(N(C2=O)C)ncc3)C)cccc1	PC-id_74222069	259.279	PPSZXNJCVSGDEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031275
Fc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-6708248047,EMOLS-id_320063712	259.279	IIBALBQXQRHKST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031276
Fc1cc(CC(=O)Nc2n[nH]c3CCCc23)ccc1	PC-id_9813835	259.279	IACQYYUSTNEQKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031277
Fc1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1	PC-id_45536267	259.279	NLDIDIBTYWBDSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031278
O=C(c1cccc(c1C)F)NC1CCn2c1ncc2	EMOLS-id_316886172,MCULE-8917268622	259.279	JUOCCEZIZIRCFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031279
O=C(c1ccccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319735170	259.279	UZUOSEGDTMJCHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031280
CCOC(=O)[C@H]1NCc2c1cnn2S(=O)(=O)C	PC-id_141411250	259.282	SEDUNNJUJBWJLE-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031281
CC(S(=O)(=O)NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_112023480	259.282	WCQIIFAZAUEULR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031282
OC(=O)CCNS(=O)(=O)c1cnc2n1CCC2	MCULE-8140651734,PC-id_120393804,EMOLS-id_72218826	259.282	IANSJSDACPHDQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031283
OC(=O)[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_72224578,PC-id_120394613,MCULE-9122777606	259.282	DEVCKQCHFOPNLT-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-031284
OC(=O)[C@H](NS(=O)(=O)c1cnc2n1CCC2)C	MCULE-2339259092,EMOLS-id_72219346,PC-id_120395571	259.282	DEVCKQCHFOPNLT-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031285
OC(=O)CN(S(=O)(=O)c1cnc2n1CCC2)C	MCULE-4056715935,EMOLS-id_71760870,PC-id_120396263	259.282	WVFYRBLNOWTECS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031286
c1(NC(=O)c2ccno2)sc2c(CCC2)c1C#N	CoCoCo_5191985,ZINC22_10253910,MCULE-8313137223,PC-id_18587248,EMOLS-id_48353645	259.284	WIIPSDVGALLBPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031287
Cc1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324838383	259.284	RODMKSZSGGYBHV-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-031288
Cc1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324839660	259.284	PUFHRMHHOIYVPC-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-031289
COc1ccccc1/C=c/1sc2ncnn2c1=O	ZINC22_16265079,ChEMBL-DNDi_CHEMBL5629-0257,EMOLS-id_2452776	259.284	AJXUJTLKGFASGK-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-031290
COc1ccccc1C=c1sc2ncnn2c1=O	ZINC22_254762796,EMOLS-id_300088130,MCULE-7601722744	259.284	AJXUJTLKGFASGK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031291
COc1ccc(/C=c/2sc3ncnn3c2=O)cc1	EMOLS-id_3505007,ChEMBL-DNDi_CHEMBL5629-0281,ZINC22_13150186	259.284	SUKZTPQBMIEINA-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-031292
COc1ccc(C=c2sc3ncnn3c2=O)cc1	MCULE-5341150084,EMOLS-id_300035739,ZINC22_254567367	259.284	SUKZTPQBMIEINA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031293
COc1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_208242	259.284	SUKZTPQBMIEINA-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031294
COc1ccc(/C=c/2sc3nncn3c2=O)cc1	ZINC22_12600391,EMOLS-id_1306102,MCULE-1972257277	259.284	ODIISHAPSHNKIB-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-031295
COc1ccc(/C=c/sc3nncn3c2=O)cc1	ZINC22_82083	259.284	ODIISHAPSHNKIB-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031296
COc1cccc(/C=c/2sc3ncnn3c2=O)c1	ChEMBL-DNDi_CHEMBL5629-0266,EMOLS-id_9062784,ZINC22_16732956	259.284	GPAILHIWTYCPLM-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-031297
COc1cccc(C=c2sc3ncnn3c2=O)c1	ZINC22_254589453,MCULE-5472108018,EMOLS-id_300094520	259.284	GPAILHIWTYCPLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031298
n12cnnc1sc(=Cc1ccc(cc1)OC)c2=O	EMOLS-id_299959283,MCULE-6803423060	259.284	ODIISHAPSHNKIB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031299
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)C	MCULE-1064201170	259.284	RODMKSZSGGYBHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031300
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)C	MCULE-1307282225	259.284	PUFHRMHHOIYVPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031301
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)N	PC-id_18626968,SCHEMBL6628201	259.284	WATMOKNWTZMNQP-QPJJXVBHSA-N	00000010110000000000000010000000000000000000000000000000	25-01-031302
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)N	PC-id_67551329,SCHEMBL6628204	259.284	WATMOKNWTZMNQP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-031303
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)N	SCHEMBL6628194	259.284	WATMOKNWTZMNQP-DAXSKMNVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-031304
C1Cn2c(cnc2N1)N(CCC(=O)N)S(=O)O	PC-id_136092323	259.286	WXQJSYCKDWYGJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031305
C1Cn2c(cnc2N1)S(=O)(=O)NCCC(=O)N	SCHEMBL4017271,PC-id_136405970	259.286	LFKFPGFKSHLXBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031306
CC(C(=O)N)NS(=O)(=O)c1cnc2n1CCN2	PC-id_135813634,SCHEMBL4017270	259.286	NCXYQMWCBUZZBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031307
C[n+]1cccc(c1)N=Nc1c(n2CCCn2c1=O)N	PC-id_136155048,SCHEMBL3401499	259.287	TUTABNNFCBIFNB-UHFFFAOYSA-O	00000010100000101001000010000000000000000000000000000000	25-01-031308
C[n+]1ccc(cc1)N=Nc1c(n2CCCn2c1=O)N	PC-id_136155068,SCHEMBL3399909	259.287	ACNQDRILPNDFCQ-UHFFFAOYSA-O	00000010100000101001000010000000000000000000000000000000	25-01-031309
C[n+]1ccccc1N=Nc1c(n2CCCn2c1=O)N	SCHEMBL3398923,PC-id_136155040	259.287	HXHTYBTVIVIZCG-UHFFFAOYSA-O	00000010100000101001000010000000000000000000000000000000	25-01-031310
N#Cc1c(NC(=O)c2nn[nH]c2)sc2c1CCC2	PC-id_80497919,EMOLS-id_315465179	259.287	QYIADGWDDIPPBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031311
N#Cc1c(sc2c1CCC2)NC(=O)c1[nH]cnn1	EMOLS-id_315425468,PC-id_80373731	259.287	FFQYZNBFWVRTLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031312
C1Cc2c(C1)sc(n2)NC=C(C#N)c1n[nH]nn1	PC-id_88703488,SCHEMBL10990825	259.29	OMIUOFROZLEDLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031313
[2H]C1([2H])C(C(=O)O)c2ccc(C(=O)c3ccccc3)n2C1([2H])[2H]	PC-id_46782030,EMOLS-id_902006	259.293	OZWKMVRBQXNZKK-LZMSFWOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031314
FC[C@@H]1C[C@H]1CS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319545936	259.3	LVFAWPISCJIARJ-IUCAKERBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031315
FSn1nc2c(c1)CN(C2)C(=O)OC(C)(C)C	PC-id_145135437	259.3	UEYMPEWQYBYSMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031316
O(C1Cc2[nH]c(cc2C1)C(=O)O)CC1=CCCC=C1	SCHEMBL8163965,PC-id_70292106	259.3	XNYBXQWWSXCXNY-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-031317
c1(N(=O)=O)c2CSCc2sc1C(=O)OCC	MCULE-9734885954,EMOLS-id_330873156	259.302	GJHADZNNKOGZTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031318
N#Cc1ccc(cc1F)Nc1sc2c(n1)CCC2	PC-id_113295605	259.302	ZPAHOJXURNXJLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031319
N#Cc1cc(Nc2sc3c(n2)CCC3)cc(c1)F	PC-id_113740122	259.302	XPDFYWDJMYDVHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031320
s1c2CCCc2nc1Nc1c(cc(F)cc1)C#N	PC-id_55231719	259.302	NORGPHNLQRSHKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031321
s1c2CCCc2nc1Nc1c(c(F)ccc1)C#N	PC-id_79512841	259.302	FJXUEAHWJHTIOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031322
s1c2CCCc2nc1Nc1c(F)cc(cc1)C#N	PC-id_54963698	259.302	UCGRRMKYLVUYKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031323
S1C(C(c2c1scc2)C[N+](=O)[O-])C(=O)OC	PC-id_21779983	259.302	SGHYCSARQPGBKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031324
S1(=O)(=O)N(CCCC=O)C(=O)c2c1csc2	PC-id_49875040	259.302	LYTMLIFWRLXDSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031325
c12CN(Cc1nn(CC1CC1)c2C#C)C(=O)OCC	EMOLS-id_324358497,MCULE-5507040138	259.304	MSENKEPKDJURNJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031326
c1(cc(oc1C)C)C(=O)NCc1c2CCCc2[nH]n1	PC-id_90651593,ZINC22_221220199,EMOLS-id_50541469,MCULE-2683636948	259.304	XWHUFLARBZTXCC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031327
c1(C(=O)NCCc2ccc(C)o2)c2CCCc2n[nH]1	ZINC22_426647431,MCULE-2640950858,PC-id_119072022,EMOLS-id_82735927	259.304	YXTMXYPIIGATIG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031328
Cc1cc(c(o1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319960695,MCULE-4983531994	259.304	BGLYAYCSWLWKHE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031329
Cc1cc(c(o1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318785495	259.304	QQZXYKMZBYCDDS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031330
Cc1ccoc1CN(C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_316910759,MCULE-4830421092,ZINC22_335477573	259.304	DIEKPLSJENOTMO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031331
Cc1cnn(CCNC(=O)c2occ3c2CCC3)c1	MCULE-6432945592,ZINC22_585081822,EMOLS-id_177245980	259.304	IIGXXYIDEPUMEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031332
Cc1n[nH]c(C)c1CNC(=O)c1occ2c1CCC2	ZINC22_585081665,EMOLS-id_177216272,MCULE-6195536022	259.304	DVMMUXUENRIISB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031333
Cc1oc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319564621	259.304	KAQGFZUSLOUZTL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031334
Cc1oc(C)c(C(=O)N[C@@H]2CCn3ccnc23)c1C	ZINC22_1468300551	259.304	RJNBWPYVUTWREQ-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031335
Cc1oc(C)c(C(=O)N[C@H]2CCn3ccnc23)c1C	ZINC22_1468300566	259.304	RJNBWPYVUTWREQ-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-031336
CC(c1cccc(c1)OCc1nnc2n1CCC2)O	EMOLS-id_319983559,MCULE-1724781089	259.304	LRORKYJKYQNVQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031337
CCc1ccc(o1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319309587	259.304	GRODSJLOCVMQKE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031338
CCc1occc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319295965	259.304	LBGKFNSEIJUDOL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031339
CCc1occc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318923583	259.304	DTKLZFWPLGZOMM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031340
Cn1cc(c(n1)CNC(=O)c1occ2c1CCC2)C	EMOLS-id_320106073,MCULE-8620733661	259.304	PTZAGCYYDCPMGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031341
CN(C(=O)c1occ2c1CCC2)CCc1c[nH]cn1	EMOLS-id_319170645	259.304	IRLCLTXDXWALSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031342
COc1ccc(Cc2nnc3CCCn23)cc1OC	MCULE-2865503083,EMOLS-id_324813569	259.304	DSGRAXKZJQBBOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031343
COCc1ccccc1OCc1nnc2n1CCC2	MCULE-3647587132,EMOLS-id_319900056	259.304	NAWZBGBIQVKCDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031344
O=C(c1c(C)oc(c1C)C)NC1CCn2c1ncc2	MCULE-5324077317,EMOLS-id_316901992	259.304	RJNBWPYVUTWREQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031345
O=C(c1occ2c1CCC2)NCc1nc([nH]c1C)C	EMOLS-id_319149275	259.304	FIDICAFKDOGXIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031346
O=C(c1occ2c1CCC2)NCc1[nH]c(c(n1)C)C	EMOLS-id_278312422	259.304	GJGBWHPLUGIIBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031347
O=C(c1occ2c1CCC2)NCc1[nH]nc(c1C)C	EMOLS-id_319757107	259.304	PONRBWNZEGSVGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031348
O=C(c1occ2c1CCC2)NCC(c1ncc[nH]1)C	EMOLS-id_319267696	259.304	OCIKGMZDSIPDFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031349
O=C(c1occ2c1CCC2)NCCCc1c[nH]nc1	EMOLS-id_318938017	259.304	WUOCEOGJSJCMNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031350
O=C(c1oc(c(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319062490	259.304	LEVKXDFJKQXHOL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031351
O=C(c1occ(c1C)C)NCc1cnc2n1CCC2	EMOLS-id_320243056,MCULE-7988288141	259.304	NMECHVKDTUDNOD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031352
O=C(C(c1ccco1)C)NCc1cnc2n1CCC2	EMOLS-id_319445823	259.304	ZHIOUUBCKRSOHC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031353
O=C(Cc1ccc(o1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319197125	259.304	VVBLGUMCXJWJHV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031354
O=C(C(c1ccco1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320033505,MCULE-2672867039	259.304	KZBCQALYPDOJOX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031355
O=C(Cc1occc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319568779	259.304	INOMLTKBBSHSQB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031356
O=C(CCc1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319476763	259.304	QBDPEOHQHPQENY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031357
O=C(CCc1ccco1)NCc1n[nH]c2c1CCC2	EMOLS-id_320141257,MCULE-2551862942	259.304	SLMCXMDKYQMIDD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031358
c1(CN(C)c2ncnc(OC)c2)[nH]nc2CCCc12	EMOLS-id_32413622,PC-id_50972183,MCULE-2886042683,ZINC22_67788343	259.307	XKSZBYVSRJTNRC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031359
c1(C(=O)NCc2c(C)n[nH]c2C)c2CCCc2[nH]n1	MCULE-5845398744,EMOLS-id_323259827	259.307	DVTJJIZXYUKVBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031360
c1(C(=O)NCCCn2ccnc2)c2CCCc2[nH]n1	EMOLS-id_323254206,MCULE-8708646670	259.307	GLBQDTSMAJQBSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031361
c1(C(=O)NCCn2ccnc2C)c2CCCc2[nH]n1	MCULE-1953605766,EMOLS-id_323257269	259.307	JMUXRHAGTYCBQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031362
c1(NC(=O)c2cc(nn2C)C)n(C)nc2CCCc12	EMOLS-id_24910460,CoCoCo_5273053,ZINC22_23135766,PC-id_30859191,MCULE-8727369844	259.307	PFNNZNGITGRHNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031363
Cc1ncc(n1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318832999	259.307	UNCARSDSQBEIKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031364
Cc1ncn(c1)C(C(=O)N1Cc2c(C1)cn[nH]2)(C)C	MCULE-8349478501,EMOLS-id_258006398	259.307	HJYGPTAYECUEBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031365
Cc1[nH]c(nc1C)CNC(=O)c1cnc2n1CCC2	EMOLS-id_316528054	259.307	CJKJIRMAAJRWEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031366
Cc1nn(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318934416	259.307	NHICUJVOXTZOPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031367
CCc1c(cnn1C)NC(=O)c1cnn2c1CCC2	EMOLS-id_319496968	259.307	JOGURYQDYRVNCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031368
CCc1c(cnn1C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319368886	259.307	IMYBEZVBULYOQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031369
CCc1cnc([nH]1)CC(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316356346,MCULE-4053952945	259.307	OWERVIFOJRKJOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031370
CCc1cnc([nH]1)CC(=O)NC1CCn2c1ncc2	MCULE-6188691808,EMOLS-id_320247212	259.307	XXWOPCQEYDXDCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031371
CCc1c[nH]c(n1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_319157271	259.307	WXGNXLWRMSGGGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031372
CCc1c[nH]c(n1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319640424	259.307	GRFAFPALZWDYAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031373
CCc1c[nH]c(n1)CNC(=O)c1nn2c(c1)CCC2	MCULE-9386271950,EMOLS-id_319863773	259.307	CATWIKXRRZDAHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031374
CCc1c[nH]c(n1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318777335	259.307	AGOWIJYUIHGJFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031375
CC(c1nccn(c1=O)Cc1nnc2n1CCC2)C	EMOLS-id_319838830	259.307	WMKCOYXVXVBCHH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031376
CCc1nc[nH]c1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_316565078	259.307	JYKKRIVKTUJDSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031377
CCc1nc[nH]c1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319649558	259.307	CLRXYOXLSKYIDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031378
CCc1nc[nH]c1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319284071	259.307	OQIIGWFTBFWJOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031379
CCc1[nH]cc(n1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_320168211,MCULE-7311313086	259.307	PVOODGMTGVNCEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031380
CCc1[nH]cc(n1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_319353227	259.307	GMSLGOOIAQTBGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031381
CCc1[nH]cc(n1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319490321	259.307	APOLOWKNFFJIMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031382
CCc1[nH]ncc1NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319243686	259.307	GMNNNMPZJLMTEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031383
CCC(C(=O)N1Cc2c(C1)cnn2C)n1cccn1	EMOLS-id_319039955	259.307	PAXYVHQVCWXOTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031384
CCC(C(=O)N1Cc2c(C1)cnn2C)n1ccnc1	EMOLS-id_319778596	259.307	RAFDRMPYKKLSQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031385
CC(C)n1cc(NC(=O)c2n[nH]c3c2CCC3)cn1	MCULE-1087995004,ZINC22_556027475,EMOLS-id_316837197	259.307	SJCIYPKTCGUPEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031386
CCn1ccc(n1)C(=O)Nc1n(C)nc2c1CCC2	CoCoCo_5273065,PC-id_30859220	259.307	ZPLVOHIRTBHFKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031387
CCn1ccc(n1)C(=O)NCc1cnc2n1CCC2	MCULE-3144259707,EMOLS-id_319866045	259.307	XNCWIIYOSUWYKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031388
CCn1ccc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319693038	259.307	SNLJIGGFNIDZEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031389
CCn1ccnc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319242647	259.307	HWVCPQSJIWPDHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031390
CCn1ccnc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319306840	259.307	XXWKRDCHFUYTPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031391
CCn1cnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319791266	259.307	HXPHLQNKVBXAOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031392
CCn1nc(cc1C)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318903709	259.307	QLDWSNXNMMFCHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031393
CCn1nc(cc1C)C(=O)NC1CCn2c1cnc2	EMOLS-id_318790742	259.307	CYXGKYFFLRLGLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031394
CCn1nc(cc1C)C(=O)NC1CCn2c1ncc2	EMOLS-id_319331125	259.307	BOKKVXWMSFIEKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031395
CCn1ncc(c1C)C(=O)NC1CCn2c1ncc2	MCULE-6512934826,EMOLS-id_319955034	259.307	WCSNKMYHGRRGSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031396
CCn1nccc1C(=O)Nc1n(C)nc2c1CCC2	CoCoCo_5273063,PC-id_30859216	259.307	CFIHPIFAMJAELG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031397
CCn1nccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319829312	259.307	YAOCOKGHUYEYII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031398
CCn1nccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318950032	259.307	WBTCIEXJZJNQBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031399
Cn1cc(c(n1)CNC(=O)c1cnn2c1CCC2)C	EMOLS-id_319101183	259.307	XVJLVGXIBKXMDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031400
Cn1cc(c(n1)CNC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_319094399	259.307	HSZSRUJYYTYIFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031401
Cn1cc(c(n1)CNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_319356668	259.307	UGZZKSCFJLHTBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031402
Cn1cc(c(n1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319176047	259.307	DZOKMCNIXYISGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031403
Cn1nc2c(c1NC(=O)CCn1cccn1)CCC2	PC-id_136579459,MCULE-8602387969,EMOLS-id_316848788,ZINC22_299294041	259.307	LSSIZXIHOGJBNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031404
CN(Cc1nnc2n1CCC2)Cc1ccnc(c1)O	EMOLS-id_319868761	259.307	IDTNYAGZDUGEED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031405
CN(C(=O)c1n[nH]c2c1CCC2)CCc1c[nH]cn1	EMOLS-id_319093914	259.307	BSFDPWGBOKARQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031406
COc1ccncc1CNC1CC(n2c1ncn2)C	EMOLS-id_319631955	259.307	HGRVLYWLGTZCFC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031407
COCc1nccc(NCc2cnc3n2CCC3)n1	MCULE-8693583618,ZINC22_902139079,PC-id_145905884,EMOLS-id_320383358	259.307	NRZRXUZDMRODLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031408
COCc1nc(NC2Cn3c(C2)cnc3)cc(n1)C	EMOLS-id_316941028	259.307	OLFNXEJWIZQSRL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031409
N#CCN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111226834	259.307	KGCOBMWRUGBHMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-031410
OC1(CCC1)c1ncn(n1)Cc1cc2n(n1)CCC2	EMOLS-id_320030778,MCULE-2327689463	259.307	YCJVMPAXNNWMMM-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-031411
Oc1ccc(nc1)CNC(c1n2CCCc2nn1)C	PC-id_79782111	259.307	ROFHJOQMAHZYSD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031412
O=C(c1cn2c(n1)CCC2)NCc1[nH]nc(c1C)C	EMOLS-id_319082525	259.307	IUWMMLALITWGIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031413
O=C(c1cn2c(n1)CCC2)NCC(c1ncc[nH]1)C	EMOLS-id_319812894	259.307	SHIHISKWNBDORI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031414
O=C(c1cnc2n1CCC2)NCc1[nH]nc(c1C)C	EMOLS-id_319588919	259.307	SAVZVACSHBDPSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031415
O=C(c1cnn2c1CCC2)NCc1[nH]c(c(n1)C)C	EMOLS-id_319560805	259.307	SMZSOPJTPBMKGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031416
O=C(c1cnn2c1CCC2)NCc1[nH]nc(c1C)C	EMOLS-id_319723384	259.307	FKZHKNSEFRDGAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031417
O=C(c1cnn2c1CCC2)NCC(c1ncc[nH]1)C	EMOLS-id_319767899	259.307	NPUPPUKVKQWSBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031418
O=C(c1cnn2c1CCC2)NCCCc1c[nH]nc1	EMOLS-id_319063123	259.307	SWMJYMHLEMKJAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031419
O=C(c1cnn(c1C)C)NCc1cnc2n1CCC2	EMOLS-id_319014249	259.307	PMGXXPWPZMOBHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031420
O=C(c1nc2n(c1)CCC2)NCc1[nH]c(c(n1)C)C	EMOLS-id_319283819	259.307	BMFYFTIQAKFRLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031421
O=C(c1n(C)nc2c1CCC2)NCCc1n[nH]cc1	EMOLS-id_319758543	259.307	ZOKOFXITHFLMGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031422
O=C(c1[nH]c2c(c1)CCC2)NC(c1[nH]cnn1)(C)C	EMOLS-id_319705047	259.307	NIYRSQCEAXGSPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031423
O=C(c1nn(c(c1)C)C)NC1CC(n2c1ncc2)C	MCULE-1933706127,EMOLS-id_319909701	259.307	AOWBGAAEVSZAOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031424
O=C(c1n[nH]c2c1CCC2)NC(c1ccnn1C)C	EMOLS-id_319721315	259.307	RTZXVARBFUVMOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031425
O=C(c1n[nH]c2c1CCC2)NCc1nc([nH]c1C)C	EMOLS-id_319701851	259.307	CMURWFYIUPEORT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031426
O=C(c1n[nH]c2c1CCC2)NCc1[nH]c(c(n1)C)C	MCULE-8150077389,EMOLS-id_258000709	259.307	SWSDGCADTDIJJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031427
O=C(c1n[nH]c2c1CCC2)NCc1[nH]nc(c1C)C	EMOLS-id_319431392	259.307	ZCXYBLNTJYYDIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031428
O=C(c1n[nH]c2c1CCC2)NCC(c1ncc[nH]1)C	EMOLS-id_320076785,MCULE-6779195512	259.307	QNYMPVZRASANMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031429
O=C(Cc1ccn(n1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318942919	259.307	VYRBVEXMZGXQHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031430
O=C(Cc1n[nH]c(c1)C)NCc1cnc2n1CCC2	EMOLS-id_318886240	259.307	RGDPLLPDBMEYGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031431
O=C(Cc1n[nH]c(c1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319165610	259.307	GLAVCYRVODQKIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031432
O=C(CCc1ccn[nH]1)NCc1cnc2n1CCC2	MCULE-2457378603,EMOLS-id_320307502	259.307	KUNPGXOQTQQGCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031433
O=C(CCc1ccn[nH]1)NCc1nn2c(c1)CCC2	EMOLS-id_319679092	259.307	MQRDVNRWYCVQJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031434
O=C(CCc1c[nH]cn1)NCc1n[nH]c2c1CCC2	EMOLS-id_318771319	259.307	URNPMOLCLDBMCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031435
O=C(CCc1c[nH]nc1)NCc1cnc2n1CCC2	EMOLS-id_318795422	259.307	PIDQDOLGWRNKEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031436
O=C(CCc1ncc[nH]1)NCc1n[nH]c2c1CCC2	EMOLS-id_318854568	259.307	GMTQWDYUGVXSCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031437
O=C(CCn1cccn1)NCc1cnc2n1CCC2	EMOLS-id_319116665	259.307	QADBVXDCZXNYMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031438
O=C(CCn1cccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319873545	259.307	JANSJAGOPCJJAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031439
O=C(C(Cn1cncc1)C)NC1CCn2c1ncc2	EMOLS-id_319564505	259.307	MUSDPRAELOZOOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031440
O=C(CCn1cncc1)NCc1cnc2n1CCC2	EMOLS-id_319364293	259.307	RNHZJHKMMATRIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031441
O=C(CCn1cncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319923426,MCULE-9507711552	259.307	SIMRFSJLGBVBOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031442
O=C(C(n1cccn1)C)NCc1cnc2n1CCC2	EMOLS-id_319588493	259.307	FSWVBPDZTXLRFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031443
O=C(Cn1ccc(n1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319038634	259.307	RTRCTBARMCIEBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031444
O=C(Cn1ccnc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_320291338,MCULE-4369699937	259.307	SQNDTQOWTBDOLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031445
O=C(Cn1cncc1C)NCc1cnc2n1CCC2	EMOLS-id_320211871,MCULE-7676873446	259.307	ZKPKHCZVSSBNJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031446
O=C(C(n1cncc1)C)NCc1cnc2n1CCC2	MCULE-2227473894,EMOLS-id_320171445	259.307	ADTWLDRMJLBBAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031447
O=C(C(n1cncc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319528310	259.307	XSSNPATZICDIGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031448
O=C(Cn1ncc(c1)C)NCc1cnc2n1CCC2	EMOLS-id_318897134	259.307	RBOHKJUFSAOAFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031449
O=C(Cn1nccc1C)NCc1cnc2n1CCC2	MCULE-3917936090,EMOLS-id_320183445	259.307	WSZGFQWPIRCIGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031450
O=C(Cn1nccc1C)NCc1n[nH]c2c1CCC2	MCULE-5321953926,EMOLS-id_319900148	259.307	HGNVZGWTIJCXSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031451
O=C(N1Cc2c(C1)cn[nH]2)Cn1ccnc1C(C)C	EMOLS-id_318348427	259.307	ITAAHUMVSLKKEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031452
O=C(N1CCn2c1ccn2)c1[nH]cnc1C(C)(C)C	EMOLS-id_319609004	259.307	SFQIXJQSKAVOAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031453
O=C(N1CCn2c1ccn2)Cn1ccnc1C(C)C	EMOLS-id_316633265	259.307	MXLNZZISRGDPER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031454
O=C(N1CCn2c1ncc2)c1cnn(c1C)C(C)C	MCULE-2315073942,EMOLS-id_258164374	259.307	JIRSOGARGSOTII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031455
O=C(N1CCn2c1ncc2)c1[nH]nc(c1)C(C)(C)C	EMOLS-id_258164407	259.307	BGNMRUDBMUFJEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031456
O=C(N1CCn2c1ncc2)CCc1c(C)n[nH]c1C	MCULE-7156941844,EMOLS-id_258164386	259.307	PPGVCYQJUVRLLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031457
O=C(N1CCn2c1ncc2)Cn1ccnc1C(C)C	EMOLS-id_279043786	259.307	FMPHTGQEYYZLDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031458
O=C(NC1CC(n2c1ncc2)C)CCc1ccn[nH]1	EMOLS-id_318854817	259.307	NOARTHSTICFXBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031459
O=C(Nc1n(C)nc2c1CCC2)Cc1n[nH]c(c1)C	EMOLS-id_101169504	259.307	HRQMMHLENVOJSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031460
O=C(NCCc1cn(nc1)C)c1n[nH]c2c1CCC2	PC-id_78901562	259.307	WNAGZIUXEOLOIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031461
CC1CC(c2n1ncn2)NCCNc1nccnc1	EMOLS-id_319193888	259.31	GRWGGKILJQKUTH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031462
c1(C(N)c2ccc(cc2)F)c2CCCc2oc1CC	MCULE-3836657640,PC-id_83610224	259.319	JHKRFUOUUSWDHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031463
c1(CN(C)Cc2cccc(F)c2)c2CCCc2[nH]n1	PC-id_74251331,MCULE-6360147728,EMOLS-id_49682182,ZINC22_97823230	259.322	HSNJSFKYWYTEJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031464
CC1CCc2c1c(CN)nn2Cc1ccccc1F	EMOLS-id_331011324,MCULE-7578539854	259.322	UNODQIKCWVKJGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031465
CC1CCc2c1c(CN)nn2Cc1cccc(F)c1	MCULE-3651548723,EMOLS-id_331013884	259.322	PGFMOSRGSDMNFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031466
CC1CCc2c1c(CN)nn2Cc1ccc(F)cc1	EMOLS-id_331012859,MCULE-9989886276	259.322	BIYBVQMXWXVFLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031467
CC1CCc2c1c(N)nn2Cc1ccc(C)cc1F	EMOLS-id_330963187,MCULE-1469247640	259.322	XONRCESZFKDYJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031468
CC1CCc2c1c(N)nn2Cc1cccc(C)c1F	MCULE-4053876239,EMOLS-id_330961652	259.322	BSEKGQFTUYGCOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031469
CC1CCc2c1c(N)nn2Cc1cc(C)ccc1F	MCULE-5873841898,EMOLS-id_330961396	259.322	ONOFWDFIFAFQDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031470
CC1CCc2c1c(N)nn2Cc1ccc(C)c(F)c1	EMOLS-id_330962931,MCULE-5491475922	259.322	BHOODOMTQYAOSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031471
CC1CCc2c1c(N)nn2Cc1cccc(F)c1C	MCULE-5710154541,EMOLS-id_330963956	259.322	QNSZZEIVOXZMEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031472
CC1CCc2c1c(N)nn2Cc1ccc(F)cc1C	MCULE-1507658446,EMOLS-id_330963699	259.322	XYOYCPFSXCQJSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031473
CC1CCc2c1c(N)nn2Cc1ccc(F)c(C)c1	MCULE-7553787281,EMOLS-id_330963443	259.322	DNXJQQCXQMCWQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031474
CC1CCc2c1c(N)nn2Cc1cc(F)ccc1C	EMOLS-id_330964212,MCULE-3647166683	259.322	HLLPLMXLMXZVOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031475
CC1CCc2nn(Cc3ccccc3F)c(CN)c12	MCULE-4148931166,EMOLS-id_330997174	259.322	VEQJDWHSXFOFJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031476
CC1CCc2nn(Cc3cc(C)ccc3F)c(N)c12	EMOLS-id_331010465,MCULE-9766089947	259.322	UTTOKQLYXKLVDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031477
CC1CCc2nn(Cc3ccc(C)cc3F)c(N)c12	EMOLS-id_331012256,MCULE-7770179131	259.322	HKRYVPVSAFWITG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031478
CC1CCc2nn(Cc3cccc(C)c3F)c(N)c12	MCULE-5641655333,EMOLS-id_331010721	259.322	SHBGDETXOSWEHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031479
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(N)c12	EMOLS-id_331012000,MCULE-8254223709	259.322	FISNSODYQBHQIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031480
CC1CCc2nn(Cc3cccc(F)c3)c(CN)c12	MCULE-2186152231,EMOLS-id_330995639	259.322	JUOPPIWGOSSEKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031481
CC1CCc2nn(Cc3cccc(F)c3C)c(N)c12	MCULE-8995644170,EMOLS-id_331013025	259.322	AUNGGURSIWUYRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031482
CC1CCc2nn(Cc3ccc(F)cc3)c(CN)c12	EMOLS-id_330994614,MCULE-9988161113	259.322	CZZYMPXIADMHGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031483
CC1CCc2nn(Cc3ccc(F)cc3C)c(N)c12	MCULE-6363655805,EMOLS-id_331012768	259.322	IFGSFJFOSLMYQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031484
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(N)c12	EMOLS-id_331012512,MCULE-1989799271	259.322	DOJYNCIQUFEDMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031485
CC1CCc2nn(Cc3cc(F)ccc3C)c(N)c12	MCULE-5017166527,EMOLS-id_331013281	259.322	ZRWRPQCHPMHMIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031486
CC(c1ccccc1F)n1nc2CCC(C)c2c1N	EMOLS-id_331013549,MCULE-4151364470	259.322	GYVBFHNWDFLOGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031487
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1N	MCULE-5316705500,EMOLS-id_331012779	259.322	HSYUSWWUGHBRDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031488
Fc1ccc(Cn2nc3c(C(CC3)(C)C)c2N)cc1	PC-id_79866387	259.322	XZRMVXQTPBGPOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031489
Fc1cc(Cn2nc3c(C(CC3)(C)C)c2N)ccc1	PC-id_79866501	259.322	NSGQHRSLTGDMIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031490
C1Cc2c(C1C(=O)OCc1ccccc1)ncs2	PC-id_134448060,SCHEMBL20083680	259.324	UGQUWNMUCMXPNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031491
C1C(=O)C(c2c1scc2)NOCc1ccccc1	PC-id_90840483	259.324	FQEGIYZBIMTNRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031492
COc1ccc(CN2Cc3ccsc3C2=O)cc1	EMOLS-id_324560701,MCULE-7819530755	259.324	QQBVEKDHRPHJJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031493
COc1cccnc1C(=O)c1sc2c(c1)CCC2	PC-id_108212320	259.324	OYAVVLROPPUEBP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031494
COc1cncc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_115793533	259.324	FGPQXEPZUQBJEM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031495
Nc1sc2c(c1C(=O)c1ccccc1)C(OC2)C	PC-id_67300663,SCHEMBL2162192	259.324	PHLBVYIYOXEYPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031496
OC1Cc2c(C1=NOCc1ccccc1)ccs2	PC-id_59511528,SCHEMBL3523718	259.324	XVSHBOJFEZDSQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031497
OC1Cc2c(/C/1=N/OCc1ccccc1)ccs2	SCHEMBL13118003	259.324	XVSHBOJFEZDSQD-PFONDFGASA-N	00000010100000110000000010000000000000000000000000000000	25-01-031498
Oc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_314074370,PC-id_28739482	259.324	FVUSDCXPOUPISO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031499
Oc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_28739768,EMOLS-id_177218760	259.324	CVCUBRQXQZZEER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031500
OC(=O)C1CCc2c1nc(s2)Cc1ccccc1	PC-id_104287312	259.324	CPBCABNDFKYSTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031501
OC(=O)S1(C=Cc2c1[nH]cc2)Cc1ccccc1	PC-id_142698078	259.324	NDVMKLUCQWZWND-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-031502
s1c2C(Cc3ccccc3)C(=O)N(OC)c2cc1	PC-id_13814930	259.324	OCPLPUKSWCBNOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031503
s1c2CCCc2nc1Cc1ccc(cc1)C(=O)O	PC-id_24277434	259.324	OYIHDQPKZHHMFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031504
s1c2CCCc2nc1Cc1cc(ccc1)C(=O)O	PC-id_24277445	259.324	ZCHUWTRDPKHZTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031505
s1c2[C@H](NC(=O)c3ccccc3)[C@H](O)Cc2cc1	PC-id_11311490	259.324	IMYMIORFFRPBIA-VXGBXAGGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031506
s1c2C(NC(=O)c3ccccc3)C(O)Cc2cc1	PC-id_72796517	259.324	IMYMIORFFRPBIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031507
s1c(c2CN(Cc2c1)Cc1ccccc1)C(=O)O	PC-id_82372657	259.324	MHPVJSOYGQFEJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031508
CCn1c2CN(Cc2nc1S(=O)(=O)C(C)C)O	SCHEMBL17380126,PC-id_118613870	259.325	XBXBBMPHRGIQQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031509
CCS(=O)(=O)c1nc2c(n1C(C)C)CN(C2)O	PC-id_118613903,SCHEMBL17380162	259.325	OXVNFNYDTWAKIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031510
COCCNc1[nH]nc2c1CCC2S(=O)(=O)C	EMOLS-id_40959512,PC-id_65046773	259.325	LKRVLTRFTGLCBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031511
OCCN(S(=O)(=O)C)Cc1nn2c(c1)CCC2	EMOLS-id_319250599	259.325	QPOOXOXTAPEGTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031512
c1(NC(=O)c2ccccc2)n(C)nc2CSCc12	EMOLS-id_334567088,MCULE-1140002474	259.327	VVYSFOSKUPAMCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031513
c1(NC(=O)Cc2ccncc2)sc2c(CCC2)n1	PC-id_84569910,EMOLS-id_181477403,MCULE-7817877821	259.327	NKDUKFNWJGEZCN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031514
c1(NC(=O)Nc2ccccc2)sc2c(CCC2)n1	MCULE-1836013955,EMOLS-id_181473427,PC-id_84559527	259.327	LXLPKJZMGKTPHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031515
c1(sc2c(CNC2)n1)NC(=O)c1ccc(cc1)C	PC-id_82194029,MCULE-5882474178	259.327	LOAVVAGMIIHHJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031516
c1(snc2CCCc12)NC(=O)Nc1ccccc1	PC-id_54774489,MCULE-3517157558	259.327	XAVNEKGLEZVELI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031517
Cc1ccnc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318801476	259.327	ZVJQNJJRYLNSRH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031518
C#CCC(C(=O)Nc1sc2c(c1C#N)CCC2)N	EMOLS-id_261050917,PC-id_81776127	259.327	DTLBNLZKAVGLCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031519
C#CCNCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_71627762,EMOLS-id_315366965	259.327	YHLXTURUODPFKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031520
Nc1cccc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314140955,PC-id_54962773	259.327	MFOIYIISXKHCPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031521
Nc1ccc(cc1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314141211,PC-id_54962774	259.327	BJFRWRQFBSUWKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031522
Nc1ccc(cn1)NC(=O)c1sc2c(c1)CCC2	PC-id_62899365,EMOLS-id_301332930	259.327	PYPGDURXFOROOQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031523
Nc1ccc(nc1)NC(=O)c1sc2c(c1)CCC2	PC-id_43144601,EMOLS-id_315198330	259.327	BCIULNOBJDQIIW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031524
N#CCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-6095086704,EMOLS-id_328161148	259.327	AWWLNWSKPYJLHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031525
O=C(c1ccccc1N)Nc1sc2c(n1)CCC2	EMOLS-id_315221175,PC-id_61507326	259.327	IJMKNBOBILPKLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031526
O=C(c1cccnc1N)NC1Cc2c(C1)ccs2	SCHEMBL2456197,PC-id_21955878	259.327	VWBALXHVURAKRD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031527
O=C(c1c(N)sc2c1CCC2)Nc1ccccn1	PC-id_102360146	259.327	CYYLPSHZTLGBFA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031528
O=C(c1sc2c(c1)CCC2)Nc1ccncc1N	EMOLS-id_314236272,PC-id_63063452	259.327	ZCGYSAPWHXBOIU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031529
O=C(c1sc2c(c1)CCC2)Nc1ncccc1N	EMOLS-id_315848155,PC-id_113391835	259.327	OVRAYMUTQCDPHW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031530
s1c2CCCc2nc1NC(=O)c1ccc(nc1)C	PC-id_33041052	259.327	UBUHWHHRWBAOEI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031531
s1c2CCCc2nc1NC(=O)c1nc(ccc1)C	PC-id_33041145	259.327	JYJUUWAHAKVTJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031532
s1c2CNCc2nc1NC(=O)c1cc(ccc1)C	PC-id_82194035	259.327	PASHMVFGLOYMJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031533
s1c2CNCc2nc1NC(=O)c1c(cccc1)C	PC-id_82194085	259.327	BHFWKPRLHSKCGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031534
s1c2CN(Cc2nc1N)C(=O)c1ccc(cc1)C	PC-id_82194142	259.327	UERKRJKJCGVHEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031535
s1c2CN(Cc2nc1N)C(=O)c1cc(ccc1)C	PC-id_82194148	259.327	WCTAXJMKPNVTLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031536
s1c2CN(Cc2nc1N)C(=O)c1c(cccc1)C	PC-id_82194195	259.327	HSUSWVSARVTYJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031537
s1c2CNCc2nc1NC(=O)Cc1ccccc1	PC-id_82194047	259.327	XCYVIFQQFISHMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031538
s1c2CN(Cc2nc1N)C(=O)Cc1ccccc1	PC-id_82194160	259.327	ILPWPGDSEUXLJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031539
S1c2n(CC1)c(CC(=O)c1ccccc1)c(n2)N	PC-id_86131737	259.327	ZHVCPGHCSOEXGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031540
S1c2n(nc(n2)CCc2ccc(cc2)C)C(=O)C1	PC-id_82357977	259.327	RNPZUXDZHLOTGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031541
s1c(Nc2ccccc2)c2CCN(c2c1N=O)C	PC-id_2088694	259.327	NDBIQFRAVALHFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031542
S=C(Nc1onc2CCCc12)Nc1ccccc1	PC-id_58664489	259.327	NHUNCKJDJHPTLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031543
CC(c1nnc2n1CCC2)NS(=O)(=O)N(C)C	EMOLS-id_110152755	259.329	MOFVNBQIBTYAFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031544
Cc1nsc(N[C@@H]2C[C@@H](C)n3ccnc23)c1C#N	ZINC22_333759913	259.33	ZMXDSGIJTHZHAZ-GMSGAONNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031545
Cc1nsc(N[C@@H]2C[C@H](C)n3ccnc23)c1C#N	ZINC22_333759917	259.33	ZMXDSGIJTHZHAZ-OIBJUYFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031546
Cc1nsc(N[C@H]2C[C@@H](C)n3ccnc23)c1C#N	ZINC22_333759918	259.33	ZMXDSGIJTHZHAZ-XCBNKYQSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031547
Cc1nsc(N[C@H]2C[C@H](C)n3ccnc23)c1C#N	ZINC22_333759919	259.33	ZMXDSGIJTHZHAZ-XVKPBYJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031548
N#Cc1c(snc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101345280,MCULE-3000400749	259.33	ZMXDSGIJTHZHAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031549
s1c2CCCc2nc1Nc1n(nc(c1C#N)C)C	PC-id_63751139	259.33	QKFJTJZOEVBOMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031550
Cc1cc2c(s1)S(=O)(=O)N(C2=O)C(C)(C)C	PC-id_23331883,SCHEMBL11457571	259.345	KEDDJFQKCDTPGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031551
CCCC1(Cc2c(S1(=O)=O)scc2)C(=O)N	SCHEMBL9458938,PC-id_19759893	259.345	NLEXDSXJWVQBKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031552
CCCCN1C(=O)c2c(S1(=O)=O)sc(c2)C	SCHEMBL11048677,PC-id_20471859	259.345	CUMQVPWSECBXHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031553
CCCNC(=O)c1sc2c(c1)CS(=O)(=O)C2	PC-id_6623259,ChEMBL-DNDi_CHEMBLC771-0073	259.345	LQMWZNZMZNHMIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031554
CC(NC(=O)c1sc2c(c1)CS(=O)(=O)C2)C	PC-id_6619891,ChEMBL-DNDi_CHEMBLC771-0072	259.345	CQFNDGMJVMNKSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031555
CCS(=O)(=O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_111730144	259.345	CFPJVBMXHVWUTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031556
c1(c2CCCc2n[nH]1)C(=O)N1CC=CC1CCCC	EMOLS-id_82704209,MCULE-9910975347,PC-id_119060211	259.347	STRDCKMMRYHCAE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-031557
c1(CN(C)CCCc2ccco2)c2CCCc2[nH]n1	ZINC22_252500805,EMOLS-id_55625158,PC-id_91831696,MCULE-9768732126	259.347	TVPPHCSBFXXGCX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031558
c1(C(=O)NC2CC2)c2CCCc2n(CC2CCC2)n1	EMOLS-id_324389719,MCULE-8513209913	259.347	LGYSKBORSSTDGE-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-031559
c1(C(=O)NCCC2=CCCCC2)c2CCCc2[nH]n1	EMOLS-id_179744503,MCULE-6863536836,PC-id_110388808	259.347	JLLKQKZZGIQISU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031560
c1(C(=O)NCCC2=CCCCC2)cn2c(CCC2)n1	EMOLS-id_321295571,MCULE-3912713860	259.347	XDAPKWJSHUVRSZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031561
C=C1CCC(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319353763	259.347	MBSZYEDMWFSOCZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-031562
CC(C1CCCOC1)n1nc2CCC(C)c2c1C#N	MCULE-7177739036,EMOLS-id_331003319	259.347	IEQFHAYPNNMXRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-031563
CC(C1CCOCC1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002807,MCULE-9136921081	259.347	TWHYNAPKLDBJBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-031564
CCCC[C@@H]1C=CCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_426389502	259.347	STRDCKMMRYHCAE-LLVKDONJSA-N	00000011100000000001000010000000000000000000000000000000	25-01-031565
CCCC[C@H]1C=CCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_426389503	259.347	STRDCKMMRYHCAE-NSHDSACASA-N	00000011100000000001000010000000000000000000000000000000	25-01-031566
O=C(C1(CCC1)C1CCC1)NC1CCn2c1ncc2	EMOLS-id_316871807,MCULE-6474149685	259.347	UEWSMIRJQACANN-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-031567
O=C(C1CCCC2C1C2)NCc1n[nH]c2c1CCC2	MCULE-4057061293,EMOLS-id_320048790	259.347	GVYSNBUOLWPFGT-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-031568
O=C(C1(C)CCC=CC1)NCc1cnc2n1CCC2	EMOLS-id_319726475	259.347	SHYXIRUQKGAUDW-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031569
O=C(C1CCC=CCC1)NCc1cnc2n1CCC2	MCULE-7706812856,EMOLS-id_320282968	259.347	CHUXDMMTLKDMEE-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-031570
O=C(C1(C)CCC=CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319523832	259.347	ZRGZJRIZZBKMHR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031571
O=C(C1CCC=CCC1)NCc1n[nH]c2c1CCC2	MCULE-8431433706,EMOLS-id_320142020	259.347	QXDJGMQTQAMUBH-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-031572
O=C(c1n[nH]c2c1CCC2)NC(C1CC1)C1CCC1	EMOLS-id_101500332	259.347	SPGPTKHLCCRVQL-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-031573
O=C(c1n[nH]c2c1CCC2)NCC1(CCC1)C1CC1	EMOLS-id_97777404	259.347	JVDHSJFEHHNYMG-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-031574
O=C(c1n[nH]c2c1CCC2)NC[C@@H]1C[C@H]1C1CCC1	EMOLS-id_102126382	259.347	QVTLBZQCWMLDGU-JQWIXIFHSA-N	00101010100000000001100010000000000000000000000000000000	25-01-031575
O=C(C(C1CC1)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_320023434,MCULE-3147870944	259.347	DQWBLAMFVMLTCU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031576
O=C(C(C1CC1)C1CC1)NCc1n[nH]c2c1CCC2	MCULE-4334880217,EMOLS-id_320239891	259.347	DHXMGLGNJPUAEL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031577
O=C(CC1CCC2C1C2)NCc1n[nH]c2c1CCC2	EMOLS-id_319230488	259.347	CNIJDVYXPWWNPU-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-031578
O=C(CC1CCC=CC1)NCc1cnc2n1CCC2	EMOLS-id_318854372	259.347	HJVIEKFJULHACU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031579
O=C(CC1=CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319264436	259.347	LRASLJJPQYCPAT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031580
O=C(CC1=CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319976755,MCULE-4838572037	259.347	OGNRPQWRTWURKT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031581
O=C([C@@H]1C[C@H]1C1CCC1)NCc1cnc2n1CCC2	EMOLS-id_320103082,MCULE-8855116426	259.347	MKSIXYHNXSRWCO-QWHCGFSZSA-N	00101010100000000001100010000000000000000000000000000000	25-01-031582
O=C([C@@H]1C[C@H]1C1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320203952,MCULE-3570233003	259.347	LNSGQUKSENXWLW-NWDGAFQWSA-N	00101010100000000001100010000000000000000000000000000000	25-01-031583
O=C(N[C@@H]1CCn2ccnc12)C1(C2CCC2)CCC1	ZINC22_1588008193	259.347	UEWSMIRJQACANN-GFCCVEGCSA-N	00001010100000000001100010000000000000000000000000000000	25-01-031584
O=C(N[C@H]1CCn2ccnc12)C1(C2CCC2)CCC1	ZINC22_1588008194	259.347	UEWSMIRJQACANN-LBPRGKRZSA-N	00001010100000000001100010000000000000000000000000000000	25-01-031585
O=C(Cc1[nH]c(=S)n2c1CCC2)NS(=O)C	PC-id_139293379,SCHEMBL21135856	259.348	ACAVAOUBFYIJKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031586
S(=O)(=O)([n+]1[nH]c(NCC)c2c1CCC2)N(C)C	PC-id_58824823	259.348	LONPYXJVTZFSNI-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-031587
Cc1n[nH]c(C)c1CCc1nnc2CC(C)(C)Cn12	ZINC22_1800414899,EMOLS-id_323886230,MCULE-1577485774,PC-id_139598534	259.35	XRSBSNXBSSPNNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031588
CCc1c(C)[nH][nH]c1=NCc1c2c(nn1C)CCC2	EMOLS-id_324031340,ZINC22_1875283810,MCULE-7366206929,PC-id_146104734	259.35	CFGCRYHTFDCJDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031589
CN(C)Cc1nn(C)c2c1CN(Cc1ccc[nH]1)C2	ZINC22_96259075,EMOLS-id_44369698,PC-id_97519165	259.35	DBLGWDGKJUVQKP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031590
n12CCCc1nnc2C(NCc1cn(cc1)CC)C	PC-id_66414369	259.35	ZXAQRWVTIUHURK-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031591
n12CCCc1nnc2C(NCc1n(CC)ccc1)C	PC-id_66412535	259.35	PIOUFQZKFITXQI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031592
FC(CNCc1csc2c1C(C)CC2(C)C)F	PC-id_106664695	259.358	LUBLHGPUCKLRJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031593
Cc1[nH]c(c(c1C)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_314933045,PC-id_63926047	259.367	BXTFVKOKIJJTQS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-031594
CCC1CCc2c1nc(s2)C(c1ccccc1)O	PC-id_116177055	259.367	ZXQGCJMEYCVBDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031595
C#CCN(C(=O)c1sc2c(c1)CCC2)CC1CC1	EMOLS-id_314728659,PC-id_113330103	259.367	SMOGZGINPVTZKO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-031596
COc1cccc(c1)C(c1sc2c(c1)CCC2)N	PC-id_115785358	259.367	KYWIJXNPXRXJAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031597
COc1ccccc1C(c1sc2c(c1)CCC2)N	PC-id_115792604	259.367	GZLXQFZPODJMEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031598
COc1ccc(cc1)CSC1Cc2c(C1)c[nH]c2	PC-id_145826545	259.367	RKTHGMMZQVGKOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031599
Oc1ccccc1CNCc1sc2c(c1)CCC2	PC-id_61206828,EMOLS-id_315139199	259.367	BHZSFQHVRXQKQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031600
Oc1ccc(cc1)CNCc1sc2c(c1)CCC2	PC-id_61207572,EMOLS-id_314880207	259.367	FGCGRUALRJRJON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031601
Oc1cccc(c1)CNCc1sc2c(c1)CCC2	PC-id_61208349,EMOLS-id_314100420	259.367	HFQVSANETOIMRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031602
s1c2c(CCC2)cc1C(N)c1ccc(OC)cc1	PC-id_43384333	259.367	HTMXCEHULRVBSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031603
s1c2c(CCC2)cc1C(O)C(c1ccncc1)C	PC-id_66460486	259.367	MLUSZTAUFCPSLA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031604
s1c2c(CCC2)cc1C(O)Cc1ncccc1C	PC-id_66459490	259.367	UPMJISSIEJVCTR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031605
s1c2c(CCC2)cc1C(O)Cc1ncc(cc1)C	PC-id_66459922	259.367	HAGVVEWJDYFCHI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031606
s1c2c(CCC2)cc1C(O)C(c1ncccc1)C	PC-id_66461314	259.367	HZJSHDNAXCSAOF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031607
s1c2c(nc1C(O)c1ccccc1)C(CC2)(C)C	PC-id_79863050	259.367	KSQKFEQOHKWZNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031608
S(c1[nH]cc2c1CCC2)Cc1ccc(OC)cc1	PC-id_22400214	259.367	XVULTIGURUEOTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031609
Cc1cc(NCc2sc3c(c2)CCC3)nc(n1)C	EMOLS-id_314100677,PC-id_61208762	259.37	VQHWVMTYCMOBNI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031610
Cc1cnc(c(c1)N)NCc1sc2c(c1)CCC2	PC-id_108189801	259.37	OHNOSGBNBYPRET-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031611
Cc1cnc(c(n1)NCc1sc2c(c1)CCC2)C	EMOLS-id_314613223,PC-id_65418836	259.37	JHVLKZOKXKORSI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031612
Cc1nccc(n1)CNCc1sc2c(c1)CCC2	EMOLS-id_314240809,PC-id_62748241	259.37	MUAWLVGJJOFEQG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031613
Cc1nc(NCc2sc3c(c2)CCC3)ccc1N	PC-id_114049762	259.37	SSHISGHTLUAWBR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031614
Cc1nc(NCc2sc3c(c2)CCC3)cnc1C	PC-id_114475481	259.37	WURZFWJXVKSASP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031615
Cc1nc(NCc2sc3c(c2)CCC3)nc(c1)C	PC-id_61208375,EMOLS-id_314100933	259.37	XAMLYHZTVWVSQM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031616
CCc1ncnc(c1)NCc1sc2c(c1)CCC2	EMOLS-id_314049243,PC-id_61241853	259.37	YDYXPXYPJXDUCK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031617
C=Cn1ncc(c1)CNCc1sc2c(c1)CCC2	PC-id_113895084	259.37	AZACTDNVTCBGKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031618
CCNC(c1sc2c(c1)CCC2)c1cncnc1	PC-id_113664384	259.37	MIKIYOSEEIUTNM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031619
CCNC(c1sc2c(c1)CCC2)c1nccnc1	PC-id_115860618	259.37	YCDDIGXQZJRRPL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031620
CN(Cc1ccncc1)Cc1nc2c(s1)CCC2	ZINC22_195561989,MCULE-9672904510,PC-id_86790248,EMOLS-id_49936108	259.37	BPBGEMSKGKJZEJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031621
CNC(c1sc2c(n1)CCC2)c1ccc(nc1)C	PC-id_104822873	259.37	QVGJJUMWPPLAEE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031622
Nc1c(C)ccnc1NCc1sc2c(c1)CCC2	PC-id_114051205	259.37	BHRZKLUQYXQURB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031623
Nc1cnc(c(c1)C)NCc1sc2c(c1)CCC2	PC-id_114049017	259.37	KWBGMLAPTACYBG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031624
NNC(c1cnccc1C)c1sc2c(c1)CCC2	PC-id_105320535	259.37	BVUPEOLMCGIJFA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031625
NNC(c1sc2c(c1)CCC2)c1ccc(nc1)C	PC-id_105305486	259.37	KVCVAQDCHOWFLJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031626
NNC(c1sc2c(c1)CCC2)c1cncc(c1)C	PC-id_105328536	259.37	UZEHBVFVAJHVNO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031627
NNC(c1sc2c(c1)CCC2)Cc1ccccn1	PC-id_105315305	259.37	UCVADGRITRJCJG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031628
NNC(c1sc2c(c1)CCC2)Cc1cccnc1	PC-id_105333683	259.37	FBIQDCMAHKCYNK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031629
NNC(c1sc2c(c1)CCC2)Cc1ccncc1	PC-id_105317493	259.37	XHQKLGNYMDLRBL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031630
s1c2c(CCC2)cc1CNC(C)c1nccnc1	PC-id_64190494	259.37	JACPEVWVFFBYCL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031631
s1c2CCCc2nc1C(NC)c1c(ccnc1)C	PC-id_81743094	259.37	KYYQAJIABUDEFB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031632
s1c2CCCc2nc1C(NCC)c1cccnc1	PC-id_61332032	259.37	ONZUOGMHGSMPNG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031633
s1c2CN(Cc2nc1N)CCCc1ccccc1	PC-id_82194312	259.37	NTHAXQRXWVSXEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031634
CC(c1cc2c(s1)S(=O)(=O)N(C2)C(C)C)C	PC-id_90310345,SCHEMBL15912390	259.388	OUGZZQXMDCUVLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031635
CC(c1sc2c(c1)S(=O)(=O)N(C2)C(C)C)C	SCHEMBL15912325,PC-id_90310288	259.388	SMZDIHJDCZPKTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031636
CS(=O)(=O)CCNCc1sc2c(c1)CCC2	PC-id_61206861,EMOLS-id_38138623	259.388	AROQPADUTXGLFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031637
NC(c1sc2c(c1)CCC2)CCS(=O)(=O)C	PC-id_115848183	259.388	XBHGVWOQUVCVLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031638
s1c2c(CCC2)cc1CNS(=O)(=O)CCC	PC-id_61940932	259.388	VKUGZYQEFWQNFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031639
S(=O)(=O)(NCc1sc2c(CCC2)c1)C(C)C	PC-id_61940738	259.388	WHPXPKUPPSPKCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031640
C1CCC(C1)C(C1CCC1)NC1CCn2c1ncc2	EMOLS-id_317976950	259.39	ZOHDKPZORBLSDT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-031641
CC(c1nn2c(c1)CCC2)NCC(C1CC1)C1CC1	EMOLS-id_316902026	259.39	JTEWNDWJDLGMPM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031642
CC([Si](C1C=C[c-]2c1ccc2)(C(C)C)C(C)C)C	PC-id_102273496	259.482	YWFUHSCAVUENPV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-031643
Clc1ccc(cc1)C(=O)c1ccc2n1CCC2=O	PC-id_54199234,SCHEMBL8829534	259.688	POALBBXDXLKJPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031644
ClCC(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_30470551	259.709	GYIABFVGVZEILQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031645
ClCC(=O)NC(=O)Nc1sc2CCCc2n1	PC-id_61510340,EMOLS-id_38357877	259.713	AJDJPLJLQCLVNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031646
O=CNc1sc2c(c1C(=O)N)CN(C2)CCl	SCHEMBL18902098	259.713	ZBSOXDWDSWPBJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031647
Clc1cc2n(c1C(=O)c1ccccc1)CCC2C	SCHEMBL10934155,PC-id_70476346	259.731	YFVVRNFOGOKESL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031648
CCOC(=O)CNC1CCc2c1cc(s2)Cl	PC-id_81252286,EMOLS-id_314390396	259.752	YBHAJBROMURCRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031649
Clc1sc2c(C(NCCCC(=O)O)CC2)c1	EMOLS-id_315491533,PC-id_81252177	259.752	SLWXSYUMXXYZAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031650
Clc1sc2c(C(NC(C)C(=O)OC)CC2)c1	PC-id_81251522	259.752	DJNFGRBPQMRWKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031651
Clc1sc2c(C(NCCC(=O)OC)CC2)c1	PC-id_81251597,EMOLS-id_314786500	259.752	PJQYJZGZVHHACU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031652
Clc1sc2c(C(N[C@@H](C)C(=O)OC)CC2)c1	PC-id_81252687	259.752	DJNFGRBPQMRWKY-UUEFVBAFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031653
OC1COCC1NC1CCc2c1cc(s2)Cl	PC-id_115923447	259.752	KDDHHCNUJMRLNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031654
Clc1sc2c(C(NCCNC(=O)N)CC2)c1	PC-id_83110913,EMOLS-id_315787866	259.756	IVCMVGSPPPPYIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031655
CN(c1c2CSCc2n[nH]1)C(=O)CCCCl	SCHEMBL18366310	259.756	VBKPIJIHBBFUIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031656
CC(CCCNC1CCc2c1cc(s2)Cl)O	PC-id_107270417	259.795	CELZUYBDZGZLFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031657
CCCC(CNC1CCc2c1cc(s2)Cl)O	PC-id_116264496	259.795	MVNZPMJOBNQSEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031658
CCC(CCNC1CCc2c1cc(s2)Cl)O	PC-id_116279531	259.795	QUKCJOFKDPXYAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031659
CC(C(CO)C)NC1CCc2c1cc(s2)Cl	PC-id_116184247	259.795	KOMRABDWVZFRNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031660
CC(NC1CCc2c1cc(s2)Cl)CC(O)C	PC-id_104105687	259.795	QGXGJGSQQKDBFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031661
CCOCCCNC1CCc2c1cc(s2)Cl	EMOLS-id_314798032,PC-id_81252884	259.795	NKGNNACBIYQHDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031662
CC(OCC)CNC1CCc2c1cc(s2)Cl	PC-id_116125312	259.795	XVHMLESGDFPUST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031663
CC(OCCNC1CCc2c1cc(s2)Cl)C	PC-id_104584826	259.795	JVVTZNSPCQRNTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031664
Clc1sc2c(C(NC(C(C)C)CO)CC2)c1	PC-id_81251537	259.795	CVEZOZMOHFKEMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031665
Clc1sc2c(C(NC(CCCO)C)CC2)c1	PC-id_81251868	259.795	FVMZWVZVWIVRFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031666
Clc1sc2c(C(NCCCCOC)CC2)c1	PC-id_81252188,EMOLS-id_314326396	259.795	OTFOFSZESGYLJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031667
Clc1sc2c(C(NCC(CCO)C)CC2)c1	PC-id_81252200	259.795	QRMAMSAREACVGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031668
Clc1sc2c(C(NC(CC)COC)CC2)c1	PC-id_81252708	259.795	HBXHLUQGIOFHCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031669
Clc1sc2c(C(NCC(COC)C)CC2)c1	PC-id_81251620	259.795	MAONELACVNZROA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031670
Clc1sc2c(C(NC(CCOC)C)CC2)c1	PC-id_81251864	259.795	ORVXCOFORPQVLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031671
Clc1sc2c(C(NC(COCC)C)CC2)c1	PC-id_81252402	259.795	RHKKYNRLTNLPIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031672
Clc1sc2c(C(NCC(O)(CC)C)CC2)c1	PC-id_81252921	259.795	HQCHWTHMSMAUCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031673
Clc1sc2c(C(N[C@@H](C(C)C)CO)CC2)c1	PC-id_81251631	259.795	CVEZOZMOHFKEMP-QVDQXJPCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031674
COC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_115892042	259.795	LEFXWBCQUYAAFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031675
OCCCCCNC1CCc2c1cc(s2)Cl	PC-id_107303187	259.795	XDZQRMRHNUJCHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031676
OC(C(C)C)CNC1CCc2c1cc(s2)Cl	PC-id_115891586	259.795	PAVMIXJZUUURIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031677
OCC(CNC1CCc2c1cc(s2)Cl)(C)C	EMOLS-id_315675769	259.795	CYSGETDTUAXEOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031678
OCCC(NC1CCc2c1cc(s2)Cl)CC	PC-id_116264303	259.795	BDFAIEKWJIBPKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031679
Clc1sc2c(c1)C(CC2)NC1CSCC1	PC-id_103902679	259.819	MMRILNXKSSIQJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031680
CC1=C(OC2=C1OS(=O)(=O)C2)CCC(=O)OC	PC-id_154970786	260.035	QVVIOSWKOXNVHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031681
COC(=O)c1nn2CC(=O)Nc2c1Br	PC-id_137239205	260.045	ZVOGYLKEQROMRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031682
CC1=CC=C(C=C1)S(=O)(=O)C2C=NC3=CC=CN23	PC-id_153952180	260.062	RLEUVDUOIRGBMJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-031683
Brc1n(cc2C(O)(CCc12)C(=O)O)C	PC-id_83913307	260.085	MMCGXDDWTUICQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031684
Brc1[nH]cc2C(O)(CCc12)CC(=O)O	PC-id_83913306	260.085	POBAEWGEKSCQMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031685
Brc1oc2c(C(N)(CC2)C(=O)OC)c1	PC-id_83913310	260.085	IMWPJDMKKRQZNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031686
Brc1oc2C(N)(CCc2c1)C(=O)OC	PC-id_83913309	260.085	CCRUXKRYYJMCIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031687
BrC1(Oc2c([nH]cc2)C1)C(=O)OCC	PC-id_70159654,SCHEMBL7674548	260.085	UIVGHBXFHXHHJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031688
Brc1n(nc2c1C(N)(CC2)C(=O)O)C	PC-id_83913317	260.088	RYLHNLWRCHYEFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031689
Brc1nn(c2CCC(N)(c12)C(=O)O)C	PC-id_83913318	260.088	BRHUMFUNHRXXDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031690
Brc1n[nH]c2CCC(N)(c12)C(=O)OC	PC-id_83913315	260.088	PVMNKBWMZUEYDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031691
c12CN(Cc1nn(C)c2Br)C(=O)OC	EMOLS-id_324339308,MCULE-1618950710	260.088	XOBXXXOUQUDCNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031692
CCOC(=O)c1c2NCCn2nc1Br	SCHEMBL18740006,PC-id_137221515	260.088	YKDOUSZVCGVGCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031693
CCOC(=O)c1nn2CCNc2c1Br	PC-id_137196160	260.088	NYTNIXIGNJVCLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031694
C1CC2=CN=CN2C1C(=O)OCC3=CC=C(C=C3)F	PC-id_153916846	260.096	IMDCGBZGDUNKBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031695
C[C@@H](CSC1N=NC2=[N+]1NC=N2)C3=CC=CC=C3	PC-id_164513190	260.096	HXUNSBJOYWQZNE-QHGLUPRGSA-O	00000011100000110001000010000000000000000000000000000000	25-01-031696
CC(=O)N1CC(=O)c2c1cc(s2)Br	PC-id_97749900	260.108	LRPZRYLRHJPVOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031697
O=Cc1sc(c2c1C(=O)CN2C)Br	PC-id_97749902	260.108	KSNFWASUTJAXMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031698
ClC(=CCNC(=O)c1n[nH]c2c1CCC2)Cl	EMOLS-id_319776601	260.12	CTWQEJATFZEZOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031699
BrCc1noc2c1C(C)(C)OC2(C)C	PC-id_80463531,EMOLS-id_107793529	260.128	UHVCMTQQLHEFHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031700
BrCCCn1c(O)c2c(CCC2)c1O	PC-id_54147168	260.128	OFEZCHRWIQJDGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031701
Brc1n(nc2c1C(O)(CC2)CCN)C	PC-id_83913327	260.131	KMOJAAHXKPHJRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031702
Brc1nn(c2c1C(O)(CC2)CCN)C	PC-id_83913328	260.131	DCHNFIBHXMPZLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031703
c1(C(CNC)O)nc2n(CCC2)c1Br	MCULE-5213246146	260.131	BUXWEIOXBNBAKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031704
Clc1nc2n(c1S(=O)(=O)Cl)CC[SH]2	SCHEMBL6872969	260.141	SGXLOUUATLBUPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031705
Brc1c2CCCc2sc1C(=O)CN	PC-id_84806523	260.151	UUHDKZXRLSIPNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031706
c1(C(=O)NC)c2CCCc2sc1Br	EMOLS-id_331061031,MCULE-2745713144	260.151	FPQOVFQLQVFGNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031707
c1(C(=O)NC)c(Br)c2c(CCC2)s1	MCULE-3460728290,EMOLS-id_330869583	260.151	RCZKCHVQMIBPFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031708
c1(NC(=O)CBr)cc2c(CCC2)s1	MCULE-6685215258,PC-id_82108639	260.151	AGCKLNMSWFXTPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031709
CCON=C1CCc2c1cc(s2)Br	EMOLS-id_114841590	260.151	URJOIGFJZNAYJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031710
Brc1c2CCCc2sc1CCCN	PC-id_84806543	260.194	WYGSURNNSOLUEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031711
Brc1c2CCCc2sc1CCNC	PC-id_84806541	260.194	ZTEZCKMIZCWYLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031712
Brc1c2CCCc2sc1C(CN)C	PC-id_84806544	260.194	GXSHIZXXPYLINW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031713
Brc1c2CCCc2sc1C(N)(C)C	PC-id_84806553	260.194	LZVOYIOLSXVIHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031714
Brc1c([nH]c2c1CSC2)C(C)(C)C	PC-id_84806537	260.194	JINARXQCJAERNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031715
c1(C(=O)OC)nn2c(CC(F)(F)C2)c1C(=O)OC	EMOLS-id_317867253,MCULE-8197893007	260.194	FODCSFIPSMWWCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031716
CC1CC(c2c1c(N)c(s2)Br)(C)C	PC-id_106664696,EMOLS-id_96721580	260.194	PWTIZKYYLFJEET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031717
CCC1CCc2c1c(CN)c(s2)Br	EMOLS-id_96637468,PC-id_114748659	260.194	HWNUNECGDIHMGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031718
CCCNC1CCc2c1cc(s2)Br	EMOLS-id_261997012	260.194	RRTJAXVAGPNDSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031719
CC(NC1CCc2c1cc(s2)Br)C	EMOLS-id_96745003	260.194	MRYOCYBHJCWJDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031720
NCc1c(Br)sc2c1C(C)(C)CC2	PC-id_114748643,EMOLS-id_96637459	260.194	PRMNPEFSOKCWTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031721
OC[C@@H]1[C@@H](C)n2c([C@@]1(O)C(F)(F)F)cc(c2)C#N	PC-id_102046438	260.212	VHUIRRWWJRUGAW-GTNGPMTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031722
FC(F)(F)CNC(=O)NN=C1CCn2c1ccc2	EMOLS-id_44538811,MCULE-6249030685,PC-id_71890731	260.216	ZIGPEDOOPJTDFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031723
FC(F)(F)CNC(=O)N/N=C
/CCn2c1ccc2	PC-id_75363737	260.216	ZIGPEDOOPJTDFJ-CHHVJCJISA-N	00000010100000000000000010000000000000000000000000000000	25-01-031724
O=C(C1NCc2c1c[nH]n2)N[C@@H]1C[C@H]1C(F)(F)F	EMOLS-id_319082306	260.216	RSWYLEYOQPEYQS-LPBDRPKESA-N	00100010100000000001000010000000000000000000000000000000	25-01-031725
C1Cc2c(C1NC(=O)C(F)(F)F)cc(s2)C#N	PC-id_87802548,SCHEMBL5268125	260.236	OXUQSIKZBAWHBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031726
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C#N	SPECS-id_AN-153/I120913,PC-id_621333,EMOLS-id_2017537,CoCoCo_674032,SPECS-id_AG-690/11663674,ZINC22_60922,MCULE-8923356805,SPECS-id_AT-084/J158737	260.236	QWZHTJXNBFZNCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031727
s1c2CCC(NC(=O)C(F)(F)F)c2cc1[N+]#[C-]	PC-id_58686860	260.236	OYFZWFOABNOLAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031728
C1Cn2c(c(c(=O)n2C1)N=C1C=CC(=O)CC1=O)N	PC-id_90930895	260.249	USIUVUTYTDAJIC-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031729
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccco1	SCHEMBL2922367,PC-id_9856498	260.249	JITZECKOWCMXCE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031730
O=C1C=C/C(=N/c2c(=O)n3n(c2N)CCC3)/C(=C1)O	SCHEMBL3853872	260.249	AHBMBKZYFUAIOX-ZSOIEALJSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031731
O=C1C=CC(=Nc2c(=O)n3n(c2N)CCC3)C(=C1)O	SCHEMBL3853876	260.249	AHBMBKZYFUAIOX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031732
O=c1n2n(CCC2)c(N)c1/N=C
/C(=CC(=O)C=C1)O	PC-id_57577961	260.249	AHBMBKZYFUAIOX-RIYZIHGNSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031733
COc1nccc(n1)NC(=O)N1CCn2c1ncc2	MCULE-7673163899,EMOLS-id_320227539	260.252	NNAPMBVADGMZBN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031734
O=C(NCc1n2CCCc2nn1)C1N=CC=NC1=O	PC-id_75770529	260.252	PPXMOWYZSQTOFL-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031735
O=C(NCc1n2CCCc2nn1)c1ncc[nH]c1=O	PC-id_52024794	260.252	UPYLERBKPQVVJP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031736
O=C(NCc1n2CCCc2nn1)C1N=NC(=O)C=C1	PC-id_75133234	260.252	XPGCISCSTFTZQD-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031737
O=C(NCc1nnc2n1CCC2)c1ccc(=O)[nH]n1	ZINC22_40490017,EMOLS-id_31878662,PC-id_45806282,MCULE-6189196093,CoCoCo_4658136	260.252	UTNDFXHUMZPIEC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031738
O=[N+]([O-])c1ccc(NCc2nnc3n2CCC3)nc1	PC-id_18207402,MCULE-3112346336,EMOLS-id_44039233,ZINC22_25005893	260.252	LCHPHNNQIKQBBJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031739
[O-][N+](=O)c1c(NCc2n3CCCc3nn2)nccc1	PC-id_24607028	260.252	XWGWWWOKFFVBOS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031740
CCC(C(F)(F)F)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319079101	260.256	SMZHWHZQBIFVLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031741
c12CN(Cc1nn(CC1CC1)c2N)CC(F)(F)F	EMOLS-id_324339812,MCULE-2243460207	260.259	NYABDMIUCTTXBT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-031742
Fc1c(Cc2[nH]c3CCC(c3n2)C(=O)O)cccc1	PC-id_84010894	260.264	KSWKJFGUMBKCJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031743
Fc1ccc(CC(=O)Nc2onc3CCCc23)cc1	PC-id_16942391,CoCoCo_5123858	260.264	KWPHFVQABQNEML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031744
Fc1ccc(Cn2nc3c(CCC3)c2C(=O)O)cc1	PC-id_82301431	260.264	JOQVBFHZKMLMLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031745
Fc1ccc(Cn2nc(c3c2CCC3)C(=O)O)cc1	PC-id_82301433	260.264	JRNCRNSYGGAUJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031746
Fc1c(Cn2nc3c(CCC3)c2C(=O)O)cccc1	PC-id_82301427	260.264	DVDRQDRMPAWQQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031747
Fc1c(Cn2nc(c3c2CCC3)C(=O)O)cccc1	PC-id_82301429	260.264	VKAIPHZPJJLILG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031748
Fc1ccc(cc1)NC(=O)c1nn2c(c1)N(CC2)C	SCHEMBL20852344,PC-id_138502480	260.267	IKIFVHLJVAUHSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031749
Fc1ccc(nc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318378070	260.267	MKGXKFCBALMJTP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031750
Fc1c(C(=O)NCc2n3CCCc3nn2)cccc1	PC-id_17532787	260.267	LYUHPIQYJIYFLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031751
Fc1cncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319397588	260.267	YLPSYWGMXJLVQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031752
O=C(c1ncccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319841691,MCULE-8343937910	260.267	MYNFFXNXFYBORK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031753
O=C(NCc1nnc2n1CCC2)c1cccc(F)c1	EMOLS-id_24106211,PC-id_25619006,MCULE-4854732376,CoCoCo_4491055,ZINC22_12937410	260.267	CZVMOLAHQXYSRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031754
O=C(NCc1nnc2n1CCC2)c1ccc(F)cc1	EMOLS-id_31867746,PC-id_17505543,MCULE-8622271768,ZINC22_15520160	260.267	IYDGMKPGBBEDJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031755
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)O	SCHEMBL6628231	260.269	WTUNUBPITUDLJK-DAXSKMNVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-031756
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)O	SCHEMBL6628237,PC-id_18627001	260.269	WTUNUBPITUDLJK-QPJJXVBHSA-N	00000010110000000000000010000000000000000000000000000000	25-01-031757
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)O	SCHEMBL6628240,PC-id_69844590	260.269	WTUNUBPITUDLJK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-031758
n12ncnc1sc(=CNc1ccccc1O)c2=O	MCULE-1928486958	260.272	DWHHLNODDANNOC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031759
n12ncnc1sc(=CNc1cccc(O)c1)c2=O	MCULE-7965039405	260.272	LBNRCDGSEHWWED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031760
O=c1/c(=C/Nc2ccccc2O)/sc2ncnn12	ZINC22_618254543	260.272	DWHHLNODDANNOC-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031761
O=c1/c(=C/Nc2cccc(O)c2)/sc2ncnn12	ZINC22_618254964	260.272	LBNRCDGSEHWWED-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-031762
N#Cc1c(sc2c1CCC2)NC(=O)c1[nH]nnn1	PC-id_80373653,EMOLS-id_314964135	260.275	DEKNZBBDXMXTJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031763
C1C(C(=O)c2c1scc2)C(=O)c1ccccc1F	PC-id_86699213,SCHEMBL15312231	260.283	JTUPGUDYOIRXBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031764
C1C(C(=O)c2c1scc2)C(=O)c1ccc(cc1)F	SCHEMBL15312304,PC-id_86699215	260.283	AXPNGXAQDFKWKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031765
S1c2n(C(C1=N)C(=O)c1c(F)cccc1)ccc2	PC-id_10611354	260.287	RZXZHUMLUAWLAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031766
S(=O)(=O)(c1sc(c2c1C(=O)CC2)C(=O)O)C	PC-id_83671308	260.287	XLDYXXSBAFFOHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031767
s1c(C(=O)c2n3CCC(c3cc2)C(=O)[O-])ccc1	PC-id_20356115	260.288	ISBAYGCFVXGYFW-UHFFFAOYSA-M	00000010100100000000000010000000000000000000000000000000	25-01-031768
N#Cc1cccc(c1)C#Cc1cn2c(c1)C(=O)C(C2)C	PC-id_71118011,SCHEMBL14249544	260.29	XYBWJFFNHODTLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031769
S1C(C(c2nnsc12)C(=O)OC)C(=O)OC	PC-id_21586979	260.29	DKZARKVNAXFWSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031770
S1(=O)(=O)NC(=O)c2sc(cc12)C(=O)N(C)C	PC-id_16640055	260.29	ZAEYZXMCJALAAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031771
c1(c2CCCc2n[nH]1)C(=O)N(C)C(C)c1ccon1	EMOLS-id_82736487,MCULE-7661013906,PC-id_119072243	260.292	CSHNJMGGRSUQNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031772
c1(C(=O)NCc2c(C)noc2C)c2CCCc2n[nH]1	EMOLS-id_82737413,PC-id_119072598,EMOLS-id_98486426,MCULE-7460535186,ZINC22_329096294	260.292	YCEOIZXISPYBBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031773
c1(C(=O)OC)n2CCCc2c(C#N)c1N=CN(C)C	MCULE-3417243485,EMOLS-id_301069339	260.292	IVAHJFPMBKHNOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031774
Cc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)o1	PC-id_53498586,EMOLS-id_35706500,MCULE-8949718926,ZINC22_48340691	260.292	PSCOEAIRBAUGBI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031775
Cc1ccc(o1)C(=O)NC(c1nnc2n1CCC2)C	MCULE-3692849054,EMOLS-id_31875212,PC-id_45804910	260.292	AFPQVKAQULPBQH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031776
Cc1ccc(o1)C(=O)N[C@H](c1nnc2n1CCC2)C	PC-id_94018272	260.292	AFPQVKAQULPBQH-VIFPVBQESA-N	00000010101000000001000010000000000000000000000000000000	25-01-031777
Cc1ccc(o1)C(=O)N[C@@H](c1nnc2n1CCC2)C	PC-id_94018273	260.292	AFPQVKAQULPBQH-SECBINFHSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031778
Cc1cc(C(=O)NCc2nnc3n2CCC3)c(C)o1	EMOLS-id_29997402,CoCoCo_4651274,ZINC22_40489870,PC-id_45806078,MCULE-4106243111	260.292	HYSSGVBJQRFPTE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031779
Cc1ccoc1C(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_35688632,MCULE-3088398792,ZINC22_65390730,PC-id_53499637	260.292	XZGCVIYDYOJNHW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031780
Cc1ccoc1C(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_93823431,ZINC22_41789356	260.292	AORRUSAJPZJCIS-VIFPVBQESA-N	00000010101000000001000010000000000000000000000000000000	25-01-031781
Cc1ccoc1C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_41789359,PC-id_93823432	260.292	AORRUSAJPZJCIS-SECBINFHSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031782
Cc1ncc(o1)CCNC(=O)c1nn2c(c1)CCC2	EMOLS-id_319043256	260.292	AJGCEEBTQWIDEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031783
Cc1nc(c(o1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319157558	260.292	MPGVGOAUKZNSGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031784
Cc1occc1C(=O)NCCc1nnc2n1CCC2	ZINC22_42502770,PC-id_71896191,EMOLS-id_45751098,MCULE-8844019115	260.292	HXEYSXTWGKCFBT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031785
CCc1ccc(C(=O)NCc2nnc3n2CCC3)o1	EMOLS-id_31904108,PC-id_45813597,ZINC22_40511115,CoCoCo_4836760,MCULE-5246217527	260.292	JGNWZPSUFQDKAN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031786
CCc1ncoc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319382962	260.292	NMPLXCOOGRCFLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031787
CCc1ncoc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319606772	260.292	PULIRAKFSDHAML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031788
CC(c1nnc2n1CCC2)NC(=O)c1occc1C	MCULE-8614079447,PC-id_53501618,EMOLS-id_35691652	260.292	AORRUSAJPZJCIS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031789
CCc1noc(C)c1NC(=O)c1cnn2c1CCC2	MCULE-2935498938,EMOLS-id_316960002,ZINC22_622463820	260.292	OXZOZTFTNBZLLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031790
CCc1occ(n1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_99410373	260.292	USQHQPRDGQXVOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031791
CCc1occ(n1)C(=O)NCc1cnc2n1CCC2	MCULE-6120094152,EMOLS-id_320295008	260.292	FEWNTXBRYMUVCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031792
CCc1onc(c1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_316486297	260.292	XYVLGLTUFSFICF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031793
CCc1onc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-3277625199,EMOLS-id_319916623	260.292	PIADPIOENSCUCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031794
CCc1onc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320224897,MCULE-7293858225	260.292	NMCCORWMGMDUKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031795
C[C@H](c1ccon1)N(C)C(=O)c1n[nH]c2c1CCC2	ZINC22_426652801	260.292	CSHNJMGGRSUQNA-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031796
C[C@@H](c1ccon1)N(C)C(=O)c1n[nH]c2c1CCC2	ZINC22_426652802	260.292	CSHNJMGGRSUQNA-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031797
CCN(C(=O)C1NCc2c1c[nH]n2)Cc1cocc1	EMOLS-id_319627974	260.292	ILFKZPIDBBGOMM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031798
CCOCc1n[nH]c2c1CN(C(=O)c1ccc[nH]1)C2	ZINC22_96086698,PC-id_97406017	260.292	GXZUWGOQOGCREM-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031799
CN(Cc1ccc(o1)C(=O)N1Cc2c(C1)cn[nH]2)C	MCULE-1502825839,EMOLS-id_320113229	260.292	DAZIMFBHCURCJP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031800
C=N/C=C(/n1nc(c2c1CC(C2)C)C(=O)O)N=C/C	PC-id_145089430	260.292	PLOKSDHPAQTIHI-YIXRNTEHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031801
CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccoc1)C2	PC-id_97389032,ZINC22_96066691,EMOLS-id_46160243	260.292	AUYZTLXSYSAOBF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031802
COc1nc(C)ccc1OCc1nnc2n1CCC2	EMOLS-id_319366657	260.292	XXFMDCJLYKHPRL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031803
COC(=O)c1c(/N=C/N(C)C)c(C#N)c2CCCn12	MCULE-2887129503,SPECS-id_AT-687/PE33057,SPECS-id_AT-687/NB03684,EMOLS-id_49185835,ZINC22_100025417,PC-id_75466266	260.292	IVAHJFPMBKHNOY-OVCLIPMQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031804
N#CC1(CCOCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110998470	260.292	IIVNHTKYTORDDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-031805
NCc1occ(c1)C(=O)Nc1n(C)nc2c1CCC2	MCULE-2501148857,EMOLS-id_302278346,PC-id_120455740	260.292	DURSSVZNKFBBDP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031806
o1c(c(C(=O)N(Cc2n3CCCc3nn2)C)cc1)C	PC-id_60361035	260.292	YLBGKAXPDPDAOO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031807
o1nc2CCCc2c1NC(=O)c1n(nc(c1)C)CC	PC-id_49696141	260.292	GGIPSBWNVMPXEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031808
o1nc2CCCc2c1NC(=O)c1nn(c(c1)C)CC	PC-id_49697714	260.292	ZVYSKWOHPFFOEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031809
Oc1cc(CC(N)c2n3CCCc3nn2)ccc1O	PC-id_61072079	260.292	MEYFMFRREJAUEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031810
O=C(c1c(C)noc1C)NCc1cnc2n1CCC2	EMOLS-id_319875599	260.292	FVTFPXCJZHEHAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031811
O=C(c1cnn2c1CCC2)NCc1oc(c(n1)C)C	EMOLS-id_319309833	260.292	IPELTCFRBYPCRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031812
O=C(c1n(C)nc2c1CCC2)NCc1cnoc1C	EMOLS-id_318841794	260.292	PFNNVIYDDIOGTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031813
O=C(c1[nH]c2c(c1)CCC2)NC(c1ncon1)(C)C	MCULE-2547502906,EMOLS-id_320165780	260.292	LXPOGDDVNBYJQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031814
O=C(c1occ2c1CCC2)NC(c1nnc[nH]1)(C)C	EMOLS-id_319739000	260.292	HDTHLKJMVJGVDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031815
O=C(Cc1cnc(o1)C)NCc1n[nH]c2c1CCC2	MCULE-8545785712,EMOLS-id_320261813	260.292	KAOFFHLFULQCIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031816
O=C(Cc1noc(c1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318890164	260.292	DFRPANPDVOLCAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031817
O=C(Cc1onc(c1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319185498	260.292	BSGRRXNCQMRLIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031818
O=C(CCc1nocc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319281524	260.292	WZASWNONBOGFIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031819
OCCN1Cc2[nH]nc(COc3ccccn3)c2C1	ZINC22_96260243,EMOLS-id_44372036,PC-id_97520320	260.292	PBQUTDMIUCMSDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031820
OCCN1Cc2[nH]nc(COc3cccnc3)c2C1	PC-id_97406028,ZINC22_96086711	260.292	LFHGMXRXHKGHAI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031821
O=C(NC1CCn2c1ncc2)NCc1ccc(o1)C	EMOLS-id_319826362,MCULE-3212826720	260.292	FPBUZBZWXDQKHC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031822
O=C(Nc1n(C)nc2c1CCC2)Cc1noc(c1)C	EMOLS-id_99188890	260.292	MLTQQJDGPZRZTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031823
O=C(N(Cc1noc(c1)C)C)c1n[nH]c2c1CCC2	PC-id_78879382	260.292	XOFSGHWWQHKIPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031824
C1CC(c2nnc(NCc3nnc4n3CCC4)o2)C1	EMOLS-id_46646300,PC-id_72929939,MCULE-5660358788,ZINC22_95388077	260.295	SBTCTNSOAAMKSV-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-031825
c1(CNC(=O)c2cn(C)nn2)c2CCCc2nn1C	MCULE-4578049170,PC-id_91819377,EMOLS-id_53884623,ZINC22_225817628	260.295	UOCDHOBBDPPAAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031826
c1(C(=O)Nc2n[nH]c(C(C)C)n2)c2CCCc2n[nH]1	EMOLS-id_49402106,STOCK7S-38087,PC-id_71701376,MCULE-3768393700,ZINC22_95472903,EMOLS-id_44756256	260.295	TWDLNBCQDVVGBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031827
c1(C(=O)NCc2c3CCCc3[nH]n2)[nH]c(nc1C)N	PC-id_138806985,EMOLS-id_317875932,ZINC22_1775977092,MCULE-4173093484	260.295	GUGDLSPYDANFKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031828
c1(C(=O)NCCCn2ccnn2)c2CCCc2n[nH]1	ZINC22_344494147,PC-id_119072312,EMOLS-id_82736663,MCULE-8503051081	260.295	YSZFLYQVTDIBLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031829
c1nc2n(n1)[C@@H](Cn1cc([C@@H]3CCOC3)nn1)CC2	ZINC22_1331885489	260.295	ZZAHRMQIAYYXTP-NXEZZACHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-031830
c1nc2n(n1)[C@H](Cn1cc([C@H]3CCOC3)nn1)CC2	ZINC22_1331885492	260.295	ZZAHRMQIAYYXTP-UWVGGRQHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-031831
c1nc2n(n1)[C@@H](Cn1cc([C@H]3CCOC3)nn1)CC2	ZINC22_1331885493	260.295	ZZAHRMQIAYYXTP-VHSXEESVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-031832
c1nc2n(n1)[C@H](Cn1cc([C@@H]3CCOC3)nn1)CC2	ZINC22_1331885494	260.295	ZZAHRMQIAYYXTP-ZJUUUORDSA-N	00000010100000000001100010000000000000000000000000000000	25-01-031833
Cc1nc(C(=O)NCc2cnc3n2CCC3)n(C)n1	MCULE-9421072973,PC-id_146104062,ZINC22_1875282914,EMOLS-id_324021101	260.295	YAIMDYPAIOYDCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031834
CCc1cc(nn1C)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318998687	260.295	KHFXYKHRZYMXQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031835
CCc1nc[nH]c1C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316689341	260.295	HZITYHROZDOKIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031836
CCc1n[nH]c(c1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319751932	260.295	ACGCBDPKTXHISN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031837
CC(Cn1cccn1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320078796,MCULE-5774357007	260.295	BCXUJJGXYYKABR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031838
CCCn1ncc(c1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319357241	260.295	BZZWZFHCPUSGDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031839
CCn1nc(cc1NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319709262	260.295	ZVGGLVXYRGFUSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031840
CCn1ncc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319233020	260.295	WTWSHSKJHGMLQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031841
CCn1ncc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318871721	260.295	BZYXUSNBTUIMHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031842
CCn1nncc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320177199,MCULE-7856256108	260.295	SUJHWEIDDNIFPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031843
CCn1nncc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320136207,MCULE-2152476546	260.295	LQBZGEWBDPGGTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031844
CCN(C(=O)C1NCc2c1c[nH]n2)c1cnn(c1)C	MCULE-4054216034,EMOLS-id_320201497	260.295	CXMMOEIUJRVBBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031845
O(c1nc(NCCc2n3CCCc3nn2)ncc1)C	PC-id_78857931	260.295	PMMDCSTWMASDGH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031846
O=C(c1cn2c(n1)CCC2)NC(c1c[nH]nn1)(C)C	EMOLS-id_258008435,MCULE-4644495275	260.295	BKEUJIMKOHJKLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031847
O=C(c1cn2c(n1)CCC2)NC(c1nnc[nH]1)(C)C	MCULE-6195121769,EMOLS-id_320007529	260.295	LMTIBBRUSMDYNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031848
O=C(c1cnc2n1CCC2)NC(c1nnc[nH]1)(C)C	EMOLS-id_319085465	260.295	SSXVVLMWWSBLEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031849
O=C(c1cnc(n1C)C)NC1CC(n2c1ncn2)C	EMOLS-id_316601993	260.295	CKYXFLZELGBGCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031850
O=C(C1NCc2c1c[nH]n2)Nc1[nH]nc(c1)C(C)C	EMOLS-id_318958414	260.295	GUPAFZYRSCCSFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031851
O=C(C1NCc2c1c[nH]n2)NCCCn1cccn1	EMOLS-id_318776535	260.295	VFVJFAHWBIPLCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031852
O=C(C1NCc2c1c[nH]n2)N(CCn1cccn1)C	EMOLS-id_319742406	260.295	VDUOBKOXTYCXLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031853
O=C(c1nn2c(c1)CCC2)NC(c1nnc[nH]1)(C)C	EMOLS-id_319926589,MCULE-2270784799	260.295	DDNUJZUOZFOQPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031854
O=C(c1nn(c(n1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_319300168	260.295	SDKPAKHUSDFWQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031855
O=C(c1nn(c(n1)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_319978969,MCULE-9659626074	260.295	WRODZWCYQOTPPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031856
O=C(c1n[nH]c2c1CCC2)NC(c1c[nH]nn1)(C)C	MCULE-9038145486,EMOLS-id_258008729	260.295	GIAIKQRLGMMLBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031857
O=C(c1n[nH]c2c1CCC2)NC(c1nnc[nH]1)(C)C	EMOLS-id_320316988,MCULE-5002821514	260.295	YTRUXLIJIUYVBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031858
O=C(c1nnn(c1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318807761	260.295	DOONWEHLJAWRBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031859
O=C(Cc1[nH]nc(n1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319008512	260.295	JNHNHGVHBPKIKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031860
O=C(CCc1c[nH]nn1)NCc1n[nH]c2c1CCC2	EMOLS-id_318837148	260.295	AWBJNEZYBXANCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031861
O=C(CCn1cncn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319921551,MCULE-7875683177	260.295	YEMMJKHAGHSTSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031862
O=C(CCn1nncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320182925,MCULE-7592495711	260.295	MWKHSZDHADAVPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031863
O=C(C(n1cncn1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319903136,MCULE-6997623373	260.295	WBYPXJQAFGHLOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031864
O=C(N1CCn2c1ncc2)Nc1ccn(n1)C(C)C	EMOLS-id_316641375	260.295	LFPAAUYTBKVGQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031865
O=C(Nc1n(C)nc2c1CCC2)CCc1nnc[nH]1	EMOLS-id_100712571	260.295	VOPYIKGPIHBCKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031866
O=C(N(Cc1n2CCCc2nn1)C)c1c([nH]nc1)C	PC-id_61693368	260.295	UGYQKAMQEPHXAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031867
O=C(NC(c1n2CCCc2nn1)C)c1c([nH]nc1)C	PC-id_62038414	260.295	UHQZKPVIHDJYIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031868
O=C(N(Cc1n2CCCc2nn1)C)c1[nH]cc(N)c1	PC-id_61110681	260.295	AZNWYGUJZVPVQE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-031869
O=C(NCc1n(CC)cnn1)c1n[nH]c2CCCc12	PC-id_78879200	260.295	SFFDEJSBPZALGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031870
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(=O)c1ccc2C(CCn12)C(=O)O	PC-id_45359002,EMOLS-id_902006	260.299	OZWKMVRBQXNZKK-RALIUCGRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031871
CCCc1nc2c(n1CCCC(F)(F)F)CCC2	PC-id_144858597	260.299	NYKRAWHBCMKNKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-031872
OC(=O)C1CCn2c1c(cc2)C(=O)c1c(c(c(c(c1[2H])[2H])[2H])[2H])[2H]	PC-id_71749699	260.299	RIQZRCMKWYHMOR-RALIUCGRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031873
NCC(CNC(=O)c1sc2c(c1)CCC2)(F)F	PC-id_113577672,EMOLS-id_302263367,MCULE-9504755380	260.303	SLOSQQDLMJIXCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031874
c12C(C)CCc1nn(Cc1c(cccc1F)OC)c2	EMOLS-id_330998952,MCULE-1062600945	260.307	AVCLGZHUJLAOCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031875
c12C(C)CCc1nn(Cc1ccc(cc1F)OC)c2	MCULE-5717491061,EMOLS-id_331001510	260.307	GHRXICRROWBHDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031876
c12C(C)CCc1nn(Cc1ccc(cc1OC)F)c2	EMOLS-id_330999208,MCULE-8674145470	260.307	FAUQBEYPWUOBLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031877
c12C(C)CCc1nn(Cc1ccc(c(F)c1)OC)c2	EMOLS-id_331001254,MCULE-9286810072	260.307	GZFWFGJGZNBVTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031878
c12C(C)CCc1nn(Cc1cccc(F)c1OC)c2	MCULE-2669383300,EMOLS-id_330999464	260.307	LVPVSCMRGTZVCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031879
c12C(C)CCc1nn(Cc1cccc(OC)c1F)c2	EMOLS-id_330999718,MCULE-5226804935	260.307	UJWSOHGAVVBMSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031880
c12C(C)CCc1nn(Cc1ccc(c(OC)c1)F)c2	EMOLS-id_330999974,MCULE-3545992935	260.307	RPJCBXLTMZCJCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031881
c12C(C)CCc1nn(Cc1cc(F)ccc1OC)c2	MCULE-3137717156,EMOLS-id_330998696	260.307	XNTYXIQEXLZTRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031882
c12C(C)CCc1nn(Cc1cc(OC)ccc1F)c2	MCULE-7321117435,EMOLS-id_330999462	260.307	KMJICXJKOSVOSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031883
c12C(C)CCc1nn(Cc1cc(OC)cc(F)c1)c2	EMOLS-id_331000230,MCULE-2561678628	260.307	ZWFDORURRVTLNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031884
CC1CCc2c1c(CO)nn2Cc1ccccc1F	MCULE-4188539361,EMOLS-id_331006198	260.307	UARKZLJRCXJBFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031885
CC1CCc2c1c(CO)nn2Cc1cccc(F)c1	MCULE-8576424433,EMOLS-id_331008758	260.307	YWFHMBRCGNOEQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031886
CC1CCc2c1c(CO)nn2Cc1ccc(F)cc1	MCULE-3725459932,EMOLS-id_331007733	260.307	VRAXXZCSRKFBIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031887
CC1CCc2c1c(O)nn2Cc1ccc(C)cc1F	EMOLS-id_331019501,MCULE-7788924611	260.307	ADXFFNBVQJZWHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031888
CC1CCc2c1c(O)nn2Cc1cc(C)ccc1F	MCULE-4220141949,EMOLS-id_331021805	260.307	VUZVXDIRLSGNPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031889
CC1CCc2c1c(O)nn2Cc1cccc(C)c1F	MCULE-5562711343,EMOLS-id_331022061	260.307	RIWOXKCYSGGELF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031890
CC1CCc2c1c(O)nn2Cc1ccc(C)c(F)c1	MCULE-8018548056,EMOLS-id_331019245	260.307	KBQHKFCAUFJEKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031891
CC1CCc2c1c(O)nn2Cc1cccc(F)c1C	EMOLS-id_331020270,MCULE-2771349014	260.307	OULDVYANOMVDCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031892
CC1CCc2c1c(O)nn2Cc1ccc(F)cc1C	MCULE-1685670148,EMOLS-id_331020013	260.307	XXFSBSVGCCNKFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031893
CC1CCc2c1c(O)nn2Cc1ccc(F)c(C)c1	EMOLS-id_331019757,MCULE-8054976257	260.307	FJJDIHPJZOFWQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031894
CC1CCc2c1c(O)nn2Cc1cc(F)ccc1C	EMOLS-id_331020526,MCULE-4685751352	260.307	RFAHLXWILWXTLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031895
CC1CCc2nn(Cc3ccccc3F)c(CO)c12	MCULE-4398463421,EMOLS-id_330993072	260.307	KUAIWBJFGOAHTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031896
CC1CCc2nn(Cc3cc(C)ccc3F)c(O)c12	EMOLS-id_331002539,MCULE-4328942957	260.307	WKTFTEGBFGPSLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031897
CC1CCc2nn(Cc3ccc(C)cc3F)c(O)c12	EMOLS-id_331004330,MCULE-7861569841	260.307	DFCLYHVAZGBRAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031898
CC1CCc2nn(Cc3cccc(C)c3F)c(O)c12	MCULE-7710415083,EMOLS-id_331002795	260.307	KGOOBFNOKOWBCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031899
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(O)c12	MCULE-2215695409,EMOLS-id_331004074	260.307	LPUXCGRQPCWKMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031900
CC1CCc2nn(Cc3cccc(F)c3)c(CO)c12	EMOLS-id_330991537,MCULE-6176437955	260.307	HGGLIUIZLFWQNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031901
CC1CCc2nn(Cc3cccc(F)c3C)c(O)c12	EMOLS-id_331005099,MCULE-4415670432	260.307	YYAUISWYMFXVTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031902
CC1CCc2nn(Cc3ccc(F)cc3)c(CO)c12	MCULE-7797350506,EMOLS-id_330990512	260.307	KAFVSDJASOGKRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031903
CC1CCc2nn(Cc3ccc(F)cc3C)c(O)c12	MCULE-9606492451,EMOLS-id_331004842	260.307	JAUWJJZSVKZLKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031904
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(O)c12	EMOLS-id_331004586,MCULE-1687025144	260.307	JRNNNQULTHAXSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031905
CC1CCc2nn(Cc3cc(F)ccc3C)c(O)c12	EMOLS-id_331005355,MCULE-3237143448	260.307	PIIJQTJQEHPZEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031906
CC(c1ccccc1F)n1nc2CCC(C)c2c1O	MCULE-4188782313,EMOLS-id_331009703	260.307	GULWEECJQMCPFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031907
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1O	MCULE-4610640998,EMOLS-id_331008933	260.307	FMGIAWNMBIUBRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031908
COc1cccc(Cn2ncc3C(C)CCc23)c1F	MCULE-2020587431,EMOLS-id_331017960	260.307	CPXYVOSBVPXZKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031909
COc1cccc(F)c1Cn1ncc2C(C)CCc12	MCULE-4032482775,EMOLS-id_331017194	260.307	VARWHYPDPJVVKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031910
COc1ccc(Cn2ncc3C(C)CCc23)cc1F	MCULE-6631874401,EMOLS-id_331015401	260.307	UCGJRUHXLRKMCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031911
COc1ccc(Cn2ncc3C(C)CCc23)c(F)c1	MCULE-8065862075,EMOLS-id_331015657	260.307	NNSONSZBFLZJPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031912
COc1ccc(F)cc1Cn1ncc2C(C)CCc12	EMOLS-id_331016938,MCULE-4103090598	260.307	XOQHNBWHXOPZBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031913
COc1ccc(F)c(Cn2ncc3C(C)CCc23)c1	MCULE-4961166598,EMOLS-id_331017704	260.307	SNESMEWWKGRLAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031914
COc1cc(Cn2ncc3C(C)CCc23)ccc1F	MCULE-7569737589,EMOLS-id_331018216	260.307	VSQCDAOFRMZQHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031915
COc1cc(F)ccc1Cn1ncc2C(C)CCc12	EMOLS-id_331017450,MCULE-5808824006	260.307	IKEISYUSBBCMHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031916
COc1cc(F)cc(Cn2ncc3C(C)CCc23)c1	MCULE-6713335369,EMOLS-id_331014377	260.307	RFONGVFQSMOIRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031917
COc1c(F)cccc1Cn1ncc2C(C)CCc12	EMOLS-id_331017706,MCULE-1856492326	260.307	YILICOOHMDHDBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031918
FCCc1ccc(cc1)OCc1nn2c(c1)CCC2	MCULE-8945416323,EMOLS-id_320106219	260.307	NEQZVEUFKLSEDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031919
OC(=O)c1sc2c(c1Oc1ccccc1)CCC2	PC-id_117272886	260.308	QBUTXLXLCNQLOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031920
Fc1ccc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_43433230	260.31	AAFOPNBKJVEUJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031921
Fc1cc(CNC(c2n3CCCc3nn2)C)ccc1	PC-id_43433220	260.31	MQRUSTXNOJHDHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031922
Fc1c(CNC(c2n3CCCc3nn2)C)cccc1	PC-id_43433221	260.31	AIYAAOODCGXYPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031923
c1(Nc2ccc(cc2)C(=O)O)sc2c(CCC2)n1	EMOLS-id_314167963,PC-id_956383,MCULE-3222987818	260.312	MNDQBSUSLRAECS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031924
C[C@H](n1c2C(=O)SCc2[nH]c1=O)c1ccccc1	SCHEMBL9702652,PC-id_18633475	260.312	ZOPAGEIBRPJQHB-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031925
COc1nccnc1C(=O)c1sc2c(c1)CCC2	PC-id_113660980	260.312	QNELXCOZVJJMRU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031926
N#CC(=C)C(=O)Nc1sc2c(c1C(=O)C)CCC2	PC-id_143287635	260.312	BOLOQWIMXPUMLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031927
Oc1ccc(cc1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314511022,PC-id_60715996	260.312	JBOVBMHFEVBNNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031928
Oc1cccc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315091608,PC-id_60721450	260.312	FDWRXMJTTXDCHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031929
O=C1SCc2c1[nH]c(=O)n2[C@H](c1ccccc1)C	SCHEMBL9702404,PC-id_14461224	260.312	HVKDROUMRKSWEF-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031930
O=C(c1ccccc1O)Nc1sc2c(n1)CCC2	PC-id_60716010,EMOLS-id_314909703	260.312	VFXYCXLEAIJHSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031931
O=C(/C=C/c1ccco1)Nc1nc2c(s1)CCC2	PC-id_16583558,ZINC22_9483192,EMOLS-id_48917139,CoCoCo_4164010	260.312	IKCJKBQYXFAYSQ-VOTSOKGWSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031932
O=C(C=Cc1occc1)Nc1sc2c(CCC2)n1	MCULE-6885301233,EMOLS-id_43971836,PC-id_72031457	260.312	IKCJKBQYXFAYSQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031933
O=C(Nc1ccc[nH]c1=O)c1cc2c(s1)CCC2	ZINC22_65474820,EMOLS-id_35759651,MCULE-5809395280,PC-id_53539395	260.312	KJYDWKZSAQEMPB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-031934
OC(=Nc1onc2c1CCC2)/C=C/c1cccs1	CoCoCo_5123838,Chemmine_45366,EMOLS-id_45805155,PC-id_16942313	260.312	WHCWZPOGYKXROR-VOTSOKGWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-031935
O=C(Nc1onc2c1CCC2)/C=Cc1cccs1	CoCoCo_5123839	260.312	WHCWZPOGYKXROR-SREVYHEPSA-N	00000010100100000001000010000000000000000000000000000000	25-01-031936
O=C(Nc1onc2c1CCC2)C=Cc1cccs1	PC-id_71962109,MCULE-9529623173	260.312	WHCWZPOGYKXROR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-031937
O=C(Nc1sc2c(n1)CCC2)/C=Cc1ccco1	CoCoCo_4164011	260.312	IKCJKBQYXFAYSQ-SREVYHEPSA-N	00000010101000000001000010000000000000000000000000000000	25-01-031938
O=C(Nc1sc2c(n1)CCC2)Oc1ccccc1	SCHEMBL1943503,PC-id_57656878	260.312	LOXFPMOZNIYCFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031939
OC(=O)C1CCc2c1nc(s2)Cc1ccccn1	PC-id_113395633	260.312	YYNPOGQWZCINQV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031940
OC(=O)C1CCc2c1nc(s2)Cc1cccnc1	PC-id_104287357	260.312	HNLIBIHELXSSFS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031941
OC(=O)C1CCc2c1nc(s2)Cc1ccncc1	PC-id_104287358	260.312	KKWOQMDXWSZBBG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031942
OC(=O)C1CCc2c1nc(s2)Nc1ccccc1	PC-id_113395644	260.312	KLJNMYQHFKZHKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031943
s1c2CCCc2cc1C(=O)NN=Cc1occc1	PC-id_85015457	260.312	NLRZKPXDVAEZDR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-031944
s1c2CCCc2nc1Nc1c(cccc1)C(=O)O	PC-id_62231859	260.312	XLWZRMDZOPALKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031945
S1Cc2c(noc2NC(=O)c2c(cccc2)C)C1	PC-id_49719028	260.312	RSRZDOUPPYPNDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031946
S1Cc2c(noc2NC(=O)c2cc(ccc2)C)C1	PC-id_49719029	260.312	XQMPECHYLGBQLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031947
S1Cc2c(noc2NC(=O)c2ccc(cc2)C)C1	PC-id_49719030	260.312	YXZKNHFIGCLNRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031948
S1Cc2c(noc2NC(=O)Cc2ccccc2)C1	PC-id_49719074	260.312	AOHPTUZWQWMVAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031949
S1Cc2n(C(c3ccccc3)C)c(=O)[nH]c2C1=O	PC-id_14461223	260.312	HVKDROUMRKSWEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031950
S1Cc2[nH]c(=O)n(C(c3ccccc3)C)c2C1=O	PC-id_19812376	260.312	ZOPAGEIBRPJQHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031951
c1(C(=O)NN=Cc2cccs2)c2CCCc2[nH]n1	MCULE-3273592496,BindingDB-id_238877,EMOLS-id_299993731,PC-id_5400005	260.315	RHTNOJVNXRSZGT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-031952
c1(NC(=O)c2ccccn2)n(C)nc2CSCc12	EMOLS-id_188946057,MCULE-4033648892,ZINC22_604419748,STOCK7S-68225	260.315	ZMDWDBAAOPRVAC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031953
c1(NC(=O)c2cccnc2)n(C)nc2CSCc12	PC-id_52903107,STOCK7S-16900,MCULE-8450097830,EMOLS-id_35791244,ZINC22_61722121	260.315	XKBQNUXYEJXUCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031954
c1(NC(=O)c2ccncc2)n(C)nc2CSCc12	PC-id_52902956,ZINC22_61722002,STOCK7S-16750,EMOLS-id_35791021,MCULE-5653566233	260.315	KONQRLGJSKMYHM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031955
c1(NC(=O)Nc2ccccc2)sc2c(CNC2)n1	MCULE-9957033166,PC-id_82194100	260.315	IJBBGTZWQKCHDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031956
c1(nnc2SCCn12)NC(=O)c1ccc(cc1)C	CoCoCo_2590474,ChEMBL-DNDi_CHEMBLF2079-0034,PC-id_22582940,MCULE-8109788123,EMOLS-id_16349365,ZINC22_17041068	260.315	ZYOFRQIBSRHIMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031957
c1(nnc2SCCn12)NC(=O)c1ccccc1C	PC-id_16031341,CoCoCo_2590472,ChEMBL-DNDi_CHEMBLF2079-0032,CHEMBL1551637,MCULE-1868682910,EMOLS-id_16349361	260.315	YKGVVBWQYIEKPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031958
c1(nnc2SCCn12)NC(=O)c1cccc(C)c1	PC-id_22582939,CoCoCo_2590473,ZINC22_17122752,EMOLS-id_16349363,MCULE-2991672137,ChEMBL-DNDi_CHEMBLF2079-0033	260.315	XEDUWFGYWXQVSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031959
Cc1cnc(cn1)C(=O)Nc1nc2CCCc2s1	CoCoCo_4164042,MCULE-6096307142,EMOLS-id_30649505,ZINC22_14163252,PC-id_17456742	260.315	NVVNUYRWLANCKH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031960
CC(C)c1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324845807	260.315	UZTNCZRVZKQVOQ-TWGQIWQCSA-N	00000000110000000001000010000000000000000000000000000000	25-01-031961
CCCc1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324847845	260.315	YTMXWMYKMVFACW-CLFYSBASSA-N	00000000110000000001000010000000000000000000000000000000	25-01-031962
CN(c1cnccc1)C(=O)c1cnc2n1CCS2	SCHEMBL19764096,PC-id_134164339	260.315	AZBQMPJUKAOOQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031963
n12c(=O)c(=Cc3ccc[nH]3)sc1nc(C(C)C)n2	MCULE-1941902989	260.315	UZTNCZRVZKQVOQ-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-031964
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCC	MCULE-8368821500	260.315	YTMXWMYKMVFACW-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-031965
Nc1ccc(cn1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314524347,PC-id_62061316	260.315	OMKPBAMCFGEKPA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031966
Nc1cccc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_62240872,EMOLS-id_314120640	260.315	GSASKEAKIUJFOC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031967
Nc1ccc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_81316174,EMOLS-id_314807639	260.315	VZPKXCVEBHOIFR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031968
Nc1ccnc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315221985,PC-id_55041863	260.315	NZRXEOLBFUOZMH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031969
Nc1nccc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314173866,PC-id_62186324	260.315	KPCMAYZHINGNTL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031970
O=C(c1cccnc1N)Nc1sc2c(n1)CCC2	PC-id_62058883,EMOLS-id_314178198	260.315	MHCGREXCGVNGII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031971
O=C(c1ccncc1N)Nc1sc2c(n1)CCC2	PC-id_113676843	260.315	LGXXTZSNHFLYMF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031972
O=C(c1cnccc1N)Nc1sc2c(n1)CCC2	PC-id_81240103,EMOLS-id_314748115	260.315	UNFRMIBEBZZWFK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031973
O=C(c1ncccc1N)Nc1sc2c(n1)CCC2	PC-id_104742092	260.315	NEGSNQARUKEAHK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-031974
O=C(c1nccnc1N)NC1Cc2c(C1)ccs2	SCHEMBL2456743,PC-id_21050766	260.315	GBLIIQHHNVVTCS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031975
O=C(c1n[nH]c2c1CCC2)N/N=C/c1cccs1	CoCoCo_626626,CoCoCo_626624,EMOLS-id_624073,PC-id_5720643,ChEMBL-DNDi_CHEMBL1988883,STOCK3S-42664,BindingDB_PC-id_5720643	260.315	RHTNOJVNXRSZGT-NTUHNPAUSA-N	00000010100100000001000010000000000000000000000000000000	25-01-031976
O=C(c1sc2c(c1)CCC2)NNc1ncccn1	MCULE-6224055756,EMOLS-id_44526518,PC-id_71897652	260.315	XJHSAPXJKNMEQU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-031977
O=C(Nc1ccccc1)CC1Sc2c(N1)[nH]cn2	PC-id_68121464,SCHEMBL11738629	260.315	OMCLYFCFQPHSLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031978
O=C(Nc1nnc2n1CCS2)Cc1ccccc1	CHEMBL1446237,CoCoCo_2590524,PC-id_16031408	260.315	PKFQWDUNJWFBMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031979
O=C(N/N=Cc1cccs1)c1n[nH]c2CCCc12	CoCoCo_626623,CoCoCo_626625,EMOLS-id_2062702,TIMTEC424970	260.315	RHTNOJVNXRSZGT-QPEQYQDCSA-N	00000010100100000001000010000000000000000000000000000000	25-01-031980
s1c2CN(Cc2nc1N)C(=O)Nc1ccccc1	PC-id_82194211	260.315	PBKZTXWTCBAWQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-031981
Cc1ccc(c(c1)C(=O)c1sc2c(c1)CCC2)F	PC-id_114970872	260.327	HKFRANPNHRNTSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031982
Cc1cc(F)cc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_115787633	260.327	RKURJWJWOAKLAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031983
Fc1ccc(cc1)CC(=O)c1sc2c(c1)CCC2	EMOLS-id_314093230,PC-id_61078236	260.327	WCDBLPHTNIEBDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031984
Fc1ccc(c(c1)C)C(=O)c1sc2c(c1)CCC2	PC-id_113657087	260.327	WIVUHMUGJXEZNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031985
Fc1cccc(c1)CC(=O)c1sc2c(c1)CCC2	PC-id_61079911,EMOLS-id_314090415	260.327	PEPDOQOMKFBVSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031986
Fc1ccc(c(c1)C(=O)c1sc2c(c1)CCC2)C	PC-id_114970639	260.327	LMBRUZMAGNVVOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031987
O=C(c1ccc(c(c1)C)F)c1sc2c(c1)CCC2	EMOLS-id_314671932,PC-id_79736776	260.327	HOYBMLDPYRNZLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031988
O=C(c1ccc(c(c1)F)C)c1sc2c(c1)CCC2	PC-id_113920943	260.327	OTXXFUHBOASWLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031989
O=C(c1sc2c(c1)CCC2)Cc1ccccc1F	EMOLS-id_314090671,PC-id_61078615	260.327	XYWZXPSHZINSIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-031990
CCCC1(Cc2c(S1(=O)=O)scc2)C(=O)O	PC-id_19759871,SCHEMBL9458916	260.33	UTPSOKYIDBVPFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031991
S1(=O)(=O)Cc2c(sc(c2CC)C(=O)OC)C1	PC-id_11097313	260.33	FNLSBADNEDJDGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031992
S1(=O)(=O)C(C(C)C)c2c(C1)csc2C(=O)O	PC-id_84019104	260.33	WTNRRUCVZUWKAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031993
O=C1C(Cn2c1ccc2)CC(=O)NC1CCCCC1	TIMTEC52124,PC-id_24075060	260.332	MYPFKJOJKMVSSX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-031994
OC[C@]12C[C@H]1CCCN2C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320303199,MCULE-4582117229	260.332	RCTIIEDECLMHGL-IAQYHMDHSA-N	00100010100010000000010010000000000000000000000000000000	25-01-031995
O=C(c1[nH]c2c(c1)CCC2)N[C@@H]1C[C@H]2[C@@H]1CCCO2	MCULE-8571681700,EMOLS-id_320112805	260.332	AEKISCJIHUHPSX-QKCSRTOESA-N	00001010100010000000001010000000000000000000000000000000	25-01-031996
C=C/C=C(/n1c(nc2c1C=C=C2)/C(=C/C=C)/C=C)C=C	PC-id_144409269	260.333	NUEWYQMWCXDYRB-WFYKWJGLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-031997
s1c2c(CCC2)c(c1NS(=O)(=O)C)C(=O)N	PC-id_8831398	260.333	DNYSOHGJPNDFKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-031998
CC1=CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421750	260.335	YTRQIEBUAFCNFV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-031999
CC1=CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101577048	260.335	XPRABIHXHXKFOZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032000
CCCN(C(=O)C1C=Nc2n1ccn2)CC1CCC1	PC-id_140446870	260.335	QAXKRBKNCDWIPC-UHFFFAOYSA-N	00001011100000000001000010000000000000000000000000000000	25-01-032001
CN1CC2CC1(CNC(=O)c1n[nH]c3c1CCC3)C2	EMOLS-id_319015645	260.335	JFQKDWVTPKBYSC-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-032002
CN(Cc1nnc2n1CCC2)C(=O)C[C@H]1C=CCC1	PC-id_94555608,ZINC22_54539205	260.335	YWRFCZTZLIMIKX-NSHDSACASA-N	00000011100000000001000010000000000000000000000000000000	25-01-032003
CN(Cc1nnc2n1CCC2)C(=O)C[C@@H]1C=CCC1	ZINC22_54539207,PC-id_94555609	260.335	YWRFCZTZLIMIKX-LLVKDONJSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032004
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CC=CCC1	PC-id_95124272,ZINC22_65390733	260.335	VPZAWEHAGDHLDS-LLVKDONJSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032005
CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CC=CCC1	ZINC22_65390732,PC-id_95124271	260.335	VPZAWEHAGDHLDS-NSHDSACASA-N	00000010100011000001000010000000000000000000000000000000	25-01-032006
o1c(CC(NC(c2n3CCCc3nn2)C)C)ccc1	PC-id_63086523	260.335	LUGNLPMRKDJQJV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032007
o1c(CNC(c2n3CCCc3nn2)C)ccc1CC	PC-id_62344740	260.335	FPANCMPWAOCQNE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032008
o1c(C(NC(c2n3CCCc3nn2)C)C)ccc1C	PC-id_43748161	260.335	XYXXIZLUIKCSHL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032009
o1c(C(NC(c2n3CCCc3nn2)C)CC)ccc1	PC-id_62633622	260.335	MXPZGJITBUZFQP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032010
O=C(c1cn2c(n1)CCC2)NC1(CC1)C1CNCC1	EMOLS-id_319322318	260.335	FHDIFMIDBQURRJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-032011
O=C(c1cnn2c1CCC2)NC1(CC1)C1CNCC1	EMOLS-id_320198198,MCULE-6586628519	260.335	VCIOEXLGTWIGKA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-032012
O=C(C1NCc2c1c[nH]n2)NCCC1CCC=CC1	MCULE-8205219147,EMOLS-id_319829236	260.335	WCNDMBJRAYMNDY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032013
O=C(c1n[nH]c2c1CCC2)N1CC(C1)N1CCCC1	EMOLS-id_319349399	260.335	MXYCPNXEFWZLIK-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-032014
O=C(c1n[nH]c2c1CCC2)NC1CCN(C1)C1CC1	EMOLS-id_98491391	260.335	UWQWBFRHNXIRIO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-032015
O=C([C@H]1C[C@@H]1C1CC1)NC(c1nnc2n1CCC2)C	EMOLS-id_100795243	260.335	AYIDVHLWMKGCJZ-JROPRLTOSA-N	00100010100000000001100010000000000000000000000000000000	25-01-032016
O=C(NC1CC(n2c1ncc2)C)NC1CC2C(C1)C2	EMOLS-id_102198760	260.335	ZGIILZQBAYQCCS-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-032017
O=C(NC1CC(n2c1ncc2)C)NC1CCC=CC1	EMOLS-id_101640568	260.335	IOYQMQLUWLLSIL-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032018
O=C(N)C1=C(n2c(c(cc2C1=NC)CC)CCC)N	PC-id_16680982	260.335	JEHXLFBTYOZLFZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032019
O=C(N(Cc1n2CCCc2nn1)C)C1CC2C(C2)C1	PC-id_80471550	260.335	KFAPCALOKXAEMH-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-032020
O=C(NC(c1n2CCCc2nn1)C)C1CC2C(C2)C1	PC-id_80471634	260.335	LJAUBAPFQKRMAS-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-032021
O=C(N(Cc1n2CCCc2nn1)C)C1CCC=CC1	EMOLS-id_35706510,PC-id_53499639,MCULE-5604352938	260.335	VPZAWEHAGDHLDS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032022
O=C(N(Cc1n2CCCc2nn1)C)CC1CCC=C1	EMOLS-id_35688630,MCULE-3073190113,PC-id_53500411	260.335	YWRFCZTZLIMIKX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032023
c1(CN(C)Cc2c3CCCc3[nH]n2)n(CC)ncn1	PC-id_77083975,ZINC22_215387902,EMOLS-id_49875914,MCULE-7254655910	260.338	BVTGTRUBUWAOMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032024
CC1CC(c2n1ncn2)NCCCCn1cncc1	EMOLS-id_318988613	260.338	ISIKSJLCEJLRAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032025
CC(c1nnc2n1CCC2)NC(c1ccnn1C)C	PC-id_106757504	260.338	HAZDKQGABQEYSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032026
CC(Cn1ncc(c1)NC1CC(n2c1ncn2)C)C	EMOLS-id_319904073,MCULE-5712021504	260.338	VODQMADHEVBTCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032027
CC(n1ccc(n1)CNC1CC(n2c1ncn2)C)C	EMOLS-id_316578785	260.338	NVQMUHCXHUZCDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032028
CCn1nccc1CNC(c1nnc2n1CCC2)C	PC-id_115761684	260.338	OZMBESFNRXQJHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032029
CN=C(NC1CC=CC1)NCc1nnc2n1CCC2	PC-id_109772780	260.338	QOTZAIDAQGPODJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032030
n12CCCc1nnc2C(NCc1c([nH]nc1C)C)C	PC-id_43748182	260.338	LNHWUKZQZWFYDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032031
n12CCCc1nnc2C(NC(c1cn(nc1)C)C)C	PC-id_61792262	260.338	MHDJHRUVIRVVBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032032
n12CCCc1nnc2C(NCc1c(n(nc1)C)C)C	PC-id_79578986	260.338	ZFQUWAWCPLNVOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032033
n12CCCc1nnc2C(NCc1c(nn(c1)C)C)C	PC-id_81867874	260.338	KDYLCJOIGJPGLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032034
n12CCCc1nnc2C(NCc1n(CC)ccn1)C	PC-id_55065065	260.338	ZZROWMJXNYFVBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032035
n12CCCc1nnc2C(NCc1n(CC)cnc1)C	PC-id_66133817	260.338	XJXLOHWDETVRIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032036
n12CCCc1nnc2C(NC(c1n(ccn1)C)C)C	PC-id_64179739	260.338	MQEQEYLYPYXWNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032037
COc1cccc(c1)C(c1sc2c(c1)CCC2)O	PC-id_114976715	260.351	VLAWIEPGQILUSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032038
COc1ccccc1C(c1sc2c(c1)CCC2)O	PC-id_114978678	260.351	OCXKPOVDDWWMMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032039
COc1ccc(cc1)CSC1Cc2c(C1)coc2	PC-id_142650724	260.351	DKBUGMOHNLAEGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032040
s1c2c(CCC2)cc1C(O)c1ccc(OC)cc1	PC-id_61099874	260.351	XFUMQCIPRSYCNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032041
C1Cc2c(n(c(=S)n2C1)CCc1ccccc1)O	PC-id_90716353	260.355	VEPUYZAFCIUMFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032042
C1(CCC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_328194233,MCULE-6777945949	260.355	QSBGBLOXOAXONX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-032043
c1(C(N)c2cccc(C)c2O)sc2c(CCC2)n1	MCULE-6637873685,PC-id_83322778	260.355	PJZRRLUKCIYHDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032044
c1(NC(=O)C2CCCC2)sc2c(CCC2)c1C#N	PC-id_706248,TIMTEC112109,CoCoCo_1963859,EMOLS-id_6780200,MCULE-3940757394,ZINC22_92256	260.355	CWSFHRJSYYNPJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032045
Cc1cc(n(n1)C)CC(=O)c1sc2c(c1)CCC2	PC-id_113658091	260.355	UAWMDSDZZIGEKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032046
CC1(C)OCc2c1nc(s2)NCc1ccccc1	EMOLS-id_96433250	260.355	GPAAIRGKHQZDOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032047
C#CC1CC(NC(=O)NC2Cc3cscc3C2)C1	ZINC22_2325787832	260.355	ZLNHJULNCKBGKP-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-032048
CCCC(c1cc2c(s1)C(=O)CC2)c1ncc[nH]1	PC-id_69124740,SCHEMBL4640779	260.355	WQOBHDPROMAHJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032049
CCCC(n1cncc1)c1cc2c(s1)C(=O)CC2	SCHEMBL2354507,PC-id_23365333	260.355	ZNRGNQSYDXMOLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032050
CCCn1ccnc1C(=O)c1sc2c(c1)CCC2	PC-id_61314580,EMOLS-id_314876064	260.355	DKJKNDVJJLTYPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032051
CCCn1ncc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114963883	260.355	YWXNMJOWAAVWBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032052
CCCn1nccc1C(=O)c1sc2c(c1)CCC2	PC-id_114972342	260.355	PMGLIEWKAREHPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032053
CCn1ccnc1CC(=O)c1sc2c(c1)CCC2	PC-id_113659157	260.355	MHMCQRWPLVVUDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032054
CCn1ncc(c1)CC(=O)c1sc2c(c1)CCC2	PC-id_113656333	260.355	NVNAURVTAWBASW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032055
Cn1ncc(c1)CCC(=O)c1sc2c(c1)CCC2	PC-id_113765847	260.355	HPVZZQBTQQENBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032056
CN(C(=O)c1cc2c(s1)CCC2)C1(C#N)CCC1	ZINC22_58368440,MCULE-5296630449,PC-id_51094678,EMOLS-id_33315389	260.355	KUVIMUJHBDVHAB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-032057
COc1ccc(cc1)CSC1CCn2c1cnc2	PC-id_11777400,SCHEMBL9200895	260.355	QDCCTRYPZSHTMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032058
COc1ccc(cc1)CSC1CCn2c1ncc2	SCHEMBL9195981,PC-id_10015485	260.355	DEYBQUSLIKDFAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032059
COc1ccc(cc1)CSC1Cn2c(C1)cnc2	PC-id_11777399,SCHEMBL9200800	260.355	ZOYNNQOXAKBANU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032060
COc1ccc(cc1)CSC1Cn2c(C1)ncc2	PC-id_10083977,SCHEMBL9204610	260.355	VCOZKIGZUSUSJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032061
COc1cccc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_315144231,PC-id_63591115	260.355	IXKBZGVEURQKHP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032062
COc1cccnc1C(c1sc2c(c1)CCC2)N	PC-id_108214493	260.355	QWWJESJJRBONBZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032063
COc1cccnc1NCc1sc2c(c1)CCC2	PC-id_113370823,EMOLS-id_314742395	260.355	MJEQNHNLMSJCBS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032064
COc1ccc(nc1)NCc1sc2c(c1)CCC2	PC-id_113842574	260.355	HURDLGRMUVVMSD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032065
COc1cncc(c1)C(c1sc2c(c1)CCC2)N	PC-id_113672261	260.355	LLXIDSLZQFEMSY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032066
COc1nccc(c1)NCc1sc2c(c1)CCC2	EMOLS-id_314739895,PC-id_81848964	260.355	QOMJKKBQAQUVQK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032067
n1c(COc2ccc(cc2)CC)sc2CCNc12	PC-id_82090234,MCULE-2154232128	260.355	RCWPXQMPSBDSIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032068
n1c(COc2ccc(cc2C)C)sc2CCNc12	PC-id_82090237,MCULE-1782685149	260.355	QWHNITQOVMJUFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032069
n1c(COc2cc(C)cc(C)c2)sc2CCNc12	PC-id_82090239,MCULE-7136441110	260.355	DMWBVEWINTZFNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032070
N#CC1(CCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_314101673,PC-id_60659201	260.355	NBRLDZURCOGNIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032071
N#CC1CCN(C(=O)c2cc3c(s2)CCC3)CC1	MCULE-5188843310,PC-id_49063491,EMOLS-id_33318799,ZINC22_58369435	260.355	TZDBOYARJXDWRJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-032072
N#CCCN(C(=O)c1sc2c(c1)CCC2)C1CC1	PC-id_54997070,EMOLS-id_314118718	260.355	JFKAXPGOCBPHMN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-032073
O=C1CCc2c1sc(c2)CCCCc1ncc[nH]1	SCHEMBL4640783,PC-id_69124742	260.355	PVXPVQYWJFSYHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032074
O=C1CCc2c1sc(c2)CCCCn1cncc1	PC-id_69884978,SCHEMBL6748497	260.355	VJBSTTACRVNOQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032075
Oc1ccc(nc1)CNCc1sc2c(c1)CCC2	EMOLS-id_315395751,PC-id_79781340	260.355	NTQJWVVZKAEDCJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032076
Oc1n(CCCc2ccccc2)nc2c1CSC2	EMOLS-id_314755276	260.355	XMKCFNHLBXSTAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032077
O=C(c1sc2c(c1)CCC2)CCc1ccnn1C	PC-id_113765914	260.355	HQQWSOCQNVAWBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032078
O=C(c1sc2c(c1)CCC2)CCc1nccn1C	PC-id_113662902	260.355	CBKUPEUVWKLFOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032079
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)C#N	PC-id_64414094	260.355	ZTZCQLBWYJYXSP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-032080
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)C#N	PC-id_64444391	260.355	WFWYALDMQUGGAO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-032081
s1c2c(CCC2)cc1C(=O)NC1C(CCC1)C#N	PC-id_62962706	260.355	FLPFDJWRFTZNCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032082
s1c2CCCc2cc1C(=O)NN=C1CCC(=C1)C	PC-id_85015505	260.355	KDLPINQWUMRAKC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032083
s1c2CCCc2cc1C(=O)N/N=C/1CCC(=C1)C	PC-id_9462503	260.355	KDLPINQWUMRAKC-RVDMUPIBSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032084
s1c2CCCc2nc1CCOc1ccc(N)cc1	PC-id_82229585	260.355	IVEHQAZOBKWMLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032085
s1c2CCCc2nc1[C@@H](N)Cc1ccc(O)cc1	PC-id_83322770	260.355	UXSSMBNGJWZMFC-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-032086
s1c2CCCc2nc1C(N)c1cc(ccc1O)C	PC-id_83322779	260.355	FFCOUWCNIVQMEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032087
s1c2CCCc2nc1C(N)c1cc(c(O)cc1)C	PC-id_83322781	260.355	LJQQNFUYDJLJGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032088
s1c2CCCc2nc1C(N)c1ccc(OC)cc1	PC-id_61331886	260.355	HQVNJPQPWJOWCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032089
s1c2CCCc2nc1C(N)c1cc(OC)ccc1	PC-id_61331092	260.355	ZNZAAAPDFSZHFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032090
s1c2CCCc2nc1C(N)c1c(O)cc(cc1)C	PC-id_83322780	260.355	DBPMGCOZSNZTFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032091
s1c2CCCc2nc1C(N)c1c(OC)cccc1	PC-id_61330101	260.355	HTSNBTXGPVQKEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032092
s1c2CCCc2nc1COc1cc(c(N)cc1)C	PC-id_28343259	260.355	RBAIOSOYPKZIFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032093
s1c2CCNc2nc1CCOc1c(cccc1)C	PC-id_82090227	260.355	GHLUNEIOTUWRGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032094
s1c2CCNc2nc1CCOc1cc(ccc1)C	PC-id_82090229	260.355	FQDSBYJDZTUHOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032095
s1c2CCNc2nc1CCOc1ccc(cc1)C	PC-id_82090231	260.355	XGLMBFLKGUTGDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032096
s1c2CCNc2nc1COc1c(cccc1C)C	PC-id_82090235	260.355	UGMAAVWVQJZADO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032097
s1c2CCNc2nc1COc1c(ccc(c1)C)C	PC-id_82090236	260.355	MKLXEXIHWKHRJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032098
s1c2CCNc2nc1COc1c(c(ccc1)C)C	PC-id_82090238	260.355	ZWNPIQYCBOAQJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032099
s1c2CCNc2nc1COc1cc(c(cc1)C)C	PC-id_82090240	260.355	QCYWGMMMTJPEOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032100
s1c2CCNc2nc1COc1c(CC)cccc1	PC-id_82090232	260.355	QVEOBZRBJGZXRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032101
s1c2CCNc2nc1COc1cc(CC)ccc1	PC-id_82090233	260.355	CSESSRREYGWRCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032102
S1Cc2c([nH]n(CCCc3ccccc3)c2=O)C1	PC-id_83196891	260.355	JNPUMFVUJQRJAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032103
S([C@@H]1Cn2c(ncc2)C1)Cc1ccc(OC)cc1	PC-id_10912265	260.355	VCOZKIGZUSUSJD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032104
Cc1cc2NC(Nc3ccc(C)cc3C)Sn2n1	BindingDB-id_87247,EMOLS-id_2583372,MCULE-6076784312,ChEMBL-DNDi_CHEMBL1605045,CHEMBL1605045	260.358	JFVYGJSNFKDCKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032105
Cc1cc2NC(Nc3cccc(C)c3C)Sn2n1	EMOLS-id_232961919,PC-id_136245382,MCULE-6476299365	260.358	IHIJRSXIXZAIRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032106
Cc1cc2NC(Nc3cc(C)ccc3C)Sn2n1	PC-id_136245383,EMOLS-id_232961926,MCULE-5491479743	260.358	MHQIFDPEXLOWNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032107
Cc1cc2n(n1)S[C@H](Nc1cccc(C)c1C)N2	ZINC22_6968339	260.358	IHIJRSXIXZAIRH-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032108
Cc1cc2n(n1)S[C@@H](Nc1cccc(C)c1C)N2	ZINC22_6968341	260.358	IHIJRSXIXZAIRH-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032109
Cc1cc2n(n1)S[C@H](N[C@H](C)c1ccccc1)N2	ZINC22_20356945	260.358	CDBDSDSWKBQHBK-ZWNOBZJWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032110
Cc1cc2n(n1)S[C@H](N[C@@H](C)c1ccccc1)N2	ZINC22_20356946	260.358	CDBDSDSWKBQHBK-GXFFZTMASA-N	00000010100000110001000010000000000000000000000000000000	25-01-032111
Cc1cc2n(n1)S[C@@H](N[C@H](C)c1ccccc1)N2	ZINC22_20356947	260.358	CDBDSDSWKBQHBK-MFKMUULPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032112
Cc1cc2n(n1)S[C@@H](N[C@@H](C)c1ccccc1)N2	ZINC22_20356948	260.358	CDBDSDSWKBQHBK-GWCFXTLKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032113
Cc1ccc(C)c(N[C@@H]2Nc3cc(C)nn3S2)c1	ZINC22_6965554	260.358	MHQIFDPEXLOWNI-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032114
Cc1ccc(C)c(N[C@H]2Nc3cc(C)nn3S2)c1	ZINC22_6965555	260.358	MHQIFDPEXLOWNI-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032115
Cc1ccc(N[C@H]2Nc3cc(C)nn3S2)c(C)c1	ZINC22_13132469,CoCoCo_1977091	260.358	JFVYGJSNFKDCKT-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032116
Cc1ccc(N[C@@H]2Nc3cc(C)nn3S2)c(C)c1	ZINC22_13132470,CoCoCo_1977092	260.358	JFVYGJSNFKDCKT-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032117
Cc1cc(NCc2sc3c(c2)CCC3)nc(n1)N	PC-id_113227751	260.358	SHCWPRGWIVIQJO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032118
Cc1nc(NCc2sc3c(c2)CCC3)nnc1C	PC-id_114448425	260.358	ZQSZZDXBHJBNDE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032119
CCc1ccccc1NC1Nc2cc(C)nn2S1	BindingDB-id_87248,MCULE-6853393642,EMOLS-id_6798044	260.358	KXHKXHFBHKUADB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032120
CCc1ccccc1N[C@H]1Nc2cc(C)nn2S1	ZINC22_13132465	260.358	KXHKXHFBHKUADB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032121
CCc1ccccc1N[C@@H]1Nc2cc(C)nn2S1	ZINC22_13132466	260.358	KXHKXHFBHKUADB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032122
CCc1ccc(NC2Nc3cc(C)nn3S2)cc1	ChEMBL-DNDi_CHEMBL1602859,CHEMBL1602859,BindingDB-id_87250,EMOLS-id_232961923,MCULE-1961036431	260.358	ZNUKTHHHPBSRBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032123
CCc1ccc(N[C@H]2Nc3cc(C)nn3S2)cc1	ZINC22_13122013	260.358	ZNUKTHHHPBSRBO-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032124
CCc1ccc(N[C@@H]2Nc3cc(C)nn3S2)cc1	ZINC22_13122014	260.358	ZNUKTHHHPBSRBO-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032125
CC(NC1Nc2cc(C)nn2S1)c1ccccc1	MCULE-8009825921,EMOLS-id_232962009	260.358	CDBDSDSWKBQHBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032126
s1c(nc2CCCc12)C(N)c1n(C2CC2)cnc1	PC-id_66142264	260.358	KNNHYOGVWJJMDL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-032127
OC(c1sc2c(c1)CCC2)CCS(=O)(=O)C	PC-id_115790553	260.373	BNWYYDRBMVETCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032128
CC(C1CCCCC1)n1nc2CCC(C)c2c1C=O	MCULE-9792997757,EMOLS-id_330986165	260.375	RORXFXSTAWLGDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032129
CCCCCCCCC1=NC(=O)c2c1c(C)[nH]c2C	PC-id_118579463,SCHEMBL17339806	260.375	JZCADHRFCZHEII-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032130
C=CCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N	SCHEMBL11338783,PC-id_12894348	260.375	JLKWGNAVRKQTEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032131
C=CCN(C(=O)C1CCn2c1ccc2)CCCCC	PC-id_70213850,SCHEMBL7874014	260.375	BFQXDMGKHVQDAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032132
OCCCn1c(c2C(CC(c2c1C)(C)C#N)(C)C)C	SCHEMBL11751003,PC-id_12894299	260.375	QTANNVTZJSXIKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032133
c1(sc2c(CCC2)n1)NS(=O)(=O)CCCC	PC-id_84569954,EMOLS-id_181477638,MCULE-1633448741	260.376	JJOAGXVDWQUVDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032134
CC(c1sc2c(n1)CN(C2)S(=O)(=O)C)(C)C	SCHEMBL12341183,PC-id_59463908	260.376	XJIFGTFUXVRSQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032135
CS(=O)(=O)CCNCc1sc2c(n1)CCC2	PC-id_115887353	260.376	MCBZVAUDPMXPDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032136
NS(=O)(=O)CCNCc1sc2c(c1)CCC2	PC-id_114384909	260.376	JHZAJZKYYQCFCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032137
O=C(c1sc2c(c1)CCC2)C1=CCCCCCC1	PC-id_106655925	260.394	QJXYCKLLWGABHO-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-032138
C1Cc2c(C1)nc(s2)CN1CCC(=C2CC2)CC1	PC-id_121184287	260.398	GWIIBNHYKNAQTN-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-032139
C=C/C=CC(=C/C)C1C(C)Cc2n1c(CS)cn2	PC-id_142091434	260.398	VMXBMHCSFLHYKN-BZNMCICSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032140
CCn1cccc1CNCc1sc2c(c1)CCC2	EMOLS-id_315387428,PC-id_66411573	260.398	ZJZWHGPEBWXLHS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-032141
CCn1ccc(c1)CNCc1sc2c(c1)CCC2	PC-id_66415953,EMOLS-id_315380519	260.398	QKURTOPLZPKWIB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-032142
s1c2c(CCC2)cc1CNC1C(CCCC1)C#N	PC-id_62742418	260.398	DIFMEKAOXFWDLZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-032143
Cc1n(C)c2c(c1C)C(=NC2C(C)(C)C)C(C)(C)C	PC-id_58796793,SCHEMBL14595096	260.418	WUQQKQXUCWOEDZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032144
CC1CCc2c1c(CCl)nn2CC1CC1(F)F	MCULE-6461497747,EMOLS-id_331024907	260.711	IABANQVRMCINAG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032145
CC1CCc2nn(CC3CC3(F)F)c(CCl)c12	EMOLS-id_331008949,MCULE-4146961514	260.711	QNDVULQVIZDOTG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032146
Clc1ccc(cc1)C(=O)c1cc(n2c1NCC2)C	PC-id_102242064	260.719	MBYZAJRYSKJICF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032147
Clc1ccc(cc1)NCc1ccc2n1CCC2=O	PC-id_67704767,SCHEMBL8829595	260.719	KDQPSAGJOBFGDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032148
C1Cc2nc(c(n2C1)C=NNc1ccccc1)Cl	PC-id_134691398	260.722	VRKXOOGNAJQCIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032149
OC(=O)c1c(Cl)sc2c1C(C)(C)OC2(C)C	PC-id_114748457	260.737	BSALFXWDTTYOSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032150
CCCC(=O)OCc1c(Cl)nc2n1CCS2	PC-id_433544,CoCoCo_5604885,LI_187429	260.74	RUQHXDREKYBXIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032151
Clc1nc2n(c1S(=O)(=O)C(C)(C)C)C=CC2	PC-id_20680856	260.74	JYOUZAXGMMQGCM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032152
Clc1sc2c(C(NCCOC(=O)N)CC2)c1	EMOLS-id_315817095,PC-id_83211340	260.74	GZNDWZUWDFAFBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032153
NC(=O)C(CNC1CCc2c1cc(s2)Cl)O	PC-id_106171043	260.74	DTOHJJGMJUFILY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032154
ClCC(C(=O)Nc1n2CCSc2nn1)(C)C	PC-id_44007633	260.744	BRDBZUGRKRNSBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032155
Cl.c12n(c(c(n1)C)/C=N/N=C(N)N)CCS2	CHEMBL544387	260.747	RSSIZCOQASZYIR-SODSUQDMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032156
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)C	EMOLS-id_330970367,MCULE-6651171761	260.762	JHGHOYYWZMMKGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032157
c12C(C)CCc1nn(Cc1ccc(cc1C)Cl)c2	EMOLS-id_330998699,MCULE-2246235978	260.762	IEGYEHIGWUTGCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032158
c12C(C)CCc1nn(Cc1ccc(cc1Cl)C)c2	EMOLS-id_331001513,MCULE-7649195406	260.762	LOEZARKLZJXBHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032159
c12C(C)CCc1nn(Cc1cccc(C)c1Cl)c2	EMOLS-id_330997930,MCULE-3138102740	260.762	UXDDABVYONUDNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032160
c12C(C)CCc1nn(Cc1cc(C)ccc1Cl)c2	EMOLS-id_330998186,MCULE-9863685463	260.762	WWCPJDFOGUTVDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032161
c12C(C)CCc1nn(Cc1ccc(c(C)c1)Cl)c2	MCULE-9073220228,EMOLS-id_330998955	260.762	UKDXNIPGUHNSCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032162
c12C(C)CCc1nn(Cc1c(C)cccc1Cl)c2	MCULE-9557653751,EMOLS-id_331001769	260.762	XSXLIAUHWJQIQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032163
c12C(C)CCc1nn(Cc1cc(C)cc(Cl)c1)c2	MCULE-7697759845,EMOLS-id_331000490	260.762	HBXLVZRENSWEFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032164
c12C(C)CCc1nn(Cc1ccc(c(Cl)c1)C)c2	EMOLS-id_330999978,MCULE-7553590068	260.762	CIKJFYNUQZFTKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032165
c12C(C)CCc1nn(Cc1cccc(Cl)c1C)c2	MCULE-9372894791,EMOLS-id_331000234	260.762	WKAVMVJEEJNOPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032166
c12C(C)CCc1nn(Cc1cc(Cl)ccc1C)c2	MCULE-5442864052,EMOLS-id_331000746	260.762	FRQFOVNEPAOBBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032167
CC1CCc2c1c(CCl)nn2Cc1ccccc1	EMOLS-id_331024135,MCULE-9679199017	260.762	MWFBVNZEJLQWLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032168
CC1CCc2c1c(Cl)nn2Cc1ccccc1C	MCULE-8163964990,EMOLS-id_330974711	260.762	ZWRUNUOQFQDDQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032169
CC1CCc2c1c(Cl)nn2Cc1cccc(C)c1	EMOLS-id_330974456,MCULE-1978137750	260.762	JHIAVXQQMPIEGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032170
CC1CCc2c1cnn2Cc1cccc(C)c1Cl	EMOLS-id_331016172,MCULE-4216858017	260.762	SJNKIGOGFOXCNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032171
CC1CCc2c1cnn2Cc1c(C)cccc1Cl	MCULE-1005346887,EMOLS-id_331015916	260.762	WDXVFQRNFUEPJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032172
CC1CCc2c1cnn2Cc1cc(C)ccc1Cl	MCULE-1247689957,EMOLS-id_331016428	260.762	CBBCHPXSXBBRNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032173
CC1CCc2c1cnn2Cc1ccc(C)cc1Cl	MCULE-1535055685,EMOLS-id_331015660	260.762	QIHJTHJDVAXPRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032174
CC1CCc2c1cnn2Cc1ccc(C)c(Cl)c1	EMOLS-id_331018220,MCULE-7365255241	260.762	YMGJIWXQDDSZHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032175
CC1CCc2c1cnn2Cc1cc(C)cc(Cl)c1	MCULE-4958004387,EMOLS-id_331014637	260.762	BHDMRCQOHYDEAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032176
CC1CCc2c1cnn2Cc1cccc(Cl)c1C	EMOLS-id_331014381,MCULE-8313443395	260.762	VATKWVOLCFIESY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032177
CC1CCc2c1cnn2Cc1ccc(Cl)cc1C	EMOLS-id_331016941,MCULE-4830182351	260.762	QAHPLNWVNASXFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032178
CC1CCc2c1cnn2Cc1ccc(Cl)c(C)c1	MCULE-5056072629,EMOLS-id_331017197	260.762	VUGDZZVBAKEQBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032179
CC1CCc2c1cnn2Cc1cc(Cl)ccc1C	EMOLS-id_331014893,MCULE-5471048725	260.762	XWZLUKNHOGCIQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032180
CC1CCc2nn(Cc3ccccc3C)c(Cl)c12	EMOLS-id_330959795,MCULE-2022215517	260.762	UVSIZGFGGBMRTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032181
CC1CCc2nn(Cc3ccccc3)c(CCl)c12	MCULE-7629551048,EMOLS-id_331008177	260.762	RWUPAVRGCMKPLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032182
CC1CCc2nn(Cc3ccc(C)cc3)c(Cl)c12	EMOLS-id_331020971,MCULE-7134948754	260.762	DFTWRMQFVGZAIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032183
CC1CCc2nn(Cc3cccc(C)c3)c(Cl)c12	MCULE-9853477305,EMOLS-id_330959540	260.762	UFVAEPNATGWJOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032184
CC(C)(c1n[nH]c2CCCc12)c1ccccc1Cl	EMOLS-id_337934356	260.762	AXZAOOVQEACAKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032185
CC(C)(c1n[nH]c2CCCc12)c1cccc(Cl)c1	EMOLS-id_337936147	260.762	XYICMJXYLGVMMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032186
CC(C)(c1n[nH]c2CCCc12)c1ccc(Cl)cc1	EMOLS-id_337933843	260.762	CCEUDCKTOUXIHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032187
Clc1n(nc2c1CCC2)CCCc1ccccc1	PC-id_66021001	260.762	ZNWNEAQDADQXSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032188
[Te]1c2c(scc2)C=C1C#N	PC-id_13198217	260.77	AHLINRJHNPQBTL-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-032189
C1CN2C=CC=C2C1(C(=O)C3=CC=CS3)C(=O)O	PC-id_153747000	261.046	NTQHXAYIETUMLC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032190
C1CN2C=CC=C2C1(C(=O)C3=CSC=C3)C(=O)O	PC-id_153879379	261.046	CGQLNUVZGBOQBQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032191
C1CN2C=CC=C2C1C(=O)OC(=O)C3=CC=CS3	PC-id_153742321	261.046	ATEJGIHFOVHDSO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032192
Ic1cn2c(c1)C(=O)C(C2)C	PC-id_71117574,SCHEMBL14249006	261.06	FWPGPTSEVSVKQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032193
Brc1oc2c(C(O)(CC2)CC(=O)O)c1	PC-id_83913354	261.069	BSGKPCMWUXEUKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032194
Brc1oc2C(O)(CCc2c1)CC(=O)O	PC-id_83913353	261.069	VMBFJUIARPCYCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032195
Brc1oc(OC)c2c1C(OC2=O)(C)C	PC-id_11832177	261.069	HRSLUCAHJHYAKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032196
Brc1c(C(=O)OC)n2c(n1)OC(C)C2	CT-id_2202395	261.073	YQTAUAJFLSVZTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032197
Brc1n(nc2c1C(O)(CC2)C(=O)O)C	PC-id_83913359	261.073	WRAPQYPKMCYCRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032198
Brc1nn(c2CCC(O)(c12)C(=O)O)C	PC-id_83913360	261.073	VDELQWNIPCDZOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032199
Brc1n[nH]c2c1C(O)(CC2)CC(=O)O	PC-id_83913357	261.073	SFJFVIFOOBDNMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032200
c1(C(=O)OCC)nn2c(OCC2)c1Br	PC-id_97618008,ZINC22_96510769,EMOLS-id_49184273,MCULE-5452172321	261.073	CZMLGQOFUDGWER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032201
COC(=O)c1c(Br)nc2n1C[C@@H](O2)C	PC-id_139066008,2202395_OpenMolecule	261.073	YQTAUAJFLSVZTH-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032202
Brc1sc2C(CC(=O)c2c1)C(=O)O	PC-id_82647645	261.092	LTAAFXSZLUJTPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032203
Brc1sc(c2CCC(=O)c12)C(=O)O	PC-id_83671309	261.093	XCQANYLQJUCMSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032204
CCCCn1c(c2c(c1Cl)C(=O)N=C2Cl)O	PC-id_136896245	261.105	GWXMRHHHGMKWKI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032205
C1Cc2c(n(c(=O)n2C1)CCCBr)O	PC-id_91541780	261.116	JFAIQPPWEAKSCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032206
CC(=C1C(=O)c2c(C1=O)c(sc2Cl)Cl)C	CoCoCo_5770722,NSC704126,PC-id_396945	261.124	AJWRJROHZJZLAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032207
Brc1nn(c2c1C(C)(F)CC2)C(C)C	PC-id_105514124	261.134	RDSLBQOACDAHSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032208
CC1CCc2c1c(CBr)nn2CCF	MCULE-6062259589,EMOLS-id_331034379	261.134	MYZAQBZGFHAAHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032209
CC1CCc2nn(CCF)c(CBr)c12	EMOLS-id_331014587,MCULE-8462588933	261.134	BYFJYBFAYLMQAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032210
Brc1c2CCCc2sc1CC(=O)O	PC-id_84806707	261.136	YYHFIEDMGFIWCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032211
Brc1sc2c(c1)C[C@@](C2)(C)C(=O)O	SCHEMBL13575447,PC-id_70943319	261.136	AKVRDWIHYKFJGQ-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032212
Brc1sc2CC(Cc2c1)(C)C(=O)O	PC-id_77959666	261.136	AKVRDWIHYKFJGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032213
Brc1sc2C(CCc2c1)CC(=O)O	PC-id_83913364	261.136	UKVRHCQZZFXJGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032214
Brc1sc2c(C(CC2)CC(=O)O)c1	PC-id_83913365	261.136	GCQIUOTZUOGTQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032215
c1(C(=O)OC)c2CCCc2sc1Br	EMOLS-id_337651967,SCHEMBL3321873,MCULE-5512370522,PC-id_59291542	261.136	UCSNDBLSWWZHRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032216
CC1CCc2c1c(C(=O)O)c(s2)Br	PC-id_114748365,EMOLS-id_96637477	261.136	NKYOZKVMOAXGCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032217
COC(=O)c1c(Br)c2c(CCC2)s1	MCULE-6883459743,EMOLS-id_259749948	261.136	RNDJZYWLDLCSJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032218
BrCC(=O)Nc1sc2CCCc2n1	PC-id_63678785,EMOLS-id_39936511	261.139	MBUGTTMWNXWREA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032219
c12CN(Cc1sc(Br)c2C(=O)N)C	EMOLS-id_331063593,MCULE-1256613348	261.139	DBSLHVJFNSEBNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032220
c1(C(=O)NC)c2CNCc2sc1Br	MCULE-6650224963,EMOLS-id_331065645	261.139	DGKABKXEYCRESA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032221
c1(C(=O)N)sc2CN(Cc2c1Br)C	EMOLS-id_330872902,MCULE-6056900029	261.139	NHNHALYUEVKVCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032222
CC1(CC)C(=O)Nc2c1nc(s2)Br	PC-id_142026132	261.139	XSNQOHYAPXOEHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032223
Brc1c(oc2c1CSC2)C(C)(C)C	PC-id_84806710	261.179	JFOHSJZOIGYOMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032224
Brc1nn(c2c1CSC2)C(C)(C)C	PC-id_105514135	261.182	MDHHZGXMZKBYGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032225
c12CN(Cc1sc(Br)c2CNC)C	MCULE-8138488783,EMOLS-id_331063849	261.182	UYECLIQCXRJXCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032226
c12CN(Cc1sc(CNC)c2Br)C	MCULE-7834752324,EMOLS-id_330873158	261.182	MVJNCXHIDDPOON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032227
CC(C)(C)n1nc2CSCc2c1Br	PC-id_105514140,EMOLS-id_324398936,MCULE-4048749663	261.182	HDMNWFRZCUQZOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032228
CC(Cn1nc2c(c1Br)CSC2)C	PC-id_105514141	261.182	XJRBLJXNDYOUBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032229
CC(Cn1nc(c2c1CSC2)Br)C	PC-id_105514136	261.182	PUDAHHAKRBFASX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032230
CN(NC1CCc2c1cc(s2)Br)C	EMOLS-id_114843719	261.182	LXEAYZJRZINTGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032231
NCCNC1CCc2c1cc(s2)Br	EMOLS-id_71017403,MCULE-7205087772,PC-id_121680651	261.182	JTYUWZFLMCOAKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032232
FC(F)(F)c1nn(c2c1CCC2)CCCC(=O)[O-]	PC-id_28856240	261.22	ANVLDIZCEXPZDJ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-032233
FC(F)(F)c1nn(c2c1CCC2)C(CC)C(=O)[O-]	PC-id_74816084	261.22	XQVVJBMGDGMJQN-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-032234
FC(F)(F)c1nn(c2c1CCC2)[C@@H](CC)C(=O)[O-]	PC-id_42573994	261.22	XQVVJBMGDGMJQN-ZETCQYMHSA-M	00000010100000000001000010000000000000000000000000000000	25-01-032235
FC(F)(F)c1nn(c2c1CCC2)[C@H](CC)C(=O)[O-]	PC-id_42573997	261.22	XQVVJBMGDGMJQN-SSDOTTSWSA-M	00000010100000000001000010000000000000000000000000000000	25-01-032236
c12CN(Cc1nn(CC(F)F)c2CO)C(=O)OC	EMOLS-id_324345963,MCULE-9277268522	261.225	YVPCPJWMKSEACZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032237
OC(=O)C1CCn2c1ccc2C(=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1	PC-id_76973200	261.225	OZWKMVRBQXNZKK-GEPOPZQUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032238
O1C(Cn2c1nc([N+](=O)[O-])c2)COc1ccccc1	PC-id_16728949	261.233	VJCWFVKFNRABES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032239
O1[C@@H](Cn2c1nc([N+](=O)[O-])c2)COc1ccccc1	PC-id_73953244	261.233	VJCWFVKFNRABES-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-032240
CCC(C(F)(F)F)NC(=O)c1occ2c1CCC2	EMOLS-id_319173387	261.24	ZLBDNKVUESDDAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032241
c12CN(Cc1nn(CC1CC1)c2O)CC(F)(F)F	EMOLS-id_324338536,MCULE-8479796868	261.244	WMVDFHXYXXCRHF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032242
c12CN(Cc1nn(C(C)C)c2C=O)CC(F)(F)F	MCULE-5924386528,EMOLS-id_324347238	261.244	PSNVORCCOHICRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032243
c1(C(=O)N(C)C)c2CCCc2nn1CC(F)(F)F	EMOLS-id_324392016,MCULE-6932520155	261.244	XCTKHVYZCACEGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032244
CCCCC(=O)c1nn2C(CCc2n1)C(F)(F)F	PC-id_134577497,SCHEMBL20228888	261.244	ZXQMVUJRTBAKRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032245
CCC(C(F)(F)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_320087502,MCULE-5212208647	261.244	LHWLAHRJWLACMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032246
CCC(C(F)(F)F)NC(=O)c1nn2c(c1)CCC2	MCULE-7106769494,EMOLS-id_320318778	261.244	ZOBPIICFDNIORR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032247
CCC(C(F)(F)F)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318889625	261.244	UZQJIULUQBABHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032248
CCCC(=O)c1nn2C(CCc2n1)C(CF)(F)F	SCHEMBL20228899,PC-id_134577508	261.244	DXKDUVJQWGGQJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032249
CC(C)n1c2c(CN(C2)C(=O)C)c(n1)C(F)(F)F	PC-id_90162765,SCHEMBL15724388	261.244	JUVWVYDHTQUWBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032250
CC(n1nc2CCC(C)c2c1C(=O)N)C(F)(F)F	EMOLS-id_331020977,MCULE-1700754476	261.244	RMYFHTMNYMOUNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032251
CC(n1nc(C(=O)N)c2C(C)CCc12)C(F)(F)F	MCULE-4829742770,EMOLS-id_331034888	261.244	XRUDJGZFEMEDAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032252
O=C(C(C(F)(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_318949521	261.244	OIUILEIQKZGDQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032253
O=C(C(C(F)(F)F)C)NCc1n[nH]c2c1CCC2	MCULE-3401569092,EMOLS-id_320141390	261.244	VDIJYHJDHPKVQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032254
O=C(N1Cc2c(C1)c(n[nH]2)C(C)C)CC(F)(F)F	SCHEMBL19297287	261.244	MGKWTBVCRMFQLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032255
FC(C(=O)Nc1sc2c(c1C(=O)O)CCC2)F	PC-id_103513141	261.245	UPGWYKJCPBCIEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032256
C1Cc2c(C1)[nH]nc2C(=O)Nc1c(cc(cc1)O)F	PC-id_86787184,MCULE-8610706052,EMOLS-id_49929662	261.252	OUYNOVMNYSSXLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032257
S1c2n(C(=O)C1=NNc1ccccc1)c(=O)[nH]n2	PC-id_85543534	261.26	NRFSTAUGGUJGSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032258
CC1(Oc2c(n(c(c2O1)O)Cc1ccccc1)O)C	PC-id_90859678	261.273	AQUJEFNJRYPMDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032259
C[C@@H]1C[C@@]2(C(=O)N3Cc4occ(C(=O)O)c4C3)C[C@@H]12	ZINC22_2325780242	261.273	SEYHBSHECXCVAU-LJXOEOAUSA-N	00101010100000000000011010000000000000000000000000000000	25-01-032260
Cc1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324838893	261.275	LKXPEQNZOSJABS-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-032261
Cc1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324838895	261.275	AUKOZCUZBNUQPT-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-032262
Cc1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324837869	261.275	WYFXXYOILXMESB-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-032263
n12C(=O)CSc1nc(C=Cc1ccc(cc1)F)n2	MCULE-6288133307	261.275	QYIBEVANSNKXKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032264
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)C	MCULE-2249255360	261.275	WYFXXYOILXMESB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-032265
n12nc(nc1sc(=Cc1ccccc1F)c2=O)C	MCULE-9245878791	261.275	LKXPEQNZOSJABS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-032266
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)C	MCULE-7708842737	261.275	AUKOZCUZBNUQPT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-032267
S1c2n(nc(n2)/C=C/c2ccc(F)cc2)C(=O)C1	PC-id_82357982	261.275	QYIBEVANSNKXKK-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032268
S1(=O)(=O)N(CCC(=O)O)C(=O)c2c1csc2	PC-id_86154967	261.275	GOKZBIMMKHCRQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032269
S1(=O)(=O)N(CCC(=O)O)C(=O)c2c1scc2	PC-id_86154963	261.275	UHQDQILSUAJVMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032270
S1(=O)(=O)N(CCC(=O)O)C(=O)c2sccc12	PC-id_86154961	261.275	XWFRLWMQBPGCNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032271
S1(=O)(=O)N(C(=O)c2sccc12)CC(=O)OC	PC-id_10848978	261.275	VJJRLNWYZCWMRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032272
Cc1ccoc1C(=O)N1Cc2cnn(CCO)c2C1	EMOLS-id_36570101,PC-id_56740924,ZINC22_67561909,MCULE-4437022772	261.276	JCHDJEUVXAQJRI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032273
COc1ccc(cc1)Cn1c(=O)n2n(c1=O)CCC2	PC-id_102523857	261.276	FVTXZCAYHRWWIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032274
O=C(c1n[nH]c2c1CCC2)NCC(c1ccco1)O	PC-id_110899098	261.276	OMOLSOHUWUUTQV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032275
OCc1occ(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318840706	261.276	YRWHBXNNZQUOLL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032276
OCC(c1ccco1)NC(=O)c1n[nH]c2c1CCC2	PC-id_109945758	261.276	MHKYLPYSIWUPIM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032277
s1c2CCCc2c(c1NC(=O)/C=C/C(=O)[O-])C#N	PC-id_5656771	261.276	PIAPFXCCTUKVIL-SNAWJCMRSA-M	00000010100000000000000010000000000000000000000000000000	25-01-032278
s1c2CCCc2c(c1NC(=O)C=CC(=O)[O-])C#N	PC-id_78398509	261.276	PIAPFXCCTUKVIL-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-032279
c1(C(=O)NCc2ccco2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316338015,MCULE-6655992274	261.277	HSDRLLRPHPBWCW-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-032280
COC1Cn2c(C1)cc(n2)C(=O)NCc1ccco1	MCULE-5184226214	261.277	HSDRLLRPHPBWCW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032281
O=C(c1occ2c1CCC2)NC(c1nocn1)(C)C	EMOLS-id_318903416	261.277	BYXWPIKIRIIRDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032282
O=C(c1occ2c1CCC2)NCC(c1nocn1)C	MCULE-7247919619,EMOLS-id_320048987	261.277	ZJFJJRFUIZSFJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032283
OCc1occ(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318767466	261.277	UGMJQVGCOKIGNK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032284
OCC(c1ncc[nH]1)NC(=O)c1occ2c1CCC2	MCULE-4444925691,EMOLS-id_320188093	261.277	WABZRYLFYRDDSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032285
C1COc2cc(nn12)C(=O)NCCCn1ccnc1	PC-id_91959860	261.28	RCRXWADGEPFSSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032286
c1(C(=O)NCCc2onc(C)n2)c2CCCc2[nH]n1	EMOLS-id_323257009,MCULE-4952089859	261.28	VLVMNMIUKHUQIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032287
Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)no1	PC-id_53499643,EMOLS-id_35706582,MCULE-1420220996,ZINC22_65390734	261.28	QIHIMBGFMKFOQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032288
Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)on1	MCULE-5311479944,PC-id_53503936,ZINC22_42749710,EMOLS-id_35706540	261.28	HNTBCMXCKRLJCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032289
Cc1cc(C(=O)NC[C@H]2Cc3nnc(C)n3C2)no1	ZINC22_1772707308	261.28	UZVNVSJJGKENOY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032290
Cc1cc(C(=O)NC[C@@H]2Cc3nnc(C)n3C2)no1	ZINC22_1772707309	261.28	UZVNVSJJGKENOY-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-032291
Cc1cc(no1)C(=O)NCC1Cc2nnc(C)n2C1	EMOLS-id_317503092,MCULE-1370491302,PC-id_137345001	261.28	UZVNVSJJGKENOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032292
CC1=Nn2c(nc(n2)C(C)Cn2c(ccc2O)O)C1	PC-id_90894326	261.28	UJZLVVRBIDKTCW-UHFFFAOYSA-N	00000011110000000001000010000000000000000000000000000000	25-01-032293
Cc1noc(c1)C(=O)N[C@H](c1nnc2n1CCC2)C	PC-id_94024415	261.28	LOGYTSCHNDFVNC-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032294
Cc1noc(c1)C(=O)N[C@@H](c1nnc2n1CCC2)C	PC-id_94024416	261.28	LOGYTSCHNDFVNC-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032295
Cc1nonc1CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_49873596,ZINC22_215285754,MCULE-4956277981,PC-id_77082661	261.28	BABISXSDDGDRKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032296
CCc1[nH]cc(n1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_319388398	261.28	XFKFKBDJFJYBSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032297
Cn1cc(c(n1)CNC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_319319080	261.28	YNJQBCSWOFHHPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032298
CN(C(=O)c1nn2c(c1)OCC2)CCn1cccn1	EMOLS-id_99571522	261.28	GHFQVCXTFCFXJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032299
CN(C(=O)c1n[nH]c2c1CCC2)CCc1nocn1	EMOLS-id_319233409	261.28	JGFFRJSGKJYQHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032300
COc1[nH]nc(c1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318841735	261.28	MTYQUUTZDADBBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032301
COc1[nH]nc(c1)C(=O)NCc1cc2n(n1)CCC2	EMOLS-id_319013892	261.28	PXDJSMAIBRFQKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032302
COc1[nH]nc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319015766	261.28	JDKWCPLXVRRJLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032303
COCCn1ncc(c1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316430730,MCULE-9731478446	261.28	ZJAYMEXNFXJSRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032304
COCCn1ncc(c1)C(=O)N1CCn2c1ccn2	EMOLS-id_319822841,MCULE-7822036513	261.28	VIIAOLIZBVDDQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032305
COCn1ncc(c1)NC(=O)c1cnc2n1CCC2	EMOLS-id_258105912	261.28	UVVDXXAAJKFMOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032306
COCn1ncc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_278923421	261.28	UBDUOMVAJXHFJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032307
N#CCN1CCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_100508836	261.28	NSZDXKHTPYKJNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032308
o1nc(cc1C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_45819113	261.28	LOGYTSCHNDFVNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032309
O=C1N(C(c2n3N=C(Cc3nn2)C)C)C(=O)CC1C	PC-id_57604261	261.28	ZRFSKZDOGAJBBP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032310
O=C1N(CC(c2nc3n(n2)N=C(C3)C)C)C(=O)CC1	PC-id_57604444	261.28	RXVCAJONYWQYMP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032311
O=c1[nH]nc([nH]1)CN(C(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_319696004	261.28	LGTDYVSSKKIZRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032312
Oc1nn(c(c1)C(=O)NCc1nn2c(c1)CCC2)C	MCULE-5478013297,EMOLS-id_319890328	261.28	KHSGVLWJVCJOFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032313
Oc1nn(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319653044	261.28	DFPAZOJHISLIEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032314
O=C(c1cn2c(n1)CCC2)NC(c1nocn1)(C)C	EMOLS-id_318904049	261.28	JXSAZMALWYSYED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032315
O=C(c1cn2c(n1)CCC2)NCC(c1nocn1)C	EMOLS-id_318942262	261.28	SZBWAHVHEPKQAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032316
O=C(c1cnc2n1CCC2)NCC(c1nocn1)C	EMOLS-id_319658402	261.28	KNDATFSRLAYNFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032317
O=C(c1c[nH]c(=O)n1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319068262	261.28	NBJLOBSUGQHGNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032318
O=C(c1cnn2c1CCC2)NCC(c1nocn1)C	EMOLS-id_319313254	261.28	YCEKHSNQMUFMNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032319
O=C(c1nn2c(c1)OCC2)Nc1n(C)nc(c1C)C	EMOLS-id_99593597	261.28	OOUDZCMTVTVEMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032320
O=C(c1nn2c(c1)OCC2)NCC(c1ncc[nH]1)C	EMOLS-id_319720880	261.28	VYDSJBNFSQVWMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032321
O=C(c1nn2c(c1)OCC2)NCCCc1c[nH]nc1	EMOLS-id_319254579	261.28	QUCLTIBFOQZJQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032322
O=C(c1n[nH]c2c1CCC2)NC(c1nocn1)(C)C	EMOLS-id_319728299	261.28	DINYUPCJRMWNJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032323
O=C(c1n[nH]c2c1CCC2)NCC(c1nocn1)C	MCULE-6625960978,EMOLS-id_319817882	261.28	HFHFLEUKHIEPQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032324
O=C(NC1CC(n2c1ncc2)C)NCc1nocc1	MCULE-8017113149,EMOLS-id_320242965	261.28	MNNLEAKBOVAKBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032325
O=C(NCc1ccoc1)NCc1nnc2n1CCC2	PC-id_71893455,ZINC22_45387997,EMOLS-id_45753826,MCULE-6046830740	261.28	ZGCNAHNBVUMDBP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032326
s1c2CCCc2nc1NC(=O)c1nnc([O-])cc1	PC-id_33039000	261.28	PWTQLIMTFXJJAG-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-032327
c1(C(F)(F)F)oc2c(CCC2)c1CNCC(C)C	MCULE-6657074726,PC-id_83610552	261.283	AXFDNIJKTKBZSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032328
c1(C(=O)NCCCc2[nH]nnn2)c2CCCc2n[nH]1	MCULE-5349722286,PC-id_119058486,EMOLS-id_82699537,ZINC22_426361253	261.283	UXIRNVPOFKALER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032329
FC(F)(F)c1oc2c(CCC2)c1CNCCCC	PC-id_83610551	261.283	PZYSXGWYWGKTCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032330
FC(F)(F)c1oc2c(CCC2)c1CNC(CC)C	PC-id_83610553	261.283	OYKXHVUWQAJPJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032331
O=C(c1cn2c(n1)CCC2)Nc1nnn(n1)C(C)C	EMOLS-id_316544204	261.283	MBKKSLMBLQQBMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032332
O=C(c1cnc2n1CCC2)Nc1nnn(n1)C(C)C	EMOLS-id_316544971	261.283	RFIONOJCTHXBIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032333
O=C(c1cnn2c1CCC2)Nc1nnn(n1)C(C)C	EMOLS-id_258158248	261.283	IDSNQLSXSZAKTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032334
O=C(CCn1cnnn1)NCc1cnc2n1CCC2	EMOLS-id_319449931	261.283	SPLHYIPFGVKBIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032335
O=C(N(Cc1n2CCCc2nn1)C)c1nc([nH]n1)C	PC-id_80380475	261.283	MTKZYZVQUDOEIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032336
O=C(NC(c1n2CCCc2nn1)C)c1nc([nH]n1)C	PC-id_80383800	261.283	ZZSQUVYYLAXPTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032337
O=C(N(Cc1n2CCCc2nn1)C)c1[nH]ncc1N	PC-id_55178406	261.283	NXIXWPFADTWVKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032338
O=C(N(Cc1n2CCCc2nn1)C)c1[nH]nc(N)c1	PC-id_64525034	261.283	YWYHCHQBZNMZHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032339
Cc1nn(c2c1CN(C2)C(C)(C)C)CC(F)(F)F	SCHEMBL19498089	261.287	SPDDJHAJUIYGIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032340
CC(c1nn2c(n1)C(CC2C(F)(C)C)(F)F)(C)C	PC-id_134571305,SCHEMBL20221919	261.287	OHTFCUYTBGLXOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032341
OCC(CNC(=O)c1sc2c(c1)CCC2)(F)F	PC-id_104857078	261.288	ATXRKUHGMGVKTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032342
OC(C(F)F)CNC(=O)c1sc2c(c1)CCC2	PC-id_103769769	261.288	ACLIVCJHYVZMDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032343
C=CC(=C)[C@H]1C[C@H](c2n1nc(n2)C(=O)[C@@H]1C[C@@H]1C)F	PC-id_137412386,SCHEMBL20645780	261.295	JCEMVVUGHGVAFG-LNFKQOIKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032344
C=CC(=C)[C@H]1C[C@H](c2n1nc(n2)C(=O)[C@H]1C[C@H]1C)F	PC-id_137412388,SCHEMBL20645782	261.295	JCEMVVUGHGVAFG-LMLFDSFASA-N	00100010100000000001000010000000000000000000000000000000	25-01-032345
FCCc1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_319243321	261.295	ZYTQNJFMWWVWCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032346
Cc1c(n(c2c1OC(=O)C2)C)C(=O)c1cccs1	PC-id_88184296	261.296	HTQUNNGNJCCFBL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032347
n12CCC(C(=O)O)c1ccc2C(=O)c1cccs1	PC-id_20356074,EMOLS-id_207810341,SCHEMBL10959110,MCULE-5682531946	261.296	ISBAYGCFVXGYFW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032348
O=C1Oc2c(C1)n(c(c2)C(=O)c1ccc(s1)C)C	PC-id_18424262,SCHEMBL7678843	261.296	LKZHHSJELQQTIN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032349
O=C(c1c[nH]c(c1)C(=O)O)c1sc2c(c1)CCC2	PC-id_43463468,EMOLS-id_314071833	261.296	FCRHZTNDYCGFGG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-032350
OC(=O)C1CCn2c1ccc2C(=O)c1cscc1	PC-id_20356094,SCHEMBL10650378	261.296	QXJGPMJZRCHZPM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032351
S1(=O)(=O)Cc2c(C1)cn(c2)C(=O)c1ccccc1	PC-id_15686557	261.296	AYSMVKKPMCWBGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032352
Cc1ccc(c(n1)Nc1n[nH]c2c1CNC2(C)C)F	PC-id_57519205,SCHEMBL7013033	261.298	SGIXNLCWJBWZQF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032353
CN(Cc1nnc2n1CCC2)Cc1ncccc1F	EMOLS-id_319435900	261.298	WCTAJHDAAPQMRX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032354
C1Cc2c(cnn2C1)C=Cc1ncc(s1)C(=O)O	MCULE-4790556425,EMOLS-id_276236470,PC-id_136590690	261.3	OSKYSVKEOAVWOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032355
C1C=Cc2cnc(n12)NS(=O)(=O)c1ccccc1	PC-id_91365592	261.3	WBQSVPVRHRRUIU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-032356
COc1ccc(cc1)C(=O)c1c2n(CCS2)nn1	PC-id_134989895	261.3	CYIWZRTYBFKCMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032357
n12C(=O)CSc1nc(Cc1ccc(cc1)OC)n2	PC-id_82357949,MCULE-7600542693	261.3	ADQVKKKCASDGMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032358
n12C(=O)CSc1nc(COc1ccc(cc1)C)n2	MCULE-8664808872,PC-id_82357962	261.3	TXHJJTSBWURIRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032359
n12nc(nc1sc(=Cc1ccco1)c2=O)CCC	MCULE-6763438970	261.3	WEFVFQZIPSINCC-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-032360
O=c1cccc([nH]1)C(=O)Nc1sc2c(n1)CCC2	PC-id_114040349	261.3	FRFGXTOJBIJVFW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032361
O=c1ccc(c[nH]1)C(=O)Nc1sc2c(n1)CCC2	PC-id_46564996,EMOLS-id_314113761	261.3	NLZOSEOOICLCBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032362
Oc1cncc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315171441,PC-id_55258072	261.3	FVWYJKNBFIVXIR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032363
O=c1[nH]ccc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_103763528	261.3	XYRNBCKLDCFLGJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032364
O=C(c1ccncc1O)Nc1sc2c(n1)CCC2	PC-id_80707406,EMOLS-id_314790705	261.3	KSNLJGYGFZTBOY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032365
O=C(c1c[nH]ccc1=O)Nc1sc2c(n1)CCC2	PC-id_108101372	261.3	BGRLRWKJDXLJKY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032366
O=C(c1ncccc1O)Nc1sc2c(n1)CCC2	PC-id_54963802,MCULE-1536949974,EMOLS-id_49291664	261.3	UBXYWOPHMNFNBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032367
O=C(Nc1nc2c(s1)CCC2)c1cccc[n+]1[O-]	ZINC22_47298246,EMOLS-id_33350634,PC-id_47213267	261.3	IOBBRWXXZMYQQB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032368
OC(=O)C1CCc2c1nc(s2)Nc1cccnc1	PC-id_104287475	261.3	CZMUQXQQABYUTE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032369
OC(=O)c1ccc(cn1)Nc1sc2c(n1)CCC2	PC-id_113435905	261.3	DGSITVZTYURLCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032370
OC(=O)c1ccncc1Nc1sc2c(n1)CCC2	PC-id_105062646	261.3	QLNUMYVPJCNVRO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032371
O=C(O)c1cnc(/C=C/c2cnn3c2CCC3)s1	ZINC22_656612923	261.3	OSKYSVKEOAVWOL-ONEGZZNKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032372
s1c2CCCc2nc1Nc1cc(ncc1)C(=O)O	PC-id_54963851	261.3	CGEHJWCHCARHKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032373
s1c2CCCc2nc1Nc1c(cncc1)C(=O)O	PC-id_81244819	261.3	OFRSYUGBUGTQDW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032374
s1c2CCCc2nc1Nc1nccc(c1)C(=O)O	PC-id_54963849	261.3	UGDDYYBTGAFEHN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032375
s1c2CCCc2nc1Nc1ncc(cc1)C(=O)O	PC-id_54963850	261.3	ZPDVWTKJOUTOCY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032376
s1c2CCCc2nc1Nc1nc(ccc1)C(=O)O	PC-id_55053567	261.3	JVEKVDKEKRLRGX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032377
s1c2CCCc2nc1Nc1ncccc1C(=O)O	PC-id_61511898	261.3	PXOFLWLOGNDLKT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032378
s1c2CCCc2nc1NC(=O)C1C=CC(=O)N=C1	PC-id_75204708	261.3	LEBOSZHKAYCBEG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032379
s1c2CCCc2nc1NC(=O)c1cc[n+]([O-])cc1	PC-id_33039770	261.3	DXOIGQLKIFHFCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032380
s1c2CNCc2nc1NC(=O)/C=C/c1occc1	PC-id_82194063	261.3	ZFBPUMQXDTWOPP-ONEGZZNKSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032381
s1c2CN(Cc2nc1N)C(=O)/C=C/c1occc1	PC-id_82194174	261.3	YVLKGYWCWFPWAI-ONEGZZNKSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032382
S1c2n(nc(n2)CCOc2ccccc2)C(=O)C1	PC-id_82357954	261.3	XNQYRBUOAVXXEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032383
S1Cc2c(noc2NC(=O)Nc2ccccc2)C1	PC-id_49720612	261.3	HGNQOXPEJTYVHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032384
Nc1ccc(nn1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315222241,PC-id_55041864	261.303	IVMGPTPNZNZGCH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032385
Nc1cncc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_114035860	261.303	IYLAKMBTRNCJAA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032386
Nc1ncc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104159484	261.303	WBXSLJDKYFZAIK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032387
s1c(N/N=C/c3n(N=C2C)nc(n3)C)nc(c1)C	PC-id_23542632	261.306	RVOPAOGOAKOFMN-MDWZMJQESA-N	00000011100000000001000010000000000000000000000000000000	25-01-032388
s1c(N/N=C/2c3n(N=C2C)nc(n3)C)nc(c1)C	PC-id_58679623	261.306	RVOPAOGOAKOFMN-JYRVWZFOSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032389
s1c(NN=C2c3n(N=C2C)nc(n3)C)nc(c1)C	PC-id_74061284	261.306	RVOPAOGOAKOFMN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032390
c1(C(=O)c2ccc(cc2)F)c2CCCc2sc1N	MCULE-8092911072,SCHEMBL4057532,CHEMBL302195,PC-id_25799415,EMOLS-id_46217830	261.315	OGSMKDODPGCQDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032391
Fc1ccc(cc1)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2459916,PC-id_21955864	261.315	JBGIEXKXWOBHRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032392
Nc1sc2c(c1C(=O)c1cccc(F)c1)CCC2	CHEMBL339412,PC-id_11129084	261.315	IKCROCHLDCUTIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032393
O=C(c1ccc(c(c1)F)N)c1sc2c(c1)CCC2	PC-id_64192141,EMOLS-id_314293985	261.315	VXOLROBGUWKPQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032394
O=C(Nc1ccc(F)cc1)c1cc2c(s1)CCC2	PC-id_8744207,EMOLS-id_16799351,ZINC22_7638393,MCULE-3061072534,CoCoCo_3245727	261.315	YCTCUOPXAGAXQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032395
s1c2CCCc2cc1C(=O)Nc1cc(F)ccc1	PC-id_9042470	261.315	IPLUHPIDVNPKDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032396
s1c2CCCc2cc1C(=O)Nc1c(F)cccc1	PC-id_9203980	261.315	QTQBOKNGJXEIHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032397
s1c2CCCc2cc1NC(=O)c1ccc(F)cc1	PC-id_66523792	261.315	CYOMGHVAJITORY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032398
s1c2CCCc2cc1NC(=O)c1c(F)cccc1	PC-id_66523791	261.315	IVBNGJROHIJTMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032399
CCOC(=O)c1c(C)n2c(c1C=O)C(CC2)C(=C)C	PC-id_101492539	261.316	MBPHSEKNNADBOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032400
FCC(CS(=O)(=O)N1CCn2c1ccn2)(C)C	MCULE-8935401470,EMOLS-id_320202936	261.316	MHXDWMZYPUMBQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032401
O=C(C1CCCCC1)c1n2c(C(CC2)C(=O)O)cc1	PC-id_85749650	261.316	IGZYSHNLXBIFJK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-032402
OC(=O)C1CCc2c1nc(s2)CS(=O)(=O)C	PC-id_104287356	261.318	QFUPCFXAZBCAFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032403
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)C	EMOLS-id_37532225,PC-id_43145467	261.318	AQDSCDRFBOENEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032404
c1(C(=O)C2CN[C@H](C(=O)N2)C)cn(c2CCCc12)C	EMOLS-id_324791742,MCULE-3192043999	261.32	VMRDWLKKAXQNJS-YMNIQAILSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032405
c1(C(=O)NC2CC2)c2COCc2nn1CC1CCC1	MCULE-4224899420,EMOLS-id_324399452	261.32	KEIHGVQVVJZDHN-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-032406
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_101561856	261.32	UPBYBGDQZNRVFP-YPMHNXCESA-N	00000010100010000001000010000000000000000000000000000000	25-01-032407
C=C[C@@H]1OCCC[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101561865	261.32	PUOWYASVCGXOMF-YPMHNXCESA-N	00000010100010000001000010000000000000000000000000000000	25-01-032408
C=C[C@@H]1OCCC[C@H]1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101549093	261.32	JNBSWKDKFVONGM-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032409
C=C[C@@H]1OCC[C@H]1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_101199630	261.32	NTLOSDMESYRAHF-PWSUYJOCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032410
C=C[C@@H]1OCC[C@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319932667,MCULE-9692359242	261.32	AVMGDEWLGVKZRL-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032411
C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319063096	261.32	NXRWQKKGYWMORX-MFKMUULPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032412
CCC(=O)[C@@H]1CCCN1C(=O)c1cnc2n1CCC2	EMOLS-id_278897691	261.32	ZFOQCQNZOPGZBK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-032413
CCC(=O)[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316572757	261.32	RTBUXPVUJVPJRA-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-032414
OC[C@]12C[C@H]1CCCN2C(=O)c1cnn2c1CCC2	EMOLS-id_318970062	261.32	BQGMEXSRQBPYRW-QMTHXVAHSA-N	00100010100010000001010010000000000000000000000000000000	25-01-032415
OC[C@]12C[C@H]1CCCN2C(=O)c1nn2c(c1)CCC2	EMOLS-id_319682920	261.32	VIOYCYGXNYOINO-QMTHXVAHSA-N	00100010100010000001010010000000000000000000000000000000	25-01-032416
OC[C@]12C[C@H]1CCCN2C(=O)c1n[nH]c2c1CCC2	EMOLS-id_320092636,MCULE-4992968144	261.32	NFNOPTHRUPSPFR-YMTOWFKASA-N	00100010100010000001010010000000000000000000000000000000	25-01-032417
O=C(c1cc2n(n1)CCO2)NC(C1CC1)C1CCC1	EMOLS-id_101502228	261.32	CLKLYDHGZRCPTQ-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-032418
O=C(c1nc2c(o1)CN(C2)CC1CC1)NCC1CC1	CHEMBL3551506,PC-id_97407305	261.32	OKGRHBUNHHNZFH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032419
O=C(c1nc2c(o1)CN(CC1CC1)C2)N1CCCC1	ZINC22_96266009,EMOLS-id_44379846,PC-id_97525772,CHEMBL3553220	261.32	JOVDWRUWKQTEKH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032420
O=C(c1[nH]c2c(c1)CCC2)N1CC(C1)NC1COC1	EMOLS-id_319237008	261.32	QWJIDGPEGUJPDM-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-032421
O=C(c1nn2c(c1)OCC2)NC[C@@H]1C[C@H]1C1CCC1	EMOLS-id_102129880	261.32	QJHOQELXLCPEHS-QWRGUYRKSA-N	00101010100000000001100010000000000000000000000000000000	25-01-032422
O=C(c1n[nH]c2c1CCC2)N1CCOCC1C1CC1	PC-id_138995358,MCULE-7946645534,EMOLS-id_320338912	261.32	GTTASJDGPWTZDM-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-032423
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H]1C1CC1	ZINC22_89978973	261.32	GTTASJDGPWTZDM-GFCCVEGCSA-N	00100010100010000001100010000000000000000000000000000000	25-01-032424
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H]1C1CC1	ZINC22_89978974	261.32	GTTASJDGPWTZDM-LBPRGKRZSA-N	00100010100010000001100010000000000000000000000000000000	25-01-032425
OCCn1ncc2c1CN(CCCc1ccco1)C2	PC-id_91838109,MCULE-2001198008,CHEMBL4571989,EMOLS-id_55669627	261.32	RKNXRSDCRPHJQM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032426
C=CCC1=Cc2c(C1)c(C#N)nn2Cc1ccccc1	PC-id_23135154,SCHEMBL5519947	261.321	NHZFSRUYEDHHPL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-032427
C=CCC1=Cc2c(C1)n(nc2C#N)Cc1ccccc1	PC-id_23135140,SCHEMBL5535108	261.321	FXXJEHNJWRUWIG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-032428
CCCc1ncc(o1)CNC1CC(n2c1ncn2)C	EMOLS-id_279086672	261.323	WAGLWLIKMXNRAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032429
CC(C)(C)c1nnc(NCc2n[nH]c3c2CCC3)o1	PC-id_72858892,EMOLS-id_46040391,MCULE-1750089940,ZINC22_91444614	261.323	BRUYJEVRTFPJTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032430
CN(C(=O)C(=C1CNC1)C)Cc1nnc2n1CCC2	PC-id_116676588	261.323	LKIJDUOHVJVEHB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032431
o1nc(c(CNC(c2n3CCCc3nn2)C)c1C)C	PC-id_43748176	261.323	ZLXRFPMBUXUQAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032432
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)C1CC1	EMOLS-id_319180561	261.323	YBMOWIXJQZUIAY-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-032433
O=C(C1NCc2c1c[nH]n2)NC1CCN(C1)C1CC1	MCULE-7569818699,EMOLS-id_319943540	261.323	WUAUPTOFVZEQHQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-032434
O=C(C(=C1CNC1)C)NC(c1nnc2n1CCC2)C	PC-id_116675109	261.323	WLRBRDJSZURCSY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032435
O=C(NC1CC2C(C1)C2)NCc1nnc2n1CCC2	EMOLS-id_102124903	261.323	WCOBHEVDEFFNBD-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-032436
O=C(NC(c1n2CCCc2nn1)C)C1CC(N)C=C1	PC-id_79211092	261.323	GIWQUQHTXPQHMI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032437
O=C(N(Cc1n2CCCc2nn1)C)C1CC(N)C=C1	PC-id_79211366	261.323	MGTWSXPOINKJNO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032438
O=C(NNC1=NCCCCC1)c1n[nH]c2CCCc12	PC-id_2310944	261.323	GKTQVRMZXIZEGM-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-032439
CN(C)c1n[nH]c(CNCc2cnn3c2CCC3)n1	MCULE-6873264614,EMOLS-id_324038242,PC-id_146104832,ZINC22_1621112534	261.326	VTNKVIJKRSIMHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032440
Cc1ccsc1CNC(=O)c1occ2c1CCC2	ZINC22_351536834,MCULE-4792844690,EMOLS-id_320316666,PC-id_145888103	261.339	YTKHRHKBQLTDEI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032441
CN(Cc1ccco1)C(=O)c1cc2c(s1)CCC2	PC-id_51072844,ZINC22_48276777,MCULE-5860459919,EMOLS-id_31845145	261.339	NGQIYYZADYPPQY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032442
COc1cccnc1C(c1sc2c(c1)CCC2)O	PC-id_114054864	261.339	PEWREXLFWHPGKL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032443
COc1cncc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115828819	261.339	XOOJZWHXZZSWDQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032444
O=C(c1[nH]c2c(c1)CCC2)OCCc1cccs1	EMOLS-id_48819956,MCULE-6865337413	261.339	AETQOTGLHSDMSS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032445
s1c2CCCc2cc1C(=O)NC(c1occc1)C	PC-id_47113948	261.339	XNQCYXACHVBIHA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032446
s1c2CCCc2cc1C(=O)N[C@H](c1occc1)C	PC-id_9481910	261.339	XNQCYXACHVBIHA-VIFPVBQESA-N	00000010101000000000000010000000000000000000000000000000	25-01-032447
s1c2CCCc2cc1C(=O)N[C@@H](c1occc1)C	PC-id_9481911	261.339	XNQCYXACHVBIHA-SECBINFHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032448
c12CN(Cc1sc(N)n2)Cc1ccc(cc1)OC	MCULE-9595496458,PC-id_82194341	261.343	HFFHCYYPOIVDDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032449
c1(C(=O)NCc2ccc(C)s2)c2CCCc2n[nH]1	ZINC22_121923261,MCULE-1406987956,EMOLS-id_82741943,PC-id_119074256	261.343	BKTYZCCPCPIWPJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032450
c1(C(=O)NCc2cccs2)c2CCCc2n(C)n1	EMOLS-id_320483085,MCULE-1583547883,PC-id_84466073	261.343	GIGYBYUTYHYTSN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032451
c1(C(=O)NCCc2cccs2)c2CCCc2[nH]n1	EMOLS-id_180404671,PC-id_110678721,MCULE-4728616284	261.343	QIHWQVDFJULQSC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032452
Cc1ccccc1OCc1nnc2n1C[C@H](C)S2	CoCoCo_1057183,ZINC22_104717,PC-id_712172	261.343	XAFUFPLEHHQOGE-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-032453
Cc1ccccc1OCc1nnc2n1C[C@@H](C)S2	CoCoCo_1057184,ZINC22_104712,PC-id_712171	261.343	XAFUFPLEHHQOGE-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032454
Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)n1C	ZINC22_25768951,EMOLS-id_27372295,PC-id_33040649,CoCoCo_4319549,MCULE-7945912400	261.343	WPCNYRYUCTXTIH-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-032455
Cc1ccc(s1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318917801	261.343	UHJXZDVTEUWIGP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032456
Cc1cc(n(n1)C)NC(=O)c1sc2c(c1)CCC2	PC-id_86982690	261.343	KCMVSGGUJLGYAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032457
CC1Cn2c(COc3ccccc3C)nnc2S1	TIMTEC540006,EMOLS-id_2297379,PC-id_4042187,CHEMBL1347190,MCULE-1256854858,SPECS-id_AN-153/I219678	261.343	XAFUFPLEHHQOGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032458
Cc1c[nH]c(n1)CNC(=O)c1sc2c(c1)CCC2	MCULE-4809188004,EMOLS-id_316441003	261.343	QBMZOSKIPXXJED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032459
Cc1nc(cc(=O)[nH]1)NCc1cc2c(s1)CCC2	PC-id_136974582	261.343	WTDYWYLWJPLQKF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032460
Cc1scc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-5837703527,EMOLS-id_320057113	261.343	PPSNHVDSJIICSA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032461
CC(c1cn[nH]c1)NC(=O)c1sc2c(c1)CCC2	PC-id_103856035	261.343	SPQKZEFGLJOPCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032462
CCc1cn[nH]c1NC(=O)c1sc2c(c1)CCC2	PC-id_113293100,EMOLS-id_315879859	261.343	DXWBOPIOLRKBCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032463
CCC1=Nc2n(S1C(c1ccccc1)O)cnc2	SCHEMBL20743850	261.343	JIRYZOSEACGETE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-032464
CCc1[nH]nc(c1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_315879603,PC-id_112703407	261.343	QAPXMBTXZRCJGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032465
CCc1[nH]ncc1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319444531	261.343	BUFUNSPISBAKQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032466
C=CCC(C(=O)Nc1sc2c(c1C#N)CCC2)N	EMOLS-id_315697970,PC-id_81776148	261.343	RBXFGLZJCQMZAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032467
CCCn1nncc1C(=O)c1sc2c(c1)CCC2	PC-id_113661696	261.343	JPSLRNRUFOTODG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032468
C=CCNCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_71627796,EMOLS-id_314669992	261.343	QYFFKDXGASCIJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032469
CCn1ncnc1CC(=O)c1sc2c(c1)CCC2	PC-id_115779227	261.343	PMDQZHUXLGAISH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032470
Cn1cc(c(n1)C)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2456151,PC-id_21050760	261.343	JYSNZCPLGONYHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032471
Cn1nc2c(c1NC(=O)Cc1cccs1)CCC2	MCULE-1445071390,ZINC22_36704277,CoCoCo_5273040,PC-id_45496988,EMOLS-id_32181336	261.343	ZWWSMCNOOJRWGL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032472
COc1ccc(cc1)CSC1CCn2c1nnc2	SCHEMBL9205866,PC-id_22163063	261.343	BXSSKONWIZXHLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032473
COc1ccc(cc1)CSC1Cn2c(C1)nnc2	PC-id_19978560,SCHEMBL9204709	261.343	HTFZRXMHOZMVGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032474
COc1ccc(cn1)C(c1sc2c(n1)CCC2)N	PC-id_114937716	261.343	LQYDAUXRHUBFOG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-032475
COc1ccnc(n1)NCc1sc2c(c1)CCC2	PC-id_112687447,EMOLS-id_315028547	261.343	BQWUOCVRGMPCIF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032476
COc1cnc(nc1)NCc1sc2c(c1)CCC2	PC-id_114600452	261.343	ZUTTUGKIQCLFQF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032477
COc1nccnc1C(c1sc2c(c1)CCC2)N	PC-id_105031861	261.343	ZALKHURCZMWPIT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032478
COc1ncnc(c1)NCc1sc2c(c1)CCC2	PC-id_66326193,EMOLS-id_315398426	261.343	QQGCYZWMJBCLNH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032479
C(=O)(Nc1sc2CCCc2c1C#N)[C@@H]1CCCN1	MCULE-1508653634,EMOLS-id_328038106,PC-id_61258410	261.343	WMGCAOFEDBARDW-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-032480
n1c2CCCc2sc1CCNC(=O)c1ccc[nH]1	MCULE-1856300775,PC-id_110461104,EMOLS-id_181139892	261.343	KJVBMNVFPRJEKE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-032481
Nc1c[nH]c(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_61208927,EMOLS-id_314558790	261.343	UWFKZMKGUKEUKW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-032482
N#CC1(CC(C1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_80502162,EMOLS-id_314638965	261.343	NPQAHFWUIZXZPN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032483
N#CC1(CCCC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_55024554,EMOLS-id_314145363	261.343	JSLUQDDNIDKFEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032484
N#Cc1c(NC(=O)CC2CNC2)sc2c1CCC2	PC-id_64611621,EMOLS-id_315271419	261.343	SYKXFIYDJYFJMK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-032485
N#Cc1c(NC(=O)[C@H]2CCCN2)sc2c1CCC2	PC-id_104901068	261.343	WMGCAOFEDBARDW-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032486
N#Cc1c(NC(=O)CNC2CC2)sc2c1CCC2	PC-id_60647151,EMOLS-id_314105269	261.343	ZRBUAXQLFXYWSF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-032487
N#Cc1c(sc2c1CCC2)NC(=O)C1(CN)CC1	EMOLS-id_315670521,PC-id_113312934	261.343	YFBYGNRSVHTGBC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-032488
N#Cc1c(sc2c1CCC2)NC(=O)C1(N)CCC1	PC-id_81171651,EMOLS-id_314761998	261.343	OINIMKWITWZQJH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-032489
O=c1n(C)ccnc1NCc1sc2c(c1)CCC2	EMOLS-id_314921244,PC-id_62939571	261.343	DDNMDEKTFYIFPP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032490
O=C(c1cn[nH]c1C)NCc1sc2c(c1)CCC2	EMOLS-id_314938782,PC-id_61940864	261.343	WGUHPMGIWGZQSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032491
O=C(c1cscc1C)NCc1cnc2n1CCC2	EMOLS-id_319362662	261.343	RZVPLFZPHLJUGK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032492
O=C(c1cscc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319730738	261.343	KGNDLZIVUIWTNC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032493
O=C(c1sc2c(c1)CCC2)Nc1c(C)n[nH]c1C	PC-id_43399157,EMOLS-id_315164772	261.343	WYKHELNRYVSZCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032494
O=C(c1sc2c(c1)CCC2)Nc1[nH]nc(c1C)C	PC-id_112689243,EMOLS-id_314773890	261.343	FMSYQFAAJSJOHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032495
O=C(c1sc2c(c1)CCC2)NCc1c[nH]nc1C	EMOLS-id_314510019,PC-id_60767763	261.343	IFGQSPXXIXJRRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032496
O=C(c1sc2c(c1)CCC2)NC(c1[nH]ccn1)C	PC-id_116338001	261.343	GCXGRZWYHWPESL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032497
O=C(c1sc2c(c1)CCC2)NCc1[nH]ncc1C	EMOLS-id_317938581	261.343	BKBKLZFPDJCEFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032498
O=C(c1sc2c(c1)CCC2)NCCc1cc[nH]n1	EMOLS-id_317921202	261.343	VKLUIJKUOVRPTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032499
O=C(c1sc2c(c1)CCC2)NCCc1[nH]ccn1	PC-id_113247202,EMOLS-id_315020078	261.343	YCNBCLYOJGIJPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032500
O=C(c1sc2c(c1)CCC2)NCCc1[nH]cnc1	EMOLS-id_315346734,PC-id_64195330	261.343	IYVYJHUFKIJZDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032501
O=C(c1sccc1C)NCc1cnc2n1CCC2	EMOLS-id_320174048,MCULE-5654484498	261.343	UWMZNHVWIXSKSZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032502
O=C(Cc1cscc1)NCc1cnc2n1CCC2	MCULE-9518006221,EMOLS-id_320203788	261.343	RFYQZJXIYUNSGV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032503
O=C(NCCn1ccnc1)c1cc2c(s1)CCC2	EMOLS-id_31876318,PC-id_45805414,ZINC22_44896937,MCULE-5139053457	261.343	VPNJOTMQAVAWFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032504
s1c2c(CCC2)cc1C(=O)N1C(CNCC1)C#N	PC-id_79086132	261.343	NNLWSRVNTNTEKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032505
s1c2CCCc2cc1C(=O)N(Cc1c[nH]nc1)C	PC-id_64054396	261.343	IZTNZSSSURODLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032506
s1c2CCCc2cc1C(=O)N(Cc1[nH]ccn1)C	PC-id_63939663	261.343	YDZREBHCYLWSNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032507
s1c2c(CCC2)c(c1NC(=O)C1CCNC1)C#N	PC-id_63005478	261.343	VECJTSLOAIWYAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032508
s1c2c(CCC2)c(c1NC(=O)C1NCCC1)C#N	PC-id_60710728	261.343	WMGCAOFEDBARDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032509
s1c2CN(Cc2nc1N)Cc1cc(OC)ccc1	PC-id_82194340	261.343	AHSSNRUVFYMLTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032510
s1c2CN(Cc2nc1N)CCOc1ccccc1	PC-id_82194269	261.343	KITGZDZAHZCXLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032511
Cc1cncc(n1)NCCc1cn2c(n1)SCC2	EMOLS-id_99821089	261.346	VKFBKCZRFOEWFR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032512
Cc1ncnc(c1)NCCc1cn2c(n1)SCC2	EMOLS-id_99830587	261.346	KRAWPDYDHAOBKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032513
Nc1cc(NCc2sc3c(c2)CCC3)nc(n1)N	PC-id_108203857	261.346	NCXQVUODVIIUNN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032514
Cc1ccc(c(c1)C(c1sc2c(c1)CCC2)N)F	PC-id_113667033	261.358	YNYRYQKDVQYBMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032515
Cc1cc(F)cc(c1)C(c1sc2c(c1)CCC2)N	PC-id_105016375	261.358	SCLGPQMAFAXYLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032516
CNC(c1ccccc1F)c1sc2c(c1)CCC2	PC-id_115827745	261.358	ZGLLTHLIENLCHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032517
CNC(c1sc2c(c1)CCC2)c1cccc(c1)F	PC-id_115791733	261.358	RDIYNINVGZYBOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032518
Fc1ccc(c(c1)C(c1sc2c(c1)CCC2)N)C	PC-id_115851838	261.358	HGLBDURZROWZHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032519
Fc1ccc(c(c1)C)C(c1sc2c(c1)CCC2)N	PC-id_115852340	261.358	INNUKHVXRQKVCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032520
Fc1ccc(cc1)CNCc1sc2c(c1)CCC2	EMOLS-id_314544465,PC-id_61208147	261.358	WHTOQHIFCUVREQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032521
Fc1cccc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_314544721,PC-id_61209499	261.358	IAINWCNWQOGJHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032522
Fc1ccccc1CNCc1sc2c(c1)CCC2	PC-id_61208548,EMOLS-id_314100676	261.358	ZFOHTPGERKNKSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032523
NC(c1ccc(c(c1)F)C)c1sc2c(c1)CCC2	PC-id_113920981	261.358	VYHNFFWIIPCMDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032524
s1c2c(CCC2)cc1C(N)c1cc(c(F)cc1)C	PC-id_79747050	261.358	HPHLUVXLOZMURG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032525
s1c2c(CCC2)cc1C(NC)c1ccc(F)cc1	PC-id_43481232	261.358	DSSQWDKSPZFPAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032526
s1c2c(CCC2)cc1C(N)Cc1ccc(F)cc1	PC-id_61078871	261.358	BHUPXHADPJRDJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032527
s1c2c(CCC2)cc1C(N)Cc1cc(F)ccc1	PC-id_61078345	261.358	ZOZGTNBANXQPFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032528
s1c2c(CCC2)cc1C(N)Cc1c(F)cccc1	PC-id_61080008	261.358	ODGBVTXNYNHMGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032529
CCCCCCCCC1=NC(=O)c2c1c(C)oc2C	PC-id_118579460,SCHEMBL17339803	261.359	CPYDNDNTXUAGNU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032530
COC(=O)c1cc2c([nH]1)CCC2CC1CCCCC1	PC-id_59180172,SCHEMBL1003669	261.359	FQIKOHXBGWUCAJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-032531
c1(c2CCCc2n(C)n1)C(=O)N1C(C)CCCC1C	PC-id_110678742,EMOLS-id_180404734,MCULE-5800411340	261.363	GLYHXYRRGGABAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032532
c1(C(=O)N2CCCCC2CC)c2CCCc2n(C)n1	MCULE-8073314745,PC-id_110389057,EMOLS-id_179745235	261.363	LLLZZFLJWMQLRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032533
c1(C(=O)N2CC(C)CC(C)C2)c2CCCc2n(C)n1	MCULE-4819362808,EMOLS-id_320482317,PC-id_84465954	261.363	ZQSFDPJMACYGQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032534
c1(C(=O)NC2CCCCC2C)c2CCCc2n(C)n1	MCULE-2475396395,EMOLS-id_320482318,PC-id_84466409	261.363	RLJHDJLXVYFNID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032535
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1CCCC1	EMOLS-id_331018681,MCULE-8907285658	261.363	GZYADSCJFCTNPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032536
c1(C(=O)NC2CCCCCC2)c2CCCc2n(C)n1	EMOLS-id_179745217,MCULE-9994989724,PC-id_110389051	261.363	YRHOZOCAPBQEQS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032537
c1(C(=O)NC2CCCCCCC2)c2CCCc2[nH]n1	MCULE-6478227375,EMOLS-id_323259058	261.363	GLPRJHYJGVDIIC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032538
c1(C(=O)NC)c2CCCc2nn1CC1CCCCC1	EMOLS-id_324393040,MCULE-5110839795	261.363	RKHJYUASPPNRTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032539
c1(C(=O)N(C)C)c2CCCc2nn1CC1CCCC1	MCULE-5295023834,EMOLS-id_324390751	261.363	GKBPZLGXQRDZPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032540
CC1CCC(C1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319409328	261.363	DZWKYGLVWTUQEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032541
CC1CCCC(C1C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110528027	261.363	VNAXEOOQYWUWRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032542
CC1CCCC(C1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110587459	261.363	NEYSBWJFQXLTQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032543
CC1CCCCC1CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110609953	261.363	SNAFAHCYHPHYFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032544
CC1CCC(CC1)(C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110944377	261.363	NRKFZGSOWMFRBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032545
CC1CCC(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318840600	261.363	QRJYPCXYRMZMMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032546
CC1CCCC(C1NC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_111006416	261.363	QXIOURZRINQYNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032547
CC1CC(C)CC(C1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111109805	261.363	GDZKNQALWUMKNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032548
CC1CCCC(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111445726	261.363	ZJKBXAHENJMYME-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032549
CC1CCCC(N(C1)C(=O)c1cn2c(n1)CCC2)C	EMOLS-id_102948942	261.363	GUJXPQBFNBUUMN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032550
CC1CCCC(N(C1)C(=O)c1cnn2c1CCC2)C	EMOLS-id_102818775	261.363	NKXOLDIUKLVQHB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032551
CC1CCCC(N(C1)C(=O)c1nn2c(c1)CCC2)C	EMOLS-id_102928042	261.363	NXTMTGRRNXZAIN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032552
CC1CCCC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_45653003,MCULE-3409551804,PC-id_71929769	261.363	ADCZBMPAODHGDC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032553
CC1CCN(CC1(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_102816965	261.363	UKRZRYKYHUBYRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032554
CC1CCN(CC1(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102778686	261.363	APZCUWNOLGPDTD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032555
CC1CCN(CC1(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102505162	261.363	INNNSTPMPWRZTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032556
CC1CN(CC(C1)(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_102776862	261.363	JVQZZNVPARRJJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032557
CC1CN(CC(C1)(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102776829	261.363	LVKKCPAANMOYJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032558
CC1CN(CC(C1)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102271464	261.363	ZOVDFTUZHOTZQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032559
Cc1nc2n(c1/C=CN=C)CC(O2)CCCCCC	PC-id_143964172	261.363	DDYIVNOLAGQZJJ-KTKRTIGZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032560
CCC1CCCC1C(=O)NCc1cnc2n1CCC2	MCULE-3871659644,EMOLS-id_320270091	261.363	KVNPXUZIUXQNQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032561
CCC1CCCC1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319771763	261.363	HDFQCFPUNZACJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032562
CC(C1CCCC1NC(=O)c1cnc2n1CCC2)C	EMOLS-id_319839891,MCULE-8287409400	261.363	RZNKADMGBRQHMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032563
CCC1CCCC(C1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111126205	261.363	OLVLXIATXZIHDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032564
CCC1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_49025817,PC-id_84584209,MCULE-7629427912	261.363	KQPKIGKDKBKRDD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032565
CCCCCCC1Cn2c(c(nc2O1)C)C=CN=C	PC-id_90993281	261.363	DDYIVNOLAGQZJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032566
CC[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	PC-id_97561977,ZINC22_96409521	261.363	KQPKIGKDKBKRDD-LLVKDONJSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032567
CC[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	PC-id_97561978,ZINC22_96409522	261.363	KQPKIGKDKBKRDD-NSHDSACASA-N	00000010100000000101000010000000000000000000000000000000	25-01-032568
CC(C(=O)NCc1n[nH]c2c1CCC2)C1CCCC1	EMOLS-id_319220518	261.363	MDFLIMJCFOIFNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032569
C[C@H]1CCC[C@@H](C)CN1C(=O)c1n[nH]c2c1CCC2	ZINC22_89927428	261.363	ADCZBMPAODHGDC-MNOVXSKESA-N	00000010100000000101000010000000000000000000000000000000	25-01-032570
C[C@H]1CCC[C@H](C)N(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_89927431	261.363	ADCZBMPAODHGDC-QWRGUYRKSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032571
C[C@@H]1CCC[C@@H](C)N(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_89927433	261.363	ADCZBMPAODHGDC-GHMZBOCLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032572
C[C@H]1CCC[C@@H](C)N(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_89927434	261.363	ADCZBMPAODHGDC-WDEREUQCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032573
CCN1CCC[C@@H](C1)NC(=O)c1[nH]c2c(c1)CCC2	MCULE-8900643375,EMOLS-id_320018724	261.363	LLAIQOWYVGVNLX-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-032574
CC(=O)N(Cc1nn(c2c1CCC2)C)C1CCCC1	PC-id_86266568	261.363	NXFOJLDYKUSZJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032575
CN(/C=C
/Cc2c(C1=O)c(n(n2)C(C)C)C(C)C)C	PC-id_142345864	261.363	JEFAJWZIXMHSCY-FLIBITNWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032576
CN(/C=C/1C(=O)c2c(C1(C)C)nn(c2C(C)C)C)C	PC-id_142345784	261.363	VVTBVGQJNJPWTF-CSKARUKUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032577
CN([C@@H]1CCC[C@H]1NC(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_319876584,MCULE-4792350092	261.363	WFFKJDGNTVJCRK-TZMCWYRMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032578
Nc1sc2c(c1C(=O)c1ccccc1)CCS2	SCHEMBL13924618,PC-id_24897221	261.363	CIZBSAAFABRCAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032579
Nc1sc2c(c1C(=O)c1ccccc1)SCC2	CHEMBL301457,PC-id_44301446	261.363	VJCQLXOCGSIOIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032580
O=C(C1C(C1(C)C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_320032169,MCULE-5237673164	261.363	AVXBMYJLLMKSAI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032581
O=C(C1CC1(C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318889534	261.363	FWGUVXXCQZLHOY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032582
O=C(c1cc2n(n1)CCC2)N1CCCC(CC1)(C)C	EMOLS-id_102781818	261.363	OSTVKYOBAGMVQX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032583
S1(=O)(=O)Cc2n(ncc2C1)C(=O)c1ccccc1	PC-id_14983604	262.284	XYWBDWYICZBUDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032816
O=C(C1CCC(C1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318780341	261.363	REXUOWNFYRKWLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032584
O=C(C1(C)CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319608385	261.363	KWQRNQQMZHAGDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032585
O=C(C1CCCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318832596	261.363	TZMAUCPDUGSRQG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032586
O=C(c1cnn2c1CCC2)N1CCCC(CC1)(C)C	EMOLS-id_102697640	261.363	CBWSBGKQDMEXBP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032587
O=C(c1cnn2c1CCC2)N1CCCCC(C1)(C)C	EMOLS-id_102795743	261.363	IYYQLFUAXQJMQP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032588
O=C(c1nc2n(c1)CCC2)N1CCCC(CC1)(C)C	EMOLS-id_102948963	261.363	BVSBXJBNFMAITH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032589
O=C(c1nn2c(c1)CCC2)N1CCCCC(C1)(C)C	EMOLS-id_102858879	261.363	GVMIQJGRLBZUPF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032590
O=C(c1n[nH]c2c1CCC2)N1CCCC(CC1)(C)C	EMOLS-id_102572560	261.363	ZQCAMXYUNUFZNN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032591
O=C(c1n[nH]c2c1CCC2)N1CCCCC(C1)(C)C	EMOLS-id_102746651	261.363	UBXODGCVXTXZCQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032592
O=C(c1n[nH]c2c1CCC2)NC1CCC(CC1)(C)C	EMOLS-id_111145584	261.363	LIOMUHJACWLVKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032593
O=C(c1n[nH]c2c1CCC2)NC1CCCCC1(C)C	EMOLS-id_111256365	261.363	UHEDGWOBYWULCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032594
O=C(c1n[nH]c2c1CCC2)NCC1C(C1(C)C)(C)C	EMOLS-id_111530249	261.363	HKTAYLGJLINNCC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032595
O=C(c1n[nH]c2c1CCC2)NCCC1CCCCC1	EMOLS-id_98027773	261.363	VURPXBCYTBDLNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032596
O=C(CC1CCCC1C)NCc1cnc2n1CCC2	EMOLS-id_320322072,MCULE-5007028723	261.363	BGKZPIOJAGUDPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032597
O=C(CC1CCCC1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319638441	261.363	NDZJBXAAANNECV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032598
O=C(CC1(C)CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319560964	261.363	MNADJVHAUCSYLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032599
O=C(CC1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319959114,MCULE-2768407922	261.363	GLKMTMZCAQAGGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032600
O=C(CC(C1CC1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319242434	261.363	MENNNUMWBOEWTA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032601
O=C(NCc1cnc2n1CCC2)CCC1CCCC1	EMOLS-id_319229342	261.363	AORJPFMETIRILE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032602
S(C1C[n+]2n(C1)ccc2)Cc1ccc(OC)cc1	PC-id_19978571	261.363	NWMCSYOUNZKFLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032603
CCn1nc(c2c1CN(C2)S(=O)(=O)C)SC	SCHEMBL21334028,PC-id_139468232	261.364	VOKLOJBAMQGZAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032604
CNCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_61545240,EMOLS-id_38377978	261.364	JMUUTOITLBETRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032605
NCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_61511660,EMOLS-id_38357545	261.364	YLRXGQQPKPJXOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032606
NCC(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053343	261.364	CLTBCMOABQMVLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032607
S(=O)(=O)(N1Cc2sc(nc2C1)N)CCCC	PC-id_82194207	261.364	WHTMRLONAWJABF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032608
S(=O)(=O)(Nc1sc2c(n1)CNC2)CCCC	PC-id_82194096	261.364	VEYFOCYMIRRJAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032609
S(=O)(=O)(NCCc1nc2SCCn2c1)CC	PC-id_7640521	261.364	CRWXBQUOOGVFNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032610
CC(C1C(=Cc2n1c(C)nn2)CN1CCNCC1)C	PC-id_144492243	261.366	BLRZCESRFGWMEN-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-032611
N1(C2CC2)CC(NC(c2n3CCCc3nn2)C)CC1	PC-id_62981833	261.366	RLXJLDWVEFGJNY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-032612
N#CCCC(CNC(c1nnc2n1CCC2)C)(C)C	PC-id_104646643	261.366	YZKLZKGHXLZPKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032613
CCc1ccc(o1)CNCc1sc2c(c1)CCC2	PC-id_62346001,EMOLS-id_314869228	261.382	LFOLROUGMIBPQN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032614
CCCNC(c1sc2c(c1)CCC2)c1ccoc1	PC-id_115855473	261.382	TUQJAJDIJUKWHK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032615
CCNC(c1sc2c(c1)CCC2)Cc1ccco1	PC-id_105029607	261.382	TWHWSNQDVOMARD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032616
CCNC(c1sc2c(c1)CCC2)Cc1ccoc1	PC-id_105030190	261.382	ZKNVJMYWLIDZGB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032617
s1c2c(CCC2)cc1C(NC)c1c(oc(c1)C)C	PC-id_61717924	261.382	KIMZPSSHJPZWFR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032618
s1c2c(CCC2)cc1CNC(c1oc(cc1)C)C	PC-id_61208935	261.382	DUNJPBICNFLDAM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032619
s1c2c(CCC2)cc1C(NC)c1oc(cc1)CC	PC-id_62345158	261.382	LLLOJAAAJVDTAC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032620
s1c2c(CCC2)cc1C(NCC)c1oc(cc1)C	PC-id_61716880	261.382	CGHAPTYVKIFODJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032621
s1c2c(CCC2)cc1CNC(Cc1occc1)C	PC-id_63085673	261.382	AWMPHNXPDDBYND-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032622
s1c2c(CCC2)cc1C(NCCC)c1occc1	PC-id_61713111	261.382	BOPPWRKRXSHCES-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032623
s1c2c(CCC2)cc1CNC(CC)c1occc1	PC-id_62632555	261.382	WCGYUJYSQFBBTL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032624
s1c2c(CCC2)cc1C(O)c1[nH]c(c(c1C)C)C	PC-id_63926279	261.382	SFEAGRJDYYNMMD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-032625
s1c(C(N)c2c3CCCc3oc2C(C)C)ccc1	PC-id_83610308	261.382	WISRQLWZWZRNHR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032626
s1c(C(N)c2c3CCCc3oc2CCC)ccc1	PC-id_83610380	261.382	AJAMOZATCDZLKI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-032627
s1c(CNC(=O)C2CC3C(C3)C2)cc2c1CCC2	PC-id_80473707	261.382	WFGHGEYDUWOMLX-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-032628
COC(=O)c1sc(c2c1NC(S2)C)SC	PC-id_141927177	261.384	MWTAEUQVABNJNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032629
Cc1c(CNCc2sc3c(c2)CCC3)cnn1C	EMOLS-id_314660867,PC-id_79578994	261.386	PSWCMCWEWNPRIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032630
Cc1cc(n(n1)C)CC(c1sc2c(c1)CCC2)N	PC-id_104996055	261.386	KRAOAKPOMBPMKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032631
Cc1cc(n(n1)C)CNCc1sc2c(c1)CCC2	EMOLS-id_260098689,PC-id_65846505	261.386	HDJFRPVOVPFPCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032632
Cc1nccn1CCNCc1sc2c(c1)CCC2	PC-id_54960798,EMOLS-id_314122520	261.386	FKFYXXOWHOHRDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032633
Cc1[nH]nc(c1CNCc1sc2c(c1)CCC2)C	EMOLS-id_314101444,PC-id_61208753	261.386	OSIZNRJCTXMCEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032634
CC(c1ccnn1C)NCc1sc2c(c1)CCC2	PC-id_106757663	261.386	FBMHSLLBDJTPAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032635
CCCn1ncc(c1)C(c1sc2c(c1)CCC2)N	PC-id_113662347	261.386	BEVIEPAWXZDIBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032636
CCCn1nccc1C(c1sc2c(c1)CCC2)N	PC-id_115857371	261.386	VBSTZJABWAGDFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032637
CCn1ccnc1CC(c1sc2c(c1)CCC2)N	PC-id_113670649	261.386	JBMZHPZVZPWXDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032638
CCn1ccnc1CNCc1sc2c(c1)CCC2	EMOLS-id_314147804,PC-id_55064824	261.386	CLLXCCMOTLIMRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032639
CCn1cncc1CNCc1sc2c(c1)CCC2	EMOLS-id_315312635,PC-id_66134862	261.386	ZZAXBJYXLLNCAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032640
CCn1ncc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_115815362	261.386	OBEKBVABZXQSEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032641
CCn1nccc1C(c1sc2c(c1)CCC2)NC	PC-id_115857798	261.386	ILDNUJDCLAIKCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032642
CCn1ncc(c1)CC(c1sc2c(c1)CCC2)N	PC-id_115822199	261.386	OHHSQVXWSGWEJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032643
CCn1nccc1CNCc1sc2c(c1)CCC2	PC-id_115762276	261.386	WSXRLVODJMKPTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032644
CCn1ncc(c1)CNCc1sc2c(c1)CCC2	PC-id_62126899,EMOLS-id_314536438	261.386	DCMZQEITWFANER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032645
CCNC(c1ccnn1C)c1sc2c(c1)CCC2	PC-id_115858835	261.386	NTTOBOGHFXWENJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032646
CCNC(c1sc2c(c1)CCC2)c1ccn(n1)C	PC-id_103134957	261.386	BYBVGYWMTTVURG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032647
Cn1cc(c(n1)C)CNCc1sc2c(c1)CCC2	PC-id_81868224,EMOLS-id_315802949	261.386	OHUIBPSMFKJWHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032648
Cn1ccnc1CCNCc1sc2c(c1)CCC2	PC-id_114527548	261.386	JCUGTKRECNHOTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032649
Cn1ncc(c1)CCC(c1sc2c(c1)CCC2)N	PC-id_103029664	261.386	ZIHZDTSTHKYDHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032650
Cn1ncc(c1)CCNCc1sc2c(c1)CCC2	PC-id_103001035	261.386	PQAFFGDCHJWTKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032651
Cn1nccc1CCNCc1sc2c(c1)CCC2	PC-id_113762927	261.386	PXUMZMVZSYKRBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032652
CNC(c1cnc(n1C)C)c1sc2c(c1)CCC2	PC-id_114283536	261.386	ZPLWFUSFKLWNPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032653
CNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C	PC-id_105025212	261.386	ROBZISFQRXRTKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032654
CNC(c1sc2c(c1)CCC2)Cc1cnn(c1)C	PC-id_115821156	261.386	YYVDBQYKJLAWNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032655
CNC(c1sc2c(c1)CCC2)Cc1nccn1C	PC-id_113670851	261.386	NOIUUWXEVRWOET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032656
C(NCc1sc2c(c1)CCC2)CCn1ccnc1	EMOLS-id_315207613,PC-id_54961491	261.386	KYJBJHKCSIEGGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032657
NC(c1sc2c(c1)CCC2)CCc1ccnn1C	PC-id_103030438	261.386	KGMPKXOTDHFYQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032658
NC(c1sc2c(c1)CCC2)CCc1nccn1C	PC-id_113674620	261.386	GIWGFQLFOUSPKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032659
s1c2c(CCC2)cc1C(N)c1n(CCC)ccn1	PC-id_61314593	261.386	OPZGBDFCRGIFKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032660
s1c2c(CCC2)cc1CNC(c1cn(nc1)C)C	PC-id_61793621	261.386	SPCHSRBZAWKKHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032661
s1c2c(CCC2)cc1C(NC)c1n(CC)ccn1	PC-id_61314456	261.386	LVRXAZQBRSIYCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032662
s1c2c(CCC2)cc1CNC(c1n(ccn1)C)C	PC-id_64181668	261.386	DRWDYULMSPNNNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032663
s1c2c(CCC2)cc1C(NCC)c1cn(nc1)C	PC-id_43492375	261.386	XQKRLBHIPQVFLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032664
s1c2c(CCC2)cc1C(NCC)c1n(ccn1)C	PC-id_61315957	261.386	GDYPGGACKSDZQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032665
s1c2c(CCC2)cc1C(NCC)Cc1[nH]ccn1	PC-id_43493318	261.386	XDMCPZPTJGVUOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032666
o1c(c(c2c1CCC2)CNC1CCCC1)C(C)(C)C	PC-id_83610499	261.402	MXDZFYQFPJANGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032667
O=C(c1c2n(CCC2)c(c1)CCCC)CCCCC	PC-id_71714190	261.402	QJQKRSGNUFDYNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032668
CCC1CCc2c1nc([nH]2)C(C1CCCCC1)(N)C	PC-id_102970626	261.406	UYTZHJUFFCEBBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032669
CC(C1CCCCC1)n1nc2CCC(C)c2c1CN	MCULE-4837236931,EMOLS-id_330998449	261.406	SYZSXPKBEHSYSY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032670
CN(C)Cc1nn(CC2CCCCC2)c2CCCc12	MCULE-1305213290,EMOLS-id_324389461	261.406	OEWQOUIRXKETLJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032671
C=C(c1c(C)sc2c1CCC2)NC1CCCCC1	PC-id_144415578	261.426	NEQRLPWGXCMMGH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-032672
CCCNC(c1sc2c(c1)CCC2)CCCC#C	PC-id_105033778	261.426	SUQDSARAYCAFHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032673
CCCNC(c1sc2c(c1)CCC2)CCC#CC	PC-id_105037224	261.426	ZMSYYDAZGVWVKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032674
CNC(c1sc2c(c1)CCC2)CC#CC(C)(C)C	PC-id_114190591	261.426	UCYRYWIOVGPTQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032675
NC(c1sc2c(c1)CCC2)C1=CCCCCCC1	PC-id_113860846	261.426	BFCFYTHKXZINTO-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-032676
s1c2c(CCC2)cc1C(NC)C1=CCCCCC1	PC-id_62078546	261.426	QNAHZSWUPBHIPS-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-032677
s1c(C(NCC)C2=CCCCC2)cc2c1CCC2	PC-id_62078501	261.426	XKVJFPXYKAIYBG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-032678
s1c(C(NCCC)C2=CCCC2)cc2c1CCC2	PC-id_55033840	261.426	HINFKRMEMQSRPI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032679
CC(n1c2SNSc2n(c1=S)C(C)C)C	PC-id_144471786	261.43	DLBTYPGRFTZZGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032680
Clc1ccc(C(=O)c2[nH]c3c(OC(=O)C3)c2)cc1	PC-id_18424185,SCHEMBL7680883	261.661	ONXSTPYEHRXDCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032681
c12CN(Cc1nn(CCF)c2Cl)C(=O)OCC	MCULE-7473051929,EMOLS-id_324342625	261.681	BBJMQFJUNBSPTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032682
c1(C(=O)c2ccc(cc2)Cl)n2CCCc2nc1N	TIMTEC294368,ZINC22_4344097,MCULE-6376608229,EMOLS-id_2721114,PC-id_5200336	261.707	LSAMDCDDBBMVLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032683
c1(C(=O)Nc2ccccc2Cl)c2CCCc2[nH]n1	EMOLS-id_179744766,MCULE-4709488526,PC-id_110388900	261.707	DKXRDDWYZSENAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032684
c1(C(=O)Nc2ccc(cc2)Cl)c2CCCc2[nH]n1	EMOLS-id_179744772,MCULE-9759986068,PC-id_110388902	261.707	VQSAOUQDGJDGOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032685
c1(C(=O)Nc2ccccc2Cl)cn2c(CCC2)n1	EMOLS-id_321298393,MCULE-8770708850	261.707	KWDNUZRPNBAVDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032686
c1(C(=O)Nc2cccc(Cl)c2)c2CCCc2[nH]n1	MCULE-6299318229,PC-id_110388901,EMOLS-id_179744769	261.707	NJBBEUWEGSYVCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032687
c1(C(=O)Nc2cccc(Cl)c2)cn2c(CCC2)n1	EMOLS-id_321294554,MCULE-4924900833	261.707	WPZHYSVGPIJKDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032688
c1(C(=O)Nc2ccc(Cl)cc2)cn2c(CCC2)n1	MCULE-8257827534,EMOLS-id_321294810	261.707	OHSAXXJMNNMZMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032689
Clc1ccccc1Cn1nc(c2c1CNC2=O)C	PC-id_110171005	261.707	LQFNMDSWUMPEPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032690
O=C1Cn2c(N1)cc(n2)C(c1ccccc1Cl)C	PC-id_142202644	261.707	RMGLIEMONCKDIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032691
CCNC(=O)OCc1c(Cl)nc2n1CCS2	PC-id_433542,CoCoCo_5604882,LI_187426	261.728	BODRUIROBYDJHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032692
Clc1ccc(C(N)c2c3CCCc3oc2C)cc1	PC-id_83610145	261.747	WCOHCRVREYYAIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032693
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)Cl	MCULE-9401912869,EMOLS-id_330961402	261.75	RIBFLEBDNHPLRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032694
c12CN(Cc1nn(CC)c2Cl)Cc1ccccc1	MCULE-2252937156,EMOLS-id_324345185	261.75	DNBRFWADVMFOAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032695
c1(CNc2ccccc2Cl)c2CCCc2nn1C	ZINC22_921864670,MCULE-5762081283,EMOLS-id_336473713	261.75	XLJNJUJSPGFJQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032696
CC1CCc2c1c(N)nn2Cc1ccccc1Cl	MCULE-8185719341,EMOLS-id_330964216	261.75	UPYZVHGHXJHGNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032697
CC1CCc2nn(Cc3ccccc3Cl)c(N)c12	EMOLS-id_331013285,MCULE-8347941260	261.75	NQRAICKUSBMDIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032698
CC1CCc2nn(Cc3ccc(Cl)cc3)c(N)c12	EMOLS-id_331010471,MCULE-6805676933	261.75	VCMWZKQQNLTOCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032699
C[C@@H](c1ccccc1Cl)NC1CCn2c1ncc2	EMOLS-id_317974707	261.75	BZIIDNKWDOBLSM-NKUHCKNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-032700
Clc1nc2SCCn2c1/C=N/NC(=S)N	LI_185195,CoCoCo_5595431,NSC315233,PC-id_9560963	261.755	DYPZOLZDYYSLSF-XCVCLJGOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032701
Clc1nc2SCCn2c1C=NNC(=S)N	PC-id_5140374	261.755	DYPZOLZDYYSLSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032702
NC(=S)N/N=Cc1c(Cl)nc2n1CCS2	CoCoCo_5595432	261.755	DYPZOLZDYYSLSF-KMKOMSMNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032703
Clc1sc2c(C(NCCOCCO)CC2)c1	EMOLS-id_315490765,PC-id_81251942	261.768	RTDFZEMFGMBIDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032704
Clc1sc2c(C(NCC(OC)OC)CC2)c1	EMOLS-id_314390652,PC-id_81252489	261.768	HVHLKYFZCSXICK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032705
Clc1sc2c(C(NCC(O)COC)CC2)c1	PC-id_81252409	261.768	BNTSHWQQAGPSRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032706
Clc1sc2c(C(NCC(O)(CO)C)CC2)c1	PC-id_81252412	261.768	HAVOOYKCWBNRMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032707
Clc1sc2c(C(NC(CO)(CO)C)CC2)c1	PC-id_81962399	261.768	MQEGMMRZLZQELZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032708
COCC(NC1CCc2c1cc(s2)Cl)CO	PC-id_105650584	261.768	XSACFNLBCPTORS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032709
CC(NC1CCc2c1cc(s2)Cl)CSC	PC-id_116088071	261.834	PJJORXPEALFBPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032710
CC(SC)CNC1CCc2c1cc(s2)Cl	PC-id_115895604	261.834	SGNZTHBJQKTCJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032711
Clc1sc2c(C(NCCCSC)CC2)c1	PC-id_81251743,EMOLS-id_315492813	261.834	MIJXXPLEZUGZTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032712
O1Cc2c(B1OB1OCc3c1ccs3)ccs2	PC-id_141836669	261.921	JQPNDOOOWIERCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032713
CC1=CC2=C(S1)C=C(C2)I	PC-id_155170817	261.931	WBZZNSSNVZDLNN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032714
ClC1(Cl)c2nnsc2C(=C1Cl)Cl	PC-id_11043544	261.944	SOBYLERNTGFRRW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032715
C1Cc2c(C1)[nH]nc2C(=O)I	PC-id_163984967	261.96	TVMBMOBAZMHCPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032716
ClC1CC(Cl)c2c1c(Cl)sc2Cl	PC-id_78180303	261.984	FRIOLWQFTWFURX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032717
Cl[C@H]1C[C@@H](c2c1c(Cl)sc2Cl)Cl	CoCoCo_5770714,PC-id_396941,NSC704123	261.984	FRIOLWQFTWFURX-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032718
Cl[C@@H]1C[C@@H](c2c1c(Cl)sc2Cl)Cl	NSC704122,PC-id_396940,CoCoCo_5770712	261.984	FRIOLWQFTWFURX-WSOKHJQSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032719
Cl[C@@H]1C[C@H](c2c1c(Cl)sc2Cl)Cl	PC-id_102378758,CoCoCo_5770713	261.984	FRIOLWQFTWFURX-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032720
C/C=C/1C(=C(C#N)C#N)C2=C(SC(=C2C1=O)F)F	PC-id_163952854	262.001	SAVHXNDHYWXVOV-QHHAFSJGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032721
CC1c2c(cc([nH]2)I)C(=O)N1	PC-id_89793604,SCHEMBL15243663	262.048	LLSMKGJUIGSMEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032722
C1CC2=COC(=C2C1)C(=O)NC3=CN=C(C=C3)Cl	PC-id_154807692	262.051	SKQVJQBOKJQESA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032723
C1C(OC2=CC(=NN21)C(=O)O)CCCOC(F)F	PC-id_150344852	262.077	GSLWYNRTWLVKNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032724
C1C(OC2=CC(=NN21)C(=O)O)CCOCC(F)F	PC-id_152599148,EMOLS-id_337761995	262.077	YXDMRUMAVGFDLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032725
CCOC(=O)C1=NN2CC(OC2=C1)C(CO)(F)F	PC-id_151050312	262.077	MDZGYTZLXMMSFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032726
Brc1sc2c(CCC2=O)c1[N+](=O)[O-]	PC-id_83679211	262.081	OBDHXUMQCIAKPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032727
C1C(CC2=C1C=CS2)NC(=O)C3=NC=CNC3N	PC-id_163894335	262.089	QEHIWEKDNLAEPV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032728
c12C(C)CCc1n(nc2I)C	EMOLS-id_330983923,MCULE-1290901267	262.091	RIXFQAHHZVREJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032729
c12C(C)CCc1nn(C)c2I	EMOLS-id_330965173,MCULE-7299291754	262.091	LHANFCZNCYPAEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032730
CC1(C)Cc2c(I)cnn2C1	SCHEMBL18338362,MCULE-1240300046,EMOLS-id_324052731	262.091	CXQVYRINUQQKCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032731
In1cnc2c1CC(C2)(C)C	SCHEMBL18381800	262.091	MVTXVKDZSGQSBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032732
C1CC2=C(C=CN2C1)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_148268874	262.092	KTCSWJMMYPLUQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032733
C[C@H]1[C@H](C(C2=NN(C(=C12)Cl)C(C)(C)C)(F)F)C	PC-id_147434677	262.105	DVAFFLCKSSWVJA-NKWVEPMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032734
CC1CC2=C(C1(F)F)N(N=C2C(F)F)CC(=C)C	PC-id_153569781	262.109	JZSHERHBASZJDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032735
C[C@H]1CC2=C(C1(F)F)N(N=C2C(F)F)CC(=C)C	PC-id_153569787	262.109	JZSHERHBASZJDD-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032736
C1CC2=C(C1)SC(=C2)CNC(=O)NC3CC=CC3	EMOLS-id_48750768,PC-id_154750260,MCULE-4935231280	262.114	GBUSMMWECCPTQX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032737
Brc1sc2c(C(N(C2)C(=O)O)C)c1	PC-id_69851923,SCHEMBL6648069	262.124	VAUPOVUUKXUMEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032738
Brc1sc2c(C(N)(CC2)C(=O)O)c1	PC-id_83913372	262.124	HKIRIBCUZKPHGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032739
Brc1sc2C(N)(CCc2c1)C(=O)O	PC-id_83913371	262.124	DMBFYMQQZLLISR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032740
c12CN(Cc1sc(Br)c2C(=O)O)C	EMOLS-id_331065384,MCULE-7029472731,PC-id_83679812	262.124	VRQFSLNJXMNGQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032741
c1(C(=O)NC)c2COCc2sc1Br	MCULE-5600944233,EMOLS-id_331064352	262.124	YNHTXZZJJXKATA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032742
c1(C(=O)OC)c2CNCc2sc1Br	EMOLS-id_331067180,MCULE-3377082415	262.124	BBTVDVJIPJAHBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032743
c1(C(=O)O)sc2CN(Cc2c1Br)C	MCULE-8714479840,EMOLS-id_330871366	262.124	BBIPRMJVHBAWRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032744
CN1CCc2c1c(Br)c(s2)C(=O)O	PC-id_97749374	262.124	NDFKQNJTXIKREO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032745
COC(=O)c1c(Br)c2c(CNC2)s1	EMOLS-id_303202440,ZINC22_307265021,MCULE-9588636457	262.124	BELXMXYCUGNYOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032746
CCOC(=C=O)C1=NN(C2=C1C(CC2)C)CC(=O)C	PC-id_153575564	262.132	SWDIBGIHJZNQTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032747
Brc1c2CCCc2sc1C(N)CO	PC-id_84807046	262.167	VLUYZJVNVNCQCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032748
Brc1c2CCCc2sc1CN(O)C	PC-id_84807041	262.167	OYVUBGJRYOSHCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032749
Brc1c2CCCc2sc1C(O)CN	PC-id_84807047	262.167	RZNAENFXMBBKLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032750
Brc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_97279978,PC-id_112623617	262.167	ZYWQFJOXCKPTQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032751
Brc1sc2c(C(O)(CC2)CCN)c1	PC-id_83913376	262.167	SGHHPDFAMAQUOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032752
Brc1sc2C(O)(CCc2c1)CCN	PC-id_83913375	262.167	XLTUUWFNOXNBCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032753
c12CN(Cc1sc(OC)c2CBr)C	MCULE-5906552843,EMOLS-id_331065383	262.167	TXCXWCWICXWFJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032754
CCONC1CCc2c1cc(s2)Br	EMOLS-id_107842713	262.167	MEHSMCHWWRBFOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032755
NCc1c(Br)sc2c1C(C)(C)OC2	EMOLS-id_96828259	262.167	OGFSIZNFEOHYNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032756
OCCNC1CCc2c1cc(s2)Br	EMOLS-id_262016674	262.167	CVTYQKUGPQCYOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032757
CCOC(=C)C1=NN(C2=C1C([C@@H](C2)C)C)CC(=O)C	PC-id_153575420	262.168	WOJMCJSJWKLTDP-BFHBGLAWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032758
ClC(=CCl)CNCc1sc2c(CCC2)c1	PC-id_79168111,EMOLS-id_42073932	262.199	SAVDAZIBFLSCRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032759
c1(C(=O)OC)c2C(C)CCc2n(CC(F)(F)F)n1	EMOLS-id_330996464,MCULE-3248920144	262.228	AJZWVXMCOKNPJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032760
c1(C(=O)OCC)c2CCCc2n(CC(F)(F)F)n1	MCULE-4461770268,EMOLS-id_324389970	262.228	ZWZIOVBSSBQYAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032761
CC1(C)Cc2nn(CC(=O)O)c(c2C1)C(F)(F)F	EMOLS-id_337931559	262.228	LBYCLMIDSYFCKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032762
CC1(C)CCc2c1nn(CC(=O)O)c2C(F)(F)F	EMOLS-id_337931303	262.228	YATPOLMXGBSWLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032763
CC1(C)CCc2nn(CC(=O)O)c(c12)C(F)(F)F	EMOLS-id_337932071	262.228	CLGKAKPZOLRQRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032764
CCC(C(=O)O)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8873430,PC-id_19616897,MCULE-3470597214	262.228	XQVVJBMGDGMJQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032765
CC[C@@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2	CoCoCo_6654094,ZINC22_12394731,PC-id_42573995	262.228	XQVVJBMGDGMJQN-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032766
CC[C@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_12394733,PC-id_42573998,CoCoCo_6654093	262.228	XQVVJBMGDGMJQN-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032767
CC(n1nc2CCC(C)c2c1C(=O)O)C(F)(F)F	MCULE-4458913878,EMOLS-id_330967995	262.228	WIUDJMVYLWTQIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032768
CC(n1nc(C(=O)O)c2C(C)CCc12)C(F)(F)F	MCULE-8341497081,EMOLS-id_330984959	262.228	WGWYGYVFBUNDLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032769
CCOC(=O)c1c2CCCc2nn1CC(F)(F)F	EMOLS-id_324389980,MCULE-9224058356	262.228	VQLPQVTYTAABRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032770
CCOC(=O)CC1CCc2c1c(n[nH]2)C(F)(F)F	SCHEMBL14484616,PC-id_71185076	262.228	FPGFLHTUNLIYQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032771
CCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2	SCHEMBL14484403,PC-id_71184930	262.228	UIEAKOLHJMRUPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032772
CCOC(=O)Cn1nc(c2c1CCC2)C(F)(F)F	PC-id_71204618,SCHEMBL14555832	262.228	YWLHLYOAYWUOIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032773
COC(=O)c1c2C(C)CCc2nn1CC(F)(F)F	EMOLS-id_330979505,MCULE-1368112228	262.228	IIVNXBWFXOPUEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032774
FC(F)(F)c1nn(c2c1CCC2)CCCC(=O)O	PC-id_19622719	262.228	ANVLDIZCEXPZDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032775
OCC(C(F)(F)F)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319512710	262.228	CTPDXGSNNVMPBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032776
c1(C(F)(F)F)c2CCCc2nn1CC/C(=NO)/N	CoCoCo_6654131,EMOLS-id_859477,EMOLS-id_45907914,ZINC22_12394800,CoCoCo_6654132,PC-id_19614726,TIMTEC352250,MCULE-2264968970,EMOLS-id_299979186	262.232	OEPPSHKZTKKGNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032777
c1(C(=O)NCC)c2CNCc2nn1CC(F)(F)F	MCULE-6722404001,EMOLS-id_324356704	262.232	CLUDZFBBGZSCCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032778
n12ncnc1sc(=CNc1ccccc1F)c2=O	MCULE-3540276173	262.263	VURPKASKGTUBEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-032779
n12ncnc1sc(=CNc1ccc(cc1)F)c2=O	MCULE-7518557667	262.263	PHQIXXWNHJEBID-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-032780
O=c1/c(=C/Nc2ccccc2F)/sc2ncnn12	PC-id_117588273,ZINC22_256055832	262.263	VURPKASKGTUBEE-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-032781
O=c1/c(=C/Nc2ccc(F)cc2)/sc2ncnn12	ZINC22_256055676,PC-id_117588263	262.263	PHQIXXWNHJEBID-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-032782
Cc1ncc(o1)CCNC(=O)c1cc2n(n1)CCO2	EMOLS-id_319652487	262.265	ZNCWSSNVCVWIFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032783
CCc1noc(c1NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99595454	262.265	MAQQQAMKLKVRJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032784
CCc1onc(c1NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99598500	262.265	CQOFBDMNPQNMOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032785
C#CCNC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319520902	262.265	FRCAAZBSMICOQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032786
CCOc1cc(C(=O)N=c2cc3n([nH]2)CCC3)on1	ZINC22_1875274744,MCULE-1305727241,EMOLS-id_324065134,PC-id_146105898	262.265	XQQFICHKKQWTSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032787
CN(C(=O)c1occ2c1CCC2)Cc1n[nH]c(=O)[nH]1	EMOLS-id_319267031	262.265	DRRRHSNHQHQDAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032788
COc1cc(OC)nc(n1)OC1CCn2c1ncc2	PC-id_117062351	262.265	AXUYBNDWGYMADW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032789
COc1noc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319510739	262.265	OUUZRIJJWGLZOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032790
O=C1CC(CC(=O)N1)CC(=O)N1CCn2c1ccn2	MCULE-6366388209,EMOLS-id_320249993	262.265	LKLTVYDTDLMTKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032791
O=C1NC(=O)C(C1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_318889048	262.265	ADGJIOBHUCYUTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032792
O=C(COc1nocc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319710680	262.265	UGYHOJHOJLYISX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032793
O=C(NC1CC(n2c1ncc2)C)COc1nocc1	EMOLS-id_319936878,MCULE-6867826068	262.265	VNWQFIXNJAFQDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032794
c1(C(=O)NC(C)c2n[nH]c(=O)[nH]2)c2CCCc2[nH]n1	PC-id_136282694,MCULE-2102541492,EMOLS-id_49885715,CHEMBL4548339	262.268	MYNOQFQYDBEIDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032795
Cc1cc(NC(=O)NCc2nnc3n2CCC3)no1	MCULE-7964823648,EMOLS-id_31871163,ZINC22_22327418,PC-id_18144082	262.268	AJKPJXKGZLUQRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032796
C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nc(=O)[nH][nH]1	PC-id_136728393,ZINC22_215849296	262.268	MYNOQFQYDBEIDA-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032797
C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc(=O)[nH][nH]1	ZINC22_215849245,PC-id_136728392	262.268	MYNOQFQYDBEIDA-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032798
O=C(N1CCn2c1ncc2)Nc1onc(n1)C(C)C	EMOLS-id_316701412	262.268	XWKDNPKDJDSWJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032799
O=C(NCc1n2CCCc2nn1)C1=NNC(=O)CC1	PC-id_53522284	262.268	UKKVYSQLSPFVJW-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032800
CC(C)n1nc(nn1)NC(=O)N1CCn2c1ncc2	PC-id_136564078	262.271	HBOVQAFLGWIINF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032801
O=C(N(Cc1n2CCCc2nn1)C)c1[nH]nc(n1)N	PC-id_55115384	262.271	WWKKWWWCTFKBIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032802
O=C(NC(c1n2CCCc2nn1)C)c1[nH]nc(n1)N	PC-id_62806498	262.271	SOZDFPBNABZLNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032803
c12CN(Cc1nn(CCC)c2CN)CC(F)(F)F	EMOLS-id_324349549,MCULE-9428947901	262.275	JALHKMPYMIAEBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032804
FC(CN(c1nc2c(s1)CCC2C(=O)O)C)F	PC-id_116319253	262.276	WBQZXPICAGKKSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032805
O=C(c1sc2c(c1)CCC2)c1ccc(o1)C(=O)O	PC-id_113896240	262.281	HGYMDFCCHATOKZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032806
S1(=O)(=O)C(c2c(C1)coc2)C(=O)c1ccccc1	PC-id_15150119	262.281	KTGNBVUARKSVQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032807
COc1cc(ccc1F)NC1CC(n2c1ncn2)C	EMOLS-id_258183801	262.283	FZWTUOKJNDQING-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032808
c1(NC(=O)/C=C/C(=O)O)sc2c(CCC2)c1C#N	CoCoCo_116399,EMOLS-id_18175728,MCULE-9731079084,PC-id_5724625,ZINC22_2911749,BAS-00675447,CK3118753	262.284	PIAPFXCCTUKVIL-SNAWJCMRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032809
c1(NC(=O)C=CC(=O)O)sc2c(CCC2)c1C#N	MCULE-6200117839,PC-id_2858687,EMOLS-id_300125803	262.284	PIAPFXCCTUKVIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032810
Cc1cncc(c1)Cn1c(=O)oc2c1ccs2=O	PC-id_142674391	262.284	BAYOSPOQAAZCJO-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-032811
OC(=O)/C=CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327916765,CoCoCo_116400	262.284	PIAPFXCCTUKVIL-PLNGDYQASA-N	00000010100000000000000010000000000000000000000000000000	25-01-032812
S1Cc2c(noc2NC(=O)/C=C/c2occc2)C1	PC-id_49720041	262.284	PWUGKWCHUWYZLL-ONEGZZNKSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032813
S1Cc2c(noc2NC(=O)C=Cc2occc2)C1	PC-id_75355105	262.284	PWUGKWCHUWYZLL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032814
S1(=O)(=O)Cc2c(nn(c2)C(=O)c2ccccc2)C1	PC-id_14983603	262.284	GBQFBJYTKQZRGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032815
Cc1ncc(c(n1)Nc1n[nH]c2c1CNC2(C)C)F	PC-id_139331585,SCHEMBL21179291	262.286	IENNBJJKOCQDTR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032817
COCc1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324899847	262.288	LJRKDFRIOCHSIO-YVMONPNESA-N	00000000110000000001000010000000000000000000000000000000	25-01-032818
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COC	MCULE-2388216957	262.288	LJRKDFRIOCHSIO-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-032819
N#CCN(c1nc2c(s1)CCC2C(=O)O)CC#N	EMOLS-id_314985149,PC-id_104287751	262.288	FOKCETZQSHPMBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032820
O=C(Nc1nc2c(s1)CCC2)c1ccc(=O)[nH]n1	CoCoCo_4109966,EMOLS-id_29568117,PC-id_33039001,MCULE-5738114458,ZINC22_25767320	262.288	PWTQLIMTFXJJAG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032821
OC(=O)C1CCc2c1nc(s2)Nc1cncnc1	PC-id_107590453	262.288	GSEGGPXWQNWXKH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032822
OC(=O)c1ncc(nc1)Nc1sc2c(n1)CCC2	PC-id_107372373	262.288	WHFWPCSUUFXDSX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032823
s1c2CCCc2nc1Nc1nc(cnc1)C(=O)O	PC-id_66449476	262.288	QRDRJCCVOPEOQF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032824
s1c2CCCc2nc1Nc1nnc(cc1)C(=O)O	PC-id_54963902	262.288	JXEPFJGAOTYKIR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032825
s1c2CCCc2nc1NC(=O)C1N=NC(=O)C=C1	PC-id_74630092	262.288	FELREYGJSRULIX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-032826
O=C(c1sc2c(c1)CCC2)CCCC(F)(F)F	PC-id_115792326	262.291	PIGWCEZJFJBVBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032827
s1nc(nc1N/N=C/1c2n(N=C1C)c(nn2)C)C	PC-id_23542635	262.294	LHNRMMBZQYIEIT-GHXNOFRVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032828
s1nc(nc1NN=C1c2n(N=C1C)c(nn2)C)C	PC-id_74061287	262.294	LHNRMMBZQYIEIT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032829
s1nc(nc1N/N=C/1c2n(N=C1C)nc(n2)C)C	PC-id_23542633	262.294	KYVZCSBWFOVMDJ-GHXNOFRVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032830
s1nc(nc1NN=C1c2n(N=C1C)nc(n2)C)C	PC-id_74061285	262.294	KYVZCSBWFOVMDJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032831
c12C(C)CCc1nn(Cc1c(C)cc(cc1F)F)c2	EMOLS-id_331001004,MCULE-3364220660	262.298	DMSPZKUEQBEENW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032832
c12C(C)CCc1nn(Cc1ccc(c(F)c1C)F)c2	EMOLS-id_331000748,MCULE-1699319572	262.298	BREYQOSTVFSVLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032833
c12C(C)CCc1nn(Cc1cc(F)cc(F)c1C)c2	EMOLS-id_331000492,MCULE-7961353340	262.298	NJMREFGCGGGPMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032834
CC1CCc2c1cnn2Cc1c(C)cc(F)cc1F	EMOLS-id_331015151,MCULE-9568630862	262.298	SYPNVNDPRPFPDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032835
CC1CCc2c1cnn2Cc1ccc(F)c(F)c1C	EMOLS-id_331014895,MCULE-9572309050	262.298	GODYTAVVEHBNET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032836
CC1CCc2c1cnn2Cc1cc(F)cc(F)c1C	EMOLS-id_331014639,MCULE-5816496989	262.298	KVFLFCBXCBGORO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032837
CC(c1cccc(F)c1F)n1cc2C(C)CCc2n1	MCULE-3590995163,EMOLS-id_331002274	262.298	VUNMQXLHXHQSSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032838
CC(c1ccc(F)cc1F)n1cc2C(C)CCc2n1	EMOLS-id_331001519,MCULE-5919543239	262.298	SAMAFOYHKSHHAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032839
CC(c1ccc(F)c(F)c1)n1cc2C(C)CCc2n1	EMOLS-id_331001775,MCULE-7044834432	262.298	YTTHBQXMWWIQNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032840
CC(c1cc(F)ccc1F)n1cc2C(C)CCc2n1	EMOLS-id_331002018,MCULE-8076479224	262.298	JRAPLTNOYUSFQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032841
CC(c1c(F)cccc1F)n1cc2C(C)CCc2n1	MCULE-8954045937,EMOLS-id_331005857	262.298	WZWHXSARICICKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032842
CCCCCC(/C=C/c1c(oc2=CC(=O)C=c12)O)O	PC-id_136469826	262.301	MYIZBLSESBIJLY-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032843
Fc1cccc(c1)C(=O)Nc1nc2CCCc2s1	CoCoCo_4164039,EMOLS-id_18861236,ZINC22_6526445,MCULE-5952429398,PC-id_3324392	262.303	FCILGWVHSDMLKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032844
Fc1ccc(cc1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_21277304,CoCoCo_4164000,MCULE-3922023115,PC-id_4247661,ZINC22_6321927	262.303	BSYBHMHMZYLAGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032845
Fc1ccccc1C(=O)Nc1nc2CCCc2s1	PC-id_4322465,MCULE-4733428978,ZINC22_6473643,EMOLS-id_13531094,CoCoCo_4164274	262.303	HDIYDJPWTJTEQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032846
Fc1cccc(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_104820625	262.303	KUARNKORGOJAMZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032847
O=C(Nc1ccc(F)nc1)c1cc2c(s1)CCC2	ZINC22_135045030,EMOLS-id_323947508,MCULE-9622794381,PC-id_113262899	262.303	DAHZFHABACYONY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-032848
C/C=C/C(=O)N1[C@@H](CC(C)C)c2c(C1=O)c(on2)C	PC-id_102228468	262.304	ITXWKLLKKWOCDF-PORFMDCZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032849
CN1CC[C@@H](N(C)C(=O)c2occ3c2CCC3)C1=O	ZINC22_585081830	262.304	JXNOWUMFLKNEMQ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032850
CN1CC[C@H](N(C)C(=O)c2occ3c2CCC3)C1=O	ZINC22_585081831	262.304	JXNOWUMFLKNEMQ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-032851
O=C1N(C)CCC1N(C(=O)c1occ2c1CCC2)C	EMOLS-id_177227223,MCULE-8459151264	262.304	JXNOWUMFLKNEMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032852
O=C(c1occ2c1CCC2)N1CC(C1)NC1COC1	EMOLS-id_318841593	262.304	IRORVVDQJDFBSC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-032853
OC(=O)C1CCc2c1nc(s2)CS(=O)(=O)N	PC-id_104287352	262.306	ZDCFSHVYPZFENU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032854
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)N	PC-id_115580163	262.306	PHLYLVGNMXKGST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032855
OC(=O)CS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_61508724,EMOLS-id_38357263	262.306	BVESSIZFOZQTQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032856
c12CN(Cc1nn(CC)c2C#N)C(=O)OC(C)(C)C	MCULE-7569601264,PC-id_105514551,EMOLS-id_324357993	262.308	ZONYTDPHHQYPMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032857
c12CN(Cc1nn(C(C)(C)C)c2C#N)C(=O)OCC	MCULE-8515123739,EMOLS-id_324357737	262.308	QTMCCBBHCSNQCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032858
C1Cc2c(C1)[nH]nc2C(=O)NC1C(C2C1OCC2)N	PC-id_91772340	262.308	QIAFGZSKSCUKDN-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-032859
c1(cn2c(CCC2)n1)C(=O)N1CCN(C(=O)C)CC1	MCULE-7650362509,EMOLS-id_321298387	262.308	IDFSQFINEAXQJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032860
c1(C(=O)N2CCC(CC2)C(=O)N)c2CCCc2[nH]n1	EMOLS-id_180404677,MCULE-4495562961,PC-id_110678723	262.308	BAEUENXQVQMTQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032861
c1(C(=O)N2CCN(CC2)C=O)c2CCCc2n(C)n1	PC-id_110388994,MCULE-6698986324,EMOLS-id_324765559	262.308	MNMZNNOIYZFFPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032862
c1(C(=O)NCC2CC(=NO2)CC)c2CCCc2n[nH]1	MCULE-9283251089,PC-id_119067307,EMOLS-id_82723171	262.308	OOIMMMAKJYKQRV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032863
c1(C(=O)NCCN2CCCC2=O)c2CCCc2[nH]n1	EMOLS-id_323258548,MCULE-8254105763	262.308	FDQCLPPEXSJTKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032864
c1(C(=O)N[C@@H]2[C@@H](N)[C@@H]3[C@H]2OCC3)c2CCCc2[nH]n1	EMOLS-id_55637736,MCULE-4582145303,ZINC22_219647575	262.308	QIAFGZSKSCUKDN-OAIFWDMCSA-N	00001010100000000001001010000000000000000000000000000000	25-01-032865
CC1(C)C(=O)NCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_225559793,MCULE-7142482169,PC-id_100678674,EMOLS-id_53757422	262.308	RLFLVWNQSQOTPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032866
CCC1(C)CC(=O)N(C1=O)Cc1nnc2n1CCC2	EMOLS-id_319341102	262.308	SICIGNSEUDKGTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032867
CCC1=NO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1	ZINC22_426526887	262.308	OOIMMMAKJYKQRV-SECBINFHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-032868
CCC1=NO[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1	ZINC22_426526888	262.308	OOIMMMAKJYKQRV-VIFPVBQESA-N	00000011100000000001000010000000000000000000000000000000	25-01-032869
CCCc1c(CC)cc2n1C(=C(C2=NO)C(=O)N)N	PC-id_102397815	262.308	RYFCJXAVICGWDJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-032870
C#CCC(NC(=O)NC1CC(n2c1ncc2)C)CO	MCULE-6796904760,EMOLS-id_258179406	262.308	JTWJRGXFMIDRBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032871
CC(C)(C)OC(=O)N(C)C1CCn2c1cc(n2)C#N	SCHEMBL15273716,PC-id_89816415	262.308	HVXLYARHRUWBJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032872
CCC(=O)N1CCN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102135577	262.308	XTNXXLPESQEIQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032873
CCC(=O)N1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102129001	262.308	OBQCWRCZUWMGAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032874
CCC(=O)N1CCN(C(=O)c2cnn3c2CCC3)C1	EMOLS-id_102135598,ZINC22_333645554,MCULE-8717650036	262.308	YAMOATKSYDCCTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032875
CCN1CC(CC1=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_101406013	262.308	ZHHBUDGCNWFZBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032876
CCN1CC(CC1=O)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101406019,MCULE-9542870846	262.308	BDDVFUKHZJOZNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032877
CCN1CC(CC1=O)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101407480	262.308	HVNOYZLVQJUESU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032878
CCN1C[C@H](NC(=O)c2cc3n(n2)CCC3)CC1=O	ZINC22_333583965	262.308	BDDVFUKHZJOZNW-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032879
CCN1C[C@@H](NC(=O)c2cc3n(n2)CCC3)CC1=O	ZINC22_333583970	262.308	BDDVFUKHZJOZNW-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-032880
CCn1c(C#N)nc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_118614195,SCHEMBL17380460	262.308	MYGKSOGJTOAMFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032881
CCn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C#N	PC-id_105514547	262.308	NYTNCSCRQFRAOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032882
CC(=O)N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	PC-id_78881281,GD-id_ZINC49678972,MCULE-4428418875,EMOLS-id_102311235	262.308	CRKRMBLOZDAUIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032883
CN1CC2CC1(CNC(=O)c1nn3c(c1)OCC3)C2	EMOLS-id_320124890	262.308	LFSNWKKMFVGHPM-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-032884
CN1CCC(C1=O)(C)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318254675	262.308	YOMMYQZCFFLVGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032885
N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_1565511223	262.308	QIAFGZSKSCUKDN-HSDOENETSA-N	00001010100000000001001010000000000000000000000000000000	25-01-032886
o1c(CNC(c2n3CCCc3nn2)C)ccc1CO	PC-id_64593143	262.308	GSPVCKKGHRGNBU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032887
O=C1CCC[C@@H](N1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_101083378	262.308	ZQLZGZHIVXOREE-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032888
O=C1CCC(CN1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98809876	262.308	FOXMVTXUCPAIAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032889
O=C1CC[C@@](N1)(C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318826447	262.308	SNHIVAFGOYWWAQ-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032890
O=C1NCC(C1NC(=O)c1cn2c(n1)CCC2)(C)C	EMOLS-id_316595096	262.308	YATNOJCIUVTLAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032891
O=C1NCC(C1NC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_316714188	262.308	ANGGDLDWFMUHQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032892
O=C1NCC(C1NC(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_278984619	262.308	ACHGHLGVIRXNPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032893
O=C1N(C)CCCC1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100331108	262.308	QPLYXGUUHLZLDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032894
O=C(C1CC1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C	PC-id_68440354,SCHEMBL2917573	262.308	AMYJIMTXRBUIBL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032895
O=C(C1CCCC1)Nc1[nH]nc2c1CN(C2)C(=O)C	SCHEMBL2922561,PC-id_68442038	262.308	GHNQABVOGJNLMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032896
O=C(C1CCCNC1=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319297088	262.308	MKBLLDQRJDTYSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032897
O=C(C1CCC(=O)N1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319855960	262.308	YPCRZSWSKZQWRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032898
O=C(C1CCN(C1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320210108,MCULE-2204865868	262.308	YCXGXXURSGNOCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032899
O=C(C1CC(=O)N(C1)C)NCc1cnc2n1CCC2	EMOLS-id_319562721	262.308	UYPDQQRJHZUCAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032900
O=C(C1CC(=O)N(C1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319813104	262.308	DSIIMBIQUJXCFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032901
O=C(C1CN(C1)C(=O)C)NCc1cnc2n1CCC2	MCULE-2736837755,EMOLS-id_320069722	262.308	BERGOLPIBBLPOE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032902
O=C(C1CN(C1)C(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319942848,MCULE-2342338268	262.308	NWEVVWDTSWSHED-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032903
O=C(c1cnc2n1CCC2)N1CC(C1)NC1COC1	MCULE-3342385198,EMOLS-id_320256370	262.308	KDAZOXVIKSQZFB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032904
O=C(c1cnn2c1CCC2)N1CC(C1)NC1COC1	MCULE-7993676848,EMOLS-id_320049652	262.308	CULFJHMUXADYEV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032905
O=C(c1nn2c(c1)CCC2)N1CC(C1)NC1COC1	MCULE-3513050745,EMOLS-id_320069781	262.308	XXELFDWXCWKZOE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032906
O=C(c1n[nH]c2c1CCC2)N1CC(C1)NC1COC1	EMOLS-id_318781091	262.308	UNIUABKEAMFOPI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-032907
O=C([C@@H]1CCC(=O)N1C)NCc1n[nH]c2c1CCC2	EMOLS-id_320010258,MCULE-4849908716	262.308	YPCRZSWSKZQWRU-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-032908
O=C(CN1CCCC1=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320150521,MCULE-4678375887	262.308	RNODZYYEZTVGFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032909
O=C(N1Cc2c(C1)cn[nH]2)C1CN(C1)C1CCOC1	EMOLS-id_278356482	262.308	QXZBENYBIZROIJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-032910
O=C(N1CC(CCC1)C(=O)N)c1n[nH]c2c1CCC2	PC-id_78880598	262.308	BBAHXMWOGHRRMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032911
O=C(N1CCn2c1ncc2)C1CCCCN(C1=O)C	MCULE-8557421704,EMOLS-id_320041999	262.308	BMRWOQLNURUDTQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-032912
O=C(N1CCn2c1ncc2)C=CCN1CCOCC1	EMOLS-id_258164365,MCULE-7039981444	262.308	BFAKMKRAFQURIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032913
O=C(NCCNC(=O)c1n[nH]c2c1CCC2)C1CC1	PC-id_78880342	262.308	UOMAYLQPURFHHT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-032914
COCc1ccc(o1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_315892684,PC-id_113461686	262.324	PPFLTEZDTBHDOB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032915
c1(C(=O)NCc2ccco2)c2CCCc2sc1N	PC-id_4511550,EMOLS-id_841092,ZINC22_2558526,MCULE-9991926384,CoCoCo_6173629	262.327	ALWDDPDOEZWIJS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-032916
Cc1cc(CNC(=O)c2cc3c(s2)CCC3)on1	ZINC22_58358163,EMOLS-id_33319419,PC-id_51100519,MCULE-3761319120	262.327	ZQROEEPEDQAUPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032917
Cc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	CHEMBL1821906,PC-id_33039817	262.327	CUVZNBIXYJBRMT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032918
C#CCNC(=O)Cc1sc(c2c1CCC2)C(=O)N	PC-id_141443918	262.327	YZPCUROZVGVVDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032919
CC(=O)CCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327883789,PC-id_60704027,MCULE-9828572789	262.327	HHTPZMALDVZDSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032920
COc1cnn(c1C(=O)c1sc2c(c1)CCC2)C	PC-id_115809707	262.327	QMDNAOLAWPYZAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032921
COc1nccnc1C(c1sc2c(c1)CCC2)O	PC-id_113664770	262.327	HCBLCYSADAQYBH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032922
n1c2CCCc2sc1CCNC(=O)c1ccco1	EMOLS-id_181140096,PC-id_110461158,MCULE-7627359964	262.327	QBLVSTXZADERJH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032923
n1c2CCCc2sc1CCNC(=O)c1ccoc1	MCULE-3829904238,PC-id_110466359,EMOLS-id_181157426	262.327	YLQSXHDGRRZGQB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032924
N#Cc1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_3268177,ZINC22_4932662,PC-id_7419816	262.327	GLAIDUFYJCPSKN-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-032925
N#Cc1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	PC-id_7419818,ZINC22_4932666,CoCoCo_3268176	262.327	GLAIDUFYJCPSKN-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032926
N#CC1COCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_102408881	262.327	JEKHRWACPAIGCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032927
N#CC1OCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102374973,PC-id_78945796	262.327	UKPISQZJQVHJGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032928
O=C(C1OCCC1)Nc1c(C#N)c2c(CCC2)s1	PC-id_4162965,MCULE-5427847897,EMOLS-id_2976033	262.327	GLAIDUFYJCPSKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-032929
OCCn1nc(c2c1CCC2=O)Cc1cccs1	PC-id_22732937,SCHEMBL6164529	262.327	BVHPMUSIHSPRGT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032930
s1c2CCCc2nc1C(N)c1cc(O)c(O)cc1	PC-id_83326177	262.327	LNMPJOVKRLUWFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032931
s1c2CCCc2nc1C(N)c1c(O)ccc(O)c1	PC-id_83326182	262.327	AELBYSCHGDQKHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032932
s1c2CCCc2nc1C(N)c1c(O)cc(O)cc1	PC-id_83326174	262.327	UKKQKFSOFDDOQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032933
s1c2CCCc2nc1C(N)c1c(O)c(O)ccc1	PC-id_83326181	262.327	UGYOPMDEKJRPFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032934
s1c2CCCc2nc1NC(=O)CCc1occc1	PC-id_33040950	262.327	WVRSVUPZXCZGSW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-032935
s1c2CCNc2nc1COc1ccc(OC)cc1	PC-id_82090815	262.327	OLXKIJXJZIQIPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032936
s1c2CCNc2nc1COc1cc(OC)ccc1	PC-id_82090814	262.327	OLAALZBGZFRVEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032937
s1c2CCNc2nc1COc1c(OC)cccc1	PC-id_82090813	262.327	YTWUJUAVYXTQEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032938
s1c(Cc2n(c3CCC(c3n2)C(=O)O)C)ccc1	PC-id_84011010	262.327	MZKTZIUUFSXTCV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032939
S1C(n2c(C1)c(O)n(c2=O)Cc1ccccc1)C	PC-id_54391912	262.327	VHFQFGJVUDJFFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032940
S(=O)(=O)(N1Cc2c(C1)c[nH]c2)c1ccc(cc1)C	PC-id_15192254	262.327	OISMQIAHQFWZIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-032941
C1Cc2c(C1)sc(c2)CNc1c(c(=O)[nH]cn1)N	PC-id_136974580	262.331	WARVIHANEPRGEY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-032942
c1(cc(nn1C)C)C(=O)Nc1sc2c(CCC2)n1	MCULE-4342752694,ZINC22_9122451,EMOLS-id_29275295,PC-id_16952763,CoCoCo_5126184	262.331	CGIGKCHDSRNLLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032943
c1(C(=O)Nc2sc3c(CCC3)n2)cc(n(C)n1)C	PC-id_16952156,EMOLS-id_12356565,ZINC22_9001780,CoCoCo_5126062,MCULE-1710184567	262.331	JVABIQSWHLCNJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032944
c1(C(=O)Nc2scc(C)n2)c2CCCc2n(C)n1	EMOLS-id_180404770,MCULE-5017245682,PC-id_110678754	262.331	RMLOGYYDYSAGCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032945
c1(C(=O)Nc2sc(c(C)n2)C)c2CCCc2[nH]n1	PC-id_75490823,ZINC22_74643198,EMOLS-id_49250106,STOCK7S-47864,MCULE-7788387212	262.331	WTNQIBMTEGDHDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032946
c1(C(=O)NCCc2sccn2)c2CCCc2n[nH]1	EMOLS-id_44753110,STOCK7S-36386,ZINC22_95476761,PC-id_71705685,MCULE-6867561347,EMOLS-id_49406196	262.331	FGKBSBJXHPOQKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032947
c1(sc2c(CCC2)n1)NC(=O)c1ccn(CC)n1	PC-id_42138565,ZINC22_11738168,EMOLS-id_16976388,CoCoCo_5264050,MCULE-7955836265	262.331	XLBINUARKXHRMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032948
Cc1cc(C(=O)NCc2cc3n(n2)CCC3)ns1	MCULE-5686294576,ZINC22_585131463,EMOLS-id_177313859	262.331	WTPFCRSKYGMURJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032949
CC1CCn2c1c(CC(=O)n1cncc1)[nH]c2=S	PC-id_139294497,SCHEMBL21137010	262.331	YZORKQGVQVFRDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032950
Cc1ccsc1C(=O)NCc1nnc2n1CCC2	PC-id_45806075,CoCoCo_4651273,ZINC22_40489869,MCULE-4762603442,EMOLS-id_29997400	262.331	SQHNNQHNNANMKC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032951
Cc1ncc(s1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319501684	262.331	AOPXLFGTLYFLON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032952
Cc1ncc(s1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319609654	262.331	LTMJSTPAVKNUKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032953
Cc1n[nH]c(n1)C(=O)NCc1sc2c(c1)CCC2	EMOLS-id_315441588,PC-id_80381523	262.331	WPMMAKILWFLVHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032954
Cc1snc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319220843	262.331	SDGQBEGIBGNBTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032955
Cc1snc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319695398	262.331	PILYYJOKUCGMBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032956
CCc1nc[nH]c1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_316562984	262.331	UKZKTUIIUXBZII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032957
CC(c1nnc2n1CCC2)NC(=O)c1cscc1	MCULE-6486646890,EMOLS-id_31875226,PC-id_45804917	262.331	LEAXDADRSMBSKI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032958
C#CCCC(=O)NC(=Nc1nc2c(s1)CCC2)N	PC-id_88885728,SCHEMBL12162642	262.331	PEWOJXCSHXOSLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032959
C[C@H](NC(=O)c1ccsc1)c1nnc2n1CCC2	PC-id_94018278,ZINC22_44896707	262.331	LEAXDADRSMBSKI-QMMMGPOBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032960
C[C@@H](NC(=O)c1ccsc1)c1nnc2n1CCC2	ZINC22_44896709,PC-id_94018279	262.331	LEAXDADRSMBSKI-MRVPVSSYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032961
CN1Cc2c(C1)nc(o2)CN1Cc2c(C1)ncs2	PC-id_135189306,SCHEMBL20341609	262.331	VOYMVRNVHNIGMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032962
CN(Cc1ncc[nH]1)C(=O)c1nc2c(s1)CCC2	ZINC22_622361407,EMOLS-id_316956172,MCULE-9943188015	262.331	FPSJEJGFPCLBRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032963
CN(Cc1nccs1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_316536684,MCULE-1700435458,ZINC22_335391671	262.331	GNHSLBZVAOTMQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032964
CN(Cc1nnc2n1CCC2)C(=O)c1ccsc1	EMOLS-id_35688628,MCULE-7314142801,PC-id_53498848,ZINC22_48344817	262.331	NTHGQQDMXVZVNQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032965
CN(C(=O)c1cnc2n1CCC2)Cc1ccns1	EMOLS-id_278231399	262.331	DLHQXJWACRNXMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032966
CN(C(=O)c1n[nH]c2c1CCC2)Cc1ccns1	EMOLS-id_258017155,MCULE-6373412680	262.331	BREBZPLJWYRJBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032967
COc1cccc(NC2Nc3cc(C)nn3S2)c1	MCULE-3823571441,EMOLS-id_232961871,PC-id_136245379	262.331	SQIZIXVICGEWJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032968
COc1cccc(N[C@@H]2Nc3cc(C)nn3S2)c1	ZINC22_6964453	262.331	SQIZIXVICGEWJR-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032969
COc1cccc(N[C@H]2Nc3cc(C)nn3S2)c1	ZINC22_6964454	262.331	SQIZIXVICGEWJR-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-032970
n1c2CCCc2sc1CCNC(=O)c1cnc[nH]1	ZINC22_169932492,PC-id_110475352,MCULE-5953559679,EMOLS-id_68870925	262.331	XOVXUEXUSQYBMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032971
n1c2CCCc2sc1CCNC(=O)c1cn[nH]c1	EMOLS-id_49897321,PC-id_77096338,ZINC22_82267218,CHEMBL4513845,MCULE-8723542339	262.331	PEOQKLPPTLPXDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032972
n1c2CCCc2sc1CCNC(=O)c1[nH]ccn1	EMOLS-id_181158200,PC-id_110466591,MCULE-7148626918	262.331	ZUDITZPYGKWZOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032973
Nc1cc(n(c1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_54962824,EMOLS-id_315221687	262.331	BWSDMVUENUCDNW-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-032974
Nc1n[nH]c(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_64524675,EMOLS-id_315113323	262.331	FBACJSKPLZVNHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032975
N#CC1CSCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102348523	262.331	RFEJSPFQUWLVHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-032976
o1cnc(n1)C1(NCc2sc3c(n2)CCC3)CC1	EMOLS-id_319007876	262.331	RIXHYGUVXBJPSR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-032977
O=C(c1c(C)n[nH]c1C)Nc1sc2c(n1)CCC2	EMOLS-id_315207016,PC-id_54963804	262.331	YMQUKLPKCWNOSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032978
O=C(c1cnc[nH]1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102162400	262.331	SPDWRCSEEKMFSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032979
O=C(c1c[nH]cc1C)NCc1cn2c(n1)SCC2	MCULE-7585974552,EMOLS-id_177310188	262.331	OGVDBGJDQOZFKA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-032980
O=C(c1csnc1C)NCc1cnc2n1CCC2	MCULE-6312472872,EMOLS-id_320177719	262.331	DBPWZNWAAZUXTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032981
O=C(c1csnc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318985144	262.331	AIGROUJBKZQKOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032982
O=C(C1NCc2c1c[nH]n2)NCc1sccc1C	EMOLS-id_319438910	262.331	UOUUMELLDHRCRW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032983
O=C(c1n(C)nc2c1CCC2)Nc1csnc1C	EMOLS-id_318834441	262.331	ZWPWYQZKSVNVND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032984
O=C(c1n[nH]cc1N)NCc1sc2c(c1)CCC2	PC-id_63103600,EMOLS-id_314624581	262.331	XIHLSUOSIOPNIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032985
O=C(c1sc2c(c1)CCC2)Nc1c(N)cnn1C	EMOLS-id_314418904,PC-id_80360206	262.331	RNBRWFQDZKOUFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032986
O=C(c1sc2c(c1)CCC2)Nc1[nH]nc(c1N)C	PC-id_80360135,EMOLS-id_314688869	262.331	FYAUSSITVYVMHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032987
O=C(c1sc2c(c1)CCC2)Nc1nnn(c1C)C	EMOLS-id_101727729	262.331	JONNDFHXMWSBQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032988
O=C(c1sc2c(c1)CCC2)NCc1cn[nH]c1N	EMOLS-id_314923245,PC-id_79529844	262.331	SDTTYRFVELQKHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032989
O=C(c1sc2c(c1)CCC2)NC(c1[nH]ncn1)C	PC-id_103741554	262.331	JXVBGMPLTCTARA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032990
O=C(c1sc2c(c1)CCC2)NCCc1[nH]ncn1	PC-id_64529823,EMOLS-id_315262424	262.331	DXHLEVVXAXQHHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032991
O=C(c1scnc1C)NCc1cnc2n1CCC2	EMOLS-id_319134735	262.331	PDBVSMYDIFWGGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032992
O=C(Cc1cncs1)NCc1cnc2n1CCC2	EMOLS-id_320330093,MCULE-8567005694	262.331	BHFCQHFIIGNXRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032993
O=C(Cc1cscn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319062917	262.331	ZAKACHNJNDWFNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032994
O=C(N1CCn2c1ncc2)C(c1scc(n1)C)C	EMOLS-id_316581071	262.331	WRHBAXJGBIKRGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032995
O=C(NC1CC(n2c1ncc2)C)Cc1cncs1	EMOLS-id_318992705	262.331	VBNFOXNMGHJTAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032996
O=C(NCCc1nnc2n1CCC2)c1ccsc1	MCULE-7136303459,EMOLS-id_35706170,ZINC22_42502761,PC-id_53518712	262.331	DSPYECMPHBRTHU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-032997
s1c2CCCc2cc1C(=O)N(Cc1[nH]ncn1)C	PC-id_64511289	262.331	WYEPXYWQBRLMLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032998
s1c2CCCc2nc1NC(=O)c1n(ncc1C)C	PC-id_45531113	262.331	YEWSHBNYTBZLLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-032999
s1c2CCCc2nc1NC(=O)c1nn(cc1C)C	PC-id_45533404	262.331	SNAOCBAJFBAIOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033000
s1c2CCCc2nc1NC(=O)c1n(ncc1)CC	PC-id_49695165	262.331	OTNZWLXSGVXQAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033001
s1c(C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_60707621	262.331	GXMVMOHOLRERBX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033002
s1c(C(=O)NC(c2n3CCCc3nn2)C)ccc1	PC-id_60715578	262.331	VGCXJSTVKXKCCP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033003
Nc1ncnc(c1)NCCc1cn2c(n1)SCC2	EMOLS-id_319147131	262.334	GXUNHVGEUWRJRV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-033004
Cc1ccc(c(c1)C(c1sc2c(c1)CCC2)O)F	PC-id_113660686	262.342	GHSMSCFKPVDIKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033005
Cc1cc(F)cc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115823085	262.342	JPTKNQZVGFYSQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033006
Fc1ccc(c(c1)C(c1sc2c(c1)CCC2)O)C	PC-id_113660569	262.342	QVRQIZARDUZAMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033007
Fc1ccc(c(c1)C)C(c1sc2c(c1)CCC2)O	PC-id_115794052	262.342	XLXJLKCHMGOCAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033008
OC(c1ccc(c(c1)F)C)c1sc2c(c1)CCC2	PC-id_107130712	262.342	YVBMHDILNSQLMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033009
s1c2c(CCC2)cc1C(O)c1cc(c(F)cc1)C	PC-id_79746400	262.342	ZAKQYMMIQXDFIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033010
s1c2c(CCC2)cc1C(O)Cc1ccc(F)cc1	PC-id_55150651	262.342	GDVIOVRNTMZBGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033011
s1c2c(CCC2)cc1C(O)Cc1cc(F)ccc1	PC-id_63018275	262.342	RNKZQYLKAMQUFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033012
s1c2c(CCC2)cc1C(O)Cc1c(F)cccc1	PC-id_55149916	262.342	VBAQUYPUGKWCOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033013
c1(C(N)c2ccc(c(C)c2)F)sc2c(CCC2)n1	PC-id_62122589,MCULE-1735771233	262.346	OOLLEJGGRYIEOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033014
Cc1ccc(c(c1)C(c1sc2c(n1)CCC2)N)F	PC-id_114055181	262.346	JPTIVNMETOCIQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033015
CNC(c1ccncc1F)c1sc2c(c1)CCC2	PC-id_113673617	262.346	XXHJSKLFWJNNFG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-033016
CNC(c1sc2c(c1)CCC2)c1cncc(c1)F	PC-id_115804055	262.346	NLWMMJILMFJPQS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-033017
Fc1cncc(c1)CNCc1sc2c(c1)CCC2	PC-id_113626427	262.346	RRXKYLGAXPBBBY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-033018
NNC(c1ccccc1F)c1sc2c(c1)CCC2	PC-id_105292329	262.346	UZJYWSCDKSQULF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033019
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)F	PC-id_105284058	262.346	NXGUMZFCSHSDLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033020
NNC(c1sc2c(c1)CCC2)c1cccc(c1)F	PC-id_105285527	262.346	NWKBKZWQEFSGAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033021
s1c2CCCc2nc1CC(N)c1ccc(F)cc1	PC-id_82066878	262.346	BTZCLIHQTJVUHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033022
s1c2CCCc2nc1[C@@H](N)Cc1ccc(F)cc1	PC-id_83326218	262.346	WNNVXJHYQXXPGP-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-033023
s1c2CCCc2nc1C(N)c1c(ccc(F)c1)C	PC-id_83326219	262.346	YPCNABFTZJXOCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033024
s1c2CCCc2nc1C(N)c1c(cc(F)cc1)C	PC-id_62135329	262.346	UBACJECNKPGCMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033025
s1c2CCCc2nc1C(N)c1cc(F)c(cc1)C	PC-id_63648291	262.346	JXCDICFKXIANBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033026
s1c2CCCc2nc1C(N)c1c(F)c(ccc1)C	PC-id_83326220	262.346	BMICRQMMKRQVKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033027
s1c2CCCc2nc1C(NC)c1ccc(F)cc1	PC-id_61329984	262.346	NDNVDVOUKPXBDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033028
s1c2CCCc2nc1C(NC)c1cc(F)ccc1	PC-id_61330374	262.346	CZDIIUBJLLJPMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033029
s1c2CCCc2nc1C(NC)c1c(F)cccc1	PC-id_61332745	262.346	IMCOLYWOHUHBID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033030
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1CCCC1	EMOLS-id_330969779,MCULE-3598272180	262.347	HWUOOCLYFQJHJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033031
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1CCC1	MCULE-5417241569,EMOLS-id_330973369	262.347	JUAYFWYPIFYVRB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033032
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1(C)CC1	MCULE-7705436588,EMOLS-id_330976951	262.347	CETIPJOMJYMKPP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033033
c1(C(=O)OCC)c2CCCc2n(CC2CCCC2)n1	MCULE-1884406321,EMOLS-id_324388690	262.347	QYEKXCPUGFZPEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033034
c1(C(=O)OCC)c2CCCc2nn1CC1CCCC1	EMOLS-id_324388700,MCULE-3499861312	262.347	BAALLEDSAKWWTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033035
c1(C(=O)OCC)c2C(C)CCc2n(CC2CCC2)n1	EMOLS-id_330998006,MCULE-7059475093	262.347	BYBWBWJWKXMXHP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033036
c1(C(=O)OCC)c2C(C)CCc2nn1CC1CCC1	MCULE-9315626897,EMOLS-id_330984118	262.347	GMZLYFCUEGNMHG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033037
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1CC1	MCULE-8970862960,EMOLS-id_330980798	262.347	GNVCZDMSNLEUDT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033038
c1(C(=O)OC(C)(C)C)c2CCCc2n(CC2CC2)n1	EMOLS-id_324390738,MCULE-7918682070	262.347	GHRCPAFDXUGFPZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033039
c1(C(=O)OC(C)(C)C)c2CCCc2nn1CC1CC1	MCULE-1726701496,EMOLS-id_324390748	262.347	QGPILARRCJHMIY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033040
C1OCC(C1)N1CC[C@H](C1)OC1CCc2c1[nH]cc2	SCHEMBL14529659,PC-id_71193278	262.347	CKKNZKGFOKBBIB-ROKHWSDSSA-N	00000010100000000000100010000000000000000000000000000000	25-01-033041
CC(C1CCCOC1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986933,MCULE-3417023623	262.347	ZAPGSYVPKYHLMS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033042
CC(C1CCOCC1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986421,MCULE-9996100881	262.347	STWPNZJUDVKBDW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033043
CCOC(=O)c1[nH]nc2c1C[C@H]([C@H]2CCC1CC1)C	SCHEMBL13637954,PC-id_70956338	262.347	GKRLATSYKOESCL-MWLCHTKSSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033044
CN1CC(C(C1)(C)C)NC(=O)c1occ2c1CCC2	EMOLS-id_319692527	262.347	CDVQDSAULRSOAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033045
CN1CCCC(C1)N(C(=O)c1occ2c1CCC2)C	EMOLS-id_177273805	262.347	RTTLHCRJBOFSTB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033046
CN1CC(C)N(CC1C)C(=O)c1occ2c1CCC2	EMOLS-id_102375949	262.347	CRDDZXWDJBCLFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033047
CN1CCN(C(C1C)C)C(=O)c1occ2c1CCC2	EMOLS-id_102357492	262.347	HSFPHMSJJHKOEB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033048
CN1CCN(C(C1)(C)C)C(=O)c1occ2c1CCC2	EMOLS-id_102536541	262.347	RDQHFMBFZMYKLC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033049
CN1[C@H](C)CN(C[C@@H]1C)C(=O)c1occ2c1CCC2	EMOLS-id_102617370	262.347	NPEXJPUUDKIKFX-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033050
CN(C1(C)CCN(C1)C(=O)c1occ2c1CCC2)C	EMOLS-id_319068350	262.347	HLIWURBZFQRCJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033051
CN([C@@H]1CCC[C@H]1NC(=O)c1occ2c1CCC2)C	EMOLS-id_319826256	262.347	CSDLVJDDVDCAJQ-CHWSQXEVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033052
o1c2c(CCC2)c(c1C(C)C)C(=O)N1CCNCC1	PC-id_83610292	262.347	QQPQSXOZMPFSGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033053
o1c2c(CCC2)c(c1CCC)C(=O)N1CCNCC1	PC-id_83610364	262.347	GHVIRZLNGTUOCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033054
O=C1c2c(nn(c2CC1)CCO)CCC1CCCC1	PC-id_22732878,SCHEMBL6167721	262.347	JZTVECXAKBJQLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033055
OC1CCC(CC1)(C)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320004546,MCULE-7298439176	262.347	UNGAFXLBCSCTPN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033056
O(C1CN(C2CCOC2)CC1)C1CCc2c1[nH]cc2	PC-id_78025971	262.347	CKKNZKGFOKBBIB-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-033057
OC(=O)C1c2nc([nH]c2CC1)CCC1CCCCC1	PC-id_84010929	262.347	LIXHBGDICUJJDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033058
O(C(=O)c1n[nH]c2C(CCC3CC3)C(Cc12)C)CC	PC-id_77969359	262.347	GKRLATSYKOESCL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033059
S(=O)(=O)(C1=Cc2c(scc2)C1)c1ccccc1	PC-id_85829674	262.347	NXPJESJZQBXHCJ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-033060
S(=O)(=O)(C1=Cc2sccc2C1)c1ccccc1	PC-id_85829671	262.347	HWRFMSYPFKSGLX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-033061
CCS(=O)(=O)CCn1nc2c(c1O)CSC2	EMOLS-id_314378718	262.349	LGPBTASHJKPUAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033062
OCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978003	262.349	VXPVWYWEMGQGAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033063
OCC(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_105978046	262.349	KMFDNZXLLWDASH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033064
S(=O)(=O)(CCn1[nH]c2c(c1=O)CSC2)CC	PC-id_83195529	262.349	NSFPPGDHVIROLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033065
c1(c2CCCc2[nH]n1)C(=O)N(C)C1CCN(CC1)C	EMOLS-id_334703333,MCULE-5241566472	262.351	CWDWDYGAFRWFPE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033066
c1(C(=O)N2CCC(CC2)N(C)C)c2CCCc2[nH]n1	MCULE-7190480167,EMOLS-id_334756564	262.351	FGXRDIXANHETBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033067
c1(C(=O)N2CCN(CC2)CC)c2CCCc2n(C)n1	PC-id_110388993,MCULE-4889201801,EMOLS-id_179745046	262.351	SACBXIUDJZRFHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033068
c1(C(=O)N2CCN(CC2)C(C)C)c2CCCc2[nH]n1	MCULE-1691551465,EMOLS-id_334738399	262.351	ZVUYHGCTBIRSMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033069
c1(C(=O)N2CCN(CC2)CCC)c2CCCc2[nH]n1	MCULE-8101032533,EMOLS-id_334728919	262.351	DLLQCRUMDAUSSY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033070
c1(C(=O)NCC2CCCN2CC)c2CCCc2[nH]n1	PC-id_71701037,MCULE-7896579360,EMOLS-id_48566362,EMOLS-id_49401790,STOCK7S-42231	262.351	PQMVPYQZRGYUOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033071
c1(C(=O)NCC)c2CNCc2nn1CC1CCCC1	EMOLS-id_324355424,MCULE-7041761185	262.351	INKUNGFWGFVOTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033072
CC1CC(c2n1ncn2)NCC(C1CC1)(C1CC1)O	EMOLS-id_318937105	262.351	HYVGRCMWWOKAFM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033073
CC1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101435208	262.351	DXSDFMUNFUWSIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033074
CC1CCCCN1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320152590,MCULE-8224762770	262.351	QJQNMNRGOZRXEZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033075
CC1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101317312	262.351	BPKLHOFXUVUQLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033076
CC1CCN(C1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417148	262.351	OSKONCXFPCPAHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033077
CC1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101317315	262.351	UBPNMLDPLXKXRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033078
CC1CCN(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319012061	262.351	YLGDBJQQGSOIRG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033079
CC1C(C)NC(=O)C(N1Cc1cnn2c1CCC2)C	EMOLS-id_278257705	262.351	CRBPZASDOPPJTH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033080
CC1CN(CC1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417079	262.351	KOKOECBBHSKZIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033081
Cc1nc(c2n1C(=O)N(C2)CCC1CCNCC1)C	PC-id_23138196,SCHEMBL3447630	262.351	LGHXUBRWQJUGDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033082
CCC1(CCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579109	262.351	BCDUFXMFBBLIID-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033083
CCC1CCC(CC1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318926849	262.351	YCSBJSRIQZTHGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033084
CC(C1CCCCN1C(=O)c1n[nH]c2c1CCC2)N	PC-id_119434632,EMOLS-id_301580577,MCULE-2052943171	262.351	GNFAPOSMPXXFOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033085
CCC1(CC)CN(C1)C(=O)NC1CCn2c1ncc2	MCULE-1438110426,EMOLS-id_316918388,PC-id_145878410	262.351	YHJPPYSSAXNBPD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033086
CCC1CCCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319268918	262.351	PVLJQKWKBUOXQL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033087
CCC1(CC)CN(C(=O)N[C@@H]2CCn3ccnc23)C1	ZINC22_1615052285	262.351	YHJPPYSSAXNBPD-LLVKDONJSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033088
CCC1(CC)CN(C(=O)N[C@H]2CCn3ccnc23)C1	ZINC22_1615052286	262.351	YHJPPYSSAXNBPD-NSHDSACASA-N	00001010100000000001000010000000000000000000000000000000	25-01-033089
CC(C1CCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101577015	262.351	PIZZENMXDMMBSH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033090
CCC1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418666	262.351	WGLHWYIZMAZAFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033091
CCC1(C)CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574717	262.351	AQMINRDLMXRFIR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033092
CCC1(CNC(=O)NC2CC(n3c2ncc3)C)CC1	EMOLS-id_101369431	262.351	HXIKIYBLSBLKAC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033093
CC(CC1CCN(C1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319877649	262.351	DXJQSFQMOWGZGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033094
CC(C)(C)C1CN(C(=O)N[C@@H]2CCn3ccnc23)C1	ZINC22_1615052092	262.351	FVPWVFVWTKSZMS-LLVKDONJSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033095
CC(C)(C)C1CN(C(=O)N[C@H]2CCn3ccnc23)C1	ZINC22_1615052094	262.351	FVPWVFVWTKSZMS-NSHDSACASA-N	00001010100000000001000010000000000000000000000000000000	25-01-033096
CC[C@@H]1C[C@H]1CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101415099	262.351	ZNOJGGGQAZSTQF-UPOSSJBDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033097
CCCN1CCCC(C1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_258086350,MCULE-4004044237	262.351	ZPHDIEMHBLGLNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033098
CCCN(C(=O)NC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_101577012	262.351	GSOGCHBFTWMNLZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033099
C[C@H]1CC[C@@H](CNC(=O)c2cn3c(n2)CCC3)N1C	EMOLS-id_316951046,ZINC22_1615622353,MCULE-1781723440	262.351	JEHPNWVXHYOYRK-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033100
C[C@@H]1NCC[C@@H](C1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_120639223	262.351	YKXQLXTWISRWSK-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033101
C[C@H](NC(=O)C1CCCCC1)c1nnc2n1CCC2	ZINC22_72280308	262.351	XCVYOEVNCAJUHZ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-033102
C[C@@H](NC(=O)C1CCCCC1)c1nnc2n1CCC2	ZINC22_72280309	262.351	XCVYOEVNCAJUHZ-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033103
CCN1CCC(C1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_316914343,MCULE-8614615973	262.351	MWKOIQRFLOUTGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033104
CCN1CC(CC1=O)NC(c1nn2c(c1)CCC2)C	EMOLS-id_101848240,MCULE-5162736381	262.351	WMTRQLQITOJZLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033105
CC(N1CCCC(C1)C(=O)N1Cc2c(C1)cn[nH]2)C	MCULE-4722458958,EMOLS-id_320186932	262.351	NXLPMJVCGXPGDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033106
CCN1CCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2	ZINC22_95472583,PC-id_97263547	262.351	PQMVPYQZRGYUOI-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033107
CCN1CCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2	ZINC22_95472584,PC-id_97263548	262.351	PQMVPYQZRGYUOI-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-033108
CCN1CCC[C@@H](C1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_320021159,MCULE-7757161939	262.351	XTUZMINHYWQHIA-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-033109
CCN1CCC[C@@H](C1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318912733	262.351	GOSJIJOFXYXEBA-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-033110
CCN1CCC[C@@H](C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318825346	262.351	GVDYYRXGYVIGAO-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-033111
CCN1CCC[C@@H](C1)NC(=O)c1n[nH]c2c1CCC2	MCULE-9749140236,EMOLS-id_319930241	262.351	NAYCDINIZYBKJI-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-033112
CCN1CC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1	ZINC22_521878114	262.351	MWKOIQRFLOUTGC-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033113
CCN1CC[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1	ZINC22_521878115	262.351	MWKOIQRFLOUTGC-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-033114
CCN1C[C@H](N[C@H](C)c2cc3n(n2)CCC3)CC1=O	ZINC22_333948646	262.351	WMTRQLQITOJZLA-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033115
CCN1C[C@@H](N[C@H](C)c2cc3n(n2)CCC3)CC1=O	ZINC22_333948647	262.351	WMTRQLQITOJZLA-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-033116
CCN1C[C@@H](N[C@@H](C)c2cc3n(n2)CCC3)CC1=O	ZINC22_333948648	262.351	WMTRQLQITOJZLA-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033117
CCN1C[C@H](N[C@@H](C)c2cc3n(n2)CCC3)CC1=O	ZINC22_333948649	262.351	WMTRQLQITOJZLA-WDEREUQCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033118
CC(N(C(=O)NC1CC(n2c1ncc2)C)C1CC1)C	EMOLS-id_101577168	262.351	BHSJUWWSKYBGQE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033119
CCN(C(=O)NC1CC(n2c1ncc2)C)CC1CC1	EMOLS-id_101576928	262.351	OPSDTCPUOKANHE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033120
CN1CC(C(C1)(C)C)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_318891703	262.351	MCTCNJZBLMDTKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033121
CN1CC(C(C1)(C)C)NC(=O)c1cnc2n1CCC2	EMOLS-id_320162082,MCULE-2540134112	262.351	GPMXNHKEKWCRNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033122
CN1CC(C(C1)(C)C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_320223067,MCULE-4320346293	262.351	WANOHZQPPSIIKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033123
CN1CC(C(C1)(C)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319669126	262.351	DGACSIAXGLBUMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033124
CN1CCC(CC1)(C)C(=O)NC1CCn2c1ncc2	EMOLS-id_318911730	262.351	MRMMEKGOPFVQDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033125
CN1CCC(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_316565590	262.351	MXLOGGLJAZEJBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033126
CN1CCCC(C1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319128543	262.351	JKNWDRODCUFKEL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033127
CN1CCCCC1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320187061,MCULE-6945443335	262.351	GOZDFWBMVYZPCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033128
CN1CCCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318876961	262.351	KRVQBTDFUQKNMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033129
CN1CCCCC1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319810636	262.351	QJLZYNVBUZFECI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033130
CN1CCCC[C@H]1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319815237	262.351	LANSSTIGKGOKNJ-MCIGGMRASA-N	00000010100010000001000010000000000000000000000000000000	25-01-033131
CN1CC(C)N(CC1C)C(=O)c1cnn2c1CCC2	EMOLS-id_102852689	262.351	VXCWOVOPPUMWOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033132
CN1CC(C)N(CC1C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102852668	262.351	NTPUUXJBBVVLIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033133
CN1CC(C)N(CC1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102331642	262.351	RXWDJZVMOPNDOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033134
CN1CCN(C(C1)(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_102778902	262.351	RTTSKHRESSGYJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033135
CN1CCN(C(C1C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_102831141	262.351	YBXXNBUMUNRORT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033136
CN1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102778893	262.351	WIKGWFMEKYAWKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033137
CN1CCN(C(C1C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102831150	262.351	DHHKDHUGISSRMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033138
CN1CCN(C(C1C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102266669	262.351	RBBNLKMENKYYSR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033139
CN1CCN(C(C1)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102332723	262.351	FODLHEQOCNUBBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033140
CN1[C@H](C)CN(C[C@@H]1C)C(=O)c1cnn2c1CCC2	EMOLS-id_102860874	262.351	NUZMOVSIZDQLJD-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033141
CN1[C@H](C)CN(C[C@@H]1C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102860883	262.351	AWHHJEGPJBMZHT-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033142
CN1[C@H](C)CN(C[C@@H]1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102308102	262.351	ZCENMXJTRRIKKI-AOOOYVTPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033143
CN(C1(C)CCN(C1)C(=O)c1cn2c(n1)CCC2)C	EMOLS-id_319884977,MCULE-4435506407	262.351	XDKYOGCIOMWVDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033144
CN(C1(C)CCN(C1)C(=O)c1cnc2n1CCC2)C	EMOLS-id_319748610	262.351	TVPOXGKJUQPPOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033145
CN(C1(C)CCN(C1)C(=O)c1cnn2c1CCC2)C	MCULE-5748727210,EMOLS-id_320025884	262.351	GIXMVDZJYGLNJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033146
CN(CC12COC(C1)(C2)C)Cc1nnc2n1CCC2	EMOLS-id_318925666	262.351	MEFFVEOOIHDVKZ-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-033147
CN(CC1(CC1)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_316636832	262.351	YPZUWADREUWDHI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033148
CNCC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_301475200,PC-id_119394980,MCULE-2551902312	262.351	DMRBNEYTSWWTAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033149
O=C(C1NCc2c1c[nH]n2)NCCC1CCCCC1	EMOLS-id_318926308	262.351	HQWFOTLRZPRHDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033172
CNCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_119542835,EMOLS-id_301693244,MCULE-1031455265	262.351	DABZKPXAPRCWSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033150
CN(Cc1nnc2n1CCC2)C(=O)C1CCCCC1	PC-id_53500162,EMOLS-id_35688612,ZINC22_65396360,CHEMBL4561718,MCULE-5940799766	262.351	TZKWYYRBJVQIEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033151
CNC[C@@H]1CCCCN1C(=O)c1cn2c(n1)CCC2	EMOLS-id_319265922	262.351	VJROXPAIIDBCLH-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-033152
CNC[C@@H]1CCCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_319282783	262.351	VDCBZDCVWQFEDS-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-033153
CNC[C@H]1CCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316684727	262.351	XQAFKIMSGALWBU-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033154
CN([C@@H]1CCC[C@H]1NC(=O)c1cnc2n1CCC2)C	EMOLS-id_319321513	262.351	AFFGCYFZNKPLJD-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033155
CN([C@@H]1CCC[C@H]1NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_319377093	262.351	GVJNBBLFUWICJH-DGCLKSJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033156
CN(C(=O)c1c2c(nn1C)CCC2)C1CCNCC1	MCULE-1450183111,ZINC22_911691827,EMOLS-id_317055499	262.351	DQPXFUSDNPLFMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033157
CN(C(=O)NCc1n[nH]c2c1CCC2)C1CCCC1	EMOLS-id_319077262	262.351	GVCZHMRPPNUIBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033158
NC1CCCC(C1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_119822838	262.351	SPBCJQORCJGTSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033159
NC1CCN(CC1(C)C)C(=O)c1n[nH]c2c1CCC2	PC-id_120817610	262.351	XDCGWOKXSXMFSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033160
NCC1CCCCC1NC(=O)c1n[nH]c2c1CCC2	MCULE-5862498736,PC-id_119609374,EMOLS-id_301728641	262.351	ZVENZNIPGOQLJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033161
NCC1CC(C)CCN1C(=O)c1n[nH]c2c1CCC2	PC-id_121814598	262.351	USFZJDKYLWTSDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033162
NC[C@H]1CCC[C@H]1C(=O)Nc1n(C)nc2c1CCC2	PC-id_121793895	262.351	IFDUMGLJLNESCI-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033163
NC[C@@H](CC1CCCC1)C(=O)N1Cc2c[nH]nc2C1	ZINC22_1875271932	262.351	BPEXPRAJYJKYSZ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033164
NC[C@H](CC1CCCC1)C(=O)N1Cc2c[nH]nc2C1	ZINC22_1875271933	262.351	BPEXPRAJYJKYSZ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-033165
NC(=O)[C@@H]1CCC[C@H](NCc2cnn3c2CCC3)C1	ZINC22_657370255	262.351	DHFBAMHWAMOTEX-PWSUYJOCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033166
O=C(C1CCc2n1c(nn2)C(C)(C)C)N1CCCC1	PC-id_118740464	262.351	GNJXFIWPLOUCSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033167
O=C(C1CCCCC1)NC(c1nnc2n1CCC2)C	MCULE-7296077805,EMOLS-id_45744275,PC-id_47019675	262.351	XCVYOEVNCAJUHZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033168
O=C(C1NCc2c1c[nH]n2)N1CCCCC(C1)(C)C	EMOLS-id_320339544,MCULE-7271806058	262.351	UOGAZSSJPRQBHD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033169
O=C(C1NCc2c1c[nH]n2)NC1CCCCCCC1	EMOLS-id_318870332	262.351	PEOPNYVLMPVETQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033170
O=C(C1NCc2c1c[nH]n2)N(CC1CCCCC1)C	EMOLS-id_319535904	262.351	WABUKHFYNBSRJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033171
O=C([C@@H]1CCN([C@@H](C1)C)C)NC1CCn2c1cnc2	EMOLS-id_318948879	262.351	WFBRNYVJXYPGBD-XFKKCKKNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033173
O=C([C@@H]1CCN([C@@H](C1)C)C)NC1CCn2c1ncc2	EMOLS-id_319675589	262.351	CSDVBVGPILWVPX-XFKKCKKNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033174
O=C(CN1CCn2ccnc12)NC1CCCCCC1	PC-id_146139312,ZINC22_931529667	262.351	TVDAVQIMYYAHCO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033175
O=C(CN(C1CCC1)C)NCc1cnc2n1CCC2	EMOLS-id_319415262	262.351	ONTHOIKPYOSECO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033176
O=C(CN(C1CCC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319053225	262.351	FWIQYHWDFKACOW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033177
O=C(N1Cc2c(C1)c(n[nH]2)C(C)C)N1CCCCC1	SCHEMBL17229872,PC-id_118489389	262.351	IZQFWRRMVBLCQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033178
O=C(N1CC(C1)C(C)(C)C)NC1CCn2c1ncc2	MCULE-8134135788,EMOLS-id_316918132	262.351	FVPWVFVWTKSZMS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033179
O=C(N1CCCC1(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101421753	262.351	YIIXMPFBPIDDCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033180
O=C(N1CCC(C1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101579151	262.351	QXLWSUWAPHUAAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033181
O=C(N1CCCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101581161	262.351	ROKATZGYAUAASI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033182
O=C(N1CCn2c1ccn2)C1CCCN(C1)C(C)C	EMOLS-id_319225299	262.351	XZMZQTPSFXORJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033183
O=C(NC1(CC1)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101574705	262.351	FFJDUTLLMBKEFD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033184
O=C(N(C1CCCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101317306	262.351	ICLLXOKOSRTSRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033185
O=C(NC1CC(n2c1ncc2)C)NC1CCCC1C	EMOLS-id_101391619	262.351	RFPJESRRECFQCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033186
O=C(NC1CC(n2c1ncc2)C)NC1CCCCC1	EMOLS-id_101538783	262.351	XOBIOFGWKZNOSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033187
O=C(NC1CC(n2c1ncc2)C)NCC1CC1(C)C	EMOLS-id_101396362	262.351	FSCIPOKRHUYJCU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033188
O=C(NC1CC(n2c1ncc2)C)NCC1CCCC1	EMOLS-id_101388970	262.351	VBISIRAZIMKNBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033189
O=C(NC1CC(n2c1ncc2)C)NCCC1(C)CC1	EMOLS-id_101376967	262.351	BZAWVQOPYMUYQZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033190
O=C(NC1CC(n2c1ncc2)C)N[C@@H]1C[C@H]1C(C)C	EMOLS-id_101572776	262.351	CKKVUIQHFAWLAL-LVFLEHKBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033191
O=C(Nc1n(C)nc2c1CCC2)CCC1CNCC1	EMOLS-id_302210425,MCULE-8930567524,PC-id_120077080	262.351	UPCKELBRANXCNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033192
O=C(Nc1n(C)nc2c1CCC2)C[C@@H]1CCC[C@H]1N	PC-id_121793897	262.351	CTGHCRGDJNCSAQ-GXSJLCMTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033193
O=C(N(CCC1CC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101418768	262.351	XZMIXOOZRMSAFH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033194
S(C1C[n+]2n(C1)cnc2)Cc1ccc(OC)cc1	PC-id_10402388	262.351	FDWFIFPTOGRUJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033195
CC1CCCN(C1)C(=NCc1nnc2n1CCC2)N	PC-id_111039259	262.354	MWLZTUWNGKNGGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033196
CC1CCN(CC1)C(=NCc1nnc2n1CCC2)N	PC-id_110919692	262.354	CEKUVBHGLOGATG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033197
CCNC(=NCc1nnc2n1CCC2)N1CCCC1	PC-id_110956652	262.354	NHYOVTGZMFNWRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033198
CCNC(=NCc1nnc2n1CCC2)NC1CC1C	PC-id_111020493	262.354	DFXHXXJSYIFLPI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033199
CCNC(=NCc1nnc2n1CCC2)NCC1CC1	PC-id_111020587	262.354	IPDUCQSOUGSTDX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033200
CN=C(NC1CCCC1)NCc1nnc2n1CCC2	PC-id_110992491	262.354	IJPBMOBLTQAKKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033201
CN=C(NCc1nnc2n1CCC2)NCC1CCC1	PC-id_119117066	262.354	WPDPKZRZTSXCIA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033202
N(C1CC1)/C(=N/Cc1n2CCCc2nn1)/NC(C)C	PC-id_75420787	262.354	LTNLMFBJSSTTTI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033203
NC(=NCc1nnc2n1CCC2)N1CCCCCC1	PC-id_112288448	262.354	DMWWOQSWWLEWJY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033204
NC(=NCc1nnc2n1CCC2)NC1CCCCC1	PC-id_111039231	262.354	KYTLTNFAFFIYSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033205
c1(NC(=O)CC(C)(C)C)sc2c(CCC2)c1C#N	CoCoCo_6815457,ZINC22_4180761,PC-id_4293939,MCULE-1144947259,TIMTEC302609,EMOLS-id_3972981	262.371	MBJGNLDRYQCZFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033206
c1(NC(=O)CCCCC)sc2c(CCC2)c1C#N	PC-id_4511574,ZINC22_5859916,MCULE-9054253383,TIMTEC220251	262.371	INLVWVWIFCBLMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033207
c1(NC(=O)C(CC)CC)sc2c(CCC2)c1C#N	ZINC22_16990384,CoCoCo_6452897,EMOLS-id_3972995,PC-id_17379286,MCULE-5185804570,TIMTEC277287	262.371	KYXPLJQKKIPUMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033208
Cc1cc(n(n1)C)CC(c1sc2c(c1)CCC2)O	PC-id_115811387	262.371	RSQDMVGEJSBVFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033209
Cc1oc(nc1C)CNCc1sc2c(c1)CCC2	PC-id_61207046,EMOLS-id_314097861	262.371	OIXDZTBECSOUNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033210
Cc1onc(c1CNCc1sc2c(c1)CCC2)C	EMOLS-id_314513184,PC-id_61208749	262.371	FHSAQUVSLYDGAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033211
CC(=C1CNC1)C(=O)NCc1sc2c(c1)CCC2	PC-id_113550944,EMOLS-id_315998824	262.371	XVXUREGFWOGYQH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-033212
C/C=C/C=C/C(=O)NCCc1nc2CCCc2s1	PC-id_110461232,EMOLS-id_181140421	262.371	VXSYDTYARILDIA-CRBCFSCISA-N	00000010100000000001000010000000000000000000000000000000	25-01-033213
CCCn1ncc(c1)C(c1sc2c(c1)CCC2)O	PC-id_114981469	262.371	MZIJZNKMTDNXPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033214
CCCn1nccc1C(c1sc2c(c1)CCC2)O	PC-id_115798529	262.371	IXPUSPNGQDTHRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033215
CCC(NC(=O)c1sc2c(c1)CCC2)(C#N)CC	EMOLS-id_314084788,PC-id_61120797	262.371	FWFDDUPOFDKMRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033216
C#CCNC(=O)C(NCc1sc2c(c1)CCC2)C	EMOLS-id_314546001,PC-id_61207610	262.371	LLHYGNUGHUKARP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033217
CCn1ccnc1CC(c1sc2c(c1)CCC2)O	PC-id_115819149	262.371	HGJHWGXUFADRGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033218
CC(n1nccc1C(c1sc2c(c1)CCC2)O)C	PC-id_114198075	262.371	PHZLJSNUDILNES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033219
CCn1ncc(c1)CC(c1sc2c(c1)CCC2)O	PC-id_113658897	262.371	VTGYVCAYCYKQIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033220
Cn1ncc(c1)CCC(c1sc2c(c1)CCC2)O	PC-id_103027824	262.371	SSSCXTRDQFOBMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033221
n1c2CCCc2sc1CCNC(=O)C=CC=CC	MCULE-5872868283	262.371	VXSYDTYARILDIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033222
N#CCCN(C(=O)c1sc2c(c1)CCC2)C(C)C	EMOLS-id_315212131,PC-id_54996784	262.371	JVBLWPWMBQADNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033223
N#CC(CN(C(=O)c1sc2c(c1)CCC2)CC)C	PC-id_54979049,EMOLS-id_315200355	262.371	FDMYCQVMTPFKQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033224
OC(c1sc2c(c1)CCC2)CCc1ccnn1C	PC-id_103028006	262.371	KUJATVQRLFKIBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033225
OC(c1sc2c(c1)CCC2)CCc1nccn1C	PC-id_115837962	262.371	RRYGAYGREMMTNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033226
O=C(c1sc2c(c1)CCC2)NCC1=CCNCC1	PC-id_114693556,EMOLS-id_302312535,MCULE-5212258358	262.371	XSODJLLDSRHRQX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-033227
s1c2c(CCC2)cc1CNC(=O)C1CC(N)C=C1	PC-id_79207980	262.371	LDURAQCPUSPJKV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-033228
s1c2c(CCC2)cc1C(O)c1n(CCC)ccn1	PC-id_61315919	262.371	RSLFTOVOTPLCSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033229
s1c2CCCc2cc1C(=O)NN=C1CCCCC1	PC-id_9462486	262.371	WUQLKKVUGSNOEY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033230
Cc1nc(c(s1)CNC1CC(n2c1ncc2)C)C	MCULE-6817799619,EMOLS-id_317965389	262.374	MSCABHUAIPMYHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033231
Cc1ncsc1CN[C@H](C)c1cc2n(n1)CCC2	ZINC22_585135053	262.374	VRBATNTUEJFVOT-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033232
Cc1ncsc1CN[C@@H](C)c1cc2n(n1)CCC2	ZINC22_585135054	262.374	VRBATNTUEJFVOT-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-033233
Cc1nnc(n1C)CNCc1sc2c(c1)CCC2	PC-id_61206868,EMOLS-id_315207217	262.374	WKMRJLKJRHXCDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033234
CC(c1nn2c(c1)CCC2)NCc1scnc1C	MCULE-1744961947,EMOLS-id_177293283	262.374	VRBATNTUEJFVOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033235
CCc1nn(cc1C(c1sc2c(n1)CCC2)N)C	PC-id_112670266	262.374	LULUQHRXNGNRID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033236
CCCn1ncc(c1)C(c1sc2c(n1)CCC2)N	PC-id_103572482	262.374	SPBWXIGYMFKBMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033237
CCCn1ncnc1C(c1sc2c(c1)CCC2)N	PC-id_112744752	262.374	YRZIWTBQAAUPOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033238
CCCn1nncc1C(c1sc2c(c1)CCC2)N	PC-id_105038550	262.374	LBAPVSNEJBEAOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033239
CCn1ccnc1C(c1sc2c(c1)CCC2)NN	PC-id_105308444	262.374	ZMZPLUDKXPDHNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033240
CCn1ncc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105289805	262.374	XWXWORNTEROAIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033241
CCn1nccc1C(c1sc2c(c1)CCC2)NN	PC-id_105307192	262.374	COBIDXTYPHDFPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033242
CCn1ncc(c1)C(c1sc2c(n1)CCC2)NC	PC-id_103570181	262.374	ILOPPSYOGZRYBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033243
CC(n1ncc(c1)C(c1sc2c(n1)CCC2)N)C	PC-id_114075842	262.374	ZGBJJHIZSFBBGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033244
CCn1ncnc1CC(c1sc2c(c1)CCC2)N	PC-id_105001892	262.374	CWGIUUYCFWDUGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033245
CCn1ncnc1CNCc1sc2c(c1)CCC2	EMOLS-id_315324566,PC-id_65608009	262.374	RDWAVGCAFDHSIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033246
CCNC(c1cnnn1C)c1sc2c(c1)CCC2	PC-id_113674140	262.374	ZPPZQRREQOWVAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033247
CNC(c1sc2c(c1)CCC2)Cc1ncnn1C	PC-id_104997488	262.374	LCOYMZVVPMHEHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033248
CNC(c1sc2c(c1)CCC2)Cc1nnn(c1)C	PC-id_107064216	262.374	OYZAEPFAJVRWCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033249
N#CC1CCC(C1)NCCc1cn2c(n1)SCC2	EMOLS-id_101085043	262.374	JOEPDBWLYMZSDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033250
NNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C	PC-id_105329512	262.374	CLVLMHZMQSOSKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033251
NNC(c1sc2c(c1)CCC2)Cc1cnn(c1)C	PC-id_105291119	262.374	AKELFSIQDNGRIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033252
NNC(c1sc2c(c1)CCC2)Cc1nccn1C	PC-id_105322914	262.374	QRDBOEFWSXCMAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033253
s1c2CCCc2nc1C(N)c1c(n(nc1C)C)C	PC-id_61330304	262.374	NDIOMACYPIJCDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033254
s1c2CCCc2nc1C(N)c1n(CCC)cnc1	PC-id_66131232	262.374	XQFAZRZJDJDZGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033255
s1c2CCCc2nc1C(N)c1n(C(C)C)cnc1	PC-id_66163828	262.374	MUMQTQUPBMNNLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033256
s1c2CCCc2nc1C(NC)c1c(n(nc1)C)C	PC-id_79583908	262.374	GULXIXPFTZINPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033257
s1c2CCCc2nc1C(NC)c1c(nn(c1)C)C	PC-id_83090209	262.374	IOAVIQIVTRRXGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033258
s1c2CCCc2nc1C(NC)c1n(CC)cnc1	PC-id_66135148	262.374	NFBZADORHVJJND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033259
s1c2CCCc2nc1C(NCC)c1cn(nc1)C	PC-id_61332009	262.374	NBWKGTHEDHJUPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033260
s1c2CCCc2nc1C(NCC)c1n(cnc1)C	PC-id_66118606	262.374	RJJJGYVZCXOYOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033261
s1cc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_62089474	262.374	URRLIMCRSVYBJX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033262
s1c(CNC(c2n3CCCc3nn2)C)ccc1C	PC-id_43433198	262.374	GYNQPIOWJAHKPJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033263
s1c(CNC(c2n3CCCc3nn2)C)c(cc1)C	PC-id_43433200	262.374	UVOGOEQUMBJHCE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033264
s1c(C(NC(c2n3CCCc3nn2)C)C)ccc1	PC-id_43748139	262.374	VOTLVXVQGNMUAK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033265
Cc1cc(c(s1)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37654541,PC-id_43463250	262.39	XCFUHOYXVKQOMR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033266
Cc1sc(c(c1)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_315595614,PC-id_81155852	262.39	OEKBOJAIFQYFSE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033267
CC(C1CCCCC1)n1nc2CCC(C)c2c1CO	MCULE-5303289427,EMOLS-id_330990267	262.39	GTGYFJGQXBOWTD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033268
CCc1ccc(s1)C(=O)c1sc2c(c1)CCC2	PC-id_43463060,EMOLS-id_37654413	262.39	XPPKOJXUSFWYSD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033269
CCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N	PC-id_12369142,SCHEMBL11609501	262.39	INCRYIDJWMKLLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033270
CC(n1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N)C	PC-id_12369144,SCHEMBL11609382	262.39	XAMRLPDBUZOPLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033271
O=C(c1sc2c(c1)CCC2)CCc1cccs1	PC-id_114973275	262.39	VJTABLIFVAXSHZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033272
O=C(c1sc2c(c1)CCC2)CCc1ccsc1	PC-id_114972204	262.39	VQCODMPKBAAYRM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033273
CC1CC(CC1NC(c1nnc2n1CCC2)C)(C)C	PC-id_106662214	262.394	LVBVQRZAYDWCTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033274
CC1CC(CC1NCCc1nnc2n1CCC2)(C)C	EMOLS-id_76042618,PC-id_121578605,MCULE-2408344931	262.394	BPMMNLWUROOJOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033275
CC1(C)CC(NC2CCn3c2ncc3)CC(N1)(C)C	EMOLS-id_102553764	262.394	SJHDXEQZCDPDAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033276
CC(c1cc2n(n1)CCC2)NCC1(N)CCCCC1	EMOLS-id_102112896	262.394	VYQICGQSBNMNSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033277
CC(CN1CCCCC1)NCc1n[nH]c2c1CCC2	PC-id_104407177	262.394	XCSXWLWCZJPERS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033278
CC(C)n1nc(CN2CCCCC2)c2c1CN(C)C2	PC-id_97519256,ZINC22_96259169,EMOLS-id_44369884	262.394	CHSMSGVGBBJQPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033279
C[C@@H]1CC(C)(C)C[C@@H]1NCCc1nnc2n1CCC2	ZINC22_239667216	262.394	BPMMNLWUROOJOQ-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033280
C[C@H]1CC(C)(C)C[C@H]1NCCc1nnc2n1CCC2	ZINC22_239667217	262.394	BPMMNLWUROOJOQ-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033281
C[C@H]1CC(C)(C)C[C@@H]1NCCc1nnc2n1CCC2	ZINC22_239667218	262.394	BPMMNLWUROOJOQ-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033282
C[C@@H]1CC(C)(C)C[C@H]1NCCc1nnc2n1CCC2	ZINC22_239667219	262.394	BPMMNLWUROOJOQ-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033283
CN(CC1(CCCC1)CNC1CCn2c1ncc2)C	EMOLS-id_318239197	262.394	AARCQUICNIADKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033284
C(NCc1n[nH]c2c1CCC2)CCN1CCCCC1	PC-id_104433590	262.394	AWEIVJJIMZXHDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033285
n12CCCc1nnc2C(NCCC1CCCCC1)C	PC-id_80399591	262.394	BFCQPEUNFKLGPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033286
N(C1CCC(CC1)CC)C(c1n2CCCc2nn1)C	PC-id_43748070	262.394	YMIHTJIASJDMDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033287
N(C1C(CCCC1C)C)C(c1n2CCCc2nn1)C	PC-id_43748079	262.394	TXDPRIABKJKDGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033288
N(C1CC(CCC1)CC)C(c1n2CCCc2nn1)C	PC-id_64245553	262.394	CUZYKIOIFXNVCX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033289
N(C1C(CCCC1)CC)C(c1n2CCCc2nn1)C	PC-id_64253949	262.394	BOSDLAQNQCOTTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033290
N(C1CCC(CC1)(C)C)C(c1n2CCCc2nn1)C	PC-id_64417147	262.394	XDRVFWAQCWXLLV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033291
N(C1CC(CCC1)(C)C)C(c1n2CCCc2nn1)C	PC-id_64468696	262.394	RRUSARVUWFCJNL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033292
N(C1CC(C(CC1)C)C)C(c1n2CCCc2nn1)C	PC-id_64746396	262.394	VLGLTWVWUCKWDN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033293
N(C1CC(CC(C1)C)C)C(c1n2CCCc2nn1)C	PC-id_64751407	262.394	VNVGDUCRMCFQQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033294
N(C1C(C(CCC1)C)C)C(c1n2CCCc2nn1)C	PC-id_64760468	262.394	HBMQOASIRYAGMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033295
N(C1C(CC(CC1)C)C)C(c1n2CCCc2nn1)C	PC-id_64760469	262.394	NUJQHOQBSPLFEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033296
N(C1C(CCC(C1)C)C)C(c1n2CCCc2nn1)C	PC-id_64760470	262.394	FZUQPSGTONFJDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033297
N(C1C(CCCC1)(C)C)C(c1n2CCCc2nn1)C	PC-id_79835669	262.394	HXFIXWVEWNFMHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033298
N(C1CCC(CCC1)C)C(c1n2CCCc2nn1)C	PC-id_65079971	262.394	GJFDAIGXKDNVLI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033299
N(C1CCCCCCC1)C(c1n2CCCc2nn1)C	PC-id_43748069	262.394	YDDGSVIINYVQPY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033300
N(C(C1CCCCC1)C)C(c1n2CCCc2nn1)C	PC-id_43791502	262.394	UPHQIYSOTAVNRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033301
N(CC1CCC(CC1)C)C(c1n2CCCc2nn1)C	PC-id_65912841	262.394	WAHVKSUAUABLGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033302
N(CC1CC(CCC1)C)C(c1n2CCCc2nn1)C	PC-id_65922229	262.394	CIOZUTKUEOXVSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033303
NCC1CCCCC1NC(c1cc2n(n1)CCC2)C	EMOLS-id_102105695	262.394	GRBZMCDVKGXOIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033304
N(CC1CCCCCC1)C(c1n2CCCc2nn1)C	PC-id_65909934	262.394	MRHWFCPPFSRJHG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033305
NCC(C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_102103544	262.394	BUFXURKXTIDZCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033306
NC[C@@H]1CC[C@H](CC1)CNC1CC(n2c1ncc2)C	EMOLS-id_102120520	262.394	MECXMVQTIUMVBF-AEBJDNRDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033307
CC1CC(CCC1C)C(=O)c1sc2c(c1)CCC2	PC-id_114975492	262.41	NXDLYBOXWSHAGY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033308
CC1CC(C)CC(C1)C(=O)c1sc2c(c1)CCC2	PC-id_113657659	262.41	IHILWTOIZKEFMT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033309
CCC1CCC(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_113657779	262.41	NBLBFBVOMWOFKR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033310
CCC1CCCC(C1)C(=O)c1sc2c(c1)CCC2	PC-id_113657836	262.41	IJXZMUSARSSYJV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033311
CCC1CCCCC1C(=O)c1sc2c(c1)CCC2	PC-id_114973783	262.41	BQLUBAHMSZZEAP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033312
OC(c1sc2c(c1)CCC2)C1=CCCCCCC1	PC-id_106657596	262.41	JHVXZEHOSWSBIP-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-033313
O=C(c1sc2c(c1)CCC2)CCC1CCCCC1	PC-id_114192876	262.41	USHANYURHKBGBW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033314
s1c2C(C(C(=O)c2cc1C)C)C=C(C(C)(C)C)C	PC-id_74946587	262.41	MEGNJPVUXCVYLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033315
s1c2[C@H]([C@@H](C(=O)c2cc1C)C)/C=C(/C(C)(C)C)C	PC-id_44191830	262.41	MEGNJPVUXCVYLL-JONLBCGYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033316
CC(c1sc2c(n1)CCC2)(NC1CC1)CC1CC1	PC-id_116224334	262.414	OQPIXSVXAWYTOO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033317
N#CCCC(CNCc1sc2c(c1)CCC2)(C)C	PC-id_113243111,EMOLS-id_315925631	262.414	YCXRWIVRACIFKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033318
N#CC(CCCNCc1sc2c(c1)CCC2)(C)C	PC-id_65254193,EMOLS-id_314640928	262.414	CGCJXGREZBZKIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033319
NNC(c1sc2c(c1)CCC2)C1=CCCCCC1	PC-id_106650206	262.414	UOAXOGIXCKPSLV-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-033320
s1c(CNC2CN(C3CC3)CC2)cc2c1CCC2	PC-id_55139653	262.414	GAHIHIMQQWTMQV-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-033321
s1c(nc2c1CCC2)C(NC1CC1)(C1CC1)CC	PC-id_64918690	262.414	DSSPASZIHWPHDC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033322
s1c(nc2c1CCC2)C(NC1CC1)(C1(CC1)C)C	PC-id_80290088	262.414	BLANFWSXFIHLRA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033323
s1c(nc2c1CCC2)C(NC1CC1)C1CCCC1	PC-id_55035334	262.414	WQEXIOKLSAZYKH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033324
CC(N1C(c2c(C1C(C)(C)C)cc[nH]2)C(C)(C)C)C	PC-id_59616826,SCHEMBL13012540	262.433	YLBIGIFYBMIVCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033325
c1(C(=O)Nc2cccc(Cl)c2)c2CCCc2on1	MCULE-6894280291,BindingDB_PC-id_5075788,EMOLS-id_2593862,TIMTEC567625,ZINC22_426286,PC-id_5075788	262.692	YEYBSOOLSUEJAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033326
Clc1ccc(C(=O)Nc2onc3CCCc23)cc1	PC-id_16942271	262.692	ASSZWEIQQDLCRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033327
Clc1cc(C(=O)Nc2onc3CCCc23)ccc1	PC-id_16942272	262.692	WCALTXANUPZXPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033328
c1(C(=O)Nc2ccc(cn2)Cl)c2CCCc2[nH]n1	MCULE-6301048365,EMOLS-id_323252670	262.695	QDMJUIAYDIGHJC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033329
c1(C(=O)Nc2ccc(nc2)Cl)c2CCCc2[nH]n1	EMOLS-id_323255487,MCULE-6653378486	262.695	QMAOBUIEBWFRKT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033330
c1(C(=O)Nc2nccc(Cl)c2)c2CCCc2[nH]n1	MCULE-2076121148,EMOLS-id_323258544	262.695	JBGQNZXIJSDTPK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033331
C[C@H]1[C@H](C(c2c1c(nn2C(C)(C)C)Cl)(F)F)C	SCHEMBL19788968,PC-id_134186358	262.727	WREFNWVFKUHUMP-NKWVEPMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033332
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)Cl	MCULE-4214305675,EMOLS-id_330960371	262.735	PRAURJOCMRYERE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033333
CC1CCc2c1c(O)nn2Cc1ccccc1Cl	EMOLS-id_330959090,MCULE-9658113673	262.735	SJSXPRKGUOXTJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033334
CC1CCc2nn(Cc3ccccc3Cl)c(O)c12	EMOLS-id_331005359,MCULE-6757149097	262.735	PTSGZYFZEBEYEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033335
CC1CCc2nn(Cc3ccc(Cl)cc3)c(O)c12	MCULE-7899677812,EMOLS-id_331006625	262.735	PYXUTZGRVNBNCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033336
Cc1c(cncc1Cl)NCc1cnc2n1CCC2	MCULE-5507321169,EMOLS-id_317936258	262.738	SAPUWGRJRDWEGX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033337
Cc1nccc(c1Cl)NCc1cnc2n1CCC2	MCULE-2379327147,EMOLS-id_318349911	262.738	KPBCTAXYHUIVNO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033338
Clc1cnccc1CNC1CC(n2c1ncc2)C	EMOLS-id_317922131,MCULE-5113603479	262.738	XGWBVTUHOKKOLF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033339
Clc1cnc(c(c1)C)NCc1cnc2n1CCC2	MCULE-6779302362,EMOLS-id_318262322	262.738	REBXHXOCZNNWBO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033340
Clc1ccc(cc1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37654195,PC-id_43462854	262.755	VJUGJKRIPVZZOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033341
Clc1ccccc1C(=O)c1sc2c(c1)CCC2	PC-id_114963360	262.755	GSDBGZIFIXLFFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033342
Clc1cccc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114964152	262.755	XUFNTXUXJRBXRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033343
c1(c2CCCc2nn1C(C)(C)C)S(=O)(=O)Cl	MCULE-4279593825,EMOLS-id_178071748	262.756	GRGFUINWVFVSRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033344
Clc1n(nc2c1CCC2)CCS(=O)(=O)CC	PC-id_66014123	262.756	DMVKDCKTZOJXBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033345
ClC(c1sc2c(CCC2)c1)c1ccc(cc1)C	PC-id_63428653	262.798	CBKUUVREZWJALO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033346
ClC(c1sc2c(CCC2)c1)Cc1ccccc1	PC-id_63543898	262.798	GEPBPDNIGPCKEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033347
CCOC(=O)C1=C(N=C2N1CC(=O)N2)C(F)(F)F	PC-id_150897103	263.052	KZFIKGMBMCCSTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033348
C1C2=C(CN1S(=O)(=O)CC3=CC=CC=C3)NN=C2	PC-id_153811483	263.073	NWHWBWIHANBNOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033349
CCOC(=O)C1=CC2=C(N1)CC(O2)(C)C(F)(F)F	PC-id_148612953	263.077	NESUKFHRRZQNRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033350
c12CN(Cc1nn(C)c2I)C	MCULE-4714014815,EMOLS-id_317877237	263.079	NKKKLVQYBPOBLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033351
Ic1[nH]nc2c1CNC2(C)C	PC-id_138750379,SCHEMBL21132236	263.079	QCYNBHWQYXXKNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033352
Brc1sc2CCC(O)(c2c1)C(=O)O	PC-id_83913395	263.108	CVOQMJHPMSFKQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033353
Brc1sc2C(O)(CCc2c1)C(=O)O	PC-id_83913394	263.108	CIKOUGXBCZWGKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033354
c1(C(=O)OC)c2COCc2sc1Br	EMOLS-id_331061807,MCULE-4367051138	263.108	RCQMXBIYCWLMHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033355
OC(=O)c1c(Br)sc2c1C(C)OC2	PC-id_114748384,EMOLS-id_96310450	263.108	BCKUBASAMCACJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033356
C/C=C
/c2cc(nn2CS1(=O)=O)Br	PC-id_140921470	263.112	DGFNUHLILIENCB-KXFIGUGUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033357
CC1(C2=NN(C(=C2CN1)NC(=O)C3CC3)C(=O)[O-])C	PC-id_161587643	263.115	WRSFOMNHSSOIMR-UHFFFAOYSA-M	00100010100000000001000010000000000000000000000000000000	25-01-033358
O=Cc1sc(c2c1C(=O)CS2)Br	PC-id_97749252	263.132	MIZAWWNOFLFIAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033359
C/C=C
/CC2=C(/C1=C/C=C)NN=C2NC3=CC=CC=C3	PC-id_155120176	263.142	YYZNFSCMHFADEN-VUIZOPAYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033360
Brc1n(nc2c1CS(=O)C2)C(C)C	PC-id_59050133	263.155	ILWGLFVCNQOZMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033361
C[C@@H](C1(CCC1)OC)NC(=O)C2=C3CCCN3N=C2	ZINC22_334127293,PC-id_164639586	263.163	QKXNFFFZTILVTL-JTQLQIEISA-N	00001010100000000001000010000000000000000000000000000000	25-01-033362
CCOC1(CCCC1)C(=O)N[C@H]2CCN3C2=NC=C3	PC-id_164631751,ZINC22_1544082456	263.163	UFPWRZHHVFCJJA-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-033363
Cn1ncc2C(N(Cc12)C(=O)C(F)(F)F)C(=O)O	EMOLS-id_331227416	263.173	SJDZDBQKWVFIRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033364
OC(=O)c1c(NC(=O)C(F)(F)F)nc2CCCn12	EMOLS-id_331227674	263.173	GYGNFQYFMSQIHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033365
o1nc2CCCc2c1NC(=O)c1oc([N+](=O)[O-])cc1	PC-id_16942300	263.206	HHCMCXWQFOFXFF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-033366
OCC(C(F)(F)F)NC(=O)c1occ2c1CCC2	MCULE-9916277062,EMOLS-id_320319260	263.213	XQPJWGLLXFBORG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033367
c1(C(=O)OCC)c2CNCc2nn1CC(F)(F)F	EMOLS-id_324344430,MCULE-4094184888	263.216	JVJNDLMUBHXVSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033368
CCC(C(F)(F)F)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_318777510	263.216	JTTPRQXMORQGJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033369
CCOC(=O)c1nn2[C@@H](CC(c2n1)F)C(C)(F)F	SCHEMBL20645886,PC-id_137412477	263.216	OODISPSFNQCFNG-GDVGLLTNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033370
CCOC(=O)c1nn2[C@@H](C[C@@H](c2n1)F)C(C)(F)F	SCHEMBL20645885,PC-id_137412476	263.216	OODISPSFNQCFNG-WDSKDSINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033371
CCOC(=O)c1nn2c(n1)C(CC2C(F)(F)C)F	SCHEMBL20854968,PC-id_138504547	263.216	OODISPSFNQCFNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033372
OCC(C(F)(F)F)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319575844	263.216	XUMAPAZMSVTMQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033373
OCC(C(F)(F)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_319322152	263.216	VDUUOWXTVQYMSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033374
OCC(C(F)(F)F)NC(=O)c1nn2c(c1)CCC2	MCULE-4922885702,EMOLS-id_320316789	263.216	FJKFKEMTJANRIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033375
OCC(C(F)(F)F)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319211210	263.216	VPVUGKZKDGKJSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033376
[O-][N+](=O)c1cn2c(n1)OC(C2)COS(=O)(=O)C	SCHEMBL5539172,PC-id_23081651	263.228	PKGXVOZWHGUQSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033377
S(=O)(=O)(OC1Oc2n(C1)cc(n2)[N+](=O)[O-])CC	PC-id_85964059	263.228	JUCXCNCQCDIYGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033378
Fc1cc(C(=O)c2c3CCCc3oc2N)ccc1F	PC-id_83447135	263.239	HTTOLHTVUWISEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033379
Fc1c(C(=O)c2c3CCCc3oc2N)c(F)ccc1	PC-id_83447137	263.239	MNXQTNNAGYVOTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033380
c1(cn2c(CCC2)n1)C(=O)Nc1c(cccc1F)F	EMOLS-id_321298142,MCULE-8063957755	263.243	TXOQXOLPLNTSNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033381
c1(C(=O)Nc2ccc(cc2F)F)c2CCCc2[nH]n1	EMOLS-id_179744919,PC-id_110388950,MCULE-9811969842	263.243	PHJYDAXISKZQIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033382
c1(C(=O)Nc2c(cccc2F)F)c2CCCc2[nH]n1	PC-id_110388969,EMOLS-id_179744976,MCULE-1182402395	263.243	LNHYLYLTBLMFMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033383
c1(C(=O)Nc2ccc(cc2F)F)cn2c(CCC2)n1	EMOLS-id_321296605,MCULE-4428545318	263.243	DSLKHNIFJRJSKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033384
c1(C(=O)Nc2ccc(c(F)c2)F)c2CCCc2[nH]n1	PC-id_110388970,EMOLS-id_179744979,MCULE-4653005623	263.243	MJQAWXTZFWITAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033385
c1(C(=O)Nc2ccc(c(F)c2)F)cn2c(CCC2)n1	MCULE-2371743250,EMOLS-id_321298398	263.243	JLAKKGQEECPHOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033386
c1(C(=O)Nc2c(F)ccc(F)c2)c2CCCc2[nH]n1	EMOLS-id_334959461,MCULE-3281775108	263.243	ACOYBIFNAXIWHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033387
Fc1cccc(c1Cn1nc(c2c1CNC2=O)C)F	PC-id_110171003	263.243	PLIVDDDDTMWDSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033388
Fc1ccc(c(c1)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_319585289	263.243	ZXWPNCBRGARPOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033389
Fc1ccc(c(c1)F)NC(=O)c1cnn2c1CCC2	EMOLS-id_319821469,MCULE-4708965373	263.243	VSUQTZCXYFCKNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033390
O=C(O)c1coc2c1CN(C(=O)[C@@]13C[C@@H]1[C@H](O)C3)C2	ZINC22_1875313114	263.246	HJUCXCDETVRQQQ-JRKPZEMJSA-N	00101010100000000000011010000000000000000000000000000000	25-01-033391
S1(=O)(=O)Cc2c(C1)c(sc2C(=O)O)[N+](=O)[O-]	PC-id_84019146	263.248	RYKNLSURXBXYPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033392
CC(c1nc(no1)C)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_99555551	263.253	UMGAMZRLSRPOTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033393
CN(Cc1nnc2n1CCC2)c1nc(C(=O)O)co1	ZINC22_910340168,PC-id_145905744,EMOLS-id_317343509,MCULE-1304179325	263.253	PRODECYMWWWFMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033394
Oc1onc(n1)CN(C(=O)c1cn2c(n1)CCC2)C	EMOLS-id_319044144	263.253	VDRKTRXDBSMYQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033395
Oc1onc(n1)CN(C(=O)c1cnc2n1CCC2)C	EMOLS-id_316442931,MCULE-4723420621	263.253	MGHQRHMHUGYQJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033396
FC(F)(F)c1oc2c(CCC2)c1CNCCOC	PC-id_83610555	263.256	NEPQIKZRPASNEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033397
O=C(NC(c1n2CCCc2nn1)C)c1nonc1N	PC-id_55103711	263.256	OQTHEMOTPSPRGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033398
O=C(N(Cc1n2CCCc2nn1)C)c1nonc1N	PC-id_62687082	263.256	AQPQHBXIWVBGHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033399
[O-][N+](=O)c1ncn(c1NCc1n2CCCc2nn1)C	PC-id_18280690	263.256	VWYZWUDJKBLBTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033400
c12CN(Cc1nn(C(C)C)c2CO)CC(F)(F)F	MCULE-6152286256,EMOLS-id_324346218	263.259	ZRYAYAVWWUBVIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033401
FC1(F)CC(C1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319277689	263.264	BJDABMUCXBMEMO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033402
FC1(F)CC(C1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319212297	263.264	AMJQFCBEPMUPQR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033403
FC(C1(CC1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)F	EMOLS-id_320026762,MCULE-4098874899	263.264	BAHOJDCSKOMRMV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033404
C=C/C=C(/C1Cc2c(C1)c(n[nH]2)C(=O)O)C(=NC)F	PC-id_143311097	263.268	ACDIIYYCRIITMB-XHZHXWMXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033405
COc1ccc(cc1F)OCc1nnc2n1CCC2	EMOLS-id_319949105,MCULE-6434007423	263.268	FQMRMOPUGXZODR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033406
COc1nc(NCc2n[nH]c3c2CCC3)ncc1F	EMOLS-id_317326280,MCULE-5367939529,ZINC22_1704336291,PC-id_135118439	263.271	LCRKQGLYYBAHEJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-033407
S1Cc2c(noc2NC(=O)C2C=CC=NC2=O)C1	PC-id_75355104	263.272	CGCXDJJBQRBYST-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-033408
S1Cc2c(noc2NC(=O)C2C=CC(=O)N=C2)C1	PC-id_75355103	263.272	OXJLYKVAXQQQPN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-033409
S1Cc2c(noc2NC(=O)c2c[nH]c(=O)cc2)C1	PC-id_49720039	263.272	PSMZSXAGYCBKCB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033410
S1Cc2c(noc2NC(=O)c2c(=O)[nH]ccc2)C1	PC-id_49720040	263.272	PLNBYUFTSIKEEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033411
Cn1cc[n+](c1N=Nc1c(n2CCCn2c1=O)O)C	PC-id_136155043,SCHEMBL3398954	263.276	FEGCNWXZDAXFAG-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-033412
N1(Cc2c(nc(N)s2)C1)C(=O)c1ccc(=O)[nH]n1	MCULE-4858914131,PC-id_82194147	263.276	YLSJNTXSAOIMJJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-033413
s1c2CNCc2nc1NC(=O)c1n[nH]c(=O)cc1	PC-id_82194034	263.276	SVXKBBMDWRRBDT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-033414
c12CN(Cc1nn(CC(F)F)c2)Cc1ccccc1	MCULE-8205288181,EMOLS-id_324338787	263.286	DQXFCMAPLCUWDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033415
CC1CCc2c1c(N)nn2Cc1cccc(F)c1F	EMOLS-id_330961908,MCULE-7184641983	263.286	WJSOQPCRCXFTRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033416
CC1CCc2c1c(N)nn2Cc1ccc(F)cc1F	MCULE-2247711434,EMOLS-id_330964211	263.286	ZIHCLUUZDSDRRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033417
CC1CCc2c1c(N)nn2Cc1ccc(F)c(F)c1	MCULE-8432466878,EMOLS-id_330963955	263.286	PIQMZSPQWRROFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033418
CC1CCc2c1c(N)nn2Cc1cc(F)ccc1F	EMOLS-id_330962420,MCULE-1442132322	263.286	DMZFEOAVPPCARI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033419
CC1CCc2c1c(N)nn2Cc1cc(F)cc(F)c1	MCULE-8176187048,EMOLS-id_330964468	263.286	MWTJFXCCQDGLBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033420
CC1CCc2c1c(N)nn2Cc1c(F)cccc1F	MCULE-7964463592,EMOLS-id_330962164	263.286	XOPVGRRKIBKESJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033421
CC1CCc2nn(Cc3cccc(F)c3F)c(N)c12	EMOLS-id_331010977,MCULE-2738855377	263.286	NPNAPQGFYDUHGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033422
CC1CCc2nn(Cc3ccc(F)cc3F)c(N)c12	EMOLS-id_331013280,MCULE-2003794841	263.286	LJLASJWZWNQOSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033423
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(N)c12	EMOLS-id_331013024,MCULE-4922356475	263.286	NCVWRSVGLOJDPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033424
CC1CCc2nn(Cc3cc(F)ccc3F)c(N)c12	EMOLS-id_331011489,MCULE-7879338084	263.286	WFKDZWBMPCPDDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033425
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(N)c12	EMOLS-id_331013537,MCULE-2007263377	263.286	IZPJEWPSLFDZGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033426
CC1CCc2nn(Cc3c(F)cccc3F)c(N)c12	MCULE-5525139578,EMOLS-id_331011233	263.286	LBFUUIFLSXLLJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033427
C=Cc1nc2n(n1)CC[C@H]2/C(=C/C)/C(=C(C=C)/F)/F	PC-id_143770195	263.286	JHYHHJHUEPUKIC-ADOAOWDDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033428
c12CN(Cc1sc(N)n2)C(=O)c1ccc(cc1)F	PC-id_82194150,MCULE-5786496263	263.291	GEOMXFLIHDEWKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033429
c1(sc2c(CNC2)n1)NC(=O)c1cccc(F)c1	PC-id_82194072,MCULE-5222956703	263.291	OQDYIXITJGVEPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033430
Fc1ccc(cn1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314273713,PC-id_63978021	263.291	FDMURDLEAPZKAH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033431
Fc1cccc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_113323544,EMOLS-id_315745537	263.291	OSDOHWXPHXDSEP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033432
Fc1nccc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314143504,PC-id_54962904	263.291	HGFWWCZIQZBYSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033433
O=C(c1cccnc1F)Nc1sc2c(n1)CCC2	PC-id_108091728	263.291	AZQZYIYMSKROSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033434
O=C(c1ccncc1F)Nc1sc2c(n1)CCC2	PC-id_115645598	263.291	DDBBRQQFQLGUGI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033435
s1c2CNCc2nc1NC(=O)c1ccc(F)cc1	PC-id_82194037	263.291	KMZFZVRKQAWPEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033436
s1c2CN(Cc2nc1N)C(=O)c1cc(F)ccc1	PC-id_82194183	263.291	DNFQFQUKMZQTLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033437
s1c2CNCc2nc1NC(=O)c1c(F)cccc1	PC-id_82194073	263.291	KVHWBZAJNAJUIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033438
s1c2CN(Cc2nc1N)C(=O)c1c(F)cccc1	PC-id_82194184	263.291	XARYFMDVBGAGBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033439
c12CN(Cc1nn(CC1CCC1)c2C=O)C(=O)OC	EMOLS-id_324349798,MCULE-6450324906	263.292	CLOCDYVVYVDZLD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033440
C1(=C(OCCO1)C)C(=O)NCc1c2CCCc2[nH]n1	MCULE-3397064308,ZINC22_952982958,EMOLS-id_290034950	263.292	SUJOZXMQSGCVRB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-033441
c1(C(=O)N2CCC(CC2)C(=O)O)c2CCCc2[nH]n1	EMOLS-id_323256761,MCULE-7797102145	263.292	UQYAJXFDRRYDDW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033442
CCOC(=O)c1c(C)nc2n1CC(=O)N2C/C=CC	PC-id_142157188	263.292	POQGEXVKNLWONL-XQRVVYSFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033443
COCC1=CCN(CC1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99606259	263.292	NWGIJCALPITYRU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-033444
CNC(c1sc2c(c1)CCC2)CC1CCCCC1	PC-id_113665919	263.441	RAUWWOLGYCTLKH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033939
OC[C@]12C[C@H]1CCCN2C(=O)c1nn2c(c1)OCC2	EMOLS-id_319419142	263.292	YFOBHIKWXJLMBL-NOZJJQNGSA-N	00100010100010000001010010000000000000000000000000000000	25-01-033445
OCCOCc1n[nH]c2c1CN(C2)Cc1ccco1	CHEMBL3553224,PC-id_97406020	263.292	NFVDHTNYAGKEHW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-033446
OC(=O)CC1CCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_318053569	263.292	POKAOZVUJBHMJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033447
O=C(O)C[C@H]1CCCN1C(=O)c1cnn2c1CCC2	ZINC22_637794893	263.292	POKAOZVUJBHMJS-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033448
O=C(O)C[C@@H]1CCCN1C(=O)c1cnn2c1CCC2	ZINC22_637794898	263.292	POKAOZVUJBHMJS-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-033449
OC(=O)CCN(C(=O)c1cnn2c1CCC2)C1CC1	EMOLS-id_318239900	263.292	VGLMKXOIOZNPTL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033450
s1c2CCCc2c(c1NC(=O)CCC(=O)[O-])C#N	PC-id_7312202	263.292	CBZQKTUXYAJFKN-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-033451
CCC1(C)NC(=O)N(C1=O)Cc1nnc2n1CCC2	EMOLS-id_99171856	263.296	XMKLWKAXEQAPAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033452
CCC1NC(=O)N(C1=O)C(c1nnc2n1CCC2)C	EMOLS-id_100234723	263.296	QNVVHYYFRZJLPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033453
CC(C1NC(=O)N(C1=O)Cc1nnc2n1CCC2)C	MCULE-3317368487,EMOLS-id_98937106	263.296	OWZRNGREYUXKTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033454
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)C1CC1	SCHEMBL2921322,PC-id_68441548	263.296	VATZBXKUYAXNAH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033455
CCOCc1nnc(NCc2cnn3c2CCC3)o1	ZINC22_656773474,MCULE-1205719478,EMOLS-id_316921549	263.296	ZXXHJKXCJBTVMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033456
Cn1nc2c(c1CNC(=O)N1CCNC1=O)CCC2	MCULE-6727914332,PC-id_91819384,ZINC22_225817818,EMOLS-id_53884637	263.296	RQPOIISCXQHNEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033457
COCCC(=O)N=C(/C=C/1NCc2c1n(C)nc2)N	PC-id_143974761	263.296	IGMWLIFUXIBMDV-UITAMQMPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033458
O=C1NC(C(=O)N1C(c1nnc2n1CCC2)C)(C)C	EMOLS-id_100232350	263.296	ZRKCSNVZKLDOKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033459
O=C(C1CCCC1)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2917241,PC-id_68440252	263.296	RDGTXESZOKIIAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033460
O=C(C1CNC(=O)N1C)NCc1cnc2n1CCC2	EMOLS-id_320329345,MCULE-4385750635	263.296	YJJBXUFTESOFAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033461
O=C(C1CNC(=O)N1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319743892	263.296	AMOINLCKNCWACA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033462
O=C(C1NC(=O)N(C1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319111352	263.296	FLZYPCVWSQDVLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033463
O=C(N1Cc2c(C1)cn[nH]2)CNC(=O)N1CCCC1	EMOLS-id_258086347,MCULE-2631312462	263.296	VQWMRRBWNDGWPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033464
O=C(N1Cc2c(C1)c(n[nH]2)C(=O)N)N1CCCCC1	PC-id_142498949	263.296	DOKQQQCKFJBUHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033465
O=C(N1CCn2c1ncc2)CN1CCN(C(=O)C1)C	EMOLS-id_279043863	263.296	ZDULKNNJNYXLTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033466
O=C(N(Cc1n2CCCc2nn1)C)C1CNC(=O)C1	PC-id_78982837	263.296	CIRCLJKEYVKTEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033467
O=C(NC(c1n2CCCc2nn1)C)C1CNC(=O)C1	PC-id_78983729	263.296	GFKKAWWRHNUDAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033468
O=C(N(Cc1n2CCCc2nn1)C)C1NC(=O)CC1	PC-id_53521602	263.296	IRHNKEGASZYCBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033469
s1c(N/N=C/2c3[n+](N=C2C)cn(n3)C)nnc1C	PC-id_23386362	263.302	LBYQWCBNTHGUBN-XFFZJAGNSA-N	00000011100000000001000010000000000000000000000000000000	25-01-033470
s1c(NN=C2c3[n+](N=C2C)cn(n3)C)nnc1C	PC-id_74046499	263.302	LBYQWCBNTHGUBN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-033471
C#CCCC(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108019755	263.312	AMTJZVUWXDCMHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033472
C#CCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_278910847,PC-id_81766590	263.312	NQPVUQGKPJZLDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033473
C#CCN(C(=O)c1sc2c(c1)CCC2)CC(=O)O	PC-id_79279233,EMOLS-id_315402071	263.312	WPOCWUGRZQXHSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033474
s1c2CCCc2nc1C(CC(=O)O)c1occc1	PC-id_82026649	263.312	FUSVLCBSAAOUFY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-033475
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	PC-id_141354534	263.316	NBSPPVLYFOPSNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033476
Cc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320259096,MCULE-3442318234	263.316	SAFBCTBUHWXBCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033477
Cc1cc(O)cc(=O)n1Cc1cn2CCSc2n1	STOCK7S-71941,PC-id_134716857,MCULE-3026665650,ZINC22_1547201097,EMOLS-id_313507417	263.316	VXZPONQZOVSXPD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033478
Cc1cc(=O)cc(O)n1Cc1cn2CCSc2n1	ZINC22_1547208953,EMOLS-id_316176273,MCULE-3662446194	263.316	PMUVIRVKTGRVHF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033479
Cc1c(C(=O)Nc2sc3c(CCC3)n2)c(C)on1	PC-id_26723300,ZINC22_15636799,EMOLS-id_23994297,CoCoCo_4164236,MCULE-5263392913	263.316	NMYXUKIKYBRQFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033480
Cc1noc(n1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_98622839	263.316	BYTWQNWQFXFZJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033481
CC(=O)NCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327903278,MCULE-8431016444	263.316	CHDWXTORUNXQGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033482
CN1C(=O)CN=C1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_278442493	263.316	DNEHUNPBMOBFAC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-033483
COc1nscc1NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319547267	263.316	LSFVXENQFOTKMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033484
COC(=O)C1CCc2n1c(nn2)Cc1cscc1	PC-id_69071609,SCHEMBL4507031	263.316	XRJHOJWLPYIKJG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033485
NCc1ccc(o1)C(=O)Nc1sc2c(n1)CCC2	PC-id_80009582,EMOLS-id_315479094	263.316	KTZSUOATVGOTDJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-033486
O=S(=O)(Cc1cc2n(n1)CCC2)c1cccnc1	PC-id_146144284,ZINC22_1641432391	263.316	CWPFRTTZEZMBHK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033487
O=S(=O)(N1CCn2c1ncc2)Cc1ccccc1	EMOLS-id_316740357	263.316	HIVMMAFAWOESIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033488
s1c2CCCc2nc1NC=C(C(=O)OCC)C#N	PC-id_78631109	263.316	YNVXWKQHMQTEIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033489
s1c2CCCc2nc1N/C=C(/C(=O)OCC)C#N	PC-id_8198676	263.316	YNVXWKQHMQTEIR-BQYQJAHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033490
c12SCCn1cc(CNC(=O)c1nccn1C)n2	EMOLS-id_232877789,ZINC22_828215261,MCULE-3066311475	263.319	HRWVLKLXOVUDKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033491
c1(C(=O)Nc2nnc(CC)s2)c2CCCc2[nH]n1	MCULE-8360435973,EMOLS-id_323259826	263.319	HNQYAWAZQAAULW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033492
c1(C(=O)NCc2c3CCCc3[nH]n2)c(C)nsn1	MCULE-2013639696,ZINC22_1857687689,PC-id_145934152,EMOLS-id_323946834	263.319	AADJWATTWCVVMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033493
Cc1nnc2CC(CNC(=O)c3cnsc3)Cn12	EMOLS-id_317520499,MCULE-2865154751,PC-id_137345821	263.319	SGLHBGJAJVMEHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033494
Cc1nnc2CC(CNC(=O)c3cscn3)Cn12	EMOLS-id_323952468,PC-id_145930739,MCULE-2180652186	263.319	HRIKJSVXMGYPPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033495
Cc1nnc2n1C[C@@H](CNC(=O)c1cnsc1)C2	ZINC22_1772705842	263.319	SGLHBGJAJVMEHZ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033496
Cc1nnc2n1C[C@H](CNC(=O)c1cnsc1)C2	ZINC22_1772705844	263.319	SGLHBGJAJVMEHZ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033497
Cc1nnc2n1C[C@@H](CNC(=O)c1cscn1)C2	ZINC22_1857687838	263.319	HRIKJSVXMGYPPH-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033498
Cc1nnc2n1C[C@H](CNC(=O)c1cscn1)C2	ZINC22_1857687839	263.319	HRIKJSVXMGYPPH-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033499
Cc1nnc(s1)N(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_111724359	263.319	COVAMZIXJSXOSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033500
Cc1nsc(NC(=O)c2c3c(nn2C)CCC3)n1	ZINC22_906835809	263.319	OACGLGIGONPZBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033501
CCc1cnc(s1)NC(=O)N1CCn2c1ncc2	MCULE-6136655480,EMOLS-id_319940792	263.319	DZTXVMLTLYKMQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033502
CCc1[nH]nc(n1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315449272,PC-id_80385854	263.319	USTJOJDJYZBWGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033503
CCn1nnc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_279090199	263.319	OXPZKWTXUYWLMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033504
CCNc1scc(n1)C(=O)N1CCn2c1ncc2	EMOLS-id_316583118	263.319	OWXNNBTYTZYJDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033505
CC(=O)Nc1nc(CN2CCn3ccnc23)cs1	ZINC22_931529368,PC-id_146139310	263.319	PYKFRAWJIJKSLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033506
C[n+]1ccn(c1)CCNc1n2CCCn2c(=O)c1N	SCHEMBL13745443,PC-id_89160099	263.319	BVUMMRCCAMKMGR-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-033507
Cn1nc(c(c1)N)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315347303,PC-id_65354281	263.319	CZDDDXKDJIQDLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033508
COc1cc(Nc2sc3c(n2)CCC3)nc(n1)N	PC-id_114053160	263.319	BVQYKHHBOFZINV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-033509
n1c2CCCc2sc1CCNC(=O)c1c[nH]nn1	PC-id_110475499,MCULE-4277595470,EMOLS-id_181191910	263.319	YJPMGZDCSZKPMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033510
Nc1[nH]nc(n1)C(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314212918,PC-id_62793527	263.319	MPVVPLALJCCDKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033511
O=C(c1c(N)cnn1C)Nc1sc2c(n1)CCC2	EMOLS-id_315350638,PC-id_65359793	263.319	MBVVAIIVHBXXLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033512
O=C(C1NCc2c1c[nH]n2)Nc1sc(c(n1)C)C	EMOLS-id_319950599,MCULE-1423050535	263.319	HZWUZSTYTQZXDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033513
O=C(C1NCc2c1c[nH]n2)Nc1sc(nc1C)C	EMOLS-id_320196818,MCULE-1306048609	263.319	SNFHVMSXRJVUEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033514
O=C(C1NCc2c1c[nH]n2)NCc1ncc(s1)C	EMOLS-id_320115009,MCULE-1329278660	263.319	QDDOSXRAHQAWCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033515
O=C(C1NCc2c1c[nH]n2)NCc1scc(n1)C	EMOLS-id_319348959	263.319	XAYNBJGHHYPUKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033516
O=C(c1nc(n(n1)C)C)Nc1sc2c(n1)CCC2	EMOLS-id_319698059	263.319	UKXXJBUKVUFCMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033517
O=C(c1n[nH]c(c1N)C)Nc1sc2c(n1)CCC2	EMOLS-id_314845354,PC-id_62083203	263.319	QVQUHMMERMSRGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033518
O=C(c1sc2c(c1)CCC2)NCCn1ncnn1	EMOLS-id_98002910	263.319	RBSQGYLQGBOPTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033519
O=C(c1snc(c1N)C)N1Cc2c(C1)cnn2C	EMOLS-id_319777701	263.319	OCVTZANGBOBSAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033520
O=C(c1snc(c1N)C)NC1CCn2c1cnc2	EMOLS-id_320018112,MCULE-3528057795	263.319	JKXOXRUKSXFWLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033521
O=C(c1snc(c1N)C)NC1CCn2c1ncc2	EMOLS-id_319038072	263.319	APIDTTNGICCDSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033522
O=C(c1snnc1C)NCc1cnc2n1CCC2	EMOLS-id_320079623,MCULE-9321899244	263.319	DHHBDNBRGSBFJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033523
O=C(c1snnc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319209456	263.319	RYVSCZCEWOBIAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033524
O=C(CCn1cncn1)Nc1nc2c(s1)CCC2	CoCoCo_4543906,PC-id_33041022,EMOLS-id_24951577,ZINC22_25769316,MCULE-3731979850	263.319	YCSLYOIIFGEEIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033525
O=C(Cn1ccc(n1)N)Nc1sc2c(n1)CCC2	EMOLS-id_314586132,PC-id_62113746	263.319	AWTLRHMIWHOJJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033526
O=C(Cn1ncc(c1)N)Nc1sc2c(n1)CCC2	EMOLS-id_315221431,PC-id_54962822	263.319	OAFMYBRDJAWKKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033527
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccsc1	EMOLS-id_318977645	263.319	BZDYZWVDZPSUKY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033528
O=C(N1CCn2c1ncc2)Nc1sc(nc1C)C	EMOLS-id_319301715	263.319	NWLDJEVSAXBRFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033529
O=C(NC1CC(n2c1ncc2)C)Nc1nccs1	EMOLS-id_101398537	263.319	ARCWJSZRCHKWMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033530
O=C(Nc1csnc1C)NC1CCn2c1ncc2	EMOLS-id_319480017	263.319	QOOOKAJEXCMMPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033531
O=C(Nc1sc2c(n1)CCC2)CCc1nn[nH]c1	EMOLS-id_318022377	263.319	HXZRWGXTADPOON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033532
s1c2CCCc2cc1C(=O)NC(C)c1n[nH]nn1	PC-id_61852236	263.319	FEMGDKQODPYWTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033533
S1CCn2c1nc(c2)CNc1nccnc1OC	PC-id_56855793	263.319	FTOHSOUWRDCKLR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-033534
s1cc(nc1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_55142864	263.319	CODYNMSHPTVBCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033535
s1cc(nc1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_55144585	263.319	PITYXOCFVAUARF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033536
s1c(C(=O)NCc2n3CCCc3nn2)c(nc1)C	PC-id_53518702	263.319	SACURMKORAWFQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033537
CCC1CCc2c1c(CNCC(F)(F)F)cs2	PC-id_114749177	263.322	SCYVDMORNXYYAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033538
CNC(c1sc2c(c1)CCC2)CCC(F)(F)F	PC-id_104992605	263.322	RMADHFRBFWDGGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033539
FC(CCCNCc1sc2c(c1)CCC2)(F)F	PC-id_113326326,EMOLS-id_314481430	263.322	YOLUIILZEAGTQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033540
FC(CNCc1csc2c1C(C)(C)CC2)(F)F	PC-id_114749162	263.322	HDOHHIRYXJMCKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033541
NC(c1sc2c(c1)CCC2)CCCC(F)(F)F	PC-id_113672042	263.322	VMXODASZUVFUOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033542
CC1CN(CC(O1)(C)C)C(=O)c1occ2c1CCC2	EMOLS-id_102393699	263.332	AHGBLTOLSDBWOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033543
CC(CC1(O)CCC1)NC(=O)c1occ2c1CCC2	EMOLS-id_319907428,MCULE-4974993383	263.332	MOVLXTLFYXGJCU-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-033544
C[C@H]1COC(CN1C(=O)c1occ2c1CCC2)(C)C	EMOLS-id_102641148	263.332	XFKRLTUCEQWJCJ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-033545
O=C(c1occ2c1CCC2)NC(C(O)(C)C)C1CC1	MCULE-9892848826,EMOLS-id_320063556	263.332	KKDMLIDYHBKUGR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-033546
Cc1cccc(c1)C#Cc1cn2c(c1)C(=O)C(C2)(C)C	SCHEMBL14248912,PC-id_71117507	263.334	YMVZIDWXWCELIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033547
C=C=C(C1CCn2c1ccc2C(=C)c1ccccc1)O	SCHEMBL18630238	263.334	CJJYZEYIYKHLGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033548
C=CC(=O)C1CCn2c1ccc2C(=C)c1ccccc1	PC-id_137100285	263.334	XHKRQBWLXCMKHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033549
Fc1c(ncnc1C)NCc1sc2c(c1)CCC2	PC-id_113229229	263.334	ZPSBUJJINUXSEY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-033550
NNC(c1ccncc1F)c1sc2c(c1)CCC2	PC-id_105335359	263.334	WCWKLWKRRCKHMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-033551
NNC(c1sc2c(c1)CCC2)c1cncc(c1)F	PC-id_105288082	263.334	DVWMDJBTKMUIPI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-033552
s1c2CCCc2nc1C(N)c1c(N)cc(F)cc1	PC-id_83328383	263.334	NCAFBUULWPVIGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033553
c12c(C=O)n(cc1C(CN2C(=O)C)CCN(C)C)C	EMOLS-id_324750279,MCULE-7582348976	263.335	ZWTRZKWMQGOPSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033554
c12CN(Cc1nn(CC1CCCCC1)c2)C(=O)OC	MCULE-9370169676,EMOLS-id_324339297	263.335	SCNSAFIJTSQUFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033555
c1(c2CCCc2[nH]n1)C(=O)N1CCCCC1CCO	EMOLS-id_334714601,PC-id_110898841,MCULE-1725354242	263.335	WRIKLWVESQQTIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033556
c1(CN(C)C(=O)C2(CCCO2)C)c2CCCc2[nH]n1	PC-id_119061852,EMOLS-id_82708621,MCULE-3514750170	263.335	HUQVWDOHCMGOAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033557
c1(C(=O)N2CCCC(CO)C2)c2CCCc2n(C)n1	EMOLS-id_320479244,PC-id_84467408,MCULE-2869214462	263.335	DJTQGDODFAVXGP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033558
c1(C(=O)NC2CCCCC2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316339024,MCULE-7572867481	263.335	XLINAURBJMMBNT-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033559
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1CCOC1	MCULE-4865142887,EMOLS-id_331019961	263.335	BSVCMSUJZGCWBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033560
c1(C(=O)OCC)c2CNCc2nn1CC1CCCC1	MCULE-6658807695,EMOLS-id_324343150	263.335	YLZBVCNCANKGCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033561
CC1CCC(CC1C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99598380	263.335	RNKRKZWFPMAZJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033562
CC1CCCC(N(C1)C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_102572620	263.335	KGBOJLQHWBMLBB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033563
CC1CC(CN(C1)C(=O)c1nn2CCOc2c1C)C	PC-id_91959953	263.335	CMNOJWSLFZKGKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033564
CC1CC(C(O1)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_110242665	263.335	ZZOHAFAMUIXMBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033565
CC1CC(C(O1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319736722	263.335	UOXWUMGQFVJAIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033566
CC1CCN(CC1(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102273879	263.335	XZZQVGCPBBZJRJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033567
CC1CN(CC(C1)(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102407425	263.335	IUJIYFFTDQAQBD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033568
CC1CN(CC(O1)(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_102787725	263.335	ZPECGZVOVGZSMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033569
CC1CN(CC(O1)(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102787758	263.335	COPAMQHHSIIZNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033570
CC1CN(CC(O1)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102653296	263.335	UVKSQKWUBHSZGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033571
CC1OC(C(C1)CNC(=O)c1cnn2c1CCC2)C	EMOLS-id_101678597	263.335	QFOKNCUQEFMMKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033572
CC1OC(C(C1)CNC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_101678585	263.335	DEQOVUZLWIZPHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033573
CC1OC(C(C1)C(=O)Nc1n(C)nc2c1CCC2)C	MCULE-7135284809,EMOLS-id_319906894	263.335	FNBIFXCXHYYCSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033574
CC1OC(C(C1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319384286	263.335	JZGFPVZPKZYHCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033575
CC(C1CCCC1NC(=O)c1nn2c(c1)OCC2)C	MCULE-4293452824,EMOLS-id_319988479	263.335	WTKSBVDXKZLNIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033576
CCC1(CCCCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_101560086	263.335	VWDQKDUALDVSIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033577
C=CCCCCCC(c1sc2c(c1)CCC2)NN	PC-id_107013004	264.429	TYIBONRHWUDYBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034483
CC(C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)O	PC-id_112377875	263.335	SQXJRVAAPFQMSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033578
CCC1CCC(O1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319247128	263.335	BQNPRVMAAVVNBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033579
CC(C1CCCO1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319679379	263.335	POOGGBHBGVTRFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033580
CC(C1CCCOC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99110237	263.335	BCRVSLXRNSLXJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033581
CCC(C1CCCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_101501607	263.335	RCUCIPKCKHXKEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033582
CC(CC1CCCN1C(=O)c1n[nH]c2c1CCC2)O	PC-id_112421372	263.335	NUEIZJUOOMTFDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033583
CC(CC1(O)CCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319724140	263.335	PTLSIDKQXAZLHM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033584
CC(CC1(O)CCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_319149034	263.335	BGKCZVAMXNBFSD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033585
CC(CC1(O)CCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319046996	263.335	WKPRTFASCRBJKJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033586
CCCC=CC(C(=O)Nc1n(C)nc2c1CCC2)O	EMOLS-id_316523518	263.335	ICXDIQZWWJAALV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033587
CC(C)(C)OC(=O)N1Cc2cn(CC3CC3)nc2C1	MCULE-8069198350,EMOLS-id_324339298,ZINC22_1875313020	263.335	GDURKVKIYKJHND-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033588
CC[C@@H]1CCO[C@@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318915338	263.335	FBJDURJWCVOCLX-MFKMUULPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033589
CC(C)NC(=O)c1nc2CN(CC3CCC3)Cc2o1	EMOLS-id_44366476,PC-id_97515414,ZINC22_96254362	263.335	CIPNLPAMZSDDPS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033590
C[C@@H]1CCC[C@@H](N1Cc1cc2n(n1)CCC2)C(=O)O	EMOLS-id_318969800	263.335	HIOVZARDFJZSHJ-ZWNOBZJWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033591
C[C@H]1COC(CN1C(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_102859358	263.335	WVLJSFLNZOZODQ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-033592
C[C@H]1COC(CN1C(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_102859379	263.335	JIBXRWMCXQOLRW-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-033593
C[C@H]1COC(CN1C(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_102577573	263.335	SFHWOGPTPAGILJ-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-033594
C[C@@H]1OCCC[C@@H]1C(=O)Nc1c2c(nn1C)CCC2	ZINC22_276828883,MCULE-6000386743,EMOLS-id_112047832	263.335	NPMHBSKVGRNZCG-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033595
CCOC1CC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319979906,MCULE-4931214599	263.335	RLWOKKQMWSKCKM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033596
CCOC1(CCCC1)C(=O)NC1CCn2c1ncc2	EMOLS-id_316903271,MCULE-9666049991	263.335	UFPWRZHHVFCJJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033597
CCOC1(C(=O)N=c2cc3n([nH]2)CCC3)CCCC1	EMOLS-id_324065646,MCULE-5224092874,PC-id_146105900,ZINC22_1875274677	263.335	QSPKBQJRLWEPCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033598
CCOC1(C(=O)N[C@@H]2CCn3ccnc23)CCCC1	ZINC22_1544082455	263.335	UFPWRZHHVFCJJA-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033599
CCO[C@@H]1CCC[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_101499534	263.335	LSFRSUXWHXSCGS-DGCLKSJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033600
CCO[C@@H]1CCC[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101499537	263.335	OFGXVLMCJWBBRF-DGCLKSJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033601
CC(O[C@@H]1C[C@@H](C1)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_101525190	263.335	QFQAUKLVWQUGAH-PHIMTYICSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033602
CC(O[C@@H]1C[C@@H](C1)NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_101524122	263.335	RMZOGDKOKMNSPX-KLPPZKSPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033603
CN1CCN(CC1)C(=O)c1cc2c([nH]1)C(CC2)(C)O	SCHEMBL13562354,PC-id_70937809	263.335	LVPPNKBSBDFVRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033604
CN(Cc1n[nH]c2c1CCC2)C(=O)[C@]1(C)CCCO1	ZINC22_426420029	263.335	HUQVWDOHCMGOAI-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033605
CN(Cc1n[nH]c2c1CCC2)C(=O)[C@@]1(C)CCCO1	ZINC22_426420031	263.335	HUQVWDOHCMGOAI-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033606
CN(C(=O)c1n[nH]c2c1CCC2)CC1(O)CCCC1	PC-id_112420492	263.335	VQINNRXADWQPSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033607
COC1CC(C1(C)C)NC(=O)c1cnn2c1CCC2	EMOLS-id_101222896	263.335	BOPCRXKCKOECNM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033608
COC1CC(C1(C)C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101222875	263.335	IEYCLOUROHCJQE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033609
COC1(CCC1)C(NC(=O)c1cc2n(n1)CCC2)C	EMOLS-id_101684159	263.335	BXWLQMRHYOVWFC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033610
COC1(CCC1)C(NC(=O)c1cnn2c1CCC2)C	MCULE-6858493072,EMOLS-id_101684165	263.335	QKXNFFFZTILVTL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033611
COC1CCCC1CNC(=O)c1cnn2c1CCC2	EMOLS-id_101228002	263.335	HTNWKKZQTZVFLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033612
COC1CCCC1CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_101221384	263.335	XHKAIDMHMAZQGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033613
COC1(CCCC1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-5381472992,EMOLS-id_320018863	263.335	CIKGSOBAKWBASN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033614
COC1([C@@H](C)NC(=O)c2cnn3c2CCC3)CCC1	ZINC22_334127294	263.335	QKXNFFFZTILVTL-SNVBAGLBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033615
COC(C(=O)NCc1cnc2n1CCC2)(C1CC1)C	EMOLS-id_319214543	263.335	YIOYJMJLNLMUHM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033616
COC(C(=O)NCc1cnc2n1CCC2)C1CCC1	EMOLS-id_318964102	263.335	KIVGYCUDMJPAFN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033617
COC(C(=O)NCc1n[nH]c2c1CCC2)(C1CC1)C	EMOLS-id_320183711,MCULE-4787396285	263.335	NSZJZEKQWNITNL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033618
COC(=O)C1=C(N(C)C)c2n(C1C(C)(C)C)ccn2	PC-id_102595065	263.335	MRKYOSWAORVEQB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-033619
OC1CCC(CC1)(C)NC(=O)c1cnn2c1CCC2	EMOLS-id_319775228	263.335	DIPSNNJSQPAPRT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033620
OC1CCCC(C1)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111460377	263.335	HERXOHSWTYNZNI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033621
OC1CCC(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320227792,MCULE-8460960393	263.335	GQPOFZJTBJMJEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033622
OC1CCN(CC1(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102678099	263.335	MYZIMCYJIFCACJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033623
OC1CN(C(C1)(C)C)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319386320	263.335	GVQVVXOQGYRLMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033624
O=C(c1cc2n(n1)CCO2)N1CCCC(CC1)(C)C	EMOLS-id_102731902	263.335	DNRWHKQXSJFEML-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033625
OC(C1CCCC1)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111426226	263.335	OUELRTLBYOHQKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033626
OCC1CCCCC1NC(=O)c1n[nH]c2c1CCC2	PC-id_112337487	263.335	CAUUPXPHIUBFSM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033627
OCC1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2	PC-id_112339614	263.335	IKFYXQAGRSLYLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033628
OCC1(C)CCCC1NC(=O)c1n[nH]c2c1CCC2	PC-id_112348959	263.335	DDBGOUOKKJXBME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033629
OCC1CCCCCN1C(=O)c1cnc2n1CCC2	EMOLS-id_316549763	263.335	JIBVGMKLRZCIRK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033630
OCC1CCCCCN1C(=O)c1nc2n(c1)CCC2	EMOLS-id_278949932	263.335	FEPIORAHESANBI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033631
O=C(C1(C)CCCCO1)NCc1cnc2n1CCC2	MCULE-6860154309,EMOLS-id_320319865	263.335	JLURBPASJYITHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033632
O=C(C1(C)CCCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_320156510,MCULE-5488457385	263.335	OXRCNAFGJCOSOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033633
O=C(C1(C)CCCOC1)NCc1cnc2n1CCC2	EMOLS-id_320029481,MCULE-4232089375	263.335	ZVAYQUYVFOMCQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033634
O=C(C1(C)CCCOC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318777452	263.335	KEYMJFCGWZPTRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033635
OCC1CCC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	PC-id_109988980	263.335	PRZQGMGCQWULOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033636
O=C(C1CCC(O1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101553272	263.335	HWXYFZMXPRLRBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033637
O=C(C1CCC(O1)(C)C)NCc1n[nH]c2c1CCC2	MCULE-2029726574,EMOLS-id_319921612	263.335	MPDLPFYANXCNQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033638
O=C(C1CCCOC1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319271190	263.335	HIEXWOAOVAZTER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033639
O=C(C1(C)CCOCC1)NCc1n[nH]c2c1CCC2	MCULE-1524584387,EMOLS-id_320104780	263.335	IZWOZDPJHVNMOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033640
O=C(c1cnn2c1CCC2)NCC1(O)CCCC1C	EMOLS-id_101299026	263.335	LDUWZVGVGGUWMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033641
O=C(c1cnn2c1CCC2)NC(C(O)(C)C)C1CC1	EMOLS-id_319405751	263.335	VRRDCYWQUXSIEZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033642
O=C(c1nn2c(c1)CCC2)NC(C(O)(C)C)C1CC1	EMOLS-id_318916781	263.335	IHKRPVGWBMUWJZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033643
CCNC(c1sc2c(c1)CCC2)CC(CC)CC	PC-id_105028447	265.457	ASEMFPUDEVRNFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035145
O=C(c1nn2c(c1)OCC2)N1CCCCC(C1)(C)C	EMOLS-id_102408493	263.335	QBNMMLNQVKGYSN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033644
O=C(c1n[nH]c2c1CCC2)N1CCCC1C(O)(C)C	PC-id_112384212	263.335	YEMZNNMSPXAHMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033645
O=C(c1n[nH]c2c1CCC2)N1CCCC(CC1)(C)O	EMOLS-id_102431850	263.335	LPPNHKYMWIMMPA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033646
O=C(c1n[nH]c2c1CCC2)NCCOC1CCCC1	EMOLS-id_98240818	263.335	IWJXKMCFCBUFNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033647
O=C(c1n[nH]c2c1CCC2)NC(C(O)(C)C)C1CC1	EMOLS-id_319188551	263.335	CVMLZMYPGFDDTG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033648
O=C(C1(O)CC(C1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_319035283	263.335	VEUMFMZPBPOXPG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033649
O=C(C1(O)CC(C1)(C)C)NCc1nn2c(c1)CCC2	EMOLS-id_319079146	263.335	XFHJAILFSSRPBR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033650
O=C(C1(O)CC(C1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319456876	263.335	NWZFLHRGEHPDEV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033651
O=C(CC1CCCCO1)NCc1cnc2n1CCC2	EMOLS-id_318927317	263.335	AJRNMZVIWMWANZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033652
O=C(CC1CCCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319231165	263.335	NXKCSEYOJJDMNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033653
O=C(CC1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319782238	263.335	IPOOZTRNYBCYSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033654
O=C(CC1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320311383,MCULE-1630176609	263.335	CTDJFKAZOKOFGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033655
O=C(CC1(O)CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_99904419	263.335	BPOKVURHBFYWJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033656
O=C(CC1(O)CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318801840	263.335	DIEBRLJIDLTNGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033657
O=C(CC1(O)CCCC1)NCc1n[nH]c2c1CCC2	MCULE-5761818809,EMOLS-id_319955733	263.335	OHNURNMWAWEPJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033658
O=C(CC(C1CC1)(O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318984914	263.335	QJASGTQHNPNYKL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033659
OCCCC1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_109988396	263.335	HLCBXQHAJXYIGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033660
O=C(C[C@@H]1CCC[C@H]1O)NCc1cnc2n1CCC2	EMOLS-id_318814809	263.335	MGXYHYWATOWYNJ-CMPLNLGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033661
O=C(C[C@@H]1CCC[C@H]1O)NCc1nn2c(c1)CCC2	EMOLS-id_318865934	263.335	NVDKEBAJUOQOHZ-GXFFZTMASA-N	00000010100000000001000010000000000000000000000000000000	25-01-033662
O=C(C[C@@H]1CCC[C@H]1O)NCc1n[nH]c2c1CCC2	EMOLS-id_320262598,MCULE-5076307925	263.335	NRMGYQHQJHUAHP-TVQRCGJNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033663
O[C@@H]1CCCC[C@H]1CNC(=O)c1cnn2c1CCC2	EMOLS-id_101553986	263.335	VEWJYZNCPLRULK-GXFFZTMASA-N	00000010100010000001000010000000000000000000000000000000	25-01-033664
O[C@H]1CCCC[C@@H]1CNC(=O)c1cnn2c1CCC2	EMOLS-id_101558408	263.335	VEWJYZNCPLRULK-MFKMUULPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033665
O=C(N1Cc2c(C1)n(nc2)CC1CC1)OC(C)(C)C	SCHEMBL17561650,PC-id_118919130	263.335	VUWXKLVJHHKOKY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033666
O=C(N1CCn2c1ncc2)CCCC(=O)C(C)(C)C	EMOLS-id_316580303	263.335	NTSSETCOSWSXEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033667
O=C(NC1CCn2c1cnc2)CC1CC(C1(C)C)O	MCULE-8863427358,EMOLS-id_320147846	263.335	VUDDMWJYSWDURD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033668
O=C(Nc1n(C)nc2c1CCC2)CC1CCCCO1	EMOLS-id_101145335	263.335	ZIHPOQPJEOQJIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033669
O=C(Nc1n(C)nc2c1CCC2)CC1CCOCC1	EMOLS-id_99333442	263.335	PPSLUSCWQDOASY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033670
O=C(Nc1n(C)nc2c1CCC2)C[C@@H]1CCC[C@H]1O	MCULE-6519897522,EMOLS-id_320106069	263.335	KPXBJJNUVDTSHB-JOYOIKCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033671
O=C(NCc1cnc2n1CCC2)CCC1COCC1	EMOLS-id_319447496	263.335	AEMPKWBFPMXOQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033672
O=C(NCc1cnc2n1CCC2)COC1CCCC1	MCULE-9729587063,EMOLS-id_320281741	263.335	DWIRHGVQTXUAQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033673
O=C(NCc1n[nH]c2c1CCC2)CCC1CCCO1	EMOLS-id_320318748,MCULE-3948659468	263.335	LWMBKIZDJBHVSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033674
O=C(NCc1n[nH]c2c1CCC2)CCC1COCC1	EMOLS-id_319022748	263.335	JYSXOBAVJRPAAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033675
O=C(NC[C@H]1CCCC[C@@H]1O)c1cc2n(n1)CCC2	ZINC22_294883375,MCULE-9727128689,EMOLS-id_101558423	263.335	IDLDWHZFAALIGY-MFKMUULPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033676
OC(=O)C1(CCCCCC1)Cc1n2CCCc2nn1	PC-id_62874016	263.335	IEFTVEAEYAILKD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033677
OC(=O)CC1(CCCCC1)Cc1n2CCCc2nn1	PC-id_55125937	263.335	SRTSNUAAMXAYFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033678
OC(=O)CN(C1CCCC1)Cc1nn2c(c1)CCC2	MCULE-5437125539,EMOLS-id_258060503	263.335	HOVGSOOCSODBKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033679
CC(C)[C@H]1c2c(CN1)sc(n2)NS(=O)(=O)O	PC-id_134170806,SCHEMBL19771974	263.337	VOANSDAYWLOANE-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-033680
n1(nc(c2CC(Cc12)CC=C)C#N)Cc1ccccc1	PC-id_58713649	263.337	QXHKCYIMOAZUJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033681
C1CSc2nc(cn12)C=C1C2N(C1=O)C=CS2	PC-id_91079859	263.339	ADTCASQFBFELFG-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-033682
CC1CCCCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_102315403	263.339	AVOXXWSYKNHASC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033683
CC1CCC(N1C(=O)NCc1nnc2n1CCC2)C	EMOLS-id_102456110	263.339	GITTVCKKPVHNES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033684
CC1CCCN(C1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102371820,PC-id_75807303	263.339	SJIPVBCVQXIXHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033685
CC1CCN(C1C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102409671	263.339	UNOHDEWIBILQNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033686
CC1CCN(C1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_102361811	263.339	LTIFQLOXJJPKGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033687
CC1CCNC1C(=O)NC(c1nnc2n1CCC2)C	PC-id_102777583	263.339	PWYPANFPUTZUDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033688
CC1CCNC1C(=O)N(Cc1nnc2n1CCC2)C	PC-id_102778785	263.339	OWDBSCLQSCTZSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033689
CC1CCN(CC1)C(=O)NCc1nnc2n1CCC2	PC-id_52380249,EMOLS-id_102338377	263.339	VFHOURTVVIQREM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033690
CC1CN(CC1C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102680292	263.339	XVDWBWZZLZKJPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033691
Cc1nc(c2n1C(=O)N(C2)CCN1CCNCC1)C	SCHEMBL3448650,PC-id_23138284	263.339	ZHDLUKMQCJHNFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033692
CCc1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324845292	263.339	KSJYWXUMEPBNHM-YVMONPNESA-N	00000000100100000001000010000000000000000000000000000000	25-01-033693
CC(c1nnc2n1CCC2)NC(=O)C1(N)CCCC1	PC-id_60868315,EMOLS-id_302702652	263.339	JJWIZEXAVUNRKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033694
CC([C@@H]1NCCN(C1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319352884	263.339	RYXOEPLHSMXCKM-JHJMLUEUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033695
CCCN1CCC(C1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319382140	263.339	RLUKZWQNESJJLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033696
C[C@@H]1CNC[C@H]1C(=O)NC(c1nnc2n1CCC2)C	PC-id_105572085	263.339	SUMWNTVKBUTERR-RCAUJQPQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033697
C[C@@H]1CNC[C@H]1C(=O)N(Cc1nnc2n1CCC2)C	PC-id_105573228	263.339	FFAWRWFMRWVIJY-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033698
C[C@H](NC(=O)NC1CCCC1)c1nnc2n1CCC2	PC-id_97211815,ZINC22_95394014	263.339	GDLNDJFSCXBTPL-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-033699
C[C@@H](NC(=O)NC1CCCC1)c1nnc2n1CCC2	PC-id_97211816,ZINC22_95394015	263.339	GDLNDJFSCXBTPL-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033700
CCN1CCCC1CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318921920	263.339	XSEAVFRGAZBBCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033701
CCN(CC1CC1)C(=O)NCc1nnc2n1CCC2	MCULE-9157896239,EMOLS-id_45649426,PC-id_71931599,ZINC22_70057116	263.339	NMOSGFPYHXMQST-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033702
CN1CCCC[C@H]1C(=O)NC1CC(n2c1ncn2)C	MCULE-1211660419,EMOLS-id_320127943	263.339	GFYMWLHOHGQEDQ-ILDUYXDCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033703
CN1CCN(CC(C1)C(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_316578118	263.339	JCFNQHCACNSZGS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033704
CNC1CC(C1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_317929818	263.339	LAJCTKQIIWHBAF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033705
CNC1CC(C1)C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_317952891	263.339	ZPCISWDMOLTTRN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033706
CN(C1CCCN(C1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319456197	263.339	BCKMTOLDWZCLQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033707
CN(C(C1CC1)CNC(=O)C1NCc2c1c[nH]n2)C	MCULE-9380591750,EMOLS-id_320128519	263.339	ZPOLAONKBFFDCS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033708
n12nc(nc1sc(=Cc1cccs1)c2=O)CC	MCULE-1881484915	263.339	DTJCYFDMUIWLOG-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-033709
n12nc(nc1sc(=Cc1ccsc1)c2=O)CC	MCULE-2423611937	263.339	KSJYWXUMEPBNHM-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-033710
NCC1(CCC1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_115447465	263.339	AECDMJWBNIXOMH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033711
NCC1(CCC1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_115448119	263.339	FUSUMLOVVSRZLR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033712
NCCC1CCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319861764	263.339	GDWLZIRLQXFZRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033713
NCCC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_320238084,MCULE-5891302218	263.339	LPSYRHCTOLIKJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033714
O=C1CCCN1CCCNC1CC(n2c1ncn2)C	EMOLS-id_279081364	263.339	GNYURBAGGFGNJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033715
O=C1NCCN(C1)CCNC1CC(n2c1ncc2)C	EMOLS-id_319762472	263.339	RUEOPDAIFCTDOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033716
O=C(C1CCCCN1)NC(c1nnc2n1CCC2)C	EMOLS-id_302699042,MCULE-8028953186,PC-id_43698110	263.339	JGMFJBKSSINQHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033717
O=C(C1NCc2c1c[nH]n2)NCC1(N)CCCCC1	EMOLS-id_319381534	263.339	JCGOEHINAPKZLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033718
O=C(C1NCc2c1c[nH]n2)NCCC1CCCNC1	EMOLS-id_319536828	263.339	GOHJNCAUXYJKBK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033719
O=C(C1NCC(C1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_319660204	263.339	QLLSOEHLFLMAAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033720
O=C(c1n[nH]c2c1CCC2)NCCN1CCNCC1	EMOLS-id_301574286,MCULE-1954162211,PC-id_119445029	263.339	RGGZMEVAPBAWNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033721
O=C(C(C1CNC1)C)NC(c1nnc2n1CCC2)C	PC-id_116675108	263.339	NVBMTLZIHWHNKM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033722
O=C(C(C1CNC1)C)N(Cc1nnc2n1CCC2)C	PC-id_116676587	263.339	SIXOEZZYRYSZBA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033723
O=C([C@H]1CCCCN1)NC(c1nnc2n1CCC2)C	PC-id_103813439	263.339	JGMFJBKSSINQHK-QVDQXJPCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033724
O=C([C@@H]1CCCCN1)NC(c1nnc2n1CCC2)C	PC-id_103813441,MCULE-8660148471,EMOLS-id_302666860	263.339	JGMFJBKSSINQHK-AXDSSHIGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033725
O=C(N1Cc2c(C1)c(n[nH]2)C(C)C)N1CCNCC1	SCHEMBL17229870,PC-id_118489387	263.339	HECNBLIHCIAMNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033726
O=C(N1CCC(C1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_102380335	263.339	CASKRVCBJQDNOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033727
O=C(N1CCCC1(C)C)NCc1nnc2n1CCC2	EMOLS-id_102492396	263.339	RTMSTERSSBHFHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033728
O=C(N1CCCCCC1)NCc1n2CCCc2nn1	PC-id_52216081,EMOLS-id_102373344	263.339	CKEBNOUBVSPEOQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033729
O=C(N1C[C@@H](CCC1)C)NCc1n2CCCc2nn1	PC-id_52216070	263.339	SJIPVBCVQXIXHI-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033730
O=C(N1C[C@H](CCC1)C)NCc1n2CCCc2nn1	PC-id_52216071	263.339	SJIPVBCVQXIXHI-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-033731
O=C(N1CCn2c1nsc2=S)c1ccccc1	NSC732631,PC-id_10999898	263.339	WIHZHHYOMDAKLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033732
O=C(NC1CCCC1)NC(c1n2CCCc2nn1)C	MCULE-9224498230,EMOLS-id_48231006,PC-id_75370119	263.339	GDLNDJFSCXBTPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033733
O=C(NC1CCCCC1)NCc1n2CCCc2nn1	PC-id_52376197	263.339	TVIIYEIQCQVZFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033734
O=C(NC(c1n2CCCc2nn1)C)C1CCCNC1	PC-id_43698112	263.339	UIVQLRQLNUXFPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033735
O=C(N(Cc1n2CCCc2nn1)C)C1CCCNC1	PC-id_54872738	263.339	WSIRWBAXZWDHOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033736
O=C(NC(c1n2CCCc2nn1)C)C1(CCNC1)C	PC-id_55166869	263.339	CPWGIKFKJOKDPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033737
O=C(N(Cc1n2CCCc2nn1)C)C1(CCNC1)C	PC-id_63143376	263.339	WQKYGOFYDWUIIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033738
O=C(NC(c1n2CCCc2nn1)C)C1C(CNC1)C	PC-id_63714599	263.339	SUMWNTVKBUTERR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033739
O=C(N(Cc1n2CCCc2nn1)C)C1C(CNC1)C	PC-id_63716319	263.339	FFAWRWFMRWVIJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033740
O=C(NC(c1n2CCCc2nn1)C)C1CCNCC1	PC-id_43698109	263.339	GVDFZQNUFVCLDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033741
O=C(N(Cc1n2CCCc2nn1)C)C1CCNCC1	PC-id_54872736	263.339	NSDMATHJAIYTJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033742
O=C(N(Cc1n2CCCc2nn1)C)C1CC(N)CC1	PC-id_66008767	263.339	GHVAPNXFUULBFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033743
O=C(NC(c1n2CCCc2nn1)C)C1CC(N)CC1	PC-id_66032880	263.339	NCOCPWHCEGZBAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033744
O=C(NC(c1n2CCCc2nn1)C)C1C(NCC1)C	PC-id_79389141	263.339	IHDFLAJQYQOZQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033745
O=C(N(Cc1n2CCCc2nn1)C)C1C(NCC1)C	PC-id_79389252	263.339	WEZWMFDHQHHUJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033746
O=C(N(Cc1n2CCCc2nn1)C)C1C(N)CCC1	PC-id_64822235	263.339	ZQYGXUVOBKAPTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033747
O=C(NC(c1n2CCCc2nn1)C)C1C(N)CCC1	PC-id_64822932	263.339	MNMOFRPCHUAZQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033748
O=C(N(Cc1n2CCCc2nn1)C)C1(NCCC1)C	PC-id_64383546	263.339	UCLKQHKIYUMRHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033749
O=C(NC(c1n2CCCc2nn1)C)C1(NCCC1)C	PC-id_64384918	263.339	IEMUGSQUUILQBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033750
O=C(N(Cc1n2CCCc2nn1)C)C1NCCCC1	PC-id_54872737	263.339	YABHMLDVTPBCPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033751
O=C(N(Cc1n2CCCc2nn1)C)C1(N)CCCC1	PC-id_54872822	263.339	SSMDLQMUZQFYNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033752
O=C(N(Cc1n2CCCc2nn1)C)CC1CCNC1	PC-id_65954522	263.339	GZELXCZHLZWVKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033753
O=C(NC(c1n2CCCc2nn1)C)CC1CCNC1	PC-id_65979033	263.339	MUBZKUWLSYXTPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033754
O=C(N(Cc1n2CCCc2nn1)C)CC1NCCC1	PC-id_61364467	263.339	RZBJAOZCJPIRLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033755
O=C(NC(c1n2CCCc2nn1)C)CC1NCCC1	PC-id_61370793	263.339	XVKIRUUQPZIFTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033756
O=C(NC(c1n2CCCc2nn1)C)CC1(N)CCC1	PC-id_79851590	263.339	KVUOHUOFHDLACQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033757
O=C(N(Cc1n2CCCc2nn1)C)CC1(N)CCC1	PC-id_79854700	263.339	BSIPDRWCZLBQFF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-033758
O=C(N(Cc1n2CCCc2nn1)C)CCNC1CC1	PC-id_54872823	263.339	ITIGFJXCCHBHRC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033759
O=C(NC(c1n2CCCc2nn1)C)CCNC1CC1	PC-id_60866190	263.339	FPPTYTUHPUWATL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033760
O=C(NC(c1n2CCCc2nn1)C)CC(N)C1CC1	PC-id_81991373	263.339	WLMNVWQFJHUWML-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033761
O=C(N(Cc1n2CCCc2nn1)C)CC(N)C1CC1	PC-id_81992913	263.339	ZNMYCYZWJWKUEG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033762
O=C(NC(c1n2CCCc2nn1)C(C)C)NCC=C	PC-id_60277003	263.339	OQRBTBBVHVPGQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033763
O=C(NC(c1n2CCCc2nn1)C)[C@@H]1CCCNC1	PC-id_81123166	263.339	UIVQLRQLNUXFPO-QVDQXJPCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033764
O=C(NC(c1n2CCCc2nn1)C)[C@H]1CCCNC1	PC-id_81124005	263.339	UIVQLRQLNUXFPO-AXDSSHIGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033765
O=C(N(Cc1n2CCCc2nn1)C)[C@H]1CCCNC1	PC-id_81128991	263.339	WSIRWBAXZWDHOD-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-033766
O=C(N(Cc1n2CCCc2nn1)C)[C@@H]1CCCNC1	PC-id_81129218	263.339	WSIRWBAXZWDHOD-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033767
O=C(N(Cc1n2CCCc2nn1)C)C(N)(C1CC1)C	PC-id_54872821	263.339	JSTYKYYTVPESAK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033768
O=C(NC(c1n2CCCc2nn1)C)C(N)(C1CC1)C	PC-id_60868251	263.339	NFERPRSVDGKEQD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033769
O=C(N(Cc1n2CCCc2nn1)C)CNCC1CC1	PC-id_54872810	263.339	RJRRZPUEQYOHAU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033770
O=C(NC(c1n2CCCc2nn1)C)CNCC1CC1	PC-id_60866191	263.339	CEOCTRQPCGEPEC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033771
O=C(N(Cc1nnc2n1CCC2)C)[C@@H]1CCCCN1	PC-id_93373685	263.339	YABHMLDVTPBCPI-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-033772
O=C(N(Cc1nnc2n1CCC2)C)[C@H]1CCCCN1	PC-id_93373686	263.339	YABHMLDVTPBCPI-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033773
C1n2c(n[nH]c2=S)/C(=NNc2ccccc2)/S1	PC-id_136756153	263.342	DYPRNGKZLOEGND-UKTHLTGXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033774
c12ccsc1C(=O)CC2NC(=O)C1CCCCC1	EMOLS-id_42973421,MCULE-9512146042,PC-id_3713674	263.355	IPQDIOQIZWKBMF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033775
CC1CN(CCC1=O)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102279978,PC-id_113592826	263.355	SDCGMECCFCPXCY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033776
Clc1sc2CCC(Nc3cc(O)ccc3)c2c1	PC-id_81251594	265.758	XVXIKNASFZHALG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035169
CC(C1CCC1)n1c(c2c(=C)sc(=C)c2c1O)O	PC-id_90731423	263.355	DVFSYPGBNINXDN-UHFFFAOYSA-N	00001000100000000000000010000000000000000000000000000000	25-01-033777
C=CCC1(O)CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_319140233	263.355	FNUSXGCKEHPCFB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-033778
CC/C=C(/NC(=O)c1c(C)sc2c1CCC2)C=O	PC-id_143679424	263.355	QRRPTEUBEUDWDD-BJMVGYQFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033779
C=CO/C(=CC)/C(=O)Nc1sc2c(c1C)CCC2	PC-id_143029588	263.355	HIXBPFCGRSERMF-WCIBSUBMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033780
COCc1ccc(o1)C(c1sc2c(c1)CCC2)N	PC-id_113461719	263.355	RVQIAHYLMPPTDF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-033781
O=C1CCC(CC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_314516182,PC-id_43652822	263.355	SPWKQBATDLYJHR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033782
O=C1C[C@H](NC(=O)C2CCCCC2)c2ccsc12	PC-id_40822747,ZINC22_8782199	263.355	IPQDIOQIZWKBMF-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-033783
O=C1C[C@@H](NC(=O)C2CCCCC2)c2ccsc12	ZINC22_8782198,PC-id_40822746	263.355	IPQDIOQIZWKBMF-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033784
OCc1ccc(o1)CNCc1sc2c(c1)CCC2	EMOLS-id_314608016,PC-id_64591787	263.355	BRHCINGZFYFWNI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-033785
OC[C@H]1C=C[C@H](C1)NC(=O)c1sc2c(c1)CCC2	PC-id_112340501	263.355	IMINKTKGSJHSJU-GXSJLCMTSA-N	00000011100000000000000010000000000000000000000000000000	25-01-033786
s1c2c(CCC2)cc1CNCC(O)c1occc1	PC-id_55136099	263.355	ZOOGDOWNVQJXLR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-033787
s1c(C(N)c2c3CCCc3oc2COC)ccc1	PC-id_83610081	263.355	HPGHCFOERZCILN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033788
s1c(C(=O)N2CC(O)(C3CC3)C2)cc2c1CCC2	PC-id_65941850	263.355	YRVYBCXGEOENOI-UHFFFAOYSA-N	00101010100000000000100010000000000000000000000000000000	25-01-033789
c1(C(=O)NC2CC2)c2CSCc2nn1CC1CC1	MCULE-5686343090,EMOLS-id_324400720	263.359	BKTWDDWXMHJVIY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033790
Cc1conc1CNCCc1sc2c(n1)CCC2	EMOLS-id_319555977	263.359	LNPIBHGFYPDIFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033791
CCC(CC(=O)Nc1sc2c(c1C#N)CCC2)N	PC-id_81976904,EMOLS-id_260367923	263.359	ZXNAAZNZIAFTDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033792
CCC[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N	PC-id_107569344	263.359	LMARFZRTLLHVBD-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-033793
CCC[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N	PC-id_107569345	263.359	LMARFZRTLLHVBD-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033794
CC(C)[C@H](N)C(=O)Nc1sc2CCCc2c1C#N	PC-id_61258231,EMOLS-id_314060254,MCULE-1941031857	263.359	CLQASQDZGPVFET-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-033795
CC(C)C(N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_314059998,PC-id_61259492,MCULE-4443706645	263.359	CLQASQDZGPVFET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033796
CCCC(N)C(=O)Nc1sc2CCCc2c1C#N	PC-id_61260032,MCULE-7239155911,EMOLS-id_315064470	263.359	LMARFZRTLLHVBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033797
CCC(C)(N)C(=O)Nc1sc2CCCc2c1C#N	PC-id_79805802,MCULE-7819808720,EMOLS-id_314952125	263.359	SKEJAOAXIXCRMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033798
C=C=CCNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_278129347	263.359	NDGUTGWWVGQUAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033799
CCC(C(=O)Nc1sc2c(c1C#N)CCC2)CN	EMOLS-id_315320401,PC-id_65229188	263.359	RYQTYVSPASTYAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033800
CCC(C(=O)Nc1sc2c(n1)CCC2)(C#N)CC	PC-id_61844335,EMOLS-id_314534108	263.359	OPRWKMAVXIGVJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033801
CCCn1nncc1C(c1sc2c(c1)CCC2)O	PC-id_113665133	263.359	VATYPDJSZHJEJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033802
CCCNCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_314140766,PC-id_60648320	263.359	VCRCSTWLJCWTCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033803
CCn1ncnc1CC(c1sc2c(c1)CCC2)O	PC-id_113663372	263.359	UMLOMKDRNVONNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033804
CCNCCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_62835749,EMOLS-id_314659632	263.359	LROIOXHHQADXMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033805
CNCCCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_61260213,EMOLS-id_314930186	263.359	NNDBODMXOBAPFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033806
CNCC(C(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_79201901,EMOLS-id_314682351	263.359	BOPXUZKUDSYQBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033807
COc1cnn(c1C(c1sc2c(c1)CCC2)N)C	PC-id_105046941	263.359	XPPPZJHLTHFPDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033808
C(=O)(Nc1sc2CCCc2c1C#N)CCCCN	PC-id_64045137,EMOLS-id_314276546,MCULE-9294926975	263.359	GEZCXYSFIXOMLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033809
n1c2CCCc2sc1CCNC(=O)C1C=CCN1	EMOLS-id_177398440,PC-id_122560389,MCULE-2761419461	263.359	VQRVLVWGWWBQMC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-033810
N#Cc1c(NC(=O)CCC(N)C)sc2c1CCC2	PC-id_64090471,EMOLS-id_314267601	263.359	JMMLBSFTWDEJKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033811
N#Cc1c(NC(=O)C(C(N)C)C)sc2c1CCC2	PC-id_104474465	263.359	KAEVHINSIUUEOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033812
N#Cc1c(NC(=O)CC(N)(C)C)sc2c1CCC2	PC-id_64676994,EMOLS-id_314623369	263.359	YRRIFHSTCSPCKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033813
N#Cc1c(NC(=O)[C@@H](C(C)C)N)sc2c1CCC2	EMOLS-id_315045558,PC-id_79012388	263.359	CLQASQDZGPVFET-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033814
N#Cc1c(NC(=O)CNC(C)C)sc2c1CCC2	EMOLS-id_314101940,PC-id_60641025	263.359	OLMPODJJCHWVDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033815
N#Cc1c(sc2c1CCC2)NC(=O)C(CN)(C)C	PC-id_115426629,EMOLS-id_315623674	263.359	AUHFEGWCUZQMSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033816
N#Cc1c(sc2c1CCC2)NC(=O)C(NC)(C)C	PC-id_62847658,EMOLS-id_314206273	263.359	ZZJYQNKGCSTKNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033817
NCCC(C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_260448229,PC-id_80543753	263.359	BMINFJFLPCFCQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033818
NCC(CC(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_81087608,EMOLS-id_260637809	263.359	WOINADRPMHWBKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033819
N#CCCNC(=O)CNCc1sc2c(c1)CCC2	PC-id_61207796,EMOLS-id_314517382	263.359	TVKCVULTMVCZMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033820
O=C(NCCc1nc2c(s1)CCC2)[C@@H]1C=CCN1	ZINC22_534591471	263.359	VQRVLVWGWWBQMC-JTQLQIEISA-N	00000011100000000001000010000000000000000000000000000000	25-01-033821
O=C(NCCc1nc2c(s1)CCC2)[C@H]1C=CCN1	ZINC22_534591472	263.359	VQRVLVWGWWBQMC-SNVBAGLBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-033822
Cc1csc(n1)CNC(c1nnc2n1CCC2)C	PC-id_115633655	263.362	CEVMQVGQDGVTOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033823
Cc1ncsc1CCNC1CC(n2c1ncn2)C	EMOLS-id_319890426,MCULE-5330349606	263.362	BABBAEZUIAEKTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033824
Cc1nnc([nH]1)C(NCc1sc2c(n1)CCC2)C	EMOLS-id_278245998	263.362	DVZXBMQJZSPFHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033825
Cc1scc(n1)CCNC1CC(n2c1ncn2)C	EMOLS-id_316570349	263.362	NIQTVNJEUCQIMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033826
CC(c1nccs1)CNC1CC(n2c1ncn2)C	EMOLS-id_319031546	263.362	FSJSDAAUVWJJQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033827
CC(c1nnc2n1CCC2)NC(c1cncs1)C	PC-id_116201360	263.362	OVJWIBHRPDNGNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033828
CC(c1nnc2n1CCC2)NC(c1cscn1)C	PC-id_116201359	263.362	NVSHBTDPPNGZPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033829
CCc1nnc(NCc2c3c(nn2C)CCC3)s1	EMOLS-id_316934142,ZINC22_902037745,MCULE-9224736146	263.362	DMCUHEWAHYWGKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033830
CC(c1nsc(n1)NC1CC(n2c1ncc2)C)C	MCULE-8371904612,EMOLS-id_318339391	263.362	VWGGYDHSIDUYNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033831
CNC(c1sc2c(c1)CCC2)Cc1nnn(n1)C	PC-id_107065103	263.362	GHJNRWDCVCEDRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033832
NNC(c1sc2c(c1)CCC2)Cc1ncnn1C	PC-id_105316490	263.362	TVEBEAPEQHOIMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033833
NNC(c1sc2c(c1)CCC2)Cc1nnn(c1)C	PC-id_107066728	263.362	QZFUCNIWNDGFHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033834
s1cc(nc1C)CNC(c1n2CCCc2nn1)C	PC-id_43748175	263.362	QYGXZQWEUJJYAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033835
s1c(CNC(c2n3CCCc3nn2)C)cnc1C	PC-id_54868563	263.362	LEOMOUGLXOMNKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033836
s1c(CNC(c2n3CCCc3nn2)C)c(nc1)C	PC-id_65719790	263.362	MXXYHBWRCTZHCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033837
s1c(CNC(c2n3CCCc3nn2)C)c(N)cc1	PC-id_66384958	263.362	KXYQWKXKETXMGW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-033838
s1c(ncc1)C(NC(c1n2CCCc2nn1)C)C	PC-id_64993139	263.362	GSPANADUPBETQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033839
CCCCCCCCN1Cc2c(C1=O)c(oc2C)C	SCHEMBL18325060	263.375	QPXPDFQSFBUOQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033840
c1(C(CN)N2CCOCC2)cn(c2CC(C)Cc12)C	MCULE-8680579084,EMOLS-id_324750540	263.378	XDMAIZKYGPHNEQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033841
Cc1csc(n1)CC(=O)c1sc2c(c1)CCC2	PC-id_115586848	263.378	XYORAZKJOOAVIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033842
Cc1scc(n1)CC(=O)c1sc2c(c1)CCC2	PC-id_114979476	263.378	ZTUCKPHRLLQNBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033843
CC(C1CCCOC1)n1nc2CCC(C)c2c1CN	MCULE-6441794425,EMOLS-id_330999217	263.378	NZPZFALFLJNTDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033844
CC(C1CCOCC1)n1nc2CCC(C)c2c1CN	MCULE-8561979764,EMOLS-id_330998705	263.378	OOBGWGKOBKUKAY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033845
CC(CC1OCCC(C1)NC1CCn2c1ncc2)C	MCULE-5378337391,EMOLS-id_316917356	263.378	NLBDXCCTTPTULX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033846
OC1(CCCC1)C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_101362444	263.378	QGRKHEOJAAGSEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033847
O=C(c1cccs1)NCc1sc2c(c1)CCC2	PC-id_61948069,EMOLS-id_314453518	263.378	ODSJAIHJVXGXOH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033848
s1c2CCCc2cc1C(=O)NCc1sccc1	PC-id_29213519	263.378	JZFGIEJBICVCJX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033849
c1(C(=O)NCCCCCCCC)c2CCCc2[nH]n1	MCULE-5105565784,EMOLS-id_334989152	263.379	MUGUIZDGZPHUCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033850
c1(C(=O)N(CCCC)CCCC)c2CCCc2[nH]n1	MCULE-6511901529,EMOLS-id_334729198	263.379	YIVLMTDPPNLBNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033851
c1(C(=O)NC(CCCCC)CC)c2CCCc2[nH]n1	MCULE-7375184493,EMOLS-id_334973036	263.379	VFQCJYMSSREHAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033852
CC1CC(c2n1ccn2)NCC1(O)CCCCCC1	EMOLS-id_98849428	263.379	CAUMGIHNKKWXMN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033853
CC(c1cc2n(n1)CCC2)NCC1(O)CCCCC1	EMOLS-id_101837698	263.379	WJGWPOISDDGWCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033854
CC(C)C[C@@H]1C[C@@H](N[C@@H]2CCn3ccnc23)CCO1	ZINC22_453183119	263.379	NLBDXCCTTPTULX-BFHYXJOUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033855
CC(C)C[C@@H]1C[C@H](N[C@H]2CCn3ccnc23)CCO1	ZINC22_453183120	263.379	NLBDXCCTTPTULX-MCIONIFRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033856
CC(C)C[C@@H]1C[C@H](N[C@@H]2CCn3ccnc23)CCO1	ZINC22_453183121	263.379	NLBDXCCTTPTULX-MGPQQGTHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033857
CC(C)C[C@@H]1C[C@@H](N[C@H]2CCn3ccnc23)CCO1	ZINC22_453183122	263.379	NLBDXCCTTPTULX-MJBXVCDLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033858
CN(C)Cc1c2COCc2nn1CC1CCCCC1	MCULE-4772298038,EMOLS-id_324403033	263.379	GAOHNGUUXPZLBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033859
OC1CCCCC1(C)CNC1CC(n2c1ncc2)C	EMOLS-id_101411593	263.379	OEZRBHMNHKTBSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033860
OC(C1CCCCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_101405053	263.379	KLGONTHAIVNDGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033861
OCCC(C1CCCCC1)NC1CCn2c1ncc2	EMOLS-id_318197960	263.379	SXWMMXGOZIQOCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033862
OCCCC1(C)CCCN1Cc1cnc2n1CCC2	EMOLS-id_318196548	263.379	GQFDUJCAAWYTHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033863
OC[C@@H]1CC[C@H](CC1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_101840032	263.379	LWPSJAMCIWZTOO-VLXSWZPNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033864
Cc1sc2c(c1)N(CN2)SCc1ccccn1	PC-id_17994087,SCHEMBL10927292	263.382	CKXWTYAVVDZGLW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033865
N1(CCC(CC1)CNC(c1n2CCCc2nn1)C)C	PC-id_55100417	263.382	YKHIHKJBYHWCHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033866
N1(C(CCCC1)CNC(c1n2CCCc2nn1)C)C	PC-id_62657538	263.382	SYOOTXGIGJHOCA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033867
N1(CC(CCC1)CNC(c1n2CCCc2nn1)C)C	PC-id_62657728	263.382	IRVHUUJQOXSDNI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033868
N1(CCC(NC(c2n3CCCc3nn2)C)CC1)CC	PC-id_43748073	263.382	CDMCABGLRLWKCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033869
N1(C(CC(NC(c2n3CCCc3nn2)C)CC1)C)C	PC-id_81614711	263.382	LIEGIBLKSYARKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033870
N1C(CC(NC(c2n3CCCc3nn2)C)C)CCC1	PC-id_79541711	263.382	MMQKKGSGFPZYCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033871
N1(CC(NC(c2n3CCCc3nn2)C)CC1)C(C)C	PC-id_61979315	263.382	LHNZZBFTAPISCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033872
N(C1C(CCCC1)CN)C(c1n2CCCc2nn1)C	PC-id_65840127	263.382	CLYAUJJJESDIPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-033873
N(C1CCCN(CC1)C)C(c1n2CCCc2nn1)C	PC-id_65070684	263.382	RJYYNESVSLNYDZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-033874
CC1CC(C)CN(C1)C(=O)c1sc2c(c1)CCC2	CHEMBL1577391,ChEMBL-DNDi_CHEMBL1577391,EMOLS-id_3349130,MCULE-9998578131,PC-id_4963136	263.398	HWFUTXDMMKGVFB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033875
CC1=NC(=O)c2c1c(sc2C(C)(C)C)C(C)(C)C	PC-id_145552832	263.398	UMQFPVRAVHPQEP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-033876
CCCCC(CC)CN1C(=C)c2cscc2C1=O	SCHEMBL15976242,PC-id_90360336	263.398	OBOXVDDYIOISDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033877
CCCNC(c1sc2c(c1)CCC2)C1=CCCO1	PC-id_102653168	263.398	LGOGMLBJBQAIBW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-033878
C[C@H]1C[C@@H](C)CN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_2315040,ZINC22_13133626,CoCoCo_3637640	263.398	HWFUTXDMMKGVFB-PHIMTYICSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033879
C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_2315041,ZINC22_3180358,CoCoCo_3637641	263.398	HWFUTXDMMKGVFB-GHMZBOCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033880
C[C@H]1C[C@H](C)CN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_2315042,CoCoCo_3637639,ZINC22_3180360	263.398	HWFUTXDMMKGVFB-QWRGUYRKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033881
CCNC(c1sc2c(c1)CCC2)C1=CCCCO1	PC-id_113720507	263.398	MIGZKPCJQIEJCB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-033882
CCNC(c1sc2c(c1)CCC2)C1=COCCC1	PC-id_105033537	263.398	CSBVVRIEDQEARD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-033883
O=C(C1C(C1(C)C)(C)C)Nc1sc2c(c1)CCC2	PC-id_141226976	263.398	WTJIUXADAUJPOX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-033884
O=C(c1sc2c(c1)CCC2)NC1CCC(C1)(C)C	PC-id_115881776	263.398	JVABNZCMELGHAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033885
s1c2c(CCC2)cc1C(=O)NC1C(CCCC1)C	PC-id_47106172	263.398	UJYOLXAOMVABKX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033886
s1c2c(CCC2)cc1C(=O)NC1CCCCCC1	PC-id_9268476	263.398	FVDHAZZOAKBPMX-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-033887
s1c2c(CCC2)cc1C(=O)N[C@H]1[C@@H](CCCC1)C	PC-id_9272819	263.398	UJYOLXAOMVABKX-ZYHUDNBSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033888
s1c2c(CCC2)cc1C(=O)N[C@H]1[C@H](CCCC1)C	PC-id_9272823	263.398	UJYOLXAOMVABKX-CMPLNLGQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033889
s1c2c(CCC2)cc1C(=O)N[C@@H]1[C@@H](CCCC1)C	PC-id_9272826	263.398	UJYOLXAOMVABKX-PWSUYJOCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033890
s1c2c(CCC2)cc1C(=O)N[C@@H]1[C@H](CCCC1)C	PC-id_9272829	263.398	UJYOLXAOMVABKX-JQWIXIFHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033891
N=C(c1c(N)sc2c1CCC2)NC1CCCCC1	SCHEMBL19523761	263.402	XGMKCDJZRWCKPP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033892
s1c2c(CCC2)cc1/C(=N/C1CCCCC1)/NN	PC-id_61362928	263.402	JOLIXBFYMPRYOA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033893
s1c2CCCc2cc1C/N=C(/NC1CCCC1)N	PC-id_62368397	263.402	CGXDPXOXKNBZHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033894
Cc1ccc(s1)CNCc1sc2c(c1)CCC2	PC-id_61207214,EMOLS-id_38138555	263.421	PIHQSFAIOOTSDM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033895
Cc1ccsc1CNCc1sc2c(c1)CCC2	PC-id_61209128,EMOLS-id_38138515	263.421	HMDWKHMUVMSEQE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033896
C(Cc1ccsc1)NCc1sc2c(c1)CCC2	PC-id_64084047,EMOLS-id_40234611	263.421	UQBVEMURSVXQKG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033897
CCNC(c1sc2c(c1)CCC2)c1ccsc1	PC-id_113668817	263.421	DKNZRNSCIHNXFR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033898
CNC(c1ccsc1C)c1sc2c(c1)CCC2	PC-id_102840685	263.421	RIOFYABQIMXZGM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033899
CNC(c1sc2c(c1)CCC2)c1csc(c1)C	PC-id_113669053	263.421	KMEBTSLCKJYHIH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033900
NC(c1sc2c(c1)CCC2)CCc1cccs1	PC-id_115860769	263.421	ZGOZLNKFVMXPMG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033901
N(Cc1sc2c(c1)CCC2)CCc1cccs1	PC-id_63776046,EMOLS-id_40026497	263.421	XVBHNQJSFKBRSX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033902
NC(c1sc2c(c1)CCC2)CCc1ccsc1	PC-id_113667398	263.421	RNGJHMDROKJDBL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033903
s1c2c(CCC2)cc1C(N)c1c(sc(c1)C)C	PC-id_43464510	263.421	UWPVBBPHQJUORW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033904
s1c2c(CCC2)cc1C(N)c1sc(cc1)CC	PC-id_43464351	263.421	GLMFQVPQBMZEHA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033905
s1c2c(CCC2)cc1C(N)c1sc(cc1C)C	PC-id_81156764	263.421	JCQNSOUAZFCPIC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033906
s1c2c(CCC2)cc1CNC(c1ccsc1)C	PC-id_62090346	263.421	USAAIRRHBKYVKX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033907
s1c2c(CCC2)cc1C(NC)c1sc(cc1)C	PC-id_43480367	263.421	VJTPVNARISQNSE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033908
s1c2c(CCC2)cc1C(NC)c1sccc1C	PC-id_55006577	263.421	DLUPLJKQBIQMCL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033909
s1c2c(CCC2)cc1CNC(c1sccc1)C	PC-id_61207958	263.421	LADFTKKUUYWHLP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033910
s1c2c(CCC2)cc1C(NC)Cc1ccsc1	PC-id_61078204	263.421	VXTQOOAYGJJIOU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033911
s1c2c(CCC2)cc1C(NCC)c1sccc1	PC-id_43490520	263.421	PHPBAVXCILTOKF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033912
s1c2c(CCC2)cc1C(NC)Cc1sccc1	PC-id_61065860	263.421	POZSEVPUEXJJRP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-033913
CC(N1C(c2c(C1C(C)(C)C)nc[nH]2)C(C)(C)C)C	SCHEMBL13012539,PC-id_59617036	263.422	DEQBHXXMWKWAFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033914
C1CCC(CC1)CCNCc1sc2c(c1)CCC2	PC-id_80399616,EMOLS-id_315467443	263.441	VQVAJEMFLYKFIC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033915
C1CCCC(CC1)CNCc1sc2c(c1)CCC2	EMOLS-id_314963660,PC-id_65911818	263.441	VOXGOBZAKBWMEH-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-033916
C1CCCC(CCC1)NCc1sc2c(c1)CCC2	PC-id_63452452,EMOLS-id_314924573	263.441	RZFUBCXQJZZMEP-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-033917
CC1CC(CC1NCc1sc2c(c1)CCC2)(C)C	PC-id_106662373	263.441	URKKTNDNXQADQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033918
CC1CC(CCC1C)C(c1sc2c(c1)CCC2)N	PC-id_113668883	263.441	MHJKQWXJCMLXSM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033919
CC1CCC(CC1)CNCc1sc2c(c1)CCC2	PC-id_65906759,EMOLS-id_314664900	263.441	KTACYBBRCHXQPJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033920
CC1CC(C)CC(C1)C(c1sc2c(c1)CCC2)N	PC-id_113668829	263.441	OZPFNIRMIQGMLT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033921
CC1(C)CCC(CC1)NCc1sc2c(c1)CCC2	EMOLS-id_315286205,PC-id_64417571	263.441	AMJODIUVQFTMCT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033922
CCC1CCC(CC1)C(c1sc2c(c1)CCC2)N	PC-id_104990795	263.441	HIZROHGRCNZOFF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033923
CCC1CCCC(C1)C(c1sc2c(c1)CCC2)N	PC-id_113669217	263.441	BNVFVGVCCSIOHU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033924
CCC1CCCCC1C(c1sc2c(c1)CCC2)N	PC-id_115862509	263.441	XWOIJOYRUHXWRG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033925
CCC1CCC(CC1)NCc1sc2c(c1)CCC2	PC-id_55192360,EMOLS-id_315266872	263.441	QDAHGFWHXHHSQI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033926
C=CCCCCCC(c1sc2c(c1)CCC2)NC	PC-id_107011593	263.441	BFQAHLXWJHLMTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033927
CCCNC(c1sc2c(c1)CCC2)C1CCCC1	PC-id_113658623	263.441	VZIAZKJGQWRBHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033928
CCCNC(c1sc2c(c1)CCC2)CC1CCC1	PC-id_113668312	263.441	AMPGGMANLUGIAO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-033929
CCCNC(c1sc2c(c1)CCC2)CCC1CC1	PC-id_104994871	263.441	MKTDLNQQNCDFHR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-033930
CCCNC(c1sc2c(c1)CCC2)CCCC=C	PC-id_104986786	263.441	PUVXFMDXJJVKHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033931
CCCNC(c1sc2c(c1)CCC2)CC(=C)CC	PC-id_105005841	263.441	WRYWIMKNNSMPHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033932
CCCNC(c1sc2c(c1)CCC2)CCC(=C)C	PC-id_105039361	263.441	TUKVCSWJJDBGHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033933
CCNC(c1sc2c(c1)CCC2)C1CCCCC1	PC-id_114981660	263.441	OFBZTXOLDLIMFX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033934
CCNC(c1sc2c(c1)CCC2)CC1CCCC1	PC-id_115847475	263.441	YZKBMYJYSLSHPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033935
CNC(c1sc2c(c1)CCC2)C1CCCC(C1)C	PC-id_104991871	263.441	SPBYHLKWWSIMRA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033936
CNC(c1sc2c(c1)CCC2)C1CCC(CC1)C	PC-id_113668719	263.441	GFFHZAYSFSZPMY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033937
CNC(c1sc2c(c1)CCC2)C1CCCCCC1	PC-id_113672395	263.441	UWOIQPYZRVVOPC-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-033938
s1c2c(CCC2)cc1CNCC1CC(CCC1)C	PC-id_65922045	263.441	OIWWSNJUHIKYFF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033940
s1c(CNC2C(CCCC2C)C)cc2c1CCC2	PC-id_63452496	263.441	ZFCKXIBPTZTYIL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033941
s1c(CNC2C(CCCC2)CC)cc2c1CCC2	PC-id_63863032	263.441	IOVNIWWABGKNQB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033942
s1c(CNC2CC(CCC2)CC)cc2c1CCC2	PC-id_64244184	263.441	SLSDHTUKAIRPSZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033943
s1c(CNC2CC(CCC2)(C)C)cc2c1CCC2	PC-id_64467444	263.441	PARRUCQXKHQKTR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033944
s1c(CNC2CC(C(CC2)C)C)cc2c1CCC2	PC-id_64745230	263.441	VRUOAZOBPUWKHB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033945
s1c(CNC2CC(CC(C2)C)C)cc2c1CCC2	PC-id_64751229	263.441	BUMSKQTUJFKSNF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033946
s1c(CNC2C(C(CCC2)C)C)cc2c1CCC2	PC-id_64760894	263.441	ZLIGNZVQXBDAOC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033947
s1c(CNC2C(CC(CC2)C)C)cc2c1CCC2	PC-id_64760895	263.441	VQTMWQOUOCQTLQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033948
s1c(CNC2C(CCC(C2)C)C)cc2c1CCC2	PC-id_64761093	263.441	LXIHAXIGYSRCGM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033949
s1c(CNC2C(CCCC2)(C)C)cc2c1CCC2	PC-id_79834972	263.441	UILJMOSZSBFZEG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033950
s1c(CNC2CCC(CCC2)C)cc2c1CCC2	PC-id_65080382	263.441	ROYJCDPCJZKMIM-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-033951
s1c(CNC(C2CCCCC2)C)cc2c1CCC2	PC-id_63452711	263.441	YJVGXILZXHLODZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-033952
Clc1ncccc1NC(=O)c1noc2CCCc12	PC-id_3353803	263.68	PWMSUMRRPHUZCT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033953
Clc1nc2S(=O)(=O)CCn2c1C(=O)NCC	PC-id_76313097	263.701	XDQVOYHCSZQDFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033954
c1cc(ccc1C=c1c(=O)sc2ncnn12)Cl	PC-id_90928284	263.703	LMTVWFYTHHUWGS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033955
Clc1ccc(cc1)/C=c
/sc2n(c1=O)ncn2	STOCK5S-89367,ZINC22_208262,EMOLS-id_206990981	263.703	YHCDUMYPZTZUJJ-WEVVVXLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033956
Clc1ccccc1/C=c/1sc2ncnn2c1=O	EMOLS-id_27019697,ZINC22_33161990,ChEMBL-DNDi_CHEMBL5629-0323	263.703	UDRACTNTONSWPL-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033957
Clc1ccccc1/C=c
/sc2ncnn2c1=O	ZINC22_208251,EMOLS-id_45963538	263.703	UDRACTNTONSWPL-WEVVVXLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033958
Clc1ccc(/C=c/2sc3ncnn3c2=O)cc1	EMOLS-id_3500592,CHEMBL241939	263.703	YHCDUMYPZTZUJJ-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033959
Clc1cccc(/C=c/2sc3ncnn3c2=O)c1	EMOLS-id_45964372,ZINC22_16732953,ChEMBL-DNDi_CHEMBL5629-0332	263.703	VDEZRJXGGACBRI-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033960
n12ncnc1sc(=Cc1ccc(cc1)Cl)c2=O	EMOLS-id_300036500,MCULE-6186649661	263.703	YHCDUMYPZTZUJJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033961
n12ncnc1sc(=Cc1ccccc1Cl)c2=O	MCULE-6969448593,EMOLS-id_9821236	263.703	UDRACTNTONSWPL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033962
n12ncnc1sc(=Cc1cccc(Cl)c1)c2=O	EMOLS-id_9062890,MCULE-7280823544	263.703	VDEZRJXGGACBRI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033963
O=c1/c(=C/c2ccccc2Cl)/sc2nncn12	ZINC22_13547539	263.703	XHDAGUUERGJYCM-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-033964
Cc1ccc(c(c1)Cl)OCc1nnc2n1CCC2	EMOLS-id_319324378	263.723	GAOHEVBASXVBPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033965
COc1ccc(c(c1)NC1CCn2c1ncc2)Cl	EMOLS-id_317967785,MCULE-9779360777	263.723	RTUYCZCMFHCPCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033966
CC(c1nnc2n1CCC2)Nc1ccncc1Cl	EMOLS-id_318015041	263.726	IWOIGOIVIBRPIX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-033967
CC1CC(C)(C)c2c(CS(=O)(=O)Cl)noc12	EMOLS-id_259608087,MCULE-5438118493	263.741	VKQXSEOPGCEWJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033968
Clc1ccc(C(=O)c2c3SCCn3cc2)cc1	PC-id_14289893	263.743	NNFCNKCCMAVLSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-033969
Clc1sc2S(=O)(=O)N=C(C(C)(C)C)c2c1	PC-id_21048509	263.764	KFEJVWIWAYFGJP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-033970
[Te]1c2c(scc2)C=C1C=O	PC-id_13198216	263.771	ADCPZVIHMOUUDR-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-033971
Clc1ccccc1C(c1sc2c(c1)CCC2)N	PC-id_113661489	263.786	ASEROAPOOMMQEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033972
Clc1cccc(c1)C(c1sc2c(c1)CCC2)N	PC-id_115811357	263.786	XVSXQFMQTWQEJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033973
Clc1ccc(C(N)c2sc3c(CCC3)c2)cc1	PC-id_43463940	263.786	AMKPMNBMWLOGJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033974
Clc1sc2c(c1)C(CC2)NCc1ccccc1	EMOLS-id_96810142,PC-id_81252767	263.786	BWPMQEKCOUQGLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033975
Clc1sc2CCC(Nc3ccc(cc3)C)c2c1	PC-id_81251497	263.786	VDXXBRARSXQVEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033976
Clc1sc2CCC(Nc3cc(ccc3)C)c2c1	PC-id_81251817	263.786	IVUVIZKYTIODFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033977
Clc1sc2CCC(Nc3c(cccc3)C)c2c1	PC-id_81251828	263.786	RGNWEGPKWTVENM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-033978
ClC(c1sc2c(CCC2)c1)Cc1ccncc1	PC-id_66461791	263.786	AVDZVNNWAKXDSF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-033979
ClC(c1sc2c(CCC2)c1)Cc1ncccc1	PC-id_66460977	263.786	GXODYQZCVNZQHF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-033980
CS(=O)CCNC1CCc2c1cc(s2)Cl	PC-id_116144209	263.807	ZTPJJOFSCZZBFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033981
C1CC2=C(C(=NN2C1)CO)I	EMOLS-id_324188986,PC-id_153525131	263.976	MXQNCCGVWQCENR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033982
CC1(C)Oc2n(C1)ncc2I	EMOLS-id_324016515	264.064	BSUUOZNOUXPZRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033983
Cc1nn2CCC(O)c2c1I	EMOLS-id_295587434	264.064	AOLHUUGKLOZAMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033984
CC1C(=CC2=CC=CN2C(F)F)C(=O)C3=NC=NN13	MCULE-7264904588,EMOLS-id_317014055,PC-id_154778906	264.082	RGPSEZSERFITIM-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-033985
c12C[Se]Cc1c([se]c2C)C	EMOLS-id_13729658,SPECS-id_AI-942/25034604,PC-id_4983251,MCULE-9467776279	264.085	BRRGNVBOYSSQNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033986
CCOC(=O)C(=O)C1=C2CCCN2C(=C1C)C(=O)[O-]	PC-id_153994234	264.088	NVQPTMNVDJBBGQ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-033987
CC1CC2=C(C1(F)F)N(N=C2C(F)F)CC(=O)C	PC-id_153569910	264.089	DBKXBZCXIQZIOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033988
C[C@H]1CC2=C(C1(F)F)N(N=C2C(F)F)CC(=O)C	PC-id_153569840	264.089	DBKXBZCXIQZIOP-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033989
O=Cc1[nH]c(c2c1CS(=O)(=O)C2)Br	PC-id_101065063	264.096	XSCTVJZPHCSHII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033990
CC(/C=C/C1=C2OCOC2=C(S1)/C=C/C(C)C)C	PC-id_163586442	264.118	GLWXOBZHLCIIKW-KQQUZDAGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033991
CC1(C2=NN(C(=C2CN1)NC(=O)C3CC3)C(=O)O)C	PC-id_161587644	264.122	WRSFOMNHSSOIMR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-033992
CC[C@@H]1CC(c2c1c(nn2C(C)C)C(F)F)(F)F	PC-id_163641569	264.125	IERWWKVBWZOXNP-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033993
Cc1cc2c(s1)CC(C2)I	SCHEMBL15576826,PC-id_90045965	264.127	DDXHGJWQJPPTSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033994
Cc1sc(c2c1CCC2)I	PC-id_138538795,SCHEMBL20892655	264.127	VCKPDQFMBGTSGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033995
CCCCOC1CC2=C(C1)NN=C2OC3=NNN=N3	PC-id_153815517	264.133	AFYOVIGRITXVSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033996
BrCCCn1nc2n(c1=O)CCS2	PC-id_57927197,SCHEMBL3524700	264.143	KUTXHVJEOXBMGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-033997
FCCNC1CCc2c1cc(s2)Br	EMOLS-id_262031163	264.158	QFBYEWYULJSDMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033998
C=C/C=C(c1[nH]c2c(c1C=C)CCC2)/Br	PC-id_142143221	264.161	YGWWCRXGMRXPCP-IZZDOVSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-033999
c1(C(=O)N)c2CSCc2sc1Br	EMOLS-id_331061803,MCULE-6529005075	264.163	UZXIJOZFNCHUOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034000
c1(C(=O)N)sc2CSCc2c1Br	MCULE-9814807807,EMOLS-id_330870851	264.163	PPHQPVBOIUXZMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034001
CCOC(=O)Cn1nc2c(c1C(F)(F)F)COC2	PC-id_71187414,SCHEMBL14488499	264.201	WFLOHBNRNQNRME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034002
CCOC(=O)Cn1nc(c2c1COC2)C(F)(F)F	SCHEMBL14487805,PC-id_71186996	264.201	HKVNSVYIARUXQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034003
FC(COC(=O)NCc1n2c(CCC2)nn1)(F)F	PC-id_47087501,ZINC22_57218432,EMOLS-id_32138783,MCULE-9934180424	264.204	FBFGYKVIXSHUAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034004
c12CSCc1sc(CNC)c2Br	MCULE-1360602476,EMOLS-id_330871107	264.206	AIKWGNKPPHMETL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034005
c1(CNC)c2CSCc2sc1Br	EMOLS-id_331062059,MCULE-7520285496	264.206	UEEASRQZSUBAOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034006
CC(C)n1c2c(c(n1)C(C)(F)F)C(CC2=O)(F)F	PC-id_90162245,SCHEMBL15723840	264.219	ASSMLZVJWGIDHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034007
c12ccsc1C(=NO)CC2NC(=O)C(F)(F)F	PC-id_3810653,MCULE-2119684606,EMOLS-id_42973666	264.224	CVVHQSWBHHBOPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034008
O=C(N[C@@H]1C/C(=NO)/c2sccc12)C(F)(F)F	ZINC22_100916297	264.224	CVVHQSWBHHBOPT-AZSLKFGTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034009
O=C(N[C@H]1C/C(=NO)/c2sccc12)C(F)(F)F	ZINC22_100916299	264.224	CVVHQSWBHHBOPT-YREIPCOHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034010
O/N=C/1CC(NC(=O)C(F)(F)F)c2ccsc12	EMOLS-id_45793311	264.224	CVVHQSWBHHBOPT-MKMNVTDBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034011
s1c2c([C@@H](NC(=O)C(F)(F)F)C/C/2=N/O)cc1	PC-id_5524271	264.224	CVVHQSWBHHBOPT-VEFBWQBRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034012
s1c2c([C@H](NC(=O)C(F)(F)F)C/C/2=N/O)cc1	PC-id_5524272	264.224	CVVHQSWBHHBOPT-WWJNSBFFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034013
Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1	PC-id_3236796,BindingDB-id_92022,BindingDB_PC-id_3236796,CHEMBL1510117,ChEMBL-DNDi_CHEMBL1510117	264.228	LRNPSGUAFBKGRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034014
Fc1cncc(c1C(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_319167245	264.231	BGSMYFWCWKCQPP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-034015
O=C(c1c(F)cncc1F)NC1CCn2c1ncc2	MCULE-4564169790,EMOLS-id_320095585	264.231	VDAZKRJZTYZPJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-034016
CCOC(=O)c1nn(c2c1C=CC2=O)CC(=O)OC	PC-id_144693659	264.234	QRRSHPYWYKPVDH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-034017
o1nc2CCCc2c1N(C(=O)OC=C)C(=O)OC=C	PC-id_58664487	264.234	VFURPZHXWOCHFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034018
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)Cn1cc(nn1)C	SCHEMBL19544902	264.241	RCVJSOTVJGVKBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034019
FC(c1[nH]nc2c1CCC2=Cc1ccccc1)(F)F	EMOLS-id_317367842,MCULE-2688308980,PC-id_4625854	264.246	ZVSXZGCEKVCKKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034020
C=C/C=C(C=C(C1COc2n1c(cn2)C(=O)O)/C)/F	PC-id_142091458	264.252	RGXDSIJHAYWQNX-CCMAPKILSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034021
S1Cc2c(noc2NC(=O)c2ccc(=O)oc2)C1	PC-id_49720107	264.257	VLOHIWIELONKBA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-034022
COc1nc(NCc2nnc3CCCn23)ncc1F	EMOLS-id_317334154,PC-id_135088395,ZINC22_1704314844,MCULE-4233622384	264.259	WZBQMADHIXVGCF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-034023
S1Cc2c(noc2NC(=O)C2N=NC(=O)C=C2)C1	PC-id_75355106	264.261	RFLMGAJOFXFZJT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-034024
S1Cc2c(noc2NC(=O)c2n[nH]c(=O)cc2)C1	PC-id_49720049	264.261	CJEYVEIWJILGMX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-034025
C[C@H]1[C@H](C(c2c1c(nn2C(C)C)C(F)F)(F)F)C	SCHEMBL20078941,PC-id_134443750	264.262	UXIHIFOCEMBYAM-NKWVEPMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034026
OC(=O)CC(c1cc2CCCc2s1)C(F)(F)F	MCULE-1180860141,EMOLS-id_313985347	264.264	IMZALVVVJJYSGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034027
FC(F)(F)C(=O)NCCc1nc2CCCc2s1	MCULE-6838632073,EMOLS-id_181140619,PC-id_110461280	264.267	ZDSQYAJDKHBGPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034028
c1(COc2ccc(cc2F)F)c2CCCc2nn1C	EMOLS-id_330485341,MCULE-8217601070,ZINC22_1848559763	264.271	IPJXBHVQPOHZGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034029
CC1CCc2c1c(O)nn2Cc1cccc(F)c1F	MCULE-7410154420,EMOLS-id_331022317	264.271	JYTWQOYLOJNOLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034030
CC1CCc2c1c(O)nn2Cc1ccc(F)cc1F	EMOLS-id_331020525,MCULE-7381903460	264.271	MVKYOFUAKIKFPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034031
CC1CCc2c1c(O)nn2Cc1ccc(F)c(F)c1	EMOLS-id_331020269,MCULE-5308820552	264.271	YKNCJUGYIHMUNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034032
CC1CCc2c1c(O)nn2Cc1cc(F)ccc1F	MCULE-6658180530,EMOLS-id_331018734	264.271	UKMDTWJEXBZGEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034033
CC1CCc2c1c(O)nn2Cc1cc(F)cc(F)c1	MCULE-9511779917,EMOLS-id_331020782	264.271	LIOVCQZEVKUYHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034034
CC1CCc2c1c(O)nn2Cc1c(F)cccc1F	MCULE-2654494425,EMOLS-id_331018478	264.271	BOTWOXRQQFKMGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034035
CC1CCc2nn(Cc3cccc(F)c3F)c(O)c12	MCULE-1175917656,EMOLS-id_331003051	264.271	BZKJJBOETZVGEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034036
CC1CCc2nn(Cc3ccc(F)cc3F)c(O)c12	MCULE-6438855912,EMOLS-id_331005354	264.271	VVXTUEICLDAYRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034037
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(O)c12	MCULE-6979522026,EMOLS-id_331005098	264.271	VJFIBANBJFUZBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034038
CC1CCc2nn(Cc3cc(F)ccc3F)c(O)c12	MCULE-7963434748,EMOLS-id_331003563	264.271	IAQMJAGGZATRJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034039
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(O)c12	MCULE-7323515129,EMOLS-id_331005611	264.271	JMGRPWQMVXJMHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034040
CC1CCc2nn(Cc3c(F)cccc3F)c(O)c12	MCULE-1229621661,EMOLS-id_331003307	264.271	MRBNJWOLPHVJMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034041
S1Cc2c(noc2NC(=O)c2ccc(F)cc2)C1	PC-id_49720078	264.275	SFCVJPYWOFYGOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034042
S1Cc2c(noc2NC(=O)c2cc(F)ccc2)C1	PC-id_49720077	264.275	UQCNVPGTCMFDGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034043
S1Cc2c(noc2NC(=O)c2c(F)cccc2)C1	PC-id_49720076	264.275	NAAKZSABJHEZFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034044
O(C(C)(C)C)C(=O)NC1Cc2n(C1=O)c(cc2)C=O	PC-id_10467973	264.277	IQGVSWYRMWVHBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034045
c1(nnc2SCCn12)NC(=O)c1ccccc1F	CoCoCo_2590493,PC-id_22582952,MCULE-7960639120,EMOLS-id_16349403,ZINC22_17170926,ChEMBL-DNDi_CHEMBLF2079-0053	264.279	SADPYCSJWROIDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034046
c1(nnc2SCCn12)NC(=O)c1ccc(cc1)F	PC-id_22582954,MCULE-4630245758,EMOLS-id_16349407,ZINC22_17155665,CoCoCo_2590495,ChEMBL-DNDi_CHEMBLF2079-0055	264.279	UABLYTPVZLCYTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034047
c1(nnc2SCCn12)NC(=O)c1cccc(F)c1	PC-id_22582953,MCULE-3692359327,EMOLS-id_16349405,ZINC22_17155064,CoCoCo_2590494,ChEMBL-DNDi_CHEMBLF2079-0054	264.279	YDQRMCINWOHSJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034048
CC1=C(C(=O)NCc2nnc3n2CCC3)OCCO1	EMOLS-id_316262456,ZINC22_1506412229,MCULE-5458547248	264.28	ARQVQNNZJONCGV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-034049
C=CCNC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319572842	264.28	MIVKMEGSWWIEEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034050
CCC(=O)N1CCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102135481,MCULE-2631273387	264.28	JYKFRFDKSXLJSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034051
CN1CCOC(C1=O)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_258090781,MCULE-6538866320	264.28	ZCBJIJPJGOWHNG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034052
CN(C)C(=O)N1Cc2nc(C(=O)NC3CC3)oc2C1	ZINC22_96266062,EMOLS-id_44379958,PC-id_97525824	264.28	KDLARROQOVGUIT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034053
COC(=O)c1c(NC(=O)NC2CC2)nc2n1CCC2	EMOLS-id_319574813	264.28	JINIBEGJSABESC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034054
O=C1N(C)CCC1N(C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99585854	264.28	RFYJDSXMZXVWSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034055
O=C1NCCCCC1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99518144	264.28	GPKAKTSAMLEVOU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034056
O=C(c1nn2c(c1)OCC2)N1CC(C1)NC1COC1	EMOLS-id_318985837	264.28	IAVQTGONWNZBNF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034057
O=C([C@@H]1C[C@@H]1C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_114091916	264.28	USLVCWZPAISOCK-VVXQKDJTSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034058
O=C(N1CC(NCC1)C(=O)O)c1n[nH]c2c1CCC2	PC-id_56868216	264.28	XRPYEQZECYKZTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034059
O=C(NC(c1n2CCCc2nn1)C)C1C(C1)C(=O)O	PC-id_54868276	264.28	USLVCWZPAISOCK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034060
O=C(N(Cc1n2CCCc2nn1)C)C1C(C1)C(=O)O	PC-id_54875720	264.28	PULNXGCGVBFQDX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034061
OC(=O)[C@H]1C[C@H]1C(=O)N(Cc1nnc2n1CCC2)C	PC-id_93379032	264.28	PULNXGCGVBFQDX-SFYZADRCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034062
C1Cn2cccc2C1=NNC(=O)c1ccc(cc1)C#N	MCULE-9832630143,PC-id_91942809,EMOLS-id_300999111	264.282	NOIZOGNCDHMXNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034063
O=C(N/N=C
/CCn2c1ccc2)c1ccc(cc1)C#N	PC-id_48920175	264.282	NOIZOGNCDHMXNO-LGMDPLHJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034064
Fc1ccc(c(c1)C(=O)c1sc2c(c1)CCC2)F	EMOLS-id_314070036,PC-id_43462575	264.29	WCRZILRVRXEEPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034065
Fc1cccc(c1C(=O)c1sc2c(c1)CCC2)F	PC-id_114972947	264.29	SQEFLDUSQYTNHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034066
Fc1ccc(c(c1)F)C(=O)c1sc2c(c1)CCC2	EMOLS-id_314561982,PC-id_43462658	264.29	SNFXIBAKGVDJLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034067
Fc1cc(F)cc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_114970562	264.29	WWGUREHOXIGJML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034068
O=C(c1ccc(c(c1)F)F)c1sc2c(c1)CCC2	EMOLS-id_314913072,PC-id_43462840	264.29	CMWXZTHJEUTJQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034069
O=C(c1cccc(c1F)F)c1sc2c(c1)CCC2	PC-id_114973537	264.29	WAIYHTHNYWMXHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034070
CC(C)n1c2c(CS(=O)(=O)C2)c(n1)C(C)(F)F	SCHEMBL15723675,PC-id_90162089	264.292	PGPGHWYZVDBNBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034071
OC(c1sc2c(c1)CCC2)c1ccc(o1)C(=O)O	PC-id_106947266	264.297	VBYFXTCVIMJNDO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-034072
FC1=CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101576937	264.299	OBFNCEVCBZRLHC-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-034073
O=C(C(=C(C1CC1)C)F)NC1CC(n2c1ncn2)C	EMOLS-id_316601737	264.299	UDUZELWHOYJOPL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034074
c1(NC(=O)CC#N)sc2c(CCC2)c1C(=O)OC	MCULE-5162635824,CoCoCo_6787920,EMOLS-id_29546491,TIMTEC608159,PC-id_5106011,ZINC22_5526383	264.3	ZYISILSUBMTRLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034075
Clc1n(nc2c1CCC2)Cc1c(Cl)cccc1	PC-id_66015711	267.154	DSVAQJFZRNKGCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035688
c1(NC(=O)C(=O)OCC)sc2c(CCC2)c1C#N	EMOLS-id_8852423,PC-id_4774061,ZINC22_6401517,MCULE-9263237419	264.3	PUTMVOCKJTZNMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034076
Cc1nnc(COC(=O)c2cc3c(s2)CCC3)o1	ZINC22_39514604,MCULE-3042212899,EMOLS-id_33296791,PC-id_45637915	264.3	FDIVVLZQWPBLMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034077
Cc1noc(COC(=O)c2cc3c(s2)CCC3)n1	PC-id_18147252,MCULE-3585406175,EMOLS-id_44493189,ZINC22_84286759	264.3	OLCAGKHEOTUOLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034078
C[C@@H](OC(=O)c1occ2c1CCC2)c1csnn1	ZINC22_836090693	264.3	FKNIKDMELZRBQU-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034079
C[C@H](OC(=O)c1occ2c1CCC2)c1csnn1	ZINC22_836090694	264.3	FKNIKDMELZRBQU-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034080
COc1nscc1NC(=O)c1occ2c1CCC2	EMOLS-id_319074582	264.3	GSJNVNXHTPJEMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034081
N#Cc1c(NC(=O)C(C(=O)O)C)sc2c1CCC2	PC-id_114897086	264.3	GWQKRXWMUTVIDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034082
OC(=O)C1CCc2c1nc(s2)NCc1ccco1	PC-id_113395647	264.3	DNUASKXNJRHHSV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-034083
OC(=O)C1CCc2c1nc(s2)NCc1cocc1	PC-id_113511550	264.3	ZIVIQGIMIFSRIH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-034084
OC(=O)CCC(=O)Nc1c(C#N)c2c(CCC2)s1	MCULE-9873737989,CoCoCo_6385020,PC-id_4334490,EMOLS-id_84834627	264.3	CBZQKTUXYAJFKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034085
O=S(=O)(c1ccccc1)Nc1onc2c1CCC2	SCHEMBL5929506,PC-id_58664495	264.3	JSRVIDCZAIXLHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034086
s1c2c(CCC2)cc1C(=O)N1CC(=O)NC(=O)C1	PC-id_66085361	264.3	ZMHWTNVRLQAMLT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034087
s1c2CCCc2c(c1NC(=O)COC(=O)C)C#N	PC-id_8219137	264.3	YJNTYJKRLTXXHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034088
S1Cc2c(noc2NC(=O)c2c(oc(c2)C)C)C1	PC-id_49720103	264.3	SYERASLBEPTNIO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-034089
c12SCCn1cc(CNC(=O)c1c(C)ocn1)n2	ZINC22_97742906,EMOLS-id_49673106,MCULE-6959644532,PC-id_74246877	264.304	JXZPNDCGOOUPQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034090
c1(NC(=O)c2cc(on2)C)n(C)nc2CSCc12	PC-id_134707258,EMOLS-id_316193512,ZINC22_1529168220,MCULE-7675337113	264.304	ZTTWNJFLKKMMNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034091
c1(NC(=O)NNC(=O)C)sc2c(CCC2)c1C#N	MCULE-6597758276,PC-id_71688004,TIMTEC332070,EMOLS-id_42977902	264.304	NIAAUPYMGOXOFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034092
c1(sc2c(CCC2)n1)NC(=O)C1=NNC(=O)CC1	MCULE-6176820937,PC-id_60671563,EMOLS-id_314109417	264.304	FXUAESORBOVIQU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-034093
Cc1c2n(CCO2)nc1C(=O)NCc1nccs1	PC-id_91959932	264.304	SAOZICWMYKFRGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034094
Cc1ccc(cn1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319429899	264.304	OKUJKJFBKAUPTD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-034095
Cc1ccc(cn1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319610392	264.304	PXLVXFAVMLMQCM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-034096
Cc1csc(n1)CNC(=O)c1nn2CCOc2c1	PC-id_91959814	264.304	GIULBZZUDNKNIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034097
Cc1nccc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_320233792,MCULE-2727997690	264.304	FMEOSLYIKLPZJR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-034098
Cc1nccc(c1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_318925017	264.304	FWXZIFPKYDBXRC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-034099
Cn1ncc2c1CN(C2)S(=O)(=O)c1cccnc1	EMOLS-id_318366075	264.304	VKYUOUKFBQUMLE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-034100
COc1[nH]nc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_320242083,MCULE-1426775180	264.304	YNNJYQZMKNPEJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034101
COc1[nH]nc(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_83093239,EMOLS-id_314760648	264.304	IXYNWPPXRVQBFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034102
COc1nscc1C(=O)N=c1cc2n([nH]1)CCC2	MCULE-3698614008,ZINC22_1875301759,EMOLS-id_324060755,PC-id_146102356	264.304	SNOUYURERBEHOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034103
COc1nscc1NC(=O)c1cnc2n1CCC2	EMOLS-id_319781241	264.304	HXHQQNLKYYWFOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034104
COc1nscc1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319143415	264.304	CGJGSWKUTGXQRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034105
COc1nscc1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318912562	264.304	MBOBSYWCLUDSOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034106
Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL4287748,PC-id_68988108	264.304	DBLPWZYZCJRAMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034107
N#Cc1c(NC(=O)C2CCCO2)nc2n1CCS2	EMOLS-id_303257394	264.304	QHQNGDHQAFILQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034108
N#Cc1c(NC(=O)C2COCC2)nc2n1CCS2	EMOLS-id_99354517	264.304	KPJSZGIXDVCTSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034109
N#Cc1c(NC(=O)[C@H]2CCCO2)nc2n1CCS2	EMOLS-id_98086045	264.304	QHQNGDHQAFILQJ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034110
N#Cc1c(NC(=O)[C@@H]2CCCO2)nc2n1CCS2	EMOLS-id_98299377	264.304	QHQNGDHQAFILQJ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034111
N#CC1CSCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_99596484	264.304	ZFVMVRKTPPGVHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034112
Oc1cc(n(n1)C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318411072	264.304	YPUXUDFBPQDATR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034113
O=c1[nH]nc(c(=O)[nH]1)NCc1sc2c(c1)CCC2	PC-id_61208376,EMOLS-id_314101189	264.304	KBVKGTBSZYYSQL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-034114
O=C(c1csc(=O)[nH]1)Nc1n(C)nc2c1CCC2	EMOLS-id_100039371	264.304	ATAQCOMCCZGZFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034115
O=C(c1csc(=O)[nH]1)NCc1cnc2n1CCC2	EMOLS-id_320251994,MCULE-7679732137	264.304	NHZGWFDCJWRSIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034116
O=C(c1csc(=O)[nH]1)NCc1n[nH]c2c1CCC2	EMOLS-id_319437519	264.304	GHRKAVIEBDPNIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034117
O=C(c1nn2c(c1)OCC2)NCc1scnc1C	EMOLS-id_99577876	264.304	WNMFTDKTRPBRQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034118
O=C(c1nonc1N)NCc1sc2c(c1)CCC2	EMOLS-id_314650404,PC-id_62685819	264.304	ZVUSVUFKSNWMMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034119
OC(=O)C1CCc2c1nc(s2)Nc1ccn(n1)C	PC-id_104288019	264.304	JCRMIBYYQOXUPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034120
OC(=O)C1CCc2c1nc(s2)Nc1ccnn1C	PC-id_104288267	264.304	YHJZVWKDUPJWFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034121
OC(=O)C1CCc2c1nc(s2)Nc1cnn(c1)C	PC-id_104287895	264.304	ULBDHFSEBMARFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034122
OC(=O)C1CCc2c1nc(s2)NCc1cnc[nH]1	PC-id_104289001	264.304	ILZDIZVKHXYORD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034123
OC(=O)C1CCc2c1nc(s2)NCc1c[nH]nc1	PC-id_113395757	264.304	VYPHYKWONWGWBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034124
OC(=O)C1CCc2c1nc(s2)NCc1ncc[nH]1	PC-id_104288956	264.304	WKVUGPWTJUTEQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034125
S1CCn2c1nnc2NC(=O)CCc1occc1	PC-id_73293212	264.304	FTQQHEPHJLKUHN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-034126
c1(NC(=O)CCn2cnnn2)sc2c(CCC2)n1	EMOLS-id_104693526,STOCK7S-63598,MCULE-3177636472,SPECS-id_AO-022/43514821,ZINC22_524735158	264.307	AJQWJEPTUUEBCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034127
Cc1nsnc1C(=O)NCc1nnc2CCCn12	PC-id_145935075,EMOLS-id_323980114,MCULE-5695948138,ZINC22_1857689804	264.307	YJBBIYOYUBBMOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034128
OC(c1sc2c(c1)CCC2)CCCC(F)(F)F	PC-id_115828317	264.307	OXWNBVOQRLHXHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034129
O=C(Cn1cnc(n1)N)Nc1sc2c(n1)CCC2	EMOLS-id_315221943,PC-id_54962876	264.307	KESWIULNMVPKBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034130
O=C(Nc1ccns1)NCc1nnc2n1CCC2	MCULE-8358251030,EMOLS-id_257968279	264.307	RISWSEVYGQHKNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034131
O=C(NCc1nnc2n1CCC2)Nc1nccs1	CoCoCo_4662951,ZINC22_40490204,PC-id_45806507,EMOLS-id_31879164,MCULE-2301701538	264.307	YNMMRRQVIDRDGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034132
s1nnc(C(=O)NCCc2n3CCCc3nn2)c1	PC-id_60557232	264.307	ABSVHMCQSIEPFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034133
NNC(c1sc2c(c1)CCC2)CCC(F)(F)F	PC-id_105313871	264.31	YJFFGHRCFUCIAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034134
CCOC(=O)Cc1oc2c(c1CC(C)C)C(=O)CC2	PC-id_139256481	264.317	SOXHENWAPMWDEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034135
n1c(CCOc2ccc(cc2)F)sc2CCNc12	PC-id_82091483,MCULE-6457937972	264.319	YBBQVQCIWJAZKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034136
s1c2CCCc2nc1C(N)c1cc(F)c(O)cc1	PC-id_83329955	264.319	LVNXXTGZBLLEPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034137
s1c2CCCc2nc1C(N)c1c(F)cc(O)cc1	PC-id_83329957	264.319	GLGNOPZFIYKWTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034138
s1c2CCCc2nc1C(N)c1c(O)ccc(F)c1	PC-id_83329956	264.319	NVLPHKCDLBJCIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034139
s1c2CCCc2nc1C(N)c1c(O)c(F)ccc1	PC-id_83329958	264.319	OHJIIHMEUOTHBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034140
s1c2CCNc2nc1CCOc1cc(F)ccc1	PC-id_82091481	264.319	GCYQIKCEPGZWMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034141
s1c2CCNc2nc1CCOc1c(F)cccc1	PC-id_82091479	264.319	WAKSRMIOIXHRHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034142
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1CCOC1	EMOLS-id_330971059,MCULE-1234183547	264.32	LDICRNKUZNCFSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034143
CCCC(=O)N1[C@@H](CC(C)C)c2c(C1=O)c(on2)C	PC-id_102228465	264.32	YOTZIQKODQBKFR-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034144
CCCC(=O)N(C(=O)CCC)c1onc2c1CCC2	CHEMBL180888,PC-id_44391615	264.32	ZXZNIVVDRYGPFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034145
CC([C@@H]1N(C(=O)c2c1noc2C)C(=O)C(C)(C)C)C	PC-id_102228463	264.32	YXTYHSWBLVRVPH-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-034146
CCN(C(=O)c1[nH]c2c(c1)CCC2)[C@@H]1COC[C@H]1O	EMOLS-id_319511943	264.32	AACDNFUGFFZYSG-CHWSQXEVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034147
CCOC(=O)c1nn(c2CC(=O)Cc12)C(C)(C)CC	EMOLS-id_295517221,ZINC22_953019479,MCULE-2641537008	264.32	CTAJGENHPCHFFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034148
o1c2c(CCC2)c(c1COC)C(=O)N1CCNCC1	PC-id_83610066	264.32	FWVOLKAHSJSFLT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034149
OCC1(CO)CCCN1C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_318946712	264.32	QILDQWJOWPYEPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034150
O(C(=O)c1c(n2c(CCC2)c1)CCCNC(=O)C)C	PC-id_10445517	264.32	DSGNLIVQEQXTQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034151
s1c2c(CCC2)c(c1NC(=O)C1C(C1)C)C(=O)[O-]	PC-id_53456429	264.32	YJLHVXFELSTLDP-UHFFFAOYSA-M	00100010100000000000000010000000000000000000000000000000	25-01-034152
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](C1)C)C(=O)[O-]	PC-id_2080983	264.32	YJLHVXFELSTLDP-POYBYMJQSA-M	00100010100000000000000010000000000000000000000000000000	25-01-034153
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](C1)C)C(=O)[O-]	PC-id_2080985	264.32	YJLHVXFELSTLDP-HTRCEHHLSA-M	00100010100000000000000010000000000000000000000000000000	25-01-034154
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](C1)C)C(=O)[O-]	PC-id_2080987	264.32	YJLHVXFELSTLDP-XPUUQOCRSA-M	00100010100000000000000010000000000000000000000000000000	25-01-034155
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](C1)C)C(=O)[O-]	PC-id_2080989	264.32	YJLHVXFELSTLDP-SVRRBLITSA-M	00100010100000000000000010000000000000000000000000000000	25-01-034156
CCn1nc2c(c1NC(=O)C)CN(C2(C)C)C(=O)C	SCHEMBL11913268,PC-id_68164445	264.323	PMPWWDBQYMCNOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034157
CC(NC(=O)CCCC(=O)N1CCn2c1ncc2)C	EMOLS-id_279043898	264.323	ADAHQVBEDFPLJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034158
CCOC1CN(C1)C(=O)NC1CC(n2c1ncc2)C	MCULE-5440571206,EMOLS-id_101572881	264.323	CRAOIAVBOIOASG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034159
CCOC1CN(C(=O)N[C@@H]2C[C@H](C)n3ccnc23)C1	ZINC22_334064915	264.323	CRAOIAVBOIOASG-GXSJLCMTSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034160
CCOC1CN(C(=O)N[C@H]2C[C@@H](C)n3ccnc23)C1	ZINC22_334064916	264.323	CRAOIAVBOIOASG-KOLCDFICSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034161
CCOC1CN(C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)C1	ZINC22_334064917	264.323	CRAOIAVBOIOASG-MWLCHTKSSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034162
CCOC1CN(C(=O)N[C@H]2C[C@H](C)n3ccnc23)C1	ZINC22_334064918	264.323	CRAOIAVBOIOASG-ONGXEEELSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034163
O=C(C1NCc2c1c[nH]n2)NCC1OCC(C1)(C)C	MCULE-3956878482,EMOLS-id_320320152	264.323	IDRWADZPOARMQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034164
c12CN(Cc1nn(CC1CC1)c2CN)C(=O)OCC	MCULE-5609983188,EMOLS-id_324345967	264.324	VYLNQZPFENQIAJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034165
c1(CNC(=O)N2CCOCC2)c2CCCc2nn1C	PC-id_91819405,ZINC22_225818492,MCULE-3981817518,EMOLS-id_53884679	264.324	NLHFEDXWTMDHDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034166
c1(C(=O)NCCN2CCOCC2)c2CCCc2[nH]n1	MCULE-5622604738,PC-id_110388814,EMOLS-id_179744521	264.324	VRUMKTWDGVEKST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034167
c1(C(=O)NCCN2CCOCC2)cn2c(CCC2)n1	MCULE-8683042309,EMOLS-id_321297107	264.324	VGTOYGQAJQXSII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034168
c1(NC(=O)NCC2CCCO2)n(C)nc2CCCc12	MCULE-4761063361,EMOLS-id_68869613,PC-id_118761011	264.324	MWHKDECIINSCJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034169
Cc1c2n(CCO2)nc1C(=O)NC1CCN(CC1)C	PC-id_91959908	264.324	ZLSMSRAIKOCSGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034170
Cc1c2n(CCO2)nc1C(=O)NCCN1CCCC1	PC-id_91959987	264.324	VYJKYHYAUBWXJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034171
CC1C(C)N(C)CCN1C(=O)c1cc2n(n1)CCO2	EMOLS-id_99596556	264.324	CONGSTMVERUXSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034172
CC1CN(C)C(CN1C(=O)c1cc2n(n1)CCO2)C	EMOLS-id_99601719	264.324	WGOAGFHNUWXIIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034173
CC1CN(CC(O1)(C)C)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319569943	264.324	OIQRYFPXBDSMFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034174
CC(C1OCCN(C1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319516555	264.324	NXRLWNPRMNVXHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034175
CCCN1Cc2c(C1)[nH]nc2C(=O)N1CCOCC1	PC-id_97408302	264.324	FFDUKCSLUIOWPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034176
CCCN1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959882	264.324	XSGJRDKBYNVBEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034177
CCN1CCC[C@@H](C1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_320120602,MCULE-9092304043	264.324	QMUDXYOXIBSEND-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-034178
CCN1CCN(CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959960	264.324	XQRNZKTWBMBUGL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034179
CCN(C(=O)C1NCc2c1c[nH]n2)CC1CCCO1	EMOLS-id_319351966	264.324	CUKOXVCZJAOWQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034180
CCN(C(=O)C1NCc2c1c[nH]n2)CC1COCC1	EMOLS-id_319038330	264.324	VIOSUMYGYVJOSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034181
CCOC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	MCULE-1568216257,EMOLS-id_319981857	264.324	XIYFTAKKKVEVRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034182
CCOCC1CCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318865283	264.324	AUKKZIJFYMUEAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034183
CN1CC(C(C1)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_319340139	264.324	ASYCFGYHPWYNRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034184
CN1CCC(CC1C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99570613	264.324	YXNNQFFSPNHIBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034185
CN1CCN(CC1C(=O)O)Cc1cnc2n1CCC2	EMOLS-id_319214014	264.324	ISJADDQAPYIISX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034186
CN1CCOC(C1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_111272161	264.324	AMFVRGDVJHGYCX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034187
CN1CCOCC1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98328102	264.324	ZHMCVHWXXPXFBO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034188
CN1CCOCC1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319957517,MCULE-3445306346	264.324	NXXVZUVXRGLCPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034189
CN1CCOC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319638890	264.324	VSNCZQWQOWBRJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034190
Cn1nc2c(c1NC(=O)NC[C@H]1CCCO1)CCC2	ZINC22_299766283	264.324	MWHKDECIINSCJH-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034191
Cn1nc2c(c1NC(=O)NC[C@@H]1CCCO1)CCC2	ZINC22_299766285	264.324	MWHKDECIINSCJH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-034192
CN(C1(C)CCN(C1)C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_319426885	264.324	SZAXROJAVPOJSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034193
CN(C(=O)c1nn2c(c1)OCC2)CCN1CCCC1	EMOLS-id_99585536	264.324	LFGSBEVMSYSKCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034194
CNC(=O)CN1Cc2c(C1)[nH]nc2COCC1CC1	PC-id_97413688	264.324	WFYOWSGXQOFZPC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034195
COC1(C)CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101576964	264.324	DIHZFASTWABATK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034196
n1c(CNC(=O)[C@@H]2C[C@@H]([C@@H](N)C2)O)c2c(CCC2)[nH]1	ZINC22_1857715247,EMOLS-id_330429929,MCULE-5242962921	264.324	IPQZUFUQYIZLOH-DXBFQKDVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034197
NC[C@H]1CC[C@H](O1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_120796704	264.324	KXXDEUISRCRAGY-KCJUWKMLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034198
OC1CN(CC(C1)(C)C)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319811435	264.324	KKGLHGRKLCWQTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034199
O=C1COCCN1CCNC1CC(n2c1ncc2)C	EMOLS-id_320166771,MCULE-5439007216	264.324	XPVVCOLJQMYUDP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034200
OCC1CN(C)CCN1C(=O)c1cn2c(n1)CCC2	EMOLS-id_316684721	264.324	OABUWWXJWPAEJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034201
OCC1CN(C)CCN1C(=O)c1cnc2n1CCC2	MCULE-1208695748,EMOLS-id_258137554	264.324	ZFMLQMIQLZCTQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034202
OCC1CN(C)CCN1C(=O)c1cnn2c1CCC2	EMOLS-id_316686002	264.324	IBLVIHBOISRMFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034203
OCC1CN(C)CCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316683701	264.324	YSVCTIOLKQNBFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034204
O=C(C1NCc2c1c[nH]n2)N1CCCOC(C1)(C)C	EMOLS-id_319629943	264.324	NPBYUMUHZWFRBW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034205
O=C(C1NCc2c1c[nH]n2)NCCC1CCOCC1	EMOLS-id_319161642	264.324	OEBLUIIBXGEXBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034206
O=C(c1n[nH]c2c1CCC2)N1CCN(CCO)CC1	EMOLS-id_43369606,ZINC22_75572617,MCULE-2367696298,PC-id_72154207	264.324	VZVHTYKKEAWFKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034207
O=C(c1n[nH]c2c1CCC2)NCC1(N)CCOCC1	EMOLS-id_316617048	264.324	XSCUWKRHBCXIQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034208
OCCC1NCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_319446535	264.324	ZSYLCMIHMJDHKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034209
OC[C@H]1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318955870	264.324	CUXUGHDWGOQGCZ-HSOILSAZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034210
O[C@@H]1CCC[C@H]1N(CC(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_319150089	264.324	XFTFBMBWRWXNKL-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034211
O=C(NC1CC(n2c1ncn2)C)C[C@@H]1CCC[C@H]1O	EMOLS-id_319584660	264.324	IXQCLHMGHFYARK-QONHTCSSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034212
O=C(Nc1n(C)nc2c1CCC2)CC1COCCN1	EMOLS-id_303020271,PC-id_121749930,MCULE-5016402175	264.324	BMONHUGZOKVEQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034213
CC1OCCN(C1)C(=NCc1nnc2n1CCC2)N	PC-id_120661156	264.327	DNUKKBYLJPJBJI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034214
Fc1ccc(cc1)C(=O)c1cc2c(s1)CCS2	PC-id_141350235	264.338	CTHIMNKJAIWMEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034215
c1(C#N)c2CCCc2sc1NCCC(=O)OCC	MCULE-6271389837,PC-id_82316800	264.343	LHPVQUJBQHJHTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034216
c1(NC(=O)C2CC2)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590282,MCULE-3413317708,EMOLS-id_13439875,PC-id_7475021,ZINC22_5055721	264.343	QEKUVOGNTYDURY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034217
c1(NC(=O)C2CCC2)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348430,MCULE-8515801111,PC-id_60001364,SCHEMBL8289515	264.343	OWXKWJHJZFRZLD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034218
c1(NC(=O)/C=C(C)/C)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348485,MCULE-2520216652,PC-id_19177479	264.343	YLMIZCROSFDFPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034219
c1(NC(=O)OC(C)(C)C)sc2c(CCC2)c1C#N	PC-id_14015001,ZINC22_83502243,MCULE-1441005069,EMOLS-id_41034836	264.343	NOVOBMLKOVNBCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034220
CC1C(=O)NCCN1C(=O)c1sc2c(c1)CCC2	PC-id_63080417,EMOLS-id_102702221	264.343	VXMBRJPIYRIOLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034221
CC1NC(=O)CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102785897	264.343	JEWATINYUWCHER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034222
C=CCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8290766,PC-id_60001397	264.343	YNQOKWUKYWILMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034223
CCOC(=O)C1CCc2c1nc(s2)C(C#N)(C)C	PC-id_103097344	264.343	KUSUXERBPRJPCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034224
CCOC(=O)[C@]1(CC)CCc2c1c(C#N)c(s2)N	PC-id_101692939	264.343	GTXMNNYAMDWNTE-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034225
CCOC(=O)[C@@]1(CC)CCc2c1c(C#N)c(s2)N	PC-id_101692940	264.343	GTXMNNYAMDWNTE-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034226
CCOC(=O)C1(CC)CCc2sc(N)c(C#N)c12	EMOLS-id_337888805,PC-id_10563584	264.343	GTXMNNYAMDWNTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034227
CN1CCN(CC1=O)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102618484	264.343	XXFNYOMUNPPXQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034228
COc1cnn(c1C(c1sc2c(c1)CCC2)O)C	PC-id_115836796	264.343	SRGUKUYEHNYMBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034229
N#Cc1c(NC(=O)COC(C)C)sc2c1CCC2	PC-id_112687178	264.343	DACLKKLFINAPQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034230
N#Cc1c(sc2c1CCC2)NC(=O)C(OC)(C)C	PC-id_103029095	264.343	BBEWKKGNVRUKTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034231
NC(=O)[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_94909263,ZINC22_61981487	264.343	KMVJEALMBWWVGF-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-034232
NC(=O)[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_97010553,ZINC22_84338864	264.343	KMVJEALMBWWVGF-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034233
O=C1NCc2c1cc(s2)CCN1CCOC2C1C2	PC-id_145111848	264.343	XLUIHFCJDIPBLI-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-034234
O=C1NCC(C1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_101674865	264.343	ADCXPOZUIBCNBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034235
O=C1NCCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_315050963,PC-id_62896653	264.343	VLRQAZJQNOWTTC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034236
O=C1NCCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102395641,PC-id_62045913	264.343	HARYGXMJBBXRNI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034237
OC(c1ccco1)CNCc1sc2c(n1)CCC2	PC-id_109948524	264.343	FIOXFENWQCULPC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-034238
O=C(c1sc2c(c1)CCC2)N1CCC(C1)C(=O)N	PC-id_71941236,MCULE-2727012383,EMOLS-id_44496375	264.343	KMVJEALMBWWVGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034239
O=C(c1sc2c(c1)CCC2)NNC(=O)C1CCC1	MCULE-3054107818,EMOLS-id_33331869,PC-id_26872764	264.343	AFVIXUVVRNRBKF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034240
O=C(c1sc2c(c1)N(CC2)C(=O)C1CC1)N(C)C	PC-id_97407215	264.343	WVKQZNNLOXLEAD-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034241
OCC(c1ccco1)NCc1sc2c(n1)CCC2	PC-id_109948681	264.343	LXJNETJIFNXIGW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-034242
OCCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-5668558874,EMOLS-id_315359312,PC-id_79198644	264.343	DAMABPWGHDDILY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034243
ON=C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_24693491,EMOLS-id_315993082	264.343	TYEGTTFTPRHVNU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034244
O=NC(=O)c1c(NC2CCCC2)sc2c1CCC2	PC-id_143029661	264.343	XBWFDAXARMMNCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034245
s1c2c(CCC2)cc1CNC1CC(=O)N(C1=O)C	PC-id_61207414	264.343	GDMYTWGFZRZEFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034246
s1c2c(CCC2)cc1CNC(=O)C1CNC(=O)C1	PC-id_78983089	264.343	INIRJXYFPXMTIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034247
s1c2c(CCC2)cc1C(=O)NC1CCC(=O)NC1	PC-id_55210139	264.343	SFBDWUVDHGEROZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034248
s1c2CCCc2cc1C(=O)NCC(=O)NC1CC1	PC-id_8136938	264.343	BHBMXUUYYSKYLB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034249
s1c2CCCc2cc1C(=O)NNC(=O)C1C(C1)C	PC-id_47102788	264.343	PZMJUEGASIMNEG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034250
s1c2c(CCC2)c(c1N(CC(C)C(=O)O)C)C#N	PC-id_82310147	264.343	YKDHVTWIZQDYNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034251
s1c2c(CCC2)c(c1NCC(C)C(=O)OC)C#N	PC-id_82316801	264.343	OSNQBLNUBUBEAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034252
s1c2c(CCC2)c(c1N(CCC(=O)O)CC)C#N	PC-id_82310080	264.343	ZBTSLGFLDUYNMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034253
s1c2CCCc2c(c1NC(=O)CCC(O)C)C#N	PC-id_79191367	264.343	OMQFYFWRXWFYBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034254
s1c2CC(CC(=O)N3CCNCC3)C(=O)c2cc1	PC-id_10587705	264.343	LXTIXTGGRBNHHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034255
s1c2C(=O)N(CC3CCCCC3)C(=O)c2nc1C	PC-id_85635062	264.343	STGAAPCLYFFUJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034256
CN(C(=O)C1CC1)C(=Nc1nc2c(s1)CCC2)N	SCHEMBL14450411,PC-id_89339878	264.347	PCIHSTLXNFXAQH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034257
[N-]=[N+]=NCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_106386397	264.347	LROMTCYXIYQSAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034258
OCCn1ncc(c1)NCc1sc2c(n1)CCC2	PC-id_109982210	264.347	FSMSFZCGQNOFJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034259
S1c2n(CC1)c(c(NC(=O)C(CCC)C)n2)C#N	PC-id_60323740	264.347	FAXDMMDQAJPBBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034260
CC1C(C)Cn2c1c(CN=C(NC#N)N)[nH]c2=S	PC-id_139293283,SCHEMBL21135760	264.35	JOQLMSHQGLIKQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034261
NNC(c1sc2c(c1)CCC2)Cc1nnn(n1)C	PC-id_107066975	264.35	ZEPXOLDKTHENGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034262
c1(C(=O)OC)c2C(C)CCc2n(CCC(C)(C)C)n1	EMOLS-id_330995185,MCULE-3314121164	264.363	LXGIAJSGOWWRRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034263
c1(C(=O)OC)c2C(C)CCc2n(CC(CC)CC)n1	EMOLS-id_330996209,MCULE-4576429646	264.363	LUCIYLWCTSZXAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034264
c1(C(=O)OC)c2C(C)CCc2n(C(C)C(C)(C)C)n1	MCULE-7437711296,EMOLS-id_330997745	264.363	ZEDMVFLCUPRLHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034265
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C(C)(C)C	EMOLS-id_330980530,MCULE-1341741237	264.363	HENNOYQJDJBDLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034266
c1(C(=O)OC)c2C(C)CCc2nn1CC(CC)CC	MCULE-5334891436,EMOLS-id_330979250	264.363	OILWXCIPUHLGEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034267
c1(C(=O)OC)c2C(C)CCc2nn1CCC(C)(C)C	MCULE-8398816521,EMOLS-id_330978226	264.363	QHPUMMJDQZXXAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034268
c1(C(=O)OCC)c2C(C)CCc2n(CC(C)(C)C)n1	EMOLS-id_330998008,MCULE-7099981409	264.363	SABKAGLCQSOTQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034269
c1(C(=O)OCC)c2C(C)CCc2n(C(C)C(C)C)n1	EMOLS-id_330998264,MCULE-3277422944	264.363	UIARDKMONHYCLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034270
c1(C(=O)OCC)c2C(C)CCc2n(C(CC)CC)n1	EMOLS-id_330998520,MCULE-4501212138	264.363	ZIRFDKXVGLLPCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034271
c1(C(=O)OCC)c2C(C)CCc2n(CCC(C)C)n1	EMOLS-id_331000054,MCULE-2625307798	264.363	WTXJDVJJDUOOQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034272
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C(C)C	EMOLS-id_330981054,MCULE-9645406270	264.363	WIHYSHLSIARCPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034273
c1(C(=O)OCC)c2C(C)CCc2nn1CCC(C)C	EMOLS-id_330982071,MCULE-4477267602	264.363	VXARMJMAGRKWJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034274
c1(C(=O)OCC)c2C(C)CCc2nn1CC(C)(C)C	EMOLS-id_330984120,MCULE-5113926802	264.363	OARQSZJNDBBQND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034275
c1(C(=O)OCC)c2C(C)CCc2nn1C(CC)CC	MCULE-9868142256,EMOLS-id_330984376	264.363	NNYWGGISWMBJOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034276
CC(C1CCCOC1)n1nc2CCC(C)c2c1CO	EMOLS-id_330991035,MCULE-3216185315	264.363	ABBCZMBVKZYPCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034277
CC(C1CCOCC1)n1nc2CCC(C)c2c1CO	MCULE-8964059386,EMOLS-id_330990523	264.363	DTWFFTQJMBFLLQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034278
CCOC(=O)c1c(C)c2n(c1C)CN(C(C)(C)C)C2	CoCoCo_5353007,LI_29117,ZINC22_31924786,CoCoCo_5353006,PC-id_413451	264.363	BAWBSLCCTLQGNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034279
COc1ccsc1C(=O)c1sc2c(c1)CCC2	EMOLS-id_314369166,PC-id_81118523	264.363	SQXJNGFWPKTXQT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034280
O=C(OC(C)(C)C)Cn1nc(c2c1CCC2)C(C)C	SCHEMBL20866257,PC-id_138514602	264.363	WZLBCHWJRKGUCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034281
Cc1c(C(=O)Nc2sc3c(CCC3)n2)scc1	MCULE-6867336317,CoCoCo_4164007,PC-id_33039672,EMOLS-id_24074142,ZINC22_25768007	264.366	GJJOOAXYNPJHGR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034282
Cc1csc(NC(=O)c2cc3CCCc3s2)n1	PC-id_2349367,CoCoCo_3359029,PD103710,BindingDB-id_92313,EMOLS-id_2986576,BindingDB_PC-id_2349367,ZINC22_3231224,ChEMBL-DNDi_CHEMBL1539502,MCULE-2933525889,CHEMBL1539502	264.366	WPEMSLLHFQQWKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034283
O=C(c1sc2c(c1)CCC2)Nc1csnc1C	EMOLS-id_319985774,MCULE-4500579361	264.366	CDFDAZHTWDVTCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034284
O=C(c1sc2c(c1)CCC2)N=c1sccn1C	PC-id_112794675	264.366	YSXZWPWLGJEIQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034285
O=C(Cc1cccs1)Nc1nc2CCCc2s1	CoCoCo_4164002,EMOLS-id_11945270,ZINC22_6527161,CB6158926,MCULE-1708810458,PC-id_5147662	264.366	SCJDQEHVGSLGOT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034286
O=C(Cc1ccsc1)Nc1nc2c(s1)CCC2	EMOLS-id_11974398,ZINC22_12693722,PC-id_17424067,CoCoCo_4164031,MCULE-8504678392	264.366	PUZNJTOSEODNLS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034287
s1c2CCCc2cc1CNC(=O)c1ncsc1	PC-id_63048387	264.366	XFDQQZYKJHHZBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034288
s1c2CCCc2cc1C(=O)Nc1sc(cn1)C	PC-id_51153696	264.366	OJRCZCJEPZQNMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034289
s1c2CCCc2cc1C(=O)N(c1sccn1)C	PC-id_78865291	264.366	AUHWKRGHPZWWEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034290
s1c2CCCc2nc1NC(=O)c1sc(cc1)C	PC-id_26723055	264.366	VILZDIFBPBYSPT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034291
c1(C(=O)NCC(C)(C)CN(C)C)c2CCCc2[nH]n1	MCULE-3967886752,EMOLS-id_323259320	264.367	RNFAYPVPUGAWEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034292
c1(C(=O)NCCCN(CC)CC)c2CCCc2[nH]n1	EMOLS-id_323258044,MCULE-2782197265	264.367	NVTICSZOMLYSEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034293
CC1CC(c2n1ncn2)NCC1(O)CCCCCC1	EMOLS-id_316578784	264.367	JGMWFHBCNGVAQF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034294
CC1(C)CC(C(O1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_100318798	264.367	WNIDJAIQDXQGAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034295
CC1(C)OC(c2c1c(NC1CCNCC1)n[nH]2)(C)C	PC-id_114698128	264.367	GBKOPZXJPGKJPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034296
CC1OCCC(C1)CCNC1CC(n2c1ncn2)C	EMOLS-id_316581103	264.367	WLWUONSFDCQALY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034297
CCC1(CCOCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_279083421	264.367	RJWOFWJAMXXXSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034298
CC(C(C1(CNC2CC(n3c2ncn3)C)CC1)O)C	EMOLS-id_279084313	264.367	WKYWDSCRVOBIQV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034299
CC(C(CCN(C(=O)c1n[nH]c2c1CCC2)C)N)C	EMOLS-id_301808456,MCULE-1175440902,PC-id_119657525	264.367	ODLAMGCMWXBGPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034300
CC(CN1CCOCC1)NCc1n[nH]c2c1CCC2	PC-id_104407348	264.367	LIUDVPFROQRDKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034301
CCOC1CC(C1(C)C)NCc1nnc2n1CCC2	EMOLS-id_98837922	264.367	MZWDJHITDLUEKK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034302
Cn1nc(CN2CCCCC2)c2c1CN(CCO)C2	ZINC22_96084556,PC-id_97405382,EMOLS-id_46182117	264.367	HOSMTKPEBSEMNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034303
C(NCc1n[nH]c2c1CCC2)CCN1CCOCC1	PC-id_104433777	264.367	VYZYIIYBDVJKJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034304
COC1CCC(CC1)CNC1CC(n2c1ncn2)C	EMOLS-id_258182574,MCULE-1022157093	264.367	UTMJYDCWJQTLLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034305
COC1CCC(CC1)NC(c1nnc2n1CCC2)C	PC-id_104457594	264.367	JSSFUNWMTLWDFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034306
COC1CCCC(C1)NC(c1nnc2n1CCC2)C	PC-id_106871926	264.367	REDUNHLMVGZGCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034307
COCC[C@H]1CNCCN1Cc1cc2n(n1)CCC2	ZINC22_903837145	264.367	DFKJIWLCPPELMA-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034308
COCC[C@@H]1CNCCN1Cc1cc2n(n1)CCC2	ZINC22_903837146	264.367	DFKJIWLCPPELMA-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034309
NCCC1(O)CCN(CC1)Cc1nn2c(c1)CCC2	EMOLS-id_319136853	264.367	TVUSOFDMHFRMMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034310
NCCCCCCC(=O)Nc1n(C)nc2c1CCC2	PC-id_119822828	264.367	SOGUAVMELMYZCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034311
O1C(CC(NC(c2n3CCCc3nn2)C)CC1)(C)C	PC-id_64103202	264.367	IVRITVBDPHSJIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034312
O1C(CC(NC(c2n3CCCc3nn2)C)CC1)CC	PC-id_64103203	264.367	SNXSAVIVNXHNPE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034313
O1C(CC(NC(c2n3CCCc3nn2)C)CC1C)C	PC-id_81851270	264.367	PGWMXLVFNPMZTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034314
O(C1C(NC(c2n3CCCc3nn2)C)CCCC1)C	PC-id_43791517	264.367	XDQNJUQKVDEINV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034315
OCC1(CCCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_258182793,MCULE-9385803792	264.367	OKCYMTSOBIPHLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034316
OC(C1CCCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_319222527	264.367	MLDJTXKIUGTEOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034317
O=C(Nc1n(C)nc2c1CCC2)CCNC(C)(C)C	EMOLS-id_316552690	264.367	YSPRNNVBEIQURO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034318
O=C(NCc1n2CCCc2nn1)C(CCCC)CC	PC-id_75875613	264.367	NQFJGNXTAYREFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034319
O=C(NCc1n2CCCc2nn1)[C@@H](CCCC)CC	PC-id_52588090	264.367	NQFJGNXTAYREFE-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034320
O=C(NCc1n2CCCc2nn1)[C@H](CCCC)CC	PC-id_52588091	264.367	NQFJGNXTAYREFE-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-034321
ONCCCn1nc(c2c1CCC2)[C@H](NC1CC1)C	PC-id_118457735,SCHEMBL17189056	264.367	BADBCABJQPWJHF-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034322
CCCCCCNC(=NCc1nnc2n1CCC2)N	PC-id_111039243	264.37	BQWLNVUEYSHFMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034323
CCCCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020197	264.37	WDVXPHSUBLBMIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034324
CCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020171	264.37	FYLMKCGKGXFPST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034325
CCCCN(C(=NC)NCc1nnc2n1CCC2)C	PC-id_111158069	264.37	RHATVANWUKWVHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034326
CCNC(=NCc1nnc2n1CCC2)NC(CC)C	PC-id_110945940	264.37	LXEUGDJDBXUHOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034327
CCNC(=NCc1nnc2n1CCC2)NC(C)(C)C	PC-id_110967078	264.37	ICXMHNUPIHQIBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034328
CCNC(=NCc1nnc2n1CCC2)NCC(C)C	PC-id_111020227	264.37	FCXOYIRGWNWDGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034329
CN=C(NCc1nnc2n1CCC2)NCCC(C)C	PC-id_110979227	264.37	GRZKTCJGWSJGOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034330
CN=C(NC(C(C)C)C)NCc1nnc2n1CCC2	PC-id_111002689	264.37	PHLQXPJTJRQPLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034331
CCCCCCC/C=C/1[C@H](c2c(C1=O)scc2)O	PC-id_135043725	264.383	WHHRDPWVPLBVNX-RUNBWSAHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034332
O=C(c1sc2c(c1)CCC2)CCCC1CCCO1	PC-id_114976745	264.383	NOHDPQBJTOAQTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034333
c1(c2CCCc2sc1N)C(=O)NC1CCCCC1	MCULE-2818089766,CoCoCo_6814007,PC-id_843789,ZINC22_100145545,EMOLS-id_3785128,TIMTEC543715	264.386	XEJNRRYSUJAWRB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034334
C1CCC(CC1)OC(=N)c1c(sc2c1CCC2)N	PC-id_137036707	264.386	DYEQXSNSSAJLFR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034335
c1(NC(=O)CC2CCCCC2)sc2c(CCC2)n1	PC-id_46564990,MCULE-9712321702,EMOLS-id_181476063	264.386	YMVGBGKMSLWLHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034336
CC1(C(C1(C)C)C(=O)Nc1nc2c(s1)CCC2)C	PC-id_86618907	264.386	IVPSPARTQNDZJJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034337
CC1CCNC1C(=O)NCc1sc2c(c1)CCC2	PC-id_102779031	264.386	WJOIKMDYGLXVEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034338
CC1CCNCC1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_302283393,MCULE-6824263699,PC-id_120422943	264.386	OGYXWAUCGRKMIG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034339
CC1CNCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_120556536	264.386	UVZPFIPOMVKVDR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034340
CC1NCCC(C1)NC(=O)c1sc2c(c1)CCC2	PC-id_113902827,MCULE-1726592646,EMOLS-id_302368971	264.386	HCSJEXRJJSGYOS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034341
CC1NCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_114694841	264.386	VBHPKNKZEUYEEO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034342
CC1NC(C)CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_301360398,PC-id_63873859,MCULE-3417172971	264.386	IFHVAMRBOYKBLE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034343
CC1NCCN(C1C)C(=O)c1sc2c(c1)CCC2	PC-id_120570774,EMOLS-id_302336964,MCULE-7304457771	264.386	WXAVSWOYXXRCHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034344
CC1NCC(N(C1)C(=O)c1sc2c(c1)CCC2)C	MCULE-3383851795,EMOLS-id_302665472,PC-id_64980021	264.386	CKFYIDFLZAJHEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034345
CCC1CCc2c1c(c(s2)N)C(=O)N1CCCC1	PC-id_116176039	264.386	IOYPTNDPGLTTFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034346
CC(C1CCN(C1)C(=O)c1sc2c(c1)CCC2)N	PC-id_112630691,MCULE-2839103033,EMOLS-id_302694678	264.386	SNFKBEXIJKWLPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034347
CCCN(C(=O)c1sc2c(c1)CCC2)C1CNC1	EMOLS-id_314655609,PC-id_66184167	264.386	GXZAYVGVYLQBFW-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034348
C=CCNC(=O)C(NCc1sc2c(c1)CCC2)C	EMOLS-id_314544977,PC-id_61207797	264.386	RQXQSCMKURYBMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034349
CC(C(=O)NCc1sc2c(c1)CCC2)C1CNC1	PC-id_116677059	264.386	GIJTUVNGTVGBLC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034350
C[C@@H]1CNC[C@H]1C(=O)NCc1sc2c(c1)CCC2	PC-id_105573536	264.386	FXAUWKLXJBEZQX-BXKDBHETSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034351
C[C@H](N)[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_163344544	264.386	SNFKBEXIJKWLPJ-GXSJLCMTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034352
C[C@@H](N)[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_163344654	264.386	SNFKBEXIJKWLPJ-MWLCHTKSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034353
C[C@H](N)[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_163344781	264.386	SNFKBEXIJKWLPJ-ONGXEEELSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034354
C[C@@H](N)[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_163344930	264.386	SNFKBEXIJKWLPJ-KOLCDFICSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034355
CC(N1Cc2c(C1)cc(s2)C(=O)N1CCCC1)C	MCULE-4113996371,EMOLS-id_32995646,PC-id_53171047	264.386	XVMOCKGPRBFDTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034356
CC(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1	PC-id_146133511,ZINC22_921705342	264.386	SZZBSWSMQDZCBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034357
CN1CCCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102325661,PC-id_78789420	264.386	ZBJMUNSJNMLQLC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034358
CNC1CCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_55085955,EMOLS-id_301302990,MCULE-8977632280	264.386	MDDMBQUUTBPNOO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034359
CNC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_119560849	264.386	FRBHZGYKVXMSDM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034360
CNCC1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_301809678,MCULE-2964733299,PC-id_81484041	264.386	ASPMWRJBRGAORT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034361
CNCC1CCN(C1)C(=O)c1sc2c(c1)CCC2	MCULE-9083827597,EMOLS-id_301321440,PC-id_63263902	264.386	YBRAZSKCKZRCFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034362
CN(C(=O)CNCc1sc2c(c1)CCC2)C1CC1	PC-id_54956988,EMOLS-id_314121489	264.386	FCJPIIARDLJYFM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034363
n1c2CCCc2sc1CCNC(=O)C1CCCC1	MCULE-9069051845,PC-id_110461323,EMOLS-id_181140810	264.386	RZCLTGRRIRJHIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034364
NC1CCC(CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_62312612,EMOLS-id_301330873,MCULE-6217465286	264.386	JOIOFBXVCHGYDQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034365
NCC1(CCC1)C(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314990088,PC-id_113311661	264.386	CUXBCLGMJAPYAR-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034366
NCC1(CCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_301388034,PC-id_63889562,MCULE-7236207988	264.386	QQXODWYPSYDVOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034367
NCC1CCCCN1C(=O)c1sc2c(c1)CCC2	PC-id_61822837,MCULE-5969427740,EMOLS-id_301272856	264.386	RQRJDUDEXUPNMJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034368
NCC1(C)CCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_120809473,EMOLS-id_302569743,MCULE-2786738432	264.386	CJTVVVNZAMUKHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034369
NCC1CCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_61790214,MCULE-2344899293,EMOLS-id_302597621	264.386	VZIGGRHCSADPJH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034370
NCC1CC(N(C1)C(=O)c1sc2c(c1)CCC2)C	MCULE-1547560727,EMOLS-id_302670085,PC-id_115491706	264.386	OSIXRNZIYYORMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034371
NCC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_61785746,MCULE-6437333102,EMOLS-id_301295635	264.386	IUFAQXVJTLSSOU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034372
NCC(C1CC1)(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_301706495,PC-id_81486451,MCULE-8658498722	264.386	CAUHJMXNAKNJAF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034373
NCC(N(C(=O)c1sc2c(c1)CCC2)C)C1CC1	PC-id_116652060,EMOLS-id_71185603,MCULE-9958302534	264.386	FPELYEQCSCGRIE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034374
N[C@@H]1CCCC[C@H]1NC(=O)c1sc2c(c1)CCC2	MCULE-6262993254,PC-id_93452327,EMOLS-id_301591228	264.386	ABZAYZHJUNJXSK-GHMZBOCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034375
O=C(C1CCNCC1)NCc1sc2c(c1)CCC2	PC-id_61208589,EMOLS-id_314098630	264.386	GEUPJQTUJBOHSP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034376
O=C(c1c(N)sc2c1C(C)CC2(C)C)NC1CC1	PC-id_106662928	264.386	SOYIRKICWZFKSY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034377
O=C(c1c(N)sc2c1C(C)(C)CC2)N1CCCC1	EMOLS-id_314692865,PC-id_79864377	264.386	GRFVXTGAQBJUSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034378
O=C(C1(N)CCCC1)NCc1sc2c(c1)CCC2	PC-id_61208963,EMOLS-id_314100422	264.386	GKAWUFSYMQWJGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034379
O=C(c1sc2c(c1)CCC2)NC1(C)CCNCC1	EMOLS-id_302272855,PC-id_114696151,MCULE-4245193721	264.386	ZGSNIVSORIRQNL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034380
O=C(c1sc2c(c1)CCC2)NC1CCNCCC1	PC-id_105060282	264.386	OQZQLGMKMMYVPK-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-034381
O=C(c1sc2c(c1)CCC2)N(CC1CCCN1)C	PC-id_106607916	264.386	YNRORFIRDSQJAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034382
O=C(c1sc2c(c1)CCC2)NCC1CCCNC1	PC-id_61793075,EMOLS-id_301334028,MCULE-5550006899	264.386	DWWNYJRLEXLQSE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034383
O=C(c1sc2c(c1)CCC2)NCC1CCNCC1	PC-id_61793288,EMOLS-id_314835961	264.386	WCGFEFNWSUBECN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034384
O=C(c1sc2c(c1)CCC2)NCCC1CCCN1	PC-id_113634118	264.386	VZBNLPFXCUAKSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034385
O=C(c1sc2c(c1)CCC2)NCCC1CCNC1	EMOLS-id_301337857,MCULE-7538961149,PC-id_63624336	264.386	HIWJSPUYQZZDAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034386
O=C(c1sc2c(c1)CCC2)NCC[C@@H]1CCCN1	PC-id_113626812	264.386	VZBNLPFXCUAKSX-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-034387
O=C(c1sc2c(c1)CCC2)NCC[C@H]1CCCN1	PC-id_113634208	264.386	VZBNLPFXCUAKSX-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034388
O=C(c1sc2c(c1)CCC2)NCCCNC1CC1	EMOLS-id_314894248,PC-id_43596473	264.386	JGUQQBHQTQJBJK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034389
O=C(CC1(N)CCC1)NCc1sc2c(c1)CCC2	PC-id_79854104,EMOLS-id_314592241	264.386	XBBGXYHEAFNOHX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034390
O=C([C@H]1CCCCN1)NCc1sc2c(c1)CCC2	PC-id_103809756	264.386	PXCPOYQCMBIZKC-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034391
O=C([C@@H]1CCCCN1)NCc1sc2c(c1)CCC2	PC-id_113266399	264.386	PXCPOYQCMBIZKC-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034392
O=C(N1CC(C(C1)(C)C)N)c1sc2c(c1)CCC2	EMOLS-id_319645036	264.386	FZWTVIULQMPTHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034393
O=C(N1CCCC1)CNCc1sc2c(c1)CCC2	EMOLS-id_314939953,PC-id_61207057	264.386	BBESNPMBSSVUCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034394
O=C(N1CCNC(C1)(C)C)c1sc2c(c1)CCC2	MCULE-4074829243,PC-id_79507270,EMOLS-id_71178412	264.386	HWHOCDGTPGXSCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034395
O=C(N1CCNCC1(C)C)c1sc2c(c1)CCC2	PC-id_65461333,EMOLS-id_315344240	264.386	FGGQPCKJLKBFKT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034396
O=C(NC1CC1)CCNCc1sc2c(c1)CCC2	PC-id_62626830,EMOLS-id_314197271	264.386	UYALGSNWLZTJAR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034397
O=C(N(C1CCNCC1)C)c1sc2c(c1)CCC2	EMOLS-id_301228169,MCULE-6476272429,PC-id_43602187	264.386	BTOWPFJVMMMAPP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034398
O=C(NCC1CC1)CNCc1sc2c(c1)CCC2	EMOLS-id_314099653,PC-id_61207985	264.386	HLJNROAQSZRVNG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034399
O=C(NCc1sc2c(c1)CCC2)CCNC1CC1	PC-id_61208786,EMOLS-id_314938673	264.386	UGWSQUHYZLXIFE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034400
O=C(NCc1sc2c(c1)CCC2)CNCC1CC1	EMOLS-id_314100166,PC-id_61208787	264.386	PQTQVNJGHOKMDL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034401
O=C(NCCN1CCCC1)c1cc2c(s1)CCC2	MCULE-3292890089,EMOLS-id_35684959,PC-id_53500709,ZINC22_65400957	264.386	VGXZYUPPZKXBQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034402
s1c2c(CCC2)cc1CNC1CCCCNC1=O	PC-id_61206693	264.386	XCZOWXDJQCMNOQ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-034403
s1c2c(CCC2)cc1CNC1CCCNC(=O)C1	PC-id_63905232	264.386	CDHQFIXXRNIIFC-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-034404
s1c2c(CCC2)cc1CNC(C(=O)NC1CC1)C	PC-id_61207245	264.386	CJZUGLPUKUNDFX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034405
s1c2c(CCC2)cc1CNC(=O)C1CCCNC1	PC-id_61208590	264.386	NXZUCSCIIJKHEF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034406
s1c2c(CCC2)cc1CNC(=O)C1(CCNC1)C	PC-id_63141475	264.386	TWDFEGAJGQCJEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034407
s1c2c(CCC2)cc1CNC(=O)C1C(CNC1)C	PC-id_63715662	264.386	FXAUWKLXJBEZQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034408
s1c2c(CCC2)cc1CNC(=O)C1CC(N)CC1	PC-id_66007951	264.386	LOFLXYPBUOOECK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034409
s1c2c(CCC2)cc1CNC(=O)C1C(NCC1)C	PC-id_79388869	264.386	OQDOQYPBRRBFHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034410
s1c2c(CCC2)cc1CNC(=O)C1C(N)CCC1	PC-id_64823241	264.386	XCGULKGAOAZCCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034411
s1c2c(CCC2)cc1CNC(=O)C1(NCCC1)C	PC-id_64382761	264.386	JRNRWEZLGWKXLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034412
s1c2c(CCC2)cc1CNC(=O)C1NCCCC1	PC-id_61208770	264.386	PXCPOYQCMBIZKC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034413
s1c2c(CCC2)cc1CNC(=O)CC1CCNC1	PC-id_65956961	264.386	WEZXHYBPQZBTRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034414
s1c2c(CCC2)cc1CNC(=O)CC1NCCC1	PC-id_61363908	264.386	DCXLRGJQHFTAAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034415
s1c2c(CCC2)cc1CNC(=O)CC(N)C1CC1	PC-id_81992428	264.386	BDVNHYIRPDBNPA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034416
s1c2c(CCC2)cc1CNC(=O)[C@H]1CCCNC1	PC-id_81141214	264.386	NXZUCSCIIJKHEF-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-034417
s1c2c(CCC2)cc1CNC(=O)[C@@H]1CCCNC1	PC-id_81141713	264.386	NXZUCSCIIJKHEF-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034418
s1c2c(CCC2)cc1CNC(=O)C(N)(C1CC1)C	PC-id_61208962	264.386	VPYWWQDSAZATAW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034419
s1c2c(CCC2)cc1C(=O)N1CC(CC(N)C1)C	PC-id_79993871	264.386	XCROKUMPTZKGAT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034420
s1c2c(CCC2)cc1C(=O)N1CC(C(N)CC1)C	PC-id_79880488	264.386	YNNUQYPPTLWRFT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034421
s1c2c(CCC2)cc1C(=O)N1C(CC(N)CC1)C	PC-id_81705829	264.386	BDCBZEVHGWSFFJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034422
s1c2c(CCC2)cc1C(=O)N1C(CNCC1C)C	PC-id_63910401	264.386	LIVLCDYQBRBDLQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034423
s1c2c(CCC2)cc1C(=O)N1CC(N)C(CC1)C	PC-id_64015217	264.386	FCHFRFYLQHEBAI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034424
s1c2c(CCC2)cc1C(=O)NC1C(CCC1)CN	PC-id_65817423	264.386	IYCMFPJTFRWBCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034425
s1c2c(CCC2)cc1C(=O)NC1CCCCNC1	PC-id_64005383	264.386	OPSSSPHRTGLWQK-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-034426
s1c2c(CCC2)cc1C(=O)N(C1CCCNC1)C	PC-id_55247769	264.386	FWARFVNAJOXJLD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034427
s1c2c(CCC2)cc1C(=O)N(C1CCNC1)CC	PC-id_55204570	264.386	HHPPIJLYHSYOJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034428
s1c2c(CCC2)cc1C(=O)NC1C(N)CCCC1	PC-id_54905294	264.386	ABZAYZHJUNJXSK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034429
s1c2c(CCC2)cc1C(=O)NCC1NCCCC1	PC-id_61781348	264.386	DISRCWRMVVUMHX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034430
s1c2c(C(CC2)C)c(C(=O)N2CCCCC2)c1N	PC-id_65046645	264.386	XMAFIQQHNPNCCD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034431
s1c2c(CCC2)c(C(=O)N2CCC(CC2)C)c1N	PC-id_20109777	264.386	MLXQBDSWAWGXIF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034432
s1c2c(CCC2)c(C(=O)N2CCCCCC2)c1N	PC-id_20109776	264.386	KWVBXJUVHQXUAN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-034433
s1c2CCCc2nc1NC(=O)CCC1CCCC1	PC-id_33039707	264.386	FLNCUFROIUANMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034434
s1c(nc2c1CCC2)C(NC1CC1)C1CCOC1	PC-id_61333901	264.386	NXVPVJMYGAKSDL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034435
s1c(nc2c1CCC2)C(NC1CC1)C1OCCC1	PC-id_82836996	264.386	GLRSZZLSXUGNDQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034436
CC(N1C(c2c(C1C(C)(C)C)nco2)C(C)(C)C)C	SCHEMBL13012542,PC-id_59616880	264.406	PMHAPMXGRJCFSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034437
OC(c1sc2c(c1)CCC2)CCc1cccs1	PC-id_115800318	264.406	ITDLABUKCBZTKW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034438
OC(c1sc2c(c1)CCC2)CCc1ccsc1	PC-id_113661089	264.406	RMWINFYXTYCQTH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034439
s1c2c(CCC2)cc1C(O)c1c(sc(c1)C)C	PC-id_61087972	264.406	XVOBJLVXQDFVOL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034440
s1c2c(CCC2)cc1C(O)c1sc(cc1)CC	PC-id_61099496	264.406	OABPOLCFOVWXGM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034441
s1c2c(CCC2)cc1C(O)c1sc(cc1C)C	PC-id_81158073	264.406	KCGUIZJXAALDOY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034442
Cc1csc(n1)CC(c1sc2c(c1)CCC2)N	PC-id_105019205	264.41	JOBYJLIMHUIVNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034443
Cc1csc(n1)CNCc1sc2c(c1)CCC2	PC-id_78992534,EMOLS-id_315450408	264.41	SMOVYEKYLXIUMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034444
Cc1ncc(s1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138605,PC-id_61206674	264.41	LOQVLJQYXOHIBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034445
Cc1ncsc1CNCc1sc2c(c1)CCC2	PC-id_65722230,EMOLS-id_41449570	264.41	PCAQTVMDEDUAKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034446
Cc1scc(n1)CC(c1sc2c(c1)CCC2)N	PC-id_113669623	264.41	BNNJFQHWNBKHPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034447
Cc1scc(n1)CNCc1sc2c(c1)CCC2	PC-id_61208750,EMOLS-id_38138569	264.41	GYSZYBSHJQEWPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034448
Cc1sc(nc1C)NCc1sc2c(c1)CCC2	PC-id_65169382,EMOLS-id_41054072	264.41	ODDGGFGRBGKVRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034449
CCc1csc(n1)NCc1sc2c(c1)CCC2	PC-id_62961186,EMOLS-id_39498981	264.41	MVLYNZITJKRDEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034450
CC(c1ncsc1)NCc1sc2c(c1)CCC2	PC-id_115879254	264.41	SPZWXDJUZWFDKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034451
CC(c1scnc1)NCc1sc2c(c1)CCC2	PC-id_113261161	264.41	DRSZIBKBZOCDFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034452
CC(C)C(CNCCc1nnc2n1CCC2)C(C)C	EMOLS-id_73018818,ZINC22_253416275,MCULE-1620844206,PC-id_121538258	264.41	NSHCKXQAYZGGTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034453
CNC(c1sc2c(c1)CCC2)Cc1nccs1	PC-id_105014840	264.41	QWNJBGDTVOLEJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034454
CNC(c1sc2c(c1)CCC2)Cc1scnc1	PC-id_105030264	264.41	LYZKPIHMGWJZGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034455
n12CCCc1nnc2C(NCCCCCCCC)C	PC-id_43748054	264.41	DKPYVTVBVREDLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034456
n12CCCc1nnc2C(NC(CCCCCC)C)C	PC-id_43748121	264.41	IBYYRJQPGPEZJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034457
Nc1ccsc1CNCc1sc2c(c1)CCC2	EMOLS-id_41919762,PC-id_66386785	264.41	CAZKSBSPMTYBMZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034458
N(C(CC(CC)C)CC)C(c1n2CCCc2nn1)C	PC-id_43748124	264.41	XMCJJLQIZNPOTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034459
NNC(c1ccsc1C)c1sc2c(c1)CCC2	PC-id_102843238	264.41	NXZQBFXGJHFCQM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034460
NNC(c1sc2c(c1)CCC2)c1ccc(s1)C	PC-id_105318699	264.41	LEYRIPQANQHSHZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034461
NNC(c1sc2c(c1)CCC2)c1csc(c1)C	PC-id_105313242	264.41	RFOWCAUCGBFFIQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034462
NNC(c1sc2c(c1)CCC2)Cc1cccs1	PC-id_105295488	264.41	ALUJBVSXAPZTKZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034463
NNC(c1sc2c(c1)CCC2)Cc1ccsc1	PC-id_105297741	264.41	GNHNQYRTGICFCS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034464
NNC(c1sccc1C)c1sc2c(c1)CCC2	PC-id_105322377	264.41	FMOVMHOIOSIMIG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034465
s1c2c(CCC2)cc1CNC(C)c1sccn1	PC-id_64993702	264.41	DHKFCIZGSRTKSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034466
s1c2CCCc2nc1C(N)c1c(sc(c1)C)C	PC-id_54977036	264.41	MPNSBNPGSAZDLB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034467
s1c2CCCc2nc1C(N)c1sc(cc1)CC	PC-id_62346463	264.41	PXKOMACSBXVYEW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034468
s1c2CCCc2nc1C(NC)c1sccc1C	PC-id_61346589	264.41	YFDCXMZCVLXOMB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034469
s1c2CCCc2nc1C(NC)c1sc(cc1)C	PC-id_61346797	264.41	AOMDRGPHUOMKJZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034470
s1c2CCCc2nc1C(NCC)c1ccsc1	PC-id_61332015	264.41	FMYWNJMXHIBEER-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034471
s1c2CCCc2nc1C(NCC)c1sccc1	PC-id_61346944	264.41	AFDCSWWIDMSQHI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034472
CC1CC(CCC1C)C(c1sc2c(c1)CCC2)O	PC-id_113662195	264.426	INYASMWHZSVVJJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034473
CC1CC(C)CC(C1)C(c1sc2c(c1)CCC2)O	PC-id_115805717	264.426	ZPKOQAAJTZSYCF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034474
CCC1CCC(CC1)C(c1sc2c(c1)CCC2)O	PC-id_113662343	264.426	QJZGFNXRGIYBQZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034475
CCC1CCCCC1C(c1sc2c(c1)CCC2)O	PC-id_115801651	264.426	XMBFFERSFXDAIH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034476
CCC1CCCC(C1)C(c1sc2c(c1)CCC2)O	PC-id_115808438	264.426	YCKWWXDHYNVNQH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034477
CCCCCCCCC(=O)c1sc2c(c1)CCC2	PC-id_114966899	264.426	QUXGUFQVTWCONS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034478
CCCCC(CC(=O)c1sc2c(c1)CCC2)CC	PC-id_114963744	264.426	KPPFAOOAFGNDLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034479
C1CCN(CC1)CCNCc1sc2c(c1)CCC2	PC-id_104385169,EMOLS-id_315871998	264.429	JASPBBQQHRYQNS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034480
CC(c1sc(c2c1N=NC2(C)C)C(C)(C)C)(C)C	PC-id_102433738	264.429	DOEFFHKCWGPSJP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-034481
CCCC(c1sc2c(n1)CCC2)(NC1CC1)CC	PC-id_114079952	264.429	LQWLRVJGQXSVHL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034482
CC(CN1CCCC1)NCc1sc2c(c1)CCC2	PC-id_104407031	264.429	UKYZXATXUYFKQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034484
CCCNC(c1sc2c(n1)CCC2)(CC1CC1)C	PC-id_113490153	264.429	NJYUZHROBBWORF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034485
CCN1CCC(CC1)NCc1sc2c(c1)CCC2	PC-id_61208148,EMOLS-id_314099652	264.429	CQBNMDWETIJCRS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034486
CC(NC(c1sc2c(n1)CCC2)(CC1CC1)C)C	PC-id_116224319	264.429	DUAZALFRCPPTIP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034487
CCNC(c1sc2c(n1)CCC2)(CC1CCC1)C	PC-id_116224294	264.429	LAEDRBHIWZYCJL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034488
CN1CCC(CC1)CNCc1sc2c(c1)CCC2	EMOLS-id_314234385,PC-id_62659635	264.429	RZHHTQUFLKWWJL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034489
C(NCc1sc2c(c1)CCC2)CCN1CCCC1	EMOLS-id_314124059,PC-id_54961269	264.429	JYOWWZRDKKWTLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034490
NNC(c1sc2c(c1)CCC2)C1CCC(CC1)C	PC-id_105311805	264.429	ZLWNYDWLEKXYLB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034491
NNC(c1sc2c(c1)CCC2)C1CCCC(C1)C	PC-id_105313526	264.429	ATKOBJSXOXMBCF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034492
NNC(c1sc2c(c1)CCC2)C1CCCCCC1	PC-id_105330647	264.429	QCQYPVWXCHJHLB-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-034493
NNC(c1sc2c(c1)CCC2)CC1CCCCC1	PC-id_105296164	264.429	UFQUAQRULOHNDY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034494
s1c2c(CCC2)cc1CNC1CCCN(CC1)C	PC-id_65070345	264.429	ZFTZNZKDJUYNJV-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-034495
s1c2c(CCC2)cc1CNCC1CCCN(C1)C	PC-id_62659634	264.429	ASPFPQQBNAMXIU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034496
s1c2c(CCC2)cc1CNCC1N(CCCC1)C	PC-id_55100373	264.429	CPCMSGXIXNXJOQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034497
s1c2c(CCC2)cc1CNC(CC1NCCC1)C	PC-id_79540054	264.429	OINCOXOEUVCNTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034498
s1c(CNC2C(CCCC2)CN)cc2c1CCC2	PC-id_65841722	264.429	KEKIRLVTSKIVEC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034499
s1c(CNC2CC(N(CC2)C)C)cc2c1CCC2	PC-id_81344544	264.429	SXAGGFBAGWKHMQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034500
s1c(CNC2CN(CC2)C(C)C)cc2c1CCC2	PC-id_61978739	264.429	LZQYLBKGLWFDBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034501
s1c(nc2c1CCC2)C(NC1CC1)(C(CC)C)C	PC-id_61333904	264.429	VNALEGZGNMGQPP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034502
s1c(nc2c1CCC2)C(NC1CC1)(CC(C)C)C	PC-id_61334100	264.429	QLCCRONISHTTAP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034503
s1c(nc2c1CCC2)C(NC1CC1)(C(C)C)CC	PC-id_61334101	264.429	BWAPKHOADPAXPC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034504
s1c(nc2c1CCC2)C(NC1CC1)C(CC)CC	PC-id_61334299	264.429	WPTLREGVEIFZEP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034505
s1c(nc2c1CCC2)C(NC1CC1)CCCCC	PC-id_61335280	264.429	NIHGZYIKBHSNQN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034506
s1c(nc2c1CCC2)C(NC1CC1)C(CCC)C	PC-id_61967002	264.429	ZUCPKTHWPGZLIG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034507
s1c(nc2c1CCC2)C(NC1CC1)CC(C)(C)C	PC-id_62951354	264.429	KQRUOCPNVGNMPE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034508
s1c(nc2c1CCC2)C(NC)(C1CCCCC1)C	PC-id_61329986	264.429	QBACRVWROABWSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034509
s1c(nc2c1CCC2)C(NC)C1CCC(CC1)C	PC-id_65906597	264.429	FGDKLXSDVSUPJO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034510
s1c(nc2c1CCC2)C(NC)C1CC(CCC1)C	PC-id_65921493	264.429	IWUUCQNMLQKYDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034511
s1c(nc2c1CCC2)C(NC)C1CCCCCC1	PC-id_65912089	264.429	QPGZFJCFQPBTLR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034512
s1c(nc2c1CCC2)C(NCC)(C1CCCC1)C	PC-id_55096915	264.429	YBAGWIIEANJJFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034513
s1c(nc2c1CCC2)C(NCC)C1CCCCC1	PC-id_61332197	264.429	SAWPXVHCWHVZSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034514
s1c(nc2c1CCC2)C(NC)CC1CCCCC1	PC-id_80400439	264.429	GVVKJTVEVJVLLE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034515
s1c(nc2c1CCC2)C(NCCC)(C1CC1)CC	PC-id_64917657	264.429	GBTXRKFSPATUMG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034516
s1c(nc2c1CCC2)C(NC(C)C)(C1CC1)CC	PC-id_64918070	264.429	HNTAQBWAGWEVJW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034517
s1c(nc2c1CCC2)C(NC(C)C)(C1(CC1)C)C	PC-id_80289434	264.429	ZPMKXFBKCFWZGC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034518
s1c(nc2c1CCC2)C(NCCC)(C1(CC1)C)C	PC-id_80290508	264.429	OBNSMESMKKOHIS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034519
s1c(nc2c1CCC2)C(NCCC)C1CCCC1	PC-id_55035285	264.429	ZHTKMUPAEQCSJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034520
s1c(nc2c1CCC2)C(NC(C)C)C1CCCC1	PC-id_62070022	264.429	IBZQWXFEFXOUFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034521
CCCCCC1CC(c2c1cc(s2)C(C)C)(C)C	SCHEMBL13920781,PC-id_71027369	264.469	LCXLBSBEYHEHFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034522
CC1=C(C)c2c(C1(C)[Si](C)(C)C)c(c(s2)C)C	PC-id_101951419	264.502	GKSRFYNWLPIPKQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-034523
CC1=C(C)C(c2c1c(C)c(s2)C)(C)[Si](C)(C)C	PC-id_142613456	264.502	OCPNOAJXTYGIKO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-034524
Clc1c[nH]c(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320152795,MCULE-1946947242	264.711	CTJXTGICDDDOSY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-034525
C[C@H](Nc1ncc(Cl)cn1)c1nnc2n1CCC2	PC-id_97802948,ZINC22_97047759	264.714	READBCAAVQNEEL-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-034526
C[C@@H](Nc1ncc(Cl)cn1)c1nnc2n1CCC2	PC-id_97802949,ZINC22_97047760	264.714	READBCAAVQNEEL-SSDOTTSWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-034527
Clc1cnc(nc1)NC(c1nnc2n1CCC2)C	EMOLS-id_49341747,MCULE-1741562273,PC-id_75517708	264.714	READBCAAVQNEEL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-034528
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)F	EMOLS-id_330972927,MCULE-3525053369	264.726	OJEMSAJSQVRMKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034529
c12C(C)CCc1nn(Cc1ccc(cc1Cl)F)c2	EMOLS-id_330998698,MCULE-2224039742	264.726	JEUCFGZZRVPDKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034530
c12C(C)CCc1nn(Cc1c(cccc1F)Cl)c2	EMOLS-id_330998442,MCULE-3019154405	264.726	UMHNBGJOCSXLRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034531
c12C(C)CCc1nn(Cc1ccc(cc1F)Cl)c2	EMOLS-id_331001770,MCULE-6185866749	264.726	HYZMRDDEPPIWDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034532
c12C(C)CCc1nn(Cc1cccc(Cl)c1F)c2	EMOLS-id_331001258,MCULE-1187200110	264.726	LDCLOUHOBXIQKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034533
c12C(C)CCc1nn(Cc1ccc(c(Cl)c1)F)c2	MCULE-7082036553,EMOLS-id_331001002	264.726	FDVHCSQBROLSPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034534
c12C(C)CCc1nn(Cc1cccc(F)c1Cl)c2	MCULE-1514506991,EMOLS-id_330999210	264.726	KGVJEOSDFMNBIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034535
c12C(C)CCc1nn(Cc1ccc(c(F)c1)Cl)c2	MCULE-3550015453,EMOLS-id_330999211	264.726	ILCDVENCHYKISW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034536
c12C(C)CCc1nn(Cc1cc(Cl)cc(F)c1)c2	EMOLS-id_331001514,MCULE-5019023357	264.726	FOABVGZAGZRHSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034537
c12C(C)CCc1nn(Cc1cc(F)ccc1Cl)c2	EMOLS-id_330998954,MCULE-7419473604	264.726	LVTQBFFWHJNKFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034538
CC1CCc2c1c(Cl)nn2Cc1ccccc1F	MCULE-5790047047,EMOLS-id_330975472	264.726	GXNMPFKMUQXLSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034539
CC1CCc2c1c(Cl)nn2Cc1cccc(F)c1	EMOLS-id_330973937,MCULE-3114773335	264.726	JXEHGNHANVPCGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034540
CC1CCc2c1cnn2Cc1cccc(Cl)c1F	EMOLS-id_331015405,MCULE-6560267160	264.726	FAHDZCFMVBMMCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034541
CC1CCc2c1cnn2Cc1cccc(F)c1Cl	MCULE-1863100357,EMOLS-id_331017452	264.726	WBBQNGQUQSTWJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034542
CC1CCc2c1cnn2Cc1ccc(Cl)cc1F	EMOLS-id_331015917,MCULE-2657496995	264.726	IENBIBPDNASZEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034543
CC1CCc2c1cnn2Cc1ccc(Cl)c(F)c1	MCULE-5945388564,EMOLS-id_331017453	264.726	CWDGDAFDFWMUIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034544
CC1CCc2c1cnn2Cc1ccc(F)cc1Cl	EMOLS-id_331016940,MCULE-5337078862	264.726	ZZTVWZUPBTZNIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034545
CC1CCc2c1cnn2Cc1ccc(F)c(Cl)c1	MCULE-8900200908,EMOLS-id_331015149	264.726	YJXPEDXUBWLOCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034546
CC1CCc2c1cnn2Cc1cc(F)ccc1Cl	MCULE-9181593310,EMOLS-id_331017196	264.726	VXGYTCIJRMXICS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034547
CC1CCc2c1cnn2Cc1cc(F)cc(Cl)c1	MCULE-1602841158,EMOLS-id_331015661	264.726	OZHAEQBVTVZLIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034548
CC1CCc2c1cnn2Cc1c(F)cccc1Cl	EMOLS-id_331016684,MCULE-2781844628	264.726	AFIGKTFNDZWNIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034549
CC1CCc2nn(Cc3ccccc3F)c(Cl)c12	EMOLS-id_331021996,MCULE-7519543857	264.726	OUUGMGFNKKDUQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034550
CC1CCc2nn(Cc3cccc(F)c3)c(Cl)c12	EMOLS-id_331020461,MCULE-4695261876	264.726	NWRMVGLMAZPPFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034551
CC1CCc2nn(Cc3ccc(F)cc3)c(Cl)c12	EMOLS-id_331019436,MCULE-6250449314	264.726	SDQGSVZPGLLBHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034552
Clc1ccc(C(=O)c2n3CCSc3nc2)cc1	PC-id_15507264	264.731	RNQTUVVYCDCWBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034553
ClCS(=O)(=O)N(Cc1n2CCCc2nn1)C	EMOLS-id_39940422,PC-id_63666399	264.732	QAEODFYHXCPVJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034554
ClCS(=O)(=O)NC(c1n2CCCc2nn1)C	PC-id_63664536,EMOLS-id_39940644	264.732	SEMXCRQDUYLSKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034555
CN(CCCl)CC#CCC1C(=O)Cn2c1ccc2	PC-id_90477049	264.751	BAYPIZSQQAEFSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034556
Clc1ccccc1C(c1sc2c(c1)CCC2)O	PC-id_114980437	264.77	FCANYKVNIDGDCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034557
Clc1cccc(c1)C(c1sc2c(c1)CCC2)O	PC-id_114982338	264.77	NHMIVNQWXVNQIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034558
Clc1ccc(C(O)c2sc3c(CCC3)c2)cc1	PC-id_61099354	264.77	QUVKEZGGMYHTSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034559
c1(C(N)c2ccccc2Cl)sc2c(CCC2)n1	PC-id_61331289,MCULE-8733994890	264.774	MHSPFOOCCQJXJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034560
Cc1cncc(c1)NC1CCc2c1cc(s2)Cl	PC-id_103932376	264.774	JRLSMPQWJJRZMT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034561
Clc1ccccc1CSc1cn2CCCc2n1	CHEBI:108207,ChEMBL-DNDi_CHEMBL1461809,ZINC22_435674,CHEMBL1461809,PC-id_870163,SPECS-id_AH-262/37262008,MCULE-3383289454,CoCoCo_698323,EMOLS-id_1990631,TIMTEC23798,STOCK1S-93952	264.774	KKUQCSKFYZAODQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034562
Clc1ccc(cc1)CSc1cn2c(n1)CCC2	CoCoCo_610194,TIMTEC23799,BindingDB_PC-id_759935,PC-id_759935,ZINC22_227358,CHEMBL1373692,EMOLS-id_2341122,CK1917815,STOCK1S-29136,ChEMBL-DNDi_CHEMBL1373692,MCULE-1670952477,ChEMBL-DNDi_CHEMBL3474-0213,SPECS-id_AH-262/34614060,BindingDB-id_130269	264.774	UDPSJSXSZKJVPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034563
Clc1cccc(n1)NCc1sc2c(c1)CCC2	PC-id_106194046	264.774	WZFJCCGQBQXDHC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034564
Clc1ccc(C(N)c2sc3CCCc3n2)cc1	PC-id_61333070	264.774	QEBGMRNMKGORES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034565
Clc1ccc(nc1)NCc1sc2c(c1)CCC2	PC-id_61208381,EMOLS-id_38138751	264.774	NUTJRDPYCFPNPT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034566
Clc1cccnc1NCc1sc2c(c1)CCC2	PC-id_61208383,EMOLS-id_38138753	264.774	OUVHPURDBZUYNZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034567
Clc1cc(C(N)c2sc3CCCc3n2)ccc1	PC-id_61330102	264.774	ASENPBFUWSVYAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034568
Clc1c(NCc2sc3CCCc3c2)ccnc1	EMOLS-id_42549233,PC-id_79838655	264.774	QDWAGFZMPJQGLC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034569
Clc1nccc(c1)NCc1sc2c(c1)CCC2	PC-id_103756569	264.774	FDMHBJATSUFVPM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034570
Clc1n(nc2c1CSC2)Cc1ccc(cc1)C	PC-id_83192572	264.774	GLNFMEVUOPGFAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034571
Clc1n(nc2c1CSC2)Cc1c(cccc1)C	PC-id_83192576	264.774	GXTNFLAMGAHVFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034572
Clc1n(nc2c1CSC2)Cc1cc(ccc1)C	PC-id_83192577	264.774	PUDPCPDPYKITGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034573
Clc1sc2CCC(Nc3c(ccnc3)C)c2c1	PC-id_81251971	264.774	IPMMZNFMLWFYCD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034574
Clc1sc2CCC(Nc3ccc(nc3)C)c2c1	PC-id_81546175	264.774	PIELZIKWBIAWAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034575
Clc1sc2CCC(Nc3c(nccc3)C)c2c1	PC-id_81252713	264.774	BCFDNPHESPUVAW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034576
Clc1sc2CCC(NCc3cccnc3)c2c1	PC-id_81252888	264.774	DXLQPLUBHBBBBI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034577
Clc1sc2CCC(NCc3ccncc3)c2c1	PC-id_81252887	264.774	FPZAUJTVMWQMBH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034578
Clc1sc2CCC(NCc3ncccc3)c2c1	PC-id_81252375	264.774	FIZLXKFNELWKEM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034579
[Te]1c2c(scc2)N(C1=C)C	PC-id_86150781	264.802	SRCIIJYTGAENFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034580
C1C2=C(C(=NN2CC1(F)F)C(=O)[O-])Br	PC-id_150806878	264.943	KHBCGTKHQYMFLP-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-034581
C1=CSC2=C1[C@H]([C@@H](C2=O)O)NC(=O)C(F)(F)F	PC-id_153785729	265.002	WLZXPAPFXJUWTE-UHNVWZDZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034582
CCC1=C(SC2=C1C(=O)N(C2=O)C)C([AlH2])[AlH2]	PC-id_163535035	265.03	DWFCQKNHNZEPDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034583
CC1=C(N2CCCC2=C1)C(=O)C3=CC=C(S3)Cl	PC-id_153818993	265.033	KJUCVXACDOHMGN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-034584
CO[C@@H]1C[C@H](C2=C1SC=C2)NC(=O)C(F)(F)F	PC-id_153785720	265.038	SWDUFUMSHMAWNH-RNFRBKRXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034585
CCOC(=O)C1=C2CCCN2C(=C1C)C(=O)C(=O)O	EMOLS-id_324194122,PC-id_154663312	265.095	VNYKDEXSEBJOQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034586
Brc1nn(c2c1C(F)(F)CC2)C(C)C	PC-id_105515235	265.098	TVLPSNXEILVMAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034587
CC1CCc2c1c(Br)nn2CC(F)F	EMOLS-id_330970872,MCULE-3269845960	265.098	GKQFINABZWKZGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034588
CC1CCc2nn(CC(F)F)c(Br)c12	EMOLS-id_331019690,MCULE-8084031990	265.098	SDMIZPKSCONQFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034589
CCCCC(CC)CC1=C2C(=CS1)C(=O)NC2=O	PC-id_154461853	265.114	LVXMBXPULKQTTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034590
c12CN(Cc1scc2I)C	EMOLS-id_330874695,MCULE-4040663935	265.115	XMROVDZEJPAAKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034591
Ic1nc2c(s1)CCC2C	PC-id_70792348,SCHEMBL12877270	265.115	WRDTYFPRNQANFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034592
CCC1c2cc(nn2CS1(=O)=O)Br	PC-id_140921334	265.128	IGFVVUJECWTKJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034593
CCn1nc2c(c1Br)CS(=O)(=O)C2	PC-id_105515291	265.128	QLFCPZUDBLKHFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034594
CCn1nc(c2c1CS(=O)(=O)C2)Br	PC-id_105515287	265.128	DSAKKVZGJVGYAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034595
Brc1c2SCCc2sc1C(=O)O	PC-id_82379848	265.147	IMOUBKOISDIFKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034596
C1c2c(CS1)sc(c2Br)OC=O	SCHEMBL15202665,PC-id_89762188	265.147	OMHGSQLIDOXKBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034597
c1(C(=O)O)c2CSCc2sc1Br	MCULE-9390790688,PC-id_83679809,EMOLS-id_331059499	265.147	FFVKUTFEUKQTSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034598
c1(C(=O)O)sc2CSCc2c1Br	SCHEMBL15194099,MCULE-3439244276,PC-id_89755421,EMOLS-id_330873410	265.147	KRRKATHQTPNITG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034599
CC1=C(S(=O)(=O)c2c1scc2)Br	PC-id_135070723	265.147	ZEUHTQIQNRZJAR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-034600
CC(C)(C)N1C=C2CN(CC2=N1)C(=O)OC(C)(C)C	PC-id_155096383	265.179	FJYTTWSCTAVIHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034601
OCC(C(F)(F)F)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_319253037	265.189	UVPRIWTVGASJSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034602
c1(CBr)c2CSCc2sc1OC	EMOLS-id_331059498,MCULE-6273320198	265.19	PXJYURMXZWBRIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034603
c12CN(Cc1nn(CCF)c2C=O)CC(F)(F)F	MCULE-2795314665,EMOLS-id_324349030	265.207	SCVRMWCEYHTATL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034604
OC(=O)c1cc2CN(Cc2s1)C(=O)C(F)(F)F	EMOLS-id_331236382	265.209	WKRHQMPIHKXHLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034605
s1c2c([C@H](NC(=O)C(F)(F)F)[C@H](O)C2=O)cc1	PC-id_23242637	265.209	WLZXPAPFXJUWTE-WHFBIAKZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034606
s1c2c([C@H](NC(=O)C(F)(F)F)[C@@H](O)C2=O)cc1	PC-id_23242638	265.209	WLZXPAPFXJUWTE-CRCLSJGQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034607
s1c2c(C(NC(=O)C(F)(F)F)C(O)C2=O)cc1	PC-id_14144509	265.209	WLZXPAPFXJUWTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034608
NC(=O)CCC(N1C(=O)c2c(C1=O)[nH]cn2)C(=O)N	PC-id_142676188	265.225	WBHMGNDHFCIHPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034609
CC(C1(CC(c2cccn12)(C(F)(F)F)O)O)OC	PC-id_134471714,SCHEMBL20109737	265.229	CGTYTVUYTBQMPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034610
CCOC(=O)C1CCc2c1nc(s2)C(F)(F)F	PC-id_104287192	265.252	PKXFLKXVELPKAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034611
OC(=O)C1CCc2c1nc(s2)CCC(F)(F)F	PC-id_104287239	265.252	BQVMXOOEKBISAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034612
s1c2CCCc2cc1C(=O)NOCC(F)(F)F	PC-id_81340106	265.252	BSQWZLPXBGFXQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034613
O=C(Nc1sc2c(n1)CCC2)NCC(F)(F)F	PC-id_116654777	265.255	LZUHNWYHHMDPBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034614
N#CC1CC(CN1C(=O)c1[nH]c2c(c1)CCC2)(F)F	EMOLS-id_319474749	265.259	HMBWDGYVRQODPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034615
CCOC(=O)C([N+](=O)[O-])Cc1oc2=CC(C=c2c1)C	PC-id_143212160	265.262	XWPWILKJIQPZOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034616
CCOC(=O)C(=O)c1c2CCCn2c(c1C)C(=O)O	PC-id_134285254,SCHEMBL19900975	265.262	NVQPTMNVDJBBGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034617
O[C@@H]1C[C@@](C1)(NC(=O)c1occ2c1CCC2)C(=O)O	EMOLS-id_319562363	265.262	UVBRVNRSXIJUSV-KTLJEJPDSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034618
CC1(C)N(Cc2c(n[nH]c12)C(=O)O)C(=O)OCC=C	EMOLS-id_331240730	265.265	IBVMQQNVTJUCBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034619
CCOC(=O)c1c2c(CN(C(=O)OCC=C)C2)[nH]n1	EMOLS-id_323898552,MCULE-5509594443	265.265	GTJDSAGJLWRGGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034620
CCOC(=O)C1=C(C(=O)OCC)c2n(C1)c(C)nn2	PC-id_17885965,SCHEMBL2269004	265.265	ROOFXDVRZSSEBL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-034621
CCOC(=O)c1cn2c(c1C(=O)OCC)N=NC2C	PC-id_67341652,SCHEMBL2269007	265.265	GHCZPQKSEMZSLC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-034622
OC(=O)C1(CCCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_320200678,MCULE-4901280562	265.265	XUERBXITHAZJHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034623
OC(=O)C1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_316598551	265.265	LXESQOMGOQZHLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034624
OC(=O)c1c(CNC(=O)OCC=C)nn2CCCc12	EMOLS-id_331239450	265.265	DAWJBLJXCYTWGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034625
O(C(=O)C1=C(n2c(ncc2)C1N(C)C)C(=O)OC)C	PC-id_10038487	265.265	ZMVDWUKWHOYQNT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-034626
OC(=O)C1COCCN1C(=O)c1cnn2c1CCC2	PC-id_146135966	265.265	QVWSZAYRSOUGFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034627
O(C(=O)C1n2c(ncc2)C(=C1C(=O)OC)N(C)C)C	PC-id_10106904	265.265	WLAQHYFELVCXKW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-034628
OC(=O)CC1(CCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_319755356	265.265	HUUSKCBTZJOGJU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034629
OC(=O)[C@H]1CCCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_278703210	265.265	AHNSWMRIQIPEEV-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034630
OC(=O)[C@H]1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_319734226	265.265	LXESQOMGOQZHLF-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034631
O=C(O)[C@@H]1COCCN1C(=O)c1cnn2c1CCC2	ZINC22_663028135	265.265	QVWSZAYRSOUGFH-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-034632
O=C(O)[C@H]1COCCN1C(=O)c1cnn2c1CCC2	ZINC22_663028137	265.265	QVWSZAYRSOUGFH-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034633
OC(=O)C(N(C(=O)c1nn2c(c1)OCC2)C1CC1)C	EMOLS-id_278687543	265.265	KJWLNHHXIAPKLS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034634
OC(=O)CN(C(=O)c1nn2c(c1)OCC2)C1CCC1	EMOLS-id_319018797	265.265	GJIWOGYDBNKPAA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034635
CON1CCN(NC(=O)c2cn3c(n2)CCC3)C1=O	ZINC22_2325803686	265.269	VILCBXVBGJENAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034636
CC(CCS(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_319470805	265.28	VCVISJIZTCWLCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034637
CC(CCS(=O)(=O)N1CCn2c1ccn2)(F)F	EMOLS-id_319381677	265.28	ZNAWIQYXNDSDFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034638
[O-]c1[n+]2CCCc2oc1S(=O)(=O)c1ccccc1	PC-id_102495928	265.285	VGJWLSINTAIQEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034639
O=C(Nc1sc2c(n1)CCC2)COc1ccon1	EMOLS-id_319966009,MCULE-4859715041	265.288	XSWMTIYETSZDJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034640
OC(=O)C1CCc2c1nc(s2)NCc1ccno1	PC-id_106424113	265.288	RWIQKTCFFZRNIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034641
OC(=O)C1CCc2c1nc(s2)NCc1nocc1	PC-id_104289133	265.288	NYGASNYLVPWOHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034642
c1(N(=O)=O)ncn(C)c1Sc1cn2c(CCC2)n1	CK1916503,ZINC22_285521,MCULE-5482475366,PC-id_787434,EMOLS-id_2012390,ChEMBL-DNDi_CHEMBL5169015,STOCK1S-95382	265.292	LWCYHHMYVMUFEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034643
OC(=O)C1CCc2c1nc(s2)NCc1ncn[nH]1	PC-id_113395805	265.292	KNNICIVTKRLINW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034644
O=S(=O)(Nc1ncccn1)c1cnc2n1CCC2	MCULE-8871709927,ZINC22_328600931,EMOLS-id_97700480	265.292	DOTLDCFTBLEDLO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-034645
FC(OCCNCc1sc2c(c1)CCC2)(F)F	PC-id_65803633,EMOLS-id_41475365	265.295	CKAWYMGFAVHUPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034646
OC(C(F)(F)F)CNCc1sc2c(c1)CCC2	EMOLS-id_40111006,PC-id_63899636	265.295	SOOGJLYXWNBWLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034647
O=C(NCc1nnc2n1CCC2)Nc1nncs1	ZINC22_43129501,CHEMBL4545515,PC-id_51080053,EMOLS-id_31941035,MCULE-8776470351	265.295	YSOZMUMSSDUNLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034648
S1CCn2c1nnc2NC(=O)CCn1ncnc1	PC-id_73293213	265.295	SKAULWZTEVEEPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034649
CN(C)Cc1c2CSCc2nn1CC(F)(F)F	EMOLS-id_324397406,MCULE-6061156499	265.298	CWNANTLSCAZMCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034650
CC(C)(C)c1c2c(c(o1)C(C)(C)C)C(=O)N(C2=O)O	SCHEMBL20091288,PC-id_134454945	265.305	IYFOGUZAQKGSOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034651
CCN(C(=O)c1occ2c1CCC2)[C@@H]1COC[C@H]1O	EMOLS-id_319536259	265.305	VTPGWQWLERTBCC-VXGBXAGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034652
CCOC(=O)C1CCn2c1c(C(=O)OCC)c(c2)C	SCHEMBL10643959,PC-id_13424017	265.305	BMFROKOXONWDBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034653
COCn1c(cc2c1C(=O)CC2C(C)C)C(=O)OC	PC-id_101036642	265.305	SKQKCDXQZZTZON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034654
COC(=O)C1Cc2c(C1)cn(c2)C(=O)OC(C)(C)C	PC-id_15814437,SCHEMBL7816343	265.305	HPBFVNPDYBNZGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034655
O=C(c1c2CCCn2c(c1C)C(=O)O)OC(C)(C)C	PC-id_139434858,SCHEMBL21296693	265.305	STAYLHUAGPZAOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034656
OCC1(C)CC(CN1C(=O)c1occ2c1CCC2)O	EMOLS-id_316599440,MCULE-4720668843	265.305	XXFUHSDSKCFIKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034657
OCC1CC(CN1C(=O)c1occ2c1CCC2)CO	EMOLS-id_318863369	265.305	IKJTVHDLHXNLCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034658
OCC1(CO)CCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_278976772	265.305	GUINNAPRVCTNIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034659
C#Cc1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1005519,PC-id_59180051	265.306	QYQIAOCZHAALDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034660
c12CN(Cc1cnn2CCO)C(=O)C1CCCCO1	EMOLS-id_49889423,PC-id_77091789,MCULE-2824682147	265.308	ULKPNZULFRGROK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034661
c12CN(Cc1nn(CC1CCC1)c2CO)C(=O)OC	MCULE-4718620933,EMOLS-id_324348778	265.308	FWPURHSCXUFUFV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034662
c12CN(Cc1nn(CC(C)C)c2C=O)C(=O)OCC	MCULE-6705819433,EMOLS-id_324347751	265.308	AZVUCZFBBDRNPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034663
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CO)(O)C1	MCULE-6103998758,PC-id_56896390,EMOLS-id_43115913	265.308	NMSBQUJHYNLIIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034664
C1CCN(C(C1)CCO)C(=O)c1nn2CCOc2c1	PC-id_91959898	265.308	FQVGNTHCLFDLAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034665
c1(C(=O)N(C)CCC(=O)OCC)c2CCCc2[nH]n1	MCULE-7295315319,EMOLS-id_334752484	265.308	OVMSAXZAPIYGAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034666
c1(C(=O)N[C@@H]2CCOC[C@H]2OC)c2CCCc2[nH]n1	EMOLS-id_55678595,MCULE-7641136306,ZINC22_222767169	265.308	OOPROAIIWONADK-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034667
c1(C(=O)N[C@@H](C(C)C)C(=O)OC)c2CCCc2[nH]n1	EMOLS-id_323259062,MCULE-5985342501	265.308	BCGKVMWDIJXHTR-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034668
CC1CN(CC(O1)C)C(=O)c1nn2CCOc2c1C	PC-id_91959965	265.308	HQIQFIKKSVXLEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034669
CC1(C)OCC(NC(=O)c2n[nH]c3c2CCC3)CO1	ZINC22_754652329	265.308	DHAIRCCZJBDYJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034670
CC1OCCC1(O)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111969103	265.308	KJHMLSBZEQWXFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034671
CC(C1CCCOC1)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_99597399	265.308	RRXNXGAGVJXCTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034672
CCC1(CCOCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99799097	265.308	BTWLKUAPJVXGFY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034673
CCC1(C)COCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_99657763	265.308	LHBYCVLZCSXALK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034674
CCC1COC(CN1C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_111132725	265.308	SRFVAGJCYQEFDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034675
CCC1(O)CCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99576871	265.308	ZOBOOPKEFOIJKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034676
CC(CC1CCCN1C(=O)c1nn2c(c1)OCC2)O	EMOLS-id_318175543	265.308	ZYXADCZOBLHPSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034677
CC(CC1(O)CCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318902230	265.308	OENKVOVDKAIUED-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034678
CCCCC(C(=O)O)NC(=O)c1cnn2c1CCC2	PC-id_121898773,MCULE-7322708803,EMOLS-id_303135563	265.308	IVHAPENPXJOCPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034679
CC(C)CC(C(=O)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_91645213	265.308	OIOLHZGHDXXYOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034680
CCCC[C@@H](C(=O)O)NC(=O)c1cnn2c1CCC2	PC-id_121899669	265.308	IVHAPENPXJOCPM-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034681
CC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)O	EMOLS-id_50338763,MCULE-4220529019,ZINC22_170047883,MCULE-5943673357	265.308	OIOLHZGHDXXYOK-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034682
CCCC(C(=O)O)(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_316535587	265.308	REIIWLVJIWDCQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034683
CC(CC(C(=O)O)NC(=O)c1cnn2c1CCC2)C	PC-id_121898820	265.308	LQSWVICEGJVYIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034684
CC(C[C@@H](C(=O)O)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_72505618,MCULE-4410760503,PC-id_121897739	265.308	LQSWVICEGJVYIU-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034685
CC(C[C@H](C(=O)O)NC(=O)c1cnn2c1CCC2)C	PC-id_121897826,MCULE-8990248315,EMOLS-id_72505782	265.308	LQSWVICEGJVYIU-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034686
CC(C)(C)OC(=O)CCC(=O)N1CCn2ccnc12	ZINC22_585122488,MCULE-8549506883,EMOLS-id_177338239	265.308	PLFBYYJBKQOQGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034687
CC(C)(C)OC(=O)NC(C=O)c1n[nH]c2CCCc12	MCULE-4839215345,EMOLS-id_313950825	265.308	DUWZTFVKNAYKSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034688
CC[C@@H]([C@@H](C(=O)O)NC(=O)c1cnn2c1CCC2)C	MCULE-5960564305,PC-id_121898253,EMOLS-id_72506464	265.308	PJDOITHHRMHFEQ-KWQFWETISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034689
CCCN1Cc2c(C1=O)c(c(n2N)C(=O)OCC)C	PC-id_58592423,SCHEMBL13083644	265.308	CRZHVQDMEASYIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034690
CCCN1C=c2c(c(c(=C(O)OCC)n2N)C)C1=O	PC-id_91066746	265.308	CQMLHLPPFUZPCA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-034691
CCn1nc2c(c1C=O)CN(C2)C(=O)OC(C)(C)C	PC-id_105515546	265.308	GFZFKLYDQAMPMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034692
CCn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C=O	PC-id_105515544	265.308	NKCXAUZRAJOZMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034693
CCN(C(=O)c1cnn2c1CCC2)[C@@H]1COC[C@H]1O	EMOLS-id_318943240	265.308	UCNQJLNCOZPGEI-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034694
CCN(C(=O)c1nn2c(c1)CCC2)[C@@H]1COC[C@H]1O	MCULE-9225869312,EMOLS-id_320262215	265.308	YDSJNUKMSSGIDG-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034695
CCN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1COC[C@H]1O	MCULE-1615859268,EMOLS-id_320222769	265.308	FLQHKQBQPQUZOP-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034696
CCO[C@@H]1CCC[C@H]1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_101499546	265.308	ZPQIFERBNUMGOW-MWLCHTKSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034697
CC(O[C@@H]1C[C@@H](C1)NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_101524113	265.308	YZTVEHJUHRFNPK-AOOOYVTPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034698
CCO[C@@H]1COC[C@H]1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101497110	265.308	IFVCDPHWDURRNP-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034699
COC1CC(C1(C)C)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_99580505	265.308	ZSTVTUCLXCUPCB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034700
COC1(CCC1)C(NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_101684153	265.308	OTQDSKCXXJVQIW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034701
COC1CCCC1CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_99598719	265.308	ZZZXIPABQCVQON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034702
COC1CCN(C(C1)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99620229	265.308	BRQGMQYITUIVIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034703
COC1COCCC1NC(=O)c1n[nH]c2c1CCC2	PC-id_91786522	265.308	OOPROAIIWONADK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034704
COC1(OC)CC(C1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_258110436,MCULE-9189367872	265.308	XIUQSAIXWHEATR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034705
COCC1CCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99576637	265.308	HTOPOEYXSYGLSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034706
COCCNC(=O)c1oc2c(n1)CN(C2)CC1CC1	PC-id_97525767	265.308	KJORPGDXJXIIRY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-034707
CO[C@@H]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]1O	ZINC22_257200586,PC-id_110125170,MCULE-6640580401,BDE-33841730	265.308	ADYBCRWNKFBJAU-CKYFFXLPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034708
CO[C@@H]1CCOC[C@H]1NC(=O)c1n[nH]c2c1CCC2	MCULE-6309433947,ZINC22_889197297,PC-id_136587633,EMOLS-id_316976325	265.308	YIDOWKFPEBZOQL-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034709
CO[C@H]1CCOC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_1857529186	265.308	YIDOWKFPEBZOQL-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034710
CO[C@H]1COCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_1565525821	265.308	OOPROAIIWONADK-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034711
NC(=O)C(c1[nH]cc2c1C(C)(C)CC2(C)C(=O)N)O	PC-id_53964198	265.308	JNBFRBCEWDVUFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034712
O1CCN(Cc2n(c3CCC(c3n2)C(=O)O)C)CC1	PC-id_84010994	265.308	MTGFJPQUNOYYEZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034713
OC1CCC(CC1)NC(=O)c1nn2c(c1C)OCC2	PC-id_100815415	265.308	AHIBZSISBTTYAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034714
OC1CCN(CC1(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99598197	265.308	PPKFKUQKSGDAJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034715
O=C(c1cc2n(n1)CCO2)N1CCCC(CC1)(C)O	EMOLS-id_99614946	265.308	GUJOWBVLAUASGH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034716
OCC1(C)CC(CN1C(=O)c1n[nH]c2c1CCC2)O	EMOLS-id_319055406	265.308	AOSBXPIAUQUNJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034717
OCC1CCCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99289525	265.308	VUKABKROFJPSDI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034718
OCC1(C)CCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99598965	265.308	NJGNWAZFGAAFOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034719
OCC1(CCOCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111134186	265.308	FYYJSFLDSVNSHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034720
O=C(C1(C)COC(OC1)(C)C)N1CCn2c1ncc2	EMOLS-id_316582607	265.308	FTUMNMBDIIMWHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034721
OCC1(CO)CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319440569	265.308	VJGWTRRKZKKIAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034722
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@](O)(CO)C1	PC-id_95721005,ZINC22_72154926	265.308	NMSBQUJHYNLIIP-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034723
O=C(c1n[nH]c2c1CCC2)N1CCC[C@](O)(CO)C1	ZINC22_72154925,PC-id_95721004	265.308	NMSBQUJHYNLIIP-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034724
O=C(c1n[nH]c2c1CCC2)NCC1(O)CCOCC1	EMOLS-id_111537576	265.308	QSVXBNZEMOUQLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034725
OCC1OC(C)CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111339517	265.308	XYMHZLQMXOPRGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034726
OCC1OCC(N(C1)C(=O)c1n[nH]c2c1CCC2)C	PC-id_112344427	265.308	HBGMOPGSRKEUAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034727
O=C(CC1(O)COCC1)NCc1n[nH]c2c1CCC2	MCULE-1864638148,EMOLS-id_320274582	265.308	VUEGMXDQGNYGOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034728
O=C([C@@H]1CCCCO1)N1Cc2cnn(CCO)c2C1	PC-id_99943875,ZINC22_216021117	265.308	ULKPNZULFRGROK-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034729
O=C([C@H]1CCCCO1)N1Cc2cnn(CCO)c2C1	PC-id_99943877,ZINC22_216021166	265.308	ULKPNZULFRGROK-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034730
OC[C@@H]1CC[C@H](N1C(=O)c1cnn2c1CCC2)CO	EMOLS-id_278961861	265.308	LOFDOPQKIGCOPL-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034731
OC[C@@H]1CC[C@H](N1C(=O)c1n[nH]c2c1CCC2)CO	EMOLS-id_318975791	265.308	PHVLINCVPFQONU-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034732
OC[C@@H]1COCCN1C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319108439	265.308	JWQYZCZWVKWEPK-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034733
O=C([C@@H]1COC(O1)(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_319096139	265.308	COLFQVZQVQUTPL-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034734
OCCN1Cc2c(C1)nc(o2)C(=O)NC1CCCC1	PC-id_97416010	265.308	RLXOYWLKTIESTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034735
OC(=O)CCC(NC(=O)c1cnn2c1CCC2)(C)C	MCULE-7355521091,PC-id_121897543,EMOLS-id_72505224	265.308	GSEVOMZQPKVALX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034736
OC(=O)CCN(C(=O)c1cnn2c1CCC2)C(C)C	EMOLS-id_318132670	265.308	JCSUEHHPPAVVGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034737
OC(=O)[C@@H]1[C@@H](C)OCCN1Cc1cnc2n1CCC2	EMOLS-id_319943774,MCULE-2678901996	265.308	PFHVSCZSHWLRTO-SKDRFNHKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034738
OC(=O)CN1Cc2c(C1)nc(o2)CN1CCCCC1	PC-id_97406074	265.308	POFJNGXAPLAEMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034739
Nc1cccc(n1)C#Cc1cn2c(c1)C(=O)C(C2)(C)C	SCHEMBL14249039,PC-id_71117600	265.31	ITEYDKAHXDZHMA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-034740
N#CCCn1nc(c2c1CCC2=O)Cc1ccccc1	PC-id_22732936,SCHEMBL6165037	265.31	ZAFCTBSQWNRJTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034741
O=C(c1n2CCCc2c(c1N)C#N)c1ccc(cc1)C	PC-id_85628379	265.31	DAKIVNMKGADRKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034742
CC1CC(c2n1ncn2)NCCCN1CCOC1=O	EMOLS-id_258182178,MCULE-2166847571	265.312	BMLLBWFTEQHELE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034743
CCN(C(=O)N1Cc2c(C1C(=O)N)c[nH]n2)C(C)C	EMOLS-id_320128622,MCULE-8382521849	265.312	SEIMIDJMSACRQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034744
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)C(C)C	SCHEMBL2922896,PC-id_68442193	265.312	FMJBGTQDFNBKIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034745
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)CC(C)C	PC-id_58440904,SCHEMBL12307456	265.312	MNFNAAODMRQKCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034746
n12CCCc1nnc2CNC(=O)CC1COCCN1	MCULE-9493523161,EMOLS-id_43105093,PC-id_56893738	265.312	DGDXSUROEIJARK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034747
O1C(CCC1)CNC(=O)NCc1n2CCCc2nn1	PC-id_53502203,MCULE-9830525659,EMOLS-id_35711584	265.312	UEFRMPDSHLXOJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034748
O1CC(C(N)C1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_66235430	265.312	JTTVXBLCCCVEHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034749
O1CC(C(N)C1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_66239824	265.312	FWVNYUFTEHMNGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034750
O1C(CNCC1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_61736701	265.312	ZLAPMAHZTLOHDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034751
O1C(CNCC1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_61740835	265.312	LQCOELNCNWSRRK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034752
O1CC(N)(CC1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_64892356	265.312	KVRDRKKPEMSQMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034753
O1CC(N)(CC1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_64893745	265.312	JNJHZLHFXJFLFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034754
O1CC(NCC1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_65518835	265.312	PLNGGTUDUQVQBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034755
O1CC(NCC1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_65520204	265.312	QRJZKIZBTQAULO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034756
OC1CC(NC1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_43698153	265.312	DGZBVQLSPIEHOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034757
OC1CC(NC1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_54872762	265.312	SVZCLPDJEGQLEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034758
O=C(C[C@@H]1COCCN1)NCc1nnc2n1CCC2	PC-id_95717466,ZINC22_72149149	265.312	DGDXSUROEIJARK-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034759
O=C(C[C@H]1COCCN1)NCc1nnc2n1CCC2	PC-id_95717467,ZINC22_72149150	265.312	DGDXSUROEIJARK-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-034760
O=C(NCc1nnc2n1CCC2)NC[C@@H]1CCCO1	PC-id_95129787,ZINC22_65411464	265.312	UEFRMPDSHLXOJN-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-034761
O=C(NCc1nnc2n1CCC2)NC[C@H]1CCCO1	PC-id_95129788,ZINC22_65411466	265.312	UEFRMPDSHLXOJN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034762
c1ccc(c2nccn2Cc2nnc3n2CCC3)cc1	MCULE-1657814258,ZINC22_1875246689,EMOLS-id_331091758	265.313	FIMSOFXQZZOJER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-034763
Fc1cccc(c1C(c1sc2c(c1)CCC2)N)F	PC-id_115859720	265.322	CCQWBUQBUADITR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034764
Fc1cc(F)cc(c1)C(c1sc2c(c1)CCC2)N	PC-id_113666914	265.322	VYTWCMIGWBBIQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034765
NC(c1cccc(c1F)F)c1sc2c(c1)CCC2	PC-id_115861830	265.322	RACVCWAFGYBABC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034766
s1c2c(CCC2)cc1C(N)c1cc(F)c(F)cc1	PC-id_43384378	265.322	PTQQKMSFPCGSDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034767
s1c2c(CCC2)cc1C(N)c1c(F)ccc(F)c1	PC-id_43384394	265.322	WWRWNEJFMDKEKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034768
s1c2c(CCC2)cc1C(N)c1c(F)cc(F)cc1	PC-id_43384390	265.322	YRCHGFBRTPWACM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034769
FC1CCC(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319782398	265.327	RCFSHPPNJCMHQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034770
FC1CCC(CC1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-5487883176,EMOLS-id_319873918	265.327	DMPWBZLZRBHASK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034771
FC1CCCC(C1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-7780190062,EMOLS-id_320280350	265.327	IRNBCFOAOVSHGL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034772
O=CN/N=Cc1c2CC(Cn2c(c1C(C)C)F)(C)C	SCHEMBL19315519	265.327	DWBHGOJRZIGCAF-SOFYXZRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034773
c1(NC(=O)C2CC2)sc2c(CCC2)c1C(=O)OC	ZINC22_5660458,PC-id_5105352,MCULE-9528546491,TIMTEC152011,CoCoCo_5829553,EMOLS-id_3973948	265.328	FPGOITNDXLDCQY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034774
CC1CC1C(=O)Nc1sc2CCCc2c1C(=O)O	EMOLS-id_2862771,PC-id_3836482,MCULE-1004193965	265.328	YJLHVXFELSTLDP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034775
CC1=NOC(C1)COC(=O)c1sc2c(c1)CCC2	EMOLS-id_319691673	265.328	XXEVEVCTGRGWHU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-034776
CC1=NO[C@H](COC(=O)c2cc3c(s2)CCC3)C1	ZINC22_1515313492	265.328	XXEVEVCTGRGWHU-JTQLQIEISA-N	00000011100000000001000010000000000000000000000000000000	25-01-034777
CC1=NO[C@@H](COC(=O)c2cc3c(s2)CCC3)C1	ZINC22_1515313493	265.328	XXEVEVCTGRGWHU-SNVBAGLBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-034778
C=CCCC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_314931018,PC-id_62685520	265.328	HVYRZZYYVUUWNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034779
C=CCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_81767490,EMOLS-id_315107398	265.328	VCVGETWOQWEIHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034780
C/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_97305243	265.328	FMLVBMSYUKTYFJ-HYXAFXHYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034781
C=CCN(C(=O)c1sc2c(c1)CCC2)CC(=O)O	PC-id_79262554,EMOLS-id_51935161	265.328	ABBKCQDRZGKOBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034782
C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_2080986,ZINC22_2619091	265.328	YJLHVXFELSTLDP-HTRCEHHLSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034783
C[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_2080990,ZINC22_2619093	265.328	YJLHVXFELSTLDP-SVRRBLITSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034784
C[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)O)CCC2	ZINC22_2619090,PC-id_2080984	265.328	YJLHVXFELSTLDP-POYBYMJQSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034785
C[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)O)CCC2	ZINC22_2619092,PC-id_2080988	265.328	YJLHVXFELSTLDP-XPUUQOCRSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034786
CCOC(=O)c1c(NC(=O)C=C)sc2CCCc12	EMOLS-id_314094903,MCULE-5418468827,PC-id_43405491	265.328	WPVFRUKWWUYAOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034787
O=C(C1CCC1)Nc1sc2c(c1C(=O)O)CCC2	PC-id_43328028,EMOLS-id_314590063	265.328	JXKCGWGKIBYUJK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034788
O=C(c1sc2c(c1)CCC2)NC1CC(C1)C(=O)O	PC-id_121987562	265.328	BEMPALYDIRXAFF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034789
O=C(c1sc2c(c1)CCC2)NC1(CCC1)C(=O)O	PC-id_81157486,EMOLS-id_52000648,MCULE-3013360570	265.328	LITGLGUFGGWKQW-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034790
O=C(c1sc2c(c1)CCC2)NC(C1CC1)C(=O)O	MCULE-2153955746,EMOLS-id_71153263,PC-id_62697047	265.328	WZHOJRJZLAZHMX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034791
O=C(c1sc2c(c1)CCC2)NCC1(CC1)C(=O)O	MCULE-3820299169,PC-id_113311978,EMOLS-id_71175867	265.328	GYDLYKHWRUPGNB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034792
O=C([C@@H]1C[C@@H]1C(=O)O)NCc1sc2c(c1)CCC2	PC-id_105636631	265.328	HMQLPMHHVDUXEZ-ZJUUUORDSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034793
O=C(COC(=O)c1cc2c(s1)CCC2)NC1CC1	ZINC22_4581567,PC-id_5028343,CoCoCo_2840957,MCULE-8010718912,EMOLS-id_3610465	265.328	LMHIMTWEXYSMTN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034794
O=C(N1CCCC1C(=O)O)c1sc2c(c1)CCC2	PC-id_20115590,EMOLS-id_50919725,MCULE-9211532896	265.328	BGWXEPAKQNEHDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034795
O=C(N1CCC[C@@H]1C(=O)O)c1sc2c(c1)CCC2	EMOLS-id_71141471,PC-id_28121387,MCULE-7922827241	265.328	BGWXEPAKQNEHDH-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034796
O=C(N1CCC[C@H]1C(=O)O)c1sc2c(c1)CCC2	MCULE-6901652021,EMOLS-id_51295407	265.328	BGWXEPAKQNEHDH-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-034797
O=C(Nc1sc2c(c1C(=O)O)CCC2)CC1CC1	EMOLS-id_315973588,PC-id_43172355	265.328	YNJJTPHNWOOSES-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034798
O=C=Nc1sc2c(c1C(=O)OC(C)(C)C)CCC2	SCHEMBL10712139,PC-id_20186670	265.328	IBQILWBGHFDACO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034799
OC(=O)CC1CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_315267320,PC-id_64603939	265.328	KOKUIRDAWHTKOE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034800
OC(=O)CN(C(=O)c1sc2c(c1)CCC2)C1CC1	EMOLS-id_51194326,MCULE-4564570918,PC-id_54946176	265.328	JJOYBAVWZYZQRA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034801
s1c2c(CCC2)cc1CNC(=O)C1C(C1)C(=O)O	PC-id_61207408	265.328	HMQLPMHHVDUXEZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034802
s1c2c(CCC2)cc1C(=O)N1CC(CC1)C(=O)O	PC-id_63007013	265.328	XRXKHDWYKGAGPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034803
s1c2CCCc2cc1C(=O)OCC(=O)NCC=C	PC-id_16505612	265.328	IJLKXBNDZFDFCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034804
s1c2c(CCC2)c(c1NC(=O)/C=C/C)C(=O)OC	PC-id_71627904	265.328	FMLVBMSYUKTYFJ-HWKANZROSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034805
s1c2c(CCC2)c(c1NC(=O)C=CC)C(=O)OC	PC-id_73010653	265.328	FMLVBMSYUKTYFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034806
CC1=Cc2c(S1(=O)=O)c(cs2)S(=O)(=O)N	PC-id_117061031	265.33	PSDYKSGSXCVXCR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-034807
c12CN(Cc1sc(N)c2C#N)C(=O)OC(C)(C)C	EMOLS-id_331065891,MCULE-1278781805	265.331	LVNNSDYVKBYBLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034808
COCC(C(=O)Nc1sc2c(c1C#N)CCC2)N	EMOLS-id_314960201,PC-id_81089167	265.331	IRYHUOARTSZIGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034809
N#CCCN(c1nc2c(s1)CCC2C(=O)O)CC	EMOLS-id_261777750,PC-id_113395744	265.331	ZZEAAPDBHPNVQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034810
N#CC(CN(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395727	265.331	CRVTYNSPKDKNNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034811
N#CCC(N(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395775	265.331	PIVMWCOWEKQDCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034812
NCC(C(=O)Nc1sc2c(c1C#N)CCC2)OC	PC-id_114145053	265.331	YECZPDNVEFWEHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034813
NCCOCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_315386228,PC-id_79478671	265.331	KEHFEGNVZZGFFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034814
O=C1CCC(CN1)C(=O)Nc1sc2c(n1)CCC2	PC-id_112729141	265.331	WAZPRKSEVWPKTM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034815
s1c2CCCc2c(c1NC(=O)CNCCO)C#N	PC-id_82358521	265.331	KLIRKHMFBPUZOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034816
s1c2CCCc2nc1NC1CC(=O)N(C1=O)CC	PC-id_54962495	265.331	LLNLGNLZFZNQEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034817
CCN1CCN(/C=c/2sc3ncnn3c2=O)CC1	ZINC22_618254664	265.335	GLPUPQRNYFLKTR-CLFYSBASSA-N	00000000100010000001000010000000000000000000000000000000	25-01-034818
n12ncnc1sc(=CN1CCN(CC1)CC)c2=O	MCULE-9024885092	265.335	GLPUPQRNYFLKTR-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-034819
C=Cc1cc(n2c1CCC2(C)C)C(=O)c1ccccc1	PC-id_101095372	265.35	DCBAMRIYINBJDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034820
C=Cc1cc(n2c1CC(C2)(C)C)C(=O)c1ccccc1	PC-id_101095374	265.35	ZCFDTEPJBVCPOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034821
O=C(c1c(c2n(C(CC2)(C)C)c1)C=C)c1ccccc1	PC-id_21669668	265.35	OAFSEXWRYMJOQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034822
O=C(c1c(c2n(CC(C2)(C)C)c1)C=C)c1ccccc1	PC-id_23245848	265.35	RESYXUVYHMNQSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034823
c1(C(=O)NCCCOC(C)C)c2CCCc2n(C)n1	EMOLS-id_320482062,MCULE-2309921531,PC-id_84466351	265.351	SQVBIBHCVILGDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034824
c1(C(=O)NCCCOCCCC)c2CCCc2[nH]n1	EMOLS-id_335012203,MCULE-3432768370	265.351	JMRHYNRDPKQNPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034825
c1(C(=O)OC)c2C(C)CCc2n(CCCN(C)C)n1	MCULE-8811740503,EMOLS-id_330994929	265.351	ITDIVFUZARWMQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034826
c1(C(=O)OC)c2C(C)CCc2nn1CCCN(C)C	MCULE-6218123498,EMOLS-id_330977970	265.351	BWEBHZKJZDRZTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034827
c1(C(=O)OCC)c2C(C)CCc2n(CCN(C)C)n1	EMOLS-id_330999799,MCULE-3910125930	265.351	PRWNXKCWPYSZDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034828
c1(C(=O)OCC)c2C(C)CCc2nn1CCN(C)C	EMOLS-id_330981816,MCULE-8268444991	265.351	UURLCYYKDSIMHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034829
c1(C(=O)OC(C)(C)C)c2CNCc2nn1C(C)(C)C	MCULE-8353415250,EMOLS-id_324347746	265.351	VHAWPWYECWPCSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034830
CCC1CCc2c1nc([nH]2)CNC(=O)OC(C)(C)C	PC-id_102970638	265.351	FBYDGPJOTPZUBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034831
CCCCCN(C(=O)c1n[nH]c2c1CCC2)CCO	PC-id_109620650	265.351	LVDWQVPCRPKIRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034832
CCCC(CNC(=O)c1n[nH]c2c1CCC2)CCO	PC-id_111697353	265.351	XEXULROAVOJCFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034833
CCCCCOCC(=O)NCc1cc2n(n1)CCC2	ZINC22_585127614,EMOLS-id_177321649,MCULE-6629838189	265.351	FKTBNVHLXHCTGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034834
CCC(C(C(=O)NC1CC(n2c1ncc2)C)O)(C)C	EMOLS-id_318206260	265.351	NXMCSUGCBVYOJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034835
CCCCn1cc2C(NCc2n1)C(=O)OC(C)(C)C	MCULE-6559938071,EMOLS-id_259640483	265.351	KQHIBGQOHVMXOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034836
CCCCN(C(=O)c1n[nH]c2c1CCC2)CCCO	PC-id_109973669	265.351	ZJWOFNMCQDIWDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034837
CCC(CNC(=O)c1n[nH]c2c1CCC2)(CO)CC	PC-id_112437391	265.351	MJHBNBVBHVRYJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034838
CC(C)(C)OC(=O)C1NCc2nn(cc12)C(C)(C)C	EMOLS-id_259640477,MCULE-1327884581	265.351	BZUDKSASAGAWMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034839
COC1(OC)CC(C1)CNC1CC(n2c1ncc2)C	EMOLS-id_319630299	265.351	KCZQINQEQYGXJY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-034840
OCC(CC(C)(C)C)NC(=O)c1n[nH]c2c1CCC2	PC-id_112384700	265.351	UDZWXBAFUWZUDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034841
OCC(CCCNC(=O)c1n[nH]c2c1CCC2)(C)C	PC-id_112358347	265.351	XIHVFCKHKYZMNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034842
OCCN(C1CCOCC1)Cc1nn2c(c1)CCC2	EMOLS-id_318007470	265.351	LTFMGWWCZKOPRJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034843
O=C(NCc1ccco1)c1cc2CSCc2s1	ChEMBL-DNDi_CHEMBL1468708,PC-id_3238147,CoCoCo_2133836,BindingDB-id_75235,CHEMBL1468708,BindingDB_PC-id_3238147	265.351	JJKLUPLZOHTREM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-034844
OC(=O)C1CCc2c1nc(s2)Cc1cccs1	PC-id_104287272	265.351	LVWNVELNXNRMFD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034845
O=C(OC(C)(C)C)NC(c1nc2c([nH]1)CCC2C)C	PC-id_102970177	265.351	BTGNSIVEBGOUKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034846
O=C(OC(C)(C)C)NCCc1nc2c([nH]1)CCC2C	PC-id_102970215	265.351	DMLZQRIHCSLQSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034847
O=C(OC(C)(C)C)N[C@@H](c1nc2c([nH]1)CCC2C)C	PC-id_102970211	265.351	BTGNSIVEBGOUKU-YGPZHTELSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034848
O=C(OC(C)(C)C)N[C@H](c1nc2c([nH]1)CCC2C)C	PC-id_102970230	265.351	BTGNSIVEBGOUKU-GKAPJAKFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034849
O(C(=O)N1Cc2c([nH]c(c2CCN)C)C1)C(C)(C)C	PC-id_84807642	265.351	CGMFOAVPZWPKRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034850
S(=O)(=O)(n1c2c(CSC2)cc1)c1ccccc1	PC-id_85641092	265.351	JMVLGTYYKKRULK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034851
S(=O)(=O)(N1Cc2c(C1)csc2)c1ccccc1	PC-id_11346127	265.351	WXGPWYWNBYEKGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-034852
CC1CCc2c1c(nn2Cc1cc(C)ccc1C)C#N	EMOLS-id_331020025,MCULE-1459734567	265.353	OPHNSCOWVMIRAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034853
CC1CCc2c1c(nn2Cc1cccc(C)c1C)C#N	EMOLS-id_331020537,MCULE-9493930707	265.353	VBSFHOHNRXKZQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034854
CC1CCc2c1c(nn2Cc1ccc(C)cc1C)C#N	MCULE-3375395531,EMOLS-id_331021809	265.353	WHNNEMQDEDQDBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034855
CC1CCc2c1c(nn2Cc1c(C)cccc1C)C#N	MCULE-5713961713,EMOLS-id_331020281	265.353	IULJJSHFIPMJPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034856
CC1CCc2c1c(nn2Cc1ccc(C)c(C)c1)C#N	MCULE-5727273769,EMOLS-id_331020273	265.353	WNPXXTBYUXTZRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034857
CC1CCc2c1c(nn2Cc1cc(C)cc(C)c1)C#N	MCULE-9807386914,EMOLS-id_331019770	265.353	LWDRVAYNAFMNEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034858
CC1CCc2nn(Cc3cc(C)ccc3C)c(C#N)c12	EMOLS-id_331004851,MCULE-7040033012	265.353	BVRWACWSPVURFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034859
CC1CCc2nn(Cc3cccc(C)c3C)c(C#N)c12	MCULE-1860351861,EMOLS-id_331005363	265.353	GCWVUMLDIPCGNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034860
CC1CCc2nn(Cc3c(C)cccc3C)c(C#N)c12	MCULE-3401770373,EMOLS-id_331005107	265.353	NPOIMSANFZLPMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034861
CC1CCc2nn(Cc3ccc(C)cc3C)c(C#N)c12	MCULE-5967437203,EMOLS-id_330998460	265.353	JICODZZXZQDLPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034862
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(C#N)c12	EMOLS-id_331001019,MCULE-2949493472	265.353	ISFBUFSOXTWGTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034863
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(C#N)c12	MCULE-5137938972,EMOLS-id_331004596	265.353	MHGHCVONLWYNCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034864
CC(c1ccccc1C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003065,MCULE-2668145709	265.353	VBPMRKQYRMFFMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034865
CCc1ccccc1Cn1nc2CCC(C)c2c1C#N	MCULE-6822358235,EMOLS-id_331005619	265.353	JHZZAOXPAAUBIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034866
CCc1ccccc1Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331020793,MCULE-7284449647	265.353	DKHXXMSTWYEXHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034867
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002549,MCULE-6007136931	265.353	HCNPNGAWDICPSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034868
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1C#N	MCULE-4542020455,EMOLS-id_331005367	265.353	GBXZJWIXUFZVGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034869
CCc1cccc(Cn2nc3CCC(C)c3c2C#N)c1	MCULE-8416653494,EMOLS-id_331004852	265.353	RDHDYQQRSYVFMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034870
CCc1cccc(Cn2nc(C#N)c3C(C)CCc23)c1	MCULE-2676066433,EMOLS-id_331020026	265.353	KOPNPJIURKIENN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034871
CCc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1	MCULE-7692066850,EMOLS-id_331001275	265.353	VVHWGSRNSRNLGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034872
CCc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1	MCULE-3797789123,EMOLS-id_331020529	265.353	DSABEJFXIYAJAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034873
c1(NC(=O)c2cccs2)n(C)nc2CSCc12	MCULE-6656358946,EMOLS-id_188941122,STOCK7S-64835,ZINC22_604419301	265.355	NDFXHOYQAJDXAO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034874
c1(NC(=O)Nc2cccs2)sc2c(CCC2)n1	GD-id_ZINC38671380,PC-id_45503681,EMOLS-id_30776439,ZINC22_38671380,MCULE-7802218666	265.355	OBGITQJYTOMVOP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034875
CC1CC(c2n1ncn2)NCCCN1CCOCC1	EMOLS-id_319549967	265.355	FWGSTLWYMUGAFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034876
Cc1nnc(NC(=O)c2cc3c(s2)CCC3)s1	PC-id_45793507,MCULE-6646813941,EMOLS-id_30181656,ZINC22_44866408	265.355	NQLSEEHWARHGIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034877
CC1OCCN(C1)CCNC1CC(n2c1ncn2)C	EMOLS-id_258182217,MCULE-6590268099	265.355	SYTQJLDJNUZMDQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034878
CCCC[C@@H](C(=O)NC(c1nnc2n1CCC2)C)N	PC-id_103831942	265.355	PPAYKMLZUSWWAV-AXDSSHIGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034879
CCCC[C@@H](C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_93373701	265.355	BYBFCKIHMACPEV-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034880
CCCC(C(=O)NC(c1nnc2n1CCC2)C)(N)C	PC-id_60849126,MCULE-9709261368,EMOLS-id_302705212	265.355	OXMYRPYAUAALCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034881
CCC[C@@H](C)N(C)C(=O)NCc1nnc2n1CCC2	PC-id_52651129,ZINC22_59292064	265.355	VCVBESOCDAJHQJ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034882
CCC[C@H](C)N(C)C(=O)NCc1nnc2n1CCC2	PC-id_52651130,ZINC22_59292065	265.355	VCVBESOCDAJHQJ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034883
CC(C[C@H](C(=O)NC(c1nnc2n1CCC2)C)N)C	PC-id_104902686	265.355	XCRDMEGYCPBWFI-QVDQXJPCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034884
CC(C[C@H](C(=O)N(Cc1nnc2n1CCC2)C)N)C	PC-id_93373690	265.355	FZIUZLHONXJMOG-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034885
CCCC(N(C(=O)NCc1nnc2n1CCC2)C)C	PC-id_53532626,EMOLS-id_36637909,MCULE-1871363165	265.355	VCVBESOCDAJHQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034886
CCON1CCC(CC1)NCc1nnc2n1CCC2	EMOLS-id_316568813	265.355	UXJVFLDRACXUEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034887
CC(=O)NC(=S)Nc1sc2c(c1C#N)CCC2	GD-id_ZINC03851036,CNP0022569,PC-id_2754867,EMOLS-id_5866670,SPECS-id_AT-819/OC08746,ZINC22_3851036,MDPI-id_19270	265.355	IRWFCNGNMMTXTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034888
NCCCC(C(=O)NC(c1nnc2n1CCC2)C)C	PC-id_104683782	265.355	OQEZCJSSYKZXOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034889
NCCCC(C(=O)N(Cc1nnc2n1CCC2)C)C	PC-id_104684521	265.355	JWVGUHRCBKEYHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034890
OC1CSc2n1nc(n2)SCc1ccccc1	SCHEMBL10565235,PC-id_21279514	265.355	CZYLEEXRWICAHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-034891
O=C(c1sccc1N)Nc1sc2c(n1)CCC2	PC-id_54962928,EMOLS-id_38356757	265.355	AMAOMRRNURGOQT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034892
O=C([C@H](C(C)(C)C)N)NC(c1nnc2n1CCC2)C	MCULE-7431897533,PC-id_61155125,EMOLS-id_302709045	265.355	CJSOLTXMSXGZCY-LHIURRSHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034893
O=C([C@@H](C(C)(C)C)N)NC(c1nnc2n1CCC2)C	PC-id_103928583	265.355	CJSOLTXMSXGZCY-HTLJXXAVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034894
O=C([C@@H](C(C)(C)C)N)N(Cc1nnc2n1CCC2)C	PC-id_103929313	265.355	GPPFGJIMJFZVIO-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-034895
O=C(NC(c1n2CCCc2nn1)C)CCCCCN	PC-id_43698125	265.355	ADYXZFJDKUTKPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034896
O=C(N(Cc1n2CCCc2nn1)C)CCCCCN	PC-id_54872749	265.355	VMESNMNKPBMSRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034897
O=C(NC(c1n2CCCc2nn1)C)C(C(C)C)CN	PC-id_65225456	265.355	SVESCNFPPSOCRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034898
O=C(NC(c1n2CCCc2nn1)C)C(CCC)CN	PC-id_65225507	265.355	BINMJOPUUJRRMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034899
O=C(N(Cc1n2CCCc2nn1)C)C(C(C)C)CN	PC-id_65227052	265.355	PNASVAVRHXIKEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034900
O=C(N(Cc1n2CCCc2nn1)C)C(CCC)CN	PC-id_65227100	265.355	GIYGKTWBHXJHCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034901
O=C(NC(c1n2CCCc2nn1)C)CC(CC)CN	PC-id_81075181	265.355	ZODDCIGNXOHQFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034902
O=C(N(Cc1n2CCCc2nn1)C)CC(CC)CN	PC-id_81086528	265.355	HMIVDRYGROZSGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034903
O=C(NC(c1n2CCCc2nn1)C)C(CC)(CN)C	PC-id_81943935	265.355	OSKBSYXFEFHKTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034904
O=C(N(Cc1n2CCCc2nn1)C)C(CC)(CN)C	PC-id_81944729	265.355	RHJWCXBSVVAHQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034905
O=C(NC(c1n2CCCc2nn1)C)CCC(CN)C	PC-id_82011014	265.355	IBFBOQINPGZDGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034906
O=C(N(Cc1n2CCCc2nn1)C)CCC(CN)C	PC-id_82011470	265.355	OBLIPNJVATUBNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034907
O=C(NC(c1n2CCCc2nn1)C)CCCC(N)C	PC-id_82849207	265.355	ULAQNHFAPNJGQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034908
O=C(N(Cc1n2CCCc2nn1)C)CCCC(N)C	PC-id_82851255	265.355	SINXMRNGTFQCCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034909
O=C(NC(c1n2CCCc2nn1)C)CCC(N)(C)C	PC-id_64006989	265.355	VSTHLXGWMMXUAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034910
O=C(N(Cc1n2CCCc2nn1)C)CCC(N)(C)C	PC-id_64008898	265.355	HTKAGGUKSRPLRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034911
O=C(N(Cc1n2CCCc2nn1)C)CCNC(C)C	PC-id_54872797	265.355	FXZATDADLJNXMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034912
O=C(N(Cc1n2CCCc2nn1)C)CC(NCC)C	PC-id_55121542	265.355	IFUQQEFYFUOPKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034913
O=C(NC(c1n2CCCc2nn1)C(C)C)NC(C)C	PC-id_60277002	265.355	LMXKEJLPFXOYBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034914
O=C(NC(c1n2CCCc2nn1)C)CCNC(C)C	PC-id_60854510	265.355	QKWKHCJMXCSRHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034915
O=C(NC(c1n2CCCc2nn1)C)CC(NCC)C	PC-id_62838628	265.355	UCRJQQMXQATJBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034916
O=C(N(Cc1n2CCCc2nn1)C)C(CNCC)C	PC-id_62853829	265.355	LUTHUNSNRKAIET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034917
O=C(NC(c1n2CCCc2nn1)C)C(CNCC)C	PC-id_62853969	265.355	SSBAOLDNDJLGGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034918
O=C(NC(c1n2CCCc2nn1)C)CC(N)CCC	PC-id_81974343	265.355	WYENZKMKPGAZLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034919
O=C(N(Cc1n2CCCc2nn1)C)CC(N)CCC	PC-id_81976001	265.355	RLUBKVHVHCHAAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034920
O=C(NC(c1n2CCCc2nn1)C)CC(N)C(C)C	PC-id_81982812	265.355	IYSINJVGHZUCJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034921
O=C(N(Cc1n2CCCc2nn1)C)CC(N)C(C)C	PC-id_81989510	265.355	HRQBZQGVZMDCMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034922
O=C(NC(c1n2CCCc2nn1)C)[C@@H](N)CC(C)C	PC-id_61154785	265.355	XCRDMEGYCPBWFI-AXDSSHIGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034923
O=C(N(Cc1n2CCCc2nn1)C)[C@@H](N)CC(C)C	PC-id_61163406	265.355	FZIUZLHONXJMOG-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-034924
O=C(N(Cc1n2CCCc2nn1)C)[C@@H](N)C(C)(C)C	PC-id_61163594	265.355	GPPFGJIMJFZVIO-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034925
O=C(N(Cc1n2CCCc2nn1)C)[C@@H](N)C(CC)C	PC-id_61171982	265.355	RYYVUPRPHKVMGE-ACGXKRRESA-N	00000010100000000001000010000000000000000000000000000000	25-01-034926
O=C(NC(c1n2CCCc2nn1)C)[C@@H](N)C(CC)C	PC-id_61173352	265.355	AKLMUPAVVBJATC-AMUVOQDHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034927
O=C(NC(c1n2CCCc2nn1)C)[C@@H](N)[C@H](CC)C	PC-id_61154955	265.355	AKLMUPAVVBJATC-QCZWPSDZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034928
O=C(N(Cc1n2CCCc2nn1)C)[C@@H](N)[C@H](CC)C	PC-id_61163593	265.355	RYYVUPRPHKVMGE-CABZTGNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034929
O=C(NC(c1n2CCCc2nn1)C)C(N)C(CC)C	PC-id_43698140	265.355	AKLMUPAVVBJATC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034930
O=C(NC(c1n2CCCc2nn1)C)C(N)CC(C)C	PC-id_43698145	265.355	XCRDMEGYCPBWFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034931
O=C(N(Cc1n2CCCc2nn1)C)C(N)C(CC)C	PC-id_54872750	265.355	RYYVUPRPHKVMGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034932
O=C(N(Cc1n2CCCc2nn1)C)C(N)CC(C)C	PC-id_54872761	265.355	FZIUZLHONXJMOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034933
O=C(N(Cc1n2CCCc2nn1)C)CNC(CC)C	PC-id_54872796	265.355	PFMYGVVONPTVDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034934
O=C(N(Cc1n2CCCc2nn1)C)C(N)CCCC	PC-id_54872798	265.355	BYBFCKIHMACPEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034935
O=C(N(Cc1n2CCCc2nn1)C)C(N)(CCC)C	PC-id_54872808	265.355	JLBWJXPOXYSEMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034936
O=C(NC(c1n2CCCc2nn1)C)CNC(CC)C	PC-id_54925341	265.355	YDQHSKYDSHOYQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034937
O=C(NC(c1n2CCCc2nn1)C)C(NCC)(C)C	PC-id_55121665	265.355	VBFNKMOGPSHAKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034938
O=C(NC(c1n2CCCc2nn1)C)C(N)CCCC	PC-id_60852060	265.355	PPAYKMLZUSWWAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034939
O=C(N(Cc1n2CCCc2nn1)C)C(NCC)(C)C	PC-id_62836634	265.355	DDXGQJSOJQMEJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034940
O=C(NC(c1n2CCCc2nn1)C)C(N)C(C)(C)C	PC-id_76893387	265.355	CJSOLTXMSXGZCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034941
O=C(N(Cc1n2CCCc2nn1)C)C(N)C(C)(C)C	PC-id_76894579	265.355	GPPFGJIMJFZVIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034942
O=C(N(Cc1n2CCCc2nn1)C)CNC(C)(C)C	PC-id_78923713	265.355	WNXJJDYGCUHILF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034943
O=C(NC(c1n2CCCc2nn1)C)CNC(C)(C)C	PC-id_78923797	265.355	NBMACMZPWMBYCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034944
O=C(NC(c1n2CCCc2nn1)C)C(N)(CC)CC	PC-id_79809247	265.355	GDYDCVMAFQRRGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034945
O=C(N(Cc1n2CCCc2nn1)C)C(N)(CC)CC	PC-id_79815223	265.355	SGOYDUMTCBYUGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-034946
s1c2CNCc2nc1NC(=O)Cc1sccc1	PC-id_82194028	265.355	WKIASHCJZCKPFE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034947
s1c2CN(Cc2nc1N)C(=O)Cc1sccc1	PC-id_82194141	265.355	JWCNEKUAQWNXHZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-034948
CC1CCSCCN1C(=O)c1occ2c1CCC2	EMOLS-id_102556303	265.371	BGJCJKJKHKWSLQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034949
CC1CN(CCC1O)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102266070,PC-id_114679885	265.371	VTFSVOGSNYTABE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034950
CC1CSCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_102566301	265.371	AGTFSXICOQZQPQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034951
CC1OCCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102812007	265.371	SBAABBVUUGNMLR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034952
CC1OC(C)CN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_2998722,ChEMBL-DNDi_CHEMBL1536389,CK1373548,CHEMBL1536389	265.371	SUFGTUAWPCNKSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034953
CC1OCCN(C1C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102631765	265.371	LSTYKTRWZABCHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034954
CC1OCC(N(C1)C(=O)c1sc2c(c1)CCC2)C	MCULE-4977802782,EMOLS-id_31894196,PC-id_51077458	265.371	JSNMRRMFAKFMCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034955
CC1SC(C)CN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_102594476	265.371	DJTYGJONKUCASA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034956
CC1SCCN(C1C)C(=O)c1occ2c1CCC2	EMOLS-id_102567405	265.371	CQOUBISGEBUAPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034957
CC1SCCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_102530826	265.371	WYARPSKJXHPBET-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-034958
CC(C1CCCO1)NC(=O)c1sc2c(c1)CCC2	MCULE-8157891222,PC-id_45878384,EMOLS-id_29600186	265.371	NLLZEGZDWQOBMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034959
CC(C1CCN(C1)C(=O)c1sc2c(c1)CCC2)O	PC-id_109996895	265.371	CGXQAVGWVCWNCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034960
CCCC1(O)CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_314981907,PC-id_65929531	265.371	YHFZDNXVJBGTFH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034961
CCCCCCCCN1C(=O)c2c(C1=O)scc2	SCHEMBL20434462,PC-id_102447562	265.371	HAJCDJGQDDQBJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034962
CCCCCCCCN1C(=O)c2cscc2C1=O	MCULE-1321792642,ZINC22_100070989,PC-id_67122608,EMOLS-id_44834865,SCHEMBL1690112	265.371	QMNVUZQWXKLEFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034963
CCCCC(CC)CN1C(=O)c2cscc2C1=O	MCULE-5725382867,SCHEMBL2011192,PC-id_86334473,EMOLS-id_44834867	265.371	PCLDQMLVTDTSOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034964
CCCCCCC(C)N1C(=O)c2cscc2C1=O	PC-id_89515251,SCHEMBL14881262	265.371	RWEDHYAAVIWBJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034965
CCCCCCCCN1C(=O)C(=O)c2c1ccs2	PC-id_102441986	265.371	KIHSEKCYRDIXLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034966
CCCCC(CC)CN1C(=O)C(=O)c2sccc12	PC-id_59584041,MCULE-9034357250,SCHEMBL13058833,EMOLS-id_317446962	265.371	ONAYITQGRKTBKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034967
CCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16252142,PC-id_117708798	265.371	MXTZJVCWYVKOCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034968
CCCCC(CN1C(=O)c2c(C1=O)scc2)CC	SCHEMBL19011346	265.371	YZKYRTFYQDTOQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034969
CCCC[C@@H](CC)CN1C(=O)c2cscc2C1=O	ZINC22_91301382	265.371	PCLDQMLVTDTSOU-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034970
CCCC[C@H](CC)CN1C(=O)c2cscc2C1=O	ZINC22_91301383	265.371	PCLDQMLVTDTSOU-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-034971
CCCC[C@@H](CC)CN1C(=O)C(=O)c2sccc12	ZINC22_200903287	265.371	ONAYITQGRKTBKH-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034972
CCCC[C@H](CC)CN1C(=O)C(=O)c2sccc12	ZINC22_200903316	265.371	ONAYITQGRKTBKH-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-034973
CCC(=CCNCc1sc2c(c1)CCC2)C(=O)O	PC-id_103242946	265.371	YSICLIPPLZWKGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034974
CC(=C)COCCNC(=O)c1sc2c(c1)CCC2	PC-id_115700255	265.371	VJRRBWHVMFZLST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034975
C[C@@H]1C[C@H](O)CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102917467	265.371	ISXBESZKZVNCOA-KOLCDFICSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034976
C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)[C@H](C)CO1	PC-id_94053941,ZINC22_45524085	265.371	JSNMRRMFAKFMCT-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034977
C[C@H]1CN(C(=O)c2cc3c(s2)CCC3)[C@@H](C)CO1	PC-id_94053944,ZINC22_45524091	265.371	JSNMRRMFAKFMCT-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034978
C[C@H]1CN(C(=O)c2cc3c(s2)CCC3)[C@H](C)CO1	ZINC22_45524087,PC-id_94053942	265.371	JSNMRRMFAKFMCT-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034979
C[C@H]1CO[C@H](C)CN1C(=O)c1cc2c(s1)CCC2	PC-id_94053943,ZINC22_45524089	265.371	JSNMRRMFAKFMCT-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034980
C[C@@H]1O[C@H](C)CN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_2316796,EMOLS-id_102314291	265.371	SUFGTUAWPCNKSN-AOOOYVTPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-034981
C[C@H](NC(=O)c1cc2c(s1)CCC2)[C@H]1CCCO1	CoCoCo_4822201,PC-id_35238804,ZINC22_27873076	265.371	NLLZEGZDWQOBMV-GXSJLCMTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034982
C[C@@H](NC(=O)c1cc2c(s1)CCC2)[C@@H]1CCCO1	PC-id_35238786,CoCoCo_4822203,ZINC22_27873051	265.371	NLLZEGZDWQOBMV-KOLCDFICSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034983
C[C@H](NC(=O)c1cc2c(s1)CCC2)[C@@H]1CCCO1	PC-id_35238791,CoCoCo_4822202,ZINC22_27873059	265.371	NLLZEGZDWQOBMV-ONGXEEELSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034984
C[C@@H](NC(=O)c1cc2c(s1)CCC2)[C@H]1CCCO1	ZINC22_27873068,PC-id_35238798,CoCoCo_4822204	265.371	NLLZEGZDWQOBMV-MWLCHTKSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034985
CCOC(=O)C=CCNCc1sc2c(c1)CCC2	EMOLS-id_314649665	265.371	FGFMBEVNVQNWOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034986
CCOC(=O)C(=C)CNCc1sc2c(c1)CCC2	PC-id_103242959	265.371	BAPBMVRNGXHMLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034987
COc1c(sc2c1CCC2)C(=O)N1CCCCC1	PC-id_91956569	265.371	CMCVEYGBWOJKEP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034988
COC(=O)C(C1CC1)NCc1sc2c(c1)CCC2	PC-id_113792939	265.371	WZLSPLNPJCOTRL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-034989
COC(=O)C(=CCNCc1sc2c(c1)CCC2)C	PC-id_103242960	265.371	DIIKEJWGHWCZAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034990
OC1CC(C1)CN(C(=O)c1sc2c(c1)CCC2)C	PC-id_65982172,EMOLS-id_314977803	265.371	WNRUVGWDFPHUQN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-034991
OC1CCC(C1)CNC(=O)c1sc2c(c1)CCC2	PC-id_103280062	265.371	LWPFZJDZUQIIGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034992
OC1CCC(CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_43389617,EMOLS-id_314096925	265.371	KHYPGNJVCKXCAG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034993
OC1CCCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102375066	265.371	JZARSJUFIRKPCM-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-034994
OC1CN(C(C1)(C)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_319061471	265.371	NLVIMHABTJFMNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034995
OC1CN(CCC1C)C(=O)c1sc2c(c1)CCC2	PC-id_109958117	265.371	PEQUFNWSEBYBGG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-034996
O=C1NC(=O)c2c1c(sc2C(C)(C)C)C(C)(C)C	PC-id_144219603	265.371	IYKQGCACGAVPRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034997
OCC1(CCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_314589544,PC-id_62517317	265.371	AAXAEZXFLBZDKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034998
OCC1CCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_113259268	265.371	OKZJLEJDKICLGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-034999
OCC1C(C)CCN1C(=O)c1sc2c(c1)CCC2	PC-id_102738258	265.371	YKPLFHCMRYDPDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035000
OCC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_54878266,EMOLS-id_314052241	265.371	DSEHEAXZOYHDQA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035001
O=C(c1occ2c1CCC2)N1CCSC(C1)(C)C	EMOLS-id_102935701	265.371	AVEPBKADVPYLPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035002
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)(C)O	EMOLS-id_102255486,PC-id_80706890	265.371	JEYHVFSZFZPGMG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035003
O=C(c1sc2c(c1)CCC2)NC1CC(C1(C)C)O	PC-id_113610306	265.371	SDEHPMKHOUXXDL-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-035004
O=C(c1sc2c(c1)CCC2)NCC1(O)CCCC1	PC-id_64197040,EMOLS-id_315347744	265.371	SHJXGEIFYLXQSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035005
O=C(c1sc2c(c1)CCC2)NCCC1CCCO1	MCULE-3374213627,EMOLS-id_33303787,PC-id_51076997	265.371	OLMKMXZZNOYYEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035006
O=C(c1sc2c(c1)CCC2)NCC(=O)C(C)(C)C	EMOLS-id_260464713,PC-id_64991873	265.371	FGSPEVCAHAZRET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035007
OCC(C1CC1)(NC(=O)c1sc2c(c1)CCC2)C	PC-id_112343900	265.371	WYNCNBWHRKDTPF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-035008
OCCC1CCCN1C(=O)c1sc2c(c1)CCC2	PC-id_113627131	265.371	NDZRWMJAWZEQNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035009
OCCC1CCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_115746333	265.371	IEGWXWZTHUYWMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035010
OCCC1(CNC(=O)c2sc3c(c2)CCC3)CC1	PC-id_114751652	265.371	AJCCEAOLKNSTQO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-035011
OCCC(C1CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_112338955	265.371	FOYNYQPVACZSCX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-035012
OCCN(C(=O)c1sc2c(c1)CCC2)C1CCC1	PC-id_113724504	265.371	ZWUVVBKIBURMDH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-035013
O[C@@H]1CCCC[C@H]1NC(=O)c1sc2c(c1)CCC2	PC-id_113586741	265.371	RIOCWQGQNLJGFS-GHMZBOCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035014
O[C@H]1CCCC[C@@H]1NC(=O)c1sc2c(c1)CCC2	PC-id_113627211	265.371	RIOCWQGQNLJGFS-QWRGUYRKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035015
O=C(N1Cc2c(C1)csc2C(=C)C)OC(C)(C)C	PC-id_18947070,SCHEMBL9182422	265.371	BTNLPVXBDKDIDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035016
O=C(N1CC(C1)(O)C(C)C)c1sc2c(c1)CCC2	EMOLS-id_314640064,PC-id_65943211	265.371	UHOMVEBKENYQRX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-035017
O=C(N1CC(C(C1)(C)C)O)c1sc2c(c1)CCC2	EMOLS-id_102698014	265.371	CKXKCJYKUJYPBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035018
O=C(N1CCC(C1(C)C)O)c1sc2c(c1)CCC2	EMOLS-id_102701782	265.371	KNEUIGFIMCCLBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035019
O=C(N1CCCC(C1)(C)O)c1sc2c(c1)CCC2	PC-id_113344050,EMOLS-id_102259667	265.371	VEJJGDUMFRHBEE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035020
O=C(N1CCOCC1(C)C)c1sc2c(c1)CCC2	EMOLS-id_102377581	265.371	REZGVNXDGICWOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035021
O=C(N1CCOC(C1)(C)C)c1sc2c(c1)CCC2	EMOLS-id_102698728	265.371	CIAMRDOCCBFGRC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035022
O=C(NCC[C@@H]1CCCO1)c1cc2c(s1)CCC2	PC-id_94822482,ZINC22_58393682	265.371	OLMKMXZZNOYYEV-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-035023
O=C(NCC[C@H]1CCCO1)c1cc2c(s1)CCC2	ZINC22_58393683,PC-id_94822483	265.371	OLMKMXZZNOYYEV-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035024
s1c2CCCc2cc1CNC/C=C/C(=O)OCC	PC-id_80547966	265.371	FGFMBEVNVQNWOI-QPJJXVBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035025
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)CO	PC-id_43403275	265.371	UCYHUENMQYQUQS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035026
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)CO	PC-id_43421284	265.371	MENZZYPJYAJGRQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035027
s1c2c(CCC2)cc1C(=O)N1C[C@H](O[C@@H](C1)C)C	PC-id_2316797	265.371	SUFGTUAWPCNKSN-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035028
s1c2c(CCC2)cc1C(=O)N1C[C@@H](O[C@H](C1)C)C	PC-id_2316798	265.371	SUFGTUAWPCNKSN-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035029
s1c2c(CCC2)cc1C(=O)NC1C(O)CCCC1	PC-id_62367329	265.371	RIOCWQGQNLJGFS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035030
s1c2c(CCC2)cc1C(=O)NCC1C(O)CCC1	PC-id_65834851	265.371	FIIPAEPAOQNDQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035031
s1c2c(CCC2)c(C(=O)OC2CCCCC2)c1N	PC-id_82056621	265.371	WSSHNCOCTGUZFM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035032
c1(NC(=O)C2CC2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426445,MCULE-1659708207,ZINC22_4077309,CoCoCo_4972769,PC-id_4131919	265.374	YMQBVVXFAIVLJQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035033
c1(NC(=O)C2CCCCC2)n(C)nc2CSCc12	PC-id_60180311,EMOLS-id_36794201,ZINC22_72401691,MCULE-8501766424,STOCK7S-25450	265.374	FKTCBIJRZMRITB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035034
c1(NC(=O)NC2CCCCC2)sc2c(CCC2)n1	MCULE-8733083197,PC-id_84559332,EMOLS-id_181473382	265.374	IFSSXGOMAKISHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035035
CC1CCCNC1C(=O)Nc1sc2c(n1)CCC2	PC-id_107068077	265.374	DVBUBFPDXOCXJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035036
CC1CCCN(C1)C(=O)Nc1sc2c(n1)CCC2	PC-id_113223026	265.374	HZSOVCQHKKKCDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035037
CC1CCNC(C1)C(=O)Nc1sc2c(n1)CCC2	PC-id_114423819	265.374	QHHPMBCGGVNRMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035038
CC1CCN(CC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_115581862	265.374	XDPFDACOGOJAAI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035039
CC1CCSCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_102780600	265.374	XYFNSYRNFYXZNK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035040
CC1CCSCCN1C(=O)c1nn2c(c1)CCC2	EMOLS-id_102795926	265.374	LDBHSGBPDXDWHI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035041
CC1CCSCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102462358	265.374	UCYWTOMUQQUFTR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035042
CC1CSCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_102794885	265.374	RJCSLKOOTIBDJF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035043
CC1CSCCN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102794846	265.374	DZJWSMZCJNXJPP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035044
CC1CSCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102682965	265.374	YARHLMVXTNBSSS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035045
CC1NCCC(C1)C(=O)Nc1sc2c(n1)CCC2	PC-id_106739831	265.374	KRGDRNFTKWDXJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035046
CC1SC(C)CN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_102787683	265.374	NPIYKJRWTBTTFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035047
CC1SC(C)CN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102850015	265.374	NNNTZAPGRVVUIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035048
CC1SC(C)CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102523202	265.374	KVRKXGRZGDALFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035049
CC1SCCN(C1C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102947192	265.374	UGQLRUGSMUMCAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035050
CC1SCCN(C1C)C(=O)c1cnn2c1CCC2	EMOLS-id_102697598	265.374	SKYJYHPHOBUTHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035051
CC1SCCN(C1C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102783796	265.374	MDRLHPWCXGCYJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035052
CC1SCCN(C1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102643798	265.374	ZGBZHTIKPPKYQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035053
CC1SCCN(CC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_102789582	265.374	GRMHOGVTOOUYNP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035054
CC1SCCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_102789633	265.374	DBHJJVXHGNVISB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035055
CC1SCCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102760314	265.374	ACEWKDMDTLTVEX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035056
C=CC1=Nc2n(S1C(C1CCCCC1)O)cnc2	SCHEMBL20743659	265.374	YFAUJLIEWSIIIN-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-035057
C=CC1=Nc2n(S1[C@@H](C1CCCCC1)O)cnc2	SCHEMBL20743695	265.374	YFAUJLIEWSIIIN-ZDUSSCGKSA-N	00000011100010000001000010000000000000000000000000000000	25-01-035058
CC(=O)N1CCN(Cc2nc3CCCc3s2)CC1	ZINC22_101442800,MCULE-3865692783,PC-id_44060292,EMOLS-id_104358547	265.374	VJXYMUISSGKOPX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035059
n1c2CCCc2sc1CCNC(=O)C1CCCN1	EMOLS-id_324831319,PC-id_110461400,MCULE-6536971864	265.374	OAMLCBLFIDIJSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035060
n1(CC2CCCCC2)nc2c(CSC2)c1C=NO	MCULE-6516551101,EMOLS-id_324401233	265.374	RMJRZYIBQCKAFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035061
NC1CCC(CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314143761,PC-id_54963248	265.374	BMQAAWDWWAFXAI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035062
NCC1(CCC1)CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315618384,PC-id_81168871	265.374	JLPNDLUPIIRIEX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035063
O=C1NCC(C1NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_278258842	265.374	FVAXTGLOLUWADF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035064
O=C1NCCN1CCNCc1sc2c(c1)CCC2	EMOLS-id_314099909,PC-id_61206692	265.374	UUUZYROYEFFKCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035065
O=C(C1CCCC1)NCc1[nH]c(=S)n2c1CCC2	SCHEMBL21136080,PC-id_139293599	265.374	KSPOPLBTSVTIMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035066
O=C(C1(C)CCCCN1)Nc1sc2c(n1)CCC2	PC-id_113368568	265.374	JPTRXSRWADDRGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035067
O=C(C1(C)CCNCC1)Nc1sc2c(n1)CCC2	EMOLS-id_314225295,PC-id_63122410	265.374	NDSIKZQALZOBLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035068
O=C(c1cnn2c1CCC2)N1CCSC(C1)(C)C	EMOLS-id_102816888	265.374	UPGXIBNROKSZFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035069
O=C(C1(N)CCCCC1)Nc1sc2c(n1)CCC2	PC-id_54963398,EMOLS-id_314144529	265.374	JOJVANYFNAOOKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035070
O=C(c1nn2c(c1)CCC2)N1CCSC(C1)(C)C	EMOLS-id_102846363	265.374	VTUNEVRNZYUYSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035071
O=C(c1n[nH]c2c1CCC2)N1CCSC(C1)(C)C	EMOLS-id_102507263	265.374	CHOBRQPCADLVCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035072
O=C(c1n[nH]c2c1CCC2)NCC1CCCCS1	EMOLS-id_99359281	265.374	MQBMIUFNSBDGDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035073
O=C(CC1(N)CCCC1)Nc1sc2c(n1)CCC2	PC-id_64679030,EMOLS-id_315121320	265.374	DQJJCJXQYDVKNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035074
O=C(N1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882658	265.374	HLEGDDDAZHOSAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035075
O=C(N1CCCCCC1)Nc1sc2c(n1)CCC2	PC-id_113223027	265.374	VPVDBRFSLKIFES-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035076
O=C(Nc1sc2c(n1)CCC2)CC1CCNCC1	PC-id_54963300,EMOLS-id_315220413	265.374	XBXHDTICUVBNTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035077
O=C(Nc1sc2c(n1)CCC2)CNC1CCCC1	PC-id_54963249,EMOLS-id_314144017	265.374	IUVYXZSRYADPFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035078
s1c2c(CCC2)cc1C(=O)NN1CCN(CC1)C	PC-id_9205060	265.374	NPJDQNJIYRDNSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035079
s1c2CCCc2nc1NC(=O)C1C(CCC1)CN	PC-id_65894186	265.374	SRQUQNMRXUVXQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035080
s1c2CCCc2nc1NC(=O)C1(CCCC1)CN	PC-id_81489287	265.374	VYJQQEWYOKWNNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035081
s1c2CCCc2nc1NC(=O)C1(CCCNC1)C	PC-id_63134928	265.374	UFZWCDIJHQYKNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035082
s1c2CCCc2nc1NC(=O)C1(CCNC1)CC	PC-id_63142194	265.374	KREWRNCMVVOOQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035083
s1c2CCCc2nc1NC(=O)C1CC(N)CCC1	PC-id_55146931	265.374	ORUYDTFCJQBHMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035084
s1c2CCCc2nc1NC(=O)C1C(N)CCCC1	PC-id_64822115	265.374	WIASGNDWNSJMJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035085
s1c2CCCc2nc1NC(=O)C1(NCCC1)CC	PC-id_83071447	265.374	SRSBHKUKKZJAMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035086
s1c2CCCc2nc1NC(=O)C1NCCCCC1	PC-id_64564631	265.374	LPFIQDNQJQXTDW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035087
s1c2CCCc2nc1NC(=O)CC1CCCNC1	PC-id_55105348	265.374	OCYAAJGSFNUISX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035088
s1c2CCCc2nc1NC(=O)CCC1CCNC1	PC-id_81721903	265.374	MZFICZNFDMEULU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035089
s1c(NC(=O)C2(C(N)CCC2)C)nc2CCCc12	PC-id_82768331	265.374	AXQQFYJZZGZCMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035090
CC(=C)CN=C(NCCc1cn2c(n1)SCC2)N	PC-id_120363264	265.378	FJHRIZGTHDDGON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035091
CN=C(NC1CC1)NCCc1cn2c(n1)SCC2	PC-id_121829403	265.378	PTCBSGKXSSDWMG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035092
NC(=NCCc1cn2c(n1)SCC2)N(C1CC1)C	PC-id_120363260	265.378	CXQCZSRRDRVQKQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035093
NC(=NCCc1cn2c(n1)SCC2)NC1CCC1	PC-id_122095384	265.378	IINSFVFSINOIHF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035094
n1(c2c(CCC2)cc1CCCC=C)Cc1ccccc1	PC-id_53387297	265.393	KQJVJROLWSZRHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035095
Cc1csc(n1)CC(c1sc2c(c1)CCC2)O	PC-id_115824135	265.394	JEQSLSQUISYGKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035096
Cc1scc(n1)CC(c1sc2c(c1)CCC2)O	PC-id_115811980	265.394	KHFYEGVDFJFHTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035097
Cc1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_113806556	265.398	AYQGTPJDDSSHTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035098
CCc1nsc(n1)NCc1sc2c(c1)CCC2	PC-id_65276707,EMOLS-id_41143355	265.398	XBENFZIRAPPGDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035099
CCNC(c1sc2c(n1)CCC2)c1nccs1	PC-id_104077764	265.398	SXHHEHHKLHLQEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035100
CCNC(c1sc2c(n1)CCC2)c1ncsc1	PC-id_116084224	265.398	OCCPZAROMREXSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035101
CCNC(c1sc2c(n1)CCC2)c1scnc1	PC-id_113373058	265.398	SMMVGZMMLVCORY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035102
CNC(c1sc2c(n1)CCC2)c1csc(n1)C	PC-id_116084206	265.398	WFQTXNBIWHYQKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035103
CNC(c1sc2c(n1)CCC2)c1scc(n1)C	PC-id_104771038	265.398	ANOHGADHGPAKJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035104
NNC(c1sc2c(c1)CCC2)Cc1nccs1	PC-id_105324573	265.398	TYWSPPIOGRSBSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035105
NNC(c1sc2c(c1)CCC2)Cc1scnc1	PC-id_105332009	265.398	GWUSPHBZSSZJGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035106
CC1CC(C)(C)c2sc(N)c(C(=O)C(C)(C)C)c12	PC-id_113861648,EMOLS-id_337901099	265.414	CPESLIUGMKAZKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035107
CC1(C)CCC(O1)CNCc1sc2c(c1)CCC2	PC-id_113532235	265.414	HGXBIHMVARHHGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035108
CCC(C1CCOC1)NCc1sc2c(c1)CCC2	PC-id_113261162	265.414	RJGRNOVIJQRORB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035109
CCCNC(c1sc2c(c1)CCC2)C1CCOC1	PC-id_113667342	265.414	WRDMHINEMUKQGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035110
CCNC(c1sc2c(c1)CCC2)C1CCCOC1	PC-id_107138698	265.414	BROJGPMLGHNPCA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035111
CCNC(c1sc2c(c1)CCC2)C1CCOCC1	PC-id_115856040	265.414	HJRKTQHXXPBOJV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035112
CNC(c1sc2c(c1)CCC2)CC1CCOCC1	PC-id_113666347	265.414	VTSJFFLHUVFFRR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035113
CNC(c1sc2c(c1)CCC2)CCC1CCCO1	PC-id_104993491	265.414	QBUKAOMXEZLGDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035114
COC1CCC(CC1)NCc1sc2c(c1)CCC2	PC-id_104457763,EMOLS-id_314928631	265.414	JHIKUOWCFQUOOU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035115
NC(c1sc2c(c1)CCC2)CCCC1CCCO1	PC-id_104993068	265.414	QQKFTKVGYHPTBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035116
OC1(CCCCC1)CNCc1sc2c(c1)CCC2	PC-id_61207240,EMOLS-id_314098117	265.414	KUZHJJIWFAKHHK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035117
s1c2c(CCC2)cc1CNC1CC(OCC1)(C)C	PC-id_64100628	265.414	RWDYSRNFNPCYTN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035118
s1c2c(CCC2)cc1CNC1CC(OCC1)CC	PC-id_64100629	265.414	MGTONXCTEJZWEN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035119
s1c2c(CCC2)cc1CNC1CC(OC(C1)C)C	PC-id_81851635	265.414	YTIRMHNTDJOTQD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035120
s1c2c(CCC2)cc1CNC1C(O)CCCCC1	PC-id_61207971	265.414	JYNDODIGUMGMMJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-035121
s1c2c(CCC2)cc1CNCCCC1OCCC1	PC-id_65163565	265.414	RLQYEYOQUXECHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035122
s1c2c(CCC2)cc1C(=O)NC(CCC)CCC	PC-id_58607483	265.414	LPKBJWXEVUGZSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035123
s1c(CNC2CC(OC)CCC2)cc2CCCc12	PC-id_64090968	265.414	XRMZOHOUKXQQCE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035124
s1c(CNC2C(OC)CCCC2)cc2c1CCC2	PC-id_61206856	265.414	IAJHIPFDTJFFFQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035125
CC(C1CCSCC1)n1nc2CCC(C)c2c1N	EMOLS-id_331012011,MCULE-7926678986	265.418	PKBWDKIKDXJVFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035126
CCCCCC1(CCCCC)N=c2c(=N1)ncs2	PC-id_70522685,SCHEMBL11133298	265.418	QCAQVGKVRFXHJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035127
CCC(CC=C)C(C)NCc1cn2CCSc2n1	SCHEMBL19840875,PC-id_134232556	265.418	BIKGLYYKXVMDPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035128
Cn1nc2c(c1CN1CCSC(C)(C)C1)CCC2	EMOLS-id_313189963,ZINC22_892068088,MCULE-9317627745	265.418	DVUMNWOBJWXDKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035129
CN(C)Cc1c2CSCc2nn1CC1CCCC1	EMOLS-id_324396126,MCULE-4591390710	265.418	MCAHHGVGMRJUCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035130
s1c2c(nc1C(N1CCNCC1)C)C(CC2)(C)C	PC-id_79856761	265.418	IOEMCQWAMWCLCA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035131
s1c(nc2c1CCC2)C(N1CCNCC1)CCC	PC-id_63342473	265.418	YOCTVPUTZQFEOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035132
C[Si](=C1C(=Cc2c1cn(c2)Cc1ccccc1)C)C	PC-id_141014307	265.425	IEZOGSKUWFHYNP-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-035133
CCCCCC(c1sc2c(c1)CCC2)NCCC	PC-id_115837182	265.457	IAQRUQRFEAVACM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035134
CCCCC(CC(c1sc2c(c1)CCC2)N)CC	PC-id_113662158	265.457	ORSLVYYIVBMMRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035135
CCCCCCC(c1sc2c(c1)CCC2)NCC	PC-id_115833796	265.457	UYNBVAICALALMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035136
CCCCCCCC(c1sc2c(c1)CCC2)NC	PC-id_115831921	265.457	HIFJFNZZOWIXCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035137
CCCCCCCCCc1csc2c1S[C]=C2	PC-id_102262198	265.457	PXXWHUIKFOJWRX-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-035138
CCCCCCCCC(c1sc2c(c1)CCC2)N	PC-id_115835236	265.457	IJVNLSLQFFGRTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035139
CC(C(C(C)C)CNCc1sc2c(c1)CCC2)C	PC-id_114281839	265.457	NFFDAKUJFLEMEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035140
CCCNC(c1cc2c(s1)CCC2)C(CCC)C	PC-id_107893405	265.457	QTTGYPCWNNCOQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035141
CCCNC(c1sc2c(c1)CCC2)C(CC)CC	PC-id_105013818	265.457	MUMLQFUMIURXKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035142
CCCNC(c1sc2c(c1)CCC2)CC(CC)C	PC-id_113666301	265.457	NAXOGCIHIPEJDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035143
CCCNC(c1sc2c(c1)CCC2)CCC(C)C	PC-id_115834233	265.457	KIFVYLQLPKMTCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035144
CCNC(c1sc2c(c1)CCC2)CCC(C)(C)C	PC-id_113666787	265.457	OMLHMUKJRBWPQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035146
CCNC(c1sc2c(c1)CCC2)CCCC(C)C	PC-id_113672624	265.457	ZENWGZSXAUZEOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035147
CCNC(c1sc2c(c1)CCC2)CC(CCC)C	PC-id_115845704	265.457	VZZJPFMQURLTHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035148
CNC(c1sc2c(c1)CCC2)CCCC(C)(C)C	PC-id_114211282	265.457	XIBYYTYTVQAWHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035149
s1c2c(CCC2)cc1CNC(CCCCCC)C	PC-id_55192548	265.457	XICUGFKQCQIXHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035150
s1c2c(CCC2)cc1CNCCCCCCCC	PC-id_63452582	265.457	HCLXFRUIXDJGEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035151
s1c2c(CCC2)cc1CNC(CC(CC)C)CC	PC-id_63452583	265.457	TWLMNYPRBZRJLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035152
s1c2c(CCC2)cc1CNCC(CCCC)CC	PC-id_63492733	265.457	KHCWWAIIULVXNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035153
Fc1ccc(c(c1)Cl)Cn1ncc2c1CNC2=O	PC-id_110171029	265.671	RHXHHNCWASBVNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035154
O=C1NCc2c1cnn2Cc1c(F)cccc1Cl	PC-id_110171023	265.671	LUIKUPXMEXPNSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035155
Clc1ccc(o1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319929940,MCULE-7459660636	265.696	BJHOOQAHCQQCAH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-035156
O=C(c1ccoc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319165387	265.696	WHGRIROELIYULS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-035157
O=C(c1cn2c(n1)CCC2)Nc1cnn(c1Cl)C	EMOLS-id_278205354	265.699	GUALUZGESVPOGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035158
O=C(c1[nH]ncc1Cl)NC1CC(n2c1ncc2)C	EMOLS-id_319593885	265.699	FSDJCIJTKWOHNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035159
O=C(c1[nH]ncc1Cl)NCc1nn2c(c1)CCC2	MCULE-7250357873,EMOLS-id_320125259	265.699	XILBMGKHTDCDQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035160
O=C(c1n[nH]c2c1CCC2)Nc1cnn(c1Cl)C	EMOLS-id_278983150	265.699	QHTHIAQFGFSMSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035161
N=c1[nH]nc(Cl)cc1NCc1nnc2n1CCC2	ZINC22_1875286501	265.702	WEAJCVLVDBAWPP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035162
Fc1ccc(cc1Cl)CNC1CCn2c1ncc2	EMOLS-id_317919880,MCULE-8945504032	265.714	ZUGQXPDHNCLZGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035163
C1CSc2c(nnn12)C(=O)c1ccc(cc1)Cl	PC-id_134912444	265.719	JBWCYURRVMJHLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035164
Clc1ccc(Cc2nn3c(SCC3=O)n2)cc1	PC-id_82357948	265.719	BMDNBJRTEUFDGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035165
c1(CN(C)Cc2ccc(Cl)o2)c2CCCc2[nH]n1	EMOLS-id_49900885,ZINC22_216543941,MCULE-7567113410,PC-id_77098407	265.739	FNAIHVLCIFZLDZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-035166
Clc1ccc(cc1)Cn1sc2c(c1=O)CCC2	PC-id_13747918,SCHEMBL10549351	265.758	POFKKTWWAQUUOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035167
Clc1sc2CCC(Nc3ccc(O)cc3)c2c1	PC-id_81252901	265.758	MBWHLCQVRVQRER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035168
Clc1ccc(CN2Cc3sc(nc3C2)N)cc1	PC-id_82194317	265.762	IIXDBODVSGUOLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035170
Clc1cc(CN2Cc3sc(nc3C2)N)ccc1	PC-id_82194319	265.762	DECFSNPGPNELGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035171
Clc1ccc(nc1)NCc1sc2c(n1)CCC2	MCULE-9641019920,EMOLS-id_318195990	265.762	HOOZIMVYCJSWBD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035172
Clc1ccc(nn1)NCc1sc2c(c1)CCC2	EMOLS-id_38138755,PC-id_61208384	265.762	AUROHOXVFXPMFC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035173
Clc1c(CN2Cc3sc(nc3C2)N)cccc1	PC-id_82194318	265.762	IYMAMZIGTOSAPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035174
Clc1cncnc1NCc1sc2c(c1)CCC2	PC-id_105369257	265.762	DUDPHHMUKQJAIZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035175
Clc1cnc(nc1)NCc1sc2c(c1)CCC2	PC-id_79555882,EMOLS-id_315589562	265.762	CHAIIICCUXQHIY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035176
Clc1nccc(n1)NCc1sc2c(c1)CCC2	PC-id_103761476	265.762	LLCSMKZHUKALPO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035177
Clc1nccnc1NCc1sc2c(c1)CCC2	PC-id_106194071	265.762	GRUYGVZVKGYHIX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035178
Clc1ncnc(c1)NCc1sc2c(c1)CCC2	PC-id_106194043	265.762	BLYZGGWCKVHHLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035179
Clc1sc2c(c1)C(CC2)NCc1cccnn1	PC-id_113890452	265.762	KHUHGQNACVSEHL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035180
Clc1sc2c(c1)C(CC2)NCc1ccncn1	PC-id_105774422	265.762	IECFJLAOUVFYIM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-035181
ClCS(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_63666222,EMOLS-id_39941354	265.78	RHTASBKEGCAVTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035182
C[N+]1=C(C)[Te]c2c1scc2	PC-id_139630325	265.81	SYOIQJDXWIJOBV-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-035183
Brc1n2c(CCC2)nc1Br	EMOLS-id_317762657,PC-id_84711467,ZINC22_218556876,MCULE-8161524831	265.933	QOYWQLIPVBDMBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035184
Brc1nc(Br)n2CCCc12	EMOLS-id_331343361	265.933	CUNLVLDOPSMILB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035185
Brc1[nH]c(Br)c2c1CNC2	PC-id_82624972	265.933	AEJJFNYJFZCLIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035186
CC1=NC2=C(S1)CN(C2)I	PC-id_154470579	265.937	CUHJNAMEGQNVDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035187
CCCCC1SC2=C(S1)SC(=S)S2	PC-id_165347649	265.939	NCCGCHLJMUIHPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035188
CC1C2=C(C([I-]1)C)SC=N2	PC-id_163634757	265.951	BYQVZPKKOQNXLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035189
C1COC2=C(C(=NN21)CO)I	EMOLS-id_324188218,PC-id_155019720	265.955	OIORXEMXFUNBNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035190
COC(=O)C1=CC2=C(S1)CNN2CC(F)(F)F	PC-id_165394851	266.034	WFXKPYQTXVGRLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035191
Brc1c2C(F)(F)CCc2[nH]c1C(=O)O	SCHEMBL8162201,PC-id_57659916	266.04	UNEZPZGMFHRIFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035192
O=C(C(F)F)N1CCn2ncc(Br)c12	EMOLS-id_177345596,ZINC22_585122436,MCULE-2976596513	266.043	GAKAOEJIAISJOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035193
C1C(OC2=CC(=NN21)C(=O)O)CCOC(F)(F)F	PC-id_153545730	266.051	AIHNERSPYLUKCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035194
C1C(OC2=CC(=NN21)C(=O)O)COCC(F)(F)F	PC-id_151439954,EMOLS-id_337762763	266.051	PEHQWQGDYZLLHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035195
C[C@@H]1CC2=C(C1(F)F)N(N=C2C(F)F)CC(=O)O	SCHEMBL20079069,PC-id_149567225	266.068	ZTJXZCSVNVCQED-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035196
C[C@H]1CC(C2=C1C(=NN2CC(=O)O)C(F)F)(F)F	PC-id_153574681	266.068	KFHDDWRGYSPRDW-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035197
c12CSCc1nn(C)c2I	MCULE-9549504496,EMOLS-id_317872886	266.103	SRPOOGOIUBKKCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035198
Cc1nn(c2c1CSC2)I	SCHEMBL19230834	266.103	SHNHGJCZZLMSKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035199
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)B(O)C	PC-id_58015689,SCHEMBL12879336	266.105	FBQXPTJHERRAHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035200
C1CC(CN(C1)CC2=NC3=C(S2)CCC3)C(=O)O	EMOLS-id_317756116,MCULE-3338390569,PC-id_154789214	266.109	LXEQLDWXYRGKOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035201
BrCS(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-3088726749,EMOLS-id_96791061	266.116	WNJFMVVIIHDXSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035202
C1COCCC1CCC1Cn2c(cc(n2)C(=O)O)O1	PC-id_164077558	266.127	WUTDYCNZIKZWLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035203
CC1=C2CCC(=O)C2=NN1COCC[Si](C)(C)C	PC-id_152513175	266.145	YFYGZHVEDKOABY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035204
C[Si](C)(C)CCOCN1C2=C(CCC2)C(=N1)C=O	PC-id_151407130	266.145	OXSVSCKCNJPRBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035205
CC(C)(C)N1CC2=C(C1=O)C=NN2C/C(=C/F)/CN	PC-id_154989083	266.154	ZYHFOZBKXAKWSM-RUDMXATFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035206
CC(C)(C)N1CC2=NN(C=C2C1=O)C/C(=C/F)/CN	PC-id_154989003	266.154	OJJJLTMKCDQCEL-RUDMXATFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035207
CC(C)(C)OC(=O)N1C=C2C(COC2=C1)CN(C)C	PC-id_149086504	266.163	QRIYKGJDVPTSTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035208
CCOC(CN1C2=C(CCC2)C=C1C(=O)N)OCC	PC-id_164749488	266.163	GCYYOTCOTOQKDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035209
CCCCCC1(CC2=C(C1N)SC(=N2)C)CCC	PC-id_155179986	266.182	CENMSUOZERROQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035210
NC(=O)CCC(N1C(=O)c2c(C1=O)[nH]cn2)C(=O)O	PC-id_21250980,SCHEMBL5742106	266.21	LKXXWTZQOOPAHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035211
OC(=O)C1CCc2c1nc(s2)NCC(F)(F)F	PC-id_104287559,EMOLS-id_314861325	266.24	PLWOIGGJIDNWJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035212
s1c2CCCc2nc1NC(=O)OCC(F)(F)F	PC-id_61777907	266.24	DBAUHWASWWQGBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035213
N#CC1CC(CN1C(=O)c1occ2c1CCC2)(F)F	EMOLS-id_319541669	266.243	UYOVTTWGANESQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035214
N#CC1CC(CN1C(=O)c1cnc2n1CCC2)(F)F	MCULE-8663891026,EMOLS-id_320236723	266.247	RSEOJLZZRCVGKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035215
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C#C	PC-id_31812456	267.346	NAVCXQMGBIDYAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035910
N#CC1CC(CN1C(=O)c1cnn2c1CCC2)(F)F	EMOLS-id_319983701,MCULE-4298311728	266.247	QTYGSGPVTHDFHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035216
N#CC1CC(CN1C(=O)c1n[nH]c2c1CCC2)(F)F	EMOLS-id_319727642	266.247	NTOFIKVIXOQWHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035217
O=C1Nc2n(c(c(c2C(=O)OC(=O)OCC)C)C)C1	PC-id_21767686	266.25	CVLNXOAUGSNHOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035218
N#Cc1ccc(cc1)C(=O)c1cc2c(n1C)CC(=O)O2	SCHEMBL7680879,PC-id_18424208	266.252	IPMUTKMARNMORP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035219
OC(=O)C1Cc2nnc(CNC(=O)OCC=C)n2C1	EMOLS-id_331244825	266.253	JSRQFCQSRNZNOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035220
O=C(NN1CCCCC1=O)c1cc2n(n1)C[C@H](F)C2	ZINC22_2325776084	266.272	IAYWFEBJGMFQJD-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035221
O=C(NN1CCCCC1=O)c1cc2n(n1)C[C@@H](F)C2	ZINC22_2325776085	266.272	IAYWFEBJGMFQJD-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035222
C1Cn2c(nn(c2=O)S(=O)(=O)c2ccccc2)N1	PC-id_135873303	266.276	ACBHYARAMXKTSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035223
COc1nscc1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_319241028	266.276	XKVOBHQMEUTJHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035224
O=C(Nc1cn[nH]c1)c1[nH]cc2c1CCS2(=O)=O	ZINC22_1875332860	266.276	OHLVETCRXQQZIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035225
OC(=O)C1CCc2c1nc(s2)NCc1nocn1	PC-id_114185454	266.276	WBHHMZWBRWNJFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035226
O=C(OCCc1nn[nH]n1)c1coc2c1CSC2	ZINC22_2325774807	266.276	VGACBKWGPCSANK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035227
OC(=O)C1CCc2c1nc(s2)NCc1n[nH]nn1	PC-id_113395740	266.28	UWCAVUJJFQDIJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035228
o1cc2CC(Cc2c1)(CC(=O)OC(C)(C)C)C(=O)O	SCHEMBL8902539,PC-id_23358980	266.29	MHWHYAPRRWDPRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035229
c1(C(=O)OC)c2C(C)CCc2n(CC(=O)OCC)n1	MCULE-2452482898,EMOLS-id_330994161	266.293	LTWRKFDDPVNWLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035230
c1(C(=O)OCC)c2C(C)CCc2n(CC(=O)OC)n1	MCULE-7107465340,EMOLS-id_330999543	266.293	XYATWYOXDWSJGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035231
CCOC(=O)c1c2C(C)CCc2nn1CC(=O)OC	MCULE-5846974010,EMOLS-id_330981560	266.293	HLQOQYJDUCIDLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035232
CCOC(=O)Cn1nc2CCC(C)c2c1C(=O)OC	MCULE-9867967591,EMOLS-id_330981297	266.293	ARCAZTPLDYWYHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035233
COC(=O)C1Cc2c(C1)n(cn2)C(=O)OC(C)(C)C	SCHEMBL7828147,PC-id_15814394	266.293	GAVVQRFOQBSQBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035234
Oc1[n+]2CCCc2oc1S(=O)(=O)c1ccccc1	PC-id_102495929	266.293	VGJWLSINTAIQEN-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-035235
O(C(C)(C)C)C(=O)n1c2CCCc2nc1C(=O)OC	PC-id_53640228	266.293	AFNSEAZQQWKOBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035236
O(C(C)(C)C)C(=O)N1Cc2c([nH]c(c2C(=O)O)C)C1	PC-id_84807872	266.293	QENISNJDTZUROK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035237
O(C(C)(C)C)C(=O)N1Cc2[nH]c(cc2C1)CC(=O)O	PC-id_84807873	266.293	OVLWMFRNZOYECE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035238
CCOC(=O)c1nn(c2c1C=C=C2)Cc1ccccc1	SCHEMBL14597254,PC-id_89374979	266.295	BKUNIMOALYWVKY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-035239
CC(=O)Nc1ccc(cc1)C=C1Cn2c(C1=O)ccc2	EMOLS-id_300774717,MCULE-8154077173,PC-id_71899750	266.295	GCMMHQQWYFOAQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035240
CC(=O)Nc1ccc(cc1)/C=C/1Cn2c(C1=O)ccc2	PC-id_24240757,CoCoCo_4588810	266.295	GCMMHQQWYFOAQC-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035241
CC(=O)Nc1ccc(/C=C/Cn3cccc3C2=O)cc1	PC-id_97993806,CoCoCo_4588811,ZINC22_98054313	266.295	GCMMHQQWYFOAQC-LCYFTJDESA-N	00000010100000110000000010000000000000000000000000000000	25-01-035242
COc1ccc(cc1)C(=O)c1ccc2n1CCC2C#N	PC-id_21331532,SCHEMBL11346567	266.295	NXIFEBLTSQEFIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035243
N#Cc1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)O	PC-id_59180066,SCHEMBL1006757	266.295	CIPSYQSTCNJFIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035244
c12CN(Cc1nn(CC)c2C(=O)N(C)C)C(=O)OC	EMOLS-id_324352873,MCULE-7714230909	266.296	FKAGALUYTNVHQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035245
c12CN(Cc1nn(C(C)C)c2C(=O)NC)C(=O)OC	MCULE-8102996320,EMOLS-id_324352109	266.296	VMSWFWBFADQWRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035246
c12CN(Cc1nn(C(C)(C)C)c2C=NO)C(=O)OC	EMOLS-id_324354669,MCULE-3849784797	266.296	HUSFZWSLZIDAHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035247
C1COCCN1CCNC(=O)c1nn2CCOc2c1	PC-id_91959851	266.296	OZPZEPQDVOBIRH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035248
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)C)Cc12	MCULE-8892434369,EMOLS-id_316322098	266.296	CPTAHXMSGNCHJU-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-035249
C[C@@]1(CN2CCCCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_141088118	266.296	KEINGMOQAQYEBY-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035250
CC(C)(C)OC(=O)N1Cc2cn(CC(=O)N)nc2C1	PC-id_69930291,EMOLS-id_49843031,MCULE-3851836842,SCHEMBL6893628	266.296	YVEMHRRTYLLMSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035251
CC(C)(C)OC(=O)N1Cc2cnn(CC(=O)N)c2C1	EMOLS-id_49846231,MCULE-6416680360,SCHEMBL6891275,PC-id_69929769	266.296	XDPWTVJTSWAECX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035252
CC(C)NC(=O)CCNC(=O)c1nn2CCOc2c1	PC-id_91959832	266.296	YEDDXLZNIDCGEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035253
CCCNC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319545783	266.296	HQFQKPDZTIZIPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035254
CCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319701109	266.296	KEWHTYUHBODRCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035255
CCOC(=O)n1nc2c(c1NC(=O)C)CNC2(C)C	PC-id_58015701,SCHEMBL1206322	266.296	SWEQEGGBQWKINL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035256
CC(=O)Nc1nn2c(c1)N(CC2)C(=O)OC(C)(C)C	SCHEMBL12307554,PC-id_58441173	266.296	DNDFHWBCCDTYAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035257
CNC(=O)[C@@H]1N(Cc2c1cn[nH]2)C(=O)OC(C)(C)C	PC-id_141411259	266.296	ZPUPSIOYWIDXFR-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035258
COC(=O)c1c(NC(=O)NC(C)C)nc2n1CCC2	EMOLS-id_319873027	266.296	SXPAAZVDZSYBDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035259
OCC(=O)NCCC(=O)Nc1n(C)nc2c1CCC2	MCULE-4309367540,EMOLS-id_258067816	266.296	KQOHEEYKLOJPSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035260
O=C(N1Cc2c(C1)nc(n2C)C(=O)N)OC(C)(C)C	SCHEMBL17380682,PC-id_118614411	266.296	MSFJLQUSVSOIDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035261
O=C(NC(c1n2CCCc2nn1)C)CCCC(=O)O	PC-id_54868275	266.296	VCWPNYOZFWGCQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035262
O=C(N(Cc1n2CCCc2nn1)C)CCCC(=O)O	PC-id_54875744	266.296	CHSAFXADRHFPTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035263
c1(C(=O)Nc2cccc(c2)C#N)c2CCCc2n(C)n1	EMOLS-id_179745508,PC-id_110389148,MCULE-9668130347	266.298	YRUHTNSFQOSQDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035264
c1(C(=O)Nc2ccccc2C#N)c2CCCc2n(C)n1	MCULE-7157105368,EMOLS-id_179745505,PC-id_110389147	266.298	ITQXCUQKEIXROD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035265
c1(C(=O)Nc2ccc(cc2)C#N)c2CCCc2n(C)n1	MCULE-7897798759,PC-id_110389149,EMOLS-id_179745511	266.298	LIAHIGILLBMRDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035266
N#Cc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317943635	266.298	WXYASAYBKFBVDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035267
N#Cc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317946789	266.298	JPTAHUSDTOYBIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035268
N#Cc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318909475	266.298	FWHUOEPZEFFWQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035269
N#Cc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-1348179295,EMOLS-id_320273927	266.298	RKAUNRQLJXRNQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035270
N#Cc1c(N)c(C(=O)Nc2ccccc2)n2c1CCC2	NSC696769,PC-id_393842,CoCoCo_5763400,CHEMBL583492	266.298	XNDXAYSKHGTEPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035271
N#CCc1ccccc1C(=O)NC1CCn2c1ncc2	EMOLS-id_319595866	266.298	JTURCJYVCJUBRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035272
O=C(c1cnn2c1CCC2)NCC#Cc1cccnc1	EMOLS-id_320179268,MCULE-9577169070	266.298	RTRCVAFQSIIMHP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035273
O=C(c1nn2c(c1)CCC2)NCC#Cc1cccnc1	EMOLS-id_319089024	266.298	QUZLJMQDHBMNGQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035274
O=C(Nc1n(nc2c1CCC2)C)c1ccc(cc1)C#N	PC-id_45536279	266.298	XZGBVKXJIZTYAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035275
C[n+]1c(scc1)N=Nc1c(n2CCCn2c1=O)O	SCHEMBL3401555,PC-id_136155032	266.3	VRMFPXBCOVLCJA-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-035276
O=C(N(Cc1n2CCCc2nn1)C)C(N)CC(=O)N	PC-id_54872809	266.3	PNJVDKWVAMHTJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035277
O=C(NC(c1n2CCCc2nn1)C)C(N)CC(=O)N	PC-id_60848486	266.3	IFIXQIDMKLITEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035278
O=C(N(Cc1n2CCCc2nn1)C)CNC(=O)CN	PC-id_54872833	266.3	HAFCDMNFCBCDAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035279
O=C(NC(c1n2CCCc2nn1)C)CNC(=O)CN	PC-id_60848311	266.3	XQGKTBUVFRRYDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035280
c1ccc(cn1)c1ccnn1Cc1nnc2n1CCC2	EMOLS-id_319231991	266.301	JZGUZSABZVXUNJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-035281
c1ccc(nc1)c1ccn(n1)Cc1nnc2n1CCC2	EMOLS-id_319125542	266.301	VPJGMFSDEIWXTB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-035282
n1ccc(cc1)c1ncn(c1)Cc1nnc2n1CCC2	EMOLS-id_319939185,MCULE-5966456378	266.301	RZMLHXHOLKGDMJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-035283
Fc1cccc(c1C(c1sc2c(c1)CCC2)O)F	PC-id_115799555	266.306	OLSHOAAALHJYIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035284
Fc1cc(F)cc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115793182	266.306	KBJAFSUKQRLOGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035285
OC(c1cccc(c1F)F)c1sc2c(c1)CCC2	PC-id_115800737	266.306	LPCOZOVWPWQYAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035286
s1c2c(CCC2)cc1C(O)c1cc(F)c(F)cc1	PC-id_61087183	266.306	PMFGJJLQYWJUHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035287
s1c2c(CCC2)cc1C(O)c1c(F)ccc(F)c1	PC-id_61101653	266.306	ZADFOJIQWYUWNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035288
s1c2c(CCC2)cc1C(O)c1c(F)cc(F)cc1	PC-id_61087173	266.306	HFIFSFOGCNTQPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035289
C1Cn2c(c[nH]c2=S)C1Cc1cc(cc(c1)F)F	SCHEMBL20005973,PC-id_134377186	266.31	ZYNIHEXISVHZSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035290
c1(C(N)c2c(cccc2F)F)sc2c(CCC2)n1	PC-id_61331488,MCULE-4366197220	266.31	CZBWLFLZNGXNBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035291
c1(C(N)c2ccc(c(F)c2)F)sc2c(CCC2)n1	MCULE-1644023876,PC-id_61331683	266.31	CTDAFGMDMDYYCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035292
Fc1cnc(c(c1)F)NCc1sc2c(c1)CCC2	EMOLS-id_315824914,PC-id_112675700	266.31	UWWKFKUBTLRHFX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-035293
s1c2CCCc2nc1C(N)c1cc(F)cc(F)c1	PC-id_83334010	266.31	QTTMTMTWTFHTQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035294
s1c2CCCc2nc1C(N)c1c(F)ccc(F)c1	PC-id_61330098	266.31	ILGGVURBHLDMHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035295
s1c2CCCc2nc1C(N)c1c(F)cc(F)cc1	PC-id_61332868	266.31	PYECINZULJGAFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035296
s1c2CCCc2nc1C(N)c1c(F)c(F)ccc1	PC-id_55232526	266.31	GWHZIYJBXQQONE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035297
OC(=O)c1sc2c(c1S(=O)(=O)O)CSC2	PC-id_122577922,SCHEMBL18100496	266.315	GUNWYYJTLVXQMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035298
CN(C)C=C(C(=O)c1nc2c(s1)CCC2)C(=O)O	PC-id_90112775	266.316	GHJLSJSYHVIXJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035299
CN(/C=C(/C(=O)c1sc2c(n1)CCC2)C(=O)O)C	SCHEMBL15661898	266.316	GHJLSJSYHVIXJL-SREVYHEPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035300
CNC(=O)C=C1CSc2n1cc(c2C(=O)OC)C	PC-id_139819439	266.316	BFSSWUHEOZTRLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035301
O=C(C1CC1)Nc1sc2c(c1C(=O)N)C(OC2)C	SCHEMBL5453373,PC-id_69447742	266.316	YEFWYMPFGZKVAA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-035302
O=C(C(=C(C(=O)O)C)C)Nc1sc2c(n1)CCC2	PC-id_76992799,EMOLS-id_314943286	266.316	UUJTUKJJDBHKPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035303
O=C(N1CC(C1)(O)C(=O)N)c1sc2c(c1)CCC2	MCULE-5609602319,EMOLS-id_258145846	266.316	GZLYALKSKSYBLJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-035304
O=C(Nc1sc2c(c1C(=O)O)CCC2)NC1CC1	EMOLS-id_314959059,PC-id_62700600	266.316	PJTLCKYYUMJBMM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-035305
OC(=O)C1(CCC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314145693,PC-id_62095263	266.316	NHYFQIWJTHWGMF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035306
s1c2CCCc2nc1NC(=O)/C(=C(/C)C(=O)O)/C	PC-id_63270289	266.316	UUJTUKJJDBHKPB-SREVYHEPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035307
S1(=O)(=NC(=O)c2c1snc2S(=O)(=O)C)C	PC-id_6421257	266.318	RRDNPEWLHBHNMM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-035308
Cc1cnc(S(=O)(=O)Cc2cc3n(n2)CCC3)[nH]1	PC-id_139016678,EMOLS-id_317751721,MCULE-8886750505,ZINC22_1776004758	266.319	WSQMQKYLUCJAJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035309
CC(C)(C)OC(=O)Nc1nc2SCCn2c1C#N	EMOLS-id_331245340	266.319	ORBNLOUIZMVHCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035310
C[C@@H]1NC(=O)N(C1=O)CCc1nc2n(c1)CCS2	EMOLS-id_100761975	266.319	TXIUQJSDSWKERQ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035311
CN1CC(=O)N(C1=O)CCc1nc2n(c1)CCS2	EMOLS-id_100791027	266.319	YEQNZZFZIDAKLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035312
N#CC1(C)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100362630	266.319	XWDLPBWCKSLKQW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035313
N#CCN(S(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100188564	266.319	GOBPZHWMZOEEIO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035314
O=C1NCC(NC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_113958992	266.319	FGIFJBVQRNBGEL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035315
s1c2c(CCC2)cc1CNC1NNC(=O)NC1=O	PC-id_76895637	266.319	MSYODQLXVINEJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035316
c1(C(=O)OCC)c2C(C)CCc2n(CC(CC)O)n1	MCULE-3447878057,EMOLS-id_331001079	266.336	NOMSLGWEIGQSIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035317
c1(C(=O)OCC)c2C(C)CCc2nn1CC(CC)O	MCULE-4859977432,EMOLS-id_330983096	266.336	NEQPBFGIPNQAFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035318
c1(C(=O)OC(C)(C)C)c2COCc2nn1C(C)(C)C	MCULE-1310477419,EMOLS-id_324401751	266.336	ZSSNUSTYNHLNMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035319
o1c2c(CN(C2)C(=O)OC(C)(C)C)c(c1C)CCN	PC-id_84807899	266.336	MBRASJAVTCZMGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035320
o1c2c(C(NC(=O)OC(C)(C)C)(CC2)CCN)cc1	PC-id_83693773	266.336	DLUOOGAOZMCMNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035321
s1c2c(CCC2)c(c1NC(=O)C(C)(C)C)C(=O)[O-]	PC-id_7063553	266.336	KKNJRZRZFPXFTE-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-035322
s1c2c(CCC2)c(c1NC(=O)CC(C)C)C(=O)[O-]	PC-id_7063666	266.336	BEGPYKGGTXNTLY-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-035323
CC(=C)C1Cc2c(C1)n(nc2C)C(=O)c1ccccc1	MCULE-2647471009,CNP0360527,STOCK1N-00898,PC-id_3731454,EMOLS-id_4782183	266.338	PZNPTEZHJAKADI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035324
C=C(C)[C@H]1Cc2c(C)nn(C(=O)c3ccccc3)c2C1	PC-id_927563,ZINC22_517334	266.338	PZNPTEZHJAKADI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035325
C=C(C)[C@@H]1Cc2c(C)nn(C(=O)c3ccccc3)c2C1	ZINC22_517335,PC-id_927564	266.338	PZNPTEZHJAKADI-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035326
[se]1c2CCCc2[se]c1=S	PC-id_10912509	268.097	APHOIPAUTURPJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036118
c12CN(Cc1[nH]c(C(CC)N)n2)C(=O)OC(C)(C)C	MCULE-8952236666,PC-id_83949399	266.339	NDYLBAFMOKBNMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035327
c12CN(Cc1nn(CC)c2CN(C)C)C(=O)OCC	MCULE-4145830175,EMOLS-id_324351846	266.339	MCJFQXDPDSVGSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035328
c12CN(Cc1nn(CC)c2CN)C(=O)OC(C)(C)C	EMOLS-id_324347759,MCULE-6033713976,PC-id_105516019	266.339	CLDHEWRWHDBYBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035329
c12CN(Cc1nn(CCC)c2CN(C)C)C(=O)OC	MCULE-9928747586,EMOLS-id_324353893	266.339	MNXRJTMWJLVZGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035330
c12CN(Cc1nn(C(C)C)c2CNC)C(=O)OCC	EMOLS-id_324352866,MCULE-5649613792	266.339	WWOGAZQRUOMISX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035331
c12CN(Cc1nn(CC(C)C)c2CNC)C(=O)OC	MCULE-1294548931,EMOLS-id_324350818	266.339	GZBQACUMEUYGKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035332
CC1CC(c2n1ncn2)NCCCOC1COCC1	EMOLS-id_279083591	266.339	XLJPNQXWMRVMLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035333
CC1CC(c2n1ncn2)NCCOCC1CCCO1	EMOLS-id_279083108	266.339	VQPPNPPAYCPSPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035334
CC(c1nnc2n1CCC2)NC1COC(OC1)(C)C	PC-id_106658548	266.339	IFLRJMMVLBVRKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035335
CC(C)C1N(Cc2c(N)n[nH]c12)C(=O)OC(C)(C)C	EMOLS-id_300629631,MCULE-5654146451,PC-id_53395335	266.339	BGXWEOOVPZIQDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035336
CCCC(CCC)CN1CCn2c1c(cn2)[N+](=O)[O-]	PC-id_89546243,SCHEMBL14922854	266.339	FVHLOVRZEACPHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035337
CC(CCCN(C)C)NC(=O)c1nn2CCOc2c1	PC-id_91959891	266.339	IEBKSMLMICROGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035338
CC(C)[C@@H]1N(Cc2c(N)n[nH]c12)C(=O)OC(C)(C)C	PC-id_45489936,MCULE-2177479496,EMOLS-id_43214987	266.339	BGXWEOOVPZIQDT-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-035339
CC(C)(CNC(=O)c1nn2CCOc2c1)CN(C)C	PC-id_91959885	266.339	PMYLBRIPTOKUKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035340
CC(C)(C)OC(=O)NC(CN)c1n[nH]c2CCCc12	EMOLS-id_313942381,MCULE-2801193779	266.339	UJFLSWCKMVZJMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035341
CC(C)(C)OC(=O)NCC(N)c1n[nH]c2CCCc12	EMOLS-id_313943149,MCULE-1064307337	266.339	WRFMZQQLDPZFQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035342
CC[C@H](C)NC(=O)CN1Cc2cnn(CCO)c2C1	ZINC22_299787984	266.339	ZODKQRHHOYFKBZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-035343
CC[C@@H](C)NC(=O)CN1Cc2cnn(CCO)c2C1	ZINC22_299787988	266.339	ZODKQRHHOYFKBZ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035344
CC(C)Nc1n[nH]c2CN(Cc12)C(=O)OC(C)(C)C	MCULE-3397371633,EMOLS-id_259606428	266.339	TVFHIIMRAJVHEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035345
CC(NC1CC(n2c1ncn2)C)COC1COCC1	MCULE-1961379211,EMOLS-id_319900243	266.339	KGJSUNZNSNZELZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035346
CCN(CC)CCCNC(=O)c1nn2CCOc2c1	PC-id_91959865	266.339	TUAGPTSUCJSFMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035347
CCN(CC)CCNC(=O)c1nn2CCOc2c1C	PC-id_91959972	266.339	JYQCGCSQCYQECB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035348
CCN(CC)C(=O)CN1Cc2cnn(CCO)c2C1	PC-id_91841053,MCULE-8352298792,ZINC22_252496983,EMOLS-id_55690275	266.339	PXBCLJMDEPAPHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035349
CCN(C(=O)c1nc2c(n1C(C)C)CN(C2)O)CC	SCHEMBL17380139,PC-id_118613883	266.339	JYQAXYVVJJYIBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035350
CCOCC(=O)N1Cc2c(CN(C)C)nn(C)c2C1	PC-id_97405292,EMOLS-id_46181939,ZINC22_96084466	266.339	PMWHDOZWNOIBLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035351
CCOC(=O)n1nc(c2c1C(C)(CCC)N(C2)C)N	PC-id_142912123	266.339	OTIZJUZFHIBRTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035352
CNc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_145111663	266.339	REBFMAJTTLVOAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035353
COC1(COCC1)CN(Cc1nnc2n1CCC2)C	EMOLS-id_316385519,MCULE-9301000334	266.339	UOTBUQHARXBQKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035354
NCc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)CC	PC-id_105516015	266.339	OFJHRQXCMPGYMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035355
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)CCCN	PC-id_83949403	266.339	OTHIBPLTYRSUII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035356
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)CNCC	PC-id_83949411	266.339	SBIGLAGKVHWAEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035357
O(C(C)(C)C)C(=O)NCCCN1CCn2nccc12	SCHEMBL2524679,PC-id_67438806	266.339	YZZMPPDGMMWSSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035358
O(C(C)(C)C)C(=O)NCCCN1n2c(ncc2)CC1	SCHEMBL2524681,PC-id_67438807	266.339	JUGHANZGRPBVIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035359
OCCn1ncc2c1CN(C2)C(C(=O)N(CC)C)C	MCULE-1294748547,PC-id_118792031,EMOLS-id_68934091	266.339	BIDBGNAQNYGIBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035360
OCCn1ncc2c1CN(C2)CC(=O)NC(CC)C	MCULE-7151173870,PC-id_118776937,EMOLS-id_68904054	266.339	ZODKQRHHOYFKBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035361
OCCN(CCN(C(=O)c1cn2c(n1)CCC2)C)C	EMOLS-id_278982106	266.339	RFUUVSYIMNDKTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035362
OCCN(CCN(C(=O)c1cnc2n1CCC2)C)C	EMOLS-id_316585105	266.339	NZTHFKSLPJJSQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035363
OCCN(CCN(C(=O)c1cnn2c1CCC2)C)C	EMOLS-id_278982121	266.339	KCNZFHFCSYNYAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035364
O=C(N1Cc2c(C1(C)C)n(nc2N)C)OC(C)(C)C	PC-id_69758198,SCHEMBL6375680	266.339	SKLHAVHBHPRVQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035365
O=C(N1Cc2c(C1(C)C)nn(c2N)C)OC(C)(C)C	SCHEMBL19200586	266.339	GFEJAXBCINNHKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035366
O=C(N1Cc2c(C1)c(nn2C(C)C)N)OC(C)(C)C	PC-id_105422367	266.339	LBYHYJCSWUMQNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035367
O=C(N1Cc2c(C1)c(n(n2)C(C)C)N)OC(C)(C)C	PC-id_105422368	266.339	SRNCWOIIQRBEFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035368
O=C(NC(c1nnc2n1CCC2)C)COC(C)(C)C	PC-id_112604599	266.339	PMJLKURRFCMYFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035369
O=C(N(Cc1nnc2n1CCC2)C)COC(C)(C)C	PC-id_112604639	266.339	JXQUBGGBKVSAHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035370
OC(=O)C1CCc2c1nc(s2)Nc1cscc1	PC-id_104289024	266.339	AHHDHCQQDREWEZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-035371
O(C(=O)N1Cc2c(n(nc2CCN)C)C1)C(C)(C)C	PC-id_83866727	266.339	QTHTVAAMOSGMJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035372
O(C(=O)N1Cc2c(nn(c2CCN)C)C1)C(C)(C)C	PC-id_83866759	266.339	NNPMUSAYHJMHKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035373
O(C(=O)N1Cc2c(n(nc2CNC)C)C1)C(C)(C)C	PC-id_83866728	266.339	FLWDEIBDRBALMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035374
O(C(=O)N1Cc2c(nn(c2CNC)C)C1)C(C)(C)C	PC-id_83866760	266.339	DYIULMGAAIAVMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035375
O=S(=O)(c1ccccc1)N1Cc2c(C1)ncs2	SCHEMBL741764,PC-id_18442806	266.339	YLYWGSBFXXMBHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035376
S1Cc2c(noc2NC(=O)c2scc(c2)C)C1	PC-id_45505368	266.339	QFBBVSZOCWCLOJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-035377
S1Cc2c(noc2NC(=O)Cc2sccc2)C1	PC-id_49720090	266.339	HDSRVYSTEKDENV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-035378
c12CN(Cc1nn(C(C)C)c2C#N)Cc1ccccc1	MCULE-3043889462,EMOLS-id_324356202	266.341	QBYHNVLFJIZSFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035379
c1(NC(=O)Cc2cccs2)nnc2SCCn12	CoCoCo_2590534,MCULE-6294429120,PC-id_22582974,ZINC22_17170085,EMOLS-id_16349483	266.343	BQMBAEHSPWPCRH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-035380
c1(sc2c(CCC2)n1)NC(=O)c1snnc1C	ZINC22_36709423,CoCoCo_5285002,PC-id_45497115,MCULE-2307578635,EMOLS-id_29281072	266.343	JPYUNZZQJQTIHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035381
C[C@@H](CNC(=O)N[C@H]1C[C@H](C)n2ncnc12)N(C)C	ZINC22_661274173	266.343	FOHLHTXGZRGHPF-GUBZILKMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035382
C[C@@H](CNC(=O)N[C@@H]1C[C@@H](C)n2ncnc12)N(C)C	ZINC22_661274174	266.343	FOHLHTXGZRGHPF-KXUCPTDWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035383
C[C@@H](CNC(=O)N[C@@H]1C[C@H](C)n2ncnc12)N(C)C	ZINC22_661274175	266.343	FOHLHTXGZRGHPF-LPEHRKFASA-N	00000010100000000001000010000000000000000000000000000000	25-01-035384
C[C@@H](CNC(=O)N[C@H]1C[C@@H](C)n2ncnc12)N(C)C	ZINC22_661274176	266.343	FOHLHTXGZRGHPF-UTLUCORTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035385
Nc1nnc(s1)NC(=O)c1sc2c(c1)CCC2	PC-id_79512506,EMOLS-id_42331699	266.343	YZYKAANESLPDRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035386
Nc1scc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_62787406,EMOLS-id_39380248	266.343	IPCXHWKTIVLLBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035387
O=C(NC1CC(n2c1ncn2)C)NC[C@@H](N(C)C)C	PC-id_146107413,MCULE-1392408735,EMOLS-id_324029302	266.343	FOHLHTXGZRGHPF-KYHHOPLUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035388
FCCn1c(c2C(CC(c2c1C)(C)C(=O)N)(C)C)C	SCHEMBL11663161,PC-id_12894342	266.354	WDWUETIEWNZEKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035389
c1(C(=O)NCC2CCCO2)c2CCCc2sc1N	MCULE-7459874411,EMOLS-id_36812674,PC-id_20109786,TIMTEC60835	266.359	ARWYCUBVLAUJHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035390
c1(C(=O)O)c2CSCc2nn1CC1CCCCC1	MCULE-3061161120,EMOLS-id_324395098	266.359	PMYRXUDNHGDZQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035391
c1(N=CN(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-8986984819,PC-id_2907746,ChEMBL-DNDi_CHEMBL1352213,EMOLS-id_300167831	266.359	AEZXGOOZIUWETC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035392
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL1572342,EMOLS-id_2307219,CoCoCo_940569,ZINC22_4197214,MCULE-2004013505,CHEMBL1572342,SPECS-id_AN-153/KC16218,BindingDB_PC-id_2941851,CK1577371,PC-id_2941851,BindingDB-id_79764	266.359	XGHMYAGRKKGWJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035393
c1(NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)N	PC-id_4502896,MCULE-7835427594,SCHEMBL8289831,EMOLS-id_181348258,ZINC22_6262816	266.359	BYNFYWJSHXNPHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035394
c1(NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)N	SCHEMBL8289832,MCULE-8614081604,SPECS-id_AG-690/11665424,EMOLS-id_30310756,ZINC22_3079078,PC-id_4503182,SPECS-id_AN-153/KC16217,GD-id_ZINC03079078	266.359	ZPOZVHBFAVHLLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035395
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)NC	PC-id_7475023,MCULE-2111081782,CoCoCo_2590284,EMOLS-id_13439879,ChEMBL-DNDi_CHEMBL1529947,CHEMBL1529947	266.359	MJHATJHPFWUYCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035396
CC1CC1CN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_113395793	266.359	XHJSSSRMRSVEQI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035397
CC1CCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288766	266.359	SOQPEXDWKRJVPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035398
CC1CCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_113598547	266.359	RXOWKXKUUSEZST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035399
CC1COCCCN1C(=O)c1sc2c(n1)CCC2	MCULE-1184214150,EMOLS-id_313157429	266.359	JHIABADNGDKNMM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035400
CCC1(CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105713406	266.359	MJFBQHNISGIQJA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035401
CC(C1CCC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_113504479	266.359	WSGKIPSDMBQINV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035402
CCC1(CCC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_116217952	266.359	CUDUPEPHJQZXMH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035403
CCC1(O)CCN(C1)C(=O)c1sc2c(n1)CCC2	MCULE-4693348056,EMOLS-id_313159478	266.359	RNKVWUBABMPLTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035404
CC[C@@]1(O)CCN(C(=O)c2nc3c(s2)CCC3)C1	ZINC22_334908899	266.359	RNKVWUBABMPLTQ-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035405
CC[C@]1(O)CCN(C(=O)c2nc3c(s2)CCC3)C1	ZINC22_334908900	266.359	RNKVWUBABMPLTQ-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035406
CCCC1CC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_114112569	266.359	ZCXVGPQWJSNGIW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035407
CCCC=CC(C(=O)Nc1sc2c(n1)CCC2)O	EMOLS-id_316474109	266.359	ULSFFTHPOAVIQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035408
CC(C)(C)NC(=O)Nc1c(c2c(s1)CCC2)C=O	PC-id_88275426,SCHEMBL8290449	266.359	WTLWMEVJSPUWHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035409
CCCC(=O)Nc1sc2c(c1C(=O)NC)CCC2	MCULE-3404913513,PC-id_7475034,CoCoCo_2590291,EMOLS-id_16349161	266.359	RIDRCBLJXNEOEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035410
CC(CC(=O)NNC(=O)c1sc2c(c1)CCC2)C	CoCoCo_3440015,MCULE-5371916266,PC-id_25498478,EMOLS-id_18833132	266.359	KLRRWGSUQVDUGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035411
CCCN(c1nc2c(s1)CCC2C(=O)O)C1CC1	PC-id_104287829	266.359	VHKNBEALGSZGKA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035412
C[C@@H]1COCCCN1C(=O)c1nc2c(s1)CCC2	ZINC22_667258055	266.359	JHIABADNGDKNMM-SECBINFHSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035413
C[C@H]1COCCCN1C(=O)c1nc2c(s1)CCC2	ZINC22_667258056	266.359	JHIABADNGDKNMM-VIFPVBQESA-N	00000010100000000101000010000000000000000000000000000000	25-01-035414
CC(Nc1nc2c(s1)CCC2C(=O)O)CC1CC1	PC-id_113395785	266.359	OKSIVTHXZQJTGZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035415
CCN(c1nc2c(s1)CCC2C(=O)O)CC1CC1	PC-id_113395797	266.359	CLBLCGDGNQILTB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035416
CCOC(=O)C1CCc2c1nc(s2)N(C1CC1)C	PC-id_104287807	266.359	WKVCDSQUIKHLJS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035417
CCOC(=O)C1CCc2c1nc(s2)NC1CC1C	PC-id_113395771	266.359	UXDOIHNXCYOTDT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035418
CCOC(=O)C1CCc2c1nc(s2)NC1CCC1	PC-id_104288637	266.359	QZRQHTRRFXXOBY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035419
CCOC(=O)C1CCc2c1nc(s2)NC1(C)CC1	PC-id_116196529	266.359	UXBDDHSLWBECJD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035420
CCOC(=O)C1CCc2c1nc(s2)NCC1CC1	PC-id_113395655	266.359	IHRRZECCRTVTCM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035421
CCOC(=O)c1c(/N=CN(C)C)sc2c1CCC2	CoCoCo_810232	266.359	AEZXGOOZIUWETC-ZSOIEALJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035422
CCOC(=O)c1c(/N=C/N(C)C)sc2c1CCC2	EMOLS-id_25924265,ZINC22_100840260,CoCoCo_810231,PC-id_9586827	266.359	AEZXGOOZIUWETC-RIYZIHGNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035423
CN(C(=O)CCNC(=O)c1sc2c(c1)CCC2)C	PC-id_86996631	266.359	XATOAMBVKCBJBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035424
Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	PC-id_40985533,ZINC22_9246174,GD-id_ZINC09246174	266.359	ARWYCUBVLAUJHW-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035425
Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	ZINC22_9246175,PC-id_40985534	266.359	ARWYCUBVLAUJHW-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035426
NCC1OCCN(C1)C(=O)c1sc2c(c1)CCC2	MCULE-7500987125,PC-id_114398296,EMOLS-id_302670630	266.359	NGOZSBKNUINUGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035427
OC1CNCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_120947997	266.359	KEKBIWUOKLYNFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035428
O=C(C1(C)COC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181797,MCULE-2069186131	266.359	HDHPIMPLYPSFTM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035429
O=C(c1sc2c(c1)CCC2)NCC1NCCOC1	PC-id_103548633	266.359	NEMUMZRJHPGUNC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035430
O=C(c1sc2c(c1)CCC2)NCC1OCCNC1	MCULE-3339626717,PC-id_113287099,EMOLS-id_71175449	266.359	NVXBDUNMXGWPAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035431
O=C(c1sc2c(c1)CCC2)NCC(C(=O)N)(C)C	PC-id_86996710	266.359	SLGLDVYHXMLQNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035432
O=C(C[C@@H]1CCC[C@H]1O)Nc1sc2c(n1)CCC2	MCULE-6200085620,EMOLS-id_320166792	266.359	DKZKMCZAPPBYBK-WCBMZHEXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035433
O=C([C@H]1CCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181761	266.359	XMHALZBBPCZWEQ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035434
O=C([C@@H]1CCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181779	266.359	XMHALZBBPCZWEQ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035435
O[C@H]1CNC[C@@H]1N(C(=O)c1sc2c(c1)CCC2)C	PC-id_105608887	266.359	DNEXTXCAABMIMU-UWVGGRQHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035436
O=C(n1sc2c(c1=O)CCC2)NC1CCCCC1	PC-id_20159719,SCHEMBL10736158	266.359	YZEXLPLYOFVTRX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035437
OC(=O)C1CCc2c1nc(s2)N(C1CCCC1)C	PC-id_113395685	266.359	UGLWCLJAANFIQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035438
OC(=O)C1CCc2c1nc(s2)NC1CCCCC1	PC-id_104287425	266.359	FGEBXHFHQMAVST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035439
OC(=O)C1CCc2c1nc(s2)NC1(C)CCCC1	PC-id_104288884	266.359	XWTPQNPQUDEWCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035440
OC(=O)C1CCc2c1nc(s2)N(C(C1CC1)C)C	PC-id_104287959	266.359	GGDNAJMLQMFBEJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035441
OC(=O)C1CCc2c1nc(s2)NCC1CC1(C)C	PC-id_114109964	266.359	UEGOTGFROJBMMN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035442
OC(=O)C1CCc2c1nc(s2)NC(C1CC1)(C)C	PC-id_114112572	266.359	ARESMVQDLBRPBY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035443
OC(=O)C1CCc2c1nc(s2)N(CC1CCC1)C	PC-id_104288618	266.359	PVBGSRXYMUXVIA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035444
OC(=O)C1CCc2c1nc(s2)NCC1CCCC1	PC-id_113395698	266.359	AWXLIRKREDIJGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035445
OC(=O)C1CCc2c1nc(s2)NCC1(C)CCC1	PC-id_114109958	266.359	PWVFCCLOLULURN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035446
OC(=O)C1CCc2c1nc(s2)NCC(C1CC1)C	PC-id_116122010	266.359	YEGAVHLKYRIOCZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035447
OC(=O)C1CCc2c1nc(s2)NCCC1CCC1	PC-id_113479496	266.359	ACLHHKZNGOMCNZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035448
OC(=O)C1CCc2c1nc(s2)NCCCC1CC1	PC-id_116422022	266.359	GFHXFSLEDXXRNM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035449
OC(=O)CC1(CNC1)NCc1sc2c(c1)CCC2	PC-id_107142444	266.359	TYWROIPGDOOKPC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-035450
s1c2c(CCC2)cc1CNC(=O)C1C(N)COC1	PC-id_66237880	266.359	FCLQYVSUJSQLDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035451
s1c2c(CCC2)cc1CNC(=O)C1NCC(O)C1	PC-id_61208603	266.359	UGRXRFFKBBASTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035452
s1c2c(CCC2)cc1CNC(=O)C1(N)CCOC1	PC-id_64892170	266.359	MCFZUGMWLWJRAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035453
s1c2c(CCC2)cc1CNC(=O)C1NCCOC1	PC-id_65518052	266.359	GSXVANWCOIWVQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035454
s1c2c(CCC2)cc1CNC(=O)C1OCCNC1	PC-id_61740081	266.359	RJYGHEYZIHMJPN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035455
s1c2c(CCC2)cc1C(=O)NC1[C@@H](OC)CNC1	PC-id_43594133	266.359	QMVBWZWJFLNTTA-AXDSSHIGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035456
s1c2c(CCC2)cc1C(=O)NC1C(OC)CNC1	PC-id_74883451	266.359	QMVBWZWJFLNTTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035457
s1c2c(CCC2)cc1C(=O)N(C1C(O)CNC1)C	PC-id_74884105	266.359	DNEXTXCAABMIMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035458
s1c2CCCc2cc1C(=O)NC(C(=O)NCC)C	PC-id_47117008	266.359	SOGGFOYHIUBLOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035459
s1c2CCCc2cc1C(=O)NCC(=O)NCCC	PC-id_9163182	266.359	ASTOGMQLWWBHMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035460
s1c2CCCc2cc1C(=O)NCC(=O)NC(C)C	PC-id_9300767	266.359	XPFLGTWUTDOXMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035461
s1c2c(CCC2)cc1C(=O)N([C@H]1[C@H](O)CNC1)C	PC-id_43595947	266.359	DNEXTXCAABMIMU-NXEZZACHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035462
s1c2CCCc2cc1C(=O)N[C@@H](C(=O)NCC)C	PC-id_9470437	266.359	SOGGFOYHIUBLOV-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035463
s1c2CCCc2cc1C(=O)N[C@H](C(=O)NCC)C	PC-id_9470439	266.359	SOGGFOYHIUBLOV-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035464
s1c2CCCc2cc1C(=O)NNC(=O)CCCC	PC-id_27684404	266.359	CWTZRESJMIXPNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035465
s1c2CCCc2cc1C(=O)NNC(=O)C(CC)C	PC-id_51331574	266.359	GEQFPOMDZBCCQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035466
s1c2c(C(CC2)C)c(c1N)C(=O)N1CCOCC1	PC-id_65046646	266.359	QYCWYTQNBLRFLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035467
s1c2C(=O)N(C(CCCCC)C)C(=O)c2nc1C	PC-id_85635110	266.359	HNBIPJFSBITUAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035468
s1c2C(=O)N(C(C)(C)C)C(=O)c2nc1CCCC	PC-id_15672455	266.359	VFFPICNZZMPOPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035469
S1Cc2c(onc2C1)NC(=O)CC1CCCCC1	PC-id_49719023	266.359	XAGSZOKSZBCXKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035470
S1Cc2c(onc2C1)NC(=O)CCC1CCCC1	PC-id_49719024	266.359	FZRSQXRQBOTVMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035471
s1c(nc2c1C(=O)N(C(C)(C)C)C2=O)C(C)(C)C	PC-id_15672440	266.359	DUEWXBVMTBXECG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035472
c1(C#N)c2CCCc2sc1N=Cc1ccc(cc1)C	PC-id_1514620,MCULE-1375594006	266.361	OBDVAFKJTXUBIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035473
c1(C#N)c2CCCc2sc1/N=C/c1ccc(cc1)C	ZINC22_1436525,MCULE-2655831457,EMOLS-id_27251826,PC-id_9600019,TIMTEC349125	266.361	OBDVAFKJTXUBIV-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035474
N#C/C(=C(c1sc2c(c1)CCC2)/N)/c1ccccc1	PC-id_104011931	266.361	HIMXCMXSVVAHEC-SSZFMOIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035475
s1c2CCCc2c(c1N=Cc1cc(ccc1)C)C#N	PC-id_24102389	266.361	SOAHHVKEIQLWMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035476
c12CN(Cc1sc(N)n2)C(C)C(=O)N1CCCC1	MCULE-2003650460,PC-id_82194292	266.363	NITKXDFPSYQKQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035477
c1(NC(=O)CC2CCCCC2)nnc2SCCn12	MCULE-4324415526,EMOLS-id_16349343,CoCoCo_2590462,ZINC22_16890269,PC-id_22582933	266.363	ZLVBRODKTDLLBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035478
c1(NC(=O)CCC2CCCC2)nnc2SCCn12	PC-id_22582935,MCULE-6533753129,CoCoCo_2590464,ZINC22_21110701,EMOLS-id_16349347	266.363	GNNYYUFPAQKZRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035479
O=c1n2CCCn2c(c1N)NCC[N+]1(C)CCCC1	PC-id_70985666,SCHEMBL13745665	266.363	HKSGMFZQBKIWIA-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-035480
O=C(C1CSCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_99010675	266.363	FZIQKAMWARFGLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035481
O=C(Nc1sc2c(n1)CCC2)CN1CCNCC1	PC-id_54963250,MCULE-3494610651,EMOLS-id_302615038	266.363	HMCNDGIEYUADSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035482
s1c2c(nc1NC(=O)NC1CCCCC1)CNC2	PC-id_82194103	266.363	IZUZGTUGXUPSDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035483
s1c2CN(CC(=O)N3CCCCC3)Cc2nc1N	PC-id_82194274	266.363	AJRDASFZLSDSGZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035484
s1c2CN(C(=O)NC3CCCCC3)Cc2nc1N	PC-id_82194214	266.363	SZPZEARWZVBXMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035485
[Si](c1oc(OCCC=C)c2c1COC2=O)(C)(C)C	PC-id_21638371	266.365	YZPRVQRJTVXIED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035486
NC(=NCc1nnc2n1CCC2)N1CCSCC1	PC-id_111039273	266.366	ADDJGSNPSGXKDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035487
CC(c1ccc(cc1)C1CC1)n1cc2C(C)CCc2n1	EMOLS-id_331001005,MCULE-6402862513	266.381	JWUKMWMYHAWUHV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035488
CC(c1cccc(c1)C1CC1)n1cc2C(C)CCc2n1	EMOLS-id_331003296,MCULE-4259968688	266.381	MRSUBDWSEBNVNZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035489
CC(c1ccccc1C1CC1)n1cc2C(C)CCc2n1	MCULE-8380152068,EMOLS-id_331005345	266.381	ZMIRKSOBXRFAQJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035490
CCCCC1=Cc2c(C1)n(nc2C)Cc1ccccc1	SCHEMBL5998478,PC-id_69630683	266.381	OMSPGQPJGRRMJA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-035491
CC(=S)N1CCOC1=NC1CCc2c1scc2	PC-id_145533438	266.382	IUETYTHYEXBSLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035492
O(C(CC(NC(c1n2CCCc2nn1)C)C)(C)C)C	PC-id_43748023	266.382	LZEVXNIITHLWNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035493
OCC(CNC(c1n2CCCc2nn1)C)(CC)CC	PC-id_81413464	266.382	YJZWEHXHLZSBJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035494
s1c2c(CCC2)cc1C(=O)NN1CC[NH+](CC1)C	PC-id_9205059	266.382	NPJDQNJIYRDNSU-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-035495
O=C(c1csc2c1C(C)CC2(C)C)OC(C)(C)C	PC-id_106664683	266.399	DPGHEVQQLFSITN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035496
OC(c1sc2c(c1)CCC2)CCCC1CCCO1	PC-id_113662564	266.399	BWKYGZIYPVKXSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035497
c1(NC(=O)CCCCCCC)snc2CCCc12	PC-id_54774415,MCULE-6718835628	266.402	QRJLJMJFUKSGEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035498
CC1CN(C(CO1)(C)C)Cc1nc2c(s1)CCC2	PC-id_86791703,MCULE-3624740931,EMOLS-id_49939278	266.402	OCDBDEIUDUMYKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035499
CC1(C)OC(c2c1n(CC1CCC1)c(=N)s2)(C)C	SCHEMBL946034,PC-id_66852127	266.402	QBASOWULDUWGDR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035500
CC1(C)OC(c2c1sc(n2)CNCC1CC1)(C)C	PC-id_79915909,EMOLS-id_314653814	266.402	XHPKQDYQLNVDQC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035501
CCC1CCc2sc(N)c(C(=O)N(CC)CC)c12	EMOLS-id_314777862,PC-id_113483512	266.402	VZHKRHPWOUXURC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035502
CC(C1CCCCN1Cc1sc2c(n1)CCC2)O	PC-id_109974754	266.402	HXIXTUQFXBLDTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035503
CC(C1CCN(CC1)Cc1sc2c(n1)CCC2)O	PC-id_109974749	266.402	CZLGZBIMHRKORU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035504
CC(C1CCSCC1)n1nc2CCC(C)c2c1O	EMOLS-id_331008165,MCULE-1206175692	266.402	BRZMDWZZXJMLPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035505
CC(CC1CCCN1Cc1sc2c(n1)CCC2)O	PC-id_109974924	266.402	GFXKPFROIYSMAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035506
CCCCC(C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_314940977,PC-id_61208789	266.402	LXFMAVQHHPDUAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035507
CCCC(CC(=O)NCc1sc2c(c1)CCC2)N	PC-id_81975263,EMOLS-id_315715473	266.402	UASRPJNKPMRQQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035508
CC(CCCC(=O)NCc1sc2c(c1)CCC2)N	PC-id_82852017,EMOLS-id_314747992	266.402	FAZQRQHYBINKOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035509
CCC(CC)C(=O)NCCc1nc2CCCc2s1	PC-id_110461463,EMOLS-id_181140988,MCULE-8099914114	266.402	BXVNLJQQRPDCGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035510
CCCC[C@@H](C(=O)NCc1sc2c(c1)CCC2)N	PC-id_103831625	266.402	LXFMAVQHHPDUAM-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035511
CCCCC(NC(=O)c1sc2c(c1)CCC2)CN	PC-id_80698230,EMOLS-id_301392013,MCULE-8324756184	266.402	IRNCOHSMYJJRBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035512
CCCC(C(=O)NCc1sc2c(c1)CCC2)CN	EMOLS-id_315320400,PC-id_65229168	266.402	ABNFEKDJOBZAAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035513
CCC(CC(=O)NCc1sc2c(c1)CCC2)CN	PC-id_81086563,EMOLS-id_315556684	266.402	HRIFDLASVMXUBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035514
CC(CC(C(=O)NCc1sc2c(c1)CCC2)N)C	EMOLS-id_314099142,PC-id_61208594	266.402	RIAQNDQVCXIGML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035515
CCCC(C(=O)NCc1sc2c(c1)CCC2)(N)C	EMOLS-id_314519430,PC-id_61208790	266.402	HNRZMDUNLREDGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035516
CC(C[C@H](C(=O)NCc1sc2c(c1)CCC2)N)C	EMOLS-id_315984022,PC-id_113571534	266.402	RIAQNDQVCXIGML-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035517
CC(C[C@@H](C(=O)NCc1sc2c(c1)CCC2)N)C	PC-id_61208957,EMOLS-id_314099910	266.402	RIAQNDQVCXIGML-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035518
CCC(CNC(=O)c1sc2c(c1)CCC2)(CC)N	MCULE-3609804677,PC-id_81483090,EMOLS-id_301731567	266.402	KXLPHDBYTRTJCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035519
CCCCNC(=O)CNCc1sc2c(c1)CCC2	PC-id_54956064,EMOLS-id_315203505	266.402	IARVQRJLUIBDNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035520
CCC(C(=O)NCc1sc2c(c1)CCC2)(CC)N	EMOLS-id_314953444,PC-id_79813833	266.402	YTRNTISURIEKBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035521
CCC(C(=O)NCc1sc2c(c1)CCC2)(CN)C	EMOLS-id_261078782,PC-id_81945261	266.402	UWUBTYNEWXCWRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035522
CCC(NCC(=O)NCc1sc2c(c1)CCC2)C	EMOLS-id_314531005,PC-id_61208964	266.402	ADXMOCYAJLKKNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035523
CCCNC(=O)c1c(N)sc2c1C(C)CC2(C)C	PC-id_113861645	266.402	JHPWBMWRWLSPEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035524
CCC(NC(=O)c1sc2c(c1)CCC2)(CN)CC	PC-id_63887772,EMOLS-id_301386252,MCULE-2517672416	266.402	PASAMZVTHMXBPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035525
CC(CNC(=O)CNCc1sc2c(c1)CCC2)C	EMOLS-id_314099397,PC-id_61206690	266.402	VUWSISZOEMDTNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035526
CCCNC(=O)C(NCc1sc2c(c1)CCC2)C	EMOLS-id_314867668,PC-id_61206686	266.402	OSDIESURZYWYAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035527
CCC(NC(=O)CNCc1sc2c(c1)CCC2)C	PC-id_61206688,EMOLS-id_314939441	266.402	JSZFVODVWXXAGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035528
C[C@H]1CN(Cc2nc3c(s2)CCC3)C(C)(C)CO1	PC-id_97880668,ZINC22_97376889	266.402	OCDBDEIUDUMYKM-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-035529
C[C@@H]1CN(Cc2nc3c(s2)CCC3)C(C)(C)CO1	ZINC22_97376888,PC-id_97880667	266.402	OCDBDEIUDUMYKM-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035530
CCNC(c1sc2c(n1)CCC2)(C1CCOC1)C	PC-id_116176773	266.402	ODBVKDSJLIAAEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035531
CCN(CC)C(=O)c1c(N)sc2CCC(C)(C)c12	EMOLS-id_315380406,PC-id_79864290	266.402	ODTVTVMCEJAGGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035532
CCNC(CC(=O)NCc1sc2c(c1)CCC2)C	EMOLS-id_314923812,PC-id_62839066	266.402	FXPNNLHKCNCAKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035533
CC(NCCC(=O)NCc1sc2c(c1)CCC2)C	PC-id_61208788,EMOLS-id_314100678	266.402	FMDHMONPLZNSQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035534
CCNCC(C(=O)NCc1sc2c(c1)CCC2)C	PC-id_62837848,EMOLS-id_314195526	266.402	ASXMLZLQCOSTDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035535
CCNC(C(=O)NCc1sc2c(c1)CCC2)(C)C	PC-id_62834225,EMOLS-id_314908745	266.402	RQQGOBMFAFMPKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035536
CC(NC(=O)c1c(N)sc2c1C(C)CC2(C)C)C	PC-id_106662927	266.402	QQIIRAPRMIWZLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035537
CC(NC(=O)CCNCc1sc2c(c1)CCC2)C	PC-id_62625184,EMOLS-id_314604830	266.402	QKINKBVEVPMBHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035538
CCN(C(=O)CNCc1sc2c(c1)CCC2)CC	PC-id_61206874,EMOLS-id_314939697	266.402	YFWAHPXNQCCHBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035539
CC(NC(=O)C(NCc1sc2c(c1)CCC2)C)C	PC-id_61207055,EMOLS-id_314099141	266.402	JXQQPAUJTAAMHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035540
CCOCC(c1sc2c(n1)CCC2)(NC1CC1)C	PC-id_116247868	266.402	VZPWFOOMNPLFQO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035541
CN(CC1CCCC1O)Cc1sc2c(n1)CCC2	PC-id_109975418	266.402	RBAKIPRYJLKPSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035542
CN(CC1(O)CCCC1)Cc1sc2c(n1)CCC2	PC-id_109974942	266.402	LMHVOBHFKKZOJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035543
CN(C(=O)CCCNCc1sc2c(c1)CCC2)C	PC-id_61672382,EMOLS-id_315124660	266.402	KUXNXLMNXRQOFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035544
CN(C(=O)CNCc1sc2c(c1)CCC2)C(C)C	PC-id_61206879,EMOLS-id_314100165	266.402	ZNYSJCAADDSDQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035545
COC(C(c1sc2c(n1)CCC2)(NC1CC1)C)C	PC-id_116161229	266.402	ZXHRKMPYTRJTSP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035546
COCC(C(c1sc2c(n1)CCC2)NC1CC1)C	PC-id_116502444	266.402	MSIMTAOUFMBSGJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035547
NCC(C(C)(C)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_71179320,MCULE-6442931626,PC-id_121692307	266.402	INJOIPOYPMGIAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035548
NCCCCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314098886,PC-id_61208775	266.402	XDDOZVLQJMCPOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035549
NCC(C(C)C)(NC(=O)c1sc2c(c1)CCC2)C	MCULE-6540692839,EMOLS-id_301755483,PC-id_81486828	266.402	FFYCXXKHDKBSRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035550
NCCCC(C(=O)NCc1sc2c(c1)CCC2)C	EMOLS-id_314805076,PC-id_104684699	266.402	ACHJWHWYMLJAPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035551
NCC(CCC(=O)NCc1sc2c(c1)CCC2)C	EMOLS-id_314904016,PC-id_82012397	266.402	GTUCLLQFHMEEKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035552
NCC(CN(C(=O)c1sc2c(c1)CCC2)C)(C)C	PC-id_79653076,MCULE-3395590874,EMOLS-id_301369980	266.402	GAPWPFJVMRBRTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035553
NCC(C(=O)NCc1sc2c(c1)CCC2)C(C)C	PC-id_65229167,EMOLS-id_315320144	266.402	URHSQKRIHJZWNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035554
NCC(NC(=O)c1sc2c(c1)CCC2)CC(C)C	EMOLS-id_301372942,PC-id_63887137,MCULE-4575771609	266.402	RYXBTLOUKCJSOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035555
NNC(c1sc2c(c1)CCC2)CC1CCOCC1	PC-id_105298813	266.402	QCMHITWJHOVYNB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035556
NNC(c1sc2c(c1)CCC2)CCC1CCCO1	PC-id_105314272	266.402	CUOLIUUBBLXLLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035557
O1CCN(CC1)CCNCc1sc2c(c1)CCC2	PC-id_61207251,EMOLS-id_314100421	266.402	NCACVDPKPCTOIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035558
OC1(CCCCC1)CNCc1sc2c(n1)CCC2	PC-id_109948550	266.402	ZBUOQGJNNWYGSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035559
OC1CCCC(C1)CNCc1sc2c(n1)CCC2	PC-id_109948656	266.402	BZDXKNMVIYZEJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035560
OC1CCCCC1NC(c1sc2c(n1)CCC2)C	PC-id_110017277	266.402	WIKQWECJTMBGOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035561
OCC1CCCCC1NCc1sc2c(n1)CCC2	PC-id_109948620	266.402	QMWYVVSNHLGRNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035562
OCC1(C)CCCN(C1)Cc1sc2c(n1)CCC2	PC-id_109974826	266.402	OWPCUIYZOMKTEH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035563
OCC1CCC(N(C1)Cc1sc2c(n1)CCC2)C	PC-id_109975183	266.402	XKBFZYMTOOBRFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035564
OCCC1CCCCN1Cc1sc2c(n1)CCC2	PC-id_109974069	266.402	SXZBMTFPFLAOFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035565
OCCC(C1CC1)NC(c1sc2c(n1)CCC2)C	PC-id_110017302	266.402	BMKAQLAPCBJSPM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035566
O=C(C(C(C)(C)C)N)NCc1sc2c(c1)CCC2	EMOLS-id_314098118,PC-id_76895640	266.402	NMTYUAFVLFZAFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035567
O=C(CC(C(C)C)N)NCc1sc2c(c1)CCC2	EMOLS-id_315715740,PC-id_81990597	266.402	SZPOVECDPSKXHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035568
OCCCCN(C1CC1)Cc1sc2c(n1)CCC2	PC-id_109974836	266.402	LCURZNXGOINNRU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035569
O=C(CCC(N)(C)C)NCc1sc2c(c1)CCC2	PC-id_64007892,EMOLS-id_314277296	266.402	GDMFGUPWORHODG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035570
O=C([C@@H](C(C)(C)C)N)NCc1sc2c(c1)CCC2	EMOLS-id_315773392,PC-id_103929560	266.402	NMTYUAFVLFZAFS-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035571
O=C([C@H](C(C)(C)C)N)NCc1sc2c(c1)CCC2	PC-id_61208585,EMOLS-id_314097862	266.402	NMTYUAFVLFZAFS-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035572
O=C(CNC(C)(C)C)NCc1sc2c(c1)CCC2	PC-id_78986713,EMOLS-id_315124188	266.402	OMBASMWPQQZXPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035573
O=C(NC(C)(C)C)CNCc1sc2c(c1)CCC2	PC-id_61206875,EMOLS-id_314517126	266.402	OUGNDNLYTMJGCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035574
s1c2c(CCC2)cc1CNCC1OCCN(C1)C	PC-id_79171394	266.402	JTKONHIILLGZFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035575
s1c2c(CCC2)cc1CNC(=O)[C@@H](N)C(CC)C	PC-id_61208767	266.402	XXXMXXYDBDJRCH-NCWAPJAISA-N	00000010100000000000000010000000000000000000000000000000	25-01-035576
s1c2c(CCC2)cc1CNC(=O)[C@@H](N)[C@H](CC)C	PC-id_61208402	266.402	XXXMXXYDBDJRCH-ZANVPECISA-N	00000010100000000000000010000000000000000000000000000000	25-01-035577
s1c2c(CCC2)cc1CNC(=O)C(N)C(CC)C	PC-id_61208776	266.402	XXXMXXYDBDJRCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035578
s1c2c(CCC2)c(c1N)C(=O)N(CCC)CCC	PC-id_82056622	266.402	XCXQWRWSWFIDCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035579
s1c2CCCc2nc1NC(=O)C(CCCC)CC	PC-id_4303113	266.402	FEXHZBRPQNUPOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035580
s1c2CN(Cc2cc1C(=O)NC(CC)C)C(C)C	PC-id_53171251	266.402	QHGNLWVZAHMSJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035581
s1c2CN(Cc2cc1C(=O)NCC(C)C)C(C)C	PC-id_53171254	266.402	RGFDONKRLCOEFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035582
s1c2C(OC(c2nc1CC1NCCC1)(C)C)(C)C	PC-id_79915907	266.402	ZHKFSGDLMYXGAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035583
s1c(nc2c1CCC2)C(NC1CC1)(CC)COC	PC-id_64396639	266.402	DCNDILZSVDHSPW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035584
s1c(nc2c1CCC2)C(NC1CC1)(CCOC)C	PC-id_61871363	266.402	KBKLNQRTDGGNGY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035585
s1c(nc2c1CCC2)C(NCC)(C1CC1)COC	PC-id_80410900	266.402	IOOVUKWVBKKSJH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035586
s1c(nc2c1CCC2)C(NCC)C1CCCOC1	PC-id_63740430	266.402	SZFLFFLOUBBZOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035587
s1c(nc2c1CCC2)C(NCC)C1CCOCC1	PC-id_62385254	266.402	ZQKMULHBMOOYGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035588
s1c(nc2c1CCC2)C(NCC)C1OC(CC1)C	PC-id_82837186	266.402	DAWZAZUPYSCTDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035589
s1c(nc2c1CCC2)C(NC(C)C)C1CCOC1	PC-id_61334841	266.402	KGFBXFHBGSXDDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035590
s1c(nc2c1CCC2)C(NCCC)C1CCOC1	PC-id_61335389	266.402	PLYDRCFUWZCNPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035591
s1c(nc2c1CCC2)C(NCCC)C1OCCC1	PC-id_82837437	266.402	GHUXRRNIBODZBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035592
s1c(nc2c1CCC2)C(NC(C)C)C1OCCC1	PC-id_82838131	266.402	UGLMWHXKVFQWOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035593
s1c(nc2c1CCC2)C(NCCOC)(C1CC1)C	PC-id_62541929	266.402	LXSQZHBRYVHFCY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035594
s1c(nc2c1CCC2)C(NCCOC)C1CCC1	PC-id_80488212	266.402	PQUMYLXMNKCXIT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035595
S1C(C(NC(c2n3CCCc3nn2)C)CCC1)C	PC-id_79956577	266.406	XDXAEKGMBNDLAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035596
S=c1[nH]nc2n1C(C)(N=C2C(C)(C)C)C(C)(C)C	PC-id_110182270	266.406	CPQTXNAJHOANQQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-035597
O=C(c1sc2c(c1)CCC2)CC1CCSCC1	PC-id_83136762,EMOLS-id_314477910	266.422	SFMQDEZQTWTJBJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035598
CCCC(C1(O)c2ccsc2CC1(C)C)CCC	PC-id_143203213	266.442	OZSTYLSYYZJVJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035599
CCCCC(CC(c1sc2c(c1)CCC2)O)CC	PC-id_114981207	266.442	FKOQRECYTMLEDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035600
CCCCCCCCC(c1sc2c(c1)CCC2)O	PC-id_115783928	266.442	YJOQQLPRFHBQTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035601
CCC(c1sc2c(n1)CCC2)(C(C)C)NC(C)C	EMOLS-id_314066927,PC-id_61333856	266.445	SLOIKTAEVDEGFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035602
CC(CC(c1sc2c(n1)CCC2)(CC(C)C)N)C	PC-id_113644025	266.445	ZELQZJDALDNXGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035603
CCC(C(c1sc2c(n1)CCC2)NC(C)C)CC	EMOLS-id_314067183,PC-id_61334250	266.445	PZRXPGZJGWFLKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035604
CC(CC(c1sc2c(n1)CCC2)(NC(C)C)C)C	EMOLS-id_314067439,PC-id_61334445	266.445	ANLIHWKNNOIKMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035605
CCCC(c1sc2c(n1)CCC2)(NC(C)C)CC	PC-id_114079949	266.445	BENIYOSZMRAVHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035606
CCCC(c1sc2c(n1)CCC2)(NCC)CCC	PC-id_61332563,EMOLS-id_314066922	266.445	GNCQFWMVUPCCNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035607
CCCCCc1c(CCCCC)nc2n1CCS2	PC-id_67919408,SCHEMBL9747245	266.445	XKMAWHHOUFGMNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035608
CCCCC(c1sc2c(n1)CCC2)(NCC)CC	PC-id_63951257,EMOLS-id_314273906	266.445	ACSTVYOLONZMKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035609
CCCCCC(c1sc2c(n1)CCC2)NC(C)C	PC-id_61335431,EMOLS-id_314066671	266.445	JBLHWYNRXWNFIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035610
CCCCCC(c1sc2c(n1)CCC2)(NCC)C	PC-id_80558953,EMOLS-id_314946407	266.445	JLTQKKFCUNTTFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035611
CCCCCCC(c1sc2c(n1)CCC2)(NC)C	EMOLS-id_314066663,PC-id_61332739	266.445	QXZHTJGVFLATCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035612
CCCCCCCC(c1sc2c(c1)CCC2)NN	PC-id_105293531	266.445	XGGAFQZXAMKVIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035613
CCCCCCCC(c1sc2c(n1)CCC2)(N)C	EMOLS-id_314527915,PC-id_61332870	266.445	CALNVCJTZUIHPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035614
CCCNC(c1sc2c(n1)CCC2)CC(C)(C)C	EMOLS-id_314188137,PC-id_62950428	266.445	XSJAXPYAOFJDCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035615
CCCNC(c1sc2c(n1)CCC2)(CCC)CC	PC-id_114079947	266.445	MJOHFEGNXAJFCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035616
CCCNC(c1sc2c(n1)CCC2)(C(C)C)CC	PC-id_61334992,EMOLS-id_314912017	266.445	ISKOQKCEXKGPGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035617
CCCNC(c1sc2c(n1)CCC2)C(CC)CC	PC-id_61335384,EMOLS-id_315099338	266.445	QLXTYEKOXXVMHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035618
CCCNC(c1sc2c(n1)CCC2)(CC(C)C)C	PC-id_61335573,EMOLS-id_314554815	266.445	QGAJNKJCQGHDRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035619
CC(CNC(C)(C)C)NCc1sc2c(c1)CCC2	EMOLS-id_261754749,PC-id_104396930	266.445	YOOPJURDEGCDPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035620
CC(CNCCCNCc1sc2c(c1)CCC2)C	PC-id_104423925	266.445	JKOHANXTEMRVPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035621
CC(CNCCN(Cc1sc2c(c1)CCC2)C)C	PC-id_113409274,EMOLS-id_315042746	266.445	IBKSIJLLUVISSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035622
CC(NCc1sc2c(c1)CCC2)CNCC(C)C	EMOLS-id_314711515,PC-id_113407596	266.445	YOLPYXKTFFTSKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035623
CC(NC(c1sc2c(n1)CCC2)CC(C)(C)C)C	EMOLS-id_314188393,PC-id_62950983	266.445	AIYRIABBQATIHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035624
CCNC(c1sc2c(n1)CCC2)C(CC(C)C)C	PC-id_114201047	266.445	HXPANNUAZFHEGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035625
CCNC(c1sc2c(n1)CCC2)(CCC(C)C)C	PC-id_61332012,EMOLS-id_315155912	266.445	MUTAHPCJZGSYNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035626
CC(NCCCNCc1sc2c(c1)CCC2)(C)C	PC-id_104423676,EMOLS-id_315924233	266.445	SFTPWGWGICSXIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035627
CCN(CCCNCc1sc2c(c1)CCC2)CC	PC-id_104433290	266.445	MRYSWXRISBHRDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035628
CCN(CC(NCc1sc2c(c1)CCC2)C)CC	PC-id_104406859,EMOLS-id_315901703	266.445	XRSFCHBIWVTYKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035629
CN(Cc1sc2c(c1)CCC2)CCNC(C)(C)C	EMOLS-id_314731925,PC-id_113409230	266.445	MITVUEIPPJZBOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035630
s1c2CCCc2nc1C(NCC)CCCCCC	PC-id_61331836	266.445	RGKXEZBULGIJBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035631
s1c2CCCc2nc1C(NC)CCCCCCC	PC-id_61332938	266.445	HMNCIHCVFFLVEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035632
s1c2CCCc2nc1C(NCCC)CCCCC	PC-id_61335963	266.445	JWEIMBGNOYLBKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035633
s1c(nc2c1CCC2)C(NC)(CC(CC)C)CC	PC-id_61332355	266.445	BJPHJJWFGKEONS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035634
s1c(nc2c1CCC2)C(NC(C)C)(C(CC)C)C	PC-id_61333855	266.445	GHUQVAXBVFNZSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035635
s1c(nc2c1CCC2)C(NCCC)(C(CC)C)C	PC-id_61334991	266.445	NWFHZVQGWAAGDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035636
s1c(nc2c1CCC2)C(NCCC)C(CCC)C	PC-id_61966031	266.445	WBRBQLPUFUWXON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035637
s1c(nc2c1CCC2)C(NC(C)C)C(CCC)C	PC-id_61966605	266.445	GASHBAGHTJPHDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035638
S1C(Sc2sc(=S)sc12)(C)C(=O)C	PC-id_85583554	266.447	GKVNVBBXVBACBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035639
CC1(C)Cn2c(C1O[Si](C(C)(C)C)(C)C)ccn2	PC-id_140760708	266.455	VBXCRCRPEUZOJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035640
CC([Si-](OC1c2ccnn2CC1(C)C)(C)C)(C)C	PC-id_145221545	266.455	GNMGCZHBTDORML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035641
c12CN(Cc1sc(Br)c2CCl)C	MCULE-6419137517,EMOLS-id_331067176	266.586	LQAOZIZCTUYYAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035642
c12CN(Cc1sc(Cl)c2CBr)C	MCULE-9891811355,EMOLS-id_331066409	266.586	ZIZPESAXVTWLLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035643
O=C(N1CCn2c1ncc2)Nc1cnn(c1Cl)C	EMOLS-id_279113501	266.687	VRIIUFMSUFKLOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035644
CC(n1nc2CCC(C)c2c1CCl)C(F)(F)F	MCULE-3954696476,EMOLS-id_331008693	266.69	LZHDJOZOVMXOEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035645
CC(n1nc(CCl)c2C(C)CCc12)C(F)(F)F	EMOLS-id_331024651,MCULE-3012650875	266.69	CPBLEOGAFRMBHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035646
Clc1oc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_60781094	266.727	GZGHORXJGCBJNZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-035647
Clc1cccc(c1)Cn1nc2c(c1O)CSC2	EMOLS-id_261671147	266.747	OLTXWYPSISNQPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035648
Clc1ccc(cc1)Cn1nc2c(c1O)CSC2	EMOLS-id_315790468	266.747	XELGNIPETXHCGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035649
Clc1ccccc1Cn1nc2c(c1O)CSC2	EMOLS-id_315790724	266.747	DZQSFAYPLNJNJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035650
Clc1ccc(Cn2[nH]c3c(CSC3)c2=O)cc1	PC-id_83196046	266.747	OBGRJOWVGPHBIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035651
Clc1cc(Cn2[nH]c3c(CSC3)c2=O)ccc1	PC-id_83196155	266.747	XUEGAVWBUGWCAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035652
Clc1ccc(OCc2sc3CCNc3n2)cc1	PC-id_82092093	266.747	ZRAITPBIXMPAQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035653
Clc1c(Cn2[nH]c3c(CSC3)c2=O)cccc1	PC-id_83196259	266.747	SJWFEGSFXNIYQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035654
Clc1cc(OCc2sc3CCNc3n2)ccc1	PC-id_82092092	266.747	FFVHPHANCCVACR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035655
Clc1cnn(c1C(=O)c1sc2c(c1)CCC2)C	PC-id_115809367	266.747	RNEFLWXPYRPHST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035656
Clc1c(OCc2sc3CCNc3n2)cccc1	PC-id_82092091	266.747	RGOWOEQOMDMAHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035657
Cc1cc2NC(Nc3cccc(Cl)c3)Sn2n1	EMOLS-id_232961874,PC-id_136245380,MCULE-7464427757	266.75	BSMJPPLKFKTWLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035658
Cc1cc2n(n1)S[C@H](Nc1cccc(Cl)c1)N2	ZINC22_8367747	266.75	BSMJPPLKFKTWLG-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035659
Cc1cc2n(n1)S[C@@H](Nc1cccc(Cl)c1)N2	ZINC22_8367750	266.75	BSMJPPLKFKTWLG-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-035660
ClC(c1sc2c(CCC2)c1)c1ccc(F)cc1	PC-id_55197727	266.761	FYDKXGLGQXBETG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035661
Clc1n(nc2c1CSC2)CCS(=O)(=O)C	PC-id_83193295	266.768	AORWZUUQGGYKFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035662
ClCCS(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_262048758,PC-id_107651782	266.768	FYEDKVKUUMNALK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035663
CNS(=O)(=O)NC1CCc2c1cc(s2)Cl	EMOLS-id_102571960,MCULE-1837645445	266.768	GGRAPCSULAFADS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035664
CNS(=O)(=O)N[C@H]1CCc2sc(Cl)cc12	ZINC22_335165321	266.768	GGRAPCSULAFADS-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-035665
CNS(=O)(=O)N[C@@H]1CCc2sc(Cl)cc12	ZINC22_335165322	266.768	GGRAPCSULAFADS-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035666
Clc1sc2c(C(NC3C(CCC3)C#N)CC2)c1	PC-id_81251859	266.79	GEQDBLNVNUTKND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035667
Clc1sc2c(C(Nn3c(ccc3C)C)CC2)c1	PC-id_81252924	266.79	XPCUTPIEJAALTO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-035668
CC(C1CCCC1)n1nc2CCC(C)c2c1CCl	MCULE-5201773884,EMOLS-id_331006397	266.81	HWGNXVJHMJWUNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035669
CC(C1CCCCC1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330957751,MCULE-6378717791	266.81	YLYPAJCCPKNYRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035670
Brc1oc(Br)c2c1CNC2	PC-id_82625141	266.918	XVDIWIAYLYFYCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035671
[n+]12CC(Cn1cc(Br)c2)Br	MCULE-8438832640,PC-id_820482,TIMTEC54949,SPECS-id_AO-840/42718055	266.941	TVNDLESZVJJBHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035672
n12CC(Cc1c(c(C(=O)O)n2)Br)(F)F	SCHEMBL21315377,EMOLS-id_320440086,PC-id_139451519,MCULE-7036944416	267.028	KHBCGTKHQYMFLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035673
Brc1cc2c(s1)C(=O)C(C2=O)(F)F	SCHEMBL2789210,PC-id_59601137	267.047	DLVSMGADXNBUGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035674
Brc1scc2c1C(=O)C(C2=O)(F)F	PC-id_59787522,SCHEMBL77356	267.047	WZCZNJIPCRZTAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035675
ICC1CSc2nncn12	MCULE-1325737630,EMOLS-id_6771771,SCHEMBL12899084,PC-id_3292651	267.091	ROHSUBSPTSFFSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035676
IC[C@@H]1n2c(SC1)nnc2	PC-id_703089	267.091	ROHSUBSPTSFFSL-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035677
IC[C@H]1n2c(SC1)nnc2	PC-id_703091	267.091	ROHSUBSPTSFFSL-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035678
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)COC)C	PC-id_160961397	267.11	SXBCMPRSZFIKSL-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-035679
CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)[O-])C(=N1)N	PC-id_154020626	267.11	JHRDOEWUFCPXJM-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-035680
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)[O-])N	PC-id_154457911	267.11	XKTBQTCHLQPONV-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-035681
CC(C)(C)OC(=O)N1CC2=C(C1C(=O)OC)C=NN2	PC-id_164922190	267.122	HOSISVHDUSLAFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035682
CCOC(CN1C2=C(CCC2)C=C1C(=O)O)OCC	PC-id_164749573	267.147	KPDNMBJGOJWPPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035683
ClC(=O)c1sc(c2c1CSC2)C(=O)Cl	PC-id_10400756	267.152	YVQGYQLFDJYCSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035684
c12CN(Cc1c([nH]c2Cl)Cl)Cc1ccccc1	EMOLS-id_42783649,ZINC22_26461032,MCULE-3734865021,PC-id_33728076	267.154	KHUCQXIMICISHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035685
Clc1n(nc2c1CCC2)Cc1ccc(Cl)cc1	PC-id_66015501	267.154	SIHJBNQNJOIDQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035686
Clc1n(nc2c1CCC2)Cc1cc(Cl)ccc1	PC-id_66013908	267.154	WQHIPIZGKKXVDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035687
C/C=CC(=C/C)NC1=NNC=C1C/C(=C/C)/C2=CC=C	PC-id_155120178	267.174	YNFSSKCLRLIHLB-HEYSYOMWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035689
CC1=C2CCC(C2=NN1COCC[Si](C)(C)C)N	PC-id_152657044	267.177	ZISVJEDWRRMXEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035690
CC1=C2CC[C@H](C2=NN1COCC[Si](C)(C)C)N	PC-id_149510421,EMOLS-id_324286055	267.177	ZISVJEDWRRMXEG-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035691
c12CN(Cc1nn(CCF)c2CO)CC(F)(F)F	EMOLS-id_324348010,MCULE-5009200267	267.223	JTLQHOGOIRPATF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035692
CCOC(=O)S1C(=Nc2n1cnc2)C(F)(F)F	SCHEMBL20743873	267.228	BMJKSMGPIVRNFI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-035693
c1cc(c(c(c1)N)F)C(=O)c1c[nH]c2=[N+]=C(C=c12)C#N	PC-id_91562731	267.238	LQODXCXHSLVHIZ-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-035694
COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)C1OCCO1	ZINC22_1875311705	267.238	KIKVAKROUJPIMV-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035695
COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)C1OCCO1	ZINC22_1875311706	267.238	KIKVAKROUJPIMV-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035696
CNC(=O)Nc1cc2n(n1)CCN2C(=O)CC(=O)O	PC-id_46184900,SCHEMBL12307449	267.241	VHNKEHVYCHVLLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035697
O1C(CN2CCNC2=O)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5542030,PC-id_23081270	267.241	JJMSLCGCIILONA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035698
COc1noc(c1)C(=O)Nc1c2CSCc2no1	PC-id_90573990	267.261	MTGKCLMFEIBUMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035699
CC/C=C(/C1CC(c2n1nc(n2)C=O)F)C(=C/C)F	PC-id_142515048	267.275	WXNXSCOPXFLFCG-CCMAPKILSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035700
o1c2c(CN(C2)C(=O)OC(C)(C)C)c(c1C)C(=O)O	PC-id_84808054	267.278	IHBDXALRTRJPHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035701
o1c2CN(Cc2cc1CC(=O)O)C(=O)OC(C)(C)C	PC-id_84808055	267.278	IEASHJOXILLZFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035702
O/C=C/OCCOCCn1cc2c(c1)OC(=CC)O2	PC-id_141071739	267.278	RWDISKHFJOUARB-GQCTYLIASA-N	00000010100000000001000010000000000000000000000000000000	25-01-035703
OC(=O)C1c2n(CC1)cc(c2C(=O)O)CCCOC	PC-id_12795086	267.278	NWIHCOZFUDWQBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035704
Fc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	PC-id_141153508	267.279	JRLNYHMAVGLLRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035705
c12CN(Cc1nn(C(C)C)c2C(=O)OC)C(=O)OC	EMOLS-id_324343915,MCULE-4837917182	267.281	ONRYAINNECXQET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035706
c12CN(Cc1nn(C(C)C)c2C(=O)O)C(=O)OCC	MCULE-1816727261,EMOLS-id_324343144	267.281	OFESORMDHKURKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035707
c12CN(Cc1nn(CC(C)C)c2C(=O)O)C(=O)OC	MCULE-7471616314,EMOLS-id_324345191	267.281	SNBUDOLZQXHOOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035708
c12CN(Cc1nn(CC(=O)O)c2)C(=O)OC(C)(C)C	MCULE-8925625501,PC-id_84751046	267.281	YFCWNSHPICUCRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035709
c1(C(=O)O)[nH]nc2CC(NC(=O)OC(C)(C)C)Cc12	EMOLS-id_50380027,PC-id_102568802,MCULE-1934938012	267.281	ZBRBYNTZZKSBOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035710
CC1OCCC1(O)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_99614901	267.281	FKXGAHDLHSLYRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035711
CCCCC(C(=O)O)NC(=O)c1cc2n(n1)CCO2	MCULE-9774527202,EMOLS-id_316991533	267.281	VLDYJRNLLJIKKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035712
CCCC[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)O	ZINC22_863981918	267.281	VLDYJRNLLJIKKI-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035713
CCCC[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)O	ZINC22_863981919	267.281	VLDYJRNLLJIKKI-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035714
CC(C[C@H](C(=O)O)NC(=O)c1cc2n(n1)CCO2)C	MCULE-1209785549,EMOLS-id_258060134	267.281	HYXJMHNLRVKGJA-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035715
CC(C[C@@H](C(=O)O)NC(=O)c1cc2n(n1)CCO2)C	MCULE-8839474431,EMOLS-id_316991021	267.281	HYXJMHNLRVKGJA-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-035716
CC(C)(C)OC(=O)c1c(NC(=O)O)nc2CCCn12	EMOLS-id_331248159	267.281	JPXRUEMBJKEVDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035717
CC(C)(C)OC(=O)N1Cc2n[nH]cc2C1CC(=O)O	MCULE-8841456303,EMOLS-id_277373225	267.281	NGGUQGAFDWYDGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035718
CC(C)(C)OC(=O)Nc1nc2CCCn2c1C(=O)O	MCULE-2741371928,EMOLS-id_336486103	267.281	JZSKJMYZDHFPGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035719
CC(C)(C)OC(=O)N[C@@H]1Cc2n[nH]c(C(=O)O)c2C1	PC-id_99996647,ZINC22_217917527	267.281	ZBRBYNTZZKSBOO-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-035720
CC(C)(C)OC(=O)N[C@H]1Cc2n[nH]c(C(=O)O)c2C1	PC-id_99996649,ZINC22_217917581	267.281	ZBRBYNTZZKSBOO-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035721
CCN(C(=O)c1nn2c(c1)OCC2)[C@@H]1COC[C@H]1O	EMOLS-id_320284268,MCULE-4775484105	267.281	GWKGNTNFGDXLOI-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035722
Cn1cc2C(N(Cc2n1)C(=O)OC(C)(C)C)C(=O)O	MCULE-1951694020,EMOLS-id_259640387	267.281	OYYXWGDPYISTLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035723
Cn1nc2c(c1C(=O)O)CN(C(=O)OC(C)(C)C)C2	ZINC22_212479554,EMOLS-id_271395183,MCULE-5147142403,PC-id_83866757	267.281	PNZQOYQFFIKBLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035724
Cn1ncc2[C@@H](N(Cc12)C(=O)OC(C)(C)C)C(=O)O	EMOLS-id_337195632,PC-id_69314425,SCHEMBL5108774	267.281	ZDFSHRAKGOOEMY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035725
Cn1ncc2[C@H](N(Cc12)C(=O)OC(C)(C)C)C(=O)O	EMOLS-id_337804543,PC-id_69109401,SCHEMBL4598829	267.281	ZDFSHRAKGOOEMY-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-035726
Cn1ncc2C(N(Cc12)C(=O)OC(C)(C)C)C(=O)O	MCULE-5553541978,PC-id_77605088,EMOLS-id_317667735	267.281	ZDFSHRAKGOOEMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035727
Cn1ncc2CN(C(C(=O)O)c12)C(=O)OC(C)(C)C	EMOLS-id_337807344	267.281	FEPXUKMMWQBEAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035728
Cn1ncc2N(C(Cc12)C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_337806832	267.281	LYNCIEWTXMSDOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035729
Cn1nc(C(=O)O)c2CN(Cc12)C(=O)OC(C)(C)C	MCULE-8073506829,EMOLS-id_295412840,PC-id_83680006	267.281	UQQUIBHGLZBWJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035730
CO[C@@H]1CCOC[C@H]1NC(=O)c1nn2CCOc2c1	PC-id_136587602	267.281	CQQGKOAGTOMXON-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035731
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C#N	PC-id_24690144	268.334	FXWUBEUENFCRLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036278
COC(=O)c1cc2N(CCn2n1)C(=O)OC(C)(C)C	SCHEMBL169996,ZINC22_95803066,PC-id_58440917,EMOLS-id_46303940,MCULE-3035486574	267.281	LGPJXYSOSAXTID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035732
COC(=O)c1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380695,PC-id_118614423	267.281	BFNBLBNPKIUCNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035733
COC(=O)C(NC(=O)c1cnc2n1CCC2)(CO)C	EMOLS-id_316588120	267.281	MFYDMYWNAZQEPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035734
OCC1(CO)CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_319643180	267.281	MKVJFLYZUYBJQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035735
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2CC(=O)O)C1	PC-id_83866732	267.281	QQCSPLCRXHWFSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035736
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)CC(=O)O	PC-id_83949655	267.281	FCLOEQMRSZASDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035737
O=C(N1Cc2c(C1)nc(n2C)C(=O)O)OC(C)(C)C	PC-id_118614483,SCHEMBL17380758	267.281	RSYVQLNESRDTTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035738
N#CCN(C(=O)c1occ2c1CCC2)c1ccccn1	EMOLS-id_320092759,MCULE-5112561465	267.283	HPNYPJVJWMTNCS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-035739
CC1(Cn2ccnc2O1)CN1CCN(CC1)[N+](=O)[O-]	PC-id_89437386	267.284	FRJYLSWJLFQHDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035740
C[C@]1(CN2CCNCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_141088127	267.284	WHAXELKHUSHKGD-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035741
C[C@@]1(CN2CCNCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL4827602,PC-id_69206306	267.284	WHAXELKHUSHKGD-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-035742
CC1(CN2CCNCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL4827608,PC-id_23080255	267.284	WHAXELKHUSHKGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035743
O=C(N(Cc1n2CCCc2nn1)C)C(N)CC(=O)O	PC-id_64894944	267.284	ASHQBJBYKWLWQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035744
O=C(NC(c1n2CCCc2nn1)C)C(N)CC(=O)O	PC-id_64896075	267.284	BFVXOHUYYPRBFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035745
N#Cc1cccc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319653077	267.286	IBHDPNLLLGXJJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035746
N#Cc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	PC-id_25510840,ZINC22_12786713,CoCoCo_4491048,MCULE-4916900160,EMOLS-id_16797796	267.286	HYIABIPHCJUBPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035747
N#Cc1ccc(nc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317935029	267.286	IWOYNDUPEJLKNB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035748
N#Cc1cncc(c1)CNC(=O)c1cc2n(n1)CCC2	EMOLS-id_319380096	267.286	VDKNUTAGIJOUEH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035749
N#Cc1cncc(c1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_320270757,MCULE-7817863255	267.286	JHBCIKDJNJFRDX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035750
N#Cc1cncc(c1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_319578741	267.286	UQXZZGXTIQVUCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035751
N#Cc1cncc(c1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319091020	267.286	CSXXCQPOMKTANQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035752
N#Cc1cncc(c1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319845834,MCULE-9235042645	267.286	FBABTJNTUMTKOH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035753
N#Cc1nccc(c1)CNC(=O)c1cc2n(n1)CCC2	EMOLS-id_318954524	267.286	WYFNSMFYCAPYDB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035754
N#CCc1cccc(n1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_316694504	267.286	RCRCOJUMIJXRLS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-035755
n12CCCc1nnc2Cn1nc(nn1)c1ccccc1	PC-id_24052248	267.289	QROBOPVMLHRNJN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-035756
Fc1cc(C#Cc2cn3CC(C(=O)c3c2)(C)C)ccc1	PC-id_71491653	267.298	UHKNXYCFPXVLRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035757
CC1CC(CN(C1)C(=O)c1nn2CCOc2c1F)C	PC-id_91960095	267.299	KYDAMTMQRPEFMK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035758
CCOC(=O)c1c(NC(=O)C=O)sc2c1CCC2	MCULE-6379478392,EMOLS-id_2916946,PC-id_4173826,ZINC22_5447468,CoCoCo_3725047	267.301	YXOSPDQLUYPCMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035759
OC(=O)c1c(NC(=O)OCC=C)sc2CCCc12	EMOLS-id_331253011	267.301	UAQCLMMFACHLMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035760
O=C(C1NCc2c1c[nH]n2)N1CCNCC(C1)(C)F	EMOLS-id_319445335	267.303	NXGMKTCESQRHPV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035761
CC(=O)N1CC(C1)C(=O)Nc1c2CSCc2no1	PC-id_90513138	267.304	NJYTWXZCIMCVJZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035762
COC(=O)/C=C/CNC(=O)c1cn2c(n1)SCC2	ZINC22_1875333342	267.304	PBHCARHTTXMJEI-NSCUHMNNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035763
O=C1NCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_114157053	267.304	BZOJPZDUNRFAJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035764
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(=O)N	PC-id_49678288	267.304	QUXAZYQAIJLIJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035765
s1c2CCCc2nc1NC(=O)N1CC(C1)C(=O)O	PC-id_65960685	267.304	OTCVQLPUXMYOLZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035766
s1c2CCCc2nc1NC(=O)NC1(CC1)C(=O)O	PC-id_65464567	267.304	MSCBGNVLCXVQNH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035767
Cc1ncc(n1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316408587,MCULE-5251031767	267.308	QKNPNINMPABUDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035768
Cc1nn(c(c1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_319276941	267.308	IIPIMWLIMGTYQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035769
Cc1n[nH]cc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700036	267.308	XRSJMMRFNJFNJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035770
Cn1ccc(n1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316615501	267.308	VOKSLINFYRIVCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035771
Cn1cnc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318368635	267.308	PZNIRGYRBKEJIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035772
Cn1ncc(c1C)S(=O)(=O)N1CCn2c1ncc2	MCULE-8576742341,EMOLS-id_320132067	267.308	CLVKIIJMXSVZEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035773
Cn1ncc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100459547	267.308	NLRQPLJAPVXJAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035774
Cn1nccc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705007	267.308	FOPZOEVGRAYWMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035775
Cn1ncc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316654126	267.308	ANWARSYQPXMQKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035776
Cn1nc(c(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_316610108	267.308	KWFWIAIZNHCZJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035777
O=S(=O)(c1ncc[nH]1)NCc1n[nH]c2c1CCC2	PC-id_139017847	267.308	BPAOTIBZNSGMSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035778
O=S(=O)(N1Cc2c(C1)cn[nH]2)CCn1cccn1	EMOLS-id_316668197	267.308	SQIDQYMNEPRKBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035779
O=S(=O)(N1CCn2c1ncc2)CCn1cccn1	MCULE-7290945488,EMOLS-id_319991448	267.308	DTQCCKBAGIMEAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035780
CCC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_59810476,SCHEMBL13653084	267.322	WSFRRZPLVNAAJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035781
CCC(=O)C1Cn2c(C1)ccc2C(=O)c1ccccc1	SCHEMBL21089963	267.322	HGYLBCWNYKXZSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035782
CCOC(=O)c1[nH]c2c(c1)CC/C/2=C/c1ccccc1	PC-id_140535197	267.322	GVWBSIPYBBMQFG-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035783
CCOC(=O)c1[nH]c2c(c1)CC/C/2=Cc1ccccc1	SCHEMBL1004890	267.322	GVWBSIPYBBMQFG-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035784
COC(=O)c1cc2c([nH]1)CC/C/2=C/c1cccc(c1)C	SCHEMBL1002792,PC-id_66873009	267.322	USACOCAMFCGSKZ-LCYFTJDESA-N	00000010100000110000000010000000000000000000000000000000	25-01-035785
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)C	SCHEMBL1002793	267.322	USACOCAMFCGSKZ-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035786
COC(=O)c1cc2c([nH]1)CC/C/2=C/Cc1ccccc1	PC-id_67269522,SCHEMBL2076152	267.322	XMZGPSZPKKDDIK-JYRVWZFOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035787
COC(=O)c1cc2c([nH]1)CC/C/2=CCc1ccccc1	SCHEMBL2076155	267.322	XMZGPSZPKKDDIK-MDWZMJQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-035788
O(C1=C(c2n(C1)c(cc2)C)C(=O)c1ccccc1)CC	PC-id_11196422	267.322	HYONWOBUOWWWJQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-035789
O=C(c1ccc2n1CCC2CC(=O)C)c1ccccc1	PC-id_70474548,SCHEMBL10925467	267.322	DZGKDAIAUXNIAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035790
OC(=O)c1cc2c([nH]1)/C(=CCCc1ccccc1)/CC2	PC-id_67269386,SCHEMBL2075619	267.322	HWEIZOIXOLQDHA-JYRVWZFOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035791
OC(=O)c1cc2c([nH]1)C(=CCCc1ccccc1)CC2	PC-id_67269387,SCHEMBL2075620	267.322	HWEIZOIXOLQDHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035792
O(C(=O)c1[nH]c2c(CCC2=Cc2ccccc2)c1)CC	PC-id_59180133	267.322	GVWBSIPYBBMQFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035793
O(C(=O)c1[nH]c2CCC(=Cc3cc(ccc3)C)c2c1)C	PC-id_66873010	267.322	USACOCAMFCGSKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035794
O(C(=O)c1[nH]c2CCC(=CCc3ccccc3)c2c1)C	PC-id_67269523	267.322	XMZGPSZPKKDDIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035795
c12CN(Cc1nn(C(C)C)c2O)C(=O)OC(C)(C)C	MCULE-8144524537,EMOLS-id_324340841	267.324	RZIVZLSGUVZCAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035796
c12CN(Cc1nn(CC(C)C)c2CO)C(=O)OCC	EMOLS-id_324346731,MCULE-5618080248	267.324	NXGGUTPRPMIEHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035797
c1(C(=O)N(CCOC)CCOC)c2CCCc2[nH]n1	MCULE-5107912354,EMOLS-id_323257528	267.324	MSSAWPMLPFLINW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035798
CC(C)(C)C(CCNC(=O)c1nn2CCOc2c1)O	PC-id_91959807	267.324	RWKAGWORLOFABI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035799
CCCCCOC[C@H]1Cc2c(O1)n(nc2C)C(=O)N	CoCoCo_6389064	267.324	MYPPYYXKZRRTDO-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035800
CCCCCOC[C@@H]1Cc2c(O1)n(nc2C)C(=O)N	CoCoCo_6389065	267.324	MYPPYYXKZRRTDO-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-035801
CCC(C)N(C)C(=O)c1nc2CN(CCO)Cc2o1	EMOLS-id_44366492	267.324	KEHFZQNBEZCEHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035802
CC[C@H](C)N(C)C(=O)c1nc2c(o1)CN(CCO)C2	PC-id_97515429,ZINC22_96254377	267.324	KEHFZQNBEZCEHZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-035803
CC[C@@H](C)N(C)C(=O)c1nc2c(o1)CN(CCO)C2	ZINC22_96254376,PC-id_97515428	267.324	KEHFZQNBEZCEHZ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035804
CCOc1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380697,PC-id_118614425	267.324	WLAGROWTTHBMJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035805
COCC(NC(=O)c1n[nH]c2c1CCC2)(CCO)C	PC-id_110002801	267.324	OSXHUOVNYSDHBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035806
o1c2CN(Cc2nc1CCCN)C(=O)OC(C)(C)C	PC-id_83949369	267.324	GKNAABLNOAHPGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035807
o1c2CN(Cc2nc1C(N)CC)C(=O)OC(C)(C)C	PC-id_83949365	267.324	BTVMOYANQWHHGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035808
o1c2CN(Cc2nc1CNCC)C(=O)OC(C)(C)C	PC-id_83949377	267.324	NAMWJHOKALXYDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035809
O1C(Cc2c1n(nc2C)C(=O)N)COCCCCC	PC-id_45146668	267.324	MYPPYYXKZRRTDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035810
O1C(CCCCCCC)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_460738	267.324	JXCLKRBKNMVJIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035811
O=C(N1Cc2c(C1)c(=O)[nH]n2C(C)C)OC(C)(C)C	PC-id_105516576	267.324	OYRVWCLTMBNELB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035812
O=C(N1Cc2c(C1)c(=O)n([nH]2)C(C)C)OC(C)(C)C	PC-id_105516580	267.324	HRMIFPPWEPQFLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035813
O=C(OC(C)(C)C)NC(c1nc2c([nH]1)COC2C)C	PC-id_102970345	267.324	VQFNNUKCSFSCAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035814
O=C(OC(C)(C)C)NCCc1nc2c([nH]1)COC2C	PC-id_102970384	267.324	CGHWQFWRSONUNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035815
O=C(OC(C)(C)C)N[C@@H](c1nc2c([nH]1)COC2C)C	PC-id_102970380	267.324	VQFNNUKCSFSCAD-GVHYBUMESA-N	00000010100000000001000010000000000000000000000000000000	25-01-035816
O=C(OC(C)(C)C)N[C@H](c1nc2c([nH]1)COC2C)C	PC-id_102970399	267.324	VQFNNUKCSFSCAD-JAMMHHFISA-N	00000010100000000001000010000000000000000000000000000000	25-01-035817
C=CC(c1ccccc1)C(=O)NC1CCn2c1ncc2	EMOLS-id_319684333	267.326	WNHPZHKDNLSESV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035818
C=CC(C(=O)N1Cc2c(C1)cnn2C)c1ccccc1	EMOLS-id_319105465	267.326	WEIPBIFKCYHJMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035819
Cn1nc2c(c1NC(=O)/C=C/c1ccccc1)CCC2	CoCoCo_5272991,PC-id_30859089,EMOLS-id_45809225,ZINC22_23135648	267.326	WUYWAHXUEJGOHA-ZHACJKMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035820
COc1ccccc1Cn1nc2CCC(C)c2c1C#N	MCULE-8135299607,EMOLS-id_331001023	267.326	RXPZKRLALIBFKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035821
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C#N	PC-id_24691092	268.334	PTLSCXCVPGQPST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036279
COc1ccccc1Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331020277,MCULE-9416951936	267.326	FZVFMDPKUDJIQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035822
COc1cccc(Cn2nc3CCC(C)c3c2C#N)c1	EMOLS-id_330997950,MCULE-4515117053	267.326	LSXLSOOSEYDIGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035823
COc1cccc(Cn2nc(C#N)c3C(C)CCc23)c1	MCULE-7493420456,EMOLS-id_331021299	267.326	YAGZFGRFOOFQTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035824
COc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1	EMOLS-id_331000507,MCULE-9608850203	267.326	ZNNAPYVVVBFTCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035825
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1	EMOLS-id_331019761,MCULE-4133796218	267.326	NQVGLYWYISABHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035826
O=C(c1cc2n(n1)CCC2)Nc1cccc(c1)C1CC1	MCULE-8537704315,EMOLS-id_319892096	267.326	BSLAMIHHDNBRDI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035827
O=C(c1n[nH]c2c1CCC2)Nc1cccc(c1)C1CC1	EMOLS-id_319481906	267.326	YIMHFRAPVDJDCP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035828
O=C(NC1(c2ccccc2)CC1)c1n[nH]c2c1CCC2	ZINC22_95397023,MCULE-6978235048,EMOLS-id_316818740,PC-id_84583491	267.326	CLMKNCCRFOEXAJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035829
O=C(Nc1n(C)nc2c1CCC2)/C=Cc1ccccc1	CoCoCo_5272992	267.326	WUYWAHXUEJGOHA-KHPPLWFESA-N	00000010100000110001000010000000000000000000000000000000	25-01-035830
O=C(Nc1n(C)nc2c1CCC2)C=Cc1ccccc1	MCULE-1386036809,PC-id_71961363	267.326	WUYWAHXUEJGOHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035831
O=C(Nc1n[nH]c2c1CCC2)C1C(C1)c1ccccc1	PC-id_9813984	267.326	NCYGKBPIWIOSPG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035832
CNc1n[nH]c2c1CN(C2(C)C)C(=O)NCC(O)C	SCHEMBL19312210	267.327	ZUBWADCIRZEGHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035833
COC(CC(=O)NC(c1nnc2n1CCC2)C)CN	PC-id_103154477	267.327	YOIAZAXZSNGDSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035834
COC(CC(=O)N(Cc1nnc2n1CCC2)C)CN	PC-id_103155216	267.327	PNSCEYKRIXVWEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035835
OCC(NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC)C	SCHEMBL19312247	267.327	RWDVQHVVPOAAQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035836
O=C(NC(c1n2CCCc2nn1)C)C(N)CCOC	PC-id_55080576	267.327	SSLRJUWHODADGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035837
O=C(N(Cc1n2CCCc2nn1)C)C(N)CCOC	PC-id_55081018	267.327	SPGILORCMDDROU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035838
O=C(N(Cc1n2CCCc2nn1)C)CNCCOC	PC-id_79282390	267.327	QFBDNPCMXUWUKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035839
O=C(NC(c1n2CCCc2nn1)C)CNCCOC	PC-id_79282483	267.327	FPWRWKUOVJMBKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035840
n12CCCc1nnc2C(NCc1cc(ccc1)C#N)C	PC-id_43433193	267.329	HQTIZPMNKSHBFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035841
n12CCCc1nnc2C(NCc1ccc(cc1)C#N)C	PC-id_43748096	267.329	FBHJYEFTKXOMOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035842
N#Cc1ccccc1CNC(c1nnc2n1CCC2)C	PC-id_103851206	267.329	WJRJBMMFXYWFNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-035843
Nc1nnc(s1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315098514,PC-id_80616949	267.331	YRGORERCAVLGBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035844
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)O	EMOLS-id_314108672,MCULE-2153644075,PC-id_28860193	267.344	XPJLPEORLMINPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035845
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)OC	CK1487953,EMOLS-id_603081,PC-id_2789288,MCULE-3671138475,ZINC22_4038594,TIMTEC365896,BAS-01292310,CoCoCo_187550,SPECS-id_AT-225/JK19479	267.344	OTXNTMMESXURCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035846
c1(NC(=O)CCC)sc2c(CCC2)c1C(=O)OC	SPECS-id_AT-225/JK19510,BAS-01292309,SPECS-id_AF-399/13428267,CoCoCo_187549,EMOLS-id_604033,ZINC22_4038593,PC-id_2789287,MCULE-3200758487	267.344	QLLSJQBHQUBJRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035847
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)OCC	BAS-00570335,PC-id_2787600,EMOLS-id_642088,ZINC22_3960823,CoCoCo_96715,MCULE-4816194130	267.344	GYOJLJIBVWSOER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035848
CC(C)C1Cc2c(C1)sc(c2)CC(=NO)C(=O)O	SCHEMBL11530056,PC-id_88794164	267.344	JIUZATCSRMGIRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035849
CC(C)(C)C(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_2861791,MCULE-9085889379,PC-id_3764936,CoCoCo_3705065,ZINC22_3887812	267.344	KKNJRZRZFPXFTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035850
CC(C)CC(=O)Nc1sc2c(c1C(=O)O)CCC2	ZINC22_3888079,PC-id_3603774,MCULE-1527887735,CoCoCo_3804283,EMOLS-id_2862773	267.344	BEGPYKGGTXNTLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035851
CCCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	MCULE-1186499573,EMOLS-id_51131259,PC-id_43630338	267.344	FDGHASJIPZRJEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035852
CCC[C@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_107563501	267.344	FDGHASJIPZRJEL-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035853
CCC[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_107564536	267.344	FDGHASJIPZRJEL-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-035854
CCC(C(=O)Nc1sc2c(c1C(=O)O)CCC2)C	EMOLS-id_314882721,PC-id_43328021	267.344	GVGQIVSKQJVQAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035855
CCC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_65218174,EMOLS-id_314944283	267.344	BIJORLOCSUVAMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035856
CCC(C(=O)O)(NC(=O)c1sc2c(c1)CCC2)C	MCULE-9110853819,EMOLS-id_71167170,PC-id_79793019	267.344	XAYIDLHIYMFDCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035857
CCCN(C(=O)c1sc2c(c1)CCC2)CC(=O)O	EMOLS-id_51270378,PC-id_61012067,MCULE-5017111370	267.344	TZXYAYCGVNCSES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035858
CC(C(NC(=O)c1sc2c(c1)CCC2)C)C(=O)O	PC-id_113415867,EMOLS-id_71182453,MCULE-1353301890	267.344	IKQKCTYBCSJJOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035859
CCC(N(C(=O)c1sc2c(c1)CCC2)C)C(=O)O	PC-id_61817174,EMOLS-id_314117990	267.344	KPEQFKQFXOWXBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035860
CCC(NC(=O)c1sc2c(c1)CCC2)CC(=O)O	PC-id_81968139,EMOLS-id_314724722	267.344	IZRSOSCLNHNRMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035861
CC(C(=O)O)CCNC(=O)c1sc2c(c1)CCC2	PC-id_80539158,EMOLS-id_314648941	267.344	PYBOHFGMSGCCAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035862
CC(C(=O)O)CN(C(=O)c1sc2c(c1)CCC2)C	MCULE-3001642902,PC-id_55008377,EMOLS-id_51362083	267.344	KZZDSOHJMKLDDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035863
CCN(C(=O)c1sc2c(c1)CCC2)CCC(=O)O	PC-id_54899120,MCULE-8075117367,EMOLS-id_51272618	267.344	XNEADHJNANZWRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035864
CC(NC(=O)c1sc2c(c1)CCC2)CCC(=O)O	PC-id_64111590,MCULE-2901990258,EMOLS-id_57000283	267.344	JVXNAKIKPICZMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035865
CCOC(c1nc2c(s1)CCC2C(=O)O)C1CC1	PC-id_116705350	267.344	JAXSGZYPYQHLDY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035866
CCOCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16356256,PC-id_117787868	267.344	BEVSTYNYEYGCKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035867
CCOC(=O)c1c(N)sc2c1C(CC2)CC(=O)C	PC-id_89788550,SCHEMBL15236772	267.344	YBQOWBXLGWXPPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035868
CCOC(=O)CCNC(=O)c1sc2c(c1)CCC2	PC-id_61806845,EMOLS-id_314917652	267.344	NKPHUWFWRFNAAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035869
CCOC(=O)C(NC(=O)c1sc2c(c1)CCC2)C	PC-id_61342567,EMOLS-id_314081275	267.344	UYHGPJSNKWZRQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035870
COC(=O)c1sc2c(c1)CN(C2)C(=O)C(C)(C)C	SCHEMBL1173935,PC-id_58157754	267.344	JVSVBFXXUBPPJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035871
COC(=O)C(C)(C)NC(=O)c1cc2c(s1)CCC2	ZINC22_58418901,EMOLS-id_33304733,MCULE-3995042396,PC-id_51078042	267.344	AECLGEGBLKKJHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035872
COC(=O)CC(NC(=O)c1sc2c(c1)CCC2)C	PC-id_122177084	267.344	PXOPDTQALZVVJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035873
O=C(c1c(N)sc2c1C(C)OC2)C1CCOCC1	SCHEMBL2162082,PC-id_67300631	267.344	GFQTYMZLOHFFGC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035874
OCC1COCCN1C(=O)c1sc2c(c1)CCC2	PC-id_113520680	267.344	JRAWXHIPXOTCRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035875
OCC1(O)CCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_317938871	267.344	YZOQCFCYMQMARB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035876
O=C(c1sc2c(c1)CCC2)NCC1OCCOC1	MCULE-2892342327,PC-id_47312961,EMOLS-id_44498986	267.344	MLDUVBNVEKZDEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035877
O=C(c1sc2c(c1)CCC2)NCC1(O)CCOC1	PC-id_103849416	267.344	UZCGIQGBGBVYFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035878
O=C(c1sc2c(c1)CCC2)NCC(C(=O)O)(C)C	EMOLS-id_52290769,MCULE-7544982467,PC-id_81369678	267.344	CZAZNHLCTMYVTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035879
O=C(c1sc2c(c1)CCC2)NC(C(=O)O)C(C)C	MCULE-4485448313,PC-id_20114129,EMOLS-id_50916085	267.344	AKAVPNISCPTXIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035880
O=C(c1sc2c(c1)CCC2)N[C@@H](C(=O)O)C(C)C	MCULE-5971805101,EMOLS-id_51871668,PC-id_28117780	267.344	AKAVPNISCPTXIZ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035881
O=C(c1sc2c(c1)CCC2)N[C@H](C(=O)O)C(C)C	PC-id_28117782,EMOLS-id_51296227,MCULE-4006207011	267.344	AKAVPNISCPTXIZ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-035882
OC[C@@H]1COCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_319550532	267.344	JRAWXHIPXOTCRB-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035883
O[C@@H]1C[C@@H](C[C@@H]1O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318907795	267.344	OGZSGOZMACNNCK-ILWJIGKKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035884
O[C@@H]1C[C@H](C[C@@H]1O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319785754	267.344	OGZSGOZMACNNCK-OWUUHHOZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035885
O=C(NCc1sc2c(c1)CCC2)CCCC(=O)O	EMOLS-id_314556770,PC-id_61206667	267.344	VMRLBNQCXBPGCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035886
O=C(NC[C@@H]1COCCO1)c1cc2c(s1)CCC2	ZINC22_48809146	267.344	MLDUVBNVEKZDEU-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035887
O=C(NC[C@H]1COCCO1)c1cc2c(s1)CCC2	ZINC22_48809148	267.344	MLDUVBNVEKZDEU-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-035888
O=C(N(C(C(=O)O)(C)C)C)c1sc2c(c1)CCC2	PC-id_62817195,EMOLS-id_71153759	267.344	HJVYOCVLLXVBDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035889
OC(=O)C1CCc2c1nc(s2)CC1CCCCO1	PC-id_104287393	267.344	JRLCMTPGHPDHLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035890
OC(=O)CCCCNC(=O)c1sc2c(c1)CCC2	MCULE-7585481531,EMOLS-id_51479884,PC-id_62031929	267.344	XDHGFLNQURQEHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035891
OC(=O)CC(CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_51997082,PC-id_81064656,MCULE-1975007262	267.344	HJPQVRRRKZEEIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035892
OC(=O)CCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_43090122,MCULE-9025290594,EMOLS-id_50928535	267.344	OPNIMFGFMGONHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035893
OC(=O)CC(NC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_64670917,EMOLS-id_315119547	267.344	XUUDFLAKWZQPKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035894
OC(=O)CN(C(=O)c1sc2c(c1)CCC2)C(C)C	PC-id_60830326,EMOLS-id_51192242	267.344	FOAZMYGECWQGKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035895
s1c2c(CCC2)cc1C(=O)N1CC(OCC1)CO	PC-id_81208994	267.344	BCGMJLQMYZUXKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035896
s1c2CCCc2cc1C(=O)N(CC)CC(=O)OC	PC-id_54979490	267.344	UGYSZZKREDCHIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035897
s1c2CCCc2cc1C(=O)N(CCC(=O)OC)C	PC-id_54978991	267.344	PDSXVAMYWVZMNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035898
s1c2CCCc2cc1C(=O)N(CC(=O)OCC)C	PC-id_55003287	267.344	BYQAMHUNIPNAGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035899
s1c2CCCc2cc1C(=O)OCC(=O)NC(C)C	PC-id_7291855	267.344	NVVLHTDEQRKZLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035900
s1c2CCCc2cc1C(=O)OCC(=O)NCCC	PC-id_7291865	267.344	LVIRSABTNKWZNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035901
s1c2CCCc2cc1C(=O)OC(C(=O)NCC)C	PC-id_78635595	267.344	SNYYENSKUWCHEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035902
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCC)C	PC-id_8218853	267.344	SNYYENSKUWCHEI-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035903
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCC)C	PC-id_8218854	267.344	SNYYENSKUWCHEI-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035904
s1c2c(CCC2)cc1N(C(C(C)C)C(=O)O)C=O	PC-id_20848167	267.344	GVZHKXIDJSIASI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035905
s1c2CN(Cc2cc1C(=O)C)C(=O)OC(C)(C)C	PC-id_82379615	267.344	OTJMSGZVKGBTRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035906
s1c2CN(Cc2cc1C(=O)CO)C(=O)C(C)(C)C	PC-id_58157750	267.344	DGDXOTDWCOMHII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035907
s1c(c2CN(Cc2c1)C(=O)OC(C)(C)C)C(=O)C	PC-id_82379616	267.344	CCCIQVHSVKPOMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035908
s1c2CCCc2cc1C(=O)C(c1ccccc1)C#N	PC-id_43333811	267.346	IAINRQYIKMYWOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035909
S1(=O)(=O)C(Cc2scc(S(=O)(=O)N)c12)C	PC-id_54314750	267.346	SNJUAFOWVBSGPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035911
c12SCCn1cc(CNC(=O)C1CCCCO1)n2	MCULE-8789706816,PC-id_74239665,EMOLS-id_49658422	267.347	CGXFEZCSHFPKDZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035912
c1(NC(=O)NC(C)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_15304038,MCULE-9535095785,PC-id_27261413,SCHEMBL8289710,ZINC22_16650020,CoCoCo_1103458	267.347	XMVUUJYOVPCLHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035913
c1(NC(=O)NCCC)sc2c(CCC2)c1C(=O)N	PC-id_19169969,MCULE-7385019862	267.347	QQFJQIHREBHJKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035914
CC1=CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100924464	267.347	GFSAQVFKVRAODS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-035915
C=C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184814	267.347	ZWSKLBPDUJZILX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035916
CC1=CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238368	267.347	LBBWYXRZCLZANN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-035917
CC1CCSCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_102730495	267.347	WLAMSJIKRQEJHT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035918
CC1CSCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102381060	267.347	MJOMIJUQNANRRC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035919
CC1SC(C)CN(C1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_102483878	267.347	FBYLMZDJUIKRBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035920
CC1SCCN(C1C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102677891	267.347	LEQBMPFNEHOIIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035921
CC1SCCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_102545765	267.347	DNPCHMLDXGYQPB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-035922
CC=CC(C(=O)NCCc1cn2c(n1)SCC2)O	EMOLS-id_278779205	267.347	ATTCZLVAEYNKTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035923
CCCC(=O)NCC(=O)Nc1nc2c(s1)CCC2	EMOLS-id_33305015,PC-id_47172900,ZINC22_47436991,MCULE-7507720619	267.347	BBVKLLCQTQKDPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035924
CC(=O)c1c(NCC2COCC2)nc2n1CCS2	PC-id_139835818	267.347	MYEUHDKYZSRQKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035925
CN1CCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288321	267.347	UJFQAXGQCYWLSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035926
NCC(=O)NCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314565525,PC-id_61208768	267.347	JUSYHQYUPODTKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035927
NC(=O)CC(C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_314098374,PC-id_61208769	267.347	VJXXZTBRIFIUEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035928
NC(=O)NC(=O)C(NCc1sc2c(c1)CCC2)C	PC-id_61206687,EMOLS-id_315064451	267.347	FVNQKXVHUZJBKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035929
O=C(C1(C)COC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99836455	267.347	PVHFKTUXTMJVFD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035930
O=C(C1COCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99814834	267.347	FUINBKGSRAVUQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035931
O=C(C1(N)CCOCC1)Nc1sc2c(n1)CCC2	EMOLS-id_259840317,PC-id_113280719	267.347	AXSSRTCUORKSFY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035932
O=C(c1nn2c(c1)OCC2)N1CCSC(C1)(C)C	EMOLS-id_102572983	267.347	BQZOZCUJFLXMEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035933
O=C(c1nn2c(c1)OCC2)NCC1CCCCS1	EMOLS-id_99598410	267.347	ZANBMEZXCREOIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035934
O=C(c1n[nH]c2c1CCC2)NCC1(O)CSCC1	PC-id_111597288	267.347	ZANONVVWKHVUQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035935
O[C@H]1CCN(C1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111333960	267.347	QYXHMOYJEVVERH-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035936
O=C(N1CCOCC1)Cc1[nH]c(=S)n2c1CCC2	SCHEMBL21136640,PC-id_139294138	267.347	PTQCFOAGWPEIQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035937
O=C(Nc1onc2c1CSC2)NC1CCCCC1	PC-id_49719369,GD-id_ZINC44450098	267.347	NKMJIVXPUKXXFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035938
O=C(Nc1sc2c(n1)CCC2)CN1CCOCC1	EMOLS-id_97933427	267.347	QLQMYCVJKBEBJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035939
O=C(Nc1sc2c(n1)CCC2)COC1(C)CNC1	PC-id_102610983	267.347	IQQHLLWMZPDWQJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-035940
O=C(NCc1cn2c(n1)SCC2)[C@@H]1CCCCO1	PC-id_97911568,ZINC22_97572128	267.347	CGXFEZCSHFPKDZ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-035941
O=C(NCc1cn2c(n1)SCC2)[C@H]1CCCCO1	PC-id_97911569,ZINC22_97572129	267.347	CGXFEZCSHFPKDZ-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035942
OC(=O)C1CCc2c1nc(s2)NN1CCCCC1	PC-id_104289211	267.347	JHBRAIUFDYNYGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035943
O(C(=O)N1[C@H](c2[nH][nH+]c(N)c2C1)C(C)C)C(C)(C)C	PC-id_52324531	267.347	BGXWEOOVPZIQDT-JTQLQIEISA-O	00000010100000000001000010000000000000000000000000000000	25-01-035944
ON=C(CCCNC(=O)c1sc2c(c1)CCC2)N	PC-id_62667900,EMOLS-id_314565579	267.347	UPMRTBDCEMWMSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035945
ON=C(CC(NC(=O)c1sc2c(c1)CCC2)C)N	EMOLS-id_314164625,PC-id_62093504	267.347	TYVCMXVUKIFRJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035946
ON=C(C(CNC(=O)c1sc2c(c1)CCC2)C)N	EMOLS-id_315263759,PC-id_55102479	267.347	SIOWIQIPSADGNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035947
ON=C(C(NC(=O)c1sc2c(c1)CCC2)CC)N	EMOLS-id_315150236,PC-id_61135873	267.347	VSEHWQMBUIXJHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035948
ON=C(C(NC(=O)c1sc2c(c1)CCC2)(C)C)N	PC-id_61133720,EMOLS-id_314088381	267.347	HVXJZOKFHUFJLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035949
O=S(=O)(C1C2C1CCCC2)N1Cc2c(C1)cn[nH]2	EMOLS-id_319810338	267.347	IEAHQMDKZYHHHU-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-035950
O=S(=O)(c1cnc2n1CCC2)NC1CC2C(C1)C2	EMOLS-id_102230988	267.347	SMZQBVPMCLBCKW-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-035951
O=S(=O)(c1cnc2n1CCC2)NC1CCC=CC1	EMOLS-id_100184748	267.347	DHMVRVZAPUDELG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-035952
O=S(=O)(N1CCn2c1ncc2)C1CC2C1CCC2	EMOLS-id_319322867	267.347	RSSTVPDLHFZZEG-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-035953
s1c2CCCc2cc1C(=O)N(CC)C/C(=N/O)/N	PC-id_61901709	267.347	HBCOPWFCBIZVPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035954
s1c2CCCc2cc1C(=O)N(CCC(=NO)N)C	PC-id_61134248	267.347	PHOIILVNZGRPPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035955
s1c2CCCc2cc1C(=O)N(C(C)/C(=N/O)/N)C	PC-id_61886607	267.347	HDNZFSVPHNUTIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035956
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NCCN	PC-id_39162831	267.347	VWOMYLZXKHMYDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035957
s1c2CCCc2nc1NC(=O)C1C(NC)COC1	PC-id_66266241	267.347	FDIJYOQQJVHQDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035958
s1c2CCCc2nc1NC(=O)C1(C(N)COC1)C	PC-id_66264020	267.347	CQCIGPQJPJODTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035959
s1c2CCCc2nc1NC(=O)C1NCC(OC)C1	PC-id_54963848	267.347	CGRIDXHTVBPMLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035960
s1c2CCCc2nc1NC(=O)C1OC(CC1)CN	PC-id_80009497	267.347	IRNCYXPPUJJUQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035961
s1c2CCCc2nc1NC(=O)CC1NCCOC1	PC-id_80422073	267.347	XULNYLGSBLFFME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035962
s1c2CCCc2nc1NC(=O)CC1OCCNC1	PC-id_66426395	267.347	LFBKBGUXDYFUKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035963
N#C/C(=C(c1sc2c(c1)CCC2)/N)/c1cccnc1	PC-id_104012765	267.349	WNNMQJFNPWQXCM-QINSGFPZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-035964
N#C/C(=C(c1sc2c(c1)CCC2)/N)/c1ccncc1	PC-id_104012933	267.349	IWIUCRICFQOLRO-QINSGFPZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-035965
s1c2CCCc2c(c1/N=C/Nc1ccccc1)C#N	PC-id_10849447	267.349	DLFZDBMTKKTTIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035966
S1CCn2c1nc(c2/C=N/NC(=O)CN(C)C)C	PC-id_13758225	267.351	TWDLXBUGHULYLQ-WUXMJOGZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035967
S1CCn2c1nc(c2C=NNC(=O)CN(C)C)C	PC-id_73187167	267.351	TWDLXBUGHULYLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035968
S1CC(NC1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_43698150	267.351	OMTOUYXFAYUWIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035969
S1CC(NC1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_54872913	267.351	OBULQTDMFMYHGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035970
O=C(N1CCCC(C1)(C)F)c1sc2c(c1)CCC2	EMOLS-id_102798830	267.362	MKJFGUIQIGTMPQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-035971
CC(C1CCn2c1cc(c2C(=O)c1ccccc1)C)C	SCHEMBL14598840,PC-id_58793709	267.365	QTAUPEQYRWWWCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035972
CCC(C1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_142844644	267.365	BGWBVUBXFHLHMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035973
CC(C)(CC1CCc2c1cc([nH]2)C=O)c1ccccc1	PC-id_88969599,SCHEMBL12844781	267.365	ONSHUKMGFVLYPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035974
CC[C@H](C1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_141824647	267.365	BGWBVUBXFHLHMB-AFYYWNPRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-035975
C/C=C(/C1C(C)Sc2n1c(CN)cn2)C=C(F)/C	PC-id_142091464	267.366	FBXRSXWXLIFXHC-TVXUUACXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035976
CCOC(=O)c1c(NC=[N+](C)C)sc2c1CCC2	PC-id_3501201,GD-id_ZINC19882703	267.367	AEZXGOOZIUWETC-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-035977
c12CN(Cc1nn(CC1CCC1)c2)Cc1ccccc1	MCULE-9904649754,EMOLS-id_324341602	267.369	IZGFXTPTOWHAEM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-035978
c1ccc(cc1)CC1CC1NCc1cnn2c1CCC2	PC-id_139020429	267.369	QORZJUMVIOHRAH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-035979
C1C[C@H]([C@H](C1)c1ccccc1)NC1CCn2c1ncc2	EMOLS-id_320110893,MCULE-4627224585	267.369	LIVPQXCZPJXUSG-YGFGXBMJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-035980
CC1(CC(C1)NC1CCn2c1ncc2)c1ccccc1	MCULE-7214170675,EMOLS-id_318264686	267.369	ZQVMSCWRLVTYIC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-035981
CC1CCc2c1c(N)nn2Cc1ccccc1C1CC1	EMOLS-id_330961659,MCULE-6723483119	267.369	HBUGSZYMYUPVDN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035982
CC1CCc2c1c(N)nn2Cc1cccc(c1)C1CC1	EMOLS-id_330964987,MCULE-8516218241	267.369	GOJIFMPJHAHUFN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035983
CC1CCc2nn(Cc3ccccc3C3CC3)c(N)c12	MCULE-7021651900,EMOLS-id_331010728	267.369	QVHPZSXRQQCZAW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035984
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(N)c12	MCULE-9861799797,EMOLS-id_331014056	267.369	QLORUZFCXXMRNF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-035985
NC(=S)C1(CC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_80589638,EMOLS-id_261590001	267.37	CJRVWIJKFTUSGK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-035986
COCC(NC(c1nnc2n1CCC2)C)CCCN	PC-id_103388985	267.371	URXGHWSTMBKWFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-035987
CC1(C)OCC(CO1)NCc1sc2c(c1)CCC2	PC-id_106658680	267.387	OBPCMZHVJKJLJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-035988
CCC1CCc2c1c(C(=O)OC(C)(C)C)c(s2)N	PC-id_116176056	267.387	BAGWSCDJFAQXLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035989
CCC1CCc2c1c(cs2)NC(=O)OC(C)(C)C	PC-id_114749406,EMOLS-id_107559231	267.387	HNAPDGPAQZGAHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035990
CCCCC(C(=O)O)NCc1sc2c(c1)CCC2	PC-id_103242948	267.387	NIXUGKYPQGINEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035991
CCCC(C)NC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956585	267.387	HJADHLIEUGESIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035992
CC(CC(CNC(=O)c1sc2c(c1)CCC2)C)O	PC-id_111447520	267.387	LAWSAKUUIQBXDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035993
CCCC(CNC(=O)c1sc2c(c1)CCC2)(O)C	PC-id_103713096	267.387	BHPFIAJDPSXRPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035994
CC(CC(CNC(=O)c1sc2c(c1)CCC2)O)C	PC-id_103770878	267.387	SXYGECUJLIAEJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035995
CCCCN(C(=O)c1sc2c(c1)CCC2)CCO	EMOLS-id_314057975,PC-id_60742475	267.387	JKZDUAQXQXDXQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035996
CCC(CNC(=O)c1sc2c(c1)CCC2)(CC)O	EMOLS-id_314590396,PC-id_65112661	267.387	GBZSOFJEFUCVHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035997
CC(C)(C)OC(=O)c1c(N)sc2CCC(C)(C)c12	MCULE-2960634241,EMOLS-id_315703367,PC-id_81824611	267.387	CPIQROFDCPECBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035998
CCCCOC(=O)CNCc1sc2c(c1)CCC2	PC-id_61207423,EMOLS-id_314098629	267.387	MITAMWIXLVJSAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-035999
CCC(NC(=O)c1sc2c(c1)CCC2)(CO)CC	EMOLS-id_314164726,PC-id_55082536	267.387	WFKLGHOPLDYQSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036000
CC(C(=O)c1c(N)sc2c1C(C)(C)OC2(C)C)C	PC-id_79915899,EMOLS-id_314366921	267.387	QUYAVIBZVMSNQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036001
CCN(C(=O)c1sc2c(c1)CCC2)CC(O)(C)C	PC-id_79387652,EMOLS-id_315406955	267.387	DYJLCNWMAGDHNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036002
CCOC(=O)C1CCc2c1nc(s2)CCC(C)C	PC-id_104287139	267.387	XLMPXBWZMULAIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036003
CCOC(=O)C1CCc2c1nc(s2)CC(C)(C)C	PC-id_104287145	267.387	UHLNZJGJSMKHGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036004
CCOC(=O)C1CCc2c1nc(s2)C(CC)CC	PC-id_113395574	267.387	AYHHSTCCDIPAIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036005
CC(OC(=O)c1c(N)sc2c1C(C)CC2(C)C)C	PC-id_106662934	267.387	GZKPPGNNNYSMIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036006
CCOC(=O)C(CNCc1sc2c(c1)CCC2)C	EMOLS-id_314166094,PC-id_61716111	267.387	RZQXBDDIVHQCKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036007
CCOC(=O)CC(NCc1sc2c(c1)CCC2)C	PC-id_61715783,EMOLS-id_314518261	267.387	KXBGQAOEVCTADF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036008
CCOC(=O)C(NCc1sc2c(c1)CCC2)CC	PC-id_64667778,EMOLS-id_314612135	267.387	UHVPZHIWFSTKHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036009
CN(C(=O)OC(C)(C)C)CC1CCc2c1ccs2	PC-id_67256913,SCHEMBL2037680	267.387	SDLGTESLGIAYGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036010
COC(=O)C(CNCc1sc2c(c1)CCC2)(C)C	PC-id_79624052,EMOLS-id_314699027	267.387	UCUNFUKJWHBEHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036011
O=C(c1sc2c(c1)CCC2)NCC(C(C)C)(O)C	PC-id_111486478	267.387	SIBQKXMURMKVNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036012
O=C(c1sc2c(c1)CCC2)NC(C(O)(C)C)(C)C	PC-id_103895499	267.387	GOFYWTXEDXMJCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036013
OCCCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_103919360	267.387	KWCJDVJRBWGTAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036014
OC(C(C)C)CCNC(=O)c1sc2c(c1)CCC2	PC-id_111461217	267.387	ZOAVIQBFNXGLDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036015
OCCC(C(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_113261298	267.387	HYDBVUBXDSRONK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036016
OCC(CCCNC(=O)c1sc2c(c1)CCC2)C	PC-id_103862189	267.387	HMYFGNCTQLTWIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036017
OCCCCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_107202269	267.387	FNTGCBCBLJYQDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036018
OCCC(CNC(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_315462290,PC-id_80308706	267.387	KZJPFNKAQMMENJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036019
OCCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_103772968	267.387	WLTRBMDGKINHNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036020
OCCC(NC(=O)c1sc2c(c1)CCC2)(CC)C	PC-id_103945575	267.387	YZJIIDVSADYISG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036021
OCCCN(C(=O)c1sc2c(c1)CCC2)C(C)C	PC-id_54917288,EMOLS-id_314079659	267.387	OWQAVDUYEMMIHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036022
OCC(NC(=O)c1sc2c(c1)CCC2)CC(C)C	PC-id_61246759,EMOLS-id_314518961	267.387	HMEZWUFBUYCIGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036023
O=C(COC(C)(C)C)NCc1sc2c(c1)CCC2	PC-id_112605259	267.387	VLRHQPWUHLTBJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036024
O=C(N1Cc2c(C1)csc2C(C)C)OC(C)(C)C	PC-id_18947058,SCHEMBL9182285	267.387	MFXDOZIKJIAGCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036025
O=C(OC(C)(C)C)CNCc1sc2c(c1)CCC2	EMOLS-id_314098373,PC-id_61207422	267.387	KRZLHPJIPJVCMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036026
O=C(OC(C)(C)C)Nc1csc2c1C(C)(C)CC2	PC-id_121601310	267.387	WTUJMAHEUHEHMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036027
OC(=O)N(C(C(C)(C)C)C1CCc2c1ccs2)C	PC-id_67256912,SCHEMBL2037679	267.387	UEQRRZHEUATVQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036028
s1c2c(CCC2)cc1CNCCCCCC(=O)O	PC-id_64296484	267.387	JGEZKTGQIYFCRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036029
s1c2c(CCC2)cc1CNC(C(C)C(=O)OC)C	PC-id_79391853	267.387	YOWXMEGEDIYGQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036030
s1c2c(CCC2)c(c1NCCCC)C(=O)OCC	PC-id_83380474	267.387	FRZLJPPRRSECNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036031
s1c2c(CCC2)c(c1NCC(C)C)C(=O)OCC	PC-id_83380831	267.387	QBLVETCRYNAWPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036032
s1c2CCCc2cc1CNCC#Cc1ccccc1	PC-id_62340704	267.389	UJZULWRUOQUXGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036033
c1(NC(=O)C(C)C)c2CSCc2nn1C(C)(C)C	SCHEMBL4882933,CoCoCo_4972551,ZINC22_4077159,ChEMBL-DNDi_CHEMBLF0396-0009,PC-id_4451750,EMOLS-id_5426027,MCULE-4553487140	267.39	HKGMVYQSRKNJSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036034
CCC1=Nc2n(S1C(C1CC(C1)(C)C)O)cnc2	SCHEMBL20744414	267.39	ANDZJYRUPAVNGD-UHFFFAOYSA-N	00001011100000000001000010000000000000000000000000000000	25-01-036035
CCC1=Nc2n(S1C(C1(C)CCCC1)O)cnc2	SCHEMBL20743814	267.39	HNYIKLWWUZFCQR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-036036
CCC1=Nc2n(S1C(C1CCCCC1)O)cnc2	SCHEMBL20744397	267.39	MVNZCBDMEDBUHI-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-036037
CCC1=Nc2n(S1C(CC1CCCC1)O)cnc2	SCHEMBL20743852	267.39	YCKCYKHCUYAEMJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-036038
CCC1=Nc2n(S1[C@@H](C1CCCCC1)O)cnc2	SCHEMBL20743261	267.39	MVNZCBDMEDBUHI-ZDUSSCGKSA-N	00000011100010000001000010000000000000000000000000000000	25-01-036039
CCCC(=O)Nc1c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0273,EMOLS-id_5426391,PC-id_3412016,CoCoCo_4972734	267.39	NFFYCBKLZQIUKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036040
CCC(C(=O)Nc1sc2c(n1)CCC2)(CN)CC	PC-id_115432452,EMOLS-id_315632126	267.39	FFBKLLWSHBCEPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036041
CC(NCCCC(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_315220157,PC-id_54963298	267.39	LRLXMCLWHGYQQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036042
NCCCCCCC(=O)Nc1sc2c(n1)CCC2	PC-id_54963352,EMOLS-id_315220669	267.39	MTIMVACYISGCFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036043
NCCC(CCC(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_314279237,PC-id_64350354	267.39	FLHFOZOLBIEHQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036044
NCC(C(=O)Nc1sc2c(n1)CCC2)CC(C)C	EMOLS-id_315470941,PC-id_80112219	267.39	OYZWYVYRMUCHPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036045
OC1CCC(CC1)NCCc1nc2n(c1)CCS2	EMOLS-id_98605650	267.39	WLZLAFSZRTYCTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036046
OC(C1(C)CCCCC1)S1C(=Nc2n1cnc2)C	SCHEMBL20743273	267.39	VLOYVYOFIKPKBG-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-036047
O=C(CC(C(C)(C)C)N)Nc1sc2c(n1)CCC2	PC-id_81986855,EMOLS-id_315727251	267.39	FQRVSWQITCRNQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036048
O=C(C(C(N)(C)C)(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_315351387,PC-id_65269404	267.39	OYVWXQKFFARFJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036049
OCCN1CCN(CC1)Cc1sc2c(c1)CNC2	PC-id_141432079	267.39	IMBNPMKXAIVAKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036050
OCCN1CCN(CC1)Cc1sc2c(n1)CCC2	PC-id_109973832	267.39	SYKTWASNORXINP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036051
O=C(Nc1sc2c(n1)CCC2)CCNC(C)(C)C	EMOLS-id_314144273,PC-id_54963299	267.39	OHQCVZPVHXSQNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036052
OC(S1C(=Nc2n1cnc2)C)C1CCC(C1)(C)C	SCHEMBL20743301	267.39	HBQWITBMXCBJQH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-036053
s1c2c(CCC2)cc1CNCCCCC(=NO)N	PC-id_64335949	267.39	BMEOTJNODWWAHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036054
s1c2c(CCC2)cc1CNC(CC)C/C(=N/O)/N	PC-id_64336153	267.39	LFXGILHQNRHVAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036055
CC(CN=C(NCCc1nc2n(c1)CCS2)N)C	PC-id_121829401	267.394	FAJLSQBPLHJBTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036056
CCNC(=NCCc1cn2c(n1)SCC2)NCC	PC-id_121823186	267.394	XDFDFPYEIPJHOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036057
CC(NC(=NCCc1cn2c(n1)SCC2)N)CC	PC-id_121829400	267.394	JIXFKIWUPYWQQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036058
NC(=NCCc1cn2c(n1)SCC2)NC(C)(C)C	PC-id_120363244	267.394	MJPJKXZHHZFWRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036059
CC([Si](OC[C@H]1OC(=O)c2c1c[nH]c2)(C)C)(C)C	PC-id_102377250	267.396	QHAUQFVTCQNONR-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036060
CC1CSCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_102571381	267.41	CDLNCOAETGECJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036061
O=C(c1sc2c(c1)CCC2)N1CCSCCC1	EMOLS-id_102299140	267.41	VPPQLNHOAAZCGR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-036062
O=C(c1sc2c(c1)CCC2)NCC([NH+](C)C)(C)C	GD-id_ZINC48375596	267.41	HMQJSNVSNOQLMU-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-036063
CCCCON1Sc2c(S1)sc(=O)s2	PC-id_91691252	267.412	UDHGLHMYILJUGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036064
CCCCCC1=Nn2c([SH]1)nnc2CCCCC	SCHEMBL2928979	267.414	DJJIFPXAYKVXOD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-036065
CN(CCCn1c(c2CCCc2c1O)O)[Si](C)C	PC-id_91020755	267.419	FNZOHXYDEJXNTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036066
CCC(CNCc1sc2c(c1)CCC2)(CO)CC	PC-id_81419721,EMOLS-id_315557311	267.43	DYMPPYOLQDJYLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036067
CCCNC(c1sc2c(c1)CCC2)CCCOC	PC-id_105054854	267.43	NXAPFIQWRFPYRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036068
CCCNC(c1sc2c(c1)CCC2)COCCC	PC-id_105008365	267.43	HHLYMFZFENTXAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036069
CCCNC(c1sc2c(c1)CCC2)COC(C)C	PC-id_105013112	267.43	GNNYLZAACMXXAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036070
CNC(c1sc2c(c1)CCC2)CCC(OC)(C)C	PC-id_103031483	267.43	YWULMDGVZOGKRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036071
COCCC(C(c1sc2c(c1)CCC2)NCC)C	PC-id_105044742	267.43	KDRVSEZLOCCANG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036072
COC(CC(NCc1sc2c(c1)CCC2)C)(C)C	PC-id_61209325,EMOLS-id_314101188	267.43	NXCTYPNIUNSONH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036073
s1c2CCCc2cc1CNCCOCCC(C)C	PC-id_54955987	267.43	KFWQMPKQFCELKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036074
[Si](CCOCn1nc2C(CCc2c1N)C)(C)(C)C	PC-id_11334656	267.443	WFEBKLVTUXEPBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036075
S1C(C(NCc2sc3c(CCC3)c2)CCC1)C	PC-id_79956954	267.453	XVYHUDDIZOZHQJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-036076
c12CN(Cc1nn(CCC)c2Cl)CC(F)(F)F	EMOLS-id_324340591,MCULE-6056062668	267.679	LLOUBBGGWLETSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036077
C[C@@]([C@@H](C(=O)c1ccc2n1CCC2C#N)N)(Cl)O	PC-id_70616013,SCHEMBL11585424	267.711	PPWMMKSQRXJSSR-VBPORKNPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036078
ClC[C@@H](O)[C@H](N)C(=O)c1n2CCC(c2cc1)C#N	SCHEMBL11592236,PC-id_70617179	267.711	XSGBZLLGQQNHAF-RFSDDRETSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036079
ClCC(O)C(N)C(=O)c1n2CCC(c2cc1)C#N	PC-id_77883543	267.711	XSGBZLLGQQNHAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036080
ClC(O)(C(N)C(=O)c1n2CCC(c2cc1)C#N)C	PC-id_77883353	267.711	PPWMMKSQRXJSSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036081
OCC(CNC1CCc2c1cc(s2)Cl)(F)F	PC-id_104860532	267.723	QNXRCZUCQFDFGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036082
OC(C(F)F)CNC1CCc2c1cc(s2)Cl	PC-id_105644219	267.723	FXRZUSLXCNJLKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036083
Clc1c(ncnc1N)Nc1sc2c(n1)CCC2	PC-id_108181492	267.738	YLVFMFUDEJKEMB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-036084
Nc1c(ncnc1Cl)Nc1sc2c(n1)CCC2	PC-id_114074487	267.738	ZVAVMIMEZSWSJA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-036085
Clc1sc2CCC(Nc3ccc(F)cc3)c2c1	PC-id_81252669	267.75	BEPDZCHYQFUMMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036086
Clc1sc2CCC(Nc3cc(F)ccc3)c2c1	PC-id_81252265	267.75	VDRCQENERAXLNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036087
Clc1sc2CCC(Nc3c(F)cccc3)c2c1	PC-id_81252882	267.75	OXASWAMSEPIPBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036088
ClC1CCC(CC1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319222362	267.755	SHKPDYMQIFXZNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036089
ClC1CCC(CC1)C(=O)NC1CCn2c1ncc2	EMOLS-id_319843117	267.755	QVERBMOYMDJAFX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036090
Clc1ccc(o1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138577,PC-id_61207401	267.774	ZBKMLRLGXRWDRH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-036091
Clc1sc2c(C(NC(c3occc3)C)CC2)c1	PC-id_81251406	267.774	CZWFMAWZISLFQJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-036092
Clc1sc2c(C(NCc3oc(cc3)C)CC2)c1	PC-id_81252074	267.774	XUJZVJJBFMCRCW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-036093
Clc1sc2c(C(NCCc3occc3)CC2)c1	PC-id_81252893	267.774	WDFAKHSEHVOIDZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-036094
Clc1sc2c(C(N[C@@H](c3occc3)C)CC2)c1	PC-id_81402881	267.774	CZWFMAWZISLFQJ-HNHGDDPOSA-N	00000010101000000000000010000000000000000000000000000000	25-01-036095
Clc1sc2c(C(N[C@H](c3occc3)C)CC2)c1	PC-id_81403896	267.774	CZWFMAWZISLFQJ-PEHGTWAWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-036096
Clc1cnn(c1C(c1sc2c(c1)CCC2)N)C	PC-id_105046405	267.778	YLFIKRMCXHJDNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036097
Clc1sc2c(c1)C(CC2)NC(c1c[nH]nc1)C	PC-id_113349241	267.778	RNSPBWUWMUGVHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036098
Clc1sc2c(c1)C(CC2)NC(c1ncc[nH]1)C	PC-id_116330968	267.778	YCWVHTFCGVJUND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036099
Clc1sc2c(c1)C(CC2)NCCc1ncc[nH]1	PC-id_113505041	267.778	VDBFTNKCMKJJCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036100
Clc1sc2CCC(Nc3cn(nc3)CC)c2c1	PC-id_81251504	267.778	FAXNSMYXIBKEHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036101
Clc1sc2c(C(Nc3c([nH]nc3C)C)CC2)c1	PC-id_81251598	267.778	HQRXMYOUZLZMQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036102
Clc1sc2c(C(NCc3c([nH]nc3)C)CC2)c1	PC-id_81252694	267.778	OSWNTDNKYPVFPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036103
Clc1sc2c(C(NCc3cn(nc3)C)CC2)c1	PC-id_81252294	267.778	AIBYZBQZLUIRCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036104
Clc1sc2c(C(NCc3n(ccn3)C)CC2)c1	PC-id_81251529	267.778	QZYGSFQDRXUSGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036105
Clc1sc2c(C(NCc3n(ncc3)C)CC2)c1	PC-id_81251623	267.778	MRUNVDBXBMGJIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036106
Clc1sc2c(C(NCc3nn(cc3)C)CC2)c1	PC-id_82882379	267.778	TURMZPZIVHWQFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036107
Clc1sc2c(C(NCCc3[nH]cnc3)CC2)c1	PC-id_81252081	267.778	OBKPYYIVQMLDMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036108
Clc1sc2c(C(NCCn3ccnc3)CC2)c1	PC-id_81252293	267.778	DZIDNDPXFMUYAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036109
Clc1sc2c(C(NCCn3nccc3)CC2)c1	PC-id_81252594	267.778	LDFTUBIXPRYWFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036110
Cn1nc(c(c1)NC1CCc2c1cc(s2)Cl)C	PC-id_113626926	267.778	AUENQKNSWUBNOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036111
Clc1cc2c(s1)CCC2NCC1(CC1)C1CC1	PC-id_103904195	267.817	LZRKNLSVXLUMRV-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-036112
Clc1sc2c(c1)C(CC2)NCCC1=CCCC1	PC-id_113349097	267.817	UHPBCHPGHUYSME-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-036113
Clc1sc2c(C(NC(C3CC3)C3CC3)CC2)c1	PC-id_81251939	267.817	JACHEJQGBSHOHV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-036114
Clc1sc2c(C(NCC3CCC=CC3)CC2)c1	PC-id_81251619	267.817	BTHKYTVPXVTXSD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-036115
C1=C(SC2=C1C(=O)C(C2O)(F)F)Br	PC-id_149201828	267.901	XEVOLKSWCXSFLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036116
[Sn](C1c2n(C=C1)ccc2)(C)(C)C	PC-id_15419981	267.934	XQQWZMHRZDCTFB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-036117
CC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)[O-]	PC-id_153742355	268.098	UWNKAFVMCAEKRB-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-036119
C[C@@H]1CC(C2=C1C(=NN2C(C)C)C(F)(F)F)(F)F	PC-id_153569734	268.1	QNHYVXGMOAEQGU-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036120
Brc1sc2c(c1)S(=O)(=O)NC2=O	SCHEMBL4362836,PC-id_69016852	268.108	VLEBJSKXPMNRGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036121
Brc1cnn(Cc2nnc3CCCn23)c1	EMOLS-id_337810937,MCULE-6324544437	268.113	QHELAHUIGAHKIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036122
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)COC)C	PC-id_160961398	268.117	SXBCMPRSZFIKSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036123
CC(C)(C)OC(=O)N1CCN2C1=C(N=N2)C(=O)OC	PC-id_147149978	268.117	BTULTDSPYQFJGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036124
C1CC2=NN=C(N2C1)CNC(=O)C=CC3=CC=CC=C3	PC-id_154768805,EMOLS-id_257873314,MCULE-3100026462	268.132	FVJMWKMUQDWRNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036125
c12CSCc1scc2I	EMOLS-id_330872388,MCULE-9879925102	268.138	TWQGYJIZLAITDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036126
C1=CC(c2c1c(nn2CC(=O)O)C(F)(F)F)(F)F	SCHEMBL16006472,PC-id_90385624	268.14	VRKNGSBTXJEMEF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-036127
CNC[C@H]([C@H](c1ccccc1)n1ccc2c1C=[N+]=C2)O	PC-id_164087360	268.144	RCRLRYQSPUQOPV-CVEARBPZSA-N	00000011100000110000000010000000000000000000000000000000	25-01-036128
CC1CCc2c1c(CBr)nn2CCC#N	EMOLS-id_331032077,MCULE-3676843143	268.153	MIBCDABRLRMZIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036129
CC1CCc2nn(CCC#N)c(CBr)c12	EMOLS-id_331016380,MCULE-7990843063	268.153	DHFFNPAVKPGAIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036130
C/C=CC(=C/C)C1CCc2n1nc(n2)Br	PC-id_138553480,SCHEMBL20909503	268.153	JUOVRLBECFXZIK-VOGDQUTBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036131
CC1=C2CCC(C2=NN1COCC[Si](C)(C)C)O	PC-id_153453449	268.161	POWNBAJYRCOZQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036132
CC1=C2CC[C@@H](C2=NN1COCC[Si](C)(C)C)O	PC-id_153453451,EMOLS-id_324285543	268.161	POWNBAJYRCOZQG-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036133
CC1(CN2C(=CC=N2)O1)CO[Si](C)(C)C(C)(C)C	PC-id_165370189	268.161	ZWEXDFLJKYBUER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036134
O=C1CC(c2c1n(nc2C(F)(F)F)C(C)C)(F)F	SCHEMBL18853778	268.183	VTXQLSMEACIAAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036135
N#CC1CC(CN1C(=O)c1nn2c(c1)OCC2)(F)F	EMOLS-id_319704536	268.22	PAHSJUXEYDSXKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036136
O1C(Cn2c1nc([N+](=O)[O-])c2)(CN1CCOC1=O)C	SCHEMBL5542960,PC-id_23081223	268.226	ZLAKJYFMCWFZBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036137
FC(C(C(=O)Nc1sc2c(n1)CCC2)(F)F)F	PC-id_103732219	268.231	ZQHLZZVRGIAPDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036138
CCOC(=O)c1[pH]c(c2c1CCC2)C(=O)OCC	PC-id_101405966	268.245	ZGNUHJPQNCXCSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036139
CC(C)n1c2c(CS(=O)(=O)C2)c(n1)C(F)(F)F	SCHEMBL15724395,PC-id_90162772	268.256	VNJOBGYKDZEUHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036140
FC(c1onc(c1)CNCc1cnn2c1CCC2)F	EMOLS-id_320096732,MCULE-9750785982	268.263	UCXOKXFOYWNXAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036141
CCOCc1c2C(CCn2cc1[N+](=O)[O-])OC(=O)C	PC-id_101224440	268.266	CTGSJPFLPHXOTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036142
COC(=O)c1oc2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_66608460,SCHEMBL156126	268.266	SMCDHDMNTASFCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036143
O(C(C)(C)C)C(=O)N1Cc2c(noc2CC(=O)O)C1	PC-id_83866754	268.266	MNACMFNILYPJIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036144
O(C(C)(C)C)C(=O)N1Cc2c(onc2CC(=O)O)C1	PC-id_83866723	268.266	BGNGYKPRWSHVLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036145
O(C(C)(C)C)C(=O)N1Cc2oc(nc2C1)CC(=O)O	PC-id_83949628	268.266	NIOLYWCWXKEGPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036146
C1COc2c(c(nn12)C(=O)NCc1nccs1)F	PC-id_91960080	268.267	ICQULIAQWWVDRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036147
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)O	PC-id_69368275,SCHEMBL5242973	268.269	XKTBQTCHLQPONV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036148
O(C(C)(C)C)C(=O)N1Cc2n(nnc2C1)CC(=O)O	PC-id_82379520	268.269	DFVDXTMHUCTDTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036149
O(C(C)(C)C)C(=O)N1CCc2n(nnc12)CC(=O)O	PC-id_82379519	268.269	DSROJDMPANXEPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036150
O(CC(=O)N(Cc1n2CCCc2nn1)C)CC(=O)O	PC-id_61327685	268.269	WJPJEDNQYKEELE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036151
O(CC(=O)NC(c1n2CCCc2nn1)C)CC(=O)O	PC-id_61328640	268.269	DXUXBGVZJHWLNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036152
O=C(O)CC[C@H](O)C(=O)NCc1nnc2n1CCC2	ZINC22_1875387035	268.269	KPNRJJMHUHHQDI-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036153
s1c2c(CCC2)c(c1NC(=O)C(=O)NN)C(=O)[O-]	PC-id_8072233	268.269	SXPZJVCOIPIAPT-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-036154
o1nc(nc1Cn1nc2CCCc2c1)c1nccnc1	PC-id_56861505	268.274	PTHZNZWDUPQXDG-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-036155
s1c2CCNc2nc1COc1cc(F)c(F)cc1	PC-id_82092525	268.282	QXVABEOXGZOTOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036156
s1c2CCNc2nc1COc1c(F)cc(F)cc1	PC-id_82092524	268.282	FEFKYFLGJGMSHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036157
C1CCN(C1)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960122	268.287	DNQHCDCTGGHKGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036158
CN1CCC(CC1)NC(=O)c1nn2CCOc2c1F	PC-id_91960058	268.287	LNSTXUDWICWXIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036159
CN(C(=O)c1nn2C(CC(c2n1)F)CC1CC1)OC	PC-id_137408084,SCHEMBL20640750	268.287	BIWQNXSPCCSODN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036160
CN(C(=O)c1nn2[C@@H](C[C@@H](c2n1)F)CC1CC1)OC	SCHEMBL20640752,PC-id_137408086	268.287	BIWQNXSPCCSODN-BDAKNGLRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036161
[O-]C(=O)C1c2n(CC1)c(c(c2)C)C(=O)c1ccccc1	PC-id_20351598	268.287	WKLDPSRLGSAAPU-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-036162
[O-]C(=O)C1(CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_18335747	268.287	COYXTYZCEMYRIC-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-036163
O=C1N(C(c2n1ccc2)CC(=O)c1ccccc1)CC	PC-id_10825782	268.31	YADJDUFEEGEPDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036187
c1(NC(=O)C(=O)N)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2530426,ZINC22_4858118,MCULE-8572075019,CoCoCo_1021470,STOCK6S-15858,PC-id_2990095	268.289	ZYCIXQSVGIRCSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036164
COC(=O)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_60001289,SCHEMBL8289834	268.289	MGWUJAVJGPINDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036165
NC(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-5123090758,ZINC22_4462283,EMOLS-id_33296795,PC-id_4011288	268.289	WAHRXMFAIRPUEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036166
CCOC(=O)C1=Cc2c([N]1)n(nc2)Cc1ccccc1	SCHEMBL4057055	268.291	HJBWBMUCBCZPSF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036167
Cc1conc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700024	268.292	CUAPZFMOXVOFRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036168
Cc1onc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477458	268.292	GFYVASAOGSFGOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036169
Cc1oncc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100969144	268.292	WUNCIXSHDIBEGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036170
CCn1ncc(n1)S(=O)(=O)N1CCn2c1ccn2	EMOLS-id_318909708	268.296	FQBFPBIOFYAUGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036171
CCn1ncc(n1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_318780389	268.296	JXVAOGMAMSUPIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036172
FCCNC(=O)CNC(=O)c1scc2c1C=CC2	PC-id_141443915	268.307	JROMDYCNHFPJAS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-036173
c1(C(=O)O)c2CCCc2n(CC=Cc2ccccc2)n1	MCULE-1889221231	268.31	ZCNFZOADUXPRAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036174
CCOC(=O)c1[nH]nc2c1CC/C/2=C/c1ccccc1	CoCoCo_3740505,PC-id_7481755	268.31	UEDGUBOVLOOXMD-BENRWUELSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036175
CCOC(=O)c1[nH]nc2c1CCC2=Cc1ccccc1	PC-id_5048861,MCULE-4247732456,EMOLS-id_316736215	268.31	UEDGUBOVLOOXMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036176
CCOC(=O)c1nn(c2c1C=CC2)Cc1ccccc1	PC-id_69474904,SCHEMBL5522868	268.31	DFRYAFMBZDYDPG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036177
CCOC(=O)c1nn(c2c1CC=C2)Cc1ccccc1	SCHEMBL5524286,PC-id_69475424	268.31	WHSLSRMOASSNAG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036178
CCOC(=O)c1n[nH]c2c1CC=C2Cc1ccccc1	PC-id_69704486,SCHEMBL6208390	268.31	FMTUWFNTOSNUDW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036179
CCOC(=O)c1n[nH]c2c1C=CC2Cc1ccccc1	SCHEMBL6208260,PC-id_69704425	268.31	QYBUAHGYYQZKQI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036180
CCOC(=O)c1n[nH]c2c1CC/C/2=Cc1ccccc1	ZINC22_33673249,CoCoCo_3740506,CoCoCo_3740503,CoCoCo_3740504	268.31	UEDGUBOVLOOXMD-ZRDIBKRKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036181
CNC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_139027804,MCULE-8415158249,EMOLS-id_320328883	268.31	SAIOCDVYXLASDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036182
CNC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_665939727	268.31	SAIOCDVYXLASDU-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036183
CNC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_665939728	268.31	SAIOCDVYXLASDU-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036184
O=C1c2[nH]c(c(c2CC1)C(=O)NCc1ccccc1)C	SCHEMBL5253923,PC-id_21051553	268.31	QOOFXBZFYVSPAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036185
O=C1C(Cn2c1ccc2)CC(=O)Nc1ccc(cc1)C	TIMTEC52119,PC-id_23996621	268.31	YOBKFJBJDNTTJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036186
O=C(c1ccc2n1CCC2NC(=O)C)c1ccccc1	SCHEMBL13653085,PC-id_59810037	268.31	HYBDDFBQWJKJLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036188
O=C(C[C@@H]1Cn2c(C1=O)ccc2)Nc1ccc(cc1)C	PC-id_93531899	268.31	YOBKFJBJDNTTJG-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036189
O=C(C[C@H]1Cn2c(C1=O)ccc2)Nc1ccc(cc1)C	PC-id_93531900	268.31	YOBKFJBJDNTTJG-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036190
OC(=O)c1n(nc2c1CCC2)C/C=C/c1ccccc1	PC-id_82305098	268.31	BUHCVHTWTHWLBC-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036191
OC(=O)c1nn(c2CCCc12)C/C=C/c1ccccc1	PC-id_82305100	268.31	ZCNFZOADUXPRAF-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036192
Cc1ncc(s1)Cn1c(=O)oc2c1ccs2=O	PC-id_142674390	268.312	QBEJXKHLOFOYJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-036193
Cc1scc(n1)Cn1c(=O)oc2c1ccs2=O	PC-id_142674400	268.312	GDMFEKXIMCILIF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-036194
NCCn1[nH]c2c(c1=O)CN(C2)C(=O)OC(C)(C)C	PC-id_105517160	268.312	ZOLBLVXMQUVZCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036195
OCCn1nc2c(c1N)CN(C2)C(=O)OC(C)(C)C	PC-id_105517158	268.312	NMVJYLUXTFMCPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036196
OCCn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)N	PC-id_105517159	268.312	KYDNNLQTVCVPFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036197
OCCNc1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C	PC-id_141254929	268.312	QZQFWQJLNBEJHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036198
S1(=O)(=O)N(CCC=CC#N)C(=O)c2c1csc2	PC-id_86254651	268.312	PBJIZKULZUHCNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036199
c1(c2CCCc2n[nH]1)C(=O)N1CC(C1)c1ccncc1	PC-id_119072416,EMOLS-id_82736933,ZINC22_426658320,MCULE-4089126409	268.314	JQYIOWUPUSURMK-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-036200
C1C(C1NC(=O)N1Cc2c(C1)[nH]nc2)c1ccccc1	PC-id_91348124	268.314	ROZLGQDCEIXDDX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-036201
C1Cc2c(C(=O)NN=Cc3ccc(C)cc3)n[nH]c2C1	PC-id_2046067,MCULE-2560220128	268.314	SVKHZVGNMJLGIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036202
c1(C(=O)NN=C(C)c2ccccc2)c2CCCc2[nH]n1	MCULE-8969936202,PC-id_4300233	268.314	IDBFDJNMJHDZQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036203
C/C(=NNC(=O)c1n[nH]c2CCCc12)/c1ccccc1	PC-id_9656800,CoCoCo_5956882,CoCoCo_5956880,EMOLS-id_207270184	268.314	IDBFDJNMJHDZQP-MHWRWJLKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036204
C=CN(Oc1ccccc1)/C=C/1Cn2c(N1)c(cn2)C	PC-id_145211345	268.314	FOUZJAGALVTIOI-JLHYYAGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036205
N#Cc1cc(C)c(c(c1)C)OCc1nnc2n1CCC2	EMOLS-id_319737729	268.314	RCGSZDSAMINGDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036206
O=C(c1cn2c(n1)CCC2)N1CC(C1)c1ccccn1	EMOLS-id_279026580	268.314	IXHBFBXDFYUABW-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-036207
O=C(c1cnc2n1CCC2)N1CC(C1)c1ccccn1	EMOLS-id_319685370	268.314	SFQQXPNLKPZCGD-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-036208
O=C(c1cnn2c1CCC2)N1CC(C1)c1ccccn1	EMOLS-id_279026538	268.314	JRNRMRWNNXCADE-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-036209
O=C(C1NCc2c1c[nH]n2)NCC1Cc2c1cccc2	EMOLS-id_318889224	268.314	BOTFYZSNGQCJCX-UHFFFAOYSA-N	00001010100000100001001010000000000000000000000000000000	25-01-036210
O=C(c1nccc(c1)C1CC1)NC1CCn2c1ncc2	EMOLS-id_319712817	268.314	SOYDETFZGKLPED-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-036211
O=C(c1[nH]nc2c1CCC2)N/N=C(c1ccccc1)/C	PC-id_6062470,CoCoCo_5956883,CoCoCo_5956881	268.314	IDBFDJNMJHDZQP-YBEGLDIGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036212
O=C(c1n[nH]c2c1CCC2)N1CC(C1)c1ccccn1	EMOLS-id_319758266	268.314	MJFWAFQYDXMXAW-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-036213
O=C(Nc1ccccc1C)N/N=C/1CCn2c1ccc2	GD-id_ZINC43991930	268.314	QMAYTXOLIKLYPB-GHRIWEEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-036214
O=C(Nc1ccccc1C)NN=C1CCn2c1ccc2	PC-id_72154271,EMOLS-id_42863981,MCULE-1431236843	268.314	QMAYTXOLIKLYPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036215
O=C(Nc1cccnc1C1CC1)c1cnc2n1CCC2	ZINC22_889882876,EMOLS-id_316978638,PC-id_136567579,MCULE-1728529461	268.314	ABAXGSOMBHIGAZ-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-036216
O=C(N/N=C
/CCn2c1ccc2)Nc1c(cccc1)C	PC-id_75532250	268.314	QMAYTXOLIKLYPB-LGMDPLHJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036217
O=C(NN=Cc1c(cccc1)C)c1n[nH]c2CCCc12	PC-id_2048308	268.314	FHOJPMXPUDNWLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036218
O=C(NN=Cc1cc(ccc1)C)c1n[nH]c2CCCc12	PC-id_3996730	268.314	LDOHLWOWSPLXNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036219
O=C(N/N=C/c1ccc(cc1)C)c1n[nH]c2CCCc12	PC-id_6891218	268.314	SVKHZVGNMJLGIJ-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036220
S1Cc2c(noc2NC(=O)c2snnc2C)C1	PC-id_49669656	268.315	RIBMXEMRWJKEPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036221
Cc1cc(NCc2nnc3CCCn23)nc(C)c1C#N	EMOLS-id_337817467,MCULE-8963447606,ZINC22_2356164958	268.317	NGEQLYBMYAATJM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-036222
CC1=Nn2c(C1=Nc1ccc(cc1)N(C)C)nnc2C	PC-id_101118514	268.317	VXIBRJVDTASAGR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036223
Cc1nn2c(n1)C(=Nc1ccc(cc1)N(C)C)C(=N2)C	PC-id_101118515	268.317	JTZNLSAPBDSKME-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036224
CCNc1ccc(cc1)N=C1C(=Nn2c1nc(n2)C)C	PC-id_102010481	268.317	RHRIJKJNRVPSPH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036225
CC(C1Cc2c(C1)cc(s2)C(C(=O)O)C(=O)O)C	PC-id_21317971,SCHEMBL11530447	268.329	ZVRHLSGIMMVWCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036226
CCC1Cc2c(C1)cc(s2)C(C(=O)O)(C(=O)O)C	SCHEMBL11532960,PC-id_21317993	268.329	IGGJDLSTXQNSCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036227
CC(C)(C)OC(=O)c1c(sc2c1CCC2)C(=O)O	PC-id_91524640	268.329	OUVONUPAGOGMLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036228
CCOC(=O)C1(Cc2c(C1)csc2)C(=O)OCC	PC-id_15814411,SCHEMBL7827116	268.329	BTAGTKMYAFQPBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036229
CCOC(=O)c1sc(c2c1CCC2)C(=O)OCC	PC-id_102575725	268.329	VYEIWUKNXSUCMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036230
S1(=O)(=O)C(C(=O)C2CCCCC2)c2c(C1)coc2	PC-id_15150130	268.329	GYQBYHVACZAUMS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-036231
CNC(=C)/C=CC(=C)/C=C/c1oc2=CC(=[O+]C)C=c2c1	PC-id_145647884	268.33	UUQFKMRXVVQMQM-CGXWXWIYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036232
c12CN(Cc1scc2C(=O)N)C(=O)OC(C)(C)C	EMOLS-id_331064866,MCULE-3781540575	268.332	LAGWZBFVWXMEPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036233
c12CN(Cc1sc(N)c2C=O)C(=O)OC(C)(C)C	EMOLS-id_331065123,MCULE-1388181805	268.332	DIYTVJWZGDKTRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036234
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328029,MCULE-6446070783	268.332	JNZKQMAJKQOUNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036235
c1(NC(=O)OCCC)sc2c(CCC2)c1C(=O)N	CK1723066,MCULE-3773240788,BAS-01111131,CoCoCo_169160,ZINC22_4037743,EMOLS-id_1308877,PC-id_2788988,SCHEMBL8289422	268.332	XDVTYTRVJWKAQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036236
CCCNC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_315095956,PC-id_43328037	268.332	YMHFLKONGJTXLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036237
CCN(C(=O)Nc1sc2c(c1C(=O)O)CCC2)C	EMOLS-id_260299802,PC-id_79159798	268.332	AJXLZHKHSRWUNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036238
CC(NC(=O)Nc1sc2c(c1C(=O)O)CCC2)C	PC-id_43328039,EMOLS-id_314581571	268.332	ZRFRWKJURVSMKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036239
CC(OC(=O)c1c(C)cn2c1SC(C2)C(=O)N)C	PC-id_139944680	268.332	KHPNCJLUWSVPTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036240
CCOC(=O)CCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314590542,PC-id_60674662	268.332	UATAEKBDESHWOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036241
CCOC(=O)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_181141181,PC-id_110461553,MCULE-4308575700	268.332	JLDJESLCGBGAHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036242
CN(CC(=O)Nc1sc2c(c1C(=O)O)CCC2)C	EMOLS-id_314996056,PC-id_28866174	268.332	RGBQCUQXEQOMTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036243
CNCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_314102196,PC-id_60641280	268.332	GQUQXJNKCORKNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036244
CNC(=O)C1Cn2c(S1)c(cc2)C(=O)OC(C)C	PC-id_139944691	268.332	VIWKAOFGXIKXSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036245
COC1CC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105856785	268.332	YWMSCIHYEANCQB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036246
COC(=O)c1c(NC(=O)[C@H](N)C)sc2c1CCC2	PC-id_54995965,EMOLS-id_315200466	268.332	ARMLGDPVDRLCJJ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036247
COC(=O)c1c(NC(=O)[C@@H](N)C)sc2c1CCC2	PC-id_78969020,EMOLS-id_314556085	268.332	ARMLGDPVDRLCJJ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-036248
COC(=O)c1c(NC(=O)C(N)C)sc2c1CCC2	PC-id_61252489,EMOLS-id_314556341	268.332	ARMLGDPVDRLCJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036249
n1c2CCCc2sc1CCNC(=O)CCC(=O)O	MCULE-9830188520,EMOLS-id_324830299,PC-id_110461503	268.332	KFNPHJDHICZJEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036250
NCCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_314062289,PC-id_61252113	268.332	BZUHDMYLAJFXIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036251
O=C(CC1(O)CCOC1)Nc1sc2c(n1)CCC2	EMOLS-id_318858727	268.332	WBYJZJWWGMSNER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036252
O=C(C(C(C(=O)O)C)C)Nc1sc2c(n1)CCC2	PC-id_103498107	268.332	OQPOQXIZJGOHFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036253
O=C(CC(C(=O)O)(C)C)Nc1sc2c(n1)CCC2	PC-id_65300396,EMOLS-id_314900790	268.332	BRQBEKOHFHRHOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036254
O=C([C@@H]1COC(O1)(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_319127122	268.332	VYYOUGIVAOXCIN-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036255
OC(=O)C1CCc2c1nc(s2)NC1CCCOC1	PC-id_113395788	268.332	CZDYIVZEMSZOCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036256
OC(=O)C1CCc2c1nc(s2)NC1CCOC1C	PC-id_104289181	268.332	KNUJVIXQNRHMIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036257
OC(=O)C1CCc2c1nc(s2)NC1CCOCC1	PC-id_104287998	268.332	BODYPLHDJQFEMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036258
OC(=O)C1CCc2c1nc(s2)NC1(C)COCC1	PC-id_116165942	268.332	LPRQVLMBTSMVKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036259
OC(=O)C1CCc2c1nc(s2)N(C1COCC1)C	PC-id_104289187	268.332	FHGNTUIGWDEVJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036260
OC(=O)C1CCc2c1nc(s2)NCC1CCCO1	PC-id_104287657	268.332	CUEBPAURDCZFNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036261
OC(=O)C1CCc2c1nc(s2)NCC1COCC1	PC-id_113395769	268.332	PBJWEWAIVURPPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036262
OC(=O)CCCCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315220922,PC-id_54962991	268.332	JTISNLCYFKNBKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036263
OC(=O)CC(CC(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_314189921,PC-id_62964416	268.332	OYHUKZNBPFVJGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036264
OC(=O)CC(C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_315346455,PC-id_64894193	268.332	SOGXJTBNQBSKMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036265
ON=Cc1scc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_139679530	268.332	NZRZZDSPZVDPHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036266
ONC(=O)c1sc2c(c1)CN(C2)C(=O)C(C)(C)C	SCHEMBL1174045,PC-id_58157684	268.332	VKGOUOIMPBKXAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036267
s1c2c(CCC2)c(c1NC(=O)CN)C(=O)OCC	PC-id_39177859	268.332	FKBLYVUXMRWYOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036268
c12sc(c(C#N)c1CCC2)N=Cc1c(O)cccc1	MCULE-8788176221	268.334	VIQITHIKIUQQSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036269
c1(C#N)c2CCCc2sc1N=Cc1ccc(cc1)O	MCULE-8775096239	268.334	FMVJXQIFVWTWBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036270
c1(C(=O)c2ccc(cc2)C#N)c2CCCc2sc1N	MCULE-2292056305,EMOLS-id_49824817,PC-id_86775265	268.334	VFLISJHRLQOZKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036271
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C#N	ZINC22_294819,ChEMBL-DNDi_CHEMBL1523093,PC-id_792994,TIMTEC153030,BAS-05265389,MCULE-1695940554,CHEMBL1523093,EMOLS-id_1465445,CoCoCo_333623,ChEMBL-DNDi_CHEMBL5107422,SCHEMBL15281388	268.334	FQJZYDMXWOHAEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036272
N#Cc1c(/N=C/c2ccc(O)cc2)sc2c1CCC2	ZINC22_243489,PC-id_135849177,EMOLS-id_330306905	268.334	FMVJXQIFVWTWBD-RQZCQDPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036273
Oc1ccccc1/C=N/c1sc2CCCc2c1C#N	EMOLS-id_26486255,CK2078248,PC-id_135473194	268.334	VIQITHIKIUQQSE-RQZCQDPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036274
s1c2CCCc2cc1C(=O)C(c1cccnc1)C#N	PC-id_80523732	268.334	UYRBHBYGXPWPDO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036275
s1c2CCCc2cc1C(=O)C(c1ccncc1)C#N	PC-id_80525079	268.334	FOOLNCKPSYQUET-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036276
s1c2CCCc2cc1C(=O)C(c1ncccc1)C#N	PC-id_78909334	268.334	YQJKXGHSVUXQCK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036277
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C#N	PC-id_8363386	268.334	NMGYVDMFABRQOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036280
s1c2CCCc2c(c1N/C=C/1C=CC(=O)C=C1)C#N	PC-id_6083174	268.334	MDZZWWPGCXTROH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-036281
s1c2CCCc2c(c1N/C=C
/C(=O)C=CC=C1)C#N	PC-id_6364976	268.334	WAQUSYNTTPMQOB-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-036282
s1c2CCCc2c(c1NC=C1C(=O)C=CC=C1)C#N	PC-id_6785439	268.334	WAQUSYNTTPMQOB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-036283
CCCNC(=O)ON=C1C(Sc2nccn12)(C)C	PC-id_88713694,SCHEMBL11044670	268.335	KHXWEQRXCQWGRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036284
CN1CC(CCC1=O)Nc1n[nH]c2c1S(=O)CC2	PC-id_89672641	268.335	OCACTXHWTUHFHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036285
N#C[C@@H](C(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111856841	268.335	KXHVAGZNTACNMX-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-036286
N#CC(N(S(=O)(=O)c1cnc2n1CCC2)C)(C)C	EMOLS-id_111853640	268.335	HAOVQHLDRIOSIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036287
O=C1CC[C@@H](CN1C)Nc1n[nH]c2c1S(=O)CC2	SCHEMBL15088379	268.335	OCACTXHWTUHFHF-QNUGLTPUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036288
s1c2CN(Cc2nc1N)CC(=O)N1CCOCC1	PC-id_82194264	268.335	XLZIIQQQCYPRRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036289
S1CCn2c(NC(=O)CC3CCOCC3)nnc12	PC-id_73292882	268.335	HGROQGKIHLLDFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036290
c12C(C(C)c3ccccc3)CN(C)c1c(n(C)c2)C=O	MCULE-9986083210,EMOLS-id_324780999	268.353	YBNUOIWOTYOXJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036291
c12n(C)c(cc1N(CC2C(C)c1ccccc1)C)C=O	MCULE-7741864124,EMOLS-id_324780487	268.353	HQBOAXUHCRLFQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036292
CC1CCc2c1c(C=O)nn2Cc1ccc(C)cc1C	EMOLS-id_330998271,MCULE-5291549042	268.353	VJRUVMXEHDDPTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036293
CC1CCc2c1c(C=O)nn2Cc1c(C)cccc1C	EMOLS-id_331004918,MCULE-3954592200	268.353	OAHAGIVHLOTEDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036294
CC1CCc2c1c(C=O)nn2Cc1cccc(C)c1C	EMOLS-id_331005174,MCULE-9756969579	268.353	INUKAYVTTVJZCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036295
CC1CCc2c1c(C=O)nn2Cc1cc(C)ccc1C	MCULE-9810560926,EMOLS-id_331004662	268.353	JZQGRNJIHCPQAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036296
CC1CCc2c1c(C=O)nn2Cc1cc(C)cc(C)c1	EMOLS-id_331004407,MCULE-7980721585	268.353	CUYOAEQLXMULFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036297
CC1CCc2c1c(C=O)nn2Cc1ccc(C)c(C)c1	MCULE-4938498871,EMOLS-id_331000830	268.353	QRCBWJRRBQUHJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036298
CC1CCc2nn(Cc3ccc(C)cc3C)c(C=O)c12	EMOLS-id_330982074,MCULE-1046492869	268.353	HQWNHCADGLEWHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036299
CC1CCc2nn(Cc3cc(C)ccc3C)c(C=O)c12	EMOLS-id_330988465,MCULE-8013522053	268.353	ONCMDMPQYAFSQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036300
CC1CCc2nn(Cc3c(C)cccc3C)c(C=O)c12	MCULE-1457461714,EMOLS-id_330988721	268.353	GGWMUYIXVUKFRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036301
CC1CCc2nn(Cc3cccc(C)c3C)c(C=O)c12	MCULE-8237508680,EMOLS-id_330988977	268.353	BEWOFELDDJZBKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036302
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(C=O)c12	EMOLS-id_330984633,MCULE-7327817653	268.353	SUITVWOXOVLIJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036303
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(C=O)c12	EMOLS-id_330988210,MCULE-8319865900	268.353	FQHWMJYGVCFKBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036304
CC(c1ccccc1C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986679,MCULE-3023902633	268.353	GJMVRIRXJVDKOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036305
CCc1ccccc1Cn1nc2CCC(C)c2c1C=O	MCULE-2520884018,EMOLS-id_330989233	268.353	IZEULHAFGVFDON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036306
CCc1ccccc1Cn1nc(C=O)c2C(C)CCc12	EMOLS-id_331005430,MCULE-7932827787	268.353	KLZVFNUMIIHEBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036307
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986163,MCULE-4073443136	268.353	OWCZZAWFTGOAQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036308
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988981,MCULE-2370244496	268.353	IPAZNAVUGWVIKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036309
CCc1cccc(Cn2nc3CCC(C)c3c2C=O)c1	MCULE-1404182751,EMOLS-id_330988466	268.353	VQFIQABSWNRXCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036310
CCc1cccc(Cn2nc(C=O)c3C(C)CCc23)c1	MCULE-7095368557,EMOLS-id_331004663	268.353	IXUYZAJZHQADME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036311
CCc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1	EMOLS-id_330984889,MCULE-8956341008	268.353	KMCUMAKBTPMGSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036312
CCc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1	MCULE-4368169077,EMOLS-id_331001086	268.353	LCIQLXNOVPGTRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036313
c12C(C)CCc1nn(Cc1cccc(c1)OC1CC1)c2	EMOLS-id_331000486,MCULE-4289507334	268.354	ZOFKXFMSVFSCMH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-036314
CC1CCc2c1cnn2Cc1cccc(OC2CC2)c1	EMOLS-id_331014633,MCULE-8119879413	268.354	KZXPBKKNDVCLIS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-036315
CC1CCc2c1c(O)nn2Cc1ccccc1C1CC1	EMOLS-id_330960628,MCULE-1804311704	268.354	LCYMMBBBDACGSJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-036316
CC1CCc2c1c(O)nn2Cc1cccc(c1)C1CC1	MCULE-9025823810,EMOLS-id_330959861	268.354	BWZRHUKTMBMEOR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-036317
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(O)c12	EMOLS-id_331006115,MCULE-1799695850	268.354	WMCPWIKUPJNIGJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-036318
CC1CCc2nn(Cc3ccccc3C3CC3)c(O)c12	MCULE-1911542204,EMOLS-id_331006882	268.354	YASGQWJSILRRPU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-036319
CC(COC1=Cc2c(C1)n(nc2)Cc1ccccc1)C	SCHEMBL17338795,PC-id_118578688	268.354	BMEXGQLBOZNEAJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-036320
CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328212850,MCULE-3876854581	268.354	IRASNADUNLGJHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036321
CN(C)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9296517300,EMOLS-id_328336538	268.354	PUELDWKOYJWMGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036322
c1(NC(=O)CS(=O)C)sc2CCCc2c1C#N	EMOLS-id_186616725,MCULE-6172371751	268.355	APEABFHLJFRTLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036323
O=S(=O)(Nc1sc2CCCc2c1C#N)C1CC1	EMOLS-id_322629445,MCULE-4498411333	268.355	HWSZURUMYQJFTH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-036324
C1CN([C@H](C1)c1ccccn1)Cc1[nH]nc2c1CCC2	CoCoCo_1295484,CoCoCo_1295488,CoCoCo_1295486,CoCoCo_1295482	268.357	CPEVWKYZWMQLPH-MRXNPFEDSA-N	00000010100000101001100010000000000000000000000000000000	25-01-036325
C1CN([C@@H](C1)c1ccccn1)Cc1[nH]nc2c1CCC2	CoCoCo_1295485,CoCoCo_1295481,CoCoCo_1295487,CoCoCo_1295483	268.357	CPEVWKYZWMQLPH-INIZCTEOSA-N	00000010100000101001100010000000000000000000000000000000	25-01-036326
Cc1cc2c(s1)C/C(=Cc1ccc(c(c1)C)C)/C2=O	SCHEMBL13114234	268.373	RGZUGGUJIZFBQI-RIYZIHGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036327
O=C(C1CC1c1ccccc1)c1sc2c(c1)CCC2	PC-id_113663146	268.373	HAXRTOMUYDGEKX-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-036328
O=C(c1sc2c(c1)CCC2)CC1Cc2c1cccc2	PC-id_113658872	268.373	VIIYIBUMGHPCQM-UHFFFAOYSA-N	00001010100000100000001010000000000000000000000000000000	25-01-036329
s1c2CC(=Cc3cc(c(cc3)C)C)C(=O)c2cc1C	PC-id_70840266	268.373	RGZUGGUJIZFBQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036330
c12c(CNC)csc1CN(C(=O)OC(C)(C)C)C2	EMOLS-id_331065122,MCULE-5552526242	268.375	MAJDGWWPLGPMRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036331
c1(C(=O)NCCCOCC)c2CCCc2sc1N	SPECS-id_AS-871/43360225,EMOLS-id_30269200,CoCoCo_6091801,PC-id_16435437,ZINC22_16742550,TIMTEC79848,MCULE-6888151787	268.375	BMSGXHODUWDDAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036332
c1(C(=O)OC(C)(C)C)c2CSCc2nn1C(C)C	EMOLS-id_324397147,MCULE-7559576064	268.375	QHDFUQAIOYSEBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036333
CCCCCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_315822562,PC-id_104288841	268.375	ZZQIXDVJHVOGPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036334
CCC(C(C)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_113395733	268.375	XHMVDRJDDIFWCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036335
CCCCCCNC(=O)n1sc2c(c1=O)CCC2	SCHEMBL10738702,PC-id_20159711	268.375	GEUICDYRJVZXMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036336
CCCCCN(c1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_315826144,PC-id_113395692	268.375	QCGUGUKZBDKPHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036337
CCCCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288554	268.375	GJJPDUKNGJYITG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036338
CC(CCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288693,EMOLS-id_314733194	268.375	NANXEJDFEVNMOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036339
CCC(CNc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_103466459	268.375	PBPBOKDPZSLFAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036340
CCCCN(c1nc2c(s1)CCC2C(=O)O)CC	PC-id_104287760,EMOLS-id_315825120	268.375	UBDOXUPHNXXBAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036341
CCC(CN(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104287850	268.375	PTUAQFGQNYSTKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036342
CC(CCN(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104288464,EMOLS-id_260180781	268.375	PHSAGTOMYHUJCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036343
CCCC(Nc1nc2c(s1)CCC2C(=O)O)CC	PC-id_104288562	268.375	LQWXGLGFGSZYLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036344
CC(CC(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395695	268.375	BVBHDOAIJVTJMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036345
CCCC(N(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395711	268.375	XGECPLOJPGAVNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036346
CCC(C(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395730	268.375	BXAHGITUCFHHJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036347
CC(C(CNc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395803	268.375	PDSCIJVEZMWUCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036348
CCCC(Nc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_113472058,EMOLS-id_315105135	268.375	AGYTUPQTACMBBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036349
CCC(CNc1nc2c(s1)CCC2C(=O)O)CC	PC-id_113511052,EMOLS-id_315006029	268.375	HKSFJCKEAJARDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036350
CCCCNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287527,EMOLS-id_314735581	268.375	ATKYQCJIRLCAHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036351
CC(C)CO[C@H](C)C(=O)Nc1nc2c(s1)CCC2	PC-id_94201576,ZINC22_49137231	268.375	ILGKLIQEBQNVKT-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036352
CC(C)CO[C@@H](C)C(=O)Nc1nc2c(s1)CCC2	ZINC22_49137228,PC-id_94201575	268.375	ILGKLIQEBQNVKT-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-036353
CCC(N(c1nc2c(s1)CCC2C(=O)O)C)CC	EMOLS-id_261135116,PC-id_104287983	268.375	OWXXOJMBQDDAJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036354
CCCN(c1nc2c(s1)CCC2C(=O)O)CCC	EMOLS-id_315824352,PC-id_113395675	268.375	MZRDZVAHOVDURP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036355
CCCN(c1nc2c(s1)CCC2C(=O)O)C(C)C	PC-id_104287826,EMOLS-id_314983762	268.375	CATBITQAQWUIDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036356
CCC(N(c1nc2c(s1)CCC2C(=O)O)C)(C)C	PC-id_104288816,EMOLS-id_315825889	268.375	QLEGOSKNBKODNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036357
CCC(Nc1nc2c(s1)CCC2C(=O)O)(CC)C	PC-id_106331945	268.375	DMDXREDJKSBENI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036358
CCC(N(c1nc2c(s1)CCC2C(=O)O)CC)C	PC-id_113395690	268.375	CBMAOCBWHDZZDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036359
CC(C(N(c1nc2c(s1)CCC2C(=O)O)C)C)C	PC-id_113395712	268.375	IXNXJSFAQJKCEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036360
CCCN(c1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_104287803	268.375	HWMRGOZTXLWZQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036361
CC(CNCCNC(=O)c1sc2c(c1)CCC2)O	EMOLS-id_314829688,PC-id_104593634	268.375	NZSFDECEYGGATO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036362
CC(COC(C(=O)Nc1sc2c(n1)CCC2)C)C	EMOLS-id_33310555,MCULE-4599885294,PC-id_47302422	268.375	ILGKLIQEBQNVKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036363
CCN(c1nc2c(s1)CCC2C(=O)O)CC(C)C	PC-id_104287793,EMOLS-id_261745358	268.375	XPHLMPFAOVGKLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036364
CCN(CCc1nc2c(s1)CCC2C(=O)O)CC	PC-id_104287349	268.375	CMZCCUHJYNRTSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036365
CCNC(=O)c1c(N)sc2c1C(C)(C)OC2(C)C	PC-id_79918886,EMOLS-id_314944251	268.375	SCAPFTPMYHATHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036366
CCOC(C)C(=O)NCCc1nc2CCCc2s1	PC-id_119066686,MCULE-4205244734,EMOLS-id_82721567	268.375	JXIACGSRRMGDIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036367
CCO[C@H](C)C(=O)NCCc1nc2c(s1)CCC2	ZINC22_426515505	268.375	JXIACGSRRMGDIW-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036368
CCO[C@@H](C)C(=O)NCCc1nc2c(s1)CCC2	ZINC22_426515506	268.375	JXIACGSRRMGDIW-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-036369
CCOC(=O)C1CCc2c1nc(s2)CCN(C)C	PC-id_104287222	268.375	RJCGAJSOBROIAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036370
CCOC(=O)C1CCc2c1nc(s2)NC(C)(C)C	EMOLS-id_315076768,PC-id_113395646	268.375	KHOZFCPYDBJXIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036371
CCOC(=O)C1CCc2c1nc(s2)NC(CC)C	PC-id_104287451	268.375	UUPPVCIJFLHQLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036372
CCOC(=O)C1CCc2c1nc(s2)N(CC)CC	PC-id_113395610	268.375	KTTWWVSRVUQQAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036373
CCOC(=O)C1CCc2c1nc(s2)NCC(C)C	PC-id_113395650,EMOLS-id_315822560	268.375	WDMLIZJBWQTHNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036374
CCOC(=O)C1CCc2c1nc(s2)N(C(C)C)C	PC-id_113395674	268.375	CGXMWBZLIBENBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036375
CN(C)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956545	268.375	DBZSNEBWWZWESG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036376
CNCC(CN(C(=O)c1sc2c(c1)CCC2)C)O	EMOLS-id_317936751	268.375	SZGDSZNTTBFQFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036377
CN(C(=O)c1c(N)sc2c1C(C)(C)OC2(C)C)C	PC-id_79916787,EMOLS-id_315470893	268.375	BMXSWHNONZBCRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036378
COCCC(C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_314856935,PC-id_62475419	268.375	DHSSLAXATVRVMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036379
COCCNCCNC(=O)c1sc2c(c1)CCC2	MCULE-1225919521,EMOLS-id_302016967,PC-id_82994180	268.375	GZJKQOWDQLCWOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036380
COCCNCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_315162306,PC-id_79282667	268.375	ZWCPSXDDJLOHIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036381
COCCNC(=O)CNCc1sc2c(c1)CCC2	EMOLS-id_314116881,PC-id_54956112	268.375	XQNSCBPDNLPSSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036382
COC(=O)C1CCc2sc(N)c(CCN(C)C)c12	EMOLS-id_337902122	268.375	DGJFMZBUEDUGKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036383
NCC(CC(=O)NCc1sc2c(c1)CCC2)OC	PC-id_103155467	268.375	WSWUUFPZBWPXNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036384
OCC1(C)CC(CN1Cc1sc2c(n1)CCC2)O	EMOLS-id_278259288	268.375	NNLFSOCCEBGJMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036385
OCC1(COC1)CNC(c1sc2c(n1)CCC2)C	PC-id_110017310	268.375	UJAAJLZIYNMTPP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036386
OCC1OCC(N(C1)Cc1sc2c(n1)CCC2)C	PC-id_109975467	268.375	FGCCCBRBNWMCGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036387
OC(COC1C(=N)Cc2c1ccs2)CNC(C)C	PC-id_140336468	268.375	QDKSUYMUAALPPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036388
OC(CO/N=C/1CCc2c1ccs2)CNC(C)C	SCHEMBL11267427	268.375	NHIJLZVARAROSE-NTCAYCPXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036389
OC(=O)C1CCc2c1nc(s2)N(CC(C)(C)C)C	EMOLS-id_314735517,PC-id_113395751	268.375	KUJLGJCWAAZTBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036390
OC(=O)C1CCc2c1nc(s2)NC(C(C)(C)C)C	PC-id_113458107	268.375	AIBKFOCTOSKJJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036391
OC(=O)C1CCc2c1nc(s2)NCCC(C)(C)C	PC-id_113510424,EMOLS-id_315984424	268.375	LXEKULVVOKRJLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036392
s1c2CCC(=NOCC(O)CNC(C)C)c2cc1	PC-id_12919197	268.375	NHIJLZVARAROSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036393
S1Cc2c(onc2C1)NC(=O)C(CCC)CCC	PC-id_49719021	268.375	ZSHSCFWVANMFFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036394
N#Cc1cccc(c1NCc1sc2c(c1)CCC2)C	PC-id_107111113	268.377	GUATZFQQPYFUEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036395
N#Cc1cc(C)ccc1NCc1sc2c(c1)CCC2	PC-id_107931273	268.377	RLBCHCXPPDXEKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036396
s1c2CCCc2cc1CNc1c(cc(cc1)C#N)C	PC-id_61208205	268.377	MLYGZJBBFQLVQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036397
s1c2CCCc2cc1CNc1cc(ccc1C#N)C	PC-id_62307095	268.377	JPKCZFJLBRCZFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036398
s1c2CCCc2cc1CNc1cc(c(cc1)C#N)C	PC-id_81273901	268.377	DVPCAKZRBAJJRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036399
s1c2c(CCC2)cc1CNCc1cc(ccc1)C#N	PC-id_61206641	268.377	HJQJORWGDTWUFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036400
s1c2c(CCC2)cc1CNCc1c(cccc1)C#N	PC-id_61207611	268.377	MNFGKGBEDDQRTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036401
s1c2c(CCC2)cc1CNCc1ccc(cc1)C#N	PC-id_61208937	268.377	FCVUHXZZPUJXQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036402
c12CN(Cc1sc(N)n2)C(C)C(=O)N(CC)CC	PC-id_82194255,MCULE-2537360359	268.378	CHJXDBLWKKCWTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036403
c1(nnc2SCCn12)NC(=O)C(CCC)CCC	CoCoCo_2590456,ChEMBL-DNDi_CHEMBLF2079-0010,CHEMBL1512291,PC-id_16031335,MCULE-5151901983,EMOLS-id_16349333	268.378	ZRLRJTZREKLVOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036404
S1(=O)CCC(NC(c2n3CCCc3nn2)C)CC1	PC-id_54981966	268.378	SXRZBENLFHXPOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036405
CSCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020417	268.382	FJAPAIAXAIYEIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036406
CC(C1Cc2c(C1)cc(s2)CC(=S)C(=O)O)C	SCHEMBL11533045	268.395	PXQJHETYXOQWFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036407
S(C(=C(C(=O)C1CCc2occc12)C)SC)C	PC-id_11184747	268.395	PUGMJSALPZWSJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036408
c12CC(Cc1n(cc2C(N)Cc1cccc(C)c1)C)C	MCULE-9346062651,EMOLS-id_324780495	268.397	FSBWKFRZBUCJPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036409
c12C(C)CCc1nn(Cc1ccc(cc1)C(C)(C)C)c2	EMOLS-id_330999204,MCULE-2966355978	268.397	KXFGFLGUNRTJJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036410
c12C(C)CCc1nn(Cc1ccc(cc1)CC(C)C)c2	MCULE-8213113067,EMOLS-id_330998948	268.397	RSZQOMHRPHSSRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036411
CC1CCc2c1cnn2Cc1ccc(cc1)C(C)(C)C	EMOLS-id_331017446,MCULE-9507132869	268.397	SWJWBPQNVZQIBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036412
CC(c1cc(C)c(C)cc1C)n1cc2C(C)CCc2n1	EMOLS-id_331001261,MCULE-7636018939	268.397	HKUYHZWQHDBPGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036413
CC(c1c(C)cc(C)cc1C)n1cc2C(C)CCc2n1	EMOLS-id_331001517,MCULE-5514375759	268.397	LCWPSSOYQVCNDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036414
CCCc1ccc(cc1)C(C)n1cc2C(C)CCc2n1	MCULE-1964637663,EMOLS-id_330997934	268.397	KTTNAKJXIPVHMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036415
CC(C)c1cccc(c1)C(C)n1cc2C(C)CCc2n1	MCULE-5016084267,EMOLS-id_331003040	268.397	ANOHNXWUEZSJJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036416
CC(C)c1ccc(cc1)C(C)n1cc2C(C)CCc2n1	MCULE-9657629548,EMOLS-id_331001773	268.397	BYMWTZZJWPUPIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036417
CC(C)Cc1ccc(Cn2ncc3C(C)CCc23)cc1	MCULE-2136578916,EMOLS-id_331017190	268.397	KUVOSFDFRBMVGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036418
CCC(C(=S)N)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_38083350,PC-id_61121079	268.398	KSMVEOKUWVGQLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036419
CC(C[N@@H+](CC(=O)/N=c/1[nH]c2c(s1)CCC2)C)C	GD-id_ZINC49442271	268.398	GMJYJKLUKAOTCQ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-036420
CC(C(=S)N)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_39248114,PC-id_62666315	268.398	IYOKDWNHIWVSKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036421
NC(=S)CCCNC(=O)c1sc2c(c1)CCC2	PC-id_55102264,EMOLS-id_39245823	268.398	QXUADYBXVIGXDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036422
NC(=S)CC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_38784373,PC-id_62094778	268.398	VPTYABZCZBOUTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036423
O=C(c1sc2c(c1)CCC2)NC(C(=S)N)(C)C	PC-id_61119438,EMOLS-id_38082214	268.398	GWFIHFLLNXAUGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036424
s1c2c(CCC2)cc1CNC(=O)C1NCSC1	PC-id_61208771	268.398	SSVVWUJRIDIDMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036425
s1c2CCCc2cc1C(=O)N(CC)CC(=S)N	PC-id_61900666	268.398	OCWZHFBYYTYDRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036426
s1c2CCCc2cc1C(=O)N(CCC(=S)N)C	PC-id_28387729	268.398	KCHCAHXMBZFBIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036427
s1c2CCCc2cc1C(=O)N(C(C)C(=S)N)C	PC-id_61886434	268.398	KFSYFDVQGBJDDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036428
SCC1(CC1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_107025683	268.398	GLUVCGNXMLUDPD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036429
CCCCC(C1(CCCC)Oc2c(O1)csc2)C	PC-id_141058646	268.415	IIBSNBYNMBZXBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036430
CCCCCCCCCCc1csc2c1OCO2	PC-id_142758556	268.415	VACGZURSLNUHHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036431
CC(c1sc2c(n1)CCC2)NCC(C(C)(C)C)O	PC-id_109908766	268.418	ZUELJZNCSWNXDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036432
CC(c1sc2c(n1)CCC2)NCC(C(C)C)(O)C	PC-id_109908762	268.418	BJDSGKNWZOTHHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036433
CCC(c1nc2c(s1)C(OC2(C)C)(C)C)(CC)N	EMOLS-id_315473710,PC-id_79918898	268.418	QAWSTXFUUMLUCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036434
CC(CC(CNC(c1sc2c(n1)CCC2)C)C)O	PC-id_109908778	268.418	WEYRENBWIUCGHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036435
CCC(C(CNC(c1sc2c(n1)CCC2)C)O)C	PC-id_109908765	268.418	WJMGVCJWYLWGAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036436
CC(CC(CNC(c1sc2c(n1)CCC2)C)O)C	PC-id_110017272	268.418	ZCMDXDLACNOLIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036437
CCC(C(CNCc1sc2c(n1)CCC2)O)CC	PC-id_109948574	268.418	UEPFOZYPFCQXAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036438
CCC(C(CNCc1sc2c(n1)CCC2)(O)C)C	PC-id_109948582	268.418	BZQCEESUXYPHEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036439
CCC(CNC(c1sc2c(n1)CCC2)C)(CC)O	PC-id_109908745	268.418	HZGPHIWFYYUQKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036440
CCC(CNCc1sc2c(n1)CCC2)(CO)CC	PC-id_109948767	268.418	YZERBVRZKYYSMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036441
CC(CNCc1nc2c(s1)C(OC2(C)C)(C)C)C	EMOLS-id_314692487,PC-id_79927066	268.418	DNSQRZWBEBCMRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036442
CCCNC(c1sc2c(n1)CCC2)(CCOC)C	EMOLS-id_314516988,PC-id_61872794	268.418	VVXUUMNTUZHSPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036443
CCCNC(c1sc2c(n1)CCC2)C(COC)C	PC-id_116502430	268.418	DPEKKCPZQPEEJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036444
CCCNC(c1sc2c(n1)CCC2)(COC)CC	EMOLS-id_315231947,PC-id_64395538	268.418	PAOHCDXMXJEPHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036445
CCCNC(c1sc2c(n1)CCC2)(C(OC)C)C	PC-id_116161215	268.418	RYHPCYFEYNOEIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036446
CC(NCc1nc2c(s1)C(OC2(C)C)(C)C)(C)C	EMOLS-id_314653558,PC-id_79917257	268.418	BZJMJRDAFUHULJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036447
CCNC(c1sc2c(n1)CCC2)(C(C)C)COC	EMOLS-id_315481534,PC-id_80410928	268.418	SIVMZOVPMYBYNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036448
CCNC(c1sc2c(n1)CCC2)CC(OC)(C)C	PC-id_113863422	268.418	CNFTWNNJPGOTDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036449
CCOCC(c1sc2c(n1)CCC2)(NCCC)C	PC-id_116247855	268.418	OXJNGXGZQBIRDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036450
CCOCC(c1sc2c(n1)CCC2)(NC(C)C)C	PC-id_116247862	268.418	SMBHBJQCWUIBDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036451
COC(C(c1sc2c(n1)CCC2)(NC(C)C)C)C	PC-id_116161222	268.418	PYLLRNYGVFXFBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036452
COCC(c1sc2c(n1)CCC2)(NC(C)C)CC	PC-id_64395977,EMOLS-id_314933014	268.418	CJSAMACILDXBLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036453
COCC(C(c1sc2c(n1)CCC2)NC(C)C)C	PC-id_116502437	268.418	WLXBPFBNJFPITO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036454
COC(CC(c1sc2c(n1)CCC2)(NC)C)(C)C	PC-id_61332741,EMOLS-id_314066919	268.418	LALBMVRYQZJYEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036455
COCCC(c1sc2c(n1)CCC2)(NC(C)C)C	PC-id_61870336,EMOLS-id_314178925	268.418	UZYWJHGBZXDVPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036456
COCCNC(c1sc2c(n1)CCC2)CC(C)C	EMOLS-id_314183939,PC-id_55084685	268.418	BJNMOJLDWKSMDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036457
COCCNC(c1sc2c(n1)CCC2)(CCC)C	EMOLS-id_314184195,PC-id_62542107	268.418	MFPXRQJFYBGSNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036458
COCCNC(c1sc2c(n1)CCC2)(C(C)C)C	EMOLS-id_314562762,PC-id_62541934	268.418	AWRUTZAVNOAYJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036459
COCCNC(c1sc2c(n1)CCC2)(CC)CC	EMOLS-id_314885282,PC-id_62542099	268.418	MLGZCGBPDCMKTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036460
COCCNC(C(C)(C)C)c1sc2c(n1)CCC2	EMOLS-id_314187522,PC-id_62541927	268.418	PEDSAMHEXJSJGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036461
COCCNCCCNCc1sc2c(c1)CCC2	PC-id_104424297	268.418	XVSOMGOPUMHWBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036462
COCCNCC(NCc1sc2c(c1)CCC2)C	PC-id_104397685	268.418	NIDJDAPVDUCUMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036463
COCCNCCN(Cc1sc2c(c1)CCC2)C	PC-id_113409320	268.418	SSAFAUHHTFYWTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036464
NC(C(C)(C)C)c1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79917429,EMOLS-id_315469871	268.418	JYBZDRUCPVKKNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036465
NCCCC(NCc1sc2c(c1)CCC2)COC	PC-id_113810566	268.418	PVANKLZBSXRPFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036466
NNC(c1sc2c(c1)CCC2)CCC(OC)(C)C	PC-id_103026377	268.418	COABPYDVDVOAPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036467
OCC(CC(C)(C)C)NCc1sc2c(n1)CCC2	PC-id_109948744	268.418	VYUUNFQRNRLOGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036468
OCCC(C(C)C)NC(c1sc2c(n1)CCC2)C	PC-id_109908792	268.418	SFYLDJXCNFOFAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036469
OCCC(CNC(c1sc2c(n1)CCC2)C)(C)C	PC-id_109908797	268.418	APTJBLDOFIUYKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036470
OCCC(CNC(c1sc2c(n1)CCC2)C)CC	PC-id_109908803	268.418	NLCZUHLIIHQHBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036471
s1c2CCCc2nc1C(NCCOC)CCCC	PC-id_62541926	268.418	LKEXBILJEUQCEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036472
s1c(nc2c1CCC2)C(NCCOC)C(CC)C	PC-id_55084640	268.418	SKSQCJCVEDHYCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036473
[Si]1(OC(c2c1c(oc2)OC)(C)C)(C(C)C)C(C)C	PC-id_10683360	268.424	RGZGHHRQIPAVKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036474
CCCCC(CC)C(=O)c1cc2CSCc2s1	MCULE-1202697339,PC-id_86333443,SCHEMBL12931074,EMOLS-id_44469758	268.438	QECXUUREYNIHHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036475
CCCC[C@@H](CC)C(=O)c1cc2c(s1)CSC2	ZINC22_85223819	268.438	QECXUUREYNIHHP-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036476
CCCC[C@H](CC)C(=O)c1cc2c(s1)CSC2	ZINC22_85223821	268.438	QECXUUREYNIHHP-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-036477
CCNC(c1sc2c(n1)CCC2)C1CCSC1	PC-id_113921384	268.441	YDSHOOCNRRVIMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036478
CNC(c1sc2c(n1)CCC2)C1CCCSC1	PC-id_114283074	268.441	ZHLOFCBRWWJRRR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036479
s1c(nc2c1CCC2)C(NC1CC1)CCSC	PC-id_61333903	268.441	RFEMXJDAFFCPKP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036480
C[Si](c1sc(c2c1CCC2)[Si](C)(C)C)(C)C	PC-id_145767382	268.566	IUXPJZURKCBPSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036481
Clc1oc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_33040985	268.719	YNJSHNUECNTPMH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-036482
Clc1sc(C(=O)Nc2onc3CCCc23)cc1	PC-id_16942302	268.719	DHIUBTPPMLYQIE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-036483
O=C(c1ccoc1Cl)Nc1sc2c(n1)CCC2	PC-id_106686629	268.719	GNZUAGJIWLVOQG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-036484
C1Cc2c(C1)sc(n2)Nc1c(c(=O)[nH]cn1)Cl	PC-id_136971057	268.723	FOPJKWBDMHWWRE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-036485
O=C(N=c1cc2n([nH]1)CCC2)c1nc(Cl)cs1	ZINC22_1875274464	268.723	AOMHGSAMACHBGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036486
Clc1n(nc2c1CSC2)Cc1ccc(F)cc1	PC-id_83192667	268.738	IXTODHNKPHQZQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036487
Clc1n(nc2c1CSC2)Cc1cc(F)ccc1	PC-id_83192668	268.738	ITKSVEJNNCORAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036488
Fc1ccc(cn1)NC1CCc2c1cc(s2)Cl	PC-id_108201564	268.738	QGYZSULZLVURDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036489
Fc1cccc(n1)NC1CCc2c1cc(s2)Cl	PC-id_113567460	268.738	DKFIVUNIDMCKLK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036490
Cc1cnc(o1)CNC1CCc2c1cc(s2)Cl	PC-id_106369762	268.762	DPDNEXAZUIXQSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036491
Clc1cnn(c1C(c1sc2c(c1)CCC2)O)C	PC-id_113665391	268.762	VUBFWFZRAXWZRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036492
Clc1sc2c(C(NCc3noc(c3)C)CC2)c1	PC-id_81252498	268.762	ZMYLAZNEWYYAQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036493
Clc1sc2c(C(NCc3onc(c3)C)CC2)c1	PC-id_81252803	268.762	CYDXPPVYAYJGGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036494
ClCCCC(=O)Nc1c(C#N)c2c(CCC2)s1	PC-id_4468849,EMOLS-id_2896572,CoCoCo_3705719,CK2060509,GD-id_ZINC05224727,MCULE-6383031282	268.762	ZSRDVKFVFBZPDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036495
ClCC(C(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_55111035,EMOLS-id_39326652	268.762	YFQYXIFZGBEIRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036496
Clc1cc2c(s1)CCC2NCCn1ccnn1	PC-id_104100343	268.766	ULGZWLIPRAJESR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036497
Clc1cnc(n1C)C(c1sc2c(n1)CCC2)N	PC-id_114239395	268.766	VQMRAONFXIZHAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036498
Clc1sc2c(c1)C(CC2)NC(c1ncn[nH]1)C	PC-id_106281915	268.766	LHKUHXZDQICIQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036499
Clc1sc2c(C(NCc3n(cnn3)C)CC2)c1	PC-id_81252494	268.766	PIRORSVLNKFZIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036500
Clc1sc2c(C(NCCc3[nH]ncn3)CC2)c1	PC-id_81251627	268.766	QJXJNSCQCUXZFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036501
Cn1cnc(n1)CNC1CCc2c1cc(s2)Cl	PC-id_113349422	268.766	OPQIGQLQIFRLCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036502
CC(C1CCCOC1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958519,MCULE-9268039241	268.782	KJCYHVLUQXCZLK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036503
CC(C1CCOC1)n1nc2CCC(C)c2c1CCl	MCULE-4386189196,EMOLS-id_331007677	268.782	JYLRGYQGWBPNNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036504
CC(C1CCOCC1)n1nc2CCC(C)c2c1Cl	MCULE-5388579795,EMOLS-id_330958007	268.782	UCEFXFRQSRATRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036505
Clc1ccc(s1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37654441,PC-id_43463075	268.782	YLZLIPBNRFPQTQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-036506
Clc1ccsc1C(=O)c1sc2c(c1)CCC2	PC-id_80529789,EMOLS-id_315482606	268.782	LYMMCWBWTLZUBB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-036507
Clc1nc2n(c1/C=Cc1cccs1)CCS2	CoCoCo_5751459	268.786	QEXUHMPMFQBPQQ-ARJAWSKDSA-N	00000010100100000001000010000000000000000000000000000000	25-01-036508
Clc1nc2n(c1/C=C/c1cccs1)CCS2	PC-id_5469192,CoCoCo_5751458	268.786	QEXUHMPMFQBPQQ-ONEGZZNKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-036509
Clc1nc2SCCn2c1C=Cc1sccc1	PC-id_10378367	268.786	QEXUHMPMFQBPQQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-036510
ClC(c1sc2c(CCC2)c1)c1sc(cc1)C	PC-id_63431016	268.825	PVBGQDBYFIURGD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-036511
ClC(c1sc2c(CCC2)c1)Cc1ccsc1	PC-id_63017562	268.825	NLNXHFLIOKPGCC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-036512
ClC(c1sc2c(CCC2)c1)Cc1sccc1	PC-id_63016075	268.825	ZYWBTFZBMHHMOI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-036513
BrCc1c2CCCc2oc1C(F)(F)F	PC-id_83610559	269.058	FLRMTAKTQZJWMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036514
FC(F)(F)Cn1nc2CCCc2c1Br	EMOLS-id_317869053,MCULE-6006733313	269.062	PRTKZQMOTHNBQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036515
FC(F)(F)Cn1nc(Br)c2CCCc12	MCULE-2434233662,EMOLS-id_324387664	269.062	ODJKZPZFBHKYJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036516
C1CC2=NC=C(N2C1)S(=O)(=O)NC(=O)CC3CC3	EMOLS-id_110389620,PC-id_154789688	269.083	DFDDYLGICRQXRA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036517
CC(CN(C)S(=O)(=O)N1CCN2C1=NC=C2)C#N	EMOLS-id_317735616,MCULE-4827727845,PC-id_154785548	269.095	ZJSJFBKTLDJSTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036518
C1CC2=C(C=CN2C1)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154663320	269.096	RUKRNOHFKAWBKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036519
C1Cn2c(ccc2C1C(=O)O)CC(=O)c1ccccc1	PC-id_164075746	269.105	WTFKKCFXSDIOJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036520
[se]1c2CCCc2sc1=[SeH]	PC-id_85856848	269.105	BSPBBZACMNFEBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036521
FC(F)Cn1nc2CSCc2c1Br	EMOLS-id_324398680,MCULE-7603534202	269.11	LKZKJDHDVHTODB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036522
B(c1cc2c(s1)CN(C2)C(=O)OC(C)(C)C)(O)O	SCHEMBL15332062,PC-id_89859893	269.125	ZDTZKYDXPVBTOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036523
O=C(N1Cc2c(C1)csc2B(O)O)OC(C)(C)C	PC-id_67451960,SCHEMBL2559166	269.125	MBOXLHZOBWCJCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036524
CC(C)(C)N1CC2=C(C1=O)C=NN2CC3=CC=CC=C3	PC-id_154637367	269.153	HODJPGBPFOBIIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036525
Brc1nn(CC2CCCC2)c2CCCc12	MCULE-9115964077,EMOLS-id_324386399	269.181	XFVCEDIUPXUGTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036526
c12C(C)CCc1n(nc2Br)CC1CCC1	EMOLS-id_330972406,MCULE-2780334214	269.181	UZAWFWXVDUPDDC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036527
CC1CCc2c1c(CBr)nn2CC1CC1	MCULE-8467833865,EMOLS-id_331032331	269.181	WGGMJEFAYVLUCR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036528
CC1CCc2nn(CC3CC3)c(CBr)c12	MCULE-3113310502,EMOLS-id_331016634	269.181	AMLGRUFXXRHJBA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036529
CC1CCc2nn(CC3CCC3)c(Br)c12	MCULE-9340867284,EMOLS-id_331021224	269.181	XSFMULIDRZEUOC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036530
CC(C1CC1)n1nc2CCC(C)c2c1Br	MCULE-7211602466,EMOLS-id_331021984	269.181	JKZZHCCVSJBYCJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036531
C=CC1CC(c2c1c(nn2CC(=O)O)N=[N+]=[N-])(F)F	PC-id_134467224	269.208	MPQMLYDFQYSIOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036532
C=C[C@H]1CC(c2c1c(N=[N+]=[N-])nn2CC(=O)O)(F)F	SCHEMBL20104870	269.208	MPQMLYDFQYSIOZ-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036533
C=Cc1cc2c([se]1)C(N(C2(C)C)[O])(C)C	PC-id_101507345	269.222	XJODTWZKGGXJJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036534
FC(c1ccc(nc1)OC1CCn2c1ncc2)(F)F	PC-id_117062349	269.223	XDWUUJWEDDGXHW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-036535
FC(c1ccnc(c1)OC1CCn2c1ncc2)(F)F	PC-id_117062350	269.223	QXYDAWVWTIVBHS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-036536
FC(Cn1c2CNCc2nc1S(=O)(=O)C)(F)F	PC-id_118614192,SCHEMBL17380457	269.244	OBXINTPUVPBSEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036537
CC(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])OC(=O)C	PC-id_139991191	269.254	QXHKAYWYAKUHKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036538
CC(=O)OCCCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_23081203,SCHEMBL5537160	269.254	FRMZEPCEFBQHTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036539
COCCN(C(=O)c1nn2c(c1)OCC2)CC(=O)O	EMOLS-id_278684368	269.254	FZLVHOAWRILFIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036540
c1(=CC(=O)Nc2ccc(cc2)C)c(O)nc2ncnn12	PC-id_73373284,MCULE-6512326383	269.259	OQOBQXHUFMHEQU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-036541
c1(=CC(=O)Nc2cccc(C)c2)c(O)nc2ncnn12	MCULE-3806399254,PC-id_73654194	269.259	GVWSQXXPCQBGQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-036542
Cc1cccc(NC(=O)/C=c/2c(O)nc3ncnn23)c1	ZINC22_9287442,PC-id_135727169	269.259	GVWSQXXPCQBGQI-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-036543
Cc1ccc(NC(=O)/C=c/2c(O)nc3ncnn23)cc1	PC-id_135727167,ZINC22_9287436	269.259	OQOBQXHUFMHEQU-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-036544
Cc1sc(c2c1C(=NS2(=O)=O)C(F)(F)F)C	SCHEMBL17339815,PC-id_118579471	269.264	PIMNOIBFKLETJZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-036545
O=C(c1sccc1C(F)F)N1Cc2c[nH]nc2C1	MCULE-2810019220,EMOLS-id_313171790,ZINC22_823081892	269.27	VZSIJYKUGWBVHG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-036546
CC1CN(CC(O1)C)C(=O)c1nn2CCOc2c1F	PC-id_91960106	269.272	MPSPHMTVMGLHIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036547
OC1CCC(CC1)NC(=O)c1nn2c(c1F)OCC2	PC-id_100815419	269.272	DBTULTZCZZFGOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036548
s1c2c(CCC2=O)c(c1NC(=O)OC)C(=O)OC	PC-id_16639326	269.274	DAUWRUCSYZJNTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036549
c1(NC(=O)C(=O)NN)sc2c(CCC2)c1C(=O)O	STOCK6S-16625,MCULE-4809684779,EMOLS-id_4749687,PC-id_8072234	269.277	SXPZJVCOIPIAPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036550
Cc1onc(n1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705310	269.28	MNCFGEYIQAUMGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036551
O=C1NCCN(C1)S(=O)(=O)n1cc2c(n1)CN=C2	PC-id_141414360	269.28	URRLLEBRQLDJIW-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-036552
CC1CN(CCC1(F)F)C(=O)c1occ2c1CCC2	EMOLS-id_102452883	269.287	LBADLJVYVJOMDO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-036553
CC1CN(CCC1(F)F)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102380757	269.29	TUUQQIIDADZPRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036554
CN(/C=C
/Cc2c(C1=O)c(n(n2)C(F)F)C(C)C)C	PC-id_142345789	269.29	JDVTZHDJIAIYMT-VURMDHGXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036555
O=C(C1(CC1)C(F)(F)C)NCc1cnc2n1CCC2	EMOLS-id_319522590	269.29	XEKRNEHTZMDWIU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036556
O=C(C1(C)CC(C1)(F)F)NCc1cnc2n1CCC2	MCULE-6707304089,EMOLS-id_320036073	269.29	WWORZRYCOUHOJW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036557
O=C(c1n[nH]c2c1CCC2)NCCC1CC(C1)(F)F	EMOLS-id_101494659	269.29	QYOVQYIEMCHRNJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036558
O=C(CC1CC(C1)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318829413	269.29	OAVOLBCFLBASRK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036559
O=C(NCc1n[nH]c2c1CCC2)CCC1CC1(F)F	EMOLS-id_319052550	269.29	HCEJLWDDUWSGIM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036560
C1(=O)C/C(=C(C)/c2ccc(c(c2)O)OC)/n2c1ccc2	PC-id_45277752,GD-id_ZINC49049572,CHEMBL1076881	269.295	GQBYMPAYRLCNTP-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036561
Cc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	CHEMBL355640,SCHEMBL11603510,PC-id_13780970	269.295	WKLDPSRLGSAAPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036562
Cc1ccccc1C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11532665,PC-id_13487031,CHEMBL9299	269.295	XZDNBSYTXJNDNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036563
Cc1cccc(C(=O)c2ccc3n2CCC3C(=O)O)c1	PC-id_13487033,SCHEMBL10961188,CHEMBL9009	269.295	LFWWQGPJDNWIGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036564
Cc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	CHEMBL9002,PC-id_13487034,SCHEMBL9382190	269.295	UWNKAFVMCAEKRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036565
CC1(C(=O)O)CCn2c(C(=O)c3ccccc3)ccc12	CHEMBL268524,PC-id_13487091,SCHEMBL16017820	269.295	COYXTYZCEMYRIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036566
CCc1ccc(cc1)C(=O)c1cc2c(n1C)CC(=O)O2	SCHEMBL7678452,PC-id_9838287	269.295	NXSCMWJCYXXSOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036567
CCn1c2c(cc1C(=O)c1ccccc1)OC(=O)C2C	SCHEMBL7675515,PC-id_54011846	269.295	KSXKULWJBJLYDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036568
COC(=O)c1cc2c(n1Cc1ccccc1)CC(=O)C2	PC-id_70805965,SCHEMBL12951909	269.295	XTPDPPWYRLLMFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036569
COC(=O)c1cc2c([nH]1)CC(C2=O)Cc1ccccc1	SCHEMBL1004076,PC-id_59180114	269.295	MZAJTYLFDTXWDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036570
COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_9921553,EMOLS-id_193070103,SCHEMBL9387346,MCULE-4713147465	269.295	GREBGQSAVFHEAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036571
COC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_71587659,ZINC22_67665154	269.295	GREBGQSAVFHEAD-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036572
COC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_67665153,PC-id_71587658	269.295	GREBGQSAVFHEAD-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036573
O1c2c(n(c(c2C)C(=O)c2ccccc2)C)C(C1=O)C	SCHEMBL7682007,PC-id_54432584	269.295	WINMUASZZLRRAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036574
O1c2c(n(c(c2C)C(=O)c2ccc(cc2)C)C)CC1=O	SCHEMBL7674741,PC-id_18424254	269.295	KKBHIBSXJJTLFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036575
O1c2c(n(c(c2C)C(=O)c2c(cccc2)C)C)CC1=O	SCHEMBL7678058,PC-id_18424150	269.295	TVFVFIDKIHBLQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036576
O1c2c(n(c(c2)C(=O)c2ccc(cc2)C)C)C(C1=O)C	SCHEMBL7678067,PC-id_54057029	269.295	LWYZIUMYSUCEFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036577
O1c2c(n(c(c2)C(=O)c2cc(c(cc2)C)C)C)CC1=O	SCHEMBL7676782,PC-id_9838288	269.295	DYBULUORULRRLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036578
O=C1c2n(CC1)c(cc2)C(=O)c1c(OCC)cccc1	PC-id_85574760	269.295	UUTNYQQHFAREND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036579
O=C1c2[nH]c(c(c2CC1)C)C(=O)OCc1ccccc1	PC-id_21728404	269.295	CMXCJTPQLOFZTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036580
O=C1C(=Cc2cc(OC)c(OC)cc2)Cn2c1ccc2	PC-id_85574757	269.295	XQWUMVKDIIMGFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036581
O=C1CC(=C(c2cc(O)c(OC)cc2)C)n2c1ccc2	PC-id_75109245	269.295	GQBYMPAYRLCNTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036582
O=C(c1n(c2c(CCC2)c1)Cc1ccccc1)C(=O)O	PC-id_10445782	269.295	NLNJXBFALIGGNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036583
O=C(Cc1ccccc1)c1ccc2n1CCC2C(=O)O	PC-id_13487073,CHEMBL9246	269.295	XOZFTVSEOGHXKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036584
O=C(CC1CC(=O)c2c1c[nH]c2)OCc1ccccc1	PC-id_101561823	269.295	XJBSDKXVUFYPEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036585
OC(=O)C1CCc2c1cn(c2C(=O)c1ccccc1)C	PC-id_10468289	269.295	BJRCTUMFEIEUFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036586
O(C(=O)C1Cn2c(C1)ccc2C(=O)c1ccccc1)C	PC-id_13487018	269.295	RKGGTTDUPKPNGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036587
OCCn1[nH]c2c(c1=O)CN(C2)C(=O)OC(C)(C)C	PC-id_105517886	269.297	AJSPXEQAAMYHOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036588
Oc1ccc(cc1)C1(CC1)C(=O)N1Cc2c(C1)cn[nH]2	MCULE-1763362214,EMOLS-id_320097886	269.298	LJFQJFKMPGHCGL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-036589
c1(C(=O)Nc2ccc(cc2)C(=O)C)c2CCCc2[nH]n1	EMOLS-id_179744843,PC-id_110388925,MCULE-7706498721	269.299	VWDNJWFDMUXRQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036590
c1(C(=O)Nc2ccc(cc2)C(=O)C)cn2c(CCC2)n1	MCULE-8257878681,EMOLS-id_321297371	269.299	VSTJAYKRWHUNAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036591
c1(C(=O)Nc2cccc(C(=O)C)c2)c2CCCc2[nH]n1	EMOLS-id_179744840,PC-id_110388924,MCULE-6622721466	269.299	JKYISVHNMLFDTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036592
c1(C(=O)Nc2cccc(C(=O)C)c2)cn2c(CCC2)n1	EMOLS-id_321297115,MCULE-2091019860	269.299	REXFOWWCBATVKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036593
Cn1nc(Cn2cccc2)c2c1CN(C(=O)CC#N)C2	PC-id_97405307,ZINC22_96084481	269.302	QTCMMCBRAIRRIM-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-036594
N#Cc1cc(c([nH]1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319729988	269.302	BQGTXZVCNQBCMQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-036595
N#Cc1cc(NCc2cnc3n2CCC3)cnc1OC	EMOLS-id_320057595,MCULE-6402222088	269.302	UVAAQEDLTYVPOR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-036596
N#Cc1cc(NCc2cnn3c2CCC3)cnc1OC	EMOLS-id_320135086,MCULE-2118076119	269.302	KNMDTBZOZVSGIH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-036597
O=C1c2ncnn2C(C1=Cc1ccnn1CC1CC1)C	EMOLS-id_278712941	269.302	OLOBNSQFZXOWPU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036598
O=C(c1cc2c([nH]1)ccn2C)N1Cc2c(C1)cnn2C	EMOLS-id_319999441,MCULE-1403631775	269.302	WDGNCZSHORWKRN-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-036599
O=C(c1[nH]c2c(c1)n(cc2)C)NC1CCn2c1cnc2	EMOLS-id_319372194	269.302	GWTKPGKNBCRWED-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-036600
O=C(N1CCn2c1ncc2)c1ccc(nc1)NC1CC1	EMOLS-id_316585152	269.302	KUCALAIZRDEPKS-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-036601
O=C(NN=C(c1cccnc1)C)c1n[nH]c2CCCc12	PC-id_3549144	269.302	SWWQKKZZCCZQIG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-036602
O=C(NN=C(c1ccncc1)C)c1n[nH]c2CCCc12	PC-id_3978245	269.302	MRSUEJYVHHNKKQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-036603
c1(cn(nn1)Cc1c2CCCc2[nH]n1)c1nccn1C	ZINC22_91737787,MCULE-5139567634,PC-id_72842204,EMOLS-id_46028355	269.305	JUECQVBEKTVCFR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-036604
c12CN(Cc1scc2C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_331066657,MCULE-7294741122	269.317	MLYLJHBRTUJJGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036605
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)OC	PC-id_2956098,EMOLS-id_2027471,ZINC22_4342203,MCULE-3274799105,CoCoCo_996093	269.317	XIWPARVJPGUTJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036606
c1(NC(=O)OCC)sc2c(CCC2)c1C(=O)OC	CoCoCo_901158,PC-id_2932100,EMOLS-id_2198617,TIMTEC239787,MCULE-9151007169,ZINC22_4894434	269.317	JJLDRQUPIIAPBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036607
c1(NC(=O)OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2253256,PC-id_2862852,MCULE-5550002119,SPECS-id_AK-968/11992994,CHEMBL1365120,CoCoCo_684744,ZINC22_4197732,TIMTEC411305	269.317	QSNOFQKVGKRDJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036608
CC1CCc2c1c(nn2Cc1ccc(C)cc1F)C#N	EMOLS-id_331018482,MCULE-4874915917	269.317	YCCIVRVPPKOHFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036609
CC1CCc2c1c(nn2Cc1cc(C)ccc1F)C#N	EMOLS-id_331020786,MCULE-3201187952	269.317	XDZJGUTZMQFUNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036610
CC1CCc2c1c(nn2Cc1cccc(C)c1F)C#N	MCULE-3119933487,EMOLS-id_331021042	269.317	MESJCRDVKQVYSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036611
CC1CCc2c1c(nn2Cc1ccc(C)c(F)c1)C#N	EMOLS-id_331022321,MCULE-2765609225	269.317	KZFGQYSOWATIAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036612
CC1CCc2c1c(nn2Cc1cccc(F)c1C)C#N	MCULE-6124612518,EMOLS-id_331019251	269.317	CSMGCFDWSNSVDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036613
CC1CCc2c1c(nn2Cc1ccc(F)cc1C)C#N	EMOLS-id_331018994,MCULE-9171352064	269.317	NEMROPCMEOWCTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036614
CC1CCc2c1c(nn2Cc1ccc(F)c(C)c1)C#N	EMOLS-id_331018738,MCULE-9645338958	269.317	MVZUIXHEKFYPFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036615
CC1CCc2c1c(nn2Cc1cc(F)ccc1C)C#N	EMOLS-id_331019507,MCULE-3564519434	269.317	SQRZNRNEYQEYSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036616
CC1CCc2nn(Cc3ccc(C)cc3F)c(C#N)c12	EMOLS-id_330999228,MCULE-3312228364	269.317	OVJIGWCEOORXMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036617
CC1CCc2nn(Cc3cc(C)ccc3F)c(C#N)c12	EMOLS-id_331001532,MCULE-2151223614	269.317	JTLPAHZKEVMIAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036618
CC1CCc2nn(Cc3cccc(C)c3F)c(C#N)c12	EMOLS-id_331001788,MCULE-1109432268	269.317	DKUPWJQUFWBBDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036619
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(C#N)c12	MCULE-9600039332,EMOLS-id_330998972	269.317	DZXNQOHQKNGOAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036620
CC1CCc2nn(Cc3cccc(F)c3C)c(C#N)c12	EMOLS-id_330999997,MCULE-6201219678	269.317	HGBNFXWBEHETNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036621
CC1CCc2nn(Cc3ccc(F)cc3C)c(C#N)c12	EMOLS-id_330999740,MCULE-5917848614	269.317	DCBNDJVBCRBJOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036622
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(C#N)c12	EMOLS-id_330999484,MCULE-8894769701	269.317	KHTYPSSLBWISOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036623
CC1CCc2nn(Cc3cc(F)ccc3C)c(C#N)c12	EMOLS-id_331000253,MCULE-9759910865	269.317	YTDVGTPYMHZYBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036624
CC(c1ccccc1F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004601,MCULE-1947632466	269.317	BSKNSNSQOXWBGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036625
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003831,MCULE-4890537815	269.317	NEPNIEURGQLNLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036626
CC(C)(C)OC(=O)N1Cc2cc(C(=O)O)sc2C1	ZINC22_96946000,MCULE-4549279912,PC-id_82379362,EMOLS-id_84834783	269.317	RGOGFBDIGFXKST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036627
CC(C)(C)OC(=O)N1CCc2sc(cc12)C(=O)O	ZINC22_95698592,PC-id_82379361,EMOLS-id_45956861,MCULE-5514440601	269.317	OYSQLONLVJUCKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036628
CCOCC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_314108928,PC-id_43328009	269.317	NHPARNWTDIKNSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036629
C[C@@](O)(CNC(=O)c1cc2c(s1)CCC2)C(=O)O	ZINC22_90275445	269.317	KSXGQGCPGWGCCH-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036630
C[C@](O)(CNC(=O)c1cc2c(s1)CCC2)C(=O)O	ZINC22_90275446	269.317	KSXGQGCPGWGCCH-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036631
CCOC(=O)c1c(NC(=O)CO)sc2CCCc12	MCULE-3148670459,EMOLS-id_11486384,PC-id_16770088	269.317	PZLXPPPJCVIPKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036632
CCOC(=O)CC1CCc2c1c(C(=O)O)c(s2)N	PC-id_138694962,SCHEMBL21070175	269.317	GJBSAYRVYWZLLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036633
CC(OC(=O)Nc1sc2c(c1C(=O)O)CCC2)C	EMOLS-id_314557157,PC-id_61799675	269.317	FMIVXSLFYDGJML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036634
CN(C(=O)c1occ2c1CCC2)C1CS(=O)(=O)C1	EMOLS-id_316550582	269.317	NRXXDSWVKLKSPL-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-036635
COCCC(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_314516428,PC-id_60759850	269.317	MTJVYUXGLXMXRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036636
COCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_71170841,PC-id_81077209,MCULE-2625173097	269.317	CZLGCICBWLZXJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036637
COC(C(=O)Nc1sc2c(c1C(=O)O)CCC2)C	PC-id_113374724,EMOLS-id_314974522	269.317	DRWWEFQWQWVJJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036638
COC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_114144313	269.317	LRXIVOTVAFRJRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036639
COC(=O)C(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_113344251	269.317	UYEZUMUWMZMJBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036640
COC(=O)C(NC(=O)c1sc2c(c1)CCC2)CO	EMOLS-id_314094394,PC-id_43405791	269.317	IMFKBWBJITXMDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036641
O=C(c1sc2c(c1)CCC2)NCC(C(=O)O)(O)C	PC-id_66174581,EMOLS-id_71163806,MCULE-7061445186	269.317	KSXGQGCPGWGCCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036642
O=C(c1sc2c(c1)CCC2)N[C@H](C(=O)O)[C@H](O)C	EMOLS-id_317938472	269.317	DFEHNGHDUIBLCN-LDWIPMOCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036643
OCCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_61245106,EMOLS-id_314899351	269.317	CERDFIHWZSQDME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036644
OCC[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_107821724	269.317	CERDFIHWZSQDME-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036645
OCC[C@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_107822820	269.317	CERDFIHWZSQDME-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036646
OC(C(=O)O)CCNC(=O)c1sc2c(c1)CCC2	PC-id_107831831	269.317	QGHVXAHBRZDSHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036647
O[C@H]1CN(OC[C@H]1O)C(=O)c1sc2c(c1)CCC2	EMOLS-id_319735087	269.317	JECGSJLWZRTEND-DTWKUNHWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036648
O=C(N1CCc2c1csc2C(=O)O)OC(C)(C)C	PC-id_97746988	269.317	NLLHZDPIKFJCLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036649
O=C(NCc1sc2c(c1)CCC2)COCC(=O)O	PC-id_61327134,EMOLS-id_314102234	269.317	KMZJBPLSVDWRFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036650
O=C(NCC[C@H](O)C(=O)O)c1cc2c(s1)CCC2	MCULE-5172793239,PC-id_114006554,ZINC22_236540491,EMOLS-id_316312994	269.317	QGHVXAHBRZDSHH-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036651
OC(=O)c1c(NC2CCCCO2)sc2c1CCO2	SCHEMBL7562771,PC-id_70130326	269.317	LLMUEPCPXQWVJL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-036652
OC(=O)COCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_71165927,PC-id_79468148,MCULE-1032186924	269.317	HTFNHSTWDPFLMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036653
s1c2CCCc2cc1C(=O)NC(C(O)C)C(=O)O	PC-id_43176048	269.317	DFEHNGHDUIBLCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036654
s1c2CCCc2cc1C(=O)N[C@H](CO)C(=O)OC	PC-id_9277709	269.317	IMFKBWBJITXMDS-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036655
s1c2CCCc2cc1C(=O)N[C@@H](CO)C(=O)OC	PC-id_9277710	269.317	IMFKBWBJITXMDS-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036656
s1c2c(CCC2)c(c1NCC(=O)O)C(=O)OCC	PC-id_83380892	269.317	ILOHRFFAMYTWOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036657
s1c2c(C(CC2)C(=O)OC)c(c1N)C(=O)OCC	PC-id_24044768	269.317	FMZHLFOVLCPZMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036658
s1c(c2CN(Cc2c1)C(=O)OC(C)(C)C)C(=O)O	PC-id_82379363	269.317	BNTDDTMZWGYFMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036659
S1CC(n2c1c(cc2)C(=O)OCC)C(=O)OCC	PC-id_85677784	269.317	UHWDPYARZYOSSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036660
S1[C@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C	PC-id_10934501	269.317	FYBPCEDQPVFLQE-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036661
S1[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C	PC-id_11021927	269.317	FYBPCEDQPVFLQE-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036662
S1C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C	PC-id_15470566	269.317	FYBPCEDQPVFLQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036663
S(c1n2c(CCC2)c(c1C(=O)OC)C(=O)OC)C	PC-id_14669086	269.317	ZNUSPYZYKOIYCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036664
Cc1sc2c(c1)C(=O)C(=C2)NC(=O)c1ccccc1	PC-id_101552028	269.318	DDRBKYXCWDTZPG-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-036665
N#Cc1cccc(OC(=O)c2cc3c(s2)CCC3)c1	PC-id_4827479,EMOLS-id_3482938,CoCoCo_3182767,ZINC22_6949009,MCULE-5672160970	269.318	RJICOWYJLQXIMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036666
c1(C(=O)NC2CCS(=O)(=O)C2)c2CCCc2[nH]n1	PC-id_71684311,EMOLS-id_49408280,STOCK7S-36241,EMOLS-id_44752844,MCULE-6056403536	269.32	HSXVRUASWKNSEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036667
c1(C(=O)NC2CCS(=O)(=O)C2)cn2c(CCC2)n1	MCULE-3829287347,EMOLS-id_321297109	269.32	BAGZTKROLGPCKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036668
c1(NC(=O)NCCO)sc2c(CCC2)c1C(=O)N	PC-id_8029841,MCULE-3440122430,ZINC22_6661462,STOCK6S-06170,CoCoCo_1098425,EMOLS-id_4733888	269.32	ZSWBPIXWNMQFGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036669
c1(NC(=O)NN)sc2c(CCC2)c1C(=O)OCC	MCULE-2824490747,CoCoCo_5838187,PC-id_720886,EMOLS-id_1862635	269.32	NAPQYSLFFLCMBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036670
CC1CCS(=O)(=O)N1C(=O)c1cnn2c1CCC2	EMOLS-id_318775872	269.32	WKHBFTBTJZCMKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036671
CCNC(=O)CNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_315823329,PC-id_104287977	269.32	PUKGHXZUZBEYAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036672
CCOC(=O)C1CCc2c1nc(s2)NCC(=O)N	PC-id_104287474,EMOLS-id_314732683	269.32	TUWCJKVYTPXBCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036673
CCOC(=O)C(C(=O)Nc1sc2c(n1)CCC2)N	PC-id_116458617	269.32	VCLDNECLEZCUPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036674
CC(=O)NCCNc1sc2c(n1)C(CC2)C(=O)O	EMOLS-id_314765714,PC-id_104287922	269.32	XFCYLOVJFQTULN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036675
CNC(=O)CCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_315824097,PC-id_104288357	269.32	NAXUIRLGFFTSIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036676
CNC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_113395750	269.32	APTGQGOFFSGVEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036677
COC(=O)CC(=O)NCCc1cn2c(n1)SCC2	MCULE-6616423780,EMOLS-id_258075931	269.32	OHWBBMVVYSBBJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036678
COC(=O)N(C)CC(=O)Nc1nc2c(s1)CCC2	EMOLS-id_48213425,PC-id_47181023,ZINC22_41690723,MCULE-1588322607	269.32	SQXMMRRSPUZKRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036679
NC(=O)CCCNc1sc2c(n1)C(CC2)C(=O)O	EMOLS-id_315823585,PC-id_104288034	269.32	NPINYBPRWHWZAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036680
NC(=O)CC(Nc1sc2c(n1)C(CC2)C(=O)O)C	PC-id_116307366	269.32	AFAQDTFXAYBWPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036681
O=C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100175837	269.32	NIFQQSHCHOKFJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036682
O=C(C1(C)CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110421004	269.32	REXLZOZOUCXRPC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036683
O=C(C1CCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057215	269.32	HHJCRFNLGBKKEC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036684
O=C(c1nn2c(c1)OCC2)NCC1(O)CSCC1	EMOLS-id_99577015	269.32	PHWGYVGQUQFMTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036685
OCC(=O)NCCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_278718898	269.32	WLZAFIXZAHERCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036686
O=C(N[C@@H]1CCS(=O)(=O)C1)c1[nH]nc2c1CCC2	ZINC22_49679047,PC-id_94241549	269.32	HSXVRUASWKNSEB-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036687
O=C(N[C@H]1CCS(=O)(=O)C1)c1[nH]nc2c1CCC2	ZINC22_49679051,PC-id_94241550	269.32	HSXVRUASWKNSEB-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036688
OC(=O)C1CCc2c1nc(s2)NC(C(=O)N)(C)C	EMOLS-id_314966072,PC-id_113395755	269.32	YNQZVEWICQXAFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036689
OC(=O)C1CCc2c1nc(s2)NCC(=O)N(C)C	PC-id_104287853,EMOLS-id_315822305	269.32	REQCVCHGCXMYFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036690
OC(=O)C1CCc2c1nc(s2)NN1CCOCC1	PC-id_104289219	269.32	UFNXUTGVMNDBTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036691
OC(=O)CCC(C(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_315347728,PC-id_64889921	269.32	QLXDYHYNETYSSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036692
OC(=O)CCCNC(=O)Nc1sc2c(n1)CCC2	PC-id_54963302,EMOLS-id_315222973	269.32	UWKKQMYJXZPHCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036693
s1c2CCCc2nc1NC(=O)NC(CC)C(=O)O	PC-id_54963355	269.32	MVNFAZVJXFPWAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036694
s1c2CCCc2nc1NC(=O)NC(C)(C)C(=O)O	PC-id_54963403	269.32	RPDVYSCCVTYJNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036695
s1c2CCCc2nc1NC(=O)N(CC)CC(=O)O	PC-id_61510415	269.32	ZYCNDHUWPJLNRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036696
s1c2CCCc2nc1NC(=O)NCC(C)C(=O)O	PC-id_62669400	269.32	QSPXUJYPBQAGGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036697
s1c2CCCc2nc1NC(=O)NC(CC(=O)O)C	PC-id_54963354	269.32	ZXNHPYJJARTAJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036698
s1c2CCCc2nc1NC(=O)N(C(C)C(=O)O)C	PC-id_55096540	269.32	CQKOKYBKHPWVCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036699
s1c2CCCc2nc1NC(=O)N(CCC(=O)O)C	PC-id_61510414	269.32	XPYKTKBWWKQDHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036700
s1c2CCCc2nc1NC(=O)NCC(=O)OCC	PC-id_60669660	269.32	NBCJHTBZKVNOCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036701
s1c2CCCc2nc1NC(=O)N[C@H](CC)C(=O)O	PC-id_65812016	269.32	MVNFAZVJXFPWAD-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036702
s1c2CCCc2nc1NC(=O)N[C@@H](CC)C(=O)O	PC-id_81670593	269.32	MVNFAZVJXFPWAD-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-036703
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C#N	EMOLS-id_2182697,ZINC22_309905,PC-id_802295,ChEMBL-DNDi_CHEMBL1372443,MCULE-2397805490,TIMTEC540525,CHEMBL1372443,ChEMBL-DNDi_CHEMBL6976628	269.322	XAUVWKMXDUSPPU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036704
c1(NC(=O)c2ccncc2)sc2c(CCC2)c1C#N	ZINC22_1053709,EMOLS-id_3975434,MCULE-3847436021,CHEMBL1458900,ChEMBL-DNDi_CHEMBL1458900,CoCoCo_3268188,PC-id_1245327,TIMTEC248803	269.322	JTIXKECNYKAYAQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036705
c1(sc2c(CCC2)n1)NC(=O)c1cccc(c1)C#N	EMOLS-id_181477522,PC-id_33039156,MCULE-2637856805	269.322	ABCZICPIZSUCRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036706
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)C	MCULE-3555713233	269.322	WCANPOPIENCUDW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-036707
n12ncnc1sc(=CC(=Cc1ccccc1)C)c2=O	MCULE-4066767778	269.322	PMARLSJBCRLZOP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-036708
N#Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	EMOLS-id_17199336,MCULE-1860563775,PC-id_24243885,CoCoCo_4164052,ZINC22_12888460	269.322	MQJXKTSWUOYJPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036709
O=C(c1ncccc1)Nc1c(C#N)c2c(CCC2)s1	MCULE-1260646144,EMOLS-id_322616928,CoCoCo_6400639,SCHEMBL15426209	269.322	LFRJLZICOCKNRP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036710
s1c2CCCc2cc1C(=O)Nc1ncc(cc1)C#N	PC-id_55062899	269.322	KENGIGMLPDTNLB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036711
CN1CCN(CC1)S(=O)(=O)n1cc2c(n1)CN=C2	PC-id_141414358	269.323	DCTJMKAXCLUBLD-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-036712
N#CC(CN(S(=O)(=O)N1Cc2c(C1)cn[nH]2)C)C	EMOLS-id_319118075	269.323	FKSBPRYLXQZVAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036713
c1(C(=O)O)c2CCCc2n(CCc2ccccc2)c1C	PC-id_28474006,MCULE-1516990016	269.338	DTPJAOKGIBHTSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036714
Cc1cc(cc(c1)C)CC1CCc2c1cc([nH]2)C(=O)O	PC-id_59180174,SCHEMBL1004549	269.338	NNIITFRKIWIZAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036715
Cc1cc(ccc1C)CC1CCc2c1cc([nH]2)C(=O)O	PC-id_59180225,SCHEMBL1005295	269.338	YBOOMLIROAARHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036716
CC(CC1CCn2c1ccc2C(=O)c1ccccc1)O	SCHEMBL10925449,PC-id_70474541	269.338	NFABOOCILGIZQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036717
CC/C=CC(=C/C=C)C(=O)c1ccc2n1CCC2C=O	PC-id_142968543	269.338	LDIQQKPOECHDMK-IILXRZLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036718
CCOC(=O)c1cc2c(n1Cc1ccccc1)CCC2	SCHEMBL9098048,PC-id_13592288	269.338	QYASPVWBMXIHGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036719
CCOC(=O)c1[nH]c2c(c1)CCC2Cc1ccccc1	PC-id_59180048,SCHEMBL1005338	269.338	PZEOYTKCOCBUGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036720
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)C	PC-id_59180089,SCHEMBL1003014	269.338	MUFDARXYCYEKOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036721
COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(cc1)C	PC-id_68402545,SCHEMBL12844881	269.338	QBWNBPUNTZSVBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036722
COC(=O)c1cc2c([nH]1)CCC2CCc1ccccc1	SCHEMBL1003471,PC-id_59180061	269.338	UZNXOVVGQQFYPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036723
o1c2c(CCC2)c(C(=O)C(c2ccccc2)(C)C)c1N	PC-id_83447136	269.338	VDBZPGCARUVJAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036724
OC(=O)c1cc2c([nH]1)CCC2CCCc1ccccc1	PC-id_44125247,SCHEMBL1004844	269.338	SSFMNLWVAIYGPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036725
OC(=O)c1cc2c([nH]1)C(CC2)CCCc1ccccc1	PC-id_59180074,SCHEMBL1007442	269.338	XNCPKNZZWKHUHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036726
O(C(=O)Cc1n(c2c(CCC2)c1)Cc1ccccc1)C	PC-id_10468303	269.338	FWTBAZUBFIWPIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036727
s1c2C(N([O])C(c2c(N)c1C(=O)OC)(C)C)(C)C	PC-id_21860650	269.34	NFGILOSHHCZMPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036728
c12CN(Cc1nn(C(C)C)c2C=O)Cc1ccccc1	EMOLS-id_324347752,MCULE-7192983078	269.342	JCGIXZQUWGVDTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036729
c1(c2CCCc2[nH]n1)C(=O)N(CC)c1cccc(C)c1	MCULE-1694852146,PC-id_110388967,EMOLS-id_179744970	269.342	YLQDIRIASXXNCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036730
C1C[C@H]([C@@H](O1)c1ccccc1)NC1CCn2c1ncc2	MCULE-4520507345,EMOLS-id_320315137	269.342	HWKHVKYZDYXNLM-LOWNFYCTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-036731
c1(cn2c(CCC2)n1)C(=O)Nc1c(C)cc(C)cc1C	MCULE-1775616306,EMOLS-id_321296601	269.342	JPPMXZYZLSPYIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036732
c1(cn2c(CCC2)n1)C(=O)Nc1c(CC)cccc1C	MCULE-5196774850,EMOLS-id_321295833	269.342	JAPSHUKCKWCJRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036733
c1(cn2c(CCC2)n1)C(=O)N(CC)c1cccc(C)c1	EMOLS-id_321297630,MCULE-4534867906	269.342	QIKCFVXGDWJQPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036734
c1(cn2c(CCC2)n1)C(=O)N(CC)Cc1ccccc1	EMOLS-id_321298132,MCULE-3267825657	269.342	UPGVWCNCQAXUKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036735
c1(C(=O)Nc2ccccc2CC)c2CCCc2n(C)n1	MCULE-4913070181,PC-id_110389076,EMOLS-id_179745292	269.342	HOFWDWBBNCRCTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036736
c1(C(=O)Nc2ccc(cc2C)C)c2CCCc2n(C)n1	MCULE-6269348479,PC-id_110389070,EMOLS-id_179745274	269.342	JPXOSXZDVURRBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036737
c1(C(=O)Nc2ccc(cc2)CC)c2CCCc2n(C)n1	PC-id_110389077,EMOLS-id_179745295,MCULE-9528148530	269.342	VEOZHJDJUDMOJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036738
c1(C(=O)Nc2ccccc2C(C)C)c2CCCc2[nH]n1	EMOLS-id_179744745,PC-id_110388893,MCULE-7933834508	269.342	FKYPFNKOXIUOEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036739
c1(C(=O)Nc2ccc(cc2)C(C)C)c2CCCc2[nH]n1	EMOLS-id_179744748,MCULE-7014859997,PC-id_110388894	269.342	FMTXGAKHBKIWBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036740
c1(C(=O)Nc2ccccc2C(C)C)cn2c(CCC2)n1	EMOLS-id_321296089,MCULE-4052292348	269.342	TZKXMUDCDSEJAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036741
c1(C(=O)Nc2ccc(cc2)C(C)C)cn2c(CCC2)n1	EMOLS-id_321296345,MCULE-6992453494	269.342	KLTSXHHBKVNLHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036742
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)C)n1	EMOLS-id_331034628,MCULE-4526101614	269.342	MNRWBHTZSXFCNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036743
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2C)n1	MCULE-5236113680,EMOLS-id_331034892	269.342	DULGMBVRBJRPAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036744
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(C)c2)n1	EMOLS-id_331034637,MCULE-9891547060	269.342	CDSFIVPFUHTKJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036745
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)C	EMOLS-id_331016637,MCULE-6278065483	269.342	OBDQREDGJVIIJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036746
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1C	MCULE-9447359294,EMOLS-id_331020981	269.342	KTUKEYFNDGYEMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036747
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(C)c1	EMOLS-id_331020726,MCULE-1373553093	269.342	YDSBZJHDYINYGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036748
c1(C(=O)Nc2cccc(C)c2C)c2CCCc2n(C)n1	EMOLS-id_179745289,MCULE-4812997065,PC-id_110389075	269.342	HULSTVQLZARZDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036749
c1(C(=O)Nc2cc(C)ccc2C)c2CCCc2n(C)n1	MCULE-3135932637,EMOLS-id_179745277,PC-id_110389071	269.342	IRASRWRZESLCSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036750
c1(CCl)c2CSCc2sc1Br	MCULE-3832745219,EMOLS-id_331061291	269.61	CZKNUAMFSKEJJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036975
c1(C(=O)Nc2ccc(c(C)c2)C)c2CCCc2n(C)n1	PC-id_110389072,EMOLS-id_179745280,MCULE-4773610153	269.342	LAPNWIVHVXHZKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036751
c1(C(=O)Nc2c(C)cccc2C)c2CCCc2n(C)n1	PC-id_110389074,MCULE-1023797545,EMOLS-id_179745286	269.342	OEOVFTPUAVLYRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036752
c1(C(=O)Nc2c(C)cc(cc2C)C)c2CCCc2[nH]n1	MCULE-9491005933,PC-id_110388895,EMOLS-id_179744751	269.342	ZNUUWKRYHXNCDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036753
c1(C(=O)Nc2cc(C)cc(C)c2)c2CCCc2n(C)n1	EMOLS-id_179745283,MCULE-1974568694,PC-id_110389073	269.342	IMXNESVHDMKVBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036754
c1(C(=O)Nc2c(CC)cccc2C)c2CCCc2[nH]n1	EMOLS-id_179744742,PC-id_110388892,MCULE-8162267516	269.342	BMTUNEHUVGAOST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036755
c1(C(=O)NCc2ccc(cc2)C)c2CCCc2n(C)n1	EMOLS-id_179745064,MCULE-7574458572,PC-id_110389000	269.342	OWWHRYKSEWJAHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036756
c1(C(=O)NCc2ccccc2C)c2CCCc2n(C)n1	MCULE-1247191262,PC-id_110388998,EMOLS-id_179745058	269.342	YRVJXNHRYVWHLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036757
c1(C(=O)NCc2cccc(C)c2)c2CCCc2n(C)n1	PC-id_110388999,MCULE-6385703331,EMOLS-id_179745061	269.342	MPNWYHDCGNLRAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036758
c1(C(=O)N(CC)c2ccccc2)c2CCCc2n(C)n1	EMOLS-id_179745298,MCULE-2675415470,PC-id_110389078	269.342	XALWUTVVQXCZHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036759
c1(C(=O)N(C)Cc2ccccc2)c2CCCc2n(C)n1	MCULE-3557285411,PC-id_110389002,EMOLS-id_179745070	269.342	NOTNTTZNPTYOBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036760
c1(C(=O)NC(C)c2ccccc2)c2CCCc2n(C)n1	PC-id_110389001,MCULE-2726203339,EMOLS-id_179745067	269.342	JRAIBQQVEHLFOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036761
c1(C(=O)NCCc2ccccc2)c2CCCc2n(C)n1	PC-id_110389014,MCULE-7349761648,EMOLS-id_179745106	269.342	SYAWEGKODQTJLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036762
c1(C(=O)NCCc2ccc(C)cc2)c2CCCc2[nH]n1	EMOLS-id_335015030,MCULE-7950734134	269.342	XHYIZNKCJJCTQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036763
c1(C(=O)NCCCc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_179744658,MCULE-6385629577,PC-id_110388863	269.342	ZDEDNCJHMYRFFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036764
c1(C(=O)N(CC)Cc2ccccc2)c2CCCc2[nH]n1	PC-id_110388833,MCULE-1534021846,EMOLS-id_179744574	269.342	NOBJRBXOCVWFFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036765
c1(C(=O)NCCCc2ccccc2)cn2c(CCC2)n1	EMOLS-id_321295575,MCULE-1274772477	269.342	VPJRKTBXAVMCBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036766
c1(NC(=O)Cc2ccc(cc2)C)n(C)nc2CCCc12	MCULE-4593196531,PC-id_45536364,ZINC22_38510653,EMOLS-id_43484307	269.342	JCRQEURLAUZCPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036767
C1OCC(C1)c1ccc(cc1)NC1CCn2c1ncc2	EMOLS-id_318099607,MCULE-9634577884	269.342	IACAFDVCANOXCK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-036768
Cc1ccc(c(c1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319740552	269.342	KBMZXAUSDOMGGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036769
Cc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319291495	269.342	OZKLQZSOYIBQHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036770
Cc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319576007	269.342	JVYSPEWXEOHOPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036771
CC(C#C)NC1CCc2c1cc(s2)Br	EMOLS-id_262099181	270.189	XRSSRXZWLOXQAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037047
Cc1cc(C)cc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318824065	269.342	HCWALJZTFLRKAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036772
CCc1ccccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320196947,MCULE-8941638884	269.342	GVXRWCGMNMGKGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036773
CCc1ccccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318798322	269.342	DALQYKZKXODPPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036774
CC(C)(C)c1nn2C(C(=O)Nc2c1)Cc1ccccc1	PC-id_136703381	269.342	SJPNUCYRHRXAQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036775
CC[C@@H](NC(=O)c1cnn2c1CCC2)c1ccccc1	ZINC22_294367521,MCULE-3500362563,EMOLS-id_316886403	269.342	MSOQIMFHQDMQOT-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036776
C[C@H](N(C(=O)c1[nH]c2c(c1)CCC2)C)c1cccnc1	EMOLS-id_318880152	269.342	MUBSHJQVSWHUOR-NSHDSACASA-N	00000010100000101000000010000000000000000000000000000000	25-01-036777
C[C@@H](N(C(=O)c1[nH]c2c(c1)CCC2)C)c1cccnc1	EMOLS-id_320293668,MCULE-6833873621	269.342	MUBSHJQVSWHUOR-LLVKDONJSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036778
Cn1c(NC(=O)CCc2ccccc2)c2c(CCC2)n1	PC-id_45496987,ZINC22_36704272,MCULE-8964149075,EMOLS-id_32092636,CoCoCo_5273017	269.342	AHNUPHSEEMFUSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036779
CN(c1cccc(c1)NC(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_320217505,MCULE-2904941045	269.342	ZMWVSVVKRGCXOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036780
COc1cccc(c1)C1(CC1)NC1CCn2c1ncc2	EMOLS-id_318085373,MCULE-4649525877	269.342	DPCYFAPETYNUFS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-036781
COc1ccc(cc1)C1(CC1)NC1CCn2c1ncc2	EMOLS-id_318236019,MCULE-1353127496	269.342	ZINXBOKKLHEIDW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-036782
O=C(c1ccc(c(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319087358	269.342	NZULEDVYYJMTOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036783
O=C(c1ccc(c(c1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319340606	269.342	IKIXQTZUWZPXIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036784
O=C(c1cccc(c1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319788456	269.342	IPTOSEGJKONPNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036785
O=C(c1c(C)cccc1C)NCc1cnc2n1CCC2	EMOLS-id_319172724	269.342	XKJJRYDHPDUMLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036786
O=C(c1c(C)cccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319331437	269.342	VMRJVJIFBDSRAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036787
O=C(Cc1cccc(c1)C)NCc1cnc2n1CCC2	EMOLS-id_318976149	269.342	VRGGMVWCIXAUMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036788
O=C(C(c1ccccc1)C)NCc1cnc2n1CCC2	EMOLS-id_319151286	269.342	AOXTZWLUKRTSCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036789
O=C(Cc1ccc(cc1)C)NCc1cnc2n1CCC2	EMOLS-id_319251516	269.342	XZPSUGWLIMREMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036790
O=C(Cc1ccccc1C)NCc1cnc2n1CCC2	EMOLS-id_319921513,MCULE-7447037218	269.342	WSQYSQLRWMSZRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036791
O=C(Cc1ccc(cc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319675746	269.342	FBBSQRLEAAQTAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036792
O=C([C@H](c1ccccc1)C)NCc1cnc2n1CCC2	MCULE-7969138639,EMOLS-id_320267920	269.342	AOXTZWLUKRTSCI-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036793
O=C([C@H](c1ccccc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319007868	269.342	XTEOXYGEHRJLAH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-036794
O=C([C@@H](c1ccccc1)C)NCc1n[nH]c2c1CCC2	MCULE-3397101464,EMOLS-id_320013228	269.342	XTEOXYGEHRJLAH-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036795
O=C(Nc1n(nc2c1CCC2)C)c1cc(c(cc1)C)C	PC-id_45536285	269.342	UDYSTJIGBZCMOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036796
O=C(Nc1n(nc2c1CCC2)C)c1cc(cc(c1)C)C	PC-id_45536826	269.342	XKUVYLWRDLFWNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036797
O=C(Nc1n(nc2c1CCC2)C)Cc1cc(ccc1)C	PC-id_45536841	269.342	ZUSQKUDDMCXZKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036798
O=C(NCc1ccc(cc1)C)c1n(nc2c1CCC2)C	PC-id_14536020	269.342	ILPBKUKOTYKHSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036799
O=C(NCc1cnc2n1CCC2)CCc1ccccc1	MCULE-3809345304,EMOLS-id_320005406	269.342	FLKWQZAEYQLOPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036800
Cc1csc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316669733	269.343	XPKAFXMQRLLGDI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-036801
Cn1ncc2c1CN(C2)S(=O)(=O)c1cccs1	EMOLS-id_316432517,MCULE-7022464554	269.343	NIHQCIKSFFMYGI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-036802
O=S(=O)(c1cnc2n1CCC2)Nc1cscc1	EMOLS-id_100459565	269.343	RDPZUSKCCWRWIZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-036803
O=S(=O)(NC1Cc2cscc2C1)c1cnc[nH]1	ZINC22_2325789082	269.343	KYNWYMWUOXDWTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036804
C1Cn2c(C1)cc(n2)Cn1cc2c(n1)C1CCN2CC1	EMOLS-id_318802908	269.345	JWVIILKDIGEDSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036805
c1cnc(nc1)C1CCN(C1)Cc1nn2c(c1)CCC2	MCULE-4347781799,EMOLS-id_320137288	269.345	YVBXCCMAZLHZKK-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-036806
CCC(c1nc2c(s1)CCC2C(=O)O)(OC)CC	PC-id_116744628	269.36	JERQZPSFLUIIAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036807
CCCC(c1sc2c(n1)C(CC2)C(=O)O)OCC	PC-id_116705353	269.36	RQAMKOWCOULTQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036808
CCC(NC(=O)c1sc2c(c1)CCC2)(CO)CO	PC-id_103602275	269.36	CRWODRXRNMNWKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036809
CCCOCc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287214	269.36	FTNDAKMIFQFSSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036810
CCOC(c1nc2c(s1)CCC2C(=O)O)C(C)C	PC-id_116705351	269.36	FGIRECCDTGJSKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036811
CCOC(c1nc2c(s1)CCC2C(=O)O)(CC)C	PC-id_116744631	269.36	TYTOHTWTQJYNFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036812
CCOCCc1nc2c(s1)CCC2C(=O)OCC	PC-id_113880188	269.36	NYZNXJNOMRBKFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036813
CCOC(=O)C1CCc2c1nc(s2)CC(OC)C	PC-id_113395600	269.36	FTSIQALECREJJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036814
CCOC(=O)C1CCc2c1nc(s2)C(OC)(C)C	PC-id_113395598	269.36	QLUYSCIVUPMGPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036815
CCOC(=O)C1CCc2c1nc(s2)C(OCC)C	PC-id_113395605	269.36	IPNZHIZTUHJURJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036816
CCOC(=O)C1CCc2c1nc(s2)C(OC)CC	PC-id_116705338	269.36	CQURYTNCLFNUFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036817
CCOC(=O)c1c(N)sc2c1C(C)(C)OC2(C)C	PC-id_67300637,SCHEMBL2162092,EMOLS-id_315470637	269.36	UYEFPGMCUZICKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036818
COCC(c1nc2c(s1)CCC2C(=O)OCC)C	PC-id_116502257	269.36	VYNWUTKHTHVMEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036819
COCCCc1nc2c(s1)CCC2C(=O)OCC	PC-id_104287207	269.36	QFNIPCPAIWQBHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036820
COC(C(C)(C)C)c1nc2c(s1)CCC2C(=O)O	PC-id_113554578	269.36	CHEANGJNRUFOEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036821
COCC(CCNC(=O)c1sc2c(c1)CCC2)O	PC-id_103876943	269.36	HPHPAZPKDRMWFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036822
COCCCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956541	269.36	HXOJPFZFEUSVCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036823
COCC(CN(C(=O)c1sc2c(c1)CCC2)C)O	PC-id_54993228,EMOLS-id_315200477	269.36	SQPRGARFJBTYQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036824
COCCN(C(=O)c1sc2c(c1)CCC2)CCO	PC-id_113339872,EMOLS-id_315884952	269.36	AHCHDZREBCGWSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036825
COC(C(NC(=O)c1sc2c(c1)CCC2)C)OC	PC-id_64388644,EMOLS-id_315285683	269.36	GXGUYCYZEJOCTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036826
COC(=O)C(CNCc1sc2c(c1)CCC2)(O)C	PC-id_104644111,EMOLS-id_315925826	269.36	IFMZRBOKHARDRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036827
OCCC(NC(=O)c1sc2c(c1)CCC2)COC	PC-id_113264485	269.36	DYTCYUWDFNHMJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036828
OCCOCCCNC(=O)c1sc2c(c1)CCC2	PC-id_104007353	269.36	BWYUDOJQBGCCBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036829
O=C(N1Cc2c(C1)csc2C(O)C)OC(C)(C)C	PC-id_139679528	269.36	VEKUXPVSZHKMER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036830
s1c2C(OC(c2nc1CC(=O)OCC)(C)C)(C)C	PC-id_79916354	269.36	SDVYBODRJUIELD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036831
S(=O)(/C=C/1c2n(CC1=C)ccc2)c1ccc(cc1)C	PC-id_10880136	269.361	BMNCWOGPSIJYMS-PTNGSMBKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036832
S(=O)(C=C1c2n(CC1=C)ccc2)c1ccc(cc1)C	PC-id_85300034	269.361	BMNCWOGPSIJYMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036833
c12CN(Cc1sc(N)c2CN)C(=O)OC(C)(C)C	MCULE-2150489079,EMOLS-id_331065635	269.363	XHDIAHLEHJGXCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036834
c1(C(=O)NC(CO)CCSC)c2CCCc2n[nH]1	EMOLS-id_54880944,PC-id_91822274,MCULE-1457774368	269.363	JTMCOBAFTGNSTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036835
c1(C(=O)N[C@H](CO)CCSC)c2CCCc2[nH]n1	PC-id_110205569,STOCK7S-55249,MCULE-8512869337,ZINC22_154704648,EMOLS-id_55727930	269.363	JTMCOBAFTGNSTG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036836
CC1CC(C1)(C)CS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_318894411	269.363	CYLHUKUZOSPIFD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036837
CC1(C)CC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224718	269.363	KQSMFCHXXXKRQU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036838
CC1CC(c2n1ccn2)NS(=O)(=O)CC1CCC1	EMOLS-id_101318476	269.363	HQHXKEVTDUGVCD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036839
OC(C1CC1c1ccccc1)c1sc2c(c1)CCC2	PC-id_115838708	270.389	DWAINKGELGNWAT-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-037468
CC1CC(c2n1ccn2)NS(=O)(=O)CCC1CC1	EMOLS-id_101318473	269.363	YFUUUZGFGVGVEH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036840
CC1(CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188594	269.363	RHCBSEQOLARYJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036841
CC1CCCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97757847	269.363	ALTVISILWDSMTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036842
CC1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100203117	269.363	YJQWJTRUFUSJOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036843
CC1(C)CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100227277	269.363	YEUXMHRUYFZYHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036844
CC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100196934	269.363	YWDHZVDJURHNON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036845
CC1(C)CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238044	269.363	GQYLFLXCIGRKPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036846
CC1CCN(C1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100235692	269.363	FDVYATXWWAMZAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036847
CC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173974	269.363	PGBQCJLRNIDMEP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036848
CC1(CCNS(=O)(=O)c2cnc3n2CCC3)CC1	EMOLS-id_100324118	269.363	MWHNPTMJQCUNSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036849
CC1CN(CC1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238059	269.363	NGYJYPWSCVTGFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036850
CCC1(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100237948	269.363	HPCQANSPPUQMQV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036851
CCC1(CCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100233559	269.363	YAUITBLACYAZCQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036852
CC(C1CCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101306949	269.363	JDQTWCOMNHEYLI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036853
CCC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100208908	269.363	OSCSZGSKUMWBQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036854
CCC1(C)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99713037	269.363	MLRALILZUGCIIZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036855
CC(C)C1(NS(=O)(=O)c2cnc3n2CCC3)CC1	EMOLS-id_98027158,ZINC22_328824835,MCULE-9890863957	269.363	IWEUEMCANZPITC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036856
CC(C)(C)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1	PC-id_89728290,SCHEMBL15159366	269.363	YXZZQLOUCGFOHC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036857
CCCCOCC1Cc2c(C)nn(C(=S)N)c2O1	PC-id_3100706,MCULE-8311995161,STOCK1S-20867,EMOLS-id_1197037	269.363	ZSPGOGOISCCQCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036858
CCCCOC[C@H]1Cc2c(C)nn(C(=S)N)c2O1	CoCoCo_1768149,PC-id_1960039,ZINC22_2346875	269.363	ZSPGOGOISCCQCX-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036859
CCCCOC[C@@H]1Cc2c(C)nn(C(=S)N)c2O1	ZINC22_2346876,CoCoCo_1768150,PC-id_1960040	269.363	ZSPGOGOISCCQCX-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-036860
CC(C)(C)OC(=O)N1Cc2sc(N)nc2C1(C)C	EMOLS-id_315242896,ZINC22_307701617,MCULE-3126758159	269.363	SDWKFTLJSJORSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036861
CC[C@@H]1C[C@H]1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101306535	269.363	CLBLHNORQRZTEL-ZJUUUORDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036862
CC([C@@H]1C[C@H]1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101966109	269.363	WQFVMSLRAOHDSQ-VHSXEESVSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036863
CCCN(S(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100232254	269.363	LODSCBYZVRYPQI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036864
CCC(=O)Nc1n(nc2c1C[S@](=O)C2)C(C)(C)C	CoCoCo_4985001,PC-id_40514488	269.363	GITYXUIYYKKHHC-SFHVURJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036865
CCC(=O)Nc1n(nc2c1C[S@@](=O)C2)C(C)(C)C	CoCoCo_4985002,PC-id_40768411	269.363	GITYXUIYYKKHHC-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036866
CCC(=O)Nc1n(nc2c1CS(=O)C2)C(C)(C)C	PC-id_756253,ChEMBL-DNDi_CHEMBLF0561-0181	269.363	GITYXUIYYKKHHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036867
C[C@@H]1C[C@@]1(C)S(=O)(=O)NCc1nn2c(c1)CCC2	MCULE-7154301693,EMOLS-id_320210181	269.363	VKILKNCTIIGPCC-BXKDBHETSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036868
C[C@@H]1CCC[C@H]1CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319255229	269.363	POQQVGJFNYYMIN-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036869
CCN(CCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288588,EMOLS-id_315824865	269.363	ZODIIMUIFQEVMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036870
CC(N(S(=O)(=O)c1cnc2n1CCC2)C1CC1)C	EMOLS-id_100186425	269.363	VFRXFAZJBQHTCG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036871
CCOC(CC(=O)Nc1sc2c(n1)CCC2)CN	PC-id_114227400	269.363	ZKMKWPRCSDJDKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036872
CCSc1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380438,PC-id_118614173	269.363	VKIQXIARBIZMHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036873
Cn1nc2c(c1NS(=O)(=O)CCC1CC1)CCC2	EMOLS-id_99653319,MCULE-8746645129	269.363	HEWAOBBIRUUGJM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036874
CN(CCCNc1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_315824096,PC-id_113395663	269.363	RSUNBQPTCTXCFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036875
CN(CCN(c1nc2c(s1)CCC2C(=O)O)C)C	EMOLS-id_315825633,PC-id_104288791	269.363	FGGXSZJOOFENTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036876
CN(C(CNc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104288292	269.363	KQWULNZMSGDRPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036877
CN(CC(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395826	269.363	JDCZAOWKOMPNPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036878
CN(S(=O)(=O)c1cnc2n1CCC2)C1CCCC1	EMOLS-id_100205035	269.363	HONHTXKJOXYVPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036879
CN(S(=O)(=O)c1cnc2n1CCC2)CCC1CC1	EMOLS-id_100228900	269.363	FKARGYLMEPUEQR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036880
COCCCC(C(=O)Nc1sc2c(n1)CCC2)N	PC-id_81088314,EMOLS-id_314641585	269.363	MVAZWAVNEPTJMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036881
COCC(=O)Nc1c2CSCc2nn1C(C)(C)C	CoCoCo_5065543,PC-id_7483963	269.363	JGNLXHNVOXVUFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036882
CSc1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	PC-id_118614303,SCHEMBL17380570	269.363	AYPFHJXKHQIPOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036883
CSCC[C@H](CO)NC(=O)c1n[nH]c2c1CCC2	ZINC22_154704744	269.363	JTMCOBAFTGNSTG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036884
CSCC(CNC(=O)c1n[nH]c2c1CCC2)(O)C	PC-id_111436162	269.363	NEBDHJWTIINCDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036885
CSCC(NC(=O)c1n[nH]c2c1CCC2)CCO	PC-id_112342966	269.363	MFPHJVCBJNOPEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036886
CSCn1nc2c(c1)CN(C2)C(=O)OC(C)(C)C	PC-id_141411243	269.363	CZYWKQYEJJGLQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036887
OCCCSCCNC(=O)c1n[nH]c2c1CCC2	PC-id_112348704	269.363	GZRLPDOHSGJNKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036888
OCCN(CC(=O)Nc1sc2c(n1)CCC2)CC	PC-id_111431872	269.363	LOXWPVVQKAHQPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036889
O=S(=O)(c1cnc2n1CCC2)N1CCCCCC1	EMOLS-id_100196928	269.363	MPQPKZJGQCDDLB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-036890
O=S(=O)(c1cnc2n1CCC2)NC1CCCCC1	EMOLS-id_102689170	269.363	JWUWPVKODQWWOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036891
O=S(=O)(c1cnc2n1CCC2)NCC1CCCC1	EMOLS-id_100203153	269.363	BPWYPXJCQYAGNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036892
O=S(=O)(CC1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319579670	269.363	WSBAMKLOTYSHGN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-036893
N#Cc1cc(NCc2sc3c(c2)CCC3)nc(c1)C	PC-id_114769730	269.365	HGJNROIHPXOEKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036894
N#CCc1ccc(cc1)NCc1sc2c(n1)CCC2	PC-id_75506165,EMOLS-id_49316417,MCULE-2056885047	269.365	KYSKFMDWMHNOBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036895
s1c2CCCc2cc1CNc1nc(ccc1C#N)C	PC-id_61651688	269.365	DEKATWHIKSFUOM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036896
s1c2CCCc2cc1CNc1nccc(c1C#N)C	PC-id_81747848	269.365	UHGDRYUGTPEAIZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036897
s1c2c(CCC2)cc1CNCc1cccnc1C#N	PC-id_62893527	269.365	IZLOLMXHBLIRSF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036898
s1c2c(CCC2)cc1CNCc1cc(ncc1)C#N	PC-id_63881524	269.365	IXCKSBGMLYJOHX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-036899
o1c2c(CCC2)c(c1C(C)C)C(N)c1ccc(cc1)C	PC-id_83610295	269.381	CXEZFSCVQVXHGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036900
o1c2c(CCC2)c(c1CCC)C(N)c1ccc(cc1)C	PC-id_83610367	269.381	ZTNDBHPIGWXVIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036901
o1c2c(CCC2)c(C(N)c2ccc(cc2)CC)c1CC	PC-id_83610218	269.381	BBPPBHVHPPBPFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036902
o1c2c(CCC2)c(C(N)c2c(cc(cc2)C)C)c1CC	PC-id_83610220	269.381	JCRGCALDHAPAQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036903
o1c2c(CCC2)c(C(N)c2cc(c(cc2)C)C)c1CC	PC-id_83610221	269.381	IZLCUCZUFDTRRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036904
o1c2c(CCC2)c(C(N)c2c(ccc(c2)C)C)c1CC	PC-id_83610222	269.381	IPDKYKMKTSNDAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036905
o1c2c(CCC2)c(C(N)c2ccc(C(C)C)cc2)c1C	PC-id_83610139	269.381	GMSBLSJSUWMYAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036906
o1c(c(c2c1CCC2)C(N)c1ccccc1)C(C)(C)C	PC-id_83610509	269.381	ZLICLJPJXCXATK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036907
O=S1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102288914	269.383	ULYMSJUDZQBAIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036908
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)C(C)C	MCULE-5602693532,EMOLS-id_330961651	269.385	HICJOPHWPAEVLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036909
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)CCC	MCULE-8995364195,EMOLS-id_330961395	269.385	BIIUSMYFFDXENV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036910
CC1CCc2c1c(CN)nn2Cc1cc(C)ccc1C	EMOLS-id_331014899,MCULE-2474731295	269.385	HSVONGSVDTYKQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036911
CC1CCc2c1c(CN)nn2Cc1c(C)cccc1C	EMOLS-id_331015155,MCULE-4392162680	269.385	RYTMVTVYVHDIMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036912
CC1CCc2c1c(CN)nn2Cc1cccc(C)c1C	EMOLS-id_331015411,MCULE-3979318321	269.385	DSODFKQBCVUQCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036913
CC1CCc2c1c(CN)nn2Cc1ccc(C)cc1C	MCULE-9827497376,EMOLS-id_331012603	269.385	QIKUPCDYYHJRAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036914
CC1CCc2c1c(CN)nn2Cc1ccc(C)c(C)c1	EMOLS-id_331011067,MCULE-4437456798	269.385	BIPYEVLRFSNUTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036915
CC1CCc2c1c(CN)nn2Cc1cc(C)cc(C)c1	MCULE-5099321388,EMOLS-id_331014644	269.385	KVJVWVICGNIZOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036916
CC1CCc2c1c(N)nn2Cc1cc(C)c(C)cc1C	EMOLS-id_330961915,MCULE-8056920331	269.385	VLWHMVMGXRGWRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036917
CC1CCc2c1c(N)nn2Cc1c(C)cc(C)cc1C	MCULE-6610718883,EMOLS-id_330962171	269.385	YREUDHKWJRRNSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036918
CC1CCc2nn(Cc3ccc(C)cc3C)c(CN)c12	EMOLS-id_330994358,MCULE-1914514618	269.385	UPPHKNOCFHGOPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036919
CC1CCc2nn(Cc3cc(C)ccc3C)c(CN)c12	EMOLS-id_330996669,MCULE-7963450189	269.385	SXNYYACVOGRIHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036920
CC1CCc2nn(Cc3c(C)cccc3C)c(CN)c12	MCULE-3858883905,EMOLS-id_330996925	269.385	AKLXSCBNKHSXSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036921
CC1CCc2nn(Cc3cccc(C)c3C)c(CN)c12	MCULE-7866236168,EMOLS-id_330997181	269.385	ICKQVCNQYAKPLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036922
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(CN)c12	EMOLS-id_330996414,MCULE-2387152020	269.385	KFJWZYBBSYBTMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036923
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(CN)c12	EMOLS-id_330996917,MCULE-8033981422	269.385	BAVSAURHWWFNMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036924
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(N)c12	EMOLS-id_331011240,MCULE-2990259511	269.385	JZCTZUQBRNPABM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036925
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(N)c12	MCULE-3871600808,EMOLS-id_331010984	269.385	DASIXDPHRKKEAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036926
Cc1ccc(cc1)CCNC(c1nn2c(c1)CCC2)C	EMOLS-id_318365770	269.385	TZNDKKNKUQEHES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036927
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331012009,MCULE-2671657188	269.385	VFPUCXWUYUCFPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036928
CCc1ccccc1C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331012269,MCULE-7809459526	269.385	SFUWOTYMPSVOBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036929
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1N	MCULE-6431588609,EMOLS-id_331010732	269.385	ZOXUUNPRFYHFPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036930
CCc1ccccc1Cn1nc2CCC(C)c2c1CN	MCULE-4020552177,EMOLS-id_330997437	269.385	DAFQVDOFKCIICF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036931
CC(c1ccccc1C)n1nc2CCC(C)c2c1CN	MCULE-5897904371,EMOLS-id_330998963	269.385	WBFLBPQVBBTKCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036932
CCc1ccccc1Cn1nc(CN)c2C(C)CCc12	MCULE-1634024261,EMOLS-id_331015667	269.385	MOKXIOFXXIEXIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036933
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1N	MCULE-3572389461,EMOLS-id_331012265	269.385	BKTSFVMIRBXBFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036934
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1N	MCULE-4807482587,EMOLS-id_331012525	269.385	AKGVXPVVGCTCNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036935
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1N	MCULE-7350480659,EMOLS-id_331011756	269.385	XPFDSAVIBINTKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036936
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1N	MCULE-8630095590,EMOLS-id_331010476	269.385	SGUXYTURGJHVMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036937
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1CN	EMOLS-id_330994367,MCULE-4162914476	269.385	RWHIOIKOVLWVGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036938
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1CN	MCULE-6744887010,EMOLS-id_331001265	269.385	RBUIRDZIXXKREF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036939
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1N	EMOLS-id_331011753,MCULE-1926221501	269.385	FKWHOAPMFULTLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036940
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1N	MCULE-8607756235,EMOLS-id_331011500	269.385	BMZJGAMUSWSGOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036941
CCc1cccc(Cn2nc3CCC(C)c3c2CN)c1	EMOLS-id_330996670,MCULE-9278808661	269.385	KECHSWPXKYJPDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036942
CCc1cccc(Cn2nc(CN)c3C(C)CCc23)c1	MCULE-9676111353,EMOLS-id_331014900	269.385	UKBLIPKRGVBDRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036943
CCc1ccc(Cn2nc3CCC(C)c3c2CN)cc1	MCULE-7231227169,EMOLS-id_330997173	269.385	WSWBDMQKVYUBKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036944
CCc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1	EMOLS-id_331011323,MCULE-2980155943	269.385	JFAJPXCKIKOOSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036945
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1N	EMOLS-id_331011496,MCULE-7695627197	269.385	LQIQHRUDXTVICW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036946
CC(C)c1ccccc1Cn1nc(N)c2C(C)CCc12	EMOLS-id_330962427,MCULE-4578155794	269.385	WLPMWBMHYCCGES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036947
CC(C)c1cccc(Cn2nc3CCC(C)c3c2N)c1	MCULE-1081032658,EMOLS-id_331010217	269.385	USDSAYJFQIJXMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036948
CC(C)c1cccc(Cn2nc(N)c3C(C)CCc23)c1	MCULE-8980278867,EMOLS-id_330961148	269.385	MHZUAPBMJRJQON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036949
CCCc1ccc(Cn2nc3CCC(C)c3c2N)cc1	MCULE-4114414102,EMOLS-id_331010464	269.385	WUYDWIAAIDZZKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036950
CC(C)c1ccc(Cn2nc3CCC(C)c3c2N)cc1	MCULE-7048872127,EMOLS-id_331010720	269.385	IDFWURGDAWEJHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036951
C=C/C=CC=C(C1CCc2n1nc(n2)C(C)(C)C)/C=C	PC-id_138605432,SCHEMBL20967663	269.385	FAHNFWDHMKGSGQ-JQHRQWORSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036952
n1(nc2c(C(CC2)(C)C)c1N)CCCc1ccccc1	PC-id_79865934	269.385	BSBWPBJNYNFMCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036953
CCC(C(=O)Nc1sc2c(n1)CCC2)C(=S)N	PC-id_61859273,EMOLS-id_38626476	269.386	KGBCKCPQIPQRAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036954
NC(=S)C(C(=O)Nc1sc2c(n1)CCC2)(C)C	EMOLS-id_38617520,PC-id_61837012	269.386	DYROEWSZMZDRRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036955
s1c2CCCc2nc1NC(=O)C1NCCSC1	PC-id_82909354	269.386	IHLLOYVOBBHILJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036956
COCCCOCCNCc1sc2c(c1)CCC2	PC-id_113784703	269.403	MXWAEBBVYOOVHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036957
COCCOCCCNCc1sc2c(c1)CCC2	PC-id_113812882	269.403	FKRITAHQOOKRTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036958
OC(COC(C)C)CNCc1sc2c(c1)CCC2	EMOLS-id_314550933,PC-id_61207974	269.403	RXIDZNIILQRTAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036959
s1c2c(CCC2)cc1CNCC(OCC)OCC	PC-id_81094022	269.403	ZWVPPKSDEZYZTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036960
s1c2c(CCC2)c(OCC(O)CNC(C)(C)C)c1	PC-id_3069906	269.403	YCWQYSCRDHZQJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036961
NC(C1CC1c1ccccc1)c1sc2c(c1)CCC2	PC-id_105052496	269.404	FNMRJTDYYUNZJW-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-036962
NC(c1sc2c(c1)CCC2)CC1Cc2c1cccc2	PC-id_105003401	269.404	SCOYPHHLVYHODO-UHFFFAOYSA-N	00001010100000100000001010000000000000000000000000000000	25-01-036963
s1c2c(CCC2)cc1CNCC1Cc2c1cccc2	PC-id_66418316	269.404	RZYFZQLVOROWBI-UHFFFAOYSA-N	00001010100000100000001010000000000000000000000000000000	25-01-036964
s1c2CCCc2cc1CNC/C=C/c1ccccc1	PC-id_62339591	269.404	DHLFYURZRPGCOC-VMPITWQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036965
s1c2CCCc2cc1CNCC=Cc1ccccc1	PC-id_76940271	269.404	DHLFYURZRPGCOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-036966
CCCC(NONN1CCc2c1csc2)CCC	PC-id_143122895	269.406	YPZPYGZOXOKZBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036967
CN(CC(CNC(c1sc2c(n1)CCC2)C)O)C	PC-id_109908755	269.406	NSJRONBMWZQXBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036968
CN(CC(CNCc1sc2c(n1)CCC2)(O)C)C	PC-id_109948761	269.406	VIIYRJVUFWDEAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036969
O=S1CCC(CC1)NCc1sc2c(c1)CCC2	EMOLS-id_38400862,PC-id_54981249	269.426	WKFMDPNUENGMTL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-036970
s1c(C(=O)C(CC)CCCC)nc2c1CSC2	PC-id_70980878,SCHEMBL13733378,MCULE-7120372348	269.426	FTEGQXYHFJPCQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036971
C1Cc2[nH]nc(CNC3CSCCSC3)c2C1	MCULE-8346027589,ZINC22_67883610,PC-id_56711807,EMOLS-id_36443652	269.429	VFGSHDTZKMDHMK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-036972
Brc1sc(c2OCOc12)C(=O)Cl	SCHEMBL8537905,PC-id_53644571	269.5	AIKDMPBFYRLUKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036973
c1(CBr)c2CSCc2sc1Cl	MCULE-2265828803,EMOLS-id_331060524	269.61	WVJLDXCMARWOQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036974
Clc1sc2c(C(NCCC(F)(F)F)CC2)c1	EMOLS-id_314798035,PC-id_81252705	269.714	LCVRZYFWOZJRBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036976
CCOC(=O)c1c(C)n2c(c1C=O)C(CC2)CCl	PC-id_101492541	269.724	RFRTWNYHHFEMHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036977
Clc1cc(F)c(Nc2sc3CCCc3n2)nc1	PC-id_79728292	269.726	BTENMGBXHOWNKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-036978
c12CN(Cc1nn(CC1CC1)c2Cl)C(=O)OCC	EMOLS-id_324345184,MCULE-2489544725	269.727	PJRMBCVKCMHNTI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036979
C1Cc2c([nH]c(c2C1)/C=N/OCCCl)CC(=O)N	PC-id_135931625	269.727	GXSQJSROVOADFU-VIZOYTHASA-N	00000010100000000000000010000000000000000000000000000000	25-01-036980
CC1CCCCN1C(=O)c1nn2CCOc2c1Cl	PC-id_91960025	269.727	UDXGZASPBSVCLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036981
CC1CCCN(C1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960037	269.727	ULQODXKDGUFOSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036982
CC1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960038	269.727	MWUMZLBXDCJJGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-036983
C/C=C(CN1C(=O)Cn2c1nc(c2CO)CC)/Cl	PC-id_142157162	269.727	QNVWCVGVNCERDO-FPYGCLRLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036984
CCN(CC1CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960045	269.727	LGEPHGCNDMPNFK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-036985
Cc1onc(n1)CNC1CCc2c1cc(s2)Cl	PC-id_114182833	269.75	NUHLEBJFUOWYIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036986
Clc1sc2c(c1)C(CC2)NCCc1ncno1	PC-id_106394659	269.75	OSZLMNYYLKBHTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036987
Clc1sc2c(c1)C(CC2)NCCc1nocn1	PC-id_106395920	269.75	LYAZTDGSJOGMRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036988
Clc1sc2CCC(NCc3onc(n3)C)c2c1	PC-id_81251420	269.75	ZCUARTRNYOPHJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036989
Clc1cnc(s1)NC(c1nnc2n1CCC2)C	EMOLS-id_318115911,MCULE-3738286670	269.754	UQYRCQIQJVNNGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036990
Clc1sc2c(C(NC(C)c3n[nH]nn3)CC2)c1	PC-id_81252700	269.754	AOLCHHBMKPASFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-036991
Clc1ccc(/N=c/2sn3CCSc3n2)cc1	PC-id_76312914	269.774	OEDQNXHODSTLFC-XFXZXTDPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-036992
ClC1CCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_106443626	269.79	NDHAKDINKLMYMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036993
ClC1CCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_63393189	269.79	FBEVCDODAQUTAS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-036994
ClC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_39811355,PC-id_63390641	269.79	YONSSYIXIOWJJB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-036995
ClC(C1CC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_114305070	269.79	QRYKSDVBLKTJEL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-036996
ClCC1(CCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_315976485,PC-id_116365998	269.79	JCFCBLKPFMAJPO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-036997
ClCC1CCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_63395918	269.79	ZFUHADHZFMNPBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-036998
ClCC1(CNC(=O)c2sc3c(c2)CCC3)CC1	PC-id_115455870,EMOLS-id_314311223	269.79	KGOMLQBVNDGZQT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-036999
ClCC1N(CCC1)C(=O)c1sc2c(CCC2)c1	PC-id_63394269	269.79	PBKUVLGUVYGJTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037000
ClCCN(C1CC1)C(=O)c1sc2c(CCC2)c1	EMOLS-id_39815199,PC-id_63394850	269.79	QQIGZNNLJOZYKY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-037001
Clc1c(scc1)C(N)c1sc2c(CCC2)c1	PC-id_80529705	269.813	RLECHVKLBNWYDY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-037002
Clc1sc2c(c1)C(CC2)Nc1cscc1C	PC-id_115921970	269.813	RNCKFCQHKJFKPW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-037003
Clc1sc2CCC(NCc3sccc3)c2c1	PC-id_81252777	269.813	WEYOYGFROYLLLQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-037004
Clc1sc2c(C(NCc3ccsc3)CC2)c1	PC-id_81252917	269.813	YQNYXBAEQYYJLY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-037005
Clc1sc(C(N)c2sc3c(CCC3)c2)cc1	PC-id_43464464	269.813	YJSNZKCGLBEBQJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-037006
CC1CCC(C1)CNC1CCc2c1cc(s2)Cl	PC-id_107411763	269.833	VFZMHPLXSIHHAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037007
CC1CCCC1CNC1CCc2c1cc(s2)Cl	PC-id_107417092	269.833	ZFKQBPLKKKUGAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037008
CC(C1(CC1)CNC1CCc2c1cc(s2)Cl)C	PC-id_114114813	269.833	WYPFLHQXBWKFIL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-037009
CCC1(CCC1)CNC1CCc2c1cc(s2)Cl	PC-id_114107431	269.833	LDJUTYXAWPZZTM-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-037010
CCCC1(CNC2CCc3c2cc(s3)Cl)CC1	PC-id_114099646	269.833	XMUIEWRMMPZLAB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-037011
Clc1sc2c(c1)C(CC2)NC1CCC(C1)(C)C	PC-id_114544436	269.833	XFTWAJOVYKVHLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037012
Clc1sc2c(C(NC3C(C3(C)C)(C)C)CC2)c1	PC-id_81251749	269.833	SMPHOSKWDOJRSZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-037013
Clc1sc2c(C(NC3C(CCC3)(C)C)CC2)c1	PC-id_81252414	269.833	KMCBTVGXKFEHKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037014
Clc1sc2c(C(NC3C(C(CC3)C)C)CC2)c1	PC-id_81252710	269.833	MGYJBZRXZBSAAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037015
Clc1sc2c(C(NC3CCC(CC3)C)CC2)c1	PC-id_81251824	269.833	FGHKNQUURGZWHM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037016
Clc1sc2c(C(NC3CC(CCC3)C)CC2)c1	PC-id_81252165	269.833	XUYNDVXIGZOLKA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037017
Clc1sc2c(C(NC3C(CCCC3)C)CC2)c1	PC-id_81252982	269.833	USKRBSJKTCCFPF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037018
Clc1sc2c(C(NC3CCCCCC3)CC2)c1	PC-id_81251590	269.833	RLGFTNIWYLGQDA-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-037019
Clc1sc2c(C(NC(C3CCCC3)C)CC2)c1	PC-id_81252079	269.833	XZFDTJKEWASXAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037020
Clc1sc2c(C(NCC3(CCCC3)C)CC2)c1	PC-id_81252706	269.833	PZGBBHAMJPQHAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037021
Clc1sc2c(C(NCC3CCCCC3)CC2)c1	PC-id_81252274	269.833	WPRFIDXYEJALCS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037022
Clc1sc2c(C(NC(CC3CC3)CC)CC2)c1	PC-id_81251862	269.833	YPIJZRCBYWVXFJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-037023
Clc1sc2c(C(NCCC3CCCC3)CC2)c1	PC-id_81251730	269.833	BOLYLOJOIXBGHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037024
Clc1sc2c(C(N[C@H](C3CCCC3)C)CC2)c1	PC-id_81386665	269.833	XZFDTJKEWASXAT-QHGLUPRGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037025
Clc1sc2c(C(N[C@@H](C3CCCC3)C)CC2)c1	PC-id_81396603	269.833	XZFDTJKEWASXAT-PKEIRNPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037026
FC1(F)Cc2cc(I)nn2C1	EMOLS-id_320439573,MCULE-6260668785	270.019	RMJMTHOPRYGCES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037027
FC1(F)Cc2c(I)cnn2C1	EMOLS-id_320438294,MCULE-5778745949	270.019	TXIUUEDQCQFHMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037028
c12cc(nn1CCN2CC(F)(F)F)Br	EMOLS-id_320440088,MCULE-9997542127	270.05	WBQIBBJUFIXETM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037029
FC(F)(F)Cn1nc2CNCc2c1Br	EMOLS-id_324340843,MCULE-8554706014	270.05	OMRUDRUSQHSAJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037030
C1CC2=NC(=NN2C1OC3=C(C(=C(C=C3)F)F)F)N	PC-id_154928340	270.073	QVSJFWWXBZGXIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037031
O=C1N(CC2CC2)Cn2c1nc(c2Br)C	PC-id_140261618	270.126	CVTXLRYQWQUHJT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037032
CC1(CCN2C1=CC(=N2)CC(=O)OC3=CC=CC=C3)C	PC-id_161855962	270.137	XZRKTHOWXOAWBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037033
C1c2c(CC1(F)F)n(nc2C(F)(F)F)CC(=O)O	PC-id_90150419,SCHEMBL15708958	270.156	IWAJTOOSRRFSFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037034
C1CC(c2c1n(nc2C(F)(F)F)CC(=O)O)(F)F	SCHEMBL15708216,PC-id_86719893	270.156	RXWCFNMDJMXOOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037035
FC1(F)C(c2c([nH]nc2C(F)(F)F)C1)CC(=O)O	PC-id_71185034,SCHEMBL14484560	270.156	MYNHAYKTQBKCKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037036
FC1(F)C(Cc2[nH]nc(c12)C(F)(F)F)CC(=O)O	SCHEMBL14484590,PC-id_71185055	270.156	XZMCSJGJFFFJTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037037
OC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F	SCHEMBL20430613	270.156	ZUCMTRQECRNXJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037038
CCOC(C1=Cc2n(C1C)cc(c2)Br)C	PC-id_139395050	270.166	NVZJVWZMLXDDLV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-037039
CCO[C@H](C1=Cc2n(C1C)cc(c2)Br)C	SCHEMBL21251301	270.166	NVZJVWZMLXDDLV-GKAPJAKFSA-N	00000011100000000000000010000000000000000000000000000000	25-01-037040
Brc1c2CNCc2nn1CC1CCCC1	EMOLS-id_324339563,MCULE-5873021677	270.169	CAMAVHJZLJJMDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037041
Brc1c(CCC2(N)CC2)nc2n1CCC2	PC-id_105518457	270.169	AQJUAAFWJHVFJE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037042
Brc1nc2n(c1CCC1(N)CC1)CCC2	PC-id_105518458	270.169	OANQDDYQSWGFRM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037043
Brc1c2CCCc2sc1C(C)(C)C#N	PC-id_84809060	270.189	BQRDJUXXTJJLTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037044
Brc1cc2c(s1)CCC2NCCC#C	EMOLS-id_262099020	270.189	OXSJLAXTEIAYJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037045
CC#CCNC1CCc2c1cc(s2)Br	EMOLS-id_262099052	270.189	ABYKQIVMVJXQTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037046
c12n(CCN1CC(F)(F)F)ncc2S(=O)(=O)N	EMOLS-id_317864191,MCULE-1292454528	270.232	MHEQXAFZZZKWQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037048
c12CN(Cc1nn(CC(F)F)c2C#N)C(=O)OCC	MCULE-1158459991,EMOLS-id_324357481	270.235	NDJFZBMAZWMOBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037049
CCCC1Oc2c(O1)c(oc2C(=O)OC)C(=O)OC	PC-id_141365876	270.235	MGBJLCGZJNYJPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037050
CCOC(=O)c1cc2OC(COCC(=O)O)Cn2n1	EMOLS-id_337760714	270.239	TZOOBROKUIPMNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037051
O=C1N(Cc2ccccc2)C(=O)c2c1c([nH]c2)C(=O)O	PC-id_82372995	270.24	YGQLGICPSPXOLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037052
CCOC(=O)NCC1(Cn2cc(nc2O1)[N+](=O)[O-])C	PC-id_91324850	270.242	LAUREGQLXWYEIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037053
COC(=O)c1cc2c(s1)C(=O)C(O2)(C)C(=O)OC	PC-id_101843153	270.258	UALXCXQBUNCORP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037054
c12CN(Cc1nn(CCF)c2C(=O)NC)C(=O)OC	MCULE-4595890601,EMOLS-id_324353901	270.26	YRMUDASMBLQMBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037055
FCCNC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319780287	270.26	YVKPTUWTXMXUIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037056
[O-]C(=O)C1CCn2c1ccc2C(=O)c1ccc(O)cc1	PC-id_74600227	270.26	PIQMOWBWPFGZMW-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-037057
[O-]C(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccc(O)cc1	PC-id_29918857	270.26	PIQMOWBWPFGZMW-LLVKDONJSA-M	00000010100000110000000010000000000000000000000000000000	25-01-037058
[O-]C(=O)[C@H]1CCn2c1ccc2C(=O)c1ccc(O)cc1	PC-id_29918860	270.26	PIQMOWBWPFGZMW-NSHDSACASA-M	00000010100000110000000010000000000000000000000000000000	25-01-037059
c1(C(=O)OC)c2C(C)CCc2n(CC2CC2(F)F)n1	EMOLS-id_330990326,MCULE-2356188477	270.275	YFTXEHKCDDBHSC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037060
c1(C(=O)OC)c2C(C)CCc2nn1CC1CC1(F)F	EMOLS-id_330976177,MCULE-7168269555	270.275	MZRMWESJKLQEOW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037061
FC(=C(CCOC(=O)c1n(C)nc2c1CCC2)C)F	SCHEMBL4770702,PC-id_23020122	270.275	AFJUENOTCNWQDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037062
CC1CCC(CN1C(=O)C1NCc2c1c[nH]n2)(F)F	EMOLS-id_319280314	270.278	WEKOIYMIJPTBLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037063
O=C(C1NCc2c1c[nH]n2)N1CCCC(CC1)(F)F	MCULE-6823016957,EMOLS-id_319940684	270.278	UYLDXPPXUXOIHV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-037064
O=C(C1NCc2c1c[nH]n2)NCCC1(C)CC1(F)F	EMOLS-id_320258011,MCULE-7324961519	270.278	PNNRNNNMGJEMSI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037065
O=C(N1CCC(C1)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101577003	270.278	JKYZCEWJDUEFSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037066
O(c1occ2c1C(=O)OC2)CCC(=C)c1ccccc1	PC-id_11161543	270.28	QCRBCJOMOIZRDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037067
CCn1c(nc2c1CNC2)C(=N/C(=N/C(F)F)/C)N	PC-id_144979449	270.282	SOBBKCLIXXDAIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037068
CCn1c(nc2c1CNC2)C(=N)N(C(=N)C)C(F)F	PC-id_144979437	270.282	IVCFRXQLMYKQLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037069
c1(C(=O)Nc2ccc(cc2)C(=O)C)c2CCCc2on1	CHEMBL1307933,ChEMBL-DNDi_CHEMBLC226-3256,PC-id_16188851,MCULE-4502626886,EMOLS-id_15971924,CHEBI:121560,ChEMBL-DNDi_CHEMBL1307933	270.283	IKFPLCJKATWICF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037070
c1(C(=O)Nc2cccc(C(=O)C)c2)c2CCCc2on1	MCULE-2596931866,TIMTEC265885,EMOLS-id_15971942,PC-id_3361106,ZINC22_426306	270.283	KMFALQMKQCWQJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037071
O1c2c(n(c(c2C)C(=O)c2ccc(N)cc2)C)CC1=O	SCHEMBL7682457,PC-id_18424283	270.283	RXZSLYCSRPQLKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037072
o1nc2CCCc2c1NC(=O)c1ccc(cc1)C(=O)C	PC-id_16942294	270.283	MAVRWUBAKBUIOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037073
O=C1c2n(CC1)c(NC(=O)c1ccc(OC)cc1)cc2	PC-id_71362590	270.283	NNXZTGYLACDPSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037074
O=C1C(Cn2c1ccc2)CC(=O)Nc1ccc(O)cc1	PC-id_56694741	270.283	PEEWQRXEENSRSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037075
O=C1C(Cn2c1ccc2)CNc1ccc(cc1)C(=O)O	TIMTEC28562,PC-id_23761917	270.283	MRUFJANRYQKGDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037076
O=C(C[C@H]1Cn2c(C1=O)ccc2)Nc1ccc(cc1)O	PC-id_95989006	270.283	PEEWQRXEENSRSY-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-037077
O=C(C[C@@H]1Cn2c(C1=O)ccc2)Nc1ccc(cc1)O	PC-id_95989007	270.283	PEEWQRXEENSRSY-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037078
OC(=O)C1CCn2c1ccc2C(=O)c1c(N)cccc1	PC-id_85749675	270.283	JGJOWKLGDCICRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037079
[O-][N+](=O)C[C@@H]1[C@@H](Cc2ccccc2)C(=O)n2c1ccc2	PC-id_102129739	270.283	USXIZFVQBJJBIE-CHWSQXEVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037080
CC[N+]1(c2c(C(=N1)N)sc(c2)C(=O)OC)C(=O)O	PC-id_91275302	270.285	BAFRNEKWWJFTTB-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-037081
O=C1N(C1=O)Nc1sc2c(c1C(=O)O)CCS2	PC-id_145830724	270.285	VTEKTJGWTVLXOW-UHFFFAOYSA-N	00010010100000000000000010000000000000000000000000000000	25-01-037082
C1Cc2c(C1)[nH]nc2C(=O)N/N=Cc1ccccc1O	CoCoCo_695790,CoCoCo_695792,PC-id_136823980	270.287	NOPKZAWUTSKKSR-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037083
C1Cc2c(C1)[nH]nc2C(=O)N/N=Cc1ccc(cc1)O	PC-id_135781721,SPECS-id_AT-225/JK15202,CoCoCo_695786,CoCoCo_695788	270.287	LQPBEKLYWRMPRD-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037084
c1(C(=O)Nc2ccc(cc2)C(=O)N)c2CCCc2[nH]n1	MCULE-3472349851,PC-id_110678729,EMOLS-id_180404695	270.287	WBNMXNFYBNARRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037085
c1(C(=O)Nc2ccccc2C(=O)N)c2CCCc2[nH]n1	MCULE-3474326129,PC-id_110678728,EMOLS-id_180404692	270.287	MJOPXARZUODKDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037086
c1(C(=O)NN=Cc2ccccc2O)c2CCCc2[nH]n1	EMOLS-id_299999120,MCULE-8718024885	270.287	NOPKZAWUTSKKSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037087
c1(C(=O)NN=Cc2ccc(cc2)O)c2CCCc2[nH]n1	MCULE-4224967994	270.287	LQPBEKLYWRMPRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037088
c1(C(=O)NN=Cc2cccc(O)c2)c2CCCc2[nH]n1	PC-id_5396693,MCULE-8077456700	270.287	VCTZRZCDTWGLKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037089
Cc1c(ccc(c1)O)Nc1c2c(=C)c(nn2[nH]c1=O)C	PC-id_90690396	270.287	QPGMVULEBLXINB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037090
Cc1c(ccc(c1)O)N=C1c2c(c(nn2NC1=O)C)C	SCHEMBL14342484,PC-id_136192837	270.287	LBBVUXWDTHHFNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037091
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3)c2C1	BindingDB-id_21782,SCHEMBL2921266,BindingDB_PC-id_23586142,PC-id_23586142,CHEMBL204090	270.287	QFUFUFXGHREKDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037092
CC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1ccccc1	SCHEMBL12307387,PC-id_46184409	270.287	GNFAQUFKDSHZBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037093
Cn1nc2c(c1/C=C/c1cnc(C(=O)O)cn1)CCC2	PC-id_146140820,ZINC22_899386546	270.287	OEGVJSMQPUGGAH-AATRIKPKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037094
N#Cc1c(C)nn(c1NC(=O)c1occ2c1CCC2)C	EMOLS-id_278183810	270.287	XGVQTTOFMWZYKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037095
N#Cc1oc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-4984531295,EMOLS-id_320101951	270.287	ZYDRVNFKCSGPFK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-037096
Oc1cccc(c1)/C=NNC(=O)c1[nH]nc2c1CCC2	SPECS-id_AT-225/JK15203,CoCoCo_698268,CoCoCo_698266	270.287	VCTZRZCDTWGLKS-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037097
Oc1ccc(cc1)/C=N/NC(=O)c1n[nH]c2c1CCC2	STOCK3S-31442,PC-id_135444066,CoCoCo_695785,EMOLS-id_640672,SCHEMBL13313591,CoCoCo_695787,SCHEMBL3501048	270.287	LQPBEKLYWRMPRD-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037098
Oc1ccccc1/C=N/NC(=O)c1n[nH]c2CCCc12	CoCoCo_695789,PC-id_135457626,EMOLS-id_627621,CoCoCo_695791,STOCK3S-39440,TIMTEC337875	270.287	NOPKZAWUTSKKSR-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037099
Oc1cccc(/C=N/NC(=O)c2n[nH]c3CCCc23)c1	EMOLS-id_25880316,CK1942527,CoCoCo_698265,CoCoCo_698267,PC-id_5343074	270.287	VCTZRZCDTWGLKS-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037100
O=C(c1cc2c([nH]1)cco2)NCc1n[nH]c2c1CCC2	EMOLS-id_318814778	270.287	LALCXALUPGIUDA-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-037101
O=C(N1CCn2c1ncc2)c1cc(=O)[nH]c(c1)C1CC1	EMOLS-id_319661937	270.287	BCLYBYBFLAMHBD-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-037102
O=C(n1nc(NC(=O)c2ccccc2)c2c1CNC2)C	PC-id_71477107	270.287	DSEGQLWGHPFDKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037103
O=C(NC1NNc2c1cn(c2)C(=O)C)c1ccccc1	PC-id_5327124	270.287	KHCSBBLPLKKIKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037104
O=C(NN/C=C
/C=CC(=O)C=C1)c1n[nH]c2CCCc12	PC-id_5336789	270.287	TZDGVKXCRTZHSU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-037105
O=C(NN/C=C/1C(=O)C=CC=C1)c1n[nH]c2CCCc12	PC-id_5342681	270.287	AMFQUIDCUSHQIA-HJWRWDBZSA-N	00000010100011000001000010000000000000000000000000000000	25-01-037106
O=C(NN/C=C
/C(=O)C=CC=C1)c1n[nH]c2CCCc12	PC-id_6733008	270.287	AMFQUIDCUSHQIA-CMDGGOBGSA-N	00000010100011000001000010000000000000000000000000000000	25-01-037107
O=C(NNC=C1C(=O)C=CC=C1)c1n[nH]c2CCCc12	PC-id_6745129	270.287	AMFQUIDCUSHQIA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-037108
O=C(NN=CC=Cc1occc1)c1n[nH]c2CCCc12	PC-id_3641603	270.287	CDNRFVDIMOIGRC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-037109
N#Cc1n(C)ncc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318997191	270.29	MAQQGSZHZXDSDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037110
N#Cc1n(C)ncc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318842666	270.29	SMGBECSDILCACT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037111
O=C(N1CCn2c1ncc2)Nc1nccc(n1)C1CC1	MCULE-5755671249,EMOLS-id_320031606	270.29	WGBYHPVFRWHUSY-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-037112
Cn1ccnc1c1nnn(c1)Cc1nnc2n1CCC2	PC-id_72884526,MCULE-7410541965,EMOLS-id_46058909	270.293	NWBIJRCLXGERTJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-037113
c12CN(Cc1nn(CCF)c2CNC)C(=O)OCC	EMOLS-id_324350563,MCULE-4664548400	270.303	MKVKBIMNRLEOSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037114
CCN(CC)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960111	270.303	FWHHQGZCVPWWFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037115
c12CN(Cc1nn(CCF)c2C#N)Cc1ccccc1	EMOLS-id_324357994,MCULE-9302085437	270.305	HBWMXRPCGVRTDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037116
CC(C)(C)OC(=O)N1Cc2nc(C(=O)O)sc2C1	EMOLS-id_50368724,PC-id_59676949,ZINC22_62716720,SCHEMBL12035965,MCULE-6954098980	270.305	HJCSXJBMSSXPGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037117
CCOC(=O)CNc1nc2c(s1)CCC2C(=O)O	PC-id_113395716,EMOLS-id_314733533	270.305	MGFPMGMQRDXZDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037118
CCOC(=O)N1Cc2c(C1)c(c(s2)C(=O)OC)N	SCHEMBL623301,PC-id_66747844	270.305	PZYZFYKQVUIYPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037119
COC(=O)CCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_314713023,PC-id_104288084	270.305	CPJSTDOXPYWTEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037120
COC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288306	270.305	RCGWWKZQGWUPMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037121
O=C(c1occ2c1CCC2)N1CC(C1)S(=O)(=O)N	EMOLS-id_319445201	270.305	AIOWSKGPCCWKJN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-037122
S1C(c2n(nc(c2C(=O)OC)C(=O)OC)C1)(C)C	PC-id_16723498	270.305	ODABZGUIIQSIDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037123
S1(=O)(=O)Cc2c(nn(c2)CCCOC(=O)C=C)C1	PC-id_10730741	270.305	DJJUFTACMHJKGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037124
S1(=O)(=O)Cc2n(ncc2C1)CCCOC(=O)C=C	PC-id_10563964	270.305	QSWDNFJZPRLDMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037125
c1(NC(=O)CCC(=O)OCC)nnc2SCCn12	ZINC22_8600520,PC-id_16031339,EMOLS-id_16349357,MCULE-9373098100,ChEMBL-DNDi_CHEMBLF2079-0025,CoCoCo_2590470	270.308	UKAOBMOOFUVHEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037126
CNC(=O)ON=C1n2c(OC)cnc2SC1(C)C	PC-id_54447664,SCHEMBL11193408	270.308	WSRIDGQVJGSUQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037127
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)C1CC1	PC-id_91271710	270.308	QZIYQYBXLZIUCB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037128
NC(=O)NCCNc1sc2c(n1)C(CC2)C(=O)O	PC-id_104289231,EMOLS-id_315823074	270.308	DHZDBIHXEOIXJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037129
O=C1CN(CN1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224058	270.308	BANIPFQOYSMCNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037130
O=C1NCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100175855	270.308	RRLOHMFQTOWYAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037131
O=C(C1CC1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2922824,PC-id_68442158	270.308	ULSSJXVJACGDST-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037132
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C#N	ZINC22_76583,CoCoCo_3268201,EMOLS-id_6764535,MCULE-7122874843,PC-id_698854	270.31	LCCPWLBWLIWYRP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037133
s1c2CCCc2nc1NC(=O)c1ncc(cc1)C#N	PC-id_63717650	270.31	FLNRINHYDOJACV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037134
c1(C#N)c2CCCc2sc1N=Cc1ccc(cc1)F	PC-id_824124,MCULE-8734754666	270.325	CESMVEOICYAICI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037135
Fc1ccc(/C=N/c2sc3CCCc3c2C#N)cc1	BAS-00323549,EMOLS-id_25781537,PC-id_9591149,ZINC22_100507582,SPECS-id_AG-690/09140002,CoCoCo_40018	270.325	CESMVEOICYAICI-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037136
N#Cc1c(/N=Cc2ccc(cc2)F)sc2c1CCC2	CoCoCo_40019	270.325	CESMVEOICYAICI-NVMNQCDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037137
c1(C(=O)O)c2CCCc2n(Cc2cc(C)ccc2C)n1	MCULE-2434862999,PC-id_82305927	270.326	FGMOESSYZPHICB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037138
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)C)n1	EMOLS-id_330984699,MCULE-3684506904	270.326	QHAVARHXKXZRGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037139
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2C)n1	EMOLS-id_330989043,MCULE-7606658026	270.326	WXWSYHRFQLCRRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037140
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(C)c2)n1	EMOLS-id_330988788,MCULE-2163884023	270.326	VODWAPDVJBPOAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037141
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)C	EMOLS-id_330967735,MCULE-7632657492	270.326	UWRKLCDPXGKZTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037142
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1C	EMOLS-id_330967999,MCULE-1576290995	270.326	QTICODKDLYCRSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037143
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(C)c1	EMOLS-id_330971824,MCULE-1218937923	270.326	COCWGUANEZERHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037144
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2)n1	MCULE-4665811341,EMOLS-id_330993649	270.326	JBJNLWPEUQTGPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037145
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1	EMOLS-id_330971325,MCULE-1666883434	270.326	FTGCKXQODDHFPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037146
c1(NC(=O)Cc2cc(C)ccc2C)onc2CCCc12	PC-id_16942426,Chemmine_45378,EMOLS-id_16850901,MCULE-4424876478,CoCoCo_5123880,ZINC22_8736920	270.326	STTHCMHPHTVYIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037147
Cc1ccc(c(c1)C)CC(=Nc1onc2c1CCC2)O	PC-id_16942390,CoCoCo_5123857,Chemmine_45371	270.326	TXLUPXKRXVVTFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037148
CCOc1ccc(cc1)NCC1Cn2c(C1=O)ccc2	PC-id_54537825,SCHEMBL8829592	270.326	ZBATUAHIMAWSQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037149
CCOC(=O)c1nn(c2c1CCC2)Cc1ccccc1	PC-id_54375111,SCHEMBL10479516	270.326	UVYAYYNGSWVMPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037150
COc1ccccc1Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330984637,MCULE-8655235604	270.326	LJLNQPSTFKCPOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037151
COc1ccccc1Cn1nc(C=O)c2C(C)CCc12	MCULE-6696672198,EMOLS-id_331004914	270.326	KXXGMKOHRPGRGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037152
COc1ccc(cc1)C(=O)c1cc(n2c1N(C)CC2)C	PC-id_102242069	270.326	VUFKJNUEWNUNED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037153
COc1cccc(Cn2nc3CCC(C)c3c2C=O)c1	EMOLS-id_330981564,MCULE-1544697412	270.326	ULVYXESFWLDNFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037154
COc1cccc(Cn2nc(C=O)c3C(C)CCc23)c1	EMOLS-id_331005936,MCULE-4333393710	270.326	VNLDKGOKKCJDKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037155
COc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1	MCULE-2765078633,EMOLS-id_330984121	270.326	NTFLGYVIRSUKGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037156
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1	MCULE-5773398230,EMOLS-id_331000318	270.326	CFFHQSIVDHELLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037157
COC(=O)c1cc2c([nH]1)CCC2Cc1cc(ccc1)N	PC-id_88986208,SCHEMBL12952158	270.326	NOMAPLFKLLCJIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037158
o1nc2CCCc2c1NC(=O)Cc1cc(c(cc1)C)C	PC-id_16942427	270.326	XJKRYVGMBJBHMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037159
o1nc2CCCc2c1NC(=O)Cc1ccc(CC)cc1	PC-id_16942429	270.326	OVMKDWMKKJKWRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037160
O=C1c2n(CC1)c(CNc1ccc(OCC)cc1)cc2	PC-id_56694740	270.326	IOMYDIJWJPSNFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037161
O=C(c1occ2c1CCC2)Nc1cccc(c1)N(C)C	EMOLS-id_319091690	270.326	GGKJMUULXAARQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037162
O=C(c1occ2c1CCC2)NCCCc1cccnc1	EMOLS-id_319378491	270.326	ABBFBLKYNHAISN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-037163
OC(=O)C1CCc2n(c(nc12)CCc1ccccc1)C	PC-id_84011011	270.326	AXIMXCDUDSQHTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037164
OC(=O)C1CCc2[nH]c(nc12)CCc1ccc(cc1)C	PC-id_84010930	270.326	COFJLAAERLDQSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037165
OC(=O)c1n(nc2c1CCC2)Cc1ccc(cc1)CC	PC-id_82305921	270.326	PWBWKFZBWWZOHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037166
OC(=O)c1n(nc2c1CCC2)Cc1c(ccc(c1)C)C	PC-id_82305925	270.326	AYSVDZHNPBTTAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037167
OC(=O)c1n(nc2c1CCC2)Cc1c(cc(cc1)C)C	PC-id_82305929	270.326	QTKDYDBXGUANAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037168
OC(=O)c1n(nc2c1CCC2)CCCc1ccccc1	PC-id_82305934	270.326	HYCWLMBIMDYITP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037169
OC(=O)c1nn(c2CCCc12)Cc1ccc(cc1)CC	PC-id_82305923	270.326	KDQIAOWVHMZHJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037170
OC(=O)c1nn(c2CCCc12)Cc1c(cc(cc1)C)C	PC-id_82305931	270.326	ZKXDCVDLGIFAIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037171
OC(=O)c1nn(c2CCCc12)CCCc1ccccc1	PC-id_82305935	270.326	VBIJGJXCZRKCOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037172
CC(=CCN1C(=O)c2cscc2S1(O)O)C#N	PC-id_88689441,SCHEMBL10907594	270.328	BHQVSHUTZNYICE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037173
CC(=CC#N)CN1C(=O)c2cscc2S1(O)O	SCHEMBL10907592,PC-id_88689439	270.328	XPAPLWLELGWTTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037174
S1(=O)(=O)N(CCCCC#N)C(=O)c2c1csc2	PC-id_13321931	270.328	HOOUKNKOULEHJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037175
c1ccc(nc1)OCc1n[nH]c2c1CN(C2)CC1CC1	PC-id_97406026	270.33	GQLCXPMMJHEHGA-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-037176
c1(C(=O)Nc2ccc(cc2)N(C)C)c2CCCc2[nH]n1	PC-id_110388932,EMOLS-id_179744864,MCULE-3305483451	270.33	CWIAGMAZLPDXGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037177
c1(C(=O)Nc2cccc(N(C)C)c2)c2CCCc2[nH]n1	EMOLS-id_334971014,MCULE-8654712825	270.33	PEOIDXNFBIWRAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037178
c1(C(=O)Nc2ccc(N(C)C)cc2)cn2c(CCC2)n1	MCULE-5725674174,EMOLS-id_321295324	270.33	AKHGFLAJYIUMMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037179
c1(C(=O)NC(CC)c2ccncc2)c2CCCc2[nH]n1	EMOLS-id_49869514,MCULE-8023198768,PC-id_77080358	270.33	CSYBZKGPXQHYNT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037180
c1(C(=O)N(C)CCc2ccncc2)c2CCCc2[nH]n1	MCULE-1308860802,PC-id_110388844,EMOLS-id_179744607	270.33	GCQNTOSUFWLUJC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037181
c1(C(=O)N(C)CCc2ccncc2)cn2c(CCC2)n1	EMOLS-id_321296853,MCULE-6632983165	270.33	VORRMOKTFDWOLF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037182
Cc1cccc(c1)CN(C(=O)C1NCc2c1c[nH]n2)C	MCULE-4525847466,EMOLS-id_320242458	270.33	JNNQSBOUVVSUSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037183
Cc1ccccc1NCCC(=O)N1CCn2c1ccn2	EMOLS-id_318022698,MCULE-5581016028	270.33	ZKRCYLJSMPLFOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037184
Cc1cc(C)cc(C(=O)NCc2nnc3n2CCC3)c1	EMOLS-id_31867756,ZINC22_15525217,MCULE-4964637526,PC-id_17513928	270.33	BWDJUZDFUHKTFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037185
Cc1cccc(C(=O)NCc2nnc3n2CCC3)c1C	PC-id_25600792,EMOLS-id_45742971,CoCoCo_4560462,ZINC22_12915257,MCULE-4008841037	270.33	DTMYXJMRZIKCHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037186
Cc1ccc(C(=O)NCc2nnc3n2CCC3)cc1C	MCULE-5947855555,EMOLS-id_177167377,ZINC22_15545183,PC-id_17521818	270.33	PSGSSDPYMPEAAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037187
Cc1ccc(C(=O)NCc2nnc3n2CCC3)c(C)c1	EMOLS-id_31870875,ZINC22_57531656,MCULE-7969734286,PC-id_24248059	270.33	LGNSOSYUPDDCAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037188
Cc1cc(C)nc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319067578	270.33	XUHFZJBNHXGWBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037189
Cc1ccc(NC(=O)NCc2n[nH]c3c2CCC3)cc1	EMOLS-id_49641208,MCULE-2825915020,PC-id_74231206,ZINC22_97179307	270.33	DHOVSHCWPFJQJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037190
Cc1cc(N(C)C(=O)c2c3c(nn2C)CCC3)ccn1	EMOLS-id_316964603,ZINC22_904285847,MCULE-7016491148,PC-id_136570295	270.33	APXGPHIXJIPRRI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037191
Cc1cnccc1CCNC(=O)c1cn2c(n1)CCC2	MCULE-3382953312,ZINC22_521626894,EMOLS-id_316911523	270.33	OFGDBLRFUNQQPT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037192
Cc1cnc(c(c1)C)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319434951	270.33	FDXIXMOMNGNJNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037193
Cc1cnc(c(c1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318865059	270.33	PWKCDFQYZZQNSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037194
Cc1cnc(c(c1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320134163,MCULE-5784222125	270.33	HKVMZJUEADSLSC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037195
Cc1nc(C)cc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320049731,MCULE-1648003966	270.33	XBRIHCLSCPMFQH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037196
Cc1nc(C)cc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319323994	270.33	VNFSQAXHQNWTQP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037197
Cc1nnc2CC(CNC(=O)Cc3ccccc3)Cn12	EMOLS-id_323952731,MCULE-9309815783,PC-id_145928468	270.33	UKKAIJMIQMEOJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037198
Cc1nnc2n1C[C@@H](CNC(=O)Cc1ccccc1)C2	ZINC22_1857688631	270.33	UKKAIJMIQMEOJB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037199
Cc1nnc2n1C[C@H](CNC(=O)Cc1ccccc1)C2	ZINC22_1857688632	270.33	UKKAIJMIQMEOJB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037200
CCc1ccccc1CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320176216,MCULE-5501050786	270.33	GOGDXVPUKRNAHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037201
CCc1ccc(cc1C)NC(=O)N1CCn2c1ncc2	EMOLS-id_319771217	270.33	LLSZGQSPVHNHBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037202
CCc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_31867758,MCULE-9583047767,PC-id_17503310,ZINC22_15519983	270.33	IXTXRYFMSZBBST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037203
CCc1cccnc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319153177	270.33	ZZRYPUGRLPFWSW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037204
CCc1ccnc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-3779776184,EMOLS-id_320114040	270.33	DPCKJCPHNOGIDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037205
CCc1ccnc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319525809	270.33	ZLHUKXNHXWNAQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037206
CCc1ccnc(CNC(=O)c2n[nH]c3c2CCC3)c1	PC-id_136539626,ZINC22_684789894,MCULE-5751864460,EMOLS-id_316898127	270.33	CPSLPGWSXUVTKC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037207
CCc1cncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320298609,MCULE-7481354362	270.33	PVCIGAIJJOAYHT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037208
CC[C@H](c1ccccn1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_278935784	270.33	FZEUYBMYJLAPBQ-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037209
CC[C@@H](c1ccccn1)NC(=O)c1cn2c(n1)CCC2	MCULE-3434280801,EMOLS-id_320043594	270.33	FZEUYBMYJLAPBQ-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-037210
CC[C@@H](c1ccccn1)NC(=O)c1cnc2n1CCC2	EMOLS-id_316562790	270.33	DZXLXCHNHOILGO-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-037211
CC[C@H](c1ccccn1)NC(=O)c1cnc2n1CCC2	MCULE-4099424645,EMOLS-id_319883978	270.33	DZXLXCHNHOILGO-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037212
CC[C@H](c1ccccn1)NC(=O)c1cnn2c1CCC2	EMOLS-id_278935684	270.33	RHIAJEJHCRZTFS-GFCCVEGCSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037213
CC[C@H](c1ccccn1)NC(=O)c1n[nH]c2c1CCC2	MCULE-7909360899,EMOLS-id_320081271	270.33	LSRBOSOONAYYBN-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037214
CC[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccncc1	PC-id_99607610,ZINC22_124769121	270.33	CSYBZKGPXQHYNT-GFCCVEGCSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037215
CC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccncc1	ZINC22_124768933,PC-id_99607608	270.33	CSYBZKGPXQHYNT-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037216
CCCn1nc(c(c1C)C=C1Cn2c(C1=O)ncc2)C	EMOLS-id_278685860	270.33	BMVBIBLNBRDTHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037217
C[C@H](c1nccnc1C)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319579483	270.33	XSLBADJCKUXVNN-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037218
C[C@@H](c1nccnc1C)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320211473,MCULE-7890357758	270.33	XSLBADJCKUXVNN-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-037219
C[C@H](N(C(=O)c1cnc2n1CCC2)C)c1cccnc1	MCULE-3114971588,EMOLS-id_320184335	270.33	UDSJREYDWULZPY-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-037220
CCN(c1cnccc1)C(=O)c1c2CCCc2nn1C	MCULE-5433425179,PC-id_136561108,EMOLS-id_316993652	270.33	KLGMMSRNXLWMEU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037221
CCN(Cc1ccncc1)C(=O)c1n[nH]c2c1CCC2	ZINC22_95949464,MCULE-9934552715,EMOLS-id_48338358,PC-id_75461228	270.33	ZQZUZWSAFDYURC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037222
CCOC(=N)c1ccc(cc1)CN1CCn2c1ccn2	SCHEMBL18960795	270.33	VYFZEQGBEBKUOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037223
CC(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2917107,PC-id_68440186	270.33	SWBGQUHYUJDORZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037224
CC(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68440189,SCHEMBL2917110	270.33	ILZGVUGWGJQQGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037225
CC(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91225749	270.33	AMZMNPUOAPNDDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037226
Cn1ccc(n1)[C@@H]1C[C@H]1NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319078080	270.33	ORTDKJUQUUQGFH-GXFFZTMASA-N	00100010100000000001100010000000000000000000000000000000	25-01-037227
Cn1ncc(c1)[C@@H]1C[C@H]1NC(=O)c1[nH]c2c(c1)CCC2	MCULE-3333312146,EMOLS-id_319972061	270.33	ZMSIZUDVKLXLIL-WCQYABFASA-N	00100010100000000001100010000000000000000000000000000000	25-01-037228
CNc1ccccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_317959332	270.33	JTYKZQIAFAXZCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037229
CN(C(=O)c1cccc(c1)NC1CCn2c1ncc2)C	MCULE-4767392904,EMOLS-id_317918361	270.33	SUPAKEIFCIWUMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037230
CN(C(=O)c1cn2c(n1)CCC2)[C@@H](c1cccnc1)C	EMOLS-id_319093333	270.33	CARDGNBPWMWICZ-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037231
CN(C(=O)c1[nH]c2c(c1)CCC2)CCc1ncccn1	EMOLS-id_320158298,MCULE-2885231201	270.33	VFZJLJKVXLSLTM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037232
CN(C(=O)c1n[nH]c2c1CCC2)[C@H](c1cccnc1)C	EMOLS-id_318976048	270.33	JYKKZWCNPASITM-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-037233
COc1ccc(cc1)Cn1nc(c2c1CCC2)C(=N)N	PC-id_118087946,SCHEMBL16731505	270.33	IEDDYSFFBYWDDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037234
n1c(CNC(=O)CCc2cccnc2)c2c(CCC2)[nH]1	EMOLS-id_50537365,ZINC22_220433297,PC-id_90650487,MCULE-8163347644	270.33	VNHHKERSVXAVSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037235
Nc1ccc(cc1)CCNC(=O)c1n[nH]c2c1CCC2	PC-id_119547533	270.33	SSPSYUNZGMRVCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037236
Nc1ccc(c(c1)C(=O)Nc1n(C)nc2c1CCC2)C	PC-id_120639225	270.33	CTUATPRJPGWUHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037237
NC(c1ccccc1)CNC(=O)c1n[nH]c2c1CCC2	PC-id_119527487	270.33	DASQCOBQUGZQGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037238
NCc1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_119345961,MCULE-1046601805,EMOLS-id_301477633	270.33	RTAXXSRICVWGCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037239
O=C(c1cccc(c1N)C)Nc1n(C)nc2c1CCC2	EMOLS-id_319529210	270.33	JLUOSSNVFAWQGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037240
O=C(c1cccc(c1N)C)NCc1cnc2n1CCC2	EMOLS-id_317974616,MCULE-3015501313	270.33	HWSFAWFNKMRIQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037241
O=C(c1ccc(c(n1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101677925	270.33	WQTRNOOVENIFHM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037242
O=C(c1ccc(c(n1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319745487	270.33	FGXROESCMADKCW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037243
O=C(c1cnc2n1CCC2)Nc1ccc(nc1)C(C)C	EMOLS-id_320033525,MCULE-4419883052	270.33	HQHAOSCMBBRTLM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037244
O=C(c1cnc2n1CCC2)NCCCc1cccnc1	EMOLS-id_319860011	270.33	PKRSYRKDFWSBPN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037245
O=C(c1c[nH]cc1C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319124193	270.33	WREQIEUOQSCBHY-UHFFFAOYSA-N	00100010110000000001100010000000000000000000000000000000	25-01-037246
O=C(c1cnn2c1CCC2)Nc1cccc(c1)N(C)C	EMOLS-id_318952406	270.33	BEYRUVCTMHEQEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037247
O=C(c1cnn2c1CCC2)Nc1ccc(nc1)C(C)C	EMOLS-id_319828129,MCULE-5874941879	270.33	LLXQHTCUXRDDHL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037248
O=C(c1cnn2c1CCC2)NCCCc1cccnc1	EMOLS-id_319396084	270.33	MTOWKFVOFQSVCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037249
O=C(C1NCc2c1c[nH]n2)Nc1cccc(c1)C(C)C	MCULE-8840706733,EMOLS-id_320254790	270.33	BXRPBSUGHMBGQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037250
O=C(C1NCc2c1c[nH]n2)N(Cc1ccccc1C)C	EMOLS-id_318855278	270.33	VPCDQURSOACNLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037251
O=C(C1NCc2c1c[nH]n2)NCc1c(C)cccc1C	EMOLS-id_319561308	270.33	ZMOFFKDUEHPOAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037252
O=C(C1NCc2c1c[nH]n2)NCc1cc(C)cc(c1)C	EMOLS-id_319685004	270.33	FRYBVFFVZXOWTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037253
O=C(C1NCc2c1c[nH]n2)NCCc1ccccc1C	MCULE-9549046744,EMOLS-id_320124259	270.33	YHMXGEBTFAZUGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037254
O=C(c1ncc(c(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_318977222	270.33	HDOLNBSYYHDEAE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037255
O=C(c1[nH]c2c(c1)CCC2)NCc1n[nH]c2c1CCC2	EMOLS-id_319293129	270.33	TZORBYUILLRGIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037256
O=C(c1n[nH]c2c1CCC2)NCCc1ccncc1C	EMOLS-id_98018965	270.33	FXFRVHJMHPTZGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037257
O=C(Cc1cccnc1C)NCc1cnc2n1CCC2	EMOLS-id_319487510	270.33	MCSZQWKHZWENDQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037258
O=C(Cc1ccc(nc1)C)NCc1cnc2n1CCC2	EMOLS-id_320164473,MCULE-7237275510	270.33	IPGCCFCSEQCRHG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037259
O=C(Cc1cccnc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318952838	270.33	CQIXCUVOKGPDRQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037260
O=C(Cc1cnccc1C)NCc1cnc2n1CCC2	EMOLS-id_319339216	270.33	GLFPYVRRQAIYCL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037261
O=C(Cc1cnccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319506477	270.33	VHFGFPMAPKSEGM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037262
O=C(N1CCn2c1ccn2)CNc1c(C)cccc1C	MCULE-4271629646,EMOLS-id_318148292	270.33	PHPXZBDOGMUPLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037263
O=C(N1CCn2c1ncc2)CNc1c(C)cccc1C	EMOLS-id_316583631	270.33	LBJBNILTXCFJIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037264
O=C(N1CCn2c1ncc2)Nc1ccc(cc1)C(C)C	MCULE-6219391281,EMOLS-id_320111262	270.33	VKUPNTFQFHPZJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037265
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(cc1)N	PC-id_119822830	270.33	YOSQDXLEYHWVAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037266
O=C(NCc1cnc2n1CCC2)CCc1ccccn1	EMOLS-id_319302781	270.33	YXTJHIAADNFQQP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037267
O=C(NCc1cnc2n1CCC2)CCc1cccnc1	EMOLS-id_320077412,MCULE-5721218733	270.33	CFSYVYAMIWJKTI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037268
O=C(NCc1cnc2n1CCC2)CCc1ccncc1	EMOLS-id_319168084	270.33	WSYQZWXOMZLUOD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037269
O=C(N(CCc1ncccc1)C)c1n[nH]c2c1CCC2	PC-id_78879950	270.33	UOPJWCKKBPDMHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037270
Cc1ncc(s1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-3580160460,EMOLS-id_316472745	270.331	XYVXBRYUCZTNAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037271
O=S(=O)(c1cnc2n1CCC2)Nc1nccs1	EMOLS-id_100474928	270.331	JZHDNPBUPXELDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037272
O=S(=O)(c1[nH]ncc1)Nc1sc2c(n1)CCC2	PC-id_102692851	270.331	QBQZXUVVNJLARW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037273
O=S(=O)(N1Cc2c(C1)cn[nH]2)Cc1ncsc1	EMOLS-id_319163193	270.331	MTSCDSYSXRHLBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037274
s1c2CCCc2nc1NS(=O)(=O)c1c[nH]nc1	PC-id_61363416	270.331	RUOKFNFOWAHSJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037275
s1c2CCCc2nc1NS(=O)(=O)c1[nH]cnc1	PC-id_64155197	270.331	JBMZHTRNZXOZMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037276
C1CCN(C1)c1nccc(n1)NC1CCn2c1ncc2	EMOLS-id_318963539	270.333	NTJHODBRYPDVBE-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-037277
C1Cn2c(C1)nnc2Cn1cc2c(n1)C1CCN2CC1	MCULE-5796406986,EMOLS-id_320104331	270.333	AFCZXTSSUNNHGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037278
Cc1cccc(c1)NC(=NCc1nnc2n1CCC2)N	PC-id_111039225	270.333	BKJATVGQMMOHBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037279
Cc1ccc(cc1)NC(=NCc1nnc2n1CCC2)N	PC-id_111039249	270.333	YRUVREYSTBWBPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037280
N#Cc1cc(cn1C)CNC(c1nnc2n1CCC2)C	PC-id_103203018	270.333	KJELUSZYWHBECO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-037281
NN/N=C(/c1nn(c2c1CCC2)Cc1ccccc1)N	PC-id_143195732	270.333	GXGCMJYMBGCHQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037282
S1(=O)(=O)C(c2c(C1C)c(oc2)C(=O)C)CCCC	PC-id_14977731	270.345	ZRMRIWKTFFFXAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037283
S1(=O)(=O)C(c2c(C1C)coc2C(=O)C)CCCC	PC-id_14977732	270.345	QULCHXDUYKEOGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037284
S1(=O)(=O)C(c2c(C1)coc2C(=O)C)(CCCC)C	PC-id_10038784	270.345	AKEIMTYTOPKYNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037285
S1(=O)(=O)C(c2c(C1)c(oc2)C(=O)C)(CCCC)C	PC-id_9970363	270.345	WPXWAEAEKNYKLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037286
S1(=O)(=O)[C@H](c2c([C@@H]1C)c(oc2)C(=O)C)CCCC	PC-id_10333347	270.345	ZRMRIWKTFFFXAZ-ONGXEEELSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037287
S1(=O)(=O)[C@H](c2c([C@H]1C)coc2C(=O)C)CCCC	PC-id_10423271	270.345	QULCHXDUYKEOGE-KOLCDFICSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037288
S1(=O)(=O)[C@H](c2c([C@@H]1C)coc2C(=O)C)CCCC	PC-id_9970364	270.345	QULCHXDUYKEOGE-ONGXEEELSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037289
c12CN(Cc1sc(N)c2CO)C(=O)OC(C)(C)C	MCULE-9598012299,EMOLS-id_331065379	270.348	FMQCIMUQUGFNPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037290
CC(C)(C)C(N1Cc2c(C1)sc(c2)C(=O)NO)O	PC-id_91367173	270.348	FBOHJLJCEKYUAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037291
CCOCCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_315067836,PC-id_113395665	270.348	QXLGLOBGAWHITB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037292
CCOCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288222	270.348	KSVITPAEKQEWND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037293
CCOCCN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104289127,EMOLS-id_261177822	270.348	CWEPBCDHUDYCRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037294
CC(OCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104766932	270.348	HABBXGIXFVEHKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037295
CCOC(CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_116134580	270.348	IZVDDMHMVUDQIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037296
COCCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288196,EMOLS-id_314718392	270.348	DUAVSGVKOMFBSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037297
COCCCN(c1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_315825121,PC-id_104288677	270.348	XHZWGXMHWXPKSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037298
COCCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288940	270.348	NKAKLERCFKVRKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037299
COCC(CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_113395747	270.348	YIJMMFJVOFZMGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037300
COCCN(c1nc2c(s1)CCC2C(=O)O)CC	EMOLS-id_314736266,PC-id_104288340	270.348	FJQRWVCYEORASM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037301
COCCNc1nc2c(s1)CCC2C(=O)OCC	EMOLS-id_314736522,PC-id_104287448	270.348	GCEDVSBMZOTQGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037302
COCC(Nc1nc2c(s1)CCC2C(=O)O)CC	PC-id_104288897	270.348	PPKRKSNWWCVVSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037303
COC(CNc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_104766951	270.348	JFXGLOHQXXGNKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037304
COCC(N(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395725	270.348	BVHLIPPYBYQKAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037305
COCC(Nc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_113470868,EMOLS-id_315898586	270.348	DFONDKFLXGLHJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037306
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)n1	MCULE-6482420680,PC-id_4614259	270.349	YWTLGABLODWDOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037307
O=C(Nc1nc2CCCc2s1)/C=C/c1ccccc1	EMOLS-id_181475053,PC-id_6164605	270.349	YWTLGABLODWDOQ-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037308
s1c2CCCc2cc1C(=O)NN=Cc1ccccc1	PC-id_85015453	270.349	UXKPUBAWKKGTQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037309
CC1CC(c2n1ccn2)NS(=O)(=O)N1CCCC1	EMOLS-id_101320490	270.351	GRXWOLICMBAAAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037310
CC1CCCCN1S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317943395	270.351	ANDIYFBXDDCPHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037311
CC1CCCCN1S(=O)(=O)N1CCn2c1ncc2	MCULE-6556659121,EMOLS-id_316436332	270.351	NWWMFEGRBTXXLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037312
OC(c1sc2c(c1)CCC2)CCCc1ccccc1	PC-id_115791077	272.405	AILABHHXFZYDBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038656
CC1CCN(CC1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-9327942555,EMOLS-id_316440737	270.351	VBFQZXONZMIWJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037313
CC1CNCCN1S(=O)(=O)c1cnc2n1CCC2	MCULE-6093418791,EMOLS-id_303015501,PC-id_121700151	270.351	PYLKEGQFEYXRNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037314
CC1NCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302851483,MCULE-3512327129,PC-id_120875170	270.351	ZNGAHALIQLAZKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037315
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1CC1	EMOLS-id_100293714	270.351	XIWQIQMCBVVDQV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037316
C[C@@H]1CNCCN1S(=O)(=O)c1cnc2n1CCC2	MCULE-6086200754,EMOLS-id_303015245,PC-id_121706441	270.351	PYLKEGQFEYXRNP-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037317
C[C@H]1CNCCN1S(=O)(=O)c1cnc2n1CCC2	PC-id_121706538,MCULE-1051157554,EMOLS-id_302979949	270.351	PYLKEGQFEYXRNP-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-037318
C[C@H]1NCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302984551,PC-id_121704383,MCULE-7807440642	270.351	ZNGAHALIQLAZKY-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037319
C[C@@H]1NCCN(C1)S(=O)(=O)c1cnc2n1CCC2	MCULE-8529173964,PC-id_120875748,EMOLS-id_302888857	270.351	ZNGAHALIQLAZKY-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-037320
CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188390	270.351	OHPOAIQVFCHFMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037321
Cn1ncc2c1CN(C2)S(=O)(=O)N1CCCCC1	EMOLS-id_316610109	270.351	IDCGLTVBSWVYEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037322
CNC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	MCULE-8417210630,EMOLS-id_303028060,PC-id_120999249	270.351	XIPGQLKMGIRZLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037323
CN(C1CN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100226458	270.351	LSADPBPRVSONRY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037324
CN([C@@H]1CCNC1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_253415908	270.351	BJVXJIWCHJVZHE-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037325
CN([C@H]1CCNC1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_253415909	270.351	BJVXJIWCHJVZHE-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-037326
CN(S(=O)(=O)c1cnc2n1CCC2)C1CNCC1	EMOLS-id_302890653,MCULE-8109989454,PC-id_120875042	270.351	BJVXJIWCHJVZHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037327
CN(S(=O)(=O)NCc1n[nH]c2c1CCC2)C1CC1	EMOLS-id_319894118,MCULE-7031041202	270.351	YPWOGIMZOPGUOV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037328
CS(=O)(=O)C1CCc2c1[nH]nc2NC1CNCC1	PC-id_114697947	270.351	GIAWEGVFPZBESM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037329
NC1(CCC1)CNS(=O)(=O)c1cnc2n1CCC2	MCULE-6628393683,EMOLS-id_303018849,PC-id_121703704	270.351	HIHSOVIJVJGTLU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037330
NC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	MCULE-4826667271,PC-id_120874360,EMOLS-id_302903715	270.351	DRPFZCMCPMOQJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037331
NC1CN(CC1C)S(=O)(=O)c1cnc2n1CCC2	PC-id_121705795,EMOLS-id_303012708,MCULE-8759085586	270.351	PDWTUIMOKSQUNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037332
NC(C1CC1)CNS(=O)(=O)c1cnc2n1CCC2	PC-id_121705127,EMOLS-id_303008382,MCULE-9349326082	270.351	PLQVTGDZECVFEZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037333
NCC1CCCN1S(=O)(=O)c1cnc2n1CCC2	PC-id_120875352,EMOLS-id_302858666,MCULE-6363505687	270.351	IQLVITSPJPMBJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037334
NCC(C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302861220,PC-id_120875308,MCULE-4050996686	270.351	QNPUTJVVMADYRS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037335
N[C@@H]1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302999143,PC-id_121704759,MCULE-9576255346	270.351	DRPFZCMCPMOQJJ-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037336
O=S(=O)(c1cnc2n1CCC2)N1CCNCCC1	PC-id_120999355,MCULE-6169516831,EMOLS-id_303035731	270.351	YIHMAJSZSATGGV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-037337
O=S(=O)(c1cnc2n1CCC2)NC1CCCNC1	EMOLS-id_302853785,PC-id_120874551,MCULE-9089936819	270.351	NWLVWNAKCMVSIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037338
O=S(=O)(c1cnc2n1CCC2)NC1CCNCC1	EMOLS-id_302887043,PC-id_120874429,MCULE-9964956138	270.351	ZDXIJBBVSRDHPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037339
O=S(=O)(c1cnc2n1CCC2)NCC1CCCN1	MCULE-1998569006,PC-id_121700773,EMOLS-id_303017309	270.351	QCWPLFXWYQIUPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037340
O=S(=O)(c1cnc2n1CCC2)NCC1CNCC1	EMOLS-id_303026784,PC-id_121707273,MCULE-4647920016	270.351	AUXONEWLDLFJGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037341
O=S(=O)(c1cnc2n1CCC2)NCCN1CCC1	EMOLS-id_100207015	270.351	IOIPAIZMSVXKTF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037342
O=S(=O)(c1cnc2n1CCC2)N[C@H]1CCCNC1	EMOLS-id_303017064,PC-id_121706344,MCULE-5208701360	270.351	NWLVWNAKCMVSIE-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-037343
O=S(=O)(c1cnc2n1CCC2)N[C@@H]1CCCNC1	PC-id_120876442,EMOLS-id_302859937,MCULE-7955765406	270.351	NWLVWNAKCMVSIE-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037344
O=S(=O)(N1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319211425	270.351	MOIFEBLKNZTHHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037345
O=S(=O)(N1CCn2c1ncc2)N1CCCCCC1	EMOLS-id_316740869	270.351	NGIKBBQZMDAIPQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-037346
O=S(=O)(NC1CC1)CCNC1CCn2c1ncc2	EMOLS-id_318959597	270.351	BXTIAFCNFUUFQJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037347
s1c2CN(Cc2nc1N)CC(=O)NCCCOC	PC-id_82194254	270.351	HAJMKTKDAFDGHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037348
S1(=O)(=O)CC(NC(c2n3CCCc3nn2)C)CC1	PC-id_55158735	270.351	DIFWCESBGSOVMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037349
N#Cc1nc(NCc2sc3c(c2)CCC3)nc(c1)C	PC-id_107551986	270.353	UQRKAJTWJMIJHL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037350
s1c2CCCc2nc1Nc1c(c(nc(c1)C)C)C#N	PC-id_81061339	270.353	CBBWTTKAJVNCNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037351
s1c2CCCc2nc1Nc1nc(cc(c1C#N)C)C	PC-id_61511754	270.353	XRBMWUYNGKTEFH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037352
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)C(C)C	EMOLS-id_331022060,MCULE-4015021922	270.369	PJLDIMSVPLAODE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037353
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)CCC	MCULE-8973924659,EMOLS-id_331021804	270.369	OHNOTJJHTFIFKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037354
c12C(C)CCc1nn(Cc1ccc(cc1C)OCC)c2	MCULE-4183926924,EMOLS-id_331000998	270.369	OEJVEDOWRRPFFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037355
c12C(C)CCc1nn(Cc1ccc(cc1)OC(C)C)c2	EMOLS-id_330998439,MCULE-9094715695	270.369	JXHNZHLHFVESTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037356
c12C(C)CCc1nn(Cc1ccc(cc1)OCCC)c2	MCULE-5908310740,EMOLS-id_330998183	270.369	KOQSNFCXCFIYIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037357
c12C(C)CCc1nn(Cc1ccc(c(C)c1C)OC)c2	EMOLS-id_331001766,MCULE-1957187524	270.369	LMORSKZNELJYAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037358
c12C(C)CCc1nn(Cc1ccc(c(C)c1)OCC)c2	MCULE-6015870307,EMOLS-id_330998951	270.369	MCHKLDTYBWGLOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037359
c12C(C)CCc1nn(Cc1c(C)cc(c(C)c1)OC)c2	EMOLS-id_330997927,MCULE-6261102950	270.369	NCOQQQDWTVIBCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037360
c12C(C)CCc1nn(Cc1cc(C)c(c(C)c1)OC)c2	MCULE-1850744360,EMOLS-id_330998695	270.369	RBYXQCQAEJNOPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037361
CC1(c2cccn2CC1(C)NOCc1ccccc1)C	PC-id_134864266	270.369	XITJFJAROAKHSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037362
CC1CCc2c1c(CO)nn2Cc1c(C)cccc1C	MCULE-3502204797,EMOLS-id_331010044	270.369	SIEMVDHBQZHVKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037363
CC1CCc2c1c(CO)nn2Cc1cccc(C)c1C	MCULE-3570575215,EMOLS-id_331006205	270.369	BLWHPRMSLHCFOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037364
CC1CCc2c1c(CO)nn2Cc1cc(C)ccc1C	MCULE-7756860206,EMOLS-id_331009788	270.369	LTTJORNMCBTKBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037365
CC1CCc2c1c(CO)nn2Cc1ccc(C)cc1C	MCULE-7850475569,EMOLS-id_331007477	270.369	PJSUKTGTZDNJOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037366
CC1CCc2c1c(CO)nn2Cc1cc(C)cc(C)c1	EMOLS-id_331009533,MCULE-2012975036	270.369	HBMIWJRMQPVUDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037367
CC1CCc2c1c(CO)nn2Cc1ccc(C)c(C)c1	MCULE-9633423535,EMOLS-id_331010036	270.369	AOYYKMNUFQBURW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037368
CC1CCc2c1c(O)nn2Cc1cc(C)c(C)cc1C	MCULE-1076359160,EMOLS-id_330960884	270.369	CAPUAQZWNYXCQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037369
CC1CCc2c1c(O)nn2Cc1c(C)cc(C)cc1C	MCULE-9222882220,EMOLS-id_330957045	270.369	SIKIRVRQUVRYEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037370
CC1CCc2nn(Cc3cc(C)ccc3C)c(CO)c12	EMOLS-id_330992567,MCULE-1244423199	270.369	IRNYQTJPRKNEFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037371
CC1CCc2nn(Cc3cccc(C)c3C)c(CO)c12	EMOLS-id_330993079,MCULE-6674203277	270.369	IXCOSZVUUJVASJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037372
CC1CCc2nn(Cc3c(C)cccc3C)c(CO)c12	MCULE-1521176185,EMOLS-id_330992823	270.369	NOZISQVJAOWNSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037373
CC1CCc2nn(Cc3ccc(C)cc3C)c(CO)c12	MCULE-4523040205,EMOLS-id_330990256	270.369	YSPDCMNLYFXZEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037374
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(CO)c12	EMOLS-id_330988735,MCULE-3213296528	270.369	QIUAEUKHNNDDIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037375
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(O)c12	MCULE-6772048377,EMOLS-id_331007138	270.369	IVTYKFIOVANATE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037376
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(CO)c12	MCULE-7656145026,EMOLS-id_330992312	270.369	YOKHPVRERWFLMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037377
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(O)c12	MCULE-9469125112,EMOLS-id_331007394	270.369	KTUCIIIPQAMFAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037378
CCc1ccccc1C(C)n1nc2CCC(C)c2c1O	EMOLS-id_331008423,MCULE-6568428712	270.369	PVMCWFLAQKQSMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037379
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1O	MCULE-1253616431,EMOLS-id_331008163	270.369	VXCMRHILNBJUHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037380
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1O	MCULE-2384438126,EMOLS-id_331006886	270.369	DWWYUFHBUSEJJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037381
CC(c1ccccc1C)n1nc2CCC(C)c2c1CO	MCULE-6918988857,EMOLS-id_330990781	270.369	SMQRZBZRBJVEPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037382
CCc1ccccc1Cn1nc2CCC(C)c2c1CO	MCULE-9967248670,EMOLS-id_330993335	270.369	XCYQYKCWKXDJEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037383
CCc1ccccc1Cn1nc(CO)c2C(C)CCc12	MCULE-6915595797,EMOLS-id_331006461	270.369	JMPRZIOABAZFOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037384
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1O	EMOLS-id_331006630,MCULE-2360657456	270.369	PFIQUPKKIKBFJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037385
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1O	EMOLS-id_331007910,MCULE-8965489527	270.369	LYSHTXCSSADLAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037386
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1O	EMOLS-id_331008679,MCULE-5345316849	270.369	PYBOSBFVKHSNNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037387
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1O	MCULE-4556523897,EMOLS-id_331008419	270.369	JNYOTCLQCRYFLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037388
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1CO	EMOLS-id_330990265,MCULE-9807558106	270.369	UDSDVGDEGZSDRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037389
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1CO	EMOLS-id_330993083,MCULE-2727137298	270.369	HCXAOXAYCHQWGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037390
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1O	EMOLS-id_331007654,MCULE-8960586432	270.369	SGZMSLVAGWGTPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037391
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1O	EMOLS-id_331007907,MCULE-8034033580	270.369	GEUSXWMUFBEPJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037392
CCc1cccc(Cn2nc3CCC(C)c3c2CO)c1	EMOLS-id_330992568,MCULE-6152168202	270.369	XUYTUVVBAJUOSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037393
CCc1cccc(Cn2nc(CO)c3C(C)CCc23)c1	EMOLS-id_331009789,MCULE-9225540096	270.369	CTYXHGMQBUBLEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037394
CCc1ccc(Cn2nc3CCC(C)c3c2CO)cc1	MCULE-3984869899,EMOLS-id_330988991	270.369	RWRZFIVEJVLKRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037395
CCc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1	EMOLS-id_331006197,MCULE-2006525078	270.369	CUIQMCORTYEMJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037396
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1O	EMOLS-id_331007650,MCULE-3821225309	270.369	INFMJTWBQHHPGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037397
CC(C)c1ccccc1Cn1nc(O)c2C(C)CCc12	EMOLS-id_330957301,MCULE-4999582337	270.369	GNROMAAIYUBEMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037398
CC(C)c1cccc(Cn2nc3CCC(C)c3c2O)c1	EMOLS-id_331006371,MCULE-8125613681	270.369	HURXZDGXQMDJBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037399
CC(C)c1cccc(Cn2nc(O)c3C(C)CCc23)c1	MCULE-2418232572,EMOLS-id_330960117	270.369	LORAHFPYUKSVQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037400
CCCc1ccc(Cn2nc3CCC(C)c3c2O)cc1	EMOLS-id_331002538,MCULE-6928536522	270.369	DZIXMZZDIGFLOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037401
CC(C)c1ccc(Cn2nc3CCC(C)c3c2O)cc1	EMOLS-id_331002794,MCULE-6953993591	270.369	IOXAQSLKOFMJDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037402
CCCOc1ccc(Cn2ncc3C(C)CCc23)cc1	EMOLS-id_331016425,MCULE-7061234903	270.369	BCDNGVJJQTZXRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037403
CC(C)Oc1ccc(Cn2ncc3C(C)CCc23)cc1	EMOLS-id_331016681,MCULE-6848711358	270.369	PDGZAOFJUQIXDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037404
CCOc1ccc(cc1)C(C)n1cc2C(C)CCc2n1	MCULE-6053193202,EMOLS-id_331001518	270.369	WUFFYEMNNVWKSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037405
CCOc1cccc(c1)C(C)n1cc2C(C)CCc2n1	MCULE-7077966623,EMOLS-id_331002785	270.369	YJGUGXVZXCUHLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037406
CCOc1ccc(Cn2ncc3C(C)CCc23)cc1C	EMOLS-id_331017193,MCULE-2492344587	270.369	ZHBUQIQDLQFDQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037407
CCOc1ccc(Cn2ncc3C(C)CCc23)c(C)c1	MCULE-9620344631,EMOLS-id_331015145	270.369	BMWHOFCVNWEYOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037408
COc1ccc(cc1C)C(C)n1cc2C(C)CCc2n1	EMOLS-id_330999982,MCULE-5932378832	270.369	KQPQASDHATXVBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037409
COc1ccc(C(C)n2cc3C(C)CCc3n2)c(C)c1	EMOLS-id_331000238,MCULE-3482820813	270.369	SNJLWXBKCDQQEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037410
COc1cc(C)c(Cn2ncc3C(C)CCc23)cc1C	EMOLS-id_331016169,MCULE-6035600957	270.369	UVLKHZJGIZLPFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037411
COc1c(C)cc(Cn2ncc3C(C)CCc23)cc1C	MCULE-3940487514,EMOLS-id_331016937	270.369	SCMOSHYRZQOHNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037412
COc1ccc(Cn2ncc3C(C)CCc23)c(C)c1C	EMOLS-id_331015913,MCULE-7407042295	270.369	OPQWEEJRJGZNQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037413
O(c1c(CNC2CC(n3c2ccc3)(C)C)cccc1)C	PC-id_3352820	270.369	ZKKXGTIKTSIYDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037414
c1(NC(=S)NC)sc2c(CCC2)c1C(=O)OC	BindingDB-id_93890,CoCoCo_1961474,MCULE-3775278244,BindingDB_PC-id_3594117,EMOLS-id_6777794,ZINC22_13572742,TIMTEC428308,ChEMBL-DNDi_CHEMBL8012-4053,CHEMBL1471406,ChEMBL-DNDi_CHEMBL1471406,PC-id_3594117	270.371	RLOYILWRARHJMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037415
c1(NC(=S)N)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_30073089,PC-id_2771019,MCULE-9416844317	270.371	HJYZZYQAWWUBJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037416
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)S	SCHEMBL21082573,PC-id_138706288	270.371	SQGIWOFODPDLEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037417
CCCS(=O)(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_315251443,PC-id_64593128	270.371	VDVCXKAENHSZJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037418
N#Cc1c(sc2c1CCC2)NS(=O)(=O)C(C)C	EMOLS-id_314437873,PC-id_64593125	270.371	IDUZNQVNBJFMRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037419
OC(=O)C1CCc2c1nc(s2)NC1CSCC1	PC-id_103065174	270.371	BBNIFFQCVFFJOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037420
s1c2CCCc2cc1C(=O)NNC(=O)CSC	PC-id_35825564	270.371	ZUCJWBKEBKTGNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037421
s1c2c(CCC2)c(c1NC(=O)CSC)C(=O)N	PC-id_47097287	270.371	MZJFKNYXYBPZMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037422
c12CN(Cc1nn(C)c2CN(C)C)Cc1ccccc1	MCULE-2330210671,EMOLS-id_324352103	270.373	WCQIEBWVQQFUTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037423
c12CN(Cc1nn(CCC)c2CN)Cc1ccccc1	EMOLS-id_324350048,MCULE-1193662637	270.373	AFYSTBFZQQZGTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037424
c12CN(Cc1nn(C(C)(C)C)c2N)Cc1ccccc1	EMOLS-id_324337767,MCULE-2635094082	270.373	BMIVBEFFHXNZHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037425
c1(CN(C)CCCc2cccnc2)c2CCCc2[nH]n1	EMOLS-id_55667767,ZINC22_244828547,PC-id_91837858,MCULE-6797711316	270.373	TYEWEWPVQPEKSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037426
CC1CC(c2n1ccn2)NCC(c1cccnc1)(C)C	EMOLS-id_318185768,MCULE-4078581312	270.373	SGNMNUNDPPDLMF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037427
Cc1ccc(c(c1)C)CNC(c1nnc2n1CCC2)C	PC-id_43433210,MCULE-1401038491,EMOLS-id_317922451	270.373	STFHEZOGDCHORP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037428
Cc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)C	MCULE-2228957646,PC-id_60756247,EMOLS-id_317956446	270.373	ZQJHCOJOUFGFFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037429
Cc1ccc(c(n1)C)C(NC1CC(n2c1ncc2)C)C	MCULE-6478441551,EMOLS-id_318093104	270.373	LHEKBCQIYNXMKM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037430
Cc1ccc(cn1)C(NCc1cnc2n1CCC2)(C)C	EMOLS-id_318203558,MCULE-5840014380	270.373	FXFSZBIKBMYTMQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037431
Cc1cc(CNC(c2nn3c(c2)CCC3)C)cc(n1)C	MCULE-8323925464,EMOLS-id_318131688	270.373	GFNYAWLVQHZSBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037432
Cc1cc(CNC(c2nnc3n2CCC3)C)cc(c1)C	MCULE-5267659756,EMOLS-id_317949334,PC-id_61651142	270.373	XXYVVEOZQIWRJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037433
Cc1cnc(c(c1)C)CCNC1CC(n2c1ncc2)C	MCULE-1401178459,EMOLS-id_317949833	270.373	IOWVEKAWUVCAIE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037434
Cc1ncc(c(c1)C)CNC(c1nn2c(c1)CCC2)C	MCULE-1851076821,EMOLS-id_318175317	270.373	MCAZCNSGXFGOFY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037435
CCc1cnccc1C(NC1CC(n2c1ncc2)C)C	MCULE-8039843840,EMOLS-id_318160213	270.373	APVVSQPFDICGBC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037436
CC(c1nn2c(c1)CCC2)NCc1ccc(c(n1)C)C	EMOLS-id_318028950,MCULE-7616547176	270.373	WBLRAFXDQYBIMI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037437
CC(c1nn2c(c1)CCC2)NC(c1cnccc1C)C	MCULE-8176016317,EMOLS-id_318308101	270.373	ZKVITERWKFGQNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037438
CC(c1nnc2n1CCC2)NCc1cccc(c1C)C	EMOLS-id_317942951,PC-id_61526352,MCULE-7399069622	270.373	HIYGNKJCHGGXFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037439
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)C)C	MCULE-6218616320,EMOLS-id_317946000,PC-id_43791512	270.373	IPDSWPALWBDSHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037440
CC(c1nnc2n1CCC2)NCc1c(C)cccc1C	PC-id_81926393,MCULE-5866312178,EMOLS-id_317925256	270.373	QBQCZEQWGWNALW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037441
CC(C(c1ncccc1C)NC1CCn2c1ncc2)C	EMOLS-id_318129376,MCULE-3751931379	270.373	JIXBQNJUDNMJHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037442
CC(NC(c1cc2n(n1)CCC2)C)Cc1ccccn1	EMOLS-id_318366966	270.373	KHZJYWBHZMLLRT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037443
CN(c1ccccc1CNC1CC(n2c1ncc2)C)C	EMOLS-id_317997980,MCULE-1745577576	270.373	FSIFRTSSSOREJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037444
CN(c1cccc(c1)CNC1CC(n2c1ncc2)C)C	EMOLS-id_318119402,MCULE-8585994614	270.373	QTFPKLCXNUWGEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037445
CN(C(c1ccccc1)CNC1CCn2c1ncc2)C	EMOLS-id_316855707,MCULE-8173640577	270.373	DDZHYNIZSMNVTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037446
CN(Cc1ccc(c(c1)NC1CCn2c1ncc2)C)C	EMOLS-id_318224802,MCULE-7816818036	270.373	OFTZVAJPXILCFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037447
CN(C)[C@@H](CN[C@@H]1CCn2ccnc12)c1ccccc1	ZINC22_293860111	270.373	DDZHYNIZSMNVTH-CABCVRRESA-N	00000010100000110001000010000000000000000000000000000000	25-01-037448
CN(C)[C@@H](CN[C@H]1CCn2ccnc12)c1ccccc1	ZINC22_293860117	270.373	DDZHYNIZSMNVTH-GJZGRUSLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037449
CN(C)[C@H](CN[C@@H]1CCn2ccnc12)c1ccccc1	ZINC22_293860123	270.373	DDZHYNIZSMNVTH-HUUCEWRRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037450
CN(C)[C@H](CN[C@H]1CCn2ccnc12)c1ccccc1	ZINC22_293860126	270.373	DDZHYNIZSMNVTH-LSDHHAIUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037451
CN([C@H](c1ccccc1C)C)CC1CCc2n1ncn2	EMOLS-id_317352460,MCULE-2959789734	270.373	BJUNLKNOXMNTCY-LSLKUGRBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037452
n12CCCc1nnc2C(NCc1ccc(cc1)CC)C	PC-id_43433213	270.373	ABBSIRJKZJFYSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037453
n12CCCc1nnc2C(NC(c1c(cccc1)C)C)C	PC-id_43748136	270.373	SKRHVSRDTAISQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037454
n12CCCc1nnc2C(NC(c1ccc(cc1)C)C)C	PC-id_43748144	270.373	UKQRVCZMNFBBSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037455
n12CCCc1nnc2C(NC(c1cc(ccc1)C)C)C	PC-id_43791505	270.373	HLXIQKXFSWJIPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037456
n12CCCc1nnc2C(NCc1c(CC)cccc1)C	PC-id_62392286	270.373	PTBBSMQMHZDZCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037457
n12CCCc1nnc2C(NCC(c1ccccc1)C)C	PC-id_43748038	270.373	HWIHHEXYSAVKAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037458
n12CCCc1nnc2C(NCCCc1ccccc1)C	PC-id_43748039	270.373	ZKUDIHMZHXLFMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037459
n12CCCc1nnc2C(NC(CC)c1ccccc1)C	PC-id_43748169	270.373	RQJLAZZTORKORV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037460
N1(C(C(C)C)c2nn(c(N)c2C1)C)Cc1ccccc1	PC-id_83851655	270.373	PFLMLYKOHASJMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037461
s1c(C(O)(C(C)(C)C)C(C)(C)C)c2OCOc2c1	PC-id_10869372	270.388	UTNRTMUHUFJZTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037462
S1(=O)(=O)C(c2c(C1CCCC)coc2)CCCC	PC-id_85626780	270.388	YSAGWQNHXDXVDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037463
Cc1cc(cc(c1)C)CC(=O)c1sc2c(c1)CCC2	PC-id_113656022	270.389	SVMGOABRLLMMLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037464
Cc1cc(C)c(cc1C(=O)c1sc2c(c1)CCC2)C	PC-id_113657759	270.389	RUEVIWYBFCHBKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037465
CCc1ccc(cc1)CC(=O)c1sc2c(c1)CCC2	PC-id_113656056	270.389	JAXLMPJEGIGMSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037466
CCCc1cccc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_115812237	270.389	XJHVBLFGKLARLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037467
OC(c1sc2c(c1)CCC2)CC1Cc2c1cccc2	PC-id_115816613	270.389	OBISBNGZCJYCJC-UHFFFAOYSA-N	00001010100000100000001010000000000000000000000000000000	25-01-037469
O=C(c1sc2c(c1)CCC2)Cc1c(C)cccc1C	PC-id_115792621	270.389	AIJIKAGGVHQBRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037470
O=C(c1sc2c(c1)CCC2)CCCc1ccccc1	PC-id_113656957	270.389	JMAOATKELCABTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037471
s1c2CCCc2cc1C(=O)c1c(cc(cc1C)C)C	PC-id_43462605	270.389	XZZMHAQHMJILNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037472
s1c2CCCc2cc1C(=O)c1ccc(CCC)cc1	PC-id_43462762	270.389	YRELQDAFFSRHQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037473
s1c2CCCc2cc1C(=O)c1ccc(C(C)C)cc1	PC-id_43625100	270.389	JSEBFCKREMQORP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037474
s1c2CCCc2cc1C(=O)Cc1c(ccc(c1)C)C	PC-id_63527524	270.389	AQNCMWQVMAHBNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037475
s1c2CCCc2cc1C(=O)Cc1cc(c(cc1)C)C	PC-id_63528390	270.389	YSSKIAOYXNCSOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037476
COCC(CCNC(c1sc2c(n1)CCC2)C)O	PC-id_110017327	270.391	HIKFKUTUZSHFFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037477
COCCNCc1nc2c(s1)C(OC2(C)C)(C)C	PC-id_79917623,EMOLS-id_315470895	270.391	SYTDWYOGNIULPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037478
COCCNC(c1sc2c(n1)CCC2)(COC)C	PC-id_62542087,EMOLS-id_314851024	270.391	YKWQDERGQCIRNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037479
OCC(CN(Cc1sc2c(n1)CCC2)C)(CO)C	PC-id_109974934	270.391	HKKKNZXQKXOOTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037480
OCCC(NCc1sc2c(n1)CCC2)(COC)C	PC-id_109948697	270.391	NAOJLPRFEXUHIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037481
s1c2CCCc2nc1C(N)c1cc(C2CC2)ccc1	PC-id_79980148	270.393	WUJOMRIFLWSRLN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037482
s1c2CCCc2nc1C(N)c1ccc(C2CC2)cc1	PC-id_79980229	270.393	LKYDCFIKUZFLNM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037483
s1c(nc2c1CCC2)C(NC1CC1)c1ccccc1	PC-id_61335662	270.393	JPUHDLSJXAPVLN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-037484
s1c(nc2CCCc12)C(N)c1c(C2CC2)cccc1	PC-id_79982842	270.393	DWFMDPDZDQQHKO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037485
c12SCCn1cc(CNC(C)CN(C)CCO)n2	EMOLS-id_290018727,MCULE-8445597716	270.394	YFUIGDZWPRTRPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037486
C[C@@H](CN(C)CCO)NCc1cn2c(n1)SCC2	ZINC22_952980149	270.394	YFUIGDZWPRTRPA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-037487
C[C@H](CN(C)CCO)NCc1cn2c(n1)SCC2	ZINC22_952980155	270.394	YFUIGDZWPRTRPA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037488
O=S1N(Cc2c1ccs2)CC1(N)CCCCC1	PC-id_143363214	270.414	UIFUXUOXVCXIFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037489
s1c(c2c(c1C(C)(C)C)CS(=O)C2)C(C)(C)C	PC-id_15683900	270.454	VRYNCTNDHCRCBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037490
CCCNC(c1sc2c(n1)CCC2)CCSC	EMOLS-id_38237710,PC-id_61334795	270.457	BKTONGKBUUBMPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037491
CCSCCC(c1sc2c(n1)CCC2)NCC	PC-id_116504467	270.457	AXFYYUOOURKGCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037492
CSCCC(c1sc2c(n1)CCC2)NC(C)C	PC-id_61333661,EMOLS-id_38238132	270.457	CONFHBAPBNBYNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037493
CSCCCC(c1sc2c(n1)CCC2)NCC	PC-id_113774002	270.457	LXDMTOKJBPSETC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037494
CC([Si](OC[C@H]1CCc2[n+]1ccs2)(C)C)(C)C	SCHEMBL10064958,PC-id_68023660	270.486	OPAFDEINASEGMJ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037495
s1c2[n+](C(CC2)CO[Si](C(C)(C)C)(C)C)cc1	PC-id_77389933	270.486	OPAFDEINASEGMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037496
C[Si](c1sc(c2c1COC2)[Si](C)(C)C)(C)C	PC-id_145767390	270.538	XARMOKOQASIYNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037497
Clc1ccc(C(=O)c2n3CCC(c3cc2)C#N)cc1	PC-id_21331544,SCHEMBL11352958	270.714	PTMLUPXMTTYXFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037498
Clc1cc(C(=O)c2n3CCC(c3cc2)C#N)ccc1	SCHEMBL11340159,PC-id_21331541	270.714	INIKTLZKIKRCKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037499
Clc1c(C(=O)c2n3CCC(c3cc2)C#N)cccc1	PC-id_21331543,SCHEMBL11347304	270.714	KUJYOXTZOFKHNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037500
CN1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960031	270.715	KOWMEHYXYKBYLZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037501
ClCCCCC(=O)NC(c1n2CCCc2nn1)C	EMOLS-id_314055515,PC-id_43696342	270.758	PKUINZNDUBOTKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037502
ClCCCCC(=O)N(Cc1n2CCCc2nn1)C	PC-id_54875384,EMOLS-id_315198877	270.758	KHTVAODGMFDQDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037503
ClCC(C(=O)NC(c1n2CCCc2nn1)C)(C)C	EMOLS-id_315266625,PC-id_55245048	270.758	TWIYDQLTOFPPRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037504
ClCC(C(=O)N(Cc1n2CCCc2nn1)C)(C)C	PC-id_55245821,EMOLS-id_315268674	270.758	LPYWGRYMLDYCNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037505
Clc1sc2c(C(NC3CCCNC3=O)CC2)c1	PC-id_81252297	270.778	WROTZYWYBBDPHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037506
Clc1sc2c(C(NC3CCC(=O)NC3)CC2)c1	PC-id_81252301	270.778	NWNMDOBRFNTIRD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037507
Clc1sc2c(C(NCC3NC(=O)CC3)CC2)c1	PC-id_81252811	270.778	KYZKWMBLTRUZMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037508
Clc1sc2c(C(NCC(=O)NC3CC3)CC2)c1	PC-id_81252053	270.778	JEBZBJBXZKDNOT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-037509
O=C1C(CCN1C)NC1CCc2c1cc(s2)Cl	PC-id_103902459	270.778	AQUREMHDNRCIHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037510
O=C(N1CCCC1)NC1CCc2c1cc(s2)Cl	EMOLS-id_102734404	270.778	BIACFVACSJQTFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037511
Clc1c(scc1)C(O)c1sc2c(CCC2)c1	PC-id_80530370	270.798	GSCLYLOOSKXTHD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-037512
Clc1sc(C(O)c2sc3c(CCC3)c2)cc1	PC-id_61088743	270.798	VOMGKEIHRCZNRB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-037513
Clc1csc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_315758711,PC-id_83151819	270.801	QRHUEHBAUWBBIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037514
Clc1sc2c(c1)C(CC2)NCc1cncs1	PC-id_104585458	270.801	HTPZCABYPSZTJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037515
Clc1sc2CCC(NCc3sccn3)c2c1	PC-id_81252070	270.801	JKQKALKKQZQDFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037516
Clc1sc2c(C(NCc3ncsc3)CC2)c1	PC-id_81252707	270.801	YYXFFQJDNCGSCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037517
Clc1sc2c(C(NC3CCCN(C3)C)CC2)c1	PC-id_81251422	270.821	QPIVEDBECSVMII-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037518
Clc1sc2c(C(NC3CCC(N)CC3)CC2)c1	PC-id_81251426,MCULE-3545919627,EMOLS-id_71107890	270.821	JWEOVYBDELMSAM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037519
Clc1sc2c(C(NC3CCN(CC3)C)CC2)c1	PC-id_81252382	270.821	YIHSCIJYLVAETD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-037520
Clc1sc2c(C(NCC3CCN(C3)C)CC2)c1	PC-id_81252691	270.821	AQDXPMOSNGEWLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037521
Clc1sc2c(C(NCCN3CCCC3)CC2)c1	PC-id_81252886	270.821	HXHGOOSDSFJJAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037522
Clc1sc2c(C(NCCN(C3CC3)C)CC2)c1	PC-id_81252076	270.821	FLONRDSDTNTEQD-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-037523
CN1CCCC1CNC1CCc2c1cc(s2)Cl	PC-id_106024077	270.821	QDBOOOUWGMNJMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037524
C1C2=CN(N=C2CN1)SC3=CN(N=C3)CC(F)F	PC-id_164872292	271.07	ZIBQWTAMWFNDIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037525
C1C2=CN(N=C2CN1)SC3=NN(C=C3)CC(F)F	PC-id_164871987	271.07	ZLAKCGVLRLGLIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037526
C/C=CC(=C/C=C)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_163955717	271.121	SDEKIBNRXNHDFE-NQTKGXIKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037527
CC1C2=C(CN1C(=O)OCC3=CC=CC=C3)C=NN2C	EMOLS-id_337762862,PC-id_162361687	271.132	KWRXVAPDARGGQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037528
CC1C2=NN(C=C2CN1C(=O)OCC3=CC=CC=C3)C	EMOLS-id_337763118,PC-id_162361665	271.132	CFTNHSAWFJHMFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037529
CC1=CC=CC=C1CN2CCN3C2=C(C(=N3)C)C(=O)O	PC-id_160355374	271.132	ACMKXYGVRDUXPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037530
CCN1CC2=C(C1=O)N(N=C2)CC3=CC=C(C=C3)OC	PC-id_154637465	271.132	PHRMOIHWMZLKDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037531
BrC#CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_114853721	271.134	RBULHULZVHWUCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037532
CN1C(=C2CCCC2=N1)NC(=O)CCC3=NC=NC=C3	PC-id_154737032	271.143	QFGDVYSBYGEODL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037533
FC(F)(F)c1c2n(CCC2)cc1C(=O)C(F)(F)F	PC-id_11448627	271.159	VBHGMJQWOIDPED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037534
Brc1cc2c(s1)CCC2NCCC#N	EMOLS-id_262115526	271.177	TVOCYWHVJDWBIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037535
Clc1c2CCCc2sc1CS(=O)(=O)Cl	PC-id_84809339	271.184	CSXSAXDETVQQHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037536
O=Cc1cc2c([se]1)C(N(C2(C)C)[O])(C)C	PC-id_101507344	271.194	IOYXMUYZYZGAHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037537
Brc1n(cc2C(CCc12)CCN)C(C)C	PC-id_83913664	271.197	JXGLLVGFXGBLLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037538
Brc1n(cc2C(CCc12)CNC)C(C)C	PC-id_83913665	271.197	WMBLHBIKCQREEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037539
c12CCC(C)c1c(nn2C(CC)CC)Br	EMOLS-id_330972920,MCULE-6555364488	271.197	NGOGVUYPHGPPBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037540
c12CCC(C)c1c(nn2C(C)CC)CBr	MCULE-3863523628,EMOLS-id_331033869	271.197	BJWRMNIICJMIMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037541
c12C(C)CCc1n(nc2Br)CCC(C)C	MCULE-4150339705,EMOLS-id_330970359	271.197	OOUNJEHNYQBKIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037542
c12C(C)CCc1nn(CCC(C)C)c2Br	EMOLS-id_331019177,MCULE-4575776489	271.197	BATOKPAIHYXXQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037543
c1(Br)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_331021482,MCULE-1755728129	271.197	INDVEZOZHRQYBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037544
c1(CBr)c2C(C)CCc2nn1C(C)CC	EMOLS-id_331018162,MCULE-6915479659	271.197	NADNFVWYKGFQLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037545
CC1CCc2c1c(Br)nn2CC(C)(C)C	EMOLS-id_330972408,MCULE-7627581036	271.197	FSUQYGJGZVYVTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037546
CC1CCc2c1c(CBr)nn2C(C)(C)C	EMOLS-id_331031309,MCULE-7794591327	271.197	YQPFFYMRSDFDDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037547
CC1CCc2nn(c(CBr)c12)C(C)(C)C	EMOLS-id_331015612,MCULE-2589556728	271.197	OPLXRHZSLJAGFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037548
CC1CCc2nn(CC(C)(C)C)c(Br)c12	MCULE-7904844957,EMOLS-id_331021226	271.197	ACQFREGGXVMMOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037549
CC(C)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331022240,MCULE-5760975944	271.197	IFAWEMFJMXEZEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037550
CC(C)C(C)n1nc(Br)c2C(C)CCc12	MCULE-4831710613,EMOLS-id_330972664	271.197	JFYXBNMTJPLVCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037551
CC(C)Cn1nc2CCC(C)c2c1CBr	MCULE-3004419160,EMOLS-id_331016378	271.197	XLWPBZCOLMHCLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037552
CC(C)Cn1nc(CBr)c2C(C)CCc12	MCULE-9358945775,EMOLS-id_331032075	271.197	ALDDIXXRTULURJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037553
O=C(c1[nH]ncc1C(F)(F)F)N1Cc2c(C1)cn[nH]2	EMOLS-id_318154002	271.199	GZQQOOOOKLAGID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037554
O=C(N1CCn2c1ccn2)c1[nH]ncc1C(F)(F)F	EMOLS-id_319415046	271.199	UOOUTZBCLCEKAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037555
CCCC1=C(C)Cc2c1sc(c2Br)C	SCHEMBL16297468,PC-id_117742064	271.216	GDHJGPAFYZZFJT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-037556
CC(=C)c1sc(c2c1CC(C2)(C)C)Br	PC-id_145406066	271.216	VVTXJOQNHIINIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037557
CN1Cc2c(C1)n([nH]c2=O)S(=O)(=O)C(F)(F)F	SCHEMBL19454143	271.217	WKDIMDANLXLVQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037558
CN1CCn2c1c(c(=O)[nH]2)S(=O)(=O)C(F)(F)F	SCHEMBL19453922	271.217	URUBFZVSZWYJRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037559
O=C(N1CCn2c1ccn2)c1ncoc1c1ccon1	EMOLS-id_319388473	271.232	VNXYTPMQVNJPOF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-037560
CNc1ccc(cc1)N=C1C(=Nn2c1nnn2)C(=O)O	SCHEMBL14342461,PC-id_58776917	271.235	ICFNWSBUZWVDKC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-037561
Cc1cc(nn1Cc1nnc2n1CCC2)C(F)(F)F	EMOLS-id_319553980	271.242	NMJXZPGQJBCCPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037562
c12CN(Cc1nn(CCF)c2C(=O)OC)C(=O)OC	MCULE-6981423164,EMOLS-id_324345707	271.245	UHMIZQUUDZGUDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037563
c12CN(Cc1nn(CCF)c2C(=O)O)C(=O)OCC	EMOLS-id_324344936,MCULE-2049357619	271.245	IHZRTJXUKQHBCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037564
O=C(c1occ2c1CCC2)N1CCOCC(C1)(F)F	EMOLS-id_102721968	271.26	HDYUEOJZMDHIMV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-037565
CC1CN(CCC1(F)F)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102732281	271.263	NSQUAWGXFSZPTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037566
O=C(c1cc2n(n1)CCO2)NC1CCC(CC1)(F)F	EMOLS-id_99605431	271.263	LTKMMNJROLSEMK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037567
O=C(c1cnn2c1CCC2)N1CCOCC(C1)(F)F	EMOLS-id_102801272	271.263	OYPWQNRHRUQDAX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-037568
O=C(c1nn2c(c1)CCC2)N1CCOCC(C1)(F)F	EMOLS-id_102801233	271.263	WXPIRMVARGPTCU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-037569
O=C(c1nn2c(c1)OCC2)NCC1CCCC1(F)F	MCULE-1362036185,EMOLS-id_101407420	271.263	KSRYPWQPPPHEOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037570
O=C(c1n[nH]c2c1CCC2)N1CCOCC(C1)(F)F	EMOLS-id_102454103	271.263	RUXWTJWXFSYWBY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-037571
O=C(C(C1(O)CCCC1)(F)F)N1CCn2c1ncc2	EMOLS-id_279043842	271.263	QGDCUTXXBQKRLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037572
O=C(NC[C@H]1CCCC1(F)F)c1cc2n(n1)CCO2	ZINC22_333826440	271.263	KSRYPWQPPPHEOG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037573
O=C(NC[C@@H]1CCCC1(F)F)c1cc2n(n1)CCO2	ZINC22_333826443	271.263	KSRYPWQPPPHEOG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037574
COc1ccc(cc1)C(=O)c1cc2c(n1C)CC(=O)O2	PC-id_9903555,SCHEMBL7678182	271.268	QYWRSYQKMLEOSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037575
COc1cccc(c1)C(=O)c1cc2c(n1C)CC(=O)O2	SCHEMBL7683746,PC-id_10221106	271.268	OEADOFPDXVCTFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037576
COc1ccc(cc1)C(=O)c1[nH]c2c(c1C)OC(=O)C2	PC-id_18424199,SCHEMBL7680887	271.268	SEQUAENDPHXCGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037577
n12CCC(C(=O)O)c1ccc2C(=O)c1ccc(cc1)O	MCULE-8045955628,HMDB0060647,CHEMBL470,PC-id_3082630,SCHEMBL17369576	271.268	PIQMOWBWPFGZMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037578
n12c(C(C(=O)O)CC1)ccc2C(=O)c1c(O)cccc1	PC-id_13487048,CHEMBL9340	271.268	YVIFKVMWPOECQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037579
O(C1CCn2c1ccc2C(=O)c1ccccc1)C(=O)O	SCHEMBL8560148,PC-id_22077253	271.268	QYSGCLOUIOOMDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037580
O=C(c1cccc(O)c1)c1ccc2n1CCC2C(=O)O	CHEMBL266370,SCHEMBL14577657,PC-id_13487049	271.268	UWZMVFOQEGRQRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037581
O=C(c1ccc(O)cc1)c1ccc2n1CC[C@@H]2C(=O)O	SCHEMBL17378052,PC-id_29918861,ZINC22_21981233	271.268	PIQMOWBWPFGZMW-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-037582
O=C(c1ccc(O)cc1)c1ccc2n1CC[C@H]2C(=O)O	ZINC22_21981231,PC-id_29918858	271.268	PIQMOWBWPFGZMW-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037583
CC(C)(C)OC(=O)Nn1c(c2CC(Cn2c1=O)O)O	PC-id_90719685	271.27	IRAUVPBCIUREIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037584
COC(C1(Cn2c(O1)nc(c2)[N+](=O)[O-])C(C)C)OC	PC-id_69481131,SCHEMBL5541324	271.27	LBHWROAZVGBWSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037585
COCOCC1(Oc2n(C1)cc(n2)[N+](=O)[O-])C(C)C	PC-id_69481130,SCHEMBL5541320	271.27	UWPYIKISFXDTRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037586
C1Cc2cc(nn2C1)C=C1C2CC=C(N2C1=O)C(=O)O	PC-id_87494000,SCHEMBL3209066	271.271	JEUXABLUSCIWPB-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-037587
C1Cc2nc(cn2C1)C=C1C2CC=C(N2C1=O)C(=O)O	SCHEMBL3224431,PC-id_87496029	271.271	PXHRTRWJNPOHKG-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-037588
CCCC(=O)c1nc2n(n1)C(CC2)C(CC)(P)F	PC-id_142375353	271.271	JSFBFKPGJQFVEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037589
O=C1/C(=C/c2cn3c(n2)CCC3)/C2N1C(=CC2)C(=O)O	SCHEMBL3224419	271.271	PXHRTRWJNPOHKG-RMKNXTFCSA-N	00001011100000000001001010000000000000000000000000000000	25-01-037590
O=C1/C(=C/c2nn3c(c2)CCC3)/C2N1C(=CC2)C(=O)O	SCHEMBL3209058	271.271	JEUXABLUSCIWPB-JXMROGBWSA-N	00001011100000000001001010000000000000000000000000000000	25-01-037591
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1)C	EMOLS-id_17104895,PC-id_135635971,MCULE-5643006357,STOCK6S-50085	271.275	FOLKWCCRJOXZLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037592
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C	SPECS-id_AN-153/NB21566,STOCK6S-67876,EMOLS-id_24576548,PC-id_135649884,MCULE-4987668364	271.275	PVTGZYHSWXPYNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037593
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1C	STOCK6S-74067,MCULE-1933473650,EMOLS-id_24584289,PC-id_135629417	271.275	NVPJINPEZVNDQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037594
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(C)c1	MCULE-2418297694,EMOLS-id_24579185,STOCK6S-69976,PC-id_135649887	271.275	FOOUCLAISMEYLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037595
Cc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	ZINC22_20744982,PC-id_135950584	271.275	NVPJINPEZVNDQG-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037596
Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_20744983,PC-id_135950585	271.275	NVPJINPEZVNDQG-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-037597
Cc1cccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)c1	ZINC22_20728491,PC-id_135902292	271.275	FOOUCLAISMEYLA-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037598
Cc1cccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)c1	ZINC22_20728495,PC-id_135902293	271.275	FOOUCLAISMEYLA-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-037599
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	ZINC22_20721395,PC-id_135901942	271.275	PVTGZYHSWXPYNP-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037600
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	ZINC22_20721398,PC-id_135901943	271.275	PVTGZYHSWXPYNP-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-037601
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1)C(=O)N2	PC-id_135897616,ZINC22_13718731	271.275	FOLKWCCRJOXZLH-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037602
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1)C(=O)N2	PC-id_135897617,ZINC22_13718735	271.275	FOLKWCCRJOXZLH-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-037603
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccn1	SCHEMBL2922378,PC-id_68441956	271.275	OLRNZXWHHFDGOD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037604
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccnc1	PC-id_68440335,SCHEMBL2917503	271.275	VHDLTQXPZPTZBN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037605
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccncc1	PC-id_68441064,SCHEMBL2919794	271.275	BEFWNGLTSJSJKL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037606
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1	PC-id_68441706,SCHEMBL2921759	271.275	MUTCISAMWZUEAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037607
O=C(c1cc(O)nc(C2CC2)n1)N1Cc2c[nH]nc2C1	ZINC22_1773362627	271.275	RXPSLULAGDMWNF-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-037608
O=C(c1nn2c(c1)OCC2)Nc1ccc(nn1)C1CC1	MCULE-1072504551,EMOLS-id_99754246	271.275	JGFSNJPPIVLPPH-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-037609
c12CN(Cc1nn(C(C)(C)C)c2C#C)CC(F)(F)F	MCULE-6624804086,EMOLS-id_324359776	271.281	OWBCGUNLSZVYSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037610
COC(=O)c1cc2c([nH]1)CC/C/2=C/c1ccc(cc1)F	PC-id_66899893,SCHEMBL1081766	271.286	MFBLOFMNAAIWKR-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037611
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)F	PC-id_67269915,SCHEMBL2077300	271.286	KLGIZHRKDYBZPO-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037612
COC(=O)c1cc2c([nH]1)CC/C/2=C/c1cccc(c1)F	SCHEMBL2077297,PC-id_67269914	271.286	KLGIZHRKDYBZPO-XFFZJAGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037613
Fc1cc(C=C2CCc3[nH]c(cc23)C(=O)OC)ccc1	PC-id_67269916	271.286	KLGIZHRKDYBZPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037614
Fc1ccc(C=C2CCc3[nH]c(cc23)C(=O)OC)cc1	PC-id_66899894	271.286	MFBLOFMNAAIWKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037615
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCn2c1ccn2	MCULE-5494775613,EMOLS-id_319919252	271.29	HLOAPQFDRZOYPP-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037616
FC(c1nnc(s1)NCc1cnc2n1CCC2)F	EMOLS-id_318153453,MCULE-5801604952	271.29	RLRHOOIPSOBYJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037617
s1c2CC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)c2cc1	PC-id_4873390	271.291	ZWCDNVPLPUQRSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037618
CC1CCS(=O)(=O)N1C(=O)c1nn2c(c1)OCC2	EMOLS-id_319665145	271.293	VKCOOBACNLUGMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037619
NC(=O)OCCNc1sc2c(n1)C(CC2)C(=O)O	EMOLS-id_315138919,PC-id_104289237	271.293	GKDUYWQDZSXUFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037620
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)C1CCC1	EMOLS-id_112048226	271.293	XBEILAVBHQEWLQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037621
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)C1(C)CC1	EMOLS-id_112048343	271.293	RYLDWWCVETVKQM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037622
O=C([C@@H]1CCS1(=O)=O)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_2325824936	271.293	WLNACLBMGREFOF-BDAKNGLRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037623
O=C([C@H]1CCS1(=O)=O)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_2325824937	271.293	WLNACLBMGREFOF-DTWKUNHWSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037624
O=C([C@@H]1CCS1(=O)=O)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_2325824938	271.293	WLNACLBMGREFOF-IUCAKERBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037625
O=C([C@H]1CCS1(=O)=O)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_2325824939	271.293	WLNACLBMGREFOF-RKDXNWHRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037626
O=C(Nc1sc2c(n1)CCC2)NC[C@@H](C(=O)O)O	PC-id_107839077	271.293	CDZQNKRTPMTFET-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-037627
s1c2CCCc2nc1NC(=O)NC(CO)C(=O)O	PC-id_54963353	271.293	VHHJNSGUZDBNGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037628
s1c2CCCc2nc1NC(=O)NCC(O)C(=O)O	PC-id_66168010	271.293	CDZQNKRTPMTFET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037629
s1c2CCCc2nc1NC(=O)N[C@@H](CO)C(=O)O	PC-id_54963402	271.293	VHHJNSGUZDBNGI-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-037630
s1c2CCCc2nc1NC(=O)N[C@H](CO)C(=O)O	PC-id_80756247	271.293	VHHJNSGUZDBNGI-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037631
Oc1ccc(cc1)[N+](=C)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL3501051,PC-id_68667730	271.294	BWCFSWWQPQABIL-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-037632
S1Cc2c(noc2NC(=O)c2cc(ccc2)C#N)C1	PC-id_49718999	271.294	OQWGQBVPSPKHKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037633
S1Cc2c(noc2NC(=O)c2ccc(cc2)C#N)C1	PC-id_49719009	271.294	GZVWNGHSQTXSLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037634
O=C(C1CC1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2917758,PC-id_68440417	271.296	YVUSQIVJTUWEGC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037635
N#Cc1c(NC(=O)c2ccncc2)nc2n1CCS2	EMOLS-id_42894997,MCULE-5941150649,ZINC22_72287807,PC-id_72132820	271.298	FHXBVNPZJYYBHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037636
O=C(C(C(F)(F)C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319521515	271.306	YLPHMFIWRSPAAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037637
COc1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1004266,PC-id_59180161	271.311	JNJMVRPVTKFMPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037638
COc1cccc(c1)CC1CCc2c1[nH]c(c2)C(=O)O	PC-id_59180194,SCHEMBL1004272	271.311	ANLNVQNDJJTPLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037639
COC(=O)c1cc2c([nH]1)C(CC2)Cc1cccc(c1)O	SCHEMBL1003759,PC-id_59180152	271.311	QUPPLCVLPCHVNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037640
FC1=CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223968	271.311	SLQZYJSEGZBEHG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-037641
O([C@@]1(n2n([C@](OC)(C1(C)C)C)c(=O)n(c2=O)C)C)C	PC-id_10659722	271.313	WYDGMPYCKDRIFM-TXEJJXNPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037642
O([C@@]1(n2n([C@@](OC)(C1(C)C)C)c(=O)n(c2=O)C)C)C	PC-id_10707241	271.313	WYDGMPYCKDRIFM-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037643
O(C1(n2n(C(OC)(C1(C)C)C)c(=O)n(c2=O)C)C)C	PC-id_15247550	271.313	WYDGMPYCKDRIFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037644
c12CN(Cc1nn(CC)c2)C(=O)OCc1ccccc1	EMOLS-id_324339299,MCULE-7664173609	271.314	MGPJPYKOKLUDOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037645
c1cc(OCc2nnc3n2CCC3)cc(c1)OC1CC1	EMOLS-id_319773347	271.314	ZWLJXGIZNCYMJM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-037646
c1(C(=O)c2ccc(OCC)cc2)n2CCCc2nc1N	MCULE-6518214500,TIMTEC392876,PC-id_5200390,ZINC22_4344217,EMOLS-id_2721236	271.314	PXYSCJUQNUZETJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037647
c1(C(=O)Nc2ccccc2OC)c2CCCc2n(C)n1	PC-id_110389095,EMOLS-id_179745349,MCULE-4402118705	271.314	DGRYPUDQEFGXFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037648
c1(C(=O)Nc2ccc(cc2)OC)c2CCCc2n(C)n1	PC-id_110389097,EMOLS-id_179745355,MCULE-2791813311	271.314	NMYKRVOXSPOMIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037649
c1(C(=O)Nc2ccc(cc2)OCC)c2CCCc2[nH]n1	EMOLS-id_179744812,MCULE-1709481161,PC-id_110388915	271.314	MEEOQBHGTAVLDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037650
c1(C(=O)Nc2ccccc2OCC)c2CCCc2[nH]n1	PC-id_110388914,EMOLS-id_179744809,MCULE-7896724505	271.314	GJTFWSATDXQKRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037651
c1(C(=O)Nc2ccccc2OCC)cn2c(CCC2)n1	EMOLS-id_321298394,MCULE-7862943308	271.314	IGBFOHFXRXQLMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037652
c1(C(=O)Nc2cc(C)ccc2OC)c2CCCc2[nH]n1	EMOLS-id_179744815,PC-id_110388916,MCULE-6953740388,GD-id_ZINC49679278	271.314	WRSKQVOXKAHLEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037653
c1(C(=O)Nc2cc(C)ccc2OC)cn2c(CCC2)n1	EMOLS-id_321294811,MCULE-6607026293	271.314	AJZAGCZYTIMDPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037654
c1(C(=O)Nc2cccc(OC)c2)c2CCCc2n(C)n1	PC-id_110389096,EMOLS-id_179745352,MCULE-3986123956	271.314	SGOKWWNALIYWTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037655
c1(C(=O)Nc2cccc(OCC)c2)c2CCCc2[nH]n1	MCULE-6518505649,EMOLS-id_334994575	271.314	FUOAVTXZFMGFGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037656
c1(C(=O)Nc2ccc(OCC)cc2)cn2c(CCC2)n1	MCULE-8347591536,EMOLS-id_321294555	271.314	VXWWCXCGOGKTTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037657
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316340560,MCULE-6225277922	271.314	BPRMMKXTYFHAIB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037658
c1(C(=O)NCc2ccccc2OC)c2CCCc2[nH]n1	EMOLS-id_179744565,PC-id_110388830,MCULE-8498581030	271.314	DYQZOUUAILEPPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037659
c1(C(=O)NCc2ccc(cc2)OC)c2CCCc2[nH]n1	PC-id_110388831,MCULE-6722732412,EMOLS-id_179744568	271.314	JUZXAAAYBHKVPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037660
c1(C(=O)NCc2ccccc2OC)cn2c(CCC2)n1	MCULE-8615087115,EMOLS-id_321297364	271.314	GWSPZPQUUIICEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037661
c1(C(=O)NCc2ccc(OC)cc2)cn2c(CCC2)n1	EMOLS-id_321297620,MCULE-4111420217	271.314	HXBUMVWQTIGWGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037662
c1(C(=O)NCCc2ccc(cc2)O)c2CCCc2n[nH]1	PC-id_75489081,MCULE-7588788548,EMOLS-id_50402190,ZINC22_96223871,STOCK7S-45820,EMOLS-id_49246166	271.314	AEMQRKLDKFCASV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037663
c1(C(=O)NCCOc2ccccc2)c2CCCc2[nH]n1	MCULE-3361551033,EMOLS-id_334975889	271.314	LEBVYQASHQGORG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037664
c1(C(=O)N[C@H](CO)c2ccccc2)c2CCCc2[nH]n1	EMOLS-id_323256504,PC-id_110001591,MCULE-7927174858	271.314	LDUVFLYGMHZJMY-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037665
c1(C(=O)O)c2CCCn2nc1CNc1ccc(cc1)C	SPECS-id_AT-687/PE33591,MCULE-7744477110,SPECS-id_AT-687/NB05055,PC-id_75527981,EMOLS-id_50152145,ZINC22_98212415	271.314	WUTYVZPXOBVQEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037666
c1(NC(=O)COc2ccccc2)n(C)nc2CCCc12	EMOLS-id_32181334,MCULE-9548721006,ZINC22_23135687,CoCoCo_5273020,PC-id_30859125	271.314	QEVVXDWSOGRBAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037667
Cc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)O	EMOLS-id_317952347	271.314	COFBMAABMXHFOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037668
Cc1ccc(c(c1)O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319219523	271.314	SNVYRVGKVHSLCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037669
Cc1ccc(c(c1)O)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319635426	271.314	ITHSFHWBRPPQJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037670
Cc1ccnc(n1)C(NC(=O)c1occ2c1CCC2)C	MCULE-7741054000,EMOLS-id_320128005	271.314	CLBQZJKAWNYWOK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037671
CCC1N(Cc2cn[nH]c12)C(=O)OCc1ccccc1	MCULE-4463459028,PC-id_134714771,EMOLS-id_316173152	271.314	QLMRVYJZDXMENS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037672
C[C@H]1C[C@H](NCc2ccc(C(=O)O)cc2)c2nccn12	ZINC22_263388782	271.314	DSLMZBYTARASAL-GWCFXTLKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037673
C[C@H]1C[C@@H](NCc2ccc(C(=O)O)cc2)c2nccn12	ZINC22_263388784	271.314	DSLMZBYTARASAL-GXFFZTMASA-N	00000010100000110001000010000000000000000000000000000000	25-01-037674
C[C@@H]1C[C@H](NCc2ccc(C(=O)O)cc2)c2nccn12	ZINC22_263388786	271.314	DSLMZBYTARASAL-MFKMUULPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037675
C[C@@H]1C[C@@H](NCc2ccc(C(=O)O)cc2)c2nccn12	ZINC22_263388788	271.314	DSLMZBYTARASAL-ZWNOBZJWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037676
C[C@@H]1N(Cc2c(C)n[nH]c12)C(=O)OCc1ccccc1	EMOLS-id_316171616,PC-id_134714767,MCULE-4261890055	271.314	VDLYALNDLSQDJG-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-037677
C[C@H]1N(Cc2c(C)n[nH]c12)C(=O)OCc1ccccc1	PC-id_134714769,MCULE-4381648577,EMOLS-id_316172640	271.314	VDLYALNDLSQDJG-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037678
C[C@H](c1nccnc1C)NC(=O)c1occ2c1CCC2	EMOLS-id_318807130	271.314	AMEDTBFAHLYHMB-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037679
C[C@](O)(Cc1ccccc1)C(=O)N1Cc2c[nH]nc2C1	ZINC22_647796351	271.314	VJIQKZCVFNTBQP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037680
C[C@@](O)(Cc1ccccc1)C(=O)N1Cc2c[nH]nc2C1	ZINC22_647796352	271.314	VJIQKZCVFNTBQP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037681
C[C@](O)(CC(=O)N1Cc2c[nH]nc2C1)c1ccccc1	ZINC22_820212616	271.314	AAKJKRLQQQRCAG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037682
C[C@@](O)(CC(=O)N1Cc2c[nH]nc2C1)c1ccccc1	ZINC22_820212620	271.314	AAKJKRLQQQRCAG-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037683
CCOC(=O)c1n[nH]c2c1CN(Cc1ccccc1)C2	EMOLS-id_44810981,ZINC22_91297302,PC-id_69250928,MCULE-4862168525,SCHEMBL4944611	271.314	MJFGNVPJJNQWKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037684
Cn1ccc(n1)[C@@H]1C[C@H]1NC(=O)c1occ2c1CCC2	EMOLS-id_319700478	271.314	VKGCEJQBCSQMCG-WCQYABFASA-N	00100010100000000001100010000000000000000000000000000000	25-01-037685
Cn1ncc(c1)[C@@H]1C[C@H]1NC(=O)c1occ2c1CCC2	EMOLS-id_320319555,MCULE-9305146487	271.314	YGBMUBYACWQTOP-QWHCGFSZSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037686
CN(C(=O)c1occ2c1CCC2)CCc1ncccn1	EMOLS-id_318852519	271.314	XLTUVOSLLBGPBK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037687
COc1ccccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318900963	271.314	PQMPHOOSVMNOQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037688
COc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319283181	271.314	FLZLVFCWBJLJSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037689
COc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318886929	271.314	HFJNNBRFENBIEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037690
COc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319168256	271.314	SHCJYZZNVJOYTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037691
o1nc2CCCc2c1NC(=O)Nc1c(cc(cc1)C)C	PC-id_58664494	271.314	MTIZYPGHFIJOMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037692
Oc1ccc(c(c1)C)CC(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319658292	271.314	CCGBRQTXKLTEAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037693
Oc1cccc(c1)CCC(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319842863	271.314	RTBPRHIZYOPSHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037694
Oc1cccc(c1)C(C(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_258201256,MCULE-1696555733	271.314	ZHAAMWQONODSTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037695
Oc1cccc(c1)C(C(=O)N1Cc2c(C1)cn[nH]2)(C)C	MCULE-6097758421,EMOLS-id_320196151	271.314	FPHUAMCCTKDCQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037696
Oc1cccc(c1)C(C(=O)N1CCn2c1ccn2)(C)C	EMOLS-id_319272020	271.314	OCRRINFUEVUPBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037697
Oc1cc(ccc1C(=O)N1CCn2c1ncc2)C(C)C	EMOLS-id_279043866	271.314	LVLWJWMIIDDUFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037698
Oc1ccc(c(c1)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_320236364,MCULE-3423486700	271.314	SLUWJMIZXNELMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037699
Oc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_317941377	271.314	XLOCSELOBIFSTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037700
Oc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319454666	271.314	IPKXAQYXMOJSLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037701
OCc1ccccc1CNC(=O)c1n[nH]c2c1CCC2	PC-id_110908867	271.314	ALBAQXGCLJAGLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037702
OCc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318962944	271.314	UKEFVAVJJUVHNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037703
OCc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319156962	271.314	DPUGPLMQWRAXNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037704
O=C(c1ccc(c(c1)C)O)NCc1cnc2n1CCC2	MCULE-7035514655,EMOLS-id_317943966	271.314	UNFYOAYQSUQKGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037705
O=C(c1ccc(c(c1)C)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319030045	271.314	BZNYXRRBCLQCMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037706
OCc1ccc(c(c1)NC(=O)c1n[nH]c2c1CCC2)C	PC-id_112344687	271.314	XGLDYRFXINEQDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037707
O=C(c1cccc(c1O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319551344	271.314	KVOQOKQPDHBEJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037708
O=C(c1cn2c(n1)CCC2)N1CC(C1)Cc1cocc1	MCULE-2661288860,EMOLS-id_320049341	271.314	KNYOYNNKCNVZBU-UHFFFAOYSA-N	00001010101000000001000010000000000000000000000000000000	25-01-037709
O=C(c1cnn2c1CCC2)N1CC(C1)Cc1cocc1	EMOLS-id_320222389,MCULE-4890024330	271.314	KNENICZGNQVYDH-UHFFFAOYSA-N	00001010101000000001000010000000000000000000000000000000	25-01-037710
O(C(C1Nn2c(C1)ccc2)(C)C(=O)N)c1ccccc1	PC-id_77235761	271.314	LULBDNNFMMWAAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037711
OCCc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	PC-id_110922848	271.314	QSTFJRWAJOYMOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037712
Clc1sc2c(c1)C(CC2)NC1CCSCC1	PC-id_115889277	273.845	MMCJEEBJVUGKCP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-039484
O=C(C(c1cccc(c1)O)C)NC1CCn2c1ncc2	EMOLS-id_279121940	271.314	XRNYCWIXCDDEKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037713
O=C(Cc1ccc(cc1)O)NCc1cnc2n1CCC2	EMOLS-id_320156038,MCULE-3003859165	271.314	GHMOKSONQSPAMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037714
O=C(C(c1ccccc1)O)NCc1n[nH]c2c1CCC2	EMOLS-id_318901932	271.314	PNOADGHZZNLNAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037715
O=C(C(Cc1ccccc1)(O)C)N1Cc2c(C1)cn[nH]2	EMOLS-id_316043217,MCULE-9530238945	271.314	VJIQKZCVFNTBQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037716
O=C([C@@H]1C[C@H]1c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319308886	271.314	QIARYTONMGFOSO-VXGBXAGGSA-N	00100010101000000001100010000000000000000000000000000000	25-01-037717
O=C([C@@H](c1ccccc1)O)NCc1cnc2n1CCC2	EMOLS-id_319794073	271.314	SVPACSDLZXZPDF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037718
O(CC(=O)N(C1Nn2c(C1)ccc2)C)c1ccccc1	PC-id_77235762	271.314	KVDUKDAYFLTNIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037719
O(CC(=O)Nc1n[nH]c2CCCc12)Cc1ccccc1	PC-id_9814074	271.314	RCAZFSFGLZRVFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037720
O=C(N1Cc2c(C1)cn[nH]2)CC(c1ccccc1)(O)C	EMOLS-id_316042961,MCULE-8241842250	271.314	AAKJKRLQQQRCAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037721
O=C(N1Cc2c(C1C)n[nH]c2C)OCc1ccccc1	PC-id_146158210	271.314	VDLYALNDLSQDJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037722
O=C(N1CCC[C@@H]1c1ccon1)c1[nH]c2c(c1)CCC2	EMOLS-id_318966243	271.314	UVNYCOJUPNJOTN-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-037723
O=C(N1CCn2c1ncc2)CC(c1ccccc1)(O)C	EMOLS-id_316582351	271.314	CXBTUZCRXCOSNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037724
O=C(N(c1ccc(c(c1)C)O)C)c1cn2c(n1)CCC2	EMOLS-id_316557007	271.314	FONRHGDVAVLVDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037725
O=C(NC1CCn2c1ncc2)Cc1ccc(cc1C)O	EMOLS-id_319666025	271.314	XLNLJOOBQHVDHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037726
O=C(NC1CCn2c1ncc2)CCc1cccc(c1)O	EMOLS-id_319169903	271.314	CEHLDEFQOPRUJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037727
O=C(Nc1nn2c(c1C)CCC2)OCc1ccccc1	PC-id_141731664	271.314	VSXDEKUMXNPZDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037728
O=C(Nc1n(nc2c1CCC2)C)c1ccc(OC)cc1	PC-id_45536271	271.314	KCKZYJGJXWTNLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037729
O=C(Nc1n(nc2c1CCC2)C)c1cc(OC)ccc1	PC-id_45536270	271.314	DFLUEOUZEFCULI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037730
O=C(Nc1n(nc2c1CCC2)C)c1c(OC)cccc1	PC-id_45536303	271.314	NAMIDZZDEDOZLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037731
O=C(Nc1n[nH]c2CCCc12)Cc1cc(OC)ccc1	PC-id_9856723	271.314	UMNATOGGQFTTKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037732
O=C(Nc1n[nH]c2CCCc12)Cc1c(OC)cccc1	PC-id_9856722	271.314	VEXZVGVGXKMSHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037733
O=C(NCc1cnc2n1CCC2)COc1ccccc1	EMOLS-id_319036375	271.314	NGGORLDVSCHCLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037734
O=C(N[C@H](CO)c1ccccc1)c1cn2c(n1)CCC2	EMOLS-id_316914093,ZINC22_583996065,MCULE-7259228563	271.314	HDLOYUBJYWAKRD-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037735
OC(=O)c1ccc(cc1)CNC1CC(n2c1ncc2)C	PC-id_122035096,EMOLS-id_72773727,MCULE-6467361482	271.314	DSLMZBYTARASAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037736
OC(=O)c1cccc(c1)CNC1CC(n2c1ncc2)C	PC-id_122035097,MCULE-5884267946,EMOLS-id_72773729	271.314	XEWNHONMTMILJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037737
O=C(Oc1ccccc1)Nc1cc2n(n1)CCC2(C)C	SCHEMBL2796538,PC-id_59394307	271.314	PBBOPOWJUCVYEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037738
OC(=O)C(c1ccccc1)NCc1nn2c(c1)CCC2	EMOLS-id_278685681	271.314	PVRJXEZYZJDEBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037739
O(C(=O)C(c1n2CCCc2nn1)c1ccccc1)CC	PC-id_79472547	271.314	PULMDDJTHLOUEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037740
OC(=O)Cc1nn(c2c1CN(C2)Cc1ccccc1)C	PC-id_83870569	271.314	MLXJWIXMHJTVDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037741
OC(=O)Cc1n(nc2c1CN(C2)Cc1ccccc1)C	PC-id_83870637	271.314	BUDZCLPMYSXIDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037742
OC(=O)C(Cc1n2CCCc2nn1)(c1ccccc1)C	PC-id_62873845	271.314	VSHYTNOJXSKPAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037743
O(C(=O)n1nc2C(CCc2c1N)C)Cc1ccccc1	PC-id_11277265	271.314	RNZKFXICCVSFFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037744
O(C(=O)n1nc(N)c2c1C(CC2)C)Cc1ccccc1	PC-id_11173293	271.314	XVCNZPNLYXVUIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037745
c1(C(=O)NCc2nc(C)cc(C)n2)c2CCCc2n[nH]1	MCULE-9577509660,EMOLS-id_82711557,ZINC22_426440230,PC-id_119062929	271.318	FLNGPHNCVYSRQR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037746
Cc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_177327703,MCULE-5790015657	271.318	VAGCNZKFUVVPEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037747
Cc1cccc(C(=O)NC(C)c2nnc3n2CCC3)n1	CHEMBL4540208,MCULE-6530865085,PC-id_45819146,EMOLS-id_31936214	271.318	HMTOGRUOPTYCHF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037748
Cc1cccc(C(=O)N[C@H](C)c2nnc3n2CCC3)n1	PC-id_94024474,ZINC22_44934679	271.318	HMTOGRUOPTYCHF-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037749
Cc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)n1	ZINC22_44934676,PC-id_94024473	271.318	HMTOGRUOPTYCHF-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-037750
Cc1cccc(n1)C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_35706634,PC-id_53500344,MCULE-9283320768	271.318	YIYDQMDLUQHIQN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037751
Cc1cccc(NC(=O)NCc2nnc3n2CCC3)c1	EMOLS-id_31867694,PC-id_17463126,ZINC22_10464430,MCULE-6863271874	271.318	KRUDKJTUMLHVIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037752
Cc1ccc(N(C)C(=O)c2c3c(nn2C)CCC3)nn1	PC-id_136569924,MCULE-3774873291,ZINC22_903639106,EMOLS-id_316951544	271.318	WTMLBQSWEBSXJC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037753
Cc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	PC-id_17469528,ZINC22_10464424,EMOLS-id_31867692,MCULE-7133942018	271.318	XSZXQFPQDQYTPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037754
CC1=CC(=Nc2c(n3CCCn3c2=O)C)C(=N)CC1=N	PC-id_91159932	271.318	MAEYHJQHGPFXEM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-037755
Cc1ccnc(c1)C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_319976095,MCULE-4018532637	271.318	ILOUKWQVGZHUTD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037756
Cc1ccnc(n1)C(NC(=O)c1cnc2n1CCC2)C	EMOLS-id_319297079	271.318	FYLRIXVHYARCJL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037757
Cc1ccnc(n1)C(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_316607975	271.318	JVWHLGZAYAISDS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037758
Cc1cc(=NC(=O)N[C@@H]2C[C@H](C)n3ccnc23)cc[nH]1	ZINC22_333553813	271.318	VADCMLNOKNONIB-CMPLNLGQSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037759
Cc1cc(=NC(=O)N[C@H]2C[C@H](C)n3ccnc23)cc[nH]1	ZINC22_333553816	271.318	VADCMLNOKNONIB-JQWIXIFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037760
Cc1cc(=NC(=O)N[C@H]2C[C@@H](C)n3ccnc23)cc[nH]1	ZINC22_333553817	271.318	VADCMLNOKNONIB-PWSUYJOCSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037761
Cc1cc(=NC(=O)N[C@@H]2C[C@@H](C)n3ccnc23)cc[nH]1	ZINC22_333553818	271.318	VADCMLNOKNONIB-ZYHUDNBSSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037762
Cc1nccc(CCC(=O)N=c2cc3n([nH]2)CCC3)n1	EMOLS-id_324065390,MCULE-6576781328,ZINC22_1875274567,PC-id_146105901	271.318	JMOJLYINUDRWGN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037763
Cc1ncc(c(n1)C)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_110847526	271.318	LAMHZWWSBXCADU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037764
Cc1ncc(c(n1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318798031	271.318	WWMBFIQBCRZONX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037765
Cc1ncc(c(n1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319184132	271.318	JLQGNYHPIIJBJB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037766
Cc1nc(C)nc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319973648,MCULE-8439743261	271.318	MZYPVRUNJFFMPE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037767
Cc1nc(C)nc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318983344	271.318	WKAJIWNQLVLTNE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037768
Cc1[nH]nc(n1)C1CN(C1)C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319734681	271.318	HLSKLKYZAVINJS-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-037769
Cc1nnc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319431570	271.318	FTYRWKNAKYAYFM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037770
Cc1nnc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319705016	271.318	KEVSKBZROFOPRR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037771
CCc1ccncc1NC(=O)NC1CCn2c1ncc2	EMOLS-id_318962815	271.318	TUIVEHCFDXNLOL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037772
CC(c1ncccn1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319234888	271.318	CKLXTQMMRZYOES-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037773
CCc1ncncc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318853071	271.318	GXAGDRVBAQGXRN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037774
CC(c1nnc2n1CCC2)NC(=O)c1ccccc1N	PC-id_61215266,MCULE-1653151177,EMOLS-id_302675075	271.318	FRCTWQIFSCTOKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037775
CC(Cc1ccccn1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319269387	271.318	IUSPERNSXGPSMH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037776
C#CCCC1(CCC(=O)N2Cc3c(C2)cnn3C)N=N1	EMOLS-id_316282819,MCULE-6848306378	271.318	KGSYNZOTVOMKLW-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-037777
C[C@@H](c1nccnc1C)NC(=O)c1cnc2n1CCC2	MCULE-5921365891,EMOLS-id_319968975	271.318	FNPIDPIUWUYBGW-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-037778
C[C@@H](c1nccnc1C)NC(=O)c1cnn2c1CCC2	EMOLS-id_318955933	271.318	CKKRFVHCYAYLJD-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-037779
C[C@@H](c1nccnc1C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318783658	271.318	GSGMOCIXRMJFCP-VIFPVBQESA-N	00000010100000100001000010000000000000000000000000000000	25-01-037780
CCNc1cccnc1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319297387	271.318	FALUDDQGOZLNGR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037781
CCNc1cccnc1C(=O)NC1CCn2c1ncc2	EMOLS-id_319582702	271.318	XCRAWQVYYGEPNM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037782
CCN(C(=O)C1NCc2c1c[nH]n2)Cc1ccncc1	EMOLS-id_320313454,MCULE-8414276993	271.318	LVLVPRPZVBMZFC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037783
CC(=O)Nc1ccc(cc1)NC1CC(n2c1ncn2)C	MCULE-6992627757,EMOLS-id_258183600	271.318	YHYYBLQRPPYCIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037784
Cn1ccc(n1)[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCC2	EMOLS-id_320257042,MCULE-3837968186	271.318	ZZFWZSCGHUVNMU-GXSJLCMTSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037785
Cn1ccc(n1)[C@@H]1C[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_319857989	271.318	IBDDAYIYKKFMKI-JOYOIKCWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037786
Cn1ccc(n1)[C@@H]1C[C@H]1NC(=O)c1nn2c(c1)CCC2	MCULE-8300575266,EMOLS-id_320270523	271.318	DXKNKNMRBMSNRR-CMPLNLGQSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037787
Cn1ncc(c1)[C@@H]1C[C@H]1NC(=O)c1cn2c(n1)CCC2	MCULE-9257509000,EMOLS-id_320155625	271.318	IJNYKUZJUPSOQP-WDEREUQCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037788
Cn1ncc(c1)[C@@H]1C[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318812543	271.318	WZPUYLKOSUJQGM-NWDGAFQWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037789
CNc1ccc(cn1)C(=O)NCc1cnc2n1CCC2	MCULE-1066813533,EMOLS-id_317937333	271.318	ILNRHUPELIBCDV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037790
CNc1ccc(nc1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_320162163,MCULE-9756861492	271.318	MWYJNLSUOYGMJL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037791
CNc1ccc(nc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319513723	271.318	DMILKXYACZOHIY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037792
C/N=C
/C=C/C(=Nc2c(=O)n3n(c2C)CCC3)/C(=C1)N	SCHEMBL13963801	271.318	YJROFYPSUAGJAS-OGLSOCIUSA-N	00000010100011000001000010000000000000000000000000000000	25-01-037793
CNc1ncccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_317917862	271.318	OUNPMNJSFBFZMB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037794
CNCc1cccc(c1)NC(=O)C1NCc2c1c[nH]n2	MCULE-2141496533,EMOLS-id_320047293	271.318	PHWZUVKDMVVDNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037795
CN(Cc1nnc2n1CCC2)C(=O)Nc1ccccc1	EMOLS-id_31867690,PC-id_16231632,MCULE-6116861397,ZINC22_9058085	271.318	OZXIAHQIYDQKCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037796
CN(C(=O)c1n(C)nc2c1CCC2)Cc1ncccn1	EMOLS-id_319519664	271.318	XCRFVZUWZWLLKN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037797
CNC(=O)Nc1cc2n(n1)CCN2Cc1ccccc1	SCHEMBL12307399,PC-id_58440746	271.318	HQSINKNIYBWXSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037798
n1c(CNC(=O)CNc2cccnc2)c2c(CCC2)[nH]1	ZINC22_1857706206,MCULE-1033668294,PC-id_145942829,EMOLS-id_323981967	271.318	DQCVZYUKWYJLII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037799
Nc1cccc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_43698121,MCULE-7888835893,EMOLS-id_302646683	271.318	DDAJINMUAMGSRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037800
CC(=O)N1CC(=O)c2c1c(Br)c(s2)C	PC-id_97744983	274.134	XNZIAWFWSYFUCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039508
NC1=CC(=N)C(=C/C/1=Nc1c(=O)n2n(c1C)CCC2)C	PC-id_57578038,SCHEMBL3852650	271.318	NHJPCJNKATWATJ-VVFYTKHESA-N	00000010100011000001000010000000000000000000000000000000	25-01-037801
NCc1ccccc1CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318936078	271.318	WAAWTVVTTNNADL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037802
NCc1cccc(c1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319470781	271.318	JBWWAZBYWXEHTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037803
NCc1ccc(cc1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319526229	271.318	ZPXLUVNGXLYJKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037804
NCc1cc(cc(c1)C)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320022093,MCULE-4778730541	271.318	KCFOUEIRRNDCNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037805
O=c1n2n(CCC2)c(c1/N=C
/C(=C/C(=N/C)/C=C1)N)C	PC-id_71036321	271.318	YJROFYPSUAGJAS-JTCWOHKRSA-N	00000010100011000001000010000000000000000000000000000000	25-01-037806
O=C(C1(CC1)n1cccn1)NCc1cnc2n1CCC2	MCULE-6509606997,EMOLS-id_320100849	271.318	OKXJHEMWMXJASE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037807
O=C(c1cc2n(n1)CCC2)NCc1cnc2n1CCC2	MCULE-5854583855,EMOLS-id_320056256	271.318	MCSATKQQFHEQRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037808
O=C(c1cc2n(n1)CCC2)NCc1n[nH]c2c1CCC2	EMOLS-id_319736577	271.318	VRCFFAAGNSCDDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037809
O=C(c1cccc(c1N)C)NC1CC(n2c1ncn2)C	EMOLS-id_319838221	271.318	NSQVYPDNMRWMNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037810
O=C(c1ccnn1CC1CCC1)N1Cc2c(C1)cn[nH]2	MCULE-4223196298,EMOLS-id_316439131	271.318	CXEICUDOVMWLQR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037811
O=C(c1cn2c(n1)CCC2)N[C@H](c1nccnc1C)C	EMOLS-id_319215970	271.318	SQOFIZXGORVISL-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-037812
O=C(c1cn2c(n1)CCC2)N[C@@H](c1nccnc1C)C	MCULE-1125664854,EMOLS-id_320262783	271.318	SQOFIZXGORVISL-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037813
O=C(c1cnc2n1CCC2)NCc1cnc2n1CCC2	EMOLS-id_319158133	271.318	FAPSNGZRJVAIHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037814
O=C(c1c[nH]c(n1)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_318877470	271.318	CKRIICOKJHAGIU-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037815
O=C(c1cnn2c1CCC2)NCc1n[nH]c2c1CCC2	EMOLS-id_319154310	271.318	PAUMSBCUSXQGPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037816
O=C(c1cnn(c1)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319552742	271.318	GJUBVUWNXMKCIH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037817
O=C(C1NCc2c1c[nH]n2)Nc1ccc(nc1)C(C)C	EMOLS-id_318909045	271.318	POTLLKYVOJQKGX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037818
O=C(C1NCc2c1c[nH]n2)Nc1cncc(c1)C(C)C	EMOLS-id_319196906	271.318	CZELXJNPCOXXSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037819
O=C(C1NCc2c1c[nH]n2)NCc1cc(C)nc(c1)C	EMOLS-id_319933117,MCULE-6682551185	271.318	ZGRSELOPQGRQKY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037820
O=C(C1NCc2c1c[nH]n2)NCc1ncc(cc1C)C	EMOLS-id_318926286	271.318	AEEHKXVQSOFIHI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037821
O=C(C1NCc2c1c[nH]n2)N(CCc1ccccn1)C	MCULE-3975903278,EMOLS-id_320228678	271.318	ZDJLDOIBKMQXNK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037822
O=C(C1NCc2c1c[nH]n2)NCCc1ccc(nc1)C	EMOLS-id_319091511	271.318	QAFXMQPAISRSSY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037823
O=C(C1NCc2c1c[nH]n2)NCCc1cnccc1C	EMOLS-id_319119398	271.318	GSRRKRLLWQQZGA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037824
O=C(c1ncccc1N(C)C)NC1CCn2c1ncc2	EMOLS-id_316593984	271.318	YZQFRXXVSKMOIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037825
O=C(c1n(C)nc2c1CCC2)N1CC(C1)c1n[nH]cc1	EMOLS-id_319876159	271.318	UALLTBMGVJKCBO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-037826
O=C(c1n(C)nc2c1CCC2)NC1(CC1)c1ncc[nH]1	EMOLS-id_319291362	271.318	SZUWNWIKIRAISW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-037827
O=C(c1n(C)nc2c1CCC2)NCCc1ncccn1	EMOLS-id_319000961	271.318	ITAKLEWKFOZKEB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037828
O=C(c1nn2c(c1)CCC2)N[C@@H](c1nccnc1C)C	EMOLS-id_319178016	271.318	SNPRRXXCHQROPZ-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037829
O=C(c1nn2c(c1)CCC2)N[C@H](c1nccnc1C)C	EMOLS-id_319462904	271.318	SNPRRXXCHQROPZ-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-037830
O=C(c1n[nH]c2c1CCC2)Nc1n(C)nc2c1CCC2	EMOLS-id_110789663	271.318	UBVXFJFLSHVADC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037831
O=C(c1n[nH]c2c1CCC2)NCc1cnc2n1CCC2	MCULE-1032059408,EMOLS-id_319944412	271.318	OZEXJLKIDIDYIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037832
O=C(c1n[nH]c2c1CN(C2)Cc1cccnc1)N(C)C	PC-id_97461964	271.318	BDGBOOBHPZAPTO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037833
O=C(N1Cc2c(C1)cn[nH]2)c1cnn(c1)C1CCCC1	MCULE-1325032035,EMOLS-id_320202340	271.318	VTXRHAPWBZTGCO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-037834
O=C(N1CCn2c1ccn2)c1cnn(c1)C1CCCC1	EMOLS-id_319796887	271.318	MPLVHDMYWANNDB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-037835
O=C(N1CCn2c1ncc2)c1ccnn1CC1CCC1	EMOLS-id_319952092,MCULE-5707663630	271.318	FKBYOPIBSDVFIP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037836
O=C(N1CCn2c1ncc2)c1cnn(c1)C1CCCC1	EMOLS-id_320126733,MCULE-1046248354	271.318	MMZVPMPGVIPVSW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-037837
O=C(NC1CC(n2c1ncc2)C)Nc1cccc(n1)C	EMOLS-id_101388979	271.318	RAPTTZXYMSMKKY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037838
O=C(NC1CC(n2c1ncc2)C)Nc1ccc(cn1)C	EMOLS-id_101476334	271.318	CQMXEVRXECUFPV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037839
O=C(NC1CC(n2c1ncc2)C)Nc1ccnc(c1)C	MCULE-2406471518,EMOLS-id_101478395	271.318	VADCMLNOKNONIB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037840
O=C(NC1CC(n2c1ncc2)C)Nc1nccc(c1)C	EMOLS-id_101476304	271.318	UQKVLQYUHHMRLZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037841
O=C(Nc1ccncc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101479445	271.318	WFOXROFJDHKYCM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037842
O=C(Nc1ncccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101388967	271.318	BCHGYSXHCXVIAB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037843
O=C(NC(c1n2CCCc2nn1)C)c1ccc(N)cc1	PC-id_43698122	271.318	ZKUDJTZMTJPFGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037844
O=C(N(Cc1n2CCCc2nn1)C)c1ccc(N)cc1	PC-id_60963704	271.318	SAGPKFKFOLWBGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037845
O=C(N(Cc1n2CCCc2nn1)C)c1cc(N)ccc1	PC-id_60963703	271.318	CDSFHEBWOUYZNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037846
O=C(N(Cc1n2CCCc2nn1)C)c1c(N)cccc1	PC-id_60959095	271.318	PPMHQVPGKWEQJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037847
O=C(NCc1n2CCCc2nn1)Nc1c(cccc1)C	PC-id_60447085	271.318	KMVDNAXFDPSORX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037848
O=C(NCc1n2CCCc2nn1)NCc1ccccc1	PC-id_24244250	271.318	LJGAZIAEFNKGEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037849
O=C(NCc1n[nH]c2c1CCC2)CCc1ccncn1	EMOLS-id_320293658,MCULE-5493115023	271.318	GJUGUVNESWQFIE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037850
O=C(NCc1n[nH]c2c1CCC2)CCc1cncnc1	EMOLS-id_319238245	271.318	XERRXVGGYBBFOX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037851
O=C(NCCc1n2CCCc2nn1)c1ccc(nc1)C	PC-id_60445475	271.318	FTPBRECPCKWYBV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037852
O=C(NCCNc1ccccn1)c1n[nH]c2c1CCC2	LEG-20294985,ZINC22_19402166,PC-id_51590839	271.318	TXEUYCHEQQXUTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037853
O=S(=O)(c1cnc2n1CCC2)Nc1nncs1	EMOLS-id_97704086	271.319	VFMGSTZNPNOVLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037854
COCCOCCc1nc2c(s1)CCC2C(=O)O	PC-id_113753786	271.333	JUQOTXWOKJWMFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037855
Fc1ccccc1C1(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318003217,MCULE-8042899453	271.333	LDUNFHFPJNMMHS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037856
Fc1cccc(c1)C1(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318360120,MCULE-1762962678	271.333	MGHRSDZABZPXDK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037857
Fc1ccc(cc1)C1(CC1)NC1CC(n2c1ncc2)C	MCULE-7895419848,EMOLS-id_318118289	271.333	FVUHCEJVUHENML-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037858
Fc1cccc(c1)C1(CC1)NCc1cnc2n1CCC2	EMOLS-id_318133420,MCULE-1972638930	271.333	JIDHAFAYACVCBX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037859
Fc1ccc(cc1)C1(CC1)NCc1cnc2n1CCC2	EMOLS-id_318304273,MCULE-1196742919	271.333	XJRGABBCAMTGRD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037860
Fc1ccccc1C1(CC1)NCc1cnc2n1CCC2	EMOLS-id_318306321,MCULE-2229004452	271.333	POOOMRSKLOVEEK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037861
Fc1ccc(cc1)C1(CCC1)NC1CCn2c1ncc2	EMOLS-id_318013333,MCULE-8534379447	271.333	FNUCLBUWRZIXOZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-037862
Fc1cccc(c1)C1(CNC2CCn3c2ncc3)CC1	MCULE-7336196272,EMOLS-id_318363191	271.333	WQBULAPRFAJBCX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037863
Fc1ccc(cc1)C1(CNC2CCn3c2ncc3)CC1	MCULE-7858117959,EMOLS-id_318363187	271.333	YQOPNBDSCLDRHO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037864
Fc1ccc(cc1)CC1(CC1)NC1CCn2c1ncc2	EMOLS-id_318228306,MCULE-4808960261	271.333	RWLNZVHTVQFVHV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-037865
Fc1ccccc1[C@@H]1C[C@H]1NC1CC(n2c1ncc2)C	MCULE-7560740303,EMOLS-id_320208915	271.333	BZUQGAQJDYEQBQ-NBBFTKGGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037866
Fc1cccc(c1)[C@@H]1C[C@H](C1)NC1CCn2c1ncc2	EMOLS-id_319987277,MCULE-3161402685	271.333	MBDUCISYUNBNKX-FJVAONGCSA-N	00001010100000110001100010000000000000000000000000000000	25-01-037867
Fc1ccccc1[C@@H]1C[C@H](C1)NC1CCn2c1ncc2	MCULE-3899006027,EMOLS-id_319872236	271.333	IIRLZHRATIEHAZ-QWJAPKFZSA-N	00001010100000110001100010000000000000000000000000000000	25-01-037868
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NC1CCn2c1ncc2	MCULE-6480707926,EMOLS-id_320033346	271.333	CUGXYTPMSDOFQC-FJVAONGCSA-N	00001010100000110001100010000000000000000000000000000000	25-01-037869
Fc1ccc(cc1CNC1CCn2c1ncc2)C1CC1	MCULE-2255306404,EMOLS-id_318371384	271.333	YGJNOWZDVMRFHB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-037870
OCC(NC(=O)c1sc2c(c1)CCC2)(CO)CO	PC-id_107846759	271.333	NSYUFJNKFKJRIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037871
OC(=O)CCn1c(=O)sc2c1C(C)(C)OC2(C)C	PC-id_79927629,EMOLS-id_315477536	271.333	NTRBUZDENCDKGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037872
S1(=O)(=O)Cc2c([nH]c(C(C)(C)C)c2CC(=O)O)C1	PC-id_84809372	271.333	FHFBCNUOOXOUNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037873
O=Cc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_106912106	271.334	SSYFFLMZQWONGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037874
O=Cc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_113892273	271.334	VMVPZEINCNEMQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037875
c1(NC(=O)COCCOC)n(C)nc2CSCc12	EMOLS-id_334567858,MCULE-6165139383	271.336	MAGGHPWALOWOLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037876
CC1CCC(O1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319143500	271.336	XSASTYSYCPMBMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037877
CC1CCC(O1)CS(=O)(=O)N1CCn2c1ncc2	MCULE-2386373322,EMOLS-id_320061503	271.336	JNEVXOVWICTRRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037878
CC1(COC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100227322	271.336	BUHLWNHGXXECED-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037879
CC1(COCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100243228	271.336	DHJWUIUKQBPQQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037880
C[C@]1(O)C[C@H](C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101973985	271.336	JGMSCFYYZKIHNA-DKTWLAJQSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037881
CC1(O)CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100218922	271.336	KSTYVUMHNANZBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037882
CC1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98561074	271.336	SUHREJDPTUWAKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037883
CCCCC(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_50358833,ZINC22_170609395,MCULE-2657674475,PC-id_99793825	271.336	OSWPTSDLHJLIRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037884
CC(C)(C)OC(=O)Nn1c(c2CCCn2c1=S)O	PC-id_91147614	271.336	SLRWWGMGXVFPCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037885
CC(CC(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_112057197	271.336	RUFFPMPGDSUCDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037886
CCC(C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_112057254	271.336	SMNTXRZLSYMHHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037887
CC(CS(=O)(=O)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_112077713	271.336	PCQFHZDFNSBAQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037888
CCC(S(=O)(=O)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_112079471	271.336	SVIPVPWBWRIRQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037889
CC(CS(=O)(=O)NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_112077710	271.336	MQOISAVTWHOSLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037890
CCC(S(=O)(=O)NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_112079447	271.336	FVHSIBNFIWGCKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037891
C[C@@H]1CCO[C@@H]1CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319055371	271.336	YVVPIGVASKWBRL-LDYMZIIASA-N	00000010100000000001000010000000000000000000000000000000	25-01-037892
CCOC1CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98041809	271.336	NJAZEAXXMYGAKM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037893
Cn1nc2c(c1NC(=O)CCS(=O)(=O)C)CCC2	ZINC22_331445452,MCULE-1923393656,EMOLS-id_316833690	271.336	STPCZHILKJOJKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037894
COC1(C)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226536	271.336	QHMQFVDAXKGZLG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037895
COC[C@@]1(C[C@@H]1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-7693453927,EMOLS-id_320221326	271.336	JECVNXFMPHJXRZ-GZMMTYOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037896
CO[C@H]1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100228492	271.336	NAEHKFZAXIIMEQ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-037897
OC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224760	271.336	RHULGONICWBCBK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037898
OC1CC(N(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100088052	271.336	QVRQJXMEARASCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037899
OC(C1CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100182720	271.336	UGCWYLJSHUXDQN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037900
OCC1(CCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226452	271.336	YFCDKVQZQARVKB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-037901
OCC1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_303310691	271.336	HKGSIXAIFHZDJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037902
O=C(C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112067221	271.336	VALXHCJOJMVBDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037903
OC[C@H]1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176395	271.336	HKGSIXAIFHZDJX-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037904
OC[C@@H]1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100222141	271.336	HKGSIXAIFHZDJX-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-037905
O=C(C(S(=O)(=O)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110921151	271.336	WLJIWIWMPNICGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037906
O[C@H]1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100856571	271.336	RHULGONICWBCBK-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-037907
O=C(N1Cc2c(C1)nc([nH]2)S(=O)C)OC(C)(C)C	PC-id_118614462,SCHEMBL17380736	271.336	RXBOTSCNLJQTII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037908
ON1Cc2c(C1)nc(n2C(C)C)S(=O)(=O)C1CC1	PC-id_118613873,SCHEMBL17380129	271.336	XMKNPUMJQUPKMK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037909
O=S(=O)(c1cnc2n1CCC2)NCC1CCCO1	EMOLS-id_100196931	271.336	CGZWNPKAYHZEOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037910
O=S(=O)(c1cnc2n1CCC2)NC[C@H]1CCCO1	EMOLS-id_101309221	271.336	CGZWNPKAYHZEOY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037911
O=S(=O)(c1cnc2n1CCC2)N[C@@H]1CCCOC1	EMOLS-id_99302978	271.336	XIQXSPISIDVCGN-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037912
O=S(=O)(N1Cc2c(C1)cn[nH]2)CCOCC1CC1	EMOLS-id_316668965	271.336	JZOATKNIUMIWQX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037913
O=S(=O)(N1CCn2c1ncc2)CC1CCCCO1	MCULE-2642406703,EMOLS-id_316403920	271.336	IJEQDDYYYGMMFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-037914
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)C)C1	PC-id_4202207	271.336	TTYVFLCIKJBJQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037915
c1(ccc(C)[nH]1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328260691,MCULE-3155539124	271.338	NXENHXWFDCUTED-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-037916
CC1=Nc2n(S1C(C#Cc1ccccc1)O)cnc2	SCHEMBL20744009	271.338	HUSLGTOLIHHDPS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-037917
CCc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1	EMOLS-id_324840939	271.338	RBBYHOMRIGWKSM-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037918
CCc1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324845285	271.338	AQQLQRVIPBLWBP-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037919
CCc1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324842724	271.338	SSHSMYHPKMPXNH-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037920
CCc1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324844261	271.338	CJWFSSDKLYKWKR-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037921
CC(C)c1ccc(/C=c/2sc3ncnn3c2=O)cc1	EMOLS-id_27019650,ChEMBL-DNDi_CHEMBL5629-0239	271.338	LISVXXUGAZFAPH-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037922
CC(C)c1ccc(/C=c/sc3ncnn3c2=O)cc1	EMOLS-id_45964440,ZINC22_208224	271.338	LISVXXUGAZFAPH-KPKJPENVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037923
CCCc1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324844269	271.338	AQDZKGHJYAZCLB-LUAWRHEFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037924
CC(C)c1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324846311	271.338	BYUUTAVDYBLWRE-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037925
Cn1cccc1C(=O)Nc1sc2CCCc2c1C#N	MCULE-6977719574,EMOLS-id_328100876	271.338	FAVKPTPCNIXYEQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-037926
n12c(=O)c(=Cc3ccccc3)sc1nc(C(C)C)n2	MCULE-8828997364	271.338	BYUUTAVDYBLWRE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037927
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCC	MCULE-3682827875	271.338	AQDZKGHJYAZCLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037928
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CC	MCULE-4716619793	271.338	AQQLQRVIPBLWBP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037929
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)C	MCULE-6068477943	271.338	RBBYHOMRIGWKSM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037930
n12ncnc1sc(=Cc1ccc(cc1)C(C)C)c2=O	MCULE-1470115529,EMOLS-id_9821432	271.338	LISVXXUGAZFAPH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037931
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CC	MCULE-7649458148	271.338	CJWFSSDKLYKWKR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037932
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)CC	MCULE-9145760066	271.338	SSHSMYHPKMPXNH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-037933
N#CCCn1nc(c2c1CCC2=O)Cc1cccs1	SCHEMBL6162649,PC-id_22732761	271.338	KGXGDHWEGBCECE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-037934
CC(OC(=O)C1=C(Cc2n1ccc2)C(=O)OC(C)C)C	PC-id_101036194	277.316	KTYVKCLZFKYJIY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-041844
NC(=O)c1cc(n2c1CSC2)/C=C/c1cccnc1	SCHEMBL10857099,PC-id_13375501	271.338	VGFBHLUJIUASRU-ONEGZZNKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037935
s1c2CCCc2cc1C(=O)NN=Cc1cccnc1	PC-id_85015451	271.338	QXTAWEOURWSORZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-037936
s1c2CCCc2cc1C(=O)NN=Cc1ccncc1	PC-id_85015522	271.338	JODUJWVQOVSGAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-037937
s1c2CCCc2cc1C(=O)NN=Cc1ncccc1	PC-id_85015449	271.338	DWCYVSOMQBZUPR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-037938
s1c2CCCc2nc1Nc1c(ccc(OC)c1)C#N	PC-id_81299504	271.338	WPPCVZFPPQYEPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037939
s1c2CNCc2nc1NC(=O)/C=C/c1ccccc1	PC-id_82194039	271.338	XXFDIJUGOJJFKW-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037940
s1c2CN(Cc2nc1N)C(=O)/C=C/c1ccccc1	PC-id_82194152	271.338	SECXOSQUUHEWDY-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037941
S1C(C(=O)n2c1nnc2C)C=Cc1ccc(cc1)C	PC-id_18891901	271.338	QDXCRVWSENCEKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037942
S1Cn2c(C1)c(cc2C=Cc1cccnc1)C(=O)N	PC-id_54390371	271.338	VGFBHLUJIUASRU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-037943
s1c2CCCc2nc1Nc1nnc(c(c1C#N)C)C	PC-id_61511753	271.341	FADRSQFTCRWJMD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-037944
C[C@H]1[C@H](C(c2c1c(nn2C(C)(C)C)N(C)C)(F)F)C	SCHEMBL19788766,PC-id_134186168	271.349	LOPYCHALFIBMEM-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-037945
c1(C(N)c2ccc(cc2)C)c2CCCc2oc1COC	MCULE-4740024544,PC-id_83610069	271.354	NMVZUILHSUVJNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037946
c1(C(N)c2ccc(cc2)OC)c2CCCc2oc1CC	PC-id_83610226,MCULE-8748855792	271.354	UNIVSGMINQTSRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037947
c1(C(N)c2ccc(cc2)OCC)c2CCCc2oc1C	PC-id_83610148,MCULE-8856085817	271.354	CUKJIUVLCUWIKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037948
o1c2c(CCC2)c(C(N)c2cc(c(OC)cc2)C)c1C	PC-id_83610154	271.354	ZEUGCYYSJBNWJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037949
o1c2c(CCC2)c(C(N)c2c(OC)ccc(c2)C)c1C	PC-id_83610156	271.354	YNZRWWWTBURJFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-037950
CCOC(=O)c1sc(c2c1CN(C2=O)C)SC	PC-id_66874682,SCHEMBL1007107	271.356	LRLXMDWOQJLMDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037951
COC(=O)c1c(sc2c1CCC2)NC(=O)CS	PC-id_87894449,SCHEMBL5805624	271.356	IYTAUQNYWVLLFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-037952
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)OCC	MCULE-5971347550,EMOLS-id_330963701	271.357	NYTDKYIBAUQDLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037953
c12CN(Cc1nn(CCC)c2CO)Cc1ccccc1	MCULE-1290824243,EMOLS-id_324346988	271.357	GJKURYBTSNIVEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037954
c12CN(Cc1nn(CC(C)C)c2O)Cc1ccccc1	MCULE-4594118273,EMOLS-id_324339050	271.357	YVRJIFMANUKOJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037955
c1coc(C2CCN(Cc3cnn4c3CCC4)CC2)c1	ZINC22_668462154,EMOLS-id_313136975,MCULE-2124421381	271.357	CBONQUGZVDXABU-UHFFFAOYSA-N	00000010101010000001100010000000000000000000000000000000	25-01-037956
CC1CC1c1ccc(o1)CNC1CC(n2c1ncc2)C	EMOLS-id_318325296,MCULE-3018178167	271.357	NEFLRRYXBGAEPE-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-037957
Cc1ccc(C(C)C)c(OCc2nnc3n2CCC3)c1	ZINC22_26507584,PC-id_21178840,CoCoCo_5900952	271.357	AOIQVVTYOSGTAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037958
CC1CC(C)(C)n2c(CCc3ccccc3O)nnc12	EMOLS-id_317873899,PC-id_138809935,MCULE-8662157044	271.357	DHYJOKSXSFXHNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037959
CC(Cc1ccccc1O)NC1CC(n2c1ncc2)C	EMOLS-id_319934634,MCULE-3477529881	271.357	DGBLPIOBKCMCFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037960
CC(COc1ccccc1)NCc1n[nH]c2CCCc12	EMOLS-id_32432074,PC-id_50981982,MCULE-4253660304	271.357	KRZYPDJDRUFQBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037961
CC(C)OCc1nnc2CC(Cc3ccccc3)Cn12	EMOLS-id_323942532,MCULE-4671955096,PC-id_139599300	271.357	JNZTYKDDHGNMLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037962
CC(C)OCc1nnc2n1C[C@@H](Cc1ccccc1)C2	ZINC22_1800411416	271.357	JNZTYKDDHGNMLM-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037963
CC(C)OCc1nnc2n1C[C@H](Cc1ccccc1)C2	ZINC22_1800411417	271.357	JNZTYKDDHGNMLM-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037964
C[C@@H]1CC(C)(C)n2c(CCc3ccccc3O)nnc12	ZINC22_1775981725	271.357	DHYJOKSXSFXHNF-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037965
C[C@H]1CC(C)(C)n2c(CCc3ccccc3O)nnc12	ZINC22_1775981727	271.357	DHYJOKSXSFXHNF-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-037966
C[C@@H](COc1ccccc1)NCc1n[nH]c2c1CCC2	PC-id_95228047,ZINC22_67955095	271.357	KRZYPDJDRUFQBE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037967
C[C@H](COc1ccccc1)NCc1n[nH]c2c1CCC2	PC-id_95228048,ZINC22_67955097	271.357	KRZYPDJDRUFQBE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037968
CCOc1ccccc1Cn1nc2CCC(C)c2c1N	EMOLS-id_331010212,MCULE-3180824685	271.357	KICPQVCPTGRBHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037969
CCOc1ccccc1Cn1nc(N)c2C(C)CCc12	MCULE-5086504866,EMOLS-id_330961143	271.357	ZOKWNWUWYJURDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037970
CCOc1ccc(Cn2nc3CCC(C)c3c2N)cc1	MCULE-2499314908,EMOLS-id_331012770	271.357	SHSAYCXMZQHMOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037971
Cn1nc2c(c1NC(=O)C=C(C1CC1)C1CC1)CCC2	ZINC22_49425513,PC-id_47461182,MCULE-2167847382,EMOLS-id_45756415	271.357	KMEBWFQCBWUBRI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-037972
CNC(c1nc2c([nH]1)CCC2C)c1ccc(cc1)OC	PC-id_102970212	271.357	LZFYJDGTJLKWJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037973
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331010477,MCULE-8458040420	271.357	XVCMDVUGLAFUSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037974
COc1ccccc1C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331011502,MCULE-6118006726	271.357	OEJSRIYAVSUTLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037975
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331011754,MCULE-9878734052	271.357	WPHBAHAZLGKRBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037976
COc1ccc(c(c1)C)CNC1CC(n2c1ncc2)C	MCULE-3456586118,EMOLS-id_318269045	271.357	UFRSURFXSGKMKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037977
COc1cccc(c1C)CNC1CC(n2c1ncc2)C	MCULE-5677509736,EMOLS-id_318139559	271.357	CYBHOYHMLYKLHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037978
COc1ccc(cc1[C@H](NC1CCn2c1ncc2)C)C	EMOLS-id_318314074	271.357	FARJYRUXEIFNDV-PUODRLBUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037979
COc1ccc(cc1[C@@H](NC1CCn2c1ncc2)C)C	EMOLS-id_318317814	271.357	FARJYRUXEIFNDV-NBFOIZRFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037980
COc1ccccc1Cn1nc2CCC(C)c2c1CN	MCULE-6764416673,EMOLS-id_330996921	271.357	LTEMFNMSTPRLSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037981
COc1ccccc1Cn1nc(CN)c2C(C)CCc12	EMOLS-id_331011071,MCULE-8552362192	271.357	FAQMTSVTWFCHQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037982
COc1ccc(cc1)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_317917588,MCULE-5440791009	271.357	KCPVTECZJQNMFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037983
COc1ccc(cc1CNC1CC(n2c1ncc2)C)C	EMOLS-id_318172298,MCULE-9638884884	271.357	MABOFTHOKSGOSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037984
COc1ccc(cc1C(NC1CCn2c1ncc2)C)C	MCULE-1404276181,EMOLS-id_317976497	271.357	FARJYRUXEIFNDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037985
COc1ccccc1C(NC1CC(n2c1ncc2)C)C	MCULE-8044269703,EMOLS-id_317972649	271.357	DWVSKQXWRKJLJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037986
COc1cccc(c1)C(NC1CC(n2c1ncc2)C)C	MCULE-8909070996,EMOLS-id_317942890	271.357	NTHRXKWZUPQINS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037987
COc1ccc(cc1NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318053541,MCULE-4644550903	271.357	RGHIKSMEVUSFJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037988
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1N	MCULE-9550530860,EMOLS-id_331010468	271.357	QPNODYZJAMVZIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037989
COc1ccc(C)cc1Cn1nc(N)c2C(C)CCc12	EMOLS-id_330961399,MCULE-5271487368	271.357	VTIDYGRCGAHLFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037990
COc1c(C)ccc(c1C)NC1CC(n2c1ncc2)C	EMOLS-id_317949622,MCULE-6861119773	271.357	RXRVMYGGDUOTKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037991
COc1cc(C)ccc1CNC1CC(n2c1ncc2)C	MCULE-9226308646,EMOLS-id_318016784	271.357	UFENHLWQGOTKCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037992
COc1c(C)ccc(c1C)NCc1cnc2n1CCC2	EMOLS-id_317921388,MCULE-2181850975	271.357	HOQBBBMFFXIMOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037993
COc1cc(C)ccc1NC(c1nn2c(c1)CCC2)C	EMOLS-id_318368327,MCULE-2892738994	271.357	LYQKVADUYNUVHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037994
COc1ccc(C)c(Cn2nc3CCC(C)c3c2N)c1	MCULE-2887504679,EMOLS-id_331012008	271.357	PUTIJPFPEPEEGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037995
COc1ccc(C)c(Cn2nc(N)c3C(C)CCc23)c1	MCULE-7193674087,EMOLS-id_330962939	271.357	CWZHORPXIDTMGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037996
COc1cccc(Cn2nc3CCC(C)c3c2CN)c1	EMOLS-id_330993848,MCULE-1382638748	271.357	QCLHNCUNTPAIND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037997
COc1cccc(Cn2nc3CCC(C)c3c2N)c1C	EMOLS-id_331011752,MCULE-7682559503	271.357	HWRYGFDRTCUDCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037998
COc1cccc(Cn2nc(CN)c3C(C)CCc23)c1	MCULE-2504230359,EMOLS-id_331012093	271.357	ZVZOFGWVRMGXPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-037999
COc1cccc(Cn2nc(N)c3C(C)CCc23)c1C	EMOLS-id_330962683,MCULE-3072113955	271.357	KSGIDHDVGMEPOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038000
COc1ccc(Cn2nc3CCC(C)c3c2CN)cc1	MCULE-8922396772,EMOLS-id_330996405	271.357	JZXLXCYTBSCCOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038001
COc1ccc(Cn2nc3CCC(C)c3c2N)cc1C	MCULE-8058149893,EMOLS-id_331009711	271.357	IQNRBXHCUARUAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038002
COc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1	MCULE-9952924198,EMOLS-id_331010555	271.357	UQPGAUZSQOAFPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038003
COc1ccc(Cn2nc(N)c3C(C)CCc23)cc1C	EMOLS-id_330964722,MCULE-6509770237	271.357	JMGSYGPGRVOIJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038004
COc1cc(Cn2nc3CCC(C)c3c2N)ccc1C	MCULE-9128088457,EMOLS-id_331011234	271.357	ZXXLOERZEKVFQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038005
COc1cc(Cn2nc(N)c3C(C)CCc23)ccc1C	EMOLS-id_330962165,MCULE-8327872583	271.357	DOLTYLWKSJZJGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038006
COc1cc(CNC2CC(n3c2ncc3)C)cc(c1)C	EMOLS-id_318362682,MCULE-3382583826	271.357	ZUXKNXLPPYBBLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038007
COc1cc(CNC2CC(n3c2ncc3)C)ccc1C	MCULE-8894381906,EMOLS-id_318324031	271.357	SCEBJYCYGNDXRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038008
COc1cc(NCc2cnc3n2CCC3)c(cc1C)C	MCULE-6843738237,EMOLS-id_318176102	271.357	IKQAOWHAKYHTHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038009
COCc1ccccc1Cn1nc2CCC(C)c2c1N	EMOLS-id_331012264,MCULE-5641315748	271.357	GBPCDGCBNWRWIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038010
COCc1ccccc1Cn1nc(N)c2C(C)CCc12	MCULE-9689635694,EMOLS-id_330963195	271.357	CLAWIWOEGVWDGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038011
N#CCCn1nc(c2c1CCC2=O)CCC1CCCC1	PC-id_22732734,SCHEMBL6167954	271.357	XXHJXWYQEDGVFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038012
O=c1[nH]n(c2C(N(Cc12)Cc1ccccc1)C(C)C)C	PC-id_83851676	271.357	ZOMHWCBIXSFIIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038013
CCC(S(=O)(=O)Nc1sc2c(n1)CCC2)C#N	PC-id_65568641,EMOLS-id_315297182	271.359	UVWCDWMHIWDDMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038014
S1c2n(CC1)cc(n2)CCNS(=O)(=O)CC#C	PC-id_7640569	271.359	SVYVGRLFYLHQPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038015
c1(CN(C)Cc2ccnc(CC)n2)c2CCCc2[nH]n1	PC-id_77094207,ZINC22_216208763,MCULE-9877110442,EMOLS-id_49893623	271.361	OQHBKPWTYIDNRW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038016
c1c[nH]c(C2CCN(Cc3cnc4n3CCC4)CC2)n1	ZINC22_667564393,MCULE-6059977692,EMOLS-id_313137997	271.361	KHISSBPFOZKLOW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-038017
CC1CC(c2n1ncn2)NCCCNc1ccccc1	EMOLS-id_177293268,MCULE-2027843327	271.361	SDDBHNNDWLNPPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038018
Cc1c(cnn1C1CCCC1)NC1CCn2c1ncc2	EMOLS-id_318290441,MCULE-6251407581	271.361	GUQUTUJETJBURW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038019
CCCc1nccnc1NCc1c2c(nn1C)CCC2	EMOLS-id_320383102,MCULE-3987015034,PC-id_139019129,ZINC22_902135304	271.361	OMEKCROLAXOMCW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038020
CCCC(c1ccccn1)NC1CC(n2c1ncn2)C	EMOLS-id_279082779	271.361	KRXFAQNXLAGYKU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038021
C[C@H]1C[C@@H](NCCCNc2ccccc2)c2ncnn12	ZINC22_585134985	271.361	SDDBHNNDWLNPPC-GXTWGEPZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038022
C[C@H]1C[C@H](NCCCNc2ccccc2)c2ncnn12	ZINC22_585134986	271.361	SDDBHNNDWLNPPC-JSGCOSHPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038023
C[C@@H]1C[C@H](NCCCNc2ccccc2)c2ncnn12	ZINC22_585134987	271.361	SDDBHNNDWLNPPC-OCCSQVGLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038024
C[C@@H]1C[C@@H](NCCCNc2ccccc2)c2ncnn12	ZINC22_585134988	271.361	SDDBHNNDWLNPPC-TZMCWYRMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038025
CC(n1ncc(c1)NC1CC(n2c1ncc2)C)C1CC1	MCULE-8935519604,EMOLS-id_318373430	271.361	JPALIVXUKPKUNM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038026
Cn1ncc(c1CNC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_318393856,MCULE-5389469013	271.361	XUJWQPIEMQRMER-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038027
CC1Cc2c(C1)c(c(s2)N)C(=O)c1ccc(cc1)C	SCHEMBL133891,PC-id_66603427	271.377	GMBWNBHCOYTTLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038028
Cc1ccc(c(c1)C)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2454974,PC-id_21955859	271.377	XZGFDKOVIGDREJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038029
Cc1ccc(cc1)C(=O)c1c(N)sc2c1CCC2C	SCHEMBL138626,PC-id_66604055	271.377	ZCXFMECZNWHFTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038030
Cc1ccc(C)c(NC(=O)c2cc3c(s2)CCC3)c1	PC-id_8702348,EMOLS-id_16797552,CoCoCo_3232969,MCULE-5574070792,ZINC22_7599140	271.377	WXUOZUFJNMUIAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038031
Cc1cc(C)c(C(=O)c2c3c(CCC3)sc2N)cc1	EMOLS-id_46218519,MCULE-4878988915,PC-id_28337435,ZINC22_19776227	271.377	WTLOMMHGHMUZAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038032
Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1C	ZINC22_6998017,PC-id_4827653,CoCoCo_3245067,MCULE-3762384571,EMOLS-id_3484311	271.377	ZGDMGTWVGJTKDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038033
Cc1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	EMOLS-id_17161389,PC-id_8781186,ZINC22_7670862,CoCoCo_3270095,MCULE-7844444996	271.377	YLSQJYJJCRZDHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038034
Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1C	CoCoCo_3245558,EMOLS-id_16799349,ZINC22_7637669,MCULE-5159030548,PC-id_8743331	271.377	WZQXVNSOACPXIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038035
Cc1ccc(NC(=O)c2cc3c(s2)CCC3)c(C)c1	PC-id_8714309,EMOLS-id_29948823,MCULE-3924836928,CoCoCo_3245329,ZINC22_7610072	271.377	GQCHQGXTCSFCDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038036
CCC1CCc2c1c(c(s2)N)C(=O)c1ccccc1	PC-id_116176055	271.377	HFIYDWLBRGQNJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038037
CCc1ccc(cc1)C(=O)c1c(N)sc2c1CCC2	PC-id_28337430,SCHEMBL134601	271.377	WENUDJMTUFQWDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038038
CCc1ccc(nc1)CC(=O)c1sc2c(c1)CCC2	PC-id_113659549	271.377	KMNHEQKEXSGDMD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038039
CC(=O)c1ccc(cc1)NCc1sc2c(c1)CCC2	PC-id_114468168	271.377	RTKQHRFRBVMUDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038040
COc1ccccc1C[NH2+][C@H]1CC(n2c1ccc2)(C)C	GD-id_ZINC01496218	271.377	ZKKXGTIKTSIYDN-AWEZNQCLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-038041
O=C(c1nc2c(s1)C(CC2C)(C)C)c1ccccc1	PC-id_113861829	271.377	XRIDNTAFOXJTSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038042
O=C(c1sc2c(c1)CCC2)N(Cc1ccccc1)C	PC-id_112760074	271.377	NFSWMHWVZMBSOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038043
s1c2CCCc2cc1C(=O)Nc1c(CC)cccc1	PC-id_8839297	271.377	CUXKPWDCYQWROQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038044
s1c2CCCc2cc1C(=O)Nc1ccc(CC)cc1	PC-id_9208694	271.377	JQNJOMJAZJGLQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038045
s1c2CCCc2cc1C(=O)NC(c1ccccc1)C	PC-id_47105829	271.377	ANFUCENVXABSCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038046
s1c2CCCc2cc1C(=O)NCc1c(cccc1)C	PC-id_9183910	271.377	LQCOSSRBYPZJNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038047
s1c2CCCc2cc1C(=O)NCCc1ccccc1	PC-id_29200942	271.377	RSZXEWVJQDSQAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038048
s1c2CCCc2cc1C(=O)N[C@H](c1ccccc1)C	PC-id_9032451	271.377	ANFUCENVXABSCA-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-038049
s1c2CCCc2cc1C(=O)N[C@@H](c1ccccc1)C	PC-id_9032455	271.377	ANFUCENVXABSCA-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038050
s1c2c(CCC2)c(c1N)C(=O)c1cc(c(cc1)C)C	PC-id_28337429	271.377	KGAPTGLQMDGJCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038051
s1c2c(C(CC2)(C)C)c(c1N)C(=O)c1ccccc1	PC-id_79863828	271.377	OVBDMLAWYIWWFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038052
CC(c1n[nH]c2c1CN(C2)S(=O)(=O)C(C)(C)C)C	PC-id_118489232,SCHEMBL17229704	271.379	CQLAUWXAAHKYGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038053
CC(CS(=O)(=O)N1Cc2c(C1)c(n[nH]2)C(C)C)C	SCHEMBL17229690,PC-id_118489220	271.379	JYMWNNPBTFFTMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038054
CCS(=O)(=O)CCn1nc2c(c1N)C(CC2)(C)C	PC-id_79865799,EMOLS-id_314683254	271.379	AHEKYKITZXLLER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038055
CN(Cc1[nH]c(c2c1CS(=O)(=O)C2)CN(C)C)C	PC-id_102206688	271.379	JQNIGOICFOGHQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038056
N#Cc1cc(cn1C)CNCc1sc2c(c1)CCC2	PC-id_103203151	271.381	GREQIMWGEYZMJV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038057
s1c2CCCc2cc1C/N=C(/Nc1ccccc1)N	PC-id_62368572	271.381	FFCYIANXKVRXRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038058
s1c(nc2c1CCC2)C(NC1CC1)c1cccnc1	PC-id_61335479	271.381	BVFMDYPZUMRFCP-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-038059
CC(CC(N1Cc2c(C1)cn[nH]2)CNS(=O)C)N	PC-id_144237702	271.382	XWMXCROTSFSDRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038060
CC(CSCc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287253	271.399	RMFFYVGNWZWQIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038061
CCC(SCc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287296	271.399	GKMJVROKCKTWGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038062
CCSCc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287126	271.399	LOYRZIIWUKAJOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038063
CSc1scc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_139679531	271.399	MCOBHSQOQNEROQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038064
OC(=O)C1CCc2c1nc(s2)CSC(C)(C)C	PC-id_104287372	271.399	SLYAPASUVYKYLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038065
S1c2c(n(c(c2SC1)C)C(=O)OC(C)(C)C)C	PC-id_10683551	271.399	PZQMCNRNLDYDFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038066
S1(=O)Cc2c(sc(c2)C(=O)NCCC(C)C)C1	PC-id_4058939	271.399	JCHRMTXQTCZDCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038067
S1(=O)(=O)CC(NCc2sc3c(CCC3)c2)CC1	PC-id_61207234	271.399	PWTZKOJRBNZEDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038068
CSCC[C@H](C(=O)Nc1sc2c(n1)CCC2)N	EMOLS-id_314492862,PC-id_113572064	271.402	CGYGUOMJOOXXDV-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038069
CSCC[C@@H](C(=O)Nc1sc2c(n1)CCC2)N	PC-id_54963350,EMOLS-id_38357801	271.402	CGYGUOMJOOXXDV-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038070
s1c2CCCc2nc1NC(=O)C(N)CCSC	PC-id_76230056	271.402	CGYGUOMJOOXXDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038071
Cc1cc(cc(c1)C)CC(c1sc2c(c1)CCC2)N	PC-id_115800071	271.42	XTYRDJRYKBAYDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038072
Cc1cc(C)c(cc1C(c1sc2c(c1)CCC2)N)C	PC-id_104990388	271.42	RFILVAXBMFCBMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038073
CCc1cccc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_105018441	271.42	YFAIEKWGPWTUHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038074
CCc1ccc(cc1)CC(c1sc2c(c1)CCC2)N	PC-id_115803076	271.42	DEJHTHSANFJPJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038075
CCCc1cccc(c1)C(c1sc2c(c1)CCC2)N	PC-id_105050244	271.42	FDIRNAOYCRXNDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038076
CCNC(c1ccccc1C)c1sc2c(c1)CCC2	PC-id_115795104	271.42	SYZVWMHFHJWFDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038077
CCNC(c1sc2c(c1)CCC2)c1cccc(c1)C	PC-id_115790455	271.42	JVMZWJWOHGKKTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038078
CNC(c1cccc(c1C)C)c1sc2c(c1)CCC2	PC-id_115850252	271.42	KWOJBOWZVVWWHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038079
CNC(c1sc2c(c1)CCC2)c1cc(C)cc(c1)C	PC-id_115796416	271.42	RENDOPJRHVGRAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038080
CNC(c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_115793514	271.42	SDMVENZADUHXSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038081
NC(c1sc2c(c1)CCC2)Cc1c(C)cccc1C	PC-id_105024424	271.42	WSYHOIAGFBRJBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038082
NC(c1sc2c(c1)CCC2)CCCc1ccccc1	PC-id_115849354	271.42	SYWNXSGNQCUYBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038083
s1c2c(CCC2)cc1C(N)c1c(cc(cc1C)C)C	PC-id_43464193	271.42	ITYWSZXDCUPJFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038084
s1c2c(CCC2)cc1C(N)c1ccc(CCC)cc1	PC-id_43464289	271.42	DEPCECVSETWLHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038085
s1c2c(CCC2)cc1C(N)c1ccc(C(C)C)cc1	PC-id_43625281	271.42	FKBOHSVPWGQJOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038086
s1c2c(CCC2)cc1C(NC)c1cc(c(cc1)C)C	PC-id_43480128	271.42	LSQSDUMCSMVEND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038087
s1c2c(CCC2)cc1C(NC)c1c(cc(cc1)C)C	PC-id_43482605	271.42	GEDNLEAEQNVMAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038088
s1c2c(CCC2)cc1C(NC)c1c(ccc(c1)C)C	PC-id_43483737	271.42	DHIXPIRMDFSPNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038089
s1c2c(CCC2)cc1C(NC)c1ccc(cc1)CC	PC-id_43484635	271.42	LPXJUCXDFCVJMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038090
s1c2c(CCC2)cc1CNCc1cc(cc(c1)C)C	PC-id_54978581	271.42	JLPLODPUSDLHKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038091
s1c2c(CCC2)cc1C(N)Cc1cc(c(cc1)C)C	PC-id_55086720	271.42	XHWMZTMROJUUPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038092
s1c2c(CCC2)cc1C(N)Cc1c(ccc(c1)C)C	PC-id_55087054	271.42	AYVGHPQHSDBDFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038093
s1c2c(CCC2)cc1CNC(c1cc(ccc1)C)C	PC-id_61206664	271.42	OHNASUFWBCEFHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038094
s1c2c(CCC2)cc1CNC(c1c(cccc1)C)C	PC-id_61206833	271.42	RJKPJPWHBGGSOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038095
s1c2CCCc2cc1CNCc1ccc(cc1)CC	PC-id_61207015	271.42	OMTFTMFLAZGPER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038096
s1c2c(CCC2)cc1CNCc1c(cc(cc1)C)C	PC-id_61207204	271.42	MOQLUAWSMLPLAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038097
s1c2c(CCC2)cc1CNC(c1ccc(cc1)C)C	PC-id_61207208	271.42	GXKCHQIVOHPZKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038098
s1c2c(CCC2)cc1CNCc1cc(c(cc1)C)C	PC-id_61207225	271.42	JMMVVAWYLMQIIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038099
s1c2c(CCC2)cc1CNCc1c(ccc(c1)C)C	PC-id_61481754	271.42	ZOSMHBBPEBUQHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038100
s1c2c(CCC2)cc1CNCc1c(c(ccc1)C)C	PC-id_61637104	271.42	AUHRKJQTIONTFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038101
s1c2c(CCC2)cc1CNCc1c(cccc1C)C	PC-id_81921318	271.42	XJESRFRHCISIGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038102
s1c2c(CCC2)cc1CNCc1c(CC)cccc1	PC-id_55066823	271.42	SZOGUZALAMIEAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038103
s1c2c(CCC2)cc1C(NCC)c1ccc(cc1)C	PC-id_43489266	271.42	LTGLKFZPVUYIOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038104
s1c2c(CCC2)cc1C(NC)Cc1c(cccc1)C	PC-id_61064537	271.42	ZIKNGQSZYOCIOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038105
s1c2c(CCC2)cc1C(NC)Cc1ccc(cc1)C	PC-id_61065425	271.42	WEXZYHOTDVRMGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038106
s1c2c(CCC2)cc1CNCC(c1ccccc1)C	PC-id_61207024	271.42	QDCGJYNMTXFNFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038107
s1c2c(CCC2)cc1C(NC)Cc1cc(ccc1)C	PC-id_62389386	271.42	YEGMIXZJKYCGGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038108
s1c2c(CCC2)cc1C(NCCC)c1ccccc1	PC-id_43494843	271.42	SVJQAYWTQKDDBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038109
s1c2c(CCC2)cc1C(NCC)Cc1ccccc1	PC-id_61064200	271.42	KKLIVZUTLQXVQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038110
s1c2c(CCC2)cc1CNC(CC)c1ccccc1	PC-id_61207209	271.42	RFKDZZFTDPCJEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038111
s1c2c(CCC2)cc1CNCCCc1ccccc1	PC-id_61207215	271.42	PYHUELDAULPQGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038112
S(C1c2n(CC1)cc(C(C)(C)C)c2)c1ccccc1	PC-id_10516292	271.42	IABGJKZIAYSCGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038113
O=[SH+]1N(Cc2c1ccs2)CC1(N)CCCCC1	PC-id_143363213	271.422	UIFUXUOXVCXIFE-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-038114
COC(=O)c1c(Cl)c(C(=O)C(=O)O)n2CCCc12	MCULE-7659281994,EMOLS-id_336520572	271.654	ZZVCLMMEPFDORU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038115
c12n(CCN1CC(F)F)ncc2S(=O)(=O)Cl	MCULE-2054043310,EMOLS-id_317863679	271.672	VRBGKEVWWQELQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038116
Clc1sc2CCC(NOCC(F)(F)F)c2c1	PC-id_82710776,EMOLS-id_315720584	271.687	OHXGWDFIYICONJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038117
C1CC(OC1)CNC(=O)c1nn2CCOc2c1Cl	PC-id_91960030	271.7	XXYLQWSKPLPFCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038118
C1CN(CCC1O)C(=O)c1nn2CCOc2c1Cl	PC-id_91960029	271.7	JOGIDZQCCBYETF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038119
Clc1nc2n(c1S(=O)(=O)N)CCS2(=O)=O	PC-id_14422495,SCHEMBL9517887	271.702	BYSZEJQJFKFNAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038120
ClC1n2c(nc(c2C#N)C#N)C(=C1C(C)(C)C)C#N	PC-id_23063928,SCHEMBL2273981	271.705	CVONPIMYARDKRK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-038121
Clc1n2c(N=C(C2C#N)C#N)c(c1C(C)(C)C)C#N	PC-id_67343512,SCHEMBL2273984	271.705	PBPZBRYZUUTCLE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-038122
O=C(C1(C)CC1(F)Cl)NCc1cnc2n1CCC2	EMOLS-id_319541868	271.718	UWBKLNRGNCNHSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038123
O=C(C1(C)CC1(F)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319668066	271.718	UQGDSTMMZPFGPD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038124
Clc1nc2SCCn2c1/C=N/N1CCNC1=O	PC-id_45028224,NSC741778	271.727	WMUDMGSZTIDQSH-LFYBBSHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038125
Clc1nc2SCCn2c1C=NN1CCNC1=O	PC-id_75085080	271.727	WMUDMGSZTIDQSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038126
O=C1NCCN1/N=Cc1c(Cl)nc2n1CCS2	PC-id_97464835	271.727	WMUDMGSZTIDQSH-XGICHPGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038127
CC1CCc2c1c(nn2Cc1ccccc1Cl)C#N	MCULE-2970171488,EMOLS-id_331019511	271.745	SQYBFZAHHODRMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038128
CC1CCc2c1c(nn2Cc1ccc(Cl)cc1)C#N	EMOLS-id_331020792,MCULE-8680737097	271.745	BXQMSGPOALQTSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038129
CC1CCc2nn(Cc3ccccc3Cl)c(C#N)c12	EMOLS-id_331004337,MCULE-6950470487	271.745	YGNBBHOTXQBNQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038130
CC1CCc2nn(Cc3ccc(Cl)cc3)c(C#N)c12	EMOLS-id_331005618,MCULE-5445537311	271.745	CNRJJCXQEZZIBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038131
Clc1sc2NC(Cc2c1)C(=O)N1CCNCC1	SCHEMBL13545639,PC-id_70931368	271.766	DDOJWSAKZJRFSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038132
Cc1nnc(s1)NC1CCc2c1cc(s2)Cl	PC-id_107648309	271.789	LSRZGFLCDMGWOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038133
Clc1cnc(s1)C(c1sc2c(n1)CCC2)N	PC-id_107124736	271.789	MIMVAGLABOLXMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038134
Clc1nsnc1NCc1sc2c(c1)CCC2	PC-id_106194070	271.789	ZMGOWHXRICPSNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038135
CC1OCCC1CNC1CCc2c1cc(s2)Cl	PC-id_105732587	271.806	CWJQEOYWVCXYDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038136
CC1OCCC(C1)NC1CCc2c1cc(s2)Cl	PC-id_103907270	271.806	KECOYOPGMLHRQB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-038137
CC(C1COCC1)NC1CCc2c1cc(s2)Cl	PC-id_116433466	271.806	IOFTXNGDYAOGFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038138
CC(CCCNC(=O)c1sc2c(c1)CCC2)Cl	PC-id_106129770	271.806	KFICBSKXCUAXDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038139
CCCC(CNC(=O)c1sc2c(c1)CCC2)Cl	PC-id_116270406,EMOLS-id_314286688	271.806	PQFYKKQZNZKABF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038140
CCC(CCNC(=O)c1sc2c(c1)CCC2)Cl	PC-id_116283099,EMOLS-id_314565414	271.806	MLWISGZOFHEDST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038141
CC(CCN(C(=O)c1sc2c(c1)CCC2)C)Cl	EMOLS-id_315949335,PC-id_116297726	271.806	MOZRVARIGDDKJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038142
CC(CC(NC(=O)c1sc2c(c1)CCC2)C)Cl	PC-id_104110689	271.806	DJSQWYYIFNFGLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038143
CC(=C)COCCNC1CCc2c1cc(s2)Cl	PC-id_115894148	271.806	JYIXQSMLHKRUKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038144
CCCN(C(=O)c1sc2c(c1)CCC2)CCCl	EMOLS-id_39813953,PC-id_63393264	271.806	ADSYHWYDQDJWCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038145
CCC(NC(=O)c1sc2c(c1)CCC2)(CCl)C	EMOLS-id_315686478,PC-id_114303666	271.806	AMZGUDYVVGNCCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038146
CCOC1CC(C1)NC1CCc2c1cc(s2)Cl	PC-id_102613932	271.806	XASOBCDGBNDCBB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-038147
CC(OCC=C)CNC1CCc2c1cc(s2)Cl	PC-id_114264112	271.806	YZUORCLOMVXYCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038148
Clc1cc2c(s1)CCC2NCCOCC1CC1	PC-id_103901861	271.806	CSFWPRVONUNPTO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-038149
Clc1cc2c(s1)CCC2NCCOCCC=C	PC-id_103905052	271.806	VLWZTVDTNGIYDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038150
Clc1sc2c(c1)C(CC2)NC1CC(C1(C)C)O	PC-id_113610025	271.806	NBYIOIQNCYETCO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-038151
Clc1sc2c(c1)C(CC2)NCCC1COCC1	PC-id_104537885	271.806	JYQLTWXHTFQJNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038152
Clc1sc2c(C(NC3CCC(O)CC3)CC2)c1	PC-id_81251934	271.806	XZGPESCCKGBHCY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-038153
Clc1sc2c(C(NC3CC(O)CCC3)CC2)c1	PC-id_81251729	271.806	NUXOJEXECVEQGC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-038154
Clc1sc2c(C(NC3C(O)CCCC3)CC2)c1	PC-id_81251621	271.806	OEUSUPWLQFLFIB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-038155
Clc1sc2c(C(NC3C(OC)CCC3)CC2)c1	PC-id_81252190	271.806	SPFOPQGZBDLFLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038156
Clc1sc2c(C(NCC3CCCOC3)CC2)c1	PC-id_81251961	271.806	RYVASVOPJWNRSU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-038157
Clc1sc2c(C(NCC3CCOCC3)CC2)c1	PC-id_81252504	271.806	BRTAFATUIWESEX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-038158
Clc1sc2c(C(NCC3C(O)CCC3)CC2)c1	PC-id_81251630	271.806	XLTZJOGGIUJSOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038159
Clc1sc2c(C(NC(C3OCCC3)C)CC2)c1	PC-id_81252573	271.806	IOSHNACTPZDETO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038160
Clc1sc2c(C(NCC3(OCCC3)C)CC2)c1	PC-id_81252820	271.806	HBDRSYLJJZLNPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038161
Clc1sc2c(C(NCC3(O)CCCC3)CC2)c1	PC-id_81251326	271.806	KCQRHODPFLNBEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038162
Clc1sc2c(C(NCC3OCCCC3)CC2)c1	PC-id_81252911	271.806	GKLCVNZVAURFRP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-038163
Clc1sc2c(C(NCCC3OCCC3)CC2)c1	PC-id_81252397	271.806	FNWULYNJCHOPTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038164
ClC(C(C)C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_314540072,PC-id_116245467	271.806	ZSQQCXMCWOGYOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038165
ClCC(C(C)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_315626838,PC-id_114305405	271.806	JQLMZXOOYHSSKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038166
ClCCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_107320821	271.806	UVQCGKCSJXECIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038167
ClCCCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38138745,PC-id_61208370	271.806	ZJRHZEZWERSFPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038168
ClCCCC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_315626076,PC-id_114305751	271.806	ZNMFSRBDXDDAEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038169
ClCCC(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_114306085,EMOLS-id_315633235	271.806	YXYOVQUBUGNJNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038170
ClCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_261071503	271.806	AWBCBIGZHWOJTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038171
ClCCCN(C(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_314562874,PC-id_116059013	271.806	OUVXWOCRLDCOOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038172
ClCCC(NC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_316008219,PC-id_116345184	271.806	KILLWYZGWQBPGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038173
ClCC(C(NC(=O)c1sc2c(c1)CCC2)C)C	PC-id_116186740	271.806	IMGFKLPGGNMKOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038174
ClCCC(NC(=O)c1sc2c(c1)CCC2)CC	PC-id_116269622	271.806	HXJGXEZURBHWOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038175
ClCC(C(=O)NCc1sc2c(c1)CCC2)(C)C	EMOLS-id_39938235,PC-id_63665487	271.806	DOXMLXGXCHEXQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038176
ClCCN(C(C)C)C(=O)c1sc2c(CCC2)c1	PC-id_63394031,EMOLS-id_39814391	271.806	DCLKHTNHUCJQPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038177
ClCC(N(C(=O)c1sc2c(c1)CCC2)C)(C)C	PC-id_116121846	271.806	OOQUVNRNZQPAIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038178
COC1(CCC1)CNC1CCc2c1cc(s2)Cl	PC-id_104006029	271.806	OXCSNFYKSZWQTG-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-038179
COC1CCC(C1)NC1CCc2c1cc(s2)Cl	PC-id_113773205	271.806	KRWHMJBZPJUNJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038180
OC1CCC(C1)CNC1CCc2c1cc(s2)Cl	PC-id_103271566	271.806	PNEZUEPYAWLIMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038181
OCC1CCCC1NC1CCc2c1cc(s2)Cl	PC-id_106359512	271.806	DUURFJHVVSDFAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038182
O=C(c1sc2c(c1)CCC2)NC(C(Cl)C)(C)C	PC-id_116359853,EMOLS-id_315963949	271.806	IWJRGIULZZPTIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038183
OCCC1(CNC2CCc3c2cc(s3)Cl)CC1	PC-id_114750728	271.806	MXSLTTJCAQTPPS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-038184
Clc1sc2c(C(NN3CCN(CC3)C)CC2)c1	PC-id_83009081	271.809	FTHFYQRXVBDRND-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038185
Clc1cc2c(s1)CCC2NCCSCC#C	PC-id_115891563	271.829	LNASYTBBXVVIHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038186
CC(CCCCNC1CCc2c1cc(s2)Cl)C	PC-id_113287334,EMOLS-id_315673282	271.849	WALGRZLPNGDXTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038187
CC(C(CNC1CCc2c1cc(s2)Cl)(C)C)C	PC-id_114099438	271.849	IBJQSAZDAOIVAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038188
Clc1sc2c(C(NC(C(CC)CC)C)CC2)c1	PC-id_81251322	271.849	KQQTXSWUGZRCRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038189
Clc1sc2c(C(NC(CCC(C)C)C)CC2)c1	PC-id_81251829	271.849	BKAKMXPVHROTIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038190
Clc1sc2c(C(NC(CCCCC)C)CC2)c1	PC-id_81252054	271.849	ZVRIMLZIKACGNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038191
Clc1sc2c(C(NC(CC(CC)C)C)CC2)c1	PC-id_81252608	271.849	OBYKTDGXGFCMCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038192
Clc1sc2c(C(NCC(C(C)(C)C)C)CC2)c1	PC-id_83142736	271.849	YUGMWFLYSCHDAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038193
C1CC2=C(C1C(=O)O)C=C(S2)C(=O)C3=CC=CC=C3	PC-id_152756735	272.051	JWAKBWRBBKRLND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038194
O=CC1(Br)Cc2n(C1=O)ccc2C(=O)O	PC-id_142058806	272.052	BGSGZEJNZXJYDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038195
CCCCC1(CC2=C(C1N)N=C(S2)Cl)CCC	PC-id_155180037	272.111	HDZVCYFTTUSXOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038196
CCC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=CN3	PC-id_152781785	272.116	NQNKTPQUDZXBGJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038197
CCN1C=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)O	PC-id_148095681	272.116	MSDUPEWEWAEBCP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038198
CCOC(=O)C1=NN(C2=C1COC2)CC3=CC=CC=C3	PC-id_165387918	272.116	IDZQWLJEXHBHJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038199
CN1C=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)OC	PC-id_148550509	272.116	PCZMVGYQNXCQAP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038200
CC1(C2=C(CN1OC(=O)C3=CC=CC=C3)C(=NN2)N)C	PC-id_153105987	272.127	VRZQYSXDDYHHMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038201
Clc1c2S(=O)(=O)N(C(=O)c2sc1Cl)C	PC-id_16637561	272.129	LHFDYCYPGMMPCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038202
Brc1n(cc2C(CCc12)C(=O)O)C(C)C	PC-id_83913685	272.138	MZXZBQPAQFFLNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038203
CC1=CN=C(C=N1)C(=O)NC(C)C2=NN=C3N2CCC3	PC-id_154773752,MCULE-6192182199,EMOLS-id_257873233	272.139	NSAPOGAGJOPXGV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038204
CC1=NN=C(C=C1)C(=O)NC(C)C2=NN=C3N2CCC3	PC-id_154793324	272.139	DRCJFXKPTOYREU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038205
BrC(C(=O)N1Cc2c(C1)c[nH]n2)C(C)C	MCULE-6756390987,EMOLS-id_313803330	272.142	MMSYSJYDFTURKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038206
CC1N(CCCC)C(=O)c2n1c(Br)cn2	PC-id_140263702	272.142	BGCCNQLDOHSRJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038207
CC1N(CCCC)C(=O)c2n1cc(n2)Br	PC-id_140263689	272.142	VZCXTILJNFOPNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038208
CCCCCN1Cn2c(C1=O)ncc2Br	PC-id_140263681	272.142	QPTIRYPVRWPZQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038209
CCCCN1Cn2c(Br)c(C)nc2C1=O	EMOLS-id_89945168	272.142	LUEGOHNFNFSJQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038210
CC(CCN1Cn2c(C1=O)ncc2Br)C	PC-id_140263625	272.142	BJQSUDIGGFZNPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038211
C1CC2=C(C1)N(N=C2C(=N)CN)CC3=CC=CC=C3F	PC-id_160876468	272.144	OTCZJGLJCLVOSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038212
CC1=NCc2c(c(nn12)C(C)(C)C)N=Nc1ncn[nH]1	PC-id_164149938	272.15	QQYBOJMYQRBDNA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-038213
C/C=CC=C/CCC(=O)C1=CC=C2N1CCC2C(=O)N	PC-id_147004111	272.152	ASPKTJDOGDABFY-LDIADDGTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038214
Brc1cc2c(s1)CCC2NOCC#C	EMOLS-id_262131741	272.162	VFSWCEIEOZFYLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038215
CC1=C(C(=O)N(C=C1)C)NCC2=C3CCCC3=NN2C	PC-id_154778837	272.164	LOOZJOSJTJAYMD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038216
O=C(c1ocnc1C(F)(F)F)N1Cc2c(C1)cn[nH]2	EMOLS-id_318348171	272.183	ZQQXRZFDYGWQGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038217
O=C(N1CCn2c1ccn2)c1ocnc1C(F)(F)F	EMOLS-id_320107588,MCULE-4434404609	272.183	XSRBCNLUNZMDQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038218
c12C(C)CCc1n(nc2Br)CCN(C)C	MCULE-6594159550,EMOLS-id_330970104	272.185	YZXREOXQRLSCMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038219
c12C(C)CCc1nn(CCN(C)C)c2Br	MCULE-9437810541,EMOLS-id_331018922	272.185	ALKASELBJSRABE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038220
CC1CCc2c1c(CBr)nn2CCCN	MCULE-2634729125,EMOLS-id_331033613	272.185	UYNGRZGSTLLBSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038221
CC1CCc2nn(CCCN)c(CBr)c12	EMOLS-id_331017660,MCULE-7196117043	272.185	JVLAJBNVVHYANM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038222
Brc1cc2c(s1)CCC2NC1CCC1	EMOLS-id_262136535	272.205	ZOTHIHYCGAEYDR-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-038223
Brc1cc2c(s1)CCC2NCC1CC1	EMOLS-id_262136538	272.205	XFLXROULJPRFQW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-038224
BrC(=C)CNCc1sc2c(c1)CCC2	EMOLS-id_38138667,PC-id_61207788	272.205	AQYVHCMTWBCHEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038225
CC(=C)CNC1CCc2c1cc(s2)Br	EMOLS-id_262136780	272.205	PEURDXATJVFBFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038226
CC=CCNC1CCc2c1cc(s2)Br	EMOLS-id_313641834	272.205	DKYZGALSOOKMOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038227
[SeH]=c1sc2CS(=O)(=O)Cc2s1	PC-id_14169035	272.247	VHYVSQXRQDTSMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038228
CCOC(=O)Cn1nc2c(c1C(F)F)CC(C2=O)C	PC-id_144505366	272.248	KYHCEGPHRGQUEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038229
O=C(C1NCc2c1c[nH]n2)N1CCOCC(C1)(F)F	EMOLS-id_319196416	272.251	LWTANJFAAXMAOX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-038230
c1(C(=O)Nc2cccc(c2)N(=O)=O)c2CCCc2[nH]n1	MCULE-7036098248,EMOLS-id_323257784	272.259	MOMDDENXLGYKMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038231
c1(C(=O)Nc2ccc(cc2)N(=O)=O)c2CCCc2[nH]n1	MCULE-7247418640,EMOLS-id_323257526	272.259	ZBSSWWSDUBBPTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038232
O=C(c1cc(O)nc(C2CC2)n1)N1Cc2conc2C1	ZINC22_1875296789	272.259	PMNRXVRIOHKNLP-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-038233
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccn1	SCHEMBL2925037,PC-id_68443065	272.263	SBELLPLRODXUTD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038234
NC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1cccnc1	SCHEMBL2924624,PC-id_68442890	272.263	LVKITXHJJQTWPU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038235
NC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccncc1	SCHEMBL2915659,PC-id_68439693	272.263	VTMUXGSANVRZQY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038236
c12CN(Cc1nn(CC(C)C)c2C#N)CC(F)(F)F	EMOLS-id_324355688,MCULE-5434391063	272.27	ZNBMVYIYEVILLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038237
CCOC(=O)c1sc(c2c1OCO2)C(=O)OCC	SCHEMBL6314895,PC-id_12197508	272.274	PJTHUNGQLJVKFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038238
C1Cc2c(C(=O)NN=Cc3c(F)cccc3)n[nH]c2C1	MCULE-3945167782,PC-id_1990391	272.278	KPMSAIBZJPEJRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038239
c1(C(=O)NN=Cc2ccc(cc2)F)c2CCCc2[nH]n1	PC-id_5399695,MCULE-4786492233	272.278	VBHORVAZMUYCMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038240
Fc1ccc(cc1)/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_44516,CoCoCo_44514	272.278	VBHORVAZMUYCMN-PXNMLYILSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038241
Fc1ccc(cc1)/C=N/NC(=O)c1n[nH]c2c1CCC2	CoCoCo_44513,STOCK3S-35847,EMOLS-id_627615,BAS-00338641,CoCoCo_44515,PC-id_6862961	272.278	VBHORVAZMUYCMN-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038242
Fc1cc(C=NNC(=O)c2n[nH]c3CCCc23)ccc1	PC-id_3935723	272.278	KOJBQRRJTOAOMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038243
Fc1c(/C=N/NC(=O)c2n[nH]c3CCCc23)cccc1	SPECS-id_AT-225/JK16715,PC-id_6891288	272.278	KPMSAIBZJPEJRI-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038244
C1CN(C1S(=O)(=O)c1cnc2n1CCN2)C(=O)O	PC-id_136385048,SCHEMBL3886946	272.281	PZBGCRRZJDPEFS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-038245
CNC(=O)ON=C1n2ccnc2S(=O)(=O)C1(C)C	PC-id_53925803,SCHEMBL10997558	272.281	INRWMRUXNQAALD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038246
n12N=C(C(C)(C)C)C(=NNc3[n-]cnn3)c1nc(n2)C	PC-id_59247782	272.289	UDZVDXANYQMGFC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-038247
CCOC(=O)c1nn(c2c1[C@@H](C)[C@H](C2(F)F)C)CC	PC-id_121291967,SCHEMBL17697354	272.291	AEUPREPQAVGYPB-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038248
O=C(C1NCc2c1c[nH]n2)NCC(C(F)(F)C)(C)C	MCULE-6825535913,EMOLS-id_320226242	272.294	VSHZJHHLVLCSAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038249
c1(C(=O)O)c2CCCc2nn1Cc1cccc(OC)c1	MCULE-5804694251,PC-id_82306259	272.299	GVGPEDWDZXETRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038250
Cc1c(n2CCC(c2c1)C(=O)O)C(=O)c1cccn1C	PC-id_86735803	272.299	RUTJWWAVACHYPQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038251
CC(=O)n1c(c2CN(Cc2c1O)Cc1ccccc1)O	PC-id_90890732	272.299	ZFIMGHWDXJDNLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038252
COc1cncc(c1)CNC(=O)c1occ2c1CCC2	MCULE-7423551686,EMOLS-id_320003262	272.299	ZZLMZYQOWUOLQL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038253
o1nc2CCCc2c1NC(=O)c1ccc(OCC)cc1	PC-id_16942337	272.299	ZQZQKGVOAYUUEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038254
Oc1cccc(c1CNC(=O)c1[nH]c2c(c1)CCC2)O	EMOLS-id_319770406	272.299	XSZIMNZOLXRWQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038255
O=C(c1occ2c1CCC2)N1CCC(C1)c1nocc1	EMOLS-id_319202772	272.299	SPXKEUFLKHOBGX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038256
O=C(c1occ2c1CCC2)N1CCC[C@H]1c1nocc1	EMOLS-id_319872312	272.299	DAPDWOXLBYYMEX-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038257
O(CCn1nc2c(CCC2)c1C(=O)O)c1ccccc1	PC-id_82306266	272.299	SSFXYQHCZWJORH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038258
O(CCn1nc(c2c1CCC2)C(=O)O)c1ccccc1	PC-id_82306267	272.299	ASHMHVRBGDCOPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038259
OCCn1nc(c2c1CCC2=O)COc1ccccc1	PC-id_142652484	272.299	YMPXPTSBWLLQHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038260
OC(=O)C1CCc2n(c(nc12)COc1ccccc1)C	PC-id_84010995	272.299	ZOFNZANSAUSGGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038261
OC(=O)C1CCc2[nH]c(nc12)Cc1ccc(OC)cc1	PC-id_84010883	272.299	AWGGRDXKBKKQLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038262
OC(=O)C1CCc2[nH]c(nc12)Cc1c(OC)cccc1	PC-id_84010895	272.299	MSRHBAJLYRRBQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038263
OC(=O)C1CCc2[nH]c(nc12)CCOc1ccccc1	PC-id_84010925	272.299	VZTVHWFITDZKNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038264
OC(=O)C1CCc2[nH]c(nc12)COc1ccc(cc1)C	PC-id_84010907	272.299	CFLMXYVLFNLBQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038265
OC(=O)c1n(nc2c1CCC2)Cc1ccc(OC)cc1	PC-id_82306263	272.299	BRXLJVXTQCJKGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038266
OC(=O)c1n(nc2c1CCC2)Cc1c(OC)cccc1	PC-id_82306255	272.299	QPCNPTRPCRQUHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038267
OC(=O)c1nn(c2CCCc12)Cc1ccc(OC)cc1	PC-id_82306265	272.299	JRJDKKFFIZRMKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038268
OC(=O)c1nn(c2CCCc12)Cc1cc(OC)ccc1	PC-id_82306261	272.299	YMWADXVOLCULTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038269
OC(=O)c1nn(c2CCCc12)Cc1c(OC)cccc1	PC-id_82306257	272.299	DARKGCJQPBLXHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038270
c1(C(=O)N(C)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316329780,MCULE-3486595372	272.302	CMUDDEBPRPAROK-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038271
Cc1ccccc1NC(=O)Nc1nc(c2n1CCC2)O	BindingDB_PC-id_91936456,PC-id_91936456	272.302	PQJAEMUCXRVNBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038272
Cc1cccc(n1)CONC(=O)c1cn2c(n1)CCC2	EMOLS-id_258022940,MCULE-4936523979	272.302	KQNYDZOWLAZFOU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038273
Cc1cccc(n1)CONC(=O)c1cnc2n1CCC2	MCULE-1243669752,EMOLS-id_320294434	272.302	QLMGMKBVGBOVKY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038274
Cc1cccc(n1)CONC(=O)c1cnn2c1CCC2	EMOLS-id_258022949,MCULE-8706895902	272.302	LILUCEVCKJCLNA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038275
Cc1cccc(n1)CONC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316489185	272.302	FMRZJLJMBJXHCD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038276
CC1CC(=O)N(C1=O)C(c1cnc2n1nc(c2=C)C)C	SCHEMBL13741110,PC-id_57604361	272.302	FEHRFTXFDPWJIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038277
Cc1ncccc1C(=O)N1Cc2cnn(CCO)c2C1	EMOLS-id_36604016,ZINC22_67851746,MCULE-3367778256,PC-id_56754764	272.302	QCIRVSQTCYSUPO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038278
COc1ccc(cn1)CCC(=O)N1CCn2c1ncc2	EMOLS-id_319475447	272.302	NBVNDVUCXXQKOF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038301
Cc1nc(O)cc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319732820	272.302	NOIMUMRTBDXRET-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038279
Cc1nc(O)cc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318862395	272.302	WCNSUAPZTVZWFY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038280
Cc1nnc2n1CC[C@]2(C)C(=O)NOc1ccccc1	ZINC22_2325799347	272.302	PNNKJUUCZVWRLH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038281
Cc1nnc2n1CC[C@@]2(C)C(=O)NOc1ccccc1	ZINC22_2325799348	272.302	PNNKJUUCZVWRLH-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038282
CCc1ccc(c(c1)NC(=O)C1NCc2c1c[nH]n2)O	MCULE-4629521374,EMOLS-id_320146567	272.302	KUKUYBSOMJYCEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038283
CCCc1cc(cc(=O)[nH]1)C(=O)N1CCn2c1ncc2	EMOLS-id_319180828	272.302	VRCAVKBNITUYMD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038284
C[C@H](ONC(=O)[C@H]1CCc2c[nH]nc12)c1ccncc1	ZINC22_1875298160	272.302	PQWOJIOVOAQJJB-CABZTGNLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038285
C[C@H](ONC(=O)[C@@H]1CCc2c[nH]nc12)c1ccncc1	ZINC22_1875298161	272.302	PQWOJIOVOAQJJB-JOYOIKCWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038286
CCN(c1ncccc1C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99804380	272.302	QLTJZOZIKLKCHY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038287
CC(=O)Nc1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_319840823	272.302	ABCIYRQVHKCGOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038288
CNC(=O)c1ccccc1OCc1nnc2n1CCC2	EMOLS-id_318981190	272.302	HZMLZJBFMYHMSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038289
CN(C(=O)c1nn2c(c1)OCC2)[C@@H](c1cccnc1)C	EMOLS-id_318910430	272.302	HLJJUDXDZJGOFE-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038290
CN(C(=O)c1nn2c(c1)OCC2)[C@H](c1cccnc1)C	MCULE-9556385906,EMOLS-id_320066676	272.302	HLJJUDXDZJGOFE-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-038291
COc1cccc(c1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320046431,MCULE-1508485868	272.302	CGVIYMRSCUEINX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038292
COc1ccc(cc1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320050220,MCULE-8258275121	272.302	LKJXBBVKMZILCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038293
COc1cccc(c1C)NC(=O)N1CCn2c1ncc2	EMOLS-id_320224659,MCULE-3395160095	272.302	IMEKDTAIUZXVOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038294
COc1ccc(c(c1)C)NC(=O)N1CCn2c1ncc2	MCULE-1932839050,EMOLS-id_320230692	272.302	DGLKCXRHDJZZNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038295
COc1ccc(c(c1)NC(=O)c1n[nH]c2c1CCC2)N	PC-id_119420638	272.302	IUJCLDPGFWRZMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038296
COc1ccc(cc1NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319646930	272.302	UVEMWDAZBRHKEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038297
COc1cccc(c1NC(=O)N1CCn2c1ncc2)C	MCULE-8638177283,EMOLS-id_319999202	272.302	AWXASHWAEHSNIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038298
COc1cccc(C)c1C(=O)N=c1[nH][nH]c2c1CNC2	ZINC22_1875276630	272.302	JZZHPYFGDQPUDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038299
COc1ccc(cn1)CCC(=O)N1CCn2c1ccn2	EMOLS-id_278167844	272.302	OBQSPCURQMXLAZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038300
COc1cccc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319243999	272.302	NLBNQIABLZCJRH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038302
COc1ccc(cn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319556994	272.302	DBOOCQANRLZZLT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038303
COc1ccc(cn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320171423,MCULE-8677615772	272.302	VETMOKPFBOOFTB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038304
COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_16689453,CoCoCo_4491038,PC-id_17503992,MCULE-7261007897,ZINC22_12750772	272.302	DMGKUTKKFUYMMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038305
COc1cccnc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319898804,MCULE-1218260751	272.302	UIHJBCNANNLLDY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038306
COc1ccncc1CNC(=O)c1cn2c(n1)CCC2	MCULE-9408413365,EMOLS-id_316911015,ZINC22_583323690	272.302	ZSFGHZKPWCPLOO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038307
COc1ccnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318897690	272.302	MDBWSTXSGQKNMC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038308
COc1cncc(c1C)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316410774,MCULE-5666327575	272.302	AFPWOGWLYBPYEI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038309
COc1cncc(c1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_316647161	272.302	JTQOVJYCMHSNGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038310
COc1cncc(c1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_316664312	272.302	DJWRMNVQIBJYDO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038311
COc1nccc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-2018513229,EMOLS-id_319901420	272.302	GARDMWTYKLDBPU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038312
COCc1cccc(c1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319446514	272.302	MXVURDKEDBODKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038313
COC(=O)c1cc(ccc1N)Cc1nnc2n1CCC2	PC-id_103586458	272.302	UOLUUAOPYIWGSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038314
N#CC1(CCC1)N(C(=O)c1nn2c(c1)OCC2)C1CC1	EMOLS-id_99799250	272.302	FCSWSGISJTUOIT-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-038315
NC(=O)Cc1cccc(c1)OCc1nnc2n1CCC2	EMOLS-id_319916118,MCULE-6958900621	272.302	WVHASCKWFBKPEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038316
Oc1ccc(c(c1)C(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_319317134	272.302	YGYOPHQEJSGYQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038317
O=c1ccn(c(=O)n1Cc1cc2n(n1)CCC2)C1CC1	EMOLS-id_319826886,MCULE-3361292786	272.302	CUPOANMXQXZPGY-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-038318
OCc1ccccc1CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318804774	272.302	SCSCYCSVXBPEKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038319
OCc1cccc(c1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319401598	272.302	FKCSYTFQXDVDPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038320
OCc1ccc(cn1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319604022	272.302	BIMCZXPDVRFWSA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038321
OCc1ccc(cn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319433640	272.302	XUUYHJFJAJOQCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038322
OCc1ccc(cn1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319148954	272.302	XZHBJXOPMFWLJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038323
OCc1ccc(cn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318869887	272.302	HFYVBSMLKYVKBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038324
O=C(c1c(C)cc([nH]c1=O)C)NC1CCn2c1ncc2	MCULE-2312955378,EMOLS-id_319847581	272.302	HYFYCPIHCWTFPE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038325
O=C(c1cccc(=O)n1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318838747	272.302	MWXJNVYFJBFQHC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038326
O=C(c1cccn(c1=O)C)NCc1cnc2n1CCC2	EMOLS-id_319017158	272.302	GOTJIUDMPNFXMV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038327
O=C(c1cccn(c1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320029756,MCULE-2187738310	272.302	HBVHTLJGDGMREW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038328
O=C(c1ccc([nH]c1=O)C)NCc1cnc2n1CCC2	MCULE-3094333977,EMOLS-id_319985525	272.302	MRCLVMUXKQLPDW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038329
O=C(c1ccc([nH]c1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319274437	272.302	OXSFNPFRHYJDTR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038330
O=C(c1ccc(=O)n(c1)C)NCc1cnc2n1CCC2	EMOLS-id_319611435	272.302	UVDIIYKZBVKMPT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038331
O=C(c1ccn(c(=O)c1)C)NCc1cnc2n1CCC2	EMOLS-id_317939135,MCULE-5311449751	272.302	NRRPVHSZPRHWJX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038332
O=C(c1cnc2n1CCC2)N1CCC(C1)c1nocc1	EMOLS-id_319391397	272.302	UDBRLUIIANWPRL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038333
O=C(c1cnc2n1CCC2)N1CCC[C@@H]1c1nocc1	EMOLS-id_319994764,MCULE-4794263430	272.302	AVSICUGAFCLYRH-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038334
O=C(c1cncc(c1O)C)NC1CC(n2c1ncc2)C	EMOLS-id_101556341	272.302	JWCDOKHGBCQRQH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038335
O=C(c1cnc(o1)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_319378737	272.302	OSKVEZPVNWSWQW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038336
O=C(c1cnc(o1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318945077	272.302	CPVQWTDVWARIRP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038337
O=C(c1c[nH]c(cc1=O)C)Nc1n(C)nc2c1CCC2	EMOLS-id_99901149	272.302	UKHSLOGJENIQMZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038338
O=C(c1c[nH]c(cc1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319296509	272.302	MQRPEWDOTQVPQQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038339
O=C(c1cnn2c1CCC2)N1CCC(C1)c1nocc1	EMOLS-id_318768102	272.302	YETUTTRALQHKLQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038340
O=C(c1cnn2c1CCC2)N1CCC[C@@H]1c1nocc1	MCULE-1434944539,EMOLS-id_319924456	272.302	NBUWOXPDJXBCPQ-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038341
O=C(c1cnn2c1CCC2)NCc1cc(C)[nH]c(=O)c1	MCULE-2998723332,EMOLS-id_320094893	272.302	UHIUOKKHVFIFEZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038342
O=C(c1coc(n1)C1CC1)NCc1cnc2n1CCC2	MCULE-7071900265,EMOLS-id_320075935	272.302	GLXOSIJJRDSWOF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038343
O=C(c1coc(n1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319711338	272.302	YQIVASFCAQLTIN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038344
s1c2c(CCC2)cc1C(NCCC)c1sccc1	PC-id_43495886	277.448	PQGUJGYMKAXCEV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042353
O=C(c1conc1C1CC1)NCc1cnc2n1CCC2	EMOLS-id_320184119,MCULE-2948465892	272.302	MGCMIJUIYWVNMG-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038345
OCc1nccc(c1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_320153621,MCULE-3938585762	272.302	JKBHNDARHDVYEQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038346
OCc1nccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319420544	272.302	VHAMIXPGXIZFJY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038347
O=C(c1[nH]c2c(c1)CCC2)NCCn1cccnc1=O	EMOLS-id_320138104,MCULE-2255997499	272.302	AVKIWPLMUDMKCN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038348
O=C(c1nn2c(c1)CCC2)N1CCC(C1)c1nocc1	EMOLS-id_319063716	272.302	LDKRNXZFPQMKOZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038349
O=C(c1nn2c(c1)OCC2)NCCCc1cccnc1	EMOLS-id_318886762	272.302	OPOCEGKWDXBJER-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038350
O=C(c1n[nH]c2c1CCC2)Nc1c(C)noc1C1CC1	EMOLS-id_99406608	272.302	QGJSQPCISZEZDO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038351
O=C(c1n[nH]c2c1CCC2)NCc1cc(C)[nH]c(=O)c1	EMOLS-id_278934452	272.302	WMKBRNICGICEAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038352
O=C(c1noc(c1)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_318832184	272.302	FUVXEHDNQDINPI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038353
O=C(c1occ2c1CCC2)N1CC(C1)c1n[nH]c(n1)C	EMOLS-id_318929725	272.302	RKJXJTPZQUYWHS-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-038354
O=C(c1occ2c1CCC2)N1CCC[C@H]1c1ncn[nH]1	EMOLS-id_320152286,MCULE-9045836132	272.302	JAFPIYNQENXHSA-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-038355
O=C(c1ocnc1C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319211287	272.302	TUPYUYSRDNXMAE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038356
O=C(c1onc(c1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320179246,MCULE-9218387913	272.302	PGKVDUIHSZWBRN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038357
OCC(c1ccccn1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319982884,MCULE-9900635623	272.302	ZYDHPMUDWXLIST-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038358
OCC(c1ccccn1)NC(=O)c1cnn2c1CCC2	EMOLS-id_258087808,MCULE-1784853621	272.302	JDEDWQZQHUDZHC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038359
O=C(Cc1ccc(cn1)O)NCc1cc2n(n1)CCC2	EMOLS-id_319907406,MCULE-9080271067	272.302	ORLUCADSXYPBOS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038360
O=C(Cc1ccc(cn1)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319084774	272.302	IDRISIHVCLCPIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038361
OCC(c1cccnc1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_320026251,MCULE-7890745102	272.302	SUZKOCNEFKAJFH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038362
OCC(c1cccnc1)NC(=O)c1cnn2c1CCC2	EMOLS-id_278930037	272.302	YZXYPPQWERULSA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038363
O=C(Cc1cncc(c1)O)NCc1cnc2n1CCC2	EMOLS-id_319802368	272.302	VJLSZKGDEKUAMW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038364
O=C(N1CCC[C@H]1c1nocc1)c1cn2c(n1)CCC2	EMOLS-id_319264227	272.302	IXNAYVNDHDQVEJ-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038365
O=C(N1CCC[C@H]1c1nocc1)c1nn2c(c1)CCC2	EMOLS-id_318928849	272.302	YSDQOQWGOZSSNP-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038366
O=C(NCc1cnc2n1CCC2)COc1cccnc1	EMOLS-id_319931541,MCULE-3255993537	272.302	FESWEYAFPFRIEL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038367
O=C(NCc1n2CCCc2nn1)c1c(OC)cccc1	PC-id_52024791	272.302	UMRSGIOEWSKWOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038368
O=C(NCc1n2CCCc2nn1)Cc1ccc(O)cc1	PC-id_52024782	272.302	HVZHRUDMCBFDAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038369
O(C(=O)N1Cc2c(nn(c2N)C)C1)Cc1ccccc1	PC-id_71647970	272.302	WWKQNUHHXINIPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038370
O(C(=O)N(Cc1n2CCCc2nn1)C)c1ccccc1	PC-id_60713826	272.302	RVESSUNZVSXSOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038371
O(C(=O)NC(c1n2CCCc2nn1)C)c1ccccc1	PC-id_62071093	272.302	AAYBGLRLFYWWAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038372
c1(C(=O)NCc2nnc3CCCn23)c2CCCc2n[nH]1	PC-id_119074913,EMOLS-id_82743661,ZINC22_298571055,MCULE-3154939466	272.306	GAFCSOKZZUKXCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038373
c1(C(=O)NCCNc2ncccn2)c2CCCc2[nH]n1	EMOLS-id_323256756,MCULE-3040301449	272.306	JMSPTOOJFUWNML-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038374
Cc1cnc(C(=O)N(C)Cc2nnc3n2CCC3)cn1	MCULE-8339524426,EMOLS-id_35706520,PC-id_53499955,ZINC22_65393169	272.306	KRUROVIPSHGFQF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038375
Cc1nccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319378024	272.306	PUFUYIKXXDNELL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038376
Cc1ncc(c(n1)N)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319602172	272.306	KOERJBVGTPLXIS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038377
Cc1nccnc1C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_667026730	272.306	SQXDFPZETDKUOL-SECBINFHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038378
Cc1nccnc1C(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC22_667026731	272.306	SQXDFPZETDKUOL-VIFPVBQESA-N	00000010100000100001000010000000000000000000000000000000	25-01-038379
Cc1[nH]nc(n1)C1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319567547	272.306	BFEBRJJQKPCZQT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-038380
Cc1nnccc1C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_1772902180	272.306	GMSUPSUUSQPCDW-SECBINFHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038381
Cc1nnccc1C(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC22_1772902181	272.306	GMSUPSUUSQPCDW-VIFPVBQESA-N	00000010100000100001000010000000000000000000000000000000	25-01-038382
CCc1nc(N)ncc1C(=O)NC1CCn2c1cnc2	EMOLS-id_318899631	272.306	LHAJROCBSMHWRM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038383
CC(c1nnc2n1CCC2)NC(=O)c1ccnnc1C	EMOLS-id_323959795,MCULE-8692274061,PC-id_145885278	272.306	GMSUPSUUSQPCDW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038384
CC(c1nnc2n1CCC2)NC(=O)c1ncccc1N	PC-id_104741154	272.306	BETSLEGLZUOXHC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038385
CC(c1nnc2n1CCC2)NC(=O)c1nccnc1C	PC-id_145907115,MCULE-4136415212,EMOLS-id_324030583	272.306	SQXDFPZETDKUOL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038386
C=CCn1nnc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320314497,MCULE-4236380394	272.306	UCMBQRNNBKLFAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038387
CC(Nc1nnccc1C(=O)N1CCn2c1ccn2)C	EMOLS-id_319753439	272.306	BJLDUTAKLHCFTI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038388
C/N=C
/C=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=C1)N	SCHEMBL13964028	272.306	RDAHGEQJELRMEG-PBEWAIJRSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038389
CN(C(=O)c1ncccc1N)Cc1nnc2n1CCC2	PC-id_104741711	272.306	FLFRWHGDSKRBNO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038390
O=C1c2ncnn2C(C1=Cc1nnn(c1)C(C)(C)C)C	EMOLS-id_316553002	272.306	BDZQEKZYICLITG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038391
O=C(c1cnn2c1CCC2)NCCNc1cccnn1	EMOLS-id_318920425	272.306	VUBLZOLXKGZNQW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038392
O=C(c1cnn2c1CCC2)NCCNc1ncccn1	MCULE-1611288258,EMOLS-id_320157434	272.306	ZELLQQQBFIVJKS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038393
O=C(C1NCc2c1c[nH]n2)Nc1ccc(cn1)N(C)C	EMOLS-id_319654742	272.306	ZIXCCCOEPCVHNL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038394
O=C(C1NCc2c1c[nH]n2)Nc1ccnn1CC1CC1	EMOLS-id_319914199,MCULE-1099188738	272.306	HQNUKMKTPOZPGN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038395
O=C(C1NCc2c1c[nH]n2)Nc1cncc(c1)N(C)C	EMOLS-id_319633138	272.306	DIECPMBANHETMU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038396
O=C(c1[nH]nc(c1)C1CC1)NCc1nnc2n1CCC2	CoCoCo_4746455,PC-id_45809034,EMOLS-id_31885745,MCULE-4734888521,CoCoCo_4746454	272.306	CMFRQVOMZGRNCB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038397
O=C(c1nn2c(c1)CCC2)NCCNc1cccnn1	EMOLS-id_319642438	272.306	DPHKOCNXRCWODV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038398
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1n[nH]cn1	EMOLS-id_319927258,MCULE-7862550135	272.306	PWNFVAZCFPLMTH-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038399
O=C(N1CCC[C@@H]1c1n[nH]cn1)c1cn2c(n1)CCC2	MCULE-6983571161,EMOLS-id_319886202	272.306	QSAVFELAEXERSY-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038400
O=C(N1CCC[C@@H]1c1n[nH]cn1)c1nn2c(c1)CCC2	EMOLS-id_319192695	272.306	RZEZOZUWPSVZQT-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038401
O=C(N1CCn2c1ncc2)Nc1cncc(c1)N(C)C	EMOLS-id_316730791	272.306	QMYBLBQUCDTTDZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038402
O=C(N1CCn2c1ncc2)Nc1nn(c(c1)C1CC1)C	EMOLS-id_319911093,MCULE-8809841087	272.306	GNPYLHUNERMXTR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038403
O=C(N=c1cc2n([nH]1)CCC2)c1cn(CC2CC2)nn1	ZINC22_1875274487,MCULE-6746949299,PC-id_146105899,EMOLS-id_324064878	272.306	CKFXCWHAPRNDPB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038404
O=C(NC1CC(n2c1ncc2)C)Nc1cnc(nc1)C	EMOLS-id_101372389	272.306	SUVDBYPPVZDOKU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038405
O=C(NC1CC(n2c1ncc2)C)Nc1nccc(n1)C	MCULE-3641009568,EMOLS-id_319914369	272.306	KWTGFRVARQZQSN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038406
O=C(N(Cc1n2CCCc2nn1)C)c1ncc(N)cc1	PC-id_81316028	272.306	DFVBVRUQBOTTCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038407
O=C(NC(c1n2CCCc2nn1)C)c1ncc(N)cc1	PC-id_81692485	272.306	XPXKATGNCRLQEZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038408
CCCCCCc1csc2c1C(=O)C(C2=O)(F)F	PC-id_139254637	272.311	WKSHILSKIUEYRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038409
CC1CCc2c1c(C=O)nn2Cc1ccc(C)cc1F	EMOLS-id_330999039,MCULE-1705856028	272.317	AJAVPQRMAXCQRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038410
CC1CCc2c1c(C=O)nn2Cc1cc(C)ccc1F	EMOLS-id_331001343,MCULE-2434868111	272.317	GGXLDBXYHGGMEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038411
CC1CCc2c1c(C=O)nn2Cc1cccc(C)c1F	MCULE-8919086302,EMOLS-id_331001599	272.317	CPUKHYBOCLNGAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038412
CC1CCc2c1c(C=O)nn2Cc1ccc(C)c(F)c1	MCULE-8027456938,EMOLS-id_330998783	272.317	VUOKRJUIJRYVOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038413
CC1CCc2c1c(C=O)nn2Cc1cccc(F)c1C	EMOLS-id_331003888,MCULE-1910977157	272.317	BOHGALLLSIKZJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038414
CC1CCc2c1c(C=O)nn2Cc1ccc(F)cc1C	MCULE-7624820063,EMOLS-id_330999551	272.317	LIDHGDVHOJRTGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038415
CC1CCc2c1c(C=O)nn2Cc1ccc(F)c(C)c1	MCULE-3749285065,EMOLS-id_330999295	272.317	SXVBGZBEXWNOBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038416
CC1CCc2c1c(C=O)nn2Cc1cc(F)ccc1C	MCULE-4371520429,EMOLS-id_331004144	272.317	IIGRGBTVGYIDPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038417
CC1CCc2nn(Cc3cc(C)ccc3F)c(C=O)c12	EMOLS-id_330985146,MCULE-6322260922	272.317	IXABXHMGQQIGNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038418
CC1CCc2nn(Cc3cccc(C)c3F)c(C=O)c12	MCULE-7037846624,EMOLS-id_330985402	272.317	YTPBTSNZGNQGEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038419
CC1CCc2nn(Cc3ccc(C)cc3F)c(C=O)c12	MCULE-9182749102,EMOLS-id_330982842	272.317	JBDWHBNETNWKAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038420
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(C=O)c12	EMOLS-id_330982586,MCULE-9692794953	272.317	XERYLPSQFOQQOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038421
CC1CCc2nn(Cc3cccc(F)c3C)c(C=O)c12	MCULE-3107719085,EMOLS-id_330983611	272.317	DZXLPYNDGWBOED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038422
CC1CCc2nn(Cc3ccc(F)cc3C)c(C=O)c12	MCULE-1182773421,EMOLS-id_330983354	272.317	NNUGMMZLRJUTBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038423
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(C=O)c12	MCULE-4468466712,EMOLS-id_330983098	272.317	WFDQDZWTDVMVMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038424
CC1CCc2nn(Cc3cc(F)ccc3C)c(C=O)c12	EMOLS-id_330983867,MCULE-3849311050	272.317	ZVZIBVJTLIKZAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038425
CC(c1ccccc1F)n1nc2CCC(C)c2c1C=O	MCULE-3709560887,EMOLS-id_330988215	272.317	GHQVHRRKORABEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038426
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987445,MCULE-3515793838	272.317	NMSHQBBEYFUKSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038427
S1(=O)(=O)Cc2c(oc(C(C)(C)C)c2CC(=O)O)C1	PC-id_84809837	272.317	NBMPLBWMRLFYMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038428
COc1ccccc1C(=O)C1Cc2c(C1=O)ccs2	PC-id_86699219,SCHEMBL15312418	272.319	OIAPNVSRIXXQKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038429
OC(=O)C1CCc2c1scc2C(=O)c1ccccc1	PC-id_139647570	272.319	SITQOKMREXGCLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038430
s1c(c2CCC(c2c1)C(=O)O)C(=O)c1ccccc1	PC-id_10445932	272.319	DYKIWBKAXRILJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038431
CC1CC(c2n1ncn2)NC1(CC1)c1ccc(cc1)F	MCULE-2454811623,EMOLS-id_318659634	272.321	DORYOCIHAXZAMS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-038432
Fc1cccc(c1)C1(CC1)NC1CC(n2c1ncn2)C	MCULE-3574025778,EMOLS-id_318555579	272.321	NOCIXBRJMYKMIR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-038433
Fc1ccccc1C1(CC1)NC1CC(n2c1ncn2)C	MCULE-8933995726,EMOLS-id_318502126	272.321	VLQFNCUGPAUITO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-038434
Fc1ccccc1[C@@H]1C[C@H]1NC1CC(n2c1ncn2)C	EMOLS-id_318556192,MCULE-4483288754	272.321	CPQCVAWVTSGOAO-AVZFOTGYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-038435
c1(NC(=O)c2ccc(C)o2)sc2c(CCC2)c1C#N	TIMTEC328601,ZINC22_2872823,EMOLS-id_2043442,SCHEMBL15281320,MCULE-5722185560,PC-id_2225468,CoCoCo_543284,ChEMBL-DNDi_CHEMBL7948702	272.322	NEBZHAVSYCFQGG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-038436
c1(NC(=O)c2ccoc2C)sc2c(CCC2)c1C#N	TIMTEC512293,EMOLS-id_13109192,MCULE-3227027066,ZINC22_13327638,CoCoCo_1073146,PC-id_17173293	272.322	VVDLQYZQELTBFI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-038437
CCOc1ccc(cc1)/C=c
/sc2n(c1=O)ccn2	SPECS-id_AT-225/NB53620	272.322	PUKUFDDJMHMJRZ-FMIVXFBMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038438
s1c2C(=O)N(C(c3ccccc3)C)C(=O)c2nc1C	PC-id_85635040	272.322	BZJSUNDCYTXSEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038439
S1Cc2c(noc2NC(=O)/C=C/c2ccccc2)C1	PC-id_45505358	272.322	HYNBKUIWARUAFL-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038440
S1Cc2c(noc2NC(=O)C=Cc2ccccc2)C1	PC-id_71961112	272.322	HYNBKUIWARUAFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038441
CCCC(S(=O)(=O)N)C(=O)N1CCn2c1ncc2	EMOLS-id_316580559	272.324	UFZDDLNQIGXPED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038442
C[C@@H](C(=O)NCc1nnc2n1CCC2)S(=O)(=O)C	PC-id_94166439,ZINC22_48124325	272.324	NHCGYWXWULJTMF-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038443
C[C@H](C(=O)NCc1nnc2n1CCC2)S(=O)(=O)C	PC-id_94166440,ZINC22_48124329	272.324	NHCGYWXWULJTMF-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038444
CCS(=O)(=O)NC(C(=O)N1CCn2c1ncc2)C	EMOLS-id_319247724	272.324	HPQYEZBXROQOBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038445
Cn1ncc2c1CN(C2)S(=O)(=O)N1CCOCC1	EMOLS-id_318369659	272.324	SWWGZQFMMDDKQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038446
CNS(=O)(=O)CC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_111816043	272.324	VKAOSRUOECRNRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038447
O=C(C(C)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2919532,PC-id_68440977	272.324	BSXAJILYKHJTCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038448
O=C(C(S(=O)(=O)C)C)NCc1nnc2n1CCC2	EMOLS-id_45752679,PC-id_71895025,MCULE-6589579319	272.324	NHCGYWXWULJTMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038449
O=C(N1CCn2c1ncc2)CCS(=O)(=O)N(C)C	EMOLS-id_316582863	272.324	IRPXZSCBOXZZSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038450
O=S(=O)(N1CCn2c1ncc2)N1CCOCCC1	EMOLS-id_317982528	272.324	NXQISVYINWWSRE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-038451
c1(C(=O)Nc2sc3CCCc3c2C#N)cc(C)[nH]n1	MCULE-8745487930,EMOLS-id_327991543	272.326	PWIWVKFIUUPABM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038452
c1(NC(=O)c2ccn(C)n2)sc2c(CCC2)c1C#N	MCULE-7607957943,PC-id_698783,ZINC22_76431,STOCK3S-07519,EMOLS-id_4479018,ChEMBL-DNDi_CHEMBL1511155,CHEMBL1511155	272.326	QOXBAHYRWRPWLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038453
S1CCn2c1nnc2NC(=O)C=Cc1ccccc1	PC-id_74908284	272.326	WFGVNDPEMWUKLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038476
c1(NC(=O)c2ccnn2C)sc2c(CCC2)c1C#N	EMOLS-id_1412322,CHEMBL4553643,CoCoCo_273931,TIMTEC564465,MCULE-5156566050,ZINC22_78646,PC-id_699656	272.326	YBLUMEBUXOODKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038454
Cc1cc(C)cc(N/C=c/2sc3ncnn3c2=O)c1	ZINC22_256055567,PC-id_117588277	272.326	LQJVJSDBLOTDJL-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038455
CCN(/C=c/1sc2ncnn2c1=O)c1ccccc1	ZINC22_256055552,PC-id_117588285	272.326	KZCSZRUDFYVNDQ-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038456
CN(C)c1ccc(/C=c/2sc3ncnn3c2=O)cc1	ChEMBL-DNDi_CHEMBL5629-0482,ZINC22_13017203,EMOLS-id_3515611	272.326	UMLPWDJUCCFABO-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038457
CN(C)c1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_208303	272.326	UMLPWDJUCCFABO-YRNVUSSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038458
CN(C)c1ccc(/C=c/2sc3nncn3c2=O)cc1	MCULE-2526222490,ZINC22_12414038,EMOLS-id_6769318	272.326	KYQFCTZOYUNKMC-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038459
n12cnnc1sc(=Cc1ccc(cc1)N(C)C)c2=O	MCULE-3355696222	272.326	KYQFCTZOYUNKMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038460
n12ncnc1sc(=Cc1ccc(cc1)N(C)C)c2=O	EMOLS-id_300037778,MCULE-9357773968	272.326	UMLPWDJUCCFABO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038461
n12nc(nc1sc(=Cc1cccnc1)c2=O)CCC	MCULE-8090052521	272.326	QTOLDUIQVNGJCX-UHFFFAOYSA-N	00000000100000101001000010000000000000000000000000000000	25-01-038462
n12ncnc1sc(=CNc1cc(C)cc(C)c1)c2=O	MCULE-5552617630	272.326	LQJVJSDBLOTDJL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038463
n12ncnc1sc(=CN(CC)c1ccccc1)c2=O	MCULE-3068849489	272.326	KZCSZRUDFYVNDQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038464
N#Cc1ccc(s1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318929646	272.326	PXXFNCSVOIMUEF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-038465
N#Cc1c(NC(=O)Cn2ccnc2)sc2c1CCC2	MCULE-6906533329,CoCoCo_4424267,ZINC22_9156869,EMOLS-id_11960946,PC-id_17408732	272.326	HNOKOCGQCQTRLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038466
N#Cc1cn(nc1NC(=O)c1sc2c(c1)CCC2)C	PC-id_104593176	272.326	IBZYARMGDHBDSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038467
N#Cc1cnn(c1NC(=O)c1sc2c(c1)CCC2)C	PC-id_112723807	272.326	BSBJDUZVRYOIAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038468
N#Cc1csc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-7950438727,EMOLS-id_320203881	272.326	NPOOGQBAWUXWIU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-038469
N#Cc1cscc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318812110	272.326	JDJOWORZPCDCBE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-038470
N#Cc1scc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318855274	272.326	YCDYVMMMMMAALA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-038471
O=C(c1n[nH]c2c1CCC2)NCCNc1cccc[nH+]1	GD-id_ZINC19402166,PC-id_51590838	272.326	TXEUYCHEQQXUTK-UHFFFAOYSA-O	00000010100000101001000010000000000000000000000000000000	25-01-038472
s1c2CCCc2c(c1NC(=O)c1c([nH]nc1)C)C#N	PC-id_64450494	272.326	XJIUNTZSEDBISB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038473
s1c2CCCc2c(c1NC(=O)c1[nH]cc(N)c1)C#N	PC-id_61117149	272.326	AEDWMKJCZSZQPW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038474
S1CCn2c1nnc2NC(=O)/C=C/c1ccccc1	PC-id_44007646	272.326	WFGVNDPEMWUKLF-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038475
c1csc(n1)c1ccn(n1)Cc1nnc2n1CCC2	EMOLS-id_320162828,MCULE-1051074298	272.329	ZSHUMTFLZHRTRR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038477
c1(C(=O)OC(C)(C)C)c2CSCc2nn1CCF	EMOLS-id_324398939,MCULE-4147006902	272.339	ZDVGGPIWWVZADX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038478
s1c2CCCc2cc1CNc1c(cc(F)cc1)C#N	PC-id_63673448	272.341	KUPVTLOBDKOCFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038479
s1c2CCCc2cc1CNc1c(c(F)ccc1)C#N	PC-id_78978516	272.341	POBWCDOEUDSCFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038480
s1c2CCCc2cc1CNc1c(F)cc(cc1)C#N	PC-id_61208378	272.341	CIGOMYKCWXQNHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038481
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)OCC	MCULE-3232611379,EMOLS-id_331020015	272.342	ADDAZPKYMGVVFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038482
c12C(C)CCc1nn(Cc1ccc(cc1OC)OC)c2	EMOLS-id_330999463,MCULE-8530648107	272.342	ZRMIHASLTRKJMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038483
c12C(C)CCc1nn(Cc1ccc(c(OC)c1)OC)c2	EMOLS-id_330999207,MCULE-9398284260	272.342	XSGITHCWECLWDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038484
CC1(c2c(n(c(c2CN1C)O)Cc1ccccc1)O)C	PC-id_91481037	272.342	OFZJJOVJPXYUTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038485
CCOc1ccccc1Cn1nc2CCC(C)c2c1O	MCULE-2605331103,EMOLS-id_331002286	272.342	ABSJZJNFIRLKRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038486
CCOc1ccccc1Cn1nc(O)c2C(C)CCc12	MCULE-5391913665,EMOLS-id_330960112	272.342	ZNPIEUBXVUMGMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038487
CCOc1ccc(Cn2nc3CCC(C)c3c2O)cc1	MCULE-5981170803,EMOLS-id_331004844	272.342	AAOCVMDVWTXTTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038488
CCOC(=O)c1cnn2c1[C@H](CC2)C(=C)/C=CC=C/C	SCHEMBL20904022,PC-id_138548743	272.342	JLDWWJSXYALVSG-RYEYUMMJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038489
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1O	MCULE-2492416596,EMOLS-id_331006631	272.342	YZXDBDGHHBGMNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038490
COc1ccccc1C(C)n1nc2CCC(C)c2c1O	MCULE-2712770085,EMOLS-id_331007656	272.342	KMSNKISBFXIXGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038491
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1O	MCULE-3624850596,EMOLS-id_331007908	272.342	JAMPFAFJLNCQNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038492
COc1ccccc1Cn1nc2CCC(C)c2c1CO	EMOLS-id_330992819,MCULE-7805463446	272.342	YIVDHLGITXJOPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038493
COc1ccccc1Cn1nc(CO)c2C(C)CCc12	MCULE-5783222391,EMOLS-id_331010040	272.342	SNQSCNUNBLVKNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038494
COc1ccc(cc1OC)C(C)c1n[nH]c2CCCc12	EMOLS-id_337932823	272.342	DSWZAFUHAUUZIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038495
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1O	EMOLS-id_331002542,MCULE-6402473145	272.342	IXRKDLWWBMRGEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038496
COc1ccc(C)cc1Cn1nc(O)c2C(C)CCc12	EMOLS-id_330960368,MCULE-5269967056	272.342	OVAHFLBNTIYZRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038497
COc1ccc(C)c(Cn2nc3CCC(C)c3c2O)c1	MCULE-4422280070,EMOLS-id_331008162	272.342	URTBQGBTHCTYDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038498
COc1ccc(C)c(Cn2nc(O)c3C(C)CCc23)c1	EMOLS-id_330957813,MCULE-4476239396	272.342	VMPBBDKVJGGOMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038499
COc1cccc(Cn2nc3CCC(C)c3c2CO)c1	EMOLS-id_330989746,MCULE-7558552477	272.342	DVYNVTYRESKGOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038500
COc1cccc(Cn2nc3CCC(C)c3c2O)c1C	MCULE-3490378430,EMOLS-id_331007906	272.342	ICIQXQLZNOQJMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038501
COc1cccc(Cn2nc(CO)c3C(C)CCc23)c1	MCULE-4128057727,EMOLS-id_331006967	272.342	FIFWGFPMBVTNDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038502
COc1cccc(Cn2nc(O)c3C(C)CCc23)c1C	MCULE-1678560591,EMOLS-id_330957557	272.342	BAMFPSKQHBIPMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038503
COc1ccc(Cn2nc3CCC(C)c3c2CO)cc1	MCULE-1238967779,EMOLS-id_330988223	272.342	JONJMEKLCIYPKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038504
COc1ccc(Cn2nc3CCC(C)c3c2O)cc1C	MCULE-4419242853,EMOLS-id_331005865	272.342	NQDAPZSFYQSNQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038505
COc1ccc(Cn2ncc3C(C)CCc23)cc1OC	EMOLS-id_331017449,MCULE-5342898777	272.342	DWCOSLKOIJSBQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038506
COc1ccc(Cn2ncc3C(C)CCc23)c(OC)c1	EMOLS-id_331017705,MCULE-5818207209	272.342	AERBQVPDPFOJBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038507
COc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1	MCULE-6418512758,EMOLS-id_331009524	272.342	JDEAFECSXLWZBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038508
COc1ccc(Cn2nc(O)c3C(C)CCc23)cc1C	MCULE-9546740188,EMOLS-id_331021036	272.342	UXDWUCAUTFLEAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038509
COc1cc(Cn2nc3CCC(C)c3c2O)ccc1C	MCULE-5313336278,EMOLS-id_331003308	272.342	ICDKLAQPXABMEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038510
COc1cc(Cn2nc(O)c3C(C)CCc23)ccc1C	EMOLS-id_331018479,MCULE-9426339866	272.342	UQARKUHNLMDFLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038511
COCc1ccccc1Cn1nc2CCC(C)c2c1O	MCULE-3136499925,EMOLS-id_331008418	272.342	POAFZCZEQCTAHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038512
COCc1ccccc1Cn1nc(O)c2C(C)CCc12	EMOLS-id_330958069,MCULE-9879446038	272.342	YVKOCENWXGZOCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038513
N#CCCCCN1C(=O)c2c(S1(O)O)csc2	PC-id_70469706,SCHEMBL10907359	272.344	CKYPZAUUFLMSLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038514
O=C(C1CCS1(=O)=O)Nc1sc2c(n1)CCC2	EMOLS-id_318775532	272.344	LXAPSNNDUQUMKS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-038515
OC(=O)CSCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314509916	272.344	MJMQQVZXXAIONQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038516
CCn1ccc(c1C)C(=O)NCc1cnc2n1CCC2	MCULE-5370146227,EMOLS-id_320077634	272.345	RMCIWHYZVZMATA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038517
CCOc1cc(ccc1C)NC1CC(n2c1ncn2)C	EMOLS-id_319367500	272.345	HBYCIGRUUNYRSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038518
COc1ccc(cc1)CCNC1CC(n2c1ncn2)C	EMOLS-id_319585451	272.345	IMCLIANEUVPYPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038519
COc1cccc(c1)C(NC1CC(n2c1ncn2)C)C	EMOLS-id_318396168,MCULE-1878805397	272.345	OLKZIWDPCDNNTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038520
COc1cc(CNC2CC(n3c2ncn3)C)cc(c1)C	MCULE-9330162235,EMOLS-id_258182913	272.345	XIPZELVFPGNNEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038521
O(c1c(CNC(c2n3CCCc3nn2)C)cccc1)C	PC-id_43433219	272.345	WDNVYOLWKOGELK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038522
Oc1c(CNC(c2n3CCCc3nn2)C)cc(cc1)C	PC-id_63324770	272.345	MRXKTGGKUFOGFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038523
Oc1c(C(NC(c2n3CCCc3nn2)C)C)cccc1	PC-id_43748174	272.345	NDOIKUJSIZDPSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038524
c1(CN(C)Cc2ccc(cc2)OC)nnc2CCCn12	EMOLS-id_337829627,MCULE-8329821590,PC-id_165435056	272.346	GTFNLDDDHFLMLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038525
c1(CN(C)Cc2ccc(nc2)OC)c2CCCc2[nH]n1	EMOLS-id_49898281,MCULE-4548879764,PC-id_77096893,ZINC22_216420946	272.346	LAHUVRHSHNZYGA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038526
c1(C(=O)NCc2cccn2C(C)C)c2CCCc2[nH]n1	MCULE-9453337759,EMOLS-id_323260081	272.346	XSKSGVOJKLNTNY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038527
Cc1ccccc1OCCNC1CC(n2c1ncn2)C	EMOLS-id_316572135	272.346	PJCZHFUMAPYEIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038528
CC1(C)CCCN(C(=O)c2n[nH]c3c2CCC3)[C@H]1C#N	ZINC22_225499985,PC-id_100656799	272.346	KLBLHZDLSXFVDV-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038529
CC1(C)CCCN(C(=O)c2n[nH]c3c2CCC3)[C@@H]1C#N	ZINC22_225500016,PC-id_100656811	272.346	KLBLHZDLSXFVDV-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038530
Cc1cn(c(=O)c(c1)NCc1c2CCCc2nn1C)C	PC-id_136569680	272.346	WJQSQBSCHPEAMZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038531
CCc1ccc(CN2Cc3cnn(CCO)c3C2)nc1	ZINC22_216471791,PC-id_77097538,MCULE-6571907928,EMOLS-id_49899399	272.346	VOLMCBZLPHKMRZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038532
CCc1n(C)ccc1C(=O)NCc1cnc2n1CCC2	MCULE-9956689758,EMOLS-id_320003442	272.346	IEDJFKBXZJMEBG-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038533
CC(c1nnc2n1CCC2)NCc1cccc(c1O)C	PC-id_115951534	272.346	FJYAKHDIOABFEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038534
CCC(c1cccc(n1)OC)NC1CCn2c1ncc2	MCULE-8240184783,EMOLS-id_258184041	272.346	BFZVDPFROQQAGR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038535
CCCc1[nH]ccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320123541,MCULE-6715663462	272.346	NRHUOBUOGKBAGO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038536
CCCc1[nH]ccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319213231	272.346	DFRXXAXCDFZGRA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038537
CCCn1ccc(c1)CNC(=O)c1cn2c(n1)CCC2	MCULE-9339046309,EMOLS-id_258004499	272.346	XDTQOTLGRGGQHU-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038538
CCCn1ccc(c1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_316492485	272.346	LIUWEUHQJAWZIR-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038539
CCn1cccc(c1=O)NCc1c2CCCc2nn1C	PC-id_136569655	272.346	IAXMZSIZECCMDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038540
CC(Oc1ncccc1NCc1cnc2n1CCC2)C	EMOLS-id_317952091	272.346	HITFDOVFICYXEZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038541
COc1nccc(c1)C(NC1CC(n2c1ncc2)C)C	MCULE-9406778896,EMOLS-id_318229987	272.346	KYXRUVDHCQCVFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038542
N#CC1(CCCCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317971788	272.346	MXAKOYOEHNYNSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038543
N#CC1N(CCCC1(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_102794966	272.346	NGUMASPCVNKGRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038544
N#CC1N(CCCC1(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101286282	272.346	IWVMSGVAAALFEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038545
N#CC1N(CCCC1(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_53803445,MCULE-6511459350,PC-id_119039710	272.346	KLBLHZDLSXFVDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-038546
O=c1cc(ccn1Cc1nnc2n1CCC2)C(C)(C)C	EMOLS-id_319112082	272.346	HUOQRSLPYHLRCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038547
O(c1ccc(CNC(c2n3CCCc3nn2)C)cc1)C	PC-id_43433228	272.346	OIVXARZLHVKDJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038548
Oc1ccc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_43748134	272.346	ZJOSIPQVBFFZPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038549
O(c1cc(CNC(c2n3CCCc3nn2)C)ccc1)C	PC-id_43433224	272.346	HTUPPDQODGSDCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038550
Oc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1	PC-id_43748168	272.346	BGQVSBZOZBLUBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038551
OCc1ccc(cc1)CCNC1CC(n2c1ncn2)C	EMOLS-id_316576495	272.346	LMZYGWIUKXQROL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038552
OC(c1ccccc1C)CNC1CC(n2c1ncn2)C	MCULE-7943136874,EMOLS-id_258182301	272.346	AYSWTCJIXYCHHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038553
O=C(c1cccn1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318872204	272.346	JSHFCLGKOHPJRB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038554
O=C(c1cccn1C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319935723,MCULE-6453212153	272.346	PAVPONNYNSUCTE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038555
O=C(c1cc[nH]c1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319982315,MCULE-2276023635	272.346	XSPOKWJLVMUQHE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-038556
O=C(c1[nH]c2c(c1)CCC2)N1CCC(CC1)C1(C)N=N1	EMOLS-id_319802285	272.346	BVLIRVVBAUCSPC-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-038557
OC[C@@H](NC1CC(n2c1ncn2)C)Cc1ccccc1	EMOLS-id_316585698	272.346	FHAPWZUVSYTAMV-QRMWWUJWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038558
CCc1nc(cc(n1)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318155462	272.349	ANYDFYMJWINWIQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038559
CC(c1nccnc1C)NC(c1nnc2n1CCC2)C	PC-id_108425817	272.349	FEALYYJLRYJEQX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038560
CC(c1nnc2n1CCC2)Nc1ccnc(n1)C(C)C	EMOLS-id_49341745,MCULE-9378089478,PC-id_75517707	272.349	BGQMNCBZTVPKKB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038561
CC(c1nnc2n1CCC2)Nc1ncnc(c1)C(C)C	EMOLS-id_318249695,MCULE-9205270977	272.349	XPQVIEKZDUWKSC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038562
CCCc1cnc(C)nc1NCc1nnc2CCCn12	MCULE-3841913956,ZINC22_65434232,EMOLS-id_232800943,PC-id_50971495	272.349	ZRNMYNJEBIXALK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038563
C[C@@H](c1nnc2n1CCC2)Nc1ccnc(n1)C(C)C	PC-id_97802946	272.349	BGQMNCBZTVPKKB-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-038564
C[C@H](c1nnc2n1CCC2)Nc1ccnc(n1)C(C)C	PC-id_97802947	272.349	BGQMNCBZTVPKKB-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038565
CC(n1ncc(c1)NC1CC(n2c1ncn2)C)C1CC1	EMOLS-id_258183774,MCULE-6594021971	272.349	PMKCLJSKZCEOMW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038566
Cn1cnnc1C1CCN(C1)Cc1nn2c(c1)CCC2	EMOLS-id_319849751	272.349	JXORUDZHRARFQL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038567
CN(c1cccnc1CNC1CC(n2c1ncn2)C)C	MCULE-3892701048,EMOLS-id_258183987	272.349	CCECODZDLVWTLD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038568
CN(Cc1nnc2n1CCC2)Cc1c(C)ccnc1N	EMOLS-id_319524629	272.349	FGASCLXDABWRCD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038569
n1(C2CC2)c(CNC(c2n3CCCc3nn2)C)cnc1	PC-id_66163538	272.349	MWRALMSTQIFIIV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038570
NCCc1cc(NCc2n[nH]c3c2CCC3)nc(n1)C	EMOLS-id_36437654,PC-id_56708916,MCULE-8670418541	272.349	NKPCIVXJEFQKJK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038571
CCOc1cccc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_113660224	272.362	DYXMTZQSRNAJPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038572
CCOc1ccccc1C(=O)c1sc2c(c1)CCC2	PC-id_114971174	272.362	MCWZTNLPZCRZCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038573
COc1ccc(c(c1)C)C(=O)c1sc2c(c1)CCC2	PC-id_114965558	272.362	FQOUFPKSKLQJQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038574
s1c2CCCc2cc1C(=O)c1cc(c(OC)cc1)C	PC-id_43463876	272.362	RBRSSAIQPDQHJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038575
s1c2CCCc2cc1C(=O)c1ccc(OCC)cc1	PC-id_43462890	272.362	DSNSQYBYXHSQCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038576
s1c2CCCc2cc1C(=O)c1c(OC)ccc(c1)C	PC-id_43626033	272.362	MVVQBMDQXITPLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038577
s1c2CCCc2cc1C(=O)Cc1ccc(OC)cc1	PC-id_61055287	272.362	OYRAJTFNDLLWFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038578
s1c2CCCc2cc1C(=O)Cc1cc(OC)ccc1	PC-id_61077516	272.362	GCAVUSNBDVOOQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038579
s1c2CCCc2cc1C(=O)Cc1c(OC)cccc1	PC-id_61080266	272.362	DGLVXNZLPKFCBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038580
c1(c2CCCc2sc1N)C(=O)Nc1ccccc1C	CoCoCo_1952324,PC-id_701836,MCULE-2695575291,ZINC22_83255,ChEMBL-DNDi_CHEMBL2501-0808,MS2_ST089224,EMOLS-id_3785086	272.365	OXCUKIHTFVOBAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038581
c1(c2CCCc2sc1N)C(=O)Nc1ccc(cc1)C	ZINC22_127200,EMOLS-id_1280358,CoCoCo_1952333,PC-id_722803,ChEMBL-DNDi_CHEMBL8010-1513,MCULE-6164042223	272.365	WOVAILRJFDVBMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038582
c1(c2CCCc2sc1N)C(=O)Nc1cccc(C)c1	TIMTEC434436,MCULE-6059959955,EMOLS-id_3785080,ZINC22_2573414,PC-id_17385675,CoCoCo_6805076	272.365	RSLOCFCJIUSYJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038583
c1(C(=O)NCc2ccccc2)c2CCCc2sc1N	TIMTEC556010,CoCoCo_6799103,EMOLS-id_3785154,MCULE-1910682689,ZINC22_2558495,PC-id_4511560	272.365	XSBLBHSBKQYFIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038584
c1(NC(=O)Cc2ccc(cc2)C)sc2c(CCC2)n1	MCULE-8394464608,PC-id_3458771,EMOLS-id_323425587	272.365	CGRJAAFXQVAPQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038585
c1(NC(=O)Cc2cccc(C)c2)sc2c(CCC2)n1	EMOLS-id_323422260,MCULE-5805706080	272.365	IQVCRKZYRHGQOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038586
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)n1	PC-id_4111653,MCULE-3102034970,EMOLS-id_323467799	272.365	TZUOOQUDFYKOCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038587
C(=C
/CCCC1)/C(=O)Nc1sc2CCCc2c1C#N	MCULE-3423269589,EMOLS-id_328195937	272.365	SDUDXOFYEBZEMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038588
Cc1ccc(cc1C)C(=O)Nc1nc2CCCc2s1	PC-id_4334782,MCULE-1981721854,CoCoCo_4164071,EMOLS-id_17207089,ZINC22_6438907	272.365	NRBVTRVZOUGXKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038589
Cc1ccc(c(c1)NC(=O)c1sc2c(c1)CCC2)N	PC-id_112557437	272.365	PXTXMCVZZOWINV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038590
Cc1cc(C)cc(C(=O)Nc2nc3c(s2)CCC3)c1	CoCoCo_4164061,ZINC22_12912930,PC-id_25598705	272.365	VQPZFIHVIYUUBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038591
Cc1ccc(c(n1)C)C(=O)NC1Cc2c(C1)ccs2	PC-id_21955875,SCHEMBL2459809	272.365	SVFAPCDRZYGYCS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038592
Cc1ccc(CNC(=O)c2cc3c(s2)CCC3)cn1	MCULE-6925431113,ZINC22_40541903,EMOLS-id_31988436,PC-id_45828252,CoCoCo_4922571	272.365	GKZMKMGDFQDRPZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038593
CCc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	MCULE-7053974499,CoCoCo_4164065,EMOLS-id_24128610,ZINC22_12859151,PC-id_25557970	272.365	NNWOHFFZBPNCRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038594
C=CCc1cc2c(p1CCCCC)C=C(C2)CC=C	SCHEMBL7676931	272.365	BBDKUHGAJVFCQJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-038595
C=CCc1cc2c(p1CCCCC)CC(=C2)CC=C	SCHEMBL7678470	272.365	FVKRIMAGMRDBPC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-038596
CC(C)CCC1CCc2nn(c[n+]12)Oc1ccccc1	PC-id_90431855	272.365	RCYAVJAZPKFBBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038597
CC(CC[C@H]1CCc2n1c[n+](n2)Oc1ccccc1)C	SCHEMBL16065913	272.365	RCYAVJAZPKFBBL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038598
CN(Cc1cccnc1)C(=O)c1cc2c(s1)CCC2	EMOLS-id_53746486,ZINC22_49944614,MCULE-3818665632,PC-id_78771149	272.365	PKOGEVLVLKABLY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038599
C(=O)(Nc1sc2CCCc2c1C#N)C=CC1CCC1	MCULE-8923816436	272.365	XOALPWXEZKSUEK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-038600
n1c2CCCc2sc1CCNC(=O)c1ccccc1	MCULE-8429553934,PC-id_110461582,EMOLS-id_181141323	272.365	QTPHEVYXGPDOCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038601
NCc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	MCULE-1509024262,EMOLS-id_302682492,PC-id_120407895	272.365	QEUDLRRYSULVCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038602
O=C(c1sc2c(c1)CCC2)N(Cc1ccncc1)C	PC-id_86929010	272.365	BNBPUFVQHSHKOW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038603
O=C(c1sc2c(c1)CCC2)NCCc1cccnc1	PC-id_45813108,CoCoCo_4829548	272.365	CIQWEWSHJWVMSZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038604
O=C(Nc1sc2CCCc2c1C#N)/C=C/C1CCC1	EMOLS-id_328165824	272.365	XOALPWXEZKSUEK-BQYQJAHWSA-N	00001010100000000000000010000000000000000000000000000000	25-01-038605
O=C(NCCc1ccccn1)c1cc2c(s1)CCC2	EMOLS-id_29598973,ZINC22_21183452,CoCoCo_3868117,PC-id_29352858,MCULE-8832845033	272.365	INHIKLRPIDTHKW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038606
s1c2CCCc2cc1CNC(=O)c1ccc(N)cc1	PC-id_61207948	272.365	PBJYGDYLFABPIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038607
s1c2CCCc2cc1CNC(=O)c1cc(N)ccc1	PC-id_61207754	272.365	WBTHQCVQCSBZFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038608
s1c2CCCc2cc1CNC(=O)c1c(N)cccc1	PC-id_61207570	272.365	WYONIJZUSXPMCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038609
s1c2CCCc2cc1C(=O)Nc1c(cccc1N)C	PC-id_43330031	272.365	BUVDUSURVGSPFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038610
s1c2CCCc2cc1C(=O)Nc1c(ccc(N)c1)C	PC-id_20116418	272.365	HYZGEDBKMGRQIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038611
s1c2CCCc2cc1C(=O)Nc1c(cc(N)cc1)C	PC-id_20115261	272.365	PLEZNIPJXCMONP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038612
s1c2CCCc2cc1C(=O)N(c1ccc(N)cc1)C	PC-id_28894148	272.365	VHFUHWSICZXYBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038613
s1c2CCCc2cc1C(=O)Nc1cc(c(N)cc1)C	PC-id_61710942	272.365	NVELGOAINMVYOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038614
s1c2CCCc2cc1C(=O)Nc1cc(CN)ccc1	PC-id_63254171	272.365	UDFHOXWNDCLUTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038615
s1c2CCCc2cc1C(=O)Nc1c(c(N)ccc1)C	PC-id_20116720	272.365	TWGXBTASQQFYQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038616
s1c2CCCc2cc1C(=O)Nc1cc(N)c(cc1)C	PC-id_24698781	272.365	PHQWTNDIWMMBHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038617
s1c2CCCc2cc1C(=O)N(c1cc(N)ccc1)C	PC-id_61295821	272.365	NTDGAROTTURGNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038618
s1c2CCCc2cc1C(=O)Nc1c(CN)cccc1	PC-id_64894283	272.365	DOMFPRYWXHPHAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038619
s1c2CCCc2cc1C(=O)Nc1c(N)cc(cc1)C	PC-id_43259060	272.365	YKDKZEYYMOJGIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038620
s1c2CCCc2cc1C(=O)N(c1c(N)cccc1)C	PC-id_61996285	272.365	MJSMURNGIYQATO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038621
s1c2CCCc2cc1C(=O)NCc1ccc(N)cc1	PC-id_60891059	272.365	YITIASSEGNMJHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038622
s1c2CCCc2cc1C(=O)NC(c1ccncc1)C	PC-id_78775817	272.365	VYEZTJMYCKAHTL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038623
s1c2CCCc2cc1C(=O)NCc1cc(N)ccc1	PC-id_62499941	272.365	CLGPHGPMGJIJMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038624
s1c2CCCc2cc1C(=O)NCc1c(N)cccc1	PC-id_61997453	272.365	HFQCYOJYCOQYSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038625
s1c2CCCc2cc1C(=O)NN(c1ccccc1)C	PC-id_9479794	272.365	XAOYFRZTCAWXHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038626
s1c2CCCc2nc1NC(=O)c1c(cc(cc1)C)C	PC-id_3453319	272.365	LGTHSDPMZIOEGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038627
s1c2CCCc2nc1NC(=O)c1c(ccc(c1)C)C	PC-id_4107614	272.365	AZHVMHXEDHAFKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038628
s1c2CCCc2nc1NC(=O)Cc1c(cccc1)C	PC-id_33039957	272.365	LDDITMIDXKAMOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038629
s1c(NC(=O)C2CC3C(C3)C2)c(c2c1CCC2)C#N	PC-id_80472532	272.365	PYADDIKBAKJNRS-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-038630
S=C(Nc1ccccc1)CCc1onc2c1CCC2	PC-id_142903024	272.365	CTTNQDXSTVQFQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038631
CCCCN(S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_316656686	272.367	JTRBDQWZRNOGNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038632
CCCNCCNS(=O)(=O)c1cnc2n1CCC2	PC-id_120875999	272.367	PLPCGUVCDRYWAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038633
CCN[C@@H](CNS(=O)(=O)c1cnc2n1CCC2)C	MCULE-5663992498,PC-id_120875836,EMOLS-id_302899629	272.367	JYNQAZRAENXSSV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038634
CC(N(S(=O)(=O)NCc1n[nH]c2c1CCC2)C)C	MCULE-4428063545,EMOLS-id_320108748	272.367	ZVZRWCQHIUOBTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038635
CCS(=O)(=O)N1Cc2c(C1)n(nc2CN(C)C)C	PC-id_97413563	272.367	LFNGBMOEWAYNMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038636
S(=O)(=O)(CC(NC(c1n2CCCc2nn1)C)C)C	PC-id_64630966	272.367	BLHJHBTWHXTCGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038637
s1c2c(CCC2)cc1CNc1n(nc(c1C#N)C)C	PC-id_63758370	272.369	SSLQJLCXQXGEEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038638
O=C(c1sc2c(c1)CCC2)CCCS(=O)(=O)C	PC-id_114965142	272.384	PHCLPPWDAOATGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038639
Cc1sc2c(n1)CN(C2)S(=O)(=O)[C@]1(C)C[C@H]1C	EMOLS-id_319763590	272.387	RGFJOHJGMRGXDB-RDDDGLTNSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038640
CSCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288827,EMOLS-id_315826145	272.387	WBZUZEQPKRXJIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038641
CSCCN(c1nc2c(s1)CCC2C(=O)O)C	EMOLS-id_314545929,PC-id_104289243	272.387	FPXUMLIQCAFVMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038642
CSC(CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_116043884	272.387	MCISRVLVRUDXPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038643
CSCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_116091192	272.387	GGTIOWLFQMHYEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038644
c1(C#N)c2CCCc2sc1N=Cc1ccc(C)s1	PC-id_694854,BindingDB-id_77098,ChEMBL-DNDi_CHEMBL1304901,MCULE-7765167177	272.388	ZRPHFROSTQNOPF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-038645
c1(C#N)c2CCCc2sc1/N=C/c1ccc(C)s1	TIMTEC602205,EMOLS-id_26769841,BindingDB_PC-id_9568682,CoCoCo_1940749,SPECS-id_AG-205/36867013,ZINC22_13114172,MCULE-2846094773,PC-id_9568682	272.388	ZRPHFROSTQNOPF-LZYBPNLTSA-N	00000010100100000000000010000000000000000000000000000000	25-01-038646
N#Cc1c(/N=Cc2ccc(s2)C)sc2c1CCC2	CoCoCo_1940750	272.388	ZRPHFROSTQNOPF-PXNMLYILSA-N	00000010100100000000000010000000000000000000000000000000	25-01-038647
N#CC(=C(c1sc2c(c1)CCC2)N)c1cccs1	EMOLS-id_315869207	272.388	SUXBMLJOZUDOLQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-038648
N#C/C(=C(c1sc2c(c1)CCC2)/N)/c1cccs1	PC-id_113365236	272.388	SUXBMLJOZUDOLQ-UVTDQMKNSA-N	00000010100100000000000010000000000000000000000000000000	25-01-038649
s1c2CCCc2c(c1N=Cc1sccc1C)C#N	PC-id_23854559	272.388	MXHNCBKDMQJHJK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-038650
Cc1cc(cc(c1)C)CC(c1sc2c(c1)CCC2)O	PC-id_114980266	272.405	SIBWDLFUFGSFFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038651
Cc1cc(C)c(cc1C(c1sc2c(c1)CCC2)O)C	PC-id_115806936	272.405	WOBSNXNTDUWZNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038652
CCc1ccc(cc1)CC(c1sc2c(c1)CCC2)O	PC-id_114980722	272.405	VPXFVCPHPIWISI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038653
CCCc1cccc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115838056	272.405	ZNQFFBCJTABAMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038654
OC(c1sc2c(c1)CCC2)Cc1c(C)cccc1C	PC-id_115828408	272.405	PZVWLZXPHSNYSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038655
s1c2c(CCC2)cc1C(O)c1c(cc(cc1C)C)C	PC-id_61086998	272.405	XQGKCLKMIJYWHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038657
s1c2c(CCC2)cc1C(O)c1ccc(C(C)C)cc1	PC-id_61083152	272.405	ZNYHUYZQZAPIRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038658
s1c2c(CCC2)cc1C(O)c1ccc(CCC)cc1	PC-id_61088134	272.405	RAXWRGQXJYOAAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038659
s1c2c(CCC2)cc1C(O)Cc1cc(c(cc1)C)C	PC-id_55149156	272.405	ANSLXIMVKUPUFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038660
s1c2c(CCC2)cc1C(O)Cc1c(ccc(c1)C)C	PC-id_55149352	272.405	WPFWXUFFBGRGLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038661
CC1CC(c2c1nc(s2)NCc1ccccc1)(C)C	EMOLS-id_96707553	272.408	QORQAYZYISISJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038662
Cc1cc(C)c(cc1C(c1sc2c(n1)CCC2)N)C	PC-id_108408178	272.408	DLUCNPBIUWBSQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038663
CCc1ccc(cc1)C(c1sc2c(c1)CCC2)NN	PC-id_105292839	272.408	WFLVWCAAJUCEEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038664
CCc1cccc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105326278	272.408	HYUHNZDFFRGEOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038665
CCc1ccc(nc1)CC(c1sc2c(c1)CCC2)N	PC-id_105014480	272.408	LEYXBUMSNWDGHJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038666
CCCNC(c1sc2c(c1)CCC2)c1cccnc1	PC-id_115799231	272.408	COVQBUDYNAVGJU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038667
CCNC(c1cnccc1C)c1sc2c(c1)CCC2	PC-id_105006608	272.408	KTNKZJZOAYOIEK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038668
CCNC(c1sc2c(c1)CCC2)c1ccc(nc1)C	PC-id_115855037	272.408	PVAQMQCLIJAXQT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038669
CCNC(c1sc2c(c1)CCC2)c1cncc(c1)C	PC-id_105023257	272.408	ZONVGPYSSAKBDV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038670
CCNC(c1sc2c(c1)CCC2)Cc1cccnc1	PC-id_105034746	272.408	HDVOHSYCKNDMFT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038671
CSc1ccc(cc1)C(C)n1cc2C(C)CCc2n1	MCULE-3543627692,EMOLS-id_330997935	272.408	XBQBBLKEGQWIAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038672
CSc1cccc(c1)C(C)n1cc2C(C)CCc2n1	MCULE-4593899308,EMOLS-id_331003809	272.408	JJEPBRGXVAHNHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038673
NNC(c1ccc(c(c1)C)C)c1sc2c(c1)CCC2	PC-id_105300210	272.408	HOWMIKIUUNDNER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038674
NNC(c1cccc(c1C)C)c1sc2c(c1)CCC2	PC-id_105300527	272.408	WJCHFISQTCKHAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038675
NNC(c1ccc(cc1C)C)c1sc2c(c1)CCC2	PC-id_105304653	272.408	GRQSTUNQNMSAEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038676
NNC(c1cc(C)ccc1C)c1sc2c(c1)CCC2	PC-id_105292529	272.408	LOCVGYHKADYBJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038677
NNC(c1sc2c(c1)CCC2)c1cc(C)cc(c1)C	PC-id_105286723	272.408	NUOOQUZNTFNPSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038678
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)C	PC-id_105284229	272.408	GLSYVHWANBYPKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038679
NNC(c1sc2c(c1)CCC2)Cc1ccccc1C	PC-id_105285187	272.408	PCGISKSVCOFDPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038680
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1)C	PC-id_113699393	272.408	VCPJPGNGIYDUKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038681
NNC(c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_113699503	272.408	AGZSKXCFJKEGBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038682
s1c2c(CCC2)cc1C(NC)C(c1ccncc1)C	PC-id_66448323	272.408	GCYVTQYPMRAGKF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038683
s1c2c(CCC2)cc1C(NC)Cc1ncc(cc1)C	PC-id_66446734	272.408	DRFHGZFNCFXYMC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038684
s1c2c(CCC2)cc1C(NC)Cc1ncccc1C	PC-id_66448041	272.408	KBTBZWAIOATTKM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038685
s1c2c(CCC2)cc1C(NCC)Cc1ccncc1	PC-id_65580451	272.408	BVIOQKYCDRWBLV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038686
s1c2c(CCC2)cc1C(NCC)Cc1ncccc1	PC-id_65582951	272.408	UOVDDTXYAZTYPY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038687
s1c2c(CCC2)cc1C(NC)C(C)c1ncccc1	PC-id_66446232	272.408	BSJRPQZRSKJEOU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-038688
s1c2CCCc2nc1CC(N)c1cc(c(cc1)C)C	PC-id_82066872	272.408	JDHGBAMQVUKALT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038689
s1c2CCCc2nc1CC(N)c1ccc(cc1)CC	PC-id_82066873	272.408	FOMWBGJLRVYSST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038690
s1c2CCCc2nc1CC(N)c1c(cc(cc1)C)C	PC-id_82066880	272.408	CSKFDSQQCVKWLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038691
s1c2CCCc2nc1C(N)c1c(cc(cc1C)C)C	PC-id_61331487	272.408	PIZYMMPEQUNTNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038692
s1c2CCCc2nc1C(N)c1ccc(C(C)C)cc1	PC-id_61332083	272.408	LHXCCTHMSOUBEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038693
s1c2CCCc2nc1C(N)c1ccc(CCC)cc1	PC-id_83342874	272.408	IAFPQIGFUCUMEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038694
s1c2CCCc2nc1C(NC)c1ccc(cc1)CC	PC-id_61330574	272.408	CADYIOQKYAAFOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038695
s1c2CCCc2nc1C(NC)c1c(cc(cc1)C)C	PC-id_61330967	272.408	LPUFDPKIECSSFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038696
s1c2CCCc2nc1C(NC)c1cc(c(cc1)C)C	PC-id_61332946	272.408	PSMJZTCVHOFNKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038697
s1c2CCCc2nc1C(NC)c1c(ccc(c1)C)C	PC-id_61552541	272.408	NSBMKHRSYYDIND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038698
s1c2CCCc2nc1C(NC)c1c(c(ccc1)C)C	PC-id_61634515	272.408	CEGRRLNJOKHVFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038699
s1c2CCCc2nc1C(NC)c1cc(cc(c1)C)C	PC-id_61651208	272.408	RMBFNIWGFLCFRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038700
s1c2CCCc2nc1C(NC)c1c(cccc1C)C	PC-id_81927093	272.408	MIGMCDZXSNURCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038701
s1c2CCCc2nc1C(NC)c1c(CC)cccc1	PC-id_62414305	272.408	JNWOHQYKEHRRGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038702
s1c2CCCc2nc1C(N)CC(c1ccccc1)C	PC-id_54980013	272.408	HSAMAVCIAFOTMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038703
s1c2CCCc2nc1C(NC)C(c1ccccc1)C	PC-id_61330971	272.408	JNVLYPSFKPOSLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038704
s1c2CCCc2nc1C(NCC)c1cc(ccc1)C	PC-id_61331839	272.408	KWGHGACIZGHPPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038705
s1c2CCCc2nc1C(NCC)c1c(cccc1)C	PC-id_61332203	272.408	OTZCXTOOJQRPBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038706
s1c2CCCc2nc1C(NCC)c1ccc(cc1)C	PC-id_61332382	272.408	HLHYTSDOPFNISK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038707
s1c2CCCc2nc1C(NCC)Cc1ccccc1	PC-id_61332022	272.408	NFMWTFUJLZQZDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038708
s1c2CCCc2nc1C(NC(C)C)c1ccccc1	PC-id_61335616	272.408	OYFFKVWHSMXSJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038709
s1c2CCCc2nc1C(NCCC)c1ccccc1	PC-id_61336161	272.408	VGFCYAWNUMYPBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038710
s1c2CCCc2nc1C(NC)CCc1ccccc1	PC-id_62880941	272.408	PZYATQXRPJMELK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038711
s1c(nc2c1CCC2)C(N)(Cc1ccccc1)CC	PC-id_79007771	272.408	CAGPKVVLHMREDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038712
s1c(nc2c1CCC2)C(NC)(Cc1ccccc1)C	PC-id_55149181	272.408	WYFYPJWLSLXIHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038713
s1c(nc2c1CCC2)C(N)(CCc1ccccc1)C	PC-id_61331687	272.408	NGFHLWXAAJEEQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038714
CN[C@@H](C(C)(C)C)CN1Cc2c(S1=O)ccs2	PC-id_143355427	272.43	DYDUVKODNKABHR-VCQTYVLVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038715
CSCC(CNCc1sc2c(n1)CCC2)(O)C	PC-id_109948618	272.43	QHRPTKFBSJSFMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038716
OCC(C(NCc1sc2c(n1)CCC2)C)SC	PC-id_109948621	272.43	LBKXBLVEICPZJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038717
OCCC(NCc1sc2c(n1)CCC2)CSC	PC-id_109948642	272.43	DYXORYAJFVVZST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038718
OCCCSCCNCc1sc2c(n1)CCC2	PC-id_109948560	272.43	CMGNBFVBTZMTKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038719
ClC(Cl)(Cl)C1Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_468937	272.473	LTYSCKJWPQRRIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038720
ClC(Cl)(Cl)C1Sc2n(/C/1=N/O)ccn2	PC-id_20276984,SCHEMBL10993910	272.539	WRSJYSFZPOKMOG-NYYWCZLTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038721
ClC(Cl)(Cl)C1Sc2n(C1=NO)ccn2	PC-id_73674240	272.539	WRSJYSFZPOKMOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038722
CN(C)CCCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960026	272.731	FYVIEXBNHLIYLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038723
N#Cc1cc(NCc2cnc3n2CCC3)ccc1Cl	EMOLS-id_318657103,MCULE-1152089091	272.733	OZPKDMWIQBDAPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038724
c1(NC(=O)CCCl)sc2c(CCC2)c1C(=O)N	PC-id_43388364,EMOLS-id_37223816,MCULE-7885848414	272.751	IZPXYCOZZRDNMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038725
CC(Cl)C(=O)Nc1sc2CCCc2c1C(=O)N	EMOLS-id_2870605,PC-id_16226995,MCULE-8753960497,SCHEMBL20548014	272.751	DXJKBBKFCVPHAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038726
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)Cl	CoCoCo_4296133,PC-id_9391806	272.751	DXJKBBKFCVPHAT-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038727
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)Cl	CoCoCo_4296134,PC-id_9391813	272.751	DXJKBBKFCVPHAT-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038728
CC(C(C(=O)N)NC1CCc2c1cc(s2)Cl)C	PC-id_106344334	272.794	ZUZSSRSVQDZGBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038729
CCCNC(=O)CNC1CCc2c1cc(s2)Cl	PC-id_81251947,EMOLS-id_314486165	272.794	QAMCDUJARZHIBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038730
CC(C(=O)N)(NC1CCc2c1cc(s2)Cl)CC	PC-id_112738046	272.794	PYGIWFXQUOETHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038731
CCNC(=O)CCNC1CCc2c1cc(s2)Cl	PC-id_113409642,EMOLS-id_315105659	272.794	OCHYNXTXZJWNNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038732
CC(NC(=O)CNC1CCc2c1cc(s2)Cl)C	PC-id_81251948,EMOLS-id_314840423	272.794	RLNHJXMJKRFTPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038733
Clc1sc2c(C(NCCC(=O)N(C)C)CC2)c1	PC-id_81252065,EMOLS-id_314496613	272.794	SGNIPZKEEOUGKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038734
Clc1sc2c(C(NC(C)C(=O)N(C)C)CC2)c1	PC-id_81252167	272.794	NOTIKSJXGQRYNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038735
Clc1sc2c(C(NC(C)C(=O)NCC)CC2)c1	PC-id_81252168	272.794	CUJASAROFFOSOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038736
CN(C(=O)CNC1CCc2c1cc(s2)Cl)CC	PC-id_113586667	272.794	TZBPMRHCSTXMAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038737
NC(=O)CCCCNC1CCc2c1cc(s2)Cl	PC-id_106233909	272.794	PHMNUODHZQYDJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038738
NC(=O)C(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_113351503	272.794	KYALBWODSBEPBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038739
CC(N(CCNC1CCc2c1cc(s2)Cl)C)C	EMOLS-id_315040847,PC-id_81252405	272.837	KREFHMJSBPQMCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038740
CCN(CCNC1CCc2c1cc(s2)Cl)CC	PC-id_81251935,EMOLS-id_314493602	272.837	MGXXHZYYTWNLFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038741
Clc1sc2c(C(NCCCCN(C)C)CC2)c1	PC-id_81251738,EMOLS-id_314486421	272.837	NWNZKOMCTNUJAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038742
Clc1sc2c(C(NC(CCN(C)C)C)CC2)c1	PC-id_81252400	272.837	PBXYEGYPNMKNFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038743
Clc1sc2c(C(NCC(N(C)C)(C)C)CC2)c1	EMOLS-id_315607934,PC-id_81252474	272.837	RPHRCIYTCZNONK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038744
C1=CC=C(C=C1)CC(=O)CC2C(=O)N3C(=NC=N3)S2	PC-id_148832592	273.057	OTYYSOYAUFEDPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038745
COC1=CC=C(C=C1)CN2C3=C(C(=O)NC3=O)NC2=O	PC-id_153725296	273.075	PICQREIXEOKWKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038746
CC1=CSC2=C1C(=O)N(C2)CC3=CC=C(C=C3)OC	PC-id_164928350	273.082	XBEAKWFKIMLVEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038747
C1COC2=CC(=NN21)C(=O)OCCN3CC(C3)(F)F	PC-id_150584956	273.092	IOQGEKCOVRRUIL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-038748
C1C(OC2=CC(=NN21)C(=O)O)CCN3CC(C3)(F)F	PC-id_151532358	273.092	PWTCYBMQMFINKD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-038749
CC(C1=CC=CC=C1F)OC(=O)C2=CC3=C(N2)CCC3	PC-id_154805141	273.117	RZWFYFKFDXCXDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038750
Brc1n(cc2C(N)(CCc12)C(=O)OC)C	PC-id_83913756	273.126	LAKILBSUVZIWEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038751
Brc1[nH]cc2C(CCc12)(CC(=O)O)CN	PC-id_83913755	273.126	FZVQVRSNPOKQJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038752
c12CCC(C(C(=O)O)C)c1c(Br)n(C)n2	MCULE-3488965628	273.126	CEAQVRWYWNQPKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038753
c1(Br)c(C(C)CC(=O)O)nc2CCCn12	MCULE-3198779536	273.126	AMRHIAKMRHNEJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038754
CC1CCc2c1c(CBr)nn2CC(=O)O	MCULE-6147168975,EMOLS-id_331033612	273.126	YKAOEWYTUTVJEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038755
CC1CCc2nn(CC(=O)O)c(CBr)c12	MCULE-6461171126,EMOLS-id_331017915	273.126	YSSXHUSAHDFCCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038756
COC(=O)Cn1nc2CCC(C)c2c1Br	EMOLS-id_331018666,MCULE-2249908072	273.126	IETPDTLXGCVIRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038757
COC(=O)Cn1nc(Br)c2C(C)CCc12	MCULE-1650765817,EMOLS-id_330969848	273.126	SQPOMKBQMSTPQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038758
BrCC(=O)N(Cc1n2CCCc2nn1)C	EMOLS-id_39935897,PC-id_63679721	273.13	HZVACIGNSDWQNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038759
BrCC(=O)NC(c1n2CCCc2nn1)C	PC-id_63680821,EMOLS-id_39934565	273.13	ZVUXTPFYSIZXRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038760
CC1=CCC(CC1)C(=O)C2=CC=C3N2CCC3C(=O)O	PC-id_154517220	273.136	VVLDLXBWNWBFRP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-038761
C[C@@H](C1=CN(N=C1)C)N(C)C(=O)C2=C3CCCC3=CO2	ZINC22_585082051,PC-id_164633214	273.148	VWUAVUSKWUDSMS-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-038762
CCOC1=C(C=CC(=C1)N[C@H]2CCN3C2=NC=C3)OC	ZINC22_294153171,PC-id_164634930	273.148	QGPKMRSDIKFFPX-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038763
COC1=CC=C(C=C1)COCCN2CCN3C2=NC=C3	EMOLS-id_257948579,MCULE-9780669759,PC-id_154766865	273.148	WBMSXXPIMIRUFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038764
O=C(c1[nH]c2c(c1)CCC2)NC1CC(C1)(Cl)Cl	EMOLS-id_319640852	273.158	WANVITWDWIHFER-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-038765
Brc1n(cc2C(N)(CCc12)CO)C(C)C	PC-id_83913774	273.169	DXQCPYJJMXQZQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038766
Brc1n(cc2C(O)(CCc12)CN)C(C)C	PC-id_83913772	273.169	VGRWSRLDTUPHAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038767
CC1CCc2c1c(CBr)nn2CCCO	EMOLS-id_331032333,MCULE-1420916935	273.169	ICQACCGPHWPSAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038768
CC1CCc2nn(CCCO)c(CBr)c12	MCULE-8883716464,EMOLS-id_331016636	273.169	FEWDKTZWHXOBFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038769
CCC(O)Cn1nc2CCC(C)c2c1Br	MCULE-1295325918,EMOLS-id_331020202	273.169	KUZKIBKWBRXWDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038770
CCC(O)Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330971384,MCULE-3563635843	273.169	DPLGTYYFEZYDCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038771
c12CN(Cc1nn(CC(F)(F)F)c2)CC(F)(F)F	MCULE-8597888241,EMOLS-id_324338273	273.178	DWJSWBGTRJJDJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038772
Brc1c2CSCc2nn1CC1CCC1	EMOLS-id_324397400,MCULE-3451181780	273.193	RBXOLPJZXKPVNU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-038773
BrC(=C)CNCc1sc2c(n1)CCC2	PC-id_115887421	273.193	FMVGQAQWNOJLPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038774
OCc1cc2c([se]1)C(N(C2(C)C)[O])(C)C	PC-id_101507342	273.21	VAKPKLAIMXQLFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038775
c12CN(Cc1nn(CC(F)(F)F)c2C#C)C(=O)OC	MCULE-2978777358,EMOLS-id_324361824	273.211	ACQXDNOPGCCCFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038776
C1Cc2c(C1)n(nc2C(F)(F)F)Cc1nnc(o1)N	PC-id_137730978	273.215	QIVDIZPJEZYMLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038777
CC(C)(CBr)Cc1cc2CCCc2s1	MCULE-6932823316,EMOLS-id_313956314	273.232	LAIXWGXOAWWPGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038778
FC(C1(OCCO1)NC(=O)c1occ2c1CCC2)F	MCULE-7333966321,EMOLS-id_257981567	273.233	WBRJBNNLEUFXGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038779
o1nc2CCCc2c1NC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_16942273	273.244	VUXVGGHMGPFIGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038780
o1nc2CCCc2c1NC(=O)c1cc([N+](=O)[O-])ccc1	PC-id_16942274	273.244	DHVTWPSOXVOLTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038781
O=C1N(C(=O)C2=C1C(=C(O)O)NN2)Cc1ccccc1	PC-id_54330655	273.244	CJDLIXXIBADCEH-UHFFFAOYSA-N	00000011000000110001000010000000000000000000000000000000	25-01-038782
c12CN(Cc1nn(CC1CC1)c2C=O)CC(F)(F)F	MCULE-4936285852,EMOLS-id_324347494	273.254	SXRGCAOZOUJJBY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038783
c1(C(=O)NC2CC2)c2CCCc2nn1CC(F)(F)F	EMOLS-id_324394577,MCULE-7571050584	273.254	VQNGKEDWNUNHHL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038784
CCC(C1CC(c2n1nc(n2)C(=O)C1CC1)F)(F)F	PC-id_137408279,SCHEMBL20641047	273.254	MDZAWQBIFVIRON-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038785
CCC([C@H]1C[C@H](c2n1nc(n2)C(=O)C1CC1)F)(F)F	PC-id_137408053,SCHEMBL20640711	273.254	MDZAWQBIFVIRON-HTQZYQBOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038786
CCC([C@@H]1C[C@@H](c2n1nc(n2)C(=O)C1CC1)F)(F)F	PC-id_137408277,SCHEMBL20641045	273.254	MDZAWQBIFVIRON-YUMQZZPRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038787
O=C(C1(CC1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319414924	273.254	SCEFOMKAHPSSEW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038788
O=C(c1nn2c(c1)CCC2)NC(C(F)(F)F)C1CC1	EMOLS-id_316893547,MCULE-5128529908	273.254	IBYZURZZCBNNLT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038789
O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc2n(n1)CCC2	ZINC22_295416332	273.254	IBYZURZZCBNNLT-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-038790
O=C(N[C@H](C1CC1)C(F)(F)F)c1cc2n(n1)CCC2	ZINC22_295416334	273.254	IBYZURZZCBNNLT-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-038791
Fc1ccc(C(=O)c2n(c3c(OC(=O)C3)c2C)C)cc1	SCHEMBL7674831,PC-id_18424202	273.259	RXQXRZWDLZZDCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038792
Fc1c(C(=O)c2n3CCC(c3cc2)C(=O)O)cccc1	SCHEMBL11061089,PC-id_20351626	273.259	RAKWDSNTZQVVJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038793
O=C(c1cccc(F)c1)c1ccc2n1CCC2C(=O)O	PC-id_13487035,SCHEMBL11357953,CHEMBL9317	273.259	INZCSKRCSSNABF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038794
O=C(c1ccc(F)cc1)c1ccc2n1CCC2C(=O)O	PC-id_12915914,CHEMBL268127,SCHEMBL10946773	273.259	QLPSJIRLKUYLSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038795
OC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccc(cc1)F	PC-id_101944757	273.259	QLPSJIRLKUYLSZ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038796
OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccc(cc1)F	PC-id_101944758	273.259	QLPSJIRLKUYLSZ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-038797
P(=O)(OCC)(OCC)c1c2c(n(O)c1C)CCC2	PC-id_42639537	273.265	HGVPCSAKHACABR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038798
c1(C(=O)OC(C)(C)C)c2CNCc2nn1CC(F)F	MCULE-9524664201,EMOLS-id_324347490	273.279	NUCKHSPGAXWEBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038799
CC(C)(C)OC(=O)N1Cc2c(C1)n(nc2)CC(F)F	PC-id_135234295,SCHEMBL20392577	273.279	IHMHGFZYCFUPER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038800
CC(C)(C)OC(=O)N1Cc2cn(nc2C1)CC(F)F	SCHEMBL20392575,PC-id_135234293	273.279	XJWYMSPSYKPZGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038801
CC1CCc2c1c(nn2Cc1cccc(F)c1F)C#N	EMOLS-id_331021298,MCULE-4786470020	273.281	ONLQNCKKJDUOBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038802
CC1CCc2c1c(nn2Cc1ccc(F)cc1F)C#N	MCULE-5980450554,EMOLS-id_331019506	273.281	IHCQCEODKDUASM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038803
CC1CCc2c1c(nn2Cc1ccc(F)c(F)c1)C#N	EMOLS-id_331019250,MCULE-2548871750	273.281	DTSJZAXWSOSTFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038804
CC1CCc2c1c(nn2Cc1cc(F)ccc1F)C#N	EMOLS-id_331021810,MCULE-2533714847	273.281	PGTCKAKKDIYMES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038805
CC1CCc2c1c(nn2Cc1cc(F)cc(F)c1)C#N	EMOLS-id_331019763,MCULE-5393799338	273.281	PUWWWGAOOWMZNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038806
CC1CCc2c1c(nn2Cc1c(F)cccc1F)C#N	MCULE-9604530277,EMOLS-id_331021554	273.281	QYMAZDGHZFNBCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038807
CC1CCc2nn(Cc3cccc(F)c3F)c(C#N)c12	EMOLS-id_330997949,MCULE-5588064982	273.281	DFINQWCIRASECO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038808
CC1CCc2nn(Cc3ccc(F)cc3F)c(C#N)c12	MCULE-7989754723,EMOLS-id_331000252	273.281	FWUNAQJCKZPSEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038809
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(C#N)c12	MCULE-2907539483,EMOLS-id_330999996	273.281	YECOKBFZYUYOKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038810
CC1CCc2nn(Cc3cc(F)ccc3F)c(C#N)c12	EMOLS-id_330998461,MCULE-2095828208	273.281	ACWGKAPGIQJCCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038811
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(C#N)c12	MCULE-2650364335,EMOLS-id_331000509	273.281	IFMPLQCGFSBUER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038812
CC1CCc2nn(Cc3c(F)cccc3F)c(C#N)c12	MCULE-6478242899,EMOLS-id_330998205	273.281	NSSGCLDLKAJLDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038813
CCC(C(F)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319142392	273.282	URXFLEOWXVGDDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038814
CCOC(=O)C1CCn2c1ccc2C(=O)c1ccco1	SCHEMBL11660721,PC-id_20356158	273.284	PVVWECJVCVWEPR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-038815
OCc1ccc(c(c1)O)NC(=O)c1occ2c1CCC2	EMOLS-id_319307331	273.284	UNMSLVAHDREBPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038816
O=C(c1occ2c1CCC2)NCc1cccc(c1O)O	EMOLS-id_318977599	273.284	NRAMMQFUWLCQFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038817
O=C(c1occ2c1CCC2)NCc1c(O)cccc1O	EMOLS-id_319351542	273.284	ZURWTOZRDIDYSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038818
OC(=O)C1c2n(CC1)c(c(c2)C)C(=O)c1occc1C	SCHEMBL11659190,PC-id_20356088	273.284	KNDGXMLQRBAUCP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-038819
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(o1)C)C	SCHEMBL11663401,PC-id_20356072	273.284	LLVSTOBMNNJPFI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-038820
OC(=O)C1CCn2c1cc(c2C(=O)c1occ(c1)C)C	PC-id_20356076,SCHEMBL11656153	273.284	OAXSKKMFTKZVIV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-038821
O=C(C(=O)O)Nc1sc2c(c1C(=O)O)CCS2	PC-id_57306540,SCHEMBL7536158	273.286	NMCNTJCECTULLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038822
Cc1ccc(O)cc1C(=O)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_1776005859	273.287	KLVVHQFHPIJZOE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038823
Cc1ccc(O)cc1C(=O)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_1776005861	273.287	KLVVHQFHPIJZOE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038824
CCn1cncc(c1=O)NC(=O)c1occ2c1CCC2	EMOLS-id_316682925	273.287	VIXPXZFPEBTVLE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038825
CC(=O)Nc1ccc(CCc2noc3c2COC3)cn1	ZINC22_2325871235	273.287	CSGSHSQXCRAKEW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038826
COc1ccc(COC(=O)c2n[nH]c3c2CCC3)cn1	EMOLS-id_48245289,PC-id_75375080,ZINC22_95405043,MCULE-9591925758	273.287	UCDZMHYNULUCME-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038827
COCc1nc2CN(Cc2o1)C(=O)Cc1ccccn1	ZINC22_96260244,EMOLS-id_44372040,PC-id_97520321	273.287	FZCHXQFZIKZREA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038828
O1C(C(c2c1nn(c2C)Cc1cccnc1)C)C(=O)O	PC-id_67883593,SCHEMBL9583607	273.287	GABZGZWLOMOTQP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038829
O1C(C(c2c1nn(c2C)Cc1ccncc1)C)C(=O)O	SCHEMBL9584735,PC-id_67883802	273.287	PBHDNOMZTZXHCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038830
O1C(C(c2c1nn(c2C)Cc1ncccc1)C)C(=O)O	PC-id_67883698,SCHEMBL9584164	273.287	PKGXCKQKBDWGPP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038831
Oc1ccc(c(c1)O)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319725370	273.287	ZHROZZRNKXORPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038832
Oc1ccc(c(c1)O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318988261	273.287	WFDAGBAIBVYZJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038833
OCc1ccc(cc1)OCC(=O)N1CCn2c1ncc2	EMOLS-id_319772150	273.287	LSRYSLZXPFMIDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038834
OCc1ccc(c(c1)O)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_319830046	273.287	KHVYECCZMUUPQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038835
OCc1ccc(c(c1)O)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319715443	273.287	OOUCZFSJDQLKNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038836
O=C(c1cn2c(n1)CCC2)NCc1cccc(c1O)O	EMOLS-id_319673542	273.287	AGNLISMIBYUNGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038837
O=C(c1cn2c(n1)CCC2)NCc1c(O)cccc1O	EMOLS-id_320104236,MCULE-6544390178	273.287	GXDXZGAXSPRUPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038838
O=C(c1cnc2n1CCC2)NCc1cccc(c1O)O	EMOLS-id_319597214	273.287	RPXNQBXFDSEUCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038839
O=C(c1cnc2n1CCC2)NCc1c(O)cccc1O	EMOLS-id_319901980,MCULE-4020473112	273.287	XNGZOJRODCSMQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038840
O=C(c1cnn2c1CCC2)NCc1cccc(c1O)O	EMOLS-id_319556174	273.287	WONRNDACWSGVSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038841
O=C(c1cnn2c1CCC2)NCc1c(O)cccc1O	EMOLS-id_319093115	273.287	ULHVWNXTPKXBIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038842
OCC1N(Cc2c1c[nH]n2)C(=O)c1cc(O)ccc1C	PC-id_139018419,MCULE-5235211799,EMOLS-id_320397681	273.287	KLVVHQFHPIJZOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038843
OCC1N(Cc2n[nH]cc12)C(=O)OCc1ccccc1	EMOLS-id_331274774	273.287	YKPUHCWCSMYTMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038844
O=C(c1n(C)nc2c1CCC2)Nc1ccc(c(c1)O)O	EMOLS-id_319382115	273.287	SZJNGFJNYMFIII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038845
O=C(c1nn2c(c1)CCC2)NCc1c(O)cccc1O	EMOLS-id_318858343	273.287	UBDGRFXUXVEVPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038846
O=C(c1n[nH]c2c1CCC2)NCc1cccc(c1O)O	EMOLS-id_319196796,PC-id_146143392	273.287	CTYMCOCIIRUJIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038847
O=C(c1n[nH]c2c1CCC2)NCc1c(O)cccc1O	EMOLS-id_320020645,MCULE-4203649152	273.287	JMLRWBNRIZULMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038848
O=C(c1occ2c1CCC2)N1CCC(C1)c1nocn1	MCULE-9299690266,EMOLS-id_320089734	273.287	VCFKVXMMDKZKGG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038849
O=C(c1occ2c1CCC2)NCCn1cccnc1=O	EMOLS-id_320106376,MCULE-8834092252	273.287	POJQHQUTEUQMSP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038850
O=C(N1Cc2c(C1)cnn2C)Cc1ccc(c(c1)O)O	EMOLS-id_318802157	273.287	URWQIXILSRPJRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038851
O=C(NC1CCn2c1cnc2)Cc1ccc(c(c1)O)O	EMOLS-id_319109567	273.287	RTZAAGXZFOQLKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038852
OC(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(cc1)C	SCHEMBL19609285	273.287	MEJZTHKZFFNIPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038853
OC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(cc1)C	SCHEMBL19584326	273.287	MEJZTHKZFFNIPY-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-038854
CC1CC(=O)N(C1=O)C(c1nnc2n1nc(c2=C)C)C	PC-id_57604441,SCHEMBL13741109	273.29	DBKHXUVNKYBVEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038855
Cc1nn2c(nc(n2)C(C)Cn2c(ccc2O)O)c1=C	PC-id_91219524	273.29	YSWJROSCJHTTST-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-038856
O=C(c1cn[nH]c1C1CCCO1)N1Cc2c(C1)cn[nH]2	EMOLS-id_319719625	273.29	NFFBKEPWVMKGPP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038857
O=C(N1CCn2c1ccn2)c1cn[nH]c1C1CCCO1	EMOLS-id_316673835	273.29	WFNCHVAEAAYKLV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038858
O=C(NC1CC(n2c1ncn2)C)Cc1ccc(cn1)O	EMOLS-id_319097915	273.29	QXFWEECRZYANHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038859
O=C(NC(c1n2CCCc2nn1)C)C1C=CC(=O)N=C1	PC-id_76874925	273.29	SRFKMECUEXQDPX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038860
O=C(N(Cc1n2CCCc2nn1)C)C1C=CC(=O)N=C1	PC-id_76877295	273.29	BTCULYILIRWXJR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038861
O=C(N(Cc1n2CCCc2nn1)C)c1cc(O)cnc1	PC-id_63859738	273.29	QUZHRWXSBWMZEJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038862
O=C(NC(c1n2CCCc2nn1)C)c1cc(O)cnc1	PC-id_63860297	273.29	IOVLCIDLWXMGQI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038863
O=C(NC(c1n2CCCc2nn1)C)c1c[nH]c(=O)cc1	PC-id_60715580	273.29	UWENBRSBMHGNCG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038864
O=C(N(Cc1n2CCCc2nn1)C)c1c[nH]c(=O)cc1	PC-id_60763975	273.29	PZVFOPJCIPNILM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038865
O=C(NCCc1n2CCCc2nn1)c1[n+]([O-])cccc1	PC-id_60557253	273.29	UIBCRUDBFNBWTF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038866
c1(CNC(=O)c2ccc(=O)[nH]n2)c2CCCc2nn1C	MCULE-9783858221,EMOLS-id_53884625,ZINC22_225817657,PC-id_91819378	273.291	KOXKWMVEZZSJKQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038867
C=C1C=C(C(=O)C=C1N)Nc1c(n2CCCn2c1=O)N	PC-id_91129251	273.291	KGIRAAGHDMKVAX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038868
CC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=N)CC1=O	PC-id_136510787	273.291	UIBQTQRZZDCEMJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038869
CC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=O)CC1=N	PC-id_136601530	273.291	ZWQFRAKBYBPCDJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038870
Cc1cc(NCc2cnc3n2CCC3)ncc1[N+](=O)[O-]	EMOLS-id_316960354,ZINC22_719936866,PC-id_136560146	273.291	FQILGBSMILDNHZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038871
Cc1ccnc(NCc2cc3n(n2)CCC3)c1[N+](=O)[O-]	MCULE-8695942223,ZINC22_585092501,EMOLS-id_177295796	273.291	AXXQDMKYEVWSJX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038872
Cc1ccnc(NCc2cnc3n2CCC3)c1[N+](=O)[O-]	PC-id_136560148,EMOLS-id_316960610,ZINC22_719801174	273.291	SCKCDHLCSPPUNM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038873
CC1=CC(=O)CC(=N)C1=Nc1c(n2CCCn2c1=O)N	PC-id_136653013	273.291	SCWYLBDWJAOGMP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038874
Cc1cc(=O)[nH]c(n1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_316477141	273.291	ZIYNJIKTGBEKTM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038875
Cc1nnc2CC(CNC(=O)c3ncccc3O)Cn12	MCULE-5349372671,EMOLS-id_317468570,PC-id_137340287	273.291	OSSKASRROWENAO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038876
Cc1nnc2n1C[C@@H](CNC(=O)c1ncccc1O)C2	ZINC22_1772710144	273.291	OSSKASRROWENAO-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038877
Cc1nnc2n1C[C@H](CNC(=O)c1ncccc1O)C2	ZINC22_1772710149	273.291	OSSKASRROWENAO-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-038878
CC(c1nnc2n1CCC2)NC(=O)c1cccc(=O)[nH]1	PC-id_108109829	273.291	VJWCKGFBRQCEJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038879
CC(c1nnc2n1CCC2)NC(=O)c1cc[nH]c(=O)c1	PC-id_103764460	273.291	ZNQSJOMOCMCMIM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038880
CC(c1nnc2n1CCC2)NC(=O)c1c[nH]ccc1=O	PC-id_108101284	273.291	GRNXUOUJPIYCBC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038881
CCN=c1ccc(NC(=O)c2cc3n(n2)CCO3)c[nH]1	ZINC22_1875278472	273.291	BWSIHEVNSCZJPF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038882
CN(C(=O)c1cccc(=O)[nH]1)Cc1nnc2n1CCC2	PC-id_108109578	273.291	XFWOBXFOTUNHFX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038883
CN(C(=O)c1cc[nH]c(=O)c1)Cc1nnc2n1CCC2	PC-id_103763703	273.291	LCXHORMWVRWJJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038884
CN(C(=O)c1c[nH]ccc1=O)Cc1nnc2n1CCC2	PC-id_108100997	273.291	AJAASQVLJUXVRG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038885
COc1ccc(nn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319688790	273.291	ITJGRWFWXRFRET-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038886
COc1cnc(CNC(=O)c2cnc3n2CCC3)nc1	ZINC22_2325802479	273.291	JNJWMOFRKYSMIH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038887
COc1cnc(nc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318854062	273.291	VKYMZOCATLOQFH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038888
COc1cnc(nc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319074430	273.291	PIRQCDCZLOEZMM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038889
COc1ncccc1C(=O)NCc1nnc2n1CCC2	PC-id_53505862,EMOLS-id_35695152,ZINC22_65449430,MCULE-2899759862	273.291	QDPLZEPFHDFMLL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038890
COc1ncc(cn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319837801	273.291	WMTCKLDJLYRWMS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038891
NC1=CC(=O)C(=C/C/1=Nc1c(=O)n2n(c1N)CCC2)C	SCHEMBL3859723,PC-id_57577959	273.291	JKAHEJPCUNCMJW-CXUHLZMHSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038892
O=C1C=C(C)/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=C1)N	SCHEMBL13680046,PC-id_57577955	273.291	KEJPOZDBSYCCGX-MHWRWJLKSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038893
O=C1C=C(C)/C(=N/c2c(=O)n3n(c2N)CCC3)/C(=C1)N	SCHEMBL3853954	273.291	KEJPOZDBSYCCGX-YBEGLDIGSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038894
O=C1C=C(C)C(=Nc2c(=O)n3n(c2N)CCC3)C(=C1)N	SCHEMBL3853957	273.291	KEJPOZDBSYCCGX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038895
O=C1CCC(=O)N1CC(c1nn2c(n1)c(=C)c(n2)C)C	PC-id_57604421,SCHEMBL13741578	273.291	IJWBWHHURWFDNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038896
OC1=CC(=N)C(=C/C/1=Nc1c(=O)n2n(c1N)CCC2)C	SCHEMBL3858524	273.291	XQAXOVUXVKMXPL-QIOKVJNDSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038897
O=c1n2n(CCC2)c(N)c1/N=C/1C=C(C(=CC1=O)N)C	PC-id_57577978	273.291	GARIRFNNQFKYSQ-CXUHLZMHSA-N	00000010100011000001000010000000000000000000000000000000	25-01-038898
O=C(c1ccc(=O)n(n1)C)NCc1n[nH]c2c1CCC2	MCULE-8808775742,EMOLS-id_320090758	273.291	CADJEVFRGBOFHR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038899
O=C(c1cnc2n1CCC2)NCCn1cccnc1=O	EMOLS-id_319267342	273.291	GXKGRGIGNLBXQI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038900
OCc1nccc(c1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_318900692	273.291	LKHHCHJPFXPLQY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038901
O=C(c1nn2c(c1)OCC2)NCc1n[nH]c2c1CCC2	MCULE-8636670328,EMOLS-id_319898040	273.291	XDKHYFIAVYYZDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038902
O=C(c1nnc(o1)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_320219224,MCULE-5074439937	273.291	HPFNYECTWJFFSL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038903
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)c1nocn1	EMOLS-id_319486091	273.291	UGMLEUXPRICEHH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038904
O=C(c1n[nH]c2c1CCC2)NCCn1cccnc1=O	EMOLS-id_319012243	273.291	SYXAABZDMORTOR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038905
O=C(c1occ2c1CCC2)N1CCC(C1)c1n[nH]nn1	EMOLS-id_319446414	273.291	QOJHFEOQHWLTFK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038906
O=C(c1occ2c1CCC2)N1CCCC1c1nnn[nH]1	EMOLS-id_258039870,MCULE-1328233020	273.291	SKIVMCLPCUKIRL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038907
O=C(Cn1ccccc1=O)NCc1nnc2n1CCC2	EMOLS-id_36262765,ZINC22_42766758,PC-id_53521656,MCULE-4763535670	273.291	TZZXLTZZKXYEKN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-038908
O=C(NC1(c2nc[nH]n2)CCC1)c1coc2c1CNC2	ZINC22_2325780281	273.291	VMDSQMWAUXNUNI-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-038909
O=C(Nc1ccc(cc1)O)NCc1nnc2n1CCC2	PC-id_68341637,SCHEMBL12655384	273.291	YSFFYBKQXRAQRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038910
O=C(NCc1cnc2n1CCC2)c1nc(C2CC2)no1	EMOLS-id_324021357,ZINC22_1875282406,PC-id_146104065,MCULE-4428876148	273.291	CEDGRXRSSSZUDU-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038911
O=C(NCc1nnc2n1CCC2)c1cc(C2CC2)on1	MCULE-5885256827,PC-id_34240947,ZINC22_26948628,EMOLS-id_35694294	273.291	BULCAVZEZUPDAD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-038912
FC(F)(F)c1oc2c(c1CNC1CCCC1)CCC2	PC-id_83610554	273.294	ULDZWORTYFXZHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-038913
O=C(c1cc2n(n1)CCC2)N1CCC[C@H]1c1nn[nH]n1	ZINC22_900396330	273.294	OPKSYWVSTNTVPO-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-038914
O=C(c1cnc2n1CCC2)N1CCCC1c1nnn[nH]1	EMOLS-id_258039810,MCULE-8075093796	273.294	XFHTZQPGSZWYOG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038915
O=C(c1cnn2c1CCC2)N1CCCC1c1nnn[nH]1	EMOLS-id_316531697	273.294	PJUPIBDUIBRSGZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-038916
O=C(Nc1ccnc(n1)C)NCc1nnc2n1CCC2	EMOLS-id_99653757	273.294	DUKPYSKIRJMVBB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038917
O=C(Nc1cnc(cn1)C)NCc1nnc2n1CCC2	EMOLS-id_318826384	273.294	STDNAXDAVOANOL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038918
O=C(Nc1nccc(n1)C)NCc1nnc2n1CCC2	EMOLS-id_319101433	273.294	OEFPZHUMWHHVBD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-038919
c12CN(Cc1nn(CC1CCCC1)c2)CC(F)(F)F	EMOLS-id_324341088,MCULE-7741957037	273.297	JKRNUCNHMMKCCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038920
n12N=C(C(C)(C)C)C(=NNc3[nH]ncn3)c1nc(n2)C	PC-id_59247783	273.297	HQIVJUPZVDMOFN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-038921
n12N=C(C(C)(C)C)/C(=N/Nc3[nH]ncn3)/c1nc(n2)C	PC-id_59702977	273.297	HQIVJUPZVDMOFN-CHHVJCJISA-N	00000011100000000001000010000000000000000000000000000000	25-01-038922
COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(cc1)F	SCHEMBL1004655,PC-id_59180129	273.302	QWHWKWLHOKQLLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038923
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)F	SCHEMBL2074424,PC-id_59180099	273.302	OKKBRNJUOIPXEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038924
Fc1ccc(cc1)CC1CCc2c1cc(n2C)C(=O)O	SCHEMBL3825453,PC-id_68803886	273.302	RPMMRDQTFVLZLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038925
Fc1ccc(c(c1)C)CC1CCc2c1cc([nH]2)C(=O)O	PC-id_59180094,SCHEMBL1003918	273.302	ISBMHRBBQOIRQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038926
c12CN(Cc1nn(CCF)c2C=O)Cc1ccccc1	EMOLS-id_324349544,MCULE-2405068587	273.305	XNCSIYSCKNWDLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038927
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)F)n1	EMOLS-id_331037188,MCULE-1776032293	273.305	VSPZQXSVLCOVAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038928
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2F)n1	MCULE-2693491522,EMOLS-id_331035653	273.305	VRIPAEFDWCLUKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038929
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(F)c2)n1	MCULE-7605594632,EMOLS-id_331038213	273.305	OOPQCCOIJWAENK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038930
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1F	EMOLS-id_331017662,MCULE-3470543358	273.305	SMQRLOGPBPDSCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038931
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)F	MCULE-2122163809,EMOLS-id_331015102	273.305	PSBOOPQDBTVDGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038932
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(F)c1	EMOLS-id_331016127,MCULE-4132955254	273.305	XBZVURJSDOYBSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038933
c1(C(=O)NCc2ccccc2F)c2CCCc2n(C)n1	MCULE-8839715675,PC-id_110389003,EMOLS-id_179745073	273.305	WXNMDPHGNFDJAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038934
c1(C(=O)NCc2ccc(cc2)F)c2CCCc2n(C)n1	PC-id_110389004,EMOLS-id_179745076,MCULE-8338304579	273.305	AIBNCMUPUZVCIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038935
c1(C(=O)NCCc2ccccc2F)c2CCCc2[nH]n1	EMOLS-id_179744592,PC-id_110388839,GD-id_ZINC49679028,MCULE-1342293818	273.305	KKFRTCNTXWRKLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038936
c1(C(=O)NCCc2ccc(cc2)F)c2CCCc2[nH]n1	EMOLS-id_179744595,PC-id_110388840,MCULE-2372178983	273.305	KGCCCSQBARDHRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038937
c1(C(=O)NCCc2ccccc2F)cn2c(CCC2)n1	EMOLS-id_321295573,MCULE-5296676373	273.305	JJNGWTHIYSYDNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038938
c1(C(=O)NCCc2ccc(cc2)F)cn2c(CCC2)n1	EMOLS-id_321295829,MCULE-9373121389	273.305	ORVZIZHCSYTXSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038939
c1(C(=O)NCCc2cccc(F)c2)c2CCCc2[nH]n1	MCULE-1663462464,EMOLS-id_323259824	273.305	KSXQUKTVGATBSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038940
c1(NC(=O)Cc2ccc(cc2)F)n(C)nc2CCCc12	MCULE-9818175672,EMOLS-id_24910422,PC-id_30859137,ZINC22_23135702,CoCoCo_5273026	273.305	GQZGXTZMOZPRCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038941
Cc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_317947255	273.305	VYQDTWNSKMQJHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038942
Cc1ccc(c(c1)F)C(=O)NCc1cnc2n1CCC2	MCULE-7083939600,EMOLS-id_317974404	273.305	IHGJTDWFXBRFAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038943
C=CCc1cccc(c1OCc1nnc2n1CCC2)F	MCULE-9042025942,EMOLS-id_319950026	273.305	MTKDETMSARQKGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038944
CC(C(=O)N1Cc2c(C1)cn[nH]2)Cc1ccccc1F	EMOLS-id_316034999,MCULE-3887251380	273.305	NFZVIXRNDXTODA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038945
C[C@@H](Cc1ccccc1F)C(=O)N1Cc2c[nH]nc2C1	ZINC22_646348127	273.305	NFZVIXRNDXTODA-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-038946
C[C@H](Cc1ccccc1F)C(=O)N1Cc2c[nH]nc2C1	ZINC22_646348128	273.305	NFZVIXRNDXTODA-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038947
Fc1ccc(c(c1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317916597	273.305	ATIAZNJXNZQUFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038948
Fc1ccc(c(c1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319133378	273.305	QRAFIILXVZGGDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038949
Fc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319371169	273.305	IITVLELEEQNQFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038950
O=C(c1ccc(c(c1)C)F)NCc1cnc2n1CCC2	EMOLS-id_317927287	273.305	SYCGNHOCXOABKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038951
O=C(c1cccc(c1F)C)NCc1cnc2n1CCC2	MCULE-2145588010,EMOLS-id_317947029	273.305	PLXJDGOJARCESO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038952
O=C(c1cccc(c1F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319723337	273.305	YCFLXVXRJITITM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038953
O=C(c1ccc(c(c1)F)C)NCc1n[nH]c2c1CCC2	MCULE-7578226936,EMOLS-id_320131861	273.305	YUIOQYZYRNYBMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038954
O=C(Cc1cccc(c1)F)NCc1cnc2n1CCC2	EMOLS-id_319010509	273.305	DMHGIPVSCYJOGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038955
O=C(Cc1ccc(cc1)F)NCc1cnc2n1CCC2	EMOLS-id_320040612,MCULE-6770064607	273.305	RKZXZZZTOQLRHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038956
O=C(Cc1ccccc1F)NCc1cnc2n1CCC2	MCULE-3961578267,EMOLS-id_319929145	273.305	HULNXAALZVZRKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038957
O=C(Cc1ccccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319094237	273.305	POLXZNKSNGBMEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038958
O=C(Cc1ccc(cc1)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320074811,MCULE-2231631682	273.305	KXBMOPTXYAXINB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038959
S1c2n(Cc3ccccc3)cc(c2C(=O)C1)C(=O)O	PC-id_24974818	273.307	KCJWTWPJSXSFIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038960
C1Cc2c(C1)n(nc2C(=NN)N)Cc1ccccc1F	SCHEMBL15111565,PC-id_86692093	273.309	SGTXKIHHKLXOLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-038961
CC(C)(C)OC(=O)Nn1c(c2n(c1=O)CCS2)O	PC-id_90881682	273.309	JHWKBFHGUFHVLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038962
CC[C@@H](C)S(=O)(=O)NC(=O)c1cc2n(n1)CCO2	ZINC22_408474815	273.309	ROEUVHODZQDMEM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038963
CC[C@H](C)S(=O)(=O)NC(=O)c1cc2n(n1)CCO2	ZINC22_408474816	273.309	ROEUVHODZQDMEM-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038964
CCCNC(=O)c1nc2CN(Cc2o1)S(=O)(=O)C	EMOLS-id_44379944,PC-id_97525817,ZINC22_96266055	273.309	UNQCSYDWHIOOPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038965
CC(CS(=O)(=O)NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_112034353	273.309	LXQPIHVCMOVSNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038966
CCC(S(=O)(=O)NC(=O)c1cc2n(n1)CCO2)C	PC-id_146132815,EMOLS-id_112047991	273.309	ROEUVHODZQDMEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038967
COC(C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_110405162	273.309	MTVUAPNAZSOSBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038968
CCCCCCCCCC(=O)c1sc2c(c1)CCC2	PC-id_114966455	278.453	GGWYWUYFQXPWFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043066
OC(=O)CCCNS(=O)(=O)c1cnc2n1CCC2	MCULE-4401259764,EMOLS-id_72218382,PC-id_120393899	273.309	PYCSCDQYVHWUTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038969
OC(=O)CCN(S(=O)(=O)c1cnc2n1CCC2)C	PC-id_120397428,MCULE-6401441270,EMOLS-id_72223924	273.309	RREURAAAWBHZMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038970
OC(=O)C(N(S(=O)(=O)c1cnc2n1CCC2)C)C	PC-id_120398126,EMOLS-id_72223662,MCULE-8730466752	273.309	ZEPTUQYHVVQKOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038971
c1(NC(=O)c2cc(no2)C)sc2c(CCC2)c1C#N	ZINC22_11693204,CoCoCo_5249146,EMOLS-id_7679955,PC-id_16879797,MCULE-8843228483	273.31	OUZSFUTYZKCNQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038972
c1(NC(=O)c2cc(on2)C)sc2c(CCC2)c1C#N	ZINC22_426281,MCULE-5722440674,BindingDB-id_78460,PC-id_866473,ChEMBL-DNDi_CHEMBL1408676,CoCoCo_543379,BindingDB_PC-id_866473,EMOLS-id_2043502	273.31	GVFCSNMGSRACHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-038973
Cc1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324841698	273.31	KGBXJQXJVBURNU-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038974
CCc1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324843752	273.31	JHTYQSGIQOINEY-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038975
CCc1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324843749	273.31	TYYHBBFZFCYIHV-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038976
CCOc1ccccc1/C=c/1sc2ncnn2c1=O	ZINC22_13147434,EMOLS-id_6684310,ChEMBL-DNDi_CHEMBL5629-0290	273.31	HUHWDCYINUZOJZ-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038977
CCOc1ccccc1/C=c/1sc2nncn2c1=O	ZINC22_13547540	273.31	XLXRTNWLIDMQFC-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038978
CNC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	PC-id_18626996,SCHEMBL7149254	273.31	BYDJTPCHRBAPQL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038979
CNC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	PC-id_70004594,SCHEMBL7149252	273.31	BYDJTPCHRBAPQL-VMPITWQZSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038980
CNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7149246	273.31	BYDJTPCHRBAPQL-YVMONPNESA-N	00000010110000000000000010000000000000000000000000000000	25-01-038981
COc1ccc(cc1)/C=c/1c(=O)sc2n1nc(n2)C	PC-id_101129409	273.31	OZYMDKBMXJLAEF-YRNVUSSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038982
COc1ccccc1/C=c/1sc2nc(C)nn2c1=O	EMOLS-id_324839405	273.31	PBEBJGHAYBPDSM-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038983
COc1ccccc1/C=c/1sc2nnc(C)n2c1=O	ZINC22_9187947	273.31	HYGGORNRMATGSA-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038984
COc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1	EMOLS-id_324838636	273.31	FCASYWFMOWINCU-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038985
COc1cccc(/C=c/2sc3nc(C)nn3c2=O)c1	EMOLS-id_324840173	273.31	OBEMZHHROCOENT-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038986
COCc1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324896271	273.31	CNJQILRJAWBCTR-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038987
n12nc(nc1sc(=Cc1ccccc1)c2=O)COC	MCULE-6333455455	273.31	CNJQILRJAWBCTR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038988
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)CC	MCULE-5780053650	273.31	TYYHBBFZFCYIHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038989
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)C	MCULE-4178733338	273.31	PBEBJGHAYBPDSM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038990
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)C	MCULE-5414624995	273.31	KGBXJQXJVBURNU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038991
n12ncnc1sc(=Cc1ccccc1OCC)c2=O	MCULE-8752832939,EMOLS-id_300112665,ChEMBL-DNDi_CHEMBL1492971	273.31	HUHWDCYINUZOJZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038992
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CC	MCULE-1992119311	273.31	JHTYQSGIQOINEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038993
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)C	MCULE-9378584515	273.31	OBEMZHHROCOENT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038994
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)C	MCULE-9677062882	273.31	FCASYWFMOWINCU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-038995
NC(=O)Cc1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	PC-id_139979575	273.31	DUFFLEVOHXOERI-WTKPLQERSA-N	00000010110000000000000010000000000000000000000000000000	25-01-038996
s1c2CCCc2c(c1NC(=O)c1oc(N)cc1)C#N	PC-id_82344403	273.31	HEHSHCNGOUSMRE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-038997
s1c2CCC(=NNc3ccc([N+](=O)[O-])cc3)c2cc1	PC-id_71671763	273.31	IKLDHUHYMAEVEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-038998
s1c2c(N=C(NNc3ccc(OC)cc3)C2=O)cc1	PC-id_44133436	273.31	YHALCHPFTALRFY-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-038999
S1c2n(nc(n2)C=Cc2cc(OC)ccc2)C(=O)C1	PC-id_82357993	273.31	FOMLGPWOIYJXIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039000
S1c2n(nc(n2)CCC(=O)c2ccccc2)C(=O)C1	PC-id_82358009	273.31	JXBOIRMZJFYOAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039001
S1C(C(=O)n2c1nnc2)C=Cc1ccc(OC)cc1	PC-id_18891879	273.31	DSFFFNKZKAWICZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039002
S1C(C(=O)n2c1nnc2)C=Cc1c(OC)cccc1	PC-id_18891875	273.31	BLILPWDDNWQVGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039003
O=C(C(C)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68439035,SCHEMBL2914040	273.312	RCWDPPCRLHFTPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039004
c1(C(=O)Nc2sc3CCCc3c2C#N)cn(C)nn1	MCULE-6669902627,EMOLS-id_328153363	273.314	KBPSKCSOESQYFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039005
N#Cc1c(scc1C)NC(=O)N1CCn2c1ncc2	EMOLS-id_319395584	273.314	MJKMDALOLMLVHX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039006
O=C(c1cc2c(s1)[nH]nc2)NC1CCn2c1cnc2	EMOLS-id_319161315	273.314	BKEJLDAMPXXARU-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-039007
O=C(c1cc2c(s1)[nH]nc2)NC1CCn2c1ncc2	EMOLS-id_319753290	273.314	CBNUDMKYONSVKV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-039008
O=C(N1Cc2c(C1)cnn2C)c1sc2c(c1)cn[nH]2	EMOLS-id_320138721,MCULE-3135381686	273.314	YGUVLUVRYOJGIQ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-039009
s1c2CCCc2c(c1NC(=O)c1nc([nH]n1)C)C#N	PC-id_80384798	273.314	DAFMUMREJPZZCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039010
s1c2CCCc2c(c1NC(=O)c1[nH]ncc1N)C#N	PC-id_55176480	273.314	KGQYFQMOFLRFFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039011
BrCCOC(=O)c1scc2OCOc12	PC-id_54039569	279.108	LLJUOLSEWLUVHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043206
s1c2CCCc2c(c1NC(=O)c1[nH]nc(N)c1)C#N	PC-id_64523258	273.314	ZQMPDTQQROLHFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039012
c1csc(n1)c1ncn(n1)Cc1nnc2n1CCC2	EMOLS-id_318775286	273.317	HSNIBMRBTDLNTA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039013
c1(C(N)c2cc(ccc2F)C#N)sc2c(CCC2)n1	PC-id_83343419,MCULE-6474057779	273.329	VYOFBRLEVBPRKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039014
N#Cc1ccc(c(c1)F)NCc1sc2c(n1)CCC2	MCULE-4539842344,EMOLS-id_318666618	273.329	MBLZLMPGXHGAQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039015
N#Cc1c(cccc1F)NCc1sc2c(n1)CCC2	MCULE-6646223117,EMOLS-id_318656593	273.329	XCWWYPZSIDVCNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039016
N#Cc1cc(F)ccc1NCc1sc2c(n1)CCC2	EMOLS-id_318565883,MCULE-8615385007	273.329	SHMBCPKVUVBWBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039017
N#Cc1cc(NCc2sc3c(n2)CCC3)cc(c1)F	MCULE-4067461946,EMOLS-id_318489579	273.329	HLJMJRAUBHLDPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039018
s1c2CCCc2nc1C(N)c1cc(c(F)cc1)C#N	PC-id_83343417	273.329	APHRXTZWJCMUAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039019
s1c2CCCc2nc1C(N)c1c(F)cc(cc1)C#N	PC-id_83343418	273.329	IFUXAZNWJLSMFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039020
c12CN(Cc1nn(CC1CCCC1)c2C#C)C(=O)OC	MCULE-7742210101,EMOLS-id_324360544	273.33	GAFSRRBYYSXEBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039021
c1(CN(Cc2ccco2)C(=O)C)c2CCCc2n(C)n1	PC-id_86266512,MCULE-5193677789,EMOLS-id_50145200	273.33	HZSTYFCNHNACEL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039022
CCc1nccn1CCNC(=O)c1occ2c1CCC2	EMOLS-id_319082625	273.33	HFBQPNCDIDALCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039023
CCC(c1ccc(cc1)OCc1nnc2n1CCC2)O	EMOLS-id_318917929	273.33	ZEQRFUIUNUQPIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039024
C[C@H](c1cnn(C)c1)N(C)C(=O)c1occ2c1CCC2	ZINC22_585082052	273.33	VWUAVUSKWUDSMS-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039025
CCOc1cc(ccc1OC)NC1CCn2c1ncc2	PC-id_145876994,MCULE-8997792568,EMOLS-id_316855963	273.33	QGPKMRSDIKFFPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039026
CCOc1cc(N[C@@H]2CCn3ccnc23)ccc1OC	ZINC22_294153164	273.33	QGPKMRSDIKFFPX-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039027
Cn1ncc(c1)C(N(C(=O)c1occ2c1CCC2)C)C	EMOLS-id_177230751,MCULE-4061129589	273.33	VWUAVUSKWUDSMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039028
CNC(c1nc2c([nH]1)COC2C)c1ccc(cc1)OC	PC-id_102970381	273.33	NTPJRFPEPTUSHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039029
COc1cc(cc(c1)OC)NC1CC(n2c1ncc2)C	MCULE-2237985391,EMOLS-id_317919928	273.33	OWEZXOKSEOVYFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039030
COc1cc(C)c(c(c1)C)OCc1nnc2n1CCC2	EMOLS-id_320237034,MCULE-9413958599	273.33	JWQXBLRFOFOUOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039031
COc1ccc(CN2Cc3[nH]nc(C(C)O)c3C2)cc1	EMOLS-id_316170593,PC-id_134714774,MCULE-5302203682	273.33	QBCLZGICLQYHQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039032
COc1cc(NC2CCn3c2ncc3)cc(c1C)OC	EMOLS-id_318275895,MCULE-2536871721	273.33	HERNTTRIOHDRQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039033
N#CCCN1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_316674591	273.33	DRWWGRFAVWKZJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039034
O=C(c1ccoc1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319640782	273.33	QDHJSTYCJBBMNS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039035
O=C(c1ccoc1C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319081922	273.33	DDDOODGUFXFNBA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039036
O=C(c1c(C)oc(c1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318975074	273.33	LTYNMXYBWYLXPY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039037
O=C(c1occ2c1CCC2)N1CCCC(C1)C1(C)N=N1	EMOLS-id_318882197	273.33	QBERLKMELZSWDC-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-039038
O=C(c1occ2c1CCC2)N1CCC(CC1)C1(C)N=N1	EMOLS-id_319529993	273.33	YGTBRUZPPBYYSI-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-039039
O=C(C(c1ccc(o1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320131153,MCULE-9835843649	273.33	NOSYOCWIEGQHNY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039040
O=C(CC(c1ccco1)C)NCc1cnc2n1CCC2	EMOLS-id_319451040	273.33	ULTFIASZQREAOK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039041
O=C(C(Cc1ccco1)C)NCc1cnc2n1CCC2	EMOLS-id_319715571	273.33	PJEICGZRUIREJO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039042
c1(CN(C)C(=O)C(C)n2cccn2)c2CCCc2[nH]n1	EMOLS-id_82728433,MCULE-2771860681,PC-id_119069248	273.334	NMPPQWCKWVEZGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039043
c1(C(=O)NCc2c(C)nn(C)c2C)c2CCCc2[nH]n1	MCULE-2226137457,EMOLS-id_323258034	273.334	BQIAMLHTIMNXGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039044
c1(C(=O)NCc2cnn(CC)c2C)c2CCCc2[nH]n1	PC-id_77097280,EMOLS-id_49898953,ZINC22_216450882,MCULE-9885292963	273.334	ZPDNAPQRAIEXHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039045
c1(C(=O)NCCn2c(C)cc(C)n2)c2CCCc2[nH]n1	MCULE-6937498368,EMOLS-id_323257781	273.334	ZVCGQVWIZMCXMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039046
Cc1cc(C[C@@H](C)NC(=O)c2n[nH]c3c2CCC3)n[nH]1	PC-id_97004649,ZINC22_84111452	273.334	LRWKRHFSJVCVKG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039047
Cc1cc(C[C@H](C)NC(=O)c2n[nH]c3c2CCC3)n[nH]1	ZINC22_84111454,PC-id_97004650	273.334	LRWKRHFSJVCVKG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039048
Cc1ccn(C[C@@H](C)NC(=O)c2n[nH]c3c2CCC3)n1	PC-id_51587015,ZINC22_19238035	273.334	YTQCVNIGHMXGMR-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039049
Cc1ccn(C[C@H](C)NC(=O)c2n[nH]c3c2CCC3)n1	ZINC22_19238034,PC-id_51587014	273.334	YTQCVNIGHMXGMR-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039050
Cc1cnn([C@@H]2[C@@H](N[C@H]3CCn4ccnc34)C[C@H]2O)c1	ZINC22_1875266313	273.334	IGYDUMNGDKEGAD-WUHRBBMRSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039051
Cc1cnn([C@@H]2[C@@H](N[C@@H]3CCn4ccnc34)C[C@H]2O)c1	ZINC22_1875266314	273.334	IGYDUMNGDKEGAD-YVECIDJPSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039052
Cc1ncn(c1)C(C(=O)N1Cc2c(C1)cnn2C)(C)C	EMOLS-id_258006845,MCULE-2212500071	273.334	OXZJSZJCWOCEBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039053
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCn2nccc12	ZINC22_573116331	273.334	DPQABNJUDOGRED-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039054
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCn2nccc12	ZINC22_573116332	273.334	DPQABNJUDOGRED-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-039055
CCc1cc(nn1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318803428	273.334	RGDGYVHDFCTLQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039056
CCc1cnc([nH]1)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319970147,MCULE-9696226073	273.334	NWASBICCGZULFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039057
CCc1c[nH]c(n1)CNC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319118747	273.334	YKFPOJDIDUHUTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039058
CCc1nccn1CCNC(=O)c1cnc2n1CCC2	MCULE-1062844342,EMOLS-id_320143664	273.334	XSAXTVBYTSZQJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039059
CCc1nccn1CCNC(=O)c1nn2c(c1)CCC2	EMOLS-id_318778805	273.334	GYYKZUSGMONZJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039060
CCc1n(C)ncc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319340809	273.334	BXLYQTIUOPJKCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039061
CCc1n(C)ncc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319067637	273.334	KJYIEHPLWPAWSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039062
CCc1[nH]cc(n1)CNC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319790841	273.334	CANFXTLCZDTHEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039063
CCCc1n[nH]c(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319865186	273.334	RPUITNMSJZZCQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039064
CC(CC(C(=O)N1CCn2c1ccn2)n1ccnc1)C	EMOLS-id_320125584,MCULE-4361417850	273.334	ODWXCOVMYXPFTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039065
CCC(C(=O)NC1CC(n2c1ncc2)C)n1cccn1	EMOLS-id_318871799	273.334	DJMPTSSZETXMFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039066
CC(Cn1cccn1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98410000	273.334	VFBCFCLXBUERAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039067
CCC(n1cccn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319011500	273.334	DXRSFSMIRVFFMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039068
CC(Cn1cccn1)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_232828323,MCULE-5709116014	273.334	SKWXZGOBJJKXBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039069
CCC(n1cncc1)C(=O)NC1CC(n2c1ncc2)C	MCULE-6027867251,EMOLS-id_320235916	273.334	SYXFPAWZYPRVHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039070
CCC(n1cncc1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319637201	273.334	XMEXBGUNNGKJKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039071
CCC(n1cncc1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_318898010	273.334	YLUFASVIBVJBNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039072
CCC(n1cncc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320336932,MCULE-3609584841	273.334	NSZBNOMOGPPNAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039073
CCCn1ncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318781115	273.334	LEXHLVUZIAAWTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039074
CCCn1ncc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318879743	273.334	YXYVUWPASOQAQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039075
CC(C)n1nc(Cn2cccn2)c2CN(Cc12)C(=O)C	EMOLS-id_313733590,ZINC22_2055717946	273.334	LPCXBJZEDFBEMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039076
CCCn1nnc(c1)CNC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319444773	273.334	UFRZVFZXJOGDMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039077
C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc2n(n1)CCC2	ZINC22_622653327	273.334	LIHXEKHOKCBSFM-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039078
C[C@H](Cc1cnn(C)c1)NC(=O)c1cc2n(n1)CCC2	ZINC22_622653328	273.334	LIHXEKHOKCBSFM-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039079
C[C@@H](Cn1cccn1)C(=O)NCc1n[nH]c2c1CCC2	ZINC22_827628091	273.334	SKWXZGOBJJKXBQ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039080
C[C@H](Cn1cccn1)C(=O)NCc1n[nH]c2c1CCC2	ZINC22_827628092	273.334	SKWXZGOBJJKXBQ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039081
C[C@@H](C(=O)N(C)Cc1n[nH]c2c1CCC2)n1cccn1	ZINC22_426563451	273.334	NMPPQWCKWVEZGK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039082
C[C@H](C(=O)N(C)Cc1n[nH]c2c1CCC2)n1cccn1	ZINC22_426563452	273.334	NMPPQWCKWVEZGK-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039083
C[C@@H](NC(=O)c1[nH]c2c(c1)CCC2)Cc1nnn(c1)C	EMOLS-id_318847819	273.334	APERQDSCGRMQEN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039084
CCn1cc([C@H](C)NC(=O)c2cc3n(n2)CCC3)cn1	ZINC22_296836381	273.334	FFLFENMSSZJGFM-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039085
CCn1cc([C@@H](C)NC(=O)c2cc3n(n2)CCC3)cn1	ZINC22_296836384	273.334	FFLFENMSSZJGFM-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039086
CCn1cc([C@H](C)NC(=O)c2cn3c(n2)CCC3)cn1	ZINC22_584608514	273.334	ROUFCSXLUCUHJU-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039087
CCn1cc([C@@H](C)NC(=O)c2cn3c(n2)CCC3)cn1	ZINC22_584608515	273.334	ROUFCSXLUCUHJU-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039088
CCn1ccc(n1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319171830	273.334	MWOWSPYDDPWYDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039089
CCn1ccc(n1)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319102409	273.334	ZJFUBATVULDSLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039090
CCn1ccnc1[C@H](C)NC(=O)c1cc2n(n1)CCC2	ZINC22_622084124	273.334	SDDODJNSDKCHKU-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039091
CCn1ccnc1[C@@H](C)NC(=O)c1cc2n(n1)CCC2	ZINC22_622084125	273.334	SDDODJNSDKCHKU-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039092
CCn1ccnc1C(NC(=O)c1nn2c(c1)CCC2)C	MCULE-8071903102,EMOLS-id_316955392	273.334	SDDODJNSDKCHKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039093
CCn1ncc(c1C)C(=O)Nc1n(C)nc2c1CCC2	MCULE-5660555714,EMOLS-id_320233247	273.334	QDWQLFIAHVPWIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039094
CCn1nc(cc1C)C(=O)Nc1n(C)nc2c1CCC2	PC-id_30859222,CoCoCo_5273066	273.334	JNDFRGVODUDZPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039095
CCn1nc(cc1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318958070	273.334	ICTNZDVYBKULEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039096
CCn1ncc(c1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_318993683	273.334	IABZHAWQVGHAPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039097
CCn1ncc(c1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319647172	273.334	SXXKTTIVHDLLHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039098
CCn1nc(cc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318954876	273.334	VWCPIHOUCFMXHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039099
CCn1ncc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320101756,MCULE-1943288713	273.334	YSYJQOXODHKJJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039100
CCn1ncc(c1)C(NC(=O)c1nc2n(c1)CCC2)C	MCULE-6690192640,EMOLS-id_316910760	273.334	ROUFCSXLUCUHJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039101
CCn1ncc(c1)C(NC(=O)c1nn2c(c1)CCC2)C	MCULE-6158461086,EMOLS-id_316885886	273.334	FFLFENMSSZJGFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039102
CCn1nc(cc1C(=O)Nc1n(C)nc2c1CCC2)C	PC-id_30859217,CoCoCo_5273064	273.334	ZCUHCGATFDYWFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039103
CCn1nc(cc1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319567531	273.334	KBTUJVPDHGPJKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039104
CCn1nc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318952603	273.334	XYPQTTGKHVNITC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039105
CC(NC(=O)c1nn2c(c1)CCC2)Cc1cnn(c1)C	MCULE-3283578540,EMOLS-id_316961801	273.334	LIHXEKHOKCBSFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039106
CC(NC(=O)c1n[nH]c2c1CCC2)Cc1n[nH]c(c1)C	MCULE-9929819600,EMOLS-id_44591458,PC-id_71847289	273.334	LRWKRHFSJVCVKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039107
CC(NC(=O)c1n[nH]c2c1CCC2)Cn1ccc(n1)C	LEG-20300879,PC-id_75680039,MCULE-6551391826	273.334	YTQCVNIGHMXGMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039108
CCOc1cc(nc(n1)C)NC1CC(n2c1ncc2)C	MCULE-7915254160,EMOLS-id_318188523	273.334	FTNMHOHKGBAIFI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039109
Cn1ncc(c1)C(C(=O)NCc1cnc2n1CCC2)C	MCULE-5280142168,EMOLS-id_320060117	273.334	IEHIYVOFGNFPFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039110
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccc[nH]1)C)C	CHEMBL3551510,PC-id_97405266	273.334	HSFREXQWOXPUEE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-039111
CN(C(=O)c1n(C)nc2c1CCC2)CCc1c[nH]cn1	EMOLS-id_319015746	273.334	ITWLYMYRARDMPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039112
COc1cccc(n1)CNC(c1nnc2n1CCC2)C	PC-id_103347644	273.334	BMKRDWXWOSDJOK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039113
COc1ccc(cn1)CNC(c1nnc2n1CCC2)C	PC-id_114936608	273.334	PLGOPFGELRLSSW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039114
COCc1nc(C)cc(=NCc2cc3n(n2)CCC3)[nH]1	ZINC22_606444540	273.334	BRDXJWCAWURXNG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039115
COCc1nc(cc(n1)C)NC1CC(n2c1ncc2)C	EMOLS-id_318284804,MCULE-6019005437	273.334	HROACOLBZDEWJQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039116
N#CCCN1CCN(CC1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319896406,MCULE-6939869504	273.334	HFSFYVBZCRSHBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039117
N#CCCN1CCN(CC1)C(=O)c1cnn2c1CCC2	MCULE-4199668654,EMOLS-id_320332899	273.334	AZUQPYAWERHBLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039118
N#CCCN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319495939	273.334	CPVZALSCQCUUNM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039119
Oc1c(nc(cc1)C)CNC(c1n2CCCc2nn1)C	PC-id_78928738	273.334	DOTWYSMUROHTDL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039120
O=c1nc(ccn1Cc1nnc2n1CCC2)C(C)(C)C	EMOLS-id_318773104	273.334	HHZAPUNPMTWEJE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039121
O=C(c1ccn(n1)C(C)C)NCc1n[nH]c2c1CCC2	MCULE-7972993755,EMOLS-id_320074534	273.334	SWPZYLZIXVXJML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039122
O=C(c1c(C)nn(c1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319576603	273.334	RKBRNQCCMIRXQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039123
O=C(c1cn2c(n1)CCC2)NCC(n1cccn1)(C)C	EMOLS-id_316484329	273.334	KCPYXQNCCRJEQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039124
O=C(c1cn2c(n1)CCC2)NCC(n1cncc1)(C)C	EMOLS-id_278446583	273.334	IPKWSTXSIIJNJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039125
O=C(c1cnc2n1CCC2)N1CCCC(C1)C1(C)N=N1	EMOLS-id_319755007	273.334	WTDPRSIZEHCRQY-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-039126
O=C(c1cnc2n1CCC2)N1CCC(CC1)C1(C)N=N1	EMOLS-id_319806054	273.334	YTLNHURXJRHLSB-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-039127
O=C(c1cnn2c1CCC2)N1CCCC(C1)C1(C)N=N1	EMOLS-id_319475633	273.334	VHNGZKOLVGGKJP-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-039128
O=C(c1cnn2c1CCC2)NCC(n1cccn1)(C)C	EMOLS-id_319369220	273.334	FSJMSXSWHFUFEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039129
O=C(c1cn(nc1C)C(C)C)NC1CCn2c1ncc2	EMOLS-id_316870080,MCULE-5555237153	273.334	GOGZBTDGZOFABS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039130
O=C(c1nc2n(c1)CCC2)NCc1c[nH]c(n1)C(C)C	EMOLS-id_319309369	273.334	YFZJMIMSNAESMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039131
O=C(c1nccn1C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318903883	273.334	BABNDQFVPNEUFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039132
O=C(c1nccn1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318805439	273.334	KPTMPIOSNABWGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039133
O=C(c1nccn1C(C)C)NCc1nn2c(c1)CCC2	EMOLS-id_319434112	273.334	VGFKLTWUTXCIMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039134
O=C(c1ncn(c1)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318965793	273.334	GSGDEDCUUFMJOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039135
O=C(c1ncn(c1)C(C)C)NCc1n[nH]c2c1CCC2	MCULE-8966160351,EMOLS-id_320168435	273.334	MDIIDITXOSZJNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039136
O=C(c1n(C)nc2c1CCC2)NCc1nc([nH]c1C)C	MCULE-9562852886,EMOLS-id_320227235	273.334	IWGYAUWFQJXJDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039137
O=C(c1n(C)nc2c1CCC2)NCc1[nH]nc(c1C)C	EMOLS-id_319470280	273.334	GJOAZTWQXOSHRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039138
O=C(c1n(C)nc2c1CCC2)NCC(c1ncc[nH]1)C	EMOLS-id_319678375	273.334	KPKFCNNWHPYIJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039139
O=C(c1[nH]cnc1C(C)(C)C)NC1CCn2c1ncc2	EMOLS-id_320317273,MCULE-6847325292	273.334	YOROUVVJBSLSNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039140
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)C1(C)N=N1	EMOLS-id_319494542	273.334	FAKYYHSPSNISDF-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-039141
O=C(c1nn2c(c1)CCC2)NCc1c[nH]c(n1)C(C)C	EMOLS-id_319142404	273.334	ZMBLXUPPJKFHIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039142
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)C1(C)N=N1	EMOLS-id_319797303	273.334	KIDKVLPFMCRIHL-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-039143
O=C(c1n[nH]c2c1CCC2)NCc1c[nH]c(n1)C(C)C	EMOLS-id_319797500	273.334	QTXYTQMLDDMPPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039144
O=C(c1n[nH]c2c1CCC2)NCC(n1cncc1)(C)C	MCULE-2389774082,EMOLS-id_258021866	273.334	NQMUSTYXSAGRDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039145
O=C(c1n[nH]c(c1)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318823720	273.334	JDNALTSXENVQAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039146
O=C(Cc1cnn(c1C)C)NCc1cnc2n1CCC2	EMOLS-id_319406982	273.334	ACUAXLQRVZIGJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039147
O=C(Cc1cnn(c1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318973313	273.334	RMFUGGKRZRQFEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039148
O=C(C(c1cnn(c1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319567241	273.334	RFIVWJWYZBVGRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039149
O=C(CCc1ccnn1C)NCc1cnc2n1CCC2	EMOLS-id_319484996	273.334	IEYRNUXFFPJBFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039150
O=C(CCc1cncn1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318848510	273.334	NWXSIOAIYTXMRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039151
O=C(CCc1[nH]cc(n1)C)NCc1nn2c(c1)CCC2	EMOLS-id_320029413,MCULE-8818245353	273.334	WWZANXPVCFHKRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039152
O=C(CCc1[nH]nc(c1)C)NCc1nn2c(c1)CCC2	EMOLS-id_319864714,MCULE-8615043720	273.334	XORWZHMMQYRVHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039153
O=C(CC(n1cccn1)C)NCc1cnc2n1CCC2	EMOLS-id_319286409	273.334	YPFBBQIFDRVJRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039154
O=C(CC(n1cccn1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320068663,MCULE-8900256378	273.334	YTBKWAHMJAHMPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039155
O=C(C(Cn1cncc1)C)NCc1cnc2n1CCC2	EMOLS-id_320077368,MCULE-6277620965	273.334	CWZWHKFREBSWEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039156
O=C(CC(n1cncc1)C)NCc1cnc2n1CCC2	EMOLS-id_320219200,MCULE-5043185226	273.334	YMGCIQHWEGVUFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039157
O=C(C(Cn1cncc1)C)NCc1nn2c(c1)CCC2	EMOLS-id_318862368	273.334	VPTPTTMWOCYRDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039158
O=C(C(Cn1cncc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318896806	273.334	RXGOLWVYKIGQRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039159
O=C(CC(n1cncc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319497440	273.334	ZTGOZPGHXXZHPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039160
O=C(CCn1ncc(c1)C)NCc1cnc2n1CCC2	EMOLS-id_319752750	273.334	UQFHPPAQHRQKMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039161
O=C(C(n1cccn1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318867452	273.334	VUEDLDJNMJHTPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039162
O=C(C(n1cccn1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319839798	273.334	WPAWWMGNBNCALI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039163
O=C(Cn1ccnc1C(C)C)NC1CCn2c1ncc2	EMOLS-id_316627420	273.334	QSPNUJNMYGXXBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039164
O[C@@H]1C[C@@H]([C@H]1n1ncc(c1)C)NC1CCn2c1ncc2	EMOLS-id_316770979,PC-id_145881417,MCULE-5672560293	273.334	IGYDUMNGDKEGAD-FJAVPRTDSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039165
O=C(N1Cc2c(C1)cnn2C)Cn1ccnc1C(C)C	EMOLS-id_318161177	273.334	HPHXEGDVBTXRIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039166
O=C(N1CCn2c1ccn2)CC(c1c(C)n[nH]c1C)C	MCULE-8902937147,EMOLS-id_324029186,PC-id_146087124	273.334	DPQABNJUDOGRED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039167
O=C(N1CCn2c1ncc2)c1cn(nc1C)C(C)(C)C	MCULE-8864401469,EMOLS-id_320143342	273.334	TYKJBFYLLSIZPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039168
O=C(NC1CCn2c1ncc2)Cc1ccn(n1)C(C)C	EMOLS-id_279121943	273.334	XZZOQKHHLUTVIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039169
O=C(NC1CC(n2c1ncc2)C)CCc1[nH]cc(n1)C	EMOLS-id_319411266	273.334	VOYPEVZTQCJHBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039170
O=C(NC1CC(n2c1ncc2)C)CCc1[nH]nc(c1)C	EMOLS-id_319783274	273.334	PVJJMGIFTQDPFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039171
O=C(Nc1n(C)nc2c1CCC2)CCc1nccn1C	EMOLS-id_319253557	273.334	XVUDJICNXHEABD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039172
O=C(Nc1n(C)nc2c1CCC2)CCc1[nH]cc(n1)C	MCULE-3251587446,EMOLS-id_320082062	273.334	KLHXFQXNYHHGCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039173
O=C(NCc1cnc2n1CCC2)CCc1ccn(n1)C	EMOLS-id_320133818,MCULE-4148928574	273.334	JJDLIFJIRHKDEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039174
O=C(NCc1cnc2n1CCC2)CCc1cnn(c1)C	EMOLS-id_318914569	273.334	WKQOUSHUNKTCAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039175
O=C(NCc1cnc2n1CCC2)CCc1[nH]cc(n1)C	EMOLS-id_318768629	273.334	HXUZMKUMUXFSRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039176
O=C(NCc1cnc2n1CCC2)CCc1[nH]nc(c1)C	EMOLS-id_319457698	273.334	AYBZXKUNUQJPHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039177
O=C(NCc1n[nH]c2c1CCC2)CCc1ccn(n1)C	EMOLS-id_319212332	273.334	DFZKJCKDSYAJKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039178
O=C(NCc1n[nH]c2c1CCC2)CCc1cnn(c1)C	EMOLS-id_319446147	273.334	QUZGFNWBWBHIGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039179
O=C(NCc1n[nH]c2c1CCC2)CCc1[nH]cc(n1)C	EMOLS-id_320080780,MCULE-4596398393	273.334	KKTJTVVZICNNNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039180
O=C(NCc1n[nH]c2c1CCC2)CCc1[nH]nc(c1)C	EMOLS-id_319958815,MCULE-5066434335	273.334	VDQZMMGYNGMJJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039181
O=C(NCCc1n2CCCc2nn1)C1(CCCC1)C#N	PC-id_60557188	273.334	XYVAFNLSRQXOFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039182
Fc1ccc(C(N)c2c3CCCc3oc2C(C)C)cc1	PC-id_83610302	273.345	FYBBWKMONJELBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039183
Fc1ccc(C(N)c2c3CCCc3oc2CCC)cc1	PC-id_83610374	273.345	DBRVFVOIWCZPJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039184
CC1CCc2c1c(CN)nn2Cc1cc(C)ccc1F	EMOLS-id_331011580,MCULE-9384954046	273.349	UGEDEMQFYGWVCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039185
CC1CCc2c1c(CN)nn2Cc1ccc(C)cc1F	EMOLS-id_331013371,MCULE-4357297427	273.349	MPUUNOBYHIEPIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039186
CC1CCc2c1c(CN)nn2Cc1cccc(C)c1F	MCULE-4968984175,EMOLS-id_331011836	273.349	LAXIXXRUSNIKMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039187
CC1CCc2c1c(CN)nn2Cc1ccc(C)c(F)c1	EMOLS-id_331013115,MCULE-4705367179	273.349	ONAUORVGGOKGTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039188
CC1CCc2c1c(CN)nn2Cc1cccc(F)c1C	MCULE-8585282327,EMOLS-id_331014140	273.349	HJKXONKQPCATLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039189
CC1CCc2c1c(CN)nn2Cc1ccc(F)cc1C	MCULE-2177209586,EMOLS-id_331013883	273.349	ZNBNDWASEZNGPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039190
CC1CCc2c1c(CN)nn2Cc1ccc(F)c(C)c1	EMOLS-id_331013627,MCULE-1480257859	273.349	AKDKJPOIIQAGNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039191
CC1CCc2c1c(CN)nn2Cc1cc(F)ccc1C	EMOLS-id_331010301,MCULE-3470848387	273.349	PFKNPVRROGOARY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039192
CC1CCc2nn(Cc3ccc(C)cc3F)c(CN)c12	EMOLS-id_330995126,MCULE-8749988064	273.349	XDUBCBDWIHRZEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039193
CC1CCc2nn(Cc3cc(C)ccc3F)c(CN)c12	EMOLS-id_330997430,MCULE-6874517941	273.349	AGPOXYDNCCXCAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039194
CC1CCc2nn(Cc3cccc(C)c3F)c(CN)c12	MCULE-5917322102,EMOLS-id_330997686	273.349	QHGWSARHDUPNPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039195
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(CN)c12	EMOLS-id_330994870,MCULE-6029346861	273.349	YCGBQELLSNQBJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039196
CC1CCc2nn(Cc3cccc(F)c3C)c(CN)c12	EMOLS-id_330995895,MCULE-5357632309	273.349	SQOUVLXMGIYHEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039197
CC1CCc2nn(Cc3ccc(F)cc3C)c(CN)c12	MCULE-5048415486,EMOLS-id_330995638	273.349	FGUUHNQIIPYTPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039198
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(CN)c12	MCULE-1037739344,EMOLS-id_330995382	273.349	LALUTNVHKKWALC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039199
CC1CCc2nn(Cc3cc(F)ccc3C)c(CN)c12	EMOLS-id_330996151,MCULE-9110494914	273.349	NIJRPHLXDMUOHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039200
Cc1ccc(c(c1)CCNC1CC(n2c1ncc2)C)F	EMOLS-id_317993801,MCULE-8157639414	273.349	QEOYLEIZUSXTAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039201
CC(c1cc2n(n1)CCC2)NCc1ccc(c(c1)C)F	EMOLS-id_318133648,MCULE-2057199182	273.349	XPAFHRSHIIBMQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039202
CC(c1ccc(c(c1)C)F)NCc1cc2n(n1)CCC2	MCULE-5436165897,EMOLS-id_318147339	273.349	ZZSOJAADYKNVKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039203
CC(c1ccc(c(c1)C)F)NCc1cnc2n1CCC2	EMOLS-id_318197088,MCULE-6442915977	273.349	XTMXAGIUPPNYTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039204
CC(c1ccc(c(c1)F)C)NCc1cc2n(n1)CCC2	MCULE-3479788975,EMOLS-id_318153323	273.349	SEFLSJGPRPCFPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039205
CC(c1ccc(c(c1)F)C)NCc1cnc2n1CCC2	EMOLS-id_317978516,MCULE-2553031308	273.349	QPZBRIZEEXMQIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039206
CC(c1ccccc1F)n1nc2CCC(C)c2c1CN	MCULE-2475915934,EMOLS-id_331000499	273.349	VXVJDGBZIUJABN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039207
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1N	EMOLS-id_331012012,MCULE-4092814386	273.349	CVFIYHGEJPXPKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039208
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1N	MCULE-1595133765,EMOLS-id_331012524	273.349	CMAQSRKWYFETSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039209
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1N	MCULE-3697500659,EMOLS-id_331012777	273.349	BJJMUBTVGDEDDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039210
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1N	MCULE-9105985419,EMOLS-id_331013037	273.349	ZXGOPBWYKBJJEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039211
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1N	EMOLS-id_331012521,MCULE-4702193772	273.349	JLDJBNGFFJDBTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039212
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1N	MCULE-8225021777,EMOLS-id_331012268	273.349	NDQINFVADSZTOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039213
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1N	EMOLS-id_331013035,MCULE-2107797372	273.349	GVDSVPGGLNLBFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039214
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1CN	EMOLS-id_330999729,MCULE-3026802038	273.349	JZZNYEXDKTUOLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039215
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1N	EMOLS-id_331013291,MCULE-5541818507	273.349	VLWHJQLAUQLTSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039216
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1N	MCULE-6929401178,EMOLS-id_331012781	273.349	ALQZVNOURDWABL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039217
CC(Cc1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_318212913,MCULE-9261113648	273.349	BMRGOOGZAZFETL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039218
C=C/C=CC=C(C1CC(c2n1nc(n2)C(C)C)F)/C=C	SCHEMBL20967667,PC-id_138605436	273.349	GHZHXFFEMUDGGE-HVTAIUIQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039219
C[C@@H](Cc1cccc(c1)F)NCc1n[nH]c2c1CCC2	PC-id_95190526	273.349	MPHUUOOBUFYVQY-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-039220
C[C@H](Cc1cccc(c1)F)NCc1n[nH]c2c1CCC2	PC-id_95190527	273.349	MPHUUOOBUFYVQY-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039221
CC(NC1CC(n2c1ncc2)C)Cc1ccc(cc1)F	MCULE-8221146118,EMOLS-id_317966482	273.349	FVKIGFVZACZDPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039222
Fc1ccc(c(c1)C)CCNC1CC(n2c1ncc2)C	EMOLS-id_317916793,MCULE-2321604705	273.349	ITPJGEDDMOWRPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039223
Fc1ccc(cc1)C(CNC1CC(n2c1ncc2)C)C	EMOLS-id_318088863,MCULE-2766129540	273.349	KDCRELBGQHMGTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039224
Fc1ccccc1C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_318100370,MCULE-2707006209	273.349	UDRWSFUSWVIMLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039225
Fc1ccc(cc1)C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_318102162,MCULE-5489968910	273.349	NYQREPOUGIAQCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039226
Fc1cccc(c1)C(CNC1CCn2c1ncc2)(C)C	MCULE-8114478060,EMOLS-id_318113695	273.349	UCJOOYBMLLUYBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039227
Fc1cccc(c1)C(NCc1cnc2n1CCC2)(C)C	MCULE-5472875059,EMOLS-id_318175331	273.349	NVTBPKRJPIYZDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039228
Fc1ccccc1C(NCc1cnc2n1CCC2)(C)C	MCULE-8294700255,EMOLS-id_318216396	273.349	NSOGHFIVAFZREL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039229
Fc1cc(CC(NCc2n[nH]c3c2CCC3)C)ccc1	PC-id_56702280	273.349	MPHUUOOBUFYVQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039230
C1C(C(=NOCc2ccccc2)c2c1scc2)CO	PC-id_88271532	273.35	BJOKBLQIFBLVCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039231
c1(C(=O)c2ccc(cc2)OC)c2CCCc2sc1N	EMOLS-id_46305823,CHEMBL58471,SCHEMBL134640,PC-id_28337440,MCULE-9851417032	273.35	MRUYXPQRFQGHEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039232
c1(C(=O)c2cccc(OC)c2)c2CCCc2sc1N	EMOLS-id_46218493,PC-id_28337444,MCULE-4243526539	273.35	QNZDATPYUFQDJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039233
Cc1nc2c(s1)CCC2C(=O)OCc1ccccc1	SCHEMBL20083659,PC-id_134448045	273.35	LTBOBKMFNYGXQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039234
CCOc1cncc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_113660617	273.35	UJBMRVCJYGHQJF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039235
COC1Cc2c(C1=NOCc1ccccc1)ccs2	PC-id_89192589	273.35	ADHOIFKWMYHHEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039236
COC1Cc2c(/C/1=N/OCc1ccccc1)ccs2	SCHEMBL13881172	273.35	ADHOIFKWMYHHEY-NXVVXOECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039237
COc1ccccc1C(=O)c1c(N)sc2CCCc12	EMOLS-id_336470689,PC-id_858789	273.35	JCSAZFJBXQHHGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039238
COc1ccccc1NC(=O)c1cc2c(s1)CCC2	MCULE-8366357258,EMOLS-id_31838087,ZINC22_9749238,PC-id_16353557	273.35	DAHYOBGQAQTYHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039239
Oc1ccc(cc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_115735374	273.35	XWEJVVIBYRFHFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039240
Oc1cccc(c1)N(C(=O)c1sc2c(c1)CCC2)C	PC-id_107736041	273.35	ACTJNJVJDZCYIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039241
OCC1Cc2c(/C/1=N/OCc1ccccc1)ccs2	SCHEMBL8262070	273.35	BJOKBLQIFBLVCG-FOCLMDBBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039242
O=C(c1sc2c(c1)CCC2)NCc1ccccc1O	PC-id_115735416	273.35	WCXUUFFNENPQCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039243
OC(=O)C1CCc2c1nc(s2)Cc1cccc(c1)C	PC-id_104287247	273.35	KAQRAQMYABJUOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039244
OC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1)C	PC-id_104287322	273.35	PJPACYMTRVGDGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039245
OC(=O)C1CCc2c1nc(s2)Cc1ccccc1C	PC-id_113395636	273.35	FJDQIYAORJIAAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039246
OC(=O)C1CCc2c1nc(s2)CCc1ccccc1	PC-id_113395617	273.35	CGTNIVYEPIKHHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039247
s1c2CCCc2cc1CNC(=O)Oc1ccccc1	PC-id_61941064	273.35	ANOLWOQODQJUER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039248
s1c2CCCc2cc1C(=O)Nc1c(cccc1)CO	PC-id_60653609	273.35	XQQYLSKLGYBMHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039249
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)CO	PC-id_64793733	273.35	VEEPBUARZLDTNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039250
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)CO	PC-id_9162848	273.35	NKLAALFZCMPXIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039251
s1c2CCCc2cc1C(=O)N(c1ccc(O)cc1)C	PC-id_28739150	273.35	NIHRCOXLSORMIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039252
CCCCCCCC(c1sc2c(c1)CCC2)NCC	PC-id_115832473	279.484	VNVVDIAFWJYEDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043785
s1c2CCCc2cc1C(=O)Nc1c(cc(O)cc1)C	PC-id_64491781	273.35	IYILSIGXMGDCLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039253
s1c2CCCc2cc1C(=O)Nc1cc(c(O)cc1)C	PC-id_81566034	273.35	DWXPIMADBARJDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039254
s1c2CCCc2cc1C(=O)Nc1ccc(OC)cc1	PC-id_8760309	273.35	CXRQTHRKMQZRGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039255
s1c2CCCc2cc1C(=O)Nc1c(c(O)ccc1)C	PC-id_64792885	273.35	ZFJNMRRKYSICFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039256
s1c2CCCc2cc1C(=O)Nc1cc(O)c(cc1)C	PC-id_64795134	273.35	KWLCDXLPMORIAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039257
s1c2CCCc2cc1C(=O)Nc1cc(OC)ccc1	PC-id_26914392	273.35	UDDBDCSBEXHHCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039258
s1c2CCCc2cc1C(=O)Nc1c(O)cc(cc1)C	PC-id_9369999	273.35	FMBHGAGKBRNUNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039259
s1c2CCCc2cc1C(=O)NCc1cc(O)ccc1	PC-id_54903875	273.35	JKAJBQPUWGNQQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039260
s1c2CCCc2cc1C(=O)NOCc1ccccc1	PC-id_9227397	273.35	MWGIEAYMLKWACW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039261
s1c2CCCc2nc1C(CC(=O)O)c1ccccc1	PC-id_82026650	273.35	FESLAGKGUURSIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039262
s1c2[C@H](NC(=O)c3ccccc3)[C@](O)(Cc2cc1)C	PC-id_21578632	273.35	PBWKZXAYOFPJSL-DZGCQCFKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039263
s1c2[C@H](OC(=O)C)C[C@H](N(CC#C)CC#C)c2cc1	PC-id_52915624	273.35	PSXKYGMZJNTDFD-UONOGXRCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039264
s1c2[C@@H](OC(=O)C)C[C@H](N(CC#C)CC#C)c2cc1	PC-id_52915625	273.35	PSXKYGMZJNTDFD-KBPBESRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039265
s1c2C(NC(=O)c3ccccc3)C(O)(Cc2cc1)C	PC-id_73803655	273.35	PBWKZXAYOFPJSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039266
s1c2C(OC(=O)C)CC(N(CC#C)CC#C)c2cc1	PC-id_75952577	273.35	PSXKYGMZJNTDFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039267
CCOC(CS(=O)(=O)N1CCn2c1ncc2)(C)C	EMOLS-id_319410802	273.352	RIAFDTSFIFCCGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039268
COC(C(C)C)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318193681	273.352	BAJYCGGBTLRURC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039269
ON1Cc2c(C1)nc(n2C(C)C)S(=O)(=O)C(C)C	SCHEMBL17380128,PC-id_118613872	273.352	UTUXRBVXFQJJIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039270
c12CN(Cc1sc(N)c2C(=O)N)Cc1ccccc1	PC-id_71777882,EMOLS-id_45814553,MCULE-1988748878	273.353	BPZZAYVNWDTYQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039271
c1(C(=O)Nc2cccc(SC)c2)c2CCCc2[nH]n1	EMOLS-id_323254207,MCULE-9348662348	273.353	WVPHYSPXJVQPQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039272
c1(C(=O)NCc2ccncc2)c2CCCc2sc1N	ZINC22_9239755,PC-id_17285011,TIMTEC523732,CoCoCo_6815126,EMOLS-id_3977123,MCULE-9162513854	273.353	WHWIJQCGLKXFBA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039273
c1(NC(=O)c2ccccc2C)n(C)nc2CSCc12	EMOLS-id_334568882,MCULE-6556578817	273.353	NCLUBSQGGHTSRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039274
c1(NC(=O)c2ccc(cc2)C)n(C)nc2CSCc12	MCULE-9718206765,EMOLS-id_334562484	273.353	BMYBNUGQEIFBSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039275
c1(NC(=O)c2cccc(C)c2)n(C)nc2CSCc12	EMOLS-id_334569137,MCULE-1010836085	273.353	VFEATKPMLRAEIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039276
c1(NC(=O)Cc2ccccc2)n(C)nc2CSCc12	EMOLS-id_334562997,MCULE-9771854343	273.353	LFNRZIVJRFAGIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039277
c1(NC(=O)CCc2ccccc2)sc2c(CNC2)n1	MCULE-7082071872,PC-id_82194036	273.353	RVRMZZLQVBTGHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039278
c1(NC(=O)C=Cc2cccs2)n(C)nc2CCCc12	PC-id_71961362,MCULE-1630533608	273.353	QMUSNXWSCFAITF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039279
Cc1cc(N)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104292126	273.353	RWAVQZZINQZBGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039280
Cc1ccnc(n1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319254064	273.353	JFWRNEUKLGAIDE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039281
Cc1ncccc1N(C)C(=O)c1nc2c(s1)CCC2	MCULE-7582928444,EMOLS-id_313158453,ZINC22_334878763	273.353	DEXABJQSIYCTPT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039282
C/C(=NNC(=O)c1cc2c(s1)CCC2)/c1ccc[nH]1	PC-id_135749613	273.353	DWMJKCJNILPZPF-CXUHLZMHSA-N	00000010110000000000000010000000000000000000000000000000	25-01-039283
Cn1nc2c(c1NC(=O)/C=C/c1cccs1)CCC2	CoCoCo_5273004,ZINC22_23135658,PC-id_30859099	273.353	QMUSNXWSCFAITF-BQYQJAHWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039284
CNc1ccc(cn1)NC(=O)c1sc2c(c1)CCC2	MCULE-6750875529,EMOLS-id_302761797,PC-id_121648573	273.353	ZFSVWGIGNANNKD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039285
n1c2CCCc2sc1CCNC(=O)c1ccccn1	MCULE-9414019050,PC-id_110461619,EMOLS-id_181141515	273.353	WTGQODVAULXRNJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039286
n1c2CCCc2sc1CCNC(=O)c1cccnc1	PC-id_110461658,EMOLS-id_181141676,MCULE-8071824561	273.353	HZSAPJKHVBLZTO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039287
n1c2CCCc2sc1CCNC(=O)c1ccncc1	MCULE-7525594772,EMOLS-id_181141842,PC-id_110461699	273.353	AWOCNKHJBPNACF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039288
Nc1cccc(n1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319626448	273.353	RJBBGZWYBZYBTK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039289
Nc1cnc(c(c1)C)NC(=O)c1sc2c(c1)CCC2	PC-id_112555475	273.353	USRPZWGRMHXJJJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039290
N#Cc1c(NC(=O)C(=C2CNC2)C)sc2c1CCC2	PC-id_116677291	273.353	NZCRMXSHJIBXPC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-039291
N#CCCN(CCC#N)C(=O)c1cc2c(s1)CCC2	MCULE-9531882097,PC-id_51185609,EMOLS-id_50293172,ZINC22_57027387	273.353	YBWQIYOBILGCID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039292
N[C@H](C(=O)Nc1sc2c(n1)CCC2)c1ccccc1	PC-id_104897720	273.353	KIACRHIGTNBIGD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039293
O=C(c1ncccc1N)NCc1sc2c(c1)CCC2	PC-id_104741932	273.353	HFWIBGKCHAGGFK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039294
O=C(c1sc2c(c1)CCC2)N1CC(C1)c1cc[nH]n1	EMOLS-id_319548566	273.353	FCTHVTPQNVFVDA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039295
O=C(c1sc2c(c1)CCC2)N1CC(C1)c1[nH]ccn1	EMOLS-id_318796453	273.353	QTDYJYKITPLXNU-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039296
O=C(c1sc2c(c1)CCC2)NC1(CC1)c1[nH]ccn1	EMOLS-id_318917139	273.353	NIQUWZBHBHBGKQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039297
O=C(c1sc2c(c1)CCC2)N(Cc1ncccn1)C	EMOLS-id_319040340	273.353	ONXCRYOZKNYTJS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039298
O=C(c1sc2c(c1)CCC2)NCCc1ncccn1	MCULE-1485489051,EMOLS-id_320194072	273.353	BPOSCXJIWHMDCD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039299
O=C(CCc1cccnc1)Nc1nc2c(s1)CCC2	ZINC22_25768419,CoCoCo_4458391,PC-id_33040096,MCULE-5372439435,EMOLS-id_31866078	273.353	AMDUNMMGYCNEJX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039300
O=C(Nc1n(C)nc2c1CCC2)/C=Cc1cccs1	CoCoCo_5273005	273.353	QMUSNXWSCFAITF-FPLPWBNLSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039301
O=C(Nc1sc2c(n1)CCC2)NCc1ccccc1	EMOLS-id_96827706,PC-id_103616000	273.353	XSUNUFJTRMZFIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039302
s1c2CCCc2cc1CNc1cc(ncc1)C(=O)N	PC-id_61208197	273.353	QEWJLIVUHWPCNW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039303
s1c2CCCc2cc1CNc1ncccc1C(=O)N	PC-id_61208392	273.353	CVZGBSGEFKBKCQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039304
s1c2CCCc2cc1CNc1ncc(cc1)C(=O)N	PC-id_78978383	273.353	UMYKWHRANVPSQK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039305
s1c2CCCc2cc1CNC(=O)c1ncc(N)cc1	PC-id_81317112	273.353	HWWRJRAABJFQNT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039306
s1c2CCCc2cc1C(=O)N(c1c(N)cncc1)C	PC-id_61357268	273.353	IHBODRWABRRTLT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039307
s1c2CCCc2cc1C(=O)Nc1ncc(N)c(c1)C	PC-id_61292788	273.353	ILBIJYRTOSLJFP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039308
s1c2CCCc2cc1C(=O)NNC(=C1N=CC=C1)C	PC-id_9462644	273.353	JUSNKFILJXOHKE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-039309
s1c2c(CCC2)c(c1NC(=O)C1CC(N)C=C1)C#N	PC-id_79208180	273.353	LWJQTCWIQFRNIS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-039310
s1c2c(CCC2)c(c1N)C(=O)NCc1cccnc1	PC-id_20109785	273.353	FUOQCKKSJHLFPN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039311
s1c2c(CCC2)c(c1N)C(=O)NCc1ncccc1	PC-id_20109784	273.353	UAXMPJZVSICEIK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039312
s1c2CCCc2nc1NC(=O)c1ccc(cc1)CN	PC-id_61512192	273.353	JCIRSLRQMJSLAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039313
s1c2CCCc2nc1NC(=O)c1c(cccc1N)C	PC-id_61507532	273.353	NYAUIYUPHQEYGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039314
s1c2CCCc2nc1NC(=O)c1c(ccc(N)c1)C	PC-id_61507450	273.353	PCOUTHPHXRDBNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039315
s1c2CCCc2nc1NC(=O)c1cc(c(N)cc1)C	PC-id_61507447	273.353	ICAPZATYCXXKDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039316
s1c2CCCc2nc1NC(=O)c1c(cc(N)cc1)C	PC-id_61828921	273.353	DOCCPHJPBCPCKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039317
s1c2CCCc2nc1NC(=O)c1ccc(NC)cc1	PC-id_62176680	273.353	YWTKCJOJGHBQEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039318
s1c2CCCc2nc1NC(=O)c1c(c(N)ccc1)C	PC-id_61507488	273.353	YIXWMNYZUFPTCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039319
s1c2CCCc2nc1NC(=O)c1cc(N)c(cc1)C	PC-id_61507531	273.353	WYDBHYJLUFNGMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039320
s1c2CCCc2nc1NC(=O)c1c(N)c(ccc1)C	PC-id_61507530	273.353	FTFFIPZRPUBOOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039321
s1c2CCCc2nc1NC(=O)c1c(N)ccc(c1)C	PC-id_62059043	273.353	HKEOGRVWPHPJPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039322
s1c2CCCc2nc1NC(=O)c1c(N)cc(cc1)C	PC-id_80271581	273.353	AICOWDXSRRQSJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039323
s1c2CCCc2nc1NC(=O)c1c(NC)cccc1	PC-id_61511835	273.353	QECRMMVOQFBDFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039324
s1c2CCCc2nc1NC(=O)Cc1ccc(N)cc1	PC-id_61507490	273.353	OFJLXCSQUDWPCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039325
s1c2CCCc2nc1NC(=O)Cc1cc(N)ccc1	PC-id_62498706	273.353	GBWNMEWLOHCEPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039326
s1c2CCCc2nc1NC(=O)Cc1c(N)cccc1	PC-id_61507489	273.353	MJZYTTNOTKNSGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039327
s1c2CCCc2nc1NC(=O)[C@H](N)c1ccccc1	PC-id_61512003	273.353	KIACRHIGTNBIGD-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039328
s1c2CCCc2nc1NC(=O)C(N)c1ccccc1	PC-id_61511677	273.353	KIACRHIGTNBIGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039329
s1c2CCCc2nc1NC(=O)CNc1ccccc1	PC-id_61511785	273.353	IBJUXFHJJWARDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039330
s1c2CNCc2nc1NC(=O)c1cc(c(cc1)C)C	PC-id_82194074	273.353	JCUHANQDLWXTSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039331
s1c2CN(Cc2nc1N)C(=O)c1cc(c(cc1)C)C	PC-id_82194185	273.353	QQUAQNJUXVZLQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039332
s1c2CN(Cc2nc1N)C(=O)CCc1ccccc1	PC-id_82194149	273.353	JNTUKNLAKVIQLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039333
S1c2n(nc(n2)CCCc2ccc(cc2)C)C(=O)C1	PC-id_82358014	273.353	WZWRFMLLDTUFEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039334
CCCNS(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_111683064	273.355	NPAYDBIHXKTPKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039335
CC(NS(=O)(=O)NC(c1nnc2n1CCC2)C)C	EMOLS-id_110901194	273.355	WEYXQNBCDWMULE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039336
CCN(S(=O)(=O)NC(c1nnc2n1CCC2)C)C	EMOLS-id_111268911	273.355	SPFIXARJUGUUAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039337
N#Cc1ccc(s1)CNC(c1nnc2n1CCC2)C	PC-id_115675535	273.357	WMHXXJOEOGCTBP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039338
s1c(CNC(c2n3CCCc3nn2)C)cc(c1)C#N	PC-id_79545120	273.357	MZYWQVVQCDLFKP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039339
CC(C)C(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_134689174	273.372	YYWCYQNSLZXWEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039340
CC[C@H](NC(=O)c1sc2c(c1)CS(=O)(=O)C2)C	CoCoCo_2175341	273.372	SBURYSYJXCBGAD-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039341
CC[C@@H](NC(=O)c1sc2c(c1)CS(=O)(=O)C2)C	CoCoCo_2175342	273.372	SBURYSYJXCBGAD-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039342
CCC(NC(=O)c1sc2c(c1)CS(=O)(=O)C2)C	PC-id_20882715,ChEMBL-DNDi_CHEMBLC771-0031	273.372	SBURYSYJXCBGAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039343
COC(CNC(=O)c1sc2c(c1)CSC2)OC	EMOLS-id_11071726,CK3036816,MCULE-7507811439,CoCoCo_2684435,PC-id_4057147	273.372	DCVFEHLQIHDGDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039344
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)C(C)C	EMOLS-id_111459341	273.372	ULFOFFZNJYSPPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039345
OC(=O)CSc1nc2c(s1)C(OC2(C)C)(C)C	EMOLS-id_315476009,PC-id_79927753	273.372	ZKDYZUWKVFTPRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039346
c1(C(=O)NC2CC2)c2CCCc2nn1CC1CCCC1	EMOLS-id_324393297,MCULE-8837972487	273.373	OMYCAXYVRWPGHL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-039347
c1(C(=O)NCCC2=CCCCC2)c2CCCc2n(C)n1	EMOLS-id_179745019,PC-id_110388984,MCULE-5833929606	273.373	DRFHJCQARMBTJV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039348
O=C(C1CC1C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319352405	273.373	BKGSQAHVMQKOSF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039349
O=C(C1CC1C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319465626	273.373	LGORNJWBXPPTGK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039350
O=C(c1cc2n(n1)CCC2)N1CC(C1)C1CCCCC1	EMOLS-id_102800435	273.373	CIMZMBWNIFWTLP-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-039351
O=C(c1cc2n(n1)CCC2)N1CCC[C@H]1C1CCCC1	ZINC22_294648473	273.373	VMNIQVTYKBTLOV-HNNXBMFYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039352
O=C(c1cc2n(n1)CCC2)N1CCC[C@@H]1C1CCCC1	ZINC22_294648477	273.373	VMNIQVTYKBTLOV-OAHLLOKOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039353
O=C(C1(CCC1)C1CCC1)NCc1cnc2n1CCC2	EMOLS-id_318856585	273.373	LHPIMIWOLSAOFF-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039354
O=C(C1(CCC1)C1CCC1)NCc1n[nH]c2c1CCC2	MCULE-2779311938,EMOLS-id_320254370	273.373	IVJVNNFJBPFKKW-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039355
O=C(C1CCC(=C(C1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319088457	273.373	MDDWFRVEMXKDFF-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039356
O=C(C1CC[C@@H]2[C@H](CC1)C2)NCc1cnc2n1CCC2	EMOLS-id_319808315	273.373	QQCSZNXMOZGTPA-YHWZYXNKSA-N	00100010100000000101010010000000000000000000000000000000	25-01-039357
O=C(c1cn2c(n1)CCC2)N1CCC(C1)C1CCCC1	EMOLS-id_102947246	273.373	HGFFOPUEPWSVLJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039358
O=C(c1cnn2c1CCC2)N1CC(C1)C1CCCCC1	EMOLS-id_102800441	273.373	OWMPMDGGQHSZGD-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-039359
O=C(c1cnn2c1CCC2)N1CCCC1C1CCCC1	EMOLS-id_102786738	273.373	ASZACFUTJYIIRY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039360
O=C(c1nn2c(c1)CCC2)N1CCC(C1)C1CCCC1	EMOLS-id_102892723	273.373	APIOQBXSNMUYNU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039361
O=C(c1n[nH]c2c1CCC2)N1CC(C1)C1CCCCC1	EMOLS-id_102423998	273.373	GEQINBNAPVNYRN-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-039362
O=C(c1n[nH]c2c1CCC2)N1CCCC1C1CCCC1	EMOLS-id_102354573	273.373	WUJANLGUPVWENC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039363
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)C1CCCC1	EMOLS-id_102888520	273.373	PGWFGGFRNAPCHY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039364
O=C(c1n[nH]c2c1CCC2)NC1CC1C1CCCCC1	EMOLS-id_99630114	273.373	LNFMTYUMFLBDNM-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-039365
O=C(c1n[nH]c2c1CCC2)NCC1(CCC1)C1CCC1	EMOLS-id_101501529	273.373	ZHPYBXVLTMIZNT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039366
O=C(c1n[nH]c2c1CCC2)NCCC1=CCCCCC1	EMOLS-id_99777063	273.373	IQEJBUTYSUUKHB-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-039367
O=C(c1n[nH]c2c1CCC2)N[C@@H]1C[C@H]1C1CCCCC1	EMOLS-id_99937827	273.373	LNFMTYUMFLBDNM-GXTWGEPZSA-N	00100010100010000001100010000000000000000000000000000000	25-01-039368
O=C(N1CCCC1C1CCCC1)c1nn2c(c1)CCC2	EMOLS-id_102786729,MCULE-2736007510	273.373	VMNIQVTYKBTLOV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-039369
s1c2CCCc2cc1C(=O)C(c1sccc1)C#N	PC-id_55079275	273.373	GLACMSHCSWKUNX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-039370
O=S(=O)(C1CCNC1)Nc1sc2c(n1)CCC2	PC-id_114285104	273.375	DTHREWSBEFYHOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039371
O=S(=O)(c1cnc2n1CCC2)N1CCSCC1	EMOLS-id_100182294	273.375	LDHSVMHCYXFNCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039372
S1c2n(CC1)cc(n2)CCNS(=O)(=O)CC=C	PC-id_7640567	273.375	STZMHGOEESYLHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039373
Cc1cc(C)n(C[C@H](C)NCc2n[nH]c3c2CCC3)n1	PC-id_95207643,ZINC22_67743081	273.377	YVCQDDOWOYOPJL-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-039374
Cc1cc(C)n(C[C@@H](C)NCc2n[nH]c3c2CCC3)n1	ZINC22_67743080,PC-id_95207642	273.377	YVCQDDOWOYOPJL-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039375
CC(c1nn2c(c1)CCC2)Nc1cnn(c1)C(C)(C)C	EMOLS-id_318494891,MCULE-7758397379	273.377	QXTCGFDFHIQLAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039376
CC(Cn1ncc(c1C)NC1CC(n2c1ncc2)C)C	EMOLS-id_318211921,MCULE-8716112136	273.377	ARHDXTFBYQNQRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039377
CCC(n1ncc(c1C)NC1CC(n2c1ncc2)C)C	MCULE-4501318135,EMOLS-id_318005338	273.377	BIHJUCPRDHDQKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039378
CC(Cn1nc(C)cc1C)NCc1n[nH]c2CCCc12	PC-id_56714327,MCULE-8581406665,EMOLS-id_36448855	273.377	YVCQDDOWOYOPJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039379
n12CCCc1nnc2C(NCc1c(n(c(c1)C)C)C)C	PC-id_62474950	273.377	FMHYVGKXEDDNKI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-039380
n12CCCc1nnc2C(NCc1cn(CCC)cc1)C	PC-id_66414370	273.377	WJOJDACOHYVLRJ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-039381
n12CCCc1nnc2C(NCc1n(CCC)ccc1)C	PC-id_66412534	273.377	NZEFYHPQVIWNNL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-039382
N(C1CCN(CC1)CC#C)C(c1n2CCCc2nn1)C	PC-id_43791511	273.377	NYWOLNOFPNAJTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039383
N#CCN1CCC(CC1)CNC1CC(n2c1ncc2)C	EMOLS-id_319931750,MCULE-6722128638	273.377	WUZCUGOAHTZIST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039384
CCc1ccc(nc1)CC(c1sc2c(c1)CCC2)O	PC-id_115822207	273.393	FPWCVKNKLYTZTH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039385
CCOc1cccc(c1)C(c1sc2c(c1)CCC2)N	PC-id_105022184	273.393	VOYBHELJFKAVFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039386
CCOc1ccccc1C(c1sc2c(c1)CCC2)N	PC-id_115853575	273.393	YSBZGXMXDGNIMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039387
COc1cccc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_115785198	273.393	COZXVMDWECLDKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039388
COc1ccccc1C(c1sc2c(c1)CCC2)NC	PC-id_115792464	273.393	PZPJSROGSDYDTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039389
Oc1c(CNCc2sc3c(c2)CCC3)cccc1C	PC-id_112554713	273.393	PVHKIDNALVRKAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039390
OCc1ccc(cc1)CNCc1sc2c(c1)CCC2	PC-id_104016435	273.393	SWQVABGGLBURIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039391
OC(c1nc2c(s1)C(CC2C)(C)C)c1ccccc1	PC-id_106664120	273.393	FWMFTTSJTNQGDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039392
s1c2c(CCC2)cc1C(N)c1c(cc(OC)cc1)C	PC-id_43464450	273.393	GWIDDWZVDMMPBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039393
s1c2c(CCC2)cc1C(N)c1cc(c(OC)cc1)C	PC-id_43464848	273.393	ZZRYEDRETWHSLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039394
s1c2c(CCC2)cc1C(N)c1ccc(OCC)cc1	PC-id_43464035	273.393	UZLQXHZKSCZMMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039395
s1c2c(CCC2)cc1C(N)c1c(OC)ccc(c1)C	PC-id_43626115	273.393	MIEKNIBURTUAJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039396
s1c2c(CCC2)cc1CNCc1cc(ccc1O)C	PC-id_63324694	273.393	ZZEGCIQHECRIQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039397
s1c2c(CCC2)cc1CNC(c1ccc(O)cc1)C	PC-id_61207210	273.393	KIEFOIFOKWGMCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039398
s1c2c(CCC2)cc1C(NC)c1ccc(OC)cc1	PC-id_43481598	273.393	ARLLZJUFNAZOLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039399
s1c2c(CCC2)cc1C(N)Cc1ccc(OC)cc1	PC-id_61079800	273.393	XGIHOPUVQFXDKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039400
s1c2CCCc2cc1CNCc1ccc(OC)cc1	PC-id_61208540	273.393	JJRONEUHFXYMNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039401
s1c2c(CCC2)cc1CNC(c1cc(O)ccc1)C	PC-id_61206832	273.393	MROWZSWGTQNTLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039402
s1c2c(CCC2)cc1C(N)Cc1cc(OC)ccc1	PC-id_61079442	273.393	KHCYIMKWIBHRIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039403
s1c2CCCc2cc1CNCc1cc(OC)ccc1	PC-id_61209312	273.393	GAEICOBIKJAOPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039404
s1c2c(CCC2)cc1CNC(c1c(O)cccc1)C	PC-id_61207580	273.393	LOVFNFZJMPWHHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039405
s1c2c(CCC2)cc1C(N)Cc1c(OC)cccc1	PC-id_61079447	273.393	BTROISLBVOSZLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039406
s1c2c(CCC2)cc1CNCc1c(OC)cccc1	PC-id_61209500	273.393	DXACSXHBWZZPEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039407
s1c2c(CCC2)cc1CNCC(O)c1ccccc1	PC-id_61207979	273.393	GGVLZHJRTYNGGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039408
s1c2CCCc2cc1CNCCOc1ccccc1	PC-id_61673757	273.393	PPRUCLGRKWUAQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039409
s1c2c(CCC2)cc1C(O)C(CN)c1ccccc1	PC-id_65186293	273.393	TVXAWOFHZFDMPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039410
s1cc(C(=O)c2n3c(CCC3)c(c2CC)CC)cc1	PC-id_53765470	273.393	DKYKCRQELPZFFP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-039411
s1c(C(=O)c2n3c(CCC3)c(c2CC)CC)ccc1	PC-id_53713821	273.393	CCINVJZROUVSDA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-039412
Cc1cc(CNCc2sc3c(n2)CCC3)cc(n1)C	MCULE-4378591381,EMOLS-id_318117895	273.396	RJHUIRDDEWZCAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039413
CCc1ccc(nc1NCc1sc2c(n1)CCC2)C	EMOLS-id_318377994,MCULE-6298424587	273.396	MUTTVIGKQLDNCJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039414
CC(c1cnccc1C)NCc1sc2c(n1)CCC2	EMOLS-id_318275770,MCULE-6866934995	273.396	ARSUFMXBVRKGII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039415
CC(c1nccnc1C)NCc1sc2c(c1)CCC2	PC-id_102612668	273.396	WCTFHSAYLAZEPS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039416
CCCNC(c1sc2c(c1)CCC2)c1cncnc1	PC-id_115827103	273.396	SJKDPXAWKVQBTO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039417
CCCNC(c1sc2c(c1)CCC2)c1nccnc1	PC-id_115860376	273.396	CMRQJFPZFQXIFD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039418
C[C@@H](c1cccnc1)N(C)Cc1nc2c(s1)CCC2	ZINC22_97113717,PC-id_97826554	273.396	IAMBFCQTXPYVOH-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-039419
C[C@H](c1cccnc1)N(C)Cc1nc2c(s1)CCC2	ZINC22_97113718,PC-id_97826555	273.396	IAMBFCQTXPYVOH-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039420
CCNC(c1sc2c(n1)CCC2)c1ccc(nc1)C	PC-id_104822881	273.396	QZOKJXSKBOPIQT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039421
CC(N(Cc1sc2c(n1)CCC2)C)c1cccnc1	PC-id_75505299,EMOLS-id_49314673,MCULE-5628462978	273.396	IAMBFCQTXPYVOH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039422
CN(CCc1ccncc1)Cc1nc2c(s1)CCC2	PC-id_86790289,EMOLS-id_49936200,MCULE-4880194745,ZINC22_97375322	273.396	LXKBBPYAWAKUHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039423
s1c2CCCc2cc1CNc1nc(nc(c1)CC)C	PC-id_65691075	273.396	OCPSCYALPJKIFA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039424
s1c2CCCc2cc1CNc1ncnc(C(C)C)c1	PC-id_61242097	273.396	NMGWZPOFGCXODM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039425
s1c2CCCc2cc1CNc1ncnc(CCC)c1	PC-id_61242267	273.396	KFBVMNKRRDMDCI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039426
s1c2c(CCC2)cc1CNCc1n(C2CC2)cnc1	PC-id_66162540	273.396	FWMKKBDIFLRPRI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039427
s1c2CCCc2nc1C(N)c1ccc(N(C)C)cc1	PC-id_61332866	273.396	FOZIZSNMKAEAIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039428
s1c2CCCc2nc1C(NCC)c1c(ccnc1)C	PC-id_81742122	273.396	CCTDQGUCZDYUSD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039429
s1c2CCCc2nc1C(NCCC)c1cccnc1	PC-id_61333810	273.396	NNHJUTCVFKVUML-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039430
s1c2CCCc2nc1C(NC(C)C)c1cccnc1	PC-id_61335813	273.396	IIQULFMXSMDBRN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039431
S(C1=C(C(=N)n2c(c(cc12)CC)CCC)C#N)CC	PC-id_86054922	273.396	IPAKNDXINNSSKN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-039432
CCCC1(CN(C)C)Cc2c(S1(=O)=O)scc2	PC-id_19759889,SCHEMBL9458922	273.415	FQNPUNPTVFYPHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039433
CC(CS(=O)(=O)C)NCc1sc2c(c1)CCC2	EMOLS-id_40663497,PC-id_64631783	273.415	ULUMXUJYEVTPBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039434
CCN(CC1c2ccsc2S(=O)(=O)C1C)CC	SCHEMBL9459283,PC-id_19759873	273.415	QBEZBXJHFXGFJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039435
CCN(CC1(C)Cc2c(S1(=O)=O)scc2)CC	PC-id_19759886,SCHEMBL9458831	273.415	MITDXSYNOLMMBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039436
CCS(=O)(=O)CCNCc1sc2c(c1)CCC2	EMOLS-id_38138661,PC-id_61207243	273.415	XTAKOFFOSZWSBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039437
CNC(c1sc2c(c1)CCC2)CCS(=O)(=O)C	PC-id_115848085	273.415	YDQYMRLMSHPSKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039438
CO[C@@H](C(C)(C)C)CN1Cc2c(S1=O)ccs2	PC-id_143353134	273.415	DOCTYDGCVFJWHX-VCQTYVLVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039439
CS(=O)(=O)CCCNCc1sc2c(c1)CCC2	EMOLS-id_39649641,PC-id_63190990	273.415	ZQGRJDRKAOUGOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039440
NC(c1sc2c(c1)CCC2)CCCS(=O)(=O)C	PC-id_115820296	273.415	GVOKQQXRDREVFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039441
C1Cn2c(ccc2C(=O)c2ccccc2)C1C(=O)Cl	PC-id_89544995,SCHEMBL16178579	273.714	OLAPGMPUCKRTEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039442
Clc1c2n(CCC2C(=O)c2ccccc2)c(c1)C=O	PC-id_56934521	273.714	LOTPNDOKFGNGLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039443
Clc1ccc(cc1)C(=O)c1ccc2n1[C@H](C)CC2=O	PC-id_95987770	273.714	FYNTYZNVFQFLLO-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039444
Clc1ccc(cc1)C(=O)c1ccc2n1[C@@H](C)CC2=O	PC-id_95987771	273.714	FYNTYZNVFQFLLO-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-039445
Clc1ccc(C(=O)c2n3C(CC(=O)c3cc2)C)cc1	PC-id_56689892	273.714	FYNTYZNVFQFLLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039446
c1(NC(=O)CCl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_841927,TIMTEC331044,MCULE-2474883062,CoCoCo_187547,SPECS-id_AN-153/I164726,BAS-01292306,PC-id_3129645	273.736	NGXDJCBKQZVJSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039447
ClCCC(=O)NC(=O)Nc1sc2CCCc2n1	EMOLS-id_38357881,PC-id_54963651	273.739	NNDULBGGAOFOJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039448
ClC(C(=O)NC(=O)Nc1sc2CCCc2n1)C	EMOLS-id_38357879,PC-id_54963603	273.739	JISVXAMGXWCAFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039449
Cc1ccc(cc1)C(=O)c1c(C)c(c2n1CCC2)Cl	PC-id_145801689	273.757	UHCQEDBSVCBWNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039450
Clc1ccc(cc1)C1(CC1)NC1CCn2c1ncc2	MCULE-4789132306,EMOLS-id_318224308	273.761	WCSPZYAAPLQWPI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-039451
Clc1cccc(c1)C1(CC1)NC1CCn2c1ncc2	MCULE-7198636150,EMOLS-id_318118545	273.761	WDLKWVUIQUVDCE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-039452
c12c(CCl)csc1CN(C(=O)OC(C)(C)C)C2	EMOLS-id_331064354,MCULE-6041682322	273.779	PDXNGEJSZUPCSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039453
CCOC(=O)CCNC1CCc2c1cc(s2)Cl	EMOLS-id_315605887,PC-id_81251967	273.779	NPWGDWYIMQDLTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039454
Clc1sc2c(c1)C(CC2)NCC1(O)COCC1	PC-id_103904896	273.779	XAQNUQVDQJSRTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039455
Clc1sc2c(C(NCC3OCCOC3)CC2)c1	PC-id_81252068	273.779	IIXMMUSLPIHKQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039456
Clc1sc2c(C(NC(C(C)C)C(=O)O)CC2)c1	PC-id_81251618	273.779	FESBZJWFACZSSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039457
Clc1sc2c(C(NCCCC(=O)OC)CC2)c1	EMOLS-id_315039549,PC-id_81252064	273.779	RVAMXKWDOFQGBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039458
Clc1sc2c(C(NC(C)(C)C(=O)OC)CC2)c1	PC-id_81252999	273.779	JWHRBINOWJWOAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039459
Clc1sc2c(C(NC(C)C(=O)OCC)CC2)c1	PC-id_81251616	273.779	OGWSOFWHXXVYFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039460
ClCCOCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_315154036,PC-id_114297568	273.779	HZUWUYMRUGXARW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039461
COCC(CNC(=O)c1sc2c(c1)CCC2)Cl	EMOLS-id_314345044,PC-id_114298734	273.779	MLPABLCIXGEFHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039462
COCC(NC(=O)c1sc2c(c1)CCC2)CCl	PC-id_106182897	273.779	VTWVCDYWNUFJJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039463
Clc1sc2CCC(Nc3cc(ccc3)C#C)c2c1	PC-id_81251703	273.78	WPBOGRPUUNDSGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039464
CC(CCC)(CNC1CCc2c1cc(s2)Cl)O	PC-id_114169176	273.822	DTXSNVQHSBTOEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039465
CCC(CNC1CCc2c1cc(s2)Cl)(CC)O	PC-id_81251325,EMOLS-id_314848649	273.822	OYCGMUHJIFAOFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039466
CCCCOCCNC1CCc2c1cc(s2)Cl	PC-id_81252696,EMOLS-id_315605119	273.822	VEDNODZEVHKUOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039467
CC(CO)CCCNC1CCc2c1cc(s2)Cl	PC-id_103905563	273.822	UANJXIKRIRAZKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039468
CCCOCCCNC1CCc2c1cc(s2)Cl	PC-id_82941235,EMOLS-id_314844194	273.822	ZDJAXAVJPMEQMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039469
CC(COCCNC1CCc2c1cc(s2)Cl)C	PC-id_115888828,EMOLS-id_314516046	273.822	ZVCCXJUIGKIYRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039470
CC(OCCCNC1CCc2c1cc(s2)Cl)C	EMOLS-id_315608446,PC-id_81251941	273.822	VYVJLFKEQHXNCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039471
CCOC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_114940733	273.822	IAYUJFNFZOSOBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039472
Clc1sc2c(C(NC(CC(C)C)CO)CC2)c1	PC-id_81251963	273.822	RBBCBWSPTGQIOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039473
Clc1sc2c(C(NC(CCC)COC)CC2)c1	PC-id_81252709	273.822	QHVWXNFGZXOENR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039474
Clc1sc2c(C(NC(C(C)C)COC)CC2)c1	PC-id_81252814	273.822	NPEHUDHNKXOFEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039475
Clc1sc2c(C(NCC(CCO)CC)CC2)c1	PC-id_81251869	273.822	OHTXGNVMKHHNTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039476
COCCCCCNC1CCc2c1cc(s2)Cl	PC-id_105931027	273.822	VOPZFQZEMQVGBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039477
OC(CC(C)C)CNC1CCc2c1cc(s2)Cl	PC-id_103902390	273.822	CWJVMPCLBXVUKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039478
OCCCCCCNC1CCc2c1cc(s2)Cl	PC-id_103922235	273.822	YCOCWCFGTFAMQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039479
OCCC(C(C)C)NC1CCc2c1cc(s2)Cl	PC-id_104955423	273.822	JWVJLMZPGLVGMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039480
OCCC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_114149404	273.822	JTOFVUYWKMZVSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039481
Clc1cc2c(s1)CCC2NCCSCC=C	PC-id_115889071	273.845	MQKKPYNVLPLNMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039482
Clc1sc2c(c1)C(CC2)NC1CCCSC1	PC-id_116308501	273.845	WUNBVPAMJFQPJC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-039483
Clc1sc2c(c1)C(CC2)NCC1CSCC1	PC-id_107295272	273.845	QGWYTWHBBUEKKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039485
Clc1sc2c(C(NCC3SCCC3)CC2)c1	PC-id_81252613	273.845	XAIAVQUCBXYMIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039486
CSC1(CC1)CNC1CCc2c1cc(s2)Cl	PC-id_107270099	273.845	UIBXRADZIKOBCM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-039487
O=C1N(Cl)c2c(C1=O)n(c(c2Cl)Cl)Cl	PC-id_140256845	273.888	RYWCANQZBVJGGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039488
CC(=C1C(=C(C#N)C#N)C2=C(C1=O)C(=CS2)Cl)C	PC-id_155267951	273.997	RGYWSBBBTCUHPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039489
CC(=C1C(=C(C#N)C#N)C2=C(C1=O)SC=C2Cl)C	PC-id_155268157	273.997	ICOYDOYKTYBAHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039490
CC(=C1C(=C(C#N)C#N)C2=C(SC=C2C1=O)Cl)C	PC-id_155267948	273.997	YUDVVGIWMDYVKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039491
CC(=C1C(=C(C#N)C#N)C2=CSC(=C2C1=O)Cl)C	PC-id_155268159	273.997	VGOVPMCKZPTQBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039492
CC1=CSC2=C1C(=O)C(=CC3=CC=C(C=C3)Cl)C2	PC-id_165342219	274.022	XWSZRXBEFXZXJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039493
CC1=CN=C(N1)/C=C/C3=C(NC2=O)SC(=C3)C(=O)N	PC-id_153775828	274.052	WCHZYTNYPRBCAU-UTCJRWHESA-N	00000010100000000001000010000000000000000000000000000000	25-01-039494
CC1=NSC(=C1C#N)NC(=O)N2CCN3C2=NC=C3	PC-id_154800589	274.064	KRTIZERRRVILSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039495
Brc1cc2n(CCC2(C(=O)O)C(=O)O)c1	SCHEMBL11072778,PC-id_70506734	274.068	GBHYRPFLKHLTMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039496
CCOC(=O)c1nn2CC(=O)Nc2c1Br	PC-id_137238562	274.071	ILRDBROSWRLCBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039497
Brc1n(cc2C(O)(CCc12)CC(=O)O)C	PC-id_83913784	274.111	PWMRCYBNBGOXIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039498
Brc1oc2C(CCc2c1)(CC(=O)O)CN	PC-id_83913782	274.111	LWVUGMBEIOCXIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039499
Brc1oc2c(C(CC2)(CC(=O)O)CN)c1	PC-id_83913783	274.111	HIWLAISHHNHYNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039500
Brc1n(nc2c1C(N)(CC2)C(=O)OC)C	PC-id_83913793	274.114	YGZCQZQYVFOXGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039501
Brc1nn(c2CCC(N)(c12)C(=O)OC)C	PC-id_83913794	274.114	ZKBOMXKNHNOJFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039502
Brc1n[nH]c2c1C(CC2)(CC(=O)O)CN	PC-id_83913791	274.114	SFKAYADQSMGNPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039503
c12c(Br)cnn1CCN2CC(=O)OCC	EMOLS-id_323991185,MCULE-6419434454	274.114	JIPVILFBIHXDSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039504
Brc1sc2c(C(=O)N(C(C)C)C2=O)c1	PC-id_85634679	274.134	FWQSIBKMHGUZKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039505
BrCC(=O)NC1CC(=O)c2c1csc2	PC-id_11651975	274.134	FLRJZFDTWUGDQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039506
BrCC(=O)NC1CC(=O)c2sccc12	PC-id_11701785	274.134	PFJYYDXWXZUELP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039507
O=C(c1occ2c1CCC2)NC1CC(C1)(Cl)Cl	EMOLS-id_320247172,MCULE-5254406087	274.143	YBRFRNFKSUNQCK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-039509
O=C(c1cnc2n1CCC2)NC1CC(C1)(Cl)Cl	MCULE-4040343983,EMOLS-id_320126667	274.146	CIBPWBAHVSQNKP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-039510
O=C(c1cnn2c1CCC2)NC1CC(C1)(Cl)Cl	EMOLS-id_318962146	274.146	KZMMJGTXYKPCGX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-039511
BrCCCCn1c(O)c2c(CCC2)c1O	PC-id_54031236	274.154	LFTBJOZQYBUNIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039512
CC1=CC(=NC(=N1)NCCC2=NN=C3N2CCC3)OC	PC-id_154736812,EMOLS-id_317272245,MCULE-4844220703	274.154	YXJPUHLCVOALPO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039513
CN(C)C(=O)C1=C(NN=C1)NCC2=CN=C3N2CCC3	PC-id_154784380,MCULE-3655132775,EMOLS-id_317772722	274.154	HQQJUAGVRIARAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039514
BrCCCCCn1nc2n(c1=O)CCC2	SCHEMBL3524929,PC-id_57927305	274.158	BFYFNNKNOMGJPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039515
Brc1c2CCCc2sc1C(=O)CCN	PC-id_84810454	274.177	BOJDMOZAZFMZKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039516
Brc1c2CCCc2sc1C(=O)CNC	PC-id_84810453	274.177	IAKVBCZLFZBATH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039517
Brc1c2CCCc2sc1C(=O)C(N)C	PC-id_84810455	274.177	IPHQJTUCWGRZSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039518
Brc1cc2c(s1)CCC2NC1COC1	EMOLS-id_262168017	274.177	NOUXSKMBGFLRCI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-039519
BrCCC(=O)Nc1sc2CCCc2c1	PC-id_82109880	274.177	IGKJECBHCXWILU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039520
BrCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_37244004,PC-id_43082509	274.177	PMABIYIBEASAES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039521
BrC(C(=O)Nc1sc2CCCc2c1)C	PC-id_82110350	274.177	SFOLIYTUWMSILH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039522
BrCC(=O)NCc1sc2c(c1)CCC2	PC-id_63681440,EMOLS-id_39936233	274.177	ZVUOLOCEVPLSPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039523
CC(C)(C)N1Cc2sc(Br)cc2C1=O	EMOLS-id_320372915	274.177	QUSUJFDJVKFLJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039524
C1Cc2c(C1)n(nc2C(F)(F)F)Cc1n[nH]c(=O)o1	PC-id_137773754	274.199	ARTMOSFHXLPPGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039525
C1CCCCC(CCC1)NC(=O)C2=C3CCCN3C=C2	PC-id_155037853	274.205	KCYOFUODRCPILT-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-039526
Brc1c2CCCc2sc1C(CCN)C	PC-id_84810474	274.22	MHQBWBXFAYLKGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039527
Brc1c2CCCc2sc1CC(N)(C)C	PC-id_84810481	274.22	JEAXXCQOTUTUSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039528
CC(CNC1CCc2c1cc(s2)Br)C	EMOLS-id_313736769	274.22	CASXDJACAYWZSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039529
NCc1c(Br)sc2c1C(C)CC2(C)C	PC-id_106664689,EMOLS-id_107759974	274.22	ZCNKEACQXARDCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039530
CCOC(=O)c1nn(c2c1CCC2(F)F)CC(=O)O	PC-id_144693948	274.221	NVMHKMKQMIUCBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039531
c12CN(Cc1nn(CC(F)F)c2C=NO)C(=O)OC	MCULE-6376947427,EMOLS-id_324354413	274.224	GGKKGWZNEWPFGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039532
COC(=O)c1c(nn2c1CS(=O)(=O)C2)C(=O)OC	PC-id_11550825,SCHEMBL19303925	274.25	UAMJGGMQHZWWID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039533
n12cnnc1sc(=Cc1cccc(c1)N(=O)=O)c2=O	MCULE-2734616647	274.255	CTULCMOUEPTBBR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-039534
n12ncnc1sc(=Cc1ccccc1N(=O)=O)c2=O	MCULE-2489246987	274.255	YKCTVWDRAYOYAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-039535
n12ncnc1sc(=Cc1cccc(c1)N(=O)=O)c2=O	MCULE-3973527309	274.255	BDHAFMUEWSOUKW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-039536
n12ncnc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O	MCULE-5406461288	274.255	ADRUKJLCQRXPHJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-039537
O=C(NCc1n2CCCc2nn1)c1cc([O-])[nH]c(=O)c1	PC-id_52024810	274.255	DPJMNWXNXJRHAI-UHFFFAOYSA-M	00000010100000101001000010000000000000000000000000000000	25-01-039538
[O-][N+](=O)c1cccc(/C=c/2sc3nncn3c2=O)c1	EMOLS-id_27013220	274.255	CTULCMOUEPTBBR-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-039539
c1(C(=O)OC(C)(C)C)c2COCc2nn1CC(F)F	EMOLS-id_324401495,MCULE-3789296179	274.264	PBKMYUGLOICUCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039540
CC1C(=O)C=CC(=Nc2c(n3CCCn3c2=O)N)C1=O	PC-id_91197221	274.275	BSXGWKRWONFIHV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039541
CC1=C(O)/C(=N/c2c(=O)n3n(c2N)CCC3)/C=CC1=O	SCHEMBL3857553,PC-id_57577971	274.275	BCYFZMLPHUUPKP-OVCLIPMQSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039542
C=CCOCc1n[nH]c2c1CN(C2)C(=O)c1ccno1	PC-id_97406019	274.275	OMKLNQGQLQWZCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039543
CC(=O)N1Cc2c(C1)c([nH]n2)CNC(=O)c1ccco1	SCHEMBL2917150,PC-id_68440211	274.275	RHCYDWJEEMCUBF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039544
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1occc1C	SCHEMBL2916029,PC-id_68439820	274.275	IBFOEIXUQABEOI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039545
COC(=O)c1nc[nH]c1NC(=O)c1cc2n(c1)CCC2	ZINC22_2325814578	274.275	SBIOFONLADUSKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039546
O=c1n2n(CCC2)c(NCc2ccccc2)c1[N+](=O)[O-]	SCHEMBL2926515,PC-id_23104200	274.275	LIQFQIAFXOPQRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039547
O=C(N1CCn2c1ncc2)[C@@H](NC(=O)c1ccco1)C	EMOLS-id_279043792	274.275	ZUQLBQMTSMPPHS-VIFPVBQESA-N	00000010101000000001000010000000000000000000000000000000	25-01-039548
O=C(NCc1n2CCCc2nn1)c1cc(O)c(O)cc1	PC-id_52024779	274.275	IWJDHRIMJRRDAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039549
O=C(NCc1n2CCCc2nn1)c1c(O)c(O)ccc1	PC-id_52024784	274.275	ZIHOIHLKSXDTFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039550
OC(=O)C1N(c2n(nc(OC)n2)C1)Cc1ccccc1	PC-id_21681542	274.275	XBKIBQBAMQQEMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039551
OC(=O)CN1Cc2[nH]nc(COc3ccccn3)c2C1	EMOLS-id_44372034,ZINC22_96260242,PC-id_97520319	274.275	NSCXKUSUSHEHSU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039552
Cc1nnc2CC(CNC(=O)c3cnc(O)cn3)Cn12	MCULE-2648542654,PC-id_137335492,EMOLS-id_317464238	274.279	MNUDTGNEISDTDL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039553
Cc1nnc2n1C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C2	ZINC22_1772709811	274.279	MNUDTGNEISDTDL-MRVPVSSYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039554
Cc1nnc2n1C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C2	ZINC22_1772709817	274.279	MNUDTGNEISDTDL-QMMMGPOBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039555
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(=O)[nH]n1	MCULE-6134354071,EMOLS-id_35706602,PC-id_53518414,ZINC22_65595502	274.279	FEUWAWZCLJSQRN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039556
COc1ncc(cn1)C(=O)NCc1nnc2CCCn12	ZINC22_426386269,PC-id_119059788,MCULE-1625317275,EMOLS-id_82703035	274.279	GWUJNVZLFSOTGG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039557
COCc1nccc(n1)NC(=O)N1CCn2c1ncc2	EMOLS-id_319506400	274.279	BUISVZRPVOUIDN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039558
O=C(N(Cc1n2CCCc2nn1)C)C1N=NC(=O)C=C1	PC-id_76049916	274.279	BNPVCPRUXGDXAC-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039559
o1nc(nc1N/N=C/1C(=Nn2nc(nc12)C)C(C)C)C	PC-id_23542666	274.282	ARKLNKZNFUDOBE-NTEUORMPSA-N	00000011100000000001000010000000000000000000000000000000	25-01-039560
o1nc(nc1N/N=C
/C(=Nn2nc(nc12)C)C(C)C)C	PC-id_58679599	274.282	ARKLNKZNFUDOBE-ZROIWOOFSA-N	00000011100000000001000010000000000000000000000000000000	25-01-039561
o1nc(nc1NN=C1C(=Nn2nc(nc12)C)C(C)C)C	PC-id_74061305	274.282	ARKLNKZNFUDOBE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-039562
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2F)n1	MCULE-4689815259,EMOLS-id_330981629	274.29	LDHVSOJYEPCKCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039563
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)F)n1	MCULE-5467745642,EMOLS-id_330983164	274.29	VEKUOKTYOSEOFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039564
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(F)c2)n1	MCULE-5194040429,EMOLS-id_330984189	274.29	WZBKNHSMKUJGHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039565
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)F	EMOLS-id_330966200,MCULE-3801568434	274.29	XWDGDANFKOTTLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039566
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1F	EMOLS-id_330968760,MCULE-2356727367	274.29	PFCRFSAFPMHRFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039567
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(F)c1	EMOLS-id_330967225,MCULE-7339771271	274.29	FRRUXPTWKRSFGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039568
Fc1c(Cc2n(c3CCC(c3n2)C(=O)O)C)cccc1	PC-id_84010984	274.29	CFWHRUBLGTWZPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039569
Cc1ccc(C(=O)NCc2nnc3n2CCC3)cc1F	MCULE-6485932667,EMOLS-id_31867766,PC-id_17506255,ZINC22_15520178	274.294	DRQYOJGFTIBNAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039570
CCc1ncc(cc1NC(=O)c1cnn2c1CCC2)F	EMOLS-id_320263938,MCULE-4497955177	274.294	IANOUUGUXCQFEH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039571
CCc1ncc(cc1NC(=O)c1nn2c(c1)CCC2)F	EMOLS-id_318888194	274.294	REPSRVDQWZAALD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039572
CNc1ccc(cc1F)C(=O)N1Cc2c(C1)cnn2C	MCULE-7390040224,EMOLS-id_316439414	274.294	SCOFZPSPIWILAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039573
Fc1cccc(c1)CN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_320200081,MCULE-6200118988	274.294	YDNMPZLWJAWPLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039574
Fc1ccc(c(c1)N)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317975935	274.294	PVPWQYKAXFUQAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039575
Fc1ccc(c(c1)N)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319322043	274.294	PQQLDHOUXZHJEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039576
Fc1ccc(c(c1)N)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319573304	274.294	USDXDMZJCCEVBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039577
Fc1ccc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_60707839	274.294	OUYUKJVMVJYMFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039578
Fc1ccc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_60763810	274.294	XJKUGGHBYGAAQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039579
Fc1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1	PC-id_60707569	274.294	ZYSUJOYANZYICC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039580
Fc1c(C(=O)NC(c2n3CCCc3nn2)C)cccc1	PC-id_60715576	274.294	JHVNQANSNLQJGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039581
O=C(c1cn2c(n1)CCC2)NCc1nccc(c1F)C	EMOLS-id_320159481,MCULE-5933136269	274.294	CSJNKJLWJXIJIK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039582
O=C(c1cnc2n1CCC2)NCc1nccc(c1F)C	EMOLS-id_319351595	274.294	AAHCQJWLXOSASE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039583
O=C(c1c(N)cccc1F)NCc1cc2n(n1)CCC2	EMOLS-id_318835551	274.294	FXOTUXYFMORDQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039584
O=C(c1c(N)cccc1F)NCc1cnc2n1CCC2	EMOLS-id_317953445	274.294	LOAPWUVCHIBOBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039585
O=C(c1cnn2c1CCC2)NCc1nccc(c1F)C	EMOLS-id_319432412	274.294	GZSPHLLGECWNRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039586
O=C(C1NCc2c1c[nH]n2)N(Cc1ccccc1F)C	EMOLS-id_318974479	274.294	RXNLEICKOCRSPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039587
O=C(C1NCc2c1c[nH]n2)NCCc1ccc(cc1)F	EMOLS-id_320136868,MCULE-6664526633	274.294	WKKJVXMKSCNQTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039588
O=C(Cc1ccc(cn1)F)NCc1cnc2n1CCC2	EMOLS-id_319128227	274.294	UHJOIKWTYXBZPR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039589
O=C(Cc1ccc(cn1)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319821081	274.294	MRJPUWAKYPZUJK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039590
O=C(Cc1ccc(F)cc1)NCc1nnc2n1CCC2	ZINC22_12983274,CoCoCo_4474361,EMOLS-id_24090407,MCULE-6874830927,PC-id_25647744	274.294	OHVZGMCGPRRZJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039591
O=C(Cc1ncccc1F)NCc1cnc2n1CCC2	EMOLS-id_319558223	274.294	ODUZHXFSVFFYPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039592
O=C(Cc1ncccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_318869098	274.294	ICYQWJDYLJIBGM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039593
O=C(NC1CC(n2c1ncc2)C)Cc1ccc(cn1)F	EMOLS-id_319076740	274.294	OKHJSABNONXLSH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039594
O=C(NCCc1ccc(F)cc1)N1CCn2ccnc12	EMOLS-id_177348986,ZINC22_583651433,MCULE-4577587140	274.294	NBYYEHMNICBFPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039595
C1(=Nc2n(C1=O)ccc2)CS(=O)(=O)c1ccccc1	CoCoCo_6675993,EMOLS-id_27655916,MCULE-3218520063,ZINC22_32611923,PC-id_39855479	274.295	MAGRACMRQFZKSW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-039596
COC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	PC-id_86584526	274.295	VSNAJLXNIXNZSD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-039597
OC(=O)CS(=O)(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_314096515,PC-id_60951207	274.297	RJEMOMPXGNNYMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039598
OC(=O)CS(=O)(=O)NC(c1nnc2n1CCC2)C	PC-id_43700463,EMOLS-id_314521043	274.297	HONSUQZXKKVJAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039599
CC1=CNC(=CC2=c3cc(sc3=NC2=O)C(=O)N)N1	PC-id_91382155	274.298	RVOVWYYXLJDKFC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-039600
Cc1cnc([nH]1)C=C1c2c(NC1=O)sc(c2)C(=O)N	PC-id_136652853	274.298	WCHZYTNYPRBCAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039601
COc1ccccc1N/C=c/1sc2ncnn2c1=O	ZINC22_256055751,PC-id_117588278	274.298	RWZAFQUNHJMLRM-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-039602
COc1cccc(N/C=c/2sc3ncnn3c2=O)c1	ZINC22_256055562,PC-id_117588260	274.298	LISLLYORULMALP-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-039603
COc1ccc(N/C=c/2sc3ncnn3c2=O)cc1	ZINC22_256055875,PC-id_117588258	274.298	XHUIDWOGZOOORH-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-039604
n12c(S)nnc1C(=O)CC2C(=O)Nc1ccccc1	PC-id_3840627,STOCK2S-02588,MCULE-8554511238,EMOLS-id_4418634	274.298	PJGPBMSNEAIYOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039605
n12ncnc1SC(CC(=O)Nc1ccccc1)C2=O	ChEMBL-DNDi_CHEMBL7803985,MCULE-8760539140,PC-id_2955968,SCHEMBL586886,CHEMBL243216,EMOLS-id_2003515	274.298	JRTRLIXGJDPBSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039606
n12ncnc1sc(=CNc1ccc(cc1)OC)c2=O	MCULE-4388154393	274.298	XHUIDWOGZOOORH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-039607
n12ncnc1sc(=CNc1ccccc1OC)c2=O	MCULE-7813635901	274.298	RWZAFQUNHJMLRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-039608
n12ncnc1sc(=CNc1cccc(OC)c1)c2=O	MCULE-2794671284	274.298	LISLLYORULMALP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-039609
O=C1C[C@@H](C(=O)Nc2ccccc2)n2c(S)nnc12	ZINC22_5731459,PC-id_741786	274.298	PJGPBMSNEAIYOH-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039610
O=C1C[C@H](C(=O)Nc2ccccc2)n2c(S)nnc12	ZINC22_5731460,PC-id_741785	274.298	PJGPBMSNEAIYOH-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039611
O=C1Nc2c(C1=Cc1[nH]cnc1C)cc(s2)C(=O)N	PC-id_22976042,SCHEMBL6629062	274.298	ODQXTFDIAAIPQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039612
O=C1Nc2c(/C/1=C/c1[nH]cnc1C)cc(s2)C(=O)N	SCHEMBL6629055	274.298	ODQXTFDIAAIPQX-KXFIGUGUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039613
O=C1Nc2c(/C/1=Cc1[nH]cnc1C)cc(s2)C(=O)N	SCHEMBL6629061,PC-id_18626988	274.298	ODQXTFDIAAIPQX-QHHAFSJGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039614
O=C(C[C@@H]1Sc2ncnn2C1=O)Nc1ccccc1	CoCoCo_5050927,ZINC22_4291853,PC-id_7172645	274.298	JRTRLIXGJDPBSC-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-039615
O=C(C[C@H]1Sc2ncnn2C1=O)Nc1ccccc1	PC-id_7172644,CoCoCo_5050928,ZINC22_4291852	274.298	JRTRLIXGJDPBSC-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039616
n1n(cnn1)CC(=O)Nc1c(C#N)c2CCCc2s1	ZINC22_4772578,PC-id_5304449,SPECS-id_AN-153/J115342,CoCoCo_6862498,MCULE-2076755881,EMOLS-id_6832128	274.302	WZUUEPNFAYXAEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039617
N#Cc1ncn(n1)CC(=O)Nc1sc2c(n1)CCC2	MCULE-9884976039,EMOLS-id_317384495	274.302	AOFXKRDXKMVABX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039618
s1c2CCCc2c(c1NC(=O)c1[nH]nc(n1)N)C#N	PC-id_62794730	274.302	QUIXIWWUSFXGJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039619
N#CC(C(F)(F)F)CNCc1sc2c(c1)CCC2	PC-id_103367115	274.305	WRIPWZBYAHYUCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039620
COC(=O)c1sc(C(=O)OC)c2c1CS(=O)C2	NSC627584,ZINC22_1619575,CoCoCo_5685575,PC-id_363040	274.313	UJGOGBRRIDWAAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039621
o1ccc(c1)CN1Cc2c(C1)nc(o2)COCC1CC1	PC-id_97413691	274.315	ZZIYUQNNEUHSPK-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-039622
N#Cc1cccc(c1)C#Cc1cn2c(c1)C(=O)C(C2)(C)C	PC-id_71117755,SCHEMBL14249233	274.317	KUVHKRMMCGPKKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039623
N#Cc1cnc(c(c1)F)NCc1sc2c(n1)CCC2	MCULE-7673131571,EMOLS-id_318430164	274.317	GEKWSPVNZMLXOL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039624
c12CN(Cc1nn(CC1CCC1)c2C#N)C(=O)OCC	MCULE-2572365662,EMOLS-id_324356201	274.318	JZEHNVLHYWQOMO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-039625
c1(CN(C)C(=O)Cc2cc(no2)C)c2CCCc2[nH]n1	EMOLS-id_55607722,PC-id_91761738,MCULE-9489719640	274.318	UHKGLTOBIIICEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039626
c1(CNC(=O)c2c(C)noc2C)c2CCCc2nn1C	EMOLS-id_53884659,ZINC22_225818174,PC-id_91819395,MCULE-6087113969	274.318	KWQJINGOIHHGJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039627
c1(C(=O)N(C)Cc2c(C)noc2C)c2CCCc2n[nH]1	PC-id_119064853,MCULE-2092349360,ZINC22_126788964,EMOLS-id_82716705	274.318	NBYIULSSHZNYRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039628
c1(C(=O)OCC)c2CCCn2c(C#N)c1N=CN(C)C	MCULE-4187082103	274.318	AKDZAYIELVVQEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039629
c1(C(=O)OCC)n2CCCc2c(C#N)c1N=CN(C)C	MCULE-7859739825	274.318	RBLCIXVAJBLFTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039630
c1(NC(=O)NCc2ccc(C)o2)n(C)nc2CCCc12	MCULE-1061503196,ZINC22_299759107,PC-id_118768585,EMOLS-id_68886715	274.318	NYATXUOOFYDACA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039631
Cc1ccc(C(=O)N2Cc3cnn(CCO)c3C2)n1C	PC-id_77082186,EMOLS-id_49872764,MCULE-8433257434,ZINC22_215248272	274.318	SOZWYGCLKXESSE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-039632
Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)c(C)o1	PC-id_47031266,EMOLS-id_31936710,MCULE-6421538992,ZINC22_58202640	274.318	YCOZZXHDZFFIGS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039633
Cc1oc(C)c(C(=O)NCc2nnc3n2CCC3)c1C	MCULE-5514136777,PC-id_53499130,EMOLS-id_35693175,ZINC22_42663783	274.318	OYGSQTSQOPLDBC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039634
Cc1oc(c(n1)CCNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98366557	274.318	QUZJHVGPYKDQSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039635
CCc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_48343234,EMOLS-id_35706624,PC-id_53498760,MCULE-3801270099	274.318	LVAJIRXRGIPUKG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039636
CCc1nc(c(o1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319812955	274.318	SYIGZJKLHWSFAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039637
CCc1noc(c1C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_98828125	274.318	OVMAXMBKQJUKDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039638
CCc1noc(c1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319415232	274.318	FCDOLYJDTQIGDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039639
CCCc1occ(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319052049	274.318	HPSXCDWMIZMQCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039640
CCCc1occ(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320249434,MCULE-7653646948	274.318	MSZAZWODRAWYQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039641
CCCn1nnc(c1)CNC(=O)c1occ2c1CCC2	EMOLS-id_320181343,MCULE-8677912253	274.318	ZJNPFOFIATZWHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039642
C=CC(=O)N1CCC(C(=O)N2CCn3ccnc23)CC1	ZINC22_1875367181,MCULE-9482605649,PC-id_145906526	274.318	WVJVNHUJPGCZKD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039643
C[C@@H](NC(=O)c1occ2c1CCC2)Cc1nnn(c1)C	EMOLS-id_319555906	274.318	SNJIWQYVLIOXNK-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039644
C[C@@H](NC(=O)CCc1ccco1)c1nnc2n1CCC2	PC-id_94018283,ZINC22_44896717	274.318	PBGZMYPATJHFAL-SNVBAGLBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039645
C[C@H](NC(=O)CCc1ccco1)c1nnc2n1CCC2	ZINC22_44896715,PC-id_94018282	274.318	PBGZMYPATJHFAL-JTQLQIEISA-N	00000010101000000001000010000000000000000000000000000000	25-01-039646
CC(Oc1ncccc1OCc1nnc2n1CCC2)C	EMOLS-id_319131781	274.318	WUHHEKSTJDFGBT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039647
CCOC(=O)c1c2CCCn2c(c1/N=CN(C)C)C#N	CoCoCo_731830	274.318	AKDZAYIELVVQEP-SXGWCWSVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039648
CCOC(=O)c1c2CCCn2c(C#N)c1/N=C/N(C)C	PC-id_3260865,SPECS-id_AH-262/34228038,ZINC22_17969155,CoCoCo_731829,EMOLS-id_25897255	274.318	AKDZAYIELVVQEP-CXUHLZMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039649
CCOC(=O)c1c(/N=CN(C)C)c(c2n1CCC2)C#N	CoCoCo_596788	274.318	RBLCIXVAJBLFTE-SXGWCWSVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039650
CCOC(=O)c1c(/N=C/N(C)C)c(c2n1CCC2)C#N	PC-id_541533,ChEMBL-DNDi_CHEMBL4286-0283,ZINC22_4170754,CoCoCo_596787,EMOLS-id_25841667,STOCK1S-06079	274.318	RBLCIXVAJBLFTE-CXUHLZMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039651
CC(=O)N1CC2C(C1)(C2)C(=O)Nc1nn2c(c1)CCC2	MCULE-4989342388,EMOLS-id_324067181,PC-id_146105894	274.318	LCNUJNXJIDEPRY-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-039652
CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1857527447	274.318	LCNUJNXJIDEPRY-HZMBPMFUSA-N	00100010100000000001010010000000000000000000000000000000	25-01-039653
CC(=O)N1C[C@@H]2C[C@@]2(C(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1857527448	274.318	LCNUJNXJIDEPRY-IINYFYTJSA-N	00100010100000000001010010000000000000000000000000000000	25-01-039654
CC(=O)N1C[C@H]2C[C@@]2(C(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1857527449	274.318	LCNUJNXJIDEPRY-QMTHXVAHSA-N	00100010100000000001010010000000000000000000000000000000	25-01-039655
CC(=O)N1C[C@H]2C[C@]2(C(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1857527450	274.318	LCNUJNXJIDEPRY-YGRLFVJLSA-N	00100010100000000001010010000000000000000000000000000000	25-01-039656
Cn1ncc2c1CN(C(=O)c1ncc(C(C)(C)C)o1)C2	ZINC22_1875282871,PC-id_146144580	274.318	WJSTVLDYJNSRRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039657
Cn1nc(c(c1)O)C(NC(=O)c1[nH]c2c(c1)CCC2)C	MCULE-4308624466,EMOLS-id_320174693	274.318	CSQKPXXPJDFUSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039658
CN(Cc1ccc(o1)C(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_319145875	274.318	KANDESPKLOKFJV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039659
CN(Cc1ccc(o1)C(=O)NC1CCn2c1ncc2)C	EMOLS-id_319308078	274.318	VVSPGYIPMUYBHV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039660
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccco1)C)C	PC-id_97519178	274.318	PWOXGRWBNIYLSX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039661
CN(Cc1nnc2n1CCC2)C(=O)CCc1ccco1	PC-id_45819256,ZINC22_44934878,MCULE-6645763867,EMOLS-id_31936692	274.318	DTQACZIWUAOITN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039662
CN(C)C(=O)c1nn(C)c2c1CN(Cc1ccoc1)C2	PC-id_97389055,ZINC22_96066715,EMOLS-id_46160295	274.318	OMQVTFPNRDKAES-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039663
COc1cc(cc(c1)OC)NC1CC(n2c1ncn2)C	EMOLS-id_316582892	274.318	VLDZTPORFAOYLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039664
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cn2c(n1)CCC2	MCULE-8692226166,EMOLS-id_319902189	274.318	CFFYRFDDQASEKZ-OTYXRUKQSA-N	00100010100010000001010010000000000000000000000000000000	25-01-039665
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cnc2n1CCC2	MCULE-5439023600,EMOLS-id_320132812	274.318	UGVMWHZVUNSYQM-OTYXRUKQSA-N	00100010100010000001010010000000000000000000000000000000	25-01-039666
NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319351995	274.318	DGPKSTVJKLBCMQ-CLAHSXSESA-N	00100010100010000001010010000000000000000000000000000000	25-01-039667
NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1n[nH]c2c1CCC2	PC-id_122566318	274.318	HRTCZBMBOPCCDN-NXEZZACHSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039668
Oc1cc(CNC(c2n3CCCc3nn2)C)ccc1O	PC-id_43748085	274.318	AYPCEBWXMLSIEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039669
Oc1c(CNC(c2n3CCCc3nn2)C)cccc1O	PC-id_61317271	274.318	MPDIFRKRHRTHLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039670
Oc1c(CNC(c2n3CCCc3nn2)C)ccc(O)c1	PC-id_43748106	274.318	SVZJRPUSKIIAJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039671
O=C1NCC2N(C(C1)CC2)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100356615	274.318	KMZMOVLMFCLAAD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-039672
O=C(c1cnoc1C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320040960,MCULE-9843394346	274.318	ZLOLCGCFIRIHLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039673
O=C(c1ncoc1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319524696	274.318	INVYOJFTJPIOGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039674
O=C(c1ncoc1C(C)C)NCc1n[nH]c2c1CCC2	MCULE-4699693923,EMOLS-id_319897934	274.318	GETWMXDFJKQRSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039675
O=C(c1[nH]c2c(c1)CCC2)N1CCOC(C1)C1(C)N=N1	EMOLS-id_320035470,MCULE-9300976354	274.318	ZURDLRCNHGKRSR-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-039676
O=C(c1n[nH]c2c1CCC2)Nc1occ(n1)C(C)(C)C	EMOLS-id_316701604	274.318	POCAVQHBDVPFSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039677
O=C(c1onc(c1)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319538189	274.318	IUABTGAVEPCJSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039678
O=C(Cc1c(C)noc1C)NCc1cnc2n1CCC2	EMOLS-id_318926420	274.318	RNDWVQLSHGAMFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039679
OCCOCc1n[nH]c2c1CN(Cc1ccccn1)C2	ZINC22_96260213,PC-id_97520291,CHEMBL3554221,EMOLS-id_44371970	274.318	BJLAFKRRJICOIG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039680
O=C(N1CCN(C1)C(=O)c1n[nH]c2c1CCC2)C1CC1	EMOLS-id_102158107	274.318	AAFKKQNCRZHAEJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-039681
COc1cc(ccc1F)C(C)n1cc2C(C)CCc2n1	EMOLS-id_331003041,MCULE-2481685333	274.333	OYVWGFVBFVFZDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039766
O=C(NC(c1n2CCCc2nn1)C)CCc1occc1	MCULE-8912363290,PC-id_45804921,EMOLS-id_31875234	274.318	PBGZMYPATJHFAL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039682
O(C(=O)c1c(n2CCCc2c1C#N)N=CN(C)C)CC	PC-id_24128462	274.318	ZBUPBOVEOKJZOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039683
c1(C(=O)Nc2n[nH]c(CC(C)C)n2)c2CCCc2n[nH]1	EMOLS-id_49402280,EMOLS-id_44757815,MCULE-2748052247,ZINC22_95473070,PC-id_71701569,STOCK7S-38933	274.322	UWUGMODWDFPIAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039684
CC(Cc1cc([nH]n1)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319109763	274.322	FGTSZUMFEIWAFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039685
CCCc1nn(c(c1)NC(=O)N1CCn2c1ncc2)C	MCULE-6312581152,EMOLS-id_320027055	274.322	VENPWCHKWUBPNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039686
CCC(C(=O)NCc1nnc2CCCn12)n1cccn1	PC-id_72872741,MCULE-2872792809,CHEMBL4516068,EMOLS-id_46050317	274.322	RJMMDKDKRHGNOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039687
CC[C@H](C(=O)NCc1nnc2n1CCC2)n1cccn1	PC-id_97124622,ZINC22_91563287	274.322	RJMMDKDKRHGNOH-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039688
CC[C@@H](C(=O)NCc1nnc2n1CCC2)n1cccn1	ZINC22_91563286,PC-id_97124621	274.322	RJMMDKDKRHGNOH-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039689
CCC(n1cccn1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319799569	274.322	NMRNKVMHFAWSKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039690
CC(Cn1cncn1)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_55656980,MCULE-2633764531,PC-id_91836295	274.322	ZOGOJXPGNZBISO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039691
CCCn1nnc(c1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319171062	274.322	BIMQTZVELWNBKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039692
CCCn1nnc(c1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_319608485	274.322	LIIHNRBEKJFBAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039693
CCCn1nnc(c1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319887406,MCULE-2312881118	274.322	PJODBYGBOPSJII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039694
CCCn1nnc(c1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318960340	274.322	UCVVWSAOTMEHPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039695
CCCn1nnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319150216	274.322	YTMACSAHJCKCRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039696
CCCn1nnc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318971664	274.322	OBTYCJLCOPXBRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039697
C[C@@H](c1nnc2n1CCC2)NC(=O)c1cnn(c1C)C	PC-id_97066406	274.322	WCMPFUGKEVORMA-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039698
C[C@H](c1nnc2n1CCC2)NC(=O)c1cnn(c1C)C	PC-id_97066407	274.322	WCMPFUGKEVORMA-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039699
C[C@H](Cn1cncn1)C(=O)NCc1n[nH]c2c1CCC2	ZINC22_244899697	274.322	ZOGOJXPGNZBISO-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039700
C[C@@H](Cn1cncn1)C(=O)NCc1n[nH]c2c1CCC2	ZINC22_244899698	274.322	ZOGOJXPGNZBISO-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-039701
C[C@@H](NC(=O)c1cnn2c1CCC2)Cc1nnn(c1)C	EMOLS-id_319629376	274.322	OROPJDLOMJPGAX-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039702
C[C@@H](NC(=O)c1nn2c(c1)CCC2)Cc1nnn(c1)C	EMOLS-id_319530848	274.322	GOORUFUULLRELA-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039703
C[C@H](NC(=O)CCn1cccn1)c1nnc2n1CCC2	PC-id_94024433,ZINC22_44934555	274.322	PVMGFKMGMXWQIX-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-039704
C[C@@H](NC(=O)CCn1cccn1)c1nnc2n1CCC2	PC-id_94024434,ZINC22_44934558	274.322	PVMGFKMGMXWQIX-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039705
CC(n1ccc(n1)CNC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318767547	274.322	SZAKLGWNTNQVNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039706
CCn1nc(cc1C)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319412978	274.322	NLIQJKIMEYLULF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039707
CCn1ncc(c1)CN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318853923	274.322	MAQLAMSPAASEIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039708
CCn1nc(c(n1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319570321	274.322	SADMRKVYDMXWEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039709
CCOc1ccnc(n1)Nc1n[nH]c2c1CNC2(C)C	SCHEMBL7014150,PC-id_59334014	274.322	DDHLFOGUPNWMMJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039710
Cn1nnc(c1)C(NC(=O)c1cn2c(n1)CCC2)(C)C	EMOLS-id_320328715,MCULE-2249330422	274.322	VVTPWEQNTSRNMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039711
Cn1nnc(c1)C(NC(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_316343027,MCULE-2435803245	274.322	MVIDCYMMXUKDGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039712
Cn1nnc(c1)C(NC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_316695812	274.322	GXDJCTQXYVFEOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039713
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccn[nH]1)C)C	PC-id_97410138	274.322	BGPXUZNHHDNISH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039714
CN(CCn1nccc1C(=O)N1CCn2c1ccn2)C	MCULE-8186251107,EMOLS-id_320100558	274.322	XRPQKYLRTQPULF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039715
CN(CCn1ncc(c1)C(=O)N1CCn2c1ccn2)C	MCULE-8881110764,EMOLS-id_320257314	274.322	QRLQDWGJDIOWTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039716
CN=C(NCc1ccco1)NCc1nnc2n1CCC2	PC-id_110933799	274.322	HQKJJIDCCIVNQN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039717
CN=C(NCc1cocc1)NCc1nnc2n1CCC2	PC-id_119117062	274.322	RPQGWKYQIAGGMG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039718
CN(C(=O)c1cnn(c1C)C)Cc1nnc2n1CCC2	EMOLS-id_35706578,PC-id_53515911,MCULE-5276068738	274.322	RCJUSPXZBAYPFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039719
CN(C(=O)c1n[nH]c2c1CN(C2)Cc1nccn1C)C	PC-id_97461963	274.322	HXYLEDIKVUPUEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039720
O=C(c1c(C)nn(c1C)C)NCc1nnc2n1CCC2	PC-id_53519945,EMOLS-id_35694886,MCULE-1620739413	274.322	QKGCLMBRVHFZBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039721
O=C(C1NCc2c1c[nH]n2)NCCCn1ncc(c1)C	EMOLS-id_318971011	274.322	UOTWPSFOHSRIPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039722
O=C(c1nccn1C(C)C)NC1CC(n2c1ncn2)C	EMOLS-id_318952765	274.322	RPKYEVZONNDNEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039723
O=C(c1n(C)nc2c1CCC2)NC(c1nnc[nH]1)(C)C	EMOLS-id_319613701	274.322	UKESLKQGTRGNGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039724
O=C(N1CCn2c1ncc2)Nc1nn(c(c1)C)C(C)C	EMOLS-id_319128216	274.322	GHNZOTMAPKOYJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039725
O=C(N(Cc1n2CCCc2nn1)C)c1c([nH]nc1C)C	PC-id_60958919	274.322	BQZAHRXYRDAYLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039726
O=C(NC(c1n2CCCc2nn1)C)c1c([nH]nc1C)C	PC-id_61260506	274.322	TUCHFAGRTYOLGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039727
O=C(NC(c1n2CCCc2nn1)C)c1c(n(nc1)C)C	PC-id_71896176	274.322	WCMPFUGKEVORMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039728
O=C(N(Cc1n2CCCc2nn1)C)c1n(cc(N)c1)C	PC-id_61110682	274.322	UMWYLSRODAQANP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-039729
O=C(NC(c1n2CCCc2nn1)C)CCn1nccc1	PC-id_45819125,EMOLS-id_31936162,MCULE-6374018648	274.322	PVMGFKMGMXWQIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039730
O=C(NCc1n[nH]c2c1CCC2)CCc1cnn(n1)C	EMOLS-id_318908773	274.322	GDFKIRYJJOSXKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039731
c12C(C)CCc1nn(Cc1ccc(cc1F)OCC)c2	EMOLS-id_331000231,MCULE-9080398102	274.333	INXGABYGMYJLFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039732
c12C(C)CCc1nn(Cc1ccc(cc1)OCCF)c2	MCULE-5375181281,EMOLS-id_330999975	274.333	GDGVHAKPQKUENI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039733
c12C(C)CCc1nn(Cc1ccc(c(F)c1)OCC)c2	EMOLS-id_330999719,MCULE-6636739078	274.333	WBALBYNRGQEHRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039734
CC1CCc2c1c(CO)nn2Cc1cc(C)ccc1F	EMOLS-id_331006454,MCULE-6037445379	274.333	IPCDCDXPIKOEAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039735
CC1CCc2c1c(CO)nn2Cc1ccc(C)cc1F	EMOLS-id_331008245,MCULE-7722155895	274.333	NCUXORPYWNKSLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039736
CC1CCc2c1c(CO)nn2Cc1cccc(C)c1F	MCULE-5772979883,EMOLS-id_331006710	274.333	KVMYNCNWYACLSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039737
CC1CCc2c1c(CO)nn2Cc1ccc(C)c(F)c1	MCULE-6028665499,EMOLS-id_331007989	274.333	DQVMMDOVONVGEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039738
CC1CCc2c1c(CO)nn2Cc1cccc(F)c1C	MCULE-9140552506,EMOLS-id_331009014	274.333	QNNPSYGECPAREA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039739
CC1CCc2c1c(CO)nn2Cc1ccc(F)cc1C	MCULE-1812609041,EMOLS-id_331008757	274.333	GBSYXTYJNCKMQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039740
CC1CCc2c1c(CO)nn2Cc1ccc(F)c(C)c1	EMOLS-id_331008501,MCULE-7909805650	274.333	AWMJDPGFWQEUMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039741
CC1CCc2c1c(CO)nn2Cc1cc(F)ccc1C	EMOLS-id_331009270,MCULE-3484568771	274.333	LXUVVUZTCNHHQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039742
CC1CCc2c1cnn2Cc1ccc(OCCF)cc1	EMOLS-id_331018217,MCULE-5162832101	274.333	RCJCJGUWPRVUMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039743
CC1CCc2nn(Cc3ccc(C)cc3F)c(CO)c12	EMOLS-id_330991024,MCULE-9270729132	274.333	KYSOMVGZJPSBIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039744
CCOc1ccccc1C(c1sc2c(c1)CCC2)O	PC-id_115795582	274.378	YSUFRCGEHMVUJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039966
CC1CCc2nn(Cc3cc(C)ccc3F)c(CO)c12	EMOLS-id_330993328,MCULE-6058082959	274.333	SYTNMLGAVJOXDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039745
CC1CCc2nn(Cc3cccc(C)c3F)c(CO)c12	MCULE-9167448227,EMOLS-id_330993584	274.333	XBEFHSHNRVCEFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039746
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(CO)c12	MCULE-9731718795,EMOLS-id_330990768	274.333	BVTYTULRMMHYGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039747
CC1CCc2nn(Cc3cccc(F)c3C)c(CO)c12	MCULE-5756895096,EMOLS-id_330991793	274.333	XKIHTEIIPFLWCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039748
CC1CCc2nn(Cc3ccc(F)cc3C)c(CO)c12	MCULE-7842938533,EMOLS-id_330991536	274.333	HMNMCIJTAFSJNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039749
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(CO)c12	MCULE-3524892913,EMOLS-id_330991280	274.333	UGPQCDGCGRHXLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039750
CC1CCc2nn(Cc3cc(F)ccc3C)c(CO)c12	MCULE-1061539048,EMOLS-id_330992049	274.333	UFRSGPVWJAAWFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039751
CC(c1ccccc1F)n1nc2CCC(C)c2c1CO	MCULE-5078709462,EMOLS-id_330992317	274.333	ISOOKBGNEBCCGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039752
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1O	EMOLS-id_331008166,MCULE-6639345319	274.333	RRYGXIOPVVLPRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039753
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1O	EMOLS-id_331008678,MCULE-1762014476	274.333	SIMBDFYWODSUGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039754
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1O	MCULE-1995144825,EMOLS-id_331008931	274.333	SUTVCKCFDNAZLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039755
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1O	MCULE-3448344068,EMOLS-id_331009191	274.333	JAALRKBGLKNHQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039756
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1O	EMOLS-id_331008422,MCULE-1494068430	274.333	FGJYVXZWQWZEAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039757
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1O	MCULE-8030185684,EMOLS-id_331008675	274.333	HDTWUMQWKIHHDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039758
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1O	EMOLS-id_331009189,MCULE-7761556561	274.333	ISUVABZUEZLBIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039759
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1CO	EMOLS-id_330991547,MCULE-5238677699	274.333	FWPAUJNTFNUTFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039760
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1O	MCULE-9963861287,EMOLS-id_331009445	274.333	WSZIPCQSMBASQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039761
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1O	EMOLS-id_331008935,MCULE-8195367655	274.333	LWLAQYRWAQIJOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039762
CCOc1ccc(Cn2ncc3C(C)CCc23)cc1F	EMOLS-id_331017961,MCULE-9617803725	274.333	KBEKQHXDQCUBKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039763
CCOc1ccc(Cn2ncc3C(C)CCc23)c(F)c1	MCULE-5386116218,EMOLS-id_331014378	274.333	VWDBAFPOZHOMAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039764
COc1ccc(cc1F)C(C)n1cc2C(C)CCc2n1	EMOLS-id_331000750,MCULE-5378233657	274.333	OZYHSDLXCJOUJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039765
CCOc1cccc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115827491	274.378	BSAFXBVJNRYLCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039967
COc1cccc(C(C)n2cc3C(C)CCc3n2)c1F	MCULE-5479535813,EMOLS-id_331003553	274.333	KQHXWWSSASPLIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039767
COc1ccc(C(C)n2cc3C(C)CCc3n2)c(F)c1	EMOLS-id_331000494,MCULE-4482045665	274.333	QFJOJSSUTIETOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039768
COc1cccc(F)c1C(C)n1cc2C(C)CCc2n1	MCULE-4064139361,EMOLS-id_331004066	274.333	SKVNHHDHGVTDSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039769
COc1ccc(F)cc1C(C)n1cc2C(C)CCc2n1	MCULE-1197997588,EMOLS-id_331003810	274.333	VRGULSXMHYBBIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039770
COc1cc(F)cc(c1)C(C)n1cc2C(C)CCc2n1	EMOLS-id_331003297,MCULE-1395107905	274.333	MHCULZJHOFWPOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039771
COc1cc(F)ccc1C(C)n1cc2C(C)CCc2n1	MCULE-8551362793,EMOLS-id_331002016	274.333	UKCFUSGPJJFHEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039772
Cc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)F	MCULE-6390882692,EMOLS-id_317920675	274.337	MCCFOTCKBYBWAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039773
Cc1ccc(c(c1)F)CNC(c1nnc2n1CCC2)C	EMOLS-id_317918815,MCULE-6629728140	274.337	CBJHYBZYPFWAID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039774
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)C)F	PC-id_62122491,MCULE-4822548016,EMOLS-id_317965689	274.337	UNQRZAHUKXJOSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039775
CC(c1nnc2n1CCC2)NCc1cccc(c1F)C	EMOLS-id_317947468,MCULE-6806123056	274.337	QRAZPCQRCAYVLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039776
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)F)C	MCULE-2876360605,PC-id_63646224,EMOLS-id_317978268	274.337	QKUGZPRBTZUVQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039777
C[C@H](c1ccc(c(c1)C)F)NC1CC(n2c1ncn2)C	MCULE-5478171389,EMOLS-id_318705255	274.337	CEKGCSZMDTZWFT-IQLKVPPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039778
Fc1ccc(c(c1)C)CNC(c1nnc2n1CCC2)C	MCULE-3032244831,EMOLS-id_317969827,PC-id_62134257	274.337	KXFGXHTWKPZGBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039779
Fc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)C	PC-id_103943668,MCULE-1148384447,EMOLS-id_317950389	274.337	QUCYZDNRTUCAHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039780
Fc1ccc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_43748149	274.337	OXEDMRGXXJWYMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039781
Fc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1	PC-id_43748193	274.337	XCJSQWZJRBZWER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039782
Fc1c(C(NC(c2n3CCCc3nn2)C)C)cccc1	PC-id_43748145	274.337	FEPHDOXVEXNNOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039783
c1(C(=O)Nc2ccccc2SC)c2CCCc2on1	ZINC22_426299,CHEMBL1578546,TIMTEC376650,ChEMBL-DNDi_CHEMBL1578546,EMOLS-id_2593872,BindingDB_PC-id_3238925,SCHEMBL13856679,PC-id_3238925,BindingDB-id_76150,MCULE-6643453208	274.338	PFTVWYPBAGVJLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039784
c1(snc2CCCc12)NC(=O)c1ccc(cc1)OC	PC-id_54774447,MCULE-5995838069	274.338	HPGVXTFEJJXYGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039785
c1(snc2CCCc12)NC(=O)c1cccc(OC)c1	PC-id_54774448,MCULE-3977288087	274.338	SSXBBJJNNZIAHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039786
Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)c(O)c1	EMOLS-id_48210577,ZINC22_42336248,PC-id_60716022,MCULE-4054645559	274.338	MJKZOTJPWRHKBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039787
Cc1csc2c1C(=Cc1cccn1CCO)C(=O)N2	PC-id_91291450	274.338	VBBOLKLXWQXCBO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-039788
Cc1nn(c2c1CCS2)C(=O)OCc1ccccc1	SCHEMBL19646130	274.338	KCIGEKRZWOSONO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039789
Cn1cc(NC(=O)c2cc3c(s2)CCC3)ccc1=O	EMOLS-id_44500296,ZINC22_65655596,MCULE-6626236243,PC-id_71938310	274.338	RFQPJTJSZBABRF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039790
COc1ccc(cc1)C(=O)Nc1nc2CCCc2s1	MCULE-3112328298,PC-id_4532026,CoCoCo_4164013,ZINC22_6469221,EMOLS-id_21277136	274.338	NTCGMWXGLJUJHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039791
COc1ccccc1C(=O)Nc1nc2CCCc2s1	PC-id_25599239,EMOLS-id_24114505,MCULE-8359622911,ZINC22_12913521,CoCoCo_4164004	274.338	ZUOGEVAMICIUDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039792
COc1cccc(c1)C(=O)Nc1nc2CCCc2s1	PC-id_4603713,ZINC22_6470543,CoCoCo_4164023,EMOLS-id_21277396,MCULE-7118683196	274.338	WZRZGGAXBGAZFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039793
COc1ccc(cn1)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2456714,PC-id_21955855	274.338	SZKGUMTVMMCBBN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039794
COc1ccc(NC(=O)c2cc3c(s2)CCC3)cn1	PC-id_9210803,EMOLS-id_29947168,CoCoCo_3173383,MCULE-4323747842,ZINC22_8077924	274.338	NVPKRESGHAGFLA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039795
COc1ncnc(c1)CC(=O)c1sc2c(c1)CCC2	PC-id_113397439	274.338	HDWLJXQNXAHEBN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039796
Oc1ccc(c(c1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_103865132	274.338	ILWRSXPWVSLWEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039797
Oc1ccc(c(c1)N)NC(=O)c1sc2c(c1)CCC2	PC-id_107697066	274.338	QNXMFTXNAPOXRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039798
O=c1cccc([nH]1)C(=O)NCc1sc2c(c1)CCC2	PC-id_108109658	274.338	VODRUAWPNJNYCA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039799
O=c1[nH]ccc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_103764715	274.338	AWBQOCATPTYOAY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039800
O=C(C1CC1c1ccco1)Nc1sc2c(n1)CCC2	EMOLS-id_48223656,MCULE-4532783236	274.338	XDRRFAWXHXJZOU-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-039801
O=C(c1ccc(c(c1)C)O)Nc1sc2c(n1)CCC2	PC-id_103956319	274.338	BGBMAYACNXHMIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039802
OCc1ccncc1NC(=O)c1sc2c(c1)CCC2	PC-id_109909637	274.338	DFIZGEWBWFTVQC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039803
O=C(c1c[nH]ccc1=O)NCc1sc2c(c1)CCC2	PC-id_108101075	274.338	ONCACMDQCGMWAX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039804
O=C(COc1ccccc1)Nc1nc2CCCc2s1	ZINC22_6597857,EMOLS-id_18860813,CB6158985,PC-id_5147664,MCULE-6610907960,CoCoCo_4164021	274.338	DMQBGHJEZVPWIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039805
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@H]1c1ccco1	ZINC22_49398994	274.338	XDRRFAWXHXJZOU-BDAKNGLRSA-N	00100010101000000001100010000000000000000000000000000000	25-01-039806
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@@H]1c1ccco1	ZINC22_49398996	274.338	XDRRFAWXHXJZOU-IUCAKERBSA-N	00100010101000000001100010000000000000000000000000000000	25-01-039807
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@H]1c1ccco1	ZINC22_49398998	274.338	XDRRFAWXHXJZOU-RKDXNWHRSA-N	00100010101000000001100010000000000000000000000000000000	25-01-039808
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@@H]1c1ccco1	ZINC22_49399000	274.338	XDRRFAWXHXJZOU-DTWKUNHWSA-N	00100010101000000001100010000000000000000000000000000000	25-01-039809
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)C	PC-id_104287663	274.338	YAWYCTHKCWBEHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039810
OC(=O)C1CCc2c1nc(s2)Nc1ccccc1C	PC-id_104287679	274.338	UAMGJABNZZHACY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039811
OC(=O)C1CCc2c1nc(s2)N(c1ccccc1)C	PC-id_104287728	274.338	WZLAXHMVFJURIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039812
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)C	PC-id_113395664	274.338	SIDNVALYXPFDSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039813
OC(=O)C1CCc2c1nc(s2)NCc1ccccc1	PC-id_104287503,EMOLS-id_107815252	274.338	XPNSHBDKSOLWNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039814
OC(=O)c1ccc(cc1C)Nc1sc2c(n1)CCC2	PC-id_104328493	274.338	UWSLRNYQQGPRPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039815
s1c2CCCc2cc1CNc1ccc([N+](=O)[O-])cc1	PC-id_61208208	274.338	JPPWGWGYZIZUAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039816
s1c2CCCc2cc1CNc1cc([N+](=O)[O-])ccc1	PC-id_61208190	274.338	BPHVZWJHEZGAGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039817
s1c2CCCc2cc1CNc1c([N+](=O)[O-])cccc1	PC-id_61209142	274.338	YRXFVBZUJVGRHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039818
s1c2CCCc2cc1CNC(=O)C1C=CC(=O)N=C1	PC-id_76895643	274.338	FPCDAKCYHLVTFU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-039819
s1c2CCCc2cc1CNC(=O)c1cc(O)cnc1	PC-id_63858542	274.338	RPIMZTZIBWTSOP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039820
s1c2CCCc2cc1CNC(=O)c1c[nH]c(=O)cc1	PC-id_61208797	274.338	OYTKHNVVDVPHNA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039821
s1c2CCCc2cc1C(=O)NN=C(c1occc1)C	PC-id_85015540	274.338	RBBNTUDZVWCWGE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-039822
s1c2CCCc2cc1C(=O)N/N=C(c1occc1)/C	PC-id_9462574	274.338	RBBNTUDZVWCWGE-DHDCSXOGSA-N	00000010101000000000000010000000000000000000000000000000	25-01-039823
s1c2c(CCC2)c(c1N(CCC(=O)O)CC#C)C#N	PC-id_82310537	274.338	GNYAYBPHIHVIJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039824
s1c2CCCc2nc1C(N)c1ccc(cc1)C(=O)O	PC-id_83344430	274.338	FTJFPCDGLHAOIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039825
s1c2CCCc2nc1Nc1c(cc(cc1)C)C(=O)O	PC-id_62516381	274.338	UDQDCVSROMPQJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039826
s1c2CCCc2nc1Nc1c(ccc(c1)C)C(=O)O	PC-id_80276971	274.338	PXYFXEAMPOYSQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039827
s1c2CCCc2nc1Nc1c(cc(cc1)C(=O)O)C	PC-id_63212467	274.338	WDVLUDQYUBUUEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039828
s1c2CCCc2nc1NC(=O)c1cc(ccc1O)C	PC-id_60716033	274.338	HLPYYUROHWJLNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039829
s1c2CCCc2nc1NC(=O)c1cc(O)c(cc1)C	PC-id_60721464	274.338	CBGQEDIGYVDWBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039830
s1c2CCCc2nc1NC(=O)c1c(c(O)ccc1)C	PC-id_82829411	274.338	VRKKHZQSRUKPEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039831
s1c2CCCc2nc1NC(=O)c1c(O)c(ccc1)C	PC-id_60716012	274.338	JBHSYKOXDBRVEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039832
s1c2CCCc2nc1NC(=O)Cc1cc(O)ccc1	PC-id_61512196	274.338	JOKMIQUXWUAYRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039833
s1c2CCCc2nc1NC(=O)Cc1c(O)cccc1	PC-id_78990857	274.338	QABSCOZOBFHANT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039834
S1Cc2c(noc2NC(=O)c2cc(cc(c2)C)C)C1	PC-id_49719031	274.338	HKECRMPYIWINQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039835
S1Cc2c(noc2NC(=O)c2cc(c(cc2)C)C)C1	PC-id_49719032	274.338	IEMSGQYUGORBPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039836
S1Cc2c(noc2NC(=O)Cc2cc(ccc2)C)C1	PC-id_49719078	274.338	BORRZEPHOKHCTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039837
S1Cc2c(noc2NC(=O)CCc2ccccc2)C1	PC-id_49719081	274.338	ZLOHQVOKXFCDLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039838
S(c1ccc(C(=O)Nc2onc3CCCc23)cc1)C	PC-id_16942386	274.338	WRRPMUKLICUGPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039839
S(c1cc(C(=O)Nc2onc3CCCc23)ccc1)C	PC-id_16942382	274.338	ZUJFUIYEOFHPRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039840
S(c1c(C(=O)Nc2onc3CCCc23)cccc1)C	PC-id_16942379	274.338	URFRELYSEVGJRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039841
S(CC(=O)Nc1onc2CCCc12)c1ccccc1	PC-id_16942365	274.338	SPFCBOLTNRXZHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039842
c1(C(=O)/N=c/sc3c(CCC3)[nH]2)c2CCCc2[nH]n1	PC-id_71705296,EMOLS-id_49405844,STOCK7S-39892,ZINC22_95476418,MCULE-7740427921,EMOLS-id_44759598	274.341	PWFMWTFWPSYTHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039843
c1(C(=O)NN=Cc2sccc2C)c2CCCc2[nH]n1	MCULE-7810531425,PC-id_5400057	274.341	LSCOJOICLMZKTJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039844
c1(C(=O)NN=C(C)c2cccs2)c2CCCc2[nH]n1	PC-id_6088785,ChEMBL-DNDi_CHEMBL1304167,MCULE-1301596874	274.341	CEFALOFHYKVXTJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039845
c1(NC(=O)Cc2cccc(C)c2)nnc2SCCn12	ZINC22_17122916,PC-id_22582972,MCULE-4810691991,CoCoCo_2590530,EMOLS-id_16349477	274.341	DOIYJVGBLTVMIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039846
c1(NC(=O)Cc2cccnc2)n(C)nc2CSCc12	EMOLS-id_316244506,ZINC22_1506399351,MCULE-3984429558	274.341	MNEKPOWMKQJBIM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039847
c1(NC(=O)CCc2ccccc2)nnc2SCCn12	EMOLS-id_16349485,ZINC22_17178772,MCULE-7888420750,CoCoCo_2590535,PC-id_22582975	274.341	ONCJSFSSELVSLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039848
c1(nnc2SCCn12)NC(=O)c1ccc(c(C)c1)C	CoCoCo_2590476,MCULE-4675742770,ZINC22_17052675,EMOLS-id_16349369,PC-id_22582941	274.341	NOZPOJIVPDLJHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039849
Cc1cc(C)cc(c1)C(=O)Nc1nnc2n1CCS2	CoCoCo_2590475,PC-id_7217034	274.341	MLNVPBCWYISZTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039850
Cc1ccsc1/C=NNC(=O)c1n[nH]c2CCCc12	CoCoCo_1725542,EMOLS-id_10659170,CoCoCo_1725540,ChEMBL-DNDi_CHEMBL1978643	274.341	LSCOJOICLMZKTJ-AUWJEWJLSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039851
Cc1cnc(c(n1)N)C(=O)NC1Cc2c(C1)ccs2	PC-id_21050765,SCHEMBL2456751	274.341	LZVAEEJIQJRLLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039852
Cc1nc(N)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104126932	274.341	LCNUBVBEQYKSIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039853
CC(C)(C)c1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324851944	274.341	JMFHAWJVDKYYGP-CLFYSBASSA-N	00000000110000000001000010000000000000000000000000000000	25-01-039854
CC(C)Cc1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324858085	274.341	ABOBNYRAVDOALQ-YFHOEESVSA-N	00000000110000000001000010000000000000000000000000000000	25-01-039855
CC(=NNC(=O)c1[nH]nc2CCCc12)c1cccs1	EMOLS-id_675076,BindingDB_PC-id_5392060,BindingDB-id_204543,STOCK3S-30330,CoCoCo_1724444,PC-id_5392060,CoCoCo_1724446,SPECS-id_AT-225/NB93308	274.341	CEFALOFHYKVXTJ-RIYZIHGNSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039856
Cn1c(=O)n(Cc2cc3n(n2)CCC3)c2ccsc12	ZINC22_2325801867	274.341	YVBJMGPGGRJLCK-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-039857
CNc1ccc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104640909	274.341	NBPFMZGSRDDIIB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039858
CNc1cnccc1C(=O)Nc1sc2c(n1)CCC2	PC-id_105069511	274.341	DMCYTRATTLPEKM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039859
CNC(=O)c1cnc(/C=C/c2cnn3c2CCC3)s1	ZINC22_656612880	274.341	NEYMXCCFSHPWKP-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039860
CNC(=O)c1cnc(s1)C=Cc1c2CCCn2nc1	MCULE-1185585344,EMOLS-id_316917710,PC-id_136551692	274.341	NEYMXCCFSHPWKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039861
CSc1cncc(c1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_278178522	274.341	JEHQOLIWBGKVSX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039862
CSc1cncc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_258111189,MCULE-4025577260	274.341	PXYSVOZRCOGOSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039863
CSCc1cccnc1C(=O)N1CCn2nccc12	EMOLS-id_316836855,ZINC22_565632537,MCULE-4110352251	274.341	ASLXCGNBWKLSAA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039864
n12c(=O)c(=Cc3ccc[nH]3)sc1nc(C(C)(C)C)n2	MCULE-4031449194	274.341	JMFHAWJVDKYYGP-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-039865
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CC(C)C	MCULE-5588854905	274.341	ABOBNYRAVDOALQ-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-039866
n1c2CCCc2sc1CCNC(=O)c1cnccn1	PC-id_110461751,MCULE-9513354287,EMOLS-id_181142082	274.341	XNOCCAYBFLNENB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039867
n1c2CCCc2sc1CCNC(=O)c1cncnc1	EMOLS-id_181159398,PC-id_110466955,MCULE-8692721340	274.341	PZTWHWDDCZGJNI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039868
N#Cc1c(NC(=O)C2CC2C2CC2)nc2n1CCS2	EMOLS-id_100918833	274.341	PIXYZWDGGZSPML-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039869
N#Cc1c(NC(=O)C2CCC=CC2)nc2n1CCS2	EMOLS-id_98898354	274.341	INVWCCPFJAWBMD-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039870
NCc1nccc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_114326362	274.341	XWZJUCYXFSGZKX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039871
NC(=O)c1cccc(c1Nc1sc2c(n1)CCC2)N	PC-id_112578499	274.341	DLBYTGYXGQVCAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039872
NC(=O)c1cccc(c1N)Nc1sc2c(n1)CCC2	PC-id_115545359	274.341	DWRQGULMHXEOBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039873
O=C(c1cncnc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181824	274.341	AGAPHDXZAIRTGI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039874
O=C(c1[nH]nc2c1CCC2)N/N=C(c1cccs1)/C	CoCoCo_1724445,CoCoCo_1724447	274.341	CEFALOFHYKVXTJ-ZSOIEALJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039875
O=C(c1[nH]nc2c1CCC2)N/N=C/c1sccc1C	CoCoCo_1725541,PC-id_5400056,CoCoCo_1725543,SPECS-id_AT-225/NB41174	274.341	LSCOJOICLMZKTJ-VGOFMYFVSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039876
O=C(c1n[nH]c2c1CCC2)Nc1scnc1C1CC1	EMOLS-id_98268137	274.341	NAXDCBXGHURHPS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039877
O=C(c1sc2c(c1)CCC2)N1CC(C1)c1nc[nH]n1	EMOLS-id_319745042	274.341	RRFBLCLLWCOVSO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039878
O=C(C=Cc1cccs1)NCc1nnc2n1CCC2	EMOLS-id_30192916,PC-id_72158883,MCULE-2819587121	274.341	HDUSDQZCALIPHK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039879
O=C(/C=C/c1cccs1)NCc1nnc2n1CCC2	ZINC22_44894070,PC-id_45802632	274.341	HDUSDQZCALIPHK-AATRIKPKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039880
O=C(N1CCn2c1ncc2)Cc1scc(n1)C1CC1	EMOLS-id_319077113	274.341	PVXPUWXBXQVNDB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039881
O=C(N1CCn2c1ncc2)CSCc1ccncc1	EMOLS-id_316585408	274.341	LEMRLNAMYUBZLM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039882
O=C(Nc1sc2c(n1)CCC2)Cc1ccc(cn1)N	PC-id_107338507	274.341	ZLRCTSFSACWMRU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039883
s1c2CCCc2cc1CNc1nnc(cc1)C(=O)N	PC-id_79098837	274.341	XFPYVJQMKDIETL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-039884
s1c2CCCc2nc1Nc1c(cc(N)cc1)C(=O)N	PC-id_61510055	274.341	JTSOPOMFZWVTFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039885
s1c2CCCc2nc1Nc1cc(c(N)cc1)C(=O)N	PC-id_61510097	274.341	RSVBODOLNQHFCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039886
s1c2CCCc2nc1Nc1c(N)cc(cc1)C(=O)N	PC-id_61510096	274.341	FVGFJJIMBABAEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039887
s1c2CCCc2nc1Nc1c(N)ccc(c1)C(=O)N	PC-id_82785841	274.341	MCRLRLBMHWFLED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039888
s1c2CCCc2nc1NC(=O)c1ccc(nc1)NC	PC-id_62178625	274.341	XVFVPAWQUXCZDC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039889
s1c2CCCc2nc1NC(=O)c1ccc(NN)cc1	PC-id_62243073	274.341	GXMQJLJKAGLUKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039890
s1c2CCCc2nc1NC(=O)c1cc(N)cc(N)c1	PC-id_61507908	274.341	KPPHXANUIZZTNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039891
s1c2CCCc2nc1NC(=O)c1cc(NC)ncc1	PC-id_62178981	274.341	OGCNYLLCYHBJLE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039892
s1c2CCCc2nc1NC(=O)c1c(NC)ccnc1	PC-id_81240264	274.341	ZDFQBMXHVPCUMK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039893
s1c2CCCc2nc1NC(=O)c1c(ncc(N)c1)C	PC-id_61507820	274.341	KKQSYHSQKZATNL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039894
s1c2CCCc2nc1NC(=O)c1c(N)cc(nc1)C	PC-id_81240184	274.341	WEOXLZMJQFCRNE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039895
s1c2CCCc2nc1NC(=O)c1c(N)cc(N)cc1	PC-id_61507907	274.341	RGZRFNUZWPDVKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039896
s1c2CCCc2nc1NC(=O)c1c(NC)nccc1	PC-id_62178447	274.341	DXHCGRRMQOBGRS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039897
s1c2CCCc2nc1NC(=O)c1c(NN)cccc1	PC-id_55050937	274.341	ARLBIRYSMRMONO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039898
s1c2CCCc2nc1NC(=O)c1nccc(NC)c1	PC-id_62178268	274.341	RZYYAJALNZGGIR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039899
s1c2CCCc2nc1NC(=O)c1nc(NC)ccc1	PC-id_62240873	274.341	GWVJESPVNVAONC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-039900
s1c2CCCc2nc1NC(=O)Nc1ccc(N)cc1	PC-id_61511831	274.341	NWBBWZPCNGZUIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039901
s1c2CCCc2nc1NC(=O)Nc1cc(N)ccc1	PC-id_61511798	274.341	YJZXQMQUYKCDTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039902
s1c2CN(Cc2nc1N)CC(=O)Nc1ccccc1	PC-id_82194286	274.341	IERJVRSDKGIIAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039903
s1c(C(=C)NNC(=O)c2n[nH]c3CCCc23)ccc1	PC-id_4361526	274.341	SUMFHRYUKAOALP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039904
s1c(C=NNC(=O)c2n[nH]c3CCCc23)ccc1C	PC-id_3699026	274.341	VSXQXNSJMDJWJA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-039905
S(c1ccc(NC(=O)c2n3CCCc3nn2)cc1)C	PC-id_44016489	274.341	FUYSICPODNCWSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039906
S(c1c(NC(=O)c2n3CCCc3nn2)cccc1)C	PC-id_44016561	274.341	DXLRACFWRVGJPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039907
C[n+]1ccc(cc1)CCNc1n2CCCn2c(=O)c1N	PC-id_70985589,SCHEMBL13745315	274.342	BTDDNWGYWMKFCM-UHFFFAOYSA-O	00000010100000101001000010000000000000000000000000000000	25-01-039908
C[n+]1ccccc1CCNc1n2CCCn2c(=O)c1N	PC-id_70985626,SCHEMBL13745460	274.342	VXRPTPLXYOQTLG-UHFFFAOYSA-O	00000010100000101001000010000000000000000000000000000000	25-01-039909
C[n+]1cccc(c1)CCNc1n2CCCn2c(=O)c1N	SCHEMBL13745668,PC-id_70985667	274.342	CNJFWJDOHGFRJV-UHFFFAOYSA-O	00000010100000101001000010000000000000000000000000000000	25-01-039910
CC1CC(c2n1ncn2)NCc1cn2c(n1)scc2	EMOLS-id_319420047	274.345	IBGASPJJLBWCQX-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-039911
Cc1cc(C)c(c(c1)F)C(=O)c1sc2c(c1)CCC2	PC-id_106883225	274.353	UAFUGUMRTBBLEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039912
Fc1ccc(c(c1)C)CC(=O)c1sc2c(c1)CCC2	PC-id_113663023	274.353	QPNGAJUUWBRMPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039913
Fc1ccc(c(c1)CC(=O)c1sc2c(c1)CCC2)C	PC-id_105376758	274.353	YVIWQDMQCWUVOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039914
Fc1cc(C)c(c(c1)C)C(=O)c1sc2c(c1)CCC2	PC-id_106876969	274.353	PBOXOYLRUTWFMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039915
s1c2CCCc2cc1C(=O)c1cc(c(F)c(c1)C)C	PC-id_65298891	274.353	IDOINRHRXOBFSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039916
S1(=O)(=O)Cc2c(sc(c2CCC)C(=O)OC)C1	PC-id_10107405	274.356	QLUMFMTWOQZRQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039917
CC(=C1C(c2c(n(c(c2C1C=C)O)CCN)O)C=C)C	PC-id_90901330	274.358	KFEBMLMBCMVGBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039918
COC1C2CCCC2C1NC(=O)c1[nH]c2c(c1)CCC2	MCULE-4586075644,EMOLS-id_320044076	274.358	QGPHIQVBUROHNS-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-039919
CCS(=O)(=O)CC(=O)Nc1nc2c(s1)CCC2	PC-id_47367661,ZINC22_48913064,EMOLS-id_49329272,MCULE-1377696924	274.36	AHKWLKBYZFIGMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039920
CN(C)C(=O)c1cc2c(s1)CCN2S(=O)(=O)C	ZINC22_96264578,PC-id_97524517	274.36	UBUZKKQYIHLIAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039921
CS(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_116151728	274.36	YGAPHFDBMYTFHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039922
CS(=O)(=O)CCC(=O)Nc1nc2c(s1)CCC2	PC-id_40062593,CoCoCo_4844850,EMOLS-id_25670893,ZINC22_32826944,MCULE-2289967720	274.36	ATEGLECTMDFILB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039923
O=C(c1sc2c(c1)CCC2)NCCS(=O)(=O)N	PC-id_61129341,EMOLS-id_38088686	274.36	XYMDJTIVYGZUFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-039924
c1(CN(C)Cc2coc(C(C)C)n2)c2CCCc2[nH]n1	MCULE-7598817458,PC-id_77093325,EMOLS-id_49892069,ZINC22_216140834	274.361	AJLRTPSKAKZXBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039925
Cc1onc(c1C(NCc1cnc2n1CCC2)(C)C)C	MCULE-8526987459,EMOLS-id_318054576	274.361	NYTOZGISMMWSHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039926
CCc1ccc([C@@H](C)NCCc2nnc3n2CCC3)o1	PC-id_97229728,ZINC22_95419921	274.361	PNDPMKXPSRYERA-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039927
CCc1ccc([C@H](C)NCCc2nnc3n2CCC3)o1	PC-id_97229729,ZINC22_95419922	274.361	PNDPMKXPSRYERA-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-039928
CCc1ccc(o1)C(NCCc1nnc2n1CCC2)C	EMOLS-id_48266087,MCULE-8844562118,PC-id_75382607	274.361	PNDPMKXPSRYERA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039929
CN1CC2CC1(CNC(=O)c1n(C)nc3c1CCC3)C2	EMOLS-id_319664093	274.361	HGNMFCRNMPXPOR-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-039930
CN1CCC(=CC1)C(NC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_99191323	274.361	FJBREFSIWKCNEB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039931
N#Cc1c(NC(=O)c2cccs2)sc2c1CCC2	PC-id_4610646,ZINC22_6222061,MCULE-6771783016,EMOLS-id_315239136	274.361	SVRYVTDYUMFXCF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-039932
o1c(CCC(NC(c2n3CCCc3nn2)C)C)ccc1	PC-id_43748194	274.361	CQHNJNGXNPUTBX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039933
o1c(c(C(NC(c2n3CCCc3nn2)C)C)cc1C)C	PC-id_43748200	274.361	DASNVTKJKZWBPH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-039934
O=C(C1CCCN1C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319425569	274.361	VEKUUIWFMNAORK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039935
O=C(C1CCCN1C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318772784	274.361	VZGHVCIXARJKSP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039936
O=C(c1cn2c(n1)CCC2)N[C@@H]1C[C@@H](C1)N1CCCC1	MCULE-1207995386,EMOLS-id_320106620	274.361	YIPYQRQIFKKIPT-TXEJJXNPSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039937
O=C(c1cnc2n1CCC2)N[C@@H]1C[C@@H](C1)N1CCCC1	EMOLS-id_316709120	274.361	RDFCLNSVBAZMCQ-TXEJJXNPSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039938
O=C(c1n(C)nc2c1CCC2)NC1(CC1)C1CNCC1	EMOLS-id_319201639	274.361	BNUBXORBSWKVOQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039939
O=C(c1n[nH]c2c1CCC2)N(C1CC1)CC1CCCN1	MCULE-9597083234	274.361	PBHXIQACPUFBGU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-039940
O=C(c1n[nH]c2c1CCC2)N(C1CC1)C[C@@H]1CNCC1	PC-id_70323451,SCHEMBL8260517	274.361	UUNYEBSJMBEURG-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-039941
O=C(c1n[nH]c2c1CCC2)N(C[C@@H]1CCCN1)C1CC1	ZINC22_328638194	274.361	PBHXIQACPUFBGU-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-039942
O=C(c1n[nH]c2c1CCC2)N(C[C@H]1CCCN1)C1CC1	ZINC22_328638195	274.361	PBHXIQACPUFBGU-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-039943
CCc1ccc(cc1)OCCc1nc2c(s1)CCN2	PC-id_93744399	274.381	GGQHUQNZLVJQNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039992
O=C(c1n[nH]c2c1CCC2)N[C@@H]1C[C@@H](C1)N1CCCC1	EMOLS-id_316642802	274.361	LDKNSOUMWKZJCE-PHIMTYICSA-N	00001010100000000001100010000000000000000000000000000000	25-01-039944
OCCN1Cc2c(C1)n(nc2Cn1cccc1)C(C)C	PC-id_97405383	274.361	FDILGTDDVJKSHE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-039945
O=C(N1CC2C(C1)C2(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101417058	274.361	FGBRPAVFFVMFRU-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-039946
O=C(N1CCC(C1)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101418846	274.361	DSQHPZBLMUNSSV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-039947
O=C(N1CCC(=C(C1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101574855	274.361	NVEUPLNNVRHPOB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039948
O=C(N1C[C@H]2[C@]1(C)CCCC2)NC1CCn2c1ncc2	EMOLS-id_319147399	274.361	HGMIJOLNPFZJDS-BQELKBSMSA-N	00001010100010000001001010000000000000000000000000000000	25-01-039949
O=C(N(C1CC1)CC1CCNC1)c1n[nH]c2c1CCC2	PC-id_77823211	274.361	UUNYEBSJMBEURG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-039950
O=C(NC1(C)CCC=CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101572749	274.361	CKTLKVGSGWLCOK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039951
O=C(NC1CC(n2c1ncc2)C)NC(C1CC1)C1CC1	EMOLS-id_101390878	274.361	MKBNMCCWDLOWTQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-039952
O=C(NC1CC(n2c1ncc2)C)NCC1CCC=CC1	EMOLS-id_101436744	274.361	QCKKDXLPGCHILS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039953
O=C(NC1CC(n2c1ncc2)C)NCC1=CCCCC1	EMOLS-id_101481332	274.361	BRJMPBZJPJSAKS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-039954
CC1CC(c2n1ncn2)NCC1CCN(CC1)CC#N	EMOLS-id_319649756	274.365	HLPWKALPKLIVMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-039955
Cc1nccn1CCCCNC1CC(n2c1ncn2)C	EMOLS-id_319073648	274.365	SMTONIXGKXNQCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039956
CCc1nn(cc1CNC(c1nnc2n1CCC2)C)C	PC-id_115885426	274.365	BOJLCNAPZZBETB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039957
CCCn1nccc1CNC(c1nnc2n1CCC2)C	EMOLS-id_317944210,PC-id_114555436	274.365	NEAUNVGLPKIZQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039958
CCNC(=NCc1nnc2n1CCC2)NC1CC=CC1	PC-id_109773327	274.365	LKLHRWIRRXSWPG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-039959
n12CCCc1nnc2C(NCc1c(n(nc1C)C)C)C	PC-id_43748040	274.365	YRCSYVGYSGJCKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039960
n12CCCc1nnc2C(NC(c1cn(nc1)CC)C)C	PC-id_61792456	274.365	NUKFMFQWVSKUFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039961
n12CCCc1nnc2C(NC(c1c(nn(c1)C)C)C)C	PC-id_65197513	274.365	WPWCQLJCWAJXQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039962
n12CCCc1nnc2C(NCc1n(CCC)ccn1)C	PC-id_62955795	274.365	VBHPTBDGBNXLLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039963
n12CCCc1nnc2C(NCc1n(CCC)cnc1)C	PC-id_66130755	274.365	FFVNGXDOGKMBBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039964
n12CCCc1nnc2C(NCc1n(C(C)C)cnc1)C	PC-id_66131915	274.365	XKVZUXAENMBKBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039965
s1c2c(CCC2)cc1C(O)c1cc(c(OC)cc1)C	PC-id_61082659	274.378	YNOFDSFSSOTTNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039968
s1c2c(CCC2)cc1C(O)c1c(cc(OC)cc1)C	PC-id_61099254	274.378	QMLDJRWVRUPXMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039969
s1c2c(CCC2)cc1C(O)c1ccc(OCC)cc1	PC-id_61100567	274.378	LELWADQDQVCVNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039970
s1c2c(CCC2)cc1C(O)c1c(OC)ccc(c1)C	PC-id_61080753	274.378	IFCXJHSTQSZBNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039971
s1c2c(CCC2)cc1C(O)Cc1ccc(OC)cc1	PC-id_63016932	274.378	NNTSLUFVPNZWHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039972
s1c2c(CCC2)cc1C(O)Cc1cc(OC)ccc1	PC-id_63016022	274.378	AXFUWODHLUKFGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039973
s1c2c(CCC2)cc1C(O)Cc1c(OC)cccc1	PC-id_63017335	274.378	PITUTPXRIDQSQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-039974
C1Cc2c(n(c(=S)n2C1)CCCc1ccccc1)O	PC-id_91242828	274.381	UMSLIIOKDVEHGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039975
c1(C(N)c2cccc(OCC)c2)sc2c(CCC2)n1	MCULE-6765119384,PC-id_61330900	274.381	HVDYGSOBPKWKGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039976
c1(NC(=O)C2CCCCC2)sc2c(CCC2)c1C#N	MCULE-2624367480,CoCoCo_1710071,TIMTEC48480,ZINC22_6014757,BAS-01506030,PC-id_3131760,EMOLS-id_1338799	274.381	AMJGXCWZABGLSY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-039977
Cc1ccc(c(c1)C)OCCc1nc2c(s1)CCN2	PC-id_93744408	274.381	UKQQBLSZMSZWAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039978
Cc1cccc(c1C)OCCc1nc2c(s1)CCN2	PC-id_93744410	274.381	MOGMIEHEXVCTDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039979
Cc1ccc(cc1C)OCCc1nc2c(s1)CCN2	PC-id_93744414	274.381	KSYWZXFFGMTDEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039980
Cc1ccc(c(c1OCc1sc2c(n1)NCC2)C)C	PC-id_93744415	274.381	BONVAXLLKYIJOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039981
Cc1cccc(c1OCCc1nc2c(s1)CCN2)C	PC-id_93744404	274.381	NFSFJTRVEPHMTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039982
Cc1ccc(c(c1)OCCc1nc2c(s1)CCN2)C	PC-id_93744406	274.381	XKRBVFXBNFNORO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039983
Cc1cc(C)c(c(c1)C)OCc1nc2c(s1)CCN2	PC-id_93744417	274.381	PPMSSRCHVIGSNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039984
Cc1cc(C)c(cc1OCc1nc2c(s1)CCN2)C	PC-id_93744416	274.381	BNPPLZFQRKGDKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039985
Cc1cc(OCCc2nc3c(s2)CCN3)cc(c1)C	PC-id_93744412	274.381	OLMVQEGUYKVXAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039986
CC(c1ccccc1OCc1nc2c(s1)CCN2)C	PC-id_93744400	274.381	WXOXVJAXHFHVPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039987
CC(c1cccc(c1)OCc1nc2c(s1)CCN2)C	PC-id_93744401	274.381	IBQZIBINHXNLDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039988
CC(c1ccc(cc1)OCc1nc2c(s1)CCN2)C	PC-id_93744402	274.381	ZMIJPGBDTBTKCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039989
CCc1ccccc1OCCc1nc2c(s1)CCN2	PC-id_93744395	274.381	SVFLFVKAJXAUHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039990
CCc1cccc(c1)OCCc1nc2c(s1)CCN2	PC-id_93744397	274.381	LBDQJROJQLRYAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-039991
CCc1cc(n(n1)C)CC(=O)c1sc2c(c1)CCC2	PC-id_114980913	274.381	YTGROQQZWZSQBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039993
C/C=C/C=CC1=C(C=C)n2c(C1CC(S)O)cnc2	PC-id_145169327	274.381	PKRDTQHSRFHDPC-WZWXSLMZSA-N	00000011100000000001000010000000000000000000000000000000	25-01-039994
C=C/C=CC(=C/C)C1n2c(C=O)cnc2SC1(C)C	PC-id_142091413	274.381	KMRBGOWLCDNCTI-YKFSIMETSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039995
CCCn1ccnc1CC(=O)c1sc2c(c1)CCC2	PC-id_115784807	274.381	CXPWMQFNJSVNAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039996
CC(n1ccc(n1)CC(=O)c1sc2c(c1)CCC2)C	PC-id_113657737	274.381	BHPXATKHGKBRGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039997
CCn1nc(cc1CC(=O)c1sc2c(c1)CCC2)C	PC-id_115779745	274.381	GKBZPSMIUITCCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-039998
CCOc1cccnc1NCc1sc2c(c1)CCC2	PC-id_104060718	274.381	PDQIFCVMYVDDDK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-039999
CCOc1cncc(c1)C(c1sc2c(c1)CCC2)N	PC-id_105026327	274.381	CKVDMYPAWUHLKO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040000
COc1cccc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105283586	274.381	PRQAYYBXKWQOKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040001
COc1ccccc1C(c1sc2c(c1)CCC2)NN	PC-id_105285702	274.381	SCBPDWVTPNYUMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040002
COc1ccc(cc1)C(c1sc2c(c1)CCC2)NN	PC-id_105286216	274.381	QVEZYNRLUKTKQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040003
COc1cccc(c1C)NCc1sc2c(n1)CCC2	EMOLS-id_318167202,MCULE-6612210165	274.381	OBOQTUGBALZZRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040004
COc1ccc(cn1)CNCc1sc2c(c1)CCC2	PC-id_114936689	274.381	XCQBUOJMPVCHOR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040005
COc1cccnc1C(c1sc2c(c1)CCC2)NC	PC-id_108212648	274.381	QNFGEDKCAIGAPB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040006
COc1cncc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_105025763	274.381	LAKRCKQNACUELO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040007
COc1cnc(cc1NCc1sc2c(c1)CCC2)C	PC-id_106660363	274.381	JVIBVXRRNHQUBQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040008
N#CC1(C)CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_104008397	274.381	MWQYBXCMBKXLFG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040009
N#Cc1c(NC(=O)CC2CCCC2)sc2c1CCC2	ZINC22_3287282,MCULE-2960432698,CoCoCo_3268208,EMOLS-id_3036527,PC-id_2402782	274.381	WRIGFLOVHSLCBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040010
OCC(c1ccccc1)NCc1sc2c(n1)CCC2	PC-id_109948595	274.381	VHEQWHBUXHEVFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040011
O=C(CCC1CCC1)Nc1sc2CCCc2c1C#N	EMOLS-id_328141256,MCULE-7485220744	274.381	MKJMVCNWXTZDLH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-040012
s1c2CCCc2cc1CNc1nc(OCC)ccc1	PC-id_55212976	274.381	GHMJZSXLXQWRMQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040013
s1c2c(CCC2)cc1CNCc1c(OC)nccc1	PC-id_80337933	274.381	LDMMIJQHPQBIGQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040014
s1c2c(CCC2)cc1CNCc1nc(ccc1O)C	PC-id_78943569	274.381	CXSNRQAGFKPJEY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040015
s1c2CCCc2cc1CNCc1nc(OC)ccc1	PC-id_63984291	274.381	QRPDPGCYRNPMKL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040016
s1c2c(CCC2)cc1CNCCn1c(=O)cccc1	PC-id_82897558	274.381	GUPQJICVDBWGLD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040017
s1c2c(CCC2)cc1C(O)C(CN)c1cccnc1	PC-id_80523180	274.381	ZZZACNRFGKVCQH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040018
s1c2c(CCC2)cc1C(O)C(CN)c1ccncc1	PC-id_80525861	274.381	XNMCDZLIJAKOOP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040019
s1c2c(CCC2)cc1C(O)C(CN)c1ncccc1	PC-id_80527068	274.381	PLNWKKACQKQVAL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040020
s1c2c(CCC2)cc1C(=O)N(C1CCCC1)CC#N	PC-id_64471277	274.381	JTVRHZMMKAZXDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040021
s1c2c(CCC2)cc1C(=O)NC1(CCCCC1)C#N	PC-id_60659257	274.381	YYAHEBVLBBXCQF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040022
s1c2CCCc2nc1CC(N)c1ccc(OC)cc1	PC-id_82066884	274.381	UUHGODMQTYJSJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040023
s1c2CCCc2nc1CC(N)c1cc(OC)ccc1	PC-id_82066888	274.381	UFLWEBDJRHNJET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040024
s1c2CCCc2nc1CC(N)c1c(OC)cccc1	PC-id_82066892	274.381	HBGZTDINHJWPIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040025
s1c2CCCc2nc1C(N)c1cc(ccc1)COC	PC-id_65591657	274.381	WWJPNGIJQYKACT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040026
s1c2CCCc2nc1C(N)c1ccc(cc1)COC	PC-id_65624338	274.381	NEUYTUJGVSJODQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040027
s1c2CCCc2nc1C(N)c1c(cc(O)cc1C)C	PC-id_83344536	274.381	LDAYTTGEIAYORD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040028
s1c2CCCc2nc1C(N)c1cc(c(OC)cc1)C	PC-id_62133922	274.381	RNPZGYYTAQMSGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040029
s1c2CCCc2nc1C(N)c1ccc(OCC)cc1	PC-id_61332278	274.381	OHXFUONHZHXHEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040030
s1c2CCCc2nc1C(N)c1c(COC)cccc1	PC-id_65624201	274.381	ZQAHRCAGAGJOSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040031
s1c2CCCc2nc1C(N)c1c(OCC)cccc1	PC-id_61331094	274.381	QPDCPBHMXSTUBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040032
s1c2CCCc2nc1C(NC)c1ccc(OC)cc1	PC-id_61331168	274.381	AWVAYYWIJCJZQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040033
s1c2CCCc2nc1C(NC)c1cc(OC)ccc1	PC-id_61330376	274.381	QSBAQBTUOWQIHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040034
s1c2CCCc2nc1C(NC)c1c(OC)cccc1	PC-id_61332541	274.381	VDERVJQNQBMOPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040035
S1(CCc2ccccc2)(c2n(C(=C1)C)ccn2)CO	PC-id_57183295	274.381	VOADXHSMRZTZEX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-040036
C1Cc2c(C1)nc(s2)CNC1CC(C1)c1[nH]ccn1	EMOLS-id_318919082	274.385	LFOOSVVFISSYFF-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-040037
C1CN(C(C1)c1nccs1)Cc1n[nH]c2c1CCC2	PC-id_45196169,EMOLS-id_23813580,MCULE-5727328266	274.385	PNZYGXBRMAQQEV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-040038
CCCCCCCCC(c1sc2c(c1)CCC2)NC	PC-id_115835124	279.484	KXSLXBNCTYHGQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043786
C1CN([C@@H](C1)c1nccs1)Cc1[nH]nc2c1CCC2	CoCoCo_1288148,CoCoCo_1288146,CoCoCo_1288144,CoCoCo_1288150	274.385	PNZYGXBRMAQQEV-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-040039
C1CN([C@H](C1)c1nccs1)Cc1[nH]nc2c1CCC2	CoCoCo_1288151,CoCoCo_1288145,CoCoCo_1288147,CoCoCo_1288149	274.385	PNZYGXBRMAQQEV-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-040040
CC1CC(c2n1ccn2)NCc1sc2c(n1)CCC2	EMOLS-id_318645354,MCULE-2656036491	274.385	WNWXRRTZPQOZQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040041
Cc1ncnc(c1)CNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318601940,MCULE-1278281674	274.385	CBZPADDKIGFHPR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040042
Cc1nc(NCc2sc3c(n2)CCC3)c(c(n1)C)C	MCULE-5762110176,EMOLS-id_318720461	274.385	PPQXUYRRSGRHGL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040043
Cn1nc(cc1C1CC1)NCc1sc2c(n1)CCC2	MCULE-4889363859,EMOLS-id_318283245	274.385	HTXPZGZETZYKER-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040044
CN(c1ccc(nc1)NCc1sc2c(n1)CCC2)C	MCULE-3604699038,EMOLS-id_318253198	274.385	IIVQZVLSZYUDRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040045
CN(c1cncc(c1)NCc1sc2c(n1)CCC2)C	MCULE-1181651040,EMOLS-id_318340976	274.385	UVXUJTNDJXVGLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040046
s1c2CCCc2cc1CNc1nc(N(C)C)ncc1	PC-id_64830858	274.385	NXBPYRDWWKMUCF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040047
s1c(nc2c1CCC2)C(NC1CC1)c1cn(nc1)C	PC-id_61335081	274.385	LOEQKQGCGUHEFD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040048
s1c(nc2c1CCC2)C(NC1CC1)c1n(cnc1)C	PC-id_66116917	274.385	AMJAXJNQOYTMQJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040049
s1c(nc2c1CCC2)C(NC)c1n(C2CC2)cnc1	PC-id_66139658	274.385	HDQQIEAKARQPKH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040050
OC(c1sc2c(c1)CCC2)CCCS(=O)(=O)C	PC-id_115780075	274.4	MTHQOUQDPLYTPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040051
Cc1n(CC2CC2)c(c2c1C(C)(CC2(C)C)C(=O)N)C	SCHEMBL11334448,PC-id_12369148	274.401	NETVNSSISGOCFR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-040052
CCOCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C#N	SCHEMBL11749430,PC-id_21454046	274.401	HBLOUGHSWHFFIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040053
CN[C@@H](C(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_68320768,SCHEMBL12584666	274.403	QNPOXNOBMSRVQP-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040054
N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL8239880,PC-id_58799620	274.403	MEQQDMVQDXOMBE-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040055
NNC(c1sc2c(c1)CCC2)CCS(=O)(=O)C	PC-id_114985085	274.403	BRUQPUNBFJWNIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040056
S1(=O)(=O)N(CC(N)C(C)(C)C)Cc2sccc12	PC-id_72427705	274.403	MEQQDMVQDXOMBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040057
S1(=O)(=O)N(CC(NC)C(C)C)Cc2sccc12	PC-id_77478653	274.403	QNPOXNOBMSRVQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040058
CC1CC(CNC(c2nnc3n2CCC3)C)CC(=C1)C	PC-id_103276505	274.404	ZIOYWUOESVTVPZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-040059
N(C1CC(C2CC2)CCC1)C(c1n2CCCc2nn1)C	PC-id_64594480	274.404	OPMGNEWMQGOSMN-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-040060
N#Cc1ccc(s1)CNCc1cc2c(s1)CCC2	PC-id_115675817	274.404	SQIDLDDSCOWYJM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040061
N#Cc1csc(c1)CNCc1cc2c(s1)CCC2	EMOLS-id_314629089,PC-id_79553160	274.404	NSBNITQJBROUPR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040062
C=Nc1sc2c(c1C(=C)NC1CCCCC1)CCC2	PC-id_144415426	274.424	JKSUMSOLQLCFQG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040063
s1c2c(CCC2)cc1CNC1C(CCCCC1)C#N	PC-id_55114372	274.424	PDIIYUGNJRKLJY-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-040064
s1c2c(CCC2)cc1CNC1CCN(CC1)CC#C	PC-id_61207036	274.424	ZSKDCALTOAEJSE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040065
s1c2c(CCC2)cc1CNCc1c(n(c(c1)C)C)C	PC-id_62474595	274.424	BCACVGYCXLGBSG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-040066
s1c2c(CCC2)cc1CNCc1cn(CCC)cc1	PC-id_66415954	274.424	QBAGCKHTKMAYAV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-040067
s1c2c(CCC2)cc1CNCc1n(CCC)ccc1	PC-id_66411572	274.424	QBYYDMLUYNXJTF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-040068
CCCCC1=C(c2c(occ2C1)CCCC)CCCC	PC-id_90733031	274.441	JGTBVFBCDPUAJY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-040069
CCCCCCC#Cc1csc2c1SCC2C#C	SCHEMBL19490006	274.444	DZZBSZFOXKZZLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040070
Clc1sc2c(N(C(=O)C2)C(=O)NOC(=O)C)c1	PC-id_16639210	274.681	FAADLZHISCARFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040071
Clc1ccc(C(=O)c2n3CCC(=NO)c3cc2)cc1	PC-id_85710853	274.702	WXHUHZALKVOTRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040072
Cc1nn2c(nc(n2)C)/c/1=Cc1cc(c(cc1)O)Cl	PC-id_136034559	274.706	SXEHVYDGKMFRJO-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040073
Cc1nn2c(nc(n2)C)c1=Cc1cc(c(cc1)O)Cl	PC-id_136659715	274.706	SXEHVYDGKMFRJO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040074
CC1CCc2c1c(C=O)nn2Cc1ccccc1Cl	EMOLS-id_331004148,MCULE-3774978609	274.745	VNRCEIGGOUJVDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040075
CC1CCc2c1c(C=O)nn2Cc1ccc(Cl)cc1	MCULE-3830686963,EMOLS-id_331005429	274.745	CPKIQUISJBJCCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040076
CC1CCc2nn(Cc3ccccc3Cl)c(C=O)c12	EMOLS-id_330983871,MCULE-7820434692	274.745	DCKLGLDQTIDKDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040077
CC1CCc2nn(Cc3ccc(Cl)cc3)c(C=O)c12	EMOLS-id_330989232,MCULE-1460497391	274.745	ZVYIWHANLNGTKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040078
Clc1ccc(cc1)C(=O)c1cc(n2c1N(C)CC2)C	PC-id_102242070	274.745	DUSKYIGVNNOGES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040079
Clc1ccc(C=C2c3n(ncc3CC2)CCO)cc1	PC-id_3456295	274.745	DXMLEFBWLTVWSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040080
Clc1ccc(/C=C/c3n(ncc3CC2)CCO)cc1	PC-id_5831715	274.745	DXMLEFBWLTVWSL-FMIVXFBMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040081
CC(C)(C)OC(=O)N1Cc2nc(CCl)sc2C1	EMOLS-id_323997359	274.767	BHNKHKJAVHJFAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040082
NC(=O)COCCNC1CCc2c1cc(s2)Cl	PC-id_106235433	274.767	HGPTVGYCSSMSLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040083
Clc1sc2CCC(Nc3ccc(cc3)C#N)c2c1	PC-id_81251588	274.769	MOJGSIGDXSKDMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040084
Clc1sc2CCC(Nc3c(cccc3)C#N)c2c1	PC-id_81252373	274.769	HXZLBQSORWEVDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040085
Clc1sc2CCC(Nc3cc(ccc3)C#N)c2c1	PC-id_81252468	274.769	YJRDFQHWMRAVMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040086
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)CC	EMOLS-id_330971391,MCULE-2423255103	274.788	OJGPKIJHWPIQDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040087
c12C(C)CCc1nn(Cc1ccc(c(CC)c1)Cl)c2	MCULE-8984526338,EMOLS-id_330999467	274.788	LUYBAWJSAGBTAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040088
CC1CCc2c1c(CCl)nn2Cc1ccccc1C	EMOLS-id_331024655,MCULE-3826959533	274.788	ZLKINGAFFYTHSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040089
CC1CCc2c1c(CCl)nn2Cc1ccc(C)cc1	MCULE-5382006026,EMOLS-id_331024391	274.788	ZHSHQKHTWQJKBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040090
CC1CCc2c1c(CCl)nn2Cc1cccc(C)c1	MCULE-8981943723,EMOLS-id_331028480	274.788	QTKLJVNAGJYRLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040091
CC1CCc2c1c(Cl)nn2Cc1cccc(C)c1C	MCULE-3246628047,EMOLS-id_330975479	274.788	NYDOBWJYZCOXJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040092
CC1CCc2c1c(Cl)nn2Cc1cc(C)ccc1C	MCULE-7001062847,EMOLS-id_330974967	274.788	ICQBLFYDQBDKQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040093
CC1CCc2c1c(Cl)nn2Cc1ccc(C)cc1C	MCULE-7288898074,EMOLS-id_330972671	274.788	RYJHECLXFWOKIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040094
CC1CCc2c1c(Cl)nn2Cc1c(C)cccc1C	MCULE-8019625797,EMOLS-id_330975223	274.788	IHVBBMQAKHWKOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040095
CC1CCc2c1c(Cl)nn2Cc1cc(C)cc(C)c1	MCULE-2537706170,EMOLS-id_330974712	274.788	BIIOGYDPGBYYCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040096
CC1CCc2c1c(Cl)nn2Cc1ccc(C)c(C)c1	MCULE-4545271723,EMOLS-id_330971135	274.788	CCKDLQMUJOTUMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040097
CC1CCc2nn(Cc3ccccc3C)c(CCl)c12	MCULE-7325464201,EMOLS-id_331008697	274.788	IMEHDWSRKHZRPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040098
CC1CCc2nn(Cc3c(C)cccc3C)c(Cl)c12	EMOLS-id_330960307,MCULE-1718526918	274.788	MXSNIUYALWKXKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040099
CC1CCc2nn(Cc3cccc(C)c3)c(CCl)c12	EMOLS-id_331008442,MCULE-2885186790	274.788	DDPURRBHIHQDIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040100
CC1CCc2nn(Cc3ccc(C)cc3C)c(Cl)c12	EMOLS-id_331019180,MCULE-1050936997	274.788	AESMZGCYIVATCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040101
CC1CCc2nn(Cc3cc(C)ccc3C)c(Cl)c12	MCULE-3362172668,EMOLS-id_330960051	274.788	LQERGAIZMQKBQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040102
CC1CCc2nn(Cc3ccc(C)cc3)c(CCl)c12	MCULE-4298249708,EMOLS-id_331008433	274.788	SHTDLQOFESRTHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040103
CC1CCc2nn(Cc3cccc(C)c3C)c(Cl)c12	MCULE-4915474498,EMOLS-id_330960563	274.788	NRFCKCGIEKPQSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040104
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(Cl)c12	EMOLS-id_331021739,MCULE-5089707912	274.788	GWXHGJZUUKDNHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040105
CCCCCCCCCC(c1sc2c(c1)CCC2)N	PC-id_115831317	279.484	ABGDKLZXQWZIMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043787
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(Cl)c12	MCULE-8247350161,EMOLS-id_330959796	274.788	PYTQRDALUJIJEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040106
CC(c1ccccc1C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958265,MCULE-2575464031	274.788	HGQJPDAXSJXQGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040107
CCc1ccccc1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330960819,MCULE-3768026046	274.788	IQRAMWAHRQSGDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040108
CCc1ccccc1Cn1nc(Cl)c2C(C)CCc12	EMOLS-id_330975735,MCULE-7498155347	274.788	BMWSMXXLSDZIMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040109
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330957749,MCULE-4478092128	274.788	NUWPZLICGSCBIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040110
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1Cl	MCULE-4895312668,EMOLS-id_330960567	274.788	XIKDIHODRMQWGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040111
CCc1cccc(Cn2nc3CCC(C)c3c2Cl)c1	EMOLS-id_330960052,MCULE-9006738765	274.788	DRKZBYBWDUZEJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040112
CCc1cccc(Cn2nc(Cl)c3C(C)CCc23)c1	EMOLS-id_330974968,MCULE-1713702279	274.788	SRPSLGSYIZFTTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040113
CCc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1	EMOLS-id_331021995,MCULE-4050439613	274.788	LDEJDWIHZBBSNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040114
CCc1cc(Cn2ncc3C(C)CCc23)ccc1Cl	MCULE-1461342666,EMOLS-id_331017709	274.788	BIZZKAGLKAXZEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040115
C1C(CN2C1=CN=C2)NC3=NN=C(S3)C(F)(F)F	PC-id_154783736,MCULE-8959899477,EMOLS-id_317757877	275.045	IPCQUMHKZPSMOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040116
C1=CC=C(C=C1)C#CC2=CN3C(N=NC3=C2)C(F)(F)F	PC-id_150578066	275.067	INGABHBRWNKBCX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-040117
CC1=CC(=C(C=C1)[N+](=O)[O-])SC2=NC3=C(N2)CCC3	PC-id_154798658	275.073	ZWURSCIYEYZRGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040118
CN1C(=CC(=N1)C(=O)O)C=CC2=NC3=C(S2)CCC3	PC-id_154781522,MCULE-2731884087,EMOLS-id_317772206	275.073	GUXUNJSWCFWWOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040119
CN(C1C(CC2=C1C=CS2)O)OCC3=CC=CC=C3	PC-id_163706557	275.098	KFOLXGWBNYLIFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040120
Brc1n(nc2c1C(O)(CC2)CC(=O)O)C	PC-id_83913831	275.099	HKEMIIYXLBOJEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040121
Brc1nn(c2c1C(O)(CC2)CC(=O)O)C	PC-id_83913832	275.099	QEDAOQFIKHREHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040122
CCOC(=O)c1c(Br)nn2C[C@@H](C)Oc12	EMOLS-id_337727101	275.099	GODRBRXICJDYSC-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040123
CC1=NN2CCN(C2=C1C(=O)O)CC3=CC(=CC=C3)F	PC-id_161932601	275.107	SFQKGSUFVKTIAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040124
CC1=NN2CCN(C2=C1C(=O)O)CC3=CC=CC=C3F	PC-id_161945833	275.107	ACPMKWNERYSDEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040125
c1(C#N)c2CCCc2sc1I	MCULE-9192326262,EMOLS-id_331061032	275.109	MSKIOMAXTSGLCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040126
c1(C#N)sc2CCCc2c1I	EMOLS-id_330873408,MCULE-4678419570	275.109	GAAFLNKTQGEOTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040127
Brc1sc2C(CC(=O)c2c1)CC(=O)O	PC-id_84049411	275.119	AQEDSAFZXIBERY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040128
Brc1sc2N=C(Cc2n1)C(=O)OCC	SCHEMBL3177564,PC-id_68539136	275.122	DBOCCNWVPKGSQK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-040129
Cc1ccc(cc1)Cn1c(=O)n2C(CCc2n1)C(O)O	PC-id_163533120	275.127	DURFYHORUYUAFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040130
C1Cc2c(n(c(=O)n2C1)CCCCBr)O	PC-id_90983466	275.142	GVTFCZZLRHEMNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040131
ClC(Cl)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6749357596,EMOLS-id_327925474	275.154	QKVFEWJNEAWCDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040132
Brc1c2CCCc2sc1C(C)C(=O)O	PC-id_84810665	275.162	NWWWNMGNUZIAFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040133
Brc1c2CCCc2sc1CCC(=O)O	PC-id_84810667	275.162	PLPHEKKKEYTLAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040134
c1(C(=O)OCC)c2CCCc2sc1Br	EMOLS-id_331059495,MCULE-4364025021	275.162	BZLURSKSHUZARF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040135
c1(C(=O)OCC)c(Br)c2c(CCC2)s1	EMOLS-id_330868047,MCULE-5721174874	275.162	KEUARRSRXBIFDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040136
CCC1CCc2c1c(C(=O)O)c(s2)Br	PC-id_114748367,EMOLS-id_313773314	275.162	GSLOFHPFKSQUPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040137
CCOC(=O)c1sc(c2c1CCC2)Br	PC-id_138538492,SCHEMBL20892338	275.162	ZIEVGTODYXMPSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040138
OC(=O)c1c(Br)sc2c1C(C)(C)CC2	EMOLS-id_313627002,PC-id_114748351	275.162	LBXVATDTSAWKDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040139
CC(=C)CN1C2=C(CCC2)C(=N1)C(=O)N3CCOCC3	PC-id_153575484	275.163	ADHJJNRZDMVYPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040140
BrCCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_107763129,PC-id_104191313	275.165	QJTKNFXTMNZWOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040141
c12CN(Cc1sc(Br)c2C(=O)NC)C	EMOLS-id_331064105,MCULE-7984793063	275.165	HKLNWICAJPJUJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040142
c1(C(=O)NC)sc2CN(Cc2c1Br)C	EMOLS-id_330873414,MCULE-4083961988	275.165	RCTFYJNAPKCMCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040143
CC(C(=O)Nc1sc2c(n1)CCC2)Br	PC-id_107904991,EMOLS-id_107741612	275.165	NVFYPPDZTQFNIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040144
NC(=O)CNC1CCc2c1cc(s2)Br	EMOLS-id_262183781	275.165	HHENNFGZOLLUKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040145
C=CCNc1nnc2n1C[C@@H](S2)CBr	PC-id_94075650	275.169	KPTOOUIWIVMABG-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-040146
C=CCNc1nnc2n1C[C@H](S2)CBr	PC-id_94075652	275.169	KPTOOUIWIVMABG-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040147
n12CC(Sc1nnc2NCC=C)CBr	PC-id_17755903,MCULE-8365822080	275.169	KPTOOUIWIVMABG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040148
CCN1C2=C(CCC2)C(=N1)C(=C)N3CC(OC(C3)C)C	PC-id_153575363	275.2	AZESNZHCUCWVHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040149
O(C1CCc2oc(=O)oc12)C(=O)c1[nH]c2c(occ2)c1	SCHEMBL12864168,PC-id_58134174	275.214	OYQGUFBKBVPNLB-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-040150
O=C(c1occ2c1CCC2)N1CC(C1)(O)C(F)(F)F	EMOLS-id_319309043	275.224	ULAQEKFYMMZECB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-040151
O=C(c1cc2n(n1)CCO2)N(CC(F)(F)F)C1CC1	MCULE-3622353414,ZINC22_291449085,EMOLS-id_316740093	275.227	IKGDPRBVLRTJAM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040152
O=C(c1cnc2n1CCC2)N1CC(C1)(O)C(F)(F)F	MCULE-9851500531,EMOLS-id_320055398	275.227	JJAWPPRLDLQAKN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-040153
O=C(c1cnn2c1CCC2)N1CC(C1)(O)C(F)(F)F	MCULE-4064044679,EMOLS-id_319825776	275.227	GMUBLBPKYIQAAL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-040154
O=C(c1nn2c(c1)CCC2)N1CC(C1)(O)C(F)(F)F	EMOLS-id_319060759	275.227	ATJXCPVXYYKDMZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-040155
O=C(c1n[nH]c2c1CCC2)N1CC(C1)(O)C(F)(F)F	EMOLS-id_319340928	275.227	WKAKKSQINQYKNQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-040156
ON1Cc2c(C1)nc(n2C)C(=N)/C=C(/C(F)(F)F)N	PC-id_144979450	275.23	QCSNHUSUUFNNMQ-MBOYJPNOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040157
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1F	MCULE-2262458747,EMOLS-id_24577348,STOCK6S-68498,SPECS-id_AN-153/NB21571,PC-id_135649889,CHEMBL4543452	275.239	XARDFSYOEVKVKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040158
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)F	SPECS-id_AN-153/NB21568,MCULE-1848720640,STOCK6S-74775,EMOLS-id_24585185,PC-id_135649885	275.239	QNFCIGUSLSLMQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040159
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(F)c1	STOCK6S-46049,EMOLS-id_17099053,MCULE-7600860279,PC-id_135635946	275.239	HDJUXXWYSODNRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040160
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccccc1F	PC-id_135902046,ZINC22_20723099	275.239	XARDFSYOEVKVKJ-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040161
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccccc1F	ZINC22_20723102,PC-id_135902047	275.239	XARDFSYOEVKVKJ-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-040162
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1cccc(F)c1	PC-id_135924950,ZINC22_13689906	275.239	HDJUXXWYSODNRA-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040163
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1cccc(F)c1	PC-id_135924951,ZINC22_13689907	275.239	HDJUXXWYSODNRA-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-040164
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(F)cc1	ZINC22_20745658,PC-id_135950704	275.239	QNFCIGUSLSLMQR-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040165
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(F)cc1	ZINC22_20745659,PC-id_135950705	275.239	QNFCIGUSLSLMQR-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-040166
O=C(NCc1n2CCCc2nn1)c1[nH]c([O-])nc(=O)c1	PC-id_52024804	275.243	YIBSNDRDPNXXPO-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-040167
FC(F)Oc1ccc(C=C2Cn3c(C2=O)ccc3)cc1	EMOLS-id_26233103,MCULE-5519878345,PC-id_45835670	275.25	IPJFVLBRDLRGCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040168
FC(F)Oc1ccc(/C=C/2Cn3c(C2=O)ccc3)cc1	PC-id_24249449,CoCoCo_4588818	275.25	IPJFVLBRDLRGCC-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040169
O=C1/C(=Cc2ccc(OC(F)F)cc2)/Cn2cccc12	PC-id_97743874,ZINC22_96941981,CoCoCo_4588819	275.25	IPJFVLBRDLRGCC-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040170
CC1(COc2ccccc2)Cn2cc([N+](=O)[O-])nc2O1	CHEMBL219919,SCHEMBL14801468,PC-id_16728950	275.26	WDFNGBTYSVHPTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040171
C[C@]1(COc2ccccc2)Cn2cc([N+](=O)[O-])nc2O1	SCHEMBL14801467,PC-id_6483567,CHEMBL219147	275.26	WDFNGBTYSVHPTN-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040172
NC(=O)c1coc(CNC(=O)c2occ3c2CCC3)n1	ZINC22_617487380	275.26	YPUCUVSVXMPKAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040173
O1[C@@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccccc1)C	PC-id_16099136	275.26	WDFNGBTYSVHPTN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040174
O=[N+]([O-])c1cn2c(n1)OC(COCc1ccccc1)C2	PC-id_16099119,CHEMBL386213	275.26	OFCGVITUULALAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040175
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1occc1C	PC-id_68442163,SCHEMBL2922833	275.263	YCZTUMRHWQMVFS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040176
O=C(NCc1n2CCCc2nn1)c1cc(O)[nH]c(=O)c1	PC-id_52024811	275.263	DPJMNWXNXJRHAI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040177
O=C(NCc1nc(O)cc(O)n1)c1cc2n(n1)CCC2	ZINC22_1875344913	275.263	ORZOZDAHNMEMET-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040178
c12CN(Cc1nn(CC1CC1)c2CO)CC(F)(F)F	EMOLS-id_324346474,MCULE-2093925212	275.27	KIUQDEACWOAMFS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040179
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)C)n1	TIMTEC176908,ZINC22_869834,MCULE-8808996732,CHEMBL1431055,EMOLS-id_1359737,PC-id_1129760,CoCoCo_224998,BAS-01939675	275.27	GRBNSMMNYSWRJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040180
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCCC)n1	ZINC22_4973929,MCULE-7777058601,ChEMBL-DNDi_CHEMBL1534914,PC-id_3136371,EMOLS-id_1359735,CoCoCo_224997,BAS-01939674,CHEMBL1534914,TIMTEC391216	275.27	PWCLNUBXSVGDHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040181
CCC(C(=O)NC)n1nc(c2CCCc12)C(F)(F)F	PC-id_19590839,EMOLS-id_8867165,MCULE-4571607876	275.27	YUCWXRRIFXPZQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040182
CC[C@H](C(=O)NC)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092556,ZINC22_20607670	275.27	YUCWXRRIFXPZQG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040183
CC[C@@H](C(=O)NC)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607669,PC-id_29092555	275.27	YUCWXRRIFXPZQG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040184
COC(=O)c1c(NC(=O)C(F)F)sc2c1CCC2	PC-id_113220877	275.272	VVIWIVBKXUBENG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040185
[Se](CC[C@H](N)c1sc2CCCc2n1)C	PC-id_83344901	275.272	WWBQZTUHDUYCFF-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040186
Fc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)O	EMOLS-id_317953346	275.278	UPPLDJIOAIFPRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040187
Fc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)O	MCULE-4662662683,EMOLS-id_320073467	275.278	BDPQHCITFSYWGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040188
Oc1ccc(c(c1)F)C(=O)NCc1cnc2n1CCC2	MCULE-3912747607,EMOLS-id_317971538	275.278	IXXHNAULECCDIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040189
Oc1ccc(c(c1)F)C(=O)NCc1n[nH]c2c1CCC2	MCULE-5146096591,EMOLS-id_320014778	275.278	RKDNUYWDDDJJEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040190
Oc1ccc(c(c1)NC(=O)c1n(C)nc2c1CCC2)F	EMOLS-id_319474615	275.278	YIDXGCZKYRRKAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040191
O=C(c1cc2n(n1)CCO2)NCc1ccc(c(c1)F)C	EMOLS-id_316835802,MCULE-8809636287	275.278	JOCNXSPPAFTIIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040192
O=C(c1cccc(c1F)O)NCc1cnc2n1CCC2	EMOLS-id_319266006	275.278	UCFRMBMZAGGWPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040193
CCCNC(c1sc2c(c1)CCC2)CC(CC)CC	PC-id_105028096	279.484	YEDZTVQHEITKKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043788
O=C(c1ccc(c(c1)F)O)NCc1cnc2n1CCC2	EMOLS-id_320161543,MCULE-3119702254	275.278	IYATZRHXVGLPNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040194
O=C(c1cccc(c1F)O)NCc1nn2c(c1)CCC2	EMOLS-id_319183618	275.278	XUAZMZFIMZHGQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040195
O=C(c1cccc(c1F)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319133116	275.278	ZNZKBEPVHADGDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040196
O=C(c1ccc(c(c1)O)F)NC1CC(n2c1ncc2)C	EMOLS-id_319103309	275.278	KLWFMEBMAKVWEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040197
O=C(c1ccc(c(c1)O)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318942490	275.278	ZCUOKVZPETZOSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040198
O=C(c1cccc(c1O)F)NCc1n[nH]c2c1CCC2	MCULE-6257388230,EMOLS-id_320237967	275.278	XGDMTINDYFCNHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040199
O=C(c1c(O)cccc1F)NCc1cnc2n1CCC2	EMOLS-id_317956224,MCULE-4205092126	275.278	OHKWNWOPPYGXQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040200
O=C(c1c(O)cccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319315900	275.278	PNZSQPAWYAFVCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040201
O=C(NCc1cc2n(n1)CCC2)c1ccc(F)c(O)c1	EMOLS-id_319722893,ZINC22_1875285592	275.278	RRPBVVZUNYOZIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040202
s1c2c(CCC2=O)c([N+](=O)[O-])c1Oc1ccccc1	PC-id_16639321	275.28	VJOPDWXDODCCJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040203
CC1CC(c2n1ncn2)NC(=O)c1c(N)cccc1F	EMOLS-id_319120166	275.282	CIWDBKJLEKPENO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040204
CC(c1nnc2n1CCC2)NC(=O)c1cccnc1F	PC-id_108091258	275.282	YASUYSVDHVFQMZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040205
CC(c1nnc2n1CCC2)NC(=O)c1ccncc1F	PC-id_115646405	275.282	IBKPANMVSPMPJU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040206
CN(C(=O)c1cccnc1F)Cc1nnc2n1CCC2	PC-id_108091451	275.282	LLCYDQGAPVVXLX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040207
CN(C(=O)c1ccncc1F)Cc1nnc2n1CCC2	PC-id_115646304	275.282	QOVUSKIONLNGJM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040208
Fc1cccc(n1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_115497144	275.282	MRUVEBOUPZIOPO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040209
Fc1cccc(n1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_115497364	275.282	FFNGIBRLSXJPPN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040210
Fc1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_24612535	275.282	OPXLFWNOTQKMLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040211
Fc1nccc(C(=O)NC(c2n3CCCc3nn2)C)c1	PC-id_61293087	275.282	XWZVPEUXVLNEHY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040212
Fc1nccc(C(=O)N(Cc2n3CCCc3nn2)C)c1	PC-id_61294200	275.282	YHPSJTUTZASCIJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040213
Fc1ncc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_63980103	275.282	APCQIIOZEKJDMB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040214
Fc1ncc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_63980459	275.282	UFNWYCQOPMJCOY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040215
CCCNC(c1sc2c(c1)CCC2)CCCC(C)C	PC-id_105028672	279.484	SHQMPSVSQVYVHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043789
O=C(NCc1nnc2n1CCC2)Nc1ccccc1F	EMOLS-id_17201158,ZINC22_10464434,MCULE-3630320208,PC-id_24244425,CoCoCo_4490689	275.282	GKFOKQBHTTYBTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040216
O=C(NCc1nnc2n1CCC2)Nc1cccc(F)c1	PC-id_52186096,EMOLS-id_36633512,MCULE-9468684776,CHEMBL4584422,ZINC22_43155537	275.282	ZKJXGNBQOIDNKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040217
ONC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	PC-id_139979573	275.283	MRRGZHWTOQGKHQ-DAXSKMNVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-040218
s1c2CCCc2c(c1NC(=O)c1nonc1N)C#N	PC-id_62688008	275.286	ZRPBWTYQXYNOQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040219
O=C(c1cnn2c1CCC2)Nc1nn2c(s1)nnc2	EMOLS-id_316646805	275.29	UJRYYAHWAOGVHV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-040220
OC(=O)C1C(C(n2c1ccc2C(=O)c1ccc(O)cc1)([2H])[2H])([2H])[2H]	PC-id_71749082	275.293	PIQMOWBWPFGZMW-OSEHSPPNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040221
FC1(F)[C@@H](CN2CCn3ccnc23)[C@@H]1c1ccccc1	EMOLS-id_313184838,MCULE-3450337870,ZINC22_931518705	275.297	RKUATIDJYSKLLX-STQMWFEESA-N	00100010100000110001100010000000000000000000000000000000	25-01-040222
C=CCOC(=O)C1CCn2c1c(cc2)C(=O)OCC=C	SCHEMBL11046093,PC-id_70502510	275.3	RJXHPEBPWFMCJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040223
Cc1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324841699	275.301	ATUKLOAFAMYBOT-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040224
CCc1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324843238	275.301	PWNGWXPEHJGMFT-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040225
CCc1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324844264	275.301	ISKLCDYMSNZLEZ-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040226
CCc1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324842214	275.301	RBKZHPMCJZRUHA-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040227
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CC	MCULE-2661363480	275.301	RBKZHPMCJZRUHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040228
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CC	MCULE-4219022957	275.301	PWNGWXPEHJGMFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040229
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CC	MCULE-1749762211	275.301	ISKLCDYMSNZLEZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040230
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)C	MCULE-1921175237	275.301	ATUKLOAFAMYBOT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040231
S1(=O)(=O)N(C(=O)c2c1sc(c2)C)CC(=O)OC	PC-id_10612439	275.301	PKBKGQKFWATPAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040232
S1(=O)(=O)N(C(=O)c2sc(cc12)C)CC(=O)OC	PC-id_10778779	275.301	PYHQWLNYNYPIGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040233
CCOc1ccc(C(=O)NCc2n[nH]c3c2CCC3)o1	EMOLS-id_55640602,PC-id_91773384,MCULE-3715724147,ZINC22_219795213	275.303	RXURCJWLPNXKPV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040234
Cn1cc(c(n1)C(NC(=O)c1occ2c1CCC2)C)O	EMOLS-id_319583221	275.303	LSHJWWQVJWWCLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040235
Cn1nc2c(c1C(=O)NC13CC(C(=O)O)(C1)C3)CCC2	ZINC22_1875286816	275.303	HVAJRJIBICVVPE-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-040236
COCc1oc2c(n1)CN(C2)Cc1cccnc1OC	PC-id_97406041	275.303	IQXNXZXBZMZUQS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040237
N#Cc1c(NC(=O)C2CC2C(=O)[O-])sc2c1CCC2	MCULE-8938918121	275.303	HGUHAUZECYECEM-UHFFFAOYSA-M	00100010100000000000000010000000000000000000000000000000	25-01-040238
OCc1cc(oc1C)C(=O)NC1CC(n2c1ncc2)C	MCULE-4187857642,EMOLS-id_316440152	275.303	SEQNQPLGXUYKLN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040239
O=C(c1occ2c1CCC2)N1CCOC(C1)C1(C)N=N1	EMOLS-id_319032618	275.303	BNKHVQIWQSVKMB-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-040240
O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@H]1Cc2nccn2C1	ZINC22_1875311158	275.303	ORUYQLSQBYYRPH-HWUMTFDVSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040241
O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@@H]1Cc2nccn2C1	ZINC22_1875311159	275.303	ORUYQLSQBYYRPH-NZFPMDFQSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040242
s1c2CCCc2c(c1NC(=O)/C=C(C)/C(=O)[O-])C#N	PC-id_40565676	275.303	PEHLDUQERGMADR-FNORWQNLSA-M	00000010100000000000000010000000000000000000000000000000	25-01-040243
s1c2CCCc2c(c1NC(=O)C=C(C)C(=O)[O-])C#N	PC-id_74697706	275.303	PEHLDUQERGMADR-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-040244
c1(C(=O)NCc2cc([nH]n2)COC)c2CCCc2n[nH]1	PC-id_119062995,ZINC22_426438868,EMOLS-id_82711751,MCULE-5119209602	275.306	LWFQWEDXTAZMTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040245
c1(C(=O)NCCCc2onc(C)n2)c2CCCc2[nH]n1	EMOLS-id_323256498,MCULE-8578752098	275.306	JHORAFNCSWLWLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040246
c1(C(=O)NCCn2cccn2)cc2n(C[C@@H](OC)C2)n1	MCULE-9264729768,EMOLS-id_316334429	275.306	BXBKCFMWQREXGS-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-040247
c1(C(=O)NCCn2ccnc2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316338012,MCULE-7902304164	275.306	ZJUVYISKEHJAHK-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-040248
c1(C(=O)N(CCO)Cc2[nH]ccn2)c2CCCc2[nH]n1	EMOLS-id_317401860,PC-id_135087298,MCULE-4966758103,ZINC22_1704354380	275.306	DEMZORHFZJILGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040249
c1(C(=O)O)n[nH]cc1CN(C)Cc1c2CCCc2[nH]n1	EMOLS-id_49655496,ZINC22_97532256,PC-id_74238228,MCULE-9204380038	275.306	ZDYXDEJOXMDZAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040250
Cc1c2n(CCO2)nc1C(=O)NCCCn1ccnc1	PC-id_91959962	275.306	AQAYOAJSSPJFAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040251
Cc1cc(CC(=O)NCC2Cc3nnc(C)n3C2)on1	PC-id_137341928,EMOLS-id_317472674,MCULE-6792773409	275.306	GOAWSFKGACYXFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040252
Cc1cc(CC(=O)NC[C@@H]2Cc3nnc(C)n3C2)on1	ZINC22_1772712058	275.306	GOAWSFKGACYXFW-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-040253
Cc1cc(CC(=O)NC[C@H]2Cc3nnc(C)n3C2)on1	ZINC22_1772712059	275.306	GOAWSFKGACYXFW-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040254
Cc1nccn1CCCNC(=O)c1nn2CCOc2c1	PC-id_91959796	275.306	ZBENEKMWVAIETL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040255
CCc1nccn1CCNC(=O)c1nn2c(c1)OCC2	EMOLS-id_319025702	275.306	GJMLJHUDXTTZAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040256
CCc1noc(c1)C(=O)Nc1n[nH]c2c1CNC2(C)C	PC-id_59508338,SCHEMBL6468883	275.306	LXSPFHCGJQYLIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040257
CCc1noc(n1)CCCC(=O)N1CCn2c1ncc2	MCULE-9817805690,EMOLS-id_320290622	275.306	IAYMKAGLEPYFNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040258
CCc1onc(c1CNC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319801993	275.306	GSXGRJFUAATPTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040259
CCOc1[nH]nc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-9004044059,EMOLS-id_319965399	275.306	IRIKAQQTSSTNEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040260
Cn1cc(c(n1)C(NC(=O)c1cnn2c1CCC2)C)O	EMOLS-id_319812622	275.306	BEVNYIVYHHIDSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040261
Cn1cc(c(n1)C(NC(=O)c1n[nH]c2c1CCC2)C)O	EMOLS-id_319464211	275.306	OMEGYZQXYRECIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040262
CN(Cc1nnc2n1CCC2)C(=O)NCc1ccco1	EMOLS-id_45750482,ZINC22_89364932,MCULE-9324324520,PC-id_71896815	275.306	FMJRWSKVIJUXFI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040263
COc1cc(cnc1OC)NC1CC(n2c1ncn2)C	EMOLS-id_319598467	275.306	DKBYBJKPSHZUJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040264
COC1Cn2c(C1)cc(n2)C(=O)NCCn1cncc1	MCULE-2980235419	275.306	ZJUVYISKEHJAHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040265
COc1n(C)ncc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320053353,MCULE-9586930863	275.306	OYPFAICLJJKBMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040266
COc1nn(cc1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_319835105,MCULE-7320949190	275.306	DXPBFBSJSINBMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040267
COc1nn(cc1C(=O)Nc1n(C)nc2c1CCC2)C	MCULE-9001021652,EMOLS-id_320096573	275.306	SUIPBJHRFYVNJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040268
COCCn1cc(C(=O)N=c2cc3n([nH]2)CCC3)cn1	PC-id_146105896,EMOLS-id_324063598,MCULE-4362917695,ZINC22_1875274603	275.306	LVJHDZKDDKDDEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040269
COCCn1ncc(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318153748	275.306	BANNFSFQHPWPOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040270
COCCn1ncc(c1)C(=O)NC1CCn2c1ncc2	MCULE-1170977939,EMOLS-id_320245874	275.306	WFCRHIUTJDHHGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040271
COCC(=O)N1Cc2c(C1)n(nc2Cn1cncc1)C	PC-id_97405326	275.306	JYYSDNFMXXLZCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040272
COCn1ccc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320086718,MCULE-7475602009	275.306	OZRYBNHNFWYRLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040273
COCn1ccc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319242859	275.306	DYVBHWHFFDISNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040274
N#CC1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	MCULE-9693651137,EMOLS-id_320131874	275.306	XZCACMDIBXVXFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040275
o1c(CN(C(=O)NCc2n3CCCc3nn2)C)ccc1	PC-id_53500899	275.306	YTOAMHBJYSPEEC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040276
o1c(C(=O)NC(c2n3CCCc3nn2)C)ccc1CN	PC-id_80002524	275.306	MPGPOOPAYSFPSN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040277
o1c(C(=O)N(Cc2n3CCCc3nn2)C)ccc1CN	PC-id_80010097	275.306	OQPPOUKSSBJDCH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040278
O=C1N(CC(c2nc3n(n2)N=C(C3)C)C)C(=O)CC1C	PC-id_57604389	275.306	XZHFVJXFLJOEKU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-040279
CCCNC(c1sc2c(c1)CCC2)CC(CCC)C	PC-id_115845352	279.484	FKTDYXUSOXMYEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043790
O=c1n(C)cc(n1C)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_258039081	275.306	VGIHGAHCDWSBIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040280
O=C1NC(C(=O)N1Cc1nnc2n1CCC2)CC1CC1	EMOLS-id_100229923	275.306	MHIVHUXEAJOGCX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040281
O=C1NN=CC1CCCNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319297487	275.306	JUSHECWGAFRAOA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-040282
O=C1NN=CC1CCCNC(=O)c1cnc2n1CCC2	MCULE-8013001005,EMOLS-id_319979746	275.306	NFMZUDYAEBZZDP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-040283
O=C(c1ccco1)NCCNC1CC(n2c1ncn2)C	EMOLS-id_320010557,MCULE-7380559414	275.306	RHQGEBBOGYNSCC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040284
O=C(c1cn2c(n1)CCC2)N1CCOC(C1)C1(C)N=N1	EMOLS-id_319787727	275.306	DUGXNBJDEQKFBO-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-040285
O=C(c1cnc2n1CCC2)N1CCOC(C1)C1(C)N=N1	EMOLS-id_318955507	275.306	WPGFBZPWHBAQAM-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-040286
O=C(C1NCc2c1c[nH]n2)NC1CC(=O)N(C1)C1CC1	MCULE-7274198552,EMOLS-id_319832791	275.306	DMQIQJMTIOZNSP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040287
O=C(c1nn2c(c1)OCC2)Nc1cnn(c1)C(C)(C)C	EMOLS-id_99556469	275.306	SKHKIMXXJCNEIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040288
O=C(c1nn2c(c1)OCC2)NCc1c[nH]c(n1)C(C)C	EMOLS-id_320179293,MCULE-2318469268	275.306	HEZMVDKRLPLJHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040289
OC[C@@H](NC(=O)c1cn2c(n1)CCC2)Cc1c[nH]cn1	EMOLS-id_319117060	275.306	ORWIBXNRVCCFAM-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-040290
OCCn1ncc(c1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319175886	275.306	XHHJRHJZZJLUGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040291
O=C(NC1CC(n2c1ncc2)C)NCc1nocc1C	EMOLS-id_319596384	275.306	RSCYRKHTTJRJLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040292
O=C(NCc1n[nH]c2c1CCC2)CCc1onc(n1)C	MCULE-2508524817,EMOLS-id_320069006	275.306	ZHDZJXISUHWJAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040293
c1(C(=O)NCCNc2n(C)ncn2)c2CCCc2[nH]n1	EMOLS-id_337834535,ZINC22_2356147408,MCULE-1312154875	275.31	UWMHZROLTBIYFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040294
Cc1cc(NC(=O)NCc2nnc3n2CCC3)n(C)n1	ZINC22_43434205,PC-id_53503316,MCULE-2529714848,EMOLS-id_35707712	275.31	XENBIEJZHRUWNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040295
CCCC(c1nnn[nH]1)NC(=O)c1cn2c(n1)CCC2	MCULE-5333012765,EMOLS-id_316911787	275.31	LRSBFXRUWOZBIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040296
CCC[C@@H](NC(=O)c1cn2c(n1)CCC2)c1nn[nH]n1	ZINC22_571525406	275.31	LRSBFXRUWOZBIN-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040297
CCC[C@H](NC(=O)c1cn2c(n1)CCC2)c1nn[nH]n1	ZINC22_571525407	275.31	LRSBFXRUWOZBIN-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040298
O=C(N(Cc1n2CCCc2nn1)C)c1nc([nH]n1)CC	PC-id_80380471	275.31	YEBXOBQQVIZWGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040299
O=C(NC(c1n2CCCc2nn1)C)c1nc([nH]n1)CC	PC-id_80383901	275.31	QLJFVHVNJIUJSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040300
O=C(N(Cc1n2CCCc2nn1)C)c1nn(cc1N)C	PC-id_65354603	275.31	IPTTZAOZBZIZTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040301
O=C(N(Cc1n2CCCc2nn1)C)c1n(ncc1N)C	PC-id_65359491	275.31	VOVVNMMXXCBBSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040302
O=C(N(Cc1n2CCCc2nn1)C)c1n[nH]c(c1N)C	PC-id_62082121	275.31	HECJXWRZNCSOIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040303
O=C(N(Cc1n2CCCc2nn1)C)Cn1ncc(N)c1	PC-id_61110493	275.31	WXVSHUHWLYRSEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040304
O=C(N(Cc1n2CCCc2nn1)C)Cn1nc(N)cc1	PC-id_62112739	275.31	QVJDZKISSUTWHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040305
O=C(NCCc1n2CCCc2nn1)CCn1ncnc1	PC-id_60445456	275.31	SYGNQTMPBNXYRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040306
OCCN(C(=O)c1sc2c(c1)CCC2)CC(F)F	PC-id_107483105	275.315	BEYQJDDGZTWFIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040307
Fc1ccc(C(N)c2c3CCCc3oc2COC)cc1	PC-id_83610075	275.318	IEFLKSUHYYACIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040308
C/C=CC(=C/C)[C@H]1C[C@@H](c2n1nc(n2)C(=O)C1CC1)F	PC-id_142514959	275.321	WMCIJXWZAGFBAN-OICYNKQHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040309
COc1ccc(cc1CNC1CC(n2c1ncc2)C)F	EMOLS-id_318089631,MCULE-5303003707	275.321	MDVOHARDLLOASJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040310
COc1ccc(cc1C(NC1CCn2c1ncc2)C)F	MCULE-9628501829,EMOLS-id_317947716	275.321	ANPSXMJIYHCBLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040311
COc1ccc(cc1F)CNC1CC(n2c1ncc2)C	EMOLS-id_318325552,MCULE-6812691257	275.321	HJORKDDAJAPSKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040312
COc1cccc(c1F)CNC1CC(n2c1ncc2)C	MCULE-1404765054,EMOLS-id_318325808	275.321	FZIRUMVOBVGFMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040313
COc1cc(ccc1F)NC(c1cc2n(n1)CCC2)C	MCULE-7631412315,EMOLS-id_318313561	275.321	DDFOOORVOHXZHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040314
COc1ccc(cc1NC(c1nn2c(c1)CCC2)C)F	MCULE-9321227433,EMOLS-id_318175828	275.321	NLXGLKVCPQEUHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040315
COc1cccc(Cn2nc3CCC(C)c3c2N)c1F	EMOLS-id_331011746,MCULE-5633984949	275.321	OVQQQUQQBAEECY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040316
COc1cccc(Cn2nc(N)c3C(C)CCc23)c1F	MCULE-6330099427,EMOLS-id_330962677	275.321	YSPRMTWUDAJJBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040317
COc1cccc(F)c1Cn1nc2CCC(C)c2c1N	EMOLS-id_331010980,MCULE-8805419940	275.321	AOAKAIFHWKADIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040318
COc1cccc(F)c1Cn1nc(N)c2C(C)CCc12	EMOLS-id_330961911,MCULE-7712699530	275.321	KTRDBNXPMDIJBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040319
COc1ccc(Cn2nc3CCC(C)c3c2N)cc1F	MCULE-3439739670,EMOLS-id_331013282	275.321	RENRZMLMWCNKCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040320
COc1ccc(Cn2nc3CCC(C)c3c2N)c(F)c1	EMOLS-id_331013538,MCULE-4213464227	275.321	DAEZCAZMPNLJSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040321
COc1ccc(Cn2nc(N)c3C(C)CCc23)cc1F	EMOLS-id_330964213,MCULE-6250657670	275.321	FIBSJGJCLSSRBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040322
COc1ccc(Cn2nc(N)c3C(C)CCc23)c(F)c1	MCULE-5950084007,EMOLS-id_330964469	275.321	TWKKNZWLRCJOGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040323
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1N	MCULE-2182338941,EMOLS-id_331010724	275.321	CPBAJMCTFCNFRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040324
COc1ccc(F)cc1Cn1nc(N)c2C(C)CCc12	MCULE-5400414758,EMOLS-id_330961655	275.321	VCIZMEHXRCXNDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040325
COc1ccc(F)c(Cn2nc3CCC(C)c3c2N)c1	MCULE-7846471129,EMOLS-id_331011490	275.321	OAVRZTUHVXCQQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040326
COc1ccc(F)c(Cn2nc(N)c3C(C)CCc23)c1	MCULE-5203023015,EMOLS-id_330962421	275.321	PYDQVCWSEYXDQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040327
COc1cc(Cn2nc3CCC(C)c3c2N)ccc1F	EMOLS-id_331012002,MCULE-9491230700	275.321	WABZUPLPSBMDOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040328
COc1cc(Cn2nc(N)c3C(C)CCc23)ccc1F	MCULE-6482255285,EMOLS-id_330962933	275.321	KFVLZZOBOUNHNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040329
COc1cc(CNC2CC(n3c2ncc3)C)cc(c1)F	MCULE-9034754364,EMOLS-id_318321468	275.321	GBBHLXGZSBMCBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040330
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1N	MCULE-5632556521,EMOLS-id_331011236	275.321	DTGIXHQOLTUDJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040331
COc1cc(F)ccc1Cn1nc(N)c2C(C)CCc12	MCULE-4780477511,EMOLS-id_330962167	275.321	MCXGYHXWIVJYSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040332
COc1cc(F)ccc1NC(c1nn2c(c1)CCC2)C	EMOLS-id_318106169,MCULE-9059628480	275.321	UXKIXLCYBLZJMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040333
COc1cc(F)cc(Cn2nc3CCC(C)c3c2N)c1	EMOLS-id_331012258,MCULE-1945139634	275.321	VOFBCOWHWISBHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040334
COc1cc(F)cc(Cn2nc(N)c3C(C)CCc23)c1	MCULE-5434276153,EMOLS-id_330963189	275.321	RBLKFUVVQOSBEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040335
COc1c(F)cccc1Cn1nc2CCC(C)c2c1N	EMOLS-id_331011492,MCULE-8455705044	275.321	MRPVVJYFKYZUMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040336
COc1c(F)cccc1Cn1nc(N)c2C(C)CCc12	EMOLS-id_330962423,MCULE-7669927642	275.321	UDYYKYTUJOBVID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040337
c1(CN2C(O)c3ccsc3C2=O)ccc(OC)cc1	MCULE-4557809799,EMOLS-id_324563762	275.323	VEMILAOVVCKGEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040338
CC1c2c(c(c(n2C)C(=O)c2cccs2)C)OC1=O	PC-id_88184292	275.323	OSUQITDFJYMMSC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040339
CC1Cc2c(ccn2S(=O)(=O)c2ccccc2)C1=O	EMOLS-id_252310772,MCULE-6832694132	275.323	ZGYOZIZJTJZHHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040340
COC(=O)C1CCn2c1ccc2C(=O)c1cccs1	PC-id_20356134,SCHEMBL11656216	275.323	QROYSUYCKHJQIU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040341
O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc[nH]1	PC-id_8024917,CoCoCo_2840827,ZINC22_6651084,EMOLS-id_3438847,MCULE-5968045276	275.323	BZJUXVFFQSELGN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-040342
OC(=O)C1CCc2c1nc(s2)COc1ccccc1	PC-id_104287292	275.323	KHMKRPDUEIHZRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040343
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(s1)C	SCHEMBL11346349,PC-id_21331536	275.323	MJZOIWGYLLMPGF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040344
OC(=O)C1CCn2c1cc(c2C(=O)c1cccs1)C	SCHEMBL11660326,PC-id_20356160	275.323	WFBWJDVKCZZAPQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040345
OC(=O)C1CCn2c1cc(c2C(=O)c1cscc1)C	PC-id_20356084,SCHEMBL11659601	275.323	KCAZQIJEOKBYEI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040346
OC(=O)C1CCn2c1ccc2C(=O)c1sccc1C	PC-id_21331531,SCHEMBL11355049	275.323	VNOPZLYAKAXKDH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040347
OC(=O)C1CCn2c1ccc2C(=O)c1scc(c1)C	SCHEMBL11065094,PC-id_20356062	275.323	WXQFMLMCOSTOIP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040348
s1c2CCCc2cc1C(=O)c1cn(c(c1)C(=O)O)C	PC-id_43463483	275.323	DDJAYDREWQTHAL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-040349
s1c2c(CCC2)c(c1N=Cc1occc1)C(=O)OC	PC-id_24076253	275.323	PWBZWRBERIJJAW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040350
s1c2CCCc2nc1COc1cc(ccc1)C(=O)O	PC-id_24251396	275.323	VNPIFSUGLSCRCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040351
s1c2CCCc2nc1COc1ccc(cc1)C(=O)O	PC-id_24251398	275.323	DOGBMGLDFQJKLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040352
S(=O)(=O)(n1c2c(CCC2=O)cc1)c1ccc(cc1)C	PC-id_11087005	275.323	HQZWGHNKWCFZGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040353
Fc1ccc(nc1)C(NC(c1n2CCCc2nn1)C)C	PC-id_83118095	275.325	HBKRMQBPXMJYKJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040354
Fc1cncc(c1)C(NC(c1nnc2n1CCC2)C)C	PC-id_104663720	275.325	NGXDFIWIXKXXLC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040355
c12CN(Cc1sc(N)n2)Cc1ccc(cc1)C(=O)O	PC-id_82194295,MCULE-4669055245	275.326	OMZPMRVYQUGKQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040356
C1Cn2cccc2C1=NNS(=O)(=O)c1ccccc1	EMOLS-id_300880872,PC-id_91942207,MCULE-2171483099	275.326	RRRSTLAGPBJTGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040357
c1(NC(=O)C=Cc2ccco2)n(C)nc2CSCc12	MCULE-2698233204	275.326	GOSXSCSLXVFICT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040358
Cc1c(nc(s1)C=Cc1nn2CCCc2c1)C(=O)O	EMOLS-id_276236494,MCULE-6736440643,PC-id_136590696	275.326	SZEYJIOVZRBHAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040359
Cc1nc(Nc2sc3c(n2)CCC3)cc(c1)C(=O)O	PC-id_113378591	275.326	LEPRBQQLDMVPFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040360
Cc1[nH]cc(c(=O)c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_103717411	275.326	ZDBRILZRDYMACK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040361
Cc1sc(/C=C/c2cc3n(n2)CCC3)nc1C(=O)O	ZINC22_656613942	275.326	SZEYJIOVZRBHAP-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040362
Cn1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1=O	CoCoCo_4916766,PC-id_45898148,MCULE-1904786703,ZINC22_40119062,EMOLS-id_29601922	275.326	UMAINGDYQOQRGM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040363
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccco1	EMOLS-id_334565810	275.326	GOSXSCSLXVFICT-SNAWJCMRSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040364
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cn1	PC-id_33040619,MCULE-6391119101,EMOLS-id_30661664,ZINC22_25768921	275.326	YBCGTYGNRCLRAV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040365
COC(=O)c1ccnc(c1)Nc1sc2c(n1)CCC2	PC-id_114074992	275.326	PPAPMJDVEKQKFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040366
n12C(=O)CSc1nc(COc1ccc(cc1)CC)n2	PC-id_82357970,MCULE-2576745548	275.326	XPHZVIWOUUOWDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040367
N1C(CCC1=O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1875784518,EMOLS-id_328138923	275.326	UYTYAXXSYOFRHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040368
Oc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)N	PC-id_107074925	275.326	GUYPVBNKIFHWAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040369
O=C(c1cccc(c1O)N)Nc1sc2c(n1)CCC2	PC-id_104205070	275.326	AINFAUULJLRAJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040370
O=C(c1sc2c(c1)CCC2)Nc1ccn(c(=O)n1)C	EMOLS-id_278181299	275.326	HOLJHELPGATTQM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040371
O=C(Cn1ccccc1=O)Nc1nc2c(s1)CCC2	PC-id_45796997,CoCoCo_4109969,MCULE-1951628936,ZINC22_40465972,CHEMBL4549872,EMOLS-id_31853371	275.326	ZLCNJPMMJMWDRS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040372
O=C(Nc1sc2c(n1)CCC2)Cc1ccc(cn1)O	MCULE-7918841608,EMOLS-id_320017569	275.326	NRRFDAHLYNLONW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040373
O(C(=O)c1c2n(CCC2)c(c1NC=[N+](C)C)C#N)CC	PC-id_51890975	275.326	AKDZAYIELVVQEP-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-040374
OC(=O)C1CCc2c1nc(s2)N(c1cccnc1)C	PC-id_104288748	275.326	XUWMLBNCFIJVBE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040375
OC(=O)C1CCc2c1nc(s2)Nc1cccnc1C	PC-id_104289006	275.326	BQMGPTKAMVXAEV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040376
OC(=O)C1CCc2c1nc(s2)Nc1ccc(nc1)C	PC-id_104289151	275.326	QNQUMWHCRJRIBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040377
OC(=O)C1CCc2c1nc(s2)Nc1cnccc1C	PC-id_104288726	275.326	WLASWPUZCSOABG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040378
OC(=O)C1CCc2c1nc(s2)Nc1cncc(c1)C	PC-id_107587141	275.326	DYDJEDBXIJRRLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040379
OC(=O)C1CCc2c1nc(s2)NCc1ccccn1	PC-id_113395662	275.326	DFLVVXAFKOOKOH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040380
OC(=O)C1CCc2c1nc(s2)NCc1cccnc1	PC-id_104287674	275.326	QRRCXRPUNXHGDE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040381
OC(=O)C1CCc2c1nc(s2)NCc1ccncc1	PC-id_113395667	275.326	QGXFFPBDFYDZIF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040382
OC(=O)c1cccc(c1Nc1sc2c(n1)CCC2)N	PC-id_112578498	275.326	CUTXQXYKFMQMKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040383
OC(=O)c1ccc(cc1N)Nc1sc2c(n1)CCC2	PC-id_104500407	275.326	HSFGVVAAKYVOPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040384
OC(=O)c1cccc(c1N)Nc1sc2c(n1)CCC2	PC-id_115545357	275.326	AUOOPLYWYRRECU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040385
[O-][NH+](O)c1ccc(cc1)N/N=C
/c2ccsc2CC1	CNP0445347	275.326	FVKMTCWHXMPETJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040386
[O-][N+](=O)c1ncccc1NCc1sc2c(c1)CCC2	PC-id_112687446	275.326	VOZLXNZMGWSMTE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040387
O=S(=O)(N/N=C
/CCn2cccc12)c1ccccc1	PC-id_75413801,ZINC22_95348713	275.326	RRRSTLAGPBJTGO-OWBHPGMISA-N	00000010100000110000000010000000000000000000000000000000	25-01-040388
s1c2CCCc2cc1CNc1ccc(nc1)[N+](=O)[O-]	PC-id_62544061	275.326	YNFFIRUTZBCEKU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040389
s1c2CCCc2cc1CNc1c([N+](=O)[O-])cncc1	PC-id_61208579	275.326	XOBDSMIOPRCBGH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040390
s1c2CCCc2cc1CNc1ncccc1[N+](=O)[O-]	PC-id_61208377	275.326	RKHKSXMCOFFTLM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040391
s1c2CCCc2cc1CNc1nccc([N+](=O)[O-])c1	PC-id_61709198	275.326	BBXDINORUNJAQS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040392
s1c2CCCc2cc1CNc1ncc([N+](=O)[O-])cc1	PC-id_61208952	275.326	ILABYDWFKIZESC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040393
s1c2c(CCC2)c(c1N(CCC(=O)O)CC#N)C#N	PC-id_82309980	275.326	IVXCFLFXLIFEFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040394
s1c2c(CCC2)c(c1NC(=O)C1CNC(=O)C1)C#N	PC-id_78981916	275.326	OMACAQIRBCASOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040395
s1c2CCCc2nc1C(N)c1ccc([N+](=O)[O-])cc1	PC-id_83345396	275.326	DWMSCXWNUBCMKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040396
s1c2CCCc2nc1C(N)c1cc([N+](=O)[O-])ccc1	PC-id_83345397	275.326	HZRMRUHHZOBUNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040397
s1c2CCCc2nc1C(N)c1c([N+](=O)[O-])cccc1	PC-id_83345398	275.326	LRJZLUFBVHFNMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040398
s1c2CCCc2nc1Nc1c(ccc(N)c1)C(=O)O	PC-id_64049839	275.326	FLTURPXQXGVYAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040399
s1c2CCCc2nc1Nc1cc(c(N)cc1)C(=O)O	PC-id_55134583	275.326	VUQADOAZPLARKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040400
s1c2CCCc2nc1Nc1c(cc(N)cc1)C(=O)O	PC-id_61509933	275.326	GXOQPTPQNRSQBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040401
s1c2CCCc2nc1Nc1c(cnc(c1)C)C(=O)O	PC-id_81243446	275.326	OLOOTNWWVYDGAG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040402
s1c2CCCc2nc1Nc1c(N)cc(cc1)C(=O)O	PC-id_61509969	275.326	ATYJBVOURRMGMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040403
s1c2CCCc2nc1Nc1c(N)ccc(c1)C(=O)O	PC-id_82785666	275.326	NQVLQOJNVIAPPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040404
s1c2CCCc2nc1Nc1nc(c(cc1)C(=O)O)C	PC-id_81857346	275.326	KYQOKRXWSVYLOB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040405
s1c2CN(Cc2nc1N)Cc1cc(ccc1)C(=O)O	PC-id_82194338	275.326	JBNVQZVXCOVODU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040406
s1c2CNCc2nc1NC(=O)c1ccc(OC)cc1	PC-id_82194027	275.326	PRVWUGSZUPRUKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040407
s1c2CN(Cc2nc1N)C(=O)c1ccc(OC)cc1	PC-id_82194140	275.326	FCGZBWGIMLHLBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040408
s1c2CNCc2nc1NC(=O)c1cc(OC)ccc1	PC-id_82194070	275.326	VDGQSTAGLXDCBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040409
s1c2CN(Cc2nc1N)C(=O)c1cc(OC)ccc1	PC-id_82194181	275.326	DEJTXRHLCUGYMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040410
s1c2CNCc2nc1NC(=O)c1c(OC)cccc1	PC-id_82194083	275.326	BRBMDSYHNYRNPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040411
s1c2CN(Cc2nc1N)C(=O)c1c(OC)cccc1	PC-id_82194193	275.326	ORDZTJHKXDTRIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040412
s1c2CNCc2nc1NC(=O)COc1ccccc1	PC-id_82194045	275.326	KTRCEOCOQIMECM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040413
s1c2CN(Cc2nc1N)C(=O)COc1ccccc1	PC-id_82194158	275.326	HKHYVPKTQVXHEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040414
S1c2n(nc(n2)Cc2ccc(OCC)cc2)C(=O)C1	PC-id_82357950	275.326	WSIOJFVGGWBRJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040415
S1c2n(nc(n2)CCCOc2ccccc2)C(=O)C1	PC-id_82357956	275.326	VJLOFVHZBLWRDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040416
S1c2n(nc(n2)COc2c(cccc2C)C)C(=O)C1	PC-id_82357964	275.326	QNHUAFWYWFVLLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040417
S1c2n(nc(n2)COc2c(c(ccc2)C)C)C(=O)C1	PC-id_82357966	275.326	LKKFMZQLTXGKIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040418
S1c2n(nc(n2)COc2c(ccc(c2)C)C)C(=O)C1	PC-id_82357968	275.326	LJBBGYJSMDNZQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040419
S1c2n(nc(n2)COc2cc(CC)ccc2)C(=O)C1	PC-id_82357971	275.326	DETAEINHRISSML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040420
S1Cc2c(noc2NC(=O)Nc2cc(ccc2)C)C1	PC-id_49719372	275.326	VVKILUQUTMHWND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040421
S1Cc2c(noc2NC(=O)Nc2ccc(cc2)C)C1	PC-id_49719373	275.326	YNMPHROACCYPSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040422
S1Cc2c(noc2NC(=O)NCc2ccccc2)C1	PC-id_49719382	275.326	SQVJKQXSRVDKEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040423
c1(NC(=O)c2cnc(cn2)C)n(C)nc2CSCc12	MCULE-7483924839,PC-id_134710374,ZINC22_1529177722,EMOLS-id_316200701	275.33	DRJIFOJBJHBMMM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040424
CNc1cncc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_108078769	275.33	UGZFSIACQKYOPQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040425
CNc1ncc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_107375201	275.33	MIAOKHQITKCPDL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040426
Nc1cnc(c(c1)C(=O)N)Nc1sc2c(n1)CCC2	PC-id_108161485	275.33	ZQVYDFPQOWLVMO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040427
Nc1nc(c(s1)C(=O)NN=C1CCn2c1ccc2)C	MCULE-1941063076,PC-id_71899018,EMOLS-id_44523392	275.33	CCMHIXJPHHVONH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040428
Nc1nc(c(s1)C(=O)N/N=C/1CCn2c1ccc2)C	PC-id_97002777	275.33	CCMHIXJPHHVONH-OVCLIPMQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040429
NC(=O)c1ccc(c(n1)Nc1sc2c(n1)CCC2)N	PC-id_114405926	275.33	UAGFVOLLVBJFNZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040430
NC(=O)c1cc(ncc1N)Nc1sc2c(n1)CCC2	PC-id_105620725	275.33	CNLUJTZTEHNCEX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040431
NNc1ccc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104642506	275.33	ZVBOSDVERJNYMM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040432
NNc1cnccc1C(=O)Nc1sc2c(n1)CCC2	PC-id_113677175	275.33	XKIUBNWYFNQUPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040433
O=C(C1NCc2c1c[nH]n2)Nc1scnc1C1CC1	EMOLS-id_319787852	275.33	ZCUHQSLBYQWJTH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040434
O=C(N1CCn2c1ncc2)c1csc(n1)NC1CC1	EMOLS-id_319035002	275.33	DSPRRENKWDRCEE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040435
O=C(NC1Cc2cscc2C1)[C@@H]1C[C@H]1c1nn[nH]n1	ZINC22_2325814552	275.33	AAZOBRPUMLAVFH-NXEZZACHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040436
s1c2CCCc2nc1NC(=O)c1ccc(nc1)NN	PC-id_62242527	275.33	PKDKWCMJAAHXGV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040437
s1c2CCCc2nc1NC(=O)c1cc(ncc1)NN	PC-id_55050936	275.33	UWTMVFIUDNMEAC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040438
s1c2CCCc2nc1NC(=O)c1c(nccc1)NN	PC-id_62242526	275.33	DIRCZLAUIDVXSH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040439
s1c2CCCc2nc1NC(=O)c1c(NN)ccnc1	PC-id_81255842	275.33	OBUCHVFPRWCPNT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040440
s1c2CCCc2nc1NC(=O)c1nccc(NN)c1	PC-id_62242346	275.33	QESMVZDGQLTIDE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040441
s1c2CCCc2nc1NC(=O)c1nc([nH]n1)C1CC1	PC-id_80385865	275.33	GZSXUBINDWBMGX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040442
s1c2CCCc2nc1NC(=O)c1nc(NN)ccc1	PC-id_62242896	275.33	PSLAQUKGOVKCPW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040443
s1c2CCCc2nc1NC(=O)c1nnc(NC)cc1	PC-id_55047199	275.33	YGGCTNFCWIKEFN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040444
S1CCn2c1nnc2NC(=O)CCc1cccnc1	PC-id_73293210	275.33	WMZLBAPRODMKCQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040445
S1CCn2c1nnc2NC(=O)CCc1ccncc1	PC-id_73293211	275.33	JKLKHDIYGATSOY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040446
S1CCn2c1nnc2NC(=O)NCc1ccccc1	PC-id_73293049	275.33	BRDLGGNPTNEDOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040447
s1c(C(=O)N/N=C/CCn3c2ccc3)c(nc1N)C	PC-id_75362342	275.33	CCMHIXJPHHVONH-NVNXTCNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040448
Cc1ccc(cc1F)C(=O)c1c(N)sc2CCCc12	PC-id_71758357,ZINC22_95347570,EMOLS-id_46217834,MCULE-7875047375	275.341	ILXSEYVYDVLTSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040449
Cc1ccc(F)cc1NC(=O)c1cc2c(s1)CCC2	CoCoCo_3365073,ZINC22_7970644,EMOLS-id_16791358,MCULE-6885268623,PC-id_9097607	275.341	YKUICZLYSWNNBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040450
Cc1cc(F)ccc1NC(=O)c1cc2c(s1)CCC2	ZINC22_7748914,PC-id_8863787,MCULE-3791317312,EMOLS-id_43842134,CoCoCo_3318961	275.341	GKNMBVZCLLQQEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040451
O=C(NCc1ccccc1F)c1cc2c(s1)CCC2	ZINC22_8246482,PC-id_9374739,MCULE-5360338424,EMOLS-id_16796154,CoCoCo_3319965	275.341	ZBZHGSFHTNGVIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040452
s1c2CCCc2cc1CNC(=O)c1ccc(F)cc1	PC-id_61216181	275.341	RHLGOKOWZFEPLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040453
s1c2CCCc2cc1CNC(=O)c1c(F)cccc1	PC-id_61216180	275.341	QIXVOBDOJGTKGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040454
s1c2CCCc2cc1C(=O)Nc1cc(ccc1F)C	PC-id_34749596	275.341	JGIKPOAUPIROQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040455
s1c2CCCc2cc1C(=O)Nc1cc(F)c(cc1)C	PC-id_9210588	275.341	BBBXCEPJERCAPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040456
s1c2CCCc2cc1C(=O)Nc1c(F)cc(cc1)C	PC-id_34749593	275.341	HXXJDPLPKQNXRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040457
s1c2CCCc2cc1C(=O)NCc1ccc(F)cc1	PC-id_8438760	275.341	IIQLMJFSEXQZFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040458
CC1CCC(CC1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_139746935	275.343	UCNRKULHGMOLAF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040459
CCC(S(=O)(=O)N1Cc2c(C1CF)[nH]nc2)CC	PC-id_145523850	275.343	DQHDPXNWQWHOBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040460
COC1C2CCCC2C1NC(=O)c1occ2c1CCC2	EMOLS-id_319800112	275.343	IAIDRPSBERHPES-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-040461
COC(=O)[C@H]1[C@H](CC2CCCCC2)c2c(C1=O)[nH]cc2	PC-id_102285011	275.343	SRQDMUYLQSSDBO-OLZOCXBDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040462
CCS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_43145464,EMOLS-id_37532223	275.345	NYXZVOHOESJZEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040463
COCCNC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175352,PC-id_20882726,ChEMBL-DNDi_CHEMBLC771-0093	275.345	DVXHJVRXDKZGEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040464
COC(=O)c1c(NS(=O)(=O)C)sc2c1CCC2	PC-id_60675002,ZINC22_70245571	275.345	WITHTYUNCISPNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040465
OC(=O)C1CCc2c1nc(s2)C(S(=O)(=O)C)C	PC-id_116632926	275.345	LDBFEGXHCNWIFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040466
s1c2c(CCC2)cc1CNS(=O)(=O)CC(=O)O	PC-id_61207050	275.345	RKIASZHRKPZDFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040467
S1(=O)(=O)Cc2c(C1)cn(S(=O)(=O)CCC=C)c2	PC-id_11119318	275.345	IKGMIMWVNILOSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040468
c12CN(Cc1nn(CCC)c2C#C)C(=O)OC(C)(C)C	EMOLS-id_324360545,MCULE-4027211735	275.346	XJPMAPJBKLEBPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040469
c1(C(=O)N2CCC(CC2)C2(O)CC2)c2CCCc2[nH]n1	MCULE-3414518171,EMOLS-id_317901252,ZINC22_652667361	275.346	OKYBVCLWKXRYNL-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-040470
CC1OC(CN(C1)C(=O)c1n[nH]c2c1CCC2)C1CC1	MCULE-5698997102,EMOLS-id_316161556	275.346	UIKVSQDXNYVWCE-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-040471
CCCc1ccc(CN2Cc3cnn(CCO)c3C2)o1	PC-id_77086619,CHEMBL4566412	275.346	OHYFGSAGRCUYLR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040472
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C2CC2)O1	ZINC22_373428345	275.346	UIKVSQDXNYVWCE-NOZJJQNGSA-N	00100010100010000001100010000000000000000000000000000000	25-01-040473
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](C2CC2)O1	ZINC22_373428348	275.346	UIKVSQDXNYVWCE-RNCFNFMXSA-N	00100010100010000001100010000000000000000000000000000000	25-01-040474
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C2CC2)O1	ZINC22_373428349	275.346	UIKVSQDXNYVWCE-TVQRCGJNSA-N	00100010100010000001100010000000000000000000000000000000	25-01-040475
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](C2CC2)O1	ZINC22_373428350	275.346	UIKVSQDXNYVWCE-ZANVPECISA-N	00100010100010000001100010000000000000000000000000000000	25-01-040476
COC1C2CCCC2C1NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319608800	275.346	IZWABUXRGRARTP-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-040477
COC1C2CCCC2C1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319478228	275.346	XRQFALXCHBOJRM-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-040478
COC1C2CCCC2C1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319714178	275.346	KRPHEPMAKPZAOB-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-040479
COCC(c1ccc(o1)C)NC1CC(n2c1ncc2)C	EMOLS-id_318100372	275.346	QUMZXCRAHUJBBF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040480
O1CC(CN(C2CC2)C(=O)c2n[nH]c3c2CCC3)CC1	PC-id_78880532	275.346	RAJYCWYOLCAOAU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040481
O=C(C12CC1COC2(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320273257,MCULE-8763372934	275.346	BAAAMVGCHMVRFB-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-040482
OC[C@]12C[C@H]1CCCN2C(=O)c1n(C)nc2c1CCC2	MCULE-6913355248,EMOLS-id_319912925	275.346	CRKMUBIZKCYPGU-MEBBXXQBSA-N	00100010100010000001010010000000000000000000000000000000	25-01-040483
O=C(C1CCC(=O)C(C1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98294472	275.346	FSQXERFBOPKMAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040484
O=C(c1nc2c(o1)CN(CC1CCC1)C2)N1CCCC1	EMOLS-id_44366482,CHEMBL3553648,ZINC22_96254367,PC-id_97515419	275.346	XVZONYNFORLVFF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-040485
O=C(c1[nH]c2c(c1)CCC2)N1CC(C1)NC1CCOC1	EMOLS-id_320084935,MCULE-4070798686	275.346	BMWLTVDNKMDNML-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-040486
O=C(c1nn2c(c1)OCC2)NCC1(CCC1)C1CCC1	EMOLS-id_101499333	275.346	HCDUSUHOGNUKBE-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-040487
O=C(c1nn2c(c1)OCC2)N[C@@H]1C[C@H]1C1CCCCC1	EMOLS-id_99608434	275.346	ZZDJKRPUDJOCHH-NWDGAFQWSA-N	00100010100010000001100010000000000000000000000000000000	25-01-040488
O=C([C@@H]1CCO[C@H]1C1CC1)NCc1n[nH]c2c1CCC2	MCULE-6102843969,EMOLS-id_320143838	275.346	VMWKKIARNYBXLR-RISCZKNCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040489
O=C([C@H]1CCO[C@H]1C(=C)C)NCc1cnc2n1CCC2	EMOLS-id_318939005	275.346	XDRHHNLDYKGQNT-JSGCOSHPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040490
O=C([C@H]1CCO[C@H]1C(=C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319570034	275.346	HNJHZZVENDRNFC-FZMZJTMJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040491
O=C(NCC1(C2(O)CCC2)CC1)c1n[nH]c2c1CCC2	MCULE-9518923545,PC-id_136566858,EMOLS-id_316945857,ZINC22_887525545	275.346	OPLGEXXNRBLGJN-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-040492
c1(sccn1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3712194113,EMOLS-id_328197140	275.349	FFCDBWVAKKNXHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040493
CC(Cc1nnc(o1)NCc1cnc2n1CCC2)(C)C	MCULE-9409608009,EMOLS-id_317963515	275.349	CSLIZBFTEPTGRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040494
CN(C(c1ccco1)CNC1CC(n2c1ncn2)C)C	MCULE-1656445522,EMOLS-id_319945950	275.349	KBQPTYRKFRQTNI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040495
CSc1ccc(/C=c/2sc3ncnn3c2=O)cc1	EMOLS-id_2456157,ChEMBL-DNDi_CHEMBL5629-0958,ZINC22_16266765	275.349	LIEQSWTVPJVTQZ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-040496
CSc1ccc(/C=c/sc3ncnn3c2=O)cc1	EMOLS-id_45963782,ZINC22_208413	275.349	LIEQSWTVPJVTQZ-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040497
CSc1ccc(C=c2sc3ncnn3c2=O)cc1	MCULE-9232161456,EMOLS-id_300082244,ZINC22_254855963	275.349	LIEQSWTVPJVTQZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-040498
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)C1CCC1	MCULE-7761706461,EMOLS-id_320208066	275.349	NCHNLJIQVRRNSO-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-040499
O=C(c1ncsc1)Nc1c(C#N)c2c(CCC2)s1	PC-id_63047648,MCULE-5939003668,EMOLS-id_328053252	275.349	OXXTUCMMHZILLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040500
OCCN1Cc2c(C1)n(nc2Cn1cccn1)C(C)C	PC-id_97519271	275.349	LZOHWXQTOJTDIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040501
O=C(N1CCC(C1)C1CC1)NCc1nnc2n1CCC2	EMOLS-id_98263792	275.349	QAHGAWHRCZONKQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040502
O=C(NC(c1nnc2n1CCC2)C)NC1CC2C(C1)C2	EMOLS-id_102187594	275.349	SIIQZUCTJXWQQA-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-040503
FC(CNCc1csc2c1C(C)(C)OC2(C)C)F	PC-id_113626057	275.358	VJIHRHFETGZUGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040504
Cc1ccc(CN(C)C(=O)c2cc3c(s2)CCC3)o1	PC-id_45841152,MCULE-1857290432,ZINC22_40161723,CoCoCo_3643454,EMOLS-id_31888777	275.366	BEICSCFIBFMEGT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040505
C[C@@H](Cc1ccco1)NC(=O)c1cc2c(s1)CCC2	ZINC22_33208198,PC-id_40375868	275.366	RNBRAMBWGKZILU-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-040506
C[C@H](Cc1ccco1)NC(=O)c1cc2c(s1)CCC2	ZINC22_33208199,PC-id_40375869	275.366	RNBRAMBWGKZILU-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040507
CC(NC(=O)c1sc2c(c1)CCC2)Cc1ccco1	MCULE-2911998374,PC-id_51113900,EMOLS-id_31900470	275.366	RNBRAMBWGKZILU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040508
CCOc1cncc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115828976	275.366	ACGHWFUCKPHWQG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040509
COc1ccc(cc1OC)CN1Cc2c(C1)ccs2	PC-id_140122561	275.366	AGMMUTNLFFZYJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040510
s1c2c(CCC2)cc1CNCc1cc(O)c(O)cc1	PC-id_61209129	275.366	JLAPFHHGKOOJFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040511
s1c2c(CCC2)cc1CNCc1c(O)cc(O)cc1	PC-id_61206829	275.366	WPNNGLRMQOLAPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040512
s1c2c(CCC2)cc1CNCc1c(O)c(O)ccc1	PC-id_61320351	275.366	FCUNNVTUVWPUGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040513
s1c2CCCc2cc1C(=O)NC(c1oc(cc1)C)C	PC-id_51187872	275.366	RUXYXPAKZXAGQK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040514
c1(CNC(=O)Cc2ccsc2)c2CCCc2nn1C	MCULE-2495362557,PC-id_91819389,ZINC22_225817987,EMOLS-id_53884647	275.369	RUYMRRJNHHWTDP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040515
c1(C(=O)NCCc2ccc(C)s2)c2CCCc2[nH]n1	EMOLS-id_49890379,PC-id_77092338,ZINC22_216066356,MCULE-9766783436	275.369	WWHIAWZRFIZWHU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040516
c1(C(=O)N(C)Cc2ccc(C)s2)c2CCCc2n[nH]1	PC-id_119058527,MCULE-9560023559,EMOLS-id_82699641,ZINC22_102759795	275.369	OZVLAEVVRHDNJH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040517
c1(C(=O)NCCc2cccs2)c2CCCc2n(C)n1	EMOLS-id_180404722,MCULE-6805664378,PC-id_110678738	275.369	ZJDBPUJGVFHDPW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040518
c1(C(=O)N(C)Cc2sccc2C)c2CCCc2[nH]n1	EMOLS-id_316218970,MCULE-2941513939,ZINC22_334286655	275.369	HFXHYIXNEGFGLY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040519
c1(C(=O)NC(CC)c2cccs2)c2CCCc2[nH]n1	MCULE-4450671691,EMOLS-id_232868149	275.369	HAZWCCHFNSQNHM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040520
c1(NC(=O)CCCn2cccc2)sc2c(CCC2)n1	EMOLS-id_104694321,STOCK7S-63911,MCULE-2411959543,ZINC22_524735687	275.369	RLEFEALGDUYNCI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-040521
Cc1ccc(CN(C)C(=O)c2cn3c(n2)CCC3)s1	MCULE-6231720031,ZINC22_335357364,EMOLS-id_316909217	275.369	HEZODRYYIUQDCC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040522
Cc1ccc(c(=O)n1C)CNc1sc2c(n1)CCC2	MCULE-3557130573,EMOLS-id_318571494	275.369	PGXXSNBMEDTMMW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040523
Cc1[nH]c(c(n1)CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_319451619	275.369	RHVVVFMNWZTCDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040524
Cc1sc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_320142413,MCULE-5768011506	275.369	IGPCBRYXZNYELW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040525
Cc1sc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319649329	275.369	ZNSZNJWNNNCRSU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040526
CCc1ccsc1C(=O)NCc1cnc2n1CCC2	MCULE-5814938292,EMOLS-id_320023255	275.369	HPUSBEANJZPLRE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040527
CCc1c[nH]c(n1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_317971020,MCULE-4135866609	275.369	ABPHRJIFXHHYQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040528
CCc1nc(cc(=O)[nH]1)NCc1cc2c(s1)CCC2	PC-id_136974579	275.369	OCFUCNQKEOCVRF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040529
CCc1[nH]cc(n1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318988828	275.369	ZQNQTAYIHJMHKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040530
CCC(c1[nH]ccn1)NC(=O)c1sc2c(c1)CCC2	PC-id_116337143	275.369	KKCGSLNOAWUZSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040531
CCCc1[nH]nc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_112690518	275.369	ZIDMJRXYZSWDFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040532
CC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1cccs1	ZINC22_132318805	275.369	HAZWCCHFNSQNHM-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-040533
CC[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1cccs1	ZINC22_132319029	275.369	HAZWCCHFNSQNHM-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040534
CCCn1ncnc1CC(=O)c1sc2c(c1)CCC2	PC-id_113658826	275.369	JXDORTGWIXEIST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040535
C[C@@H](Cn1cccn1)NC(=O)c1cc2c(s1)CCC2	PC-id_94176478,ZINC22_48273816	275.369	IJWHBLZZIKUFBK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-040536
C[C@H](Cn1cccn1)NC(=O)c1cc2c(s1)CCC2	ZINC22_48273819,PC-id_94176480	275.369	IJWHBLZZIKUFBK-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040537
C[C@@H](Cn1ccnc1)NC(=O)c1cc2c(s1)CCC2	PC-id_94179027,ZINC22_48303780	275.369	INHJHWFAUOQNJU-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-040538
C[C@H](Cn1ccnc1)NC(=O)c1cc2c(s1)CCC2	ZINC22_48303783,PC-id_94179028	275.369	INHJHWFAUOQNJU-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040539
CC(NC(=O)c1sc2c(c1)CCC2)Cn1cccn1	PC-id_47187312,MCULE-2618359296,EMOLS-id_31935420	275.369	IJWHBLZZIKUFBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040540
CC(NC(=O)c1sc2c(c1)CCC2)Cn1ccnc1	PC-id_51079754,MCULE-2084296638,EMOLS-id_31935676	275.369	INHJHWFAUOQNJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040541
CCOc1ccnc(n1)NCc1sc2c(c1)CCC2	PC-id_112637045	275.369	USLONYORNNZSSL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040542
Cn1cccc1C(=O)NCCc1nc2CCCc2s1	PC-id_110467078,EMOLS-id_181159979,MCULE-7534815185	275.369	IKIGWRJLWULRIF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-040543
Cn1nc(c(c1)C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319397901	275.369	KAEDQGFEHYRWRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040544
CN(c1cccc(c1)OCc1nc2c(s1)CCN2)C	PC-id_93745274	275.369	NUPVPRJQBHFHPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040545
CN(Cc1cnn(C)c1)C(=O)c1cc2c(s1)CCC2	MCULE-7691765948,ZINC22_24476557,PC-id_31848425,EMOLS-id_35692174	275.369	UJKXMOJJMXJWJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040546
COc1ccc(cn1)C(c1sc2c(n1)CCC2)NC	PC-id_114937723	275.369	VBHGLUOVCNGNDX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040547
COc1cccnc1C(c1sc2c(c1)CCC2)NN	PC-id_108215989	275.369	YAUIDBWRYYSYOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040548
COc1cncc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105329738	275.369	HQNMMSJNUPFFGF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-040549
COc1nccnc1C(c1sc2c(c1)CCC2)NC	PC-id_105031785	275.369	SYLJLQWILLRWKV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040550
COc1ncnc(c1)CC(c1sc2c(c1)CCC2)N	PC-id_104303558	275.369	UWKUJIKCWLHYQL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040551
COc1nc(NCc2sc3c(c2)CCC3)nc(c1)C	PC-id_112691833	275.369	VARXKORSMMKLDB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040552
C(=O)(Nc1sc2CCCc2c1C#N)C1CCCCN1	PC-id_61259129,EMOLS-id_328004284,MCULE-5410445597	275.369	IVTNXHOZOBUEHX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040553
C(=O)(Nc1sc2CCCc2c1C#N)C1CCCNC1	MCULE-4653512430,PC-id_61259128,EMOLS-id_327917742	275.369	XKHWRHOTVPZTSR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040554
C(=O)(Nc1sc2CCCc2c1C#N)C1CCNCC1	EMOLS-id_327757801,PC-id_61258949,MCULE-8359066871	275.369	QWIHIQIOUDPXPI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040555
n1c(CNC(=O)CCc2cccs2)c2c(CCC2)[nH]1	PC-id_28100852,ZINC22_19228356,CoCoCo_1413081,CoCoCo_1413082,EMOLS-id_36587958,MCULE-5619953114	275.369	FHXQJYPNGTWNGY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040556
N#Cc1c(NC(=O)C2NCCC2C)sc2c1CCC2	PC-id_102779145	275.369	GWFNIKYICPLDMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040557
N#Cc1c(NC(=O)C(C2CNC2)C)sc2c1CCC2	PC-id_116677290	275.369	YPYNLUOJUPZNFA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-040558
N#Cc1c(NC(=O)[C@H]2CCCCN2)sc2c1CCC2	PC-id_104913704	275.369	IVTNXHOZOBUEHX-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040559
N#Cc1c(NC(=O)[C@@H]2CCCCN2)sc2c1CCC2	PC-id_104913705	275.369	IVTNXHOZOBUEHX-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-040560
N#Cc1c(NC(=O)[C@@H]2CNC[C@H]2C)sc2c1CCC2	PC-id_105573664	275.369	ZPWGSKCPDYXXRT-LDYMZIIASA-N	00000010100000000000000010000000000000000000000000000000	25-01-040561
N#Cc1c(NC(=O)CN2CCCC2)sc2c1CCC2	PC-id_8902006,ZINC22_7786276,EMOLS-id_11892914,MCULE-4195151958,CoCoCo_3564649	275.369	QKEXDSTUIHFXSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040562
N#Cc1c(sc2c1CCC2)NC(=O)C1(CN)CCC1	PC-id_115448420	275.369	SBUSERJKNRTWAT-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-040563
OC(c1ccncc1)CNCc1sc2c(n1)CCC2	PC-id_109948753	275.369	HCNHFEUMGMYCLL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040564
O=C(c1sc2c(c1)CCC2)Cc1ncnn1C(C)C	PC-id_113658464	275.369	QPNVTANPQZSZNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040565
O=C(c1sc2c(c1)CCC2)Nc1n[nH]c(c1)C(C)C	PC-id_112703406	275.369	XZZONYHTSGRHGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040566
O=C(c1sc2c(c1)CCC2)NCc1[nH]c(c(n1)C)C	EMOLS-id_258000898	275.369	FJDAFVMMOPNUQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040567
O=C(c1sc2c(c1)CCC2)NCc1[nH]nc(c1C)C	EMOLS-id_317970073	275.369	FRVZXMQPXYQOJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040568
O=C(c1sc2c(c1)CCC2)NCC(c1[nH]ccn1)C	EMOLS-id_319172998	275.369	MPOKJPJLADPVIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040569
O=C(c1sc2c(c1)CCC2)NCCCc1[nH]ccn1	PC-id_116338913	275.369	OBLPCIRFPWPXTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040570
O=C(c1sc(c(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319454973	275.369	RQQVJBVFZUNCTB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040571
O=C(c1sc(c(c1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320128020,MCULE-3380506133	275.369	PEYJKHMDGFRHKD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040572
O=C(Cc1ccc(s1)C)NCc1cnc2n1CCC2	MCULE-2173832561,EMOLS-id_320059931	275.369	ORDMJGCJVPGQNM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040573
O=C(C(c1cccs1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319976974,MCULE-2878467684	275.369	AFCZCBNLANXKHP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040574
O=C(C(c1cscc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319606269	275.369	CDGOKTAEQUNUMN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040575
O=C(CCc1cscc1)NCc1cnc2n1CCC2	EMOLS-id_320135912,MCULE-1033784535	275.369	NMKNCZLWDHNJHF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040576
O=C(CCc1cscc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318990882	275.369	KVCWRYHCEJCPCD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040577
O=C(NCCCn1cccn1)c1cc2c(s1)CCC2	ZINC22_44911115,PC-id_45811545,MCULE-6419884069,EMOLS-id_31897330	275.369	ITXMDZVWNQXLKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040578
O=C(NCCCn1ccnc1)c1cc2c(s1)CCC2	MCULE-5609812822,PC-id_53503123,EMOLS-id_35680982,ZINC22_65415660	275.369	VCMBLOZSMTWHSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040579
s1c2CCCc2cc1CNc1nccn(c1=O)CC	PC-id_62939714	275.369	VTIGDNKBHWUCBR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040580
s1c2CCCc2cc1CNc1ncnc(OC)c1C	PC-id_66325617	275.369	HGGXJRCWEDLFLO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040581
s1c2CCCc2cc1CNc1nc(nc(OC)c1)C	PC-id_66327113	275.369	RLYNIBBDELLOHE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040582
s1c2CCCc2cc1CNc1ncnc(OCC)c1	PC-id_66329374	275.369	JCIPLNSZGPJTSB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040583
s1c2CCCc2cc1CNC(=O)c1c([nH]nc1C)C	PC-id_61208976	275.369	ZUQQLLVJWXSDPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040584
s1c2CCCc2cc1CNC(=O)c1n(cc(N)c1)C	PC-id_61208928	275.369	BHPJHJAYHFWWSE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-040585
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CC#N	PC-id_63337009	275.369	LXBJFJQPKVUWGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040586
s1c2CCCc2cc1C(=O)Nc1n(ncc1)C(C)C	PC-id_78772825	275.369	XIDGULKQLXDGNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040587
s1c2c(CCC2)c(c1NC(=O)C1(CCNC1)C)C#N	PC-id_55167076	275.369	NVMBCABUVFDFFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040588
s1c2c(CCC2)c(c1NC(=O)C1C(CNC1)C)C#N	PC-id_63714509	275.369	ZPWGSKCPDYXXRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040589
s1c2c(CCC2)c(c1NC(=O)C1CC(N)CC1)C#N	PC-id_66009829	275.369	QZDUOWVJWAUAOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040590
Clc1n(nc2c1CSC2)CCS(=O)(=O)CC	PC-id_83193436	280.795	GLOSPHFQGYLUSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044484
s1c2c(CCC2)c(c1NC(=O)C1C(NCC1)C)C#N	PC-id_79389038	275.369	UASWAJDJVZIFMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040591
s1c2c(CCC2)c(c1NC(=O)C1C(N)CCC1)C#N	PC-id_64823251	275.369	FHBRMDXZBLBSNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040592
s1c2c(CCC2)c(c1NC(=O)C1(NCCC1)C)C#N	PC-id_64384586	275.369	DACSCSFWKKOVCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040593
s1c2c(CCC2)c(c1NC(=O)C1(N)CCCC1)C#N	PC-id_61260394	275.369	SHGBDQBUXUUCHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040594
s1c2c(CCC2)c(c1NC(=O)CC1CCNC1)C#N	PC-id_65955563	275.369	JZBAFJAPIFQBFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040595
s1c2c(CCC2)c(c1NC(=O)CC1NCCC1)C#N	PC-id_61365671	275.369	OZKFHGITXKUITP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040596
s1c2c(CCC2)c(c1NC(=O)CC1(N)CCC1)C#N	PC-id_79854199	275.369	SDXDZKVFYGDWAM-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-040597
s1c2c(CCC2)c(c1NC(=O)CCNC1CC1)C#N	PC-id_61260214	275.369	IDTYHMIVSXJCDL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-040598
s1c2c(CCC2)c(c1NC(=O)CC(N)C1CC1)C#N	PC-id_81992435	275.369	AYXXXCLXTSKQSR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-040599
s1c2c(CCC2)c(c1NC(=O)[C@H]1CCCNC1)C#N	PC-id_81140462	275.369	XKHWRHOTVPZTSR-VIFPVBQESA-N	00000010100010000000000010000000000000000000000000000000	25-01-040600
s1c2c(CCC2)c(c1NC(=O)[C@@H]1CCCNC1)C#N	PC-id_81140618	275.369	XKHWRHOTVPZTSR-SECBINFHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040601
s1c2c(CCC2)c(c1NC(=O)C(N)(C1CC1)C)C#N	PC-id_61260393	275.369	AUWTYWDDFHAUMW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-040602
s1c2c(CCC2)c(c1NC(=O)CNCC1CC1)C#N	PC-id_61260392	275.369	GOYBBBRRWGECOB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-040603
s1c2CCCc2nc1NC(=O)C1(CCCCC1)C#N	PC-id_61461863	275.369	PESLNKJXRNYHQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040604
s1c2CN(Cc2nc1N)CCCOc1ccccc1	PC-id_82194345	275.369	NXYTXHFBAIJHOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040605
s1c2CN(Cc2nc1N)CCOc1ccc(cc1)C	PC-id_82194251	275.369	XVCRIMUKJHWKSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040606
s1c2CN(Cc2nc1N)CCOc1cc(ccc1)C	PC-id_82194304	275.369	WWWJIFVRXNDYIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040607
CNc1ccnc(NCCc2nc3CCCc3s2)n1	MCULE-9060517175,ZINC22_65375366,EMOLS-id_32376026,PC-id_50952292	275.373	OSTCZXZCUPRWHI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040608
Cc1cc(C)c(c(c1)F)C(c1sc2c(c1)CCC2)N	PC-id_106883508	275.384	GILGKVQEHQAOEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040609
CCNC(c1ccccc1F)c1sc2c(c1)CCC2	PC-id_115828202	275.384	AABXXFOBDXPTAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040610
CCNC(c1sc2c(c1)CCC2)c1cccc(c1)F	PC-id_115792308	275.384	SXJCVZLYXGYGKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040611
CNC(c1ccc(cc1C)F)c1sc2c(c1)CCC2	PC-id_115852293	275.384	DHRSDIIXNSAZGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040612
CNC(c1ccc(c(c1)F)C)c1sc2c(c1)CCC2	PC-id_107130129	275.384	QGLXHMQZHHDPEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040613
CNC(c1cc(C)ccc1F)c1sc2c(c1)CCC2	PC-id_115852599	275.384	JVUBXDPVYZLXDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040614
CNC(c1cc(F)ccc1C)c1sc2c(c1)CCC2	PC-id_115851792	275.384	RZOFQNUHNQKZNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040615
CNC(c1sc2c(c1)CCC2)c1cc(C)cc(c1)F	PC-id_105016328	275.384	KHBGEGQRXXRNLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040616
Fc1ccc(c(c1)CC(c1sc2c(c1)CCC2)N)C	PC-id_105377411	275.384	WWSHUFSTJCOUBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040617
Fc1ccc(c(c1)C)CC(c1sc2c(c1)CCC2)N	PC-id_105050976	275.384	AMTPASUYOAYQNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040618
Fc1ccc(c(c1)CNCc1sc2c(c1)CCC2)C	PC-id_115968100	275.384	DEVVFPCERBDAFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040619
Fc1cc(C)c(c(c1)C)C(c1sc2c(c1)CCC2)N	PC-id_106877446	275.384	MRJQUHXDLKHZFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040620
s1c2c(CCC2)cc1C(N)c1cc(c(F)c(c1)C)C	PC-id_65299568	275.384	XXUYMHMEXXFFRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040621
s1c2c(CCC2)cc1CNCc1cc(c(F)cc1)C	PC-id_55040254	275.384	WKRHLMJTFHZGHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040622
s1c2c(CCC2)cc1CNC(c1ccc(F)cc1)C	PC-id_61208346	275.384	NFDRHHVNFRXKFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040623
s1c2c(CCC2)cc1CNCc1c(cc(F)cc1)C	PC-id_62135974	275.384	MURSZUMGLWLJRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040624
s1c2c(CCC2)cc1C(NC)c1cc(c(F)cc1)C	PC-id_79747053	275.384	GVTJIPUOHKANQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040625
s1c2c(CCC2)cc1CNC(c1cc(F)ccc1)C	PC-id_61208351	275.384	AEVAJOIGNNUVEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040626
s1c2c(CCC2)cc1CNCc1cc(F)c(cc1)C	PC-id_63646575	275.384	RGIKIXDVUDUJQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040627
s1c2c(CCC2)cc1CNC(c1c(F)cccc1)C	PC-id_61208151	275.384	SECCREGESLFNMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040628
s1c2c(CCC2)cc1C(NCC)c1ccc(F)cc1	PC-id_43488796	275.384	BDPJCHGUKDRLAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040629
s1c2c(CCC2)cc1C(NC)Cc1ccc(F)cc1	PC-id_61064134	275.384	MQSIWRFKCOGRAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040630
s1c2c(CCC2)cc1C(NC)Cc1cc(F)ccc1	PC-id_61065935	275.384	PKSPENBZAONLJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040631
s1c2c(CCC2)cc1C(NC)Cc1c(F)cccc1	PC-id_61065589	275.384	MQVXTHPOWHQRAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040632
O=C1C(c2n(C1)ccc2)C(=O)CCCCCCCCC	PC-id_71437068	275.386	NFGKTRUYRDJMHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040633
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1CCCCC1	MCULE-6707229268,EMOLS-id_331018937	275.389	ZHALNVNNKGVPDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040634
c1(C(=O)NC2CCCCCCC2)c2CCCc2n(C)n1	EMOLS-id_320481550,MCULE-2542322856,PC-id_84466334	275.389	ZNNFAFOLQDPBRY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-040635
c1(C(=O)NCC)c2CCCc2n(CC2CCCCC2)n1	MCULE-5624704572,EMOLS-id_324387927	275.389	JMMOCVIVXARYAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040636
CCCCCCCCCCC(c1sc2c(c1)CCC2)N	PC-id_115845812	293.51	RDTGUJHGGXUDKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054393
CC1CC(CC(C1)(C)C)C(=O)NC1CCn2c1cnc2	EMOLS-id_177346188,MCULE-8594714367	275.389	CJVAGQDYXYGCNC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040637
CC1CCCCC1CC(=O)NCc1cnc2n1CCC2	EMOLS-id_316959862,MCULE-4531042915,PC-id_136560331	275.389	DKHFFYCASSSMAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040638
CC1CCCC(C1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_318805685	275.389	KZNDTTJISFPXGB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040639
CC1CCC(CC1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319539873	275.389	NVXITLPGYQFYGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040640
CC1CC(C)CC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318812499	275.389	WWYBZHGSYSUHPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040641
CC1CC(C)(C)CCC1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111607594	275.389	MKWYJLVOTDJSRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040642
CC(C1CCCC1NC(=O)c1n(C)nc2c1CCC2)C	EMOLS-id_320074746,MCULE-8361091350	275.389	RRYAGIWEYMCWJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040643
CCC1(CCCCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320149666,MCULE-5332905013	275.389	IVVBZFLOKDQJPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040644
CCC1(CCCCC1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-4470748409,EMOLS-id_320139397	275.389	OZOLTTNFDRIWLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040645
CC(C1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_111524484	275.389	QPBJQDNNNNPIIR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040646
CC(C1CCCN(CC1)C(=O)c1cnn2c1CCC2)C	EMOLS-id_102697589	275.389	QMPHRXBBSHNJNZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-040647
CC(C1(C)CCN(CC1)C(=O)c1cnn2c1CCC2)C	EMOLS-id_102787392	275.389	CJSVDHPREBEYIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040648
CC(C1CCCN(CC1)C(=O)c1nc2n(c1)CCC2)C	EMOLS-id_102947168	275.389	YSWWQJLJXWGGLK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-040649
CC(C1(C)CCN(CC1)C(=O)c1nn2c(c1)CCC2)C	EMOLS-id_102832901	275.389	DRHNVJWGTALHJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040650
CC[C@@H]1CC[C@H](CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320179790,MCULE-9838020493	275.389	WUQKJONNQCHLER-JOCQHMNTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040651
CCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109724	275.389	WEBSRXYXONDYDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040652
CC(C(=O)NCc1n[nH]c2c1CCC2)CC1CCCC1	EMOLS-id_319278442	275.389	BJCPTPZOVDWVLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040653
C[C@@H]1CCCC[C@@H]1CC(=O)NCc1cnc2n1CCC2	ZINC22_1363394669	275.389	DKHFFYCASSSMAL-CHWSQXEVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040654
C[C@@H]1CCCC[C@H]1CC(=O)NCc1cnc2n1CCC2	ZINC22_1363394671	275.389	DKHFFYCASSSMAL-OLZOCXBDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040655
C[C@H]1CCCC[C@@H]1CC(=O)NCc1cnc2n1CCC2	ZINC22_1363394672	275.389	DKHFFYCASSSMAL-QWHCGFSZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040656
C[C@H]1CCCC[C@H]1CC(=O)NCc1cnc2n1CCC2	ZINC22_1363394673	275.389	DKHFFYCASSSMAL-STQMWFEESA-N	00000010100010000001000010000000000000000000000000000000	25-01-040657
C[C@@H]1C[C@H](C(=O)N[C@H]2CCn3cncc23)CC(C)(C)C1	ZINC22_585122579	275.389	CJVAGQDYXYGCNC-AGIUHOORSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040658
C[C@@H]1C[C@H](C(=O)N[C@@H]2CCn3cncc23)CC(C)(C)C1	ZINC22_585122580	275.389	CJVAGQDYXYGCNC-FRRDWIJNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040659
C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCn3cncc23)CC(C)(C)C1	ZINC22_585122581	275.389	CJVAGQDYXYGCNC-JHJVBQTASA-N	00000010100010000001000010000000000000000000000000000000	25-01-040660
C[C@@H]1C[C@@H](C(=O)N[C@H]2CCn3cncc23)CC(C)(C)C1	ZINC22_585122582	275.389	CJVAGQDYXYGCNC-UPJWGTAASA-N	00000010100010000001000010000000000000000000000000000000	25-01-040661
C[C@@H](NC(=O)c1n[nH]c2c1CCC2)CC1CCCCC1	EMOLS-id_100005041	275.389	XVGCCGSSZKTTIV-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040662
CCN1CC(C(C1)(C)C)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_318892559	275.389	ILIRHYUBMWRNOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040663
CN(CCC1CCN(C1)C(=O)c1[nH]c2c(c1)CCC2)C	MCULE-5164924900,EMOLS-id_320186858	275.389	AMQXFIRQFIFABP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040664
CN(C(=O)c1cn2c(n1)CCC2)C1CCC(CC1)(C)C	EMOLS-id_102950463	275.389	NFPRRCFGQFSDNH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040665
CN(C(=O)c1cnn2c1CCC2)C1CCC(CC1)(C)C	EMOLS-id_102816891	275.389	QZAZZPCAZOPTOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040666
CN(C(=O)c1nn2c(c1)CCC2)C1CCC(CC1)(C)C	EMOLS-id_102922226	275.389	QBYMSJGFLSQOMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040667
CN(C(=O)c1n[nH]c2c1CCC2)C1CCC(CC1)(C)C	EMOLS-id_102491820	275.389	IEHJSKXPGNUTHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040668
O=C(C1(C)C(C1(C)C)(C)C)NCc1cnc2n1CCC2	MCULE-9153395656,EMOLS-id_320147824	275.389	SRBCQLRMOMIBRM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040669
O=C(C1(C)C(C1(C)C)(C)C)NCc1n[nH]c2c1CCC2	MCULE-2521712130,EMOLS-id_320083743	275.389	HNPIHFLHGVWIKF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-040670
O=C(C1CCC(CC1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_102911478	275.389	OSENAQQVEIBEEZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040671
O=C(C1CCC(CC1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318860783	275.389	DDBBDOPPTIVEDO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040672
O=C(C1CCCC(C1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319093881	275.389	YPEALGQIRAMHFN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040673
O=C(C1(C)CCCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_102847503	275.389	IFBNRHHSJOBPJT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-040674
O=C(C1(C)CCCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319249910	275.389	XJMCSHUWKLHBBK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-040675
O=C(C1CCCCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319437213	275.389	OEJOTCBLXACCMT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-040676
O=C(C1(C)CCCCCC1)NCc1n[nH]c2c1CCC2	MCULE-8208591894,EMOLS-id_319972644	275.389	PWMOEBZMOSIGLT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-040677
O=C(c1cn2c(n1)CCC2)N1CCC(CC1)C(C)(C)C	EMOLS-id_102942541	275.389	KDGRLKKSDLCQIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040678
O=C(c1cnn2c1CCC2)N1CCC(CC1)C(C)(C)C	EMOLS-id_102783445	275.389	ODKRAUZKEPIUBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040679
O=C(c1cnn2c1CCC2)N1CCCC(C1)C(C)(C)C	EMOLS-id_102793063	275.389	JWFDEZCFFWKBOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040680
O=C(c1cnn2c1CCC2)N1CC(C)(C)CC(C1)(C)C	EMOLS-id_102778395	275.389	LUKBHISEQFRWKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040681
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)C(C)(C)C	EMOLS-id_102783436	275.389	PDJYEQAXYZKICX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040682
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)C(C)(C)C	EMOLS-id_102793057	275.389	XFJPBIYBMDWANT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040683
O=C(c1nn2c(c1)CCC2)N1CC(C)(C)CC(C1)(C)C	EMOLS-id_102778368	275.389	COIQKFGGNNXOMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040684
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)C(C)(C)C	EMOLS-id_102620911	275.389	AXVRMPCBBIWORG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040685
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)C(C)(C)C	EMOLS-id_102722571	275.389	AIGDZUOVPJTUQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040686
O=C(CC1CCCCC1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319518280	275.389	KYYPGMKFGMWUFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040687
O=C([C@@H]1C[C@H]1CC(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318902361	275.389	WSRRBUAOWKIUSH-WCQYABFASA-N	00100010100000000001000010000000000000000000000000000000	25-01-040688
O=C(NCc1cnc2n1CCC2)CCC1CCCCC1	EMOLS-id_318795137	275.389	MNPMFFWFPNNHOB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040689
O=C(NCc1n[nH]c2c1CCC2)CCC1CCCCC1	EMOLS-id_320279352,MCULE-8230440401	275.389	BFBQVPMORHWRJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040690
S1Cc2c(sc(c2)C(=O)NCc2ccccc2)C1	PC-id_4048815	275.389	ZNXUIPLWUIUYGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040691
CCNCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_54972805,EMOLS-id_38381146	275.391	BRGHVMRMMCJDBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040692
CNCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_114140900	275.391	IIJZWYDRHPSONL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040693
CNCC(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053358	275.391	OFVFPHISJCRDSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040694
NCCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053370	275.391	ZXPXSGWCVAOZQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040695
NN(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_143352757	275.391	KGKCGNHGDOVDSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040696
NN[C@@H](C(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL12584650,PC-id_68320764	275.391	QSMUDNQNPSOQAZ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040697
S1(=O)(=O)N(CC(NN)C(C)C)Cc2sccc12	PC-id_77478652	275.391	QSMUDNQNPSOQAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040698
S(=O)(=O)(NCCc1nc2SCCn2c1)CCC	PC-id_7640522	275.391	ZXBRFVSZOBACJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040699
S(=O)(=O)(NCCc1nc2SCCn2c1)C(C)C	PC-id_7640570	275.391	UAWIDMVXPRKRSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040700
c1cc2c(s1)cc(s2)CNC1CCn2c1ncc2	MCULE-9054926962,EMOLS-id_316916842	275.392	YDHGHJPKGIUCKJ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-040701
CC1CC(CN1C1CC1)NC(c1nnc2n1CCC2)C	PC-id_104646647	275.392	YRDHTTSCTAVVCB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-040702
s1c2CCCc2nc1Nc1ccc(cc1)C(=S)N	PC-id_54963800	275.392	UOBMSTAGDDGRIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040703
s1c2CCCc2nc1Nc1c(cccc1)C(=S)N	PC-id_54963801	275.392	VYXPYGGNEMMAKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040704
CCCNC(c1sc2c(c1)CCC2)Cc1ccco1	PC-id_105029253	275.409	UGJSQLSIGULHDT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040705
CCCNC(c1sc2c(c1)CCC2)Cc1ccoc1	PC-id_105029833	275.409	LEHSYGCYCMGSGC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040706
s1c2c(CCC2)cc1CNC(c1c(oc(c1)C)C)C	PC-id_61208942	275.409	ANJZEQOUILGMSA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040707
s1c2c(CCC2)cc1C(NCC)c1c(oc(c1)C)C	PC-id_61717315	275.409	RHOMOWUNSACRQI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040708
s1c2c(CCC2)cc1C(NCC)c1oc(cc1)CC	PC-id_62346748	275.409	SFCCPBGNGCFNFM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040709
s1c2c(CCC2)cc1CNC(CCc1occc1)C	PC-id_61207403	275.409	OIDVXROKRLRUIG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040710
s1c2c(CCC2)cc1C(NCCC)c1oc(cc1)C	PC-id_61716067	275.409	UTZYRGRLXQXPGG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040711
s1c(C(N)c2c3c(oc2C(C)(C)C)CCC3)ccc1	PC-id_83610518	275.409	NKVDWJFTCCRXDU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-040712
CC1CC(c2n1ccn2)NCC(c1cccs1)(C)C	MCULE-9541013275,EMOLS-id_317969505	275.412	AFGONGYIHKMGNL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040713
CCc1cc(n(n1)C)CC(c1sc2c(c1)CCC2)N	PC-id_104998998	275.412	FKPAJANQBRVIJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040714
CC(C1CCSCC1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003063,MCULE-2057537749	275.412	CPBICBCKFCYQAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040715
CCc1nn(cc1CNCc1sc2c(c1)CCC2)C	PC-id_112549490	275.412	SJWHEWILEUUHKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040716
CCCn1ccnc1CC(c1sc2c(c1)CCC2)N	PC-id_105012262	275.412	UTKFJLIMEGFWFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040717
CCCn1ncc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_115807043	275.412	SWWZQMGAECMZEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040718
CCCn1nccc1C(c1sc2c(c1)CCC2)NC	PC-id_115857295	275.412	PNIMRYSJDYFNOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040719
CCCn1nccc1CNCc1sc2c(c1)CCC2	PC-id_114555605	275.412	HLDVBBZQNWROSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040720
CCCNC(c1ccnn1C)c1sc2c(c1)CCC2	PC-id_115858490	275.412	QXSBGZMMDVDIEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040721
CCCNC(c1sc2c(c1)CCC2)c1ccn(n1)C	PC-id_103135444	275.412	YHLQMQGCBNLDFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040722
CC(n1ccc(n1)CC(c1sc2c(c1)CCC2)N)C	PC-id_104989978	275.412	JVKQBVQRQNIXBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040723
CCn1nc(cc1CC(c1sc2c(c1)CCC2)N)C	PC-id_105002564	275.412	WETAWJSDZHUNKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040724
CCn1ncc(c1)CC(c1sc2c(c1)CCC2)NC	PC-id_115822060	275.412	WGHSLRCUGZUAFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040725
CC(NC1CC(n2c1ncc2)C)Cc1ccc(s1)C	MCULE-1080031788,EMOLS-id_317937078	275.412	GBAQRNNCTPGPQR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-040726
CCNC(c1ccnn1CC)c1sc2c(c1)CCC2	PC-id_115858280	275.412	CRSCGIYYLXVPPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040727
CCNC(c1sc2c(c1)CCC2)c1cnn(c1)CC	PC-id_115816364	275.412	NVBOQASHFRKBSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040728
CCNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C	PC-id_105025697	275.412	LFGMSQKIUZRNEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040729
CCNC(c1sc2c(c1)CCC2)Cc1cnn(c1)C	PC-id_115821973	275.412	OILDTTLXIDLEPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040730
CCNC(c1sc2c(c1)CCC2)Cc1nccn1C	PC-id_105011639	275.412	NPXMJFMZUHSQHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040731
CNC(c1sc2c(c1)CCC2)Cc1cc(nn1C)C	PC-id_104995979	275.412	XLJOYPCPRDZSHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040732
CNC(c1sc2c(c1)CCC2)Cc1nccn1CC	PC-id_105009065	275.412	LXPYSTPUVWFFJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040733
CNC(c1sc2c(c1)CCC2)CCc1ccnn1C	PC-id_103030535	275.412	CGYVDSQNCWJWQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040734
CNC(c1sc2c(c1)CCC2)CCc1cnn(c1)C	PC-id_103029761	275.412	FLUJCCYLXKNMJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040735
CNC(c1sc2c(c1)CCC2)CCc1nccn1C	PC-id_105049677	275.412	OIORRABONMCACC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040736
s1c2c(CCC2)cc1CNCc1c(n(nc1C)C)C	PC-id_61207398	275.412	MHAQCTDNDNPOQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040737
s1c2c(CCC2)cc1CNC(c1cn(nc1)CC)C	PC-id_61793808	275.412	VUUBJNGRNMJJOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040738
s1c2c(CCC2)cc1CNC(c1c(nn(c1)C)C)C	PC-id_65197326	275.412	QDTBUXXOASRUAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040739
s1c2c(CCC2)cc1C(NC)c1n(CCC)ccn1	PC-id_61319380	275.412	SCBPKGWJKUGULV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040740
s1c2c(CCC2)cc1CNCc1n(CCC)ccn1	PC-id_62955626	275.412	FKSIGHFSCLDDOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040741
s1c2c(CCC2)cc1CNCc1n(CCC)cnc1	PC-id_66132360	275.412	FIDKVXLLEXCJDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040742
s1c2c(CCC2)cc1CNCc1n(C(C)C)cnc1	PC-id_66164350	275.412	IVHYUUWAOKEBNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040743
s1c2c(CCC2)cc1CNCc1n(nc(c1)C)CC	PC-id_65846683	275.412	ZKTTWTJDUIHMIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040744
s1c2c(CCC2)cc1CNCc1n(nc(c1)CC)C	PC-id_65846684	275.412	ABCYGDADTWOUQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040745
s1c2c(CCC2)cc1CNCc1nn(C(C)C)cc1	PC-id_64772519	275.412	RUHRPUQHRWMRBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040746
s1c2c(CCC2)cc1C(NCC)c1n(CC)ccn1	PC-id_61314639	275.412	TZBGJHOFMPZCTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040747
s1c2c(CCC2)cc1C(NCCC)c1cn(nc1)C	PC-id_43497227	275.412	VGIZACHUWGWLLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040748
s1c2c(CCC2)cc1C(NCCC)c1n(ccn1)C	PC-id_61316345	275.412	YLFJLQRJBXTDPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040749
s1c2c(CCC2)cc1C(NCCC)Cc1[nH]ccn1	PC-id_43497959	275.412	HZTHWBOUNVTEEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040750
CC1CC(CNCc2sc3c(c2)CCC3)CC(=C1)C	PC-id_103276639	275.452	RJQQHHXPSPIIGZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-040751
CCC1CCN(CC1)C(=C)c1c(C)sc2c1CCC2	SCHEMBL19444480	275.452	FDPNJJRFKNPWHU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-040752
CNC(c1sc2c(c1)CCC2)C1=CCCCCCC1	PC-id_106656399	275.452	NFVFDMXLCZAZIM-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-040753
s1c(CNC2CC(C3CC3)CCC2)cc2c1CCC2	PC-id_64625005	275.452	WBUULPSBIXOEDQ-UHFFFAOYSA-N	00100010100010000000100010000000000000000000000000000000	25-01-040754
s1c(C(NCC)C2=CCCCCC2)cc2c1CCC2	PC-id_55194367	275.452	QZYJBFFEIWWOKS-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-040755
s1c(C(NCCC)C2=CCCCC2)cc2c1CCC2	PC-id_63505314	275.452	LPNHNWNZKFYUII-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-040756
Clc1ccc(C(=O)c2n(c3c(OC(=O)C3)c2)C)cc1	PC-id_9860375,SCHEMBL7676913	275.687	RWAHXUVOLWSTRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040757
Clc1ccc(C(=O)c2[nH]c3c(OC(=O)C3)c2C)cc1	SCHEMBL7681712,PC-id_18424166	275.687	WNSWNMCZVJWFJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040758
Clc1cc(C(=O)c2n(c3c(OC(=O)C3)c2)C)ccc1	PC-id_9817015,SCHEMBL7675488	275.687	ZYYPYBLPWMGUFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040759
Clc1c(C(=O)c2n(c3c(OC(=O)C3)c2)C)cccc1	PC-id_9903672,SCHEMBL7676875	275.687	QIQZOGRQHMQLJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040760
N#Cc1cn2c(n1)O[C@@H](C2)COc1ccc(cc1)Cl	PC-id_140261710	275.69	YEFRKZXAQSLYSD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040761
Clc1cc(CC2CCc3c2[nH]c(c3)C(=O)O)ccc1	PC-id_59180216,SCHEMBL1005081	275.73	DKNZCCMXYGPQRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040762
Clc1cc(CC2CCc3[nH]c(cc23)C(=O)O)ccc1	PC-id_59180224,SCHEMBL1005137	275.73	TZGUUOCUFAPWGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040763
Clc1ccc(cc1)CC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1004540,PC-id_44125118	275.73	OXZKQODUNFFTSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040764
Clc1ccc(cc1)C(=O)c1c(C)c2c(n1C)CCO2	PC-id_18424356,SCHEMBL7674449	275.73	AQJBBOWQQNHNNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040765
Clc1c(n2c(C(CC2)C(=O)O)c1)Cc1ccccc1	PC-id_70476385,SCHEMBL10934382	275.73	FIRMBWAUAPLFJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040766
c1(C(=O)Nc2ccc(cc2C)Cl)c2CCCc2[nH]n1	PC-id_110388905,EMOLS-id_179744781,MCULE-5072506124	275.733	OZQCDAVOPQKCPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040767
c1(C(=O)Nc2ccc(cc2C)Cl)cn2c(CCC2)n1	MCULE-1969489338,EMOLS-id_321295578	275.733	XQWAOPBVWAWLIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040768
c1(C(=O)Nc2ccc(cc2)Cl)c2CCCc2n(C)n1	EMOLS-id_179745319,PC-id_110389085,MCULE-1984209992	275.733	AGASJXRNXFIPFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040769
c1(C(=O)Nc2ccccc2Cl)c2CCCc2n(C)n1	MCULE-7575751303,PC-id_110389083,EMOLS-id_179745313	275.733	IQIJQUZFEQXLMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040770
c1(C(=O)Nc2ccc(cc2Cl)C)c2CCCc2[nH]n1	EMOLS-id_323257014,MCULE-9131636342	275.733	UBYXTVYICAASEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040771
c1(C(=O)Nc2c(C)ccc(Cl)c2)c2CCCc2[nH]n1	MCULE-5218344433,PC-id_110388904,EMOLS-id_179744778	275.733	ZPJKDZZPQPRUBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040772
c1(C(=O)Nc2c(C)ccc(Cl)c2)cn2c(CCC2)n1	EMOLS-id_321295322,MCULE-6745780594	275.733	CTAIDUYFLQDTBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040773
c1(C(=O)Nc2cccc(Cl)c2)c2CCCc2n(C)n1	MCULE-3462642445,EMOLS-id_179745316,PC-id_110389084	275.733	BSPUEFXGDCITQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040774
c1(C(=O)Nc2ccc(c(Cl)c2)C)c2CCCc2[nH]n1	EMOLS-id_179744784,MCULE-3356056693,PC-id_110388906	275.733	AWWBLCCBIWUMDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040775
c1(C(=O)Nc2cccc(Cl)c2C)c2CCCc2[nH]n1	MCULE-1635219377,PC-id_110388903,EMOLS-id_179744775	275.733	TYEJUDWEIJUQHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040776
c1(C(=O)Nc2cccc(Cl)c2C)cn2c(CCC2)n1	MCULE-3785567285,EMOLS-id_321295066	275.733	SSEXXCKBQXVLDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040777
c1(C(=O)Nc2ccc(c(Cl)c2)C)cn2c(CCC2)n1	MCULE-4481367046,EMOLS-id_321295834	275.733	WAJFNEGTCVOBJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040778
c1(C(=O)NCc2ccccc2Cl)c2CCCc2[nH]n1	EMOLS-id_179744559,PC-id_110388828,MCULE-4750360048	275.733	DMMSLDNLBSKHAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040779
c1(C(=O)NCc2ccc(cc2)Cl)c2CCCc2[nH]n1	EMOLS-id_179744562,MCULE-7430758941,PC-id_110388829	275.733	WFTBFZDWXIDHSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040780
c1(C(=O)NCc2ccccc2Cl)cn2c(CCC2)n1	EMOLS-id_321296852,MCULE-2507265675	275.733	BPUFSWOQNHMVCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040781
c1(C(=O)NCc2cccc(Cl)c2)c2CCCc2[nH]n1	MCULE-8588971491,EMOLS-id_323255231	275.733	YMLXKNUPQLMGRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040782
c1(C(=O)NCc2ccc(Cl)cc2)cn2c(CCC2)n1	MCULE-8471265815,EMOLS-id_321297108	275.733	KUNGYAMBVYAXGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040783
Clc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319703180	275.733	QLNVUWWTGJINEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040784
Clc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318813566	275.733	VRYKPKDQLNLPRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040785
Clc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319162435	275.733	SRMKEJGQYKMMJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040786
Clc1ccc(CC2(n3c(N(C2=O)C)ncc3)C)cc1	PC-id_74222070	275.733	FWIPDKGLZSRUFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040787
Clc1ccc(CC(=O)Nc2n[nH]c3CCCc23)cc1	PC-id_9814156	275.733	SDPIVLIBDDEFHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040788
Clc1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536261	275.733	HBFZGGFUGDJHCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040789
Clc1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1	PC-id_45536262	275.733	LBNWUPKPQNNKJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040790
O=C(c1ccccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318936829	275.733	MQVQGBLOWYPGSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040791
Clc1cc(c(Nc2sc3CCCc3n2)cc1)C#N	PC-id_62493395	275.757	IBODEGFPCMZYDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040792
Clc1cc(Nc2sc3CCCc3n2)ccc1C#N	PC-id_55154715	275.757	VNECZYKFBFJUCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040793
Clc1c(c(Nc2sc3CCCc3n2)ccc1)C#N	PC-id_62497403	275.757	OCYRHPXVWIFYHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040794
Clc1cc(Nc2sc3CCCc3n2)c(cc1)C#N	PC-id_63093228	275.757	RXGREPOYHXWQNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040795
Clc1c(Nc2sc3CCCc3n2)ccc(c1)C#N	PC-id_55181021	275.757	VCAFTAMEXFSWSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040796
c1(C(N)c2ccc(cc2)Cl)c2CCCc2oc1CC	PC-id_83610225,MCULE-4383262601	275.773	PHRGGMYFEZAFJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040797
CC1CCc2c1c(CN)nn2Cc1ccccc1Cl	EMOLS-id_331014385,MCULE-4449649748	275.777	OAWCPTDSGZPTKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040798
CC1CCc2c1c(CN)nn2Cc1ccc(Cl)cc1	MCULE-7037267394,EMOLS-id_331015666	275.777	FYTGXDKMWLZEBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040799
CC1CCc2c1c(N)nn2Cc1cc(C)ccc1Cl	EMOLS-id_330961145,MCULE-8315735247	275.777	SDIYPJCRJPDWBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040800
CC1CCc2c1c(N)nn2Cc1cccc(C)c1Cl	EMOLS-id_330964984,MCULE-5775455565	275.777	ZECSPJBUDGFPAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040801
CC1CCc2c1c(N)nn2Cc1c(C)cccc1Cl	MCULE-2055524093,EMOLS-id_330964728	275.777	ABSCKOJRAGNXBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040802
CC1CCc2c1c(N)nn2Cc1ccc(C)cc1Cl	MCULE-5242225275,EMOLS-id_330964472	275.777	OMYVTXGWZIXARD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040803
CC1CCc2c1c(N)nn2Cc1cc(C)cc(Cl)c1	EMOLS-id_330963449,MCULE-7604011363	275.777	BORJJBBLHCLVNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040804
CC1CCc2c1c(N)nn2Cc1ccc(C)c(Cl)c1	MCULE-9301489274,EMOLS-id_330962937	275.777	XQHCPNPAKQFROB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040805
CC1CCc2c1c(N)nn2Cc1cccc(Cl)c1C	MCULE-2547221441,EMOLS-id_330963193	275.777	VGBHSHBVSBVCFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040806
CC1CCc2c1c(N)nn2Cc1ccc(Cl)cc1C	MCULE-1408078345,EMOLS-id_330961658	275.777	JFLUPOWEUBFKBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040807
CC1CCc2c1c(N)nn2Cc1ccc(Cl)c(C)c1	MCULE-8534493488,EMOLS-id_330961914	275.777	TWKMXJDHQVATTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040808
CC1CCc2c1c(N)nn2Cc1cc(Cl)ccc1C	MCULE-9236818919,EMOLS-id_330963705	275.777	NFFSOZOWZPXVBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040809
CC1CCc2nn(Cc3ccccc3Cl)c(CN)c12	MCULE-1558459116,EMOLS-id_330996155	275.777	BGWCITPJZYZKTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040810
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(N)c12	EMOLS-id_331013541,MCULE-6646940895	275.777	RNUPGBTXWBEXDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040811
CC1CCc2nn(Cc3cccc(C)c3Cl)c(N)c12	EMOLS-id_331014053,MCULE-3377110055	275.777	ZEGLUHCMMGLCLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040812
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(N)c12	MCULE-4204266791,EMOLS-id_331010214	275.777	RTXPBOLGVGIQKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040813
CC1CCc2nn(Cc3c(C)cccc3Cl)c(N)c12	MCULE-4704806254,EMOLS-id_331013797	275.777	RPGBXPWIRXSKTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040814
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(N)c12	EMOLS-id_331012006,MCULE-2733835929	275.777	IQHPLDOWPSMMTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040815
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(N)c12	EMOLS-id_331012518,MCULE-9946864235	275.777	MCCZFQRTOFYWAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040816
CC1CCc2nn(Cc3cccc(Cl)c3C)c(N)c12	EMOLS-id_331012262,MCULE-8598572185	275.777	RKFVUKXEAPDZOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040817
CC1CCc2nn(Cc3ccc(Cl)cc3)c(CN)c12	EMOLS-id_330997436,MCULE-6979073918	275.777	GDSPTHXMCLXSCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040818
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(N)c12	EMOLS-id_331010727,MCULE-6021588313	275.777	ZKXDLUIEMFTYJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040819
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(N)c12	MCULE-5608714209,EMOLS-id_331010983	275.777	GCTLTPJACNTERF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040820
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(N)c12	EMOLS-id_331012774,MCULE-7556184226	275.777	UJIYLWSQTPKPRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040821
Cc1ccc(cc1Cl)CNC1CC(n2c1ncc2)C	EMOLS-id_318078964,MCULE-4133888177	275.777	JPOWKIBBUFCEML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040822
Cc1ccc(c(c1)Cl)CNC1CC(n2c1ncc2)C	MCULE-3183850423,EMOLS-id_318207335	275.777	SFDBIDQERYZEFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040823
Cc1cc(CNC2CC(n3c2ncc3)C)cc(c1)Cl	EMOLS-id_318317564,MCULE-4707277401	275.777	CAWWZWWAGBSVPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040824
CC(c1nn2c(c1)CCC2)NCc1ccccc1Cl	MCULE-5425766780,EMOLS-id_318371396	275.777	BHNNGLBPQOLLOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040825
C[C@H](c1ccccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_318254223,MCULE-5700283641	275.777	MQRCXXGHPGAPLH-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040826
C[C@@H](c1ccccc1Cl)NCc1cnc2n1CCC2	MCULE-1485761395,EMOLS-id_318243708	275.777	MQRCXXGHPGAPLH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-040827
Clc1ccc(cc1C)CNC1CC(n2c1ncc2)C	EMOLS-id_318326576,MCULE-4817195303	275.777	CMPISZRHAHAZQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040828
Clc1ccc(c(c1)C)CNC1CC(n2c1ncc2)C	MCULE-3045399123,EMOLS-id_318261058	275.777	DEBNIMSBCVBRQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040829
Clc1cccc(c1)CCNC1CC(n2c1ncc2)C	MCULE-5002341627,EMOLS-id_317924799	275.777	XDAHWIBQVPSPSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040830
Clc1ccccc1CCNC1CC(n2c1ncc2)C	MCULE-6641473605,EMOLS-id_318362680	275.777	CZGFDYFHEBRSBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040831
Clc1ccc(cc1)CCNC1CC(n2c1ncc2)C	MCULE-9595398105,EMOLS-id_317946281	275.777	HFZDAZRSYCDKQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040832
Clc1ccc(cc1C)CNCc1cnc2n1CCC2	MCULE-1513128257,EMOLS-id_318388743	275.777	SJOMBNGDWMJONC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040833
Clc1ccc(cc1)[C@@H](NCc1cnc2n1CCC2)C	MCULE-8266690523,EMOLS-id_317947805	275.777	ZMOHWKWJISJDAE-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-040834
Clc1ccc(cc1)[C@H](NCc1cnc2n1CCC2)C	MCULE-8499111219,EMOLS-id_317970085	275.777	ZMOHWKWJISJDAE-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040835
Clc1ccc(cc1)C(NCc1cnc2n1CCC2)C	EMOLS-id_317921670,MCULE-8272088830	275.777	ZMOHWKWJISJDAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040836
Clc1cccc(c1)C(NCc1cnc2n1CCC2)C	EMOLS-id_318390537,MCULE-6830058370	275.777	QRRLFFVFPURQDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040837
Clc1ccc(cc1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318104888,MCULE-1540300364	275.777	LSWTVWGNFGETFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040838
Clc1cccc(c1)CNC(c1nn2c(c1)CCC2)C	MCULE-8978045297,EMOLS-id_318307332	275.777	QXYYWBLMLLTWQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040839
Clc1c(C)cc(cc1C)NCc1cnc2n1CCC2	EMOLS-id_317925220,MCULE-4185186705	275.777	POQRWWYNCQCFLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040840
Clc1cc(C)c(cc1NCc1cnc2n1CCC2)C	EMOLS-id_318190913,MCULE-3181797573	275.777	YVARIGPGOFSUMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040841
Clc1ccc(Cn2nc3c(C(CC3)(C)C)c2N)cc1	PC-id_79866640	275.777	WFCSIBMRGKIZGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040842
Clc1cc(Cn2nc3c(C(CC3)(C)C)c2N)ccc1	PC-id_79866760	275.777	DXGYBALVBJRUMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040843
Clc1c(Cn2nc3c(C(CC3)(C)C)c2N)cccc1	PC-id_79866879	275.777	SGTWSCRHCQSEMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040844
[Te]1c2c(scc2)N=C1CC#N	PC-id_86151475	275.785	JMXXZAUCOXPDJX-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-040845
CCC(NC1CCc2c1cc(s2)Cl)(CO)CO	PC-id_113354756	275.795	JATDKOGRTMVBSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040846
Clc1sc2c(C(NCCOCCOC)CC2)c1	EMOLS-id_315605375,PC-id_81252499	275.795	NSERYUZIPZAUKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040847
Clc1sc2c(C(NC(C(OC)OC)C)CC2)c1	PC-id_81252603	275.795	YANPAGVUJLRAGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040848
COCC(CCNC1CCc2c1cc(s2)Cl)O	PC-id_103906146	275.795	BBDCZPIRSDUXQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040849
COCC(NC1CCc2c1cc(s2)Cl)CCO	PC-id_106156702	275.795	RZIRCZNBPBFYCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040850
COC(COC)CNC1CCc2c1cc(s2)Cl	PC-id_104042428	275.795	LFPRHUSJBQEQRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040851
OCCOCCCNC1CCc2c1cc(s2)Cl	PC-id_104006633	275.795	DMRLHQJZRNMWAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040852
CC(NC1CCc2c1cc(s2)Cl)CCSC	PC-id_116125562	275.861	NZYKZBRKOBGPIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040853
CC(NC1CCc2c1cc(s2)Cl)CSCC	PC-id_116290677	275.861	YZHJQISRVDIRMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040854
CC(SC)CCNC1CCc2c1cc(s2)Cl	PC-id_116252806	275.861	PLIJHMXJHCQNLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040855
Clc1sc2c(C(NCC(CSC)C)CC2)c1	PC-id_81251744	275.861	WHWJJXGFFRFGGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040856
CSCCCCNC1CCc2c1cc(s2)Cl	PC-id_116204425	275.861	IFGXOBGVVPRXNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040857
CSCC(NC1CCc2c1cc(s2)Cl)CC	PC-id_115901644	275.861	RLJJZBQGBPFDCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040858
CSC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_116136713	275.861	NTTPDVKLNQIOLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040859
C#CC#CC#COC(=O)C1=C(C2=C(S1)CSC2)F	PC-id_153423595	275.971	RHOHTJCVYORJFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040860
CNC(=O)C1=C(C(=C2N1CC=C2)S(=O)(=O)O)Cl	PC-id_155278718	275.997	MWQPXSADEIABGQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-040861
S1c2n(nc(n2)Cc2c([N+](=O)[O-])cccc2)C(=O)C1	PC-id_82357998	276.271	CPZNRQKOSNXCQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040931
CC(C)C1C(=C(C#N)C#N)C2=CSC(=C2C1=O)Cl	PC-id_155267954	276.012	YBMRDRNQMMRLAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040862
C1C2=C(CN1C(=O)CC3=CC=CS3)NN=C2C(=O)[O-]	PC-id_153795586	276.045	YDGLCJGYRBXDTG-UHFFFAOYSA-M	00000010100100000001000010000000000000000000000000000000	25-01-040863
C#C[C@@H]1CC2=C(C1(F)F)N(N=C2C(F)F)CC(=O)O	PC-id_153199249	276.052	WJOYNTLYYFGVAC-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040864
CC1(Cn2cc(nc2O1)[N+](=O)[O-])Cn1ccc(=O)cc1	PC-id_164057838	276.086	WEFNJKCQSBUHDC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040865
c1(C#N)c2CNCc2sc1I	EMOLS-id_331066414,MCULE-7783755528	276.097	PGFWTBGEXIXATJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040866
c12C(C)CCc1n(nc2I)CC	MCULE-5382848453,EMOLS-id_330983667	276.117	UDWRMBXGTKYOMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040867
c12C(C)CCc1nn(CC)c2I	MCULE-4018112865,EMOLS-id_330969012	276.117	ZWQFTPHNAUOVDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040868
CC(C)n1nc2CCCc2c1I	EMOLS-id_324387163,MCULE-8115987145	276.117	DAOICUMKSRTZEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040869
CC(C)n1nc(I)c2CCCc12	MCULE-9245440579,EMOLS-id_324390224	276.117	BRCGWNWCEKEUKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040870
CC1Cn2c(O1)nc(c2C(N(C)C)O)Br	PC-id_101246596	276.13	XRNPHHILWXKJHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040871
Brc1c2CCCc2sc1C(N)C(=O)O	PC-id_84810993	276.15	SQNVAIYVDIRMAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040872
Brc1sc2c(C(N)(CC2)C(=O)OC)c1	PC-id_83913848	276.15	SSXDDHFSPSFSGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040873
Brc1sc2C(N)(CCc2c1)C(=O)OC	PC-id_83913847	276.15	ZRBATNZKVOPQDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040874
c12c(CCC1C(=O)OCC)sc(Br)n2	MCULE-2456375416,PC-id_59732655,EMOLS-id_208094430,SCHEMBL1155477	276.15	NDIRMICWMIOSPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040875
c12CN(Cc1sc(Br)c2C(=O)OC)C	EMOLS-id_331065640,MCULE-9410179810	276.15	CQLLDJJHYACIHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040876
c1(C(=O)OCC)c2CNCc2sc1Br	EMOLS-id_331063341,MCULE-4459619351	276.15	NMCUIFGWKPPPDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040877
c1(C(=O)OC)sc2CN(Cc2c1Br)C	MCULE-9860084653,EMOLS-id_330871622	276.15	QBNQNTOUIWVCDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040878
CCOC(=O)c1sc2CNCc2c1Br	EMOLS-id_336500693,MCULE-3996374335	276.15	CZDSOKOYEJYUMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040879
COCCN1Cc2c(C1=O)cc(s2)Br	SCHEMBL17873712,PC-id_121439691	276.15	VPMRRGZQEXHSAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040880
COCCN1Cc2c(C1=O)sc(c2)Br	PC-id_140122552	276.15	TYZODNZITIVDCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040881
OC(=O)CNC1CCc2c1cc(s2)Br	EMOLS-id_262195264	276.15	JOMOYCMRYSIBDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040882
BrCCC(=O)Nc1sc2c(n1)CNC2	PC-id_82194059	276.153	MULRKVUZMSVUPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040883
Brc1cc(CC2CCc3c2[nH]cc3)ccc1	PC-id_68402446,SCHEMBL12844678	276.172	MQZZUKZJTWUSKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-040884
Clc1sc(c2c1CN(C2)CC1=NCCN1)Cl	PC-id_67790045,SCHEMBL9408068	276.185	MJWSMVQCTXGFGO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-040885
N#Cc1c(N)nn2c1NNP2(=O)Oc1ccccc1	PC-id_139216976	276.191	QHWCGMCXBUOOIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040886
Brc1c2CCCc2sc1C(N)CCO	PC-id_84811000	276.193	AZEYEJNFFPPHCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040887
Brc1c2CCCc2sc1C(O)CCN	PC-id_84811001	276.193	CRFSRVWDGAPIBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040888
Brc1c2CCCc2sc1C(O)CNC	PC-id_84810995	276.193	XSOQFQYQFPEESD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040889
Brc1c2CCCc2sc1C(O)C(N)C	PC-id_84811002	276.193	JZSQIBIXPUWPNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040890
Brc1sc2c(c1N)C(OC2(C)C)(C)C	EMOLS-id_262197809,PC-id_114749281	276.193	YMYCFGRBCJYOQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040891
BrCCCCn1sc2c(CCC2)c1=O	PC-id_85734212	276.193	KGILSPFGHIRESW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040892
CC(CNC1CCc2c1cc(s2)Br)O	EMOLS-id_303964872	276.193	FJSCMDVWFIMUKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040893
C[C@H](CNC1CCc2c1cc(s2)Br)O	EMOLS-id_262199098	276.193	FJSCMDVWFIMUKD-XPJFZRNWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040894
C[C@@H](CNC1CCc2c1cc(s2)Br)O	EMOLS-id_262199134	276.193	FJSCMDVWFIMUKD-UUEFVBAFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040895
C[C@H](NC1CCc2c1cc(s2)Br)CO	EMOLS-id_262199074	276.193	NTLZPNFANDXBFZ-UUEFVBAFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040896
C[C@@H](NC1CCc2c1cc(s2)Br)CO	EMOLS-id_262199107	276.193	NTLZPNFANDXBFZ-XPJFZRNWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040897
CC(NC1CCc2c1cc(s2)Br)CO	EMOLS-id_107842748	276.193	NTLZPNFANDXBFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040898
CC(ONC1CCc2c1cc(s2)Br)C	EMOLS-id_262197457	276.193	ZYPBUMQBBOGKOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-040899
CCOC(=O)CC1Cc2c(C1=O)c(n[nH]2)C(F)(F)F	SCHEMBL14484496,PC-id_71184988	276.212	QFJVHEQRDKZRCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040900
CCOC(=O)CC1CC(=O)c2c1c(n[nH]2)C(F)(F)F	SCHEMBL14484959,PC-id_71185287	276.212	ULPRBOAGFYBXJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040901
CCOC(=O)Cn1nc(c2c1CCC2=O)C(F)(F)F	SCHEMBL14555821,PC-id_71204612	276.212	CSCDEZSEKBFGSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040902
CCOC(=O)Cn1nc(c2c1C(=O)CC2)C(F)(F)F	PC-id_71204607,SCHEMBL14555812	276.212	NCAYHDRUAJPNHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040903
CNC(=O)c1n[nH]c2c1CN(C2)C(=O)CC(F)(F)F	PC-id_142498966	276.215	HJQSMZOOEJBRBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040904
c1(NC(=O)c2ccc(N(=O)=O)o2)n(C)nc2CCCc12	PC-id_30859095,EMOLS-id_30131757,MCULE-3106000721,ZINC22_23135654,CoCoCo_5272998	276.248	BIQNHSYYNPTOBL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040905
O1C(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)C)C(=O)C=C1	SCHEMBL2946880,PC-id_68453197	276.248	WUSHYJAZEADFGA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-040906
O=C(NCc1n2CCCc2nn1)c1[nH]c(=O)[nH]c(=O)c1	PC-id_52024805	276.251	YIBSNDRDPNXXPO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040907
c1(C(=O)OCC)c2C(C)CCc2n(CC(F)(F)F)n1	EMOLS-id_331001590,MCULE-4189418565	276.255	VKTFMYQWHKOMPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040908
CCOC(=O)c1c2C(C)CCc2nn1CC(F)(F)F	EMOLS-id_330983607,MCULE-8733103486	276.255	HEFVYJYPJJWPQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040909
COC(=O)c1c2C(C)CCc2nn1C(C)C(F)(F)F	MCULE-2784473860,EMOLS-id_330975921	276.255	FUODIVAWBSFKRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040910
COC(=O)c1nn(C(C)C(F)(F)F)c2CCC(C)c12	EMOLS-id_330990070,MCULE-2818359531	276.255	AWGGROUAPNYJHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040911
FC(F)(F)c1nn(c2c1CCC2)CC(=O)OC(C)C	PC-id_788047	276.255	CIXZDTKKLHMBFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040912
c12CN(Cc1nn(CC)c2C(=O)NC)CC(F)(F)F	EMOLS-id_324353900,MCULE-6565809629	276.258	HBELTLUHWZLHMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040913
c12CN(Cc1nn(C(C)C)c2C=NO)CC(F)(F)F	EMOLS-id_324354668,MCULE-1288592359	276.258	SWSJLBXHXFDMPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040914
c1(C(=O)N(C)C)n(C)nc2CN(CC(F)(F)F)Cc12	EMOLS-id_324350569,MCULE-9013912805	276.258	NBAYDHVVXJOKLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040915
OC1(CCN(C1)CC1CCc2n1ncn2)C(F)(F)F	EMOLS-id_316091025,MCULE-6412458842	276.258	AUYMHJQFJODERY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040916
O[C@]1(C(F)(F)F)CCN(C[C@H]2CCc3ncnn23)C1	ZINC22_639512221	276.258	AUYMHJQFJODERY-PSASIEDQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040917
O[C@@]1(C(F)(F)F)CCN(C[C@H]2CCc3ncnn23)C1	ZINC22_639512222	276.258	AUYMHJQFJODERY-SCZZXKLOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040918
O[C@]1(C(F)(F)F)CCN(C[C@@H]2CCc3ncnn23)C1	ZINC22_639512223	276.258	AUYMHJQFJODERY-WCBMZHEXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040919
O[C@@]1(C(F)(F)F)CCN(C[C@@H]2CCc3ncnn23)C1	ZINC22_639512224	276.258	AUYMHJQFJODERY-WPRPVWTQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040920
CCc1ncc(cc1NC(=O)c1nn2c(c1)OCC2)F	EMOLS-id_319587034	276.266	SVKFUGBVQTXPJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040921
COc1cnc(c(c1)F)C(=O)NC1CCn2c1cnc2	EMOLS-id_316992358,MCULE-8828355367	276.266	SHPBUVLPHZGGGE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040922
COc1cnc(c(c1)NC(=O)c1cnn2c1CCC2)F	EMOLS-id_316558001	276.266	KKPXCDSGQVMKRR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040923
COc1cnc(C(=O)N[C@H]2CCn3cncc23)c(F)c1	ZINC22_898811175	276.266	SHPBUVLPHZGGGE-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-040924
COc1cnc(C(=O)N[C@@H]2CCn3cncc23)c(F)c1	ZINC22_898811176	276.266	SHPBUVLPHZGGGE-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040925
O=C(c1ccc(c(c1)O)F)NC1CC(n2c1ncn2)C	MCULE-2212826348,EMOLS-id_320118273	276.266	KBMVQRKRFBQCSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040926
O=C(c1nn2c(c1)OCC2)NCc1nccc(c1F)C	EMOLS-id_319237285	276.266	LERKOVMYRCIUMX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040927
Fc1ccc(cn1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319314877	276.27	RVTIBSANGROFSX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040928
Fc1ccc(nc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319155426	276.27	PISYNTOJRVWVQY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040929
Fc1cncc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319585825	276.27	YMBFITIBOUEDBO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-040930
CC1CCc2c1c(C=O)nn2Cc1cccc(F)c1F	MCULE-8643922071,EMOLS-id_331001855	276.281	ROZWGQCGGPCXMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040932
CC1CCc2c1c(C=O)nn2Cc1ccc(F)cc1F	EMOLS-id_331000063,MCULE-4052063779	276.281	OVHMVSAEQSIUHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040933
CC1CCc2c1c(C=O)nn2Cc1ccc(F)c(F)c1	EMOLS-id_330999807,MCULE-7337099341	276.281	QGYRHVMIQTYGBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040934
CC1CCc2c1c(C=O)nn2Cc1cc(F)ccc1F	MCULE-5935002965,EMOLS-id_331002352	276.281	QLRZSTDNPAFTPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040935
CC1CCc2c1c(C=O)nn2Cc1cc(F)cc(F)c1	MCULE-2231943600,EMOLS-id_331004400	276.281	YWSWBEWATADUTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040936
CC1CCc2c1c(C=O)nn2Cc1c(F)cccc1F	EMOLS-id_331002096,MCULE-3686404772	276.281	YYJYCQBXBZDKQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040937
CC1CCc2nn(Cc3cccc(F)c3F)c(C=O)c12	EMOLS-id_330981563,MCULE-1938476112	276.281	JINDWZLXITZDHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040938
CC1CCc2nn(Cc3ccc(F)cc3F)c(C=O)c12	MCULE-8548042322,EMOLS-id_330983866	276.281	KUUVLJMUYDFJRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040939
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(C=O)c12	EMOLS-id_330983610,MCULE-3292242908	276.281	PESYKTGQBVUNTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040940
CC1CCc2nn(Cc3cc(F)ccc3F)c(C=O)c12	MCULE-2999770299,EMOLS-id_330982075	276.281	NUWAEPRNVNDRJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040941
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(C=O)c12	EMOLS-id_330984123,MCULE-9857039443	276.281	UYONIPZCCKZWFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040942
CC1CCc2nn(Cc3c(F)cccc3F)c(C=O)c12	EMOLS-id_330981819,MCULE-7469193374	276.281	RMJBISWAQUKXSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040943
O1C(n2c(C1)c(O)n(c2=O)Cc1ccc(OC)cc1)C	PC-id_53934166	276.288	ITFGAXPKTUJYEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040944
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)[O-]	PC-id_4249734	276.288	QEJWSZQBVQQCHL-UHFFFAOYSA-M	00000010101000000000000010000000000000000000000000000000	25-01-040945
CC(c1nnc2n1CCC2)NCc1occ(c1)C(=O)O	PC-id_104608594	276.291	BFWNQNROIZQPHE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040946
CC#CCNC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319081490	276.291	NDAKBBBBYNMRSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040947
C=C=CCNC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319315197	276.291	MHOJPQRHLOYBMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040948
C#CCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319445792	276.291	UJXDZHZPXUMBMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040949
CCOc1occ(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319598147	276.291	XKTOHNHEYLFKRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040950
COCc1nocc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318783999	276.291	NKMFCMCDOLDYHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040951
COCc1onc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318868647	276.291	TZJFLUSLGVXEPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040952
COC(=O)c1c(NC(=O)N2CC(=C)C2)nc2n1CCC2	EMOLS-id_319056157	276.291	KAEVKCXPBJFDJI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-040953
COC(=O)c1c(NC(=O)N2CC=CC2)nc2n1CCC2	EMOLS-id_319370990	276.291	ZMKJVUYCTNEXDG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-040954
o1c(CNC(c2n3CCCc3nn2)C)ccc1C(=O)O	PC-id_63317560	276.291	BTGGWVPQOMLDKS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-040955
O=C1CCC(C(=O)N1C)NC(=O)c1cnn2c1CCC2	EMOLS-id_102227820	276.291	DRAVFDNNPXHMIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040956
O=C1CCC(C(=O)N1C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_102227793	276.291	VLQQNAWPRILROQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040957
O=C1CCC(C(=O)N1C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_102247038	276.291	JIGHNYQCFICBPX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-040958
O=C1CN(CCN1C1CC1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99580553	276.291	DVXJKJGGPFZWMU-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-040959
OC[C@H]1C[C@H](c2c1n(C)nc2)Cn1ccc(=O)[nH]c1=O	PC-id_101387637	276.291	ZFVXYTDHHVGJIG-DTWKUNHWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040960
OC[C@H]1C[C@H](c2n(ncc12)C)Cn1c(=O)[nH]c(=O)cc1	PC-id_15946736	276.291	JRJAPNORZGUUAC-DTWKUNHWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040961
O=C(NCc1cnc2n1CCC2)COc1noc(c1)C	EMOLS-id_319916867,MCULE-9377535518	276.291	PUJLNBJKVNQKMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040962
O=C(NCc1n[nH]c2c1CCC2)COc1noc(c1)C	EMOLS-id_319337362	276.291	DUYYTOSTMCPACB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040963
CC[C@@H](NC(=O)c1cnn2c1NCC2)c1noc(C)n1	ZINC22_1875277049	276.294	AOJQKDJMYLAEEO-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040964
CC[C@H](NC(=O)c1cnn2c1NCC2)c1noc(C)n1	ZINC22_1875277050	276.294	AOJQKDJMYLAEEO-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-040965
CN(Cc1nnc2n1CCC2)C(=O)C1=NNC(=O)CC1	MCULE-1066241412,EMOLS-id_36268944,PC-id_53523740,ZINC22_37502968	276.294	GPRGAEISHHLMKA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-040966
COCc1nc(O)cc(NCc2nnc3n2CCC3)n1	ZINC22_891655262	276.294	GIONMRILOXVFQZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-040967
[nH]1c(CCC(=O)NCc2c3CCCc3[nH]n2)n[nH]c1=O	ZINC22_1940198195,MCULE-2352870343,EMOLS-id_336464846	276.294	TZSKCTMIJDIRNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040968
O=C(Cn1ncn(c1=O)C)NC1CC(n2c1ncc2)C	MCULE-2512209256,EMOLS-id_319900138	276.294	KIQBGVQKOCVTKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040969
O=C(N1CCn2c1ncc2)CCc1onc(n1)N(C)C	EMOLS-id_279043854	276.294	VVXQXABOMSFIKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040970
O=C(NC(c1n2CCCc2nn1)C)C1=NNC(=O)CC1	PC-id_60763986	276.294	UDDRWPZELLMFLF-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-040971
O=C(N(Cc1n2CCCc2nn1)C)Cn1nc(nc1)N	PC-id_61107839	276.298	OAHDVBGNMBKWOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040972
c12CN(Cc1nn(CCC)c2CNC)CC(F)(F)F	EMOLS-id_324352609,MCULE-9663451838	276.301	ZBUDEFRRECXKGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040973
c12CN(Cc1nn(C(C)(C)C)c2CN)CC(F)(F)F	EMOLS-id_324347246,MCULE-7109336483	276.301	OPJNZJHCUHALMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040974
CCOC(=O)C1CCc2c1nc(s2)NCC(F)F	EMOLS-id_259895963,PC-id_104289170	276.303	XXESEWYARCPXMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040975
O=C(N[C@H](CO)CC(F)F)c1nc2c(s1)CCC2	ZINC22_416222844	276.303	NLIXLSREMVDKAZ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-040976
O=C(N[C@@H](CO)CC(F)F)c1nc2c(s1)CCC2	ZINC22_416222845	276.303	NLIXLSREMVDKAZ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-040977
COc1cccc(Cn2nc3CCC(C)c3c2O)c1F	EMOLS-id_331003820,MCULE-3530324611	276.306	NPTSQHYGBHBDMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040978
COc1cccc(Cn2nc(O)c3C(C)CCc23)c1F	MCULE-4422137117,EMOLS-id_331018991	276.306	NMENSDHKRRDQTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040979
COc1cccc(F)c1Cn1nc2CCC(C)c2c1O	MCULE-7564910144,EMOLS-id_331003054	276.306	RMKFTUKBWDYZIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040980
COc1cccc(F)c1Cn1nc(O)c2C(C)CCc12	MCULE-9992243304,EMOLS-id_330960880	276.306	YPNOIQXIKLNZGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040981
COc1ccc(Cn2nc3CCC(C)c3c2O)cc1F	MCULE-3437350110,EMOLS-id_331005356	276.306	SAVXDKZKLXDMRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040982
COc1ccc(Cn2nc3CCC(C)c3c2O)c(F)c1	EMOLS-id_331005612,MCULE-4321944420	276.306	UNUHJIYEHTUCPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040983
COc1ccc(Cn2nc(O)c3C(C)CCc23)cc1F	MCULE-5558486158,EMOLS-id_331020527	276.306	FIJBCAXESDJGPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040984
COc1ccc(Cn2nc(O)c3C(C)CCc23)c(F)c1	MCULE-4492828477,EMOLS-id_331020783	276.306	TTYALQMDILGCEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040985
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1O	EMOLS-id_331002798,MCULE-7550883465	276.306	XTMVJVNKSYLNGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040986
COc1ccc(F)cc1Cn1nc(O)c2C(C)CCc12	MCULE-2952196496,EMOLS-id_330960624	276.306	YULZNQQKECVXQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040987
COc1ccc(F)c(Cn2nc3CCC(C)c3c2O)c1	MCULE-2442378463,EMOLS-id_331003564	276.306	KENBNNWCRYPUGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040988
COc1ccc(F)c(Cn2nc(O)c3C(C)CCc23)c1	MCULE-5089829878,EMOLS-id_331018735	276.306	AXWDYSRGHNMMFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040989
COc1cc(Cn2nc3CCC(C)c3c2O)ccc1F	EMOLS-id_331004076,MCULE-6519425062	276.306	LZAVFSPTNAAEIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040990
COc1cc(Cn2nc(O)c3C(C)CCc23)ccc1F	MCULE-3393688484,EMOLS-id_331019247	276.306	ZKZXYWQRKDSFIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040991
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1O	EMOLS-id_331003310,MCULE-1084153339	276.306	LOURWZCTTFLJBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040992
COc1cc(F)ccc1Cn1nc(O)c2C(C)CCc12	EMOLS-id_330957041,MCULE-2436914838	276.306	QHJGCLGRLALFRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040993
COc1cc(F)cc(Cn2nc3CCC(C)c3c2O)c1	EMOLS-id_331004332,MCULE-4347999666	276.306	FPSYYXAYKVKDRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040994
COc1cc(F)cc(Cn2nc(O)c3C(C)CCc23)c1	MCULE-8979388749,EMOLS-id_331019503	276.306	QINQNHROFPGZRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040995
COc1c(F)cccc1Cn1nc2CCC(C)c2c1O	MCULE-6298366136,EMOLS-id_331003566	276.306	RXQFYYJAQOWFRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040996
COc1c(F)cccc1Cn1nc(O)c2C(C)CCc12	EMOLS-id_330957297,MCULE-3686628528	276.306	YPOOPYRPOUORRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-040997
OC(=O)C1CCc2c1sc(c2C(=O)c1ccco1)C	PC-id_13588820,SCHEMBL10745845	276.308	UJNTVJZNVRSAPK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040998
s1c2CCCc2cc1C(=O)c1oc(cc1)C(=O)OC	PC-id_81615540	276.308	QZSHLNZINPPORC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-040999
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)F)O	PC-id_107685599	276.309	ICRZPBMQBVAZQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041000
CC(c1nnc2n1CCC2)NCc1cccc(c1O)F	PC-id_115951536	276.309	ZWDXDDARMVIOPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041001
CCOc1ccc(c(c1)F)NC1CC(n2c1ncn2)C	EMOLS-id_316584683	276.309	JWFVTJGNDJZKOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041002
Fc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)O	PC-id_104646644	276.309	AUTKSXBFKQDBAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041003
Oc1cc(CNC(c2nnc3n2CCC3)C)cc(c1)F	PC-id_116448610	276.309	GDCKGGQJXLITAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041004
C1(C(=O)Nc2sc3CCCc3c2C#N)(CC1)C(=O)O	MCULE-6808236428,EMOLS-id_327997351	276.311	BWHQHGCNEXLYNE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-041005
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)N	CoCoCo_5794073,EMOLS-id_1853266,ZINC22_146442,MCULE-3013844626,SCHEMBL8290734,ChEMBL-DNDi_CHEMBL5572433,ChEMBL-DNDi_CHEMBL1371081,PC-id_732278,CHEMBL1371081	276.311	DWJNWVICUPNAFY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041006
c1(NC(=O)C2=COCCO2)sc2c(CCC2)c1C#N	ZINC22_4275426,CoCoCo_5031751,PC-id_4581671,MCULE-9955047130,EMOLS-id_5489653,Chemmine_41881	276.311	IGKAAMXDJLNHDD-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-041007
c1(NC(=O)C=C(C)C(=O)O)sc2c(CCC2)c1C#N	MCULE-7614806186,PC-id_3357916	276.311	PEHLDUQERGMADR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041008
C/C(=CC(=O)Nc1sc2c(c1C#N)CCC2)/C(=O)O	EMOLS-id_46441906,TIMTEC375254,ZINC22_5827746,PC-id_5802872	276.311	PEHLDUQERGMADR-FNORWQNLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041009
COc1cc[nH]c1C=C1CNc2c1cc(s2)C(=O)O	PC-id_18626971,SCHEMBL7149592	276.311	SGDRDKRPVFLPJK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-041010
COc1cc[nH]c1/C=C
/CNc2c1cc(s2)C(=O)O	PC-id_70004690,SCHEMBL7149591	276.311	SGDRDKRPVFLPJK-DAXSKMNVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-041011
COc1cc[nH]c1/C=C/1CNc2c1cc(s2)C(=O)O	SCHEMBL7149589	276.311	SGDRDKRPVFLPJK-QPJJXVBHSA-N	00000010110000000000000010000000000000000000000000000000	25-01-041012
N#Cc1c(NC(=O)/C=C(C(=O)O)/C)sc2c1CCC2	CoCoCo_5807449,CoCoCo_5807450	276.311	PEHLDUQERGMADR-ALCCZGGFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041013
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)sc2c1CCC2	PC-id_93320815	276.311	HGUHAUZECYECEM-SFYZADRCSA-N	00100010100000000000000010000000000000000000000000000000	25-01-041014
Oc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)O	PC-id_107722646	276.311	CDEFYVKWOKYKKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041015
Oc1cc(O)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104938809	276.311	QWTAUINYWUGEMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041016
O=C(c1ccc(c(c1)O)O)Nc1sc2c(n1)CCC2	PC-id_103956318	276.311	PPKANYCKECNRBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041017
O=C(c1cccc(c1O)O)Nc1sc2c(n1)CCC2	PC-id_114344118	276.311	IGPODNJTAQRSJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041018
O=C(c1c(O)cccc1O)Nc1sc2c(n1)CCC2	PC-id_103890236	276.311	XCCMIUUWFZAKEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041019
O=S1Cc2c(C1)c(n(n2)C)OC(=O)c1ccccc1	PC-id_142056582	276.311	PUOHLGVKHJHJBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041020
s1c2CCCc2cc1C(=O)NNC(=O)c1ccoc1	PC-id_27020066	276.311	KLLZVATUEMYZBP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041021
s1c2CCCc2cc1C(=O)NNC(=O)c1occc1	PC-id_9366719	276.311	XGEKHRVRMTYTQZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041022
s1c2c(CCC2)c(c1NC(=O)C1C(C1)C(=O)O)C#N	PC-id_54918337	276.311	HGUHAUZECYECEM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-041023
S1Cc2c(noc2NC(=O)c2ccc(OC)cc2)C1	PC-id_49720073	276.311	AQCXCMMVBNKULE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041024
S1Cc2c(noc2NC(=O)c2cc(OC)ccc2)C1	PC-id_49719034	276.311	AYCHKZAAAGUYPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041025
S1Cc2c(noc2NC(=O)c2c(OC)cccc2)C1	PC-id_49720072	276.311	WNJULWXIPGXPMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041026
S1Cc2c(noc2NC(=O)COc2ccccc2)C1	PC-id_49719062	276.311	AMGDVDZUSOZCMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041027
Cc1nc(NC(c2nnc3n2CCC3)C)c(c(n1)C)F	EMOLS-id_318205247,MCULE-8657218150	276.313	RIMDKNJUTAATLF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041028
CCc1ncc(c(n1)Nc1n[nH]c2c1CNC2(C)C)F	PC-id_91504431	276.313	BHXZBJDNWGTHRE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041029
CCc1ncnc(c1F)NC(c1nnc2n1CCC2)C	MCULE-8902116740,EMOLS-id_49341741,PC-id_75517705	276.313	AJTGYJFTQFFMNF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041030
CCc1ncnc(c1F)N[C@H](c1nnc2n1CCC2)C	PC-id_97802942	276.313	AJTGYJFTQFFMNF-QMMMGPOBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041031
CCc1ncnc(c1F)N[C@@H](c1nnc2n1CCC2)C	PC-id_97802943	276.313	AJTGYJFTQFFMNF-MRVPVSSYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041032
CN(C)c1nc(NCc2n[nH]c3c2CCC3)ncc1F	ZINC22_1704308060,PC-id_135099161,MCULE-3409715050,EMOLS-id_317350270	276.313	FMUFMUCRKMRWDR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041033
c1(nnc2SCCn12)NC(=O)c1ccc(cc1)OC	PC-id_22582943,MCULE-6532480069,ZINC22_21110708,ChEMBL-DNDi_CHEMBLF2079-0040,CoCoCo_2590480,EMOLS-id_16349377	276.314	QBFJXTZDKKYGQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041034
c1(nnc2SCCn12)NC(=O)c1cccc(OC)c1	ChEMBL-DNDi_CHEMBLF2079-0039,MCULE-3590440906,CoCoCo_2590479,ZINC22_21110705,EMOLS-id_16349375,PC-id_22582942	276.314	XWVJCRWDXJQUPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041035
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccs1	SCHEMBL2915446,PC-id_11265846	276.314	YSLPXWINPFIBJP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041036
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cscc1	SCHEMBL2919610,PC-id_68441007	276.314	WGUSUDZTVNHYAD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041037
COc1ccccc1C(=O)Nc1nnc2n1CCS2	PC-id_16031346,CoCoCo_2590478,CHEMBL1395996,ChEMBL-DNDi_CHEMBLF2079-0038	276.314	YODLWSKIMTZWJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041038
COC(=O)c1cncnc1Nc1sc2c(n1)CCC2	PC-id_114214226	276.314	KWMAYYHWPHGBJZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041039
COC(=O)c1ncc(nc1)Nc1sc2c(n1)CCC2	PC-id_108255318	276.314	QGTAPMGEGIIBMB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041040
Nc1cnc(c(c1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_108161482	276.314	ZSWPIPQDPVADLP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041041
O=C(N1Cc2c(C1)c(n[nH]2)C(=O)N)Cc1cccs1	PC-id_69187650,SCHEMBL4782288	276.314	ILMGFGJUPOIRTJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041042
O=C(Nc1nnc2n1CCS2)COc1ccccc1	EMOLS-id_16349435,PC-id_16031377,CoCoCo_2590509,MCULE-8133344186	276.314	HNTAGZCKKFBRNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041043
OC(=O)C1CCc2c1nc(s2)NCc1cccnn1	PC-id_106898101	276.314	VZTQLZGONUSNPR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041044
OC(=O)C1CCc2c1nc(s2)NCc1ccncn1	PC-id_105788490	276.314	AFLIGFCSSOFIKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041045
OC(=O)c1ccc(c(n1)Nc1sc2c(n1)CCC2)N	PC-id_113580727	276.314	XUJIGSZMIICMNT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041046
OC(=O)c1cc(ncc1N)Nc1sc2c(n1)CCC2	PC-id_114090218	276.314	YVHUUYQKEJWHNC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041047
[O-][N+](=O)c1ccc(cc1N)Nc1sc2c(n1)CCC2	PC-id_106751599	276.314	IOFLRXFNWIBWOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041048
s1c2CCCc2cc1CNc1ncc([N+](=O)[O-])cn1	PC-id_61209143	276.314	MFPYXWUOGCSIEP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041049
s1c2CCCc2nc1Nc1nccc(c1N)C(=O)O	PC-id_65698590	276.314	LBSVBZGTBDQCMS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041050
s1c2CCCc2nc1Nc1ncc(cc1N)C(=O)O	PC-id_81440237	276.314	JRHXJRDGRZJPSB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041051
s1c2CCCc2nc1Nc1nc(c(cn1)C(=O)O)C	PC-id_83181745	276.314	VVSTVQDGYRQIMX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041052
s1c2CCCc2nc1Nc1nc(cnc1)C(=O)OC	PC-id_66449276	276.314	LJNKQFYIDVPCJN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041053
s1c2CCCc2nc1NC(=O)c1nn(c(=O)cc1)C	PC-id_33040937	276.314	QIHKSGHRTCZPEY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041054
s1c2CN(Cc2nc1N)Cc1ccc([N+](=O)[O-])cc1	PC-id_82194249	276.314	QKKSMSQLDKEUHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041055
s1c([N+](=O)[O-])c2N(CCn2c1=N)Cc1ccccc1	PC-id_76333665	276.314	IAJGMERWIVYMME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041056
NNc1cncc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_108081796	276.318	WEHITZCNTFEGCW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041057
NNc1ncc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_107377924	276.318	BSEAMKJDYRBXMW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041058
s1c2CCCc2nc1NC(=O)c1nnc(NN)cc1	PC-id_62242895	276.318	KENPJAQIAKLYQI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041059
CC(c1ccc(C)c(F)c1F)n1cc2C(C)CCc2n1	EMOLS-id_330998190,MCULE-3583696311	276.324	YEKDJCNVRVATIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041060
COc1cccc(c1F)C(=O)c1sc2c(c1)CCC2	PC-id_115792933	276.326	FDCKOKXRZAJEED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041061
O=C(OCc1ccc(F)cc1)c1cc2c(s1)CCC2	MCULE-1761367617,EMOLS-id_3212708,CoCoCo_2840925,ZINC22_2642739,PC-id_2105532	276.326	MWCJBGCVFVLHQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041062
s1c2CCCc2cc1C(=O)c1cc(F)c(OC)cc1	PC-id_43474007	276.326	RWOCLQYDMNBVLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041063
s1c2CCCc2cc1C(=O)c1c(F)cc(OC)cc1	PC-id_43561057	276.326	SJZCWWMSRGIAQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041064
s1c2CCCc2cc1C(=O)c1c(OC)ccc(F)c1	PC-id_43463294	276.326	WHLFTFCUUGSFAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041065
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)n1	EMOLS-id_181472986,PC-id_3577035,MCULE-7444031935	276.329	QJNBLWMHKXUUAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041066
Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1F	ZINC22_15637048,CoCoCo_4164340,MCULE-3680026303,EMOLS-id_17200834,PC-id_24244163	276.329	SUIVMGICRKLHHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041067
Fc1ccccc1CC(=O)Nc1nc2CCCc2s1	PC-id_26723321,EMOLS-id_33336644,MCULE-4306458844,ZINC22_15636813	276.329	RFCAYJVKZUULMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041068
Fc1ccc(c(c1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_113268575	276.329	YQQGOJJYCXFYRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041069
Fc1cccc(n1)C(=O)NCc1sc2c(c1)CCC2	PC-id_115497593	276.329	SEIJHUNYZCIBKI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041070
Nc1cc(cc(c1)F)NC(=O)c1sc2c(c1)CCC2	PC-id_107334026	276.329	ANQILIATAQRWRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041071
O=C(c1cccnc1F)NCc1sc2c(c1)CCC2	PC-id_114037656	276.329	XLUDCDHQXUSXTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041072
O=C(c1ccncc1F)NCc1sc2c(c1)CCC2	PC-id_115646076	276.329	YSIDTZGONBULQU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041073
O=C(Cc1cccc(F)c1)Nc1nc2c(s1)CCC2	MCULE-5344284868,EMOLS-id_31889156,ZINC22_15636642,CoCoCo_4164171,PC-id_26723196	276.329	HRLWWDIGQJWLLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041074
s1c2CCCc2cc1CNC(=O)c1ccc(F)nc1	PC-id_63979172	276.329	QDKKDXPRSULDMB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041075
s1c2CCCc2cc1CNC(=O)c1cc(F)ncc1	PC-id_61293493	276.329	CVKLAYNUNZHWGX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041076
s1c2CCCc2cc1C(=O)Nc1cc(F)c(N)cc1	PC-id_81762013	276.329	UOVFJRKDBBNFTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041077
s1c2CCCc2cc1C(=O)Nc1cc(N)ccc1F	PC-id_20116616	276.329	NJWONEDBHRTOAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041078
s1c2CCCc2cc1C(=O)Nc1cc(N)c(F)cc1	PC-id_20116275	276.329	FASQJHJITZKIQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041079
s1c2CCCc2cc1C(=O)Nc1c(F)cc(N)cc1	PC-id_61679079	276.329	SKUUBKCAHKFXLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041080
s1c2CCCc2cc1C(=O)Nc1c(N)cccc1F	PC-id_81314416	276.329	IXRDSYRPHQCFNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041081
s1c2CCCc2cc1C(=O)Nc1c(N)ccc(F)c1	PC-id_63257033	276.329	QPVKJGMCCUXIHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041082
s1c2CCCc2cc1C(=O)Nc1c(N)cc(F)cc1	PC-id_20117424	276.329	XUEJZPIGILCIDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041083
s1c2c(CCC2)c(c1N)C(=O)Nc1ccc(F)cc1	PC-id_20109788	276.329	YDDFVRYBTZGQRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041084
s1c2CCCc2nc1NC(=O)c1cc(ccc1F)C	PC-id_62514018	276.329	QRGIZVJUJAIGCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041085
s1c2CCCc2nc1NC(=O)c1c(ccc(F)c1)C	PC-id_52544630	276.329	NQUHLNYYVCAGOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041086
s1c2CCCc2nc1NC(=O)c1cc(c(F)cc1)C	PC-id_55163660	276.329	PFGSPXPJTVRNKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041087
s1c2CCCc2nc1NC(=O)c1c(F)cc(cc1)C	PC-id_79770899	276.329	CRJMTOGPYAXWJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041088
s1c2CCCc2nc1NC(=O)c1c(F)c(ccc1)C	PC-id_80717871	276.329	HHFHACWZNMEKRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041089
CCCN1C(=O)c2c(C1=O)oc(c2)CNC1CCCC1	PC-id_138524961,SCHEMBL20877605	276.331	ZOEDMBTYTJLBNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041090
O1C(CN2C(=O)c3c(c(n(c3C)CCCC)C)C2=O)C1	PC-id_10492717	276.331	OGBJKVPZZYRYGV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-041091
O=C1NCCN(C(C1)(C)C)C(=O)c1occ2c1CCC2	EMOLS-id_316584873	276.331	HAEJOAILVNFTJS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041092
O=C(c1occ2c1CCC2)N1CC(C1)NC1COCC1	EMOLS-id_318894450	276.331	BIZHYFZTVKKSFY-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-041093
CNS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114805411	276.333	CJEZXKLJAOIRFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041094
COC(=O)c1c(sc2c1CCC2)NS(=O)(=O)N	PC-id_112573547,EMOLS-id_50797245	276.333	VZUSINZJMYVDFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041095
OC(=O)CCS(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_38357261,PC-id_61508687	276.333	PPLYASOZGIXKBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041096
OC(=O)C(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_54962945,EMOLS-id_38357281	276.333	UHOPKSDVNIWCOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041097
c1(C(=O)N2CCC(CC2)C(=O)N)c2CCCc2n(C)n1	MCULE-2928205385,EMOLS-id_180404728,PC-id_110678740	276.334	OYTDIWWEIOMOJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041098
c1(C(=O)N2CCN(CC2)C(=O)C)c2CCCc2n(C)n1	PC-id_110388995,EMOLS-id_179745049,MCULE-2334914823	276.334	NDIVGPBUOMYHQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041099
c1(C(=O)NC2CN(C(=O)C2)C(C)C)c2CCCc2[nH]n1	EMOLS-id_323258555,MCULE-6473629329	276.334	MURZEKFTNVYGDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041100
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)C2CC2)n1	MCULE-5682766386	276.334	QDJZPVCGOKWUDB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041101
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)C2CC2)n1	EMOLS-id_316326206,MCULE-7528468664	276.334	QDJZPVCGOKWUDB-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-041102
c1(C(=O)NCCCN2CCCC2=O)c2CCCc2[nH]n1	EMOLS-id_323258300,MCULE-6171145882	276.334	IBVQURHUUOAYEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041103
CC1(C)NC(=O)CC[C@H]1NC(=O)c1cc2n(n1)CCC2	ZINC22_622587721	276.334	LHKAMTLOOPRZCE-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041104
CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cc2n(n1)CCC2	ZINC22_622587722	276.334	LHKAMTLOOPRZCE-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-041105
CC1NC(=O)C(N(C1C)C(=O)c1cnc2n1CCC2)C	EMOLS-id_278944518	276.334	UCXHVXHTEYUICU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041106
CC1NC(=O)C(N(C1C)C(=O)c1cnn2c1CCC2)C	MCULE-3830611045,EMOLS-id_319832524	276.334	IJDDHEWOTXXGPH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041107
CC1NC(=O)C(N(C1C)C(=O)c1n[nH]c2c1CCC2)C	MCULE-5462569147,EMOLS-id_258116301	276.334	IHCVSRLJUMADPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041108
CC(C)c1nc(CN2Cc3cnn(CCO)c3C2)co1	CHEMBL4586088,PC-id_77093320	276.334	XDOHZHPEAKVXDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041109
CC(=CC(=O)N1Cc2c(C1)cn[nH]2)CN1CCOCC1	EMOLS-id_278816325	276.334	FSSFYIZZMXJXHP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041110
CC(=CC(=O)N1CCn2c1ccn2)CN1CCOCC1	MCULE-4334096923,EMOLS-id_258083350	276.334	DHDXSZWUJHRJFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041111
C=CCN1CCC(CC1)NC(=O)c1nn2CCOc2c1	PC-id_91959823	276.334	FJYBNWKVXVMHET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041112
CC(N1CCC(=O)N(C1=O)Cc1cc2n(n1)CCC2)C	EMOLS-id_318795844	276.334	LANNZGWRHWTHID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041113
CC(=O)N1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110538797	276.334	UPSLSSQDTCHHOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041114
CN1CCC(C1=O)(C)C(=O)NC1CC(n2c1ncc2)C	MCULE-7557055793,EMOLS-id_320248977	276.334	YJODXGAEOQKBBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041115
CN1CCC(C1=O)(C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319736820	276.334	PSGCTMDOCPHMNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041116
CN1CCN(C(C1=O)(C)C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_102950469	276.334	OPVQZJSKCXHDEX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041117
CN1CCN(C(C1=O)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102698371	276.334	WBTCCQIJDQTGDF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041118
Cn1nc2c(c1C(=O)N1CC(=O)NCC1(C)C)CCC2	MCULE-6994836084,PC-id_136561137,ZINC22_908021194,EMOLS-id_316994427	276.334	NLWOFVVCBGMKMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041119
CN(CCC(=O)NC1CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_86777546,MCULE-2519679151,EMOLS-id_49908386,ZINC22_97212462	276.334	PWGCYRCZJXCVOL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041120
COC12CC(CN(C(=O)N=c3cc4n([nH]3)CCC4)C1)C2	EMOLS-id_324052057,PC-id_146101969,ZINC22_1875296692	276.334	JKYCGLYDDSGUSN-UHFFFAOYSA-N	00001010100010000001001010000000000000000000000000000000	25-01-041121
COCc1ccc(o1)CNC(c1nnc2n1CCC2)C	EMOLS-id_317968763	276.334	CDPUHGMEZGOTRG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-041122
N#Cc1nc2c(n1C(C)C)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380936,PC-id_118614655	276.334	WCMVLNRUHZHUCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041123
N#Cc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(C)C	PC-id_105520282	276.334	HTTJXRRBKFIACW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041124
N#Cc1n(nc2c1CN(C2)C(=O)OC(C)(C)C)C(C)C	PC-id_105520286	276.334	ICNWNBFJPSWEAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041125
NC(=O)C1CCCCC1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111650937	276.334	RZSYVAZZGOUPRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041126
NC(=O)CC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111379712	276.334	KKBNGCBCRBEFQA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041127
NC(=O)CC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110512986	276.334	HJYIOILSQXCNKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041128
O=C1CCC(C(N1)(C)C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_316104933,MCULE-1836929916	276.334	LHKAMTLOOPRZCE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041129
O=C1CCC(N1)C(C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318920398	276.334	PAVLINQOLPIHLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041130
O=C1NCCC(C1)(C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319271710	276.334	HYXHNNDDLZSKPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041131
O=C1NCCN(C(C1)(C)C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_316587942	276.334	WQWSUMUFUGTMQQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041132
O=C1NCCN(C(C1)(C)C)C(=O)c1n[nH]c2c1CCC2	MCULE-1029314045,EMOLS-id_258145171	276.334	ZLZAFVCZNXTBRT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041133
O=C(C1CCCC(=O)N1C)NCc1cnc2n1CCC2	EMOLS-id_319036560	276.334	MMXNJJYHAKXJDG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041134
O=C(C1CCCC(=O)N1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318911569	276.334	ITOKHTHFHGQBJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041135
O=C(C1CCCN(C1=O)C)NCc1cnc2n1CCC2	EMOLS-id_319430791	276.334	DNDRSENDWOTPEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041136
O=C(C1CCN(C(=O)C1)C)NCc1cnc2n1CCC2	EMOLS-id_320091496,MCULE-4606178650	276.334	BKFLEOSOUXOWQU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041137
O=C(C1CCN(C(=O)C1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319109136	276.334	NWODYAHWHDNBQT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041138
O=C(c1cn2c(n1)CCC2)N1CC(C1)N1CCOCC1	EMOLS-id_278939805	276.334	VPSZYVIEXGCKPQ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-041139
O=C(c1cn2c(n1)CCC2)N1CC(C1)NC1COCC1	EMOLS-id_319542940	276.334	KRTCIENOOKVHIV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041140
O=C(C1CN(C1)C1COCC1)NC1CCn2c1ncc2	MCULE-4184573157,EMOLS-id_319933421	276.334	SGEOMIUDRVUTLT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-041141
O=C(c1cnc2n1CCC2)N1CC(C1)N1CCOCC1	EMOLS-id_316581497	276.334	RPAOBMBZYOULID-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-041142
O=C(c1cnc2n1CCC2)N1CC(C1)NC1COCC1	EMOLS-id_318834681	276.334	IEQAGQSHDXGMEY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041143
O=C(c1cnn2c1CCC2)N1CC(C1)NC1COCC1	EMOLS-id_319229497	276.334	QYKDZFPIRIZORJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041144
O=C(c1n(C)nc2c1CCC2)N1CC(C1)NC1COC1	EMOLS-id_319610135	276.334	GFQWIWFOZURTHG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041145
O=C(c1n[nH]c2c1CCC2)N1CC(C1)N1CCOCC1	MCULE-2831197371,EMOLS-id_320268990	276.334	GEYJIJRGZRWUQX-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-041146
O=C(c1n[nH]c2c1CCC2)N1CC(C1)NC1COCC1	EMOLS-id_319590739	276.334	GKXZTHGOQCQNSA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041147
O=C(CC1CCCC(=O)N1)NCc1n[nH]c2c1CCC2	EMOLS-id_319238902	276.334	VBGOZZNWTKICNI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041148
O=C(CC1CCC(=O)N1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319101153	276.334	VKPQIOGRFWRYKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041149
O=C([C@H]1CCCN1C(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320333357,MCULE-3413589973	276.334	RYCNODGQTZHJOG-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041150
O=C(N1Cc2c(C1)cnn2C)C1CN(C1)C1CCOC1	EMOLS-id_316722786	276.334	HXYXUPZLARZXNP-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-041151
O=C(N1Cc2c(C1)c(n[nH]2)COCC1CC1)NC1CC1	PC-id_97406025	276.334	SUMDOJDBDVBVLI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041152
O=C(N1C(CCC1)C(=O)N(C)C)c1n[nH]c2c1CCC2	PC-id_78880120	276.334	BCFWTLSJIKVENN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041153
O=C(N1CCn2c1ccn2)C1CN(C1)C1CCOCC1	EMOLS-id_319101943	276.334	BLGJWXHGVNRWIF-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-041154
O=C(N1CCn2c1ncc2)C1CN(C1)C1CCOCC1	EMOLS-id_279043775	276.334	VEKWLRODXBEZDA-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-041155
O=C(NCc1cnc2n1CCC2)CCN1CCCC1=O	EMOLS-id_318913034	276.334	JMRXRWUYIZEDEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041156
O=C(NCc1n[nH]c2c1CCC2)CCC1CCC(=O)N1	MCULE-6067067969,EMOLS-id_319926473	276.334	MBSZVRDSPSEZAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041157
OCCn1ncc(CNC(c2n3CCCc3nn2)C)c1	PC-id_64829788	276.337	MBBYCULIVGWARG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041158
Cc1cc(CN(C)C(=O)c2cc3c(s2)CCC3)no1	PC-id_32448281,MCULE-7410348499,EMOLS-id_31913701,CoCoCo_4851508,ZINC22_25137055	276.354	VHDBNSUTDVSKSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041159
CC1Sc2n(C1(C)C(/C=C/c1ccco1)O)ccn2	PC-id_70056734,SCHEMBL7328610	276.354	SZGVBQJBXOKYJP-AATRIKPKSA-N	00000010101000000001000010000000000000000000000000000000	25-01-041160
C/C=CC=C/C(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3440023	276.354	FIMJMMPJASMLKN-BGRWSDHPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041161
C/C=CC=CC(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3440024	276.354	FIMJMMPJASMLKN-SOBRUKQLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041162
C/C=C/C=CC(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3440025	276.354	FIMJMMPJASMLKN-HOJFPOIOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041163
C/C=C/C=C/C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_26872786,CoCoCo_3440022	276.354	FIMJMMPJASMLKN-CRBCFSCISA-N	00000010100000000000000010000000000000000000000000000000	25-01-041164
CC=CC=CC(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_72085231,EMOLS-id_26088508	276.354	FIMJMMPJASMLKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041165
C=CC(=O)Nc1c(c2c(s1)CCC2)C(=O)NC1CC1	SCHEMBL19888999,PC-id_134274788	276.354	RKFRWOJWJGBRSH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-041166
COc1ccc(cc1)CSC1Cn2c(C1)c(nc2)O	SCHEMBL9197228,PC-id_19978609	276.354	BAIYZOCYBUPCGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041167
COc1cc(C)ccc1OCc1nc2c(s1)CCN2	PC-id_93746074	276.354	JGJDNTCFQZMLCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041168
COc1cnn(c1C(=O)c1sc2c(c1)CCC2)CC	PC-id_113662719	276.354	JMZFDDWOZNEQQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041169
COc1ncnc(c1)CC(c1sc2c(c1)CCC2)O	PC-id_104304067	276.354	WEMROUOLLQCRQA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041170
O=C(c1sc2c(c1)N(CC2)C(=O)C1CC1)NC1CC1	PC-id_97410579	276.354	LAFFMJWOICAFBS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-041171
s1c2CCCc2cc1CNC(=O)c1oc(cc1)CN	PC-id_80009151	276.354	AVWBCBZEDXHIEK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041172
s1c2CCCc2c(c1N/C(=C/C(=O)OCC)/C)C#N	PC-id_12497260	276.354	QEFPPYCMLIPCFR-VQHVLOKHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041173
s1c2c(CCC2)c(c1N(CCC(=O)O)CC=C)C#N	PC-id_82309796	276.354	DYEMRGRDQICRLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041174
CC(N1CCn2c1cc(n2)I)C	SCHEMBL19454158	277.105	UFRXYKDDXDAKHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041688
s1c2CCCc2c(c1NC(=CC(=O)OCC)C)C#N	PC-id_85440344	276.354	QEFPPYCMLIPCFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041175
s1c2CCCc2nc1[C@@H](N)Cc1cc(O)c(O)cc1	PC-id_83346480	276.354	CPLRAMWUHWWHEB-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-041176
s1c2CCCc2nc1C(N)c1cc(OC)c(O)cc1	PC-id_83346493	276.354	GZIKRGZYKUPGEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041177
s1c2CCCc2nc1C(N)c1cc(O)c(OC)cc1	PC-id_83346495	276.354	DYGPEHZFHTVBLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041178
s1c2CCCc2nc1C(N)c1c(OC)cc(O)cc1	PC-id_83346509	276.354	ZLXAIUKKDIPESB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041179
s1c2CCCc2nc1C(N)c1c(O)ccc(OC)c1	PC-id_83346515	276.354	MIDMMNITCOFTHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041180
s1c2CCCc2nc1C(N)c1c(O)cc(OC)cc1	PC-id_83346496	276.354	OHACKDGXLYJIPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041181
s1c2CCCc2nc1C(N)c1c(O)c(OC)ccc1	PC-id_83346486	276.354	SPCDEHHSSLLMCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041182
s1c2CCCc2nc1Nc1c(OC)ccc(OC)c1	PC-id_20102806	276.354	SMRRGSNSHQUPRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041183
s1c2CN(Cc3ccc(OC)cc3OC)Cc2nc1	PC-id_122362433,MCULE-7893849095,EMOLS-id_46017097	276.354	BQAUHNLFJGGNSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041184
S1Cc2c([nH]n(CCCOc3ccccc3)c2=O)C1	PC-id_83195421	276.354	VWGHCORJYGVWCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041185
S1C(C(n2c1ncc2)(C(O)C=Cc1occc1)C)C	PC-id_77767423	276.354	SZGVBQJBXOKYJP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-041186
S1C(n2c(C1)c(O)n(c2=O)Cc1ccc(cc1)C)C	PC-id_54217581	276.354	QAHKWMRVXKIGFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041187
c1(ccnn1C)C(=O)NCCc1sc2c(CCC2)n1	EMOLS-id_181160428,PC-id_110467175,MCULE-4556777602	276.357	QCQITVKOTGLMBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041188
c1(cnn(C)c1)C(=O)NCCc1sc2c(CCC2)n1	MCULE-4799847717,EMOLS-id_181142420,PC-id_110461820	276.357	XVZZTAHDKCRISM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041189
c1(C(=O)Nc2sc(c(CC)n2)C)c2CCCc2[nH]n1	MCULE-4575971996,EMOLS-id_323256755	276.357	KOBMPMYOUWVVSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041190
c1(C(=O)Nc2sc(c(C)n2)C)c2CCCc2n(C)n1	EMOLS-id_180404773,PC-id_110678755,MCULE-3633249538	276.357	MVBFTYBULZYUAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041191
c1(C(=O)NCCc2sc3c(CCC3)n2)c[nH]c(C)n1	EMOLS-id_181161758,PC-id_110467638,MCULE-3909405197	276.357	RZIWOXXGSVKHAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041192
c1(C(=O)NCCc2scc(C)n2)c2CCCc2[nH]n1	MCULE-4671894550,EMOLS-id_323256496	276.357	ZZRSCSUVCFLEQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041193
c1(NC(=O)CCCn2cccn2)sc2c(CCC2)n1	MCULE-8260344626,EMOLS-id_323399806	276.357	FWNAEXIXQGROFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041194
c1(NC(=O)CCn2cccc2)n(C)nc2CSCc12	PC-id_121240199,EMOLS-id_93424021,MCULE-6522368694,STOCK7S-62916,ZINC22_409414745	276.357	WDOFLZZJSGZBOD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-041195
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(C(C)C)c1	MCULE-1459752093,EMOLS-id_323243745	276.357	AIIJOWRTSQAIJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041196
CC1CC(c2n1ccn2)NC(=O)c1c(C)nsc1C	EMOLS-id_101551349	276.357	TXGVJKNWOKMSAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041197
Cc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)s1	EMOLS-id_31936694,PC-id_45819257,ZINC22_44934882,MCULE-5010728019	276.357	PJWQORQIMYZUNG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041198
Cc1ccc(C(=O)NCCc2nnc3n2CCC3)s1	ZINC22_42502728,EMOLS-id_35706156,MCULE-5460703448,PC-id_53504618	276.357	QPCWISPMLGTDHS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041199
Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)s1	PC-id_95295551,ZINC22_69528239	276.357	ZRCKJFZIROINIT-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-041200
Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)s1	PC-id_95295552,ZINC22_69528241	276.357	ZRCKJFZIROINIT-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041201
Cc1cc(C(=O)NCc2nnc3n2CCC3)c(C)s1	ZINC22_40486244,PC-id_45803640,EMOLS-id_31870887,CoCoCo_4560507,MCULE-4111519708	276.357	RFFKZCLHKKLNJI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041202
Cc1ccc(s1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_53528065,EMOLS-id_36268860,MCULE-7246824428	276.357	ZRCKJFZIROINIT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041203
Cc1ccsc1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_47031265,EMOLS-id_31936696,ZINC22_58161550,MCULE-9929679924	276.357	QJTNTNRBXDIOTM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041204
Cc1ccsc1C(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC22_95949252	276.357	KFOYPQOQLSPKOL-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-041205
Cc1ccsc1C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_95949253	276.357	KFOYPQOQLSPKOL-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041206
Cc1cnc([C@@H](C)NC(=O)c2cc3n(n2)CCC3)s1	ZINC22_295153478	276.357	PWIYLJPJPKUTBN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041207
Cc1cnc([C@H](C)NC(=O)c2cc3n(n2)CCC3)s1	ZINC22_295153480,PC-id_164637842	276.357	PWIYLJPJPKUTBN-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-041208
Cc1cnc(s1)C(NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_316929626,MCULE-3618861004	276.357	PWIYLJPJPKUTBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041209
Cc1cscc1NC(=O)N[C@@H]1C[C@@H](C)n2ccnc12	ZINC22_333576752	276.357	ZCOHQPZJBOQVLO-NXEZZACHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041210
Cc1cscc1NC(=O)N[C@H]1C[C@H](C)n2ccnc12	ZINC22_333576763	276.357	ZCOHQPZJBOQVLO-UWVGGRQHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041211
Cc1cscc1NC(=O)N[C@@H]1C[C@H](C)n2ccnc12	ZINC22_333576766	276.357	ZCOHQPZJBOQVLO-VHSXEESVSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041212
Cc1cscc1NC(=O)N[C@H]1C[C@@H](C)n2ccnc12	ZINC22_333576768	276.357	ZCOHQPZJBOQVLO-ZJUUUORDSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041213
Cc1nc(c(s1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319512984	276.357	WLOZLCZPWFDOGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041214
Cc1nc(c(s1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318829114	276.357	HZNDIIOMFCJIDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041215
Cc1sc(c(n1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319826555,MCULE-1863844735	276.357	JEQVFDLDHBLEGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041216
CCc1ccc(s1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319018708	276.357	SAJBTNGZXFGSTL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041217
CCc1cnc([nH]1)CC(=O)Nc1sc2c(n1)CCC2	MCULE-8417505657,EMOLS-id_319913959	276.357	AXKHWXHQWHELPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041218
CCc1nccn1CC(=O)Nc1nc2c(s1)CCC2	ZINC22_158472228	276.357	DHLKDOKJGILONH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041219
CCc1ncc(s1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319312344	276.357	JMBUROIAVIOJRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041220
CC(c1nnc2n1CCC2)NC(=O)c1sccc1C	MCULE-5177732970,EMOLS-id_48744431	276.357	KFOYPQOQLSPKOL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041221
CCc1scc(n1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-8925263383,EMOLS-id_320077566	276.357	QKCXTXOYRFGXSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041222
CC(Cc1cccs1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319041630	276.357	JLLUKRRIPZSYEH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041223
CCC(C(=O)Nc1sc2c(n1)CCC2)n1cccn1	EMOLS-id_319144965	276.357	UCPTVRGZDDMLGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041224
C[C@H](NC(=O)Cc1cccs1)c1nnc2n1CCC2	PC-id_94024447,ZINC22_44934601	276.357	PNUAIFRDRRMHSJ-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-041225
C[C@@H](NC(=O)Cc1cccs1)c1nnc2n1CCC2	ZINC22_44934604,PC-id_94024448	276.357	PNUAIFRDRRMHSJ-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041226
CCn1cnnc1CNC(=O)c1cc2c(s1)CCC2	MCULE-1867802940,EMOLS-id_31960709,ZINC22_44942287,PC-id_45824161	276.357	SZESSIGAJRXKLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041227
CCOc1ccccc1NC1Nc2cc(C)nn2S1	MCULE-4248552034,EMOLS-id_232961929,PC-id_135922356	276.357	LIGMAKVEHFBMAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041228
CCOc1ccccc1N[C@@H]1Nc2cc(C)nn2S1	CoCoCo_6392989,ZINC22_6242841	276.357	LIGMAKVEHFBMAB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041229
CCOc1ccccc1N[C@H]1Nc2cc(C)nn2S1	ZINC22_6242845,CoCoCo_6392988	276.357	LIGMAKVEHFBMAB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041230
Cn1ccnc1C(=O)NCCc1nc2CCCc2s1	EMOLS-id_181161066,PC-id_110467381,MCULE-5164385316	276.357	HBVHSZYIISSRGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041231
Cn1nc2c(c1NC(=O)CCc1cscn1)CCC2	ZINC22_299585077,MCULE-2923974770,EMOLS-id_316826682	276.357	CLSVNADXMADUNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041232
CN(Cc1nnc2n1CCC2)C(=O)Cc1cccs1	PC-id_51079876,EMOLS-id_33306119,MCULE-5450767712,ZINC22_58413881	276.357	WGNRZPFEWZNWFM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041233
CN(CCc1nccs1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_320275687,MCULE-7098459432,ZINC22_156190357,PC-id_145885321	276.357	SWPIKNOUMAELJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041234
CN(C(=O)c1n[nH]c2c1CN(C2)Cc1cscc1)C	PC-id_97461962	276.357	LQHWQEBSZMZKHJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041235
COc1ccc(cc1)CSC1Cn2c(C1)nnc2N	SCHEMBL9202186,PC-id_15077387	276.357	CCEWXZGRNKYKSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041236
COc1cc(NCc2sc3c(c2)CCC3)nc(n1)N	PC-id_108203858	276.357	REXLEYBICREHCD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041237
COc1cc(NCCc2nc3CCCc3s2)ncn1	PC-id_50974600,ZINC22_65460266,EMOLS-id_32418186,MCULE-1129186282	276.357	ZDLOUDGYODNGMB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041238
COc1nccnc1C(c1sc2c(c1)CCC2)NN	PC-id_105332618	276.357	AGZUINKZDLWPCX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041239
O=C(c1c(C)nsc1C)NCc1cnc2n1CCC2	EMOLS-id_318854262	276.357	QUJVJXNWINRJDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041240
O=C(c1c(C)nsc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319832894	276.357	ITICFQGOGKEFJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041241
O=C(c1cncn1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181845	276.357	AXXBRMXCBDNNMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041242
O=C(C1NCc2c1c[nH]n2)N(CCc1cccs1)C	EMOLS-id_319136182	276.357	UXHOVRQPJIANHO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041243
O=C(c1sc2c(c1)CCC2)NC(c1nn[nH]c1)(C)C	EMOLS-id_278376892	276.357	YQKWKJXPPCSPOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041244
O=C(c1sc(c(n1)C)C)NCc1cnc2n1CCC2	MCULE-9589721171,EMOLS-id_320242588	276.357	SLMSBWFCHJACKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041245
O=C(Cc1cn[nH]c1)NCCc1sc2c(n1)CCC2	EMOLS-id_319362229	276.357	RCOJIFIAOZNKNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041246
O=C(Cc1csc(n1)C)NCc1cnc2n1CCC2	EMOLS-id_320217191,MCULE-7114590327	276.357	LYWCAMFZHRZJNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041247
O=C(Cc1ncc(s1)C)NCc1cnc2n1CCC2	EMOLS-id_319925915,MCULE-5830238989	276.357	ONYZQARMYRTMGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041248
O=C(Cc1ncc(s1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318811383	276.357	BFCOJLIDJXNEPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041249
O=C(CCc1cncs1)NCc1cnc2n1CCC2	EMOLS-id_319880451	276.357	RTQDFQQSKHCRRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041250
O=C(CCc1cncs1)NCc1n[nH]c2c1CCC2	MCULE-3417280921,EMOLS-id_320039887	276.357	JIZWJMQJFZMADO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041251
O=C(CCc1cscn1)NCc1cnc2n1CCC2	EMOLS-id_319510236	276.357	HFFOJRXVKIRGTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041252
O=C(CCc1cscn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319423106	276.357	WMSIAOPLPLBFDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041253
O=C(CCc1nccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_319092371	276.357	UKXMQWQMWTVAEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041254
O=C(Nc1cscc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101482826,MCULE-4142466496	276.357	ZCOHQPZJBOQVLO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041255
O=C(Nc1sc2c(n1)CCC2)CCc1nccn1C	EMOLS-id_319383561	276.357	UZSIQRLNZAKFCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041256
O=C(NC(c1nnc2n1CCC2)C)Cc1cccs1	EMOLS-id_31936188,MCULE-9540117214,PC-id_45819133	276.357	PNUAIFRDRRMHSJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041257
O=C(NCCCn1cncn1)c1cc2c(s1)CCC2	EMOLS-id_35704510,PC-id_53501069,ZINC22_41862306,MCULE-2188511839	276.357	AUMCZLOVTGOSBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041258
s1c2CCCc2cc1CNC(=O)c1nc([nH]n1)CC	PC-id_80381518	276.357	ZFEKTMMAPPQGKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041259
s1c2CCCc2cc1CNC(=O)c1nn(cc1N)C	PC-id_65354519	276.357	SFWCEXVWVUKRGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041260
s1c2CCCc2cc1CNC(=O)c1n(ncc1N)C	PC-id_65359307	276.357	BFYBNLYIWZRYBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041261
s1c2CCCc2cc1CNC(=O)c1n[nH]c(c1N)C	PC-id_62081432	276.357	GYUNVINAFCCERC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041262
s1c2CCCc2cc1CNC(=O)Cn1ncc(N)c1	PC-id_61208735	276.357	NQISOQZAPCABDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041263
s1c2CCCc2cc1CNC(=O)Cn1nc(N)cc1	PC-id_62112076	276.357	RMLXUHJLYWSTKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041264
s1c2CCCc2cc1C(=O)Nc1n(nc(c1N)C)C	PC-id_80359624	276.357	RSFJENOUWBHARJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041265
s1c2CCCc2cc1C(=O)NCc1c(n(nc1)C)N	PC-id_79524121	276.357	NLYODIHQRJBULS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041266
s1c2CCCc2cc1C(=O)N(Cc1nc([nH]n1)C)C	PC-id_64512394	276.357	ZBRSMLYNZYWVJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041267
s1c2CCCc2cc1C(=O)NCCCc1[nH]ncn1	PC-id_64547324	276.357	XHKDOMKLPXKCHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041268
s1c2CCCc2nc1NC(=O)c1n(CC)cc(N)c1	PC-id_61507651	276.357	RKUWGXMHAOXRLV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-041269
s1c2CCCc2nc1NC(=O)c1n(ncc1)C(C)C	PC-id_45530277	276.357	CSKMMDNYXCHFKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041270
s1c2CCCc2nc1NC(=O)c1n(nc(c1)C)CC	PC-id_49695839	276.357	RHHAYTDNPXJLPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041271
s1c2CCCc2nc1NC(=O)c1nn(c(c1)C)CC	PC-id_49697418	276.357	UXMKGLPJJXYJKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041272
s1c2CCCc2nc1NC(=O)c1nn(C(C)C)cc1	PC-id_45532570	276.357	WJIYGVCTUHLCGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041273
CC(c1nnc2n1CCC2)Nc1nnc(s1)C1CC1	MCULE-8811525073,EMOLS-id_318102809	276.361	SVSUKOGPROSOIZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-041274
CC(c1nnc2n1CCC2)Nc1snc(n1)C1CC1	MCULE-1076254500,EMOLS-id_318247647	276.361	DQBFUKAUYSNMLD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-041275
CCNc1ccnc(NCc2cn3c(n2)SCC3)n1	MCULE-6624398859,EMOLS-id_32389952,ZINC22_65395589,PC-id_50959609	276.361	BLVJHFIUFKNZFJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041276
Cc1cc(C)c(c(c1)F)C(c1sc2c(c1)CCC2)O	PC-id_106884155	276.369	XRQGRXVIMQGHOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041277
Fc1ccc(c(c1)CC(c1sc2c(c1)CCC2)O)C	PC-id_105377629	276.369	REZOCDPOZGLJKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041278
Fc1ccc(c(c1)C)CC(c1sc2c(c1)CCC2)O	PC-id_115838240	276.369	GBPMDEZDIXUTQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041279
Fc1cc(C)c(c(c1)C)C(c1sc2c(c1)CCC2)O	PC-id_106879552	276.369	ZTVVSFCEMSJNNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041280
s1c2c(CCC2)cc1C(O)c1cc(c(F)c(c1)C)C	PC-id_65296985	276.369	DPGRAQKKLVIEPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041281
CCNC(c1ccncc1F)c1sc2c(c1)CCC2	PC-id_105038419	276.372	QBRMKRAILLDULU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041282
CCNC(c1sc2c(c1)CCC2)c1cncc(c1)F	PC-id_115805400	276.372	LMEZRFOPKITZQK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041283
CNC(c1cc(C)ccc1F)c1sc2c(n1)CCC2	PC-id_108218963	276.372	VXPMVNFYNBBCFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041284
CNC(c1cc(F)ccc1C)c1sc2c(n1)CCC2	PC-id_108386571	276.372	VRNUCWMOOYBNJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041285
COCCOCCc1cc2c(s1)S(=O)(=O)CC2	PC-id_139605928	276.372	VVFHLBYRIYDHOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041286
Fc1cccc(c1)CC(c1sc2c(n1)CCC2)(N)C	PC-id_114832538	276.372	OCFAYXZEKRNNGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041287
Fc1ccccc1CC(c1sc2c(n1)CCC2)(N)C	PC-id_114832539	276.372	SVNSVRQPTBNYGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041288
Fc1ccc(cc1)CC(c1sc2c(n1)CCC2)(N)C	PC-id_114832540	276.372	HLQNHZDYNCDUFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041289
Fc1cncc(c1)C(NCc1sc2c(c1)CCC2)C	PC-id_103781474	276.372	ATKNQSJKYNPTEP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041290
NNC(c1ccc(cc1C)F)c1sc2c(c1)CCC2	PC-id_105302439	276.372	XHNSCBNUDPWKHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041291
NNC(c1ccc(c(c1)C)F)c1sc2c(c1)CCC2	PC-id_105302593	276.372	FMNONCTUFRFCDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041292
NNC(c1ccc(c(c1)F)C)c1sc2c(c1)CCC2	PC-id_113921067	276.372	QGFZZRULOKSCDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041293
NNC(c1cc(C)ccc1F)c1sc2c(c1)CCC2	PC-id_113701342	276.372	RRASHIKEUPRLKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041294
NNC(c1cc(F)ccc1C)c1sc2c(c1)CCC2	PC-id_105302164	276.372	REGYLQBEESONNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041295
NNC(c1sc2c(c1)CCC2)c1cc(C)cc(c1)F	PC-id_105325293	276.372	FPNFSJQVKPVUDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041296
NNC(c1sc2c(c1)CCC2)Cc1ccccc1F	PC-id_105284700	276.372	LZIHVBGCMLKECZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041297
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1)F	PC-id_105286377	276.372	CQBOIEWLFMSFKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041298
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)F	PC-id_113699208	276.372	KDXUTZNDNDIZEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041299
s1c2c(CCC2)cc1CNC(c1ncc(F)cc1)C	PC-id_83117609	276.372	WTGMYAVBRBEXOT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-041300
s1c2CCCc2nc1C(NC)c1cc(c(F)cc1)C	PC-id_62122090	276.372	HEUGGWCOBYKNJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041301
s1c2CCCc2nc1C(NC)c1c(cc(F)cc1)C	PC-id_62135839	276.372	DSQWQSXRGGBUEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041302
s1c2CCCc2nc1C(NC)c1cc(F)c(cc1)C	PC-id_55244805	276.372	QCJNZXAFDFBXAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041303
s1c2CCCc2nc1C(NCC)c1ccc(F)cc1	PC-id_61332027	276.372	UDLKQGCNYRQROK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041304
s1c2CCCc2nc1C(NCC)c1cc(F)ccc1	PC-id_61331838	276.372	MQGDMWKBZNPZQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041305
s1c2CCCc2nc1C(NCC)c1c(F)cccc1	PC-id_61332393	276.372	SQWBSVIHFWMUFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041306
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1CCCCC1	MCULE-3317137293,EMOLS-id_330970035	276.374	HYLHEYYIHWRZDF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041307
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1CCCC1	EMOLS-id_330973625,MCULE-9947294293	276.374	MFDWVUYRCSRYSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041308
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1(C)CC1	EMOLS-id_330981053,MCULE-1686600267	276.374	CFSZIWAOZHVRSY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041309
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1CCC1	MCULE-6482835361,EMOLS-id_330977471	276.374	SNDZFQLBACJBIF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041310
CCCCCc1c2c(c([nH]1)O)C(=NC2=O)CCCCC	PC-id_136400563	276.374	FCZWZYXGYIPRBO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-041311
CCCCCc1[nH]c(c2c1C(=O)NC2=O)CCCCC	PC-id_68061681,SCHEMBL10197626	276.374	VDBVWCXZBLNUGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041312
CCN1CC(C(C1)(C)C)NC(=O)c1occ2c1CCC2	MCULE-8784491297,EMOLS-id_320255250	276.374	RVAWQINYPATPRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041313
CN(CCC1CCCN1C(=O)c1occ2c1CCC2)C	EMOLS-id_318929488	276.374	WTPYHQLYHMROKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041314
O1CCC(CC1)N1CC[C@H](C1)OC1CCc2c1[nH]cc2	SCHEMBL14528974,PC-id_71192952	276.374	OLUDGSSAIOZTQU-GICMACPYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-041315
o1c(C(C)(C)C)c(c2c1CCC2)C(=O)N1CCNCC1	PC-id_83610507	276.374	PDZSBJARGZJSAI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041316
O=C1c2[nH]c(c(CCCCC)c2NC1=O)CCCCC	PC-id_77759733	276.374	DVRDNNSQBJKQJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041317
O(C1CN(C2CCOCC2)CC1)C1CCc2c1[nH]cc2	PC-id_78025852	276.374	OLUDGSSAIOZTQU-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-041318
OC(=O)C1c2nc(n(c2CC1)C)CCC1CCCCC1	PC-id_84011013	276.374	SAHLZQINBVWJJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041319
s1c2CCC(=O)c2cc1CCC(=O)c1sccc1	PC-id_11076700	276.374	MVDOFYJFDQHCRX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-041320
OCCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978037	276.376	VFXFVVSCYGWALY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041321
c1(c2CCCc2[nH]n1)C(=O)N(CC)C1CCN(CC1)C	PC-id_51599953,SYN-26084137,EMOLS-id_30458769,ZINC22_19657168,MCULE-7961324336	276.377	IYCPUTQPLLRACT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041322
C1CC(C1)C(C1CCOC1)NCc1nnc2n1CCC2	MCULE-8081023049,EMOLS-id_320079081	276.377	GGYCNKXOXDVHLA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041323
c1(CN(C)C(C)C(=O)N2CCCC2)c2CCCc2[nH]n1	MCULE-7785745073,PC-id_91828381,EMOLS-id_55601798	276.377	SKCIUUVOTXDQFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041324
c1(C(=O)NCC2CCCCN2CC)c2CCCc2[nH]n1	LEG-20298289,MCULE-9286197554,PC-id_75681684,EMOLS-id_380924	276.377	INMVWTHYUPKDFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041325
c1(C(=O)N(C)C2CCN(CC2)C)c2CCCc2n(C)n1	PC-id_84465780,MCULE-2302090466,EMOLS-id_320480781	276.377	AZQVGRJKOAMAMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041326
c1(C(=O)N(C)C)c2CNCc2nn1CC1CCCCC1	EMOLS-id_324353128,MCULE-5079061837	276.377	YEAYHIWGKYSLIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041327
c1(C(=O)NCCCCN2CCCC2)c2CCCc2[nH]n1	EMOLS-id_335014820,MCULE-4150584138	276.377	HMLHWWJJAQYVKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041328
CC1CCCC(C1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101401324	276.377	ORFPDOSBNGJDMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041329
CC1CCCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101576910	276.377	AQEYXGHXDGSKLA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041330
CC1CC(C)CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581155	276.377	BSVHABOBWTZOJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041331
CC1CCC(N1C(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_316559077	276.377	PTWXBBSXGWWAOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041332
CC1CCCN(C1)CCNC(=O)c1cnn2c1CCC2	EMOLS-id_101192119	276.377	GJDMQYKBPJGDGP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041333
CC1CCCN(C1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417034	276.377	NCXUGTVGHPCKRM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041334
CC1(C)C(NCc2nnc3n2CCC3)C2C1OCCC2	EMOLS-id_98837919	276.377	ZGNDLWAGZKVTAI-UHFFFAOYSA-N	00001010100010000001001010000000000000000000000000000000	25-01-041335
CC1CN(C(C1)(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579118	276.377	FEAACQNIWWWKNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041336
CC1CN(CCC1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418828	276.377	RARYVOQHIGEMDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041337
CCC1(CCC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101373226	276.377	ZGKREFGFXLMXAW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041338
CCC1(CCCC1)CNC(=O)NC1CCn2c1ncc2	EMOLS-id_316924011,MCULE-4285442872	276.377	KGEWYVMFIPNTES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041339
CCC1CCCC1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101385199	276.377	WWPBZEZAOZGQOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041340
CCC1(CCCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572869	276.377	NUWLICUZBNLSKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041341
CCC1CCC(CC1)CNC(=O)C1c2c(CN1)[nH]nc2	EMOLS-id_317053959,MCULE-2925446079,PC-id_136572217	276.377	JBUCCDUVAJDMBO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041342
CCC1C(C)CCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420427	276.377	DVLCTRPIDAZTLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041343
CCC1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581164	276.377	ZUQSHHKLTFEZHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041344
CCC1(CC)CCN(C1)C(=O)NC1CCn2c1ncc2	EMOLS-id_316929642,MCULE-2422700938	276.377	RICODQMRKIJEMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041345
CCC1CCC(CNC(=O)[C@H]2NCc3n[nH]cc23)CC1	ZINC22_1775985287	276.377	JBUCCDUVAJDMBO-MGULZYLOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041346
CCC1CCC(CNC(=O)[C@@H]2NCc3n[nH]cc23)CC1	ZINC22_1775985288	276.377	JBUCCDUVAJDMBO-QIMFLAQGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041347
CCC1(CC)CCN(C(=O)N[C@H]2CCn3ccnc23)C1	PC-id_164630658,ZINC22_1365392419	276.377	RICODQMRKIJEMU-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041348
CCC1(CC)CCN(C(=O)N[C@@H]2CCn3ccnc23)C1	ZINC22_1365392418	276.377	RICODQMRKIJEMU-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041349
CC(C1CCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101436735	276.377	FJDJWRVXICPKOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041350
CCC1CCC(N1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101577018	276.377	MDHAJVPZALJLGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041351
CCC1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436666	276.377	WLFCSEUQZANGLA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041352
CCC1(CC)CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572911	276.377	PZYLWYLCNOHMKU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041353
CCC1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436705	276.377	MRFMATGXWJVOJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041354
CCC1(CNC(=O)N[C@@H]2CCn3ccnc23)CCCC1	ZINC22_1414577387	276.377	KGEWYVMFIPNTES-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041355
CCC1(CNC(=O)N[C@H]2CCn3ccnc23)CCCC1	ZINC22_1414577402	276.377	KGEWYVMFIPNTES-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041356
CC(C)CC1(C(=O)NCc2nnc3n2CCC3)CCC1	EMOLS-id_49105590,PC-id_71971689,MCULE-1645814983,ZINC22_96461940	276.377	WRAWRQWBBSAJFX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041357
CC(C)CCN1Cc2[nH]nc(C(=O)N3CCCC3)c2C1	PC-id_97461979,ZINC22_96187521,EMOLS-id_44325317	276.377	KXYQMNVIBRQXRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041358
CC(C[C@@H]1C[C@H]1NC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101572761	276.377	QNIWVYWLMQRUES-QZQSVVMZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041359
CCC(C)N1Cc2c(nn(C)c2C1)C(=O)N1CCCC1	EMOLS-id_44325393,PC-id_118742610	276.377	RWVAZOSXNYJODK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041360
CC[C@H]1N(C)CC[C@@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319199785	276.377	AINUSRJQQPXOJW-QWHCGFSZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041361
CC[C@H](C)N1Cc2c(C(=O)N3CCCC3)nn(C)c2C1	PC-id_97462005,ZINC22_96187547	276.377	RWVAZOSXNYJODK-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-041362
CC[C@@H](C)N1Cc2c(C(=O)N3CCCC3)nn(C)c2C1	ZINC22_96187546,PC-id_97462004	276.377	RWVAZOSXNYJODK-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041363
CC(CN1CCCC1C(=O)NC1CCn2c1ncc2)C	EMOLS-id_320278914,MCULE-2903382063	276.377	RVCXOUMPBAWSFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041364
CCCN(C(=O)c1cnn2c1CCC2)C1CCNCC1	EMOLS-id_318354382	276.377	POSXDWUJZWDWBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041365
CCCN(C(=O)c1n[nH]c2c1CCC2)C1CCNCC1	EMOLS-id_301909492,PC-id_119823197,MCULE-9604763896	276.377	OMFRBWMZQCTMIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041366
CC(CN(C(=O)NC1CC(n2c1ncc2)C)C1CC1)C	EMOLS-id_101581035	276.377	IVBOZAUTLZMTFW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041367
C[C@@H]1CC[C@H](CC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418645	276.377	BEIZMUFTNBULTI-RUXNMCCTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041368
C[C@H]1C[C@@H](C)[C@H](CN)CN1C(=O)c1cnn2c1CCC2	ZINC22_333802345	276.377	HZRIOSMHLSHOPI-GRYCIOLGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041369
C[C@H]1C[C@@H](C)[C@@H](CN)CN1C(=O)c1cnn2c1CCC2	ZINC22_333802353	276.377	HZRIOSMHLSHOPI-WOPDTQHZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041370
C[C@@H]1C[C@@H](C)N(C(=O)c2cnn3c2CCC3)C[C@H]1CN	ZINC22_333802348	276.377	HZRIOSMHLSHOPI-IJLUTSLNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041371
C[C@@H]1C[C@@H](C)N(C(=O)c2cnn3c2CCC3)C[C@@H]1CN	ZINC22_333802350	276.377	HZRIOSMHLSHOPI-UTUOFQBUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041372
C[C@@H]1CCN([C@@H](C1)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_102198772	276.377	QJKHIHWTGOJBSF-OKZRHMCRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041373
C[C@H](C(=O)N1CCCC1)N(C)Cc1n[nH]c2c1CCC2	ZINC22_244811729	276.377	SKCIUUVOTXDQFY-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041374
C[C@@H](C(=O)N1CCCC1)N(C)Cc1n[nH]c2c1CCC2	ZINC22_244811730	276.377	SKCIUUVOTXDQFY-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-041375
CCN1CC(C(C1)(C)C)NC(=O)c1cn2c(n1)CCC2	MCULE-4941089602,EMOLS-id_320201021	276.377	PXXJMEDVINKCMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041376
CCN1CC(C(C1)(C)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_320006597,MCULE-3996089681	276.377	LAVOCECATAAAQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041377
CC(N1CCC(C1=O)NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_101840863	276.377	LGFDYUKNZCGGDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041378
CC(N1CC(CC1=O)NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_101841856	276.377	SCFFJBNIUNNQSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041379
CCN1CCCCC1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101559131	276.377	CVWWNDNLTONETM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041380
CCN1CCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2	PC-id_51595422,ZINC22_19527286	276.377	INMVWTHYUPKDFG-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041381
CCN1CCCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2	ZINC22_19527287,PC-id_51595424	276.377	INMVWTHYUPKDFG-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-041382
CCNCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	MCULE-2538603026,PC-id_119644379,EMOLS-id_301846529	276.377	DEVHIYUQBKQCLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041383
CCN(C(=O)NC1CC(n2c1ncc2)C)C1CCCC1	EMOLS-id_101574807	276.377	DTGPIMIDVOAJKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041384
CN1CCC(CC1)(C)C(=O)NC1CC(n2c1ncc2)C	MCULE-5794471919,EMOLS-id_320016290	276.377	QVWISYRNMCAFES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041385
CN1CCC(CC1)(C)C(=O)NCc1nn2c(c1)CCC2	MCULE-7450636983,EMOLS-id_320004381	276.377	NBWJPLDFYGFUHJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041386
CN1CCC(CC1)(C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319664633	276.377	UVBUTFHXYDEYHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041387
CN(C1CC(C1(C)C)NC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_316685825	276.377	AUNODNKGSUCYIU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041388
CN(C1CC(C1(C)C)NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318181696	276.377	NEHOZKYDUZQFMW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041389
CN(C1CC(C1(C)C)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_316617466	276.377	XJHJCJVQIWFGRN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041390
CN(C1CCCC(C1)NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_101212240	276.377	IMWSYNYQBMFNBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041391
CN(C1(C)CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_316599987	276.377	GQYVDFGIWJUXRG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041392
CN(Cc1nnc2n1CCC2)C(=O)CC1CCCCC1	PC-id_53499990,EMOLS-id_35706494,MCULE-4605143630,ZINC22_65393201	276.377	PVLSQAXVMSEDQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041393
CN(Cc1nnc2n1CCC2)C(=O)CCC1CCCC1	PC-id_51074976,ZINC22_58289726,EMOLS-id_31867868,MCULE-7037094173	276.377	ZDPZESKUGSNNPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041394
CN(CCC1CCCN1C(=O)c1cnc2n1CCC2)C	EMOLS-id_319892604,MCULE-3479150487	276.377	KRIHTMALWVQRNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041395
CN(CCC1CCCN1C(=O)c1cnn2c1CCC2)C	EMOLS-id_318816329	276.377	IZZNKZUQDWNHIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041396
CN(CCC1CCN(C1)C(=O)c1cnc2n1CCC2)C	EMOLS-id_318842012	276.377	DSJMZBWDECBGBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041397
CN(CCC1CCN(C1)C(=O)c1cnn2c1CCC2)C	MCULE-1600832627,EMOLS-id_320171824	276.377	LSOOCSJWDGPNNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041398
CN(CCC1CCN(C1)C(=O)c1nn2c(c1)CCC2)C	EMOLS-id_319099596	276.377	SEVVLKRYJMOJRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041399
CN(CCC1CCN(C1)C(=O)c1n[nH]c2c1CCC2)C	MCULE-2931212886,EMOLS-id_320058636	276.377	XAHKOQAYGOQMQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041400
CNCCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_120181829,EMOLS-id_302985079,MCULE-2428179151	276.377	JOHYXSUDDIQXMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041401
CN(C)C(=O)c1n[nH]c2c1CN(CC1CCCCC1)C2	ZINC22_96187510,EMOLS-id_44325293,CHEMBL3554358,PC-id_97461968	276.377	SJSRTEQXFVJHKB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041402
CN(C(=O)c1n[nH]c2c1CCC2)CCN1CCCCC1	PC-id_46981625,CoCoCo_514745,MCULE-4035221313,CoCoCo_514746,SYN-26084165	276.377	JTBFTHOZPWONQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041403
NCC1CN(C(CC1C)C)C(=O)c1cnn2c1CCC2	MCULE-3304492048,EMOLS-id_102100808	276.377	HZRIOSMHLSHOPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041404
N#Cc1c(NC(=O)C[NH+]2CCCC2)sc2c1CCC2	PC-id_8902005,GD-id_ZINC07786276	276.377	QKEXDSTUIHFXSF-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-041405
NCC(C(=O)N1CCn2c1ccn2)C1CCCCCC1	MCULE-6137169751,EMOLS-id_316776626	276.377	PQUBZJPZGLGISV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041406
NC[C@@H](C(=O)N1CCn2nccc12)C1CCCCCC1	ZINC22_1615547721	276.377	PQUBZJPZGLGISV-CYBMUJFWSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041407
NC[C@H](C(=O)N1CCn2nccc12)C1CCCCCC1	ZINC22_1615547734	276.377	PQUBZJPZGLGISV-ZDUSSCGKSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041408
NC(=O)c1[nH]c2c(c1Sc1ccccc1)SCC2	SCHEMBL14155136,PC-id_71089022	276.377	VIFXQZFWFVCNGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041409
O1C2C(C(NC(c3n4CCCc4nn3)C)C2CC1)(C)C	PC-id_64863704	276.377	JDKYAJQUQQINTC-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-041410
O=C(C1CCCN1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318780806	276.377	VKZLAKVABBDJFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041411
O=C(C1CCCN(C1)C(C)C)NC1CCn2c1ncc2	EMOLS-id_318868929	276.377	ZTOXDMYZTBBGGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041412
O=C(C1CCN(CC1)C(C)C)NC1CCn2c1ncc2	EMOLS-id_320099839,MCULE-1391664921	276.377	DYOXVUXCXZDWTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041413
O=C(c1cn2c(n1)CCC2)NC1CCNCC(C1)(C)C	EMOLS-id_319191030	276.377	AIZJFENYVDOFIY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041414
O=C(c1cnn2c1CCC2)NCCN1CCCC1(C)C	EMOLS-id_101493939	276.377	ZCQHQFJXTNDHQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041415
O=C(c1cnn2c1CCC2)NC(CN1CCCC1)(C)C	EMOLS-id_101502465	276.377	UKMBWPURVMENDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041416
O=C(c1cnn2c1CCC2)NCC(N1CCCC1)(C)C	EMOLS-id_318970847	276.377	IVNDDFWEFRRVLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041417
O=C(C1NCc2c1c[nH]n2)N(CCC1CCCCC1)C	EMOLS-id_318940384	276.377	FZMCAEBKOCNUDO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041418
O=C(c1nn2c(c1)CCC2)NCCN1CCCC1(C)C	EMOLS-id_101493945	276.377	GDCIHZBYYSGXCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041419
O=C(c1nn2c(c1)CCC2)NC(CN1CCCC1)(C)C	EMOLS-id_101502459	276.377	SDALEJSAQNRPFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041420
O=C(c1nn2c(c1)CCC2)NCC(N1CCCC1)(C)C	MCULE-8504359232,EMOLS-id_319958868	276.377	USZNNPTYPMYKEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041421
O=C(CCC1CCCC1)NCCc1nnc2n1CCC2	ZINC22_58391710,EMOLS-id_31935466,PC-id_51079731,MCULE-9896491064	276.377	BFUHDTYPSFNPOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041422
O=C(CCC1CCCCC1)NCc1nnc2n1CCC2	MCULE-1011560948,PC-id_45802633,ZINC22_40481206,EMOLS-id_31867762,CoCoCo_4491063	276.377	WUYVFBFLECLQJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041423
O=C(/C=C/c1cccs1)Nc1nc2c(s1)CCC2	ZINC22_15636949,CoCoCo_4164296,PC-id_26723409	276.377	MPISUUPIBZDXQC-VOTSOKGWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041424
O=C([C@@H]1CCN([C@@H](C1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_319554553	276.377	GZWTYIWKHWWWES-CQLXCSJHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041425
O=C([C@@H]1CCN([C@@H](C1)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318839712	276.377	KQQHXLMQPIAFBD-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041426
O=C([C@@H]1CCN([C@@H](C1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319879205	276.377	QRKKNLMJIRHISI-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041427
O=C(CN1C(C)CCC1C)NCc1n[nH]c2c1CCC2	MCULE-7240577177,EMOLS-id_320033618	276.377	RBETVXXIMRPHMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041428
O=C(N1CCCC(C1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101574930	276.377	XIZSYKILRANVTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041429
O=C(N1CCC(CC1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101576994	276.377	GLIAHEMTWNARBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041430
O=C(NC1CC1(C)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101572773	276.377	QFOIQXBHQQAEIN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041431
O=C(N(C1CC(C1)(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101572782	276.377	JULWMELQBQLKOL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041432
O=C(NC1(C)CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101579235	276.377	YHFJIKIGGSDBLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041433
O=C(NC1CC(n2c1ncc2)C)NC1CCCC1(C)C	EMOLS-id_101370748	276.377	KFQDBJRIWOHNSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041434
O=C(NC1CC(n2c1ncc2)C)NC1CCC(C1)(C)C	EMOLS-id_101376610	276.377	WHEVLKQQNSHMPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041435
O=C(NC1CC(n2c1ncc2)C)NC1CCCCC1C	EMOLS-id_101388550	276.377	DYSCSJXEVGXHRR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041436
O=C(NC1CC(n2c1ncc2)C)NC1CCCCCC1	EMOLS-id_101435148	276.377	ITVCNBSXPFSHJC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041437
O=C(NC1CC(n2c1ncc2)C)NCC1(CC1)C(C)C	EMOLS-id_101373334	276.377	CCKURSOFCUFTRE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041438
O=C(NC1CC(n2c1ncc2)C)NCC1(C)CCCC1	EMOLS-id_101385931	276.377	ZHLNNMALYDUSAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041439
O=C(NC1CC(n2c1ncc2)C)NCC1CCCCC1	EMOLS-id_101435127	276.377	UILWVYGTRVDZSV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041440
O=C(NC1CC(n2c1ncc2)C)N[C@H](C1CCCC1)C	EMOLS-id_101423043	276.377	XRKZUGACYCVZIU-AKJDGMEZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041441
O=C(Nc1n(C)nc2c1CCC2)CCC1CCNCC1	MCULE-3764561271,EMOLS-id_302217578,PC-id_120152379	276.377	ZZKDWJZGGFBLEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041442
O=C(Nc1n(C)nc2c1CCC2)CN1C(C)CCC1C	EMOLS-id_99901146	276.377	BPUCPGWEHNKLQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041443
O=C(Nc1sc2c(n1)CCC2)/C=Cc1cccs1	CoCoCo_4164297	276.377	MPISUUPIBZDXQC-SREVYHEPSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041444
O=C(Nc1sc2c(n1)CCC2)C=Cc1cccs1	MCULE-7747659678,PC-id_45836202,EMOLS-id_27367600	276.377	MPISUUPIBZDXQC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041445
O=C(N(C(C1(C)CC1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101577138	276.377	GGAUJTOORBZUHA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041446
O=C(N(CC1CCCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101414170	276.377	YFSHLAZWQYPVIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041447
O=C(NCc1cnc2n1CCC2)CCC1CCCN1C	EMOLS-id_320239011,MCULE-4151141162	276.377	XPGQYLUDXKODDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041448
O=C(N(Cc1[nH+]ccn1C)C)c1sc2c(c1)CCC2	GD-id_ZINC48375656	276.377	PXLQSRMVJIKPNC-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-041449
s1c2CCCc2cc1C(=O)NN=Cc1ccsc1	PC-id_85015555	276.377	LSTFHIVZGYWIGT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-041450
s1c2CCCc2cc1C(=O)NN=Cc1sccc1	PC-id_85015450	276.377	KBQAQADLFGBEFB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-041451
Sc1cccc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_107025686	276.377	ZTZXWKBSRVMGBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041452
Sc1ccc(cc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_113906807	276.377	FORWUSSDUVFSPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041453
CNC(=c1cc2c(=CC(S2)C(C#N)C#N)s1)NC	PC-id_145132799	276.38	JILIBOILMBCPME-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-041454
N#Cc1c(C)nsc1NCc1sc2c(n1)CCC2	MCULE-6294124909,EMOLS-id_318721556	276.38	DUTSEDPRZMRLFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041455
N#Cc1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_103378439	276.38	BZQNEEOSFBSHSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041456
NC(=S)c1ccc(cn1)Nc1sc2c(n1)CCC2	PC-id_115488386	276.38	ZZQCJHRHVOOVFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041457
NC(=S)c1ccncc1Nc1sc2c(n1)CCC2	PC-id_113269608	276.38	VZDFUXFPKJEYTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041458
s1c2CCCc2nc1Nc1cc(ncc1)C(=S)N	PC-id_62926616	276.38	NRCJUJHPYXRNII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041459
s1c2CCCc2nc1Nc1c(nccc1)C(=S)N	PC-id_81595520	276.38	JHCJCJRYIOZGAI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041460
s1c2CCCc2nc1Nc1ncccc1C(=S)N	PC-id_54963749	276.38	QMCUYUKKAXIAOA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041461
s1c2CCCc2nc1Nc1ncc(cc1)C(=S)N	PC-id_54963750	276.38	XZXXRDQQIBFEDY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041462
s1c2CCCc2nc1Nc1nccc(c1)C(=S)N	PC-id_54963751	276.38	NIVPEVXKKCSWNC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041463
s1c2CCCc2nc1Nc1nc(ccc1)C(=S)N	PC-id_64589646	276.38	DXHNKYVKDZITSA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041464
s1c2CNCc2nc1NC(=S)Nc1ccccc1	PC-id_82194106	276.38	GGNVGPUTEDHMAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041465
s1c2CN(Cc2nc1N)C(=S)Nc1ccccc1	PC-id_82194217	276.38	WLOHPJRUNIEYDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041466
C=CCCCN(C(=NC)NCc1nnc2n1CCC2)C	PC-id_109497720	276.381	UMWGAWMUHUMQAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041467
CCNC(=NCc1nnc2n1CCC2)NC1CCCC1	PC-id_110992493	276.381	SILOTBYLTWWOMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041468
CCNC(=NCc1nnc2n1CCC2)NCC1CCC1	PC-id_119117068	276.381	LZEJADYKPFIMIS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041469
CN=C(N1CCC(C1)(C)C)NCc1nnc2n1CCC2	PC-id_111738284	276.381	HQVBWJLXHMFCEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041470
CN=C(N1CCCC(C1)C)NCc1nnc2n1CCC2	PC-id_111143772	276.381	VBCFFOXLUZHRKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041471
CN=C(N1CCC(CC1)C)NCc1nnc2n1CCC2	PC-id_111211125	276.381	QKVDLFGMDWUGPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041472
CN=C(NC1CCCCC1)NCc1nnc2n1CCC2	PC-id_110959113	276.381	IRRMKQLWZANXBK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041473
NC(=NCc1nnc2n1CCC2)NC1CCCCCC1	PC-id_109940977	276.381	BJYSAOQSXLQSPI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041474
CCc1cc(n(n1)C)CC(c1sc2c(c1)CCC2)O	PC-id_115813438	276.397	WZFDJEPHOIRYHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041475
CCCCCCC(=O)Nc1c(C#N)c2c(CCC2)s1	EMOLS-id_328053928,MCULE-8261401503	276.397	LWQZFZDDGBNLEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041476
CCCn1ccnc1CC(c1sc2c(c1)CCC2)O	PC-id_115820987	276.397	NIRBQLBSVSKXES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041477
CC(n1ccc(n1)CC(c1sc2c(c1)CCC2)O)C	PC-id_115806587	276.397	OIVUKAWSJBXGSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041478
CCn1nc(cc1CC(c1sc2c(c1)CCC2)O)C	PC-id_115816370	276.397	RPIOKPPTHBOHPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041479
O=C(c1sc2c(c1)CCC2)N1CCC2NC(C1)CC2	MCULE-6193828421,EMOLS-id_301774038,PC-id_81483731	276.397	PXGOUHRIKHLHHT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041480
O=C(c1sc2c(c1)CCC2)NC1(CC1)C1CCNC1	EMOLS-id_318787185	276.397	YZXJBVRWEHRPOW-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-041481
O=C(c1sc2c(c1)CCC2)NCCC1=CCNCC1	PC-id_107486609	276.397	PVFMLUOOTAJXTQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-041482
O=C(N1C2CCNCC1CC2)c1cc2c(s1)CCC2	PC-id_120298996,MCULE-9418321180,EMOLS-id_302206381	276.397	IFQOQDHFLSEBAE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041483
s1c2c(CCC2)cc1C(=O)N(CC(C)C)CCC#N	PC-id_54941010	276.397	HYTNEQOKQKPCDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041484
s1c2CCCc2cc1C(=O)NN=C1C(CCCC1)C	PC-id_85015563	276.397	VOPUKNZRLUGXRO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-041485
s1c2CCCc2cc1C(=O)NN=C1CC(CCC1)C	PC-id_85015573	276.397	IHKUNWJKTYTTOP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-041486
s1c2CCCc2cc1C(=O)NN=C1CCCCCC1	PC-id_9462456	276.397	ZPLAEMDZMYDBSD-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-041487
s1c2CCCc2cc1C(=O)N/N=C
/C[C@@H](CCC1)C	PC-id_9462646	276.397	IHKUNWJKTYTTOP-RXLYCMMBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-041488
s1c2CCCc2cc1C(=O)N/N=C
/C[C@H](CCC1)C	PC-id_9462647	276.397	IHKUNWJKTYTTOP-XYSKEJRNSA-N	00000010100010000000000010000000000000000000000000000000	25-01-041489
s1c2CCCc2cc1C(=O)NN=C1[C@@H](CCCC1)C	PC-id_9462622	276.397	VOPUKNZRLUGXRO-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-041490
s1c2CCCc2cc1C(=O)NN=C1[C@H](CCCC1)C	PC-id_9462624	276.397	VOPUKNZRLUGXRO-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-041491
CC1CC(c2n1ccn2)NCCc1sc(c(n1)C)C	MCULE-6451975018,EMOLS-id_318201558	276.4	FNENHRCMDLVJEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041492
CC1CC(c2n1ncn2)NCC(c1cccs1)(C)C	MCULE-2585419927,EMOLS-id_318612334	276.4	VBRWJIYZOHZCKL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041493
Cc1ccsc1[C@H](C)NCCc1nnc2n1CCC2	PC-id_97229717,ZINC22_95419910	276.4	VBYITZMSYAOSLT-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-041494
Cc1ccsc1[C@@H](C)NCCc1nnc2n1CCC2	ZINC22_95419909,PC-id_97229716	276.4	VBYITZMSYAOSLT-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041495
Cc1cnc(s1)C(CNC1CC(n2c1ncc2)C)C	MCULE-2525970094,EMOLS-id_317981757	276.4	VPORZNUBJSXRED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041496
Cc1cnc(s1)C(NCc1cnc2n1CCC2)(C)C	MCULE-1745453265,EMOLS-id_318307857	276.4	ISINWGSXOVKZLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041497
Cc1csc(n1)C(CNC1CC(n2c1ncc2)C)C	EMOLS-id_318192640,MCULE-1745695839	276.4	UQHAEUKZVFRAPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041498
Cc1csc(n1)C(NCc1cnc2n1CCC2)(C)C	MCULE-4158097471,EMOLS-id_318108480	276.4	WRHROUNRLBFORT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041499
Cc1nc(c(s1)CCNC1CC(n2c1ncc2)C)C	MCULE-5763109369,EMOLS-id_318239694	276.4	JJEYYZSBCCMOJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041500
Cc1nc(c(s1)C(NC1CC(n2c1ncc2)C)C)C	EMOLS-id_317927512,MCULE-7458297727	276.4	FQXALEOXZAOOIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041501
Cc1nc(c(s1)CNC(c1nn2c(c1)CCC2)C)C	MCULE-3696774152,EMOLS-id_318306821	276.4	CWTSPNSFRBCDBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041502
Cc1nn(c(c1)CNc1sc2c(n1)C(CC2)(C)C)C	MCULE-1114370955,EMOLS-id_318737738	276.4	KFHVPWZDWOOZLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041503
Cc1sc(c(c1)C(NCc1nnc2n1CCC2)C)C	EMOLS-id_318419859,MCULE-3215311843	276.4	NGRMMFMFTBOFTB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041504
Cc1sc(c(c1)CNC(c1nnc2n1CCC2)C)C	MCULE-2001617344,PC-id_61553513,EMOLS-id_317957799	276.4	SRPXWAZXMPIUAN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041505
Cc1sc(c(n1)C(NC1CC(n2c1ncc2)C)C)C	MCULE-1627570730,EMOLS-id_318079542	276.4	FLZALQFYZHHCRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041506
CC(c1cnc(s1)NCc1cnc2n1CCC2)(C)C	MCULE-9533559400,EMOLS-id_318172647	276.4	IPQNWDSMHRSXBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041507
CCc1nn(cc1C(c1sc2c(n1)CCC2)NC)C	PC-id_112670274	276.4	FTWKIKAZGHOQMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041508
CC(c1sccc1C)NCCc1nnc2n1CCC2	MCULE-4901209512,PC-id_75382602,EMOLS-id_48266075	276.4	VBYITZMSYAOSLT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041509
CC(C(c1nncn1C)NC1CCc2c1scc2)C	MCULE-4462391539,EMOLS-id_318650143	276.4	PRJCSOYDEAVCHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041510
CCCn1ccnc1C(c1sc2c(c1)CCC2)NN	PC-id_113701863	276.4	HVOCDSWRKQSTPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041511
CCCn1ncc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105288513	276.4	IENTUQOZJHIZOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041512
CCCn1nccc1C(c1sc2c(c1)CCC2)NN	PC-id_113701793	276.4	DUYQIYATRPOOMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041513
CCCn1ncc(c1)C(c1sc2c(n1)CCC2)NC	PC-id_103572491	276.4	FZGRBLRQUBGOFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041514
CCCn1ncnc1CC(c1sc2c(c1)CCC2)N	PC-id_105002977	276.4	QTJDEWGOADUEKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041515
CCCn1nncc1C(c1sc2c(c1)CCC2)NC	PC-id_105038476	276.4	UAJFNBVFKVPLOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041516
CCCNC(c1cnnn1C)c1sc2c(c1)CCC2	PC-id_105043506	276.4	GUKBIELYUODWGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041517
CCn1ncc(c1)CC(c1sc2c(c1)CCC2)NN	PC-id_105291343	276.4	HSTAOHNSRSBXNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041518
CCn1nc(c(c1C)NCc1sc2c(n1)CCC2)C	EMOLS-id_318051962,MCULE-2397692114	276.4	TUMVALDCTFKJEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041519
CC(n1ncnc1CNC1CCc2c1scc2)(C)C	MCULE-2737321733,EMOLS-id_318597142	276.4	FJSCZYKVRIELON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041520
CC(NC1CC(n2c1ncn2)C)Cc1ccc(s1)C	MCULE-4551280959,EMOLS-id_318718692	276.4	DRFNJSSFOZGPCY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041521
CCNC(c1sc2c(c1)CCC2)Cc1ncnn1C	PC-id_104997970	276.4	HRXJRBKGQSATAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041522
CCNC(c1sc2c(c1)CCC2)Cc1nnn(c1)C	PC-id_107063896	276.4	CJRIMSXFHBRCDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041523
CCNC(c1sc2c(n1)CCC2)c1cnn(c1)CC	PC-id_103570188	276.4	OZQYWOAJMDHBFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041524
Cn1ccc(n1)CCNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318578553,MCULE-6400222545	276.4	QBAKDIKQDDZTPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041525
Cn1ccc(n1)C(Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_318673264,MCULE-3930613369	276.4	CIDUOUMFENHGJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041526
Cn1nccc1CCNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318453581,MCULE-4694875477	276.4	VMFVGJBJJKCTHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041527
Cn1ncc(c1C)CNc1sc2c(n1)C(CC2)(C)C	MCULE-6610408025,EMOLS-id_318720886	276.4	MTUZWQWCCDTSKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041528
Cn1ncc(c1)[C@@H](N[C@H](c1sc2c(n1)CCC2)C)C	PC-id_97251244	276.4	DQPRTEYPJSEVEG-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041529
Cn1ncc(c1)[C@H](N[C@H](c1sc2c(n1)CCC2)C)C	PC-id_97251245	276.4	DQPRTEYPJSEVEG-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041530
Cn1ncc(c1)[C@@H](N[C@@H](c1sc2c(n1)CCC2)C)C	PC-id_97251246	276.4	DQPRTEYPJSEVEG-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041531
Cn1ncc(c1)[C@H](N[C@@H](c1sc2c(n1)CCC2)C)C	PC-id_97251247	276.4	DQPRTEYPJSEVEG-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041532
Cn1ncc(c1)C(Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_318597888,MCULE-1429168470	276.4	MUXXNJJCEYYQJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041533
Cn1ncc(c1)C(NC(c1sc2c(n1)CCC2)C)C	EMOLS-id_48302772,PC-id_75437140	276.4	DQPRTEYPJSEVEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041534
Cn1ncc(c1)C(NCc1sc2c(n1)CCC2)(C)C	MCULE-5127949033,EMOLS-id_318147272	276.4	SKZRXOCGORMCHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041535
CN(Cc1nn(c2c1CN(C2)Cc1cscc1)C)C	PC-id_97519171	276.4	RXUGWVAPFMBLCZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041536
CNC(c1sc2c(c1)CCC2)Cc1ncnn1CC	PC-id_105001817	276.4	YWKFEGALISSVGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041537
CNC(c1sc2c(n1)CCC2)c1cnn(c1)C(C)C	PC-id_108386572	276.4	BEPYWMLMDJVLRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041538
NC(c1sc2c(c1)CCC2)Cc1ncnn1C(C)C	PC-id_104999506	276.4	HJXOYHANNFKMFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041539
NNC(c1sc2c(c1)CCC2)Cc1cc(nn1C)C	PC-id_113702622	276.4	GRJPHPYELIYVLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041540
NNC(c1sc2c(c1)CCC2)Cc1nccn1CC	PC-id_113703138	276.4	XJMJBMXOZBWLRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041541
NNC(c1sc2c(c1)CCC2)CCc1ccnn1C	PC-id_103026010	276.4	HSHBQIFTKFRBID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041542
NNC(c1sc2c(c1)CCC2)CCc1cnn(c1)C	PC-id_103025647	276.4	KAOKREBIBPYTBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041543
NNC(c1sc2c(c1)CCC2)CCc1nccn1C	PC-id_113705180	276.4	WNPQYWZVEKSDIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041544
s1c2c(CCC2)cc1CNCc1n(ncn1)C(C)C	PC-id_65607812	276.4	DTVNSCZYKBLZRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041545
s1c2c(CCC2)cc1CNCc1n(ncn1)CCC	PC-id_65608008	276.4	UFQZNCCZYYYGMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041546
s1c2CCCc2nc1C(NC)c1c(n(nc1C)C)C	PC-id_61332747	276.4	MOLQUJXAZGZCJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041547
s1c2CCCc2nc1C(NC)c1n(CCC)cnc1	PC-id_66131827	276.4	VEMXYJUEXJTOIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041548
s1c2CCCc2nc1C(NC)c1n(C(C)C)cnc1	PC-id_66164418	276.4	NMPGRMPQQSWZBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041549
s1c2CCCc2nc1C(NCC)c1c(n(nc1)C)C	PC-id_79584468	276.4	KBSHQUCRIOHZSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041550
s1c2CCCc2nc1C(NCC)c1c(nn(c1)C)C	PC-id_83091554	276.4	RHBZPJPQLZINFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041551
s1c2CCCc2nc1C(NCC)c1n(CC)cnc1	PC-id_66132468	276.4	IVZSUADIQLGCEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041552
s1c2CCCc2nc1C(NC(C)C)c1cn(nc1)C	PC-id_61335038	276.4	GSEVSPMNIURWPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041553
s1c2CCCc2nc1C(NCCC)c1cn(nc1)C	PC-id_61335576	276.4	AIMFNPMDBRXNNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041554
s1c2CCCc2nc1C(NC(C)C)c1n(cnc1)C	PC-id_66116279	276.4	FODXWTIATDSHBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041555
s1c2CCCc2nc1C(NCCC)c1n(cnc1)C	PC-id_66119017	276.4	AAMAHEWWDOVTSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041556
s1c(CNC(c2n3CCCc3nn2)C)ccc1CC	PC-id_62347160	276.4	WXHZAVKGAONAKL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041557
s1c(C(NC(c2n3CCCc3nn2)C)C)ccc1C	PC-id_43748129	276.4	FUAVWXJTSHLPER-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041558
s1c(C(NC(c2n3CCCc3nn2)C)C)c(cc1)C	PC-id_63992478	276.4	GMOVBHIBZALDPV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041559
s1c(C(NC(c2n3CCCc3nn2)C)CC)ccc1	PC-id_43748032	276.4	BQUTZQQBXCTYCD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041560
CCc1ccc(s1)CC(=O)c1sc2c(c1)CCC2	PC-id_113656684	276.417	XUEKTDUUQKLZIT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-041561
CCCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N	PC-id_12369143,SCHEMBL11608882	276.417	CGLRGASXLYYYRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041562
COC1CCc2c1csc2SCc1ccccc1	PC-id_142650725	276.417	CDXYNTLPVIKUHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041563
COc1ccc(cc1)CSC1Cc2c(C1)csc2	PC-id_142650718	276.417	DTUAHOJKZCRQNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041564
COc1ccc(cc1)CSc1scc2c1CCC2	PC-id_140973479	276.417	HQOQZTYGXSRYFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041565
CC1CC(c2n1ccn2)NC1CC(C)(C)NC(C1)(C)C	EMOLS-id_102715240	276.42	QDBDGFCFLVJVKL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041566
CC(C1CCCC(C1)NC(c1nnc2n1CCC2)C)C	PC-id_107448275	276.42	TYSTYJPUOKXKQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041567
CC(c1nn2c(c1)CCC2)NC1CCN(C1)C(C)(C)C	EMOLS-id_318176365	276.42	GKZBXXSITQECOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041568
CCCC1CCC(CC1)NC(c1nnc2n1CCC2)C	PC-id_43748041,EMOLS-id_317939368	276.42	SHPTVAVMOBIZNS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041569
CC(C)CN1CCC(CC1)NCc1n[nH]c2CCCc12	ZINC22_67803099,PC-id_56709191,MCULE-3742101326,EMOLS-id_36438222	276.42	ZVTCUEUSGOSYNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041570
N(C1CC(CC(C1)C)(C)C)C(c1n2CCCc2nn1)C	PC-id_43748125	276.42	FDSBNAIMDHQINY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041571
N(C1CCC(CC1)C(C)C)C(c1n2CCCc2nn1)C	PC-id_62708598	276.42	SYFMMSZNUUQYRG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041572
N(C1C(CC(CC1)(C)C)C)C(c1n2CCCc2nn1)C	PC-id_81321199	276.42	YURCPGIQYMECKD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041573
N(C1C(CCCC1)C(C)C)C(c1n2CCCc2nn1)C	PC-id_81916252	276.42	GRCVARVDDYPHSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041574
N(C1CCC(CCC1)CC)C(c1n2CCCc2nn1)C	PC-id_65083584	276.42	BKFAAWSZUMGFHE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041575
N(C1CCC(CCC1)(C)C)C(c1n2CCCc2nn1)C	PC-id_65083630	276.42	JTMQZJDDWCJVPX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041576
s1c2CCCc2nc1C(N)c1ccc(SC)cc1	PC-id_61333074	276.42	YJKVNRPHUNYMHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041577
s1c(nc2c1CCC2)C(NC1CC1)c1ccsc1	PC-id_61336052	276.42	DLXOGJXQEALCJA-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-041578
s1c(nc2c1CCC2)C(NC1CC1)c1sccc1	PC-id_61345361	276.42	SDRHOLWGHKRQOU-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-041579
CC1CC(CN1C1CC1)NCc1sc2c(c1)CCC2	PC-id_115717107	276.44	GTDAVYVEDZVXNO-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-041580
CC(c1sc2c(n1)CCC2)(NC1CC1)CC1CCC1	PC-id_116224333	276.44	NMLBTGTVIWWUAV-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-041581
C/C=Cc1sc2c(c1/C=CC(C)C)NC(N2)C(C)C	PC-id_144812888	276.44	ZKOAKFFXQQXBRP-JPDBVBESSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041582
N#CC(CCCCNCc1sc2c(c1)CCC2)(C)C	PC-id_106709155	276.44	LBAYRGFPLALECR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041583
NNC(c1sc2c(c1)CCC2)C1=CCCCCCC1	PC-id_113860046	276.44	AKQKUEBAHLMRKN-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-041584
s1c(nc2c1CCC2)C(NC1CC1)(C1CCCC1)C	PC-id_55096964	276.44	NGWZAVUEFXQSPE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041585
s1c(nc2c1CCC2)C(NC1CC1)C1CCCCC1	PC-id_61333515	276.44	CQJMWFSPQQPERA-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-041586
CC(N1C(c2c(C1C(C)(C)C)cc[nH]2)C(C)(C)C)(C)C	SCHEMBL18931710	276.46	DLIZAXFPZKVZGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041587
CS(c1sc(c2c1CCC2)S(C)(C)C)(C)C	SCHEMBL20647229,PC-id_137413666	276.525	WVODWMHPBKJEDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041588
c1(C(=O)Nc2cccc(Cl)c2C)c2CCCc2on1	EMOLS-id_15971922,PC-id_5075960,TIMTEC403749,MCULE-1544361236,ZINC22_426293	276.718	QKCUZIBQVZDLND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041589
Clc1cc(Cc2[nH]c3CCC(c3n2)C(=O)O)ccc1	PC-id_84010888	276.718	UXFWGEJLVLCFLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041590
Clc1ccccc1Cn1nc2c(c1C(=O)O)CCC2	PC-id_95480809	276.718	QNYZCTONFYVWTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041591
Clc1cccc(c1)Cn1nc2c(c1C(=O)O)CCC2	PC-id_95480812	276.718	IKQUDARCNGGHNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041592
Clc1ccc(cc1)Cn1nc2c(c1C(=O)O)CCC2	PC-id_95480815	276.718	DODCJAZSRMABCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041593
Clc1ccccc1Cn1nc(c2c1CCC2)C(=O)O	PC-id_95480810	276.718	GYZORNGTAGDIMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041594
Clc1cccc(c1)Cn1nc(c2c1CCC2)C(=O)O	PC-id_95480814	276.718	NQYROHXYPOAVJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041595
Clc1ccc(cc1)Cn1nc(c2c1CCC2)C(=O)O	PC-id_95480816	276.718	UIQDWBCNHQWCAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041596
Clc1ccc(Cc2[nH]c3CCC(c3n2)C(=O)O)cc1	PC-id_84010896	276.718	VFQOGTSNELPBOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041597
Clc1cccc(c1)NCC(=O)N1CCn2c1ccn2	MCULE-9629740977,EMOLS-id_318119397	276.722	KSEDZKKBYWYYLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041598
Clc1cc(C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52024780	276.722	YVPQQVOEYMZNDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041599
Clc1c(C(=O)NCc2n3CCCc3nn2)cccc1	PC-id_52024776	276.722	FUSCZCAOEIUCQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041600
Clc1cncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318939189	276.722	ZZVZUSHYOYSBFL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041601
O=C(c1ccncc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318970942	276.722	RSIRSZOFYCFCRV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041602
O=C(c1ncccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_318848373	276.722	XWRJZSHYJGAOGL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041603
O=C(c1ncccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319819492,MCULE-5890616989	276.722	MECQXHKEQCMVOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041604
O=C(NCc1nnc2n1CCC2)c1ccc(Cl)cc1	PC-id_17521760,ZINC22_15545179,MCULE-8977324840,EMOLS-id_31867748	276.722	LOWSHFVDMXSOCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041605
C1C(C(=O)c2c1scc2)C(=O)c1ccc(cc1)Cl	SCHEMBL15312106,PC-id_86699214	276.738	IPAJPLVPGGIOEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041606
ClCCN(C1C(O)C(O)c2sccc12)C(=O)N	PC-id_77583008	276.74	WLZHNEGZSQSLIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041607
ClCCN([C@@H]1[C@H](O)[C@H](O)c2sccc12)C(=O)N	SCHEMBL4251416,PC-id_68975264	276.74	WLZHNEGZSQSLIU-FXQIFTODSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041608
ClCCNC(=O)NC1C(O)C(O)c2sccc12	PC-id_68764681,SCHEMBL3730709	276.74	PXGIKWXRDKYJMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041609
ClCCNC(=O)N[C@@H]1[C@H](O)[C@H](O)c2sccc12	SCHEMBL3730708,PC-id_68764680	276.74	PXGIKWXRDKYJMX-FXQIFTODSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041610
Clc1cc(sc1)C(=O)c1n2CCC(c2cc1)C#N	PC-id_21331528,SCHEMBL11353026	276.741	VIDJBYLXDVMBIN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-041611
Clc1c(scc1)C(=O)c1n2CCC(c2cc1)C#N	PC-id_21331549,SCHEMBL11354290	276.741	MKSCWFHHJFLXAF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-041612
Clc1sc(C(=O)c2n3CCC(c3cc2)C#N)cc1	SCHEMBL11342909,PC-id_21331538	276.741	IXLIGUJROOFTAA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-041613
C1Cn2c(c(c(=Nc3ccc(cc3)Cl)s2)C#N)N1	PC-id_136901710	276.745	BUAGMHYPSAEJTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041614
N#Cc1ccnc(c1Cl)Nc1sc2c(n1)CCC2	PC-id_107057237	276.745	AQYBVINGWFIRMM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041615
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)OC	MCULE-4784654927,EMOLS-id_330970623	276.761	GLSNTFPAQHSIMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041616
c12C(C)CCc1nn(Cc1ccc(cc1Cl)OC)c2	MCULE-9718649109,EMOLS-id_331000743	276.761	DZWRHPVNOUCQRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041617
c12C(C)CCc1nn(Cc1ccc(cc1OC)Cl)c2	EMOLS-id_330999979,MCULE-1678006610	276.761	VVUHLXIIMDFPNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041618
c12C(C)CCc1nn(Cc1ccc(c(Cl)c1)OC)c2	EMOLS-id_331000487,MCULE-9447132698	276.761	HJXMVHKAILXHDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041619
c12C(C)CCc1nn(Cc1ccc(c(OC)c1)Cl)c2	EMOLS-id_330999723,MCULE-2117465499	276.761	YDUCOUAWDYYVFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041620
CC1CCc2c1c(CO)nn2Cc1ccccc1Cl	MCULE-8411955836,EMOLS-id_331009274	276.761	MLTMEAWBQHLRHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041621
CC1CCc2c1c(CO)nn2Cc1ccc(Cl)cc1	EMOLS-id_331006460,MCULE-4441261793	276.761	CDZPJZRMGQPMDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041622
CC1CCc2c1c(O)nn2Cc1cccc(C)c1Cl	MCULE-2579426648,EMOLS-id_330959858	276.761	MYCAIBDAXMTDPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041623
CC1CCc2c1c(O)nn2Cc1ccc(C)cc1Cl	MCULE-2709317847,EMOLS-id_330959346	276.761	LXVQMGWCIZLARY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041624
CC1CCc2c1c(O)nn2Cc1c(C)cccc1Cl	MCULE-6168823937,EMOLS-id_330959602	276.761	ZQKNSIBYIXJLLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041625
CC1CCc2c1c(O)nn2Cc1cc(C)ccc1Cl	MCULE-7729005823,EMOLS-id_330960114	276.761	LMEXWIMIQBHRQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041626
CC1CCc2c1c(O)nn2Cc1ccc(C)c(Cl)c1	MCULE-4051863645,EMOLS-id_330957811	276.761	SVUOQMFKJQBKKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041627
CC1CCc2c1c(O)nn2Cc1cc(C)cc(Cl)c1	MCULE-6971737863,EMOLS-id_330958323	276.761	GUXHGAWWPZJHOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041628
CC1CCc2c1c(O)nn2Cc1cccc(Cl)c1C	MCULE-3726887633,EMOLS-id_330958067	276.761	JIFZORYPBTVEQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041629
CC1CCc2c1c(O)nn2Cc1ccc(Cl)cc1C	MCULE-9628197983,EMOLS-id_330960627	276.761	ACDRKRLJIVYGDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041630
CC1CCc2c1c(O)nn2Cc1ccc(Cl)c(C)c1	MCULE-7380099804,EMOLS-id_330960883	276.761	HWAJNEMQKKSWEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041631
CC1CCc2c1c(O)nn2Cc1cc(Cl)ccc1C	MCULE-7605667549,EMOLS-id_330958579	276.761	OJBNLIFKGQZACS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041632
CC1CCc2nn(Cc3ccccc3Cl)c(CO)c12	EMOLS-id_330992053,MCULE-8041580395	276.761	ODDJJKWHMAXNSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041633
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(O)c12	EMOLS-id_331005615,MCULE-9560430494	276.761	NUEFSUFUOPHIAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041634
CC1CCc2nn(Cc3cccc(C)c3Cl)c(O)c12	MCULE-1655092705,EMOLS-id_331006112	276.761	KWCLCVBXHGLRGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041635
CC1CCc2nn(Cc3c(C)cccc3Cl)c(O)c12	MCULE-5168330163,EMOLS-id_331005871	276.761	UVCJJZPQNKVHIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041636
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(O)c12	MCULE-6190943689,EMOLS-id_331006368	276.761	KOWMPDMOWGAJCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041637
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(O)c12	MCULE-3498694073,EMOLS-id_331008672	276.761	QQJVZTQVXXKHPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041638
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(O)c12	MCULE-9091865215,EMOLS-id_331008160	276.761	BBMFBJCKWWKIAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041639
CC1CCc2nn(Cc3cccc(Cl)c3C)c(O)c12	MCULE-1477789151,EMOLS-id_331008416	276.761	ACTTZDWHZPJEGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041640
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(O)c12	MCULE-1462976167,EMOLS-id_331006881	276.761	KZOWEKXTAMFBMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041641
CC1CCc2nn(Cc3ccc(Cl)cc3)c(CO)c12	MCULE-2142845615,EMOLS-id_330993334	276.761	AEOQFORKXFFXTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041642
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(O)c12	EMOLS-id_331007137,MCULE-5337450277	276.761	IVUOAAUASSPPCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041643
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(O)c12	EMOLS-id_331008928,MCULE-2347653712	276.761	MWNGLKCAPNGWAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041644
Clc1n(nc2c1CCC2)CCCOc1ccccc1	PC-id_66023280	276.761	ZGELJEKRTNTDDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041645
COc1ccccc1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_331021743,MCULE-7273095567	276.761	KEWFKXDJGDYUIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041646
COc1ccccc1Cn1nc(Cl)c2C(C)CCc12	EMOLS-id_330975219,MCULE-9862877766	276.761	OLESPVLAKLZQKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041647
COc1cccc(Cn2nc3CCC(C)c3c2Cl)c1	MCULE-9461062161,EMOLS-id_331018670	276.761	RHZUMULQQLFMJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041648
COc1cccc(Cn2nc(Cl)c3C(C)CCc23)c1	EMOLS-id_330976241,MCULE-5370190861	276.761	CBIBGBHSQCTQSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041649
COc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1	EMOLS-id_331021227,MCULE-1681392225	276.761	NQBOOVFCQRVBJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041650
COc1ccc(Cn2ncc3C(C)CCc23)cc1Cl	MCULE-1594950897,EMOLS-id_331014634	276.761	NUFAETURWUCUPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041651
COc1ccc(Cn2ncc3C(C)CCc23)c(Cl)c1	EMOLS-id_331014890,MCULE-2691171699	276.761	JYZBDEACBJBNJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041652
COc1cc(Cl)ccc1Cn1ncc2C(C)CCc12	EMOLS-id_331018221,MCULE-4323484129	276.761	FKYKGLMIYNZMAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041653
COc1cc(Cn2ncc3C(C)CCc23)ccc1Cl	MCULE-3737684895,EMOLS-id_331017965	276.761	PWHLLQCSIDFWTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041654
ClCS(=O)(=O)Nc1sc2c(CCC2)c1C#N	PC-id_63666577,EMOLS-id_39939623	276.763	HPHYQMZWMLJMEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041655
c1(CN(C)Cc2ccncc2Cl)c2CCCc2[nH]n1	EMOLS-id_49872446,ZINC22_215233621,MCULE-7570991037,PC-id_77082003	276.765	GIEGEFSRCSXHSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041656
Cc1c(Cl)cncc1NCc1c2c(nn1C)CCC2	EMOLS-id_313194562,ZINC22_894660308,MCULE-5179919136	276.765	DBPZXONFXQUSPD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041657
CC(c1ccccc1Cl)NCc1nnc2n1CCC2	EMOLS-id_318539754,MCULE-4511823747	276.765	WRSCBPHHEQAAOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041658
CC(c1ccncc1Cl)NC1CC(n2c1ncc2)C	MCULE-6782428506,EMOLS-id_318319035	276.765	ZYWJCQJKCYVNBO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041659
CC(c1nnc2n1CCC2)NCc1ccccc1Cl	PC-id_43433234,MCULE-8496296630,EMOLS-id_317955395	276.765	IVKNWXJJYKCNAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041660
C[C@H](c1ccc(cc1)Cl)NC1CC(n2c1ncn2)C	EMOLS-id_318432933	276.765	RXYCYJFDWGHKOK-RUETXSTFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041661
C[C@@H](c1ccc(cc1)Cl)NC1CC(n2c1ncn2)C	EMOLS-id_318603179,MCULE-1423712095	276.765	RXYCYJFDWGHKOK-QUNCOHTASA-N	00000010100000110001000010000000000000000000000000000000	25-01-041662
C[C@H](c1ccccc1Cl)NC1CC(n2c1ncn2)C	EMOLS-id_318696795	276.765	QOQZRJRLUDMFGJ-RUETXSTFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041663
C[C@@H](c1ccccc1Cl)NC1CC(n2c1ncn2)C	MCULE-7190107520,EMOLS-id_318697344	276.765	QOQZRJRLUDMFGJ-QUNCOHTASA-N	00000010100000110001000010000000000000000000000000000000	25-01-041664
Clc1ccccc1CCNC1CC(n2c1ncn2)C	EMOLS-id_318609609,MCULE-6806602943	276.765	SXEPLBVUJDGPDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041665
Clc1ccc(c(c1)CNC1CC(n2c1ncn2)C)C	MCULE-5735022948,EMOLS-id_318634294	276.765	FRVUYMSRMJNMNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041666
Clc1ccc(cc1)C(NCc1nnc2n1CCC2)C	EMOLS-id_318429139,MCULE-9490286857	276.765	RUJNWKCFMXSYRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041667
Clc1cccc(c1)C(NCc1nnc2n1CCC2)C	MCULE-5817114382,EMOLS-id_318379149	276.765	HABBQBNUBLGJCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041668
Clc1cccc(c1)CNC(c1nnc2n1CCC2)C	PC-id_43433225,EMOLS-id_317978961,MCULE-4495606637	276.765	CPRJYPBTNJKRHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041669
Clc1ccc(cc1)CNC(c1nnc2n1CCC2)C	PC-id_43433231,EMOLS-id_317931403,MCULE-8258108093	276.765	DZLZGMUMXIIHOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041670
Clc1ccc(nc1)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318212893,MCULE-5891896433	276.765	MZQUQKVFJJWENK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041671
Clc1cccc(c1)CC(=O)c1sc2c(c1)CCC2	EMOLS-id_314835391,PC-id_62503412	276.781	CTGIQFPAFGFYOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041672
Clc1ccc(cc1)CC(=O)c1sc2c(c1)CCC2	PC-id_61079522,EMOLS-id_314844138	276.781	VJRFYHJNXCOMEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041673
Clc1c(CC(=O)c2sc3CCCc3c2)cccc1	EMOLS-id_314558888,PC-id_61054033	276.781	ITPLEMAGEOUUQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041674
ClC(C(=O)c1sc2CCCc2c1)c1ccccc1	PC-id_81236327	276.781	UWMTVBMKOYUNKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041675
O=C(c1ccc(c(c1)Cl)C)c1sc2c(c1)CCC2	PC-id_107561504	276.781	SEEAIYQPLREZEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041676
ClC(c1sc2c(CCC2)c1)c1cc(c(cc1)C)C	PC-id_55198864	276.824	MNOUIVVPAZZDKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041677
ClC(c1sc2c(CCC2)c1)c1c(ccc(c1)C)C	PC-id_55199655	276.824	VYCDCCKXQDHJHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041678
ClC(c1sc2c(CCC2)c1)c1c(cc(cc1)C)C	PC-id_63430517	276.824	NHFBEAQBIXQVOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041679
ClC(c1sc2c(CCC2)c1)c1ccc(cc1)CC	PC-id_63431370	276.824	JRDINRYJTPYWEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041680
ClC(c1sc2c(CCC2)c1)Cc1ccc(cc1)C	PC-id_55225211	276.824	IOMVYGAKGJZHPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041681
ClC(c1sc2c(CCC2)c1)Cc1cc(ccc1)C	PC-id_63543916	276.824	ANECSNKGOPYOGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041682
ClC(c1sc2c(CCC2)c1)Cc1c(cccc1)C	PC-id_63544234	276.824	VAHUTKAHUFZQSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041683
CC(=O)N1c2n(ncc2I)CC1	ZINC22_411056871,MCULE-7924364167,EMOLS-id_177281931	277.062	COJYAKUOGRNFRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041684
c1(C#N)c2COCc2sc1I	EMOLS-id_331065121,MCULE-4588841914	277.082	XEQFOQOCVGXYIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041685
CC1=C(SC=N1)C(=O)N(C)CC2=NN=C3N2CCC3	EMOLS-id_257862983,MCULE-1643048411,PC-id_154773866	277.1	WQAVMFMIMZCBRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041686
c12CNCc1nn(CCC)c2I	MCULE-8397753388,EMOLS-id_324345698	277.105	HMJDAAFLOBKCRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041687
CC1(C2=C(CN1C(=O)[O-])C=NN2NC(=O)C3CCC3)C	PC-id_161095876	277.131	UHUBBLKLUQTHAZ-UHFFFAOYSA-M	00001010100000000001000010000000000000000000000000000000	25-01-041689
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3CCC3)C	PC-id_162170517	277.131	ZNSLVGKJYJUYPL-UHFFFAOYSA-M	00001010100000000001000010000000000000000000000000000000	25-01-041690
Brc1sc2c(C(O)(CC2)CC(=O)O)c1	PC-id_83913855	277.135	BVKKEPMSXQFSOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041691
Brc1sc2C(O)(CCc2c1)CC(=O)O	PC-id_83913854	277.135	XOXCSPRGJFRRGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041692
c1(C(=O)OCC)c2COCc2sc1Br	EMOLS-id_331062063,MCULE-8084415950	277.135	JDPPEOLMNMQHLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041693
OC(=O)c1c(Br)sc2c1C(C)(C)OC2	EMOLS-id_262207532	277.135	SHVMOHOLHNEMTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041694
Brc1sc2NC(Cc2n1)C(=O)OCC	SCHEMBL3177574,PC-id_68539140	277.138	CAZFQBVIQCMIKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041695
CC(=O)CN1C2=C(CCC2)C(=N1)C(=O)N3CC[C@H](C3)O	PC-id_153600525	277.143	YIZDRSPEFMLNME-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041696
CN(CCC1=C2CCCN2N=C1C=O)C(=C)C(=O)OC	PC-id_155122537	277.143	BYUIXGFJAJSSEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041697
s1c2C(F)(F)C(F)(F)C(F)(F)c2cc1[N+](=O)[O-]	PC-id_13539392	277.144	HWZAYLXDCWYQSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041698
C[C@@H]1C(CC2=C1N(N=C2C#N)CC3=CC=CC=C3)CC=C	PC-id_154540533	277.158	WVCLUTVCRSDZJX-AFYYWNPRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041699
Brc1c2CCCc2nn1Cc1ccccc1	MCULE-3761038434,EMOLS-id_178071739	277.16	YXCLBWBMAYUAAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041700
Brc1ccccc1Cc1n[nH]c2c1CCC2	PC-id_101219135	277.16	VSXAIDLNULXIIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041701
Brc1ccc(Cc2n[nH]c3CCCc23)cc1	EMOLS-id_337932568	277.16	HRMFPFVBFDETJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041702
Brc1cccc(Cc2n[nH]c3CCCc23)c1	EMOLS-id_337934872	277.16	LQEJPROJXCSAMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041703
C1CCC(CC1)COC(=O)NCC2=NNC3=C2CCC3	MCULE-8997281981,EMOLS-id_317732040,PC-id_154785464	277.179	NRHLSQFHLPIJII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041704
C1CC[C@@H]([C@@H](C1)CCNC(=O)C2=CN=C3N2CCC3)O	PC-id_164630098	277.179	APLKCVRKVRDNMJ-AAEUAGOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041705
CC1(C)N(Cc2c(n[nH]c12)C(=O)O)C(=O)C(F)(F)F	EMOLS-id_331225638	277.2	PGSMNSZELWIYNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041706
O=C(c1cc2n(n1)CCO2)N1CC(C1)(O)C(F)(F)F	EMOLS-id_318775245	277.2	LYRCKJQIRZFOKU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-041707
OC(=O)c1c(CNC(=O)C(F)(F)F)nn2CCCc12	EMOLS-id_331224358	277.2	IUNXYRQAMJBZBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041708
C[C@@H](C1=NN2CCCC2=C1)NCC3(CCCCCC3)O	PC-id_164631359	277.215	SOQYYFCCAKQVAR-ZDUSSCGKSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041709
O=C(c1occ2c1CCC2)N1CC(C(C1)(F)F)(F)F	EMOLS-id_102907401	277.215	YXXWVQHCPZUNNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041710
O=C(c1cn2c(n1)CCC2)N1CC(C(C1)(F)F)(F)F	EMOLS-id_102944434	277.218	XHAUWICGBHSLOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041711
O=C(c1nn2c(c1)CCC2)N1CC(C(C1)(F)F)(F)F	EMOLS-id_102908572	277.218	XITFUIMWAPNGFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041712
O=C(c1n[nH]c2c1CCC2)N1CC(C(C1)(F)F)(F)F	EMOLS-id_102815584	277.218	LUXXSHPOXSOWSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041713
FC(F)(F)c1cc(C=C2Cn3c(C2=O)ccc3)ccc1	MCULE-3674661641,EMOLS-id_26233105,PC-id_72057148	277.241	IJYLVNPEFBXOIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041714
O=C1/C(=Cc2cccc(c2)C(F)(F)F)/Cn2c1ccc2	CoCoCo_4588821	277.241	IJYLVNPEFBXOIO-XFFZJAGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041715
O=C1/C(=C/c2cccc(C(F)(F)F)c2)/Cn2cccc12	ZINC22_25060427,CoCoCo_4588820,PC-id_24243753	277.241	IJYLVNPEFBXOIO-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041716
c12CN(Cc1nn(CC)c2C(=O)OC)CC(F)(F)F	EMOLS-id_324345706,MCULE-7924066266	277.243	YBJVLIGIZXEXBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041717
c12CN(Cc1nn(CCC)c2C(=O)O)CC(F)(F)F	EMOLS-id_324342887,MCULE-1193166788	277.243	PFONTIGTRKZOQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041718
CCC(C1CC(c2nc(nn12)C(=O)OCC)F)(F)F	SCHEMBL20641114,PC-id_137408331	277.243	PMFGDQLIMWNHIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041719
CCC([C@@H]1C[C@@H](c2nc(nn12)C(=O)OCC)F)(F)F	PC-id_137408333,SCHEMBL20641116	277.243	PMFGDQLIMWNHIR-BQBZGAKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041720
CC(C)(C)OC(=O)N1Cc2[nH]nc(c2C1)C(F)(F)F	PC-id_134714775,EMOLS-id_316171361,MCULE-3109707316	277.243	YRDZWHJEJJKCHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041721
CCOC(=O)c1nc2n(n1)[C@@H](C[C@H]2F)C(CC)(F)F	SCHEMBL20854977,PC-id_138504553	277.243	PMFGDQLIMWNHIR-RQJHMYQMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041722
Cn1nc2c(c1NC(=O)COCC(F)(F)F)CCC2	ZINC22_65855888,EMOLS-id_48746877,PC-id_75418066,MCULE-7407564770	277.243	YMYPVSJDNGBLJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041723
FC(F)(F)c1[nH]c2CN(Cc2n1)C(=O)OC(C)(C)C	SCHEMBL3623314,PC-id_68717761	277.243	CVRBJOJTVBOHHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041724
FC(F)(F)C(=O)OC(Cn1nc2c(CNC2)c1)(C)C	SCHEMBL9899820,PC-id_67957880	277.243	XKRAWPIUEMJWTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041725
OCC(C(F)(F)F)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_320220205,MCULE-8774393976	277.243	LMIXICJSTDADKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041726
O=C(N1Cc2c(C1)c(n(n2)C)N)N[C@H](C(F)(F)F)C	EMOLS-id_319468018	277.246	XRTYOLZLGPTBKB-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041727
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)COS(=O)(=O)C	PC-id_23081519,SCHEMBL5536684	277.254	NDZJCFFDADOPRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041728
Fc1c(CC2CCc3[nH]c(cc23)C(=O)O)ccc(F)c1	PC-id_59180223,SCHEMBL1005384	277.266	QMSZKTFRAMIYFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041729
Fc1cc(CC2CCc3[nH]c(cc23)C(=O)O)ccc1F	SCHEMBL1004613,PC-id_59180139	277.266	DBTBBRRXBXBQDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041730
OC(=O)C1Cn2c(C1)ccc2C(c1ccccc1)(F)F	PC-id_102129186	277.266	RLWBDXALNQNNJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041731
c1(C(=O)Nc2c(cccc2F)F)c2CCCc2n(C)n1	MCULE-5284181000,PC-id_110389152,EMOLS-id_179745520	277.269	UWLNCZXSLUEYFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041732
S1c2n(nc(n2)COc2c(OC)cccc2)C(=O)C1	PC-id_82357963	277.299	VVJSRWZXTXOIHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041777
c1(C(=O)Nc2ccc(cc2F)F)c2CCCc2n(C)n1	MCULE-5320773525,PC-id_110389134,EMOLS-id_179745466	277.269	OOKRYCUDAHOMDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041733
c1(C(=O)Nc2ccc(c(F)c2)F)c2CCCc2n(C)n1	MCULE-1477487896,PC-id_110389153,EMOLS-id_179745523	277.269	OOOSYIRDAUKOFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041734
Fc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_319533285	277.269	IWYPZELFIBNFQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041735
Fc1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1F	PC-id_45536813	277.269	FXEGTRVPHDQTDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041736
Fc1c(C(=O)Nc2n(nc3c2CCC3)C)ccc(F)c1	PC-id_45536824	277.269	YJJFXCCHIFCICO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041737
FC(c1ccccc1C(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_319500846	277.269	MXUOBGGJFYTACR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041738
O=C(c1ccccc1C(F)F)NC1CCn2c1ncc2	MCULE-3222101200,EMOLS-id_319890979	277.269	AHNWGPKYMQGIFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041739
O=C(c1cccc(c1F)F)NCc1cnc2n1CCC2	EMOLS-id_317935977	277.269	BASCGWQKQFPZKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041740
O=C(c1ccc(c(c1)F)F)NCc1cnc2n1CCC2	EMOLS-id_318936733	277.269	OPWAMBJKHKAFDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041741
O=C(c1ccc(c(c1)F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319043957	277.269	TZDUWNAELDGVFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041742
O=C(c1c(F)cccc1F)NCc1cnc2n1CCC2	EMOLS-id_318811560	277.269	KAMUDQYKHKXBJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041743
O=C(c1c(F)cccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319049565	277.269	HXSTYJADHDVEKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041744
O=C(N1CCn2c1ccn2)c1cccc(c1)C(F)(F)C	EMOLS-id_319148508	277.269	BEGPKBKZAMBOEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041745
CCOC(=O)c1c(C)c2C=C(C(=O)OC)C(=O)n2c1C	PC-id_261888,NSC94956,CoCoCo_5411289,LI_126996	277.273	IDBUGLCEDVXKEK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-041746
C1COc2cc(nn12)C(=O)NCCC(c1ccco1)O	PC-id_91959804	277.276	HBTRFZOTRDFKDZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-041747
Cc1onc(n1)C(NC(=O)c1nn2c(c1)OCC2)(C)C	EMOLS-id_99748393	277.279	ODWAKDDMGOVBOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041748
CCc1noc(COCC(=O)N2CCn3nccc23)n1	EMOLS-id_316303755,ZINC22_935882343,MCULE-5186329635	277.279	KEIBSIJBTWEHFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041749
Cn1cc(c(n1)C(NC(=O)c1nn2c(c1)OCC2)C)O	EMOLS-id_319363482	277.279	NASZAKAPWGNVDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041750
Cn1nc2c(c1NC(=O)C[C@H]1NC(=O)NC1=O)CCC2	PC-id_94216284,ZINC22_49425642	277.279	JIHSMEOOXVGLAI-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041751
Cn1nc2c(c1NC(=O)C[C@@H]1NC(=O)NC1=O)CCC2	ZINC22_49425644,PC-id_94216285	277.279	JIHSMEOOXVGLAI-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041752
N1C(=O)C(NC1=O)CC(=O)NCc1c2CCCc2[nH]n1	MCULE-3677106566,EMOLS-id_49887415,PC-id_77090611	277.279	KWOHIMVKIDTOBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041753
o1c(CNC(c2n3CCCc3nn2)C)ccc1[N+](=O)[O-]	PC-id_43791495	277.279	ZDMKAUHQYBVGCL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-041754
O=C(c1cc2n(n1)CCO2)NC(c1onc(n1)C)(C)C	EMOLS-id_99777711	277.279	BQQPMUUYXYYWDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041755
O=C(c1nn2c(c1)OCC2)N1CCOC(C1)C1(C)N=N1	EMOLS-id_318879177	277.279	DXXXNIALQZJKTQ-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-041756
O=C(C[C@H]1NC(=O)NC1=O)NCc1n[nH]c2c1CCC2	PC-id_99940251	277.279	KWOHIMVKIDTOBY-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041757
O=C(C[C@@H]1NC(=O)NC1=O)NCc1n[nH]c2c1CCC2	PC-id_99940252	277.279	KWOHIMVKIDTOBY-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041758
O=C(Nc1n(C)nc2c1CCC2)CC1NC(=O)NC1=O	PC-id_47462313,EMOLS-id_49329691,MCULE-9977464139	277.279	JIHSMEOOXVGLAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041759
OCCCN(CC(F)(F)F)Cc1cnc2n1CCC2	EMOLS-id_318370128	277.286	STVCYXWGHCNROI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041760
FC(COCCc1nc2c(s1)CCC2C(=O)O)F	PC-id_113780640	277.288	WQINJIOKVNALBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041761
FC1(F)CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100207144	277.291	ZPGXIBYFNASTNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041762
N#Cc1ccc(c(c1F)F)Nc1sc2c(n1)CCC2	PC-id_107933545	277.292	UFQMSJSRPMFILG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041763
s1c2CCCc2nc1Nc1c(F)cc(cc1F)C#N	PC-id_81282967	277.292	VOQGCBLEAGUXIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041764
O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccco1	EMOLS-id_2861793,MCULE-2511386549,CHEMBL1461937,ZINC22_38149,PC-id_675359,CoCoCo_3691108	277.296	QEJWSZQBVQQCHL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041765
s1c2c(CCC2)c(c1NC(=O)c1ccoc1)C(=O)O	PC-id_43328024	277.296	RCQALSYUZJHRHJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041766
FCCn1ncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318827772	277.297	OMHGBSHXGBLFAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041767
FCCn1ncc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318919112	277.297	UXVUROJACWALMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041768
COC(=O)c1sccc1C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319876187	277.299	HSXPDKUJQVKECX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041769
COC(=O)c1sccc1C(=O)N1CCn2c1ccn2	EMOLS-id_319726561	277.299	OULHJWODKZTVII-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041770
O=C(N1Cc2c(C1)c(n[nH]2)C(=O)O)Cc1cccs1	SCHEMBL4943590,PC-id_69250579	277.299	YDGLCJGYRBXDTG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041771
s1c2CCCc2cc1C(=O)Nc1n[nH]c(c1)C(=O)O	PC-id_64528636	277.299	LPFCYHCNOAAIRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041772
s1c2c(CCC2)c(c1NC(=O)c1c[nH]nc1)C(=O)O	PC-id_43565634	277.299	UINDMAUEVUEZRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041773
s1c2c(CCC2)c(c1NC(=O)c1[nH]cnc1)C(=O)O	PC-id_65939336	277.299	VUXFTDUFIAYJTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041774
s1c2c(CCC2)c(c1NC(=O)c1[nH]ncc1)C(=O)O	PC-id_43359888	277.299	XZMXQUGYPWQOBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041775
S1c2n(nc(n2)COc2cc(OC)ccc2)C(=O)C1	PC-id_82357965	277.299	LAICKIJAFAPNLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041776
S1Cc2c(noc2NC(=O)c2c(OC)nccc2)C1	PC-id_45505354	277.299	YLXABYLGLFYQCY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041778
S1Cc2c(noc2NC(=O)COc2cccnc2)C1	PC-id_49720045	277.299	QZJNLZZVXYJPLR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041779
S(CC1Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccccc1	PC-id_11380385	277.299	MNWVAGVGPZQVHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041780
CN(C)c1nc(NCc2nnc3CCCn23)ncc1F	MCULE-9483247241,EMOLS-id_317332081,ZINC22_1704308970,PC-id_135105424	277.301	UHWWLXFKTXNRJL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041781
C[n+]1cn(cc1)CCNc1c(c(=O)n2n1CCC2)N=O	PC-id_89160364,SCHEMBL13746408	277.302	MHAGWYMZBKDSPW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-041782
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccs1	SCHEMBL2917786,PC-id_68440428	277.302	IHFLIPTXLLGWFA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041783
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cscc1	PC-id_68439117,SCHEMBL2914209	277.302	PBCZXJUPJPTTGV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041784
s1c2CCCc2nc1Nc1nc(N)c([N+](=O)[O-])cc1	PC-id_81573617	277.302	ZSFHLPGNWGBXDH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-041785
s1c(NC(=O)c2n3CCCc3nn2)c(cc1)C(=O)N	PC-id_44007012	277.302	QULLMMFEGUBEQH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041786
CC1CCc2c1c(CN)nn2Cc1cccc(F)c1F	EMOLS-id_331012092,MCULE-7441140672	277.312	UJVBRDIKKRQESD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041787
CC1CCc2c1c(CN)nn2Cc1ccc(F)cc1F	EMOLS-id_331010300,MCULE-7917866148	277.312	ZCMWPOSCOMLPTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041788
CC1CCc2c1c(CN)nn2Cc1ccc(F)c(F)c1	EMOLS-id_331014139,MCULE-7408038904	277.312	YZVRFOQMMFXAFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041789
CC1CCc2c1c(CN)nn2Cc1cc(F)ccc1F	MCULE-6379249465,EMOLS-id_331012604	277.312	VHQRAVNEPDDKMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041790
CC1CCc2c1c(CN)nn2Cc1cc(F)cc(F)c1	EMOLS-id_331010557,MCULE-8742188106	277.312	SXRVXACABQXDLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041791
CC1CCc2c1c(CN)nn2Cc1c(F)cccc1F	EMOLS-id_331012348,MCULE-5699439398	277.312	ZFYRAQICPJIPOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041792
CC1CCc2c1c(N)nn2Cc1c(C)cc(F)cc1F	EMOLS-id_330963963,MCULE-8712673508	277.312	QFYGDBACQALREJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041793
CC1CCc2c1c(N)nn2Cc1ccc(F)c(F)c1C	MCULE-1668963052,EMOLS-id_330963707	277.312	POUDRKNGQPLUOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041794
CC1CCc2c1c(N)nn2Cc1cc(F)cc(F)c1C	EMOLS-id_330963451,MCULE-3385548643	277.312	BLDQFOZRDFZLHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041795
CC1CC(c2n1ccn2)NCC(c1ccccc1)(F)F	MCULE-2156829666,EMOLS-id_318289929	277.312	LNLFMKFJJQMCHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041796
CC1CCc2nn(Cc3cccc(F)c3F)c(CN)c12	MCULE-1077141421,EMOLS-id_330993847	277.312	IBQXZSUUQZMDKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041797
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(N)c12	MCULE-3917342876,EMOLS-id_331013032	277.312	IJDMAEPKMRXGKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041798
CC1CCc2nn(Cc3ccc(F)cc3F)c(CN)c12	MCULE-5213050193,EMOLS-id_330996150	277.312	VYBKDIIKLLUDFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041799
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(CN)c12	EMOLS-id_330995894,MCULE-5932191796	277.312	KJMXCGMTUKMXAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041800
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(N)c12	EMOLS-id_331012776,MCULE-9991830663	277.312	BPBUOGMRQOOXGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041801
CC1CCc2nn(Cc3cc(F)ccc3F)c(CN)c12	EMOLS-id_330994359,MCULE-4367729305	277.312	SFGYOQZKFPUWMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041802
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(CN)c12	EMOLS-id_330996407,MCULE-6061813355	277.312	LQPYXAHSMIKGAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041803
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(N)c12	MCULE-5946402982,EMOLS-id_331012520	277.312	WVEGXRDWMQCHQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041804
CC1CCc2nn(Cc3c(F)cccc3F)c(CN)c12	MCULE-3656281067,EMOLS-id_330994103	277.312	NMXFMRLYKXHAQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041805
CC(c1cc2n(n1)CCC2)NCc1ccc(c(c1)F)F	EMOLS-id_318370115,MCULE-6299318138	277.312	QNJDCTQDUAAZPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041806
CC(c1ccc(cc1)CNC1CCn2c1ncc2)(F)F	MCULE-4414197403,EMOLS-id_318126589	277.312	SZODQIYFIAJPJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041807
CC(c1ccc(c(c1)F)F)NC1CC(n2c1ncc2)C	EMOLS-id_317927353,MCULE-3496980034	277.312	RAJKYSNCCDLXRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041808
CC(c1cccc(c1F)F)NC1CC(n2c1ncc2)C	MCULE-5544834002,EMOLS-id_318159957	277.312	HXXDXPRODYLVNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041809
CC(c1ccc(c(c1)F)F)NCc1cc2n(n1)CCC2	MCULE-9591029374,EMOLS-id_318146571	277.312	DIPWOCBZUCDEKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041810
CC(c1cccc(c1F)F)NCc1cnc2n1CCC2	MCULE-5817654994,EMOLS-id_318189911	277.312	PLCRRLBBOKLANN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041811
CC(c1ccc(c(c1)F)F)NCc1cnc2n1CCC2	MCULE-8641152036,EMOLS-id_317919646	277.312	PRYZVBQFMDUKTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041812
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1N	EMOLS-id_331010222,MCULE-6891243601	277.312	BDXJNYWRLFHIPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041813
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1N	EMOLS-id_331013547,MCULE-6650243235	277.312	GNWCOJXRXCNIBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041814
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1N	MCULE-9798437447,EMOLS-id_331013803	277.312	IYPSYXUBHICVPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041815
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1N	MCULE-2989505231,EMOLS-id_331014061	277.312	MKOLZDYJDDCYGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041816
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1N	EMOLS-id_331013805,MCULE-3846295275	277.312	GFMACVGLVCKWQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041817
CC(c1nn2c(c1)CCC2)NCc1cccc(c1F)F	EMOLS-id_318088784,MCULE-7553230241	277.312	STTIZBXEMZBHLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041818
CCC(c1ccc(cc1F)F)NC1CCn2c1ncc2	MCULE-2400758306,EMOLS-id_318102675	277.312	BQUUYHAIQVOEIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041819
CCC(c1cc(F)ccc1F)NC1CCn2c1ncc2	EMOLS-id_318036001,MCULE-6992863760	277.312	BMCSMJFDCHIKRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041820
Fc1cccc(c1CCNC1CC(n2c1ncc2)C)F	EMOLS-id_318186311,MCULE-6102672051	277.312	ACFIAGQYERRSLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041821
Fc1ccc(c(c1)C(NC1CC(n2c1ncc2)C)C)F	MCULE-6911923449,EMOLS-id_317952655	277.312	IARNHTFMKBPCDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041822
Fc1ccc(c(c1)C(NCc1cnc2n1CCC2)C)F	MCULE-5149296285,EMOLS-id_317974164	277.312	ZHDWZLFZGMVTCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041823
Fc1ccc(c(c1)CNC(c1nn2c(c1)CCC2)C)F	MCULE-7098229177,EMOLS-id_318135440	277.312	RITFWZHRULQKBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041824
Fc1cccc(c1F)CCNC1CC(n2c1ncc2)C	EMOLS-id_318200847,MCULE-6050497475	277.312	USWDFWQWPKRKMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041825
Fc1ccc(c(c1)F)CCNC1CC(n2c1ncc2)C	MCULE-1579681583,EMOLS-id_318204376	277.312	OREZRDITLRVVKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041826
Fc1ccc(cc1F)CCNC1CC(n2c1ncc2)C	MCULE-1883999247,EMOLS-id_318010519	277.312	CJFOVOVVBOEFOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041827
Fc1ccc(c(c1)F)[C@@H](NC1CC(n2c1ncc2)C)C	EMOLS-id_318252858	277.312	DRKXMDVZXROZLD-XIRUVYRFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041828
Fc1ccc(c(c1)F)[C@H](NC1CC(n2c1ncc2)C)C	EMOLS-id_318362938	277.312	DRKXMDVZXROZLD-OPASDULOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041829
Fc1ccc(c(c1)F)[C@H](NCc1cnc2n1CCC2)C	EMOLS-id_318184092,MCULE-9756812480	277.312	XBLIKAUFAKYNFU-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041830
Fc1ccc(c(c1)F)[C@@H](NCc1cnc2n1CCC2)C	MCULE-6352662473,EMOLS-id_318176867	277.312	XBLIKAUFAKYNFU-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-041831
Fc1ccc(c(c1)F)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_317978539,MCULE-6180584408	277.312	DRKXMDVZXROZLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041832
Fc1cc(cc(c1)F)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318013081,MCULE-4184236494	277.312	IEGRBOUUCHAHLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041833
Fc1ccc(c(c1)F)C(NCc1cnc2n1CCC2)C	MCULE-4722486020,EMOLS-id_317919390	277.312	XBLIKAUFAKYNFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041834
Fc1ccc(c(c1)F)C(NCc1nn2c(c1)CCC2)C	MCULE-3268567697,EMOLS-id_318342887	277.312	GOKIYFXUEHTZJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041835
Fc1ccc(c(c1)F)CNC(c1nn2c(c1)CCC2)C	MCULE-8361231797,EMOLS-id_318373444	277.312	MVHCSWVSUJIXQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041836
Fc1cc(CCNC2CC(n3c2ncc3)C)cc(c1)F	EMOLS-id_317924224,MCULE-7361804246	277.312	ZCUPCWRQLWMQLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041837
FC(c1ccc(cc1)CNC1CC(n2c1ncc2)C)F	EMOLS-id_318324543,MCULE-7824272606	277.312	ABAXOOXLMFTHGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041838
OC(=O)C1CCc2c1nc(s2)Cc1ccccc1F	PC-id_104287227	277.314	VLGXRQZOPNPXFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041839
OC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1)F	PC-id_104287354	277.314	BZDNOKJKVDPRMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041840
OC(=O)C1CCc2c1nc(s2)Cc1cccc(c1)F	PC-id_113395616	277.314	KMGBZVQOMGYNJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041841
s1c2CCCc2cc1C(=O)Nc1cc(F)c(O)cc1	PC-id_64780880	277.314	NJDLPFCSIAMSAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041842
s1c2CCCc2cc1C(=O)Nc1c(F)cc(O)cc1	PC-id_64788444	277.314	IDRBUSBSUSTUBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041843
O=C(c1occ2c1CCC2)N(C1CC1)[C@@H]1COC[C@H]1O	ZINC22_1875396656,MCULE-4083980556,MCULE-7962151028,PC-id_146101913,EMOLS-id_320228725	277.316	QFNSGDHVIHNIPR-CHWSQXEVSA-N	00100010100000000000000010000000000000000000000000000000	25-01-041845
c1(NC(=O)c2ccccc2F)n(C)nc2CSCc12	EMOLS-id_334567090,MCULE-9698434703	277.317	JYTDMNQVOZEFGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041846
c1(NC(=O)c2ccc(cc2)F)n(C)nc2CSCc12	MCULE-6899939469,EMOLS-id_334562740	277.317	RDYHFARQJLXQOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041847
c1(NC(=O)c2cccc(F)c2)n(C)nc2CSCc12	MCULE-5172621915,EMOLS-id_334566578	277.317	RRHHBFLUXLSHJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041848
s1c2CCCc2nc1NC(=O)c1cc(F)c(N)cc1	PC-id_62682795	277.317	MJWLFUWAVHLIDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041849
s1c2CCCc2nc1NC(=O)c1cc(N)ccc1F	PC-id_61507611	277.317	BLHJLKGJRMDWQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041850
s1c2CCCc2nc1NC(=O)c1cc(N)cc(F)c1	PC-id_81550704	277.317	QJIDTNBESVLPST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041851
s1c2CCCc2nc1NC(=O)c1cc(N)c(F)cc1	PC-id_61507572	277.317	FEZRTMAHEMNLRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041852
s1c2CCCc2nc1NC(=O)c1c(F)cc(N)cc1	PC-id_61705170	277.317	ZDUIUERMDGHGGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041853
s1c2CCCc2nc1NC(=O)c1c(N)ccc(F)c1	PC-id_61507696	277.317	BMZKVGAGINGNMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041854
s1c2CCCc2nc1NC(=O)c1c(N)cc(F)cc1	PC-id_55137823	277.317	NQLLYBVRLIIYAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041855
s1c2CCCc2nc1NC(=O)c1c(N)c(F)ccc1	PC-id_62662113	277.317	RITFMTNZLZJNLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041856
s1c2CNCc2nc1NC(=O)Cc1ccc(F)cc1	PC-id_82194022	277.317	FZYWOQCCIIRZHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041857
s1c2CN(Cc2nc1N)C(=O)Cc1ccc(F)cc1	PC-id_82194135	277.317	QLFUDHMHWWOMHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041858
s1c(Nc2ccc(F)cc2)c2CCN(c2c1N=O)C	PC-id_40175042	277.317	NCDJXBPTKCEZIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041859
C1CC(C1)(C1(CC1)CNC(=O)c1nn2CCOc2c1)O	MCULE-3171698380,EMOLS-id_317389832,PC-id_136566879	277.319	XQKWTIQLFIQERI-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-041860
c1(C(=O)N[C@H]2CC[C@@H](CC2)C(=O)O)c2CCCc2[nH]n1	EMOLS-id_337817734,MCULE-7957150604,ZINC22_2356168423	277.319	CNNHTSRKLFVENU-KYZUINATSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041861
c1(C(=O)N[C@H]2CC[C@H](CC2)C(=O)O)c2CCCc2[nH]n1	MCULE-2896000432,EMOLS-id_337827699,ZINC22_2356165522	277.319	CNNHTSRKLFVENU-DTORHVGOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041862
CC1CCCN(C1C(=O)O)C(=O)c1cnn2c1CCC2	EMOLS-id_102138824,MCULE-5251292885	277.319	SFFLHPODYOSZHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041863
CC/C(=C/C)/CN1C(=O)Cn2c1nc(c2C(=O)O)CC	PC-id_142157200	277.319	FPVFFDDPMYFUKK-WTKPLQERSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041864
C[C@@H]1CCCN(C(=O)c2cnn3c2CCC3)[C@H]1C(=O)O	ZINC22_333612516	277.319	SFFLHPODYOSZHD-BXKDBHETSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041865
C[C@H]1CCCN(C(=O)c2cnn3c2CCC3)[C@@H]1C(=O)O	ZINC22_333612519	277.319	SFFLHPODYOSZHD-CABZTGNLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041866
C[C@H]1CCCN(C(=O)c2cnn3c2CCC3)[C@H]1C(=O)O	ZINC22_333612520	277.319	SFFLHPODYOSZHD-JOYOIKCWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041867
C[C@@H]1CCCN(C(=O)c2cnn3c2CCC3)[C@@H]1C(=O)O	ZINC22_333612521	277.319	SFFLHPODYOSZHD-SKDRFNHKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041868
C[C@@H]1CN(C(=O)c2cnn3c2CCC3)CC[C@@H]1C(=O)O	ZINC22_637794934,EMOLS-id_316375006,MCULE-1764352935	277.319	QGCRWHVUUBANPI-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041869
CC(=O)CC1COCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111056431	277.319	VLZYEOVKGQSYMP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041870
COC1C2CCCC2C1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_319589327	277.319	MXDCABOFQRXJDL-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-041871
COC(=O)C1CCN(CC1)C(=O)c1n[nH]c2CCCc12	MCULE-8558922433,PC-id_78880880,EMOLS-id_323256505	277.319	CBKWOGCWDRUJSX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041872
O[C@@H]1COC[C@H]1N(C(=O)c1cn2c(n1)CCC2)C1CC1	EMOLS-id_318848157	277.319	BSQWYIVOGYLULO-VXGBXAGGSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041873
O[C@@H]1COC[C@H]1N(C(=O)c1cnn2c1CCC2)C1CC1	EMOLS-id_319449640	277.319	FBNVALHIHUSYCQ-CHWSQXEVSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041874
O[C@@H]1COC[C@H]1N(C(=O)c1nn2c(c1)CCC2)C1CC1	EMOLS-id_319213412	277.319	LRKCBPLMXKNDLS-CHWSQXEVSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041875
O=C(N1CCCCCC1C(=O)O)c1cc2n(n1)CCC2	PC-id_146133154	277.319	FGYRKUYVWUQQKH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041876
OC(=O)C(CN(C(=O)c1cnn2c1CCC2)C1CC1)C	EMOLS-id_318132926	277.319	WZJVYHHZZYOXJB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041877
O=C(O)[C@H]1CCCCCN1C(=O)c1cc2n(n1)CCC2	ZINC22_910043363	277.319	FGYRKUYVWUQQKH-GFCCVEGCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041878
O=C(O)[C@@H]1CCCCCN1C(=O)c1cc2n(n1)CCC2	ZINC22_910043365	277.319	FGYRKUYVWUQQKH-LBPRGKRZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041879
CC1CCCN(C1)C(=O)N1Cc2c(C1C(=O)N)c[nH]n2	EMOLS-id_320261339,MCULE-6609792657	277.322	JXCWXCWOICQQHZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041880
CCCN1CC(=O)N(C1=O)C(c1nnc2n1CCC2)C	EMOLS-id_100229929	277.322	BPFLQFUBXWRWBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041881
CCC(N1CC(=O)N(C1=O)Cc1nnc2n1CCC2)C	EMOLS-id_98739202	277.322	GPIOTGDFWJZFKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041882
CC(CN1CC(=O)N(C1=O)Cc1nnc2n1CCC2)C	EMOLS-id_98937103	277.322	PHKRMNFXOZPVRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041883
CC(N1CCC(C1=O)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318949728	277.322	LLUIOYVKKCFUTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041884
CCN1CCCN(CC1=O)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319929011,MCULE-7023551864	277.322	HXIJDTXOWDAXPO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-041885
CC(N1CCC(=O)N(C1=O)Cc1nnc2n1CCC2)C	EMOLS-id_319454000	277.322	HBYOWORXJYXCPP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041886
CNC(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102429833	277.322	ILKYYGIGHREHEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041887
CNC(=O)Nc1cc2n(n1)CCN2C(=O)C1CCCC1	PC-id_46184904,SCHEMBL12307460	277.322	ZCELPYHQEMJYTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041888
CNC(=O)NC1CCN(C1)C(=O)c1cnc2n1CCC2	PC-id_146136353	277.322	YNABCOSCUPPMCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041889
CNC(=O)N[C@@H]1CCN(C(=O)c2cnc3n2CCC3)C1	ZINC22_1362529587	277.322	YNABCOSCUPPMCL-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041890
CNC(=O)N[C@H]1CCN(C(=O)c2cnc3n2CCC3)C1	ZINC22_1362529590	277.322	YNABCOSCUPPMCL-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-041891
NC(=O)C1N(Cc2c1c[nH]n2)C(=O)N1CCCCC1C	EMOLS-id_320338961,MCULE-2120017241	277.322	HEFFTJGAZNWNES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041892
NC(=O)C1N(Cc2c1c[nH]n2)C(=O)N(C1CCCC1)C	MCULE-6237304685,EMOLS-id_319897272	277.322	VMVCASMRUYPUAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041893
NC(=O)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110613213	277.322	OETHMLAFJLBRSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041894
O=C1CCC(CN1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_112728821	277.322	NTQBXEGQPIRTGS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041895
O=C1CCC(CN1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_112728858	277.322	WHNMMYCDLAQQIX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041896
O=C1N(C(c2nnc3n2CCC3)C)C(=O)C(N1C)(C)C	EMOLS-id_100229932	277.322	HIPQUPFYALTHFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041897
O=C1N(CCC1)CC(=O)NC(c1n2CCCc2nn1)C	EMOLS-id_36268864,PC-id_53521042,MCULE-8374814755	277.322	WOWHPECJEHRFHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041898
O=C1N(CC(C1)C(=O)NCCc1n2CCCc2nn1)C	PC-id_60445439	277.322	QFVPSCVEKVIXCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041899
O=C(CN1CCCNC1=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319533760	277.322	RBCIKKXZEIFLRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041900
O=C(CN1CCNC(=O)C1)NCc1cnc2n1CCC2	EMOLS-id_319608754	277.322	RDPDYJPNXGDTFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041901
OCCOCc1n[nH]c2c1CN(C2)Cc1cnn(c1)C	PC-id_97406022	277.322	FOQNEBQYJBCSKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041902
O=C(NC1CC(n2c1ncc2)C)CN1CCNC(=O)C1	MCULE-2639729854,EMOLS-id_258094590	277.322	TVAZTXYMKFWESN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041903
O=C(NC1CCn2c1ncc2)CNC(=O)N1CCCC1	EMOLS-id_278833735	277.322	HODFBSJEKOQIRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041904
N#Cc1c(NC(=O)c2cscn2)nc2n1CCS2	PC-id_72010004,ZINC22_96410988	277.325	VJCDUOFEKJJUSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041905
OCCn1nnc(CNC(c2n3CCCc3nn2)C)c1	PC-id_66270570	277.326	FMDCLMKNVUXFRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041906
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cc(o2)C	PC-id_101097305	277.339	UWCOOZBLSUIRBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-041907
OCC(c1ccco1)NC(=O)c1sc2c(c1)CCC2	PC-id_109945696	277.339	WKCLMUGNZNXRDE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041908
OC(=O)c1ccoc1CNCc1sc2c(c1)CCC2	PC-id_103242930	277.339	NUPXRJGCBIQKST-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041909
OC(=O)c1coc(c1)CNCc1sc2c(c1)CCC2	PC-id_104608755	277.339	QDDVPGQQFCNCHG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041910
OC(=O)c1occc1CNCc1sc2c(c1)CCC2	PC-id_103242929	277.339	NXEFMRJNHWARFD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041911
s1c2c(CCC2)cc1C(N)c1oc(cc1)C(=O)OC	PC-id_81616184	277.339	PNLAYIOIFSGJCK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041912
s1c2c(CCC2)cc1CNCc1oc(cc1)C(=O)O	PC-id_63317474	277.339	AXPKGWUMENJACG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-041913
s1c2c(CCC2)cc1C(=O)NC1CC(C=C1)C(=O)O	PC-id_79209114	277.339	JCZZPFREARUBGN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-041914
s1c2c(CCC2)c(c1NC(=O)C1CC=CC1)C(=O)O	PC-id_64766994	277.339	YBWCEFYMHMGORU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-041915
Cc1ccc(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320176715,MCULE-9822841784	277.342	MGHPLYFCFLCEAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041916
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316616525	277.342	GSCSAYMBMIYFSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041917
Cc1cccc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318365820	277.342	OFZJIZISQPNRJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041918
Cc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	MCULE-5039319680,EMOLS-id_316471207	277.342	WNEJVVVDQQUTDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041919
Cc1c(CC(=O)Nc2sc3c(CCC3)n2)c(C)on1	EMOLS-id_49394519,MCULE-5910717298,STOCK7S-41222,CoCoCo_4164311,ZINC22_9114275,EMOLS-id_11952394,PC-id_17416360	277.342	TZLLJOFBTYOAEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041920
Cc1noc(CCNC(=O)c2cc3c(s2)CCC3)n1	PC-id_53539657,MCULE-4444522634,EMOLS-id_35759585,ZINC22_65475549	277.342	XJZFOZROGWQPJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041921
CCc1ccccc1S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_177323435,MCULE-3220673379	277.342	GUFDADKLLMMLED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041922
CCc1cccc(c1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319656800	277.342	IPUAZUXRMVWZAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041923
CC(c1ncon1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319218608	277.342	POBOWAKJLCITBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041924
CC(=O)NCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-6197197748,EMOLS-id_328032147	277.342	JVZJIBXMRCSFSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041925
Cn1ncc2c1CN(C2)S(=O)(=O)Cc1ccccc1	MCULE-7327344438,EMOLS-id_316461699	277.342	VXTLTLNCTIMHRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041926
COc1ccsc1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318596984	277.342	MOCGFSCLVCGINT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041927
COc1c(nc[nH]c1=O)NCc1cc2c(s1)CCC2	PC-id_136974586	277.342	BMDAKZCVQWXAGJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041928
N1CC(O)CC1C(=O)Nc1sc2CCCc2c1C#N	MCULE-6317571173,EMOLS-id_328005543,PC-id_61259848	277.342	DESFOZUAIUJJCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041929
N#CCCN(c1nc2c(s1)CCC2C(=O)O)C1CC1	PC-id_104288231	277.342	IYMYSMCBYISONN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-041930
OC(c1nc[nH]c1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319683651	277.342	RMJMOGZIEWCOEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041931
O=C(c1ncoc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180228	277.342	XKQTYMUUSCVWAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041932
O=C(c1n[nH]c2c1CCC2)NCC(c1cscc1)O	PC-id_111441656	277.342	DHNHMFGEBAOQOP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041933
O=C(c1ocnc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180330	277.342	XTEMDGGUNLREDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041934
OC(c1scnc1)CNC(=O)c1[nH]c2c(c1)CCC2	MCULE-9483140528,EMOLS-id_319897570	277.342	RHOBQQQYAJEALG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041935
OCC(c1[nH]ccn1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319187556	277.342	HOFVVIFBEWVRME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041936
O=S(=O)(N1CCn2c1ncc2)CCc1ccccc1	EMOLS-id_316726514	277.342	DWSGEEIOTLAQBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-041937
s1c2CCCc2cc1CNC(=O)C1=NNC(=O)CC1	PC-id_61208799	277.342	GVAOFUBISRRFBS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-041938
s1c2c(CCC2)c(c1NC(=O)C1C(N)COC1)C#N	PC-id_66236472	277.342	ZHDUMMDIENLJPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041939
s1c2c(CCC2)c(c1NC(=O)C1(N)CCOC1)C#N	PC-id_64893820	277.342	OXAOJHSWOKHVRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041940
s1c2c(CCC2)c(c1NC(=O)C1NCCOC1)C#N	PC-id_65519874	277.342	QFHASTKCYDNBCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041941
s1c2c(CCC2)c(c1NC(=O)C1OCCNC1)C#N	PC-id_61738730	277.342	ZOAWCNBOVQBUSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041942
s1c2CCCc2nc1NC1C(=O)N(C2CC2)C(=O)C1	PC-id_61508858	277.342	CRRGLTJTPPGZRN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-041943
s1c2CCCc2nc1NC(=O)C1(CCOCC1)C#N	PC-id_61844150	277.342	BEHKVAHNRQOOTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-041944
c12SCCn1cc(Cn1cc(nn1)C1CCOC1)n2	MCULE-1307688116,PC-id_72897355,EMOLS-id_46068283	277.345	ARDAYVNTENQKFZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-041945
c1c([C@@H]2CCOC2)nnn1Cc1cn2c(n1)SCC2	PC-id_97136501,ZINC22_91695307	277.345	ARDAYVNTENQKFZ-SECBINFHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-041946
c1c([C@H]2CCOC2)nnn1Cc1cn2c(n1)SCC2	ZINC22_91695309,PC-id_97136503	277.345	ARDAYVNTENQKFZ-VIFPVBQESA-N	00000010100000000001100010000000000000000000000000000000	25-01-041947
c1(C(=O)Nc2nnc(C(C)C)s2)c2CCCc2[nH]n1	EMOLS-id_323259570,MCULE-6724510321	277.345	XSUXJBYRHCLVSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041948
c1(C(=O)Nc2nnc(CCC)s2)c2CCCc2[nH]n1	MCULE-2932356059,EMOLS-id_323260082	277.345	IYQHPQVYQOOGHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041949
c1(C(=O)NCc2sc(nn2)CC)c2CCCc2[nH]n1	EMOLS-id_49895529,ZINC22_216297256,MCULE-6435260145,PC-id_77095313	277.345	WHJMAUAMYIZBKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041950
c1(C(=O)NCCc2sc3c(CCC3)n2)cn(nn1)C	PC-id_110461969,MCULE-2428820630,EMOLS-id_181142767	277.345	JFIJRLXPMWLSQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041951
c1(C(=O)N(C)Cc2snnc2C)c2CCCc2[nH]n1	EMOLS-id_36466745,PC-id_56723057,ZINC22_67983034,MCULE-2014757547	277.345	LKLWRXPPBBHXKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041952
c1(NC(=O)c2cc(n(C)n2)C)n(C)nc2CSCc12	EMOLS-id_316249181,MCULE-7560213760,ZINC22_1506427209	277.345	XIEWFHRKJSBVQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041953
Cc1csc(NC(=O)N[C@H]2C[C@@H](C)n3ccnc23)n1	ZINC22_333893440	277.345	ZHGAETRHIZDRST-BDAKNGLRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041954
Cc1csc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc23)n1	ZINC22_333893441	277.345	ZHGAETRHIZDRST-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041955
Cc1csc(NC(=O)N[C@H]2C[C@H](C)n3ccnc23)n1	ZINC22_333893442	277.345	ZHGAETRHIZDRST-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041956
Cc1csc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc23)n1	ZINC22_333893443	277.345	ZHGAETRHIZDRST-RKDXNWHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041957
Cc1nc(NCCc2nc3n(c2)CCS3)nc(c1)O	EMOLS-id_319580854	277.345	CMJUCAOCQONMFA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041958
Cc1ncsc1C(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_94866675,ZINC22_60503088	277.345	CVAKXBQRINUBCR-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041959
Cc1ncsc1C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_65621264,PC-id_95160018	277.345	CVAKXBQRINUBCR-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041960
Cc1scc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319725583	277.345	TYNNWIOZKKXQSW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041961
CC(c1nnc2n1CCC2)NC(=O)c1scnc1C	PC-id_53520141,EMOLS-id_35709688,MCULE-9112702311	277.345	CVAKXBQRINUBCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041962
CCc1nnsc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319568593	277.345	MKDYEUITBACFDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041963
CCc1nnsc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318944989	277.345	QHNWIZJXJCGUNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041964
CCCc1cnc(s1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320227720,MCULE-6092563252	277.345	JJEVLPQYSROWBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041965
CCCc1csc(n1)NC(=O)N1CCn2c1ncc2	MCULE-7621824966,EMOLS-id_318442904	277.345	NKRVXMFDWVDMAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041966
C[n+]1ccn(c1)CCCNc1n2CCCn2c(=O)c1N	SCHEMBL13745757,PC-id_89160174	277.345	SEHGTBYHVGBSRG-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-041967
CNc1scc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317917074	277.345	HTFSMFGRAAJVSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041968
CNc1scc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319566446	277.345	ZLINJGIQQWAJTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041969
NCc1scc(n1)C(=O)Nc1n(C)nc2c1CCC2	MCULE-4985157382,EMOLS-id_302173320,PC-id_119822854	277.345	APJGOOIBYMUSLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041970
NCCn1cnc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_107497933	277.345	QPRGWXZDZVBOEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041971
O=C(c1cnnn1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181905	277.345	AGMYUQBGLFAKED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041972
O=C(C1NCc2c1c[nH]n2)Nc1ncc(s1)C(C)C	EMOLS-id_319049074	277.345	ULGGMVBEEVLRIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041973
O=C(C1NCc2c1c[nH]n2)Nc1scc(n1)C(C)C	EMOLS-id_319005571	277.345	CEQBJDHDMBUBPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041974
O=C(C1NCc2c1c[nH]n2)NC(c1ncc(s1)C)C	EMOLS-id_319309194	277.345	XTGMQJQFUUGQFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041975
O=C(C1NCc2c1c[nH]n2)NCc1sc(c(n1)C)C	EMOLS-id_319869023	277.345	IYULLYXJHLDCPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041976
O=C(C1NCc2c1c[nH]n2)N(Cc1scnc1C)C	EMOLS-id_318939692	277.345	YNKRWIOALSQPJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041977
O=C(C1NCc2c1c[nH]n2)NCCc1scc(n1)C	EMOLS-id_318880978	277.345	DTDCXTUTGBHIFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041978
O=C(c1snc(c1N)C)NCc1nn2c(c1)CCC2	EMOLS-id_318981168	277.345	BXTFXRZNOHSTBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041979
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccsc1C	EMOLS-id_319057278	277.345	XKCOZTPHZTXUTN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041980
O=C(NC1CC(n2c1ncc2)C)Nc1ncc(s1)C	EMOLS-id_101389843	277.345	OIIRTLINCORAAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041981
O=C(NC1CC(n2c1ncc2)C)Nc1scc(n1)C	EMOLS-id_101393521	277.345	ZHGAETRHIZDRST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041982
O=C(NC1CCn2c1ncc2)NCCc1nccs1	EMOLS-id_319573917	277.345	SPXKWKJKMGGYIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041983
O=C(Nc1csnc1C)NC1CC(n2c1ncc2)C	MCULE-6050619782,EMOLS-id_320259586	277.345	CAFGJPDTSANWNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041984
O=C(Nc1sc2c(n1)C(CC2)(C)C)Nc1n[nH]cc1	EMOLS-id_102007302	277.345	DQPYJNROPIVCDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041985
O=C(NCc1cccs1)NCc1nnc2n1CCC2	EMOLS-id_257837196,MCULE-6402546100,PC-id_52376188	277.345	CRRMKCUNGCOUCO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041986
s1c2CCCc2cc1CNC(=O)Cn1nc(nc1)N	PC-id_61209496	277.345	NNGUYDCCJAUDOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041987
s1c2CCCc2nc1NC(=O)c1nc([nH]n1)CCC	PC-id_80385849	277.345	AGRVDKCTXRIFAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041988
s1c2CCCc2nc1NC(=O)c1nc([nH]n1)C(C)C	PC-id_80385870	277.345	GIHWPRXTXDWDDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041989
s1c2CCCc2nc1NC(=O)c1n(ncc1N)CC	PC-id_65358855	277.345	WOJHTEDRIZTKOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041990
s1c2CCCc2nc1NC(=O)c1n(nc(c1N)C)C	PC-id_66123612	277.345	DJYZPKTZZPRHRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041991
s1c2CCCc2nc1NC(=O)c1nn(CC)cc1N	PC-id_65357779	277.345	HHGACKUMEYFBSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041992
s1c2CCCc2nc1NC(=O)c1n[nH]c(c1N)CC	PC-id_55033859	277.345	KQMZKUMFUYEEPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041993
S1CCn2c1nc(c2)CNc1nc(OCC)ccn1	PC-id_50970684	277.345	XEFLJRGQZPEHCF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-041994
s1c(C(=O)N(Cc2n3CCCc3nn2)C)c(N)cc1	PC-id_61108219	277.345	MZEUSUISHJXZOJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-041995
s1c(C(=O)NCc2n3CCCc3nn2)c(nc1C)C	PC-id_52024829	277.345	BJVJCPRCKUZYBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-041996
CC1CC(c2c1c(CNCC(F)(F)F)cs2)(C)C	PC-id_113861879	277.349	QMIMQULTPDUGII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041997
CCNC(c1sc2c(c1)CCC2)CCC(F)(F)F	PC-id_104992934	277.349	KMNDWSALGWAHQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041998
CNC(c1sc2c(c1)CCC2)CCCC(F)(F)F	PC-id_105023814	277.349	OWKXSTRSQJXSLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-041999
COc1cccc(c1F)C(c1sc2c(c1)CCC2)N	PC-id_105024849	277.357	CKIIKJOWGVBYKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042000
Fc1ccc(c(c1)CNCc1sc2c(c1)CCC2)O	PC-id_103948628	277.357	JWFDHQIGYSALNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042001
Fc1cc(CNCc2sc3c(c2)CCC3)ccc1O	PC-id_107685696	277.357	HYRUNBFNKIBBAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042002
Oc1cc(CNCc2sc3c(c2)CCC3)cc(c1)F	PC-id_116448745	277.357	DUAHSFZSWZMUBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042003
Oc1c(CNCc2sc3c(c2)CCC3)cccc1F	PC-id_112606650	277.357	ADFDEAUYROUCAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042004
s1c2c(CCC2)cc1C(N)c1cc(F)c(OC)cc1	PC-id_43474190	277.357	HUDFOLDTWICBSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042005
s1c2c(CCC2)cc1C(N)c1c(F)cc(OC)cc1	PC-id_43561272	277.357	OHQLHCRKGUXHHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042006
s1c2c(CCC2)cc1C(N)c1c(OC)ccc(F)c1	PC-id_43464534	277.357	UWFPMEZQOJMWRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042007
CCC(C1CCCCN1C(=O)c1occ2c1CCC2)O	EMOLS-id_316571779	277.359	UOEXRKOSGDWXMJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042008
CCCCCCCCN1C(=O)c2c(C1=O)c(oc2C)C	SCHEMBL16623379,PC-id_117998384	277.359	YCQDWKYCRRMVGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042009
O1CCC(CC1)N1CC[C@H](C1)OC1CCc2c1occ2	PC-id_71192953,SCHEMBL14528975	277.359	FLCOZYUQWRGCPI-GICMACPYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-042010
O(C1CN(C2CCOCC2)CC1)C1CCc2c1occ2	PC-id_78025853	277.359	FLCOZYUQWRGCPI-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-042011
CCc1ncnc(c1F)NCc1sc2c(c1)CCC2	PC-id_103880001	277.36	PVVLIJHIFLCDCN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042012
Fc1cncc(c1)[C@@H](NCc1sc2c(n1)CCC2)C	MCULE-4624135712,EMOLS-id_318341710	277.36	GCCUFMYZWOKYHU-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-042013
Fc1cncc(c1)C(NCc1sc2c(n1)CCC2)C	EMOLS-id_318122449,MCULE-2609972710	277.36	GCCUFMYZWOKYHU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042014
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@](O)(C(C)C)C1)C	ZINC22_91713479,EMOLS-id_44728610,PC-id_70754900,MCULE-7711978458	277.362	AJBNVXQWOWPARG-MEBBXXQBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042015
c1(CN(C)C(=O)C2(CCC2)COC)[nH]nc2CCCc12	PC-id_50955774,MCULE-1395129398,EMOLS-id_32382636,ZINC22_67674395	277.362	QMYJVCPIDWEXTD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042016
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1CCCOC1	MCULE-6282663750,EMOLS-id_331019705	277.362	SQEYYGLQUCLHAQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042017
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1CCOCC1	MCULE-2708530813,EMOLS-id_331019193	277.362	DJTCTYITKWJDJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042018
c1(C(=O)NCC)c2COCc2nn1CC1CCCCC1	EMOLS-id_324401499,MCULE-5651777752	277.362	VEZMGBQNTOOFAX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042019
c1(C(=O)OC(C)(C)C)c2CNCc2nn1CC1CCC1	EMOLS-id_324346210,MCULE-6146652420	277.362	XSZZWWRMMSYNNM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042020
CC1CCC(CC1)(O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319198393	277.362	QZQXIPYYHQDOGL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042021
s1c2c(CCC2)cc1CNCCCCCCCCCC	PC-id_63492910	293.51	YKSUNFFWFPDAGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054394
CC1(C)CCC[C@H](CNC(=O)c2cc3n(n2)CCC3)O1	ZINC22_890123884	277.362	PGHXAJZCTZRWNS-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042022
CC1(C)CCC[C@@H](CNC(=O)c2cc3n(n2)CCC3)O1	ZINC22_890123885	277.362	PGHXAJZCTZRWNS-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042023
CC1(CCCC(O1)CNC(=O)c1cnc2n1CCC2)C	PC-id_136567683	277.362	HWDQLLFOOZPJBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042024
CC1(CCCC(O1)CNC(=O)c1nn2CCCc2c1)C	EMOLS-id_316985031,PC-id_136567686,MCULE-8207583795	277.362	PGHXAJZCTZRWNS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042025
CC1OC(C(C1C)C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-7268233754,EMOLS-id_319989257	277.362	NEWOXYTUVCNDCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042026
CC1OCCC(C1)CCNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99348847	277.362	VXTCXEOBUMGKDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042027
CC(C1(CCN(C1)Cc1nn2c(c1)CCC2)C(=O)O)C	MCULE-2615793629,EMOLS-id_258060146	277.362	WFZGBAXNAJBTDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042028
CCC1(CO)CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_109908229	277.362	WWZIDPJDMNXPNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042029
CCC1OCCC(C1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320173361,MCULE-3237090699	277.362	SUTAPJZPBSCLED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042030
CCC1OCCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318777173	277.362	RDZFWHBJAYEDKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042031
CCC(C1CCCCN1C(=O)c1cn2c(n1)CCC2)O	MCULE-3129998618,EMOLS-id_320122564	277.362	OGLDJZFNGBLURU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042032
CCC(C1CCOCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_101213056	277.362	MOAYJKRFSNAIEP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042033
CCC(C1CCOCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101213050	277.362	XCVATLWLKGAFIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042034
CCC(C1(O)CCCCC1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319511165	277.362	PADXBTLHOCYRBB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042035
CCC(C1(O)CCCCC1)C(=O)N1CCn2c1ccn2	EMOLS-id_318790248	277.362	AWEZYEYZEHHSSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042036
CC(C)[C@@]1(O)CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C	ZINC22_216340936	277.362	AJBNVXQWOWPARG-BONVTDFDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042037
CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2	ZINC22_267464413,MCULE-8846728804,EMOLS-id_112035218	277.362	RRRHAQLVGCLFBR-QMTHXVAHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042038
CC(C(=O)NCc1cnc2n1CCC2)OC1CCCC1	EMOLS-id_320007595,MCULE-4462996415	277.362	UIUJAWJWAVOJFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042039
CC(C(=O)NCc1n[nH]c2c1CCC2)OC1CCCC1	EMOLS-id_319088901	277.362	AILHCNOEQSRPPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042040
CCO[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_101505558	277.362	VWDZWPXJFXXXPZ-TZMCWYRMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042041
CCO[C@@H]1CCCC[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101505561	277.362	YUGYXUFVJWHOLE-TZMCWYRMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042042
COC1C(C)C(C1(C)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110789592	277.362	XBVCTKLHZOAUBA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042043
COC1(C)CC(C1(C)C)NC(=O)c1n[nH]c2c1CCC2	PC-id_71985985,MCULE-1524757130,EMOLS-id_49075730	277.362	ODPJPDIXVNTTKC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042044
COC1CCC(CC1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_101214103	277.362	NIRYPPWRMFTMAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042045
COC1CCCCC1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101551334	277.362	LLNBFYFOKDQUIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042046
COC1CCCC(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101551340	277.362	KQNYBIFFKXRQTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042047
COC1CCCC(C1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_100818836	277.362	KHROVGJIYGYWAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042048
COC1CCCC(C1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319305280	277.362	HBSRUGHWMGAYOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042049
COC1CCC(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319547271	277.362	BPWICNQEAUGFTD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042050
COC1CCC(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318797026	277.362	DCVIDGNMUYVNPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042051
COC1CCCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320014089,MCULE-4003992397	277.362	DHJMYASYROPAQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042052
CO[C@]1(C)C[C@H](NC(=O)c2n[nH]c3c2CCC3)C1(C)C	PC-id_95906453,ZINC22_73269111	277.362	ODPJPDIXVNTTKC-XHDPSFHLSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042053
CO[C@@]1(C)C[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1(C)C	PC-id_95906454,ZINC22_73269114	277.362	ODPJPDIXVNTTKC-ABAIWWIYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042054
CO[C@]1(C)C[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1(C)C	ZINC22_73269109,PC-id_95906452	277.362	ODPJPDIXVNTTKC-IAQYHMDHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042055
CO[C@@]1(C)C[C@H](NC(=O)c2n[nH]c3c2CCC3)C1(C)C	ZINC22_73269116,PC-id_95906455	277.362	ODPJPDIXVNTTKC-NHYWBVRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042056
COCC1(CCCC1)C(=O)NC1CC(n2c1ncc2)C	MCULE-4039229506,EMOLS-id_101527299	277.362	RKNRGSMJPDFROQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042057
COCC1CCC(CC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101681660	277.362	ZKVWJFGXRZDYAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042058
COCC1(C(=O)N[C@H]2C[C@@H](C)n3ccnc23)CCCC1	ZINC22_333770402	277.362	RKNRGSMJPDFROQ-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042059
COCC1(C(=O)N[C@@H]2C[C@H](C)n3ccnc23)CCCC1	ZINC22_333770404	277.362	RKNRGSMJPDFROQ-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042060
COCC1(C(=O)N[C@H]2C[C@H](C)n3ccnc23)CCCC1	ZINC22_333770405	277.362	RKNRGSMJPDFROQ-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042061
COCC1(C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)CCCC1	ZINC22_333770406	277.362	RKNRGSMJPDFROQ-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042062
CON(C1CCN(CC1)C(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_320018584,MCULE-3729053429	277.362	YITBICGSZHQSFY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042063
OC1CCCCC1CN(C(=O)c1n[nH]c2c1CCC2)C	PC-id_110003407	277.362	KJVSSRDNVKXMIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042064
s1cc2CN(CCCCCCCCCCCC)Cc2c1	PC-id_86003740	293.51	WXWXFWOGBBBGCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054395
OC1(C(CN(C1)C(=O)c1n[nH]c2c1CCC2)C)C(C)C	PC-id_78081915	277.362	AJBNVXQWOWPARG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042065
OC1CCN(CC(C1)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102892570	277.362	VBXCFBNLTGOHMG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042066
O=C(c1cc2n(n1)CCC2)NCC1(C)CCCCC1O	EMOLS-id_101209779	277.362	DZVJJDITLBITKT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042067
OCC1CCCCCC1NC(=O)c1n[nH]c2c1CCC2	PC-id_112344003	277.362	BWPMVDZVEOPWNT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042068
OCC1CCC(CN1C(=O)c1cn2c(n1)CCC2)(C)C	EMOLS-id_319891936,MCULE-4815780819	277.362	CQKUOKWWLYAUST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042069
OCC1CCC(CN1C(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_319055106	277.362	VLDUDLAVHACNCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042070
OCC1CCC(CN1C(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_320178909,MCULE-3055384031	277.362	ZEBLFPXYNXZMFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042071
O=C(C1CCOC(C1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319574999	277.362	IUCMCNLHYAIMMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042072
O=C(c1cnn2c1CCC2)N1CC(C)(C)OC(C1)(C)C	EMOLS-id_102817181	277.362	QSLDZOKVUGUGOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042073
O=C(c1cnn2c1CCC2)NCC1CCOC(C1)(C)C	EMOLS-id_101507457	277.362	OOXFNDOPBKHWEI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042074
O=C(c1cnn2c1CCC2)NCC1(O)CCCC1(C)C	EMOLS-id_101302659	277.362	UHBCLIWFEOZCSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042075
O=C(c1nn2c(c1)CCC2)N1CC(C)(C)OC(C1)(C)C	EMOLS-id_102795785	277.362	WSQBQJFOCGWIIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042076
O=C(c1nn2c(c1)CCC2)NCC1CCOC(C1)(C)C	EMOLS-id_101507436	277.362	NXWWZCKBMLCPTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042077
O=C(c1nn2c(c1)OCC2)N1CC(C)(C)CC(C1)(C)C	EMOLS-id_102477642	277.362	CJYHPIYIIHPHLC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042078
O=C(c1nn2c(c1)OCC2)NCC1CCCC(C1)(C)C	EMOLS-id_101508276	277.362	YFIDNYBYZWRKBD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042079
O=C(c1n[nH]c2c1CCC2)N1CC(C)(C)OC(C1)(C)C	EMOLS-id_102417725	277.362	YKMKHRMJTPJHTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042080
O=C(c1n[nH]c2c1CCC2)NC1CC(OC1(C)C)(C)C	EMOLS-id_98970379	277.362	YLZWJINQPNEHGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042081
O=C(c1n[nH]c2c1CCC2)NCC1(O)CCCCCC1	PC-id_111433254	277.362	SMINDHVTJIDXBV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042082
O=C(CC1CC(C1(C)C)O)NCc1nn2c(c1)CCC2	EMOLS-id_319318035	277.362	CMBONVFADHTMKK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042083
O=C(CC1CC(C1(C)C)O)NCc1n[nH]c2c1CCC2	MCULE-7973750639,EMOLS-id_320126987	277.362	HGFOUMRPVKTLSC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042084
O=C(C(C1CCCCC1)O)Nc1n(C)nc2c1CCC2	EMOLS-id_97703579	277.362	FJSZTZMTRQPKLO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042085
O=C(C(C1CCOCC1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98048443	277.362	SFLYGPHAGVGHLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042086
O=C(C(C1CCOCC1)C)NCc1cnc2n1CCC2	EMOLS-id_319325463	277.362	CNGYOZWDQMVASJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042087
O=C(CC1OCC(C1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319740057	277.362	XRHYFNPVSMUKCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042088
O=C(CC1(O)CCCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_98164329	277.362	SRRALZIRWSMRAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042089
O=C(CC1(O)CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319177904	277.362	PXVNSXXLKMNCQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042090
O=C([C@@H]1C[C@H]1OC(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319796380	277.362	AYVTVIIUZFEJNF-VXGBXAGGSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042091
O=C(Nc1n(C)nc2c1CCC2)CC1CC(C1(C)C)O	MCULE-8809248299,EMOLS-id_320305930	277.362	PYTGOKPTTZSFNN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042092
O=C(Nc1n(C)nc2c1CCC2)CCC1CCOCC1	EMOLS-id_99759812	277.362	MTWUZCCVMROSCY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042093
O=C(NCc1cnc2n1CCC2)CCC1CCCOC1	EMOLS-id_318903935	277.362	SSLKQQSZUQQAJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042094
O=C(NCc1n[nH]c2c1CCC2)CCC1CCCCO1	EMOLS-id_319602061	277.362	GEABGOCXBWCVOB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042095
O=C(NCc1n[nH]c2c1CCC2)CCC1CCCOC1	EMOLS-id_320060433,MCULE-3021494668	277.362	MMFDPQVXGVEXJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042096
O=C(NCc1n[nH]c2c1CCC2)CCC1CCOCC1	MCULE-8717956544,EMOLS-id_320292144	277.362	VAHJTFQMYNATPL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042097
O=C(NCc1n[nH]c2c1CCC2)COC1CCCCC1	EMOLS-id_320103430,MCULE-2317930154	277.362	QIUBLJFDXTVJNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042098
O=C(NCC[C@H]1CCCC[C@H]1O)c1cnc2n1CCC2	ZINC22_887554663,EMOLS-id_316945094,MCULE-5063088265,PC-id_136587163	277.362	APLKCVRKVRDNMJ-DGCLKSJQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042099
O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cn2c(n1)CCC2	EMOLS-id_316915875,MCULE-7016429111,ZINC22_583874209	277.362	LRVHCDXRQADXDA-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042100
OC(=S)C1CCn2c1ccc2C(=O)c1cccs1	SCHEMBL11131393,PC-id_20492842	277.362	JARJKXFRCSWYBX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042101
CC1CCc2c1c(nn2Cc1ccccc1C1CC1)C#N	MCULE-8228585327,EMOLS-id_331021049	277.364	OGEIRSAAQCIKGG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-042102
CC1CCc2c1c(nn2Cc1cccc(c1)C1CC1)C#N	MCULE-8772364875,EMOLS-id_331020282	277.364	KGNSFZSIZQLBAD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-042103
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(C#N)c12	EMOLS-id_331005108,MCULE-9132427044	277.364	GZINUEMLWSNCKW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-042104
CC1CCc2nn(Cc3ccccc3C3CC3)c(C#N)c12	EMOLS-id_331005875,MCULE-7971458501	277.364	BZYKYUITQDVCDZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-042105
CCCCC1=Cc2c(C1)c(C#N)nn2Cc1ccccc1	PC-id_23135149,SCHEMBL5523021	277.364	DHYBYXTZGUKEAJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-042106
CCCCC1=Cc2c(C1)n(nc2C#N)Cc1ccccc1	PC-id_23135169,SCHEMBL5531488	277.364	ZZVWUQCJKMDRFC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-042107
CC1CCCCN1C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_102714967	277.365	JFPGQXJYADUFJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042108
CC1CC(C)CN(C1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102322422	277.365	JKCNLKTUSZBHAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042109
CC1CCCCN(C1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102751206	277.365	CIOKLUCRSACQMF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042110
CC1CCC(N1C(=O)NC1CC(n2c1ncn2)C)(C)C	EMOLS-id_279078435	277.365	URADQORYQMBTEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042111
CC1CCCN(C1C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102669771	277.365	UNWONLRKUPYTJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042112
CC1CCC(N(C1)C(=O)NCc1nnc2n1CCC2)C	EMOLS-id_102534699	277.365	RCLHSOROYFAIPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042113
CC1CCCNC1C(=O)NC(c1nnc2n1CCC2)C	PC-id_107067273	277.365	KIDDRNFHWZGUPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042114
CC1CCCNC1C(=O)N(Cc1nnc2n1CCC2)C	PC-id_107067766	277.365	XOGCYEQUYMFDDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042115
CC1CCCN(C1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_71878109,MCULE-4155629340,EMOLS-id_45758276	277.365	CLMAIEDTUZRALB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042116
CC1CCCN(CC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102351185	277.365	FBDICQFCGYTTMB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042117
CC1CCN(CC1C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102494134	277.365	ODSLGFZIFWCTNS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042118
CC1CCN(CC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_102454043	277.365	KHHDTTJIJLOSQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042119
CC1CCNC(C1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_114422926	277.365	XRDJXNGNLYEXCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042120
CC1CCNC(C1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_114423484	277.365	PTGJDAXKPBUGSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042121
CC1CN(C(C1)(C)C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102452495	277.365	ODQAVGZJFFUQPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042122
CC1NCCC(C1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_106738890	277.365	MIKMZKSJMMHAKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042123
CC1NCCC(C1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_106739448	277.365	HCXPEDXNAVGLJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042124
CC1NCCN(C1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101899705	277.365	KCEUHXOBKRAXQS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042125
CC1NCC(N(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101899732	277.365	HYMKDIFFLGNOFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042126
CC1Sc2n(C1=O)nc(n2)SCc1ccccc1	SCHEMBL10560833,PC-id_21279508	277.365	NRTUCIJVZJWMEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042127
CCC1(CCCN1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_302666938,PC-id_83071483,MCULE-6715328515	277.365	PRLHLSKSSMCEFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042128
CCC1CCC(N1C(=O)NCc1nnc2n1CCC2)C	MCULE-4057584765,PC-id_75440957,EMOLS-id_48314084	277.365	VMZZDUWDTRVWHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042129
CCCc1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324847334	277.365	XPNXNMXUNVCRSE-TWGQIWQCSA-N	00000000100100000001000010000000000000000000000000000000	25-01-042130
CC(C)c1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324849391	277.365	BMYXJLFHFCZXNF-UITAMQMPSA-N	00000000100100000001000010000000000000000000000000000000	25-01-042131
CC(C(c1nnc2n1CCC2)NC(=O)N(C1CC1)C)C	EMOLS-id_49021305,PC-id_84584122,MCULE-8617547043	277.365	OUSLHAKFHZZJOW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042132
CC(C)[C@@H](NC(=O)N1CCCC1)c1nnc2n1CCC2	PC-id_96472549,ZINC22_78564316	277.365	TYXBFHVUJZOPQH-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042133
CC(C)[C@H](NC(=O)N1CCCC1)c1nnc2n1CCC2	ZINC22_78564311,PC-id_96472548	277.365	TYXBFHVUJZOPQH-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042134
CC(C)[C@H](NC(=O)NCC1CC1)c1nnc2n1CCC2	PC-id_97558526,ZINC22_96404827	277.365	CNDOAOMNSLUYIC-LBPRGKRZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042135
CC(C)[C@@H](NC(=O)N(C)C1CC1)c1nnc2n1CCC2	PC-id_97559503,ZINC22_96406268	277.365	OUSLHAKFHZZJOW-GFCCVEGCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042136
CC(C)[C@@H](NC(=O)NCC1CC1)c1nnc2n1CCC2	ZINC22_96404828,PC-id_97558527	277.365	CNDOAOMNSLUYIC-GFCCVEGCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042137
CC(C)[C@H](NC(=O)N(C)C1CC1)c1nnc2n1CCC2	ZINC22_96406267,PC-id_97559502	277.365	OUSLHAKFHZZJOW-LBPRGKRZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042138
CC(C)[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1nnc2n1CCC2	PC-id_98790776,ZINC22_107497631	277.365	YUAGPGTYDTXJPV-UMNHJUIQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042139
CC(C)[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1nnc2n1CCC2	PC-id_98790777,ZINC22_107497635	277.365	YUAGPGTYDTXJPV-NHCYSSNCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042140
CC(C)[C@H](NC(=O)N[C@@H]1C[C@H]1C)c1nnc2n1CCC2	ZINC22_242305011	277.365	YUAGPGTYDTXJPV-FOGDFJRCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042141
CC(C)[C@H](NC(=O)N[C@H]1C[C@H]1C)c1nnc2n1CCC2	ZINC22_242305012	277.365	YUAGPGTYDTXJPV-SCVCMEIPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042142
CC(C)C(NC(=O)N1CCCC1)c1nnc2n1CCC2	PC-id_60274086,CHEMBL4548468,MCULE-5719191855,EMOLS-id_44508321	277.365	TYXBFHVUJZOPQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042143
CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1nnc2n1CCC2	PC-id_97255956,ZINC22_95458670	277.365	VMZZDUWDTRVWHI-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042144
CC[C@@H]1CC[C@H](C)N1C(=O)NCc1nnc2n1CCC2	ZINC22_95458668,PC-id_97255954	277.365	VMZZDUWDTRVWHI-WDEREUQCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042145
CC[C@H]1CC[C@H](C)N1C(=O)NCc1nnc2n1CCC2	ZINC22_95458669,PC-id_97255955	277.365	VMZZDUWDTRVWHI-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042146
CC[C@H]1CC[C@@H](C)N1C(=O)NCc1nnc2n1CCC2	ZINC22_95458671,PC-id_97255957	277.365	VMZZDUWDTRVWHI-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-042147
CC[C@H]1N(C)CC[C@@H]1C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316631103	277.365	XGZTWFRHWAJHAV-POSLAHMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042148
CC(CN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319807780	277.365	UKEDPRVRWWAIBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042149
C[C@H]1CCCN(C(=O)N[C@H](C)c2nnc3n2CCC3)C1	PC-id_97092389,ZINC22_89929791	277.365	CLMAIEDTUZRALB-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042150
C[C@H]1CCCN(C(=O)N[C@@H](C)c2nnc3n2CCC3)C1	ZINC22_89929789,PC-id_97092387	277.365	CLMAIEDTUZRALB-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042151
C[C@@H]1CCCN(C(=O)N[C@H](C)c2nnc3n2CCC3)C1	ZINC22_89929790,PC-id_97092388	277.365	CLMAIEDTUZRALB-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042152
C[C@@H]1CCN([C@@H](C1)C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102899545	277.365	PZJWCMXQXKANAT-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042153
C[C@H](NC(=O)N1CCC[C@@H](C)C1)c1nnc2n1CCC2	ZINC22_89929788,PC-id_97092386	277.365	CLMAIEDTUZRALB-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-042154
CCN1CCC(CC1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319010869	277.365	IVKCJKSPUBNESN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042155
CC(N1CCC(CC1)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319743547	277.365	CBXCEVRFKGHXHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042156
CCN1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581167	277.365	ZBEOIMCPVKOHCB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042157
CCN(CC1CCN(C1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319485377	277.365	VMOFZFGBTJQSNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042158
CCNCC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318792095	277.365	LMNOUTBYESTGIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042159
CC(NC(=O)C1NCc2c1c[nH]n2)CN1CCCCC1	EMOLS-id_319619850	277.365	IWYOSEKAMYZTGB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042160
CN1CCN(C(C1)CNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98938595	277.365	YHBQIISRFYODAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042161
CN1CCN(CC(C1)C(=O)NC1CCn2c1ncc2)C	EMOLS-id_278833757	277.365	BVMKJYVBNDBTFP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042162
CN(CC1CCC1)C(=O)NCCc1nnc2n1CCC2	EMOLS-id_49103212,MCULE-7196196892,PC-id_71972712,ZINC22_96461473	277.365	JZQOTUWAVMBXAU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042163
CN(CC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318982422	277.365	HIQNEPHBFUFFCC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042164
CN(C(=O)C1(C)CCCCN1)Cc1nnc2n1CCC2	PC-id_104040918	277.365	MIAVAPJLHAEVMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042165
CNC(=O)NC1CCCN(C1)Cc1nn2c(c1)CCC2	EMOLS-id_318897839	277.365	VRIDIEQDHNCABR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042166
n12c(=O)c(=Cc3ccsc3)sc1nc(C(C)C)n2	MCULE-8420497038	277.365	BMYXJLFHFCZXNF-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-042167
n12nc(nc1sc(=Cc1cccs1)c2=O)CCC	MCULE-3362225695	277.365	UFWJPKRKIARHRI-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-042168
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCC	MCULE-8936817554	277.365	XPNXNMXUNVCRSE-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-042169
NCC1(CCCC1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_81503589,EMOLS-id_302665389,MCULE-8540911116	277.365	CODVXOBYSKGAAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042170
NCC(C1CCCCC1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319163947	277.365	NPPWNPGZHHYJPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042171
NC[C@H]1CCC[C@H]1C(=O)NC(c1nnc2n1CCC2)C	PC-id_121794903	277.365	RMNNITVSDCJIOX-FHZGLPGMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042172
NC[C@@H]1CC[C@H](CC1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318930351	277.365	APAYEINBYVZDDE-JJLHLNABSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042173
O=C1NCCN(C1)CCNC(c1nn2c(c1)CCC2)C	EMOLS-id_319500771	277.365	FIUCRQWPRQVBBF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042174
O=C(C1CCCCC1(C)N)NCc1nnc2n1CCC2	PC-id_120153097,EMOLS-id_302933161,MCULE-6752495887	277.365	UWSNLHMYGHQZDZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042175
O=C(C1(C)CCCCN1)NC(c1nnc2n1CCC2)C	PC-id_104040924	277.365	LNRFDWRFCUHTOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042176
O=C(C1(C)CCCNC1)NC(c1nnc2n1CCC2)C	EMOLS-id_302676370,MCULE-7476760518,PC-id_63130336	277.365	BWUQDKRSTSZXFX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042177
O=C(C1NCc2c1c[nH]n2)N1CCN(C(CC1)(C)C)C	EMOLS-id_319174440	277.365	ABMBZFUWWDADOH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042178
O=C(C1NCc2c1c[nH]n2)NCC1(CCCC1)N(C)C	EMOLS-id_319369855	277.365	GDJKYESIFFBPJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042179
O=C(C1NCc2c1c[nH]n2)NCC1CCC(CN1)(C)C	EMOLS-id_319184592	277.365	BZKFXJYGSNEHOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042180
O=C(C1NCc2c1c[nH]n2)NCCN1CCC(C1)(C)C	EMOLS-id_320115249,MCULE-9791683966	277.365	LKGOOTRGIORPHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042181
O=C(C1NCc2c1c[nH]n2)N(CCN1CCCCC1)C	EMOLS-id_320124107,MCULE-1660817814	277.365	PZELSDAEAAHEFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042182
O=C(C1NCC(C1)(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318382668	277.365	KNHDQGVNCQEDTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042183
O=C(C1(N)CCCCC1)NC(c1nnc2n1CCC2)C	MCULE-4877653595,EMOLS-id_302647195,PC-id_43698126	277.365	QGRNPYPXVDSKET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042184
O=C(N1CCC(CC1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_102317864	277.365	WAMHFKAKDJCYLX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042185
O=C(N1CCCC(C1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_102350916	277.365	ZMAGHOFEJOMNCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042186
O=C(N1CCCCCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_102355848	277.365	WIMSXWPWDLEWKE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042187
O=C(N1CCC(NC(c2n3CCCc3nn2)C)CC1)C	PC-id_43791492	277.365	FGEDTJYYHHLOMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042188
O=C(N1CCNC(C1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101899714	277.365	VGEKXSCWICUQRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042189
O=C(NC1C(C1)C)NC(c1n2CCCc2nn1)C(C)C	MCULE-4016596761,PC-id_71932225,EMOLS-id_45648302	277.365	YUAGPGTYDTXJPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042190
O=C(NC1CC(n2c1ncc2)C)N[C@@H]1CCCC[C@H]1N	EMOLS-id_102139487	277.365	GZZUJEBEBHQCOR-BFUDSRACSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042191
O=C(NCC1CC1)NC(c1n2CCCc2nn1)C(C)C	PC-id_72020819,MCULE-2441334473,EMOLS-id_49005344	277.365	CNDOAOMNSLUYIC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042192
O=C(NC(c1n2CCCc2nn1)C)C1C(CCC1)CN	PC-id_65893927	277.365	RMNNITVSDCJIOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042193
O=C(N(Cc1n2CCCc2nn1)C)C1C(CCC1)CN	PC-id_65894752	277.365	GDSJCINHFMCDGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042194
O=C(N(Cc1n2CCCc2nn1)C)C1(CCCC1)CN	PC-id_81501810	277.365	BVHNKVWWOYWRSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042195
O=C(N(Cc1n2CCCc2nn1)C)C1(CCCNC1)C	PC-id_63131896	277.365	RVFLSKLKWCYIMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042196
O=C(NC(c1n2CCCc2nn1)C)C1CCC(N)CC1	PC-id_60848487	277.365	WAFNUHYHLWVFQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042197
O=C(N(Cc1n2CCCc2nn1)C)C1CCC(N)CC1	PC-id_60962990	277.365	HLKGYZUEQAFNMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042198
O=C(NC(c1n2CCCc2nn1)C)C1(CCNC1)CC	PC-id_63139090	277.365	BBSRZZHBZIDVGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042199
O=C(N(Cc1n2CCCc2nn1)C)C1(CCNC1)CC	PC-id_63143377	277.365	RVOPUTMCBRIGAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042200
O=C(NC(c1n2CCCc2nn1)C)C1(CCNCC1)C	PC-id_63121820	277.365	GRIBLGPCZCVHBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042201
O=C(N(Cc1n2CCCc2nn1)C)C1(CCNCC1)C	PC-id_63122071	277.365	HARUNBZJYJISQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042202
O=C(NC(c1n2CCCc2nn1)C)C1CC(N)CCC1	PC-id_63043064	277.365	WTNFUMLXPFWREI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042203
O=C(N(Cc1n2CCCc2nn1)C)C1CC(N)CCC1	PC-id_63047124	277.365	VFJZKVOTFSKCLP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042204
O=C(N(Cc1n2CCCc2nn1)C)C1(C(N)CCC1)C	PC-id_82764425	277.365	PVXNZDRHQLGUKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042205
O=C(NC(c1n2CCCc2nn1)C)C1(C(N)CCC1)C	PC-id_82765142	277.365	QCXGRHWSZFNECX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042206
O=C(N(Cc1n2CCCc2nn1)C)C1C(N)CCCC1	PC-id_64822234	277.365	XULWWRQGGIHJEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042207
O=C(NC(c1n2CCCc2nn1)C)C1C(N)CCCC1	PC-id_64822931	277.365	WPOSNLDDFLTXOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042208
O=C(N(Cc1n2CCCc2nn1)C)C1(NCCC1)CC	PC-id_83071584	277.365	NCYVLEQKJKVNRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042209
O=C(N(Cc1n2CCCc2nn1)C)C1(N)CCCCC1	PC-id_60963936	277.365	VEGCNJOHUZLXSX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042210
O=C(NC(c1n2CCCc2nn1)C)C1NCCCCC1	PC-id_64561648	277.365	FLXWCLCAGHYKAR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042211
O=C(N(Cc1n2CCCc2nn1)C)C1NCCCCC1	PC-id_64562858	277.365	RVYWVWYZZBLDDR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042212
O=C(N(Cc1n2CCCc2nn1)C)CC1(CCC1)CN	PC-id_81171883	277.365	CKSKOUFGPKFNHO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042213
O=C(NC(c1n2CCCc2nn1)C)CC1(CCC1)CN	PC-id_81179452	277.365	OYKVFYRMGLWASK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042214
O=C(N(Cc1n2CCCc2nn1)C)CC1CCCNC1	PC-id_62676154	277.365	ULSNNNUPKWSZFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042215
O=C(NC(c1n2CCCc2nn1)C)CC1CCCNC1	PC-id_62676483	277.365	JMSDJTCLZGMWHR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042216
O=C(N(Cc1n2CCCc2nn1)C)CC1CCNCC1	PC-id_61028719	277.365	JIDPIBKLRDHYMP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042217
Brc1n2c(cc1Br)C(=O)NC2=O	PC-id_57521830	293.9	INQRDKKETABIBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054575
O=C(NC(c1n2CCCc2nn1)C)CC1CCNCC1	PC-id_61028826	277.365	NWAQAVQNHSKVES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042218
O=C(N(Cc1n2CCCc2nn1)C)CC1(N)CCCC1	PC-id_64677324	277.365	FEAFFGZYUQCQOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042219
O=C(NC(c1n2CCCc2nn1)C)CC1(N)CCCC1	PC-id_64684006	277.365	INGLLZGSABZNIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042220
O=C(NC(c1n2CCCc2nn1)C)CCC1CCNC1	PC-id_81720308	277.365	MLUAQVXWHJMQEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042221
O=C(N(Cc1n2CCCc2nn1)C)CCC1CCNC1	PC-id_81720331	277.365	SAIPVFOUWJNRFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042222
O=C(NC(c1n2CCCc2nn1)C)CNC1CCCC1	PC-id_60848488	277.365	XYJMJIMEQZRZBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042223
O=C(N(Cc1n2CCCc2nn1)C)CNC1CCCC1	PC-id_60963237	277.365	DHYIOLVLHQHKAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042224
O=C(NC(c1nnc2n1CCC2)C)CCC1CCCN1	PC-id_121634298,MCULE-7870877459,EMOLS-id_302679233	277.365	ZNJGUGFXZKARKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042225
O=C(NC(c1nnc2n1CCC2)C)C[C@@H]1CCC[C@H]1N	PC-id_121794905	277.365	OUNIMQJUJWDRGU-QXXIUIOUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042226
s1c2CCCc2c(c1NC(=O)CSCC#N)C#N	PC-id_82531853	277.365	AHQLSIBXKRGQRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042227
NC(=S)c1ccnc(n1)Nc1sc2c(n1)CCC2	PC-id_107546959	277.369	FJPIKTZKGIXSGD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042228
s1c2CCCc2nc1Nc1nccnc1C(=S)N	PC-id_62685135	277.369	KCGTYOVZQVZZBQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042229
s1c2CCCc2nc1Nc1ncc(nc1)C(=S)N	PC-id_64273901	277.369	NCRDLOUUFPICLP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042230
s1c2CCCc2nc1Nc1nnccc1C(=S)N	PC-id_80511356	277.369	SYLQTXHMQSLEJU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042231
C=C/C=CC(=C/C=C)C1C(C)Cc2[n+]1ccn2SF	PC-id_142091423	277.38	XYRCLFKKPZNAMY-WNDPTYLVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042232
CCC1CN(CCC1=O)C(=O)c1sc2c(c1)CCC2	PC-id_114508123	277.382	UISBBNKMYIJRNE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042233
COCc1ccc(o1)C(c1sc2c(c1)CCC2)NC	PC-id_116007493	277.382	GQCQVGNORADKFM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-042234
OC[C@]12C[C@H]1CCCN2C(=O)c1sc2c(c1)CCC2	MCULE-1806279324,EMOLS-id_320029077	277.382	HCCWRGOWKKPVCI-IAQYHMDHSA-N	00100010100010000000010010000000000000000000000000000000	25-01-042235
s1c2c(CCC2)cc1C(=O)N1C(CCC1)CC(=O)C	PC-id_79540855	277.382	KZICOXZGYZPILR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042236
s1c2c(CCC2)cc1C(=O)N(C1CCC(=O)CC1)C	PC-id_79120637	277.382	BJWBJEFAERWMOG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042237
C1CC(CC=C1)C(=O)NCCc1cn2CCSc2n1	EMOLS-id_49946650,PC-id_86795042,MCULE-3590097064	277.385	OXQWEWPXIHKSCU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-042238
CCCC[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N	PC-id_107145033	277.385	CAKPZFDKRVYALT-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-042239
c12c([nH]c(c1C(=O)N=C2Br)Br)O	PC-id_136632182	293.9	QNAGYAHECBSMDF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-054576
CCC(C)[C@H](N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327939092,PC-id_61258593	277.385	UBOSMKQGRWTDIV-MYIOLCAUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042240
CC(C)CC(N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327833252,PC-id_61259491,MCULE-1645505129	277.385	NPCUOJUVPPSHSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042241
CCCCC(N)C(=O)Nc1sc2CCCc2c1C#N	PC-id_61260576,EMOLS-id_328002415,MCULE-4503128022	277.385	CAKPZFDKRVYALT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042242
CCCn1ncnc1CC(c1sc2c(c1)CCC2)O	PC-id_115816508	277.385	MQQJJTSDNIIHHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042243
COc1cnn(c1C(c1sc2c(c1)CCC2)NC)C	PC-id_105046864	277.385	SRNGICWDFWDTQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042244
COc1cnn(c1C(c1sc2c(c1)CCC2)N)CC	PC-id_105047720	277.385	BJILQMULGJRGCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042245
C(=O)(Nc1sc2CCCc2c1C#N)CCCCCN	MCULE-9187775143,PC-id_61259490,EMOLS-id_327883592	277.385	NOJJDCZEERSMBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042246
N#Cc1c(NC(=O)[C@@H](C(C)(C)C)N)sc2c1CCC2	PC-id_103929664	277.385	NCWBIPNCUCPRSJ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-042247
N#Cc1c(NC(=O)[C@@H](CC(C)C)N)sc2c1CCC2	PC-id_104903286	277.385	NPCUOJUVPPSHSA-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042248
NCCCC(C(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_104684813	277.385	AMBMEGRQOOVSED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042249
OC(c1sc2c(c1)CCC2)Cc1ncnn1C(C)C	PC-id_115813757	277.385	BDYKDQATXHXAAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042250
O=C(N(C1CC[NH+](CC1)C)CC)c1n[nH]c2c1CCC2	PC-id_51599952	277.385	IYCPUTQPLLRACT-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-042251
O=C(NCC1[NH+](CCCC1)CC)c1n[nH]c2c1CCC2	PC-id_75681683	277.385	INMVWTHYUPKDFG-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-042252
O=C(NCCc1cn2c(n1)SCC2)[C@@H]1CC=CCC1	PC-id_99777770,ZINC22_170082060	277.385	OXQWEWPXIHKSCU-LLVKDONJSA-N	00000010100011000001000010000000000000000000000000000000	25-01-042253
O=C(NCCc1cn2c(n1)SCC2)[C@H]1CC=CCC1	ZINC22_170082057,PC-id_99777769	277.385	OXQWEWPXIHKSCU-NSHDSACASA-N	00000010100011000001000010000000000000000000000000000000	25-01-042254
O=C(NC[C@@H]1[NH+](CCCC1)CC)c1n[nH]c2c1CCC2	PC-id_51595421	277.385	INMVWTHYUPKDFG-LLVKDONJSA-O	00000010100010000001000010000000000000000000000000000000	25-01-042255
O=C(NC[C@H]1[NH+](CCCC1)CC)c1n[nH]c2c1CCC2	PC-id_51595423	277.385	INMVWTHYUPKDFG-NSHDSACASA-O	00000010100010000001000010000000000000000000000000000000	25-01-042256
O=C(N(CC[NH+]1CCCCC1)C)c1n[nH]c2c1CCC2	PC-id_51599949	277.385	JTBFTHOZPWONQD-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-042257
s1c2c(CCC2)cc1CNCc1cn(nc1)CCO	PC-id_64830015	277.385	VJGGRHKBDQKRSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042258
s1c2c(CCC2)cc1CNCC(O)Cn1nccc1	PC-id_61207969	277.385	RVNYWVUQURAFPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042259
s1c2c(CCC2)c(c1NC(=O)C(C(C)C)CN)C#N	PC-id_65229189	277.385	GQWFECSMVSOCRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042260
s1c2c(CCC2)c(c1NC(=O)C(CCC)CN)C#N	PC-id_65229233	277.385	GUSVMUXRZXZUKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042261
s1c2c(CCC2)c(c1NC(=O)CC(CC)CN)C#N	PC-id_81087513	277.385	XGZVMOOBJVMYOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042262
s1c2c(CCC2)c(c1NC(=O)C(CC)(CN)C)C#N	PC-id_81945335	277.385	ILYRUBNRKOMJIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042263
s1c2c(CCC2)c(c1NC(=O)CCC(CN)C)C#N	PC-id_82012044	277.385	OMRHMCGNWDFQQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042264
s1c2CCCc2c(c1NC(=O)CCCC(N)C)C#N	PC-id_82851744	277.385	ZRRYGBUUSVWWJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042265
s1c2c(CCC2)c(c1NC(=O)CCC(N)(C)C)C#N	PC-id_64009544	277.385	YXJWKFRWBVHAMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042266
s1c2CCCc2c(c1NC(=O)CCNC(C)C)C#N	PC-id_60722952	277.385	SSDJOLCQQZPUPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042267
s1c2c(CCC2)c(c1NC(=O)CC(NCC)C)C#N	PC-id_62838534	277.385	VRQWXMJAZIILOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042268
s1c2c(CCC2)c(c1NC(=O)C(CNCC)C)C#N	PC-id_62839281	277.385	URQGGVBXWFDZDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042269
s1c2c(CCC2)c(c1NC(=O)CC(N)CCC)C#N	PC-id_81974996	277.385	OQGALIFCMNFTAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042270
s1c2c(CCC2)c(c1NC(=O)CC(N)C(C)C)C#N	PC-id_81990189	277.385	HAHIGVGHHHLCPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042271
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)CC(C)C)C#N	PC-id_61258230	277.385	NPCUOJUVPPSHSA-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-042272
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)C(C)(C)C)C#N	PC-id_61258412	277.385	NCWBIPNCUCPRSJ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042273
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)[C@H](CC)C)C#N	PC-id_61258411	277.385	UBOSMKQGRWTDIV-UFBFGSQYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042274
s1c2CCCc2c(c1NC(=O)CNC(C)(C)C)C#N	PC-id_27150118	277.385	UDKQZBFZYQMYRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042275
s1c2CCCc2c(c1NC(=O)CNC(CC)C)C#N	PC-id_60646981	277.385	PMDWJSSKFVCWMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042276
s1c2c(CCC2)c(c1NC(=O)C(N)C(CC)C)C#N	PC-id_61259665	277.385	UBOSMKQGRWTDIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042277
s1c2c(CCC2)c(c1NC(=O)C(N)(CCC)C)C#N	PC-id_61260577	277.385	YGQIBJSQBKYESE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042278
s1c2c(CCC2)c(c1NC(=O)C(NCC)(C)C)C#N	PC-id_62835941	277.385	SBVJEQFDHXOTGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042279
s1c2c(CCC2)c(c1NC(=O)C(N)C(C)(C)C)C#N	PC-id_76896676	277.385	NCWBIPNCUCPRSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042280
s1c2c(CCC2)c(c1NC(=O)C(N)(CC)CC)C#N	PC-id_79813209	277.385	HQPPDCDSQJVJDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042281
s1c2CCCc2nc1NS(=O)(=O)CC(=S)N	PC-id_65567275	277.387	PQISTFRNKJWSRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042282
Cc1cnc(s1)C(CNC1CC(n2c1ncn2)C)C	EMOLS-id_316584160	277.388	GOKBETHTBKFKAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042283
Cc1csc(n1)C(CNC1CC(n2c1ncn2)C)C	MCULE-9256274645,EMOLS-id_258183708	277.388	UVTUKGHQSXWTRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042284
CC(c1csc(n1)CNC1CC(n2c1ncn2)C)C	MCULE-1216432997,EMOLS-id_320251702	277.388	HGCKMINAHBENJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042285
CC(c1nnc2n1CCC2)Nc1ncc(s1)C(C)C	EMOLS-id_318052076,MCULE-4983601819	277.388	AELUQDAHZBJEEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042286
CC(c1nnc(s1)NCc1cnc2n1CCC2)(C)C	MCULE-8565975525,EMOLS-id_318236437	277.388	NDSOBFPDBRJWQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042287
CCc1scc(n1)CCNC1CC(n2c1ncn2)C	EMOLS-id_316575721	277.388	QMRGKEZZCACGGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042288
CCc1scc(n1)C(NC1CC(n2c1ncn2)C)C	EMOLS-id_319022231	277.388	KRDJUZIWWRJADD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042289
CCCn1nncc1C(c1sc2c(c1)CCC2)NN	PC-id_105335560	277.388	UVRCSNHYIZSXBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042290
CC(n1nnc(n1)CNC1CCc2c1scc2)(C)C	MCULE-2769545454,EMOLS-id_318606181	277.388	SRDNEJFBYUEKHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042291
CCNC(c1sc2c(c1)CCC2)Cc1nnn(n1)C	PC-id_107064783	277.388	KSQWJLVULARQBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042292
NNC(c1sc2c(c1)CCC2)Cc1ncnn1CC	PC-id_113702926	277.388	TURYVCIMKPBRIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042293
s1cc(nc1C)C(NC(c1n2CCCc2nn1)C)C	PC-id_43748189	277.388	VSMDQQUKFMLRNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042294
s1c(C(NC(c2n3CCCc3nn2)C)C)c(nc1)C	PC-id_43791521	277.388	LKMUIPLIZOTSHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042295
s1c(CNC(c2n3CCCc3nn2)C)cnc1CC	PC-id_54883386	277.388	RDZWSAXKWMACTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042296
s1c(CNC(c2n3CCCc3nn2)C)c(nc1C)C	PC-id_64539308	277.388	QLGPZIGVMIJOLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042297
c1(C(=O)NCCCCCCCCC)c2CCCc2[nH]n1	MCULE-9336917391,EMOLS-id_323258802	277.405	SDCHKPGGVQSEEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042298
CC1CC(c2n1ccn2)NCC(C1(O)CCCC1)(C)C	EMOLS-id_101362447	277.405	WFZJVFOGVOZTKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042299
CC(c1cc2n(n1)CCC2)NCC1(C)CCCCC1O	EMOLS-id_101838865	277.405	ASMFLWWWJLWKFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042300
CC(c1nn2c(c1)CCC2)NCC1(O)CCCCCC1	EMOLS-id_101838853,MCULE-3451257018	277.405	SOQYYFCCAKQVAR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042301
CC(C)(CC1CCOCC1)NCc1cnn2c1CCC2	ZINC22_2325812762	277.405	FHTNVAFKNOTFKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042302
O=C(c1sc2c(c1)CCC2)Cc1sc(c(n1)C)C	PC-id_113659923	277.405	FTFHYUQMSXXJCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042303
OCC(C1CCCCC1)NC(c1cc2n(n1)CCC2)C	EMOLS-id_318304518	277.405	QUKJEICGZASZIR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042304
s1c2CCCc2cc1C(=O)NCCc1sccc1	PC-id_31365053	277.405	BVSHXEMCWUYZTF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042305
C1Cc2c(C1)sc(n2)CNc1nc2c(s1)CCC2	MCULE-2330794158,EMOLS-id_318654613	277.408	GFVWDMVYIYOTHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042306
c1csc(n1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_104077801	277.408	QXNXOSVZHAEHGY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042307
CC1CC(c2n1ncn2)NC1CC(C)(C)NC(C1)(C)C	EMOLS-id_319897037,MCULE-5009345103	277.408	SARSDMXQRWYOFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042308
CC(CC1CCCCCN1)NCc1nnc2n1CCC2	EMOLS-id_102123814	277.408	KWBYQPRFRNGYKJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042309
CN1CCN(C(C1)C(NCc1cnn2c1CCC2)C)C	EMOLS-id_318788978	277.408	WGCJHXBMAMJCAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042310
CSc1ncnc(c1)NCc1sc2c(c1)CCC2	PC-id_113899690	277.408	OXNHSIKBPFWBFH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042311
N1(CCC(C(NC(c2n3CCCc3nn2)C)C)CC1)C	PC-id_43748048	277.408	KWTSTDYBFDTWCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042312
N1(CCC(NC(c2n3CCCc3nn2)C)CC1)C(C)C	PC-id_43748071	277.408	GQTQALXKDCWPJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042313
N1(CCC(NC(c2n3CCCc3nn2)C)CC1)CCC	PC-id_43748075	277.408	ISXIEBQETXFCKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042314
N1(C(CC(NC(c2n3CCCc3nn2)C)C(C1)C)C)C	PC-id_43748186	277.408	OMSLOTAGZOWQSV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042315
N1(CC(C(NC(c2n3CCCc3nn2)C)C)CCC1)C	PC-id_43748049	277.408	GDGCEZIOGFEMKL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042316
N1C(CC(NC(c2n3CCCc3nn2)C)C)CCCC1	PC-id_79539586	277.408	OUQSBRIOCIILCD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042317
n1csc(c1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_113373069	277.408	GVNDFKBPUHKABT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042318
N(C1CCCN(CC1)CC)C(c1n2CCCc2nn1)C	PC-id_65073602	277.408	YNACBRNERZJRPL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042319
s1c2c(CCC2)cc1CNc1snc(n1)C1CC1	PC-id_65276650	277.408	VFKVWLCNVHFJHV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-042320
s1cnc(c1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_113472295	277.408	RIAPAERAWNOAQD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042321
CC1CCCC(C1NC(=O)c1sc2c(c1)CCC2)C	PC-id_112817285	277.425	BJICZOCQWYGOSU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042322
CCC1CCC(CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_112817142	277.425	RMEGNZMHNAQKMP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042323
CCCCCCCCC1=NC(=O)c2c1c(C)sc2C	PC-id_118579526,SCHEMBL17339885	277.425	XOXRXMNPWIZWJA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-042324
CCCNC(c1sc2c(c1)CCC2)C1=CCCCO1	PC-id_102649012	277.425	OSSJVLAWBMGZND-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-042325
CCCNC(c1sc2c(c1)CCC2)C1=COCCC1	PC-id_105033178	277.425	QMEKEDDKUAEJHH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-042326
C[C@H]1C[C@@H]1CN(C)C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325873773	277.425	SWEYEDKILHIWHS-CMPLNLGQSA-N	00100010100000000000000010000000000000000000000000000000	25-01-042327
C[C@H]1C[C@H]1CN(C)C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325873774	277.425	SWEYEDKILHIWHS-JQWIXIFHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-042328
C[C@@H]1C[C@H]1CN(C)C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325873775	277.425	SWEYEDKILHIWHS-PWSUYJOCSA-N	00100010100000000000000010000000000000000000000000000000	25-01-042329
C[C@@H]1C[C@@H]1CN(C)C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325873776	277.425	SWEYEDKILHIWHS-ZYHUDNBSSA-N	00100010100000000000000010000000000000000000000000000000	25-01-042330
CN(C(=O)c1cc2c(s1)CC(C)(C)C2)C1(C)CCC1	ZINC22_2325873331	277.425	DEPZRNONMIKNQY-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-042331
s1c(CNC2C(C3OCCC23)(C)C)cc2c1CCC2	PC-id_64863712	277.425	RKVTXEHKYMLMEG-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-042332
CC(c1sc2c(c1)S(=O)(=O)N(S2)C(C)C)C	PC-id_117881970,SCHEMBL16476962	277.427	WZPFDYTUCZOVGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042333
s1c2c(CCC2)cc1/C(=N/C1CCCCCC1)/NN	PC-id_61362557	277.428	XKINAKJWXUFIKW-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-042334
s1c2CCCc2cc1C/N=C(/NC1CCCCC1)N	PC-id_55064062	277.428	XWOCGRCLQXKVAK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042335
Cc1cc(c(s1)C)CNCc1sc2c(c1)CCC2	EMOLS-id_314124581,PC-id_54977376	277.448	HXRSSBBBTUCRTO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042336
CCc1ccc(s1)CC(c1sc2c(c1)CCC2)N	PC-id_115842363	277.448	QYPHBHNTTALMDL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042337
CCc1ccc(s1)CNCc1cc2c(s1)CCC2	PC-id_61206691,EMOLS-id_314885266	277.448	DGIPCLSVVNNECA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042338
CCCNC(c1sc2c(c1)CCC2)c1ccsc1	PC-id_104988336	277.448	PYLYDAAKFITOHC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042339
CC(N1C(c2c(C1C(C)(C)C)nc[nH]2)C(C)(C)C)(C)C	SCHEMBL18930289	277.448	SFMMKNZIYDTJGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042340
CCNC(c1ccsc1C)c1sc2c(c1)CCC2	PC-id_102841043	277.448	WCIXHXUKCUMZBI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042341
CCNC(c1sc2c(c1)CCC2)c1csc(c1)C	PC-id_113669126	277.448	VKDGYVRMILDRKH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042342
CNC(c1sc2c(c1)CCC2)CCc1cccs1	PC-id_115860683	277.448	JNTSTLSFGIUIMC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042343
CNC(c1sc2c(c1)CCC2)CCc1ccsc1	PC-id_113667388	277.448	WOGNLPOZGBQUGW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042344
s1c2c(CCC2)cc1C(NC)c1c(sc(c1)C)C	PC-id_43485230	277.448	STWWYVCUTNQJOB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042345
s1c2c(CCC2)cc1C(NC)c1sc(cc1)CC	PC-id_43480707	277.448	JLVWVYUGBOXJDU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042346
s1c2c(CCC2)cc1CNC(c1sc(cc1)C)C	PC-id_61209133	277.448	TWKJUNUYXGSFFA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042347
s1c2c(CCC2)cc1CNC(c1sccc1C)C	PC-id_63991495	277.448	AEHXJXNOZLEDJV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042348
s1c2c(CCC2)cc1C(NC)c1sc(cc1C)C	PC-id_81156907	277.448	XRRFJVYIPSRMPU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042349
s1c2c(CCC2)cc1C(NCC)c1sc(cc1)C	PC-id_43488098	277.448	ZTERGCKYGSGOFC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042350
s1c2c(CCC2)cc1C(NCC)c1sccc1C	PC-id_55006579	277.448	ZWAFUPGFBTZBGI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042351
s1c2c(CCC2)cc1C(NCC)Cc1ccsc1	PC-id_61079107	277.448	GXAMFYIJRBHCJG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042352
s1c2c(CCC2)cc1C(NCC)Cc1sccc1	PC-id_61063759	277.448	TXWUMXXRLJWTRD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042354
s1c2c(CCC2)cc1CNC(CC)c1sccc1	PC-id_61208158	277.448	KTDRTVAGTRCOLO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042355
CCC1CCC(CC1)C(c1sc2c(c1)CCC2)NC	PC-id_104990739	277.468	BVFJIJXFFAWNRC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042356
CCC1CCCC(C1)C(c1sc2c(c1)CCC2)NC	PC-id_104992247	277.468	KZXRYUQNGNTOLX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042357
CCC1CCCCC1C(c1sc2c(c1)CCC2)NC	PC-id_115862434	277.468	RVXNOTBMHXRRPA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042358
CC(C1CCCC(C1)NCc1sc2c(c1)CCC2)C	PC-id_107448394	277.468	ZTARYPHXMQKKLW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042359
C=CCCCCCC(c1sc2c(c1)CCC2)NCC	PC-id_107011505	277.468	LFGNTYXUQZGWAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042360
CCCNC(c1sc2c(c1)CCC2)C1CCCCC1	PC-id_114981040	277.468	WZJPJMYJUHETMK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042361
CCCNC(c1sc2c(c1)CCC2)CC1CCCC1	PC-id_115847229	277.468	AKPPVUINASLZJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042362
CCNC(c1sc2c(c1)CCC2)C1CCC(CC1)C	PC-id_104988190	277.468	SXPMNFSERUSIHP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042363
CCNC(c1sc2c(c1)CCC2)C1CCCC(C1)C	PC-id_104992202	277.468	OKLIYGJHCKSXCS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042364
CCNC(c1sc2c(c1)CCC2)C1CCCCCC1	PC-id_105027888	277.468	DLKSCAARCBIVHG-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-042365
CCNC(c1sc2c(c1)CCC2)CC1CCCCC1	PC-id_115842232	277.468	ZPMIGLQGTBXRDH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042366
CNC(c1sc2c(c1)CCC2)C1CCC(C(C1)C)C	PC-id_104989117	277.468	QQDWZLUQFDTFGM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042367
CNC(c1sc2c(c1)CCC2)C1CC(C)CC(C1)C	PC-id_104988612	277.468	SVVSKHOURGKTGF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042368
s1c(CNC2CCC(CC2)C(C)C)cc2c1CCC2	PC-id_55192358	277.468	VZBWOWJCRZSQTB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042369
s1c(CNC2CCC(CC2)CCC)cc2c1CCC2	PC-id_63452236	277.468	ZBXOKMMPJUNLJO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042370
s1c(CNC2CC(CC(C2)C)(C)C)cc2c1CCC2	PC-id_63452584	277.468	VDPPFKARCWWXKN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042371
s1c(CNC2C(CC(CC2)(C)C)C)cc2c1CCC2	PC-id_81321204	277.468	RWOPPKCOVKZEGS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042372
s1c(CNC2C(CCCC2)C(C)C)cc2c1CCC2	PC-id_81916286	277.468	CTBHZTVRBHZQCE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042373
s1c(CNC2CCC(CCC2)CC)cc2c1CCC2	PC-id_65083505	277.468	KVXLVSVLMMGYEE-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-042374
s1c(CNC2CCC(CCC2)(C)C)cc2c1CCC2	PC-id_65083551	277.468	XZHPTZOCRRTDLM-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-042375
c1(C(=O)Nc2c(O)ccc(Cl)c2)c2CCCc2[nH]n1	EMOLS-id_334972594,MCULE-4418462124	277.706	OVKQEDGNQXCLQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042376
Clc1ccc(NC(=O)Nc2onc3CCCc23)cc1	PC-id_58664478	277.706	UHQDSPRENAZBBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042377
CCc1ncc(c(n1)C(=O)N1Cc2c(C1)cn[nH]2)Cl	EMOLS-id_319978265,MCULE-3065738010	277.71	RKJGHEQSTJYHRT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042378
Clc1cc(ncc1)C(=O)NCc1n2CCCc2nn1	PC-id_52024799	277.71	WKKDPGUZABKAJS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042379
Clc1cnc(cn1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_278909642	277.71	LSIKHYDGNVSKAC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042380
Clc1cnc(cn1)CNC(=O)c1cnc2n1CCC2	MCULE-5077411159,EMOLS-id_258099954	277.71	XJPHFZKGAVRSPF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042381
Clc1cnc(cn1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_316546658	277.71	GDFQTIAUMVNYSC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042382
O=C(c1ncncc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319401136	277.71	DDIIQIVRHFPAEK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042383
O=C(NCc1nnc2n1CCC2)c1ccc(Cl)nc1	ZINC22_40486230,CoCoCo_4560458,PC-id_45803635,MCULE-4309139426	277.71	RCDSEPGGXXGJDH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042384
Fc1ccc(cc1)C(=O)c1c(C)c(c2n1CCC2)Cl	PC-id_140336894	277.721	HSCDTGPAVXTFCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042385
Cc1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324839661	277.729	CSEYIVXNPUJMAZ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-042386
Cc1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324840171	277.729	MDSVVGKGNWNFDF-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-042387
Cc1nnc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n12	ZINC22_9187945	277.729	PQRFAPQZLRJIAG-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-042388
Clc1c(C=CC2Sc3n(C2=O)cnn3)cccc1	PC-id_18891873	277.729	OMBUGOOZWWCYHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042389
Clc1ccc(cc1)/C=c/1c(=O)sc2n1nc(n2)C	PC-id_101129411	277.729	QYWQGOUFOXGYLM-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-042390
Clc1ccc(/C=C/c2nn3c(SCC3=O)n2)cc1	PC-id_82357983	277.729	SMIBLGKLDVJKLI-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042391
Clc1ccc(C=CC2Sc3n(C2=O)cnn3)cc1	PC-id_18891877	277.729	IHYQHMDBUBLEEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042392
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)C	MCULE-6618668268	277.729	CSEYIVXNPUJMAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-042393
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)C	MCULE-9127647839	277.729	MDSVVGKGNWNFDF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-042394
COc1c(cccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_318029872,MCULE-8607331659	277.749	MDOPZBSMFIUXCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042395
COc1cccc(c1CNC1CCn2c1ncc2)Cl	EMOLS-id_317970839,MCULE-1714314851	277.749	QSQURVKSTUIEFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042396
COc1ccc(c(c1)NC1CC(n2c1ncc2)C)Cl	MCULE-3317552282,EMOLS-id_317952185	277.749	WXKSEHIMXTZGPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042397
COc1ccc(c(c1)NCc1cnc2n1CCC2)Cl	MCULE-4096882907,EMOLS-id_317918094	277.749	URNPQKYTRHQOTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042398
COc1ccc(cc1NCc1cnc2n1CCC2)Cl	MCULE-6879966478,EMOLS-id_317917549	277.749	HRCLHWLPJHNOPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042399
COc1cc(Cl)ccc1CNC1CCn2c1ncc2	MCULE-4936664480,EMOLS-id_318485207	277.749	MBAJDLAKAQBMBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042400
COc1cc(Cl)c(cc1NC1CCn2c1ncc2)C	EMOLS-id_318485923,MCULE-4148725124	277.749	KNBDPSGLNVRGQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042401
COc1cc(Cl)ccc1NCc1cnc2n1CCC2	EMOLS-id_318704633,MCULE-9052768433	277.749	VKWNZDVKDLSEFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042402
COc1cc(NCc2cnc3n2CCC3)ccc1Cl	EMOLS-id_317928533,MCULE-5762969299	277.749	QFWPONZFIDNPOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042403
CC(c1nnc2n1CCC2)Nc1ccnc(c1Cl)C	MCULE-8353154856,EMOLS-id_318446865	277.753	VQKQCBAHFCFWCF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042404
CC(c1nnc2n1CCC2)NCc1ccncc1Cl	MCULE-3558818516,EMOLS-id_317945980	277.753	NHHVTCQMTUCERM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042405
Clc1cccc(c1)C(=O)C1Sc2c(C1)cc([nH]2)C	PC-id_144120090	277.769	NPUQDCVQNVSPQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042406
Clc1ccc(cc1)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2458950,PC-id_21955870	277.769	XDXVRQIRTANHBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042407
Clc1ccc(C(=O)c2c3SCCn3c(c2)C)cc1	PC-id_10850177	277.769	BSCJVWSNMCCSFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042408
Clc1cc(C(=O)c2sc3CCCc3c2)ccc1N	PC-id_64194051,EMOLS-id_315212090	277.769	APVFKYLYYSCXPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042409
Clc1c(C(=O)c2sc3CCCc3c2)ccc(N)c1	EMOLS-id_314291683,PC-id_64193517	277.769	JSAGRPNYXXKVJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042410
Nc1c(C(=O)c2ccc(Cl)cc2)c2c(CCC2)s1	CoCoCo_317174,SCHEMBL138601,PD113089,MCULE-5489614245,CHEMBL57179,BAS-04364366,PC-id_859628,ZINC22_415527,EMOLS-id_1449171	277.769	ZXCMGFVABPBNBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042411
Nc1c(C(=O)c2cc(Cl)ccc2)c2c(CCC2)s1	EMOLS-id_46305825,PC-id_10901902,CHEMBL126251,MCULE-8960073926,ZINC22_13558660	277.769	YOLMMCXSTIHBBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042412
Nc1sc2CCCc2c1C(=O)c1ccccc1Cl	SCHEMBL10447284,PC-id_859636,EMOLS-id_336467887	277.769	YZEOIISWZFOLTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042413
O=C(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_112655312,EMOLS-id_315842560	277.769	AEUUAHFDLXHATK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-042414
O=C(Nc1ccccc1Cl)c1cc2c(s1)CCC2	PC-id_2373397,MCULE-1761375973,ZINC22_3256756,EMOLS-id_43820595,CoCoCo_3246302	277.769	HGIVJOYZVOPJMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042415
O=C(Nc1cccc(Cl)c1)c1cc2c(s1)CCC2	CoCoCo_3258726,PC-id_8760692,ZINC22_7652451,EMOLS-id_17165563,MCULE-1550422647	277.769	NGDGIYJZHPTXDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042416
O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCC2	ZINC22_7654270,PC-id_8762364,EMOLS-id_98147493,MCULE-7095443350	277.769	FZEOTOXDOPNYHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042417
Clc1cccc(c1)CNCc1sc2c(c1)CCC2	EMOLS-id_314100164,PC-id_61208155	277.812	NCFIUWFRNNJQQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042418
Clc1ccccc1CNCc1sc2c(c1)CCC2	EMOLS-id_314548048,PC-id_61207573	277.812	SBLDJEVYGYDWAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042419
Clc1ccc(cc1)CNCc1sc2c(c1)CCC2	PC-id_61207951,EMOLS-id_314098884	277.812	BBNSWQCKWXLYOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042420
Clc1ccc(CC(N)c2sc3c(CCC3)c2)cc1	PC-id_61079815	277.812	RJQVVSGNFVOJER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042421
Clc1cc(CC(N)c2sc3c(CCC3)c2)ccc1	PC-id_62504619	277.812	KDLMDSYBJIHWRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042422
Clc1ccc(C(NC)c2sc3c(CCC3)c2)cc1	PC-id_43481359	277.812	KOEFWBITYZUUDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042423
Clc1c(CC(N)c2sc3c(CCC3)c2)cccc1	PC-id_61078636	277.812	JHQBYCVOUSOIDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042424
Clc1sc2CCC(Nc3c(c(ccc3)C)C)c2c1	PC-id_81251496	277.812	FUWCENMUKZTNCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042425
Clc1sc2CCC(Nc3c(ccc(c3)C)C)c2c1	PC-id_81251589	277.812	XCNVWEAUHKOUQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042426
Clc1sc2CCC(Nc3c(cc(cc3)C)C)c2c1	PC-id_81251818	277.812	PNMWUMOATVTFBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042427
Clc1sc2CCC(Nc3cc(cc(c3)C)C)c2c1	PC-id_81251826	277.812	ZDDWKMCUACSKDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042428
Clc1sc2CCC(Nc3cc(c(cc3)C)C)c2c1	PC-id_81252156	277.812	IZVDHKYWFDKEHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042429
Clc1sc2CCC(Nc3ccc(cc3)CC)c2c1	PC-id_81252158	277.812	JZOZUNANOMLUSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042430
Clc1sc2CCC(Nc3c(CC)cccc3)c2c1	PC-id_81252374	277.812	GBQXALOACYITMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042431
Clc1sc2CCC(Nc3cc(CC)ccc3)c2c1	PC-id_81252773	277.812	CTSCRQSCSDLWAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042432
Clc1sc2c(C(NCc3c(cccc3)C)CC2)c1	PC-id_81251515	277.812	MKRZEGWOVZAZOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042433
Clc1sc2c(C(NC(c3ccccc3)C)CC2)c1	PC-id_81252036	277.812	DRIOZRARWPJPNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042434
Clc1sc2c(C(NCc3cc(ccc3)C)CC2)c1	PC-id_81252161	277.812	QKDWORYKFTVCSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042435
Clc1sc2c(C(NCc3ccc(cc3)C)CC2)c1	PC-id_81252883	277.812	MDVVDEGRSLSMGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042436
Clc1sc2c(C(NCCc3ccccc3)CC2)c1	PC-id_81252041	277.812	NJJQIRCNDCYMFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042437
Clc1sc2c(C(N[C@@H](c3ccccc3)C)CC2)c1	PC-id_81351172	277.812	DRIOZRARWPJPNS-VUUHIHSGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042438
Clc1sc2c(C(N[C@H](c3ccccc3)C)CC2)c1	PC-id_81351202	277.812	DRIOZRARWPJPNS-NKUHCKNESA-N	00000010100000110000000010000000000000000000000000000000	25-01-042439
ClC(c1sc2c(CCC2)c1)C(c1ccncc1)C	PC-id_66459149	277.812	GDAYHIAOLWRSSK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-042440
ClC(c1sc2c(CCC2)c1)Cc1ncccc1C	PC-id_66459586	277.812	KKRCOPWTHAWXIY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-042441
ClC(c1sc2c(CCC2)c1)Cc1ncc(cc1)C	PC-id_66460018	277.812	CVTMVHUKGZATDU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-042442
ClC(c1sc2c(CCC2)c1)C(c1ncccc1)C	PC-id_66461407	277.812	LONPBSJPIWMGLC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-042443
CNC(c1ccccc1Cl)c1sc2c(c1)CCC2	PC-id_113661464	277.812	XTDNMSSXYWGOMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042444
CNC(c1sc2c(c1)CCC2)c1cccc(c1)Cl	PC-id_115811239	277.812	SRAPCBIEZHKNKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042445
NC(c1ccc(c(c1)Cl)C)c1sc2c(c1)CCC2	PC-id_107561692	277.812	XFJYVSVIQDOUCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042446
CC(NC1CCc2c1cc(s2)Cl)CS(=O)C	PC-id_104537519	277.834	AUGUWTBGLCURMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042447
CCS(=O)CCNC1CCc2c1cc(s2)Cl	PC-id_115889673	277.834	FARRQKWLGGOKSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042448
CC(S(=O)C)CNC1CCc2c1cc(s2)Cl	PC-id_115896287	277.834	KDAYTMCVQCEFAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042449
CS(=O)CCCNC1CCc2c1cc(s2)Cl	PC-id_116204225	277.834	FAOSADJXYFLTCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042450
C1C(=C(C#N)C#N)C2=C(C1=O)SC(=C2)Br	PC-id_154729262	277.915	XFSPCBVZUFKAMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042451
CC[C@H]1C(=C(C#N)C#N)C2=C(SC(=C2C1=O)C#N)C#N	PC-id_164119220	278.026	YDYLNOPRDUVQDC-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042452
C1c2cn(c(=O)n2C(S1)CP)Cc1ccccc1	PC-id_164007978	278.064	UORNESWOZKKLAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042453
c12COCc1nn(CCC)c2I	EMOLS-id_324399445,MCULE-1762815413	278.09	FQMFVEOICMVZFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042454
Cc1nn2c(c1I)OC(C2)(C)C	EMOLS-id_324017795	278.09	SJJVULCPPYOQJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042455
CCOc1nn2c(c1I)CCC2	PC-id_144958327	278.09	WDTCHGGZUNWMGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042456
IN1Cc2c(C1(C)C)n[nH]c2N	SCHEMBL18871786	278.094	SEQAZMYKAOVVCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042457
c1(C=O)c2CCCc2sc1I	EMOLS-id_331060264,MCULE-5869704759	278.11	VLUGBVAXTAHBCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042458
Clc1ccc(cc1Cl)/C=C/1Cn2c(C1=O)ccc2	PC-id_101843884	278.133	ZFYNLUSYVJTTOT-UXBLZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042459
Clc1ccc(c(c1)Cl)/C=C/1Cn2c(C1=O)ccc2	PC-id_139214885	278.133	NBBJJDKGFZHIEW-UXBLZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042460
CC1(C2=C(CN1C(=O)O)C=NN2NC(=O)C3CCC3)C	PC-id_161095877	278.138	UHUBBLKLUQTHAZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042461
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3CCC3)C	PC-id_162170518	278.138	ZNSLVGKJYJUYPL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042462
Ic1c2CC(Cc2sc1C)C	PC-id_12717966	278.153	QHIJIYXGXPZBBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042463
Brc1c2c([nH]c1C(C)C)CS(=O)(=O)C2	PC-id_84811356	278.166	LKPXHYXHMSCQSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042464
C[C@H]1CN([C@@H](CN1C(=O)N2C3=C(CNC3)C(=N2)N)C)C	PC-id_153837933	278.186	GBMPUFHWWXWCLQ-BDAKNGLRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042465
OC(=O)C1Cc2nnc(CNC(=O)C(F)(F)F)n2C1	EMOLS-id_331231022	278.188	CDDPEAMTWDSIDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042466
c1(C(=O)NC)c2CSCc2sc1Br	MCULE-7908956131,EMOLS-id_331062315	278.189	UYKQTBJEDUPGLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042467
c1(C(=O)NC)sc2CSCc2c1Br	EMOLS-id_330871363,MCULE-5147459048	278.189	CQSKDEVYCWAOLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042468
C=C[C@@H]1Cc2c(C1(F)F)n(nc2C(F)F)CC(=O)O	PC-id_145080740	278.203	PRGDXUCJGIIDQJ-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042469
CCCN(B(N(C1N(C)c2n(C1(C)C)ncn2)C)C)C	PC-id_144358423	278.205	IWNFTQLBVYAXSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042470
FC(F)(F)c1oc2CN(Cc2n1)C(=O)OC(C)(C)C	PC-id_83949617	278.228	QSKHDRZACCXEPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042471
c12CN(Cc1nn(CC(F)(F)F)c2CN)C(=O)OC	EMOLS-id_324349294,MCULE-8404443172	278.231	XKVCKSRRVFJFND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042472
c12CN(Cc1nn(CC(F)(F)F)c2N)C(=O)OCC	MCULE-9506948305,EMOLS-id_324341605	278.231	HQHWURKXJMGQMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042473
CC(C1CC(c2nc(nn12)C(=O)N(C)OC)F)(F)F	SCHEMBL20641057,PC-id_137408286	278.231	KNNFEOJZTHIHJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042474
CC([C@@H]1C[C@@H](c2nc(nn12)C(=O)N(C)OC)F)(F)F	PC-id_137408288,SCHEMBL20641059	278.231	KNNFEOJZTHIHJJ-WDSKDSINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042475
FC(F)(F)COC(=O)NC(c1n2CCCc2nn1)C	PC-id_63738684	278.231	QPVTZCLHLORHJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042476
FC(F)(F)COC(=O)N(Cc1n2CCCc2nn1)C	PC-id_65173575	278.231	GCNFQSKVQGNXIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042477
CC(C)(C)C(C)(C)C1=C2CCCN2N(C1=O)C(C)(C)C	PC-id_165373133	278.236	GTVGKOLJKJMWKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042478
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C(=O)N	MCULE-5606875812,PC-id_52427893,ZINC22_57316807,EMOLS-id_49865836	278.251	ZOEXULRZVLZOEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042479
CO/N=C/1C[C@@H](NC(=O)C(F)(F)F)c2ccsc12	CoCoCo_5749131,ZINC22_5822595,PC-id_92525601,NSC681954	278.251	CUWNZTWJLCDXCB-OLBUQCSJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042480
CO/N=C
/C[C@@H](NC(=O)C(F)(F)F)c2ccsc12	CoCoCo_5749134,ZINC22_16958888,PC-id_92281777	278.251	CUWNZTWJLCDXCB-BSMOAVCVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042481
CO/N=C/1C[C@H](NC(=O)C(F)(F)F)c2ccsc12	PC-id_92341301,ZINC22_5822594,CoCoCo_5749133	278.251	CUWNZTWJLCDXCB-CVGNGREPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042482
CO/N=C
/C[C@H](NC(=O)C(F)(F)F)c2ccsc12	ZINC22_8665757,PC-id_92281776,CoCoCo_5749132	278.251	CUWNZTWJLCDXCB-RVWPSRHISA-N	00000010100000000000000010000000000000000000000000000000	25-01-042483
s1c2c(C(NC(=O)C(F)(F)F)CC2=NOC)cc1	PC-id_387821	278.251	CUWNZTWJLCDXCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042484
s1c2c(C(NC(=O)C(F)(F)F)C/C/2=N/OC)cc1	PC-id_5469030	278.251	CUWNZTWJLCDXCB-CHHVJCJISA-N	00000010100000000000000010000000000000000000000000000000	25-01-042485
Fc1cc(C(=O)NCc2n3CCCc3nn2)ccc1F	PC-id_52024819	278.257	QPDMPLAEFYIAGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042486
Fc1cnc(c(c1)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320162375,MCULE-4954189160	278.257	ASYBPMZXQJENPV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042487
O=C(c1n[nH]c2c1CCC2)Nc1ccc(nc1)C(F)F	EMOLS-id_318956497	278.257	MJZZIOAECPWMBH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042488
O=C(NC1CCn2c1ncc2)Nc1cc(F)cc(c1)F	EMOLS-id_318895683	278.257	LQSSIURYCLIEHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042489
O=C(NCc1nnc2n1CCC2)c1cc(F)cc(F)c1	CoCoCo_4491069,EMOLS-id_16693787,MCULE-2757058548,PC-id_17505540,ZINC22_12995167	278.257	FHOZLVKRUYJTNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042490
CN1C(=O)C(CCC1=O)NC(=O)c1cc2n(n1)CCO2	MCULE-9734230286,EMOLS-id_102227739	278.264	JLRONEKDTCXFGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042491
CCc1nnn(c1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19619784	278.267	RCKYCVHEIRGLSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042492
O=C(NCc1n2CCCc2nn1)C1NC(=O)NC(=O)C1	PC-id_75770532	278.267	CQIOECWQDAFIQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042493
O=C(c1occ(c1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_104607339	278.284	YEBOKERGRCTUOA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042494
s1c2c(CCC2)c(c1NC(=O)c1nocc1)C(=O)O	PC-id_61801595	278.284	KGCXGBBKRFMDAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042495
s1c2CCCc2nc1NC(=O)c1oc(cc1)C(=O)O	PC-id_81604335	278.284	DRUNCDQIGJWJQE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042496
COc1nnc(cc1)C(=O)Nc1c2CSCc2no1	PC-id_90509485	278.287	BJFLVQPNIRMLTN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042497
[O-]C1NC(=O)CC(C1)C(=O)NCc1n2CCCc2nn1	PC-id_75770535	278.287	ZLMDVCXHKGMIRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042498
O=C(Cn1cnccc1=O)Nc1onc2c1CSC2	PC-id_121064272	278.287	XXUCNIUWCRLASR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042499
s1c2c(CCC2)c(c1NC(=O)c1n[nH]nc1)C(=O)O	PC-id_63283190	278.287	OHBBGIBOPLIBAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042500
s1c2CCCc2nc1NC(=O)c1nc[nH]c1C(=O)O	PC-id_65635736	278.287	CDPIQBGHVOPAMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042501
S1Cc2c(noc2NC(=O)c2nn(c(=O)cc2)C)C1	PC-id_45505349	278.287	OVMFABFNOVWGTO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042502
CC[C@@H]1[C@@H](c2c(C1(F)F)n(nc2C(F)F)C(C)C)C	SCHEMBL20078930,PC-id_134443739	278.289	QLXVJZPVULIYHF-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042503
C[C@H]1[C@H](C(c2c1c(nn2C(C)(C)C)C(F)F)(F)F)C	SCHEMBL19788964,PC-id_134186354	278.289	YUPRTNDFEGJSGB-NKWVEPMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042504
N#Cc1cn[nH]c1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700033	278.29	LUHAJRMDEFDDMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042505
c12C(C)CCc1nn(Cc1c(F)cc(cc1F)OC)c2	EMOLS-id_331000999,MCULE-9976986311	278.297	UIRGQUBCRZRZEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042506
CC1CCc2c1c(CO)nn2Cc1cccc(F)c1F	EMOLS-id_331006966,MCULE-3323235654	278.297	UFWSQWICYZYVIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042507
CC1CCc2c1c(CO)nn2Cc1ccc(F)cc1F	EMOLS-id_331009269,MCULE-8433780435	278.297	ICWVVYFTRWXWRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042508
CC1CCc2c1c(CO)nn2Cc1ccc(F)c(F)c1	MCULE-8661425674,EMOLS-id_331009013	278.297	YHCMCEUWFXMOFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042509
CC1CCc2c1c(CO)nn2Cc1cc(F)ccc1F	MCULE-7944761126,EMOLS-id_331007478	278.297	RWRLGNQYRWMEEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042510
CC1CCc2c1c(CO)nn2Cc1cc(F)cc(F)c1	MCULE-7840809144,EMOLS-id_331009526	278.297	ZRUVRPVCXJFUCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042511
CC1CCc2c1c(CO)nn2Cc1c(F)cccc1F	EMOLS-id_331007222,MCULE-8238822915	278.297	XIOLIOAKBLROFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042512
CC1CCc2c1c(O)nn2Cc1c(C)cc(F)cc1F	MCULE-5523246198,EMOLS-id_330958837	278.297	YYDCFUNOVFUPQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042513
CC1CCc2c1c(O)nn2Cc1ccc(F)c(F)c1C	MCULE-8614428556,EMOLS-id_330958581	278.297	HFNSWBBCYDEGMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042514
CC1CCc2c1c(O)nn2Cc1cc(F)cc(F)c1C	EMOLS-id_330958325,MCULE-1672392343	278.297	HTWOOMSQMOOVIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042515
CC1CCc2nn(Cc3cccc(F)c3F)c(CO)c12	EMOLS-id_330989745,MCULE-4006463753	278.297	RZTJGLGISQKHBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042516
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(O)c12	EMOLS-id_331009186,MCULE-2919624152	278.297	YDYDPWTUISLHTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042517
CC1CCc2nn(Cc3ccc(F)cc3F)c(CO)c12	MCULE-1157285382,EMOLS-id_330992048	278.297	LSVJXMZLTQVZCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042518
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(CO)c12	EMOLS-id_330991792,MCULE-8779309120	278.297	LHJVOTUVRJYZGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042519
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(O)c12	MCULE-1271716165,EMOLS-id_331008930	278.297	RLYADDONFSDXQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042520
CC1CCc2nn(Cc3cc(F)ccc3F)c(CO)c12	EMOLS-id_330990257,MCULE-5952276533	278.297	PTEKFIHBMRCYFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042521
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(CO)c12	MCULE-3024581793,EMOLS-id_330992305	278.297	GLSJFMJPKKYCID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042522
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(O)c12	MCULE-9692162845,EMOLS-id_331008674	278.297	RXJYJUJNMXVSHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042523
CC1CCc2nn(Cc3c(F)cccc3F)c(CO)c12	MCULE-6690270262,EMOLS-id_330990001	278.297	KCWIJWXKVCKZII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042524
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1O	MCULE-5390903372,EMOLS-id_331006376	278.297	OFOQASXYPWRYHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042525
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1O	EMOLS-id_331009701,MCULE-2454750502	278.297	NUDFBHQUAWTZOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042526
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1O	MCULE-3831011727,EMOLS-id_331009957	278.297	VCHBTFHDNHGEDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042527
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1O	EMOLS-id_331006120,MCULE-2744379075	278.297	JQKWXAIBTUNVJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042528
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1O	MCULE-8573724825,EMOLS-id_331009959	278.297	VDDDYBCEDKFWSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042529
CCOc1cc(F)c(c(c1)F)Cn1ncc2c1CCC2	PC-id_141384478	278.297	PITYPDUUVJTURT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042530
COc1cc(F)c(Cn2ncc3C(C)CCc23)c(F)c1	EMOLS-id_331015146,MCULE-4708684400	278.297	JSTMXDPTIUAURR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042531
c12CN(Cc1nn(CC(F)F)c2N)Cc1ccccc1	EMOLS-id_324341606,MCULE-1985470552	278.3	PZGSOZWJNXNVAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042532
CC1CC(c2n1ncn2)Nc1ccccc1C(F)(F)C	MCULE-5815521791,EMOLS-id_318736352	278.3	ZKLSQHMSEMDRPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042533
CC1CC(c2n1ncn2)NCC(c1ccccc1)(F)F	EMOLS-id_318724449,MCULE-8206077241	278.3	ZPRPJJIOUKOTRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042534
CC(c1ccc(c(c1)F)F)NCc1nnc2n1CCC2	EMOLS-id_318591786,MCULE-5106374274	278.3	SNPGXQMOQLWTMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042535
CC(c1c(F)cccc1F)NC1CC(n2c1ncn2)C	EMOLS-id_318458936,MCULE-8544222115	278.3	ONCBYSWOHQCJQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042536
CC(c1nnc2n1CCC2)NCc1cccc(c1F)F	MCULE-9445947888,PC-id_63668753,EMOLS-id_317958765	278.3	UCUGBLGAVYZMSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042537
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)F)F	MCULE-9557970625,PC-id_43433212,EMOLS-id_317964408	278.3	NAOIFJGLCFIQBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042538
CC(c1nnc2n1CCC2)NCc1c(F)cccc1F	PC-id_43748063,EMOLS-id_177238515	278.3	VYCFKQPTBVGRJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042539
Fc1cccc(c1CCNC1CC(n2c1ncn2)C)F	MCULE-3286103704,EMOLS-id_318551348	278.3	BLQQCDZFWQAEMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042540
Fc1ccc(c(c1)C(NCc1nnc2n1CCC2)C)F	MCULE-2523677078,EMOLS-id_318509120	278.3	BCYDSLJIUYSTBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042541
Fc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)F	MCULE-2565727634,EMOLS-id_317938838,PC-id_43748046	278.3	UIQIJRASWWNJHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042542
Fc1cccc(c1F)CCNC1CC(n2c1ncn2)C	MCULE-3781717091,EMOLS-id_318378445	278.3	MUSIPGUBFCMEBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042543
Fc1ccc(c(c1)F)[C@H](NC1CC(n2c1ncn2)C)C	EMOLS-id_318608121	278.3	LPSHBMKPUBZNKV-XQVHRTOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042544
Fc1ccc(c(c1)F)[C@@H](NC1CC(n2c1ncn2)C)C	MCULE-5663341330,EMOLS-id_318524078	278.3	LPSHBMKPUBZNKV-JVVWGOMOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042545
Fc1ccc(c(c1)F)CNC(c1nnc2n1CCC2)C	EMOLS-id_317950035,MCULE-2379209711,PC-id_43433227	278.3	GZCDXYFCFJLHHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042546
Fc1cc(cc(c1)F)C(NCc1nnc2n1CCC2)C	EMOLS-id_318549720,MCULE-7118029784	278.3	VFKAVSAPNJDVSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042547
Fc1ccc(c(c1)F)C(NCc1nnc2n1CCC2)C	MCULE-8074492885,EMOLS-id_318729615	278.3	LBFFSQVPKSQSHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042548
Fc1cc(CCNC2CC(n3c2ncn3)C)cc(c1)F	EMOLS-id_318441139,MCULE-6405949400	278.3	MWFAGEPKNMIPTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042549
Fc1cc(CNC(c2nnc3n2CCC3)C)cc(c1)F	MCULE-7472687414,PC-id_103851207,EMOLS-id_317961656	278.3	JUBWJPYQEADKJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042550
FC(c1cccc(c1)CNC1CC(n2c1ncn2)C)F	MCULE-3549114068,EMOLS-id_318718022	278.3	MDMULKQLVKGGCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042551
Fc1ccc(c(c1)O)C(=O)Nc1sc2c(n1)CCC2	PC-id_103829695	278.302	XJAMUVVAHHKOMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042552
Oc1ccc(c(c1)F)C(=O)Nc1sc2c(n1)CCC2	PC-id_104928328	278.302	KBHSKIHOKUGEFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042553
O=C(c1c(O)cccc1F)Nc1sc2c(n1)CCC2	PC-id_104916993	278.302	WSXHETBAWBSGHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042554
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)F	PC-id_104287581	278.302	XNUONJUKVUECLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042555
OC(=O)C1CCc2c1nc(s2)Nc1ccccc1F	PC-id_104287604	278.302	MVQOBPSJPRSZBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042556
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)F	PC-id_113395660	278.302	AFXUSXSQTXVMQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042557
s1c2CCCc2nc1Nc1c(cccc1F)C(=O)O	PC-id_55101725	278.302	YWGTWVVOWIMADM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042558
s1c2CCCc2nc1NC(=O)c1c(O)ccc(F)c1	PC-id_79883591	278.302	IQLZOMHHUJIENH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042559
S1Cc2c(noc2NC(=O)Cc2ccc(F)cc2)C1	PC-id_49720089	278.302	JDJXJNSZEVPTDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042560
NC(=O)C1(NC(=O)c2occ3c2CCC3)CCOCC1	ZINC22_671778974,MCULE-7680435267,EMOLS-id_316525921	278.304	ZUJIGTXSBWUTEN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042561
c1(NC(=O)Cc2ccc(cc2)F)nnc2SCCn12	EMOLS-id_16349473,CoCoCo_2590528,ZINC22_8600617,PC-id_16031431,MCULE-2524347480	278.305	FYHBJIGNPRCOGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042562
Fc1cnc(c(c1)C(=O)Nc1sc2c(n1)CCC2)N	PC-id_108070436	278.305	LGOLOLDKALOFOB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042563
O=C(c1ccnc(c1F)N)Nc1sc2c(n1)CCC2	PC-id_105385741	278.305	GESDIZCLNAXRRA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042564
c12CN(Cc1nn(CC1CC1)c2C(=O)NC)C(=O)OC	EMOLS-id_324352365,MCULE-1371055253	278.307	FWTJUXQDDIPGTM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042565
c12CN(Cc1nn(CC1CCC1)c2C=NO)C(=O)OC	MCULE-2444703918,EMOLS-id_324357228	278.307	NVWQTGSHTUSMTQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042566
c12CN(Cc1nn(CC)c2C(=O)NC1CC1)C(=O)OC	MCULE-2703265320,EMOLS-id_324354405	278.307	LQTFZHOKBUDGKV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042567
c1(c2CCCc2[nH]n1)C(=O)N1CCN(C(C(=O)O)C1)C	PC-id_56721335,EMOLS-id_36463215,MCULE-8928560079	278.307	LJFRRDRZIRLZLJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042568
C1CCC(C1)C(=O)NCc1nnc2n1C(CC2)C(=O)O	PC-id_134791148	278.307	SXLHBIVPMRTPEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042569
c1(CN(C)C(=O)CN2CCOC2=O)c2CCCc2[nH]n1	MCULE-7166029481,ZINC22_244773793,PC-id_91836006,EMOLS-id_55654950	278.307	PGRBYYJLHBKZQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042570
c1(C(=O)NCCN2CCCOC2=O)c2CCCc2n[nH]1	PC-id_119064344,ZINC22_426484837,EMOLS-id_82715377,MCULE-6300305045	278.307	QOKXFGNDSHSYIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042571
C=CCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319541968	278.307	JDCKNKXWLOHDAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042572
C=CC(NC(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319555034	278.307	RGFCCLBMTZQABC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042573
CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1C(=O)O	PC-id_95227949,ZINC22_67954824	278.307	LJFRRDRZIRLZLJ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-042574
CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C(=O)O	ZINC22_67954822,PC-id_95227948	278.307	LJFRRDRZIRLZLJ-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042575
Cn1nc(CN2CCCC2=O)c2c1CN(C(=O)CO)C2	PC-id_97519157,EMOLS-id_44369682,ZINC22_96259067	278.307	QVGTYJYBRKWNKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042576
CNC(=O)C1CCCC1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99567697	278.307	IDKBTJQBEDCROM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042577
COC(=O)c1c(NC(=O)N2CCCC2)nc2n1CCC2	EMOLS-id_319704604	278.307	OUPGWKQFXBQVBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042578
O=C1N=Cc2c1c(Br)n(c2O)Br	PC-id_145846316	293.9	RZYIQKJZBIKIIL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-054577
COC(=O)c1c(NC(=O)NC2CCC2)nc2n1CCC2	EMOLS-id_319066241	278.307	HYXFWGYLQMQDFH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042579
COC(=O)c1c(NC(=O)NCC2CC2)nc2n1CCC2	EMOLS-id_319037259	278.307	OKYJXCFAJGLOIJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042580
COC(=O)c1c(NC(=O)NCC(=C)C)nc2n1CCC2	EMOLS-id_319235078	278.307	AFHPFTZYHCKHJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042581
COC(=O)/C=C/CNC(=O)[C@@]1(C)CCn2c(C)nnc12	ZINC22_1875333189	278.307	HIZMVVGSNIULGU-IHVVCDCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042582
COC(=O)/C=C/CNC(=O)[C@]1(C)CCn2c(C)nnc12	ZINC22_1875333190	278.307	HIZMVVGSNIULGU-MUBLQREKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042583
O=C(C1CCC1)Nc1n(nc2c1CNC2(C)C)C(=O)O	SCHEMBL4531673,PC-id_69080872	278.307	NQIGERLMRRHBML-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042584
OCC1CC(c2n(ncc12)C)CN1CCC(=O)NC1=O	PC-id_73202745	278.307	FMADJEQVSFHAPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042585
O=C(C1OCCN(C1=O)C)NC1CC(n2c1ncc2)C	EMOLS-id_316564822	278.307	LMZGRJCPOMXMDZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042586
O=C(C1OCCN(C1=O)C)NCc1cnc2n1CCC2	EMOLS-id_319751276	278.307	ZOAXMSFIAMYLKA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042587
O=C([C@@H](NC(=O)c1nn2c(c1)OCC2)C)N1CCCC1	EMOLS-id_99619406	278.307	HCVJMJAYJNJINZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-042588
O=C(N1CCOCC1)CCC(=O)N1CCn2c1ncc2	EMOLS-id_279043967	278.307	LZUBSEWJGZNNKT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042589
O=C(N1CCOCC1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110834303	278.307	PWKAEEUSTPTOIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042590
O=C(NC(c1n2CCCc2nn1)C)/C(=C(/C)C(=O)O)/C	PC-id_63270131	278.307	MIHZGBGQPDOBFG-FPLPWBNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042591
O=C(N(Cc1n2CCCc2nn1)C)/C(=C(/C)C(=O)O)/C	PC-id_63270588	278.307	JBUJKWQFPMRUOO-HJWRWDBZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042592
O=C(NC(c1n2CCCc2nn1)C)C(=C(C)C(=O)O)C	PC-id_76992642	278.307	MIHZGBGQPDOBFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042593
O=C(N(Cc1n2CCCc2nn1)C)C(=C(C)C(=O)O)C	PC-id_76993098	278.307	JBUJKWQFPMRUOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042594
O=C(NOCCN1CCCC1=O)[C@H]1CCc2c[nH]nc12	ZINC22_1875274449	278.307	WWGIHQVVYZKSKO-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-042595
O=C(NOCCN1CCCC1=O)[C@@H]1CCc2c[nH]nc12	ZINC22_1875274450	278.307	WWGIHQVVYZKSKO-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042596
O=C1CNC(CN1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_107434097	278.31	ZIFRDJVYOHDQFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042597
O=C1CNC(CN1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_107435295	278.31	BRGLFYGBWKDGOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042598
Fc1ccc(c(c1)CC(=O)c1sc2c(c1)CCC2)F	PC-id_113656174	278.317	PZZJXEUXFRLXEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042599
Fc1ccc(c(c1C(=O)c1sc2c(c1)CCC2)F)C	PC-id_115794363	278.317	KRLMWFYJXYLPHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042600
Fc1cc(cc(c1)F)CC(=O)c1sc2c(c1)CCC2	PC-id_113713842	278.317	QAGXYBQBTZCMOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042601
O=C(c1ccc(c(c1F)F)C)c1sc2c(c1)CCC2	PC-id_107515085	278.317	QLUIDTHUMAWTIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042602
s1c2CCCc2cc1C(=O)c1cc(c(F)cc1F)C	PC-id_79731717	278.317	ZBZMJLKKNOPBCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042603
s1c2CCCc2cc1C(=O)c1c(F)cc(c(F)c1)C	PC-id_80115812	278.317	AJDJVLTVSOEZLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042604
s1c2CCCc2cc1C(=O)Cc1cc(F)c(F)cc1	PC-id_80379021	278.317	LCNMLAAMYKPMNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042605
s1c2CCCc2cc1C(=O)Cc1c(F)cccc1F	PC-id_80378683	278.317	PSRSZIODYLUIHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042606
s1c2CCCc2cc1C(=O)Cc1c(F)cc(F)cc1	PC-id_80388896	278.317	CPDUBGDEXKROSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042607
s1c2CCCc2cc1C(=O)Cc1c(F)c(F)ccc1	PC-id_80114148	278.317	RFQIQZQTRGPATA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042608
COC(=O)c1ccc(o1)C(c1sc2c(c1)CCC2)O	PC-id_106947025	278.324	HISJCTBPOQSYQP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-042609
c1(NC(=O)CCC(=O)OC)sc2c(CCC2)c1C#N	PC-id_23790221,EMOLS-id_182642637,MCULE-2846173132	278.327	OTNZJOLLTJZFQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042610
c1(NC(=O)CC#N)sc2c(CCC2)c1C(=O)OCC	MCULE-7835449511,EMOLS-id_29546489,CoCoCo_6804468,ZINC22_6047344,PC-id_4449650,TIMTEC238769	278.327	JIHSEENGKXWTIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042611
Cc1oc(CO)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1821910,PC-id_56668691	278.327	VQRTUJMIHWRPOZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042612
CC(C)(C(=O)O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8674708268,EMOLS-id_327990799	278.327	QOVRGUUXPRXPIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042613
CCOC(=O)CC(=O)Nc1sc2CCCc2c1C#N	MCULE-9328524594,EMOLS-id_328114984	278.327	CCEMGWLHVPIGEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042614
OC(c1ccco1)CNC(=O)c1sc2c(n1)CCC2	EMOLS-id_316913805,MCULE-6242125078	278.327	IYGZYZKMDLRTAX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042615
O=C(c1occ2c1CCC2)NCC(c1cncs1)O	EMOLS-id_319318396	278.327	BXJDTIWEMOKZOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042616
O=C(NC[C@@H](O)c1ccco1)c1nc2c(s1)CCC2	ZINC22_841404161	278.327	IYGZYZKMDLRTAX-SECBINFHSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042617
O=C(NC[C@H](O)c1ccco1)c1nc2c(s1)CCC2	ZINC22_841404162	278.327	IYGZYZKMDLRTAX-VIFPVBQESA-N	00000010101000000001000010000000000000000000000000000000	25-01-042618
OC(=O)C1CCc2c1nc(s2)NC(c1ccco1)C	PC-id_104287890	278.327	IUKUREIEBHHQSZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042619
OC(=O)C1CCc2c1nc(s2)N(Cc1ccco1)C	PC-id_104287906	278.327	HRMGDAQRJVHPPM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042620
OC(=O)C1CCc2c1nc(s2)NCc1ccc(o1)C	PC-id_113395768	278.327	BMPYRVXPGKPHGG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042621
OC(=O)C1CCc2c1nc(s2)N(Cc1cocc1)C	PC-id_104288350	278.327	CDDVKXQQGPSRMQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042622
Ic1sc2CCC(c2n1)C(=O)O	PC-id_58125144,SCHEMBL1155509	295.098	MJLZXQDCTDQNSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055289
OC(=O)C1CCc2c1nc(s2)NCCc1ccco1	PC-id_104288206	278.327	BOCBGFRXKWHHGQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042623
OC(=O)c1noc(c1)CNCc1sc2c(c1)CCC2	PC-id_103242953	278.327	PKPNKOOTXAQGOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042624
OC(=O)C1Oc2c(C1C)c(n(n2)Cc1cccs1)C	SCHEMBL9584161,PC-id_67883697	278.327	QSBRJKDEBDZHRG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042625
s1c2c(CCC2)cc1CNCc1oc([N+](=O)[O-])cc1	PC-id_61206660	278.327	HXWGTNKTNLROLU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-042626
s1c2c(CCC2)cc1C(=O)N1C(C(=O)NC(=O)C1)C	PC-id_66060999	278.327	BYVIDTMMSYDSOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042627
s1c2CCCc2cc1C(=O)NC1CCC(=O)NC1=O	PC-id_65953887	278.327	LQAMTOAQMLRJOD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042628
s1c2CCCc2cc1C(=O)OCC(=O)NCCC#N	PC-id_45637920	278.327	IIXSYGBXDSMBFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042629
s1c2CCCc2c(c1NC(=O)CCCC(=O)O)C#N	PC-id_40521340	278.327	PJKJKYKETNUHIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042630
s1c2CCCc2c(c1NC(=O)COC(=O)CC)C#N	PC-id_7851205	278.327	PBLFXNZQKBRBHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042631
s1c2CCCc2nc1C(N)c1c(O)c(O)c(O)cc1	PC-id_83348609	278.327	LYELGEQLNUBXAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042632
S(=O)(=O)(Nc1onc2c1CCC2)c1ccc(cc1)C	PC-id_58664472	278.327	YGJSUOOKMRRSOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042633
c1(cn(nc1OC)C)C(=O)Nc1sc2c(CCC2)n1	MCULE-8824578481,PC-id_49670342,EMOLS-id_30776683,ZINC22_42381261	278.33	MKYCLEDOQHVHLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042634
c1(NC(=O)c2c(C)noc2C)n(C)nc2CSCc12	ZINC22_606675042,PC-id_134699155,MCULE-1364427836,EMOLS-id_316156342	278.33	NAMOPRLHBCYQBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042635
c1(NC(=O)c2oc(nc2C)C)n(C)nc2CSCc12	PC-id_134713862,MCULE-5844434712,EMOLS-id_316222226,ZINC22_1529195297	278.33	IGQVZGGQYKUZKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042636
c1(NC(=O)Cc2cc(no2)C)n(C)nc2CSCc12	MCULE-9784987314,EMOLS-id_316257866,ZINC22_1506419819	278.33	KFJOQZYRDWCIGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042637
C1(=NNC(=O)C1)C(=O)NCCc1sc2c(CCC2)n1	PC-id_110467898,EMOLS-id_181162464,MCULE-8602651971	278.33	BWCKYLSXXXDFLU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-042638
Cc1cccc(n1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477431	278.33	NLHFDFJRMRRGIH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042639
Cc1ccc(cn1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97704092	278.33	JYHFJBUXNIDQGA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042640
Cc1ccc(nc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477434	278.33	UFRIKLBJZXUDJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042641
Cc1ccnc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477413	278.33	XWXMNKVEZOJBAX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042642
Cc1ccncc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477491	278.33	VKJMUBDUAPOAEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042643
Cc1cc(on1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99819145	278.33	BWEHXZHSFFBHNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042644
Cc1cncc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705358	278.33	APRFTXFUDZJLQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042645
Cc1c(sc(n1)CNC(=O)c1nn2CCOc2c1)C	PC-id_91959799	278.33	NVLPFULXILDEOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042646
Cc1ncccc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700009	278.33	AWWMVYJIGBYZFL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042647
CCc1nc(c(s1)NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99603001	278.33	IBZHIEXATLSJTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042648
C([C@H](N)C(=O)Nc1sc2CCCc2c1C#N)C(=O)N	EMOLS-id_328057840,MCULE-8235096374	278.33	NAVMWHFPXRSYBZ-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042649
CCn1ccc(n1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_114250618	278.33	IJHDFNUREHHNBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042650
CCn1ncc(c1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287937	278.33	SAGCFIRNBRPOJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042651
CCOc1n[nH]c(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_104817550	278.33	CWUFLCMNKBMQLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042652
CCOC(=O)C1CCc2c1nc(s2)Nc1c[nH]nc1	PC-id_104287916	278.33	RRHFJGOSZUZVDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042653
Cn1cc(c(n1)NCc1sc2c(c1)CCC2)[N+](=O)[O-]	PC-id_103079776	278.33	OKWPTDQCUWAVBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042654
Cn1nc2c(c1NS(=O)(=O)c1ccncc1)CCC2	EMOLS-id_319536746	278.33	AUILNXQRSRUGDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042655
CN1N=C(C(=O)Nc2nc3c(s2)CCC3)CCC1=O	CoCoCo_4319552,ZINC22_25768927,MCULE-5612341445,EMOLS-id_31858519,PC-id_33040625	278.33	BMEXXKZQNOEUNE-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-042656
COc1nscc1NC(=O)c1n(C)nc2c1CCC2	MCULE-7168428754,EMOLS-id_320133973	278.33	JLCCQRRVCUPTPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042657
C(=O)(CN)NCC(=O)Nc1sc2CCCc2c1C#N	PC-id_61260578,EMOLS-id_327942524,MCULE-9660335942	278.33	FCLNTFWRDZKAQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042658
CS(=O)(=O)c1ccc(nc1)NC1Cn2c(C1)cnc2	PC-id_146140572	278.33	RUPVUICICKGBTO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042659
CS(=O)(=O)c1ccc(N[C@@H]2Cc3cncn3C2)nc1	ZINC22_1647476550	278.33	RUPVUICICKGBTO-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042660
CS(=O)(=O)c1ccc(N[C@H]2Cc3cncn3C2)nc1	ZINC22_1647476552	278.33	RUPVUICICKGBTO-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-042661
n1(CC(=O)NCc2ccco2)nc2c(CSC2)c1N	MCULE-3689129175,ZINC22_26422004,PC-id_33677828,CoCoCo_5090353,EMOLS-id_27513009	278.33	LTGFTMYIAWGHON-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042662
N#CC1(CCSCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99799121	278.33	WFGXMHVLUCGYPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042663
N#Cc1c(NC(=O)C2CCCCO2)nc2n1CCS2	EMOLS-id_100927488	278.33	UKKZCNLMSZTKMD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042664
N#Cc1c(NC(=O)C2(C)CCCO2)nc2n1CCS2	EMOLS-id_111948199	278.33	UISHPTCKOKUBQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042665
N#Cc1c(NC(=O)C2CCCOC2)nc2n1CCS2	EMOLS-id_99351214	278.33	ZQIWSMNIVZJUSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042666
N#Cc1c(NC(=O)C2CCOCC2)nc2n1CCS2	EMOLS-id_98898412	278.33	CCYDCHPFNUGZRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042667
N#Cc1c(NC(=O)C2COC(C2)C)nc2n1CCS2	EMOLS-id_101122572	278.33	GWZVIIVUMJMKTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042668
N#Cc1c(NC(=O)CC2COCC2)nc2n1CCS2	EMOLS-id_99534660	278.33	IOYAIGIDSJVISH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042669
O=c1n(C)cc(n1C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_316477436,MCULE-3576923661	278.33	BRJAOGQMLGPUKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042670
O=c1[nH]nc([nH]1)CN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_318818992	278.33	ZPOIWAYYQPDFHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042671
O=C(c1cnc2n1CCC2)NCC(c1cncs1)O	EMOLS-id_319693821	278.33	HSVPWRHBNWTNNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042672
O=C(c1cnn2c1CCC2)NCC(c1cncs1)O	EMOLS-id_318943993	278.33	HANGWGIAPCSIJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042673
O=C(c1nn2c(c1)CCC2)NCC(c1cncs1)O	EMOLS-id_319102612	278.33	GHDWZWRENBOFPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042674
OCc1nnc([nH]1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319730366	278.33	MKJLZYXRRZDHDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042675
O=C(c1ocnc1C)NCCc1cn2c(n1)SCC2	EMOLS-id_99823675	278.33	UGVULHPGSQHECP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042676
OCc1scc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318953669	278.33	ULXVAWZXJULAMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042677
OC[C@H](c1nc[nH]n1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319564429	278.33	XLEYOGFLKQAEHX-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042678
OCCn1ncc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319443877	278.33	DORPEXSYFXBLQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042679
O=C(COc1nscc1)NCc1cnc2n1CCC2	EMOLS-id_318904672	278.33	IVJFBMXSHJRMHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042680
O=C(COc1nscc1)NCc1n[nH]c2c1CCC2	MCULE-9847434247,EMOLS-id_320270376	278.33	HNVASORZDDMRJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042681
O=C(Nc1ncc(CCO)s1)c1cnc2n1CCC2	PC-id_145907224,ZINC22_614914264,MCULE-5731618528,EMOLS-id_320371557	278.33	FPKJAPOMSWHHFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042682
O=C(Nc1sc2c(n1)CCC2)NCc1cnoc1C	EMOLS-id_319813289	278.33	AARRUNYMJISMRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042683
O=C(Nc1sc2c(n1)CCC2)NCc1nocc1C	EMOLS-id_319051783	278.33	CECWUFRVKHTIIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042684
OC(=O)C1CCc2c1nc(s2)Nc1cc(nn1C)C	PC-id_113395715	278.33	MDNAOBUZXRTWTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042685
OC(=O)C1CCc2c1nc(s2)Nc1c(C)n[nH]c1C	PC-id_113395705	278.33	QQLKTCLFJSUVST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042686
OC(=O)C1CCc2c1nc(s2)Nc1cn(nc1C)C	PC-id_102807736	278.33	NGFIMKRQNDYYLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042687
OC(=O)C1CCc2c1nc(s2)Nc1nn(c(c1)C)C	PC-id_114254079	278.33	CHUADURVPQDMNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042688
OC(=O)C1CCc2c1nc(s2)NCc1ccnn1C	PC-id_104288830	278.33	JQBGUQLRWSSSPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042689
OC(=O)C1CCc2c1nc(s2)NCc1ccn(n1)C	PC-id_104289198	278.33	NOIHZLDZWZVJTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042690
OC(=O)C1CCc2c1nc(s2)N(Cc1c[nH]nc1)C	PC-id_104288824	278.33	PBOUEWYTSLBDTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042691
OC(=O)C1CCc2c1nc(s2)NC(c1c[nH]nc1)C	PC-id_106218814	278.33	QUKHGEISXOQCKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042692
OC(=O)C1CCc2c1nc(s2)NCc1cnn(c1)C	PC-id_104288365	278.33	PLDLVQSODVNRNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042693
OC(=O)C1CCc2c1nc(s2)NCc1cn[nH]c1C	PC-id_104288491	278.33	BEIWBHLWJSGIIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042694
OC(=O)C1CCc2c1nc(s2)NCc1nccn1C	PC-id_104288809	278.33	AUBIVTVQVALGKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042695
OC(=O)C1CCc2c1nc(s2)N(Cc1ncc[nH]1)C	PC-id_104288929	278.33	ICNDJKVKJVMAGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042696
OC(=O)C1CCc2c1nc(s2)NC(c1ncc[nH]1)C	PC-id_116341198	278.33	WPFJZXPVKDJWAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042697
OC(=O)C1CCc2c1nc(s2)NCCc1cnc[nH]1	PC-id_113395796	278.33	JQFJLMZLJMEVFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042698
OC(=O)C1CCc2c1nc(s2)NCCc1ncc[nH]1	PC-id_113506202	278.33	GFGOIFMJFUDXOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042699
OC(=O)C1CCc2c1nc(s2)NCCn1cccn1	PC-id_104288470	278.33	NHLMWWFAHBVTKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042700
OC(=O)C1CCc2c1nc(s2)NCCn1cncc1	PC-id_104288527	278.33	OUGWPEIRNFYJCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042701
O=S(=O)(c1ccccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319003382	278.33	GCZCXYIUBNTBAF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042702
O=S(=O)(c1cccnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320050101,MCULE-2753148896	278.33	DGZWZGOQGLMDED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-042703
s1c2c(CCC2)cc1CNc1n(cnc1[N+](=O)[O-])C	PC-id_61208193	278.33	LPOUGYRBOMSSAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042704
s1c2c(CCC2)c(c1NC(=O)C(N)CC(=O)N)C#N	PC-id_61260759	278.33	NAVMWHFPXRSYBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042705
s1c2CN(Cc2nc1N)CC(=O)NCc1occc1	PC-id_82194265	278.33	QQNLHSVXZXBCFL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042706
c1(C(=O)NCCc2nnc(N)s2)c2CCCc2[nH]n1	PC-id_56708816,ZINC22_67784159,MCULE-6384843424,EMOLS-id_36437448	278.333	PMNSZNDTHXLTTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042707
c1(C(=O)NCCSc2cnn[nH]2)c2CCCc2[nH]n1	EMOLS-id_49867800,MCULE-7076725470,PC-id_77079355,ZINC22_215015522	278.333	BXSBXJLEMGVMKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042708
c1(C(=O)NCCSc2[nH]ncn2)c2CCCc2[nH]n1	MCULE-3095867105,ZINC22_67966189,PC-id_56721943,EMOLS-id_36464465	278.333	YHYGQOJNSLRODR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042709
c1(NC(=O)CCn2cnnc2)n(C)nc2CSCc12	ZINC22_1529120877,PC-id_134700945,EMOLS-id_316202684,MCULE-5937381710	278.333	QWUPYOHEWQJTEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042710
Cc1nnc2CC(CNC(=O)c3csc(N)n3)Cn12	PC-id_137334638,EMOLS-id_317502337,MCULE-3825169399	278.333	RJDYRSPGIBCQNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042711
Cc1nnc2n1C[C@@H](CNC(=O)c1csc(N)n1)C2	ZINC22_1772707376	278.333	RJDYRSPGIBCQNE-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042712
Cc1nnc2n1C[C@H](CNC(=O)c1csc(N)n1)C2	ZINC22_1772707382	278.333	RJDYRSPGIBCQNE-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042713
Cc1nsnc1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1775982361	278.333	UDLXBFUKUCJCOL-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042714
Cc1nsnc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1775982363	278.333	UDLXBFUKUCJCOL-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042715
CCc1nnsc1C(=O)NCc1nnc2n1CCC2	ZINC22_40490021,CoCoCo_4658157,PC-id_45806286,MCULE-2454333521,EMOLS-id_31878668	278.333	IBUJIQKHPAQQQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042716
n1(CC(=O)NCCc2sc3c(CCC3)n2)ncnn1	PC-id_118788860,EMOLS-id_68927805,ZINC22_299792926,MCULE-9056823145	278.333	HPCQUPSDTCSLNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042717
NCc1nnn(c1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_115459679	278.333	AESYIUXRPRVYLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042718
O=C(c1nsnc1C)NCC1Cc2n(C1)c(nn2)C	PC-id_138808978,EMOLS-id_317853421,MCULE-3691461538	278.333	UDLXBFUKUCJCOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042719
O=C(Nc1n(C)nc2c1CCC2)Cc1nnc(s1)N	EMOLS-id_319313431	278.333	TUQWRNOWOGRAOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042720
O=C(Nc1sc2c(n1)CCC2)CCCc1[nH]nnn1	EMOLS-id_319781516	278.333	ZSSLBOREFHYDRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042721
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cn1cnnn1	EMOLS-id_102178685	278.333	NQPCBKNTLGDGEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042722
O=C(Nc1sc2c(n1)C(CC2)(C)C)Nc1c[nH]nn1	MCULE-4275199086,EMOLS-id_320115664	278.333	CPSNEMKPMXMDSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042723
s1c2CCCc2nc1NC(=O)c1nnn(CCN)c1	PC-id_65945917	278.333	XBQHCMPNOWOEFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042724
s1cc(nc1N)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_62788249	278.333	HFTMKEBMDKPPEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042725
s1cc(nc1N)C(=O)NC(c1n2CCCc2nn1)C	PC-id_62789253	278.333	OZHKDHRZCORKNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042726
FC(CCCC(c1sc2c(n1)CCC2)(N)C)(F)F	PC-id_116535722,EMOLS-id_315010365	278.337	RTNSSKRRCUEHLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042727
NNC(c1sc2c(c1)CCC2)CCCC(F)(F)F	PC-id_105328926	278.337	CFUDQILQDZKWBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042728
COc1cccc(c1F)C(c1sc2c(c1)CCC2)O	PC-id_115828508	278.342	WNWSAPAREDUUKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042729
s1c2c(CCC2)cc1C(O)c1cc(F)c(OC)cc1	PC-id_61080910	278.342	RTDNJCJVMOIKEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042730
s1c2c(CCC2)cc1C(O)c1c(F)cc(OC)cc1	PC-id_61082089	278.342	JCZKNRIHDLTXHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042731
s1c2c(CCC2)cc1C(O)c1c(OC)ccc(F)c1	PC-id_61087817	278.342	FZQVQRXMWUYYSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042732
c1(C(N)c2ccc(c(F)c2)OC)sc2c(CCC2)n1	MCULE-4299125223,PC-id_65096599	278.345	ICJSGZVLAWYYOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042733
COc1cc(NCc2sc3c(n2)CCC3)ccc1F	MCULE-9969038379,EMOLS-id_318328868	278.345	PKCCVFGURFFOJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042734
s1c2CCCc2nc1C(N)c1cc(OC)c(F)cc1	PC-id_83348636	278.345	BBYRKXFTDZABFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042735
s1c2CCCc2nc1C(N)c1c(F)cc(OC)cc1	PC-id_83348637	278.345	GEXRHCUIEKIJIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042736
s1c2CCCc2nc1C(N)c1c(OC)c(F)ccc1	PC-id_83348645	278.345	HHYQQPOPAUSMCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-042737
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1CCCOC1	EMOLS-id_330970803,MCULE-5833845258	278.347	QXXLDCAEWMMPBM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042738
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1CCOCC1	MCULE-7562342641,EMOLS-id_330970291	278.347	GZPNSVSEDVVTQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042739
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1CCOC1	MCULE-2289242296,EMOLS-id_330974905	278.347	IKDCYTAYXLAJMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042740
c1(C(=O)OCC)c2COCc2nn1CC1CCCCC1	MCULE-2599730946,EMOLS-id_324402262	278.347	XANLQJJYJSGZST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042741
c1(C(=O)OC(C)(C)C)c2COCc2nn1CC1CCC1	EMOLS-id_324400215,MCULE-7383027455	278.347	UCEDXKUYSDTYES-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042742
CC(C[C@@H]1N(C(=O)c2c1noc2C)C(=O)C(C)(C)C)C	PC-id_102228470	278.347	TWENBHFWYSGNQO-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-042743
CCOCc1oc2c(n1)CN(C2)C(=O)C1CCCCC1	PC-id_97410205	278.347	LCMFZRHMPXNNPE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042744
CN(CC1(O)CCN(C1)C(=O)c1occ2c1CCC2)C	EMOLS-id_319088538	278.347	MNMILWRCJZTOST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042745
CON(C1CCN(CC1)C(=O)c1occ2c1CCC2)C	MCULE-8881060496,EMOLS-id_320100448	278.347	MFFPHIIVAPERTE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042746
O=C(N)C1(CC(c2c1c(n(c2C)CC(=O)O)C)(C)C)C	PC-id_23456209,SCHEMBL11345147	278.347	XDWWALRXEAFWLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042747
O(C(=O)c1c(n2c(CCC2)c1)CCCCNC(=O)C)C	PC-id_10062102	278.347	VXFIXMKVVNGGGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042748
s1c2c(CCC2)c(c1C(=O)NC1CCCC1)C(=O)[O-]	PC-id_2109205	278.347	ZVTRDHMRTDSJIJ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-042749
s1c2c(CCC2)c(c1NC(=O)C1CCCC1)C(=O)[O-]	PC-id_7996161	278.347	HJZOHFXTSFZTPH-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-042750
Cc1nc(NCc2sc3c(n2)CCC3)c(c(n1)C)F	EMOLS-id_318717055,MCULE-1170537294	278.348	FKNIPEXSRRWZDA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042751
CCc1ncnc(c1F)NCc1sc2c(n1)CCC2	EMOLS-id_318491599,MCULE-3662735313	278.348	YKUHHFHWQIZUIC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-042752
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC#C	MCULE-4429828400,EMOLS-id_328212851	278.348	XSVHLRHSWRYCCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-042753
c12CN(Cc1nn(CC1CC1)c2CNC)C(=O)OCC	EMOLS-id_324353122,MCULE-6378389888	278.35	SLBCXLKDKCFNKJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042754
c12CN(Cc1nn(CC1CCCC1)c2CN)C(=O)OC	MCULE-7378376639,EMOLS-id_324348014	278.35	SBBGIGJFXWGLHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042755
c12CN(Cc1nn(CC1CCCC1)c2N)C(=O)OCC	EMOLS-id_324340325,MCULE-3543751209	278.35	CMZVNFLLYADZGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042756
c1(CN(C)CC(=O)N2CCOCC2)c2CCCc2[nH]n1	ZINC22_252495648,PC-id_91838883,EMOLS-id_55674969,MCULE-9698090301	278.35	OUYUQGDDMFPLSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042757
c1(CN(C)C(=O)CN2CCOCC2)c2CCCc2[nH]n1	MCULE-6157785514,PC-id_91764997,EMOLS-id_55616753	278.35	ACSAKTJPCBOIJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042758
c1(C(=O)N2CCN(CCO)CC2)c2CCCc2n(C)n1	MCULE-5163608796,PC-id_84466190,EMOLS-id_320480526	278.35	XDJAYIBBWSIRCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042759
c1(C(=O)NCCCN2CCOCC2)c2CCCc2[nH]n1	MCULE-2549026227,EMOLS-id_323255997	278.35	CKWKHLZSHYTBNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042760
c1(C(=O)NCCN2CCOCC2)c2CCCc2n(C)n1	PC-id_110388990,EMOLS-id_179745037,MCULE-1709225062	278.35	DJZCJHSYUWGJJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042761
CC1CN(CC)C(CN1C(=O)c1cc2n(n1)CCO2)C	EMOLS-id_99606892	278.35	XFYABBLLNZGMNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042762
CC1OC(C)CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101388976	278.35	ZIPLHVATEHFRPX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042763
CC1OCCN(C1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418720	278.35	HNYUXBFHFAKVBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042764
CC1OCC(N(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101576985	278.35	ORXITYGGDMACGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042765
CCC1CN(CC)CCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_101549636	278.35	QYKLFUPRVAGECY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042766
CCC1COCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579238	278.35	VKKVCOWAYNPCJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042767
CCC1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101414173	278.35	BMTCBEGREHNZDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042768
CC(C)CN1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1	EMOLS-id_46160271,ZINC22_96066704,PC-id_97389044	278.35	VTTRLFSJKGMZJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042769
CC[C@@H]1OCC[C@H]1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572752	278.35	SHZBBDYOINWGBY-RSJDFQLWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042770
CCCN1CCN(CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959981	278.35	TXPXTSJYHMNZCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042771
CC(CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)O	EMOLS-id_36955997,PC-id_56779911,MCULE-4739567968	278.35	NZJSWEXZVSIOJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042772
C[C@@H]1O[C@H](C)CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420337	278.35	ZIPLHVATEHFRPX-WSVSKBAQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042773
C[C@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	PC-id_95607077,ZINC22_71871276	278.35	NZJSWEXZVSIOJS-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-042774
C[C@@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	PC-id_95607078,ZINC22_71871277	278.35	NZJSWEXZVSIOJS-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042775
CC(N1Cc2c(C1)n(nc2C(=O)N1CCOCC1)C)C	PC-id_97462012	278.35	UZFSNBBBTZERKL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042776
CCN1CCOCC1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319543659	278.35	NWIHQFVIZPYOOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042777
CCN1CCOCC1C(=O)NCc1cnc2n1CCC2	MCULE-3957098505,EMOLS-id_320136654	278.35	RVDOXPBCOMDKJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042778
CCN1CCOC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319331601	278.35	YWXDKDYHIQQGPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042779
CCN1CCOCC1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320187349,MCULE-2398483599	278.35	WBGJRADZEBEXDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042780
CCN(C(=O)CCCC(=O)N1CCn2c1ncc2)CC	EMOLS-id_279043904	278.35	IEKXMJQUHTVOHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042781
CCOC1CC(C1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318287230	278.35	XECKCHCBTNIAIG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042782
CC(OC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319393248	278.35	DAJUKKAKICXKAY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042783
CCO[C@@H]1C[C@@H](C1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572794	278.35	AGEFDXSDTIPAPY-WSVSKBAQSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042784
CCON1CCC(CC1)CC(=O)N1CCn2c1ncc2	EMOLS-id_177344754,MCULE-1938235677	278.35	KEMDVWTVMAMIOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042785
CN1CC[C@H](O)[C@@H](C1)C(=O)NCc1n[nH]c2CCCc12	ZINC22_2100536861,EMOLS-id_337702348,MCULE-7885348202	278.35	BZDJMPJQCDTOQD-MFKMUULPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042786
CN1CC(C)OC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318803821	278.35	YTIGYIVDQJNUAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042787
CN(C)C1(CCCC1)CNC(=O)c1nn2CCOc2c1	PC-id_91959819	278.35	QXSDWNAEIPKXLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042788
CN(Cc1nnc2n1CCC2)C(=O)CC[C@@H]1CCCO1	PC-id_95125519,ZINC22_65396364	278.35	WKOUCTRZWRDEQX-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-042789
CN(Cc1nnc2n1CCC2)C(=O)CC[C@H]1CCCO1	PC-id_95125521,ZINC22_65396366	278.35	WKOUCTRZWRDEQX-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042790
CN(CC1(O)CCN(C1)C(=O)c1cn2c(n1)CCC2)C	EMOLS-id_319176782	278.35	NEXBVJZIJCHAPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042791
CN(CC1(O)CCN(C1)C(=O)c1cnc2n1CCC2)C	EMOLS-id_319159022	278.35	BPLNGTJDPFRJJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042792
CN(CC1(O)CCN(C1)C(=O)c1cnn2c1CCC2)C	EMOLS-id_319264329	278.35	GCCAYMLZCDRFMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042793
CN(CC1(O)CCN(C1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_319531386	278.35	HAWAYBZGSBROKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042794
CN(CCC1CCCN1C(=O)c1nn2c(c1)OCC2)C	MCULE-8814138948,EMOLS-id_320262939	278.35	AZMDRHKFXZFYGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042795
CN(C)CCNC(=O)c1nc2c(o1)CN(CC1CC1)C2	PC-id_97525765,ZINC22_96266002	278.35	VAOCKXQGTZWILS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042796
CN(C(=O)C1(O)CC(C1)(C)C)Cc1nnc2n1CCC2	EMOLS-id_319811546	278.35	FPUCKPKAWVSUHC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042797
CN(C(=O)CCC1CCCO1)Cc1nnc2n1CCC2	EMOLS-id_35706638,MCULE-5038254383,PC-id_53500166	278.35	WKOUCTRZWRDEQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042798
COC1(CCC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101378431	278.35	NMPSDKFAEOVWFW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042799
COC1CCC(CC1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319685313	278.35	XUEMUFUDJHLWLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042800
COCC1(CCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574810	278.35	LFCIUUYWCXGWAK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042801
COC(C1CCCC1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319908872,MCULE-2246735160	278.35	DVSHXNNBQNYHNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042802
CO[C@@H]1CCC[C@H]1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101423985	278.35	UZVZSCDHBWLRQJ-RUJICJSRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042803
CO[C@@H]1C[C@@H](C1)N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101574789	278.35	YSDRSLFISRKTJW-WSVSKBAQSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042804
CON1CCC(CC1)C(=O)NC1CC(n2c1ncc2)C	MCULE-2370486331,EMOLS-id_320121068	278.35	RYXDJQUHFKMJNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042805
CON1CCC(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318883300	278.35	VOJJCDSDYAKFAI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042806
CON1CCC(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318938757	278.35	VGMQKAJKFUQFLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042807
CON(C1CCN(CC1)C(=O)c1nn2c(c1)CCC2)C	MCULE-1588926486,EMOLS-id_319827146	278.35	MTIRLYUKZGESEF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042808
CON(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_320224800,MCULE-3134735189	278.35	MVZANDVPFFNUQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042809
n1c(CNC(=O)CCN2CCCCO2)c2c(CCC2)[nH]1	ZINC22_55108930,MCULE-6995558644,PC-id_46986107,EMOLS-id_31606781	278.35	QBAPEVUAFSNVDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042810
OC1CN(C(C1)(C)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319329387	278.35	GSBVQNSPNUCXNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042811
O=C(C1CCc2n1c(nn2)C(C)(C)C)N1CCOCC1	PC-id_118740463	278.35	AGCSXRPANSDTHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042812
O=C(C1NCc2c1c[nH]n2)N(CCC1CCOCC1)C	EMOLS-id_318833044	278.35	TWGQCZNMFCHSAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042813
O=C(C1NCc2c1c[nH]n2)NCCOC1CCCCC1	EMOLS-id_318934692	278.35	FIGORTPRBBVVHQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042814
O=C(c1nn2c(c1)OCC2)NCCN1CCCC1(C)C	EMOLS-id_101493957	278.35	JABKBFOUOZOPJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042815
O=C(c1nn2c(c1)OCC2)NC(CN1CCCC1)(C)C	EMOLS-id_101502456	278.35	SDDWBRPAVULNCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042816
O=C(c1nn2c(c1)OCC2)NCC(N1CCCC1)(C)C	MCULE-4115683766,EMOLS-id_320122937	278.35	MYHTVDAFRPLOKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042817
O=C(c1n[nH]c2c1CN(C2)CC1CCOCC1)N(C)C	PC-id_97408300	278.35	AZIOEXISWRMNOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042818
OCCC1NCCN(C1)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_320139913,MCULE-3732518318	278.35	FPHPPANDFLKROA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042819
O=C(CC1(O)CCCCC1)NCc1nnc2n1CCC2	PC-id_111536467	278.35	SHXIVTTZHLMPHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042820
O=C(C(CN1CCOCC1)(C)C)N1CCn2c1ccn2	EMOLS-id_320005108,MCULE-1617192020	278.35	DYDAMNSWXRJVNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042821
O=C([C@@H](N1CCOCC1)C)NCc1cnc2n1CCC2	EMOLS-id_318777670	278.35	UPLDAQBHMPLXHS-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-042822
O=C(C(N1CCOCC1)C)NCc1cnc2n1CCC2	EMOLS-id_318777926	278.35	UPLDAQBHMPLXHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042823
OCCn1ncc2c1CN(C2)C(=O)[C@H]1CCCN(C1)C	PC-id_95207780	278.35	AYHOSEIYWAHMTR-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-042824
OCCn1ncc2c1CN(C2)C(=O)[C@@H]1CCCN(C1)C	PC-id_95207781	278.35	AYHOSEIYWAHMTR-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042825
OCCNC1CCCN(C1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319756981	278.35	FDHZFIWVPKWMTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042826
OCCNC1CCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_319419279	278.35	RWBGPNXODUZYCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042827
O=C(N1Cc2n(ncc2C1)CCO)C1CCCN(C1)C	PC-id_56751623	278.35	AYHOSEIYWAHMTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042828
O=C(NC1CC(C1(C)C)O)NC1CC(n2c1ncc2)C	EMOLS-id_101574948	278.35	OTBVMYIIKFKRSX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042829
O=C(NC1(C)CCOC1C)NC1CC(n2c1ncc2)C	EMOLS-id_101576970	278.35	GDFAIXQESBRHIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042830
O=C(NC1CCn2c1cnc2)CN([C@@H]1CCC[C@H]1O)C	EMOLS-id_319075468	278.35	NHISDRPZBICMEF-LIXJUXSLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042831
O=C(NC1CC(n2c1ncc2)C)NCC1CCCCO1	EMOLS-id_101378203	278.35	NDGRASHYTOQJCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042832
O=C(NCc1n[nH]c2c1CCC2)CCN1CCOCC1	EMOLS-id_319977095,MCULE-5177425346	278.35	OLSPMEYNGXTBHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042833
OC(=O)C1CCCC(C1)NC(c1nnc2n1CCC2)C	PC-id_116494634	278.35	VEZNUJZFOGJQQQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042834
S1Cc2c(noc2NC(=O)/C=C/c2sccc2)C1	PC-id_49720061	278.35	PZGKPARATSQICU-ONEGZZNKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042835
S1Cc2c(noc2NC(=O)C=Cc2sccc2)C1	PC-id_75355108	278.35	PZGKPARATSQICU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042836
c12CN(Cc1nn(CC1CC1)c2C#N)Cc1ccccc1	MCULE-7477516743,EMOLS-id_324356458	278.352	JUMAZWWKRXAUOX-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-042837
Cc1cn(nc1c1ccccc1)Cc1nn2c(c1)CCC2	MCULE-8602081948,EMOLS-id_320111464	278.352	HUNOGGNRJPFDGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-042838
N#Cc1cccc(c1)C1(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318471060,MCULE-9924648610	278.352	FYHUSLQWWZOXLS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-042839
N#Cc1cccc(c1)C1(CC1)NCc1cnc2n1CCC2	EMOLS-id_318445803,MCULE-1817534472	278.352	QRJIKJKLASDUSZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-042840
CN=C(NCc1nnc2n1CCC2)NCC1CCCO1	PC-id_119117070	278.353	OJXRWIPPMUTARV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042841
O=C(N1CCC(NC(c2n3CCCc3nn2)C)CC1)N	PC-id_43791515	278.353	PMFIYMOEBSGLEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042842
O=C(N(Cc1n2CCCc2nn1)C)CN1CCNCC1	EMOLS-id_316459175,MCULE-4072401995,PC-id_60963362	278.353	ZULMUQLKCFXYTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042843
O=C(NC(c1n2CCCc2nn1)C)CN1CCNCC1	PC-id_60851772	278.353	DSNNDHBAGNZEGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042844
s1c(C(=O)OC2(CC2)C2CCOC2)cc2c1CCC2	PC-id_71869386	278.367	PEURQUQELDWAON-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-042845
c1(NC(=O)C2CCC2)sc2c(CCC2)c1C(=O)NC	MCULE-9270008549,EMOLS-id_334330076	278.37	BHNRWFJBTIMPJB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-042846
c1(NC(=O)C2CCCC2)sc2c(CCC2)c1C(=O)N	CoCoCo_6816892,ZINC22_1002411,TIMTEC348273,MCULE-4206746238,SCHEMBL8290403,PC-id_1225630,EMOLS-id_3979385	278.37	OAEQDGOTENJWNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042847
c1(sc2c(CCC2)c1C#N)N(C)C(=O)OC(C)(C)C	EMOLS-id_208056564,MCULE-8852606418	278.37	FGGDDPHUWHPWMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042848
CC(c1ccco1)(CNCc1sc2c(n1)CCC2)O	PC-id_109948668	278.37	LLVIOIMNYWRTCV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042849
CC(NC(=O)c1cc2c(s1)CCN2C(=O)C1CC1)C	PC-id_97524528	278.37	HLQZFXOUHYZJGD-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-042850
CC(=O)N1CCN(C(=O)c2cc3c(s2)CCC3)CC1	PC-id_29202139,MCULE-3112050469,ZINC22_20894895,EMOLS-id_34840805	278.37	OYCQIUINTGPHRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042851
COc1cnn(c1C(c1sc2c(c1)CCC2)O)CC	PC-id_115837018	278.37	PWLFYFRTDSDKMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042852
N#Cc1c(NC(=O)COC(C)(C)C)sc2c1CCC2	PC-id_112605032	278.37	GFTSPCKFAHRXRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042853
O=C1CCC(N1)(C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_101499429	278.37	UKUPKPDZUVQEML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042854
OC(c1ccco1)CNC(c1sc2c(n1)CCC2)C	PC-id_109908426	278.37	DHEWJXOITLIWEL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042855
OC(C1(C)C(C)Sc2n1ccn2)CCc1ccco1	SCHEMBL7329281,PC-id_70056919	278.37	BAOLVTDZLAUNCQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-042856
O=C(c1sc2c(c1)CCC2)N1CC(C1)NC1COC1	EMOLS-id_319015531	278.37	WAAIYAIBAOOJBI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-042857
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)C(=O)N	MCULE-2049681196,PC-id_29205758,EMOLS-id_257858419	278.37	FPQJQOHCGWXBBM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042858
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)C(=O)N	PC-id_86978871	278.37	HTCSHKRABJKDLF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042859
O=C(c1sc2c(c1)CCC2)NC1CCCCNC1=O	PC-id_45818650,EMOLS-id_31934628,MCULE-5267184065	278.37	JGFUJWVBWQFCJU-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-042860
OCCCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-9592018495,EMOLS-id_327993168	278.37	XPBRIHBKEWKNPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042861
O=C(N1CCNC(=O)C1(C)C)c1sc2c(c1)CCC2	PC-id_63362103,EMOLS-id_102285540	278.37	BKMYBMSJXGCLKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042862
O=C(NCC(=O)N1CCCC1)c1cc2c(s1)CCC2	ZINC22_48439308,MCULE-5632434575,EMOLS-id_316745695	278.37	DDBKHGIPROWVIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042863
O=C(N[C@H]1CCCCNC1=O)c1cc2c(s1)CCC2	CoCoCo_4879075,ZINC22_40521198,PC-id_93615042	278.37	JGFUJWVBWQFCJU-JTQLQIEISA-N	00000010100000000100000010000000000000000000000000000000	25-01-042864
O=C(N[C@@H]1CCCCNC1=O)c1cc2c(s1)CCC2	ZINC22_40521196,CoCoCo_4879076,PC-id_93615041	278.37	JGFUJWVBWQFCJU-SNVBAGLBSA-N	00000010100000000100000010000000000000000000000000000000	25-01-042865
OC(=O)C1CCc2c1nc(s2)N(C1CC1)CC1CC1	PC-id_104288970	278.37	QUFRRUPMVMAXAC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042866
OC(=O)C1CCc2c1nc(s2)NC(C1CC1)C1CC1	PC-id_104288496	278.37	VJMWEBAZTRIPQT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042867
OC(=O)C1CCc2c1nc(s2)NCC1(CC1)C1CC1	PC-id_114096876	278.37	PQVAJQZLZNGRIW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-042868
ON=C1CCN(CC1C)C(=O)c1sc2c(c1)CCC2	PC-id_104930790	278.37	ZHMQCGDVNBSPTG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042869
s1c2c(CCC2)cc1CNC1CC(=O)N(C1=O)CC	PC-id_61207415	278.37	PGHDYQRHASQWIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042870
s1c2c(CCC2)cc1CNC(=O)C1CCC(=O)NC1	PC-id_78978318	278.37	HKSVATJVVOBGQO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042871
s1c2c(CCC2)cc1C(=O)N1C(CC)C(=O)NCC1	PC-id_63600807	278.37	MKSFJWJUBKJYEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042872
s1c2CCCc2cc1C(=O)NCCNC(=O)C1CC1	PC-id_31364687	278.37	AHMXFZSEOMFTQB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-042873
s1c2CCCc2cc1C(=O)N(CCOC)CCC#N	PC-id_63237346	278.37	OZDGKRGCPOXZBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042874
s1c2CCCc2cc1C(=O)NNC(=O)C1CCCC1	PC-id_26872765	278.37	QNTZFHDDWMOIHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042875
s1c2c(CCC2)c(c1N(CCC)CCC(=O)O)C#N	PC-id_82309843	278.37	ZVRQUYOYZPHXBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042876
s1c2c(CCC2)c(c1N(C(C)C)CCC(=O)O)C#N	PC-id_82310029	278.37	MVVWWGUGHQYECH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042877
s1c2c(CCC2)c(c1N(CC(C)C(=O)O)CC)C#N	PC-id_82310081	278.37	AGKZVXTYFXGXST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042878
s1c(C(=O)NC2C3OCCC3C2N)cc2c1CCC2	PC-id_66197088	278.37	SGJVIZYEOYMITH-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-042879
c12CN(Cc1n(nc2)CCO)CCc1csc(C)n1	PC-id_91833897,CHEMBL4559854,MCULE-4428499546,EMOLS-id_55640606,ZINC22_252485599	278.373	GZXWVPAEGOYBSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042880
C1CC(OC1)CNC(=S)NN=C1CCn2c1ccc2	EMOLS-id_300881128,MCULE-5547582331,PC-id_91942210	278.373	KKDKBYPLHBCWPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042881
c1(NC(=O)NCCN(C)C)sc2c(CCC2)c1C#N	STOCK6S-12959,MCULE-3270297888,EMOLS-id_4744029,PC-id_8070189,ZINC22_6756786	278.373	OEQHEQMRQZDQNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042882
CC1CC(c2n1ncn2)NCC(c1cccs1)(O)C	EMOLS-id_258182442,MCULE-9741232519	278.373	XQVBRKGBZKJCLV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042883
Cc1noc(n1)C(NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318085378,MCULE-3107658707	278.373	RHDDSOZMCFNHOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042884
Cc1onc(n1)C(NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318276031,MCULE-1189613373	278.373	CZKLVDDDNZLMAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042885
CC(c1onc(n1)NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318488835,MCULE-1908016462	278.373	MSGYTEGOYCVKMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042886
CC(C)(C)c1nnc(NCc2nc3c(s2)CCC3)o1	PC-id_75484842,EMOLS-id_48764710,ZINC22_95939362,MCULE-7482790752	278.373	PTYQIXVIRSBOAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042887
COc1cnn(c1C(c1sc2c(c1)CCC2)NN)C	PC-id_105339058	278.373	CCXQCGLJRZRZNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042888
COc1n(C)nc(c1C(c1sc2c(n1)CCC2)N)C	PC-id_116015841	278.373	CBMVRUVSNVDORN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042889
COc1nscc1CN(Cc1cnn2c1CCC2)C	EMOLS-id_319066643	278.373	XFRGPJDQAZSHGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042890
COc1nscc1CN(Cc1nn2c(c1)CCC2)C	MCULE-7434763197,EMOLS-id_320278862	278.373	VRQYQRFJKJJZNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042891
OCCn1ncc(c1)NC(c1sc2c(n1)CCC2)C	PC-id_110017335	278.373	ALVDPTOTXYXIGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042892
s1c2c(CCC2)cc1CNCc1nnn(c1)CCO	PC-id_66270578	278.373	OWZDKUKZIOXYQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042893
S=C(NCC1OCCC1)N/N=C
/CCn2c1ccc2	PC-id_75402465	278.373	KKDKBYPLHBCWPX-PTNGSMBKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042894
S=C(NC[C@@H]1CCCO1)N/N=C
/CCn2cccc12	ZINC22_102727782	278.373	KKDKBYPLHBCWPX-NVRAKJRWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042895
S=C(NC[C@H]1CCCO1)N/N=C
/CCn2cccc12	ZINC22_102727786	278.373	KKDKBYPLHBCWPX-BXSDCGNMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042896
CC(c1nnc2n1CCC2)Nc1snc(n1)C(C)C	PC-id_75517706,EMOLS-id_49341743,MCULE-2386348018	278.377	PJRMUEMKFCEKHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042897
C[C@@H](c1nnc2n1CCC2)Nc1snc(n1)C(C)C	PC-id_97802944	278.377	PJRMUEMKFCEKHO-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042898
C[C@H](c1nnc2n1CCC2)Nc1snc(n1)C(C)C	PC-id_97802945	278.377	PJRMUEMKFCEKHO-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042899
c1(C(=O)OCC)c2C(C)CCc2n(C(C)C(C)(C)C)n1	EMOLS-id_330998776,MCULE-3896676839	278.39	RDMRSAFZCCBKAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042900
c1(C(=O)OCC)c2C(C)CCc2n(CCC(C)(C)C)n1	EMOLS-id_331000311,MCULE-8233037323	278.39	SDJLRJBMYPXBFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042901
c1(C(=O)OCC)c2C(C)CCc2n(CC(CC)CC)n1	EMOLS-id_331001335,MCULE-5246644842	278.39	NJEYNYPURUPNQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042902
c1(C(=O)OCC)c2C(C)CCc2nn1CC(CC)CC	EMOLS-id_330983352,MCULE-9971756502	278.39	GZFURANHODAMRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042903
c1(C(=O)OCC)c2C(C)CCc2nn1CCC(C)(C)C	MCULE-7052096403,EMOLS-id_330982328	278.39	SJAMOABPKFGUTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042904
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C(C)(C)C	MCULE-9391730276,EMOLS-id_330984632	278.39	KDOZHKUMFRATHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042905
COC(=O)N1CC(c2c1c(c[nH]2)C(C)(C)C)C(C)(C)C	PC-id_70433373,SCHEMBL10748151	278.39	XMWKFLWWRGEDBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042906
OCCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N	PC-id_22759136,SCHEMBL11613126	278.39	RCEIEHJNBNGDCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042907
c1(CN(C)C(=O)NCCC(C)CC)c2CCCc2[nH]n1	MCULE-7152535231,PC-id_121505798,EMOLS-id_177448642	278.393	PDBXPZNXVTYTDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042908
c1(C(=O)N(CCCC)CC)cc2n(C[C@@H](N(C)C)C2)n1	MCULE-9417062060,EMOLS-id_316326200	278.393	KNURQCUVJXRNPE-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042909
c1(C(=O)NCCCCN(CC)CC)c2CCCc2[nH]n1	EMOLS-id_334992562,MCULE-9155279088	278.393	SSBFRZVNIXHLOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042910
CC1CC(c2n1ncn2)NCCOC1CCCCCC1	EMOLS-id_279083175	278.393	NDOHSWMDKMMJSA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-042911
CC1CCCCC1OCCNC1CC(n2c1ncn2)C	EMOLS-id_319828178,MCULE-4061476302	278.393	OGUFFFAWEKWDDW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042912
CC1(C)C[C@@H](C(O1)(C)C)NCCc1nnc2n1CCC2	PC-id_97229722	278.393	PGYZFRLHEAATCN-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-042913
CC1(C)C[C@H](C(O1)(C)C)NCCc1nnc2n1CCC2	PC-id_97229723	278.393	PGYZFRLHEAATCN-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042914
Cc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)s1	PC-id_33040188,CHEMBL1821909	278.393	BUSFCVAVCJBGQX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042915
Cc1ncc(s1)CNC(=O)c1sc2c(c1)CCC2	PC-id_86835997	278.393	QWQODYONAVVCOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042916
Cc1sc(c(n1)C)C(=O)NC1Cc2c(C1)ccs2	PC-id_21050762,SCHEMBL2454948	278.393	MMPDKWBGWMWXIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042917
CC(c1nn(c2c1CCC2)CCCNOC)NC1CC1	PC-id_90064947	278.393	RRTGOGCEISKHIH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042918
CCCCN(C(=O)c1nn2c(c1)CC(C2)N(C)C)CC	MCULE-6957542512	278.393	KNURQCUVJXRNPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042919
CC[C@@H](C)CCNC(=O)N(C)Cc1n[nH]c2c1CCC2	ZINC22_426544921	278.393	PDBXPZNXVTYTDQ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042920
CC[C@H](C)CCNC(=O)N(C)Cc1n[nH]c2c1CCC2	ZINC22_426545120	278.393	PDBXPZNXVTYTDQ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-042921
C=CCSCC(=O)Nc1sc2c(c1C#N)CCC2	SPECS-id_AN-153/I189215,MCULE-7997081460,PC-id_4370124	278.393	MVBGLMFTAQGNAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042922
CC(NC(c1cc2n(n1)CCC2)C)CN1CCOCC1	EMOLS-id_318052516	278.393	PLLPCOZOPBJXCB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042923
CN(Cc1cscn1)C(=O)c1cc2c(s1)CCC2	PC-id_47869186,MCULE-5478857345,EMOLS-id_33313851,ZINC22_58403579	278.393	OTJUXRLVKCFBEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042924
CONCCCn1nc(c2c1CCC2)[C@H](NC1CC1)C	SCHEMBL15599525	278.393	RRTGOGCEISKHIH-LLVKDONJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042925
n1c2CCCc2sc1CCNC(=O)c1cccs1	MCULE-6355717572,PC-id_110461993,EMOLS-id_181142868	278.393	KONRENUJJRHHSF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042926
N#CC1CSCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_102348496	278.393	KGOYHNSIGINOKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042927
O1C(CC(NC(c2n3CCCc3nn2)C)CC1)CCC	PC-id_64102997	278.393	ZSILGXFYSOWEJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042928
O1C(CC(NC(c2n3CCCc3nn2)C)CC1)(CC)C	PC-id_64102998	278.393	CGOKRXXYWNZWQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042929
O1C(CC(NC(c2n3CCCc3nn2)C)CC1)C(C)C	PC-id_64103407	278.393	JNMRFMPOPSLCIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042930
O1C(C(NC(c2n3CCCc3nn2)C)CC1(C)C)(C)C	PC-id_79927008	278.393	NTOOZOYXPMBNPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042931
O1C(C(NCCc2n3CCCc3nn2)CC1(C)C)(C)C	PC-id_75427600	278.393	PGYZFRLHEAATCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042932
O(C1C(C(NC(c2n3CCCc3nn2)C)C1)(C)C)CC	PC-id_64851143	278.393	UZXGLJVMRLLWEB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-042933
OCC1(CCCCC1)CNC(c1n2CCCc2nn1)C	PC-id_81413318	278.393	ZIYNVNWBPJRJCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042934
O=C(c1sccc1N)NCc1sc2c(c1)CCC2	PC-id_61207203,EMOLS-id_314880948	278.393	NOMTVJHGNRPHKV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-042935
O=C(CCc1cccs1)Nc1nc2c(s1)CCC2	PC-id_17416971,EMOLS-id_11953840,CoCoCo_4164264,MCULE-7569029596,ZINC22_14018296	278.393	AHNDOSKMLFNODY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042936
O=C(CCc1ccsc1)Nc1nc2c(s1)CCC2	MCULE-1295922063,EMOLS-id_13476410,ZINC22_14162146,PC-id_17456302,CoCoCo_4164306	278.393	SXSGFAHCPJLYMF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042937
OCC(NC1CC(n2c1ncn2)C)CC1CCCCC1	EMOLS-id_320067232,MCULE-3557902326	278.393	NNHDCZZOWLINKB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042938
s1c2CCCc2cc1C(=O)Nc1sc(c(n1)C)C	PC-id_47098604	278.393	PARDPSZGORTZCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042939
s1c2CCCc2nc1NC(=O)c1sc(CC)cc1	PC-id_47119163	278.393	AYEZQPPJQHJICI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042940
s1c2CCCc2nc1N(C(=O)Cc1sccc1)C	PC-id_70698686	278.393	BEFBKXMPKNFUFN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-042941
C1Cc2c(C1)nc(s2)CNc1nnc(s1)C1CC1	MCULE-9093568615,EMOLS-id_318476617	278.396	LKXRWDSJVQCRDT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-042942
C1Cc2c(C1)nc(s2)CNc1snc(n1)C1CC1	EMOLS-id_318520407,MCULE-7987572339	278.396	DXSGXYMGCWJHCS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-042943
C1Cc2nc(SSc3cn4CCCc4n3)cn2C1	CoCoCo_596777,EMOLS-id_2333871,MCULE-6863571925,STOCK2S-69589,PC-id_787429	278.396	ZQQUBNXDJSIART-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042944
CCCCCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020211	278.396	HWKFCMPQXVPNKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042945
CCCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020199	278.396	FQCGRTPVGLKPTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042946
CCCCN(C(=NCc1nnc2n1CCC2)NCC)C	PC-id_111159377	278.396	LJBMZZNHCIZNEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042947
CCC(CNC(=NC)NCc1nnc2n1CCC2)CC	PC-id_111778311	278.396	RPALSCMFISFTPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042948
CCN1CCN(CC1)CCNC1CC(n2c1ncn2)C	EMOLS-id_319336913	278.396	ZARSORLLPJCTFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042949
CCNC(=NCc1nnc2n1CCC2)NCCC(C)C	PC-id_110979229	278.396	HCFJNHOHHFJJLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042950
CCNC(=NCc1nnc2n1CCC2)NC(C(C)C)C	PC-id_111002691	278.396	SCJSJLLFIYSAIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042951
CN=C(NCc1nnc2n1CCC2)NCCCC(C)C	PC-id_111020127	278.396	WJLYPGUPGWNVQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-042952
CCCCCc1cc2c(s1)C(C(C2)C(=O)O)CC=C	PC-id_70438886,SCHEMBL10767362	278.41	IKDKDMCXHZUAMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042953
CCCCCc1cc2c(s1)C(CC2C(=O)O)CC=C	SCHEMBL10766737,PC-id_70438664	278.41	HSEBFUYZONPJMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042954
O=C(C1CC(OC1(C)C)(C)C)c1sc2c(c1)CCC2	PC-id_113663184	278.41	RMHQXKCCTHTPBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042955
c1(NC(=O)CCC2CCCCC2)sc2c(CCC2)n1	MCULE-5270779473,EMOLS-id_181474542,PC-id_4548833	278.413	CXBDXJZZSFNXPE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042956
CC1CCCNC1C(=O)NCc1sc2c(c1)CCC2	PC-id_107067947	278.413	HWCJICOZVKOHRI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042957
CC1CCNC(C1)C(=O)NCc1sc2c(c1)CCC2	PC-id_114423658	278.413	HBANLWSDDQDGOG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042958
CC1CCNC(C1NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_302663541,MCULE-8898170391,PC-id_121616638	278.413	UPUGTFJYZLFDRZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042959
CC1NCCC(C1)C(=O)NCc1sc2c(c1)CCC2	PC-id_106739670	278.413	SDKXAGJPRBBHOR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042960
CCC1CCc2c1c(c(s2)N)C(=O)N1CCCCC1	PC-id_116176041	278.413	TUVQFRFRFDIOEE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042961
CC(C1CCCCN1C(=O)c1sc2c(c1)CCC2)N	EMOLS-id_301302248,PC-id_63254984,MCULE-8620015087	278.413	ISTJUJVKYTUEAF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042962
CC(C1CCCN(C1)C(=O)c1sc2c(c1)CCC2)N	EMOLS-id_301378314,MCULE-8195798158,PC-id_64026452	278.413	SVRVTHVLKUSEDY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042963
CC(C1CCCNC1)NC(=O)c1sc2c(c1)CCC2	PC-id_62032339,EMOLS-id_302650936,MCULE-2543586098	278.413	OCVIDQRNUOYLTL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042964
CC(C1CCN(CC1)C(=O)c1sc2c(c1)CCC2)N	MCULE-9162926605,EMOLS-id_302066151,PC-id_55217065	278.413	DUDAKWDETJQHJM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042965
CC(C1CCSCC1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986677,MCULE-8141742299	278.413	TXRSWXPERPNFFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042966
CC(c1sc2c(n1)CCC2)(C1CCOC1)NC1CC1	PC-id_116176817	278.413	JUHQNHBYCPUAMK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-042967
CCCN(C(=O)c1sc2c(c1)CCC2)C1CCNC1	PC-id_55204011,MCULE-3437644950,EMOLS-id_301284596	278.413	OIOPPPPXSONMQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042968
CCN(C(=O)c1sc2c(c1)CCC2)CC1CCCN1	PC-id_106609395	278.413	VGHQGNSQGYQDLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042969
CN1CC(C(C1)(C)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319661224	278.413	TXSMEPCVGPAHSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042970
CNCC1CCCN(C1)C(=O)c1sc2c(c1)CCC2	MCULE-1140033305,EMOLS-id_301229797,PC-id_61206387	278.413	DDFOSGSTPOJRHT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042971
CNCC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	MCULE-7184415335,PC-id_55176052,EMOLS-id_301282538	278.413	AHWQTZGBBFJDQM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042972
CNC[C@@H]1CCCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_317969030	278.413	INWXNRWWHAERBR-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042973
CN([C@@H]1CCC[C@H]1NC(=O)c1sc2c(c1)CCC2)C	MCULE-9801601509,EMOLS-id_320160273	278.413	QSCJPHJQSFPWBE-VXGBXAGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042974
n1c2CCCc2sc1CCNC(=O)C1CCCCC1	MCULE-8143902476,PC-id_110462015,EMOLS-id_181142955	278.413	ARQDXBAGAIQXDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-042975
NCC1CCCCC1NC(=O)c1sc2c(c1)CCC2	MCULE-8324293454,PC-id_65849460,EMOLS-id_301336387	278.413	CMTCHJDHHVDEJY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042976
NCC1CC(C)CCN1C(=O)c1sc2c(c1)CCC2	PC-id_103441242	278.413	FOSWEDLWRMHURJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042977
NCC1CN(CCC1C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_71261796,MCULE-4856151543,PC-id_114960672	278.413	BJBDJGNVVRENDP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042978
NCC(C1CCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_71268218,MCULE-1344491112,PC-id_106737207	278.413	AJKUEDCQXYMKHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042979
NCCC1CCCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_301362696,PC-id_64016319,MCULE-8317257428	278.413	GFTXKSVDPUWOIX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042980
NCCC1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_302661959,PC-id_64026558,MCULE-3072039691	278.413	ZLFNRROHQOJJIM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042981
NC[C@@H]1CC[C@H](CC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319351045	278.413	LUTCKKXAKLAKSQ-UMSPYCQHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042982
NC(=O)c1c(NCCC2CCCC2)sc2c1CCC2	PC-id_143029527	278.413	FYEMLMQGOZLVHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042983
O=C(C1(C)CCCCN1)NCc1sc2c(c1)CCC2	PC-id_104040680	278.413	GZECCJQBFYOUGO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042984
O=C(c1c(N)sc2c1C(C)CC2(C)C)N1CCCC1	PC-id_106662930	278.413	KREKRLAOGORTQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042985
O=C(c1sc2c(c1)CCC2)NC1CCNCC1(C)C	EMOLS-id_71524362,PC-id_121649169,MCULE-1526975092	278.413	BNEDCDGEBUABDM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042986
O=C(c1sc2c(c1)CCC2)N(CC1CCCCN1)C	PC-id_106627520	278.413	LBSPOBSSIHFRAW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042987
O=C(c1sc2c(c1)CCC2)NCC1(C)CCCNC1	EMOLS-id_302677604,PC-id_104333157,MCULE-9470418223	278.413	BOSNFNKWZRCVCR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042988
O=C(c1sc2c(c1)CCC2)N(CC1CCCNC1)C	PC-id_106627999	278.413	YKFFPKACEKXNAY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042989
O=C(c1sc2c(c1)CCC2)NCC1(C)CCNCC1	MCULE-9289460077,EMOLS-id_302196144,PC-id_104333631	278.413	AVTITEYXBCGJHT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042990
O=C(c1sc2c(c1)CCC2)NCC1(N)CCCCC1	MCULE-3641294068,EMOLS-id_302650751,PC-id_119404219	278.413	GSUGLAPLGULALL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042991
O=C(c1sc2c(c1)CCC2)NCCC1CCCNC1	PC-id_63628538,MCULE-5631406836,EMOLS-id_301324793	278.413	YAVAMSMYXZIRFV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042992
O=C(c1sc2c(c1)CCC2)NCCCN1CCCC1	PC-id_75511787,MCULE-2170065197	278.413	JJEDGDFOSBDXQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042993
O=C(N1CCC(C1)(C)N(C)C)c1sc2c(c1)CCC2	EMOLS-id_318812219	278.413	DAACKHBKLQHNRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042994
O=C(N1CCC(C(C1)(C)C)N)c1sc2c(c1)CCC2	PC-id_120819505	278.413	MNBUNAMKDJYXSE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042995
O=C(N(C1CCNCCC1)C)c1sc2c(c1)CCC2	PC-id_104974555	278.413	MHWIEYIFMDKOAB-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-042996
s1c2c(CCC2)cc1CNC1CCN(CC1)C(=O)C	PC-id_61209513	278.413	MBXVHESSTAZLJG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042997
s1c2c(CCC2)cc1CNC(C(=O)N1CCCC1)C	PC-id_61207989	278.413	ZZWUWXRGAPYIAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-042998
s1c2c(CCC2)cc1CNCC(=O)N1CCCCC1	PC-id_61206877	278.413	GAOICUVLCKMEPH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-042999
s1c2c(CCC2)cc1CNCC(=O)N(C1CC1)CC	PC-id_61488091	278.413	DUYFLPXSXBBGNQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043000
s1c2c(CCC2)cc1CNCC(=O)NC1CCCC1	PC-id_61207061	278.413	LYXRSYFVFYZYPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043001
s1c2c(CCC2)cc1CNC(=O)C1C(CCC1)CN	PC-id_65895156	278.413	LKYGJCJQVZLXGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043002
s1c2c(CCC2)cc1CNC(=O)C1(CCCC1)CN	PC-id_81488934	278.413	VPIKXCBUYVLLBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043003
s1c2c(CCC2)cc1CNC(=O)C1(CCCNC1)C	PC-id_63135074	278.413	OXNRJMOEEXVISU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043004
s1c2c(CCC2)cc1CNC(=O)C1CCC(N)CC1	PC-id_61208591	278.413	WWBAGQGTGHNFLG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043005
s1c2c(CCC2)cc1CNC(=O)C1(CCNC1)CC	PC-id_55165344	278.413	XCIWSNPSQGEPJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043006
s1c2c(CCC2)cc1CNC(=O)C1(CCNCC1)C	PC-id_63122606	278.413	LLPVGKWNBZEVFE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043007
s1c2c(CCC2)cc1CNC(=O)C1CC(N)CCC1	PC-id_55145975	278.413	XGBXSPMZXVRQBW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043008
s1c2c(CCC2)cc1CNC(=O)C1(C(N)CCC1)C	PC-id_82767868	278.413	UCDAOLZZOROMFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043009
s1c2c(CCC2)cc1CNC(=O)C1C(N)CCCC1	PC-id_64823047	278.413	BJEPRMSLIJSKOS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043010
s1c2c(CCC2)cc1CNC(=O)C1(NCCC1)CC	PC-id_83072447	278.413	YUIGBTHXPRONSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043011
s1c2c(CCC2)cc1CNC(=O)C1(N)CCCCC1	PC-id_61208602	278.413	CRENSTGPBFUEHP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043012
s1c2c(CCC2)cc1CNC(=O)C1NCCCCC1	PC-id_64564225	278.413	OKJAWBRWYWLMJA-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-043013
s1c2c(CCC2)cc1CNC(=O)CC1(CCC1)CN	PC-id_81171637	278.413	WLIHIJIRARSMAM-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043014
s1c2c(CCC2)cc1CNC(=O)CC1CCCNC1	PC-id_62677076	278.413	ACLKVVXGFXWKKT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043015
s1c2c(CCC2)cc1CNC(=O)CC1CCNCC1	PC-id_61208779	278.413	KIBUKTKSIMLHOQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043016
s1c2c(CCC2)cc1CNC(=O)CC1(N)CCCC1	PC-id_64678391	278.413	CSEMCUUXOMPXFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043017
s1c2c(CCC2)cc1CNC(=O)CCC1CCNC1	PC-id_81722100	278.413	ICNBRAAXMZVEMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043018
s1c2c(CCC2)cc1CNC(=O)CNC1CCCC1	PC-id_61208954	278.413	JVCGXZKIRXSKSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043019
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)CCN	PC-id_64025754	278.413	VRYAMBQMBMKHTK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043020
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)CNC	PC-id_63249682	278.413	INWXNRWWHAERBR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043021
s1c2c(CCC2)cc1C(=O)N(C1CCCNC1)CC	PC-id_63637962	278.413	LMEALBOVPYGTMS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043022
s1c2c(CCC2)cc1C(=O)N(C1CCC(N)CC1)C	PC-id_79121134	278.413	VYBRVZYOEFYNEL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043023
s1c2c(CCC2)cc1C(=O)NC1CCC(NC)CC1	PC-id_79110750	278.413	VTMSMBWOTORKJN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043024
s1c2c(CCC2)cc1C(=O)N(C1CCNCC1)CC	PC-id_54923490	278.413	VEHMFHAYLNOZAN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043025
s1c2c(CCC2)cc1C(=O)NC1C(N)CCCCC1	PC-id_55167259	278.413	UFGTYLQEJZPDCO-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-043026
s1c2c(CCC2)cc1C(=O)N(CC1CCNCC1)C	PC-id_79720386	278.413	BVMORNPSNBMHDJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043027
s1c2c(C(CC2)(C)C)c(C(=O)N2CCCCC2)c1N	PC-id_79864467	278.413	TWBZDSGRPAJETC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043028
s1c(C(=O)N2C(C(CCC2)C)CN)cc2c1CCC2	PC-id_64022262	278.413	DHWINTUKTYNRKR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043029
s1c(C(=O)N2C(CCCC2C)CN)cc2c1CCC2	PC-id_64026478	278.413	HAQNKNFQOXLGOM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043030
s1c(C(=O)N2C(CCC(C2)CN)C)cc2c1CCC2	PC-id_64021810	278.413	WHXMRBKHAZRPEV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043031
s1c(C(=O)N2CC(C(N)CC2)CC)cc2c1CCC2	PC-id_81456961	278.413	VJADOJOOOSWTSA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043032
s1c(C(=O)N(C2C(CCC2)CN)C)cc2c1CCC2	PC-id_65851484	278.413	RGHXFNRGVMJGCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043033
s1c(nc2c1CCC2)C(NC1CC1)(C1CC1)COC	PC-id_80411151	278.413	GZEYFILSQAKIDP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043034
s1c(nc2c1CCC2)C(NC1CC1)C1CCCOC1	PC-id_63741849	278.413	FLLSSUMWCJNWSK-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-043035
s1c(nc2c1CCC2)C(NC1CC1)C1CCOCC1	PC-id_62390384	278.413	SUUSCFZEWMFXFC-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-043036
s1c(nc2c1CCC2)C(NC1CC1)C1OC(CC1)C	PC-id_82837628	278.413	IAKGSWWSXBEBFI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043037
CCc1ccc(s1)CC(c1sc2c(c1)CCC2)O	PC-id_113659554	278.433	YGEBGFKJRRLTOT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-043038
CC(C)(C)C1c2c(C(N1C(C)(C)C)C(C)(C)C)ocn2	SCHEMBL20643735,PC-id_137410680	278.433	UGQLDDPUQHVCRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043039
CCCCCCCC(c1cnn2c1OCC2)CCCC	SCHEMBL19410644	278.433	BLJCLBFMQJIWRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043040
Cc1ncsc1CCNCc1sc2c(c1)CCC2	PC-id_62069940,EMOLS-id_314143377	278.436	WUGUHPSLIXTTDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043041
Cc1sc(c(n1)C)CNCc1sc2c(c1)CCC2	EMOLS-id_314674666,PC-id_64539951	278.436	NUPPCRICXKRKNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043042
Cc1sc(nc1C)CNCc1sc2c(c1)CCC2	EMOLS-id_315467420,PC-id_80306668	278.436	JUYQZRXEYVBYKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043043
CCc1ncc(s1)CNCc1cc2c(s1)CCC2	EMOLS-id_314101700,PC-id_61206858	278.436	XJWNPVCMDAYZGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043044
CCc1scc(n1)CNCc1sc2c(c1)CCC2	PC-id_62072060,EMOLS-id_314555052	278.436	VZLDGDPALHTUBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043045
CCNC(c1sc2c(c1)CCC2)Cc1nccs1	PC-id_105015336	278.436	WBAPDMSNBQCOPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043046
CCNC(c1sc2c(c1)CCC2)Cc1scnc1	PC-id_113672891	278.436	NWOBTJVQDQXMDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043047
CNC(c1sc2c(c1)CCC2)Cc1csc(n1)C	PC-id_113669614	278.436	WCWMTMRANJTAOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043048
CNC(c1sc2c(c1)CCC2)Cc1scc(n1)C	PC-id_105019142	278.436	IMAQGJWPQIUHOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043049
CN(CCC(C(C)(C)C)NC1CC(n2c1ncc2)C)C	EMOLS-id_318291462	278.436	ONLFARCBEMFOFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043050
n12CCCc1nnc2C(NC(CCCCCCC)C)C	PC-id_43748113	278.436	DUMSUHRZROQMER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043051
NC(c1sc2c(c1)CCC2)Cc1sc(c(n1)C)C	PC-id_105019621	278.436	GQCNZMBYAVZZBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043052
N(C(CC(C)C)CC(C)C)C(c1n2CCCc2nn1)C	PC-id_43748027	278.436	JHQBJMZSWCLZOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043053
NNC(c1sc2c(c1)CCC2)CCc1cccs1	PC-id_105308869	278.436	FYNLEWAUHBLHPO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-043054
NNC(c1sc2c(c1)CCC2)CCc1ccsc1	PC-id_105306753	278.436	ONPYSRBHSQUTML-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-043055
s1c2c(CCC2)cc1CNC(c1nc(sc1)C)C	PC-id_61209329	278.436	QXBPHAOTNFYPMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043056
s1c2c(CCC2)cc1CNC(c1scnc1C)C	PC-id_61207230	278.436	UQGHWNDOIWSRAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043057
s1c2CCCc2nc1C(NC)c1c(sc(c1)C)C	PC-id_54977136	278.436	CQEUXMFXJYKHFJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043058
s1c2CCCc2nc1C(NC)c1sc(cc1)CC	PC-id_62346829	278.436	DEIRNXXLYZWRNM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043059
s1c2CCCc2nc1C(NCC)c1sccc1C	PC-id_61346961	278.436	ZQEWNMMDPYZGHA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043060
s1c2CCCc2nc1C(NCC)c1sc(cc1)C	PC-id_61347365	278.436	RBAIJSFRCPDYFM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043061
s1c2CCCc2nc1C(NC(C)C)c1ccsc1	PC-id_61333853	278.436	KBAHUNRKOAQRFH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043062
s1c2CCCc2nc1C(NCCC)c1ccsc1	PC-id_61334399	278.436	JGPPOUPWBNVDIF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043063
s1c2CCCc2nc1C(NCCC)c1sccc1	PC-id_61347336	278.436	LGDJQRMXIGNXIV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043064
s1c2CCCc2nc1C(NC(C)C)c1sccc1	PC-id_61347915	278.436	CYVNUPNGGNYGIX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043065
C1CCN(CC1)CCCNCc1sc2c(c1)CCC2	PC-id_104433577	278.456	ZWNVUKNRYXNEJZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043067
CCC1CCCCC1C(c1sc2c(c1)CCC2)NN	PC-id_105309644	278.456	ZDNZLBYTZJAMRZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043068
CCC1CCC(CC1)C(c1sc2c(c1)CCC2)NN	PC-id_105313044	278.456	BCLLWPRYNPMNGX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043069
CCC1CCCC(C1)C(c1sc2c(c1)CCC2)NN	PC-id_113702450	278.456	SDEQEFUVVXUGIN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043070
CC(CN1CCCCC1)NCc1sc2c(c1)CCC2	PC-id_104407202	278.456	BIKFJMONGBFIJA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043071
CCCNC(c1sc2c(n1)CCC2)(CC1CCC1)C	PC-id_116224306	278.456	WZHKKXGSBZJXJD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-043072
CC(NC(c1sc2c(n1)CCC2)(CC1CCC1)C)C	PC-id_116224318	278.456	MMZGXXMOQQTAPU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-043073
NNC(c1sc2c(c1)CCC2)C1CCC(C(C1)C)C	PC-id_113702291	278.456	YLEKGPHTHWMBIZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043074
NNC(c1sc2c(c1)CCC2)C1CC(C)CC(C1)C	PC-id_105312178	278.456	CEVRGQHXMCEDRX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043075
NNC(c1sc2c(c1)CCC2)CCC1CCCCC1	PC-id_114193442	278.456	XBVWAJYPFWGJBP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043076
s1c2c(CCC2)cc1CNC1CCCN(CC1)CC	PC-id_65073965	278.456	FOKVTEGUZRHBHR-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-043077
s1c2c(CCC2)cc1CNCCC1N(CCCC1)C	PC-id_55066829	278.456	YFXAAZNESNVADX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043078
s1c2c(CCC2)cc1CNC(CC1NCCCC1)C	PC-id_79535684	278.456	MLPJGBUDDDKKOQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043079
s1c(CNC2CCN(CC2)C(C)C)cc2c1CCC2	PC-id_61207955	278.456	AFSWCUCTELNSEG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043080
s1c(CNC2C(CN(C(C2)C)C)C)cc2c1CCC2	PC-id_61209328	278.456	DZSQRVBFQCOCEP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043081
s1c(CNC2CCN(CC2)CCC)cc2CCCc12	PC-id_61208344	278.456	PHWYLTGQOLCOSS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043082
s1c(CNC(C2CCCN(C2)C)C)cc2c1CCC2	PC-id_61206838	278.456	CPCMOUXQFBOWKZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043083
s1c(CNC(C2CCN(CC2)C)C)cc2c1CCC2	PC-id_61207026	278.456	CRMSWOKTZSSFFH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043084
s1c(nc2c1CCC2)C(NC1CC1)CCCCCC	PC-id_61335477	278.456	PARPFIJJQKZQKM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043085
s1c(nc2c1CCC2)C(NC1CC1)(CCC(C)C)C	PC-id_61335661	278.456	AVROTRBTOAYGGH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043086
s1c(nc2c1CCC2)C(NC1CC1)(CCC)CCC	PC-id_61336056	278.456	OJMVRXPNQCWRAU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043087
s1c(nc2c1CCC2)C(NC1CC1)(CCCC)CC	PC-id_63952862	278.456	RKIVHZKDUNVDIN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043088
s1c(nc2c1CCC2)C(NC1CC1)(CCCCC)C	PC-id_80558566	278.456	UJNZPQCRCKHKLQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043089
s1c(nc2c1CCC2)C(NCC)(C1CCCCC1)C	PC-id_61332217	278.456	ZEFGIXVPVAHOCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043090
s1c(nc2c1CCC2)C(NCC)C1CCC(CC1)C	PC-id_65907192	278.456	ZRLGRJNIHCUGCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043091
s1c(nc2c1CCC2)C(NCC)C1CC(CCC1)C	PC-id_65922100	278.456	PNTSEFDISURREQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043092
s1c(nc2c1CCC2)C(NCC)C1CCCCCC1	PC-id_65913654	278.456	DQNLSBMCXKTCAF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043093
s1c(nc2c1CCC2)C(NCCC)(C1CCCC1)C	PC-id_62631776	278.456	PTVMCTJQJGKGGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043094
s1c(nc2c1CCC2)C(NC(C)C)(C1CCCC1)C	PC-id_62632130	278.456	TUJFNTOKXZUINQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043095
s1c(nc2c1CCC2)C(NC(C)C)C1CCCCC1	PC-id_61334442	278.456	PJKFHFADCOTECZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043096
s1c(nc2c1CCC2)C(NCCC)C1CCCCC1	PC-id_61334996	278.456	TZINKFVYQHIQDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043097
s1c(nc2c1CCC2)C(NCC)CC1CCCCC1	PC-id_80400581	278.456	QLOKVPHMVHKNEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043098
c12SC(Sc1sc(=O)s2)CCCCCC	PC-id_90470945,MCULE-4255585821,ZINC22_96329109,EMOLS-id_50378075	278.478	HOVYEFTUVNBSDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043099
CS(c1sc(c2c1COC2)S(C)(C)C)(C)C	SCHEMBL20647230,PC-id_137413667	278.497	IKTDOTQVGAENPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043100
c1(C(=O)Nc2c(O)ccc(Cl)c2)c2CCCc2on1	ZINC22_426288,MCULE-9658034402,EMOLS-id_15971916,BindingDB_PC-id_5075956,ChEMBL-DNDi_CHEMBLC226-3248,PC-id_5075956,TIMTEC534949	278.691	WUOPUOJVNJIUCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043101
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1[nH]ccc1	PC-id_20528190,SCHEMBL11265899	278.691	OTNMBTINKKOBRW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-043102
Clc1ncc(CN2CCn3c2c([N+](=O)[O-])cc3)cc1	PC-id_14675681	278.694	KDJRANOBDKYJIA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043103
Clc1cc(ccc1F)NCc1ccc2n1CCC2=O	TIMTEC52112,PC-id_23940087	278.709	BDZPLISCHWQZSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043104
n12ncnc1sc(=CNc1ccc(cc1)Cl)c2=O	MCULE-1442172386	278.717	RRUZWWDODYWOQL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-043105
O=c1/c(=C/Nc2ccc(Cl)cc2)/sc2ncnn12	ZINC22_256055749,PC-id_117588261	278.717	RRUZWWDODYWOQL-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-043106
COc1ccc(cc1NC1CC(n2c1ncn2)C)Cl	EMOLS-id_318384080,MCULE-6762855369	278.737	ZCFGZMDDZPQVPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043107
COc1ccc(c(c1)NC1CC(n2c1ncn2)C)Cl	MCULE-7194169184,EMOLS-id_318503943	278.737	PWCWFZMAMMTHQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043108
COc1cc(Cl)ccc1NC1CC(n2c1ncn2)C	MCULE-5895112730,EMOLS-id_318465184	278.737	AAXSXKNMTKDIOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043109
CNc1nc(NCc2nn3c(c2)CCC3)ncc1Cl	EMOLS-id_318848042	278.741	HBQZYUXCCUDZAA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043110
CC1CCc2c1c(CCl)nn2Cc1ccccc1F	MCULE-8600127775,EMOLS-id_331025416	278.752	SZSVRQQDQYVWNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043111
CC1CCc2c1c(CCl)nn2Cc1cccc(F)c1	EMOLS-id_331023881,MCULE-6755509333	278.752	HPBXJGSRRGHIJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043112
CC1CCc2c1c(CCl)nn2Cc1ccc(F)cc1	MCULE-6148819450,EMOLS-id_331022856	278.752	LWUOKYRSAJTRMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043113
CC1CCc2c1c(Cl)nn2Cc1ccc(C)cc1F	EMOLS-id_330973424,MCULE-3872857408	278.752	XUXZTAVZZSCICE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043114
CC1CCc2c1c(Cl)nn2Cc1cc(C)ccc1F	EMOLS-id_330975728,MCULE-7322328263	278.752	XBWKZJNNYNOZTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043115
CC1CCc2c1c(Cl)nn2Cc1cccc(C)c1F	MCULE-3736530357,EMOLS-id_330975984	278.752	PPXJPKGLQCOBLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043116
CC1CCc2c1c(Cl)nn2Cc1ccc(C)c(F)c1	EMOLS-id_330973183,MCULE-5537949887	278.752	XTYXNDLLAZIFCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043117
CC1CCc2c1c(Cl)nn2Cc1cccc(F)c1C	MCULE-7264075108,EMOLS-id_330974193	278.752	FJPGVYCGLNTWRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043118
CC1CCc2c1c(Cl)nn2Cc1ccc(F)cc1C	MCULE-1213746559,EMOLS-id_330973936	278.752	RPUFZMNXZLQRCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043119
CC1CCc2c1c(Cl)nn2Cc1ccc(F)c(C)c1	MCULE-4929805869,EMOLS-id_330973680	278.752	NIHYNQHSZWHGFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043120
CC1CCc2c1c(Cl)nn2Cc1cc(F)ccc1C	EMOLS-id_330974449,MCULE-1440850589	278.752	CYEJXOPQLBLLCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043121
CC1CCc2nn(Cc3ccccc3F)c(CCl)c12	EMOLS-id_331009458,MCULE-4560107068	278.752	VPKKRYWGHSSWAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043122
CC1CCc2nn(Cc3ccc(C)cc3F)c(Cl)c12	EMOLS-id_331019948,MCULE-6411176752	278.752	YVVXPKQKCCBKGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043123
CC1CCc2nn(Cc3cc(C)ccc3F)c(Cl)c12	EMOLS-id_331022252,MCULE-8142060975	278.752	QUECEGCWPUTSHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043124
CC1CCc2nn(Cc3cccc(C)c3F)c(Cl)c12	MCULE-1686167486,EMOLS-id_331018413	278.752	GGTCTYHTDBXQBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043125
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(Cl)c12	MCULE-9176745060,EMOLS-id_331019692	278.752	HRPLMGQPOKCDKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043126
CC1CCc2nn(Cc3cccc(F)c3C)c(Cl)c12	EMOLS-id_331020717,MCULE-7225356448	278.752	CVIQQJCJWCAUCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043127
CC1CCc2nn(Cc3cccc(F)c3)c(CCl)c12	MCULE-2344096545,EMOLS-id_331007923	278.752	RHRWTROOMLOBJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043128
CC1CCc2nn(Cc3ccc(F)cc3)c(CCl)c12	EMOLS-id_331006898,MCULE-8082850784	278.752	WKSIVOPQHPAJSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043129
CC1CCc2nn(Cc3ccc(F)cc3C)c(Cl)c12	EMOLS-id_331020460,MCULE-8632697098	278.752	HKBOQVYBKUHCHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043130
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(Cl)c12	MCULE-7759829974,EMOLS-id_331020204	278.752	BWGSAPDWTJGPLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043131
CC1CCc2nn(Cc3cc(F)ccc3C)c(Cl)c12	EMOLS-id_331020973,MCULE-6829833738	278.752	LOZNLXXQORYIKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043132
CC(c1ccccc1F)n1nc2CCC(C)c2c1Cl	MCULE-7722618721,EMOLS-id_330959801	278.752	JKVZYOCEGMGVRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043133
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1Cl	MCULE-4578618576,EMOLS-id_330959031	278.752	JVVWLSFDOKIAOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043134
c1(snc2CCCc12)NC(=O)c1ccc(cc1)Cl	MCULE-5871579180,PC-id_54774437	278.757	OLJMIURHVDCKQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043135
c1(snc2CCCc12)NC(=O)c1ccccc1Cl	PC-id_54774427,MCULE-9377471164	278.757	ZHIGRIQLKNDPQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043136
c1(snc2CCCc12)NC(=O)c1cccc(Cl)c1	MCULE-1094620359,PC-id_54774436	278.757	SOKYHQIRBRIZHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043137
Clc1ccccc1C(=O)Nc1nc2CCCc2s1	CoCoCo_4163995,MCULE-7167286532,ZINC22_6527379,EMOLS-id_17194290,PC-id_3398913	278.757	VURCVMYWKUKQTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043138
Clc1cccc(c1)C(=O)Nc1nc2CCCc2s1	CoCoCo_4164014,ZINC22_6526339,MCULE-3456589972,EMOLS-id_18877182,PC-id_3633204	278.757	DYRZEHYDOIYLIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043139
Clc1ccc(cc1)C(=O)Nc1nc2CCCc2s1	ZINC22_6526659,MCULE-6983489317,CoCoCo_4164001,EMOLS-id_21277110,PC-id_4145927	278.757	NGYUSQFLWZTDDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043140
Clc1cccc(n1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_315891342,PC-id_115683260	278.757	RBOBXAFBFYRKAX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043141
Clc1ccnc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_115627262	278.757	WNDIHZKQIKTVIU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043142
Clc1nccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_108206300	278.757	BDKIKXUNVHETON-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043143
Nc1c(C(=O)c2ncc(Cl)cc2)c2c(CCC2)s1	ZINC22_95883310,EMOLS-id_48609300,MCULE-8060613805,PC-id_75480910	278.757	ASAWKMZRQKUVQV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043144
O=C(c1sc2c(c1)CCC2)Nc1cnccc1Cl	PC-id_103745033	278.757	ZCHNMKLLWJPWQR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043145
O=C(c1sc2c(c1)CCC2)Nc1ncccc1Cl	PC-id_103943561	278.757	JYVBGZLFONEVTQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043146
O=C(Nc1ccc(Cl)nc1)c1cc2c(s1)CCC2	MCULE-6566474686,EMOLS-id_323946996,ZINC22_103746819	278.757	HWQBPXRBSFZXIO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043147
ClCCS(=O)(=O)N(Cc1nnc2n1CCC2)C	PC-id_107651139	278.759	PBPRTEPPYUERMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043148
ClCCS(=O)(=O)NC(c1nnc2n1CCC2)C	PC-id_107651266	278.759	IFPNVGMRUTZVLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043149
Clc1ccc(CC(O)c2sc3c(CCC3)c2)cc1	PC-id_63017886	278.797	BNCRKCHEZXLZJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043150
Clc1cc(CC(O)c2sc3c(CCC3)c2)ccc1	PC-id_63018496	278.797	QFKKDRNOEBNNOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043151
Clc1c(CC(O)c2sc3c(CCC3)c2)cccc1	PC-id_63016893	278.797	RIHXQKVDKAPQDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043152
ClC(c1sc2c(CCC2)c1)c1ccc(OC)cc1	PC-id_61084503	278.797	FHKKQBGKOHKMDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043153
Cl/C=C/C=C(/c1c(C)sc2c1CC(C2=O)C)C=C	PC-id_142211179	278.797	ZSAGJYFWSINCEE-YXJPLFFZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043154
OC(c1ccc(c(c1)Cl)C)c1sc2c(c1)CCC2	PC-id_113974897	278.797	FUGBUTUUUKHRIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043155
Clc1ccc(c(c1)C)C(c1sc2c(n1)CCC2)N	PC-id_108386523	278.8	NOXPFSLOSQABCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043156
Clc1ccc(C(NC)c2sc3CCCc3n2)cc1	PC-id_61332351	278.8	MCZDMZZKCFWCSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043157
Clc1ccc(C(N)Cc2sc3CCCc3n2)cc1	PC-id_82066877	278.8	BQFCQCDNJQBFLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043158
Clc1cc(C(N)c2sc3CCCc3n2)c(cc1)C	PC-id_83348986	278.8	LGIFPLGRNNJYOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043159
Clc1cc(C(NC)c2sc3CCCc3n2)ccc1	PC-id_61332542	278.8	DUCZVKLNBKUTOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043160
Clc1c(C(N)c2sc3CCCc3n2)cccc1C	PC-id_83348987	278.8	DOSOXDZDNAFCBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043161
Clc1c(CNCc2sc3c(CCC3)c2)ccnc1	PC-id_65688557,EMOLS-id_315311781	278.8	QMEKFJTXLFPMPU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043162
Clc1c(C(NC)c2sc3CCCc3n2)cccc1	PC-id_61330578	278.8	ABPUQZPBSPWTQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043163
Clc1n(nc2c1CSC2)CCCc1ccccc1	PC-id_83192331	278.8	TWBZREBXNUFOIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043164
Clc1sc2c(c1)C(CC2)NCc1ccncc1C	PC-id_114698841	278.8	PBDRJUOBCMZNPX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043165
Clc1sc2c(c1)C(CC2)NCc1cnccc1C	PC-id_114954707	278.8	DXZYBORVSBMHNL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043166
Clc1sc2CCC(Nc3c(nc(cc3)C)C)c2c1	PC-id_81252611	278.8	XPZRIPWJCQXXSL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043167
Clc1sc2CCC(NCc3ccc(nc3)C)c2c1	PC-id_81252300	278.8	SYRBCNBEEWFFCK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043168
Clc1sc2CCC(NCc3nc(ccc3)C)c2c1	PC-id_81252702	278.8	MHZOXJUJPUYCEN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043169
Clc1sc2c(C(NC(c3cccnc3)C)CC2)c1	PC-id_81251401	278.8	XFXWSJZTJSJXDR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043170
Clc1sc2c(C(NC(c3ccncc3)C)CC2)c1	PC-id_81252885	278.8	WZSVSHWEKQQIQQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043171
Clc1sc2c(C(NCc3ncccc3C)CC2)c1	PC-id_81251742	278.8	CFXQHPGXMONGJR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043172
Clc1sc2c(C(NC(c3ncccc3)C)CC2)c1	PC-id_81251830	278.8	IPPNTWHWTPPHID-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043173
Clc1sc2c(C(NCCc3cccnc3)CC2)c1	PC-id_81251417	278.8	VMEALHXWTFQDNS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043174
Clc1sc2c(C(NCCc3ccncc3)CC2)c1	PC-id_81251609	278.8	ATEGJRIWFCRHJB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043175
Clc1sc2c(C(NCCc3ncccc3)CC2)c1	PC-id_81251397	278.8	KSJPHHYLSJVIDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043176
Clc1sc2c(C(N[C@H](c3cccnc3)C)CC2)c1	PC-id_81406457	278.8	XFXWSJZTJSJXDR-QHGLUPRGSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043177
Clc1sc2c(C(N[C@@H](c3cccnc3)C)CC2)c1	PC-id_81407148	278.8	XFXWSJZTJSJXDR-PKEIRNPWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043178
Clc1sc2c(C(N[C@@H](c3ccncc3)C)CC2)c1	PC-id_81406020	278.8	WZSVSHWEKQQIQQ-PKEIRNPWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043179
Clc1sc2c(C(N[C@H](c3ccncc3)C)CC2)c1	PC-id_81406200	278.8	WZSVSHWEKQQIQQ-QHGLUPRGSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043180
Clc1sc2c(C(N[C@H](c3ncccc3)C)CC2)c1	PC-id_81401544	278.8	IPPNTWHWTPPHID-QHGLUPRGSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043181
Clc1sc2c(C(N[C@@H](c3ncccc3)C)CC2)c1	PC-id_81401728	278.8	IPPNTWHWTPPHID-PKEIRNPWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043182
NC(c1ccc(c(c1)Cl)C)c1sc2c(n1)CCC2	PC-id_113880570	278.8	YPWWDJCIZRZPJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043183
NC(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_112655439	278.8	YPZITTOTCPRYJD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043184
NNC(c1ccccc1Cl)c1sc2c(c1)CCC2	PC-id_105287354	278.8	YQRYUHWJZPGNOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043185
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)Cl	PC-id_105281137	278.8	SXVFQNAAGBNITL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043186
NNC(c1sc2c(c1)CCC2)c1cccc(c1)Cl	PC-id_105289179	278.8	KZVTZTGIBLIWBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043187
BrC1c2n(C(=O)C1Br)ccc2	PC-id_85178041	278.929	OWGPOUJSMNOFAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043188
BrC1c2n(C(=O)C1)cc(Br)c2	PC-id_85568320	278.929	SRDIUMUWLAVPTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043189
Br[C@@H]1c2n(C(=O)[C@H]1Br)ccc2	PC-id_10540601	278.929	OWGPOUJSMNOFAB-RITPCOANSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043190
c12c(C(=N)C(=O)O1)oc(c2I)O	PC-id_137196463	278.989	SPTZLHKQQJJCJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043191
C1CC2=CC(=C(N2C1)C(=O)C3=CC=C(C=C3)Cl)Cl	PC-id_154288407	279.022	PWBKAQWARDLAII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043192
CCOC1(CCC2=C1SC=C2)NC(=O)C(F)(F)F	PC-id_153785721	279.054	IKKWQIYYVCSQGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043193
O=C1c2sccc2C(=O)N1I	SCHEMBL19333899	279.055	LOFUGECGLSVBED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043194
CC1=N[NH2+]c2c(c(nn12)Oc1ccccc1OC)Cl	PC-id_163649915	279.064	ILJRHZLGBYUHID-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-043195
C1C2=CN(N=C2CN1C(=O)CCO)SC3=CC=NN3	PC-id_164871999	279.079	DQRXHEWEPRXGAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043196
CCOC(C1CN2C(=CC(=N2)C(=O)N)O1)C(F)(F)F	PC-id_151298679	279.083	OBYMPAMQOOPCNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043197
c1(C=O)c2CNCc2sc1I	EMOLS-id_331065646,MCULE-5888674537	279.098	WWVFCOXRKAVBCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043198
Ic1cc2c(s1)C(=O)C[C@H]2N	CoCoCo_5756459	279.098	CLSHXFRXSGWSDM-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043199
Ic1cc2c(s1)C(=O)C[C@@H]2N	CoCoCo_5756460	279.098	CLSHXFRXSGWSDM-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043200
Ic1sc2c(C(N)CC2=O)c1	PC-id_391063	279.098	CLSHXFRXSGWSDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043201
C1CCNC(=O)C(C1)NC(=O)C2=NC3=C(S2)CCC3	PC-id_154794753	279.104	WYSGKZJBKVLQRD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043202
C/C=C(C=C)/SN1C=C2CN(CC2=N1)C(=O)CCO	PC-id_164871983	279.104	GHSYKDKWGJZHFF-NYYWCZLTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043203
C=CC(=O)NCCC(=O)NCC1=NC2=C(S1)CCC2	PC-id_154803205,ZINC22_927656321,MCULE-1420413179	279.104	LTNIADLEBZIQIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043204
Brc1sc(c2OCOc12)C(=O)OCC	SCHEMBL8541114,PC-id_12197947	279.108	ZLPMCCLBQXWJLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043205
CC(C)(C)OC(=O)N1C(=CC2=C1C(=O)CC2)C(=O)OC	MCULE-6282569351,EMOLS-id_324077583,ZINC22_1857793882,PC-id_154791353	279.111	ORDPCGBDBMDCDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043207
CCOC(=O)C1=C2CCCN2C(=C1)C(=O)C(=O)OCC	PC-id_154663335,EMOLS-id_324191051	279.111	LHQOIEMOMFKTAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043208
CC(C)(C1=NSC(=N1)NC2CC3=CN=CN3C2)OC	PC-id_154787502,EMOLS-id_317783748,MCULE-7857298421	279.115	HAGOMADGMDRIFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043209
CC1CCc2c1c(CBr)nn2CC(F)F	EMOLS-id_331031053,MCULE-7710044439	279.124	BSHOXSKKGLUHDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043210
CC1CCc2nn(CC(F)F)c(CBr)c12	MCULE-3608890993,EMOLS-id_331015356	279.124	IPYUWTXKKMUILS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043211
Brc1sc(c2c1SCC2=O)C(=O)O	PC-id_84019697	279.131	ZDQKSUNGXXJNHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043212
c12CCCc1sc(CN)c2I	EMOLS-id_330873152,MCULE-1037925988	279.141	PCIDZARJBWKXSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043213
c1(CN)c2CCCc2sc1I	MCULE-9453678215,EMOLS-id_331060776	279.141	UVONNTHPRXTLBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043214
CN1Cc2c(C1)c(sc2I)C	SCHEMBL20892614,PC-id_138538756	279.141	OIHSURDBPGGWTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043215
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C(C)(C)C)C	PC-id_160715202	279.146	RSJKNAUXGHSKQH-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-043216
C1CC2=COC(=C2C1)C(=O)NC[C@]3(CCOC3)CCO	PC-id_164641456,ZINC22_585081847	279.147	LBFSGTAWSKPLBQ-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043217
Brc1c2CS(=O)(=O)Cc2oc1C(C)C	PC-id_84811522	279.151	DRTIBTIEVWFBDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043218
Brc1nn(c2c1CS(=O)(=O)C2)C(C)C	PC-id_105521137	279.154	SSBXVQCNXUVPMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043219
Brc1n(nc2c1CS(=O)(=O)C2)C(C)C	PC-id_59050211	279.154	BVADQNZZYHDLOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043220
CCCN(CC)C(=O)CN1C2=C(CCC2)C(=N1)C(=O)O	PC-id_153600057	279.158	AUYXBRCTJTUUPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043221
Clc1c(C=C2CCc3c2n(nc3)C)ccc(Cl)c1	PC-id_3984488	279.164	SELSEJVDBABFEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043222
Clc1c(/C=C/2CCc3c2n(nc3)C)ccc(Cl)c1	PC-id_5977756	279.164	SELSEJVDBABFEC-UXBLZVDNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043223
c1(C(=O)OC)c2CSCc2sc1Br	MCULE-2591985528,EMOLS-id_331059755	279.174	YPTFXCQZWFZRDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043224
c1(C(=O)OC)sc2CSCc2c1Br	SCHEMBL15193906,EMOLS-id_330873666,MCULE-8437493725,PC-id_86692645	279.174	YZPDGBMBPWSCMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043225
ClC(Cl)C(=O)NCCc1nc2CCCc2s1	PC-id_110462087,EMOLS-id_181143264,MCULE-1649400063	279.186	LZQYIUHKOHPGJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043226
O=C(c1cc2n(n1)CCO2)N1CC(C(C1)(F)F)(F)F	EMOLS-id_102907425	279.191	WJIURPIZRRHXPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043227
c12CN(Cc1nn(CC(F)F)c2C#C)CC(F)(F)F	EMOLS-id_324359520,MCULE-9302036996	279.209	DFQHGNPDDUVLLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043228
c12CN(Cc1nn(CC(F)(F)F)c2O)C(=O)OCC	MCULE-7363559464,EMOLS-id_324340329	279.216	VCOWBTVFLLSCSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043229
C1Cc2c(C1OC(=O)C(F)(F)F)c(cs2)C(=O)N	SCHEMBL14915944,PC-id_89541819	279.236	ZJUXZIBJFSFWER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043230
OC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCc12	PC-id_28860310,EMOLS-id_96132502,SCHEMBL20541969	279.236	HOYBWMPCSNHYNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043231
O=C(c1c(F)cncc1F)NC1CC(n2c1ncn2)C	EMOLS-id_320260282,MCULE-5777345018	279.245	GNUJQYACOINOMS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043232
O=C(C1NCc2c1c[nH]n2)Nc1cncc(c1)C(F)F	EMOLS-id_319483017	279.245	PYNDQPAKHLUIDI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043233
O=C(N1CCn2c1ccn2)c1ccn(n1)C1CC1(F)F	EMOLS-id_318934939	279.245	OXZGODJWLYOWLJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-043234
O=C(N1CCn2c1ccn2)c1ccnn1C1CC1(F)F	MCULE-6911366110,EMOLS-id_320272125	279.245	JKBKHDSIEHFBHI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-043235
O=C(N1CCn2c1ncc2)c1ccn(n1)C1CC1(F)F	MCULE-1882233826,EMOLS-id_319983050	279.245	ZPRUPAYHDAXDEF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-043236
Cc1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324841198	279.265	XPWUMGGGHPZERL-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-043237
Cc1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324840686	279.265	XLYBGYLPDWGKNP-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-043238
Cc1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324841700	279.265	QIKHXTDUDGQHHA-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-043239
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)C	MCULE-4723043321	279.265	QIKHXTDUDGQHHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-043240
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)C	MCULE-6103555918	279.265	XPWUMGGGHPZERL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-043241
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)C	MCULE-8937959973	279.265	XLYBGYLPDWGKNP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-043242
C1COc2c(c(nn12)C(=O)NCCCn1ccnc1)F	PC-id_91960103	279.27	HNIVFADHERMCBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043243
O=C(c1noc(c1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_107369391	279.272	HKTWRGJYLBTLML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043244
s1c(C(=O)Nc2onc3CCCc23)ccc1[N+](=O)[O-]	PC-id_16942295	279.272	CRESKXJMPJZPSY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043245
O=C(NCc1n2CCCc2nn1)C1NC([O-])NC(=O)C1	PC-id_75770530	279.275	CHDHSBOHKZJGFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043246
CCOC(=O)C1CCc2c1nc(s2)CC(F)(F)F	PC-id_104287105	279.279	PQXLEQLDBYNHRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043247
O=C(c1sc2c(c1)CCC2)NCC(C(F)(F)F)O	PC-id_113255793	279.279	ROEDEWOSJFCRBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043248
s1c2CCCc2cc1CNC(=O)OCC(F)(F)F	PC-id_61939276	279.279	MLGYFJUOIARERZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043249
c1(C(=O)NCC)c2CSCc2nn1CC(F)(F)F	MCULE-3394203756,EMOLS-id_324399952	279.282	OHXBCOGQFFWBNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043250
O=C(C(C(F)(F)F)(N)C)Nc1sc2c(n1)CCC2	PC-id_79805203,EMOLS-id_260352912	279.282	UWRMMHYEAYFTBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043251
O=C(Nc1sc2c(n1)CCC2)CNCC(F)(F)F	EMOLS-id_315147337,PC-id_78924513	279.282	FIQOXZYBPGIEGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043252
CC1CC1C(=O)c1nn2C(CC(c2n1)F)C(=C)C(=C)F	SCHEMBL20646012,PC-id_137412592	279.285	PMDVPYBHERODFT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043253
C[C@H]1C[C@@H]1C(=O)c1nn2[C@@H](C[C@@H](c2n1)F)C(=C)C(=C)F	PC-id_137412585,SCHEMBL20646005	279.285	PMDVPYBHERODFT-JGBZZBSPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043254
COc1c(cc(cc1F)F)NC1CC(n2c1ncc2)C	MCULE-4526593618,EMOLS-id_318451756	279.285	BUCBOGQYZKZHSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043255
COc1cc(F)c(cc1NCc1cnc2n1CCC2)F	EMOLS-id_318179896,MCULE-3758255704	279.285	ZJVXIDPFUMKALS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043256
COc1c(NCc2cnc3n2CCC3)cc(cc1F)F	EMOLS-id_318741038,MCULE-3542508035	279.285	QHCKWJAVALCFCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043257
FC(Oc1cc(ccc1C)NC1CCn2c1ncc2)F	EMOLS-id_318088253,MCULE-8021366739	279.285	GUBUHJYMCQURHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043258
FC(Oc1cccc(c1)NC1CC(n2c1ncc2)C)F	MCULE-3474114002,EMOLS-id_317916842	279.285	WADXDILQHDZXRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043259
CCOC(=O)C1(CCn2c1ccc2C=O)C(=O)OCC	PC-id_102048217	279.288	HILOJJNFKQKOAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043260
CCOC(=O)C(=O)c1c(C)c(C(=O)OC)c2CCCn12	EMOLS-id_336520060,MCULE-9066220699	279.288	IDRGLDBSKYNXKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043261
CCOC(=O)C(=O)c1c(C)c(C(=O)OC)n2CCCc12	EMOLS-id_324035789,SCHEMBL19900952,PC-id_134285238	279.288	GXWYXULRLAFDFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043262
COC(=O)c1cc2C(=O)CCc2n1C(=O)OC(C)(C)C	PC-id_59180135,EMOLS-id_317491928,SCHEMBL1003642	279.288	ZKLOXNKZBLQLOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043263
COC(=O)[C@@]1(C[C@H](C1)O)NC(=O)c1occ2c1CCC2	EMOLS-id_319627245	279.288	IFSNSBBCCIUWHA-DEZZCRIOSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043264
OC(=O)C1(O)CCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_318833500	279.288	FGXRNYPCWYAQGJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043265
CC(c1c(F)cncc1F)NC1CC(n2c1ncn2)C	MCULE-2440784116,EMOLS-id_318460343	279.289	MOBDAGXDHXJDSB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043266
CC(c1nnc2n1CCC2)Nc1ccnc(c1)C(F)F	MCULE-4324106077,EMOLS-id_318535284	279.289	UFNKIMUEZDYZFU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043267
FC1(F)CC1n1ncc(c1)CNC1CCn2c1ncc2	EMOLS-id_319039890	279.289	KCVXRZXEOLZRLR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-043268
C#Cc1ccc(cc1)C(=O)C1(CCn2c1ccc2)C(=O)O	PC-id_88672726,SCHEMBL10816595	279.29	SKLNCPVNFYNSHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043269
C#Cc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	CHEMBL9235,SCHEMBL10812427,PC-id_13487063	279.29	FJQDMLDCGWFNJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043270
Fc1cnc(c(c1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_114034410	279.29	ZULXYRAYGILCEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043271
OC(=O)C1CCc2c1nc(s2)Nc1cncc(c1)F	PC-id_114254082	279.29	DTTMIROSKXSPMG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043272
OC(=O)c1ccnc(c1F)Nc1sc2c(n1)CCC2	PC-id_113710169	279.29	XXRHDQFZXUTDII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043273
S1Cc2c(noc2NC(=O)Nc2ccc(F)cc2)C1	PC-id_49720613	279.29	POLGKDPAOFOTCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043274
S1Cc2c(noc2NC(=O)Nc2c(F)cccc2)C1	PC-id_49720617	279.29	COJDTRBBHKKHSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043275
c12CN(Cc1nn(CC1CC1)c2C(=O)OC)C(=O)OC	MCULE-2036725644,EMOLS-id_324344171	279.292	MVYATKMZGHOTGY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043276
c12CN(Cc1nn(CC1CC1)c2C(=O)O)C(=O)OCC	EMOLS-id_324343400,MCULE-9098910518	279.292	HTKRTOTUNWSTKS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043277
c1(c2CCCc2[nH]n1)C(=O)N1CCOCC(C(=O)O)C1	EMOLS-id_317866161,MCULE-2343243582	279.292	WXXQYYFLHJLRLF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043278
CC1CCCN(C1C(=O)O)C(=O)c1nn2c(c1)OCC2	EMOLS-id_319407470	279.292	OFCXBYASUVNFHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043279
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C(=O)O)O1	EMOLS-id_316938881,ZINC22_909897166,MCULE-2527609231	279.292	ZMYHAZGGDFCFIR-GMSGAONNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043280
COC(=O)C1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959887	279.292	FRIZRVAFXUVRJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043281
COC(=O)c1c(NC(=O)[C@H]2CCCO2)nc2n1CCC2	EMOLS-id_177354680,MCULE-4316387000,ZINC22_585126365	279.292	XJIVMDBSYNPBNB-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043282
COC(=O)C1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110521119	279.292	ZKLWHNCIOVJSBJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043283
O=C(c1cc2n(n1)CCO2)N1CCC(CC1)(C)C(=O)O	EMOLS-id_258060425,MCULE-5275989878	279.292	FHHIKRBWHQZCSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043284
O=C(c1cc2n(n1)CCO2)NC1CCC(CC1)C(=O)O	EMOLS-id_278685617	279.292	DCPYNSZLAHBQMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043285
OCC(=O)N1Cc2c(C1)nc(o2)C(=O)NC1CCCC1	PC-id_97404563	279.292	IHMSLWSURUAPTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043286
O[C@@H]1COC[C@H]1N(C(=O)c1nn2c(c1)OCC2)C1CC1	EMOLS-id_319425163	279.292	QUQYSQZPFUVHPA-GHMZBOCLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043287
OC(=O)C1CCC(N(C1)C(=O)c1nn2c(c1)OCC2)C	MCULE-9267408235,EMOLS-id_320250746	279.292	MZFCLNHYERQEJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043288
OC(=O)C1(C)OCCN(C1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_278915547	279.292	JMFKKKBPRGVDKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043289
OC(=O)C1(C)OCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_278915504	279.292	ADGPUZRYTXHGGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043290
OC(=O)CC1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_258060110,MCULE-3649672482	279.292	HIZGMTBSGZGLTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043291
O=C(O)[C@H]1COCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_1772811659	279.292	WXXQYYFLHJLRLF-MRVPVSSYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043292
O=C(O)[C@@H]1COCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_1772811660	279.292	WXXQYYFLHJLRLF-QMMMGPOBSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043293
s1c2c(CCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)N	PC-id_7303293	279.292	IBRIYRXUASBBOC-SNAWJCMRSA-M	00000010100000000000000010000000000000000000000000000000	25-01-043294
s1c2c(CCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)N	PC-id_78470234	279.292	IBRIYRXUASBBOC-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-043295
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)CCC(=O)C	SCHEMBL12307446,PC-id_46184651	279.295	YVNDNHIZSHKFAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043296
OC1NC(=O)CC(C1)C(=O)NCc1n2CCCc2nn1	PC-id_75770536	279.295	WKRCBORSIBZERP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043297
O=C(c1cccc(c1)n1cccn1)N1Cc2c(C1)cn[nH]2	MCULE-5969689087,EMOLS-id_316809351	279.297	NOWREDGSGIBRSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-043298
Fc1ccc(c(c1)F)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2456117,PC-id_21955873	279.305	LHDRBOPXDOEQJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043299
s1c2CCCc2cc1C(=O)Nc1cc(F)c(F)cc1	PC-id_9210238	279.305	JUGBIPPQLXRHRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043300
s1c2CCCc2cc1C(=O)Nc1c(F)cc(F)cc1	PC-id_9209324	279.305	AYPRJIPKKRDHPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043301
FC(C(CS(=O)(=O)N1Cc2c(C1)cn[nH]2)(C)C)F	EMOLS-id_320170059,MCULE-8007752805	279.307	VQWNMLIJXBCMNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043302
FC(C(CS(=O)(=O)N1CCn2c1ncc2)(C)C)F	EMOLS-id_319175649	279.307	UVYPGELIPLSJKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043303
Cc1cc(OCC(=O)Nc2nc3c(s2)CCC3)no1	MCULE-2454528159,ZINC22_25768448,PC-id_33040125,CoCoCo_4164086,EMOLS-id_27367594	279.315	SYUNKMPCVVISAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043304
C([C@H](N)C(=O)Nc1sc2CCCc2c1C#N)C(=O)O	EMOLS-id_328003856,MCULE-1536517553	279.315	WGJKJNFAVYRVGC-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043305
C([C@H](N)C(=O)O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328004368,MCULE-8853364118	279.315	DZXITTOCDYQELX-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043306
CCOC(=O)c1coc(n1)Nc1sc2c(n1)CCC2	PC-id_113377196	279.315	XZGDHWZPLBJAJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043307
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccccc1O	EMOLS-id_316411169,MCULE-8084808339	279.315	WFOVWFIZIGINQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043308
C(=O)(Nc1sc2CCCc2c1C#N)CNCC(=O)O	MCULE-1482105858,EMOLS-id_328091148	279.315	AWQHSZBDISCQRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043309
O=C1CC(C(=O)N1)CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_316599015	279.315	HJFRWZXXBDTFLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043310
O=C(CN1C(=O)CCC1=O)Nc1sc2c(n1)CCC2	PC-id_40019221,CoCoCo_4758934,MCULE-6994860423,EMOLS-id_24073582	279.315	MNUXQILZKFGERG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043311
OCCNC(=O)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_6534133,PC-id_35714754	279.315	WUVYGPFZVZYUAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043312
OC(=O)C1CCc2c1nc(s2)NCc1ncc(o1)C	PC-id_114181074	279.315	SWFCREFKLJYDSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043313
OC(=O)C1CCc2c1nc(s2)NCc1noc(c1)C	PC-id_113395726	279.315	RBKWKEBUFOCXQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043314
OC(=O)C1CCc2c1nc(s2)NCc1onc(c1)C	PC-id_104288404	279.315	JJVURUFULAWPTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043315
s1c2c(CCC2)c(c1NC(=O)C(N)CC(=O)O)C#N	PC-id_64895756	279.315	WGJKJNFAVYRVGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043316
s1c2CCCc2nc1NC(=O)NC(CC#C)C(=O)O	PC-id_81771593	279.315	CKUFAMJXEFCTAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043317
s1c2CCCc2nc1NC(=O)N(CC(=O)O)CC#C	PC-id_79283176	279.315	RPLVZIRTKSMJSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043318
s1c2CN(Cc2nc1N)Cc1oc(cc1)C(=O)OC	PC-id_82194263	279.315	HJBLJKORCYVBDP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-043319
c1(c2CCCc2n[nH]1)C(=O)/N=c/1[nH]nc(COC)s1	EMOLS-id_49403663,STOCK7S-40783,ZINC22_95474322,MCULE-2996694702,EMOLS-id_48563698,PC-id_71702998	279.318	OURZFMOZMRGRQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043320
c1(NC(=O)C2=NNC(=O)CC2)n(C)nc2CSCc12	EMOLS-id_334564799,MCULE-7090129351	279.318	ZCEUNPIPJYKUFT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-043321
Cc1ccnc(n1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97699130	279.318	PCCBSVQQXGCDKD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043322
Cc1ncc(cn1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970797	279.318	HJCWIEZWUXFKDJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043323
CC(=O)N1CCN(/C=c/2sc3ncnn3c2=O)CC1	ZINC22_618254950	279.318	KROSUJUCBBANCS-TWGQIWQCSA-N	00000000100010000001000010000000000000000000000000000000	25-01-043324
CN(c1cccnn1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_333047889	279.318	AHZGCAKYMWNHNM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043325
CN(S(=O)(=O)c1cnc2n1CCC2)c1nccnc1	EMOLS-id_98184833	279.318	YVOPDRXWKGAEFV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043326
COCc1cnc(s1)NC(=O)N1CCn2c1ncc2	EMOLS-id_316666454	279.318	JCXPCIKQLIOAMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043327
n12ncnc1sc(=CN1CCN(CC1)C(=O)C)c2=O	MCULE-7725455487	279.318	KROSUJUCBBANCS-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-043328
OCCn1nnc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319363244	279.318	DGLWQBOEDYXZHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043329
OC(=O)C1CCc2c1nc(s2)NCc1ncn(n1)C	PC-id_105901207	279.318	SXXSCPNLVILVBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043330
OC(=O)C1CCc2c1nc(s2)NC(c1ncn[nH]1)C	PC-id_106284042	279.318	SOEANCUUUPUHTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043331
OC(=O)C1CCc2c1nc(s2)N(Cc1ncn[nH]1)C	PC-id_113395802	279.318	SJQDJSUOCMQVNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043332
OC(=O)C1CCc2c1nc(s2)NCc1nncn1C	PC-id_104288572	279.318	ATJXQQWSFBQYJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043333
OC(=O)C1CCc2c1nc(s2)NCCc1ncn[nH]1	PC-id_104288947	279.318	IYNSXODNRSFEAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043334
OC(=O)C1CCc2c1nc(s2)NCCn1nncc1	PC-id_113413311	279.318	FZQFHEIULGASSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043335
c1(NC(=O)CCn2cnnn2)n(C)nc2CSCc12	STOCK7S-60128,MCULE-8384337532,EMOLS-id_104686890,ZINC22_524733847	279.322	VQCPKFMNVCSVQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043336
Cc1nnc(NC(=O)NCc2nnc3n2CCC3)s1	MCULE-2070903874,PC-id_45821082,ZINC22_43408390,EMOLS-id_31944807	279.322	QRCROSHMOAJIAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043337
CN(Cc1nnc2n1CCC2)C(=O)Nc1nncs1	PC-id_53501910,ZINC22_65407775,EMOLS-id_35707254,MCULE-1407990377	279.322	FLLJPNYSPUJGES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043338
OC(=O)c1sc2CNCc2c1I	EMOLS-id_330021121	295.098	YFIPDAQJIZCZIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055290
FC(COCCNCc1sc2c(c1)CCC2)(F)F	PC-id_54961957,EMOLS-id_315204020	279.322	GVQXLOVQLXDAJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043339
O=C(Cn1cnnn1)NCCc1cn2c(n1)SCC2	EMOLS-id_99838207	279.322	DLLFTOHSMBQTSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043340
CC(CC=O)C(C)(C(=O)OCc1c2CCCn2cc1)O	PC-id_89707611	279.332	FCXMGBCAZLAZOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043341
CCCOC(=O)C1CCn2c1c(cc2)C(=O)OCCC	SCHEMBL10567211,PC-id_70394038	279.332	QNLDNFZGBZYNPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043342
C[C@@H]([C@H]1COC(O1)(C)C)NC(=O)c1occ2c1CCC2	MCULE-4100479935,EMOLS-id_320182288	279.332	DBEBKAKTCZMEDP-JOYOIKCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043343
CCOC(=O)C1Cc2c(C1)cn(c2)C(=O)OC(C)(C)C	PC-id_15814435,SCHEMBL7826717	279.332	PTFDCORJZBYLMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043344
CC(OC(=O)C1CCn2c1c(cc2)C(=O)OC(C)C)C	PC-id_67903908,SCHEMBL9675478	279.332	BVOSIGKZFNTBHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043345
O(C1c2[nH]c(c(c2CC1)C)C(=O)OC(C)(C)C)C(=O)C	PC-id_46910006	279.332	BBRRNXNGILUKPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043346
OCCC1(COCC1)CNC(=O)c1occ2c1CCC2	EMOLS-id_177223477,MCULE-9130710693	279.332	LBFSGTAWSKPLBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043347
O=CC[C@@H]([C@](C(=O)OCc1ccn2c1CCC2)(O)C)C	SCHEMBL15132835	279.332	FCXMGBCAZLAZOR-XHDPSFHLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043348
O=C(NC[C@]1(CCO)CCOC1)c1occ2c1CCC2	ZINC22_585081846	279.332	LBFSGTAWSKPLBQ-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043349
COc1ccc(c(n1)NCc1sc2c(n1)CCC2)F	EMOLS-id_318493017,MCULE-2235717864	279.333	QHWNVKSBVNEAJK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043350
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)C#C	SCHEMBL1005067,PC-id_59180075	279.333	BNHCMDFQKZFAAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043351
O=C(c1ccc2n1CCC2C(=O)C1CC1)c1ccccc1	PC-id_144625728	279.333	NOOKPSRQPXFJGM-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-043352
c12CN(Cc1nn(CC1CC1)c2O)C(=O)OC(C)(C)C	MCULE-5546220026,EMOLS-id_324341097	279.335	VDBABMHRLQPLIS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043353
c12CN(Cc1nn(CC1CCCC1)c2O)C(=O)OCC	EMOLS-id_324339049,MCULE-4980015647	279.335	MGQVZVHSAZOIDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043354
c12CN(Cc1nn(CCC)c2C=O)C(=O)OC(C)(C)C	EMOLS-id_324349799,MCULE-3436468890	279.335	FEUMBTYIXPHZKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043355
c1(C(=O)N2CCC(CC2)C(CO)O)c2CCCc2[nH]n1	EMOLS-id_317501848,PC-id_137335863,MCULE-1627413671	279.335	YUSACRNIQYXQCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043356
c1(C(=O)NCC2(CCOCC2)CO)c2CCCc2[nH]n1	CHEMBL4586012,PC-id_77081926,MCULE-8631533970,EMOLS-id_49872308,ZINC22_151503272	279.335	VTOSBFRYBFKPLV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043357
c1(C(=O)N[C@@H](CC(C)C)C(=O)OC)c2CCCc2[nH]n1	EMOLS-id_323258550,MCULE-6837176392	279.335	YTTIZCJLHLQZII-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-043358
c1(C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC)c2CCCc2[nH]n1	EMOLS-id_323257527,MCULE-1864741601	279.335	AQINMOHKKFDUEF-KWQFWETISA-N	00000010100000000001000010000000000000000000000000000000	25-01-043359
Cc1c2n(CCO2)nc1C(=O)N1CCCCC1CCO	PC-id_91959994	279.335	UWLPOGAOMZZFRZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043360
Cc1nn(c2c1N(CC2)C(=O)OC(C)(C)C)CC(=O)C	PC-id_90162703,SCHEMBL15724325	279.335	HRIBUPCHRVGVTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043361
CCC1(CCOCC1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_98819681	279.335	CEYRYQPOCRADTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043362
CCC1OC(CC)CN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102165994	279.335	VUWUGXFMLAYAKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043363
CC(C1OCCCN(C1)C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99318802	279.335	LUNOWNWBRLRAMX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043364
CCC(C1CCOCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99586652	279.335	KPLOIWBAFFOGGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043365
CC(CC1COCCN1C(=O)c1n[nH]c2c1CCC2)O	EMOLS-id_111208523	279.335	ROQAUCCBPKZDCF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043366
CC(CC(N(C(=O)c1cnc2n1CCC2)C)C(=O)O)C	EMOLS-id_318221960	279.335	OOVSHZBBYBVUCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043367
CC(C)(C)OC(=O)NC(C)(C=O)c1n[nH]c2CCCc12	MCULE-4235831676,EMOLS-id_313951847	279.335	KBRXERZNMLZHQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043368
CC(C)N(CC(=O)N(C)C)C(=O)c1coc2c1CNC2	ZINC22_1875294420	279.335	RHFWVWAGKCYNFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043369
C[C@@H]([C@H]1COC(O1)(C)C)NC(=O)c1cnc2n1CCC2	EMOLS-id_318934921	279.335	YSOWPZCBPZLHMW-GXSJLCMTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043370
C[C@@H]([C@H]1COC(O1)(C)C)NC(=O)c1cnn2c1CCC2	MCULE-6070080629,EMOLS-id_319890046	279.335	BIYXOIHTHNJLHH-JOYOIKCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043371
C[C@@H]([C@H]1COC(O1)(C)C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318852551	279.335	XTPSNJMUHKFHJK-JOYOIKCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043372
C[C@@H]([C@H]1COC(O1)(C)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319791873	279.335	FCQCZYSXVNUGLV-GZMMTYOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043373
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C	PC-id_118607896,SCHEMBL17373205	279.335	FTRWYGYOKDYXGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043374
CCN(C(=O)c1n(C)nc2c1CCC2)[C@@H]1COC[C@H]1O	EMOLS-id_319221720	279.335	SUEKCHGALXXKTR-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043375
CCOCC1CCCCN1C(=O)c1nn2c(c1)OCC2	MCULE-7305502352,EMOLS-id_101525610	279.335	FIKPXZISFGQMDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043376
CCOCC(=O)N1Cc2[nH]nc(COCC3CC3)c2C1	PC-id_97520299,ZINC22_96260221,EMOLS-id_44371988	279.335	XQIWNAMHMUISOQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043377
CCO[C@@H]1CCCC[C@H]1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_101505573	279.335	SRGHVFSUBWWHNX-ZYHUDNBSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043378
CN(Cc1oc2c(n1)CN(C2)C(=O)C1CCOCC1)C	PC-id_97406063	279.335	CBJFLLKWUATANF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043379
CN(C(C=O)c1n[nH]c2CCCc12)C(=O)OC(C)(C)C	MCULE-5505493384,EMOLS-id_313951593	279.335	GDIHEAUYSZAMRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043380
CN(C(=O)c1n[nH]c2c1CCC2)CC1(O)CCOCC1	EMOLS-id_111938680	279.335	HGZVZNDXKFBECX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043381
COC1CCC(CC1)CNC(=O)c1cc2n(n1)CCO2	EMOLS-id_99592316	279.335	OMCVMQDWYCTFMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043382
COC1(CCOCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319499881	279.335	NOLGHBOPZWELEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043383
COC1CN(C(C1)(C)CO)C(=O)c1cn2c(n1)CCC2	EMOLS-id_320031640,MCULE-8505513230	279.335	GPYVJYWGCGZPSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043384
COC1CN(C(C1)(C)CO)C(=O)c1cnc2n1CCC2	EMOLS-id_316663195	279.335	YOHYFAKKLBHFGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043385
COC1CN(C(C1)(C)CO)C(=O)c1cnn2c1CCC2	MCULE-4495106277,EMOLS-id_316471864	279.335	QSYKVXIZDKSLSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043386
COC1CN(C(C1)(C)CO)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318003212	279.335	ZMOOICSCOUCIIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043387
COCC1OC(C)CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111443864	279.335	KYYBLBKXIJTSLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043388
COCC1(O)CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110437728	279.335	GDTSHAYLIVGYAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043389
CO[C@@H]1CN(C(=O)c2cnn3c2CCC3)[C@](C)(CO)C1	ZINC22_634071151	279.335	QSYKVXIZDKSLSM-HZMBPMFUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043390
CO[C@@H]1CN(C(=O)c2cnn3c2CCC3)[C@@](C)(CO)C1	ZINC22_634071153	279.335	QSYKVXIZDKSLSM-IINYFYTJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043391
CO[C@H]1CN(C(=O)c2cnn3c2CCC3)[C@@](C)(CO)C1	ZINC22_634071155	279.335	QSYKVXIZDKSLSM-QMTHXVAHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043392
CO[C@H]1CN(C(=O)c2cnn3c2CCC3)[C@](C)(CO)C1	ZINC22_634071157	279.335	QSYKVXIZDKSLSM-YGRLFVJLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043393
OCC1CCC(CC1)N(C(=O)c1cc2n(n1)CCO2)C	EMOLS-id_100525413	279.335	AWZRGRURPYGFMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043394
O=Cc1n(nc2c1CN(C2)C(=O)OC(C)(C)C)C(C)C	PC-id_105422369	279.335	GZFWVKDIYWHJQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043395
O=Cc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(C)C	PC-id_105422370	279.335	IFIBLOAVLHMSNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043396
O=C(c1n[nH]c2c1CCC2)N1CCC([C@H](O)CO)CC1	ZINC22_1772711922	279.335	YUSACRNIQYXQCV-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043397
O=C(c1n[nH]c2c1CCC2)N1CCC([C@@H](O)CO)CC1	ZINC22_1772711927	279.335	YUSACRNIQYXQCV-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043398
O=C(c1n[nH]c2c1CCC2)NCCC1(O)CCOCC1	EMOLS-id_98648121	279.335	URUSHJDVMODWPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043399
O=CC(C1Cc2c(C1)nc([nH]2)C)NC(=O)OC(C)(C)C	PC-id_20628127,SCHEMBL8225171	279.335	WWDHLVWHYVMMFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043400
O=C(NCc1n[nH]c2c1CCC2)COC1CCOCC1	EMOLS-id_319895624,MCULE-8002079095	279.335	SFLPBXGPHCZKML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043401
O=C(NCCC1(O)CCOCC1)c1cc2n(n1)CCC2	EMOLS-id_316961793,MCULE-3391593889,ZINC22_622595084	279.335	KBBCVQVNYAGFQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043402
s1c2c(CCC2)c(c1NC(=O)N1CCCC1)C(=O)[O-]	PC-id_8056836	279.335	NXXVSTRQTKAJKD-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-043403
COC1=CC(=N/C/1=C/c1cc2c([nH]1)CCC2)c1ccc[nH]1	PC-id_136044499,SCHEMBL13922051	279.336	DCLOYGXBINHMQR-CXUHLZMHSA-N	00000011110000000000100010000000000000000000000000000000	25-01-043404
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC#N	MCULE-8175669252,EMOLS-id_328216178	279.336	YHZXLWSCRLWBIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043405
O(c1c(=Cc2[nH]c3CCCc3c2)[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_59896549	279.336	FHACNZLIVMNHOJ-RLTLIPJPSA-N	00000011110000000000100010000000000000000000000000000000	25-01-043406
O(c1c(=Cc2[nH]c3CCCc3c2)[nH]c(=C2N=CC=C2)c1)C	PC-id_71027517	279.336	FHACNZLIVMNHOJ-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-043407
CC1OC(C)CN(C1)C(=O)NCc1nnc2n1CCC2	MCULE-7297970401,PC-id_71899817,EMOLS-id_45743135	279.338	HKFIATKXEKRIBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043408
C[C@H]1CN(C(=O)NCc2nnc3n2CCC3)C[C@@H](C)O1	PC-id_97092828,ZINC22_89930268	279.338	HKFIATKXEKRIBA-AOOOYVTPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043409
C[C@H]1CN(C(=O)NCc2nnc3n2CCC3)C[C@H](C)O1	PC-id_97092829,ZINC22_89930269	279.338	HKFIATKXEKRIBA-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043410
C[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)C[C@@H](C)O1	ZINC22_89930270,PC-id_97092830	279.338	HKFIATKXEKRIBA-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043411
C[C@H](NC(=O)NCc1nnc2n1CCC2)[C@@H]1CCCO1	PC-id_97086231,ZINC22_89894350	279.338	WSQJWPWIZUKCDD-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043412
C[C@@H](NC(=O)NCc1nnc2n1CCC2)[C@@H]1CCCO1	PC-id_97086232,ZINC22_89894351	279.338	WSQJWPWIZUKCDD-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043413
C[C@H](NC(=O)NCc1nnc2n1CCC2)[C@H]1CCCO1	PC-id_97086233,ZINC22_89894352	279.338	WSQJWPWIZUKCDD-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043414
C[C@@H](NC(=O)NCc1nnc2n1CCC2)[C@H]1CCCO1	PC-id_97086234,ZINC22_89894353	279.338	WSQJWPWIZUKCDD-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043415
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)C(=N)N	PC-id_144979186	279.338	XDVABAHVJOVWKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043416
CC(=O)NCCCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_93874233,ZINC22_42536403	279.338	DWRKCZDKKWNFJO-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-043417
CC(=O)NCCCC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_42536405,PC-id_93874234	279.338	DWRKCZDKKWNFJO-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043418
CC(=O)NC(C(=O)NCc1nnc2n1CCC2)C(C)C	MCULE-2857920290,PC-id_53517727,EMOLS-id_35689930	279.338	KFAGCXJJGVDVMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043419
CC(=O)N[C@H](C(=O)NCc1nnc2n1CCC2)C(C)C	PC-id_94583723,ZINC22_54888673	279.338	KFAGCXJJGVDVMQ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043420
CC(=O)N[C@@H](C(=O)NCc1nnc2n1CCC2)C(C)C	ZINC22_54888674,PC-id_94583724	279.338	KFAGCXJJGVDVMQ-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043421
CN(Cc1nnc2n1CCC2)C(=O)NC[C@H]1CCCO1	PC-id_95129782,ZINC22_65411455	279.338	AQDLESPBRXEDLK-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043422
CN(Cc1nnc2n1CCC2)C(=O)NC[C@@H]1CCCO1	ZINC22_65411453,PC-id_95129781	279.338	AQDLESPBRXEDLK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-043423
CN(C(=O)NCC1CCCO1)Cc1nnc2n1CCC2	MCULE-5558112640,EMOLS-id_35716576,PC-id_53502198	279.338	AQDLESPBRXEDLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043424
COCc1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324899336	279.338	CTCIGSDLHKRFDU-YWEYNIOJSA-N	00000000100100000001000010000000000000000000000000000000	25-01-043425
n12nc(nc1sc(=Cc1ccsc1)c2=O)COC	MCULE-7497936333	279.338	CTCIGSDLHKRFDU-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-043426
O1C(CCC1)C(NC(=O)NCc1n2CCCc2nn1)C	MCULE-4237107353,EMOLS-id_45752811,PC-id_71894906	279.338	WSQJWPWIZUKCDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043427
O1C(CCC1CN)C(=O)NC(c1n2CCCc2nn1)C	PC-id_80002327	279.338	BCNCLBZLIKKGNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043428
O1C(CCC1CN)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_80010023	279.338	QMXDPVBCJLKTBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043429
O1CC(C(N)C1)(C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_66249827	279.338	DLURAHWUQKWPBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043430
O1CC(C(N)C1)(C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_66250641	279.338	YHEAWCQFVQTTGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043431
O1CC(C(NC)C1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_66266375	279.338	QMANAFHUVFLTHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043432
O1CC(C(NC)C1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_66266809	279.338	RYCXWPGSWMZNAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043433
O1C(CC(=O)N(Cc2n3CCCc3nn2)C)CNCC1	PC-id_66427005	279.338	GIOSKASNQYHXII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043434
O1C(CC(=O)NC(c2n3CCCc3nn2)C)CNCC1	PC-id_66434559	279.338	ISIPEPABVAOCFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043435
O1CC(NCC1)CC(=O)NC(c1n2CCCc2nn1)C	PC-id_80421810	279.338	JGXOLKSHPQTFHP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043436
O1CC(NCC1)CC(=O)N(Cc1n2CCCc2nn1)C	PC-id_80422979	279.338	WVPOLFZOEFSZTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043437
O(C1CC(NC1)C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_61214029	279.338	DOPFPUFCZDBZMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043438
O(C1CC(NC1)C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_61214363	279.338	LYMHXRCWFYWYKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043439
O=C1N2C=CS[C@@H]2/C/1=Cc1cn2c(n1)S(=O)CC2	PC-id_139682120	279.338	ULTHGGNLLDDXMJ-RIOYPMHUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-043440
OCC1(CC1)C(NC(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_316563433	279.338	YYHXZGLSNKODEQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043441
O=C(NC1(C)CCCOC1)NCc1nnc2n1CCC2	EMOLS-id_98674462	279.338	HVKVIJOIOBKUMS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043442
O=C(NC(c1n2CCCc2nn1)C)CCCNC(=O)C	EMOLS-id_35706352,MCULE-9394055545,PC-id_53514334	279.338	DWRKCZDKKWNFJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043443
O=C(N(Cc1nnc2n1CCC2)C)COC1(C)CNC1	PC-id_102611815	279.338	ISMDREQBDPMLSJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-043444
O=C(NC(c1nnc2n1CCC2)C)COC1(C)CNC1	PC-id_102611821	279.338	XVKSQUDXRCEHQT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-043445
O=C(NC(c1nnc2n1CCC2)C)NC1CCOC1C	EMOLS-id_303315862	279.338	XPZKPMKZRZSSNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043446
O=C(NC(c1nnc2n1CCC2)C)N[C@@H]1CCCOC1	EMOLS-id_99317500	279.338	OOGAQVGINPWKIW-QVDQXJPCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043447
O=C(NCc1nnc2n1CCC2)NC1CCC(O)CC1	ZINC22_69452555,MCULE-1908502852,PC-id_53525856,EMOLS-id_36271166	279.338	FIRMIXQFMOBYMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043448
c1cc(c2cn[nH]c2)ccc1NCc1cnc2n1CCC2	PC-id_146145348,ZINC22_1875284063	279.34	NDBDEQMTGWNMKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-043449
c1cc(c2cn[nH]c2)ccc1NCc1cnn2c1CCC2	ZINC22_1875284280,PC-id_146145350	279.34	VFICAMOHDDSZHC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-043450
c1ccc(C[C@H]2Cc3nnc(Cn4ccnc4)n3C2)cc1	ZINC22_1800411137	279.34	GSTBACXZPTWFFK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043451
c1ccc(C[C@@H]2Cc3nnc(Cn4ccnc4)n3C2)cc1	ZINC22_1800411138	279.34	GSTBACXZPTWFFK-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043452
C(C1Cc2nnc(Cn3ccnc3)n2C1)c1ccccc1	MCULE-5533333440,PC-id_139599189,EMOLS-id_323935373	279.34	GSTBACXZPTWFFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043453
Cc1cccc(c1)c1ccn(n1)Cc1nnc2n1CCC2	EMOLS-id_318823066	279.34	UHMALGCVHVLPOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-043454
Cc1cn(nc1c1ccccc1)Cc1nnc2n1CCC2	EMOLS-id_319856631,MCULE-6366739342	279.34	MFZFYQIAXFGJDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-043455
N#Cc1cccc(c1)C1(CC1)NC1CC(n2c1ncn2)C	MCULE-4764388254,EMOLS-id_318443499	279.34	DRWXIDVABMSOJC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-043456
CNC(c1cccc(c1F)F)c1sc2c(c1)CCC2	PC-id_115861779	279.348	GPGDVESWABUMDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043457
CNC(c1c(F)cccc1F)c1sc2c(c1)CCC2	PC-id_115859672	279.348	JLGVQWVUVVNSMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043458
CNC(c1sc2c(c1)CCC2)c1cc(F)cc(c1)F	PC-id_115851480	279.348	SKDOGRWTPMMTRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043459
Fc1ccc(c(c1C(c1sc2c(c1)CCC2)N)F)C	PC-id_105027047	279.348	GAANUKPNAPMYFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043460
Fc1ccc(c(c1)CC(c1sc2c(c1)CCC2)N)F	PC-id_115809570	279.348	KNYKHTDDKVLJNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043461
Fc1cc(cc(c1)F)CC(c1sc2c(c1)CCC2)N	PC-id_105412618	279.348	QMKBYLQWOWVJST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043462
Fc1cc(CNCc2sc3c(c2)CCC3)cc(c1)F	PC-id_115767817	279.348	WIQJMUIOQHMXOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043463
NC(c1ccc(c(c1F)F)C)c1sc2c(c1)CCC2	PC-id_107515400	279.348	AMCVTFQZQOPWAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043464
s1c2c(CCC2)cc1C(N)c1cc(c(F)cc1F)C	PC-id_79724769	279.348	XYZAODLHLCETNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043465
s1c2c(CCC2)cc1C(N)c1c(F)cc(c(F)c1)C	PC-id_80116056	279.348	UREIFFILXJTGKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043466
s1c2c(CCC2)cc1C(NC)c1cc(F)c(F)cc1	PC-id_43484515	279.348	MPEWBYLSSVVRHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043467
s1c2c(CCC2)cc1CNCc1cc(F)c(F)cc1	PC-id_61207390	279.348	UQNUZUJOZFFRHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043468
s1c2c(CCC2)cc1C(N)Cc1cc(F)c(F)cc1	PC-id_80380078	279.348	OCMCYYGLDLNQTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043469
s1c2c(CCC2)cc1CNCc1c(F)cccc1F	PC-id_61207207	279.348	STAIHMPLZQKHDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043470
s1c2c(CCC2)cc1C(N)Cc1c(F)cccc1F	PC-id_80379196	279.348	HRJZOLZRANWDDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043471
s1c2c(CCC2)cc1C(NC)c1c(F)ccc(F)c1	PC-id_43482852	279.348	DWFMIRXBIFSPTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043472
s1c2c(CCC2)cc1CNCc1c(F)ccc(F)c1	PC-id_61207218	279.348	HDCPVOFOAJTRST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043473
s1c2c(CCC2)cc1C(NC)c1c(F)cc(F)cc1	PC-id_43484069	279.348	CPSAYQWCAOIUKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043474
s1c2c(CCC2)cc1CNCc1c(F)cc(F)cc1	PC-id_61208738	279.348	ZVVFRCPQPKMCRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043475
s1c2c(CCC2)cc1C(N)Cc1c(F)cc(F)cc1	PC-id_80388898	279.348	ISPWPGZNTZLION-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043476
s1c2c(CCC2)cc1CNCc1c(F)c(F)ccc1	PC-id_61207241	279.348	HALXQTUDBWFXKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043477
s1c2c(CCC2)cc1C(N)Cc1c(F)c(F)ccc1	PC-id_80113998	279.348	XBLBZICIHSLFSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043478
c12CCCc1c(C(=O)OCC)c(NC(=O)C=CC)s2	MCULE-2258332126,PC-id_71958940	279.355	GAEPMQZCFXQAFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043479
c1(NC(=O)C2CC2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_345256,PC-id_949392,MCULE-7576625952,CK1178511,EMOLS-id_1476417,STOCK3S-18288,BAS-06104320,ZINC22_550483	279.355	JQEOBUVKUIAAAF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043480
c1(NC(=O)C2CCC2)sc2c(CCC2)c1C(=O)OC	PC-id_831796,TIMTEC363641,EMOLS-id_2564195,MCULE-4728072836,CoCoCo_1069117,ZINC22_355684	279.355	ORJMVMOXONCDRI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043481
c1(NC(=O)/C=C(C)/C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_1876847,ZINC22_4056705,MCULE-1222490105,CoCoCo_938217,PC-id_2792704	279.355	NMTKZGFMVMRJCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043482
C[C@]1(C(=O)O)CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_62912831,PC-id_95020201	279.355	QGWVFUGRHZVPLT-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043483
C[C@@]1(C(=O)O)CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_62912832,PC-id_95020202	279.355	QGWVFUGRHZVPLT-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043484
CC(C1CN(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_113551457	279.355	BLSIXNZUCOEKKN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043485
C=CCCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	MCULE-5853321251,PC-id_121892561,EMOLS-id_72497232	279.355	QAOQTJMYXRAFEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043486
C/C=C/CC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_120693436	279.355	PHYUWBINFODFJM-NSCUHMNNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043487
CC/C=C(C(=O)O)/NC(=O)c1c(C)sc2c1CCC2	PC-id_143679341	279.355	IIEBRHGTEXBNRQ-BJMVGYQFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043488
CC(C(=O)NC1CC1)OC(=O)c1sc2c(c1)CCC2	EMOLS-id_16723656,PC-id_17516223,MCULE-8585663762	279.355	KKVLXUFFGFVWQG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043489
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC1CC1	CoCoCo_2840879,PC-id_7291931,ZINC22_4581527	279.355	KKVLXUFFGFVWQG-QMMMGPOBSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043490
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC1CC1	ZINC22_4581528,CoCoCo_2840880,PC-id_7291932	279.355	KKVLXUFFGFVWQG-MRVPVSSYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043491
CC(N(C(=O)c1sc2c(c1)CCC2)C1CC1)C(=O)O	MCULE-7597902093,EMOLS-id_72234917,PC-id_119202349	279.355	CETSIYIBUHWAMN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043492
CCOC(=O)c1c(NC(=O)/C=CC)sc2c1CCC2	PC-id_97305700	279.355	GAEPMQZCFXQAFI-UTCJRWHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-043493
CCOC(=O)c1c(NC(=O)/C=C/C)sc2CCCc12	EMOLS-id_46206743,PC-id_46094673	279.355	GAEPMQZCFXQAFI-ZZXKWVIFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043494
CCOC(=O)c1c(NC(=O)C(=C)C)sc2CCCc12	MCULE-1496296154,EMOLS-id_327886472	279.355	MPJKQVMTEYYNJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043495
O=C(C1CC1(C)C)Nc1sc2c(c1C(=O)O)CCC2	PC-id_113903455	279.355	ZZPMIINPAXWDCH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043496
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)C(=O)O	PC-id_20113112,EMOLS-id_50916637,MCULE-1667073776	279.355	YBZSGDYFHAVKOX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043497
O=C(c1sc2c(c1)CCC2)N1C[C@H]([C@@H](C1)C)C(=O)O	PC-id_105578151	279.355	FKYVEWNLEJLMDU-PSASIEDQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043498
O=C(c1sc2c(c1)CCC2)NC1(CCCC1)C(=O)O	EMOLS-id_51061580,PC-id_43329518,MCULE-8092403833	279.355	YXCBXQHTWLUMNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043499
O=C(c1sc2c(c1)CCC2)NC(C(=O)O)CC1CC1	EMOLS-id_71274625,PC-id_120243031,MCULE-9559747277	279.355	GAIYEVLPGDRCLJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043500
O=C(c1sc2c(c1)CCC2)N[C@H]1CC[C@H](C1)C(=O)O	PC-id_114173219	279.355	HYGFNVNICSRDRQ-ZJUUUORDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043501
O=C(c1sc2c(c1)CCC2)N[C@@H]1CC[C@@H](C1)C(=O)O	PC-id_120675452	279.355	HYGFNVNICSRDRQ-VHSXEESVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043502
O=C(N1CCC(C1)(C)C(=O)O)c1sc2c(c1)CCC2	EMOLS-id_51682633,MCULE-2351268762,PC-id_55167091	279.355	QGWVFUGRHZVPLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043503
O=C(N1CCC(C1C)C(=O)O)c1sc2c(c1)CCC2	MCULE-1268587121,PC-id_79363610,EMOLS-id_71238246	279.355	SVDYVFFINNNIAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043504
O=C(N1CCC(C1C(=O)O)C)c1sc2c(c1)CCC2	PC-id_113734859	279.355	OQUPGJIWBMBBMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043505
O=C(N1CCCCC1C(=O)O)c1sc2c(c1)CCC2	PC-id_20117632,EMOLS-id_50922593,MCULE-5749426933	279.355	QRDFSYOTDIYFKC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043506
O=C(N1CCCC[C@@H]1C(=O)O)c1sc2c(c1)CCC2	PC-id_28126714,MCULE-5084715990,EMOLS-id_51909444	279.355	QRDFSYOTDIYFKC-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043507
O=C(Nc1sc2c(c1C(=O)O)CCC2)CC1CCC1	PC-id_103161758	279.355	VULXZXDYNNVJIE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043508
O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cc2c(s1)CCC2	ZINC22_85322098,MCULE-1946615247,EMOLS-id_72502130,PC-id_121894934,MCULE-4310867176	279.355	SVTGOICEFGMYPP-ZJUUUORDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043509
O=C(O)c1c(NC(=O)C2CCCC2)sc2c1CCC2	EMOLS-id_29966870,MCULE-5331074634,CoCoCo_4082527,ZINC22_6549782,PC-id_4963972	279.355	HJZOHFXTSFZTPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043510
OC(=O)CC1CC(C1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319380226	279.355	ZYZJTEMSCGNFQD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043511
OC(=O)CC1(CCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_79845188,EMOLS-id_71239827,MCULE-1896788250	279.355	NWOLBGYAQHLFFN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043512
OC(=O)CC1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_71219656,MCULE-7053178293,PC-id_61372614	279.355	FIHTVUVTPSBQKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043513
O=C(O)C[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_42144368	279.355	FIHTVUVTPSBQKD-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043514
O=C(O)C[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_42144369	279.355	FIHTVUVTPSBQKD-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-043515
s1c2CCCc2cc1CNC(=O)/C(=C(/C)C(=O)O)/C	PC-id_63270554	279.355	NROIDWGGDQVQHF-HJWRWDBZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043516
s1c2CCCc2cc1CNC(=O)C(=C(C)C(=O)O)C	PC-id_76993064	279.355	NROIDWGGDQVQHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043517
s1c2c(CCC2)cc1C(=O)N1CC(CC1)CC(=O)O	PC-id_65944232	279.355	VQJVEKARMYGFDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043518
s1c2c(CCC2)cc1C(=O)N1C(CCC1)C(=O)OC	PC-id_43410258	279.355	TVVUTPUWYOZDHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043519
s1c2c(CCC2)cc1C(=O)N1CC(CC1)C(=O)OC	PC-id_78968056	279.355	NLTIZXXBSJRGQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043520
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)C(=O)O	PC-id_18071021	279.355	WJTRTVNQOYFJSN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043521
s1c2c(CCC2)cc1C(=O)N1C[C@@H](CCC1)C(=O)O	PC-id_25733481	279.355	WJTRTVNQOYFJSN-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043522
s1c2c(CCC2)cc1C(=O)N1C[C@H](CCC1)C(=O)O	PC-id_25733483	279.355	WJTRTVNQOYFJSN-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-043523
s1c2c(CCC2)cc1C(=O)N1[C@@H](CCCC1)C(=O)O	PC-id_28126712	279.355	QRDFSYOTDIYFKC-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-043524
s1c2c(CCC2)c(c1C(=O)NC1CCCC1)C(=O)O	PC-id_2109206	279.355	ZVTRDHMRTDSJIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043525
s1c2c(CCC2)cc1C(=O)NC1C(CCC1)C(=O)O	PC-id_64815179	279.355	SVTGOICEFGMYPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043526
s1c2c(CCC2)cc1C(=O)NC1CC(CC1)C(=O)O	PC-id_66031904	279.355	HYGFNVNICSRDRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043527
s1c2c(CCC2)cc1C(=O)N(CC1CC1)CC(=O)O	PC-id_43655143	279.355	RYSGVYWOTCTAOX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043528
s1c2c(CCC2)cc1C(=O)NC(C1CC1)CC(=O)O	PC-id_81362895	279.355	RUZDZJWWFCIDDO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043529
s1c2c(CCC2)cc1C(=O)NCC1(CCC1)C(=O)O	PC-id_81362839	279.355	NELALPCMPKYZCV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043530
s1c2C(C=C(c2c(c1C(=O)N)C(=O)OCC)C)(C)C	PC-id_69353711	279.355	XTNSHLWGLJDUIG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-043531
s1c2CCCc2cc1C(=O)OC(C(=O)NCC=C)C	PC-id_45770051	279.355	IHMPGDFHROLCJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043532
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCC=C)C	PC-id_8359128	279.355	IHMPGDFHROLCJM-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-043533
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCC=C)C	PC-id_8359130	279.355	IHMPGDFHROLCJM-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043534
s1c2c(CCC2)c(c1NC(=O)C(C1CC1)C)C(=O)O	PC-id_83146469	279.355	WOSPOTCGZOXNDG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043535
s1c(C(=O)N2C(CCC2)(C)C(=O)O)cc2c1CCC2	PC-id_64371836	279.355	XEMRHHCIAQZOGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043536
s1c(C(=O)N2CC(C(C2)C(=O)O)C)cc2CCCc12	PC-id_63719613	279.355	FKYVEWNLEJLMDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043537
s1c(C(=O)N(C2CC2)CCC(=O)O)cc2c1CCC2	PC-id_54926638	279.355	WVOBEEFKEMXZBL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043538
s1c(C(=O)NC(C2CC2)(C)C(=O)O)cc2CCCc12	PC-id_43341295	279.355	LQDQDDRDBGSUIJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043539
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCCC1	CoCoCo_1100106,EMOLS-id_15304022,ZINC22_16648774,PC-id_27260987,MCULE-4708211170	279.358	GAKLENYBZCKSPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043540
CCOC(=O)C1CCc2c1nc(s2)N(CCC#N)C	PC-id_104287769	279.358	ZVGOJPQHCZHCFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043541
CCOC(=O)c1scc2c1CN(C2)CC1=NCCN1	SCHEMBL9408090,PC-id_15228207	279.358	MDRRHLMLSUGOCW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-043542
n1c2CCCc2sc1CCNC(=O)C1CCC(=O)N1	EMOLS-id_181143512,MCULE-4071541722,PC-id_110462163	279.358	JILQUJJIZLFDBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043543
NCC(CC(=O)Nc1sc2c(c1C#N)CCC2)OC	PC-id_103155583	279.358	JOBYNLBDCDQWGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043544
N#CC(CN(c1nc2c(s1)CCC2C(=O)O)CC)C	PC-id_104288409	279.358	PKSQZFFDTLOODH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043545
N#CCCN(c1nc2c(s1)CCC2C(=O)O)C(C)C	PC-id_113395753	279.358	PFVDAMXCRZBWHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043546
O=C1NCC(NC1)C(=O)NCc1sc2c(c1)CCC2	PC-id_107435657	279.358	NCLVOJGNHDABFV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043547
OCCOCc1n[nH]c2c1CN(C2)Cc1cccs1	PC-id_97410202	279.358	VPFYRBIBBIURDD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043548
s1c2c(CCC2)cc1C(=O)N1C(CCC1)C(=NO)N	PC-id_64413759	279.358	FQMSEYCXJBPWNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043549
s1c2c(CCC2)cc1C(=O)N1C(CNCC1)C(=O)N	PC-id_65630400	279.358	SJLMHPQXGUXOKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043550
s1c2c(CCC2)cc1C(=O)NC(C1CC1)/C(=N/O)/N	PC-id_64427343	279.358	ZEFKDFMOTYFIDI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043551
s1c2c(CCC2)c(c1NC(=O)C(N)CCOC)C#N	PC-id_62476774	279.358	KGIBHYYLKVDMEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043552
s1c2CCCc2c(c1NC(=O)CNCCOC)C#N	PC-id_78908460	279.358	WTTKCUPNYMXQEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043553
s1c2CCCc2nc1NC1CC(=O)N(C1=O)CCC	PC-id_61508820	279.358	WQXDVXBQUSRWCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043554
s1c2CCCc2nc1NC1CC(=O)N(C1=O)C(C)C	PC-id_61508821	279.358	FQGOKWGGNZDJHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043555
CC(C(=C)C1CCn2c1ccc2C(=O)c1ccccc1)C	SCHEMBL17208145,PC-id_118474302	279.376	NMZRRMIYOXQUEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043556
CCSc1nn2c(n1)CCC2/C(=C/C=C)/C(=CC)/F	PC-id_142577369	279.376	HAQGOKSRPYNPJR-OLZFMVIBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043557
c1(C(=O)OCC)c2C(C)CCc2n(CCCN(C)C)n1	EMOLS-id_331000055,MCULE-7596180178	279.378	CRGYCSXIAAOWRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043558
c1(C(=O)OCC)c2C(C)CCc2nn1CCCN(C)C	EMOLS-id_330982072,MCULE-7708356569	279.378	KAVLHUQPQDLUGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043559
Cc1ccc(cc1)S(=O)(=O)n1cc2c(c1)CSC2	PC-id_23082147,SCHEMBL6207072	279.378	URGFDOJOQWLMIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043560
Cc1ccc(cc1)S(=O)(=O)N1Cc2cscc2C1	SCHEMBL3621743,ZINC22_145216766,EMOLS-id_85193331,MCULE-6009425208,PC-id_18947051	279.378	PKMFAEROGWOLBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043561
CCC1CCc2c1nc([nH]2)CCNC(=O)OC(C)(C)C	PC-id_102970645	279.378	ITHRQFXIXIGLEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043562
CCC1CCc2c1nc([nH]2)[C@H](NC(=O)OC(C)(C)C)C	PC-id_102970641	279.378	REPXNPAQTFBJAM-YHMJZVADSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043563
CCC1CCc2c1nc([nH]2)[C@@H](NC(=O)OC(C)(C)C)C	PC-id_102970659	279.378	REPXNPAQTFBJAM-RGURZIINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043564
CCC1CCc2c1nc([nH]2)C(NC(=O)OC(C)(C)C)C	PC-id_102970608	279.378	REPXNPAQTFBJAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043565
CC(CCC(CNC(=O)c1n[nH]c2c1CCC2)(O)C)C	PC-id_111485498	279.378	ZJILCHMDFAJPRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043566
CCCC(CNC(=O)c1n[nH]c2c1CCC2)(CCC)O	PC-id_111485107	279.378	NAFCUMYWODPJHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043567
CC(C(C(CNC(=O)c1n[nH]c2c1CCC2)(C)C)O)C	PC-id_109381016	279.378	BFDNQYFZEQNDQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043568
CC[C@@H](c1nc2c([nH]1)CCC2C)NC(=O)OC(C)(C)C	PC-id_102970180	279.378	SJYYAQBJDLDKSX-AXDSSHIGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043569
Cn1c(c2CCCc2n1)CN1CCC(CC1)(COC)O	PC-id_136568445	279.378	NLRXMGZAGNZXTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043570
OCCC(CC(C)C)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111697542	279.378	XURXCWHACVNYRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043571
OCCC(CNC(=O)c1n[nH]c2c1CCC2)(CC)CC	PC-id_112301038	279.378	AHBCTQLOQHYXID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043572
OCCCN(C(=O)c1n[nH]c2c1CCC2)CC(C)(C)C	PC-id_110000451	279.378	XSEQFAJUDFJVNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043573
O=C(NC(c1nc2c([nH]1)CCC2C)(C)C)OC(C)(C)C	PC-id_102970233	279.378	JSQIPBYLGCXBGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043574
O(C(=O)N1Cc2c([nH]c(c2CN)C(C)C)C1)C(C)(C)C	PC-id_84811612	279.378	SBEFYYUDEFIBOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043575
S(=O)(=O)(N1Cc2c(scc2)C1)c1ccc(cc1)C	PC-id_85814530	279.378	FFFJAYUUGMQTPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043576
c12CN(Cc1nn(CC(C)C)c2C#C)Cc1ccccc1	MCULE-8645705111,EMOLS-id_324358754	279.379	SZELFXPPGLCVSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043577
CC1CCc2c1c(nn2Cc1cc(C)c(C)cc1C)C#N	EMOLS-id_331021305,MCULE-1728202199	279.379	LXKCKTQOMMMCBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043578
CC1CCc2c1c(nn2Cc1c(C)cc(C)cc1C)C#N	EMOLS-id_331021561,MCULE-8146959000	279.379	YAGAMUWHMMDTTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043579
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(C#N)c12	MCULE-1359718543,EMOLS-id_331002036	279.379	VIIIIFXNTDASBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043580
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(C#N)c12	MCULE-9225842569,EMOLS-id_331002292	279.379	SEUMCUKTIQCIAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043581
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1C#N	MCULE-2910081600,EMOLS-id_331005879	279.379	PQIDTJSPASMXDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043582
CCc1ccccc1C(C)n1nc2CCC(C)c2c1C#N	MCULE-6410129735,EMOLS-id_331003321	279.379	AVWDBAYXMBGTBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043583
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C#N	MCULE-7504147380,EMOLS-id_331003061	279.379	RVNNODJXSBQJBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043584
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002808,MCULE-4736407319	279.379	CMORVPXQKKWNCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043585
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003577,MCULE-6923140326	279.379	UYVAAVBKWNMLIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043586
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1C#N	MCULE-1462264856,EMOLS-id_331005623	279.379	XXFJJAVDYFCFLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043587
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1C#N	MCULE-3102074771,EMOLS-id_331003317	279.379	SVMCZHYNHGQPBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043588
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002552,MCULE-4947515600	279.379	YFZSQLADRDPQMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043589
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1C#N	MCULE-6290913845,EMOLS-id_331002805	279.379	CNRDTQJCKDVFQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043590
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1C#N	EMOLS-id_331002548,MCULE-7659266890	279.379	MWENPBMBKPWJOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043591
CC(C)c1ccccc1Cn1nc(C#N)c2C(C)CCc12	MCULE-3411036592,EMOLS-id_331021817	279.379	QSVLVTCRLUUPSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043592
CC(C)c1cccc(Cn2nc3CCC(C)c3c2C#N)c1	EMOLS-id_331005364,MCULE-2420364478	279.379	CNDFCHBACDPMSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043593
CC(C)c1cccc(Cn2nc(C#N)c3C(C)CCc23)c1	MCULE-1928791985,EMOLS-id_331020538	279.379	QGDXOCQPIVBUJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043594
CCCc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1	EMOLS-id_331001531,MCULE-4052704805	279.379	FBMXERGVPILPOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043595
CC(C)c1ccc(Cn2nc3CCC(C)c3c2C#N)cc1	EMOLS-id_331001787,MCULE-7551844663	279.379	DHCCBAYAOCJTCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043596
CCCc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1	EMOLS-id_331020785,MCULE-2246083913	279.379	KJODWASRXAKAPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043597
CC(C)c1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1	MCULE-5605615935,EMOLS-id_331021041	279.379	JDWGCAXNRIAJMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043598
n1(nc(c2CC(Cc12)CCCC)C#N)Cc1ccccc1	PC-id_58713654	279.379	WMONKIVNXZZHDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043599
C1(CSCN1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328038140,PC-id_61259130,MCULE-6934082242	279.381	HZHULPVQPYRJFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043600
c1(NC(=O)c2sccc2C)n(C)nc2CSCc12	EMOLS-id_334563518,MCULE-9161048680	279.381	LGQQEPANFVTTLJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043601
c1(NC(=O)Cc2cccs2)n(C)nc2CSCc12	MCULE-9259148114,EMOLS-id_334564275	279.381	GRPCLEBUECHODV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043602
c1(NC(=O)Cc2csc(C)n2)sc2c(CCC2)n1	MCULE-1063800107,EMOLS-id_320494414	279.381	FYLNCSRRYWDKST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043603
c1(NC(=O)NCc2cccs2)sc2c(CCC2)n1	PC-id_45503682,ZINC22_38671381,EMOLS-id_32182128,MCULE-8918931983	279.381	YKGXDUMALOAEFQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043604
c1(sc(nc1C)C)C(=O)Nc1sc2c(CCC2)n1	STOCK7S-29423,PC-id_47119153,EMOLS-id_46566875,EMOLS-id_43040712,ZINC22_48675053,MCULE-7365884055	279.381	DYZSGXXTLPOSSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043605
CC1CC(c2n1ncn2)NCCN1CCOCC1(C)C	EMOLS-id_279082732	279.381	FIODAYVLXNNYLW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043606
CC1CC(c2n1ncn2)NCCN1CCOC(C1)(C)C	EMOLS-id_279082833	279.381	BLVOYZKMNKDISQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043607
CC1CC(c2n1ncn2)NCC(N1CCOCC1)(C)C	EMOLS-id_316568297	279.381	CWBXCFNWWLGAEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043608
CCc1nnc(NC(=O)c2cc3c(s2)CCC3)s1	ZINC22_7346792,PC-id_8439963,MCULE-3278788380,CoCoCo_3194796,EMOLS-id_24045356	279.381	HNQOCMWXUWJDKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043609
CCC(C)(C)CNC(=O)N(C)Cc1nnc2n1CCC2	ZINC22_1647158650,MCULE-3784709239,EMOLS-id_320378433	279.381	PJUZCOIADPTLGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043610
CC(C)CNC(=O)N[C@H](c1nnc2n1CCC2)C(C)C	PC-id_96472573,ZINC22_78564480	279.381	FDOXKUCDTNAJER-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043611
CC(C)CNC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C	ZINC22_78564476,PC-id_96472572	279.381	FDOXKUCDTNAJER-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043612
CCC(C(=O)NC(c1nnc2n1CCC2)C)(CN)CC	PC-id_115431687	279.381	UUKYTEZRIBQMQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043613
CCC(C(=O)N(Cc1nnc2n1CCC2)C)(CN)CC	PC-id_115432163	279.381	SHFAVWHBFMAYMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043614
CC(C(N1CCOCC1)C)NC1CC(n2c1ncn2)C	EMOLS-id_279082866	279.381	BWYQCDDKYFBILZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043615
CC(CN1CCOCC1)CNC1CC(n2c1ncn2)C	MCULE-2238080954,EMOLS-id_258182424	279.381	LLXUTFSTWLEORZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043616
CC(CNC(=O)NC(c1nnc2n1CCC2)C(C)C)C	MCULE-6619900263,PC-id_60273713,EMOLS-id_50317637	279.381	FDOXKUCDTNAJER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043617
CC(NC(c1nnc2n1CCC2)C)CC1COCCN1	PC-id_116008737	279.381	JMLDPSAVTPXRHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043618
CN(C1(CCOCC1)CNC1CC(n2c1ncn2)C)C	EMOLS-id_279083064	279.381	NFFPOKUTGCECBZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043619
CN(CC1(O)CCCN(C1)CC1CCc2n1ncn2)C	MCULE-9036925945,EMOLS-id_316091800	279.381	IYIAZCMKBUEVMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043620
CN(C)C[C@]1(O)CCCN(C[C@@H]2CCc3ncnn23)C1	ZINC22_639761977	279.381	IYIAZCMKBUEVMT-GXTWGEPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043621
CN(C)C[C@@]1(O)CCCN(C[C@@H]2CCc3ncnn23)C1	ZINC22_639761981	279.381	IYIAZCMKBUEVMT-JSGCOSHPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043622
CN(C)C[C@@]1(O)CCCN(C[C@H]2CCc3ncnn23)C1	ZINC22_639761987	279.381	IYIAZCMKBUEVMT-OCCSQVGLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043623
CN(C)C[C@]1(O)CCCN(C[C@H]2CCc3ncnn23)C1	ZINC22_639761989	279.381	IYIAZCMKBUEVMT-TZMCWYRMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043624
n1c2CCCc2sc1CCNC(=O)c1ccns1	PC-id_145930550,EMOLS-id_323970872,ZINC22_1646612295,MCULE-3323952755	279.381	OEIZCEOTPQWBDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043625
n1c2CCCc2sc1CCNC(=O)c1cscn1	PC-id_110462215,MCULE-2852483186,EMOLS-id_181143764	279.381	OFECUDMOINZMSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043626
n1c2CCCc2sc1CCNC(=O)c1sccn1	MCULE-5827301309,PC-id_110468021,EMOLS-id_181162803	279.381	DBAGEFXSXVHTOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043627
Nc1scc(n1)C(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314637783,PC-id_62788090	279.381	BFNHGNMPXSPEQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043628
NC(c1cccs1)C(=O)Nc1sc2c(n1)CCC2	PC-id_113279190	279.381	QQTJBUCVGLBYDA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043629
O=C(c1nscc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183564	279.381	HGNBXMQLGAKFDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043630
O=C(c1sc(c(c1)N)C)Nc1sc2c(n1)CCC2	PC-id_54962927,EMOLS-id_314141723	279.381	BHGPBKOOSHTFLH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-043631
OC(CN1CCCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_316572644	279.381	SPDIKFAZTUXBFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043632
O=C(NC(c1n2CCCc2nn1)C)CCCCCCN	PC-id_43698132	279.381	NBPWCJRAOFROBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043633
O=C(N(Cc1n2CCCc2nn1)C)CCCCCCN	PC-id_60964044	279.381	CVXYMWRCTFNLJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043634
O=C(N(Cc1n2CCCc2nn1)C)C(CC(C)C)CN	PC-id_80112931	279.381	GHMOLVFABJDRER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043635
O=C(NC(c1n2CCCc2nn1)C)C(CC(C)C)CN	PC-id_80116830	279.381	KEUNVIMMWFCCCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043636
O=C(NC(c1n2CCCc2nn1)C)CCC(CCN)C	PC-id_64350489	279.381	ADIGBZDATNCDBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043637
O=C(N(Cc1n2CCCc2nn1)C)CCC(CCN)C	PC-id_64351122	279.381	WXSRENGMWGHJTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043638
O=C(NC(c1n2CCCc2nn1)C)CCCNC(C)C	PC-id_60850621	279.381	JPGHIZKCUFNPMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043639
O=C(N(Cc1n2CCCc2nn1)C)CCCNC(C)C	PC-id_60963113	279.381	RPPJGMUUJITWLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043640
O=C(NC(c1n2CCCc2nn1)C(C)C)N(CC)CC	PC-id_60276708	279.381	XPLJFVULPHDMCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043641
O=C(NC(c1n2CCCc2nn1)C)CCNC(C)(C)C	PC-id_60850797	279.381	FGZZVFQDOYRUFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043642
O=C(N(Cc1n2CCCc2nn1)C)CCNC(C)(C)C	PC-id_60963112	279.381	QERIDCMZGBEGAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043643
O=C(NC(c1n2CCCc2nn1)C)C(C(N)(C)C)(C)C	PC-id_65264398	279.381	JBBNCUDBLZQGOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043644
O=C(N(Cc1n2CCCc2nn1)C)C(C(N)(C)C)(C)C	PC-id_65269573	279.381	NWZLPGSARLVLNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043645
O=C(N(Cc1n2CCCc2nn1)C)CC(N)C(C)(C)C	PC-id_81985340	279.381	RHALXCJSZCFHDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043646
O=C(NC(c1n2CCCc2nn1)C)CC(N)C(C)(C)C	PC-id_81986938	279.381	FXOMOBURNISGNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043647
s1c2CCCc2c(c1NC(=O)NCC[NH+](C)C)C#N	PC-id_8070188	279.381	OEQHEQMRQZDQNB-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-043648
s1c2CCCc2c(c1NC(=S)NC(=O)CC)C#N	PC-id_4955476	279.381	DVCHMTJKDJBCGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043649
C1OCC(C1)N1CC[C@H](C1)OC1CCc2c1scc2	PC-id_71193290,SCHEMBL14529676	279.398	PAJQLWLCAMECKC-ROKHWSDSSA-N	00000010100000000000100010000000000000000000000000000000	25-01-043650
CC1CCCCN1C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956537	279.398	ZKTRUEVKIJQKNM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043651
CC1CCCN(C1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956558	279.398	KUAMTGDERPSLIS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043652
CC1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956559	279.398	XULZGQTWKBNAPN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043653
CC1CN(CC(O1)(C)C)C(=O)c1sc2c(c1)CCC2	PC-id_48689050,EMOLS-id_45642589,MCULE-1329811530	279.398	DBKFMNSNCULGLX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043654
CC(C1CCCCN1C(=O)c1sc2c(c1)CCC2)O	PC-id_109995507	279.398	HMGFCOAEEJIMEO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043655
CC(C1CCN(CC1)C(=O)c1sc2c(c1)CCC2)O	PC-id_103679260	279.398	WBHUKGUNDSZQIP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043656
CC(CC1(O)CCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319062091	279.398	CWMCHRYVQVFEHA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043657
CCCCC(CCCC)N1C(=O)c2cscc2C1=O	SCHEMBL14881133,PC-id_89515168	279.398	SNMDLTISAFSHOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043658
CCCCCCCCN1C(=O)c2c(C1=O)sc(c2)C	SCHEMBL20434466,PC-id_135271176	279.398	CLOFINKCHWUZEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043659
CCCCC(CC)CN1C(=O)c2c(C1=O)sc(c2)C	SCHEMBL20434468,PC-id_135271178	279.398	RDCSIBVNIKPFJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043660
CCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16604959,PC-id_117982934	279.398	JGSRCQLEZIVIIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043661
C[C@H]1CN(C(=O)c2cc3c(s2)CCC3)CC(C)(C)O1	ZINC22_65609168,PC-id_95158444	279.398	DBKFMNSNCULGLX-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-043662
C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)CC(C)(C)O1	ZINC22_89930216,PC-id_97092777	279.398	DBKFMNSNCULGLX-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043663
CCN(CC1CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956577	279.398	VZCIOYIBUKQGHE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043664
CN1C(=O)c2c(C1=O)c(sc2C(C)(C)C)C(C)(C)C	SCHEMBL17225433,PC-id_118485463	279.398	GQDGSHPXOHBJJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043665
C(NC(=O)c1c(C=O)c2c(CC(C)(C)C2)s1)(C)(C)C	PC-id_86683780,MCULE-3502674425,SCHEMBL14915847	279.398	HECCQKJIPVEBRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043666
COc1c(sc2c1CCC2)C(=O)N1CCCCCC1	PC-id_91956562	279.398	ACHTWENDSVHGDQ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-043667
COC1=NC(=O)c2c1c(sc2C(C)(C)C)C(C)(C)C	PC-id_145552823	279.398	OTMPXMMXHKSDBG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-043668
COC(=O)C(=CCNCc1sc2c(c1)CCC2)CC	PC-id_103242938	279.398	QUGJVCKOANLDER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043669
OC1CCC(CC1)(C)NC(=O)c1sc2c(c1)CCC2	MCULE-8306239601,EMOLS-id_318432842	279.398	KANBEGYXPHONQI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043670
OC1CCCC(C1)CNC(=O)c1sc2c(c1)CCC2	PC-id_103691044	279.398	HTHMFJICXUAUEE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043671
OC1CCC(CC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_106122167	279.398	SREWZAGVZXRILW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043672
OC1CCCCC1N(C(=O)c1sc2c(c1)CCC2)C	PC-id_102634863	279.398	BZULQLAQUBEJCR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043673
OC1CCCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_104282235	279.398	XMHMHJUMSQXEHH-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-043674
OC(C1CCCC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_112297199	279.398	OHSQIZHEIHKHFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043675
OCC1CCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_103798633	279.398	MTUSZSWTTGHHFS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043676
OCC1(C)CCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_112287034	279.398	OWYIYEYDWLVVDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043677
OCC1CCCCCN1C(=O)c1sc2c(c1)CCC2	PC-id_116636099	279.398	WISWABYIINGRSI-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-043678
OCC1CCC(N(C1)C(=O)c1sc2c(c1)CCC2)C	PC-id_109880028	279.398	UIVGKFBSQQAEJM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043679
O=C(c1occ2c1CCC2)N1CCSC(CC1)(C)C	EMOLS-id_102569950	279.398	CBGSLOUWYSYVOQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043680
O=C(c1sc2c(c1)CCC2)N1CCCC(CC1)(C)O	EMOLS-id_102264677,PC-id_107406406	279.398	RCXBHRAGRUMQMQ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-043681
O=C(c1sc2c(c1)CCC2)NC(C(O)(C)C)C1CC1	EMOLS-id_319720180	279.398	UFQNTIVVZWEFPI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043682
OCCCN(C(=O)c1sc2c(c1)CCC2)C1CCC1	PC-id_102866922	279.398	GAGWLDARAWVJBC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043683
OC[C@@H]1CC[C@@H](CC1)NC(=O)c1sc2c(c1)CCC2	MCULE-9126458769,EMOLS-id_44591656	279.398	WLJFFZSWEMGMMU-KLPPZKSPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043684
O=C(N1CCCC1C(O)(C)C)c1sc2c(c1)CCC2	PC-id_112384552	279.398	VHXGKYUPPIIAMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043685
O=C(N1CCC(C(C1)(C)C)O)c1sc2c(c1)CCC2	EMOLS-id_102405150	279.398	ATFJMMQLBKRHBA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043686
O=C(N(CC1(O)CCCC1)C)c1sc2c(c1)CCC2	PC-id_112420560	279.398	ISKJCOPJTHPZOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043687
O=C(N[C@H]1CC[C@H](CO)CC1)c1cc2c(s1)CCC2	ZINC22_152342500	279.398	WLJFFZSWEMGMMU-UMSPYCQHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043688
OC(=O)C1CCCC(C1)NCc1sc2c(c1)CCC2	PC-id_116494750	279.398	ZAUHSPYPISWAIU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043689
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)CCO	PC-id_60743420	279.398	NZFOEGFZGDAZFL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043690
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)CCO	PC-id_62371642	279.398	PKWMLTJDBFNHDK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043691
s1c2c(CCC2)cc1C(=O)N(C1CCCC1)CCO	PC-id_54993973	279.398	URDPIOBUMXUCBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043692
s1c2c(CCC2)cc1C(=O)NC1(CCCCC1)CO	PC-id_55082027	279.398	BXGNRIZDCKTGBL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043693
s1c2c(CCC2)cc1C(=O)NC1CCC(CC1)CO	PC-id_71847150	279.398	WLJFFZSWEMGMMU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043694
s1c2c(CCC2)cc1C(=O)NCC1C(CCC1)CO	PC-id_65926031	279.398	IKFZZPGWDQLYOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043695
s1c2c(CCC2)cc1C(=O)NCC1C(O)CCCC1	PC-id_64929887	279.398	KZBRRZXTOFNGQW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043696
s1c2c(CCC2)cc1C(=O)NCC1(O)CCCCC1	PC-id_64869170	279.398	MXYCJBKHDIDSMX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043697
s1c2C(OC3CN(C4CCOC4)CC3)CCc2cc1	PC-id_78025981	279.398	PAJQLWLCAMECKC-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-043698
s1c(C(=O)N2C(CCC2)CCCO)cc2c1CCC2	PC-id_55075972	279.398	AODXSTBUCUEOGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043699
C1CCC(C(C1)C(=O)N)NCc1nc2c(s1)CCC2	EMOLS-id_49936268,MCULE-5483070540,PC-id_86790335	279.401	UCNUUPGJDPIZHZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043700
c1(C(=O)NCC)c2CSCc2nn1CC1CCCC1	MCULE-3613444035,EMOLS-id_324398687	279.401	NQPCBEOPGDGWOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043701
c1(NC(=O)CC2CCCCC2)n(C)nc2CSCc12	EMOLS-id_334564787,MCULE-3522136508	279.401	JRFVXUVTWQHVSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043702
CC(C1(CCNC1)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_106980467	279.401	DLTFYFQLDBNDQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043703
CCC1CCNC(C1)C(=O)Nc1sc2c(n1)CCC2	PC-id_114428813	279.401	LSRPZVJPSHYGKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043704
C=CC1=Nc2n(S1C(CC1CCCCC1)O)cnc2	SCHEMBL20743364	279.401	DIKRUUNBCCYKBJ-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-043705
CCCC1(CCCN1)C(=O)Nc1sc2c(n1)CCC2	PC-id_106975000	279.401	DYQLORXPJTWZEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043706
CN1CCC(CC1)(C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318767994	279.401	WUGUHZRZDOVPOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043707
n1c2CCCc2sc1CCNC(=O)C1CCCCN1	PC-id_110462344,MCULE-2072972747,EMOLS-id_324834139	279.401	NRXJJDPSHJQALQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043708
n1c2CCCc2sc1CCNC(=O)C1CCCNC1	EMOLS-id_324835934,MCULE-6780860930,PC-id_110462408	279.401	PHXCQVLYPHVQLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043709
n1c2CCCc2sc1CCNC(=O)C1CCNCC1	PC-id_110462275,MCULE-6203515938,EMOLS-id_324833879	279.401	QAPNKFWOHOYHIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043710
NCC1(CCCCC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_115437805	279.401	KGXNGJBQUNQROQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043711
NC(=O)[C@H]1CCCC[C@H]1NCc1nc2c(s1)CCC2	PC-id_97879894,ZINC22_97375107	279.401	UCNUUPGJDPIZHZ-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043712
NC(=O)[C@@H]1CCCC[C@@H]1NCc1nc2c(s1)CCC2	ZINC22_97375103,PC-id_97879891	279.401	UCNUUPGJDPIZHZ-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043713
NC(=O)[C@@H]1CCCC[C@H]1NCc1nc2c(s1)CCC2	ZINC22_97375104,PC-id_97879892	279.401	UCNUUPGJDPIZHZ-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043714
NC(=O)[C@H]1CCCC[C@@H]1NCc1nc2c(s1)CCC2	ZINC22_97375105,PC-id_97879893	279.401	UCNUUPGJDPIZHZ-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043715
O=C(c1cc2n(n1)CCC2)N1CCSC(CC1)(C)C	EMOLS-id_102790014	279.401	GVOGXOMLJDVSSG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043716
O=C(C1CCC1)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030676	279.401	DDZYMARYSWNLGE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-043717
O=C(c1cnn2c1CCC2)N1CCSC(CC1)(C)C	EMOLS-id_102789975	279.401	WWFGXTDMOIIBEG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043718
O=C(C1NCCCC1(C)C)Nc1sc2c(n1)CCC2	PC-id_105567941	279.401	JOPRNHPJMILXFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043719
O=C(c1n[nH]c2c1CCC2)N1CCSC(CC1)(C)C	EMOLS-id_102582459	279.401	SAWRIGSOMXYDLL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043720
O=C(c1sc2c(c1)CCC2)N1CCNCCNCC1	EMOLS-id_319441215	279.401	RROXZILZELYCNQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043721
O=C(c1sc2c(c1)CCC2)NCCN1CCNCC1	MCULE-4967041591,EMOLS-id_301263987,PC-id_43600185	279.401	YFSBTBCNGAQSTH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043722
s1c2c(CCC2)cc1CNC1CCN(CC1)C(=O)N	PC-id_61207228	279.401	NGEOZPUWAAQRIJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043723
s1c2c(CCC2)cc1CNC(=O)CN1CCNCC1	PC-id_61208955	279.401	WAXVHHKZPXLLMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043724
s1c2c(CCC2)cc1C(=O)N1C(CN(CC1)C)CN	PC-id_80505010	279.401	XVLFYQKZHPAWHJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043725
s1c2CCCc2nc1CN1CCN(CC1)C(=O)CC	PC-id_44060332	279.401	IMNNZNYXTJQMQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043726
s1c2CCCc2nc1NC(=O)C1C(CCCC1)CN	PC-id_65880904	279.401	VNVRGJCLYHDPIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043727
s1c2CCCc2nc1NC(=O)C1CCC(CC1)CN	PC-id_79527496	279.401	OJGYOGQHJCWLCD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043728
s1c2CCCc2nc1NC(=O)C1(CCCNC1)CC	PC-id_63134927	279.401	VSNNIJZWQPQRDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043729
s1c2CCCc2nc1NC(=O)C1(CCNC1)CCC	PC-id_55166120	279.401	QOJRLUUBVDDWEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043730
s1c2CCCc2nc1NC(=O)C1(CCNCC1)CC	PC-id_63129165	279.401	OSQYMCQMKACHKD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043731
s1c2CCCc2nc1NC(=O)C1C(N)CCCCC1	PC-id_80156615	279.401	HSZXBCJCSLRROG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043732
s1c2CCCc2nc1NC(=O)C1(N)CC(CCC1)C	PC-id_64554648	279.401	BTBNQOBIWPCHKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043733
s1c2CCCc2nc1NC(=O)CC1(N)CCCCC1	PC-id_64679032	279.401	VFXDELPLNWKZGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043734
s1c2CCCc2nc1NC(=O)CCC1CCCNC1	PC-id_61706645	279.401	FLUJPIDNNQFOEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043735
s1c2CCCc2nc1NC(=O)CCC1CCNCC1	PC-id_62210099	279.401	LMIWUBRDFRYCRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043736
s1c2CCCc2nc1NC(=O)CCC1NCCCC1	PC-id_62210271	279.401	BILVXNDZQKMGCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043737
s1c(CNCC2(CC2)C/C(=N/O)/N)cc2c1CCC2	PC-id_65494373	279.401	IUBVXKOYBMWYPP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-043738
NC(=NCC1CCC1)NCCc1cn2c(n1)SCC2	PC-id_120363256	279.404	AGQHXBZZQCFZAV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-043739
NC(=NCCc1cn2c(n1)SCC2)NC1CCCC1	PC-id_120363222	279.404	AFIQYBSXJWXVDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043740
OC(c1sc2c(c1)CCC2)Cc1sc(c(n1)C)C	PC-id_115826097	279.421	GWWPIPUBHROFTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043741
s1c2c(CCC2)cc1CNCC(O)c1sccc1	PC-id_61207239	279.421	DPLWKDGOZXTTLW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-043742
s1c2c(CCC2)cc1C(O)C(CN)c1sccc1	PC-id_65189991	279.421	MCYKWRNBCRMLOW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-043743
Cc1csc(n1)C(NCc1sc2c(n1)CCC2)C	MCULE-1786296344,EMOLS-id_318729480	279.424	GFKDAYHPMWJCRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043744
Cc1ncc(s1)C(NCc1sc2c(n1)CCC2)C	MCULE-6423164599,EMOLS-id_318114742	279.424	CKJMVSQJDJEWND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043745
Cc1sc(c(n1)C)CNCc1sc2c(n1)CCC2	EMOLS-id_318602801,MCULE-2728770577	279.424	CXHJAQZUGKSDRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043746
Cc1scc(n1)C(NCc1sc2c(n1)CCC2)C	EMOLS-id_318521477,MCULE-6031591741	279.424	BTYYPLZZGCYLET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043747
Cc1sc(nc1C)CNCc1sc2c(n1)CCC2	MCULE-3185346555,EMOLS-id_318473264	279.424	CQKREKSLGMQWTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043748
CC(c1nccs1)(NCc1sc2c(n1)CCC2)C	MCULE-6384934359,EMOLS-id_318052218	279.424	IQPKTCDFUNOBOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043749
CC(c1nsc(n1)NCc1sc2c(c1)CCC2)C	PC-id_65276649,EMOLS-id_314645003	279.424	OPGKQGIRQDNZON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043750
CCCc1nsc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_314645259,PC-id_65276706	279.424	CCLOMTHOGRUVGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043751
CCCNC(c1sc2c(n1)CCC2)c1nccs1	PC-id_104077775	279.424	FANDYJFZVLBXCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043752
CCCNC(c1sc2c(n1)CCC2)c1ncsc1	PC-id_113472289	279.424	FPKWSJAUEOVHSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043753
CCCNC(c1sc2c(n1)CCC2)c1scnc1	PC-id_113373063	279.424	BVECCPSYTZICKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043754
CCNC(c1sc2c(n1)CCC2)c1csc(n1)C	PC-id_113472286	279.424	LYGNXWICNADYTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043755
CC(NC(c1sc2c(n1)CCC2)c1nccs1)C	PC-id_104077788	279.424	PBOIDCRBSKTFPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043756
CC(NC(c1sc2c(n1)CCC2)c1ncsc1)C	PC-id_113472292	279.424	PAYXHYYDYIVABH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043757
CCNC(c1sc2c(n1)CCC2)c1scc(n1)C	PC-id_104771049	279.424	MZJTVVFNDNHGNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043758
CC(NC(c1sc2c(n1)CCC2)c1scnc1)C	PC-id_113373066	279.424	FIYCXGIFMLNMFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043759
NNC(c1sc2c(c1)CCC2)Cc1csc(n1)C	PC-id_105316133	279.424	SLQLWJHTWDVDHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043760
NNC(c1sc2c(c1)CCC2)Cc1scc(n1)C	PC-id_105326575	279.424	KAHOCOXAPRXWHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043761
CCCCCCCCN1Cc2c(C1=O)c(sc2C)C	SCHEMBL18325064	279.441	VGANLAJTAQFAPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043762
CC(C(C(C)C)CNC(=O)c1sc2c(c1)CCC2)C	PC-id_102914352	279.441	PNAZPUCRVQWUQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043763
CCCNC(c1sc2c(c1)CCC2)C1CCCOC1	PC-id_107139077	279.441	RKMROCPGCYPOON-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043764
CCCNC(c1sc2c(c1)CCC2)C1CCOCC1	PC-id_115855828	279.441	GHDSFBMXLZSWRS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043765
CCNC(c1sc2c(c1)CCC2)CC1CCOCC1	PC-id_115847059	279.441	XOOWRDRALQWVHC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043766
CCNC(c1sc2c(c1)CCC2)CCC1CCCO1	PC-id_104993811	279.441	VWHYYALFVYQYGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043767
CNC(c1sc2c(c1)CCC2)CCCC1CCCO1	PC-id_104992994	279.441	XJMBBAVZVNKNBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043768
NC(C1CC(OC1(C)C)(C)C)c1sc2c(c1)CCC2	PC-id_105052795	279.441	XPEMJSQWXKJQRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043769
OC(CC1CCCC1)CNCc1sc2c(c1)CCC2	PC-id_103157418	279.441	MRLFTGMJWGSRIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043770
s1c2c(CCC2)cc1CNC1CC(OCC1)CCC	PC-id_64103671	279.441	WRCFEZVOUTXVEM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043771
s1c2c(CCC2)cc1CNCC1(O)CCCCCC1	PC-id_61206680	279.441	YTXBGSLSMKBZPG-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-043772
s1c(CNC2CC(OCC2)(CC)C)cc2c1CCC2	PC-id_64100627	279.441	XQEMNPPWWLGHBJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043773
s1c(CNC2CC(OCC2)C(C)C)cc2CCCc12	PC-id_64100827	279.441	YZKRTOALKYSLIT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043774
s1c(CNC2C(C(OCC)C2)(C)C)cc2c1CCC2	PC-id_64853295	279.441	PEUYPKGUQYLJTE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-043775
s1c(CNC2C(OC(C2)(C)C)(C)C)cc2c1CCC2	PC-id_79928485	279.441	CWSNBJSVAXNGKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043776
s1c(CNCC2(CCCCC2)CO)cc2c1CCC2	PC-id_81419624	279.441	IYSXENUKMCDBQW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-043777
CC(C1CCSCC1)n1nc2CCC(C)c2c1CN	EMOLS-id_330998961,MCULE-2208847247	279.444	SGZQHHGTXYANCA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043778
s1c2c(CCC2)cc1CNCCN1CCN(CC1)C	PC-id_82889883	279.444	PUEWSJBSZCDQKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043779
s1c2c(nc1C(N1CCNCC1)CC)C(CC2)(C)C	PC-id_79856880	279.444	FLNAOZHFEWUBEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043780
s1c2c(nc1C(N1CCNCC1)(C)C)C(CC2)(C)C	PC-id_79857098	279.444	BTEPQCDXRWCDEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043781
O=C(n1c2CCCc2cc1[Si](C)(C)C)OC(C)(C)C	PC-id_102328147	279.45	BDEHQWWUTBBDHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043782
CCCCC(CC(c1sc2c(c1)CCC2)NC)CC	PC-id_115805608	279.484	UQEPELGZHPGMNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043783
CCCCCCC(c1sc2c(c1)CCC2)NCCC	PC-id_115833342	279.484	CVHXSOQFPRKKRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043784
CCCNC(c1sc2c(c1)CCC2)CCC(C)(C)C	PC-id_115849850	279.484	SECYZHCKCOFVOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043791
s1c2c(CCC2)cc1CNCCCCCCCCC	PC-id_55257630	279.484	OVQITJGHRIZKCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043792
s1c2c(CCC2)cc1CNC(CCCCCCC)C	PC-id_63452237	279.484	IMRIYURTRWQZLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043793
s1c2c(CCC2)cc1CNC(CC(C)C)CC(C)C	PC-id_63452323	279.484	QONUPLYPWSMDIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043794
CC1=C(C)c2c(C1[Si](NC(C)(C)C)(C)C)ccs2	PC-id_101765552	279.516	WSMKBYQLZPXJRW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-043795
CC1=C(C)c2c(C1[Si](NC(C)(C)C)(C)C)scc2	PC-id_101765553	279.516	QISNMDUUGRFDEO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-043796
Clc1nn(c2S(=O)(=O)N(C(=O)c12)C(=O)OC)C	PC-id_44124347	279.658	SVLVIWPWPYTCMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043797
c1ccc(cc1)Cc1nnc2n1NP(N2)C=CCl	PC-id_91008698	279.665	TXBRWLBHGIHJNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043798
Clc1cc(oc1)C(=O)c1n2CCC(c2cc1)C(=O)O	PC-id_20356140,SCHEMBL11665317	279.676	GJQZRLPVEKRWQA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-043799
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccoc1	SCHEMBL11259376,PC-id_20528127	279.676	TZSDBPBLLYWZAJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-043800
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1occc1	SCHEMBL11058129,PC-id_20456512	279.676	ZOGXOBCXPYYUGK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-043801
Clc1c(occ1)C(=O)c1n2CCC(c2cc1)C(=O)O	SCHEMBL11064178,PC-id_20356067	279.676	WAOJVDBUDFHUJM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-043802
Clc1oc(C(=O)c2n3CCC(c3cc2)C(=O)O)cc1	SCHEMBL11658965,PC-id_20356116	279.676	OQNYQUGASGAFBE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-043803
c1(C(=O)Nc2ccc(cc2Cl)F)c2CCCc2[nH]n1	MCULE-3350098398,EMOLS-id_335013043	279.697	VHQRNCGGLZHYDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043804
c1(C(=O)Nc2ccc(c(Cl)c2)F)c2CCCc2[nH]n1	PC-id_110388907,EMOLS-id_179744787,MCULE-4222960273	279.697	JOBCOMQTGHEXSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043805
c1(C(=O)Nc2ccc(c(Cl)c2)F)cn2c(CCC2)n1	MCULE-3765572577,EMOLS-id_321296090	279.697	WYKWUJYZWJHSQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043806
Clc1ccc(c(c1)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_319844582,MCULE-1802362908	279.697	KLQZFGJTIBPZOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043807
O=C(c1occ2c1CCC2)Nc1n(C)nc(c1Cl)C	EMOLS-id_316508314	279.722	MFGOFJXZATZRBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043808
Cn1cc(c(n1)C(=O)NCc1cnc2n1CCC2)Cl	EMOLS-id_319196809	279.725	GSJIIFRJQYCAQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043809
Cn1cc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_319646268	279.725	LVYVKEAKHOTLRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043810
O=C(c1c(Cl)cnn1C)NCc1cnc2n1CCC2	EMOLS-id_320108372,MCULE-5693811411	279.725	IQLQSYLSWAQFNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043811
O=C(c1c(Cl)cnn1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319850339	279.725	RWQDMCAAYGXRSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043812
Brc1cnc(Nc2sc3CCCc3n2)nc1	PC-id_63872688	297.174	DGQDDJRFUSJCJH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056786
O=C(Cn1ncc(c1)Cl)NCc1cnc2n1CCC2	EMOLS-id_319768630	279.725	QREAMQMCGURCHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043813
Clc1nc(nc(NCCc2n3CCCc3nn2)c1)N	PC-id_78857919	279.729	DGJHKLGGEYAOEC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043814
CC1CCc2c1c(N)nn2Cc1cccc(Cl)c1F	MCULE-9487665210,EMOLS-id_330964217	279.74	JMNQKZOCKJNLJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043815
CC1CCc2c1c(N)nn2Cc1cccc(F)c1Cl	EMOLS-id_330962169,MCULE-3203667817	279.74	ZCIWRFTXTXIMEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043816
CC1CCc2c1c(N)nn2Cc1ccc(Cl)cc1F	MCULE-9274303686,EMOLS-id_330964729	279.74	ZMFGTEFLXNIXCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043817
CC1CCc2c1c(N)nn2Cc1ccc(Cl)c(F)c1	EMOLS-id_330962170,MCULE-2486424394	279.74	BDOGOLVNFMLJJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043818
CC1CCc2c1c(N)nn2Cc1ccc(F)cc1Cl	EMOLS-id_330961657,MCULE-6272981486	279.74	SYCBRYSRPDLUOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043819
CC1CCc2c1c(N)nn2Cc1ccc(F)c(Cl)c1	MCULE-1676933757,EMOLS-id_330963961	279.74	WQVCMLBDFDMQBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043820
CC1CCc2c1c(N)nn2Cc1cc(F)ccc1Cl	MCULE-2670739211,EMOLS-id_330961913	279.74	CADAUABLJUABAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043821
CC1CCc2c1c(N)nn2Cc1cc(F)cc(Cl)c1	EMOLS-id_330964473,MCULE-9344714516	279.74	ZBMYCJGNKCSQTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043822
CC1CCc2c1c(N)nn2Cc1c(F)cccc1Cl	MCULE-5689777715,EMOLS-id_330961401	279.74	YNHUDOMPYLZJKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043823
CC1CC(c2n1ccn2)NCc1c(F)cccc1Cl	EMOLS-id_318324029,MCULE-5097908130	279.74	KKTPEZAMLBMJEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043824
CC1CCc2nn(Cc3cccc(Cl)c3F)c(N)c12	MCULE-9507141408,EMOLS-id_331013286	279.74	CHKIYHYFFQGWLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043825
CC1CCc2nn(Cc3cccc(F)c3Cl)c(N)c12	MCULE-2626088074,EMOLS-id_331011238	279.74	IRZGAMROSXCURP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043826
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(N)c12	EMOLS-id_331013798,MCULE-6084718655	279.74	PRXXLLXYIYTEKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043827
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(N)c12	MCULE-7618963415,EMOLS-id_331011239	279.74	LAMHTOOTHHPWGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043828
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(N)c12	EMOLS-id_331010726,MCULE-9477584605	279.74	SREKMBSJPSYFIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043829
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(N)c12	MCULE-1156620599,EMOLS-id_331013030	279.74	HEYYXSMBRMCELM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043830
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(N)c12	MCULE-8332938509,EMOLS-id_331010982	279.74	ZXVFGODEYRWZOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043831
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(N)c12	MCULE-4714335326,EMOLS-id_331013542	279.74	GCYHKKDYMNPYDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043832
CC1CCc2nn(Cc3c(F)cccc3Cl)c(N)c12	MCULE-5419683263,EMOLS-id_331010470	279.74	XRBVGHLALBOHMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043833
CC1(C)OC(C)(C)c2c(CS(=O)(=O)Cl)noc12	MCULE-9157410787,EMOLS-id_259608233	279.74	GXLOYXMFBOXNRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043834
CC(c1cc2n(n1)CCC2)Nc1ccc(c(c1)Cl)F	EMOLS-id_318365768,MCULE-2997286344	279.74	FYLZBFRFTVRWDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043835
Clc1ccc(c(c1)CNC1CC(n2c1ncc2)C)F	EMOLS-id_318173066,MCULE-5916905795	279.74	MEXVPVQQXNAIDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043836
Clc1cccc(c1F)CNC1CC(n2c1ncc2)C	EMOLS-id_318145628,MCULE-2206530429	279.74	GVAGTWVYEXPWHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043837
Clc1ccc(c(c1)F)CNC1CC(n2c1ncc2)C	EMOLS-id_318197996,MCULE-1100615357	279.74	NWWZZFOZYVJBFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043838
Clc1ccc(cc1F)CNC1CC(n2c1ncc2)C	MCULE-8941704410,EMOLS-id_318262315	279.74	VWCGKROILFWDRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043839
Fc1ccc(c(c1)Cl)[C@@H](NC1CCn2c1ncc2)C	EMOLS-id_318211601,MCULE-7952739902	279.74	SQJMEXSFEMINEG-LLTODGECSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043840
Fc1ccc(c(c1)Cl)[C@H](NC1CCn2c1ncc2)C	EMOLS-id_318320125	279.74	SQJMEXSFEMINEG-CGCSKFHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043841
Fc1ccc(cc1Cl)CNC1CC(n2c1ncc2)C	EMOLS-id_317972627,MCULE-3610488243	279.74	RSOAEJIMRMKKMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043842
Fc1ccc(c(c1)Cl)CNC1CC(n2c1ncc2)C	MCULE-3497325512,EMOLS-id_318197431	279.74	ZOJSJLUZZVKXNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043843
Fc1ccc(cc1Cl)CNCc1cnc2n1CCC2	EMOLS-id_317972385,MCULE-3880399403	279.74	XFVISCRTDRXSBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043844
Fc1cccc(c1CNCc1cnc2n1CCC2)Cl	EMOLS-id_318387970,MCULE-9056666744	279.74	RLMKWAIICTUVLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043845
Fc1cc(CNC2CC(n3c2ncc3)C)cc(c1)Cl	MCULE-6889707105,EMOLS-id_317999516	279.74	PDWWNJABYUUWPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043846
c1(sc2c(CCC2)n1)NC(=O)c1ccc(nc1)Cl	EMOLS-id_314963512,PC-id_47119107,MCULE-9217897134	279.745	OSNNPQDTODZQPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043847
c1(sc2c(CCC2)n1)NC(=O)c1ccnc(Cl)c1	EMOLS-id_181477087,PC-id_33041110,MCULE-8050599533	279.745	BVELRQVECAQKFC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043848
Clc1cccc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_62233869,EMOLS-id_314546887	279.745	RBKHLMIJXHJMLS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043849
Clc1ccc(C(=O)N2Cc3sc(nc3C2)N)cc1	PC-id_82194162	279.745	HLVIALHVLWYOBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043850
Clc1ccc(C(=O)Nc2sc3CNCc3n2)cc1	PC-id_82194049	279.745	DEIJJVRBMQOCSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043851
Clc1ccc(nn1)NC(=O)c1sc2c(c1)CCC2	PC-id_113235170,EMOLS-id_315898746	279.745	QJVNBKTYSZYWBX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043852
Clc1cc(C(=O)N2Cc3sc(nc3C2)N)ccc1	PC-id_82194156	279.745	CROKXQTUNCXYAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043853
Clc1cc(C(=O)Nc2sc3CNCc3n2)ccc1	PC-id_82194043	279.745	JALXPNXWBZUVLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043854
Clc1cc(ncc1)C(=O)Nc1sc2CCCc2n1	PC-id_37833247,EMOLS-id_314114017	279.745	KPAADSXOPJFCJA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043855
Clc1ccnc(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_108200704	279.745	DRPNIOILFBUHRO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043856
Clc1c(C(=O)N2Cc3sc(nc3C2)N)cccc1	PC-id_82194155	279.745	PAWPRJPMWKNZFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043857
Clc1c(C(=O)Nc2sc3CCCc3n2)ccnc1	PC-id_66482586	279.745	DQSAOAYBNPHIIO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043858
Clc1c(C(=O)Nc2sc3CCCc3n2)cncc1	EMOLS-id_314744709,PC-id_81226604	279.745	SUZWGGQINGEIBV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043859
Clc1c(C(=O)Nc2sc3CNCc3n2)cccc1	PC-id_82194042	279.745	CSFPUAQBJOUUJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043860
Clc1cncc(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_104819801	279.745	JMNDHTGJOSTKMG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043861
Clc1ncccc1C(=O)Nc1sc2CCCc2n1	PC-id_60674637,EMOLS-id_314534809	279.745	PHQLWRIKCDFCMX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043862
Clc1nccc(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_116798540,EMOLS-id_315021186	279.745	JMFRYRORIVRMCT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043863
Clc1ncc(nc1)NC(=O)c1sc2c(c1)CCC2	PC-id_113979041	279.745	XKYGYEDPVVMRMW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043864
Clc1ncnc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_114050059	279.745	JZBRXCSAZVVPFP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043865
O=C(c1sc2c(c1)CCC2)Nc1nccnc1Cl	PC-id_102989659	279.745	STUUCYFFNUQNHP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043866
CCn1cnc(c1CNC1CC(n2c1ncc2)C)Cl	MCULE-4283934397,EMOLS-id_318528977	279.769	WAPKICMRCJEAEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043867
Clc1cn(nc1NCc1cnc2n1CCC2)C(C)C	MCULE-8567005768,EMOLS-id_318629645	279.769	IQJLIHKRFWHIHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043868
Cn1nc(c(c1CNC1CC(n2c1ncc2)C)Cl)C	EMOLS-id_318576707,MCULE-3106574755	279.769	FHDYHFBQMAQAFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043869
Clc1sc2c(c1)C(CC2)Nc1ccc(c(c1)O)C	PC-id_113991050	279.785	KOHMZKUBYNGMCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043870
Clc1sc2c(c1)C(CC2)NCc1ccccc1O	PC-id_115741643	279.785	KMLGEWFNKIXYPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043871
Clc1sc2CCC(Nc3cc(ccc3)CO)c2c1	PC-id_81252789	279.785	DXXFFHXLIMLJGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043872
Clc1sc2CCC(Nc3c(cccc3)CO)c2c1	PC-id_81252902	279.785	ZKOSHFPGJUDIAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043873
Clc1sc2CCC(Nc3c(cc(O)cc3)C)c2c1	PC-id_81251532	279.785	GKRPESMOPXBVEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043874
Clc1sc2CCC(Nc3cc(c(O)cc3)C)c2c1	PC-id_81560606	279.785	FTXZLNOPHINAGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043875
Clc1sc2CCC(Nc3ccc(OC)cc3)c2c1	PC-id_81251710	279.785	SPNJCNKJRCHDSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043876
Clc1sc2CCC(Nc3cc(OC)ccc3)c2c1	PC-id_81251399	279.785	DXGIQXSAPRSIEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043877
Clc1sc2CCC(Nc3c(OC)cccc3)c2c1	PC-id_81251704	279.785	JXPDMLRFXZWYEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043878
Clc1sc2CCC(NOCc3ccccc3)c2c1	PC-id_82709589	279.785	YSYSBKUVMZSHIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043879
Oc1ccc(cc1)CNC1CCc2c1cc(s2)Cl	PC-id_115888877	279.785	WQUWRNNALHPYRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043880
OCc1ccc(cc1)NC1CCc2c1cc(s2)Cl	PC-id_104305374	279.785	IXHZOXPLJHIBSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043881
OC(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_112655715	279.785	ANLKESPGRFEKQU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043882
Cc1cc(NCc2sc3c(c2)CCC3)nc(n1)Cl	PC-id_106194023	279.788	AELRNRNFMQDUBE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043883
Cc1c(ncnc1Cl)NCc1sc2c(c1)CCC2	PC-id_106194055	279.788	PTSREMADYWHAHO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043884
Clc1ccc(CSCc2nnc3CCCn23)cc1	EMOLS-id_324832516,MCULE-2572214384	279.788	PZLHTKZSQJLPBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043885
Clc1ccc(nc1)CNCc1sc2c(n1)CCC2	EMOLS-id_318653519,MCULE-8280067666	279.788	ZHSNRWDGFDQFID-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043886
Clc1ccc(NCc2n3CCSc3nc2C)cc1	PC-id_21811887	279.788	GLMCBUNXDRSGRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043887
Clc1cnc(c(c1)C)NCc1sc2c(n1)CCC2	EMOLS-id_318033707,MCULE-3566472099	279.788	SRGPYPIUNQJSDB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043888
Clc1cncc(c1)CNCc1sc2c(n1)CCC2	EMOLS-id_318750591,MCULE-1787994136	279.788	GALKQHSWJSFFSX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043889
Clc1cnccc1CNCc1sc2c(n1)CCC2	MCULE-9276822396,EMOLS-id_318602698	279.788	IOOUCGNWGWXXIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043890
Clc1ncc(c(n1)NCc1sc2c(c1)CCC2)C	PC-id_106194075	279.788	MWUNDHKYBDWQTF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043891
Clc1sc2CCC(NCc3ncc(nc3)C)c2c1	PC-id_81251319	279.788	OIOPOXJJOSEKHC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043892
Clc1sc2CCC(NCc3nc(ncc3)C)c2c1	PC-id_81251613	279.788	BTEUZIZAZDBABM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043893
CSc1ccc(cc1NC1CCn2c1ncc2)Cl	EMOLS-id_318012054	279.788	VIVPPRGYSHIHLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043894
Clc1cc2c(s1)CCC2NCCS(=O)(=O)C	PC-id_81251847,EMOLS-id_314253632	279.807	WDJPTGADBIIYGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043895
ClCCS(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_107651661	279.807	QFAOYGXZEXFLCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043896
C[n+]1c(SCc2ccc(Cl)cc2)cn2c1CCC2	ZINC22_17139163,PC-id_794074,CoCoCo_625026,MCULE-9441090847,EMOLS-id_300545419	279.808	QFAGHAVEMMBXGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043897
Brc1[nH]c(Br)c2c1CNC2=O	PC-id_82626786	279.917	NZTILJHNZGXNBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043898
C1COC2=C(C(=NN21)C(=O)O)I	MCULE-5849205879,PC-id_154881951,EMOLS-id_316789036	279.934	CTHYXGATJRQNKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043899
CC1(CC2=C([C@H]1N)SC=N2)I	PC-id_163886890	279.953	PYDDNNMTVMYWPC-ULUSZKPHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043900
C1CC(=O)C2=C1C=NN2CC3=C(C=C(C=C3)Cl)Cl	PC-id_153388192	280.017	LQEXCZRWOCRWBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043901
Ic1scc2C(=O)OC(=O)c12	PC-id_134830396,EMOLS-id_316778024,MCULE-7653690039	280.04	ANNFNERXXQXBAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043902
C1C(OC2=CC(=NN21)C(=O)O)CCCOC(F)(F)F	PC-id_152046437	280.067	UPTYDMGVWJUZLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043903
C1C(OC2=CC(=NN21)C(=O)O)CCOCC(F)(F)F	PC-id_150533227	280.067	IEHDMAUOJDBUTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043904
c12N(CCn1nc(Br)c2C=O)CC(F)F	EMOLS-id_320442135,MCULE-3635260448	280.069	MBMVVIFFEPFCTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043905
c12CCCc1n(nc2I)CCF	EMOLS-id_324387921,MCULE-2370133513	280.081	IPMKHRAALUKJMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043906
c1(C=O)c2COCc2sc1I	MCULE-4122735153,EMOLS-id_331064353	280.083	GHZRURWSQFTLLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043907
[Se]1(=O)Cc2c(C1)c([se]c2C)C	PC-id_13350178	280.084	FDLMXUGEOUCNFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043908
IC=c1sc(=O)n2c1=NCC2	SCHEMBL14685588,PC-id_71251455	280.086	QRUCXWGHEWWNBS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-043909
ISn1ccc2c1CNC2=O	PC-id_145631992	280.086	KKPJTJQGNRLHMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043910
CCC1=CC2=C(C1(F)F)N(N=C2C(F)(F)F)C(C)C	PC-id_153569797	280.1	VFJHMRKAAGSEKV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-043911
Brc1cnc(nc1)Nc1cn2c(n1)CCC2	SCHEMBL18421305	280.124	OQADNAKQVQBBDG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-043912
CC1(C2=C(C=CS2)C(=O)N1CCN3CCOCC3)C	PC-id_155144652	280.125	PUXYINOLQMYDNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043913
c12CCCc1sc(CO)c2I	MCULE-4714676511,EMOLS-id_330872896	280.126	RBEXBVHIGWQGPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043914
c1(CO)c2CCCc2sc1I	EMOLS-id_331060520,MCULE-6878614747	280.126	KOVCBLHBMDDJBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043915
c1(CN)c2CNCc2sc1I	EMOLS-id_331066158,MCULE-6992540074	280.129	ILISTBAEYYGTIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043916
C/C(=CC(=C/C(=C(C)C1CC2=NC=CN2C1)F)OC)/F	PC-id_154930714	280.139	YVUNXQMPOGMZKQ-JNJXZSGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043917
CCOC(=O)C1=NN2CC(OC2=C1)CCOCC3CC3	PC-id_152544897	280.142	YMGYGSGIKWGTAU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043918
C1CN(CCOC1)CCNC(=O)C2=NN3CCOC3=C2	PC-id_154742596,EMOLS-id_317299676,MCULE-4419526091	280.154	KZUYTDSIUKWEOL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-043919
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C(C)(C)C)C	PC-id_160715203	280.154	RSJKNAUXGHSKQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043920
CC(C)(C)OC(=O)N1CC2=C(C1)N(C(=N2)C(=O)CN)C	PC-id_161782862	280.154	XQJBPWKZDSPFNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043921
C1CC(CC=C1)C(C2=CC=NC=C2)N3C=C4CNCC4=N3	PC-id_164849007	280.169	FKNNZGHOPGTILX-UHFFFAOYSA-N	00000010100011101001000010000000000000000000000000000000	25-01-043922
C[C@H]1[C@H](C(c2c1c(nn2CC(=O)O)C(F)F)(F)F)C	PC-id_134443794,SCHEMBL20078987	280.219	SIEPIPAPBUSREF-CRCLSJGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043923
CCOC(=O)Cn1c2c(CC(C2)(F)F)c(n1)C(F)F	SCHEMBL15708379,PC-id_90150166	280.219	BPLLSHPEQWJPPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043924
CCOC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)F	PC-id_142291428	280.219	QGNPRSLQJUDVNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043925
c12CN(Cc1nn(CCF)c2C=NO)CC(F)(F)F	MCULE-3011244035,EMOLS-id_324356460	280.222	VUQQIVJNXJVYPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043926
CN(C(=O)C(C(F)F)(F)F)Cc1nnc2n1CCC2	PC-id_103732476	280.222	YDHBDTHCYSDKGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043927
FC(C(C(=O)NC(c1nnc2n1CCC2)C)(F)F)F	PC-id_103733188	280.222	PSMPAIYBMRVKRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043928
O[C@@H]1[C@H](NC(=O)C(F)(F)F)c2c(/C/1=NO)scc2	CoCoCo_5749081	280.224	XXPSPOTXMUYWET-KLKHEXSHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043929
O[C@@H]1[C@H](NC(=O)C(F)(F)F)c2c(/C/1=N/O)scc2	CoCoCo_5749082	280.224	XXPSPOTXMUYWET-MXLBCCQQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043930
O[C@@H]1[C@@H](NC(=O)C(F)(F)F)c2c(/C/1=NO)scc2	CoCoCo_5749085	280.224	XXPSPOTXMUYWET-GEDRWLHZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043931
O[C@@H]1[C@@H](NC(=O)C(F)(F)F)c2c(/C/1=N/O)scc2	CoCoCo_5749086	280.224	XXPSPOTXMUYWET-LAYJVADJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043932
O=C(N[C@@H]1c2ccsc2/C(=NO)/[C@H]1O)C(F)(F)F	CoCoCo_5749083,ZINC22_104315540,PC-id_93475205	280.224	XXPSPOTXMUYWET-BPJJZCAYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043933
O=C(N[C@@H]1c2ccsc2/C(=N/O)/[C@H]1O)C(F)(F)F	CoCoCo_5749084,ZINC22_38183507,PC-id_98562493	280.224	XXPSPOTXMUYWET-YLWHLKLDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043934
O=C(N[C@H]1c2ccsc2/C(=NO)/[C@H]1O)C(F)(F)F	CoCoCo_5749087,ZINC22_104315537	280.224	XXPSPOTXMUYWET-PHZCRKQBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043935
O=C(N[C@H]1c2ccsc2/C(=N/O)/[C@H]1O)C(F)(F)F	NSC681946,CoCoCo_5749080,ZINC22_5822585	280.224	XXPSPOTXMUYWET-UJAKGBBPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043936
OC(=O)C1CCc2sc(NC(=O)C(F)(F)F)nc12	EMOLS-id_331241252	280.224	JEMVPLUYNMWONR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043937
s1c2c([C@H](NC(=O)C(F)(F)F)[C@H](O)C2=NO)cc1	PC-id_387812	280.224	XXPSPOTXMUYWET-NJGYIYPDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043938
s1c2c(C(NC(=O)C(F)(F)F)C(O)C2=NO)cc1	PC-id_496199	280.224	XXPSPOTXMUYWET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043939
s1c2c(C(NC(=O)C(F)(F)F)C(O)/C/2=N/O)cc1	PC-id_5818107	280.224	XXPSPOTXMUYWET-RZNTYIFUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043940
O=C(c1ccc(OC(F)F)nc1)N1CCn2nccc12	EMOLS-id_316337819,MCULE-9909171510,ZINC22_935882291	280.23	IOGNZSNCVPTEOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043941
CCOC(=O)C1=c2c(=NC1=O)c(c([nH]2)O)C(=O)OCC	PC-id_135459626	280.233	PINRDCAQIZJJPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043942
CC1(Cn2cc(nc2O1)[N+](=O)[O-])Cn1c(ccc1O)O	PC-id_91136864	280.237	OMYPKTSEUSRKQF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-043943
O1C(Cn2c1nc([N+](=O)[O-])c2)(CN1C(=O)CCC1=O)C	PC-id_23081480,SCHEMBL5534789	280.237	HISUNINVQSBNBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043944
FC(F)(F)c1ccc(C=Nc2onc3CCCc23)cc1	PC-id_58664471	280.245	YRCUJXOPYCQBIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043945
FC(c1ccc(nc1)NN=C1CCn2c1ccc2)(F)F	PC-id_71899695,MCULE-9887086546,EMOLS-id_44522122	280.248	FPTMJFATLLUSTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043946
FC(F)(F)c1ccc(N/N=C/CCn3cccc23)nc1	PC-id_75362249,ZINC22_55350072	280.248	FPTMJFATLLUSTI-ZDLGFXPLSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043947
c1(C(=O)OCC)c2CSCc2nn1CC(F)(F)F	EMOLS-id_324396635,MCULE-5800898128	280.267	IDXXWPMTBLLFMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043948
CCOC(=O)Cn1c2c(CSC2)c(n1)C(F)(F)F	SCHEMBL15708696,PC-id_90150316	280.267	BSRDUNFIGZUUIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043949
CCOC(=O)Cn1nc2c(c1C(F)(F)F)CSC2	PC-id_71185130,SCHEMBL14484700	280.267	XRUBYBZGPDRIMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043950
OC(=O)C1CCc2c1nc(s2)NCCC(F)(F)F	EMOLS-id_260736681,PC-id_104288648	280.267	SWSRWYWJKWUGEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043951
OC(=O)C1CCc2c1nc(s2)N(CC(F)(F)F)C	PC-id_113395717,EMOLS-id_315069909	280.267	NZPZSPOQBIWXPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043952
COc1c(cc(cc1F)F)NC1CC(n2c1ncn2)C	MCULE-1761575981,EMOLS-id_318736269	280.273	WNFYXRGSTZJDDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043953
FC(Oc1cccc(c1)NC1CC(n2c1ncn2)C)F	EMOLS-id_318499134,MCULE-7559636371	280.273	JZUIXJLTTMCHDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043954
FC(Oc1ccccc1NC1CC(n2c1ncn2)C)F	EMOLS-id_318785562,MCULE-7027253320	280.273	WWALNVMUXKRBMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043955
FC(Oc1ccc(cn1)NC1CC(n2c1ncc2)C)F	MCULE-9896002627,EMOLS-id_318291465	280.273	LYJDPDYAKVCIES-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043956
N#CC1CC(CN1C(=O)c1n(C)nc2c1CCC2)(F)F	EMOLS-id_319801798	280.273	KRKLLKSQXJQFEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043957
CCOC(=O)c1c(C(=O)OCC)c(n2c1CC(=O)N2)C	PC-id_101052745	280.277	DIJJWCUCDNGWNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043958
O=C(OC(C)(C)C)Cn1nc2c(c1C(=O)O)CCC2=O	PC-id_144694156	280.277	MJSAPWJBHBPBMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043959
n12c(C(C(=O)O)CC1)ccc2C(=O)c1ccc(C#N)cc1	CHEMBL9186,PC-id_13487058	280.278	SFQYBUKSWQDAMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043960
N#Cc1ccc(cc1)C(=O)c1cc2c(n1C)C(C(=O)O2)C	PC-id_15485818,SCHEMBL7680382	280.278	CDHQLVLLBBGMRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043961
N#Cc1ccc(cc1)C(=O)c1c(C)c2c(n1C)CC(=O)O2	SCHEMBL7677930,PC-id_18424183	280.278	SAFVSRUDFVRWOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043962
N#Cc1cccc(C(=O)c2ccc3n2CCC3C(=O)O)c1	CHEMBL9468,PC-id_13487057	280.278	WGYULEMACRLMCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-043963
CN(C(=O)CNC(=O)c1oc2c(n1)CN(C2)C(=O)C)C	PC-id_97410649	280.28	VGNBLINTXRSWPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043964
O1C(CN2CCC(=O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL3466207,PC-id_23081286	280.28	TUQSQLCIAOBALH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043965
O=C(c1cc(c2ccccc2)no1)N1Cc2cn[nH]c2C1	ZINC22_314910251	280.281	LDLCQOQKKLDBIP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-043966
O=C(c1ccc(c2cnco2)cc1)N1CCn2ccnc12	ZINC22_1533789298,MCULE-1924391188,EMOLS-id_320381064,PC-id_139014558	280.281	LUEMFJGHLTUIAF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-043967
O=C(N1CCn2c1ccn2)c1ccnc(c1)c1ccco1	EMOLS-id_319806676	280.281	UVGULRNJYZQYOS-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-043968
OC1NC(CC(=O)N1)C(=O)NCc1n2CCCc2nn1	PC-id_75770531	280.283	SXIIZJWZYBBIOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-043969
O=C(c1ccccc1n1ccnn1)N1Cc2c[nH]nc2C1	MCULE-9010163695,EMOLS-id_316830171,ZINC22_647796292	280.285	RVAQZQMFCBBYES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-043970
c12C(C)CCc1nn(Cc1ccccc1C(F)(F)F)c2	EMOLS-id_330999717,MCULE-9847912701	280.288	RMQVGTUFJQQSKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043971
c12C(C)CCc1nn(Cc1ccc(cc1)C(F)(F)F)c2	MCULE-4212976708,EMOLS-id_331001508	280.288	HNEUHGRGSCKSAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043972
c12C(C)CCc1nn(Cc1cccc(c1)C(F)(F)F)c2	MCULE-4647854970,EMOLS-id_331001765	280.288	DBJLSUKNVKZOLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043973
CC1CCc2c1cnn2Cc1ccccc1C(F)(F)F	EMOLS-id_331017959,MCULE-9241779463	280.288	PXKDFRMSRPHDIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043974
CC1CCc2c1cnn2Cc1ccc(cc1)C(F)(F)F	MCULE-2228354140,EMOLS-id_331015655	280.288	KKUTXJJRQHZIDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043975
CC1CCc2c1cnn2Cc1cccc(c1)C(F)(F)F	MCULE-7047779946,EMOLS-id_331015912	280.288	MZQKIRYCPYYTPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043976
c1(sc2c(CCC2)n1)NC(=O)c1cc(F)ccc1F	PC-id_33040116,EMOLS-id_181477229,MCULE-7387654447	280.293	HFYAKYZZQBVTJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043977
Fc1ccc(cc1F)C(=O)Nc1nc2CCCc2s1	ZINC22_12855361,EMOLS-id_18851815,PC-id_25555276,MCULE-7311171672,CoCoCo_4164088	280.293	PCENZQRYPFPYAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043978
Fc1ccc(c(n1)F)NC(=O)c1sc2c(c1)CCC2	PC-id_113775086	280.293	ZSVYQSNPKSLDIS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-043979
Fc1ccc(C(=O)Nc2nc3CCCc3s2)c(F)c1	EMOLS-id_24061090,PC-id_26723073,ZINC22_15636411,MCULE-9940373760,CoCoCo_4164044	280.293	QVCWWLOCUPUWLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043980
O=C(Nc1nc2c(s1)CCC2)c1cc(F)cc(F)c1	CoCoCo_4164180,EMOLS-id_18834743,ZINC22_12775713,PC-id_25502172,MCULE-4988778902	280.293	URRPCXISDVLEPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043981
s1c2CCCc2nc1NC(=O)c1c(F)c(F)ccc1	PC-id_55100353	280.293	WKSRHGNUVPSLIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043982
NCC(CNS(=O)(=O)c1cnc2n1CCC2)(F)F	PC-id_121704290,EMOLS-id_303000432,MCULE-6678325081	280.295	LCTCWZSJDJTADM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043983
CN(C)C(=O)c1nn(C)c2c1CN(C(=O)C1(F)CC1)C2	EMOLS-id_313745874,ZINC22_1565550678	280.298	DZXRUVWNXJZOIY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-043984
c1(NC(=O)C=CC(=O)O)sc2c(CCC2)c1C(=O)N	MCULE-9104610292,PC-id_3503225	280.3	IBRIYRXUASBBOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043985
C(=O)(Nc1sc2CCCc2c1C#N)COCC(=O)O	MCULE-5751597791,PC-id_60708179,EMOLS-id_328047231	280.3	QIGJNHRIORLGQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043986
NC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCC2	PC-id_5845286,EMOLS-id_25982187,CoCoCo_5828010,SPECS-id_AK-968/15603310,ZINC22_4614959	280.3	IBRIYRXUASBBOC-SNAWJCMRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043987
OC(=O)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_92952686,CoCoCo_5828011	280.3	IBRIYRXUASBBOC-PLNGDYQASA-N	00000010100000000000000010000000000000000000000000000000	25-01-043988
S(c1n2c(CCC2)c(c1C(=O)OC)C(=O)OC)C#N	PC-id_14669085	280.3	YAGITJOYTMWGOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-043989
Cc1ccc(cc1)S(=O)(=O)n1c(=O)n2CCNc2n1	PC-id_135873304	280.303	PZBFEKSBBQZSSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-043990
COc1cncc(c1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319125874	280.303	MBYRYHYXGLVPGU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-043991
COc1snc(c1C(=O)N1Cc2c(C1)[nH]nc2)OC	EMOLS-id_320010870,MCULE-1716805378	280.303	CNCLDAXLMNXEOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043992
COc1snc(c1C(=O)N1CCn2c1ccn2)OC	EMOLS-id_318858274	280.303	FWNRDKOQPAQPOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043993
COc1snc(c1C(=O)N1CCn2c1ncc2)OC	EMOLS-id_320065873,MCULE-1721139632	280.303	GPZGYHYJXHLDQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043994
OC(=O)C1CCc2c1nc(s2)NCc1noc(n1)C	PC-id_106411451	280.303	ULLTYQUDOBFQJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043995
OC(=O)C1CCc2c1nc(s2)NCc1onc(n1)C	PC-id_113395752	280.303	HIYAPELXOLEMGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043996
OC(=O)C1CCc2c1nc(s2)NCCc1ncno1	PC-id_114185460	280.303	OWYHHLSWWLHUMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043997
OC(=O)C1CCc2c1nc(s2)NCCc1nocn1	PC-id_106411512	280.303	YZENLRXYXYBHCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043998
S1Cc2c(noc2NC(=O)c2cn(nc2OC)C)C1	PC-id_45505363	280.303	WDTGRSGBOOPMCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-043999
OC(=O)C1CCc2c1nc(s2)NC(c1n[nH]nn1)C	PC-id_104288260	280.306	ZPHPSFSPEMLALD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044000
COC(=O)C1(CC(=O)OC(C)(C)C)Cc2c(C1)coc2	SCHEMBL8903076,PC-id_23358972	280.316	MDMGNIDSHKUJEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044001
FS(=O)(=O)c1c2CCCc2nn1Cc1ccccc1	EMOLS-id_208137282,MCULE-8806134392	280.318	FSRAHAKPGNKQFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044002
c1(C(=O)OCC)c2C(C)CCc2n(CC(=O)OCC)n1	EMOLS-id_330999287,MCULE-6337191041	280.32	FQFSKQNGWHPNCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044003
C=CC[C@H]1CC(c2c1c(n[nH]2)C(=O)OCC)OCOC	SCHEMBL20430266	280.32	DZVRBJGCKHBWGK-RGURZIINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044004
CCOC(=O)C1Cc2c(C1)ncn2C(=O)OC(C)(C)C	SCHEMBL7829621,PC-id_15814392	280.32	KCSGCTHTUQRKEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044005
CCOC(=O)Cn1nc2CCC(C)c2c1C(=O)OCC	EMOLS-id_330985399,MCULE-5565886064	280.32	FUVICHYMQKWLMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044006
COC(=O)c1cc2CCC(NC(=O)OC(C)(C)C)c2[nH]1	MCULE-4154235104,EMOLS-id_259573514	280.32	CNBAQODTOARRIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044007
OCC(NC(=O)c1[nH]c2c(c1)CCC2)CC1OCCO1	EMOLS-id_318846705	280.32	YKARBIXSRGTGTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044008
O(C(=O)c1c2n(CCC2)c(CCCNC(=O)OC)c1)C	PC-id_10446383	280.32	BOMFNJYGQXFPGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044009
O(C(=O)N1Cc2c([nH]c(c2CC(=O)O)C)C1)C(C)(C)C	PC-id_84811881	280.32	QOCCCHQYFPEOGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044010
CCOc1ccc(cc1)C(=O)c1ccc2n1CCC2C#N	PC-id_70566832,SCHEMBL11340229	280.321	VIFCSXMRVKCKFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044011
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)C#N	SCHEMBL1055855,PC-id_59180047	280.321	MSLZVNRGRWNMDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044012
c12CN(Cc1nn(CC)c2C(=O)NCC)C(=O)OCC	MCULE-3954578845,EMOLS-id_324357473	280.323	YRSHJRSLUHMLTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044013
c12CN(Cc1nn(CCC)c2C(=O)NCC)C(=O)OC	EMOLS-id_324355425,MCULE-8666805991	280.323	IGDCGEHTSILYDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044014
c12CN(Cc1nn(CCC)c2C(=O)NC)C(=O)OCC	EMOLS-id_324350318,MCULE-9074898320	280.323	XIISDHLJXUFHMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044015
c12CN(Cc1nn(CC(C)C)c2C=NO)C(=O)OCC	EMOLS-id_324355181,MCULE-7712513411	280.323	FAMAVZPDGYUMTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044016
c1(CN(C)C(=O)NCCCC(=O)O)c2CCCc2[nH]n1	EMOLS-id_177384433,PC-id_121497643,MCULE-6546563189,ZINC22_426412291	280.323	NCXKXTDHMCYRGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044017
c1(CN(C)C(=O)N[C@H]2COC[C@@H]2O)c2CCCc2[nH]n1	PC-id_122558757,MCULE-9893880690,ZINC22_534586762,EMOLS-id_177384093	280.323	OYYYECUWWXIGBL-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044018
C1COCCN1CCCNC(=O)c1nn2CCOc2c1	PC-id_91959873	280.323	QHJOMFMUKKQZST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044019
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)CC)Cc12	EMOLS-id_316325169,MCULE-8288714627	280.323	BAGYGLULPPLHMH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-044020
Cc1c2n(CCO2)nc1C(=O)NCCC(=O)NC(C)C	PC-id_91959944	280.323	NIMRHJDPTOPBCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044021
CCCCNC(=O)N1Cc2c(C1)cnn2C(=O)OCC	PC-id_141280102	280.323	ZQPDPZRNDFFONS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044022
CCCNC(=O)c1oc2c(n1)CN(C2)C(=O)CN(C)C	PC-id_97407310	280.323	FFNWMPQVFIGXFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044023
CCCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319405609	280.323	UVMWPWVTIMRALS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044024
CCC(NC(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319556627	280.323	VQDPPCZHWPHLKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044025
C[C@@H](CN1CCN(CC1)C(=O)c1cc2n(n1)CCO2)O	EMOLS-id_99608077	280.323	QXHZEWWJZDNVRW-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-044026
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)C(=O)N	PC-id_118614160,SCHEMBL17380425	280.323	GKNZVSNQHUXOAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044027
CCN(CC)C(=O)N1Cc2nn(C)cc2[C@@H]1C(=O)OC	ZINC22_1775993278	280.323	PMNHVAKXWBPNII-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044028
CCN(CC)C(=O)N1Cc2nn(C)cc2[C@H]1C(=O)OC	ZINC22_1775993285	280.323	PMNHVAKXWBPNII-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-044029
CC(NC(=O)N1Cc2c(C1)nc(o2)C(=O)NC(C)C)C	PC-id_97404562	280.323	VGBAXWVTIPFMIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044030
CCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)CC	EMOLS-id_319617046	280.323	DWFZZPCRHMQPOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044031
CCOCC1OCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319014765	280.323	RBWDBHIJGOGBEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044032
CC(=O)NCc1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C	SCHEMBL19358472	280.323	FKAUZIZUKQZJGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044033
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)CC	MCULE-5123016283	280.323	BAGYGLULPPLHMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044034
COCC(=O)N1Cc2c(CN(C)C(=O)C)nn(C)c2C1	PC-id_97519180,ZINC22_96259090	280.323	RCRXQIQTMXGDDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044035
COC(=O)c1c(NC(=O)NC(C)(C)C)nc2n1CCC2	EMOLS-id_318983658	280.323	YBHAIMXWDLUPOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044036
COC(=O)c1c(NC(=O)NCC(C)C)nc2n1CCC2	EMOLS-id_319082843	280.323	JXEQGXIMDRSZSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044037
COC(=O)C1N(Cc2c1cn(n2)C)C(=O)N(CC)CC	EMOLS-id_316294331,MCULE-6486375183	280.323	PMNHVAKXWBPNII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044038
O=C1c2sccc2S(=O)(=O)N1Cc1cccnc1	CoCoCo_1108109,PC-id_16646050,MCULE-2466000786,EMOLS-id_15206123,SPECS-id_AN-153/J101185,ZINC22_12652614	280.323	DPFAKANOUVEVLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044039
OCC1(COCCN1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319535566	280.323	JUUPEDKUMZXNDG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044040
OCC1(COCCN1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_279014398	280.323	DEIORUXDEFACTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044041
OCC1(COCCN1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319134408	280.323	SDKHBRZRMROLOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044042
O=C(C(C(C(=O)O)C)C)NC(c1nnc2n1CCC2)C	PC-id_103497441	280.323	PHGJJMDBNMFXSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044043
O=C(NC(c1n2CCCc2nn1)C)CCCCC(=O)O	PC-id_60940365	280.323	BMYIKKRTPFSLSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044044
O=C(N(Cc1n2CCCc2nn1)C)CCCCC(=O)O	PC-id_60948990	280.323	UUOPOCXNLXVVMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044045
O=C(N(Cc1n2CCCc2nn1)C)CC(C)(C)C(=O)O	PC-id_65302473	280.323	QSPXMBVRPLQHFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044046
O=C(NC(c1n2CCCc2nn1)C)CC(C)(C)C(=O)O	PC-id_65302798	280.323	RBLAMXCLWSUNTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044047
O=C(NC(c1n2CCCc2nn1)C)CC(CC(=O)O)C	PC-id_62964043	280.323	WHNBGCCYZBVIAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044048
O=C(N(Cc1n2CCCc2nn1)C)CC(CC(=O)O)C	PC-id_62965430	280.323	VHKFJKDKUDHGET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044049
O=C(N(Cc1n2CCCc2nn1)C)CCC(=O)OCC	PC-id_60763864	280.323	UICWYEWBXQJPGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044050
O=C(NC(c1n2CCCc2nn1)C)CCC(=O)OCC	PC-id_60763909	280.323	HOVVJJWOEQPGAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044051
O=C(OC(C)(C)C)N[C@@H](C(=O)N1CCn2c1ncc2)C	EMOLS-id_258164395,MCULE-7094777929	280.323	RNCJLKVOGUIIAG-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044052
O=C(OC(C)(C)C)N[C@H](C(=O)N1CCn2c1ncc2)C	MCULE-1247085866,EMOLS-id_258164398	280.323	RNCJLKVOGUIIAG-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-044053
OC(=O)C(C(C(=O)N(Cc1nnc2n1CCC2)C)C)C	PC-id_103497828	280.323	ITONVCSRRLGOSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044054
c1(C(=O)NN=CC=Cc2ccccc2)c2CCCc2[nH]n1	MCULE-6319192876,PC-id_3100979	280.324	HCGOUBRDLPJVCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044055
Cc1ccc(NC(=O)c2c(N)c(C#N)c3n2CCC3)cc1	CoCoCo_5763401,CHEMBL572711,PC-id_393843,NSC696770	280.324	ULALCVBMFFTABU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044056
N#Cc1cccc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319633417	280.324	VEWGDMZALWJIOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044057
N#Cc1ccc(cc1)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319864222,MCULE-8302283598	280.324	LTGLLAITMOZVSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044058
N#Cc1cc(ccc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320064898,MCULE-2018092585	280.324	MOBKFGFAKIWEHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044059
N#Cc1ccc(cc1)C(NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318594375	280.324	GXDZKXVLAIHMRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044060
N#Cc1cc(C)c(c(c1)C)CC(=O)N1CCn2c1ncc2	EMOLS-id_319299745	280.324	BTIDMPKLVJMICS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044061
N#CCc1ccccc1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318541236	280.324	KKZNPVDSOQOZNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044062
N#CCc1ccc(CNC(=O)c2cnc3n2CCC3)cc1	MCULE-6552205866,EMOLS-id_316922352,ZINC22_597807158	280.324	MBONDISMVMQPQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044063
O=C(c1[nH]nc2c1CCC2)N/N=CC=Cc1ccccc1	CoCoCo_44531,CoCoCo_44535	280.324	HCGOUBRDLPJVCP-GZZPHGLASA-N	00000010100000110001000010000000000000000000000000000000	25-01-044064
O=C(c1[nH]nc2c1CCC2)N/N=CC=C/c1ccccc1	CoCoCo_44534,CoCoCo_44530	280.324	HCGOUBRDLPJVCP-AFJXRGGSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044065
O=C(c1[nH]nc2c1CCC2)N/N=C/C=Cc1ccccc1	CoCoCo_44536	280.324	HCGOUBRDLPJVCP-YMZVDNRMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044066
O=C(N1Cc2c([nH]nc2C#Cc2ccccc2)C1)N(C)C	PC-id_10265670	280.324	KCOHWDVZMKRLDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044067
O=C(Nc1c(cccc1)C)c1n2CCCc2c(c1N)C#N	PC-id_51039263	280.324	OXDFRWFIMVSHOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044068
O=C(NCc1ccccc1)c1c2n(CCC2)c(c1N)C#N	PC-id_13929293	280.324	GZZIAXHJFVWDSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044069
O=C(N/N=C/C=C/c1ccccc1)c1n[nH]c2CCCc12	BAS-00338650,CoCoCo_44533,CoCoCo_44529,SPECS-id_AT-225/NB33027,CoCoCo_44532,EMOLS-id_25782863,PC-id_6871483	280.324	HCGOUBRDLPJVCP-NSYQEJESSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044070
O=C(NN=C/C=C/c1ccccc1)c1n[nH]c2CCCc12	PC-id_1718913	280.324	HCGOUBRDLPJVCP-UKNXVJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-044071
CCC(C(=O)Nc1n[nH]c2c1CN(C2)NC(=O)N)CC	PC-id_140537236	280.326	KDNASYIUGUKKQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044072
c1ccc(n2cnnc2NCc2cc3n(n2)CCC3)cc1	ZINC22_656773507,MCULE-8173450570,EMOLS-id_316920270	280.328	WAGHDUBIVBELNW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044073
c1ccc(n2nccn2)c(NCc2cc3n(n2)CCC3)c1	MCULE-3754949549,EMOLS-id_316968563,ZINC22_952993473	280.328	HRMHJSXJKMPOPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044074
c1ccc(n2ncc(NCc3cnn4c3CCC4)n2)cc1	MCULE-3602893929,PC-id_146104671,ZINC22_1875284254,EMOLS-id_324031593	280.328	SWGXHJBOWXTBQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044075
Cc1nn2c(c1/C=c
/c(C)nn3c1ncc3C)[nH]cc2C	SCHEMBL13325657	280.328	FTQPEYPUCOYOIH-ACAGNQJTSA-N	00000000100000000001000110000000000000000000000000000000	25-01-044076
n12[nH]c(c(c1ncc2C)/C=c/1c2n(nc1C)c(cn2)C)C	PC-id_59055225	280.328	ZWQMRHDBEPLJLM-ACAGNQJTSA-N	00000000100000000001000110000000000000000000000000000000	25-01-044077
n12[nH]c(c(c1ncc2C)C=c1c2n(nc1C)c(cn2)C)C	PC-id_70880683	280.328	ZWQMRHDBEPLJLM-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-044078
Fc1ccc(c(c1C(c1sc2c(c1)CCC2)O)F)C	PC-id_115829284	280.333	FLCIBLCJHBMPIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044079
Fc1ccc(c(c1)CC(c1sc2c(c1)CCC2)O)F	PC-id_114981905	280.333	XOQYKIQXTAIOMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044080
Fc1cc(cc(c1)F)CC(c1sc2c(c1)CCC2)O	PC-id_105412793	280.333	ZLAWBCJHGSXZAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044081
OC(c1ccc(c(c1F)F)C)c1sc2c(c1)CCC2	PC-id_107516227	280.333	JSTAEXABQQRJNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044082
s1c2c(CCC2)cc1C(O)c1cc(c(F)cc1F)C	PC-id_79730850	280.333	GNNHRKRWHIHROR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044083
s1c2c(CCC2)cc1C(O)c1c(F)cc(c(F)c1)C	PC-id_80118373	280.333	QWAPKALCNMFLLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044084
s1c2c(CCC2)cc1C(O)Cc1cc(F)c(F)cc1	PC-id_80384165	280.333	IACKHIVJJWDYAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044085
s1c2c(CCC2)cc1C(O)Cc1c(F)cccc1F	PC-id_80383846	280.333	SMDGEJOFPYWSPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044086
s1c2c(CCC2)cc1C(O)Cc1c(F)cc(F)cc1	PC-id_80390173	280.333	PBXSEBVKWWUZDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044087
s1c2c(CCC2)cc1C(O)Cc1c(F)c(F)ccc1	PC-id_80126714	280.333	STDSUHMKVGRYQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044088
Cc1c2C(CCn2c(=S)[nH]1)Cc1cc(cc(c1)F)F	SCHEMBL20002666,PC-id_134374087	280.336	JJCMKBQPXHXVHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044089
CNC(c1sc2c(n1)CCC2)c1cc(F)cc(c1)F	PC-id_106531763	280.336	GYBHHMHNAXKFPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044090
Fc1c(CNCc2sc3c(n2)CCC3)cccc1F	EMOLS-id_318342003,MCULE-9159962312	280.336	TVXAKBQIORXJJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044091
FC(c1ccc(cc1)C(c1sc2c(n1)CCC2)N)F	PC-id_115524800	280.336	URKPFFNJIDLDHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044092
FC(c1cccc(c1)C(c1sc2c(n1)CCC2)N)F	PC-id_115527555	280.336	JVOLFVIVJRWSAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044093
NNC(c1ccc(cc1F)F)c1sc2c(c1)CCC2	PC-id_105303187	280.336	OSEQEBAIICSCNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044094
NNC(c1cccc(c1F)F)c1sc2c(c1)CCC2	PC-id_105309321	280.336	MQGXRXBVSALCRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044095
NNC(c1ccc(c(c1)F)F)c1sc2c(c1)CCC2	PC-id_113701638	280.336	UCTULGFTVOPKRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044096
NNC(c1cc(F)ccc1F)c1sc2c(c1)CCC2	PC-id_113701417	280.336	VILYMBGNOXMORK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044097
NNC(c1c(F)cccc1F)c1sc2c(c1)CCC2	PC-id_105308067	280.336	MGCHAUWVIYFWIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044098
NNC(c1sc2c(c1)CCC2)c1cc(F)cc(c1)F	PC-id_105301824	280.336	BXCXXKWHZKJZKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044099
s1c2CCCc2nc1C(NC)c1cc(F)c(F)cc1	PC-id_61330774	280.336	TZSFCCXQUFKDAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044100
s1c2CCCc2nc1C(NC)c1c(F)cccc1F	PC-id_61330773	280.336	ZQNOTJZCERGFSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044101
s1c2CCCc2nc1C(NC)c1c(F)ccc(F)c1	PC-id_61332537	280.336	NLDHSNJAYCQOIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044102
s1c2CCCc2nc1C(NC)c1c(F)cc(F)cc1	PC-id_61332154	280.336	UJDDSZHNXOQLNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044103
s1c2CCCc2nc1C(NC)c1c(F)c(F)ccc1	PC-id_63667588	280.336	QGWOVZNDAKHTLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044104
o1c2C(N([O])C(c2cc1C(=O)OCCCC)(C)C)(C)C	PC-id_21860652	280.339	BASPRRWBYJAZLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044105
FC1CCN(C1)CCC(=O)NCc1cnc2n1CCC2	EMOLS-id_319430167	280.341	BPXXHJDHGJHKRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044106
FC1CCN(C1)CCC(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319843867	280.341	ONTDGNJCCPTOLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044107
O=C(N1CCCC(C1)(C)F)NC1CC(n2c1ncc2)C	EMOLS-id_101422995	280.341	GQIMYKMTPIVQEP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044108
O=C(NC1CC(n2c1ncc2)C)N[C@@H]1CCCC[C@H]1F	EMOLS-id_101703647	280.341	FVVFPRXUVKCINJ-BFUDSRACSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044109
c12CN(Cc1sc(OC)c2C#N)C(=O)OC(C)(C)C	MCULE-8472687653,EMOLS-id_331067170	280.343	YYYMTRVUHFAIIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044110
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)N	BindingDB-id_79777,MCULE-1307353127,EMOLS-id_2041314,BindingDB_PC-id_2970466,PC-id_2970466,CHEMBL1427588,TIMTEC423010	280.343	RFMLAKZJWGLPEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044111
c
(=N/C(=O)C2CC(=O)OC2(C)C)/sc2c(CCC2)[nH]1	PC-id_75464547,EMOLS-id_48565356,STOCK7S-41679,MCULE-8664328883,EMOLS-id_50401709	280.343	CGCYJSADUMCOCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044112
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N1CCCC1	EMOLS-id_4739914,MCULE-8415190347,PC-id_8056837,STOCK6S-10190,ZINC22_6719529	280.343	NXXVSTRQTKAJKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044113
CC1CCCN1C(=O)c1c2CSCn2c(c1)C(=O)O	PC-id_89726917,SCHEMBL17800156	280.343	UNUBXXQFGOIESG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044114
CC1CCCN1C(=O)c1cc(c2n1CCS2)C(=O)O	SCHEMBL15157814,PC-id_89726975	280.343	JOPZTUXOJMVRLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044115
CC1(C)OC(=O)C[C@@H]1C(=O)Nc1nc2c(s1)CCC2	PC-id_97426035,ZINC22_96117198	280.343	CGCYJSADUMCOCH-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044116
CC1(C)OC(=O)C[C@H]1C(=O)Nc1nc2c(s1)CCC2	ZINC22_96117197,PC-id_97426034	280.343	CGCYJSADUMCOCH-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044117
C[C@H]1CCCN1C(=O)c1cc(c2n1CCS2)C(=O)O	SCHEMBL15157812	280.343	JOPZTUXOJMVRLX-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044118
C[C@H]1CCCN1C(=O)c1cc(n2c1CSC2)C(=O)O	SCHEMBL15157733	280.343	UNUBXXQFGOIESG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044119
CC(OC(=O)c1c(C)cn2c1SC/C/2=CC(=O)N)C	SCHEMBL9038209,PC-id_19903335	280.343	CJBJEYVMWUKHSF-RUDMXATFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044120
CCOC(=O)c1c(C)cn2c1SCC2=CC(=O)NC	SCHEMBL9039736,PC-id_67755910	280.343	QIMDRKOZMDTJPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044121
CCOC(=O)C=C1CSc2n1cc(c2C(=O)NC)C	PC-id_139819473	280.343	FYLAGJLXOBCCCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044122
NCc1n(nc2c1CN(C2)C(=O)OC(C)(C)C)C(C)C	PC-id_105521847	280.366	ULDIRYJEQANOEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044189
CNC(=O)/C=C/1CSc2n1ccc2C(=O)OC(C)C	PC-id_19903344,SCHEMBL9040714	280.343	BDHKXARAPJBCBD-RMKNXTFCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044123
COCCOCC(=O)Nc1c(C#N)c2c(CCC2)s1	MCULE-5689996858,PC-id_103606668,EMOLS-id_322627140	280.343	ODCZCSVALSOXMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044124
NC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	PC-id_2225114,ZINC22_2872495,CoCoCo_540649	280.343	RFMLAKZJWGLPEF-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044125
NC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	PC-id_7126550,ZINC22_4195956,CoCoCo_540650	280.343	RFMLAKZJWGLPEF-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044126
NC(=O)[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)CCO1	PC-id_95097395,ZINC22_65174993	280.343	FQGVYOBWVQUOMV-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-044127
NC(=O)[C@H]1CN(C(=O)c2cc3c(s2)CCC3)CCO1	ZINC22_84338878,PC-id_97010557	280.343	FQGVYOBWVQUOMV-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044128
O=C(C1CCCC1C(=O)O)Nc1sc2c(n1)CCC2	PC-id_103978597	280.343	OVOKTXLUOKHEHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044129
O=C(C1CCC(C1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_113829331	280.343	MLNIQQRSKGKKJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044130
O=C(c1sc2c(c1)CCC2)N1CCOC(C1)C(=O)N	EMOLS-id_44506006,PC-id_71935003,MCULE-7324413067	280.343	FQGVYOBWVQUOMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044131
O=C([C@@H]1CCC[C@@H]1C(=O)O)Nc1sc2c(n1)CCC2	PC-id_105637105	280.343	OVOKTXLUOKHEHB-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044132
O=C([C@@H]1CC[C@@H](C1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_105637107	280.343	MLNIQQRSKGKKJZ-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044133
O=C([C@H]1[C@H](C1(C)C)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_114092133	280.343	YTSZJNLLQVYFQD-BDAKNGLRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044134
O[C@@H]1C[C@@](C1)(NC(=O)c1sc2c(c1)CCC2)C(=O)N	EMOLS-id_319416428	280.343	HPSYNNKCAHEBIA-KTLJEJPDSA-N	00001010100000000000000010000000000000000000000000000000	25-01-044135
O=C(N1CCC(C1)(N)C(=O)O)c1sc2c(c1)CCC2	PC-id_107322909	280.343	LSUBSFIMLVFYAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044136
O=C(Nc1sc2c(c1C(=O)O)CCC2)NC1CCC1	PC-id_116653699	280.343	BETJKVHIFSXQNB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-044137
OC(=O)N1Cc2c(C1)c(sc2)C(=O)N1CCCCC1	SCHEMBL9242411,PC-id_67804047	280.343	SSNQGWMDUYSQBV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-044138
s1c2c(CCC2)cc1C(=O)N1C(CNCC1)C(=O)O	PC-id_65631154	280.343	HXQDGICMRDCBER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044139
s1c2CCCc2cc1C(=O)NNC(=O)C1OCCC1	PC-id_43006968	280.343	BXLNKKMZFOBEGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044140
s1c2c(CCC2)c(c1NC(=O)C1CNC1)C(=O)OC	PC-id_65966908	280.343	NISSQAGBRKBOOA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-044141
s1c2c(CCC2)c(c1NC(=O)C1(N)CC1)C(=O)OC	PC-id_65464498	280.343	HWTDAKHPNYDFOA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-044142
S1c2n(C(=C(C)C(=O)N)C1)cc(c2C(=O)OCC)C	PC-id_57157391	280.343	HNWXORMOQSCAQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044143
S1c2n(C(=C(C)C(=O)N)C1)ccc2C(=O)OC(C)C	PC-id_57299248	280.343	AGMHKEGLMCTAKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044144
S1c2n(C(=CC(=O)N)C1)cc(c2C(=O)OC(C)C)C	PC-id_57153370	280.343	CJBJEYVMWUKHSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044145
S1c2n(/C(=C/C(=O)NC)/C1)cc(c2C(=O)OCC)C	PC-id_19903372	280.343	QIMDRKOZMDTJPT-WEVVVXLNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044146
S1c2n(C(=CC(=O)NC)C1)ccc2C(=O)OC(C)C	PC-id_67756234	280.343	BDHKXARAPJBCBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044147
s1c(NC(=O)C2C(C2C(=O)O)(C)C)nc2c1CCC2	PC-id_64836757	280.343	YTSZJNLLQVYFQD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044148
c1(NC(=O)C2CC(=O)N(C)C2)n(C)nc2CSCc12	MCULE-4059905160,EMOLS-id_188946814,STOCK7S-68750	280.346	BFODTSXBHWCRRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044149
CN1C[C@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O	ZINC22_604419499	280.346	BFODTSXBHWCRRD-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044150
CN1C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O	ZINC22_604419500	280.346	BFODTSXBHWCRRD-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044151
Cn1nc(c2c1CN(C2)S(=O)(=O)C)Cn1cccc1	PC-id_97413565	280.346	JETDEOFZJUWZCS-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-044152
N#CC1(CC1(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99621030	280.346	SWEHDQQLWDNWAX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044153
N#CC1(CCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101951352	280.346	ATVVAGDAWMJYBW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044154
N#CC1(CCC1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100474808	280.346	IFJLVYKAWKNJKA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044155
N#CC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188525	280.346	YSIYUZAHGIBQIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044156
O=C1NCCN(C1)CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_97923760	280.346	ZFZXTOJVZXWDHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044157
N#Cc1cccc(c1NCc1sc2c(n1)CCC2)C#N	MCULE-1835715257,EMOLS-id_318738463	280.348	WEPXHARSDZOQQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044158
o1c2c(CN(C2)C(=O)OC(C)(C)C)c(c1C(C)C)CN	PC-id_84811918	280.363	JDIYRISXZXGVBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044159
s1c2c(CCC2)c(c1NC(=O)C(CC)CC)C(=O)[O-]	PC-id_2080991	280.363	URHNXJISIWKBJE-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-044160
s1c2c(CCC2)c(c1NC(=O)CCCCC)C(=O)[O-]	PC-id_8272689	280.363	QBAQWJOZZPJDOP-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-044161
s1c2c(CCC2)c(c1NC(=O)CC(C)(C)C)C(=O)[O-]	PC-id_8273988	280.363	DESQATDGDJREEN-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-044162
CC1CCc2c1c(C=O)nn2Cc1cccc(c1)C1CC1	EMOLS-id_331004919,MCULE-5848691474	280.364	DIOATWJLFQMGIT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044163
CC1CCc2c1c(C=O)nn2Cc1ccccc1C1CC1	EMOLS-id_331005686,MCULE-1748295085	280.364	PELUGAMVFBQYLY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044164
CC1CCc2nn(Cc3ccccc3C3CC3)c(C=O)c12	MCULE-1054505583,EMOLS-id_330989489	280.364	RSZBUSNJLWVLSP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044165
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(C=O)c12	MCULE-4014731299,EMOLS-id_330988722	280.364	BSWAPKQAERXTHC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044166
C[C@]1(NC(=O)c2cc3c([nH]2)CCC3)C[C@@H]1c1ccccc1	PC-id_146095505,MCULE-7633820161,ZINC22_1875316634,EMOLS-id_324028213	280.364	DCSOTZVIZHYEJY-KDOFPFPSSA-N	00100010100000110000100010000000000000000000000000000000	25-01-044167
C=CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328212594,MCULE-4094404051	280.364	QXAZBRQCPIGEEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044168
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CC1	MCULE-9641046148,EMOLS-id_328212599	280.364	SCARHOGNHBJEAD-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-044169
c12CN(Cc1nn(CC)c2CNC)C(=O)OC(C)(C)C	EMOLS-id_324350819,MCULE-9926332881	280.366	JAAKBUUDWSCLFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044170
c12CN(Cc1nn(C(C)(C)C)c2CN(C)C)C(=O)OC	MCULE-3785206987,EMOLS-id_324351590	280.366	QMOYWLBBLZPHHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044171
c12CN(Cc1nn(CC(C)C)c2N)C(=O)OC(C)(C)C	MCULE-4882206407,EMOLS-id_324338022,PC-id_105521848	280.366	FEUPQSONBRBKQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044172
Cc1c2n(CCO2)nc1C(=O)NCC(C)(C)CN(C)C	PC-id_91959983	280.366	LPEKIJWHNDLVEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044173
Cc1c2n(CCO2)nc1C(=O)NC(C)CCCN(C)C	PC-id_91959988	280.366	OUGQUODPVZDUBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044174
CCC1(CC)N(Cc2c(N)n[nH]c12)C(=O)OC(C)(C)C	EMOLS-id_81803779,PC-id_45489937,MCULE-8467365019	280.366	AZHNHOGJYUYRTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044175
CCCC(CCC)CCN1CCn2c1c(cn2)[N+](=O)[O-]	SCHEMBL15171028,PC-id_89737270	280.366	KCQHEXNITFCYLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044176
CC(C)(C)OC(=O)NCC(CN)c1n[nH]c2CCCc12	MCULE-7656772944,EMOLS-id_313950824	280.366	GQIINAZQJHIMDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044177
CC(C)(C)OC(=O)NC(CN)Cc1n[nH]c2CCCc12	EMOLS-id_313953639,MCULE-6134171575	280.366	DIDDGUSOMPHFSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044178
CC(C)(C)OC(=O)NCC(N)Cc1n[nH]c2CCCc12	EMOLS-id_313954151,MCULE-5322991458	280.366	YDVFYYAUJLTMKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044179
CC(Cn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)N)C	PC-id_105521839	280.366	QAXPGUPUVLPGHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044180
CCn1nc2c(c1N)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL11913270,PC-id_68164447	280.366	PQYOYXUSZKHTPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044181
CCN(CC)CCCNC(=O)c1nn2CCOc2c1C	PC-id_91959966	280.366	JZDBNGVQZCZVRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044182
CCOC1CC(C1OC)NC(c1nnc2n1CCC2)C	PC-id_104009723	280.366	UCUIZELQGUFKKD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044183
CN(Cc1nnc2n1CCC2)CCOCC1CCCO1	MCULE-1939591111,EMOLS-id_43407317,PC-id_72103170	280.366	IZZJJZVBNUQPSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044184
CN(CCOC[C@@H]1CCCO1)Cc1nnc2n1CCC2	PC-id_95974251,ZINC22_75106315	280.366	IZZJJZVBNUQPSL-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044185
CN(CCOC[C@H]1CCCO1)Cc1nnc2n1CCC2	PC-id_95974252,ZINC22_75106316	280.366	IZZJJZVBNUQPSL-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044186
COc1nscc1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318938378	280.366	FKYHAECOBBQPOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044187
NCc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(C)C	PC-id_105521838	280.366	RXRKGFPLRRDGKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044188
O=C(N1Cc2c(C1)c(nn2C(C)(C)C)N)OC(C)(C)C	PC-id_105521837	280.366	RODYVKNTCWJMMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044190
O=C(N1Cc2c(C1)c(n(n2)C(C)(C)C)N)OC(C)(C)C	PC-id_105521846	280.366	LWIUAVKICFADGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044191
OC(=O)C1CCc2c1nc(s2)Cc1csc(n1)C	PC-id_113395621	280.366	HXPPGVVHQADJRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044192
OC(=O)C1CCc2c1nc(s2)Cc1scc(n1)C	PC-id_104287273	280.366	SYBKRFIXDPGGCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044193
OC(=O)C1CCc2c1nc(s2)NCc1cccs1	PC-id_104287790	280.366	YGQLRMPHLPHFSE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-044194
OC(=O)C1CCc2c1nc(s2)NCc1cscc1	PC-id_104288669	280.366	IBTQOBWBSHHPGN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-044195
O(C(=O)N1Cc2[nH]c(nc2C1)C(N)C(C)C)C(C)(C)C	PC-id_83949400	280.366	YGXQOEZHTPHSSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044196
O(C(=O)N1C(C(C)(C)C)c2[nH]nc(N)c2C1)C(C)(C)C	PC-id_72210920	280.366	MTCZZTOFHXUXOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044197
O=S(=O)(c1ccccc1)Nc1sc2c(CCC2)n1	PC-id_4162121,MCULE-5385970584,ZINC22_6316392,EMOLS-id_36258500	280.366	TVTGSYIJQZHFKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044198
s1c2CCCc2c(c1NC(=O)CSC(=O)C)C#N	PC-id_16949120	280.366	YZPUROQFMCTFKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044199
S(=O)(=O)(c1ccccc1)Nc1snc2CCCc12	MCULE-9076762251,PC-id_54774499	280.366	BMWOASGVBYIRBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044200
N#Cc1ccc(cc1)C(NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318537495,MCULE-8036404643	280.368	YLSZWJUGQLLUMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044201
N#Cc1cccc(c1)C(NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318755369,MCULE-5270179137	280.368	BYRDBDJOCUCMBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044202
CCOCCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020165	280.369	WXWURRRPIPMOCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044203
CCOCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020647	280.369	QXVJFSCBMGJWBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044204
CN=C(NCc1nnc2n1CCC2)NCC(OC)(C)C	PC-id_111605593	280.369	DZTUVKLZKVHZFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044205
COCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_110976465	280.369	CUFYFAKTTVYDTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044206
COCC(NC(=NCc1nnc2n1CCC2)NCC)C	PC-id_111235315	280.369	VNLDMVYNLCVVJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044207
Nc1sc(c(n1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_62793636,EMOLS-id_314657280	280.369	FIFAGOBQTFPZGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044208
NCc1scc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_66377489,EMOLS-id_315423519	280.369	QWDPIZDMUOOOQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044209
s1c2CCCc2nc1NC(=O)Cc1nc(sc1)N	PC-id_62799470	280.369	ISDRSLBDAPFVFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044210
c1(C(=O)OCC)c2CSCc2nn1CC1CCCC1	MCULE-2864311322,EMOLS-id_324395355	280.386	RWCNXQMYIXCXAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044211
c1(C(=O)OC(C)(C)C)c2CSCc2nn1CC1CC1	MCULE-3208740046,EMOLS-id_324397403	280.386	UJNCJYGOFKYABS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044212
c1(NC(=O)C(CC)CC)sc2c(CCC2)c1C(=O)N	SCHEMBL8289513,MCULE-3730231896,EMOLS-id_181348252,PC-id_60001305	280.386	JWPHETZEXPWJAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044213
c1(NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-9107714379,EMOLS-id_334331090	280.386	HVQHSSDMOVDWCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044214
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)NC	PC-id_7475024,MCULE-5848757757,EMOLS-id_334335697	280.386	CYEXEWIVOYBCHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044215
c1(NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)NC	ZINC22_5055726,PC-id_7475025,CoCoCo_2590285,MCULE-5834092300,EMOLS-id_13439881	280.386	SYRGDYMVYXADJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044216
CC1CCC(C1C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288967	280.386	QYQINZZKXLHZIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044217
CC1CCC(C1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_107415785	280.386	FSTINXQXHNXZPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044218
CC1CCCC1CNc1nc2c(s1)CCC2C(=O)O	PC-id_107421114	280.386	MSWDKOUZFDXIMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044219
CC1CCC(CC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287660	280.386	RCRFHUKLUJPCOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044220
CC1CCCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_113395661	280.386	BTGFEZDELPYORY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044221
CC1CCCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_113395697	280.386	VDWCHQBOVYBRJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044222
CC1(CCCO1)C(=O)NCCc1nc2CCCc2s1	MCULE-1866166191,PC-id_119068664,EMOLS-id_82726901	280.386	IWWUBPSCINLUQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044223
C[C@@]1(C(=O)NCCc2nc3c(s2)CCC3)CCCO1	ZINC22_426549132	280.386	IWWUBPSCINLUQB-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044224
C[C@]1(C(=O)NCCc2nc3c(s2)CCC3)CCCO1	ZINC22_426549133	280.386	IWWUBPSCINLUQB-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044225
CCC1(CCC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105769428	280.386	UBXCFOZKCJFAJU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044226
CCC1CCc2c1c(c(s2)N)C(=O)N1CCOCC1	PC-id_116176043	280.386	SIOAQTLXISUGLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044227
CC(C1CCCC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_113395791	280.386	FKWKLLNSOWRACF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044228
CC(C1CCOCC1)NC(=O)c1sc2c(n1)CCC2	EMOLS-id_316914562,MCULE-5734570706	280.386	SJTVBVNODPDCPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044229
CCCC1(CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105713427	280.386	CQJVJCAKKSKSHP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044230
CCCCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_43416155,MCULE-8628102198,CoCoCo_3218604,ZINC22_6048799,SCHEMBL8288672,PC-id_3324575	280.386	SCRQSPXYMOXFMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044231
CCCCCC(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_32150344,CoCoCo_4657322,MCULE-9419864551,EMOLS-id_18850221	280.386	IHUMWQJCOZFOII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044232
CCCC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	SCHEMBL8289503,PC-id_60001372	280.386	FBRWLRHUSHNILJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044233
CCCCN(c1nc2c(s1)CCC2C(=O)O)C1CC1	PC-id_113395729	280.386	ZVPNENOOPYYCHA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044234
CCCCN(C(=O)c1sc2c(c1)CCC2)CC(=O)N	PC-id_86989038	280.386	ABTPGNQBRKQOGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044235
CC(C)C(=O)c1cc2c(s1)CCN2C(=O)CN(C)C	PC-id_134689216	280.386	VJDNMABSLFKEON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044236
CC(CN(c1nc2c(s1)CCC2C(=O)O)C1CC1)C	PC-id_104288185	280.386	WTDOVJKIZPCTDH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044237
CCCN(c1nc2c(s1)CCC2C(=O)O)CC1CC1	PC-id_104288161	280.386	CROXSCOSGMJGQJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044238
CCC(Nc1nc2c(s1)CCC2C(=O)O)CC1CC1	PC-id_113395790	280.386	MPHBKMIXESNQBQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044239
C[C@@H](NC(=O)c1nc2c(s1)CCC2)C1CCOCC1	ZINC22_334836468	280.386	SJTVBVNODPDCPV-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044240
C[C@H](NC(=O)c1nc2c(s1)CCC2)C1CCOCC1	ZINC22_334836470	280.386	SJTVBVNODPDCPV-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-044241
CCN(c1nc2c(s1)CCC2C(=O)O)C1CCCC1	PC-id_104287919	280.386	JGYJUUZZPODCBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044242
CCN(c1nc2c(s1)CCC2C(=O)O)CC1CCC1	PC-id_113954979	280.386	QAKVLBMKUTXTAM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044243
CCOC(=O)C1CCc2c1nc(s2)N(C1CC1)CC	PC-id_104287836	280.386	BFYVEUJOJFMQAS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044244
CCOC(=O)C1CCc2c1nc(s2)NC1CC1(C)C	PC-id_104288183	280.386	VHUBSEJFKVCLPS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044245
CCOC(=O)C1CCc2c1nc(s2)NC1CC1CC	PC-id_105769458	280.386	KNFVBZOAQVDEAE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044246
CCOC(=O)C1CCc2c1nc(s2)NC1CC(C1)C	PC-id_116048266	280.386	MJAUPNFMXQYELN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044247
CCOC(=O)C1CCc2c1nc(s2)N(C1CCC1)C	PC-id_116356862	280.386	BXMYNMDOISTVTM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044248
CCOC(=O)C1CCc2c1nc(s2)NC1CCCC1	PC-id_113395651	280.386	RHQAGIYQKVEZJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044249
CCOC(=O)C1CCc2c1nc(s2)NC1(C)CCC1	PC-id_113486230	280.386	ZDBFCBSAYBOXJL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044250
CCOC(=O)C1CCc2c1nc(s2)NC(C1CC1)C	PC-id_104287912	280.386	QIBLELZUQFCWNB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044251
CCOC(=O)C1CCc2c1nc(s2)N(CC1CC1)C	PC-id_104288066	280.386	IDTSDVLAZMXDKV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044252
CCOC(=O)C1CCc2c1nc(s2)NCC1CC1C	PC-id_116021992	280.386	NPEGNQYRMSSHDE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044253
CCOC(=O)C1CCc2c1nc(s2)NCC1CCC1	PC-id_104287864	280.386	OHCKYIGYCACKFD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044254
CCOC(=O)C1CCc2c1nc(s2)NCC1(C)CC1	PC-id_105713369	280.386	ALCOUYYRMSYXGB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044255
CCOC(=O)C1CCc2c1nc(s2)NCCC1CC1	PC-id_113395809	280.386	CRZSUWRTUUZVHR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044256
CN1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956547	280.386	HRJADEJFVFSTEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044257
CN(C)[C@@H]1CN(C[C@H]1O)C(=O)c1cc2CCCc2s1	PC-id_110107972,BDE-32162427,EMOLS-id_249421,MCULE-9804721266,ZINC22_257226795	280.386	FMFSKTGNYQTEMT-GHMZBOCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044258
NCC1OCCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_101353891	280.386	YRORWONEMCHXIG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044259
O=C(C1CCCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181743	280.386	CQPZGLGMNOCXQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044260
O=C(C1CCCOC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180252	280.386	IQTNUNOAHWWQCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044261
O=C(c1sc2c(c1)CCC2)NCC1OCCCNC1	EMOLS-id_101202258	280.386	NCBJOCACPFSSSD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044262
O=C(CC(C)(C)C)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8288772,PC-id_60001322	280.386	AAOAQGAVPUNOHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044263
O=C(COC1(C)CNC1)NCc1sc2c(c1)CCC2	PC-id_102611504	280.386	XNJGIZPOYJWGGN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-044264
OC(=O)C1CCc2c1nc(s2)NC1C(C1(C)C)(C)C	PC-id_104289061	280.386	BBAOFSXZZHBFQY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044265
OC(=O)C1CCc2c1nc(s2)NC1CCCC1(C)C	PC-id_104289058	280.386	OHSPQBPBMPRBIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044266
OC(=O)C1CCc2c1nc(s2)NC1CCC(C1)(C)C	PC-id_113598552	280.386	UVYIVKLAFYKGIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044267
OC(=O)C1CCc2c1nc(s2)N(C1CCCCC1)C	PC-id_104287707	280.386	RPKHKRHNROKWBB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044268
OC(=O)C1CCc2c1nc(s2)NC1CCCCCC1	PC-id_104287784	280.386	AIGKJFAKLNCNOP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044269
OC(=O)C1CCc2c1nc(s2)NC1(C)CCCCC1	PC-id_113395739	280.386	VAHTUTAXMOTYTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044270
OC(=O)C1CCc2c1nc(s2)NCC1(CC1)C(C)C	PC-id_105805153	280.386	TYRGVVVSWOESCB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044271
OC(=O)C1CCc2c1nc(s2)N(CC1CCCC1)C	PC-id_113395781	280.386	DCVQIWNCUHHOOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044272
OC(=O)C1CCc2c1nc(s2)NCC1CCCCC1	PC-id_104287868	280.386	RTQUJCIMWPXVRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044273
OC(=O)C1CCc2c1nc(s2)NCC1(C)CCCC1	PC-id_104288716	280.386	CIXNEDQDPLZCHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044274
OC(=O)C1CCc2c1nc(s2)NCCC1CCCC1	PC-id_104288049	280.386	SXFFBFQEUCCSJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044275
OC(=O)C1CCc2c1nc(s2)N(C(C)C)CC1CC1	PC-id_104288457	280.386	BAZOFMOWPMEDJP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044276
s1c2c(CCC2)cc1CNCC(=O)N1CCOCC1	PC-id_61206878	280.386	CDEWKKDCHZRDSJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044277
s1c2c(CCC2)cc1CNC(=O)C1C(NC)COC1	PC-id_66267219	280.386	WYTWCVHFNWIUOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044278
s1c2c(CCC2)cc1CNC(=O)C1(C(N)COC1)C	PC-id_66250658	280.386	OJFQDAXBUVAJMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044279
s1c2c(CCC2)cc1CNC(=O)C1NCC(OC)C1	PC-id_61214524	280.386	KHUIFGCZMHBLRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044280
s1c2c(CCC2)cc1CNC(=O)C1OC(CC1)CN	PC-id_80010363	280.386	NSUACUWRBLOVRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044281
s1c2c(CCC2)cc1CNC(=O)CC1NCCOC1	PC-id_80421977	280.386	KEMMPWZAECBRLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044282
s1c2c(CCC2)cc1CNC(=O)CC1OCCNC1	PC-id_66427455	280.386	LLTATEBWSKMAFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044283
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CCO	PC-id_43390918	280.386	MFHLIUZZVPTGGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044284
s1c2c(CCC2)cc1C(=O)N1CC(OCC1)C(N)C	PC-id_81483909	280.386	KEOLKDKRNLOABL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044285
s1c2c(CCC2)cc1C(=O)N1CC(OCC1)CNC	PC-id_81688949	280.386	UFZSLUNFXVKXQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044286
s1c2c(CCC2)cc1C(=O)N(CC1OCCNC1)C	PC-id_81688312	280.386	NUTSDYKWUISMOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044287
s1c2c(CCC2)cc1C(=O)NC(C(CC)C)C(=O)N	PC-id_78790495	280.386	QYDYKGZQLJNQMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044288
s1c2CCCc2cc1C(=O)NCCN1CCOCC1	PC-id_47110217	280.386	RNSAVARAPAISGS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044289
s1c2CCCc2cc1C(=O)N(CC(=O)NCC)CC	PC-id_47020083	280.386	YFFHOLQXGQVDPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044290
s1c2CCCc2cc1C(=O)NC(C(=O)NCCC)C	PC-id_47113129	280.386	QVNRDTCTGXWSPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044291
s1c2CCCc2cc1C(=O)NCC(=O)NC(C)(C)C	PC-id_8132572	280.386	GVDQWNYVWNKDBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044292
s1c2CCCc2cc1C(=O)N(CC(=O)NC(C)C)C	PC-id_9475781	280.386	CYSZPCZNROYETP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044293
s1c2CCCc2cc1C(=O)N[C@@H](C(=O)NCCC)C	PC-id_9227705	280.386	QVNRDTCTGXWSPX-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044294
s1c2CCCc2cc1C(=O)N[C@H](C(=O)NCCC)C	PC-id_9227706	280.386	QVNRDTCTGXWSPX-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-044295
s1c2CCCc2cc1C(=O)NNC(=O)CCC(C)C	PC-id_35825588	280.386	LXXDSVQHRMLINZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044296
s1c2CCCc2cc1C(=O)NNC(=O)CC(C)(C)C	PC-id_51186053	280.386	HLZQVCFKPCXPRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044297
s1c2c(C(CC2)(C)C)c(c1N)C(=O)N1CCOCC1	PC-id_79864561	280.386	LGWJCYRFCNRLKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044298
s1c2C(OC(c2c(C(=O)NC2CC2)c1N)(C)C)(C)C	PC-id_79916556	280.386	KAMMGOAIFRTZCA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-044299
S1Cc2c(onc2C1)NC(=O)CCC1CCCCC1	PC-id_49719025	280.386	RJBKINFLIKLQAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044300
s1c(C(=O)NC2C(N)CC2OCC)cc2CCCc12	PC-id_66196840	280.386	PENXOJXZUHXDCB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-044301
c12CN(Cc1sc(N)n2)CC(=O)N1CCCCCC1	MCULE-6287153363,PC-id_82194276	280.389	CFTMIRHDCFBRNN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044302
c1(NC(=O)CCC2CCCCC2)nnc2SCCn12	MCULE-8911325085,ZINC22_16890271,CoCoCo_2590465,PC-id_22582936,EMOLS-id_16349349	280.389	UVPFWJCKEJKCCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044303
CC1CSCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417007	280.389	WFZLEMUSLXUZDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044304
CC1SCC(C1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101702309	280.389	CXCXKLNJHNFIRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044305
CSC1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572875	280.389	QCXNPESKEHEOLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044306
CSC1(CNC(=O)NC2CC(n3c2ncc3)C)CC1	EMOLS-id_101369059	280.389	FTSBTALJXCYLJW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044307
Nc1c(=O)n2n(c1NCC[N+]1(C)CCCCC1)CCC2	SCHEMBL13746274,PC-id_70985829	280.389	HPTVVRKAKIVUKD-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-044308
O=c1n2CCCn2c(c1N)NCCC[N+]1(C)CCCC1	PC-id_70985586,SCHEMBL13745297	280.389	ARDOQOCBBMIAML-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-044309
O=C(c1cn2c(n1)CCC2)NCCC1CSCCN1	EMOLS-id_319191815	280.389	GHAKWIFEDQGCQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044310
O=C(c1cnn2c1CCC2)NCCC1CSCCN1	EMOLS-id_319393716	280.389	QLXOWJXFDPYWPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044311
O=C(CN1CCNC[C@H]1C)Nc1sc2c(n1)CCC2	PC-id_120089890	280.389	SCYGJIPXLPKVLG-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044312
O=C(CN1CCNC[C@@H]1C)Nc1sc2c(n1)CCC2	PC-id_120091656	280.389	SCYGJIPXLPKVLG-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-044313
O=C(N1CCSCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101436672	280.389	CBFLTJFACGGMRX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044314
O=C(NC1CC(n2c1ncc2)C)NC1CCCSC1	EMOLS-id_101418633	280.389	YAHIHYJPRIGOBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044315
O=C(NC1CC(n2c1ncc2)C)NC1CSC1(C)C	EMOLS-id_101369233	280.389	VVFTWGJKEIJCIK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044316
O=C(Nc1n(C)nc2c1CCC2)CC1CSCCN1	EMOLS-id_302197782,MCULE-9324680725,PC-id_119940603	280.389	QBLTUEARHBSJNU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044317
s1c2CCCc2nc1NC(=O)CN1CCCNCC1	PC-id_62833103	280.389	VPMJKQQDLAQUPS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044318
s1c2CCCc2nc1NC(=O)CN1CCC(N)CC1	PC-id_79328028	280.389	YTXWNIIECCAUJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044319
s1c2CCCc2nc1NC(=O)C(N1CCNCC1)C	PC-id_61511868	280.389	LGXJGNBIDNPLRW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044320
s1c2CN(CC(=O)N3CCC(CC3)C)Cc2nc1N	PC-id_82194290	280.389	BGHIAJHMQWCUTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044321
s1c2CN(CC(=O)NC3CCCCC3)Cc2nc1N	PC-id_82194267	280.389	PMEATDOVZOAUTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044322
[Si](c1oc(OCCCC=C)c2c1COC2=O)(C)(C)C	PC-id_11140504	280.392	DPSHJJSQRZFURU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044323
CC(c1ccc(cc1)C1CCC1)n1cc2C(C)CCc2n1	MCULE-3793601999,EMOLS-id_330998702	280.407	UJWWUDXJLHVDTR-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044324
OC(c1ccsc1)CNCc1sc2c(n1)CCC2	PC-id_109948623	280.409	VAHRSUZMEUMIRD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-044325
s1c2c(CCC2)cc1C(=O)N1C(CCC1)C(=S)N	PC-id_64412315	280.409	OETKUEUNYJWKST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044326
s1c2c(CCC2)cc1C(=O)NC(C1CC1)C(=S)N	PC-id_64419438	280.409	MCEJVEGEIVHNKY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-044327
CCN=C1c2c(sc(c2S(=O)(=O)N1)S)S	PC-id_136444929	280.411	SPMNSEDYQPPCHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044328
Cc1nnsc1CNc1sc2c(n1)C(CC2)(C)C	MCULE-8680943643,EMOLS-id_318425838	280.412	DZZFBAQKFKDULT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044329
Cc1sc(nc1C)NCCc1nc2n(c1)CCS2	MCULE-8546696301,EMOLS-id_318721570	280.412	DDSKEEVDYHHHML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044330
CC(c1nsc(n1)NCc1sc2c(n1)CCC2)C	MCULE-6623184849,EMOLS-id_318617694	280.412	AOFGJESNZRSSDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044331
S(SC1C[n+]2n(C1)ccc2)C1C[n+]2n(C1)ccc2	PC-id_53466401	280.412	VEKJJQHCBGWMFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044332
OC(C1CC(OC1(C)C)(C)C)c1sc2c(c1)CCC2	PC-id_115838781	280.426	KVLBKRVECYZHMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044333
CC(C1CCSCC1)n1nc2CCC(C)c2c1CO	MCULE-7422167533,EMOLS-id_330990779	280.429	WBFCBXGMUMWVHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044334
CCC1(CO)CCN(CC1)Cc1sc2c(n1)CCC2	PC-id_109975077	280.429	ZSAHJGQJQZSFNM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044335
CC(c1sc2c(n1)CCC2)NCC1(O)CCCCC1	PC-id_109908748	280.429	TXHQVUZNUMMBCF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044336
CC(CC1NCCOC1)NCc1sc2c(c1)CCC2	PC-id_116008873	280.429	ADFCCULULRHQTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044337
CC(C)[C@H]1OCC[C@@H]1CNCc1nc2c(s1)CCC2	ZINC22_93079405,MCULE-5812142276,EMOLS-id_112030103	280.429	XGHRIIFVDAYRDY-IAQYHMDHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044338
CCC(C(=O)NCc1sc2c(c1)CCC2)(CN)CC	PC-id_115432331	280.429	CLEKMZTYCPZPAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044339
CC(CN1CCOCC1)NCc1sc2c(c1)CCC2	PC-id_104407370	280.429	YFZFKNXNGGEFIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044340
CCCNC(c1sc2c(n1)CCC2)(C1CCOC1)C	PC-id_116176788	280.429	VAPJLAYDRMQMRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044341
CC(NC(c1sc2c(n1)CCC2)(C1CCOC1)C)C	PC-id_116176803	280.429	WXNMTYXOHVPLHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044342
CCN(CC)C(=O)c1c(N)sc2c1C(C)CC2(C)C	EMOLS-id_337901355,PC-id_106662929	280.429	XEXGJBRPYNEEKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044343
CN(CC1CCCCC1O)Cc1sc2c(n1)CCC2	PC-id_110011496	280.429	DIPJKBOAKRXPDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044344
COC(CC(c1sc2c(n1)CCC2)NC1CC1)(C)C	PC-id_106676116	280.429	OQQYYWFCVYBDIO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044345
COCCNC(c1sc2c(n1)CCC2)(CC1CC1)C	PC-id_116224340	280.429	MPQCUESZLSHBSQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044346
NC(C(C)C)CCN(C(=O)c1sc2c(c1)CCC2)C	MCULE-1027387893,EMOLS-id_301798733,PC-id_81485027	280.429	CUMFRTWTOOQWEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044347
NCC(NC(=O)c1sc2c(c1)CCC2)(CC(C)C)C	MCULE-4379845123,PC-id_81487534,EMOLS-id_301730894	280.429	HGDGXMHPNLYJLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044348
NNC(c1sc2c(c1)CCC2)CCCC1CCCO1	PC-id_105314075	280.429	CVDDBGMBWAJJBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044349
O1CCN(CC1)CCCNCc1sc2c(c1)CCC2	PC-id_104433769	280.429	UCHYAEBGLQVZAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044350
OC1CCCCC1(C)CNCc1sc2c(n1)CCC2	PC-id_109948690	280.429	VIJSKCZYYVGSKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044351
OC1CCCCC1CNC(c1sc2c(n1)CCC2)C	PC-id_109908782	280.429	CDVKTCUDRAJNJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044352
OC1CCCC(C1)CNC(c1sc2c(n1)CCC2)C	PC-id_109908785	280.429	VBZRDBBTQBVASR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044353
OC1(CCCCCC1)CNCc1sc2c(n1)CCC2	PC-id_109948608	280.429	SEOOQCAOXDNAGX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044354
OCC1CCCCC1NC(c1sc2c(n1)CCC2)C	PC-id_110017280	280.429	ILCBAMJJUIYDMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044355
OCC1(C)CCCC1NC(c1sc2c(n1)CCC2)C	PC-id_110017288	280.429	YGHGSQGRQUKBPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044356
OCC1CCC(CC1)NC(c1sc2c(n1)CCC2)C	PC-id_110017294	280.429	OJAMUVNTESXKEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044357
OCC1CCCCCC1NCc1sc2c(n1)CCC2	PC-id_109948709	280.429	PNFPEELLVZPBRV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044358
OCCN(C1CCCCC1)Cc1sc2c(n1)CCC2	PC-id_109973849	280.429	VBTNSGVICDCPET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044359
s1c2c(CCC2)cc1CNCC1OCCN(C1)CC	PC-id_79164615	280.429	ISKKHYUNANNIMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044360
s1c2c(CCC2)cc1CNCC(O)CN1CCCC1	PC-id_61207238	280.429	QTLLEMVYSIBUKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044361
s1c2c(CCC2)cc1CNC(C(=O)NC(CC)C)C	PC-id_61206872	280.429	FLSPPXNACQAAER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044362
s1c2c(CCC2)cc1CNC(C(=O)NCCCC)C	PC-id_61207054	280.429	ODOPIOPXNGWALC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044363
s1c2c(CCC2)cc1CNC(C(=O)NC(C)(C)C)C	PC-id_61207616	280.429	DFRJTCBWKAZCNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044364
s1c2c(CCC2)cc1CNC(C(=O)N(CC)CC)C	PC-id_61207791	280.429	UJRZFYJSKSTJQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044365
s1c2c(CCC2)cc1CNC(C(=O)NCC(C)C)C	PC-id_61207798	280.429	IJJDMPBZDGGZSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044366
s1c2c(CCC2)cc1CNCC(=O)NC(CC)(C)C	PC-id_61486563	280.429	XLERVJJQHHYQNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044367
s1c2CCCc2cc1CNCC(=O)NC(CC)CC	PC-id_61486875	280.429	MACWSTVOTAETJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044368
s1c2CCCc2cc1CNCC(=O)NCCC(C)C	PC-id_61486893	280.429	ZCXJMFJOGOUDJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044369
s1c2c(CCC2)cc1CNCC(=O)NC(C(C)C)C	PC-id_61489221	280.429	ITMMKHDWQLOIGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044370
s1c2CCCc2cc1CNCC(=O)NC(CCC)C	PC-id_61489843	280.429	WITBKUXQUYGVFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044371
s1c2CCCc2cc1CNC(=O)CCCCCCN	PC-id_61208601	280.429	WIYHQELSYWYENP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044372
s1c2c(CCC2)cc1CNC(=O)C(CC(C)C)CN	PC-id_80112763	280.429	IUNNARGTURRAOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044373
s1c2c(CCC2)cc1CNC(=O)CCC(CCN)C	PC-id_64348356	280.429	SYRUDEQZUPQLAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044374
s1c2CCCc2cc1CNC(=O)CCCNC(C)C	PC-id_61208598	280.429	VRFGPSLIHQPMDT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044375
s1c2CCCc2cc1CNC(=O)CCNC(C)(C)C	PC-id_61208599	280.429	OYIHKJLKIFQXEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044376
s1c2c(CCC2)cc1CNC(=O)C(C(N)(C)C)(C)C	PC-id_65269636	280.429	DPSYVFBPDBRMSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044377
s1c2c(CCC2)cc1CNC(=O)CC(N)C(C)(C)C	PC-id_81985155	280.429	AWGJUUPLBPJMSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044378
s1c2c(CCC2)cc1C(=O)N(CC(CN)(C)C)CC	PC-id_79667581	280.429	NSBZTKXJQUCAEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044379
s1c(nc2c1CCC2)C(NC1CC1)(C(C)C)COC	PC-id_80411176	280.429	KGQVINWXJDXLQL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044380
s1c(nc2c1CCC2)C(NC(C)C)(C1CC1)COC	PC-id_80411199	280.429	WOEKINDCNGIDQE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044381
s1c(nc2c1CCC2)C(NCCC)(C1CC1)COC	PC-id_80411251	280.429	YPSCALNAOAGKHE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044382
s1c(nc2c1CCC2)C(NCCC)C1CCCOC1	PC-id_63740959	280.429	NPXFYGIWNYHZSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044383
s1c(nc2c1CCC2)C(NC(C)C)C1CCCOC1	PC-id_63741491	280.429	ALQYDLKPZZSHDA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044384
s1c(nc2c1CCC2)C(NCCC)C1CCOCC1	PC-id_55065888	280.429	DCWXPOQEVZXIKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044385
s1c(nc2c1CCC2)C(NC(C)C)C1CCOCC1	PC-id_62385437	280.429	BUUPIDROGDOXGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044386
s1c(nc2c1CCC2)C(NC(C)C)C1OC(CC1)C	PC-id_82836846	280.429	JLJJVOSSHATRSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044387
s1c(nc2c1CCC2)C(NCCC)C1OC(CC1)C	PC-id_82837861	280.429	BPLKDYGDGHNPPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044388
s1c(nc2c1CCC2)C(NCCOC)(C1CC1)CC	PC-id_64918898	280.429	DFEQFARERLYZHS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044389
s1c(nc2c1CCC2)C(NCCOC)(C1(CC1)C)C	PC-id_80290398	280.429	MUNLZKFHNPPGPA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044390
s1c(nc2c1CCC2)C(NCCOC)C1CCCC1	PC-id_62542086	280.429	BKVKBYJXMTURJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044391
C1CCC(CC1)CCCCNc1nnc2n1CCS2	BindingDB_PC-id_137652318,PC-id_137652318	280.432	BRDCVYNDQNVJTF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044392
S1CC(CC(NC(c2n3CCCc3nn2)C)C1)(C)C	PC-id_79958709	280.432	XWZISWXWGGTUHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044393
S1CC(NC(c2n3CCCc3nn2)C)C(CC1)(C)C	PC-id_79947855	280.432	IHAFQSMJBCICSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044394
S1CCC(C1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_113921390	280.452	LRSWGBBINSIPTH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044395
CCCCCCCCCC(c1sc2c(c1)CCC2)O	PC-id_115782822	280.469	QNSKKGAIDLHZQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044396
CC(C1c2scnc2C(N1C(C)(C)C)C(C)(C)C)C	PC-id_137410684,SCHEMBL20643739	280.472	IZEYKTUUQZYMSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044397
CCCCC(CC(c1sc2c(c1)CCC2)NN)CC	PC-id_105288305	280.472	MJQHYBOKMGPTFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044398
CCCCCCCCC(c1sc2c(c1)CCC2)NN	PC-id_105294399	280.472	WIZWWQALKUCSFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044399
CCCCCCCCCC(c1sc2c(n1)CCC2)N	PC-id_108410833	280.472	CTXHVQOVCFCSQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044400
CC(N1C(c2c(C1C(C)(C)C)ncs2)C(C)(C)C)C	SCHEMBL13012545,PC-id_59617154	280.472	KUPFDIYLZDOKJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044401
CNC(c1sc2c(n1)CCC2)(CC(C)C)CC(C)C	PC-id_114868551	280.472	MMRMSICHTWSBNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044402
s1c2CCCc2nc1C(NCC)CCCCCCC	PC-id_61331835	280.472	DBGBXGQTJLZFET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044403
s1c2c(nc1C(NCCC)CCCCCC)CCC2	PC-id_61335965	280.472	WUIQWWYSEPAMIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044404
s1c(nc2c1CCC2)C(NC)(CCCCCCC)C	PC-id_61332156	280.472	ZJPZMSLPILGWPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044405
s1c(nc2c1CCC2)C(NCC)(CCCCCC)C	PC-id_61332187	280.472	VRWJUMFHQZFPCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044406
s1c(nc2c1CCC2)C(NCC)(CC(CC)C)CC	PC-id_61332564	280.472	DYFVWGHJMIXBGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044407
s1c(nc2c1CCC2)C(NCCC)(CCC)CCC	PC-id_61334007	280.472	BQVJTYQQDPQSGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044408
s1c(nc2c1CCC2)C(NC(C)C)CCCCCC	PC-id_61335433	280.472	AUKZKECIVFTTOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044409
s1c(nc2c1CCC2)C(NC(C)C)(CCC(C)C)C	PC-id_61335615	280.472	GSCTXROCGRJVPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044410
s1c(nc2c1CCC2)C(NC(C)C)(CCC)CCC	PC-id_61336007	280.472	CXBVJVKZQOJTPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044411
s1c(nc2c1CCC2)C(NCCC)(CCC(C)C)C	PC-id_61336160	280.472	UHNWZOQAZHNJKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044412
s1c(nc2c1CCC2)C(NCCC)(CCCC)CC	PC-id_63951859	280.472	LFJSJBJIBYIWIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044413
s1c(nc2c1CCC2)C(NC(C)C)(CCCC)CC	PC-id_63952260	280.472	HJBGNBFHHMYAGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044414
s1c(nc2c1CCC2)C(NCCC)(CCCCC)C	PC-id_80558649	280.472	IQPJYTZUZCGDDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044415
s1c(nc2c1CCC2)C(NC(C)C)(CCCCC)C	PC-id_80558855	280.472	LPEZYSBXUWPYCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044416
S=c1n(c2CC(Cc2n1CC(C)C)(C)C)CC(C)C	PC-id_13946886	280.472	KSJILDPEZPCIOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044417
Cc1sc(c2c1C(=S=C2C(C)(C)C)C(C)(C)C)C	PC-id_101633358	280.492	FWPVJUWKVNRAIR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-044418
O=C1C=Cc2c1c(sc2[Si](C)(C)C)[Si](C)(C)C	SCHEMBL6521343,PC-id_69810815	280.533	FYPCRVHYLUBCOE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-044419
[Si](C1c2n(cc([Si](C)(C)C)c2N(C1)C)C)(C)(C)C	PC-id_85557756	280.557	QGUPMRHBTBSEHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044420
Brc1sc2c(C(CC2)CNC)c1Cl	PC-id_68335482,SCHEMBL12645131	280.612	JKRYSONDYRROQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044421
Clc1ccc(Cn2c(O)c3n(C(OC3)C)c2=O)cc1	PC-id_54185917	280.707	PFCDHXTZMQTNSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044422
CC(c1nnc2n1CCC2)NC(=O)c1ccoc1Cl	PC-id_113864569	280.71	XQSODRXLIZQJMG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044423
Clc1ccc(o1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_103614937	280.71	BVPUYSRNCPVHHG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044424
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Cl)o1	MCULE-6419007401,ZINC22_65411654,EMOLS-id_35706536,PC-id_53502275	280.71	ZHBBMIBRGVZQBP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044425
CN(C(=O)c1ccoc1Cl)Cc1nnc2n1CCC2	PC-id_106686369	280.71	DTPXDDKFKPTBBT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044426
O=C(N1CCn2c1ncc2)CCc1c(Cl)onc1C	EMOLS-id_258164401,MCULE-3579240385	280.71	ICRCVRCAXDPVST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044427
c1(C(=O)NCc2c3CCCc3[nH]n2)n[nH]c(N)c1Cl	MCULE-4907707205,ZINC22_215837034,PC-id_77089473,EMOLS-id_49885449	280.714	GRILUOBGLDTJTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044428
CC1CCc2c1c(O)nn2Cc1cccc(Cl)c1F	MCULE-1640890221,EMOLS-id_330959091	280.725	LLOULZVIHYMREP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044429
CC1CCc2c1c(O)nn2Cc1cccc(F)c1Cl	MCULE-8436708061,EMOLS-id_330957043	280.725	ZODGNNGVFABOMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044430
CC1CCc2c1c(O)nn2Cc1ccc(Cl)cc1F	MCULE-9476553337,EMOLS-id_330959603	280.725	UAGUUGXLJHXPCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044431
CC1CCc2c1c(O)nn2Cc1ccc(Cl)c(F)c1	MCULE-5544053438,EMOLS-id_330957044	280.725	ALESDEXICWZSOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044432
CC1CCc2c1c(O)nn2Cc1ccc(F)cc1Cl	MCULE-3360024249,EMOLS-id_330960626	280.725	JRIIGQWDYHYCMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044433
CC1CCc2c1c(O)nn2Cc1ccc(F)c(Cl)c1	EMOLS-id_330958835,MCULE-5245440015	280.725	UNBLMFUTWCZNOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044434
CC1CCc2c1c(O)nn2Cc1cc(F)ccc1Cl	MCULE-5845591421,EMOLS-id_330960882	280.725	BNGWGVDZEYYGSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044435
CC1CCc2c1c(O)nn2Cc1cc(F)cc(Cl)c1	EMOLS-id_330959347,MCULE-8172027596	280.725	BCEZZTKNIJJRQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044436
CC1CCc2c1c(O)nn2Cc1c(F)cccc1Cl	MCULE-2431195811,EMOLS-id_330960370	280.725	ZJJZVAWTOUZIRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044437
CC1CCc2nn(Cc3cccc(Cl)c3F)c(O)c12	EMOLS-id_331009440,MCULE-3234443836	280.725	JLNDPXSCXGJGQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044438
CC1CCc2nn(Cc3cccc(F)c3Cl)c(O)c12	MCULE-6142415785,EMOLS-id_331007392	280.725	HSVZKEGSWDXLMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044439
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(O)c12	EMOLS-id_331009952,MCULE-4871972519	280.725	HGNOOAICIVRGNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044440
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(O)c12	EMOLS-id_331007393,MCULE-7502013070	280.725	CWHJFNUUPCPBAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044441
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(O)c12	EMOLS-id_331006880,MCULE-2563489676	280.725	YKMQBOVMFCVLIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044442
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(O)c12	MCULE-4986721157,EMOLS-id_331009184	280.725	GKQLERJKSJNPHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044443
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(O)c12	MCULE-2786468587,EMOLS-id_331007136	280.725	KGGKNTLRWBTCGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044444
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(O)c12	MCULE-5270467406,EMOLS-id_331009696	280.725	OCALTXKTQDUXCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044445
CC1CCc2nn(Cc3c(F)cccc3Cl)c(O)c12	EMOLS-id_331006624,MCULE-6925527128	280.725	JVDNEHHEGGPWMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044446
CC1CC(c2n1ncn2)NCc1c(F)cccc1Cl	EMOLS-id_318555494,MCULE-9310257719	280.728	FOLFPCNPWSLTCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044447
Clc1ccc(c(c1)F)CNCc1nnc2n1CCC2	MCULE-9913419166,EMOLS-id_318558197	280.728	WFUSWHKULVOOLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044448
Fc1cc(CNCc2nnc3n2CCC3)cc(c1)Cl	MCULE-7250155718,EMOLS-id_318588808	280.728	LKAVYGCDXQKJRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044449
Clc1ccc(C(=O)Nc2onc3c2CSC3)cc1	PC-id_49719046	280.73	MWIKQNWQSOJXLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044450
Clc1cc(C(=O)Nc2onc3c2CSC3)ccc1	PC-id_49719045	280.73	JDIHXVCHYMOOCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044451
Clc1c(C(=O)Nc2onc3c2CSC3)cccc1	PC-id_49719044	280.73	JTKZCSRLVJPCBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044452
c1(nnc2SCCn12)NC(=O)c1ccc(cc1)Cl	CoCoCo_2590498,ZINC22_17155663,MCULE-7552917866,EMOLS-id_16349413,PC-id_22582957,ChEMBL-DNDi_CHEMBLF2079-0058	280.733	XZCVVCVTJXNTLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044453
Clc1ccc(nn1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315220924,PC-id_54962903	280.733	OBYZYMQONNDKEC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044454
Clc1c(C(=O)Nc2n3CCSc3nn2)cccc1	ChEMBL-DNDi_CHEMBLF2079-0056,EMOLS-id_16349409,CoCoCo_2590496,MCULE-5355751994,PC-id_22582955	280.733	XJGISRXTPXNZAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044455
Clc1cncc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_113848416	280.733	BMUBJLKCUHWAKN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044456
Clc1ncc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_107242977	280.733	WORAWQFCJKRSIB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044457
O=C(Nc1nnc2n1CCS2)c1cccc(Cl)c1	MCULE-2022925086,PC-id_22582956,ChEMBL-DNDi_CHEMBLF2079-0057,ZINC22_17149955,CoCoCo_2590497,EMOLS-id_16349411	280.733	XJMZTCUDQUBSOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044458
Clc1ccc(c(c1)F)C(=O)c1sc2c(c1)CCC2	PC-id_115791509	280.745	JIZMCCWVFWNCNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044459
Fc1ccc(c(c1)C(=O)c1sc2c(c1)CCC2)Cl	PC-id_113711950	280.745	MJEONWGZDNNSBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044460
ClC1=CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_279152958	280.753	ARPQQSPRYDMHNI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-044461
Cn1ncc(Cl)c1CNCCc1nnc2n1CCC2	PC-id_136533923,EMOLS-id_316897565,ZINC22_582283586,MCULE-6979011081	280.757	MLZLQONSMNXVGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044462
CCn1ncc(c1C(=O)c1sc2c(c1)CCC2)Cl	PC-id_115803985	280.773	DGUNVEQVKUNBQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044463
Clc1sc2CCC(Nc3ccc(OC)nc3)c2c1	PC-id_81251930	280.773	MJQOCMBIPZYNJF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-044464
Clc1sc2CCC(Nc3cn(c(=O)cc3)C)c2c1	PC-id_81251733	280.773	CPAGKUFBAGZBLO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-044465
Clc1sc2CCC(Nc3c(OC)nccc3)c2c1	PC-id_81252389	280.773	LVFISBOULPLKAP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-044466
Clc1ccc(nc1)NCCc1cn2c(n1)SCC2	MCULE-3282302441,EMOLS-id_318342905	280.776	CEWQHSYLDFFZHL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044467
Clc1cccnc1NCCc1cn2c(n1)SCC2	MCULE-5898440377,EMOLS-id_318274811	280.776	KGCZMWLUNXTBCN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044468
Clc1ccc(nn1)NCCc1sc2c(n1)CCC2	MCULE-3731873285,EMOLS-id_318607166	280.776	FJOLXGZWEPXIKC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044469
Clc1ccnc(c1)NCCc1cn2c(n1)SCC2	EMOLS-id_318541534,MCULE-6728434517	280.776	MZBFXYWXAOEOLH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044470
Clc1cnccc1NCCc1cn2c(n1)SCC2	MCULE-3551801298,EMOLS-id_318006043	280.776	BDCUJGGDXSXGEN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044471
Clc1cncc(n1)NCCc1sc2c(n1)CCC2	EMOLS-id_318655560,MCULE-6496787025	280.776	CVZUVLYRKQDCFH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044472
Clc1cncnc1NCCc1sc2c(n1)CCC2	EMOLS-id_318397330,MCULE-1562667434	280.776	PGCFCIJQQAFUET-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044473
Clc1cnc(nc1)NCCc1sc2c(n1)CCC2	MCULE-7482786293,EMOLS-id_318477919	280.776	RZOPOIDCKDXYCG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044474
Clc1c(ncnc1N)NCc1sc2c(c1)CCC2	PC-id_106811941	280.776	KASOCDDIQWAXKO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044475
Clc1nccnc1NCCc1sc2c(n1)CCC2	EMOLS-id_318474212,MCULE-6340915470	280.776	OKWSSFWJAKPSQE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044476
Clc1ncc(nc1)NCCc1sc2c(n1)CCC2	MCULE-3414201346,EMOLS-id_318474461	280.776	KUQKVJGHERMCJU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044477
Nc1c(ncnc1Cl)NCc1sc2c(c1)CCC2	PC-id_114074436	280.776	FTZIALBOPXRZGX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-044478
ClC(c1sc2c(CCC2)c1)c1cc(c(F)cc1)C	PC-id_79746817	280.788	IRILWTHYYGGJRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044479
ClC(c1sc2c(CCC2)c1)Cc1ccc(F)cc1	PC-id_63543336	280.788	QNZUQABTMRJBCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044480
ClC(c1sc2c(CCC2)c1)Cc1cc(F)ccc1	PC-id_63543879	280.788	BCPCNYKGSXWCSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044481
ClC(c1sc2c(CCC2)c1)Cc1c(F)cccc1	PC-id_63544231	280.788	MTDWQWLFTUKPIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044482
Clc1cc2c(s1)CCC2NCCS(=O)(=O)N	EMOLS-id_50782514,PC-id_81251599	280.795	UKAPNYZCIYBEFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044483
ClCCCS(=O)(=O)Nc1sc2CCCc2n1	PC-id_61510137,EMOLS-id_38357931	280.795	SUFPNVXNYUMFIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044485
CN(S(=O)(=O)NC1CCc2c1cc(s2)Cl)C	EMOLS-id_102495077	280.795	BMYVAFQVPVWJEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044486
CC(C1CCCCC1)n1nc2CCC(C)c2c1CCl	MCULE-6019842330,EMOLS-id_331006653	280.836	JIGISRBZAAWSCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044487
In1cc2c(n1)C(=O)N(C2)P	PC-id_68262715,SCHEMBL12430916	280.991	DXXQSEMIMIZLSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044488
CC1=N[NH2+]c2c(c(nn12)Cc1ccccc1Cl)Cl	PC-id_163609382	281.036	HEOWDHYXZFMZHB-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-044489
IC1=Cc2c(S1(=O)=O)cc[nH]2	PC-id_141742504	281.071	IWAKHPWQFHRDOJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-044490
CC(C)N1C=C(C=N1)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164872150	281.095	JFSMDDXIAJIFOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044491
c1(CN)c2COCc2sc1I	EMOLS-id_331064865,MCULE-6162960214	281.114	QVCIYRRMLJLXDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044492
c1(CO)c2CNCc2sc1I	EMOLS-id_331065902,MCULE-1639462942	281.114	FNSIVGHOYCUMJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044493
C1CCOC(C1)CSCC(=O)N2CCN3C2=NC=C3	PC-id_154765071,MCULE-1222866627,EMOLS-id_257940383	281.12	GSVXGZYJXDFNGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044494
C1CC2=C(C1)NN=C2C(=O)N[C@H]3CCO[C@@H]([C@H]3O)CO	PC-id_154564554,ZINC22_1857673956,MCULE-2046600003,EMOLS-id_324203009	281.138	URKBFWSVPNSRDH-UMNHJUIQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044495
CC(C)(C)OC(=O)N1CC2=C([C@H]1C(=O)OC)C=NN2C	PC-id_164922298	281.138	QSQHIPOIRYWHOX-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-044496
CCOC(=O)[C@@H]1C2=C(CN1C(=O)OC(C)(C)C)NN=C2	EMOLS-id_323947523,MCULE-9871112588,PC-id_148570606	281.138	MWUMSCYTDUHVDA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-044497
CCOC(=O)[C@H]1C2=C(CN1C(=O)OC(C)(C)C)NN=C2	MCULE-1497099793,PC-id_151143986,EMOLS-id_323948035	281.138	MWUMSCYTDUHVDA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044498
OP(=O)(C(P(=O)(O)O)C1Cn2c(C1)ccc2)O	SCHEMBL10385448,PC-id_22156583	281.139	IJCMZMCQWPRHPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044499
C[C@@H]1CC2=C(SC(=C2[C@@H]1C(C)C)C)C(=O)N(C)OC	PC-id_147212809	281.145	CFNLOAIYTKFESV-BXKDBHETSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044500
CC(C)(C)OC(=O)NCC(=O)C1=C2N(CCN2N=C1)N	PC-id_154123585	281.149	MYOUGMPVOFDAIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044501
Cl.n1c2n(c(c1Cl)/C=N/NC(=N)N)CCS2	CHEMBL544853	281.165	BOPTXZBKWKAEAD-KODGKZAJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044502
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)Cl	EMOLS-id_330975734,MCULE-2194048768	281.18	BRQBXKSYCSJCHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044503
CC1CCc2c1c(Cl)nn2Cc1ccccc1Cl	EMOLS-id_330974453,MCULE-9503409778	281.18	DYBXRBTWRBXCQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044504
CC1CCc2nn(Cc3ccccc3Cl)c(Cl)c12	MCULE-5695237266,EMOLS-id_330959537	281.18	BRUZFAMJNFADFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044505
CC1CCc2nn(Cc3ccc(Cl)cc3)c(Cl)c12	EMOLS-id_330960818,MCULE-4233496585	281.18	IBGLWADINSSMMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044506
COC(C1(O)CC(c2n1ccc2)(O)C(F)(F)F)OC	SCHEMBL18095616,PC-id_122573512	281.228	DBZWFCMXTMQJLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044507
Fc1c(C(=O)c2c3CCCc3oc2N)ccc(F)c1F	PC-id_83447138	281.23	DVSKEQHBMHGLOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044508
c1(C(=O)Nc2ccc(c(F)c2F)F)c2CCCc2[nH]n1	PC-id_110388968,EMOLS-id_179744973,MCULE-8066276578	281.233	PRZWBXPZNLMENK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044509
c1(C(=O)Nc2ccc(F)c(F)c2F)cn2c(CCC2)n1	MCULE-1224058092,EMOLS-id_321297886	281.233	HCTAOIAPQSTQAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044510
c1(C(=O)Nc2cc(F)c(c(F)c2)F)c2CCCc2[nH]n1	EMOLS-id_323254975,MCULE-5429676479	281.233	XDRRAIVTUCSNIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044511
O=C1NCc2c1cnn2Cc1ccccc1C(F)(F)F	PC-id_110171016	281.233	RZNIIQNZMXJFRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044512
O=C1NCc2c1cnn2Cc1ccc(cc1)C(F)(F)F	PC-id_110171021	281.233	QZFDPQAKCUVPRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044513
S1Cc2c(noc2NC(=O)c2oc([N+](=O)[O-])cc2)C1	PC-id_45505361	281.245	DQRSUTGSYJKDHG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044514
S1CCn2c1nnc2NC(=O)c1oc([N+](=O)[O-])cc1	PC-id_44007666	281.248	AXVDDPGTNQAAIF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044515
OC(=O)C1CCc2c1nc(s2)COCC(F)(F)F	PC-id_103473391	281.252	BBAKVCMHIFSJBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044516
FC(Oc1ccccc1OCc1nnc2n1CCC2)F	EMOLS-id_318873848	281.258	IZOKYPQHZSMRDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044517
O=C(c1ccc(o1)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_319351111	281.258	UABISYBWTGWQME-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044518
O=C(c1coc(c1)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_318777501	281.258	YJAUPJZDWPAJAQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044519
O=C(c1coc(c1)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318999704	281.258	JUEQNKPHTYGNQR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044520
O=C(c1ccnn1C(F)F)NCc1n[nH]c2c1CCC2	MCULE-7008375461,EMOLS-id_320067339	281.261	QYBWKZOJDOELFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044521
O=C(c1cnn(c1)C(F)F)NCc1cnc2n1CCC2	MCULE-4829383198,EMOLS-id_320086664	281.261	LZIKXVCRZZTDLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044522
O=C(c1cnn(c1)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319032431	281.261	VBNPHEPEXNHGQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044523
O=C(c1[nH]c2c(c1)CCC2)Nc1nnn(c1C(F)F)C	EMOLS-id_319351445	281.261	YOQUYTDBQUIKKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044524
O(C(C)(C)C)c1oc(c2c1C(=O)CC2=O)C(=O)OCN	PC-id_57140634	281.261	SSNPMKNWRXKYBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044525
FC(C(C(=O)NCc1sc2c(c1)CCC2)(F)F)F	PC-id_103733318	281.27	IYNSSKMCMGPIJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044526
FC(F)(F)c1oc2c(CCC2)c1C(N)c1ccccc1	PC-id_83610564	281.273	JKPPLRDTOUSBIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044527
Cc1ccc(cc1NC1CCn2c1ncc2)C(F)(F)F	EMOLS-id_317950312	281.276	GBEXJQRKRBLJPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044528
Fc1cc(F)c(c(c1)F)CNC1CC(n2c1ncc2)C	MCULE-1836393839,EMOLS-id_318574651	281.276	QWNGZQSTKNECLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044529
FC(c1cccc(c1)CNC1CCn2c1ncc2)(F)F	EMOLS-id_317970766,MCULE-7927767811	281.276	GDRGJDBRUZSUQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044530
FC(c1ccc(cc1)CNC1CCn2c1ncc2)(F)F	MCULE-5794132781,EMOLS-id_317923499	281.276	RAYQDGQJVJTSJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044531
FC(c1ccc(cc1)NCc1cnc2n1CCC2)(F)F	MCULE-9299687864,EMOLS-id_318167823	281.276	MDBUZEADLFWOHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044532
FC(c1cccc(c1)NCc1cnc2n1CCC2)(F)F	MCULE-9490257607,EMOLS-id_318175332	281.276	GLRICPNHTYUNOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044533
FC(Cc1cccc(c1)NC1CCn2c1ncc2)(F)F	EMOLS-id_318201185,MCULE-9173504011	281.276	WJEOSPDGDNZUMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044534
FC(Cc1ccc(cc1)NC1CCn2c1ncc2)(F)F	MCULE-7446444995,EMOLS-id_318361143	281.276	MGFAOFUJPRCCAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044535
s1c2c(CCC2=O)c(N)c1Oc1cc(F)c(F)cc1	PC-id_16639318	281.278	CHAKZJOUWWRLEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044536
s1c2c(CCC2=O)c(Oc2c(F)cc(F)cc2)c1N	PC-id_15364033	281.278	HJGVLQUZRMIFAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044537
O=C(c1ccnc(c1F)F)Nc1sc2c(n1)CCC2	PC-id_113709944	281.281	IBFMLHVEHUGSQD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044538
FCC1(CCN(C1)C(=O)c1cn2c(n1)CCC2)C(=O)O	EMOLS-id_319692638	281.283	ZYRNVKVZPCPRIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044539
FCC1(CCN(C1)C(=O)c1cnc2n1CCC2)C(=O)O	EMOLS-id_320152219,MCULE-8114671106	281.283	KRRXNUAYLYCRHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044540
FCC1(CCN(C1)C(=O)c1n[nH]c2c1CCC2)C(=O)O	EMOLS-id_319765981	281.283	OQWADRDPKDTBPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044541
s1c2c(N/C(=C(/CC(=O)OC)C(=O)OC)/C2=O)cc1	PC-id_44133442	281.284	NMWPRMCSSTZAHH-TWGQIWQCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044542
s1c2c(NC(=C(CC(=O)OC)C(=O)OC)C2=O)cc1	PC-id_74930649	281.284	NMWPRMCSSTZAHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044543
O=C(C1ON=C(C1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_107426942	281.288	NMDIQENMTIGJCL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-044544
O=C(NC(=O)Nc1sc2c(n1)CCC2)/C=C/C(=O)O	PC-id_109374484	281.288	XPZHFOCTPUKZSO-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044545
s1c2CCCc2nc1NC(=O)NC(=O)C=CC(=O)O	PC-id_61512197	281.288	XPZHFOCTPUKZSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044546
S1Cc2c(noc2NC(=O)CN2C(=O)CCC2=O)C1	PC-id_45505362	281.288	PBGBZVUCGYJJKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044547
CCC([C@@H]1C[C@@H](c2n1nc(n2)C(=O)C1CC1)F)C(=C)F	PC-id_137412590,SCHEMBL20646010	281.301	CHZSTTJBCOFDRH-DVRYWGNFSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044548
CCOC(=O)c1c2CN(C(=O)OC(C)(C)C)Cc2oc1	MCULE-6361344128,ZINC22_97759006,EMOLS-id_49433433,PC-id_121229892	281.304	ARHHBBXIFNNVGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044549
FC/C=CC(=C/CF)C1Cc2c(C1)c(n[nH]2)/C(=N/N)/N	PC-id_143311052	281.304	PAWJKQGXFUDWTI-CKRIMZSVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044550
o1c2c(CN(C2)C(=O)OC(C)(C)C)c(c1C)CC(=O)O	PC-id_84812089	281.304	ZCMADSSGYDYPIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044551
o1nc2C(C(Cc2c1)(C(=O)OC)C(=O)OC)CCCC	PC-id_16081919	281.304	JHGLDJVGBUVJES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044552
OCC(NC(=O)c1occ2c1CCC2)CC1OCCO1	EMOLS-id_319151878	281.304	IGBYOGJTJXKYAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044553
Cc1cccc(c1F)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-4365968584,EMOLS-id_316408250	281.306	IBWPELONMNCQLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044554
Cc1cccc(c1F)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316707571	281.306	ZQRRWFUXEZGPJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044555
Cc1ccc(cc1F)S(=O)(=O)N1CCn2c1ncc2	MCULE-5181503925,EMOLS-id_319831459	281.306	VOCHETLDEBFWDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044556
Cc1ccc(c(c1)S(=O)(=O)N1CCn2c1ncc2)F	MCULE-1203912840,EMOLS-id_320250880	281.306	GRZYWESHCWWCLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044557
Cc1cc(F)cc(c1)S(=O)(=O)N1CCn2c1ncc2	MCULE-9784790557,EMOLS-id_319871704	281.306	BXLPQGZHELZBHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044558
CCc1cc2n(c1C(=O)c1ccccc1)CC=C2C(=O)O	SCHEMBL11604702,PC-id_70619374	281.306	XJGUKFUWOVYUQU-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-044559
C=Cc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	CHEMBL9129,PC-id_13487062,SCHEMBL9792204	281.306	MMQPGPFBKJDMQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044560
Fc1ccc(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319113881	281.306	FAQWASXQWABTRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044561
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316613453	281.306	CRZKQMUMPFSBMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044562
Fc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316614477	281.306	RUCAPIVLLRSGFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044563
Fc1ccc(c(c1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_316743172	281.306	VBMHKVOXPGKYKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044564
c12CN(Cc1nn(CC)c2C(=O)OCC)C(=O)OCC	EMOLS-id_324345199,MCULE-4021066952	281.308	NRQZDMVSWYYOTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044565
c12CN(Cc1nn(CC)c2C(=O)O)C(=O)OC(C)(C)C	MCULE-1317085378,PC-id_105522453,EMOLS-id_324345192	281.308	GPCVADXSLRBIMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044566
c12CN(Cc1nn(CCC)c2C(=O)OCC)C(=O)OC	EMOLS-id_324343151,MCULE-3202483472	281.308	IYRYNFNCZPQINE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044567
c12CN(Cc1nn(CCC)c2C(=O)OC)C(=O)OCC	EMOLS-id_324342124,MCULE-1892528561	281.308	AEEWSNZZJVQSAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044568
c12CN(Cc1nn(CCC(=O)O)c2)C(=O)OC(C)(C)C	PC-id_84751048,MCULE-6815070547	281.308	NBWFHBAXVSVWHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044569
CC(C)(C)OC(=O)N1Cc2c(n[nH]c2C1(C)C)C(=O)O	ZINC22_1554713945,MCULE-9304182132,EMOLS-id_316208508	281.308	DNLIRWUFRXSOJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044570
CC(C)(C)OC(=O)NCc1nn2c(c1C(=O)O)CCC2	MCULE-5348538161,ZINC22_1775955180,EMOLS-id_317766745,PC-id_139026389	281.308	BSUUJFVJWCLEFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044571
C[C@H]1N(Cc2c1c(nn2C)C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_337807857	281.308	OKFWZTDJYVHDKN-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044572
C[C@@H]([C@H]1COC(O1)(C)C)NC(=O)c1nn2c(c1)OCC2	MCULE-9791495161,EMOLS-id_319927815	281.308	MGALUGYAARUQNN-WCBMZHEXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044573
CCn1cc2C(N(Cc2n1)C(=O)OC(C)(C)C)C(=O)O	MCULE-7133828518,EMOLS-id_259640381	281.308	DCAFJXOKMNGDPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044574
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)C(=O)O	PC-id_118614637,SCHEMBL17380918	281.308	KRTKMYXYXXFXPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044575
CCn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)O	PC-id_105522450	281.308	CPLHLCXOJRDXNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044576
CCn1ncc2c1CN(C2C(=O)O)C(=O)OC(C)(C)C	PC-id_18541312,SCHEMBL7163168	281.308	TWVYVTSSBCWSKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044577
CCn1ncc2c1CN([C@@H]2C(=O)O)C(=O)OC(C)(C)C	PC-id_20583547,SCHEMBL7163165	281.308	TWVYVTSSBCWSKY-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-044578
CCOC(=O)c1cc2N(CCn2n1)C(=O)OC(C)(C)C	ZINC22_96029103,EMOLS-id_48665275,PC-id_72698650,MCULE-5236903435	281.308	GKRDRKRLEUQWGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044579
CCOC(=O)c1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_118614041,SCHEMBL17380306	281.308	RYLDBVVCUHXTJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044580
CCOC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2	MCULE-7831755715,PC-id_10378985,EMOLS-id_32233824,ZINC22_38682171	281.308	MHWYLDOKAIBUKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044581
CCOC(=O)n1nc2c(c1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL5720837,PC-id_69543295	281.308	HQGWKVXMTNUNDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044582
CCOC(=O)n1ncc2c1CN(C2)C(=O)OC(C)(C)C	SCHEMBL5720871,PC-id_9817186	281.308	DYZJUOFBVWINBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044583
COc1c(C)n2c(c1[N+](=O)[O-])N(CC2)CC1COCC1	SCHEMBL14646149,PC-id_71231120	281.308	QQBPFUMYADXHMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044584
COC(=O)c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380692,PC-id_118614420	281.308	RCLPYYCICNHAPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044585
O=C(c1cc2n(n1)CCO2)N1CCCC(CO)(CO)C1	ZINC22_2325848729	281.308	PIGHBASPYUFWBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044586
O(C(C)(C)C)C(=O)N1Cc2c(nn(c2)C(C)C(=O)O)C1	PC-id_84751047	281.308	MNIHKCBAMAPWEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044587
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)CCC(=O)O	PC-id_83949656	281.308	ZFMISKWHNWOTJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044588
OCC(NC(=O)c1cn2c(n1)CCC2)CC1OCCO1	EMOLS-id_319877948	281.308	SEJZGRNGVNUIHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044589
OCC(NC(=O)c1cnc2n1CCC2)CC1OCCO1	EMOLS-id_319640766	281.308	DIGSYPMIIXPHPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044590
OCC(NC(=O)c1n[nH]c2c1CCC2)CC1OCCO1	EMOLS-id_318923067	281.308	BXLPOEADMILGEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044591
OCCOC1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99596076	281.308	USPABLXZLURZOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044592
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)N	PC-id_7062907	281.308	MYHMYWHHVFPELS-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-044593
c1(C(=O)c2ccc(cc2)OC)c(N)c(c2CCCn12)C#N	EMOLS-id_15321612,PC-id_16762466,TIMTEC600014,MCULE-6189298008,ZINC22_12420433	281.309	ZPAWPFYBRZUTGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044594
N#Cc1ccc(c(c1)OC)NC(=O)c1[nH]c2c(c1)CCC2	MCULE-5284060541,EMOLS-id_320190439	281.309	TZAMGOFJXMEAJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044595
N#CCCn1nc(c2c1CCC2=O)COc1ccccc1	PC-id_22732654,SCHEMBL6164485	281.309	WZCCONWDSDJXOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044596
CC1(CCN2CCNCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_141088161	281.311	NLQSHSKQVIFXQT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044597
CC(C)(C)OC(=O)NCC(=O)Nc1c2NCCn2nc1	SCHEMBL5500895,PC-id_135800730	281.311	SHOTWSMRPWVNIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044598
CCOC(=O)C(C(=O)NC(c1nnc2n1CCC2)C)N	PC-id_116457651	281.311	NFHVMSPKPAARQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044599
CCOC(=O)C(C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_116458242	281.311	RXBBBYPDEPPPPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044600
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)OC(C)(C)C	SCHEMBL12307395,PC-id_58440907	281.311	XMKMYFQKGFBUEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044601
O=C(N(Cc1n2CCCc2nn1)C)C(N)CCC(=O)O	PC-id_64890485	281.311	RPRLYOSFXCLVSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044602
O=C(NC(c1n2CCCc2nn1)C)C(N)CCC(=O)O	PC-id_64896766	281.311	CTKUOYXDISDXFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044603
[O-][N+](=O)c1nc2n(c1)CC(O2)(C)CN1CCNCCC1	PC-id_141088063	281.311	ZFZTZUTZGPSLED-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044604
c1ccc(cc1)n1ccc(n1)OCc1nnc2n1CCC2	EMOLS-id_319461581	281.312	BBSXBASMJZJHPW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044605
c1ccc(c(c1)OCc1nnc2n1CCC2)n1cccn1	EMOLS-id_320055219,MCULE-8629881083	281.312	RLMMORXPRVYKBE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044606
c1ccc(c(c1)OCc1nnc2n1CCC2)n1cncc1	EMOLS-id_320280847,MCULE-6927876622	281.312	UTJAHRVDLBPZOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044607
N#Cc1ccc(cn1)CC(=O)NCc1cnc2n1CCC2	MCULE-4479025620,EMOLS-id_320233856	281.312	CGCZCDKQSLZGPZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044608
N#Cc1ccc(cn1)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320215306,MCULE-5245258496	281.312	YGTPDJXLWCMUQD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044609
N#Cc1ccc(nc1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319345719	281.312	PFNVQKYWTQHGMT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044610
N#Cc1cnc(cc1C)C(=O)NCc1cnc2n1CCC2	MCULE-3695290050,EMOLS-id_319905113	281.312	DONSXGNWFPIBDB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044611
N#Cc1cnc(cc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319537301	281.312	BIYPCVSNRNNECF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044612
N#Cc1nccc(c1)CNC(=O)c1n(C)nc2c1CCC2	EMOLS-id_320220837,MCULE-8795157852	281.312	SIPAHYRBXDOWJR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044613
c1(CN(C)C(=O)c2ccc(nc2)C#N)c2CCCc2[nH]n1	ZINC22_244796162,EMOLS-id_55605962,MCULE-4662871727,PC-id_91829003	281.313	RUDPTIJKDMEGNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044614
C#Cc1cccc(NC(=O)NCc2nnc3n2CCC3)c1	EMOLS-id_36633856,PC-id_52196764,ZINC22_43984358,MCULE-1205859130	281.313	QSHMYYWOFGKPQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044615
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(C#N)cc1	MCULE-3310753346,EMOLS-id_16691551,CoCoCo_4491568,ZINC22_11120897,PC-id_17504736	281.313	QGSXCCWELPIFIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044616
N#Cc1ccc(cc1NCc1nnc2n1CCC2)C(=O)C	EMOLS-id_318435336	281.313	GKPXISWGRQKMMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044617
N#Cc1cnc(c(c1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319087346	281.313	OPUYTHFVFPJJKQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-044618
CC(C)(F)C1CCN(C(=O)c2cc3n(n2)CCO3)CC1	ZINC22_2325793227	281.326	LUISYFZBOQYTFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044619
CCOC(=O)c1c(NC(=O)C(=O)C)sc2CCCc12	EMOLS-id_327854574,MCULE-4664698585	281.327	ZQEJRZKWKTZWDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044620
COC(=O)c1c2c(CCC2)sc1NC(=O)CC(=O)C	MCULE-4239841965,PC-id_4354029,ZINC22_3886353,EMOLS-id_2856831	281.327	FNBRBRMSLJIFTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044621
s1c2c(CCC2)cc1C(=O)N1C(CC(O)C1)C(=O)O	PC-id_43183885	281.327	DLBUEXFMUUNOMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044622
s1c2c(CCC2)cc1C(=O)N1C(COCC1)C(=O)O	PC-id_65546759	281.327	QVQRIFUMCILCKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044623
s1c2c(CCC2)cc1C(=O)N1[C@@H](C[C@@H](O)C1)C(=O)O	PC-id_28118859	281.327	DLBUEXFMUUNOMN-BDAKNGLRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044624
s1c2c(CCC2)cc1C(=O)N1[C@@H](C[C@H](O)C1)C(=O)O	PC-id_28118861	281.327	DLBUEXFMUUNOMN-IUCAKERBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044625
s1c2c(CCC2)cc1C(=O)N1[C@H](C[C@@H](O)C1)C(=O)O	PC-id_28118863	281.327	DLBUEXFMUUNOMN-RKDXNWHRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044626
s1c2c(CCC2)cc1C(=O)N1[C@@H](CC(O)C1)C(=O)O	PC-id_61152644	281.327	DLBUEXFMUUNOMN-GKAPJAKFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044627
s1c2c(CCC2)cc1C(=O)NC1C(COC1)C(=O)O	PC-id_66221178	281.327	CLUCBFOSYOSHHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044628
s1c2c(CCC2)c(c1NC(=O)C1CCOC1)C(=O)O	PC-id_61270498	281.327	KUFKANORGXOFRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044629
s1c2c(CCC2)c(c1NC(=O)C1OCCC1)C(=O)O	PC-id_43328027	281.327	QJYMYFSQVHCUHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044630
O=C(c1sc2c(c1)CCC2)N1CCOC(C1)C(=O)O	PC-id_61742584,EMOLS-id_51378417,MCULE-9904466550	281.328	OWTNYLOLEHDLIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044631
O=C(c1sc2c(c1)CCC2)NC1(CCOC1)C(=O)O	PC-id_64888421,EMOLS-id_71232983,MCULE-4397744323	281.328	SVZMEBYTJTYTJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044632
S1(=O)(=O)c2sc(S(=O)(=O)N)cc2C=C1CO	PC-id_10660461	281.329	IHIDWSFBSUQSEE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-044633
Cc1ccc(o1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320190986,MCULE-5069997809	281.331	FNJFVSMSQAUQCN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-044634
CN1CCOC(C1=O)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_278498273	281.331	TXUVWTCWWYJJRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044635
O=C1CCC(CN1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288721	281.331	ARYZXWCSOPKRIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044636
O=C1CCC(N1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288933	281.331	XIFUHVOTPMYLRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044637
O=C1NCCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288569	281.331	RMGHFRALCCNYDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044638
O=C(C1CC=CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057209	281.331	DURDUDDADDRQIK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-044639
O=C(NC1CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104287967	281.331	OXZZYYLEJRZNNE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044640
O=C(Nc1sc2c(n1)CCC2)NCC1(CC1)C(=O)O	PC-id_115451416	281.331	SMDMULGLKDBHHT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044641
OC(=O)C1CCc2c1nc(s2)NC1CCN(C1=O)C	PC-id_106259398	281.331	FNCQARYSOXKZOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044642
s1c2c(CCC2)c(c1NC(=O)CC)C(=O)NC(=O)N	PC-id_49678363	281.331	YELDFUYQOQCCJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044643
s1c2CCCc2nc1NC(=O)N1CC(C1)CC(=O)O	PC-id_64618442	281.331	MOXIIEYFCIROFD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044644
s1c2CCCc2nc1NC(=O)N1C(CCC1)C(=O)O	PC-id_61509875	281.331	JFGIWUKUBGHVEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044645
s1c2CCCc2nc1NC(=O)N1CC(CC1)C(=O)O	PC-id_63031910	281.331	LIMNZDYJEXQQFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044646
s1c2CCCc2nc1NC(=O)N1[C@H](CCC1)C(=O)O	PC-id_55150605	281.331	JFGIWUKUBGHVEF-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044647
s1c2CCCc2nc1NC(=O)N1[C@@H](CCC1)C(=O)O	PC-id_78971412	281.331	JFGIWUKUBGHVEF-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044648
s1c2CCCc2nc1NC(=O)N(C1CC1)CC(=O)O	PC-id_54983218	281.331	AOFBJSSCKSKLPT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044649
s1c2CCCc2nc1NC(=O)NC1(CCC1)C(=O)O	PC-id_81163309	281.331	OANDATCJXHDGAK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044650
s1c2CCCc2nc1NC(=O)NC(C1CC1)C(=O)O	PC-id_62710876	281.331	VMZZQDAXQNBFPS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044651
s1c2CCCc2nc1NC(=O)N(CC=C)CC(=O)O	PC-id_79276940	281.331	MNMXWXDANVKHLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044652
s1c2CCCc2nc1NC(=O)NC(CC=C)C(=O)O	PC-id_81771575	281.331	BGZQLXFRUKCTSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044653
CC1CC(c2n1ccn2)NS(=O)(=O)c1nc[nH]c1C	MCULE-1667673293,EMOLS-id_319953345	281.334	CSXQTINEDNRLHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044654
Cc1ncc(n1C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318118078	281.334	YNWKJSRWSZDQLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044655
Cc1nc(cn1C)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-7055303164,EMOLS-id_320301092	281.334	HOBJETZQTYAUHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044656
Cc1n(C)ncc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100963935	281.334	JDLUPGZEVGFWRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044657
Cc1[nH]cnc1S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319144305	281.334	WMGOAICAXJJQNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044658
Cc1nn(c(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100477407	281.334	GEDWCNRCCAIYLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044659
Cc1nn(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_319015026	281.334	SAGDPQLBDFVXDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044660
CCn1cc(nc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317969747	281.334	GZRWQBJUIDHZFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044661
CCn1cc(nc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316708595	281.334	NPZZJKCYUZDXKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044662
CC(n1cnc(c1)S(=O)(=O)N1CCn2c1ncc2)C	MCULE-5725459251,EMOLS-id_320290628	281.334	NUZZTHSFJSQUJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044663
CCn1ncc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100459502	281.334	UCQKDXMDEWTYLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044664
Cn1ccc(n1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97842864	281.334	YAIMIMHWGVXFSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044665
Cn1ccc(n1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98228417	281.334	WHCAVOUFQIZRKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044666
Cn1ccc(n1)S(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-6263482329,EMOLS-id_319908010	281.334	FSOYKUVEQYBKTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044667
Cn1ncc2c1CN(C2)S(=O)(=O)c1c(C)cnn1C	EMOLS-id_318178413	281.334	RKHOKYGJHYCNTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044668
Cn1nc(cc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970773	281.334	PMXAWINOUMWSLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044669
Cn1ncc(c1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100227250	281.334	DSSPPYSWBBXSET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044670
Cn1nccc1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319114943	281.334	NVNAIUZKFNFQSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044671
Cn1ncc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319921878,MCULE-1978291015	281.334	UEANSJAJLHZEQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044672
p1nc2c(n1C)C(=NC2=[N+](CC)CC)N(CC)CC	PC-id_23419992	281.337	SOZCDRJHWBNKCI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-044673
CCCC(=O)C1Cn2c(C1)ccc2C(=O)c1ccccc1	PC-id_144736820	281.349	JHVHERYLBSYORJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044674
CC(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_57652198,SCHEMBL13875295	281.349	LHJSFYUSQBAFSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044675
CCOC(=O)c1cc2c([nH]1)C(=CCc1ccccc1)CC2	PC-id_90832046	281.349	GEHSKECTPACKQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044676
CCOC(=O)C(=Cc1ccccc1)C1CCn2c1ccc2	PC-id_142629723	281.349	LTNNPFDDTVUUCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044677
COC(=O)c1cc2c([nH]1)CC/C/2=C/c1ccc(c(c1)C)C	SCHEMBL2074531,PC-id_67269052	281.349	QAUARHZGORMLGB-ZROIWOOFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044678
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1ccc(c(c1)C)C	SCHEMBL2074532	281.349	QAUARHZGORMLGB-NTEUORMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044679
COC(=O)c1cc2c([nH]1)CC/C/2=C/c1cc(C)cc(c1)C	SCHEMBL1004066,PC-id_66873459	281.349	MSRZPBVDNBYBNB-ZROIWOOFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044680
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cc(C)cc(c1)C	SCHEMBL1004067	281.349	MSRZPBVDNBYBNB-NTEUORMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044681
O=C(C1Cn2c(C1)ccc2C(=O)c1ccccc1)C(C)C	SCHEMBL18174530,PC-id_122642385	281.349	VSUVNCWNDLSFKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044682
c12CSCc1sc(CN)c2I	MCULE-1593501589,EMOLS-id_330871108	297.18	IYZUMAKCFPMQST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056787
OC(=O)c1[nH]c2c(c1)C(CC2)Cc1cccc(c1)C1CC1	SCHEMBL2077304,PC-id_59180240	281.349	LNPNUHMUYZGRFK-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-044683
O(C(=O)c1[nH]c2CCC(=Cc3cc(cc(c3)C)C)c2c1)C	PC-id_66873460	281.349	MSRZPBVDNBYBNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044684
O(C(=O)c1[nH]c2CCC(=Cc3cc(c(cc3)C)C)c2c1)C	PC-id_67269053	281.349	QAUARHZGORMLGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044685
c12CN(Cc1nn(C(C)C)c2CO)C(=O)OC(C)(C)C	MCULE-6720025096,EMOLS-id_324348779	281.351	WKLWCDPWWGHWRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044686
c12CN(Cc1nn(C(C)(C)C)c2O)C(=O)OC(C)(C)C	MCULE-9315321077,EMOLS-id_324338538	281.351	ZBWCPMKHKNANBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044687
Cc1c2n(CCO2)nc1C(=O)NCCC(C(C)(C)C)O	PC-id_91959924	281.351	DZFWMMOZQKIQMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044688
CCc1c(nn2c1OCC2)C(NC(=O)OC(C)(C)C)C	SCHEMBL14208146,PC-id_71098659	281.351	UJTVMXJMHUJHEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044689
CC(C)(C)OC(=O)N1Cc2cn(nc2C1)CCCCO	PC-id_134413791,SCHEMBL20046155	281.351	DDWJGVDHNHXZDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044690
CC[C@@H](c1nc2c([nH]1)COC2C)NC(=O)OC(C)(C)C	PC-id_102970348	281.351	OWRJVMKSIVWFOA-GKAPJAKFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044691
CC(Cn1[nH]c2c(c1=O)CN(C2)C(=O)OC(C)(C)C)C	PC-id_105522502	281.351	FFZONGSMUZUUIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044692
CC(Cn1[nH]c(=O)c2c1CN(C2)C(=O)OC(C)(C)C)C	PC-id_105522497	281.351	WSYKGONEYAFOML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044693
COC1(OC)CCN(CC1O)Cc1nn2c(c1)CCC2	EMOLS-id_258194785,MCULE-2806807515	281.351	YNDCGASHIQUSSX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044694
COC1(OC)CCOCC1NCc1cnn2c1CCC2	MCULE-7252003056,EMOLS-id_320080274	281.351	WEYSARGIGTUXDQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044695
o1c2CN(Cc2nc1C(N)C(C)C)C(=O)OC(C)(C)C	PC-id_83949366	281.351	MWOJFHURGXMVQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044696
OCC(c1nc2c([nH]1)CCC2C)NC(=O)OC(C)(C)C	PC-id_102970179	281.351	FONDMASZDXQDKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044697
O=C(N1Cc2c(C1)cnn2CC(O)(C)C)OC(C)(C)C	SCHEMBL9918094,PC-id_67964994	281.351	SGGFGCLODAGCPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044698
O=C(N1Cc2c(C1)cn(n2)CC(O)(C)C)OC(C)(C)C	SCHEMBL9918101,PC-id_67965000	281.351	PYEZIKJUJGNBCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044699
O=C(N1Cc2c(C1)c(=O)[nH]n2C(C)(C)C)OC(C)(C)C	PC-id_105522496	281.351	YKFSTKAXRIDBDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044700
O=C(N1Cc2c(C1)c(=O)n([nH]2)C(C)(C)C)OC(C)(C)C	PC-id_105522501	281.351	MSGALKWDNIGMES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044701
O=C(NC(c1nc2c([nH]1)COC2C)(C)C)OC(C)(C)C	PC-id_102970402	281.351	XLKUXMNANUUZFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044702
c12CN(Cc1nn(CC1CC1)c2C=O)Cc1ccccc1	EMOLS-id_324348008,MCULE-7262196657	281.352	QWKSAYCHIAZURW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-044703
CC1(C)C[C@@]1(C(=O)N1Cc2c[nH]nc2C1)c1ccccc1	ZINC22_615129188	281.352	RZSCNTBRFMZAKP-KRWDZBQOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044704
CC1(C)C[C@]1(C(=O)N1Cc2c[nH]nc2C1)c1ccccc1	ZINC22_615129189	281.352	RZSCNTBRFMZAKP-QGZVFWFLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044705
Cc1ccc([C@@H]2C[C@H]2C(=O)N2Cc3c[nH]nc3C2)cc1C	EMOLS-id_316104675,MCULE-6908548576,ZINC22_615129598	281.352	XFDBCKPSLJRNGU-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044706
CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1Cc2c[nH]nc2C1	EMOLS-id_316101348,ZINC22_615134791,MCULE-4133617489	281.352	VUZPUKDDHKSOTJ-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044707
C=CC(c1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319285722	281.352	YOZVAUXWFWASGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044708
C=CC(c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319549461	281.352	HXCNBOYSFKAWEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044709
CCCCn1cccc1C(=O)c1ccc2n1CCC2C#N	SCHEMBL11346213,PC-id_70568097	281.352	UKNBWBSLFOUXQO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-044710
C=CC(C(=O)Nc1n(C)nc2c1CCC2)c1ccccc1	EMOLS-id_319154286	281.352	VBLZFKCMPFFGQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044711
CCCOC1Cc2c(C1)n(nc2C#N)Cc1ccccc1	SCHEMBL5529740,PC-id_23135147	281.352	YCBOEEVHALMZCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044712
CCOc1ccccc1Cn1nc2CCC(C)c2c1C#N	EMOLS-id_331001279,MCULE-6530240098	281.352	FSCUKXIZQMKTRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044713
CCOc1ccccc1Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331020533,MCULE-3294078287	281.352	BHOZBCYCXKWYJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044714
CCOc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1	EMOLS-id_330999742,MCULE-8471245004	281.352	FYPNAEVMBQNCQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044715
CCOc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1	MCULE-8845451793,EMOLS-id_331018996	281.352	YNCZCWHUBWZHJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044716
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002806,MCULE-7703313321	281.352	BOTLXPOKVSCWHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044717
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005624,MCULE-7092853809	281.352	FBFNSYWCSWYMCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044718
COc1ccccc1C(C)n1nc2CCC(C)c2c1C#N	MCULE-9329536422,EMOLS-id_331002554	281.352	VEZXIMDBURTFRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044719
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1C#N	MCULE-4458211656,EMOLS-id_331001535	281.352	MOOJZFSJYIYYFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044720
COc1ccc(C)cc1Cn1nc(C#N)c2C(C)CCc12	MCULE-8054606044,EMOLS-id_331020789	281.352	WNDRRZRDRMNOIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044721
COc1ccc(C)c(Cn2nc3CCC(C)c3c2C#N)c1	EMOLS-id_331003060,MCULE-2070009159	281.352	VTCOYQXZYINSAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044722
COc1ccc(C)c(Cn2nc(C#N)c3C(C)CCc23)c1	MCULE-6259665528,EMOLS-id_331022329	281.352	QRPKDBXHZOQIKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044723
COc1cccc(Cn2nc3CCC(C)c3c2C#N)c1C	EMOLS-id_331002804,MCULE-8597276154	281.352	FOPGUUWSJDDMCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044724
COc1cccc(Cn2nc(C#N)c3C(C)CCc23)c1C	EMOLS-id_331022073,MCULE-3564009327	281.352	QEFHVBHEVOWTCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044725
COc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1C	MCULE-9972547317,EMOLS-id_331000763	281.352	WJWVTJZWMWUXMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044726
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1C	EMOLS-id_331020017,MCULE-3652060733	281.352	HYSLHNWBVQDQSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044727
COc1cc(Cn2nc3CCC(C)c3c2C#N)ccc1C	MCULE-5382037911,EMOLS-id_330998206	281.352	UDVHDRGLVGLSBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044728
COc1cc(Cn2nc(C#N)c3C(C)CCc23)ccc1C	EMOLS-id_331021555,MCULE-3809511296	281.352	AAAJSJLUITUOCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044729
COCc1ccccc1Cn1nc2CCC(C)c2c1C#N	MCULE-1725262510,EMOLS-id_331003316	281.352	NNRJJEOXWKCBIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044730
COCc1ccccc1Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331018490,MCULE-7584553125	281.352	VGKULKRSVUIGPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044731
O=C(C1(CC1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_320153117,MCULE-1047885392	281.352	WRBWVZUSLUEHTQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044732
O=C(C1(CC1(C)C)c1ccccc1)N1Cc2c(C1)cn[nH]2	MCULE-4541742014,EMOLS-id_316104419	281.352	RZSCNTBRFMZAKP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044733
O=C(c1cccc(c1)C1CC1)NCc1cnc2n1CCC2	MCULE-3962268395,EMOLS-id_320138679	281.352	LNMCPHBRAILYKX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044734
O=C(c1ccc(cc1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319069086	281.352	INZNOHLSMWJFER-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044735
O=C(c1cccc(c1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319919925,MCULE-6433410418	281.352	VKQRDZUZPFFEAL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044736
O=C(c1cnc2n1CCC2)NC1(CC1)Cc1ccccc1	EMOLS-id_318728070	281.352	UOZSPZBTRNMGFM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-044737
O=C(c1n(C)nc2c1CCC2)Nc1cccc(c1)C1CC1	EMOLS-id_320065286,MCULE-7059500779	281.352	BBVWUBKEIPPITL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044738
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)c1ccccc1	PC-id_46981624,RFN-26084125,EMOLS-id_30458767,SYN-26084125,MCULE-2401889346	281.352	SVKJKSMYTPULSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044739
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](c2ccccc2)C1	CoCoCo_514741,ZINC22_19657138,PC-id_51599950,CoCoCo_514739	281.352	SVKJKSMYTPULSD-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044740
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2ccccc2)C1	PC-id_51599951,CoCoCo_514742,ZINC22_19657140,CoCoCo_514740	281.352	SVKJKSMYTPULSD-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044741
O=C(c1n[nH]c2c1CCC2)N(C1CC1)Cc1ccccc1	EMOLS-id_318576138	281.352	JPFNNBDFOOSVJJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-044742
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(CC2CC2)cc1	ZINC22_2325781020	281.352	CDWCYKQZMQGJEB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-044743
CCC(CNC(=O)NCc1nnc2n1CCC2)(CC)O	PC-id_110910055	281.354	PJAIJYWWLACGOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044744
CC(C)(C)OC(=O)NCCC(c1c2NCCn2nc1)N	PC-id_136350088,SCHEMBL4193786	281.354	AOFYZNQLOBZOHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044745
O=C(NC(c1n2CCCc2nn1)C)C(N)CCCOC	PC-id_81083289	281.354	PWTITRWKSLCNTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044746
O=C(N(Cc1n2CCCc2nn1)C)C(N)CCCOC	PC-id_81089229	281.354	VJADXEHDQNEZSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044747
OC(=O)C1CCc2c1nc(s2)NCc1cncs1	PC-id_113512859	281.354	GHBVVUNWQDFXAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044748
OC(=O)C1CCc2c1nc(s2)NCc1cscn1	PC-id_113395783	281.354	SIRQCXCGURGYIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044749
OC(=O)C1CCc2c1nc(s2)NCc1nccs1	PC-id_113395738	281.354	OUZRJKZWNUWHIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044750
[O-][N+](=O)c1cnc(s1)NCc1sc2c(c1)CCC2	PC-id_113734364	281.354	NBZWTBJPFNWAHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044751
O=S(=O)(c1cnc2n1CCS2)Nc1ccccc1	SCHEMBL1590771,PC-id_67088060	281.354	KQCYYBJRLGOVQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044752
s1c2c(nc1NS(=O)(=O)c1ccccc1)CNC2	PC-id_82194098	281.354	UJKIKBVHGPYPKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044753
S1Cc2c(noc2NC(=O)c2sc(nc2C)C)C1	PC-id_49720102	281.354	UHJGQWKFYZWXHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044754
S1Cc2c(noc2NC(=O)NCc2sccc2)C1	PC-id_49720619	281.354	KACFJEWNGQHPFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-044755
S(=O)(=O)(CC1n2c(SC1)nnc2)c1ccccc1	PC-id_12193221	281.354	LQVKITRTTULTSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044756
S(=O)(=O)(N1Cc2sc(nc2C1)N)c1ccccc1	PC-id_82194209	281.354	OLPNUMCETDNDBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044757
Cn1nc(Cn2cccc2)c2c1CN(Cc1ccc[nH]1)C2	ZINC22_96084474,PC-id_97405300	281.356	OAHHGKHGNBNFEG-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-044758
n12CCCc1nnc2C(NC(c1ccc(cc1)C#N)C)C	PC-id_43748137	281.356	AMJWFGLEYIVTTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044759
n12CCCc1nnc2C(NC(c1cc(ccc1)C#N)C)C	PC-id_43791518	281.356	GNVSALUSYBPCDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044760
n12nc(nc1C(=C(C2=NNc1c(cc(cc1)C)C)C)C)C	PC-id_53633397	281.356	UOEOERLKNXTNNJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-044761
N#CCCC(c1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_279084054	281.356	DBQXALISZJPTNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044762
CNc1nnc(s1)C(=O)Nc1sc2c(n1)CCC2	PC-id_80617113,EMOLS-id_315116190	281.357	WECSUZCQZIAXNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044763
O=C(Cc1nnc(s1)N)Nc1sc2c(n1)CCC2	EMOLS-id_319187603	281.357	PDCJXTJCYSCBRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044764
s1c2CN(Cc2nc1N)CC(=O)Nc1sccn1	PC-id_82194336	281.357	WNDZMOBGCQPMDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044765
FC(SCCNCc1sc2c(c1)CCC2)(F)F	PC-id_116615439	281.361	QYCHQVHHVNGTQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044766
c1(NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	BAS-05159781,MCULE-2150480203,CoCoCo_331940,TIMTEC352179,PC-id_3151751,ZINC22_4194034,SPECS-id_AK-968/12116444,EMOLS-id_1463291	281.371	OENRJDWBXQYBFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044767
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_96714,BAS-00570334,PC-id_2787599,ZINC22_3960822,Chemmine_6378,EMOLS-id_1243980,MCULE-8480949266,STOCK1S-77892	281.371	VHHSSELDHOEOGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044768
c1(NC(=O)CCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_3738634,STOCK1S-83880,ZINC22_4821825,MCULE-2611317899,PC-id_3838714	281.371	FFDKVDKDWHRRKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044769
CCCCCC(=O)Nc1sc2c(c1C(=O)O)CCC2	MCULE-7660347266,ZINC22_7156087,CoCoCo_3802489,EMOLS-id_3216168,PC-id_5224815	281.371	QBAQWJOZZPJDOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044770
CCC(CC)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_2080992,ZINC22_2619094,EMOLS-id_31404756,MCULE-3164541957,CoCoCo_3804282	281.371	URHNXJISIWKBJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044771
CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)O)CCC2	ZINC22_7157513,MCULE-6543029671,CoCoCo_3803047,EMOLS-id_3222342,PC-id_3940865	281.371	DESQATDGDJREEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044772
CCCCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	MCULE-9467229405,EMOLS-id_50918999,PC-id_43387031	281.371	FMVIYJRYUBEHQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044773
CCCC[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_113922660	281.371	FMVIYJRYUBEHQD-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-044774
CCCCC(=O)Nc1c(C(=O)OC)c2c(CCC2)s1	MCULE-3885589638,PC-id_4610566	281.371	BEIIFCFKXZJSRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044775
CCC(CC(=O)Nc1sc2c(c1C(=O)O)CCC2)C	PC-id_113644905	281.371	FNSGUFPVQBXNMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044776
CCCC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_65218935,MCULE-2037907340,EMOLS-id_71233971	281.371	DGDDSFUJPUBLCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044777
CCCC(C(=O)O)(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_51128167,MCULE-7510326536,PC-id_43618596	281.371	ZUOLFXLTDWSIQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044778
CC(C[C@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2)C	MCULE-4396704727,PC-id_28116277,EMOLS-id_51374339	281.371	KVHDJLVUORPMBI-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044779
CC(C[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2)C	PC-id_28116279,EMOLS-id_51298870,MCULE-3333643621	281.371	KVHDJLVUORPMBI-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-044780
CC(C)(C)OC(=O)NC(C=O)c1cc2CCCc2s1	MCULE-4521031797,EMOLS-id_313977692	281.371	ZXAVBEDUSKTIBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044781
CC(C)(C)ON1Cc2c(scc2C1=C=O)C(C)(C)O	SCHEMBL9180845,PC-id_88424708	281.371	GGMXVZTVSXWCJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044782
CC[C@@H]([C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_51294465,PC-id_28120324,MCULE-5057466263	281.371	HUPRRXIAFWZJTH-UFBFGSQYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044783
CCC(N(C(=O)c1sc2c(c1)CCC2)CC(=O)O)C	MCULE-6345446597,PC-id_60827890,EMOLS-id_51195196	281.371	OUNBXRLGXLQHML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044784
CC(CN(C(=O)c1sc2c(c1)CCC2)CC(=O)O)C	PC-id_62032822,EMOLS-id_51450250,MCULE-4323642084	281.371	MSCXTQSJMCTNTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044785
CC(C(=O)O)CCCNC(=O)c1sc2c(c1)CCC2	PC-id_104681749	281.371	XBTOVGNQSXFUGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044786
CCN(C(=O)c1sc2c(c1)CCC2)[C@@H]1COC[C@H]1O	EMOLS-id_320210936,MCULE-1600383152	281.371	SSMZEISISQWRQF-GHMZBOCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044787
CC(=O)c1c(NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_331251235	281.371	HQCOLUZEKGUOMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044788
CCOC(=O)C1CCc2c1nc(s2)C(C1CC1)OC	PC-id_116705335	281.371	ORRWOWHPEYMMHI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044789
CCOC(=O)C1CCc2c1nc(s2)CC1CCCO1	PC-id_104287170	281.371	DADCPAVCRUPVCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044790
CCOC(=O)C1CCc2c1nc(s2)CC1COCC1	PC-id_113395612	281.371	BJNQNUQXZBVWBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044791
COc1c(sc2c1CCC2)C(=O)N1CCC(CC1)O	PC-id_91956544	281.371	KUFGLAPIKZDSFA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-044792
COc1c(sc2c1CCC2)C(=O)NCC1CCCO1	PC-id_91956546	281.371	PTLDYVWIIKFVIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044793
CO[C@@H]1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@H]1O	EMOLS-id_44408600,PC-id_110125171,BDE-33841731,MCULE-6935970074,ZINC22_257217638	281.371	CZWXBJAMGPSYNN-GIPNMCIBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044794
COC(=O)c1c2c(CCC2)sc1NC(=O)CC(C)C	EMOLS-id_3218731,MCULE-2483234771,ZINC22_5907205,PC-id_4229073,CoCoCo_2898487	281.371	OAWVJFBGBMXFKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044795
OCC1(C)CC(CN1C(=O)c1sc2c(c1)CCC2)O	EMOLS-id_316514684	281.371	IFCZJFRQCSILFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044796
OCC1CC(N(C1)C(=O)c1sc2c(c1)CCC2)CO	EMOLS-id_319771796	281.371	LUFPUDSURYLPPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044797
OCC1(CCOCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_103954354	281.371	BNDBPERLSJIPSU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-044798
OCC1(CO)CC(C1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_316586421	281.371	PHOQAKLLOLOCQH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-044799
OCC1OC(C)CN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_102934708	281.371	ATYHXPDWPZWCPH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044800
O=C(c1sc2c(c1)CCC2)NCC1COC(O1)(C)C	PC-id_103800973	281.371	AWQCBDWFZWICRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044801
O=C(c1sc2c(c1)CCC2)NCC1(O)CCOC1C	PC-id_107301717	281.371	PEEWRNBGUOEZHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044802
O=C(c1sc2c(c1)CCC2)NCCC(C(=O)O)(C)C	PC-id_121651008,EMOLS-id_71274373,MCULE-4377633090	281.371	AJOXJIWKUDVUDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044803
O=C(c1sc2c(c1)CCC2)N[C@H](C(C)(C)C)C(=O)O	PC-id_113353013	281.371	GHCFPBBQWRPOOW-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-044804
O=C(C(C(C(=O)O)C)C)NCc1sc2c(c1)CCC2	PC-id_103497988	281.371	RUYBSZCRJFPGEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044805
OC(=O)C1CCC(O1)CNCc1sc2c(c1)CCC2	PC-id_113792941	281.371	CUGQVROTRVTMML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044806
OC(=O)CCCCCNC(=O)c1sc2c(c1)CCC2	MCULE-6867538487,PC-id_20115112,EMOLS-id_50913199	281.371	FLASERBZRZWMNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044807
O=C(OC(C)(C)C)Nc1sc(c2c1CCC2)C(=O)C	PC-id_144904557	281.371	QABGUSSXGTUWOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044808
OC(=O)CCC(NC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_62043486,EMOLS-id_51484492,MCULE-9887019371	281.371	WLLORBKEQAHZFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044809
s1c2CCCc2cc1CNC(=O)CCCCC(=O)O	PC-id_61207227	281.371	RGMFJYLDFJZHCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044810
s1c2c(CCC2)cc1CNC(=O)CC(C)(C)C(=O)O	PC-id_65299995	281.371	SLRQDGJJDFDZSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044811
s1c2c(CCC2)cc1CNC(=O)CC(CC(=O)O)C	PC-id_62965436	281.371	DQFPHJWUFYKFNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044812
s1c2CCCc2cc1CNC(=O)CCC(=O)OCC	PC-id_61948068	281.371	GQAUNEYFXKFALZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044813
s1c2c(CCC2)cc1C(=O)N1C(COC(C1)CO)C	PC-id_81208926	281.371	KIHQLQHGZUYWMP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044814
s1c2c(CCC2)cc1C(=O)NCC1(O)CCOCC1	PC-id_79039603	281.371	UULXKUZPEVUMHB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-044815
s1c2CCCc2cc1C(=O)NC(CC(C)C)C(=O)O	PC-id_20113485	281.371	KVHDJLVUORPMBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044816
s1c2c(CCC2)cc1C(=O)NC(C(CC)C)C(=O)O	PC-id_20115115	281.371	HUPRRXIAFWZJTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044817
s1c2c(CCC2)cc1C(=O)NC(C(C)(C)C)C(=O)O	PC-id_43467918	281.371	GHCFPBBQWRPOOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044818
s1c2c(CCC2)cc1C(=O)N(C(C)C)CCC(=O)O	PC-id_54926602	281.371	AXXRIAVBXYLQJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044819
s1c2CCCc2cc1C(=O)NCC(C(C)C)C(=O)O	PC-id_65220405	281.371	OBKKOZQJWUZUSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044820
s1c2c(CCC2)cc1C(=O)N(C(C)(C)C)CC(=O)O	PC-id_79266546	281.371	DQTMGAIKRPBPTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044821
s1c2c(CCC2)cc1C(=O)NC(CC)(CC)C(=O)O	PC-id_79807379	281.371	JLZPMLCARBYPIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044822
s1c2CCCc2cc1C(=O)NCC(CC)CC(=O)O	PC-id_81065663	281.371	VSQPVKRFFJZZIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044823
s1c2CCCc2cc1C(=O)NCC(CC)(C)C(=O)O	PC-id_81942316	281.371	VQFMUBWWSHTZGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044824
s1c2c(CCC2)cc1C(=O)NC(C(C)C)CC(=O)O	PC-id_81979054	281.371	UALYRSALVZRECY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044825
s1c2CCCc2cc1C(=O)NC(CCC)CC(=O)O	PC-id_81981343	281.371	VOEWRTOLKRQIOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044826
s1c2CCCc2cc1C(=O)NC(C(C)C)C(=O)OC	PC-id_43405996	281.371	PANWDRBTCMXOHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044827
s1c2c(CCC2)cc1C(=O)N(C(C)C)CC(=O)OC	PC-id_54945858	281.371	RBDAAOLSWIKZRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044828
s1c2CCCc2cc1C(=O)N(CCC)CC(=O)OC	PC-id_54979690	281.371	PMUWNQDYQODDNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044829
s1c2CCCc2cc1C(=O)NCC(CCC(=O)O)C	PC-id_82008946	281.371	LTUXPMWEKPJTMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044830
s1c2CCCc2cc1C(=O)NC(CCCC(=O)O)C	PC-id_82854466	281.371	BCKYIITTYHFLDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044831
s1c2CCCc2cc1C(=O)N(CC)CC(=O)OCC	PC-id_54900744	281.371	IQMPGZLDMPWZMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044832
s1c2CCCc2cc1C(=O)N(CCCC(=O)OC)C	PC-id_54943047	281.371	PCPDUVDZTQESSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044833
s1c2CCCc2cc1C(=O)N(CC(C)C(=O)OC)C	PC-id_55008540	281.371	FALAIXPHLPHBHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044834
s1c2c(CCC2)cc1C(=O)N(CC(C)C(=O)O)CC	PC-id_55122714	281.371	GXXAQLGVIQVBQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044835
s1c2CCCc2cc1C(=O)NCCCC(=O)OCC	PC-id_60654807	281.371	LTQUURDYWFADDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044836
s1c2c(CCC2)cc1C(=O)N(C(C)(C)C(=O)O)CC	PC-id_62818582	281.371	KLYSOWPBKPYJFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044837
s1c2CCCc2cc1C(=O)NCCC(=O)OC(C)C	PC-id_51256382	281.371	NWJUMCZRSYJLHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044838
s1c2CCCc2cc1C(=O)N(CCC(=O)OC)CC	PC-id_54898931	281.371	FCGSBTUPEHTTFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044839
s1c2CCCc2cc1C(=O)N(CCC(=O)OCC)C	PC-id_61784165	281.371	AKIYJQLBYNKCTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044840
s1c2c(CCC2)cc1C(=O)N(C(CC(=O)O)C)CC	PC-id_62821385	281.371	PQJKNSRGMQBEKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044841
s1c2c(CCC2)cc1C(=O)N[C@@H](C(C)(C)C)C(=O)O	PC-id_61143942	281.371	GHCFPBBQWRPOOW-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044842
s1c2c(CCC2)cc1C(=O)N[C@@H](C(CC)C)C(=O)O	PC-id_61174478	281.371	HUPRRXIAFWZJTH-MYIOLCAUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044843
s1c2CCCc2cc1C(=O)OCC(=O)NC(CC)C	PC-id_45637930	281.371	LLLYIDZISZOOSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044844
s1c2CCCc2cc1C(=O)OCC(=O)NCC(C)C	PC-id_7238791	281.371	DOPUSLMVRFTLBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044845
s1c2CCCc2cc1C(=O)OCC(=O)NC(C)(C)C	PC-id_7291860	281.371	KDGSVIUZCNZUQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044846
s1c2CCCc2cc1C(=O)OC(C(=O)NCCC)C	PC-id_78674846	281.371	IYYAVDHOMSTSNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044847
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](CC)C	PC-id_7291858	281.371	LLLYIDZISZOOSV-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044848
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](CC)C	PC-id_7291859	281.371	LLLYIDZISZOOSV-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-044849
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCCC)C	PC-id_8359207	281.371	IYYAVDHOMSTSNI-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044850
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCCC)C	PC-id_8359209	281.371	IYYAVDHOMSTSNI-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-044851
s1c2c(CCC2)cc1N(C(CC(C)C)C(=O)O)C=O	PC-id_20848138	281.371	YSHHPRSPFSJEOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044852
s1c2c(CCC2)cc1N(CCCCCC(=O)O)C=O	PC-id_20848208	281.371	MWECJWWNTCXZHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044853
s1c2c(CCC2)cc1N(C(C(CC)C)C(=O)O)C=O	PC-id_20848209	281.371	MJMFYLLKWOVUKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044854
s1c2c(CCC2)c(c1NC(=O)C(CCC)C)C(=O)O	PC-id_43145445	281.371	CYAINCRBHLKNGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044855
s1c2c(CCC2)c(c1NC(=O)CCC(C)C)C(=O)O	PC-id_43328012	281.371	UAGMOLORHZSYDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044856
s1c2c(CCC2)c(c1NC(=O)C(CC)(C)C)C(=O)O	PC-id_55102958	281.371	YJRCNBGLEQQNHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044857
s1c2c(CCC2)c(c1NC(=O)C(C(C)C)C)C(=O)O	PC-id_64034896	281.371	SVJDWBITSRVQQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044858
s1c2CCC(c2nc1CC(=O)OC(C)(C)C)C(=O)C	PC-id_58126660	281.371	CDUWQGDCWWEBSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044859
s1c2CCCc2cc1C(=O)C(c1c(cccc1)C)C#N	PC-id_43333933	281.372	KZDRXNXMRJLSMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044860
s1c2CCCc2cc1C(=O)C(c1ccc(cc1)C)C#N	PC-id_62830327	281.372	FFYWKGDMYPNAAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044861
s1c2CCCc2cc1C(=O)C(c1cc(ccc1)C)C#N	PC-id_62830464	281.372	CPNHKGFMHDBHDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044862
c1(NC(=O)CC2CCCOC2)n(C)nc2CSCc12	PC-id_134712721,EMOLS-id_316257801,MCULE-8811103932	281.374	XWYMCUHOHFLCNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044863
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)NCCN	PC-id_39162835,MCULE-9645989469	281.374	WVEKLNOELUNDLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044864
CC1(C)C2C1CN(C2)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242748	281.374	MDVWIBVHXDOOSV-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-044865
CC1(CCC=CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101954364	281.374	CKKDMLXGHPPOMK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-044866
CC1=C(C)CN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100388404	281.374	DSOQCYFVLSXDNE-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-044867
CC1CCC(O1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99840260	281.374	WOXYYWWUGNSHQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044868
CC1CCN(CCS1=O)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100748748	281.374	WRQUJODTGIQVKJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044869
CC1CS(=O)CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100834554	281.374	LPTSUQXADBRXPV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044870
CC1OCC(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99986296	281.374	CNRUITYZRDYJQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044871
CCCCNC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_43883558,MCULE-8263900579,SCHEMBL8289711,ZINC22_7158624,CoCoCo_3483774,PC-id_3953516	281.374	OMIYCIUSVHFQEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044872
CC(C)(C)OC(=O)N1Cc2cn(nc2C1)SC1CC1	PC-id_90915013	281.374	NBQQXLLPTRNQRM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044873
CCOC(=O)c1scc2c1C[N@H+](C2)CC1=[NH+]CCN1	GLL_PC-id_15228207	281.374	MDRRHLMLSUGOCW-UHFFFAOYSA-P	00000011100000000001000010000000000000000000000000000000	25-01-044874
CN1CCC(C1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288028	281.374	GDMAOFOJSPJSLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044875
CN1CCCC1CNc1nc2c(s1)CCC2C(=O)O	PC-id_114138011	281.374	BATSLLOJVMOIIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044876
CN1CCCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288078	281.374	JYSBUJJJOHMJEH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044877
CN1CCC(CC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_113395694	281.374	VOKYWSYBZLQEBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044878
Cn1nc2c(c1NC(=O)C[C@H]1CCCOC1)CSC2	ZINC22_1529191381	281.374	XWYMCUHOHFLCNW-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044879
Cn1nc2c(c1NC(=O)C[C@@H]1CCCOC1)CSC2	ZINC22_1529191429	281.374	XWYMCUHOHFLCNW-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-044880
CN(C(=O)c1[nH]c2c(c1)CCC2)C1CCS(=N)(=O)C1	EMOLS-id_319313204	281.374	QXJBGLXABHIOPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044881
COCC1(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99836458	281.374	FBAJDUXBCZTVML-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044882
COCC1=Nc2n(S1C(=O)C1CCCCC1)cnc2	SCHEMBL20744678	281.374	JBZJMGMHCUBBGR-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-044883
CON1CCC(CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319187414	281.374	CVXNTFGHYJARIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044884
NCC1(CCOCC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_115439502	281.374	TWNPYIHSQAOIPC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044885
OC1CCCN(C1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_110906731	281.374	KGUSFZACOCSYGL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044886
OC1CCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882634	281.374	FXFLLWURXLEWNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044887
OC1CN(C(C1)(C)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_316474365	281.374	PIAQHWHMCSYIGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044888
O=C(C1CC1)Nc1n(nc2c1C[S@](=O)C2)C(C)(C)C	PC-id_40514521,CoCoCo_4985079	281.374	OVIRCCBGOOJYIH-IBGZPJMESA-N	00100010100000000001000010000000000000000000000000000000	25-01-044889
O=C(C1CC1)Nc1n(nc2c1C[S@@](=O)C2)C(C)(C)C	PC-id_40768433,CoCoCo_4985080	281.374	OVIRCCBGOOJYIH-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044890
O=C(c1cc2n(n1)CCO2)N1CCSC(CC1)(C)C	EMOLS-id_102560290	281.374	KPFAWRAUVCVUOS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044891
OCC1CCN(C1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111543622	281.374	OCLPIQRHJDTRKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044892
O=C(C1CCOC1C)NCCc1cn2c(n1)SCC2	EMOLS-id_99842384	281.374	OAFYOKZPUUADJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044893
O=C(C1(C)COCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99819052	281.374	QODFPYZSPKKSIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044894
O=C(c1n[nH]c2c1CCC2)NCC1(O)CCSCC1	PC-id_111485002	281.374	OCHPAJCJCJHVIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044895
O=C(CC1COCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99830242	281.374	ADBDPKKXXXBFJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044896
OC[C@H]1CCCN1CC(=O)Nc1sc2c(n1)CCC2	PC-id_111434315	281.374	FXADEZUEDNHCEW-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044897
O=C(CN1CCC(O)CC1)Nc1nc2c(s1)CCC2	EMOLS-id_44497794,MCULE-2311910842,PC-id_47279183,ZINC22_48554229	281.374	MVWPJSSAQTXUDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044898
O[C@H]1CCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102885462	281.374	FXFLLWURXLEWNB-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044899
O=C(N1CCCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007290	281.374	KJWLSODPZRJHPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044900
O=C(N1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882661	281.374	MAYCHZJZKRPHED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044901
O=C(NC(C)(C)C)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8290656,PC-id_60001347	281.374	HRJKCRVUKSYYMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044902
OC(=O)C1CCc2c1nc(s2)NCCN1CCCC1	PC-id_113395766	281.374	ZJPDCRYXLNLFGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044903
OC(=O)C1CCc2c1nc(s2)NCCN(C1CC1)C	PC-id_113395772	281.374	CTRVOWZAWVZQFP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044904
ON=C(C(CNC(=O)c1sc2c(c1)CCC2)(C)C)N	PC-id_104873734	281.374	TTXAZHACOAJKPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044905
O=S1C(C)CN(CC1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102389927	281.374	VHZUTTLTWGFGND-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044906
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)C1CC1	EMOLS-id_100226524	281.374	QBUBPHLVPNDSER-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-044907
O=S(=O)(c1cnc2n1CCC2)NC(C1CC1)C1CC1	EMOLS-id_100199121	281.374	BALACZHMLMBKSV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044908
O=S(=O)(c1cnc2n1CCC2)NCC1CCC=CC1	EMOLS-id_100194762	281.374	KWZPUZKGMZPQSG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-044909
O=S(=O)(c1cnc2n1CCC2)NCC1=CCCCC1	EMOLS-id_101325072	281.374	PRPDJMYTHCJGMD-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-044910
s1c2c(CCC2)cc1CNC(C)C(=O)NC(=O)NC	PC-id_61206685	281.374	NZGALGRNJFWPMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044911
s1c2c(CCC2)cc1C(=O)NC(CC)(C)C(=NO)N	PC-id_61133586	281.374	IODBVWSHXRKVMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044912
s1c2CCCc2cc1C(=O)NC(CCC)C(=NO)N	PC-id_61134897	281.374	RNSNJMNCCOVLLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044913
s1c2CCCc2cc1C(=O)N(CCC)C/C(=N/O)/N	PC-id_61878971	281.374	SPNYBCLJGSUZHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044914
s1c2CCCc2cc1C(=O)NC(CC)C/C(=N/O)/N	PC-id_62653453	281.374	FJWDYBVKUQUXRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044915
s1c2CCCc2cc1C(=O)NCCCCC(=NO)N	PC-id_64421349	281.374	HNZMWMVTNVNOAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044916
s1c2CCCc2cc1C(=O)NC(C(C)C)/C(=N/O)/N	PC-id_64425360	281.374	QPSMSTVMSHOMFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044917
s1c2c(CCC2)cc1C(=O)N(C(C)C)C/C(=N/O)/N	PC-id_64475173	281.374	MZARQEYZJGJQPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044918
s1c2CCCc2cc1C(=O)N(CC(C)/C(=N/O)/N)C	PC-id_54992085	281.374	MXXROICYGDQMBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044919
s1c2CCCc2cc1C(=O)N(CC/C(=N/O)/N)CC	PC-id_54992900	281.374	NRTRTZLKUGFKLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044920
s1c2c(CCC2)cc1C(=O)N(C(C/C(=N/O)/N)C)C	PC-id_55173762	281.374	BJWXMYIQLZHFRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044921
s1c2CCCc2nc1NC(=O)C1C(NCC)COC1	PC-id_66258132	281.374	WMNCLONWOKRVLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044922
s1c2CCCc2nc1NC(=O)CN1CC(OCC1)C	PC-id_47281902	281.374	ITEWWZVEKAUVSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044923
s1c2CCCc2nc1NC(=O)COC1CCNCC1	PC-id_63875719	281.374	KOVZBMOARPFYSR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044924
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C1CC1	PC-id_756288	281.374	OVIRCCBGOOJYIH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-044925
s1c2CCCc2c(c1/N=C/Nc1ccc(cc1)C)C#N	PC-id_10564784	281.375	QAZCNYBFEXNZLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-044926
c1(CN)c2CSCc2sc1I	MCULE-7519208502,EMOLS-id_331062828	297.18	MRCQFPHCRJYULD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056788
CC1CSCCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_102530056	281.377	VEWCWWJYHKHRDA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044927
NC(=NCCc1cn2c(n1)SCC2)N1CCOCC1	PC-id_120363236	281.377	AQAMLIIPWOTMMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044928
O=C(N1CCSCCC1)NCc1nnc2n1CCC2	EMOLS-id_97961020	281.377	ZOWUMGWCWXJZSL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-044929
S1CCn2c(NC(=O)CCC3CCNCC3)nnc12	PC-id_73293050	281.377	XGWXRNCKMQNTJY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044930
S1CC(NCC1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_82906827	281.377	OHQNMTKWWDANGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044931
S1CC(NCC1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_82909149	281.377	YAKWHUZDWOOGBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-044932
CNCCC(OC1CCc2c1occ2)CCOCCC	PC-id_143453702	281.39	ZEIWPFDZQPQYFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044933
C1CC(C(C1)c1ccccc1)CNC1CCn2c1ncc2	MCULE-2064187187,EMOLS-id_318368824	281.395	PLKPRGKEANJYLY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044934
c1ccc(cc1)C1(CCCC1)CNC1CCn2c1ncc2	EMOLS-id_318224096,MCULE-6974244479	281.395	ZHDKCUQQUHVLTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044935
c1ccc(cc1)C(C1CCCC1)NC1CCn2c1ncc2	EMOLS-id_318088250	281.395	NGDBHAOWOLNOCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044936
C1C[C@H]([C@H](C1)c1ccccc1)NCc1cnc2n1CCC2	MCULE-9990196189,EMOLS-id_319909691	281.395	JSGYLQXCOJRUGB-IAGOWNOFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044937
CC1(C)CC1(CNC1CCn2c1ncc2)c1ccccc1	MCULE-3351893339,EMOLS-id_318356560	281.395	KJMVPXALHZQRAB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044938
CC1(CC(C1)NCc1cnc2n1CCC2)c1ccccc1	EMOLS-id_317952754	281.395	UAJVDCVABCDEOU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044939
CC1(C)CC1(NCc1cnc2n1CCC2)c1ccccc1	MCULE-9543343187,EMOLS-id_318249323	281.395	NRBXPWPCUMRNDO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044940
CC1CCc2c1c(CN)nn2Cc1cccc(c1)C1CC1	EMOLS-id_331015156,MCULE-5556347236	281.395	VAPWSYAICAUYDX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044941
CC1CCc2c1c(CN)nn2Cc1ccccc1C1CC1	MCULE-1632991446,EMOLS-id_331015923	281.395	UTJPLMYLAMIAJR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044942
CC1CC(c2n1ccn2)NC1CC(C1)(C)c1ccccc1	EMOLS-id_318357561,MCULE-2230372976	281.395	HNRGXJBXIALXCV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044943
CC1CC(c2n1ccn2)NC1CCCC1c1ccccc1	EMOLS-id_318146140,MCULE-4229709065	281.395	RQSWSSCBBQOZCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044944
CC1CC(c2n1ccn2)NCC1(CCC1)c1ccccc1	MCULE-1866003582,EMOLS-id_318227650	281.395	MOMGXDJIVGNAHD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044945
CC1CC(c2n1ccn2)N[C@@H]1CCC[C@@H]1c1ccccc1	EMOLS-id_320330501	281.395	RQSWSSCBBQOZCW-JCUPBUFNSA-N	00000010100000110001100010000000000000000000000000000000	25-01-044946
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(CN)c12	MCULE-3043154721,EMOLS-id_330996926	281.395	WAAXDPVAUXEJAU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044947
CC1CCc2nn(Cc3ccccc3C3CC3)c(CN)c12	MCULE-9844917774,EMOLS-id_330997693	281.395	UAUSVJKNTYPHAU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044948
Cc1ccccc1C1CC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318080310,MCULE-6120476690	281.395	OJIJSFWMSQZXQA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044949
Cc1ccc(cc1)C1CC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318328368,MCULE-2165614743	281.395	GMTXJBGLWPQOSJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044950
Cc1ccccc1C1(CNC2CC(n3c2ncc3)C)CC1	EMOLS-id_318224592,MCULE-1436165292	281.395	FPWKGIDTFMFBIE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044951
Cc1ccc(c(c1)C)C1(CNC2CCn3c2ncc3)CC1	MCULE-3639589263,EMOLS-id_317990669	281.395	OKJAPWVYBOPWON-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044952
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1N	EMOLS-id_331013033,MCULE-9035968077	281.395	NJEFNDKYGMHTEI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044953
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1N	MCULE-1350848484,EMOLS-id_331011244	281.395	CPTHWOJYAIWBRB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044954
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1N	MCULE-7820596758,EMOLS-id_331013293	281.395	RXECPDWBRMJSPR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044955
CC(c1nn2c(c1)CCC2)NC1(CC1)c1ccccc1C	MCULE-6476265724,EMOLS-id_318145647	281.395	QEEWTZIUXZPBJC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044956
CC(c1nn2c(c1)CCC2)NC1(CC1)Cc1ccccc1	EMOLS-id_318102520	281.395	FBXAISGRWIEPDT-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-044957
CC(c1nn2c(c1)CCC2)NC1CC(C1)c1ccccc1	EMOLS-id_318369352,MCULE-2436484219	281.395	OTSQRPUMOBPJEF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044958
CC(c1nn2c(c1)CCC2)NC1(CCC1)c1ccccc1	MCULE-4045889246,EMOLS-id_318369351	281.395	XOBYKXCJLYGHLO-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044959
CC(c1nn2c(c1)CCC2)N[C@@H]1C[C@H]1c1ccccc1C	MCULE-4262673260,EMOLS-id_320143119	281.395	BRHOIGHXNWHIPN-VQGXLBNPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-044960
CC(c1nn2c(c1)CCC2)N[C@@H]1C[C@H](C1)c1ccccc1	EMOLS-id_320074723	281.395	OTSQRPUMOBPJEF-QBIRGWOPSA-N	00001010100000110001100010000000000000000000000000000000	25-01-044961
n12nnc(c1/C(=C(c1ccccc1)/C)/CC2)CCCCC	PC-id_11536468	281.395	ZCTHXNQTKKUJNP-PEZBUJJGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044962
n12nnc(c1C(=C(c1ccccc1)C)CC2)CCCCC	PC-id_72998885	281.395	ZCTHXNQTKKUJNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-044963
C[C@@H](CNCCN1Cc2c(C1)cn(n2)CC(O)(C)C)N	PC-id_144161517	281.397	SMJVVAQLKFWIAT-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-044964
COc1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_113809140	281.397	HPZNOCYRVLETAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044965
NC(=S)C1(CCC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314936669,PC-id_80589808	281.397	JHYUZBGGLBPOOV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-044966
CCCCC(C(=O)OC)NCc1sc2c(c1)CCC2	PC-id_113792938	281.414	ZRHAZBCLIKXOMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044967
CCCC(CNC(=O)c1sc2c(c1)CCC2)CCO	PC-id_103773039	281.414	XHFUBTCYRHPCCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044968
CC(CC(CNC(=O)c1sc2c(c1)CCC2)(C)C)O	PC-id_112113883	281.414	GAQODMZHWXYSSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044969
CCC(C(CNC(=O)c1sc2c(c1)CCC2)O)CC	PC-id_103770571	281.414	WKXJIYABMMFMQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044970
CCC(CNC(=O)c1sc2c(c1)CCC2)(CO)CC	PC-id_103843510	281.414	XRIPLNTYFDUKKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044971
CCOC1CC(C1OC)NCc1sc2c(c1)CCC2	PC-id_104009903	281.414	FZNUXDWUKVWHSU-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-044972
O=C(c1c(N)sc2c1C(C)CC2(C)C)OC(C)(C)C	PC-id_106662938	281.414	WPTIVBSICMINNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044973
OCCC(C(C)(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_103941035	281.414	GFDXLWRCJVQBON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044974
OCC(CC(C)(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_112385095	281.414	KJDPUPRGQHMQPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044975
OCCCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_103899688	281.414	XESQQAYDGOXAOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044976
OCC(CCCNC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_112304433	281.414	JXPRCOVVYAHOCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044977
OC[C@H](C(C)C)NC(=O)[C@@H]1c2sccc2CC1(C)C	PC-id_101344743	281.414	ATIUTEZBBMBRRL-NEPJUHHUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044978
OC[C@H](C(C)C)NC(=O)[C@H]1c2sccc2CC1(C)C	PC-id_101344744	281.414	ATIUTEZBBMBRRL-VXGBXAGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044979
O=C(OC(C)(C)C)CCNCc1sc2c(c1)CCC2	PC-id_113792942	281.414	OHYWIJDKJKYUQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044980
O=C(OC(C)(C)C)Nc1csc2c1C(C)CC2(C)C	PC-id_106664699	281.414	JXJBPPRADYHPIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044981
s1c2c(CCC2)cc1CNC(CCC)C(=O)OCC	PC-id_83041095	281.414	WZMURYVZAJDXER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044982
s1c2c(CCC2)cc1CNCC(O)COCC1CC1	PC-id_61207973	281.414	LPORNOJQMWPFHE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-044983
s1c2c(CCC2)cc1CNC(C(=O)OC(C)(C)C)C	PC-id_66339411	281.414	MVWZODOMNGXTTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044984
s1c2c(CCC2)cc1C(=O)N(C(CC)CC)CCO	PC-id_54993889	281.414	OFTOBEUMMDOWDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044985
s1c2c(CCC2)cc1C(=O)NCC(O)(CC(C)C)C	PC-id_66181112	281.414	JNFLERJLEQQCOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044986
s1c2C(OC(c2c(c1N)C(=O)C(C)(C)C)(C)C)(C)C	PC-id_79916557	281.414	IBJRFNYQEOILQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044987
c1(NC(=O)C(C)(C)C)c2CSCc2nn1C(C)(C)C	CoCoCo_4982342,PC-id_5094734,ZINC22_425755,EMOLS-id_29770769,MCULE-5423855060	281.417	WXCAFRLOZPCYGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044988
c1(NC(=O)CC(C)C)c2CSCc2nn1C(C)(C)C	ZINC22_189463,PC-id_5096501,ChEMBL-DNDi_CHEMBLF0396-0344,CoCoCo_4972768,SCHEMBL4879169,EMOLS-id_5426443,MCULE-6859042986	281.417	PZNDGWBZLJVUGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044989
c1(NC(=O)CCCC)c2CSCc2nn1C(C)(C)C	ZINC22_3892398,Chemmine_40078,PC-id_4225476,ChEMBL-DNDi_CHEMBLF0396-0010,MCULE-6976342884,EMOLS-id_5426029,CoCoCo_4972552	281.417	ZNDVVRGOMIIMTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044990
CCC1=Nc2n(S1C(C1(C)CCCCC1)O)cnc2	SCHEMBL20743372	281.417	DACGDDKLARFLHU-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-044991
CCC1=Nc2n(S1C(CC1CCCCC1)O)cnc2	SCHEMBL20744477	281.417	NEFGHMKCDKZZJU-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-044992
CCC1=Nc2n(S1[C@@H](CC1CCCCC1)O)cnc2	SCHEMBL20744002	281.417	NEFGHMKCDKZZJU-AWEZNQCLSA-N	00000011100010000001000010000000000000000000000000000000	25-01-044993
CCC1=Nc2n(S1[C@H](CC1CCCCC1)O)cnc2	SCHEMBL20744479	281.417	NEFGHMKCDKZZJU-CQSZACIVSA-N	00000011100010000001000010000000000000000000000000000000	25-01-044994
CCCC1=Nc2n(S1C(C1CCCCC1)O)cnc2	SCHEMBL20744208	281.417	FTZJMTGZAHJTDR-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-044995
NC(CC(C)(C)C)CC(=O)Nc1sc2c(n1)CCC2	PC-id_116275321	281.417	OACZNJCRTMPGOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044996
NCC(C(=O)Nc1sc2c(n1)CCC2)CC(C)(C)C	PC-id_107471934	281.417	ZITQDEWWTFBMNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044997
OC(CN1CCCC1)CNCc1sc2c(n1)CCC2	PC-id_109948533	281.417	YUYNDDFXVXKNGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-044998
s1c2c(CCC2)cc1CNCCC(C)(C)/C(=N/O)/N	PC-id_65250506	281.417	ILMMZLBRUDOIQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-044999
s1c2CCCc2nc1NC(=O)CC(CC(C)C)CN	PC-id_65502500	281.417	AUMIWAYYRLTSTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045000
s1c2CCCc2nc1NC(=O)CCC(CCN)CC	PC-id_64343681	281.417	VRLQTGDSNJMOHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045001
s1c2CCCc2nc1NC(=O)CCC(CCN)(C)C	PC-id_65292419	281.417	NEPHUYMWDYSAJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045002
s1c2CCCc2nc1NC(=O)C(CCCC(N)C)C	PC-id_65292420	281.417	MSBBKONWPOGLRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045003
s1c2CCCc2nc1NC(=O)C[C@H](CC(C)C)CN	PC-id_65502501	281.417	AUMIWAYYRLTSTD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-045004
s1c2C(OC(c2nc1CN1CCNCC1)(C)C)(C)C	PC-id_79916346	281.417	OVBCZQOCTHOWRW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045005
S1Cc2c(sc(c2)C(=O)NCc2sccc2)C1	PC-id_4252297	281.417	SNVCXHKVOKOZGM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-045006
CC1CCCCC1NC(=O)c1sc2c(c1)CSC2	CK3120859,PC-id_6624367	281.437	QHRSLDXTXROTMA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-045007
CC1CCSCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_102583930	281.437	OWIWBVCNBBZOQC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-045008
CC1CSCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102596318	281.437	HZHUHRXLXAUQTI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-045009
CC1SCCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102445197	281.437	XYUPIUJZCFHSFW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-045010
C[C@@H]1CC[C@@H](CC1)NC(=O)c1sc2c(c1)CSC2	CoCoCo_2684314	281.437	KJOLXXVMEITKSG-JGZJWPJOSA-N	00000010100010000000000010000000000000000000000000000000	25-01-045011
C[C@@H]1CC[C@H](CC1)NC(=O)c1sc2c(c1)CSC2	CoCoCo_2684315	281.437	KJOLXXVMEITKSG-HOMQSWHASA-N	00000010100010000000000010000000000000000000000000000000	25-01-045012
s1c(C(=O)NC2CCC(CC2)C)cc2c1CSC2	PC-id_4252295	281.437	KJOLXXVMEITKSG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-045013
CCCCCCCCCCn1sc2c(c1=O)CCC2	SCHEMBL10549606,PC-id_20031464	281.457	IGIRKPBHWPIQTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045014
CCCNC(c1sc2c(c1)CCC2)C(CCOC)C	PC-id_105044385	281.457	ZWVWPHBIDLLZCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045015
CCNC(c1sc2c(c1)CCC2)CCC(OC)(C)C	PC-id_103031154	281.457	PFHKMYVKXRSRTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045016
S1CC(CC(NCc2sc3c(CCC3)c2)C1)(C)C	PC-id_79958636	281.48	NTYUGCGJCLMUED-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-045017
S1CC(NCc2sc3c(CCC3)c2)C(CC1)(C)C	PC-id_79948022	281.48	DDTFFPMGNOECQU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-045018
n12ncnc1sc(=Cc1c(cccc1F)Cl)c2=O	MCULE-7601384532	281.693	BCGOWYXZXIVDSO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-045019
c12CN(Cc1nn(C(C)(C)C)c2Cl)CC(F)(F)F	EMOLS-id_324342368,MCULE-4657490812	281.705	HLYSFFXQDYFYFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045020
Clc1cnc(c(c1)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318136531,MCULE-9104031310	281.717	DYSSUBWLAFFZCZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045021
Clc1c(OCc2nn3c(SCC3=O)n2)cccc1	PC-id_82357969	281.718	PNJBTLBYIDYDFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045022
n12C(=O)CSc1nc(COc1ccc(cc1)Cl)n2	MCULE-3949859355,PC-id_82357953	281.718	VDSQBDCXYVVBMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045023
FC(C1(CC1)NC1CCc2c1cc(s2)Cl)(F)F	PC-id_106210309	281.725	RBRDRMSCVBTBTG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-045024
COC(=O)N1CCc2c1sc(c2)S(=O)(=O)Cl	PC-id_98770382	281.736	XVRIHNANVBQYDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045025
C1c2c(CN1CCn1cc(cn1)Cl)n(nc2)CCO	MCULE-1438457470,EMOLS-id_55615535,PC-id_91830302	281.741	JQSDCSVBWMUATC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045026
ClC1=CCCN(C1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316661527	281.741	OLPPHWGZZCCVHX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-045027
FC(COCCNC1CCc2c1cc(s2)Cl)F	PC-id_113773166	281.75	IVZRKEWWQIKPTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045028
ClCc1ccc(o1)C(=O)Nc1sc2c(c1)CCC2	PC-id_93812896	281.758	QFILVLQURZPYBH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-045029
O=C(c1ccoc1Cl)NCc1sc2c(c1)CCC2	PC-id_113864661	281.758	NMDCJCUULFNSHJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-045030
C1Cc2c(C1)sc(c2)CNc1c(c(=O)[nH]cn1)Cl	PC-id_136974584	281.761	SMWZDDLGVCRQLE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045031
Clc1ccc(s1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_30859097,EMOLS-id_24910386,CoCoCo_5272999	281.761	YTUJFAOTGDAZJV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045032
Clc1ccc(s1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318837504	281.761	MVGDUNPQRRNJIW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045033
Clc1ccc(s1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319515652	281.761	KOANBHBRLJHPJL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045034
Clc1c(cn[nH]c1=O)NCc1sc2c(c1)CCC2	PC-id_78978473,EMOLS-id_314900969	281.761	YKZYVYRULNHPBS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045035
Clc1csc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319076593	281.761	CGIIQQBWCKNDKH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045036
Clc1scc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319794336	281.761	HRYGHCIETSCXFT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045037
O=C(c1ccsc1Cl)NCc1cnc2n1CCC2	EMOLS-id_319337047	281.761	DRSCNTRILALWJO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045038
O=C(c1ccsc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319106426	281.761	ZYWRLUDKYPTEEE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045039
O=C(c1n[nH]c2c1CCC2)NCc1cscc1Cl	EMOLS-id_316698946	281.761	WEHQQBNAOFJHHH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045040
O=C(c1sccc1Cl)NCc1cnc2n1CCC2	MCULE-1625507635,EMOLS-id_319959825	281.761	FWWYZXBERZBSKS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045041
O=C(c1sccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319537588	281.761	HPDBKZCUFYYRCE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045042
Clc1cncnc1NCCc1cn2c(n1)SCC2	EMOLS-id_318291196,MCULE-5338782847	281.764	MQHBTRRBRAUSPC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045043
Clc1cnc(nc1)NCCc1cn2c(n1)SCC2	MCULE-6156034704,EMOLS-id_318239806	281.764	SHGXGHYBEXYNGZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045044
Clc1cc2c(s1)CCC2Nc1c(C)cccc1F	PC-id_116467910	281.776	JGKIFESJWBLQRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045045
Clc1ccc(c(c1)F)C(c1sc2c(c1)CCC2)N	PC-id_105022494	281.776	RQCUHVOLAMLUHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045046
Clc1sc2c(c1)C(CC2)Nc1cccc(c1F)C	PC-id_114254498	281.776	LKYBOOQZPXLEHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045047
Clc1sc2CCC(Nc3cc(ccc3F)C)c2c1	PC-id_81251502	281.776	UYXHYAVYAKRRFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045048
Clc1sc2CCC(Nc3c(ccc(F)c3)C)c2c1	PC-id_81251936	281.776	OGXKFJWZPTYNLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045049
Clc1sc2CCC(Nc3cc(cc(F)c3)C)c2c1	PC-id_81252714	281.776	DLTPQMQMPZVBCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045050
Clc1sc2CCC(Nc3c(cc(F)cc3)C)c2c1	PC-id_81252568	281.776	RUWOIAMWCONDKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045051
Clc1sc2CCC(Nc3cc(c(F)cc3)C)c2c1	PC-id_81252915	281.776	KTQRMWLCSBOIAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045052
Clc1sc2CCC(Nc3c(c(F)ccc3)C)c2c1	PC-id_81251617	281.776	GOLCNUKTAQYWMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045053
Clc1sc2CCC(Nc3cc(F)c(cc3)C)c2c1	PC-id_81252267	281.776	YJBMAJANKZOZKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045054
Clc1sc2CCC(Nc3c(F)cc(cc3)C)c2c1	PC-id_81252780	281.776	YODAZBJVIXLCDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045055
Clc1sc2c(C(NCc3ccc(F)cc3)CC2)c1	PC-id_81252881	281.776	NAGAKDZGGQEGFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045056
Clc1sc2c(C(NCc3cc(F)ccc3)CC2)c1	PC-id_81251834	281.776	LQKIWQVUBQFXBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045057
Clc1sc2c(C(NCc3c(F)cccc3)CC2)c1	PC-id_81251495	281.776	ULDBADAWZIHWHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045058
Fc1ccc(c(c1)C(c1sc2c(c1)CCC2)N)Cl	PC-id_105397405	281.776	ARNUVVUYTJZUFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045059
ClC1CCC(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319043983	281.781	MEZXZWWWWKSNRR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045060
ClC1CCC(CC1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319585171	281.781	GPYQSOYSQBCSOX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045061
ClCS(=O)(=O)NCCc1nc2SCCn2c1	PC-id_7640565	281.783	LSBCBNLPUMPLRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045062
Clc1sc2c(C(NC(c3oc(cc3)C)C)CC2)c1	PC-id_81252386	281.801	PIIBWOQYLNFDCT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-045063
Clc1sc2c(C(NC(Cc3occc3)C)CC2)c1	PC-id_81252483	281.801	QOCWXRIVOUDVRX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-045064
Cc1cnn(c1)CCNC1CCc2c1cc(s2)Cl	PC-id_113342569	281.804	XJVKBKWQEIDQDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045065
CCc1nn(cc1NC1CCc2c1cc(s2)Cl)C	PC-id_103932616	281.804	ULQSYHKHSCNFLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045066
CCC(c1ncc[nH]1)NC1CCc2c1cc(s2)Cl	PC-id_116330140	281.804	SUYBLXXEATUCOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045067
CCn1ncc(c1C(c1sc2c(c1)CCC2)N)Cl	PC-id_105040521	281.804	AAUNWIHUJRDOBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045068
Clc1ccc(s1)CCNC1CC(n2c1ncc2)C	MCULE-5870787884,EMOLS-id_317972658	281.804	GRCYKMVCHWMTHC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045069
Clc1ccc(s1)CNC(c1nn2c(c1)CCC2)C	MCULE-4706997427,EMOLS-id_318372676	281.804	QYFOZNXDGVQQAJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045070
Clc1cnc(n1C)CNCc1sc2c(c1)CCC2	PC-id_61208364,EMOLS-id_314854059	281.804	DUBXBYLHRXEVSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045071
Clc1sc2c(c1)C(CC2)Nc1ccn(n1)C(C)C	PC-id_114251950	281.804	BWKSQLAWVJNFQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045072
Clc1sc2c(c1)C(CC2)NCc1cnn(c1C)C	PC-id_103905360	281.804	JFQQBDACVTZAEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045073
Clc1sc2c(c1)C(CC2)NCCc1ccnn1C	PC-id_113442354	281.804	WIKSZRPCPTWOKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045074
Clc1sc2c(c1)C(CC2)NCCCc1ncc[nH]1	PC-id_116332603	281.804	MIEMDFULFMSJEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045075
Clc1sc2c(c1)C(CC2)NCCCn1cccn1	PC-id_104442766	281.804	VTVWRJJHRKPJQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045076
Clc1sc2CCC(Nc3cn(nc3)C(C)C)c2c1	PC-id_81251741	281.804	ZEHIONXWTSPZGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045077
Clc1sc2c(C(Nc3c(n(nc3C)C)C)CC2)c1	PC-id_81252270	281.804	NZXKMOZIMZIZAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045078
Clc1sc2c(C(NCCc3cn(nc3)C)CC2)c1	PC-id_81252926	281.804	CRNLFMWCESGTJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045079
Clc1sc2c(C(NCCc3n(ccn3)C)CC2)c1	PC-id_81251421	281.804	VHGSDIMYEAHHAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045080
Clc1sc2c(C(NCCCn3ccnc3)CC2)c1	PC-id_81252575	281.804	GYGYZQGWYRGUCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045081
Clc1sc2c(C(NC(Cn3ccnc3)C)CC2)c1	PC-id_81253002	281.804	ISXWQYNOPARTTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045082
Clc1sc2c(C(NC(Cn3nccc3)C)CC2)c1	PC-id_81252903	281.804	XRVZZFJQADPMPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045083
Cn1ccc(n1)CCNC1CCc2c1cc(s2)Cl	PC-id_104629195	281.804	LCNRPCBVCZHOAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045084
Cn1nc(c(c1)CNC1CCc2c1cc(s2)Cl)C	PC-id_112668554	281.804	JNBNBUUMKRGHCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045085
CNC(c1c(Cl)cnn1C)c1sc2c(c1)CCC2	PC-id_105046316	281.804	MJSJEMHUTDXIGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045086
Clc1sc2c(C(NCC(C3CC3)C3CC3)CC2)c1	PC-id_81252922	281.844	MXJZHKZVTAULAH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-045087
Clc1sc2c(C(NCCC3=CCCCC3)CC2)c1	PC-id_81252043	281.844	HGCBNGRFGYXWSA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-045088
Brc1n2CC(Oc2nc1Br)C	PC-id_11254541	281.933	ZQTWRNDUFKCLSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045089
[Sn](C1n2c(C(=C1)C)ccc2)(C)(C)C	PC-id_86202886	281.96	DPEHQEQLNFKMDH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-045090
Brc1c2CCCc2sc1Br	PC-id_71670900	281.996	ZGHGDLCNHMHUHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045091
Brc1sc(Br)c2CCCc12	SCHEMBL14327180,PC-id_71141589	281.996	IMEXZDZDCWYRDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045092
C=C/C(=C(C(=C)Br)/F)/C1=CN2CCCC2=N1	PC-id_153601461	282.017	XRUAGQACBZVMMV-XFXZXTDPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045093
CC(=O)CC1=C(C2=C(S1)C(OC2(C)C)(C)C)C(=O)O	PC-id_161855988	282.093	XZRMXAQDSANNFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045094
Brc1cnc(nc1)Nc1cnn2c1OCC2	SCHEMBL18421742	282.097	XAEGPWDYFZFGMO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045095
c1(CO)c2COCc2sc1I	MCULE-1459860192,EMOLS-id_331064609	282.099	FFTIJBOSSFTRQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045096
C1CC2=NC=NN2[C@@H]1COC3=CC=CC=C3C4=NC=NN4	MCULE-2716328564,PC-id_154765052,EMOLS-id_317292533	282.123	CTCNLWVNWJKEFB-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-045097
Cc1sc(c2c1N=S=N2)I	SCHEMBL19603541	282.125	UXHHREIPLVWTME-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-045098
Clc1c(C(=O)N2CCn3c2ncc3)c(Cl)ccc1	PC-id_12438605	282.125	KMTOCDGBGWVFCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045099
FC(CNC1CCc2c1cc(s2)Br)F	EMOLS-id_262237230	282.148	BGUCULAZBWQUKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045100
CN1CC2=C(C1)N(N=C2)CCN3CC(CC3C(=O)O)F	PC-id_155265931	282.149	JPAYILIDNNMCGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045101
Clc1cccc(c1Cl)CNC1CCn2c1ncc2	EMOLS-id_317967006,MCULE-7571819720	282.168	DAEMPCCYGBCITF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045102
Clc1ccc(cc1Cl)CNC1CCn2c1ncc2	MCULE-9689992491,EMOLS-id_317952619	282.168	DCFNLIGLQSSBPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045103
Clc1ccc(cc1Cl)NCc1cnc2n1CCC2	MCULE-1967909535,EMOLS-id_317939070	282.168	FAEYQKXGTMYYRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045104
Clc1cccc(c1CNC1CCn2c1ncc2)Cl	EMOLS-id_317948802,MCULE-6021430258	282.168	WFEMGOONHXYZKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045105
Clc1cc(NCc2cnc3n2CCC3)cc(c1)Cl	EMOLS-id_317961394,MCULE-5719078622	282.168	RKPPDWURUGAGPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045106
C1Cn2c(c(nn2)C(=O)c2ccc(cc2)C(F)(F)F)N1	PC-id_135924059	282.221	DTYQCVZAAFCTGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045107
C1Cc2nn(c(=O)n2C1)CC(COS(=O)[O-])(F)F	PC-id_89164174	282.245	VWXCMYNVOJNXRO-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-045108
O=C(c1ocnc1C(F)F)NCc1cnc2n1CCC2	EMOLS-id_320260600,MCULE-9918568081	282.246	SGBMOGLMXWMINI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045109
O=C(c1ocnc1C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319249987	282.246	XPFMSAUBRLYMLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045110
CC(=O)OCc1c2C(CCn2cc1[N+](=O)[O-])OC(=O)C	PC-id_101224441	282.249	MYXZNPXZWHBRJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045111
FC(Cn1ccc(n1)NC(=O)N1CCn2c1ncc2)F	EMOLS-id_319884274,MCULE-9182348172	282.249	WKHCPRBXOPSNAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045112
CC1CC(c2n1ncn2)NCc1c(F)cc(cc1F)F	MCULE-2663353730,EMOLS-id_318621334	282.264	YEQRIAUOGVLXGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045113
FC(c1ccc(cn1)NCc1cnc2n1CCC2)(F)F	MCULE-7141225798,EMOLS-id_318121584	282.264	GLGJOXPISSQGTJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045114
FC(c1ccncc1CNC1CCn2c1ncc2)(F)F	MCULE-4946185054,EMOLS-id_317945204	282.264	ZQQKCGYIMZIDMO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045115
FC(c1ccnc(c1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318199019,MCULE-1995114054	282.264	PMKWLGRIVCSWLO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045116
FC(c1cncc(c1)CNC1CCn2c1ncc2)(F)F	MCULE-5743458679,EMOLS-id_318426446	282.264	XXGZMOMSZPXWFJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045117
FC(c1cncc(c1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318712637,MCULE-9123923542	282.264	SQIZTVMXQXLQCT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045118
S1Cc2c(noc2NC(=O)c2cc(F)c(F)cc2)C1	PC-id_49720080	282.266	KKIGTYYLVFNPQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045119
S1Cc2c(noc2NC(=O)c2c(F)cccc2F)C1	PC-id_49720079	282.266	CLMCDDFIPWCDEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045120
S1Cc2c(noc2NC(=O)c2c(F)cc(F)cc2)C1	PC-id_49720101	282.266	IHDOHVUPTDMMKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045121
c1(nnc2SCCn12)NC(=O)c1c(cccc1F)F	CoCoCo_2590502,MCULE-5384337070,ZINC22_17149715,PC-id_22582961,EMOLS-id_16349421	282.269	OAPMCHCHAGESOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045122
c1(nnc2SCCn12)NC(=O)c1ccc(cc1F)F	MCULE-8298045275,CHEMBL1455774,EMOLS-id_16349527,ZINC22_8600624,CoCoCo_2590565,PC-id_16031437	282.269	HONSTMVFYKSXQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045123
c1(nnc2SCCn12)NC(=O)c1ccc(c(F)c1)F	MCULE-9089599267,CoCoCo_2590503,PC-id_22582962,ZINC22_15865763,EMOLS-id_16349423	282.269	KDUZKXSAIIUBJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045124
CCOC(=O)c1c(NN2C(=O)C2=O)sc2c1CCO2	PC-id_145830726	282.272	XXGNFAVBLXJXKM-UHFFFAOYSA-N	00010010100000000000000010000000000000000000000000000000	25-01-045125
c1ccc(cc1)/C=C
/c2c(C(O1)C(F)(F)F)scc2	PC-id_135042319	282.281	ZKSOOYZLVFVVKW-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045126
Fc1cc(F)c(cc1C(=O)c1sc2c(c1)CCC2)F	PC-id_103301331	282.281	SCXXRPBVSNZCNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045127
O=C(c1ccc(c(c1F)F)F)c1sc2c(c1)CCC2	PC-id_114971674	282.281	UZDXARABRRUWDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045128
s1c2CCCc2cc1C(=O)c1c(F)cc(F)cc1F	PC-id_43462940	282.281	LMJBUCPEEJQAAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045129
C=CC[C@H](C(=O)O)Cc1oc(c2c1OC(O2)(C)C)OC	PC-id_145569827	282.289	IKPUDKPCXFMHOQ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045130
COC(=O)C1C(=O)c2c(C1/C=C/c1ccccc1)occ2	PC-id_101506019	282.291	LGLNUMOXMQLKSL-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045131
S(=O)(=O)(Nc1onc2c1CCC2)c1ccc(F)cc1	PC-id_58664479	282.291	YSJUJQCCZHRBMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045132
CCOC(=O)c1nc2CN(Cc2o1)C(=O)OC(C)(C)C	MCULE-3159246632,EMOLS-id_45956891,PC-id_118798371,ZINC22_260436707	282.292	QYVXDSQYEWDVKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045133
o1c2CN(Cc2nc1CCC(=O)O)C(=O)OC(C)(C)C	PC-id_83949629	282.292	BUBIQCLGMTVZIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045134
s1c2c(CCC2)c(c1NC(=O)C(=O)OCC)C(=O)[O-]	PC-id_8070835	282.292	RKPDDNYMVXBSBP-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-045135
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)c(n[nH]2)N	PC-id_68985269,SCHEMBL4281899	282.294	UUDIAUXORBFEPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045136
Fc1cncc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-7602982801,EMOLS-id_316459086	282.294	ZPFOBKKTUKBTNX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045137
CC(C)(C)OC(=O)N1Cc2nn(CC(=O)O)c(N)c2C1	EMOLS-id_259688208,MCULE-5765256955	282.296	FDNASCRQGCJURV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045138
CC(C)(C)OC(=O)NCc1nnc2CC(Cn12)C(=O)O	EMOLS-id_330025737	282.296	SDQZQPJXGKBETM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045139
CC(NC(=O)OCc1nnn2c1[C@@H](CC2)OC(=O)C)C	CoCoCo_5683549	282.296	SVIHJYUIIHWUSI-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045140
CC(NC(=O)OCc1nnn2c1[C@H](CC2)OC(=O)C)C	NSC625777,CoCoCo_5683548	282.296	SVIHJYUIIHWUSI-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-045141
COCCNC(=O)CCNC(=O)c1nn2CCOc2c1	PC-id_91959824	282.296	HCCMRZUHLWQRKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045142
O1C(CN2CCC(O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL3466062,PC-id_68653504	282.296	QDPOLXAONRTWEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045143
O(C1CCn2nnc(c12)COC(=O)NC(C)C)C(=O)C	PC-id_362186	282.296	SVIHJYUIIHWUSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045144
OCCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319136574	282.296	FFRYVWWQOZDCCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045145
c12CN(Cc1nn(C)c2C#N)C(=O)OCc1ccccc1	MCULE-4691184225,EMOLS-id_324354155	282.297	KZCPYXSFPXFBQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045146
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCn2nccc12	ZINC22_375551856	282.297	JJRXDIJBNAKJRY-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045147
C[C@H](Oc1ccccc1C#N)C(=O)N1CCn2nccc12	ZINC22_375551858	282.297	JJRXDIJBNAKJRY-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-045148
N#Cc1ccccc1OC(C(=O)N1CCn2c1ccn2)C	MCULE-5393160190,EMOLS-id_316054172	282.297	JJRXDIJBNAKJRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045149
N#Cc1ccc(cc1O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319981194,MCULE-6800029685	282.297	PZZMWNBEJVTNAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045150
N#Cc1c(N)c(C(=O)Nc2ccc(O)cc2)n2c1CCC2	CHEMBL568481,PC-id_45112331	282.297	BWRWWRIEYJPUMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045151
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccco2)nc2n1CCC2	ZINC22_1775999441,MCULE-4032662778,EMOLS-id_317008953	282.297	MTTIGWOSHCQDEB-NXEZZACHSA-N	00100010101000000001100010000000000000000000000000000000	25-01-045152
O=C(Nc1nc2CCCn2c1C#N)OCc1ccccc1	EMOLS-id_331248683	282.297	ZWYNKDCMEFLTPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045153
C[C@@H]([C@H]1Oc2n(C1)c(cn2)[N+](=O)[O-])N1CCN(CC1)N	PC-id_141620023	282.299	SSZLOSBWHWYLFI-IUCAKERBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045154
O1C(CN2CCN(N)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081293	282.299	JSRWMARWTLVSAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045155
O1[C@@](CN2CCN(N)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479769	282.299	JSRWMARWTLVSAP-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-045156
c1ccc(c(c1)OCc1nnc2n1CCC2)n1cncn1	MCULE-3098221615,EMOLS-id_320145238	282.301	ZOOMULHHORLAFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045157
Cc1ccnc(c2noc(CN3CCn4ccnc34)n2)c1	PC-id_146139292,ZINC22_931521086	282.301	XJOYFEBFPPCXMX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045158
O=c1n(ncn1c1ccccc1)Cc1nnc2n1CCC2	EMOLS-id_320191413,MCULE-4885594443	282.301	GXJVNMDMKPZJJC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045159
O=C(NCc1n2CCCc2nn1)Nc1cc(ccc1)C#N	PC-id_60446646	282.301	AGJJJOLYKZZMOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045160
O=C(NCc1n2CCCc2nn1)Nc1c(cccc1)C#N	PC-id_60499264	282.301	NGJRSESSJKRMOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045161
c1ccc(cc1)n1nnnc1NCc1nnc2n1CCC2	PC-id_25641031,CoCoCo_4474525	282.304	JPBZQLQFJUXGGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045162
Cc1c(c2nc(nn2[nH]1)C)C=c1c(nn2c1nc(n2)C)C	PC-id_89832439	282.304	QDVVANIIGHAHBV-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-045163
Cc1c(c2nnc(n2[nH]1)C)C=c1c(nn2c1nnc2C)C	PC-id_89832435	282.304	ZCLZSFXJVOXVJD-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-045164
Cc1nc2n(n1)nc(/c/2=C/c1c(C)nn2c1[nH]c(n2)C)C	SCHEMBL15295083	282.304	OMZMLYQCCAFFIK-WZUFQYTHSA-N	00000000100000000001000110000000000000000000000000000000	25-01-045165
Cc1nn2c(c1/C=c
/c(C)nn3c1nnc3C)[nH]nc2C	SCHEMBL15295074	282.304	YHKPWTNUKZLKMR-WZUFQYTHSA-N	00000000100000000001000110000000000000000000000000000000	25-01-045166
N#CC1CC(CN1C(=O)c1sc2c(c1)CCC2)(F)F	EMOLS-id_318867136	282.309	XJYYSZLFCIBDQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045167
FC(c1ccnc(n1)CNc1sc2c(n1)CCC2)F	EMOLS-id_318778390,MCULE-9698731019	282.312	LKHQJOYRVCLYDF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045168
FC(c1cnc(nc1)NCc1sc2c(n1)CCC2)F	EMOLS-id_318678856,MCULE-8350794674	282.312	UEURHDCNHJWCTL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045169
FC(c1nccnc1NCc1sc2c(n1)CCC2)F	MCULE-4333651894,EMOLS-id_318654784	282.312	UOJVVYNPFGDTRM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045170
CCCN1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960117	282.314	OXGMUXDNPYDYBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045171
c1(NC(=O)CCC(=O)O)sc2c(CCC2)c1C(=O)N	MCULE-9847534443,PC-id_4983110,EMOLS-id_2856689,CoCoCo_3784234,ZINC22_3886311	282.316	MYHMYWHHVFPELS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045172
c1(NC(=O)C(=O)N)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6534132,STOCK6S-18088,EMOLS-id_4752041,PC-id_8073086,ZINC22_6760648,MCULE-4927683139	282.316	OCTHNSQXHSMZBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045173
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC(=O)N	ZINC22_4462345,PC-id_7238848,CoCoCo_2840865	282.316	GJBLANUSAVBEMJ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-045174
ClC(c1sc2c(CCC2)c1)Cc1c(Cl)cccc1	PC-id_55223301	297.243	FGIHSYGQHPXXFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056811
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC(=O)N	ZINC22_4462347,CoCoCo_2840866,PC-id_7238850	282.316	GJBLANUSAVBEMJ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045175
CCOC(=O)C(=O)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8289712,PC-id_60001298	282.316	LHCOTKOREWBGTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045176
CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3159501,ZINC22_6313244,PC-id_4993236,MCULE-6396950389,CoCoCo_3024361	282.316	PSROTGFLPBGAOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045177
CNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2	CoCoCo_2840826,EMOLS-id_43696742,PC-id_3289333,MCULE-8239501975,ZINC22_4462295	282.316	GNYHSNREBRQBKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045178
NC(=O)CN(C(=O)c1sc2c(c1)CCC2)CC(=O)O	PC-id_113958865	282.316	UJAOZJYTJQDLGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045179
NC(=O)NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_43696750,PC-id_4031636,MCULE-9312571175	282.316	GJBLANUSAVBEMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045180
O=C(C1CCC(O1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_102688355	282.316	AICDEAWHBQYFKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045181
O=C([C@@H]1CC[C@@H](O1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_102945088	282.316	AICDEAWHBQYFKN-JGVFFNPUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045182
s1c2CCCc2cc1C(=O)NC(CC(=O)N)C(=O)O	PC-id_43175965	282.316	NMWUSLDMRUYPTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045183
s1c2CCCc2cc1C(=O)NCC(=O)NCC(=O)O	PC-id_43387578	282.316	DOZGTVOCEZVGBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045184
s1c2CCCc2cc1C(=O)N[C@@H](CC(=O)N)C(=O)O	PC-id_28119186	282.316	NMWUSLDMRUYPTK-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045185
s1c2CCCc2cc1C(=O)OCC(=O)NNC(=O)C	PC-id_7623561	282.316	VHNQRZMKKOJBSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045186
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(=O)OC	PC-id_7521425	282.316	AEPZGZVTYVKRTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045187
CCOC(=O)C1=C(CCc2ccccc2)c2c([N]1)[nH]nc2	SCHEMBL4060774	282.317	PAZZQLXCJYVWGE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-045188
c1(NC(=O)CN2CCOC2=O)n(C)nc2CSCc12	ZINC22_1506400844,MCULE-2220052710,EMOLS-id_316220717	282.319	PDFHDTQLRLFFOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045189
Cc1noc(c1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700129	282.319	FZFUINFPAYUHCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045190
Cc1nocc1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319093110	282.319	RIJGPLHKRVELHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045191
Cc1onc(c1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100972159	282.319	PCJMWKBBZLWKLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045192
CC(c1nnc2n1CCC2)NS(=O)(=O)c1ccn[nH]1	PC-id_102692787	282.322	VWRKQEADVUGBDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045193
CCn1ncc(n1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319703352	282.322	QLUHQKZRHMGKOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045194
Cn1ncc(n1)S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_320176837,MCULE-4444260272	282.322	XLLHLXUXXVBJCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045195
Cn1nnc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319046403	282.322	DGZVXNIRSNUGAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045196
Cn1nnc(c1)S(=O)(=O)NCc1nn2c(c1)CCC2	MCULE-7726356414,EMOLS-id_320281904	282.322	ALRLKXYRZWNLEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045197
CN(S(=O)(=O)c1ccn[nH]1)Cc1nnc2n1CCC2	PC-id_102692227	282.322	GIYVPGIZDWHSGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045198
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c[nH]nc1	PC-id_54877121	282.322	UMWCXGYXKFUTCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045199
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1c[nH]nc1	PC-id_61275023	282.322	AECTZJMCZGDESN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045200
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1[nH]cnc1	PC-id_64154386	282.322	FLJXILYVYSPHCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045201
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1[nH]cnc1	PC-id_64154997	282.322	PDQBJFCZUVKPDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045202
CCC(=O)NC1CCn2c1ccc2C(=O)c1ccccc1	PC-id_142968380	282.337	ILROEBBWLBATDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045203
CN(CC1Cn2c(C1=O)ccc2C(=O)c1ccccc1)C	PC-id_54370280,SCHEMBL8829544	282.337	USSCESACKIRWEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045204
O=C(c1occ2c1CCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_318777346	282.337	TUDCLTKKCRXUCB-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-045205
O=C(NCC1(c2ccccn2)CC1)c1occ2c1CCC2	MCULE-7728787040,ZINC22_585081976,EMOLS-id_177200293	282.337	LAPZWLOPOBULBJ-UHFFFAOYSA-N	00100010100000101000100010000000000000000000000000000000	25-01-045206
O=C(N(C)C)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_20708721	282.337	LEWXFECERIISHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045207
CCC(C)NC(=O)N1Cc2[nH]nc(COCCO)c2C1	EMOLS-id_46194920	282.339	HHTOERCHZIUQPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045208
CC[C@@H](C)NC(=O)N1Cc2[nH]nc(COCCO)c2C1	PC-id_97413685,ZINC22_96094732	282.339	HHTOERCHZIUQPI-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045209
CC[C@H](C)NC(=O)N1Cc2[nH]nc(COCCO)c2C1	PC-id_97413686,ZINC22_96094733	282.339	HHTOERCHZIUQPI-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-045210
COC(=O)Cn1nc2c(c1)CN(C2)C(C[C@H](N)C)CO	PC-id_144148248	282.339	HHALRXGMFAXAPC-BFHBGLAWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045211
NCCCn1[nH]c2c(c1=O)CN(C2)C(=O)OC(C)(C)C	PC-id_105523025	282.339	HIYIJDYEVCLJDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045212
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1ccccn1	MCULE-2452765702,PC-id_56900705,EMOLS-id_43132147	282.34	BGEXRRQJLKXAIS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045213
C1Cc2c(C(=O)NN=C(c3ccc(C)cc3)C)n[nH]c2C1	MCULE-1134705038,PC-id_5084744	282.34	UGNZOJOXKRBITQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045214
C1Cc2c(C(=O)NN=Cc3ccc(CC)cc3)n[nH]c2C1	PC-id_2047183,MCULE-8268588625	282.34	HZQSILROWOKIOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045215
C1Cc2nc(cn2C1)C(=O)NC(C1CC1)c1ccncc1	MCULE-1699256248,EMOLS-id_316934355,PC-id_136568006	282.34	JWRZRQPWWBREKR-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-045216
C1CC(N(C1)C(=O)c1n[nH]c2c1CCC2)c1cnccc1	MCULE-4363307213,EMOLS-id_49905079,PC-id_86776819	282.34	LZJBJQGIZHKELY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045217
c1(C(=O)c2ccccc2)n2CCCc2nc1N=CN(C)C	MCULE-7926781809,PC-id_7326951	282.34	SQYRDMZQIXWMRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045218
c1(C(=O)NN=C(C)Cc2ccccc2)c2CCCc2[nH]n1	MCULE-6737278110,PC-id_714361	282.34	GBAJGFMPIGSSIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045219
Cc1ccccc1/C=C/C(=O)NCc1nnc2n1CCC2	CoCoCo_4658141,ZINC22_32906565,PC-id_40143077	282.34	KZLFRPJGOFYNOF-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045220
Cc1cccc(/C=C/C(=O)NCc2nnc3n2CCC3)c1	ZINC22_32906566,CoCoCo_4658143,PC-id_40143078	282.34	KAIMYSMJFNTPFR-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045221
CCc1ccc(cc1)/C=N/NC(=O)c1n[nH]c2c1CCC2	PC-id_6891289,SPECS-id_AT-225/NB40881	282.34	HZQSILROWOKIOW-LICLKQGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045222
C=CC(c1ccccc1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319487072	282.34	QRTHWSUUHOSCBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045223
CCC(c1cccc(c1O)C#N)NC1CCn2c1ncc2	MCULE-1077182946,EMOLS-id_319962521	282.34	CHCTXGGUZIHYCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045224
CC(C)N(C)c1ccc(/C=C/Cn3ccnc3C2=O)cn1	ZINC22_585135808	282.34	CTJYPOHOOSPKRD-JYRVWZFOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045225
CC(N(c1ccc(cn1)C=C1Cn2c(C1=O)ncc2)C)C	EMOLS-id_177331270,MCULE-6041839133	282.34	CTJYPOHOOSPKRD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045226
C/C(=N/NC(=O)c1[nH]nc2c1CCC2)/Cc1ccccc1	CoCoCo_57358,PC-id_5724364,CoCoCo_57360	282.34	GBAJGFMPIGSSIW-BOPFTXTBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045227
C/C(=NNC(=O)c1n[nH]c2CCCc12)/Cc1ccccc1	CoCoCo_57359,PC-id_5341573,CoCoCo_57357,EMOLS-id_25786309,BAS-00389974	282.34	GBAJGFMPIGSSIW-GZTJUZNOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045228
Cn1nc(c2c1CN(C2)Cc1ccco1)Cn1cccc1	PC-id_97405303	282.34	BAUAJJJPVOHCCO-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-045229
Cn1nc(c2c1CN(C2)Cc1cocc1)Cn1cccc1	CHEMBL3553636,PC-id_97405301	282.34	ZWBICAWAVMKTHP-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-045230
Cn1ncc2c1CN(C2)C(=O)C1(CC1)Nc1ccccc1	EMOLS-id_316639954	282.34	HLRLHNSKUXXYHQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-045231
CN(C)Cc1nc2CN(Cc3cccc(c3)C#N)Cc2o1	EMOLS-id_44372062,PC-id_97520328,ZINC22_96260252	282.34	OSTVKDBBBRJJAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045232
CN(C)/C=N/c1nc2CCCn2c1C(=O)c1ccccc1	ZINC22_4705524,CoCoCo_6252650,EMOLS-id_46444980,PC-id_16470650	282.34	SQYRDMZQIXWMRB-GZTJUZNOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045233
CN(/C=Nc1nc2n(c1C(=O)c1ccccc1)CCC2)C	CoCoCo_6252651	282.34	SQYRDMZQIXWMRB-BOPFTXTBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045234
N#Cc1c(C)cc(c(c1C)C)OCc1nnc2n1CCC2	EMOLS-id_319688534	282.34	DFHSPZQUZNFSEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045235
N#Cc1cc(CNC2CC(n3c2ncc3)C)ccc1OC	EMOLS-id_318709914,MCULE-3223105146	282.34	VNPYIZLRBCEUAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045236
O=C1CCCN1c1cccc(c1)NC1CCn2c1ncc2	EMOLS-id_318168512,MCULE-4759330351	282.34	UKGHGYFZWPNTTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045237
O=C1CC(CN1c1ccccc1)NC1CCn2c1ncc2	MCULE-3089733271,EMOLS-id_318124542	282.34	WVTHSPGISXFNRI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045238
O=C(C1(CC1)c1ccccn1)NCc1cnc2n1CCC2	EMOLS-id_318898297	282.34	HGJUBEOCXQTFFQ-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-045239
O=C(C1CC1)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2918408,PC-id_68440608	282.34	RTHFYAGSZZTFIR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-045240
O=C(c1ccnc(c1)C1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_99306560	282.34	YIWOLOFNUVOUKW-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-045241
O=C(c1ccnc(c1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318906852	282.34	FBGKXJAPGNIVTE-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-045242
O=C(c1cn2c(n1)CCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_319882956,MCULE-3109070290	282.34	LFJHNGPUCWPAPB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-045243
O=C(c1cnc2n1CCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_320076420,MCULE-6529338907	282.34	FOWXBRFDDFJIIE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-045244
O=C(c1cnn2c1CCC2)N1CCCC1c1cccnc1	EMOLS-id_101200911	282.34	FQZMIQLVJJOJGX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045245
O=C(C1NCc2c1c[nH]n2)NCC1(CC1)c1ccccc1	MCULE-7876144376,EMOLS-id_320098373	282.34	OFOXFQFVDZGGBO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045246
O=C(c1nccc(c1)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_319676474	282.34	AJBJRZSNUZCHQW-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-045247
O=C(c1nccc(c1)C1CC1)NCc1cc2n(n1)CCC2	EMOLS-id_319971725,MCULE-6459697430	282.34	WQUHBJYEDLSSIQ-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-045248
O=C(c1nccc(c1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319733641	282.34	AAULRXPLZPKJCS-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-045249
O=C(c1[nH]c2c(c1)CCC2)N1CCC(C1)c1ncccn1	EMOLS-id_318776953	282.34	NURCDPRUCIHBIA-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045250
O=C(c1[nH]c2c(c1)CCC2)N1CCC(C1)c1nccnc1	EMOLS-id_320117692,MCULE-5234326041	282.34	JOXDYTFXJSQDMT-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045251
O=C(c1[nH]c2c(c1)CCC2)NC1CN(C1)c1ccccn1	MCULE-5611766581,EMOLS-id_320084882	282.34	WUXKQIZZIZZYFX-UHFFFAOYSA-N	00001010100000101000100010000000000000000000000000000000	25-01-045252
O=C(c1nn2c(c1)CCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_318904079	282.34	LWFUBUGMQZBDJI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-045253
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1ccccn1	PC-id_95874448,ZINC22_72434778	282.34	BGEXRRQJLKXAIS-CQSZACIVSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045254
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1ccccn1	ZINC22_72434776,PC-id_95874447	282.34	BGEXRRQJLKXAIS-AWEZNQCLSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045255
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1cccnc1	PC-id_97837217,ZINC22_97159081	282.34	LZJBJQGIZHKELY-AWEZNQCLSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045256
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1cccnc1	PC-id_97837218,ZINC22_97159082	282.34	LZJBJQGIZHKELY-CQSZACIVSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045257
O=C(/C=Cc1ccccc1C)NCc1nnc2n1CCC2	CoCoCo_4658142	282.34	KZLFRPJGOFYNOF-HJWRWDBZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045258
O=C(/C=Cc1cccc(c1)C)NCc1nnc2n1CCC2	CoCoCo_4658144	282.34	KAIMYSMJFNTPFR-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045259
O=C(C=Cc1cccc(c1)C)NCc1nnc2n1CCC2	MCULE-3884615347,EMOLS-id_26236764,PC-id_72055517	282.34	KAIMYSMJFNTPFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045260
O=C(C=Cc1ccccc1C)NCc1nnc2n1CCC2	MCULE-7244218349,PC-id_72055518,EMOLS-id_26236762	282.34	KZLFRPJGOFYNOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045261
O=C([C@@H]1C[C@H]1c1cccnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319447926	282.34	BJEOTTSOJFSEHV-QWHCGFSZSA-N	00100010100000101001100010000000000000000000000000000000	25-01-045262
O=C(CNc1ccc(cc1)C)NN=C1CCn2c1ccc2	EMOLS-id_44522124,MCULE-6774429779,PC-id_71899694	282.34	FGYXUJRLXMSCOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045263
O=C(N1CCCC1c1cccnc1)c1nn2c(c1)CCC2	EMOLS-id_101200902	282.34	QOTOOZFJBANVPF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045264
O=C(N[C@H](c1ccncc1)C1CC1)c1cn2c(n1)CCC2	ZINC22_890904196	282.34	JWRZRQPWWBREKR-HNNXBMFYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-045265
O=C(N[C@@H](c1ccncc1)C1CC1)c1cn2c(n1)CCC2	ZINC22_890904197	282.34	JWRZRQPWWBREKR-OAHLLOKOSA-N	00100010100000101001000010000000000000000000000000000000	25-01-045266
O=C(N/N=C
/CCn2c1ccc2)CNc1ccc(cc1)C	PC-id_75362250	282.34	FGYXUJRLXMSCOM-JXAWBTAJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045267
O=C(N/N=C(/c1ccc(cc1)C)C)c1n[nH]c2CCCc12	PC-id_9606999	282.34	UGNZOJOXKRBITQ-GZTJUZNOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045268
O=C(NNC(=C)Cc1ccccc1)c1n[nH]c2CCCc12	PC-id_4068764	282.34	UNDBJRHPGZHFIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045269
CC(C)[C@H](Nc1ccc(C#N)cn1)c1nnc2n1CCC2	ZINC22_89801901,PC-id_97079313	282.344	QDIDROAUFDCKDH-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045270
CC(C)[C@@H](Nc1ccc(C#N)cn1)c1nnc2n1CCC2	ZINC22_89801904,PC-id_97079314	282.344	QDIDROAUFDCKDH-CQSZACIVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045271
CCN(c1ccc(cc1)/N=C/1C(=Nn2c1nc(n2)C)C)C	PC-id_58880676,SCHEMBL13325633	282.344	VTUDZPOBJXFVSJ-SAPNQHFASA-N	00000011100000110001000010000000000000000000000000000000	25-01-045272
CCN(c1ccc(cc1)/N=C
/C(=Nn2c1nnc2C)C)C	SCHEMBL13325638	282.344	MZKSPTXBOBIIBN-PEZBUJJGSA-N	00000011100000110001000010000000000000000000000000000000	25-01-045273
Cn1nc(c2c1CN(C2)Cc1ccc[nH]1)Cn1cncc1	PC-id_97405313	282.344	SGWVTHFAGWBYOD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-045274
n12CCCc1nnc2C(Nc1ncc(cc1)C#N)C(C)C	PC-id_71922515,MCULE-6788621110	282.344	QDIDROAUFDCKDH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045275
n12N=C(C(=Nc3c(cc(N(C)C)cc3)C)c1nc(n2)C)C	PC-id_53899102	282.344	HVVXPHYFFKFENF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-045276
n12N=C(C(=Nc3c(cc(N(C)C)cc3)C)c1nnc2C)C	PC-id_54483810	282.344	XQWOROWDNDHXOQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-045277
n12N=C(C(=Nc3ccc(N(CC)C)cc3)c1nnc2C)C	PC-id_58880660	282.344	MZKSPTXBOBIIBN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-045278
N#Cc1c(C)cc(nc1NC(c1nnc2n1CCC2)C)C	EMOLS-id_318755289,MCULE-6906773693	282.344	XPCLJGNVXOKLNH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045279
CC(C1Cc2c(C1)cc(s2)C(C(=O)O)(C(=O)O)C)C	PC-id_21317966,SCHEMBL11529271	282.355	FRNKGKRIKZTFPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045280
CC(c1sc(c2c1C(=O)C(C2=O)(O)O)C(C)(C)C)C	PC-id_144503799	282.355	GRQIJDKOMQJCIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045281
O=C(CC1(Cc2c(C1)csc2)C(=O)O)OC(C)(C)C	SCHEMBL8901410,PC-id_23358974	282.355	ZDUAJRUCGQLGKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045282
O=C(OCC#Cc1ccccc1)c1cc2c(s1)CCC2	ZINC22_95364988,MCULE-7893357276,PC-id_75416270,EMOLS-id_48219030	282.357	YBGLLQIUTQTFHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045283
c12CN(Cc1scc2C(=O)NC)C(=O)OC(C)(C)C	MCULE-5496957617,EMOLS-id_331065378	282.359	PWUVVZSITWPPNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045284
c1(NC(=O)CCOC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331615,MCULE-9068302151	282.359	FTHHXEKMPPSBEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045285
c1(NC(=O)CN(C)C)sc2c(CCC2)c1C(=O)OC	ZINC22_13322981,PC-id_17376242,CoCoCo_1049847,EMOLS-id_2547334,MCULE-5996157656	282.359	IALVRUKNMABTLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045286
c1(NC(=O)NC(C)C)sc2c(CCC2)c1C(=O)OC	STOCK6S-05811,EMOLS-id_4733355,MCULE-7184086308,PC-id_8029540,ZINC22_6661161,CoCoCo_1104637	282.359	XWZMQTQICVQNNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045287
c1(NC(=O)OCCCC)sc2c(CCC2)c1C(=O)N	PC-id_19172794,MCULE-4170790263	282.359	SWKCRUXUPGEDPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045288
c1(NC(=O)OC(C)(C)C)sc2c(CCC2)c1C(=O)N	PC-id_84418752,EMOLS-id_181348489,MCULE-6342574174	282.359	CVYJMYASABNJCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045289
CC1COCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_114241662	282.359	PBIGNIMXVNMOAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045290
CC1OCCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_114109956	282.359	NEBSFYMHJFLVQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045291
CC(C1CCCO1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_113395699	282.359	WNNKGTUPJACSAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045292
CC(C1COCC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_116436043	282.359	GJDUIGBCQDQZBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045293
CCN(C(=O)Nc1sc2c(c1C(=O)O)CCC2)CC	PC-id_44221092,BindingDB_PC-id_44221092	282.359	OESBQWKXVAPRNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045294
CCOC1CC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105856764	282.359	CVMCBHXEGSFUIG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045295
CCOC(=O)C1CCc2c1nc(s2)NC1COCC1	PC-id_104289119	282.359	DWCTZPGXEVYJSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045296
CCOC(=O)c1c(NC(=O)C(C)N)sc2CCCc12	EMOLS-id_327816099,MCULE-6381558580,PC-id_60718992	282.359	KBWROIWVYDCYQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045297
CCOC(=O)c1c(NC(=O)[C@H](C)N)sc2CCCc12	EMOLS-id_327882529,PC-id_78968994,MCULE-5660221667	282.359	KBWROIWVYDCYQP-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045298
CCOC(=O)c1c(NC(=O)CNC)sc2CCCc12	MCULE-8042699857,EMOLS-id_327909326,PC-id_60641108	282.359	JBURFWCRWBHBCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045299
CCOC(=O)C(C(=O)NCc1sc2c(c1)CCC2)N	PC-id_116458453	282.359	JUSMBTAGSFYVNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045300
CN(C(=O)c1occ2c1CCC2)C1CCS(=N)(=O)C1	EMOLS-id_319680357	282.359	YVOIBFDESIZFAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045301
CNC(=O)CC1CSc2n1ccc2C(=O)OC(C)C	SCHEMBL9038773,PC-id_19903367	282.359	NPVOZJIYBFKXOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045302
CNC(=O)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956532	282.359	JRSBBFAQQFVJCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045303
COC1(CCC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105856804	282.359	PALOXKVBSJJXOV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045304
COC1CCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105835281	282.359	YPSAILOPGLQKNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045305
COC1CCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_113395765	282.359	OFZRHVZGMQROPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045306
COCCN(c1nc2c(s1)CCC2C(=O)O)C1CC1	PC-id_104288253	282.359	LAPHIPMZYOFPHN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045307
NC(=O)CC1CSc2n1cc(c2C(=O)OC(C)C)C	PC-id_19903328,SCHEMBL9038220	282.359	NXPWHCMMTCKBJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045308
OC(=O)C1CCc2c1nc(s2)NC1(C)CCCOC1	PC-id_105805100	282.359	LKDBRHYHGOGRJY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045309
OC(=O)C1CCc2c1nc(s2)NC1(C)CCOC1C	PC-id_114096871	282.359	UXCCCTGYGCZCEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045310
OC(=O)C1CCc2c1nc(s2)NC1(C)CCOCC1	PC-id_116233877	282.359	ANGZCSKEADUWBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045311
OC(=O)C1CCc2c1nc(s2)N(C1CCOC1C)C	PC-id_104289184	282.359	REUAPAHMLVEQLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045312
OC(=O)C1CCc2c1nc(s2)N(C1CCOCC1)C	PC-id_104288001	282.359	GJZIWDCLSVBYSR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045313
OC(=O)C1CCc2c1nc(s2)NCC1CCCCO1	PC-id_104288096	282.359	JGUCWRQAJDSTBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045314
OC(=O)C1CCc2c1nc(s2)NCC1(C)CCCO1	PC-id_104289103	282.359	GJVHUOKQSQXYRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045315
OC(=O)C1CCc2c1nc(s2)N(CC1CCCO1)C	PC-id_104288228	282.359	YMSSEZUYMAQXSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045316
OC(=O)C1CCc2c1nc(s2)NCC1CCCOC1	PC-id_104288283	282.359	LPZMVDTUOGFPPE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045317
OC(=O)C1CCc2c1nc(s2)NCC1CCOC1C	PC-id_114106957	282.359	YTSJMRITEGZYFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045318
OC(=O)C1CCc2c1nc(s2)NCC1CCOCC1	PC-id_104288729	282.359	GWCBAWORHUILKA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045319
OC(=O)C1CCc2c1nc(s2)NCCC1CCCO1	PC-id_104288374	282.359	UCCLUMBSLJEMNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045320
OC(=O)C1CCc2c1nc(s2)NCCC1COCC1	PC-id_114131728	282.359	VKXJSONXZVBZTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045321
OC(=O)C1CCc2c1nc(s2)NCCOCC1CC1	PC-id_114098754	282.359	GHESVQAXDQBAMV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045322
OC(=O)C(C(C)(C)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_113534126	282.359	PLGPRQZFUVWIAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045323
s1c2c(CCC2)cc1CNCC(NC(=O)C)C(=O)O	PC-id_64581073	282.359	KWYPUCWMTHKVSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045324
s1c2c(CCC2)cc1CNC(=O)C(N)CCC(=O)O	PC-id_64890880	282.359	FYYHHIJQCPOXBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045325
s1c2c(CCC2)c(c1NC(=O)CCCN)C(=O)OC	PC-id_61252112	282.359	KEALLLZSDXXYDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045326
s1c2c(CCC2)c(c1NC(=O)CCN(C)C)C(=O)O	PC-id_81683891	282.359	GDESBKIZSROCIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045327
s1c2c(CCC2)c(c1NC(=O)CC(N)C)C(=O)OC	PC-id_61252682	282.359	AZTQESVIHUPFGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045328
s1c2c(CCC2)c(c1NC(=O)CCNC)C(=O)OC	PC-id_61711560	282.359	PDSSMVIJTJCZOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045329
s1c2c(CCC2)c(c1NC(=O)C(CN)C)C(=O)OC	PC-id_62668572	282.359	IYARCACOHXCYHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045330
s1c2c(CCC2)c(c1NC(=O)CCN)C(=O)OCC	PC-id_61258774	282.359	SAPKEFRBCRIQRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045331
s1c2c(CCC2)c(c1NC(=O)[C@H](N)CC)C(=O)OC	PC-id_65807079	282.359	MUXHBDNQBMPEJA-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045332
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)CC)C(=O)OC	PC-id_79023562	282.359	MUXHBDNQBMPEJA-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045333
s1c2c(CCC2)c(c1NC(=O)[C@H](N)C)C(=O)OCC	PC-id_54996207	282.359	KBWROIWVYDCYQP-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045334
s1c2c(CCC2)c(c1NC(=O)CNCC)C(=O)OC	PC-id_60641349	282.359	WEAHDIFZDSBRKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045335
s1c2c(CCC2)c(c1NC(=O)C(N)CC)C(=O)OC	PC-id_61252680	282.359	MUXHBDNQBMPEJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045336
s1c2c(CCC2)c(c1NC(=O)C(N)(C)C)C(=O)OC	PC-id_61264688	282.359	DZXCBIZPWHYIJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045337
s1c2c(CCC2)c(c1NC(=O)C(NC)C)C(=O)OC	PC-id_62638094	282.359	NUPRPGJSZLDZQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045338
s1c2c(CCC2)c(c1NC(=O)NCCCC)C(=O)O	PC-id_43145455	282.359	ILFYHVSGUGZKKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045339
s1c2c(CCC2)c(c1NC(=O)NC(C)(C)C)C(=O)O	PC-id_43328038	282.359	AAILUXRGDDNWEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045340
s1c2CCCc2nc1NC(=O)CC(CC(=O)O)(C)C	PC-id_62934934	282.359	XRSAPLREJQXJQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045341
S1c2n(C(C1)C(=O)NC)cc(c2C(=O)OC(C)C)C	PC-id_10085188	282.359	FIYQXPZQQZVDID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045342
S1CC(n2c1c(cc2)C(=O)OC(C)C)C(C)C(=O)N	PC-id_57325315	282.359	CYSZWHQQBWJNEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045343
S(c1n2CCCc2cc1C(=O)OC)CCNC(=O)C	PC-id_11808153	282.359	YKAZQGKLOHXEAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045344
c1(C#N)c2CCCc2sc1N=Cc1cccc(C)c1O	MCULE-9920096878	282.36	LAVUQECNIKJUTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045345
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C#N	BAS-04435870,CoCoCo_322419,MCULE-1160786872,SPECS-id_AN-153/I111413,ZINC22_244030,SPECS-id_AG-205/08188027,EMOLS-id_1452960,PC-id_766950	282.36	DQRYOEAUOHMSQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045346
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C#N	PC-id_1074683,BAS-04435871,SPECS-id_AE-848/36316021,EMOLS-id_1452962,MCULE-9931857942,ZINC22_782899,CoCoCo_322420	282.36	YDPCFQBXFXDBIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045347
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C#N	SPECS-id_AN-153/I181372,PC-id_924828,EMOLS-id_1452972,CoCoCo_322425,BAS-04435922,ZINC22_514031,SPECS-id_AG-690/36925019,MCULE-6795231426	282.36	XYTVOTKVSUQRQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045348
Cc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	CoCoCo_356026,EMOLS-id_1487136,SPECS-id_AG-690/11231083,MCULE-6495950994,PC-id_3154708,BAS-06848340,ZINC22_4454700	282.36	BCSSMXAMEIDLKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045349
Cc1cccc(/C=N/c2sc3c(c2C#N)CCC3)c1O	TIMTEC279074,ZINC22_4150732,CoCoCo_6709087,PC-id_135647053,EMOLS-id_46408515	282.36	LAVUQECNIKJUTL-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045350
Clc1sc2CCC(Nc3ccc(CCCC)cc3)c2c1	PC-id_81251592	305.865	XNSLOPZOGALKQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064959
CSc1ccc(cc1)C(=O)c1ccc2n1CCC2C#N	SCHEMBL11442232,PC-id_13486993	282.36	FTGLELCHAORNGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045351
N#CC1CCn2c1cc(c2C(=O)c1ccccc1)SC	SCHEMBL10809175,PC-id_13687519	282.36	ULUXUJJOQJSYAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045352
N#CC1(CCn2c1ccc2)C(=O)c1cccc(c1)SC	SCHEMBL11442233,PC-id_70586880	282.36	RERQECUBVLYINO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045353
N#Cc1c(/N=Cc2cccc(c2O)C)sc2c1CCC2	CoCoCo_6709088	282.36	LAVUQECNIKJUTL-NVMNQCDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045354
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)CC#N	PC-id_9260134	282.36	LTFPZUWRMJQOJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045355
s1c2CCCc2cc1C(=O)N(c1cc(ccc1)C#N)C	PC-id_48025544	282.36	ZIFASZZJHSRLJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045356
s1c2CCCc2cc1C(=O)Nc1c(ccc(c1)C#N)C	PC-id_62059885	282.36	MQUQJLXNFYTHIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045357
s1c2CCCc2cc1C(=O)N(c1ccc(cc1)C#N)C	PC-id_62981725	282.36	DWIYNUBTTSDCQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045358
s1c2CCCc2cc1C(=O)N(c1c(cccc1)C#N)C	PC-id_80413471	282.36	FFWPUPATFKNOGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045359
s1c2CCCc2cc1C(=O)NCc1cc(ccc1)C#N	PC-id_47162833	282.36	LJFBRLOHWPIQBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045360
s1c2CCCc2cc1C(=O)NCc1ccc(cc1)C#N	PC-id_47162892	282.36	IEISDYNXKFGZFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045361
s1c2CCCc2cc1C(=O)NC(c1ccccc1)C#N	PC-id_60659268	282.36	DGKZRALNZFWPBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045362
s1c2CCCc2c(c1N/C=C/1C(=O)C(=CC=C1)C)C#N	PC-id_25250886	282.36	MALKXNCOBWPDSY-LUAWRHEFSA-N	00000010100011000000000010000000000000000000000000000000	25-01-045363
s1c2CCCc2c(c1N/C=C
/C(=O)C(=CC=C1)C)C#N	PC-id_5923678	282.36	MALKXNCOBWPDSY-PKNBQFBNSA-N	00000010100011000000000010000000000000000000000000000000	25-01-045364
s1c2CCCc2c(c1NC=C1C(=O)C(=CC=C1)C)C#N	PC-id_6805987	282.36	MALKXNCOBWPDSY-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-045365
CCCNC(=O)Cn1nc2c(c1NC(=O)C)CSC2	CoCoCo_5277490,PC-id_30862069	282.362	MQYKYZJRPZTHFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045366
CN1CCN(CC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104289216	282.362	BQBVRCKKBHDQSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045367
CN(C(=O)c1n[nH]c2c1CCC2)C1CCS(=N)(=O)C1	EMOLS-id_320324721,MCULE-2114640533	282.362	GDELSCROEIRDBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045368
n1(CC(=O)NCC2CCCO2)nc2c(CSC2)c1N	MCULE-1888847847,EMOLS-id_27513007,PC-id_44116762	282.362	BSQOUGIOKSBADT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045369
Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2	CoCoCo_5090351,ZINC22_26422000,EMOLS-id_337399644,PC-id_33677824	282.362	BSQOUGIOKSBADT-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045370
Nc1c2c(nn1CC(=O)NC[C@@H]1CCCO1)CSC2	ZINC22_26421997,CoCoCo_5090352,PC-id_33677821	282.362	BSQOUGIOKSBADT-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045371
Nc1c(=O)n2n(c1NCC[N+]1(C)CCOCC1)CCC2	SCHEMBL13745306,PC-id_70985587	282.362	HAVKFXGUMHLLTB-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-045372
N#CC(CS(=O)(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_319378729	282.362	WEWSLHPPFQWEHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045373
NC(=O)NCCCCC(=O)Nc1nc2c(s1)CCC2	EMOLS-id_48207985,MCULE-2741344710,ZINC22_25768513,PC-id_33040190	282.362	CSUNPOLALXPBNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045374
O=S(=O)(c1cnc2n1CCC2)NCC1=CCNCC1	EMOLS-id_303002492,PC-id_121707364,MCULE-6012232848	282.362	LQLNFCGOUBDRIS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-045375
s1c2CN(C(C(=O)N3CCOCC3)C)Cc2nc1N	PC-id_82194257	282.362	HYPFOCHAGBIMBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045376
c12C(C)CCc1nn(Cc1ccc(cc1)OCC1CC1)c2	MCULE-4143997985,EMOLS-id_331001255	282.38	SQFUQMDCOPLUJK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-045377
CC1CCc2c1c(CO)nn2Cc1ccccc1C1CC1	MCULE-6474216816,EMOLS-id_331006717	282.38	IIAASCLDRSXBMQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045378
CC1CCc2c1c(CO)nn2Cc1cccc(c1)C1CC1	MCULE-8559513048,EMOLS-id_331010045	282.38	AATIOAAKZJGDRD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045379
CC1CCc2c1c(C=O)nn2Cc1c(C)cc(C)cc1C	EMOLS-id_331002103,MCULE-5966050807	282.38	WVBUVELAEGLBFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045380
CC1CCc2c1c(C=O)nn2Cc1cc(C)c(C)cc1C	EMOLS-id_331005942,MCULE-6916072080	282.38	IGFDPXSRCCUETF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045381
CC1CCc2c1cnn2Cc1ccc(OCC2CC2)cc1	EMOLS-id_331015402,MCULE-1290010988	282.38	RMEWMQJUSKZZEG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-045382
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(CO)c12	MCULE-1627675348,EMOLS-id_330992824	282.38	NSSIRKKPIIQHAP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045383
CC1CCc2nn(Cc3ccccc3C3CC3)c(CO)c12	MCULE-5322258266,EMOLS-id_330993591	282.38	PSHPONMHVLKSAO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045384
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(C=O)c12	EMOLS-id_330985906,MCULE-8895352699	282.38	LCYJTUJGRSCRIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045385
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(C=O)c12	MCULE-4171130374,EMOLS-id_330985650	282.38	ZMVSACWRFKMPDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045386
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1O	EMOLS-id_331007398,MCULE-1069673134	282.38	AMDWZSWVGJQCNI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045387
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1O	EMOLS-id_331009447,MCULE-8480873983	282.38	AQKKSHSYSYRRNU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045388
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1O	MCULE-9793636862,EMOLS-id_331009187	282.38	ZYBDHMFJTBLGSC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045389
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330989493,MCULE-4861955247	282.38	UFLWVBMAATXSFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045390
CCc1ccccc1C(C)n1nc2CCC(C)c2c1C=O	MCULE-4228436897,EMOLS-id_330986935	282.38	USZISAGOSUSYEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045391
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C=O	MCULE-6374700581,EMOLS-id_330986675	282.38	HCLYPUFFRFBAEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045392
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986422,MCULE-3749112697	282.38	ZLRIGXYTFBKFKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045393
c12CN(Cc1nn(CC1CCC1)c2N)Cc1ccccc1	MCULE-6181099332,EMOLS-id_324340326	282.383	NIBJMJFJCORISO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-045416
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1C=O	MCULE-1852847093,EMOLS-id_330989237	282.38	LANKANHYXGSNBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045394
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1C=O	MCULE-5007296795,EMOLS-id_330987191	282.38	SUQMYPVRZSXFPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045395
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1C=O	MCULE-7996197020,EMOLS-id_330986931	282.38	YQJZSBDZAJFUBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045396
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986166,MCULE-8096363719	282.38	XVTRMPRGKYAXJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045397
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1C=O	MCULE-4169408665,EMOLS-id_330986419	282.38	XUJQKEDLEAABJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045398
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1C=O	MCULE-5565587143,EMOLS-id_330986162	282.38	OFYQCFPZQWTMDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045399
CC(C)c1ccccc1Cn1nc(C=O)c2C(C)CCc12	MCULE-1475453862,EMOLS-id_331002359	282.38	XKXLRAOYSWBTOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045400
CC(C)c1cccc(Cn2nc3CCC(C)c3c2C=O)c1	EMOLS-id_330988978,MCULE-9311547331	282.38	HOEIIEJCQLNFSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045401
CC(C)c1cccc(Cn2nc(C=O)c3C(C)CCc23)c1	MCULE-8923483637,EMOLS-id_331005175	282.38	FOZQJRGXTBRZPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045402
CCCc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1	EMOLS-id_330985145,MCULE-5977192163	282.38	VOWRDTJYXBZIKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045403
CC(C)c1ccc(Cn2nc3CCC(C)c3c2C=O)cc1	MCULE-6404845973,EMOLS-id_330985401	282.38	MCJYYPFWDNDCMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045404
CCCc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1	EMOLS-id_331001342,MCULE-8491747315	282.38	QHRSGVJJLCOZMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045405
CC(C)c1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1	EMOLS-id_331001598,MCULE-9262715224	282.38	ZEVCIIGSHKALLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045406
CCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328209790,MCULE-6049629146	282.38	KYELHWBJLZWZEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045407
CC(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5030345343,EMOLS-id_328215409	282.38	AGCDCMPNISZIIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045408
O=C(N(C1CC(n2c1ccc2)(C)C)Cc1ccccc1)C	PC-id_4056793	282.38	NBPQBIGDJZBHNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045409
c1(c(c2CCCc2s1)C#N)NC(=O)CS(=O)CC	MCULE-7210144412,EMOLS-id_186615875	282.382	LRKNVUXTXGFFHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045410
CCNc1c2CN(C(c2nn1COOCC)(C)C)CC	PC-id_89116255,SCHEMBL13559225	282.382	FCQYWGATKLXVPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045411
CCOC(=O)C[n+]1c(sc2c1CCC2)/N=C/N(C)C	PC-id_136044846	282.382	BNWASRLJNSWHMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045412
O[C@@H]1CC[N@H+](CC1)CC(=O)/N=c/1[nH]c2c(s1)CCC2	GD-id_ZINC48554229	282.382	MVWPJSSAQTXUDE-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-045413
s1c2CCCc2c(c1NC(=O)CSCCO)C#N	PC-id_83478182	282.382	YCQCHNLOGAGAAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045414
s1c(c2n(C(N([O])C2(C)C)(C)C)c1=N)C(=O)CCC	PC-id_11065919	282.382	HAECZGWRLCRYBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045415
C1CCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-5686421891,EMOLS-id_318227990	282.383	PRBFGZXNTJEJQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045417
c1ccc(cc1)CN1CCC(C1)NC1CCn2c1ncc2	MCULE-2562824121,EMOLS-id_317966117	282.383	QOPKVVASJXMGQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045418
c1ccc(c(c1)N1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318175586,MCULE-1378036087	282.383	KONKETBIPGUNIJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045419
c1ccc(cc1)N1CCCC(C1)NC1CCn2c1ncc2	MCULE-3140548762,EMOLS-id_318102163	282.383	DNCIHKOOLRNGLG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-045420
c1ccc(cc1)NC1CCN(C1)Cc1cnc2n1CCC2	EMOLS-id_318542817,MCULE-9416236406	282.383	NGHUIVSMHMXQDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045421
c1ccc(cc1)NC1CCN(C1)Cc1nn2c(c1)CCC2	EMOLS-id_318478506,MCULE-3777826736	282.383	GEGKBJBOOMNMIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045422
c1ccc(N2CC[C@@H](NCc3n[nH]c4c3CCC4)C2)cc1	ZINC22_1506414670	282.383	HZOSTMVFKGISPT-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045423
c1ccc(N2CC[C@H](NCc3n[nH]c4c3CCC4)C2)cc1	ZINC22_1506414671	282.383	HZOSTMVFKGISPT-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045424
C1CCN(CC1)c1cccc(c1)NC1CCn2c1ncc2	EMOLS-id_318601715,MCULE-3186696379	282.383	DYGSRLMNLXCUJB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-045425
CC1CCC1Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-2842674343,EMOLS-id_318827268	282.383	MGSREWALCRCZMW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-045426
CC1CC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-9245028456,EMOLS-id_318799885	282.383	NTOWZMYTKQVWKH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-045427
CC1(CC(C1)NCc1nnc2n1CCC2)c1ccccc1	EMOLS-id_318759307	282.383	NYASHCQRRANFEK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-045428
CC1CC(c2n1ccn2)NCC1(CCC1)c1ccccn1	MCULE-1442977703,EMOLS-id_318371126	282.383	BEXDNRODIRTFHI-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-045429
CC1CC(c2n1ccn2)NC(c1cccnc1)C1CCC1	MCULE-5327614338,EMOLS-id_318012569	282.383	USCZIYHOQWXTRD-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-045430
CC1CC(c2n1ncn2)NC1(CCC1)Cc1ccccc1	MCULE-4514613946,EMOLS-id_318526174	282.383	GAWBDBDFQCGFLO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-045431
CC1CC(c2n1ncn2)NCC1(CCC1)c1ccccc1	EMOLS-id_318684844,MCULE-6815710204	282.383	AFLQVRJWTSTEIB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-045432
CC1CC(c2n1ncn2)NC(c1ccccc1)C1CCC1	MCULE-1649899578,EMOLS-id_318530360	282.383	FZPINUTZCIJLER-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-045433
CC1CC(c2n1ncn2)N[C@@H]1CCC[C@@H]1c1ccccc1	EMOLS-id_318465327,MCULE-2382304695	282.383	YWVXVINSHXVWFA-OYPFRJMLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045434
Cc1ccccc1C1(CNC2CC(n3c2ncn3)C)CC1	MCULE-7300160097,EMOLS-id_318562298	282.383	VPBWVMGXWMAKTK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045435
Cc1ccc(cc1)C(C1CC1)NC1CC(n2c1ncn2)C	MCULE-7149627999,EMOLS-id_318454737	282.383	MHPJUKRIIBMCQQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-045436
Cc1ccccc1C(C1CC1)NC1CC(n2c1ncn2)C	MCULE-8243628541,EMOLS-id_318627947	282.383	JOIIDSBCFHTPOD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-045437
CC1(C)CN(C1c1ccncc1)Cc1cnc2n1CCC2	EMOLS-id_318373717	282.383	NPNZPTDQKZIZSC-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-045438
CC(c1nnc2n1CCC2)NC1CC(C1)c1ccccc1	PC-id_43748179,MCULE-8602196502,EMOLS-id_318033502	282.383	SYDFUGAAHCKEBU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-045439
CC(=Cc1ccccc1)CNC(c1nnc2n1CCC2)C	EMOLS-id_317992133	282.383	ZRIMDCVQUUGDEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045440
C(NC1CCN(C1)c1ccccc1)c1n[nH]c2CCCc12	MCULE-4436919620,EMOLS-id_316267315	282.383	HZOSTMVFKGISPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045441
n12CCCc1nnc2C(NCc1c(C2CC2)cccc1)C	PC-id_79882698	282.383	WRNFJGNHVFZUOA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045442
n12CCCc1nnc2C(NCc1cc(C2CC2)ccc1)C	PC-id_79970179	282.383	HLGLPBNUIWOYFG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045443
n12CCCc1nnc2C(NCc1ccc(C2CC2)cc1)C	PC-id_79968495	282.383	JRTFKTIEJKKEAW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045444
N1CCN(C(C1)c1ccccc1)Cc1nn2c(c1)CCC2	EMOLS-id_318016416,MCULE-7860287164	282.383	RGIZMDJYZYHFAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-045445
N(C(C1CC1)c1ccccc1)C(c1n2CCCc2nn1)C	PC-id_61311428	282.383	GBGGVGDVKGUCSW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-045446
n1c[n+]2n(c1)CC(C2)SSC1C[n+]2n(C1)cnc2	PC-id_10594203,SCHEMBL9737753	282.388	CNCQAQDKLMZWFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045447
O=C(c1csc2c1C(C)(C)OC2(C)C)OC(C)(C)C	PC-id_114748303	282.398	OWKVVYUURQUHLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045448
O=C(c1ccccc1C1CCC1)c1sc2c(c1)CCC2	PC-id_115813654	282.4	KACIBDYEXAUDLD-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-045449
O=C(c1sc2c(c1)CCC2)c1ccc(cc1)C1CCC1	PC-id_115807868	282.4	LYXAPOGMQATKCH-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-045450
O=C(c1sc2c(c1)CCC2)c1cccc(c1)C1CCC1	PC-id_115814688	282.4	VSWRCTDMGRZARP-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-045451
CC1(c2c(C(O1)(C)C)sc(=N)n2CC1CCCO1)C	PC-id_89709621	282.402	ZMOQHCXHHXVEOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045452
CC(c1sc2c(n1)CCC2)NCC1(O)CCOCC1	PC-id_109908752	282.402	OYSBZBLIRSLYPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045453
CCCCCCCNC(=O)n1sc2c(c1=O)CCC2	PC-id_20159712,SCHEMBL10742905	282.402	MWDNUZIFBMYCMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045454
CC(CCCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104289162	282.402	HWZBKRRNKWDUKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045455
CCCCCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_113395758	282.402	RLMUSFPTKJSYRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045456
CC(C)(C)C(C(=O)OC)NCc1nc2c(s1)CCC2	PC-id_86785792,EMOLS-id_49926744,MCULE-3408374391	282.402	CAYQESRAGFJBDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045457
CCC(CC(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104288856	282.402	FJSYYDVADPRSLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045458
CC(CCC(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395794	282.402	AHZDSTMECABQLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045459
CCCCCNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287533	282.402	YNWCFKRLFFACCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045460
COC(=O)[C@H](NCc1nc2c(s1)CCC2)C(C)(C)C	PC-id_97859450,ZINC22_97236813	282.402	CAYQESRAGFJBDG-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045484
CC(C)[C@@H](CO)NC(=O)NCc1cc2c(s1)CCC2	MCULE-4193027311,PC-id_84586282,ZINC22_95408910,EMOLS-id_49095036	282.402	PQDCSSGNVHKHAX-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045461
CC(CC(N(c1nc2c(s1)CCC2C(=O)O)C)C)C	PC-id_104288424	282.402	PEIPGECMUSHDTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045462
CCC(C(Nc1nc2c(s1)CCC2C(=O)O)C)CC	PC-id_104288706	282.402	PTPGAOZPMYQLDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045463
CCC(CN(c1nc2c(s1)CCC2C(=O)O)CC)C	PC-id_104289073	282.402	QRZYMGVEINKFMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045464
CCCC(Nc1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_104287501	282.402	WBEGCVYNMCXQSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045465
CCCCN(c1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_113395677	282.402	LDZFDNNPCKKIKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045466
CC(C)(C)OC(=O)NCC(N)c1cc2CCCc2s1	MCULE-1006002691,EMOLS-id_313971281	282.402	AUGHIVQNZSCQTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045467
CC(C)(C)OC(=O)NC(CN)c1cc2CCCc2s1	MCULE-2577515922,EMOLS-id_313970769	282.402	PCQZCAUMTNFZIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045468
CC(CN(c1nc2c(s1)CCC2C(=O)O)C(C)C)C	PC-id_104288438	282.402	UVZYUECHRBWYKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045469
CCC(Nc1nc2c(s1)CCC2C(=O)O)(CC)CC	PC-id_104288910	282.402	HJCJPKGSRVAQSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045470
CCCN(c1sc2c(n1)C(CC2)C(=O)OCC)CC	PC-id_104287822	282.402	OBUWKMGUONIALL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045471
CCOC(=O)C1CCc2c1nc(s2)NCCC(C)C	PC-id_104287547	282.402	LONXJDLXRXCRJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045472
CCOC(=O)C1CCc2c1nc(s2)N(C(C)C)CC	PC-id_104287810	282.402	YIPRLUYRHXEIFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045473
CCOC(=O)C1CCc2c1nc(s2)N(CC(C)C)C	PC-id_104287819	282.402	LSTKWTOOIABPOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045474
CCOC(=O)C1CCc2c1nc(s2)N(C(CC)C)C	PC-id_104287825	282.402	DLRJLZQMTZLWOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045475
CCOC(=O)C1CCc2c1nc(s2)NC(C(C)C)C	PC-id_113395643	282.402	YZNLAFYRKRQBTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045476
CCOC(=O)C1CCc2c1nc(s2)NC(CC)(C)C	PC-id_113395645	282.402	SHNXOTNGMBYVKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045477
CCOC(=O)C1CCc2c1nc(s2)NC(CC)CC	PC-id_113395652	282.402	PQPKVAXQVOARFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045478
CCOC(=O)C1CCc2c1nc(s2)NCC(C)(C)C	PC-id_113395721	282.402	SAZIVEILXXBBDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045479
CCOC(=O)C1CCc2c1nc(s2)NCC(CC)C	PC-id_113395767	282.402	ZDLGUKWUIWHZIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045480
CCOC(=O)C1CCc2sc(N)c(CCN(C)C)c12	EMOLS-id_337900842	282.402	FZFNJYWIYUDLPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045481
CN(C)CCCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956538	282.402	CUYVNRQQVAXIFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045482
CN(CC(CNC(=O)c1sc2c(c1)CCC2)(O)C)C	PC-id_103840086	282.402	FMRJNZXRLUHAHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045483
COC(=O)[C@@H](NCc1nc2c(s1)CCC2)C(C)(C)C	ZINC22_97236812,PC-id_97859449	282.402	CAYQESRAGFJBDG-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045485
N=c1sc2c(n1C[C@H]1CCCO1)C(OC2(C)C)(C)C	SCHEMBL15135268	282.402	ZMOQHCXHHXVEOD-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045486
OCC1(CCOCC1)CNCc1sc2c(n1)CCC2	PC-id_109948750	282.402	JLSNKFIRLHGLON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045487
OC(=O)C1CCc2c1nc(s2)N(C(C(C)(C)C)C)C	PC-id_104288108	282.402	BSKRUPMQZZTKFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045488
OC(=O)C1CCc2c1nc(s2)NCC(C(C)(C)C)C	PC-id_113395832	282.402	QHCAXZCAIRWFMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045489
OC(=O)C1CCc2c1nc(s2)NCC(C(C)C)(C)C	PC-id_114102397	282.402	KNLKQFPMFBQQNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045490
s1c2CCCc2cc1CNCC(=O)NCCCOC	PC-id_61486117	282.402	PSBVZIYNQJQYDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045491
s1c2c(CCC2)cc1CNC(C(=O)NCCOC)C	PC-id_61207615	282.402	VYWVBQUVIRQSHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045492
s1c2CCCc2cc1CNCC(=O)NC(COC)C	PC-id_61487887	282.402	DZLSJZGWTIXYLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045493
s1c2c(CCC2)cc1CNC(=O)C(N)CCCOC	PC-id_81088949	282.402	XMQSPWRLJYUTEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045494
s1c2CN(Cc2cc1C(=O)NCCCOC)C(C)C	PC-id_53171008	282.402	LKBBBNSYVPCBAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045495
s1c2C(OC(c2c(c1N)C(=O)NCCC)(C)C)(C)C	PC-id_79915644	282.402	ZPQXOZIAVRVVQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045496
s1c2C(OC(c2c(c1N)C(=O)NC(C)C)(C)C)(C)C	PC-id_79916126	282.402	RWLTVJASCQYLPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045497
s1c(nc2c1CCC2)C(NCCOC)C1CCOC1	PC-id_62542264	282.402	COVVGGCMBSLEEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045498
s1c(nc2c1CCC2)C(NCCOC)C1OCCC1	PC-id_82837328	282.402	IXEMNVPVALOSTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045499
N#Cc1ccc(c(c1)C)CNCc1sc2c(c1)CCC2	PC-id_114479987	282.403	ZJAJAPQKLHMTJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045500
s1c2c(CCC2)cc1CNC(c1ccccc1)CC#N	PC-id_62779216	282.403	AUMGYILXXAAOFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045501
s1c2c(CCC2)cc1CNC(c1cc(ccc1)C#N)C	PC-id_61206857	282.403	KIFYOOADOTVBPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045502
s1c2c(CCC2)cc1CNC(c1ccc(cc1)C#N)C	PC-id_61207578	282.403	HNSCTKHUGHZDGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045503
s1c2c(CCC2)cc1CNCC(c1ccccc1)C#N	PC-id_64538646	282.403	ZIXUINWWCDLALC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045504
CC[C@@H](C(=O)NCCc1cn2c(n1)SCC2)N(C)C	EMOLS-id_316568372	282.405	UXLLVAHDDXVOQW-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-045505
s1c2CN(Cc2nc1N)CC(=O)N(CCC)CCC	PC-id_82194366	282.405	UAZIOONHRUFPGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045506
Sc1csc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_113906806	282.405	OQAVNSXLKAOPPQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045507
CSCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020419	282.408	QCRZHESWGABJMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045508
C[Si](C)(C)CCOCn1c2c(CCC2)c(n1)C(=O)O	SCHEMBL15564361,PC-id_90036726	282.411	MPMWGCNFVUEIFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045509
CSC(=C(C(=O)C1CCc2c1cc(o2)C)C)SC	PC-id_102374944	282.422	NIIJJMLFDPUIGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045510
O=c1sc2=C(C(=O)C(=c2s1)C(C)(C)C)C(C)(C)C	PC-id_102517164	282.422	QFVRZHMXFRULLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045511
CCCC(C(=S)N)NC(=O)c1sc2c(c1)CCC2	PC-id_61120696,EMOLS-id_314078650	282.425	FSSYRDDCQNBIBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045512
CCC(C(=S)N)(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_314930692,PC-id_61120959	282.425	KYKJPRYLOARBQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045513
CCC(NC(=O)c1sc2c(c1)CCC2)CC(=S)N	PC-id_62652167,EMOLS-id_314220316	282.425	STBFLFRFJBXFGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045514
NC(=S)CCCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_314953513,PC-id_64418924	282.425	NGZOFTDZMOXRRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045515
O=C(c1sc2c(c1)CCC2)NCC(C(=S)N)(C)C	PC-id_116362744,EMOLS-id_260872814	282.425	AEPVQAUZVMTLGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045516
O=C(c1sc2c(c1)CCC2)NC(C(=S)N)C(C)C	PC-id_64427993,EMOLS-id_315253707	282.425	ATDUIRRHCKQNQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045517
s1c2c(CCC2)cc1CNC(=O)C1NCCSC1	PC-id_82908741	282.425	QRWIGDWODNZNKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045518
s1c2CCCc2cc1C(=O)N(CCC)CC(=S)N	PC-id_61878609	282.425	XRJOMDOWLZLKSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045519
s1c2c(CCC2)cc1C(=O)N(C(C)C)CC(=S)N	PC-id_64474708	282.425	AIVHGRMZMMEFPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045520
s1c2CCCc2cc1C(=O)N(CC(C)C(=S)N)C	PC-id_54992357	282.425	FIXHIYBCQNAVPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045521
s1c2CCCc2cc1C(=O)N(CCC(=S)N)CC	PC-id_54988760	282.425	UWPCNNHJCLXPHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045522
s1c2c(CCC2)cc1C(=O)N(C(CC(=S)N)C)C	PC-id_63223494	282.425	RKGUWELBROZOTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045523
CCCCCCCCCCC1(C)Oc2c(O1)csc2	PC-id_141058652	282.441	NQPKBRGGRYNRFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045524
CCCCCCCCCCCc1csc2c1OCO2	PC-id_142758558	282.441	RPTWBCTYCMCECY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045525
CC(CCCCC1NC(n2c1csc2=O)(C)C)(C)C	SCHEMBL19522368	282.445	IACYYOXNMOUKLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045526
CC(CCC(CNCc1sc2c(n1)CCC2)(O)C)C	PC-id_109948639	282.445	OUUVAOOKCXIXSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045527
CCCC(CNC(c1sc2c(n1)CCC2)C)CCO	PC-id_109908796	282.445	BZVHMZQWEQJGOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045528
CCCC(CNCc1sc2c(n1)CCC2)(CCC)O	PC-id_109948617	282.445	STOFPXVWLJHIQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045529
CC(C(C(CNCc1sc2c(n1)CCC2)(C)C)O)C	PC-id_109948772	282.445	XIHIORYLQJGMBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045530
CCC(CNC(c1sc2c(n1)CCC2)C)(CO)CC	PC-id_110017320	282.445	LGSBVIUVRCHOGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045531
CCCNC(c1sc2c(n1)CCC2)CC(OC)(C)C	PC-id_106676102	282.445	XKVARQSCWOGJBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045532
COC(CC(c1sc2c(n1)CCC2)NC(C)C)(C)C	PC-id_106676109	282.445	GAUQWJSDHFMWKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045533
COCCNC(c1sc2c(n1)CCC2)(CCC)CC	PC-id_108422834	282.445	UYJHSTOFLPFFBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045534
OCC(CC(C)(C)C)NC(c1sc2c(n1)CCC2)C	PC-id_110017309	282.445	ZWWFJLQVPSLRQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045535
OCC(CCCNC(c1sc2c(n1)CCC2)C)(C)C	PC-id_109908784	282.445	ORXZAVDDDPITBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045536
OCCC(CNCc1sc2c(n1)CCC2)(CC)CC	PC-id_109948685	282.445	KLWGUDCTQSWXQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045537
OCCCN(CC(C)(C)C)Cc1sc2c(n1)CCC2	PC-id_109974798	282.445	VQXFLHSMCLRNFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045538
s1c2c(CCC2)cc1CNCC(O)CN(CC)CC	PC-id_61208165	282.445	GLLUJOWXOAYUOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045539
s1c2CCCc2nc1C(NCCOC)CCCCC	PC-id_55084687	282.445	IBQSJKZTOXWKLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045540
s1c(nc2c1CCC2)C(NCCC)(C(C)C)COC	PC-id_80410847	282.445	OIFCNVBZDYNWOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045541
s1c(nc2c1CCC2)C(NC(C)C)(C(C)C)COC	PC-id_80411225	282.445	VPWCTFHUXQIIKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045542
s1c(nc2c1CCC2)C(NCC)(CC(OC)(C)C)C	PC-id_61331834	282.445	RIXQYOUPSUFRHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045543
s1c(nc2c1CCC2)C(NCCOC)C(CC)CC	PC-id_55084641	282.445	MYNCVHILDXZIKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045544
s1c(nc2c1CCC2)C(NCCOC)C(CCC)C	PC-id_62542082	282.445	HXJFAMOKGRIDAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045545
s1c(nc2c1CCC2)C(NCCOC)(C(C)C)CC	PC-id_62542103	282.445	CCKIYWCMNFGUAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045546
s1c(nc2c1CCC2)C(NCCOC)(C(CC)C)C	PC-id_62542104	282.445	LXQRSWZZOSQRSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045547
s1c(nc2c1CCC2)C(NCCOC)(CC(C)C)C	PC-id_62542253	282.445	ZELBLIMPTOOOCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045548
s1c(nc2c1CCC2)C(NCCOC)CC(C)(C)C	PC-id_62951547	282.445	BIGABFOCZQRYTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045549
CN(CCCn1c(c2CCCc2c1O)O)[Si](C)(C)C	PC-id_91458229	282.454	WXQILEGVKHDAIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045550
Clc1c(I)nc2C(=O)CCn12	PC-id_137408148,SCHEMBL20640824,EMOLS-id_324035535	282.466	NBODKVOEBUYYKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045551
CC(=C)Cc1c2C(C)CCn2c(=S)n1C(S)(C)C	PC-id_142603100	282.468	YDEACVBBSDCRPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045552
CCCNC(c1sc2c(n1)CCC2)C1CCSC1	PC-id_113921386	282.468	DPVWAMLVNALEAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045553
CC(NC(c1sc2c(n1)CCC2)C1CCSC1)C	PC-id_113921388	282.468	BWQTWOYDWMQXJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045554
CCNC(C1(SC)CCC1)c1sc2c(n1)CCC2	PC-id_114269916	282.468	WXTOJKZWKZLICR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045555
CCSCCC(c1sc2c(n1)CCC2)NC1CC1	PC-id_116504486	282.468	XCFGUSYRGNKSGW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045556
CSC1(CC1)C(c1sc2c(n1)CCC2)NC(C)C	PC-id_114269917	282.468	JIGRZXQJZLOSGS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045557
CSCCCC(c1sc2c(n1)CCC2)NC1CC1	PC-id_103089617	282.468	MDWFRYAVCXTLOI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045558
s1c(CCCCCCCCCC)cc2c1CSC2	PC-id_46211121	282.508	VPFRRJDKALZLPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045559
[Te]1c2c(C=C1)c[se]c2	PC-id_85753133	282.656	ICKFMBKNXISCDN-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-045560
[Te]1c2c([se]cc2)C=C1	PC-id_85753120	282.656	NIHCQCJCMZXHDX-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-045561
[Te]1c2[se]ccc2C=C1	PC-id_85753112	282.656	YCHCUQCYLILVMT-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-045562
[Te]1C=c2c(=C1)[se]cc2	PC-id_85753126	282.656	MMRAMWRKKKYRMN-UHFFFAOYSA-N	00000000100000000000000010000000000000000000000000000000	25-01-045563
CC([n+]1ccn2c1[B@-](Cl)(CC2(C)C)C(C)(C)C)(C)C	PC-id_139122148,4119903_OpenMolecule	282.66	YOKNWDRNSMHJNP-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045564
CC1CCc2c1c(Cl)nn2Cc1cccc(F)c1F	EMOLS-id_330976240,MCULE-9968849566	282.716	TXEJLTLGJVVQHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045565
CC1CCc2c1c(Cl)nn2Cc1ccc(F)cc1F	MCULE-9548831076,EMOLS-id_330974448	282.716	XEMDAPQOYAURBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045566
CC1CCc2c1c(Cl)nn2Cc1ccc(F)c(F)c1	MCULE-6654956139,EMOLS-id_330974192	282.716	KCDWKEXMQBHNTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045567
CC1CCc2c1c(Cl)nn2Cc1cc(F)ccc1F	MCULE-5218859415,EMOLS-id_330976752	282.716	HHJSTTHLDVYTPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045568
CC1CCc2c1c(Cl)nn2Cc1cc(F)cc(F)c1	MCULE-5331009451,EMOLS-id_330974705	282.716	MOSCFFFUNZEPDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045569
CC1CCc2c1c(Cl)nn2Cc1c(F)cccc1F	MCULE-2161586601,EMOLS-id_330976496	282.716	GUVWUFUVAMAWLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045570
CC1CCc2nn(Cc3cccc(F)c3F)c(Cl)c12	MCULE-2514483431,EMOLS-id_331018669	282.716	DJOYFHDQVMEFJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045571
CC1CCc2nn(Cc3ccc(F)cc3F)c(Cl)c12	EMOLS-id_331020972,MCULE-6577595352	282.716	PVXKPKHOAAWXQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045572
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(Cl)c12	MCULE-1733257686,EMOLS-id_331020716	282.716	GSKCPCGTGMMXPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045573
CC1CCc2nn(Cc3cc(F)ccc3F)c(Cl)c12	MCULE-5181521832,EMOLS-id_331019181	282.716	ROBOSCAHYCJVBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045574
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(Cl)c12	EMOLS-id_331021229,MCULE-5512023574	282.716	MXFYOICATMVXKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045575
CC1CCc2nn(Cc3c(F)cccc3F)c(Cl)c12	MCULE-5486918925,EMOLS-id_331018925	282.716	ARBULYYQSSWGAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045576
Clc1ccc(Cn2c(O)c3n(CSC3)c2=O)cc1	PC-id_57295296	282.746	UNTLRUYMBWHMJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045577
Clc1sc(CC(=O)Nc2onc3CCCc23)cc1	PC-id_16942423	282.746	LEUFZAWTTRMJEC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045578
Clc1cnc(s1)C(=O)NCc1cnc2n1CCC2	MCULE-3599606522,EMOLS-id_319940158	282.749	ITXMBDACSZFWIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045579
O=C(C1NCc2c1c[nH]n2)NCc1cscc1Cl	EMOLS-id_320114849,MCULE-2030859082	282.749	LPNJIGDLSBIXTG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045580
Clc1ccc(c(c1)F)C(c1sc2c(c1)CCC2)O	PC-id_115827737	282.761	CPELUEBGDJSLSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045581
Fc1ccc(c(c1)C(c1sc2c(c1)CCC2)O)Cl	PC-id_113712086	282.761	CFIDDPQVIZEGSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045582
C1Cn2c(c[nH]c2=S)C1Cc1c(ccc(c1)Cl)F	PC-id_134377397,SCHEMBL20006204	282.764	NDQFPLFNQWZLOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045583
Clc1ccc(c(c1)C(c1sc2c(n1)CCC2)N)F	PC-id_114859136	282.764	XHTUCHAHCNWJAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045584
Clc1ccc(c(c1)F)C(c1sc2c(n1)CCC2)N	PC-id_114859134	282.764	LOADTXDFHFLXCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045585
Clc1cc(C(N)c2sc3CCCc3n2)ccc1F	PC-id_81154464	282.764	GCVZXJAHHKALCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045586
Clc1cc(F)c(NCc2sc3CCCc3c2)nc1	PC-id_79728030,EMOLS-id_314651474	282.764	CTOGVYSJILUCEK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-045587
Clc1c(C(N)c2sc3CCCc3n2)c(F)ccc1	PC-id_61331489	282.764	XEHSABQNGZOPNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045588
Clc1c(F)cc(C(N)c2sc3CCCc3n2)cc1	PC-id_54980337	282.764	AUMLANACKTUARM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045589
Fc1ccc(c(c1)Cl)C(c1sc2c(n1)CCC2)N	PC-id_108298426	282.764	JWFHOTNBDANFQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045590
Fc1cc(Cl)cc(c1)C(c1sc2c(n1)CCC2)N	PC-id_114453952	282.764	IFIACHXPVMKXKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045591
NC(c1cccc(c1F)Cl)c1sc2c(n1)CCC2	PC-id_114488385	282.764	PLEIYZUPJMHIHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045592
ClC1CCC(CC1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319279432	282.769	RWEGYXSJGYZCDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045593
Cc1cnc(o1)C(NC1CCc2c1cc(s2)Cl)C	PC-id_106387934	282.789	BBZNQJQDERCNRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045594
CCc1cnc(o1)CNC1CCc2c1cc(s2)Cl	PC-id_106368890	282.789	BTCMLSUDFMTTEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045595
CCn1ncc(c1C(c1sc2c(c1)CCC2)O)Cl	PC-id_115834844	282.789	SEYMUDKJXOGYOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045596
Clc1cc2c(s1)CCC2NCc1oc(c(n1)C)C	PC-id_106370434	282.789	HDGWKEHAOOUEAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045597
Clc1sc2c(C(NCc3c(onc3C)C)CC2)c1	PC-id_81251536	282.789	ORPOELFQJYOJCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045598
ClCCCCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_43346541,EMOLS-id_315954908	282.789	OWDXXJPVBGWPRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045599
ClCC(C(=O)Nc1sc2c(CCC2)c1C#N)(C)C	PC-id_63680906,EMOLS-id_315120835	282.789	IQAQQFBTOMSABR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045600
CC1CC(c2n1ncn2)NCCc1ccc(s1)Cl	MCULE-7427677416,EMOLS-id_318613005	282.792	SLQNAYCUSMMAMO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045601
CC(c1nnc2n1CCC2)NCc1ccsc1Cl	MCULE-9496767808,EMOLS-id_317940555	282.792	RQTFVDZAEBBMSC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045602
CC(c1nnc2n1CCC2)NCc1sccc1Cl	MCULE-3959982716,EMOLS-id_317916523	282.792	NYMVGNNHNQJURW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045603
C[C@@H](c1ccc(s1)Cl)NC1CC(n2c1ncn2)C	EMOLS-id_318827781	282.792	VEMMABDJZHNIFM-MGURRDGZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045604
C[C@H](c1ccc(s1)Cl)NC1CC(n2c1ncn2)C	MCULE-7579198553,EMOLS-id_318474009	282.792	VEMMABDJZHNIFM-QJAFJHJLSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045605
CCn1cnnc1CNC1CCc2c1cc(s2)Cl	PC-id_106302092	282.792	QPYWDSMLBPBTLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045606
Clc1cc2c(s1)CCC2NCCCn1ccnn1	PC-id_104443469	282.792	IKLCEMRNMJJCQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045607
Clc1ccc(s1)CNC(c1nnc2n1CCC2)C	EMOLS-id_317969163,PC-id_43433192,MCULE-3707243212	282.792	OMUNMILGWVWYQB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045608
Clc1ccc(s1)C(NCc1nnc2n1CCC2)C	MCULE-2335159759,EMOLS-id_318645682	282.792	MCWOZCZLZVOBRN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045609
Clc1c(CNCc2sc3c(n2)CCC3)cnn1C	EMOLS-id_318388088,MCULE-6396898135	282.792	GCKAFNCJGSWOPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045610
Clc1cc(sc1)CNC(c1n2CCCc2nn1)C	EMOLS-id_317930026,MCULE-6333476959,PC-id_79420420	282.792	IJRRYKRJZDMOQW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045611
Clc1cnc(n1C)CNCc1sc2c(n1)CCC2	MCULE-2584648811,EMOLS-id_318700378	282.792	GOJQIHYYVXDYFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045612
Clc1cnn(c1CNCc1sc2c(n1)CCC2)C	EMOLS-id_318752364,MCULE-4707287784	282.792	SEEMEVMNKLNWJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045613
Clc1sc2c(C(NC(c3n(cnn3)C)C)CC2)c1	PC-id_81251841	282.792	LPFCYPBUHUMTDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045614
Clc1sc2c(C(NCCc3n(cnn3)C)CC2)c1	PC-id_81252077	282.792	SXWVMYALOVQBGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045615
Clc1sc2c(C(NCCc3nn(cn3)C)CC2)c1	PC-id_81252821	282.792	SHPOUQIPOSQJNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045616
Clc1sc2c(C(NCCCc3[nH]ncn3)CC2)c1	PC-id_81251626	282.792	YEMFMAAZWJHCEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045617
Clc1scc(c1)C(NCc1nnc2n1CCC2)C	MCULE-7932502575,EMOLS-id_318496531	282.792	LIZVGSPEJTXISH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045618
Cn1nc(c(c1)Cl)CNCc1sc2c(n1)CCC2	EMOLS-id_318183252,MCULE-9097957838	282.792	FFYHIVAPXLBZDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045619
CNC(c1ncc(n1C)Cl)c1sc2c(n1)CCC2	PC-id_114239399	282.792	PDEWTHGQYQDQRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045620
NNC(c1c(Cl)cnn1C)c1sc2c(c1)CCC2	PC-id_105338830	282.792	LKNZWYIYUMLTPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045621
CC(C1CCCOC1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007421,MCULE-2013490747	282.809	IVBNTFLTBWOPEQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045622
CC(C1CCOCC1)n1nc2CCC(C)c2c1CCl	MCULE-1051973010,EMOLS-id_331006909	282.809	WNSFYFLWYIWXGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045623
Clc1ccc(s1)CC(=O)c1sc2c(c1)CCC2	PC-id_114967574	282.809	QIZSCVYVEFXJMZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-045624
O=C(c1sc(c(c1)C)Cl)c1sc2c(c1)CCC2	PC-id_102762881	282.809	WONXDDYEDCWIQS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-045625
Clc1sc2c(C(NC3CN(C4CC4)CC3)CC2)c1	PC-id_81252401	282.832	UMLDCAKCNMUOLS-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-045626
ClC(c1sc2c(CCC2)c1)c1c(sc(c1)C)C	PC-id_63432630	282.852	COSDHJLAGVXNJM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-045627
ClC(c1sc2c(CCC2)c1)c1sc(cc1)CC	PC-id_63431038	282.852	NHMSZRFJDAMFRH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-045628
ClC(c1sc2c(CCC2)c1)c1sc(cc1C)C	PC-id_81157615	282.852	ZFBYKRUMFSOOBT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-045629
C1=CSC2=C1C(=O)C(C2NC(=O)C(F)(F)F)Cl	PC-id_153785722	282.968	SGKAISUENLEFBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045630
Brc1sc(Br)c2c1CNC2	SCHEMBL9408063,PC-id_18947068	282.984	KCJGHVZIUWJXLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045631
IC1=NS(=O)(=O)c2c1occ2	PC-id_70333878,SCHEMBL8285761	283.044	LMFOWYUBZZGYQL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-045632
CC1C(=CC2=CC(=CN12)Br)[C@H](C)OC(C)C	SCHEMBL19964360,PC-id_149334387	283.057	YCYGOOIWSZCXHX-AXDSSHIGSA-N	00000011100000000000000010000000000000000000000000000000	25-01-045633
COC1=CC=C(C=C1)C(=O)C2(C=CN3C2=CC=C3)C(=O)O	PC-id_154455286	283.084	CXRMTYAATONXON-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-045634
CC1CCc2c1c(Br)nn2CC(F)(F)F	EMOLS-id_330971895,MCULE-2258909529	283.088	NHPWAYDGYNOUFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045635
CC1CCc2nn(CC(F)(F)F)c(Br)c12	EMOLS-id_331020713,MCULE-7958461342	283.088	CBYOXRUOPQWGGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045636
CC1=CN2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154663315	283.112	AWAXCIBFRUQDKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045637
Nc1sc(c2c1N=S=N2)I	PC-id_144833445	283.113	DWZWIIPJOXQBFC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-045638
[se]1c2CC(Cc2sc1=[SeH])C	PC-id_85950099	283.131	HFNFBUYTNGIKFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045639
C/C=S(/C)C1=NC2=C(N1)CN(C2)C(=O)OC(C)(C)C	PC-id_164029654	283.135	VGTJBFCJNNJVQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045640
CCN1C2=C(CCC2)C(=N1)C(=O)N3CCCC(C3)(F)F	PC-id_153600501	283.15	IBOAAADSUHBDML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045641
Cc1nc2c(s1)[I]=C(S2)C	PC-id_88562780,SCHEMBL10075549	283.153	GXKGGIPWVUJIOE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-045642
C1CC2=NN=C(N2C1)CN3CCN(CC3)C4=CC=CC=C4	MCULE-6247253886,ZINC22_1888863659,EMOLS-id_324187524,PC-id_154882661	283.18	MIQVUMSDQRJNMI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-045643
NC(=O)Cn1nc(c2c1C(F)(F)C[C@@H]2C)C(F)(F)F	PC-id_145080445	283.198	TVKLZZJBSQEKQC-BYPYZUCNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045644
Brc1c2CCCc2nn1CC1CCCCC1	EMOLS-id_324388698,MCULE-2118033622	283.207	PRFQKXJOJZJLDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045645
CC1CCc2c1c(CBr)nn2CC1CCC1	EMOLS-id_331032587,MCULE-2583521401	283.207	HONHNLBZUQCWTD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045646
CC1CCc2nn(CC3CCC3)c(CBr)c12	EMOLS-id_331016890,MCULE-8157493548	283.207	GDUDZPGXCKTHRO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045647
CC(C1CC1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331017650,MCULE-3418171464	283.207	UCTYVEAEBRLDAX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045648
CC(C1CCC1)n1nc2CCC(C)c2c1Br	EMOLS-id_331018657,MCULE-7810157335	283.207	WZWNJNAYFVODRG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045649
CC(n1nc2CCC(C)c2c1Br)C1(C)CC1	EMOLS-id_331018159,MCULE-7415687164	283.207	QLCKDEWQVNHPFM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045650
N#Cc1[se]c2c(c1N)C(N(C2(C)C)[O])(C)C	PC-id_101507340	283.208	SVBCQPXAAZVZJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045651
ClC(c1sc2c(CCC2)c1)c1ccc(Cl)cc1	PC-id_55198682	283.216	BGYDKQMTJXUGNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045652
FC(c1cccc(c1)OCc1nnc2n1CCC2)(F)F	PC-id_2381692,CHEMBL1582620,CoCoCo_3779275	283.249	LNIFWHGYXFJMDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045653
FC(Oc1ccc(cc1NC1CCn2c1ncc2)F)F	EMOLS-id_318683507,MCULE-2766308710	283.249	MPLXBZMXVWENRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045654
FC(Oc1cccc(c1)NC1CCn2c1ncc2)(F)F	MCULE-9181012820,EMOLS-id_317956472	283.249	WXWOFPMGPFWTQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045655
FC(Oc1cc(F)ccc1NC1CCn2c1ncc2)F	MCULE-7393987803,EMOLS-id_318452405	283.249	MTQKGJWFIUIWAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045656
C1Cc2nn(c(=O)n2C1)CC(COS(=O)O)(F)F	PC-id_89164175	283.252	VWXCMYNVOJNXRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045657
Cc1cc(C(F)(F)F)nc(N[C@@H]2Cc3cncn3C2)n1	ZINC22_894995793	283.252	GFMXPUXYWCACST-MRVPVSSYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045658
Cc1cc(C(F)(F)F)nc(N[C@H]2Cc3cncn3C2)n1	ZINC22_894995794	283.252	GFMXPUXYWCACST-QMMMGPOBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045659
Cc1nc(NC2Cc3n(C2)cnc3)nc(c1)C(F)(F)F	EMOLS-id_316288650,MCULE-1586194036	283.252	GFMXPUXYWCACST-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045660
CCOC(=O)C(=O)c1c2CC(Cn2c(c1C)C(=O)O)F	PC-id_134302972,SCHEMBL19920690	283.252	BLNNVFLZFQSVDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045661
CCOC(=O)C(=O)c1c2C[C@H](Cn2c(c1C)C(=O)O)F	PC-id_134302944,SCHEMBL19920662	283.252	BLNNVFLZFQSVDK-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045662
FC(c1ccc(cn1)NCc1nnc2n1CCC2)(F)F	EMOLS-id_318487194,MCULE-9945005844	283.252	HGPGKZBCDWGFBW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045663
FC(c1cccc(n1)NCc1nnc2n1CCC2)(F)F	MCULE-8738008705,EMOLS-id_318587182	283.252	ZZWOUUYUQGQCHV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045664
FC(c1ccc(nc1)NCc1nnc2n1CCC2)(F)F	EMOLS-id_318587189,MCULE-8309337573	283.252	PMDIRWGUYHCBQL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045665
FC(c1cccnc1NCc1nnc2n1CCC2)(F)F	EMOLS-id_318802689,MCULE-5384166261	283.252	NOGSRISNFNZFFC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045666
FC(c1ccnc(c1)NCc1nnc2n1CCC2)(F)F	EMOLS-id_318606693,MCULE-3054589310	283.252	RRATYFIUIAWGQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045667
FC(c1ccnc(n1)NCc1[nH]nc2c1CCC2)(F)F	CoCoCo_1506828,CoCoCo_1506829	283.252	YIPBZGVBNPLBEC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-045668
FC(c1ncccc1NCc1nnc2n1CCC2)(F)F	EMOLS-id_318478840,MCULE-2804796706	283.252	HTKGCRVKJMDBTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045669
FC(c1nccc(c1)NCc1nnc2n1CCC2)(F)F	EMOLS-id_318542841,MCULE-8281896857	283.252	NTGOYAIATHMUAF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045670
O=S(=O)OCC(Cn1nc2n(c1=O)CCC2)(F)F	SCHEMBL13760545	283.252	UZVKWJMFRAWYKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045671
COc1ccc(cc1)C(=O)c1ccc2n1CC=C2C(=O)O	SCHEMBL11347848,PC-id_70568483	283.279	NEOWDBCEIPUNBW-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-045672
OC(=O)Cn1[nH]c2c(c1=O)CN(C2)C(=O)OC(C)(C)C	PC-id_105523415	283.28	XVXGNWDRFQAWOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045673
N#Cc1cc(cnc1OC)NC(=O)c1cn2c(n1)CCC2	MCULE-4719693254,EMOLS-id_320220527	283.285	PGDQAUDDOOWNOC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-045674
O=c1ccc(nn1Cc1nnc2n1CCC2)c1ccco1	EMOLS-id_318964887	283.285	FFZHCCDTCIVFJK-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-045675
c12CN(Cc1nn(CC1CCC1)c2C#C)CC(F)(F)F	MCULE-9501110307,EMOLS-id_324358240	283.292	NFFFAUUWQYCRBS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045676
C1CCN(C(C1)CCO)C(=O)c1nn2CCOc2c1F	PC-id_91960129	283.299	DSWILDDPPKNFAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045677
c1(NC(=O)C(=O)OCC)sc2c(CCC2)c1C(=O)O	PC-id_8070836,EMOLS-id_4745870,ZINC22_6758731,MCULE-9643800734,STOCK6S-14200	283.3	RKPDDNYMVXBSBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045678
CCOC(=O)c1c(NC(=O)C(=O)O)sc2CCCc12	MCULE-8283143247,EMOLS-id_328048092	283.3	RNNVNNBVKRZUMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045679
COC(=O)/C(=c/1sc2=CCCn2c1=O)/CC(=O)OC	PC-id_102385550	283.3	ZSUOGUSRSSHTIP-YFHOEESVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-045680
OC(=O)C[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_113226126	283.3	DYBJCOYNKPHDTI-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045681
s1c2CCCc2cc1C(=O)NC(CC(=O)O)C(=O)O	PC-id_78910346	283.3	DYBJCOYNKPHDTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045682
s1c2CCCc2cc1C(=O)N(CC(=O)O)CC(=O)O	PC-id_63651789	283.3	RSOWBJVXPWHUTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045683
s1c2CCCc2cc1C(=O)N[C@H](CC(=O)O)C(=O)O	PC-id_81639781	283.3	DYBJCOYNKPHDTI-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045684
s1c2c(CCC2)c(c1NC(=O)CC(=O)O)C(=O)OC	PC-id_62231420	283.3	CFDAKRSRUCDSSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045685
c1(NC(=O)C(=O)NN)sc2c(CCC2)c1C(=O)OC	MCULE-8127679999,EMOLS-id_4751685,PC-id_8072984,STOCK6S-17865	283.304	ILBRORXPDHNEDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045686
Fc1cccc(c1)c1ccn(n1)Cc1nnc2n1CCC2	EMOLS-id_319017149	283.304	ISSRPSRTTUGHPR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045687
s1c2CCCc2nc1NC(=O)NC(=O)CCC(=O)O	PC-id_61512198	283.304	XPTHYKYCHMFYJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045688
CCc1nc(NS(=O)(=O)c2cnc3n2CCC3)no1	ZINC22_328597342	283.307	ADDAWAVVQIBIHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045689
O=S(=O)(N1CCn2c1ncc2)CCCn1cnnn1	EMOLS-id_320256216,MCULE-1864883327	283.31	XTIBCKVYTAZLKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045690
Fc1cc(F)c(cc1C(c1sc2c(c1)CCC2)N)F	PC-id_103301612	283.312	CZZQUKAOVBVCPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045691
FC(c1ccn2c1CS[C@@H]2Cc1ccccc1)(F)F	PC-id_102199054	283.312	PBVNMJKJLISHQZ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045692
NC(c1ccc(c(c1F)F)F)c1sc2c(c1)CCC2	PC-id_115855137	283.312	LUIYRAOWRDGJJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045693
s1c2c(CCC2)cc1C(N)c1c(F)cc(F)cc1F	PC-id_43464435	283.312	RUBQTNFPIZJWID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045694
c1(C(F)F)c2CCCc2n(CC(=O)NC2CCCC2)n1	EMOLS-id_8867541,PC-id_19591019,ZINC22_36613974,MCULE-2348569463	283.317	FTFZUHHRQOSQLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045695
O=C(C1CCCC(C1)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319009474	283.317	ZRNOVBCFUUAPPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045696
O=C(CC1CCC(C1)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318898670	283.317	DRIXARKEKDZACR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045697
O=C(CC1CCCC1(F)F)NCc1cnc2n1CCC2	EMOLS-id_320181201,MCULE-9218863276	283.317	BVZLVGBAQPAWOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045698
O=C(CC1CCCC1(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319329782	283.317	SSCYXCRFMLUGNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045699
O=C(CC1CCC(C1)(F)F)NCc1n[nH]c2c1CCC2	MCULE-2567103808,EMOLS-id_320296508	283.317	CSAASLOUECHAEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045700
O=C(NC1CCC(C(F)F)CC1)c1cc2n(n1)CCC2	EMOLS-id_316910198,MCULE-3338013039,ZINC22_334706190	283.317	UMSRKJUBLKPZSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045701
O=C(N1CCC(C1)(F)C(=O)O)c1sc2c(c1)CCC2	PC-id_119258209	283.319	CPLPVBPSWPGNTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045702
O[C@@H]1CCn2c1c(cc2)OC(=O)[C@@]([C@@H](O)C)(C(C)C)O	PC-id_101993035	283.32	QZOYKYHYJBMKJA-RBZYPMLTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045703
Cc1cc2n(c1C(=O)c1ccccc1)CCC2(C)C(=O)O	CHEMBL353940,PC-id_13780985	283.322	XRVLDSVAJCGTNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045704
Cc1ccc(C(=O)c2c(C)cc3n2CCC3C(=O)O)cc1	PC-id_13780971,CHEMBL167275,SCHEMBL11042084	283.322	TXPKDNHCKLDGPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045705
CCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	CHEMBL353496,PC-id_13780975,SCHEMBL11604699	283.322	VHFOHRWLWQSGMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045706
CCc1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_70504771,SCHEMBL11058846	283.322	KZUSNAPRVNKKES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045707
CCc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11603606,PC-id_20351641	283.322	LGACAFOYRQYTGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045708
CCc1c(C(=O)c2ccccc2)n(c2c1OC(=O)C2C)C	PC-id_18424265,SCHEMBL7678745	283.322	KMXPYRWMUVCPJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045709
CCCC1C(=O)Oc2c1n(C)c(c2)C(=O)c1ccccc1	SCHEMBL7680776,PC-id_54562095	283.322	ZRHCFWDUJUHBEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045710
CC(=O)c1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)O	PC-id_59180247,SCHEMBL1004863	283.322	WMRUUKOLFNDMNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045711
CCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL11603627,PC-id_9814350,EMOLS-id_193070039,MCULE-7921379439	283.322	ZXHMVDVCMQIUCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045712
CCOC(=O)[C@@H]1CCn2c1cc(c2)C(=O)c1ccccc1	EMOLS-id_323950865	283.322	VVSOPTLNLFLYMB-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045713
CCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_67665148,PC-id_76968153	283.322	ZXHMVDVCMQIUCB-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045714
CCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_67665150,PC-id_76968154	283.322	ZXHMVDVCMQIUCB-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045715
COc1cccc(c1)/C=C
/CCc2c1cc([nH]2)C(=O)OC	PC-id_67268990,SCHEMBL2074329	283.322	RAGGXRQHKCDKDU-WQLSENKSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045716
COc1cccc(c1)/C=C/1CCc2c1cc([nH]2)C(=O)OC	SCHEMBL2074331	283.322	RAGGXRQHKCDKDU-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045717
COc1cccc(c1)/C=C/1CCc2c1[nH]c(c2)C(=O)OC	SCHEMBL1005090	283.322	WFKIKGJEIVBHSB-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045718
COC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)C	PC-id_20405033,SCHEMBL11005410	283.322	JAPIMNLAKQTRJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045719
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C	SCHEMBL11002728,PC-id_20405012	283.322	VSXONOBKCLVXNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045720
O1c2c(n(c(c2C)C(=O)c2c(cccc2)C)C)C(C1=O)C	SCHEMBL7680832,PC-id_54505105	283.322	YFCZHKLQOULICG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045721
O1c2c(n(c(c2C)C(=O)c2ccc(cc2)C)C)C(C1=O)C	SCHEMBL7682237,PC-id_53930901	283.322	IRALGAQYLWNHJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045722
O1c2c(n(c(c2)C(=O)c2ccc(C(C)C)cc2)C)CC1=O	PC-id_18424294,SCHEMBL7676820	283.322	APVMMNXWXFQJRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045723
O=C1N(CCCc2ccccc2)C(=O)c2c1c(C)oc2C	PC-id_117998381,SCHEMBL16623375	283.322	KSELMQIBSXXWCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045724
O=C(C1c2cc(cn2CC1)C(=O)c1ccccc1)OCC	MCULE-7924177480	283.322	VVSOPTLNLFLYMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045725
OC(C1CCn2c1ccc2C(=O)c1ccccc1)C(=O)C	SCHEMBL10926644,PC-id_70474881	283.322	WPWQJESRKTVASD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045726
O=C(c1occ2c1CCC2)N[C@@H]1CO[C@H]1c1ccccc1	EMOLS-id_319931490,MCULE-7336659681	283.322	YPWDWVHDLBWHKQ-CABCVRRESA-N	00001010100000110000100010000000000000000000000000000000	25-01-045727
OC(=O)C1c2n(CC1)c(c(c2)C)C(=O)c1c(cccc1)C	SCHEMBL11602554,PC-id_20351611	283.322	BTYGLHCWBWVQBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045728
OC(=O)C1(CCn2c1cc(c2)C)C(=O)c1cc(ccc1)C	PC-id_70618986	283.322	HZPBFVJSURZIPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045729
O(C(=O)C1(CCn2c1ccc2C(=O)c1ccccc1)C)C	PC-id_18335750	283.322	IDMSYYMJXYYHRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045730
OC(=O)C1CCn2c1cc(c2C(=O)c1cc(ccc1)C)C	PC-id_20351576,SCHEMBL11603465	283.322	HWZYQXGDGGRWFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045731
OC(=O)C1CCn2c1ccc2C(=O)CCc1ccccc1	PC-id_85749642	283.322	ITBMKGOOXASCOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045732
O(C(=O)c1[nH]c2c(CCC2=Cc2cc(OC)ccc2)c1)C	PC-id_66873897	283.322	WFKIKGJEIVBHSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045733
O(C(=O)c1[nH]c2CCC(=Cc3cc(OC)ccc3)c2c1)C	PC-id_67268992	283.322	RAGGXRQHKCDKDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045734
O=S(=O)(c1scc2c1OCO2)Nc1ccccc1	PC-id_69935506,SCHEMBL6913707	283.323	JDUHDESJSCOQEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045735
s1c2c(CCC2)c(c1NC(=O)N(CCO)C)C(=O)[O-]	PC-id_8071354	283.323	AZGXUAZYBIEZLE-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-045736
OCC(c1nc2c([nH]1)COC2C)NC(=O)OC(C)(C)C	PC-id_102970347	283.324	DAPCUFWMSFBOSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045737
OCCCn1[nH]c2c(c1=O)CN(C2)C(=O)OC(C)(C)C	PC-id_105523519	283.324	ISESZNNPXPIFNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045738
c1(C(=O)Nc2ccc(cc2)C(=O)C)c2CCCc2n(C)n1	PC-id_110389110,MCULE-2565288644,EMOLS-id_179745394	283.325	CKPIMRUTBHHTPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045739
c1(C(=O)Nc2cccc(C(=O)C)c2)c2CCCc2n(C)n1	MCULE-3840770689,EMOLS-id_179745391,PC-id_110389109	283.325	FPLBHEAYVWISDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045740
C[C@]1(c2ccccc2)C[C@H]1NC(=O)N1Cc2conc2C1	ZINC22_1875394586	283.325	OCRKSLPCWPAVCQ-GDBMZVCRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045741
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N1Cc2conc2C1	ZINC22_1875394587	283.325	OCRKSLPCWPAVCQ-GOEBONIOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045742
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)N1Cc2conc2C1	ZINC22_1875394588	283.325	OCRKSLPCWPAVCQ-HOCLYGCPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045743
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)N1Cc2conc2C1	ZINC22_1875394589	283.325	OCRKSLPCWPAVCQ-ZBFHGGJFSA-N	00100010100000110001100010000000000000000000000000000000	25-01-045744
C=CCOc1ccccc1C(=O)NC1CCn2c1cnc2	MCULE-7330079424,EMOLS-id_177346203	283.325	MVWLBBUYABWDJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045745
C=CCOc1ccccc1C(=O)N[C@@H]1CCn2cncc12	ZINC22_585122653	283.325	MVWLBBUYABWDJG-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045746
C=CCOc1ccccc1C(=O)N[C@H]1CCn2cncc12	ZINC22_585122654	283.325	MVWLBBUYABWDJG-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045747
CC(Oc1ccccc1C=C1C(C)n2c(C1=O)ncn2)C	EMOLS-id_278712872	283.325	WIVWSINYDHCVTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045748
CC(Oc1ccc(cc1)C=C1C(C)n2c(C1=O)ncn2)C	EMOLS-id_278712898	283.325	LARLGAGKMMLJFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045749
CC(Oc1cccc(c1)C=C1C(C)n2c(C1=O)ncn2)C	EMOLS-id_278712913	283.325	PSJLIRRXOUKVPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045750
CC(=O)Nc1ccc(cc1)NCC1Cn2c(C1=O)ccc2	SCHEMBL8829575,PC-id_54531065	283.325	YWOOJRUPFAATIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045751
COc1ccc(cc1)CCNC(=O)C1C=Cc2n1cnc2	PC-id_145724764	283.325	AGRVPKZZRFADDY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-045752
O=C1CCN1c1cccc(c1)OCc1nn2c(c1)CCC2	EMOLS-id_319851044	283.325	KSUGPDJBTQYNDU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-045753
O=c1n2n(C(=C)C(C2=C)(Cc2ccccc2)C)c(=O)n1C	PC-id_10636709	283.325	IZJLMWLHZXTGCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045754
O=C(c1n[nH]c2c1CCC2)N[C@@H]1CO[C@H]1c1ccccc1	EMOLS-id_319949840,MCULE-5766150350	283.325	PPUOJQRNSYHPOZ-HIFRSBDPSA-N	00001010100000110001100010000000000000000000000000000000	25-01-045755
O=C(c1oc2c(n1)CN(C2)Cc1ccccc1)NC1CC1	PC-id_97410645	283.325	BBVZYPBIVLVJJC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-045756
O[C@@H]1C[C@](C1)(c1ccccc1)C(=O)N1CCn2c1ccn2	EMOLS-id_278805592	283.325	AECKWPDIPPJKGW-AKAXFMLLSA-N	00001010100000110001100010000000000000000000000000000000	25-01-045757
O=C(NC1CCn2c1cnc2)/C=C/c1ccc(OC)cc1	PC-id_21608159	283.325	REVONOCPQQBYMH-QPJJXVBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045758
O=C(NC1CCn2c1cnc2)C=Cc1ccc(OC)cc1	PC-id_73800923	283.325	REVONOCPQQBYMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045759
O=C(Nc1n(nc2c1CCC2)C)c1ccc(cc1)C(=O)C	PC-id_45536280	283.325	IOTVKIGBRVERCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045760
S(CC1Oc2n(C1)cc(n2)[N+](=O)[O-])c1sccc1	PC-id_11358048	283.327	OBRZAHUXIGEPBT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-045761
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1cnccn1	PC-id_110096284,EMOLS-id_48387293,MCULE-4813196622,BDE-30146686	283.328	NMDDZUWFBVCSLJ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045762
c1(C(=O)NN=C(C)c2ccc(cc2)N)c2CCCc2[nH]n1	PC-id_869993,MCULE-6286386133	283.328	APOKTMMMJGTVIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045763
CCCCc1nnc2n1N=C(C2=Nc1ccc(cc1)O)C	PC-id_136030559	283.328	CTCJVRABYYBSAV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-045764
C/C(=NNC(=O)c1n[nH]c2CCCc12)/c1ccc(N)cc1	CoCoCo_696295,EMOLS-id_25879519,PC-id_5342714,CoCoCo_696293	283.328	APOKTMMMJGTVIS-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045765
Cn1nc(c2c1CN(C2)Cc1cocc1)Cn1cncc1	PC-id_97405316	283.328	AEDMFMPBKOPHAX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-045766
Cn1nc(Cn2cccn2)c2c1CN(Cc1ccco1)C2	ZINC22_96259118,EMOLS-id_44369786,PC-id_97519207	283.328	HQZCBZYIZGUGPY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-045767
Cn1nc(Cn2cccn2)c2c1CN(Cc1ccoc1)C2	EMOLS-id_44369782,ZINC22_96259116,PC-id_97519205,CHEMBL3553212	283.328	WRCTYCKTJFGGPH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-045768
Cn1nc(Cn2ccnc2)c2c1CN(Cc1ccco1)C2	PC-id_97405320,ZINC22_96084494,EMOLS-id_46181995	283.328	NCZHDNBMAHYEMQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-045769
Nc1ccc(cc1)/C(=NNC(=O)c1[nH]nc2c1CCC2)/C	CoCoCo_696294,PC-id_5726169,CoCoCo_696296	283.328	APOKTMMMJGTVIS-MFOYZWKCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045770
O=C1c2ncnn2C(C1=Cc1ccnn1CC1CCC1)C	EMOLS-id_258063858,MCULE-9688049931	283.328	GDHXYCULVYOEQV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045771
O=C(C1(CC1)c1ccccn1)NC1CC(n2c1ncn2)C	EMOLS-id_319493209	283.328	MAUHFKUOLMVVPW-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-045772
O=C(c1ccnc(n1)C1CC1)NCc1cnc2n1CCC2	MCULE-6208348043,EMOLS-id_319966299	283.328	SYTYSQNLDJFLPJ-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-045773
O=C(c1ccnc(n1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320202881,MCULE-7384082461	283.328	AZIOFQVDCAIMEH-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-045774
O=C(c1cnc2n1CCC2)NC1CN(C1)c1ccccn1	EMOLS-id_319866207	283.328	APOLJGZVRAOKMN-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-045775
O=C(c1cncnc1C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319766945	283.328	ICWACZLXEKFPNS-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-045776
O=C(c1cncnc1C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319277009	283.328	RPRNLKZOKATSIW-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-045777
O=C(c1cnn2c1CCC2)N1CCCC1c1ncccn1	EMOLS-id_316671654	283.328	PZTVBSHOMFKIAK-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045778
O=C(c1cnn2c1CCC2)N1CCC(C1)c1ncccn1	EMOLS-id_319654426	283.328	HMKSYLULMHFCGA-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045779
O=C(c1cnn2c1CCC2)N1CCC(C1)c1nccnc1	EMOLS-id_319108648	283.328	LCAXIAGODWFGKD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045780
O=C(c1cnn2c1CCC2)NC1CN(C1)c1ccccn1	EMOLS-id_318777963	283.328	USKDKTIPHIBYCX-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-045781
O=C(C1NCc2c1c[nH]n2)Nc1ccc(cc1)[C@@H]1C[C@H]1N	EMOLS-id_319567144	283.328	JAMGSLWIGWQJPF-QXQDIAAESA-N	00100010100000110001100010000000000000000000000000000000	25-01-045782
O=C(c1[nH]c2c(c1)n(cc2)C)NC1CC(n2c1ncc2)C	EMOLS-id_320073270,MCULE-6596723775	283.328	KHFGCMDVGJPGCZ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-045783
O=C(c1[nH]c2c(c1)n(cc2)C)Nc1n(C)nc2c1CCC2	EMOLS-id_319734617	283.328	CDBMSTSELNPDMZ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-045784
O=C(c1[nH]c2c(c1)n(cc2)C)NCc1cnc2n1CCC2	MCULE-2594301967,EMOLS-id_320311392	283.328	TZOZFZCPHVPKJH-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-045785
O=C(c1[nH]c2c(c1)n(cc2)C)NCc1nn2c(c1)CCC2	EMOLS-id_319797946	283.328	MNTAILVTJYOXRQ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-045786
O=C(c1[nH]c2c(c1)n(cc2)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319432078	283.328	ADXDYFHDDSAPIP-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-045787
O=C(c1nn2c(c1)CCC2)N1CCC(C1)c1ncccn1	EMOLS-id_319485123	283.328	KZSFZSHMKMBELM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045788
O=C(c1nn2c(c1)CCC2)NC1CN(C1)c1ccccn1	EMOLS-id_319082016	283.328	YNLXOZGTOYSXRA-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-045789
O=C(c1n[nH]c2c1CCC2)N1CCCC1c1ncccn1	EMOLS-id_278451288	283.328	LEJGFTJZVGZMAJ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045790
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1cnccn1	ZINC22_257274690	283.328	NMDDZUWFBVCSLJ-CYBMUJFWSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045791
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1cnccn1	ZINC22_257274691	283.328	NMDDZUWFBVCSLJ-ZDUSSCGKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045792
O=C(c1n[nH]c2c1CCC2)NC1CN(C1)c1ccccn1	EMOLS-id_319775727	283.328	DWEKKJMEEQOKJE-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-045793
O=C(N1Cc2c(C1)cnn2C)c1ccc(nc1)NC1CC1	MCULE-8428373483,EMOLS-id_318352750	283.328	WENOKRXAXWMIQD-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-045794
O=C(N1CCCC1c1ncccn1)c1cn2c(n1)CCC2	EMOLS-id_316671655	283.328	WBTZXMQQVKSEHP-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-045795
O=C(N1CCn2c1ccn2)c1ccc(nc1)NCC1CC1	EMOLS-id_318147780,MCULE-1045077648	283.328	ZTXWTOPEKTVBOQ-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-045796
O=C(N1CCn2c1ccn2)c1ccnc(c1)NC1CCC1	MCULE-9965329751,EMOLS-id_278805610	283.328	LGCQGJPDHGIIGE-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-045797
O=C(N1CCn2c1ncc2)c1ccc(nc1)N1CCCC1	EMOLS-id_319587877	283.328	DHGMHQQWOMTBMQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045798
O=C(N1CCn2c1ncc2)c1ccnc(c1)NC1CCC1	MCULE-9798434521,EMOLS-id_318724002	283.328	XIBAPJGLQXHMHP-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-045799
O=C(NNC(=C)c1ccc(N)cc1)c1n[nH]c2CCCc12	PC-id_2266374	283.328	OUFPVOFJBJOFRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045800
c1(cn(c(C)n1)C)c1nccn1Cc1nnc2CCCn12	MCULE-3384301109,ZINC22_1857729454,PC-id_154819604,EMOLS-id_324321393	283.332	BPMPCPWDVDRIKS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-045801
s1c2c(CCC2)cc1CNCc1n(ccn1)C(F)F	PC-id_61208175	283.34	MMPAFVVHBVLXEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045802
CC(C)(C)OC(=O)N1Cc2cn(CC(C)(C)F)nc2C1	PC-id_68268584,EMOLS-id_49843033,MCULE-8973174111,SCHEMBL12451984	283.342	DHZZCNSAZVPLJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045803
O=C(N1Cc2c(C1)cnn2CC(F)(C)C)OC(C)(C)C	SCHEMBL18493673	283.342	CRZFEGAKUMMIMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045804
c12CN(Cc1scc2C(=O)OC)C(=O)OC(C)(C)C	EMOLS-id_331066913,MCULE-3479470782	283.343	ZPYAPZWLNKVKJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045805
c12CN(Cc1sc(OC)c2C=O)C(=O)OC(C)(C)C	MCULE-2399895198,EMOLS-id_331066402	283.343	MKQRUAODJHAUGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045806
c1(C(=O)OCC)c(N)sc2CCC(C(=O)OCC)c12	MCULE-2535857726,SCHEMBL8191511,PC-id_383361,SPECS-id_AO-476/43380573,EMOLS-id_788960	283.343	KFVIJNDDNWYXSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045807
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)OCC	PC-id_2793065,MCULE-6426920186,ZINC22_4070758,BAS-07311432,EMOLS-id_1496367,CoCoCo_364280	283.343	KYVDAFWAFVUMFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045808
c1(NC(=O)OCC)sc2c(CCC2)c1C(=O)OCC	CHEMBL1381373,CoCoCo_169152,BAS-01110874,MCULE-6815932390,ZINC22_116405,EMOLS-id_1308865,PC-id_648579	283.343	LDCBDIVJEHCCPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045809
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003829,MCULE-6249437685	283.343	QXFTVBSIAYBJEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045810
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004089,MCULE-7534811258	283.343	RIZQRXNUNCCNDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045811
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1C#N	MCULE-4069675202,EMOLS-id_331003064	283.343	CYRFIDWPADRUHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045812
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1C#N	MCULE-4671651339,EMOLS-id_331003576	283.343	FNTOZKHLQUCDNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045813
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003320,MCULE-3710068802	283.343	SXXQOBSRMCVTRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045814
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003573,MCULE-4451013091	283.343	NORCLAGMAGNVIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045815
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004087,MCULE-1565814360	283.343	CRPPHEAUUAOIKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045816
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004343,MCULE-6871746467	283.343	AIFUAZVQDWWYAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045817
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1C#N	MCULE-7001064283,EMOLS-id_331003833	283.343	AZGWYBBLUNIFQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045818
CCC(C(C(=O)O)O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319536379	283.343	VCTXCNRMPNRCFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045819
CC(C)(C)OC(=O)c1c(NC(=O)O)sc2CCCc12	EMOLS-id_331255596	283.343	JLFDSVZBINVSJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045820
CC(C)(C)OC(=O)NC1(CCc2ccsc12)C(=O)O	EMOLS-id_178506110,MCULE-5829234774	283.343	FMWGRSLYBYMWGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045821
CC(C)(C)OC(=O)NC1(CCc2sccc12)C(=O)O	EMOLS-id_178505167,MCULE-2241560519	283.343	PCNNEQVQTUYZCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045822
CC(C)(C)OC(=O)NC1CCc2sc(cc12)C(=O)O	EMOLS-id_337846786	283.343	OYUNJDJDDQHMMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045823
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)O	PC-id_103613897,EMOLS-id_262245344,MCULE-8483810046	283.343	XYKQTZNXDMLMKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045824
CCCOCC(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107937725	283.343	NDZWKLJYPMJMEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045825
CC(OCC(=O)Nc1sc2c(c1C(=O)O)CCC2)C	PC-id_112602006	283.343	SFMVVZDBUIPPLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045826
CCOC(=O)C1Cc2c(C1)c(c(s2)N)C(=O)OCC	PC-id_59379306,SCHEMBL8200581	283.343	BPHHUBQGQUARTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045827
CCOC(=O)c1c(NC(=O)C(C)O)sc2CCCc12	MCULE-8142713755,EMOLS-id_328049855	283.343	YSCJVODPKMIDPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045828
CCOC(=O)c1c(N)sc2c1[C@H](C(=O)OCC)CC2	CoCoCo_5738813,NSC671475,PC-id_6931096,ZINC22_4333680	283.343	KFVIJNDDNWYXSZ-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045829
CCOC(=O)c1c(N)sc2c1[C@@H](C(=O)OCC)CC2	CoCoCo_5738814,ZINC22_154567,PC-id_7194687	283.343	KFVIJNDDNWYXSZ-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045830
CCOC(=O)C1Sc2n(C1)ccc2C(=O)OC(C)C	PC-id_139944700	283.343	YKWDTNJINIRPCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045831
CC(=O)Nc1sc2c(c1C(=O)O)C(OC2(C)C)(C)C	SCHEMBL16817666,PC-id_118158782	283.343	TWJNCCATMUNYSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045832
COCCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_62478387,MCULE-2350335240,EMOLS-id_51585710	283.343	CBUCBYBMGQVHSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045833
COC(CC(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_113781484	283.343	IMDPZEGQYKVIRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045834
COCC(C(=O)O)(NC(=O)c1sc2c(c1)CCC2)C	MCULE-1396819913,EMOLS-id_53677069,PC-id_120211846	283.343	BKDLFMWZVQYHCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045835
COCCN(C(=O)c1sc2c(c1)CCC2)CC(=O)O	MCULE-1101776466,PC-id_61534730,EMOLS-id_51355379	283.343	XEDMEVRYACBEQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045836
COCCOCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16356258,PC-id_117787870	283.343	KIALWWUHIOXRMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045837
COC(C(=O)Nc1sc2c(c1C(=O)O)CCC2)(C)C	PC-id_103018185	283.343	MHYUXMDQQXQVRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045838
COC(C(=O)Nc1sc2c(c1C(=O)OC)CCC2)C	PC-id_112689203	283.343	GDYHVFPGFCKVGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045839
COC(=O)c1c(C)n2c(c1C(=O)OC)C(SC2)(C)C	PC-id_102154782	283.343	XRTVJQUPEVNPLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045840
COC(=O)CC1CSc2n1ccc2C(=O)OC(C)C	PC-id_139819426	283.343	RKKVVYPXEZECCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045841
COC(=O)C(NC(=O)c1sc2c(c1)CCC2)(CO)C	EMOLS-id_278900720	283.343	MWELQFSXTTVLIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045842
OC(=O)CC1CSc2n1cc(c2C(=O)OC(C)C)C	PC-id_19903387,SCHEMBL9038747	283.343	JZXDQNOIVDPSKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045843
s1c2CCCc2cc1C(=O)NCC(O)(CC(=O)O)C	PC-id_66002715	283.343	RNVAVFBUOIYBHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045844
s1c2CCCc2cc1C(=O)OCC(=O)NCCOC	PC-id_7291856	283.343	PZJSFCZVLQPBBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045845
s1c2c(CCC2)c(c1NCCC(=O)O)C(=O)OCC	PC-id_82310366	283.343	HNRQWJWAXPALQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045846
s1c2c(CCC2)c(c1NC(=O)CCCOC)C(=O)O	PC-id_80363161	283.343	SCKHWJOENGCGAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045847
s1c2c(CCC2)c(c1NC(=O)CCCO)C(=O)OC	PC-id_79192160	283.343	HCOMCKBRCCYTOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045848
s1c2c(CCC2)c(c1NC(=O)CCOCC)C(=O)O	PC-id_55023509	283.343	LXIGYRVFJNJTIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045849
s1c2c(CCC2)c(c1NC(=O)COCC)C(=O)OC	PC-id_63172224	283.343	BPRCDPLWTXPJMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045850
s1c2c(CCC2)c(c1NC(=O)OCC(C)C)C(=O)O	PC-id_43145457	283.343	CIAZPGJKOQYWAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045851
s1c2CCC(c2nc1CC(=O)OC(C)(C)C)C(=O)O	PC-id_58125136	283.343	QLRXCLXWZPELDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045852
S1[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)CC	PC-id_11277556	283.343	ZHRVMQGLOFXKHS-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045853
S1C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)CC	PC-id_72780750	283.343	ZHRVMQGLOFXKHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045854
N#Cc1ccccc1COC(=O)c1cc2c(s1)CCC2	MCULE-8964819832,PC-id_4546795,CoCoCo_2840797,EMOLS-id_43696728,ZINC22_6884558	283.345	CCJBFVLQRZXTCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045855
s1c2CCCc2cc1C(=O)OCc1ccc(cc1)C#N	PC-id_4555657	283.345	UTDVICNHBGYQMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045856
s1c2CCCc2cc1C(=O)OCc1cc(ccc1)C#N	PC-id_7238779	283.345	CZXVIDAYSZYDAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045857
c12CN(Cc1sc(N)c2C(=O)N)C(=O)OC(C)(C)C	EMOLS-id_331066659,MCULE-1914556707	283.347	PKAPOLLJFBAKIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045858
c1(c2CCCc2[nH]n1)C(=O)N(C)C1CCS(=O)(=O)C1	MCULE-4074574789,PC-id_78879598,EMOLS-id_179744610	283.347	CGHSWKWDFHJBLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045859
c1(cn2c(CCC2)n1)C(=O)N(C)C1CCS(=O)(=O)C1	EMOLS-id_321297365,MCULE-9893098787	283.347	GDJSKNPLGXUSMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045860
c1(C(=O)NC2CCS(=O)(=O)C2)c2CCCc2n(C)n1	EMOLS-id_179745130,MCULE-2722299663,PC-id_110389022	283.347	VNWYYOXYZIOOCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045861
c1(NC(=O)NCC(C)O)sc2c(CCC2)c1C(=O)N	EMOLS-id_4741907,STOCK6S-11544,MCULE-9051529444,PC-id_17583877	283.347	MBAURFKEKRLXMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045862
c1(NC(=O)NCCCO)sc2c(CCC2)c1C(=O)N	ZINC22_6759219,PC-id_8071289,MCULE-7807702471,EMOLS-id_4747235,STOCK6S-15070,CoCoCo_1109592	283.347	CQSFGMCTDWAXNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045863
c1(NC(=O)NCCOC)sc2c(CCC2)c1C(=O)N	MCULE-9180204208,CoCoCo_1110312,PC-id_27262363,EMOLS-id_15304034,ZINC22_16652559	283.347	DQTHKGPHDXIARK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045864
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N(C)CCO	MCULE-6841886201,CHEMBL4543390,ZINC22_6757708,EMOLS-id_4744777,STOCK6S-13466,PC-id_8070447	283.347	FJJWANOVAOCDGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045865
CC1CC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481314	283.347	JYOFISOKOWNTQQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045866
CC1CN(CC(S1=O)C)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99602199	283.347	IPLGFEHYROHWBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045867
CC1(C(=O)NS(=O)(=O)c2cnc3n2CCC3)CCC1	ZINC22_408017141,EMOLS-id_110466271	283.347	LEYIXNAFUXPRQG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045868
CCC1(CC1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375566	283.347	KRNJCQLXEDVUTD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045869
CCC1(CC1)S(=O)(=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_112081841	283.347	PMJWPLNPWNBINV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045870
CCC1(S(=O)(=O)NC(=O)c2cc3n(n2)CCC3)CC1	PC-id_136546735,MCULE-6258424921,ZINC22_408497565,EMOLS-id_112081829	283.347	ROTHTTGIIKCAEN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045871
CCC[C@@H](C(=O)O)NC(=O)Nc1sc2c(n1)CCC2	PC-id_107566533	283.347	GKXQBHSMYRYHKW-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045872
CCC[C@H](C(=O)O)NC(=O)Nc1sc2c(n1)CCC2	PC-id_107566534	283.347	GKXQBHSMYRYHKW-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045873
CC(C(C(=O)N)Nc1sc2c(n1)C(CC2)C(=O)O)C	PC-id_106347399	283.347	GJOOIZJYSYOHJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045874
CC[C@@H]1C[C@H]1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112079660	283.347	RTTWSUCKCVRHQF-RKDXNWHRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045875
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101313687	283.347	XSSDHJOXSHGQMO-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045876
CCCNC(=O)CNc1nc2c(s1)CCC2C(=O)O	PC-id_113395707	283.347	CWAQBHXIJBUKNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045877
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99611021,MCULE-5703583432,ZINC22_329603708	283.347	YPJOUZFOFDLJML-OIBJUYFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045878
C[C@H](O)CNC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_6754793,PC-id_8069432,CoCoCo_1105482	283.347	MBAURFKEKRLXMD-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-045879
C[C@@H](O)CNC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_6754795,PC-id_8069433,CoCoCo_1105481	283.347	MBAURFKEKRLXMD-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-045880
CCNC(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104430284	283.347	NJGMAZOPEYVGQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045881
CC(NC(=O)CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_113395709	283.347	VLCRSSAVEPZVCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045882
CCNC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_113395760	283.347	LYGYXAOZFGAMIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045883
CCN(C(=O)CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_114134314	283.347	UKYUHMMGLCTLKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045884
CCOC(=O)C1CCc2c1nc(s2)NCCC(=O)N	PC-id_113395703	283.347	WMDSMRLOPAKENT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045885
O=C(NCCCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_86065767	310.39	WOUIOZQRICLIRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068752
CCOC(=O)C1CCc2c1nc(s2)NCC(=O)NC	PC-id_104287860	283.347	HJPGWUWMIWVNHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045886
CCOC(=O)C1CCc2c1nc(s2)NC(C(=O)N)C	PC-id_104287934	283.347	MXMQRSKFZFOJKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045887
CCOC(=O)N(C)CC(=O)Nc1nc2c(s1)CCC2	PC-id_47029651,ZINC22_41690725,EMOLS-id_31923484,MCULE-2620787401	283.347	SJARILXMGHOPOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045888
Cn1nc2c(c1NC(=O)[C@@H]1CCS(=O)(=O)C1)CCC2	ZINC22_48324864,PC-id_94180425	283.347	LZAVELJNZIKJEG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045889
Cn1nc2c(c1NC(=O)[C@H]1CCS(=O)(=O)C1)CCC2	ZINC22_48324865,PC-id_94180426	283.347	LZAVELJNZIKJEG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045890
CN(C(=O)c1n[nH]c2c1CCC2)[C@H]1CCS(=O)(=O)C1	GD-id_ZINC49679056	283.347	CGHSWKWDFHJBLE-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045891
COCC(=O)NC(C(=O)Nc1sc2c(n1)CCC2)C	MCULE-1444287028,PC-id_42958213,EMOLS-id_27416794	283.347	QWNROEPNHGLDQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045892
COCC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)CCC2	PC-id_40062598,ZINC22_32826949,CoCoCo_4844852	283.347	QWNROEPNHGLDQH-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045893
COCC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)CCC2	ZINC22_32826951,PC-id_40062600,CoCoCo_4844851	283.347	QWNROEPNHGLDQH-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045894
NC(=O)CCCCNc1sc2c(n1)C(CC2)C(=O)O	PC-id_114162848	283.347	GFKNVFTXNLEPEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045895
NC(=O)CC(Nc1sc2c(n1)C(CC2)C(=O)O)(C)C	PC-id_106098656	283.347	AYMBSCUOFMSZQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045896
O=C1CCN(CC1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100851330	283.347	GRBYAEHEDIMSLC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045897
O=C(c1cc2n(n1)CCC2)NS(=O)(=O)CC1CCC1	EMOLS-id_112078685	283.347	QUQQYOHSOKDNDB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045898
O=C(C1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057272	283.347	CYHSZRDMWUSVKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045899
O=C(C1CCCS1(=O)=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319682831	283.347	BEUGMMCYVOAEPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045900
O=C(c1c(C)nc2n1CCS2(=O)=O)N1CCCCC1	PC-id_45028235,NSC741794	283.347	FUUIWXFRVCNAFR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045901
O=C(C1CCS(=O)(=O)C1)Nc1n(C)nc2c1CCC2	MCULE-4228802051,PC-id_47074158,EMOLS-id_32092630	283.347	LZAVELJNZIKJEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045902
O=C(c1cnn2c1CCC2)NS(=O)(=O)CC1CCC1	EMOLS-id_112078724	283.347	MWQSBIBDTHKXOV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-045903
O=C(C1COCCO1)NCCc1cn2c(n1)SCC2	EMOLS-id_99834493	283.347	CLKOUQBYONIMTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045904
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)S(=O)(=O)C	EMOLS-id_110250961	283.347	WFGWMFZWYWLIAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045905
O=C(c1n[nH]c2c1CCC2)N1CCS(=O)(=O)C(C1)C	EMOLS-id_111079044	283.347	HDIQCKYLKSCTSY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045906
O=C(c1n[nH]c2c1CCC2)N1CCS(=O)(=O)[C@H](C1)C	EMOLS-id_316428169,MCULE-4598659438	283.347	HDIQCKYLKSCTSY-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045907
O=C(c1n[nH]c2c1CCC2)NC1(C)CCS(=O)(=O)C1	EMOLS-id_110447078	283.347	OMUJUQGTFOZCOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045908
O=C(c1n[nH]c2c1CCC2)NC1CCCS(=O)(=O)C1	EMOLS-id_99226273	283.347	MQBKQVZSDFCSCY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-045909
O=C(c1n[nH]c2c1CCC2)NCC1CCCS1(=O)=O	EMOLS-id_100452147	283.347	PACZVJGBZJRVKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045910
O=C(C(C1CC1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110450723	283.347	VKGZPRXTDRXNOG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045911
O=C([C@H]1CC1(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389694	283.347	SUCBXSOFOCXBAA-MRVPVSSYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045912
OC[C@H]1C=C[C@H](C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100213525	283.347	TUZZQHQZJWVIDB-VHSXEESVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-045913
O=C(Nc1sc2c(n1)CCC2)NCC(C(=O)O)(C)C	PC-id_113308185	283.347	ZVJSPKLYEZADMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045914
O=C(NC(C(C(=O)O)C)C)Nc1sc2c(n1)CCC2	PC-id_104476160	283.347	RKDZXZYDDIGCMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045915
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1(C)CC1	EMOLS-id_110435730	283.347	LQVBLAMVGPTMOD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-045916
OC(=O)C1CCc2c1nc(s2)NCCC(=O)N(C)C	PC-id_104288242	283.347	CANSCOQBTXPRER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045917
OC(=O)C1CCc2c1nc(s2)NCC(C(=O)N)(C)C	PC-id_106280429	283.347	XJRMAFNHNMPHPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045918
OC(=O)C1CCc2c1nc(s2)NC(C(=O)N(C)C)C	PC-id_113395761	283.347	GOOCTHNSTYDNFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045919
O=S(=O)(c1cnc2n1CCC2)NCC1=CCCOC1	EMOLS-id_98840826	283.347	YKHXRGPBVRHVSW-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-045920
s1c2CCCc2nc1NC(=O)N(CCC)CC(=O)O	PC-id_61509798	283.347	BXVBPNNRPCXDDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045921
s1c2CCCc2nc1NC(=O)NC(C(C)C)C(=O)O	PC-id_61509957	283.347	PJLIQBQNSOPKMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045922
s1c2CCCc2nc1NC(=O)NC(CCC)C(=O)O	PC-id_61510259	283.347	GKXQBHSMYRYHKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045923
s1c2CCCc2nc1NC(=O)N(C(C)C)CC(=O)O	PC-id_61510299	283.347	BGNXMWSVKHDTFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045924
s1c2CCCc2nc1NC(=O)NCCCCC(=O)O	PC-id_64060569	283.347	JNKXTMXPKZPCOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045925
s1c2CCCc2nc1NC(=O)NCC(CC)C(=O)O	PC-id_65221446	283.347	JBZQPHHHDGBJOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045926
s1c2CCCc2nc1NC(=O)NC(CC)(C)C(=O)O	PC-id_79801356	283.347	JKBOYNBOPQCJJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045927
s1c2CCCc2nc1NC(=O)NCCC(C)C(=O)O	PC-id_80541760	283.347	KCPVCJRPCGJIRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045928
s1c2CCCc2nc1NC(=O)NC(CC)CC(=O)O	PC-id_81970503	283.347	UDLBROYGBKIINT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045929
Brc1ccc(cc1)N=c1snc2n1CCS2	SCHEMBL10932687	314.225	YQHNZNGSCMKQRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072018
s1c2CCCc2nc1NC(=O)N(CC(C)C(=O)O)C	PC-id_55007719	283.347	WXBPAMBLHLJZNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045930
s1c2CCCc2nc1NC(=O)N(CCCC(=O)O)C	PC-id_61510411	283.347	OVTZVWFJJHIZLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045931
s1c2CCCc2nc1NC(=O)N(C(CC)C(=O)O)C	PC-id_61811631	283.347	WRTIURCOLSJBQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045932
s1c2CCCc2nc1NC(=O)N(C(C)(C)C(=O)O)C	PC-id_62820623	283.347	JWLBSMYQVZSBOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045933
s1c2CCCc2nc1NC(=O)NC(CCC(=O)O)C	PC-id_64095766	283.347	XWTNSCYRGUQTSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045934
s1c2CCCc2nc1NC(=O)NCC(CC(=O)O)C	PC-id_81069200	283.347	XZMVIOLTQQGKGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045935
s1c2CCCc2nc1NC(=O)N(CCC(=O)O)CC	PC-id_61509799	283.347	UTFSIFZIXOYMPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045936
s1c2CCCc2nc1NC(=O)NC(CC(=O)O)(C)C	PC-id_64700489	283.347	PMJVVFCMRHCDMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045937
s1c2CCCc2nc1NC(=O)N[C@@H](C(C)C)C(=O)O	PC-id_61509876	283.347	PJLIQBQNSOPKMD-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-045938
s1c2CCCc2nc1NC(=O)N[C@H](C(C)C)C(=O)O	PC-id_79010466	283.347	PJLIQBQNSOPKMD-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045939
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)C#N)N	PC-id_135200341,SCHEMBL20353922	283.348	RSDXGTKMTQDVDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045940
c1(ccccc1N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328011931,MCULE-6886755132,PC-id_43402940	283.348	UVLOTRSBIOHEPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045941
c1(ccc[nH]1)C=CC(=O)Nc1sc2CCCc2c1C#N	MCULE-1116030943	283.348	VDYRCFGCGQJESA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-045942
c1(cncc(C)c1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327977164,MCULE-9587711554	283.348	QXMWELQWAVFMRO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-045943
c1(NC(=O)Nc2ccccc2)sc2c(CCC2)c1C#N	PC-id_35766340,CoCoCo_6642334,EMOLS-id_17391463,MCULE-4149952398,ZINC22_28579362	283.348	NJBNSHYYLVPZKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045944
Cc1cccc(n1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328184738,MCULE-5260072957	283.348	YDVLJAZRPNZFPX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-045945
C(=O)(Nc1sc2CCCc2c1C#N)c1ccc(cc1)N	MCULE-6184397633,PC-id_61116925,EMOLS-id_327877031	283.348	QVBRAWUIRBZOBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045946
C(=O)(Nc1sc2CCCc2c1C#N)c1cccc(N)c1	MCULE-1578081304,EMOLS-id_327746736,PC-id_61116923	283.348	XFQHKPCSWHWNNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045947
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)CC	MCULE-1250786977	283.348	ORNBTNWKHJHPFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-045948
n12nc(nc1sc(=CC(=Cc1ccccc1)C)c2=O)C	MCULE-3697083371	283.348	SKBPZCNAJKBRQS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-045949
N#Cc1cncc(c1)CNC(=O)c1sc2c(c1)CCC2	MCULE-2963754937,EMOLS-id_320103109	283.348	MXEVAAXTHBAPJN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-045950
N#CCc1ccccc1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318613168	283.348	MOLSGSYZYQRWNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045951
O=C(Nc1sc2CCCc2c1C#N)/C=C/c1ccc[nH]1	EMOLS-id_328204413	283.348	VDYRCFGCGQJESA-VOTSOKGWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-045952
s1c2CCCc2cc1C(=O)Nc1c(cc(N)cc1)C#N	PC-id_43548932	283.348	OEMIOYWWKMNRDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045953
s1c2CCCc2cc1C(=O)Nc1c(N)cc(cc1)C#N	PC-id_78965465	283.348	HVCRAADHZPCLSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045954
s1c2CCCc2nc1NC(=O)Cc1ccc(cc1)C#N	PC-id_62402599	283.348	QWLWJWRAGAPSTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045955
s1c2CCCc2nc1NC(=O)C(c1ccccc1)C#N	PC-id_62876670	283.348	SSRIONMWVAFNQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045956
N#CC(CN(S(=O)(=O)N1Cc2c(C1)cnn2C)C)C	MCULE-8788241813,EMOLS-id_320071379	283.35	NTNUMJUSONZKJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045957
c12SCCn1cc(Cn1ccnc1c1ccncc1)n2	MCULE-5588086462,ZINC22_71551658,EMOLS-id_43075735,PC-id_56863939	283.352	ATESHQCTJPCUSI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-045958
CC(c1ccc(cc1)CC1CCc2c1cc([nH]2)C(=O)O)C	SCHEMBL1006240,PC-id_44125121	283.365	IPPSRUUHCQYZCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045959
CC(C)c1cccc(N(C)C(=O)c2occ3c2CCC3)c1	ZINC22_508458224	283.365	YOKUKEKFNXAVFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045960
CCOC(=O)c1cc2c([nH]1)C(CC2)CCc1ccccc1	PC-id_59180187,SCHEMBL1003729	283.365	QIQLDKOTHYDZMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045961
COc1ccc(cc1)CCC(=O)n1cc(c2c1CCC2)C	PC-id_143156442	283.365	UXILACKCNDCLGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045962
COc1ccccc1CCC(=O)n1cc(c2c1CCC2)C	PC-id_143156444	283.365	QWMIIFNTTLMUOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045963
COc1cccc(c1)CCC(=O)n1cc(c2c1CCC2)C	PC-id_143156445	283.365	MGGASWFADJJQHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045964
COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(c(c1)C)C	PC-id_59180059,SCHEMBL1004248	283.365	DOIXGNHVVMGJLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045965
COC(=O)c1cc2c([nH]1)CCC2Cc1cc(C)cc(c1)C	SCHEMBL1002831,PC-id_59180193	283.365	JFEGHQULJUMPIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045966
COC(=O)c1cc2c([nH]1)CCC2CCCc1ccccc1	PC-id_66873002,SCHEMBL1002763	283.365	LGCGYHHLZXJCEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045967
o1c2c(CCC2)c(c1N)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_83447139	283.365	PGHMFMRSZKEUGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045968
OC(=O)c1cc2c([nH]1)CCC2CC(c1ccccc1)(C)C	PC-id_59180136,SCHEMBL1056787	283.365	SDXVMWQWPYJULW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045969
OC(=O)C(C1CCn2c1c(C)c(c2C)C)c1ccccc1	PC-id_140368720	283.365	LITXQNSLNFQSQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-045970
s1c2c(CCC2)cc1C(=O)N1C(CSC1)C(=O)O	PC-id_24702106	283.367	YSFDFSLWEFTIJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045971
s1c2c(CCC2)cc1C(=O)N1[C@@H](CSC1)C(=O)O	PC-id_28198484	283.367	YSFDFSLWEFTIJJ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-045972
s1c2c(CCC2)c(c1NC(=O)C[NH+](C)C)C(=O)OC	PC-id_25753011	283.367	IALVRUKNMABTLW-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-045973
c1(c2CCCc2[nH]n1)C(=O)N(C(C)C)Cc1ccccc1	EMOLS-id_179744670,MCULE-5723698147,PC-id_110388867	283.368	DEDQOFDUBMUPLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045974
c1ccc(cc1)C1CCC(O1)CNC1CCn2c1ncc2	EMOLS-id_318184321,MCULE-2374126190	283.368	ITJIAICJAWUPRF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045975
c1ccc(cc1)C(C1CCCO1)NC1CCn2c1ncc2	EMOLS-id_318085625,MCULE-8311907281	283.368	TUWWDNDVKFVVHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045976
C1C[C@H]([C@@H](O1)c1ccccc1)CNC1CCn2c1ncc2	MCULE-1779251877,EMOLS-id_320312867	283.368	SUGMPOILVBVWCN-AQOJYXMDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-045977
C1C[C@H]([C@@H](O1)c1ccccc1)NCc1cnc2n1CCC2	MCULE-4914050383,EMOLS-id_318769708	283.368	QWKJABADULZCNC-WBVHZDCISA-N	00000010100000110001100010000000000000000000000000000000	25-01-045978
c1(cn2c(CCC2)n1)C(=O)Nc1c(C)cccc1C(C)C	MCULE-7336705734,EMOLS-id_321297113	283.368	VAUCLZHQKYUHLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045979
c1(cn2c(CCC2)n1)C(=O)Nc1c(CC)cccc1CC	MCULE-6900866179,EMOLS-id_321296857	283.368	HSJNFCGLMJYVNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045980
c1(cn2c(CCC2)n1)C(=O)N(C(C)C)Cc1ccccc1	MCULE-8668226251,EMOLS-id_321296855	283.368	GDIAHSXTOJPBFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045981
c1(CNC(=O)c2cc(C)cc(C)c2)c2CCCc2nn1C	ZINC22_225818340,EMOLS-id_53884669,MCULE-2796381873,PC-id_91819400	283.368	MKZNAARSDUZISF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045982
c1(C(=O)Nc2ccccc2C(C)C)c2CCCc2n(C)n1	MCULE-2609587557,PC-id_110389079,EMOLS-id_179745301	283.368	GKOGOCWMURSGTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045983
c1(C(=O)Nc2ccc(cc2)C(C)C)c2CCCc2n(C)n1	MCULE-7919544635,EMOLS-id_179745304,PC-id_110389080	283.368	QXRAELSBXPSKQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045984
c1(C(=O)Nc2ccccc2C(C)(C)C)c2CCCc2[nH]n1	EMOLS-id_179744754,MCULE-9138777667,PC-id_110388896	283.368	PYAJQKKKEZZJJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045985
c1(C(=O)Nc2ccccc2C(C)CC)c2CCCc2[nH]n1	EMOLS-id_334964697,MCULE-1482691319	283.368	AURYQPSGPXBIBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045986
c1(C(=O)Nc2ccc(cc2)CCCC)c2CCCc2[nH]n1	MCULE-2356502217,EMOLS-id_334990794	283.368	VDQQETIZZNHWET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045987
c1(C(=O)Nc2ccc(cc2)C(C)(C)C)c2CCCc2[nH]n1	PC-id_110388897,MCULE-4427530658,EMOLS-id_179744757	283.368	CREWJACRNMCZQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045988
c1(C(=O)Nc2ccccc2C(C)(C)C)cn2c(CCC2)n1	EMOLS-id_321297369,MCULE-4199325283	283.368	YOCXOHBXZXDILS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045989
c1(C(=O)Nc2ccc(cc2)C(C)(C)C)cn2c(CCC2)n1	MCULE-4944853465,EMOLS-id_321297625	283.368	NPZMMHGYHIUPQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045990
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)CC)n1	EMOLS-id_331035652,MCULE-7130344950	283.368	GVWUJGWWHKFYGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045991
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2CC)n1	EMOLS-id_331035916,MCULE-8052742311	283.368	FBPSAHDIFNIHMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045992
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2C)C)n1	EMOLS-id_331036932,MCULE-4017729865	283.368	BHUWWJXCNJPAES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045993
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)ccc2C)n1	EMOLS-id_331035148,MCULE-3544827327	283.368	LCBZVIKTPAGBOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045994
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(C)c2)C)n1	EMOLS-id_331035396,MCULE-9320516502	283.368	ABLKXWZVGUTYCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045995
c1(C(=O)OCC)sc2CSCc2c1I	EMOLS-id_330874691,MCULE-8020374086	340.201	KRTKCFJMOUAWSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091672
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(C)c2C)n1	MCULE-3439413396,EMOLS-id_331035660	283.368	ZMODJQSIMXWBLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045996
c1(C(=O)N)c2C(C)CCc2n(Cc2c(C)cccc2C)n1	MCULE-4175834628,EMOLS-id_331035404	283.368	KHPHVUVLUAXZHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045997
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)cc(C)c2)n1	EMOLS-id_331034893,MCULE-9410502056	283.368	LHZOHNRENLMCDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045998
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(CC)c2)n1	EMOLS-id_331035149,MCULE-2491452965	283.368	UFAXNMGOQWWOFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-045999
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1CC	EMOLS-id_331022005,MCULE-7780733241	283.368	AAEMVGFTMIISGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046000
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)CC	MCULE-4823957453,EMOLS-id_331017661	283.368	IERIDOYRNMQTSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046001
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1C)C	MCULE-6818225770,EMOLS-id_331014846	283.368	FYZMFFRGCPQLDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046002
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(C)c1)C	EMOLS-id_331017405,MCULE-2694608873	283.368	HCPXFBGZLFRJCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046003
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(C)c1C	EMOLS-id_331021749,MCULE-3350835030	283.368	AWCDSPCVOPBUGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046004
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)ccc1C	MCULE-7484788635,EMOLS-id_331021237	283.368	DLPUOUWUAFONTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046005
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)cc(C)c1	EMOLS-id_331020982,MCULE-7155621680	283.368	CBWMBXUETHBHEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046006
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(CC)c1	EMOLS-id_331021238,MCULE-6071478770	283.368	WTXCBSIJNWHTDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046007
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)C	EMOLS-id_331018935,MCULE-4766625429	283.368	IPKDCPIBWWVRRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046008
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccccc1C	EMOLS-id_331019451,MCULE-9249711277	283.368	VKDHRKLIBIJAKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046009
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(C)c1	EMOLS-id_331021753,MCULE-3378967411	283.368	GDNWWZKASAIBCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046010
c1(C(=O)Nc2ccc(c(C)c2)C(C)C)c2CCCc2[nH]n1	EMOLS-id_335007427,MCULE-3305361765	283.368	GCEPOZRXNNMGAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046011
c1(C(=O)N(CC)c2cccc(C)c2)c2CCCc2n(C)n1	MCULE-5064478664,EMOLS-id_179745514,PC-id_110389150	283.368	RHOWCGDIZOTECX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046012
c1(C(=O)NC(C)c2ccc(CC)cc2)c2CCCc2[nH]n1	EMOLS-id_334993622,MCULE-9893262988	283.368	AHNFWFYNJPLODX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046013
c1(C(=O)N(CC)Cc2ccccc2)c2CCCc2n(C)n1	PC-id_110389010,MCULE-3625233771,EMOLS-id_179745094	283.368	PMODXSJNJHKRAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046014
c1(C(=O)NCCCc2ccccc2)c2CCCc2n(C)n1	PC-id_110389047,EMOLS-id_179745205,MCULE-3522302173	283.368	HXYYJDWIJVKIHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046015
c1(C(=O)NCCCCc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_334981584,MCULE-6752523229	283.368	CDHBWRXSCUVTNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046016
c1(C(=O)NC(C)CCc2ccccc2)c2CCCc2[nH]n1	MCULE-9004238428,EMOLS-id_323255998	283.368	DXXSABRPJAZPGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046017
c1(NC(=O)Cc2ccc(cc2)CC)n(C)nc2CCCc12	ZINC22_38510654,EMOLS-id_43484309,PC-id_45536365,MCULE-3943691167	283.368	YUGBQABFKHMXNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046018
C1OCC(C1)c1ccc(cc1)NCc1cnc2n1CCC2	MCULE-6733451556,EMOLS-id_318389775	283.368	WPNDZWCEHMPULT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-046019
CC1CCc2c1c(N)nn2Cc1cccc(OC2CC2)c1	MCULE-6497703852,EMOLS-id_330963445	283.368	WWYVDPMDNHNENE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-046020
CC1CC(c2n1ccn2)Nc1ccc(cc1)C1COCC1	EMOLS-id_318369845,MCULE-2349849839	283.368	WELVKPCYWLXBTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-046021
CC1CC(c2n1ccn2)NC1COCC1c1ccccc1	MCULE-4395587535,EMOLS-id_318637005	283.368	IJLKQQZMZYPBJB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-046022
CC1CC(c2n1ccn2)N[C@@H]1CCO[C@H]1c1ccccc1	MCULE-1377414741,EMOLS-id_320240268	283.368	WPELPXODWFRHLR-UHDQLFAASA-N	00000010100000110001100010000000000000000000000000000000	25-01-046023
CC1CCc2nn(Cc3c(C)cccc3C)c(C(=O)N)c12	EMOLS-id_331021493,MCULE-8778111336	283.368	YZCRRKLKMNPWLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046024
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(N)c12	MCULE-2102614421,EMOLS-id_331012514	283.368	QCVRYFFQZAXGPB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-046025
Cc1ccccc1CCN(C)C(=O)c1cn2c(n1)CCC2	ZINC22_521628634,MCULE-2320050838,EMOLS-id_316909224	283.368	LISIMGNYNOSZPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046026
Cc1ccccc1[C@@H](C)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_335469373	283.368	AFNFTGZIOLRAPI-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046027
Cc1ccccc1[C@H](C)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_335469374	283.368	AFNFTGZIOLRAPI-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046028
Cc1cc(C)c(c(c1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319239680	283.368	HTGCXBJBXYGVDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046029
Cc1cc(C)c(c(c1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319651077	283.368	GJVLUNMZYLHUBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046030
Cc1ccc(C)c(CN(C)C(=O)c2cn3c(n2)CCC3)c1	MCULE-4174491862,ZINC22_335443052,EMOLS-id_316909989	283.368	XEVZXJVCSKFZQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046031
Cc1cnccc1CCCNC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319866914	283.368	MOYMBKKAPIGOFI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046032
CCc1ccc(cc1)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319652486	283.368	CAGFPFNOJHWLEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046033
CC(C(c1ccccc1)C)NC(=O)c1cnn2c1CCC2	EMOLS-id_318636204	283.368	GDMNNMCWKXVWLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046034
CCC(c1ccccc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318959638	283.368	UJTHVEAFNQZNNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046035
CCC(c1ccccc1)(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_316911954,MCULE-3047810677	283.368	HZHNYHDDNKWHAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046036
CC(C)(C)c1nn2C(C(=O)Nc2c1)CCc1ccccc1	PC-id_136703411	283.368	ZKYAFIRHPSXRJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046037
CC(C)(CC(=O)N[C@H]1CCn2ccnc12)c1ccccc1	ZINC22_1361462366	283.368	CFFUNORVQIMUBW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046038
CC(C)(CC(=O)N[C@@H]1CCn2ccnc12)c1ccccc1	ZINC22_1361462368	283.368	CFFUNORVQIMUBW-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046039
CC[C@](C)(NC(=O)c1cnn2c1CCC2)c1ccccc1	ZINC22_1433708033	283.368	HZHNYHDDNKWHAQ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046040
CC[C@@](C)(NC(=O)c1cnn2c1CCC2)c1ccccc1	ZINC22_1433708038	283.368	HZHNYHDDNKWHAQ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046041
CCN(C(=O)c1n[nH]c2c1CCC2)Cc1ccc(cc1)C	EMOLS-id_318650030	283.368	UYRKWCULGSLRER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046042
CN(C(c1ccccc1C)C)C(=O)c1cn2c(n1)CCC2	MCULE-6298552592,EMOLS-id_316904111	283.368	AFNFTGZIOLRAPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046043
CN(C(=O)c1n[nH]c2c1CCC2)C(c1ccccc1C)C	EMOLS-id_318727366	283.368	UTFZXISECULZQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046044
COc1ccc(cc1)C1(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318358583,MCULE-9375732185	283.368	HZOAMZCZDZRSJB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046045
COc1cccc(c1)C1(CC1)NC1CC(n2c1ncc2)C	MCULE-4063554172,EMOLS-id_318358584	283.368	JFMXUMVHHNQSGT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046046
COc1cccc(c1)C1(CC1)NCc1cnc2n1CCC2	EMOLS-id_318208239	283.368	UAKPGEMLYLVTDO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046047
COc1ccccc1C1(CCC1)NC1CCn2c1ncc2	EMOLS-id_318716940,MCULE-7800362843	283.368	ILSIFSKEZJHULC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-046048
COc1cccc(c1)[C@@H]1C[C@H](C1)NC1CCn2c1ncc2	MCULE-9043696734,EMOLS-id_318572881	283.368	BXZHFOVKCKNZEC-UJVORUTESA-N	00001010100000110001100010000000000000000000000000000000	25-01-046049
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCN	MCULE-3173238505,EMOLS-id_328214132	283.368	QLPARGRIWZIJRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046050
OC1CN(C(C1)c1ccccc1)Cc1cnc2n1CCC2	EMOLS-id_318370137	283.368	VJVMUUSAPADTOO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-046051
O=C1N(c2n(C1(Cc1ccc(C(C)C)cc1)C)ccn2)C	PC-id_74222068	283.368	YVYWIZPYLVGSNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046052
O=C(c1cccc(c1)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319871835	283.368	YCSBKUNXUFSBJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046053
O=C(c1ccc(cc1)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319040903	283.368	GFZXMJYKDHXLBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046054
O=C(C(c1ccccc1C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318599933	283.368	GWBCZDFYAZVWAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046055
O=C(C(c1ccc(cc1)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318695112	283.368	HYPSKIOWOMJJHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046056
O=C(C(c1cccc(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319266519	283.368	GIGMLRFUTNJBBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046057
O=C(Cc1ccc(c(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319587763	283.368	NCOWYRIRMXCTCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046058
O=C(C(c1ccccc1C)C)NCc1cnc2n1CCC2	EMOLS-id_320184638,MCULE-1461770650	283.368	GLLMCTURBKPGNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046059
O=C(C(c1ccccc1)(C)C)NCc1cnc2n1CCC2	MCULE-7181890700,EMOLS-id_320267379	283.368	ZEGXZJWHCDSJDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046060
O=C(Cc1ccc(c(c1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319728518	283.368	CJUIZTQYXNMJIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046061
O=C(C(c1ccccc1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319962150,MCULE-1593131380	283.368	SFKNJNPICVRCHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046062
O=C(Cc1c(C)cccc1C)NCc1cnc2n1CCC2	EMOLS-id_319826752	283.368	VTSMFQPRBWKFFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046063
O=C(Cc1cc(C)ccc1C)NCc1cnc2n1CCC2	EMOLS-id_320160823,MCULE-9374869842	283.368	MEJAZPJJFSBVTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046064
O=C(Cc1cc(C)ccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318786893	283.368	QKFLAXBHCZNADM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046065
O=C(Cc1c(C)cccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318972347	283.368	HSGQAGWOZKQFPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046066
O=C(Cc1cc(C)cc(c1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319921767,MCULE-4051991601	283.368	RRZKJPVOYIRDRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046067
O=C(CC(c1ccccc1)(C)C)NC1CCn2c1ncc2	PC-id_145878310,MCULE-1956245225,EMOLS-id_316900968	283.368	CFFUNORVQIMUBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046068
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(cc1C)C	CoCoCo_5273025,EMOLS-id_24910420,PC-id_30859135	283.368	ZSEYLLWRWGAXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046069
O=C(Nc1n(nc2c1CCC2)C)Cc1c(ccc(c1)C)C	PC-id_45536362	283.368	AGJPCALDVUENEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046070
O=C(Nc1n(nc2c1CCC2)C)Cc1cc(c(cc1)C)C	PC-id_45536363	283.368	HSEUSOFACKUEIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046071
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(C(C)C)cc1	PC-id_9965605	283.368	RYPKTIHSMOUSFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046072
O=C(NCc1cnc2n1CCC2)CCc1ccccc1C	EMOLS-id_319211171	283.368	XLPZQBHVUJYUGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046073
O=C(NCc1n[nH]c2c1CCC2)CCc1cccc(c1)C	EMOLS-id_318958067	283.368	RENNJKDNMNYGCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046074
O=C(NCc1n[nH]c2c1CCC2)CCc1ccccc1C	EMOLS-id_319985560,MCULE-7835522255	283.368	QRERENLQPZFNBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046075
CC1CC(c2n1ccn2)NS(=O)(=O)c1cccs1	EMOLS-id_101320562	283.37	GLMWLHJFGVIGLC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046076
CC1CC(c2n1ccn2)NS(=O)(=O)c1cscc1	EMOLS-id_101317297,MCULE-7293967996	283.37	DAJNQCIEPZJLPP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046077
Cc1cscc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970812	283.37	LZFAUJLOCDCJGY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046078
Cc1csc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-4240787412,EMOLS-id_316457236	283.37	BDHFGXFGTCCPGZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046079
Cc1sc(cc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318226502	283.37	VDLZKFAHNXUYSJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046080
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccsc2)c2nccn12	ZINC22_333035767	283.37	DAJNQCIEPZJLPP-PSASIEDQSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046081
C[C@@H]1C[C@H](NS(=O)(=O)c2ccsc2)c2nccn12	ZINC22_333035768	283.37	DAJNQCIEPZJLPP-SCZZXKLOSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046082
C[C@H]1C[C@@H](NS(=O)(=O)c2ccsc2)c2nccn12	ZINC22_333035769	283.37	DAJNQCIEPZJLPP-WCBMZHEXSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046083
C[C@H]1C[C@H](NS(=O)(=O)c2ccsc2)c2nccn12	ZINC22_333035770	283.37	DAJNQCIEPZJLPP-WPRPVWTQSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046084
CC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4503995,ZINC22_6262352	283.37	CMFQSHSBRXZUPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046085
Cn1nc2c(c1NS(=O)(=O)c1cccs1)CCC2	EMOLS-id_318542936	283.37	RSDMNVJSLUGKQZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046086
Cn1nc2c(c1NS(=O)(=O)c1cscc1)CCC2	EMOLS-id_318471652	283.37	LSOJGVMZRMKVOX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046087
O=S(=O)(c1cscc1)NCc1n[nH]c2c1CCC2	MCULE-4440841765,EMOLS-id_320034150	283.37	NNVUSFYRFUQGTN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046088
O=S(=O)(c1[nH]ncc1)NCc1sc2c(c1)CCC2	PC-id_113725670	283.37	RXAQGWMFPRZKNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046089
s1c2c(CCC2)cc1CNS(=O)(=O)c1c[nH]nc1	PC-id_61208973	283.37	ININHKPWSRRDHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046090
s1c2c(CCC2)cc1CNS(=O)(=O)c1[nH]cnc1	PC-id_64154789	283.37	QPRUYDKQPXHUTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046091
s1c2CCCc2nc1NC(=O)CN1CCSC1=O	PC-id_33040147	283.37	MXJXBHPPQZXSNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046092
s1c2CCCc2nc1NC(=O)CN1CSCC1=O	PC-id_33039481	283.37	GBMMONJGZOYWSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046093
c1cc(C2CCCC2)nc(NCc2n[nH]c3c2CCC3)n1	ZINC22_71774765,EMOLS-id_43212177,PC-id_56881046,MCULE-6165323226	283.371	SROKTPYKNFMBPR-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-046094
C1CCC(CC1)c1ncnc(c1)NC1CCn2c1ncc2	EMOLS-id_319633425	283.371	OBMMTOLUCMHQMW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-046095
c1ccc(nc1)N1CCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318387209,MCULE-8091677935	283.371	BPJPHYVSPFICKL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046096
C1CCN(C1)c1ccc(nc1)NCc1cnc2n1CCC2	EMOLS-id_317997887,MCULE-1321600389	283.371	HSJXWLOCNFQQSF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046097
C1CCN(C1)c1ncccc1CNC1CCn2c1ncc2	MCULE-7013160123,EMOLS-id_318397959	283.371	DUWHKGIUWNELNK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046098
C1CCN(CC1)c1ccc(cn1)NC1CCn2c1ncc2	MCULE-3750374193,EMOLS-id_318168768	283.371	BUIMLNKVZMZVFJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-046099
C1CCN(CC1)c1ccc(nc1)NC1CCn2c1ncc2	MCULE-7625069410,EMOLS-id_318013077	283.371	BTVVZJFKZPKXFP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-046100
C1CCN(C(C1)c1ncccn1)Cc1nn2c(c1)CCC2	EMOLS-id_319001644	283.371	XICJKFAINGDUFF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-046101
CC1CC(c2n1ccn2)NC1CCN(C1)c1ccccn1	EMOLS-id_318119824,MCULE-8237231534	283.371	BAPNEJQVVXMHBD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046102
CC1CC(c2n1ncn2)NCC1(CCC1)c1ccccn1	EMOLS-id_318375094,MCULE-8499988311	283.371	IIRBYEUVNHIFAN-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-046103
Cc1cc(nc(n1)C1CCC1)NC1CC(n2c1ncc2)C	MCULE-4507584944,EMOLS-id_318697035	283.371	FTEJCDVOFYNGFE-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-046104
c12C(C)(C)OC(C)(C)c1sc(N)c2C(=O)OC(C)C	PC-id_79918654,MCULE-8306505851,EMOLS-id_97370296	283.386	AXSUOLOVRLUAAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046105
CC(Cc1scc2c1CN(C2)C(=O)OC(C)(C)C)O	SCHEMBL9408083,PC-id_67844064	283.386	IZBSMCAZJOWIEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046106
CCCC(c1sc2c(n1)C(CC2)C(=O)OCC)OC	PC-id_113554576	283.386	PAALJDPHGHNHAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046107
CCCOC(=O)c1c(N)sc2c1C(C)(C)OC2(C)C	SCHEMBL2162117,PC-id_67300643	283.386	SWBJTUIFQPOMPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046108
CCOC(c1nc2c(s1)CCC2C(=O)O)(CC)CC	PC-id_113559465	283.386	ZKJLOADDFAKREL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046109
CCOC(C(C)(C)C)c1nc2c(s1)CCC2C(=O)O	PC-id_116705354	283.386	MDNRWVHEDMHSKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046110
CCOC(=O)C1CCc2c1nc(s2)C(C(C)C)OC	PC-id_113554577	283.386	WMWXNKPNEYCKIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046111
CCOC(=O)C1CCc2c1nc(s2)C(OCC)(C)C	PC-id_113554575	283.386	MSSIBSNVJUEWNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046112
CCOC(=O)C1CCc2c1nc(s2)C(OCC)CC	PC-id_116705337	283.386	TVNBLNZMOUIXEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046113
CCOC(=O)C1CCc2c1nc(s2)C(OC)(CC)C	PC-id_116744614	283.386	QETJGWCXJZRPCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046114
CCOC(=O)CC(CNCc1sc2c(c1)CCC2)O	PC-id_103242925	283.386	LIHVZFIZZLHEPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046115
CCOC(=O)COCCNCc1sc2c(c1)CCC2	PC-id_103242924	283.386	PEVJWDGPNKIUFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046116
COCCC(CNC(=O)c1sc2c(c1)CCC2)(O)C	PC-id_103712489	283.386	MQPFNDYSYXBYID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046117
OCC(CN(C(=O)c1sc2c(c1)CCC2)C)(CO)C	PC-id_109879609	283.386	HSSCNZGACZVUDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046118
O=C(N1Cc2c(C1)csc2C(O)(C)C)OC(C)(C)C	PC-id_18947031,SCHEMBL9180841	283.386	OJGFXSGWPMEFJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046119
s1c2CCCc2cc1C(=O)NCC(OCC)OCC	PC-id_78909761	283.386	XWACRHUTWFTHLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046120
c12CN(Cc1sc(N)c2CNC)C(=O)OC(C)(C)C	EMOLS-id_331066915,MCULE-4147398610	283.39	CFOZYQLGEQCCAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046121
c1(NC(=O)C(C)C)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_756259,EMOLS-id_5442563,ChEMBL-DNDi_CHEMBLF0561-0190,MCULE-2559536219	283.39	DBSRRFMTUGPCDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046122
c1(NC(=O)COCC)c2CSCc2nn1C(C)(C)C	EMOLS-id_30135707,PC-id_7200093,MCULE-3004864684,ChEMBL-DNDi_CHEMBLF1878-0003,Chemmine_43027,ZINC22_4341902	283.39	PAUIFHJGGWGHML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046123
CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)C(C)(C)C	PC-id_89728292,SCHEMBL15159368	283.39	GDBRSQLVEXMQPU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046124
CC1CC(c2n1ccn2)NS(=O)(=O)CC1CCCC1	EMOLS-id_101318491	283.39	GUSIEFBBTTXGOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046125
CC1CC(c2n1ccn2)NS(=O)(=O)CCC1CCC1	EMOLS-id_101317303	283.39	LIJCHADORPWUQJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046126
CC1(CCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100232278	283.39	UADVHIUMOPMJND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046127
CC1CCC(C1)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318955920	283.39	NYZRUUKQVDPUHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046128
CC1(C)CCCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100208842	283.39	AZFYAAGRDLTVGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046129
CC1(C)CCC(C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100209415	283.39	KFQFTOFCUVMJKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046130
CC1CCCC(C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102635597	283.39	UOYXLBIBPZHFCY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046131
CC1CC(C)CC(C1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319417918	283.39	KTRVWFWSTSXSAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046132
CC1CC(C)CC(C1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319492514	283.39	RTGPWWSKWRSGSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046133
CC1CC(C)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188459	283.39	RSVBGTXHHRQMIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046134
CC1CCCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100228138	283.39	VWHCVBJHYYDZLI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-046135
CC1(C)CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99831049	283.39	FMVMPLNXGKMEDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046136
CC1CCCN(C1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100220887	283.39	DKFYIWNUBMFYKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046137
CC1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100178375	283.39	VIXSMMZZATXHJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046138
CC1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188513	283.39	UYYSNZLLULOJDD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-046139
CC1CCN(CC1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100218934	283.39	NJRCBLZMFPNIEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046140
CC1CN(C(C1)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231129	283.39	IVZPYXJRSHTDRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046141
Cc1nn(C(=S)N)c2c1C[C@H](COCCC(C)C)O2	ZINC22_2267000,CoCoCo_1768163,PC-id_1893607	283.39	MDJGOZXCBNPJPR-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046142
Cc1nn(C(=S)N)c2c1C[C@@H](COCCC(C)C)O2	ZINC22_2267001,PC-id_1893608,CoCoCo_1768164	283.39	MDJGOZXCBNPJPR-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-046143
CC(C1(CC1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100211233	283.39	REKUWVLRUWHDOO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046144
CCC1(CCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100228636	283.39	TWXOJGASGLRGHK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046145
CC(C1(C)CC1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100223353	283.39	HFCUFUAOKSRKGN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046146
CC(C1CCC1)(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101316709	283.39	ZWXONBYCFSXXKJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046147
CC(C1(C)CC1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101963991	283.39	UPIRZKQRRKDQFE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046148
CCC1CCCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221187	283.39	UMGONYUIKQHTAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046149
CCC1(CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101325216	283.39	KMWZEDIWXGDZIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046150
CCC1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100192662	283.39	HNUMSGBGXCAQRF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046151
CCC1C(C)CCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238947	283.39	YTAGDUMYHMSMDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046152
CC(C1CCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100203267	283.39	OBVZBVRWZXPFAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046153
CCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201059	283.39	ABBNOBPTXZSLMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046154
CCC1(CC)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98012891	283.39	UAAURYCKNHJGPQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046155
CCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100192719	283.39	AJUQGTHJYNIHCC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046156
CC(c1nn2c(c1)CCC2)NCC1CCCS1(=O)=O	EMOLS-id_319898332,MCULE-8993602338	283.39	ZGAVUAHQLJYINB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046157
CCCCCOCC1Cc2c(C)nn(C(=S)N)c2O1	BAS-00333919,MCULE-4353273734,PC-id_3100736,STOCK6S-17478,EMOLS-id_1197158	283.39	ULDGARMFNWIGOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046158
CC(C)CCOCC1Cc2c(C)nn(C(=S)N)c2O1	PC-id_3100738,CK3118196,EMOLS-id_4390445,MCULE-6586247129,STOCK1S-42577	283.39	MDJGOZXCBNPJPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046159
CCCCCOC[C@@H]1Cc2c(C)nn(C(=S)N)c2O1	CoCoCo_43001,PC-id_1983308,ZINC22_2373185	283.39	ULDGARMFNWIGOX-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-046160
CCCCCOC[C@H]1Cc2c(C)nn(C(=S)N)c2O1	PC-id_1983305,CoCoCo_43000,ZINC22_2373183	283.39	ULDGARMFNWIGOX-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046161
CC(C[C@@H]1C[C@H]1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101780050	283.39	YCOISRAHSSBGOF-GHMZBOCLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046162
CC(C)[C@@H]1N(Cc2sc(N)nc12)C(=O)OC(C)(C)C	PC-id_117688888,EMOLS-id_56974249,MCULE-4086528507,SCHEMBL16224707	283.39	RSVHCGAPPPRUMU-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-046163
CC(CCN(CC(=O)Nc1sc2c(n1)CCC2)C)O	PC-id_111496714	283.39	NHJPCLSYECNFRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046164
CC(C)C(=O)Nc1c2c(nn1C(C)(C)C)C[S@@](=O)C2	CoCoCo_4985017,ZINC22_212273,PC-id_40514495	283.39	DBSRRFMTUGPCDR-IBGZPJMESA-N	00000010100000000001000010000000000000000000000000000000	25-01-046165
CC(C)C(=O)Nc1c2c(nn1C(C)(C)C)C[S@](=O)C2	ZINC22_6725005,PC-id_11859856,CoCoCo_4985018	283.39	DBSRRFMTUGPCDR-LJQANCHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046166
CC[C@H](CO)NC(=O)NCCc1nc2CCCc2s1	MCULE-5838433147,ZINC22_584892946,EMOLS-id_177425222	283.39	VCTOZZCLBMHMLY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046167
CCCN(CC(=O)Nc1sc2c(n1)CCC2)CCO	PC-id_111434305	283.39	ZYKSNHLELYQJHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046168
CC(CN(S(=O)(=O)c1cnc2n1CCC2)C1CC1)C	EMOLS-id_100186413	283.39	BOHYSBDXWJTPTP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046169
C[C@@H]1CCN([C@@H](C1)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102246042	283.39	ZGCIZVCTMZQPTN-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046170
C[C@@H](C1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101309698	283.39	SVWWVJVUPGDQAZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-046171
CCN(CCNc1nc2c(s1)CCC2C(=O)O)CC	PC-id_104287481	283.39	NLQVAQVQRVMTGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046172
CCN(S(=O)(=O)c1cnc2n1CCC2)C1CCCC1	EMOLS-id_98196193	283.39	YSCNRRINPWDFSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046173
CCOC(=O)C1CCc2c1nc(s2)NCCN(C)C	PC-id_113395653	283.39	ATGZNEGMFMDGRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046174
CC(Sc1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C)C	SCHEMBL17380301,PC-id_118614036	283.39	QASQJJSFVAGRIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046175
Cn1ncc2c1CN(C2)S(=O)(=O)CC1CCCCC1	EMOLS-id_318090588	283.39	VYYYVTRMKGXEHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046176
CN(C(C)C)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288594	283.39	INRLWECCADTLQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046177
CN(CCCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_113395737	283.39	FPNNLCGVKBTYSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046178
CN(CCC(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104288393	283.39	RSCWVLSDMFYIDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046179
CN(CCCN(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104288801	283.39	CAJWARREAZWEJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046180
CN(CC(O)(C)C)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111434371	283.39	ATIYLYUCYDAVDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046181
CN(S(=O)(=O)c1cnc2n1CCC2)C1CC(C1)(C)C	EMOLS-id_101971242	283.39	RWSDMKLFYNGUEC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046182
CN(S(=O)(=O)c1cnc2n1CCC2)C1CCCCC1	EMOLS-id_102501532	283.39	NBMAVAGNHWRHGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046183
COCC1=Nc2n(S1C(C1CCCCC1)O)cnc2	SCHEMBL20743689	283.39	YJWRAKQIOAKTDN-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-046184
CSCC[C@@H](C(=O)O)Nn1cc2c(n1)C(CC2)(C)C	SCHEMBL2192207,PC-id_67312040	283.39	GDLRCIYEJAMKCN-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-046185
OC(=O)C1CCc2c1nc(s2)NCC(N(C)C)(C)C	PC-id_104288504	283.39	YGFQCAZNFSEHJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046186
O=S(=O)(c1cnc2n1CCC2)NC1CCCCCC1	EMOLS-id_100204936	283.39	DVSAPFGPKHIZHW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-046187
O=S(=O)(c1cnc2n1CCC2)NCC1CCCCC1	EMOLS-id_100190574	283.39	NNAMLMWAICQRIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046188
[S@@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)CCC	PC-id_11883578	283.39	YOSXRHIOKABSEE-LJQANCHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046189
[S@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)CCC	PC-id_11883579	283.39	YOSXRHIOKABSEE-IBGZPJMESA-N	00000010100000000001000010000000000000000000000000000000	25-01-046190
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)CCC	PC-id_5095506	283.39	YOSXRHIOKABSEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046191
S(CCC(Nn1nc2C(CCc2c1)(C)C)C(=O)O)C	PC-id_77264794	283.39	GDLRCIYEJAMKCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046192
N#Cc1ccc(cc1C)CNCc1sc2c(n1)CCC2	EMOLS-id_318594062,MCULE-7580931214	283.391	BWKDXTSNYRSZHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046193
N#Cc1ccc(cc1)C(NCc1sc2c(n1)CCC2)C	EMOLS-id_318563471,MCULE-9863964596	283.391	HHALCPSFUXALOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046194
N#Cc1cccc(c1)C(NCc1sc2c(n1)CCC2)C	EMOLS-id_318639245,MCULE-8816343650	283.391	AJIWSZCDQSIXRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046195
s1c2CCCc2cc1CNc1c(c(nc(c1)C)C)C#N	PC-id_81052541	283.391	AJESCSGQDXQXRO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046196
s1c2CCCc2cc1CNc1nc(cc(c1C#N)C)C	PC-id_61208195	283.391	OTASGRWOMZAHHV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046197
CSC(C)(C)[C@H](N)C(=O)NCc1nnc2CCCn12	MCULE-7587664840,EMOLS-id_337683125,ZINC22_2100482319	283.393	QJWQUMWWVXGMOA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046198
CSCC[C@H](C(=O)NC(c1nnc2n1CCC2)C)N	PC-id_104907093	283.393	AZRPUKHBVVXXBF-YGPZHTELSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046199
CSCC[C@H](C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_104907825	283.393	AHJOJVZMKOBEAO-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046200
S(CC[C@H](N)C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_61154784	283.393	AZRPUKHBVVXXBF-GKAPJAKFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046201
S(CC[C@H](N)C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_61163219	283.393	AHJOJVZMKOBEAO-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-046202
S(CCC(N)C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_76893267	283.393	AZRPUKHBVVXXBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046203
S(CCC(N)C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_76894453	283.393	AHJOJVZMKOBEAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046204
OC(=O)N1Cc2c(C1)cn(n2)COCC[Si](C)(C)C	SCHEMBL9899299,PC-id_67957625	283.399	DPQVYFMXFPLYIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046205
c1(C(N)c2ccc(cc2)CC)c2CCCc2oc1CCC	MCULE-2629986008,PC-id_83610368	283.408	SOCPKOKOBSKCCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046206
c1(C(N)c2ccc(c(C)c2)C)c2CCCc2oc1CCC	MCULE-7425516328,PC-id_83610371	283.408	NARKOUJYCOKIHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046207
o1c2c(c(c1C(C)C)C(N)c1ccc(cc1)CC)CCC2	PC-id_83610296	283.408	WINSXDAEEXIFEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046208
o1c2c(c(c1C(C)C)C(N)c1c(cc(cc1)C)C)CCC2	PC-id_83610298	283.408	ILKBPGXYVHVNLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046209
o1c2c(c(c1C(C)C)C(N)c1cc(c(cc1)C)C)CCC2	PC-id_83610299	283.408	ZQNRCQLGUNXGJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046210
o1c2c(c(c1C(C)C)C(N)c1c(ccc(c1)C)C)CCC2	PC-id_83610300	283.408	KXBBNCDKHGSXEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046211
o1c2c(CCC2)c(C(N)c2c(cc(cc2)C)C)c1CCC	PC-id_83610370	283.408	GJDNTNRATPAMCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046212
o1c2c(CCC2)c(C(N)c2c(ccc(c2)C)C)c1CCC	PC-id_83610372	283.408	QUZWITIPBRKCFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046213
o1c2c(CCC2)c(C(N)c2ccc(C(C)C)cc2)c1CC	PC-id_83610219	283.408	DMLMQAWUJLEALN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046214
o1c(c(c2c1CCC2)C(N)c1ccc(cc1)C)C(C)(C)C	PC-id_83610510	283.408	GFUOGGVIJMOMHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046215
O=C(c1sc2c(c1)CCC2)NCC1(O)CCSC1	PC-id_111597167	283.41	BWOFWLHNSITWDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046216
OC(=O)C1CCc2c1nc(s2)CSC1CCCC1	PC-id_104287254	283.41	AAJAXQZBHZWDLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046217
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)CC(C)C	EMOLS-id_330961907,MCULE-6290727562	283.411	BVWRYZFEABKEQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046218
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)C(C)(C)C	MCULE-9041017722,EMOLS-id_330962163	283.411	UHTLNCFQTNYGCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046219
CC1CCc2c1c(CN)nn2Cc1cc(C)c(C)cc1C	MCULE-2471541274,EMOLS-id_331016179	283.411	CVEUWTMCHXGNKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046220
CC1CCc2c1c(CN)nn2Cc1c(C)cc(C)cc1C	MCULE-6578416442,EMOLS-id_331016435	283.411	GMOPCCFPXSSTFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046221
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(N)c12	MCULE-3729784865,EMOLS-id_331011232	283.411	VMUZBKFBHSHOFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046222
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(CN)c12	MCULE-3162773337,EMOLS-id_330993854	283.411	SNTKRAFVQNFBPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046223
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(CN)c12	MCULE-3241073430,EMOLS-id_330994110	283.411	OVVMSTIECQEOIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046224
Cc1ccc(c(c1)C)C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_318373685,MCULE-2257834204	283.411	FTHWVRWFTVOEPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046225
Cc1ccc(cc1)C(CNC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318102418,MCULE-9306326267	283.411	MOOOMQFTAPKACI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046226
Cc1ccccc1C(CNC1CC(n2c1ncc2)C)(C)C	MCULE-1021003877,EMOLS-id_318135549	283.411	ZSPIWCGFHNNITR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046227
Cc1cc(C)c(c(c1)C)CCNC1CC(n2c1ncc2)C	EMOLS-id_318234858,MCULE-6626401440	283.411	JTZQFGABWPIHBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046228
Cc1cc(C)c(c(c1)C)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318373700,MCULE-3566939206	283.411	MMSBMTPEFUETOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046229
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_330994879,MCULE-9503653985	283.411	JOXCNMJDPDWONS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046230
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_331001777,MCULE-5494934834	283.411	CEODSHZHAHUUTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046231
CCc1ccccc1C(C)n1nc2CCC(C)c2c1CN	MCULE-6209263480,EMOLS-id_330999219	283.411	UYPYUXFMVQEGRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046232
CC(c1ccc(cc1)CNCc1cnc2n1CCC2)(C)C	EMOLS-id_318165006,MCULE-3721626845	283.411	BKDIBWMZEQBSKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046233
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1CN	EMOLS-id_330995135,MCULE-4950521174	283.411	JJHGNUMLZQIIIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046234
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1CN	EMOLS-id_330998706,MCULE-7241871450	283.411	DYRCTIIPLBWHOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046235
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1CN	EMOLS-id_331001521,MCULE-9750036683	283.411	PUYWMDDWKNFSCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046236
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1CN	MCULE-6830230242,EMOLS-id_330999475	283.411	WEBTTXBDDVNVAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046237
ClC1CCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_114301133	283.817	NQNVFUGPOHMDCO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046305
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1N	EMOLS-id_331013289,MCULE-9013420802	283.411	ROVCZZVHJWFWKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046238
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1N	EMOLS-id_331013545,MCULE-8902289532	283.411	BFMQQTBYXKSLAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046239
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1CN	EMOLS-id_330998450,MCULE-6366752022	283.411	PZYKZLQKAOWAHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046240
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1CN	MCULE-2458968437,EMOLS-id_330994623	283.411	HTBXTYKURAQSEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046241
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331010988,MCULE-5944626331	283.411	WNDHBYNMTKKLTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046242
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331014057,MCULE-2558905074	283.411	JSNJZPNQTNPAQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046243
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1N	MCULE-2212172612,EMOLS-id_331013801	283.411	ILYFPCQJTZRTIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046244
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1CN	MCULE-1216503568,EMOLS-id_330994366	283.411	ZMLMPPNGYFCGPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046245
CC(C)c1ccccc1Cn1nc(CN)c2C(C)CCc12	MCULE-9520205545,EMOLS-id_331016691	283.411	JPFIDQMTPCMWKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046246
CC(C(c1ccccc1)NCc1cnc2n1CCC2)(C)C	MCULE-7497586677,EMOLS-id_318002970	283.411	SVCYUSWZLDNJBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046247
CC(C)c1cccc(Cn2nc3CCC(C)c3c2CN)c1	MCULE-5106668125,EMOLS-id_330997182	283.411	NNLGHMIWWXZFMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046248
CC(C)c1cccc(Cn2nc(CN)c3C(C)CCc23)c1	MCULE-6279388928,EMOLS-id_331015412	283.411	KQFRWEQSBKIEQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046249
CCCc1ccc(Cn2nc3CCC(C)c3c2CN)cc1	EMOLS-id_330997429,MCULE-8993464857	283.411	KBZQMRGVIIWKQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046250
CC(C)c1ccc(Cn2nc3CCC(C)c3c2CN)cc1	MCULE-8988907081,EMOLS-id_330997685	283.411	TXQKXSDJAKGOOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046251
CC(C)c1ccc(Cn2nc(CN)c3C(C)CCc23)cc1	MCULE-3647647170,EMOLS-id_331011835	283.411	RVHXNRUCAKFGPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046252
CCCc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1	MCULE-9469764916,EMOLS-id_331011579	283.411	PCCPKOIQOBSASC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046253
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2N)cc1	MCULE-6345461826,EMOLS-id_331010976	283.411	KNOQESUABXQTNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046254
CC(NC1CC(n2c1ncc2)C)Cc1ccc(cc1C)C	EMOLS-id_318225106,MCULE-6412353840	283.411	QTWQZDOUMYOPOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046255
CC(NC1CC(n2c1ncc2)C)Cc1cc(C)cc(c1)C	EMOLS-id_318118032,MCULE-1737030858	283.411	YBORLQYFJKZYTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046256
CCCC(C(=O)Nc1sc2c(n1)CCC2)C(=S)N	PC-id_61859274,EMOLS-id_314155119	283.413	HJIFCFALJIPPBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046257
CCC(C(=O)Nc1sc2c(n1)CCC2)(C(=S)N)C	EMOLS-id_314731797,PC-id_113270566	283.413	LZMSFOMJHUYVOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046258
CC(C(C(=O)Nc1sc2c(n1)CCC2)C(=S)N)C	PC-id_61859473,EMOLS-id_314155375	283.413	BMSVXBSBWYKSDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046259
S1CC(NCC1)CC(=O)Nc1sc2CCCc2n1	PC-id_66422081	283.413	RODYPBYXYDDAGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046260
s1c2C(CCc2c(OCC(O)CNC(C)(C)C)c1)C	PC-id_10636743	283.429	HVSFVXCYCZIDNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046261
CCCCOCC(CNCc1sc2c(c1)CCC2)O	PC-id_107262641	283.43	NDOUBVKDLZANJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046262
s1c2c(CCC2)cc1CNCCC(OCC)OCC	PC-id_81094183	283.43	RJUSDVKYIGACGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046263
s1c2c(CCC2)cc1CNCC(O)COCC(C)C	PC-id_61207599	283.43	CVQZZZZIFSUNRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046264
s1c2c(CCC2)cc1CNCC(O)COC(C)(C)C	PC-id_61208363	283.43	KKYQPJQGSSAQME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046265
CNC(C1CC1c1ccccc1)c1sc2c(c1)CCC2	PC-id_105052456	283.431	DLJDPXMAUXBTTC-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-046266
CNC(c1sc2c(c1)CCC2)CC1Cc2c1cccc2	PC-id_105003340	283.431	ZDPZEBLFDICBLX-UHFFFAOYSA-N	00001010100000100000001010000000000000000000000000000000	25-01-046267
NC(c1ccccc1C1CCC1)c1sc2c(c1)CCC2	PC-id_105052193	283.431	JDRYLJXRFVKRAE-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-046268
NC(c1sc2c(c1)CCC2)c1ccc(cc1)C1CCC1	PC-id_105044852	283.431	MJNMLILUNGUGPZ-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-046269
NC(c1sc2c(c1)CCC2)c1cccc(c1)C1CCC1	PC-id_105053619	283.431	QDHNLOSHXBWJID-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-046270
s1c2c(CCC2)cc1CNCc1c(C2CC2)cccc1	PC-id_79883615	283.431	XGMRFIJJMJSSDE-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-046271
s1c2c(CCC2)cc1CNCc1cc(C2CC2)ccc1	PC-id_79969749	283.431	FDZHJFAHHSAEMP-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-046272
s1c2c(CCC2)cc1CNCc1ccc(C2CC2)cc1	PC-id_79969750	283.431	HCPBGLTYSJKHJF-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-046273
s1c(CNC2CC(C2)c2ccccc2)cc2c1CCC2	PC-id_61208355	283.431	AUCXLJXNWCAVGQ-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-046274
s1c(CNC(C2CC2)c2ccccc2)cc2c1CCC2	PC-id_61313166	283.431	JXNSMELRMHDKRJ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-046275
S(c1n2c(CCC2)cc1SC(C)(C)C)C(C)(C)C	PC-id_12692781	283.496	QWVUOXLNIYFQND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046276
c12CN(Cc1nn(CC(F)(F)F)c2Cl)C(=O)OC	MCULE-6117354609,EMOLS-id_324344416	283.635	GPMQNTGZDRSMBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046277
ClC1C(NC(=O)C(F)(F)F)c2c(scc2)C1=O	PC-id_494394	283.655	FSJFWNXNDUIWQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046278
Cl[C@H]1[C@@H](NC(=O)C(F)(F)F)c2c(C1=O)scc2	CoCoCo_5678170,PC-id_360172,NSC622144	283.655	FSJFWNXNDUIWQQ-WHFBIAKZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046279
Cl[C@@H]1[C@H](NC(=O)C(F)(F)F)c2c(C1=O)scc2	CoCoCo_5678171	283.655	FSJFWNXNDUIWQQ-RFZPGFLSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046280
Cl[C@@H]1[C@@H](NC(=O)C(F)(F)F)c2c(C1=O)scc2	CoCoCo_5678172,PC-id_23242636	283.655	FSJFWNXNDUIWQQ-UHNVWZDZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046281
Cl[C@H]1[C@H](NC(=O)C(F)(F)F)c2c(C1=O)scc2	PC-id_92530464,CoCoCo_5678173	283.655	FSJFWNXNDUIWQQ-CRCLSJGQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046282
Clc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	SCHEMBL2198707,PC-id_25113032	283.734	FETCTOFGWZPHIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046283
CC(CC(F)(F)F)NC1CCc2c1cc(s2)Cl	PC-id_104860342	283.741	KCTFBSFALFQURM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046284
FC(CCCNC1CCc2c1cc(s2)Cl)(F)F	PC-id_113326935,EMOLS-id_315719184	283.741	OUYFQEXAXDASEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046285
Clc1sc2CCC(Nc3cc(F)c(O)cc3)c2c1	PC-id_81252507	283.749	CLZBORBNRSUFKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046286
Clc1c(CN2Cc3sc(nc3C2)N)c(F)ccc1	PC-id_82194311	283.752	APQVNJXSFBKMBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046287
Clc1cnc(c(c1)F)NCc1sc2c(n1)CCC2	EMOLS-id_318441822,MCULE-4008479811	283.752	MPLUHIPAMUEGJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046288
Clc1ncc(c(n1)NCc1sc2c(c1)CCC2)F	PC-id_114156598	283.752	HKCSMRJLHJXVQW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046289
c12CN(Cc1nn(CC1CCCC1)c2Cl)C(=O)OC	MCULE-4543435942,EMOLS-id_324343136	283.754	KYTZEIQAUQUGIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046290
CC1CC(CN(C1)C(=O)c1nn2CCOc2c1Cl)C	PC-id_91960027	283.754	ZGMJHRNTISHHIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046291
Cc1noc(n1)CCNC1CCc2c1cc(s2)Cl	PC-id_113348441	283.777	CXVIENUZWSGPPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046292
Cc1onc(n1)CCNC1CCc2c1cc(s2)Cl	PC-id_103931650	283.777	KWJDDOSHKBJWJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046293
Clc1cnc(s1)CNC(c1nnc2n1CCC2)C	EMOLS-id_317915924,MCULE-6302472025,PC-id_113526235	283.78	OOXINJJVCIDNLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046294
Clc1csc(n1)CNC(c1nnc2n1CCC2)C	EMOLS-id_318490233,MCULE-9091626916	283.78	MOMFRVPONRVFGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046295
CC(C)(C)OC(=O)n1c2c(CCC2)cc1CCCCl	PC-id_135007707	283.794	WZVAYUUDYQRDFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046296
Clc1ccc(s1)C(=O)c1c(N)sc2c1CCC2	PC-id_9900453,SCHEMBL5675385	283.797	BRXULWKVCGQXSX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046297
CC1Sc2n(C1)sc(=Nc1ccc(cc1)Cl)n2	PC-id_101635499	283.8	QZTTYBQFIQBDHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046298
Clc1ccc(CSc2n3CCSc3nn2)cc1	PC-id_2797702	283.8	SBBGEYOAXFYYCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046299
CC1CN(CCC1Cl)C(=O)c1sc2c(c1)CCC2	PC-id_113616944	283.817	HJEQXQHMZFTNCV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046300
ClC1CC(C1)CN(C(=O)c1sc2c(c1)CCC2)C	PC-id_65997456,EMOLS-id_315333848	283.817	GGPCTOFZNXHBNN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-046301
ClC1CCC(C1)CNC(=O)c1sc2c(c1)CCC2	PC-id_106126980	283.817	PMBFGXGMDGGEQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046302
ClC1CCCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_113272913	283.817	JMTZAJKDWKFXKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046303
ClC1CCC(CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_113271598,EMOLS-id_314979637	283.817	AYKRIIUEHREPMH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046304
ClC1CN(CCC1C)C(=O)c1sc2c(c1)CCC2	PC-id_113757881	283.817	SRRUMYDJANFFME-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046306
Clc1sc2c(c1)C(CC2)NC1CCOC1C1CC1	PC-id_103905853	283.817	UWWKLUIUTIUDBA-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-046307
ClCC1(CCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_314739838,PC-id_114300524	283.817	KSCKGCJKKKXXHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046308
ClCC1CCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_114179373	283.817	VDAXOMCISFBRJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046309
ClCC1C(C)CCN1C(=O)c1sc2c(c1)CCC2	PC-id_102787191	283.817	PCWUUXDOMOUTFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046310
ClCC1CCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_63392753	283.817	NFAMGDJSYOLGKF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046311
ClCC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_63397950,EMOLS-id_314242760	283.817	YXTPQOJCNWJSGH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046312
ClCC1N(CCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_63395154	283.817	XDAOUWJYRHKGSA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046313
ClCCC1CCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_113635984	283.817	NHZPJDDYTHRNOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046314
ClCCC1(CNC(=O)c2sc3c(c2)CCC3)CC1	PC-id_113629791	283.817	IHBAIQPOIDWUDO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-046315
ClCCN(C(=O)c1sc2c(c1)CCC2)C1CCC1	PC-id_102872834	283.817	FUSNZRCRGFJWHX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-046316
Clc1n(c2SCC[n+]2c1/C=C/c1sccc1)C	CHEMBL1195980,PC-id_10476708	283.82	DBOQPYLHOAVACO-SNAWJCMRSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046317
Clc1n(c2SCC[n+]2c1C=Cc1sccc1)C	PC-id_10047210	283.82	DBOQPYLHOAVACO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046318
[n+]12c(n(c(c1/C=Cc1sccc1)Cl)C)SCC2	CHEMBL1189527	283.82	DBOQPYLHOAVACO-PLNGDYQASA-N	00000010100100000001000010000000000000000000000000000000	25-01-046319
Clc1ccc(s1)CC(c1sc2c(c1)CCC2)N	PC-id_113665854	283.84	IRVZFSHKUUSFTN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046320
Clc1ccc(s1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138557,PC-id_61207399	283.84	ZTBWXFGLFJYWGM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046321
Clc1cc(sc1)CNCc1sc2c(CCC2)c1	EMOLS-id_42261423,PC-id_79419399	283.84	FZNCSXNDJPLMAG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046322
Clc1c(scc1)C(NC)c1sc2c(CCC2)c1	PC-id_80529033	283.84	WDRWAUUXTAGJAO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046323
Clc1sc2c(C(NC(c3ccsc3)C)CC2)c1	PC-id_81251527	283.84	ZUAUKZKPGANNOP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046324
Clc1sc2c(C(NCc3c(csc3)C)CC2)c1	PC-id_81251634	283.84	FREGNIOHMZKSSZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046325
Clc1sc2c(C(NCc3sccc3C)CC2)c1	PC-id_81251538	283.84	YLWMDDNHNIIUTG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046326
Clc1sc2c(C(NCc3sc(cc3)C)CC2)c1	PC-id_81252189	283.84	KCXPCWFRTVUSMX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046327
Clc1sc2c(C(NC(c3sccc3)C)CC2)c1	PC-id_81252675	283.84	AQFNRDFDRIJXIL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046328
Clc1sc2c(C(NCCc3ccsc3)CC2)c1	PC-id_81251313	283.84	ZWERLZPEQZYDOR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046329
Clc1sc2c(C(NCCc3sccc3)CC2)c1	PC-id_81251494	283.84	MRVDWOKYOBNUIK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046330
Clc1sc2c(C(N[C@H](c3sccc3)C)CC2)c1	PC-id_81398602	283.84	AQFNRDFDRIJXIL-PEHGTWAWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046331
Clc1sc2c(C(N[C@@H](c3sccc3)C)CC2)c1	PC-id_81398867	283.84	AQFNRDFDRIJXIL-HNHGDDPOSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046332
Clc1sc(C(NC)c2sc3c(CCC3)c2)cc1	PC-id_43485370	283.84	JKAXXFLWXDJVNQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046333
NC(c1sc(c(c1)C)Cl)c1sc2c(c1)CCC2	PC-id_113733600	283.84	OKSZGFKNDNWKPJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046334
CC1CCCC(C1)CNC1CCc2c1cc(s2)Cl	PC-id_105929136	283.86	ODXJLAWVSGJJRN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046335
CC1CCCC(CC1)NC1CCc2c1cc(s2)Cl	PC-id_105690160	283.86	ZCERQIKIGRZZED-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-046336
CCC1(CCCC1)CNC1CCc2c1cc(s2)Cl	PC-id_105885848	283.86	UDEWZIFKJGLCNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046337
Clc1cc2c(s1)CCC2NCCCC1CCCC1	PC-id_114136685	283.86	KCCFKCXDOKYTRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046338
Clc1sc2c(c1)C(CC2)NCC1(C)CCCCC1	PC-id_105652875	283.86	ZJEROEUBZYCITK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046339
Clc1sc2c(C(NC3C(C(CC3)CC)C)CC2)c1	PC-id_81252711	283.86	FMCGQJZIXKECKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046340
Clc1sc2c(C(NC3C(CC(CC3)C)C)CC2)c1	PC-id_81251972	283.86	GQHHDBQJTIYHHW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046341
Clc1sc2c(C(NC3CC(CC(C3)C)C)CC2)c1	PC-id_81252196	283.86	KTQSPOABWPLXQI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046342
Clc1sc2c(C(NC3CC(C(CC3)C)C)CC2)c1	PC-id_81252303	283.86	JMDSRNMJNPPCQQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046343
Clc1sc2c(C(NC3C(CCCC3)CC)CC2)c1	PC-id_81252388	283.86	TZCJIEKBDCTYBJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046344
Clc1sc2c(C(NC3CC(CCC3)CC)CC2)c1	PC-id_81252410	283.86	CWSMTRVMQUHWKR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046345
Clc1sc2c(C(NC3C(CCCC3)(C)C)CC2)c1	PC-id_81252510	283.86	IRGUINZFYBOERA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046346
Clc1sc2c(C(NC3CCC(CC3)(C)C)CC2)c1	PC-id_81252604	283.86	GVGZTGAWVCDMHR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046347
Clc1sc2c(C(NC3CCC(CC3)CC)CC2)c1	PC-id_81252801	283.86	GHWDSPSIKOQVON-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046348
Clc1sc2c(C(NC3C(C(CCC3)C)C)CC2)c1	PC-id_81252983	283.86	MKJPEUJHDMWFGJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046349
Clc1sc2c(C(NC3CC(CCC3)(C)C)CC2)c1	PC-id_81564593	283.86	MMOMBTJBQWLPHZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046350
Clc1sc2c(C(NC3C(CCCCC3)C)CC2)c1	PC-id_81251327	283.86	BYMJYBJBJHSDSQ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-046351
Clc1sc2c(C(NC3CCCCCCC3)CC2)c1	PC-id_81251396	283.86	IEBZJKLKGSNSFK-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-046352
Clc1sc2c(C(NCC3C(C3(C)C)(C)C)CC2)c1	PC-id_81251632	283.86	QJCUMSJRUABFNE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-046353
Clc1sc2c(C(NC(C3CCCCC3)C)CC2)c1	PC-id_81251857	283.86	DAPBXJHTRYFNOH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046354
Clc1sc2c(C(NCC3C(CCCC3)C)CC2)c1	PC-id_81252912	283.86	XVHYAOAZVDHXBO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046355
Clc1sc2c(C(NCC3CCC(CC3)C)CC2)c1	PC-id_81252916	283.86	GMXMKCOAYCKRDI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046356
Clc1sc2c(C(NCCC3CCCCC3)CC2)c1	PC-id_81251731	283.86	RQSSABCFDPIQBT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046357
Clc1sc2c(C(N[C@@H](C3CCCCC3)C)CC2)c1	PC-id_81385264	283.86	DAPBXJHTRYFNOH-VUUHIHSGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046358
Clc1sc2c(C(N[C@H](C3CCCCC3)C)CC2)c1	PC-id_81388138	283.86	DAPBXJHTRYFNOH-NKUHCKNESA-N	00000010100010000000000010000000000000000000000000000000	25-01-046359
BrC1=Cc2c(C1=O)c(Cl)sc2Cl	NSC711744,CoCoCo_5778861,PC-id_400226	283.957	ZXVRGUHEUKLWPK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-046360
C[C@@H]1CC2=C(C1(F)F)NN=C2I	PC-id_148777932	283.962	OJSQIVSPOSMSJO-GSVOUGTGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046361
Brc1sc(c2c1COC2)Br	SCHEMBL19056348	283.968	DCMIHNCBWYDLRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046362
CC1=C(SC(=N1)C)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164872229	284.04	SZHLZDKXXWZKAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046363
C1CCC(C1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[O-]	PC-id_154491877	284.071	KFTWUYISHWIZBM-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-046364
C1C2=C(CN1C(=O)C3=C(C=CS3)N4C=CC=C4)NN=C2	PC-id_154735334	284.073	YMRRJDVOVLROMT-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-046365
Ic1n[nH]c2c1CS(=O)(=O)C2	SCHEMBL17234792,PC-id_118493354	284.075	ILOYSLYIGATFMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046366
C1c2c(c(=O)[nH][nH]2)C(=Nc2c(cc(cc2)Cl)Cl)O1	PC-id_135966534	284.098	XTZFPXFLGRRDHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046367
CN1C2=C(CNC2)C(=N1)NC3=NC=CC(=N3)C(F)(F)F	PC-id_152102262	284.1	VBMMWNKCXDTLBQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046368
CC(C)C[C@@H](CN)NC(=O)C1CC2=C(S1)C=CS2	PC-id_164167363	284.102	ZSHLFUPXCRPMBR-QHGLUPRGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046369
C=C/C=C(/C1CC(c2n1nc(n2)Br)F)C=C	PC-id_142515029	284.128	VXPIZPORFAVXCS-FNORWQNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046370
Clc1ccc(OCc2nc3n(n2)CCC3)c(Cl)c1	MCULE-8229938025,ZINC22_28527164,EMOLS-id_32193090,CoCoCo_6600627,PC-id_16458522	284.141	PNCAKEFBWSVQNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046371
Clc1ccc(OCc2nnc3CCCn23)c(Cl)c1	MCULE-3242540034,EMOLS-id_9819357,PC-id_16432574,CoCoCo_5791665,ZINC22_16740123	284.141	PXQJXDQJIIYFAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046372
Clc1cnc(c(c1)Cl)NCc1nnc2n1CCC2	MCULE-5098462947,EMOLS-id_318606679	284.145	SZBMYKGDPNTCCE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046373
O=C1N(CC2CCC2)Cn2c1nc(c2Br)C	PC-id_140261584	284.152	ROUQISLNRLRLNE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046374
BrC#CC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_107245062	284.172	LYFUUBOTAVEINI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046375
C1CC2=CC(=NN2C1)CN3CC[C@@H](C3)NC4=NC=CC=N4	ZINC22_1616043540,PC-id_164632204	284.175	BDFDDIYAKFGLLK-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046376
Brc1cnn(Cc2nc3CCCc3s2)c1	MCULE-8962099418,EMOLS-id_316299872,ZINC22_1775986048	284.176	QYHHRTPQIROZDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046377
CC1Cc2c(C1(F)F)n(nc2C(F)(F)F)CC(=O)O	PC-id_134276390	284.183	HYLZNOKFURQOIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046378
OC(=O)Cn1nc(c2c1C(F)(F)[C@@H](C2)C)C(F)(F)F	SCHEMBL19890880	284.183	HYLZNOKFURQOIB-SCSAIBSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046379
CC1C(=Cc2cc(cn12)Br)C(C)OC(C)C	PC-id_134340418	284.192	YCYGOOIWSZCXHX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-046380
CCN(C)CC1=CC=CC(=C1)CNC2CCN3C2=NC=C3	PC-id_154744255,EMOLS-id_317318364,MCULE-4245172720	284.2	VNYZLOQBEALHHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046381
OC(=O)C(=O)Nc1sc2c(c1C(=O)O)C(=O)NC2=O	PC-id_70122985,SCHEMBL7539975	284.202	BLCLYKWOEKXKIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046382
Clc1sc2CCC(Nc3ccc(Cl)cc3)c2c1	PC-id_81252266	284.204	MAPWHEQAVFSKSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046383
Clc1sc2CCC(Nc3cc(Cl)ccc3)c2c1	PC-id_81252157	284.204	UQFCDTMCBKIOPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046384
Clc1sc2CCC(Nc3c(Cl)cccc3)c2c1	PC-id_81252670	284.204	WFDOUGWQTGWERU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046385
CC1(c2c(C(N1O)(C)C)[se]c(c2N)C#N)C	PC-id_134833072	284.216	UKWHBYIIMVRKDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046386
c12CN(Cc1nn(CC(F)F)c2CN)CC(F)(F)F	MCULE-3943302284,EMOLS-id_324346990	284.229	LZNGTMKISICTDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046387
Cn1ncc2c1CN(C(=O)c1ccc(C(F)(F)F)[nH]1)C2	ZINC22_623251417	284.237	YUELPBGRQVPSIU-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-046388
O=c1ccc(C(F)(F)F)nn1Cc1cc2n(n1)CCC2	ZINC22_650317592	284.237	UDDYSHREQGNPFY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046389
FC(c1ccc(nn1)NCc1nnc2n1CCC2)(F)F	MCULE-9308808601,EMOLS-id_318388754	284.24	QVEGIAYBUJVXTM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046390
FC(F)(F)c1ccnc(NCc2nnc3CCCn23)n1	PC-id_31537354,EMOLS-id_46026891,ZINC22_24055818,MCULE-6911765583	284.24	JSEVIHNYJLLLIL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046391
c1csc2c1C(=C(C#N)C#N)C(C2=C(C#N)C#N)(F)F	PC-id_88560236,SCHEMBL10064738	284.244	OVDULBUBQXSKFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046392
[C-]#[N+]C(=C1c2c(C(=C(C#N)[N+]#[C-])C1(F)F)scc2)C#N	PC-id_87527098	284.244	MWHHFTUAINHVHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046393
[C-]#[N+]/C(=C
/c2sccc2/C(=C(/[N+]#[C-])C#N)/C1(F)F)/C#N	SCHEMBL3432790	284.244	MWHHFTUAINHVHT-WGEIWTTOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046394
[C-]#[N+]/C(=C/1c2sccc2/C(=C([N+]#[C-])/C#N)/C1(F)F)/C#N	SCHEMBL3434290	284.244	MWHHFTUAINHVHT-GFULKKFKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046395
N#Cc1nc2c(n1C(F)F)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380724,PC-id_118614450	284.262	BLINIXPFIQDCBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046396
CC(C)(C)OC(=O)NCC1Cn2cc(nc2O1)[N+](=O)[O-]	PC-id_91092023	284.269	UYCSTHUOUMMYCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046397
N#Cc1ccc(NCc2nnc3n2CCC3)c([N+](=O)[O-])c1	PC-id_18281789,MCULE-3567327418,ZINC22_12537106,CoCoCo_4556123,EMOLS-id_24122302	284.273	SNBCIVPZRVKTKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046398
N#Cc1cc([N+](=O)[O-])ccc1NCc1nnc2n1CCC2	PC-id_18282660,MCULE-4586764726,ZINC22_25005886,CoCoCo_4556077,EMOLS-id_19935793	284.273	JNWNMTJOAOFITC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046399
CC(C)NC(=O)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960089	284.287	CIMFRXZWEMUBQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046400
N#Cc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)F	MCULE-8522911152,EMOLS-id_320315712	284.288	NTLNNTMYAHMPQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046401
Fc1ccc(nc1)c1ccn(n1)Cc1nnc2n1CCC2	EMOLS-id_319804920	284.292	SHXCGIPVWZGDQQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046402
Fc1cc(F)c(cc1C(c1sc2c(c1)CCC2)O)F	PC-id_103303296	284.297	YULFNPKIUFQJAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046403
OC(c1ccc(c(c1F)F)F)c1sc2c(c1)CCC2	PC-id_115796890	284.297	MZFUNNGDVIDKKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046404
s1c2c(CCC2)cc1C(O)c1c(F)cc(F)cc1F	PC-id_61088235	284.297	QZJUVKUJHAMRFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046405
C1Cn2c(c[nH]c2=S)C1Cc1cc(cc(c1F)F)F	PC-id_134376946,SCHEMBL20005718	284.3	BPRCLDMTXZRTDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046406
C1Cn2c(c[nH]c2=S)C1Cc1c(ccc(c1F)F)F	SCHEMBL20005728,PC-id_134376955	284.3	FJIUMCRHZAKUMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046407
Fc1cc(F)c(cc1C(c1sc2c(n1)CCC2)N)F	PC-id_108240028	284.3	WIKCJFXNMTZACI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046408
Fc1cc(F)c(nc1NCc1sc2c(c1)CCC2)F	PC-id_114156597	284.3	WIBXVSNFBFHTSZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046409
s1c2CCCc2nc1C(N)c1cc(F)c(F)c(F)c1	PC-id_63078223	284.3	CFSBGMQJWKFBDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046410
c1(C(=O)OCC)c2C(C)CCc2n(CC2CC2(F)F)n1	MCULE-5063918804,EMOLS-id_330995452	284.302	XFTIZKCREPZXRT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046411
c1(C(=O)OCC)c2C(C)CCc2nn1CC1CC1(F)F	EMOLS-id_330980279,MCULE-5748588082	284.302	WHWKGQUGJUQCJC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046412
FC(CN1CCC(C1)NC(=O)c1cnn2c1CCC2)F	MCULE-8868449071,EMOLS-id_101780218	284.305	STIRGOLFMXJYBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046413
FC(CN1CCC(C1)NC(=O)c1nn2c(c1)CCC2)F	EMOLS-id_101780212	284.305	QPVVYHLOAXLISK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046414
O=C(c1cn2c(n1)CCC2)NCC1CCNCC1(F)F	EMOLS-id_316904105,MCULE-7435667235	284.305	NGXVUTZTEWENCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046415
O=C(C1NCc2c1c[nH]n2)NCCC1CCC(C1)(F)F	EMOLS-id_319146564	284.305	UXBJKKXCWXZOIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046416
O=C(C1NCc2c1c[nH]n2)NCCC1CCCC1(F)F	EMOLS-id_319200214	284.305	XJXFZVUFGYUNAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046417
O=C(NC[C@H]1CCNCC1(F)F)c1cn2c(n1)CCC2	ZINC22_335662846	284.305	NGXVUTZTEWENCS-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046418
O=C(NC[C@@H]1CCNCC1(F)F)c1cn2c(n1)CCC2	ZINC22_335662847	284.305	NGXVUTZTEWENCS-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-046419
O=C(N[C@@H]1CCN(CC(F)F)C1)c1cnn2c1CCC2	ZINC22_333193552	284.305	STIRGOLFMXJYBN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046420
O=C(N[C@H]1CCN(CC(F)F)C1)c1cnn2c1CCC2	ZINC22_333193554	284.305	STIRGOLFMXJYBN-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-046421
CC([C@@H]1N(C(=O)c2ccccc2)C(=O)c2c1noc2C)C	PC-id_102228464	284.31	MOHVYDREDXSMSJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046422
COc1ccc(cc1)NC(=O)CC1Cn2c(C1=O)ccc2	TIMTEC52123,PC-id_24023196	284.31	WAKGOGFYLCXFBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046423
COc1ccc(cc1)NC(=O)C[C@@H]1Cn2c(C1=O)ccc2	PC-id_93531905	284.31	WAKGOGFYLCXFBF-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046424
COc1ccc(cc1)NC(=O)C[C@H]1Cn2c(C1=O)ccc2	PC-id_93531906	284.31	WAKGOGFYLCXFBF-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-046425
NC(=O)c1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1004575,PC-id_59180209	284.31	OFIQBMYNLHSIDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046426
O=C1c2c([nH]cc2C(=O)Nc2ccc(OCC)cc2)CC1	PC-id_9882266	284.31	MYRXFTOTOOZDPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046427
O=C1Cc2n(nc(c2C1)C(=O)OCC)Cc1ccccc1	PC-id_83854077	284.31	MGMRKMGNMCKKCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046428
O=C(C1Cn2c(C1)ccc2)c1n2c(C(CC2)C(=O)O)cc1	SCHEMBL9384091,PC-id_20073577	284.31	KRCIIKGJQIJBLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046429
C1Cc2c(C(=O)NN=Cc3ccc(OC)cc3)n[nH]c2C1	PC-id_3677642,MCULE-2134377718	284.313	ALLSFTOHZUKUHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046430
c1(C(=O)NC2CC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316328244,MCULE-7046445381	284.313	MJMUUNVZEJDQCN-ZDUSSCGKSA-N	00100010100000101001000010000000000000000000000000000000	25-01-046431
c1(C(=O)Nc2ccc(cc2)C(=O)N)c2CCCc2n(C)n1	EMOLS-id_180404752,PC-id_110678748,MCULE-3513028831	284.313	CPYAAZKHZBEFBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046432
c1(C(=O)Nc2ccccc2C(=O)N)c2CCCc2n(C)n1	PC-id_110678747,MCULE-8083409939,EMOLS-id_180404749	284.313	HFSUHVGRAURXAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046433
c1(C(=O)Nc2cccc(c2)NC(=O)C)c2CCCc2[nH]n1	EMOLS-id_179744846,PC-id_110388926,MCULE-4034225771	284.313	JWTJAZIRQRTHKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046434
c1(C(=O)Nc2ccc(cc2)NC(=O)C)c2CCCc2[nH]n1	MCULE-6855286917,PC-id_110388927,EMOLS-id_179744849	284.313	LZNHJEFFSIFHHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046435
c1(C(=O)Nc2cccc(c2)NC(=O)C)cn2c(CCC2)n1	EMOLS-id_321297627,MCULE-9069041583	284.313	SDFJKLNGMZRIJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046436
c1(C(=O)Nc2ccc(cc2)NC(=O)C)cn2c(CCC2)n1	MCULE-4485293630,EMOLS-id_321297883	284.313	XXGIPNDPYUHLCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046437
c1(C(=O)NN=Cc2ccccc2OC)c2CCCc2[nH]n1	PC-id_5400020,MCULE-4920543463	284.313	FSPIBRZEBRVOPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046438
c1(C(=O)NN=Cc2cccc(OC)c2)c2CCCc2[nH]n1	MCULE-3318962557,PC-id_5422257	284.313	CYGSPJHVGNJQLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046439
c1(C(=O)NN=C(C)c2ccc(cc2)O)c2CCCc2[nH]n1	MCULE-6086902544	284.313	GJHWJVALJUDHRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046440
c1(C(=O)NN=C(C)c2ccccc2O)c2CCCc2[nH]n1	MCULE-9217528589	284.313	GAASQPMUWAWTLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046441
c1(C(=O)NN=C(C)c2cccc(O)c2)c2CCCc2[nH]n1	MCULE-5170987792,PC-id_716812	284.313	DAKYEWASYKZBBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046442
Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68441806,SCHEMBL2922009	284.313	DCJRCZCEPYZLOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046443
C/C(=N/NC(=O)c1n[nH]c2c1CCC2)/c1ccccc1O	CoCoCo_1701134,PC-id_136694790,CoCoCo_1701132	284.313	GAASQPMUWAWTLG-SXGWCWSVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046444
C/C(=N/NC(=O)c1n[nH]c2c1CCC2)/c1ccc(cc1)O	CoCoCo_6879999,CoCoCo_6880001,PC-id_136690124	284.313	GJHWJVALJUDHRO-SXGWCWSVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046445
C/C(=NNC(=O)c1n[nH]c2CCCc12)/c1ccccc1O	CoCoCo_1701133,SPECS-id_AT-225/NB93053,PC-id_135704677,SPECS-id_AT-225/NB56635,CoCoCo_1701131,STOCK3S-87649,EMOLS-id_26319899	284.313	GAASQPMUWAWTLG-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046446
C/C(=N/NC(=O)c1n[nH]c2CCCc12)/c1cccc(O)c1	PC-id_5396931,CoCoCo_1768224,STOCK3S-31821,CoCoCo_1768222,EMOLS-id_26301486	284.313	DAKYEWASYKZBBL-SXGWCWSVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046447
C/C(=NNC(=O)c1n[nH]c2CCCc12)/c1ccc(O)cc1	EMOLS-id_702159,CoCoCo_6880000,CoCoCo_6879998,PC-id_135437766,SPECS-id_AF-399/13806029,SPECS-id_AT-225/NB40680	284.313	GJHWJVALJUDHRO-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046448
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1C	SCHEMBL2915512,PC-id_68439637	284.313	HGWRGVGPDJBCGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046449
CC(=O)N1Cc2c(C1)n(nc2)NC(=O)Cc1ccccc1	PC-id_90758278	284.313	XIVVEOBEEULTIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046450
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C)cc3)c2C1	CHEMBL382416,SCHEMBL2918134,BindingDB-id_21783,BindingDB_PC-id_23645979,PC-id_23645979	284.313	AUBRDCSUKBUOFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046451
CC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1	PC-id_9857034,CHEMBL205167,BindingDB_PC-id_9857034,SCHEMBL2921958,BindingDB-id_21792	284.313	SFYXQHJWZIXJLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046452
COc1ccccc1/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_1723177,CoCoCo_1723175	284.313	FSPIBRZEBRVOPO-SXGWCWSVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046453
COc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCC2	CoCoCo_1723176,CoCoCo_1723174,STOCK3S-86805,PC-id_6881063,EMOLS-id_26319671,TIMTEC155056	284.313	FSPIBRZEBRVOPO-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046454
COc1cccc(c1)/C=N/NC(=O)c1n[nH]c2c1CCC2	STOCK3S-31603,PC-id_6888249,CoCoCo_5024349,CoCoCo_5024347,EMOLS-id_26301434	284.313	CYGSPJHVGNJQLA-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046455
COc1cccc(/C=NNC(=O)c2n[nH]c3CCCc23)c1	EMOLS-id_207007560,TIMTEC113503,CoCoCo_5024346,CoCoCo_5024348	284.313	CYGSPJHVGNJQLA-SXGWCWSVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046456
NC(=O)[C@H](NC(=O)c1cc2c([nH]1)CCC2)c1ccccn1	ZINC22_1875330540	284.313	SIFLVHPTMYRQCE-CYBMUJFWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046457
NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)CCC2)c1ccccn1	ZINC22_1875330541	284.313	SIFLVHPTMYRQCE-ZDUSSCGKSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046458
Oc1cccc(c1)/C(=N/NC(=O)c1[nH]nc2c1CCC2)/C	CoCoCo_1768225,CoCoCo_1768223,PC-id_6926524	284.313	DAKYEWASYKZBBL-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046459
O=C1CCN1c1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_319728093	284.313	FVEOYILIERUXRA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-046460
O=C1CCN1c1cccc(c1)OCc1nnc2n1CCC2	EMOLS-id_320027542,MCULE-7480388602	284.313	IYNLXZXSOJGBGI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-046461
O=C(c1cc2n(n1)CCO2)N1CC(C1)Nc1ccccc1	EMOLS-id_319017487	284.313	TWLNEYYUGXMRTG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-046462
O=C(c1cccc(c1)C(=O)N)NCc1cnc2n1CCC2	EMOLS-id_319890546,MCULE-8811535661	284.313	JZDONKKQXHPYFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046463
O=C(c1n[nH]c2c1CCC2)N1CC(Oc2ccncc2)C1	ZINC22_594178194,MCULE-8444809385,PC-id_138998611,EMOLS-id_320353034	284.313	ZKJCFDURGNRRMG-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-046464
O=C(c1oc2c(n1)CN(C2)Cc1cccnc1)NC1CC1	PC-id_97442816	284.313	ZBFFZMOYHWKMAJ-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-046465
O=C(N1CCCC1c1cccnc1)c1nn2c(c1)OCC2	EMOLS-id_99531453	284.313	ZFJNJYMWTPABRV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046466
O=C(n1nc(NC(=O)c2ccccc2)c2c1CNC2)CC	PC-id_71477413	284.313	MCSBGNXUJNVHRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046467
O=C(NN/C(=C
/C=CC(=O)C=C1)/C)c1n[nH]c2CCCc12	PC-id_5410240	284.313	RHTACJKHHOFYAF-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-046468
O=C(N/N=C/c1ccc(OC)cc1)c1n[nH]c2CCCc12	PC-id_9630720	284.313	ALLSFTOHZUKUHC-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046469
O=C(NN/C(=C
/C(=O)C=CC=C1)/C)c1n[nH]c2CCCc12	PC-id_5392018	284.313	OERQVWDSOIXHFI-MDZDMXLPSA-N	00000010100011000001000010000000000000000000000000000000	25-01-046470
O=C(NN/C(=C/1C(=O)C=CC=C1)/C)c1n[nH]c2CCCc12	PC-id_6537283	284.313	OERQVWDSOIXHFI-KTKRTIGZSA-N	00000010100011000001000010000000000000000000000000000000	25-01-046471
O=C(NNC(=C1C(=O)C=CC=C1)C)c1n[nH]c2CCCc12	PC-id_6738641	284.313	OERQVWDSOIXHFI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-046472
O=C(NNC(=C)c1cc(O)ccc1)c1n[nH]c2CCCc12	PC-id_1602911	284.313	JFRHFSHIZQUUQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046473
O=C(NNC(=C)c1c(O)cccc1)c1n[nH]c2CCCc12	PC-id_4586947	284.313	OGEVDEOEHDLRJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046474
O=C(NN=CC(=Cc1occc1)C)c1n[nH]c2CCCc12	PC-id_3680287	284.313	LPQVWAMUTUSQEO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-046475
N#CCCn1ncc(c1C)C(=O)N1Cc2c(C1)cnn2C	MCULE-1952013037,EMOLS-id_258006842	284.316	HSMJAJIPMVTWEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046476
O=C(NC1CCn2c1ncc2)Nc1nccc(n1)C1CC1	EMOLS-id_319149654	284.316	DBKQFUCCTSABGG-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-046477
Cc1c(c(n[nH]1)N=C(C)N)/C=c
/c(nn2c1nc(n2)C)C	PC-id_137072260	284.32	FSOIPNGREDWZLG-WZUFQYTHSA-N	00000000100000000001000010000000000000000000000000000000	25-01-046478
CC(CCCN(C)C)NC(=O)c1nn2CCOc2c1F	PC-id_91960123	284.33	USUSXUJJSQVRLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046479
CC(C)(CNC(=O)c1nn2CCOc2c1F)CN(C)C	PC-id_91960118	284.33	ZAIJKWAERTUUME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046480
CCN(CC)CCCNC(=O)c1nn2CCOc2c1F	PC-id_91960107	284.33	NVTVHXQYDLLJMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046481
c12CN(Cc1sc(N)c2C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_337652223,MCULE-9921457957	284.331	LHMCFHDCVDARFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046482
c1(NC(=O)NCCO)sc2c(CCC2)c1C(=O)OC	STOCK6S-07671,PC-id_8031153,ZINC22_6662706,MCULE-6097388870,EMOLS-id_4736134	284.331	UYAWVNHDEKHUIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046483
c1(NC(=O)OC(C)(C)C)sc2c(CC(C(=O)O)C2)n1	EMOLS-id_316752170,MCULE-4852598026	284.331	TYNONUMKXQUCHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046484
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N(C)CCO	EMOLS-id_4747410,PC-id_8071355,ZINC22_6759269,STOCK6S-15185,MCULE-7992218554	284.331	AZGXUAZYBIEZLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046485
CC1(c2c(C(=O)O1)nc(s2)NC(=O)OC(C)(C)C)C	PC-id_86618914,SCHEMBL3386297	284.331	FXWNHGKUOGGPDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046486
CC(C)(C)OC(=O)Nc1nc2C(CCc2s1)C(=O)O	PC-id_57907473,SCHEMBL1155891,MCULE-4350890475,EMOLS-id_329931236	284.331	KCDYGQQYGFBDTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046487
CCOC(=O)C1CCc2c1nc(s2)NCC(=O)OC	PC-id_104287572	284.331	QFQQVRNQMKZBIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046488
CCOC(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288309	284.331	IOAGSQJDLGHUIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046489
CCOC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_113395742	284.331	SPSXQRHZRYROJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046490
CCOC(=O)N1Cc2c(C1C)c(c(s2)C(=O)OC)N	PC-id_66748357,SCHEMBL624426	284.331	DCNRTMNOALGORL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046491
CCOC(=O)N1Cc2c(C1)c(c(s2)N)C(=O)OCC	SCHEMBL937821,PC-id_22464559	284.331	IQMMWXZJVYDFIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046492
N#Cc1ccc(c(c1)CNC(c1cc2n(n1)CCC2)C)F	MCULE-7872411212,EMOLS-id_318600769	284.331	ZUKBESRJOLIESD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046493
N#Cc1ccc(cc1F)C(NC1CC(n2c1ncc2)C)C	MCULE-1312155780,EMOLS-id_318723530	284.331	VEEHFXABEIEIRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046494
N#Cc1ccc(cc1F)CNC(c1nn2c(c1)CCC2)C	MCULE-7279814466,EMOLS-id_318741683	284.331	KBOFRAAMSAGRAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046495
OC(=O)C1CCc2c1nc(s2)NCC1COCCO1	PC-id_113395720	284.331	PZQGOSOEKBRJMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046496
S1C(c2n(nc(c2C(=O)OC)C(=O)OC)C1C)(C)C	PC-id_16723368	284.331	NAEOILOYNQXUKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046497
S1(=O)(=O)Cc2c(nn(c2)CCCCOC(=O)C=C)C1	PC-id_10869823	284.331	KHHZUYPSABLWJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046498
S1(=O)(=O)Cc2n(ncc2C1)CCCCOC(=O)C=C	PC-id_10945990	284.331	ZMPFMMYYSHXINU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046499
C1Cc2c(C1)sc(c2C#N)N=Cc1cc(c(cc1)O)O	PC-id_135600787	284.333	RWROTVNBHOPTDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046500
C1Cc2c(C1)sc(c2C#N)/N=C/c1c(cc(cc1)O)O	PC-id_135684461	284.333	ZMVZGZQUYRKMQR-CAOOACKPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046501
C1Cc2c(C1)sc(c2C#N)N=Cc1c(c(ccc1)O)O	PC-id_135749251	284.333	UUKAWXSGVRYPHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046502
c1(ccccc1O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2536907144,PC-id_3930411,EMOLS-id_327799798	284.333	IUQCWJIJJIROAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046503
C(=O)(Nc1sc2CCCc2c1C#N)c1ccc(cc1)O	MCULE-9403083324,EMOLS-id_327788491	284.333	XMQCCDZREGJASF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046504
C(=O)(Nc1sc2CCCc2c1C#N)c1cccc(O)c1	MCULE-7546379028,EMOLS-id_328064134	284.333	KFPWEDBUHMJZNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046505
N#CC1=CCc2c1cn(c2)S(=O)(=O)c1ccc(cc1)C	PC-id_101561826	284.333	IPOBEFWMMRHAEQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-046506
N#Cc1c(NC(=O)/C=Cc2ccco2)sc2c1CCC2	CoCoCo_3268196	284.333	AZMCRTYGXYCBGS-SREVYHEPSA-N	00000010101000000000000010000000000000000000000000000000	25-01-046507
N#Cc1c(NC(=O)/C=C/c2ccco2)sc2c1CCC2	SPECS-id_AF-399/13276010,ZINC22_350460,EMOLS-id_45928458,PC-id_1734884,CoCoCo_3268195	284.333	AZMCRTYGXYCBGS-VOTSOKGWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-046508
O=C(C=Cc1occc1)Nc1c(C#N)c2c(CCC2)s1	EMOLS-id_26069773,MCULE-8921273021,PC-id_1734883	284.333	AZMCRTYGXYCBGS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-046509
s1c2CCCc2c(c1N/C=C
/C(=CC(=O)C=C1)O)C#N	PC-id_6525286	284.333	YGAGJHGEMCVQQA-CMDGGOBGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-046510
s1c2CCCc2c(c1NC=C1C(=CC(=O)C=C1)O)C#N	PC-id_6824218	284.333	YGAGJHGEMCVQQA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-046511
s1c2CCCc2c(c1N/C=C/1C=C(O)C(=O)C=C1)C#N	PC-id_23761606	284.333	HTQPKLWSZQFLIS-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-046512
s1c2CCCc2c(c1NC=C1C=C(O)C(=O)C=C1)C#N	PC-id_74108268	284.333	HTQPKLWSZQFLIS-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-046513
s1c2CCCc2c(c1N/C=C
/C(=O)C(=CC=C1)O)C#N	PC-id_23877845	284.333	JRORRFCXLNOTQH-CMDGGOBGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-046514
s1c2CCCc2c(c1NC=C1C(=O)C(=CC=C1)O)C#N	PC-id_74138159	284.333	JRORRFCXLNOTQH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-046515
s1c2CCCc2c(c1NC(=O)Oc1ccccc1)C#N	PC-id_60629733	284.333	DVPRKIJMUBNDJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046516
O=C1CC(CN1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201212	284.335	WEMWZTHXDVXFBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046517
O=C1NCCN(C1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100227280	284.335	PPEWFJHRCLOKFR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046518
O=C(N1CCCN(S1(=O)=O)C)c1cnn2c1CCC2	EMOLS-id_319566054	284.335	XZTPBTDNNLEZKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046519
O=C(N1CCCN(S1(=O)=O)C)c1nn2c(c1)CCC2	EMOLS-id_319021274	284.335	CCLOEZOWKRIGIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046520
O=C(NC(c1nnc2n1CCC2)C)CSCC(=O)O	PC-id_104569467	284.335	YFLOYPFEIDQCHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046521
OC(=O)CSCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_104569585	284.335	HYRXHEOJWPUAOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046522
c1(cncc(N)c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-9927075039,EMOLS-id_327991596	284.336	IUDMASJBOUMWBH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046523
Cc1c(C(=O)/C=C/c2csnn2)c(C#N)c2n1CCC2	PC-id_75407129,ZINC22_78603733	284.336	ZJKDWVMEBWGFSA-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046524
Cc1cnc(cn1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8875554344,ZINC22_40457573,CoCoCo_3268210,EMOLS-id_29949261,PC-id_45793420	284.336	UTRFDZQFAUSFOZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046525
C(=O)(Nc1sc2CCCc2c1C#N)c1ccnc(N)c1	MCULE-1851816933,EMOLS-id_328016603	284.336	XNCMUHMSKFEEJJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046526
CCc1cccc(c1NC(=O)n1cc2c(c1)CNN2)CC	PC-id_141153506	284.356	QXKHFIHHPZNQSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046611
N#Cc1c2CCCn2c(c1C(=O)C=Cc1csnn1)C	PC-id_72021583,EMOLS-id_49003740,MCULE-3161313131	284.336	ZJKDWVMEBWGFSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046527
N#Cc1c2CCCn2c(c1C(=O)/C=Cc1csnn1)C	PC-id_98361283	284.336	ZJKDWVMEBWGFSA-PLNGDYQASA-N	00000010100000000001000010000000000000000000000000000000	25-01-046528
N#Cc1ccc(cc1)CC(=O)Nc1sc2c(n1)CNC2	PC-id_144742134	284.336	YEUCSKZVGWAXRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046529
N#Cc1c(NC(=O)c2ncccc2N)sc2c1CCC2	PC-id_104742022	284.336	QZFHMAZHFQISKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046530
s1c2CCCc2c(c1NC(=O)c1ncc(N)cc1)C#N	PC-id_81317195	284.336	CBHSUMZPCZVPNH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046531
n12ncnc1sc(=CNc1nnc(S)s1)c2=O	MCULE-3484070435	284.341	DKPMXOCJIIGYAB-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-046532
O=c1/c(=C/Nc2nnc(S)s2)/sc2ncnn12	PC-id_117588282,ZINC22_256055363	284.341	DKPMXOCJIIGYAB-IWQZZHSRSA-N	00000000100000000001000010000000000000000000000000000000	25-01-046533
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)CC)n1	EMOLS-id_330981628,MCULE-1046581361	284.353	MEGXGBARUZRUDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046534
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2C)C)n1	EMOLS-id_330982908,MCULE-7684407216	284.353	ZNJCIHSWFOKLKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046535
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2CC)n1	EMOLS-id_330985972,MCULE-6840552420	284.353	WXWWEILMTFFKOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046536
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)ccc2C)n1	EMOLS-id_330989299,MCULE-9269598993	284.353	AQNOFGMXQAFCHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046537
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(C)c2C)n1	MCULE-2833278554,EMOLS-id_330985716	284.353	KMILDDAZIGZJKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046538
c1(C(=O)O)c2C(C)CCc2n(Cc2c(C)cccc2C)n1	MCULE-3961456013,EMOLS-id_330989555	284.353	ZSCQESFUWDFNGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046539
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(C)c2)C)n1	MCULE-7346791175,EMOLS-id_330985467	284.353	XVDYMOFDOSFFDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046540
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)cc(C)c2)n1	EMOLS-id_330989044,MCULE-9344347642	284.353	GCNCKFNXWBMGQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046541
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(CC)c2)n1	MCULE-7466063748,EMOLS-id_330989300	284.353	NGAPCVAHMPNRDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046542
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)CC	EMOLS-id_330968759,MCULE-4709746381	284.353	YJEWROGMMGFHGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046543
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1CC	MCULE-6661360370,EMOLS-id_330969023	284.353	VMSYHPZICNEMOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046544
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1C)C	MCULE-7640701529,EMOLS-id_330965944	284.353	YGKASKUMBUEKGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046545
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)ccc1C	EMOLS-id_330968255,MCULE-5425178138	284.353	KQTYZTSGJDRDEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046546
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(C)c1)C	EMOLS-id_330968503,MCULE-2545737037	284.353	SXANMONSBMBSQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046547
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(C)c1C	MCULE-9127178536,EMOLS-id_330968767	284.353	SDAJSWGHPFHBBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046548
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(CC)c1	MCULE-1167901630,EMOLS-id_330972336	284.353	QBDPNKNDTWIPOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046549
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)cc(C)c1	MCULE-6372499175,EMOLS-id_330972080	284.353	NLWKZEHMIIZQRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046550
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)C	EMOLS-id_330970033,MCULE-7742009626	284.353	DUIYWURPAUODAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046551
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccccc1C	EMOLS-id_330970549,MCULE-1951952009	284.353	WHSMAFZFBTYDEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046552
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(C)c1	MCULE-2779814089,EMOLS-id_330972851	284.353	OSTIYEKORNGTQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046553
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2C)n1	EMOLS-id_330990074,MCULE-5707462090	284.353	DQLPAVHWKIIYBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046554
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)C)n1	MCULE-5271825200,EMOLS-id_330989810	284.353	YXLJNPUMYOWBDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046555
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(C)c2)n1	MCULE-8488069152,EMOLS-id_330989819	284.353	HUPALUKBQFHAQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046556
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)C	EMOLS-id_330971581,MCULE-4727003399	284.353	QFICHDUECIUEMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046557
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1C	EMOLS-id_330975925,MCULE-9965773676	284.353	WLMIKMUGILXYEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046558
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(C)c1	EMOLS-id_330975670,MCULE-2925987374	284.353	CYDORUHEEUNTOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046559
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2)n1	EMOLS-id_330994680,MCULE-6169037794	284.353	QRTUQMBNDGAOFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046560
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1	MCULE-5613784549,EMOLS-id_330979507	284.353	LZPSTGVRZYOCEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046561
CC1CCc2c1c(O)nn2Cc1cccc(OC2CC2)c1	EMOLS-id_331019759,MCULE-7958230130	284.353	OASDSTKGQCNARL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-046562
CC1CCc2nn(Cc3c(C)cccc3C)c(C(=O)O)c12	EMOLS-id_330968511,MCULE-5769246006	284.353	ZPOPEAHOGMVOGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046563
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(O)c12	MCULE-8330070709,EMOLS-id_331004588	284.353	CZYPWTQULQMZIH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-046564
CCc1c(Cc2[nH]c3c(c2C)CCC3=O)[nH]c(c1C)C=O	SCHEMBL10232138,PC-id_57859848	284.353	OMQQATQOLSPPQY-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-046565
CC(c1ccc(OC(=O)C)cc1)n1cc2C(C)CCc2n1	MCULE-7870446099,EMOLS-id_331001006	284.353	LODXLEFNICNBKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046566
CCc1nc2c(n1Cc1ccccc1)C(CC2)CC(=O)O	PC-id_71228687,SCHEMBL14641618	284.353	LQDVPAUSUZBZFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046567
CCOc1ccccc1Cn1nc2CCC(C)c2c1C=O	MCULE-3303265500,EMOLS-id_330984893	284.353	UTSBJYKEAXEBIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046568
CCOc1ccccc1Cn1nc(C=O)c2C(C)CCc12	MCULE-9066093603,EMOLS-id_331005170	284.353	YSYGYGFOUIODHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046569
CCOc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1	EMOLS-id_330983356,MCULE-7215900749	284.353	GWVZBWFYCJNPDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046570
CCOc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1	EMOLS-id_331003633,MCULE-2926600932	284.353	UDXJGWWHFXDRBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046571
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986420,MCULE-9770815371	284.353	FYGNZQNOAQZSIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046572
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1C=O	MCULE-5963906373,EMOLS-id_330989238	284.353	KVRXVOULYSDISY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046573
COc1ccccc1C(C)n1nc2CCC(C)c2c1C=O	MCULE-9201898340,EMOLS-id_330986168	284.353	IASHXQDMGVWPFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046574
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1C=O	MCULE-3130366711,EMOLS-id_330985149	284.353	ABXNRXZUWANYCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046575
COc1ccc(C)cc1Cn1nc(C=O)c2C(C)CCc12	EMOLS-id_331005426,MCULE-7537303632	284.353	ZSLLZLZAFZANEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046576
COc1ccc(C)c(Cn2nc3CCC(C)c3c2C=O)c1	MCULE-6358105916,EMOLS-id_330986674	284.353	QRFKAOYVIUQCPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046577
COc1ccc(C)c(Cn2nc(C=O)c3C(C)CCc23)c1	MCULE-2474742252,EMOLS-id_331002871	284.353	SCOXUWPUOIZKLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046578
COc1cccc(Cn2nc3CCC(C)c3c2C=O)c1C	MCULE-1949846730,EMOLS-id_330986418	284.353	FRUAPFGVQCMNIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046579
COc1cccc(Cn2nc(C=O)c3C(C)CCc23)c1C	MCULE-4068710354,EMOLS-id_331002615	284.353	CVEJFCFEGQHFFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046580
COc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1C	MCULE-7662336939,EMOLS-id_330984377	284.353	APPSRFPLPXWPDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046581
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1C	EMOLS-id_331000574,MCULE-1667120949	284.353	VFXWCKHZHZMOLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046582
COc1cc(Cn2nc3CCC(C)c3c2C=O)ccc1C	EMOLS-id_330981820,MCULE-5542313983	284.353	AVVLJXNIPBWIKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046583
COc1cc(Cn2nc(C=O)c3C(C)CCc23)ccc1C	EMOLS-id_331002097,MCULE-4998524581	284.353	AALGVOJHURGVIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046584
COCc1ccccc1Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330986930,MCULE-6075822642	284.353	NCPKSSPWJLANPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046585
COCc1ccccc1Cn1nc(C=O)c2C(C)CCc12	MCULE-2770504301,EMOLS-id_331003127	284.353	HLHUXFAUTUYOEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046586
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCO	EMOLS-id_328213367,MCULE-9653071751	284.353	YKGIPMHAXFYMLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046587
OC(=O)C1CCc2n(c(nc12)CCc1ccc(cc1)C)C	PC-id_84011014	284.353	NLQGQBRDZHHFDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046588
s1c2c(CCC2)c(c1NC(=S)NC(=O)C)C(=O)O	PC-id_21148233	284.355	BVDIWIRZDSCCQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046589
c12CN(Cc1nn(C)c2C(=O)NCC)Cc1ccccc1	EMOLS-id_324357730,MCULE-3119310639	284.356	OJXHUWPSHNPUMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046590
c12CN(Cc1nn(CCC)c2C=NO)Cc1ccccc1	EMOLS-id_324355438,MCULE-6921697782	284.356	VDHLPYLSHGBUJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046591
c1(c2CCCc2[nH]n1)C(=O)N(C)C(C)Cc1ccccn1	EMOLS-id_49886253,PC-id_77089944,MCULE-6360817257	284.356	QXZMEXGURUQBNT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046592
c1ccc(cn1)[C@@H]1OCC[C@H]1NCc1cnc2n1CCC2	MCULE-2224638520,EMOLS-id_320301946	284.356	CXJXXDFTAMLINF-ZBFHGGJFSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046593
c1ccc(CN2Cc3[nH]nc(COCC4CC4)c3C2)nc1	ZINC22_96260217,EMOLS-id_44371980,PC-id_97520295	284.356	BWWBOTFHDVYJIC-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-046594
C1C[C@H]([C@@H](O1)c1ccncc1)NCc1cnc2n1CCC2	EMOLS-id_320313137,MCULE-9887619026	284.356	YTDNDTRJOKNROY-ZBFHGGJFSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046595
c1cc(OCc2nnc3n2CCC3)cc(c1)N1CCCC1	EMOLS-id_319553005	284.356	PRUZYJFNRWEBRI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-046596
c1(C(=O)Nc2ccc(cc2)N(C)C)c2CCCc2n(C)n1	PC-id_110389117,EMOLS-id_179745415,MCULE-4348246046	284.356	OIIBSYQERRDDAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046597
c1(C(=O)N(C)Cc2ccc(cn2)CC)c2CCCc2n[nH]1	PC-id_119073687,MCULE-5012268864,ZINC22_426697314,EMOLS-id_82740367	284.356	JDWSPMSLFNBRKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046598
c1(C(=O)N(C)CCc2ccncc2)c2CCCc2n(C)n1	MCULE-1547754821,EMOLS-id_179745127,PC-id_110389021	284.356	MUUAOQQTQNUPID-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046599
c1(C(=O)N(CC)CCc2ccncc2)c2CCCc2[nH]n1	EMOLS-id_180404674,PC-id_110678722,MCULE-2737258225	284.356	OAEPNLWCXNZPBB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046600
C1OCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318078250,MCULE-3448225448	284.356	IPSRRCDMPFSGIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046601
CC1CC(c2n1ncn2)Nc1ccc(cc1)C1COCC1	MCULE-4521734096,EMOLS-id_318717691	284.356	WLPNZPLXKYNCOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-046602
CC1CC(c2n1ncn2)N[C@@H]1CCO[C@H]1c1ccccc1	MCULE-5098503508,EMOLS-id_318559582	284.356	LEMMTGUPKSFILH-CPWXKJDLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-046603
Cc1cc(C)cc(C(=O)NCCc2nnc3n2CCC3)c1	PC-id_53503426,MCULE-2292683794,EMOLS-id_35688772,ZINC22_54562520	284.356	GWMVRZGZTSFJDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046604
Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCn3ccnc23)c1	ZINC22_931527050	284.356	QVTPRHYBVXFYOP-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046605
Cc1ccc(C)c(NC(=O)[C@H](C)N2CCn3ccnc23)c1	ZINC22_931527051	284.356	QVTPRHYBVXFYOP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046606
Cc1ccc(CC(=O)NCCc2nnc3n2CCC3)cc1	ZINC22_54562526,EMOLS-id_35688778,PC-id_53503109,MCULE-4077140813	284.356	QFOWYFMTNIKIMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046607
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)[nH]nc2	PC-id_91173414	284.356	ORAJBVMSNAOHAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046608
CCc1ccc(cc1)CN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318962421	284.356	TUWUMICFTNAKSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046609
CCc1ccc(cc1)C(NC(=O)C1NCc2c1c[nH]n2)C	MCULE-6478291117,EMOLS-id_320048165	284.356	CYPWPGSUBDEUJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046610
CCc1ccc(nc1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319884162,MCULE-7865324556	284.356	DCOORNLPCUMMEF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046612
CC(c1cnn(c1)C1CC1)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320298063,MCULE-5799911135	284.356	ZASHLHIBEYLCIV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-046613
CC(C)c1ccc(NC(=O)N[C@H]2Cc3cncn3C2)cc1	ZINC22_639440330	284.356	OCBHHQIAPREEFD-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046614
CC(C)c1ccc(NC(=O)N[C@@H]2Cc3cncn3C2)cc1	ZINC22_639440331	284.356	OCBHHQIAPREEFD-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046615
CCCCc1ccc(cc1)NC(=O)C1NCc2c1c[nH]n2	MCULE-1944629115,EMOLS-id_319853731	284.356	YLXQVBRVKQOBOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046616
CCC(C(=O)N1Cc2c(C1)cnn2C)Nc1ccccc1	MCULE-7433161389,EMOLS-id_318477497	284.356	NDKMNFSTCVUMSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046617
CCC(=O)N(c1ccc(cc1)NC1CCn2c1ncc2)C	MCULE-8932167592,EMOLS-id_318666402	284.356	GEEDBTAKPDWGJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046618
CC(C(=O)NC(c1nnc2n1CCC2)C)c1ccccc1	EMOLS-id_318815512	284.356	LQMIRTMUVHGWGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046619
C[C@@H](Cc1ccccn1)N(C)C(=O)c1n[nH]c2c1CCC2	ZINC22_215874561,PC-id_99938783	284.356	QXZMEXGURUQBNT-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-046620
C[C@H](Cc1ccccn1)N(C)C(=O)c1n[nH]c2c1CCC2	ZINC22_215874602,PC-id_99938787	284.356	QXZMEXGURUQBNT-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046621
CCN(c1c(nccc1)C)C(=O)c1c2CCCc2nn1C	PC-id_136570490,EMOLS-id_316972030,MCULE-1309576789	284.356	DOPVIJIBXDPCNA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046622
CCNCc1ccccc1NC(=O)c1n[nH]c2c1CCC2	PC-id_119438813,MCULE-2102683430,ZINC22_237116871,EMOLS-id_301570163	284.356	LNROPGODGFIQDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046623
CCN(C(=O)c1c2c(nn1C)CCC2)c1ncccc1C	EMOLS-id_316971775,ZINC22_905067480,MCULE-7296936527	284.356	YNLBBZDUYAIVJO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046624
CCN(C(=O)C1NCc2c1c[nH]n2)Cc1ccccc1C	EMOLS-id_319618801	284.356	SFSMWWOLNRWMDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046625
CC(=O)N(c1ccc(cc1)CNC1CCn2c1ncc2)C	EMOLS-id_318699412,MCULE-7513218542	284.356	SUXNCLNFWVUYJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046626
CC(=O)Nc1ccc(c(c1)NCc1cnc2n1CCC2)C	EMOLS-id_318104655	284.356	XMIWBJBZCQYHGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046627
CC(=O)N(c1ccc(cc1)NCc1cnc2n1CCC2)C	EMOLS-id_318645780,MCULE-5863496161	284.356	UMHCADKEJMUSRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046628
CC(=O)Nc1cccc(CNCc2cnc3n2CCC3)c1	EMOLS-id_324023933,ZINC22_657309236,MCULE-3463567472,PC-id_146107252	284.356	CJDXGZAQYVZNNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046629
Cn1ccc(C(=O)N[C@@H]2CCn3ccnc23)c1C1CCC1	ZINC22_1615625989	284.356	DKERGEDNEWKGDV-CYBMUJFWSA-N	00001010110000000001100010000000000000000000000000000000	25-01-046630
Cn1ccc(C(=O)N[C@H]2CCn3ccnc23)c1C1CCC1	ZINC22_1615625990	284.356	DKERGEDNEWKGDV-ZDUSSCGKSA-N	00001010110000000001100010000000000000000000000000000000	25-01-046631
Cn1ncc2c1CN(C2)C(=O)C(Nc1ccccc1)(C)C	MCULE-1799048993,EMOLS-id_318732109	284.356	ZYNCCZHRVFQOMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046632
CN(Cc1ccc(nc1)NC(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_318916358	284.356	QRLJEWXYLIMLGL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046633
CN(C(=O)c1cccc(c1)NC1CC(n2c1ncc2)C)C	EMOLS-id_318034990,MCULE-1389839899	284.356	TTYJTCCJVTWEAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046634
CN(C(=O)c1ccc(c(c1)NC1CCn2c1ncc2)C)C	MCULE-1248726107,EMOLS-id_318000598	284.356	LJENUQUYERNSLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046635
CN(C(=O)c1cccc(c1)NCc1cnc2n1CCC2)C	EMOLS-id_318194506,MCULE-4922410514	284.356	NTQYTBGSSYIRKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046636
CN(C(=O)c1ccc(cc1)NCc1cnc2n1CCC2)C	MCULE-5792187361,EMOLS-id_318350679	284.356	BUXFUAQAAOQKKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046637
CN(C(=O)c1n(C)nc2c1CCC2)[C@@H](c1cccnc1)C	EMOLS-id_319333562	284.356	GJRWSNZHHWJWTD-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046638
CN(C(=O)c1[nH]c2c(c1)CCC2)CCNc1ccccn1	EMOLS-id_319325804	284.356	OOGVPXKPKUQPFN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-046639
CN(C(=O)c1nn(c2c1CCC2)C)Cc1ccccc1N	PC-id_140039406	284.356	QPGRVGLTPLSSCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046640
COc1ccc(cc1)C1(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318583359,MCULE-8461937821	284.356	HUWIXMOAIAVZJR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046641
COc1cccc(c1)C1(CC1)NC1CC(n2c1ncn2)C	MCULE-2457220718,EMOLS-id_318536685	284.356	XAVSFNJPMHFTEJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046642
O=C(c1ccc(cc1)N(C)C)Nc1n(C)nc2c1CCC2	PC-id_30859118,CoCoCo_5273016	284.356	LLPYVSCDEOPSDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046643
O=C(c1cccc(c1)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_319188737	284.356	SRCRCCWTNLEESM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046644
O=C(c1cccc(n1)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318605775	284.356	HPYNEYXYVZTKEY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046645
O=C(c1ccc(cn1)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319260481	284.356	MESYLQIUAGYPDR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046646
O=C(c1ccc(cn1)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319504792	284.356	MKSUYQCTLQYYRU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046647
O=C(c1ccc(nc1)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319622681	284.356	IGOCCMQCZFCVAP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046648
O=C(c1ccc(nc1)C(C)C)NCc1n[nH]c2c1CCC2	MCULE-4189908730,EMOLS-id_320083343	284.356	YKNLZWYZXGIHNV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046649
O=C(c1ccn(c1C1CCC1)C)NC1CCn2c1ncc2	EMOLS-id_316902759,MCULE-1008404959	284.356	DKERGEDNEWKGDV-UHFFFAOYSA-N	00001010110000000001100010000000000000000000000000000000	25-01-046650
O=C(c1cn2c(n1)CCC2)NCCCc1ccncc1C	EMOLS-id_318998131	284.356	UFLFIAXPWBTDJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046651
O=C(c1cnc2n1CCC2)NCCCc1ccncc1C	EMOLS-id_319209410	284.356	WVOTZXQFIXTJKM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046652
O=C(C1NCc2c1c[nH]n2)NC(c1cccc(c1C)C)C	EMOLS-id_319223370	284.356	WEGOOZWQQZDQMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046653
O=C(C1NCc2c1c[nH]n2)NC(c1cc(C)cc(c1)C)C	EMOLS-id_319248275	284.356	AZXLXHWMJAPZIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046654
O=C(C1NCc2c1c[nH]n2)NCCc1cc(C)cc(c1)C	EMOLS-id_319095509	284.356	GLJPQWKZWXGEPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046655
O=C(C1NCc2c1c[nH]n2)NCCc1c(C)cccc1C	EMOLS-id_319962018,MCULE-1793391089	284.356	MIBXWYVDRVOWFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046656
O=C(c1n(C)nc2c1CCC2)Nc1cccc(c1)N(C)C	EMOLS-id_319029279	284.356	IEALAJBHLHMWIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046657
O=C(c1n(C)nc2c1CCC2)NCCCc1cccnc1	EMOLS-id_319507868	284.356	VAXDMCDHTWETAU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046658
O=C(c1[nH]c2c(c1)CCC2)NC1CC(C1)Cn1ccnc1	MCULE-1219277881,EMOLS-id_319669788	284.356	RHOVKYJNSFOAPD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046659
O=C(c1[nH]c2c(c1)CCC2)NC[C@@H]1C[C@H]1c1ccnn1C	EMOLS-id_319035378	284.356	HRWCIXROWYCXKW-NWDGAFQWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-046660
O=C(c1[nH]c2c(c1)CCC2)NCCn1ccc(n1)C1CC1	EMOLS-id_319558450	284.356	RBXKUBSSGPCYKX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-046661
O=C(c1[nH]c2c(c1)CCC2)N[C@@H]1C[C@H](C1)Cn1ccnc1	EMOLS-id_319669532	284.356	RHOVKYJNSFOAPD-AULYBMBSSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046662
O=C(c1n[nH]c2c1CCC2)NCCCc1ccncc1C	EMOLS-id_319044097	284.356	JMXWWCBHQQLNJP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046663
O=C(Cc1ccccc1C)NC(c1nnc2n1CCC2)C	EMOLS-id_318614798	284.356	OUYOSNVMHHQGJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046664
O=C(C(c1ccccn1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319573997	284.356	MYCGKHUTWSPZMS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046665
O=C(C(c1cccnc1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319764933	284.356	HCJBBJWPQFBEKK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046666
O=C(C(c1cccnc1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319225975	284.356	WRTLVZJMBSODCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046667
O=C(C(C(c1ccccc1)N)(C)C)N1CCn2c1ccn2	EMOLS-id_318331798,MCULE-5592576267	284.356	PFNBHGUONNIRIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046668
O=C(CC(c1ccncc1)C)NCc1cnc2n1CCC2	EMOLS-id_319752814	284.356	OWJSKAFCIOGNCF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046669
O=C(CC(c1ccncc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319621850	284.356	CQLLGLKDHOIFJG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046670
O=C(CCCc1ccccc1)NCc1nnc2n1CCC2	EMOLS-id_36270422,PC-id_53526489,ZINC22_46780054,MCULE-8855662885	284.356	BRXFXEAYLRVTKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046671
O=C(C(C)C)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68441027,SCHEMBL2919668	284.356	LDPYSRONBXNCJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046672
O=C(C(N1CCn2c1ncc2)C)Nc1cc(C)ccc1C	MCULE-7864459051,EMOLS-id_316983199	284.356	QVTPRHYBVXFYOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046673
O=C(CN(c1ccccc1)C)NCc1cnc2n1CCC2	EMOLS-id_320258018,MCULE-9199293460	284.356	CRCKUOFPYFWADW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046674
O=C(N1Cc2c(C1)cnn2C)CCNc1ccccc1C	EMOLS-id_318286388,MCULE-9478138895	284.356	NKVKUXUUAXGKEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046675
O=C(N1Cc2c(C1)cnn2C)CNc1c(C)cccc1C	EMOLS-id_318294099,MCULE-6615837656	284.356	SXYGQLLLHPRBRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046676
O=C(N1CCn2c1ccn2)c1cccc(c1N)C(C)(C)C	MCULE-1551806664,EMOLS-id_320168487	284.356	HJBYQCNCPHBOQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046677
O=C(Nc1cccc(c1C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101389684	284.356	MLNPMUAZFAVLOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046678
O=C(Nc1cc(C)ccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101386129	284.356	JGJDVESSRKJMLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046679
O=C(Nc1c(C)cccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101395558	284.356	JCXATNJBBSHKHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046680
O=C(NC1CC(n2c1ncc2)C)Nc1ccc(cc1C)C	EMOLS-id_101389693	284.356	CSDHESZCCOXNIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046681
O=C(NC1CC(n2c1ncc2)C)Nc1ccc(c(c1)C)C	EMOLS-id_101390695	284.356	WYUWDQIOTSEDQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046682
O=C(NC1CC(n2c1ncc2)C)Nc1cc(C)cc(c1)C	EMOLS-id_101396482	284.356	JEEMVPUYPIBOPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046683
O=C(Nc1n(C)nc2c1CCC2)CC(c1ccccc1)N	EMOLS-id_302164726,PC-id_119952610,MCULE-4567279773	284.356	LECNVRMZKCNCEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046684
O=C(Nc1n(C)nc2c1CCC2)CCc1ccccc1N	MCULE-2785198544,EMOLS-id_302418979,PC-id_120611918	284.356	DZBBKRMNOOKQAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046685
O=C(NCc1cnc2n1CCC2)CCc1cncc(c1)C	EMOLS-id_319423557	284.356	NPUZIENXBVXCNR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046686
O=C(N(Cc1n2CCCc2nn1)C)c1cc(cc(c1)C)C	PC-id_60360987	284.356	HVVNQULRJDBEKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046687
O=C(NC(c1nnc2n1CCC2)C)Cc1cccc(c1)C	EMOLS-id_318453960	284.356	LGIQQAQVMLVEJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046688
O=C(NC(c1nnc2n1CCC2)C)Cc1ccc(cc1)C	EMOLS-id_318711185	284.356	QICXJLCJJUFEPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046689
O=C(NCc1n[nH]c2c1CCC2)CCc1cncc(c1)C	EMOLS-id_319021576	284.356	DEMIFMVZVKNBRH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046690
Cc1cnc(s1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477404	284.358	XMBOFLCDMUZLBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046691
Cc1csc(n1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100397597	284.358	NWWMNDPMQBZZCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046692
Cc1nc(c(s1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_316410124,MCULE-4668749478	284.358	TXTWXNQTGFFLGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046693
Cc1sc2c(n1)CN(C2)S(=O)(=O)c1nc[nH]c1C	EMOLS-id_319354233	284.358	XVVHDOGHJCXUKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046694
NC(=S)CNC(=O)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315221437,PC-id_54963700	284.358	ILDGXZPWJZDZEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046695
O=S(=O)(c1ccns1)NCc1n[nH]c2c1CCC2	EMOLS-id_318992237	284.358	FEKCYVABNKHMEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046696
s1c2CCCc2nc1NS(=O)(=O)c1c([nH]nc1)C	PC-id_54963753	284.358	QBNBETNQBMMKKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046697
s1c2CCCc2nc1NS(=O)(=O)c1[nH]c(nc1)C	PC-id_62998697	284.358	JTGPTSJWERSDRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046698
c1cnc(nc1)N1CCN(CC1)Cc1[nH]nc2c1CCC2	MCULE-9251489850,CoCoCo_1199889,EMOLS-id_23809252,CoCoCo_1199887,CoCoCo_1199888,PC-id_28731047,CoCoCo_1199886	284.359	AYNVZVDJXWRBFA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-046699
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1	PC-id_110954700	284.359	VDHDCAAVCUOPJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046700
N#Cc1cc(c(n1C)C)CNC(c1nnc2n1CCC2)C	PC-id_115592103	284.359	NMCWVIQXMNXXAK-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-046701
C1Cc2cc(nn2C1)CN1CCC(C1)Nc1ncccn1	PC-id_136553517,MCULE-6062504276,EMOLS-id_316871154	284.36	BDFDDIYAKFGLLK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046702
C1CCN(C1)c1nccc(n1)NCc1nn2c(c1)CCC2	EMOLS-id_319132902	284.36	SPHXFLMMQSNBKZ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-046703
c1cnc(N[C@@H]2CCN(Cc3cc4n(n3)CCC4)C2)nc1	ZINC22_1616043539	284.36	BDFDDIYAKFGLLK-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046704
CC1CC(c2n1ncn2)NC1CCN(C1)c1ccccn1	EMOLS-id_316577773	284.36	XLWKPIRXOHFCDX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-046705
Cc1cc(cc(c1)C)NC(=NCc1nnc2n1CCC2)N	PC-id_111039235	284.36	PTGWFWGDLJJOJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046706
CCc1cccc(c1)NC(=NCc1nnc2n1CCC2)N	PC-id_111039255	284.36	YLVROLODWOMCGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046707
CCc1ccc(cc1)NC(=NCc1nnc2n1CCC2)N	PC-id_119117949	284.36	ABOAPMZBKNVYHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046708
n12CCCc1nnc2CNc1nc(C2CCC2)cc(n1)C	PC-id_56865067	284.36	HZQADZFSEBPUQD-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-046709
NC(=NCc1nnc2n1CCC2)Nc1ccc(c(c1)C)C	PC-id_111039241	284.36	LLGIXOGYYSRHRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046710
NC(=NCc1nnc2n1CCC2)NCCc1ccccc1	PC-id_111039233	284.36	WICFLINKRBCOBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046711
O=C(c1sc2c(c1)CCC2)c1ccc(cc1)OC1CC1	PC-id_115812986	284.373	FVTJKQYULFLOHS-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-046712
O=C(c1sc2c(c1)CCC2)c1cccc(c1)OC1CC1	PC-id_115813265	284.373	OWWHIABISBDAKY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-046713
c12CN(Cc1sc(OC)c2CN)C(=O)OC(C)(C)C	MCULE-2959252831,EMOLS-id_331066914	284.374	NGLLXTMEJQTKLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046714
CCOC(=O)C1CCc2c1nc(s2)NCC(OC)C	PC-id_113726896	284.374	SRUGWQVPHZKRLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046715
COCC(Nc1nc2c(s1)CCC2C(=O)OCC)C	PC-id_104287513	284.374	OTAHUYDCVWIKPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046716
CCCC(Nc1nc2c(s1)CCC2C(=O)O)COC	PC-id_104288903	284.375	OFJPBGRCVPHVEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046717
CCCCOCCNc1nc2c(s1)CCC2C(=O)O	PC-id_113395754	284.375	DRWCIVAAQOCGLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046718
CCCOCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_104289203	284.375	FZGPMJBAONIZCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046719
CC(COCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_113520140	284.375	NAUFWTBMBUZSDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046720
CCOCCN(c1nc2c(s1)CCC2C(=O)O)CC	PC-id_104288709	284.375	VEEDKNJKNFYWFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046721
CCOCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_113395641	284.375	KZOIOWOKOIKHQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046722
CC(OCCN(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_113395820	284.375	VQPFUAPUSOBRJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046723
CCOC(CNc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_114944605	284.375	BPXKXWYQCJSLHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046724
COCC(C(C)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288920	284.375	YUYILMYHAFPVGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046725
COCCCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_105944813	284.375	QGMNURBDULTWTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046726
COCCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_113395681	284.375	UPXQOKFOSYZHOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046727
COCC(N(c1nc2c(s1)CCC2C(=O)O)CC)C	PC-id_104288113	284.375	QPUCFLSIQKVDKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046728
COCCN(c1nc2c(s1)CCC2C(=O)OCC)C	PC-id_104288446	284.375	FPSFVSPAOUOTCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046729
COCCN(c1nc2c(s1)CCC2C(=O)O)C(C)C	PC-id_113395828	284.375	HORTUUPLVBSJNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046730
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)n1	MCULE-2395193375	284.376	ABAMXEUMKRVGGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046731
Cc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_181475099,PC-id_47119143	284.376	ABAMXEUMKRVGGE-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046732
CC1C(Sc2ncc(n12)C=O)(C)C=Cc1ccccc1	PC-id_88128540,SCHEMBL7327635	284.376	QMUUULMWMJENPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046733
CN(Cc1c[nH]c2c1S/C(=C/c1ccccc1)/C2=O)C	CoCoCo_5494662	284.376	BEUQSHHFORBOIR-MDWZMJQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-046734
CN(Cc1c[nH]c2c1S/C(=Cc1ccccc1)/C2=O)C	PC-id_6049009,CoCoCo_5494661,NSC157821	284.376	BEUQSHHFORBOIR-JYRVWZFOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046735
s1c2CCCc2cc1CNc1c(ccc(OC)c1)C#N	PC-id_81303254	284.376	UDDKRFBGBSBXNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046736
s1c2CCCc2cc1C(=O)NN=C(c1ccccc1)C	PC-id_85015480	284.376	VJMBXKNQXNWZNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046737
s1c2CCCc2cc1C(=O)NN=Cc1ccc(cc1)C	PC-id_85015546	284.376	RLMBWQPTYFKIEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046738
s1c2CCCc2cc1C(=O)NN=Cc1cc(ccc1)C	PC-id_85015553	284.376	UDWPPXPHDUENSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046739
s1c2CCCc2cc1C(=O)N/N=C(c1ccccc1)/C	PC-id_9462450	284.376	VJMBXKNQXNWZNA-BOPFTXTBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046740
s1c2CCCc2nc1NC(=O)C(=Cc1ccccc1)C	PC-id_4092824	284.376	RDIFOLFVAYYMGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046741
s1c2CCCc2nc1NC(=O)/C(=C/c1ccccc1)/C	PC-id_6008014	284.376	RDIFOLFVAYYMGS-ZHACJKMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046742
S1c2c(CN(C)C)c[nH]c2C(=O)C1=Cc1ccccc1	PC-id_292175	284.376	BEUQSHHFORBOIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046743
S1(C(=C(n2c1ncc2)C)C)(CO)C#Cc1ccccc1	PC-id_57162410	284.376	IOFWKPBZIFGGIP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-046744
S=C1N(C(c2n1ccc2)CC(=O)c1ccccc1)CC	PC-id_10755496	284.376	UUPVZFPSGOTSSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046745
c12SCCn1cc(CNCC1(COCCNC1)O)n2	EMOLS-id_43602265,MCULE-7505180508,PC-id_70782230	284.378	QHOYMNHYYIFIQM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-046746
CC1CC(c2n1ccn2)NS(=O)(=O)N1CCCCC1	EMOLS-id_101320484	284.378	PILICYBCJXXERZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046747
CC1CC(c2n1ncn2)NCCS(=O)(=O)CC1CC1	EMOLS-id_320007649,MCULE-3385027401	284.378	GBGZAGXVWFYZLP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046748
CC1CCN(C1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319021239	284.378	GDJJAODQLGPRJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046749
CC1CCNCC1NS(=O)(=O)c1cnc2n1CCC2	MCULE-1606680763,EMOLS-id_302888341,PC-id_120876351	284.378	DYJBQGALDDSLQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046750
CC1CNCCC1NS(=O)(=O)c1cnc2n1CCC2	PC-id_120876523	284.378	ZDDHQJDSFYRCSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046751
CC1NCCC(C1)NS(=O)(=O)c1cnc2n1CCC2	MCULE-3006833846,EMOLS-id_302858918,PC-id_120875789	284.378	LPWUPSWZSDMESG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046752
CC1NCCCC1NS(=O)(=O)c1cnc2n1CCC2	PC-id_120876617,MCULE-1486566461,EMOLS-id_302903215	284.378	JFKYRTVDUQRKPL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046753
CC1NC(C)CN(C1)S(=O)(=O)c1cnc2n1CCC2	PC-id_121701688,MCULE-3718953797,EMOLS-id_302998924	284.378	DLMZSJJDBWIFCF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046754
CC1NCCN(C1C)S(=O)(=O)c1cnc2n1CCC2	PC-id_120876569,MCULE-8502881775,EMOLS-id_302900904	284.378	CUZGSWPTFCYKGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046755
CC1NCC(N(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_303021960,MCULE-5732551272,PC-id_121704068	284.378	NLUBDOCRHQBMQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046756
CC(C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)N	EMOLS-id_302979206,PC-id_121705224,MCULE-9924261445	284.378	ZVLWTDXUTJJMDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046757
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1CCC1	EMOLS-id_98694665	284.378	FDVNVPKXJCXTLB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-046758
CC(c1nnc2n1CCC2)NS(=O)(=O)CCC1CC1	MCULE-1131635930,EMOLS-id_98650065	284.378	JFTCUYHVXWNVSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046759
C[C@H]1C[C@]1(C)S(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_319609932	284.378	YYPXPLBUQDGVKW-OYGLUPDLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046760
C[C@@H]1NCCC[C@@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102030947	284.378	JFKYRTVDUQRKPL-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046761
C[C@H](NS(=O)(=O)CCC1CC1)c1nnc2n1CCC2	ZINC22_92308463	284.378	JFTCUYHVXWNVSM-VIFPVBQESA-N	00100010100000000001000010000000000000000000000000000000	25-01-046762
C[C@@H](NS(=O)(=O)CCC1CC1)c1nnc2n1CCC2	ZINC22_92308464	284.378	JFTCUYHVXWNVSM-SECBINFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046763
CCN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100192659	284.378	ICPXIDJIGWBMAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046764
Cn1c(c2CCCc2n1)CNS(=O)(=O)N1CCCC1	PC-id_91819430	284.378	AFQQPMPJLPVCDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046765
CN1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173983	284.378	ZYEGZSVVUGYSDN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046766
CN1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199076	284.378	AURNWUIMCQWOMJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-046767
CNC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302885516,MCULE-9764194146,PC-id_120875924	284.378	LWSAWZZOUDUCPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046768
CN(C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100229806	284.378	SZKYJFOWUMQKKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046769
CNCC1CCCN1S(=O)(=O)c1cnc2n1CCC2	PC-id_120875477,MCULE-5026653393,EMOLS-id_302884746	284.378	CZLCXUNJASDENU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046770
CN(S(=O)(=O)c1cnc2n1CCC2)C1CCNCC1	PC-id_120999696,EMOLS-id_302974597,MCULE-2546651278	284.378	XXBQNONUOYPSNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046771
CS(=O)(=O)C1CCc2c1[nH]nc2NC1CCNCC1	PC-id_114698089	284.378	VOGCQZLVPZFWPN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046772
NC1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302975111,MCULE-9861958612,PC-id_121700303	284.378	NHLJWSDBVCYGDA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046773
NC1CCCC(C1)NS(=O)(=O)c1cnc2n1CCC2	PC-id_121704594	284.378	QPYGGCDDTSWWKT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046774
NC1CCN(CC1C)S(=O)(=O)c1cnc2n1CCC2	MCULE-9052587566,EMOLS-id_302998383,PC-id_121702188	284.378	AQYFPJCXDGKLMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046775
NCC1CCCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302888344,MCULE-3486528256,PC-id_120875263	284.378	OIQPTWRGNQMYRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046776
NCC1(CCCC1)NS(=O)(=O)c1cnc2n1CCC2	MCULE-1235421365,EMOLS-id_302894490,PC-id_120875128	284.378	GZXXTBPWKRTQED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046777
NCC1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302856367,PC-id_120874725,MCULE-5439131932	284.378	WLEADBAKEUZBJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046778
NCC1(C)CCN(C1)S(=O)(=O)c1cnc2n1CCC2	PC-id_120876928,EMOLS-id_302850462,MCULE-1756169609	284.378	XGXQXQCAAKISER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046779
NCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	PC-id_121699999,EMOLS-id_303001475,MCULE-8192276526	284.378	LAGXDZVDHKKUGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046780
NCC1CC(N(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_303001193,PC-id_121704946,MCULE-9157440532	284.378	IKNQRZVWJRVNCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046781
NCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	PC-id_120874508	284.378	MBPHKRBZHOOJMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046782
NCC(C1CC1)(NS(=O)(=O)c1cnc2n1CCC2)C	PC-id_121701911	284.378	XCPVAURPNKVZOG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046783
NS(=O)(=O)[C@H]1CCCN(Cc2n[nH]c3c2CCC3)C1	ZINC22_2325809865	284.378	VVMFWTSKJVFOQP-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-046784
O[C@@]1(CNCc2cn3c(n2)SCC3)CNCCOC1	ZINC22_77535417	284.378	QHOYMNHYYIFIQM-GFCCVEGCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-046785
O[C@]1(CNCc2cn3c(n2)SCC3)CNCCOC1	ZINC22_77535421	284.378	QHOYMNHYYIFIQM-LBPRGKRZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-046786
O=S(=O)(c1cnc2n1CCC2)NCC1CCCNC1	PC-id_120874682,MCULE-7345927685,EMOLS-id_302889619	284.378	GSALMDGRKXDOKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046787
O=S(=O)(c1cnc2n1CCC2)NCCC1CNCC1	PC-id_121701199,MCULE-1377615910,EMOLS-id_302975097	284.378	KQWKQTFZKXZEJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046788
O=S(=O)(c1cnc2n1CCC2)NCC[C@H]1CCCN1	PC-id_120876399	284.378	YEWOTABSIWQLQR-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046789
S1(=O)(=O)CCC(NC(c2n3CCCc3nn2)C)CC1	PC-id_43748196	284.378	NIVLGUOAIYWTAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046790
S1(=O)(=O)CC(NC(c2n3CCCc3nn2)C)CCC1	PC-id_63924790	284.378	NFIFIUTXXINQMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046791
N#Cc1ccc(c(c1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_318643702,MCULE-1503248061	284.379	YJZRGLXMPAFVIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046792
N#Cc1ccc(c(n1)NCCc1sc2c(n1)CCC2)C	EMOLS-id_318506054,MCULE-2052120568	284.379	FFYJFLYTJLBPCI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046793
N#Cc1c(C)cc(nc1NCc1sc2c(n1)CCC2)C	EMOLS-id_318716782,MCULE-2930733099	284.379	HQKWRYKCKPUDGO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046794
N#Cc1c(C)ccnc1NCCc1sc2c(n1)CCC2	MCULE-4371140282,EMOLS-id_318504611	284.379	ATYQDCYIRMTLHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046795
N#Cc1ccc(nc1C)NCCc1sc2c(n1)CCC2	EMOLS-id_318543251,MCULE-9243944694	284.379	RYZONKUEARRLES-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046796
N#Cc1ccc(nc1NCCc1sc2c(n1)CCC2)C	MCULE-7559232979,EMOLS-id_318548664	284.379	HAYAGNHXFRHIRM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046797
N#Cc1cc(NCCc2sc3c(n2)CCC3)cc(n1)C	EMOLS-id_318717960,MCULE-5539599429	284.379	IUFBVNQGBOAMPF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046798
N#Cc1cnc(cc1C)NCCc1sc2c(n1)CCC2	EMOLS-id_318661916,MCULE-1876753068	284.379	OTAHWYIACHZMPR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046799
N#Cc1cnc(cc1NCCc1sc2c(n1)CCC2)C	MCULE-2075679227,EMOLS-id_318589906	284.379	WWFNYHPWZDKEFF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046800
N#Cc1nc(C)ccc1NCCc1sc2c(n1)CCC2	EMOLS-id_318588872,MCULE-2094623900	284.379	MYEYGCBNDSNHRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046801
N#Cc1nc(NCCc2sc3c(n2)CCC3)cc(c1)C	EMOLS-id_318430405,MCULE-1297037399	284.379	PRUUHXWSWLVARV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046802
s1c2CCCc2cc1CNc1nnc(c(c1C#N)C)C	PC-id_78978344	284.379	CKPJXHYJZJBOMJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-046803
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)C(C)(C)C	EMOLS-id_331018477,MCULE-1229597701	284.396	MSHNPTOKIYKMMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046804
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)CC(C)C	EMOLS-id_331022316,MCULE-3434730725	284.396	UUQCPEOEHIWVEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046805
CC1CCc2c1c(CO)nn2Cc1c(C)cc(C)cc1C	EMOLS-id_331007229,MCULE-1257744721	284.396	DOGXAPYIURQWGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046806
CC1CCc2c1c(CO)nn2Cc1cc(C)c(C)cc1C	MCULE-6070302970,EMOLS-id_331006973	284.396	LUMJBECPLBUYDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046807
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(O)c12	MCULE-1561255327,EMOLS-id_331003306	284.396	BVTHVQXPQWEJOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046808
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(CO)c12	EMOLS-id_330990008,MCULE-9066822581	284.396	UQNVUONNJXRPOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046809
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(CO)c12	MCULE-9379017185,EMOLS-id_330989752	284.396	HHXISWQDQJSLHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046810
CCc1ccccc1C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330991037,MCULE-8908209178	284.396	NJGXOWIMKZRAOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046811
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1CO	MCULE-3532359783,EMOLS-id_330993595	284.396	KSZWNHCHXVQILK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046812
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CO	MCULE-7476331692,EMOLS-id_330990777	284.396	PNAVVLQEKOPEGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046813
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1CO	EMOLS-id_330991033,MCULE-6860783214	284.396	CIQYQTUNOHIGIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046814
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1CO	EMOLS-id_330991293,MCULE-3105946467	284.396	ZOIWLDPWECLERN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046815
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1CO	EMOLS-id_330993339,MCULE-2403818978	284.396	NXLPQISYOHIJRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046816
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1CO	MCULE-2831244749,EMOLS-id_330990524	284.396	OQHKUCLDYFTKNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046817
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1O	MCULE-7565627006,EMOLS-id_331009699	284.396	HBRLNOBCBGURPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046818
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1O	MCULE-7900146029,EMOLS-id_331009443	284.396	DTMZGIOEHPSXQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046819
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1CO	EMOLS-id_330990268,MCULE-2262202066	284.396	KCLSQKHUKMRJCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046820
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1CO	MCULE-4663589862,EMOLS-id_330990521	284.396	SIVCFZYNKMRAAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046821
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1O	MCULE-1286259526,EMOLS-id_331009955	284.396	LGXPGVHMLHVREY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046822
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1O	MCULE-5419368136,EMOLS-id_331007142	284.396	JJQMRNIPGLOGLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046823
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1O	MCULE-5550956396,EMOLS-id_331006116	284.396	YLDYTQVEBWTUQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046824
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1CO	EMOLS-id_330990264,MCULE-9452852684	284.396	XMJHMQULLKJHPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046825
CC(C)c1ccccc1Cn1nc(CO)c2C(C)CCc12	EMOLS-id_331007485,MCULE-4180364109	284.396	QONMITXFXOQHRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046826
CC(C)c1cccc(Cn2nc3CCC(C)c3c2CO)c1	MCULE-4757519124,EMOLS-id_330993080	284.396	XDDCCCZYLPNBHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046827
CC(C)c1cccc(Cn2nc(CO)c3C(C)CCc23)c1	MCULE-8840921098,EMOLS-id_331006206	284.396	YDUNRXFFXOMFIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046828
CCCc1ccc(Cn2nc3CCC(C)c3c2CO)cc1	EMOLS-id_330989247,MCULE-7397969299	284.396	AKORTABGFDCRPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046829
CC(C)c1ccc(Cn2nc3CCC(C)c3c2CO)cc1	MCULE-9096227228,EMOLS-id_330989503	284.396	ATGXBSRGFAVQKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046830
CCCc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1	EMOLS-id_331006453,MCULE-9213225860	284.396	MRWJLFNQVKWLDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046831
CC(C)c1ccc(Cn2nc(CO)c3C(C)CCc23)cc1	MCULE-5222955837,EMOLS-id_331006709	284.396	ORNMLGIKBQKEHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046832
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2O)cc1	EMOLS-id_331003050,MCULE-1733468589	284.396	NXOHSHZXRGWPCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046833
CCCOc1ccc(cc1)C(C)n1cc2C(C)CCc2n1	MCULE-1428676003,EMOLS-id_331001774	284.396	ORKVBOMVSMXSQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046834
CC(C)Oc1ccc(cc1)C(C)n1cc2C(C)CCc2n1	MCULE-6536280881,EMOLS-id_331001262	284.396	OPEWHSMKUVGNNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046835
COc1cc(C)c(C)cc1C(C)n1cc2C(C)CCc2n1	MCULE-6886119402,EMOLS-id_331004578	284.396	ININOPINKWLQNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046836
c1(NC(=S)NC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_32252921,PC-id_3076843,ZINC22_7623423,MCULE-2983614271	284.398	HLHCVZXBYNAVNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046837
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)CCCC	EMOLS-id_322628933,CoCoCo_6400681,MCULE-5590202354	284.398	IZPBTXDLJOXENK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046838
CSC1(CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105830028	284.398	GCKZYGYZAKUGCP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-046839
CSCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8289868,PC-id_60001334	284.398	YIHMBVXNJGVZED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046840
OC(=O)C1CCc2c1nc(s2)NC1CCCSC1	PC-id_116312896	284.398	FLHJIHDCUKDTPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046841
OC(=O)C1CCc2c1nc(s2)NC1CCSCC1	PC-id_116312914	284.398	MORAPNSPUVNKIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046842
OC(=O)C1CCc2c1nc(s2)N(C1CSCC1)C	PC-id_104287840	284.398	KIFTZROLOAHALP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046843
OC(=O)C1CCc2c1nc(s2)NCC1CCCS1	PC-id_104289107	284.398	QCHAUXLFMJFZBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046844
OC(=O)C1CCc2c1nc(s2)NCC1CSCC1	PC-id_107298675	284.398	QSUBRTGGQMBSPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046845
s1c2c(CCC2)c(c1NC(=S)NCC)C(=O)OC	PC-id_8748123	284.398	HZMYOURRAKKBHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046846
S(C1CCCC1)CC(=O)Nc1onc2c1CSC2	PC-id_49718996	284.398	BREIYBPJQHLOKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046847
c12CN(Cc1nn(C(C)C)c2CNC)Cc1ccccc1	MCULE-6492157323,EMOLS-id_324353123	284.399	XCDCAOGBQUAQMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046848
c12CN(Cc1nn(C(C)(C)C)c2CN)Cc1ccccc1	EMOLS-id_324351840,MCULE-4440829431	284.399	NPOPQSNPDXBREW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046849
CC1=c2sccc2=N/C/1=Cc1[nH]c2c(c1C)scc2	PC-id_122394653	284.399	HWXSGXYIMZYRJR-QPEQYQDCSA-N	00000010100000000000000110000000000000000000000000000000	25-01-046850
CC1CC(c2n1ccn2)NCc1cnccc1C(C)(C)C	MCULE-2196284761,EMOLS-id_318000399	284.399	GXIQJWKMZSFPQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046851
CC1CC(c2n1ncn2)NCc1ccccc1C(C)(C)C	EMOLS-id_318636873,MCULE-5774335104	284.399	FCIACHLUCNXFGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046852
CC1CC(c2n1ncn2)NC(C(C)(C)C)c1ccccc1	EMOLS-id_318743162,MCULE-9931212865	284.399	JLNSOWQUMCZXOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046853
Cc1ccc(cc1)C(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_318494209,MCULE-8752148465	284.399	WBZNIFIZJLXMOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046854
Cc1cccc(c1)C(CNC1CC(n2c1ncn2)C)(C)C	MCULE-1461686626,EMOLS-id_318765101	284.399	MJXGTKKGJVCJHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046855
Cc1ccccc1C(CNC1CC(n2c1ncn2)C)(C)C	MCULE-7314876459,EMOLS-id_318652647	284.399	BASDCRIBELWCNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046856
Cc1cc(C)c(c(c1)C)CCNC1CC(n2c1ncn2)C	EMOLS-id_318453754,MCULE-5256170068	284.399	WHYYZQRDHNUORG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046857
Cc1cc(C)c(c(c1)C)CNC(c1nnc2n1CCC2)C	EMOLS-id_318302839,PC-id_43748062,MCULE-7945795004	284.399	SNBAAHQPTJSVTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046858
Cc1cc(C)c(cc1CNC(c1nnc2n1CCC2)C)C	MCULE-7498539477,PC-id_43433208,EMOLS-id_318048262	284.399	MCEOYZXDRMLQLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046859
Cc1ccc(nc1)C(CNC1CC(n2c1ncc2)C)(C)C	MCULE-6245446022,EMOLS-id_318081467	284.399	XVBFCDOEZMHIIA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046860
Cc1sc2=C/C(=C/c3[nH]c4c(c3)sc(c4)C)/N=c2c1	PC-id_57773991,SCHEMBL9885755	284.399	UOHNSHYUBPWFRS-WZUFQYTHSA-N	00000010100000000000000110000000000000000000000000000000	25-01-046861
CC(c1ccccc1N(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318153695,MCULE-7515322242	284.399	CQGIQEQIFNRFIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046862
CC(c1cc(C)c(cc1C)C)NCc1nnc2n1CCC2	MCULE-7987641141,EMOLS-id_318580259	284.399	ILNVQQCIWWLUAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046863
CC(c1ccncc1CNCc1cnc2n1CCC2)(C)C	EMOLS-id_318388495,MCULE-7262891501	284.399	VKDOJEWKOQQGHA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046864
CCc1cnccc1C(NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318052517	284.399	GYTNBIRTLFKSRM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046865
CC(C(c1ccccc1)(C)C)NC1CC(n2c1ncn2)C	MCULE-7168908814,EMOLS-id_318677906	284.399	WFFLTQPNKBGAEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046866
CC(C(c1ncccc1C)NC1CC(n2c1ncc2)C)C	EMOLS-id_318203983,MCULE-4587098251	284.399	GCQDMICCRFFYOB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046867
CC(CC(c1ccccn1)NC1CC(n2c1ncc2)C)C	EMOLS-id_318090044	284.399	DQGFXEPUCKLZFJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-046868
CC(C)n1nc(Cn2cccc2)c2c1CN(CC1CC1)C2	ZINC22_96259152,EMOLS-id_44369854,PC-id_97519240	284.399	RATYBXANRINDDK-UHFFFAOYSA-N	00100010110000000001000010000000000000000000000000000000	25-01-046869
CC(CNc1ccc(cc1)Cc1nnc2n1CCC2)(C)C	EMOLS-id_318022746,MCULE-3227412069	284.399	QZWWEDLLQLWXEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046870
CC(C)N(C)c1ccccc1CN[C@H]1CCn2ccnc12	ZINC22_453224260	284.399	PVELDQMWAQZHBX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046871
CC(C)N(C)c1ccccc1CN[C@@H]1CCn2ccnc12	ZINC22_453224261	284.399	PVELDQMWAQZHBX-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046872
CC(N(c1ccccc1CNC1CCn2c1ncc2)C)C	EMOLS-id_316916845,MCULE-6406649296	284.399	PVELDQMWAQZHBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046873
CC(NC1CC(n2c1ncn2)C)Cc1ccc(cc1C)C	EMOLS-id_318564990,MCULE-8549283659	284.399	MXHQLESMIUKTST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046874
CC(NC1CC(n2c1ncn2)C)Cc1cc(C)cc(c1)C	MCULE-3353520257,EMOLS-id_318482368	284.399	KLNFDARTBNQOEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046875
CN(Cc1cc(cc(c1)C)NC1CC(n2c1ncc2)C)C	MCULE-8141703214,EMOLS-id_318288649	284.399	QMMGHUSVGCCRQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046876
CN(C(c1ccccc1)CNCc1cnc2n1CCC2)C	EMOLS-id_317988382	284.399	DMHNBPJDQAVOLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046877
CN(Cc1ccc(c(c1)NC1CC(n2c1ncc2)C)C)C	MCULE-1890199016,EMOLS-id_318089789	284.399	JZCHCOQWVWBHNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046878
n12CCCc1nnc2C(NC(c1c(ccc(c1)C)C)C)C	PC-id_43748057	284.399	URMVYKIKGROWOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046879
n12CCCc1nnc2C(NC(c1cc(c(cc1)C)C)C)C	PC-id_43748109	284.399	TXWXINVLBPNQHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046880
n12CCCc1nnc2C(NC(c1ccc(cc1)CC)C)C	PC-id_43748123	284.399	XGCZHPQVDFLZMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046881
n12CCCc1nnc2C(NC(c1c(cc(cc1)C)C)C)C	PC-id_43748146	284.399	WUPWNQRSULAICO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046882
n12CCCc1nnc2C(NC(c1cc(cc(c1)C)C)C)C	PC-id_81863121	284.399	BQCPGOKSPXELNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046883
n12CCCc1nnc2C(NCc1ccc(C(C)C)cc1)C	PC-id_43433223	284.399	OTBLHGNOXDENMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046884
n12CCCc1nnc2C(NC(Cc1ccccc1)CC)C	PC-id_79008650	284.399	HEKIEHDXWWLADK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046885
n12CCCc1nnc2C(NC(CCc1ccccc1)C)C	PC-id_43748143	284.399	QMABDEKKGATJRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046886
n12CCCc1nnc2C(NC(CC)c1ccc(cc1)C)C	PC-id_43748166	284.399	AIDUMKXXTDFVCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046887
n12CCCc1nnc2C(NCCC(c1ccccc1)C)C	PC-id_61694936	284.399	IFOWZTSEAMTIGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046888
n12CCCc1nnc2C(NC(CCC)c1ccccc1)C	PC-id_43748053	284.399	BGNFBOXPQIFENS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046889
n12CCCc1nnc2C(NC(C(C)C)c1ccccc1)C	PC-id_43791516	284.399	FUFPQJIMKYECDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046890
N#CC(=C1C(=C(c2c1cc(s2)C)S)C=C(C)C)C#N	SCHEMBL16704315,PC-id_118065621	284.399	RWLDYDBYORWGSG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-046891
s1c2c([nH]c(c2)C=C2N=c3c(=C2)sc(c3)C)cc1C	PC-id_76601916	284.399	UOHNSHYUBPWFRS-UHFFFAOYSA-N	00000010100000000000000110000000000000000000000000000000	25-01-046892
O=C(N1Cc2c(C1)cn[nH]2)CN1CSCCSC1	EMOLS-id_278816293	284.401	GRPFNFADNPHNMO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-046893
CCCCCCCCOCC1(C)Oc2c(O1)csc2	PC-id_141058653	284.414	HZCFZLUZAPJOBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046894
Cc1cc(C)c(c(c1)C)CC(=O)c1sc2c(c1)CCC2	PC-id_114966109	284.416	SQEVBDAIYOCDGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046895
CCc1ccc(cc1CC)C(=O)c1sc2c(c1)CCC2	PC-id_115481834	284.416	SUZHFKZMOOBIAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046896
CC(c1ccc(cc1)CC(=O)c1sc2c(c1)CCC2)C	PC-id_114968404	284.416	RGNJJYCZVWNNGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046897
CC(Cc1cccc(c1)C(=O)c1sc2c(c1)CCC2)C	PC-id_115812433	284.416	UVXUOMZJTVIQDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046898
OC(c1ccccc1C1CCC1)c1sc2c(c1)CCC2	PC-id_115838607	284.416	IWRIOEJQTUYWKD-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-046899
OC(c1sc2c(c1)CCC2)c1ccc(cc1)C1CCC1	PC-id_115836229	284.416	CLKFCQFFHDRNTE-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-046900
OC(c1sc2c(c1)CCC2)c1cccc(c1)C1CCC1	PC-id_115838979	284.416	XIFYHRYZRDCCAE-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-046901
s1c2CCCc2cc1C(=O)c1c(c(cc(c1C)C)C)C	PC-id_43462532	284.416	FGHYUAGVGQYCMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046902
s1c2CCCc2cc1C(=O)c1c(CC)ccc(c1)CC	PC-id_64168104	284.416	ZHTJEIWNRCSGMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046903
s1c2CCCc2cc1C(=O)c1ccc(C(C)(C)C)cc1	PC-id_43462681	284.416	WEJGROXZAHIRLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046904
s1c2CCCc2cc1C(=O)c1ccc(C(CC)C)cc1	PC-id_43462694	284.416	SNAPCNAFEIGTMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046905
s1c2CCCc2cc1C(=O)c1ccc(CCCC)cc1	PC-id_43462709	284.416	DLRKBAHXFHULOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046906
s1c2CCCc2cc1C(=O)c1ccc(CC(C)C)cc1	PC-id_43462799	284.416	NSEGIDMZDKLTAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046907
CCOCC(c1sc2c(n1)CCC2)(NCCOC)C	PC-id_116247871	284.418	FAFDTENXOLVLMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046908
COCCNC(c1sc2c(n1)CCC2)C(COC)C	PC-id_116502447	284.418	PHPLMVKCGDTOHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046909
COCCNC(c1sc2c(n1)CCC2)(C(OC)C)C	PC-id_116161232	284.418	QYRKZKFRSNBMOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046910
s1c(nc2c1CCC2)C(NCCOC)(CC)COC	PC-id_64396857	284.418	QZEGDFFPZJXTBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046911
s1c(nc2c1CCC2)C(NCCOC)(CCOC)C	PC-id_55084593	284.418	CSVITEFGQMQRBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046912
c1ccc(cc1)C1CC(C1)NCc1sc2c(n1)CCC2	MCULE-2213532072,EMOLS-id_318053756	284.419	FUCBZCDRTLFLIT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-046913
c1ccc(cc1)[C@@H]1C[C@H](C1)NCc1sc2c(n1)CCC2	EMOLS-id_320050163,MCULE-7308394804	284.419	FUCBZCDRTLFLIT-HDJSIYSDSA-N	00001010100000110001100010000000000000000000000000000000	25-01-046914
Cc1ccccc1C1(NCc2sc3c(n2)CCC3)CC1	EMOLS-id_318026003,MCULE-4500189018	284.419	VXZLNHOPRLJVPQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046915
NNC(C1CC1c1ccccc1)c1sc2c(c1)CCC2	PC-id_105341489	284.419	YHHHKLPGRQOMOK-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-046916
NNC(c1sc2c(c1)CCC2)CC1Cc2c1cccc2	PC-id_105319326	284.419	WDUWVFSDMIRSQF-UHFFFAOYSA-N	00001010100000100000001010000000000000000000000000000000	25-01-046917
s1c2CCCc2nc1C(NC)c1cc(C2CC2)ccc1	PC-id_79971497	284.419	IRYCONGRGPRTIT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046918
s1c2CCCc2nc1C(NC)c1ccc(C2CC2)cc1	PC-id_79971498	284.419	NQLZQCQPGQFZNM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046919
s1c(nc2c1CCC2)C(NC1CC1)c1c(cccc1)C	PC-id_61334689	284.419	ZMFCYZSZXURGRA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-046920
s1c(nc2c1CCC2)C(NC1CC1)c1ccc(cc1)C	PC-id_61334887	284.419	KMHXETLPUXYKHJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-046921
s1c(nc2c1CCC2)C(NC1CC1)c1cc(ccc1)C	PC-id_61336051	284.419	CLNXHPRZCNZJIZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-046922
s1c(nc2c1CCC2)C(NC1CC1)Cc1ccccc1	PC-id_61333900	284.419	JEYGDSHFJMGGTI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-046923
s1c(nc2c1CCC2)C(NC)c1c(C2CC2)cccc1	PC-id_79971055	284.419	GPRDXLXPWZRLAF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-046924
CC(c1cc2c(s1)c(=C)c(=C)s2)Cc1ccccc1	PC-id_144298012	284.439	KMDYAAJDZRXSKF-UHFFFAOYSA-N	00000000100000110000000010000000000000000000000000000000	25-01-046925
CC(c1sc2c(n1)CCC2)NCC1(O)CCSC1	PC-id_109908799	284.441	YQDQDYXYZNZMDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046926
CCN(CCNC(=O)c1sc2c(c1)CSC2)CC	ChEMBL-DNDi_CHEMBLC574-0074,PC-id_122175623	284.441	QOVQKUYDYJPYIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046927
CSCC[C@@H](C(=O)NCc1sc2c(c1)CCC2)N	EMOLS-id_314099398,PC-id_61208956	284.441	AFCTUWGVBSJFNN-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-046928
CSCC[C@H](C(=O)NCc1sc2c(c1)CCC2)N	PC-id_104908068	284.441	AFCTUWGVBSJFNN-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046929
OC1(CCSCC1)CNCc1sc2c(n1)CCC2	PC-id_109948613	284.441	PIQYBMGJSIONMS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046930
s1c2c(CCC2)cc1CNC(=O)C(N)CCSC	PC-id_76895645	284.441	AFCTUWGVBSJFNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046931
s1c2CCCc2nc1NC(=O)[C@@H](SCCCC)C	PC-id_52712476	284.441	KQIQIHSKWBTRRJ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-046932
s1c2CCCc2nc1NC(=O)[C@H](SCCCC)C	PC-id_52712477	284.441	KQIQIHSKWBTRRJ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046933
s1c2CCCc2nc1NC(=O)C(SCCCC)C	PC-id_75906672	284.441	KQIQIHSKWBTRRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046934
s1nc2n(CCC2)/c/1=N/C(=S)N(C(C)C)C(C)C	PC-id_10731807	284.444	PZGXQQHVJVKVAW-SEYXRHQNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046935
s1nc2n(CCC2)c1=NC(=S)N(C(C)C)C(C)C	PC-id_85248719	284.444	PZGXQQHVJVKVAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046936
CSC(=C(C(=O)C1CCc2c1ccs2)C)SC	PC-id_102374943	284.461	JTCQPBBYBUJOID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046937
CCCCC(c1cc2c(s1)C(CS2)CO)(CC)C	SCHEMBL19721719	284.48	GVDPHOQXRHISKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046938
OC1CCn2c(Cl)c(I)nc12	PC-id_137412532,SCHEMBL20645943,EMOLS-id_324035279	284.482	RWZPTWBOBGDDDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046939
CCCNC(c1sc2c(n1)CCC2)CCCSC	PC-id_113774005	284.484	DNBXZZGJCGCTBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046940
CCSCCC(c1sc2c(n1)CCC2)NCCC	PC-id_116504472	284.484	ZFMBXBXGROQWPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046941
CCSCCC(c1sc2c(n1)CCC2)NC(C)C	PC-id_116504479	284.484	WKASPCMFDHSVCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046942
CSCCCC(c1sc2c(n1)CCC2)NC(C)C	PC-id_103089604	284.484	WDXGKUYFEVIYDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046943
Cc1cc2NC(Nc3ccc(F)c(Cl)c3)Sn2n1	CK3088428,ChEMBL-DNDi_CHEMBL1328836,CHEMBL1328836,MCULE-2270769106,EMOLS-id_6798042,BindingDB-id_87251	284.74	OBQSKLCHFNSCAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046944
Cc1cc2n(n1)S[C@@H](Nc1ccc(F)c(Cl)c1)N2	GD-id_ZINC13132468,ZINC22_13132468	284.74	OBQSKLCHFNSCAJ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-046945
Cc1cc2n(n1)S[C@H](Nc1ccc(F)c(Cl)c1)N2	ZINC22_13132467	284.74	OBQSKLCHFNSCAJ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-046946
C1CCN(C1)CCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960046	284.742	KPHNLTUXYIBFBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046947
CCn1c(c2CN(C(c2n1)(C)C)C(=O)Cl)NC(=O)C	PC-id_88853456,SCHEMBL11913266	284.742	IQZRXVITGSPDQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046948
CN1CCC(CC1)NC(=O)c1nn2CCOc2c1Cl	PC-id_91959997	284.742	DMHSBNKRCVARQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046949
ClC(c1sc2c(CCC2)c1)c1cc(F)c(F)cc1	PC-id_55200043	284.752	MRBKXBYKDZPMCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046950
ClC(c1sc2c(CCC2)c1)c1c(F)ccc(F)c1	PC-id_55198121	284.752	REJVPGBGQHOHQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046951
ClC(c1sc2c(CCC2)c1)c1c(F)cc(F)cc1	PC-id_63433562	284.752	RROLHJKPDCJXHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-046952
c12CN(Cc1sc(Cl)c2C#N)C(=O)OC(C)(C)C	MCULE-2901662531,EMOLS-id_331063845	284.762	BWXCZPOKQOKDQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046953
Clc1sc2c(C(NC3CCC(=O)NC3=O)CC2)c1	PC-id_81251977	284.762	GLZMEMBUJMJPKX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046954
Clc1sc2c(C(NC3CC(=O)N(C3=O)C)CC2)c1	PC-id_81251535	284.762	VTZOPCHCAALMBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046955
c1(sc2c(CCC2)n1)NC(=O)c1ccc(Cl)s1	EMOLS-id_181477033,PC-id_33039697,MCULE-6884428570	284.785	JFNQVWXZFHCMGU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-046956
CC(C(=O)NC1CC1)NC1CCc2c1cc(s2)Cl	PC-id_104390576	284.805	NXXYWPUYHUFCOS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-046957
ClC1CCC(CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319604998	284.805	PJRMRRVKGDYJNS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046958
Clc1sc2c(C(NC3CCCCNC3=O)CC2)c1	PC-id_81252896	284.805	AVCXCAQEKZNROR-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-046959
Clc1sc2c(C(NC3CCC(=O)N(C3)C)CC2)c1	PC-id_81251975	284.805	ULOOVFHPJDBDFZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046960
Clc1sc2c(C(NCCC(=O)NC3CC3)CC2)c1	PC-id_81251867	284.805	JOSPMLDDQOIZHW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-046961
O=C(C1CC1)NCCNC1CCc2c1cc(s2)Cl	PC-id_113348388	284.805	JJWNEPZBFHOSJC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-046962
O=C(N1CCCC1)CNC1CCc2c1cc(s2)Cl	PC-id_113405922	284.805	UJJMSUYNRGTYRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046963
Clc1ccc(s1)CC(c1sc2c(c1)CCC2)O	PC-id_115785893	284.825	LPEKHASFBZZDAB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046964
OC(c1sc(c(c1)C)Cl)c1sc2c(c1)CCC2	PC-id_113733794	284.825	YWNUSGMDXNKZQW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046965
Cc1cnc(s1)CNC1CCc2c1cc(s2)Cl	PC-id_114127152	284.828	LFBYZWVGHKWWSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046966
ClC1c2[nH]c(NCCc3sccc3)cc2SC1	PC-id_9921897	284.828	HZKDEOTWVGLUGU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046967
Clc1cnc(s1)CNCc1sc2c(c1)CCC2	PC-id_104879010	284.828	OCLAOFCAXJJRPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046968
Clc1sc2c(c1)C(CC2)NC(c1nscc1)C	MCULE-6882302000,EMOLS-id_319929743	284.828	VEICGCNHHQTRTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046969
Clc1sc2CCC(NCc3nc(sc3)C)c2c1	PC-id_81252069	284.828	VCBRSOILAYXPEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046970
Clc1sc2CCC(NCc3scc(n3)C)c2c1	PC-id_81252291	284.828	NFOSIQHHHGASCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046971
Clc1sc2CCC(NCc3sc(nc3)C)c2c1	PC-id_81251964	284.828	XJEXCQBTEYEKEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046972
Clc1sc2c(C(NCc3scnc3C)CC2)c1	PC-id_81251429	284.828	MIHPMVFAAPMUDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046973
Clc1sc2c(C(NCCc3ncsc3)CC2)c1	PC-id_81252809	284.828	YBZADYGDNPWISU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046974
Clc1sc2c(C(NC(C)c3sccn3)CC2)c1	PC-id_81251324	284.828	UGGOLVPAMJCAMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046975
Clc1sc2c(C(NCCc3sccn3)CC2)c1	PC-id_81252808	284.828	YXNDFGDPYODACJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046976
NNC(c1sc2c(c1)CCC2)c1ccc(s1)Cl	PC-id_105328190	284.828	MBWPVLJSPXJSIX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046977
NNC(c1sccc1Cl)c1sc2c(c1)CCC2	PC-id_107362373	284.828	KNLMEQIYLNWQDI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-046978
CC(C1CCSCC1)n1nc2CCC(C)c2c1Cl	MCULE-4896931240,EMOLS-id_330958263	284.848	HMOISDKABFOTID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-046979
CC(N(C1CC1)C)CNC1CCc2c1cc(s2)Cl	PC-id_105772813	284.848	GWRXENNSKVDXHL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-046980
CCN(C1CC1)CCNC1CCc2c1cc(s2)Cl	PC-id_114132379	284.848	NKKQYJVPIZUMNX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-046981
Clc1sc2c(C(NC3CCCN(C3)CC)CC2)c1	PC-id_81252695	284.848	JIWNBOYFRUVCKR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046982
Clc1sc2c(C(NC3CCN(CC3)CC)CC2)c1	PC-id_81252398	284.848	SKKGXWLVCQXZDS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046983
Clc1sc2c(C(NC3CC(N(CC3)C)C)CC2)c1	PC-id_81613344	284.848	COMLQARVYZRYMY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046984
Clc1sc2c(C(NCC3CCCN(C3)C)CC2)c1	PC-id_81252072	284.848	SGGWDUPQUWGTPU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046985
Clc1sc2c(C(NCC3CCN(C3)CC)CC2)c1	PC-id_81252490	284.848	GJOZOKUBMNJGKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046986
Clc1sc2c(C(NCC3CCN(CC3)C)CC2)c1	PC-id_81251854	284.848	WRJFYTGEUDMFQD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046987
Clc1sc2c(C(NCC3N(CCC3)CC)CC2)c1	PC-id_81252471	284.848	TZFKRSVARCUDHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046988
Clc1sc2c(C(NCC3N(CCCC3)C)CC2)c1	PC-id_81252187	284.848	WWRTXXIHSDEDOY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046989
Clc1sc2c(C(NCCCN3CCCC3)CC2)c1	PC-id_81251712	284.848	CPOBIOGCHVBXAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046990
Clc1sc2c(C(NC(CN3CCCC3)C)CC2)c1	PC-id_81252910	284.848	QPMBFJXFPKVVDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046991
Clc1sc2c(C(NCC(N3CCCC3)C)CC2)c1	PC-id_81529363	284.848	LWDRGCMUACVDGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046992
Clc1sc2c(C(NCCN3CCCCC3)CC2)c1	PC-id_81252699	284.848	QOPJSLPYKNRXKS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046993
Clc1sc2c(C(NN3C(CCCC3C)C)CC2)c1	PC-id_83007514	284.848	VDVOQRIYRBCQNE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046994
CN1CCC(C(C1)C)NC1CCc2c1cc(s2)Cl	PC-id_114503305	284.848	YXBNAHFWZMOBGC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-046995
CN(C1(CCC1)CNC1CCc2c1cc(s2)Cl)C	PC-id_105415223	284.848	VPVCWGXVZPRFJM-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-046996
COC(=O)C1=C2CCCN2C(=C1Cl)C(=O)C(=O)OC	PC-id_152892790,MCULE-7269819280,EMOLS-id_336520316	285.04	UDTOFDYDLSRRGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-046997
C1C2=CN(N=C2CN1)S(=O)(=O)C3=CN(N=C3)CCF	PC-id_164931978	285.07	DXDOWTIABKKGKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046998
CC1=C(C=NN1CC(F)F)SN2C=C3CNCC3=N2	PC-id_164872234	285.086	QEAJUAZAKRRXLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-046999
CC1=CN(N=C1SN2C=C3CNCC3=N2)CC(F)F	PC-id_164872178	285.086	FEIPYSSERNQYDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047000
Brc1nc2n(c1S(=O)(=O)O)CCS2	SCHEMBL3869334,PC-id_87587816	285.139	UBCPJLXPPBDCQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047001
BrC1(Sc2n(N1)ccn2)S(=O)(=O)N	PC-id_87361520,SCHEMBL2255915	285.142	WMLFBYOCNPFETO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047002
c1cn2c(n1)SC(N2S(=O)(=O)N)Br	PC-id_91120986	285.142	BWVUDJPTDMMQTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047003
CC1=CC=CC=C1CN2CCN3C2=C(C(=N3)C)C(=O)OC	PC-id_160355375	285.148	ODLDJGSACDSTSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047004
CC(C1=CC=CC=C1)C(C)(C(=O)N2CC3=C(C2)NN=C3)O	PC-id_154745650,EMOLS-id_317313488,MCULE-9526175705	285.148	YQOLLKRAVCEHMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047005
CNC(=O)C1CCC2=C(N=CN12)CC3=CC=C(C=C3)OC	PC-id_154387850	285.148	GUCXPINXSKTNRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047006
BrCC(=O)Nc1c(C#N)c2CCCc2s1	PC-id_60657276,EMOLS-id_37237849,MCULE-9693407124	285.16	MZLGXOSGIZXLAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047007
NN[BH-](n1nc(c2c1CCC2)C)n1nc(c2c1CCC2)C	PC-id_101024311	285.176	LONOQAMIXNLSEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047008
Brc1c2COCc2nn1CC1CCCCC1	MCULE-8192839021,EMOLS-id_324399700	285.18	ALWWSXBDXICTEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047009
Clc1ccc(c(c1)Nc1sc2c(n1)CCC2)Cl	PC-id_794803,CoCoCo_110185	285.192	PGHAOAVWGCSSMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047010
Clc1cc(Nc2sc3CCCc3n2)ccc1Cl	PC-id_794804	285.192	LVULOEMVNRJLSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047011
Clc1n(nc2c1CSC2)Cc1ccc(Cl)cc1	PC-id_83192770	285.192	RCHBXOCGGSABOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047012
Clc1n(nc2c1CSC2)Cc1cc(Cl)ccc1	PC-id_83192771	285.192	KXUNAKYETNYNGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047013
Clc1n(nc2c1CSC2)Cc1c(Cl)cccc1	PC-id_83192878	285.192	ZKWVEOUJBGISQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047014
Clc1sc2CCC(Nc3ccc(Cl)nc3)c2c1	PC-id_81871706	285.192	IXQITCAFSAJTLO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047015
Clc1sc2CCC(Nc3cc(Cl)ncc3)c2c1	PC-id_81870193	285.192	HJXCAEDTBBARLH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047016
Clc1sc2CCC(Nc3cccnc3Cl)c2c1	PC-id_81251723	285.192	UKDIBHYXTFOYHD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047017
Clc1sc2CCC(Nc3c(Cl)ccnc3)c2c1	PC-id_83166994	285.192	CJSFFMGEYUAQPY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047018
Clc1sc2CCC(Nc3nc(Cl)ccc3)c2c1	PC-id_81872718	285.192	LRMSEDRPZABDQS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047019
Clc1c2CCCc2sc1CCS(=O)(=O)Cl	PC-id_84813371	285.211	UQEBUHAJDTZAEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047020
CC1CCC2=C1C(=NN2CC(=C)C)C(=C)N3CCCCC3	PC-id_153600090	285.22	UFACNQKVNKAPMK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047021
O=C(c1occ2c1CCC2)Nc1c[nH]nc1C(F)(F)F	EMOLS-id_319761973	285.222	SDANMADRPNEJMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047022
c12CCC(C)c1c(nn2C(CC)CC)CBr	EMOLS-id_331033101,MCULE-7876557301	285.223	OBBWQZBSSRUATP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047023
c12C(C)CCc1n(nc2Br)CC(CC)CC	MCULE-2116327618,EMOLS-id_330971640	285.223	JKDRFKCVMHMTHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047024
c12C(C)CCc1n(nc2Br)CCC(C)(C)C	MCULE-5754149519,EMOLS-id_330970616	285.223	IQWFZVJJUNDWCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047025
c12C(C)CCc1nn(CCC(C)(C)C)c2Br	EMOLS-id_331019434,MCULE-7043672674	285.223	MWQQVPSVELNCBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047026
c1(CBr)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_331017148,MCULE-4374097702	285.223	JKSKDMYNYUIJNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047027
CC1CCc2c1c(CBr)nn2CC(C)(C)C	MCULE-9411148857,EMOLS-id_331032589	285.223	KRDHTBIIYMJJSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047028
CC1CCc2nn(CC(C)(C)C)c(CBr)c12	MCULE-7058468805,EMOLS-id_331016892	285.223	UZJGTZGYSYKQEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047029
CCC(CC)Cn1nc2CCC(C)c2c1Br	MCULE-5762688719,EMOLS-id_331020458	285.223	GXXNAUUYEOCCGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047030
CC(C)CCn1nc2CCC(C)c2c1CBr	EMOLS-id_331014843,MCULE-3657388547	285.223	SOHIHXKTIBBNNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047031
CC(C)C(C)n1nc2CCC(C)c2c1CBr	MCULE-6977341333,EMOLS-id_331017906	285.223	RQMLXSHXZBGEFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047032
CC(C)CCn1nc(CBr)c2C(C)CCc12	EMOLS-id_331030540,MCULE-1132984536	285.223	HRPOEKKYRZKSCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047033
CC(C)C(C)n1nc(CBr)c2C(C)CCc12	MCULE-7217596682,EMOLS-id_331032845	285.223	SHFODDRIEAPVLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047034
CC(n1nc2CCC(C)c2c1Br)C(C)(C)C	EMOLS-id_331021738,MCULE-9764741521	285.223	PXMCCDOXHNSPTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047035
CC(n1nc(Br)c2C(C)CCc12)C(C)(C)C	EMOLS-id_330973176,MCULE-3327156629	285.223	BXEYGYYNJQPFBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047036
O=C(c1ccn(CC(F)(F)F)n1)N1CCn2nccc12	ZINC22_1772126646,MCULE-8966954239,EMOLS-id_320397172	285.225	MDDPGQCVGUMLIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047037
O=C(c1ccnn1CC(F)(F)F)N1CCn2c1ccn2	MCULE-4478567859,EMOLS-id_320105546	285.225	IEBRIAPOFRMTTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047038
O=C(c1cnc2n1CCC2)Nc1c[nH]nc1C(F)(F)F	EMOLS-id_319537757	285.225	AUYNOALGOOACBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047039
O=C(c1cnn2c1CCC2)Nc1c[nH]nc1C(F)(F)F	EMOLS-id_318986703	285.225	XHEVRNROVQTADZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047040
O=C(c1nn2c(c1)CCC2)Nc1c[nH]nc1C(F)(F)F	EMOLS-id_319875155	285.225	IPVFIFBHWLFKFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047041
O=C(N1Cc2c(C1)cn[nH]2)c1ncn(c1)CC(F)(F)F	EMOLS-id_319427024	285.225	ITEAWUNLBZKCHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047042
O=C(N1CCn2c1ccn2)c1ncn(c1)CC(F)(F)F	EMOLS-id_319159115	285.225	JSYCDGSJNADTHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047043
c1cc(c(c(c1N)F)C(=O)c1c[nH]c2=[N+]=C(C=c12)C#N)F	PC-id_91806987	285.228	XZCJTEKUXCBGQT-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-047044
COC(=O)c1[nH]nc2c1C(=O)N(C2=O)Cc1ccccc1	ChEMBL-DNDi_CHEMBL1594602,PC-id_3237793,CK3027606	285.255	OCABSUZPAMPUGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047045
c1(=CC(=O)Nc2ccccc2OC)c(O)nc2ncnn12	MCULE-9992277204,PC-id_73373286	285.258	AQGMBDOUCTWPEW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047046
COc1ccccc1NC(=O)/C=c/1c(O)nc2ncnn12	ZINC22_9287444,PC-id_135727170	285.258	AQGMBDOUCTWPEW-RMKNXTFCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047047
CC1CC(c2n1ccn2)NCc1ccc(o1)C(F)(F)F	EMOLS-id_318491481,MCULE-6972736265	285.265	WYTXQODRIHBTBW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-047048
Cn1ncc(c1C(F)(F)F)NCc1cnc2n1CCC2	MCULE-3737435250,EMOLS-id_318674276	285.268	HDIDBHNDCPPCHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047049
FC(c1ccn(n1)CCNC1CCn2c1ncc2)(F)F	MCULE-8591408454,EMOLS-id_318159381	285.268	KHDHVYPIEITJLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047050
FC(Cn1ccc(n1)NCc1cnc2n1CCC2)(F)F	MCULE-2631078320,EMOLS-id_318215829	285.268	SGCWGDQFXXKHTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047051
FC(Cn1ncc(c1)NCc1cnc2n1CCC2)(F)F	MCULE-7018291057,EMOLS-id_318144766	285.268	IYHCOBBIBLUFSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047052
CCOC(=O)c1c(NC(=O)C(=O)O)sc2c1CCO2	SCHEMBL7534114,PC-id_57152749	285.273	JVFJTDMKXVSOCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047053
CO[P+](C1C(=O)n2c(C1CC(C)C)ccc2)(OC)[O-]	PC-id_102491094	285.276	KZFNVOFPYCSXFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047054
COC(=O)c1cc2c(n1P)/C(=C/c1ccccc1)/CC2	SCHEMBL12777623	285.278	WOZPYPZAWFRGHY-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047055
COC(=O)c1cc2c(n1P)CC/C/2=Cc1ccccc1	SCHEMBL12777624	285.278	ILGSLVJZJHVAQZ-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047056
Pn1c2c(CCC2=Cc2ccccc2)cc1C(=O)OC	PC-id_59180058	285.278	WOZPYPZAWFRGHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047057
Pn1c2CCC(=Cc3ccccc3)c2cc1C(=O)OC	PC-id_59180233	285.278	ILGSLVJZJHVAQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047058
CCOC(=O)C(F)(F)CC1CCn2c1ccc2C(=O)C	EMOLS-id_337724590	285.286	AQVKOFQTNSRWII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047059
OCC1CN(CCC1(F)F)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111191612	285.29	VKBNAWQWCLHYBO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047060
O=C(c1nn2c(c1)OCC2)NCC1CCCC(C1)(F)F	EMOLS-id_99595394	285.29	VZBBMUSYWGNPSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047061
O=C(C(C1(O)CCCCC1)(F)F)N1CCn2c1ncc2	EMOLS-id_279043845	285.29	BEEYDPILPWQVEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047062
CCCc1cc2n(c1C(=O)c1ccco1)CC=C2C(=O)O	PC-id_70628902,SCHEMBL11660576	285.295	RSRXXHSMWIIOHQ-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-047063
CCCc1cc2n(c1C(=O)c1cocc1)CC=C2C(=O)O	SCHEMBL11664102,PC-id_70629610	285.295	LKYSGNVGITWWIB-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-047064
CCOc1ccc(cc1)C(=O)c1cc2c(n1C)CC(=O)O2	SCHEMBL7683734,PC-id_18424219	285.295	GSBYHIRHRMHNMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047065
CCOc1ccccc1C(=O)c1cc2c(n1C)CC(=O)O2	SCHEMBL8045716,PC-id_22119072	285.295	ONMYMLLAYCADBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047066
COc1ccc2n1CCC2(C(=O)O)C(=O)c1ccccc1	SCHEMBL11118218,PC-id_70517499	285.295	NKUPEUBQTSLURV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047067
COc1ccc(cc1)C(=O)c1cc2c(n1C)C(C(=O)O2)C	PC-id_15485817,SCHEMBL7678781	285.295	GSGPFXADBOJBBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047068
COc1ccc(cc1)C(=O)c1ccc2C(CCn12)C(=O)O	EMOLS-id_110068536,KG-id_D02944,SCHEMBL38909,PD072279,MCULE-3235206341,CHEMBL428479,PC-id_47975	285.295	HEOZYYOUKGGSBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047069
COc1ccccc1C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11603741,PC-id_20351638	285.295	LMEWUXDXMIVWCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047070
COc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)O	SCHEMBL17378021,PC-id_76957817	285.295	HEOZYYOUKGGSBJ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047071
COc1ccc(cc1)C(=O)C1(CCn2c1ccc2)C(=O)O	PC-id_21736956,SCHEMBL9382096	285.295	RUESJSIVAQGCLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047072
COc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL9416911,PC-id_67847735	285.295	KZDFESKRRIJKBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047073
COc1cccc(C(=O)c2ccc3n2CCC3C(=O)O)c1	PC-id_13487042,CHEMBL8880,SCHEMBL11064891	285.295	UEQFRFNJLLGBNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047074
COC1(CCn2c(C(=O)c3ccccc3)ccc12)C(=O)O	EMOLS-id_43551200,PC-id_71587999,MCULE-4820378702	285.295	GDFTXJNJRPKPJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047075
CO[C@]1(C(=O)O)CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_67665130,PC-id_76972835	285.295	GDFTXJNJRPKPJY-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047076
CO[C@@]1(C(=O)O)CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_67665131,PC-id_76972834	285.295	GDFTXJNJRPKPJY-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047077
COC(=O)c1ccccc1NC(=O)c1occ2c1CCC2	ZINC22_505881032,PC-id_146086162,EMOLS-id_324012548,MCULE-2206795622	285.295	CRXKFZIVTXJEJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047078
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)O	SCHEMBL17369575,PC-id_118604668	285.295	LVOSPLQRDWPDDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047079
COC(=O)C1(O)c2ccc(C(=O)c3ccccc3)n2CC1	EMOLS-id_43550672,PC-id_71587997,MCULE-7598612095	285.295	BVOPXASBFYEPRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047080
COC(=O)[C@]1(O)CCn2c(C(=O)c3ccccc3)ccc12	PC-id_76962321,ZINC22_67665144	285.295	BVOPXASBFYEPRL-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047081
COC(=O)[C@@]1(O)CCn2c(C(=O)c3ccccc3)ccc12	PC-id_76962322,ZINC22_67665145	285.295	BVOPXASBFYEPRL-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047082
o1c2CCC(=O)c2c(c1)C(=O)Nc1ccc(OCC)cc1	PC-id_9838774	285.295	SLCCSZXAZOXSBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047083
O=C(c1cc2n(CCC2C(=O)O)c1)c1ccc(OC)cc1	MCULE-6459771065	285.295	FBKBUEPLMGSOHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047084
O=C([C@@H]1Cc2n(C1=O)ccc2)OCCc1ccc(cc1)O	UNPD222822	285.295	GLLQHDLOPYSNJC-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047085
O=C(OCCc1ccc(O)cc1)C1C(=O)n2cccc2C1	CNP0130865	285.295	GLLQHDLOPYSNJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047086
OC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccc(OC)cc1	PC-id_76957818	285.295	HEOZYYOUKGGSBJ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047087
c12CN(Cc1nn(C)c2C=O)C(=O)OCc1ccccc1	EMOLS-id_324349800,MCULE-2651343433	285.298	GOLXGRSPLAWCHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047088
C1Cc2c(C1)[nH]nc2C(=O)NC(c1ccccc1)C(=O)O	PC-id_91645217	285.298	OZLMVEBPCSYBDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047089
c1(C(=O)Nc2ccccc2C(=O)OC)c2CCCc2[nH]n1	EMOLS-id_179744852,MCULE-6002195993,PC-id_110388928	285.298	VRRSCZIRIACRSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047090
c1(C(=O)Nc2ccc(cc2)C(=O)OC)c2CCCc2[nH]n1	MCULE-1110349174,PC-id_110388930,EMOLS-id_179744858	285.298	WZOSGPKDKXNRDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047091
c1(C(=O)Nc2cccc(c2)C(=O)OC)c2CCCc2[nH]n1	PC-id_110388929,MCULE-7906973155,EMOLS-id_179744855	285.298	ZFOURNALTTZHAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047092
c1(C(=O)Nc2ccccc2C(=O)OC)cn2c(CCC2)n1	EMOLS-id_321298139,MCULE-1705469684	285.298	VTTUCRCFBSCTBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047093
c1(C(=O)Nc2cccc(c2)C(=O)OC)cn2c(CCC2)n1	EMOLS-id_321298395,MCULE-9122177601	285.298	JDIJFHGQQJCMBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047094
c1(C(=O)Nc2ccc(cc2)C(=O)OC)cn2c(CCC2)n1	MCULE-4186482784,EMOLS-id_321294556	285.298	APFLVQLYXDOWBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047095
c1(C(=O)NCc2ccc(cc2)C(=O)O)c2CCCc2[nH]n1	EMOLS-id_323257529,MCULE-5721478224	285.298	LUBRQUYLNCSACB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047096
CC1C(=Cc2c(c(ccc2)OC)OC)C(=O)c2ncnn12	MCULE-2930146966,PC-id_136555938,EMOLS-id_316943926	285.298	LTTKBXUCHDDJOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047097
CCOc1cc(/C=C/2C(=O)c3ncnn3[C@H]2C)ccc1O	ZINC22_864086035	285.298	AHQZGWLMLXYYGH-ISAHRAOESA-N	00000010100000110001000010000000000000000000000000000000	25-01-047098
CCOc1cc(/C=C/2C(=O)c3ncnn3[C@@H]2C)ccc1O	ZINC22_864086036	285.298	AHQZGWLMLXYYGH-NJQKBMNKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047099
CCOc1c(ccc(c1)C=C1C(n2c(ncn2)C1=O)C)O	MCULE-2989460212,EMOLS-id_316944182,PC-id_136555939	285.298	AHQZGWLMLXYYGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047100
CC(=O)c1ccc(C(=O)N2Cc3n[nH]cc3[C@@H]2CO)cc1	ZINC22_1875312924	285.298	KILAJEHARMHLNM-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047101
CC(=O)c1ccc(C(=O)N2Cc3n[nH]cc3[C@H]2CO)cc1	ZINC22_1875312925	285.298	KILAJEHARMHLNM-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047102
COc1cccc(/C=C/C(=O)c3ncnn3[C@H]2C)c1OC	ZINC22_864086943	285.298	LTTKBXUCHDDJOZ-FKVCUQLRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047103
COc1cccc(/C=C/C(=O)c3ncnn3[C@@H]2C)c1OC	ZINC22_864086946	285.298	LTTKBXUCHDDJOZ-MXFUOJGSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047104
O=C(c1oc2c(n1)CN(C2)C(=O)C)NCc1ccccc1	PC-id_95043052	285.298	BPBDGHIGINZELG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047105
O=C(N1CCn2c1ncc2)c1ccc(cc1)C1OCCO1	EMOLS-id_316772099	285.298	PWNJTXDFJJROMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-047106
O=C(N1CCn2c1ncc2)c1ccc(cc1)C1(O)COC1	EMOLS-id_318951083	285.298	SAIDJPBXEACYJA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047107
O=C(N[C@@H](C(=O)O)c1ccccc1)c1n[nH]c2c1CCC2	ZINC22_195542676,EMOLS-id_50338773,MCULE-1103187303	285.298	OZLMVEBPCSYBDQ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047108
O=C(O)c1ccc(CNC(=O)c2cnn3c2CCC3)cc1	MCULE-5309932356,PC-id_121897536,ZINC22_262909704,EMOLS-id_72505210	285.298	NAHVQPHLEMEING-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047109
OC(=O)[C@@H](c1ccccc1)NC(=O)c1cnn2c1CCC2	PC-id_121898017	285.298	UAIYDTRWLBKGLE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047110
OC(=O)[C@H](c1ccccc1)NC(=O)c1cnn2c1CCC2	PC-id_121898134	285.298	UAIYDTRWLBKGLE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047111
OC(=O)CN(C(=O)c1cnn2c1CCC2)c1ccccc1	MCULE-9513057407,PC-id_121898237,EMOLS-id_72506436	285.298	KWWTURJVFWIUIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047112
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)CC	MCULE-4121302920,PC-id_135635954,STOCK6S-47703,EMOLS-id_17101467	285.301	MZJJMIJMKRQGIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047113
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C)C	PC-id_135635963,MCULE-6048313793,EMOLS-id_17103433,STOCK6S-49096	285.301	UJELUXBGTUVJLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047114
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1C)C	PC-id_135636011,MCULE-4559588211,STOCK6S-55911,EMOLS-id_17113554	285.301	DSCAVZWNVSHIBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047115
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1CC	PC-id_135649890,STOCK6S-74907,EMOLS-id_24585342,MCULE-1834127351	285.301	IODGSCLYYOJHDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047116
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1)CC	STOCK6S-74487,PC-id_135629427,EMOLS-id_24584803,MCULE-5678111417	285.301	RODCWLCXZAJSGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047117
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1C)C	STOCK6S-82478,PC-id_135649903,SPECS-id_AN-153/NB21577,EMOLS-id_27454506,MCULE-8204940901	285.301	LUXYSEQSWHQRGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047118
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(c(C)c1)C	PC-id_135649892,EMOLS-id_27447020,STOCK6S-77759,MCULE-2598350335	285.301	MUQMXOQHUHQLSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047119
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(C)c1)C	PC-id_135649902,STOCK6S-75305,EMOLS-id_27443042,MCULE-4850764603	285.301	VMVQBIHIRTUBKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047120
c12ncnn1C(C(=O)N2)CC(=O)Nc1cc(C)ccc1C	STOCK6S-71823,MCULE-1088942469,PC-id_135629420,EMOLS-id_24581489	285.301	MBPSOPLIQGFKRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047121
c12ncnn1C(C(=O)N2)CC(=O)Nc1cc(C)cc(C)c1	MCULE-7292095288,PC-id_135649894,EMOLS-id_24575381,STOCK6S-66965	285.301	YBRMDWMGMRZLPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047122
Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2922017,PC-id_68441807	285.301	CXXDFAJBNCENCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047123
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2922421,PC-id_68441972	285.301	REGFBXMUIUUPRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047124
Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)c1	PC-id_135901794,ZINC22_20717992	285.301	YBRMDWMGMRZLPS-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047125
Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)c1	ZINC22_20717988,PC-id_135901793	285.301	YBRMDWMGMRZLPS-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047126
Cc1ccc(C)c(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)c1	ZINC22_20734779,PC-id_135902640	285.301	MBPSOPLIQGFKRT-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047127
Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)Nc3ncnn23)c1	ZINC22_20734782,PC-id_135902641	285.301	MBPSOPLIQGFKRT-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047128
Cc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)c1	PC-id_135898452,ZINC22_31812417	285.301	VMVQBIHIRTUBKD-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047129
Cc1cccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)c1	PC-id_135898453,ZINC22_31812422	285.301	VMVQBIHIRTUBKD-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047130
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135899880,ZINC22_13692822	285.301	UJELUXBGTUVJLM-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047131
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc1	ZINC22_13692823,PC-id_135899881	285.301	UJELUXBGTUVJLM-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047132
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1C	PC-id_135878587,ZINC22_31813532	285.301	MUQMXOQHUHQLSQ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047133
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1C	ZINC22_31813535,PC-id_135878588	285.301	MUQMXOQHUHQLSQ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047134
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)c(C)c1	PC-id_135904213,ZINC22_13736412	285.301	DSCAVZWNVSHIBN-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047135
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)c(C)c1	PC-id_135904214,ZINC22_13736415	285.301	DSCAVZWNVSHIBN-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047136
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1C)C(=O)N2	PC-id_135878646,ZINC22_31815472	285.301	LUXYSEQSWHQRGS-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047137
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1C)C(=O)N2	ZINC22_31815477,PC-id_135878647	285.301	LUXYSEQSWHQRGS-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047138
CCc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_135950744,ZINC22_20745788	285.301	IODGSCLYYOJHDR-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047139
CCc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_20745789,PC-id_135950745	285.301	IODGSCLYYOJHDR-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047140
CCc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	PC-id_135925017,ZINC22_13691486	285.301	MZJJMIJMKRQGIS-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047141
CCc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	ZINC22_13691487,PC-id_135925018	285.301	MZJJMIJMKRQGIS-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047142
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1)C(=O)N2	PC-id_135950654,ZINC22_20745376	285.301	RODCWLCXZAJSGC-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047143
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1)C(=O)N2	ZINC22_20745377,PC-id_135950655	285.301	RODCWLCXZAJSGC-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-047144
CC(=O)Nc1cnccc1C(=O)NC1CCn2c1cnc2	EMOLS-id_319222612	285.301	YAHGVSLSZPCCAU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047145
CC(=O)Nc1cnccc1C(=O)NC1CCn2c1ncc2	MCULE-5251976829,EMOLS-id_320311598	285.301	DMIZTCWFOZHUOA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047146
CC(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	PC-id_68440780,SCHEMBL2918972	285.301	AOZHZGAJJKUDDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047147
CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccccc1	PC-id_46184646,SCHEMBL12307391	285.301	UOMJMODFCHDDIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047148
N=C(c1ccc(cc1)CN1CCn2c1ccn2)NC(=O)O	SCHEMBL18952166	285.301	PCHPAHGNXICAMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047149
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1C	SCHEMBL2917812,PC-id_68440439	285.301	QXZNPEJYLJCLNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047150
NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1	SCHEMBL2921278,CHEMBL378584,BindingDB_PC-id_23645989,PC-id_23645989,BindingDB-id_21794	285.301	AMPGTDPLFIQJLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047151
O=C(c1nn2c(c1)OCC2)NC1CN(C1)c1ccccn1	EMOLS-id_319217058	285.301	FLQQXUMLSITAPY-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-047152
O=C(N[C@@H]1CCn2cncc12)c1cc(O)nc(C2CC2)n1	ZINC22_857977795	285.301	HHQVPKCZDZXSIU-SECBINFHSA-N	00100010100000100001100010000000000000000000000000000000	25-01-047153
O=C(N[C@H]1CCn2cncc12)c1cc(O)nc(C2CC2)n1	ZINC22_857977797	285.301	HHQVPKCZDZXSIU-VIFPVBQESA-N	00100010100000100001100010000000000000000000000000000000	25-01-047154
FC(c1coc(n1)NCCc1sc2c(n1)CCC2)F	EMOLS-id_319538486	285.313	LXYYUCIGAOTYNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047155
c12CN(Cc1nn(CCF)c2CO)C(=O)OC(C)(C)C	MCULE-3434273658,EMOLS-id_324346476	285.315	FRQBOSZWHSJNBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047156
CC(C)(C)C(CCNC(=O)c1nn2CCOc2c1F)O	PC-id_91960072	285.315	SXGKDTAWHHMJTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047157
c1(c2CCCc2[nH]n1)C(=O)N1CCC1c1ccc(cc1)F	PC-id_77096689,EMOLS-id_49897921,MCULE-9095190486	285.316	VFBYQBIMNAKFPN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047158
COc1cccc(Cn2nc3CCC(C)c3c2C#N)c1F	MCULE-3838124683,EMOLS-id_330998718	285.316	JFGWQLIUROISEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047159
COc1cccc(Cn2nc(C#N)c3C(C)CCc23)c1F	MCULE-5185161534,EMOLS-id_331022067	285.316	CBETYYUNIJCTHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047160
COc1cccc(F)c1Cn1nc2CCC(C)c2c1C#N	EMOLS-id_331002032,MCULE-7316842941	285.316	GMWGKRXKGZDIID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047161
COc1cccc(F)c1Cn1nc(C#N)c2C(C)CCc12	MCULE-3195391424,EMOLS-id_331021301	285.316	AXYYCJACPAHHKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047162
COc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1F	EMOLS-id_331000254,MCULE-8515013464	285.316	ZJIMMAHBLSQQLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047163
COc1ccc(Cn2nc3CCC(C)c3c2C#N)c(F)c1	EMOLS-id_331000510,MCULE-9411547798	285.316	JDYPTURMHBCYDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047164
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1F	MCULE-9874960254,EMOLS-id_331019508	285.316	GXXQJLFOVWKAJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047165
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)c(F)c1	EMOLS-id_331019764,MCULE-8569399385	285.316	LHQDQLZGLLXCSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047166
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1C#N	MCULE-6218832037,EMOLS-id_331001791	285.316	NCFSJZGUWFJRLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047167
COc1ccc(F)cc1Cn1nc(C#N)c2C(C)CCc12	MCULE-4295356965,EMOLS-id_331021045	285.316	YOJSSBKOICOFJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047168
COc1ccc(F)c(Cn2nc3CCC(C)c3c2C#N)c1	MCULE-4197676943,EMOLS-id_330998462	285.316	OOZIYKVSPXXXBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047169
COc1ccc(F)c(Cn2nc(C#N)c3C(C)CCc23)c1	EMOLS-id_331021811,MCULE-9680995363	285.316	VDODTEUHKXBSJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047170
COc1cc(Cn2nc3CCC(C)c3c2C#N)ccc1F	EMOLS-id_330998974,MCULE-2106940778	285.316	WQYUGOLXMZYRGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047171
COc1cc(Cn2nc(C#N)c3C(C)CCc23)ccc1F	MCULE-8760392342,EMOLS-id_331022323	285.316	ZEFLCLLDFBSYCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047172
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1C#N	EMOLS-id_331002288,MCULE-5039969323	285.316	RGWGJTHORRJXQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047173
COc1cc(F)ccc1Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331021557,MCULE-6039009485	285.316	QJDHRBSWKUIPIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047174
COc1cc(F)cc(Cn2nc3CCC(C)c3c2C#N)c1	MCULE-2247234288,EMOLS-id_330999230	285.316	VNORRCKDFKMZMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047175
COc1cc(F)cc(Cn2nc(C#N)c3C(C)CCc23)c1	EMOLS-id_331018484,MCULE-7922390550	285.316	ZVIGCQHHJSLYAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047176
COc1c(F)cccc1Cn1nc2CCC(C)c2c1C#N	MCULE-3757507474,EMOLS-id_331002544	285.316	LBVSOSKYOYZWQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047177
COc1c(F)cccc1Cn1nc(C#N)c2C(C)CCc12	MCULE-9137284934,EMOLS-id_331021813	285.316	AOLWBVDCXPJXGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047178
Fc1ccc(cc1)C1(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98628495	285.316	PHXLRKZQOFTOIQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047179
Fc1cccc(c1)C1CCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318006340	285.316	DMFMRAPDHSIXEI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047180
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318130201	285.316	LHHYUDDNPSSVSQ-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047181
O=C(C1Cc2c1cc(cc2)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318841855	285.316	YIMXEKNAHIUDJN-UHFFFAOYSA-N	00001010100000100001001010000000000000000000000000000000	25-01-047182
O=C(c1n[nH]c2c1CCC2)N1CC[C@H]1c1ccc(F)cc1	PC-id_99955659,ZINC22_216404472	285.316	VFBYQBIMNAKFPN-AWEZNQCLSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047183
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H]1c1ccc(F)cc1	PC-id_99955662,ZINC22_216404515	285.316	VFBYQBIMNAKFPN-CQSZACIVSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047184
O=C([C@@H]1C[C@H]1c1ccc(cc1)F)NC1CCn2c1cnc2	EMOLS-id_319846471	285.316	UIRGBNRBGVQCOE-WLDKUNSKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047185
O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCc2c[nH]nc12	ZINC22_1875274367	285.316	WLFLBGSPHJVWDX-HZSPNIEDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047186
O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCc2c[nH]nc12	ZINC22_1875274368	285.316	WLFLBGSPHJVWDX-MELADBBJSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047187
s1c2c(CCC2)c(c1NC(=O)OCCO)C(=O)OC	PC-id_79348874	285.316	IBCPPBCCKMRPLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047188
S1C(OC)c2n(c(c(c2C(=O)OC)C(=O)OC)C)C1	PC-id_11483020	285.316	UQHAODGONAJARJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047189
Cc1sc2c(c1C)C(=O)C(=O)N2C(=O)c1ccccc1	ZINC22_71772423	285.318	IWEODIKTLSWHCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047190
N#Cc1ccc(cc1F)C(NCc1nnc2n1CCC2)C	EMOLS-id_318678231,MCULE-9671744708	285.319	CNVGLFUTKPVAOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047191
N#Cc1ccc(c(c1)F)CNC(c1nnc2n1CCC2)C	MCULE-7199343384,EMOLS-id_318619348	285.319	HHXKYLYHEJNMGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047192
N#Cc1cc(CNC(c2nnc3n2CCC3)C)ccc1F	PC-id_107936184	285.319	YEZRYNOUZXRJCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047193
O=C(C1(C)COC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110420950	285.319	SSNVWLQQYARVMF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047194
OC(=O)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	MCULE-6126750556,PC-id_120395987,EMOLS-id_72219786	285.319	CFKZOEGQQZLNPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047195
OC(=O)[C@H]1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_72223866,PC-id_120397626,MCULE-7736880611	285.319	CFKZOEGQQZLNPE-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047196
OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_72224244,MCULE-9193421835,PC-id_120397524	285.319	CFKZOEGQQZLNPE-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047197
OC(=O)N1Cc2c(C1)cn(n2)S(=O)(=O)C1CCCC1	PC-id_67379803,SCHEMBL2364142	285.319	KFTWUYISHWIZBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047198
OC(=O)N1Cc2c(C1)cnn2S(=O)(=O)C1CCCC1	SCHEMBL827181,PC-id_66810554	285.319	GUUSRELCFUQRED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047199
s1c2CCCc2nc1NC(=O)NC(C(O)C)C(=O)O	PC-id_61509919	285.319	GQGYVJCAFCPGBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047200
s1c2CCCc2nc1NC(=O)NCC(O)(C)C(=O)O	PC-id_66176793	285.319	GGAAOVHJZVQWSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047201
CCC1(CC1)S(=O)(=O)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_112081742	285.32	QXEDVNXVWYSYQU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047202
COC(C(=O)O)CNC(=O)Nc1sc2c(n1)CCC2	PC-id_106109915	285.32	RNUWEZNRWPJMQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047203
CS(=O)(=O)N1Cc2nc(C(=O)N3CCCC3)oc2C1	EMOLS-id_46185423,ZINC22_96088079,PC-id_97407321	285.32	NJILLLXSSFLESZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047204
NC(=O)COCCNc1sc2c(n1)C(CC2)C(=O)O	PC-id_114162853	285.32	SFWQUDYCMZSZPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047205
O=C(c1cn2c(n1)CCC2)NS(=O)(=O)C1COCC1	EMOLS-id_112098458,MCULE-3967636143	285.32	APEHBKAZASUJML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047206
O=C(C1(COC1)CS(=O)(=O)C)N1CCn2c1ccn2	EMOLS-id_319677162	285.32	SMXBSAUWARBGJV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047207
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)CC1CCC1	EMOLS-id_112034692	285.32	YRUUOFVTOJNMHJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047208
OCC[C@H](C(=O)O)NC(=O)Nc1sc2c(n1)CCC2	PC-id_107826917	285.32	JTFZBEPBEQDOTM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047209
OCC[C@@H](C(=O)O)NC(=O)Nc1sc2c(n1)CCC2	PC-id_114005524	285.32	JTFZBEPBEQDOTM-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047210
O=C(Nc1sc2c(n1)CCC2)NCCC(C(=O)O)O	PC-id_114007324	285.32	BOQINSQYODEQDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047211
O=C(Nc1sc2c(n1)CCC2)NCC[C@@H](C(=O)O)O	PC-id_107839076	285.32	BOQINSQYODEQDW-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047212
O=C(N[C@H](C(=O)O)[C@H](O)C)Nc1sc2c(n1)CCC2	PC-id_113628899	285.32	GQGYVJCAFCPGBT-XRGYYRRGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047213
s1c2CCCc2nc1NC(=O)NC(CCO)C(=O)O	PC-id_61510000	285.32	JTFZBEPBEQDOTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047214
s1c2CCCc2nc1NC(=O)NCCOCC(=O)O	PC-id_79463153	285.32	UQKLRRWEQKIGBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047215
s1c2CCCc2nc1NC(=O)NC(COC)C(=O)O	PC-id_81083714	285.32	QHEBIRZSSHBKJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047216
c1(ccc(O)nc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-9062515307,PC-id_60629729,EMOLS-id_327929261	285.321	RSKWVJXSIXJZKK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047217
C=CCOc1ccc(cc1)/C=c/1sc2n(c1=O)ncn2	EMOLS-id_1427342,STOCK2S-51815,BAS-03308486,ZINC22_12343887	285.321	OKDOXGZUHRAJQR-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047218
C=CCOc1ccccc1/C=c
/sc2ncnn2c1=O	EMOLS-id_45964436,ZINC22_2830873	285.321	OTUFBSYCMJZTFL-XYOKQWHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047219
C=CCOc1ccccc1/C=c/1sc2ncnn2c1=O	ZINC22_12343930,ChEMBL-DNDi_CHEMBL5629-0882,EMOLS-id_2455461	285.321	OTUFBSYCMJZTFL-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047220
C=CCOc1ccccc1C=c1sc2ncnn2c1=O	ZINC22_254757420,EMOLS-id_300080192,MCULE-7526970663	285.321	OTUFBSYCMJZTFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047221
C=CCOc1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_2305838,EMOLS-id_688756	285.321	OKDOXGZUHRAJQR-XYOKQWHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047222
COc1ccccc1/C=C/C=c
/sc2ncnn2c1=O	EMOLS-id_45977412,ZINC22_208406	285.321	CNLWCZPTSYTWSF-RZYXTZOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047223
COc1ccccc1/C=C/C=c/1sc2ncnn2c1=O	ZINC22_208411,EMOLS-id_25956249	285.321	CNLWCZPTSYTWSF-HOGPSILUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047224
n12ncnc1sc(=Cc1ccc(cc1)OCC=C)c2=O	MCULE-7439315361,EMOLS-id_299988389	285.321	OKDOXGZUHRAJQR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047225
n12ncnc1sc(=CC=Cc1ccccc1OC)c2=O	MCULE-7818303278,EMOLS-id_300178126	285.321	CNLWCZPTSYTWSF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047226
[n+]1(ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N)[O-]	EMOLS-id_328007376,MCULE-6980996156	285.321	LHMZWUKMNDSPJF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047227
n1cc(O)ccc1C(=O)Nc1sc2CCCc2c1C#N	MCULE-5337424631,EMOLS-id_327926632	285.321	FPEDKELYNAKWLK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047228
N#Cc1cccc(c1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287587	285.321	QCRYSRRXMPMOLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047229
N#Cc1ccc(cc1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287616	285.321	TZQSISJBSBFHGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047230
COc1cccc(c1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_318995737	285.341	WPIDNRDTDIBQHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047317
N#Cc1c(NC(=O)c2cc[nH]c(=O)c2)sc2c1CCC2	PC-id_108106007	285.321	KDHOSELFSFRFOE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047231
N#Cc1c(sc2c1CCC2)NC(=O)c1cccc(=O)[nH]1	PC-id_108109861	285.321	HTBYPYUKOBVOND-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047232
N#Cc1c(sc2c1CCC2)NC(=O)c1c[nH]ccc1=O	PC-id_108101325	285.321	WMTBNHAALJENOG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047233
[O-][N+](=O)c1ccc(cc1)C=NCCn1cc[n+]2c1CCC2	PC-id_101507814	285.321	UIGXGLTXLLBQEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047234
s1c2CCCc2c(c1NC(=O)C1C=CC(=O)N=C1)C#N	PC-id_76872034	285.321	WSLAPZNGZVVHED-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-047235
s1c2CCCc2c(c1NC(=O)c1cc(O)cnc1)C#N	PC-id_63859413	285.321	UGLQVTBPPYPOGE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047236
C1CC(N(C1)S(=O)(=O)c1cnc2n1CCN2)C(=O)N	SCHEMBL5001059,PC-id_136410121	285.323	FBZYMCACIRSZLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047237
S1CCn2c1nc(NC(=O)c1c(nccc1)C)c2C#N	PC-id_72132822	285.324	JLANTPCIGFNCJG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047238
CC1Cc2c(C1(F)F)n(nc2C(=O)N(C)C)C(C)(C)C	PC-id_134186167	285.333	ZBOLHHQWWWCTPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047239
CN(C(=O)c1nn(c2c1C[C@H](C2(F)F)C)C(C)(C)C)C	SCHEMBL19788765	285.333	ZBOLHHQWWWCTPN-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047240
s1c2CCCc2cc1C(=O)C(c1ccc(F)cc1)C#N	PC-id_43156947	285.336	JOMVDJMHUUIVCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047241
s1c2CCCc2cc1C(=O)C(c1cc(F)ccc1)C#N	PC-id_43334544	285.336	HQEPAKRKJQBDKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047242
s1c2CCCc2cc1C(=O)C(c1c(F)cccc1)C#N	PC-id_61552273	285.336	LZGHTYZCHBDWTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047243
C1c2cocc2C[N+]1(CCCC(=O)[O-])Cc1ccccc1	SCHEMBL8560700,PC-id_88322130	285.338	SWGHWMATNVDACQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047244
C/C=CC=C/C(=CC)/C(=O)c1ccc2n1CC[C@H]2C(=O)O	PC-id_142984949	285.338	QXJQNGACEMPPEM-WIHDDQNISA-N	00000010100000000000000010000000000000000000000000000000	25-01-047245
CCOC(=O)Oc1cc2c(n1Cc1ccccc1)CCC2	SCHEMBL9436526,PC-id_67851865	285.338	PRIJGFRZSMPQOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047246
COc1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)OC	SCHEMBL1004611,PC-id_59180131	285.338	LZBCFMDSESAFKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047247
COc1cccc(c1)CC1CCc2c1[nH]c(c2)C(=O)OC	PC-id_59180168,SCHEMBL1003764	285.338	AMMLXHYLBVMPRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047248
COc1ccc(cc1)CCC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1006644,PC-id_44125122	285.338	GXFHYVBVNWIBDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047249
o1c(c2CN(Cc2c1)CCCC(=O)O)Cc1ccccc1	SCHEMBL8560695,PC-id_67625129	285.338	MSHCZCSZVQLRSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047250
OC(C1CCn2c1ccc2C(=O)c1ccccc1)C(O)C	PC-id_70474472,SCHEMBL10925202	285.338	XPCHFVIKJFTGDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047251
c12CN(Cc1nn(CCC)c2C(=O)O)Cc1ccccc1	MCULE-1496131872,EMOLS-id_324343401	285.341	ZFXVODIDKUKABV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047252
C1COC(O1)c1cccc(c1)CNC1CCn2c1ncc2	EMOLS-id_318559410,MCULE-2964762543	285.341	GKFRUJPJGRTHNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-047253
c1(C(=O)Nc2ccc(cc2)COC)c2CCCc2n(C)n1	PC-id_84466429,MCULE-3485539463,EMOLS-id_320483328	285.341	FKHRMWXTOJHVNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047254
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)OC)n1	MCULE-2103579753,EMOLS-id_331034884	285.341	CLOODNAVGCWLNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047255
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2OC)n1	MCULE-9412197439,EMOLS-id_331035400	285.341	ZCVZZTHMBVUYCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047256
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(OC)c2)n1	EMOLS-id_331036422,MCULE-2485135204	285.341	KUXKJLSEBJYBIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047257
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)OC	EMOLS-id_331016893,MCULE-3372599171	285.341	ZBZBJVNJCXWGBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047258
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1OC	EMOLS-id_331021489,MCULE-8052944258	285.341	GOHXCZPVYHJNFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047259
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(OC)c1	EMOLS-id_331018416,MCULE-2674618136	285.341	RRBXBHVZYQAOIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047260
c1(C(=O)Nc2ccc(cc2)OCC)c2CCCc2n(C)n1	MCULE-6820876245,PC-id_110389099,EMOLS-id_179745361	285.341	RTVKUOVJXBZKKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047261
c1(C(=O)Nc2ccccc2OCC)c2CCCc2n(C)n1	PC-id_110389098,EMOLS-id_179745358,MCULE-5678552120	285.341	ZJIOKSUCKTYNCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047262
c1(C(=O)Nc2ccccc2OCCC)c2CCCc2[nH]n1	EMOLS-id_334984441,MCULE-3619871353	285.341	HLCQRLWOSHDXGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047263
c1(C(=O)Nc2ccccc2OC(C)C)c2CCCc2[nH]n1	MCULE-8221097781,PC-id_110388917,EMOLS-id_179744818	285.341	QFUCUBONTYIMRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047264
c1(C(=O)Nc2ccc(cc2)OC(C)C)c2CCCc2[nH]n1	MCULE-8997562072,EMOLS-id_179744821,PC-id_110388918	285.341	UDJXQBIGURGSMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047265
c1(C(=O)Nc2ccc(cc2)OCCC)c2CCCc2[nH]n1	MCULE-9135861574,EMOLS-id_334961908	285.341	FOWZJPFCKRVGRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047266
c1(C(=O)Nc2ccccc2OC(C)C)cn2c(CCC2)n1	EMOLS-id_321295067,MCULE-2857356708	285.341	QJXNZVVTSIQFSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047267
c1(C(=O)Nc2ccc(cc2)OC(C)C)cn2c(CCC2)n1	EMOLS-id_321295323,MCULE-6414308537	285.341	SCNPTEGVKHZGGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047268
c1(C(=O)Nc2cc(C)ccc2OC)c2CCCc2n(C)n1	MCULE-1270148339,PC-id_110389100,EMOLS-id_179745364	285.341	GZEJGRLZVSTHMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047269
c1(C(=O)Nc2cc(C)ccc2OCC)c2CCCc2[nH]n1	EMOLS-id_335014654,MCULE-9286865930	285.341	FHHITZCEEUEGEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047270
c1(C(=O)Nc2cccc(OCC)c2)c2CCCc2n(C)n1	MCULE-3840535298,EMOLS-id_320483084,PC-id_84467423	285.341	WREUMVPQJTZXJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047271
c1(C(=O)Nc2cccc(OC(C)C)c2)c2CCCc2[nH]n1	EMOLS-id_335001075,MCULE-4762548814	285.341	JMSVUOUCGTXCJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047272
c1(C(=O)Nc2cccc(OCCC)c2)c2CCCc2[nH]n1	MCULE-3346953835,EMOLS-id_334994918	285.341	LEMSPUVEAPTOAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047273
c1(C(=O)NCc2ccccc2OC)c2CCCc2n(C)n1	EMOLS-id_179745085,PC-id_110389007,MCULE-8020476279	285.341	OOCZQJDXYNBNRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047274
c1(C(=O)NCc2ccc(cc2)OC)c2CCCc2n(C)n1	EMOLS-id_179745088,MCULE-3603428510,PC-id_110389008	285.341	QVGVASURHZWXFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047275
c1(C(=O)NCCc2ccccc2)cc2n(C[C@@H](OC)C2)n1	MCULE-6763374495,EMOLS-id_316337503	285.341	NVOJGIGRBKJSGP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047276
c1(C(=O)NCCc2ccccc2OC)c2CCCc2[nH]n1	MCULE-7637900978,PC-id_110388841,EMOLS-id_179744598	285.341	ITABCYYZNGGJEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047277
c1(C(=O)NCCc2ccc(cc2)OC)c2CCCc2[nH]n1	PC-id_110388843,EMOLS-id_179744604,MCULE-1684743806	285.341	UWLCAYYQCOOYIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047278
c1(C(=O)NCCc2ccccc2OC)cn2c(CCC2)n1	MCULE-5198994515,EMOLS-id_321296085	285.341	LYLNIKPGDHLDQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047279
c1(C(=O)NCCc2ccc(cc2)OC)cn2c(CCC2)n1	MCULE-7933365982,EMOLS-id_321296597	285.341	GXVVZSFLPJQGKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047280
c1(C(=O)NCCc2cccc(OC)c2)c2CCCc2[nH]n1	EMOLS-id_179744601,PC-id_110388842,MCULE-7533932470	285.341	FWKJMVMVMCIXRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047281
c1(C(=O)NCCc2cccc(OC)c2)cn2c(CCC2)n1	EMOLS-id_321296341,MCULE-6282598304	285.341	CMCPEOOMGBWNBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047282
c1(C(=O)NC(C)c2ccc(OC)cc2)c2CCCc2[nH]n1	EMOLS-id_335032066,MCULE-7722366936	285.341	JSPJIVWHSZZKJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047283
c1(C(=O)N(CCO)Cc2ccccc2)c2CCCc2[nH]n1	MCULE-3902131572,EMOLS-id_334755579,PC-id_110900744	285.341	UOZHMTRVFOXJQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047284
c1(C(=O)NC(CO)Cc2ccccc2)c2CCCc2n[nH]1	MCULE-8970886273,EMOLS-id_54877938,PC-id_91820928	285.341	QODZWBGLHPDTMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047285
c1(C(=O)N[C@H](CO)Cc2ccccc2)c2CCCc2[nH]n1	ZINC22_120446025,MCULE-6242893534,PC-id_110205674,STOCK7S-55399,EMOLS-id_55728170	285.341	QODZWBGLHPDTMV-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047286
c1(NC(=O)c2ccc(cc2)OCC)n(C)nc2CCCc12	EMOLS-id_24910400,CoCoCo_5273014,MCULE-7718401635,PC-id_30859113,ZINC22_23135674	285.341	DVDLJLHXRGPCIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047287
c1(NC(=O)Cc2ccc(cc2)OC)n(C)nc2CCCc12	ZINC22_38510647,MCULE-7632132178,EMOLS-id_43484303,PC-id_45536358	285.341	PFIMRCNWSJUKQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047288
c1(NC(=O)COc2ccccc2C)n(C)nc2CCCc12	ZINC22_38884753,MCULE-1445517445,PC-id_45536835,EMOLS-id_43484323	285.341	JKCSDOCFCMVBTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047289
c1(NC(=O)COc2ccc(cc2)C)n(C)nc2CCCc12	ZINC22_38884757,PC-id_45536837,EMOLS-id_43484327,MCULE-2024012038	285.341	SFWKRRPHUGETMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047290
c1(NC(=O)COc2cccc(C)c2)n(C)nc2CCCc12	PC-id_45536836,MCULE-8522086660,EMOLS-id_43484325,ZINC22_38884755	285.341	JSSXJTIYQMAXKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047291
C1OCC(C1)c1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_319751300	285.341	WCPVGRRDFXKMLU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-047292
Cc1cc([C@@H]2CCCN2C(=O)c2cc3n(c2)CCC3)on1	ZINC22_1875310279	285.341	LHDNRXYUEGUFHX-AWEZNQCLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047293
Cc1cc([C@H]2CCCN2C(=O)c2cc3n(c2)CCC3)on1	ZINC22_1875310280	285.341	LHDNRXYUEGUFHX-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047294
Cc1c[nH]c(c(c1=O)C)CNC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_318993183	285.341	ZUOWBQFQCCFFBS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047295
Cc1c[nH]c(n1)C1(CCC1)NC(=O)c1occ2c1CCC2	EMOLS-id_319993930,MCULE-3208656958	285.341	HEHWQQVLZSMIPW-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-047296
CCc1ccc(c(c1)O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318933171	285.341	DENZIMROCQTKCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047297
CCc1cc(ccc1O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320223565,MCULE-6300671185	285.341	MZNDJTQELJNGGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047298
CCc1cccc(c1O)C(=O)NCc1cnc2n1CCC2	MCULE-8744440464,EMOLS-id_320198976	285.341	SQXNHJSICSRRRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047299
CCc1cc(ccc1O)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318929731	285.341	OROCWPCCKHJLHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047300
CCc1ccc(c(c1)O)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319397444	285.341	IEWLBWHQTLJTLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047301
CC(C)C1N(Cc2n[nH]cc12)C(=O)OCc1ccccc1	MCULE-2460873197,EMOLS-id_178505695	285.341	CDBKLRFJPUMSNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047302
C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc2n(n1)CCC2	ZINC22_295472001	285.341	OZRRRZXVHMJRKZ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047303
C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc2n(n1)CCC2	ZINC22_295472006	285.341	OZRRRZXVHMJRKZ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047304
C[C@H](c1cccc(O)c1)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_335549429	285.341	APQCUYSAPFUTQJ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047305
C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_335549430	285.341	APQCUYSAPFUTQJ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047306
CCOc1ccccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318836199	285.341	DZURRHKQSQVSGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047307
CCOc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318933245	285.341	KNVVRKBWRUILQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047308
CCOc1ccccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318936089	285.341	KLUNMRNJDZFNOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047309
Cn1nc2c(c1C(=O)N1CC(Cc3ccoc3)C1)CCC2	PC-id_136567853,ZINC22_890576313,MCULE-5297947088,EMOLS-id_316992716	285.341	BGFWWRYXIPPGND-UHFFFAOYSA-N	00001010101000000001000010000000000000000000000000000000	25-01-047310
Cn1ncc(c1)CC1CN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_278456390	285.341	UBBJDNBLINHAJD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047311
CN(Cc1ccc(C(=O)O)cc1)Cc1cc2n(n1)CCC2	ZINC22_864096021,EMOLS-id_316964404,MCULE-6769135522	285.341	UTPSPIJJALPIHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047312
CN(C(=O)c1occ2c1CCC2)CCNc1ccccn1	EMOLS-id_319558056	285.341	QAWXQRXTHZZAPO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047313
COc1ccc(c(c1)C)CC(=O)NC1CCn2c1cnc2	MCULE-4112926530,EMOLS-id_316340113	285.341	CQIMTUHKQYAPOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047314
COc1ccccc1CC(=O)Nc1c2c(nn1C)CCC2	EMOLS-id_33313569,PC-id_47777677,ZINC22_58358160,MCULE-3830409907	285.341	SCXSIYDWXOYREE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047315
COc1ccc(cc1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_318805401	285.341	WBOMTRVTGWGEJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047316
COc1cccc(c1)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318823154	285.341	YEMMHYGWUDXXNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047318
COc1ccc(c(c1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320253392,MCULE-8860093507	285.341	KUGMNYCCNWSNBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047319
COc1cc(C(=O)Nc2c3c(nn2C)CCC3)ccc1C	ZINC22_58365296,PC-id_47777348,MCULE-3695774729,EMOLS-id_33313559	285.341	QUATVIVNAXNBTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047320
COC(c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319040893	285.341	QNKXOUVYRKAXOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047321
COCc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319310181	285.341	YNCLMEKADYOGSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047322
COCc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319014314	285.341	GCGORCXTHVSHTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047323
COCc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-9386464175,EMOLS-id_320000467	285.341	AOQGVGBSBPFQNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047324
COC(C(=O)Nc1n(C)nc2c1CCC2)c1ccccc1	EMOLS-id_318556063	285.341	YSUAMSMDGSMTKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047325
COC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(cc1)C	SCHEMBL18758559	285.341	SHEPTCBQKDRWQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047326
Oc1ccc(cc1)CC(C(=O)N1Cc2c(C1)cn[nH]2)(C)C	MCULE-9608269199,EMOLS-id_319934654	285.341	OWFNHMMZUPPVDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047327
Oc1cccc(c1)C(C(=O)N1Cc2c(C1)cnn2C)(C)C	MCULE-3070057089,EMOLS-id_320233874	285.341	QELVDGQTVNDYRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047328
Oc1cccc(c1)C(C(=O)NC1CCn2c1cnc2)(C)C	EMOLS-id_319586247	285.341	ZEKUYRBFEZGWPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047329
Oc1cccc(c1)C(C(=O)NC1CCn2c1ncc2)(C)C	EMOLS-id_319334622	285.341	HDSQXGMTUQNGIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047330
Oc1cccc(c1)C(N(C(=O)c1cn2c(n1)CCC2)C)C	EMOLS-id_316914091,MCULE-6137565050	285.341	APQCUYSAPFUTQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047331
Oc1cccc(c1)C(N(C(=O)c1nn2c(c1)CCC2)C)C	MCULE-8501010088,EMOLS-id_316867424	285.341	OZRRRZXVHMJRKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047332
O=c1n2n(C(=C)C(C2C)(Cc2ccccc2)C)c(=O)n1C	PC-id_10016792	285.341	ODRSBBRNYCUYGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047333
OCc1ccc(cc1)CCNC(=O)c1n[nH]c2c1CCC2	PC-id_109977456	285.341	TVVCEXZWLUKTML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047334
OC(c1ccccc1C)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111119663	285.341	DIYODIHPYKRKGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047335
OC(c1ccccc1)CCNC(=O)c1n[nH]c2c1CCC2	PC-id_111471670	285.341	SBSVOUVDQQREEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047336
OCc1ccccc1CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319300815	285.341	FGUOGJNKOVJNLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047337
OC(c1cccnc1)CN(C(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_319196124	285.341	TYNOPSNKNVQYEA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047338
O=C(c1cnn2c1CCC2)N1CC(C1c1ccco1)(C)C	MCULE-8857947778,EMOLS-id_316435294	285.341	VSTLUIJOGOSXPW-UHFFFAOYSA-N	00001010101000000001100010000000000000000000000000000000	25-01-047339
O=C(c1[nH]c2c(c1)CCC2)N1CCC(CC1)c1ocnc1	EMOLS-id_319197279	285.341	QSHPBZSRVNYXFN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-047340
O=C(c1occ2c1CCC2)NC[C@@H]1C[C@H]1c1ccnn1C	EMOLS-id_318997617	285.341	SGNNIDNUDSHANH-WCQYABFASA-N	00100010100000000001100010000000000000000000000000000000	25-01-047341
O=C(c1occ2c1CCC2)NCCn1ccc(n1)C1CC1	EMOLS-id_319028967	285.341	SBDFXIZUINLTIH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047342
O=C(c1occ2c1CCC2)N[C@@H]1C[C@H](C1)Cn1cncc1	EMOLS-id_318926191	285.341	MKGONCRBSXJFFI-AULYBMBSSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047343
OC(Cc1ccccc1)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111102707	285.341	CXEPZMHSIWLQDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047344
O=C(Cc1ccc(cc1C)O)NCc1cnc2n1CCC2	EMOLS-id_318860638	285.341	BENTUSIOPNDZOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047345
OCC(c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319662906	285.341	YLDBDNLVNHVFBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047346
O=C(Cc1ccc(cc1C)O)NCc1n[nH]c2c1CCC2	EMOLS-id_320082034,MCULE-4748709308	285.341	RZVLNXNUBQAWIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047347
O=C(C(c1cccc(c1)O)C)Nc1n(C)nc2c1CCC2	MCULE-7992729047,EMOLS-id_316551922	285.341	MJOGASCUJNIJHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047348
O=C(C(c1cccc(c1)O)C)NCc1cnc2n1CCC2	MCULE-8636261188,EMOLS-id_320253248	285.341	DIPARDLACGCBGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047349
O=C([C@](c1ccccc1)(O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318860771	285.341	VDYSJGQZUCSWFP-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047350
O=C(C(c1cccc(c1)O)C)NCc1n[nH]c2c1CCC2	MCULE-2511847715,EMOLS-id_319927456	285.341	JKSOSOBXOGSNCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047351
OCCC(c1ccccc1)NC(=O)c1n[nH]c2c1CCC2	PC-id_112337031	285.341	SHNCCYAMDXMZDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047352
O=C(C(Cc1ccc(cc1)O)(C)C)N1CCn2c1ccn2	EMOLS-id_319218062	285.341	AVAZNFYSWIJKNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047353
O=C([C@H](Cc1ccccc1)O)NCc1cnc2n1CCC2	MCULE-1812555676,EMOLS-id_320238152	285.341	MNTDDMNETFIZJW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047354
O=C([C@H](Cc1ccccc1)O)NCc1n[nH]c2c1CCC2	EMOLS-id_320016364,MCULE-6925366449	285.341	OBDDAHJSLXAFSO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047355
O=C(C(Oc1ccccc1)C)NCc1cnc2n1CCC2	MCULE-9817162729,EMOLS-id_320304961	285.341	UOBWHAYTBXHBOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047356
O=C(C(Oc1ccccc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320074101,MCULE-3990641436	285.341	WTJFXGPVUWWCJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047357
O=C(NC1CC(n2c1ncc2)C)Cc1ccc(cc1C)O	EMOLS-id_319684359	285.341	ZGBBGRBDCLUGRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047358
O=C(NC1CC(n2c1ncc2)C)CCc1cccc(c1)O	EMOLS-id_319484461	285.341	ZVWXENGFQRCDOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047359
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(cc1C)O	EMOLS-id_319651217	285.341	DDARUMZBZWIWHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047360
O=C(Nc1n(C)nc2c1CCC2)CCc1cccc(c1)O	EMOLS-id_319132827	285.341	OLUGWKRCRRFKLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047361
O=C(NCc1cnc2n1CCC2)CCc1ccc(cc1)O	EMOLS-id_319440676	285.341	YRXMCSFMQQNRCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047362
O=C(NCc1cnc2n1CCC2)[C@@H](CO)c1ccccc1	ZINC22_1875284411	285.341	YLDBDNLVNHVFBU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047363
O=C(NCc1cnc2n1CCC2)[C@H](CO)c1ccccc1	ZINC22_1875284413	285.341	YLDBDNLVNHVFBU-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047364
O=C(NCc1cnc2n1CCC2)COc1ccc(cc1)C	EMOLS-id_319005727	285.341	PSFKJGQEUAMMHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047365
O=C(NCc1cnc2n1CCC2)COc1cccc(c1)C	EMOLS-id_319045159	285.341	XKTOGHQQCMFSKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047366
O=C(NCc1cnc2n1CCC2)COc1ccccc1C	EMOLS-id_319725758	285.341	ZFZAKVVQYZQKFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047367
O=C(NCc1n[nH]c2c1CCC2)CCc1ccc(cc1)O	EMOLS-id_319252096	285.341	VZTIWILMTXRIIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047368
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(cc1)C	EMOLS-id_318833664	285.341	YKPXQFQVAXJIGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047369
O=C(NCc1n[nH]c2c1CCC2)COc1cccc(c1)C	EMOLS-id_319812859	285.341	VIESWEMVEMWIIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047370
O=C(N[C@@H](CO)Cc1ccccc1)c1[nH]nc2c1CCC2	ZINC22_252497719	285.341	QODZWBGLHPDTMV-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047371
O(C(=O)C(c1n2CCCc2nn1)c1ccc(cc1)C)CC	PC-id_79482663	285.341	NBHHDEHDWXHLGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047372
O(C(=O)C(c1n2CCCc2nn1)c1c(cccc1)C)CC	PC-id_79482666	285.341	BBTYPQJQTDTVHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047373
O(C(=O)C(c1n2CCCc2nn1)c1cc(ccc1)C)CC	PC-id_79482668	285.341	RKVYGPBYPMDNHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047374
O(C(=O)C(c1n2CCCc2nn1)Cc1ccccc1)CC	PC-id_79482670	285.341	SZLLNYYCJKDGNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047375
OC(=O)CN(Cc1nn2c(c1)CCC2)Cc1ccccc1	EMOLS-id_316597529	285.341	YOMKQMZNLQEZEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047376
COc1ccsc1S(=O)(=O)N1Cc2c[nH]nc2C1	EMOLS-id_177323438,ZINC22_585115212,MCULE-8753477603	285.343	RIILEANFMHJQJO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-047377
c1(c2CCCc2[nH]n1)C(=O)N(C)C(C)Cc1cnccn1	MCULE-1961313799,PC-id_77083918,EMOLS-id_49875804	285.344	IPHYNSQUCLZUSB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047378
c1(CN(C)C(=O)c2cnc(nc2)CC)[nH]nc2CCCc12	PC-id_50952375,ZINC22_67558991,MCULE-4822620629,EMOLS-id_32376176	285.344	ZCYGLWQEWMPLEN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047379
c1(C(=O)NCC2(Cn3ccnc3)CC2)c2CCCc2n[nH]1	PC-id_119065938,MCULE-7576456861,ZINC22_426503240,EMOLS-id_82719583	285.344	HVUWZWQSRLJLET-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047380
Cc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319790953	285.344	FAYXDKAJISFERW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047381
CC1=C/C(=Nc2c(=O)n3n(c2C)CCC3)/C(=C(C1=N)C)N	PC-id_57577977,SCHEMBL3856562	285.344	KOTNWLZGDLZNIK-IKIINYKYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-047382
Cc1cc(N)cc(c1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_104291935	285.344	KIFUKZZRIMZANV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047383
CC1C(=N)C(=CC(=Nc2c(n3CCCn3c2=O)C)C1=N)C	PC-id_91385561	285.344	KBSIHSIIWSUILI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-047384
Cc1c[nH]c(n1)C1(CCC1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319746610	285.344	VBYOJBZOMBKLDI-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-047385
Cc1c[nH]c(n1)C1(CCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319713595	285.344	MPRIGKZXTTUVAG-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-047386
Cc1c[nH]c(n1)C1(CCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319330833	285.344	RLUGPFKURSXSDB-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-047387
Cc1[nH]nc(n1)[C@H]1CCCN1C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319178325	285.344	GHNAGPQDVBHMRW-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047388
Cc1[nH]nc(n1)[C@@H]1CCCN1C(=O)c1[nH]c2c(c1)CCC2	MCULE-3863610957,EMOLS-id_320141808	285.344	GHNAGPQDVBHMRW-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047389
Cc1nn(C2CCC2)cc1C(=O)N=c1cc2n([nH]1)CCC2	MCULE-8146932275,EMOLS-id_324048988,ZINC22_1875295634,PC-id_146077053	285.344	MAYAJBCDDZVZLF-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-047390
CCc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319843171	285.344	ADBUCGDXJZNEHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047391
CCc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319870734	285.344	JGUIAWARPXDKEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047392
CCc1ccncc1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319129506	285.344	QQFAGYJEUUNWFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047393
CC(c1cnn(c1)C1CC1)NC(=O)c1cnn2c1CCC2	MCULE-8654362156,EMOLS-id_320233161	285.344	WDLAESAGTJIKAS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047394
CC(c1cnn(c1)C1CC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319495064	285.344	MZRYYFLRKJHXCY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047395
CC(c1cnn(c1)C1CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319027035	285.344	RQNAYRJITXTEEV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047396
CCc1nc(C)ncc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318965676	285.344	BGCQQQARWWUTIZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047397
CCc1nc(C)ncc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319659657	285.344	IKMIDPHBVFQURU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047398
CCc1nnc(cc1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319432535	285.344	ZMXHFPCFBSXNAB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047399
CCc1nnc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319984379,MCULE-4129915743	285.344	NBNYVOINIXKASZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047400
CCc1nnc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319856431	285.344	BEUJAGUBZXMGKI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047401
CCc1nnc(cc1C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-3433773358,EMOLS-id_320108652	285.344	JHSUTPXGPGIQML-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047402
C#CCCC1(CCC(=O)NCc2cc3n(n2)CCC3)N=N1	ZINC22_952879324	285.344	DAOUATUAPKVJHR-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-047403
CCC(=O)Nc1ccc(cc1)NC1CC(n2c1ncn2)C	EMOLS-id_258183612,MCULE-1662348255	285.344	CAHNYRGAKBYIPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047404
C[C@@H](c1nccnc1C)NC(=O)c1n(C)nc2c1CCC2	MCULE-8438488251,EMOLS-id_320079947	285.344	YZFLTONDSYGQHY-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-047405
C[C@@H](Cc1cnccn1)N(C)C(=O)c1n[nH]c2c1CCC2	PC-id_99930912,ZINC22_215383669	285.344	IPHYNSQUCLZUSB-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-047406
C[C@H](Cc1cnccn1)N(C)C(=O)c1n[nH]c2c1CCC2	PC-id_99930913,ZINC22_215383710	285.344	IPHYNSQUCLZUSB-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047407
CCn1nc(c(c1)C(=O)NC1CCn2c1ncc2)C1CC1	EMOLS-id_319958837,MCULE-3374079673	285.344	AJMRYLNTWXMGSC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047408
CC(Nc1ccc(cn1)C(=O)N1Cc2c(C1)cnn2C)C	MCULE-9698149440,EMOLS-id_318081715	285.344	BVZWBADWKXXSGG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047409
CCNc1cccnc1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319794006	285.344	GJJSYRZMCCZMNU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047410
CCNc1cccnc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318844535	285.344	PVLRAPQATBCRMV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047411
CC(Nc1ncccc1C(=O)N1Cc2c(C1)cnn2C)C	MCULE-7592284216,EMOLS-id_318353006	285.344	OVCXPYGPUUBTAA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047412
CC(=O)N(c1ccc(cn1)NCc1cnc2n1CCC2)C	EMOLS-id_318214821,MCULE-6161379558	285.344	SJFGKYVIURSPRZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047413
Cn1cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)cn1	ZINC22_72255034,PC-id_95752169	285.344	BKMYLELWEZCRGN-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047414
Cn1cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)cn1	ZINC22_72255036,PC-id_95752171	285.344	BKMYLELWEZCRGN-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047415
Cn1cc(C(=O)N2Cc3cnn(C)c3C2)c(C2CCC2)n1	ZINC22_623251682	285.344	MKODIGYDDRHGTE-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-047416
Cn1ncc(c1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-8580735678,EMOLS-id_42873631,PC-id_72146387	285.344	BKMYLELWEZCRGN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047417
Cn1nc(c(c1)C=C1C(C)n2c(C1=O)ncn2)C(C)(C)C	EMOLS-id_278712922	285.344	LYNNJEVKLDYUEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047418
Cn1ncc(c1)[C@@H]1C[C@H]1NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319572391	285.344	OFHSZCBOSBWGKY-WCQYABFASA-N	00100010100000000001100010000000000000000000000000000000	25-01-047419
Cn1nc(c(c1)C(=O)NC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_102240708	285.344	IZHXLTFYRJEGDC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047420
CNc1cccc(c1)C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318105017,MCULE-7038044581	285.344	NXCVNEFIDCHZQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047421
CNc1ccccc1C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318282087,MCULE-7946703948,PC-id_61377859	285.344	APLJUNQRNJKPCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047422
CNc1nc(C)ccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320229296,MCULE-7558061224	285.344	BBNCOTMHCYYDBR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047423
CNc1nc(C)ccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318802083	285.344	NTAGJLNHRFSZFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047424
CNCc1ccccc1CNC(=O)C1NCc2c1c[nH]n2	MCULE-5440624795,EMOLS-id_320173717	285.344	RMZSTHMRLPNYOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047425
CN(Cc1cccc(c1)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_320126609,MCULE-9329154279	285.344	NDOPERLRSHWPHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047426
CN(C)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cn1	PC-id_146125772,ZINC22_299313296	285.344	XSVXRGJDHBZISO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047427
CN(C)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	CoCoCo_4560460,MCULE-8703309941,EMOLS-id_13533030,PC-id_17467481,ZINC22_12548952	285.344	CHHROBGNMREWBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047428
CN(Cc1ccc(nc1)NC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_319247257	285.344	ISDAXTQSOIORJU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047429
CN(Cc1ccc(nc1)NC(=O)c1nn2c(c1)CCC2)C	MCULE-5635217983,EMOLS-id_320067260	285.344	CZOCCBIJHCNOIU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047430
CN(Cc1nn(c2c1CN(C2)C(=O)c1cccnc1)C)C	PC-id_97519158	285.344	SQLXBWWSTRWHHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047431
CN(C)Cc1cccc(NC(=O)N2CCn3ccnc23)c1	EMOLS-id_177348989,MCULE-7419211111,ZINC22_585119122	285.344	SFJBPGBAMDDMJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047432
CN(C)Cc1nn(C)c2c1CN(C(=O)c1ccncc1)C2	ZINC22_96259069,EMOLS-id_44369686,PC-id_97519159	285.344	GRRQLKCZXPPNAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047433
CN(C(=O)c1cccc(c1)NC1CC(n2c1ncn2)C)C	EMOLS-id_318541504,MCULE-4228488549	285.344	BNULWUJXTMQPLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047434
CN(C(=O)c1cn2c(n1)CCC2)CCNc1ccccn1	EMOLS-id_319939508,MCULE-2968037877	285.344	XEMZUZYRMMNIBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047435
CN(C(=O)c1cnc2n1CCC2)CCNc1ccccn1	EMOLS-id_319438266	285.344	LZDYDBUNZIDGRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047436
CN(C(=O)c1nccc(c1)NCc1cnc2n1CCC2)C	MCULE-1886930442,EMOLS-id_318351447	285.344	KMCQUPGDAZLBLC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047437
CN(C(=O)c1nn2c(c1)CCC2)CCNc1ccccn1	EMOLS-id_319465919	285.344	GWKPLVCFJZETFC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047438
CN(C(=O)c1n[nH]c2c1CCC2)CCNc1ccccn1	EMOLS-id_319538323	285.344	RZTBSDKTSAQOAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047439
n1c(CNc2ncnc(C3CC(C3)O)c2)c2c(CCC2)[nH]1	MCULE-7727956481,ZINC22_223345879,EMOLS-id_55695323,PC-id_91792199	285.344	SFKOWFGHZYMRQO-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-047440
NCc1ccc(cc1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_302691037,PC-id_43698117,MCULE-2341347180	285.344	FUNXHCLWKMSOGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047441
NCCc1ccc(cc1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318790541	285.344	FJCOAZXXJDINLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047442
O=C(c1ccc(cn1)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319498143	285.344	XPPJVORCYUHQTM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047443
O=C(c1cccnc1N(C)C)NCc1cnc2n1CCC2	EMOLS-id_318846371	285.344	RWYZMOKJDLILJL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047444
O=C(c1ccc(nc1)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_320084004,MCULE-9467112717	285.344	DWIOOMSSJFIBGS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047445
O=C(c1ccc(nc1)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318921336	285.344	HCDKKSZFOLGPOU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047446
O=C(c1ccnc(c1)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_319111033	285.344	RODIXMJCIJUDCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047447
O=C(c1ccnc(c1)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319532107	285.344	LYWUXDTYUZZTKE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047448
O=C(c1ccnn1C1CCC1)NCc1cnc2n1CCC2	EMOLS-id_318803365	285.344	VOSXBDZWZQITFX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-047449
O=C(c1ccnn1C1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319150382	285.344	IXSDAFHAKPBXSI-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-047450
O=C(c1cc(nn1C)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319244112	285.344	HSQHPQGUDLRQBQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047451
O=C(c1ccnn1CC1CCC1)N1Cc2c(C1)cnn2C	EMOLS-id_316471308,MCULE-3316383469	285.344	MRMMZVQIHZLRCM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047452
O=C(c1ccnn1CC1CCC1)NC1CCn2c1ncc2	MCULE-5588585083,EMOLS-id_319827597	285.344	LRJWDCUZINNEFX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047453
O=C(c1cn2c(n1)CCC2)NC1CC(C1)Cn1cccn1	EMOLS-id_319641734	285.344	XYGRFIXAUWQEGG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047454
O=C(c1cn2c(n1)CCC2)NC1CC(C1)Cn1cncc1	MCULE-5454762200,EMOLS-id_319569685	285.344	WZUGZUCAUKKRQJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047455
O=C(c1cn2c(n1)CCC2)NC[C@@H]1C[C@H]1c1ccnn1C	EMOLS-id_319114398	285.344	ZNLNDDAGIPUPRV-WDEREUQCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047456
O=C(c1cn2c(n1)CCC2)N[C@@H]1C[C@H](C1)Cn1cncc1	EMOLS-id_319569429	285.344	WZUGZUCAUKKRQJ-HAQNSBGRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047457
O=C(c1cnc2n1CCC2)NCCn1ccc(n1)C1CC1	EMOLS-id_319473207	285.344	XNIMNFWMNHTFQN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047458
O=C(c1cncnc1C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319482899	285.344	XUHUVCPAWVTXAE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047459
O=C(c1cnn2c1CCC2)NC[C@@H]1C[C@H]1c1ccnn1C	EMOLS-id_319785169	285.344	LUSTYAJZLXTQIJ-WDEREUQCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047460
O=C(c1cnn2c1CCC2)NCCn1ccc(n1)C1CC1	EMOLS-id_319177149	285.344	DSBRJMBOBQECCV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047461
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H](C1)Cn1cncc1	MCULE-4446276323,EMOLS-id_320043482	285.344	BLPWCESWWVUOBS-HAQNSBGRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047462
O=C(c1cnn(c1C1CC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319929487,MCULE-2212239568	285.344	FALCAOSOIYCVGZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047463
O=C(c1cnn(c1)C1CCCC1)NC1CCn2c1ncc2	EMOLS-id_319317279	285.344	HCWOTDIWOQZSHR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047464
O=C(c1cnn(c1)CC1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_319693029	285.344	HTOYIIGKNQFMCO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047465
O=C(c1cnn(c1)CC1CC1)NCc1cnc2n1CCC2	EMOLS-id_320043783,MCULE-5304354510	285.344	DOYZMWKVFWLRFJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047466
O=C(c1cnn(c1)CC1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319514559	285.344	ZLRRHFMCEYGFSB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047467
O=C(C1NCc2c1c[nH]n2)NCc1ccc(cc1)C(N)C	EMOLS-id_319102058	285.344	SQBJSWFEILTOBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047468
O=C(C1NCc2c1c[nH]n2)NCc1cccc(c1)N(C)C	MCULE-8695300528,EMOLS-id_320192714	285.344	UYCFHKZCVSJUHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047469
O=C(C1NCc2c1c[nH]n2)NCCN(c1ccccc1)C	EMOLS-id_320153742,MCULE-2243409808	285.344	JSIZLRFUKOCQML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047470
O=C(c1nc(C)c(nc1C)C)NCc1cnc2n1CCC2	EMOLS-id_319985660,MCULE-3286467276	285.344	JGTHBFHADJZLAW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047471
O=C(c1nc(C)c(nc1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320136151,MCULE-4948476052	285.344	XKYUBSNXZLUIOJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047472
O=C(c1[nH]c2c(c1)CCC2)N1CCC(C1)c1nncn1C	MCULE-7387902591,EMOLS-id_320009846	285.344	JJGXVPIXWKNRNL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047473
O=C(c1[nH]c2c(c1)CCC2)NC1CC(C1)Cn1ccnn1	EMOLS-id_320216485,MCULE-1610067906	285.344	KXYBXRQMCJVEIU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047474
O=C(c1nn2c(c1)CCC2)NC1CC(C1)Cn1cccn1	EMOLS-id_319897960,MCULE-6206130026	285.344	LBIRDRGWNHCMTQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047475
O=C(c1nn2c(c1)CCC2)NCCn1ccc(n1)C1CC1	EMOLS-id_318936027	285.344	ZMHAVZWNRBSGNV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047476
O=C(c1nn2c(c1)CCC2)N[C@@H]1C[C@H](C1)Cn1cncc1	EMOLS-id_319272469	285.344	PBDALYOEAASJNF-HAQNSBGRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047477
O=C(c1nn(c2c1CN(C2)Cc1cccnc1)C)N(C)C	PC-id_97389057	285.344	ZVUBFXZBFHRPJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047478
O=C(c1nn(c2c1CN(C2)Cc1ccncc1)C)N(C)C	PC-id_97461992	285.344	BTAKJWJIGJFOIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047479
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)n1cccn1	EMOLS-id_35762193,MCULE-6129046737,PC-id_53553051	285.344	WLXSZMMGHQQXJB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-047480
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)n1cncc1	MCULE-6222380985,EMOLS-id_36668857,PC-id_53592173	285.344	OTDARBUACTULQY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-047481
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)n1cncc1	PC-id_138993158,EMOLS-id_320282859	285.344	KYVQFMMHKOVIKD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-047482
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1Cn1cccn1	ZINC22_69925142,PC-id_95342676	285.344	HRQWFABBRXULBZ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-047483
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1Cn1cccn1	ZINC22_69925147,PC-id_95342677	285.344	HRQWFABBRXULBZ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047484
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](n2cccn2)C1	PC-id_95160675,ZINC22_65624265	285.344	WLXSZMMGHQQXJB-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-047485
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](n2cccn2)C1	ZINC22_65624263,PC-id_95160674	285.344	WLXSZMMGHQQXJB-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-047486
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](n2ccnc2)C1	PC-id_95312897,ZINC22_69656683	285.344	OTDARBUACTULQY-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-047487
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](n2ccnc2)C1	ZINC22_69656680,PC-id_95312896	285.344	OTDARBUACTULQY-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-047488
O=C(c1n[nH]c2c1CCC2)NC1CC(C1)Cn1cccn1	MCULE-5401278286,EMOLS-id_320163674	285.344	FUHIQGSFOXJNAX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047489
O=C(c1n[nH]c2c1CCC2)Nc1cnc(nc1)C(C)(C)C	EMOLS-id_98709477	285.344	CDAXENYVTKLYSJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047490
O=C(c1n[nH]c2c1CCC2)Nc1cnn(c1)C(C1CC1)C	EMOLS-id_100684049	285.344	YKJSWSRXJJKSAP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047491
O=C(c1n[nH]c2c1CCC2)NC[C@@H]1C[C@H]1c1ccnn1C	MCULE-8591300167,EMOLS-id_320159701	285.344	AUGGIQXGCUZKDO-GXSJLCMTSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047492
O=C(c1n[nH]c2c1CCC2)NCCn1ccc(n1)C1CC1	EMOLS-id_320000204,MCULE-2645932594	285.344	NXLHEQXDHLHUCN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047493
O=C(c1n[nH]c2c1CCC2)N[C@@H]1C[C@H](C1)Cn1cncc1	MCULE-7450275028,EMOLS-id_320270454	285.344	CTSLPVKWYUGCLQ-XYPYZODXSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047494
O=C(C(c1ccccc1)N)NC(c1nnc2n1CCC2)C	EMOLS-id_302691293,PC-id_43698129,MCULE-8254264967	285.344	ZUWWZYIMFCRMFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047495
O=C([C@H](c1ccccc1)N)NC(c1nnc2n1CCC2)C	PC-id_104897217	285.344	ZUWWZYIMFCRMFT-HQVZTVAUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047496
O=C([C@H](c1ccccc1)N)N(Cc1nnc2n1CCC2)C	PC-id_104897491	285.344	UPIBHBCYIRVSMI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047497
O=C(Cn1ncc(c1)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319739664	285.344	PFBHALZFICBUSZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047498
O=C(Cn1ncc(c1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320156203,MCULE-1973866075	285.344	UAJDTMKSELSHRS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-047499
O=C(N1Cc2c(C1)cnn2C)c1cnn(c1)C1CCCC1	EMOLS-id_319592421	285.344	ZMENNJXVNGBQKR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047500
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1c(C)cccc1C	EMOLS-id_319619026	285.344	MPTPPVAPONGNTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047501
O=C(N1Cc2c(C1)n(nc2Cn1cccn1)C)CC1CC1	PC-id_97519211	285.344	ZYAHIKGPYCTOKS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047502
O=C(N1C(CCC1)Cn1nccc1)c1n[nH]c2c1CCC2	PC-id_53618135	285.344	HRQWFABBRXULBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047503
O=C(N1CCn2c1ncc2)c1cnn(c1)CC1CCCC1	MCULE-2420208228,EMOLS-id_320249157	285.344	UXJVHCSBIKPMEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047504
O=C(N)c1ccc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_43791519	285.344	AQFMDLWFORKFBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047505
O=C(N)c1cc(CNC(c2n3CCCc3nn2)C)ccc1	PC-id_63001990	285.344	DMMRMSHYSBVKJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047506
O=C(NC1CC(n2c1ncc2)C)Nc1cc(C)cc(n1)C	EMOLS-id_101388988	285.344	VKQAFYCWWIFFAH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047507
O=C(NC1CC(n2c1ncc2)C)Nc1ccc(nc1C)C	EMOLS-id_101480690	285.344	SIJYOMPZXJXLLM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047508
O=C(NCc1cnc2n1CCC2)CCc1ccnc(n1)C	EMOLS-id_319113575	285.344	ODFIZFAMIFPXIC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047509
O=C(N(Cc1n2CCCc2nn1)C)c1ccc(cc1)CN	PC-id_60963592	285.344	UHGSXIZUVJCFEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047510
O=C(N(Cc1n2CCCc2nn1)C)c1c(cccc1N)C	PC-id_61110491	285.344	GPRCZESIRJLKFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047511
O=C(N(Cc1n2CCCc2nn1)C)c1c(ccc(N)c1)C	PC-id_61290050	285.344	QFABIFCWAOBPNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047512
O=C(NC(c1n2CCCc2nn1)C)c1cc(c(N)cc1)C	PC-id_43698148	285.344	CEAARGXTYYAKQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047513
O=C(N(Cc1n2CCCc2nn1)C)c1cc(c(N)cc1)C	PC-id_60962505	285.344	RXOVJHJMFBTLFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047514
O=C(N(Cc1n2CCCc2nn1)C)c1c(cc(N)cc1)C	PC-id_61827540	285.344	JTOMXVLWELNQPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047515
O=C(NC(c1n2CCCc2nn1)C)c1cc(N)c(cc1)C	PC-id_43698128	285.344	JBXPWVLRGAYBFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047516
O=C(N(Cc1n2CCCc2nn1)C)c1cc(N)c(cc1)C	PC-id_60963938	285.344	VQWGFVPSYGSFOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047517
O=C(N(Cc1n2CCCc2nn1)C)c1c(c(N)ccc1)C	PC-id_61110304	285.344	CUXUJGHKTBDVOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047518
O=C(NC(c1n2CCCc2nn1)C)c1c(c(N)ccc1)C	PC-id_81605788	285.344	QGQKGNRMIMFWCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047519
O=C(N(Cc1n2CCCc2nn1)C)c1c(N)c(ccc1)C	PC-id_61110306	285.344	UTIHZOUYLDCGOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047520
O=C(N(Cc1n2CCCc2nn1)C)c1c(N)ccc(c1)C	PC-id_64340435	285.344	RWXJRNSRANZCNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047521
O=C(NC(c1n2CCCc2nn1)C)c1c(N)ccc(c1)C	PC-id_64340615	285.344	KKECSZQLUBEOFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047522
O=C(NC(c1n2CCCc2nn1)C)c1c(NC)cccc1	PC-id_61377301	285.344	XBKYXJSIOKGDDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047523
O=C(NC(c1n2CCCc2nn1)C)Cc1ccc(N)cc1	PC-id_43698124	285.344	IDZVZDLCKJXIMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047524
O=C(N(Cc1n2CCCc2nn1)C)Cc1ccc(N)cc1	PC-id_60963814	285.344	QCUNYKGZXMEIBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047525
O=C(N(Cc1n2CCCc2nn1)C)Cc1cc(N)ccc1	PC-id_62500006	285.344	CQYWZBIRYMAWRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047526
O=C(NC(c1n2CCCc2nn1)C)Cc1cc(N)ccc1	PC-id_65350243	285.344	SBTFXLYGDCPCMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047527
O=C(N(Cc1n2CCCc2nn1)C)Cc1c(N)cccc1	PC-id_61110305	285.344	PGYIDIHRRCICMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047528
O=C(NC(c1n2CCCc2nn1)C)CCc1cccnc1	PC-id_78870883	285.344	ZAAPIOBCDSMTDV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047529
O=C(NC(c1n2CCCc2nn1)C)[C@H](N)c1ccccc1	PC-id_61155126	285.344	ZUWWZYIMFCRMFT-JLOHTSLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047530
O=C(N(Cc1n2CCCc2nn1)C)[C@H](N)c1ccccc1	PC-id_61163595	285.344	UPIBHBCYIRVSMI-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047531
O=C(NC(c1n2CCCc2nn1)C)CNc1ccccc1	MCULE-7455619727,PC-id_60862266,EMOLS-id_302645968	285.344	WIPQFWKVKFICND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047532
O=C(N(Cc1n2CCCc2nn1)C)CNc1ccccc1	PC-id_60962728	285.344	ZGYHCDOKARMXOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047533
O=C(N(Cc1n2CCCc2nn1)C)C(N)c1ccccc1	PC-id_60964043	285.344	UPIBHBCYIRVSMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047534
O=C(NCc1n2CCCc2nn1)Nc1cc(cc(c1)C)C	PC-id_60446392	285.344	PMNJWRDKARWZQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047535
O=C(NCc1n2CCCc2nn1)Nc1c(ccc(c1)C)C	PC-id_60447038	285.344	XYIJKPCYOOGWHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047536
O=C(NCc1n2CCCc2nn1)Nc1c(c(ccc1)C)C	PC-id_60447137	285.344	PLTTWYSMQOTQFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047537
O=C(NCc1n2CCCc2nn1)Nc1c(cc(cc1)C)C	PC-id_60447173	285.344	LWSYVJAHEIIAER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047538
O=C(NCc1n2CCCc2nn1)Nc1cc(c(cc1)C)C	PC-id_60447234	285.344	OTPCKTHNTHEWFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047539
O=C(NCc1n2CCCc2nn1)Nc1c(cccc1C)C	PC-id_60449011	285.344	JHIQZBYRUQMXFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047540
O=C(NCc1n2CCCc2nn1)Nc1ccc(CC)cc1	PC-id_60446510	285.344	GTTRJYFZJNGBMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047541
O=C(NCc1n2CCCc2nn1)Nc1cc(CC)ccc1	PC-id_60446813	285.344	NCOWXQKRBUTDHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047542
O=C(NCc1n2CCCc2nn1)Nc1c(CC)cccc1	PC-id_60448969	285.344	UFTZXXSVWLZOMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047543
O=C(NCc1n2CCCc2nn1)N(Cc1ccccc1)C	PC-id_52380246	285.344	APQTUPZGOLIDBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047544
O=C(NCCc1n2CCCc2nn1)CCc1ncccc1	PC-id_60600060	285.344	OAWYYYYHUYFDFP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047545
Cc1nnc(s1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477482	285.346	RHAJXOMJMOGFBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047546
CN(c1nncs1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_333439280	285.346	LKECFUIOIXUZLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047547
Nc1n[nH]cc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_54963176,EMOLS-id_314140444	285.346	VMVAYCGNAZHTFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047548
O=C(c1sc2c(c1)CCC2)N1CCC(C(C1)C)(F)F	EMOLS-id_102452910	285.353	WQLFGOMEYDZRNF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047549
c12CN(Cc1sc(OC)c2CO)C(=O)OC(C)(C)C	MCULE-7589305037,EMOLS-id_331066658	285.359	LEMOORQRBUXISH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047550
CC(c1nn2c(c1)CCC2)NC1(CC1)c1ccccc1F	MCULE-2603472562,EMOLS-id_318027668	285.359	PXIPMBDZFLHESD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047551
CC(c1nn2c(c1)CCC2)N[C@@H]1C[C@H]1c1ccccc1F	MCULE-1375633603,EMOLS-id_320258356	285.359	ORPXRXWJBCKOJQ-IBMBOUKDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047552
Fc1cccc(c1)C1(CC1)NC(c1nn2c(c1)CCC2)C	MCULE-5927975749,EMOLS-id_318307078	285.359	JTLZDIAVEAAXOA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047553
Fc1ccc(cc1)C1(CC1)NC(c1nn2c(c1)CCC2)C	MCULE-8129798330,EMOLS-id_318135185	285.359	VLINZLPSEMCOHO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047554
Fc1ccc(cc1)C1(CCC1)CNC1CCn2c1ncc2	EMOLS-id_318363190,MCULE-3306733559	285.359	NTMXBKKNZFZVSF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047555
Fc1ccccc1C1(CCC1)CNC1CCn2c1ncc2	MCULE-6727080687,EMOLS-id_318366688	285.359	KZARDDRBOGKYKC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047556
Fc1cccc(c1)C1(CCC1)CNC1CCn2c1ncc2	MCULE-9155858528,EMOLS-id_318634211	285.359	VOVPJHFCXOCMTK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047557
Fc1cccc(c1)C1CC(C1)NC1CC(n2c1ncc2)C	MCULE-2172626586,EMOLS-id_318169227	285.359	PJLDGZRYMBSGCS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047558
Fc1ccc(cc1)C1(CCC1)NC1CC(n2c1ncc2)C	MCULE-9406971241,EMOLS-id_318117521	285.359	HMDUVADZHZEMIM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047559
Fc1ccc(cc1)C1(CCC1)NCc1cnc2n1CCC2	MCULE-8079612504,EMOLS-id_318107215	285.359	ABMSGRKWLKUALD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047560
Fc1cccc(c1)C1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318012567,MCULE-6282550910	285.359	HJGUAHBZQMRCNZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-047561
Fc1ccc(cc1)C1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318187331,MCULE-9610637419	285.359	PECLANYWKWWVII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-047562
Fc1ccccc1C1CCC(C1)NC1CCn2c1ncc2	MCULE-5011552890,EMOLS-id_318757651	285.359	JHHOKNLADJARPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-047563
Fc1cccc(c1)C1(CNC2CC(n3c2ncc3)C)CC1	MCULE-4321305250,EMOLS-id_318242079	285.359	JWRUBYVTZICLQC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047564
Fc1ccc(cc1)C1(CNC2CC(n3c2ncc3)C)CC1	MCULE-9636190629,EMOLS-id_318363443	285.359	JWNRGUBQDUDNNK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047565
Fc1ccc(cc1)CC1(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318245196,MCULE-7774854950	285.359	IEIPYJAGHNCFRN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-047566
Fc1ccc(cc1)C(C1CCC1)NC1CCn2c1ncc2	EMOLS-id_318083834,MCULE-1862705883	285.359	JBLPVGDRTDVFDW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-047567
Fc1ccc(cc1C)C(C1CC1)NC1CCn2c1ncc2	MCULE-4118847926,EMOLS-id_318143724	285.359	LTUVEDHZZRJMGK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-047568
Fc1cccc(c1)[C@@H]1C[C@H](C1)NC1CC(n2c1ncc2)C	EMOLS-id_320097764	285.359	PJLDGZRYMBSGCS-LSWPANJSSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047569
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NC1CC(n2c1ncc2)C	EMOLS-id_320327570,MCULE-6427483168	285.359	IQTISXPVYVXYOG-LSWPANJSSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047570
Fc1ccccc1[C@@H]1C[C@H](C1)NC1CC(n2c1ncc2)C	MCULE-1836692496,EMOLS-id_319972278	285.359	YJZVTCCUEQUNFE-FAGLJEBYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047571
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NCc1cnc2n1CCC2	EMOLS-id_320129249,MCULE-3457832391	285.359	YDYWMAPARMSSTE-CTYIDZIISA-N	00001010100000110001100010000000000000000000000000000000	25-01-047572
Fc1ccccc1[C@@H]1C[C@H](C1)NCc1cnc2n1CCC2	EMOLS-id_320217310,MCULE-8120008187	285.359	GHWFBEIBEIKAAQ-JOCQHMNTSA-N	00001010100000110001100010000000000000000000000000000000	25-01-047573
Fc1cccc(c1)[C@@H]1C[C@H](C1)NCc1cnc2n1CCC2	EMOLS-id_320224364,MCULE-9503329958	285.359	GSQOURNUCQNLCI-CTYIDZIISA-N	00001010100000110001100010000000000000000000000000000000	25-01-047574
Fc1ccc(cc1CNC1CC(n2c1ncc2)C)C1CC1	MCULE-6314652541,EMOLS-id_318101399	285.359	RTJUMXKMBHPENL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-047575
s1c2C(OC(c2n(CCCC(=O)O)c1=O)(C)C)(C)C	PC-id_79927769	285.359	JBXOCFSGCXFPFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047576
C/C=CC1=C(c2c(C1C(C#N)C(=O)O)scc2)/C=CC	SCHEMBL20243904,PC-id_134590790	285.361	UVXDKHLAHJRTIL-GLIMQPGKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-047577
CC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCC2	ZINC22_6785188,PC-id_4792747,CoCoCo_3249297,MCULE-4528056853,EMOLS-id_3442021	285.361	DRHAPSOQNHCHLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047578
CC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	PC-id_9095675,MCULE-6262084066,ZINC22_7968729,EMOLS-id_16787456,CoCoCo_3358501	285.361	UEXWNNARODOPMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047579
CC(=O)CC1N(Cc2ccccc2)C(=O)c2c1scc2	PC-id_101912356	285.361	LSBOINXTCTWGRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047580
COC(=S)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL11134547,PC-id_20492846	285.361	QTLKFYGEVNRSCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047581
NC(=O)C1CCc2c1sc(c2C(=O)c1ccccc1)C	SCHEMBL10747482,PC-id_13588846	285.361	YDPPMNLVFLDABC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047582
OC(=O)C1CCn2c1ccc2C(=S)c1ccc(cc1)C	SCHEMBL9792198,PC-id_20073606	285.361	UMCNHWZYVHLIRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047583
OC(=O)Cc1ccc(cc1)C=Cc1sc2c(n1)CCC2	MCULE-1024562787,EMOLS-id_318524963	285.361	YHXIYLLOOCNMAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047584
s1c2CCCc2cc1C(=O)c1ccc(N(C)C=O)cc1	PC-id_43463647	285.361	UJLHIHKIWRTLHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047585
s1c2CCCc2cc1C(=O)c1ccc(NC(=O)C)cc1	PC-id_43462735	285.361	AXLFOHZLGHYVPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047586
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)C	PC-id_8712760	285.361	KUVADNRYLMQYFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047587
s1c2CCCc2cc1C(=O)NCC(=O)c1ccccc1	PC-id_64992010	285.361	CWSODUVQEKRFTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047588
s1c2c(CCC2)c(c1N=Cc1ccccc1)C(=O)OC	PC-id_23823288	285.361	WEQUYDLOSDOSBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047589
CC1(C)CCOC1CS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320012827,MCULE-6083626609	285.363	VXCVHFVAINOLJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047590
CC1(CCCOC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226563	285.363	YFVRXNOVVUJCNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047591
CC1(CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231357	285.363	WLJKWECTBLPIDW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047592
CC1(C)COCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188546	285.363	IUVSDJREXMOVHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047593
CC1(COCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100227325	285.363	VHWVTWLQMGDJFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047594
CC1OCCC1(C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100215601	285.363	QWVNYDZSNOTIJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047595
CC1OCCC(C1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319710196	285.363	PJUPYRINWTZLDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047596
CC1OCCC(C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221634	285.363	AUBNMMOFCJOETA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047597
CC1OCCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224781	285.363	UFYSFMYJWAJFSI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-047598
CC1(O)CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226425	285.363	VPBGKRCHUCMLPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047599
CC1OCCN(C1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223590	285.363	HWMKYPMNCKJIRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047600
CC1OCC(N(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100186416	285.363	LAKZOARSWIPVNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047601
CC1(O)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240846	285.363	GSUJBSBURCXSNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047602
CCC1CN(CC1O)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100216528	285.363	RRSNOLGVORZREC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047603
CC(C1COCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99597507	285.363	QZRXGFUSQUPWGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047604
CCC1COCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100174352	285.363	IZNSCVUWAFNBHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047605
CCC1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184304	285.363	RELAECZNJZIYOB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047606
CCC(C(=O)NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_110375539	285.363	IAOCPKQIIOAPJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047607
CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101952672	285.363	NXNBIJAAWKKMII-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047608
CCC(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C	CoCoCo_4982145,PC-id_5124216,ChEMBL-DNDi_CHEMBLF0541-0002	285.363	XRLJGSHEKXAENT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047609
CC(C)S(=O)(=O)CC(=O)Nc1c2c(nn1C)CCC2	ZINC22_331382638,EMOLS-id_316832154,MCULE-4922904539	285.363	JYZDKXRCOHCOIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047610
C[C@@H]1CCO[C@@H]1CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319331643	285.363	FUVHFKUZVDJECI-BXKDBHETSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047611
C[C@@H]1O[C@H](C)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221568	285.363	IPUSSOJBKVYBGB-AOOOYVTPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047612
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319496749	285.363	LLFVSAYSAOOKLR-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-047613
Cn1ncc2c1CN(C2)S(=O)(=O)CC1CCCCO1	EMOLS-id_316646436	285.363	MBTTXSPYZYBVJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047614
Cn1ncc2c1CN(C2)S(=O)(=O)CCOCC1CC1	EMOLS-id_316614989	285.363	LYPFAJUOWJVRTG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047615
CN(S(=O)(=O)c1cnc2n1CCC2)CC1COCC1	EMOLS-id_100233586	285.363	OZMOTQWAXIPKDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047616
CN(S(=O)(=O)c1cnc2n1CCC2)CC1(O)CCC1	EMOLS-id_100242457	285.363	GXVPBJUVYGIRBW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047617
COC1(CCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226494	285.363	AAELRYSRQCKGIG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047618
COC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100232242	285.363	FTBRSGHFNJIHTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047619
COCC1(CCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98198233	285.363	XXSOVRFUSCPXFW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047620
COC[C@@]1(C[C@@H]1C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319831913	285.363	CCQOYPGPIXLHFD-JOYOIKCWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047621
COCC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224775	285.363	UOEWWETYPAOKAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047622
CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101329692	285.363	GKNOZMMYTUBBME-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047623
CO[C@@H]1C[C@@H](C1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_98569722	285.363	NDHPEDGBPLLOIV-AOOOYVTPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047624
OC1CC(C1(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100591036	285.363	YSMLJQXRXSEFOX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047625
OC1CC(C1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100793457	285.363	GYUPQFIOGVTYDJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047626
OC1(CCC1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98199595	285.363	CXKLJUNIHQOIHU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047627
OC1CCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100161318	285.363	NCCJQHZSOUCWFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047628
OC1(CCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176392	285.363	VDJSDFORQRQOEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047629
OC1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98039793	285.363	MYDCNFMWQJTVLQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-047630
OC1CN(CC1(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101249173	285.363	MCEXYHSNYLZGOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047631
OC(C1CCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101330088	285.363	WJXUWSBMTJGTCR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047632
OCC1C(C)CCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101102228	285.363	ZMOBJPGXBZTCLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047633
OCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100227232	285.363	AVLRGNJDFWGQGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047634
OCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100232218	285.363	LGERNZKWVWDAAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047635
OCCC1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100614806	285.363	PDLSIQBMMQSINE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047636
OC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101312797	285.363	JOIZQHHMWKZMMP-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047637
OCCN(S(=O)(=O)c1cnc2n1CCC2)C1CCC1	EMOLS-id_101115621	285.363	OBAALFVYPSPNMW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-047638
O[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101328093	285.363	UHMKEJORVIRPCV-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047639
O[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101794196	285.363	UHMKEJORVIRPCV-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047640
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)C)CC(C)(C)C	PC-id_141641448	285.363	OMIUADJSGKMIQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047641
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC(C)(C)C	EMOLS-id_112057194	285.363	VVHUHPYNPZVXML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047642
O=S(=O)(c1cnc2n1CCC2)NC1CCOCCC1	EMOLS-id_100226470	285.363	ITUVAQISRPURDB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-047643
O=S(=O)(c1cnc2n1CCC2)NCC1CCCCO1	EMOLS-id_100190679	285.363	WYLLGGRZJMVRJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047644
O=S(=O)(c1cnc2n1CCC2)NCC1CCCOC1	EMOLS-id_100199166	285.363	GKAQTHLCAXWYHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047645
O=S(=O)(c1cnc2n1CCC2)NCC1CCOCC1	EMOLS-id_100188531	285.363	DZNZYKDXANDWLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047646
O=S(=O)(CC1COCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318789317	285.363	DZPGBOSAUNZUQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047647
O=S(=O)(N1CCn2c1ncc2)CCC1CCCOC1	EMOLS-id_319642880	285.363	KSZRGYDWZITVNA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047648
CCc1nc2s/c(=Cc3ccc(CC)cc3)/c(=O)n2n1	EMOLS-id_324844260	285.364	WKSIHSGNYRZQAD-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047649
CC(C)c1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1	EMOLS-id_324841451	285.364	AKULDXRSNMMDRW-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047650
CCCc1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324843247	285.364	AQVZBJAQIMNACO-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047651
CC(C)c1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324849384	285.364	YBGHGBRAAZABJI-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047652
CCCc1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324842223	285.364	NLKFUKWCWCJWNA-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047653
CCCc1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324844781	285.364	GXYJWVBSSMKDPB-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047654
CC(C)c1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324846823	285.364	PWQAHFXENANKTN-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047655
CC(C)c1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324848360	285.364	LEJFHEBOWNOHCA-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047656
CC(C)(C)c1ccc(/C=c/2sc3ncnn3c2=O)cc1	ZINC22_16265905,EMOLS-id_2454372,ChEMBL-DNDi_CHEMBL5629-0248	285.364	HOTMBZVRAZMWAP-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047657
CC(C)(C)c1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_208228	285.364	HOTMBZVRAZMWAP-XYOKQWHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047658
CC(C)(C)c1ccc(C=c2sc3ncnn3c2=O)cc1	ZINC22_254738703,MCULE-6822222293,EMOLS-id_300026717	285.364	HOTMBZVRAZMWAP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047659
CC(C)(C)c1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324852448	285.364	NEYWURVEDOVUAJ-LUAWRHEFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047660
CC(C)Cc1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324854509	285.364	XMQLWLSAHBHPGS-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047661
n12c(=O)c(=Cc3ccccc3C)sc1nc(C(C)C)n2	MCULE-7402353231	285.364	YBGHGBRAAZABJI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047662
n12c(=O)c(=Cc3ccccc3)sc1nc(C(C)(C)C)n2	MCULE-9367549999	285.364	NEYWURVEDOVUAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047663
n12c(=O)c(=Cc3ccc(C)cc3)sc1nc(C(C)C)n2	MCULE-2115874479	285.364	PWQAHFXENANKTN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047664
n12c(=O)c(=Cc3cccc(C)c3)sc1nc(C(C)C)n2	MCULE-4024339032	285.364	LEJFHEBOWNOHCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047665
n12nc(nc1sc(=Cc1ccccc1)c2=O)CC(C)C	MCULE-3814986787	285.364	XMQLWLSAHBHPGS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047666
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)CCC	MCULE-1239789657	285.364	GXYJWVBSSMKDPB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047667
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCC	MCULE-8110034674	285.364	AQVZBJAQIMNACO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047668
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)CC	MCULE-2087839702	285.364	WKSIHSGNYRZQAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047669
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCC	MCULE-3520371903	285.364	NLKFUKWCWCJWNA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047670
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)C	MCULE-9882958818	285.364	AKULDXRSNMMDRW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-047671
N#Cc1ccc(c(c1)NCc1sc2c(n1)CCC2)OC	EMOLS-id_318689047,MCULE-1522372560	285.364	NPNMJYHQVAZFAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047672
[nH]1cccc1CCC(=O)Nc1sc2CCCc2c1C#N	MCULE-2535216041,EMOLS-id_328232062	285.364	PVPXDOMOOCVFSS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-047673
O=C(c1nccc(c1)C1CC1)Nc1sc2c(n1)CCC2	MCULE-7590051823,EMOLS-id_320092390	285.364	OGCNENYTXKCJKG-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-047674
O=C(Nc1cnc(C2CC2)nc1)c1cc2c(s1)CCC2	ZINC22_84338893,PC-id_71879413,EMOLS-id_44565038,MCULE-7283062676	285.364	FUHMWESTGFTUNA-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-047675
s1c2CCCc2cc1C(=O)NN=C(c1cccnc1)C	PC-id_85015498	285.364	QTFHUSWHYANJSF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047676
s1c2CCCc2cc1C(=O)N/N=C(c1cccnc1)/C	PC-id_9462484	285.364	QTFHUSWHYANJSF-YVLHZVERSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047677
s1c2CCCc2cc1C(=O)NN=C(c1ccncc1)C	PC-id_85015496	285.364	HVUXQSJFPOVHMW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047678
s1c2CCCc2cc1C(=O)N/N=C(c1ccncc1)/C	PC-id_9462482	285.364	HVUXQSJFPOVHMW-YVLHZVERSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047679
s1c2CCCc2cc1C(=O)NN=C(c1ncccc1)C	PC-id_85015495	285.364	IADDWNXVDRWEBY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047680
s1c2CCCc2cc1C(=O)N/N=C(c1ncccc1)/C	PC-id_9462481	285.364	IADDWNXVDRWEBY-YVLHZVERSA-N	00000010100000101000000010000000000000000000000000000000	25-01-047681
s1c2CNCc2nc1NC(=O)/C=C/c1ccc(cc1)C	PC-id_82194056	285.364	QRMVRAYKXODXCQ-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047682
s1c2CN(Cc2nc1N)C(=O)/C=C/c1ccc(cc1)C	PC-id_82194168	285.364	JTSRLPCXFOCEQP-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047683
S1c2n(nc(n2)/C=C/c2ccc(C(C)C)cc2)C(=O)C1	PC-id_82357985	285.364	DRGCDFAZELPJBJ-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047684
CC(c1nnc2n1CCC2)NS(=O)(=O)N1CCCC1	EMOLS-id_98765547	285.366	SRMAMAOQIZFSKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047685
c1(Cn2ccnc2c2ccc(C)s2)nnc2CCCn12	EMOLS-id_331111472,MCULE-7552962841,ZINC22_1875249844	285.367	FHSUFJIDFNGGJI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-047686
c1(Cn2ccnc2c2sccc2C)nnc2CCCn12	PC-id_56869815,MCULE-4465482528,ZINC22_71747185,EMOLS-id_43117901	285.367	GDFDXGNFPDLXSK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-047687
CCc1nc(NCc2sc3c(n2)CCC3)cc(n1)C#N	MCULE-6093238535,EMOLS-id_318663772	285.367	SONUKSMOKUYQBK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047688
N#Cc1c(NCc2sc3c(n2)CCC3)nnc(c1C)C	MCULE-4502326027,EMOLS-id_318603703	285.367	LTMYBOZUHHTOAQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047689
N#Cc1c(NCCc2sc3c(n2)CCC3)ccnc1N	EMOLS-id_319788616	285.367	FNAOECMCXQHFSM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047690
[NH+]1(CCN(CC1)c1ncccn1)Cc1n[nH]c2c1CCC2	PC-id_28731046	285.367	AYNVZVDJXWRBFA-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-047691
c1(C(N)c2ccc(cc2)OC)c2CCCc2oc1CCC	PC-id_83610376,MCULE-8993287791	285.381	QSIWFEBVEVYAFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047692
c1(C(N)c2ccc(cc2)OCCC)c2CCCc2oc1C	PC-id_83610149,MCULE-4077673504	285.381	UBDYDSQMYARBPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047693
c1(C(N)c2cc(C)ccc2C)c2CCCc2oc1COC	MCULE-1717776376,PC-id_83610074	285.381	VILVTUDLGDVBDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047694
o1c2c(CCC2)c(c1C(C)C)C(N)c1ccc(OC)cc1	PC-id_83610304	285.381	BONGLPYTDMCGME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047695
o1c2c(CCC2)c(C(N)c2ccc(cc2)CC)c1COC	PC-id_83610070	285.381	UUMHOUDDWDJBLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047696
o1c2c(CCC2)c(C(N)c2c(cc(cc2)C)C)c1COC	PC-id_83610072	285.381	JDUUXUWTSOSZOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047697
o1c2c(CCC2)c(C(N)c2cc(c(cc2)C)C)c1COC	PC-id_83610073	285.381	DFKVPOUGWHLERX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047698
o1c2c(CCC2)c(C(N)c2cc(c(OC)cc2)C)c1CC	PC-id_83610232	285.381	SWWAUFGOMJTZCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047699
o1c2c(CCC2)c(C(N)c2ccc(OCC)cc2)c1CC	PC-id_83610227	285.381	BHKHFTHFCLCMPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047700
o1c2c(CCC2)c(C(N)c2c(OC)ccc(c2)C)c1CC	PC-id_83610234	285.381	DCKNREKTBWUUFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047701
C=CCC1(Cc2c(S1(=O)=O)scc2)C(=O)NCC	PC-id_19759865,SCHEMBL9459071	285.382	YLBDJZCICARNKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047702
CCOC(=O)c1c(NC(=O)CS)sc2c1CCC2	SCHEMBL5804329,PC-id_87894214	285.382	JXKRSLFDACWTAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047703
O=C(c1cc2c(s1)CCC2)N1CCS(=O)(=O)CC1	PC-id_72024183,MCULE-3515059867,EMOLS-id_102416101,ZINC22_98009425	285.382	FOTRRUZPZMBHFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047704
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)C1(C)CC1	EMOLS-id_111611311	285.382	HTCSKLBEAWHFPL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-047705
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)C1CCC1	EMOLS-id_112075610	285.382	MLRDUIOALADCNQ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-047706
O=C(NCc1sc2c(c1)CCC2)CSCC(=O)O	PC-id_113427757,EMOLS-id_315117022	285.382	PATHATQXFWIPAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047707
OC(=O)CSCCNC(=O)c1sc2c(c1)CCC2	PC-id_119241507	285.382	XYTCLVNXAALBAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047708
S1(=O)(=O)Cc2c(sc(C(=O)NC3CCCC3)c2)C1	PC-id_6623220	285.382	VWRJFVRQMYZGGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047709
SCCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_114212543	285.382	CGOJMJPRPUVNNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047710
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)OCCC	EMOLS-id_330961142,MCULE-4295675378	285.384	ZGRHBGATCPHVMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047711
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)OC(C)C	EMOLS-id_330961398,MCULE-7014905029	285.384	ZCWSGWGZGUTGCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047712
c12CN(Cc1nn(C(C)(C)C)c2CO)Cc1ccccc1	MCULE-1151211821,EMOLS-id_324348780	285.384	SEQSGLBMRJWYPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047713
C1CCN(C(CC1)c1ccco1)Cc1cnc2n1CCC2	EMOLS-id_318149807	285.384	FCOCKNSASZYVLA-UHFFFAOYSA-N	00000010101000000101100010000000000000000000000000000000	25-01-047714
CC(c1ccc(cc1)C(O)(C)C)NC1CCn2c1ncc2	EMOLS-id_319845969	285.384	RECGDQKUQDNJSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047715
CC(C)c1ccc([C@H](CO)N[C@@H]2CCn3ccnc23)cc1	ZINC22_1875288336	285.384	XLCDPCBGFYZREN-CVEARBPZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047716
CC(C)c1ccc([C@H](CO)N[C@H]2CCn3ccnc23)cc1	ZINC22_1875288337	285.384	XLCDPCBGFYZREN-HOTGVXAUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047717
CC(C)c1ccc([C@@H](CO)N[C@@H]2CCn3ccnc23)cc1	ZINC22_1875288338	285.384	XLCDPCBGFYZREN-HZPDHXFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047718
CC(C)c1ccc([C@@H](CO)N[C@H]2CCn3ccnc23)cc1	ZINC22_1875288339	285.384	XLCDPCBGFYZREN-JKSUJKDBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047719
CC[C@H](CN[C@H]1CCn2ccnc12)Oc1ccccc1C	ZINC22_296861996	285.384	NOZRXFJMBHMYML-CABCVRRESA-N	00000010100000110001000010000000000000000000000000000000	25-01-047720
CC[C@@H](CN[C@H]1CCn2ccnc12)Oc1ccccc1C	ZINC22_296862001	285.384	NOZRXFJMBHMYML-GJZGRUSLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047721
CC[C@H](CN[C@@H]1CCn2ccnc12)Oc1ccccc1C	ZINC22_296862004	285.384	NOZRXFJMBHMYML-HUUCEWRRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047722
CC[C@@H](CN[C@@H]1CCn2ccnc12)Oc1ccccc1C	ZINC22_296862009	285.384	NOZRXFJMBHMYML-LSDHHAIUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047723
CC(CN(Cc1cnc2n1CCC2)Cc1ccccc1)O	EMOLS-id_318204068	285.384	AMNJOJPSSIFABY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047724
CCC(Oc1ccccc1C)CNC1CCn2c1ncc2	EMOLS-id_316917866,MCULE-1505249884	285.384	NOZRXFJMBHMYML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047725
CC(COc1ccccc1NCc1cnc2n1CCC2)C	EMOLS-id_318392323	285.384	ZIXWDHVTKAMPGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047726
CCCOc1ccc(Cn2nc3CCC(C)c3c2N)cc1	EMOLS-id_331010211,MCULE-1598706189	285.384	SABNYWALYVCISY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047727
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2N)cc1	MCULE-3371178486,EMOLS-id_331010467	285.384	DNPVBEKNGUFKOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047728
C=CC(=O)N(CC1=CCCCC1)Cc1cnn2c1CCC2	ZINC22_1875388953	285.384	WKRIBAMXNOFRDJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-047729
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1N	MCULE-5405290229,EMOLS-id_331013546	285.384	GBGKTRANDDEJDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047730
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1N	MCULE-5886945700,EMOLS-id_331010733	285.384	CNXBWDQSTPHFBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047731
CCOc1ccccc1Cn1nc2CCC(C)c2c1CN	MCULE-5994388483,EMOLS-id_330997177	285.384	FRACMODTNWBBBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047732
CCOc1ccccc1Cn1nc(CN)c2C(C)CCc12	EMOLS-id_331011327,MCULE-1192321264	285.384	WEPXVRKZICEDDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047733
CC(Oc1ccc(cc1)CNC1CCn2c1ncc2)(C)C	MCULE-1411666067,EMOLS-id_318282283	285.384	VUHAYVRVLFHPCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047734
CC(Oc1ccccc1NCc1cnc2n1CCC2)(C)C	MCULE-6345185978,EMOLS-id_318390027	285.384	DPIJROFSLGLYHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047735
CCOc1ccc(Cn2nc3CCC(C)c3c2CN)cc1	EMOLS-id_330995640,MCULE-3066544278	285.384	YEEUIOWBEZWKHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047736
CCOc1ccc(Cn2nc3CCC(C)c3c2N)cc1C	MCULE-7502939157,EMOLS-id_331010979	285.384	JIWHTDOEYAWUNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047737
CCOc1ccc(Cn2nc3CCC(C)c3c2N)c(C)c1	MCULE-7478486546,EMOLS-id_331013026	285.384	JFSNOCJLXAFHQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047738
CCOc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1	MCULE-2047704635,EMOLS-id_331013885	285.384	SBPJEGFOMKFCPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047739
CCOc1ccc(Cn2nc(N)c3C(C)CCc23)cc1C	MCULE-6369888781,EMOLS-id_330961910	285.384	BGICTMDVLZMFLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047740
CCOc1ccc(Cn2nc(N)c3C(C)CCc23)c(C)c1	MCULE-9870431233,EMOLS-id_330963957	285.384	CNAYPKHWHUSTKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047741
CC(OCc1ccc(cc1)NC1CCn2c1ncc2)(C)C	EMOLS-id_318220400,MCULE-2082759084	285.384	BHPZIIPVDVIPGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047742
CNC(c1nc2c([nH]1)CCC2CC)c1ccc(cc1)OC	PC-id_102970642	285.384	KSEQTSMJLXKBKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047743
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331012010,MCULE-5248134768	285.384	OLAGARMCRJYGDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047744
COc1ccccc1C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_330998452,MCULE-4986180483	285.384	JDQAXYAIJGHLRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047745
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_331001522,MCULE-8787864015	285.384	MBFGJWYLRGGBSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047746
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CN	MCULE-7210601741,EMOLS-id_330998704	285.384	UMJPPDQTZXHJCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047747
COc1ccc(c(c1)C)C(NC1CC(n2c1ncc2)C)C	MCULE-2413148619,EMOLS-id_318175061	285.384	VSOHCFAHHYNBPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047748
COc1ccc(cc1[C@H](NC1CC(n2c1ncc2)C)C)C	EMOLS-id_318104379	285.384	LMBVKAGAYGSZET-JVWICGRDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047749
COc1ccc(cc1[C@@H](NC1CC(n2c1ncc2)C)C)C	EMOLS-id_318314581	285.384	LMBVKAGAYGSZET-OWYJLGKBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047750
COc1ccc(cc1C(NC1CC(n2c1ncc2)C)C)C	EMOLS-id_318034726,MCULE-7274131502	285.384	LMBVKAGAYGSZET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047751
COc1ccc(cc1NC1CCn2c1ncc2)C(C)(C)C	EMOLS-id_318533458,MCULE-9802199949	285.384	NDFHCRGFHCVKJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047752
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1CN	EMOLS-id_330997433,MCULE-5724215084	285.384	ZPRBGHSXRXZIPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047753
COc1ccc(C)cc1Cn1nc(CN)c2C(C)CCc12	EMOLS-id_331011583,MCULE-3542347303	285.384	WLLCUQFFWHOVOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047754
COc1cc(C)ccc1C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318372144,MCULE-1134009364	285.384	UKVSARZSRTXOHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047755
COc1cc(C)ccc1CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318367050	285.384	KBLWAHNNRUEWOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047756
COc1c(C)ccc(c1C)NC(c1nn2c(c1)CCC2)C	MCULE-8641707221,EMOLS-id_318106425	285.384	YUIVXIZMJPFIBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047757
COc1ccc(C)c(Cn2nc3CCC(C)c3c2CN)c1	MCULE-5596610655,EMOLS-id_330994878	285.384	PMCLQIOTTHGOHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047758
COc1ccc(C)c(Cn2nc(CN)c3C(C)CCc23)c1	EMOLS-id_331017203,MCULE-3456922408	285.384	AUEVFPAADJGWOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047759
COc1cccc(Cn2nc3CCC(C)c3c2CN)c1C	MCULE-8015163153,EMOLS-id_330994622	285.384	XXAUDKRLHNVXHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047760
COc1cc(C)c(Cn2nc3CCC(C)c3c2N)cc1C	EMOLS-id_331014050,MCULE-7842411339	285.384	FHYGWQZEJVIQEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047761
COc1c(C)cc(Cn2nc3CCC(C)c3c2N)cc1C	MCULE-3913713376,EMOLS-id_331010723	285.384	WHINUBRXDJSHDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047762
COc1ccc(C(C)n2nc3CCC(C)c3c2N)c(C)c1	MCULE-9600817331,EMOLS-id_331012266	285.384	RMQHMCGTGCBDSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047763
COc1cccc(Cn2nc(CN)c3C(C)CCc23)c1C	EMOLS-id_331016947,MCULE-3682570938	285.384	ZSAAUWCYRHELTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047764
COc1c(C)cc(Cn2nc(N)c3C(C)CCc23)cc1C	EMOLS-id_330961654,MCULE-8750814215	285.384	LZYUPSBWUNGUEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047765
COc1cc(C)c(Cn2nc(N)c3C(C)CCc23)cc1C	EMOLS-id_330964981,MCULE-2594265104	285.384	MLCYSNOESKGHOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047766
COc1ccc(Cn2nc3CCC(C)c3c2CN)cc1C	EMOLS-id_330996661,MCULE-5727084125	285.384	FAWJSHRKNQJEOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047767
COc1ccc(Cn2nc3CCC(C)c3c2N)c(C)c1C	MCULE-8490642906,EMOLS-id_331013794	285.384	GECDUYVAGORXSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047768
COc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1C	EMOLS-id_331010811,MCULE-2532644445	285.384	WIGPDNZPJWVBFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047769
COc1ccc(Cn2nc(N)c3C(C)CCc23)c(C)c1C	MCULE-2071169835,EMOLS-id_330964725	285.384	WYDPSJIAQGITMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047770
COc1cc(Cn2nc3CCC(C)c3c2CN)ccc1C	MCULE-4308556759,EMOLS-id_330994104	285.384	CIODECOYGLMBOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047771
COc1cc(Cn2nc(CN)c3C(C)CCc23)ccc1C	MCULE-7611542504,EMOLS-id_331012349	285.384	CDDGYKSTCXSKPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047772
COCc1ccccc1Cn1nc2CCC(C)c2c1CN	EMOLS-id_330995134,MCULE-4776454101	285.384	GOFGRULQVJTMDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047773
COCc1ccccc1Cn1nc(CN)c2C(C)CCc12	MCULE-1548726269,EMOLS-id_331017459	285.384	RKHJYZDOFITEEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047774
O=C1n2c(c(cc2C(=C1C#N)N(C)C)CCC)CCCC	PC-id_16681073	285.384	BCAKULFMARWYLF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-047775
O(CCCn1nc2c(C(CC2)(C)C)c1N)c1ccccc1	PC-id_79866629	285.384	LZWJDCWZQADQHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047776
CCOC(=O)c1c(NC(=S)NN)sc2c1CCC2	PC-id_101062285	285.386	VZCQTZMEOKYNFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047777
SCC(C(=O)Nc1sc2c(n1)CCC2)NC(=O)C	PC-id_113999294	285.386	XHYCDYSGLLSJDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047778
C1CCC(CC1)n1ccc(n1)NCc1cnc2n1CCC2	EMOLS-id_318534601,MCULE-6510069930	285.387	DNUMINMEVMVXJB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-047779
s1c2CCCc2cc1C(=O)Nc1c(cc(cc1C)C)C	PC-id_78776370	285.404	QRRRCCJIXLHETM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047802
c1(CN(C)Cc2[nH]nc3CCCc23)cn(nc1C)CC=C	MCULE-6506333376,PC-id_46993342,EMOLS-id_31617329,ZINC22_55282936	285.387	UNZLOFHYBIKVOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047780
c1[nH]cc(n1)CC1CCN(CC1)Cc1nn2c(c1)CCC2	MCULE-6798075462,EMOLS-id_320180877	285.387	IBCHCOBAVJITGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047781
CC1CC(c2n1ccn2)NCc1ccnn1C1CCCC1	EMOLS-id_318663745,MCULE-5005131957	285.387	AHCCPLWUQNPDSG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047782
CC1CC(c2n1ncn2)NCc1cnccc1C(C)(C)C	MCULE-4309051816,EMOLS-id_318700206	285.387	LFBMUKKJRLDDKL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047783
Cc1ccc(nc1)C(CNC1CC(n2c1ncn2)C)(C)C	MCULE-3006969337,EMOLS-id_318518155	285.387	DXXOEHCVURUFCK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047784
Cc1c(cnn1C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318010775,MCULE-2999957577	285.387	XKGNNVLRVOKLFY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047785
Cc1c(cnn1C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318386440,MCULE-3883850977	285.387	FLYLOXIRJQLUSR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047786
Cc1[nH]c(nc1C)C1CCCN1Cc1cc2n(n1)CCC2	EMOLS-id_319557838	285.387	PJXLMASBNYEFFK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047787
CC(C(c1ncccc1C)NC1CC(n2c1ncn2)C)C	MCULE-2423893407,EMOLS-id_279083102	285.387	LRPIAPBLPVTGTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-047788
CCC(c1nc(NCc2nn3c(c2)CCC3)cc(n1)C)C	EMOLS-id_320092187,MCULE-7798260633	285.387	NGHKAYMOUUJBMS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-047789
CCCNc1ccc(cc1)CNC1CC(n2c1ncn2)C	EMOLS-id_258183855,MCULE-1550404553	285.387	IBEJMNNRQOLAKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047790
Cn1nc(cc1NCc1cnc2n1CCC2)C1CCCC1	MCULE-2263796200,EMOLS-id_318389508	285.387	LGXULVZQIWLKDN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-047791
CN(Cc1cc(cc(c1)C)NC1CC(n2c1ncn2)C)C	MCULE-2859422711,EMOLS-id_318402445	285.387	WJAZRSGJIIVFKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047792
CN(Cc1ccc(c(c1)NC1CC(n2c1ncn2)C)C)C	EMOLS-id_318582820,MCULE-3664333198	285.387	VCJAINLKBALRBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047793
n12CCCc1nnc2C(NCc1ccc(N(C)C)cc1)C	PC-id_43433233	285.387	BTINXPSOOJDRRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047794
COCCOCC(CNCc1sc2c(c1)CCC2)O	PC-id_106989561	285.402	MTTJLQMQUZMXJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047795
CC(C)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	EMOLS-id_24003988,CoCoCo_3346416,ZINC22_14905875,MCULE-4792681079,PC-id_26288824	285.404	SPEXHUGIWKOBJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047796
CCC(=O)c1ccc(cc1)NCc1sc2c(c1)CCC2	PC-id_108315479	285.404	XGSTXLSWRMLGOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047797
Nc1sc2c(c1C(=O)c1ccccc1)C(CC2(C)C)C	PC-id_106662937	285.404	HHJPMJXIXCAQRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047798
NC(c1sc2c(c1)CCC2)c1ccc(cc1)OC1CC1	PC-id_105051378	285.404	RNIKRDXSMPORAY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-047799
NC(c1sc2c(c1)CCC2)c1cccc(c1)OC1CC1	PC-id_105051691	285.404	YVNJBDNJBIGDSW-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-047800
O=C(NCCCc1ccccc1)c1cc2c(s1)CCC2	MCULE-3815921579,EMOLS-id_2984534,CoCoCo_3175298,ZINC22_3230501,PC-id_2348569	285.404	JAYFUQBDAAQRGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047801
s1c2CCCc2cc1C(=O)Nc1c(CC)cccc1C	PC-id_8761155	285.404	NBXDLBIKLHBSCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047803
s1c2CCCc2cc1C(=O)Nc1cc(C(C)C)ccc1	PC-id_9226808	285.404	HZUJXXIRYDMLFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047804
s1c2CCCc2cc1C(=O)NCC(c1ccccc1)C	PC-id_47098895	285.404	DKTWQCJTWIZHHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047805
s1c2CCCc2cc1C(=O)NC[C@@H](c1ccccc1)C	PC-id_9427260	285.404	DKTWQCJTWIZHHL-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047806
s1c2CCCc2cc1C(=O)NC[C@H](c1ccccc1)C	PC-id_9427261	285.404	DKTWQCJTWIZHHL-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047807
s1c2c(CCC2)c(c1N)C(=O)c1ccc(C(C)C)cc1	PC-id_28337431	285.404	PTHLIYVABFAZRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047808
Cn1ncc2c1CN(C2)S(=O)(=O)CC(C(C)C)(C)C	EMOLS-id_319673598	285.406	XWCHORNBPQIOGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047809
c1ccc(nc1)N1CCC(C1)NC1CCc2c1scc2	EMOLS-id_318416326,MCULE-9184798290	285.407	DLECSHQKYWGIAY-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-047810
Cc1ccc(cn1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_104822902	285.407	JQFJEEOURBSBJX-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-047811
N#Cc1cc(c(n1C)C)CNCc1sc2c(c1)CCC2	PC-id_115614706	285.407	UFHQSYNPYRPCDX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-047812
s1c(nc2c1CCC2)C(NC1CC1)c1c(ccnc1)C	PC-id_81744922	285.407	PVRYFPHYNPQCSQ-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-047813
CCCSCc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287208	285.425	BVDCPYAOECYBTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047814
CCOC(=O)C1CCc2c1nc(s2)CSC(C)C	PC-id_104287146	285.425	HKTMNAPELHNMFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047815
CSCC(CNC(=O)c1sc2c(c1)CCC2)(O)C	PC-id_111436103	285.425	DLKKCOYGKLASRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047816
OCC(C(NC(=O)c1sc2c(c1)CCC2)C)SC	PC-id_103799116	285.425	JZEOMYVOYINGRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047817
OCCCSCCNC(=O)c1sc2c(c1)CCC2	PC-id_103767820	285.425	DGNPZGNIVGKOPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047818
O=S1(=O)CCC(CC1)NCc1sc2c(c1)CCC2	EMOLS-id_314566549,PC-id_61207773	285.425	UERJAXGXCJGDEQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047819
S1(=O)(=O)CC(NCc2sc3c(CCC3)c2)CCC1	PC-id_63923426	285.425	MMCOCOLBOHVTRE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047820
s1c2CC(=CC=CC3=[N+](C4C(C4)C3)C)N(c2cc1C)C	PC-id_59893262	285.427	NWLBOFRQFVGBLN-UHFFFAOYSA-N	00100011100000000000010010000000000000000000000000000000	25-01-047821
s1c2c(N(C(=CC=CC3=[N+](C=CC3)C)C2)C)c(c1C)C	PC-id_59893168	285.427	NXCBVCAOVPFJMV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-047822
s1c2N(C(=CC=CC3=[N+](C4C(C4)C3)C)Cc2cc1C)C	PC-id_59893146	285.427	NCNVDSXGBBEIQK-UHFFFAOYSA-N	00100011100000000000010010000000000000000000000000000000	25-01-047823
s1c2N(C(=CC=CC3=[N+](C=CC3)C)Cc2c(c1C)C)C	PC-id_59893282	285.427	BKVJZMSQEPMBBE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-047824
Cc1cc(C)c(c(c1)C)CC(c1sc2c(c1)CCC2)N	PC-id_115828665	285.447	IHJUJJGASNQIFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047825
CCc1ccc(cc1)CC(c1sc2c(c1)CCC2)NC	PC-id_115802873	285.447	GSYIJAFROXQKIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047826
CC(c1ccc(cc1)CC(c1sc2c(c1)CCC2)N)C	PC-id_115844142	285.447	FILZNVFHBQZIKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047827
CCc1ccc(cc1CC)C(c1sc2c(c1)CCC2)N	PC-id_115482112	285.447	XCFZQLAFUOMKGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047828
CCCc1cccc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_105050184	285.447	JXHZKUGCOXIEBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047829
CC(Cc1cccc(c1)C(c1sc2c(c1)CCC2)N)C	PC-id_105050648	285.447	CUEPVOZYNTUETK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047830
CC[C@H](C)N(C1CCc2c1scc2)c1ccccc1C	PC-id_137454807,SCHEMBL20693919	285.447	ZFFFSFVXYUALPJ-MBIQTGHCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047831
CCCNC(c1ccccc1C)c1sc2c(c1)CCC2	PC-id_115794717	285.447	ZBWYPKXIXGIPHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047832
CCCNC(c1sc2c(c1)CCC2)c1cccc(c1)C	PC-id_115789955	285.447	LFPUIINZBHEUBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047833
CCNC(c1cccc(c1C)C)c1sc2c(c1)CCC2	PC-id_115850557	285.447	VUMYUYPQVXGRGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047834
CCNC(c1sc2c(c1)CCC2)c1cccc(c1)CC	PC-id_105018883	285.447	RJYUWBQBWLGNSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047835
CCNC(c1sc2c(c1)CCC2)c1cc(C)cc(c1)C	PC-id_115797429	285.447	CHDSSLBZMWUCPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047836
CCNC(c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_115794421	285.447	YVIHOLNBTNRPBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047837
CNC(c1cc(C)c(cc1C)C)c1sc2c(c1)CCC2	PC-id_104990329	285.447	DAQRAKJTZOPCBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047838
CNC(c1sc2c(c1)CCC2)Cc1c(C)cccc1C	PC-id_105024364	285.447	ARFITTKNAQJFNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047839
CNC(c1sc2c(c1)CCC2)Cc1cc(C)cc(c1)C	PC-id_115799952	285.447	XLGNFGHZNCDBGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047840
C(NCc1sc2c(c1)CCC2)CCCc1ccccc1	PC-id_114333240	285.447	KAQWRUXECAYRDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047841
CNC(c1sc2c(c1)CCC2)CCCc1ccccc1	PC-id_115849296	285.447	IPLQLKHADHSEPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047842
s1c2c(CCC2)cc1C(N)c1c(c(cc(c1C)C)C)C	PC-id_43464204	285.447	OSMFZPYLULNZRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047843
s1c2c(CCC2)cc1C(N)c1c(CC)ccc(c1)CC	PC-id_64167318	285.447	CMAIYRWFJSBDDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047844
s1c2c(CCC2)cc1C(N)c1ccc(C(CC)C)cc1	PC-id_43464272	285.447	PBNINIOHRLOTOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047845
s1c2c(CCC2)cc1C(N)c1ccc(C(C)(C)C)cc1	PC-id_43464279	285.447	LVDREDLURQVNGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047846
s1c2c(CCC2)cc1C(N)c1ccc(CC(C)C)cc1	PC-id_43464328	285.447	CMMGKFPMBCKCED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047847
s1c2c(CCC2)cc1C(N)c1ccc(CCCC)cc1	PC-id_43464335	285.447	RHBCZXWKVIMCAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047848
s1c2c(CCC2)cc1C(NC)c1c(cc(cc1C)C)C	PC-id_43484192	285.447	IPYDIXWGSAVIES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047849
s1c2c(CCC2)cc1C(NC)c1ccc(cc1)CCC	PC-id_43484864	285.447	HETLDWMUSOJSRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047850
s1c2c(CCC2)cc1CNCc1c(cc(c(c1)C)C)C	PC-id_61206849	285.447	QEMPAOBTXBUEKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047851
s1c2c(CCC2)cc1CNC(c1c(cc(cc1)C)C)C	PC-id_61207019	285.447	JZYNSPYOYHRIIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047852
s1c2c(CCC2)cc1CNC(c1c(ccc(c1)C)C)C	PC-id_61207020	285.447	WAJJFKNRMCIDGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047853
s1c2c(CCC2)cc1CNCc1c(cc(cc1C)C)C	PC-id_61207206	285.447	JHXWDRFMNZOBGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047854
s1c2c(CCC2)cc1CNC(c1cc(c(cc1)C)C)C	PC-id_61208747	285.447	OLNBYUPDYVAQEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047855
s1c2c(CCC2)cc1CNC(c1ccc(cc1)CC)C	PC-id_61208939	285.447	NRXJBBHXKHKYHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047856
s1c2c(CCC2)cc1CNC(c1cc(cc(c1)C)C)C	PC-id_81863097	285.447	GPIFXSZHQRPLJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047857
s1c2c(CCC2)cc1C(NC)c1ccc(C(C)C)cc1	PC-id_43625377	285.447	HLJMVOJRYWBYEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047858
s1c2CCCc2cc1CNCc1ccc(C(C)C)cc1	PC-id_61206640	285.447	CSONJLFTXOAAQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047859
s1c2c(CCC2)cc1C(NCC)c1cc(c(cc1)C)C	PC-id_43487924	285.447	UONFRJACRYVFND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047860
s1c2c(CCC2)cc1C(NCC)c1c(cc(cc1)C)C	PC-id_43489928	285.447	UZDDYLZHIXMYOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047861
s1c2c(CCC2)cc1C(NCC)c1c(ccc(c1)C)C	PC-id_43490768	285.447	SXJRTOLPYGLQGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047862
s1c2c(CCC2)cc1C(NCC)c1ccc(cc1)CC	PC-id_43491402	285.447	RJMQQDIHCLRJIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047863
s1c2c(CCC2)cc1C(NC)Cc1cc(c(cc1)C)C	PC-id_62537155	285.447	GDNXEHDYXLOICJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047864
s1c2c(CCC2)cc1C(NC)Cc1c(ccc(c1)C)C	PC-id_62537199	285.447	KZROZKPNPAVIRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047865
s1c2c(CCC2)cc1CNC(Cc1ccccc1)CC	PC-id_79007874	285.447	OSNKJCHFLZDBCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047866
s1c2c(CCC2)cc1C(NCCC)c1ccc(cc1)C	PC-id_43495047	285.447	FVRMXHDUAHERBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047867
s1c2c(CCC2)cc1CNC(CCc1ccccc1)C	PC-id_61206830	285.447	QZNOKCSPRCBBFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047868
s1c2c(CCC2)cc1CNC(CC)c1ccc(cc1)C	PC-id_61207396	285.447	NHLVMUXZRIIOAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047869
s1c2c(CCC2)cc1CNCCC(c1ccccc1)C	PC-id_63452624	285.447	DSNGDLFVWUGXFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047870
s1c2c(CCC2)cc1C(NCC)Cc1c(cccc1)C	PC-id_63526897	285.447	BYTLJQJBPTYTBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047871
s1c2c(CCC2)cc1C(NCC)Cc1cc(ccc1)C	PC-id_63527089	285.447	NRWMQLUSSWKTCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047872
s1c2c(CCC2)cc1C(NCC)Cc1ccc(cc1)C	PC-id_63528808	285.447	YSSBLQBUOIAIAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047873
s1c2c(CCC2)cc1CNC(C(C)C)c1ccccc1	PC-id_61206855	285.447	FWLNCOYLLBOIMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047874
s1c2c(CCC2)cc1CNC(CCC)c1ccccc1	PC-id_61209508	285.447	HNWDGXJZURMBOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047875
s1c2c(CCC2)cc1C(NCCC)Cc1ccccc1	PC-id_63528114	285.447	CRHJLGQRAQCGEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047876
c1(sc2c(CCC2)n1)NC(=O)C(Cl)(Cl)Cl	PC-id_4383138,EMOLS-id_334662361,MCULE-5382860730	285.578	SAZRUDMNCSMABY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047877
OC(C(F)(F)F)CNC1CCc2c1cc(s2)Cl	PC-id_113348389	285.714	QTQUXKIHGRBOEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047878
CC1CN(CC(O1)C)C(=O)c1nn2CCOc2c1Cl	PC-id_91960035	285.727	JUHGFJCGERAOKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047879
OC1CCC(CC1)NC(=O)c1nn2c(c1Cl)OCC2	PC-id_100815416	285.727	AERAKJGTDMRXEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047880
c1(C(=O)c2ccc(cc2)Cl)c(N)c(c2CCCn12)C#N	CHEMBL1571444,PC-id_657738,EMOLS-id_4375786,MCULE-3830665840,ZINC22_494534,STOCK1S-11786,ChEMBL-DNDi_CHEMBL1571444,CoCoCo_610180	285.728	LTVGSHXJQJIDCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047881
Clc1sc2CCC(Nc3cc(F)cc(F)c3)c2c1	PC-id_81252671	285.74	MLXJWAODLNRXSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047882
Clc1sc2CCC(Nc3cc(F)c(F)cc3)c2c1	PC-id_81251825	285.74	NEUJQWUYZHNYMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047883
Clc1sc2CCC(Nc3c(F)cccc3F)c2c1	PC-id_81251943	285.74	MVDYPFHJSNYRCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047884
Clc1sc2CCC(Nc3c(F)ccc(F)c3)c2c1	PC-id_81252263	285.74	RCWVMELPLVBLMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047885
Clc1sc2CCC(Nc3c(F)cc(F)cc3)c2c1	PC-id_81251709	285.74	PVKUNZUWXVEDBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047886
Clc1sc2CCC(Nc3c(F)c(F)ccc3)c2c1	PC-id_81252495	285.74	DOVASTDXSGJWMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047887
C=CCC1CCn2c1ccc2C(=O)c1ccc(cc1)Cl	SCHEMBL10929928,PC-id_70475530	285.768	MDLWTBOTTGMYOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047888
c12CN(Cc1nn(CCC)c2Cl)C(=O)OC(C)(C)C	MCULE-2465770821,EMOLS-id_324343137	285.77	XFBPJPSEPUNWTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047889
CC1CCc2c1c(nn2Cc1c(C)cccc1Cl)C#N	EMOLS-id_331020023,MCULE-4246737442	285.771	OFZJQBMVWKPEES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047890
CC1CCc2c1c(nn2Cc1cccc(C)c1Cl)C#N	EMOLS-id_331020279,MCULE-1553425737	285.771	HFSYMHLZQMUENV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047891
CC1CCc2c1c(nn2Cc1cc(C)ccc1Cl)C#N	EMOLS-id_331020535,MCULE-8800121139	285.771	QPTDJOOTNLZCEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047892
CC1CCc2c1c(nn2Cc1ccc(C)cc1Cl)C#N	MCULE-3617587182,EMOLS-id_331019767	285.771	ZKAZTVPXZKUWAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047893
CC1CCc2c1c(nn2Cc1cc(C)cc(Cl)c1)C#N	EMOLS-id_331018744,MCULE-3100470841	285.771	LZHXWXQRWDGCTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047894
CC1CCc2c1c(nn2Cc1ccc(C)c(Cl)c1)C#N	MCULE-8903592726,EMOLS-id_331022327	285.771	WEGVUSLHMCUKGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047895
CC1CCc2c1c(nn2Cc1cccc(Cl)c1C)C#N	MCULE-4986302485,EMOLS-id_331018488	285.771	LFOMTYCFXYGZAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047896
CC1CCc2c1c(nn2Cc1ccc(Cl)cc1C)C#N	EMOLS-id_331021048,MCULE-9851738754	285.771	XMESAPMIXBAXHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047897
CC1CCc2c1c(nn2Cc1ccc(Cl)c(C)c1)C#N	MCULE-9504083671,EMOLS-id_331021304	285.771	FPBNEUHIEKKMEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047898
CC1CCc2c1c(nn2Cc1cc(Cl)ccc1C)C#N	EMOLS-id_331019000,MCULE-3480205643	285.771	CPSOFZCDLJPXHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047899
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(C#N)c12	EMOLS-id_331004593,MCULE-5317377034	285.771	YQNMIYKWIGOMNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047900
CC1CCc2nn(Cc3c(C)cccc3Cl)c(C#N)c12	EMOLS-id_331004849,MCULE-9337054477	285.771	KAHYAFPDKFGENK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047901
CC1CCc2nn(Cc3cccc(C)c3Cl)c(C#N)c12	MCULE-2110424993,EMOLS-id_331005105	285.771	IVJPJLNBGFMQHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047902
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(C#N)c12	MCULE-8599518098,EMOLS-id_331005361	285.771	PGMIFMVNUGONAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047903
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(C#N)c12	EMOLS-id_331003058,MCULE-5542231678	285.771	NKCFQTVZLVHHCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047904
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(C#N)c12	EMOLS-id_331003570,MCULE-7846945530	285.771	GFZPOOZJUHEOFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047905
CC1CCc2nn(Cc3cccc(Cl)c3C)c(C#N)c12	EMOLS-id_331003314,MCULE-7359197649	285.771	BDWQJOYQMDFLEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047906
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(C#N)c12	MCULE-5495506361,EMOLS-id_331005874	285.771	JIKYFQSRHFBJOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047907
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(C#N)c12	EMOLS-id_331002035,MCULE-3060525262	285.771	ZVGHPLIXOPMNEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047908
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(C#N)c12	MCULE-7443940174,EMOLS-id_331003826	285.771	WIHPXCXSMUECFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047909
ClCC1COCCN1C(=O)c1sc2c(c1)CCC2	PC-id_113521036	285.79	QBXSDCXDXVVNLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047910
ClCC1OCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_81209885	285.79	WVXYEXHPLYOBCH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047911
Cl/C(=C(c1ccccc1)/C#N)/c1sc2CCCc2c1	PC-id_61777926	285.791	LNDHUVJEKXZSLU-SSZFMOIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047912
ClC(=C(c1ccccc1)C#N)c1sc2CCCc2c1	PC-id_76922471	285.791	LNDHUVJEKXZSLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047913
Clc1sc2NC(Cc2c1)C(=O)N1CCN(CC1)C	SCHEMBL13545638,PC-id_70931367	285.793	OQMQPCUTASLPQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047914
CCc1nnc(s1)NC1CCc2c1cc(s2)Cl	PC-id_113985229	285.816	NQRKOWOYVDDBAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047915
Clc1cnc(s1)NCCc1sc2c(n1)CCC2	MCULE-3679473321,EMOLS-id_318756502	285.816	NTULVDUEUKHSDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047916
Clc1csc(n1)CNCc1sc2c(n1)CCC2	EMOLS-id_318509014,MCULE-6902015414	285.816	UVDZNTRAQCCRMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047917
CNC(c1sc2c(n1)CCC2)c1ncc(s1)Cl	PC-id_113920297	285.816	JGPIRGXJHZMQSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047918
CC(C1CCOCC1)NC1CCc2c1cc(s2)Cl	PC-id_105808687	285.833	BUBMYYSGQWVPHU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047919
CCC1OCCC1CNC1CCc2c1cc(s2)Cl	PC-id_114105167	285.833	NPXBITAIFOADCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047920
CC(CC(CNC(=O)c1sc2c(c1)CCC2)Cl)C	PC-id_107157511	285.833	FRYINNLKFMTRME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047921
CCCCN(C(=O)c1sc2c(c1)CCC2)CCCl	PC-id_63391868,EMOLS-id_315112550	285.833	YCANLYDPRJSGEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047922
CCC(NC(=O)c1sc2c(c1)CCC2)(CCl)CC	EMOLS-id_315621720,PC-id_114304495	285.833	GIROEFSJMCZNBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047923
Clc1cc2c(s1)CCC2NC1CCCCCC1O	PC-id_113394657	285.833	ABTYYYJIBHRYJN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-047924
Clc1sc2c(c1)C(CC2)NCC1(C)CCOCC1	PC-id_103903428	285.833	SNNPOXSEAKWTQW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047925
Clc1sc2c(c1)C(CC2)NCCC1CCCCO1	PC-id_113364687	285.833	HVPRLYBOWZMKMA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047926
Clc1sc2c(C(NC3CC(OCC3)(C)C)CC2)c1	PC-id_83032951	285.833	GOXQBOBRKSZXQO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047927
Clc1sc2c(C(NCC3C(CCC3)CO)CC2)c1	PC-id_81251748	285.833	GFZFIYYIDUPQTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047928
Clc1sc2c(C(NCC3C(O)CCCC3)CC2)c1	PC-id_81252605	285.833	PKJPTBNVKMZATF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047929
Clc1sc2c(C(NCC3(O)CCCCC3)CC2)c1	PC-id_81251432	285.833	ZDNKTRLXBYTSLY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047930
Clc1sc2c(C(NCCCOCC3CC3)CC2)c1	PC-id_81251403	285.833	BMNGLJRRCSZSSG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-047931
Clc1sc2c(C(NCCOC3CCCC3)CC2)c1	PC-id_81252810	285.833	LWSIJIMRZPHKOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047932
ClCCC(C(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_106354616	285.833	DROOMSZMJVMVAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047933
ClCCCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_107846775	285.833	SBLZWMMYUUWVJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047934
ClCCCCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_107205648	285.833	UGSKFZXHZRIAFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047935
ClCC(CCCNC(=O)c1sc2c(c1)CCC2)C	PC-id_114151411	285.833	AAWIKYRCVKHLCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047936
ClCCC(CNC(=O)c1sc2c(c1)CCC2)CC	PC-id_113273714,EMOLS-id_315632986	285.833	HPSILEWQHSQSRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047937
ClCCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_114149318	285.833	DBYGDAHAHPGUFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047938
ClCCCN(C(C)C)C(=O)c1sc2c(CCC2)c1	PC-id_63390871,EMOLS-id_314237120	285.833	GUYDJSQZDYDFES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047939
ClCCC(NC(=O)c1sc2c(c1)CCC2)(CC)C	PC-id_114153093	285.833	NBMGSZLSKMLFIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047940
ClCC(NC(=O)c1sc2c(c1)CCC2)CC(C)C	PC-id_114300826,EMOLS-id_315680067	285.833	PTLCNUXPBSEZAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047941
COC1CC(C1(C)C)NC1CCc2c1cc(s2)Cl	PC-id_114118575	285.833	CCTLMAAKVWHDAB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-047942
COCCC1(CNC2CCc3c2cc(s3)Cl)CC1	PC-id_103903986	285.833	SPKLJKJOYDFPNK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-047943
OC1CCC(CC1)CNC1CCc2c1cc(s2)Cl	PC-id_106125867	285.833	OYJHEUNDUNRIQM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047944
OC1CCCC(C1)CNC1CCc2c1cc(s2)Cl	PC-id_114146543	285.833	OJULMGWCFBUFDC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047945
OCC1(CCCC1)CNC1CCc2c1cc(s2)Cl	PC-id_113293593	285.833	HBSZGMNKUPIGGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047946
OCC1CCCCC1NC1CCc2c1cc(s2)Cl	PC-id_114178519	285.833	JTMHRXKXUXFRCY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-047947
CCCCCCCCNC1CCc2c1cc(s2)Cl	PC-id_115566841	285.876	FSXWXPBPBHGVKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047948
CC(C(C(C)C)CNC1CCc2c1cc(s2)Cl)C	PC-id_113751210	285.876	AWXBEMVLOJSBCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047949
CCCCC(NC1CCc2c1cc(s2)Cl)CCC	PC-id_114138066	285.876	ZMBCJTBJOJNBQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047950
Clc1sc2c(C(NC(CCCCCC)C)CC2)c1	PC-id_81251845	285.876	QELAAGYQTCIUCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047951
Clc1sc2c(C(NCC(CCCC)CC)CC2)c1	PC-id_81252160	285.876	GJVMNGNCINHFCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047952
Clc1sc2c(C(NC(CC(C)(C)C)(C)C)CC2)c1	PC-id_81252688	285.876	KAVLDSAUAUZXFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047953
Clc1sc2c(C(NC(CCCC(C)C)C)CC2)c1	PC-id_81252776	285.876	KIDKYIUXVIUCOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047954
CS(=O)(=O)C1=C2C(=C(S1)Cl)CC(C2=O)(F)F	PC-id_147200210	285.934	CDEALOCKMQPKRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047955
BrC1c2c(C(=O)C1)c(Cl)sc2Cl	PC-id_400227	285.973	QXJHUKYIQBIUGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047956
O=C1C[C@H](c2c1c(Cl)sc2Cl)Br	CoCoCo_5778862,NSC711745	285.973	QXJHUKYIQBIUGT-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047957
O=C1C[C@@H](c2c1c(Cl)sc2Cl)Br	CoCoCo_5778863	285.973	QXJHUKYIQBIUGT-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047958
CC1(CN2C(=CC(=N2)Br)O1)COCC3CC3	PC-id_149709824	286.032	AUWNUXONTZKGGW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-047959
C1=CNC(=C1)C=C2C3=C(NC2=O)SC(=C3)/C=CC(=O)O	PC-id_151706429	286.041	RFRFWQFUEATYPK-CFPZGYSOSA-N	00000010110000000000000010000000000000000000000000000000	25-01-047960
C1COCC1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[O-]	PC-id_154020859	286.05	SHUBRDCCRWWOEC-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-047961
C1CC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)C(=O)[O-])N	PC-id_153798112	286.054	RTMAAIDZHAZVQW-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-047962
C1CC2=C(C1)SC(=N2)CNC3CCS(=O)(=O)CC3	PC-id_154788538,MCULE-7499066018,EMOLS-id_317739476	286.081	OHJJOZADWYADIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-047963
CC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=C(C=C3)F	PC-id_153819196	286.088	PPOOQRCQQGZVGL-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-047964
O=C([C@H]1CCCO1)N1CCn2ncc(Br)c12	ZINC22_585122504,EMOLS-id_177345593,MCULE-6529479323	286.125	RMMAMAWYHWDQSL-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047965
CCCN1C=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)O	PC-id_148095752	286.132	QJWVCGKEYLPAPE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-047966
CC(C)OC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CN3	PC-id_148548974	286.132	UKBMRTLUEALAHZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-047967
CCN1C=CC=C1C(=O)C2=C(C=C3N2CCC3C(=O)O)C	PC-id_148095680	286.132	XWKTZVKDQZXJMX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-047968
CC1=CC(=CC=C1)OCC(=O)NCC2=NN=C3N2CCC3	EMOLS-id_257873347,PC-id_154760323,MCULE-1744018691	286.143	KWBBLKILQLJSPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047969
CC[C@@H](C)NC(=O)c1nc2n(c1Br)CCC2	ZINC22_585089278	286.168	APOTYYCYBVHSIF-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047970
CC[C@H](C)NC(=O)c1nc2n(c1Br)CCC2	ZINC22_585089279	286.168	APOTYYCYBVHSIF-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047971
CCC(NC(=O)c1nc2n(c1Br)CCC2)C	EMOLS-id_177290449,MCULE-1145261180	286.168	APOTYYCYBVHSIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047972
BrC(=C)CNC(=O)c1sc2c(c1)CCC2	PC-id_115594516	286.188	ZISUUXSITPACPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047973
CCC1=NN=C2N1CC(C2)C(C)C3=NN=C4N3[C@H](CC4)C	PC-id_155157350	286.191	PZQXJCPKDVOOHF-WHXUTIOJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047974
O=C(c1ocnc1C(F)(F)F)N1Cc2c(C1)cnn2C	MCULE-4578204736,EMOLS-id_316435761	286.21	AAGYQOOSBQIRFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047975
c12C(C)CCc1n(nc2Br)CCCN(C)C	EMOLS-id_330970360,MCULE-1634151066	286.211	WEWFBLIYFRCLDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047976
c12C(C)CCc1nn(CCCN(C)C)c2Br	EMOLS-id_331019178,MCULE-1128032149	286.211	BYPROBBCXJNYHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047977
CC1CCc2c1c(CBr)nn2CCN(C)C	MCULE-9940689917,EMOLS-id_331034380	286.211	VHJDLPMVWIQPMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047978
CC1CCc2nn(CCN(C)C)c(CBr)c12	EMOLS-id_331014588,MCULE-3270470932	286.211	NOYUYZBAKQUQCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047979
FC(F)(F)c1nc(NC(=O)c2n[nH]c3CCCc23)n[nH]1	PC-id_71831202	286.213	WDROXXSOIFNXOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047980
O=C(C(C(F)(F)F)(F)F)Nc1sc2c(n1)CCC2	PC-id_114038199	286.222	IQOLUMLSYVAPJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047981
Brc1c(CCC2(N)CC2)sc2c1CCC2	PC-id_105524876	286.231	UIGKDSXCPHXAGC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-047982
Brc1c(sc2c1CCC2)CC1NCCC1	PC-id_84813776	286.231	CNFUBUURRFZKCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047983
BrC(=C)CNC(c1sc2c(c1)CCC2)C	PC-id_115717245	286.231	RKZPBEAFSRUZNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-047984
FC(F)(F)c1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324909068	286.233	BTZSYBQYYXKHIE-XQRVVYSFSA-N	00000000110000000001000010000000000000000000000000000000	25-01-047985
n12c(=O)c(=Cc3ccc[nH]3)sc1nc(C(F)(F)F)n2	MCULE-3581021887	286.233	BTZSYBQYYXKHIE-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-047986
O1c2c(n(c(c2)C(=O)c2ccc([N+](=O)[O-])cc2)C)CC1=O	PC-id_18424184,SCHEMBL7678284	286.24	IAYHWSHMNGVVNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-047987
FC(c1ccc(o1)CNCc1nnc2n1CCC2)(F)F	EMOLS-id_318664365,MCULE-2440511235	286.253	VWJGHOYUDITYCY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-047988
O=C(C1C=Nc2n1ccn2)N(CC(F)(F)F)CC1CC1	PC-id_140446869	286.253	HUJLQAVDZUQXNJ-UHFFFAOYSA-N	00100011100000000001000010000000000000000000000000000000	25-01-047989
FC(Cn1cnc(n1)NCc1cnc2n1CCC2)(F)F	MCULE-5824324886,EMOLS-id_318122608	286.256	RABMTIKJNLGCAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047990
c1(C(=O)Nc2ccccc2C(=O)OC)c2CCCc2on1	BindingDB_PC-id_3240336,PC-id_3240336,MCULE-5780590574,BindingDB-id_76155,CHEMBL1337575,ChEMBL-DNDi_CHEMBL1337575,TIMTEC410840,EMOLS-id_6683547,SCHEMBL13856678,ZINC22_426291	286.283	QSAGGPOKIXHHSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047991
o1nc2CCCc2c1NC(=O)c1ccc(cc1)C(=O)OC	PC-id_16942319	286.283	VUOLCGFCSYHXLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047992
S1(=O)(=O)N(C(=O)c2sc(cc12)C#N)CC(=O)OC	PC-id_16638715	286.284	LSHRRZHZTZFNRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-047993
C1c2c(CN1C(=O)O)[nH]nc2NC(=O)Cc1ccccc1	PC-id_90300967,SCHEMBL15899875	286.286	VTZZAELFAMOODV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047994
C1Cc2c(C1)[nH]nc2C(=O)N/N=Cc1c(cc(cc1)O)O	CoCoCo_44512,PC-id_136750120,SPECS-id_AT-225/NB33020,CoCoCo_44510	286.286	BDCRYUDBGFDDDV-CHHVJCJISA-N	00000010100000110001000010000000000000000000000000000000	25-01-047995
C1Cc2c(C1)[nH]nc2C(=O)N/N=C/c1cc(c(cc1)O)O	PC-id_135684649	286.286	XDEWPTUWGSBVPK-VIZOYTHASA-N	00000010100000110001000010000000000000000000000000000000	25-01-047996
C1Cc2nnc(n2C1C(=O)O)CNC(=O)c1ccccc1	PC-id_134790901	286.286	XJMLQYGCHVSORQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047997
c1(C(=O)Nc2ccc(cc2C)N(=O)=O)c2CCCc2[nH]n1	EMOLS-id_335048710,MCULE-4417377051	286.286	WAZDGSLXYQVFIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047998
c1(C(=O)Nc2ccc(cc2N(=O)=O)C)c2CCCc2[nH]n1	EMOLS-id_335062284,MCULE-1859413322	286.286	HOEBOIJSJUWBCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-047999
c1(C(=O)Nc2c(C)ccc(c2)N(=O)=O)c2CCCc2[nH]n1	MCULE-1433978625,EMOLS-id_335075343	286.286	PYLGLEVNFILTKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048000
c1(C(=O)Nc2ccc(cn2)C(=O)OC)c2CCCc2[nH]n1	ZINC22_2100547605,EMOLS-id_337646305,MCULE-9908191257	286.286	LUPGHKJSUGYYIW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048001
c1(C(=O)NN=Cc2ccc(cc2O)O)c2CCCc2[nH]n1	MCULE-6007439286	286.286	BDCRYUDBGFDDDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048002
Cc1ncc(cc1NC(=O)c1cnn2c1CCC2)C(=O)O	EMOLS-id_319116174	286.286	ZCVGMNJXMCNZHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048003
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1O	PC-id_68441169,SCHEMBL2920073	286.286	SYIFFLGJRILTOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048004
Oc1ccc(/C=N/NC(=O)c2n[nH]c3CCCc23)c(O)c1	CoCoCo_44511,CoCoCo_44509,EMOLS-id_640678,PC-id_135411736	286.286	BDCRYUDBGFDDDV-VIZOYTHASA-N	00000010100000110001000010000000000000000000000000000000	25-01-048005
O=C1n2n(C(C1)(C)C=Cc1ncccc1)c(=O)n(c2=O)C	PC-id_15129814	286.286	SFKKYKXXZFRENF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048006
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1n(C)nc2c1CCC2	PC-id_45536263,GD-id_ZINC38510544	286.286	HASZPOHDCZTUJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048007
O=C(Nc1n(nc2c1CCC2)C)c1cc([N+](=O)[O-])ccc1	PC-id_45536264	286.286	URCVGUCHRORQIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048008
O=C(NN/C=C
/C(=CC(=O)C=C1)O)c1n[nH]c2CCCc12	PC-id_5399693	286.286	QGCCFJQCZOENLC-BQYQJAHWSA-N	00000010100011000001000010000000000000000000000000000000	25-01-048009
O=C(NN/C=C/1C(=CC(=O)C=C1)O)c1n[nH]c2CCCc12	PC-id_5796961	286.286	QGCCFJQCZOENLC-FPLPWBNLSA-N	00000010100011000001000010000000000000000000000000000000	25-01-048010
O=C(NNC=C1C(=CC(=O)C=C1)O)c1n[nH]c2CCCc12	PC-id_6740920	286.286	QGCCFJQCZOENLC-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-048011
O=C(NNC=C1C=C(O)C(=O)C=C1)c1n[nH]c2CCCc12	PC-id_6824920	286.286	SMDAICZKIUQBDZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-048012
CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccncc1	SCHEMBL12307447,PC-id_58441082	286.289	QOPHHZCDYSBJPW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048013
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1ccccn1	PC-id_46184648,SCHEMBL12307393	286.289	GCUKDJIVYKTHKV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048014
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1cccnc1	PC-id_58441231,SCHEMBL12307445	286.289	HUOCGWVUEVQAKM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048015
N#Cc1cn(nc1NC(=O)c1cc2n(n1)CCO2)C(C)C	EMOLS-id_99801278	286.289	LATPMEMWFNSQKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048016
FC(CNC(=O)CNC(=O)c1scc2c1C=CC2)F	PC-id_141443920	286.298	LWTVKNHTFFADAR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-048017
O=Cc1c(C)c(c2n1CCC2)C(=O)Nc1ccc(cc1)F	PC-id_139444938,SCHEMBL21307757	286.301	OCVQKAIBVXOEOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048018
CC(c1nnc2n1CCC2)Nc1nnc(s1)C(F)F	EMOLS-id_318297301,MCULE-7453790470	286.304	AGBCORSSYLDLFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048019
Fc1ccc(C=CC(=O)NCc2n3CCCc3nn2)cc1	EMOLS-id_26227733,MCULE-9651864757,PC-id_72059530	286.304	RKKNFMCZHBHKKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048020
Fc1ccc(C(=C)NNC(=O)c2n[nH]c3CCCc23)cc1	PC-id_2047726	286.304	DYBHCIAZBYVGBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048021
Fc1ccc(C(=NNC(=O)c2n[nH]c3CCCc23)C)cc1	PC-id_3975451	286.304	BZONGJDBHRSQAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048022
Fc1c(C=CC(=O)NCc2n3CCCc3nn2)cccc1	MCULE-3827890853,PC-id_72055520,EMOLS-id_26236758	286.304	MHYCBYYWULUMAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048023
O=C(C1NCc2c1c[nH]n2)Nc1ccc(cc1F)C1CC1	EMOLS-id_320226928,MCULE-5884248171	286.304	WXBCKAPWKXDABR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-048024
O=C(/C=Cc1ccccc1F)NCc1nnc2n1CCC2	CoCoCo_4658138	286.304	MHYCBYYWULUMAE-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048025
O=C(/C=C/c1ccccc1F)NCc1nnc2n1CCC2	ZINC22_32906563,PC-id_40143075,CoCoCo_4658137	286.304	MHYCBYYWULUMAE-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048026
O=C(/C=C/c1ccc(F)cc1)NCc1nnc2n1CCC2	ZINC22_12906784,PC-id_25593250,CoCoCo_4491059	286.304	RKKNFMCZHBHKKX-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048027
O=C(NCc1nnc2n1CCC2)/C=Cc1ccc(cc1)F	CoCoCo_4491060	286.304	RKKNFMCZHBHKKX-YVMONPNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-048028
C1CC(N(C1)S(=O)(=O)c1cnc2n1CCN2)C(=O)O	PC-id_135714646	286.308	XDKPODSLKNMLNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048029
CCNc1ccc(c(c1)F)N=C1C(=Nn2c1nc(n2)C)C	PC-id_102010485	286.308	RHDBOARLXFOLLT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-048030
O=C(N1CCCN(S1(=O)=O)C)c1nn2c(c1)OCC2	EMOLS-id_319227518	286.308	QFQHTVFYXLGLTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048031
c1(NC(=O)c2ccc(=O)[nH]n2)sc2c(CCC2)c1C#N	PC-id_108805378,EMOLS-id_182630391,MCULE-2336588870	286.309	GZEMVJGBSBIDEW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048032
c1(NC(=O)c2cnc[nH]c2=O)sc2c(CCC2)c1C#N	MCULE-8293502995,EMOLS-id_322838202	286.309	CATYVYGVUNVWRQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048033
N#Cc1cc(ccc1Nc1sc2c(n1)CCC2)[N+](=O)[O-]	PC-id_115501039	286.309	UNFQVDGMYFIZIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048034
N#Cc1cc(ccc1[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_115501038	286.309	AGGVXNOQSPWTMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048035
s1c2CCCc2nc1Nc1cc([N+](=O)[O-])c(cc1)C#N	PC-id_80036162	286.309	UWEZIFPYAUVNFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048036
s1nc(c([N+]#[C-])c1N/N=C/1c2n(N=C1C)nc(n2)C)C	PC-id_23542634	286.316	PPCPPSCNRFDURL-ZSOIEALJSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048037
s1nc(c([N+]#[C-])c1NN=C1c2n(N=C1C)nc(n2)C)C	PC-id_74061286	286.316	PPCPPSCNRFDURL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048038
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C#N	PC-id_958573,BAS-04435929,ZINC22_566910,SPECS-id_AN-153/I181359,CoCoCo_322427,SPECS-id_AP-970/41072220,EMOLS-id_1452976,MCULE-2938688451	286.324	SKQVORVLNZJWBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048039
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C#N	STOCK1S-76511,ZINC22_502278,SPECS-id_AN-153/I121211,SPECS-id_AP-263/40118452,BAS-04435939,EMOLS-id_1452980,PC-id_916181,CoCoCo_322429,MCULE-2217329755	286.324	YEJWXQRCGCEKFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048040
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C#N	CoCoCo_1074959,TIMTEC111049,EMOLS-id_5424198,ZINC22_4075647,PC-id_4607325,MCULE-5699083494	286.324	CVNRPVSUTJDJPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048041
s1c2CCCc2cc1C(=O)Nc1cc(c(F)cc1)C#N	PC-id_62317376	286.324	YYMBALVNUPRZFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048042
s1c2CCCc2cc1C(=O)Nc1c(cc(F)cc1)C#N	PC-id_79954688	286.324	LTRLOCJHTWEXGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048043
s1c2CCCc2cc1C(=O)Nc1c(c(F)ccc1)C#N	PC-id_43580400	286.324	WJSNDONJOKHCKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048044
s1c2CCCc2cc1C(=O)Nc1c(F)cc(cc1)C#N	PC-id_81648291	286.324	UKSXEFNCGBHAGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048045
c12C(CCc1n(c(Cc1ccccc1OC)n2)C)C(=O)O	MCULE-7284046132,PC-id_84010985	286.326	JLIHBHVXWBEXLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048046
c12C(CCc1n(c(COc1ccc(cc1)C)n2)C)C(=O)O	PC-id_84010996,MCULE-2786892025	286.326	JUAOQIFPKUJEBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048047
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)OC)n1	EMOLS-id_330984955,MCULE-1173066059	286.326	GKHFPEOTTVQJFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048048
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2OC)n1	MCULE-1687495579,EMOLS-id_330985471	286.326	JTMKJAYUSOOYHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048049
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(OC)c2)n1	EMOLS-id_330982398,MCULE-1154754447	286.326	GQPVMEIPPNVBAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048050
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)OC	MCULE-2858411900,EMOLS-id_330967991	286.326	RBHYCWNQHSBWGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048051
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1OC	MCULE-9289425607,EMOLS-id_330968507	286.326	DLQUDQJLZFXHMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048052
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(OC)c1	EMOLS-id_330965434,MCULE-2637293713	286.326	OFESRFZECBABSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048053
Cc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1cccn1C	PC-id_86735804	286.326	DGIZMTRZVXQPGD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-048054
CN(C(=O)c1occ2c1CCC2)CC(c1cccnc1)O	EMOLS-id_318858448	286.326	ZOHVIPCBYYJJLO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048055
COCCC(=O)c1nc2c(o1)CN(C2)Cc1ccccc1	PC-id_134690080	286.326	FRQHIABRGCNFGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048056
o1nc2CCCc2c1NC(=O)c1ccc(OC(C)C)cc1	PC-id_16942344	286.326	LXPKBHHFVSEXAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048057
OC1c2[nH]cc(c2N(C1)C(=O)OCc1ccccc1)CC	PC-id_57001475	286.326	XXYGUYUWCFQWLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048058
OC1Cc2n(nc(c2C1)C(=O)OCC)Cc1ccccc1	PC-id_83854075	286.326	BNEKLIFZCJVHEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048059
Oc1ccc(cc1)C(CNC(=O)c1[nH]c2c(c1)CCC2)O	MCULE-2997514024,EMOLS-id_320184247	286.326	ORHIPUJMQUILMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048060
O=C(c1n2CCCc2cc1)c1n(c(cc1C)CC(=O)O)C	SCHEMBL10999602,PC-id_13478514	286.326	OMTULVSUVJHKHP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-048061
O(Cc1[nH]c2CCC(c2n1)C(=O)O)c1ccc(CC)cc1	PC-id_84010928	286.326	SNNVQAWRMLJGLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048062
O=C(c1occ2c1CCC2)N1CCC(CC1)c1cnco1	EMOLS-id_319125504	286.326	XNIOZYGSSXGIJY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048063
OC(=O)C1CCc2n(c(nc12)Cc1ccc(OC)cc1)C	PC-id_84010974	286.326	JIOSETQTDUBKAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048064
OC(=O)C1CCc2n(c(nc12)CCOc1ccccc1)C	PC-id_84011012	286.326	LDWDRTVPYSYNDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048065
OC(=O)C1CCc2[nH]c(nc12)CCCOc1ccccc1	PC-id_84010926	286.326	XJMUMXZHBHOORV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048066
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C(=O)[O-]	PC-id_25706710	286.326	PGYCOJMXQYXARW-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-048067
s1c2c(CCC2)c(c1NC(=O)c1ccccc1)C(=O)[O-]	PC-id_4120433	286.326	JEEWRTJYBDZVBA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-048068
N#Cc1c(sc2c1CCC2)NS(=O)(=O)CC(=O)O	EMOLS-id_314843305,PC-id_43362168	286.327	WGVUJGWXWRLHBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048069
N#CCS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_314666950,PC-id_65552917	286.327	SOWNLCWGDYZBHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048070
c12CN(Cc1cnn2CCO)C(=O)CCc1cccnc1	ZINC22_67691610,EMOLS-id_36593000,MCULE-2761757420,PC-id_56750110	286.329	JLWJCFQIIJYBMC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048071
c1(C(=O)NCc2c3CCCc3[nH]n2)ccc(=O)[nH]c1CC	ZINC22_1940196916,MCULE-6069959761,EMOLS-id_336522685	286.329	DUWAXHSNMKGTJL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048072
c1(C(=O)NCc2ncc(c(O)c2C)C)c2CCCc2n[nH]1	EMOLS-id_82707273,EMOLS-id_318392089,PC-id_119061340,ZINC22_426410426,MCULE-6994379466	286.329	FKFNRAKRQJYMAN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048073
c1(C(=O)N(C)Cc2cc(OC)ccn2)c2CCCc2n[nH]1	MCULE-8005415919,EMOLS-id_82705293,ZINC22_426399020,PC-id_119060605	286.329	KQVNZPGDXCLFOR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048074
c1(C(=O)NC(C)C)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-8009223518,EMOLS-id_316324666	286.329	FRLFRLACDVEXCH-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048075
c1(C(=O)NC(C)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-8344837688,EMOLS-id_316254713	286.329	MKNWRKHERZBQFE-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048076
c1(C(=O)NC(C)C)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-9129765170	286.329	MKNWRKHERZBQFE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048077
c1(C(=O)NCCCOc2cccnc2)c2CCCc2[nH]n1	PC-id_91841630,ZINC22_244778729,MCULE-2059077275,EMOLS-id_55694269	286.329	PVKVGOCVZULPCN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048078
Cc1cc(c(cc1)C)NC(=O)Nc1nc(c2n1CCC2)O	PC-id_91936455,BindingDB_PC-id_91936455	286.329	BJJXPIBAFXDMFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048079
Cc1c(c(ccc1)NC(=O)Nc1nc(c2n1CCC2)O)C	PC-id_91936458,BindingDB_PC-id_91936458	286.329	AOFSXYLBVZAYDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048080
Cc1ccccc1OCC(=O)NCc1nnc2n1CCC2	CoCoCo_4560471,MCULE-4811410381,ZINC22_12803586,PC-id_25524154,EMOLS-id_18842300	286.329	MUSKWUINKNOBGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048081
Cc1cc(C)c(CNC(=O)c2n[nH]c3c2CCC3)c(=O)[nH]1	MCULE-1099453681,ZINC22_84072778,EMOLS-id_44496241,PC-id_71941321	286.329	QBWBACCHNXLJIH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048082
Cc1ccc(cn1)C(NC(=O)c1nn2c(c1)OCC2)(C)C	EMOLS-id_99811920	286.329	MFQIYVVXZKMMGK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048083
CC1(C)N(Cc2c(N)n[nH]c12)C(=O)OCc1ccccc1	SCHEMBL19312199,EMOLS-id_324119746	286.329	YJKRLAWECNNSCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048084
Cc1noc(c1)C1(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318948682	286.329	SGWHRISGOKTOJC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048085
Cc1noc(c1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98072320	286.329	VTAOXZOOQFZXBS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048086
CC(Cc1nc(O)cc(c1)C(=O)N1CCn2c1ncc2)C	EMOLS-id_318436605	286.329	UMSUIZLJRCXBGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048087
CCCc1[nH]c(=O)cc(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318965168	286.329	CPUVBRJESZKYNC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048088
CCCNC(=O)c1nc2CN(Cc3cccnc3)Cc2o1	EMOLS-id_46185397,PC-id_97407309,ZINC22_96088067	286.329	KTEWTNYGNLCCHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048089
CCCOc1cccc(c1)NC(=O)N1CCn2c1ncc2	MCULE-5820860714,EMOLS-id_318727292	286.329	DLXJKRGRHIJMDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048090
CCCOc1ccccc1NC(=O)N1CCn2ccnc12	ZINC22_585138267,EMOLS-id_177322973,MCULE-5419740548	286.329	ZWJQMHQBKJGKBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048091
CC(C(=O)NCc1cnc2n1CCC2)Oc1cccnc1	EMOLS-id_319569036	286.329	XZWHTPZASDUDFW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048092
C[C@H](Oc1ccccc1)C(=O)NCc1nnc2n1CCC2	ZINC22_54905075,PC-id_94584655	286.329	SDPFLFLJEZQEOV-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-048093
C[C@@H](Oc1ccccc1)C(=O)NCc1nnc2n1CCC2	ZINC22_54905080,PC-id_94584656	286.329	SDPFLFLJEZQEOV-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048094
CC(Oc1ccccc1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320135337,MCULE-5245732768	286.329	KFEJXDRZLYQRGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048095
CCOc1ccccc1C(=O)NCc1nnc2n1CCC2	MCULE-6149157446,ZINC22_12992894,CoCoCo_4474360,EMOLS-id_16689441,PC-id_17504013	286.329	AXESEQSBDOVHNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048096
CC(Oc1ccc(cc1)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319969721,MCULE-1125999121	286.329	XFJGABAJJQGLIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048097
CCOc1cc(C)ccc1NC(=O)N1CCn2c1ncc2	EMOLS-id_318402780,MCULE-9229849925	286.329	CRMHZPBUVAHONP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048098
CCOc1cccc(C(=O)NCc2nnc3n2CCC3)c1	MCULE-3388061043,EMOLS-id_36642822,PC-id_52375124,ZINC22_54834116	286.329	BXTQYNNSAYONGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048099
CCOc1ccc(cn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319897212,MCULE-7543143040	286.329	BPIGMKUANZZHIW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048100
CCOc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	CoCoCo_4491054,ZINC22_12992901,PC-id_17504026,MCULE-3028588185,EMOLS-id_16689459	286.329	FMCKBZFFDLQUSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048101
CCOc1ncccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319318414	286.329	GYEYFWLGNZLLFD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048102
CCOc1nccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319499862	286.329	HTYDLLMMCOVOIB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048103
CCOc1nccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318818229	286.329	MTPOARDUVXLXFP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048104
CCOc1ncccc1C(=O)NCc1n[nH]c2c1CCC2	MCULE-1173752195,PC-id_91795186,EMOLS-id_55704140,ZINC22_223638828	286.329	BAQPWGXAXJBONI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048105
CCOC(=O)c1ccc(cc1)NC1Cn2c(cc(n2)C)N1	SCHEMBL15033531,PC-id_136635253	286.329	PVKBOMYHVMBBOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048106
CCOC(=O)c1cc(ccc1N)Cc1nnc2n1CCC2	PC-id_103586457	286.329	JCDGVSASQOUEHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048107
CN(Cc1n[nH]c2c1CCC2)Cc1cccc(n1)C(=O)O	PC-id_74241757,EMOLS-id_49662676,MCULE-1347310692	286.329	VNVJFUGGFJCEMG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048108
CN(C(=O)c1nn2c(c1)CCC2)CC(c1cccnc1)O	EMOLS-id_319822795,MCULE-7326767880	286.329	FNKQPFNMPNZTKI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048109
CN(C(=O)c1n[nH]c2c1CCC2)CC(c1cccnc1)O	EMOLS-id_320012105,MCULE-1676467370	286.329	ZGIICBVXFBIPFK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048110
CN(C(=O)c1n[nH]c2c1CNC2)CCOc1ccccc1	SCHEMBL17501770,PC-id_118869771	286.329	VSMOIMVWFDYTGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048111
COc1cccc(c1C)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319584767	286.329	PIZGOPVUIDPZPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048112
COc1ccccc1CC(=O)NCc1nnc2n1CCC2	PC-id_47016884,MCULE-9939886519,EMOLS-id_30745769,ZINC22_48362452	286.329	DRDFQLJRVDPLBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048113
COc1ccccc1C(NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319187490	286.329	QQMBVWNGUHARFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048114
COc1ccccc1CN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319301381	286.329	UUQVFNSQDJXYDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048115
COc1cccc(c1)CN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319929424,MCULE-7500523146	286.329	KRNNRNSFJMESDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048116
COc1ccc(cc1)C(NC(=O)C1NCc2c1c[nH]n2)C	MCULE-9499191339,EMOLS-id_320185162	286.329	NNKHRLGHPJNCMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048117
COc1cc(C)ccc1CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319369019	286.329	UCXFEFAULXKQAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048118
COc1cc(C)c(cc1C)NC(=O)N1CCn2c1ncc2	EMOLS-id_319894606,MCULE-8573671164	286.329	FNBLOHUEJWDHCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048119
COc1cccc(CC(=O)NCc2nnc3n2CCC3)c1	ZINC22_40817179,PC-id_51074957,EMOLS-id_33301335,MCULE-4472966318	286.329	ZVXQUTYBIXVBGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048120
COc1ccc(CC(=O)NCc2nnc3n2CCC3)cc1	PC-id_51074956,MCULE-4298813317,ZINC22_54536133,EMOLS-id_33301333	286.329	NVQZKDXUTRCUNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048121
COc1cccc(n1)CC(=O)NCc1cnc2n1CCC2	MCULE-7087728988,EMOLS-id_320286725	286.329	IHLNFWXHFFNLRZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048122
COc1cc(C)cnc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319879545,MCULE-8022824558	286.329	AZAFVISZEULPOM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048123
COc1ccc(nc1)CC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98996117	286.329	WHIOFIWYWLIWMJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048124
COc1ccc(nc1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_318818214	286.329	VUGPCKSTMKGWQF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048125
COc1cccnc1CC(=O)NCc1cnc2n1CCC2	EMOLS-id_318931832	286.329	KWUUZXCYNQKRJX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048126
COc1cccnc1N(C)C(=O)c1c2c(nn1C)CCC2	PC-id_136570204,EMOLS-id_316958203,ZINC22_904039591,MCULE-7568917851	286.329	WYCXWPUZOSUMRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048127
COc1cc(CNC(=O)C2NCc3c2c[nH]n3)ccc1C	MCULE-3043453072,EMOLS-id_320083057	286.329	AWOKDUOKXCYOQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048128
COc1cc(C(=O)NCc2nnc3n2CCC3)ccc1C	MCULE-5729392867,PC-id_17503986,EMOLS-id_16689463,CoCoCo_4491072,ZINC22_12992903	286.329	MZQQVXMDYZVYFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048129
COc1ccnc(N(C)C(=O)c2c3c(nn2C)CCC3)c1	ZINC22_905971724,MCULE-5973178195,EMOLS-id_316979705,PC-id_136570551	286.329	PITKFSHKMGLPBQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048130
COc1cncc(c1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318773919	286.329	ROGULKKLWPCBIM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048131
COc1cncc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319772493	286.329	NKADWOIQTRQWJO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048132
COc1cnc(C)cc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_324096074,PC-id_146038618,ZINC22_1857667951,MCULE-5080232186	286.329	NYLMZUJZLLLBJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048133
COc1nc(C)ccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319945391,MCULE-6387747525	286.329	YPLUWJIMSXSNBL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048134
COCc1ccc(cc1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319315533	286.329	MJCQCALTQLXLDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048135
COCc1cccc(c1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319891678,MCULE-5757983407	286.329	LXZSJYFIPRHDBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048136
COC(c1ccccc1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_44496259,MCULE-2071454839,PC-id_71941313	286.329	FCLFCTGMZDCGBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048137
COCc1cncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320182345,MCULE-2607564495	286.329	BIQCKNRTGMXXMW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048138
CO[C@H](C(=O)NCc1nnc2n1CCC2)c1ccccc1	PC-id_96474317,ZINC22_78590006	286.329	FCLFCTGMZDCGBM-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048139
CO[C@@H](C(=O)NCc1nnc2n1CCC2)c1ccccc1	ZINC22_61422514,PC-id_94881786	286.329	FCLFCTGMZDCGBM-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048140
Oc1ccnc(n1)CCN(C(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_319004621	286.329	CNSTUDICJXWPOP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048141
OCc1ccc(cc1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319401129	286.329	KLTJXYMPKYGMLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048142
O=C(c1c(C)cc([nH]c1=O)C)NC1CC(n2c1ncc2)C	EMOLS-id_319621167	286.329	YHGSBXYTOUFWIA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048143
O=C(c1c(C)cc([nH]c1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319387857	286.329	XUCCQMFKXDDBLA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048144
OC(c1cccnc1)CN(C(=O)c1cnn2c1CCC2)C	MCULE-6371591359,EMOLS-id_319818384	286.329	INWLBGFJQIJTBI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048145
O=C(c1c(C)noc1C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320244733,MCULE-9479424651	286.329	LUNZYMMOGRJREG-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048146
O=C(c1cn2c(n1)CCC2)N1CCC(CC1)c1cnco1	EMOLS-id_319412741	286.329	VKZRJWLCUZSLFO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048147
O=C(c1cnc2n1CCC2)N1CCC(CC1)c1cnco1	EMOLS-id_319019017	286.329	DMLHRSOPAFJOAE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048148
O=C(c1cnn2c1CCC2)N1CCC(CC1)c1cnco1	EMOLS-id_319525325	286.329	FRKFXJCTSKOQHP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048149
O=C(c1cnn2c1CCC2)NCc1[nH]cc(c(=O)c1C)C	MCULE-2072864745,EMOLS-id_320165774	286.329	WBXQNHBCOJSWCX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048150
O=C(c1coc(n1)C1CCC1)NCc1cnc2n1CCC2	EMOLS-id_319444590	286.329	WVDUKZYEZJCQDD-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048151
O=C(c1coc(n1)C1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320035132,MCULE-7673460124	286.329	NNVAQCZCSXAWHU-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048152
O=C(C1NCc2c1c[nH]n2)NCc1ccc(cc1)C(O)C	EMOLS-id_319047325	286.329	ZYRLMEPEYQHYGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048153
O=C(C1NCc2c1c[nH]n2)NCC(c1ccc(cc1)C)O	EMOLS-id_319319832	286.329	BPAQGYWCZLEAEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048154
O=C(C1NCc2c1c[nH]n2)NCCOc1cccc(c1)C	EMOLS-id_318881582	286.329	HSFBXDJSTLBIPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048155
O=C(C1NCc2c1c[nH]n2)NCCOc1ccccc1C	EMOLS-id_319742865	286.329	IAMZFXBFIBAUQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048156
O=C(C1NCc2c1c[nH]n2)N(CCOc1ccccc1)C	EMOLS-id_320231567,MCULE-8628265569	286.329	WKLYNMCJQZCXTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048157
O=C(c1n(C)nc2c1CCC2)N1CCC(C1)c1nocc1	EMOLS-id_319042615	286.329	LAPYCDGBUNQHED-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048158
O=C(c1n(C)nc2c1CCC2)N1CCC[C@H]1c1nocc1	EMOLS-id_318956270	286.329	KRVXGYIBHMIFFX-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048159
O=C(c1n(C)nc2c1CCC2)N1CCC[C@@H]1c1nocc1	MCULE-9220653025,EMOLS-id_320062542	286.329	KRVXGYIBHMIFFX-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048160
O=C(c1[nH]c2c(c1)CCC2)N1CCCC(C1)c1ncon1	EMOLS-id_319669045	286.329	KXCPIAYKKKIXPR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048161
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)c1cnco1	EMOLS-id_319814497	286.329	FCUWHSFFDQJVBK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048162
O=C(c1nn2c(c1)OCC2)NCCCc1ccncc1C	EMOLS-id_319004348	286.329	WBHHDJNLYTYPHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048163
O=C(c1n[nH]c2c1CN(C2)Cc1cocc1)N1CCCC1	PC-id_97461970	286.329	QKPZVBFZSKOVRE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-048164
O=C(c1n[nH]c2c1CN(Cc1ccco1)C2)N1CCCC1	ZINC22_96187511,PC-id_97461969,EMOLS-id_44325295	286.329	BRKLRDJRNGXCOY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-048165
O=C(c1occ2c1CCC2)N1CCC(C1)c1nncn1C	MCULE-2873078698,EMOLS-id_320041224	286.329	IIGCWCUXFAGFLJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048166
O=C(c1occ2c1CCC2)N1CCC[C@@H]1c1n[nH]c(n1)C	EMOLS-id_319180709	286.329	LKFRVFLSZDMGLI-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048167
O=C(c1occ2c1CCC2)N[C@@H]1C[C@H](C1)Cn1cncn1	MCULE-6635561841,EMOLS-id_319984754	286.329	FXXHYMNOHPACOQ-UMSPYCQHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048168
O=C(c1oc(nc1C)C1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_99550163	286.329	GTJSZWXRUAFFDC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048169
O=C(c1oc(nc1C)C1CC1)NCc1cnc2n1CCC2	MCULE-1215714502,EMOLS-id_320122373	286.329	GZKGHIHYHUZYQW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048170
O=C(c1oc(nc1C)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319019565	286.329	LIRRXUCKWQGANP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048171
OC(Cc1ccccc1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319806873	286.329	HTQAWRMRDFYCMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048172
O=C(Cc1onc(c1)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_318879779	286.329	IIKYHVMNSVREIZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048173
O=C(Cc1onc(c1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319963119,MCULE-1116161685	286.329	GELDWTREJGNHNP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048174
O=C(C(Oc1ccccc1)C)NCc1nnc2n1CCC2	PC-id_53526496,MCULE-1676302603,EMOLS-id_36260947	286.329	SDPFLFLJEZQEOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048175
O=C(C(Oc1ccccn1)C)NCc1cnc2n1CCC2	EMOLS-id_319012665	286.329	UBZMMNMUPIEVLP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048176
O=C(C(Oc1cccnc1)C)NC1CC(n2c1ncc2)C	MCULE-4137676071,EMOLS-id_319990990	286.329	OHRXEULCVRBZJL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048177
O=C(N1CC(C1)(O)c1ccnn1C)c1[nH]c2c(c1)CCC2	EMOLS-id_319659113	286.329	QNFHJBGOBIBTPS-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048178
O=C(N1CCn2c1ccn2)c1ccc(o1)CN1CCCC1	EMOLS-id_319575856	286.329	WHSDUDAAYPIVKN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-048179
O=C(NC1CC(n2c1ncn2)C)Cc1ccc(cc1C)O	EMOLS-id_319264432	286.329	PQNQGSYYKATYBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048180
O=C(NC1CC(n2c1ncn2)C)CCc1cccc(c1)O	EMOLS-id_319412625	286.329	NMBXZKBLKRGLBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048181
OC(=O)c1ccc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_65347676	286.329	XOZFSTPXYQQWDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048182
C1Cc2c(C(=O)NN=Cc3c(C)nn(C)c3C)n[nH]c2C1	MCULE-9260912008,PC-id_5004182	286.332	HSMLCHCTKJMNIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048183
c1(C(=O)N2CCC(CC2)n2cnnc2)c2CCCc2[nH]n1	EMOLS-id_49882162,MCULE-3171328178,PC-id_77087556,ZINC22_215679429	286.332	SASHEXCPYDUVNY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048184
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)c2CCCc2[nH]n1	EMOLS-id_317521792,MCULE-4265682542,PC-id_137338735	286.332	ISMJGPFDPLALAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048185
c1nc(NCc2nnc3n2CCC3)cc([C@H]2CCOC2)n1	ZINC22_426500112	286.332	MVSREKDNOIRLAT-JTQLQIEISA-N	00000010100000100001100010000000000000000000000000000000	25-01-048186
c1nc(NCc2nnc3n2CCC3)cc([C@@H]2CCOC2)n1	ZINC22_426500117	286.332	MVSREKDNOIRLAT-SNVBAGLBSA-N	00000010100000100001100010000000000000000000000000000000	25-01-048187
Cc1ccc(c(n1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319655320	286.332	OLPLCNOFOALGNF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048188
CC1=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=C(C1=N)C)N	SCHEMBL13924441	286.332	GUPRNPQAPUNOON-RPZARWBRSA-N	00000010100011000001000010000000000000000000000000000000	25-01-048189
Cc1ncnc(C)c1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1857686722	286.332	DKLPOTUUXBECDN-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048190
Cc1ncnc(C)c1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1857686723	286.332	DKLPOTUUXBECDN-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-048191
Cc1[nH]nc(n1)[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319867257,MCULE-8232163764	286.332	AFYWXHUQCFFEOA-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048192
Cc1[nH]nc(n1)[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-5435618565,EMOLS-id_320129790	286.332	AFYWXHUQCFFEOA-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-048193
Cc1nnc2CC(CNC(=O)c3c(C)ncnc3C)Cn12	PC-id_145932211,MCULE-5567936028,EMOLS-id_323991113	286.332	DKLPOTUUXBECDN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048194
Cc1nnc2CC(CNC(=O)CNc3cccnc3)Cn12	MCULE-9612510987,EMOLS-id_324138589,PC-id_146041570	286.332	SMVIZQAFSJWEIW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048195
Cc1nnc2n1C[C@@H](CNC(=O)c1n[nH]c3c1CCC3)C2	ZINC22_1772704890	286.332	ISMJGPFDPLALAV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048196
Cc1nnc2n1C[C@H](CNC(=O)c1n[nH]c3c1CCC3)C2	ZINC22_1772704898	286.332	ISMJGPFDPLALAV-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-048197
Cc1nnc2n1C[C@@H](CNC(=O)CNc1cccnc1)C2	ZINC22_1857678840	286.332	SMVIZQAFSJWEIW-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048198
Cc1nnc2n1C[C@H](CNC(=O)CNc1cccnc1)C2	ZINC22_1857678841	286.332	SMVIZQAFSJWEIW-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-048199
Cc1nn(c(n1)C)C1CN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_102248418	286.332	KBCYSYYYQVSPAO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048200
Cc1nn(c(n1)C)C1CN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102248367	286.332	LWRMHEOJLOQJRF-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048201
Cc1nn(c(n1)C)C1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98054708	286.332	HZYBMTQLTLLEAD-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048202
CCc1nc(N)ncc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319899821,MCULE-3503571494	286.332	NJIADBXSJJMOQL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048203
C#CCCC1(CCC(=O)N[C@@H]2C[C@@H](C)n3ncnc23)N=N1	ZINC22_952883903	286.332	ZKNINULXXNBHNB-GHMZBOCLSA-N	00110010100000000001000010000000000000000000000000000000	25-01-048204
C#CCCC1(CCC(=O)N[C@H]2C[C@@H](C)n3ncnc23)N=N1	ZINC22_952883904	286.332	ZKNINULXXNBHNB-MNOVXSKESA-N	00110010100000000001000010000000000000000000000000000000	25-01-048205
C#CCCC1(CCC(=O)N[C@H]2C[C@H](C)n3ncnc23)N=N1	ZINC22_952883905	286.332	ZKNINULXXNBHNB-QWRGUYRKSA-N	00110010100000000001000010000000000000000000000000000000	25-01-048206
C#CCCC1(CCC(=O)N[C@@H]2C[C@H](C)n3ncnc23)N=N1	ZINC22_952883906	286.332	ZKNINULXXNBHNB-WDEREUQCSA-N	00110010100000000001000010000000000000000000000000000000	25-01-048207
C[C@H](NC(=O)c1cc(C2CC2)[nH]n1)c1nnc2n1CCC2	PC-id_95134439,ZINC22_65449347	286.332	VFKZEKGDPXEFOJ-QMMMGPOBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048208
C[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1nnc2n1CCC2	PC-id_95134440,ZINC22_65449348	286.332	VFKZEKGDPXEFOJ-MRVPVSSYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048209
C[C@H](NC(=O)NCc1nnc2n1CCC2)c1ccccn1	PC-id_97089188,ZINC22_89909950	286.332	BVQNVQVCIOEYPT-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-048210
C[C@@H](NC(=O)NCc1nnc2n1CCC2)c1ccccn1	ZINC22_89909952,PC-id_97089189	286.332	BVQNVQVCIOEYPT-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048211
CCn1nc(cc1C1CC1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319713628	286.332	HGBBTSQHKVDXFC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048212
CCNc1cccnc1C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319590384	286.332	IQUOEQCNCZNMLD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048213
CC(Nc1nnccc1C(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_319309724	286.332	UMRGSBPFLQJVEP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048214
CC(Nc1nnccc1C(=O)NC1CCn2c1ncc2)C	EMOLS-id_319520078	286.332	BFANGNNVHHWCHH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048215
CN1CCCC1c1n[nH]c(c1)C(=O)N1CCn2c1ncc2	EMOLS-id_316582350	286.332	PEQFXBHASWVHPQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048216
C(Nc1cc(ncn1)C1CCOC1)c1nnc2CCCn12	PC-id_119065645,EMOLS-id_82718789,MCULE-2623628573	286.332	MVSREKDNOIRLAT-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-048217
CNc1nc(C)ccc1C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_278965476	286.332	XZCRTCKMKQOMNM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048218
CN(C)c1cc(c(cc1)Nc1c(n2C=CCn2c1=O)N)N	PC-id_136626454	286.332	URCKHEMSDRZYEM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-048219
CN(C)c1cc(C(=O)NCc2nnc3n2CCC3)ccn1	ZINC22_40540833,EMOLS-id_31976908,MCULE-6254907343,CoCoCo_4920873,PC-id_45827167	286.332	BOHGPEXWYWCPGD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048220
CN(Cc1ccnc(c1)NC(=O)N1CCn2c1ncc2)C	MCULE-7322553993,EMOLS-id_320332663	286.332	PIXOQOIPQNSLQG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048221
CN(Cc1nnc2n1CCC2)C(=O)c1cc(C2CC2)[nH]n1	EMOLS-id_35706618,PC-id_53499933,ZINC22_65393152,MCULE-5188931815	286.332	RWKMSSNHHBPHOR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048222
COc1cccc(c1)NC(=NCc1nnc2n1CCC2)N	PC-id_119117941	286.332	XCHPZZOVBRRBHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048223
COc1ccc(cc1)NC(=NCc1nnc2n1CCC2)N	PC-id_119117943	286.332	AYESWQJIWOHNGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048224
Nc1ccc(nc1)CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_107338050	286.332	WTPBSSGXXPVZEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048225
NCc1nccc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_114325739	286.332	UUUZDBWEAOBGQB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048226
NCc1nccc(c1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_114326065	286.332	HFLPRLODQRWTNH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048227
O=C(C1(CCC1)Cc1cnn[nH]1)NC1CCn2c1ncc2	EMOLS-id_319119693	286.332	YZHVFRUDCOXOCG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048228
O=C(C1(CCC1)Cc1[nH]nnc1)NC1CCn2c1cnc2	EMOLS-id_319466348	286.332	MMXWLYOIGWNWQN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048229
O=C(c1cn2c(n1)CCC2)NC1CC(C1)Cn1nncc1	EMOLS-id_319234817	286.332	UZYFLEDCAHEGQH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048230
O=C(c1cnc2n1CCC2)N1CCC[C@@H]1c1n[nH]c(n1)C	EMOLS-id_319012325	286.332	HKRDPJHNTBAYQV-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048231
O=C(c1cnc2n1CCC2)N1CCC[C@H]1c1n[nH]c(n1)C	EMOLS-id_319782279	286.332	HKRDPJHNTBAYQV-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-048232
O=C(c1cnc2n1CCC2)NC1CC(C1)Cn1nncc1	EMOLS-id_319086752	286.332	PMXYHBYIWNSLCH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048233
O=C(c1cnc2n1CCC2)NCc1nnn(c1)C1CCC1	MCULE-2547051152,EMOLS-id_316439907	286.332	IOIHEOCMUCMBGX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048234
O=C(c1cnc(cn1)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319324329	286.332	JTGMUACVKCFTOQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048235
O=C(c1cnn2c1CCC2)N1CCCC(C1)n1nncc1	EMOLS-id_102128749	286.332	XZPDNABPKRUDRP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048236
O=C(c1cnn2c1CCC2)N1CCC[C@@H]1c1n[nH]c(n1)C	EMOLS-id_318862527	286.332	ZDESXHGVAILILA-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048237
O=C(c1cnn2c1CCC2)N1CCC[C@H]1c1n[nH]c(n1)C	EMOLS-id_319831656	286.332	ZDESXHGVAILILA-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048238
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H](C1)Cn1cncn1	EMOLS-id_318829933	286.332	XAVRQJMRDPEFIT-XYPYZODXSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048239
O=C(c1cnn(c1)CC1CC1)NC1CC(n2c1ncn2)C	EMOLS-id_316634160	286.332	LGAUDHYNFSMDPA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-048240
O=C(C1NCc2c1c[nH]n2)N1CCCC(C1)c1ccn[nH]1	EMOLS-id_318976543	286.332	QLCCQJGBTZCGMY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048241
O=C(C1NCc2c1c[nH]n2)Nc1cc(nn1C)C1CCC1	EMOLS-id_319348037	286.332	JHDKJKMFFAWQDC-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048242
O=C(C1NCc2c1c[nH]n2)Nc1cnc(nc1)C(C)(C)C	EMOLS-id_319185118	286.332	WVRMAWNYCQPMQP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048243
O=C(C1NCc2c1c[nH]n2)NCc1ccc(nc1)N(C)C	EMOLS-id_319351577	286.332	MYTRBKGKHVYNQJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048244
O=C(C1NCc2c1c[nH]n2)NCc1ccnc(c1)N(C)C	EMOLS-id_319307030	286.332	PEIDHXRTVBBPMC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048245
O=C(C1NCc2c1c[nH]n2)NCc1nccc(c1)N(C)C	EMOLS-id_320019177,MCULE-5733550590	286.332	RNOZLIQJRWKTNN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048246
O=C(C1NCc2c1c[nH]n2)NCc1nn(c(c1)C1CC1)C	MCULE-4421098305,EMOLS-id_320254087	286.332	KTBFUWKIQJEBCA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048247
O=C(c1ncccc1N(C)C)NC1CC(n2c1ncn2)C	EMOLS-id_258127407,MCULE-7368393436	286.332	XGLUWMPQUJZFIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048248
O=C(c1n(C)nc2c1CCC2)N1CCC[C@@H]1c1n[nH]cn1	MCULE-4095627815,EMOLS-id_320327200	286.332	YUWBTRVMDGLFDM-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048249
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)n1nncc1	EMOLS-id_102128716	286.332	DEGHMRZXGXYRQS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048250
O=C(c1nn2c(c1)CCC2)NC1CC(C1)Cn1nncc1	EMOLS-id_320205029,MCULE-8100769703	286.332	JNRYIRJSLKZWNZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048251
O=C(c1nn2c(c1)CCC2)N[C@@H]1C[C@H](C1)Cn1cncn1	EMOLS-id_319431636	286.332	CYURBHLNUFBXFB-XYPYZODXSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048252
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)n1nncc1	EMOLS-id_102133846	286.332	LYPDCOXOQBQYJW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048253
O=C(c1n[nH]c2c1CCC2)NC1CC(C1)Cn1nncc1	EMOLS-id_318866733	286.332	DZAUVYKARBLBGD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048254
O=C(c1n[nH]c2c1CCC2)NCc1nnc(n1C)C1CC1	EMOLS-id_98952942	286.332	IYKLUTGBWUAREM-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048255
O=C(c1n[nH]c2c1CCC2)NCc1nnn(c1)C1CCC1	EMOLS-id_318351766	286.332	GDOYCOXLYASDPS-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048256
O=C(c1n[nH]c2c1CCC2)N[C@@H]1C[C@H](C1)Cn1cncn1	EMOLS-id_319427375	286.332	AVKOZQVTZAIWLD-MGCOHNPYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048257
O=C(c1n[nH]c(c1)C1CC1)NC(c1nnc2n1CCC2)C	PC-id_53505833,MCULE-9703378564,EMOLS-id_35706350	286.332	VFKZEKGDPXEFOJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048258
O=C(c1nnn(c1)C1CCC1)NCc1cnc2n1CCC2	EMOLS-id_318869781	286.332	DAFHLMDZRSHJRV-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048259
O=C(c1nnn(c1)C1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320150823,MCULE-4327524222	286.332	ILKUQXLDXOKVQV-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048260
O=C(c1nnn(c1)CC1CC1)NCc1cnc2n1CCC2	MCULE-1802714690,EMOLS-id_320292102	286.332	LWRWTABRTGZKJZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-048261
O=C(c1nnn(c1)CC1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318946887	286.332	MMNSCGAGULSFCI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-048262
O=C(Cc1n[nH]c(n1)C1CC1)NCc1nn2c(c1)CCC2	EMOLS-id_319734736	286.332	VGVMFUXSPGODJR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048263
O=C(Cc1n[nH]c(n1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319795551	286.332	DYSVKRLGPLXBRT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048264
O=C(N1CCC[C@H]1c1n[nH]c(n1)C)c1cn2c(n1)CCC2	MCULE-4802357667,EMOLS-id_320252847	286.332	RQVNRBLOCZKONQ-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-048265
O=C(N1CCC[C@H]1c1n[nH]c(n1)C)c1nn2c(c1)CCC2	EMOLS-id_320085505,MCULE-5639737767	286.332	SPGAUNCFWSIBJF-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048266
O=C(N1CCn2c1ncc2)Nc1nccc(n1)C(C)(C)C	EMOLS-id_318876908	286.332	JJURYXIYPOSJOH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048267
O=C(NC1(c2nn[nH]n2)CCCC1)c1cc2n(c1)CCC2	ZINC22_2325798867	286.332	GNBQPVCAACEZBE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048268
O=C(NC1CC(n2c1ncc2)C)Cc1n[nH]c(n1)C1CC1	EMOLS-id_318910573	286.332	DTIUFHLVFKQQEZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048269
O=C(NC(c1ccccn1)C)NCc1nnc2n1CCC2	EMOLS-id_45752553,PC-id_71895109,MCULE-1355096670	286.332	BVQNVQVCIOEYPT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048270
O=C(N(Cc1n2CCCc2nn1)C)c1cc(N)cc(N)c1	PC-id_61108030	286.332	GDZWIHXSXHFHRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048271
O=C(N(Cc1n2CCCc2nn1)C)c1c(ncc(N)c1)C	PC-id_61107840	286.332	RJRXFLKLOLMDQC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048272
O=C(N(Cc1n2CCCc2nn1)C)c1c(N)cc(N)cc1	PC-id_61108029	286.332	ZYQPJNWMULPGAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048273
O=C(NC(c1n2CCCc2nn1)C)c1n[nH]c2c1CCC2	PC-id_78879554	286.332	FPUDLLDQZLWZIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048274
O=C(NC(c1nnc2n1CCC2)C)Cc1ccc(cn1)N	PC-id_107337715	286.332	ROOOCLUVHXTOEG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048275
O=C(NCCc1n2CCCc2nn1)c1n[nH]c2c1CCC2	PC-id_78879551	286.332	HYUQAWAPMHOENB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048276
O=C(N/N=C/c1c(n(nc1C)C)C)c1n[nH]c2CCCc12	PC-id_9688383	286.332	HSMLCHCTKJMNIR-VIZOYTHASA-N	00000010100000000001000010000000000000000000000000000000	25-01-048277
Cc1c(c(n[nH]1)NC(C)N)/C=c
/c(nn2c1nc(n2)C)C	PC-id_137103583	286.336	FNGZFUFBRVNXRY-WZUFQYTHSA-N	00000000100000000001000010000000000000000000000000000000	25-01-048278
C/C(=N/C1NN=C(C1/C=c
/c(C)nn2c1nc(n2)C)C)/N	PC-id_144597558	286.336	NCZRLDADEGWJCF-WZUFQYTHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048279
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986678,MCULE-7889659045	286.344	RDLCJTBSVSZXHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048280
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987190,MCULE-4263058103	286.344	QLGGDXYGVHCNQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048281
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987703,MCULE-6984067709	286.344	JUSWCIBNBJVUAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048282
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1C=O	MCULE-3850751266,EMOLS-id_330987443	286.344	DSZTUJHBFZIANZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048283
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986934,MCULE-1028680186	286.344	WPWKWGMPQKYPAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048284
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987187,MCULE-5987467185	286.344	CBJXWCPVFHZVTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048285
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987701,MCULE-9973964968	286.344	ZKIHFRDZIUIMBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048286
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1C=O	MCULE-8555526740,EMOLS-id_330987957	286.344	XOCINEDSOKBFJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048287
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1C=O	MCULE-7132252675,EMOLS-id_330987447	286.344	BDDJLHZREHCNTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048288
C1c2cocc2C[N+]1(CCCC(=O)O)Cc1ccccc1	PC-id_88322131	286.346	SWGHWMATNVDACQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-048289
CC(=O)c1ccc(OC(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_3262468,ZINC22_3425178,MCULE-9144053984,EMOLS-id_3310101,PC-id_2544520	286.346	QIESPHGJAZYDGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048290
COC(=O)C1CCc2c1scc2C(=O)c1ccccc1	SCHEMBL10745796,PC-id_20213610	286.346	WCYSTZCURQLFKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048291
OC(=O)C1CCc2c1c(c(s2)C)C(=O)c1ccccc1	SCHEMBL10740656,PC-id_20213607	286.346	OGGGZOWWKJJGEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048292
OC(=O)C1CCc2c1sc(c2C(=O)c1ccccc1)C	SCHEMBL10741885,PC-id_13588810	286.346	OCCHJENURXSHPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048293
CC1CC(c2n1ncn2)NC1(CC1)Cc1ccc(cc1)F	MCULE-4888856748,EMOLS-id_318462301	286.347	PQSABIVBFZLUGQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-048294
CC1CC(c2n1ncn2)NC1(CCC1)c1ccc(cc1)F	MCULE-7721965360,EMOLS-id_318707180	286.347	JJUKYCTXBSRLHP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-048295
CC1CC(c2n1ncn2)NCC1(CC1)c1ccc(cc1)F	EMOLS-id_318496666,MCULE-5060188964	286.347	KBSGZFKDXKHNMA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-048296
CC1CC(c2n1ncn2)NC(c1ccc(cc1)F)C1CC1	MCULE-4687031232,EMOLS-id_318705198	286.347	JMBDMLZXUKFXAN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-048297
COCC(CNc1nc2c(s1)CCC2C(=O)O)OC	PC-id_105713343	286.347	PVYSDIKFEBTIAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048298
COCCOCCNc1nc2c(s1)CCC2C(=O)O	PC-id_113395728	286.347	PJVORCSKIFIAMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048299
Fc1cccc(c1)C1(CNC2CC(n3c2ncn3)C)CC1	MCULE-4545219849,EMOLS-id_318558600	286.347	NYAMXDAKAVFVAS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-048300
Fc1ccccc1[C@@H]1C[C@H](C1)NC1CC(n2c1ncn2)C	EMOLS-id_318702969,MCULE-3576740180	286.347	PEOQHUSGRJFBNP-SSYONQAESA-N	00001010100000110001100010000000000000000000000000000000	25-01-048301
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NC1CC(n2c1ncn2)C	EMOLS-id_318708906,MCULE-1674094704	286.347	GUZSRRWIHWWQLN-IFPNVHFESA-N	00001010100000110001100010000000000000000000000000000000	25-01-048302
Fc1cccc(c1)[C@@H]1C[C@H](C1)NC1CC(n2c1ncn2)C	MCULE-6562350097,EMOLS-id_318543659	286.347	IFTKXRYGZUAAAX-IFPNVHFESA-N	00001010100000110001100010000000000000000000000000000000	25-01-048303
Fc1ccc(cc1CNC1CC(n2c1ncn2)C)C1CC1	MCULE-9081377531,EMOLS-id_318668932	286.347	DFNBORHDWCZGMJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-048304
Fc1ccccc1N1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318180312,MCULE-6555179138	286.347	FEIRFFOLMURHMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-048305
C1c2c(C(=O)N1)sc(c2)N(CCc1ccccc1)C=O	PC-id_88744415,SCHEMBL11218378	286.349	CUALPSKOUZZEMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048306
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1ccc(cc1)O	PC-id_135749588	286.349	AIHJPWGKCWKUBI-CXUHLZMHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048307
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1ccccc1O	PC-id_135749589	286.349	PVJQYNSMJINABR-CXUHLZMHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048308
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)N	BAS-06181614,PC-id_712900,ZINC22_106317,SCHEMBL5453337,EMOLS-id_1477720,BindingDB-id_140350,CK1186833,MCULE-2086025840,CoCoCo_346196,BindingDB_PC-id_712900,CHEMBL1449597,ChEMBL-DNDi_CHEMBL1449597	286.349	WUXSRILVTCNVAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048309
c1(NC(=O)c2cc(oc2C)C)sc2c(CCC2)c1C#N	MCULE-5310581026,ZINC22_28225528,EMOLS-id_15293306,PC-id_35523716,CoCoCo_6452828	286.349	QYFUCBSLOHCWFG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048310
NC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	CoCoCo_3297435,MCULE-3663252882,EMOLS-id_11866432,PC-id_16390400,ZINC22_12599823	286.349	DZVCSQFFGIUVCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048311
NC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	MCULE-1695997738,PC-id_2348571,CoCoCo_3335971,ZINC22_3230503,EMOLS-id_2984540,CK1431938	286.349	BPGLBDTYHCJAIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048312
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C(=O)N	PC-id_47112363	286.349	WUIHXPBRHACWAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048313
s1c2CCCc2cc1C(=O)NN/C=C
/C=CC(=O)C=C1	PC-id_9462392	286.349	XMEGHPQFJQBHRX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-048314
s1c2CCCc2cc1C(=O)NN=Cc1cc(O)ccc1	PC-id_85015531	286.349	JCKHHUDUNQXGEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048315
s1c2CCCc2cc1C(=O)NNC=C1C(=O)C=CC=C1	PC-id_9462394	286.349	STIPBENVXIXBSZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-048316
s1c2CCCc2cc1C(=O)NNC(=O)c1ccccc1	PC-id_27684422	286.349	YOJJKCGDLAQDFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048317
s1c2c(CCC2)c(c1N=Cc1cccnc1)C(=O)OC	PC-id_23941109	286.349	UOYOXLHWBNNNCW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048318
s1c2c(CNC2=O)cc1NC(=O)CCc1ccccc1	PC-id_56606354	286.349	QWENZGAALBVVDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048319
c1(C(=O)NCCN(C)S(=O)(=O)C)c2CCCc2n[nH]1	ZINC22_426653022,MCULE-3179271906,PC-id_119072221,EMOLS-id_82736431	286.351	WBAOFIXCZXAMTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048320
c1(C(=O)NCCS(=O)(=O)N(C)C)c2CCCc2n[nH]1	PC-id_119074036,MCULE-2082595686,EMOLS-id_82741357,EMOLS-id_323258804,ZINC22_291506625	286.351	IFIPASQBUQHUPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048321
CS(=O)(=O)NCCC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_55619206,MCULE-4919554523,PC-id_91830837,ZINC22_252487768	286.351	IBISBMQMWLHLBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048322
NC(=O)[C@@H]1NCc2c1c(nn2S(=O)(=O)C)C(C)(C)C	PC-id_141411257	286.351	HBDCMXMKUAMAOP-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048323
O=C(c1nn2c(c1)CCC2)NS(=O)(=O)NC(C)(C)C	EMOLS-id_320115476,MCULE-2907278275	286.351	BAAYDQDLQMEWAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048324
O=C(CN(S(=O)(=O)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110789457	286.351	WFSOCMOABJEETE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048325
O=C(C(NS(=O)(=O)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110789530	286.351	YUFGFSLOGFUEEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048326
O=C(C(S(=O)(=O)C)C)N(Cc1nnc2n1CCC2)C	EMOLS-id_45752727,PC-id_71894991,MCULE-1544147128	286.351	LZMPSSRXYYNKCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048327
O=C(N1CCn2c1ncc2)CS(=O)(=O)NC(C)(C)C	EMOLS-id_279043927	286.351	IXDNRRLYABPVGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048328
O=S(=O)(N1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320115933,MCULE-6603458483	286.351	MLUDVOGMFMYLOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048329
c1(C#N)c2CCCc2sc1NC(=O)c1cnn(C)c1C	TIMTEC538970,ZINC22_2780633,EMOLS-id_3983235,MCULE-5652527631,PC-id_4771064	286.352	WZCHBQQHJXRFBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048330
c1(C#N)c2CCCc2sc1NC(=O)c1cnn(CC)c1	EMOLS-id_3983243,PC-id_4770761,ZINC22_2780302,MCULE-4812590011	286.352	JSSNBSTVCUHKHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048331
c1(NC(=O)c2c(C)cnn2C)sc2c(CCC2)c1C#N	EMOLS-id_31506301,ZINC22_49422397,PC-id_49669382,MCULE-1333714189	286.352	DFHHTDCCGYSFKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048332
c1(NC(=O)c2ccn(CC)n2)sc2c(CCC2)c1C#N	MCULE-1049686808,CoCoCo_5806214,TIMTEC260004,SPECS-id_AK-968/41017471,PC-id_841817,ZINC22_372047,EMOLS-id_3983247	286.352	KFSGNLUEAPEJDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048333
Cc1cc2[nH]c(C(=O)N3Cc4cnn(C)c4C3)cc2s1	ZINC22_1154007755	286.352	KWFXSEFSQCCAJS-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-048334
CN(C)c1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1	EMOLS-id_324838380	286.352	MSQCDOIGWFHBCX-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048335
COc1ncc(cc1C#N)NCc1sc2c(n1)CCC2	EMOLS-id_318704652,MCULE-5175478848	286.352	JMPYIWHMBMDNKN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048336
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)C	MCULE-4562823083	286.352	MSQCDOIGWFHBCX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048337
NC1=CC(=[N+](C)C)C=C/C/1=Nc1c(=O)n2n(c1C)CCC2	SCHEMBL3853974	286.352	QFZSGMHMAXXUKA-GHRIWEEISA-O	00000010100011000001000010000000000000000000000000000000	25-01-048338
N#Cc1c(NC(=O)c2nn(cc2C)C)sc2c1CCC2	CoCoCo_5260991,PC-id_45496918	286.352	HTPQCTIIPKSKAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048339
O=C(c1cc2c([nH]1)ccs2)NCc1n[nH]c2c1CCC2	EMOLS-id_318885935	286.352	SBAUVDIRAUTJIL-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-048340
O=C(c1cc2c([nH]1)scc2)NCc1cnc2n1CCC2	EMOLS-id_319367883	286.352	MFGLASAILPRPPK-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-048341
s1c2CCCc2c(c1NC(=O)c1c([nH]nc1C)C)C#N	PC-id_61259110	286.352	DIIFMDIXZCVLRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048342
s1c2CCCc2c(c1NC(=O)c1n(cc(N)c1)C)C#N	PC-id_61116931	286.352	JUGBOYNLSWXIBZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-048343
s1c2CCCc2c(c1NC(=O)c1nn(c(c1)C)C)C#N	PC-id_16952139	286.352	JVLQRPXBMUNAQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048344
s1c2CCCc2c(c1NC(=O)c1n(ncc1)CC)C#N	PC-id_49695153	286.352	IAZKDCFDYNXACF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048345
S1C(C(=O)n2c1nnc2)C=Cc1ccc(N(C)C)cc1	PC-id_18891888	286.352	FBVRTZRYOFCPRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048346
N#Cc1ccc(cc1CNCc1sc2c(c1)CCC2)F	PC-id_107904019	286.367	YKGKUXNWSSBPIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048347
N#Cc1cccc(c1F)CNCc1sc2c(c1)CCC2	PC-id_107114469	286.367	RJRUJZYJOMLUSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048348
N#Cc1cc(CNCc2sc3c(c2)CCC3)ccc1F	PC-id_107880110	286.367	OCQNKFCZPFZDJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048349
s1c2c(CCC2)cc1CNCc1cc(ccc1F)C#N	PC-id_61207613	286.367	GQMOLZICXAJLRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048350
s1c2c(CCC2)cc1CNCc1cc(cc(F)c1)C#N	PC-id_81542418	286.367	HCBDOCSDYJCHET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048351
s1c2c(CCC2)cc1CNCc1c(F)cc(cc1)C#N	PC-id_61207612	286.367	QKDZWRLPRAOELW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048352
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)OCCC	MCULE-1902335400,EMOLS-id_331021551	286.369	IRGAGDWNLSLFTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048353
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)OC(C)C	MCULE-7219416283,EMOLS-id_331021807	286.369	JAYXJFLHVBHTBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048354
Cc1cnc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261716	286.369	HHLIFAPYQIFHAH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048355
CCc1c(Cc2[nH]c3c(c2C)CCC3=O)[nH]c(c1C)OC	PC-id_68377151,SCHEMBL12799177	286.369	YLMUUVLQILKPDC-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-048356
CCCOc1ccc(Cn2nc3CCC(C)c3c2O)cc1	MCULE-3139313264,EMOLS-id_331002285	286.369	DEHVHYNTEGSMLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048357
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2O)cc1	MCULE-5921368498,EMOLS-id_331002541	286.369	BMIVKTGRRRTSGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048358
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1O	EMOLS-id_331006887,MCULE-2215448790	286.369	DWDBNAYKZKZMDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048359
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1O	MCULE-2892765821,EMOLS-id_331009700	286.369	FNKFVHGLESUDFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048360
CCOc1ccccc1Cn1nc2CCC(C)c2c1CO	MCULE-7448097676,EMOLS-id_330993075	286.369	TUKYIOQWLKHRMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048361
CCOc1ccccc1Cn1nc(CO)c2C(C)CCc12	EMOLS-id_331006201,MCULE-9124373568	286.369	MIKNRPNAHKTBMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048362
CCOc1ccc(Cn2nc3CCC(C)c3c2CO)cc1	EMOLS-id_330991538,MCULE-3570752437	286.369	IDMWOYOPSBJUSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048363
CCOc1ccc(Cn2nc3CCC(C)c3c2O)cc1C	EMOLS-id_331003053,MCULE-1267770334	286.369	YODMJCXEAWVYGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048364
CCOc1ccc(Cn2nc3CCC(C)c3c2O)c(C)c1	EMOLS-id_331005100,MCULE-3326371399	286.369	ZGHRNMHDRNYLOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048365
CCOc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1	EMOLS-id_331008759,MCULE-4130119135	286.369	RAJJIDCLCUDPMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048366
CCOc1ccc(Cn2nc(O)c3C(C)CCc23)cc1C	MCULE-4112931792,EMOLS-id_331022319	286.369	YLSOFKDVRUJAAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048367
CCOc1ccc(Cn2nc(O)c3C(C)CCc23)c(C)c1	MCULE-6980594066,EMOLS-id_331020271	286.369	SNYKPCZQTSKLKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048368
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1O	EMOLS-id_331008164,MCULE-4476643648	286.369	IGIJZRBIVSRIHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048369
COc1ccccc1C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330990270,MCULE-9421776104	286.369	ZCSCKCQUJAIRCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048370
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CO	MCULE-8347748317,EMOLS-id_330990522	286.369	MGEORJGAANXAQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048371
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1CO	MCULE-9399885943,EMOLS-id_330993340	286.369	NSBGAXMNNUXDTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048372
COc1ccc(cc1OC)C(C)(C)c1n[nH]c2CCCc12	EMOLS-id_337933591	286.369	VFZZIKLKXWVDOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048373
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1CO	EMOLS-id_330993331,MCULE-5697859249	286.369	ADRGBFRBNYNWKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048374
COc1ccc(C)cc1Cn1nc(CO)c2C(C)CCc12	EMOLS-id_331006457,MCULE-8378409379	286.369	VKFWVUNUNQXJIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048375
COc1ccc(C)c(Cn2nc3CCC(C)c3c2CO)c1	MCULE-7927328968,EMOLS-id_330990776	286.369	IWWVLTWDTRSTJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048376
COc1ccc(C)c(Cn2nc(CO)c3C(C)CCc23)c1	MCULE-5527780492,EMOLS-id_331007997	286.369	XNSKQTPUNPNJAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048377
COc1cccc(Cn2nc3CCC(C)c3c2CO)c1C	EMOLS-id_330990520,MCULE-1511167312	286.369	OCEYENGEWNUMBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048378
COc1c(C)cc(Cn2nc3CCC(C)c3c2O)cc1C	MCULE-8438276852,EMOLS-id_331002797	286.369	OZTZCYZHIIEKLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048379
COc1cc(C)c(Cn2nc3CCC(C)c3c2O)cc1C	MCULE-9264264157,EMOLS-id_331002029	286.369	CFRBGJJWFTXPJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048380
COc1ccc(C(C)n2nc3CCC(C)c3c2O)c(C)c1	MCULE-1292295465,EMOLS-id_331008420	286.369	ZYCQKQFKEPRZHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048381
COc1cccc(Cn2nc(CO)c3C(C)CCc23)c1C	EMOLS-id_331007741,MCULE-8089041218	286.369	LBVSWLQKVNPBIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048382
COc1c(C)cc(Cn2nc(O)c3C(C)CCc23)cc1C	EMOLS-id_331022063,MCULE-6874101557	286.369	VMPQMZIOYNBKFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048383
COc1cc(C)c(Cn2nc(O)c3C(C)CCc23)cc1C	MCULE-3659955245,EMOLS-id_331021295	286.369	UMKODUHUDHOXMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048384
COc1ccc(Cn2nc3CCC(C)c3c2CO)cc1C	EMOLS-id_330988479,MCULE-5057109582	286.369	WACHWOCGEJUOSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048385
COc1ccc(Cn2nc3CCC(C)c3c2O)c(C)c1C	MCULE-9577480769,EMOLS-id_331005868	286.369	CAJVZYILOSGVOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048386
COc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1C	EMOLS-id_331009780,MCULE-8498571813	286.369	YVHXXIUXLQCJJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048387
COc1ccc(Cn2nc(O)c3C(C)CCc23)c(C)c1C	EMOLS-id_331021039,MCULE-6096386434	286.369	GMJHXSNOWFPYAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048388
COc1cc(Cn2nc3CCC(C)c3c2CO)ccc1C	MCULE-3331063902,EMOLS-id_330990002	286.369	BXMLWZATBRHJRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048389
COc1cc(Cn2nc(CO)c3C(C)CCc23)ccc1C	MCULE-7625542496,EMOLS-id_331007223	286.369	HWVSPYHFRIKRNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048390
COCc1ccccc1Cn1nc2CCC(C)c2c1CO	MCULE-1914666274,EMOLS-id_330991032	286.369	ZKRFPYXLKKQQRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048391
COCc1ccccc1Cn1nc(CO)c2C(C)CCc12	EMOLS-id_331008253,MCULE-4810945945	286.369	DBPRSHVGNIDNBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048392
CS(=O)(=O)N1CCc2sc(cc12)C(=O)NC1CC1	PC-id_97407204,EMOLS-id_46185203,ZINC22_96087952	286.37	VANHSEIBYDBENC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-048393
O=C([C@@H]1CCS(=O)(=O)C1)Nc1sc2c(n1)CCC2	GD-id_ZINC48379892	286.37	ZMDXIUPZVRKZOA-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048394
O=C(NS(=O)(=O)N1CCC1)c1cc2c(s1)CCC2	EMOLS-id_316982136,ZINC22_1775985064,MCULE-4356925302,PC-id_136560898	286.37	OZTXONXPKYDGPI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-048395
c1(C(=O)C)cc(n(C)c1)CN(C)Cc1c2CCCc2[nH]n1	EMOLS-id_49869382,MCULE-4099266558,PC-id_77080279,ZINC22_215091143	286.372	FALBZTWXYTWCHJ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-048396
CC1CC(c2n1ncn2)Nc1cccc(c1)OC(C)(C)C	MCULE-6036611294,EMOLS-id_318516616	286.372	YSKOBQTZRCRLOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048397
Cc1cccc(c1OCCNC1CC(n2c1ncn2)C)C	MCULE-9777408517,EMOLS-id_258181989	286.372	GNMYYROHHGJSOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048398
CCC(c1cccc(n1)OC)NC1CC(n2c1ncc2)C	EMOLS-id_319678676	286.372	OCWROXWMENIBSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048399
CC(Cc1c[nH]c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_320182588,MCULE-1716376487	286.372	BGTOSOIYBOBZNQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-048400
CCC(C)N1Cc2c(C1)[nH]nc2COCc1cnccc1	PC-id_134689323	286.372	DGIHUCFBAQXMRZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048401
CC(NC(c1nnc2n1CCC2)C)Cc1ccc(cc1)O	PC-id_115494183	286.372	YWTXKWDPDYWYIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048402
CC(Oc1ccc(cc1)C)CNC1CC(n2c1ncn2)C	EMOLS-id_279083356	286.372	WMWIQFIUYMQBRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048403
CC(Oc1cc(ccc1C)NC1CC(n2c1ncn2)C)C	EMOLS-id_318401466,MCULE-5782623921	286.372	PCZIFXZFBSAYJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048404
CC(Oc1cccc(n1)CNC1CCn2c1ncc2)(C)C	EMOLS-id_318357816,MCULE-7371612439	286.372	DGOMOCLZRLAUBG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048405
CC(Oc1ccc(cn1)CNC1CCn2c1ncc2)(C)C	MCULE-9889579860,EMOLS-id_318370361	286.372	SCPMWCQAJHDLEW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048406
CC(Oc1ccncc1NCc1cnc2n1CCC2)(C)C	MCULE-1938040476,EMOLS-id_318169344	286.372	UUWPDSNGVHNPFK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048407
CC(Oc1ncc(cc1NCc1cnc2n1CCC2)C)C	EMOLS-id_318184536	286.372	HXLBCKHFEROVEU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048408
CCOCc1ccc(cc1)CNC1CC(n2c1ncn2)C	EMOLS-id_279081755	286.372	YDQDYTACHOSCLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048409
CN(Cc1nnc2n1CCC2)C(=O)C=C(C1CC1)C1CC1	EMOLS-id_48219114,ZINC22_79466627,MCULE-6660334590,PC-id_75416331	286.372	IPRSIRSLWJTWAK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-048410
COc1ccc(cc1C)CNC(c1nnc2n1CCC2)C	EMOLS-id_36632221,PC-id_43433194	286.372	LWJDLQHIIBRVND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048411
COc1ccc(cc1[C@@H](NC1CC(n2c1ncn2)C)C)C	EMOLS-id_318440171,MCULE-3116198098	286.372	QSEKKKVLBVRTRE-LXVYMNJGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048412
COc1ccc(cc1[C@H](NC1CC(n2c1ncn2)C)C)C	EMOLS-id_318640079	286.372	QSEKKKVLBVRTRE-MBHSVXNSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048413
s1c2CCCc2cc1C(=O)c1c(OCC)ccc(c1)C	PC-id_63496582	286.389	CREIMNZPYGFDFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048459
COc1ccc(cc1CNC(c1nnc2n1CCC2)C)C	EMOLS-id_36637273,PC-id_43748177,MCULE-3207819945	286.372	UQHJZSMHKHYSLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048414
COc1ccc(C)cc1CN[C@@H](C)c1nnc2n1CCC2	PC-id_51886353,ZINC22_37149584	286.372	UQHJZSMHKHYSLB-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048415
COc1ccc(C)cc1CN[C@H](C)c1nnc2n1CCC2	PC-id_51886355,ZINC22_37149586	286.372	UQHJZSMHKHYSLB-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048416
COc1ccc(CN[C@@H](C)c2nnc3n2CCC3)cc1C	PC-id_51683307,ZINC22_35255276	286.372	LWJDLQHIIBRVND-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048417
COc1ccc(CN[C@H](C)c2nnc3n2CCC3)cc1C	PC-id_51683309,ZINC22_35255277	286.372	LWJDLQHIIBRVND-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048418
COc1nc(C)cc(c1CNC1CC(n2c1ncc2)C)C	MCULE-7807870432,EMOLS-id_318652329	286.372	KYTLTDHWNWBWIX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048419
COCC(c1ccccc1)NC(c1nnc2n1CCC2)C	PC-id_103463961	286.372	ODNBFHFPJQQSNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048420
o1c(C2C(C2)C)ccc1CNC(c1n2CCCc2nn1)C	PC-id_43748090	286.372	TVVJUKLQVUHYMM-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-048421
O(c1ccc(CNC(c2n3CCCc3nn2)C)cc1)CC	PC-id_43433222	286.372	IIUNBDXYQDFBCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048422
Oc1c(cc(CNC(c2n3CCCc3nn2)C)cc1C)C	PC-id_43748199	286.372	LACOJXPIIMIVCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048423
O(c1ccc(C(NC(c2n3CCCc3nn2)C)C)cc1)C	PC-id_43748155	286.372	XJWSTKMBZIUYLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048424
Oc1ccc(C(NC(c2n3CCCc3nn2)C)CC)cc1	PC-id_43748098	286.372	RFVHDEFFCYFLJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048425
O(c1cc(CNC(c2n3CCCc3nn2)C)ccc1)CC	PC-id_60872578	286.372	OCHOQCBPGPQPMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048426
O(c1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1)C	PC-id_43748162	286.372	BECOIKLCDREFJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048427
O(c1c(CNC(c2n3CCCc3nn2)C)cccc1)CC	PC-id_43748061	286.372	URHSYZLDSMMJIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048428
Oc1c(C(NC(c2n3CCCc3nn2)C)C)ccc(c1)C	PC-id_43748025	286.372	WKPUAMXZWVRUGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048429
O(c1c(C(NC(c2n3CCCc3nn2)C)C)cccc1)C	PC-id_43748108	286.372	MSTJSBYPWDTCEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048430
Oc1c(C(NC(c2n3CCCc3nn2)C)C)cc(cc1)C	PC-id_43748195	286.372	XHQBYTVNNFJTMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048431
Oc1c(C(NC(c2n3CCCc3nn2)C)CC)cccc1	PC-id_43748102	286.372	OBAPZVRAQZZNQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048432
O(Cc1ccc(CNC(c2n3CCCc3nn2)C)cc1)C	PC-id_65623886	286.372	FWMVFMWGADVMAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048433
O(Cc1cc(CNC(c2n3CCCc3nn2)C)ccc1)C	PC-id_65590797	286.372	TZDHMKXZRKOWKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048434
O=C(c1ccn(c1C)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319866178	286.372	OCRNUNKOEJWEFI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-048435
O=C(c1ccn(c1C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318773573	286.372	JNOHIFWIRVBZIH-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-048436
O(Cc1c(CNC(c2n3CCCc3nn2)C)cccc1)C	PC-id_65591327	286.372	URQJMHCQTHJZHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048437
OCCC(c1ccccc1)CNC1CC(n2c1ncn2)C	EMOLS-id_279083274	286.372	MNUWDBJWHXZXMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048438
OC(CCc1ccccc1)CNC1CC(n2c1ncn2)C	EMOLS-id_316582383	286.372	MWPXWNKOUVMKCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048439
OCCCC(c1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_279083283	286.372	NXDXWZLZGNAKKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048440
OCC(NC1CC(n2c1ncn2)C)Cc1cccc(c1)C	MCULE-6923018148,EMOLS-id_320042536	286.372	FTNUCRMNQJRHSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048441
CC1CC(c2n1ncn2)Nc1cnn(c1C)C1CCCC1	EMOLS-id_318432147,MCULE-6519302743	286.375	MASRGDOVOJGOFU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048442
CC(c1nnc2n1CCC2)Nc1ccnc(n1)C(C)(C)C	MCULE-1761008625,EMOLS-id_318223415	286.375	YIYRMQZVZCXJGT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048443
CCn1c(nnc1C1CC(C1)N)Cn1cnc2c1CCC2	PC-id_91759800	286.375	NRDFKGJIIRHJBY-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048444
CCn1c(nnc1[C@@H]1C[C@@H](C1)N)Cn1cnc2c1CCC2	EMOLS-id_55602232,MCULE-7388730465	286.375	NRDFKGJIIRHJBY-PHIMTYICSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048445
CCCOc1ccc(cc1)C(=O)c1sc2c(c1)CCC2	PC-id_114971100	286.389	FZYFNFQYVDKVKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048446
CCCOc1ccccc1C(=O)c1sc2c(c1)CCC2	PC-id_115800807	286.389	VBMHMUKZIUCAKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048447
CC(Oc1ccccc1C(=O)c1sc2c(c1)CCC2)C	PC-id_115788652	286.389	WQHMZLYJBAKISA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048448
CC(Oc1cccc(c1)C(=O)c1sc2c(c1)CCC2)C	PC-id_115789067	286.389	PXKNDMHWXCTTDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048449
COc1c(ccc(c1C)C)C(=O)c1sc2c(c1)CCC2	PC-id_103435069	286.389	QQWSJTQDGOBZJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048450
COc1ccc(cc1)CCC(=O)c1sc2c(c1)CCC2	PC-id_114974363	286.389	LFUNTNQWDWBUGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048451
COc1ccc(cc1CC(=O)c1sc2c(c1)CCC2)C	PC-id_114965783	286.389	KKWYLBGGLQNVJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048452
COc1cc(C)c(cc1C)C(=O)c1sc2c(c1)CCC2	PC-id_115797880	286.389	NUWRRFWLFGACPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048453
COc1cc(C)cc(c1C(=O)c1sc2c(c1)CCC2)C	PC-id_106681919	286.389	AOHXZWLIZMRVKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048454
OC(c1sc2c(c1)CCC2)c1ccc(cc1)OC1CC1	PC-id_115838342	286.389	JHFABAQDANFPCJ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-048455
OC(c1sc2c(c1)CCC2)c1cccc(c1)OC1CC1	PC-id_115838437	286.389	ZBKITNYIDUBXFR-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-048456
s1c2CCCc2cc1C(=O)c1cc(c(OC)c(c1)C)C	PC-id_83056978	286.389	FSAGTJZTPOVSGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048457
s1c2CCCc2cc1C(=O)c1ccc(OC(C)C)cc1	PC-id_43463278	286.389	MLLMDOJWDADTQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048458
c1(c2CCCc2sc1N)C(=O)Nc1ccc(cc1C)C	TIMTEC36382,PC-id_724251,CoCoCo_1731211,MCULE-6543357900,EMOLS-id_6255895,CK1464092,ZINC22_130354,ChEMBL-DNDi_CHEMBL6066944	286.392	BXZIRESGYSDWFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048460
c1(C(=O)NCc2ccc(cc2)C)c2CCCc2sc1N	MCULE-8093854168,TIMTEC570601,CoCoCo_6812584,PC-id_17379183,EMOLS-id_3785164,ZINC22_2558500	286.392	YIDYBLOXRURHCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048461
c1(C(=O)NCCc2ccccc2)c2CCCc2sc1N	EMOLS-id_1478507,PC-id_830161,CK1875263,BAS-06260568,BindingDB-id_210342,MCULE-1493657723,SPECS-id_AF-399/41900017,BindingDB_PC-id_830161,ZINC22_352582,SCHEMBL12297943,CoCoCo_346905,ChEMBL-DNDi_CHEMBL1350323,CHEMBL1350323	286.392	PAPFJDBPMCTZRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048462
c1(NC(=O)Cc2ccc(c(C)c2)C)sc2c(CCC2)n1	EMOLS-id_334661328,MCULE-2139499318	286.392	WCKOOGKVJSNQGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048463
c1(NC(=O)Cc2cc(C)ccc2C)sc2c(CCC2)n1	MCULE-1500480100,EMOLS-id_334663120	286.392	UVDOUEAPUOVSPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048464
c1(NC(=O)CCc2ccc(cc2)C)sc2c(CCC2)n1	EMOLS-id_181474669,PC-id_33040898,MCULE-1252524642	286.392	KUDNSEYYEIKJNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048465
c1(NC(=O)CCCc2ccccc2)sc2c(CCC2)n1	EMOLS-id_323427106,MCULE-4487813470,PC-id_4406352	286.392	UPXLXGSHQHPSKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048466
c1(NC(=O)CC(C)c2ccccc2)sc2c(CCC2)n1	EMOLS-id_323458098,PC-id_5153099,MCULE-8950006113	286.392	VTCPLNLEIXGITE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048467
c1(sc2c(CCC2)n1)NC(=O)C(CC)c1ccccc1	PC-id_4121033,EMOLS-id_323466531,MCULE-3323780521	286.392	WYKBLYBDSBQAGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048468
CC1CCc2c1nc(s2)CC(=O)NCc1ccccc1	PC-id_89729324,SCHEMBL15160581	286.392	SFNDUZWWKVTHPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048469
C(=C
/CCCCC1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2456012543,EMOLS-id_328059695	286.392	DENRXHOOXONGGV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-048470
Cc1ccc(CCNC(=O)c2cc3c(s2)CCC3)cn1	MCULE-8392818309,EMOLS-id_320347560,ZINC22_521991646	286.392	YAWHJMDLHRNAFI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048471
Cc1ccncc1CCNC(=O)c1cc2c(s1)CCC2	ZINC22_855392625,EMOLS-id_320354468,MCULE-3282182424	286.392	WIQICAOVQJXVDW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048472
Cc1cc(N)cc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_104292061	286.392	GNGSKWNHFFGDTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048473
Cc1ncccc1CCNC(=O)c1cc2c(s1)CCC2	ZINC22_890837267,EMOLS-id_320363683,MCULE-1502169674	286.392	SBFLLVDJGZFKRE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048474
CC(C)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_15636397,EMOLS-id_24025987,CoCoCo_4164028,PC-id_26723062,MCULE-6101615453	286.392	GYVVTFWYESQYNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048475
C[C@@H](N(C(=O)c1sc2c(c1)CCC2)C)c1cccnc1	EMOLS-id_319189098	286.392	RXIRVGLXDAJEGW-LLVKDONJSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048476
C[C@H](N(C(=O)c1sc2c(c1)CCC2)C)c1cccnc1	EMOLS-id_319712090	286.392	RXIRVGLXDAJEGW-NSHDSACASA-N	00000010100000101000000010000000000000000000000000000000	25-01-048477
CC(N(C(=O)c1sc2c(c1)CCC2)C)c1ccccn1	PC-id_86857451	286.392	HIOOIXOVXGOTQP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048478
CNCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	MCULE-8174919036,PC-id_43601925,EMOLS-id_302658446	286.392	APSYINOQQMGVCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048479
CNCc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_121648756	286.392	PGZLNYUXKHYVQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048480
CN(C(=O)c1cccc(c1)NC1CCc2c1scc2)C	MCULE-6691665597,EMOLS-id_318604969	286.392	MAFWMNLJXDOABQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048481
N[C@@H](c1ccccc1)C(=O)NCc1sc2c(c1)CCC2	PC-id_104897615	286.392	XDGSUSSADGKBQV-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048482
O=C(c1sc2c(c1)CCC2)Nc1cc(C)c(cc1C)N	PC-id_103144637	286.392	TUNHGVZIJXWJCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048483
O=C(c1sc2c(c1)CCC2)Nc1cc(N)c(cc1C)C	PC-id_104757004	286.392	PYFNVQZPLAWQGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048484
O=C(c1sc2c(c1)CCC2)NCc1cccc(c1C)N	PC-id_103110385	286.392	DHGTXLQPLLFNCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048485
O=C(c1sc2c(c1)CCC2)NCCCc1cccnc1	EMOLS-id_319959551,MCULE-2777698851	286.392	NHWFTPAGYLUDQB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048486
s1c2CCCc2cc1CNCc1ccc(cc1)C(=O)N	PC-id_61207041	286.392	UGDBCJQDBVQOIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048487
s1c2CCCc2cc1CNCc1cc(ccc1)C(=O)N	PC-id_61207982	286.392	UMUGRWDVHFTIQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048488
s1c2c(CCC2)cc1CNCc1c(cccc1)C(=O)N	PC-id_61208947	286.392	ATFTVELCPLMNTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048489
s1c2CCCc2cc1CNCC(=O)Nc1ccccc1	PC-id_61207986	286.392	LJMVZXSQNLTAHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048490
s1c2CCCc2cc1CNC(=O)c1ccc(cc1)CN	PC-id_61208774	286.392	BCARPDHKPVTKKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048491
s1c2CCCc2cc1CNC(=O)c1c(cccc1N)C	PC-id_61208538	286.392	UNZWXPCYDSMJFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048492
s1c2CCCc2cc1CNC(=O)c1c(ccc(N)c1)C	PC-id_61292513	286.392	YGDLYVAFGMXUHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048493
s1c2CCCc2cc1CNC(=O)c1cc(c(N)cc1)C	PC-id_61208142	286.392	SWPXWFPGQNIOGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048494
s1c2CCCc2cc1CNC(=O)c1c(cc(N)cc1)C	PC-id_61826948	286.392	SXEARQASUZQRNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048495
s1c2CCCc2cc1CNC(=O)c1c(c(N)ccc1)C	PC-id_61208337	286.392	JBEOKCUTDWQNOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048496
s1c2CCCc2cc1CNC(=O)c1cc(N)c(cc1)C	PC-id_61208537	286.392	ZHXPVEXMZLPDCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048497
s1c2CCCc2cc1CNC(=O)c1c(N)c(ccc1)C	PC-id_61208536	286.392	LFDOSVLABGOMLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048498
s1c2CCCc2cc1CNC(=O)c1c(N)ccc(c1)C	PC-id_64339867	286.392	ADTDOPQPEYHQBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048499
s1c2CCCc2cc1CNC(=O)c1c(NC)cccc1	PC-id_61376509	286.392	QKRDUVAPPRADPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048500
s1c2CCCc2cc1CNC(=O)Cc1ccc(N)cc1	PC-id_61208339	286.392	DIOIIQKJMUQKAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048501
s1c2CCCc2cc1CNC(=O)Cc1cc(N)ccc1	PC-id_62499521	286.392	KBPFPPKEUZWCSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048502
s1c2CCCc2cc1CNC(=O)Cc1c(N)cccc1	PC-id_61208338	286.392	LCRIWPFDFAYYFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048503
s1c2CCCc2cc1CNC(=O)[C@H](N)c1ccccc1	PC-id_61208587	286.392	XDGSUSSADGKBQV-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048504
s1c2CCCc2cc1CNC(=O)CNc1ccccc1	PC-id_61208600	286.392	KBDJOSVIZAIVEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048505
s1c2CCCc2cc1CNC(=O)C(N)c1ccccc1	PC-id_61208777	286.392	XDGSUSSADGKBQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048506
s1c2CCCc2cc1C(=O)Nc1c(c(ccc1N)C)C	PC-id_43548049	286.392	DDJIVXIQKHNCBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048507
s1c2CCCc2cc1C(=O)Nc1c(cc(N)cc1C)C	PC-id_80005543	286.392	TUZJUWOQXWTJOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048508
s1c2CCCc2cc1C(=O)Nc1ccc(N(C)C)cc1	PC-id_78776566	286.392	YEOLQDOXQGXFEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048509
s1c2CCCc2cc1C(=O)Nc1c(c(N)ccc1C)C	PC-id_24694658	286.392	KCHDWTOZECJYLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048510
s1c2CCCc2cc1C(=O)Nc1cc(N)c(CC)cc1	PC-id_43550264	286.392	RBFNJTSBHIPIBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048511
s1c2CCCc2cc1C(=O)Nc1c(CNC)cccc1	PC-id_43601018	286.392	GLQLBIOESUODER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048512
s1c2CCCc2cc1C(=O)Nc1c(N)cc(c(c1)C)C	PC-id_62098592	286.392	KEKYOLBQQABJDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048513
s1c2CCCc2cc1C(=O)NCc1ccc(cc1)CN	PC-id_81090026	286.392	AGPYRGBZTXJKEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048514
s1c2CCCc2cc1C(=O)NC(c1ccc(N)cc1)C	PC-id_43297509	286.392	MTRRBKNJMQXZFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048515
s1c2CCCc2cc1C(=O)N(Cc1ccc(N)cc1)C	PC-id_43458092	286.392	BTRJGNLDADVJFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048516
s1c2CCCc2cc1C(=O)NC(c1cc(N)ccc1)C	PC-id_43297665	286.392	DVSAARPOZFEWIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048517
s1c2CCCc2cc1C(=O)N(Cc1cc(N)ccc1)C	PC-id_43457777	286.392	FSFBLQDIEXRGOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048518
s1c2CCCc2cc1C(=O)NCc1c(CN)cccc1	PC-id_62949515	286.392	HKZHJXCQPBOBSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048519
s1c2CCCc2cc1C(=O)NC(c1c(N)cccc1)C	PC-id_43297819	286.392	JJGUYCHYTKRHEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048520
s1c2CCCc2cc1C(=O)N(Cc1c(N)cccc1)C	PC-id_43458398	286.392	CBZVKFWPUDBUTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048521
s1c2CCCc2cc1C(=O)NCCc1ccc(N)cc1	PC-id_61218871	286.392	ZFMOJTYNFDFLRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048522
s1c2CCCc2cc1C(=O)N(CC)c1ccc(N)cc1	PC-id_63230209	286.392	KKQNLPBXCWZQRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048523
s1c2CCCc2cc1C(=O)N(CC)c1cc(N)ccc1	PC-id_63229661	286.392	OOUWYTNNJBWNNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048524
s1c2CCCc2cc1C(=O)N(CC)c1c(N)cccc1	PC-id_62100491	286.392	YWICNXAFICSRRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048525
s1c2CCCc2cc1C(=O)NCC(N)c1ccccc1	PC-id_63120457	286.392	HLYIUSNCAGFZKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048526
s1c2CCCc2nc1NC(=O)C[C@@H](c1ccccc1)C	PC-id_7984848	286.392	VTCPLNLEIXGITE-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-048527
s1c2CCCc2nc1NC(=O)C[C@H](c1ccccc1)C	PC-id_7984854	286.392	VTCPLNLEIXGITE-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048528
s1c(c2N(CCc2c1NC)CC)C(=O)c1ccccc1	PC-id_44512773	286.392	SOMHSOVMAMQWBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048529
CC1CC(c2n1ncn2)NCCS(=O)(=O)C(C)(C)C	MCULE-5520346016,EMOLS-id_320055067	286.394	HQPXFVSFWPZCRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048530
CC(c1nnc2n1CCC2)NS(=O)(=O)CC(C)(C)C	EMOLS-id_111901320	286.394	ZIIZYPQPLIMBRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048531
CCC(CNS(=O)(=O)c1cnc2n1CCC2)(CC)N	EMOLS-id_302899628,PC-id_120875436,MCULE-1157641953	286.394	BPHVHZRSHHDZFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048532
CCC(NS(=O)(=O)c1cnc2n1CCC2)(CN)CC	PC-id_121701830	286.394	OFLHEJUZPQICBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048533
CCS(=O)(=O)CC(NC(c1nnc2n1CCC2)C)C	PC-id_104663714	286.394	DLRRDPLSGKWERC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048534
NCC(CN(S(=O)(=O)c1cnc2n1CCC2)C)(C)C	PC-id_120875521,EMOLS-id_302855326,MCULE-5907061760	286.394	IYHQWCJMHYXHRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048535
O=S(=O)(Nc1nc2CCCc2s1)c1cccs1	EMOLS-id_181478612,PC-id_84569974,MCULE-5245651512	286.394	GQRRACPHYYCORP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-048536
Cc1cc(NCc2sc3c(n2)CCC3)nc(n1)C1CC1	MCULE-1432482866,EMOLS-id_318635250	286.395	PZXLBWSIYFLVRE-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-048537
[NH+](Cc1n[nH]c2c1CCC2)(Cc1c(nn(c1)CC=C)C)C	PC-id_52392998	286.395	UNZLOFHYBIKVOV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-048538
CCS(=O)(=O)CCCC(=O)c1sc2c(c1)CCC2	PC-id_113657601	286.41	QFJIOSSKEANQAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048539
C/C=C(/c1c(C)oc2c1CCC2)N=CC(=C)NCC(C)C	PC-id_144489159	286.412	BSSACYBRTHWKOH-ITQYZXNNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048540
S(SC1C[n+]2n(C1)c(nc2[2H])[2H])C1C[n+]2n(C1)c(nc2[2H])[2H]	PC-id_10784536	286.413	CNCQAQDKLMZWFN-KDWZCNHSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048541
CCSCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_116293220	286.414	VLJJSZFMSVXKBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048542
CSCCCCNc1nc2c(s1)CCC2C(=O)O	EMOLS-id_314989439,PC-id_113488394	286.414	OMXZSSQEXGABON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048543
CSCC(CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_113395784	286.414	ULKWWSLDNLXVAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048544
CSCCCN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_114238618	286.414	RLFHIPFPQLAMGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048545
CSCCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_116134598	286.414	COXVUESHPKIRRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048546
CSC(CCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_116255369	286.414	FUAUAVSNUGTHHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048547
CSC(CNc1nc2c(s1)CCC2C(=O)O)(C)C	EMOLS-id_314768374,PC-id_113479498	286.414	NXWZVAZJZXWGRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048548
CSCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_104288741,EMOLS-id_315070421	286.414	SOJMFBZJLMBVHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048549
CSCC(N(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104289249	286.414	CAIBNAGPFOCZNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048550
CSCC(Nc1nc2c(s1)CCC2C(=O)O)CC	PC-id_113495328	286.414	POWCVJCRWAILCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048551
NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL8284159,PC-id_58800044	286.414	UCZVQTKCYCPYHR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048552
c1(NC(=O)[C@H](CCSC)N)n(C)nc2CSCc12	ZINC22_1506413620,EMOLS-id_316262711,MCULE-6264790527	286.417	JUOBBEUNPRKDAE-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048553
S1c2n(CC1)c(c(n2)C)CSCCNC(=O)NC	PC-id_50878407	286.417	ULWSWDWZLNTPHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048554
CCCCCCCC(=O)c1c(c2c(s1)CSC2)F	PC-id_135085915	286.428	QHCVUGJZMOVAGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048555
CCCCC(CC)C(=O)c1c(c2c(s1)CSC2)F	PC-id_86692648,SCHEMBL15194549	286.428	QQNSIYTUMJTQJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048556
Cc1cc(C)c(c(c1)C)CC(c1sc2c(c1)CCC2)O	PC-id_115781892	286.432	FANPOPTWMIIUSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048557
CC(c1ccc(cc1)CC(c1sc2c(c1)CCC2)O)C	PC-id_115788226	286.432	SYUJQMDMAWQUKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048558
CCc1ccc(cc1CC)C(c1sc2c(c1)CCC2)O	PC-id_115482608	286.432	MMZDFLNJHVIATK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048559
CC(Cc1cccc(c1)C(c1sc2c(c1)CCC2)O)C	PC-id_115838151	286.432	MMTLJRBRZQMBFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048560
s1c2c(CCC2)cc1C(O)c1c(c(cc(c1C)C)C)C	PC-id_61089236	286.432	JDBATLLKTGMUFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048561
s1c2c(CCC2)cc1C(O)c1c(CC)ccc(c1)CC	PC-id_64169548	286.432	GCSDKKVQMMQWQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048562
s1c2c(CCC2)cc1C(O)c1ccc(C(C)(C)C)cc1	PC-id_61086819	286.432	KXTKLDXKJJBPJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048563
s1c2c(CCC2)cc1C(O)c1ccc(CCCC)cc1	PC-id_63425892	286.432	BVMGKWUALVNXBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048564
s1c2c(CCC2)cc1C(O)c1ccc(C(CC)C)cc1	PC-id_63426397	286.432	JKIOHMDZCJTJAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048565
s1c2c(CCC2)cc1C(O)c1ccc(CC(C)C)cc1	PC-id_63428280	286.432	JYBFNRUIZOHREZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048566
c1(CC(N)c2ccc(cc2)C(C)C)sc2c(CCC2)n1	PC-id_82066874,MCULE-9377713283	286.435	YTONZVOLIZWFNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048567
CCc1ccc(cc1)CC(c1sc2c(c1)CCC2)NN	PC-id_113699723	286.435	SZVGHZJKPAJQFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048568
CCc1ccc(nc1)CC(c1sc2c(c1)CCC2)NC	PC-id_105014417	286.435	DWAGLTLZUKUJFA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048569
CC(c1ccc(nc1)NCc1sc2c(c1)CCC2)(C)C	PC-id_107874546	286.435	BPEMVVAAQPRDBX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048570
CCCc1ccc(cc1)C(c1sc2c(c1)CCC2)NN	PC-id_105303804	286.435	RDSYXPZXHBVQJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048571
CCCc1cccc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105340516	286.435	JLIZYGSQRNTVJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048572
CCCNC(c1cnccc1C)c1sc2c(c1)CCC2	PC-id_105006371	286.435	JRWFLVGMEQAHEH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048573
CCCNC(c1sc2c(c1)CCC2)c1ccc(nc1)C	PC-id_115854665	286.435	OZVBGKRCTPKOFY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048574
CCCNC(c1sc2c(c1)CCC2)c1cncc(c1)C	PC-id_105022917	286.435	IBPGKJHIRFREMM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048575
CCCNC(c1sc2c(c1)CCC2)Cc1cccnc1	PC-id_105034509	286.435	RCLQYRSUCLCRAD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048576
CNC(c1cc(C)c(cc1C)C)c1sc2c(n1)CCC2	PC-id_108408186	286.435	JRARPOFIMGGUSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048577
NNC(c1cc(C)c(cc1C)C)c1sc2c(c1)CCC2	PC-id_105312886	286.435	QNRMUPNUPAQYIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048578
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)C(C)C	PC-id_105304245	286.435	DUIMCEOAYCQDOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048579
NNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)C)C	PC-id_105289996	286.435	HTFFQXOUEGIESH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048580
NNC(c1sc2c(c1)CCC2)Cc1cc(C)cc(c1)C	PC-id_105287203	286.435	SRRRDFJJCDAHJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048581
NNC(c1sc2c(c1)CCC2)Cc1cc(C)ccc1C	PC-id_105287712	286.435	DJWPPBWDQKTILK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048582
NNC(c1sc2c(c1)CCC2)Cc1c(C)cccc1C	PC-id_105329140	286.435	HPEUJVCLOKQIRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048583
NNC(c1sc2c(c1)CCC2)CCCc1ccccc1	PC-id_105299793	286.435	RHOHIJHEPDGJHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048584
s1c2CCCc2cc1CNCc1ccc(N(C)C)cc1	PC-id_61207757	286.435	WBPXJIOSLFTQAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048585
s1c2c(CCC2)cc1C(NCC)Cc1ncccc1C	PC-id_66447079	286.435	JXAKJQPQFMFCKB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048586
s1c2c(CCC2)cc1C(NCC)Cc1ncc(cc1)C	PC-id_66448094	286.435	NHZXSRKEILIMLW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048587
s1c2c(CCC2)cc1C(NCCC)Cc1ccncc1	PC-id_65580651	286.435	HRBMXUZATGKXGS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048588
s1c2c(CCC2)cc1C(NCCC)Cc1ncccc1	PC-id_65583153	286.435	UPFDYIZOIRFILH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048589
s1c2c(CCC2)cc1C(NCC)C(C)c1ncccc1	PC-id_66448193	286.435	VZGRNRGKVKLIMH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048590
s1c2CCCc2nc1C(N)c1ccc(C(C)(C)C)cc1	PC-id_61332078	286.435	FVWQOBFURGUPLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048591
s1c2CCCc2nc1C(N)c1ccc(CC(C)C)cc1	PC-id_80252404	286.435	KAMAREABZTVBOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048592
s1c2CCCc2nc1C(NC)c1c(cc(cc1C)C)C	PC-id_61330772	286.435	JEHCRLYGHOOURX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048593
s1c2CCCc2nc1C(NC)c1ccc(C(C)C)cc1	PC-id_61331363	286.435	ZIBXLCCVNDLFFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048594
s1c2CCCc2nc1C(NCC)c1ccc(cc1)CC	PC-id_61332016	286.435	JDZHUBOHBDCUPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048595
s1c2CCCc2nc1C(NCC)c1c(cc(cc1)C)C	PC-id_61332195	286.435	KBNVQUPADBTWNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048596
s1c2CCCc2nc1C(NCC)c1cc(c(cc1)C)C	PC-id_61332566	286.435	PSAVSZYRVAWRFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048597
s1c2CCCc2nc1C(NCC)c1c(ccc(c1)C)C	PC-id_61552652	286.435	FAURNNOVZBDBMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048598
s1c2CCCc2nc1C(NCC)c1c(c(ccc1)C)C	PC-id_61634611	286.435	ZMALLFKIWAUXEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048599
s1c2CCCc2nc1C(NCC)c1cc(cc(c1)C)C	PC-id_61651299	286.435	ZEDVDYOLASPHLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048600
s1c2CCCc2nc1C(NCC)c1c(cccc1C)C	PC-id_81926878	286.435	QWXKLMPOTMCUQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048601
s1c2CCCc2nc1C(NCC)c1c(CC)cccc1	PC-id_62414697	286.435	YLRBQZUSBANIQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048602
s1c2CCCc2nc1C(NCC)C(c1ccccc1)C	PC-id_61330251	286.435	XDJBLJGYDMZULC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048603
s1c2CCCc2nc1C(NCCC)c1ccc(cc1)C	PC-id_61333227	286.435	UWHBWGMWWKZOLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048604
s1c2CCCc2nc1C(NC(C)C)c1cc(ccc1)C	PC-id_61333852	286.435	QPDSLFRXLFAAEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048605
s1c2CCCc2nc1C(NCCC)c1cc(ccc1)C	PC-id_61334398	286.435	CGJLNXSCHOCMSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048606
s1c2CCCc2nc1C(NC(C)C)c1c(cccc1)C	PC-id_61335040	286.435	JTACBYYEBNCUEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048607
s1c2CCCc2nc1C(NC(C)C)c1ccc(cc1)C	PC-id_61335234	286.435	BUIRSZLYPMXKED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048608
s1c2CCCc2nc1C(NCCC)c1c(cccc1)C	PC-id_61336158	286.435	GBGABNMRRFUSNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048609
s1c2CCCc2nc1C(NC)CC(c1ccccc1)C	PC-id_61699058	286.435	ZACLFUYTESGFTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048610
s1c2CCCc2nc1C(NC(C)C)Cc1ccccc1	PC-id_61334840	286.435	GYNVLOVIFFPPKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048611
s1c2CCCc2nc1C(NCCC)Cc1ccccc1	PC-id_61335388	286.435	QSUSOCLOFSAFDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048612
s1c2CCCc2nc1C(NCC)CCc1ccccc1	PC-id_62881457	286.435	AUEJEOQDVKGVFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048613
s1c(C(NCC)C(c2ccncc2)C)cc2c1CCC2	PC-id_66447166	286.435	LANJKTYDUFRCKG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048614
s1c(nc2c1CCC2)C(NC)(Cc1ccccc1)CC	PC-id_79008241	286.435	ZRFSBLTWNWFJDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048615
s1c(nc2c1CCC2)C(NC)(CCc1ccccc1)C	PC-id_61330968	286.435	GTDNRVYWDGTALG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048616
OCC(C(NC(c1sc2c(n1)CCC2)C)C)SC	PC-id_109908776	286.457	RCEWCNGDPUXJEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048617
OCCC(NC(c1sc2c(n1)CCC2)C)CSC	PC-id_109908781	286.457	ZUOHVEDGZNVPTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048618
OCCCSCCNC(c1sc2c(n1)CCC2)C	PC-id_109908754	286.457	BMGIODNGXLPWOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048619
s1c2CCCc2nc1C(NCCOC)CCSC	PC-id_62541921	286.457	DJDGPKVKOCKECT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048620
ClC(Cl)(Cl)C(=O)Nc1sc2c(n1)CNC2	PC-id_82194052	286.566	WYWXHVFZRWCEJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048621
N#Cc1cnn2c1NC(=O)/C/2=NNc1ccc(cc1)Cl	NSC724517	286.677	PMYCFXUTILCFAD-WOJGMQOQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048622
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)Cl	SCHEMBL1369118,PC-id_59474230	286.715	MGYGWNNPDYNCGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048623
Clc1sc(C(=O)Nc2onc3c2CSC3)cc1	PC-id_49720120	286.758	ALOVYGXFNKINHY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-048624
N#Cc1ccc(cc1Cl)CNC1CC(n2c1ncc2)C	MCULE-3777409563,EMOLS-id_318679878	286.759	KVCPWDKFLHYFOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048625
N#Cc1ccc(cc1Cl)CNCc1cnc2n1CCC2	MCULE-8831231878,EMOLS-id_318502674	286.759	OYITUUAUEHCBOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048626
Clc1nnc(s1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315491624,PC-id_80618658	286.761	ZRVPMGGMPIQFHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048627
c1(NC(=O)CCCCl)sc2c(CCC2)c1C(=O)N	EMOLS-id_207817704,PC-id_4502897,MCULE-4677658759	286.778	RIZZUEKXSONJSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048628
CCOC(=O)CC1CCc2c1c(c(s2)N)C(=N)Cl	PC-id_137172820	286.778	WVQQJCNFYTTZDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048629
ClCC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_55110710,EMOLS-id_315284482	286.778	YMYWREHHRXTVAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048630
O=C(N1CCOCC1)NC1CCc2c1cc(s2)Cl	EMOLS-id_102463807	286.778	ZIOKMTMGFKZGII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048631
Clc1c(C=Nc2sc3CCCc3c2C#N)cccc1	PC-id_305119	286.779	XSLKZOBOQKJJAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048632
Cl/C(=C(c1cccnc1)/C#N)/c1sc2CCCc2c1	PC-id_80523373	286.779	GWGUQLHWPOVRDP-QINSGFPZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048633
Cl/C(=C(c1ccncc1)/C#N)/c1sc2CCCc2c1	PC-id_80524928	286.779	ZWHJJOIZBAIXLC-QINSGFPZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048634
N#Cc1c(/N=C/c2ccccc2Cl)sc2c1CCC2	CoCoCo_5530032,NSC201869,ZINC22_17023310,PC-id_9554815	286.779	XSLKZOBOQKJJAW-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048635
N#Cc1c(/N=Cc2ccccc2Cl)sc2c1CCC2	ZINC22_104160312,CoCoCo_5530033	286.779	XSLKZOBOQKJJAW-NVMNQCDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048636
CC1CCc2c1c(Cl)nn2Cc1ccccc1C1CC1	EMOLS-id_330975991,MCULE-2800941989	286.799	DUIIKYSMRGNPMM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-048637
CC1CCc2c1c(Cl)nn2Cc1cccc(c1)C1CC1	MCULE-9703650202,EMOLS-id_330975224	286.799	RTVDAJUQYWGSRI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-048638
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(Cl)c12	EMOLS-id_330960308,MCULE-1715856550	286.799	WXSHIIHSAVPBCS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-048639
CC1CCc2nn(Cc3ccccc3C3CC3)c(Cl)c12	MCULE-1183504599,EMOLS-id_330956980	286.799	BZIYJARCKTUCPW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-048640
Clc1sc2c(c1)C(CC2)NCc1csc(=O)[nH]1	PC-id_114181282	286.801	BNZIXHMXWRJOCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048641
Clc1cnc(s1)NCCc1cn2c(n1)SCC2	EMOLS-id_318363556,MCULE-2448459008	286.804	WKTRROMBFPQELT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048642
CCCNC(=O)CCNC1CCc2c1cc(s2)Cl	PC-id_81251317,EMOLS-id_314668984	286.821	AJLNFDKYLJOXQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048643
CC(CNC(=O)CNC1CCc2c1cc(s2)Cl)C	PC-id_113353989,EMOLS-id_314969656	286.821	HAMNHDICHNCFHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048644
CC(C(=O)N(CC)C)NC1CCc2c1cc(s2)Cl	PC-id_103107318	286.821	PZGAXFQYZCCOPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048645
CC(C(=O)NC(C)C)NC1CCc2c1cc(s2)Cl	PC-id_104390106	286.821	KWQOHFQLWWWDPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048646
CC(C(=O)NCCNC1CCc2c1cc(s2)Cl)C	EMOLS-id_314964297,PC-id_81252473	286.821	HSFQVLXGFFFHPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048647
CC(NC(=O)CCNC1CCc2c1cc(s2)Cl)C	PC-id_112551224,EMOLS-id_314953215	286.821	JCJIYZYCANKLKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048648
CCN(C(=O)CNC1CCc2c1cc(s2)Cl)CC	EMOLS-id_315155390,PC-id_113405903	286.821	VDJUTDZZIKCXQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048649
Clc1sc2c(C(NCC3OCCN(C3)C)CC2)c1	PC-id_81252818	286.821	OSBQAAMUZZBENU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048650
Clc1sc2c(C(NC(C)C(=O)NCCC)CC2)c1	PC-id_81252279	286.821	MANSIXCGZMNALA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048651
Clc1sc2c(C(NCCN3CCOCC3)CC2)c1	PC-id_81252042	286.821	YFABSJZHAGPWRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048652
CNC(=O)C(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_103917217	286.821	LYGITGUMCHYXBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048653
O=C(NC(C)(C)C)CNC1CCc2c1cc(s2)Cl	EMOLS-id_315651538,PC-id_113293154	286.821	HAHUFSGHJCDXQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048654
CCCN(CCNC1CCc2c1cc(s2)Cl)CC	PC-id_114132477	286.864	JYNFYZYJNGKCPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048655
CC(N(CCCNC1CCc2c1cc(s2)Cl)C)C	PC-id_114139768	286.864	UYJDHDIFJQKJJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048656
CCN(CCCNC1CCc2c1cc(s2)Cl)CC	PC-id_81252772,EMOLS-id_314673589	286.864	WZQMJRATEIZVCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048657
Clc1sc2c(C(NC(C(C)C)CN(C)C)CC2)c1	PC-id_81251521	286.864	DQLXGJGSYROGBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048658
Clc1sc2c(C(NCC(CN(C)C)(C)C)CC2)c1	EMOLS-id_315607678,PC-id_81251491	286.864	QYSZRJHOXAGDDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048659
Clc1sc2c(C(NCC(N(C)C)C(C)C)CC2)c1	PC-id_81251832	286.864	ZUEIPDSOHMWXIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048660
Clc1sc2c(C(NC(CN(CC)CC)C)CC2)c1	PC-id_81251968	286.864	DVFUJOHGPPOCFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048661
CN(C(CC)C)CCNC1CCc2c1cc(s2)Cl	PC-id_105951563	286.864	WWPMBBJXOIWSCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048662
[Sn](c1scc2c1CCC2)(C)(C)C	PC-id_59861115	287	DNHMXHBSHPFBDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048663
C1CC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)C(=O)O)N	PC-id_153798113	287.062	RTMAAIDZHAZVQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048664
C1C2=CN(N=C2CN1)S(=O)C3=CN(N=C3)CC(F)F	PC-id_164872014	287.065	OBPYIXYAUCVJBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048665
COC1=CC=CC(=N1)CNC2=C(N3CCSC3=N2)C#N	EMOLS-id_317758401,PC-id_154786438,MCULE-7079982446	287.084	AQDXOKDMURMLRS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048666
C1CN(CC1(F)F)CCC2CN3C(=CC(=N3)C(=O)O)O2	PC-id_150133775	287.108	FBULZFZIMJZOIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048667
CC(=O)CC1CCN2C1=CC=C2CC3=CC=C(C=C3)Cl	PC-id_154206154	287.108	KXZLKSLVMNPGGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048668
CC(C)C1(CCN2C1=CC=C2C(=O)C3=COC=C3)C(=O)O	PC-id_153879376	287.116	VIWCETLMHKZUJJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048669
CC(C1=NN=C2N1CCC2)NC(=O)CN3C=CC=CC3=O	MCULE-9200652377,EMOLS-id_257873206,PC-id_154773753	287.138	QJUBVYSDRRRAJI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048670
Brc1[nH]c2CN(Cc2c1)C(=O)OC(C)(C)C	PC-id_84814005	287.153	MWRUFRFNRMOXKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048671
CC(C)(C)OC(=O)c1nc2CCCn2c1Br	EMOLS-id_60181176,PC-id_46942083,ZINC22_66347516,MCULE-6672378067	287.153	JTANJNPFRIWFIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048672
CCOC(=O)c1nn2c(c1Br)CC(C2)(C)C	SCHEMBL21315324,PC-id_139451478	287.153	LJQNNTSKPQOJTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048673
CCOC(=O)Cn1nc2CCC(C)c2c1Br	MCULE-3244931343,EMOLS-id_331018410	287.153	IKUGLOMSBOXRAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048674
CCOC(=O)Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330969592,MCULE-6882264006	287.153	TVAVQCOKZFDTSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048675
COC(=O)Cn1nc2CCC(C)c2c1CBr	MCULE-9333567425,EMOLS-id_331014332	287.153	DCRLLEFTKRAWNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048676
COC(=O)Cn1nc(CBr)c2C(C)CCc12	MCULE-1586814346,EMOLS-id_331034124	287.153	XNEBFVPGAQRADA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048677
BrCCC(=O)NC(c1nnc2n1CCC2)C	PC-id_104190485,EMOLS-id_315872315	287.156	DRXLGQWVTAXVSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048678
BrCCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_104191052,EMOLS-id_315871551	287.156	KKNJIAXZQLWLDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048679
O=C(C(Br)C)NC(c1nnc2n1CCC2)C	PC-id_107903557	287.156	GVRDUPKEOKIDDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048680
O=C(N(Cc1nnc2n1CCC2)C)C(Br)C	PC-id_107904523	287.156	YBLRGDUNUDWYMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048681
C1CC2=C(C1)N(N=C2C(=C3CC3)N4CCOCC4)CC=O	PC-id_153536659	287.163	GWWMMIUQSVZAAK-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-048682
CC(C1=NN2CCCC2=C1)N[C@H]3C[C@H]([C@@H]3N4C=CC=N4)O	PC-id_154797952	287.175	IYKBXYVBZTYVGV-MOBHLTHFSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048683
CC(C)[C@@H](C1=CN(N=C1)C)NC(=O)C2=C3CCCN3N=C2	ZINC22_885420009,PC-id_164632119	287.175	RFTOBSYZALIJKC-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048684
CCCCN1C(=N)c2c(C1=O)sc(c2)Br	PC-id_144627470	287.176	ITZYLHNQNIPDJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048685
OC(=O)c1cc2c([se]1)C(N(C2(C)C)[O])(C)C	PC-id_101507339	287.194	PWLZXVOILFFTSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048686
CCC(O)Cn1nc2CCC(C)c2c1CBr	EMOLS-id_331015868,MCULE-4587584273	287.196	LIGBFRSWHRVCFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048687
CCC(O)Cn1nc(CBr)c2C(C)CCc12	MCULE-3166246957,EMOLS-id_331031565	287.196	OFILNTLFNRWMPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048688
O=C(c1nn2c(c1)OCC2)Nc1c[nH]nc1C(F)(F)F	EMOLS-id_319129339	287.198	NXTJVDWDIPJZNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048689
BrC(=C)CNC(c1sc2c(n1)CCC2)C	PC-id_115997447	287.219	VJNVNMYTSAXQJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048690
O=C(N1Cc2c(C1)cn[nH]2)c1scc(c1)C(F)(F)F	MCULE-3528221233,EMOLS-id_320121314	287.261	BGBKEKLMSLSYGY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-048691
O=C(N1CCn2c1ncc2)c1scc(c1)C(F)(F)F	EMOLS-id_319333183	287.261	DLWDLNJPLJQGFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-048692
O=Cc1nc2c(n1C(F)F)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380718,PC-id_118614444	287.263	OPCILADJZBEXQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048693
OC(=O)c1coc2CN(Cc12)C(=O)OCc1ccccc1	EMOLS-id_336512977,MCULE-4249699802	287.267	HRSSCCQQQYXEPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048694
OC(=O)C1CCc2[nH]c(nc12)Cc1ccc([N+](=O)[O-])cc1	PC-id_84010887	287.271	DRAFKKZUGLLIRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048695
OC(=O)c1cnn2CCN(C(=O)OCc3ccccc3)c12	MCULE-5238893946,EMOLS-id_337166792	287.271	GUOQZCHNWWXKFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048696
O=C(O)c1coc2c1CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2	ZINC22_1875291916	287.271	PVOWDHKUENEXKD-HTQZYQBOSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048697
OC(=O)C1N(Cc2n[nH]cc12)C(=O)OCc1ccccc1	MCULE-6193051594,EMOLS-id_277373216	287.271	WSIDEWCUHNGKTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048698
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)OC	PC-id_135629416,EMOLS-id_24576151,STOCK6S-67571,MCULE-3326775143	287.274	KJSKTSPFRYALAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048699
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1OC	PC-id_135635988,MCULE-5224728972,EMOLS-id_17108146,STOCK6S-52263	287.274	NOIYGRALPPEKDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048700
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(OC)c1	SPECS-id_AN-153/NB21570,EMOLS-id_24575941,MCULE-5200990948,STOCK6S-67401,PC-id_135649888	287.274	ZWXAWSKXXYZDJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048701
COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_135904030,ZINC22_13725188	287.274	NOIYGRALPPEKDA-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048702
COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_13725192,PC-id_135904031	287.274	NOIYGRALPPEKDA-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-048703
COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)c1	ZINC22_20719607,PC-id_135901862	287.274	ZWXAWSKXXYZDJL-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048704
COc1cccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)c1	ZINC22_20719611,PC-id_135901863	287.274	ZWXAWSKXXYZDJL-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-048705
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	PC-id_135901890,ZINC22_20720279	287.274	KJSKTSPFRYALAF-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048706
COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	PC-id_135901891,ZINC22_20720283	287.274	KJSKTSPFRYALAF-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-048707
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1O	PC-id_68442550,SCHEMBL2923770	287.274	NGZKFNDOSHYXDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048708
O=C(NCc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cc1	CoCoCo_4491036,MCULE-3438288864,PC-id_25505350,ZINC22_12779958,EMOLS-id_16793991	287.274	DRXDRCPSYVOQFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048709
O=C(c1occ2c1CCC2)NC(C(F)(F)F)C1CCC1	EMOLS-id_319862537	287.278	MSQHKFIVYCHGFC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-048710
O=C(NCC1(C(F)(F)F)CCC1)c1occ2c1CCC2	ZINC22_356516263,MCULE-3585393306,EMOLS-id_177204204	287.278	NTKKVPOOYFFYEF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-048711
c12CCCc1n(nc2C(F)(F)F)CC(=O)N1CCCC1	MCULE-2279711224,BAS-01939662,EMOLS-id_1359717,PC-id_1129753,ZINC22_869826,CoCoCo_224987	287.281	WPJZAXVQZLJMEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048712
C=CC(=O)N(Cc1cc2n(n1)CCC2)[C@H](C)C(F)(F)F	ZINC22_1875387969	287.281	HTAIJQXBKHMXPS-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048713
O=C(c1cc2n(n1)CCC2)N1CCC(C(F)(F)F)CC1	MCULE-2508296569,EMOLS-id_316328050,ZINC22_294784437	287.281	BAVSJOACZKYIJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048714
O=C(C1(CCC1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319902714,MCULE-8638924817	287.281	VPPJTRQQTBVJPR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048715
O=C(c1cnc2n1CCC2)NC(C(F)(F)F)C1CCC1	EMOLS-id_319359897	287.281	WNDNATOGVZCBSD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-048716
Cc1cc2n(c1C(=O)c1ccc(F)cc1)CCC2C(=O)O	CHEMBL352995,PC-id_13780972,SCHEMBL11604367	287.286	PPOOQRCQQGZVGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048717
CCC1C(=O)Oc2c1n(C)c(c2)C(=O)c1ccc(cc1)F	SCHEMBL7684736,PC-id_9838851	287.286	RALUCWBCVZANNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048718
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)F	PC-id_12915913,SCHEMBL11007789	287.286	TYIJKABQOUCTPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048719
COC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccc(cc1)F	PC-id_101944759	287.286	TYIJKABQOUCTPJ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048720
COC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccc(cc1)F	PC-id_101944760	287.286	TYIJKABQOUCTPJ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048721
Fc1ccc(C(=O)c2n(c3C(C(=O)Oc3c2C)C)C)cc1	PC-id_54443566,SCHEMBL7675544	287.286	WPWASKONJJYTNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048722
Fc1c(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cccc1	SCHEMBL11601907,PC-id_20351597	287.286	XRBDIRGFUGBWPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048723
COCCOn1c(=O)[nH]c2c1C(CF)C([C@H]2C(=O)N)C	SCHEMBL13883037,PC-id_71018963	287.287	NCRZEWAMTKYPNO-KAVNDROISA-N	00000010100000000001000010000000000000000000000000000000	25-01-048724
FCC1C(C(c2[nH]c(=O)n(OCCOC)c12)C(=O)N)C	PC-id_77982811	287.287	NCRZEWAMTKYPNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048725
FC(c1nnc(o1)NCCc1cn2c(n1)SCC2)F	EMOLS-id_100797421	287.289	VLHQQVSFLCUYSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048726
S1(=O)(=O)Cn2c(C1)c(c(c2C)C(=O)OC)C(=O)OC	PC-id_11277647	287.289	HBGWVICLQKKNQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048727
S1(=O)(=O)C(n2c(C1)c(c(c2)C(=O)OC)C(=O)OC)C	PC-id_11312226	287.289	CRGQTDYOCGKCRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048728
Brc1c2c(sc1)C([Si](C)(C)C)C(=C2)C	SCHEMBL818545,PC-id_58526160	287.291	UPQQKWUTYTWNNU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-048729
C1C(C(=O)c2c1scc2)C(=O)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL15311986,PC-id_89846276	287.291	FHQWVUYPDQJSHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048730
OC(=O)C(N1C(=O)c2c(C1=O)csc2)c1ccccc1	PC-id_68465850,SCHEMBL2982891	287.291	WSYGTNIYVZMXCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048731
C1COCC1S(=O)(=O)n1cc2CN(Cc2n1)C(=O)O	SCHEMBL20483907,PC-id_135314622	287.292	SHUBRDCCRWWOEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048732
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)C1COCC1	EMOLS-id_112034434	287.292	RGYLWMQBULPOOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048733
CC(=O)Oc1ccccc1/C=c/1sc2ncnn2c1=O	ZINC22_27642555	287.294	JAPCLBGLYCOTIK-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048734
CC(=O)Oc1ccc(/C=c/2sc3ncnn3c2=O)cc1	ZINC22_12579523,EMOLS-id_6680941,ChEMBL-DNDi_CHEMBL5629-0491	287.294	UYQQUCAHDOTULG-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048735
CC(=O)Oc1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_208307,EMOLS-id_45963578	287.294	UYQQUCAHDOTULG-IZZDOVSWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048736
CC(=O)Oc1cccc(/C=c/2sc3ncnn3c2=O)c1	EMOLS-id_9063260,ZINC22_16733015,ChEMBL-DNDi_CHEMBL5629-0581	287.294	CHERPLRJJWKRCH-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048737
COC(=O)c1ccc(C=c2sc3ncnn3c2=O)cc1	EMOLS-id_300096319,MCULE-5904075410,ZINC22_263629291	287.294	STACNHBMSMLHQT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048738
COC(=O)c1ccc(/C=c/2sc3ncnn3c2=O)cc1	ZINC22_16265320,ChEMBL-DNDi_CHEMBL5629-0983,EMOLS-id_9063870	287.294	STACNHBMSMLHQT-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-048739
COC(=O)c1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_208419	287.294	STACNHBMSMLHQT-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048740
n12ncnc1sc(=Cc1cccc(c1)OC(=O)C)c2=O	ChEMBL-DNDi_CHEMBL1744494,MCULE-1667416430	287.294	CHERPLRJJWKRCH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048741
n12ncnc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O	EMOLS-id_300111129,ChEMBL-DNDi_CHEMBL1390823,MCULE-8517713074	287.294	UYQQUCAHDOTULG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048742
n12ncnc1sc(=Cc1ccccc1OC(=O)C)c2=O	MCULE-3586848178	287.294	JAPCLBGLYCOTIK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048743
s1c2CCCc2c(c1N=Cc1oc([N+](=O)[O-])cc1)C#N	PC-id_3439878	287.294	GVKQVQHXDUIXLF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048744
s1c2CCCc2c(c1/N=C/c1oc([N+](=O)[O-])cc1)C#N	PC-id_9620845	287.294	GVKQVQHXDUIXLF-VIZOYTHASA-N	00000010101000000000000010000000000000000000000000000000	25-01-048745
s1c(C(N)c2c3CCCc3oc2C(F)(F)F)ccc1	PC-id_83610571	287.301	FARRHTDCXIKGBA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-048746
CC1CCc2c1c(nn2Cc1c(C)cc(F)cc1F)C#N	EMOLS-id_331019258,MCULE-4585854305	287.307	ULRAWWKJZZDAQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048747
CC1CCc2c1c(nn2Cc1ccc(F)c(F)c1C)C#N	MCULE-6153497410,EMOLS-id_331019002	287.307	RNROLVZPCVGXLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048748
CC1CCc2c1c(nn2Cc1cc(F)cc(F)c1C)C#N	MCULE-8558535949,EMOLS-id_331018746	287.307	KJAJSPMTERNKER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048749
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(C#N)c12	MCULE-8620736301,EMOLS-id_331004084	287.307	XBAKPJGWALLDBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048750
C1COc2cc(nn12)C(=O)NC(Cc1ccccc1)CO	PC-id_91959806	287.314	DWCSVVAKXSPRFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048773
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(C#N)c12	MCULE-5013982148,EMOLS-id_331003828	287.307	NUGNKNOCUNDDNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048751
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(C#N)c12	EMOLS-id_331003572,MCULE-5991153287	287.307	VJDONVSDDAMSFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048752
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005369,MCULE-4504847334	287.307	RQULPOWCAALOBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048753
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1C#N	MCULE-2087214140,EMOLS-id_331004599	287.307	BSXFQSIZYGZFFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048754
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004855,MCULE-6819527524	287.307	CFMRMJICDULTPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048755
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1C#N	MCULE-8957697710,EMOLS-id_331005113	287.307	KLWQJZLRCRFHGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048756
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004857,MCULE-9116859214	287.307	QSZQVVULRVHTHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048757
CCCc1cc2n(c1C(=O)c1ccco1)CCC2C(=O)O	SCHEMBL11660571,PC-id_20356170	287.31	YTWZUMQFRFGJCT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048758
CCCc1cc2n(c1C(=O)c1cocc1)CCC2C(=O)O	PC-id_20356137,SCHEMBL11664098	287.31	WKQRBVXSCJDBTC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048759
CCCOC(=O)C1CCn2c1ccc2C(=O)c1ccco1	PC-id_20356077,SCHEMBL11657445	287.31	XTKOOFBSCBMSTP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048760
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccco1)C	PC-id_20356085,SCHEMBL11661307	287.31	RHGOAFVYOGEKKW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048761
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccoc1)C	SCHEMBL11661754,PC-id_20356165	287.31	PQRSIAZDDJAKSX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048762
Oc1ccc(cc1)C(CNC(=O)c1occ2c1CCC2)O	EMOLS-id_319230045	287.31	GJXXGAYWUSSUIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048763
OCc1cc(ccc1CO)NC(=O)c1occ2c1CCC2	EMOLS-id_316672673	287.31	JCMFNYVJCVVSHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048764
N#Cc1c(NC(=O)c2cccc(n2)F)sc2c1CCC2	PC-id_115497065	287.312	LWXOPPVNHLDYDV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048765
N#Cc1c(NC(=O)c2cccnc2F)sc2c1CCC2	PC-id_108091203	287.312	ARPBRXDIZOTKGW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048766
N#Cc1c(NC(=O)c2ccncc2F)sc2c1CCC2	PC-id_115645398	287.312	LRBFUDPIKHMDTB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048767
s1c2CCCc2c(c1NC(=O)c1ccc(F)nc1)C#N	PC-id_63978140	287.312	BYISNWIGVSUZOA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048768
s1c2CCCc2c(c1NC(=O)c1cc(F)ncc1)C#N	PC-id_61293268	287.312	LNXMBISJIOCLLM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048769
c12CN(Cc1n(nc2)CCO)Cc1cccc(c1)C(=O)O	EMOLS-id_55651500,ZINC22_244724720,PC-id_91835515,MCULE-4601940134	287.314	MZKZEPKWVVAIKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048770
c1(C(=O)c2ccc(OC)cc2OC)n2CCCc2nc1N	EMOLS-id_2721192,PC-id_5200377,MCULE-6789396369,ZINC22_4344198	287.314	CBXUYTAGYVCTIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048771
c1(C(=O)c2ccc(OC)c(OC)c2)n2CCCc2nc1N	ZINC22_4342674,PC-id_5200286,TIMTEC252272,MCULE-7238662325,EMOLS-id_2720997	287.314	JXCRKTWKOMYWCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048772
C1COc2cc(nn12)C(=O)NCCC(c1ccccc1)O	PC-id_91959803	287.314	UAPHLLFSBMUXFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048774
c1(C(=O)Nc2ccc(cc2OC)OC)c2CCCc2[nH]n1	EMOLS-id_179744827,MCULE-1660402428,PC-id_110388920	287.314	NSIHGSFTGLGYRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048775
c1(C(=O)Nc2ccc(cc2OC)OC)cn2c(CCC2)n1	MCULE-3245721667,EMOLS-id_321295835	287.314	RNLBLLBKAWYLFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048776
c1(C(=O)Nc2ccc(c(OC)c2)OC)c2CCCc2[nH]n1	MCULE-6525360470,EMOLS-id_179744830,PC-id_110388921	287.314	NZOZZKPIQOFQLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048777
c1(C(=O)Nc2ccc(c(OC)c2)OC)cn2c(CCC2)n1	MCULE-4585248876,EMOLS-id_321296091	287.314	LHMVHPQXTANOBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048778
c1(C(=O)Nc2cc(OC)cc(OC)c2)c2CCCc2[nH]n1	EMOLS-id_335023644,MCULE-7722324376	287.314	BQTAQNGPLKMGSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048779
c1(C(=O)Nc2c(OC)ccc(OC)c2)c2CCCc2[nH]n1	MCULE-4833899175,PC-id_110388919,EMOLS-id_179744824	287.314	NSESWJRWBHZZTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048780
c1(C(=O)Nc2c(OC)ccc(OC)c2)cn2c(CCC2)n1	MCULE-6560461290,EMOLS-id_321295579	287.314	QOUQGFMKYWQWBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048781
c1(C(=O)NCCc2ccc(c(O)c2)O)c2CCCc2[nH]n1	MCULE-1513144573,EMOLS-id_323260086	287.314	FDRBZOAOIKCYIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048782
COc1cccc(c1C(=O)NCc1cnc2n1CCC2)O	EMOLS-id_318968207	287.314	GCLVMSRYROSXNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048783
COc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)O	EMOLS-id_319222556	287.314	YCFHVZQRUXOEDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048784
COc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)O	EMOLS-id_319235520	287.314	OXUDRWMMVJONKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048785
COc1ccc(c(c1)O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319508892	287.314	AHZVFFQWYSPPTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048786
COc1ccc(c(c1)O)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319694896	287.314	WEKRVJSLTLYNGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048787
COc1cc(C(=O)O)ccc1NCc1cc2n(n1)CCC2	PC-id_146138133,ZINC22_901642105	287.314	QQJNKDOTTXEIGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048788
COc1cc(C(=O)O)ccc1NCc1cnn2c1CCC2	PC-id_146138135,ZINC22_901641564	287.314	LXDJIUKZHXHERC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048789
COc1ccnc(c1NC(=O)c1cc2c([nH]1)CCC2)OC	EMOLS-id_319423865	287.314	LWWWQQOBWYNHIH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048790
COCc1nc2CN(Cc2o1)C(=O)NCc1ccccc1	EMOLS-id_44372044,ZINC22_96260246,PC-id_97520322	287.314	RTASENMUUOSNJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048791
COC(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(cc1)C	SCHEMBL19609286	287.314	QXIZQIUIYKAXME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048792
COC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(cc1)C	SCHEMBL19584632	287.314	QXIZQIUIYKAXME-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048793
o1[n+]([O-])c2C(N(C(c2n1)(C)C)C(=O)c1ccccc1)(C)C	SCHEMBL9306081,PC-id_18957957	287.314	DYYPTIDUBCFAEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048794
OC1CC(C1n1cccn1)NC(=O)c1occ2c1CCC2	EMOLS-id_316566352	287.314	LTSOTYREBMHIFX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048795
Oc1ccc(cc1)C(CNC(=O)c1cn2c(n1)CCC2)O	EMOLS-id_319283879	287.314	LBBRMUNEDYAOPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048796
Oc1ccc(cc1)C(CNC(=O)c1cnc2n1CCC2)O	EMOLS-id_318775916	287.314	KPLRULXMJVUIPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048797
Oc1ccc(cc1)C(CNC(=O)c1cnn2c1CCC2)O	EMOLS-id_319600848	287.314	KGNZUIGYWLGUSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048798
Oc1ccc(cc1)C(CNC(=O)c1nn2c(c1)CCC2)O	EMOLS-id_318945618	287.314	AYGCXXSRBCHZDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048799
Oc1ccnc(n1)CCN(C(=O)c1occ2c1CCC2)C	EMOLS-id_320149398,MCULE-1043681799	287.314	BUJRCNIMTDAQQF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048800
OCc1cc(cc(c1)CO)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_258020129,MCULE-4741220385	287.314	HXOYHTCVSPIKSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048801
OCc1cc(ccc1CO)NC(=O)c1cnc2n1CCC2	EMOLS-id_316537555	287.314	FHKUXUAELDWEPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048802
OCc1cc(cc(c1)CO)NC(=O)c1cnc2n1CCC2	EMOLS-id_316693583	287.314	JIDDTLYVAIZNLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048803
OCc1cc(ccc1CO)NC(=O)c1cnn2c1CCC2	EMOLS-id_278443592	287.314	XZQYKRCPMRNDMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048804
OCc1cc(cc(c1)CO)NC(=O)c1cnn2c1CCC2	MCULE-4268235497,EMOLS-id_258020144	287.314	DSQCILSMEIQOTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048805
OCc1cc(ccc1OC)NC(=O)c1n[nH]c2c1CCC2	PC-id_112345354	287.314	VQFYJKMHZRJSAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048806
OCc1ccc(c(c1)O)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319308625	287.314	MCVZGRUWHLFCRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048807
O=C(c1n(C)nc2c1CCC2)NCc1cccc(c1O)O	EMOLS-id_319313820	287.314	VKFICDKTUJMARK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048808
O=C(c1n(C)nc2c1CCC2)NCc1c(O)cccc1O	EMOLS-id_319560057	287.314	UIIBZNDTJAJDQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048809
O=C(c1occ2c1CCC2)N1CC(C1)(O)c1ccnn1C	MCULE-8455132474,EMOLS-id_319915907	287.314	CNYWJPLLKHVTCA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048810
O=C(c1occ2c1CCC2)N1CC(C1)(O)c1nccn1C	EMOLS-id_319062763	287.314	JCVVMUCLSDOXGA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048811
O=C(c1occ2c1CCC2)N1CCC(C1)c1n[nH]c(c1)O	EMOLS-id_258010751,MCULE-6324705707	287.314	WIHNFWXDZNFSRE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048812
O=C(c1occ2c1CCC2)N1CCC(CC1)c1nocn1	EMOLS-id_318926706	287.314	VAVKQIQIIQLLBS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048813
O=C(c1occ2c1CCC2)N1CCCC(C1)c1nocn1	EMOLS-id_319037110	287.314	ZBPKDSOCJXLYLQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048814
O=C(Cc1ccc(c(c1)O)O)NCc1cnc2n1CCC2	EMOLS-id_318823559	287.314	QTBRIYIBZXMLFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048815
O=C(Cc1ccc(c(c1)O)O)NCc1n[nH]c2c1CCC2	EMOLS-id_318906479	287.314	ILSINPHBAWDESZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048816
OCCOc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	PC-id_111116259	287.314	JTLJBLAKIFNBGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048817
O=C(NC1CC(n2c1ncc2)C)Cc1ccc(c(c1)O)O	MCULE-1942103999,EMOLS-id_319840679	287.314	WJYXFBUNJCFYDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048818
O=C(NCc1cnc2n1CCC2)COc1ccccc1O	EMOLS-id_319024641	287.314	IQEBQIXAHLOFRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048819
O=C(NCc1n[nH]c2c1CCC2)COc1ccccc1O	EMOLS-id_318950655	287.314	FOBJRHJSHGECLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048820
ONC(=O)c1ccc(cc1)Cn1cc(c2c1CCN2O)C	PC-id_145568538	287.314	PGGCJQLQGKTFGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048821
s1c2c(CCC2)c(c1NC(=O)c1cccnc1)C(=O)[O-]	PC-id_2070992	287.314	LWAUYBRLQTZQEY-UHFFFAOYSA-M	00000010100000101000000010000000000000000000000000000000	25-01-048822
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)[O-]	PC-id_74789716	287.314	NHLKZTYVPMLBOD-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-048823
s1c2CC[C@H](c2nc1NC(=O)c1ccccc1)C(=O)[O-]	PC-id_42281823	287.314	NHLKZTYVPMLBOD-SECBINFHSA-M	00000010100000110001000010000000000000000000000000000000	25-01-048824
s1c2CC[C@@H](c2nc1NC(=O)c1ccccc1)C(=O)[O-]	PC-id_42281825	287.314	NHLKZTYVPMLBOD-VIFPVBQESA-M	00000010100000110001000010000000000000000000000000000000	25-01-048825
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1c(C)non1	EMOLS-id_23815104,PC-id_45200455,MCULE-1359820082	287.317	CJVNAQVCJLXPGP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048826
c1(c2CCCc2[nH]n1)C(=O)N1CCC(C1)c1onc(C)n1	EMOLS-id_68910037,PC-id_118779853,MCULE-1926586673	287.317	CQBIJWKPBLCBGO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048827
c1(c2CCCc2n[nH]1)C(=O)N1CCCC(C1)c1nocn1	MCULE-8549972318,EMOLS-id_82710873,EMOLS-id_318394386,PC-id_119062674	287.317	RAOGXUNNOOJOSW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048828
c1(C(=O)N2CCC(CC2)c2nocn2)c2CCCc2n[nH]1	MCULE-3188908876,PC-id_119067966,EMOLS-id_82724957,ZINC22_426535880	287.317	MYXLAUHMTHHLLX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048829
CC1CC(=O)N(C1=O)CC(c1nc2n(n1)nc(c2=C)C)C	SCHEMBL13741625,PC-id_57604372	287.317	WHUQSFBCWVTMGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048830
Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCn2ccnc12	ZINC22_1548451622	287.317	BUJAWKVQXOIFEX-JTQLQIEISA-N	00100010100000000001100010000000000000000000000000000000	25-01-048831
Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CCn2ccnc12	ZINC22_1548451623	287.317	BUJAWKVQXOIFEX-SNVBAGLBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048832
Cc1noc([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_299776764	287.317	CQBIJWKPBLCBGO-SECBINFHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048833
Cc1noc([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_299776768	287.317	CQBIJWKPBLCBGO-VIFPVBQESA-N	00000010100000000001100010000000000000000000000000000000	25-01-048834
Cc1nonc1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	CoCoCo_1315344,CoCoCo_1315342,ZINC22_20907868	287.317	CJVNAQVCJLXPGP-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048835
Cc1nonc1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	CoCoCo_1315345,ZINC22_20907865,CoCoCo_1315343	287.317	CJVNAQVCJLXPGP-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-048836
CC(c1cnn(c1)C1CC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_320163514,MCULE-6266062011	287.317	OMTYZJRVDMHELQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048837
C[C@H](NC(=O)c1cc(C2CC2)on1)c1nnc2n1CCC2	PC-id_97089738,ZINC22_89913813	287.317	FIZXIGLPVPJNDH-QMMMGPOBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048838
C[C@@H](NC(=O)c1cc(C2CC2)on1)c1nnc2n1CCC2	PC-id_97089739,ZINC22_89913814	287.317	FIZXIGLPVPJNDH-MRVPVSSYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048839
C[C@@H](NC(=O)c1cn(C)ccc1=O)c1nnc2n1CCC2	ZINC22_1411659903	287.317	DRRCKOQVBJAJON-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048840
C[C@H](NC(=O)c1cn(C)ccc1=O)c1nnc2n1CCC2	ZINC22_1411659919	287.317	DRRCKOQVBJAJON-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-048841
CCn1cncc(c1=O)NC(=O)c1c2CCCc2nn1C	PC-id_136570562	287.317	HRMUTZFPLVSMSL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048842
CCn1nc(ccc1=O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319498570	287.317	MFMAFSAJFRHPLE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048843
CCn1nc(ccc1=O)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318986513	287.317	WTFHLRJXNDSNNG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048844
CCOc1cnc(cn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319518728	287.317	LQAYFMUVPQEZRW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048845
CCOc1ncccc1C(=O)NCc1nnc2n1CCC2	MCULE-7639613913,CoCoCo_4474362,ZINC22_24838579,PC-id_32154699,EMOLS-id_18853399	287.317	MJFNLTBLXQFSHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048846
Cn1ccc(=O)c(c1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_324042860,PC-id_145904843,MCULE-4160760527	287.317	DRRCKOQVBJAJON-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048847
CN(Cc1ccc(nc1)NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_320065961,MCULE-6910383569	287.317	VKEPRDOIWMUQJP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048848
CN(Cc1nnc2n1CCC2)C(=O)c1cc(C2CC2)on1	EMOLS-id_45751168,ZINC22_89364934,MCULE-2043920213,PC-id_71896154	287.317	XYDATVUVONODRZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048849
CN(Cc1nnc2n1CCC2)C(=O)Cn1ccccc1=O	PC-id_53517570,EMOLS-id_35706608,MCULE-5780927578,ZINC22_65590769	287.317	PCGGKWFCSHCTKY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048850
CN(C)C(=O)c1nn(C)c2c1CN(C(=O)c1cc[nH]c1)C2	EMOLS-id_313721764,ZINC22_1565548538	287.317	ZXPSBBRJFKJWLD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-048851
CN(C(=O)c1cccc(c1O)N)Cc1nnc2n1CCC2	PC-id_104204628	287.317	JITBWECEGGCKQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048852
CN(C(=O)c1ccc(c(c1)O)N)Cc1nnc2n1CCC2	PC-id_107074590	287.317	KUIRDILSPSNGEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048853
CN(C(=O)c1c[nH]c(cc1=O)C)Cc1nnc2n1CCC2	PC-id_103717476	287.317	AXOCNJLYHXBHED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048854
CN(C(=O)c1nn2c(c1)OCC2)CCNc1ccccn1	EMOLS-id_318875864	287.317	PMZSAVZTPPURCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048855
CNC(=O)CN1Cc2c(C1)[nH]nc2COc1ccccn1	PC-id_97406027	287.317	ZBBWYXVTAXNOSJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048856
COc1cccc(NC(=O)NCc2nnc3n2CCC3)c1	ZINC22_11562687,PC-id_24239346,CoCoCo_4582399,EMOLS-id_17183683,MCULE-1715199224	287.317	GZZJHSYHXXHVKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048857
COc1cnc(N(C)C(=O)c2c3c(nn2C)CCC3)nc1	ZINC22_905216546,MCULE-5910646417,PC-id_136570500,EMOLS-id_316976881	287.317	AFMKHHARJFUHCI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048858
COc1ncccc1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_53499638,EMOLS-id_35706622,MCULE-8944005457,ZINC22_65390731	287.317	IRDNCJLGRBGBDW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048859
COc1ncccc1C(=O)NCCc1nnc2n1CCC2	ZINC22_65428474,EMOLS-id_35706210,MCULE-1848308545,PC-id_53503889	287.317	GSKTUTJHSLKZQN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048860
o1nc(cc1C1CC1)C(=O)NC(c1n2CCCc2nn1)C	EMOLS-id_45751124,MCULE-5234312325,PC-id_71896177	287.317	FIZXIGLPVPJNDH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048861
o1nc(cc1C1CC1)C(=O)NCCc1n2CCCc2nn1	PC-id_60445731	287.317	NCKIASHXZKFDLW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048862
OC1CC(C1n1cccn1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_316566354	287.317	KQPXPMNEIFOPAA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048863
OC1CC(C1n1cccn1)NC(=O)c1cnc2n1CCC2	EMOLS-id_278892015	287.317	NEZPOFSHZZBXFB-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048864
Oc1ccc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_107074591	287.317	CKJVLTGHEGILMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048865
Oc1ccnc(n1)CCN(C(=O)c1cnn2c1CCC2)C	EMOLS-id_319164007	287.317	SFBSWRUSWTXEMD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048866
Oc1ccnc(n1)CCN(C(=O)c1nn2c(c1)CCC2)C	EMOLS-id_319700747	287.317	DYMBUKFPJXGXHE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048867
Oc1[nH]nc(c1)C1CCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-3037725631,EMOLS-id_320068979	287.317	ZNLPZVLCIMZJKU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048868
O=C(c1cnc2n1CCC2)N1CCC(C1)c1n[nH]c(c1)O	MCULE-5856014144,EMOLS-id_316536525	287.317	WTZSMOMADRPFQL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-048869
O=C(c1c[nH]c(cc1=O)C)NC(c1nnc2n1CCC2)C	PC-id_103717721	287.317	LKWZBZFRGVQVEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048870
O=C(c1cnn2c1CCC2)N1CCC(CC1)c1nocn1	MCULE-7601880209,EMOLS-id_320055085	287.317	NOTGNSDDMUHFJQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048871
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)c1nocc1	EMOLS-id_319749040	287.317	HNYILCXENVPTJM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048872
O=C(c1n(C)nc2c1CCC2)NCCn1cccnc1=O	EMOLS-id_318977303	287.317	RSBBNJSEAQOXAN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048873
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)c1nocn1	MCULE-5816013203,EMOLS-id_320286565	287.317	DKHOIGHSZSPDPP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048874
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)c1ncc[nH]1	EMOLS-id_99593030	287.317	QNTOIZXZODQZHB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048875
O=C(c1nn2c(c1)OCC2)NC[C@@H]1C[C@H]1c1ccnn1C	EMOLS-id_319038473	287.317	JCHJXYZZBJXOPR-VHSXEESVSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048876
O=C(c1n[nH]c2c1CCC2)N1CC(C1)(O)c1nccn1C	EMOLS-id_319569869	287.317	GTZDGEFDNODYTJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048877
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2ncon2)C1	ZINC22_426434145	287.317	RAOGXUNNOOJOSW-SECBINFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048878
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2ncon2)C1	ZINC22_426434146	287.317	RAOGXUNNOOJOSW-VIFPVBQESA-N	00000010100010000001100010000000000000000000000000000000	25-01-048879
OCc1nnn(c1)C1CN(C1)C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319849258	287.317	RSHAKHJWGYVRLJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048880
O=C(c1occ2c1CCC2)N1CCC(CC1)c1n[nH]nn1	EMOLS-id_319395119	287.317	JXEZXXHXDBWSIX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048881
O=C(c1occ2c1CCC2)N1CCN(CC1)c1n[nH]cn1	EMOLS-id_316479965,MCULE-8280745099	287.317	VOBQEZDFKPLBML-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048882
O=C(CCc1nc(C2CC2)no1)N=c1cc2n([nH]1)CCC2	MCULE-1189834895,ZINC22_1857527522,PC-id_146105909,EMOLS-id_324063343	287.317	FAYLLRYBBBYCEP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048883
O=C(CCn1cnccc1=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319149166	287.317	WYDZKPYJGVPDAT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-048884
OCCn1ncc2c1CN(C2)C(=O)Nc1ccc(nc1)C	EMOLS-id_68907805,MCULE-4768684944,PC-id_118778780	287.317	NUOQUZPWIXIYIK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048885
O=C(N1Cc2n(ncc2C1)CCO)c1cc(ncc1)NC	PC-id_74239037	287.317	WEGBMIMPXBNNSC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048886
O=C(Nc1c(C)noc1C1CC1)NC1CCn2c1ncc2	MCULE-6700194131,EMOLS-id_316284288	287.317	BUJAWKVQXOIFEX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048887
O=C(NC(c1n2CCCc2nn1)C)c1cc(=O)n(cc1)C	PC-id_53531204	287.317	TVKDGURFHUERHL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048888
O=C(NCc1n2CCCc2nn1)Nc1c(OC)cccc1	PC-id_24612536	287.317	CBPAPAKPNFOHHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048889
O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc2n(n1)CCC2	MCULE-7081562814,EMOLS-id_316120435,ZINC22_616776932	287.317	RBPPVWKXSHLOJH-CYZMBNFOSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048890
O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnn2c1CCC2	EMOLS-id_316119923,ZINC22_656857157,MCULE-1847299119	287.317	GDOBUKKXGUHSEE-CYZMBNFOSA-N	00001010100000000001100010000000000000000000000000000000	25-01-048891
O(C(=O)c1ccc(NCc2n3CCCc3nn2)nc1)CC	PC-id_31537355	287.317	PCTHBNKJXKDGLP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-048892
[O-][N+](=O)c1ccc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_43748035	287.317	VZPCSNINEQSEJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048893
[O-][N+](=O)c1cc(CNC(c2n3CCCc3nn2)C)ccc1	PC-id_43748034	287.317	SZQVPGQBWSHMNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048894
[O-][N+](=O)c1c(CNC(c2n3CCCc3nn2)C)cccc1	PC-id_43748036	287.317	NYVYNKCQOMLCPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048895
O=C(c1cn2c(n1)CCC2)N1CCN(CC1)c1n[nH]cn1	EMOLS-id_278415893	287.32	AQWFUVOQMHWTNC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048896
O=C(c1cnn2c1CCC2)N1CCC(C1)Cc1nnn[nH]1	EMOLS-id_318871828	287.32	NWODJTTYDRSMOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048897
O=C(c1cnn2c1CCC2)N1CCN(CC1)c1n[nH]cn1	EMOLS-id_316721993	287.32	GOOKOHZQWXPWGK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-048898
O=C(c1nn2c(c1)CCC2)N1CCC(C1)Cc1nnn[nH]1	EMOLS-id_319212437	287.32	SRCXSGWAWAORHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048899
O=C(c1n[nH]c2c1CCC2)NCc1nnnn1CC1CC1	EMOLS-id_100057782	287.32	ZUOKWLOJUOJJLM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-048900
O=C(N(Cc1n2CCCc2nn1)C)c1nc([nH]n1)C1CC1	PC-id_80379916	287.32	FRVTYCOOKACPNV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048901
O=C(NC(c1n2CCCc2nn1)C)c1nc([nH]n1)C1CC1	PC-id_80383895	287.32	XYUPJTHMHCAXLE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-048902
FC(C1CCCC(C1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318019918,MCULE-1367487580	287.324	ZYNCIYKGRKSFFX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048903
FC(C1CCC(CC1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318174818,MCULE-1052999559	287.324	OSXRYDICGFTABE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048904
FC(C1CCCCCN1Cc1cnn2c1CCC2)(F)F	EMOLS-id_318811183	287.324	MWDFETAXFDHGQD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-048905
FC([C@@H]1CCCC[C@@H]1NCc1cnc2n1CCC2)(F)F	EMOLS-id_320187521,MCULE-2100637579	287.324	IIUBMOJKFQMWLC-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048906
n1(nc(c(c1N/N=C/1c2n(N=C1C)c(nn2)C)C)C)CN	PC-id_58090588,SCHEMBL12052258	287.324	OVRNPUAQOGSRHQ-GDNBJRDFSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048907
n1(nc(c(c1NN=C1c2n(N=C1C)c(nn2)C)C)C)CN	PC-id_70642050	287.324	OVRNPUAQOGSRHQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048908
n1(nc(c(c1N/N=C/1c2n(N=C1C)nc(n2)C)C)C)CN	PC-id_58113663,SCHEMBL12910482	287.324	KAQFLDREBTTXBC-GDNBJRDFSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048909
n1(nc(c(c1NN=C1c2n(N=C1C)nc(n2)C)C)C)CN	PC-id_70796562	287.324	KAQFLDREBTTXBC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048910
s1nc(c([N+]#[C-])c1N/N=C/1c2[n+](N=C1C)cn(n2)C)C	PC-id_23386361	287.324	CXCFSBDQIFPSOK-JYRVWZFOSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048911
s1nc(c([N+]#[C-])c1NN=C1c2[n+](N=C1C)cn(n2)C)C	PC-id_74046498	287.324	CXCFSBDQIFPSOK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-048912
O=C1OC(CC1(F)F)CNCc1sc2c(c1)CCC2	PC-id_106492454	287.326	VSMRWNRPLIYHMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-048913
O=C(N1CCOCC(C1)(F)F)c1sc2c(c1)CCC2	EMOLS-id_102723940	287.326	VEOWFKKDUKYYGV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-048914
COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(cc1C)F	PC-id_59180180,SCHEMBL1058406	287.329	KTYUUGBGDGTRKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048915
Fc1ccc(cc1)C(CNC(=O)c1occ2c1CCC2)C	EMOLS-id_318653979	287.329	QZIIQNONBWWPIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048916
c1(CNC(=O)Cc2ccc(cc2)F)c2CCCc2nn1C	ZINC22_225818436,PC-id_91819403,MCULE-8323515396,EMOLS-id_53884675	287.332	OKASWLWHKHILFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048917
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2C)F)n1	MCULE-5726684061,EMOLS-id_331038212	287.332	JIBLXFUINHQJST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048918
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2F)C)n1	MCULE-6417472300,EMOLS-id_331037700	287.332	HHBLNLAKAWNIMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048919
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)ccc2F)n1	EMOLS-id_331035909,MCULE-3026295034	287.332	DIQOMURGBILJJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048920
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(C)c2)F)n1	EMOLS-id_331037956,MCULE-5039035776	287.332	XFAPVMAHAPVELL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048921
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(C)c2F)n1	MCULE-6080490352,EMOLS-id_331036165	287.332	CQZFCPKDHSLOKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048922
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(F)c2)C)n1	EMOLS-id_331037444,MCULE-1496133751	287.332	LSLLTJHFADBVRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048923
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(F)c2C)n1	EMOLS-id_331038469,MCULE-3330119300	287.332	MDEKHRWZIWFNIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048924
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)ccc2C)n1	MCULE-2241748569,EMOLS-id_331034630	287.332	CREVCNARCHKDCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048925
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1C)F	MCULE-4559436850,EMOLS-id_331016126	287.332	VISQNANDJJTSMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048926
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1F)C	EMOLS-id_331015614,MCULE-4556363563	287.332	RHRYAUKURJATSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048927
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(C)c1)F	EMOLS-id_331015870,MCULE-9847538997	287.332	LAPIUUZVTYNCJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048928
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(C)c1F	EMOLS-id_331018174,MCULE-5872561070	287.332	WKADDZOKACKGOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048929
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)ccc1F	MCULE-1753843944,EMOLS-id_331017918	287.332	DETBAVSNGDZILZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048930
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(F)c1C	EMOLS-id_331016383,MCULE-7827589093	287.332	FXIFGMNLACVBPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048931
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(F)c1)C	MCULE-1279883615,EMOLS-id_331015358	287.332	COQDGCMCEGBSRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048932
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)ccc1C	MCULE-4106270175,EMOLS-id_331016639	287.332	LPHBGCGKDAHCMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048933
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccccc1F	EMOLS-id_331020987,MCULE-7006382859	287.332	JAGOZPASQMXAME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048934
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)F	MCULE-1095890420,EMOLS-id_331020217	287.332	TVGSQTXCIJFPDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048935
c1(C(=O)NCCc2ccccc2F)c2CCCc2n(C)n1	EMOLS-id_179745112,MCULE-4939572532,PC-id_110389016	287.332	ABGXBJNPHKOZGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048936
c1(C(=O)NCCc2ccc(cc2)F)c2CCCc2n(C)n1	EMOLS-id_179745115,MCULE-9639875996,PC-id_110389017	287.332	LYUSSWLPPNQNOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048937
C/C=CC(=C/C=C)C1CC(c2n1nc(n2)C(=O)C1CC1)F	PC-id_142515037	287.332	FYLQQPBPQUSJRC-KNVSICBPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-048938
C/C=CC=C(/C(=C)[C@@H]1CCc2n1nc(n2)C(=O)C1CC1)F	SCHEMBL20867628,PC-id_138515831	287.332	VITLTELLEZKPCX-OYYOTOCRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-048939
Fc1cc(C)c(c(c1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318894319	287.332	JMEIZJFDXMXIHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048940
FCC(c1ccccc1C)NC(=O)c1cnn2c1CCC2	EMOLS-id_319367619	287.332	NTJONNPZWFIGPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048941
FCC(c1ccccc1C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318943557	287.332	KJNPXZWFVTYGSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048942
O=C(c1cc(C)c(c(c1)C)F)NCc1cnc2n1CCC2	MCULE-1436330962,EMOLS-id_320073004	287.332	OEYFYWBZKRYAHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048943
O=C(c1cc(C)c(c(c1)C)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319318635	287.332	JUJARDVPCFFCIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048944
O=C(C(c1ccccc1F)C)NCc1cnc2n1CCC2	EMOLS-id_318861902	287.332	LAVAINYAKKXODP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048945
O=C(C(c1ccccc1F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319191919	287.332	MNTHBGBEWKEKGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048946
O=C(Cc1cc(C)ccc1F)NCc1cnc2n1CCC2	EMOLS-id_319150125	287.332	SEECQYAMEBEJBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048947
O=C(Cc1cc(C)ccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_318958539	287.332	YQHAUVWMJRUXSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048948
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)O	ChEMBL-DNDi_CHEMBL1573389,BindingDB_PC-id_722255,SCHEMBL21247366,EMOLS-id_1260844,BindingDB-id_90925,BAS-00679355,CHEMBL1573389,PC-id_722255,CK1126942,ZINC22_125918,MCULE-4455843412,CoCoCo_116697,ChEMBL-DNDi_CHEMBL5666522	287.334	JEEWRTJYBDZVBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048949
CCc1cc2n(c1C(=O)c1cccs1)CC=C2C(=O)O	PC-id_70629340,SCHEMBL11662950	287.334	UGUXOQLPODDIQE-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-048950
OC(=O)c1cccc(NC(=O)c2cc3CCCc3s2)c1	EMOLS-id_27361125,ZINC22_13094676,MCULE-9352634217,CoCoCo_3917690,PC-id_20118457	287.334	PGYCOJMXQYXARW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048951
s1c2CCCc2cc1C(=O)Cc1ccc([N+](=O)[O-])cc1	PC-id_61056911	287.334	ZXHGQBLLDZAALJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048952
s1c2CCCc2cc1C(=O)Cc1c([N+](=O)[O-])cccc1	PC-id_61055673	287.334	NLODKVGADDMIQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048953
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)O	PC-id_20120886	287.334	GQMMUICOTJBQIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048954
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C(=O)O	PC-id_25732350	287.334	HBGLGFKORFFUES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-048955
CCCC(C(=O)O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_72217392,MCULE-6080432948,PC-id_120394086	287.335	KJVWOTGXYOSFBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048956
CC(C)[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)O	MCULE-8325987010,ZINC22_262354520,PC-id_120395006,EMOLS-id_72219064	287.335	BRQLLTXCIYJHHA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048957
CC(C)[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)O	ZINC22_262354518,EMOLS-id_72224832,PC-id_120394787,MCULE-1108363443	287.335	BRQLLTXCIYJHHA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-048958
CC(C)(C)OC(=O)N1Cc2cnn(c2C1)S(=O)(=O)C	PC-id_101043397,MCULE-4342459800,EMOLS-id_289950164,SCHEMBL16479715	287.335	YQHMKJTVIUNLNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048959
CCCCOC(=O)N1Cc2cn(nc2C1)S(=O)(=O)C	PC-id_86716051	287.335	OUVMTBDWVOLBSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048960
CC(C)(C)OC(=O)N1Cc2cn(nc2C1)S(=O)(=O)C	ZINC22_148379201,EMOLS-id_53745066,MCULE-8943114235,SCHEMBL14358443,PC-id_71151276	287.335	SNEHALFDVXIDSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048961
CC(C(C(=O)O)NS(=O)(=O)c1cnc2n1CCC2)C	MCULE-9446487060,EMOLS-id_303063994,PC-id_122067925	287.335	BRQLLTXCIYJHHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048962
CCCN(S(=O)(=O)c1cnc2n1CCC2)CC(=O)O	MCULE-1764234427,EMOLS-id_72224072,PC-id_120397221	287.335	SSSXEEHTYNCHFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048963
CCN(S(=O)(=O)c1cnc2n1CCC2)C(C(=O)O)C	EMOLS-id_316668187	287.335	XTJBMTQHDOFROR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048964
CCOCCC(=O)NS(=O)(=O)c1cnc2n1CCC2	MCULE-3033797683,EMOLS-id_53833616,ZINC22_225789515,PC-id_100752299	287.335	LYAKDOBBYVFDKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048965
Brc1oc2CN(Cc2c1)C(=O)OC(C)(C)C	PC-id_82378275	288.138	CABVPPLTJGYKPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049496
COC(C(=O)NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_110405165	287.335	YGEIDNUWLPUNIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048966
CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101964147	287.335	PXUPYHLCWWYDEN-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048967
OC1(COCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100233859	287.335	VMXBGAKOJYIOMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048968
O=C(N1Cc2c(C1)nc([nH]2)S(=O)(=O)C)OC(C)(C)C	SCHEMBL17380077,PC-id_118613822	287.335	LVVVPRGSPFGNDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048969
OC(=O)C(CN(S(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_72223970,PC-id_120397917,MCULE-6475095821	287.335	YDCFOOQOQSBELA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048970
OC(=O)CN(S(=O)(=O)c1cnc2n1CCC2)C(C)C	MCULE-7771200736,EMOLS-id_72221352,PC-id_120396809	287.335	OVMOXYXZNJAYNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048971
O=S(=O)(c1cnc2n1CCC2)NCC1COCCO1	EMOLS-id_100192776	287.335	FFKDUIKOOFLGJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-048972
c1(NC(=O)c2ccccn2)sc2c(CCC2)c1C(=O)N	CoCoCo_6400909,PC-id_19224245,ZINC22_27924573,MCULE-2435876708,GD-id_ZINC27924573	287.337	SOMYLFOMXCADOG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048973
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_3983675,ZINC22_568701,CoCoCo_6598724,SPECS-id_AN-153/J107653,TIMTEC116519,PC-id_959646,MCULE-8695454215	287.337	DBSAIQUZTSLTEM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-048974
c1(NC(=O)c2c(C)noc2C)sc2c(CCC2)c1C#N	CoCoCo_1066972,EMOLS-id_2563645,MCULE-5958107007,PC-id_5065518,ZINC22_2749625	287.337	RZJQZYGZIJCRCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048975
c1(NC(=O)c2cc(on2)CC)sc2c(CCC2)c1C#N	MCULE-3320750838,PC-id_46246338,EMOLS-id_17423970	287.337	GRPIRXFMRXUVDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-048976
c1(NC(=O)NCc2ccco2)sc2c(CCC2)c1C#N	MCULE-4852632546,PC-id_2236500,EMOLS-id_2516417,ZINC22_2884199,CoCoCo_567974	287.337	HBDGOFLKQZCTJQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-048977
CCc1nc2s/c(=Cc3ccccc3OC)/c(=O)n2n1	EMOLS-id_324843750	287.337	FJPDWJGNURYHAC-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048978
CCc1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324843755	287.337	YMKOUHOCESMNKO-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048979
CCc1nc2s/c(=Cc3cccc(OC)c3)/c(=O)n2n1	EMOLS-id_324844774	287.337	MCTCBXFDNYQJPR-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048980
CCc1nc2s/c(=Cc3ccc(OC)cc3)/c(=O)n2n1	EMOLS-id_324842213	287.337	KTLGHTKJUIWKQV-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048981
CCCc1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324845794	287.337	KOMGXMOINJXYBW-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048982
CC(C)c1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324847851	287.337	XGPUSTJXRAWLLC-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048983
CCCc1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324841711	287.337	RTPQNMWALLCISU-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048984
CC(C)c1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324847848	287.337	NLSKLKVKPUETCU-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048985
CCCOc1ccc(cc1)/C=c/1sc2n(c1=O)ncn2	BAS-03308483,ZINC22_13151407,EMOLS-id_1427340,STOCK2S-55136	287.337	MLJRVBXFYJIPSY-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048986
CCCOc1ccccc1/C=c/1sc2n(c1=O)ncn2	ZINC22_13647663,STOCK3S-44297,EMOLS-id_4506200	287.337	KTUZLALYYRHFKT-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048987
CCCOc1ccccc1/C=c
/sc2ncnn2c1=O	ZINC22_1827037,SPECS-id_AS-871/41703203,EMOLS-id_554012	287.337	KTUZLALYYRHFKT-XYOKQWHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048988
CCCOc1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_2308706,EMOLS-id_45960973	287.337	MLJRVBXFYJIPSY-XYOKQWHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048989
C=CC(=O)Nc1cccc(c1)Oc1n[nH]c2c1SCC2	SCHEMBL17450453,PC-id_118671538	287.337	JLPNBLBZHQDBQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-048990
CCOc1ccccc1/C=c/1sc2nnc(C)n2c1=O	ZINC22_13547547	287.337	USRBHWMRXJAXPJ-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048991
CCOc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1	EMOLS-id_324841452	287.337	JCKGROCSQUPKDB-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048992
CCOc1cccc(/C=c/2sc3nc(C)nn3c2=O)c1	EMOLS-id_324842721	287.337	VKYRSSIYQIEMKC-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048993
CN(C(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2)C	PC-id_18626974,SCHEMBL7153584	287.337	NANBAPURDFONFV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-048994
CN(C(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2)C	PC-id_70005846,SCHEMBL7153580	287.337	NANBAPURDFONFV-RMKNXTFCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-048995
CN(C(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2)C	SCHEMBL7153572	287.337	NANBAPURDFONFV-TWGQIWQCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-048996
COCc1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324899329	287.337	PAGSYNIJWAIGIU-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048997
COCc1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324896783	287.337	YAOYZOYKCISIDF-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048998
COCc1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324902400	287.337	MRDNMYKOFCFGLF-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-048999
n12c(=O)c(=Cc3cccc(O)c3)sc1nc(C(C)C)n2	MCULE-4857423054	287.337	XGPUSTJXRAWLLC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049000
n12c(=O)c(=Cc3ccc(O)cc3)sc1nc(C(C)C)n2	MCULE-3358825002	287.337	NLSKLKVKPUETCU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049001
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COC	MCULE-8655228883	287.337	PAGSYNIJWAIGIU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049002
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)CCC	MCULE-2192901224	287.337	RTPQNMWALLCISU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049003
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CC	MCULE-4451483095	287.337	FJPDWJGNURYHAC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049004
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)CC	MCULE-5903636519	287.337	KTLGHTKJUIWKQV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049005
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)C	MCULE-2280007111	287.337	JCKGROCSQUPKDB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049006
n12ncnc1sc(=Cc1ccc(cc1)OCCC)c2=O	MCULE-4359245334,EMOLS-id_299989491	287.337	MLJRVBXFYJIPSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049007
n12ncnc1sc(=Cc1ccccc1OCCC)c2=O	MCULE-4568590319,EMOLS-id_300018298	287.337	KTUZLALYYRHFKT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049008
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)COC	MCULE-2271123777	287.337	YAOYZOYKCISIDF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049009
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COC	MCULE-8859727125	287.337	MRDNMYKOFCFGLF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049010
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)CC	MCULE-4656692272	287.337	YMKOUHOCESMNKO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049011
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCC	MCULE-7690985227	287.337	KOMGXMOINJXYBW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049012
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CC	MCULE-7354344813	287.337	MCTCBXFDNYQJPR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049013
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)C	MCULE-1179612874	287.337	VKYRSSIYQIEMKC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049014
NC(=O)c1c2c(CCC2)sc1NC(=O)c1ccncc1	CoCoCo_3218590,MCULE-6857435314,EMOLS-id_3233889,GD-id_ZINC02641949,PC-id_2104835,ZINC22_2641949	287.337	MYPQIQVKJWXZOU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049015
NC(=O)[C@H]1CCc2c1nc(s2)NC(=O)c1ccccc1	PC-id_40805324,CoCoCo_5124732	287.337	XIIIVYXVLXSFHF-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-049016
NC(=O)[C@@H]1CCc2c1nc(s2)NC(=O)c1ccccc1	PC-id_40805325,CoCoCo_5124733	287.337	XIIIVYXVLXSFHF-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049017
O=C(c1cc2c(s1)cco2)NCc1cnc2n1CCC2	MCULE-4821916403,EMOLS-id_320130108	287.337	LHMRYNUBNUGCCU-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049018
O=C(c1ccc(cc1)C(=O)N)Nc1sc2c(n1)CCC2	GD-id_ZINC48675070	287.337	LOUUTPBUCPDUHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049019
O=C(c1sc2c(c1)CCC2)NNC(=O)c1ccccn1	PC-id_16374620,CoCoCo_3238957,EMOLS-id_11828953,MCULE-5300651186	287.337	CQHYXPAAGGIALF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049020
O=C(c1sc2c(c1)CCC2)NNC(=O)c1ccncc1	PC-id_27684386,MCULE-5634771184,EMOLS-id_25624808,CoCoCo_3236750	287.337	KRXKUGKPGOINSG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049021
s1c2CCCc2cc1C(=O)NNC(=O)c1cccnc1	PC-id_27684408	287.337	MOHBTSOTFOKCHI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049022
s1c2c(CCC2)c(c1NC=C(C#N)C#N)C(=O)OCC	PC-id_8198643	287.337	FBUQZJVKFXURQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049023
s1c2CCCc2c(c1NC=C(C(=O)OCC)C#N)C#N	PC-id_78631202	287.337	IZEMYUMWAGYYTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049024
s1c2CCCc2c(c1N/C=C(/C(=O)OCC)C#N)C#N	PC-id_8198805	287.337	IZEMYUMWAGYYTN-CMDGGOBGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049025
s1c2CCCc2c(c1NC(=O)c1oc(cc1)CN)C#N	PC-id_80009238	287.337	PCCNKLFIYXSIGT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-049026
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N	PC-id_16947152	287.337	XIIIVYXVLXSFHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049027
s1c2CCCc2nc1NC(=O)c1cc(ccc1)C(=O)N	PC-id_37833347	287.337	PIIDCMULZCPPGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049028
S1c2n(nc(n2)C=Cc2ccc(OCC)cc2)C(=O)C1	PC-id_82358024	287.337	IAHIBULCODHLEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049029
S1c2n(nc(n2)CCC(=O)c2ccc(cc2)C)C(=O)C1	PC-id_82358011	287.337	SZJCNHYWYOUBEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049030
S1C(C(=O)n2c1nnc2)C=Cc1ccc(OCC)cc1	PC-id_18891880	287.337	BUAPYGYDRZNTFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049031
S1C(C(=O)n2c1nnc2)C=Cc1c(OCC)cccc1	PC-id_18891876	287.337	VRURDABIBLSDMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049032
S1C(C(=O)n2c1nnc2C)C=Cc1ccc(OC)cc1	PC-id_18891894	287.337	NDCGYCNWEMMFMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049033
CN(CC(=O)NCc1nnc2n1CCC2)S(=O)(=O)C	ZINC22_46329925,EMOLS-id_320299002,MCULE-2680750394	287.339	FAVFMIBMECGQTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049034
S(=O)(=O)(NCC(=O)NCCc1n2CCCc2nn1)C	PC-id_60580273	287.339	IJLADFAGQJWRJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049035
CN(C)c1cc(c(cc1)Nc1c(n2C=CCn2c1=O)[NH3+])N	PC-id_136626453	287.34	URCKHEMSDRZYEM-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-049036
CN(C)c1cc(c(cc1)Nc1c(n2C=CC[n+]2c1O)N)N	PC-id_91140627	287.34	LHUKDKAOSBTYJV-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-049037
NC1=CC(=[N+](C)C)C=C/C/1=Nc1c(=O)n2n(c1N)CCC2	PC-id_57578006,SCHEMBL3862109	287.34	QWXPMEYLXLOROV-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-049038
N#Cc1cn[nH]c1C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_319292729	287.34	CUUOJXIHNSGLSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049039
O=C(c1cc2c(s1)[nH]nc2)NC1CC(n2c1ncc2)C	MCULE-5487675592,EMOLS-id_319935969	287.34	NLUOXDLUNKDASD-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049040
O=C(c1cc2c(s1)[nH]nc2)Nc1n(C)nc2c1CCC2	EMOLS-id_319710115	287.34	WMNPXDACGQECKV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049041
O=C(c1cc2c(s1)[nH]nc2)NCc1nn2c(c1)CCC2	EMOLS-id_319304061	287.34	BJZSXHHFAIVPKT-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049042
O=C(c1cc2c(s1)[nH]nc2)NCc1n[nH]c2c1CCC2	EMOLS-id_318864912	287.34	DEYYRRGZZPONIX-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049043
O=C(c1csc2n1cnc2)NCc1cnc2n1CCC2	EMOLS-id_318891087	287.34	MUSQJJDMEHBMAL-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049044
O=C(c1csc2n1cnc2)NCc1n[nH]c2c1CCC2	EMOLS-id_318815316	287.34	VXDNTZZUVUZNOO-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049045
s1c2CCCc2c(c1NC(=O)c1nc([nH]n1)CC)C#N	PC-id_80384794	287.34	OCJGVOCLEGCJOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049046
s1c2CCCc2c(c1NC(=O)c1nn(cc1N)C)C#N	PC-id_65354059	287.34	RQPZNUKKKIOCOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049047
s1c2CCCc2c(c1NC(=O)c1n(ncc1N)C)C#N	PC-id_65355882	287.34	BJXAANDHMAIERX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049048
s1c2CCCc2c(c1NC(=O)c1n[nH]c(c1N)C)C#N	PC-id_62082994	287.34	DDLVKMSYAZWOHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049049
s1c2CCCc2c(c1NC(=O)Cn1ncc(N)c1)C#N	PC-id_61117147	287.34	TVFALSVUDXLPFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049050
s1c2CCCc2c(c1NC(=O)Cn1nc(N)cc1)C#N	PC-id_62113552	287.34	HEODWKYXEDCOHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049051
s1c(NC(=O)c2n3CCCc3nn2)c(c(c1C)C)C#N	PC-id_43981413	287.34	NRWUHRWHCFZOGW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-049052
c1(cn(nn1)Cc1cn2c(SCC2)n1)c1nccn1C	PC-id_72886472,ZINC22_91644808,MCULE-7090815058,EMOLS-id_46060357	287.344	HZVAEGKHZDEYEQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049053
COC1CC=CC(=C1)CC1CCc2c1[nH]c(c2)C(=O)OC	PC-id_70805971,SCHEMBL12951930	287.354	PPCSTXRLBWTRPS-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-049054
FC1CCC(C1)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319486069	287.354	RNLQGLKVHSXECS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049055
o1c2c(CCC2)c(C(N)c2ccc(OC)cc2)c1COC	PC-id_83610077	287.354	BEXMXEWTPFTMOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049056
o1c2c(CCC2)c(C(N)c2cc(OC)c(OC)cc2)c1C	PC-id_83610152	287.354	JQGMLADLBUZFRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049057
o1c2c(CCC2)c(C(N)c2c(OC)ccc(OC)c2)c1C	PC-id_83610153	287.354	BTEMHUUVGKSAQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049058
o1c2c(CCC2)c(C(N)c2c(OC)cc(OC)cc2)c1C	PC-id_83610151	287.354	XATOJNKFZWOVKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049059
C=CCS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_261751646,PC-id_79672579	287.355	ORYBOZBSGRTODV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049060
CCNC(=O)C1(CC=O)Cc2c(S1(=O)=O)scc2	PC-id_19759878,SCHEMBL9459314	287.355	DNFCQBLCQVRRBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049061
N#Cc1ccc(c(c1)CNCc1sc2c(n1)CCC2)F	EMOLS-id_318600410,MCULE-1486365618	287.355	AOKLGOZZKKULOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049062
N#Cc1ccc(cc1F)CNCc1sc2c(n1)CCC2	EMOLS-id_318383816,MCULE-8702712866	287.355	BAVVNQYTBIFALR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049063
N#Cc1ccc(c(c1)F)CNCc1sc2c(n1)CCC2	EMOLS-id_318561335,MCULE-3180597719	287.355	PMPSZDOSSPVJRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049064
N#Cc1ccc(c(c1)F)NCCc1sc2c(n1)CCC2	MCULE-6569245220,EMOLS-id_318652731	287.355	PKXWNQJJQVTQPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049065
N#Cc1cc(F)ccc1NCCc1sc2c(n1)CCC2	EMOLS-id_318445398,MCULE-1846251024	287.355	SKLLYOZUVXHMJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049066
N#Cc1c(NCCc2sc3c(n2)CCC3)cccc1F	MCULE-1524857298,EMOLS-id_318759072	287.355	ODRCFBGWNBBOMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049067
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)C1CC1	EMOLS-id_314630295,PC-id_64552188	287.355	ZAJVUDZECLZVFH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-049068
c1(C(=O)N(CCCC)Cc2ccco2)c2CCCc2[nH]n1	EMOLS-id_31619483,ZINC22_55326788,PC-id_46994813,MCULE-5716703705	287.357	IVARUJZLZJRYNF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049069
C=CCCC(=O)C1CCCN1C(=O)c1cn2c(n1)CCC2	EMOLS-id_316600909	287.357	XHKCTZNBBBURFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049070
C=CCCC(=O)C1CCCN1C(=O)c1cnc2n1CCC2	EMOLS-id_258090499,MCULE-3024744815	287.357	LCIDRISBUNEVEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049071
C=CCCC(=O)C1CCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_316602444	287.357	NFZFYZOXGBZNOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049072
CCCn1nc(c(c1)CNC(=O)c1occ2c1CCC2)C	EMOLS-id_318832248	287.357	AHTYUCGTEOHYGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049073
CCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109311	287.357	XKCJKAZJVPUXTK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049074
CCOCc1n[nH]c2c1CN(Cc1cccc(OC)c1)C2	EMOLS-id_313727186,ZINC22_2055713664	287.357	TWDAIFIYODBNIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049075
COc1cccc([C@H](CO)NCc2cnn3c2CCC3)c1	ZINC22_657374187	287.357	GRNUXMVATHFSJA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049076
COc1cccc([C@@H](CO)NCc2cnn3c2CCC3)c1	ZINC22_657374188	287.357	GRNUXMVATHFSJA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049077
COc1ccc(Cn2nc3CCC(C)c3c2N)cc1OC	MCULE-7915242443,EMOLS-id_331011235	287.357	IOWDNHBMBSWHLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049078
COc1ccc(Cn2nc3CCC(C)c3c2N)c(OC)c1	EMOLS-id_331011491,MCULE-1993539738	287.357	UWGUFIQYYGKQPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049079
COc1ccc(Cn2nc(N)c3C(C)CCc23)cc1OC	EMOLS-id_330962166,MCULE-1429449570	287.357	FOISLOLIUUFUDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049080
COc1ccc(Cn2nc(N)c3C(C)CCc23)c(OC)c1	EMOLS-id_330962422,MCULE-7701234227	287.357	NTYZWNUERKEURQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049081
COc1cc(NC2CC(n3c2ncc3)C)cc(c1C)OC	EMOLS-id_317995348,MCULE-4385743814	287.357	LGGFEUZYDSTQKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049082
O=C(c1cc(oc1C)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319543227	287.357	SNHZRQVUKBIUCE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049083
O=C(c1cc(oc1C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319011569	287.357	YCLZSZSAUIETMY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049084
OCC(c1cccc(c1)OC)NCc1cnn2c1CCC2	EMOLS-id_313191986,MCULE-1815932952	287.357	GRNUXMVATHFSJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049085
OCCN(c1ccccc1OC)Cc1cnc2n1CCC2	EMOLS-id_318156448	287.357	FQJQDOOPUWNAIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049086
C1CCC(CC1)c1nnc(o1)NCc1cnc2n1CCC2	EMOLS-id_318113305,MCULE-8441479492	287.36	CVODBJBLAWBFAS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-049087
c1(C(=O)Nc2c(C)nn(C(C)C)c2C)c2CCCc2n[nH]1	ZINC22_95476018,PC-id_71704833,MCULE-7818345274,STOCK7S-38502,EMOLS-id_49405343,EMOLS-id_44757015	287.36	AWVUFZHSUFDPST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049088
c1(C(=O)NCc2c3CCCc3nn2C)c(C)n(C)nc1C	MCULE-9326035043,ZINC22_225818117,PC-id_91819393,EMOLS-id_53884655	287.36	FPWYEOZTAGXUCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049089
Cc1cc(C(=O)N[C@@H]2C[C@H](C)n3ccnc23)nn1C(C)C	ZINC22_333978663	287.36	ZUVOLWMEHUKZQJ-CMPLNLGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049090
Cc1cc(C(=O)N[C@H]2C[C@H](C)n3ccnc23)nn1C(C)C	ZINC22_333978664	287.36	ZUVOLWMEHUKZQJ-JQWIXIFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049091
Cc1cc(C(=O)N[C@H]2C[C@@H](C)n3ccnc23)nn1C(C)C	ZINC22_333978665	287.36	ZUVOLWMEHUKZQJ-PWSUYJOCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049092
Cc1cc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)nn1C(C)C	ZINC22_333978666	287.36	ZUVOLWMEHUKZQJ-ZYHUDNBSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049093
Cc1c(c(=O)n2n1CCC2)Nc1c(cc(cc1)N(C)C)N	PC-id_91221626	287.36	NGROJFRGUHBKJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049094
Cc1ncn(c1)C(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_320104675,MCULE-5555729391	287.36	FFMDTTSTBWYPBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049095
Cc1ncn(c1)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_318902843	287.36	LUVDTVAUYQVPTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049096
Cc1onc(n1)C1(CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318134187,MCULE-4258755257	287.36	SBDBJPAVKYHKFH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049097
CC(c1cnn(c1)C(C)C)NC(=O)c1nn2c(c1)CCC2	MCULE-8698196743,EMOLS-id_316914516	287.36	ZJVUSHKXTCMTDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049098
CCc1nccn1CCNC(=O)c1n(C)nc2c1CCC2	EMOLS-id_320324448,MCULE-3157185327	287.36	JAHKAPJUQQIIDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049099
CCC(c1cccc(n1)OC)NCc1nnc2n1CCC2	EMOLS-id_320270511,MCULE-6558637016	287.36	QNPQKQOEWGWFPJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049100
CCCc1n(C)ncc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318945998	287.36	LKPBDVFTWWYGKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049101
CCCc1n(C)ncc1C(=O)NCc1n[nH]c2c1CCC2	MCULE-7644984905,EMOLS-id_319828464	287.36	GHMQCLDVCIHQPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049102
CC(Cc1nn(c(c1)NC(=O)c1nn2c(c1)CCC2)C)C	EMOLS-id_318402529	287.36	LRWHKLDNPSEFTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049103
CC(Cc1n[nH]c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319149024	287.36	KAUNMNISZOKNJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049104
CC(Cc1n[nH]c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320239823,MCULE-3812940807	287.36	OIPHEZJJYRSEHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049105
CC(C)C(c1cn(nc1)C)NC(=O)c1c2CCCn2nc1	MCULE-3590789940,PC-id_136566133,EMOLS-id_316986550	287.36	RFTOBSYZALIJKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049106
CC(CC(C(=O)N1Cc2c(C1)cnn2C)n1ccnc1)C	EMOLS-id_318217619	287.36	LAKQNTKYJOVBMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049107
CC(C)[C@@H](NC(=O)c1cnn2c1CCC2)c1cnn(C)c1	ZINC22_885420011	287.36	RFTOBSYZALIJKC-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049108
CC(CC(n1cncc1)C(=O)NC1CCn2c1ncc2)C	EMOLS-id_319261304	287.36	IOBULEDPPJQPAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049109
CC(C)n1cc([C@@H](C)NC(=O)c2cc3n(n2)CCC3)cn1	ZINC22_514992656	287.36	ZJVUSHKXTCMTDT-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049110
CC(C)n1cc([C@H](C)NC(=O)c2cc3n(n2)CCC3)cn1	ZINC22_514992657,PC-id_164638482	287.36	ZJVUSHKXTCMTDT-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-049111
CC(Cn1ccc(n1)C(=O)NCc1cnc2n1CCC2)C	MCULE-3408903975,EMOLS-id_320011966	287.36	RMCZHOXSPNIQBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049112
CCCn1ncc(c1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319385908	287.36	NIZQHGOTMFOUAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049113
CCCn1nc(c(c1)CNC(=O)c1cnn2c1CCC2)C	EMOLS-id_318918244	287.36	WEWMMNPGHZOMDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049114
CCCn1nc(c(c1)CNC(=O)c1n[nH]c2c1CCC2)C	MCULE-1129230545,EMOLS-id_319911960	287.36	MXMQTAYFZLLWNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049115
CCCn1nc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319828817	287.36	LTTBGWSNRSRCNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049116
CC(Cn1ncc(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319738290	287.36	CTCZZRIRVPYVBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049117
CCCOc1ccc(cn1)CNC1CC(n2c1ncn2)C	EMOLS-id_316575213	287.36	XJOHKWUEGVUWBI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049118
CCn1nc(c(c1C)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318832789	287.36	DJOGYYYAYQSRKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049119
CC(Oc1ccc(cn1)CNC1CC(n2c1ncn2)C)C	EMOLS-id_319572405	287.36	CQMBKFNRELRSDA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049120
Cn1cc(CN2Cc3[nH]nc(COCC4CC4)c3C2)cn1	ZINC22_96260219,EMOLS-id_44371984,PC-id_97520297	287.36	XRLLMRAPGKWIJU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049121
Cn1ncc(c1)CC(C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319473598	287.36	HAGWKHFBXGTODD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049122
Cn1nc(c(c1)C(=O)NC1CC(n2c1ncc2)C)C(C)C	EMOLS-id_102240711	287.36	NGYZDRWNFZSODH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049123
Cn1nc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C(C)C	EMOLS-id_319583174	287.36	AAQOAFUSGLHIDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049124
Cn1nc(Cn2ccnc2)c2c1CN(C[C@@H]1CCOC1)C2	PC-id_97410141,ZINC22_96090994	287.36	RKVBQFCJPUCLDL-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049125
Cn1nc(Cn2ccnc2)c2c1CN(C[C@H]1CCOC1)C2	ZINC22_96090995,PC-id_97410142	287.36	RKVBQFCJPUCLDL-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049126
Cn1nc(Cn2ccnc2)c2CN(CC3CCOC3)Cc12	EMOLS-id_46189352	287.36	RKVBQFCJPUCLDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049127
CN(C1C=C/C(=Nc2c(=O)n3n(c2C)CCC3)/C(=C1)N)C	SCHEMBL13680092,PC-id_57831914	287.36	ACRRRDZFXOBZTG-GHRIWEEISA-N	00000010100011000001000010000000000000000000000000000000	25-01-049128
COC1CN(C(C1)c1ncc[nH]1)Cc1cnn2c1CCC2	EMOLS-id_318864103	287.36	GRMWPVHEYYJXHY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049129
COC1CN(C(C1)c1ncc[nH]1)Cc1nn2c(c1)CCC2	EMOLS-id_319621554	287.36	PYBWQKMYELOISY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049130
O=C(c1cc(nn1C)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_320091354,MCULE-9738374032	287.36	RGULZKXMBDJOGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049131
O=C(c1c[nH]nc1C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101551337	287.36	QOADDIKRPOHHPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049132
O=C(c1c[nH]nc1C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319964941,MCULE-2746545816	287.36	AQWJJASQJYDYPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049133
O=C(c1cnn(c1)C(C)(C)C)NCc1cnc2n1CCC2	MCULE-4382377706,EMOLS-id_320276300	287.36	ZPRNHANIZMGPDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049134
O=C(c1cnn(c1C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319081103	287.36	BKVIWGISTHOGFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049135
O=C(c1cnn(c1)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320152538,MCULE-3189688867	287.36	MJEHFCSPZXMIJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049136
O=C(c1n(C)nc2c1CCC2)N1CCC(CC1)C1(C)N=N1	EMOLS-id_318787418	287.36	XRGBZKHZVATBQV-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-049137
O=C(c1n(C)nc2c1CCC2)N1CCCC(C1)C1(C)N=N1	EMOLS-id_319916031,MCULE-8678586161	287.36	ZYRLTMFNJDMRPE-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-049138
O=C(c1[nH]cnc1C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319820770,MCULE-2233788595	287.36	DEFUPPIMOAOAQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049139
O=C(c1[nH]nc(c1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318984321	287.36	SFSKZMUMTGSAPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049140
O=C(c1nn(c(c1)C)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101551325,MCULE-8608923414	287.36	ZUVOLWMEHUKZQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049141
O=C(c1nn(c(c1)C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319576836	287.36	IDGGQOHAVGFRDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049142
O=C(c1nn(c(c1)C(C)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320155621,MCULE-9354803096	287.36	REOMFZTZTTUXLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049143
O=C(CC(c1cnn(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319337012	287.36	XWVZXEHGFPPCSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049144
O=C(C(Cn1ccc(n1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319842225,MCULE-6953658396	287.36	BJNYAXGOFSHGPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049145
O=C(C(Cn1ccc(n1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318872013	287.36	HEPOGFSZVSLIRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049146
O=C(CCn1nc(cc1C)C)NCc1cnc2n1CCC2	EMOLS-id_319183236	287.36	NQFJPYKDLRGKBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049147
O=C(Cn1ccnc1C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318833572	287.36	ORLCAVHHEBGHBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049148
OCCn1ncc2c1CN(C2)Cc1ccc(nc1)N(C)C	PC-id_77079376	287.36	IBKJBVDGTQXGPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049149
O=C(NC1CC(n2c1ncc2)C)Cc1ccn(n1)C(C)C	EMOLS-id_279122222	287.36	QLHLSBPWPVZMEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049150
O=C(Nc1n(C)nc2c1CCC2)Cn1ccnc1C(C)C	EMOLS-id_316629927	287.36	DEPXZHRFGQFORQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049151
O=C(NCc1cnc2n1CCC2)CCc1cnn(c1C)C	EMOLS-id_319125051	287.36	XNIFQZXYUKTCNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049152
O=C(NCc1cnc2n1CCC2)CCc1cn(nc1C)C	EMOLS-id_319852685,MCULE-7011885269	287.36	NIHBIMIEZBKDOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049153
O=C(NCc1n[nH]c2c1CCC2)CCc1cn(nc1C)C	EMOLS-id_318866618	287.36	WDNLEEBCOCXFTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049154
C1CCC(C1)NCc1nnn(c1)CC1CCc2n1ncn2	EMOLS-id_324059261,MCULE-5335636159,PC-id_146108929	287.363	DKPJMGFFFUBORB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049155
c1nc2n(n1)[C@@H](Cn1cc(CNC3CCCC3)nn1)CC2	ZINC22_641186110	287.363	DKPJMGFFFUBORB-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049156
c1nc2n(n1)[C@H](Cn1cc(CNC3CCCC3)nn1)CC2	ZINC22_641186111	287.363	DKPJMGFFFUBORB-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049157
CN=C(NCc1nnc2n1CCC2)NCCn1cccc1	PC-id_109531516	287.363	GCWARSJSWRLKKO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-049158
Fc1ccc(C(N)c2c3c(oc2C(C)(C)C)CCC3)cc1	PC-id_83610515	287.372	LGLJEQBBQWMOSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049159
CC(c1ccc(c(c1)C)F)NC(c1nn2c(c1)CCC2)C	MCULE-2864056275,EMOLS-id_318020933	287.375	CSTJLNWLPHAGMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049160
CC(c1ccc(c(c1)F)C)NC(c1nn2c(c1)CCC2)C	MCULE-2102992205,EMOLS-id_318368329	287.375	FVTDEOPFHFHWIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049161
CC(c1cc(C)c(c(c1)C)F)NC1CC(n2c1ncc2)C	EMOLS-id_318165728,MCULE-5237552841	287.375	PUOIRVGBMKKZIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049162
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1CN	EMOLS-id_330998962,MCULE-9660279006	287.375	WXIUYODRNWZYRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049163
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1CN	MCULE-1720653786,EMOLS-id_330999474	287.375	LEXWESVFTUNAPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049164
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1CN	MCULE-7912632084,EMOLS-id_330995647	287.375	ZEUGYGHITGRJPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049165
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1CN	MCULE-8797111313,EMOLS-id_330999987	287.375	KQMBGKVTNWCMAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049166
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1CN	EMOLS-id_330995391,MCULE-7593463026	287.375	RQKPYXQBKKCOBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049167
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1CN	EMOLS-id_330999218,MCULE-2798757345	287.375	KQBHKLFRQPRLAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049168
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1CN	MCULE-8913856181,EMOLS-id_330999985	287.375	ADSWABCRDIGBBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049169
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1CN	MCULE-9893209939,EMOLS-id_331000241	287.375	IXSKZPWZSQJQBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049170
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1CN	EMOLS-id_330999731,MCULE-3328906587	287.375	FRWQASVVOUBHAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049171
C/C=CC(=C/C)C1CC(c2n1nc(n2)CC12CC(C1)C2)F	SCHEMBL20910023,PC-id_138553911	287.375	LQWOTOHVMBYGEM-BVEFSZSYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-049172
C=C/C=CC=C(C1CC(c2n1nc(n2)C(C)(C)C)F)/C=C	PC-id_138515736,SCHEMBL20867519	287.375	JVRRBTIKBUPIPL-LVQHWDRTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049173
C=C/C=CC=C([C@@H]1C[C@@H](c2n1nc(n2)C(C)(C)C)F)/C=C	SCHEMBL20967751,PC-id_138605515	287.375	JVRRBTIKBUPIPL-MGRDULBVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049174
Fc1ccc(cc1)C(C(C)(C)C)NC1CCn2c1ncc2	MCULE-3539311267,EMOLS-id_318188182	287.375	QWHXKVYWTQXAIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049175
Fc1ccc(cc1)C(CNC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318195308,MCULE-6169030704	287.375	GZMHLQDZBUPXMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049176
Fc1cccc(c1)C(CNC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318208425,MCULE-9178222048	287.375	FDOBEXNSBSXZOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049177
Fc1ccccc1C(CNC1CC(n2c1ncc2)C)(C)C	MCULE-4646383540,EMOLS-id_318191275	287.375	JTWOSOUAUVBFLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049178
C1C(C(c2c1scc2)NC(=O)CCc1ccccc1)O	PC-id_90911763	287.377	BNUBCDWIMGZSRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049179
c1(C(=O)c2ccc(cc2)OCC)c2CCCc2sc1N	MCULE-4305708374,PC-id_28337441	287.377	JGPKAOZJYCYVND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049180
CCCOc1cncc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_115794154	287.377	ROXYJHKJICSRGW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049181
CCN(C(=O)c1sc2c(c1)CCC2)c1cccc(c1)O	PC-id_107736428	287.377	MEBQZDFWBQCPGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049182
CCOc1ccccc1NC(=O)c1cc2c(s1)CCC2	PC-id_8407422,MCULE-5270479749,CoCoCo_3190831,ZINC22_7310517,EMOLS-id_24060856	287.377	ZKMAKFXZVYHEQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049183
CCOc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	ZINC22_490435010,MCULE-7987539225,EMOLS-id_177209046	287.377	RMSMNLXKXTVOKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049184
CCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	MCULE-2754580389,EMOLS-id_16783295,CoCoCo_3246036,ZINC22_12758015,PC-id_17535853	287.377	GAJHMKKHYFDTLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049185
CC(Oc1cncc(c1)C(=O)c1sc2c(c1)CCC2)C	PC-id_115794686	287.377	MJTFSKAKSSDMJF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049186
CCOC(=O)C1CCc2c1nc(s2)Cc1ccccc1	PC-id_104287167	287.377	XZGOKPGJKZKIMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049187
COc1ccc(cc1)CC(=O)c1c(N)sc2c1CCC2	SCHEMBL134641,PC-id_66603512	287.377	CSQICVNPSLGKRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049188
COc1cccc(c1)CNc1sc2c(c1C=O)CCC2	PC-id_143034505	287.377	LBTYGDMQBPJURV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049189
COc1ccccc1N(C)C(=O)c1cc2c(s1)CCC2	ZINC22_58411482,EMOLS-id_33357003,PC-id_51121530,MCULE-1537301114	287.377	CUQIZTRPORNCTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049190
COc1ccc(C)cc1NC(=O)c1cc2c(s1)CCC2	MCULE-8894208515,EMOLS-id_3013901,CK2062193,CoCoCo_3367428,ChEMBL-DNDi_CHEMBL1348920,CHEMBL1348920,ZINC22_3256755,PC-id_2373396	287.377	HMVYQZGBIRVSTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049191
COc1cccc(CNC(=O)c2cc3c(s2)CCC3)c1	MCULE-5438557255,ZINC22_3354562,EMOLS-id_3352205,PC-id_2471764,CoCoCo_3303551	287.377	YPWFMZAWYVIBBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049192
COc1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_3362919,EMOLS-id_17170582,ZINC22_12776987,MCULE-6407108225,PC-id_24235292	287.377	AXLYGDZLPZPHMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049193
COCc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	MCULE-3150323807,EMOLS-id_276244999,ZINC22_25823206	287.377	RSZBJTXNVYGGNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049194
O=C(c1cc2c(s1)CCC2)N(Cc1ccco1)C1CC1	EMOLS-id_31890233,ZINC22_40060351,MCULE-3836289871,PC-id_45872017	287.377	MRMMUIITWQRJIC-UHFFFAOYSA-N	00100010101000000000000010000000000000000000000000000000	25-01-049195
OCc1ccc(cc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_107231923	287.377	DSSKSMIGUSGQDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049196
OCc1ccc(c(c1)NC(=O)c1sc2c(c1)CCC2)C	PC-id_112345182	287.377	BGTVZABRUQQYMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049197
O=C(c1sc2c(c1)CCC2)Nc1cc(C)c(cc1C)O	PC-id_106834817	287.377	UEYVUIBTUZDYBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049198
OC[C@@H](c1ccccc1)NC(=O)c1sc2c(c1)CCC2	PC-id_103772800	287.377	BENDBTSTZSWDKM-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049199
OC[C@H](c1ccccc1)NC(=O)c1sc2c(c1)CCC2	PC-id_103945024	287.377	BENDBTSTZSWDKM-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049200
O=C(Nc1cccc(CCO)c1)c1cc2c(s1)CCC2	MCULE-7073003195,ZINC22_313128463,EMOLS-id_276232845	287.377	MHROHTGHFIIONW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049201
OC(=O)C1CCc2c1nc(s2)Cc1ccc(c(c1)C)C	PC-id_104287338	287.377	SLQPALUWVOHYJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049202
OC(=O)C1CCc2c1nc(s2)C(c1ccccc1)(C)C	PC-id_104287371	287.377	KUYMURVWNQINDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049203
OC(=O)C1CCc2c1nc(s2)Cc1cc(C)cc(c1)C	PC-id_104287324	287.377	ULFASMODPLZBIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049204
OC(=O)c1cccc(c1)CNCc1sc2c(c1)CCC2	PC-id_103242942	287.377	QQAIIMXKERSKEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049205
OC(=O)c1ccccc1CNCc1sc2c(c1)CCC2	PC-id_103242957	287.377	VUSHHKBOYATDKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049206
OC(=O)C(c1ccccc1)NCc1sc2c(c1)CCC2	PC-id_103242941	287.377	QEZHIMGTFPCEBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049207
s1c2CCCc2cc1CNCc1ccc(cc1)C(=O)O	PC-id_62218139	287.377	QBYSQVNRYOFZDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049208
s1c2CCCc2cc1C(=O)Nc1ccc(CCO)cc1	PC-id_61223038	287.377	GJRWUARIDWJOCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049209
s1c2CCCc2cc1C(=O)Nc1c(C(O)C)cccc1	PC-id_61510143	287.377	CFRODLHYQZRZHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049210
s1c2CCCc2cc1C(=O)NC(c1ccccc1)CO	PC-id_63184815	287.377	BENDBTSTZSWDKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049211
s1c2CCCc2cc1C(=O)NCc1cc(ccc1)CO	PC-id_63311044	287.377	MYUILOCVVVHJBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049212
s1c2CCCc2cc1C(=O)N(Cc1ccc(O)cc1)C	PC-id_61043991	287.377	VGCKUQXIDCDURL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049213
s1c2CCCc2cc1C(=O)NCc1c(OC)cccc1	PC-id_8402557	287.377	QMUPUSCKPOOSGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049214
s1c2CCCc2cc1C(=O)NCCc1ccc(O)cc1	PC-id_61018574	287.377	HJUOUIVHIVYODD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049215
s1c2CCCc2cc1C(=O)NCCOc1ccccc1	PC-id_33249650	287.377	WREYEJOTKIILNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049216
s1c2CCCc2cc1C(=O)NCC(O)c1ccccc1	PC-id_43391320	287.377	TZSKEHUWMAZASR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049217
s1c2[C@H](NC(=O)c3c(cccc3C)C)[C@H](O)Cc2cc1	PC-id_11380661	287.377	RMCQZXXPJAJOBS-TZMCWYRMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049218
s1c2CN(Cc2cc1C(=O)CO)Cc1ccc(cc1)C	PC-id_58157810	287.377	SFRJMRYVBFRWTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049219
s1c2C(NC(=O)c3c(cccc3C)C)C(O)Cc2cc1	PC-id_72824669	287.377	RMCQZXXPJAJOBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049220
s1c2C(OC(c2nc1C(=O)c1ccccc1)(C)C)(C)C	PC-id_79928543	287.377	KHXFESAJFHGWKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049221
COC(CS(=O)(=O)N1Cc2c(C1)cn[nH]2)CC(C)C	EMOLS-id_316408845,MCULE-4023854183	287.378	SGKPQLDVSFFGRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049222
COCC(S(=O)(=O)NC1CC(n2c1ncc2)C)CC	EMOLS-id_319703760	287.378	VBPMELAWVJTOPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049223
C1Cc2c(C1)sc(c2)CNc1cc(=O)[nH]c(n1)C1CC1	PC-id_136974581	287.38	JJAHFFFDEDRFFD-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-049224
c1(cc2c(CCC2)s1)C(=O)N1CCC(C1)c1ccn[nH]1	EMOLS-id_242539,BDE-32092024,MCULE-5116382352,PC-id_110106020	287.38	AVIYPJYHLJOBBU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049225
c1(C(=O)NCCSc2ccccc2)c2CCCc2[nH]n1	MCULE-7715943365,EMOLS-id_323253694	287.38	BRSDCZGXYLKXDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049226
c1(NC(=O)c2ccccc2SC)n(C)nc2CCCc12	PC-id_30859129,CoCoCo_5273022,MCULE-5228325646,EMOLS-id_24910414,ZINC22_23135692	287.38	RBUNRJLQTYCGPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049227
c1(NC(=O)c2ccc(c(C)c2)C)n(C)nc2CSCc12	EMOLS-id_334568626,MCULE-3931084836	287.38	JDTFNGVCXZLKOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049228
c1(NC(=O)c2cccc(SC)c2)n(C)nc2CCCc12	CoCoCo_5273023,ZINC22_23135695,EMOLS-id_24910416,PC-id_30859131,MCULE-6493659507	287.38	NJUHMNFCHBJZFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049229
c1(NC(=O)Cc2ccc(cc2)C)n(C)nc2CSCc12	EMOLS-id_334565042,MCULE-4521735094	287.38	ALFMZXDNLHJFBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049230
c1(NC(=O)CCc2ccccc2)n(C)nc2CSCc12	MCULE-1507353594,EMOLS-id_36794607,PC-id_60174507,STOCK7S-25689,ZINC22_72401903	287.38	XNQFOQJWAJEJKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049231
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)N(C)C	PC-id_33039704,EMOLS-id_334660314,MCULE-4677542443	287.38	CPWXUICRMLMLEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049232
Cc1ccc(cc1)C(C(=O)Nc1sc2c(n1)CCC2)N	PC-id_106151203	287.38	KGVJSEWDGGJTKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049233
Cc1ccnc(c1)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318856016	287.38	HFMJQOQLXQKPGE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049234
Cn1ccc(n1)[C@@H]1C[C@H]1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319523936	287.38	FHJWGYYVESWYPC-CMPLNLGQSA-N	00100010100000000001100010000000000000000000000000000000	25-01-049235
Cn1nc2c(c1NC(=O)c1cc3c(s1)CCC3)CCC2	ZINC22_58414871,EMOLS-id_33316475,PC-id_51096621,MCULE-9746906270	287.38	LKDXHOWXOLIHBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049236
CNc1ccc(c(c1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_104330429	287.38	JDMIBBGZXIAOGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049237
CNc1sc2c(c1C(=O)Nc1cncc(c1)C)CCC2	PC-id_142393447	287.38	FHEJCSMRAHAXEH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049238
CN(C)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	CoCoCo_4164060,MCULE-6625013108,EMOLS-id_17194186,PC-id_24242368,ZINC22_15636424	287.38	LCGROOBZNZBULT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049239
CSCc1cccc(NC(=O)c2cnc3n2CCC3)c1	ZINC22_597198854	287.38	IREDLBKDWXWROO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049240
Nc1cccc(c1)C(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_106591252	287.38	DGFULWIKNLZBDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049241
NCc1ccnc(c1)N(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_317971053,MCULE-2579343864	287.38	JXABULOOBNQNKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049242
NCc1nccc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_114326250	287.38	YQTBUGSLMPPCAN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049243
O(c1c(cc(C[NH2+]C(c2n3CCCc3nn2)C)cc1)C)C	PC-id_75694746	287.38	LWJDLQHIIBRVND-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-049244
O(c1c(cc(C[NH2+][C@H](c2n3CCCc3nn2)C)cc1)C)C	PC-id_51683306	287.38	LWJDLQHIIBRVND-LBPRGKRZSA-O	00000010100000110001000010000000000000000000000000000000	25-01-049245
O(c1c(cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc1)C)C	PC-id_51683308	287.38	LWJDLQHIIBRVND-GFCCVEGCSA-O	00000010100000110001000010000000000000000000000000000000	25-01-049246
O(c1c(C[NH2+]C(c2n3CCCc3nn2)C)cc(cc1)C)C	PC-id_75739678	287.38	UQHJZSMHKHYSLB-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-049247
O(c1c(C[NH2+][C@H](c2n3CCCc3nn2)C)cc(cc1)C)C	PC-id_51886352	287.38	UQHJZSMHKHYSLB-LBPRGKRZSA-O	00000010100000110001000010000000000000000000000000000000	25-01-049248
O(c1c(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc(cc1)C)C	PC-id_51886354	287.38	UQHJZSMHKHYSLB-GFCCVEGCSA-O	00000010100000110001000010000000000000000000000000000000	25-01-049249
O=C(c1cc2c(s1)CCC2)N1CC[C@@H](c2ccn[nH]2)C1	ZINC22_257204589	287.38	AVIYPJYHLJOBBU-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049250
O=C(c1cc2c(s1)CCC2)N1CC[C@H](c2ccn[nH]2)C1	ZINC22_257204590	287.38	AVIYPJYHLJOBBU-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-049251
O=C(c1cc(N)c(cc1C)C)Nc1sc2c(n1)CCC2	PC-id_102705389	287.38	GIUSXRXOFCXMCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049252
O=C(c1n[nH]c2c1CCC2)N(C1CC1)Cc1cscc1	EMOLS-id_318660191	287.38	MYPYDMSDJLHBIL-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-049253
O=C(c1n[nH]c2c1CCC2)NC(c1cccs1)C1CC1	EMOLS-id_98331981	287.38	PINRSIYDOJRXMH-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-049254
O=C(c1sc2c(c1)CCC2)NCc1cnc2n1CCC2	EMOLS-id_319887027,MCULE-3205814073	287.38	ZAZFVQFQBOUQAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049255
O=C(c1sc2c(c1)CCC2)NCc1n[nH]c2c1CCC2	EMOLS-id_318989838	287.38	OQSOCHQLBXCBDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049256
O=C(c1sc2c(c1)CCC2)N[C@@H](c1nccnc1C)C	EMOLS-id_319026340	287.38	PUCJCVSKJUYYJD-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049257
O=C(c1sccc1C1CC1)NCc1cnc2n1CCC2	EMOLS-id_318785510	287.38	AMQKTZZFSVFXMH-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-049258
O=C(c1sccc1C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318822636	287.38	CMBNJQMGIIUCDL-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-049259
O=C(Cc1ccc(cn1)N)NCc1sc2c(c1)CCC2	PC-id_107338240	287.38	GFVRDTANNOLMDB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049260
O=C(Cc1ccncc1C)NCc1sc2c(n1)CCC2	EMOLS-id_318448302	287.38	WPQMTZVQXQHKCY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049261
O=C([C@@H]1C[C@H]1c1cscc1)NCc1cnc2n1CCC2	EMOLS-id_320249882,MCULE-7258175469	287.38	SCMIAOIDEYESHH-QWHCGFSZSA-N	00100010100100000001100010000000000000000000000000000000	25-01-049262
O=C(Nc1ccnn1CC1CC1)c1cc2c(s1)CCC2	ZINC22_89885089,PC-id_71916602,MCULE-2586427282,EMOLS-id_45675385	287.38	MIFWQFFEAISDOD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049263
O=C(Nc1sc2c(n1)CCC2)CCc1ccccc1N	PC-id_107273034	287.38	JLAGAOYVBAOAPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049264
O=Nc1sc(c2c1N(C)CC2)Nc1ccc(cc1C)C	PC-id_122233835	287.38	GUTVPCKAWRHEHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049265
O=Nc1sc(c2c1N(C)CC2)Nc1c(C)cccc1C	PC-id_122233836	287.38	LSFQBSGFEMNIOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049266
s1c2CCCc2cc1CNc1cc(ncc1)C(=O)NC	PC-id_61208373	287.38	DHCMFZMEFUBIBZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049267
s1c2c(CCC2)cc1CNc1nccn(C2CC2)c1=O	PC-id_62939713	287.38	HBXSCVYTJJCAKX-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-049268
s1c2CCCc2cc1CNC(=O)c1cc(N)cc(N)c1	PC-id_61206824	287.38	JBGBCVVANRCVHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049269
s1c2CCCc2cc1CNC(=O)c1c(ncc(N)c1)C	PC-id_61206634	287.38	SSXXPJYZXFDBDO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049270
s1c2CCCc2cc1CNC(=O)c1c(N)cc(N)cc1	PC-id_61206823	287.38	LWRQVGJGROIKQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049271
s1c2CCCc2nc1NC(=O)c1ccc(CCN)cc1	PC-id_64233101	287.38	UNPNJMAQKPELHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049272
s1c2CCCc2nc1NC(=O)c1cc(c(NC)cc1)C	PC-id_63213860	287.38	YMVOYAGMQFCHLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049273
s1c2CCCc2nc1NC(=O)c1ccc(NCC)cc1	PC-id_62176681	287.38	QUEFYIQVNVZDLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049274
s1c2CCCc2nc1NC(=O)c1c(CCN)cccc1	PC-id_64233100	287.38	VFNYRLBPHCDQOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049275
s1c2CCCc2nc1NC(=O)c1c(NC)ccc(c1)C	PC-id_62508728	287.38	ZGBZPDQKWFPEKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049276
s1c2CCCc2nc1NC(=O)c1c(NC)cc(cc1)C	PC-id_80271667	287.38	HHNLYKOOMZZLSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049277
s1c2CCCc2nc1NC(=O)c1c(NCC)cccc1	PC-id_62176858	287.38	XEJDQRNDXXGHQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049278
s1c2CCCc2nc1NC(=O)C(c1ccccc1)CN	PC-id_62878198	287.38	SXFOHQARXJLOGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049279
s1c2CCCc2nc1NC(=O)Cc1c(CN)cccc1	PC-id_81321722	287.38	BEOTXZDFELBXRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049280
s1c2CCCc2nc1NC(=O)CCc1ccc(N)cc1	PC-id_61507779	287.38	HJBGNSJLUJDUTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049281
s1c2CCCc2nc1NC(=O)CCc1cc(N)ccc1	PC-id_80701654	287.38	DQAJPPWFUSCUTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049282
s1c2CCCc2nc1NC(=O)CC(N)c1ccccc1	PC-id_61511678	287.38	QZLZTFBRLMWZSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049283
s1c2CCCc2nc1NC(=O)[C@@H](N)Cc1ccccc1	PC-id_61511822	287.38	PHWOSXONFULTHH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-049284
s1c2CCCc2nc1NC(=O)[C@H](N)Cc1ccccc1	PC-id_78985708	287.38	PHWOSXONFULTHH-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049285
s1c2CCCc2nc1NC(=O)C(N)(c1ccccc1)C	PC-id_62488084	287.38	FOFYDLDNUJFUBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049286
s1c2CCCc2nc1NC(=O)C(N)Cc1ccccc1	PC-id_61512151	287.38	PHWOSXONFULTHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049287
S(c1ccc(CC(=O)Nc2n[nH]c3CCCc23)cc1)C	PC-id_9814461	287.38	UVDBXMMRFRLTMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049288
S(c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1)C	PC-id_45536339	287.38	YVZJRTHOXHUIIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049289
S(CC(=O)Nc1n(nc2c1CCC2)C)c1ccccc1	PC-id_45536325	287.38	SSWGJSSYGMTIAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049290
CCCN(S(=O)(=O)NC(c1nnc2n1CCC2)C)C	EMOLS-id_111578205	287.382	TZMZTSDORXRMMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049291
CCN(S(=O)(=O)NC(c1nnc2n1CCC2)C)CC	EMOLS-id_110758332	287.382	HVCNFABWQVIOIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049292
s1c2c(nc1NS(=O)(=O)c1sccc1)CNC2	PC-id_82194108	287.382	NRCCKIGZFAIMFE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-049293
S(=O)(=O)(c1cccs1)N1Cc2c(nc(N)s2)C1	PC-id_82194219,MCULE-3984215703	287.382	BSTRJYMIIVACBI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-049294
CCc1nn(c(c1C#N)NCc1sc2c(n1)CCC2)C	EMOLS-id_318694683,MCULE-7611655616	287.383	DZRMGOZTWCHDEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049295
NC(=NCCc1nc2n(c1)CCS2)Nc1ccccc1	PC-id_120363250	287.383	IPLUKODKNLPXFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049296
CC(CCNC(=O)c1sc2c(c1)CS(=O)(=O)C2)C	ChEMBL-DNDi_CHEMBLC771-0085,PC-id_6619926	287.398	XMKKZHYMCOFMQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049297
CC(C)(C)S(=O)NC1C(Cc2c1ccs2)C(=O)O	PC-id_90073199	287.398	LPVNXBOHSUDHGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049298
CC(CS(=O)(=O)NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_111744831	287.398	GWIOAOXGOOYHQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049299
CCC(S(=O)(=O)NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_111943072	287.398	PNOXWOHSBXPIRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049300
OC(=O)[C@@H]1Cc2c(C1NS(=O)C(C)(C)C)ccs2	SCHEMBL15610054	287.398	LPVNXBOHSUDHGY-MYXMLMDYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049301
OC(=O)[C@@H]1Cc2c(C1N[S@@](=O)C(C)(C)C)ccs2	SCHEMBL15610055	287.398	LPVNXBOHSUDHGY-VQOAQKHRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049302
OC(=O)[C@@H]1Cc2c([C@H]1NS(=O)C(C)(C)C)ccs2	PC-id_121482054,SCHEMBL17923303	287.398	LPVNXBOHSUDHGY-IOHIQLTNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049303
OC(=O)[C@@H]1Cc2c([C@H]1N[S@@](=O)C(C)(C)C)ccs2	PC-id_121482056,SCHEMBL17923305	287.398	LPVNXBOHSUDHGY-BNNCRPASSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049304
S1(=O)(=O)CC(NCc2sc3c(CCC3)c2)C(O)C1	PC-id_61208171	287.398	XVQTWZJNWUHGLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049305
c1(CN(C2CCCC2)C(=O)C2CC2)c2CCCc2n(C)n1	PC-id_86266569,EMOLS-id_50145308,MCULE-3527704989	287.4	TWGMVRHXVRHQSD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049306
CC(=CC1C(C1(C)C)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_44555947,MCULE-8810486437,PC-id_71883637	287.4	LBHYLOXTAISEIZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049307
CC(=CC1C(C1(C)C)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318953358	287.4	LJUNQLKHAQQBMS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049308
CC(=C[C@H]1[C@@H](C(=O)Nc2c3c(nn2C)CCC3)C1(C)C)C	PC-id_95163974,ZINC22_65856023	287.4	LBHYLOXTAISEIZ-JSGCOSHPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049309
CC(=C[C@@H]1[C@H](C(=O)Nc2c3c(nn2C)CCC3)C1(C)C)C	PC-id_97022074,ZINC22_84671072	287.4	LBHYLOXTAISEIZ-TZMCWYRMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049310
CC(=C[C@H]1[C@H](C(=O)Nc2c3c(nn2C)CCC3)C1(C)C)C	PC-id_97022075,ZINC22_84671074	287.4	LBHYLOXTAISEIZ-GXTWGEPZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049311
CC(=C[C@@H]1[C@@H](C(=O)Nc2c3c(nn2C)CCC3)C1(C)C)C	PC-id_97022076,ZINC22_84671075	287.4	LBHYLOXTAISEIZ-OCCSQVGLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049312
C/C=C/C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_110208281	287.4	WUJMGOGPZJDBLZ-XVNBXDOJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049313
CC=CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109738	287.4	WUJMGOGPZJDBLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049314
O=C(C1CC1C1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319231999	287.4	NVEQKMQONGJXOK-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-049315
O=C(C1(CC1)C1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319994312,MCULE-2643561332	287.4	RNZSRTMNNDUTEL-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-049316
O=C(C1CCCCC1C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319108792	287.4	RLOOWYXFTXWWIW-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-049317
O=C(c1cnn2c1CCC2)N1CCCC1C1CCCCC1	EMOLS-id_102786723	287.4	YAZCQUBVQYAPRG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-049318
O=C(C(C1CCC1)C1CCC1)NCc1cnc2n1CCC2	EMOLS-id_320197198,MCULE-7957811312	287.4	GBUYXRWYXVIBTA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-049319
O=C(C(C1CCC1)C1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318871707	287.4	KCNVKSGDFGQSSI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-049320
O=C(N1CCCC1C1CCCCC1)c1cc2n(n1)CCC2	EMOLS-id_102786726	287.4	FMGNYBBQINJNQE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-049321
O=C(N1CCCC1C1CCCCC1)c1nc2n(c1)CCC2	EMOLS-id_102942403	287.4	IQOREQRSQMPXJE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-049322
CC1(C)SCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97940345	287.402	LEHPQERDIJZWAU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-049323
CC1CSCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100229896	287.402	RIUDURXBADOXCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049324
CC1SCC(C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101969643	287.402	VHUXLXKDKNCONJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049325
CN(S(=O)(=O)c1cnc2n1CCC2)C1CSCC1	EMOLS-id_100213975	287.402	SOFYXEKCCDHGAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049326
CSC1(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100881246	287.402	TYVHVUAMDIQBGL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049327
O=S(=O)(c1cnc2n1CCC2)N1CCSCCC1	EMOLS-id_100175897	287.402	GLTLGSDMUAVHCG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-049328
O=S(=O)(c1cnc2n1CCC2)NC1CCCSC1	EMOLS-id_100231300	287.402	KBVOKFAKVSIYCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049329
O=S(=O)(c1cnc2n1CCC2)NCC1CSCC1	EMOLS-id_101246872	287.402	ZYHREAUGWYKKAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049330
O=S(=O)(Nc1sc2c(n1)CCC2)CCNC1CC1	PC-id_106053334	287.402	NFOUQUWUVSVXRL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049331
S(=O)(=O)(Nc1sc2CCCc2n1)C1CCCNC1	PC-id_61548778	287.402	PDFFSVMLOOBNEB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049332
S(=O)(=O)(Nc1sc2CCCc2n1)C1CCNCC1	PC-id_54972804	287.402	OSDBWOHTVFINRC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049333
S(=O)(=O)(Nc1sc2CCCc2n1)CC1NCCC1	PC-id_54972803	287.402	UPVSIBXGHOAIOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049334
CC1CC(c2n1ccn2)NC(C(C)(C)C)Cn1cncc1	MCULE-4521815690,EMOLS-id_318581737	287.403	SGRKDVBILGYZQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049335
Cc1nn(c(c1NCc1cnc2n1CCC2)C)C(C)(C)C	EMOLS-id_318643300,MCULE-9497335613	287.403	YCQOPQKUQLHOPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049336
CC(n1nc(c(c1C)CNC1CC(n2c1ncc2)C)C)C	EMOLS-id_318752418,MCULE-9515731778	287.403	VJHIVQJMKXZMHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049337
Cn1nc(c(c1)CNC1CC(n2c1ncc2)C)C(C)(C)C	MCULE-8789580125,EMOLS-id_317998748	287.403	GCQSFXKYGWIMBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049338
CSc1cccc(c1C#N)Nc1sc2c(n1)CCC2	PC-id_104194933	287.403	IPCMIMUATGBNAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049339
n12CCCc1nnc2C(NCc1c(n(c(c1)C)CC)C)C	PC-id_79612303	287.403	XLFLHLAKDLHKFT-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-049340
CC(Cc1ccc(cc1)O)NCc1sc2c(c1)CCC2	PC-id_115494262	287.42	ZDJCSQOSVCBKLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049341
CCCOc1ccccc1C(c1sc2c(c1)CCC2)N	PC-id_105035768	287.42	CRQHHZRQGIMXND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049342
CCCOc1ccc(cc1)C(c1sc2c(c1)CCC2)N	PC-id_115853290	287.42	MVRKKIDVDBIRDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049343
CCNC(c1ccccc1OC)c1sc2c(c1)CCC2	PC-id_115793381	287.42	PSKKLODEVJMHDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049344
CCNC(c1sc2c(c1)CCC2)c1cccc(c1)OC	PC-id_115785971	287.42	MLESQZPZVIQXOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049345
CC(Oc1ccccc1C(c1sc2c(c1)CCC2)N)C	PC-id_105018177	287.42	DNKQGXPSCGSCKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049346
CC(Oc1cccc(c1)C(c1sc2c(c1)CCC2)N)C	PC-id_105018964	287.42	ZGSKGSZZGYHMIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049347
CCOc1cccc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_105022141	287.42	GYABASSFSFDOPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049348
CCOc1ccccc1C(c1sc2c(c1)CCC2)NC	PC-id_115853539	287.42	PCFBBUABNFAPRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049349
COc1ccc(cc1CC(c1sc2c(c1)CCC2)N)C	PC-id_115826256	287.42	LQGOZIFJNRGOEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049350
COc1c(ccc(c1C)C)C(c1sc2c(c1)CCC2)N	PC-id_103435475	287.42	OERFGULZCBCHPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049351
COc1ccc(cc1)CCC(c1sc2c(c1)CCC2)N	PC-id_115864656	287.42	DLDUOYVFJGEPTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049352
COc1cc(C)cc(c1C(c1sc2c(c1)CCC2)N)C	PC-id_106682099	287.42	KFYBGILMKRXJIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049353
COc1cc(C)c(cc1C)C(c1sc2c(c1)CCC2)N	PC-id_105032753	287.42	PHVUGBXYGXVELL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049354
COCC(c1ccccc1)NCc1sc2c(c1)CCC2	PC-id_103464105	287.42	CLAWZTKKGOPYDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049355
s1c2c(CCC2)cc1C(N)c1ccc(cc1)CCOC	PC-id_43464364	287.42	YMYRIDISVZSONH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049356
s1c2c(CCC2)cc1C(N)c1cc(c(OC)c(c1)C)C	PC-id_83057576	287.42	JYDVWAYUZDILOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049357
s1c2c(CCC2)cc1C(N)c1ccc(OC(C)C)cc1	PC-id_43464523	287.42	MQMULMKBRMHANZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049358
s1c2c(CCC2)cc1C(N)c1c(OCC)ccc(c1)C	PC-id_62302819	287.42	TZKSEZAPCOANLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049359
s1c2CCCc2cc1CNCc1cc(ccc1)COC	PC-id_65592375	287.42	RFKPGHNEVFXZSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049360
s1c2CCCc2cc1CNCc1ccc(cc1)COC	PC-id_65625668	287.42	VBHQCKUZYDHUHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049361
s1c2c(CCC2)cc1CNC(c1cc(ccc1O)C)C	PC-id_61207588	287.42	ZDTMYSMRTMOVBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049362
s1c2c(CCC2)cc1CNCc1cc(c(O)c(c1)C)C	PC-id_61208941	287.42	BCWGAUNGVSLVIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049363
s1c2c(CCC2)cc1C(NC)c1c(cc(OC)cc1)C	PC-id_43482734	287.42	SJYMXJFCPWGEFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049364
s1c2c(CCC2)cc1C(NC)c1cc(c(OC)cc1)C	PC-id_43487393	287.42	MZYCAABWLSTKKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049365
s1c2CCCc2cc1CNCc1cc(c(OC)cc1)C	PC-id_61207039	287.42	ZVQUWCLIZINIKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049366
s1c2c(CCC2)cc1CNC(c1ccc(OC)cc1)C	PC-id_61208743	287.42	BVVULTASWGCMSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049367
s1c2c(CCC2)cc1C(NC)c1ccc(OCC)cc1	PC-id_43481846	287.42	DEUJLUDOPLODKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049368
s1c2CCCc2cc1CNCc1ccc(OCC)cc1	PC-id_61209498	287.42	WHWVSDFLXDTDEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049369
s1c2c(CCC2)cc1CNC(c1cc(OC)ccc1)C	PC-id_61208936	287.42	UPEJIXMIPKJERJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049370
s1c2CCCc2cc1CNCc1cc(OCC)ccc1	PC-id_61207777	287.42	KAHIGVFEQJJZFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049371
s1c2c(CCC2)cc1CNCc1c(COC)cccc1	PC-id_65591141	287.42	PVQXNWUTXSHGHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049372
s1c2c(CCC2)cc1CNC(c1c(O)cc(cc1)C)C	PC-id_61208157	287.42	HTKGABGSSAIUPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049373
s1c2c(CCC2)cc1C(NC)c1c(OC)ccc(c1)C	PC-id_43626237	287.42	BPZMZZRKTQYEFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049374
s1c2c(CCC2)cc1CNC(c1c(OC)cccc1)C	PC-id_61207394	287.42	GGOWMWJNZKUKFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049375
s1c2c(CCC2)cc1CNCc1c(OC)ccc(c1)C	PC-id_61208161	287.42	XYHUWLAHVYKZOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049376
s1c2CCCc2cc1CNCc1c(OCC)cccc1	PC-id_61209314	287.42	MPHCYWHYLFTKGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049377
s1c2c(CCC2)cc1CNCc1oc(C2C(C2)C)cc1	PC-id_61209502	287.42	OMMRPIACJROQGK-UHFFFAOYSA-N	00100010101000000000100010000000000000000000000000000000	25-01-049378
s1c2c(CCC2)cc1C(NCC)c1ccc(OC)cc1	PC-id_43489162	287.42	UVAUFQKMSFSYOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049379
s1c2c(CCC2)cc1C(NC)Cc1ccc(OC)cc1	PC-id_61065525	287.42	PEDFHIDMLOXHQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049380
s1c2c(CCC2)cc1CNCCc1ccc(OC)cc1	PC-id_65446910	287.42	WDOUTAHEDAAGDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049381
s1c2c(CCC2)cc1C(NC)Cc1cc(OC)ccc1	PC-id_61066457	287.42	CEFYNQGRMJZIJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049382
s1c2c(CCC2)cc1C(NC)Cc1c(OC)cccc1	PC-id_61066467	287.42	FMCVBMKFHOLMJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049383
s1c2c(CCC2)cc1CNC(CC)c1ccc(O)cc1	PC-id_61209319	287.42	WXBXGUGRAMWJPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049384
s1c2c(CCC2)cc1CNC(CC)c1c(O)cccc1	PC-id_61207213	287.42	NADQSEWSZBXQSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049385
s1c2c(CCC2)cc1CNCCCOc1ccccc1	PC-id_62936269	287.42	MBBPCRBNZWTESQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049386
s1c2c(CCC2)cc1CNCC(O)(c1ccccc1)C	PC-id_62373680	287.42	YTTGYNYDHFNQEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049387
s1c2c(CCC2)cc1C(O)C(c1c(cccc1)C)CN	PC-id_65186030	287.42	PBSSJYBTUMFRSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049388
s1c2c(CCC2)cc1C(O)C(c1cc(ccc1)C)CN	PC-id_65188161	287.42	KYDASWPXODYMIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049389
s1c2c(CCC2)cc1C(O)C(c1ccc(cc1)C)CN	PC-id_65188256	287.42	JXZQHKHDVUUOEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049390
Cc1ccc(c(n1)C)C(NCc1sc2c(n1)CCC2)C	MCULE-4346493136,EMOLS-id_318438083	287.423	OVKDCBOWTMPXFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049391
Cc1ccc(cn1)C(NCc1sc2c(n1)CCC2)(C)C	MCULE-3842740230,EMOLS-id_318109051	287.423	XICYBNLOBJWWHK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049392
Cc1nc(NCc2sc3c(c2)CCC3)nc(c1)C(C)C	PC-id_116234570	287.423	AFVZWRVYXCNWLH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049393
CCc1ccc(nc1)CC(c1sc2c(c1)CCC2)NN	PC-id_105324372	287.423	BUWFETGYPWWNLR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049394
CC([C@@H]1C[C@H]1c1cccs1)NC1CC(n2c1ncc2)C	EMOLS-id_319865082	287.423	XCGATAKAMDHMHU-CUGPEBSBSA-N	00100010100100000001100010000000000000000000000000000000	25-01-049395
CCCNC(c1sc2c(n1)CCC2)c1ccc(nc1)C	PC-id_104822888	287.423	GIHFINNECOQFLU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049396
CC(NC(c1sc2c(n1)CCC2)c1ccc(nc1)C)C	PC-id_104822895	287.423	FMGJGLMUKOQYRL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049397
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1N	MCULE-4620668651,EMOLS-id_331011757	287.423	KIWXXISCKRWQMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049398
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1N	MCULE-9794894988,EMOLS-id_331014058	287.423	NDJJEHLOPRUCDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049399
s1c2CCCc2cc1CNc1nc(nc(c1)C)C(C)C	PC-id_61208192	287.423	WIWQEUUZTVQZQL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049400
s1c2CCCc2nc1C(NC)c1ccc(N(C)C)cc1	PC-id_61331959	287.423	DUJOSOUFKOXWGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049401
s1c2CCCc2nc1C(NCCC)c1c(ccnc1)C	PC-id_81742703	287.423	KNBSPPFOZBYUPS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049402
s1c2CCCc2nc1C(NC(C)C)c1c(ccnc1)C	PC-id_81743188	287.423	LOWIFAVBMGLXPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049403
CC(c1sc2c(c1)S(=O)(=O)N(C2)C(C)(C)C)(C)C	SCHEMBL16476958,PC-id_117881966	287.441	RTICHDJVPFZXGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049404
CCCS(=O)(=O)CCNCc1sc2c(c1)CCC2	PC-id_106723370	287.441	ROQSJNWRXKNUTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049405
CCNC(c1sc2c(c1)CCC2)CCS(=O)(=O)C	PC-id_115848670	287.441	LQZUGSCGPXTPQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049406
CCS(=O)(=O)CCCC(c1sc2c(c1)CCC2)N	PC-id_115865212	287.441	WPGQZMAFNSWJQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049407
CCS(=O)(=O)CCCNCc1sc2c(c1)CCC2	EMOLS-id_315353650,PC-id_65092941	287.441	JTBQEUUPGKBXMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049408
CC(S(=O)(=O)CCNCc1sc2c(c1)CCC2)C	PC-id_113869816	287.441	HICQEMXMRXPMRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049409
CCS(=O)(=O)CC(NCc1sc2c(c1)CCC2)C	PC-id_115900951	287.441	XHCUIFXDEKTHMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049410
CNC(c1sc2c(c1)CCC2)CCCS(=O)(=O)C	PC-id_115820160	287.441	HLBOWUNTYVIRIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049411
S1c2c(scc2OCC(O)CNC(C)(C)C)CC1	PC-id_10755743	287.441	JJDGWDIUGJTUFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049412
S1Cc2c(OCC(O)CNC(C)(C)C)csc2C1	PC-id_10684725	287.441	ATAGFALTTOKYQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049413
n1(c(c2C(CC(c2c1C)(C)C#N)(C)C)C)CCCN(C)C	PC-id_12894308,SCHEMBL11334367	287.443	IMEVSOUVDJHGGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049414
c12SCCn1cc(CNC1CSCCSC1)n2	MCULE-8454330625,ZINC22_952960531,EMOLS-id_290024584	287.468	ODFSUGRSSBPZSL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-049415
FC(C(CNC1CCc2c1cc(s2)Cl)(F)F)F	PC-id_114169030	287.705	RNJDJADJAGDDKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049416
Clc1c2n(CCC2C(=O)c2ccc(cc2)C)c(c1)C=O	PC-id_56934522	287.741	CXWXSOTWPLIRJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049417
Clc1cc(C=C2CCc3c2[nH]c(c3)C(=O)OC)ccc1	PC-id_66873701	287.741	CIPYKLWPJMVKRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049418
Clc1cc(/C=C/2CCc3c2[nH]c(c3)C(=O)OC)ccc1	SCHEMBL1004704,PC-id_66873700	287.741	CIPYKLWPJMVKRF-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049419
Clc1ccc(/C=C/CCc3[nH]c(cc23)C(=O)OC)cc1	PC-id_66873488,SCHEMBL1004163	287.741	FLKNYCMIBLYGNV-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049420
Clc1ccc(C=C2CCc3[nH]c(cc23)C(=O)OC)cc1	PC-id_66873489,SCHEMBL1004165	287.741	FLKNYCMIBLYGNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049421
Clc1ccc(s1)Cn1c(=O)oc2c1ccs2=O	PC-id_142674374	287.743	YQFXGBZITUIKRW-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-049422
Clc1ccc(CC(=O)NN=C2CCn3c2ccc3)cc1	EMOLS-id_44522140,PC-id_71899683,MCULE-3695507389	287.744	SJJNPUNVXGXOKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049423
Clc1ccc(CC(=O)N/N=C/CCn3c2ccc3)cc1	PC-id_75362257	287.744	SJJNPUNVXGXOKE-LGMDPLHJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049424
N#Cc1ccc(cc1Cl)CNC1CC(n2c1ncn2)C	MCULE-3905102396,EMOLS-id_318401421	287.747	DNYLTMWCCUAEPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049425
N#Cc1ccc(cc1Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318428080,MCULE-6949752278	287.747	SDBZCZHBEHRORT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049426
N#Cc1ccc(c(c1)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318737413,MCULE-5277121413	287.747	CIYTUJLBUZMWJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049427
c12CN(Cc1sc(Cl)c2C=O)C(=O)OC(C)(C)C	MCULE-5032687991,EMOLS-id_331067172	287.762	DJUCDFWGJGNECN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049428
c1(NC(=O)C(C)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_43168027,EMOLS-id_37178422,MCULE-3250249412	287.762	MHKKSWRUFQEVKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049429
c1(NC(=O)CCCl)sc2c(CCC2)c1C(=O)OC	PC-id_4982506,EMOLS-id_36093891,MCULE-8410390617	287.762	OMCRFVOYMSUXGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049430
c1(NC(=O)CCl)sc2c(CCC2)c1C(=O)OCC	BAS-00572139,CoCoCo_96906,PC-id_2787712,EMOLS-id_811375,MCULE-8456029488,STOCK1S-24310,TIMTEC604434	287.762	ZUCFVJPQTDOHSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049431
COC(=O)c1c(NC(=O)[C@@H](Cl)C)sc2c1CCC2	PC-id_93262473	287.762	MHKKSWRUFQEVKZ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-049432
COC(=O)c1c(NC(=O)[C@H](Cl)C)sc2c1CCC2	PC-id_93262474	287.762	MHKKSWRUFQEVKZ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049433
COC(=O)C(CNC(=O)c1sc2c(c1)CCC2)Cl	PC-id_103493045	287.762	IFNRXOZSMFTZHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049434
Clc1nc2SCCn2c1/C=N/NC(=O)CN(C)C	PC-id_13758224	287.769	HMCAFWIYOHOSSX-LFYBBSHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049435
Clc1nc2SCCn2c1C=NNC(=O)CN(C)C	PC-id_73187166	287.769	HMCAFWIYOHOSSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049436
Clc1ccc(cc1)C1(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318359095,MCULE-3954995542	287.787	QJEBKXKMRRUDAS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-049437
Clc1cccc(c1)C1(CC1)NC1CC(n2c1ncc2)C	MCULE-6553680598,EMOLS-id_318288137	287.787	CPNAZKIZIDCJCR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-049438
Clc1ccc(cc1)C1(CC1)NCc1cnc2n1CCC2	EMOLS-id_318107968,MCULE-5664754493	287.787	IDSXVRMTMRVXRD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-049439
Clc1ccccc1C1(CC1)NCc1cnc2n1CCC2	MCULE-1858038359,EMOLS-id_318611647	287.787	CUVVSVBJGDNYJH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-049440
Clc1cccc(c1)C1(CC1)NCc1cnc2n1CCC2	MCULE-2642061190,EMOLS-id_318134188	287.787	TZNSGGIIVAOLIS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-049441
Clc1ccc(cc1)C1(CCC1)NC1CCn2c1ncc2	MCULE-1425608747,EMOLS-id_318194035	287.787	NWPSTVAICZIJAW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-049442
Clc1ccccc1C1(CNC2CCn3c2ncc3)CC1	EMOLS-id_318116497,MCULE-9712034874	287.787	KQMQZVPDENXLTQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-049443
Clc1ccc(cc1)C1(CNC2CCn3c2ncc3)CC1	EMOLS-id_318233314,MCULE-3670447099	287.787	LFEHBMXNHJQGTO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-049444
Clc1cccc(c1)C1(CNC2CCn3c2ncc3)CC1	MCULE-7504280111,EMOLS-id_318363447	287.787	YWNQQBLUJKPZPD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-049445
Clc1cccc(c1)CC1(CC1)NC1CCn2c1ncc2	EMOLS-id_318306665,MCULE-1934830382	287.787	UERCPZUBBHOFTA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-049446
Clc1ccc(cc1)[C@@H]1C[C@H](C1)NC1CCn2c1ncc2	EMOLS-id_319881215,MCULE-8396618019	287.787	WGKDNKKBMWWGIV-FJVAONGCSA-N	00001010100000110001100010000000000000000000000000000000	25-01-049447
Clc1ccccc1[C@@H]1C[C@H](C1)NC1CCn2c1ncc2	MCULE-3736157697,EMOLS-id_320332612	287.787	DWSBAZJSUXXGRP-QWJAPKFZSA-N	00001010100000110001100010000000000000000000000000000000	25-01-049448
CC1OCCC1(O)CNC1CCc2c1cc(s2)Cl	PC-id_107270856	287.806	FQJQMXVMBSGPQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049449
CCOC(=O)CCCNC1CCc2c1cc(s2)Cl	EMOLS-id_314702768,PC-id_81251863	287.806	FSLYFTJVFMFHMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049450
Clc1sc2c(c1)C(CC2)NCC1COC(O1)(C)C	PC-id_107386268	287.806	YALBAYGVPDWBMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049451
Clc1sc2CCC(NCC(=O)OC(C)(C)C)c2c1	PC-id_81462239,EMOLS-id_315004840	287.806	OIHRHCBZQMRTCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049452
Clc1sc2c(C(NCC3(O)CCOCC3)CC2)c1	PC-id_81251539	287.806	AMHZNHYLUWQEAY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-049453
Clc1sc2c(C(NC(CC(C)C)C(=O)O)CC2)c1	PC-id_81251737	287.806	WMVHFXNYAGXAAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049454
Clc1sc2c(C(NC(C(C)C)C(=O)OC)CC2)c1	PC-id_81252680	287.806	FFSMJLAWDWCGMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049455
Clc1sc2c(C(N[C@@H](C(C)C)C(=O)OC)CC2)c1	PC-id_81252898	287.806	FFSMJLAWDWCGMJ-ACGXKRRESA-N	00000010100000000000000010000000000000000000000000000000	25-01-049456
ClCCC(NC(=O)c1sc2c(c1)CCC2)COC	PC-id_114151166	287.806	ZNJDQQPUSIXUID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049457
ClC(CN(C(=O)c1sc2CCCc2c1)C)COC	PC-id_63398212,EMOLS-id_314241739	287.806	ONHCJHCKQPYEQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049458
ClCCOCCCNC(=O)c1sc2c(c1)CCC2	PC-id_114171345	287.806	HNFGAFATCJCDBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049459
COC1(COCC1)CNC1CCc2c1cc(s2)Cl	PC-id_113443447	287.806	BDZQSHVMSPOVTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049460
COCC(CCNC(=O)c1sc2c(c1)CCC2)Cl	PC-id_106244176	287.806	OXBVMCNMNNHRGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049461
COCCN(C(=O)c1sc2c(c1)CCC2)CCCl	EMOLS-id_314761212,PC-id_113468203	287.806	RPVSIOOLRFQTTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049462
c1(NC(=O)C(C)Cl)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426423,PC-id_3354038,MCULE-3655281909	287.809	KGQSNMLRFSCDBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049463
Clc1sc2c(C(NCCNC(=O)N(C)C)CC2)c1	EMOLS-id_314721162,PC-id_83117107	287.809	DLRMGGSIGDRAMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049464
Cl[C@H](C(=O)Nc1n(nc2c1CSC2)C(C)(C)C)C	PC-id_7092125,CoCoCo_4972757	287.809	KGQSNMLRFSCDBB-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049465
Cl[C@@H](C(=O)Nc1n(nc2c1CSC2)C(C)(C)C)C	PC-id_7092126,CoCoCo_4972756	287.809	KGQSNMLRFSCDBB-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049466
CCCC(CNC1CCc2c1cc(s2)Cl)CCO	PC-id_106114482	287.849	LYHYGPFTOWTDRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049467
CCC(C(CNC1CCc2c1cc(s2)Cl)O)CC	PC-id_106284596	287.849	FAIXFUJZXKMFDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049468
CCC(CNC1CCc2c1cc(s2)Cl)(CO)CC	PC-id_113349110	287.849	JDBPXEABBSQLPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049469
CCCCOCCCNC1CCc2c1cc(s2)Cl	PC-id_116155026	287.849	ADDNWQFFXLIQQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049470
CC(CCOCCNC1CCc2c1cc(s2)Cl)C	PC-id_81251425,EMOLS-id_315605631	287.849	KRMAIWIXAPNWNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049471
CC(COCCCNC1CCc2c1cc(s2)Cl)C	EMOLS-id_315608190,PC-id_81252379	287.849	KPWNDAHIGMSINX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049472
CCOCC(C(C)C)NC1CCc2c1cc(s2)Cl	PC-id_103271796	287.849	WIXZKRPMUNGTCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049473
CC(OCCCCNC1CCc2c1cc(s2)Cl)C	PC-id_104178377	287.849	PHEWNLPINKYOFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049474
Clc1sc2c(C(NCC(O)(CC(C)C)C)CC2)c1	PC-id_81252305	287.849	PVWUONZXAJHJFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049475
COCCC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_113434829	287.849	IDHACVNTVZQXIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049476
OC(CC(C)(C)C)CNC1CCc2c1cc(s2)Cl	PC-id_107151429	287.849	ZDTJZHQJIRXIRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049477
OCCC(C(C)(C)C)NC1CCc2c1cc(s2)Cl	PC-id_113586563	287.849	PWGMSJMXKFCBJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049478
OCCCC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_103898881	287.849	TZKKQMJCKXYZAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049479
Clc1sc2c(c1)C(CC2)NCC1CCSCC1	PC-id_116204640	287.872	FEYJIUBYPPQQTN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-049480
Clc1sc2c(C(NCC3(SCCC3)C)CC2)c1	PC-id_81251331	287.872	QIAZQVAEYIJGGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049481
Clc1sc2c(C(NCC3SCCCC3)CC2)c1	PC-id_81252717	287.872	MCXHWUJNVLUHBO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-049482
CSC1(CCC1)CNC1CCc2c1cc(s2)Cl	PC-id_113939316	287.872	RCEONKHDBNLNGB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-049483
CSC1CCC(C1)NC1CCc2c1cc(s2)Cl	PC-id_103926272	287.872	PYIBWOYJNMNABJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049484
CSC1CCCC1NC1CCc2c1cc(s2)Cl	PC-id_114121247	287.872	QGVMFYWEEOCWHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049485
CC1(C2=C(C=C(S2)Br)C(=O)N1C(=O)[O-])C	PC-id_154408285	287.934	YSJATXIMORHSPL-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-049486
C1CN2C(=CC=C2C(=O)C3=CC=C(C=C3)Cl)C1C(=O)[O-]	PC-id_153783257	288.043	AWYPVJCKATWYJR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-049487
C1C2=C(C[N+]1(C(=O)C(F)(F)F)F)N(N=C2)CC(F)F	PC-id_153277585	288.057	HWWSRTUZALIZFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049488
C1C2=CN(N=C2C[N+]1(C(=O)C(F)(F)F)F)CC(F)F	PC-id_153277587	288.057	KVLBHTJGGTWWPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049489
CC(C)(C1CCC2=NC(=NN12)C(=O)N3CC(C3)(F)F)F	PC-id_161721138	288.12	NJMOIVZQCFBZCJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-049490
CC1[C@@](OC2=NC(=CN12)[N+](=O)[O-])(C)N(C)C3=CC=CC=C3	PC-id_153874056	288.122	MHZBPEOOYJHRJF-SBNLOKMTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049491
Ic1c2CCCc2nn1CC1CC1	MCULE-4041658515,EMOLS-id_324387419	288.128	JQECQDNVOFKJSI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049492
Ic1nn(CC2CC2)c2CCCc12	MCULE-2592078346,EMOLS-id_324390480	288.128	SICGBAQUVDQNOA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049493
CN(CC1=CC=C(C=C1)OC)CC2=NC3=C(S2)CCC3	PC-id_165435250,MCULE-3209523291,EMOLS-id_337831155	288.13	LLZAPKASSAWQQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049494
Brc1c2CN(Cc2oc1)C(=O)OC(C)(C)C	PC-id_84715531	288.138	FCPHTYFLQZHKBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049495
c12CN(Cc1nn(CC)c2Br)C(=O)OCC	EMOLS-id_324341612,MCULE-4307604823	288.141	SINZKCKHHZWUIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049497
c12CN(Cc1nn(CCC)c2Br)C(=O)OC	EMOLS-id_324339564,MCULE-3413142309	288.141	DEPWLUMPFCOVCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049498
CC(C)(C)OC(=O)N1Cc2c(Br)cnn2C1	EMOLS-id_337754855	288.141	DKNBSJGFSORMAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049499
CC(C)(C)OC(=O)N1Cc2[nH]nc(Br)c2C1	PC-id_105525371,EMOLS-id_92489854,ZINC22_259705719,MCULE-6976083779,EMOLS-id_317499141	288.141	KGQAIHPYYHKKMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049500
CC(C)(C)OC(=O)N1CCc2c(Br)n[nH]c12	EMOLS-id_324187556	288.141	DIAAZBNZVYRVRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049501
CC(C)(C)OC(=O)N1CCn2c(Br)cnc12	EMOLS-id_324188580	288.141	SMZFFUCVLVCALV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049502
CC(C)(C)OC(=O)N1CCn2c(Br)ncc12	EMOLS-id_324189092	288.141	KESXBJJGIXJIPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049503
CC(C)(C)OC(=O)N1CCn2cc(Br)nc12	EMOLS-id_324189604	288.141	MLZCOMCAXAAJTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049504
CC(C)(C)OC(=O)N1CCn2nc(Br)cc12	EMOLS-id_324190116	288.141	SFDKOVTXARCOPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049505
CC(C)(C)OC(=O)N1CCn2ncc(Br)c12	MCULE-6590020016,SCHEMBL16717321,PC-id_118075807,EMOLS-id_323992465	288.141	PKIOSMBETRQYBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049506
CC(C)C1=NN=CN1CCNC(=O)C2=C3CCCC3=CO2	MCULE-8693381022,PC-id_154757507,EMOLS-id_257882761	288.159	LBTQNPVVFOVZET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049507
CCCCN1C(=O)c2cc(Br)sc2C1=O	EMOLS-id_49842267,SCHEMBL13859021,PC-id_71014656,MCULE-3697620174	288.161	GBJSWLKKYHQYBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049508
O=C(c1n(C)nc2c1CCC2)NC1CC(C1)(Cl)Cl	EMOLS-id_320240990,MCULE-3833508266	288.173	PYVHTOIUNLLCLK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-049509
CC(C)(C)C1=NN2C(CC(C2=N1)F)/C(=C/N=CC=C)/C=C	PC-id_155104505	288.175	YHBKLFVRUKAAJW-XWEKBUIXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049510
BrCCCNC(=O)c1sc2c(c1)CCC2	PC-id_43133568,EMOLS-id_37516604	288.204	LKMANAYDRBXHQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049511
BrCCC(=O)NCc1sc2c(c1)CCC2	EMOLS-id_313719512,PC-id_104191198	288.204	ODMCMIVUIIPVFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049512
BrCC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_107827235,PC-id_114310501	288.204	KNWUBISPZUPADI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049513
BrCCN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_262285601,PC-id_80658443	288.204	ITUXOMPHICBFJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049514
CC(CNC(=O)c1sc2c(c1)CCC2)Br	PC-id_114308632,EMOLS-id_262284188	288.204	GQEDSZJKTWWUIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049515
CC(C(=O)NCc1sc2c(c1)CCC2)Br	PC-id_107904792,EMOLS-id_262284158	288.204	FGBGTEMCNSNJEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049516
CCOC(=O)c1nn(c2c1CCC2(F)F)CC(=O)OC	PC-id_144693724	288.247	QPQBZJYMALUTMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049517
CCOC(=O)c1nn(CC(=O)O)c2CC(Cc12)C(F)F	EMOLS-id_324129989	288.247	IVXROWGLWFJUNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049518
COC(=O)c1c(NC(=O)NCC(F)F)nc2n1CCC2	EMOLS-id_319467091	288.251	WIMWQMGWYKIPEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049519
COc1ccc(cc1)C(=O)C1N=C(n2n1c(=O)[nH]c2=O)C	PC-id_101636500	288.259	IZAVEJJFMYHJJS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-049520
FC(F)(F)c1oc2c(CCC2)c1C(=O)N1CCNCC1	PC-id_83610562	288.266	OVNIZKWRAHTTMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049521
C1C(Cn2c1c(nc2)OS(=O)(=O)C(F)(F)F)S	PC-id_88427373,SCHEMBL9201491	288.267	PHAUZTYCFVUJPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049522
C1Cn2cnc(c2C1S)OS(=O)(=O)C(F)(F)F	SCHEMBL9199907,PC-id_88427194	288.267	SMGFUQQATPCFPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049523
c12CN(Cc1nn(CC1CC1)c2C=NO)CC(F)(F)F	EMOLS-id_324354924,MCULE-6441069751	288.269	NPOROUZSMNQYJC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049524
c12CN(Cc1nn(C)c2C(=O)NC1CC1)CC(F)(F)F	EMOLS-id_324356196,MCULE-1305202137	288.269	JTWFGAPMJDXWHY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049525
CN1CC(C(C1)C(F)(F)F)C(=O)N1CCn2c1ncc2	EMOLS-id_319494642	288.269	YCRXLLVRJWJRDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049526
CN(C/C=C/C(=O)N1Cc2c[nH]nc2C1)CC(F)(F)F	ZINC22_854581305	288.269	FOGVDFSXSHHAGO-NSCUHMNNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049527
O=C(C1NCc2c1c[nH]n2)N1CCC[C@H](C1)C(F)(F)F	EMOLS-id_319074079	288.269	VVYBNGLVDSOQJC-PVSHWOEXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049528
O=C(N1Cc2c(C1)cn[nH]2)CC(C(F)(F)F)NC1CC1	EMOLS-id_320305540,MCULE-8469341170	288.269	PJGNJPFQDPYCKJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049529
O=C(N1CCn2c1ncc2)CC(C(F)(F)F)NC1CC1	EMOLS-id_318984393	288.269	SBFYESDUCOMYSB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049530
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1F	PC-id_68440720,SCHEMBL2918778	288.277	DPJDRQYCKDUKQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049531
CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1	BindingDB_PC-id_23645983,PC-id_23645983,SCHEMBL2919387,BindingDB-id_21787,CHEMBL203714	288.277	OIGXEDXBMLAHJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049532
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(F)cc3)c2C1	PC-id_23645980,CHEMBL383652,BindingDB_PC-id_23645980,BindingDB-id_21784,SCHEMBL2914290	288.277	GVRXRJXTAJCHAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049533
O=CN1Cc2c(C1C)[nH]nc2NC(=O)c1ccccc1F	PC-id_143492420	288.277	ONLZIZCJCPSIJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049534
S1(=O)(=O)C(n2nc(c(c2C1)C(=O)OC)C(=O)OC)C	PC-id_25034381	288.277	BEKHDMXFZJPUHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049535
Cc1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324840427	288.282	CZHZMIHIGMNUFN-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-049536
Cc1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324842720	288.282	OVIBCYPAQMYBTG-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-049537
Cc1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324843747	288.282	YYQLPGZITPASED-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-049538
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)C	MCULE-4282356115	288.282	CZHZMIHIGMNUFN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049539
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)C	MCULE-4364844579	288.282	OVIBCYPAQMYBTG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049540
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)C	MCULE-7012274868	288.282	YYQLPGZITPASED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049541
n12ncnc1sc(=CNc1ccccc1C(=O)O)c2=O	MCULE-1568934443	288.282	KIIWEKKLYHWRJQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049542
n12ncnc1sc(=CNc1cccc(c1)C(=O)O)c2=O	MCULE-2709827027	288.282	SVRCAADTRFYTPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049543
n12ncnc1sc(=CNc1ccc(cc1)C(=O)O)c2=O	MCULE-8452076745	288.282	AULQCNUXFDGXPH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049544
OC(=O)c1ccccc1N/C=c/1sc2ncnn2c1=O	ZINC22_256027938,EMOLS-id_190366729,PC-id_117588134	288.282	KIIWEKKLYHWRJQ-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049545
O=C(O)c1cccc(N/C=c/2sc3ncnn3c2=O)c1	ZINC22_618255235	288.282	SVRCAADTRFYTPJ-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049546
OC(=O)c1ccc(N/C=c/2sc3ncnn3c2=O)cc1	ZINC22_256027772,EMOLS-id_190366723,PC-id_117588132	288.282	AULQCNUXFDGXPH-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049547
S1c2n(nc(n2)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)C1	PC-id_82357990	288.282	LIVDYPYOIHXJQS-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049548
O=C(C(c1ccccc1)(F)F)C=Cc1nn2c(c1)CCC2	MCULE-1769217101,EMOLS-id_257949141	288.292	NHXVCZAXQRNKQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049549
c12CN(Cc1nn(CC(F)F)c2CN(C)C)C(=O)OC	MCULE-1260965271,EMOLS-id_324351334	288.294	LQLCYCQBYUQOJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049550
c12c(CCC1C(=O)O)[nH]c(COc1cccc(OC)c1)n2	PC-id_84010927,MCULE-2654906093	288.299	YHCIQLOICZJOOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049551
c1(onc2CCCc12)NC(=O)c1cccc(OC)c1OC	EMOLS-id_12336585,CoCoCo_5123854,PC-id_16942363,MCULE-2563645087,ZINC22_8976453	288.299	WOOPUYVDAWVXNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049552
c1(onc2CCCc12)NC(=O)c1ccc(c(OC)c1)OC	ZINC22_8976384,MCULE-7900934512,CoCoCo_5123834,PC-id_16942298,EMOLS-id_12336457	288.299	SZZAXHCCYANHSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049553
c1(onc2CCCc12)NC(=O)c1cc(OC)cc(OC)c1	MCULE-2137370930,CoCoCo_5123827,EMOLS-id_12044724,ZINC22_8976371,PC-id_16942284	288.299	WRPVTZSHYDQQAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049554
o1nc(c2CCCc12)C(=O)Nc1cc(OC)c(OC)cc1	PC-id_3353806	288.299	VIBXDHGTUKMLIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049555
OCCOc1ccc(cn1)NC(=O)c1occ2c1CCC2	EMOLS-id_318882753	288.299	ULKVNOQKCJORGH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049556
C1Cc2cc(nn2C1)C=C1C2N(C1=O)C(=CS2)C(=O)[O-]	PC-id_91932993	288.302	YJSNNWLWFJHTLH-UHFFFAOYSA-M	00001011100000000001001010000000000000000000000000000000	25-01-049557
c1(C(=O)NCC(O)c2cccc(=O)[nH]2)c2CCCc2[nH]n1	MCULE-2356277711,EMOLS-id_337824261	288.302	IVWBNUZHDOMXPP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049558
Cc1ccc(CNC(=O)c2cc3n(n2)CCO3)c(=O)n1C	ZINC22_574442368,MCULE-8472517812,EMOLS-id_316804589	288.302	BKHOXQREQMECKD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049559
CC1(CCNc2ccccc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_141088076	288.302	RJNNXVXZCKPROQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049560
Cc1noc(c1)C1CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_99557066	288.302	AEJWSMMLGITLRN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049561
CCOC(=O)c1ccc(cc1)NC1Nc2cc(nn2O1)C	PC-id_136635252,SCHEMBL15033507	288.302	VHGLQNGBYSYJHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049562
CN(c1ccccc1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_23081577,SCHEMBL5541801	288.302	IJQHLZIESZZENU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049563
CN(c1ccccc1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5541788,PC-id_69481237	288.302	IJQHLZIESZZENU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049564
COc1cccc(c1C(=O)NC1CC(n2c1ncn2)C)O	EMOLS-id_278965464	288.302	PYUWXSZTLRJOIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049565
COc1ccnc(c1NC(=O)c1cnn2c1CCC2)OC	EMOLS-id_319183591	288.302	MBDDCKWSVUREAM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049566
COc1cc(=O)[nH]cc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320138770,MCULE-8554069915	288.302	AARUQPDZJBXGGR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049567
COCOc1ccc(cc1)NC(=O)N1CCn2c1ncc2	EMOLS-id_319039093	288.302	PORXFGFJHKRLEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049568
COC(=O)c1c(C)[nH]c(c1C)C(=O)N1CCn2c1ncc2	EMOLS-id_316586688	288.302	MMWHMWZQBULREV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-049569
O=C1/C(=C/c2nn3c(c2)CCC3)/[C@@H]2N1C(=CS2)C(=O)[O-]	BindingDB_PC-id_91932993	288.302	YJSNNWLWFJHTLH-DJTUGOFGSA-M	00001011100000000001001010000000000000000000000000000000	25-01-049570
O=C(c1cccnc1)N1Cc2[nH]nc(COCCO)c2C1	ZINC22_96260214,EMOLS-id_44371972,PC-id_97520292	288.302	CCOHHKCYROXZHS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049571
O=C(c1ccno1)N1Cc2c(C1)[nH]nc2COCC1CC1	PC-id_97406024	288.302	LNYGOVSNZJJCMR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049572
OCc1nnn(c1)C1CN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_319457887	288.302	URYACRPBPNMTSD-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-049573
O=C(c1occ2c1CCC2)N1CC(C1)(O)c1cnnn1C	EMOLS-id_319491784	288.302	AMNHKFQIXXHFOV-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-049574
OCCOc1ccc(cn1)NC(=O)c1cn2c(n1)CCC2	MCULE-9725400528,EMOLS-id_320100584	288.302	SZZVSSSKFWCBRJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049575
OCCOc1ccc(cn1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318937327	288.302	FZWSENZFUPNIOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049576
O=C(N1Cc2c(C1)nc(o2)CN1CCCC1)c1ccno1	PC-id_97406068	288.302	YEPBNMLTMFLZDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049577
O=C(N1CCn2c1ncc2)CCN1C(=O)C(=C(C1=O)C)C	EMOLS-id_258164335,MCULE-3417567465	288.302	LTTBUGDRKFPSSJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-049578
O=C(NCc1n2CCCc2nn1)c1c(OC)cccc1O	PC-id_52024775	288.302	PEXAMROFWARQOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049579
O=C(NCc1n2CCCc2nn1)c1c(O)ccc(OC)c1	PC-id_52024774	288.302	LPAHXWLLGDFSGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049580
O=C(NC[C@@H](O)c1cccc(O)n1)c1n[nH]c2c1CCC2	ZINC22_2356139722	288.302	IVWBNUZHDOMXPP-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049581
O=C(NC[C@H](O)c1cccc(O)n1)c1n[nH]c2c1CCC2	ZINC22_2356139723	288.302	IVWBNUZHDOMXPP-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-049582
O(C(=O)C1N(c2n(nc(OC)n2)C1)Cc1ccccc1)C	PC-id_23255928	288.302	HSXBRHVXZLGRDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049583
OC(=O)C1N(C(c2ccccc2)C)c2n(nc(OC)n2)C1	PC-id_74035620	288.302	WURNSIWCAYOHOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049584
OC(=O)[C@H]1N([C@@H](c2ccccc2)C)c2n(nc(OC)n2)C1	PC-id_23255930	288.302	WURNSIWCAYOHOS-KOLCDFICSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049585
S1C2N(C(=O)/C/2=C/c2nc3n(CCC3)c2)C(=C1)C(=O)[O-]	PC-id_59229733	288.302	SFVSKJYLOIWSMM-YWEYNIOJSA-M	00001011100000000001001010000000000000000000000000000000	25-01-049586
S1C2N(C(=O)C2=Cc2nc3n(CCC3)c2)C(=C1)C(=O)[O-]	PC-id_72239159	288.302	SFVSKJYLOIWSMM-UHFFFAOYSA-M	00001011100000000001001010000000000000000000000000000000	25-01-049587
c1(C(=O)Nc2n[nH]c(C3CCCO3)n2)c2CCCc2n[nH]1	EMOLS-id_48569952,EMOLS-id_49401681,STOCK7S-44177,PC-id_71700923,MCULE-8384934327	288.305	ZPSXWBSHVGWPDE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049588
c1(C(=O)NCCc2nc(O)cc(N)n2)c2CCCc2[nH]n1	EMOLS-id_49870382,PC-id_136288630,MCULE-7265825606,ZINC22_215136970	288.305	GRHQSQWMWKSKMN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049589
Cc1cnc(c(c1)[N+](=O)[O-])NC(c1nnc2n1CCC2)C	MCULE-7742228064,EMOLS-id_48760808,PC-id_75483779	288.305	GCPWEDPCCULBBR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049590
Cc1cnc(N[C@H](C)c2nnc3n2CCC3)c([N+](=O)[O-])c1	PC-id_97340582,ZINC22_95994688	288.305	GCPWEDPCCULBBR-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049591
Cc1cnc(N[C@@H](C)c2nnc3n2CCC3)c([N+](=O)[O-])c1	ZINC22_95994687,PC-id_97340581	288.305	GCPWEDPCCULBBR-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-049592
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(=O)n(C)n1	PC-id_47031264,ZINC22_58161502,EMOLS-id_31936688,MCULE-6143185372	288.305	HMQDDHFGIIZYKF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049593
COC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=N)CC1=N	PC-id_136650815	288.305	NKZVSLDADDUGPJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-049594
COC1=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=CC1=N)N	SCHEMBL3859538	288.305	JLDWSHRMKSCNHO-MBZFHDRTSA-N	00000010100011000001000010000000000000000000000000000000	25-01-049595
COc1cncc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319865099	288.305	CPXNRSFOYCIFAM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049596
COc1nccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319365394	288.305	LMKQGJGGMBVQGJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049597
COc1ncccc1NC(=O)N1Cc2nn(C)c(N)c2C1	EMOLS-id_177327700,MCULE-8095659433,ZINC22_585138293	288.305	CGHANTTUNKTZQS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049598
COCc1ccnc(n1)NC(=O)NC1CCn2c1ncc2	EMOLS-id_318836090	288.305	JPCDAJXXIMCKCR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049599
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)n1nncc1	EMOLS-id_102128062	288.305	SVCGVMZZOXCWSV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-049600
O=C(c1n[nH]c2c1CCC2)N1CCOC(C1)c1n[nH]cn1	EMOLS-id_319492754	288.305	BKVUOEPWOFXWSK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-049601
O=C(Nc1ccn(c(=O)c1)C)NCc1nnc2n1CCC2	EMOLS-id_319995316,MCULE-9749803102	288.305	NMLOCQQBTUXARN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049602
O=C(Nc1nc([C@@H]2CCCO2)n[nH]1)c1[nH]nc2c1CCC2	PC-id_97263508,ZINC22_95472478	288.305	ZPSXWBSHVGWPDE-VIFPVBQESA-N	00000010100000000001100010000000000000000000000000000000	25-01-049603
O=C(Nc1n[nH]c([C@H]2CCCO2)n1)c1n[nH]c2c1CCC2	ZINC22_96363857,PC-id_97551122	288.305	ZPSXWBSHVGWPDE-SECBINFHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049604
O=C(N[C@@H]1COC[C@@H]1n1ccnc1)[C@H]1Cc2nncn2C1	ZINC22_1875405788	288.305	OLBCWZNSPPLDGA-AXFHLTTASA-N	00000010100000000001100010000000000000000000000000000000	25-01-049605
O=C(N[C@@H]1COC[C@@H]1n1ccnc1)[C@@H]1Cc2nncn2C1	ZINC22_1875405789	288.305	OLBCWZNSPPLDGA-MXWKQRLJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049606
n12nc(nc1/C(=N/c1c(cc(cc1)C)C)/C(=C2[N+]#[C-])[N+]#[C-])C	PC-id_59091120	288.307	CFFZKZUNDOSVJB-XSFVSMFZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-049607
c12CN(Cc1nn(CC1CCC1)c2CN)CC(F)(F)F	EMOLS-id_324349805,MCULE-5018418124	288.312	SIMLNPIUQLEVDX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-049608
CC1CC(c2n1ccn2)NC1CCN(C1)CC(F)(F)F	MCULE-8336684195,EMOLS-id_318323519	288.312	IUBKGDLEEZJJGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049609
OC1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)OC([2H])([2H])[2H]	PC-id_71749083	288.313	BVOPXASBFYEPRL-FIBGUPNXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049610
N#Cc1c(/N=Cc2ccc(c(c2)F)F)sc2c1CCC2	CoCoCo_3634928	288.315	HJUUBQVQMWRSJN-UWVJOHFNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049611
N#Cc1c(N=Cc2ccc(c(c2)F)F)sc2c1CCC2	EMOLS-id_26152565,PC-id_2354369,MCULE-9296533549	288.315	HJUUBQVQMWRSJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049612
N#Cc1c(/N=C/c2ccc(F)c(F)c2)sc2c1CCC2	PC-id_9660906,ZINC22_3236503,CoCoCo_3634927	288.315	HJUUBQVQMWRSJN-UFWORHAWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049613
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2C)F)n1	MCULE-2577393234,EMOLS-id_330984188	288.317	QMZXRIIEGNLNRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049614
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2F)C)n1	EMOLS-id_330983676,MCULE-3695315679	288.317	WOFSYKJDYATVBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049615
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(C)c2F)n1	EMOLS-id_330982141,MCULE-2566683232	288.317	SFEBZKOXBXMTIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049616
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(C)c2)F)n1	MCULE-7520526037,EMOLS-id_330983932	288.317	HYSZMYVXYSUEAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049617
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)ccc2F)n1	MCULE-8105145759,EMOLS-id_330981885	288.317	NTRAZMHUEMRRPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049618
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(F)c2)C)n1	EMOLS-id_330983420,MCULE-1516343032	288.317	YWKUZQVFVWJPHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049619
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(F)c2C)n1	EMOLS-id_330984445,MCULE-2432768698	288.317	QLQPQNSPOPRZOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049620
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)ccc2C)n1	EMOLS-id_330984701,MCULE-2799947988	288.317	MCAKHYKGFBHNMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049621
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1C)F	EMOLS-id_330967224,MCULE-8360283489	288.317	VLRMBZSJKLCESH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049622
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1F)C	MCULE-5138149422,EMOLS-id_330966712	288.317	ICLWHHWNDIYXIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049623
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)ccc1F	EMOLS-id_330969016,MCULE-9446513064	288.317	ZUZYTBVMRNJWFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049624
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(C)c1F	MCULE-3460417493,EMOLS-id_330965177	288.317	RYCYZFPOVORHCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049625
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(C)c1)F	MCULE-7737503481,EMOLS-id_330966968	288.317	DKNUBMBZMWJBHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049626
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(F)c1)C	EMOLS-id_330966456,MCULE-6472708451	288.317	IRYRTSPRGMEKAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049627
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(F)c1C	EMOLS-id_330967481,MCULE-2412135333	288.317	QPMMLUAXHBPOGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049628
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)ccc1C	MCULE-2356119504,EMOLS-id_330967737	288.317	YECDIJOHELCODB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049629
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)F	MCULE-2685765647,EMOLS-id_330971315	288.317	XZDRPFSXFXHMND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049630
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccccc1F	MCULE-9096041498,EMOLS-id_330972085	288.317	KQVLSKZTNQQIAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049631
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2F)n1	MCULE-2020455252,EMOLS-id_330990835	288.317	OAQXWNVWFOHOPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049632
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)F)n1	MCULE-7181271515,EMOLS-id_330992370	288.317	CNMMSMJAOSFUGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049633
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(F)c2)n1	EMOLS-id_330993395,MCULE-6598537115	288.317	JZBXIEJWJOSWHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049634
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)F	EMOLS-id_330970046,MCULE-6462095298	288.317	NLIQTQLRBSUHSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049635
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1F	EMOLS-id_330972606,MCULE-2456435410	288.317	RODWLLZJZZQTFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049636
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(F)c1	EMOLS-id_330971071,MCULE-9695628838	288.317	OLYFRNJFDDPVMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049637
COc1cccc(Cn2nc3CCC(C)c3c2C=O)c1F	EMOLS-id_330982332,MCULE-9238381546	288.317	CXMPYTMZTCONNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049638
COc1cccc(Cn2nc(C=O)c3C(C)CCc23)c1F	MCULE-3909727571,EMOLS-id_331002609	288.317	XEOOQRQVUCKLJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049639
COc1cccc(F)c1Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330981566,MCULE-3826548680	288.317	RKYQRGJNOOZTOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049640
COc1cccc(F)c1Cn1nc(C=O)c2C(C)CCc12	MCULE-9516835402,EMOLS-id_331005938	288.317	LKZVEUIOIUOUPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049641
COc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1F	EMOLS-id_330983868,MCULE-7791674199	288.317	LSEIQQOMUQLCQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049642
COc1ccc(Cn2nc3CCC(C)c3c2C=O)c(F)c1	EMOLS-id_330984124,MCULE-5323926810	288.317	PYNLWOWPXIKQTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049643
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1F	MCULE-8593392408,EMOLS-id_331004145	288.317	PZZQKOPKYRXSHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049644
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)c(F)c1	EMOLS-id_331004401,MCULE-8652238364	288.317	MUMVDLRRBBWHMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049645
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330985405,MCULE-2574272784	288.317	HHWSOQYJJSBHHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049646
COc1ccc(F)cc1Cn1nc(C=O)c2C(C)CCc12	MCULE-3571198175,EMOLS-id_331005682	288.317	HEFATJMZHKREIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049647
COc1ccc(F)c(Cn2nc3CCC(C)c3c2C=O)c1	MCULE-6912485887,EMOLS-id_330982076	288.317	GMHOSJVWYZWZIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049648
COc1ccc(F)c(Cn2nc(C=O)c3C(C)CCc23)c1	EMOLS-id_331002353,MCULE-3585543738	288.317	ORBPVDXQRILJHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049649
COc1cc(Cn2nc3CCC(C)c3c2C=O)ccc1F	MCULE-9459396601,EMOLS-id_330982588	288.317	NJZAOYRMNAHPEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049650
COc1cc(Cn2nc(C=O)c3C(C)CCc23)ccc1F	EMOLS-id_331002865,MCULE-7278649568	288.317	BSSWFAVMWXOFPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049651
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330981822,MCULE-5709859248	288.317	BTQHFDKCEGMZFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049652
COc1cc(F)ccc1Cn1nc(C=O)c2C(C)CCc12	EMOLS-id_331002099,MCULE-5242254307	288.317	XZBLPWXFHAKZOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049653
COc1cc(F)cc(Cn2nc3CCC(C)c3c2C=O)c1	MCULE-7025365648,EMOLS-id_330982844	288.317	JISAIBJOZJYCRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049654
COc1cc(F)cc(Cn2nc(C=O)c3C(C)CCc23)c1	EMOLS-id_331003121,MCULE-7170648304	288.317	PCXXXDPIGQTIIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049655
COc1c(F)cccc1Cn1nc2CCC(C)c2c1C=O	MCULE-7404732979,EMOLS-id_330982078	288.317	YBJIUIOHRUMXGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049656
COc1c(F)cccc1Cn1nc(C=O)c2C(C)CCc12	EMOLS-id_331002355,MCULE-8260222843	288.317	UBFYRBHTKNCQQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049657
FC1Cc2n(nc(c2C1)C(=O)OCC)Cc1ccccc1	PC-id_83854076	288.317	RTDSMGONDOKEPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049658
O=C(c1ccccc1O)/C=C/Cc1scc2c1OCO2	SCHEMBL7717895,PC-id_22466797	288.318	DIZNKUKBRRCZGP-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049659
s1c(c2OCOc2c1)CC=CC(=O)c1c(O)cccc1	PC-id_70171603	288.318	DIZNKUKBRRCZGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049660
c1(CNC(=O)Nc2ccc(F)cc2)c2CCCc2nn1C	ZINC22_225818590,PC-id_91819408,EMOLS-id_53884685,MCULE-6964908307	288.32	DJKUQJWHVCMCIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049661
CCc1ccc(cc1C(=O)NC1CC(n2c1ncn2)C)F	EMOLS-id_316633392	288.32	YWCYPQGRPPYTOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049662
CC(Cc1ccccc1F)NC(=O)C1NCc2c1c[nH]n2	MCULE-4043035235,EMOLS-id_320058880	288.32	HNQVBJMSPVZOPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049663
Cn1ncc2c1CN(C(=O)NCCc1ccc(F)cc1)C2	MCULE-5343729395,ZINC22_1186265765,PC-id_146104044,EMOLS-id_324019308	288.32	XFTBPVXVAJCYFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049664
CNc1ccc(cc1F)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_316636576	288.32	KYOUMYOUVBWZNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049665
CNc1ccc(cc1F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319550376	288.32	LUYIYOKGLBELBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049666
Fc1ccc(c(c1)C)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_115745342	288.32	WKJQAQNGYGRGNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049667
Fc1ccc(c(c1)C)C(=O)NC(c1nnc2n1CCC2)C	PC-id_115745825	288.32	GZUWAFOBUCBPNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049668
Fc1ccc(cc1)N(C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-9573548688,EMOLS-id_320302463	288.32	ADUYQFNVELKXOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049669
Fc1c(cc(C(=O)NC(c2n3CCCc3nn2)C)cc1)C	PC-id_63212965	288.32	MRIGWUWLTKIJQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049670
Fc1c(cc(C(=O)N(Cc2n3CCCc3nn2)C)cc1)C	PC-id_63213270	288.32	QWTVMKNCXBILNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049671
Fc1c(C(=O)NC(c2n3CCCc3nn2)C)cc(cc1)C	PC-id_62509427	288.32	HKXKYWVOKYNXAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049672
Fc1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(cc1)C	PC-id_62512674	288.32	QEQIKUCWRWAIAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049673
Fc1c(C(=O)N(Cc2n3CCCc3nn2)C)ccc(c1)C	PC-id_79781589	288.32	BETKBOJZDBCUIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049674
Fc1c(C(=O)NC(c2n3CCCc3nn2)C)ccc(c1)C	PC-id_79781785	288.32	LEEFWERPCJLTFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049675
Fc1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1C	PC-id_80710867	288.32	HFJGKIVQAONAFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049676
Fc1c(C(=O)NC(c2n3CCCc3nn2)C)cccc1C	PC-id_80711198	288.32	ZGLCYXFJNJKYCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049677
O=C(C1NCc2c1c[nH]n2)NCCCc1cccc(c1)F	EMOLS-id_319694057	288.32	BLPMJHLMEGTLRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049678
O=C(c1n(C)nc2c1CCC2)NCc1nccc(c1F)C	EMOLS-id_320030747,MCULE-6122993396	288.32	OVZRYTXSUDMDGO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049679
O=C(NCc1cnc2n1CCC2)CCc1cncc(c1)F	EMOLS-id_318858082	288.32	CJUBWVVLABTDKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049680
O=C(NCc1n[nH]c2c1CCC2)CCc1cncc(c1)F	EMOLS-id_319111608	288.32	CUEDZVPUDCOILZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049681
c12c(CCC1C(=O)O)sc(NC(=O)c1ccccc1)n2	MCULE-7028286169,EMOLS-id_27513983,PC-id_44116800	288.322	NHLKZTYVPMLBOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049682
C1(=Nc2n(C1=O)ccc2)CS(=O)(=O)c1ccc(cc1)C	ZINC22_32611926,PC-id_39855482,MCULE-6474008955,EMOLS-id_27655922,CoCoCo_6675996	288.322	FPWVWKBVNWTYON-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-049683
C1(=Nc2n(C1=O)ccc2)CS(=O)(=O)c1cccc(C)c1	PC-id_39855480,CoCoCo_6675994,ZINC22_32611924,MCULE-5317800802,EMOLS-id_27655918	288.322	UWQGMNKDQZGYMA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-049684
O=C(c1sc2c(c1)CCC2)Nc1cccnc1C(=O)O	PC-id_104739676	288.322	LHGBUCNANDGGPI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049685
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2	PC-id_4125751,CoCoCo_3758395,EMOLS-id_2984792,ZINC22_4948755,MCULE-1304199291	288.322	QZELHFGIUXYGMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049686
O=C(Nc1nc2C(=O)CCc2s1)OCc1ccccc1	EMOLS-id_331269165	288.322	YWFXGTKSFJWKMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049687
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)O)c1ccccc1	EMOLS-id_337398872,PC-id_42281824,ZINC22_11920125,CoCoCo_5091166	288.322	NHLKZTYVPMLBOD-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049688
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)O)c1ccccc1	ZINC22_11920126,CoCoCo_5091167,PC-id_42281826	288.322	NHLKZTYVPMLBOD-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-049689
O=C(Nc1sc2c(c1C(=O)O)CCC2)c1cccnc1	EMOLS-id_2944783,CoCoCo_3746361,ZINC22_2608271,PC-id_2070993,MCULE-1125426097	288.322	LWAUYBRLQTZQEY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049690
s1c2CCCc2cc1C(=O)Nc1cc(cnc1)C(=O)O	PC-id_63153547	288.322	ITXJGWDGCHIMDZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049691
s1c2CCCc2cc1C(=O)Nc1c(ccnc1)C(=O)O	PC-id_64394371	288.322	FAUHUKPADDIATA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049692
s1c2CCCc2cc1C(=O)Nc1ccc(nc1)C(=O)O	PC-id_81690238	288.322	CNKGHWDSPZHQRT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049693
s1c2CCCc2cc1C(=O)Nc1cc(ncc1)C(=O)O	PC-id_63651538	288.322	FZVMVHOTWXWSFT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049694
s1c2CCCc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1	PC-id_9040519	288.322	VDMVMIJIDGFHAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049695
s1c2CCCc2cc1C(=O)Nc1ncc(cc1)C(=O)O	PC-id_61319189	288.322	IINCVJLMVGEFEJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049696
s1c2CCCc2cc1C(=O)Nc1nc(ccc1)C(=O)O	PC-id_63643239	288.322	BIXJYJQOKVHVOX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049697
s1c2CCCc2cc1C(=O)Nc1ncccc1C(=O)O	PC-id_63654619	288.322	RXLLZTIORPBRMH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049698
s1c2CCCc2cc1C(=O)Nc1nccc(c1)C(=O)O	PC-id_64394625	288.322	CJFJQIGFWTUQDB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049699
s1c2c(CCC2)c(c1N)C(=O)c1ccc([N+](=O)[O-])cc1	PC-id_28337433	288.322	GLQIYFYGWIUMBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049700
s1c2c(CCC2)c(c1NC(=O)c1ccncc1)C(=O)O	PC-id_28860259	288.322	GWQJGAOTEMHYFU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049701
s1c2c(CCC2)c(c1N)C(=O)c1cc([N+](=O)[O-])ccc1	PC-id_28337434	288.322	DPMGNKVPBZUGER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049702
s1c2c(CCC2)c(c1NC(=O)c1ncccc1)C(=O)O	PC-id_43328030	288.322	ATGMBJJZHPQTRS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049703
s1c2CCCc2nc1NC(=O)c1c(cccc1)C(=O)O	PC-id_61509119	288.322	UKKBUDHDNBWDOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049704
s1c2CCCc2nc1NC(=O)c1cc(ccc1)C(=O)O	PC-id_61510378	288.322	ZAFJERPQLIMWRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049705
s1c2CCCc2nc1NC(=O)c1ccc(cc1)C(=O)O	PC-id_61510379	288.322	HMBOSGVDSQRANC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049706
S(=O)(=O)(NC(c1n2CCCc2nn1)C)CCC(=O)O	PC-id_43700475	288.323	PNYCFRQFNSFXQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049707
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)CCC(=O)O	PC-id_60951334	288.323	MOWQVMFAUGYNCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049708
S(=O)(=O)(NC(c1n2CCCc2nn1)C)C(C)C(=O)O	PC-id_61455229	288.323	SDWJZJHIJCMSKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049709
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)C(C)C(=O)O	PC-id_61457949	288.323	FIYSEHSPRYMLAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049710
c1(NC(=O)C2=NNC(=O)CC2)sc2c(CCC2)c1C#N	EMOLS-id_322625859,PC-id_60629673,MCULE-5853427218	288.325	NPWBMGYHJRYEPZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-049711
Cc1c(/C=C/2C(=O)Nc3c2cc(s3)CC(=O)N)nc[nH]1	PC-id_139979579	288.325	DEFXPJZRGJJJBO-YWEYNIOJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049712
Cc1ccc(NC(=O)C[C@@H]2Sc3ncnn3C2=O)cc1	ZINC22_556275,PC-id_952351,CoCoCo_5050929	288.325	FTDSSJAKTWIZPG-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-049713
Cc1ccc(NC(=O)C[C@H]2Sc3ncnn3C2=O)cc1	ZINC22_556276,CoCoCo_5050930,PC-id_952352	288.325	FTDSSJAKTWIZPG-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049714
Cc1ccc(S(=O)(=O)N2CCn3ncc(C#N)c23)cc1	CoCoCo_5550517,NSC239372,PC-id_315217,ZINC22_1762826	288.325	LVLOJTXUFSSEAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049715
CCOc1ccc(N/C=c/2sc3ncnn3c2=O)cc1	PC-id_117588287,ZINC22_256055451	288.325	HNAOSCDGXNWRTH-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049716
n12ncnc1SC(CC(=O)Nc1ccc(cc1)C)C2=O	MCULE-7543948129,PC-id_3332346	288.325	FTDSSJAKTWIZPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049717
n12ncnc1sc(=CNc1ccc(cc1)OCC)c2=O	MCULE-7357739266	288.325	HNAOSCDGXNWRTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-049718
N#Cc1c(NC(=O)c2cc3n(n2)CCO3)sc(c1C)C	EMOLS-id_99762980	288.325	WDCYZISKNVFYJE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-049719
NC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)nc1	MCULE-9595298457,PC-id_75418284,ZINC22_63537411,EMOLS-id_48225088	288.325	FCLHMUBBHJLXGB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049720
NC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCC2	ZINC22_28224938,PC-id_35523409,CoCoCo_6452588	288.325	LTVWXXCDCLBVOK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049721
O=C(c1sc2c(c1)CCC2)NNC(=O)c1nccnc1	PC-id_27684437,EMOLS-id_30182298,MCULE-6370497208	288.325	BATMZSSXSYCZQI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049722
c1nnnn1CCC(=O)Nc1sc2CCCc2c1C#N	PC-id_5298125,EMOLS-id_2540563,ZINC22_4727242,CoCoCo_1036106,MCULE-9705128458	288.328	QFELVMABGSMCPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049723
O=C(c1cc2c(s1)[nH]nc2)NC1CC(n2c1ncn2)C	EMOLS-id_318822461	288.328	MQDKMFDURWYNTB-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049724
O=C(c1cn2c(n1)scc2)NCc1nnc2n1CCC2	EMOLS-id_44711707,PC-id_70727905,MCULE-8752018997	288.328	HXIBUAIKLTWHTB-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-049725
s1c2CCCc2c(c1NC(=O)Cn1nc(nc1)N)C#N	PC-id_61117040	288.328	QZQSAHLQXIUHPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049726
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)n1	MCULE-7772052311	288.34	STXPKVKGEWAVKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049727
c1(NC(=O)C=Cc2cccc(F)c2)sc2c(CCC2)n1	MCULE-3667806344	288.34	IKPFRKWRDSWLBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049728
Fc1cccc(/C=C/C(=O)Nc2nc3CCCc3s2)c1	EMOLS-id_181477340,PC-id_47119112	288.34	IKPFRKWRDSWLBE-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049729
Fc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	PC-id_47119070,EMOLS-id_181474822	288.34	STXPKVKGEWAVKT-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049730
FC(c1nnc(s1)NCc1sc2c(n1)CCC2)F	EMOLS-id_318653879,MCULE-5073187652	288.34	LHHRLYYPOGYOCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049731
s1c2CCCc2cc1C(=O)NN=Cc1ccc(F)cc1	PC-id_85015464	288.34	IEUQJYFXEYQHRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049732
s1c2CCCc2cc1C(=O)NN=Cc1cc(F)ccc1	PC-id_85015530	288.34	KSMSYWAJIYZKCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049733
s1c2CCCc2cc1C(=O)NN=Cc1c(F)cccc1	PC-id_85015528	288.34	JTKPTGPCPMGYET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049734
COc1cccc(c1)CCCn1c(c2CCCn2c1=O)O	PC-id_91167423	288.342	IQRXGBWKZJEZLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049735
COc1ccc(Cn2nc3CCC(C)c3c2O)cc1OC	MCULE-5689316303,EMOLS-id_331003309	288.342	VSBOOVUICIQXSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049736
COc1ccc(Cn2nc3CCC(C)c3c2O)c(OC)c1	EMOLS-id_331003565,MCULE-7826602240	288.342	SHFVTRRLTYUUDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049737
COc1ccc(Cn2nc(O)c3C(C)CCc23)cc1OC	MCULE-5835523462,EMOLS-id_330957040	288.342	HGQCOHFDZLTXPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049738
COc1ccc(Cn2nc(O)c3C(C)CCc23)c(OC)c1	EMOLS-id_330957296,MCULE-7592421546	288.342	GQUONZZCNXCTGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049739
N#Cc1ccc(c(c1)F)NCCc1cn2c(n1)SCC2	MCULE-7264156624,EMOLS-id_318682831	288.343	KTWWXTZCFKHHIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049740
N#Cc1cc(F)ccc1NCCc1cn2c(n1)SCC2	EMOLS-id_318663083,MCULE-4275764178	288.343	HCAQFWKDPRDHLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049741
N#Cc1cnc(c(c1)F)NCCc1sc2c(n1)CCC2	MCULE-8452292501,EMOLS-id_318707622	288.343	LICPCISVCWMMKH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049742
N#Cc1c(NCCc2cn3c(n2)SCC3)cccc1F	MCULE-1790264729,EMOLS-id_318555481	288.343	YPIXLFKAYTWSLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049743
OC(=O)C1CCc2c1nc(s2)NS(=O)(=O)C1CC1	PC-id_138673908,SCHEMBL21044474	288.343	VRQWCQXGMBEPBD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049744
S(=O)(=O)([n+]1[nH]c2c(CN(C2)C(=O)OC(C)(C)C)c1)C	PC-id_72164989	288.343	SNEHALFDVXIDSZ-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-049745
c12CN(Cc1nn(CC1CCCCC1)c2C#N)C(=O)OC	EMOLS-id_324354153,MCULE-9613461707	288.345	HMTIBIFVYPAARA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049746
c1(CNC(=O)Cc2c(C)noc2C)c2CCCc2nn1C	PC-id_91819380,MCULE-5532612223,EMOLS-id_53884629,ZINC22_225817711	288.345	XZNVKKACFOPGLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049747
c1(C(=O)NCCCc2c(C)noc2C)c2CCCc2n[nH]1	ZINC22_84808269,MCULE-3657799974,PC-id_119067371,EMOLS-id_82723337	288.345	UJBOKWFMMLACAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049748
Cc1cccc(CN2Cc3[nH]nc(COCCO)c3C2)n1	PC-id_97406021,CHEMBL3552377,ZINC22_96086703,EMOLS-id_46183413	288.345	RENZNFIXMXCXDQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049749
CC(c1c(O)cccc1O)NC(c1nnc2n1CCC2)C	PC-id_107710737	288.345	LSLKXVAVUCSZMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049750
C#CC1(O)CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319179723	288.345	LCRVSBQUPQMFHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049751
CCc1onc(c1CNC(=O)c1n[nH]c2c1CCC2)CC	EMOLS-id_101156615	288.345	LWTVPHHBFVGKEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049752
CCC(c1c(C)noc1C)NC(=O)c1cnn2c1CCC2	EMOLS-id_316915031,MCULE-1905215035	288.345	FKYUSMKUVCBREC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049753
CCC(c1c(C)noc1C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98101221	288.345	KUUOGFYHEZIONT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049754
CCCc1nc(c(o1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319825693	288.345	PYGUHEADHIAMKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049755
CCCc1nc(c(o1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320173664,MCULE-5603739837	288.345	WSFGJZYRSDAYAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049756
CC(C)(C)c1cnc(C(=O)NCc2cnc3n2CCC3)o1	PC-id_146077221,MCULE-9211435793,EMOLS-id_324021869,ZINC22_1875282424	288.345	DKVYQIVQWGHLKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049757
CC[C@@H](NC(=O)c1cnn2c1CCC2)c1c(C)noc1C	ZINC22_566954572	288.345	FKYUSMKUVCBREC-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049758
CC[C@H](NC(=O)c1cnn2c1CCC2)c1c(C)noc1C	ZINC22_566954573	288.345	FKYUSMKUVCBREC-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049759
CCOc1ccc(cc1CO)NC1CC(n2c1ncn2)C	EMOLS-id_258183615,MCULE-6691744440	288.345	HHYORZSEVNXZOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049760
Cn1ncc(c1)CN1Cc2c(C1)nc(o2)COCC1CC1	PC-id_97406045	288.345	ZEHUGIOEIMLSLV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-049761
CN(Cc1ccc(o1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318718927	288.345	GQGOBOWFABUPCV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049762
CN(Cc1ccc(o1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319859574,MCULE-2588587002	288.345	VUXLCBYTDKWSJR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049763
CN(Cc1ccc(o1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319637947	288.345	UTDRHTPMRMFRQR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049764
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccc(o1)C)C)C	PC-id_97519160	288.345	TXVMVLVIVOZXEF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049765
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccoc1C)C)C	PC-id_97519161	288.345	YTXXSXIQZJFQPY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049766
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCc1ccc(C)o1	EMOLS-id_316329271,MCULE-6964435947	288.345	VQKSTWJWSOTCNL-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049767
COc1ccc(cc1)C(CNC1CC(n2c1ncn2)C)O	EMOLS-id_279081547	288.345	OEQGMAGPOHLGNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049768
COc1cccc(c1)C(CNC1CC(n2c1ncn2)C)O	EMOLS-id_279082960	288.345	MPBQOWNXKPJUTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049769
COc1ccccc1C(CNC1CC(n2c1ncn2)C)O	MCULE-7294858601,EMOLS-id_258181836	288.345	WBEWZSFEERKZLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049770
COc1cc(NC2CC(n3c2ncn3)C)cc(c1C)OC	MCULE-7290189322,EMOLS-id_318563329	288.345	JDUULVMFNKKXTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049771
COc1cn(nc1C(NC(=O)c1[nH]c2c(c1)CCC2)C)C	MCULE-3267110091,EMOLS-id_319951812	288.345	KYXXTHGTFWEWAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049772
N#Cc1c(NC(=O)COC2CCCCC2)nc2n1CCC2	ZINC22_1775999687,MCULE-7393922980,EMOLS-id_317005882	288.345	ULMNGTNNQCDMHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-049773
o1c(c(C(=O)NCCc2n3CCCc3nn2)c(c1C)C)C	MCULE-5675919976,EMOLS-id_35706190,PC-id_53518704	288.345	SPUNKLXMNFSBJR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049774
O=C1CC(CN1C1CCCC1)C(=O)N1CCn2c1ccn2	MCULE-8250931362,EMOLS-id_316052380	288.345	KYSQIVXAJNVXOO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049775
O(c1cc(CNC(c2n3CCCc3nn2)C)ccc1O)C	PC-id_43748060	288.345	KMCPYLNRXCCMHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049776
Oc1c(CNC(c2n3CCCc3nn2)C)cccc1OC	PC-id_43748147	288.345	KDGNEHJIDJVULD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049777
Oc1c(C(NC(c2n3CCCc3nn2)C)C)ccc(O)c1	PC-id_43748160	288.345	PWAFMZKCBQILFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049778
Oc1c(C(NC(c2n3CCCc3nn2)C)C)cc(O)cc1	PC-id_43748132	288.345	GJMORVAEKNNVPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049779
Oc1c(CNC(c2n3CCCc3nn2)C)ccc(OC)c1	PC-id_61263074	288.345	NWFUHYUFCVZDPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049780
Oc1c(CNC(c2n3CCCc3nn2)C)cc(OC)cc1	PC-id_43748029	288.345	DCHMUJQFUIVMEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049781
Oc1cc(O)cc(c1)C(NC(c1nnc2n1CCC2)C)C	PC-id_107705956	288.345	PXDIGDJPVHADQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049782
O(c1c(O)cc(CNC(c2n3CCCc3nn2)C)cc1)C	PC-id_43748064	288.345	XFDPYBZVCLMDPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049783
O=C(c1coc(n1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319039604	288.345	DHARCGWTKGOVAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049784
O=C(c1coc(n1)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319086771	288.345	CNNFRWBNVLMCRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049785
O=C(c1nc(oc1C)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101551361	288.345	FBOJJZVZQIXZLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049786
O=C(c1nc(oc1C)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319807380	288.345	RYSBERPLHCKYDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049787
O=C(c1oc(nc1C)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101551343	288.345	WZCDREDXHHPORD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049788
O=C(c1oc(nc1C)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318850038	288.345	HJJRSWXTNCKTRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049789
O=C(c1oc(nc1C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319354370	288.345	ADKWKXSRDJTGQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049790
O=C(C(c1c(C)noc1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320045920,MCULE-9287928948	288.345	BPTRTGXPARPCLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049791
O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCn2nccc12	ZINC22_367500240	288.345	KYSQIVXAJNVXOO-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049792
O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCn2nccc12	ZINC22_367500241	288.345	KYSQIVXAJNVXOO-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-049793
O=C(Nc1n(C)nc2c1CCC2)CCc1c(C)noc1C	EMOLS-id_97741311	288.345	FXNFDPAGEHYXCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049794
O=C(N(Cc1ccoc1C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318765185	288.345	OQJKIAKHFJBRAM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049795
O=C(NCc1cnc2n1CCC2)CCc1c(C)noc1C	EMOLS-id_320276617,MCULE-4490439395	288.345	BHGYJMIOVWIKKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049796
c1(CN(C)CC(=O)Nc2ccn(C)n2)c2CCCc2[nH]n1	MCULE-6946685740,ZINC22_244882454,PC-id_91832117,EMOLS-id_55627900	288.348	XRYYGYCIVIECKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049797
c1(C(=O)NCc2nnc3CCCn23)cn(nc1C)CCC	EMOLS-id_232860155,MCULE-5818192679,ZINC22_823031353	288.348	WJXDZVRCFPMSNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049798
c1(C(=O)NCCCn2c(C)nc(C)n2)c2CCCc2n[nH]1	PC-id_119065666,EMOLS-id_82718847,MCULE-3071141504,ZINC22_426500069	288.348	HVIGZYHTMXDNQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049799
Cc1cc(C)n(CC(=O)N(C)Cc2nnc3n2CCC3)n1	ZINC22_48332291,PC-id_53498341,MCULE-6435145917,EMOLS-id_35706592	288.348	KOWUJKRKSVREIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049800
Cc1cc(C)n(CC(=O)N[C@H](C)c2nnc3n2CCC3)n1	PC-id_95156636,ZINC22_65593338	288.348	PHKKERQEDMGLMK-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049801
Cc1cc(C)n(CC(=O)N[C@@H](C)c2nnc3n2CCC3)n1	ZINC22_65593337,PC-id_95156635	288.348	PHKKERQEDMGLMK-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-049802
Cc1cc(N)n(CC(=O)N(C)Cc2n[nH]c3c2CCC3)n1	MCULE-5657547592,ZINC22_219210682,PC-id_91768643,EMOLS-id_55627196	288.348	HUEJMXIDXDYZJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049803
Cc1nn(C)c(C)c1CC(=O)NCc1nnc2n1CCC2	ZINC22_26948539,PC-id_34240854,EMOLS-id_35689938,MCULE-9650414636	288.348	HTPXZMRRTLJZTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049804
CCc1n(CC)nnc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319062279	288.348	HUXVWKXZIPHURU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049805
CCc1n(CC)nnc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319600921	288.348	KNIVLRRYZCPGPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049806
CC(Cc1cc(n(n1)C)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319621891	288.348	WTKSIHGXKZIGIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049807
CC(CC(c1[nH]nnn1)NC(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_319199232	288.348	RACNQKMICLSHPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049808
CC(CCn1ccc(n1)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319186650	288.348	JTKCKGNKMKZODN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049809
CC(C)n1cc(NC(=O)NCc2n[nH]c3c2CCC3)cn1	MCULE-9661636139,EMOLS-id_68937058,ZINC22_299800875,PC-id_118793537	288.348	WFMVWJSCQDYPKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049810
CC(C(n1cnnc1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_319458493	288.348	XPBQHSOFRYLFQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049811
CC(C(n1cnnc1)C(=O)NCc1nn2c(c1)CCC2)C	MCULE-5553906162,EMOLS-id_319997984	288.348	XNCQAPCVFKVIRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049812
CC(C(n1cnnc1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319221248	288.348	GNRZIJBORBGDFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049813
CCC(n1nc(cc1C)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318488892,MCULE-7390406198	288.348	DJWMNQWNLPKSSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049814
CCC(n1ncc(c1C)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318585566,MCULE-9690186577	288.348	GPCVQQAFHJHZGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049815
CCCn1nnc(c1)CNC(=O)c1n(C)nc2c1CCC2	MCULE-3169598666,EMOLS-id_320174472	288.348	DPYWUKFXYWMNJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049816
CC(CN(C(=O)c1[nH]c2c(c1)CCC2)Cc1[nH]nnn1)C	EMOLS-id_319469294	288.348	TXTKTFOYAFQUHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049817
CCn1nc(c(c1C)CNC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318899456	288.348	LLPZSMVSKRRJLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049818
CCn1nc(cc1C)C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_319194378	288.348	QGTPQKUYHUSGLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049819
CCNC(=NCc1cocc1)NCc1nnc2n1CCC2	PC-id_119117064	288.348	AXNLLMMVIOTNNW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049820
CCNC(=NCc1nnc2n1CCC2)NCc1ccco1	PC-id_110938802	288.348	KFFSJVZOVWXJCY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049821
CN(C1C=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=C1)N)C	SCHEMBL13680055,PC-id_57831920	288.348	ACWDYFWXPMQKED-GZTJUZNOSA-N	00000010100011000001000010000000000000000000000000000000	25-01-049822
CN(C)c1cc(c(cc1)Nc1c(n2CCCn2c1=O)N)N	PC-id_91058604	288.348	TXRAAGWPOWTLET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049823
CN(CCn1cnc(n1)NC(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_319454828	288.348	XVUMQTNSQJDNAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049824
CN=C(NCc1nnc2n1CCC2)NCCc1ccco1	PC-id_111020443	288.348	DNLNUOOSBLWPKV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-049825
O=C(c1ncn(n1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319805800	288.348	XHCNMXQVPUDHFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049826
O=C(c1nnn(c1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318797466	288.348	PPPRPDPBHSVLLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049827
O=C(c1nnn(c1)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319018989	288.348	XFWTXWIJZVSGCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049828
O=C(C(C)(C)C)Nc1cnn(c1)Cc1nnc2n1CCC2	EMOLS-id_318854042	288.348	PMKVNLMOLPPKGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049829
O=C(Cn1ccnc1C(C)C)NC1CC(n2c1ncn2)C	EMOLS-id_316674311	288.348	ADLFJYZNIPRGRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049830
O=C(Cn1nc(cc1C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_35706344,MCULE-9666122841,PC-id_53518080	288.348	PHKKERQEDMGLMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049831
O=C(N(Cc1n2CCCc2nn1)C)c1n(CC)cc(N)c1	PC-id_61107838	288.348	HXKIUTIRMYMYBU-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-049832
Cc1nc(N2CCN(C[C@H]3CCc4ncnn34)CC2)n[nH]1	ZINC22_931628413	288.352	BPCXHGSUJOMVGV-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-049833
Cc1nc(N2CCN(C[C@@H]3CCc4ncnn34)CC2)n[nH]1	ZINC22_931628415	288.352	BPCXHGSUJOMVGV-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-049834
Cc1[nH]nc(n1)N1CCN(CC1)CC1CCc2n1ncn2	PC-id_146139411	288.352	BPCXHGSUJOMVGV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-049835
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1CO	EMOLS-id_330990780,MCULE-6179018083	288.36	YZCKWOINIJISMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049836
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1CO	EMOLS-id_330991805,MCULE-7940911856	288.36	VUDIDVJERPRFKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049837
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1CO	MCULE-2899697487,EMOLS-id_330991545	288.36	ZBGQZUOWVGBQEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049838
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1CO	MCULE-8069148097,EMOLS-id_330991292	288.36	XITAHKAEXAOULK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049839
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1CO	EMOLS-id_330991036,MCULE-7850165381	288.36	HQSCZHLYZQKUKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049840
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1CO	EMOLS-id_330991289,MCULE-9959252559	288.36	JTAQHYVGHCYNOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049841
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1CO	EMOLS-id_330991803,MCULE-2768685590	288.36	QHQJDCKQFLFRRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049842
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1CO	MCULE-3074967857,EMOLS-id_330992059	288.36	YQOFKNFTUVUGLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049843
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1CO	MCULE-3400613290,EMOLS-id_330991549	288.36	OBKFAASMJAWKNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049844
COc1cccc(c1C(=O)c1sc2c(c1)CCC2)OC	PC-id_115813445	288.361	CICZOGGYQLRHJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049845
COc1ccc(c(c1)OC)C(=O)c1sc2c(c1)CCC2	PC-id_114971243	288.361	JRZKYCCFNXMNMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049846
COc1cc(OC)cc(c1)C(=O)c1sc2c(c1)CCC2	PC-id_115785477	288.361	GCYKCNPZIUSECM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049847
OC(=O)CCc1ccc(cc1)OC1CCc2c1ccs2	PC-id_57542003,SCHEMBL1746755	288.361	NEBGNKHCSQVVPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049848
O=C(OCCOc1ccccc1)c1cc2c(s1)CCC2	ZINC22_2650041,EMOLS-id_3194848,CoCoCo_2840753,PC-id_2113184,MCULE-1971698940	288.361	IEWKBTDLIWDYIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049849
s1c2CCCc2cc1C(=O)c1cc(OC)c(OC)cc1	PC-id_43463047	288.361	RGXPKMKEIGLFPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049850
s1c2CCCc2cc1C(=O)c1c(OC)ccc(OC)c1	PC-id_43462547	288.361	WDDYHBJYKWBAHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049851
c12CN(Cc1nn(CCF)c2CNC)Cc1ccccc1	MCULE-4354316402,EMOLS-id_324350820	288.363	NRAATYROZYQNNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049852
CC1CC(c2n1ncn2)NCC(c1ccc(cc1)F)(C)C	EMOLS-id_318725169,MCULE-7607947438	288.363	PQLORCKCCHCNHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049853
CC(c1cc(C)c(c(c1)C)F)NCc1nnc2n1CCC2	EMOLS-id_318535326,MCULE-3959642722	288.363	FDQQIGDLXKJRKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049854
CC(C(c1ccc(cc1)F)NC1CC(n2c1ncn2)C)C	EMOLS-id_318455088,MCULE-2061674181	288.363	KTOPJFSVMDNBDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049855
CC(Cc1ccccc1F)NC(c1nnc2n1CCC2)C	PC-id_114829124	288.363	ASFQVKITSZCXGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049856
CCC(c1cccc(c1)F)NC(c1nnc2n1CCC2)C	PC-id_114871353	288.363	PMQALHBCBZYOJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049857
CCC(c1ccccc1F)NC(c1nnc2n1CCC2)C	PC-id_115994325	288.363	VOUXRGFFULKZGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049858
CC(C(c1ccc(cn1)F)NC1CC(n2c1ncc2)C)C	MCULE-9319677628,EMOLS-id_318555566	288.363	KHRNNJAGPXZKQN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049859
CCCCS(=O)(=O)N1Cc2c(C1)nc(o2)COCC	PC-id_97520323	288.363	MRDAQJGQZXVYFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049860
CC[C@@H](c1ccc(c(c1)F)C)NC1CC(n2c1ncn2)C	EMOLS-id_318506377,MCULE-9455838449	288.363	WKFDHKMJMYYFKD-WPBUFGDCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049861
CC(NC(c1nnc2n1CCC2)C)Cc1cccc(c1)F	PC-id_116082838	288.363	IZZUZVCDZAOZPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049862
CC(NC(c1nnc2n1CCC2)C)Cc1ccc(cc1)F	PC-id_116082861	288.363	QVPQUFPUTUKTRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049863
CN(Cc1ccc(cc1F)NC1CC(n2c1ncc2)C)C	EMOLS-id_318652695,MCULE-8607895230	288.363	YKVHEFLDPRZZLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049864
CN(CC(c1ccc(cc1)F)NC1CCn2c1ncc2)C	EMOLS-id_318083583	288.363	ZOGLHXMOMHGTNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049865
Fc1ccccc1C(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_318578064,MCULE-8537538644	288.363	BJDBPQDZJULBTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049866
Fc1cccc(c1)C(CNC1CC(n2c1ncn2)C)(C)C	MCULE-2389627204,EMOLS-id_318618722	288.363	ZFBJVAMYCLLKDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049867
Fc1ccc(c(c1)C(NC1CCn2c1ncc2)C)N(C)C	EMOLS-id_318516825,MCULE-9850323798	288.363	YAFREUAOVKNIPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049868
Fc1ccc(c(c1)CNC1CC(n2c1ncc2)C)N(C)C	EMOLS-id_318682118,MCULE-2234328623	288.363	ONLUQFIFWZDHLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049869
Fc1ccc(C(NC(c2n3CCCc3nn2)C)CC)cc1	PC-id_43748170	288.363	ORIJYAREMDFUHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049870
Fc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1C	PC-id_80204713	288.363	CCFOGUUNJXVTCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049871
c12CN(Cc1sc(N)c2C(=O)OC)Cc1ccccc1	PC-id_71777880,MCULE-4038237295,ZINC22_90397475,EMOLS-id_45814549	288.365	YPTSSVCGUIVCCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049872
c1(c2CCCc2sc1N)C(=O)Nc1ccc(cc1)OC	EMOLS-id_1990230,TIMTEC71457,CoCoCo_678335,MCULE-3682436422,PC-id_696419,ChEMBL-DNDi_CHEMBL8008-9977,ZINC22_71531	288.365	BDNAYJJPTCRZFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049873
c1(c2CCCc2sc1N)C(=O)Nc1ccccc1OC	MCULE-9747283258,Chemmine_27609,PC-id_776044,CoCoCo_677847,ZINC22_265241,ChEMBL-DNDi_CHEMBL5668992,EMOLS-id_1990220,ChEMBL-DNDi_CHEMBL2501-0809,CK1666566	288.365	JDZKBMFIFARPOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049874
c1(c2CCCc2sc1N)C(=O)Nc1cccc(OC)c1	CoCoCo_6779807,MCULE-6331502133,EMOLS-id_3785100,TIMTEC360393,ZINC22_2513465,PC-id_17385368	288.365	ONRDKXUSZRGWHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049875
c1(NC(=O)Cc2ccccc2OC)sc2c(CCC2)n1	MCULE-3568573550,EMOLS-id_323390416,PC-id_4589420	288.365	XUYUULYHOZRGKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049876
c1(NC(=O)CCOc2ccccc2)sc2c(CCC2)n1	MCULE-8673870106,EMOLS-id_334660826	288.365	IXMDSBGESNYLDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049877
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCC2)n1	MCULE-2718037387,PC-id_47119141,EMOLS-id_181473908	288.365	RYKLQGPLOFANSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049878
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)OCC	MCULE-2846838716,PC-id_3601254,EMOLS-id_334661842	288.365	AIKDIYMMYCBUTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049879
c1(sc2c(CCC2)n1)NC(=O)c1ccccc1OCC	MCULE-4425560536,EMOLS-id_323474201,PC-id_4213203	288.365	RGWQSNAXKPSXKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049880
c1(sc2c(CCC2)n1)NC(=O)c1cccc(OCC)c1	PC-id_47299500,MCULE-1048459011,EMOLS-id_181476525	288.365	YQJGRCOVMOREBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049881
c1(snc2CCCc12)NC(=O)c1ccc(cc1)OCC	MCULE-8863351497,PC-id_54774457	288.365	FCHQOMMIIBTMNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049882
CC1c2c(CO1)sc(c2C(=O)Nc1ccc(cc1)C)N	PC-id_135200330,SCHEMBL20353911	288.365	HPIWXRCHZNFADS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049883
CC1=Cc2c(C1)n(nc2C)S(=O)(=O)c1ccc(cc1)C	SCHEMBL5999032,PC-id_69630869	288.365	XSNYQZBAUMCFKA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-049884
Cc1ccccc1OCC(=O)Nc1nc2c(s1)CCC2	CoCoCo_4164076,MCULE-6472822161,ZINC22_15636448,EMOLS-id_17203831,PC-id_24245202	288.365	LXNSWQJGPRVTGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049885
Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC3)c1	EMOLS-id_24132048,ZINC22_13024229,CoCoCo_4164106,MCULE-2670764375,PC-id_25677062	288.365	NKLFRAKKWOOIKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049886
Cc1cc(CNC(=O)c2sc3c(c2)CCC3)cc(=O)[nH]1	EMOLS-id_278934382	288.365	VAAPDDLSFWQVCB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049887
Cc1cc(NCc2sc3c(c2)CCC3)cc(c1)[N+](=O)[O-]	PC-id_115981279	288.365	WNSGFUJTVLACEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049888
Cc1[nH]cc(c(=O)c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_103717831	288.365	VDIHVGBNALHWQW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049889
CCc1ccc(cc1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287626	288.365	DBQJSKLXSJSHPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049890
CCc1ccccc1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287630	288.365	NQKPYGBHUANLAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049891
CCc1cccc(c1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287645	288.365	NCRRCQKKSKCNNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049892
CCN(c1nc2c(s1)CCC2C(=O)O)c1ccccc1	PC-id_104287701	288.365	FMZIUBHTBHTRIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049893
CCOc1ncccc1NC(=O)c1cc2c(s1)CCC2	CoCoCo_4873891,ZINC22_27515196,EMOLS-id_29605503,MCULE-2493524794,PC-id_34879706	288.365	DXNMKCNEFPQOJK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049894
CCOC(=O)C1CCc2c1nc(s2)Cc1ccccn1	PC-id_104287184	288.365	LVKWAVVZLRZDKU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049895
CCOC(=O)C1CCc2c1nc(s2)Cc1cccnc1	PC-id_104287202	288.365	PYSMONLMVOHZRJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049896
CCOC(=O)C1CCc2c1nc(s2)Cc1ccncc1	PC-id_104287203	288.365	UXZDWHOCNIIOAR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049897
CCOC(=O)C1CCc2c1nc(s2)Nc1ccccc1	PC-id_104287428	288.365	ZCSYTMHOQCWLGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049898
COc1ccc(cc1)CSC1CCn2c1cnc2C=O	PC-id_139819160	288.365	PXTNPGNHANASFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049899
COc1ccc(cc1N)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_301244788,PC-id_43599929,MCULE-6431543409	288.365	QKBSPKCSLVPTTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049900
COc1cccc(CC(=O)Nc2nc3c(s2)CCC3)c1	PC-id_16291335,CoCoCo_4164085,MCULE-6363107018,EMOLS-id_11708325,ZINC22_8736513	288.365	IBZNYNUZVCMZTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049901
COc1ccc(CC(=O)Nc2nc3CCCc3s2)cc1	PC-id_4661862,MCULE-4105836662,CoCoCo_4164049,ZINC22_6469382,EMOLS-id_11937661	288.365	CVFSYWDZZLSIRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049902
COc1ccc(N(C)C(=O)c2cc3c(s2)CCC3)cn1	ZINC22_58270735,MCULE-4137835956,PC-id_71935582,EMOLS-id_44504906	288.365	RLMHTPMSQCMRGE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049903
COc1cc(CNC(=O)c2cc3c(s2)CCC3)ccn1	MCULE-2230955168,ZINC22_24438906,EMOLS-id_33344597,PC-id_31816023	288.365	SYPDUXZVDVOWNN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049904
COc1ncccc1CNC(=O)c1cc2c(s1)CCC2	MCULE-1126497034,CoCoCo_4780283,EMOLS-id_31890359,ZINC22_30305954,PC-id_37485585	288.365	DFGFPRMWNZVBSI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049905
COCc1ccc(cn1)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2460465,PC-id_21955874	288.365	JDOFLOYPAHSUDA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049906
COC(=O)c1cccc(NCc2nc3c(s2)CCC3)c1	MCULE-5146835254,ZINC22_97234064,PC-id_86783996,EMOLS-id_49923320	288.365	LLNWQFLHRIJVEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049907
COC(=O)c1ccnc(c1)NCc1sc2c(c1)CCC2	PC-id_108380023	288.365	YNDVSEPZDUWFKA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049908
C(=O)(Nc1sc2CCCc2c1C#N)C1CCC(=O)CC1	MCULE-2568588247,EMOLS-id_327915239	288.365	IJQDDNNVXOZVDE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-049909
Oc1ccc(c(c1)C(=O)NCc1sc2c(c1)CCC2)N	PC-id_107074810	288.365	NQIBUNLYHVCUIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049910
O=C(c1cccc(c1O)N)NCc1sc2c(c1)CCC2	PC-id_104204882	288.365	IHJXRUNYGBVRIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049911
O=C(c1ccc(c(c1)O)N)NCc1sc2c(c1)CCC2	PC-id_107074809	288.365	IMXWHFNSJIJEJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049912
O=C(c1sc2c(c1)CCC2)Nc1c(C)noc1C1CC1	EMOLS-id_99402186	288.365	DBWUWMTTWPULJM-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-049913
O=C(Cc1ccc(cc1C)O)Nc1sc2c(n1)CCC2	EMOLS-id_319513715	288.365	FVYOQYWPALNRLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049914
OCC(c1ccccn1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_316584783	288.365	LWWVAENCZDPREV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049915
O=C(CCc1ccccc1O)Nc1nc2c(s1)CCC2	EMOLS-id_31875482,MCULE-3847910904,PC-id_33039912,CoCoCo_4626356,ZINC22_25768236	288.365	DMRROQLXXBEIBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049916
O=C(CCSc1ccccc1)O[C@@H]1CCn2ccnc12	ZINC22_888099551	288.365	PZUJGMFLNRDXKF-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049917
O=C(CCSc1ccccc1)O[C@H]1CCn2ccnc12	ZINC22_888099553	288.365	PZUJGMFLNRDXKF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049918
O=C(COCc1ccccc1)Nc1nc2c(s1)CCC2	ZINC22_40466647,PC-id_45797491,CoCoCo_4164334,MCULE-3409069405,EMOLS-id_31854637	288.365	QKZCQZXOZYDUBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049919
O=C(N1CCC[C@H]1c1ccon1)c1sc2c(c1)CCC2	EMOLS-id_319519314	288.365	CJMRSFPOTJFSGB-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-049920
O=C(Nc1sc2c(n1)CCC2)CCc1cccc(c1)O	EMOLS-id_319085058	288.365	PGAZKHSSMADJRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049921
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1C)C	PC-id_104287577	288.365	OWGCKGHYVLFVHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049922
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1C)C	PC-id_104287651	288.365	RUMZGBRIDLXTDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049923
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)C)C	PC-id_104287666	288.365	JERHUKBKQHEEJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049924
OC(=O)C1CCc2c1nc(s2)N(c1cccc(c1)C)C	PC-id_104288166	288.365	BBQJCTBPMVFLFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049925
OC(=O)C1CCc2c1nc(s2)N(c1ccc(cc1)C)C	PC-id_104288214	288.365	KOROUEBIESDVGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049926
OC(=O)C1CCc2c1nc(s2)N(c1ccccc1C)C	PC-id_104288251	288.365	JGXXUHSXYAJYEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049927
OC(=O)C1CCc2c1nc(s2)Nc1cc(C)ccc1C	PC-id_104287567	288.365	QGOYHMQWFULKGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049928
OC(=O)C1CCc2c1nc(s2)Nc1cc(C)cc(c1)C	PC-id_104287620	288.365	DQVMXCVNPRWSDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049929
OC(=O)C1CCc2c1nc(s2)Nc1c(C)cccc1C	PC-id_104287643	288.365	HMOLDCBUYALAAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049930
OC(=O)C1CCc2c1nc(s2)NC(c1ccccc1)C	PC-id_104287484	288.365	FLQKICGFDBYEAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049931
OC(=O)C1CCc2c1nc(s2)NCc1ccc(cc1)C	PC-id_104287647	288.365	UJDSPBVQQHMOOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049932
OC(=O)C1CCc2c1nc(s2)N(Cc1ccccc1)C	PC-id_104287758	288.365	NMASXZMQPDZTOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049933
OC(=O)C1CCc2c1nc(s2)NCc1ccccc1C	PC-id_104288039	288.365	OCPANOSYQQROOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049934
OC(=O)C1CCc2c1nc(s2)NCc1cccc(c1)C	PC-id_104288043	288.365	PKAUEYUQZOVFFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049935
OC(=O)C1CCc2c1nc(s2)NCCc1ccccc1	PC-id_104287573	288.365	KKZXPJAKMQEYKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049936
OC(=O)c1cccc(n1)CNCc1sc2c(c1)CCC2	PC-id_106904536	288.365	LAJPXFGHBXHVOY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049937
O=C(OC1CCn2c1ncc2)CCSc1ccccc1	MCULE-9592609472,EMOLS-id_316938301	288.365	PZUJGMFLNRDXKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049938
[O-][N+](=O)c1c(cccc1C)NCc1sc2c(c1)CCC2	PC-id_108116999	288.365	AUZXTEMGVPWBFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049939
s1c2c(CCC2)cc1CNc1c(cccc1[N+](=O)[O-])C	PC-id_78918377	288.365	XQCGSINIHCAYIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049940
s1c2CCCc2cc1CNc1c(ccc([N+](=O)[O-])c1)C	PC-id_62589769	288.365	MLSMLEVAZXEYJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049941
s1c2CCCc2cc1CNc1c(cc([N+](=O)[O-])cc1)C	PC-id_61208582	288.365	FUAWDAFHGPNXMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049942
s1c2CCCc2cc1CNc1cc(c([N+](=O)[O-])cc1)C	PC-id_61208766	288.365	JQYGNTLEZQKKDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049943
s1c2CCCc2cc1CNc1cc(ncc1)C(=O)OC	PC-id_66287446	288.365	DKQJCTCMEWCUNM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049944
s1c2CCCc2cc1CNc1cc([N+](=O)[O-])c(cc1)C	PC-id_62912638	288.365	ILDSKBOVTQHQOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049945
s1c2CCCc2cc1CNc1c(c([N+](=O)[O-])ccc1)C	PC-id_63076746	288.365	WJIALTCWWBYJTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049946
s1c2CCCc2cc1CNc1c([N+](=O)[O-])cc(cc1)C	PC-id_61208584	288.365	YYMMQGWDYQNEQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049947
s1c2CCCc2cc1CNc1c([N+](=O)[O-])ccc(c1)C	PC-id_80072695	288.365	PLFSYTMDRQRTPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049948
s1c2CCCc2cc1CNc1ncccc1C(=O)OC	PC-id_62000296	288.365	RHANHNWEUKBUDJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049949
s1c2c(CCC2)cc1C(N)Cc1ccc([N+](=O)[O-])cc1	PC-id_61080344	288.365	RASUXNCYVPPGAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049950
s1c2c(CCC2)cc1CNCc1ccc([N+](=O)[O-])cc1	PC-id_61206836	288.365	PMVATASQQORVBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049951
s1c2c(CCC2)cc1CNCc1cc([N+](=O)[O-])ccc1	PC-id_61206835	288.365	UCGMVPFXQVXBRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049952
s1c2c(CCC2)cc1C(N)Cc1c([N+](=O)[O-])cccc1	PC-id_61079406	288.365	QYLPOBCBKQPJMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049953
s1c2c(CCC2)cc1CNCc1c([N+](=O)[O-])cccc1	PC-id_61207022	288.365	GKLCAUIDLWLYSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049954
s1c2CCCc2cc1CNCc1ncc(cc1)C(=O)O	PC-id_80155072	288.365	ZAWNZHCECHXKGR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049955
s1c2CCCc2cc1C(=O)Nc1cc(OC)c(N)cc1	PC-id_61241592	288.365	AYXLVPCNDSEYGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049956
s1c2CCCc2cc1C(=O)Nc1c(N)ccc(OC)c1	PC-id_63258044	288.365	SZJLZPDXTQAWIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049957
s1c2CCCc2cc1C(=O)Nc1c(N)cc(OC)cc1	PC-id_20112498	288.365	ODZKXKONZHOBDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049958
s1c2CCCc2cc1C(=O)Nc1c(OC)ccc(N)c1	PC-id_20118448	288.365	GSEDOESDCMCQFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049959
s1c2CCCc2cc1C(=O)Nc1c(OC)cc(N)cc1	PC-id_20113477	288.365	WYQLAXBFSVCAPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049960
s1c2CCCc2cc1C(=O)NCc1ccc(OC)nc1	PC-id_47136687	288.365	LATSRXCUUZYDSV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-049961
s1c2CCCc2cc1C(=O)NCc1c(O)ccc(N)c1	PC-id_43548656	288.365	GDBIIDOGYPDXIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-049962
s1c2c(CCC2)c(c1N(CC(C)C(=O)O)CC#C)C#N	PC-id_82310538	288.365	PYBJXYDNESSAOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-049963
s1c2CCCc2nc1NC(=O)c1ccc(cc1)COC	PC-id_33039848	288.365	WZAOLTZZFUCTNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049964
s1c2CCCc2nc1NC(=O)c1cc(COC)ccc1	PC-id_33040143	288.365	XBKWEIQPVCYRJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049965
s1c2CCCc2nc1NC(=O)c1cc(OC)c(cc1)C	PC-id_30796784	288.365	ZCRMKDFTZCPOOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049966
s1c2CCCc2nc1NC(=O)[C@@H](Oc1ccccc1)C	PC-id_7984847	288.365	NNJDCHXGEPISIY-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-049967
s1c2CCCc2nc1NC(=O)[C@H](Oc1ccccc1)C	PC-id_7984853	288.365	NNJDCHXGEPISIY-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049968
s1c2CCCc2nc1NC(=O)C(Oc1ccccc1)C	PC-id_3302085	288.365	NNJDCHXGEPISIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049969
S1Cc2c(nn(C(C)C)c2OC(=O)c2ccccc2)C1	PC-id_59050196	288.365	HKMWJFFIMLFQGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049970
S1Cc2c(noc2NC(=O)C(CC)c2ccccc2)C1	PC-id_45505273	288.365	HUOWGJSEFGQSRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049971
S1Cc2c(noc2NC(=O)CCCc2ccccc2)C1	PC-id_49719082	288.365	CBSZOEYYSOUEAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049972
S1Cc2c(noc2NC(=O)[C@@H](CC)c2ccccc2)C1	PC-id_51896516	288.365	HUOWGJSEFGQSRS-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-049973
S1Cc2c(noc2NC(=O)[C@H](CC)c2ccccc2)C1	PC-id_51896517	288.365	HUOWGJSEFGQSRS-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049974
S(c1ccc(CC(=O)Nc2onc3CCCc23)cc1)C	PC-id_16942412	288.365	BDRUKQKRJIITFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049975
S(CCC(=O)Nc1onc2CCCc12)c1ccccc1	PC-id_16942362	288.365	PEMJUQWKVKFUKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049976
S(CC(=O)Nc1onc2CCCc12)c1ccc(cc1)C	PC-id_16942370	288.365	WZWFBAOXEWCIAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049977
COCCNCCNS(=O)(=O)c1cnc2n1CCC2	PC-id_120876045,MCULE-2645014771,EMOLS-id_302859672	288.366	UIWJBYMUNMTPFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-049978
c1(NC(=O)CCc2cccnc2)n(C)nc2CSCc12	EMOLS-id_316266268,MCULE-3139016328,ZINC22_1506400081	288.368	HVJWBHFAMVNISZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049979
c1(NC(=O)CCCc2ccccc2)nnc2SCCn12	CoCoCo_2590536,MCULE-4161590324,EMOLS-id_16349487,PC-id_22582976	288.368	VFUWAHUHAFPOSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049980
c1(nnc2SCCn12)NC(=O)C(CC)c1ccccc1	EMOLS-id_16349481,PC-id_16031435,MCULE-7199526524	288.368	NVAAZSIUNLWCAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049981
c1(sc2c(CNC2)n1)NC(=O)c1cccc(N(C)C)c1	PC-id_82194080,MCULE-6569441729	288.368	ZBCSWTJCRCNMBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049982
Cc1ccsc1/C=C/C(=O)NCc1nnc2n1CCC2	ZINC22_32906568,PC-id_40143080,CoCoCo_4658147	288.368	KBJBVQOCVPHEPO-SNAWJCMRSA-N	00000010100100000001000010000000000000000000000000000000	25-01-049983
Cc1nc(NNC(=O)c2sc3c(c2)CCC3)nc(c1)C	MCULE-9283958187,EMOLS-id_35692434,PC-id_53518990	288.368	VJKOXGHJVSMMMX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-049984
CCc1nc(N)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104146600	288.368	HURXSBDADJAKQP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049985
CCC(CC)c1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324853986	288.368	IEFYCMQFOHZFFN-FLIBITNWSA-N	00000000110000000001000010000000000000000000000000000000	25-01-049986
CC[C@H](C(=O)Nc1nnc2n1CCS2)c1ccccc1	ZINC22_8600621,CoCoCo_2590532	288.368	NVAAZSIUNLWCAM-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-049987
CC[C@@H](C(=O)Nc1nnc2n1CCS2)c1ccccc1	ZINC22_8600622,CoCoCo_2590533	288.368	NVAAZSIUNLWCAM-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-049988
CCNc1cccnc1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318380113	288.368	DOFVTTXEPNIEPW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049989
CCNc1ccc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104640910	288.368	XWQPAHLFJAZPMJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049990
CCNc1cnccc1C(=O)Nc1sc2c(n1)CCC2	PC-id_105069512	288.368	MIZDYFCRGBAXSQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049991
Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nc3c(s2)CCC3)cn1	PC-id_95153001,ZINC22_65565083	288.368	SXRJTJJFPWAYLF-VHSXEESVSA-N	00100010100000000001100010000000000000000000000000000000	25-01-049992
Cn1cc([C@H]2C[C@H]2C(=O)Nc2nc3c(s2)CCC3)cn1	ZINC22_64458366,PC-id_95050522	288.368	SXRJTJJFPWAYLF-NXEZZACHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-049993
Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2nc3c(s2)CCC3)cn1	ZINC22_65565081,PC-id_95152999	288.368	SXRJTJJFPWAYLF-UWVGGRQHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-049994
Cn1cc([C@H]2C[C@@H]2C(=O)Nc2nc3c(s2)CCC3)cn1	ZINC22_65565082,PC-id_95153000	288.368	SXRJTJJFPWAYLF-ZJUUUORDSA-N	00100010100000000001100010000000000000000000000000000000	25-01-049995
Cn1ncc(c1)C1CC1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_35739001,PC-id_53546702,MCULE-6271035589	288.368	SXRJTJJFPWAYLF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-049996
CN(c1cccnc1C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_278498260	288.368	FMBVZLOSTKBRFP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049997
CNc1nc(C)ccc1C(=O)Nc1sc2c(n1)CCC2	MCULE-7960711355,EMOLS-id_316444070	288.368	CGMANJKTGRNGEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049998
CNc1nc(C)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104126934	288.368	BHUSGGDMSVJCGG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-049999
CN(Cc1nnc2n1CCC2)C(=O)/C=C/c1cccs1	PC-id_45802677,CoCoCo_4491573,ZINC22_40481299	288.368	POSTXAFUEZEKKV-VOTSOKGWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050000
CSc1ccccc1C(=O)NCc1nnc2n1CCC2	EMOLS-id_17193782,ZINC22_25049980,MCULE-7764850420,CoCoCo_4474341,PC-id_24242263	288.368	MCCZQMVSIKRCPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050001
CSc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	CoCoCo_4560492,MCULE-2809594131,PC-id_25598989,EMOLS-id_18896857,ZINC22_12913258	288.368	VLWVCDHBPRKOKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050002
CSCc1ccccc1NC(=O)N1CCn2c1ncc2	EMOLS-id_318469034	288.368	IXRPAMIBPTVRIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050003
CSCc1ccc(cc1)NC(=O)N1CCn2c1ncc2	EMOLS-id_318733194	288.368	AKJNEYCJYQASSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050004
CSCc1cccc(NC(=O)N2CCn3ccnc23)c1	MCULE-7917330296,ZINC22_602837960,PC-id_136559148,EMOLS-id_316937321	288.368	QLTWDTHNUCZXAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050005
n12c(=O)c(=Cc3ccc[nH]3)sc1nc(C(CC)CC)n2	MCULE-1646539956	288.368	IEFYCMQFOHZFFN-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-050006
n1c2CCCc2sc1CCNC(=O)Nc1ccccn1	MCULE-6436343018,EMOLS-id_181501829,PC-id_110491875	288.368	FYEOZXMOHWBUFI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050007
n1(CC(=O)NCc2ccccc2)nc2c(CSC2)c1N	CoCoCo_5090354,MCULE-2419104548,PC-id_33677832,ZINC22_26422008,EMOLS-id_27513011	288.368	PKBCVCAHIRBJBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050008
N#Cc1c(NC(=O)CC2CCCC=C2)nc2n1CCS2	EMOLS-id_100550226	288.368	WWPVQVYGBNFFCG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050009
N#Cc1c(NC(=O)CC2=CCCCC2)nc2n1CCS2	PC-id_72132850,MCULE-1117624948,ZINC22_72287811,EMOLS-id_42895005	288.368	NIYJMQDTPZMFBE-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050010
NNc1ccc(c(c1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_104331696	288.368	ITSVOGGLEWOZLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050011
O=c1n2n(CCC2)c(c1/N=C
/C(=CC([NH+](C)C)C=C1)N)C	PC-id_57831913	288.368	ACRRRDZFXOBZTG-GHRIWEEISA-O	00000010100011000001000010000000000000000000000000000000	25-01-050012
O=C(c1cncnc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180204	288.368	KOBHLCDTLJZDKO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050013
O=C(c1cnn(c1)CC1CC1)Nc1sc2c(n1)CCC2	EMOLS-id_318767019	288.368	AZUYLBQUUVGRSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050014
O=C(c1csc(n1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319773203	288.368	PCPNJLBXELLVSC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050015
O=C(c1sc2c(c1)CCC2)N1CCC(C1)c1[nH]cnn1	EMOLS-id_102246924	288.368	WIBKYYWFNHXGAV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050016
O=C(/C=Cc1sccc1C)NCc1nnc2n1CCC2	CoCoCo_4658148	288.368	KBJBVQOCVPHEPO-PLNGDYQASA-N	00000010100100000001000010000000000000000000000000000000	25-01-050017
O=C(C=Cc1sccc1C)NCc1nnc2n1CCC2	MCULE-3170283497,EMOLS-id_26236768,PC-id_72055516	288.368	KBJBVQOCVPHEPO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050018
O=C(N1Cc2c(C1)cnn2C)Cc1scc(n1)C1CC1	EMOLS-id_319399839	288.368	QILPXKZIXYDBCX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050019
O=C(N1CCC[C@@H]1c1nc[nH]n1)c1sc2c(c1)CCC2	EMOLS-id_319390501	288.368	AXFICILAHQABBK-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050020
O=C(NC1(c2nnc[nH]2)CCC1)c1cc2c(s1)CCC2	EMOLS-id_53821952,ZINC22_194289843,MCULE-8191095492,PC-id_99841000	288.368	YFHHHLNCJKOKNR-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050021
O=C(NC1CCn2c1cnc2)Cc1scc(n1)C1CC1	EMOLS-id_319292342	288.368	FYOPGXMGUBODEF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050022
O=C(NC1CCn2c1ncc2)Cc1scc(n1)C1CC1	MCULE-9289714315,EMOLS-id_320106346	288.368	WEOUPTVODJFAKX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050023
O=C(NCc1nnc2n1CCC2)c1cc2c(s1)CCC2	EMOLS-id_35697406,PC-id_31821341,MCULE-4213151867,ZINC22_24444322	288.368	FLDMSMWUYHBWOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050024
O=C(NCc1nnc2n1CCC2)c1sccc1C1CC1	ZINC22_49376393,CHEMBL4558229,PC-id_47451729,MCULE-3275111950,EMOLS-id_45756345	288.368	XKTNRJRFNQCBKJ-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-050025
O=C(N(Cc1nnc2n1CCC2)C)/C=Cc1cccs1	CoCoCo_4491574	288.368	POSTXAFUEZEKKV-SREVYHEPSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050026
O=C(N(Cc1nnc2n1CCC2)C)C=Cc1cccs1	PC-id_72158872,MCULE-3460587744,EMOLS-id_31867872	288.368	POSTXAFUEZEKKV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050027
s1c2CCCc2cc1CNc1nnc(cc1)C(=O)NC	PC-id_79207666	288.368	CZMYUKCZPQTDPF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050028
s1c2CCCc2cc1CNC(=O)c1nc([nH]n1)C1CC1	PC-id_80381436	288.368	VAMIVSZOKUOWDY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050029
s1c2CCCc2nc1NC(=O)c1ccc(NCC)nc1	PC-id_62178626	288.368	SEBQTFCTXAUHOR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050030
s1c2CCCc2nc1NC(=O)c1cc(c(NN)cc1)C	PC-id_63211931	288.368	ZZUYQOZQKIIAIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050031
s1c2CCCc2nc1NC(=O)c1cc(NCC)ncc1	PC-id_62178982	288.368	UCNLHTYWJNJOTN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050032
s1c2CCCc2nc1NC(=O)c1c(NCC)ccnc1	PC-id_81240011	288.368	PITHBWNXRUDVQV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050033
s1c2CCCc2nc1NC(=O)c1c(NC)cc(nc1)C	PC-id_81240343	288.368	SPOUDOSVCBPNMS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050034
s1c2CCCc2nc1NC(=O)c1c(NCC)nccc1	PC-id_62178448	288.368	MDUGCOPSYFDAND-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050035
s1c2CCCc2nc1NC(=O)c1c(NN)ccc(c1)C	PC-id_62513306	288.368	OWCBMXOVOJQQAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050036
s1c2CCCc2nc1NC(=O)c1c(NN)cc(cc1)C	PC-id_80281706	288.368	HDQUXMQUNWXQDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050037
s1c2CCCc2nc1NC(=O)c1n(C2CC2)cc(N)c1	PC-id_61507694	288.368	YLXSNHRRVMWKEY-UHFFFAOYSA-N	00100010110000000001100010000000000000000000000000000000	25-01-050038
s1c2CCCc2nc1NC(=O)c1nccc(NCC)c1	PC-id_62178269	288.368	ZRCILGJSQAUUDT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050039
s1c2CCCc2nc1NC(=O)c1nc(NCC)ccc1	PC-id_62240874	288.368	HWSAADVRKCYKSA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050040
s1c2CN(Cc2nc1N)C(C)C(=O)Nc1ccccc1	PC-id_82194314	288.368	NBGUUDVRTTYUPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050041
s1c2CN(Cc2nc1N)CC(=O)N(c1ccccc1)C	PC-id_82194261	288.368	MAXWLWQIPQKHBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050042
s1c2CN(Cc2nc1N)CC(=O)Nc1cc(ccc1)C	PC-id_82194329	288.368	OKQNQIWKYWYAQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050043
s1c2CN(Cc2nc1N)CC(=O)Nc1c(cccc1)C	PC-id_82194332	288.368	PDSYFGDESWYOAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050044
s1c2CN(Cc2nc1N)CC(=O)Nc1ccc(cc1)C	PC-id_82194350	288.368	UKFFBEFHPCRJHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050045
s1c2CN(Cc2nc1N)CC(=O)NCc1ccccc1	PC-id_82194271	288.368	YILIBQQUDKEHPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050046
s1c2CNCc2nc1NC(=O)c1ccc(N(C)C)cc1	PC-id_82194081	288.368	YDLXSMQZZLOMFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050047
s1c2CN(Cc2nc1N)C(=O)c1ccc(N(C)C)cc1	PC-id_82194191	288.368	WTMNWALTPAMWLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050048
s1c2CN(Cc2nc1N)C(=O)c1cc(N(C)C)ccc1	PC-id_82194190	288.368	OIRNSXYRIQPKIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050049
NC(=NCCc1cn2c(n1)SCC2)Nc1ccccn1	PC-id_120363240	288.371	KMTUSFIJKTWNSG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050050
s1c(NCc2n[nH]c3c2CCC3)nc2n(nc(c12)C)C	PC-id_72902466	288.371	QADADCUYZKBSGT-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-050051
Fc1ccc(cc1)C1(NCc2sc3c(n2)CCC3)CC1	EMOLS-id_318114876,MCULE-2188257426	288.383	BLRFUHZKMPCHKI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050052
Fc1cccc(c1)C1(NCc2sc3c(n2)CCC3)CC1	MCULE-2916234254,EMOLS-id_318277564	288.383	CXVHCIWCHPFBEV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050053
Fc1ccccc1C1(NCc2sc3c(n2)CCC3)CC1	MCULE-8030197424,EMOLS-id_318277307	288.383	ZYBHBXYDQDBTOS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050054
s1c(nc2c1CCC2)C(NC1CC1)c1ccc(F)cc1	PC-id_61334889	288.383	VDBOWLSXZNGNBF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-050055
s1c(nc2c1CCC2)C(NC1CC1)c1cc(F)ccc1	PC-id_61335857	288.383	OGBKJLSXRZXEHR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-050056
s1c(nc2c1CCC2)C(NC1CC1)c1c(F)cccc1	PC-id_61333323	288.383	GOAQKEXZYJPBJV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-050057
CC(C)C=C1C(c2c(n(c(c2C1C=C)O)CCN)O)C=C	PC-id_91549186	288.385	MJRBZLKORJCZLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050058
CCOC(=O)Cn1c(C)c2c(c1C)C(CC2(C)C)(C)C#N	SCHEMBL11433056,PC-id_12894296	288.385	GELWTXHQNORWBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050059
CCCNC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_95043466	288.386	AKEJRFNNRDMUTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050060
CC(Nc1nc2c(s1)CCC2C(=O)O)CS(=O)C	PC-id_116200473	288.386	HZBGULGEFDYUFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050061
CC(NC(=O)c1cc2c(s1)CCN2S(=O)(=O)C)C	PC-id_97524511	288.386	DQLXUJHUZZDGIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050062
CCS(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_116262564	288.386	QARZJUSMEDAKAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050063
CS(=O)CCCNc1nc2c(s1)CCC2C(=O)O	PC-id_113488392	288.386	POFHHJLMGPDQJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050064
CS(=O)C(CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_116183123	288.386	WYVWQXDTOHEKQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050065
CS(=O)(=O)NCCNC(=O)c1cc2c(s1)CCC2	EMOLS-id_36264441,ZINC22_29855120,PC-id_37119386,MCULE-8043356731	288.386	HZUCIIQEXSAHFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050066
N1(Cc2c(C1)cn(c2)Cc1ccccc1)Cc1ccccc1	PC-id_12958543	288.386	SAOREVYYIGNBNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050067
O=C(c1sc2c(c1)CCC2)NCCCS(=O)(=O)N	PC-id_61131937,EMOLS-id_38090158	288.386	WYSNBGMCCWYFEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050068
s1c2c(CCC2)c(c1NS(=O)(=O)CCC)C(=O)N	PC-id_60001339	288.386	NHSFOLPTLAKJLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050069
c1(C(=O)NC2CC2)c2CNCc2nn1CC1CCCCC1	EMOLS-id_324354660,MCULE-5958445741	288.388	OKWQOZJBVMESOJ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-050070
c1(NC(=O)c2ccc(C)s2)sc2c(CCC2)c1C#N	MCULE-9444701750,PC-id_17173391,EMOLS-id_13331751,ZINC22_13327432,TIMTEC365281,CoCoCo_1074406	288.388	OTGGAVABRHOOPD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050071
c1(NC(=O)c2csc(C)c2)sc2c(CCC2)c1C#N	MCULE-4290057852,ZINC22_13327642,CoCoCo_1067912,PC-id_17172916,EMOLS-id_11487398,TIMTEC369226	288.388	OXOQDTWNWMWZTI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050072
CC1CC(CN1C(=O)c1cnn2c1CCC2)N1CCCC1	EMOLS-id_102801008	288.388	ICOSDNMUSCUNFP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050073
CC1C(CCN1C(=O)c1cnn2c1CCC2)N1CCCC1	EMOLS-id_102828129	288.388	DAHKAQZBMMLOJK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050074
CC1CC(CN1C(=O)c1nn2c(c1)CCC2)N1CCCC1	EMOLS-id_102800633	288.388	LCNGQWFTUNNBGS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050075
CC1C(CCN1C(=O)c1nn2c(c1)CCC2)N1CCCC1	EMOLS-id_102800669	288.388	CQFUOYSZJPKXCD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050076
CC1C(CCN1C(=O)c1n[nH]c2c1CCC2)N1CCCC1	EMOLS-id_102365069	288.388	NLANJVRFTBORRL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050077
CC1CC(CN1C(=O)c1n[nH]c2c1CCC2)N1CCCC1	EMOLS-id_102417370	288.388	CKXGDNNSVHYJAM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050078
Cc1c(C(=O)Nc2c(C#N)c3c(CCC3)s2)scc1	PC-id_2401948,EMOLS-id_3078696,MCULE-5234590412,CoCoCo_3268191	288.388	QTSZUVFWAANFQW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050079
CC1CN(CCN(C1)C(=O)c1cnn2c1CCC2)C1CC1	EMOLS-id_102799775	288.388	CIUCMESHGYRCOJ-UHFFFAOYSA-N	00100010100000000101100010000000000000000000000000000000	25-01-050080
CC1CN(CCN(C1)C(=O)c1nn2c(c1)CCC2)C1CC1	EMOLS-id_102799778	288.388	VNRNBCJHCWVPDB-UHFFFAOYSA-N	00100010100000000101100010000000000000000000000000000000	25-01-050081
CC1CN(CCN(C1)C(=O)c1n[nH]c2c1CCC2)C1CC1	EMOLS-id_102802931	288.388	JFHQGWCOPJTKEZ-UHFFFAOYSA-N	00100010100000000101100010000000000000000000000000000000	25-01-050082
C[C@H]1C[C@@H](NC(=O)N(C2CC2)[C@H](C)C2CC2)c2nccn12	ZINC22_334108007	288.388	ZNBWJNMRQWWDLQ-MISXGVKJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050083
C[C@H]1C[C@H](NC(=O)N(C2CC2)[C@H](C)C2CC2)c2nccn12	ZINC22_334108008	288.388	ZNBWJNMRQWWDLQ-WDMOLILDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050084
C[C@H](C1CC1)N(C(=O)N[C@H]1C[C@@H](C)n2ccnc12)C1CC1	ZINC22_334108005	288.388	ZNBWJNMRQWWDLQ-GYSYKLTISA-N	00100010100000000001000010000000000000000000000000000000	25-01-050085
C[C@H](C1CC1)N(C(=O)N[C@@H]1C[C@@H](C)n2ccnc12)C1CC1	ZINC22_334108006	288.388	ZNBWJNMRQWWDLQ-JTNHKYCSSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050086
O=C(C1CC1C1CCCCC1)NCc1nnc2n1CCC2	MCULE-4842406589,EMOLS-id_50326544,PC-id_102554712	288.388	LPTMLPMCTKDSDB-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-050087
O=C(c1cc2n(n1)CCC2)N1CCC(C1)N1CCCCC1	EMOLS-id_102787269	288.388	HCOJEXYAZTWUDQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050088
O=C(c1cc2n(n1)CCC2)NCC1CCCCN1C1CC1	EMOLS-id_101286303	288.388	SVCZJAZXCFYBAJ-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-050089
O=C(C1CCN1C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319291066	288.388	YAOUWEOVKJVCRX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050090
O=C(C1CCN1C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318851376	288.388	RABCMYRNGQUBCJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050091
O=C(c1cnn2c1CCC2)N1CCCC(C1)N1CCCC1	EMOLS-id_102844252	288.388	LFJKMXYBIGPSBR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050092
O=C(c1cnn2c1CCC2)N1CCN(CC1)C1CCCC1	EMOLS-id_102786534	288.388	ADAPKHZPZLPCJI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050093
O=C(C1NCc2c1c[nH]n2)NCC(C1CCC1)C1CCC1	EMOLS-id_319655824	288.388	NOEKUBIEBQQQQP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-050094
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)N1CCCC1	EMOLS-id_102844243	288.388	QEQSHTXSLFGFRG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050095
O=C(c1nn2c(c1)CCC2)N1CCN(CC1)C1CCCC1	EMOLS-id_102786546	288.388	HSJWAZZPPSXOKS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050096
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)N1CCCCC1	EMOLS-id_102465195	288.388	VBQBTTYBISACSY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050097
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)C1CCCN1	EMOLS-id_102718579	288.388	GIHMWWALAZBQTB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050098
O=C(c1n[nH]c2c1CCC2)N1CCCCC1C1CNCC1	EMOLS-id_102099962	288.388	SIGGMWMKAFGIPS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050099
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)C1CNCC1	EMOLS-id_102557774	288.388	UFULMDAYJFBVCP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050100
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)C1CNCC1	EMOLS-id_102781161	288.388	KZEVFKWTBDWLCE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050101
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)N1CCCC1	EMOLS-id_102304456	288.388	LWLDYOIYYDCHMQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050102
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)C1CCCC1	EMOLS-id_102288629	288.388	PGMMUXYUOMKZLP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050103
O=C(c1sc2c(c1)CCC2)Cc1nc2n(c1)ccs2	PC-id_115792057	288.388	IDFAXHPRKSDSCT-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-050104
O=C(Cc1cccs1)Nc1sc2CCCc2c1C#N	PC-id_40804999,MCULE-8848208140,EMOLS-id_322819623	288.388	HRGKXSGEJIQKIV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050105
O=C(N1CCCC1C1CCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101414230	288.388	UMLHNKQQJBFQGP-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050106
O=C(N1CCCCC1C1CNCC1)c1cn2c(n1)CCC2	MCULE-5053622632,EMOLS-id_102952200	288.388	PGDYLLKMEMABCB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050107
O=C(NC1CC(n2c1ncc2)C)NC(C1CC1)C1CCC1	EMOLS-id_101423073	288.388	LCEIHVNBMAYQGW-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-050108
O=C(NC1CC(n2c1ncc2)C)NCC1(CCC1)C1CC1	EMOLS-id_101367043	288.388	ZIFJZYRAVVLETP-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-050109
O=C(NC1CC(n2c1ncc2)C)NC[C@@H]1C[C@H]1C1CCC1	EMOLS-id_102198757	288.388	OZQMUWXNEPHYIP-IFFXXYNGSA-N	00101010100000000001100010000000000000000000000000000000	25-01-050110
O=C(N)C1=C(n2c(c(cc2C1=NC)CCC)CCCC)N	PC-id_16680983	288.388	RRCOBRNGQBLUGW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-050111
O=C(N(C(C1CC1)C1CC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101414182	288.388	QQWMZBWYTQDDFW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050112
O=C(N(C(C1CC1)C)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101577129,MCULE-1834425089	288.388	ZNBWJNMRQWWDLQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050113
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1C1CCCCC1	PC-id_99774543,ZINC22_169995609	288.388	LPTMLPMCTKDSDB-STQMWFEESA-N	00100010100010000001100010000000000000000000000000000000	25-01-050114
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1C1CCCCC1	PC-id_99774544,ZINC22_169995613	288.388	LPTMLPMCTKDSDB-OLZOCXBDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-050115
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1C1CCCCC1	PC-id_99774546,ZINC22_169995618	288.388	LPTMLPMCTKDSDB-CHWSQXEVSA-N	00100010100010000001100010000000000000000000000000000000	25-01-050116
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1C1CCCCC1	ZINC22_169995616,PC-id_99774545	288.388	LPTMLPMCTKDSDB-QWHCGFSZSA-N	00100010100010000001100010000000000000000000000000000000	25-01-050117
O=S(=O)(N1CCNCC1)Nc1sc2c(n1)CCC2	EMOLS-id_315221693,PC-id_54963903	288.39	JSCCPVFDEHNPIX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-050118
CC1CC(c2n1ncn2)NC(C(C)(C)C)Cn1cncc1	EMOLS-id_318432939,MCULE-4247622056	288.391	UAZBHFHPQJSNFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050119
CC(C(c1nncn1C)NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318963807	288.391	RIVBPNPKSBNFKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050120
CC(n1nnc(c1)C(NCc1cnc2n1CCC2)(C)C)C	EMOLS-id_318307861	288.391	MALMYAKUFGVVDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050121
n12CCCc1nnc2C(NCc1cn(nc1)C(C)(C)C)C	PC-id_43791520	288.391	BRSPPNIDFPBFSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050122
n12CCCc1nnc2C(NCc1c(nn(c1)C)C(C)C)C	PC-id_43791524	288.391	SAEDYHWWVDPIQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050123
n12CCCc1nnc2C(NC(c1c(n(nc1C)C)C)C)C	PC-id_61890848	288.391	FUWWYXFXSQKCEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050124
s1c2CCCc2nc1NC=C(c1scc(n1)C)C#N	PC-id_84844616	288.391	CCKAMXXMLXXCDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050125
s1c2CCCc2nc1N/C=C(/c1scc(n1)C)C#N	PC-id_8821938	288.391	CCKAMXXMLXXCDB-RMKNXTFCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050126
C/C=CC1=C(C)c2n(C1CC(C1CCCCC1)F)cnc2	PC-id_142611000	288.403	QWSSDQYFOSLEKY-CLTKARDFSA-N	00000011100010000001000010000000000000000000000000000000	25-01-050127
CCCOc1ccc(cc1)C(c1sc2c(c1)CCC2)O	PC-id_115795200	288.404	PQVAFVZMQYZLEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050128
CCCOc1ccccc1C(c1sc2c(c1)CCC2)O	PC-id_115832944	288.404	FHAAOUYFRPJIJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050129
CC(Oc1ccccc1C(c1sc2c(c1)CCC2)O)C	PC-id_115823659	288.404	GAMYXRIWYGKFDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050130
CC(Oc1cccc(c1)C(c1sc2c(c1)CCC2)O)C	PC-id_115823997	288.404	MPIUXLDBRIKVCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050131
COc1ccc(cc1CC(c1sc2c(c1)CCC2)O)C	PC-id_115781329	288.404	HPQQELJDLQUHIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050132
COc1ccc(cc1)CCC(c1sc2c(c1)CCC2)O	PC-id_115803165	288.404	FQMQQYAWLOVRFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050133
COc1cc(C)cc(c1C(c1sc2c(c1)CCC2)O)C	PC-id_106682615	288.404	WSPPGKIPULXGCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050134
COc1cc(C)c(cc1C)C(c1sc2c(c1)CCC2)O	PC-id_115831233	288.404	FGTFDEMAXMCMET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050135
s1c2c(CCC2)cc1C(O)c1ccc(cc1)CCOC	PC-id_61099056	288.404	LYKSPRQUOKYBKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050136
s1c2c(CCC2)cc1C(O)c1cc(c(OC)c(c1)C)C	PC-id_83068353	288.404	SARWRBZFPINBPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050137
s1c2c(CCC2)cc1C(O)c1ccc(OC(C)C)cc1	PC-id_61087071	288.404	NIUFGJMHWRDCOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050138
s1c2c(CCC2)cc1C(O)c1c(OCC)ccc(c1)C	PC-id_62301826	288.404	CUQSWMMOPSYMPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050139
COc1c(ccc(c1C)C)C(c1sc2c(c1)CCC2)O	PC-id_103435707	288.405	KYDFAPXEQYFLEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050140
Cc1ccc(cc1)C(CNCc1sc2c(n1)CCC2)O	PC-id_109948530	288.408	KYASDELLDYZVCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050141
Cc1cccc(c1)C(CNCc1sc2c(n1)CCC2)O	PC-id_109948723	288.408	VLLHFBSAPZNBNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050142
CC1CCCC(C1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328231993,MCULE-3449809459	288.408	IWSOBFNQDDOXLO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050143
CC1CCC(CC1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3022933578,EMOLS-id_328242483	288.408	PPWODPAOMUJXDH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050144
CC1CCCCC1C(=O)Nc1sc2CCCc2c1C#N	MCULE-3735681976,EMOLS-id_328217422	288.408	VSPJGCIENHHFLM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050145
CCc1cc(n(n1)CC)CC(=O)c1sc2c(c1)CCC2	PC-id_115778951	288.408	MNHCMQFTPCNOMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050146
CCC(n1ccc(n1)CC(=O)c1sc2c(c1)CCC2)C	PC-id_114975610	288.408	ZEKFZJCEOOSXJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050147
CCCOc1cccnc1NCc1sc2c(c1)CCC2	PC-id_104060717	288.408	ZZIAZOKWUSBIDC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050148
CCCOc1cncc(c1)C(c1sc2c(c1)CCC2)N	PC-id_105026737	288.408	XOILUUHPPCZWQF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050149
CCNC(c1ncccc1OC)c1sc2c(c1)CCC2	PC-id_108213969	288.408	YJBYNQVLWKKWRN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050150
CCNC(c1sc2c(c1)CCC2)c1cncc(c1)OC	PC-id_105026207	288.408	YCIXWMNQZZLAMN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050151
CCOc1ccc(cc1)C(c1sc2c(c1)CCC2)NN	PC-id_105300704	288.408	SAARIQSCTLQPFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050152
CCOc1ccccc1C(c1sc2c(c1)CCC2)NN	PC-id_105304381	288.408	RZEZWHKXGAYGFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050153
CCOc1cccc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105328032	288.408	FGACTMHZUKQBQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050154
CC(Oc1cccnc1NCc1sc2c(c1)CCC2)C	PC-id_104060719	288.408	ISMHPSFCFJGGOD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050155
CCOc1cncc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_105026266	288.408	MEMOZSCSTUMXFZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050156
CC(Oc1cncc(c1)C(c1sc2c(c1)CCC2)N)C	PC-id_105027346	288.408	SASYUZIXUORYFM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050157
COc1ccc(cc1C(c1sc2c(c1)CCC2)NN)C	PC-id_105303504	288.408	YNCIESMBTHQTBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050158
COc1ccc(c(c1)C)C(c1sc2c(c1)CCC2)NN	PC-id_105291537	288.408	GDVKHDMTEUIGGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050159
COc1cccc(c1)CC(c1sc2c(c1)CCC2)NN	PC-id_105295333	288.408	TVAWTIDUZJEHTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050160
COc1cc(NCc2sc3c(n2)CCC3)c(cc1C)C	MCULE-9198003469,EMOLS-id_318210041	288.408	JEULSLUGYHNUCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050161
COc1nc(C)cc(c1CNC1CCc2c1scc2)C	MCULE-1559790573,EMOLS-id_318415991	288.408	IUXSVDDRARGKDJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050162
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1O	MCULE-3171341953,EMOLS-id_331007911	288.408	XPZYTBNTHVHNCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050163
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1O	MCULE-7917953605,EMOLS-id_331006117	288.408	OQYDDORAJVTRQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050164
N#CC1(CCCC(C1)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_110406009	288.408	AUCIYKYJQMKJKP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050165
N#CC(C1CCCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_110180688,PC-id_61123592	288.408	JAXCTMSYVLFVIV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050166
NNC(c1sc2c(c1)CCC2)Cc1ccccc1OC	PC-id_105289420	288.408	YWMCNDVKGDHBMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050167
OC(c1ccccc1C)CNCc1sc2c(n1)CCC2	PC-id_109948578	288.408	PSLXYUYVYAKJTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050168
OCc1ccc(cc1)CCNCc1sc2c(n1)CCC2	PC-id_109982549	288.408	AMAFOZRVDJXENT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050169
OC(c1ccccc1)CNC(c1sc2c(n1)CCC2)C	PC-id_109908205	288.408	HHUYFQCBFRIBSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050170
OCc1ccccc1CNC(c1sc2c(n1)CCC2)C	PC-id_110017271	288.408	SWJLPFWABSRWBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050171
OC(Cc1ccccc1)CNCc1sc2c(n1)CCC2	PC-id_109948557	288.408	JEQFXWXYVBJGIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050172
O=C(CC1CCCCC1)Nc1sc2CCCc2c1C#N	MCULE-1113286722,EMOLS-id_322616418	288.408	VUWZAGRYXLVOHI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050173
OCC(c1ccccc1)NC(c1sc2c(n1)CCC2)C	PC-id_109908769	288.408	DZQBNSAVLVFXAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050174
OCCc1ccc(cc1)NC(c1sc2c(n1)CCC2)C	PC-id_110017334	288.408	ZFCDQYLEOWJWLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050175
OCC[C@H](c1ccccc1)NCc1sc2c(n1)CCC2	PC-id_109948647	288.408	BCYVUQQXSOJIHP-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050176
OCCN(Cc1sc2c(n1)CCC2)Cc1ccccc1	PC-id_109973994	288.408	BJLHKMXNWSSUQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050177
s1c2CCCc2cc1CNCc1nc(cc(OC)c1)C	PC-id_82893673	288.408	MKAWZQPTCCLAMQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050178
s1c2c(CCC2)cc1C(=O)NC1(CCC(CC1)C)C#N	PC-id_61118747	288.408	BMRHAEHDCHINRY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050179
s1c2c(CCC2)cc1C(=O)NC1(CCCCCC1)C#N	PC-id_61119174	288.408	LXLKTFAUWVYXHY-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-050180
s1c2CCCc2nc1CC(N)c1cc(c(OC)cc1)C	PC-id_82066883	288.408	CSQNFIJFNBWERU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050181
s1c2CCCc2nc1CC(N)c1ccc(OCC)cc1	PC-id_82066885	288.408	KMTOBBFBGKOYDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050182
s1c2CCCc2nc1CC(N)c1c(OCC)cccc1	PC-id_82066893	288.408	COVFJKDHTOCEIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050183
s1c2CCCc2nc1C(N)c1ccc(OC(C)C)cc1	PC-id_61331096	288.408	IBBSGYHVKIAFLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050184
s1c2CCCc2nc1C(N)c1ccc(OCCC)cc1	PC-id_62496955	288.408	NNYCIJDAOHZPSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050185
s1c2CCCc2nc1C(N)c1cc(OC(C)C)ccc1	PC-id_61331493	288.408	CPTKAKFNRZQGNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050186
s1c2CCCc2nc1C(N)c1cc(OCCC)ccc1	PC-id_62499814	288.408	JVSLRACVKGFPKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050187
s1c2CCCc2nc1C(NC)c1cc(ccc1)COC	PC-id_65592245	288.408	BPSACLKVOFYQFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050188
s1c2CCCc2nc1C(NC)c1ccc(cc1)COC	PC-id_65624935	288.408	IZLYZDCDRPTOKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050189
s1c2CCCc2nc1C(NC)c1cc(c(OC)cc1)C	PC-id_62131547	288.408	DRUFMCDGBZSJCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050190
s1c2CCCc2nc1C(N)(Cc1ccc(OC)cc1)C	PC-id_63271188	288.408	SLGICLZGCHJSBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050191
s1c2CCCc2nc1C(NC)c1ccc(OCC)cc1	PC-id_61331566	288.408	JMHKHMLKFYMGBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050192
s1c2CCCc2nc1C(NC)c1cc(OCC)ccc1	PC-id_61330379	288.408	KEASGMPSNKJHMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050193
s1c2CCCc2nc1C(NC)c1c(COC)cccc1	PC-id_65624803	288.408	GKCDGPSHEZCCBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050194
s1c2CCCc2nc1C(N)(Cc1c(OC)cccc1)C	PC-id_61331095	288.408	JACQHSHISZCGOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050195
s1c2CCCc2nc1C(NC)c1c(OCC)cccc1	PC-id_61330378	288.408	NSVAFAHAGPZLPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050196
s1c2CCCc2nc1C(NCC)c1ccc(OC)cc1	PC-id_61332208	288.408	UTWIESDJRCYJOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050197
s1c2CCCc2nc1C(NCC)c1cc(OC)ccc1	PC-id_61332204	288.408	ULKYURIQLZMPJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050198
s1c2CCCc2nc1C(NCC)c1c(OC)cccc1	PC-id_61332026	288.408	GBGKMMNZBSJUKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050199
s1c2CCCc2nc1C(NCCOC)c1ccccc1	PC-id_62542106	288.408	SXOIHZAHFIJXFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050200
s1c2C(OC(c2nc1Cc1ccc(N)cc1)(C)C)(C)C	PC-id_79916801	288.408	CZATZLVVHHORKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050201
s1c2C(OC(c2nc1C(N)c1ccccc1)(C)C)(C)C	PC-id_79917622	288.408	BLGAZLHSYRSMLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050202
C1Cc2c(C1)nc(s2)CNc1cnn(c1)C1CCCC1	MCULE-7446534154,EMOLS-id_318644673	288.411	SVCRWHYYBZVAPT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050203
C1CCC(C1)(NCc1cnc2n1CCC2)c1nccs1	MCULE-5764088751,EMOLS-id_318187867	288.411	RJFBTNGWXXFBGX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050204
CC1CC(c2n1ccn2)NCc1cnc(s1)C1CCC1	MCULE-5559269168,EMOLS-id_318605964	288.411	XIAUSNFKKKXUTM-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050205
CC1CC(c2n1ccn2)NCCc1sc2c(n1)CCC2	MCULE-6705858886,EMOLS-id_318706789	288.411	QILONUWRHSCJMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050206
Cc1ncc(c(n1)C)C(NCc1sc2c(n1)CCC2)C	MCULE-8407169304,EMOLS-id_318694102	288.411	GMCYLAJNRTXDEY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050207
Cc1nc(NCCc2nc3CCCc3s2)nc(C)c1C	MCULE-6949403581,EMOLS-id_337800029,ZINC22_2356156676	288.411	MESZHBRVRLONEK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050208
Cc1nc(NCCc2sc3c(n2)CCC3)c(c(n1)C)C	EMOLS-id_318437807,MCULE-6209992530	288.411	GBWYHKNGUIKZOR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050209
CC(c1cc2n(n1)CCC2)NCc1sc2c(n1)CCC2	EMOLS-id_318544285,MCULE-8126094791	288.411	ZKKRBVYDYMWBQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050210
CC(c1ccnc(n1)NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318588905,MCULE-4538943851	288.411	DAVMWUFGUDAASU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050211
CC(c1nccc(n1)NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318483287,MCULE-9466772634	288.411	VSMDZORWKLGFNJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050212
CCc1nnc(nc1CC)NCc1sc2c(c1)CCC2	PC-id_105362495	288.411	HYQILWIEKHRLJG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050213
C(Cc1sc2c(n1)CCC2)NC1CC(C1)c1[nH]ccn1	EMOLS-id_318876931	288.411	LANCBBLGMDZCJL-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050214
CCn1ncc(c1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_103570210	288.411	YTQAJASXJONPQD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050215
Cn1ncc(c1)N1CCC(C1)NC1CCc2c1scc2	MCULE-6306720569,EMOLS-id_318384856	288.411	AQBVQIXEVWAHLW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050216
s1c(C(NC(c2n3CCCc3nn2)C)C2CC2)ccc1	PC-id_61561789	288.411	DHHUFYRZXGXETJ-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-050217
s1c(nc2c1CCC2)C(NC1CC1)c1c(n(nc1)C)C	PC-id_79568807	288.411	WLSWRRVYMSCFEP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050218
s1c(nc2c1CCC2)C(NC1CC1)c1c(nn(c1)C)C	PC-id_83090546	288.411	HWEWHBMRKLBHMG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050219
s1c(nc2c1CCC2)C(NC1CC1)c1n(CC)cnc1	PC-id_66134119	288.411	DVXCRBMBTBPXSR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050220
s1c(nc2c1CCC2)C(NCC)c1n(C2CC2)cnc1	PC-id_66140248	288.411	VKLZZBUFBCJLNQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050221
S(c1ccc(CNC(c2n3CCCc3nn2)C)cc1)C	PC-id_43433215	288.411	BTOIDBBGIMAANA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050222
CCS(=O)(=O)CCCC(c1sc2c(c1)CCC2)O	PC-id_113661814	288.426	HCMYJHUZGCKBAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050223
CN[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_70332441,SCHEMBL8282013	288.429	CXBACJRIIFXGAG-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050224
NNC(c1sc2c(c1)CCC2)CCCS(=O)(=O)C	PC-id_105290876	288.429	AIPMWRHXEZXCCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050225
S1(=O)(=O)N(CC(NC)C(C)(C)C)Cc2sccc12	PC-id_77826444	288.429	CXBACJRIIFXGAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050226
C1CCC(CC1)N1CCCC1CNC1CCn2c1ncc2	EMOLS-id_318291209,MCULE-4575981640	288.431	ZTSUYYWHTCLURS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050227
CC1CC(c2n1ccn2)NC1CCN(CC1)C1CCCC1	MCULE-6299644681,EMOLS-id_318078196	288.431	JICMEVGLAYZZIX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050228
CC1CN(CCN1C1CCCC1)Cc1nn2c(c1)CCC2	EMOLS-id_319556207	288.431	NQPZSWGZSCPBEC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050229
c1c2c(cs1)C(C(C2(S)S)(F)F)(S)S	SCHEMBL14114888,PC-id_89250415	288.444	RYIUQXVAXHDNSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050230
CCCCCCCCc1sc2c(c1F)CS(=O)C2	SCHEMBL12622746,PC-id_58280889	288.444	QCYVYZHWDJWUKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050231
s1c2c(CCC2)cc1CNCc1c(n(c(c1)C)CC)C	PC-id_79604842	288.451	URHHWOFCGIJTHW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-050232
Clc1ncc(s1)Cn1c(=O)oc2c1ccs2=O	PC-id_142674378	288.731	LWESDOUEWKYIMW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-050233
c12CCCc1[nH]nc2C(=O)NN=Cc1cc(Cl)ccc1	MCULE-1377221804,PC-id_4684278	288.732	SCVWFNJBNQAKLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050234
C1Cc2c(C(=O)NN=Cc3ccccc3Cl)n[nH]c2C1	PC-id_2047566,MCULE-8530326875	288.732	JJFILQIEVHYFRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050235
C1Cc2c(C(=O)NN=Cc3ccc(Cl)cc3)n[nH]c2C1	PC-id_3899136,MCULE-5394392851	288.732	KLJBNMCVQCFPSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050236
Clc1cccc(c1)/C=N/NC(=O)c1n[nH]c2c1CCC2	PC-id_9682466,SPECS-id_AT-225/JK16610	288.732	SCVWFNJBNQAKLL-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050237
Clc1ccc(/C=N/NC(=O)c2n[nH]c3CCCc23)cc1	PC-id_9640380	288.732	KLJBNMCVQCFPSU-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050238
Clc1c(/C=N/NC(=O)c2n[nH]c3CCCc23)cccc1	TIMTEC239570,PC-id_6891320	288.732	JJFILQIEVHYFRR-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050239
N#Cc1cc(Cl)c(nc1C)NCc1nnc2n1CCC2	EMOLS-id_318530106,MCULE-1799581064	288.736	VWTUPSLYTYNWSS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050240
N#Cc1c(NCc2nnc3n2CCC3)ncc(c1C)Cl	EMOLS-id_318461480,MCULE-3893098998	288.736	LYUNUPCULVHTKP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050241
N#Cc1cnc(c(c1)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318750098,MCULE-2768576863	288.736	JRGCPZLQFBOVST-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050242
N#Cc1nc(ccc1Cl)NC(c1nnc2n1CCC2)C	MCULE-5148119179,EMOLS-id_318730125	288.736	SNYSCEQTFZDHRD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050243
c12c(CCC1C(=O)OCC)sc(NC(=O)CCl)n2	MCULE-2537927295,EMOLS-id_42771839,PC-id_49657903	288.751	VHAPLFSVLUTQQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050244
CCOC(=O)[C@@H]1CCc2sc(NC(=O)CCl)nc12	EMOLS-id_337392217,PC-id_52194683	288.751	VHAPLFSVLUTQQL-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050245
ClCC(=O)Nc1sc2CC[C@@H](c2n1)C(=O)OCC	PC-id_52194684	288.751	VHAPLFSVLUTQQL-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-050246
CC1CCc2c1c(C=O)nn2Cc1ccc(C)cc1Cl	EMOLS-id_331004404,MCULE-6016909995	288.772	SMFSJLOLYRTOMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050247
CC1CCc2c1c(C=O)nn2Cc1cccc(C)c1Cl	EMOLS-id_331004916,MCULE-5189556066	288.772	GQXVKGDWXMDQDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050248
CC1CCc2c1c(C=O)nn2Cc1cc(C)ccc1Cl	EMOLS-id_331005172,MCULE-6202679426	288.772	NFTHPLPLLHMKMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050249
CC1CCc2c1c(C=O)nn2Cc1c(C)cccc1Cl	MCULE-6906421488,EMOLS-id_331004660	288.772	CZVDNBVBJNLYIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050250
CC1CCc2c1c(C=O)nn2Cc1ccc(C)c(Cl)c1	EMOLS-id_331002869,MCULE-4103560189	288.772	DRMVCHQAOACAFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050251
CC1CCc2c1c(C=O)nn2Cc1cc(C)cc(Cl)c1	EMOLS-id_331003381,MCULE-1786241700	288.772	FHRPWXCNDSCNFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050252
CC1CCc2c1c(C=O)nn2Cc1cccc(Cl)c1C	EMOLS-id_331003125,MCULE-9160589464	288.772	BXLAKHHFNXGBEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050253
CC1CCc2c1c(C=O)nn2Cc1ccc(Cl)cc1C	EMOLS-id_331005685,MCULE-9374823927	288.772	ZOADCVOGHZTPOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050254
CC1CCc2c1c(C=O)nn2Cc1ccc(Cl)c(C)c1	EMOLS-id_331005941,MCULE-7871586334	288.772	CEVMYFMFDGYQOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050255
CC1CCc2c1c(C=O)nn2Cc1cc(Cl)ccc1C	EMOLS-id_331003637,MCULE-9456673252	288.772	VSJHAYOYDPWKLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050256
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(C=O)c12	MCULE-2946956093,EMOLS-id_330984895	288.772	SJRVOAHLUFGIFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050257
CC1CCc2nn(Cc3cccc(C)c3Cl)c(C=O)c12	MCULE-2963336739,EMOLS-id_330984639	288.772	HJKLYLYWAVHFBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050258
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(C=O)c12	MCULE-9377133500,EMOLS-id_330984127	288.772	YLQAEEZKMNZPEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050259
CC1CCc2nn(Cc3c(C)cccc3Cl)c(C=O)c12	MCULE-9408928725,EMOLS-id_330984383	288.772	OVLXXQHNOHAZHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050260
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(C=O)c12	EMOLS-id_330986672,MCULE-1827689598	288.772	YRVWREGUPLRQLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050261
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(C=O)c12	EMOLS-id_330987184,MCULE-2330399850	288.772	HIOFEOKXOPCECK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050262
CC1CCc2nn(Cc3cccc(Cl)c3C)c(C=O)c12	MCULE-8327075398,EMOLS-id_330986928	288.772	KUCGLYVEDNILSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050263
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(C=O)c12	EMOLS-id_330989488,MCULE-7290501402	288.772	IMIYEMQHWVYOPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050264
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(C=O)c12	EMOLS-id_330985649,MCULE-2155560824	288.772	XUFBUQGLWRZJHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050265
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(C=O)c12	EMOLS-id_330987440,MCULE-5313499921	288.772	DWGIOHMPKVZFTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050266
Clc1ccc(cc1)Cn1c(nc2c1C(=O)CC2)C(C)C	PC-id_58460235,SCHEMBL2507022	288.772	SESINZVKTCGKBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050267
CC1CC(c2n1ncn2)NC1(CC1)c1ccc(cc1)Cl	MCULE-5547700373,EMOLS-id_318604980	288.775	ZUFCBLYZVCWQHF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050268
Clc1cccc(c1)C1(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318614780,MCULE-1241763134	288.775	XDIADJWQIWQDIE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050269
Clc1ccccc1C1(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318737929,MCULE-5960815650	288.775	NWGVCTGHOXVFHR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050270
c12CN(Cc1sc(Cl)c2CN)C(=O)OC(C)(C)C	EMOLS-id_331063589,MCULE-4529789963	288.794	FMHAJDMETYWFLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050271
c12CN(Cc1sc(N)c2CCl)C(=O)OC(C)(C)C	MCULE-6102575109,EMOLS-id_331066147	288.794	ZROSEKVCLWLIOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050272
COCCNC(=O)CNC1CCc2c1cc(s2)Cl	EMOLS-id_314710226,PC-id_112552936	288.794	PEBOIZLCYFMORA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050273
O=C(OC(C)(C)C)NNC1CCc2c1cc(s2)Cl	PC-id_107236939	288.794	GQAQQFAOCHKEOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050274
Clc1cc(c(NCc2sc3CCCc3c2)cc1)C#N	PC-id_62493148	288.795	INLJRAWAWMVXKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050275
Clc1cc(NCc2sc3CCCc3c2)c(cc1)C#N	PC-id_55182508	288.795	NJRDADJAKMLURR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050276
Clc1c(c(NCc2sc3CCCc3c2)ccc1)C#N	PC-id_62500590	288.795	CZSKCLIPMODWRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050277
Clc1cc(NCc2sc3CCCc3c2)ccc1C#N	PC-id_62945371	288.795	WQJPRDUIZGSUDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050278
Clc1c(NCc2sc3CCCc3c2)ccc(c1)C#N	PC-id_63092263	288.795	XXKIBIYBOZAODX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050279
Clc1sc2CCC(Nc3ccc(cc3)CC#N)c2c1	PC-id_81252485	288.795	CFYDAGWYTMKNHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050280
Clc1sc2CCC(Nc3c(ccc(c3)C#N)C)c2c1	PC-id_81252403	288.795	ATYGDDXNWCGDLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050281
Clc1sc2CCC(NCc3ccc(cc3)C#N)c2c1	PC-id_81251848	288.795	ASVXJMDPRIDBRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050282
Clc1sc2CCC(NCc3cc(ccc3)C#N)c2c1	PC-id_81251958	288.795	LEOAZFUQDCENDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050283
N#Cc1c(cccc1C)NC1CCc2c1cc(s2)Cl	PC-id_107803190	288.795	ZSEGLLZCNMSEBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050284
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)CCC	EMOLS-id_330971647,MCULE-3239000309	288.815	PEJNEBOPHZRUCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050285
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)C(C)C	MCULE-7040760143,EMOLS-id_330971903	288.815	IIGDVTFFECUFJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050286
CC1CCc2c1c(CCl)nn2Cc1cc(C)ccc1C	EMOLS-id_331024911,MCULE-9186182701	288.815	LNILHWJWICBISU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050287
CC1CCc2c1c(CCl)nn2Cc1c(C)cccc1C	EMOLS-id_331025167,MCULE-1071865219	288.815	KUJRUKPOUUWKRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050288
CC1CCc2c1c(CCl)nn2Cc1cccc(C)c1C	EMOLS-id_331025423,MCULE-8928887141	288.815	GAEHPKKYMXKNRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050289
CC1CCc2c1c(CCl)nn2Cc1ccc(C)cc1C	MCULE-6486370442,EMOLS-id_331022600	288.815	NAOXTXLWQQLKQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050290
CC1CCc2c1c(CCl)nn2Cc1ccc(C)c(C)c1	MCULE-5679436928,EMOLS-id_331025159	288.815	KVVNVENCDXJEDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050291
CC1CCc2c1c(CCl)nn2Cc1cc(C)cc(C)c1	MCULE-6629204860,EMOLS-id_331028736	288.815	ZNUFWWYYVDNQSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050292
CC1CCc2c1c(Cl)nn2Cc1c(C)cc(C)cc1C	EMOLS-id_330976503,MCULE-9844577171	288.815	FLUGWPXNOHBFCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050293
CC1CCc2c1c(Cl)nn2Cc1cc(C)c(C)cc1C	MCULE-7544660355,EMOLS-id_330976247	288.815	ITGMASHSOMINAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050294
CC1CCc2nn(Cc3ccc(C)cc3C)c(CCl)c12	EMOLS-id_331006642,MCULE-3518814034	288.815	KRNJLDRHEZKSNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050295
CC1CCc2nn(Cc3cc(C)ccc3C)c(CCl)c12	EMOLS-id_331008953,MCULE-2467621563	288.815	QVOZSSCMRCWYLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050296
CC1CCc2nn(Cc3cccc(C)c3C)c(CCl)c12	EMOLS-id_331009465,MCULE-7565702698	288.815	TZQCYKTWKDMWCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050297
CC1CCc2nn(Cc3c(C)cccc3C)c(CCl)c12	MCULE-1739894774,EMOLS-id_331009209	288.815	XYWVBUBXDALADR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050298
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(Cl)c12	EMOLS-id_330957236,MCULE-5699103294	288.815	KPYIPZFWAAXSFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050299
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(Cl)c12	MCULE-6480271421,EMOLS-id_330957492	288.815	MUXPLRODWSDDFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050300
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(CCl)c12	MCULE-6570464697,EMOLS-id_331009201	288.815	GLUQBGNIWQVLBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050301
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(CCl)c12	MCULE-7132934289,EMOLS-id_331008698	288.815	VKWOQBWQYCMQNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050302
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958261,MCULE-9965159961	288.815	VIXUVASHVALUEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050303
CCc1ccccc1C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958521,MCULE-2857100526	288.815	JRLIUWOXFNXRDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050304
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1Cl	MCULE-9464584170,EMOLS-id_330956984	288.815	BESBWBRHLGUYTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050305
CC(c1ccccc1C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007167,MCULE-7745340531	288.815	JWZYSVAPBRJREQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050306
CCc1ccccc1Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331009721,MCULE-2291443381	288.815	GHAUBXDDMJIYFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050307
CCc1ccccc1Cn1nc(CCl)c2C(C)CCc12	MCULE-1871266388,EMOLS-id_331025679	288.815	RDOPEZWGYDDBFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050308
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960823,MCULE-7581288296	288.815	STHPWVKBBRKGHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050309
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1Cl	MCULE-1660180060,EMOLS-id_330958517	288.815	IQHJEJBIENVODT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050310
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1Cl	MCULE-5049227326,EMOLS-id_330958008	288.815	QGEOHYAVAPOHFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050311
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1Cl	MCULE-9255748737,EMOLS-id_330958777	288.815	VZVHSBIJJCCEQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050312
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006651,MCULE-7268251943	288.815	GUSISMAZLQVVHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050313
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009469,MCULE-9844512185	288.815	GZYPNWHATLSQMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050314
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1Cl	MCULE-2651351056,EMOLS-id_330958005	288.815	OYCDKKXLHXYTOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050315
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1Cl	MCULE-4067497707,EMOLS-id_330957752	288.815	SHLZWQJRVNMCCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050316
CCc1cccc(Cn2nc3CCC(C)c3c2CCl)c1	EMOLS-id_331008954,MCULE-8806545112	288.815	IMKWHWFYAXWKFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050317
CCc1cccc(Cn2nc(CCl)c3C(C)CCc23)c1	MCULE-4303704667,EMOLS-id_331028992	288.815	YGSUPHUJENHYPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050318
CCc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1	EMOLS-id_331009457,MCULE-6912411871	288.815	ODAACUQYJUEIPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050319
CCc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1	EMOLS-id_331025415,MCULE-5234005511	288.815	RINGVOBAINCTFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050320
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330957748,MCULE-5265501511	288.815	PBJUDXSKMZGARI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050321
CC(C)c1ccccc1Cn1nc(Cl)c2C(C)CCc12	EMOLS-id_330976759,MCULE-8025057183	288.815	HLBMIZCYYLVLHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050322
CC(C)c1cccc(Cn2nc3CCC(C)c3c2Cl)c1	MCULE-5589493972,EMOLS-id_330960564	288.815	SCJZIIHQJWAEAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050323
CC(C)c1cccc(Cn2nc(Cl)c3C(C)CCc23)c1	MCULE-3334678061,EMOLS-id_330975480	288.815	HTZQYIKOLYEQNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050324
CC(C)c1ccc(Cn2nc3CCC(C)c3c2Cl)cc1	EMOLS-id_331018412,MCULE-3016125313	288.815	KXSAEKNPPPPIID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050325
CCCc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1	EMOLS-id_331022251,MCULE-1393759495	288.815	BOMUEJKTQTXUOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050326
Clc1sc2c(C(NCCN(CCOC)C)CC2)c1	EMOLS-id_315606143,PC-id_81251528	288.837	BPUPSBMKTDCVRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050327
CN(CC(CNC1CCc2c1cc(s2)Cl)(O)C)C	PC-id_103904389	288.837	AACZOGPXIDGYKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050328
CN(CCOCCNC1CCc2c1cc(s2)Cl)C	PC-id_113916730	288.837	JASHWNWTZRVIHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050329
COC(=O)C1=C2CCCN2C(=C1Cl)C(=O)C(=O)Cl	PC-id_149114432	288.991	QYCBTJJLPJPYBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050330
CCC1=C([I-]c2cncn12)C(C)C	PC-id_163580188	289.021	DTDZHBLAAMXFLN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-050331
COC1=C(NC=C1)C=C2C3=C(NC2=O)SC(=C3)C(=O)[O-]	PC-id_153775827	289.029	JAAAGZILAKXILH-UHFFFAOYSA-M	00000010110000000000000010000000000000000000000000000000	25-01-050332
COC1=C(NC=C1)/C=C/C3=C(NC2=O)SC(=C3)C(=O)[O-]	PC-id_154452355	289.029	JAAAGZILAKXILH-XQRVVYSFSA-M	00000010110000000000000010000000000000000000000000000000	25-01-050333
C1CN2C=C(C=C2C1C(=O)OC(=O)C3=CC=CC=C3)Cl	PC-id_148242795	289.051	NMOJEMYWPHXSFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050334
C1C2=CN(N=C2CN1)SC3=NN(C=C3)CC(F)(F)F	PC-id_164872303	289.061	VWGCMRAENATNLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050335
CC1=CC=C(C=C1)S(=O)(=O)N2C=C3CCC(C3=C2)(C)C	PC-id_154715143	289.114	ZUEWHXDQNACTOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050336
CCC1CC2=CN(C=C2C1)S(=O)(=O)C3=CC=C(C=C3)C	PC-id_154715142	289.114	JOJILYBYCNFABR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050337
CC1=NN2CCN(C2=C1C(=O)OC)CC3=CC(=CC=C3)F	PC-id_161932602	289.123	DNCXBDLSDPKTKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050338
CC1=NN2CCN(C2=C1C(=O)OC)CC3=CC=CC=C3F	PC-id_161945834	289.123	GPXUGRURNLOKMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050339
CC(C)(C)OC(=O)N1CCn2nnc(Br)c12	EMOLS-id_324188324	289.129	BERFDEUZCBZCKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050340
CC1(C2=C(CN1C(=O)NC3=CC=CC=C3F)C(=NN2)N)C	PC-id_160462288	289.134	QMYUFWLHZAAGDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050341
C1CC2=CC(=NN2C1)CN3C=C(C=N3)O[C@@H]4COC[C@@H]4N	EMOLS-id_257951028,MCULE-7474040777,PC-id_154768078	289.154	XJTTUQXPLZYBLQ-UONOGXRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050342
CC(=C)CN1C2=C(CCC2)C(=N1)C(=O)N3CC[C@](C3)(C)O	PC-id_153575365	289.179	PLLOMNAMKDCUSU-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050343
Brc1c2CCCc2sc1CC(C)C(=O)O	PC-id_84814663	289.189	FSOFQJGVHUFZPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050344
Brc1c2CCCc2sc1C(CC)C(=O)O	PC-id_84814665	289.189	ZJXRABCXLSCYKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050345
Brc1c2CCCc2sc1C(CC(=O)O)C	PC-id_84814664	289.189	WFKPWVPIIMHBAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050346
Brc1sc2CC(Cc2c1)(C)C(=O)OCC	PC-id_77959669	289.189	AGMIDNGFVUXWOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050347
Brc1sc2C[C@](Cc2c1)(C)C(=O)OCC	SCHEMBL13575467,PC-id_70943329	289.189	AGMIDNGFVUXWOQ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050348
CC1CC(c2c1c(C(=O)O)c(s2)Br)(C)C	PC-id_106664685,EMOLS-id_313651805	289.189	BDOYNCGAZJLAQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050349
COC(=O)c1sc(c2c1CC(C2)(C)C)Br	SCHEMBL20892504,PC-id_138538651	289.189	BWBLNCLZCMKIRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050350
C1CC(CN(C1)CC2=NN=C3N2CCC3)C(=O)NC4CC4	MCULE-8616291184,PC-id_165434482,EMOLS-id_337862514	289.19	QGMGNOXTWNQVOR-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-050351
BrC(CC)C(=O)Nc1sc2CCCc2n1	PC-id_62855465,EMOLS-id_39426941	289.192	SIYBZWULVBAYKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050352
O=C(C(Br)(C)C)Nc1sc2c(n1)CCC2	PC-id_114328494,EMOLS-id_262294173	289.192	ZSOVSMCFIZCHOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050353
S1Cc2n(C1)cc(c2C(F)(F)F)C(=O)C(F)(F)F	PC-id_23236785	289.198	LOHAQYNCMMXDFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050354
BrCc1cc2c(s1)C(N(C2(C)C)[O])(C)C	PC-id_101859923	289.212	HCTAQWRWIRLFPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050355
O1C(OC(=O)C(=CC2=C(O)c3n(C2=O)ccc3)C1=O)(C)C	PC-id_54734612	289.24	ARRBSDDOKZYDBB-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-050356
OC(=O)C1(CCn2c1ccc2C(=O)c1ccco1)C(=O)O	PC-id_19914097,SCHEMBL9690037	289.24	KUBLITLOLHKZIS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-050357
C1C(Oc2nc(cn12)[N+](=O)[O-])COc1ccc(cc1)C=O	SCHEMBL3466318,PC-id_87531239	289.244	UWPGDXVPJVHSFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050358
ClC(c1sc2c(CCC2)c1)c1sccc1Cl	PC-id_80530602	289.244	TYEINMJOQQCLAG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050359
ClC(c1sc2c(CCC2)c1)c1sc(Cl)cc1	PC-id_63432463	289.244	ZYXSDWJNOJJGRE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050360
O=C(c1n(C)nc2c1CCC2)N1CC(C1)(O)C(F)(F)F	EMOLS-id_318853575	289.254	ZYHPYTMCRQPHTO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-050361
O=C(c1nn2c(c1)OCC2)NC(C(F)(F)F)(C1CC1)C	EMOLS-id_99751666	289.254	RRZUMYVBBFJDLP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050362
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1F)C	PC-id_135993996,MCULE-4391967086	289.265	CPJVBWTUNKPYPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050363
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)F)C	STOCK6S-45360,MCULE-9193455213,PC-id_135635942,EMOLS-id_17098027	289.265	BETNEUBODQLIKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050364
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(F)c1)C	MCULE-7197104349,PC-id_135629424,STOCK6S-72010,EMOLS-id_24581727	289.265	WBNFCYAENHELRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050365
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(F)c1)C(=O)N2	PC-id_135902673,ZINC22_20735410	289.265	WBNFCYAENHELRQ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-050366
Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc(F)c1)C(=O)N2	ZINC22_20735407,PC-id_135902672	289.265	WBNFCYAENHELRQ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050367
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2	PC-id_135924913,ZINC22_13688685	289.265	BETNEUBODQLIKI-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050368
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2	ZINC22_13688688,PC-id_135924914	289.265	BETNEUBODQLIKI-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-050369
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2920414,PC-id_68441274	289.265	OHLHPYMBIZINIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050370
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2921952,PC-id_68441782	289.265	CBXLXWYIMZSWRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050371
Fc1c(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)N)cccc1	SCHEMBL2922702,PC-id_68442097	289.265	CSRJWAYLYDHHOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050372
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1ccc(cc1F)F	PC-id_67269530,SCHEMBL2076171	289.277	TZFDYTVFAVZNQN-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050373
COC(=O)c1cc2c([nH]1)CC/C/2=C/c1ccc(cc1F)F	SCHEMBL2076170,PC-id_67269529	289.277	TZFDYTVFAVZNQN-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050374
Fc1c(C=C2CCc3[nH]c(cc23)C(=O)OC)ccc(F)c1	PC-id_67269531	289.277	TZFDYTVFAVZNQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050375
c12CN(Cc1nn(CC(F)F)c2O)C(=O)OC(C)(C)C	EMOLS-id_324338282,MCULE-5376961453	289.278	XBWOHLANODVWST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050376
FC(c1csc(n1)NCc1nnc2n1CCC2)(F)F	MCULE-1773384360,EMOLS-id_318731527	289.28	ULQDNSTXOISZPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050377
Fc1c(NC(c2n3CCCc3nn2)C)c(F)cc(c1)C#N	PC-id_75522213,EMOLS-id_49350777,MCULE-3918309601	289.283	PMWDVKYDPAIXHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050378
N#Cc1cc(F)c(c(c1)F)N[C@H](c1nnc2n1CCC2)C	PC-id_97827198	289.283	PMWDVKYDPAIXHR-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050379
N#Cc1cc(F)c(c(c1)F)N[C@@H](c1nnc2n1CCC2)C	PC-id_97827199	289.283	PMWDVKYDPAIXHR-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050380
Cc1ccc(OC[C@@]2(C)Cn3cc([N+](=O)[O-])nc3O2)cc1	CHEMBL376416,PC-id_6483569	289.287	JPPUXKFAYBUGBC-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050381
COc1coc(cc1=O)C(=O)NCc1cnc2n1CCC2	MCULE-2243351652,EMOLS-id_319981202	289.287	SEFRJRKPQXFVLW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050382
COC(=O)c1cc(nn1C)NC(=O)c1occ2c1CCC2	EMOLS-id_257983712,MCULE-3426086610	289.287	WKEBKIBTHFVSMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050383
COC(=O)c1nn(c(c1)NC(=O)c1occ2c1CCC2)C	EMOLS-id_319418602	289.287	QBYOZVHRDIMRST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050384
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(cc1)C)C	PC-id_78413376	289.287	JPPUXKFAYBUGBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050385
Oc1ccc(cc1)C(CNC(=O)c1nn2c(c1)OCC2)O	EMOLS-id_319062769	289.287	SEWRQOSATPAJQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050386
O=C(c1occ2c1CCC2)NCc1cn(C)c(=O)[nH]c1=O	EMOLS-id_319418123	289.287	KMUGAQYOVKTXQW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050387
OC(=O)CCn1ccc(n1)NC(=O)c1occ2c1CCC2	MCULE-8680636669,EMOLS-id_320224290	289.287	ULUFEJXAPFERHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050388
OC(=O)Cn1nc(cc1NC(=O)c1occ2c1CCC2)C	EMOLS-id_319468691	289.287	OUJDKDICISZJML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050389
OC(=O)O[C@H]1CCc2n1c(=O)n(n2)Cc1ccc(cc1)C	SCHEMBL19584328	289.287	RWDFJKCSHBNKBT-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050390
O=[N+]([O-])c1cn2c(n1)OC(COCCc1ccccc1)C2	CHEMBL216999,PC-id_16099120	289.287	XLMIQCAWSMZVKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050391
N#Cc1c(NC(=O)c2cncc(F)c2)nc2n1CCS2	ZINC22_120665835,EMOLS-id_177239939,MCULE-3244585780	289.288	JXKMRZZWYGSRDY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050392
S1CCn2c1nc(NC(=O)c1cc(F)ncc1)c2C#N	PC-id_60324263	289.288	BJEGZZNWPWHZSB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050393
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)[nH]c(=O)[nH]c(=O)c1	EMOLS-id_49866634,MCULE-5700098725,PC-id_77078684,ZINC22_214959806	289.29	DLBLHXMPCGKLFI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050394
COC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=N)CC1=O	PC-id_136649481	289.29	VBIVHYNEDRPNRM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050395
COC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=O)CC1=N	PC-id_136510733	289.29	FQXZPHLZQNMHDR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050396
COC1=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=CC1=N)O	SCHEMBL3858940	289.29	FHCIHCNDUPZVOO-LTYSEWIJSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050397
COC1=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=CC1=O)N	SCHEMBL3859767,PC-id_57577954	289.29	NGLSQDKBTWPLTF-LZYBPNLTSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050398
COC(=O)c1nn(c(c1)NC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_319656148	289.29	RBTRLZBZFIFWTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050399
COC(=O)c1nn(c(c1)NC(=O)c1cnc2n1CCC2)C	EMOLS-id_319343557	289.29	BRIKGFSURIKGFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050400
Oc1ccnc(n1)CCN(C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_319995336,MCULE-4020685467	289.29	VCCXFFGEKLPXIE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050401
O=c1n2n(CCC2)c(N)c1/N=C/1C=C(OC)C(=CC1=O)N	PC-id_57577988	289.29	SKRYMANKSRMULO-LZYBPNLTSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050402
O=C(c1cn(C)c(=O)[nH]c1=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98809555	289.29	UMEUVWQGSSROMW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050403
O=C(c1n[nH]c2c1CCC2)N1CCOCC1c1nocn1	EMOLS-id_98488294,MCULE-5942426389	289.29	NXVUWKLNVVJAQF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050404
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H]1c1ncon1	ZINC22_329062451	289.29	NXVUWKLNVVJAQF-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-050405
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H]1c1ncon1	ZINC22_329062452	289.29	NXVUWKLNVVJAQF-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050406
O=C(c1occ2c1CCC2)N1CCOCC1c1nnn[nH]1	MCULE-9683185556,EMOLS-id_316554437	289.29	WHFWORKBQSYERS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050407
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)Cn1cncc1	SCHEMBL12307469,PC-id_58440785	289.293	LMNBHTUWTUTTRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050408
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)(C)C)n1	EMOLS-id_1359743,CoCoCo_225002,ZINC22_303777,MCULE-6158694413,PC-id_798540,TIMTEC520532	289.297	WEGMSWLLIIVILD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050409
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCCCC)n1	MCULE-2131361309,PC-id_3136373,ZINC22_2489006,BAS-01939678,EMOLS-id_1359741,CoCoCo_225001	289.297	NPDYZSICSFGHEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050410
CC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	CoCoCo_224999,PC-id_1129762,ZINC22_869835	289.297	GLQZENBZZYOGTK-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050411
CC[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_869836,CoCoCo_225000,PC-id_1129761	289.297	GLQZENBZZYOGTK-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050412
CCC(NC(=O)Cn1nc(c2c1CCC2)C(F)(F)F)C	PC-id_3136372,ChEMBL-DNDi_CHEMBL1867363,BAS-01939677	289.297	GLQZENBZZYOGTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050413
CCNC(=O)C(CC)n1nc(c2CCCc12)C(F)(F)F	PC-id_19590835,MCULE-6992613714,EMOLS-id_8867157,TIMTEC375592	289.297	PEQKIHNCTVNZTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050414
CCNC(=O)[C@H](CC)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092558,ZINC22_20607673	289.297	PEQKIHNCTVNZTH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-050415
CCNC(=O)[C@@H](CC)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607672,PC-id_29092557	289.297	PEQKIHNCTVNZTH-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050416
CCOC(=O)c1c(NC(=O)C(F)F)sc2c1CCC2	PC-id_103515372	289.298	JBAYTJFZNVOIDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050417
FC(CC(C(=O)O)NC(=O)c1sc2c(c1)CCC2)F	PC-id_121651938,MCULE-5033443929,EMOLS-id_71277404	289.298	RVGQTWVLULBAKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050418
c1(C(=O)NCCOc2ccccc2F)c2CCCc2[nH]n1	EMOLS-id_36441994,MCULE-4607976872,PC-id_56711003,ZINC22_67855303	289.305	NDXBBLVPRCVZGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050419
c1(NC(=O)COc2ccc(cc2)F)n(C)nc2CCCc12	ZINC22_38511259,MCULE-2966692059,EMOLS-id_43484317,PC-id_45536820	289.305	AYTQIDSBDMUMCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050420
COc1ccc(cc1C(=O)NCc1n[nH]c2c1CCC2)F	MCULE-9511154672,EMOLS-id_320265977	289.305	OCJMMKATPIXOFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050421
COc1ccc(cc1F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318994625	289.305	WINNKRSLXSIVGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050422
COc1cc(ccc1F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319078284	289.305	IZIORRGZCFOLEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050423
COc1cccc(c1F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319235559	289.305	LDTUGUDFJYZZLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050424
COc1ccc(c(c1)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319031364	289.305	STGXRDHJHARSEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050425
COc1cc(ccc1F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319718389	289.305	HARCDNNPJKTFFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050426
CO[C@](C)(C(=O)N1CCn2nccc12)c1ccccc1F	ZINC22_375577692	289.305	KZVNBNYPMJUSDP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050427
CO[C@@](C)(C(=O)N1CCn2nccc12)c1ccccc1F	ZINC22_375577693	289.305	KZVNBNYPMJUSDP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050428
COC(C(=O)N1CCn2c1ccn2)(c1ccccc1F)C	EMOLS-id_316054940,MCULE-7677050536	289.305	KZVNBNYPMJUSDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050429
Fc1c(C(c2n3CCCc3nn2)C(=O)OCC)cccc1	PC-id_79482664	289.305	WNVJTSTWBXYKHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050430
Fc1cc(C(c2n3CCCc3nn2)C(=O)OCC)ccc1	PC-id_79482660	289.305	QFVGISDMNSEVLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050431
Fc1ccc(cc1)C(CNC(=O)c1n[nH]c2c1CCC2)O	PC-id_110899056	289.305	KVCGCDKDBNWFQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050432
Fc1ccc(C(c2n3CCCc3nn2)C(=O)OCC)cc1	PC-id_79482662	289.305	FZUVJCVYRVYDFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050433
Fc1c(OCC(=O)Nc2n(nc3c2CCC3)C)cccc1	PC-id_45536819	289.305	PHSBGTITRWWNLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050434
FCC(c1ccccc1C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318800894	289.305	LDSQFFCCIVJYMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050435
OC(c1ccccc1F)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111565692	289.305	OQVQISJCHPGVMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050436
OCc1ccc(cc1F)C(=O)NCc1n[nH]c2c1CCC2	MCULE-9755482957,EMOLS-id_320143937	289.305	FNVHWOKAYWLOJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050437
OCc1cc(CNC(=O)c2n[nH]c3c2CCC3)ccc1F	PC-id_112422173	289.305	RPUXXYSNWOKZMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050438
O=C(Cc1ccc(c(c1)F)O)NCc1cnc2n1CCC2	EMOLS-id_319589580	289.305	BLLANIIMBLTRCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050439
O=C(Cc1ccc(c(c1)F)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319931340,MCULE-4455771423	289.305	VVGPIOPEOBYCCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050440
O=C(NCc1cnc2n1CCC2)COc1ccc(cc1)F	EMOLS-id_320226653,MCULE-7925080346	289.305	KEDSOSQWMRFHEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050441
O=C(NCc1n[nH]c2c1CCC2)COc1ccccc1F	MCULE-8029335552,EMOLS-id_320127827	289.305	TUHDGWCBYZIXHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050442
C1Cc2c(C1)oc(c2)C=C1C2N(C1=O)C(=CS2)C(=O)O	SCHEMBL4666047,PC-id_90985992	289.306	ACMPAEDLERRGLP-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050443
O=C(c1sc2c(c1)CCC2)Oc1ccc(cc1)[N+](=O)[O-]	EMOLS-id_3437935,PC-id_4798349,MCULE-1272932614,CoCoCo_3262988	289.306	UJAQYJPVTRSDMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050444
OC(=O)C1=CSC2N1C(=O)/C/2=C/c1oc2c(c1)CCC2	PC-id_21941422,SCHEMBL4666045	289.306	ACMPAEDLERRGLP-UITAMQMPSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050445
OC(=O)C1=CS[C@H]2N1C(=O)/C/2=C/c1oc2c(c1)CCC2	SCHEMBL3548202,PC-id_68685564	289.306	ACMPAEDLERRGLP-WYOARUQKSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050446
Cc1ccc(c(c1)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319123683	289.308	PWTHLKAFSVELLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050447
Cc1cc(cc(c1)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319482044	289.308	SOOKWXGVPOMCJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050448
COCCNC(=O)c1oc2c(n1)CN(C2)S(=O)(=O)C	PC-id_97410651	289.308	LVGZQFFPPXLBMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050449
Fc1ccc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319446729	289.308	BRDUHTFGLWIVSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050450
Fc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319058118	289.308	WDPRFSFAVREWEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050451
Fc1c(ccc(NC(=O)NCc2n3CCCc3nn2)c1)C	PC-id_60446853	289.308	YSNPWDTXSLXUFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050452
Fc1c(cc(NC(=O)NCc2n3CCCc3nn2)cc1)C	PC-id_60249979	289.308	UDALSDMFUIJHLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050453
Fc1cc(c(NC(=O)NCc2n3CCCc3nn2)cc1)C	PC-id_60449236	289.308	RGMHMDJVEVJNDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050454
Fc1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1N	PC-id_62681507	289.308	JCGLTNBGGBEBCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050455
Fc1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1N	PC-id_63188242	289.308	BAXIIHIQAOYPLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050456
Fc1cc(C(=O)N(Cc2n3CCCc3nn2)C)cc(N)c1	PC-id_81534383	289.308	FNHTUDWFCVJXAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050457
Fc1cc(C(=O)NC(c2n3CCCc3nn2)C)c(N)cc1	PC-id_43698105	289.308	BUMZTDRUCQJPBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050458
Fc1cc(C(=O)N(Cc2n3CCCc3nn2)C)c(N)cc1	PC-id_60963482	289.308	HOWXBASDJFQEIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050459
Fc1cc(N)c(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_63110336	289.308	BVZHZBPZBOJKJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050460
Fc1cc(N)c(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_63110583	289.308	YGOZGXGBDQPXTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050461
Fc1cc(NC(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_60446531	289.308	OFZFCTUHPXFGTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050462
Fc1c(C(=O)N(Cc2n3CCCc3nn2)C)ccc(N)c1	PC-id_61704236	289.308	IKNDTZVEOHOGEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050463
Fc1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(N)cc1	PC-id_61110680	289.308	UMOORYURVNWROQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050464
Fc1c(N)cc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_61110492	289.308	YSKJIIUXPXBMCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050465
Fc1c(N)c(C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_81500004	289.308	ABJQTGOVSQXACK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050466
Fc1c(N)c(C(=O)NC(c2n3CCCc3nn2)C)ccc1	PC-id_81500683	289.308	YKENGGOKHBFKPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050467
Fc1c(NC(=O)NCc2n3CCCc3nn2)ccc(c1)C	PC-id_60446640	289.308	XXEUJJIWGMBZTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050468
Fc1c(NC(=O)NCc2n3CCCc3nn2)cc(cc1)C	PC-id_60449214	289.308	UNGPSIXUVHHLES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050469
Nc1ccc(c(c1)F)C(=O)NC(c1nnc2n1CCC2)C	PC-id_107793789	289.308	HYCKOFHCBMPQSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050470
NCc1ccc(c(c1)F)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318904140	289.308	NQSMISDIZIKXQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050471
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)C)F	EMOLS-id_319512609	289.308	ZGSVZCAFPHOCFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050472
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1C)F	EMOLS-id_319773575	289.308	JUUDXRDILZINHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050473
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)F)C	EMOLS-id_319672973	289.308	BGBUJWATBYUGFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050474
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1F)C	EMOLS-id_319739222	289.308	FFNHZSAVASDDDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050475
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1c(C)cccc1F	EMOLS-id_319658300	289.308	MJGOMJVCQVVLQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050476
O=C(NCc1cccc(F)c1)NCc1nnc2n1CCC2	ZINC22_48372911,MCULE-7390559630,EMOLS-id_36636503,PC-id_52303591	289.308	SFMHSQGZTMECSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050477
O=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)F	MCULE-3129915954,EMOLS-id_257837193	289.308	YKGHGYNYEMFDMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050478
O=C(NCCc1nnc2n1CCC2)Nc1cccc(F)c1	MCULE-3718177463,ZINC22_72306215,EMOLS-id_42915940,PC-id_72113718	289.308	ZTIGBZPWLMRFOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050479
C1Cc2nc(cn2C1)C=C1C2N(C1=O)C(=CS2)C(=O)O	PC-id_91129340,SCHEMBL2929074	289.31	SFVSKJYLOIWSMM-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050480
C1C=C(N2C1C(=Cc1cn3CSCc3n1)C2=O)C(=O)O	PC-id_91235516,SCHEMBL3218953	289.31	GGRWBOSUMTWXQP-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050481
C1C=C(N2C1C(=Cc1nn3CSCc3c1)C2=O)C(=O)O	PC-id_90894667,SCHEMBL3208938	289.31	HDKXKCYXXFHCGA-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050482
C1CSc2ncc(n12)C=C1C2CC=C(N2C1=O)C(=O)O	PC-id_90887952	289.31	HIGFATOWKKUCFE-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050483
c1(snc2CCCc12)NC(=O)c1ccc(cc1)N(=O)=O	PC-id_54774459,MCULE-2627557982	289.31	PTUFPUDFKZHHCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050484
c1(snc2CCCc12)NC(=O)c1cccc(c1)N(=O)=O	PC-id_54774468,MCULE-8472644440	289.31	SUPUFTACLRDEGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050485
COc1cc(/C=c/2sc3nc(C)nn3c2=O)ccc1O	EMOLS-id_324838892	289.31	VUAULMUGLQNANH-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050486
COc1ccc(/C=c/2sc3ncnn3c2=O)cc1OC	EMOLS-id_2452070,ZINC22_12579548,ChEMBL-DNDi_CHEMBL5629-0572	289.31	GPPBCMUMBQILRL-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050487
COc1ccc(/C=c/sc3ncnn3c2=O)cc1OC	ZINC22_208341	289.31	GPPBCMUMBQILRL-IZZDOVSWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050488
COc1ccc(C=c2sc3ncnn3c2=O)cc1OC	ZINC22_254566155,MCULE-5335447907,EMOLS-id_300082754	289.31	GPPBCMUMBQILRL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050489
COc1ccc(/C=c/2sc3ncnn3c2=O)c(OC)c1	EMOLS-id_9063136,ZINC22_16732950	289.31	SEDSGBZRELRGBG-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050490
COc1ccc(/C=c/sc3ncnn3c2=O)c(OC)c1	ZINC22_208310	289.31	SEDSGBZRELRGBG-VZUCSPMQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050491
COc1ccc(/C=c/2sc3nncn3c2=O)c(OC)c1	ZINC22_13547541	289.31	OQXIZXKFFCOQIF-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050492
COc1cccc(/C=c/2sc3ncnn3c2=O)c1OC	CT-id_2236207,ZINC22_16264874,EMOLS-id_2452242	289.31	LFYYKHFPMXBSFE-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-050493
COc1cccc(C=c2sc3ncnn3c2=O)c1OC	MCULE-3856063825,ZINC22_254485232,EMOLS-id_300084802	289.31	LFYYKHFPMXBSFE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050494
COc1ccc(OC)c(/C=c/2sc3ncnn3c2=O)c1	EMOLS-id_2457241,ZINC22_16267185	289.31	ICIUFIALYVSQMQ-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050495
COc1ccc(OC)c(C=c2sc3ncnn3c2=O)c1	ZINC22_254566240,EMOLS-id_300086085,MCULE-5323749289	289.31	ICIUFIALYVSQMQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050496
COc1ccc(OC)c(/C=c/2sc3nncn3c2=O)c1	ZINC22_13547543	289.31	QCCZWTGQFWVRJD-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050497
COc1cc[nH]c1/C=C
/C(=O)Nc2c1cc(s2)C(=O)N	PC-id_18626977,SCHEMBL6628692	289.31	LBHAOJNTEANTBW-GQCTYLIASA-N	00000010110000000000000010000000000000000000000000000000	25-01-050498
COc1cc[nH]c1C=C1C(=O)Nc2c1cc(s2)C(=O)N	PC-id_69844752,SCHEMBL6628698	289.31	LBHAOJNTEANTBW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-050499
COc1cc[nH]c1/C=C/1C(=O)Nc2c1cc(s2)C(=O)N	SCHEMBL6628689	289.31	LBHAOJNTEANTBW-XQRVVYSFSA-N	00000010110000000000000010000000000000000000000000000000	25-01-050500
COCc1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324901891	289.31	YGQLSTZSKQALHD-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-050501
COCc1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324901888	289.31	LXWPWIXQKBCLKU-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-050502
n12ncnc1sc(=Cc1ccc(cc1OC)OC)c2=O	EMOLS-id_300094781,MCULE-4719605188	289.31	SEDSGBZRELRGBG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050503
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COC	MCULE-5210258462	289.31	YGQLSTZSKQALHD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050504
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)COC	MCULE-6068634090	289.31	LXWPWIXQKBCLKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050505
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)C	MCULE-3280121748	289.31	VUAULMUGLQNANH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050506
O=C1/C(=C/c2cn3c(n2)CCC3)/C2N1C(=CS2)C(=O)O	SCHEMBL2929072,PC-id_21941363	289.31	SFVSKJYLOIWSMM-YWEYNIOJSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050507
O=C1/C(=C/c2cn3c(n2)CCC3)/[C@@H]2N1C(=CS2)C(=O)O	SCHEMBL3553666,PC-id_15949099	289.31	SFVSKJYLOIWSMM-HXUAIIEXSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050508
O=C1/C(=C/c2cn3c(n2)CSC3)/C2N1C(=CC2)C(=O)O	PC-id_46182431,SCHEMBL3218941	289.31	GGRWBOSUMTWXQP-FPYGCLRLSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050509
O=C1/C(=C/c2nn3c(c2)CCC3)/C2N1C(=CS2)C(=O)O	PC-id_21941430,SCHEMBL6793795	289.31	YJSNNWLWFJHTLH-UITAMQMPSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050510
O=C1C(=Cc2nn3c(c2)CCC3)C2N1C(=CS2)C(=O)O	SCHEMBL6793799,PC-id_10403172	289.31	YJSNNWLWFJHTLH-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050511
O=C1C(=Cc2nn3c(c2)CCC3)[C@@H]2N1C(=CS2)C(=O)O	PC-id_69204738,SCHEMBL4823368	289.31	YJSNNWLWFJHTLH-GFCCVEGCSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050512
O=C1/C(=C/c2nn3c(c2)CSC3)/C2N1C(=CC2)C(=O)O	PC-id_46182429,SCHEMBL3208930	289.31	HDKXKCYXXFHCGA-RUDMXATFSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050513
O=C(c1ccnc(c1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_104189399	289.31	MOASQUONFKBRKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050514
O=C(c1ccnnc1)Nc1sc2c(c1C(=O)O)CCC2	PC-id_104669413	289.31	AJTUPLVZRHZTQK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050515
O=C(c1cncnc1)Nc1sc2c(c1C(=O)O)CCC2	PC-id_102921382	289.31	FOCJAKQYTLQEMH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050516
O=C(Nc1nc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1	MCULE-9350942563,PC-id_3527763,ZINC22_6526532,EMOLS-id_21277118,CoCoCo_4163993	289.31	PSOUYLZCLWJZSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050517
O=C(Nc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1	MCULE-2881883703,ZINC22_6526660,PC-id_4172860,CoCoCo_4164006,EMOLS-id_43971834	289.31	ASXSLAIYXZBVQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050518
OC(=O)C1=CCC2N1C(=O)/C/2=C/c1cn2c(n1)SCC2	SCHEMBL13424044,PC-id_59229741	289.31	PTENKFAFVBYTFD-VMPITWQZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050519
OC(=O)C1=CCC2N1C(=O)/C/2=C/c1cnc2n1CCS2	PC-id_68556852,SCHEMBL3227219	289.31	HIGFATOWKKUCFE-VMPITWQZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050520
CC(C)c1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324848363	289.328	USUSVRKDXNIUBR-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050543
O=C(O)C1=CS[C@@H]2/C(=Cc3cc4n(n3)CCC4)/C(=O)N12	SCHEMBL2928465,PC-id_11186006,CHEMBL1205634	289.31	YJSNNWLWFJHTLH-DJTUGOFGSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050521
s1c2CCCc2cc1C(=O)Nc1nccnc1C(=O)O	PC-id_63261856	289.31	BWDZGRXNWIAIIR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050522
s1c2CCCc2nc1NC(=O)c1ccc(nc1)C(=O)O	PC-id_60725263	289.31	MZMAFRRALPFYLV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050523
s1c2CCCc2nc1NC(=O)c1c([N+](=O)[O-])cccc1	PC-id_4051668	289.31	FFEVNAYYXODQOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050524
s1c2CCCc2nc1NC(=O)c1ncc(cc1)C(=O)O	PC-id_60755855	289.31	BCGKDLWXRDAFRZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050525
s1c2CCCc2nc1NC(=O)c1nc(ccc1)C(=O)O	PC-id_61510422	289.31	OYAGAEVATFZWEQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050526
s1c2CCCc2nc1NC(=O)c1ncccc1C(=O)O	PC-id_63615433	289.31	WSJCBVZJWBWKIV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050527
S1c2n(CC1)cc(n2)C=C1C2N(C1=O)C(=CC2)C(=O)O	PC-id_75162144	289.31	PTENKFAFVBYTFD-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-050528
S1c2n(CC1)cc(n2)/C=C/1[C@@H]2N(C1=O)C(=CC2)C(=O)O	PC-id_46175124	289.31	PTENKFAFVBYTFD-WHXYTISESA-N	00001011100000000001001010000000000000000000000000000000	25-01-050529
N#Cc1c(NC(=O)Cc2noc(c2)C)nc2n1CCS2	EMOLS-id_99351241	289.313	XSRVHZNAVIMPHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050530
N#Cc1ncccc1S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319200778	289.313	QCTTVOZBXGTSSR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050531
s1c2CCCc2c(c1NC(=O)Cc1nonc1N)C#N	PC-id_82358269	289.313	ROIBCDGDYDBOTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050532
Fc1ccc(c(c1)F)C1(CCC1)NC1CCn2c1ncc2	MCULE-8344550673,EMOLS-id_318572454	289.323	FKSJYEUBPBPKKN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-050533
Fc1ccc(c(c1)F)C1(CNC2CCn3c2ncc3)CC1	MCULE-9078735003,EMOLS-id_317985028	289.323	PTZDGGHVBAFCOB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050534
Fc1ccc(cc1F)C=CCNC1CC(n2c1ncc2)C	EMOLS-id_318593136,MCULE-5078524747	289.323	MPDTYKUAEUWTMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050535
Fc1ccc(c(c1)F)C=CCNC1CC(n2c1ncc2)C	MCULE-9785999479,EMOLS-id_318666212	289.323	ATEFHUPAKGYPQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050536
O=C(c1c(c2n(CC(=C2C)C(=O)C)c1C)CCC(=O)O)C	PC-id_192627	289.326	MCBFYDVTVQJVCW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-050537
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CNC2)n1	MCULE-2948811408	289.328	CDYHKAWRALKYEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050538
CCc1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324843756	289.328	UOHLECNKZRUBAZ-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050539
CCCc1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324845295	289.328	CQSRQYZJKOEBFS-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050540
CC(C)c1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324847337	289.328	SMDJCDALYBXYEX-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050541
CCCc1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324846306	289.328	CIZONLUOEUVQRW-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050542
CCCc1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324844271	289.328	RCZJVHCKUKTAGC-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050544
CC(C)c1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324846313	289.328	MQKVHJPGIQQKSA-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050545
n12c(=O)c(=Cc3ccccc3F)sc1nc(C(C)C)n2	MCULE-4101552418	289.328	SMDJCDALYBXYEX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050546
n12c(=O)c(=Cc3cccc(F)c3)sc1nc(C(C)C)n2	MCULE-1474392800	289.328	USUSVRKDXNIUBR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050547
n12c(=O)c(=Cc3ccc(F)cc3)sc1nc(C(C)C)n2	MCULE-3082046075	289.328	MQKVHJPGIQQKSA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050548
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CCC	MCULE-7806548425	289.328	RCZJVHCKUKTAGC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050549
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCC	MCULE-9822573796	289.328	CQSRQYZJKOEBFS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050550
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCC	MCULE-4721585203	289.328	CIZONLUOEUVQRW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050551
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)CC	MCULE-9107784590	289.328	UOHLECNKZRUBAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050552
s1c2CNCc2nc1NC(=O)/C=C/c1ccc(F)cc1	PC-id_82194021	289.328	CDYHKAWRALKYEQ-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050553
s1c2CN(Cc2nc1N)C(=O)/C=C/c1ccc(F)cc1	PC-id_82194134	289.328	TVQGOJLTDMXDCQ-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050554
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](C(=O)O)C1)C1CC1	ZINC22_91695196,PC-id_70753307,EMOLS-id_44727608,MCULE-2000566473	289.33	LYMQCQCBAMCKFY-WDEREUQCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050555
Cc1ccc(o1)C(CNC(=O)c1n[nH]c2c1CCC2)(O)C	PC-id_111481625	289.33	KVGVUNFHCQYFNQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-050556
CC(CC(c1ccco1)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_112336927	289.33	DKBLATNHKIQYCP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-050557
Cn1nc2c(c1C(=O)N1CC[C@@H]3[C@H](C(=O)O)[C@@H]3C1)CCC2	ZINC22_910852345	289.33	UUPIKIQULVDDLI-XRNSZHNASA-N	00100010100010000001010010000000000000000000000000000000	25-01-050558
CN(Cc1cc2n(n1)CCC2)Cc1cc(c(o1)C)C(=O)O	MCULE-8023870391,EMOLS-id_319830256	289.33	IOKFNERCOUXHTG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-050559
COc1cn(nc1C(NC(=O)c1occ2c1CCC2)C)C	EMOLS-id_319249985	289.33	JZAMHRMGASPOCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050560
O=C(N[C@@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)[C@H]1Cc2nccn2C1	ZINC22_1875304522	289.33	MJRGZJZUCAMXHX-RMPHRYRLSA-N	00001010100000000001001010000000000000000000000000000000	25-01-050561
OC(=O)C1C(C2CC2)CN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_78081446	289.33	LYMQCQCBAMCKFY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050562
O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3Cc4nccn4C3)[C@@H]2C1	ZINC22_1875304520	289.33	MJRGZJZUCAMXHX-IYKVGLELSA-N	00001010100000000001001010000000000000000000000000000000	25-01-050563
O=C(O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3Cc4nccn4C3)[C@@H]2C1	ZINC22_1875304521	289.33	MJRGZJZUCAMXHX-LZQZFOIKSA-N	00001010100000000001001010000000000000000000000000000000	25-01-050564
O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@H]3Cc4nccn4C3)[C@@H]2C1	ZINC22_1875304523	289.33	MJRGZJZUCAMXHX-YBXAARCKSA-N	00001010100000000001001010000000000000000000000000000000	25-01-050565
O=C(O)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C1CC1	ZINC22_216280213	289.33	LYMQCQCBAMCKFY-MNOVXSKESA-N	00100010100000000001100010000000000000000000000000000000	25-01-050566
c1(CN(C)CC(=O)Nc2cc(on2)C)c2CCCc2[nH]n1	EMOLS-id_55677511,MCULE-9036082742,ZINC22_243914962,PC-id_91839207	289.333	BLCLZWSYDXNGNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050567
C1(=C(NC(=O)NC1C)C)C(=O)NCc1c2CCCc2[nH]n1	EMOLS-id_36425350,MCULE-4285475617,PC-id_56703070	289.333	DUOJIFNAHMWFAZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050568
c1(C(=O)NCc2cncn2CCOC)c2CCCc2[nH]n1	ZINC22_215605551,PC-id_77086678,EMOLS-id_49880624,MCULE-8761326681	289.333	AQYIEWXRGPKNHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050569
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)oc(nn1)CCC	EMOLS-id_43194353,MCULE-6549005176,ZINC22_71752530,PC-id_56873447	289.333	GNRCXJNILJPCQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050570
c1(C(=O)N(C)Cc2noc(C(C)C)n2)c2CCCc2[nH]n1	EMOLS-id_43597955,MCULE-2145912892,PC-id_70775379,ZINC22_77505681	289.333	CLBVTPGNSNIEMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050571
c1(C(=O)NC(COC)c2ccnn2C)c2CCCc2[nH]n1	EMOLS-id_49884963,MCULE-7349220521,PC-id_77089189	289.333	KZHINSDRUJMESE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050572
c1n[nH]cc1O[C@@H]1COC[C@@H]1NCc1cc2n(n1)CCC2	MCULE-5415845230,ZINC22_685940988,EMOLS-id_316093653	289.333	NCYPPJMUXDUUMK-UONOGXRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050573
c1n[nH]cc1O[C@@H]1COC[C@@H]1NCc1cnn2c1CCC2	EMOLS-id_316094165,ZINC22_685940784,MCULE-4726859702	289.333	IFNPIIMUGMLSHL-GXTWGEPZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050574
Cc1c2n(CCO2)nc1C(=O)NCCCn1ccnc1C	PC-id_91959914	289.333	QHJXYAGJFDEATH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050575
CC1=C(C(=O)NCc2n[nH]c3c2CCC3)[C@@H](C)NC(=O)N1	ZINC22_67541075,PC-id_95192417	289.333	DUOJIFNAHMWFAZ-SSDOTTSWSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050576
CC1=C(C(=O)NCc2n[nH]c3c2CCC3)[C@H](C)NC(=O)N1	ZINC22_67541078,PC-id_95192418	289.333	DUOJIFNAHMWFAZ-ZETCQYMHSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050577
CC1C(=O)N(C(=O)N1C1CCC1)Cc1nnc2n1CCC2	EMOLS-id_100224934	289.333	DAZWFBWMKYCOPO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050578
CC1N(C2CC2)C(=O)N(C1=O)C(c1nnc2n1CCC2)C	EMOLS-id_100237030	289.333	LZBMUUPMNLTTIX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050579
Cc1noc(C)c1CC(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_36268948,MCULE-2401357698,ZINC22_42749725,PC-id_53522861	289.333	UNQARMKODDFJPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050580
Cc1noc(C)c1CC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_97065847,ZINC22_89526395	289.333	GUSYWZPYXOIEFG-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-050581
Cc1noc(C)c1CC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_89526396,PC-id_97065848	289.333	GUSYWZPYXOIEFG-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050582
Cc1noc(C(C)C)c1C(=O)NCc1nnc2n1CCC2	MCULE-7076111256,CoCoCo_4658154,ZINC22_40490019,EMOLS-id_31878666,PC-id_45806284	289.333	CMOJTSKDZWKMMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050583
CCc1nccn1CCCNC(=O)c1nn2CCOc2c1	PC-id_91959798	289.333	IIOWJTPFXFCCKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050584
CCc1onc(c1CNC(=O)C1NCc2c1c[nH]n2)CC	EMOLS-id_319465958	289.333	AJEIIPCPPBZRIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050585
CC(Cc1ccco1)NC(=O)NCc1nnc2n1CCC2	PC-id_71894908,MCULE-7834828763,EMOLS-id_45752807	289.333	XWIOLSAZCOILDF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-050586
CC(C)(C)c1nnc(C(=O)NCc2cnc3n2CCC3)o1	MCULE-7560085920,PC-id_146104063,ZINC22_1875282604,EMOLS-id_324020845	289.333	LBPMNUDPGGTYND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050587
C=CCN1CC(CC1=O)C(=O)NCc1nnc2CCCn12	PC-id_45213509,MCULE-2062142490,EMOLS-id_23819900	289.333	PJFBJAFVTCBRRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050588
C=CCN1C[C@@H](C(=O)NCc2nnc3n2CCC3)CC1=O	ZINC22_19223228,PC-id_28098587,CoCoCo_1398953	289.333	PJFBJAFVTCBRRN-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-050589
C=CCN1C[C@H](C(=O)NCc2nnc3n2CCC3)CC1=O	ZINC22_19223232,PC-id_28098589,CoCoCo_1398954	289.333	PJFBJAFVTCBRRN-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050590
CCCn1nc(c(c1)CNC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_319949517,MCULE-6266983802	289.333	RPAIOEFLFKEMJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050591
CC(Cn1[nH]c(cc1=O)CC(=O)N1CCn2c1ncc2)C	EMOLS-id_320181060,MCULE-6801123129	289.333	WQNMFZYECAHZPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050592
C[C@@H](Cc1ccco1)NC(=O)NCc1nnc2n1CCC2	PC-id_97087877,ZINC22_89904248	289.333	XWIOLSAZCOILDF-JTQLQIEISA-N	00000010101000000001000010000000000000000000000000000000	25-01-050593
C[C@H](Cc1ccco1)NC(=O)NCc1nnc2n1CCC2	ZINC22_61646364,PC-id_94890541	289.333	XWIOLSAZCOILDF-SNVBAGLBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-050594
CCN(Cc1ccco1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_32005098,ZINC22_45387717,MCULE-1378562402,PC-id_51084101	289.333	YSYTVEWEPKIGKE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-050595
Cn1cc(c(n1)C(NC(=O)c1n(C)nc2c1CCC2)C)O	EMOLS-id_320338996,MCULE-7758739289	289.333	GFHIYISBXXBMQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050596
Cn1ncc(c1)C(CNC(=O)c1n[nH]c2c1CCC2)(O)C	PC-id_111458631	289.333	RIEMBHVKPKINGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050597
CN(Cc1ccc(o1)C(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_319157409	289.333	IEHIKRJNZBWVCK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-050598
CN(CCn1cnc(n1)NC(=O)c1occ2c1CCC2)C	EMOLS-id_318800333	289.333	XGGAOUZIBXRLSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050599
COc1cn(nc1C(NC(=O)c1nn2c(c1)CCC2)C)C	EMOLS-id_319952156,MCULE-1028329930	289.333	IQFCVQLXTURQJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050600
COc1cn(nc1C(NC(=O)c1n[nH]c2c1CCC2)C)C	MCULE-6054398428,EMOLS-id_319974627	289.333	AHMMAQWKNSRFGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050601
COCc1nn(cc1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318862424	289.333	BMOYNTLCWJPWHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050602
COC[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccnn1C	PC-id_99937558,ZINC22_215814269	289.333	KZHINSDRUJMESE-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050603
COC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccnn1C	PC-id_99937560,ZINC22_215814313	289.333	KZHINSDRUJMESE-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-050604
CO[C@@H]1Cn2c(C1)cc(n2)C(=O)NCCCn1cccn1	EMOLS-id_316336477,MCULE-6005720024	289.333	YFHKAMOSLJOWJT-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050605
n1c(CNC(=O)CCC2=NNC(=O)CC2)c2c(CCC2)[nH]1	MCULE-9638400389,EMOLS-id_290049592,ZINC22_952988224	289.333	MXYJESOYGIEXCA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050606
o1nc(c(CC(=O)NC(c2n3CCCc3nn2)C)c1C)C	MCULE-1136853001,EMOLS-id_45751130,PC-id_71896174	289.333	GUSYWZPYXOIEFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050607
O=C1CN(C(=O)N1Cc1nnc2n1CCC2)C1CCCC1	EMOLS-id_99064115	289.333	SDDATQGCWRHOMZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050608
O=C1N(C2CC2)CC(C1)C(=O)NCc1n2CCCc2nn1	MCULE-4617560598,PC-id_53522022,EMOLS-id_36263434	289.333	IDTAMMXZFNTQDS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050609
O=C1NC(C(=O)N1C(c1nnc2n1CCC2)C)CC1CC1	EMOLS-id_100232461	289.333	XYPMYPUWPJPOCF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050610
O=C(C1NCc2c1c[nH]n2)NC1CC(=O)N(C1)CC1CC1	EMOLS-id_320210288,MCULE-7746943601	289.333	CDBBAOXUNJHBER-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050611
O=C(C1NCc2c1c[nH]n2)NCc1ncc(o1)C(C)(C)C	EMOLS-id_319668510	289.333	DALOGABANJCJDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050612
OCCn1ncc2c1CN(C2)C(=O)[C@H](Cn1cccn1)C	PC-id_95220629	289.333	NSAOWERJXXAMNE-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-050613
OCCn1ncc2c1CN(C2)C(=O)[C@@H](Cn1cccn1)C	PC-id_95220630	289.333	NSAOWERJXXAMNE-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050614
OCC(=O)N1Cc2c(C1)n(nc2Cn1cccn1)C(C)C	PC-id_97413585	289.333	PJTIOBRSHQFIPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050615
O=C(N1Cc2n(ncc2C1)CCO)C(Cn1nccc1)C	PC-id_56755455	289.333	NSAOWERJXXAMNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050616
O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(C2CC2)C1	ZINC22_43966434,PC-id_93976304	289.333	IDTAMMXZFNTQDS-SECBINFHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050617
O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(C2CC2)C1	ZINC22_43966436,PC-id_93976305	289.333	IDTAMMXZFNTQDS-VIFPVBQESA-N	00100010100000000001100010000000000000000000000000000000	25-01-050618
O(C(=O)c1[nH]c(CNC(c2n3CCCc3nn2)C)cc1)C	PC-id_79407279	289.333	QYVGGTVNHLRPMQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-050619
OC(=O)CN1Cc2c(C1)n(nc2Cn1cccn1)C(C)C	PC-id_97519270	289.333	RVTMMGYQZGUOJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050620
CC(CN(C(=O)c1cnc2n1CCC2)Cc1nnn[nH]1)C	EMOLS-id_319135413	289.336	FNLQLPAGVLKWHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050621
CC(CN(C(=O)c1cnn2c1CCC2)Cc1nnn[nH]1)C	EMOLS-id_319226624	289.336	UQWMOGRDYTXQGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050622
CC(C)Oc1cc(NCc2nnc3CCCn23)nc(N)n1	MCULE-1453993259,EMOLS-id_32388926,ZINC22_65394939,PC-id_50959077	289.336	OMJMMXNXHGKPFH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050623
Cn1cc(CCNC(=O)NCc2nnc3n2CCC3)cn1	MCULE-1089935120,EMOLS-id_45753818,PC-id_71893459,ZINC22_45387289	289.336	UFAPGNRXPNXNIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050624
CN(Cc1cnn(C)c1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_45743133,MCULE-3535234098,ZINC22_55077561,PC-id_71899818	289.336	ROKRINLVHNHLSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050625
CN(CCn1ccc(n1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319112397	289.336	PSKZFDUSFABDMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050626
CN(CCn1cnc(n1)NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318847971	289.336	UYWJKHPGFWDPIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050627
CN(CCn1cnc(n1)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_319325592	289.336	JFRGMWSLUHZOGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050628
CN(CCn1cnc(n1)NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318864907	289.336	NUIWKTXOIPTVOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050629
CN(CCn1nccc1NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319562555	289.336	FJEJLFRSVQNCGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050630
CN=C(N(Cc1nocc1)C)NCc1nnc2n1CCC2	PC-id_120053592	289.336	PBYFXNWVGANKGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050631
NCCn1cnc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_107496209	289.336	UXUPPJPPSVOYAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050632
NCCn1cnc(c1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_107497215	289.336	CCQCOKXKRQBHFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050633
O=C(c1nnn(n1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_320333380,MCULE-1938307891	289.336	QDHFUASXRBQMRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050634
O=C(N(Cc1n2CCCc2nn1)C)c1nc([nH]n1)C(C)C	PC-id_80379921	289.336	NNFHJQLZIMWWFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050635
O=C(N(Cc1n2CCCc2nn1)C)c1nc([nH]n1)CCC	PC-id_80379943	289.336	FJQDLIGDMVSAJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050636
O=C(NC(c1n2CCCc2nn1)C)c1nc([nH]n1)CCC	PC-id_80383894	289.336	PBMSEOMOKWXIGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050637
O=C(NC(c1n2CCCc2nn1)C)c1nc([nH]n1)C(C)C	PC-id_80383896	289.336	OJNZZHWCPFMAFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050638
O=C(N(Cc1n2CCCc2nn1)C)c1n(ncc1N)CC	PC-id_65357018	289.336	DMRQDLYKMROKJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050639
O=C(N(Cc1n2CCCc2nn1)C)c1nn(cc1N)CC	PC-id_65358292	289.336	FZOIXFBGLFYEQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050640
O=C(N(Cc1n2CCCc2nn1)C)c1n(nc(c1N)C)C	PC-id_66125535	289.336	WJCLXRFOWABXPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050641
O=C(N(Cc1n2CCCc2nn1)C)c1n[nH]c(c1N)CC	PC-id_62081475	289.336	YJVSBKPBBSXUJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050642
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)OCCF	MCULE-2825661363,EMOLS-id_330962934	289.348	ITSCJPBEPIFKEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050643
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(N)c12	MCULE-5189024089,EMOLS-id_331012003	289.348	UZWKMLMSZNDNIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050644
CCCC(=O)c1nn2c(n1)CCC2/C(=C/C=C)/C(=CC)/F	PC-id_142375291	289.348	NUVRKNJAYHMHFB-IAVOFVOCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050645
CCOc1ccc(Cn2nc3CCC(C)c3c2N)cc1F	EMOLS-id_331011747,MCULE-2153528562	289.348	GHSJCOZWTICNLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050646
CCOc1ccc(Cn2nc3CCC(C)c3c2N)c(F)c1	EMOLS-id_331012259,MCULE-1885001774	289.348	SSBWVWMUXRQCSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050647
CCOc1ccc(Cn2nc(N)c3C(C)CCc23)cc1F	MCULE-4084628164,EMOLS-id_330962678	289.348	GSUHRRTZOXTENY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050648
CCOc1ccc(Cn2nc(N)c3C(C)CCc23)c(F)c1	EMOLS-id_330963190,MCULE-9469688249	289.348	PPNAAWXLDOQIFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050649
C[C@](O)(CNCc1cnc2n1CCC2)c1ccc(F)cc1	ZINC22_850225679	289.348	GHQKPNHHZOZATR-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050650
C[C@@](O)(CNCc1cnc2n1CCC2)c1ccc(F)cc1	ZINC22_850225680	289.348	GHQKPNHHZOZATR-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050651
COc1ccc(cc1C(NC1CC(n2c1ncc2)C)C)F	EMOLS-id_318062873,MCULE-3891086778	289.348	OAPGACFFLQYXIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050652
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331012778,MCULE-5234813782	289.348	VROAANISYDXWNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050653
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1N	MCULE-9865380225,EMOLS-id_331010989	289.348	HOKXNQQYRBEWSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050654
COc1ccc(c(c1)F)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318117095,MCULE-8206809792	289.348	SVPCHEFUHVSUJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050655
COc1ccc(cc1F)C(NC1CC(n2c1ncc2)C)C	MCULE-3364679746,EMOLS-id_318474017	289.348	WDXLOYGXHUJCBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050656
COc1cccc(C(C)n2nc3CCC(C)c3c2N)c1F	MCULE-5364103136,EMOLS-id_331011501	289.348	KYWADBOFEGJFOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050657
COc1cccc(Cn2nc3CCC(C)c3c2CN)c1F	MCULE-9282339684,EMOLS-id_330994616	289.348	JQBVVTCROWKPSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050658
COc1ccc(C(C)n2nc3CCC(C)c3c2N)c(F)c1	MCULE-6557317808,EMOLS-id_331012522	289.348	WSWZIDLZQQZJIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050659
COc1cccc(Cn2nc(CN)c3C(C)CCc23)c1F	MCULE-9631138066,EMOLS-id_331012861	289.348	INCDDHQBHWLMRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050660
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331012014,MCULE-8025146550	289.348	SJTJQKQPCUGNNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050661
COc1cccc(F)c1Cn1nc2CCC(C)c2c1CN	MCULE-9641293128,EMOLS-id_330993850	289.348	IWIVPUMHCCIKFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050662
COc1cccc(F)c1Cn1nc(CN)c2C(C)CCc12	MCULE-6736887901,EMOLS-id_331012095	289.348	JTOPOJWJZKGZLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050663
COc1ccc(Cn2nc3CCC(C)c3c2CN)cc1F	EMOLS-id_330996152,MCULE-4437069917	289.348	XOIBQNNFECPSKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050664
COc1ccc(Cn2nc3CCC(C)c3c2CN)c(F)c1	EMOLS-id_330996408,MCULE-1147883577	289.348	SAGWMGKQGYCCDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050665
COc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1F	MCULE-2984261908,EMOLS-id_331010302	289.348	PLEDIMSJDCFXKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050666
COc1ccc(Cn2nc(CN)c3C(C)CCc23)c(F)c1	EMOLS-id_331010558,MCULE-7573515424	289.348	URDZFRXPRCFCPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050667
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1N	MCULE-1193744108,EMOLS-id_331011758	289.348	RQZJLXXYFJYXAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050668
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1CN	MCULE-1501422581,EMOLS-id_330997689	289.348	LNXWGTFCUYGYAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050669
COc1ccc(F)cc1Cn1nc(CN)c2C(C)CCc12	EMOLS-id_331011839,MCULE-3646872472	289.348	GPYQBINCUKNDTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050670
COc1ccc(F)c(Cn2nc3CCC(C)c3c2CN)c1	EMOLS-id_330994360,MCULE-9320529786	289.348	OOYKGKBJNVFMQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050671
COc1ccc(F)c(Cn2nc(CN)c3C(C)CCc23)c1	EMOLS-id_331012605,MCULE-4706684530	289.348	OPBBXWDGYQSVOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050672
COc1cc(Cn2nc3CCC(C)c3c2CN)ccc1F	EMOLS-id_330994872,MCULE-2772100894	289.348	JRDYJHDAIUARIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050673
COc1cc(Cn2nc(CN)c3C(C)CCc23)ccc1F	MCULE-3015376698,EMOLS-id_331013117	289.348	DFBRFXAYYJULMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050674
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1N	MCULE-2475312497,EMOLS-id_331014059	289.348	FVLZBFIWOQQXGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050675
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1N	MCULE-6885006416,EMOLS-id_331011245	289.348	ARGNOUOYXUYUNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050676
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1CN	EMOLS-id_330994106,MCULE-9326838761	289.348	UYKPXJBZQPUYEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050677
COc1cc(F)ccc1Cn1nc(CN)c2C(C)CCc12	MCULE-7260162571,EMOLS-id_331012351	289.348	ZLQUJLNPMHIGSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050678
COc1cc(F)cc(Cn2nc3CCC(C)c3c2CN)c1	MCULE-9170742832,EMOLS-id_330995128	289.348	HHMCEGPLFOZOGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050679
COc1cc(F)cc(Cn2nc(CN)c3C(C)CCc23)c1	EMOLS-id_331013373,MCULE-9168701403	289.348	GFBLVBMWTHKPAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050680
COc1c(F)cccc1Cn1nc2CCC(C)c2c1CN	EMOLS-id_330994362,MCULE-7770454921	289.348	QFNRBOXRYCGQRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050681
COc1c(F)cccc1Cn1nc(CN)c2C(C)CCc12	MCULE-1940145978,EMOLS-id_331012607	289.348	JMMJPAKWOBEOLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050682
Fc1ccc(cc1)C(CNCc1cnc2n1CCC2)(O)C	MCULE-4176738764,PC-id_146107258,EMOLS-id_324025469	289.348	GHQKPNHHZOZATR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050683
Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@H](C)C3)cc1	ZINC22_26897216,PC-id_34179051	289.349	SKENKHUGPZPEQX-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050684
Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@@H](C)C3)cc1	ZINC22_26897218,PC-id_34179053	289.349	SKENKHUGPZPEQX-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-050685
CCc1ccsc1C(=O)c1ccc2n1CCC2C(=O)O	PC-id_20521931,SCHEMBL10957512	289.349	BDKALGQKMKAMQI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050686
n1(S(=O)(=O)c2ccc(C)cc2)ccc2CC(C)C(=O)c12	MCULE-4722037025,PC-id_12165066	289.349	SKENKHUGPZPEQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050687
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(s1)C)C	SCHEMBL11656904,PC-id_20356125	289.349	DENLCKOBXQSDTO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050688
OC(=O)C1CCn2c1cc(c2C(=O)c1sccc1C)C	PC-id_20356099,SCHEMBL11664355	289.349	FDCMNQCCNAKXKU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050689
OC(=O)C1CCn2c1cc(c2C(=O)c1scc(c1)C)C	SCHEMBL11661393,PC-id_20356135	289.349	NRQVLRRBXCSIPQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050690
s1c2c(CCC2)cc1C(O)Cc1ccc([N+](=O)[O-])cc1	PC-id_63018634	289.349	YHCLPZKMKOJANT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050691
s1c2c(CCC2)cc1C(O)Cc1c([N+](=O)[O-])cccc1	PC-id_63016177	289.349	KYXTVKJWRFWBGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050692
s1c2c(CCC2)c(c1N=Cc1oc(cc1)C)C(=O)OC	PC-id_24015033	289.349	UZTUYVIUTVXORO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-050693
s1c2c(CCC2)c(c1N=Cc1occc1)C(=O)OCC	PC-id_23797502	289.349	JDOQMFCIHJDBLW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-050694
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1C(=O)CC2C	PC-id_102125093	289.35	QBYPWXLCWLTKRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050695
CCc1cc2n(c1C(=O)c1cccs1)CCC2C(=O)O	SCHEMBL11662946,PC-id_20356058	289.35	SFGRKOYKUFASBF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050696
CCOC(=O)C1CCn2c1ccc2C(=O)c1cccs1	EMOLS-id_207810344,SCHEMBL11658020,MCULE-7167277855,PC-id_20356070	289.35	GHUSWGSUPMHNOX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050697
COc1ccccc1Cc1nc2c(s1)CCC2C(=O)O	PC-id_104287245	289.35	LXHXAISDXMPCBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050698
COc1ccc(cc1)Cc1nc2c(s1)CCC2C(=O)O	PC-id_104287288	289.35	VCGPVCPFEWMLLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050699
COc1cccc(c1)Cc1nc2c(s1)CCC2C(=O)O	PC-id_104287319	289.35	AYPKWOPQHXZHIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050700
COc1cc(OC)ccc1CN1Cc2c(C1=O)ccs2	PC-id_140122548	289.35	LHXHREJSJWYOPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050701
COC(c1nc2c(s1)CCC2C(=O)O)c1ccccc1	PC-id_116744634	289.35	YRBVKQLPPUXTEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050702
O=C(c1occ2c1CCC2)Nc1cccc(c1)S(=O)C	EMOLS-id_318681048	289.35	WBOMSXAIXJPDPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050703
O=C(c1occ2c1CCC2)Nc1ccc(cc1)S(=O)C	EMOLS-id_318737457	289.35	LSJHWZJLNLCDEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050704
O=C(c1sc2c(c1)CCC2)NCc1cccc(c1O)O	EMOLS-id_319160716	289.35	AWWUTIULCUKYQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050705
O=C(c1sc2c(c1)CCC2)NCc1c(O)cccc1O	EMOLS-id_319534830	289.35	JKKVAAWEGAHQAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050706
CCC(c1ccc(cn1)F)NC(c1nnc2n1CCC2)C	PC-id_115938620	289.351	JIMBVZAFGGFWJN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050707
CN(Cc1ccc(cc1F)NC1CC(n2c1ncn2)C)C	EMOLS-id_318546760,MCULE-7852509422	289.351	QKMFXXHGTJDBCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050708
c12CN(Cc1sc(N)n2)C(=O)CCOc1ccccc1	PC-id_82194146,MCULE-7700031695	289.353	GGJOHLAWNCECMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050709
c1(NC(=O)c2ccccc2OC)n(C)nc2CSCc12	MCULE-6052584485,EMOLS-id_334569394	289.353	ZGEUNDSCFBUCSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050710
CS(=O)(=O)c1ccc(N/N=C/CCn3cccc23)cc1	PC-id_56808406,ZINC22_71805612	289.353	YKGRGUSSSDOVBQ-SSZFMOIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050733
c1(NC(=O)c2ccc(cc2)OC)n(C)nc2CSCc12	STOCK7S-25050,EMOLS-id_36793549,MCULE-8333845637,PC-id_60178028,ZINC22_72401348	289.353	WFIDIRAUAXRHGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050711
c
(=NC(=O)c2c(C)cc(nc2O)C)/sc2c(CCC2)[nH]1	ZINC22_252493602,STOCK7S-55485,PC-id_91822127,EMOLS-id_55728302,MCULE-2603107898,EMOLS-id_54880596	289.353	NDQDGNUMPZSCDZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050712
c1(NC(=O)c2cccc(OC)c2)n(C)nc2CSCc12	EMOLS-id_334564532,MCULE-6016697035	289.353	MPZQAHDXVIXQAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050713
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CNC2)n1	PC-id_82194025,MCULE-4663433029	289.353	RDVVYQLLSGRIJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050714
c1(NC(=O)COc2ccccc2)n(C)nc2CSCc12	MCULE-2044165852,STOCK7S-64331,EMOLS-id_188940424,ZINC22_604418623	289.353	LWEZGZQTNRZXSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050715
c1(snc2CCCc12)NC(=O)Nc1ccc(cc1)OC	MCULE-1506151985,PC-id_54774490	289.353	SWOIRUOBQOOPJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050716
Cc1nc(CNC(=O)c2sc3c(c2)CCC3)[nH]c(=O)c1	EMOLS-id_278414637	289.353	SSMWUTYYSQTCSR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050717
CCc1nc(Nc2sc3c(n2)CCC3)cc(c1)C(=O)O	PC-id_104137683	289.353	RZYYNBTZUNSZGE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050718
CC(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)n(C)c1	MCULE-4939838225,ZINC22_52990934,PC-id_75524881,EMOLS-id_49327600	289.353	QZOUECIXDUIUHE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-050719
CCOC(=O)C1CCc2c1nc(s2)Nc1cccnc1	PC-id_104287477	289.353	MSHMLLMWMSXFRG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050720
CCOC(=O)c1ccc(nc1)Nc1sc2c(n1)CCC2	PC-id_108379117	289.353	XHNHLZHZBPOQGZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050721
COc1ccc(cc1)Nc1sc(c2c1CCN2C)N=O	PC-id_122233832	289.353	LNDJOVBPJNXMRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050722
COc1ccccc1Nc1sc(c2c1CCN2C)N=O	PC-id_122233833	289.353	UPAQTAUEXKEGDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050723
COc1cccc(c1)Nc1sc(c2c1CCN2C)N=O	PC-id_122233834	289.353	MODKFAIITAUDBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050724
COc1cc(ccc1N)C(=O)Nc1sc2c(n1)CCC2	PC-id_104782753	289.353	XDSHFYVPZGFLJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050725
COc1cncc(c1C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319565466	289.353	OFMFXJXGLJMAIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050726
COc1c(N)cccc1C(=O)Nc1sc2c(n1)CCC2	PC-id_104205069	289.353	WRRQBLMELYFJDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050727
COC(=O)c1cccc(c1Nc1sc2c(n1)CCC2)N	PC-id_115934479	289.353	YBXWTUJRZZFBJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050728
COC(=O)c1cccc(c1N)Nc1sc2c(n1)CCC2	PC-id_115545358	289.353	XFGXKWIPOWJYEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050729
C[S@@](=O)(=NC(=O)c1cnc2n1CCC2)c1ccccc1	ZINC22_925946217	289.353	GOJNFRQSKCLWEW-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050730
C[S@](=O)(=NC(=O)c1cnc2n1CCC2)c1ccccc1	ZINC22_925946218	289.353	GOJNFRQSKCLWEW-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050731
CS(=O)(=O)c1ccc(cc1)NN=C1CCn2c1ccc2	PC-id_72052585,EMOLS-id_36998334,MCULE-1876244293	289.353	YKGRGUSSSDOVBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050732
n1c2CCCc2sc1CCNC(=O)c1cccc(=O)[nH]1	ZINC22_223580169,PC-id_91794565,MCULE-7729627394,EMOLS-id_55702292	289.353	SVQHRUGVNGSJHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050734
n1c2CCCc2sc1CCNC(=O)c1cccnc1O	MCULE-9270176536,ZINC22_219802509,PC-id_91773435,EMOLS-id_55640746	289.353	RAKXTFAJAHHBKQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050735
N1(Cc2c(nc(N)s2)C1)C(=O)c1cccc(OCC)c1	PC-id_82194229,MCULE-7389130591	289.353	IRTFBJDUSZMJMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050736
Nc1n(nc2c1CSC2)C(C(=O)O)Cc1ccccc1	PC-id_102354198	289.353	KVUGZBVTTGIKCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050737
N#Cc1c(NC(=O)C2CCC(=O)NC2)sc2c1CCC2	PC-id_112729090	289.353	GUHZCTIKZRMWBH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050738
O=C(c1cc[nH]c(=O)c1)Nc1sc2c(n1)C(CC2)(C)C	MCULE-4462212979,EMOLS-id_102162427	289.353	XRUYPOBRXJPBIY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050739
O=C(c1cnc2n1CCC2)N=S(=O)(c1ccccc1)C	EMOLS-id_316332476,MCULE-7752587009	289.353	GOJNFRQSKCLWEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050740
O=C(c1sc2c(c1)CCC2)N1CCC(C1)c1ncon1	EMOLS-id_319100409	289.353	HINOGZGOABKVHK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050741
O=C(c1sc2c(c1)CCC2)NNC(=O)c1cccn1C	PC-id_17392141,EMOLS-id_11903866,CoCoCo_3870369,MCULE-7160062451	289.353	TYQFSEDIKJYADL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-050742
O=C(Nc1nc(CC2CC2)ns1)c1occ2c1CCC2	ZINC22_888100709,EMOLS-id_316953093,MCULE-9887340843	289.353	KBXGJFDVAITLHA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050743
OC(=O)C1CCc2c1nc(s2)Nc1ccc(nc1C)C	PC-id_104289051	289.353	BWPQVFUXUDIMHH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050744
OC(=O)C1CCc2c1nc(s2)NC(c1ccccn1)C	PC-id_104287904	289.353	ZJVWYHCHKOUWIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050745
OC(=O)C1CCc2c1nc(s2)N(Cc1ccccn1)C	PC-id_104287963	289.353	SOIYIXDQPPZCAL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050746
OC(=O)C1CCc2c1nc(s2)NCc1cccc(n1)C	PC-id_104288536	289.353	CGSDSQLMZIYRBX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050747
OC(=O)C1CCc2c1nc(s2)NC(c1cccnc1)C	PC-id_104287884	289.353	AQLSMYBECILRKI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050748
OC(=O)C1CCc2c1nc(s2)N(Cc1cccnc1)C	PC-id_104287973	289.353	IFOFCDPZUFLHKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050749
OC(=O)C1CCc2c1nc(s2)NCc1ccc(nc1)C	PC-id_104288672	289.353	IYQRISULVIPEGC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050750
OC(=O)C1CCc2c1nc(s2)NC(c1ccncc1)C	PC-id_104287886	289.353	TUKMTQNURVNCHY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050751
OC(=O)C1CCc2c1nc(s2)N(Cc1ccncc1)C	PC-id_104287989	289.353	FFICCQQQWRGIDO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050752
OC(=O)C1CCc2c1nc(s2)NCc1ccncc1C	PC-id_114702185	289.353	VOKAYQPEPOZXIQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050753
OC(=O)C1CCc2c1nc(s2)NCc1cnccc1C	PC-id_114957848	289.353	NEBXLGBJWVAMRL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050754
OC(=O)C1CCc2c1nc(s2)NCc1ncccc1C	PC-id_104288756	289.353	CMHXNRNWWNSKRO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050755
OC(=O)C1CCc2c1nc(s2)NCCc1ccccn1	PC-id_104287418	289.353	GPBVEYPRKQGTSU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050756
OC(=O)C1CCc2c1nc(s2)NCCc1cccnc1	PC-id_104288037	289.353	UVZWUFQKUSIIPH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050757
OC(=O)C1CCc2c1nc(s2)NCCc1ccncc1	PC-id_104288045	289.353	QWKDKKLYWHHVAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050758
OC(=O)c1cncnc1CNCc1sc2c(c1)CCC2	PC-id_103242926	289.353	CFDHXZWAMGIAEO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050759
[O-][N+](=O)c1ccc(cc1N)NCc1sc2c(c1)CCC2	PC-id_106749098	289.353	ANALSFSEBNZGDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050760
O=S(=O)(c1cccc(c1)C1CC1)N1Cc2c(C1)cn[nH]2	EMOLS-id_319498537	289.353	JHUWGNREDHYWIH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050761
O=S(=O)(Cc1ccccc1)NN=C1CCn2c1ccc2	MCULE-9871790091,PC-id_71885484,EMOLS-id_44550924	289.353	JXAZTAHHQXBVGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050762
O=S(=O)(Cc1ccccc1)N/N=C/1CCn2cccc12	PC-id_95041857,ZINC22_98055322	289.353	JXAZTAHHQXBVGR-FYWRMAATSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050763
O=S(=O)(N1CCn2c1ncc2)c1cccc(c1)C1CC1	EMOLS-id_318983771	289.353	RYKQOVFULXRDHJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-050764
s1c2CCCc2cc1CNc1nccc(c1[N+](=O)[O-])C	PC-id_64238198	289.353	MVDIUTCOKXLAIM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050765
s1c2CCCc2cc1CNc1ncc(cc1[N+](=O)[O-])C	PC-id_66279602	289.353	QBNFMTBQJQMYMC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050766
s1c2CCCc2cc1CNc1nc(ccc1[N+](=O)[O-])C	PC-id_81141696	289.353	RHFCZOORKTYDPT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050767
s1c2CCCc2cc1CNc1ncc(c([N+](=O)[O-])c1)C	PC-id_83269929	289.353	XDMABRZWDFYZGH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050768
s1c2CCCc2cc1CNc1nc(cnc1)C(=O)OC	PC-id_66458479	289.353	NBSFEOQATCXUIW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050769
s1c2CCCc2cc1CNc1ncc([N+](=O)[O-])cc1C	PC-id_62475859	289.353	NSIJCKQUPLNRNL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050770
s1c2CCCc2cc1CNc1ncc([N+](=O)[O-])c(c1)C	PC-id_79165239	289.353	BDMUJACQALNXGH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050771
s1c2CCCc2cc1CNc1nc(c([N+](=O)[O-])cc1)C	PC-id_80710910	289.353	DOKIPXRHDMWRLM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050772
s1c2CCCc2cc1CNc1nc(ncc1)C(=O)OC	PC-id_66287445	289.353	XPYAMSFCGVKGPY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050773
s1c2CCCc2cc1CNc1nnc(cc1)C(=O)OC	PC-id_61208203	289.353	LPXCNSFGNOKPPK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050774
s1c2c(CCC2)c(c1N(CC(C)C(=O)O)CC#N)C#N	PC-id_82309981	289.353	XCKWMJCFODMYGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050775
s1c2CCCc2nc1Nc1c(cc(N)cc1)C(=O)OC	PC-id_61509970	289.353	ZSGDJVIJBOXUQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050776
s1c2CCCc2nc1Nc1cc(c(N)cc1)C(=O)OC	PC-id_61510053	289.353	SILMXEWZMMMJTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050777
s1c2CCCc2nc1Nc1c(N)cc(cc1)C(=O)OC	PC-id_61510011	289.353	WUEGZXJLKMPGPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050778
s1c2CCCc2nc1Nc1c(N)ccc(c1)C(=O)OC	PC-id_82785762	289.353	XOJBPWDYGFFLEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050779
s1c2CCCc2nc1Nc1nc(cc(c1C(=O)O)C)C	PC-id_61511973	289.353	BNEIBZOHZWYFOH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050780
s1c2CCCc2nc1NC(=O)c1cc(N)cc(OC)c1	PC-id_78985311	289.353	KUJWKYSPIPFPMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050781
s1c2CCCc2nc1NC(=O)c1cc(N)c(OC)cc1	PC-id_61507449	289.353	YPADQALSWHFIHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050782
s1c2CCCc2nc1NC(=O)c1c(N)cccc1OC	PC-id_81420928	289.353	NXSCMKYHYZJJKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050783
s1c2CCCc2nc1NC(=O)c1c(N)ccc(OC)c1	PC-id_61507736	289.353	HLQKKRSOVKHNHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050784
s1c2CCCc2nc1NC(=O)c1c(N)c(OC)ccc1	PC-id_65635003	289.353	QXKPOXLDIYEUNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050785
s1c2CCCc2nc1NC(=O)c1c(OC)ccc(N)c1	PC-id_61507822	289.353	RIIFTFVEIJZEPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050786
s1c2CCCc2nc1NC(=O)c1c(OC)cc(N)cc1	PC-id_81679142	289.353	FRRUZYZPODBZCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050787
s1c2CCCc2nc1NC(=O)COc1ccc(N)cc1	PC-id_61507864	289.353	UWRKNWZKCYKHOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050788
s1c2CCCc2nc1NC(=O)COc1cc(N)ccc1	PC-id_61507328	289.353	GRDZIEYCDUASGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050789
s1c2CCCc2nc1NC(=O)COc1c(N)cccc1	PC-id_61507370	289.353	WSULGZQOMRLHRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050790
s1c2CN(Cc2nc1N)Cc1cc(ccc1)C(=O)OC	PC-id_82194272	289.353	FUQKDXKEVRKBJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050791
s1c2CNCc2nc1NC(=O)c1ccc(OCC)cc1	PC-id_82194132	289.353	DIAWENQJDMLCDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050792
s1c2CN(Cc2nc1N)C(=O)c1ccc(OCC)cc1	PC-id_82194243	289.353	NCWSDXJPHCSGRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050793
s1c2CNCc2nc1NC(=O)c1cc(OCC)ccc1	PC-id_82194118	289.353	BQMCDCUDGACOMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050794
s1c2CNCc2nc1NC(=O)c1c(OCC)cccc1	PC-id_82194131	289.353	YRCUUPVDDONTEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050795
s1c2CN(Cc2nc1N)C(=O)c1c(OCC)cccc1	PC-id_82194242	289.353	WLQBEZSCQTYCSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050796
s1c2CN(Cc2nc1N)C(=O)Cc1ccc(OC)cc1	PC-id_82194138	289.353	COJMTFYDOFWLNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050797
s1c2CNCc2nc1NC(=O)CCOc1ccccc1	PC-id_82194033	289.353	ALJZETZEBIKKRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050798
s1c2CNCc2nc1NC(=O)COc1ccc(cc1)C	PC-id_82194065	289.353	VLPODSSKDZAWBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050799
s1c2CNCc2nc1NC(=O)COc1cc(ccc1)C	PC-id_82194115	289.353	YGYLXNVNCVVAPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050800
s1c2CNCc2nc1NC(=O)COc1c(cccc1)C	PC-id_82194116	289.353	VSQNXXMLOBQLDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050801
s1c2CN(Cc2nc1N)C(=O)COc1ccc(cc1)C	PC-id_82194176	289.353	SDLPTXOXPIXNSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050802
s1c2CN(Cc2nc1N)C(=O)COc1cc(ccc1)C	PC-id_82194226	289.353	GELRECQUJWRZBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050803
s1c2CN(Cc2nc1N)C(=O)COc1c(cccc1)C	PC-id_82194227	289.353	INLKVECBHCDUCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050804
S1Cc2c(noc2NC(=O)c2ccc(N(C)C)cc2)C1	PC-id_49720038	289.353	YPEKGYWILRSHCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050805
S1Cc2c(noc2NC(=O)c2cc(N(C)C)ccc2)C1	PC-id_45505344	289.353	QZJZCHDFCNAYDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050806
S1Cc2c(noc2NC(=O)Nc2cc(c(cc2)C)C)C1	PC-id_49719380	289.353	JNZJOKFIZFRMDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050807
S1Cc2c(noc2NC(=O)Nc2cc(cc(c2)C)C)C1	PC-id_49719383	289.353	OOAIFSAXOGBONQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050808
S1Cc2c(noc2NC(=O)NCCc2ccccc2)C1	PC-id_49719379	289.353	TUJSEYQIZRNXQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050809
S(=O)(=O)(N/N=C
/CCn2c1ccc2)Cc1ccccc1	PC-id_48054062	289.353	JXAZTAHHQXBVGR-SQFISAMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050810
c1(C(=O)Nc2nnc(C3CCC3)s2)c2CCCc2[nH]n1	EMOLS-id_323257265,MCULE-5059389588	289.356	IKASESMYADMHQQ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050811
c1(NC(=O)c2cnc(nc2)CC)n(C)nc2CSCc12	PC-id_134697810,MCULE-5731496583,EMOLS-id_316186027,ZINC22_1529103653	289.356	GIBQCBGTSQIDRE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050812
CCNc1cncc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_108078767	289.356	JNONXZZCRNSJBB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050813
CCNc1ncc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_107375200	289.356	SGMJBIHFRNRGMN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050814
n1c2CCCc2sc1CCNC(=O)Nc1cnccn1	EMOLS-id_181503410,MCULE-4970535653,PC-id_110492421	289.356	DPJWYEYUPWZVMX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050815
NNc1nc(C)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104128607	289.356	YMVVHISXLXORQX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050816
O=c1n2n(CCC2)c(N)c1/N=C
/C(=CC([NH+](C)C)C=C1)N	PC-id_57831919	289.356	ACWDYFWXPMQKED-GZTJUZNOSA-O	00000010100011000001000010000000000000000000000000000000	25-01-050817
O=C(c1cnc(s1)NC1CC1)NC1CCn2c1ncc2	EMOLS-id_258088672,MCULE-1775505757	289.356	UVZJVXXRYBMDQN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050818
O=C(C1NCc2c1c[nH]n2)NCc1scc(n1)C1CC1	MCULE-3768795246,EMOLS-id_320197277	289.356	ZVPAOSAJPXEBED-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050819
O=C(c1sc2c(c1)CCC2)N1CCC(C1)c1nn[nH]n1	EMOLS-id_317952885	289.356	GMZCPQHVMLKIFP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050820
O=C(c1snnc1C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319015853	289.356	NQKNHHWEKZBUMA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050821
O=C(c1snnc1C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319857351,MCULE-1086972577	289.356	JYMHPZLDYDTKGA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050822
O=C(CCNc1ncccn1)Nc1nc2CCCc2s1	ZINC22_45882315,PC-id_47205593,EMOLS-id_33306595,STOCK7S-38169,MCULE-9601951869,EMOLS-id_49394120	289.356	ZJYHHGBPJZVKRW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050823
O=C([C@@H]1C[C@H](C1)n1cnnc1)Nc1sc2c(n1)CCC2	MCULE-8614605645,EMOLS-id_320110000	289.356	NMNMMLANOAXUSI-KYZUINATSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050824
O=C(N1Cc2c(C1)cnn2C)c1csc(n1)NC1CC1	MCULE-4237888973,EMOLS-id_318353262	289.356	OCOQWZXBHBEGMF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050825
O=C(N1CCn2c1ccn2)c1c(snc1C)NC1CC1	EMOLS-id_318175264,MCULE-8026093596	289.356	VXBWPVPQUOPCKG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050826
O=C(N1CCn2c1ccn2)c1sc(nc1C)NC1CC1	EMOLS-id_318541311,MCULE-3497825453	289.356	RZPNERXPNVOVNQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050827
O=C(N1CCn2c1ncc2)c1sc(nc1C)NC1CC1	MCULE-5590423262,EMOLS-id_318474757	289.356	WHTPIAAESHGHCX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-050828
O=C(N1CCn2c1ncc2)CSc1nc(C)cc(n1)C	EMOLS-id_279043973	289.356	FQTQKVZUSKUAPQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050829
s1c2CCCc2nc1NC(=O)c1c(NN)cc(nc1)C	PC-id_81255749	289.356	ZYZKNDVCHVEMJS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050830
s1c2CCCc2nc1NC(=O)c1nnc(NCC)cc1	PC-id_62176323	289.356	CSGZJFRCFMBNAC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050831
s1c2CCCc2nc1NC(=O)c1n[nH]c(C2CC2)c1N	PC-id_62079916	289.356	SVOZKLDOPZHJAZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050832
Fc1ccc(c(c1)C)C(=O)NCc1sc2c(c1)CCC2	PC-id_115745543	289.368	LWNHDGSXHVGVEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050833
Fc1ccc(cc1)CN(C(=O)c1sc2c(c1)CCC2)C	PC-id_112792541	289.368	JTTZJVSYLIABHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050834
O=C(c1sc2c(c1)CCC2)N(Cc1ccccc1F)C	PC-id_112789792	289.368	KYJWLANNLIBTBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050835
s1c2CCCc2cc1CNC(=O)c1cc(ccc1F)C	PC-id_62511856	289.368	IATGANULTJSRCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050836
s1c2CCCc2cc1CNC(=O)c1cc(c(F)cc1)C	PC-id_63213025	289.368	UXYOUGMHBTYKPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050837
s1c2CCCc2cc1CNC(=O)c1c(F)cc(cc1)C	PC-id_79777323	289.368	FPYLDCSJOKTVQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050838
s1c2CCCc2cc1CNC(=O)c1c(F)c(ccc1)C	PC-id_80718912	289.368	AUXGQKPPMDPJGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050839
s1c2CCCc2cc1C(=O)NC(c1ccc(F)cc1)C	PC-id_47096981	289.368	ZHLWJUVSMMZYKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050840
s1c2CCCc2cc1C(=O)NCCc1ccc(F)cc1	PC-id_9210437	289.368	YUBJRPUKQGSXGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050841
s1c2CCCc2cc1C(=O)NCCc1cc(F)ccc1	PC-id_8247833	289.368	BTABYFPHXMEAOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050842
s1c2CCCc2cc1C(=O)NCCc1c(F)cccc1	PC-id_9474293	289.368	GVDAUJBJHLBBEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050843
s1c2CCCc2cc1C(=O)N[C@H](c1ccc(F)cc1)C	PC-id_9426566	289.368	ZHLWJUVSMMZYKM-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-050844
s1c2CCCc2cc1C(=O)N[C@@H](c1ccc(F)cc1)C	PC-id_9426567	289.368	ZHLWJUVSMMZYKM-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050845
O[C@H]1[C@H]2CCCN([C@H]2C1(C)C)C(=O)c1occ2c1CCC2	EMOLS-id_316606055	289.369	TWIYBOZJVXEZEC-CFVMTHIKSA-N	00001010100010000000001010000000000000000000000000000000	25-01-050846
FCC(CS(=O)(=O)Nc1n(C)nc2c1CCC2)(C)C	EMOLS-id_319407821	289.37	PEQOZGRYWQVVAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050847
c1(sc2c(CCC2)c1C(=O)OCC)NS(=O)(=O)C	ZINC22_4914313,EMOLS-id_49389443,PC-id_6492771,MCULE-8820653334	289.371	IVWHECYAUCZEMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050848
CCCS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	EMOLS-id_315062876,PC-id_43328050	289.371	CTIAIVIVVOTXIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050849
CCOC(=O)C1CCc2c1nc(s2)CS(=O)(=O)C	PC-id_113395608	289.371	ZHPSMTXVLXZAGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050850
COCCCNC(=O)c1sc2c(c1)CS(=O)(=O)C2	PC-id_3240089,ChEMBL-DNDi_CHEMBLC771-0125	289.371	KONNAHRUODKWSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050851
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)C(C)C	PC-id_60859929,EMOLS-id_314093176	289.371	DKTREMLRDGHYHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050852
OC(=O)CCS(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_61206865,EMOLS-id_315246118	289.371	LTRARMZFEGQLQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050853
OC(=O)C(S(=O)(=O)NCc1sc2c(c1)CCC2)C	PC-id_54947234,EMOLS-id_314151682	289.371	ZNSOLLQDWVNTDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050854
s1c2c(CCC2)c(c1NS(=O)(=O)CC)C(=O)OC	PC-id_64586290	289.371	OZRLWUVOXQTVJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050855
S(=O)(=O)(N1Cc2c(sc(c2)C(=O)CO)C1)CCC	PC-id_58157547	289.371	OCTGHNOGUPJOGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050856
c12CN(Cc1nn(C(C)(C)C)c2C#C)C(=O)OC(C)(C)C	MCULE-9181840912,EMOLS-id_324358242	289.373	LEOUYXCADTXUGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050857
Cn1ncc2c1CN(C2)C(=O)C1(CCC1)C1CCCCO1	EMOLS-id_313164620,MCULE-7794973326	289.373	KNMRVRZFJRPZHF-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-050858
Cn1ncc2c1CN(C(=O)C1([C@@H]3CCCCO3)CCC1)C2	ZINC22_868690732	289.373	KNMRVRZFJRPZHF-AWEZNQCLSA-N	00001010100010000001100010000000000000000000000000000000	25-01-050859
Cn1ncc2c1CN(C(=O)C1([C@H]3CCCCO3)CCC1)C2	ZINC22_868690733	289.373	KNMRVRZFJRPZHF-CQSZACIVSA-N	00001010100010000001100010000000000000000000000000000000	25-01-050860
COC1C2CCCC2C1NC(=O)c1n(C)nc2c1CCC2	MCULE-9785869670,EMOLS-id_320265627	289.373	MYNFOKPQOOFSDB-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-050861
O=C(c1cc2n(n1)CCC2)N1CCOCC(C1)C1CCC1	EMOLS-id_102833217	289.373	GYSPUOLQLXJTEG-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-050862
O=C(c1cnn2c1CCC2)N1CCOCC(C1)C1CCC1	EMOLS-id_102833208	289.373	SUZJFQGBWDLXDE-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-050863
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)C1CCOCC1	EMOLS-id_102439778	289.373	FCMRVWPNMDNFJW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050864
O=C(c1n[nH]c2c1CCC2)N1CCCC1C1CCOCC1	EMOLS-id_98931517	289.373	SOFHROUFDOEHLG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050865
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)C1CCCO1	EMOLS-id_102745394	289.373	RDDPKHLEXAMEPB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050866
O=C(c1n[nH]c2c1CCC2)N1CCOCC(C1)C1CCC1	EMOLS-id_102466531	289.373	NPEQKSJMLNOMKU-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-050867
O[C@H]1[C@H]2CCCN([C@H]2C1(C)C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319505187	289.373	DZKZCLRJVYKXPD-GDLCADMTSA-N	00001010100010000001001010000000000000000000000000000000	25-01-050868
O[C@H]1[C@H]2CCCN([C@H]2C1(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_316606562	289.373	STMICRFSUWYGQL-GDLCADMTSA-N	00001010100010000001001010000000000000000000000000000000	25-01-050869
O[C@H]1[C@H]2CCCN([C@H]2C1(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316624988	289.373	TYBWCDSPSIHWSM-GDLCADMTSA-N	00001010100010000001001010000000000000000000000000000000	25-01-050870
O=C(N1CC(C1C1CCCO1)(C)C)c1cnn2c1CCC2	EMOLS-id_102827397	289.373	DRXOOQDFTCZCEO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050871
O=C(N1CC(C1C1CCCO1)(C)C)c1nn2c(c1)CCC2	EMOLS-id_102800387	289.373	SVGJUDHUPFGURP-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050872
O=C(N1CC(C1C1CCCO1)(C)C)c1n[nH]c2c1CCC2	EMOLS-id_102524841	289.373	RJODIWKPYSIAQA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050873
O=C(N1CCCC1C1CCCCC1)c1nn2c(c1)OCC2	EMOLS-id_102272381	289.373	DPSUXNHWKWCOOH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050874
c1(NC(=O)CCS(=O)(=O)C)n(C)nc2CSCc12	PC-id_134714304,MCULE-9209775310,ZINC22_1529196738,EMOLS-id_316229403	289.374	GILZRLIXTCBGFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050875
CC(C)(C)OC(=O)Nn1c(c2n(c1=S)CCS2)O	PC-id_90990661	289.374	GHQZEZOGABONQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050876
CC(C(=O)Nc1sc2c(n1)CCC2)NS(=O)(=O)C	MCULE-3803299153,EMOLS-id_48745046,PC-id_47262497	289.374	BLHAXMUYGDTNOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050877
C[C@@H](NS(=O)(=O)C)C(=O)Nc1nc2c(s1)CCC2	PC-id_94155245,ZINC22_47828265	289.374	BLHAXMUYGDTNOH-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050878
C[C@H](NS(=O)(=O)C)C(=O)Nc1nc2c(s1)CCC2	ZINC22_47828262,PC-id_94155244	289.374	BLHAXMUYGDTNOH-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-050879
c1(CN2CCCC(C2)NC(=O)C2CC2)nnc2CCCn12	EMOLS-id_336483965,MCULE-8765594717	289.376	YRXAFHJFSLRAOY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-050880
c1(CN(C)Cc2nccn2CCOC)c2CCCc2[nH]n1	PC-id_77094622,ZINC22_216241461,EMOLS-id_49894325,MCULE-4317911719	289.376	DAELCKRLTWEKCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050881
Cc1ncc(s1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322615394,MCULE-5135370450	289.376	NGFNZDZTUZSWGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050882
CC(c1onc(n1)C(C)(C)C)NCc1cnc2n1CCC2	MCULE-2810631278,EMOLS-id_318032693	289.376	BGAVEEIJWBFPNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050883
CC(c1onc(n1)C(C)(C)C)NCc1nn2c(c1)CCC2	EMOLS-id_318342380,MCULE-5876556297	289.376	GWKGWJVKGUAEHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050884
CSc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1	EMOLS-id_324840174	289.376	SQYPXHVMEBHWBO-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050885
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)C	MCULE-7049297341	289.376	SQYPXHVMEBHWBO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-050886
n1cscc1CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328132732,MCULE-9407699088	289.376	LLOLAQJWTIBLAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050887
O=C(C1CCN1C1CCCC1)NC1CC(n2c1ncn2)C	EMOLS-id_316674567	289.376	XZBCAZWVHNNXLO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050888
O=C(C1NCc2c1c[nH]n2)N1CCCC1CN1CCCC1	EMOLS-id_319169085	289.376	MIEMHTUAHCWRMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050889
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)C1CCCN1	EMOLS-id_319477383	289.376	UHTRYEAYSUGETB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050890
S1Cc2c(noc2NC(=O)c2ccc(OCC)cc2)C1	PC-id_49719036	290.338	JFGWMDBFKCZWLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051442
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)C1CNCC1	EMOLS-id_318984616	289.376	KDKNCZCPEVWILU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050891
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)N1CCNCC1	PC-id_120996319,EMOLS-id_303037540,MCULE-2433116554	289.376	BIJRLNKINUARQT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-050892
O=C(N1CCC(C1)C1CC1)NC(c1nnc2n1CCC2)C	EMOLS-id_98274552	289.376	NACVRPHRSVTEHU-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-050893
O=C(N1CCCC1C1CCC1)NCc1nnc2n1CCC2	EMOLS-id_98259801	289.376	QAIZJBUHQOETHO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-050894
O=C(N1CCC(C1)N1CCCC1)NC1CCn2c1ncc2	EMOLS-id_318836755	289.376	ODQRPKDQOGSRIO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050895
O=C(NCCC1=CCCCC1)NCc1nnc2n1CCC2	PC-id_51075235,ZINC22_48309822,MCULE-5391203821,EMOLS-id_31871641	289.376	IEDUYVNCMWMPPT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-050896
O=C(N[C@@H]1CCCN(Cc2nnc3n2CCC3)C1)C1CC1	ZINC22_2086882024	289.376	YRXAFHJFSLRAOY-GFCCVEGCSA-N	00100010100010000001000010000000000000000000000000000000	25-01-050897
O=C(N[C@H]1CCCN(Cc2nnc3n2CCC3)C1)C1CC1	ZINC22_2086882025	289.376	YRXAFHJFSLRAOY-LBPRGKRZSA-N	00100010100010000001000010000000000000000000000000000000	25-01-050898
s1c2CCCc2c(c1NC(=O)c1sccc1N)C#N	PC-id_61117263	289.376	CJKRSDZFXICPMS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-050899
CC(c1nnc2n1CCC2)NCc1nnn(c1)C(C)(C)C	PC-id_103398871	289.379	OJQVWZFGSRSHKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050900
n12CCCc1nnc2C(NCc1n(c(N(C)C)nc1)C)C	PC-id_64010385	289.379	YGIDXIZWLWUBDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050901
CC(c1c(O)cccc1O)NCc1sc2c(c1)CCC2	PC-id_107710835	289.393	YHUQCPVMMOLGHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050902
CCCOc1cncc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115829127	289.393	LODRMAPLALWKAC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050903
CC(Oc1cncc(c1)C(c1sc2c(c1)CCC2)O)C	PC-id_115829368	289.393	CWSWTPHZSFFQKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050904
COc1cccc(c1C(c1sc2c(c1)CCC2)N)OC	PC-id_105051974	289.393	MFKFCLQSPDADPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050905
COc1cc(OC)cc(c1)C(c1sc2c(c1)CCC2)N	PC-id_105013542	289.393	XNXSMRPJMUPPRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050906
Oc1cc(O)cc(c1)C(NCc1sc2c(c1)CCC2)C	PC-id_107706280	289.393	XDKIDAGFCBWJJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050907
s1c2c(CCC2)cc1C(N)c1cc(OC)c(OC)cc1	PC-id_43463963	289.393	ZASBWVQSAKSMLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050908
s1c2c(CCC2)cc1C(N)c1c(OC)ccc(OC)c1	PC-id_43464046	289.393	IFJSKSSGUZOTOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050909
s1c2c(CCC2)cc1C(N)c1c(OC)cc(OC)cc1	PC-id_43464054	289.393	SIZYGLPJGOLDCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050910
s1c2CCCc2cc1CNCc1cc(OC)c(O)cc1	PC-id_61208145	289.393	LOPJKQQGPOWYII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050911
s1c2CCCc2cc1CNCc1cc(O)c(OC)cc1	PC-id_61207575	289.393	IFWPWYGNIBTTBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050912
s1c2c(CCC2)cc1CNC(c1c(O)ccc(O)c1)C	PC-id_61209504	289.393	WYRDVAWKAKIBHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050913
s1c2c(CCC2)cc1CNCc1c(O)ccc(OC)c1	PC-id_61208553	289.393	VNDOLBCGIYQJDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050914
s1c2c(CCC2)cc1CNC(c1c(O)cc(O)cc1)C	PC-id_61208742	289.393	ZAVCZLDBDFTONJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050915
s1c2CCCc2cc1CNCc1c(O)cc(OC)cc1	PC-id_61263819	289.393	SXDCAQVIGRFISF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050916
s1c2c(CCC2)cc1CNCc1c(O)c(OC)ccc1	PC-id_61208152	289.393	FUJVDWLFMKKHTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-050917
s1c2CCCc2cc1C(=O)NC(CCc1occc1)C	PC-id_51220366	289.393	BSZGRXUROVHFBD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-050918
s1c2C(OC(c2nc1C(O)c1ccccc1)(C)C)(C)C	PC-id_79928658	289.393	IHMURPYMZRGEQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050919
c12CN(Cc1sc(N)n2)CCOc1ccc(cc1)CC	MCULE-3540124733,PC-id_82194291	289.396	JDECJQCMHKMDPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050920
c1(CN(C)Cc2csc(C(=O)C)c2)c2CCCc2[nH]n1	MCULE-2312742699,EMOLS-id_49658800,PC-id_74239850,ZINC22_97574886	289.396	ZKOIWRBBNXFFEI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050921
c1(C(=O)NCCc2sc3c(CCC3)n2)ccn(C)c1C	ZINC22_426705642,PC-id_121512466,EMOLS-id_177501230,MCULE-8542050431	289.396	HVNJNSMNJZPBLR-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-050922
c1csc(CN2Cc3nc(CN4CCCC4)oc3C2)c1	CHEMBL3553093,EMOLS-id_46183521,PC-id_97406066,ZINC22_96086750	289.396	QKKYTNLQSUTUCA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050923
c1csc(CN2Cc3[nH]nc(COCC4CC4)c3C2)c1	PC-id_97520294,ZINC22_96260216,EMOLS-id_44371978	289.396	APVAYRHIDNLICP-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-050924
c1(NC(=O)CN2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_1416130,ChEMBL-DNDi_CHEMBL1495411,ChEMBL-DNDi_CHEMBL7664126,BAS-03081327,CHEMBL1495411,BindingDB_PC-id_705148,MCULE-5564595997,ZINC22_90017,BindingDB-id_92231,CoCoCo_277075,PC-id_705148	289.396	KPLSQHSAPPJSKW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050925
Cc1ccc(c(=O)n1C)CNCc1sc2c(n1)CCC2	MCULE-7469756853,EMOLS-id_318222032	289.396	ANPNIPXNXDPBKB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050926
Cc1c([C@@H](C)NC(=O)c2cc3c(s2)CCC3)cnn1C	ZINC22_25000749	289.396	JIKKPAMQWRLYRU-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050927
Cc1c([C@H](C)NC(=O)c2cc3c(s2)CCC3)cnn1C	ZINC22_25000753	289.396	JIKKPAMQWRLYRU-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-050928
CCc1cc(sc1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319168360	289.396	QDGHDUAEEIHYDB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050929
CCc1cc(sc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319878699	289.396	CGNUWUYULUWPLZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050930
CCc1nccn1CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319297233	289.396	FKZLEJOJTRSHON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050931
CC(C)c1nc(cc(=O)[nH]1)NCc1cc2c(s1)CCC2	PC-id_136974585	289.396	LBJYEQDXDSJNAF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050932
CC(C)(C)c1ccc(=O)n(Cc2nc3CCCc3s2)n1	MCULE-3583605229,ZINC22_585384865,EMOLS-id_231822478	289.396	ZONKROUNOWSMIH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050933
C#CCN1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1	MCULE-7128184044,ZINC22_48963136,PC-id_47360405	289.396	PNHOEZHZAWDLHR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-050934
CC(Cn1ncnc1CC(=O)c1sc2c(c1)CCC2)C	PC-id_114981937	289.396	VZGCZRAFDYLBOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050935
CCCOc1ccnc(n1)NCc1sc2c(c1)CCC2	PC-id_115974654	289.396	PTMQUUGUURAWPE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050936
CCn1cc([C@H](C)NC(=O)c2cc3c(s2)CCC3)cn1	ZINC22_297191435	289.396	OPDAWWHUFPAFKS-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-050937
CCn1cc([C@@H](C)NC(=O)c2cc3c(s2)CCC3)cn1	ZINC22_297191438	289.396	OPDAWWHUFPAFKS-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050938
CCn1ncc(c1)C(NC(=O)c1sc2c(c1)CCC2)C	MCULE-7262786348,EMOLS-id_316884606	289.396	OPDAWWHUFPAFKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050939
CCNC(c1nccnc1OC)c1sc2c(c1)CCC2	PC-id_105032230	289.396	XNWAMADWLAFAEX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050940
CCNC(c1sc2c(n1)CCC2)c1ccc(nc1)OC	PC-id_114937730	289.396	XDMJANFRSVXXEK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050941
CC(Oc1ccnc(n1)NCc1sc2c(c1)CCC2)C	PC-id_115974655	289.396	XVDQSMQRUPISKZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050942
CCOc1cncc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105329929	289.396	XCAAVKCPUAXOEY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-050943
CCOc1nc(NCc2sc3c(c2)CCC3)nc(c1)C	PC-id_115974657	289.396	KJIKVPJWSCXOEI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050944
COc1ncnc(c1)CC(c1sc2c(c1)CCC2)NC	PC-id_104303748	289.396	KSHCMXSAOYZIDQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050945
C(=O)(Nc1sc2CCCc2c1C#N)CCC1CCCN1	EMOLS-id_328242293,MCULE-9405884249	289.396	UPCLIVCQRFMJPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050946
N#Cc1c(NC(=O)C2CCNC(C2)C)sc2c1CCC2	PC-id_106739758	289.396	IXSVKTQUBUPOEZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050947
N#Cc1c(NC(=O)C2NCCCC2C)sc2c1CCC2	PC-id_107068026	289.396	RQANIJKLURGFKP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050948
N#Cc1c(NC(=O)C2NCCC(C2)C)sc2c1CCC2	PC-id_114423752	289.396	VCBJMFYYVQCNRJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050949
N#Cc1c(NC(=O)CCN2CCCC2)sc2c1CCC2	CoCoCo_4466489,ZINC22_40480332,EMOLS-id_31866604,PC-id_45802217,MCULE-7778558686	289.396	HFPQVTVBLZDPGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050950
N#Cc1c(sc2c1CCC2)NC(=O)C1(C)CCCCN1	PC-id_104596653	289.396	FNBYUFJAURMJAV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050951
N#Cc1c(sc2c1CCC2)NC(=O)C1(CN)CCCC1	PC-id_115435192	289.396	GIBDIRYLLCUMFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050952
O=C(c1ccc(s1)C(C)C)NCc1cnc2n1CCC2	MCULE-1212210881,EMOLS-id_320169786	289.396	NCILDXIHCVKFFH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050953
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)C1(C)N=N1	EMOLS-id_319871771	289.396	QEOLHCTXCXPEBZ-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-050954
O=C(c1sc2c(c1)CCC2)Nc1n[nH]c(c1)C(C)(C)C	PC-id_115752068	289.396	VRTPCWFVLNTXAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050955
O=C(c1sc2c(c1)CCC2)NC(c1cnn(c1C)C)C	PC-id_51079373,EMOLS-id_31927572,MCULE-6518376623	289.396	JIKKPAMQWRLYRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050956
O=C(c1sccc1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319723962	289.396	LMUWJCIBWRGZAJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050957
O=C(c1sccc1C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318805342	289.396	QKTBZGDGOUJBQD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050958
O=C(Cc1sc(cc1C)C)NCc1cnc2n1CCC2	EMOLS-id_319668036	289.396	PNXSWWJAFDYEGW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050959
O=C(Cc1sc(cc1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319849025	289.396	IUPGIKOAGXOFNI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050960
OCCN(Cc1sc2c(n1)CCC2)Cc1cccnc1	PC-id_109974783	289.396	FIXSHTCNESHGSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050961
O=C(NCc1cnc2n1CCC2)CCc1ccc(s1)C	MCULE-8617646515,EMOLS-id_319989167	289.396	HQMGBDMKEQGVGR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-050962
s1c2CCCc2cc1CNc1nccn(CCC)c1=O	PC-id_62939715	289.396	VKSMBHMXFBYIHH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050963
s1c2CCCc2cc1CNc1nccn(C(C)C)c1=O	PC-id_62939871	289.396	LXZNIBQUTPVAJP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050964
s1c2CCCc2cc1CNc1ncnc(OCC)c1C	PC-id_66325618	289.396	HRXMDPLVSKZNEN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050965
s1c2CCCc2cc1CNc1nc(nc(OCC)c1)C	PC-id_66327114	289.396	SXYKLPACEJFODY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050966
s1c2CCCc2cc1CNc1ncnc(OCCC)c1	PC-id_66329372	289.396	JYWYUGUBUQNALF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050967
s1c2CCCc2cc1CNc1ncnc(OC(C)C)c1	PC-id_66329373	289.396	NOIJMHUYZDOMCT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-050968
s1c2CCCc2cc1CNC(=O)c1n(CC)cc(N)c1	PC-id_61209121	289.396	NOJCRRIRSCLZPF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-050969
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(C)C#N	PC-id_63337803	289.396	OPMZCHALMBICFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-050970
s1c2c(CCC2)cc1C(=O)NC1(CCN(CC1)C)C#N	PC-id_61122765	289.396	PRKCSYZTLGDHGQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050971
s1c2c(CCC2)cc1C(=O)NC1CCN(CC1)CC#N	PC-id_63627313	289.396	YXHNCGSHVXCKMZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050972
s1c2CCCc2cc1C(=O)Nc1n(ncc1)C(CC)C	PC-id_78841677	289.396	BADUCFBHERRTFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050973
s1c2CCCc2cc1C(=O)NCCCc1c([nH]nc1)C	PC-id_62040912	289.396	CVIURMXXAMILPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050974
s1c2c(CCC2)c(c1NC(=O)C1C(CCC1)CN)C#N	PC-id_65895162	289.396	FZQMCNFRWTURIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050975
s1c2c(CCC2)c(c1NC(=O)C1(CCCNC1)C)C#N	PC-id_63135206	289.396	KZZOYSDWTDHBEF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050976
s1c2c(CCC2)c(c1NC(=O)C1CCC(N)CC1)C#N	PC-id_61260760	289.396	HJUVXXHRPJRHKQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050977
s1c2c(CCC2)c(c1NC(=O)C1(CCNC1)CC)C#N	PC-id_63141402	289.396	ALINDNKZQADEPE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050978
s1c2c(CCC2)c(c1NC(=O)C1(CCNCC1)C)C#N	PC-id_63122460	289.396	JASZSIXCMSEORU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050979
s1c2c(CCC2)c(c1NC(=O)C1CC(N)CCC1)C#N	PC-id_63044893	289.396	GBSRZVUSQXUOFS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050980
s1c2c(CCC2)c(c1NC(=O)C1C(N)CCCC1)C#N	PC-id_64823250	289.396	STYZNEZTJZXZMT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050981
s1c2c(CCC2)c(c1NC(=O)C1(NCCC1)CC)C#N	PC-id_83072058	289.396	FFLJYXMPOKWQDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050982
s1c2c(CCC2)c(c1NC(=O)C1(N)CCCCC1)C#N	PC-id_61259847	289.396	WPDCRPUBMZCZNE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050983
s1c2c(CCC2)c(c1NC(=O)C1NCCCCC1)C#N	PC-id_64564243	289.396	MORKGGZRSPPKCW-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-050984
s1c2c(CCC2)c(c1NC(=O)CC1(CCC1)CN)C#N	PC-id_81171796	289.396	UNRPJAMNGDGRAO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-050985
s1c2c(CCC2)c(c1NC(=O)CC1CCCNC1)C#N	PC-id_62676353	289.396	DJUNLWSYLUVWJQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050986
s1c2c(CCC2)c(c1NC(=O)CC1CCNCC1)C#N	PC-id_61260943	289.396	SIMPLXUZBXYZIL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-050987
s1c2c(CCC2)c(c1NC(=O)CC1(N)CCCC1)C#N	PC-id_64676796	289.396	QOFQCBUEMFFDLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050988
s1c2c(CCC2)c(c1NC(=O)CCC1CCNC1)C#N	PC-id_81720693	289.396	BROWVBXJXICJSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050989
s1c2c(CCC2)c(c1NC(=O)CNC1CCCC1)C#N	PC-id_60648455	289.396	IEBXNHRQUNTOCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050990
s1c2CCCc2nc1C(NCCOC)c1cccnc1	PC-id_62541931	289.396	DZDSFCLWRPKEEH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-050991
s1c2CCCc2nc1NC(=O)C1(CCCCCC1)C#N	PC-id_61844334	289.396	CMFFJNODQGCHRX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-050992
s1c2CN(Cc2nc1N)CCCCOc1ccccc1	PC-id_82194348	289.396	QPUGTSDDADMTQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050993
s1c2CN(Cc2nc1N)CCCOc1ccc(cc1)C	PC-id_82194289	289.396	WNYZHYKMLDSQPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050994
s1c2CN(Cc2nc1N)CCCOc1cc(ccc1)C	PC-id_82194305	289.396	ZIIBCAQOCXFJPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050995
s1c2CN(Cc2nc1N)CCOc1cc(cc(c1)C)C	PC-id_82194288	289.396	XNJLTBNDMUGDAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-050996
s1c(NC(=O)C2(C(N)CCC2)C)c(c2CCCc12)C#N	PC-id_82767419	289.396	IVSXXZWZMYLJFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-050997
c12SCCn1cc(CNCc1cn(nc1C)CC=C)n2	ZINC22_55154181,MCULE-6385319687,EMOLS-id_31609034,PC-id_46987649	289.399	KJGUOAAZENWRIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-050998
CC1CC(c2n1ccn2)Nc1snc(n1)C1CCCC1	MCULE-8912059388,EMOLS-id_102041395	289.399	GOOSWFZSZFVMIH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-050999
CC1CC(c2n1ncn2)NCCc1sc2c(n1)CCC2	EMOLS-id_318510343,MCULE-3865445178	289.399	SNRITJUAQPKULK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051000
Cc1nc(NCCc2nc3n(c2)CCS3)c(c(n1)C)C	EMOLS-id_318066309,MCULE-1674552200	289.399	HXAJHBHCPPCTFG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051001
Cc1[nH]nc(n1)C1CCN(C1)Cc1sc2c(n1)CCC2	MCULE-3473222489,EMOLS-id_318691712	289.399	UVIQRVMZBOJPOY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-051002
CC(c1nccc(n1)NCCc1nc2n(c1)CCS2)C	EMOLS-id_99840506	289.399	PUNDJCYRQXVIKL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051003
CC(c1ncnc(c1)NCCc1cn2c(n1)SCC2)C	EMOLS-id_99838462	289.399	GHGDQRKIGIIRSI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051004
CN(C)c1nccnc1NCCc1nc2CCCc2s1	MCULE-8454633122,PC-id_135102428,EMOLS-id_317345112,ZINC22_1704300504	289.399	XZMKAOXZOFLTRS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051005
CC(Cc1ccccc1F)NCc1sc2c(c1)CCC2	PC-id_114829499	289.411	TVGUFGIZFQZZCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051006
CC(Cc1ccc(cc1)F)NCc1sc2c(c1)CCC2	PC-id_114829500	289.411	SANREDRWNNNSQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051007
CC(Cc1cccc(c1)F)NCc1sc2c(c1)CCC2	PC-id_114829501	289.411	SLEKAJUYVBJYPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051008
CCC(c1cccc(c1)F)NCc1sc2c(c1)CCC2	PC-id_114871453	289.411	MCILBPFRPJARIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051009
CCC(c1ccccc1F)NCc1sc2c(c1)CCC2	PC-id_115971843	289.411	KNYRNWYUCWFKDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051010
CCCNC(c1ccccc1F)c1sc2c(c1)CCC2	PC-id_115827907	289.411	NZMRMSPDLGNSKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051011
CCCNC(c1sc2c(c1)CCC2)c1cccc(c1)F	PC-id_115791843	289.411	HLZBTSFEBXJKNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051012
CCNC(c1ccc(cc1C)F)c1sc2c(c1)CCC2	PC-id_115852558	289.411	DTANTOIKYUYBLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051013
CCNC(c1ccc(c(c1)F)C)c1sc2c(c1)CCC2	PC-id_107130168	289.411	XUSJKNQJCHZNRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051014
CCNC(c1cc(C)ccc1F)c1sc2c(c1)CCC2	PC-id_115852905	289.411	NVFWLBOLKOFGHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051015
CCNC(c1cc(F)ccc1C)c1sc2c(c1)CCC2	PC-id_115852057	289.411	PKQFTUMMCUMOMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051016
CCNC(c1sc2c(c1)CCC2)c1cc(C)cc(c1)F	PC-id_105016602	289.411	ZNYQWJDLTKNEAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051017
CNC(c1c(C)cc(cc1C)F)c1sc2c(c1)CCC2	PC-id_106877895	289.411	ATQSTXYHJMKPHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051018
CNC(c1c(C)cc(cc1F)C)c1sc2c(c1)CCC2	PC-id_106883974	289.411	YPRSAKQZECZYLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051019
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1C)F	PC-id_105050916	289.411	OITTUBCHAJFARP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051020
CNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1C	PC-id_105377091	289.411	DTXAHUAOUUYJJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051021
s1c2c(CCC2)cc1C(NC)c1cc(c(F)c(c1)C)C	PC-id_65299435	289.411	AJHDJUOAIMTDNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051022
s1c2c(CCC2)cc1CNC(c1cc(F)c(cc1)C)C	PC-id_80205517	289.411	XZSUQKWURMCCEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051023
s1c2c(CCC2)cc1C(NCC)c1cc(c(F)cc1)C	PC-id_79747056	289.411	PJNVNDNPQGPRPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051024
s1c2c(CCC2)cc1C(NCCC)c1ccc(F)cc1	PC-id_43494625	289.411	KBGMOZNLGAIYQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051025
s1c2c(CCC2)cc1C(NCC)Cc1ccc(F)cc1	PC-id_61064135	289.411	DROASVOFPLZRMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051026
s1c2c(CCC2)cc1CNC(CC)c1ccc(F)cc1	PC-id_61209320	289.411	TYXYZPKCAQMUOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051027
s1c2c(CCC2)cc1C(NCC)Cc1cc(F)ccc1	PC-id_61065938	289.411	CENISYCPSLVSLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051028
s1c2c(CCC2)cc1C(NCC)Cc1c(F)cccc1	PC-id_61065416	289.411	RHYJGFPDWUFJGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051029
CC1CC(CC(C1)(C)C)C(=O)NCc1nn2c(c1)CCC2	MCULE-3067835275,EMOLS-id_177313856	289.416	CGNJPPIXOHNENS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051030
CC1CC(CCN1C(=O)c1cnn2c1CCC2)C(C)(C)C	EMOLS-id_102800735	289.416	GAWIQDIVXKTHGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051031
CC1CC(CCN1C(=O)c1nn2c(c1)CCC2)C(C)(C)C	EMOLS-id_102800738	289.416	FXTAQPSLVKWVHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051032
CC(c1nn2c(c1)CCC2)NC1C2CCCOC2C1(C)C	MCULE-5858317977,EMOLS-id_318373443	289.416	FZMVPAGSVDMCRK-UHFFFAOYSA-N	00001010100010000001001010000000000000000000000000000000	25-01-051033
CCCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109723	289.416	SJATZBMYUYSBAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051034
CC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109725	289.416	VGLQDEGAVSBAAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051035
C[C@@H]1C[C@@H](C(=O)NCc2cc3n(n2)CCC3)CC(C)(C)C1	ZINC22_585130794	289.416	CGNJPPIXOHNENS-CHWSQXEVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051036
C[C@@H]1C[C@H](C(=O)NCc2cc3n(n2)CCC3)CC(C)(C)C1	ZINC22_585130795	289.416	CGNJPPIXOHNENS-OLZOCXBDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051037
C[C@H]1C[C@@H](C(=O)NCc2cc3n(n2)CCC3)CC(C)(C)C1	ZINC22_585130796	289.416	CGNJPPIXOHNENS-QWHCGFSZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051038
C[C@H]1C[C@H](C(=O)NCc2cc3n(n2)CCC3)CC(C)(C)C1	ZINC22_585130797	289.416	CGNJPPIXOHNENS-STQMWFEESA-N	00000010100010000001000010000000000000000000000000000000	25-01-051039
C[C@H](c1ccccc1)NC(=O)c1sc2c(c1)CSC2	CoCoCo_2133837	289.416	VMRQYYWZRFUXCK-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051040
C[C@@H](c1ccccc1)NC(=O)c1sc2c(c1)CSC2	CoCoCo_2133838	289.416	VMRQYYWZRFUXCK-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-051041
O=C(c1cnn2c1CCC2)N1CCCC(CC1)C(C)(C)C	EMOLS-id_102816971	289.416	ILTVUEYTNVUCDD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051042
O=C(c1nc2n(c1)CCC2)N1CCCC(CC1)C(C)(C)C	EMOLS-id_102947180	289.416	LDYUFWNKBIDFLM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051043
O=C(CC1CCCCC1(C)C)NCc1cnc2n1CCC2	EMOLS-id_319448010	289.416	JSWLQFVHGAHRBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051044
O=C(C(CC1CCCCC1)C)NCc1cnc2n1CCC2	EMOLS-id_319215354	289.416	DVBIMBXHERABTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051045
O=C(CC(C1CCCCC1)C)NCc1cnc2n1CCC2	MCULE-7547746639,EMOLS-id_320002080	289.416	MEYWNRSNCTXNBM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051046
O=C([C@@H]1CC[C@H](CC1)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_320312153,MCULE-9191757398	289.416	IYTPEBYYVKIOEX-HDJSIYSDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051047
S1Cc2c(noc2NC(=O)c2c(OCC)cccc2)C1	PC-id_49719035	290.338	ALQPWZNBPMHQLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051443
O=C([C@@H]1CC[C@H](CC1)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320022522,MCULE-6170066659	289.416	KKKBGEZXROPGNZ-JOCQHMNTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051048
O=C(NCc1cnc2n1CCC2)CCC1CCCCCC1	MCULE-7932066202,EMOLS-id_320100971	289.416	MUISVGUCGPRKRN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051049
O=C(NCc1n[nH]c2c1CCC2)CCC1CCCCCC1	EMOLS-id_319390383	289.416	WQRSUOJRLLOJMV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051050
s1c2CCCc2cc1C(=O)Nc1ccc(SC)cc1	PC-id_9153937	289.416	TVICKWOIYLXILS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051051
s1c2CCCc2cc1C(=O)Nc1cc(SC)ccc1	PC-id_9068194	289.416	GFMATPLKVRYSFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051052
s1c2CCCc2cc1C(=O)Nc1c(SC)cccc1	PC-id_31819792	289.416	CXPJPHOODXMZNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051053
s1c2c(CSC2)cc1C(=O)NC(c1ccccc1)C	PC-id_20864698	289.416	VMRQYYWZRFUXCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051054
S1Cc2c(sc(c2)C(=O)NCc2ccc(cc2)C)C1	PC-id_20864697	289.416	GMNASPWUFIYBMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051055
S1Cc2c(sc(c2)C(=O)NCCc2ccccc2)C1	PC-id_20864699	289.416	USUSYXHQHISPTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051056
CCCNCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_114140901	289.417	LWGAKRQBXWYLNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051057
CCNCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053351	289.417	DXHPQWUKMFWQHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051058
CCNCC(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053387	289.417	XOSMQCUKNBBJLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051059
CC(NCCS(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_54971964,EMOLS-id_314119968	289.417	RVCHFCCBWHCHGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051060
CNCCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_114140899	289.417	YYWLWWZFBOGAEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051061
S(=O)(=O)(NCCc1nc2SCCn2c1)CC(C)C	PC-id_7640566	289.417	NUTSRAGRFPSONU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051062
Cc1ccc(c(c1)C(=S)N)Nc1sc2c(n1)CCC2	PC-id_107928726	289.419	VSBLEAFFZJYDLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051063
N1C(C2C(NC(c3n4CCCc4nn3)C)CCC2)CCC1	PC-id_79536871	289.419	FAMYGNXPSGOYPE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-051064
NC(c1sc2c(c1)CCC2)Cc1nc2n(c1)ccs2	PC-id_105023445	289.419	DFCDZXBEVRWPIV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-051065
NC(=S)c1cccc(c1Nc1sc2c(n1)CCC2)C	PC-id_107108038	289.419	LARBMEIWVGSOKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051066
s1c2CCCc2nc1Nc1c(ccc(c1)C)C(=S)N	PC-id_62303624	289.419	OLQWQGWWZDDLAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051067
s1c2CCCc2nc1Nc1c(cc(cc1)C(=S)N)C	PC-id_61511681	289.419	ACCZJPNDANOSAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051068
s1c2CCCc2nc1Nc1cc(c(cc1)C(=S)N)C	PC-id_81276719	289.419	XGAOPPCUGSRQPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051069
CC1(C)Cc2cc(C(=O)N3CC[C@@H]3CC3CC3)sc2C1	ZINC22_2325873669	289.436	PITOJDWBPPDEAI-CYBMUJFWSA-N	00101010100000000000000010000000000000000000000000000000	25-01-051070
CC1(C)Cc2cc(C(=O)N3CC[C@H]3CC3CC3)sc2C1	ZINC22_2325873670	289.436	PITOJDWBPPDEAI-ZDUSSCGKSA-N	00101010100000000000000010000000000000000000000000000000	25-01-051071
s1c2c(CCC2)cc1C(NCCC)c1c(oc(c1)C)C	PC-id_61715679	289.436	DLSFJPISCPTNTM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-051072
s1c2c(CCC2)cc1C(NCCC)c1oc(cc1)CC	PC-id_62346951	289.436	YOIJDYBGKQWVHK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-051073
CCc1cc(n(n1)C)CC(c1sc2c(c1)CCC2)NC	PC-id_104998934	289.439	SULKCBHIGMXMJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051074
CCc1cc(n(n1)CC)CC(c1sc2c(c1)CCC2)N	PC-id_105001555	289.439	TZNPLCXDJOBAIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051075
CCC(n1ccc(n1)CC(c1sc2c(c1)CCC2)N)C	PC-id_104989661	289.439	BNHFNFLPKCPSKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051076
CCCn1ccnc1CC(c1sc2c(c1)CCC2)NC	PC-id_105012202	289.439	VPZMYXDGDDYWJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051077
CCCNC(c1ccnn1CC)c1sc2c(c1)CCC2	PC-id_115857942	289.439	AZOBHEDJLAOXRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051078
CCCNC(c1sc2c(c1)CCC2)c1cnn(c1)CC	PC-id_115815740	289.439	CMAVXIYBPKUASV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051079
CCCNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C	PC-id_105025357	289.439	FVNXFVOFTVNLDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051080
CCCNC(c1sc2c(c1)CCC2)Cc1cnn(c1)C	PC-id_115821391	289.439	FEBRGRKJIYDTPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051081
CCCNC(c1sc2c(c1)CCC2)Cc1nccn1C	PC-id_105011334	289.439	NMPJKVHKYNOSRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051082
CCNC(c1ccnn1CCC)c1sc2c(c1)CCC2	PC-id_115857737	289.439	VICCDBSRTANMDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051083
CCNC(c1sc2c(c1)CCC2)c1cnn(c1)CCC	PC-id_115808207	289.439	WZTKKQKJQARIMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051084
CCNC(c1sc2c(c1)CCC2)Cc1cc(nn1C)C	PC-id_104996429	289.439	IJGMGNCFYABNMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051085
CCNC(c1sc2c(c1)CCC2)Cc1cnn(c1)CC	PC-id_115822893	289.439	LKSYCNFTCQRRNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051086
CCNC(c1sc2c(c1)CCC2)Cc1nccn1CC	PC-id_105009509	289.439	ZABUEKYOKHDVDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051087
CCNC(c1sc2c(c1)CCC2)CCc1ccnn1C	PC-id_103030344	289.439	YVOBGRGUXFUZKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051088
CCNC(c1sc2c(c1)CCC2)CCc1cnn(c1)C	PC-id_103029567	289.439	OLYGNKVOLOJZQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051089
CCNC(c1sc2c(c1)CCC2)CCc1nccn1C	PC-id_105050127	289.439	UYGCUDHPSROYSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051090
CN=C(c1c(N=C)sc2c1CCC2)NC1CCCCC1	PC-id_144415447	289.439	LCVATPOCWNESFR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-051091
CNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C(C)C	PC-id_104989921	289.439	GUVLBSAYMBYAMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051092
CNC(c1sc2c(c1)CCC2)Cc1cc(nn1CC)C	PC-id_105002505	289.439	ODBCMOQAKXUIRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051093
NC=NC(=NC1CCCCC1)c1c(C)sc2c1CCC2	PC-id_144415474	289.439	RRBMCSGHHYJNHA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-051094
s1c2c(CCC2)cc1CNCc1cn(nc1)C(C)(C)C	PC-id_61207229	289.439	QPUASNZTUJIVKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051095
s1c2c(CCC2)cc1CNCc1c(nn(c1)C)C(C)C	PC-id_61207411	289.439	DGUUUYBYOBVZAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051096
s1c2c(CCC2)cc1CNC(c1c(n(nc1C)C)C)C	PC-id_61890486	289.439	YPZLAUQSBJMJKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051097
s1c2c(CCC2)cc1CNCc1n(nc(c1)CC)CC	PC-id_65846504	289.439	NQFHKWDJBIPZGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051098
s1c2c(CCC2)cc1CNCc1nn(C(CC)C)cc1	PC-id_64800473	289.439	SQFOMQJUPLOINV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051099
s1c2c(CCC2)cc1C(NCC)c1n(CCC)ccn1	PC-id_61317947	289.439	SKQJUUDBELSZAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051100
s1c2c(CCC2)cc1C(NCCC)c1n(CC)ccn1	PC-id_61315202	289.439	NTBLQCPGETWAKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051101
s1c2CCCc2cc1CNCc1ccc(SC)cc1	PC-id_61207770	289.459	KFBDRLJIPDCRDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051102
s1c2CCCc2cc1CNCCSc1ccccc1	PC-id_79222617	289.459	HEHBNSZODUBLTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051103
s1c(C(NCc2sc3c(CCC3)c2)C2CC2)ccc1	PC-id_54982767	289.459	PKHQRSAEIJCONW-UHFFFAOYSA-N	00100010100100000000000010000000000000000000000000000000	25-01-051104
CCNC(c1sc2c(c1)CCC2)C1=CCCCCCC1	PC-id_106656412	289.479	PIBQJCFRMZCVNT-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-051105
s1c(C(NCCC)C2=CCCCCC2)cc2c1CCC2	PC-id_63506329	289.479	NLJZJULYFAVIFH-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-051106
c12CN(Cc1nn(CC(F)F)c2Cl)CC(F)(F)F	EMOLS-id_324342112,MCULE-2342854337	289.633	HWOOGCSCRFDYPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051107
c12n(CCN1CC(F)(F)F)ncc2S(=O)(=O)Cl	EMOLS-id_317864447,MCULE-6768914151	289.663	LTWXULQSYAAAHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051108
c1(=CC(=O)Nc2ccc(cc2)Cl)c(O)nc2ncnn12	MCULE-2489503563,PC-id_73373285	289.677	IIOODXRWOOHEFX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-051109
O=C(/C=c/1c(O)nc2ncnn12)Nc1ccc(Cl)cc1	PC-id_135727168,ZINC22_9287440	289.677	IIOODXRWOOHEFX-WEVVVXLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-051110
CCn1c(cc2c1CC(=O)O2)C(=O)c1ccc(cc1)Cl	SCHEMBL7676770,PC-id_18424155	289.714	CSLZMTOMDAZFST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051111
Clc1c2n(CCC2C(=O)O)c(c1)C(=O)c1ccccc1	PC-id_15580634,SCHEMBL11001278	289.714	MYFVBGMSHWTXDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051112
Clc1cc2n(CCC2(C(=O)c2ccccc2)C(=O)O)c1	SCHEMBL10977333,PC-id_70485513	289.714	MGBFHUQDADHBHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051113
Clc1ccc(cc1)C(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL4783579,PC-id_69188335	289.714	DMJJGCHWEBPATG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051114
Clc1ccc(C(=O)c2n(c3C(C(=O)Oc3c2)C)C)cc1	SCHEMBL7678489,PC-id_9795998	289.714	OYRNVCZCYHHICY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051115
Clc1ccc(C(=O)c2n(c3c(OC(=O)C3)c2C)C)cc1	SCHEMBL7674670,PC-id_18424218	289.714	VBDJVCBVYCGDEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051116
Clc1cc(C(=O)c2n(c3C(C(=O)Oc3c2)C)C)ccc1	SCHEMBL7678263,PC-id_54434964	289.714	WKBUWTWKLNQMNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051117
Clc1cc(C(=O)c2n(c3c(OC(=O)C3)c2)C)ccc1C	SCHEMBL7678438,PC-id_9947931	289.714	XEAOOHMLPWAWGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051118
O=C(c1ccccc1)c1c(Cl)cc2n1CCC2C(=O)O	CHEMBL170795,SCHEMBL10934380,PC-id_13068178	289.714	IBABWRGZCFLEKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051119
O=C(c1ccccc1Cl)c1ccc2n1CCC2C(=O)O	SCHEMBL11351729,PC-id_13487036,CHEMBL9154	289.714	KTAUAEMXAXSTNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051120
O=C(c1cccc(Cl)c1)c1ccc2n1CCC2C(=O)O	PC-id_13487038,SCHEMBL11349092,CHEMBL9497	289.714	QBMAHFSKIZFSGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051121
O=C(c1ccc(Cl)cc1)c1ccc2n1CCC2C(=O)O	SCHEMBL9792212,CHEMBL9351,PC-id_13487039	289.714	AWYPVJCKATWYJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051122
O=C(c1ccc(Cl)cc1)c1ccc2n1CC(C(=O)O)C2	CHEMBL9420,PC-id_13487075	289.714	OXSPDFAQTOQHHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051123
N#Cc1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)Cl	PC-id_140261658	289.717	UHPCOZKLHDGCOP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051124
CC1CCc2c1c(nn2Cc1cccc(Cl)c1F)C#N	MCULE-2200429195,EMOLS-id_331019512	289.735	SWULXACTURNFAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051125
CC1CCc2c1c(nn2Cc1cccc(F)c1Cl)C#N	MCULE-6042527454,EMOLS-id_331021559	289.735	DSFCCHFRIVFONP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051126
CC1CCc2c1c(nn2Cc1ccc(Cl)cc1F)C#N	MCULE-7331646423,EMOLS-id_331020024	289.735	HUZPBJAIORFVOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051127
CC1CCc2c1c(nn2Cc1ccc(Cl)c(F)c1)C#N	EMOLS-id_331021560,MCULE-3588708007	289.735	YPUCDKROIJTRRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051128
CC1CCc2c1c(nn2Cc1ccc(F)cc1Cl)C#N	MCULE-2845791843,EMOLS-id_331021047	289.735	GFYBVPDFGOUFOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051129
CC1CCc2c1c(nn2Cc1ccc(F)c(Cl)c1)C#N	MCULE-8021590087,EMOLS-id_331019256	289.735	SUYGZKBUWLDDCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051130
CC1CCc2c1c(nn2Cc1cc(F)ccc1Cl)C#N	EMOLS-id_331021303,MCULE-5040761187	289.735	LPWYFSTZAUMFTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051131
CC1CCc2c1c(nn2Cc1cc(F)cc(Cl)c1)C#N	MCULE-1816905248,EMOLS-id_331019768	289.735	AMADILQJSAMIKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051132
CC1CCc2c1c(nn2Cc1c(F)cccc1Cl)C#N	EMOLS-id_331020791,MCULE-3573399960	289.735	MBBONBMGPQGUBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051133
CC1CCc2nn(Cc3cccc(Cl)c3F)c(C#N)c12	MCULE-1099127906,EMOLS-id_331004338	289.735	GKOPIULHUDIYLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051134
CC1CCc2nn(Cc3cccc(F)c3Cl)c(C#N)c12	EMOLS-id_331002290,MCULE-4373950285	289.735	AERLMOXJXDCLLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051135
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(C#N)c12	EMOLS-id_331004850,MCULE-5394360062	289.735	MBYLGZZCEKRAQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051136
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(C#N)c12	MCULE-7858037751,EMOLS-id_331002291	289.735	DXXJLUUFRXMBFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051137
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(C#N)c12	MCULE-9702288322,EMOLS-id_331005873	289.735	FTNOONIMMPLFOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051138
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(C#N)c12	MCULE-6308091402,EMOLS-id_331004082	289.735	VHGSIZRJXMZQOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051139
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(C#N)c12	MCULE-5406604600,EMOLS-id_331002034	289.735	FMWDZWZWPJOZHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051140
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(C#N)c12	MCULE-9711690900,EMOLS-id_331004594	289.735	KFMHTEWYILFFAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051141
CC1CCc2nn(Cc3c(F)cccc3Cl)c(C#N)c12	MCULE-2919563716,EMOLS-id_331005617	289.735	DRLPRSGCYBOLLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051142
Clc1cc(CC2CCc3c2[nH]c(c3)C(=O)OC)ccc1	SCHEMBL2076153,PC-id_59180204	289.757	VJOWBNVYYXUTTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051143
Clc1cc(CC2CCc3[nH]c(cc23)C(=O)OC)ccc1	SCHEMBL1005522,PC-id_59180250	289.757	QRZQAOURDXLAJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051144
Clc1ccc(CC2CCc3[nH]c(cc23)C(=O)OC)cc1	SCHEMBL1004177,PC-id_59180242	289.757	AUQRNKBLAJFLGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051145
c1(cn2c(CCC2)n1)C(=O)Nc1c(C)cc(cc1Cl)C	EMOLS-id_321296346,MCULE-3668562194	289.76	IWTSQPRYFQCANK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051146
c1(C(=O)Nc2ccc(cc2C)Cl)c2CCCc2n(C)n1	MCULE-5569975791,EMOLS-id_179745328,PC-id_110389088	289.76	XGJAWDBYNGPHBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051147
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2Cl)n1	EMOLS-id_331034634,MCULE-1544100274	289.76	KAOANHIUDHOCHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051148
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)Cl)n1	EMOLS-id_331035915,MCULE-8387570147	289.76	CKDFGQWBWGLXPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051149
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1Cl	MCULE-1392106876,EMOLS-id_331020723	289.76	PMRNQWHYCVFRFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051150
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)Cl	MCULE-3801321650,EMOLS-id_331022004	289.76	UOBUQUBYKVXGJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051151
c1(C(=O)Nc2c(C)ccc(Cl)c2)c2CCCc2n(C)n1	PC-id_110389087,MCULE-5609709585,EMOLS-id_179745325	289.76	ZHPTXHMVWAWYAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051152
c1(C(=O)Nc2ccc(c(Cl)c2)C)c2CCCc2n(C)n1	EMOLS-id_179745331,PC-id_110389089,MCULE-3665003750	289.76	RXVUGDYVNOWMQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051153
c1(C(=O)Nc2cccc(Cl)c2C)c2CCCc2n(C)n1	MCULE-1760247268,EMOLS-id_179745322,GD-id_ZINC49679761,PC-id_110389086	289.76	KCAGNSBJHGCSQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051154
c1(C(=O)NCc2ccccc2Cl)c2CCCc2n(C)n1	EMOLS-id_179745079,MCULE-3589836925,PC-id_110389005	289.76	WJSUOHZNNLBQCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051155
c1(C(=O)NCc2ccc(cc2)Cl)c2CCCc2n(C)n1	MCULE-9932900119,PC-id_110389006,EMOLS-id_179745082	289.76	UANMTTTVPNECHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051156
c1(C(=O)NCCc2ccc(cc2)Cl)c2CCCc2[nH]n1	EMOLS-id_179744628,MCULE-1028804789,PC-id_110388850	289.76	UOMIAWSWDRNKIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051157
c1(C(=O)NCCc2ccc(cc2)Cl)cn2c(CCC2)n1	EMOLS-id_321295062,MCULE-6186529890	289.76	GALXGWYMPZUGPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051158
c1(C(=O)NCCc2cccc(Cl)c2)c2CCCc2[nH]n1	PC-id_110388874,MCULE-4204382066,EMOLS-id_179744689	289.76	FRLHOJOUFAIELF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051159
c1(C(=O)NCCc2cccc(Cl)c2)cn2c(CCC2)n1	EMOLS-id_321294808,MCULE-1046899687	289.76	IVTSKSFXNIZIBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051160
c1(NC(=O)Cc2ccc(cc2)Cl)n(C)nc2CCCc12	MCULE-2356201928,EMOLS-id_43484331,PC-id_45536839,ZINC22_38884761	289.76	PKNYMBHYABVHEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051161
Cc1ccc(c(c1)Cl)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319210515	289.76	GNPYVKOBBSHPJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051162
Cc1ccc(C(=O)NCc2cnc3n2CCC3)cc1Cl	ZINC22_1363570064,EMOLS-id_316960630,MCULE-5552210600,PC-id_136560333	289.76	JKOFYLQLWVGEBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051163
Cc1cc(Cl)cc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318779806	289.76	KUPRGKRYYSOQFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051164
CCN(C(=O)c1n[nH]c2c1CCC2)c1cccc(c1)Cl	EMOLS-id_318486230	289.76	UVZDXWMJWICUDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051165
Clc1ccc(c(c1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318918883	289.76	AKAIDPGJOFENDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051166
Nc1cc(CNC(=O)c2[nH]c3c(c2)CCC3)ccc1Cl	EMOLS-id_319994831,MCULE-5986315061	289.76	GMABGOPHPGABRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051167
O=C(c1ccc(c(c1)C)Cl)NCc1cnc2n1CCC2	EMOLS-id_318847697	289.76	BIPFTCLWHZFBCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051168
O=C(c1cccc(c1C)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319986233,MCULE-3867115847	289.76	USEOPTNNOSKSIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051169
O=C(c1cccc(c1Cl)C)NCc1cnc2n1CCC2	EMOLS-id_318876129	289.76	SWMGDNMTLZIACG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051170
O=C(c1cccc(c1Cl)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319067119	289.76	ZOSLXYLDHXUSCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051171
O=C(c1c(C)cccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_319019459	289.76	SEQMOSLGHADGAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051172
O=C(Cc1ccccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_319589166	289.76	WIZMDHAGSGYQLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051173
O=C(Cc1cccc(c1)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318908365	289.76	CGKUXVSKCGWXHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051174
O=C(Cc1ccccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319244609	289.76	PLJRQEAOQJQCNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051175
O=C(Cc1ccc(cc1)Cl)NCc1n[nH]c2c1CCC2	MCULE-2566343238,EMOLS-id_320088051	289.76	NEOQZCFUFRPFJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051176
c12CN(Cc1sc(Cl)c2CO)C(=O)OC(C)(C)C	EMOLS-id_331063333,MCULE-8957295149	289.778	FSXSFXSFMUIXNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051177
N#Cc1ccc(c(c1)Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318546528,MCULE-7700783505	289.783	AQHQPWRVHQJSLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051178
N#Cc1c(cccc1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318660882,MCULE-4185485972	289.783	ABGAYDHBINXWPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051179
N#Cc1ccc(cc1Cl)NCc1sc2c(n1)CCC2	MCULE-9313002700,EMOLS-id_318816010	289.783	UTMUBQAJLLTPGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051180
N#Cc1ccc(cc1NCc1sc2c(n1)CCC2)Cl	MCULE-1081066388,EMOLS-id_318744684	289.783	KIROAMNJTIHIKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051181
N#Cc1cccc(c1NCc1sc2c(n1)CCC2)Cl	MCULE-5683930443,EMOLS-id_318659884	289.783	AWXPIJGNNGXOGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051182
N#Cc1cc(Cl)ccc1NCc1sc2c(n1)CCC2	EMOLS-id_318757261,MCULE-8559193667	289.783	GAIDETSIKDFWLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051183
N#Cc1ccnc(c1Cl)NCc1sc2c(c1)CCC2	PC-id_107061023	289.783	IPBOUYPXQOVVAB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-051184
N#Cc1cc(NCc2sc3c(c2)CCC3)nc(c1)Cl	PC-id_106194027	289.783	UDYGNSKTJICTDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-051185
Clc1ccc(C(N)c2c3CCCc3oc2C(C)C)cc1	PC-id_83610303	289.8	HYSAKFCZUXXZRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051186
Clc1ccc(C(N)c2c3CCCc3oc2CCC)cc1	PC-id_83610375	289.8	GNYFXZSFUQFXDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051187
Clc1sc2c(C(NC3CS(=O)(=O)C=C3)CC2)c1	PC-id_81251629	289.801	OHXQAYDNSPHOSQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-051188
c12CN(Cc1nn(CC(C)C)c2Cl)Cc1ccccc1	EMOLS-id_324345441,MCULE-7315085461	289.803	FKNPAVYHAGPAPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051189
CC1CCc2c1c(CN)nn2Cc1ccc(C)cc1Cl	MCULE-1193444429,EMOLS-id_331014641	289.803	IGHDJTLTDDVEGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051190
CC1CCc2c1c(CN)nn2Cc1cc(C)ccc1Cl	MCULE-2434212537,EMOLS-id_331015409	289.803	ZKGJRWCCDKFCPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051191
CC1CCc2c1c(CN)nn2Cc1cccc(C)c1Cl	MCULE-4319497945,EMOLS-id_331015153	289.803	KOCAMNIBBWRXKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051192
CC1CCc2c1c(CN)nn2Cc1c(C)cccc1Cl	MCULE-9481280328,EMOLS-id_331014897	289.803	GFVJHLNICBPNQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051193
CC1CCc2c1c(CN)nn2Cc1ccc(C)c(Cl)c1	EMOLS-id_331017201,MCULE-9601104061	289.803	NZVFFNRGHIIYCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051194
CC1CCc2c1c(CN)nn2Cc1cc(C)cc(Cl)c1	MCULE-4166170914,EMOLS-id_331017713	289.803	OUVMCSVLRODERR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051195
CC1CCc2c1c(CN)nn2Cc1cccc(Cl)c1C	EMOLS-id_331017457,MCULE-1262030550	289.803	OWIMRALIXVOMBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051196
CC1CCc2c1c(CN)nn2Cc1ccc(Cl)cc1C	MCULE-4682241856,EMOLS-id_331015922	289.803	GPBDWEQAGGSZRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051197
CC1CCc2c1c(CN)nn2Cc1ccc(Cl)c(C)c1	EMOLS-id_331016178,MCULE-6779250152	289.803	UGCFYDWKHZVKPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051198
CC1CCc2c1c(CN)nn2Cc1cc(Cl)ccc1C	EMOLS-id_331017969,MCULE-3019058802	289.803	NFGKZCWPNBEWLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051199
CC1CCc2nn(Cc3c(C)cccc3Cl)c(CN)c12	EMOLS-id_330996667,MCULE-2363830767	289.803	PBIROGMBSASBOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051200
CC1CCc2nn(Cc3cccc(C)c3Cl)c(CN)c12	MCULE-1130914079,EMOLS-id_330996923	289.803	VPEHEVBJNFLDKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051201
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(CN)c12	MCULE-4539689608,EMOLS-id_330997179	289.803	BUVRTPJDJVHZDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051202
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(CN)c12	MCULE-4994887281,EMOLS-id_330996411	289.803	NUHXQYSURRXGNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051203
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(CN)c12	EMOLS-id_330995388,MCULE-8227054465	289.803	FAPVZFYVJUWUTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051204
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(CN)c12	MCULE-3113105297,EMOLS-id_330994876	289.803	PBOMYJYNKMARIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051205
CC1CCc2nn(Cc3cccc(Cl)c3C)c(CN)c12	EMOLS-id_330995132,MCULE-4432879115	289.803	JOTUGXZIDOVVHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051206
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(CN)c12	EMOLS-id_330997692,MCULE-7341727565	289.803	ZKMXQOPDOORQPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051207
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(CN)c12	MCULE-5941980271,EMOLS-id_330993853	289.803	DOCYHFIASYCHRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051208
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(CN)c12	EMOLS-id_330995644,MCULE-6095877875	289.803	VXFHBLNLNFLJKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051209
CC(c1cc2n(n1)CCC2)NCc1ccc(c(c1)C)Cl	MCULE-5051788457,EMOLS-id_318173525	289.803	WAZXBFCOQVFELY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051210
CCc1cccc(c1CNC1CC(n2c1ncc2)C)Cl	EMOLS-id_318078708,MCULE-3835759125	289.803	YNCVKIUODAMZSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051211
CCc1cc(Cn2nc3CCC(C)c3c2N)ccc1Cl	MCULE-3463160185,EMOLS-id_331011495	289.803	QEWHVJQDVNGXSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051212
CCc1cc(Cn2nc(N)c3C(C)CCc23)ccc1Cl	EMOLS-id_330962426,MCULE-9319747863	289.803	QJWDYRQLRRUKGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051213
CC(c1nn2c(c1)CCC2)N[C@@H](c1ccccc1Cl)C	EMOLS-id_318304263	289.803	BMKVJEOABZOLHJ-JHJMLUEUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051214
CC(c1nn2c(c1)CCC2)N[C@H](c1ccccc1Cl)C	MCULE-2289442503,EMOLS-id_318185356	289.803	BMKVJEOABZOLHJ-PXYINDEMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051215
CCC(c1cccc(c1)Cl)NCc1cnc2n1CCC2	EMOLS-id_318390282	289.803	JTVSHOJNXAYZFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051216
CC(NC1CC(n2c1ncc2)C)Cc1ccc(cc1)Cl	EMOLS-id_318321213,MCULE-1941162574	289.803	FENNWFIMIUDQJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051217
Clc1ccc(cc1C)CCNC1CC(n2c1ncc2)C	EMOLS-id_318288138,MCULE-5039327941	289.803	ZFQAUVITYHSMRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051218
Clc1ccccc1C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_318219318,MCULE-1737599752	289.803	WKOLOBSHKIRZMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051219
Clc1cccc(c1)C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_318287878,MCULE-4359981122	289.803	AYYHVWMZYHKICD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051220
Clc1ccc(cc1)C(CNC1CCn2c1ncc2)(C)C	MCULE-7523126880,EMOLS-id_318364467	289.803	SPGNWLOTKHZWLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051221
Clc1ccc(cc1)[C@@H](NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318174808	289.803	LXQGEMPUBMQODB-PXYINDEMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051222
Clc1ccc(cc1)[C@H](NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318244961	289.803	LXQGEMPUBMQODB-JHJMLUEUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051223
Clc1ccc(cc1)C(NCc1cnc2n1CCC2)(C)C	EMOLS-id_318166798,MCULE-7358204631	289.803	KKUMEJXTPNFLLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051224
Clc1cccc(c1)C(NCc1cnc2n1CCC2)(C)C	MCULE-9960834858,EMOLS-id_318217778	289.803	PGLOIRQYGOETOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051225
Clc1ccc(cc1)C(NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318052004,MCULE-5367770465	289.803	LXQGEMPUBMQODB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051226
Clc1ccc(cc1)C(NCc1nn2c(c1)CCC2)(C)C	MCULE-1213254563,EMOLS-id_318009261	289.803	BAEYEVCBIBUISN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051227
Clc1cccc(c1)C(NC(c1nn2c(c1)CCC2)C)C	MCULE-6482401966,EMOLS-id_318371909	289.803	KJKDAXJLWOEGNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051228
Clc1cc(C)c(c(c1)C)CNC1CC(n2c1ncc2)C	MCULE-9671682594,EMOLS-id_318079798	289.803	DHSJGTZWEACVKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051229
CC(CCOC)(CNC1CCc2c1cc(s2)Cl)O	PC-id_114163976	289.821	LDPLRKVSZHDZPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051230
CCOC(CNC1CCc2c1cc(s2)Cl)OCC	PC-id_81252084,EMOLS-id_314640873	289.821	RSJNFRKBNVVPLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051231
Clc1sc2c(C(NCCCOCCOC)CC2)c1	PC-id_81251593	289.821	GZZAPNRZNDHJGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051232
Clc1sc2c(C(NC3C(C3)c3ccccc3)CC2)c1	PC-id_81252296	289.823	LJAFEBPMYSGYTE-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-051233
Clc1sc2c(C(NCC3Cc4c3cccc4)CC2)c1	PC-id_81252393	289.823	NKQLFZBWIDIWBX-UHFFFAOYSA-N	00001010100000100000001010000000000000000000000000000000	25-01-051234
Clc1cc2c(s1)CCC2NC1CCS(=O)CC1	PC-id_116144564	289.845	WVLFYRDJIVHYFM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-051235
CC(NC1CCc2c1cc(s2)Cl)CCSCC	PC-id_116411112	289.888	YFGLKVQYWPDTDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051236
CSCCCCCNC1CCc2c1cc(s2)Cl	PC-id_113586626	289.888	VSLXXLGPUIAIIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051237
CC1=C2C(=C(N1I)O)C(=NC2=O)C	PC-id_155237022	289.955	CEUUDYJJBRDHQF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-051238
ICN1C(=O)c2c(C1=O)cn(c2)C	PC-id_68324234,SCHEMBL12601408	290.058	MPHFUAKPZGPVCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051239
C=C=C[C@@H]1Cc2c(C1(F)F)n(nc2C(F)F)CC(=O)O	PC-id_164053131	290.068	WAGXXSVRYWAERA-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051240
Brc1sc2c(C(=O)N(C2=O)CC(=O)O)c1	SCHEMBL12586895,PC-id_58703360	290.091	PSMXYWJHCKPSPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051241
C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)NCC(=O)N	MCULE-8365116100,PC-id_154785654,EMOLS-id_317736649	290.099	BFDPAKTUGBSPBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051242
[O-][N+](=O)n1ccc2c1N([N+](=O)[O-])N(N2[N+](=O)[O-])[N+](=O)[O-]	PC-id_140595893	290.107	SXMAGGFPFGXFQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051243
CC1=C2N=C(C(N2C=C1)CC3=CC=CC=C3OC(F)F)C	PC-id_152630859	290.123	ZDMODJIKDKHVGW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-051244
c12CN(Cc1sc(C#N)c2I)C	EMOLS-id_330873671,MCULE-8097503753	290.124	ZADHXXPRCZNYMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051245
c1(C#N)c(I)sc2CN(C)Cc12	MCULE-7828949085,EMOLS-id_331064874	290.124	WJTKRPWYTQUDSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051246
CC1=NC=C(C(=N1)NC2=NNC3=C2CN(C3(C)C)C=O)F	PC-id_154983474	290.129	ZDJDSEOSPQQJHF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051247
CC(=O)N1Cc2sc(C(=O)O)c(Br)c2C1	EMOLS-id_331279398	290.134	IHCBMAVLXSWIRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051248
OC(=O)N1C(=O)c2c(C1(C)C)sc(c2)Br	SCHEMBL17837227,PC-id_121408838	290.134	YSJATXIMORHSPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051249
C1CC2=NC=NN2C1CN3C[C@H]([C@@H](C3)C(F)(F)F)CO	EMOLS-id_317351436,PC-id_154769183,MCULE-5929958518	290.135	UJLIGGWJJBYPLY-DJBFQZMMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051250
C1Cn2ccc(c2C1O)CNC(Cc1cnc[nH]1)C(=O)O	PC-id_163737446	290.138	LEVYVIDQGGFPMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051251
c12CCC(C)c1c(nn2C(C)C)I	MCULE-2321342564,EMOLS-id_330983411	290.144	WRBADZQBGFBGQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051252
c12C(C)CCc1n(nc2I)CCC	MCULE-7773114914,EMOLS-id_330984947	290.144	HQXFEAZRNSIVAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051253
c12C(C)CCc1nn(CCC)c2I	EMOLS-id_330966197,MCULE-2515926784	290.144	BKCIGVLWBZUMSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051254
c1(I)c2C(C)CCc2nn1C(C)C	MCULE-5389457833,EMOLS-id_330968756	290.144	ZWRSSPOVFZOIKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051255
CC(C)(C)n1nc(I)c2CCCc12	EMOLS-id_337957913	290.144	GLNSSTCQGLVOIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051256
BrC1CCn2c1ccc2C(=O)c1ccccc1	PC-id_59809891,SCHEMBL13653083	290.155	WWFDSKKFBIVEHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051257
Brc1sc2c(C(CC2)CN(C)C(=O)O)c1	SCHEMBL12970618,PC-id_70813466	290.177	MNFZESIWSBPMMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051258
c12CN(Cc1sc(Br)c2C(=O)OCC)C	MCULE-3976318530,EMOLS-id_331065896	290.177	JPELBGFFEPADPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051259
c1(C(=O)OCC)sc2CN(Cc2c1Br)C	MCULE-5885836559,EMOLS-id_330871878	290.177	HMMVDOBXQLYFEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051260
COCCN1C(C)c2c(C1=O)cc(s2)Br	PC-id_121439712,SCHEMBL17873736	290.177	JQKMDJNHTPYGCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051261
OCCN1C(=O)c2c(C1(C)C)sc(c2)Br	SCHEMBL17837261,PC-id_121408870	290.177	JQWOMTXGSVQRCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051262
CC(C1CCN(CC1)C)N(C)C(=O)C2=CN3CCCC3=N2	EMOLS-id_317317600,PC-id_154762843,MCULE-3781086723	290.211	FHTDWQFNXJIQMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051263
CCCCCCCCC1=NCc2c(c(nn12)C)NC(=O)C	PC-id_163663606	290.211	RIAOGIZHKZNGIO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-051264
BrCc1cc2c(s1)C(N(C2(C)C)O)(C)C	SCHEMBL12176675,PC-id_15348752	290.22	HHBQEPJQVCIOAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051265
BrCCCCCn1sc2c(CCC2)c1=O	PC-id_85734218	290.22	XWDQYPIDWBTEPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051266
NCc1c(Br)sc2c1C(C)(C)OC2(C)C	PC-id_114748677	290.22	SBDFVDSTKFPGIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051267
c1(C(F)(F)F)c2CCCc2n(CC(=O)CC(=O)OC)n1	ZINC22_48622908,ASN-22268483,EMOLS-id_30549511,PC-id_46949918,MCULE-7473136659	290.238	WLCAAQZAWHFCCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051268
O=C(C1NCc2c1c[nH]n2)N1CCOC(C1)C(F)(F)F	EMOLS-id_319527885	290.242	SVXZZHXEBJZKKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051269
C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NN=C(N)N	PC-id_137718614	290.245	ZKMHRNCZGYWFKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051270
s1c2CCCc2c(c1NC(=O)OCC(F)(F)F)C#N	PC-id_65174044	290.262	QFNNEZNJUHLHOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051271
C1Cc2c(C1)n(nc2C(F)(F)F)Cc1n[nH]c(=S)o1	PC-id_137794744	290.265	KWTGQABDKHNEHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051272
OCCOc1ccc(cn1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_319837586,MCULE-5673134501	290.275	RUSSDLJUYBRJOR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051273
COC(=O)c1cc(nn1C)NC(=O)N1CCn2c1ncc2	EMOLS-id_316522112	290.278	DNOJIYNETWZOIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051274
O=C(NC(c1n2CCCc2nn1)C)c1nc[nH]c1C(=O)O	PC-id_65638214	290.278	LIUQACNFWIWSHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051275
O=C(N(Cc1n2CCCc2nn1)C)c1nc[nH]c1C(=O)O	PC-id_65638224	290.278	QALUMQLUIQYEJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051276
CCOC(=O)c1c2C(C)CCc2nn1C(C)C(F)(F)F	MCULE-8587440649,EMOLS-id_330980023	290.281	UYXVIONZQWHNMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051277
CCOC(=O)c1nn(C(C)C(F)(F)F)c2CCC(C)c12	MCULE-8141870862,EMOLS-id_330995196	290.281	BHMPNBMQGXPTNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051278
CC(C)n1nc2c(c1NC(=O)NCC(F)(F)F)CCC2	EMOLS-id_172289843,ZINC22_346342029,MCULE-7135406192,PC-id_122133050	290.285	DDSICJICTLRXKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051279
OC(C(F)(F)F)C1CCN(C1)CC1CCc2n1ncn2	EMOLS-id_316092051,MCULE-9275835118	290.285	YKEAHCCWPXMHTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051280
O[C@H]([C@H]1CCN(C[C@@H]2CCc3ncnn23)C1)C(F)(F)F	ZINC22_639667233	290.285	YKEAHCCWPXMHTP-ATZCPNFKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051281
O[C@H]([C@@H]1CCN(C[C@H]2CCc3ncnn23)C1)C(F)(F)F	ZINC22_639667234	290.285	YKEAHCCWPXMHTP-FXPVBKGRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051282
O[C@H]([C@H]1CCN(C[C@H]2CCc3ncnn23)C1)C(F)(F)F	ZINC22_639667235	290.285	YKEAHCCWPXMHTP-IQJOONFLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051283
O[C@H]([C@@H]1CCN(C[C@@H]2CCc3ncnn23)C1)C(F)(F)F	ZINC22_639667236	290.285	YKEAHCCWPXMHTP-WCABBAIRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051284
CCOC(=O)C(C(=O)Nc1sc2c(n1)CCC2)(F)F	PC-id_112743081	290.286	JTYWQMJWPQVDOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051285
C/C=CC(=C/C(=CC=C)/F)C1COc2n1c(cn2)C(=O)O	PC-id_142091511	290.29	RMNJUCISBROPOZ-RTYLAVIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-051286
Cc1nnc2CC(CNC(=O)c3cccc(F)c3O)Cn12	MCULE-6214530424,EMOLS-id_317868224	290.293	GBZXWUHAWIZYIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051287
Cc1nnc2CC(CNC(=O)c3ccc(F)cc3O)Cn12	MCULE-4924471410,EMOLS-id_317893292	290.293	MCPKCZNPIVCKQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051288
Cc1nnc2n1C[C@@H](CNC(=O)c1cccc(F)c1O)C2	ZINC22_1772816163	290.293	GBZXWUHAWIZYIB-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051289
Cc1nnc2n1C[C@H](CNC(=O)c1cccc(F)c1O)C2	ZINC22_1772816164	290.293	GBZXWUHAWIZYIB-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-051290
Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(F)cc1O)C2	ZINC22_1772807306	290.293	MCPKCZNPIVCKQP-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051291
Cc1nnc2n1C[C@H](CNC(=O)c1ccc(F)cc1O)C2	ZINC22_1772807307	290.293	MCPKCZNPIVCKQP-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-051292
CCOc1cc(F)ccc1NC(=O)N1CCn2ccnc12	ZINC22_585138175,EMOLS-id_177322982,MCULE-4441074479	290.293	SRULXQAPXSMWCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051293
CN(C)Cc1nc2CN(Cc2o1)C(=O)c1ccncc1F	ZINC22_96260255,EMOLS-id_44372068,PC-id_97520331	290.293	ZFICGIVXSPYQHP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051294
COc1ccc(c(c1)CNC(=O)C1NCc2c1c[nH]n2)F	MCULE-7081851369,EMOLS-id_320185541	290.293	GAMGPUCPLFYITC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051295
COc1ccc(cc1F)N(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319151960	290.293	GLXLAYULCGEDSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051296
COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1F	EMOLS-id_16788998,PC-id_17537531,CoCoCo_4474381,MCULE-8883269020,ZINC22_12770912	290.293	BVIFOWJVXQHKKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051297
FCCOc1cccc(c1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318920882	290.293	DJWRIJDSINHZIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051298
O=C(C1NCc2c1c[nH]n2)NCC(c1ccccc1F)O	EMOLS-id_319824198	290.293	WBMZMDRPSOWMKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051299
O=C(C1NCc2c1c[nH]n2)NCCOc1ccc(cc1)F	EMOLS-id_319765257	290.293	MRDMVXNNABCFNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051300
O=C(COc1cccc(F)c1)NCc1nnc2n1CCC2	ZINC22_12922994,PC-id_25607472,CoCoCo_4560465,EMOLS-id_18901066,MCULE-1585245399	290.293	RQQBUDKGKKVBCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051301
O=C(NCCc1nnc2n1CCC2)c1cc(F)ccc1O	EMOLS-id_48756142,MCULE-6147438560,ZINC22_94021031,PC-id_75439631	290.293	FOXQZHGLUDPWNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051302
COc1cc[nH]c1/C=C
/C(=O)Nc2c1cc(s2)C(=O)O	PC-id_18626964,SCHEMBL6627805	290.294	JAAAGZILAKXILH-GQCTYLIASA-N	00000010110000000000000010000000000000000000000000000000	25-01-051303
COc1cc[nH]c1C=C1C(=O)Nc2c1cc(s2)C(=O)O	PC-id_67551189,SCHEMBL6627808	290.294	JAAAGZILAKXILH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-051304
COc1cc[nH]c1/C=C/1C(=O)Nc2c1cc(s2)C(=O)O	SCHEMBL6627800	290.294	JAAAGZILAKXILH-XQRVVYSFSA-N	00000010110000000000000010000000000000000000000000000000	25-01-051305
c1(sc2c(CNC2)n1)NC(=O)c1cccc(c1)N(=O)=O	MCULE-7254540460,PC-id_82194086	290.298	SZKMADGYRJNFLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051306
s1c2CNCc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_82194061	290.298	PIKJDJITKUIJDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051307
s1c2CN(Cc2nc1N)C(=O)c1ccc([N+](=O)[O-])cc1	PC-id_82194172	290.298	VCNAYQRLNMRQNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051308
s1c2CN(Cc2nc1N)C(=O)c1cc([N+](=O)[O-])ccc1	PC-id_82194196	290.298	FQZXSOQELSHBRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051309
s1c2CNCc2nc1NC(=O)c1c([N+](=O)[O-])cccc1	PC-id_82194062	290.298	SQURFRDPSJDUSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051310
s1c2CN(Cc2nc1N)C(=O)c1c([N+](=O)[O-])cccc1	PC-id_82194173	290.298	SSLYYPSHCDGYHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051311
CNC(=O)ON=C1n2c(SC1(C)C)nc(c2C#N)C#N	SCHEMBL10994790,PC-id_54531283	290.301	YWSSONFTJHIKBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051312
CC1CCc2c1c(C=O)nn2Cc1c(C)cc(F)cc1F	MCULE-9567263792,EMOLS-id_331003895	290.308	REOROYPXYVICIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051313
CC1CCc2c1c(C=O)nn2Cc1ccc(F)c(F)c1C	EMOLS-id_331003639,MCULE-2737051682	290.308	QGFSHODJKONIBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051314
CC1CCc2c1c(C=O)nn2Cc1cc(F)cc(F)c1C	EMOLS-id_331003383,MCULE-5178806933	290.308	KNNSHKBMHOTWLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051315
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(C=O)c12	EMOLS-id_330987698,MCULE-5561180499	290.308	DQUUCRXSPHBSIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051316
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(C=O)c12	MCULE-4851665897,EMOLS-id_330987442	290.308	PDMNWZWKVDJULL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051317
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(C=O)c12	EMOLS-id_330987186,MCULE-8799358603	290.308	OKDNDJRFEHPHAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051318
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1C=O	MCULE-1894185635,EMOLS-id_330988983	290.308	FIARGTKHQDYGKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051319
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988213,MCULE-6904883528	290.308	NWVYVGAWBBEYAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051320
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988469,MCULE-4664938455	290.308	IRABLJCAEMPJPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051321
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1C=O	MCULE-1798788154,EMOLS-id_330988727	290.308	HXRVHTBMHPMTKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051322
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1C=O	MCULE-1590952809,EMOLS-id_330988471	290.308	KPOAVJOFBZQUHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051323
O(C(=O)C1=C(n2c(C1)ccc2C(=O)C(=O)N(C)C)C)CC	PC-id_60112002	290.314	ACRRPZPIXBFFHA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-051324
c12CN(Cc1cnn2CCO)C(=O)c1cc(on1)CCC	MCULE-6296234371,ZINC22_67974892,PC-id_56759639,EMOLS-id_36615250	290.318	FPRLHVROZCAJEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051325
c1(C(=O)NCc2c(C)noc2C)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_317425248,MCULE-4099574551	290.318	BKWQUAJWVOHCOD-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-051326
c1(C(=O)NCc2c(C)noc2C)cc2n(CC(OC)C2)n1	MCULE-7160152533	290.318	BKWQUAJWVOHCOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051327
CC(c1nnc2n1CCC2)NCc1ccc(c(c1O)O)O	PC-id_107730726	290.318	BVPBJGRWTLKXNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051328
CC#CCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319144393	290.318	HDYNZOWCUPTZGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051329
CC(N1C(=O)CC(C1=O)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_101227993	290.318	QFXRSGMFBAVEAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051330
COC(=O)c1c(NC(=O)N2CCC=CC2)nc2n1CCC2	EMOLS-id_319187321	290.318	IYVOULZZLJERSM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-051331
COC(=O)c1coc(c1)CNC(c1nnc2n1CCC2)C	PC-id_104608595	290.318	HRBHYUFSXNAFCY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-051332
o1c(c(CNC(c2n3CCCc3nn2)C)cc1)C(=O)OC	PC-id_43791513	290.318	ZLSRUHARHAZPKQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-051333
o1c(CNC(c2n3CCCc3nn2)C)ccc1C(=O)OC	PC-id_43791522	290.318	YPVHQHVLTHNYJH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-051334
O=C(C(N1C(=O)CCC1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320234694,MCULE-8989085605	290.318	RFNRPAWAEDLSLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051335
s1c2CCCc2nc1NC(=O)c1ncc(OC)c([O-])c1	PC-id_52902099	290.318	IXWONPALXISJJA-UHFFFAOYSA-M	00000010100000101001000010000000000000000000000000000000	25-01-051336
C1Cn2c(c(nn2)C(=O)c2ccc(cc2)c2ccccc2)N1	PC-id_135924063	290.319	GOURKAWORFWVTQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-051337
O=C(N1Cc2c(C1)cn[nH]2)c1nccc(c1)c1ccccc1	EMOLS-id_319547190	290.319	IMXVEKZIKFNHBP-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-051338
C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnc2n1CCC2	ZINC22_65595470,PC-id_95157016	290.321	SFLJLNYALJBCDC-QMMMGPOBSA-N	00000010100011000001000010000000000000000000000000000000	25-01-051339
C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnc2n1CCC2	ZINC22_65595472,PC-id_95157017	290.321	SFLJLNYALJBCDC-MRVPVSSYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-051340
COCCCn1ccc(n1)NC(=O)N1CCn2c1ncc2	EMOLS-id_319408384	290.321	VAFOWTUWGCVPOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051341
O=C1CCC(=NN1C)C(=O)NC(c1nnc2n1CCC2)C	MCULE-4014108963,PC-id_53518405,EMOLS-id_35691654	290.321	SFLJLNYALJBCDC-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-051342
O=C(CCn1ncn(c1=O)C)NCc1n[nH]c2c1CCC2	MCULE-8108114019,EMOLS-id_319985403	290.321	WKYZSJMDKOTKJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051343
O=C(Cn1nc(n(c1=O)C)C)NCc1cnc2n1CCC2	EMOLS-id_319678321	290.321	UVCOJPBLELHTAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051344
O=C(Cn1nc(n(c1=O)C)C)NCc1n[nH]c2c1CCC2	MCULE-8517389426,EMOLS-id_320004733	290.321	JXAWLGDAMFNXOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051345
c1(NC(=O)NCc2nnc3CCCn23)cn(nn1)CCC	EMOLS-id_68869545,ZINC22_299762838,MCULE-9222714034,PC-id_118760983	290.324	BOGCTPSHYBTXKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051346
NCc1nnn(c1)CC(=O)NC(c1nnc2n1CCC2)C	PC-id_115459073	290.324	QUWMSYFNCSETSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051347
NCc1nnn(c1)CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_115459389	290.324	WSRFEHCHQKVJGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051348
O=C(N(Cc1n2CCCc2nn1)C)c1nnn(CCN)c1	PC-id_65944903	290.324	CFNBBJUQNHXZFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051349
O=C(NC(c1n2CCCc2nn1)C)c1nnn(CCN)c1	PC-id_65949393	290.324	KRHFOKIDNPOBLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051350
c12CN(Cc1nn(C(C)(C)C)c2CNC)CC(F)(F)F	MCULE-5751799150,EMOLS-id_324350306	290.328	XJOCKKJDCANMNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051351
c1(CN(C)C)n(C(C)C)nc2CN(CC(F)(F)F)Cc12	MCULE-4849275070,EMOLS-id_324351589	290.328	UEYRHCDOKGMZAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051352
CC(NC(c1nnc2n1CCC2)C)CCCC(F)(F)F	PC-id_116534515	290.328	DXCKDEZYXAZRCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051353
CCOC(=O)C1CCc2c1nc(s2)N(CC(F)F)C	PC-id_116319244	290.329	LHCLDEGKGOOWJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051354
s1c2CCCc2cc1CNc1c(F)cc(cc1F)C#N	PC-id_78988274	290.331	JONCTDBUEOUGNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051355
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)OCCF	EMOLS-id_330957808,MCULE-7315383404	290.333	LHETXSVXZSGEOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051356
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(O)c12	EMOLS-id_331004077,MCULE-3585616144	290.333	OXYVVALIJBBJEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051357
CCOc1ccc(Cn2nc3CCC(C)c3c2O)cc1F	MCULE-5150836225,EMOLS-id_331003821	290.333	UUSZXSHXVIPVHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051358
CCOc1ccc(Cn2nc3CCC(C)c3c2O)c(F)c1	MCULE-3090874469,EMOLS-id_331004333	290.333	NWBHAJFLJVMNTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051359
CCOc1ccc(Cn2nc(O)c3C(C)CCc23)cc1F	EMOLS-id_330957552,MCULE-1437852203	290.333	CJHNSGNYEDDMNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051360
CCOc1ccc(Cn2nc(O)c3C(C)CCc23)c(F)c1	EMOLS-id_330958064,MCULE-6722665482	290.333	ONAGIWWDJILEDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051361
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1O	MCULE-5652991671,EMOLS-id_331007143	290.333	JXFVBUZPUGRPCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051362
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1O	MCULE-9443958570,EMOLS-id_331008932	290.333	MHHKNWFPPAUBLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051363
COc1cccc(C(C)n2nc3CCC(C)c3c2O)c1F	MCULE-8664873859,EMOLS-id_331007655	290.333	CXKTVXZTOZPSGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051364
COc1cccc(Cn2nc3CCC(C)c3c2CO)c1F	MCULE-7876772360,EMOLS-id_330990514	290.333	QBXLCGGVRHBWKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051365
COc1ccc(C(C)n2nc3CCC(C)c3c2O)c(F)c1	MCULE-2499797284,EMOLS-id_331008676	290.333	UIFFEKKACVAJSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051366
COc1cccc(Cn2nc(CO)c3C(C)CCc23)c1F	EMOLS-id_331007735,MCULE-8673886836	290.333	UEHHPZDOKHOADZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051367
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1O	MCULE-2683728865,EMOLS-id_331008168	290.333	DLMHNDDWHYNFER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051368
COc1cccc(F)c1Cn1nc2CCC(C)c2c1CO	MCULE-6429699069,EMOLS-id_330989748	290.333	CKRYQSYAHNCREE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051369
COc1cccc(F)c1Cn1nc(CO)c2C(C)CCc12	MCULE-4293174702,EMOLS-id_331006969	290.333	IMJWCBZVZHYPGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051370
COc1ccc(Cn2nc3CCC(C)c3c2CO)cc1F	EMOLS-id_330992050,MCULE-7932966533	290.333	ZLMQANQIHXCYLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051371
COc1ccc(Cn2nc3CCC(C)c3c2CO)c(F)c1	EMOLS-id_330992306,MCULE-8291208949	290.333	HONSRRUSJIBMPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051372
COc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1F	EMOLS-id_331009271,MCULE-6500665225	290.333	DTSKEPWEOFSNRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051373
COc1ccc(Cn2nc(CO)c3C(C)CCc23)c(F)c1	MCULE-3889894580,EMOLS-id_331009527	290.333	OPRHLFCBDJPGLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051374
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1O	EMOLS-id_331007912,MCULE-4584441914	290.333	HKQGLPIPZRPDKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051375
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1CO	MCULE-4119902066,EMOLS-id_330993587	290.333	AXPJEWBGTLKYRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051376
COc1ccc(F)cc1Cn1nc(CO)c2C(C)CCc12	EMOLS-id_331006713,MCULE-1989619325	290.333	SDMBUPIBQDEKQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051377
COc1ccc(F)c(Cn2nc3CCC(C)c3c2CO)c1	EMOLS-id_330990258,MCULE-8946999691	290.333	RXTFKHCXFIXNIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051378
COc1ccc(F)c(Cn2nc(CO)c3C(C)CCc23)c1	EMOLS-id_331007479,MCULE-2987647058	290.333	HKKPPYXTAMMQRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051379
COc1cc(Cn2nc3CCC(C)c3c2CO)ccc1F	EMOLS-id_330990770,MCULE-1026733670	290.333	JUCKTVKXPSQEBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051380
COc1cc(Cn2nc(CO)c3C(C)CCc23)ccc1F	EMOLS-id_331007991,MCULE-3075389930	290.333	BCGZYCFHDQGSKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051381
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1O	EMOLS-id_331006118,MCULE-9292081005	290.333	KNKVBAPIIHMMKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051382
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1O	MCULE-5964161316,EMOLS-id_331007399	290.333	FOEXRFAMXWIITE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051383
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1CO	MCULE-1469265255,EMOLS-id_330990004	290.333	JHCHWDUZORYNSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051384
COc1cc(F)ccc1Cn1nc(CO)c2C(C)CCc12	MCULE-4215907239,EMOLS-id_331007225	290.333	XXALDPGDAVNSID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051385
COc1cc(F)cc(Cn2nc3CCC(C)c3c2CO)c1	MCULE-9013593088,EMOLS-id_330991026	290.333	NYTWVGGDWVQFSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051386
COc1cc(F)cc(Cn2nc(CO)c3C(C)CCc23)c1	EMOLS-id_331008247,MCULE-2642293648	290.333	MATFTZBKQJJFMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051387
COc1c(F)cccc1Cn1nc2CCC(C)c2c1CO	MCULE-5278399098,EMOLS-id_330990260	290.333	QDZLGKRNHARXQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051388
COc1c(F)cccc1Cn1nc(CO)c2C(C)CCc12	EMOLS-id_331007481,MCULE-2275459716	290.333	SHASAGQCMHSKGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051389
S1(=O)(=O)C(c2c(C1)coc2C(=O)C)Cc1ccccc1	PC-id_10039854	290.334	SLNRABUFWLXZOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051390
S1(=O)(=O)C(c2c(C1)c(oc2)C(=O)C)Cc1ccccc1	PC-id_10266229	290.334	CVYBVLDLCIDGNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051391
CC1CC(c2n1ncn2)NCC(c1ccc(cc1)F)(O)C	EMOLS-id_279084216	290.336	LRMQDEKFLMBYEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051392
CC(NC1CC(n2c1ncn2)C)COc1cccc(c1)F	EMOLS-id_258181848,MCULE-1733321265	290.336	WKNHKZWUYWIGIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051393
CC(Oc1cccc(c1)F)CNC1CC(n2c1ncn2)C	EMOLS-id_258182493,MCULE-2796317186	290.336	BGANHPQRDWJSGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051394
CC(Oc1ccccc1F)CNC1CC(n2c1ncn2)C	EMOLS-id_319370513	290.336	VLEMIWHJYHFAPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051395
CC(Oc1ccc(cc1)F)CNC1CC(n2c1ncn2)C	MCULE-3462923568,EMOLS-id_320121840	290.336	VSYNEMBELVLHGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051396
CC(Oc1cc(F)ccc1NC1CC(n2c1ncn2)C)C	EMOLS-id_318746322,MCULE-8234929414	290.336	KWLCLWNAUGKBSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051397
COc1ccc(cc1C(NC1CC(n2c1ncn2)C)C)F	EMOLS-id_318723323,MCULE-5119116035	290.336	WWOYKMWQTMVXSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051398
COCc1cc(CNC2CC(n3c2ncn3)C)ccc1F	EMOLS-id_279083184	290.336	YSROUYAVYDBTNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051399
Fc1cc(CNC(c2n3CCCc3nn2)C)ccc1OC	PC-id_60756399	290.336	RLZCAUABCBTTDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051400
Fc1cc(C(NC(c2n3CCCc3nn2)C)C)c(O)cc1	PC-id_80044504	290.336	DQOTZADAUXTRPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051401
Fc1cc(O)c(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_63066950	290.336	WANIIIBLNBKOSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051402
Oc1ccc(c(c1)F)C(NC(c1nnc2n1CCC2)C)C	PC-id_107714906	290.336	OOPRGDIIESNGEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051403
OCC(Cc1ccc(cc1)F)NC1CC(n2c1ncn2)C	EMOLS-id_320268215,MCULE-2206045717	290.336	SKQVNJKYCBFRPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051404
C1Cc2coc(c2C1)C(=O)N1CC(C1)Oc1nccs1	PC-id_136565268	290.338	KMNSIPOLIQYZGI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051405
C1(C(=O)OC)(C(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_328170832,MCULE-6504799753	290.338	ISVNXQBXWNZJIO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-051406
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590258,PC-id_7474993,BindingDB-id_133572,ZINC22_5055693,EMOLS-id_13439867,ChEMBL-DNDi_CHEMBL1307967,ChEMBL-DNDi_CHEMBLF1830-0035,MCULE-9072132321,BindingDB_PC-id_7474993,CHEMBL1307967	290.338	OGZLDSPMKQUJST-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-051407
c1(NC(=O)c2ccoc2C)sc2c(CCC2)c1C(=O)N	PC-id_1246741,TIMTEC225203,MCULE-8966747779,ZINC22_1055440,CoCoCo_542648,EMOLS-id_2042916	290.338	ITAIFMMMEUELAT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-051408
c1(NC(=O)C=CC(=O)OCC)sc2c(CCC2)c1C#N	MCULE-2239717951,PC-id_2881945	290.338	JFGIUJFMSXADQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051409
CC1c2c(ccn2S(=O)(=O)c2ccc(cc2)C)C(=O)N1	SCHEMBL15230723,PC-id_89783559	290.338	OJJFUDXSOTTXDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051410
Cc1[nH]c(c(c1)NC(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_116172491	290.338	WVSQNJAOIGMFQO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-051411
C[C@H]1NC(=O)c2ccn(c12)S(=O)(=O)c1ccc(C)cc1	SCHEMBL15230721,MCULE-4061818548,EMOLS-id_320376497	290.338	OJJFUDXSOTTXDB-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051412
CC(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	CHEMBL1822124,PC-id_56658301	290.338	UMEIWHXVOIFVIG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-051413
CCOC(=O)/C=C/C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_139095,ChEMBL-DNDi_CHEMBL4478-3513,BAS-00836260,SPECS-id_AT-084/J158856,ZINC22_4187739,SPECS-id_AN-153/I123236,EMOLS-id_25805573,TIMTEC235989,PC-id_5346855	290.338	JFGIUJFMSXADQD-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051414
CCOC(=O)/C=CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_139096	290.338	JFGIUJFMSXADQD-SREVYHEPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051415
COc1ccc(cc1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287423	290.338	QCCZLNUWMSTIBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051416
COc1ccccc1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287497	290.338	RLGKZNMTEKORIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051417
COc1cccc(c1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287649	290.338	AIZRRLURWHXRIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051418
COc1ccc(cn1)Cc1nc2c(s1)CCC2C(=O)O	PC-id_104287305	290.338	FJOIZASEMUXPQP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051419
COc1cnc(c(n1)OC)C(=O)c1sc2c(c1)CCC2	PC-id_115796275	290.338	WHOSOKJTWQFEIN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051420
N#C/C(=C(N)/C)/C(=O)COC(=O)c1sc2c(c1)CCC2	CoCoCo_2840787,PC-id_6211920	290.338	WPDSLHYORAMMGS-CSKARUKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051421
N#C/C(=C(/N)C)/C(=O)COC(=O)c1sc2c(c1)CCC2	CoCoCo_2840788,PC-id_98574153	290.338	WPDSLHYORAMMGS-NTMALXAHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051422
N#CC(=C(N)C)C(=O)COC(=O)c1sc2c(c1)CCC2	EMOLS-id_26032402,MCULE-6872967151,PC-id_4779616	290.338	WPDSLHYORAMMGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051423
O=C(c1sc2c(c1)CCC2)NNC(=O)c1ccoc1C	MCULE-3151764050,PC-id_9326442,EMOLS-id_24109560,CoCoCo_3637663	290.338	UGFPJWAOQQVZQV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-051424
O=C(OCc1nnc(C2CC2)o1)c1cc2c(s1)CCC2	PC-id_48081109,ZINC22_63499044,MCULE-1251257194,EMOLS-id_44502336	290.338	KKPULDLFSGTJMZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-051425
s1c2CCCc2cc1C(=O)c1c(=O)n(c(=O)n(c1)C)C	PC-id_43463164	290.338	PLZOSESBJPRBEV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051426
s1c2CCCc2cc1C(=O)Nc1c(c([nH]c1)C)C(=O)O	PC-id_82881324	290.338	SOGHFPUNGRNJKW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-051427
s1c2CCCc2cc1C(=O)NNC(=O)c1oc(cc1)C	PC-id_27684174	290.338	ZORLHVANDLHBNK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-051428
s1c2CCCc2cc1C(=O)NNC(=O)c1occc1C	PC-id_27684783	290.338	SURBJZCQKOPIID-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-051429
s1c2CCCc2cc1C(=O)OCC(=O)C(C(=C)N)C#N	PC-id_78280764	290.338	NVNFCGCGKTYUHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051430
s1c2CCCc2cc1C(=O)OCC(=O)C(C(=N)C)C#N	PC-id_7246710	290.338	XFWDLBLIHLMEPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051431
s1c2CCCc2cc1C(=O)OCC(=O)[C@@H](C(=C)N)C#N	PC-id_2550788	290.338	NVNFCGCGKTYUHK-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051432
s1c2CCCc2c(c1NC(=O)/C(=C(/C)C(=O)O)/C)C#N	PC-id_63266572	290.338	QHRQKTFSODTWJT-FPLPWBNLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051433
s1c2CCCc2c(c1NC(=O)C(=C(C)C(=O)O)C)C#N	PC-id_76991308	290.338	QHRQKTFSODTWJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051434
s1c2CCCc2c(c1NC(=O)COC(=O)C1CC1)C#N	PC-id_7863359	290.338	NGAHJBMMYBLCSH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-051435
s1c2CCCc2c(c1NC(=O)COC(=O)C=CC)C#N	PC-id_78587930	290.338	LQZVBQGUGFWITJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051436
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/C)C#N	PC-id_7981092	290.338	LQZVBQGUGFWITJ-DUXPYHPUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051437
s1c2CCCc2nc1NC(=O)c1cc(O)c(OC)cc1	PC-id_79673338	290.338	VMHFBLMFQBZGBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051438
s1c2CCCc2nc1NC(=O)c1c(O)ccc(OC)c1	PC-id_60716044	290.338	VYZSCKLRCAYYCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051439
s1c2CCCc2nc1NC(=O)c1c(O)cc(OC)cc1	PC-id_60716023	290.338	SLZCMNJAIOXLRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051440
s1c2CCCc2nc1NC(=O)c1c(O)c(OC)ccc1	PC-id_60716021	290.338	QASCERAJMFJUIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051441
S1Cc2c(noc2NC(=O)Cc2ccc(OC)cc2)C1	PC-id_49720088	290.338	KVONMNXRMBSMCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051444
S1Cc2c(noc2NC(=O)Cc2cc(OC)ccc2)C1	PC-id_49719102	290.338	BLBGMWDGSDHWIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051445
S1Cc2c(noc2NC(=O)[C@@H](Oc2ccccc2)C)C1	PC-id_51896514	290.338	KMQQWMDQXUUKKP-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-051446
S1Cc2c(noc2NC(=O)[C@H](Oc2ccccc2)C)C1	PC-id_51896515	290.338	KMQQWMDQXUUKKP-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051447
S1Cc2c(noc2NC(=O)C(Oc2ccccc2)C)C1	PC-id_45505271	290.338	KMQQWMDQXUUKKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051448
S1Cc2c(noc2NC(=O)COc2c(cccc2)C)C1	PC-id_45505272	290.338	SJWPPCLTIJEHKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051449
S1Cc2c(noc2NC(=O)COc2cc(ccc2)C)C1	PC-id_49719070	290.338	KJWORLNIQWVKEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051450
S1Cc2c(noc2NC(=O)COc2ccc(cc2)C)C1	PC-id_49719071	290.338	DIKBGMSCVCSDBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051451
c1(C(=O)N)c2CCCc2sc1NC(=O)c1cnn(C)c1	ZINC22_2770974,PC-id_4767998,MCULE-1922840624,EMOLS-id_3985211	290.341	VPVXERANJUYFQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051452
c1(C(=O)Nc2sc(c(C)n2)C(=O)C)c2CCCc2[nH]n1	MCULE-4216689096,EMOLS-id_323258040	290.341	XDDWKDMQHFUOHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051453
c1(NC(=O)c2ccc(=O)n(C)c2)n(C)nc2CSCc12	ZINC22_1529172295,PC-id_134709353,MCULE-3711427661,EMOLS-id_316175613	290.341	CTKLFRBAUGORIA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051454
c1(NC(=O)c2ccn(C)n2)sc2c(CCC2)c1C(=O)N	MCULE-6231089383,PC-id_4768943,CoCoCo_5260749,ZINC22_2776832,CHEMBL4517042,EMOLS-id_3985213	290.341	LGXCMZITEPMZRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051455
c1(NC(=O)c2nccc(OC)c2)n(C)nc2CSCc12	PC-id_134709241,MCULE-5335864032,ZINC22_1529172840,EMOLS-id_316178418	290.341	JFNXCGZPWMFPKJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051456
c1(NC(=O)Cc2ccc(cc2)OC)nnc2SCCn12	CoCoCo_2590525,EMOLS-id_16349467,ZINC22_8600596,MCULE-8007870652,PC-id_16031410	290.341	GERXNSICWKZXDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051457
c1(NC(=O)COc2ccc(cc2)C)nnc2SCCn12	CoCoCo_2590519,PC-id_22582967,ChEMBL-DNDi_CHEMBLF2079-0102,EMOLS-id_16349455,MCULE-2878313776	290.341	KIARIIHEJNUSDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051458
c1(nnc2SCCn12)NC(=O)c1ccc(cc1)OCC	CoCoCo_2590482,EMOLS-id_16349381,PC-id_22582945,MCULE-1807244749,ChEMBL-DNDi_CHEMBLF2079-0042	290.341	HXEANUQHPUNVFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051459
c1(nnc2SCCn12)NC(=O)c1ccccc1OCC	PC-id_22582944,CoCoCo_2590481,EMOLS-id_16349379,ChEMBL-DNDi_CHEMBLF2079-0041,MCULE-6457370868	290.341	SRBLXAFJNNYFNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051460
c1(nnc2SCCn12)NC(=O)C(C)Oc1ccccc1	PC-id_16031396,EMOLS-id_16349439,MCULE-5189040336	290.341	YXOLIANZMKVJHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051461
Cc1ccc(s1)C(=O)NCC(=O)N1CCn2c1ncc2	EMOLS-id_319454557	290.341	RUKYZUJMUPKMIW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051462
Cc1c(c(=O)[nH][nH]1)/C=N/c1c(c2c(s1)CCC2)C(=O)N	PC-id_135608238	290.341	LDKGXIJGWDMUAL-PJQLUOCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051463
Cc1nn2c(c1)C(=O)N(C2(C)C)NC(=O)c1cccs1	PC-id_70834307,SCHEMBL13077825	290.341	SYRRBVCYFUOHIN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051464
Cc1n[nH]c(=O)c(c1C)C(=O)Nc1sc2c(n1)CCC2	PC-id_75414699,EMOLS-id_48213487	290.341	VUQBAIPTSNOUDQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051465
CCc1ccsc1C(=O)N1Cc2c(C1C(=O)N)c[nH]n2	EMOLS-id_317044556,MCULE-3153531875	290.341	QLGGYKFWYIBQIU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051466
CCc1ccsc1C(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N	ZINC22_1775999136	290.341	QLGGYKFWYIBQIU-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-051467
CCc1ccsc1C(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N	ZINC22_1775999137	290.341	QLGGYKFWYIBQIU-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051468
CCC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1cccs1	SCHEMBL13382934,PC-id_11208523	290.341	ATYZVLPPTLMSSV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051469
CCOC(=O)C1CCc2c1nc(s2)Nc1cncnc1	PC-id_107590438	290.341	RKYLOGQTRINBBY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051470
CCOC(=O)C1CCc2c1nc(s2)N(CC#N)CC#N	PC-id_104287753	290.341	ZQCNXQIFMNPHCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051471
COc1ccnc(NNC(=O)c2cc3c(s2)CCC3)n1	ZINC22_83984398,MCULE-6635569079,EMOLS-id_44527276,PC-id_71897313	290.341	HKENZPSSZJPCKV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051472
COC(=O)c1ccc(c(n1)Nc1sc2c(n1)CCC2)N	PC-id_114405927	290.341	XHBGPXIUKCPWHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051473
COC(=O)c1cc(ncc1N)Nc1sc2c(n1)CCC2	PC-id_105620723	290.341	SXZYLPHPVOCZGT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051474
COC(=O)c1cc(N)cnc1Nc1sc2c(n1)CCC2	PC-id_108161483	290.341	YYXAMYNBAJMOKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051475
n1c2CCCc2sc1CCNC(=O)c1cnc(cn1)O	EMOLS-id_55664317,ZINC22_222255842,MCULE-6901112543,PC-id_91781550	290.341	QYJDNLPMUVJVQZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051476
N#Cc1c(NC(=O)C2NCC(=O)NC2)sc2c1CCC2	PC-id_107435889	290.341	KSGLSWNCXNQPCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051477
NC(=O)c1c(sc2c1CCC2)NC(=O)c1ccnn1C	PC-id_25835692,CoCoCo_5259526	290.341	ISEZNXUNRMGVKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051478
NS(=O)(=O)c1ccc(cc1)NN=C1CCn2c1ccc2	PC-id_71899703,MCULE-6849843147,EMOLS-id_44522100	290.341	VPIZDZVDDOHYSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051479
NS(=O)(=O)c1ccc(N/N=C/CCn3cccc23)cc1	PC-id_75362239,ZINC22_55349476	290.341	VPIZDZVDDOHYSV-VBKFSLOCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051480
O=C(c1ccc(s1)C(=O)C)NCc1nnc2n1CCC2	EMOLS-id_257873286,MCULE-7931245669	290.341	KJVDDZGJXWENJV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051481
O=C(c1sc2c(c1)CCC2)NNC(=O)c1ccnn1C	PC-id_53539469,EMOLS-id_35751239,MCULE-8207170760	290.341	AZZPVEYTFYMJDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051482
O=C([C@@H](Oc1ccccc1)C)Nc1nnc2n1CCS2	CoCoCo_2590511	290.341	YXOLIANZMKVJHK-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-051483
O=C([C@H](Oc1ccccc1)C)Nc1nnc2n1CCS2	CoCoCo_2590512	290.341	YXOLIANZMKVJHK-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051484
O=C(N1Cc2c(C1)c(nn2S)N)OCc1ccccc1	PC-id_144155905	290.341	UALAEQPGZMBVRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051485
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)Cc1cccs1	SCHEMBL2922709,PC-id_68442098	290.341	JTNQQHXAEIRWLO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051486
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)Cc1cscc1	PC-id_68439687,SCHEMBL2915643	290.341	AJNHKIVPRDXLQW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051487
O=C(Nc1nnc2n1CCS2)COc1ccccc1C	PC-id_22582965,CoCoCo_2590517	290.341	YHRHUTZFVDSLBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051488
O=C(Nc1nnc2n1CCS2)COc1cccc(c1)C	PC-id_22582966,CoCoCo_2590518	290.341	GNXJIXHYQNPHIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051489
OC(=O)C1CCc2c1nc(s2)NCc1ccnc(n1)C	PC-id_104288133	290.341	PPNJLXRNERGIBH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051490
OC(=O)C1CCc2c1nc(s2)NCc1cnc(cn1)C	PC-id_104288612	290.341	WOVXMIJUZWQCOD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051491
OC(=O)c1cccc(n1)NCCc1nc2n(c1)CCS2	EMOLS-id_72817643,MCULE-5884393163,PC-id_122056125	290.341	PDURIPXJXQLIGB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051492
s1c2CCCc2cc1CNc1nc(N)c([N+](=O)[O-])cc1	PC-id_79825878	290.341	ROMQRUKPYDPNRB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-051493
s1c2CCCc2cc1C(=O)NNC(=O)c1cn(nc1)C	PC-id_27684746	290.341	UZUQJYJDHSCDPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051494
s1c2c(CCC2)c(c1N/C=c
/c(=C)[nH][nH]c1=O)C(=O)N	PC-id_2034297	290.341	IRKTTXMYIMVFAB-YVMONPNESA-N	00000010100000000001000010000000000000000000000000000000	25-01-051495
s1c2c(CCC2)c(c1NC=c1c(=C)[nH][nH]c1=O)C(=O)N	PC-id_53455504	290.341	IRKTTXMYIMVFAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051496
s1c2c(CCC2)c(c1NC=C1C(=NNC1=O)C)C(=O)N	PC-id_6838718	290.341	SEFHOHZEYUIDGB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-051497
s1c2CCCc2nc1Nc1nccc(c1N)C(=O)OC	PC-id_65698591	290.341	MWPHMHYOHXZDEL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051498
s1c2CCCc2nc1NC(=O)Cn1cc(N)ccc1=O	PC-id_62816537	290.341	FZTWFLFVNNBJJL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051499
CSc1ncc(cn1)C(=O)NCc1nnc2CCCn12	PC-id_91774503,CHEMBL4583114,ZINC22_219904487,EMOLS-id_55643822,MCULE-5503610231	290.344	GCUYSEHVTDFXGT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051500
s1c2CCCc2nc1NC(=O)c1nnn(C2CNC2)c1	PC-id_79318497	290.344	QHIDJRJWMSMUCA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-051501
COc1ccc(cc1F)CC(=O)c1sc2c(c1)CCC2	PC-id_114966217	290.353	HBTZTHPIAUTBIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051502
COc1cccc(c1F)CC(=O)c1sc2c(c1)CCC2	PC-id_115800286	290.353	YVJJKIMPUJYLHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051503
c1(NC(=O)Cc2ccc(c(C)c2)F)sc2c(CCC2)n1	MCULE-6608166789,EMOLS-id_334663632	290.356	RCAMEPZUUIYAQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051504
COCCOCCC1C(=O)c2c(S1(=O)=O)scc2	PC-id_21735866,SCHEMBL9651693	290.356	WIYIWEWQFXCXDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051505
O=C(c1sc2c(c1)CCC2)NCc1nccc(c1F)C	EMOLS-id_319037176	290.356	UOBRQYGRPAOOHB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-051506
s1c2CCCc2cc1CNC(=O)c1cc(F)c(N)cc1	PC-id_62680975	290.356	UNTBTYOWJNGEIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051507
s1c2CCCc2cc1CNC(=O)c1cc(N)ccc1F	PC-id_61208926	290.356	HFELQWNQNYAJPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051508
s1c2CCCc2cc1CNC(=O)c1cc(N)cc(F)c1	PC-id_81550261	290.356	UBLNRNWGXMOGCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051509
s1c2CCCc2cc1CNC(=O)c1cc(N)c(F)cc1	PC-id_61208733	290.356	NWOMPKZVKROAFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051510
s1c2CCCc2cc1CNC(=O)c1c(F)cc(N)cc1	PC-id_61703801	290.356	AIQAVYJJKWPGOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051511
s1c2CCCc2cc1CNC(=O)c1c(N)ccc(F)c1	PC-id_61209311	290.356	WTJDLPMATCHQCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051512
s1c2CCCc2cc1CNC(=O)c1c(N)cc(F)cc1	PC-id_63110000	290.356	VPOGYLRVGBVYPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051513
s1c2CCCc2cc1CNC(=O)c1c(N)c(F)ccc1	PC-id_81507363	290.356	FDHJNADICYHQOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051514
s1c2c(CCC2)c(c1N)C(=O)NCc1ccc(F)cc1	PC-id_20109779	290.356	ZSHZRBJOGDWDFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051515
s1c2c(CCC2)c(c1N)C(=O)NCc1c(F)cccc1	PC-id_20109778	290.356	MREVZHCAQAPUHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051516
s1c2CCCc2nc1NC(=O)CCc1ccc(F)cc1	PC-id_33040093	290.356	SRSWBRKKXGOJGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051517
s1c2CCCc2nc1NC(=O)CCc1c(F)cccc1	PC-id_33039970	290.356	IKDLJENYXYGXIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051518
CC1CCC(C(N1C(=O)c1occ2c1CCC2)C)C(=O)N	EMOLS-id_319131045	290.357	YWIREJXSFAXKBP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-051519
C[C@H](CNC(=O)c1occ2c1CCC2)N1CCCCC1=O	ZINC22_585081952	290.357	IVOFZYKNRDYGTO-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-051520
C[C@@H](CNC(=O)c1occ2c1CCC2)N1CCCCC1=O	ZINC22_585081953	290.357	IVOFZYKNRDYGTO-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-051521
CC(N1CCCCC1=O)CNC(=O)c1occ2c1CCC2	MCULE-3071819191,EMOLS-id_177227560	290.357	IVOFZYKNRDYGTO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-051522
CN1CCCCC(C1=O)N(C(=O)c1occ2c1CCC2)C	EMOLS-id_318019575	290.357	JWYBZRWLJDSJJY-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-051523
CN1C(C)C(C)N(C(C1=O)C)C(=O)c1occ2c1CCC2	EMOLS-id_257977394,MCULE-3399543724	290.357	WVITZQPUALMVAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051524
O=C(c1occ2c1CCC2)N1CC(C1)(C)N1CCOCC1	MCULE-7412774493,EMOLS-id_320254512	290.357	WYRNIXYKLDFDCU-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-051525
CCCS(=O)(=O)N1Cc2c(C1)cc(s2)C(=O)NO	SCHEMBL1174299,PC-id_87208727	290.359	NFJMEGSBPPVNOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051526
CCNS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114805414	290.359	KSJOGMUDVZYNNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051527
CCOC(=O)C1CCc2c1nc(s2)CS(=O)(=O)N	PC-id_104287197	290.359	GZFTWOWPEYSFSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051528
CCOC(=O)c1c(sc2c1CCC2)NS(=O)(=O)N	PC-id_112573403	290.359	KTVJRUFTLXIWCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051529
O=Cc1cc2c([nH]1)CCC2Cc1cccc(c1)c1ccc[nH]1	PC-id_144126406	290.359	BBZBTSXDNKZLBJ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-051530
OC(=O)C1CCc2c1nc(s2)NCCS(=O)(=O)C	PC-id_104288052,EMOLS-id_261761694	290.359	WZFMEOZEDHTPGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051531
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)N(C)C	EMOLS-id_314584643,PC-id_43328052	290.359	KSXAKTUOYPAPFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051532
OC(=O)CCCS(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315220155,PC-id_54962792	290.359	RHXCETNAUOBLNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051533
c12CN(Cc1nn(CC(C)C)c2C#N)C(=O)OC(C)(C)C	PC-id_105526260,MCULE-5036438697,EMOLS-id_324354154	290.361	WYFVGATVRJUULS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051534
c1(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c2CCCc2n[nH]1	ZINC22_426430741,PC-id_119062375,MCULE-6995482079,EMOLS-id_82710057	290.361	NLNQQSZWRNEWGK-STQMWFEESA-N	00000010100000000001100010000000000000000000000000000000	25-01-051535
Cc1c2n(CCO2)nc1C(=O)NC1CCN(CC1)CC=C	PC-id_91959937	290.361	IOQJBYYJDWTTOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051536
CC1CC(C1)C(=O)N1Cc2c(nn(C)c2C1)C(=O)N(C)C	EMOLS-id_313745618,ZINC22_1565551527	290.361	OOXFWELGJFABOA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051537
CCC1(CC)CC(=O)N(C(=O)C1)Cc1nnc2n1CCC2	EMOLS-id_319123061	290.361	JBPBUBXCGXSWHQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051538
CCC1(CC)CNC(=O)C1NC(=O)c1n[nH]c2c1CCC2	PC-id_136566580,MCULE-6976653805,EMOLS-id_316934350	290.361	XASQFAKKSLLOII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051539
CCC1(CC)CNC(=O)[C@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_886721369	290.361	XASQFAKKSLLOII-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051540
CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_886721370	290.361	XASQFAKKSLLOII-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051541
CCCCc1c(CCC)cc2n1C(=C(C2=NO)C(=O)N)N	PC-id_102397816	290.361	FIMQTEACSRONCV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-051542
CC(=CC(=O)N1Cc2c(C1)cnn2C)CN1CCOCC1	EMOLS-id_278848753	290.361	PPPUTXVEJDLQED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051543
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101432580	290.361	XMPDJDYOGCCYDL-KPFVRQRISA-N	00000010100010000001000010000000000000000000000000000000	25-01-051544
CC[C@H](C(=O)Nc1c2c(nn1C)CCC2)N1CCCC1=O	ZINC22_333145251	290.361	LREUVGYRQLYVHB-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051545
CC[C@@H](C(=O)Nc1c2c(nn1C)CCC2)N1CCCC1=O	ZINC22_333145252	290.361	LREUVGYRQLYVHB-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051546
CCC(N1CCCC1=O)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_101767168,MCULE-7312349849	290.361	LREUVGYRQLYVHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051547
CCCN1CC(CC1=O)C(=O)NCc1n[nH]c2c1CCC2	MCULE-1176176496,EMOLS-id_319963677	290.361	HIXNDIAKXWUPKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051548
CCC(=O)N1CCC(C1)C(=O)NCc1cnc2n1CCC2	MCULE-6193482748,EMOLS-id_320147235	290.361	FICGSZRRQXZBNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051549
CCC(=O)N1CCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318913701	290.361	FBRABPMUTJZWQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051550
C[C@H](CNC(=O)c1cnn2c1CCC2)N1CCCCC1=O	ZINC22_579674529	290.361	XBFKJAJJQPPBQG-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051551
C[C@@H](CNC(=O)c1cnn2c1CCC2)N1CCCCC1=O	ZINC22_579674530	290.361	XBFKJAJJQPPBQG-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-051552
CC(N1CCCCC1=O)CNC(=O)c1cnn2c1CCC2	EMOLS-id_316885350,MCULE-3530505576	290.361	XBFKJAJJQPPBQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051553
CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(C)CCC1	SCHEMBL19311921	290.361	QWTSCZGGAXMUER-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051554
CC(=O)N1CCC(C1)(C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319855037,MCULE-4348841708	290.361	UKBFIPDNAJFUPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051555
CC(=O)N1CCCC(C1)CNC(=O)c1cn2c(n1)CCC2	MCULE-2569832404,EMOLS-id_316907942	290.361	GPOJMFWGWMSVCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051556
CC(=O)N1CCC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1	ZINC22_564570496	290.361	GPOJMFWGWMSVCG-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051557
CC(=O)N1CCC[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1	ZINC22_564570500	290.361	GPOJMFWGWMSVCG-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051558
CC(=O)N1CCC[C@H](C(=O)Nc2c3c(nn2C)CCC3)C1	PC-id_97315054,ZINC22_95956356	290.361	LEOKSGPGRQJHNL-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-051559
CC(=O)N1CCC[C@@H](C(=O)Nc2c3c(nn2C)CCC3)C1	ZINC22_95956357,PC-id_97315055	290.361	LEOKSGPGRQJHNL-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051560
CC(=O)N1CCN(C(C1)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102341728	290.361	KIUWAYBHDDOPQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051561
CC(=O)NCC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110572938	290.361	ZFMOOUKXCWXGHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051562
CC(=O)NCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110375986	290.361	FWYBDEWSVZYTGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051563
CC(=O)N(C)Cc1nn(C)c2c1CN(C(=O)CC1CC1)C2	ZINC22_96259092,EMOLS-id_44369734,PC-id_97519182	290.361	YFZRANOHYGPAIG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051564
CN1CCCCC(C1=O)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318111412	290.361	BGKZNESENBDEBB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051565
CN1CCCCC(C1=O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320158233,MCULE-6297273370	290.361	FUMLYPDABZDBON-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051566
CN1CCCCC(C1=O)N(C(=O)c1cnn2c1CCC2)C	EMOLS-id_316615331	290.361	GBCZQWYXKAYHDF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051567
CN1CCCCC(C1=O)N(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_316638858	290.361	BMGMZTTYWUBDCF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051568
CN1C(C)C(C)N(C(C1=O)C)C(=O)c1cnc2n1CCC2	MCULE-2755792284,EMOLS-id_320324712	290.361	NQPNXYXCDJLVTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051569
CN1C(C)C(C)N(C(C1=O)C)C(=O)c1cnn2c1CCC2	MCULE-3218435227,EMOLS-id_258121305	290.361	FXHWPFNYANPJST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051570
CN1C(C)C(C)N(C(C1=O)C)C(=O)c1nc2n(c1)CCC2	EMOLS-id_320269603,MCULE-2808971961	290.361	GIIRPDBOTKVIQT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051571
CNC(=O)CC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111337364	290.361	ZAFOYEGZSXKZPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051572
n1c(CNC(=O)CN2CCCCCC2=O)c2c(CCC2)[nH]1	ZINC22_299761288,EMOLS-id_68886171,MCULE-5256603254,PC-id_118768330	290.361	UQUSNSXQXSEISM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051573
N#Cc1c2CN(Cc2nn1C(C)(C)C)C(=O)OC(C)(C)C	PC-id_105526259	290.361	LQPSDBOVCAZFAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051574
N#Cc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(C)(C)C	PC-id_105526254	290.361	VHKYZGVPPIKKBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051575
N#Cc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)CC(C)C	PC-id_105526255	290.361	FUSWHSRKERMWMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051576
NC(=O)CC1(NC(=O)c2cnc3n2CCC3)CCCCC1	MCULE-3823373822,ZINC22_891319789,EMOLS-id_316942547,PC-id_136568055	290.361	UULMLODJXRUKLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051577
O=C(C1(CC1)N1CCOCC1)NCc1n[nH]c2c1CCC2	MCULE-6751832768,EMOLS-id_320050517	290.361	XMNFLOKMUYYIET-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-051578
O=C(C1CCCC(C1)C(=O)N)Nc1n(C)nc2c1CCC2	EMOLS-id_99890288	290.361	FOKMSNZGKPIJHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051579
O=C(C1CCCC(C1)C(=O)N)NCc1cnc2n1CCC2	MCULE-8039672255,EMOLS-id_320232244	290.361	VUZKWRRVMPGWAO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051580
O=C(C1CCCN(C1)C(=O)C)Nc1n(C)nc2c1CCC2	PC-id_75462395,EMOLS-id_48341672,MCULE-6369098352	290.361	LEOKSGPGRQJHNL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051581
O=C(C1CCCN(C1)C(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318921078	290.361	NCADQKODDTZBSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051582
O=C(c1cn2c(n1)CCC2)N1CC(C1)NC1CCOCC1	MCULE-7427996174,EMOLS-id_319982274	290.361	GQTHFUKVGXKPDQ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-051583
O=C(C1CN(C1)C1CCOCC1)NC1CCn2c1ncc2	EMOLS-id_316722768	290.361	JYFCWPFVGUCZJL-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-051584
O=C(C1CN(C1)C1COCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_278282452	290.361	TUWODJFSWFEQFD-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-051585
O=C(C1CN(C1)C1COCC1)NCc1cnc2n1CCC2	EMOLS-id_319652272	290.361	QPFHCXQPZCDSLS-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-051586
O=C(c1cnc2n1CCC2)N1CC(C1)(C)N1CCOCC1	EMOLS-id_319314561	290.361	YHBNUNYAVDULRJ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-051587
O=C(c1cnn2c1CCC2)N1CC(C1)NC1CCOCC1	MCULE-2120229400,EMOLS-id_320178134	290.361	JHLPMZOHKZPODC-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-051588
O=C(C1NCc2c1c[nH]n2)N1CCC(C1)C1CCOCC1	EMOLS-id_318892885	290.361	NGBCDCQQWLJGSM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-051589
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)C1CCCO1	EMOLS-id_320331565,MCULE-9640347095	290.361	DJURUHUYVZLQRJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-051590
O=C(c1n(C)nc2c1CCC2)N1CC(C1)NC1COCC1	EMOLS-id_319709106	290.361	HIQWDFUHWNOFHL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051591
O=C(c1nn2c(c1)CCC2)N1CC(C1)(C)N1CCOCC1	EMOLS-id_319639269	290.361	FTQWQKOGDGWIQM-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-051592
O=C(c1nn2c(c1)CCC2)N1CC(C1)NC1CCOCC1	EMOLS-id_318807998	290.361	PKDAXORDPPGEFS-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-051593
O=C(c1nn(c2c1CN(C2)CC1CC1)C)N1CCOCC1	PC-id_97389066	290.361	VROODFZIFVWLIZ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-051594
O=C(c1n[nH]c2c1CCC2)N1CC(C1)NC1CCOCC1	EMOLS-id_319877853,MCULE-7659712994	290.361	JFZFDXPDRKXVFS-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-051595
O=C(CC1CCCCC1)NCC(=O)N1CCn2c1ncc2	EMOLS-id_316584384,MCULE-9193905971	290.361	PSTINKLTHFLKPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051596
O=C(CC(N1CCCC1=O)C)NCc1cnc2n1CCC2	EMOLS-id_319495964	290.361	UGJWFZZUGXGBGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051597
O=C([C@H]1CCCN1C1CCOCC1)N1CCn2nccc12	ZINC22_367497040	290.361	JJQZASLOKBFRHT-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-051598
O=C([C@@H]1CCCN1C1CCOCC1)N1CCn2nccc12	ZINC22_367497041	290.361	JJQZASLOKBFRHT-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-051599
O=C([C@@H]1CCC(=O)N1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318953756	290.361	DDAQUVMYQZBZNC-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051600
O=C([C@@H]1CCC(=O)N1C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319991301,MCULE-9676010305	290.361	YMGVWOPHHRXQID-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051601
O=C(N1Cc2c(C1)cnn2C)C1CN(C1)C1CCOCC1	EMOLS-id_316506567	290.361	IHWIXXOAQNYKLA-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-051602
O=C(N1CCC(CC1)C(=O)N(C)C)c1n[nH]c2c1CCC2	PC-id_78880715	290.361	RXOJUZGRRYNYBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051603
O=C(N1CCn2c1ccn2)C1CCCN1C1CCOCC1	EMOLS-id_316036031,MCULE-4971698468	290.361	JJQZASLOKBFRHT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-051604
O=C(N1CCOCC1C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101577039	290.361	UQDILPHFARHXPI-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-051605
c1ccc(C[C@H]2Cc3nnc(Cc4cccnc4)n3C2)cc1	ZINC22_1775983012	290.362	GNMNWIFZAZZVNQ-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-051606
c1ccc(C[C@@H]2Cc3nnc(Cc4cccnc4)n3C2)cc1	ZINC22_1775983018	290.362	GNMNWIFZAZZVNQ-MRXNPFEDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-051607
C(C1Cc2nnc(Cc3cccnc3)n2C1)c1ccccc1	PC-id_138810414,MCULE-9426552444,EMOLS-id_317885921	290.362	GNMNWIFZAZZVNQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-051608
COc1c(CN[C@@H](C)c2nnc3n2CCC3)c(C)nn1C	PC-id_94815282,ZINC22_58308835	290.364	PGMWXQSFBZJIGK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-051609
COc1c(CN[C@H](C)c2nnc3n2CCC3)c(C)nn1C	PC-id_94815283,ZINC22_58308837	290.364	PGMWXQSFBZJIGK-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051610
COc1n(C)nc(c1CNC(c1nnc2n1CCC2)C)C	PC-id_51104941,MCULE-7782838256,EMOLS-id_32159027	290.364	PGMWXQSFBZJIGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051611
O=C(c1sc2c(c1)cn[nH]2)Nc1sc2c(n1)CCC2	MCULE-4081578392,EMOLS-id_319944378	290.364	BSWHYEYKYPATLR-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-051612
s1c2CCCc2c(c1NC(=O)c1nc(sc1)N)C#N	PC-id_62787401	290.364	DDKUZCXZSFYUKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051613
COc1cccc(c1C(c1sc2c(c1)CCC2)O)OC	PC-id_115838533	290.377	KDKDPEFJDQLCGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051614
COc1cc(OC)cc(c1)C(c1sc2c(c1)CCC2)O	PC-id_115821602	290.377	LALRZPKBPCKFEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051615
FC[C@@H]1C[C@H]1CS(=O)(=O)N1Cc2c(C1)nc(s2)C	EMOLS-id_320135752,MCULE-3296633025	290.377	NYMPSWVXQHHQMN-IUCAKERBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051616
s1c2c(CCC2)cc1C(O)c1cc(OC)c(OC)cc1	PC-id_61100881	290.377	SQUFHSBEIBTBRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051617
s1c2c(CCC2)cc1C(O)c1c(OC)ccc(OC)c1	PC-id_61099015	290.377	KCYRXKCTJOXOHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051618
s1c2c(CCC2)cc1C(O)c1c(OC)cc(OC)cc1	PC-id_61086966	290.377	VGFDISUPLAAQDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051619
c1(C#N)c2CCCc2sc1N(CCC(=O)O)CC(=C)C	PC-id_82310304,MCULE-9380624023	290.381	HEMPLBLMISESDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051620
Cc1ccc(c(c1)C)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318786825	290.381	ISQWFABLFMZJHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051621
Cc1cccc(c1)C(S(=O)(=O)c1[nH]c2c(n1)CCC2)C	EMOLS-id_318564066	290.381	NTTNKXOTIUAQEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051622
Cc1cc(C(=O)Nc2nc3c(s2)CCC3(C)C)c(C)o1	PC-id_56682207,CHEMBL1822115	290.381	XENZFDXJFZZXEC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-051623
Cc1nc(c(o1)C)CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_98170639	290.381	OLXNVURGTDMIBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051624
C=C/C=CC(=C/C)C1n2c(SC1(C)C)ncc2C(=O)O	PC-id_142091432	290.381	IBXLEEIJJUVITF-SDHBEMGISA-N	00000010100000000001000010000000000000000000000000000000	25-01-051625
C=C(C[C@@H]1CCCCNC1=O)N1Cc2cscc2C1=O	PC-id_135155970,SCHEMBL20304431	290.381	CKXWPICCNHYDLF-NSHDSACASA-N	00000010100000000100000010000000000000000000000000000000	25-01-051626
CCCn1ncc(c1C(=O)c1sc2c(c1)CCC2)OC	PC-id_115811038	290.381	OUQWKAMNWHMMFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051627
CC(N1Cc2c(C1)cc(s2)C(=O)NCc1ccco1)C	EMOLS-id_32995630,PC-id_53171039,MCULE-3528033175	290.381	DBXIDNZJDREKKY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-051628
COc1ccc(cc1)CSC1CCn2c1cnc2CO	PC-id_139819163	290.381	HZGPTRWXZHEVQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051629
COc1cnn(c1C(=O)c1sc2c(c1)CCC2)C(C)C	PC-id_115810587	290.381	BQRQAHGBHBUYBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051630
O=C(c1c(C)oc(c1C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318686171	290.381	QFOVBYUBIVXSSZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-051631
O=C(c1sc2c(c1)CCC2)NNC(=O)C1CCC=CC1	PC-id_42920087,MCULE-6053100363,EMOLS-id_18818191	290.381	OCNPIMUPYKOVHG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-051632
O=C(c1sc2c(c1)CCC2)NNC(=O)[C@@H]1CCC=CC1	CoCoCo_4287963,PC-id_25469553	290.381	OCNPIMUPYKOVHG-JTQLQIEISA-N	00000010100011000000000010000000000000000000000000000000	25-01-051633
O=C(c1sc2c(c1)CCC2)NNC(=O)[C@H]1CCC=CC1	CoCoCo_4287964,PC-id_25469555	290.381	OCNPIMUPYKOVHG-SNVBAGLBSA-N	00000010100011000000000010000000000000000000000000000000	25-01-051634
O=C(c1sc2c(c1)CCC2)OCC(n1ccnc1)(C)C	EMOLS-id_319216094	290.381	HLORFKHQIWRCNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051635
O=C(c1sc2c(c1)N(CC2)C(=O)C1CC1)NCC1CC1	PC-id_97524527	290.381	XNNRUWPTYYZNOQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-051636
O=C(CC1CCC=C1)NNC(=O)c1sc2c(c1)CCC2	MCULE-2231314596,PC-id_24248360,EMOLS-id_17214200	290.381	ANARSRQCJSNMKS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-051637
O=C(Cc1sc2c(n1)C(CC2)(C)C)NCc1ccco1	EMOLS-id_172342221,PC-id_122153085	290.381	XPBUMJXXVLCULB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-051638
O=C(C[C@@H]1CCC=C1)NNC(=O)c1sc2c(c1)CCC2	PC-id_27684662,CoCoCo_4086492	290.381	ANARSRQCJSNMKS-JTQLQIEISA-N	00000011100000000000000010000000000000000000000000000000	25-01-051639
O=C(C[C@H]1CCC=C1)NNC(=O)c1sc2c(c1)CCC2	PC-id_27684663,CoCoCo_4086491	290.381	ANARSRQCJSNMKS-SNVBAGLBSA-N	00000011100000000000000010000000000000000000000000000000	25-01-051640
OCCOc1ccc(cc1)NCc1sc2c(n1)CCC2	PC-id_109948741	290.381	XFGBSQXRLQNTRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051641
O=C(N1CCc2c1cc(s2)C(=O)N1CCCC1)C1CC1	PC-id_97407216	290.381	DSBOPMXPRYZMBS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-051642
O=C(N1CCC[C@H]2[C@@]1(C2)C(=O)N)c1sc2c(c1)CCC2	EMOLS-id_320249336,MCULE-5639636210	290.381	RFHYTEGQGNVVCW-BMIGLBTASA-N	00100010100010000000010010000000000000000000000000000000	25-01-051643
O=C(NC1CC1)c1c(NC(=O)C2CC2)sc2c1CCC2	EMOLS-id_44561383,ZINC22_65067803,PC-id_71881267,MCULE-9146449610	290.381	IVVKMHGRIMGLCE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-051644
s1c2c(CCC2)cc1CNC1C(=O)N(C2CC2)C(=O)C1	PC-id_61207598	290.381	FPXFABNPBXRGHP-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-051645
s1c2c(CCC2)cc1CNCc1[nH]c(cc1)C(=O)OC	PC-id_79415708	290.381	NMDPLMPKKMQDOE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-051646
s1c2c(CCC2)c(c1N(CC(C)C(=O)O)CC=C)C#N	PC-id_82309797	290.381	QBFJKPZCNSSPGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051647
s1c2CCCc2nc1C(N)c1cc(OC)cc(OC)c1	PC-id_61330105	290.381	PLAJQCPZYMMGGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051648
s1c2CCCc2nc1C(N)c1cc(OC)c(OC)cc1	PC-id_61333071	290.381	CSXCFQROEYSCNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051649
s1c2CCCc2nc1C(N)c1c(OC)ccc(OC)c1	PC-id_61330103	290.381	PGYUKHYJRNYCEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051650
s1c2CCCc2nc1C(N)c1c(OC)cc(OC)cc1	PC-id_61330501	290.381	SBLJTCBBISTECD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051651
s1c2CCCc2nc1C(N)c1c(OC)c(OC)ccc1	PC-id_61331490	290.381	NTJZIFDZIAPLLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051652
c1c([C@@H]2CCOC2)nnn1CCc1nc2c(s1)CCC2	PC-id_97130978,ZINC22_91644990	290.384	MZQUJXHXVQNVHD-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-051653
c1c([C@H]2CCOC2)nnn1CCc1nc2c(s1)CCC2	PC-id_97130979,ZINC22_91644991	290.384	MZQUJXHXVQNVHD-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-051654
c1(CN(C)C(=O)Cc2csc(C)n2)[nH]nc2CCCc12	EMOLS-id_32426254,PC-id_50978880,ZINC22_67909541,MCULE-6364487302	290.384	GJQWUFSLYAPLTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051655
c1(C(=O)Nc2scc(C(C)(C)C)n2)c2CCCc2[nH]n1	EMOLS-id_323257267,MCULE-8861210215	290.384	DHYNDPMMNYRZBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051656
c1(C(=O)NCc2c(C)nc(CC)s2)c2CCCc2[nH]n1	EMOLS-id_49878718,MCULE-1638450148,ZINC22_215518271,PC-id_77085580	290.384	UAKXCOBCBZXRLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051657
c1(C(=O)N(C)CCc2scnc2C)c2CCCc2[nH]n1	MCULE-7293432224,PC-id_56905889,ZINC22_72457411,EMOLS-id_43147378	290.384	BUWADHDJGPVQQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051658
c1(NC(=O)CCc2c(C)n[nH]c2C)sc2c(CCC2)n1	MCULE-6390082503,EMOLS-id_323450031	290.384	CHZNOMQNYBZYPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051659
c1(NC(=O)CCCn2cccc2)n(C)nc2CSCc12	MCULE-4849741010,ZINC22_524735775,EMOLS-id_104694520,STOCK7S-63979	290.384	YAVZDONVFPLPOE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-051660
c1(sc2c(CCC2)n1)NC(=O)c1cc([nH]n1)CC(C)C	MCULE-3695300364,EMOLS-id_323261927,EMOLS-id_323380426	290.384	QDKUVWKVYXEKSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051661
Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)c(C)s1	MCULE-6882991468,ZINC22_65436722,PC-id_53504427,EMOLS-id_35706542	290.384	GXDFWLKCYVBNRM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051662
Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)sc1C	PC-id_53498761,MCULE-1715078683,ZINC22_48343239,EMOLS-id_35706604	290.384	GKMGYZQCLJUMSL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051663
Cc1ccc(s1)CN1Cc2c(C1)c(n[nH]2)C(=O)N(C)C	PC-id_97389033	290.384	BTARUXHCCTWSCZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051664
Cc1c(c(n[nH]1)C)C(C)C(=O)Nc1nc2c(s1)CCC2	EMOLS-id_49932336,MCULE-2473442700,PC-id_86788469	290.384	RQAMQSAHPSIISB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051665
Cc1ncn(c1)C(C(=O)Nc1sc2c(n1)CCC2)(C)C	EMOLS-id_316538792	290.384	GZIZVBVVUJXALP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051666
Cc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)CCC2	ZINC22_25769227,PC-id_33040933,EMOLS-id_31865654,MCULE-5431914141,CoCoCo_4446957	290.384	IDGYXGMIJBNGGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051667
Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1nc2c(s1)CCC2	PC-id_99629959,ZINC22_130966436	290.384	RQAMQSAHPSIISB-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051668
Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1nc2c(s1)CCC2	PC-id_99629960,ZINC22_130966636	290.384	RQAMQSAHPSIISB-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051669
CC(c1cccc(n1)NCCc1nc2n(c1)CCS2)O	MCULE-7932832388,EMOLS-id_258211105	290.384	YUMWHSYCQMQTBZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051670
CCc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)s1	ZINC22_58328883,EMOLS-id_31936718,PC-id_51079874,MCULE-7863250600	290.384	XEXAKCWSMQFJLW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051671
CCc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)s1	PC-id_95281646,ZINC22_69418194	290.384	LAFGTDBRGOZSNB-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-051672
CCc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)s1	ZINC22_69418195,PC-id_95281647	290.384	LAFGTDBRGOZSNB-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051673
CCc1ccc(s1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_53524206,EMOLS-id_36268866,MCULE-9332887889	290.384	LAFGTDBRGOZSNB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051674
CC(c1cc(n(n1)C)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318461983	290.384	GSLJLBFIMRGBPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051675
CCc1csc(n1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_318856813	290.384	KXIZUACGKKKAEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051676
CCc1csc(n1)C(NC(=O)c1n[nH]c2c1CCC2)C	MCULE-8743571095,EMOLS-id_320161007	290.384	SRHOUQTZKFVKFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051677
CCc1nc(c(s1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318703297	290.384	POVRGWNMDOAYLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051678
CCc1nc(c(s1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318872380	290.384	WBYYMLGWCKPENC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051679
CCc1scc(n1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319119252	290.384	MCGOJMCPADEFDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051680
CC(Cc1cccs1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319130642	290.384	VWSJZPKBZFIPRN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051681
CCCc1ncc(s1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-3319843928,EMOLS-id_320205380	290.384	SSIOOCFFRIDSFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051682
CCCn1nnc(c1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318845550	290.384	OIJCLNYYRBJAIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051683
CC(C(=O)NCCc1nc2CCCc2s1)n1cccn1	MCULE-3589820084,PC-id_119065946,EMOLS-id_82719601	290.384	OHXIOYGBTMSPED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051684
C[C@@H](C(=O)NCCc1nc2c(s1)CCC2)n1cccn1	ZINC22_426503313	290.384	OHXIOYGBTMSPED-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-051685
C[C@H](C(=O)NCCc1nc2c(s1)CCC2)n1cccn1	ZINC22_426503316	290.384	OHXIOYGBTMSPED-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051686
C[C@@H](NC(=O)c1sc2c(c1)CCC2)Cc1nnn(c1)C	EMOLS-id_319178404	290.384	DDUKYMMRFHGAJU-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051687
C[C@H](NC(=O)CCc1cccs1)c1nnc2n1CCC2	PC-id_94024409,ZINC22_44934481	290.384	YOGPULZQNVSPNO-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-051688
C[C@@H](NC(=O)CCc1cccs1)c1nnc2n1CCC2	ZINC22_44934484,PC-id_94024410	290.384	YOGPULZQNVSPNO-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051689
C[C@H](NC(=O)CCc1ccsc1)c1nnc2n1CCC2	ZINC22_44896703,PC-id_94018276	290.384	UVRDRQRQYZQCBX-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-051690
C[C@@H](NC(=O)CCc1ccsc1)c1nnc2n1CCC2	ZINC22_44896705,PC-id_94018277	290.384	UVRDRQRQYZQCBX-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051691
CC(n1cc(c(n1)C)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318435047	290.384	VZZADUBBNYSXDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051692
CCn1ccc(n1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318644913	290.384	JQQMZVOXRDVVNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051693
CCn1ccnc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318533737	290.384	BVSZISCERVWWFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051694
C(Cn1cc(nn1)C1CCOC1)c1nc2CCCc2s1	MCULE-1036891379,EMOLS-id_46060511,PC-id_72886678	290.384	MZQUJXHXVQNVHD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-051695
CCn1cnc(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318654895	290.384	ZQHKKVRBNXWUFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051696
CC(n1ncc(c1C)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318545240	290.384	ACVBSSHFNQLYEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051697
CCn1nc(c(c1C)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318583092	290.384	IVTIVJQQEPDGLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051698
CCn1ncc(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318636885	290.384	QGIIWXIMDWXXAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051699
CCn1nccc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318715838	290.384	MGXZICQAQPNBEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051700
CC(=O)NCc1nn(C)c2c1CN(Cc1ccsc1)C2	ZINC22_96259100,PC-id_97519190,EMOLS-id_44369748	290.384	OMVPGIMDHPYAOD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051701
Cn1cc(c(n1)C(C)C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318389172	290.384	JFCHAPFCSAHZBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051702
Cn1nnc(c1)C(NC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_316670478	290.384	KIDDTGKCJCHJNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051703
CN(Cc1nnc2n1CCC2)C(=O)CCc1cccs1	EMOLS-id_35706528,ZINC22_65399427,MCULE-5739991402,PC-id_53500320	290.384	RVQAAROWNWAXMG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051704
CN(C)C(=O)c1nn(C)c2c1CN(Cc1cccs1)C2	PC-id_97461988,ZINC22_96187530,CHEMBL3552647,EMOLS-id_44325343	290.384	ZENLPJXMMZXNME-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051705
CN(C(=O)c1n[nH]c2c1CCC2)CC(c1nccs1)C	EMOLS-id_317915330	290.384	UBNWJUYZLYUJJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051706
COCc1cc(NCCc2nc3CCCc3s2)ncn1	ZINC22_95364735,MCULE-7063471728,PC-id_72871253,EMOLS-id_46616374	290.384	GBGGPAJFRZQROC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051707
N#CC1(C)CN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102887551	290.384	JNWUCWDJVZGQIX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051708
N#Cc1c(NC(=O)CC2CCCCC2)nc2n1CCS2	PC-id_72132819,EMOLS-id_42894999,ZINC22_72287808,MCULE-4007745300	290.384	YDNWOSODRVXFAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051709
NCCn1cnc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_107497593	290.384	YBHXTEXWHDQJIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051710
O=c1cccnn1CCNc1sc2c(n1)C(CC2)(C)C	MCULE-4724113518,EMOLS-id_318587716	290.384	WZFLIJDPQSMEGR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051711
O=C(c1cc(n(n1)C)C(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318669196	290.384	NWTINOKNHLNLOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051712
O=C(c1cc(n(n1)C(C)C)C)Nc1sc2c(n1)CCC2	PC-id_45532986,EMOLS-id_318401567	290.384	FXFWBNZDCVBHEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051713
O=C(c1cnc2n1CCC2)Nc1nc(c(s1)C)C(C)C	EMOLS-id_318406001	290.384	ULERVOBMVLBNLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051714
O=C(c1cnc(s1)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318461239	290.384	UHGGQEIXBGDVSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051715
O=C(c1cnc(s1)C(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318740695	290.384	ZNFUEDSBQFLKHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051716
O=C(c1cnc(s1)C(C)C)NCc1cnc2n1CCC2	MCULE-4289378074,EMOLS-id_319927833	290.384	SMXFDFZJCACTPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051717
O=C(c1cnn2c1CCC2)Nc1nc(c(s1)C)C(C)C	EMOLS-id_318729252	290.384	QHZNXSPBMRTONO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051718
O=C(c1csc(n1)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318380404	290.384	ZRSNOXPXJVMYMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051719
O=C(c1csc(n1)C(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318720116	290.384	OCUHPVFUGVDHFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051720
O=C(c1ncsc1C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318387927	290.384	AIHQXQNAHDTRMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051721
O=C(c1ncsc1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319585760	290.384	ARFZOIOUBZSAEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051722
O=C(c1ncsc1C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318908540	290.384	ARXXBJNHZWOYNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051723
O=C(c1nn2c(c1)CCC2)Nc1nc(c(s1)C)C(C)C	EMOLS-id_318536545	290.384	LIHVEAOZCUFOKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051724
O=C(c1scnc1C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318640925	290.384	KGCNUGJPHFKABC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051725
CCNC(c1cc(F)ccc1C)c1sc2c(n1)CCC2	PC-id_108386593	290.399	YQKQRWYJNIMTLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051770
O=C(c1scnc1C(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318531678	290.384	LBWHQTCVHXTCFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051726
O=C(C(c1cccs1)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318403279	290.384	IDQIJTVFTAYBIA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051727
O=C(C(c1scc(n1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318452312	290.384	BAMWHLVLVXOOJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051728
O=C(C(c1scc(n1)C)C)NCc1cnc2n1CCC2	MCULE-8447416106,EMOLS-id_320200591	290.384	SFNPXIWVGFGSQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051729
O=C(Cc1sc(nc1C)C)NCc1n[nH]c2c1CCC2	MCULE-4734496803,EMOLS-id_320095107	290.384	VPYZPYCZCOLUGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051730
O=C(CCc1scnc1C)NCc1cnc2n1CCC2	EMOLS-id_319914247,MCULE-8761343550	290.384	DBDMUJGJWHYCCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051731
O=C(C(n1cccn1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318571140	290.384	KQFKANMHKHDHTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051732
O=C(Cn1ccnc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318717837	290.384	RIDDTKVOPWCPHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051733
O=C(C(n1cncc1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318521506	290.384	OGQGBDIPZGEEHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051734
O=C(Cn1nccc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318443537	290.384	OYWCYIJKXWOKGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051735
O=C(N1CCn2c1ncc2)Cc1nc(c(s1)C)C(C)C	EMOLS-id_319877536,MCULE-1184570520	290.384	BKLIBGIDOOQYLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051736
O=C(Nc1n(C)nc2c1CCC2)CCc1scc(n1)C	EMOLS-id_100937799	290.384	FCEPTWZNJCDGIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051737
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cn1ccc(n1)C	EMOLS-id_318657745	290.384	VTDMTIAXJGXBNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051738
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cn1ncc(c1)C	EMOLS-id_318676031	290.384	HCFKSUYUXRLUKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051739
O=C(N(Cc1cccs1)C)NC1CC(n2c1ncc2)C	EMOLS-id_318382250	290.384	APXXLGBJMQAECF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051740
O=C(NCc1cnc2n1CCC2)CCc1scc(n1)C	MCULE-7922723118,EMOLS-id_320155867	290.384	QHPANPBOMFDINR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051741
O=C(N(Cc1cscc1)C)NC1CC(n2c1ncc2)C	EMOLS-id_318480641	290.384	AYVKKSCYLTXKOS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051742
O=C(NC(c1nnc2n1CCC2)C)CCc1cccs1	MCULE-2556992255,EMOLS-id_31936124,PC-id_45819109	290.384	YOGPULZQNVSPNO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051743
O=C(NC(c1nnc2n1CCC2)C)CCc1cscc1	EMOLS-id_31875224,PC-id_45804916,MCULE-1985111285	290.384	UVRDRQRQYZQCBX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051744
O=C(NCc1n[nH]c2c1CCC2)CCc1scc(n1)C	EMOLS-id_319427140	290.384	JIXUZPFSBIPSJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051745
O=C(N(C)C)Cn1ncc(c1)NC1CCc2c1scc2	EMOLS-id_318386113,MCULE-6060628985	290.384	FTXVXGORQUMMOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051746
s1c2CCCc2cc1CNC(=O)c1nc([nH]n1)CCC	PC-id_80381512	290.384	POLAYWUYQJNTTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051747
s1c2CCCc2cc1CNC(=O)c1nc([nH]n1)C(C)C	PC-id_80381527	290.384	DCQOHVRVIDZKDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051748
s1c2CCCc2cc1CNC(=O)c1n(ncc1N)CC	PC-id_65359189	290.384	XSTSJKUHVAGMMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051749
s1c2CCCc2cc1CNC(=O)c1n(nc(c1N)C)C	PC-id_66124965	290.384	AYHZKPGYLKOWFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051750
s1c2CCCc2cc1CNC(=O)c1nn(CC)cc1N	PC-id_65358158	290.384	BBRHCRYTNKJCJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051751
s1c2CCCc2cc1CNC(=O)c1n[nH]c(c1N)CC	PC-id_62081664	290.384	MELOFVIFCHRIOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051752
s1c2c(CCC2)c(c1NC(=O)CN1CCNCC1)C#N	PC-id_60710100	290.384	OYYJDPVYRIXDEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051753
s1c2CCCc2nc1NC(=O)c1n(CCC)cc(N)c1	PC-id_61507652	290.384	CXPLEQMYQMRGPN-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-051754
s1c2CCCc2nc1NC(=O)c1n(C(C)C)cc(N)c1	PC-id_61507653	290.384	VORDWJPRASIYNT-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-051755
s1c2CCCc2nc1NC(=O)c1n(nc(c1)C)C(C)C	PC-id_45530693	290.384	SKXJVDAPPGPXGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051756
c12SCCn1cc(Cn1cc(nn1)C1CCCNC1)n2	MCULE-4702279998,EMOLS-id_46603170,PC-id_72845061	290.387	XHHKSAGFZUYZGC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-051757
c12SCCn1cc(CNc1cc(CCN)nc(C)n1)n2	PC-id_56701095,EMOLS-id_36421182,ZINC22_67433044,MCULE-4165539526	290.387	ALUCMQZPECEVSM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051758
C1CCC(C1)c1nsc(n1)NCc1nnc2n1CCC2	EMOLS-id_102031262,MCULE-8497061061	290.387	JOKVXGSHNQSKCB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-051759
c1c([C@@H]2CCCNC2)nnn1Cc1cn2c(n1)SCC2	ZINC22_95355027,PC-id_97188312	290.387	XHHKSAGFZUYZGC-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-051760
c1c([C@H]2CCCNC2)nnn1Cc1cn2c(n1)SCC2	ZINC22_95355028,PC-id_97188313	290.387	XHHKSAGFZUYZGC-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-051761
c1(Nc2ncc(c(N(C)C)n2)C)n(C)nc2CSCc12	ZINC22_2100545337,MCULE-5356188675,EMOLS-id_337690589	290.387	PQMFKBUWDBWVBM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-051762
CN=C(NCc1cccs1)NCc1nnc2n1CCC2	PC-id_111020167	290.387	JXELBJMINBALIX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051763
CN=C(NCc1cscc1)NCc1nnc2n1CCC2	PC-id_111020113	290.387	QSAGPGALEVBGQJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051764
NC(=NCc1nnc2n1CCC2)NCCc1cccs1	PC-id_111039251	290.387	HQEQGIQFBDRWRL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051765
CCC(c1ccc(cn1)F)NCc1sc2c(c1)CCC2	PC-id_115938685	290.399	AIYQBATYTFHLDV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-051766
CCCNC(c1ccncc1F)c1sc2c(c1)CCC2	PC-id_105038182	290.399	SBYUSUXDAUOKCF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-051767
CCCNC(c1sc2c(c1)CCC2)c1cncc(c1)F	PC-id_115804463	290.399	NWCQPQISSGWMHG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-051768
CCNC(c1cc(C)ccc1F)c1sc2c(n1)CCC2	PC-id_108218971	290.399	WHABSYRRISAQKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051769
CNC(c1sc2c(n1)CCC2)(Cc1cccc(c1)F)C	PC-id_114832563	290.399	XLUMGIGPDHEWCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051771
CNC(c1sc2c(n1)CCC2)(Cc1ccccc1F)C	PC-id_114832564	290.399	LBNNAILABQIWOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051772
CNC(c1sc2c(n1)CCC2)(Cc1ccc(cc1)F)C	PC-id_114832565	290.399	UMJRAGJXKULJOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051773
Fc1ccccc1C(NCc1sc2c(n1)CCC2)(C)C	MCULE-4596403453,EMOLS-id_318338579	290.399	OMTHEWFVCHPZEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051774
NNC(c1c(C)cc(cc1F)C)c1sc2c(c1)CCC2	PC-id_113889098	290.399	MEBCEVSTBMSKLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051775
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1C)F	PC-id_105340824	290.399	MQRJRAGJAXOUHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051776
NNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1C	PC-id_105378052	290.399	RORWVFDUQIHCEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-051777
s1c2CCCc2nc1C(NCC)c1cc(c(F)cc1)C	PC-id_62122590	290.399	TYYBTHLPVAWNMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051778
s1c2CCCc2nc1C(NCC)c1c(cc(F)cc1)C	PC-id_62136181	290.399	VRKCGXVWJDFFLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051779
s1c2CCCc2nc1C(NCC)c1cc(F)c(cc1)C	PC-id_63649292	290.399	VQIREXJNJRQQTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051780
s1c2CCCc2nc1C(NCCC)c1ccc(F)cc1	PC-id_61333229	290.399	BEWKWLCNDBGQNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051781
s1c2CCCc2nc1C(NC(C)C)c1ccc(F)cc1	PC-id_61335236	290.399	VNEASFVBXUFSBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051782
s1c2CCCc2nc1C(NC(C)C)c1cc(F)ccc1	PC-id_61333658	290.399	SLASPROEGPHLBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051783
s1c2CCCc2nc1C(NCCC)c1cc(F)ccc1	PC-id_61334207	290.399	ZYZDNIPDPPGFTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051784
s1c2CCCc2nc1C(NC(C)C)c1c(F)cccc1	PC-id_61333273	290.399	UDHSLIGSHLUISQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051785
s1c2CCCc2nc1C(NCCC)c1c(F)cccc1	PC-id_61334395	290.399	PYROOAWBEXFPFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051786
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1CCCCC1	MCULE-3679714366,EMOLS-id_330973881	290.401	IFOTUYRPHNRULE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051787
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1CCCC1	MCULE-3264398887,EMOLS-id_330977727	290.401	ODDNTIYOQRQCSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051788
O1CCCC(CC1)N1CC[C@H](C1)OC1CCc2c1[nH]cc2	PC-id_71192740,SCHEMBL14528433	290.401	XZMUEWKSLSQLOS-HWOWSKLDSA-N	00000010100000000100100010000000000000000000000000000000	25-01-051789
O(C1CN(C2CCCOCC2)CC1)C1CCc2c1[nH]cc2	PC-id_78025755	290.401	XZMUEWKSLSQLOS-UHFFFAOYSA-N	00000010100000000100100010000000000000000000000000000000	25-01-051790
C1(C(C)(C)C)(CC1)NC(=O)N(C)Cc1c2CCCc2[nH]n1	EMOLS-id_232872019,MCULE-7950702537,ZINC22_827887403	290.404	FSUCDBIYBIYMFL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051791
c1(CN(C)C(C)C(=O)NC2CCCC2)c2CCCc2[nH]n1	MCULE-5445205865,PC-id_91830830,EMOLS-id_55619138	290.404	ZTTWTOQITILUBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051792
ClC(c1sc2c(CCC2)c1)c1ccc(CCC)cc1	PC-id_63432648	290.851	JKECHFWGIYJGIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052101
CC1CC(c2n1ncn2)NCC1(CCC1)C1CCCCO1	EMOLS-id_319175542	290.404	LWBLECZNTIGEOZ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-051793
CC1CCC(C(C1)C)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101398312	290.404	BFCRDDPPZUORPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051794
CC1CCCC(C1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436708	290.404	PQOSPSRSAFDNRF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051795
CC1CCC(CC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436711	290.404	VXIDZQLSWMTHCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051796
CC1CCC(CC1)(C)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101526855	290.404	ATWNYRSLJNBXQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051797
CC1CCCCC1N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101581032	290.404	QRCFXNVLHKOQTK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051798
CC1CCCC(C1)N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101581044	290.404	ZCHUHTUGAHVQIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051799
CC1CCC(CC1)N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101581098	290.404	NEXGLIJOUWSOAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051800
CC1CC(C)CC(C1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101391925	290.404	CZBIYGKUCJMDSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051801
CC1CCCC(CC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421633	290.404	YVAYMGLARUNQSR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051802
CC1(C)CC(CC(C)(C)N1)NC(=O)c1n[nH]c2CCCc12	EMOLS-id_102419399,MCULE-7886081138	290.404	RNXDOYZUPFMPRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051803
Cc1ccc(/C=N/c2sc3c(c2C(=O)N)CCC3)s1	PC-id_9660934,ZINC22_3246318,CoCoCo_3776057,CK2063090	290.404	BFZJQFPPUAZIJQ-FRKPEAEDSA-N	00000010100100000000000010000000000000000000000000000000	25-01-051804
CC1CCCN(C1)CC(NC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98481217	290.404	PPENTCRZWGWELV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051805
Cc1ccc(s1)/C=Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3776058,GD-id_ZINC03246318	290.404	BFZJQFPPUAZIJQ-APSNUPSMSA-N	00000010100100000000000010000000000000000000000000000000	25-01-051806
Cc1ccc(s1)C=Nc1sc2c(c1C(=O)N)CCC2	MCULE-7389558928,EMOLS-id_26182210,PC-id_2363571	290.404	BFZJQFPPUAZIJQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-051807
CC1CN(CC(C1)(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420385	290.404	NKUTXLLNKGHINO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051808
CCC1(CCCC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101377426	290.404	QSEDTAXUPKMRQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051809
CCC1CCCC(C1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101374750	290.404	BOTSKWPSOBTJEQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051810
CCC1CCCCC1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101402395	290.404	OYECOMRTAONOIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051811
CCC1(CCCCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572845	290.404	PZTKWCDMUQCLLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051812
CC(C1CCCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579217	290.404	BWTDPEALVUJIJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051813
CCC1(CC)CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418660	290.404	XGZHUXSNLCRQMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051814
CCC1(C)CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579148	290.404	ABQJLHUEJRXTGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051815
CCC1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579205	290.404	BATUKXJLHZPIAC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051816
CCC1(C)CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581005	290.404	DMRDIDFNLHKEPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051817
CC(C1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579160	290.404	PJDJPGNDNQENTH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051818
CCC(C1CCCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101423064	290.404	YUUFZVZMSQMPPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051819
CCCC1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101576943	290.404	SNTMLDDFXIJBNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051820
CC(CC1CCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101414176	290.404	UTGIJLQHJKIWCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051821
CCCC1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418672	290.404	ZIMUGOKYNQPOFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051822
CC(CC1CCN(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101417100	290.404	YCIQPTLTSNCZEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051823
CCCCC1CCC(CC1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319966418,MCULE-6941672417	290.404	HBXJJJUHBHMZGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051824
CC(C)CC1(C(=O)NCCc2nnc3n2CCC3)CCC1	ZINC22_89821088,MCULE-2701438896,PC-id_71855022,EMOLS-id_45766758	290.404	BFZGUUXQESPSQY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051825
CC(CCN1Cc2c(C1)n(nc2C(=O)N1CCCC1)C)C	PC-id_97462006	290.404	RYTQPWPZYRSKSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051826
CC(CN1CCCC1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318971623	290.404	SBYJFFSMZMTQHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051827
CC(CN1CCCC1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319040156	290.404	PJMPGIGNFRGXOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051828
CCCN1CCCCC1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319139563	290.404	AZTMDUNUYAFGEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051829
CCCN1CCCC(C1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320138162,MCULE-5742301157	290.404	LOPRZITZIBCNEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051830
CCCN1CCCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318782787	290.404	PODNCRIJAFVWKD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051831
CCCN1CCCCC1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320208046,MCULE-7534090006	290.404	QPFRLHQQBOTITD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051832
CC(C)n1nc(CN2CCCCC2)c2CN(Cc12)C(=O)C	ZINC22_2055718418,EMOLS-id_313735637	290.404	YPYRAGMQPHHBCB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051833
CCCN(C(=O)C1NCc2c1c[nH]n2)CC1CCCCC1	EMOLS-id_318807237	290.404	JSUNFBJVWXDNAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051834
CC(C(N(C(=O)NC1CC(n2c1ncc2)C)C1CC1)C)C	EMOLS-id_101577126	290.404	WZCULYQHMRVYRK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051835
CC(C(=O)NCc1cnc2n1CCC2)N1CCCCCC1	MCULE-1579085354,EMOLS-id_320339751	290.404	WBBNDTCZSJDXTJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051836
CC(C(=O)NCc1n[nH]c2c1CCC2)N1CCCCCC1	EMOLS-id_319497386	290.404	VRCZJJNSASKTFY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051837
C[C@H](C(=O)NC1CCCC1)N(C)Cc1n[nH]c2c1CCC2	ZINC22_244899979	290.404	ZTTWTOQITILUBX-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051838
C[C@@H](C(=O)NC1CCCC1)N(C)Cc1n[nH]c2c1CCC2	ZINC22_244899980	290.404	ZTTWTOQITILUBX-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-051839
C[C@@H](NC(=O)CCC1CCCCC1)c1nnc2n1CCC2	PC-id_95154470,ZINC22_65577241	290.404	CDPFYKNVDNCKML-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051840
C[C@H](NC(=O)CCC1CCCCC1)c1nnc2n1CCC2	ZINC22_65577237,PC-id_95154469	290.404	CDPFYKNVDNCKML-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051841
CCN1CC(C(C1)(C)C)NC(=O)c1n(C)nc2c1CCC2	MCULE-4713174206,EMOLS-id_320186265	290.404	RPQXHKGVFUATJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051842
CCN(C1CC(C1)(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101703632	290.404	CWZBEBQTRCUAHQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051843
CC(NC(=O)C1NCc2c1c[nH]n2)CCC1CCCCC1	EMOLS-id_319943502,MCULE-5328865307	290.404	XRPCIWXHAFUGDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051844
CCNC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109995	290.404	QSCLZFWKSUARTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051845
CCN(C(=O)NC1CC(n2c1ncc2)C)C1CCCCC1	EMOLS-id_101579283	290.404	HWZFCHYSLWDTPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051846
CC(N(C(=O)NC1CC(n2c1ncc2)C)CC1CCC1)C	EMOLS-id_101574894	290.404	LSAFNTMKTRAQAA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051847
CN(Cc1nnc2n1CCC2)C(=O)CCC1CCCCC1	PC-id_51074977,EMOLS-id_33301347,MCULE-2697985987,ZINC22_58358060	290.404	SWOBVZHEDXPPIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051848
CN(CCC1CCCN1C(=O)c1n(C)nc2c1CCC2)C	MCULE-2131841307,EMOLS-id_319837093	290.404	VBSDAOUDLCGPQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051849
CN(CCC1CCN(C1)C(=O)c1n(C)nc2c1CCC2)C	EMOLS-id_319653608	290.404	KDDSPVIRKFGZQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051850
NCC1(CCCCC1)CC(=O)Nc1n(C)nc2c1CCC2	PC-id_120361164,EMOLS-id_302272807,MCULE-7189197618	290.404	HQQTXSIJBMYEEI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051851
O1C2C(C(NC(c3n4CCCc4nn3)C)C2CCC1)(C)C	PC-id_64865376	290.404	WSXQDWWBEIPBAS-UHFFFAOYSA-N	00001010100010000001001010000000000000000000000000000000	25-01-051852
O1CCN(CC1)C1CCCCC1NC1CCn2c1ncc2	EMOLS-id_318362169	290.404	JQNDHERPEDCEHO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-051853
O=C1CC(CN1C(C)(C)C)CNC1CC(n2c1ncc2)C	EMOLS-id_318109257,MCULE-3437493302	290.404	ADLCBIVAZOGWSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051854
O=C(c1cc2n(n1)CCC2)N1CCCN(CC1)C(C)(C)C	EMOLS-id_102922145	290.404	VQJKDKIRGHSWNU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051855
O=C(C1CCCC(C1)NC1CC(n2c1ncc2)C)N(C)C	EMOLS-id_318291206,MCULE-3279283217	290.404	INNOXWHFEMYJEX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051856
O=C(C1CCCN(C1)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318793781	290.404	CQSKMLYENSZDLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051857
O=C(C1CCN(CC1)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319794024	290.404	BKUCCMAJDUGMAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051858
O=C(c1cnn2c1CCC2)N1CCCN(CC1)C(C)(C)C	EMOLS-id_102922133	290.404	YNJPGYAGYBISDZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051859
O=C(C1NCc2c1c[nH]n2)NC1CC(C)(C)CC(C1)(C)C	EMOLS-id_319856733	290.404	YCQLFFOFBSAJRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051860
O=C(c1n(C)nc2c1CCC2)NCC(N1CCCC1)(C)C	EMOLS-id_318939390	290.404	AEQBTKGFRAHAPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051861
O=C(c1nn2c(c1)CCC2)NC1CC(C)(C)NC(C1)(C)C	EMOLS-id_102782451	290.404	QDUNWJONINZOKA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051862
O=C(c1nn(c2c1CN(C2)CC1CCCCC1)C)N(C)C	PC-id_97389058	290.404	PATWCOUJOUKSEL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051863
O=C(c1n[nH]c2c1CCC2)N1CCCN(CC1)C(C)(C)C	EMOLS-id_102299420	290.404	ZSCICDDNEWBQQX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051864
O=C(c1n[nH]c2c1CCC2)NCC(N1CCCCC1)(C)C	EMOLS-id_97878017	290.404	AKZSNWGUGHCHRK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051865
O=C(c1n[nH]c2c1CCC2)NCCN1CCCC(C1)(C)C	EMOLS-id_99969388	290.404	NEOMUNSBBHRGNN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051866
O=C(c1n[nH]c2c1CCC2)NCCNC1CCCCCC1	MCULE-4789616343,PC-id_119619277,EMOLS-id_301773954	290.404	GILNVWOEDCRPKF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051867
OC(c1sc2c(c1)CCC2)Cc1nc2n(c1)ccs2	PC-id_115828167	290.404	WMXSHRCXZQHPIR-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-051868
O=C(C(N1CCCCC1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_316565846	290.404	SQVNWEGWGITFTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051869
O=C(C(N1C(C)CCC1C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_101735200	290.404	NZONULVHAADCDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051870
O=C(C(N1CCCCC1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_320073014,MCULE-9754916573	290.404	YMYFBRYQZLPVFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051871
O=C(C(N1C(C)CCC1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319039137	290.404	QILQJDOAAXWRSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051872
O=C(C(N1CCCCC1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319515430	290.404	YRMUTTOSKNYAPL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051873
O=C(CSc1ccccc1)Nc1nc2c(s1)CCC2	ZINC22_563574,PC-id_956897,MCULE-1258936300,EMOLS-id_5566154,CoCoCo_3817041	290.404	VSPSSGHMTVGADJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051874
O=C(N1CCC(C1)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101420379	290.404	DTNJAEIYGUWIDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051875
O=C(N1CCC(C(C1)(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101576934	290.404	QOAMCPZWPFOUDO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051876
O=C(N1CCCC(CC1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101579169	290.404	PDQRZAAAVBRBOP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051877
O=C(NC1CCCCC1(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101367988	290.404	BCBMTICCTGQQHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051878
O=C(N(C1CCCCC1)C)CNC1CC(n2c1ncc2)C	MCULE-2857461714,EMOLS-id_318221340	290.404	FYXVFCSYXMEAAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051879
O=C(NC1(C)CCCCC1C)NC1CC(n2c1ncc2)C	EMOLS-id_101572788	290.404	BMPSOCHLEQXTRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051880
O=C(N(C1CCCCCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101581089	290.404	LTKDTDPAWHTAKE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051881
O=C(NC1CC(n2c1ncc2)C)NC1CCCC(C1)(C)C	EMOLS-id_101370226	290.404	SQQNXGCOPVACSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051882
O=C(NC1CC(n2c1ncc2)C)NC1CCCC(C1C)C	EMOLS-id_101537796	290.404	YZGKYURBWSNDGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051883
O=C(NC1CC(n2c1ncc2)C)NC1CCC(CC1)(C)C	EMOLS-id_101659642	290.404	CRQSSKZWCHBROL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051884
O=C(NC1CC(n2c1ncc2)C)NC1C(C)CCCC1C	EMOLS-id_101640751	290.404	INRXAIZBJDBLID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051885
O=C(NC1CC(n2c1ncc2)C)NCC1C(C1(C)C)(C)C	EMOLS-id_101369134	290.404	ROIFFNKWTBEGPQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051886
O=C(NC1CC(n2c1ncc2)C)NCC1CCCC1(C)C	EMOLS-id_101476241	290.404	ASXFFDNWIRNWKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051887
O=C(NC1CC(n2c1ncc2)C)NC(C1CCCCC1)C	EMOLS-id_101377117	290.404	JTJUBUZWYWALFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051888
O=C(NC1CC(n2c1ncc2)C)NCC1CCCCC1C	EMOLS-id_101436720	290.404	YUCIXKGSNCFDBB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051889
O=C(NC1CC(n2c1ncc2)C)NCC1(C)CCCCC1	EMOLS-id_101366896	290.404	AXCXFZCXWUJRAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051890
O=C(NC1CC(n2c1ncc2)C)NCC(C1CCC1)(C)C	EMOLS-id_101421213	290.404	BOPCIEFGCKMGDL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051891
O=C(NC1CC(n2c1ncc2)C)NCCC1CCCCC1	EMOLS-id_101394049	290.404	OWHHWZSNCAAMLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051892
O=C(Nc1nc2c(s1)CCC2)c1cc2c(s1)CCC2	EMOLS-id_48769251,PC-id_75413259,MCULE-5628027655,ZINC22_52397336	290.404	YVLBQQSUSGGGJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051893
O=C(Nc1n(C)nc2c1CCC2)CC(C1CCCNC1)C	PC-id_119822844,MCULE-5245047858,EMOLS-id_302172040	290.404	CIGRPBXQTARJSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051894
O=C(Nc1n(C)nc2c1CCC2)CC(C1CCNCC1)C	EMOLS-id_302173576,MCULE-3932044201,PC-id_119822856	290.404	NDQJMWWQPJCIRJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051895
O=C(Nc1sc2c(n1)CCC2)Cc1ccc(cc1)S	PC-id_107025676	290.404	QYSBMRZRWOEIJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051896
O=C(N(CC1CCCCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101436600	290.404	LJECLDAXOBXSON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051897
O=C(NC(c1n2CCCc2nn1)C)CCC1CCCCC1	PC-id_53516626,MCULE-3713121389,EMOLS-id_35706324	290.404	CDPFYKNVDNCKML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051898
s1c2CCCc2cc1C(=O)NN=C(c1sccc1)C	PC-id_85015500	290.404	KYLIHKIXSJUURU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-051899
s1c2CCCc2cc1C(=O)NN=Cc1sccc1C	PC-id_85015534	290.404	NXSWFVLBXGAZPY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-051900
s1c2CCCc2cc1C(=O)NN=Cc1sc(cc1)C	PC-id_85015565	290.404	MQKJBTVTPREKJS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-051901
s1c2CCCc2cc1C(=O)N/N=C(c1sccc1)/C	PC-id_9462489	290.404	KYLIHKIXSJUURU-DHDCSXOGSA-N	00000010100100000000000010000000000000000000000000000000	25-01-051902
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCC1)C#N	PC-id_4255915	290.404	KPLSQHSAPPJSKW-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-051903
Sc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_107025684	290.404	YPGUMKWDHFUTPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051904
NCCCN(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_114140902	290.406	UOFMCQNFUJHQSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051905
Cc1nc(Nc2sc3c(n2)CCC3)cc(c1)C(=S)N	PC-id_114767418	290.407	NJHCFCCXIJMOBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051906
C=CCCCN(C(=NCc1nnc2n1CCC2)NCC)C	PC-id_109496670	290.407	LMDHJMJIVLXIAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051907
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)(C)C	PC-id_111738522	290.407	VVKQXIFLFLSZMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051908
CCNC(=NCc1nnc2n1CCC2)N1CCCC(C1)C	PC-id_111145024	290.407	YZCHLTMWQPKWLX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051909
CCNC(=NCc1nnc2n1CCC2)N1CCC(CC1)C	PC-id_111210449	290.407	KWQQGDXUTWYZAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051910
CCNC(=NCc1nnc2n1CCC2)NC1CCCCC1	PC-id_110959115	290.407	LNZGULHSSPXREK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051911
CN=C(N1CC(C1(C)C)(C)C)NCc1nnc2n1CCC2	PC-id_109452973	290.407	SDCPXUPCRZDLSP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051912
CN=C(N1CCC(C1)(C)CC)NCc1nnc2n1CCC2	PC-id_120064081	290.407	YESGTMDNWIDAIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051913
CN=C(N1CC(C)CC(C1)C)NCc1nnc2n1CCC2	PC-id_111153092	290.407	GBHCWTVHQOEFRW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051914
CN=C(NC1CCC(CC1)C)NCc1nnc2n1CCC2	PC-id_111256391	290.407	MAERIJWGMKZFDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051915
CN=C(NCc1nnc2n1CCC2)NCC1(CC)CCC1	PC-id_109469818	290.407	YFHYDEPIGWIMPO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-051916
N#Cc1c(C)nsc1NCCc1sc2c(n1)CCC2	EMOLS-id_318484644,MCULE-7945951793	290.407	BPJPLQNKNNMVDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051917
s1c2CCCc2nc1Nc1nc(ccc1C(=S)N)C	PC-id_61656025	290.407	WOJJFDSCFSNILN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051918
s1c2CCCc2nc1Nc1nccc(c1C(=S)N)C	PC-id_81730846	290.407	GNEWZYWFOWQPLF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-051919
S1c2n(CC1)cc(n2)C[NH2+]Cc1c(nn(c1)CC=C)C	PC-id_52384905	290.407	KJGUOAAZENWRIK-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-051920
CCc1cc(n(n1)CC)CC(c1sc2c(c1)CCC2)O	PC-id_115815493	290.424	GXVJRWQVPRGZSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051921
CC(=CC1C(C1(C)C)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_45860236,MCULE-9819912782,EMOLS-id_29671952	290.424	MAFXNZDMVZTCFP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051922
CC(=C[C@@H]1[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C)C	CoCoCo_4355797,PC-id_33041017,ZINC22_25769311	290.424	MAFXNZDMVZTCFP-MFKMUULPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051923
CC(=C[C@H]1[C@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C)C	CoCoCo_4355798,PC-id_33041020,ZINC22_25769314	290.424	MAFXNZDMVZTCFP-GXFFZTMASA-N	00100010100000000001000010000000000000000000000000000000	25-01-051924
CC(=C[C@H]1[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C)C	CoCoCo_4355799,PC-id_33041018,ZINC22_25769312	290.424	MAFXNZDMVZTCFP-GWCFXTLKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051925
CC(=C[C@@H]1[C@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C)C	ZINC22_25769313,CoCoCo_4355796,PC-id_33041019	290.424	MAFXNZDMVZTCFP-ZWNOBZJWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-051926
CCC(C(=O)Nc1sc2c(c1C#N)C(CC2C)C)CC	SCHEMBL2648400,PC-id_10039886	290.424	IOYJNZCLRGVPEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-051927
CCC(n1ccc(n1)CC(c1sc2c(c1)CCC2)O)C	PC-id_115806311	290.424	ANIUTMGOBVVCAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051928
C/C=Nc1sc2c(c1C(=C)NC1CCOCC1)CCC2	PC-id_144415439	290.424	ULQXGGZHMAFUPS-YPEHOIGNSA-N	00000010100010000000000010000000000000000000000000000000	25-01-051929
C=CN=C(c1c(N)sc2c1CCC2)OC1CCCCC1	PC-id_144415468	290.424	CZXPOZPNQRYOOA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-051930
O=C(N(C1CC1)CC1CCCN1)c1sc2c(c1)CCC2	PC-id_104974103	290.424	JIBWKNVLQBAVLG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-051931
O=C(NC1CCN(C2CC2)CC1)c1cc2c(s1)CCC2	ZINC22_98005584,MCULE-2686740269,EMOLS-id_316825926,PC-id_72028380	290.424	ONJAJVXZJJMAKN-UHFFFAOYSA-N	00100010100010000000100010000000000000000000000000000000	25-01-051932
s1c2CCCc2cc1C(=O)NN=C1CCCCCCC1	PC-id_9462493	290.424	CEWCHCFYCZWMNS-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-051933
s1c(C(=O)N2C(C3NCCC3)CCC2)cc2c1CCC2	PC-id_62273372	290.424	CYNRRJLKZLRCIZ-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-051934
CC1CC(c2n1ccn2)NCc1cnc(s1)C(C)(C)C	EMOLS-id_318297964,MCULE-9951344037	290.427	PBSHNIWFPGSTRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051935
CC1CC(c2n1ccn2)NCc1csc(n1)C(C)(C)C	EMOLS-id_318021455,MCULE-4959357863	290.427	QNSLGFYXTULLEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051936
CC1CC(c2n1ccn2)NCc1ncc(s1)C(C)(C)C	EMOLS-id_318324287,MCULE-2217940666	290.427	UPAMIJABXDEDLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051937
Cc1sc(nc1C)C(NCc1cnc2n1CCC2)(C)C	EMOLS-id_318390532,MCULE-6774714108	290.427	OFBMUYIZEXPHMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051938
CCc1cc(n(n1)C)CC(c1sc2c(c1)CCC2)NN	PC-id_105317102	290.427	ZQVSBRMFFGWXCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051939
CC(c1csc(n1)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318362937,MCULE-9756614573	290.427	LNVQCJQKVGOPDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051940
CC(c1csc(n1)CCNC1CCn2c1ncc2)(C)C	EMOLS-id_318085114,MCULE-3037107996	290.427	XRCOFPMMMNGOIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051941
CC(c1csc(n1)CNCc1cnc2n1CCC2)(C)C	EMOLS-id_318217498,MCULE-6198959522	290.427	QKYITFNQGQPWGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051942
CCc1nc(c(s1)C(NC1CC(n2c1ncc2)C)C)C	MCULE-6802278479,EMOLS-id_318160217	290.427	IGLPCGIQTNWYMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051943
CC(c1scc(n1)C(C)(C)C)NC1CCn2c1ncc2	EMOLS-id_318746190,MCULE-7742746058	290.427	RNGWBCGKXUQXMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051944
CC(c1scc(n1)CCNC1CCn2c1ncc2)(C)C	MCULE-3254523768,EMOLS-id_318147805	290.427	NZWJBFYNLWEBOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051945
CCCn1ccnc1CC(c1sc2c(c1)CCC2)NN	PC-id_105323358	290.427	XKQMBJGYMQDCLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051946
CC(Cn1ncnc1CC(c1sc2c(c1)CCC2)N)C	PC-id_104999911	290.427	FRJYYAIDQRXTSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051947
CCCn1ncnc1CC(c1sc2c(c1)CCC2)NC	PC-id_105002917	290.427	SLYPKCOYJKIDDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051948
CCCNC(c1sc2c(c1)CCC2)Cc1ncnn1C	PC-id_104997631	290.427	GYFREDCJJAVAMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051949
CCCNC(c1sc2c(c1)CCC2)Cc1nnn(c1)C	PC-id_107064133	290.427	NMEWADSRWZLEPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051950
CCCNC(c1sc2c(n1)CCC2)c1cnn(c1)CC	PC-id_103570196	290.427	KLWPPKNVMIDROZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051951
CCn1ncc(c1)C(c1sc2c(n1)CCC2)NC(C)C	PC-id_103570204	290.427	AZWVONZBNBRESU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051952
CC(n1ncc(c1)CNCc1sc2c(n1)CCC2)(C)C	MCULE-9564133908,EMOLS-id_318592491	290.427	NLEULEWBBJOUFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051953
CC(n1nnc(c1)CNCc1sc2c(c1)CCC2)(C)C	PC-id_103398970	290.427	UIUZWKKSDLGJOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051954
CCNC(c1cn(nc1CC)C)c1sc2c(n1)CCC2	PC-id_115990380	290.427	PDTAKTVGHDAMSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051955
CCNC(c1cnnn1CCC)c1sc2c(c1)CCC2	PC-id_105038924	290.427	ORCJKBHIABXUCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051956
CCNC(c1sc2c(c1)CCC2)Cc1ncnn1CC	PC-id_105002263	290.427	IZEYIOCJOZUKJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051957
CCNC(c1sc2c(n1)CCC2)c1cnn(c1)CCC	PC-id_103572498	290.427	AKEFIDOBFSBVJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051958
CCNC(c1sc2c(n1)CCC2)c1cnn(c1)C(C)C	PC-id_108386594	290.427	FVMDMVNHXPOWOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051959
CNC(c1sc2c(c1)CCC2)Cc1ncnn1C(C)C	PC-id_104999447	290.427	GYXKPTNZDTVMMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051960
N#CC1(C)CCC(CC1)NCCc1nc2n(c1)CCS2	EMOLS-id_101234632	290.427	LTBWVQUSWABCHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051961
NNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C(C)C	PC-id_105312711	290.427	HPJZSRZOUIBSGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051962
NNC(c1sc2c(c1)CCC2)Cc1cc(nn1CC)C	PC-id_105318975	290.427	NAWKXMTYCBELMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051963
s1c2c(CCC2)cc1CNCc1n(c(N(C)C)nc1)C	PC-id_64010204	290.427	FODDXONHRZXHNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051964
s1c2c(CCC2)cc1CNCc1n(ncn1)CC(C)C	PC-id_65607813	290.427	SOOLVOYRCOYKHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051965
s1c2CCCc2nc1C(N)c1c(nn(c1)C)C(C)(C)C	PC-id_83091251	290.427	LFOBQNYFIAHLBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051966
s1c2CCCc2nc1C(NCC)c1c(n(nc1C)C)C	PC-id_61332394	290.427	VMYRNHGGMFIKLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051967
s1c2CCCc2nc1C(NCC)c1n(CCC)cnc1	PC-id_66132421	290.427	OAVNEKRIXVNJDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051968
CC(c1n[nH]c2CCCc12)c1cccc(Br)c1	EMOLS-id_337935640	291.186	FIUZTWIKPFWRIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052125
s1c2CCCc2nc1C(NCC)c1n(C(C)C)cnc1	PC-id_66164819	290.427	HOBCMAKEUBCPIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051969
s1c2CCCc2nc1C(NCCC)c1c(n(nc1)C)C	PC-id_79583532	290.427	JJEODHICWVYLRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051970
s1c2CCCc2nc1C(NC(C)C)c1c(n(nc1)C)C	PC-id_79584000	290.427	SVHLQMGFHMJTDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051971
s1c2CCCc2nc1C(NCCC)c1c(nn(c1)C)C	PC-id_83090394	290.427	UNUYTZUCVQIJRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051972
s1c2CCCc2nc1C(NC(C)C)c1c(nn(c1)C)C	PC-id_83091458	290.427	CBWYLGSOOLBDPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051973
s1c2CCCc2nc1C(NCCC)c1n(CC)cnc1	PC-id_66132879	290.427	WJYUCZPAZJSWHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051974
s1c2CCCc2nc1C(NC(C)C)c1n(CC)cnc1	PC-id_66133505	290.427	YMFXMDZVOHEHNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051975
s1c(c(C(NC(c2n3CCCc3nn2)C)C)cc1C)C	PC-id_43748031	290.427	PXAHPYOCWYFZFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051976
s1c(C(NC(c2n3CCCc3nn2)C)C)ccc1CC	PC-id_61335546	290.427	NUVHRGIBUOISJG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051977
s1c(C(NC(c2n3CCCc3nn2)C)C(C)C)ccc1	PC-id_43791498	290.427	UFCPJWUKXDMNOS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-051978
s1c2CCCc2cc1C(=O)c1sc(C(C)(C)C)cc1	PC-id_81633450	290.444	GLIOBZCYEAZCCO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-051979
CC1CCCC(C1)(CNC1CC(n2c1ncc2)C)N(C)C	EMOLS-id_318287040,MCULE-5229603206	290.447	FJKSWTKCSUYLNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051980
CC1CC(C)CN(C1)C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_318158295,MCULE-4767982237	290.447	NMECYZONKDOHOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051981
CC1CCCN(C1)C(CNC1CC(n2c1ncc2)C)(C)C	MCULE-8585270364,EMOLS-id_318179220	290.447	GSCCHZIQZLQQCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051982
CC(c1cc2n(n1)CCC2)NCC1N(C)CCCC1(C)C	MCULE-2077718933,EMOLS-id_318304519	290.447	OWKNGWOKXJOHBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051983
CC(c1nnc2n1CCC2)NC1CCC(CC1)C(C)(C)C	MCULE-6404109743,PC-id_43748072,EMOLS-id_318178236	290.447	YZLYUUZYNMFIOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051984
CC(c1nnc2n1CCC2)NC1CC(C)(C)CC(C1)(C)C	PC-id_115998808	290.447	VXGQCBUESWIIFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051985
CC(CC1CCCC(C1)NC(c1nnc2n1CCC2)C)C	PC-id_107428247	290.447	WTFVFHXZUBYFJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051986
CC(C[C@H](NC1CC(n2c1ncc2)C)CN1CCCC1)C	EMOLS-id_318178162	290.447	OWCCJSYAENASEC-PCKAHOCUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-051987
CC(NC1CC(n2c1ncc2)C)CN1CC(C)CC(C1)C	EMOLS-id_318228447,MCULE-4139020234	290.447	YQUGXBOPFGTKJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051988
N(C1C(CCC(C1)C)C(C)C)C(c1n2CCCc2nn1)C	PC-id_43748080	290.447	AIXCCVLADAXENU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051989
N(C1CCC(CCC1)C(C)C)C(c1n2CCCc2nn1)C	PC-id_65091494	290.447	GOEIHXWGYYMGMN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051990
N(C1CCC(CCC1)CCC)C(c1n2CCCc2nn1)C	PC-id_65091540	290.447	XFKGVGFCHNYEPU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-051991
N(C1C(C(C)(C)C)CCCC1)C(c1n2CCCc2nn1)C	PC-id_43748077	290.447	BVJNVBQSEDWGDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-051992
s1c2CCCc2nc1C(NC)c1ccc(SC)cc1	PC-id_61332356	290.447	AIZKXNWTCJSRDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-051993
s1c(nc2c1CCC2)C(NC1CC1)c1sccc1C	PC-id_61345182	290.447	SNDOIPBFYOXTFX-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-051994
s1c(nc2c1CCC2)C(NC1CC1)c1sc(cc1)C	PC-id_61345800	290.447	KGURQOMTROADDV-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-051995
CC1CC(CN1C1CC1)NC(c1sc2c(c1)CCC2)C	MCULE-9816678956,EMOLS-id_53766516,PC-id_119033215	290.467	COGVIGNXRLVBQL-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-051996
C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1cc2c(s1)CCC2	ZINC22_166286363	290.467	COGVIGNXRLVBQL-DYEKYZERSA-N	00100010100000000000100010000000000000000000000000000000	25-01-051997
C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1cc2c(s1)CCC2	ZINC22_166286487	290.467	COGVIGNXRLVBQL-OBJOEFQTSA-N	00100010100000000000100010000000000000000000000000000000	25-01-051998
C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc2c(s1)CCC2	ZINC22_166286612	290.467	COGVIGNXRLVBQL-MBNYWOFBSA-N	00100010100000000000100010000000000000000000000000000000	25-01-051999
C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)c1cc2c(s1)CCC2	ZINC22_166286739	290.467	COGVIGNXRLVBQL-SGMGOOAPSA-N	00100010100000000000100010000000000000000000000000000000	25-01-052000
CN=C(c1c(C)sc2c1CCC2)NC1CCC(CC1)C	PC-id_144415494	290.467	TWNFIEYIJJTKKP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052001
s1c(CNC2C(C3NCCC3)CCC2)cc2c1CCC2	PC-id_79536909	290.467	ICQCDVMOGSTKKH-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-052002
s1c(nc2c1CCC2)C(NC1CC1)(C1CCCCC1)C	PC-id_61333710	290.467	QQRXQDYWILLFCL-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-052003
s1c(nc2c1CCC2)C(NC1CC1)C1CCC(CC1)C	PC-id_65905614	290.467	QADARYBZTPJRAF-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-052004
s1c(nc2c1CCC2)C(NC1CC1)C1CC(CCC1)C	PC-id_65923714	290.467	BBHZQBHLZTWLGL-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-052005
s1c(nc2c1CCC2)C(NC1CC1)C1CCCCCC1	PC-id_65912680	290.467	IUBAJFBWRGHHEB-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-052006
s1c(nc2c1CCC2)C(NC1CC1)CC1CCCCC1	PC-id_80400867	290.467	UZDDTXYUHUMNBY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-052007
C=CCC/C(=C([Si](C)(C)C)/c1occ2c1CCC2)/OC	PC-id_101516298	290.473	VFIHEYPYTMTTPH-BMRADRMJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052008
CCCCC1=C(c2c(scc2C1)CCCC)CCCC	PC-id_90910352	290.507	VHRGDZHZCVTKCH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-052009
CCCCCCC1=Cc2c(C1)cc(s2)CCCCCC	SCHEMBL2631482,PC-id_67477563	290.507	ZBRVRUAEMNLHOF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-052010
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2Cl)n1	EMOLS-id_330988785,MCULE-5564644796	290.745	ZYZWFNIKLMLLIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052011
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)Cl)n1	MCULE-5057380675,EMOLS-id_330985971	290.745	KOTPHOLIAHTDIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052012
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1Cl	MCULE-6367163134,EMOLS-id_330967741	290.745	VPDMPWUYIRGIAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052013
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)Cl	MCULE-7143308268,EMOLS-id_330969022	290.745	KMTHEZMGKLBTNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052014
Clc1cc(Cc2n(c3CCC(c3n2)C(=O)O)C)ccc1	PC-id_84010978	290.745	DAGHOKPTBNMXQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052015
Clc1ccc(cc1)CNC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1003886,PC-id_59180219	290.745	ACAABGRFBKRKRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052016
Clc1ccc(Cc2n(c3CCC(c3n2)C(=O)O)C)cc1	PC-id_84010986	290.745	UNANHBWXMFVSGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052017
O=C(c1occ2c1CCC2)NCc1ccc(c(c1)N)Cl	EMOLS-id_318875280	290.745	NNWJXNVLUKPIIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052018
Cc1cc(C)c(c(c1)Cl)NC(=O)N1CCn2c1ncc2	EMOLS-id_320098354,MCULE-4603143012	290.748	AKDVRGRODCLOSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052019
Cc1cc(CNC(=O)c2n[nH]c3c2CCC3)cc(n1)Cl	EMOLS-id_278370617	290.748	IVHGQFUXYWJNTC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052020
C[C@H](NC(=O)c1cc2n(n1)CCC2)c1ccc(Cl)cn1	ZINC22_582766314,EMOLS-id_316882028,MCULE-8397889496	290.748	GEFLOJLWMNGEPP-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-052021
CCNc1ccc(cc1C(=O)N1CCn2c1ccn2)Cl	EMOLS-id_318114105	290.748	SZUIPQXKUJEGIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052022
Clc1ccc(cc1)CN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_320057927,MCULE-7149733757	290.748	JKNSLFPZTHCXJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052023
Clc1cccc(c1)NCC(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318352238,MCULE-5525810031	290.748	XNLSEJNORAAKIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052024
Clc1ccc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_51308005	290.748	NSUOCYRWBARHFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052025
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1	PC-id_52548017,EMOLS-id_318402582	290.748	OUZMUUYHGVZSSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052026
CNc1ccc(c(c1)Cl)C(=O)NC1CCn2c1ncc2	EMOLS-id_319241417	290.748	ZDJFFAWJLXLPJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052027
O=C(c1cnc2n1CCC2)NCc1ccc(c(c1)N)Cl	EMOLS-id_319072340	290.748	AWZMERMKHGRXPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052028
O=C(C1NCc2c1c[nH]n2)NC(c1ccc(cc1)Cl)C	EMOLS-id_318976226	290.748	YGZHVQZPNXEVBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052029
O=C(C1NCc2c1c[nH]n2)NC(c1cccc(c1)Cl)C	EMOLS-id_319507743	290.748	VDJMERIEWRZWQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052030
O=C(c1n[nH]c2c1CCC2)NCc1ccc(c(c1)N)Cl	EMOLS-id_319911223,MCULE-2106231669	290.748	PINRNCMFGKOPLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052031
O=C(Cc1ccc(Cl)cc1)NCc1nnc2n1CCC2	PC-id_32155081,CoCoCo_4474359,MCULE-4446564905,ZINC22_24839027,EMOLS-id_18853699	290.748	WGQJVSNWERHOJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052032
O=C(N1Cc2c(C1)cnn2C)CNc1ccccc1Cl	EMOLS-id_318250872,MCULE-2138232313	290.748	JMFIKCJQRIZMHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052033
O=C(NCCc1nnc2n1CCC2)c1cccc(Cl)c1	PC-id_53518600,ZINC22_65604899,EMOLS-id_35706154,MCULE-3047192196	290.748	ZIZORYNCAZHNAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052034
O=C(NCCc1nnc2n1CCC2)c1ccc(Cl)cc1	EMOLS-id_31868024,MCULE-2931440671,ZINC22_40481380,PC-id_45802745,CoCoCo_4499618	290.748	ZPCYXZAZMHKYCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052035
N#Cc1cnc(c(c1)Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318421321,MCULE-2600820380	290.771	MLQMJUIXYHIFPL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052036
N#Cc1nc(NCc2sc3c(n2)CCC3)ccc1Cl	EMOLS-id_318397618,MCULE-8448708029	290.771	WZWRAVSWRWDXSN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052037
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)OCC	MCULE-4630945622,EMOLS-id_330973938	290.788	DJUNCUOFGRUROM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052038
CC1CCc2c1c(CO)nn2Cc1cc(C)ccc1Cl	EMOLS-id_331006203,MCULE-9350649361	290.788	VVGHYVCTUBQBJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052039
CC1CCc2c1c(CO)nn2Cc1c(C)cccc1Cl	EMOLS-id_331009786,MCULE-2120237668	290.788	RXOIIXRBXBWBGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052040
CC1CCc2c1c(CO)nn2Cc1cccc(C)c1Cl	EMOLS-id_331010042,MCULE-9627411124	290.788	CDYMSOHORIOPMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052041
CC1CCc2c1c(CO)nn2Cc1ccc(C)cc1Cl	MCULE-5693967477,EMOLS-id_331009530	290.788	MMTVYFSHLMTAGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052042
CC1CCc2c1c(CO)nn2Cc1ccc(C)c(Cl)c1	EMOLS-id_331007995,MCULE-8039774108	290.788	HYYGIRABMNHGLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052043
CC1CCc2c1c(CO)nn2Cc1cc(C)cc(Cl)c1	EMOLS-id_331008507,MCULE-2101143068	290.788	ZIPWZPGEPAPXRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052044
CC1CCc2c1c(CO)nn2Cc1cccc(Cl)c1C	MCULE-4055335240,EMOLS-id_331008251	290.788	QLFZRIYYAVIXKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052045
CC1CCc2c1c(CO)nn2Cc1ccc(Cl)cc1C	MCULE-2153069222,EMOLS-id_331006716	290.788	GMCVHKWFVPWXKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052046
CC1CCc2c1c(CO)nn2Cc1ccc(Cl)c(C)c1	EMOLS-id_331006972,MCULE-6598577514	290.788	NWESOTYUIULDLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052047
CC1CCc2c1c(CO)nn2Cc1cc(Cl)ccc1C	EMOLS-id_331008763,MCULE-1007060220	290.788	ABESUCVYATVVBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052048
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(CO)c12	EMOLS-id_330992309,MCULE-2786006851	290.788	XENRKVFLSRTJNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052049
CC1CCc2nn(Cc3c(C)cccc3Cl)c(CO)c12	EMOLS-id_330992565,MCULE-3594402898	290.788	ZFTMHARPRIDKFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052050
CC1CCc2nn(Cc3cccc(C)c3Cl)c(CO)c12	EMOLS-id_330992821,MCULE-4068387043	290.788	RQZUBYRCQDQSDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052051
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(CO)c12	MCULE-1558175131,EMOLS-id_330993077	290.788	LRBNFVMZBOAXFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052052
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(CO)c12	EMOLS-id_330991286,MCULE-5738577649	290.788	KJBPDCXVMDHWAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052053
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(CO)c12	MCULE-9483878107,EMOLS-id_330990774	290.788	ZHJHWJKRLBSMTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052054
CC1CCc2nn(Cc3cccc(Cl)c3C)c(CO)c12	MCULE-6337524015,EMOLS-id_330991030	290.788	VDKZCPVMRPGZRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052055
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(CO)c12	MCULE-3728544877,EMOLS-id_330993590	290.788	ROPRSXGILCCXRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052056
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(CO)c12	MCULE-7962826254,EMOLS-id_330989751	290.788	PWVOSEASSHGQEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052057
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(CO)c12	MCULE-1760114563,EMOLS-id_330991542	290.788	XJRKRJIWWIUDCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052058
CCc1cc(Cn2nc3CCC(C)c3c2O)ccc1Cl	MCULE-7332684866,EMOLS-id_331007649	290.788	GJODAIZLQDLGRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052059
CCc1cc(Cn2nc(O)c3C(C)CCc23)ccc1Cl	EMOLS-id_330957300,MCULE-1437971695	290.788	LTPFIQKHLBEDPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052060
CCOc1ccccc1Cn1nc2CCC(C)c2c1Cl	MCULE-5365216848,EMOLS-id_331021999	290.788	SOAIEOCYDWMFDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052061
CCOc1ccccc1Cn1nc(Cl)c2C(C)CCc12	MCULE-8479169496,EMOLS-id_330975475	290.788	UHHJDJHYIFECOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052062
CCOc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1	MCULE-7391876671,EMOLS-id_331020462	290.788	GQVTZAJDUKLECA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052063
Clc1ccc(cc1)Cn1c(nc2c1C(O)CC2)C(C)C	SCHEMBL2516966,PC-id_58460144	290.788	XUSUNTUWBHZGRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052064
COc1ccccc1C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330957754,MCULE-4751387758	290.788	ZZSWNFZWXGNTMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052065
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958006,MCULE-4836126802	290.788	ODFNQSBSRINNNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052066
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960824,MCULE-7747072246	290.788	USSQHCFQQCMVKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052067
COc1ccccc1Cn1nc2CCC(C)c2c1CCl	MCULE-7526288008,EMOLS-id_331009205	290.788	AVNLQGDAGSBOBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052068
COc1ccccc1Cn1nc(CCl)c2C(C)CCc12	EMOLS-id_331025163,MCULE-3375972059	290.788	QTQNABHYYACLAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052069
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_331022255,MCULE-1478429230	290.788	XLVCESIIRZUMIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052070
COc1ccc(C)cc1Cn1nc(Cl)c2C(C)CCc12	EMOLS-id_330975731,MCULE-5858421212	290.788	XMKMYMHPBJGHMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052071
COc1ccc(C)c(Cn2nc3CCC(C)c3c2Cl)c1	MCULE-5517703463,EMOLS-id_330958260	290.788	NZNNRKTYMZHCDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052072
COc1ccc(C)c(Cn2nc(Cl)c3C(C)CCc23)c1	EMOLS-id_330977271,MCULE-1604667743	290.788	JSBHKNPNPFTVNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052073
COc1cccc(Cn2nc3CCC(C)c3c2CCl)c1	MCULE-1311134252,EMOLS-id_331006132	290.788	GCTOHHPRZGDBIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052074
COc1cccc(Cn2nc3CCC(C)c3c2Cl)c1C	MCULE-6466541516,EMOLS-id_330958004	290.788	LLVAJHGZNHEBSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052075
COc1cccc(Cn2nc(CCl)c3C(C)CCc23)c1	MCULE-2998573317,EMOLS-id_331026185	290.788	KELWTNIOUSPKCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052076
COc1cccc(Cn2nc(Cl)c3C(C)CCc23)c1C	EMOLS-id_330977015,MCULE-4941393519	290.788	WWTKAXOUJLLDJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052077
COc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1	EMOLS-id_331008689,MCULE-6693421399	290.788	YWCCDGAHHUGDDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052078
COc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1C	EMOLS-id_331021483,MCULE-6829055945	290.788	QFZYEFUHJZUALL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052079
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1	MCULE-5050506718,EMOLS-id_331024647	290.788	GVPFDNSDHXKGIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052080
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)cc1C	EMOLS-id_330970879,MCULE-3536214089	290.788	NVPHLWKWXVWEFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052081
COc1cc(Cn2nc3CCC(C)c3c2Cl)ccc1C	MCULE-4383215262,EMOLS-id_331018926	290.788	UVXRMLKOVGBOEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052082
COc1cc(Cn2nc(Cl)c3C(C)CCc23)ccc1C	EMOLS-id_330976497,MCULE-1878160883	290.788	BCWSJPVGFLNPAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052083
COCc1ccccc1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330958516,MCULE-9829351351	290.788	KKFXYRDKJSLLHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052084
COCc1ccccc1Cn1nc(Cl)c2C(C)CCc12	MCULE-1976135272,EMOLS-id_330973432	290.788	RCAFLSJIWPGCBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052085
ClCCS(=O)(=O)Nc1sc2c(c1C#N)CCC2	PC-id_107650850	290.79	BLPKIOIQVHGPIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052086
Cc1ccc(c(c1)Cl)CNC(c1nnc2n1CCC2)C	MCULE-4774492803,EMOLS-id_317942124	290.791	HGQZXFRHBFUXEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052087
Cc1cc(CNC(c2nnc3n2CCC3)C)cc(c1)Cl	MCULE-5821627019,EMOLS-id_317965939	290.791	BXUGULBZGLTYKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052088
CC(c1nnc2n1CCC2)NCc1cccc(c1C)Cl	EMOLS-id_318588701,MCULE-9176512563	290.791	LYZGKSDZJMMLSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052089
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)Cl)C	PC-id_106816550,EMOLS-id_317962060,MCULE-2276799040	290.791	ZBHZBFNSXBMGPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052090
Clc1ccc(cc1C)CCNC1CC(n2c1ncn2)C	MCULE-8035396637,EMOLS-id_318469966	290.791	ZYJALMPNMNEZDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052091
Clc1ccc(c(c1)C)CNC(c1nnc2n1CCC2)C	MCULE-5982100436,PC-id_104853924,EMOLS-id_317934517	290.791	KAWGWEWGSYUNOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052092
Clc1ccc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_43748093	290.791	JYIQWGCRECKBRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052093
Clc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1	PC-id_43748103	290.791	PIZULNQXCFWNJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052094
Clc1c(C(NC(c2n3CCCc3nn2)C)C)cccc1	PC-id_43748107	290.791	HTCRMUCBNCHZBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052095
Cc1ccc(c(c1)Cl)CC(=O)c1sc2c(c1)CCC2	PC-id_113886684	290.808	WGYGLVKNVCYUMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052096
Clc1cc(C)c(cc1C(=O)c1sc2c(c1)CCC2)C	PC-id_113319353	290.808	QABAVDSRJRATIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052097
Clc1c(cc(C(=O)c2sc3CCCc3c2)c(c1)C)C	PC-id_64213281	290.808	BSKIFFNJGLRRBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052098
ClC1c2[nH]c(NC3C(C3)c3ccccc3)cc2SC1	SCHEMBL14880943,PC-id_9922066	290.811	NEWIQYNXQWBYAO-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-052099
ClC(c1sc2c(CCC2)c1)c1c(cc(cc1C)C)C	PC-id_63431678	290.851	NKVJGGIKVQYMLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052100
ClC(c1sc2c(CCC2)c1)c1ccc(C(C)C)cc1	PC-id_63434602	290.851	HCEJVOUXXUBCAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052102
ClC(c1sc2c(CCC2)c1)Cc1cc(c(cc1)C)C	PC-id_63520387	290.851	ZKCMPDPMIYQZTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052103
ClC(c1sc2c(CCC2)c1)Cc1c(ccc(c1)C)C	PC-id_63542689	290.851	SSYMJVQNYJSYJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052104
CN(C(=O)C1(CN2C=NC=C2S1)Br)OC	PC-id_154975822	290.968	OLNXANVNKHXLSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052105
C1CC2=COC(=C2C1)C(=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_154780000	291.057	RMLOZJAHPFDOHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052106
CC1=NN2CCN(C2=C1C(=O)O)CC3=CC=CC=C3Cl	PC-id_160251427	291.077	KCEOHSGXXAFOIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052107
CC(C)(C)n1nc2CNCc2c1I	EMOLS-id_324343395,MCULE-7115266825	291.132	UDZPPFGVUASTRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052108
CC(N1CCn2c1cc(n2)I)(C)C	SCHEMBL19454340	291.132	BDTKFFMWMOZIMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052109
CC1CCc2c1c(Br)nn2CC1CC1(F)F	MCULE-5870705363,EMOLS-id_330965757	291.135	PFXYFFRUWVVOKB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052110
CC1CCc2nn(CC3CC3(F)F)c(Br)c12	EMOLS-id_331017385,MCULE-3781794827	291.135	XOKUBYMLJNUNKE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052111
CC1=CC=C(CC1)Cn1c(=O)n2[C@@H](CCc2n1)C(O)OC	PC-id_163727174	291.158	KWOZNKOULPCSFB-NBFOIZRFSA-N	00000010100011000001000010000000000000000000000000000000	25-01-052112
CC(CC(=C)C)C(=O)NC1=C(N2CCCC2=N1)C(=O)OC	MCULE-2241731398,EMOLS-id_257943448,PC-id_154765852	291.158	MMPZPLCWSZPRBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052113
BrCCCC(=O)Nc1n2CCSc2nn1	PC-id_44007665	291.168	FERZEPKPMLMOKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052114
[B](C)C1=C(C(=NC=C1)N(C#N)N2C=CC3=C2CC(C3)(C)C)C	PC-id_154693245	291.178	DGYDOZIGVRAAIO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-052115
c12C(C)CCc1n(nc2Br)Cc1ccccc1	MCULE-4469665467,EMOLS-id_330969080	291.186	YTJGQRHYHDVCNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052116
c12C(C)CCc1nn(Cc1cccc(Br)c1)c2	MCULE-8277935426,EMOLS-id_331001000	291.186	BZONGPWUXIOUKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052117
c12C(C)CCc1nn(Cc1ccccc1Br)c2	MCULE-4001461759,EMOLS-id_330998697	291.186	DWSQATQJHBBTKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052118
c12C(C)CCc1nn(Cc1ccc(cc1)Br)c2	MCULE-8960261728,EMOLS-id_330999720	291.186	NHBMBMHGCAGHQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052119
CC1CCc2c1cnn2Cc1ccc(Br)cc1	MCULE-4021708546,EMOLS-id_331017962	291.186	CLFUUVPXXDXWGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052120
CC1CCc2c1cnn2Cc1cccc(Br)c1	EMOLS-id_331015147,MCULE-7505151916	291.186	XOCOPMFTLVVFSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052121
CC1CCc2c1cnn2Cc1ccccc1Br	MCULE-3878687033,EMOLS-id_331016939	291.186	FBAQGRVCYGSUHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052122
CC1CCc2nn(Cc3ccccc3)c(Br)c12	MCULE-8417916329,EMOLS-id_331016613	291.186	DVGHAGKSLQJUMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052123
CC(c1n[nH]c2CCCc12)c1ccc(Br)cc1	EMOLS-id_337932824	291.186	FQSMOOQWWPCSLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052124
O=C([C@]1(C)CC1(Cl)Cl)Nc1sc2c(n1)CCC2	GD-id_ZINC48398696	291.197	LIQWAMPYIHXGBK-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-052126
C[C@H]1CN([C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2)C)C	PC-id_163535776	291.206	DWVKSRLTKLVMDZ-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-052127
c12CN(Cc1nn(CC(F)(F)F)c2C=O)C(=O)OCC	MCULE-3177079753,EMOLS-id_324349287	291.226	XSGKFJOBAUGAHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052128
BrCc1cc2c(s1)C(N(C2(C)C)[OH2+])(C)C	PC-id_144269898	291.228	HHBQEPJQVCIOAM-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-052129
C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NNC(=O)N	PC-id_137741734	291.23	ITHDOUOFVGLCFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052130
Fc1c(C(=O)c2n3CCC(c3cc2)C(=O)O)c(F)ccc1	PC-id_13487064,CHEMBL267731	291.25	GPRHPDLCHYSCIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052131
O=C(c1ccc(F)cc1F)c1ccc2n1CCC2C(=O)O	PC-id_13487065,CHEMBL9460	291.25	AGRMEOPXYBLKBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052132
O=C1OC(C)(C)OC(=O)C1=CC1C(=O)c2n(C1O)ccc2	PC-id_102484124	291.256	OFACXJFUFIDMDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052133
O1C(n2c(C1)c(O)n(c2=O)Cc1ccc([N+](=O)[O-])cc1)C	PC-id_54424115	291.259	WCWGVUVDEPAUIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052134
c12CN(Cc1nn(C(C)(C)C)c2C(=O)O)CC(F)(F)F	EMOLS-id_324344679,MCULE-9835103044	291.27	YNFUQKVBDCETEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052135
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCCOC)n1	TIMTEC322443,PC-id_17060240,EMOLS-id_7676042,MCULE-4139989689,CoCoCo_6628373,ZINC22_12844957	291.27	MXHRTXVKMXKDSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052136
CC(C)(C)OC(=O)C1NCc2nn(CC(F)(F)F)cc12	EMOLS-id_259640486,MCULE-3511400580	291.27	OSIDAPJGVZNXQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052137
CC(C)(C)OC(=O)N1Cc2c(C1)n(nc2C(F)(F)F)C	PC-id_90167669,SCHEMBL15730211	291.27	KWERRUXWJCKFHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052138
FC(F)(F)c1nn(c2CCN(c12)C(=O)OC(C)(C)C)C	PC-id_71204566,SCHEMBL14555740	291.27	NHHLUKMHPSCIDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052139
OC(C(NC(=O)c1cnn2c1CCC2)(C)C)C(F)(F)F	EMOLS-id_317049110	291.27	LHGUAYREMQNVIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052140
CC[C@@H](C(F)(F)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319593120	291.273	QYOVUYYDABVFBJ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052141
FC(F)(F)CNCC(=O)N(Cc1n2CCCc2nn1)C	PC-id_78925238	291.273	HVEZKIBOCIGYEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052142
FC(F)(F)CNCC(=O)NC(c1n2CCCc2nn1)C	PC-id_78942339	291.273	DVUQIEUAWRLMDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052143
FC(F)(F)C(N)(C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_79797537	291.273	BHOKHZGSVRCKAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052144
FC(F)(F)C(N)(C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_79805756	291.273	NWBIRRVIOFZACS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052145
CC(c1nnc2n1CCC2)Nc1cccc(c1[N+](=O)[O-])F	MCULE-4249875381,EMOLS-id_49350769,PC-id_75522209	291.281	FTBRTVQZBIDSQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052146
C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1nnc2n1CCC2	PC-id_97827188,ZINC22_97115236	291.281	FTBRTVQZBIDSQQ-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052147
C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1nnc2n1CCC2	ZINC22_97115237,PC-id_97827189	291.281	FTBRTVQZBIDSQQ-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052148
Fc1cc([N+](=O)[O-])c(NCCc2n3CCCc3nn2)cc1	PC-id_78857916	291.281	KGXNMBBFNOUZQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052149
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CCCS(=O)(=O)O	PC-id_141088112	291.281	QNLPWPXFQRXOKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052150
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CCOS(=O)(=O)C	PC-id_23081092,SCHEMBL5537779	291.281	FMLZDLWBCXVDMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052151
C1C(n2c(ccn2)O1)C=C1C2N(C1=O)C(=CS2)C(=O)O	PC-id_91514983	291.283	YKVJNJIOMNGUCQ-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-052152
C1COc2cc(nn12)C=C1C2N(C1=O)C(=CS2)C(=O)O	PC-id_87540519	291.283	WCZPETISIDPRLB-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-052153
OC(=O)C1=CS[C@H]2N1C(=O)/C/2=C/c1cc2n(n1)CCO2	PC-id_68686924,SCHEMBL3551495	291.283	WCZPETISIDPRLB-KGHNQEBZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-052154
OC(=O)C1=CS[C@H]2N1C(=O)C2=Cc1cc2n(n1)CCO2	SCHEMBL3551499,PC-id_68686928	291.283	WCZPETISIDPRLB-LLVKDONJSA-N	00001011100000000001001010000000000000000000000000000000	25-01-052155
S1Cc2c(noc2NC(=O)c2cc([N+](=O)[O-])ccc2)C1	PC-id_49719055	291.283	XWNYEWJTBJMCGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052156
c1(nnc2SCCn12)NC(=O)c1cccc(c1)N(=O)=O	PC-id_18566856,EMOLS-id_30119049,MCULE-9106289929,CoCoCo_5085680,ZINC22_9621869	291.286	XULLPMFKFXPENY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052157
S1CCn2c1nnc2NC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_44007637	291.286	AEMLXIAFJQXPOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052158
S1CCn2c1nnc2NC(=O)c1c([N+](=O)[O-])cccc1	PC-id_44007636	291.286	SJZHACLTHCJNFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052159
COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(c(c1)F)F	PC-id_59180111,SCHEMBL1003927	291.293	LFURRZSVDSYMIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052160
COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(cc1F)F	PC-id_59180239,SCHEMBL1005435	291.293	XQNRLFUXYRWXMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052161
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2F)F)n1	MCULE-1087276359,EMOLS-id_331034629	291.296	DWYZGSHOHJYWAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052162
c1(C(=O)N)c2C(C)CCc2n(Cc2c(cccc2F)F)n1	MCULE-2359184868,EMOLS-id_331036677	291.296	NHPMJYCOJQXRGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052163
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(F)c2F)n1	MCULE-4975243985,EMOLS-id_331036421	291.296	JFLPKBYPWZBCQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052164
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(F)c2)F)n1	MCULE-8105476321,EMOLS-id_331038468	291.296	GFUNGSQTYHFMKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052165
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)ccc2F)n1	EMOLS-id_331036933,MCULE-4904386893	291.296	SHQZUIHRYKUFQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052166
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)cc(F)c2)n1	EMOLS-id_331034886,MCULE-6801971030	291.296	ZJTJFDJTPXGRAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052167
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1F)F	EMOLS-id_331016638,MCULE-8845657554	291.296	ADVUDPPEASCUKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052168
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(F)c1F	MCULE-6534209012,EMOLS-id_331014335	291.296	HLTMBHVVRKODLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052169
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(F)c1)F	MCULE-9595205921,EMOLS-id_331016382	291.296	PUOUMQBVZUOXGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052170
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)ccc1F	MCULE-8518807596,EMOLS-id_331014847	291.296	FQEUIUPIFSBDAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052171
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)cc(F)c1	EMOLS-id_331016895,MCULE-7850432230	291.296	HLXDIBWKNDZXIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052172
CC1CCc2nn(Cc3c(F)cccc3F)c(C(=O)N)c12	MCULE-3248896552,EMOLS-id_331014591	291.296	LOYMWZYJQAQQQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052173
Cc1cc(F)c(c(c1)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319357650	291.296	GFJJGXNBPJACGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052174
Cc1cc(F)c(c(c1)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319750803	291.296	MCXDTOIOQHMZBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052175
CC(c1cccc(c1F)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_318544949	291.296	WBKUJLVKBLEXNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052176
CC(c1cccc(c1F)F)NC(=O)c1cnn2c1CCC2	EMOLS-id_318456059	291.296	SRNQQUUVELUTBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052177
CC(c1c(F)cccc1F)NC(=O)c1cnc2n1CCC2	EMOLS-id_318553705	291.296	HSSBOJNXVVAIDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052178
CC(c1c(F)cccc1F)NC(=O)c1cnn2c1CCC2	EMOLS-id_318432954	291.296	WCMLYTJOPLLZNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052179
Fc1cccc(c1Cn1nc(c2c1C(C)(C)NC2=O)C)F	PC-id_110171014	291.296	OCCNNHSLCGWAPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052180
Fc1ccc(c(c1)C(NC(=O)c1cnc2n1CCC2)C)F	EMOLS-id_318697094	291.296	NTXZCPCEAZYCNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052181
Fc1ccc(c(c1)C(NC(=O)c1cnn2c1CCC2)C)F	EMOLS-id_318758753	291.296	UNGCWSVOHLKMAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052182
Fc1ccc(c(c1)C(NC(=O)c1nn2c(c1)CCC2)C)F	EMOLS-id_318568668	291.296	XFTAZYWDJFAFPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052183
Fc1ccc(c(c1)F)[C@@H](NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318625846	291.296	PELSBFHBDXXLJN-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-052184
Fc1ccc(c(c1)F)[C@H](NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318735348	291.296	PELSBFHBDXXLJN-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052185
Fc1ccc(c(c1)F)[C@H](NC(=O)c1cnn2c1CCC2)C	EMOLS-id_318593925	291.296	QKSVSZIGNWWTQR-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052186
Fc1ccc(c(c1)F)[C@@H](NC(=O)c1cnn2c1CCC2)C	EMOLS-id_318718214	291.296	QKSVSZIGNWWTQR-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-052187
Fc1ccc(c(c1)F)[C@@H](NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318424532	291.296	YDGRWQSSUCAXFM-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-052188
Fc1ccc(c(c1)F)[C@H](NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318513767	291.296	YDGRWQSSUCAXFM-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052189
Fc1ccc(c(c1)F)C(NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318626102	291.296	PELSBFHBDXXLJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052190
Fc1ccc(c(c1)F)C(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_318455935	291.296	QKSVSZIGNWWTQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052191
Fc1ccc(c(c1)F)C(NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318424788	291.296	YDGRWQSSUCAXFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052192
O=C(c1cccc(c1)C(F)(F)C)NC1CCn2c1cnc2	EMOLS-id_319311351	291.296	PDQSYEAEOJRSOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052193
O=C(c1cccc(c1)C(F)(F)C)NC1CCn2c1ncc2	EMOLS-id_318777968	291.296	RPKSWMFXSAPQOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052194
O=C(c1ccccc1C(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318713926,MCULE-6832629485	291.296	VUEVUKUMBOKXMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052195
O=C(c1ccc(cc1)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_319129118	291.296	UGGZCHKLSRSIQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052196
O=C(c1cccc(c1)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_319432092	291.296	HXAMJBPMLAYJNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052197
O=C(c1ccccc1C(F)F)NCc1cnc2n1CCC2	MCULE-4065662379,EMOLS-id_320242818	291.296	FVRCDUBRJPVFRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052198
O=C(c1ccccc1C(F)F)NCc1nn2c(c1)CCC2	EMOLS-id_319373967	291.296	KTHLKAOZPNOYHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052199
O=C(c1ccccc1C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318886210	291.296	FMJFHXQVFLNOCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052200
O=C(c1ccc(cc1)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319101854	291.296	WQAJCFGTQPEMDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052201
O=C(c1ccc(c(c1F)F)C)NCc1cnc2n1CCC2	MCULE-7925145785,EMOLS-id_320113007	291.296	BBTLNMDVTDBYBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052202
O=C(c1cc(C)c(cc1F)F)NCc1cnc2n1CCC2	EMOLS-id_319604198	291.296	WZRBFGSCYYMZIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052203
O=C(c1cc(F)c(cc1F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319787516	291.296	UIJVDYBZKXMFBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052204
O=C(c1nn2c(c1)CCC2)NC(c1cccc(c1F)F)C	EMOLS-id_318745995	291.296	WCKWXSILQQJPBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052205
O=C(c1nn2c(c1)CCC2)NC(c1c(F)cccc1F)C	EMOLS-id_318651196	291.296	XOGJAUKMLBVSDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052206
O=C(C(c1ccccc1)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318488689	291.296	OBACCVHDNPNKLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052207
O=C(C(c1ccccc1)(F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318438371	291.296	DJFCCOMQOZBUND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052208
O=C(Cc1cccc(c1F)F)NCc1cnc2n1CCC2	EMOLS-id_319237322	291.296	NCGKEYAPBKUZEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052209
O=C(Cc1ccc(c(c1)F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318785406	291.296	QKRUIZWHXQRKIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052210
O=C(Cc1ccc(cc1F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319748330	291.296	FBNSBUQUAMQTIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052211
Clc1sc2CCC(Nc3ccc(CCC)cc3)c2c1	PC-id_81252475	291.839	HAIAUCNAFQHUBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052977
O=C(Cc1ccc(C(F)F)cc1)N[C@@H]1CCn2ccnc12	ZINC22_1615626227	291.296	ZXLGGOJSRMWPEE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052212
O=C(Cc1ccc(C(F)F)cc1)N[C@H]1CCn2ccnc12	ZINC22_1615626228	291.296	ZXLGGOJSRMWPEE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052213
O=C(Cc1c(F)cccc1F)NCc1cnc2n1CCC2	EMOLS-id_318844217	291.296	UPYXHIFOEDDIJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052214
O=C(NC1CCn2c1ncc2)Cc1ccc(cc1)C(F)F	MCULE-5837450763,EMOLS-id_316900200	291.296	ZXLGGOJSRMWPEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052215
CCOC(=O)C1=Cc2c(C)c(C(=O)OCC)c(C)n2C1=O	NSC94957,LI_126997,PC-id_261889,CoCoCo_5411290	291.299	JAIRDWBLBKILQN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-052216
COCc1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324901377	291.301	JJDCDSNXPYVLEE-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-052217
COCc1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324902403	291.301	PASLCKLGUCERRT-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-052218
COCc1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324900353	291.301	MPBZGKNVDSDCGA-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-052219
COC(=O)[C@H]1[C@H](C[N+](=O)[O-])c2c(S1(=O)=O)scc2	PC-id_101598325	291.301	ZRBIGGRWEQJYIG-RNFRBKRXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052220
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COC	MCULE-3493441706	291.301	JJDCDSNXPYVLEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-052221
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COC	MCULE-5592106078	291.301	PASLCKLGUCERRT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-052222
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)COC	MCULE-4811669757	291.301	MPBZGKNVDSDCGA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-052223
S1(=O)(=O)C(C(c2c1scc2)C[N+](=O)[O-])C(=O)OC	PC-id_14867376	291.301	ZRBIGGRWEQJYIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052224
S1(=O)(=O)[C@@H]([C@H](c2c1scc2)C[N+](=O)[O-])C(=O)OC	PC-id_21779984	291.301	ZRBIGGRWEQJYIG-BQBZGAKWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052225
Cc1c2n(CCO2)nc1C(=O)NCCC(c1ccco1)O	PC-id_91959921	291.302	BCZHUSGNSHVDQT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-052226
C=C/C=CC(=C/C)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19718889	291.302	CUATVERERFDOOG-KISGPHKQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052227
CCOC(=O)C1=C(C)n2c(C1)ncc2C(=O)C(=O)N(C)C	SCHEMBL14514807,PC-id_58860785	291.302	KIFZHGKUJJDLJW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-052228
OCCc1ncc2n1C(=O)CC2(CCC#N)C(=O)OCC	SCHEMBL19601622	291.302	CYEDESSONDKSNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052229
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COC1=CC(=CCC1)C	PC-id_122501649,SCHEMBL18031639	291.302	PPJREQDBQGHAJZ-CQSZACIVSA-N	00000010100011000001000010000000000000000000000000000000	25-01-052230
c1(oc(nn1)CCC)C(=O)N1Cc2c(n(nc2)CCO)C1	PC-id_56867354,ZINC22_71721595,EMOLS-id_43100223,MCULE-3519851401	291.306	SODXUQCNIGYJEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052231
CCC1(C)NC(=O)N(C1=O)CC(=O)N1CCn2c1ccn2	EMOLS-id_316051868,MCULE-7244463835	291.306	BOBMPWRYDDBPCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052232
CC[C@@]1(C)NC(=O)N(CC(=O)N2CCn3nccc23)C1=O	ZINC22_367499354	291.306	BOBMPWRYDDBPCM-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052233
CC[C@]1(C)NC(=O)N(CC(=O)N2CCn3nccc23)C1=O	ZINC22_367499355	291.306	BOBMPWRYDDBPCM-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052234
CCN1CCN(C(=O)C1=O)CC(=O)N1CCn2c1ncc2	EMOLS-id_316585664	291.306	FLTIBDXFYNCUGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052235
CCOC1=Nn2c(nnc2C(C)n2c(cc(c2O)C)O)C1	PC-id_90769017	291.306	ACLWUVMVWSRMKN-UHFFFAOYSA-N	00000011110000000001000010000000000000000000000000000000	25-01-052236
CN1CC(=O)N(CC(=O)NCc2n[nH]c3c2CCC3)C1=O	PC-id_118765872,MCULE-3167578922,ZINC22_299768286,EMOLS-id_68880831	291.306	JQNXBHKVPKLTIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052237
COc1cn(nc1C(NC(=O)c1nn2c(c1)OCC2)C)C	EMOLS-id_318892551	291.306	DXCOONOKUVRLBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052238
O=C1N(C(c2n3N=C(OCC)Cc3nn2)C)C(=O)CC1C	PC-id_57604426	291.306	RFJQGJVDUFSTKL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-052239
O=C(CN1CCCC1=O)NNC(=O)c1cnn2c1CCC2	EMOLS-id_316597959	291.306	CHUWEGNYGYYSFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052240
O=C(CN1CC(=O)N(C1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320191204,MCULE-3816218405	291.306	FRAKAZQVMHGTCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052241
CC1CC(c2n1ccn2)NS(=O)(=O)C1CC(C1)(F)F	MCULE-2932652174,EMOLS-id_319901378	291.318	XLSJQAVNORKEDC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052242
FC1(F)CC(C1)S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319707229	291.318	MPLSMVUTMKHHOX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052243
FC1(F)CC(C1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319644972	291.318	KFDDGYUXKGUXIL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052244
FC(C1(CC1)S(=O)(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_320306041,MCULE-8224381253	291.318	HFNCOOHMFCKOFC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052245
FC(CN(S(=O)(=O)c1cnc2n1CCC2)C1CC1)F	EMOLS-id_100224694	291.318	WPZITCIVHPVZQP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052246
N#Cc1cc(F)c(c(c1)F)NCc1sc2c(n1)CCC2	MCULE-4559223455,EMOLS-id_318374621	291.319	XFHJQCWUTORPJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052247
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)OC	BAS-01292311,ChEMBL-DNDi_CHEMBL1392952,CHEMBL1392952,SPECS-id_AT-225/JK19500,PC-id_718799,EMOLS-id_603925,CHEBI:120505,ChEMBL-DNDi_CHEMBL5986491,MCULE-1208781697,STOCK2S-62276,ZINC22_118491,SCHEMBL8288728,CoCoCo_187551	291.322	ZMTZGWGREAHCNN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052248
Cc1occ(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114818789	291.322	MNKDULJRDIYONX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052249
O=C(c1sc2c(c1)CCC2)NCc1ccc(o1)C(=O)O	PC-id_80005638,MCULE-8843053088,EMOLS-id_51960141	291.322	HCSUXCGQBLVONQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052250
s1c2c(CCC2)c(c1NC(=O)c1c(occ1)C)C(=O)O	PC-id_43145450	291.322	LBMCVZDEJPTLCB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052251
s1c2c(CCC2)c(c1NC(=O)c1oc(cc1)C)C(=O)O	PC-id_43328011	291.322	FTJCEDRTDLMGFT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052252
s1c2c(CCC2)c(c1NC(=O)c1occc1C)C(=O)O	PC-id_43328025	291.322	UWAQXYNXZACEDU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052253
S1(=O)(=O)Cc2c(C1)cn(c2)C(=O)OCc1ccccc1	PC-id_11055416	291.322	ILAJRLVXKOEDCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052254
S1(=O)(=O)Cc2c(C1)c[nH]c2C(=O)OCc1ccccc1	PC-id_11119845	291.322	NEVDGCJVGFSMHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052255
c1(NC(=O)c2cc(no2)C)sc2c(CCC2)c1C(=O)N	MCULE-9263528442,EMOLS-id_13694347,ZINC22_12422394,CoCoCo_5249147,PC-id_16879800	291.326	FDLMKNJKQZQLKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052256
c1(NC(=O)c2cc(on2)C)sc2c(CCC2)c1C(=O)N	CoCoCo_1074036,EMOLS-id_11487928,TIMTEC341486,PC-id_16953677,MCULE-6955294570,ZINC22_9204056	291.326	NSPCWJAUIVTRKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052257
c1(sc2c(CCC2)n1)NC(=O)c1cc(O)c(cn1)OC	ZINC22_61721355,PC-id_52902100,STOCK7S-15993,MCULE-9493124873,EMOLS-id_36743184,EMOLS-id_35789922	291.326	IXWONPALXISJJA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052258
Cn1ccc(n1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_103116456	291.326	IQCVUCOMEJLZDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052259
Cn1cnc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107971203	291.326	QVQJYYPNUUVCOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052260
COc1ccc(cn1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287563	291.326	WTEGFTIHVWHGBI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052261
COC(=O)c1nc[nH]c1NC(=O)C1Cc2cscc2C1	ZINC22_2325806576	291.326	YHRZXMBEFNKFKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052262
COC(=O)c1sccc1C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319078540	291.326	WDDPQVVVIUXKNZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052263
COC(=O)c1sccc1C(=O)NC1CCn2c1ncc2	EMOLS-id_319371986	291.326	IZAVKAFNDQIWHA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052264
O=c1cc(CNC(=O)c2sc3c(c2)CCC3)[nH]c(=O)[nH]1	EMOLS-id_320030428,MCULE-5614706053	291.326	GXJKUAJNNZJEMF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-052265
Oc1nc(CNC(=O)c2sc3c(c2)CCC3)nc(c1)O	EMOLS-id_278440588	291.326	LKAVVPYUOIIFEJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-052266
O=C(c1sc2c(c1)CCC2)Nc1cc(nn1C)C(=O)O	EMOLS-id_319613785	291.326	GUSIYDWFWVCECQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052267
OC(=O)c1c(sc2c1CCC2)NC(=O)c1cncn1C	PC-id_103510414	291.326	XPEDMUYORVUEJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052268
OC(=O)Cn1ccc(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_119230563,MCULE-8445276337,EMOLS-id_52210135	291.326	LVTLSDGRDQEPSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052269
s1c2CCCc2cc1CNC(=O)c1nc[nH]c1C(=O)O	PC-id_65636696	291.326	LTMJHBATDVLXTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052270
s1c2CCCc2cc1C(=O)Nc1cn(nc1)CC(=O)O	PC-id_61017194	291.326	LNPXYODZVSGEQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052271
s1c2CCCc2cc1C(=O)NNC(=O)c1onc(c1)C	PC-id_27684667	291.326	ZYGTWVUFMHVQKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052272
s1c2c(CCC2)c(c1NC(=O)c1c([nH]nc1)C)C(=O)O	PC-id_64446292	291.326	GWWOVSPDEIPUGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052273
s1c2c(CCC2)c(c1NC(=O)c1c[nH]nc1)C(=O)OC	PC-id_61259710	291.326	RRMXSHISQBIPQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052274
s1c2c(CCC2)c(c1NC(=O)c1cn(nc1)C)C(=O)O	PC-id_43145446	291.326	OXQWXBGNLYNRFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052275
s1c2c(CCC2)c(c1NC(=O)c1n(ncc1)C)C(=O)O	PC-id_43664832	291.326	DITALZMSMQZWOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052276
s1c2c(CCC2)c(c1NC(=O)c1n[nH]c(c1)C)C(=O)O	PC-id_64120253	291.326	IAGBNLSWTYHXSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052277
s1c2c(CCC2)c(c1NC(=O)Cc1[nH]ncc1)C(=O)O	PC-id_79139094	291.326	STSOZWIIVGOBBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052278
s1c2c(CCC2)c(c1NC(=O)n1ccnc1)C(=O)OC	PC-id_81256980	291.326	UTOHVFZMYURTMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052279
s1c2CCCc2nc1NC(=O)C1=CC(=O)C(OC)C=N1	PC-id_75949668	291.326	CAHQATZUCUPBHR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-052280
s1c2CCCc2nc1NC(=O)c1n(CC(=O)O)ccc1	PC-id_79331115	291.326	RCULRXYEUBFEIL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-052281
s1c2CCCc2nc1NC(=O)Cn1c(ccc1)C(=O)O	PC-id_79325410	291.326	WNPOVXKLLWADHF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-052282
S1c2n(nc(n2)Cc2cc(OC)c(OC)cc2)C(=O)C1	PC-id_82357997	291.326	QPFKRDQIUHTPKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052283
S1c2n(nc(n2)COc2ccc(OCC)cc2)C(=O)C1	PC-id_82357967	291.326	KFPMFXAGXPBYGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052284
S1Cc2c(noc2NC(=O)Nc2ccc(OC)cc2)C1	PC-id_49719376	291.326	MMKNNNSSKSMTKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052285
S1Cc2c(noc2NC(=O)Nc2cc(OC)ccc2)C1	PC-id_49720614	291.326	BIRPRRLSXRUAIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052286
S1Cc2c(noc2NC(=O)Nc2c(OC)cccc2)C1	PC-id_49719375	291.326	GIOXVCFDOQCNGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052287
S1(=O)(=O)CCn2c1nc(c2C(=O)Nc1ccccc1)C	PC-id_50878416	291.326	YKTGPDPHYCYMCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052288
S(CC1Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccc(cc1)C	PC-id_10379520	291.326	CELLVBZIASQMBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052289
C1Cc2c(C1)sc(c2)C(=O)Nc1c(cn[nH]1)C(=NO)N	PC-id_136285989	291.329	DQKLMEOHPHEXAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052290
CNC(=O)c1ccsc1NC(=O)N1CCn2c1ncc2	EMOLS-id_318767268	291.329	YXXWRBXEJBDZIR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052291
N#Cc1c(NC(=O)C2CN(C2)C(=O)C)nc2n1CCS2	EMOLS-id_100086981	291.329	VQEIHHGLHAGCMP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052292
N#Cc1c(NC(=O)CN2CCCC2=O)nc2n1CCS2	EMOLS-id_99352945	291.329	IZFOMWGIFSTQRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052293
O=C(Nc1nc(CC2CC2)ns1)c1cc2n(n1)CCO2	ZINC22_685939036,MCULE-6480935575,EMOLS-id_276239029	291.329	LQZCRMOIUVWADV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052294
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)Cc1cccs1	SCHEMBL2918888,PC-id_68440752	291.329	SGNHFYCCNPVPCX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052295
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)Cc1cscc1	SCHEMBL2917319,PC-id_68440273	291.329	DCVPASFOOVPVFE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052296
O=C(N[C@H](c1nn[nH]n1)C1CC1)c1coc2c1CSC2	ZINC22_2325807087	291.329	ZFBLNBQTEUKLLW-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-052297
O=C(N[C@@H](c1nn[nH]n1)C1CC1)c1coc2c1CSC2	ZINC22_2325807088	291.329	ZFBLNBQTEUKLLW-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052298
O=C(O)c1cnc(NCCc2cn3c(n2)SCC3)cn1	MCULE-2703879816,ZINC22_263407292,EMOLS-id_72817647,PC-id_122056127	291.329	LCHJXTZWIKWMFS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-052299
s1c2CCCc2cc1C(=O)NC1=NN=C/C/1=C(NO)/N	PC-id_79500324	291.329	DBUJHJZHNBBODQ-JXMROGBWSA-N	00000011100000000001000010000000000000000000000000000000	25-01-052300
s1c(NC(=O)c2n3CCCc3nn2)c(cc1)C(=O)NC	PC-id_44007037	291.329	SOEYGCPMGHXKCR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052301
CC(C)N(CC(F)(F)F)C(=O)c1cc2c(s1)CCC2	ZINC22_95953226,MCULE-2388218770,EMOLS-id_48218522,PC-id_75416127	291.332	XNTLWKTYYZANCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052302
s1ncc(OC)c1NN=C1c2n(N=C1C)c(nn2)CC	PC-id_59791359	291.332	FKJMHBOGAYHCLB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-052303
CC1CCc2c1c(CN)nn2Cc1c(C)cc(F)cc1F	MCULE-6633344229,EMOLS-id_331018227	291.339	TWIYMVBBXGUMNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052304
CC1CCc2c1c(CN)nn2Cc1ccc(F)c(F)c1C	MCULE-1953936894,EMOLS-id_331017971	291.339	QQZOVCPICPXULF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052305
CC1CCc2c1c(CN)nn2Cc1cc(F)cc(F)c1C	EMOLS-id_331017715,MCULE-8943117856	291.339	SYFGLJOWMDWEQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052306
CC1CC(c2n1ccn2)NCc1ccc(cc1)C(F)(F)C	EMOLS-id_318103446,MCULE-1195901944	291.339	PDFMCMCPHPATDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052307
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(CN)c12	EMOLS-id_330995902,MCULE-3926015151	291.339	OILOUYHHSSVBJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052308
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(CN)c12	MCULE-9337121081,EMOLS-id_330995646	291.339	RZQNEJHIHYVVTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052309
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(CN)c12	MCULE-2921503843,EMOLS-id_330995390	291.339	GZDRPZKEXYTGSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052310
CC(c1ccc(c(c1)F)F)NC(c1nn2c(c1)CCC2)C	MCULE-8872805471,EMOLS-id_318133392	291.339	SQWQGSUNWQWAMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052311
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1N	EMOLS-id_331010218,MCULE-9603786851	291.339	GQOBHLNGIXQFEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052312
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1CN	EMOLS-id_331001267,MCULE-2335508143	291.339	DPEVUXLRCXHUAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052313
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1CN	MCULE-4503076817,EMOLS-id_331000497	291.339	BKCNTCSBCOSNEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052314
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1CN	EMOLS-id_331000753,MCULE-7067731908	291.339	BBCBYSVAGLZVSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052315
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1CN	EMOLS-id_331001011,MCULE-4580639543	291.339	JTHKGONSGVZPBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052316
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1CN	MCULE-4381345561,EMOLS-id_331000755	291.339	AKQDWXBQHSLXEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052317
CC(c1nn2c(c1)CCC2)NC(c1cccc(c1F)F)C	MCULE-6468149010,EMOLS-id_318175572	291.339	OCPFBJLWNBMUOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052318
CC(c1nn2c(c1)CCC2)NC(c1c(F)cccc1F)C	EMOLS-id_318592559,MCULE-1800787946	291.339	KBKISYIUPSGRQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052319
CCC(c1ccc(cc1F)F)NC1CC(n2c1ncc2)C	MCULE-8306054870,EMOLS-id_318362424	291.339	PTSNSLDNUXJFPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052320
CCCC(c1ccc(cc1F)F)NC1CCn2c1ncc2	EMOLS-id_318363706	291.339	JYWRZTUXPAGGEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052321
Fc1ccc(c(c1)C(NC(c1nn2c(c1)CCC2)C)C)F	EMOLS-id_318299229,MCULE-9998702837	291.339	HWNUPNUILZATGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052322
Fc1ccc(c(c1)F)[C@H](NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318099704	291.339	MKOSPFDOPXTBDI-NFJWQWPMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052323
Fc1ccc(c(c1)F)[C@@H](NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318304774	291.339	MKOSPFDOPXTBDI-VUWPPUDQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052324
Fc1ccc(c(c1)F)C(NCc1cnc2n1CCC2)(C)C	MCULE-2588214755,EMOLS-id_318534051	291.339	JFNQDIDJUQISEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052325
Fc1ccc(cc1F)C(NCc1cnc2n1CCC2)(C)C	MCULE-6383827518,EMOLS-id_318392581	291.339	JINBQPJJKMKXMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052326
Fc1ccc(c(c1)F)C(NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318099960,MCULE-6871208668	291.339	MKOSPFDOPXTBDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052327
Fc1ccc(c(c1)F)C(NCc1nn2c(c1)CCC2)(C)C	EMOLS-id_318567254,MCULE-1815728417	291.339	RRKFYBOPKNBSMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052328
s1c2CN(Cc2cc1C(=O)OC)Cc1ccc(F)cc1	PC-id_3427812	291.341	GBZYSXBGNSCEEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052329
COC1CCC(CC1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_138700257,SCHEMBL21075934	291.342	KQMGKHROEKMOFF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052330
c1(NC(=O)Cc2ccc(cc2)F)n(C)nc2CSCc12	EMOLS-id_334563506,MCULE-3844729888	291.344	NUFOQZJKXKHAAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052331
c1(NC(=O)Cc2ccccc2F)n(C)nc2CSCc12	MCULE-5830970293,EMOLS-id_334561459	291.344	MLTSYBHDXWAYIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052332
c1(NC(=O)NCc2ccc(cc2)F)sc2c(CCC2)n1	ZINC22_38671385,PC-id_45503684,EMOLS-id_30776445,MCULE-9151743007	291.344	HPUBOZKRKYIBLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052333
Nc1cc(C)c(c(c1)C(=O)Nc1sc2c(n1)CCC2)F	PC-id_103296280	291.344	VVZJHGXWQWSKKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052334
s1c2CCCc2nc1NC(=O)c1cc(N)c(c(F)c1)C	PC-id_61507695	291.344	WQYKWLCXCXROCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052335
s1c2CCCc2nc1NC(=O)c1c(NC)c(F)ccc1	PC-id_62662283	291.344	BATLVLMPBAVNCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052336
c12SC(=O)C(CC(=O)c3ccccc3)c1sc(=O)[nH]2	PC-id_16452202,MCULE-7775812236	291.345	VFRSSVXTTRCGDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052337
COc1c(sc2c1SC(=O)C2=Nc1ccccc1)O	PC-id_136771271	291.345	TYTQPMAEZSYCNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052338
N#C[C@@H](C(=O)COC(=O)c1sc2c(c1)CCC2)C(=C)[NH3+]	GD-id_ZINC03431254,PC-id_7042892	291.345	NVNFCGCGKTYUHK-SNVBAGLBSA-O	00000010100000000000000010000000000000000000000000000000	25-01-052339
O=C(C[C@@H]1C(=O)Sc2[nH]c(=O)sc12)c1ccccc1	CoCoCo_6313923,ZINC22_101113285	291.345	VFRSSVXTTRCGDF-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052340
O=C(C[C@H]1C(=O)Sc2[nH]c(=O)sc12)c1ccccc1	ZINC22_27642457,CoCoCo_6313922,PC-id_51651485	291.345	VFRSSVXTTRCGDF-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052341
s1c2c(CCC2)cc1C(=O)C1C(=O)N(C(=O)[N+](=C1)C)C	PC-id_74874844	291.345	XXZQETUZQKZFMJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-052342
c12CN(Cc1nn(CC1CCCC1)c2C=O)C(=O)OCC	MCULE-1159123479,EMOLS-id_324348007	291.346	RJKWWTIJBOTDPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052343
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C(=O)OCC)C1	PC-id_110678725,EMOLS-id_180404683,MCULE-2302881270	291.346	DAFJLMCSUALCEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052344
C1Cc2c(n(c(=O)n2C1)CCCCNCc1ccco1)O	PC-id_91930432,BindingDB_PC-id_91930432	291.346	DZMMNOQTWOCKID-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-052345
c1(C(=O)NC2(CCCCC2)CC(=O)O)c2CCCc2[nH]n1	PC-id_91772648,ZINC22_219690245,EMOLS-id_55638578,MCULE-5500778322	291.346	KBYHSPVNBIQTTM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052346
c1(C(=O)NC[C@H]2CC[C@@H](CC2)C(=O)O)c2CCCc2[nH]n1	MCULE-9533015547,EMOLS-id_323257017	291.346	ATSYEGZIOOKHGO-MGCOHNPYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052347
CC(C(=O)N1Cc2c(C1)nc(o2)C(=O)NC1CCCC1)C	PC-id_97515431	291.346	GKCIGOULUDGHGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052348
CCOC(=O)C1CCN(CC1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_50305361,MCULE-7974188445,ZINC22_74643173,PC-id_78881392	291.346	CTNXEIFECAVZHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052349
CN(C1C2CCOC2C1(C)C)C(=O)c1nn2c(c1)OCC2	MCULE-3468668338,EMOLS-id_316206860	291.346	KIEDIWYJLYMMSC-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-052350
CN(C)C(=O)N1CCN(C(=O)c2occ3c2CCC3)CC1	EMOLS-id_102663694,ZINC22_335806476,MCULE-9972354095	291.346	WZLCRNGJJNQSRZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052351
CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC22_378025033	291.346	KIEDIWYJLYMMSC-BIMULSAOSA-N	00001010100000000001001010000000000000000000000000000000	25-01-052352
CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC22_378025034	291.346	KIEDIWYJLYMMSC-OASPWFOLSA-N	00001010100000000001001010000000000000000000000000000000	25-01-052353
CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC22_378025035	291.346	KIEDIWYJLYMMSC-WQAKAFBOSA-N	00001010100000000001001010000000000000000000000000000000	25-01-052354
CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC22_378025036	291.346	KIEDIWYJLYMMSC-ZWKOPEQDSA-N	00001010100000000001001010000000000000000000000000000000	25-01-052355
CNC(=O)NC1CCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_319888202,MCULE-6418870579	291.346	HXWROXTYVVGMID-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052356
O[C@@H]1COC[C@H]1N(C(=O)c1n(C)nc2c1CCC2)C1CC1	EMOLS-id_318929412	291.346	HXAYTBJGLYKSGU-CHWSQXEVSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052357
O=C(N1CCCC1C1CCOCC1)c1nn2c(c1)OCC2	EMOLS-id_99596724	291.346	DVJWBKRAAPOKMB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-052358
O=C(NCC1(C(=O)O)CCCCC1)c1cnn2c1CCC2	MCULE-9627002269,EMOLS-id_316421400,ZINC22_637795583	291.346	ZETSEUYKCFVQIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052359
OC(=O)CCC1CCCCN1C(=O)c1cnn2c1CCC2	PC-id_121902332,MCULE-7033963817,EMOLS-id_72513434	291.346	KPMXNMZECUIQRN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052360
s1c2CCCc2cc1C(=O)OCC(=O)C(C(=C)[NH3+])C#N	PC-id_78441089	291.346	NVNFCGCGKTYUHK-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-052361
c1ccc(c2ccccc2OCc2nnc3n2CCC3)cc1	ChEMBL-DNDi_CHEMBL1739744,ZINC22_3256609,MCULE-6889041789,CoCoCo_3767380,PC-id_2373259	291.347	BJXITFLDIACERQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-052362
OC(=O)C1CCc2c1nc(s2)NCCS(=O)(=O)N	EMOLS-id_315823073,PC-id_104287948	291.347	CTBPPAUXYMQBAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052363
C1(=O)N(C)CCN1CC(=O)N(C)Cc1c2CCCc2[nH]n1	EMOLS-id_177451278,MCULE-1150560680,ZINC22_426547745,PC-id_121506138	291.349	ZUDOMEACDQVTOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052364
CC1NC(=O)C(N(C1C)C(=O)NC1CCn2c1ncc2)C	EMOLS-id_320219851,MCULE-4505548791	291.349	IRPRWALLRQZYDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052365
CC(C)N1CCN(C(=O)N[C@@H]2CCn3ccnc23)CC1=O	ZINC22_1478685971	291.349	XUANYTKDHDCMSM-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052366
CC(C)N1CCN(C(=O)N[C@H]2CCn3ccnc23)CC1=O	ZINC22_1478685972	291.349	XUANYTKDHDCMSM-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-052367
CCC(=O)N1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_102198769	291.349	KIZDHLDBHKWBSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052368
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(C)C2=O)c2nccn12	ZINC22_527989741	291.349	GFAYGMUAZNQJCW-GMTAPVOTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052369
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C)C2=O)c2nccn12	ZINC22_527989742	291.349	GFAYGMUAZNQJCW-MXWKQRLJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052370
C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(C)C2=O)c2nccn12	ZINC22_527989743	291.349	GFAYGMUAZNQJCW-OUAUKWLOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052371
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C)C2=O)c2nccn12	ZINC22_527989744	291.349	GFAYGMUAZNQJCW-VWYCJHECSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052372
CCN1CC(CC1=O)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101419908	291.349	WXHXZRXCIBUBFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052373
CCN1CCN(CC1=O)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420391	291.349	DJTPMAFAXHQPIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052374
CC=NC(=N)c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	PC-id_144979406	291.349	GRKDAGRSANOIFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052375
CC(NC(=O)C1CCc2n1c(CNC(=O)C1CC1)nn2)C	PC-id_118740610	291.349	SULBLCWVVNAQLZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052376
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)C1CCCC1	PC-id_68439790,SCHEMBL2915968	291.349	TWHLSDAKJXKXGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052377
CN1CCN(CCNC(=O)c2cn3c(n2)CCC3)CC1=O	ZINC22_1615046759,EMOLS-id_316914094,MCULE-7442968523	291.349	AIPOAWOTYFZRMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052378
CNC(=O)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110350314	291.349	ILYOQOIQCODEOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052379
CNC(=O)NC1CCCN(C1)C(=O)c1cn2c(n1)CCC2	MCULE-5135877801,EMOLS-id_319963472	291.349	KQYQIYKHHZDRAX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052380
CNC(=O)NC1CCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_318846678	291.349	JTGXVCUZHBPQGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052381
CNC(=O)NC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318848411	291.349	HFYBFTCKHJQLHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052382
O=C1N(CC(C1)C(=O)NCCc1n2CCCc2nn1)CC	PC-id_60445454	291.349	SHBOGTBLELFSSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052383
O=C1N(CCCC1)CC(=O)NCCc1n2CCCc2nn1	PC-id_78870670	291.349	JKDBRUQULLGRJO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052384
O=C(C1CCCCN(C1=O)C)NC1CC(n2c1ncn2)C	MCULE-5990586324,EMOLS-id_316455524	291.349	QSWJSZIFCVWTGQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052385
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)C1COCC1	EMOLS-id_319378566	291.349	NKMZELZRAZZIQX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-052386
O=C(C1NCc2c1c[nH]n2)NC1CC(=O)N(C1)C(C)(C)C	EMOLS-id_319808057	291.349	YYLOUMRJOBJKCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052387
O=C(CN1CCN(C(=O)C1)C)NCc1cnc2n1CCC2	EMOLS-id_319277730	291.349	VCVWQUDCBITKEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052388
O=C(CN1CCN(C(=O)C1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319470197	291.349	BCGJYRBHPRIIOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052389
O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)N(C)C	EMOLS-id_102332858	291.349	CXLPWIXCNBQEKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052390
O=C(N1CCN(C(=O)C1)C(C)C)NC1CCn2c1ncc2	EMOLS-id_316930154,MCULE-7680385961	291.349	XUANYTKDHDCMSM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052391
O=C(N1CCOCC1C1CC1)NCc1nnc2n1CCC2	EMOLS-id_98165337	291.349	YSNBGRFTKLVNDO-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-052392
O=C(NC1CCCCC1)NCC(=O)N1CCn2c1ncc2	EMOLS-id_279043924	291.349	INXQUDAFZFQACQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052393
O=C(NC1CC(n2c1ncc2)C)NC1CCCN(C1=O)C	EMOLS-id_316945176,MCULE-2778804283	291.349	GFAYGMUAZNQJCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052394
O=C(Nc1n(C)nc2c1CCC2)CN1CCN(C(=O)C1)C	EMOLS-id_100946697	291.349	NXAZTIDRVOKSKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052395
s1c2CCCc2cc1C/N=C
/N=[N+](C(=O)N(C1=O)C)C	PC-id_76895634	291.349	RIFCMPFWWMRLNO-SDNWHVSQSA-N	00000010100011000001000010000000000000000000000000000000	25-01-052396
n12n(CCC1)c(=Nc1ccccc1)nc2Nc1ccccc1	PC-id_21783735	291.35	MMPSPLXQFIRULO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052397
n1(nc2c(CCC2)c1C)N=c1ccn(cc1)c1ccncc1	PC-id_10062876	291.35	QAVDAGIAPNWIFV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-052398
n1(nc(c2CCCc12)C)N=c1ccn(cc1)c1ccncc1	PC-id_10613537	291.35	BWMBWQFHAIRFNR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-052399
OCCCn1nnc(CNC(c2n3CCCc3nn2)C)c1	PC-id_66269504	291.352	GMINOYOOFZDNGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052400
CC(c1ccc(o1)C(=O)O)NCc1sc2c(c1)CCC2	PC-id_103242947	291.365	JSECZSCDRLYLCY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052401
C#CCCCCC(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108019754	291.365	AWRUHMLYFWMCLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052402
COC(=O)c1coc(c1)CNCc1sc2c(c1)CCC2	PC-id_104586243	291.365	OCHYKNIRTFNKBW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052403
Oc1c(O)ccc(c1O)CNCc1sc2c(c1)CCC2	PC-id_103953405	291.365	KGWVDGLKLKJCSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052404
OC(=O)c1cc(c(o1)C)CNCc1sc2c(c1)CCC2	PC-id_103242944	291.365	VQPVNTMRAJJDCL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052405
OC(=O)c1cc(oc1C)CNCc1sc2c(c1)CCC2	PC-id_103242933	291.365	OTBBXBRLRNOKNW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052406
OC(=O)c1oc(cc1C)CNCc1sc2c(c1)CCC2	PC-id_103242943	291.365	CKPSFZQFASZUMM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052407
s1c2c(CCC2)cc1CNCc1c(occ1)C(=O)OC	PC-id_61206854	291.365	RTEGRBHKVABWDX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052408
s1c2CCCc2cc1CNCc1oc(cc1)C(=O)OC	PC-id_61207231	291.365	FVFZCODSYWGNSL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052409
s1c2c(CCC2)cc1C(NC)c1oc(cc1)C(=O)OC	PC-id_81615876	291.365	FJNVGZAFGMNBRU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052410
s1c(NC(=O)C2C3C2CCC3)c(c2c1CCC2)C(=O)O	PC-id_81611746	291.365	XARFITGJCHIMAO-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-052411
s1c(NC(=O)C2CC3C(C3)C2)c(c2c1CCC2)C(=O)O	PC-id_80465716	291.365	PJGHXUSAMIIGQB-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-052412
c12CN(Cc1n(nc2)CCO)Cc1csc(C(=O)C)c1	ZINC22_214965864,EMOLS-id_49866762,CHEMBL4546617,MCULE-7990679619,PC-id_77078760	291.369	CFKYLWCODLULGA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052413
c1(c(CC)ocn1)C(=O)NCCc1sc2c(CCC2)n1	PC-id_118770047,MCULE-9880928069,ZINC22_299759010,EMOLS-id_68889812	291.369	MMZIUFCHUYOSHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052414
c1(c(C)noc1C)C(=O)NCCc1sc2c(CCC2)n1	MCULE-7768169223,ZINC22_299767695,EMOLS-id_68878142,PC-id_118764631	291.369	NCJHDITUWOPILI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052415
c1(C(=O)NCCc2cccs2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_317427296,MCULE-3565188164	291.369	IWRGHWJRQIQDHL-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-052416
c1csc(CN2Cc3nc(COCC4CC4)oc3C2)n1	PC-id_97520325,ZINC22_96260249	291.369	GGFJVQYAPQZZJC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052417
c1(Nc2cc(OC)cc(OC)c2)n(C)nc2CSCc12	ZINC22_2100480936,EMOLS-id_337682104,MCULE-6497928519	291.369	VSUUMWJFJDPEFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052418
c1(NC(=O)c2ccco2)c2CSCc2nn1C(C)(C)C	EMOLS-id_24894862,ZINC22_4223287,PC-id_5065462,MCULE-9835625503,CoCoCo_4972690	291.369	LJJZLVINGYDMHE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-052419
c1(NC(=O)CN2CCOCC2)sc2c(CCC2)c1C#N	SPECS-id_AG-690/12887768,PC-id_899300,CoCoCo_3566450,EMOLS-id_3457141,ZINC22_19296530,MCULE-1494632413	291.369	ULZNJQZATVASHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052420
CC1(Cc2c(C1N(C=NCC(=O)OC)C#N)ccs2)C	PC-id_88527346,SCHEMBL9866851	291.369	TXTKOTHUNUSHLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052421
Cc1cc(ccc1C)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-2481727626,EMOLS-id_316442707	291.369	MFNMXDXNGBURJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052422
Cc1ccccc1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318512	291.369	YOGMURYEURSIRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052423
Cc1cccc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320550	291.369	IFBOXPRPJCDUTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052424
Cc1ccc(cc1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320565	291.369	VNEHLCUILXQSKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052425
Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320060916,MCULE-9015641373	291.369	FHJPLEHWQGSCIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052426
Cc1c(CCC(=O)Nc2sc3c(CCC3)n2)c(C)on1	EMOLS-id_11954882,ZINC22_14021053,PC-id_17417509,MCULE-4446598783,STOCK7S-41959,EMOLS-id_49394647,CoCoCo_4109968	291.369	CKPKXWAPRMIZBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052427
Cc1cc(CC(=O)NCCc2nc3CCCc3s2)on1	ZINC22_219980592,MCULE-1055212917,PC-id_91775351,EMOLS-id_55646248	291.369	GQKDYKQNORNSAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052428
Cc1ccsc1[C@@H](CO)NC(=O)c1cn2c(n1)CCC2	ZINC22_515386372	291.369	NRTHNVYGMNQNOY-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052429
Cc1ccsc1[C@H](CO)NC(=O)c1cn2c(n1)CCC2	ZINC22_515386373	291.369	NRTHNVYGMNQNOY-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-052430
Cc1csc(n1)NCCNC(=O)c1occ2c1CCC2	EMOLS-id_316581467	291.369	AMKYGIGEQXWRQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052431
Cc1nc(c(o1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102180321,MCULE-3710483652	291.369	AJGDOPMYKOQSTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052432
Cc1noc(C(C)C)c1C(=O)Nc1nc2c(s1)CCC2	PC-id_51073671,EMOLS-id_31854635,ZINC22_58265727,MCULE-4869701372	291.369	OVSIQOZXDPNAMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052433
Cc1oc(c(n1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102183537	291.369	JWCXNHNSAOUSKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052434
Cc1sc(c(c1)C(NC(=O)c1nn2c(c1)OCC2)C)C	EMOLS-id_318668461	291.369	VKHPVGIDZVWTIO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052435
CCc1ccc(cc1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318099633	291.369	KBMNSHZOJUJCOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052436
CC(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_316465577,MCULE-1648775695	291.369	HTJCJQFNTBLBGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052437
CCc1ccccc1S(=O)(=O)N1Cc2cnn(C)c2C1	MCULE-3077218212,ZINC22_585115017,EMOLS-id_177305696	291.369	JDVFWYAILOCJEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052438
CC(c1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_316742917	291.369	VPTFGSNYJFFUMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052439
CCCc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319003595	291.369	UTTBTDBKNSPWNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052440
Cn1ncc2c1CN(C2)S(=O)(=O)CCc1ccccc1	EMOLS-id_318015478	291.369	CUIGYEXJWFADEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052441
COc1cc(sc1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318403478	291.369	IJYPOLGLSVSBAY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052442
COc1cnc(c(n1)OC)C(c1sc2c(c1)CCC2)N	PC-id_105030928	291.369	CSMWVKVQOFUUSC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-052443
COCc1csc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320213880,MCULE-9050644204	291.369	PQGOBHOXIOLOGF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052444
COCc1csc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318836205	291.369	CGQSCGXBZVXBLU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052445
COCc1sccc1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319683367	291.369	NFKUZCCEORTSKB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052446
COCc1sccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319502846	291.369	AZUOQFFHXFYATE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052447
CS(=O)(=O)c1cccc(c1)NCc1cnc2n1CCC2	MCULE-7455117474,EMOLS-id_317969799	291.369	IUEYQCHQECHUHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052448
N#Cc1c(NC(=O)COC2(C)CNC2)sc2c1CCC2	PC-id_102656065	291.369	XNRWAAUCYBRDMB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-052449
O=C(C1CN(C(=O)C1)C1CC1)Nc1sc2c(n1)CCC2	MCULE-7604130648,EMOLS-id_35684087,PC-id_53500004	291.369	QDOIRGXJNFAKSG-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-052450
O=C(c1n[nH]c2c1CCC2)NCC(c1cccs1)(O)C	PC-id_111442254	291.369	FRQXXSYYCMQQNB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052451
O=C(c1n[nH]c2c1CCC2)NCC(c1cscc1)(O)C	PC-id_111451938	291.369	LHHGVHQVPXFEIL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052452
OCC(c1sccc1C)NC(=O)c1cn2c(n1)CCC2	MCULE-8577507046,EMOLS-id_316913325	291.369	NRTHNVYGMNQNOY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052453
OC[C@@H](NC(=O)c1sc2c(c1)CCC2)Cc1nc[nH]c1	EMOLS-id_318963154	291.369	BNNZSBXQJMTDHL-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-052454
OCCOc1ccc(cn1)NCc1sc2c(n1)CCC2	PC-id_109948769	291.369	CJOALAHMCCHWKH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052455
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(C2CC2)C1	ZINC22_25769456	291.369	QDOIRGXJNFAKSG-MRVPVSSYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-052456
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(C2CC2)C1	ZINC22_25769457	291.369	QDOIRGXJNFAKSG-QMMMGPOBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-052457
OC(=O)c1cnn(c1CNCc1sc2c(c1)CCC2)C	PC-id_116630910	291.369	AXTGHWIJDYPKSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052458
O=S(=O)(Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318838473	291.369	OBOINIQLPFXFPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052459
s1c2c(CCC2)c(c1NC(=O)C1C(NC)COC1)C#N	PC-id_66267225	291.369	XJLVNKJRNTYNLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052460
s1c2c(CCC2)c(c1NC(=O)C1(C(N)COC1)C)C#N	PC-id_66248901	291.369	VVVCNOJMCZGAKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052461
s1c2c(CCC2)c(c1NC(=O)C1NCC(OC)C1)C#N	PC-id_61258594	291.369	CFUJVVOBLXDUTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052462
s1c2c(CCC2)c(c1NC(=O)C1OC(CC1)CN)C#N	PC-id_80009158	291.369	LNQDOLZQGKXXNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052463
s1c2c(CCC2)c(c1NC(=O)CC1NCCOC1)C#N	PC-id_80421875	291.369	IYEGRCOXDNAVCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052464
s1c2c(CCC2)c(c1NC(=O)CC1OCCNC1)C#N	PC-id_66427461	291.369	MSJISBKLQOXQQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052465
s1c2CN(Cc2nc1N)CCOc1ccc(OC)cc1	PC-id_82194281	291.369	TWSGOXWRIWOSRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052466
c12SCCn1cc(CNC(=O)C(CC)n1cccn1)n2	MCULE-9247047722,PC-id_72840860,EMOLS-id_46027369,CHEMBL4555878	291.372	NLKRGDHFRHTSBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052467
C1COC(C1)c1nnc(s1)NCc1cnc2n1CCC2	MCULE-6142154087,EMOLS-id_318009080	291.372	PZZSQQMRERBFJK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-052468
c1(C(=O)Nc2nnc(CCCC)s2)c2CCCc2[nH]n1	EMOLS-id_323260338,MCULE-2430285393	291.372	DWOJOTQCGMFEEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052469
c1(C(=O)Nc2nnc(CC(C)C)s2)c2CCCc2[nH]n1	MCULE-7105150471,EMOLS-id_323254463	291.372	UHYBAIUUXYRXSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052470
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)sc(nc1C)C	MCULE-2635908480,EMOLS-id_317494426,PC-id_137335188	291.372	QORKKXLKHIBNDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052471
c1(C(=O)NCCCc2csc(N)n2)c2CCCc2[nH]n1	CHEMBL4548196,PC-id_77086153,ZINC22_215564273,MCULE-1619940844,EMOLS-id_49879684	291.372	SRXBLLOBCVPXTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052472
c1(NC(=O)CCc2ccnn2C)n(C)nc2CSCc12	EMOLS-id_316268354,ZINC22_1506421557,MCULE-7716464636	291.372	IOSUTWBLJWXFLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052473
c1(NC(=O)Cn2c(C)cc(C)n2)n(C)nc2CSCc12	PC-id_134702198,EMOLS-id_316184013,ZINC22_1529134311,MCULE-8775835835	291.372	ULRDTNRCXAASED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052474
Cc1csc(n1)NCCNC(=O)c1cn2c(n1)CCC2	EMOLS-id_278898857	291.372	QMYOEKPAYRYNOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052475
Cc1csc(n1)NCCNC(=O)c1cnn2c1CCC2	EMOLS-id_278898902	291.372	CUHRCUMEXRQDGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052476
Cc1nc(C)c(C(=O)NC[C@@H]2Cc3nnc(C)n3C2)s1	ZINC22_1772710396	291.372	QORKKXLKHIBNDE-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-052477
Cc1nc(C)c(C(=O)NC[C@H]2Cc3nnc(C)n3C2)s1	ZINC22_1772710404	291.372	QORKKXLKHIBNDE-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052478
Cc1ncsc1CCC(=O)NCc1nnc2CCCn12	PC-id_70758092,MCULE-8878014786,EMOLS-id_44442231,ZINC22_82127424	291.372	IONBVIPCNOKCRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052479
CCc1nc[nH]c1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_278779217	291.372	VVRXDUHFDXGWGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052480
CCc1scc(n1)C(NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318898917	291.372	NIGCINGZPUNXLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052481
CCc1scc(n1)CN(C(=O)C1NCc2c1c[nH]n2)C	MCULE-9424261417,EMOLS-id_319898485	291.372	XJBLPUPTEAEHTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052482
CCC(c1csc(n1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318758899	291.372	KZNSCHKHSMSCHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052483
CCCc1nc(c(s1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318648883	291.372	LIDFJTKVSOYCKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052484
CCC(c1scc(n1)C)NC(=O)C1NCc2c1c[nH]n2	MCULE-9686598290,EMOLS-id_320199524	291.372	RRRLMLIOGVPHOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052485
CCCC(c1[nH]nnn1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_49107174,MCULE-5102238393,PC-id_71971025	291.372	LYYYNHVFJNTXID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052486
CCC[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nnn[nH]1	PC-id_97184160,ZINC22_95287758	291.372	LYYYNHVFJNTXID-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052487
CCC[C@H](NC(=O)c1cc2c(s1)CCC2)c1nnn[nH]1	ZINC22_95287757,PC-id_97184159	291.372	LYYYNHVFJNTXID-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-052488
CC(C(C(=O)Nc1sc2c(n1)CCC2)n1cnnc1)C	EMOLS-id_319157560	291.372	HOVZJCMQPDGPFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052489
CC[C@@H](C(=O)NCc1cn2c(n1)SCC2)n1cccn1	PC-id_97132130,ZINC22_91655930	291.372	NLKRGDHFRHTSBK-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-052490
CC[C@H](C(=O)NCc1cn2c(n1)SCC2)n1cccn1	PC-id_97132131,ZINC22_91655931	291.372	NLKRGDHFRHTSBK-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052491
C[C@H](CNC(=O)c1nc2c(s1)CCC2)c1nncn1C	ZINC22_667991843	291.372	XLEBNTKUFMYPSP-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052492
C[C@@H](CNC(=O)c1nc2c(s1)CCC2)c1nncn1C	ZINC22_667991844	291.372	XLEBNTKUFMYPSP-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052493
CCn1nncc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183561	291.372	BTSPZHODWYHEIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052494
CCNc1sc(c(n1)C)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318554823,MCULE-8408314744	291.372	USOVYIGNADELHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052495
CCNc1scc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319879431	291.372	UJIREZXIBJWOPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052496
Cn1ccnc1SCC(=O)Nc1c2c(nn1C)CCC2	ZINC22_49425435,PC-id_47462235,EMOLS-id_42867736,MCULE-9614235820	291.372	MHASXHXYPRYWBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052497
CNc1snc(c1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319046555	291.372	RXSBDQFLGFBOGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052498
CN(C(c1cscn1)C(=O)NC1CCn2c1cnc2)C	MCULE-5960805593,EMOLS-id_320017592	291.372	NXUZCYAJGKVPHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052499
CN(C)Cc1nn(C)c2c1CN(C(=O)c1cscn1)C2	EMOLS-id_44369712,PC-id_97519172,ZINC22_96259082	291.372	NCNKQHDXHQZFML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052500
CN(C(C(=O)N1Cc2c(C1)cnn2C)c1ncsc1)C	EMOLS-id_319992872,MCULE-4700812940	291.372	IECZYRQNMQFFLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052501
CN(C(C(=O)NC1CCn2c1ncc2)c1ncsc1)C	EMOLS-id_318997961	291.372	CHLUSMYLIPKSGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052502
CN(C(=O)c1nn(c2c1CN(C2)Cc1nccs1)C)C	PC-id_97389056	291.372	FTTOZEPBJHBVDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052503
NCc1nnn(c1)CC(=O)NCc1sc2c(c1)CCC2	PC-id_115459571	291.372	LMKHSBZSKNEUME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052504
NCCc1scc(n1)C(=O)Nc1n(C)nc2c1CCC2	MCULE-2772373166,PC-id_120639227,EMOLS-id_302415216	291.372	DSGYILDGSGYMOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052505
NCCn1cc(C(=O)NCc2nc3c(s2)CCC3)cn1	ZINC22_1875292555	291.372	LRNDJORHPWLGLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052506
O=C(c1ccn(n1)C(C)C)NCc1cn2c(n1)SCC2	PC-id_122132061,EMOLS-id_172281874	291.372	PDPDTWDBYSHBSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052507
O=C(c1cnn(c1C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99834490	291.372	IQEJVMQOGSKGON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052508
O=C(C1NCc2c1c[nH]n2)Nc1nc(c(s1)C)C(C)C	EMOLS-id_318963839	291.372	KYOIDFPJFSHVRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052509
O=C(C1NCc2c1c[nH]n2)NCCc1sc(c(n1)C)C	MCULE-9514448911,EMOLS-id_320028144	291.372	VBKSTTOLOFOTGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052510
O=C(c1sc2c(n1)CCC2)NCC(c1nncn1C)C	MCULE-5341046152,EMOLS-id_316913806	291.372	XLEBNTKUFMYPSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052511
O=C(Cn1nccc1N)NCCc1sc2c(n1)CCC2	EMOLS-id_318835486	291.372	HLNZXZZFUHZNSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052512
O=C(NC1CC(n2c1ncc2)C)Nc1sc(c(n1)C)C	EMOLS-id_101393932	291.372	HUWHCIRXPXVCFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052513
O=C(Nc1[nH]nc(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007299	291.372	NSDYRQFEPPSJEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052514
O=C(Nc1sc(nc1C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101485283	291.372	VGAUYXPUIVJRHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052515
O=C(N(Cc1nnc2n1CCC2)C)Nc1csc(c1)C	EMOLS-id_318597394	291.372	YJJSQECVXSZQNL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052516
O=C(NCCc1ccsc1)NCc1nnc2n1CCC2	PC-id_53504136,EMOLS-id_35714026,ZINC22_48372758,MCULE-3307118209	291.372	VDHJPJDXQCZLSM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052517
s1c2CCCc2cc1CNC(=O)c1nnn(CCN)c1	PC-id_65945909	291.372	FVFMNCBTUTZXLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052518
s1c2CCCc2nc1NC(=O)c1nc([nH]n1)C(C)(C)C	PC-id_80385845	291.372	SRAULTCNHQRJRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052519
s1c2CCCc2nc1NC(=O)c1n(nc(c1N)CC)C	PC-id_66117808	291.372	WGLHFKKEYKJODR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052520
s1c2CCCc2nc1NC(=O)c1n(nc(c1N)C)CC	PC-id_66123312	291.372	DHARAHQJTJLUSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052521
s1c2CCCc2nc1NC(=O)c1n[nH]c(CCC)c1N	PC-id_62076944	291.372	IKCDKTPTZRDLRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052522
s1c2CCCc2nc1NC(=O)c1n[nH]c(C(C)C)c1N	PC-id_62077078	291.372	XXZHHLDALNXIJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052523
s1c2CCCc2nc1NC(=O)Cn1nc(c(N)c1C)C	PC-id_61507573	291.372	WANCSASPFKHVSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052524
s1c(CNC(c2n3CCCc3nn2)C)cc(c1)C(=O)N	PC-id_79614102	291.372	MDADCLAZZCBQAN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052525
s1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(N)c1C	PC-id_61108218	291.372	HYTVKJIWTAKGDO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052526
CCCNC(c1sc2c(c1)CCC2)CCC(F)(F)F	PC-id_104992703	291.376	BBOPXSMYBNLPCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052527
CCNC(c1sc2c(c1)CCC2)CCCC(F)(F)F	PC-id_105024304	291.376	OMSNVIVCEKZVJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052528
CC(NCc1sc2c(c1)CCC2)CCCC(F)(F)F	PC-id_116534647	291.376	GGVUZDWBVQCGRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052529
CNC(c1cccc(c1F)OC)c1sc2c(c1)CCC2	PC-id_105024790	291.384	HSGRAAWJQPSIAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052530
COc1cccc(c1F)CC(c1sc2c(c1)CCC2)N	PC-id_105035455	291.384	WMFHSFKNWQTXBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052531
COc1ccc(cc1F)CC(c1sc2c(c1)CCC2)N	PC-id_115829579	291.384	ODERSIUXBKXTPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052532
COc1ccc(c(c1)F)CNCc1sc2c(c1)CCC2	PC-id_102876307	291.384	WYJKRUKLYUQRRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052533
COc1cccc(c1F)CNCc1sc2c(c1)CCC2	PC-id_104791642	291.384	DRJZHUNAKMYDKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052534
Oc1ccc(c(c1)F)C(NCc1sc2c(c1)CCC2)C	PC-id_107715005	291.384	UIBZPPGHLXZQQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052535
s1c2c(CCC2)cc1C(NC)c1cc(F)c(OC)cc1	PC-id_43487604	291.384	RARWXHOZAFRRQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052536
s1c2CCCc2cc1CNCc1cc(F)c(OC)cc1	PC-id_61206673	291.384	ABOVZOASJUJICN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052537
s1c2c(CCC2)cc1C(NC)c1c(F)cc(OC)cc1	PC-id_43561396	291.384	ASYQXOLDYPYQAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052538
s1c2c(CCC2)cc1C(NC)c1c(OC)ccc(F)c1	PC-id_43485613	291.384	GEIXQAOFXZPETD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052539
s1c2c(CCC2)cc1CNC(c1c(O)ccc(F)c1)C	PC-id_80044390	291.384	QIYPKKIFBUAARX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052540
s1c2c(CCC2)cc1CNC(c1c(O)cc(F)cc1)C	PC-id_63067648	291.384	FPINWZAVRZACTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052541
s1c2c(CCC2)cc1CNCC(O)c1ccc(F)cc1	PC-id_61206681	291.384	JWHRCWMDZZTTHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052542
s1c2c(CCC2)cc1CNCC(O)c1cc(F)ccc1	PC-id_61207604	291.384	DFMDSLJJFXBGCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052543
s1c2c(CCC2)cc1CNCC(O)c1c(F)cccc1	PC-id_61207048	291.384	RJRLUQPLEGMQLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052544
s1c2c(CCC2)cc1C(O)C(CN)c1ccc(F)cc1	PC-id_65185324	291.384	HMZOVBNEXRUXPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052545
s1c2c(CCC2)cc1C(O)C(CN)c1cc(F)ccc1	PC-id_65190029	291.384	CSTPNKZVNNECDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052546
s1c2c(CCC2)cc1C(O)C(CN)c1c(F)cccc1	PC-id_65185870	291.384	XIHHMUOQZDHAAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052547
COC1CCC(C)(CNC(=O)c2occ3c2CCC3)CC1	ZINC22_585082064,EMOLS-id_177225728	291.385	WXSUYSDBSOGBCR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052548
O1CCCC(CC1)N1CC[C@H](C1)OC1CCc2c1occ2	PC-id_71192840,SCHEMBL14528667	291.385	NAQSAFLBTIDOCI-HWOWSKLDSA-N	00000010100000000100100010000000000000000000000000000000	25-01-052549
O(C1CN(C2CCCOCC2)CC1)C1CCc2c1occ2	PC-id_78025807	291.385	NAQSAFLBTIDOCI-UHFFFAOYSA-N	00000010100000000100100010000000000000000000000000000000	25-01-052550
CC1CCCC(C1)OCC(=O)NCc1cnc2n1CCC2	EMOLS-id_319486455	291.389	JZROWJQFSDGCBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052551
CC1CCC(CC1)OCC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319594032	291.389	IGKXNCQIRPWQPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052552
CC1(C)CC[C@H](CCNC(=O)c2cnc3n2CCC3)OC1	ZINC22_887412339	291.389	NALJRDWWHZKKKJ-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052553
CC1(C)CC[C@@H](CCNC(=O)c2cnc3n2CCC3)OC1	ZINC22_887412340	291.389	NALJRDWWHZKKKJ-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052554
CC1CC(CCN1C(=O)c1nn2c(c1)OCC2)C(C)(C)C	EMOLS-id_102573238	291.389	QAFAUWJIOWRMGL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052555
CC1(C)CCC(O)(CNC(=O)c2cn3c(n2)CCC3)CC1	ZINC22_1363490992,EMOLS-id_316933639,MCULE-8950941298	291.389	UAYZCCSVSXSALJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052556
CC1(CCC(OC1)CCNC(=O)c1cnc2n1CCC2)C	EMOLS-id_316945344,MCULE-6014689652,PC-id_136566842	291.389	NALJRDWWHZKKKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052557
CCC1OCCC(C1)CC(=O)NCc1n[nH]c2c1CCC2	MCULE-3151980049,EMOLS-id_320096423	291.389	SGTUFVZJTGMPKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052558
CC(C1OCCC(C1)CNC(=O)c1cnn2c1CCC2)C	EMOLS-id_101298204	291.389	AMJUSEZMXLVDMJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052559
CC(C1OCCC(C1)CNC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_101298213	291.389	ZKNXGJGFVOFAOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052560
CCCC1OCCC(C1)C(=O)NCc1cnc2n1CCC2	MCULE-9290669319,EMOLS-id_319916243	291.389	IWEXZHYVUWCTFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052561
CCCC1OCCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319422142	291.389	BXQNOOPGQFFKHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052562
CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_112041794,ZINC22_328614974,MCULE-1190571719	291.389	XJNFTJCUPZKMLI-YGRLFVJLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052563
CC(C)(CNC(=O)c1cnn2c1CCC2)C1(O)CCCC1	MCULE-5902402454,EMOLS-id_101506653,ZINC22_333725466	291.389	IXMYRQDRBZMVBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052564
CC(CO)(C1CCCCC1)NC(=O)c1n[nH]c2c1CCC2	PC-id_86792266,EMOLS-id_49940500	291.389	RVIQNRDLHNXLNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052565
CCCOC1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_102554472,EMOLS-id_50317759,MCULE-1346840041	291.389	KNTHFUPIFZHTLB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052566
CCCO[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	PC-id_98869541,ZINC22_108321289	291.389	KNTHFUPIFZHTLB-LBPRGKRZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052567
CCCO[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_108321286,PC-id_98869540	291.389	KNTHFUPIFZHTLB-GFCCVEGCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052568
C[C@@](CO)(NC(=O)c1n[nH]c2c1CCC2)C1CCCCC1	PC-id_97881148,ZINC22_97377661	291.389	RVIQNRDLHNXLNZ-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052569
C[C@](CO)(NC(=O)c1n[nH]c2c1CCC2)C1CCCCC1	ZINC22_97377660,PC-id_97881147	291.389	RVIQNRDLHNXLNZ-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052570
CCN(C(=O)c1cnn2c1CCC2)C1CCOC(C1)(C)C	EMOLS-id_318161321	291.389	SXTSKRWKZMOFKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052571
CCOC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_86266582,MCULE-8960998108,EMOLS-id_50145332	291.389	XBTFBFHASVYXLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052572
COC1(CCC(CC1)C)CNC(=O)c1cnn2c1CCC2	EMOLS-id_101290203	291.389	ZUBJBXRYIRLDJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052573
COC1CCC(CC1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319200254	291.389	AUIQJROUQWKUAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052574
COC1(CCCCCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318956794	291.389	IGTFMOLXLCGLPY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052575
COCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109739	291.389	ZPYIQKOLXITYQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052576
COC(C(=O)NCc1cnc2n1CCC2)C1CCCCC1	EMOLS-id_319078844	291.389	BWEJGCWRAIEGIL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052577
COC(C(=O)NCc1n[nH]c2c1CCC2)C1CCCCC1	EMOLS-id_319931376,MCULE-2985005905	291.389	WSIZQVUUDQJIQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052578
O=C(c1cc2n(n1)CCO2)N1CCCC(CC1)C(C)(C)C	EMOLS-id_102730924	291.389	JRYVIHVVCXVJOS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052579
OCC1(CCCCCCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319264087	291.389	ZWQCCBNVQNFUQQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052580
OCC1(CCCCCCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_319436321	291.389	XOGMPUFRANJAJM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052581
OCC1(CCCCCCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319378417	291.389	WLYQKCLNZHAYHE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052582
OCC1(CCCN1C(=O)c1nn2c(c1)CCC2)CC(C)C	EMOLS-id_101272163	291.389	SMLVQTDNRBNANW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052583
O=C(c1nn2c(c1)CCC2)NCC(C1(O)CCCC1)(C)C	EMOLS-id_101506665	291.389	RZPVNAGKVWJGOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052584
O=C(c1n[nH]c2c1CCC2)NCCOC1CCCCCC1	EMOLS-id_99355765	291.389	LUQJDGWVXAZDMA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052585
O=C(C1(O)CCCC(C1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319325208	291.389	BNQNBJNYSDXRDF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052586
O=C(CC1CCC(CO1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318796684	291.389	OWJNULAHQGBCMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052587
O=C(C(C1CCOCC1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319903596,MCULE-6054344699	291.389	LANZAHAVLSHZIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052588
OCC(CC1CCCC1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_97772413	291.389	NXIKFFLYPDLFKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052589
OCCC(C1CCCCC1)NC(=O)c1n[nH]c2c1CCC2	PC-id_112337918	291.389	SIHQHAUWDOBIAI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052590
O=C(C(OC1CCCCC1)C)NCc1cnc2n1CCC2	MCULE-2015353791,EMOLS-id_320016306	291.389	NTCYKDUYTFUWRH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052591
O=C(C(OC1CCCCC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320261921,MCULE-3720147061	291.389	JFDIYVVEVKMURW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052592
O=C(NCc1n[nH]c2c1CCC2)CCC1OCC(C1)(C)C	EMOLS-id_318784095	291.389	GTPFTXGTQKHONF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052593
O=C(NCc1n[nH]c2c1CCC2)COC1CCCCC1C	EMOLS-id_318770289	291.389	UFXUZRLJNYAMAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052594
O=CNCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N	SCHEMBL11611203,PC-id_54514928	291.389	YLTFXCVJHTYYLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052595
OC(=O)C1CCc2c1nc(s2)CSc1ccccc1	PC-id_104287255	291.389	ZWIYBDHPLOWSOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052596
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004085,MCULE-7604871482	291.39	IOCHGOQZUNEJLQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-052597
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004345,MCULE-3775266587	291.39	NGOJJNSRVXXHGR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-052598
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1C#N	MCULE-4445427344,EMOLS-id_331002296	291.39	YUOFMSCGLKODOV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-052599
OCCCN(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_105978011	291.39	ILVMXJNRLZADLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052600
S(=O)(=O)(NCCc1nc2SCCn2c1)CCOC	PC-id_7640573	291.39	BJLIRFXWUMYVKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052601
CC1CC1CN(C(=O)NCc1nnc2n1CCC2)C(C)C	EMOLS-id_48243567,PC-id_75374471,MCULE-4174410949	291.392	CSUKTZMESGIYDQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052602
CC1CCCC(N(C1)C(=O)NCc1nnc2n1CCC2)C	EMOLS-id_102674382	291.392	CTSRBMARGGMVPH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052603
CC1(C)CN(C(=O)NCCc2nnc3n2CCC3)C1(C)C	PC-id_75378394,MCULE-4394039607,ZINC22_86429382,EMOLS-id_48254629	291.392	ZTKYRBRJIRZYQO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052604
CC1CN(CC(C1)(C)C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102346444	291.392	DUJSOEJNIXJEBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052605
CC(C1CCCCN1C(=O)NC1CC(n2c1ncc2)C)N	EMOLS-id_101899738	291.392	AMTXXUICHPOJHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052606
CCC1CCNC(C1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_114428172	291.392	JNHRBHNZYIMFPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052607
CCC1CCNC(C1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_114428509	291.392	PINIJXSPFKLWPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052608
CC(C1(CNCC1)C(=O)NC(c1nnc2n1CCC2)C)C	PC-id_106979813	291.392	VUSIKIZJEUYGCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052609
CCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1	PC-id_75378398,MCULE-1204688601,ZINC22_86429836,EMOLS-id_48254641	291.392	OSBCSSVBLSNUGW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052610
CCCC1(CCCN1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_106974334	291.392	DDQRLGBHJJZDFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052611
CCCC1(CCCN1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_106974673	291.392	YNFMFEBMYDRUJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052612
CCCC1(CNC(=O)NCCc2nnc3n2CCC3)CC1	ZINC22_95414409,EMOLS-id_48260155,MCULE-8737137696,PC-id_75380364	291.392	NNMIYDQLBGTLIX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052613
CC(C(c1nnc2n1CCC2)NC(=O)N1CCC1(C)C)C	EMOLS-id_45658331,MCULE-4512628012,PC-id_71925082	291.392	LUULAUWXORFUBE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052614
CC(C(c1nnc2n1CCC2)NC(=O)N(C1CCC1)C)C	EMOLS-id_49076342,PC-id_71985674,MCULE-6061781427	291.392	MHTRJQLNURNWFI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052615
CC(C)CC1(CNC(=O)NCc2nnc3n2CCC3)CC1	ZINC22_96461905,EMOLS-id_49105444,MCULE-7896752781,PC-id_71971751	291.392	UKIRYKPJOQHCRB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052616
CC(C)(C)c1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324851433	291.392	YLUQODPCBBJNTE-TWGQIWQCSA-N	00000000100100000001000010000000000000000000000000000000	25-01-052617
CC(C)Cc1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324861669	291.392	ZMTJUUNCVRECBO-POHAHGRESA-N	00000000100100000001000010000000000000000000000000000000	25-01-052618
CC(C)[C@@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1	PC-id_97047924,ZINC22_86166631	291.392	AEDIZWRHVLAXFJ-LLVKDONJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052619
CC(C)[C@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1	ZINC22_86166634,PC-id_97047925	291.392	AEDIZWRHVLAXFJ-NSHDSACASA-N	00100010100000000001000010000000000000000000000000000000	25-01-052620
CC(C)[C@@H](NC(=O)/C=C/CN(C)C)c1nnc2n1CCC2	ZINC22_1875375912	291.392	UVDGIOTXGZNMTB-IZPAUZPXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052621
CC(C)[C@H](NC(=O)/C=C/CN(C)C)c1nnc2n1CCC2	ZINC22_1875375913	291.392	UVDGIOTXGZNMTB-OWNNVSBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052622
CC(C)[C@@H](NC(=O)N1CCC1(C)C)c1nnc2n1CCC2	PC-id_97079310,ZINC22_89801895	291.392	LUULAUWXORFUBE-GFCCVEGCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052623
CC(C)[C@H](NC(=O)N1CCC1(C)C)c1nnc2n1CCC2	ZINC22_89801894,PC-id_97079309	291.392	LUULAUWXORFUBE-LBPRGKRZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052624
CC(C)[C@H](NC(=O)N(C)C1CCC1)c1nnc2n1CCC2	ZINC22_96444029,PC-id_97586277	291.392	MHTRJQLNURNWFI-ZDUSSCGKSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052625
CC(C)[C@@H](NC(=O)N(C)C1CCC1)c1nnc2n1CCC2	ZINC22_96444030,PC-id_97586278	291.392	MHTRJQLNURNWFI-CYBMUJFWSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052626
CC(C)N1Cc2c(C1)n(C)nc2C(=O)N1CCN(C)CC1	ZINC22_96187566,PC-id_97462024,EMOLS-id_44325433	291.392	AQQUTXWIIDTUFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052627
CCCN1CCCC(C1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316602249	291.392	PVBVFAUZQKQKGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052628
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCc1nnc2n1CCC2	PC-id_96566128,ZINC22_80579725	291.392	CSUKTZMESGIYDQ-NEPJUHHUSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052629
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1nnc2n1CCC2	PC-id_96566129,ZINC22_80579734	291.392	CSUKTZMESGIYDQ-RYUDHWBXSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052630
CC(C)N(C[C@H]1C[C@H]1C)C(=O)NCc1nnc2n1CCC2	ZINC22_80579714,PC-id_96566126	291.392	CSUKTZMESGIYDQ-VXGBXAGGSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052631
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCc1nnc2n1CCC2	ZINC22_80579720,PC-id_96566127	291.392	CSUKTZMESGIYDQ-NWDGAFQWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052632
CC(C(N(C(=O)NCc1nnc2n1CCC2)C1CC1)C)C	MCULE-4365041401,EMOLS-id_45765684,PC-id_71857413	291.392	AEDIZWRHVLAXFJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052633
CC(C(=O)NCc1nnc2n1CCC2)N1CCCCCC1	EMOLS-id_99921198	291.392	WZVYGOMMEGFFJB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052634
C[C@@H]1CC[C@H](CC1)NC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_110773026	291.392	GQIHXEJYWVFOAR-XYWYRZBCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052635
CCN1CCCC1CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101657362	291.392	APYZNGVZXZUZPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052636
CCN1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101577069	291.392	MXXLAQOXLRACCQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052637
CCN1CCN(CC1)C(=O)c1nn2c(c1)C[C@@H](C2)N(C)C	EMOLS-id_316328759,MCULE-1459214231	291.392	WDBZKKJIZJOISZ-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052638
CC(NC1CCN(CC1)C(=O)NC1CCn2c1ncc2)C	EMOLS-id_319266749	291.392	UENMWQQKDWGKSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052639
CN1CCN(CC1)C(C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_111079416	291.392	GQMVLWPBHUYAER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052640
CN1CCN(CC1)C(C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-3212368199,EMOLS-id_320127650	291.392	UAZXCOQABDTYCN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052641
CN1CCN(C(C1)C(NC(=O)c1cn2c(n1)CCC2)C)C	EMOLS-id_278295998	291.392	UADRVYXELFJITI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052642
CN1CCN(C(C1)C(NC(=O)c1cnn2c1CCC2)C)C	EMOLS-id_278296031	291.392	AOAKOPFCNADWRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052643
CN1CCN(C(C1)C(NC(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_319692504	291.392	GRJHZLPAVYRXRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052644
CN1CCN(CC(C1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319609245	291.392	ZCJNUSIXBYIIFW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052645
CN1[C@H](C)CN(C[C@@H]1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422974	291.392	CAKDCGQBTYGWCV-UNTZMWQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052646
CN(C1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579319	291.392	AYXRZSSTJOFLRC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052647
CNc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C	PC-id_144940368	291.392	DRZVZZPMRIBQIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052648
CN(CC1CCCCC1)C(=O)NCc1nnc2n1CCC2	MCULE-9344988578,EMOLS-id_35718932,PC-id_53500723,ZINC22_45386909	291.392	AIFRVSDGGMKMEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052649
CN(C)C1CCN(CC(=O)NCc2n[nH]c3CCCc23)C1	EMOLS-id_68890320,PC-id_118770298,MCULE-3922089202	291.392	YFRJJSFJLNUXEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052650
CN(CC=CC(=O)NC(c1nnc2n1CCC2)C(C)C)C	MCULE-4071867069	291.392	UVDGIOTXGZNMTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052651
CN(C)[C@@H]1CCN(CC(=O)NCc2n[nH]c3c2CCC3)C1	ZINC22_299762800	291.392	YFRJJSFJLNUXEU-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052652
CN(C)[C@H]1CCN(CC(=O)NCc2n[nH]c3c2CCC3)C1	ZINC22_299762802	291.392	YFRJJSFJLNUXEU-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-052653
CN(C(=O)C1(CCCC1)CNC1CC(n2c1ncn2)C)C	EMOLS-id_316572911	291.392	XBDIATMYKQGWBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052654
CN(C(=O)C1(CNCC1)C(C)C)Cc1nnc2n1CCC2	PC-id_106980151	291.392	VLFKYFMITPZDGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052655
CNC(=O)CN1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_98849467	291.392	QZZLLRQOXWHLCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052656
n12c(=O)c(=Cc3ccsc3)sc1nc(C(C)(C)C)n2	MCULE-4729307714	291.392	YLUQODPCBBJNTE-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-052657
n12nc(nc1sc(=Cc1ccsc1)c2=O)CC(C)C	MCULE-9020972965	291.392	ZMTJUUNCVRECBO-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-052658
NCC1(CCCCC1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_115437315	291.392	ACNIEQDCDROUCD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052659
NCC1(CCCCC1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_115437570	291.392	BRTIHJRCQOMMTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052660
NCC1CCCCC1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101899729	291.392	FYLBLANSGFNSMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052661
NCC1(CCN(C1)C(=O)C1NCc2c1c[nH]n2)C(C)(C)C	EMOLS-id_319085535	291.392	IHLUVYUROWGAFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052662
NCC1CN(CCC1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101899720	291.392	MIGVXEMBMKGTLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052663
NCC(C1CCCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101899717	291.392	VJRGFRBOEUNLKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052664
NCC(C1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)(C)C	EMOLS-id_318832120	291.392	HKDIEGDHDQSOFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052665
OC1CCN(C1)[C@H]1CCC[C@H]1NCC1CCc2n1ncn2	EMOLS-id_316786856,MCULE-4582030135	291.392	QMRUMUHVOJBSIB-PQAZSJQKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-052666
O=C(C1CCCCC1(C)N)NC(c1nnc2n1CCC2)C	EMOLS-id_302920597,PC-id_120153181,MCULE-9973749620	291.392	YTWAQZPZSVCEAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052667
O=C(C1NCc2c1c[nH]n2)NCC1(CCCCC1)N(C)C	EMOLS-id_319215440	291.392	VEOXIAYUHYJBOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052668
O=C(C1NCc2c1c[nH]n2)NCCCN1CCCCC1C	EMOLS-id_319409209	291.392	ZPQSSFRPCQLDOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052669
O=C(C1NCc2c1c[nH]n2)NCCNC1CCCCCC1	EMOLS-id_319705310	291.392	ZSMWTHZAGTUTRD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052670
O=C(C1NCCCC1(C)C)NC(c1nnc2n1CCC2)C	PC-id_105567006	291.392	NETWAPRJRDEHKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052671
O=C(C1NCCCC1(C)C)N(Cc1nnc2n1CCC2)C	PC-id_105567346	291.392	REGUIBNMOORKLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052672
O=C(C(N1C(C)CCC1C)C)NCc1nnc2n1CCC2	EMOLS-id_97862801	291.392	XFMSWJJMZSTBIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052673
O=C(N1CCC(C(C1)(C)C)C)NCc1nnc2n1CCC2	EMOLS-id_102546320	291.392	WTALZUREONESGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052674
O=C(N1CCC(CC1)(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_102355845	291.392	XRUIPXNRQAXPLV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052675
O=C(N1CCCC(C1)(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_102431130	291.392	ACXSHVUXRMNNGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052676
O=C(N1CCCC(CC1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_102461266	291.392	MNBOQDVGURJTSG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052677
O=C(N1CCCCC(C1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_102775866	291.392	BPHBPPIOUCXXFC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052678
O=C(N1CCN(CC1)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101581110	291.392	LABAVNKXJOTBQF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052679
O=C(NC1CCCC1)NC(c1n2CCCc2nn1)C(C)C	PC-id_60273711	291.392	FRKULHWCXNSQDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052680
O=C(NC1CCCCC1)CCNC1CC(n2c1ncn2)C	EMOLS-id_316574946	291.392	WQHWCJCMFPFMAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052681
O=C(N(C1CCCCC1)CC)NCc1n2CCCc2nn1	PC-id_52216072	291.392	AVQVVJIYZSCMHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052682
O=C(NC1CCCCCCC1)NCc1n2CCCc2nn1	PC-id_52267111	291.392	IZXZPQOEFJMMFI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052683
O=C(NC1CC(n2c1ncc2)C)NCC1(CCC1)N(C)C	EMOLS-id_101366296	291.392	JHTBXUUMVNPICI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052684
O=C(NC1CC(n2c1ncc2)C)NCC1(N)CCCCC1	EMOLS-id_101899735	291.392	KLKGPQOHTJDHJI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052685
O=C(NC1CC(n2c1ncc2)C)NCCN1CCCCC1	EMOLS-id_101545180	291.392	MMAVUNYXCIMROR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052686
O=C(Nc1nnc(C2CC2)s1)c1cc2c(s1)CCC2	PC-id_52893458,MCULE-5155383721,EMOLS-id_50289062,ZINC22_60388474	291.392	RJMJOROJPBACNX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-052687
O=C(NC(c1n2CCCc2nn1)C)C1C(CCCC1)CN	PC-id_65882614	291.392	UVAABTUZTJBYOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052688
O=C(N(Cc1n2CCCc2nn1)C)C1C(CCCC1)CN	PC-id_65883408	291.392	UTRFFAORIQKDBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052689
O=C(N(Cc1n2CCCc2nn1)C)C1CCC(CC1)CN	PC-id_79511411	291.392	WGMFPVGACJRMGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052690
O=C(NC(c1n2CCCc2nn1)C)C1CCC(CC1)CN	PC-id_79511671	291.392	DEXGKEJTFICMEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052691
O=C(NC(c1n2CCCc2nn1)C)C1(CCCNC1)CC	PC-id_63130335	291.392	UKDNCKHHZOFTPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052692
O=C(N(Cc1n2CCCc2nn1)C)C1(CCCNC1)CC	PC-id_63131895	291.392	QPZKCKIVAWLXFN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052693
O=C(NC(c1n2CCCc2nn1)C)C1(CCNC1)CCC	PC-id_63139135	291.392	SKAKSZIXDUWZDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052694
O=C(N(Cc1n2CCCc2nn1)C)C1(CCNC1)CCC	PC-id_63143418	291.392	DQBIAQUZBJFVIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052695
O=C(NC(c1n2CCCc2nn1)C)C1(CCNCC1)CC	PC-id_63128153	291.392	DKAHBFRVKBXOCU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052696
O=C(N(Cc1n2CCCc2nn1)C)C1(CCNCC1)CC	PC-id_63128361	291.392	HTIFUKBAMCPDDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052697
O=C(NC(c1n2CCCc2nn1)C)C1C(N)CCCCC1	PC-id_80145447	291.392	BWJPQOGIHOAACO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052698
O=C(N(Cc1n2CCCc2nn1)C)C1C(N)CCCCC1	PC-id_80145837	291.392	YOSSZIZUDSTJTD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052699
O=C(NC(c1n2CCCc2nn1)C)C1(N)CC(CCC1)C	PC-id_64551255	291.392	PNZJXEQYGPHQLJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052700
O=C(N(Cc1n2CCCc2nn1)C)C1(N)CC(CCC1)C	PC-id_64553577	291.392	LZFGHUIMKHWWTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052701
O=C(N(Cc1n2CCCc2nn1)C)CC1(N)CCCCC1	PC-id_64677326	291.392	UCPUFQVPFJRLKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052702
O=C(NC(c1n2CCCc2nn1)C)CC1(N)CCCCC1	PC-id_64684206	291.392	IZNROXQZLSYMCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052703
O=C(N(Cc1n2CCCc2nn1)C)CCC1CCCNC1	PC-id_61705486	291.392	BCOUVEMWNSDYLI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052704
O=C(NC(c1n2CCCc2nn1)C)CCC1CCCNC1	PC-id_61707375	291.392	KMXYZSAHMCIPGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052705
O=C(NC(c1n2CCCc2nn1)C)CCC1CCNCC1	EMOLS-id_302707652,PC-id_62211235,MCULE-5572521915	291.392	XXTHFVIESLVFRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052706
O=C(N(Cc1n2CCCc2nn1)C)CCC1CCNCC1	PC-id_62211102	291.392	VAAAKXPDYRHUCZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052707
O=C(N(Cc1n2CCCc2nn1)C)CCC1NCCCC1	PC-id_62211103	291.392	RLNOUEGVWJJNDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052708
O=C(NC(c1n2CCCc2nn1)C)CCC1NCCCC1	PC-id_62211236	291.392	QQTNCLJSGKSLCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052709
O=C(NC(c1nnc2n1CCC2)C)NC1CCCCC1C	EMOLS-id_110758490	291.392	WFFUWNRSDHDZBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052710
O=C(NCCc1nnc2n1CCC2)N1CCCCCCC1	PC-id_75378395,EMOLS-id_48254631,MCULE-3549988149,ZINC22_86429518	291.392	DACKJYXYLVDSMF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052711
s1c2CCCc2c(c1NC(=O)CSCCC#N)C#N	PC-id_82531480	291.392	KTMVGNKQJPDFHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052712
s1c2CCCc2c(c1NC(=S)NC(=O)C1CC1)C#N	PC-id_4955489	291.392	ASJIWMSUDAUJIP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-052713
s1c2CNCc2nc1NC(=O)CSc1ccccc1	PC-id_82194127	291.392	FXQYXEQBEZRFNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052714
s1c2CN(Cc2nc1N)C(=O)CSc1ccccc1	PC-id_82194238	291.392	HGTAZZGZFHNODE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052715
CC1(n2c(n[nH]c2=S)/C(=NNc2ccccc2)/S1)C	PC-id_136756154	291.395	RJKNFCGTURALLS-XNTDXEJSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052716
Cc1nc(Nc2sc3c(n2)CCC3)nc(c1)C(=S)N	PC-id_107546958	291.395	ORQXRIDJLMSHNO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-052717
CCN1CCCC1CNC(=NCc1nnc2n1CCC2)N	PC-id_111039271	291.395	HUJIKARYZLPMRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052718
N#Cc1c(NCCc2cn3c(n2)SCC3)snc1C	MCULE-8205174081,EMOLS-id_317971144	291.395	LGKXSFMETUVXAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052719
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1cc2c(s1)CCC2	ZINC22_89917603	291.408	FLCMUTNEXGHMGH-HONMWMINSA-N	00001010100000000000001010000000000000000000000000000000	25-01-052720
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc2c(s1)CCC2	ZINC22_89917607	291.408	FLCMUTNEXGHMGH-GDLCADMTSA-N	00001010100000000000001010000000000000000000000000000000	25-01-052721
CC1(C)[C@H](NC(=O)c2cc3c(s2)CCC3)[C@H]2CCO[C@@H]12	ZINC22_246945765	291.408	FLCMUTNEXGHMGH-LERXQTSPSA-N	00001010100000000000001010000000000000000000000000000000	25-01-052722
CC1(C)[C@H](NC(=O)c2cc3c(s2)CCC3)[C@@H]2CCO[C@@H]12	ZINC22_246945780	291.408	FLCMUTNEXGHMGH-ZLKJLUDKSA-N	00001010100000000000001010000000000000000000000000000000	25-01-052723
CCCCCCCCN1C(=O)c2c(C1=O)c(sc2)C=C	PC-id_145836906	291.408	NOFUMNKJTXKYNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052724
CCNC(c1sc2c(c1)CCC2)c1ccc(o1)COC	PC-id_116007719	291.408	LOIPLBCPMQMYAP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-052725
COC1C2CCCC2C1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319195932	291.408	DGHMFSNXEOZMKV-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-052726
O=C(C1CCCCC1)Nc1sc2c(c1C(=O)C)CCC2	PC-id_142393453	291.408	NQJWVWSPBVBPBU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052727
O=C(c1sc2c(c1)CCC2)NC1C2CCOC2C1(C)C	EMOLS-id_45652567,MCULE-8103780001,PC-id_71929981	291.408	FLCMUTNEXGHMGH-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-052728
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)CC(=O)C	PC-id_79549681	291.408	QNZYNFRPFDLPCC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052729
CCCC1(C)Sc2c(C1=O)cc(s2)S(=O)(=O)N	PC-id_21735827,SCHEMBL9654181	291.41	RBQPLNQNMRDNAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052730
Cc1onc(c1C(NCc1sc2c(n1)CCC2)(C)C)C	MCULE-4121976615,EMOLS-id_318052063	291.412	VHTFVUXEJKBMNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052731
CCCc1c(CC)cc2n1C(=N)C(=C2SCC)C(=O)N	ZINC22_5591528,MCULE-6480234588,PC-id_3643314,TIMTEC310704	291.412	MKIPPAHOWMBFIF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-052732
CCCn1ncc(c1C(c1sc2c(c1)CCC2)N)OC	PC-id_105048737	291.412	MQPIPBWCFDKXBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052733
CC(Cn1ncnc1CC(c1sc2c(c1)CCC2)O)C	PC-id_115814127	291.412	BFUNGMBHOXJAGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052734
CCNC(c1c(OC)cnn1C)c1sc2c(c1)CCC2	PC-id_105047308	291.412	SHJKMTDZNNUATR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052735
CCN(Cc1oc2c(n1)CN(C2)Cc1ccsc1)CC	PC-id_97413692	291.412	AFBAOLHQBQJGPB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-052736
COc1cnn(c1C(c1sc2c(c1)CCC2)NC)CC	PC-id_105047658	291.412	NDRQTOWYCSYQMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052737
COc1cnn(c1C(c1sc2c(c1)CCC2)N)C(C)C	PC-id_105048138	291.412	YPZPSVFGAXOYQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052738
COc1n(C)nc(c1CNCc1sc2c(c1)CCC2)C	PC-id_115614704	291.412	HOJULUJIWKGQDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052739
n1c2CCCc2sc1CN1CCN(CC1)C(=O)C1CC1	MCULE-1487408432,ZINC22_108694577,PC-id_44060294,EMOLS-id_324183683	291.412	WMXSTDRNRQITSU-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-052740
N#Cc1c(sc2c1CCC2)NC(=O)C(CN)(CC)CC	PC-id_115432405	291.412	CYEDUVLZXJDJNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052741
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CC2C(C1)C2	EMOLS-id_102211657	291.412	NHRPJGZXAQDMBC-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-052742
s1c2c(CCC2)cc1C(=O)N1CCN(C2CNC2)CC1	PC-id_66204071	291.412	OYQHIRHSWJDHGF-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-052743
s1c2CCCc2c(c1NC(=O)CCCCCCN)C#N	PC-id_61259846	291.412	XDDXIJPPURBZOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052744
s1c2c(CCC2)c(c1NC(=O)C(CC(C)C)CN)C#N	PC-id_80113506	291.412	DWBAIUVKLVXDIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052745
s1c2c(CCC2)c(c1NC(=O)CCC(CCN)C)C#N	PC-id_64348362	291.412	WKHPOYVBHBOQDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052746
s1c2CCCc2c(c1NC(=O)CCCNC(C)C)C#N	PC-id_61260761	291.412	XGRQKRNRMCEAON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052747
s1c2CCCc2c(c1NC(=O)CCNC(C)(C)C)C#N	PC-id_61260942	291.412	SYLBJBQXLDGRIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052748
s1c2c(CCC2)c(c1NC(=O)C(C(N)(C)C)(C)C)C#N	PC-id_65269642	291.412	POUPPXSTPZEWJL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052749
s1c2c(CCC2)c(c1NC(=O)CC(N)C(C)(C)C)C#N	PC-id_81986534	291.412	WWVVSIPGPJGQLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052750
s1c2CCCc2nc1NC(=O)C(CCC)(CCC)C#N	PC-id_61875804	291.412	RSVBMTHOYQGMKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052751
s1c(C(=O)N2CC(N3CCNCC3)C2)cc2c1CCC2	PC-id_66203400	291.412	HROSFVYTKZTTKF-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-052752
S(=O)(=O)(Nc1sc2CCCc2n1)C(C)C(=S)N	PC-id_65567274	291.413	QNAUUDMMUGWZGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052753
c12SCCn1cc(CNC(C)Cn1ccnc1CC)n2	EMOLS-id_316243500,MCULE-1504388236	291.415	VYOWZGCUCFLLOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052754
CC(c1cnc(s1)CNCc1nnc2n1CCC2)(C)C	EMOLS-id_317921732,MCULE-3964155150	291.415	TYFBBKXMYPJKIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052755
CCc1nccn1C[C@@H](C)NCc1cn2c(n1)SCC2	ZINC22_1506404908	291.415	VYOWZGCUCFLLOJ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052756
CCc1nccn1C[C@H](C)NCc1cn2c(n1)SCC2	ZINC22_1506404912	291.415	VYOWZGCUCFLLOJ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-052757
CC(c1nnc(s1)CNCc1cnc2n1CCC2)(C)C	MCULE-1538940915,EMOLS-id_318390276	291.415	ZHDQHFLPBRZYAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052758
CC(C)c1nc(CN(C)Cc2nnc3n2CCC3)cs1	PC-id_75378121,ZINC22_95409821,EMOLS-id_48253967,MCULE-4617068334	291.415	NYJVMYXBDQDACC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052759
CCCn1ncnc1CC(c1sc2c(c1)CCC2)NN	PC-id_105319152	291.415	JBZOHYFVUFJIHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052760
CCCNC(c1sc2c(c1)CCC2)Cc1nnn(n1)C	PC-id_107065021	291.415	OMAQORPGAOWJQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052761
CC(n1ncnc1CNCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318174454,MCULE-6957813682	291.415	YGLXVEUSYHUECD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052762
CC(n1nnc(c1)CNCc1sc2c(n1)CCC2)(C)C	MCULE-7121366111,EMOLS-id_318641124	291.415	WYWQUJJACTYLGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052763
Cn1nc2c(c1CNc1nnc(C(C)(C)C)s1)CCC2	PC-id_136569626,ZINC22_902041519,MCULE-7464321462,EMOLS-id_316935422	291.415	DZBFKGISQBYXIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052764
NNC(c1sc2c(c1)CCC2)Cc1ncnn1C(C)C	PC-id_105317324	291.415	AUZCNFYJMTYDBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052765
s1c(c(nc1C)C(NC(c1n2CCCc2nn1)C)C)C	PC-id_43748033	291.415	VBUUIEFGQQVOGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052766
s1c(C(NC(c2n3CCCc3nn2)C)C)c(nc1C)C	PC-id_63751588	291.415	RMOPXSVBTLIMCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052767
c1(C(=O)NCCCCCCCCCC)c2CCCc2[nH]n1	MCULE-5759797025,EMOLS-id_335029285	291.432	BMNYUXLGBOSPQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052768
CC1CC(c2n1ccn2)NC1CC(C1(C)C)OC(C)(C)C	EMOLS-id_318315098,MCULE-6310611730	291.432	VDNOLUDMGVWBLS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052769
CC1CC(c2n1ccn2)NCC1CCCOC1C(C)(C)C	EMOLS-id_317949427,MCULE-8371741536	291.432	XLDHCWQUZGRJKH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052770
CC1CC(c2n1ccn2)N[C@@H]1C[C@@H](C1(C)C)OC(C)(C)C	EMOLS-id_320077856	291.432	VDNOLUDMGVWBLS-PQAZSJQKSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052771
CC(c1nn2c(c1)CCC2)NC1CCOC(C1)C(C)(C)C	EMOLS-id_318100472,MCULE-4802608203	291.432	UEZJYHWTFXPUND-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052772
CCCCCC[C@](C)(CCC)C(=O)N1Cc2c[nH]nc2C1	ZINC22_854583962	291.432	VANZWKMBOUSXRA-KRWDZBQOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052773
CCCCCC[C@@](C)(CCC)C(=O)N1Cc2c[nH]nc2C1	ZINC22_854583964	291.432	VANZWKMBOUSXRA-QGZVFWFLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052774
CC(C)CO[C@@H]1CCC[C@H](NCc2cnn3c2CCC3)C1	ZINC22_2325777903	291.432	MRPYGBNXDVZXNX-JKSUJKDBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052775
CC(O[C@@H]1C[C@@H](C1(C)C)NCc1cnc2n1CCC2)(C)C	MCULE-7109467717,EMOLS-id_320318105	291.432	HIPMXPBCOYHLSG-UONOGXRCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-052776
CN(CCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N)C	SCHEMBL11609597,PC-id_12894335	291.432	RLGIBNGYIPJTJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052777
CS(=O)c1ccc(cc1)CNC1CCc2c1scc2	MCULE-2537851246,EMOLS-id_318766334	291.432	UKZJBPFDESQXLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052778
Cc1csc(n1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_104771080	291.435	XGBAILCWESLQJU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052779
Cc1scc(n1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_116084273	291.435	BDHUHHKUVVLISY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-052780
CC(CN1CCC(CC1)NC(c1nnc2n1CCC2)C)C	PC-id_104646648	291.435	PIITUAWRANOKCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052781
C(NC1CCc2c1scc2)Cc1cn2c(n1)SCC2	EMOLS-id_318521187,MCULE-6025039779	291.435	QUXGBLRXXOTAPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052782
C(Nc1nc2c(s1)CCC2)Cc1nc2c(s1)CCC2	EMOLS-id_318554714,MCULE-6482087615	291.435	VWFDGVOTOCOHRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052783
N1(CCC(C(NC(c2n3CCCc3nn2)C)C)CC1)CC	PC-id_43748050	291.435	PRWVTGREVHYUSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052784
N1(CCC(NC(c2n3CCCc3nn2)C)CCC1)C(C)C	PC-id_65073601	291.435	GWECIKCHUIDIPE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052785
N1(CCC(NC(c2n3CCCc3nn2)C)CCC1)CCC	PC-id_65073603	291.435	XLYTZSAKQHCDFO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052786
N1(CC(C(NC(c2n3CCCc3nn2)C)C)CCC1)CC	PC-id_43748047	291.435	CKUIDZQFMSZFNC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-052787
N1C(CC(NC(c2n3CCCc3nn2)C)C)CCCCC1	PC-id_79541765	291.435	HVPILNOIXDTSGV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-052788
Nc1nsc(c1C1CC1)NCc1sc2c(c1)CCC2	PC-id_103359400	291.435	NLUCVIKMQWMDGO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-052789
N(Cc1sc2c(n1)CCC2)Cc1sc2c(n1)CCC2	EMOLS-id_318678542,MCULE-8627192622	291.435	INVQKLRYSYOUJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052790
s1c(CNC2C(C3OCCCC23)(C)C)cc2c1CCC2	PC-id_64863056	291.451	IJERIGBTPDWRBI-UHFFFAOYSA-N	00001010100010000000001010000000000000000000000000000000	25-01-052791
C1CCC(N(C1)Cc1sc2c(n1)CCC2)C1CCCN1	MCULE-4104565564,EMOLS-id_318134082	291.455	NTKZUBWCVXEYHP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-052792
C1CNC(C1)C1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318200821,MCULE-8914921981	291.455	MTZCKNZYFNVVTH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-052793
CC1(C)C(NCCc2cn3c(n2)SCC3)[C@H]2[C@@H]1CCC2	EMOLS-id_320202006,MCULE-3495679595	291.455	NQVSNJQUAQRKCY-AMIUJLCOSA-N	00001010100000000001001010000000000000000000000000000000	25-01-052794
N1CCC(C1)C1CCCN(C1)Cc1sc2c(n1)CCC2	MCULE-6173205353,EMOLS-id_318214075	291.455	XWNVNZJVAAUMBY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-052795
N1CCC(C1)C1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318337503,MCULE-6440280674	291.455	CKULWXHRCSLOIJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-052796
CCc1ccc(s1)CC(c1sc2c(c1)CCC2)NC	PC-id_115842287	291.475	QYVIRJHUBHVWRN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052797
CCCNC(c1ccsc1C)c1sc2c(c1)CCC2	PC-id_102841507	291.475	WWIWYZCREIQEGG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052798
CCCNC(c1sc2c(c1)CCC2)c1csc(c1)C	PC-id_104991267	291.475	ANWAMHSHAZMDHG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052799
CCNC(c1sc2c(c1)CCC2)CCc1cccs1	PC-id_115861162	291.475	QWALWHGOZJCLRA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052800
CCNC(c1sc2c(c1)CCC2)CCc1ccsc1	PC-id_115857232	291.475	ZGKHABYYIZXZHT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052801
s1c2c(CCC2)cc1C(N)c1sc(C(C)(C)C)cc1	PC-id_81632597	291.475	XWIZKZPRTVLSTC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052802
s1c2c(CCC2)cc1CNC(c1c(sc(c1)C)C)C	PC-id_61208354	291.475	BWTGWPWMXUBLLX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052803
s1c2c(CCC2)cc1CNC(c1sc(cc1)CC)C	PC-id_61335929	291.475	FSNLFAOCOPAESY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052804
s1c2c(CCC2)cc1C(NCC)c1c(sc(c1)C)C	PC-id_43491839	291.475	QQXTYNDVVIFMPW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052805
s1c2c(CCC2)cc1C(NCC)c1sc(cc1)CC	PC-id_43488345	291.475	MCSTXWODUOWINR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052806
s1c2c(CCC2)cc1C(NCC)c1sc(cc1C)C	PC-id_81155513	291.475	ROJOCQFHXYAKOO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052807
s1c2c(CCC2)cc1C(NCCC)c1sc(cc1)C	PC-id_43494088	291.475	QBXOGPRADPOVCY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052808
s1c2c(CCC2)cc1C(NCCC)c1sccc1C	PC-id_55006536	291.475	MPUKQOCVVXOHEM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052809
s1c2c(CCC2)cc1C(NCCC)Cc1ccsc1	PC-id_61078952	291.475	UFHUFAFUYIKINX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052810
s1c2c(CCC2)cc1C(NCCC)Cc1sccc1	PC-id_61066235	291.475	YWIFPCNSHVQGMV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052811
s1c2c(CCC2)cc1CNC(C(C)C)c1sccc1	PC-id_61206848	291.475	GRRWXWWPFGEPCJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052812
CC1(C)CC(NCc2sc3c(c2)CCC3)CC(C1)(C)C	PC-id_115998872	291.495	KQGGYWHCSARDAQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052813
CC(CC1CCCC(C1)NCc1sc2c(c1)CCC2)C	PC-id_107428345	291.495	LDNBJPFNSFGYFH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052814
CCCNC(c1sc2c(c1)CCC2)C1CCC(CC1)C	PC-id_104987993	291.495	UBMFERPSIWUFMV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052815
CCCNC(c1sc2c(c1)CCC2)C1CCCC(C1)C	PC-id_104991971	291.495	NHICVUZPKOODNL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052816
CCCNC(c1sc2c(c1)CCC2)C1CCCCCC1	PC-id_105027691	291.495	KCEAZFFESLWTDY-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-052817
CCCNC(c1sc2c(c1)CCC2)CC1CCCCC1	PC-id_115841999	291.495	POKBJWPSZUHECU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052818
CCCNC(c1sc2c(c1)CCC2)CCCCCC=C	PC-id_107011447	291.495	YFRMMUORCNFLFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052819
CCNC(C1CCCCC1CC)c1sc2c(c1)CCC2	PC-id_115862880	291.495	SURFYGXWEKHMCN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052820
CCNC(c1sc2c(c1)CCC2)C1CCC(C(C1)C)C	PC-id_104989563	291.495	UAVQCVLJCPEEPB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052821
CCNC(c1sc2c(c1)CCC2)C1CCC(CC1)CC	PC-id_104991059	291.495	PODZSGWTHFQGIN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052822
CCNC(c1sc2c(c1)CCC2)C1CCCC(C1)CC	PC-id_104992563	291.495	VOJDGEIXRNPAOM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052823
CCNC(c1sc2c(c1)CCC2)C1CC(C)CC(C1)C	PC-id_104989060	291.495	KLHLQTAEYDTUIN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052824
s1c(CNC2C(CCC(C2)C)C(C)C)cc2c1CCC2	PC-id_63452540	291.495	OMXUFPTWEFHFEC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052825
s1c(CNC2CCC(CCC2)C(C)C)cc2c1CCC2	PC-id_65091120	291.495	VRYHMMLWPIGOLJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-052826
s1c(CNC2CCC(CCC2)CCC)cc2c1CCC2	PC-id_65091166	291.495	HKRRHBWAYSDOFJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-052827
s1c(CNC2CCC(C(C)(C)C)CC2)cc2c1CCC2	PC-id_63452453	291.495	GQQDUELENQWAGJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052828
s1c(CNC2C(C(C)(C)C)CCCC2)cc2c1CCC2	PC-id_63452495	291.495	CYOSJJQLLABDPB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-052829
c1cc(c(cc1N=C1C(=Nn2c1nnn2)C(=O)N)Cl)O	SCHEMBL14342459,PC-id_136192832	291.653	HJZXDWLXJDJMJC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-052830
Clc1cc(C(=O)c2[nH]c3c(OC(=O)C3)c2)ccc1OC	SCHEMBL7675494,PC-id_18424143	291.686	OKFZNASPJBZWSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052831
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)Cl	MCULE-2157627975,PC-id_135635978,STOCK6S-50975,EMOLS-id_17106216	291.693	FGWJZJPMGNWIHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052832
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1Cl	STOCK6S-46189,PC-id_135629958,MCULE-9258412362,EMOLS-id_17099265	291.693	KYFXSPQQRYXMGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052833
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1	STOCK6S-49787,PC-id_135635967,EMOLS-id_17104443,MCULE-8849845461	291.693	FHIALKRTUGTTGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052834
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccccc1Cl	PC-id_135924958,ZINC22_13690044	291.693	KYFXSPQQRYXMGO-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-052835
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccccc1Cl	ZINC22_13690043,PC-id_135924957	291.693	KYFXSPQQRYXMGO-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052836
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1cccc(Cl)c1	PC-id_135899908,ZINC22_13693478	291.693	FHIALKRTUGTTGB-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052837
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1cccc(Cl)c1	PC-id_135899909,ZINC22_13693479	291.693	FHIALKRTUGTTGB-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-052838
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(Cl)cc1	PC-id_135897669,ZINC22_13721464	291.693	FGWJZJPMGNWIHA-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052839
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(Cl)cc1	ZINC22_13721467,PC-id_135897670	291.693	FGWJZJPMGNWIHA-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-052840
Clc1cc(/C=C/2CCc3c2[nH]c(c3)C(=O)O)cc(F)c1	PC-id_66873402,SCHEMBL1003890	291.705	HOUDSCPBOBOEDO-YCRREMRBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052841
Clc1cc(C=C2CCc3c2[nH]c(c3)C(=O)O)cc(F)c1	PC-id_66873403	291.705	HOUDSCPBOBOEDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052842
Fc1ccc(c(c1)Cl)C(=O)N/N=C/1CCn2c1ccc2	GD-id_ZINC41701462	291.708	MKNSBKNPUSAWHQ-SFQUDFHCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052843
COc1cccc(c1NC(=O)c1occ2c1CCC2)Cl	EMOLS-id_318453815	291.73	JAGIZSRAKUOEPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052844
c1(C(=O)Nc2ccc(c(Cl)c2)OC)c2CCCc2[nH]n1	PC-id_110388908,EMOLS-id_179744790,MCULE-3620030911	291.733	CJOHSALFKBYASH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052845
c1(C(=O)Nc2ccc(c(Cl)c2)OC)cn2c(CCC2)n1	EMOLS-id_321296602,MCULE-4539721076	291.733	RDLCALFWIWDCOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052846
c1(C(=O)Nc2c(OC)ccc(Cl)c2)c2CCCc2[nH]n1	EMOLS-id_179744793,PC-id_110388909,MCULE-4606083883	291.733	RYWIWHWPNVJCCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052847
c1(C(=O)Nc2c(OC)ccc(Cl)c2)cn2c(CCC2)n1	EMOLS-id_321296858,MCULE-7753374225	291.733	MXHMUTHJSNXLFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052848
Cc1cc(O)c(cc1C(=O)N1Cc2c(C1)cnn2C)Cl	EMOLS-id_318860530	291.733	IHYWMKINYYSFDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052849
CCc1ccc(cc1Cl)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318611228	291.733	XIJHLEXIUVHFNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052850
Clc1ccc(cc1)[C@@H](NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_318570014	291.733	BDUTUHMGMKXTSV-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-052851
Clc1ccc(cc1)[C@H](NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_318623693	291.733	BDUTUHMGMKXTSV-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052852
Clc1ccc(cc1)CN1CCn2c1c(C(=O)O)c(n2)C	SCHEMBL18740031	291.733	YSWDETYPIQWCCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052853
Clc1cccc(c1)CN1CCn2c1c(C(=O)O)c(n2)C	SCHEMBL18758520	291.733	DGKGTGPQWGOFBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052854
Clc1ccc(cc1)C(NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_318430373	291.733	BDUTUHMGMKXTSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052855
Clc1cccc(c1)C(NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_318622031	291.733	SNCFQJUXRXNKGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052856
Clc1ccc(c(c1)O)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319169196	291.733	YEQNRHHMZNIHTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052857
COc1cc(ccc1Cl)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_318476175	291.733	SLKLHYYWMJOZLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052858
COc1ccc(cc1Cl)NC(=O)c1cnc2n1CCC2	EMOLS-id_318383775	291.733	NBYTXCYGOWRLCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052859
COc1c(cccc1Cl)NC(=O)c1cnc2n1CCC2	EMOLS-id_318493834	291.733	NCYHUKNHTMWPDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052860
COc1cc(ccc1Cl)NC(=O)c1cnc2n1CCC2	EMOLS-id_318574395	291.733	LIJGXTOLCQINCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052861
COc1ccc(cc1Cl)NC(=O)c1cnn2c1CCC2	EMOLS-id_318421701	291.733	GJQHTSJLFRJODE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052862
COc1c(cccc1Cl)NC(=O)c1cnn2c1CCC2	EMOLS-id_318598201	291.733	PSGKZHBAHBYPGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052863
COc1cc(ccc1Cl)NC(=O)c1cnn2c1CCC2	EMOLS-id_318650596	291.733	YCDYHIXEUMGUND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052864
COc1ccc(cc1Cl)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318636915	291.733	UOPCOHOTWLINQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052865
COc1c(cccc1Cl)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318752879	291.733	MJDKMYSNXBBVIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052866
COc1cccc(c1NC(=O)c1cc2n(n1)CCC2)Cl	EMOLS-id_318533236	291.733	CDPISCAUMYQYMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052867
COc1ccc(c(c1)NC(=O)c1cc2n(n1)CCC2)Cl	EMOLS-id_318622206	291.733	YEFDXXQUJUJZRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052868
COc1ccc(c(c1)NC(=O)c1cnc2n1CCC2)Cl	EMOLS-id_318618394	291.733	KPWLFMQOROBFSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052869
COc1cccc(c1NC(=O)c1cnc2n1CCC2)Cl	EMOLS-id_318649032	291.733	ZFLODPZMKHMGTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052870
COc1ccc(cc1NC(=O)c1cnc2n1CCC2)Cl	EMOLS-id_318673985	291.733	VGGVPXCGVBYUIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052871
COc1ccc(c(c1)NC(=O)c1cnn2c1CCC2)Cl	EMOLS-id_318514945	291.733	LSFKSSZNIKBDDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052872
COc1ccc(cc1NC(=O)c1cnn2c1CCC2)Cl	EMOLS-id_318551529	291.733	QOGLXXLCIUJHOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052873
COc1ccc(cc1NC(=O)c1nn2c(c1)CCC2)Cl	EMOLS-id_318610417	291.733	DLPFJQGLDKOOTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052874
COc1cc(Cl)ccc1NC(=O)c1cnc2n1CCC2	EMOLS-id_318672107	291.733	FKOVLJACZHKUOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052875
COc1cc(Cl)ccc1NC(=O)c1cnn2c1CCC2	EMOLS-id_318644167	291.733	IUUHRWDQTCBQRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052876
COc1cc(Cl)ccc1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318650038	291.733	JOFINACKEJWPGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052877
Oc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_320339563,MCULE-7207787998	291.733	FATMAOVEBUFOBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052878
O=C(c1ccc(c(c1)O)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_320273055,MCULE-5223537269	291.733	VTXRIHKAKZZNAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052879
O=C(c1ccc(c(c1)O)Cl)NCc1cc2n(n1)CCC2	EMOLS-id_319662697	291.733	OGROXLNPQQSBCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052880
O=C(c1ccc(c(c1)O)Cl)NCc1cnc2n1CCC2	EMOLS-id_319463244	291.733	FZEBKNHBKCCKOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052881
O=C(c1cc(Cl)c(cc1C)O)NC1CCn2c1ncc2	MCULE-4091816808,EMOLS-id_319821455	291.733	HLHMWWVVTURMAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052882
O=C(c1nn2c(c1)OCC2)N[C@@H](c1ccccc1Cl)C	EMOLS-id_318487762	291.733	WUQZHFJWGIDGIR-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052883
O=C(c1nn2c(c1)OCC2)N[C@H](c1ccccc1Cl)C	EMOLS-id_318715390	291.733	WUQZHFJWGIDGIR-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-052884
OC(=O)c1cc(NCc2cnn3c2CCC3)ccc1Cl	EMOLS-id_319838002	291.733	RUHGVYKACWNXGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052885
Cc1ncc(c(n1)C(=O)NCc1cnc2n1CCC2)Cl	EMOLS-id_319719834	291.736	BCCCLMNASFEOLI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-052886
Cc1ncc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_318980772	291.736	BHGJYCQCLYQCEG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-052887
CCc1ncc(c(n1)C(=O)N1Cc2c(C1)cnn2C)Cl	EMOLS-id_319302561	291.736	VLFBFMZYXCMAFN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-052888
CC(c1nnc2n1CCC2)NC(=O)c1ccncc1Cl	PC-id_66482347,EMOLS-id_323947514	291.736	UXBMRUFXFZXFHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052889
C[C@H](NC(=O)c1cccc(Cl)n1)c1nnc2n1CCC2	ZINC22_51073335	291.736	JHSKUJYVUOQEAK-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052890
C[C@@H](NC(=O)c1cccc(Cl)n1)c1nnc2n1CCC2	ZINC22_51073336	291.736	JHSKUJYVUOQEAK-MRVPVSSYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052891
C[C@H](NC(=O)c1ccncc1Cl)c1nnc2n1CCC2	ZINC22_91450841	291.736	UXBMRUFXFZXFHR-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052892
C[C@@H](NC(=O)c1ccncc1Cl)c1nnc2n1CCC2	ZINC22_91450843	291.736	UXBMRUFXFZXFHR-MRVPVSSYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052893
CCNc1ncc(cc1Cl)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317927349	291.736	WREISULESIQSDW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052894
CCNc1ncc(cc1Cl)C(=O)N1CCn2c1ccn2	MCULE-8581160903,EMOLS-id_318714567	291.736	UAYZCOVRZXFCBD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052895
CCNc1ncc(cc1Cl)C(=O)N1CCn2c1ncc2	MCULE-4219792180,EMOLS-id_318667855	291.736	LGTBZRLZIJNHGF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052896
Clc1cccc(n1)C(=O)NC(c1nnc2n1CCC2)C	MCULE-8872292163,PC-id_62233467	291.736	JHSKUJYVUOQEAK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052897
Clc1cc(ncc1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_60707646	291.736	MNVIBRKQYRGEQH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052898
Clc1cc(ncc1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_60763951	291.736	KCQJXPRQTUDOJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052899
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)ccnc1	PC-id_66481985	291.736	XGSKPAYXJDFKJG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052900
Clc1c(C(=O)NC(c2n3CCCc3nn2)C)cncc1	PC-id_81226706	291.736	WFSVQTFNGOSWMR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052901
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)cncc1	PC-id_81227248	291.736	CLNQWLPQBSTZTJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052902
Clc1c(NC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_47137184	291.736	DDRXVPADJOAZCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052903
Clc1ncccc1C(=O)N(Cc1n2CCCc2nn1)C	PC-id_60707570	291.736	DCLVBDPDQYRSSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052904
Clc1ncccc1C(=O)NC(c1n2CCCc2nn1)C	PC-id_61040653	291.736	YQXVCRTXDMZMBO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052905
Clc1nccc(C(=O)N(Cc2n3CCCc3nn2)C)c1	PC-id_60763935	291.736	RXWXEVDGECBYHL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052906
Clc1nccc(C(=O)NC(c2n3CCCc3nn2)C)c1	PC-id_60763949	291.736	GDOOCLOOWONKIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052907
Clc1ncc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_60715565	291.736	GCPUAZZYPGWGCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052908
Clc1ncc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_61052819	291.736	IDABBWWOOPPFAD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052909
Clc1nc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_62233662	291.736	PTZIOWWPAANQRE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052910
O=C(NCc1nnc2n1CCC2)Nc1cccc(Cl)c1	ZINC22_10464421,CoCoCo_4490686,EMOLS-id_29609554,PC-id_24612533,MCULE-2910303336	291.736	BBBNNTDLPYHILL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052911
Fc1cccc(c1[C@@H]1C[C@H]1NC1CCn2c1ncc2)Cl	MCULE-6392586562,EMOLS-id_320091160	291.751	OOGZYTJULXGCEY-OCQGQDLMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-052912
CCN(C(=O)c1c(Cl)nc2n1CCS2(=O)=O)CC	PC-id_101698371	291.754	ZYCIKAPGSUXNFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052913
CCc1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324844262	291.756	HECZATLHNSVFAJ-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-052914
CCc1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324843236	291.756	AEMGYIQKKIKSAC-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-052915
Clc1c(C=CC2Sc3n(C2=O)c(nn3)C)cccc1	PC-id_18891893	291.756	WUFCRAAOUZDVQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052916
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CC	MCULE-3299739321	291.756	HECZATLHNSVFAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-052917
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)CC	MCULE-3852438104	291.756	AEMGYIQKKIKSAC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-052918
Clc1ncc(CN2CCn3c2c(sc3=N)C#N)cc1	PC-id_76308312	291.759	QISBZXWGMMYBTJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052919
N#Cc1c(NCc2ccc(nc2)Cl)nc2n1CCS2	PC-id_139835817	291.759	SFRSGTGJIGOMDS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-052920
c1(C(N)c2ccc(cc2)Cl)c2CCCc2oc1COC	MCULE-6574867755,PC-id_83610076	291.773	JPNURBKUFBRQRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052921
c1(C(N)c2cc(Cl)ccc2OC)c2CCCc2oc1C	PC-id_83610157,MCULE-6759776579	291.773	GEQHFIKZQJKKDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052922
Clc1cc(C(N)c2c3CCCc3oc2C)ccc1OC	PC-id_83610155	291.773	NRZUEOZHSIYRBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052923
C1Cc2c(sc(c2C(=O)OC)NC(=O)CCl)S1	MCULE-3906501143,PC-id_2777481	291.774	FBLFQOLXOSTEKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052924
C/C=CC=C(/C(=C)[C@@H]1CCc2n1nc(n2)C(=O)CC)Cl	SCHEMBL20645829,PC-id_137412428	291.776	NMFNHBXHHCVYGK-QSFOOOFLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-052925
COc1ccc(cc1Cl)CNC1CC(n2c1ncc2)C	EMOLS-id_317944959,MCULE-3375208895	291.776	VKOUAOOAEGRZLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052926
COc1ccc(c(c1)Cl)CNC1CC(n2c1ncc2)C	EMOLS-id_318079030,MCULE-4427739382	291.776	VOPQBWRGMCBYOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052927
COc1cccc(c1CNC1CC(n2c1ncc2)C)Cl	EMOLS-id_317920409,MCULE-3661898965	291.776	GZCIZXMXOCSHPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052928
COc1ccc(cc1CNC1CC(n2c1ncc2)C)Cl	EMOLS-id_318283523,MCULE-2050145557	291.776	NVFOXULPRDOADJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052929
COc1ccc(c(c1)NC(c1cc2n(n1)CCC2)C)Cl	MCULE-5207858693,EMOLS-id_318368842	291.776	NXMDDHVFKMOSTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052930
COc1ccc(cc1NC(c1nn2c(c1)CCC2)C)Cl	EMOLS-id_318180608,MCULE-3398007326	291.776	GQFJEJKFQLZVKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052931
COc1ccc(Cn2nc3CCC(C)c3c2N)cc1Cl	MCULE-1563996326,EMOLS-id_331012515	291.776	XNMBYPFJCMHLJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052932
COc1ccc(Cn2nc3CCC(C)c3c2N)c(Cl)c1	EMOLS-id_331012771,MCULE-8002716587	291.776	YMCNADLVVQKRCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052933
COc1ccc(Cn2nc(N)c3C(C)CCc23)cc1Cl	EMOLS-id_330963446,MCULE-6721721068	291.776	BJRDRXUAEVYPLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052934
COc1ccc(Cn2nc(N)c3C(C)CCc23)c(Cl)c1	MCULE-2241826302,EMOLS-id_330963702	291.776	BSRDQCZLEDNSPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052935
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1N	MCULE-1381686427,EMOLS-id_331012007	291.776	FPCKLZLKWMKTBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052936
COc1cc(Cl)ccc1Cn1nc(N)c2C(C)CCc12	MCULE-1558743329,EMOLS-id_330962938	291.776	AFRBKYNMRQKYKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052937
COc1cc(Cl)ccc1CNC1CC(n2c1ncc2)C	MCULE-6619181142,EMOLS-id_318553760	291.776	LGJAOBFHZXEKLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052938
COc1cc(Cl)c(cc1NCc1cnc2n1CCC2)C	EMOLS-id_317965731,MCULE-6237950901	291.776	GIABIYXKAWIGBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052939
COc1cc(Cl)ccc1NC(c1nn2c(c1)CCC2)C	EMOLS-id_318553961,MCULE-4896441140	291.776	RYPHWCWZJCRNHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052940
COc1cc(Cn2nc3CCC(C)c3c2N)ccc1Cl	EMOLS-id_331011751,MCULE-1329049040	291.776	FAEQMEYUQGPKHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052941
COc1cc(Cn2nc(N)c3C(C)CCc23)ccc1Cl	MCULE-4565185971,EMOLS-id_330962682	291.776	JKOUVLFGVVITIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052942
COc1cc(CNC2CC(n3c2ncc3)C)ccc1Cl	EMOLS-id_318011802,MCULE-7332749123	291.776	ONCSYQCWPIDVPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-052943
Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1Cl	ZINC22_7653729,PC-id_8761959,MCULE-6579102693,EMOLS-id_18824891,CoCoCo_3259850	291.796	BRQGXVMXEQVDLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052944
Cc1ccc(NC(=O)c2cc3c(s2)CCC3)c(Cl)c1	PC-id_2348979,CoCoCo_3337052,ZINC22_3230863,EMOLS-id_2985948,MCULE-7373722732	291.796	OYPBBJWAHHKXQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052945
Clc1c(cc(C(=O)c2c3CCCc3sc2N)cc1)C	PC-id_28337437	291.796	FNHMBIVOLDIDFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052946
Clc1cc(c(NC(=O)c2sc3CCCc3c2)cc1)C	PC-id_8780081	291.796	YKIRUXJUZNGCLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052947
Clc1cc(CNC(=O)c2sc3CCCc3c2)ccc1	PC-id_9209827	291.796	YSLSIFDNDQSKBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052948
Clc1cc(NC(=O)c2sc3CCCc3c2)c(cc1)C	PC-id_8502255	291.796	XNQJHAXOYWRNGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052949
Clc1c(c(NC(=O)c2sc3CCCc3c2)ccc1)C	PC-id_9204225	291.796	XTCATAOQUMPPIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052950
Clc1sc(N(Cc2ccccc2)C)c2c1CCC2=O	PC-id_23434064,SCHEMBL6799619	291.796	KXKJCWJSIWHHPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052951
ClCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_113270915	291.796	RSLUKMOBCYAJKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052952
ClCc1ccccc1NC(=O)c1sc2c(c1)CCC2	PC-id_113271906	291.796	AROLLUOZKPFWPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052953
ClCc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_114299819	291.796	RCMDKNPJEOYDOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052954
O=C(NCc1ccc(Cl)cc1)c1cc2c(s1)CCC2	PC-id_2348577,MCULE-5102783128,EMOLS-id_43818092,ZINC22_3230509,CoCoCo_3237993	291.796	RHSGZNQFAMPMBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052955
Clc1sc2c(C(NC3CS(=O)(=O)CC3)CC2)c1	PC-id_81252768	291.817	RQOWSYTWGCQTHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052956
ClC(=C(c1sccc1)C#N)c1sc2CCCc2c1	EMOLS-id_314140150,PC-id_76945403	291.819	KHVPWFKJMAVHQS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052957
Cl/C(=C(c1sccc1)/C#N)/c1sc2CCCc2c1	PC-id_62502214	291.819	KHVPWFKJMAVHQS-UVTDQMKNSA-N	00000010100100000000000010000000000000000000000000000000	25-01-052958
Cc1ccc(c(c1)Cl)CC(c1sc2c(c1)CCC2)N	PC-id_106866863	291.839	LFTJHCICAYLSOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052959
Cc1ccc(c(c1)Cl)CNCc1sc2c(c1)CCC2	PC-id_106862454	291.839	HBAPMKXJPHCFSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052960
CCc1ccc(cc1)CNC1CCc2c1cc(s2)Cl	PC-id_106899450	291.839	RMDVFIUZGVCWKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052961
CCNC(c1ccccc1Cl)c1sc2c(c1)CCC2	PC-id_115801657	291.839	UQERZSMITVRZOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052962
CCNC(c1sc2c(c1)CCC2)c1cccc(c1)Cl	PC-id_115812129	291.839	MJSPCFWHXBJYBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052963
Clc1ccc(c(c1)C)CNCc1sc2c(c1)CCC2	PC-id_104854140	291.839	BEZFEIOOCBNVPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052964
Clc1cc(C)c(cc1C(c1sc2c(c1)CCC2)N)C	PC-id_115483783	291.839	FAYUGPWMPIPYER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052965
Clc1ccc(CC(NC)c2sc3c(CCC3)c2)cc1	PC-id_61065380	291.839	BIIHDKGVAZOZFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052966
Clc1c(cc(C(N)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64212178	291.839	YSBZXFLMZSXWKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052967
Clc1ccc(C(NCc2sc3c(CCC3)c2)C)cc1	PC-id_61207392	291.839	TZLSMCHYKBLPAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052968
Clc1cc(CC(NC)c2sc3c(CCC3)c2)ccc1	PC-id_62504791	291.839	IBTFGMMFAKNMIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052969
Clc1ccc(C(NCC)c2sc3c(CCC3)c2)cc1	PC-id_43488924	291.839	KXNVMOKHJHIVJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052970
Clc1cc(CNCc2sc3c(c2)CCC3)ccc1C	PC-id_106816679	291.839	ZOHMKJXPACWDLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052971
Clc1c(CC(NC)c2sc3c(CCC3)c2)cccc1	PC-id_61077638	291.839	FSUQQRZATSZAOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052972
Clc1cc(C(NCc2sc3c(CCC3)c2)C)ccc1	PC-id_61207962	291.839	PLQBRNQPMYWQLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052973
Clc1c(C(NCc2sc3c(CCC3)c2)C)cccc1	PC-id_61207393	291.839	HOGUHXZYMXRTDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052974
Clc1sc2CCC(Nc3ccc(C(C)C)cc3)c2c1	PC-id_81251823	291.839	BCPTWLABRJWXMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052975
Clc1sc2CCC(Nc3cc(C(C)C)ccc3)c2c1	PC-id_81252378	291.839	WXLJTFJGNAOTQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052976
Clc1sc2c(C(Nc3c(cc(cc3C)C)C)CC2)c1	PC-id_81252588	291.839	LIRNEMOXXUJEGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052978
Clc1sc2c(C(Nc3c(CC)cccc3C)CC2)c1	PC-id_81252692	291.839	XSAOOPAISVUPED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052979
Clc1sc2c(C(Nc3c(C(C)C)cccc3)CC2)c1	PC-id_81251932	291.839	GFPCXZQKLKYQKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052980
Clc1sc2c(C(Nc3c(CCC)cccc3)CC2)c1	PC-id_81252683	291.839	KJELSLREYJXMRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052981
Clc1sc2c(C(NC(c3ccc(cc3)C)C)CC2)c1	PC-id_81251309	291.839	OVUPQAVNHXELLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052982
Clc1sc2c(C(NC(c3c(cccc3)C)C)CC2)c1	PC-id_81252673	291.839	MBOXAODQWSUTCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052983
Clc1sc2c(C(NCc3c(CC)cccc3)CC2)c1	PC-id_81252080	291.839	NCQHMLYVPUIXJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052984
Clc1sc2c(C(NCCc3cc(ccc3)C)CC2)c1	PC-id_81251318	291.839	VYNFFOGMGDQUIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052985
Clc1sc2c(C(NCCc3c(cccc3)C)CC2)c1	PC-id_81252307	291.839	UKVRRWVOZZJELQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052986
Clc1sc2c(C(NCC(c3ccccc3)C)CC2)c1	PC-id_81252571	291.839	BLCNVJOUHPXULE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052987
Clc1sc2c(C(NC(Cc3ccccc3)C)CC2)c1	PC-id_81252601	291.839	ZEIUJGBXNXBBHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052988
Clc1sc2c(C(NCCCc3ccccc3)CC2)c1	PC-id_81251711	291.839	HRPBFZHGHYQSNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052989
Clc1sc2c(C(NC(CC)c3ccccc3)CC2)c1	PC-id_81252805	291.839	JSOBKVTWUBQGIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052990
Clc1sc2c(C(N[C@@H](c3ccc(cc3)C)C)CC2)c1	PC-id_81349246	291.839	OVUPQAVNHXELLE-YNODCEANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052991
Clc1sc2c(C(N[C@H](c3ccc(cc3)C)C)CC2)c1	PC-id_81349992	291.839	OVUPQAVNHXELLE-ZSOXZCCMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052992
Clc1sc2c(C(N[C@@H](c3cc(ccc3)C)C)CC2)c1	PC-id_81363708	291.839	DFGVLJFMXKALIO-YNODCEANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052993
Clc1sc2c(C(N[C@H](c3cc(ccc3)C)C)CC2)c1	PC-id_81363975	291.839	DFGVLJFMXKALIO-ZSOXZCCMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052994
Clc1sc2c(C(N[C@@H](c3c(cccc3)C)C)CC2)c1	PC-id_81373802	291.839	MBOXAODQWSUTCS-YNODCEANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052995
Clc1sc2c(C(N[C@H](c3c(cccc3)C)C)CC2)c1	PC-id_81374701	291.839	MBOXAODQWSUTCS-ZSOXZCCMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052996
CNC(c1ccc(c(c1)Cl)C)c1sc2c(c1)CCC2	PC-id_107561761	291.839	GEXKPAUNZARHGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-052997
CC(CSC)(CNC1CCc2c1cc(s2)Cl)O	PC-id_114163510	291.86	CWIKKLPXSNNGPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052998
CC(C(SC)CO)NC1CCc2c1cc(s2)Cl	PC-id_106158923	291.86	HJQHGCYXZBXCOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-052999
CC(NC1CCc2c1cc(s2)Cl)CCS(=O)C	PC-id_113348839	291.86	LTDRLHQVQBJOFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053000
CC(S(=O)C)CCNC1CCc2c1cc(s2)Cl	PC-id_113348978	291.86	JFOADYDXWBONLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053001
OCCCSCCNC1CCc2c1cc(s2)Cl	PC-id_106309468	291.86	AJPRPHMWEAYYML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053002
C1=CC=C(C(=C1)C(=O)NC2=NC3=C(S2)C=CS3=O)O	PC-id_153947185	291.998	CRTNZAONSMABKZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-053003
COC(=O)c1nc(c2n1CCC2)I	PC-id_122522162,SCHEMBL18055818	292.074	XAQZNGDVXIIPQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053004
CC(C)(C)n1nc2COCc2c1I	MCULE-7970685013,EMOLS-id_324401237	292.117	ICEYSEYLNGDZJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053005
Brc1cccc(c1)C(=O)n1cc2c(c1)COC2	PC-id_21421142,SCHEMBL11685456	292.128	UEKLCXWNDIWCBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053006
O=C1N(Cc2ccccc2)Cn2c1ncc2Br	PC-id_140263710	292.131	WTERWPNKDIRXJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053007
CC(=O)c1c(I)sc2c1CCC2	SCHEMBL19320690	292.137	AZENSJGHSYAYCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053008
C1CC2=NN=C(N2C1)CC3=CC=C(C=C3)NC4=NC=CC=N4	PC-id_154800520	292.144	ZPBYNTDTEYKWJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053009
CC(C1=C(SC2=C1CCC2)N=CN)OC3CCCCC3	PC-id_163560556	292.161	FQWCTBGVMDFDOR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053010
Brc1sc(NC(=O)C)c2c1CSC2=O	PC-id_86090570	292.173	NTNIQEVAPYDTGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053011
Brc1ccc(cc1)Cn1nc2c(c1N)CCC2	EMOLS-id_41192217,PC-id_65348784	292.174	XWHZNDPGKHJPEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053012
Brc1ccccc1Cn1nc2c(c1N)CCC2	EMOLS-id_41192221,PC-id_65348833	292.174	GFPYNYLCUXCIMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053013
Brc1cccc(c1)Cn1nc2c(c1N)CCC2	PC-id_65348832,EMOLS-id_41192219	292.174	NKIZAOIQWAEBBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053014
Brc1cccc(c1)CNC1CCn2c1ncc2	EMOLS-id_317934262,MCULE-7942661916	292.174	XCDMTLNRPVGJES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053015
Brc1ccc(cc1)CNC1CCn2c1ncc2	MCULE-5768661677,EMOLS-id_317924759	292.174	UODLROLSPUKCNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053016
Brc1cccc(c1)NCc1cnc2n1CCC2	EMOLS-id_317955154,MCULE-5265721405	292.174	NYNOUZPLTJXJSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053017
Brc1ccc(cc1)NCc1cnc2n1CCC2	EMOLS-id_317967214,MCULE-1451595383	292.174	IYKNVCPNLZIOHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053018
Brc1ccccc1NCc1cnc2n1CCC2	MCULE-9250472464,EMOLS-id_317917037	292.174	NKTQEXPINZTWBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053019
c12CN(Cc1nn(C)c2Br)Cc1ccccc1	MCULE-1174325623,EMOLS-id_324337774	292.174	JDGPGDXDNMDXRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053020
Cn1ncc2c1CN(Cc1ccccc1Br)C2	MCULE-4052316555,ZINC22_585135946,EMOLS-id_177314782	292.174	JWKLTZKNQJCWGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053021
CC(C)CCCC(C)CCOC1=C2C(=C(N1)O)C=NC2=O	PC-id_153332835	292.179	PSGXKVYQNFETCU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-053022
Cc1cc2c(s1)CC(C2I)(C)C	PC-id_134355212,SCHEMBL19981578	292.18	CAEIUHCYMPFLHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053023
CC(C)(C)ON1Cc2c(sc(c2C1=C=O)Cl)Cl	SCHEMBL9182603,PC-id_86748382	292.182	OBZLCNGGJXTZJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053024
CCOC1(CCCC1)CNC(=O)N[C@H]2CCN3C2=NC=C3	PC-id_164633532,ZINC22_1434807502	292.19	NEFUNQPGOYRWDJ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053025
Brc1c2c([nH]c1C(C)(C)C)CS(=O)(=O)C2	PC-id_84814989	292.193	OHZVJFMFHMFUGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053026
O=C(OCC(F)(F)F)NCC(=O)N1CCn2c1ncc2	MCULE-9386995510,EMOLS-id_258164392	292.215	QEDUIGUCDHGLIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053027
ClCCN(C(=O)c1sc2CCCc2c1)CCCl	PC-id_81935039	292.225	NJKBUAALQDAGFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053028
ClCC(NC(=O)c1sc2c(CCC2)c1)(CCl)C	PC-id_81966054	292.225	ZUKSQLTXXVCJAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053029
CC(F)(F)C1CCc2nc(nn12)C(=O)N1CC(F)(F)C1	BindingDB-id_1065689,PC-id_134563839,SCHEMBL20213469	292.233	VIJFOFJWLQXLCO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053030
O=c1n(OCc2ccc(cc2)[N+](=O)[O-])c(=O)n2n1CCC2	PC-id_102523856	292.247	WBPHPSRWJNLZEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053031
N#Cc1c(sc2c1CCC2)NC(=O)C(C(F)F)(F)F	PC-id_103737532	292.253	SSFZRZASILCGTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053032
c12CN(Cc1nn(CC(F)(F)F)c2CNC)C(=O)OC	EMOLS-id_324352354,MCULE-4269728437	292.258	IDJDSJVNVKUJDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053033
CCC(C1CC(c2nc(nn12)C(=O)N(C)OC)F)(F)F	SCHEMBL20640881,PC-id_137408191	292.258	CJVQGTNAPBAJPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053034
CCC([C@@H]1C[C@@H](c2nc(nn12)C(=O)N(C)OC)F)(F)F	SCHEMBL20640883,PC-id_137408193	292.258	CJVQGTNAPBAJPH-BQBZGAKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053035
COCC(C(F)(F)F)(NC(=O)N1CCn2c1ncc2)C	EMOLS-id_279112584	292.258	WWNUGKYMMFGNHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053036
FC(F)(F)COC(C(=O)NCc1n2CCCc2nn1)C	PC-id_45819633	292.258	OQZITXPJTAKLPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053037
O=C([C@@H](OCC(F)(F)F)C)NCc1nnc2n1CCC2	CoCoCo_4882945	292.258	OQZITXPJTAKLPH-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053038
O=C([C@H](OCC(F)(F)F)C)NCc1nnc2n1CCC2	CoCoCo_4882946	292.258	OQZITXPJTAKLPH-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053039
[O-][N+](=O)c1ccc(c(c1NCC1Cn2c(O1)ncc2)C)F	PC-id_141088174	292.266	YVJIZCDWIKFJLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053040
C1c2c(c(n[nH]2)C=C2C3N(C2=O)C(=CS3)C(=O)O)ON1	PC-id_87990326	292.271	WJTSMAJNVVDSCU-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-053041
OC(=O)C1=CS[C@H]2N1C(=O)C2=Cc1n[nH]c2c1ONC2	SCHEMBL6425627,PC-id_69776811	292.271	WJTSMAJNVVDSCU-SNVBAGLBSA-N	00001011100000000001001010000000000000000000000000000000	25-01-053042
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330322,MCULE-2288620173	292.277	OAZJEOYHVQRHJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053043
OC(=O)C1CCc2c1nc(s2)NC1(CC1)C(F)(F)F	PC-id_114159698	292.277	FNYJNDANSHZXPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053044
c1(C(=O)O)c2C(C)CCc2n(Cc2c(cccc2F)F)n1	EMOLS-id_330982653,MCULE-3597762189	292.281	UOXODESCISBELX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053045
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2F)F)n1	MCULE-7236895236,EMOLS-id_330984700	292.281	DHHCOKGXNVUJAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053046
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(F)c2F)n1	EMOLS-id_330982397,MCULE-1204091260	292.281	PNWAWVNPODOVAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053047
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(F)c2)F)n1	EMOLS-id_330984444,MCULE-4624081346	292.281	WMAULXQGVPTNRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053048
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)ccc2F)n1	EMOLS-id_330982909,MCULE-6916586192	292.281	XUMZDGUQIPQWIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053049
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)cc(F)c2)n1	MCULE-8424248593,EMOLS-id_330984957	292.281	ZONRKEBJLABQOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053050
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1F)F	EMOLS-id_330967736,MCULE-5682162112	292.281	VZFHRPFOUJSZBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053051
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(F)c1F	EMOLS-id_330965433,MCULE-9587367721	292.281	DTOQXYTVRZVCAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053052
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(F)c1)F	MCULE-3777029605,EMOLS-id_330967480	292.281	INJPTKSBQJREQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053053
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)ccc1F	MCULE-1740023340,EMOLS-id_330965945	292.281	IZIWXAKFCIOWAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053054
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)cc(F)c1	EMOLS-id_330967993,MCULE-2204272957	292.281	SSAOJBAHKPGNQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053055
CC1CCc2nn(Cc3c(F)cccc3F)c(C(=O)O)c12	EMOLS-id_330965689,MCULE-8083540148	292.281	ASEJFOHKQVCEMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053056
CC(c1c(F)cncc1F)NC(=O)c1occ2c1CCC2	EMOLS-id_318565227	292.281	BXGPJBXSWLSSLE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053057
Fc1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1F	PC-id_62660903	292.284	CKSVFGSKPIRUKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053058
Fc1c(C(=O)NC(c2n3CCCc3nn2)C)cccc1F	PC-id_62662599	292.284	GZTHRVABDQJOBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053059
O=C(c1ccccc1C(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_319790341	292.284	ISYWOBFKTJFRJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053060
O=C(c1ccc(nc1)C(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318422697	292.284	MANQMMXHQLCMBC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053061
O=C(c1ccc(nc1)C(F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318459503	292.284	ZXXDHNYNSSBUMY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053062
O=C(c1ccc(nc1)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_320247302,MCULE-8581518711	292.284	VLUXCQYXIOCBTP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053063
O=C(c1ccc(nc1)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318882809	292.284	KOSUDTWIWOUIKO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053064
O=C(c1cccnc1C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319996503,MCULE-4971394333	292.284	SIZQFVMCCRFPPU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053065
O=C(C1NCc2c1c[nH]n2)NCc1ccc(cc1)C(F)F	EMOLS-id_318818218	292.284	DKEPHQKFWFWRKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053066
O=C(C1NCc2c1c[nH]n2)NC(c1ccc(c(c1)F)F)C	EMOLS-id_318892113	292.284	HCPRVYHQCLDJRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053067
O=NC(=O)C1Sc2c(C1=O)cc(s2)S(=O)(=O)N	PC-id_140366057	292.312	BGCAHQYWGOFYAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053090
O=C(C1NCc2c1c[nH]n2)NC(c1ccc(cc1F)F)C	MCULE-7459807774,EMOLS-id_319485736	292.284	PRJUHIKLMWFOBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053068
O=C(C1NCc2c1c[nH]n2)NCCc1cc(F)cc(c1)F	EMOLS-id_318785215	292.284	JZPXYLZQTSAQTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053069
O=C(C1NCc2c1c[nH]n2)N[C@@H](c1ccc(cc1F)F)C	EMOLS-id_319485480	292.284	PRJUHIKLMWFOBH-KMPCPTCDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053070
O=C(NC1CCn2c1ncc2)NCc1cc(F)ccc1F	EMOLS-id_316926054,MCULE-1215671785	292.284	JYNANAMZNDZHGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053071
O=C(NCc1cc(F)ccc1F)N[C@@H]1CCn2ccnc12	ZINC22_1413729890	292.284	JYNANAMZNDZHGF-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053072
O=C(NCc1cc(F)ccc1F)N[C@H]1CCn2ccnc12	ZINC22_1413729896	292.284	JYNANAMZNDZHGF-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053073
C1(=Nc2n(C1=O)ccc2)CS(=O)(=O)c1ccc(cc1)F	CoCoCo_6675999,PC-id_39855485,EMOLS-id_27655928,MCULE-5766268115,ZINC22_32611929	292.286	YEFATWHOYNLPRP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-053074
C=C(C)OC(=O)N(C(=O)OC(=C)C)c1onc2c1CCC2	CHEMBL359509,PC-id_44391580	292.287	SZBXWNKAJJHJFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053075
Fc1ccc(c(c1)NC(=NCc1nnc2n1CCC2)N)F	PC-id_121773061	292.287	PQSZZYPCUMMKRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053076
o1nc2CCCc2c1N(C(=O)OCC=C)C(=O)OCC=C	PC-id_58664480	292.287	RJGHFSGSRVPDHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053077
OC(=O)C1CN(C)C(=O)CN1C(=O)c1occ2c1CCC2	EMOLS-id_319837039	292.287	JHJDWBHHOANVEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053078
FC(COCCNc1nc2c(s1)CCC2C(=O)O)F	PC-id_105922943	292.302	YKFSCWHWMVLFOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053079
COc1cc(NC2CC(n3c2ncn3)C)c(cc1OC)F	EMOLS-id_279085464	292.309	QJRCAQIULRVRKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053080
c1(sc2c(CCC2)n1)NC(=O)c1occ(c(=O)c1)OC	EMOLS-id_43036203,STOCK7S-26775,MCULE-3994046216,ZINC22_72402898,EMOLS-id_46567391,PC-id_60181118	292.31	AZLIHJDCZJFIEB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053081
Cn1nc2c(c1OC(=O)c1ccccc1)CS(=O)(=O)C2	PC-id_142056590	292.31	NSOGFEJMCNMOES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053082
COc1cc[nH]c1CC1C(=O)Nc2c1cc(s2)C(=O)O	SCHEMBL6626632,PC-id_17932469	292.31	UDNZQQGTGRFIFY-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-053083
COC(=O)c1coc(C(=O)Nc2nc3c(s2)CCC3)c1	EMOLS-id_49937662,PC-id_86790938,ZINC22_195562709,MCULE-3626826688	292.31	DLAPCCWFCMFALZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053084
s1c2c(CCC2)c(c1NC(=O)c1c(onc1)C)C(=O)O	PC-id_43328023	292.31	FUZARKPGQSSJHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053085
s1c2c(CCC2)c(c1NC(=O)c1ocnc1C)C(=O)O	PC-id_81621372	292.31	PGBFDFSWXYBKLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053086
s1c2c(CCC2)c(c1NC(=O)c1onc(c1)C)C(=O)O	PC-id_60756180	292.31	NBCBUYDKGNLJMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053087
s1c2c(CCC2)c(c1NC(=O)c1oncc1C)C(=O)O	PC-id_66334331	292.31	UVFLAFLKKPXZGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053088
s1c2c(CCC2)c(c1NC(=O)c1oncc1)C(=O)OC	PC-id_41149528	292.31	FJVCFAMKBSBZSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053089
c1(NC(=O)c2ccc(N(=O)=O)s2)n(C)nc2CCCc12	ZINC22_23135649,EMOLS-id_30131755,PC-id_30859090,MCULE-4784289400,CoCoCo_5272995	292.314	APZFZWFNYIEGTG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053091
CCn1nc(ccc1=O)C(=O)Nc1onc2c1CSC2	PC-id_121066995	292.314	NWUBHXKUMRYDND-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053092
CCOc1nnc(cc1)C(=O)Nc1c2CSCc2no1	PC-id_90509720	292.314	KGFKIAOWSZOWPJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053093
NC(=O)c1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_68988105,SCHEMBL4287742	292.314	IRWWMVUKQVYMOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053094
O=C(Cn1cnc(cc1=O)C)Nc1onc2c1CSC2	PC-id_121064096	292.314	QGYGFPMUMBJIMI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053095
s1c2c(CCC2)c(c1NC(=O)c1[nH]ncn1)C(=O)OC	PC-id_80374133	292.314	JCBFNDKRUNJJER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053096
s1c2c(CCC2)c(c1NC(=O)c1n[nH]nc1)C(=O)OC	PC-id_80497771	292.314	KKCVKWIABDOHLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053097
s1c(NC(=O)c2n3CCCc3nn2)c(cc1)C(=O)OC	PC-id_44006895	292.314	WBJOSPRVJQRTMI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053098
S1(=O)(=O)CCn2c1nc(c2C(=O)Nc1ncccc1)C	PC-id_50878415	292.314	ATAVNYMORCRVJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053099
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1nccs1	SCHEMBL12307474,PC-id_58440952	292.317	BXTBTEXSNXUIQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053100
N#Cc1c(C)n[nH]c1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97704182	292.317	RBWIPXUSQJLREX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053101
s1c2c(CCC2)cc1CNCC(=O)NCC(F)(F)F	PC-id_61492138	292.321	RRSJZOQLWYDYJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053102
s1c2CCCc2cc1CNC(=O)CNCC(F)(F)F	PC-id_78957998	292.321	AYKUZAIKHCFUOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053103
s1c2c(CCC2)cc1CNC(=O)C(N)(C(F)(F)F)C	PC-id_79805618	292.321	YGEKQLRDANQLBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053104
CC1CCc2c1c(CO)nn2Cc1c(C)cc(F)cc1F	MCULE-4212851952,EMOLS-id_331009021	292.324	PHEHHEZZRAZNND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053105
CC1CCc2c1c(CO)nn2Cc1ccc(F)c(F)c1C	EMOLS-id_331008765,MCULE-8534016709	292.324	WLFOYMSSDKQTEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053106
CC1CCc2c1c(CO)nn2Cc1cc(F)cc(F)c1C	MCULE-5099403706,EMOLS-id_331008509	292.324	RMUGMHPYJQQAAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053107
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(CO)c12	EMOLS-id_330991800,MCULE-8368288394	292.324	DWMHJSRKXYEHOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053108
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(CO)c12	EMOLS-id_330991544,MCULE-4573686159	292.324	UPHSMUQPTFRFEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053109
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(CO)c12	EMOLS-id_330991288,MCULE-2365491011	292.324	CEHCXWFJLRKLDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053110
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1O	MCULE-6161507927,EMOLS-id_331006372	292.324	NEGXXCVFWQNYJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053111
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1CO	MCULE-4488269783,EMOLS-id_330993085	292.324	RTDLYYLMVIGWCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053112
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1CO	MCULE-8780505195,EMOLS-id_330992315	292.324	DIQXKYLPDLORNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053113
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1CO	MCULE-5462369977,EMOLS-id_330992571	292.324	FEFIFINQFNWEKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053114
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1CO	MCULE-4065779318,EMOLS-id_330992829	292.324	OMJLJRAEHALGCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053115
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1CO	MCULE-9418609211,EMOLS-id_330992573	292.324	OSQWOOVTYIXFHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053116
c12CN(Cc1nn(CC(F)F)c2CN)Cc1ccccc1	EMOLS-id_324351584,MCULE-1404707297	292.327	JOIONRDKABXFKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053117
CC1CC(c2n1ncn2)NCc1ccc(cc1)C(F)(F)C	MCULE-9581121658,EMOLS-id_318521922	292.327	PORRHQXTVHATPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053118
Cc1cc(F)c(c(c1)F)CNC(c1nnc2n1CCC2)C	EMOLS-id_318142062,MCULE-4382394538	292.327	XMJWYXGXKBYDPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053119
CC(c1ccc(nc1)C(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318305050,MCULE-5434523587	292.327	CWCNEYQDBHMLGI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053120
CC(c1nn2c(c1)CCC2)NC(c1c(F)cncc1F)C	EMOLS-id_318028181,MCULE-3605212671	292.327	DXQIPODEOUZDJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053121
CC(c1nnc2n1CCC2)NCc1ccc(cc1)C(F)F	PC-id_115523773	292.327	YHTHLALXIGXLKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053122
CC(c1nnc2n1CCC2)NCc1cccc(c1)C(F)F	PC-id_115526294	292.327	WOWHNIHOUZPXNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053123
Fc1ccc(c(c1)F)C(CNC1CC(n2c1ncn2)C)C	EMOLS-id_318474662,MCULE-6876035638	292.327	VVDPTWFMXNIQPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053124
Fc1cccc(c1F)C(NC(c1nnc2n1CCC2)C)C	PC-id_104663713	292.327	COJXHTARYJFQGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053125
Fc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1F	PC-id_43748100	292.327	HSFBTTBIXDDGHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053126
Fc1cc(C(NC(c2n3CCCc3nn2)C)C)cc(F)c1	PC-id_80204805	292.327	CBKPZYCUEUCOAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053127
Fc1c(C(NC(c2n3CCCc3nn2)C)C)ccc(F)c1	PC-id_43748101	292.327	XDZNYGZICUEFRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053128
Fc1c(C(NC(c2n3CCCc3nn2)C)C)cc(F)cc1	PC-id_43748133	292.327	SFNRLNYWEHGJJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053129
Fc1c(C(NC(c2n3CCCc3nn2)C)C)c(F)ccc1	PC-id_43748094	292.327	BTYRJOPNIZGTND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053130
Cc1cc(Nc2sc3c(n2)C(CC3)C(=O)O)cc(c1)F	PC-id_104289030	292.329	LBVLBVITLASOBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053131
COc1cccc(c1C(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318487741	292.329	XANXRVOPWKTKEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053132
COc1ccc(cc1C(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318667298	292.329	XNKZOIHTEYSMSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053133
COc1ccc(c(c1)F)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_317979768	292.329	YECAJLGKKDAIHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053134
COc1ccc(cc1F)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318409754,PC-id_33040082	292.329	FAASUYHIYFLUBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053135
COc1cc(ccc1F)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318599430	292.329	AYPDRWPFGNPCPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053136
Fc1ccc(c(c1)[N+](=O)[O-])NCc1sc2c(c1)CCC2	PC-id_115595646	292.329	ZDZLTWCESUJDLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053137
O=C(COc1ccccc1F)Nc1nc2c(s1)CCC2	PC-id_24248747,CoCoCo_4164113,EMOLS-id_17215618,ZINC22_15636521,MCULE-8583282690	292.329	ITWSDABKSCQKGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053138
O=C(COc1cccc(F)c1)Nc1nc2c(s1)CCC2	CoCoCo_4164109,MCULE-8800025155,PC-id_24243348,EMOLS-id_17197621,ZINC22_15636520	292.329	MVALSOKHLOWKJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053139
O=C(COc1ccc(F)cc1)Nc1nc2c(s1)CCC2	MCULE-3701004888,EMOLS-id_24061994,CoCoCo_4164254,PC-id_25594067,ZINC22_12907756	292.329	POEFVTJUOIGEAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053140
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1C)F	PC-id_104287639	292.329	FVKVAMFIMLRNHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053141
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1C)F	PC-id_104288111	292.329	UDQGVCXCKKEKQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053142
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)C)F	PC-id_104288602	292.329	SWADBZKCQYYVAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053143
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)F)C	PC-id_104287628	292.329	RISNCAQTBPFGOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053144
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1F)C	PC-id_104287672	292.329	JJUUJFXCFQXAIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053145
OC(=O)C1CCc2c1nc(s2)N(c1ccc(cc1)F)C	PC-id_104288204	292.329	YGKUQHQMARXLOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053146
OC(=O)C1CCc2c1nc(s2)N(c1ccccc1F)C	PC-id_104288280	292.329	BHYDYIGUAIXAFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053147
OC(=O)C1CCc2c1nc(s2)N(c1cccc(c1)F)C	PC-id_104288329	292.329	FRQIDVGXPVFXEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053148
OC(=O)C1CCc2c1nc(s2)Nc1cc(C)ccc1F	PC-id_104287695	292.329	FGNIISJDPACOIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053149
OC(=O)C1CCc2c1nc(s2)Nc1c(C)cccc1F	PC-id_116470059	292.329	JKAHXRXOYMYXPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053150
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)ccc1C	PC-id_104287622	292.329	GDEXQDNFGAARIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053151
OC(=O)C1CCc2c1nc(s2)NCc1ccc(cc1)F	PC-id_104287602	292.329	ODHJAFTZRQTPAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053152
OC(=O)C1CCc2c1nc(s2)NCc1ccccc1F	PC-id_104287614	292.329	LXMCJGUHZYZDHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053153
OC(=O)C1CCc2c1nc(s2)NCc1cccc(c1)F	PC-id_104287692	292.329	FIOBVPOXNPDYRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053154
s1c2CCCc2cc1CNc1cc([N+](=O)[O-])cc(F)c1	PC-id_61208379	292.329	JXNPAQFLLOQLES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053155
s1c2CCCc2cc1CNc1c(F)cc([N+](=O)[O-])cc1	PC-id_61208581	292.329	UVUWWFUZKDDCJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053156
s1c2CCCc2cc1CNc1c([N+](=O)[O-])ccc(F)c1	PC-id_62378331	292.329	QKRNHAXUKOYYNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053157
s1c2CCCc2cc1CNc1c([N+](=O)[O-])c(F)ccc1	PC-id_61208202	292.329	NHQSSOPCEBIUBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053158
S(CC(=O)Nc1onc2CCCc12)c1ccc(F)cc1	PC-id_16942366	292.329	WLXMIKJIDKRJMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053159
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)C)C(=O)OC	SCHEMBL20253013,PC-id_134599106	292.33	JTJMWFPKSVHPTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053160
C#CCNC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_1177720286	292.332	NOQAXJWNSMBQGP-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053161
C#CCNC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_1177720287	292.332	NOQAXJWNSMBQGP-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053162
CNc1ncc(cc1C(=O)Nc1sc2c(n1)CCC2)F	PC-id_108070435	292.332	NCYDTSPOYRZGMW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053163
CNc1nccc(c1F)C(=O)Nc1sc2c(n1)CCC2	PC-id_105385740	292.332	NCTLWSKRJVLJIE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053164
n12CCC(C(=O)NCC#C)c1ccc2C(=O)c1ccccc1	MCULE-4249743441,PC-id_145875470,EMOLS-id_320337588	292.332	NOQAXJWNSMBQGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053165
N#Cc1cccc(c1)C1(CC1)NC(=O)c1occ2c1CCC2	EMOLS-id_318662263	292.332	SPXTVPUTIZTISJ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-053166
s1c2CCCc2nc1Nc1cc(c(N)cc1F)C(=O)N	PC-id_61991542	292.332	BXKAREQECGOEFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053167
s1c2CCCc2nc1NC(=O)c1c(NN)c(F)ccc1	PC-id_62661678	292.332	SSYWQCXNCHTXDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053168
s1c2CN(Cc2nc1N)CC(=O)Nc1ccc(F)cc1	PC-id_82194275	292.332	OWWGRKUZLPSURQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053169
s1c2CN(Cc2nc1N)CC(=O)Nc1c(F)cccc1	PC-id_82194333	292.332	OUKLKTLYNMNZKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053170
S1CCn2c1nnc2NC(=O)CCc1c(F)cccc1	PC-id_73293051	292.332	KJHZFVNEKYERNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053171
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)C(=O)OCC	MCULE-6619763280,EMOLS-id_321296342	292.334	MIQQKJKRGOPBDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053172
c1(C(=O)N2CCN(CC2)C(=O)OCC)c2CCCc2[nH]n1	MCULE-5028724065,EMOLS-id_179744639,PC-id_110388853	292.334	FQCMMYXBTKCUQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053173
c1(C(=O)N(C)CC(=O)NC2CC2)cc2n(C[C@@H](OC)C2)n1	MCULE-1357010147,EMOLS-id_316337500	292.334	WFAPIPQVDYXWJK-NSHDSACASA-N	00100010100000000001000010000000000000000000000000000000	25-01-053174
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)C2CC2)n1	MCULE-8624763166,EMOLS-id_316330297	292.334	WRKNLCQQLYFAAG-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-053175
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)C1CC1	EMOLS-id_316325173,MCULE-4339467514	292.334	PMLPRSZSOIBJQS-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-053176
CC1(C)CC(=O)O[C@@H]1CNC(=O)N[C@@H]1Cc2nccn2C1	ZINC22_2325799562	292.334	IDIJKSNVSWMYEI-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053177
CC1(C)CC(=O)O[C@H]1CNC(=O)N[C@H]1Cc2nccn2C1	ZINC22_2325799563	292.334	IDIJKSNVSWMYEI-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053178
CC1(C)CC(=O)O[C@@H]1CNC(=O)N[C@H]1Cc2nccn2C1	ZINC22_2325799564	292.334	IDIJKSNVSWMYEI-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053179
CC1(C)CC(=O)O[C@H]1CNC(=O)N[C@@H]1Cc2nccn2C1	ZINC22_2325799565	292.334	IDIJKSNVSWMYEI-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053180
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1Cc2c[nH]nc2C1	EMOLS-id_172344060,ZINC22_408522625,MCULE-8239363966,PC-id_122153695	292.334	KRKXCUGZLWXPSL-LLVKDONJSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053181
CC(C)NC(=O)N1Cc2nc(C(=O)N3CCCC3)oc2C1	PC-id_97413459,ZINC22_96094504,EMOLS-id_46194454	292.334	WUCFXQISFZGITL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053182
CCC(=O)N1Cc2c(C1)n(C)nc2C(=O)N1CCOCC1	MCULE-4195369822,EMOLS-id_207863052	292.334	SOIGEBSJKIRLEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053183
CCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C1CC1	EMOLS-id_319026621	292.334	PESSNGUBDUQMKX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053184
CCOC(=O)n1nc2c(c1NC(=O)C1CC1)CNC2(C)C	SCHEMBL12879096,PC-id_58015631	292.334	KDTWJTKVDNQFAW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053185
CC(=O)N1CCOC(C1)C(=O)Nc1c2CCCc2nn1C	PC-id_136562778,EMOLS-id_316964762,MCULE-6872625557	292.334	KLRCZGZJQIIBMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053186
CC(=O)N1CCO[C@@H](C(=O)Nc2c3c(nn2C)CCC3)C1	ZINC22_930591677	292.334	KLRCZGZJQIIBMT-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053187
CC(=O)N1CCO[C@H](C(=O)Nc2c3c(nn2C)CCC3)C1	ZINC22_930591678	292.334	KLRCZGZJQIIBMT-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053188
CC(=O)NCC1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111031003	292.334	XNIGENGFHHPTAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053189
COC1Cn2c(C1)cc(n2)C(=O)N(CC(=O)NC1CC1)C	MCULE-7227502761	292.334	WFAPIPQVDYXWJK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053190
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)C1CC1	MCULE-9330178719	292.334	PMLPRSZSOIBJQS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053191
COCCNC(=O)c1nn2c(c1)CC(C2)NC(=O)C1CC1	MCULE-6121738292	292.334	WRKNLCQQLYFAAG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053192
COCC(=O)N1Cc2c(CN3CCCC3=O)nn(C)c2C1	EMOLS-id_46181947,PC-id_97405296,ZINC22_96084470	292.334	ITVGOGFWBNGSFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053193
COCC(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110378230	292.334	OFNUVPZWDNPEFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053194
COC(=O)c1c(NC(=O)N2CC(C2C)C)nc2n1CCC2	EMOLS-id_319410288	292.334	FZWBGUWDOHUBGC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053195
COC(=O)c1c(NC(=O)N2CCC(C2)C)nc2n1CCC2	EMOLS-id_319558875	292.334	WZCMHWTXTVYNDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053196
COC(=O)c1c(NC(=O)N(C2CCC2)C)nc2n1CCC2	EMOLS-id_318966143	292.334	FVZBRGDPVNXEGD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053197
COC(=O)c1c(NC(=O)NC2CC(C2)C)nc2n1CCC2	EMOLS-id_319714804	292.334	VPAKYHRTYZYPFV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053198
COC(=O)c1c(NC(=O)NC2(CC)CC2)nc2n1CCC2	EMOLS-id_319160563	292.334	LSBCXNSQOJFJBY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053199
COC(=O)c1c(NC(=O)NC2CCCC2)nc2n1CCC2	EMOLS-id_319648917	292.334	GUWIRTBBXIDHNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053200
COC(=O)c1c(NC(=O)NC2(C)CCC2)nc2n1CCC2	EMOLS-id_319650293	292.334	XLSYYEYNHCXOKT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053201
COC(=O)c1c(NC(=O)NCC2CCC2)nc2n1CCC2	EMOLS-id_319766604	292.334	ULFNEHHNHCWQIW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053202
COC(=O)c1c(NC(=O)N(CC(=C)C)C)nc2n1CCC2	EMOLS-id_319311113	292.334	PKPRLWVIERGJIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053203
COC(=O)c1c(NC(=O)N[C@H](C2CC2)C)nc2n1CCC2	EMOLS-id_319609105	292.334	YZBWNDJFIQIXMC-QMMMGPOBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053204
COC(=O)c1c(NC(=O)N[C@@H](C2CC2)C)nc2n1CCC2	EMOLS-id_319754628	292.334	YZBWNDJFIQIXMC-MRVPVSSYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053205
O=C(C1CCC(C1)C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_103550266	292.334	CQSKZTHEZPEOAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053206
O=C(C1CCCC1C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_103978283	292.334	INWWDVHCIOYPJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053207
O=C(c1nn2c(c1)OCC2)N1CC(C1)(C)N1CCOCC1	EMOLS-id_319206451	292.334	RSLPSHPYPFNZNU-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-053208
O=C(c1nn2c(c1)OCC2)N1CC(C1)NC1CCOCC1	EMOLS-id_319374948	292.334	XPDCVECYGWQMPP-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-053209
O=C(c1oc2c(n1)CN(C2)C(=O)C)NCCN1CCCC1	PC-id_97525782	292.334	RHMNXOMLNATCHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053210
O=C([C@@H]1CCC[C@@H]1C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_105635155	292.334	INWWDVHCIOYPJC-XVBQNVSMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053211
O=C([C@@H]1CC[C@@H](C1)C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_105635156	292.334	CQSKZTHEZPEOAJ-XVBQNVSMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053212
O=C([C@H]1[C@H](C1(C)C)C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_105635157	292.334	BQIHQQGPPVSLBX-MKSVKPQVSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053213
O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C(O)C	EMOLS-id_110570278	292.334	DMSOCRSPGUUOKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053214
O=C(N1CCOCC1)CN(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_110551311	292.334	POXODIWCTVVEST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053215
O=C(N(Cc1n2CCCc2nn1)C)C1C(C1C(=O)O)(C)C	PC-id_64836368	292.334	SDJWNZXOVYWORF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053216
OC(=O)C1C(C1C(=O)NC(c1n2CCCc2nn1)C)(C)C	PC-id_64834836	292.334	BQIHQQGPPVSLBX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053217
OC(=O)C1CCC(C1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_103550401	292.334	XVHWXVNRHCJTTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053218
OC(=O)C1CCCC1C(=O)N(Cc1nnc2n1CCC2)C	PC-id_103978419	292.334	GZSXYGPHBVUBRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053219
O=C(O)[C@H]1c2c[nH]nc2CN1C(=O)N1CCCCCCC1	ZINC22_1875273618	292.334	ULAWALRGONXXMP-GFCCVEGCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053220
CCCCCCCC(c1sc2c(c1)CCC2)NCCC	PC-id_115832113	293.51	WLFFUVCGKNMUJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054389
O=C(O)[C@@H]1c2c[nH]nc2CN1C(=O)N1CCCCCCC1	ZINC22_1875273619	292.334	ULAWALRGONXXMP-LBPRGKRZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053221
OC(=O)[C@H]1CCC[C@H]1C(=O)N(Cc1nnc2n1CCC2)C	PC-id_105635980	292.334	GZSXYGPHBVUBRK-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053222
OC(=O)[C@H]1CC[C@H](C1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_105635981	292.334	XVHWXVNRHCJTTA-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053223
OC(=O)[C@@H]1[C@@H](C1(C)C)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_105635982	292.334	SDJWNZXOVYWORF-MNOVXSKESA-N	00100010100000000001000010000000000000000000000000000000	25-01-053224
OC(=O)N1CCC(CC1)CNC(=O)c1n[nH]c2c1CCC2	PC-id_140456194	292.334	OGEDWQYPKNRDTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053225
c1(C(=O)Nc2cccc(c2)n2cccc2)c2CCCc2[nH]n1	MCULE-7331232009,EMOLS-id_323256508	292.335	UJBOAXKBPISUML-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-053226
c1(C(=O)Nc2ccc(cc2)n2cccc2)c2CCCc2[nH]n1	MCULE-8503392974,EMOLS-id_323260089	292.335	TZYXHJARJGWEMY-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-053227
Cn1ncc2c1CN(C(=O)c1ccc(C3(C#N)CC3)cc1)C2	PC-id_145907478,ZINC22_598936752,EMOLS-id_320374380,MCULE-7957827262	292.335	RSKCIZXRIIQMOC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-053228
N#CC1(c2ccc(C(=O)N[C@H]3Cc4cncn4C3)cc2)CC1	ZINC22_598946430	292.335	FSZHMAGZLWNCJC-AWEZNQCLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-053229
N#CC1(c2ccc(C(=O)N[C@@H]3Cc4cncn4C3)cc2)CC1	ZINC22_598946438	292.335	FSZHMAGZLWNCJC-CQSZACIVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-053230
N#CC1(CC1)c1ccc(cc1)C(=O)NC1Cn2c(C1)cnc2	EMOLS-id_320375148,MCULE-8727292982,PC-id_145907479	292.335	FSZHMAGZLWNCJC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-053231
CN(C(=O)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319534632	292.337	DOQWHEGGARMPQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053232
O=C(NC1CC(n2c1ncn2)C)CNC(=O)N1CCCC1	MCULE-4138579841,EMOLS-id_320008456	292.337	AOWRFVCBYGZBIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053233
c1ccc(cc1)c1ccc(nn1)NCc1nnc2n1CCC2	CoCoCo_1383148,PC-id_39791104	292.338	SJMYSSPBDOISSW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-053234
s1c2C[NH+](Cc2cc1C(=O)OC)Cc1ccc(F)cc1	PC-id_3427811	292.349	GBZYSXBGNSCEEN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-053235
c1cc(C(=O)Nc2sc3CCCc3c2C#N)sc1F	EMOLS-id_54825771,ZINC22_252483932,PC-id_119056279,MCULE-1405797412	292.352	FLCGOLQMJQSNEH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053236
CCCc1nc(COC(=O)c2cc3c(s2)CCC3)no1	PC-id_75417403,MCULE-5697554934,EMOLS-id_48780308,ZINC22_63881050	292.353	XTBXHQAGBDKNFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053237
CC(C(C)C(=O)Nc1sc2CCCc2c1C#N)C(=O)O	EMOLS-id_328255079,MCULE-9699303099,PC-id_103496423	292.353	RANCOAWUSBCNNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053238
C(C)(C(=O)OCC)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328236958,MCULE-2518549840	292.353	OQPPFQUSIKVKNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053239
CC(Nc1nc2c(s1)CCC2C(=O)O)Cc1ccco1	PC-id_104288140	292.353	RMPGFFYYBUDYLP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053240
CCN(c1nc2c(s1)CCC2C(=O)O)Cc1ccco1	PC-id_104288429	292.353	DSQZQPYTRCRGER-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053241
CCOC(=O)C1CCc2c1nc(s2)NCc1ccco1	PC-id_104287445	292.353	VZBYXDXMAVPINU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053242
CCOC(=O)C1CCc2c1nc(s2)NCc1cocc1	PC-id_116379270	292.353	BGJIGGWOBMJIBK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053243
CCOC(=O)c1coc(n1)NCc1sc2c(c1)CCC2	PC-id_104114892	292.353	ZRAGKJDTCCAZNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053244
CCOC(=O)CCC(=O)Nc1sc2CCCc2c1C#N	PC-id_60660664,EMOLS-id_328106534,MCULE-8584717732	292.353	KCOUVNUAVJCLDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053245
COc1cnc(c(n1)OC)C(c1sc2c(c1)CCC2)O	PC-id_115830584	292.353	ATTRQCXKYBORHT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053246
COCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	PC-id_56675547,CHEMBL1821911	292.353	SZIRBMUDVGMJBO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053247
COC(=O)CCCC(=O)Nc1c(C#N)c2c(CCC2)s1	MCULE-6784318767,EMOLS-id_327876801	292.353	XBPLMZFLGUADME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053248
C(=O)(Nc1sc2CCCc2c1C#N)CCCCC(=O)O	MCULE-3823764899,PC-id_43579765,EMOLS-id_328065246	292.353	VKNQNJATHJAPED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053249
OCc1ccc(cc1)S(=O)(=O)Cc1nn2c(c1)CCC2	EMOLS-id_318147854	292.353	HBEHMIMSQNGPMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053250
O=C([C@@H]1CC=CC[C@@H]1C(=O)O)Nc1sc2c(n1)CCC2	PC-id_104962308	292.353	JDUWARCQFLCNAE-BDAKNGLRSA-N	00000010100011000001000010000000000000000000000000000000	25-01-053251
OC(=O)C1CCc2c1nc(s2)N(Cc1ccc(o1)C)C	PC-id_104287888	292.353	DLTBRWGPEHVUHI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053252
OC(=O)C1CCc2c1nc(s2)NC(c1ccc(o1)C)C	PC-id_104288219	292.353	ANLSHCZPGVFEDX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053253
OC(=O)C1CCc2c1nc(s2)N(Cc1ccoc1C)C	PC-id_104288477	292.353	WWRJNFYTSCTVQR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053254
s1c2c(CCC2)cc1C(=O)N1C(CC)C(=O)NC(=O)C1	PC-id_66069115	292.353	PVVOUNHTXSDVFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053255
s1c2c(CCC2)cc1C(=O)N1C(C(=O)NC(=O)C1)(C)C	PC-id_66074607	292.353	NALLYODJHUUQRX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053256
s1c2CCCc2cc1C(=O)OCC(=O)N(CCC#N)C	PC-id_7238787	292.353	KZMUTRLIKHFKBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053257
s1c2c(CCC2)c(c1NC(=O)c1sccc1)C(=O)[O-]	PC-id_3375238	292.353	ZFDKMZPINGTQSH-UHFFFAOYSA-M	00000010100100000000000010000000000000000000000000000000	25-01-053258
s1c2c(CCC2)c(c1NC(=O)CC(C)(C)C(=O)O)C#N	PC-id_64246018	292.353	JXHMUZQBYPNWPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053259
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)O)C)C#N	PC-id_62966255	292.353	WIBLSJOGLUKSDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053260
s1c2c(CCC2)c(c1NC(=O)CNCC#C)C(=O)OC	PC-id_78908623	292.353	MXRYWTKPZYKVTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053261
s1c2c(CCC2)c(c1NC(=O)C(N)CC#C)C(=O)OC	PC-id_81776259	292.353	UHAROXRJCRYJSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053262
s1c2CCCc2c(c1NC(=O)COC(=O)C(C)C)C#N	PC-id_7782379	292.353	MDFRHMLLXCVGGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053263
s1c2CCCc2c(c1NC(=O)COC(=O)CCC)C#N	PC-id_7796669	292.353	CIVOGSYZBAHKBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053264
s1c2CCCc2nc1NC(=O)C1C(CC=CC1)C(=O)O	PC-id_61509044	292.353	JDUWARCQFLCNAE-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-053265
S1C(n2c(C1)c(O)n(c2=O)Cc1ccc(OC)cc1)C	PC-id_54486747	292.353	XSVRYIDJJWQFEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053266
C1Cc2nn(c[n+]2C1Cc1ccccc1)Oc1ccccc1	PC-id_90431909	292.355	SUNIJZJHQBAUTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053267
c1ccc(cc1)C[C@H]1CCc2n1c[n+](n2)Oc1ccccc1	SCHEMBL16065997	292.355	SUNIJZJHQBAUTB-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053268
c1(NC(=O)C#Cc2ccccc2)sc2c(CCC2)c1C#N	ZINC22_6699268,EMOLS-id_2544438,TIMTEC330559,CoCoCo_1043430,PC-id_6465075,MCULE-8359047170	292.355	NGHUEQODRIJUAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053269
C=CC(C/C=C(/C1Cc2c(C1)c(n[nH]2)/C(=N/N)/NN)C)F	PC-id_143311082	292.355	SADNWWCEMSSFQU-XBXARRHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053270
s1c2NC(=O)C(=Cc3[nH]ccc3c3ccccc3)c2cc1	PC-id_85059115	292.355	CNQJOSMUMYCFLZ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-053271
c12SCCn1cc(CNC(=O)c1cc(on1)C(C)C)n2	MCULE-1618116671,ZINC22_65429122,PC-id_50970293,EMOLS-id_32410090	292.357	HENVZDRBIWEQBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053272
c1(C(=O)NCc2cn3c(SCC3)n2)oc(nc1C)CC	EMOLS-id_49881530,PC-id_77087205,MCULE-8163590295,CHEMBL4536607,ZINC22_215649284	292.357	IEVKPNZESXASEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053273
c1(C(=O)N(CCO)Cc2sccn2)c2CCCc2n[nH]1	ZINC22_426582941,EMOLS-id_82730287,MCULE-6754686631,PC-id_119069932	292.357	ZREBYJNMTWNTAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053274
c1(NC(=O)Cc2c(C)noc2C)n(C)nc2CSCc12	MCULE-1938683218,EMOLS-id_316148130,ZINC22_1506396160	292.357	IEURPRWPHMUEEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053275
Cc1ccc(c(n1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705262	292.357	HKXLNWVTPWWCNK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053276
Cc1cccc(n1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101127930	292.357	FKYQGTFPFIDVSY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053277
Cc1cccnc1N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100380637	292.357	JPYPHDQWAZKTQG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053278
Cc1ccc(nc1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_99316753	292.357	IQLRUOKELURWOG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053279
Cc1cc(C)nc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700030	292.357	FGEVHTRCISZVLR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053280
Cc1nccc(c1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100208608	292.357	HLLWGLFVNOOXIW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053281
Cc1nccc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318871136	292.357	OSBYEJOGBUSNTD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053282
Cc1nccc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319779682	292.357	AHAZBMGECITPAW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053283
Cc1nonc1CC(=O)NCCc1nc2CCCc2s1	MCULE-9107127009,PC-id_118795218,ZINC22_299795951,EMOLS-id_68940291	292.357	MUHHKIOIUXPDHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053284
CCC1CCC(O1)C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_111233271	292.357	ONGHOUGHASDWRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053285
CCc1nn(cc1Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_107465105	292.357	OUCXFSDEPGSRPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053286
CCC(c1ncc[nH]1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_116341183	292.357	OJXMPSMPECNNCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053287
CC(Nc1nc2c(s1)CCC2C(=O)O)Cn1cccn1	PC-id_104288525	292.357	ZJNLFBVPVKZNFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053288
CC(Nc1nc2c(s1)CCC2C(=O)O)Cn1cncc1	PC-id_104288416	292.357	CJXNUXUYFSGMRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053289
CCOC(=O)C1CCc2c1nc(s2)Nc1ccn(n1)C	PC-id_104288022	292.357	LPZQAQKORMEUDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053290
CCOC(=O)C1CCc2c1nc(s2)Nc1ccnn1C	PC-id_104288270	292.357	FICWJQZCQIHLQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053291
CCOC(=O)C1CCc2c1nc(s2)Nc1cnn(c1)C	PC-id_104287898	292.357	UNBSVEUYZJEITA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053292
CCOC(=O)C1CCc2c1nc(s2)NCc1cnc[nH]1	PC-id_104289003	292.357	SOGRDLAOBSRIBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053293
CCOC(=O)C1CCc2c1nc(s2)NCc1c[nH]nc1	PC-id_104288490	292.357	DCRYHMVLNYPXMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053294
CCOC(=O)C1CCc2c1nc(s2)NCc1ncc[nH]1	PC-id_104288958	292.357	MVTLFTJMZRIUME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053295
CN(c1cccc(c1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_319801107	292.357	CZAIBUPHAFGVRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053296
CN(c1noc(n1)CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_99146962	292.357	ZNIRWWRSARILJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053297
COCc1ncc(s1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319850292	292.357	KTCFBTFVKSCRIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053298
COCc1ncc(s1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-1876716247,EMOLS-id_320090376	292.357	WPUHPLOJUNPDRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053299
COCc1scc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320331143,MCULE-6084314933	292.357	IQPIVHJPXBPVIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053300
COCc1scc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319570935	292.357	JUFMDTRFXSXIKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053301
C(=O)(Nc1sc2CCCc2c1C#N)C(N)CCC(=O)N	EMOLS-id_328024544,MCULE-3984027907	292.357	PBFBZHYPIRLGGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053302
CS(=O)(=O)c1ccc(NCc2cnc3n2CCC3)nc1	PC-id_146137870,ZINC22_719816080	292.357	QQMDEIZTMSPTMO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053303
N#Cc1c(NC(=O)C2CCCOC2C)nc2n1CCS2	EMOLS-id_100509266	292.357	SXMAEOQEBPXVST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053304
N#Cc1c(NC(=O)C2OC(CC2C)C)nc2n1CCS2	EMOLS-id_111921321	292.357	JRBRYZPKUDQTMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053305
N#Cc1c(NC(=O)CC2CCCCO2)nc2n1CCS2	EMOLS-id_111948196	292.357	ZHJOWNFWXDIXNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053306
N#Cc1c(NC(=O)CC2CCOCC2)nc2n1CCS2	EMOLS-id_99351244	292.357	NCGYBQVIDMHRFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053307
N#Cc1c(NC(=O)CCC2CCCO2)nc2n1CCS2	EMOLS-id_98900455	292.357	XUEWVRUPBCTWGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053308
N#Cc1c(NC(=O)CCC2COCC2)nc2n1CCS2	EMOLS-id_100918830	292.357	WGYMWGSNVBAUPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053309
Oc1cc(n(n1)C)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318857211	292.357	CUJSESYCPQSKEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053310
OCC(NC(=O)c1cnc2n1CCC2)Cc1cncs1	EMOLS-id_258165979,MCULE-8831363284	292.357	WBSJTMYVXINZLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053311
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cc1nnc(o1)C	EMOLS-id_102180246	292.357	OVDBPMZICFUGBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053312
OC(=O)C1CCc2c1nc(s2)Nc1cnn(c1)C(C)C	PC-id_104288621	292.357	BXMVPDHATONEGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053313
OC(=O)C1CCc2c1nc(s2)N(Cc1cnn(c1)C)C	PC-id_104288407	292.357	UBMBPNDTIBDOIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053314
OC(=O)C1CCc2c1nc(s2)NCc1cn(nc1C)C	PC-id_104289253	292.357	QPTHUUAFVLNUBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053315
OC(=O)C1CCc2c1nc(s2)NCc1cnn(c1C)C	PC-id_106044571	292.357	RNNLCQXDMNIPSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053316
OC(=O)C1CCc2c1nc(s2)N(Cc1nccn1C)C	PC-id_104288683	292.357	FQCHEGMXTRLKIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053317
OC(=O)C1CCc2c1nc(s2)NCCc1ccnn1C	PC-id_103012253	292.357	KMICHKSTPVBIAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053318
OC(=O)C1CCc2c1nc(s2)NCCc1ccn(n1)C	PC-id_106106710	292.357	RMGSQEBAUPFZOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053319
OC(=O)C1CCc2c1nc(s2)NCCc1cnn(c1)C	PC-id_104289115	292.357	NCUPSWXHYKKAAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053320
OC(=O)C1CCc2c1nc(s2)NCCc1nccn1C	PC-id_104288467	292.357	MRZOCASFMPGEIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053321
OC(=O)C1CCc2c1nc(s2)NCCCc1ncc[nH]1	PC-id_116341227	292.357	OWEFWBDVHLOSAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053322
OC(=O)C1CCc2c1nc(s2)NCCCn1cccn1	PC-id_104449768	292.357	GNUJBHJKNJYOOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053323
OC(=O)C1CCc2c1nc(s2)NCCn1ncc(c1)C	PC-id_105944779	292.357	KYGVVUWQJRFTJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053324
OC(=O)c1nnn(c1)CCNCc1sc2c(c1)CCC2	PC-id_103242932	292.357	PUNSCCRCIOOGST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053325
O=S(=O)(Cc1ccccc1)NCc1nnc2n1CCC2	ZINC22_40527132,PC-id_45821764,CoCoCo_4890766,EMOLS-id_31949737,MCULE-9813463332	292.357	RHYGFHVKUJHJHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053326
O=S(=O)(N1Cc2c(C1)cn[nH]2)NCCc1ccccc1	EMOLS-id_319656240	292.357	ZKDMHVGJUBDVQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053327
O=S(=O)(N1CCn2c1ncc2)NCCc1ccccc1	MCULE-1491565506,EMOLS-id_319992911	292.357	IVAPPSUAZGLMQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053328
s1c2c(CCC2)cc1CNc1c(n(c(=O)[nH]c1=O)C)N	PC-id_61208761	292.357	CBUDBIDEXFCHMY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053329
s1c2CCCc2cc1CNc1nc(OC)nc(OC)n1	PC-id_62862289	292.357	NGTUBXQCOKKHOM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053330
s1c2c(CCC2)cc1CNc1n(nc(c1[N+](=O)[O-])C)C	PC-id_61208199	292.357	MZEBOZYVWKNVRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053331
s1c2CCCc2cc1CNc1nn(c(=O)n(c1=O)C)C	PC-id_61208200	292.357	CHGGBDIDPMHWOH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053332
s1c2CN(C(C)C(=O)NCc3occc3)Cc2nc1N	PC-id_82194283	292.357	MTHRJQIMNTZCQN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053333
s1c(CNC(c2n3CCCc3nn2)C)cc(c1)C(=O)O	PC-id_80330072	292.357	AWTDQLYSYMKMPG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053334
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccccc1	PC-id_60707743	292.357	JPMWAYPOINVUGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053335
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1ccccc1	PC-id_63738504	292.357	UAPZAUJWXAVBPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053336
Cc1csc(CNC(=O)NCc2nnc3n2CCC3)n1	ZINC22_48349588,PC-id_71894919,EMOLS-id_45752791,MCULE-6201564051	292.36	XQPMCHUVDRGCCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053337
Cc1csc(NC(=O)NCCc2nnc3n2CCC3)n1	EMOLS-id_49092256,ZINC22_96454078,MCULE-4914433371,PC-id_71977796	292.36	TWJVFWJOCGFWMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053338
Cc1nc(CNC(=O)NCc2nnc3n2CCC3)cs1	PC-id_71893491,MCULE-7378610357,ZINC22_45326061,EMOLS-id_45753786	292.36	PJNIPRCUCVDDDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053339
Cc1sc(c(n1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319431910	292.36	GNQRPWHNZNVLTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053340
CCc1cnc(s1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319761006	292.36	SYKIXMDHJIZEMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053341
CCc1nnsc1C(=O)NCCc1nnc2n1CCC2	ZINC22_42502782,EMOLS-id_35706182,PC-id_53520146,MCULE-8272124358	292.36	QDEIBAYMBPADNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053342
CCc1nnsc1C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_48366667,PC-id_53499376,EMOLS-id_35706558,MCULE-5367056563	292.36	XRBXXSOECQAPBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053343
CC(Cc1nsc(n1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319360069	292.36	YGJGTTFKWVTVEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053344
Cn1nncc1NC(=O)NCCc1nc2c(s1)CCC2	ZINC22_931276507,EMOLS-id_316324506,MCULE-7469219013	292.36	KBCSZDNOQBZDQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053345
CNc1nnc(s1)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319426484	292.36	KPFGKPBFHFNEGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053346
O=C(C(n1cncn1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99842399	292.36	VBDOMZVMXAVSNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053347
O=C(NC1CCn2c1ncc2)Nc1snc(n1)C(C)C	MCULE-2855472025,EMOLS-id_319976408	292.36	YFXLWPXLPBFCKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053348
S1CCn2c(NC(=O)CCc3c([nH]nc3C)C)nnc12	PC-id_73293214	292.36	MFFZLCHXVSDXCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053349
s1cc(nc1CN)C(=O)NC(c1n2CCCc2nn1)C	PC-id_66377239	292.36	HPRZIPDYNJIVGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053350
s1cc(nc1CN)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_66377852	292.36	XEDXULHWSIZKMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053351
s1cc(nc1N)CC(=O)NC(c1n2CCCc2nn1)C	PC-id_62799242	292.36	YDUWAJGQKICGDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053352
s1cc(nc1N)CC(=O)N(Cc1n2CCCc2nn1)C	PC-id_62799977	292.36	BXJUNFDOQOMVHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053353
s1c(C(=O)N(Cc2n3CCCc3nn2)C)c(nc1N)C	PC-id_62792579	292.36	YSPSKYLXHLMEFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053354
s1c(C(=O)NC(c2n3CCCc3nn2)C)c(nc1N)C	PC-id_62794780	292.36	AXVWDYPYIVMNCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053355
CNC(c1sc2c(n1)CCC2)(CCCC(F)(F)F)C	PC-id_116535730	292.364	DUVXTDILZJOULY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053356
COc1ccc(cc1F)CC(c1sc2c(c1)CCC2)O	PC-id_115782158	292.368	ZOHLZRABVADPAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053357
COc1cccc(c1F)CC(c1sc2c(c1)CCC2)O	PC-id_115832657	292.368	WZNFOHSGTPCPTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053358
COc1ccc(cc1C(c1sc2c(c1)CCC2)NN)F	PC-id_105330835	292.372	QMSDVGRLKVGTPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053359
COc1ccc(c(c1)F)C(c1sc2c(c1)CCC2)NN	PC-id_103397779	292.372	XIJJEURLCHQWJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053360
COCCOCCC1C(O)c2c(S1(=O)=O)scc2	PC-id_21735838,SCHEMBL9653524	292.372	FVUZQDVHUVDAHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053361
Fc1ccc(cc1)C(CNCc1sc2c(n1)CCC2)O	PC-id_109948522	292.372	PMEJQNWOGVCZJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053362
NNC(c1cccc(c1F)OC)c1sc2c(c1)CCC2	PC-id_105329315	292.372	QKYCPIYENUCGDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053363
NNC(c1sc2c(c1)CCC2)c1ccc(c(c1)F)OC	PC-id_105303968	292.372	ZXFZNAZZRDBVBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053364
OC(c1ccccc1F)CNCc1sc2c(n1)CCC2	PC-id_109948529	292.372	KYDIBPBVTFZXFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053365
OCc1cc(CNCc2sc3c(n2)CCC3)ccc1F	PC-id_109948763	292.372	CWEQPQKJLYRGAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053366
s1c2CCCc2nc1C(NC)c1cc(F)c(OC)cc1	PC-id_65096170	292.372	NJRQDWCGUKAVNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053367
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1CCCOC1	EMOLS-id_330974649,MCULE-6907849958	292.373	YKLYGLYZZLQGLQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053368
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1CCOCC1	EMOLS-id_330974137,MCULE-6842213809	292.373	HHNOBMCBSBNZGN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053369
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1CCOC1	MCULE-2288568411,EMOLS-id_330979007	292.373	WUFPUAOTUUKDDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053370
CCCCC(=O)N(c1onc2c1CCC2)C(=O)CCCC	SCHEMBL5929518,PC-id_58664493	292.373	AHODZZASJRSBPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053371
CN(C)C1(CNC(=O)c2occ3c2CCC3)CCOCC1	MCULE-4506097849,ZINC22_353065197,EMOLS-id_177211347	292.373	SAXQMXWJTLYNKG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053372
COCC1(O)CCCN(CC1)C(=O)c1[nH]c2c(c1)CCC2	MCULE-3740203982,EMOLS-id_320128220	292.373	JPTMZBRRCQQATL-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-053373
o1nc2c(CCC2)c1N(C(=O)CC(C)C)C(=O)CC(C)C	PC-id_58664475	292.373	MIXJBSIDSDDJFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053374
O=C(C1Nc2c(C1)occ2)N1CCC(CC1)CC(O)(C)C	PC-id_70848766,SCHEMBL13175648	292.373	CQNWEYHMTVOFFA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053375
OC(=O)C1CCc2c1sc(c2C(=O)c1cccs1)C	SCHEMBL10740617,PC-id_13588812	292.373	HOHLIDPOMPVXNX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053376
O(C(=O)c1c(n2c(CCC2)c1)CCCCCNC(=O)C)C	PC-id_10017218	292.373	HSCWSEFPHXVJSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053377
O(C(=O)c1c(n2c(CCC2)c1C)CCCCNC(=O)C)C	PC-id_10039997	292.373	SXHGSHMCHAYVTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053378
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)[O-]	PC-id_2507859	292.373	OSJJBTBVDMMNOY-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-053379
Cc1nc(NCCc2sc3c(n2)CCC3)c(c(n1)C)F	EMOLS-id_318529838,MCULE-8252865136	292.375	IMSLQRMQPOCZCD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053380
CC(=C)C1Cc2c(C1)n(nc2C)C(=O)/C=C/c1ccccc1	EMOLS-id_25868860,PC-id_5724015,STOCK1N-09733	292.375	GURCTJFTCBNJBJ-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053381
CC(=C)[C@H]1Cc2c(C1)n(nc2C)C(=O)/C=Cc1ccccc1	CoCoCo_669163	292.375	GURCTJFTCBNJBJ-YDZSZYSISA-N	00000010100000110001000010000000000000000000000000000000	25-01-053382
CC(=C)[C@@H]1Cc2c(C1)n(nc2C)C(=O)/C=Cc1ccccc1	CoCoCo_669164	292.375	GURCTJFTCBNJBJ-ZBTGYSDGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053383
C=C(C)[C@@H]1Cc2c(C)nn(C(=O)/C=C/c3ccccc3)c2C1	CoCoCo_669165,PC-id_7076558,ZINC22_4026523	292.375	GURCTJFTCBNJBJ-ZNFPLGDCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053384
C=C(C)[C@H]1Cc2c(C)nn(C(=O)/C=C/c3ccccc3)c2C1	PC-id_7076559,ZINC22_4026524,CoCoCo_669162	292.375	GURCTJFTCBNJBJ-SCOAYWHSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053385
n1(C(=O)C=Cc2ccccc2)nc(c2CC(C(=C)C)Cc12)C	MCULE-1019321651,CNP0364063,PC-id_2856270	292.375	GURCTJFTCBNJBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053386
c12CN(Cc1nn(CC1CCC1)c2CN(C)C)C(=O)OC	MCULE-7471091118,EMOLS-id_324350054	292.377	NCYIAAUZIWIWFQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053387
c12CN(Cc1nn(CC1CCCC1)c2CNC)C(=O)OC	EMOLS-id_324351074,MCULE-5832788974	292.377	DFCZQLUCYPCDGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053388
c1(CN2CCN(CC2)C(=O)OCC)c2CCCc2nn1C	ZINC22_891451506,EMOLS-id_330965797,MCULE-5986912810,PC-id_155980489	292.377	WBPJAELOIZNASZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053389
c1(C(=O)NCCN2CCCCC2)cc2n(C[C@@H](OC)C2)n1	MCULE-2096167628,EMOLS-id_316335455	292.377	CUJOVEKEBVVARC-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053390
c1(C(=O)N[C@@H]2[C@@H](OC)CN(C(C)C)C2)c2CCCc2[nH]n1	PC-id_77092095,MCULE-1802445321,ZINC22_216046882,EMOLS-id_49889943	292.377	XSMZLFBWRYACDH-STQMWFEESA-N	00000010100000000001000010000000000000000000000000000000	25-01-053391
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)N	MCULE-5283377926,EMOLS-id_3986341,PC-id_902887,TIMTEC405046,SPECS-id_AK-968/11108259,ZINC22_482644,CoCoCo_6761467,SPECS-id_AN-153/I181388	292.377	QLNSRKGIWCBRRR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053392
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC#C	MCULE-8045760839,EMOLS-id_186649996	292.377	MSSUAYVOGCQIIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053393
Cc1c2n(CCO2)nc1C(=O)NCC1(CCCC1)N(C)C	PC-id_91959934	292.377	OKRDLSZSZYOWRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053394
CC1(CC(CC(N1)(C)C)NC(=O)c1nn2CCOc2c1)C	PC-id_91959852	292.377	BMAPUWLXTQWBDO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053395
CC1(C)COCCN1CCNC(=O)c1cnn2c1CCC2	ZINC22_333519633,MCULE-3898256739,EMOLS-id_101205708	292.377	GSUJVJIABGVANK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053396
CC1CN(CC(O1)(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436729	292.377	KGKBPFQGOANQGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053397
CCC1(CO)CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574936	292.377	ACWNNGKVXBENDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053398
CCC1COC(CN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101581149	292.377	YAIXAEWMXOVHDQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053399
CCC1(C)OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421630	292.377	KNOJMBPMLHWRRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053400
CCC1OC(C)CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101415657	292.377	FZWWAHWVIHUXSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053401
CCC1OCCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574843	292.377	GKVGVZZBAJKLMD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053402
CCC1OCCN(C1)CCNC(=O)c1cnn2c1CCC2	MCULE-8342625751,EMOLS-id_316888928	292.377	KBQNTQXNWRAVLW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053403
CC(C1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101420349	292.377	AZDLBSFIFBBISD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053404
CCCC1(COCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574777	292.377	ZQNVPPYGMYCDQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053405
CCCC1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418822	292.377	MKIDURFUWACDNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053406
CCC(C)N1Cc2c(C1)n(C)nc2C(=O)N1CCOCC1	PC-id_118744860,EMOLS-id_44325411	292.377	GMOFJRFKXISOSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053407
CC[C@@H]1CN(CCNC(=O)c2cnn3c2CCC3)CCO1	ZINC22_562710052	292.377	KBQNTQXNWRAVLW-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053408
CC[C@H]1CN(CCNC(=O)c2cnn3c2CCC3)CCO1	ZINC22_562710053	292.377	KBQNTQXNWRAVLW-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053409
CC[C@@H](C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1	PC-id_97462013,ZINC22_96187555	292.377	GMOFJRFKXISOSS-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053410
CC[C@H](C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1	PC-id_97462014,ZINC22_96187556	292.377	GMOFJRFKXISOSS-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-053411
CC(CN1CCN(C(C1)C)C(=O)c1n[nH]c2c1CCC2)O	EMOLS-id_111409555	292.377	NYJYANDKADXWLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053412
CCC(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)CO	PC-id_112366646	292.377	DPKQBCSZVYQKHJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053413
CC(C(N1CCOCC1)C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101193928	292.377	IPCWISJZVNUTPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053414
CC(C)n1nc(CN2CCCC2=O)c2c1CN(CCO)C2	ZINC22_96259182,EMOLS-id_44369910,PC-id_97519268	292.377	BYSMMIBUSJLOHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053415
CC(C)n1nc(CN2CCOCC2)c2CN(Cc12)C(=O)C	ZINC22_2055719454,EMOLS-id_313736915	292.377	HZRYETKMUYMHEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053416
C[C@H]1CCC[C@]1(O)CNC(=O)N[C@H]1C[C@@H](C)n2ccnc12	ZINC22_334093341	292.377	PMAYROGKLPHOOW-OXIQGZBJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053417
C[C@H]1CCC[C@@]1(O)CNC(=O)N[C@H]1C[C@@H](C)n2ccnc12	ZINC22_334093342	292.377	PMAYROGKLPHOOW-OZTPJHRESA-N	00000010100000000001000010000000000000000000000000000000	25-01-053418
C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CCC[C@H]2C)c2nccn12	ZINC22_334093339	292.377	PMAYROGKLPHOOW-FJJYHAOUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053419
C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CCC[C@H]2C)c2nccn12	ZINC22_334093340	292.377	PMAYROGKLPHOOW-MCYUEQNJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053420
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](C)N1CCO	EMOLS-id_316875386,MCULE-4524317379,ZINC22_584156606	292.377	CSTWAKXGYREWKL-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053421
CCN1CCC(CC1C)N(C(=O)c1nn2c(c1)OCC2)C	EMOLS-id_99645375	292.377	IFCOMXNOECNFTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053422
CC(N(C(=O)c1cc2n(n1)CCO2)C)C1CCN(CC1)C	EMOLS-id_111210312	292.377	XQCVOWNEVMCEHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053423
CCN(C(=O)NC1CC(n2c1ncc2)C)CC1CCCO1	EMOLS-id_101421636	292.377	TYPAJZBPOFTGAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053424
CCOC1(CCCC1)CNC(=O)NC1CCn2c1ncc2	EMOLS-id_316931939,MCULE-1162563694	292.377	NEFUNQPGOYRWDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053425
CC(OC1CCC(CC1)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318960557	292.377	JVCWRGGCTQTYDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053426
CCOC1(CNC(=O)N[C@@H]2CCn3ccnc23)CCCC1	ZINC22_1434807500	292.377	NEFUNQPGOYRWDJ-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053427
CCO[C@@H]1CCC[C@H]1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101423046	292.377	RIWHWNBSYAHURM-POOIEITISA-N	00000010100000000001000010000000000000000000000000000000	25-01-053428
CC(=O)NCC1CN(CCO1)Cc1c2CCCc2nn1C	PC-id_136568439,EMOLS-id_316980443,MCULE-5762170576	292.377	GCNIPXAEFVYYPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053429
CC(=O)NC[C@@H]1CN(Cc2c3c(nn2C)CCC3)CCO1	ZINC22_892055089	292.377	GCNIPXAEFVYYPG-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053430
CC(=O)NC[C@H]1CN(Cc2c3c(nn2C)CCC3)CCO1	ZINC22_892055094	292.377	GCNIPXAEFVYYPG-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053431
CN1CCC(CC1)OCC(=O)Nc1c2CCCc2nn1C	EMOLS-id_316962459,PC-id_136562783,MCULE-7219973831	292.377	TXQLFYFJSNIUCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053432
CN(CC1(O)CCN(C1)C(=O)c1n(C)nc2c1CCC2)C	EMOLS-id_319298660	292.377	QMFXPAFKXYNBPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053433
CN(CC1(O)CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	MCULE-7564304668,EMOLS-id_258164974	292.377	HDRWJZSNPBCYQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053434
CN(C(CN1CCCC1)(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_101781619	292.377	OJHPKQYJMJABAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053435
CN(C)C(=O)c1nn(C)c2c1CN(CC1CCOCC1)C2	EMOLS-id_44325367,PC-id_97461996,ZINC22_96187538	292.377	NNPWTDHLDHRJFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053436
COC1CC(C1(C)C)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101373289	292.377	FMAVUNKAOFEENA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053437
COC1(CCC1)C(NC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101702318	292.377	IGQWZFOWMNTXFW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053438
COC1CCCC1CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101366056	292.377	PTBLFZWZSLKVOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053439
COC1(CCCC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101488955	292.377	LOONMVCLSICRNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053440
COC1(C)CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421723	292.377	QWJJPEHQNDRNKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053441
COC(C1CCCCC1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318772118	292.377	YVQWWHRBNWVNKZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053442
COCC1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572803	292.377	DURDXPHTNCDPCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053443
COCC1(CCNCC1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_302871983,PC-id_120890523,MCULE-1244683986	292.377	FWUATEMPHUKUJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053444
COCCN(CCNC(=O)c1n[nH]c2c1CCC2)C1CC1	PC-id_75419542,MCULE-5645758829,EMOLS-id_48228850,ZINC22_95349268	292.377	GKPOUPXWBLGDMF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053445
OC1CCN(CC1)CCCNC(=O)c1n[nH]c2c1CCC2	PC-id_111434007	292.377	FKSPLQSXOZWZFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053446
OCC1CCN(CC1)CC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319084747	292.377	SNSFAMPGOXQEGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053447
OCC1CCN(CC1)CC(=O)NCc1n[nH]c2c1CCC2	MCULE-4459560921,EMOLS-id_320258565	292.377	LRYZNXBPBWJCGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053448
O=C(c1cnc2n1CCC2)NCCCN1CCOCCC1	EMOLS-id_320075289,MCULE-1201484722	292.377	GLSYGKJLQRKKGU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053449
O=C(c1cnn2c1CCC2)NCCCN1CCOCCC1	EMOLS-id_319993551,MCULE-2216403111	292.377	WWDGJFMSFYWTMK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053450
O=C(c1cnn2c1CCC2)NC(CN1CCOCC1)(C)C	EMOLS-id_101844202	292.377	AEEXTYRBFCZRMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053451
O=C(c1nn2c(c1)CCC2)NC(CN1CCOCC1)(C)C	EMOLS-id_101844205	292.377	PFVAQINHEGYGLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053452
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)CC(O)(C)C	EMOLS-id_110733070	292.377	WKOPTBZGZMQKNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053453
O=C(c1n[nH]c2c1CCC2)NCCCN1CCOCCC1	EMOLS-id_319121825	292.377	NEYLQININRJSHM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053454
O=C(C1OCCN(C1)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319617065	292.377	AESUGCATMUVIQA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053455
O=C(c1sc2c(c1)CCC2)NNC(=O)c1ccsc1	EMOLS-id_17217378,PC-id_24249245,CoCoCo_3910317,MCULE-1816473808	292.377	HOFXIHWOOMYOLE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053456
OCC(C1CCCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422914	292.377	BGCISIIOTRSBSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053457
O=C(C(CN1CCOCC1)(C)C)NC1CCn2c1ncc2	EMOLS-id_316627164	292.377	UCXHJBFWFVJGST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053458
O=C(C(CN1CCOCC1)C)NCc1cnc2n1CCC2	EMOLS-id_319109058	292.377	HSNFADKGTTVBRU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053459
O=C(C(CN1CCOCC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319333884	292.377	UVCIXVFNUOTGPX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053460
O=C(CN([C@@H]1CCC[C@H]1O)C)NCc1nn2c(c1)CCC2	EMOLS-id_319394311	292.377	WBYDIOMTXDMKKR-ZIAGYGMSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053461
O=C(CN([C@@H]1CCC[C@H]1O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319062421	292.377	XWBYDEURQPAEJP-ZIAGYGMSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053462
OCCN(C(=O)c1cnn2c1CCC2)C1CCN(CC1)C	EMOLS-id_320131762,MCULE-4869269806	292.377	IQYHMYXOPASFBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053463
O=C(NC1CC(n2c1ncc2)C)NC(C1CCCCO1)C	EMOLS-id_101372596	292.377	XZZQEIGHLCZNHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053464
O=C(NC1CC(n2c1ncc2)C)NCC1(O)CCCC1C	MCULE-2000832767,EMOLS-id_101572896	292.377	PMAYROGKLPHOOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053465
O=C(NC1CC(n2c1ncc2)C)NCC1(O)CCCCC1	EMOLS-id_101579337	292.377	VZTIZPGDQKMUCU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053466
O=C(NC1CC(n2c1ncc2)C)NCCC1CCCCO1	EMOLS-id_101380189	292.377	MFFIHSQFXFWODO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053467
O=C(NC1CC(n2c1ncc2)C)NC[C@H]1CCCC[C@@H]1O	EMOLS-id_101572821	292.377	SVEBKKUWQAMSOK-KPFVRQRISA-N	00000010100010000001000010000000000000000000000000000000	25-01-053468
O=C(NC1CC(n2c1ncc2)C)NC[C@@H]1CCCC[C@H]1O	EMOLS-id_101572824	292.377	SVEBKKUWQAMSOK-PYNQCMFNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053469
O=C(NC1CC(n2c1ncc2)C)N[C@@H]1C[C@@H](C1)OC(C)C	EMOLS-id_101572797	292.377	WWLIPIUVHZKJAL-UNTZMWQOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053470
O=C(N(CC1CCCCO1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101436687	292.377	ASJSCHFMPSTLLV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053471
O=C(N(CC1(O)CCCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101577051	292.377	SAWZEIMJDMPKFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053472
s1c2CCCc2cc1C(=O)Nc1scc(n1)C(=O)C	PC-id_60716967	292.377	USAFGIUYJLUERL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053473
s1c2CCCc2cc1C(=O)NNC(=O)c1sccc1	PC-id_27684458	292.377	DUPCPEORVUVANI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053474
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C#N	PC-id_7119575	292.377	ULZNJQZATVASHY-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-053475
s1c2CC(C([N+](=CNC#N)CC(=O)OC)c2cc1)(C)C	PC-id_20069466	292.377	LLQXAGLFNFKZPT-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-053476
S1Cc2c(noc2NC(=O)c2c(SC)cccc2)C1	PC-id_49719096	292.377	FYKVJXPDIBVZBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053477
N#CC1(CC(C1)NC1CC(n2c1ncc2)C)c1ccccc1	EMOLS-id_318677484	292.378	XBSCUMJWWSCIPW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-053478
N#Cc1cccc(c1)C1(CC1)NC(c1cc2n(n1)CCC2)C	EMOLS-id_318439854,MCULE-3987942184	292.378	MLJHAEGVYZSFSC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-053479
C1CSc2n/c(=NC(=O)NCc3ccccc3)/sn12	PC-id_134860003	292.38	GUOSIKDEUSNTDA-SDNWHVSQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053480
c1(nnc2SCCn12)NC(=O)c1ccccc1SC	EMOLS-id_16349523,PC-id_22582994,CoCoCo_2590563,MCULE-9537613285,ChEMBL-DNDi_CHEMBLF2079-0155	292.38	MECMLRYGHAOARI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053481
CCNC(=NCc1nnc2n1CCC2)NCC1CCCO1	PC-id_111020209	292.38	LURAINIMTALCSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053482
CC(=O)N1CCN(CC1)CCNC1CC(n2c1ncn2)C	EMOLS-id_319022964	292.38	TXNOGRBXLKHBKA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053483
CN1CCN(CC1)C(=O)CCNC1CC(n2c1ncn2)C	EMOLS-id_319508773	292.38	CKHIKIXIEWCPCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053484
CN=C(NCC1(C)CCCO1)NCc1nnc2n1CCC2	PC-id_109596134	292.38	AIVMMJYXXOWKBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053485
COCC1CCN(C1)C(=NC)NCc1nnc2n1CCC2	PC-id_119143400	292.38	YYYVZENBMPVJAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053486
O=C(NC(c1n2CCCc2nn1)C)CN1CCCNCC1	PC-id_62838627	292.38	PKTCMVYPJHVUDJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053487
O=C(N(Cc1n2CCCc2nn1)C)CN1CCCNCC1	PC-id_62839223	292.38	MTTCYBRLSWCSFL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053488
O=C(NC(c1n2CCCc2nn1)C)CN1CCC(N)CC1	PC-id_79322461	292.38	HIDNYEXATYRTNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053489
O=C(N(Cc1n2CCCc2nn1)C)CN1CCC(N)CC1	PC-id_79323215	292.38	LGQJAIBUVKXJFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053490
O=C(NC(c1nnc2n1CCC2)C)NCCN(C1CC1)C	EMOLS-id_99010078	292.38	BICGNCSMRLGAPC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053491
s1c2CCCc2cc1C(=O)Nc1[nH]ncc1C(=S)N	PC-id_79504541	292.38	JNYNEKYCLQPSNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053492
C/C=C(/c1sc2c(n1)CN(C2)C(=O)OC(C)(C)C)C=C	PC-id_144675233	292.396	WMDAFUOFQWXCKA-JXMROGBWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053493
CC(CC(c1ccco1)O)NCc1sc2c(n1)CCC2	PC-id_109948788	292.396	JPSSHRDFGFLKTQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053494
CC(C)(C)OC(=O)Nc1sc2CCC(C)(C)c2c1C#N	EMOLS-id_331224626	292.396	MWMHTFJCIHOXIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053495
CCCn1ncc(c1C(c1sc2c(c1)CCC2)O)OC	PC-id_115837631	292.396	VRRZOUMUWSBPNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053496
CC(=O)N1CCCN(C(=O)c2cc3c(s2)CCC3)CC1	PC-id_53500319,ZINC22_65399426,MCULE-9035838383,EMOLS-id_35686832	292.396	PRYJKTHGBQOFCK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053497
CC(=O)NC1CCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_87005912	292.396	CTYAMHJCFDKXJL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053498
COc1cnn(c1C(c1sc2c(c1)CCC2)O)C(C)C	PC-id_115837224	292.396	XZKUSFNOHHVJTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053499
O=C(CNC(=O)C1Cc2cscc2C1)NC1CCCC1	ZINC22_2325784826	292.396	MMXRGQFKIDVJQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053500
O=C(Nc1sc2c(c1C(=O)N)CCC2)CC1CCCC1	PC-id_60001359,SCHEMBL8290850	292.396	PWJFDXGQNHLJFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053501
O=C(NCC(=O)N1CCCCC1)c1cc2c(s1)CCC2	MCULE-4460601106,ZINC22_193501696,EMOLS-id_316800204	292.396	YZNRHRYIDUSCTH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053502
ON=C1CCN(CC1CC)C(=O)c1sc2c(c1)CCC2	PC-id_104931251	292.396	WDUQQGSPFGWNBZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053503
s1c2c(CCC2)cc1CNC1CC(=O)N(C1=O)CCC	PC-id_61207596	292.396	FSFTTWCPZMIOOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053504
s1c2c(CCC2)cc1CNC1CC(=O)N(C1=O)C(C)C	PC-id_61207597	292.396	BALIXYSEDZVOPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053505
s1c2c(CCC2)c(c1N(C(C)C)CC(C)C(=O)O)C#N	PC-id_82310030	292.396	YKWZFFPLHMOTII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053506
c1(NC(=O)C2CCCC2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334335698,MCULE-1694629709	292.397	JHKBYOCHQUKWPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053507
c1(NC(=O)C2CCCCC2)sc2c(CCC2)c1C(=O)N	MCULE-9172714020,ZINC22_6613427,PC-id_3417749,SPECS-id_AN-153/KC18226,CoCoCo_2590234,EMOLS-id_9609130	292.397	WKWHYXLESQZYNV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053508
C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183570	292.397	OORUFVXMBHWPTH-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053509
CC(CNC(=O)c1cc2c(s1)CCN2C(=O)C1CC1)C	PC-id_97410582	292.397	IRIGDVVTGIIUKV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-053510
NC(=O)CC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_86996690	292.397	RZHCSVFCJTYNJJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053511
NC(=O)CN(C(=O)c1cc2c(s1)CCC2)C1CCCC1	PC-id_71941219,MCULE-2606907778,ZINC22_84338861,EMOLS-id_44496395	292.397	DLFTVECRUYDBHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053512
OC(=O)C1CCc2c1nc(s2)N(CC1CC1)CC1CC1	PC-id_104288872	292.397	XJTYSZWIODENPE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053513
OC(=O)C1CCc2c1nc(s2)NCC(C1CC1)C1CC1	PC-id_104288978	292.397	RUPVBIMUYFVPPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053514
s1c2c(CCC2)cc1C(=O)NC1CCN(CC1)C(=O)C	PC-id_47114514	292.397	XXYAAENLOQIGAN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053515
s1c2CCCc2cc1C(=O)NCCC(=O)N1CCCC1	PC-id_47110507	292.397	NUCCAWIHLKATHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053516
s1c2CCCc2cc1C(=O)NNC(=O)C1CCCCC1	PC-id_27684424	292.397	CIJRFUXIBUBWSW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053517
s1c2CCCc2cc1C(=O)NNC(=O)CC1CCCC1	PC-id_47102787	292.397	GZVJHPZFMYJFKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053518
s1c2c(CCC2)c(c1N(CCCC)CCC(=O)O)C#N	PC-id_82309885	292.397	AQDMJCWOXRSZIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053519
s1c2c(CCC2)c(c1N(CC(C)C)CCC(=O)O)C#N	PC-id_82310229	292.397	GUDFDNLCFTWDBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053520
s1c2c(CCC2)c(c1N(CC(C)C(=O)O)CCC)C#N	PC-id_82309844	292.397	VFSZGKBBNQELJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053521
s1c(C(=O)NC2C3OCCCC3C2N)cc2c1CCC2	PC-id_66211721	292.397	DOPWFQDFSPMBAV-UHFFFAOYSA-N	00001010100010000000001010000000000000000000000000000000	25-01-053522
C=CCc1cccc(c1)C(=S)C1(CCn2c1ccc2)C#N	PC-id_88789029,SCHEMBL11500615	292.398	UWLATXBRIBDOKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053523
c1(NC(=O)NCCCN(C)C)sc2c(CCC2)c1C#N	ZINC22_6756305,MCULE-8664701910,EMOLS-id_4743571,STOCK6S-12646,PC-id_8070019	292.4	NAMXICWCHZWCAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053524
CC(NC1CC(n2c1ncn2)C)CC(c1cccs1)O	EMOLS-id_316575976	292.4	JDDCFHYXEZUQMU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053525
Cn1ncc(c1)C(CNCc1sc2c(n1)CCC2)(O)C	PC-id_109948648	292.4	OAFINIIHALWCHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053526
CNC(c1c(C)nn(c1OC)C)c1sc2c(n1)CCC2	PC-id_116015849	292.4	SQPKYPFTLHTUTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053527
COc1cnn(c1C(c1sc2c(c1)CCC2)NN)CC	PC-id_105339385	292.4	CKXLTBAUVHHOEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053528
COc1nscc1CN(Cc1n(C)nc2c1CCC2)C	EMOLS-id_319375297	292.4	DKXZFLXMIFWKSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053529
COc1nsc(c1)CN(Cc1n(C)nc2c1CCC2)C	EMOLS-id_319873719,MCULE-3488019453	292.4	UNYRRIIHOIDWOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053530
C(=O)(Nc1sc2CCCc2c1C#N)C(CCCCN)N	MCULE-2137190118,EMOLS-id_327949341	292.4	WKUQKKRBSBIIAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053531
OCCn1nc(c(c1NCc1sc2c(n1)CCC2)C)C	PC-id_109948756	292.4	YXFCTVFOJSYEJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053532
O=C(NC1CC2C(C1)C2)NCCc1cn2c(n1)SCC2	EMOLS-id_102197107	292.4	MQEDUQDWTBYWHQ-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-053533
s1c2c(CCC2)cc1CNCc1nnn(CCCO)c1	PC-id_66270266	292.4	CNNMCNCRCJHBSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053534
s1c2CCCc2nc1C(NCCOC)c1cn(nc1)C	PC-id_62542105	292.4	LNNPNPOIVCRMLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053535
s1c2CCCc2nc1C(NCCOC)c1n(cnc1)C	PC-id_66117126	292.4	LTZBEGYRJWBWBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053536
S(Cc1oc(CNC(c2n3CCCc3nn2)C)cc1)C	PC-id_43791525	292.4	NRPOQTFPBLDNCO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053537
CC(c1nnc2n1CCC2)Nc1nnc(s1)C(C)(C)C	PC-id_75484893,MCULE-6573483543	292.403	XUGGHIYTDKKLTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053538
CC(c1nnc2n1CCC2)Nc1snc(n1)C(C)(C)C	MCULE-1282188075,EMOLS-id_318430947	292.403	OQVRPWHGSKINJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053539
C[C@@H](c1nnc2n1CCC2)Nc1nnc(s1)C(C)(C)C	PC-id_97306254	292.403	XUGGHIYTDKKLTD-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053540
C[C@H](c1nnc2n1CCC2)Nc1nnc(s1)C(C)(C)C	PC-id_97306255	292.403	XUGGHIYTDKKLTD-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053541
CCOCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N	PC-id_12894333,SCHEMBL11611177	292.416	ZJIQYWMNLIDFTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053542
n1(c(c2C(CC(c2c1C)(C)C#N)(C)C)C)Cc1ccccc1	PC-id_12369120,SCHEMBL11332335	292.418	JHGBSKYXFRSFDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053543
Cc1scc(n1)CCNC(=O)c1sc2c(c1)CCC2	MCULE-9274189306,EMOLS-id_35697400,PC-id_31816502	292.42	TYRKIZWUJPFKBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053544
CCC(C1OCCC(C1)NC1CC(n2c1ncn2)C)CC	EMOLS-id_258183669,MCULE-3959893168	292.42	LTAUNDCIPFALAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053545
CC(C)N1Cc2c(CN3CCOCC3)nn(C(C)C)c2C1	ZINC22_2055718136,EMOLS-id_313733844	292.42	ZVRDWVCLNZEWMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053546
CS(=O)c1cccc(c1)NCc1sc2c(n1)CCC2	MCULE-3482857436,EMOLS-id_318630462	292.42	MCJNYAMLRBSEJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053547
O(C1C(C(NC(c2n3CCCc3nn2)C)C1)(CC)C)CC	PC-id_65168112	292.42	SHXZSALOMORUDQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-053548
s1c2c(CCC2)cc1CNCc1scc(c1)C(=O)N	PC-id_79613782	292.42	OVXIDZWXBDLYSS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053549
s1c2CCCc2cc1CNC(=O)c1sc(c(N)c1)C	PC-id_61207202	292.42	YPGHMPBNRQENJL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053550
s1c2CCCc2nc1NC(=O)CCCc1sccc1	PC-id_33039122	292.42	JKWOBZZBPJXQOO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053551
CCCCCCCCNC(=NCc1nnc2n1CCC2)N	PC-id_111039239	292.423	ZKGMGBODJVSEJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053552
CCCCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020213	292.423	BSPBELNZBSHQTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053553
CC(CCCC(NC(=NCc1nnc2n1CCC2)N)C)C	PC-id_111039245	292.423	HNIYPSSSPSNXLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053554
CCCCCC(NC(=NC)NCc1nnc2n1CCC2)C	PC-id_111195472	292.423	FVLSXIDRDFPDRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053555
CCNC(=NCc1nnc2n1CCC2)NCCCC(C)C	PC-id_111020129	292.423	ODLRFVSKXDBQSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053556
CCNC(=NCc1nnc2n1CCC2)NCC(CC)CC	PC-id_111778313	292.423	XMKDHZVRFRLJTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053557
CN=C(NCc1nnc2n1CCC2)NCCCCC(C)C	PC-id_111579683	292.423	WZXWFZIYLBDEFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053558
CN=C(NC(CCC(C)C)C)NCc1nnc2n1CCC2	PC-id_111203934	292.423	VLVHWIYDGYHBRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053559
CCOC(C1(O)OC(c2c1sc(=S)s2)(C)C)C	SCHEMBL12694965,PC-id_88950719	292.438	UIYONIKQOHRCLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053560
CC1CCCCN1CCNC(=O)c1sc2c(c1)CCC2	MCULE-4833465053,EMOLS-id_316762329	292.44	SVVKMTRMZXJJPS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053561
CC1(C)C(NCc2sc3c(n2)CCC3)C2C1OCCC2	MCULE-3989233263,EMOLS-id_318028654	292.44	KPYCSYIEAUHCDS-UHFFFAOYSA-N	00001010100010000001001010000000000000000000000000000000	25-01-053562
CC1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1	MCULE-5839509568,ZINC22_46956339,EMOLS-id_316762841	292.44	GNGREYLVDOASMQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053563
CC(C1(CCNC1)C(=O)NCc1sc2c(c1)CCC2)C	PC-id_106980339	292.44	AHHPIWDKGMIOII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053564
CCC1CCN(C(C1)CN)C(=O)c1sc2c(c1)CCC2	PC-id_103352415	292.44	NGZNLJPHOZHCKV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053565
CCC1CCNC(C1)C(=O)NCc1sc2c(c1)CCC2	PC-id_114428685	292.44	YQWJLPBYPMNXBH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053566
CCCC1(CCCN1)C(=O)NCc1sc2c(c1)CCC2	PC-id_106974866	292.44	PHMGMPYWPMJXIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053567
CCCCN(C1=NC(=O)c2c1c(C)sc2C)CCCC	PC-id_118579456,SCHEMBL17339799	292.44	ABLQWONNMARMAL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-053568
CC(CN1CCCC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_87025875	292.44	FBOZJOFVPZRNOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053569
CCCN(C(=O)c1sc2c(c1)CCC2)C1CCNCC1	EMOLS-id_301224352,PC-id_60806256,MCULE-2132578831	292.44	NQSSWSGVIWDCDN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053570
CCCN(C(=O)c1sc2c(c1)CCC2)CC1CCCN1	PC-id_106610772	292.44	ICKXNSWGICAICN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053571
C[C@@H]1CCCCN1CCNC(=O)c1cc2c(s1)CCC2	ZINC22_46858472	292.44	SVVKMTRMZXJJPS-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053572
C[C@H]1CCCCN1CCNC(=O)c1cc2c(s1)CCC2	ZINC22_46858474	292.44	SVVKMTRMZXJJPS-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053573
CCNCC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_301394327,MCULE-4875662886,PC-id_80551697	292.44	UYYXMRJHLWLMOI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053574
CCN(C(=O)c1sc2c(c1)CCC2)CC1CCCCN1	PC-id_106626265	292.44	OPWWDKQDMQQJOX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053575
CC(N(C(=O)c1sc2c(c1)CCC2)CC1CCCN1)C	PC-id_106610083	292.44	JZDXTGGKFHMEEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053576
CCN(C(=O)c1sc2c(c1)CCC2)CC1CCCNC1	PC-id_106629612	292.44	JHHKJUIAKVDWJM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053577
CNc1c(c2c(s1)CCC2)C(=O)NCC1CCCCC1	PC-id_135200427,SCHEMBL20354014	292.44	KLYNFAKYESJNPO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053578
CN(CCC1CCCN1C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_318899890	292.44	QDIPDUXSUGFCEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053579
CN(CCC1CCN(C1)C(=O)c1sc2c(c1)CCC2)C	MCULE-1344347820,EMOLS-id_320219834	292.44	TYODITDXUMRCBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053580
CNCCC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_64025246,MCULE-6140571287,EMOLS-id_302679724	292.44	VVUQDHIHBWRHFS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053581
NCC1(CCCCC1)C(=O)NCc1sc2c(c1)CCC2	PC-id_115437716	292.44	UVBYHCQUYXDMQB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053582
NCC(C1CCCCC1)NC(=O)c1sc2c(c1)CCC2	MCULE-3468569441,PC-id_81485916,EMOLS-id_301733662	292.44	UFXWKXCVEDFQGV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053583
O=C(c1c(N)sc2c1C(C)CC2(C)C)N1CCCCC1	PC-id_106662931	292.44	MZMNMTSXGNXKIC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053584
O=C(C1NCCCC1(C)C)NCc1sc2c(c1)CCC2	PC-id_105567674	292.44	MGDHVCCQUPNCDJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053585
O=C(c1sc2c(c1)CCC2)NCC1NCCCC1(C)C	PC-id_105565806	292.44	QHBHHLXBAVRNGI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053586
s1c2c(CCC2)cc1CNC(C(=O)N1CCCCC1)C	PC-id_61207792	292.44	ZWKZMHKARNHSNG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053587
s1c2c(CCC2)cc1CNCC(=O)N1CCCCCC1	PC-id_61207062	292.44	AFDJXIHJCKTJGW-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-053588
s1c2c(CCC2)cc1CNC(C(=O)NC1CCCC1)C	PC-id_61207988	292.44	FTDPRVDYCVXYDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053589
s1c2c(CCC2)cc1CNCC(=O)NC1CCCCC1	PC-id_61207063	292.44	JJBLVQGVFGFSKT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053590
s1c2c(CCC2)cc1CNC(=O)C1C(CCCC1)CN	PC-id_65881087	292.44	KOKMIKLCPOCWNA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053591
CCCCCCCCC(c1sc2c(c1)CCC2)NCC	PC-id_115835799	293.51	YZSVMBLVWNLZLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054390
s1c2c(CCC2)cc1CNC(=O)C1CCC(CC1)CN	PC-id_79527116	292.44	HCYNVUNVQDDWHA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053592
s1c2c(CCC2)cc1CNC(=O)C1(CCCNC1)CC	PC-id_63135073	292.44	DOAVSYQHHCZHCF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053593
s1c2c(CCC2)cc1CNC(=O)C1(CCNC1)CCC	PC-id_63141476	292.44	YCOXXCUPRFKDHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053594
s1c2c(CCC2)cc1CNC(=O)C1(CCNCC1)CC	PC-id_63128626	292.44	UULHIIQIUYUTGR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053595
s1c2c(CCC2)cc1CNC(=O)C1C(N)CCCCC1	PC-id_80157203	292.44	QHNRJMMZTSXFQR-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-053596
s1c2c(CCC2)cc1CNC(=O)C1(N)CC(CCC1)C	PC-id_64554640	292.44	JHRYAZPUEQMSOK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053597
s1c2c(CCC2)cc1CNC(=O)CC1(N)CCCCC1	PC-id_64678590	292.44	ZRZWDKOHNOUQNF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053598
s1c2c(CCC2)cc1CNC(=O)CCC1CCCNC1	PC-id_61707418	292.44	RPCNGXJNXGVRIB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053599
s1c2c(CCC2)cc1CNC(=O)CCC1CCNCC1	PC-id_62211286	292.44	NHBBGKRCFFCORB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053600
s1c2c(CCC2)cc1CNC(=O)CCC1NCCCC1	PC-id_62211287	292.44	LSXJNQOHNUCHNM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053601
s1c2c(CCC2)cc1C(=O)N(C1CCCNC1)CCC	PC-id_63637099	292.44	SSAPLFQUVGLBBG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053602
s1c2c(CCC2)cc1C(=O)NC1CCN(CC1)C(C)C	PC-id_51194554	292.44	GBNIGGLRVVXCJE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053603
s1c2c(CCC2)cc1C(=O)NC1CCN(CC1)CCC	PC-id_9264829	292.44	ZTMOHAZGDITTLV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053604
s1c2c(CCC2)cc1C(=O)N(CC1CCNCC1)CC	PC-id_79720405	292.44	YPFABFURVURLTG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053605
s1c2c(CCC2)cc1C(=O)NCC1(N(C)C)CCCC1	PC-id_51179363	292.44	RIJUFOQDMIRRFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053606
s1c(C(=O)N2C(CCCC2)CCNC)cc2c1CCC2	PC-id_64031758	292.44	VRIRAWRYJRKVBL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053607
s1c(C(=O)N2C(CNC(C2)CC)CC)cc2c1CCC2	PC-id_64978262	292.44	OXQWLXKORIEROP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053608
s1c(C(=O)N(C2C(CCC2)CN)CC)cc2c1CCC2	PC-id_65826950	292.44	LGDUEGIVVVCKNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053609
s1c(C(=O)N(C2C(CCCC2)CN)C)cc2c1CCC2	PC-id_65826274	292.44	ASUCTRLUXFHABW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053610
s1c(C(=O)N(C2CCC(N)CC2)CC)cc2CCCc12	PC-id_79115596	292.44	PZJRGZIPHFDDAS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053611
s1c(C(=O)N(C2CCC(NC)CC2)C)cc2CCCc12	PC-id_79110298	292.44	MVJQSSOAXHUDKJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053612
s1c(C(=O)NC2C(C(N)C2(C)C)(C)C)cc2c1CCC2	PC-id_79711674	292.44	JDNNPHCKURJRJP-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-053613
s1c2c(CCC2)cc1C(O)c1sc(C(C)(C)C)cc1	PC-id_81635047	292.459	WTOIUUIVBQIVQR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053614
CCc1ccc(s1)CC(c1sc2c(c1)CCC2)NN	PC-id_105296381	292.463	PETHXBQACPDFLS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-053615
CCCNC(c1sc2c(c1)CCC2)Cc1nccs1	PC-id_105014979	292.463	RUSASCXGDSCXJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053616
CCCNC(c1sc2c(c1)CCC2)Cc1scnc1	PC-id_105030413	292.463	WPQGJUUFTVWPNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053617
CCn1nc2c(c1NC(C)(C)C)CN(C2(C)C)C(C)(C)C	SCHEMBL13559115,PC-id_70936435	292.463	RGFJUGUMMFWOBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053618
CCn1nc(c2c1C(C)(C)N(C2)C(C)(C)C)NC(C)(C)C	SCHEMBL13559114,PC-id_70936434	292.463	WQXCNJZIJWYCPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053619
CCNC(c1sc2c(c1)CCC2)Cc1csc(n1)C	PC-id_104997237	292.463	YFBOWXDDKBVPPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053620
CCNC(c1sc2c(c1)CCC2)Cc1scc(n1)C	PC-id_105019484	292.463	MASZZQSJEBPEAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053621
CNC(c1sc2c(c1)CCC2)Cc1sc(c(n1)C)C	PC-id_105019545	292.463	GSVCQRKANDHHCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053622
s1c2c(CCC2)cc1CNC(c1nc(sc1C)C)C	PC-id_61208748	292.463	ZMRLFLZOHRAYOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053623
s1c2c(CCC2)cc1CNC(c1sc(nc1C)C)C	PC-id_63752943	292.463	RBZKJPLMNQZNKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053624
s1c2CCCc2nc1C(N)c1sc(C(C)(C)C)cc1	PC-id_81638762	292.463	GMNBRKXMFPTRQB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053625
s1c2CCCc2nc1C(NCC)c1c(sc(c1)C)C	PC-id_61556978	292.463	GKWWUSUFOCGBHV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053626
s1c2CCCc2nc1C(NCC)c1sc(cc1)CC	PC-id_55062509	292.463	BIMXQVASPLCZQC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053627
s1c2CCCc2nc1C(NC(C)C)c1sc(cc1)C	PC-id_61345200	292.463	AJJLKDMHDZXFKW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053628
s1c2CCCc2nc1C(NCCC)c1sccc1C	PC-id_61347543	292.463	SKBAIZBQHLBFGH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053629
s1c2CCCc2nc1C(NCCC)c1sc(cc1)C	PC-id_61347759	292.463	ILGDZKBXCUOMAQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053630
s1c2CCCc2nc1C(NC(C)C)c1sccc1C	PC-id_61347934	292.463	BCLWFSYRPMDMFL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053631
CCCCCCCCCCC(=O)c1sc2c(c1)CCC2	PC-id_114968924	292.479	UXKVCQDAYACBBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053632
CC(CN1CCC(CC1)NCc1sc2c(c1)CCC2)C	PC-id_103781473	292.483	LKCNBPZNBDRPRW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053633
NC(c1sc2c(n1)CCC2)C1CCC(CC1)C(C)(C)C	PC-id_104575715	292.483	KRTYPPWTBMGLGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053634
s1c2c(CCC2)cc1CNC(CC1NCCCCC1)C	PC-id_79560961	292.483	VTVUSFBEKCXADZ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-053635
s1c(CNC2CCN(CCC2)C(C)C)cc2c1CCC2	PC-id_65073918	292.483	KDTMDUFVDUYFAZ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-053636
s1c(CNC2CCN(CCC2)CCC)cc2CCCc12	PC-id_65073966	292.483	DEEDCSRLEMRFEZ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-053637
s1c(CNC(C2CCCN(C2)CC)C)cc2c1CCC2	PC-id_61206839	292.483	VOBWNMFPPSYZRC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053638
s1c(CNC(C2CCN(CC2)CC)C)cc2c1CCC2	PC-id_61207027	292.483	HKESCLAFZCSEHZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-053639
s1c(nc2c1CCC2)C(NC1CC1)(CC(CC)C)CC	PC-id_61333125	292.483	UJSZOAPJXPTTBY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053640
s1c(nc2c1CCC2)C(NC1CC1)(CCCCCC)C	PC-id_61335279	292.483	SDINGBBONSVLAJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053641
s1c(nc2c1CCC2)C(NC1CC1)CCCCCCC	PC-id_61335476	292.483	CUAOEELREKQDAT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053642
s1c(nc2c1CCC2)C(NC(C)C)(C1CCCCC1)C	PC-id_61333470	292.483	HUJUVSKITDUASV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053643
s1c(nc2c1CCC2)C(NCCC)(C1CCCCC1)C	PC-id_61334597	292.483	PICDHMOERCBBPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053644
s1c(nc2c1CCC2)C(NCCC)C1CCC(CC1)C	PC-id_65907596	292.483	JIQYMJNZOXOIPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053645
s1c(nc2c1CCC2)C(NC(C)C)C1CCC(CC1)C	PC-id_65908197	292.483	MSXXOXRVOASGJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053646
s1c(nc2c1CCC2)C(NCCC)C1CC(CCC1)C	PC-id_65922510	292.483	KOVBIGJLUFNPQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053647
s1c(nc2c1CCC2)C(NC(C)C)C1CC(CCC1)C	PC-id_65923120	292.483	XJAHWEHTBSBTKQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053648
s1c(nc2c1CCC2)C(NCCC)C1CCCCCC1	PC-id_65912092	292.483	XYKJFPXHBQRZHO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053649
s1c(nc2c1CCC2)C(NC(C)C)C1CCCCCC1	PC-id_65913853	292.483	GNARLEKCBMWFCX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053650
s1c(nc2c1CCC2)C(NC(C)C)CC1CCCCC1	PC-id_80400465	292.483	YPOXPXKBKZDELZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053651
s1c(nc2c1CCC2)C(NCCC)CC1CCCCC1	PC-id_80400719	292.483	JFDVKTIGIBCJJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053652
Clc1nc2[S](Cl)C=Cn2c1S(=O)(=O)Cl	PC-id_57514893	292.571	ZNEGNLWOTDCUGC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-053653
Clc1cc2c(s1)CCC2NCC(=C)Br	PC-id_116028896,EMOLS-id_262330240	292.623	RUWHBCHNLOQNTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053654
ClC(=C)CNC1CCc2c1cc(s2)Br	EMOLS-id_262330180	292.623	XZJGBASCBQRKBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053655
c1(C(=O)Nc2c(OC)ccc(Cl)c2)c2CCCc2on1	PC-id_3353808,ChEMBL-DNDi_CHEMBLC226-3271,MCULE-9157138617,EMOLS-id_15971936,TIMTEC544085,ZINC22_426304	292.718	XEUMZYYGUNKDRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053656
Clc1ccc(OCc2[nH]c3CCC(c3n2)C(=O)O)cc1	PC-id_84010924	292.718	CLEMCWWSTVWBDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053657
Clc1ccc(OCC(=O)Nc2onc3CCCc23)cc1	PC-id_16942307	292.718	DTTTVVQYEUORAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053658
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1[nH]ccc1	PC-id_20528162,SCHEMBL11272048	292.718	MXCDBSJGHNHYNW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-053659
Clc1[nH]c(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cc1	SCHEMBL10844268,PC-id_70455156	292.718	UTYVFWGSZAHFRP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-053660
C1Cc2c(nc(n2C1)NC(=O)Nc1cc(ccc1)Cl)O	PC-id_91936442,BindingDB_PC-id_91936442	292.721	UMSMTONOMSDWIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053661
C1Cc2c(nc(n2C1)NC(=O)Nc1ccc(cc1)Cl)O	PC-id_91936451,BindingDB_PC-id_91936451	292.721	MIKWIZIPMBUMOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053662
Clc1cc(O)c(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52024789	292.721	NYMIUJZEWNPNON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053663
O=C(c1ccc(c(c1)O)Cl)NC1CC(n2c1ncn2)C	EMOLS-id_319858639,MCULE-8609469508	292.721	WHQHDROXZOUMGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053664
Clc1cncc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319686027	292.724	IUMSJXZJYVLZJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053665
Clc1cncc(n1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_106550960	292.724	JHLVTPKTFFEOFY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053666
Clc1cnc(cn1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_107242376	292.724	BJTVCTBUSIQTLX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053667
Clc1cnc(cn1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_107371932	292.724	WCLUQTPWPVLPBP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053668
Clc1cncc(n1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_108073845	292.724	XXGHJUKRWBMRAQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053669
Clc1nccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319740522	292.724	CWFFSGAZDYXLOX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053670
Clc1ncccc1NC(=O)NCc1n2CCCc2nn1	PC-id_47434288	292.724	FOEBOFGJBFYLQL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053671
Clc1nnc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_61040790	292.724	XBOSFFQEIIEHQY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053672
Clc1nnc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_61053003	292.724	JUGBLSQUCYLTLJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053673
CC1CCc2c1c(C=O)nn2Cc1cccc(Cl)c1F	MCULE-2932055039,EMOLS-id_331004149	292.736	MJWNAMILJYSSDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053674
CC1CCc2c1c(C=O)nn2Cc1cccc(F)c1Cl	MCULE-1804207847,EMOLS-id_331002101	292.736	JNEZRJBKOPJFJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053675
CC1CCc2c1c(C=O)nn2Cc1ccc(Cl)cc1F	EMOLS-id_331004661,MCULE-2960591026	292.736	KBCAYOKQXVUZDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053676
CC1CCc2c1c(C=O)nn2Cc1ccc(Cl)c(F)c1	EMOLS-id_331002102,MCULE-1572907750	292.736	OXHROXPWFCPDCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053677
CC1CCc2c1c(C=O)nn2Cc1ccc(F)cc1Cl	EMOLS-id_331005684,MCULE-4958916452	292.736	GMUWLUIEYUQOAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053678
CC1CCc2c1c(C=O)nn2Cc1ccc(F)c(Cl)c1	MCULE-9935521825,EMOLS-id_331003893	292.736	PFAZASLUZJNXMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053679
CC1CCc2c1c(C=O)nn2Cc1cc(F)ccc1Cl	EMOLS-id_331005940,MCULE-8294032805	292.736	AXBLDSTXTJGSPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053680
CC1CCc2c1c(C=O)nn2Cc1cc(F)cc(Cl)c1	MCULE-5197205054,EMOLS-id_331004405	292.736	QNARLMMPMJDFIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053681
CC1CCc2c1c(C=O)nn2Cc1c(F)cccc1Cl	EMOLS-id_331005428,MCULE-8080939954	292.736	ACCZGXYFNSKAOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053682
CC1CCc2nn(Cc3cccc(Cl)c3F)c(C=O)c12	EMOLS-id_330987952,MCULE-6435319583	292.736	MKDGACRKFHERBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053683
CC1CCc2nn(Cc3cccc(F)c3Cl)c(C=O)c12	MCULE-6815644413,EMOLS-id_330985904	292.736	DBLOJFGSSQRNNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053684
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(C=O)c12	MCULE-6640795623,EMOLS-id_330988464	292.736	OSXNHAQWJVIUSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053685
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(C=O)c12	EMOLS-id_330985905,MCULE-8172311016	292.736	BWXHSSVQWTWTEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053686
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(C=O)c12	MCULE-8383694382,EMOLS-id_330985407	292.736	RXLGCPMCUJGZKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053687
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(C=O)c12	EMOLS-id_330987696,MCULE-4064569034	292.736	AEDGNBWTXMWZJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053688
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(C=O)c12	EMOLS-id_330985648,MCULE-3720565669	292.736	ADWNEZIVLCDUKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053689
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(C=O)c12	MCULE-8767308060,EMOLS-id_330988208	292.736	BQQFHNLUYADVNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053690
CC1CCc2nn(Cc3c(F)cccc3Cl)c(C=O)c12	MCULE-2263830987,EMOLS-id_330985151	292.736	WCVQYOIGMUNLMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053691
Cc1c(n2CCCc2c1)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19900868,PC-id_134285163	292.736	CVLULFFCCRXUNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053692
N#Cc1c(NC(=O)c2ccc(o2)Cl)sc2c1CCC2	PC-id_103601746	292.741	QOBOXPKPJHGFCX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-053693
N#Cc1c(sc2c1CCC2)NC(=O)c1ccoc1Cl	PC-id_113864532	292.741	KIHQYLHLDZBUKQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-053694
Clc1sc2CCC(Nc3cc(c(F)cc3)C#N)c2c1	PC-id_81252914	292.759	GCOYQGFNRUCOEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053695
Clc1sc2CCC(Nc3c(cc(F)cc3)C#N)c2c1	PC-id_82015084	292.759	LXWXBBDFZZUIDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053696
Clc1sc2CCC(Nc3c(c(F)ccc3)C#N)c2c1	PC-id_81252276	292.759	OQIYTMXQPWUORK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053697
Clc1sc2CCC(Nc3c(F)cc(cc3)C#N)c2c1	PC-id_81651390	292.759	VUFNDJYQNIRMKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053698
COc1ccc(Cn2nc3CCC(C)c3c2O)cc1Cl	MCULE-2943057007,EMOLS-id_331004589	292.761	MMRFBIKGMPBIHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053699
COc1ccc(Cn2nc3CCC(C)c3c2O)c(Cl)c1	EMOLS-id_331004845,MCULE-8220876557	292.761	OYPAVXLPEKSBOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053700
COc1ccc(Cn2nc(O)c3C(C)CCc23)cc1Cl	EMOLS-id_330958320,MCULE-6150552436	292.761	HTIBJWMFEDKPFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053701
COc1ccc(Cn2nc(O)c3C(C)CCc23)c(Cl)c1	EMOLS-id_330958576,MCULE-8920575921	292.761	KKJKGCRMQYEGMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053702
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1O	MCULE-2468459094,EMOLS-id_331008161	292.761	WKBDOGLPXNUHKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053703
COc1cc(Cl)ccc1Cn1nc(O)c2C(C)CCc12	MCULE-7499806325,EMOLS-id_330957812	292.761	OXHQFVPDCAQLSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053704
COc1cc(Cn2nc3CCC(C)c3c2O)ccc1Cl	EMOLS-id_331007905,MCULE-4862914252	292.761	IZEOEZPKRCXIQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053705
COc1cc(Cn2nc(O)c3C(C)CCc23)ccc1Cl	MCULE-4589305985,EMOLS-id_330957556	292.761	ZQGKGJGKFKDTON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053706
CC(c1nnc2n1CCC2)NCc1cccc(c1O)Cl	PC-id_115951535	292.764	OEUZULHJYBTMDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053707
CCn1cc(cc1C(=O)NC1CC(n2c1ncc2)C)Cl	EMOLS-id_318676440	292.764	KHHQPHYSQIDBJQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-053708
CCn1cc(cc1C(=O)Nc1n(C)nc2c1CCC2)Cl	EMOLS-id_318696189	292.764	ARVPDTLIZXHPHL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-053709
CCn1cc(cc1C(=O)NCc1cnc2n1CCC2)Cl	MCULE-7307858826,EMOLS-id_319850879	292.764	UVNBMBWBTXYJDF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-053710
CCn1cc(cc1C(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_319504168	292.764	IBUMMWGSBZKKPE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-053711
CCOc1ccc(c(c1)NC1CC(n2c1ncn2)C)Cl	MCULE-3319904594,EMOLS-id_318503897	292.764	ZIYSFNDIGURAFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053712
CCOc1cc(Cl)ccc1NC1CC(n2c1ncn2)C	EMOLS-id_318654529,MCULE-5701450030	292.764	ZMAFTWSLEXVLBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053713
Clc1cc(CNC(c2n3CCCc3nn2)C)ccc1O	PC-id_61681515	292.764	GARBKULQGLWCQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053714
Clc1cc(CNC(c2n3CCCc3nn2)C)c(O)cc1	PC-id_43748167	292.764	HUYRDJXSMSYOFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053715
Clc1c(CNC(c2n3CCCc3nn2)C)c(O)ccc1	PC-id_78959258	292.764	VFDNEJNHKPCRPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053716
Clc1cn(c(c1)CN(C(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_318444327	292.764	DKUGRQRHHOJCLX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-053717
CN(Cc1nnc2n1CCC2)Cc1cccc(c1Cl)O	EMOLS-id_318757918	292.764	JABKICNQHXVZQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053718
COc1cccc(c1CNC1CC(n2c1ncn2)C)Cl	EMOLS-id_258183828,MCULE-6722859037	292.764	YOCKNGUTCUEXPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053719
COc1cc(Cl)ccc1CNC1CC(n2c1ncn2)C	MCULE-2621702633,EMOLS-id_318728633	292.764	UQIUFBDUGYPLJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053720
COc1cc(Cl)c(cc1NC1CC(n2c1ncn2)C)C	EMOLS-id_318513610,MCULE-6595764021	292.764	SUXLJVQUKMMERP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053721
CC(c1nnc2n1CCC2)Nc1nnc(c(c1C)C)Cl	MCULE-9280747248,EMOLS-id_318521895	292.767	BWDKOPWJJOWDIM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053722
CC(C(c1nnc2n1CCC2)Nc1ncc(cn1)Cl)C	MCULE-8595650642,EMOLS-id_48260843,PC-id_75380618	292.767	JGGDCQQZAIZTGG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053723
CC(C)[C@H](Nc1ncc(Cl)cn1)c1nnc2n1CCC2	PC-id_97226221,ZINC22_95415002	292.767	JGGDCQQZAIZTGG-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-053724
CC(C)[C@@H](Nc1ncc(Cl)cn1)c1nnc2n1CCC2	PC-id_97226222,ZINC22_95415003	292.767	JGGDCQQZAIZTGG-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053725
CC1CCc2c1c(CCl)nn2Cc1cc(C)ccc1F	EMOLS-id_331025672,MCULE-3976008420	292.779	GSGQBAIEJMLZGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053726
CC1CCc2c1c(CCl)nn2Cc1ccc(C)cc1F	MCULE-5180072106,EMOLS-id_331023368	292.779	CLQYSFSUKXIXJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053727
CC1CCc2c1c(CCl)nn2Cc1cccc(C)c1F	MCULE-7128214169,EMOLS-id_331025928	292.779	PTWFKXAFLOUCQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053728
CC1CCc2c1c(CCl)nn2Cc1ccc(C)c(F)c1	MCULE-3812746390,EMOLS-id_331023112	292.779	AADNUIZKOCNUAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053729
CC1CCc2c1c(CCl)nn2Cc1cccc(F)c1C	MCULE-8762341667,EMOLS-id_331024137	292.779	BTXKMJSNKCUIPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053730
CC1CCc2c1c(CCl)nn2Cc1ccc(F)cc1C	EMOLS-id_331023880,MCULE-4946769907	292.779	STMPPIJNXGIITH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053731
CC1CCc2c1c(CCl)nn2Cc1ccc(F)c(C)c1	MCULE-6700709811,EMOLS-id_331023624	292.779	RVZWZYAGTALQOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053732
CC1CCc2c1c(CCl)nn2Cc1cc(F)ccc1C	MCULE-2515501375,EMOLS-id_331024393	292.779	NPJRNMRHZJTUHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053733
CC1CCc2nn(Cc3cc(C)ccc3F)c(CCl)c12	EMOLS-id_331009714,MCULE-6861452363	292.779	MWJISWGNGMYMMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053734
CC1CCc2nn(Cc3cccc(C)c3F)c(CCl)c12	EMOLS-id_331009970,MCULE-4808452890	292.779	CCUMWNFXFFGMQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053735
CC1CCc2nn(Cc3ccc(C)cc3F)c(CCl)c12	MCULE-7709832734,EMOLS-id_331007410	292.779	RTRYRDWWKCLFOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053736
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(CCl)c12	MCULE-9762785430,EMOLS-id_331007154	292.779	IJNUDTPYZUISSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053737
CC1CCc2nn(Cc3cccc(F)c3C)c(CCl)c12	EMOLS-id_331008179,MCULE-1439701356	292.779	IPHIZBVOOVWCRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053738
CC1CCc2nn(Cc3ccc(F)cc3C)c(CCl)c12	MCULE-7656359092,EMOLS-id_331007922	292.779	UGMJGBGSNBQQIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053739
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(CCl)c12	MCULE-8700917802,EMOLS-id_331007666	292.779	ZGTSFTYWVMBCNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053740
CC1CCc2nn(Cc3cc(F)ccc3C)c(CCl)c12	MCULE-8553405417,EMOLS-id_331008435	292.779	LXASMJNKZKRKGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053741
CC(c1ccccc1F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008703,MCULE-6511313874	292.779	UARMSVOWLQKJAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053742
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1Cl	MCULE-5461784047,EMOLS-id_330958264	292.779	GFARZYIKKCLWJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053743
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1Cl	MCULE-5677421385,EMOLS-id_330959029	292.779	UZTULSDMXHUCNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053744
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1Cl	MCULE-6328408276,EMOLS-id_330958776	292.779	URUZIJOOTPSLRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053745
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1Cl	MCULE-8397578155,EMOLS-id_330959289	292.779	NFLSDWKCEFNWNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053746
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958520,MCULE-4562895634	292.779	QPAHCLZHFMTMGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053747
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958773,MCULE-4512006623	292.779	GYMCBIOTCCYUEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053748
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1Cl	MCULE-7555895166,EMOLS-id_330959287	292.779	NKSJFJWQMGMXDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053749
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007933,MCULE-5796442252	292.779	XLGKVXVNLRVUAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053750
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1Cl	MCULE-5786411944,EMOLS-id_330959543	292.779	JFBXKDCVAXTXFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053751
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330959033,MCULE-5201798278	292.779	IHTMGZZVXIJPIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053752
Clc1cc(C(=O)c2sc3CCCc3c2)ccc1OC	PC-id_43463341	292.781	NMCPINCEAWAUJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053753
Clc1c(C(=O)c2sc3CCCc3c2)ccc(OC)c1	PC-id_43561631	292.781	ZVHDDAVTAZNAGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053754
COc1cc(ccc1Cl)C(=O)c1sc2c(c1)CCC2	PC-id_115781854	292.781	JLEOIFJYKLHVRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053755
COc1ccc(cc1C(=O)c1sc2c(c1)CCC2)Cl	PC-id_104544963	292.781	MMMCKBOVXWTZHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053756
c1(c2CCCc2sc1N)C(=O)Nc1ccccc1Cl	EMOLS-id_1990214,CK1350357,CoCoCo_1797028,GD-id_ZINC00432428,PC-id_867750,MCULE-2511510308,CT-id_2203333,ZINC22_432428,TIMTEC154472,ChEMBL-DNDi_CHEMBL5667848	292.784	FRZQRVULHPCQBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053757
c1(c2CCCc2sc1N)C(=O)Nc1ccc(cc1)Cl	MCULE-9783724832,SCHEMBL20340287,PC-id_722804,EMOLS-id_1280360,ZINC22_127204,CoCoCo_138024,CK1612069	292.784	JVHLUOYATQMKSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053758
c1(c2CCCc2sc1N)C(=O)Nc1cccc(Cl)c1	ZINC22_268665,PC-id_3119680,EMOLS-id_2757260,MCULE-4471993441,CoCoCo_677491,TIMTEC447200	292.784	SGOMXHAVANLACI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053759
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-3198573870,PC-id_4170509,EMOLS-id_181473031	292.784	OFSAZAYFCKVRPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053760
Cc1c(c2c(s1)CCC2)C(=O)Nc1cnc(cc1)Cl	PC-id_135200359,SCHEMBL20353941	292.784	NWCDIVKDLFZOGE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053761
Cc1ccc(c(n1)Cl)C(=O)NC1Cc2c(C1)ccs2	PC-id_21955877,SCHEMBL2454980	292.784	MIKMHTFJGHIIHV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053762
Cc1cnc(c(c1)NC(=O)c1sc2c(c1)CCC2)Cl	PC-id_113760423	292.784	WGFMTZYOSWNHBE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053763
ClC1c2[nH]c(NCC(=O)c3ccccc3)cc2SC1	PC-id_9814604	292.784	RDYVQNRQPLQCGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053764
Clc1ccccc1CC(=O)Nc1nc2CCCc2s1	ZINC22_15636606,PC-id_26723174,MCULE-9587599494,EMOLS-id_43971874	292.784	NJKPPLLQGHUFGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053765
Clc1ccc(c(n1)C)NC(=O)c1sc2c(c1)CCC2	PC-id_113943345	292.784	FUDQLZAXLIMLCG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053766
Clc1cc(ncc1)C(=O)NCc1sc2CCCc2c1	PC-id_61216000	292.784	QSDATGCZHQCHOF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053767
Clc1cc(N)c(NC(=O)c2sc3CCCc3c2)cc1	PC-id_20119206	292.784	SQSSUZVRZQVOIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053768
Clc1cc(NC(=O)c2sc3CCCc3c2)ccc1N	PC-id_82861568	292.784	RSSJQGIEZAPQOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053769
Clc1cc(NC(=O)c2sc3CCCc3c2)c(N)cc1	PC-id_20117591	292.784	ZMSMBBNDWZDOFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053770
Clc1c(C(=O)NCc2sc3CCCc3c2)ccnc1	PC-id_66484520	292.784	XAMKUJDDCGWECU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053771
Clc1c(C(=O)NCc2sc3CCCc3c2)cncc1	PC-id_81226884	292.784	QTBPGBOALHQADD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053772
Clc1c(N)cc(NC(=O)c2sc3CCCc3c2)cc1	PC-id_20118336	292.784	MYHXLMZMPUMJIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053773
Clc1c(NC(=O)c2sc3CCCc3c2)ccc(N)c1	PC-id_20112652	292.784	HMRYZFLDIXJMLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053774
Clc1c(NC(=O)c2sc3CCCc3c2)cc(N)cc1	PC-id_43548802	292.784	SKIZYGBOBBEXQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053775
Clc1c(NC(=O)c2sc3CCCc3c2)c(N)ccc1	PC-id_62083730	292.784	POWFGGZCEWDMMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053776
Clc1ncccc1C(=O)NCc1sc2CCCc2c1	PC-id_61215660	292.784	GBDGFYIFUXICPS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053777
Clc1nccc(C(=O)NCc2sc3CCCc3c2)c1	PC-id_61215659	292.784	CPYBLPRVEMBVOG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053778
Clc1ncc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61215827	292.784	AERYDKUXVHEOML-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053779
Clc1nc(C(=O)NCc2sc3CCCc3c2)ccc1	PC-id_62235117	292.784	OFZVPNUWZRZEFG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053780
Clc1sc2CCC(Nc3ccc(cc3)C(=O)N)c2c1	PC-id_81251706	292.784	JUGISRPETXSTFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053781
Clc1sc2CCC(Nc3cc(ccc3)C(=O)N)c2c1	PC-id_81252377	292.784	RBNFMPMYYMFHNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053782
ClCc1ccc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_61508621	292.784	RQEPSFJZWXWYEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053783
ClCc1cc(C(=O)Nc2sc3CCCc3n2)ccc1	PC-id_61508658	292.784	QNXYGMSLAZULSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053784
ClC(C(=O)Nc1sc2CCCc2n1)c1ccccc1	PC-id_61508620	292.784	CCGIGOFECJAFLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053785
O=C(c1sc2c(c1)CCC2)Nc1c(C)ccnc1Cl	PC-id_108190646	292.784	WXZFVKQXEDHRNM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053786
O=C(c1sc2c(c1)CCC2)Nc1cnc(c(c1)C)Cl	PC-id_103745310	292.784	XKTOXOFEOYGWRZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053787
ClCCCS(=O)(=O)N(Cc1n2CCCc2nn1)C	EMOLS-id_315201695,PC-id_54877201	292.786	BMUDZTIHCDGGAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053788
ClCCCS(=O)(=O)NC(c1n2CCCc2nn1)C	PC-id_54877169,EMOLS-id_315205008	292.786	OWAOCYUHAGKMOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053789
Cc1ccc(c(c1)Cl)CC(c1sc2c(c1)CCC2)O	PC-id_106868170	292.824	XWPXPQSZHWHVPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053790
Clc1cc(C)c(cc1C(c1sc2c(c1)CCC2)O)C	PC-id_115484449	292.824	MLYSDBNPQWRJOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053791
Clc1c(cc(C(O)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64213503	292.824	MZCAMEQULCGDOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053792
ClC(c1sc2c(CCC2)c1)c1c(cc(OC)cc1)C	PC-id_55200219	292.824	WWKLECDEBLKJST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053793
ClC(c1sc2c(CCC2)c1)c1cc(c(OC)cc1)C	PC-id_63434701	292.824	RKVQEQCRLLSRBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053794
ClC(c1sc2c(CCC2)c1)c1ccc(OCC)cc1	PC-id_63428613	292.824	NUSBZXSRRQDZAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053795
ClC(c1sc2c(CCC2)c1)c1c(OC)ccc(c1)C	PC-id_63435252	292.824	WMAQLAFPERHBPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053796
ClC(c1sc2c(CCC2)c1)Cc1ccc(OC)cc1	PC-id_63520431	292.824	MQWXCRRVKXKAAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053797
ClC(c1sc2c(CCC2)c1)Cc1cc(OC)ccc1	PC-id_63543173	292.824	KPXNRSSDCAZMLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053798
ClC(c1sc2c(CCC2)c1)Cc1c(OC)cccc1	PC-id_55224448	292.824	VTERVAHOKUEGHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053799
Clc1ccc(cc1)CC(c1sc2c(n1)CCC2)(N)C	PC-id_105545883	292.827	RGVWIULSIPCMPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053800
Clc1ccc(C(NCC)c2sc3CCCc3n2)cc1	PC-id_61332024	292.827	RWLSWYMEZQKVAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053801
Clc1cc(C(NCC)c2sc3CCCc3n2)ccc1	PC-id_61332201	292.827	PFSWVBCMQPSGDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053802
Clc1c(C(NCC)c2sc3CCCc3n2)cccc1	PC-id_61332384	292.827	MVAMMNJHNUIJNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053803
Clc1sc2CCC(Nc3ccc(N(C)C)cc3)c2c1	PC-id_81252480	292.827	RAHWJESEIRFDHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053804
Clc1sc2CCC(Nc3c(N(C)C)cccc3)c2c1	PC-id_81251413	292.827	KYLHKIFQJHBEGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053805
Clc1sc2c(C(NCc3ncccc3CC)CC2)c1	PC-id_82733659	292.827	DSUYXAZJYSNLEJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053806
CNC(c1ccc(cc1C)Cl)c1sc2c(n1)CCC2	PC-id_108386570	292.827	UIFFNZAXIDTLJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053807
CNC(c1ccc(c(c1)Cl)C)c1sc2c(n1)CCC2	PC-id_106818052	292.827	SXOOIOXOSAUHDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053808
CNC(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_112655561	292.827	OJWSAHJAQGHCDZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053809
NC(c1ccc(c(c1)C)Cl)Cc1sc2c(n1)CCC2	PC-id_112457136	292.827	GQEYJTOBZKKBDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053810
NNC(c1ccc(c(c1)Cl)C)c1sc2c(c1)CCC2	PC-id_107562557	292.827	RSEZXUHZYLIDBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053811
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1)Cl	PC-id_105283431	292.827	XHHILNVKEPQDSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053812
NNC(c1sc2c(c1)CCC2)Cc1ccccc1Cl	PC-id_105286540	292.827	IYCWQIKEUSEHFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053813
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)Cl	PC-id_113699129	292.827	FXNWRDIGGZRVGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053814
CC1=CC2=C(S1)C(=O)N(C2=O)I	PC-id_163683997	292.901	JNFNRUAGSQJEMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053815
c12c(I)cnn1CCN2CC(=O)O	MCULE-9596016300,EMOLS-id_323991953	293.062	RCJGZRBJSZEDAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053816
CCOC(=O)N1CC2=C(ON=C2C1)NC(=O)C(F)(F)F	PC-id_161950931	293.062	YLUCJLRINZTFPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053817
CC1=CSC=C1NC(=O)NCC2=NC3=C(S2)CCC3	MCULE-9959063961,EMOLS-id_317728964,PC-id_154785265	293.066	YZACQENFJHSJCY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-053818
C1CC2=C(C(=C(N2C1)C(=O)CC3=CC(=NC=C3)F)Cl)N	PC-id_162017123	293.073	BHWJYKWXGYHBFI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-053819
CN1C(=O)c2c(C1=O)c(sc2)I	SCHEMBL18517121	293.082	GBPHXCIWDUXRTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053820
C1CN2C(=CC=C2C(=O)C3C=CC=CC3(F)F)C1C(=O)O	PC-id_149251923	293.086	UHHBSONPVUDKHY-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-053821
C1CN2C(=CC=C2C(=O)C3=CCC(C=C3)(F)F)C1C(=O)O	PC-id_149252572	293.086	ZVIOECIDZBVKQD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-053822
CC1=C(NN=C1)SN2C=C3CN(CC3=N2)C(=O)CCO	PC-id_164872228	293.095	QQXVZMMXQNZMGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053823
COCCN1Cc2c(C1)c(n[nH]2)I	SCHEMBL17234790,PC-id_118493352	293.105	SJQSFDZINHKYQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053824
C=CC1=NN2CCN(C2=C1)CC3=CC(=CC=C3)C(F)(F)F	PC-id_149710705	293.114	AVBJCJSZHSAMHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053825
Brc1cnc(nc1)Nc1cn2c(c1)C(=O)CC2	SCHEMBL18421528	293.119	UGVREVNHGJYQLL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053826
C1Cn2c(c(nn2)C(=O)c2ccc(cc2)Br)N1	PC-id_136731590	293.119	YCGFQKSPUSYOBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053827
CC(=C(C=C)SN1C=C2CN(CC2=N1)C(=O)CCO)C	PC-id_164872207	293.12	KYEJJQHPKVPREH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053828
c12CN(Cc1sc(I)c2C=O)C	EMOLS-id_331064106,MCULE-4073128530	293.125	WOPLEVSZYCSOBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053829
c1(C(=O)N)c2CCCc2sc1I	EMOLS-id_331061800,MCULE-3345655932	293.125	ZDXVEBJTRJKTOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053830
c1(C(=O)N)c(I)c2c(CCC2)s1	EMOLS-id_330873664,MCULE-3536645644	293.125	MGEXSJCXKNOEMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053831
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3CCCO3)C	PC-id_160790719	293.126	SBUGFZYOMBCIJU-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-053832
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)[C@@H]3CCCO3)C	PC-id_154267389	293.126	SBUGFZYOMBCIJU-QMMMGPOBSA-M	00000010100000000001000010000000000000000000000000000000	25-01-053833
CCOC(=O)C1=C2CCCN2C(=C1C)C(=O)C(=O)OCC	PC-id_154663327,EMOLS-id_324190283	293.126	VJNATGMNGNVRPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053834
c12CSCc1sc(C#N)c2I	EMOLS-id_330871364,MCULE-5456247671	293.148	DEAZHNQRLPAIGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053835
c1(C#N)c2CSCc2sc1I	EMOLS-id_331063084,MCULE-2490031145	293.148	SKOZDMABXCGOSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053836
CC(=C1C(=CC(=N1)C2=CC=CN2)OC)C3=C4CCCC4=CN3	PC-id_152779891	293.153	HRDHMKKHHBOXEV-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-053837
Brc1ccc(cc1)Cn1nc2c(c1O)CCC2	EMOLS-id_314409204	293.159	UTRHLNXFBLRWBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053838
Brc1cccc(c1)Cn1nc2c(c1O)CCC2	EMOLS-id_314413044	293.159	NQPIYTFORSUNDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053839
Brc1ccccc1Cn1nc2c(c1O)CCC2	EMOLS-id_314875686	293.159	DMLINQXRCBJREK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053840
Brc1ccc(Cn2[nH]c3c(CCC3)c2=O)cc1	PC-id_66022556	293.159	CVXICSCYIZPXQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053841
Brc1cc(Cn2[nH]c3c(CCC3)c2=O)ccc1	PC-id_66020500	293.159	VRRZVJHEXALZGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053842
Brc1c(Cn2[nH]c3c(CCC3)c2=O)cccc1	PC-id_66021529	293.159	JVEAPDIAYKULFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053843
Brc1cccnc1CNC1CCn2c1ncc2	EMOLS-id_318381144,MCULE-7897005364	293.162	QIQXHTOFTJBQNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053844
Brc1cccnc1NC1CC(n2c1ncc2)C	EMOLS-id_318336611,MCULE-5298400623	293.162	JXZJKAGOQPMIQW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053845
Brc1ccc(nc1)NCc1cnc2n1CCC2	EMOLS-id_318293608	293.162	WAVJUFPITWIZRW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053846
Brc1ccc(/N=c/n3n(CCC3)c(n2)C)cc1	PC-id_21783733	293.162	UOWBHWQAWHXRLF-NTCAYCPXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053847
Brc1ccnc(c1)NCc1cnc2n1CCC2	EMOLS-id_318475957	293.162	UDYMVHWJGQEQPK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053848
Brc1cncc(c1)NC1CC(n2c1ncc2)C	MCULE-9702907346,EMOLS-id_317969512	293.162	UCGGJMPDPNXFRS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053849
Brc1cncc(c1)NCc1cnc2n1CCC2	EMOLS-id_317922982	293.162	VDYTZOCKRLEYLL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053850
C=C/C=CC(=C/C=C)N1CCn2c1nc(n2)Br	PC-id_139365299,SCHEMBL21217175	293.162	SVMYLNUPZOJYAT-ZPRNNRRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053851
CC1=C2CCC(C2=NN1COCC[Si](C)(C)C)N=[N+]=[N-]	PC-id_153453442	293.167	AASOZZJZAWESKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053852
CC1=C2CC[C@H](C2=NN1COCC[Si](C)(C)C)N=[N+]=[N-]	PC-id_153453435	293.167	AASOZZJZAWESKC-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053853
c12CCCc1sc(CNC)c2I	MCULE-6241727924,EMOLS-id_330873920	293.168	MLVNKLSFIPETMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053854
c1(CNC)c2CCCc2sc1I	MCULE-2366923481,EMOLS-id_331062056	293.168	WMFXCGZWYSPIOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053855
CC(C1CCc2c1nc(s2)I)C	SCHEMBL12862915,PC-id_58125099	293.168	HGNLVBHNPDYBKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053856
CC(C1=C(SC2=C1CCC2)[NH+]=CN)OC3CCCCC3	PC-id_163560555	293.168	FQWCTBGVMDFDOR-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-053857
Brc1c2CS(=O)(=O)Cc2oc1C(C)(C)C	PC-id_84815080	293.177	JBAPXCRLSJNIRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053858
Brc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_105527503	293.181	UEJKIQSGMHKCPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053859
Brc1nn(c2c1CS(=O)(=O)C2)C(C)(C)C	PC-id_105527498	293.181	SKCUTLLYJJHFDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053860
CC(Cn1nc2c(c1Br)CS(=O)(=O)C2)C	PC-id_105527504	293.181	RTVAUORWTNVZFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053861
CC(Cn1nc(c2c1CS(=O)(=O)C2)Br)C	PC-id_105527499	293.181	MWVZXLZYFGILMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053862
CCCCCCCCCC(c1sc2c(c1)CCC2)NC	PC-id_115831226	293.51	WKSIAVGDJGZJCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054391
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)O)C(=O)OC	MCULE-3613240072,EMOLS-id_324342632	293.199	HVJUGYRHJSHBIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053863
c1(C(=O)OCC)c2CSCc2sc1Br	MCULE-4817718259,EMOLS-id_331060011	293.201	JYVBHVOCHGAOHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053864
c1(C(=O)OCC)sc2CSCc2c1Br	MCULE-8456629810,EMOLS-id_330873922	293.201	KQOBSJGFWNCQJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053865
CCCCCC1CC(C2=C1N=C(S2)C(C)(C)CC)(C)C	PC-id_148494187	293.218	MJIKNOFUEADIAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053866
BrC(c1sc2c(CCC2)c1)c1ccccc1	PC-id_63437469	293.222	GVOVOMYJVDPADQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053867
CC1(CN(CCO1)CCN(C)CC2CCC3=NC=NN23)C	PC-id_154769149,EMOLS-id_317351176,MCULE-3619454814	293.222	IDWUWRAVQUDBFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053868
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(c(F)c1)F	MCULE-9313148243,STOCK6S-66421,PC-id_135649893,EMOLS-id_24574673	293.229	MJMQHCJFACHGKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053869
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(F)c(F)c1	ZINC22_20715799,PC-id_135901700	293.229	MJMQHCJFACHGKP-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053870
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(F)c(F)c1	ZINC22_20715802,PC-id_135901701	293.229	MJMQHCJFACHGKP-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-053871
c12CN(Cc1nn(CC(F)(F)F)c2CO)C(=O)OCC	MCULE-4755715509,EMOLS-id_324348267	293.242	UVTMGBPLJZLOKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053872
Fc1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL14801643,PC-id_54771049	293.25	JFMHOCLDWOVXTP-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053873
Fc1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL14801644,PC-id_76193922	293.25	JFMHOCLDWOVXTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053874
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C(=O)OC	SPECS-id_AN-329/11663682,MCULE-4645835652,BAS-00675456,ZINC22_4157061,CoCoCo_116404,PC-id_606134,SPECS-id_AN-153/I120921,EMOLS-id_1260438,SPECS-id_AT-084/J158419,TIMTEC553658	293.262	XPJCIGIWSKXICA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053875
s1c2c(CCC2)c(c1NC(=O)CC(F)(F)F)C(=O)O	PC-id_43145449	293.262	USJOHYDCEGOZSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053876
COc1c(cc(cc1F)F)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_318764788	293.269	SCKMPBCSSGPPAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053877
COc1c(cc(cc1F)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_318556894	293.269	NNAQLYDWYUWPHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053878
COc1c(cc(cc1F)F)NC(=O)c1cnn2c1CCC2	EMOLS-id_318805529	293.269	WJLAFGAYHXTQSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053879
COc1cc(F)c(cc1F)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_318383030	293.269	AEPHWKJVTFXEMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053880
COc1cc(F)c(cc1F)NC(=O)c1cnc2n1CCC2	EMOLS-id_318550653	293.269	FLAWLSZYYWQRIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053881
COc1cc(F)c(cc1F)NC(=O)c1cnn2c1CCC2	EMOLS-id_318543807	293.269	MDUZUFIECFBRGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053882
COc1cc(F)c(cc1NC(=O)c1cc2n(n1)CCC2)F	EMOLS-id_318582397	293.269	JQQUKQSUJMZQGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053883
COc1cc(F)c(cc1NC(=O)c1cnc2n1CCC2)F	EMOLS-id_318615696	293.269	PIKMMYSGRDENNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053884
COc1cc(F)c(cc1NC(=O)c1cnn2c1CCC2)F	EMOLS-id_318671583	293.269	CPYHVTZMRNUOOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053885
COc1c(F)cc(cc1F)NC(=O)c1cnc2n1CCC2	EMOLS-id_318669258	293.269	BQGSCGDTFVTJHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053886
COc1c(F)cc(cc1F)NC(=O)c1cnn2c1CCC2	EMOLS-id_318563078	293.269	AHRPPWUCFNUUSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053887
COc1c(F)cc(cc1F)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318574315	293.269	GOMAPLFJYKXUAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053888
O=C(c1ccc(c(c1F)F)O)NC1CC(n2c1ncc2)C	EMOLS-id_319858175,MCULE-4551599200	293.269	JVRDUTRRXTVTGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053889
O=C(c1ccc(c(c1F)O)F)NC1CC(n2c1ncc2)C	EMOLS-id_318856185	293.269	PEULMZXULYAECV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053890
O=C(c1ccc(c(c1F)O)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318863196	293.269	NJIGTEUZNPYWJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053891
O=C(c1ccc(c(c1F)O)F)NCc1cnc2n1CCC2	EMOLS-id_319072365	293.269	BZVVVFTXXGZFGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053892
O=C(c1ccc(c(c1F)O)F)NCc1nn2c(c1)CCC2	EMOLS-id_319608632	293.269	DZYAVAPCPFGGKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053893
O=C(c1cc(F)c(c(c1)F)O)NCc1cnc2n1CCC2	MCULE-6810413635,EMOLS-id_320158682	293.269	VGHUNVKZBCPHDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053894
O=C(c1cc(F)c(c(c1)F)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319709404	293.269	WQOIRUGIEFYRTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053895
O=C(c1c(F)ccc(c1F)O)NCc1cnc2n1CCC2	EMOLS-id_319436461	293.269	MXCDDBJDVCZAES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053896
O=C(c1nn2c(c1)OCC2)Nc1ccccc1C(F)(F)C	EMOLS-id_318755135	293.269	YJHIBTQMNQNRKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053897
Cc1cc(cnc1C(F)F)NC(=O)N1CCn2c1ncc2	EMOLS-id_316965537,PC-id_136564494,MCULE-2380596998	293.272	SDKJOWZHJMBRRO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053898
CC(c1nnc2n1CCC2)NC(=O)c1ccnc(c1F)F	PC-id_105380642	293.272	UOIMEKQSOABVIB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053899
CCOC(=O)c1c2CC=Cn2c(c1C(=O)OC)C(=O)OC	PC-id_101107637	293.272	WLCUOLADAGSKRY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-053900
CN(C(=O)c1ccnc(c1F)F)Cc1nnc2n1CCC2	PC-id_105380773	293.272	CQTIXVZSWMZHIV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053901
Fc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1F	PC-id_60446097	293.272	LFIYCAUQJYOTIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053902
O=C(c1ccnn1C1CC1(F)F)N1Cc2c(C1)cnn2C	EMOLS-id_320066750,MCULE-3341500371	293.272	WQLXDGLGNKSBQK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-053903
O=C(c1ccnn1C1CC1(F)F)NC1CCn2c1cnc2	EMOLS-id_319657027	293.272	OMHCCHGSTOKOHD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-053904
O=C(c1ccn(n1)C1CC1(F)F)NC1CCn2c1cnc2	MCULE-6214778403,EMOLS-id_320055963	293.272	NRSBNRWQKQYLAR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-053905
O=C(c1ccnn1C1CC1(F)F)NC1CCn2c1ncc2	EMOLS-id_319066509	293.272	MVQJQQFIWIVEJP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-053906
O=C(c1ncnc(c1)C(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_320214244,MCULE-3189692393	293.272	CVSVWBOQCOAOCK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053907
O=C(c1ncnc(c1)C(F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_319917691,MCULE-9041958409	293.272	RADPQXRHTPSICJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053908
O=C(c1ncnc(c1)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_318917856	293.272	RZQXNRRVFXDGRD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-053909
O=C(NCc1nnc2n1CCC2)Nc1ccc(F)cc1F	EMOLS-id_36626385,PC-id_46457503,ZINC22_10464428,MCULE-9933097081	293.272	SCLGRLVSQNHQKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053910
O=C(NCc1nnc2n1CCC2)Nc1cc(F)ccc1F	MCULE-4426604590,ZINC22_43236000,PC-id_52187548,EMOLS-id_36633568	293.272	JOHYLAVEPFNEGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053911
O=C(NCc1nnc2n1CCC2)Nc1cc(F)cc(F)c1	MCULE-1703610134,EMOLS-id_36633796,PC-id_52195658,ZINC22_43881494	293.272	DQTIJZSOVCVMQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053912
o1c(C(=O)N(C2=Nn3c(nnc3)C2)c2ccccc2)ccc1	SCHEMBL4551046,PC-id_69088146	293.28	SRJCXUMCFZHFGC-UHFFFAOYSA-N	00000011101000110001000010000000000000000000000000000000	25-01-053913
CCn1nnnc1CCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69480046,SCHEMBL5538146	293.282	RKZZGEWVYQYDMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053914
CCc1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324842216	293.292	FFTFLNRHKLFXBO-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-053915
CCc1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324841704	293.292	DEWRFLNJZFFWSP-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-053916
CCc1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324843757	293.292	TUBNXOSBNLBMNF-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-053917
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)CC	MCULE-9083291315	293.292	FFTFLNRHKLFXBO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-053918
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)CC	MCULE-2065065922	293.292	DEWRFLNJZFFWSP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-053919
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CC	MCULE-4674957593	293.292	TUBNXOSBNLBMNF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-053920
COC(=O)C1N(Cc2c1c[nH]n2)C(=O)C(=C(C1CC1)C)F	MCULE-1158199990,EMOLS-id_317057567	293.294	OZTDAHXZDYCMSQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053921
COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)/C(=C(C)/C1CC1)/F	ZINC22_1775987283	293.294	OZTDAHXZDYCMSQ-RDQDRAATSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053922
COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)/C(=C(C)/C1CC1)/F	ZINC22_1775987284	293.294	OZTDAHXZDYCMSQ-SEVUFMINSA-N	00100010100000000001000010000000000000000000000000000000	25-01-053923
s1c2c(N(CC2=O)C=C2C(=O)OC(OC2=O)(C)C)cc1	PC-id_44133439	293.295	GDUPTDOFZMUKQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053924
Cc1nccn1CCCNC(=O)c1nn2CCOc2c1F	PC-id_91960063	293.297	KXVFJQFYHVJNNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053925
s1c2c(CCC2)c(c1NC(=O)c1nc(on1)C)C(=O)O	PC-id_64341342	293.298	JIYRENRWTRMAGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053926
C[n+]1ccn(c1)CCNc1n2CCCn2c(=O)c1[N+](=O)[O-]	SCHEMBL13746202,PC-id_89160308	293.302	UBMIMKYMIVXWLR-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-053927
s1c2c(CCC2)c(c1NC(=O)c1n[nH]nn1)C(=O)OC	PC-id_80374057	293.302	XOUOKDAMXODSTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053928
s1c2CCCc2nc1NC(=O)c1nnn(c1)CC(=O)O	PC-id_66287929	293.302	AJYSCOSYZMGFPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053929
s1c2CCCc2nc1NC(=O)Cn1nnc(c1)C(=O)O	PC-id_66290780	293.302	AKZCJJUPCPNAFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053930
CCOC(=O)C1CCc2c1nc(s2)CCC(F)(F)F	PC-id_104287113	293.305	JLNLSCBIKMQWAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053931
OCCN(C(=O)c1sc2c(c1)CCC2)CC(F)(F)F	PC-id_103857558	293.305	PLZDQIJSCFXCNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053932
OC(=O)C(C(F)(F)F)CNCc1sc2c(c1)CCC2	PC-id_103242951	293.305	RNFXXFVLGGIMHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053933
CC1(C)CCc2sc(NC(=O)NCC(F)(F)F)nc12	EMOLS-id_316883345,PC-id_136548408,ZINC22_331473147,MCULE-9173802446	293.309	WJMJBYZWPNQAAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053934
OC(S1C(=Nc2n1cnc2)C(F)(F)F)C1CCCC1	SCHEMBL20743874	293.309	KBLRUBJKZQDTNR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-053935
c12CN(Cc1nn(CC(F)F)c2CO)Cc1ccccc1	MCULE-4133086097,EMOLS-id_324348524	293.312	DRYQNBONELKDCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053936
CCOCc1n[nH]c2c1CN(Cc1ccc(F)c(F)c1)C2	EMOLS-id_313726930,ZINC22_2055713546	293.312	CYIAEMZIJWLOIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053937
COc1c(cc(cc1F)F)NC(c1cc2n(n1)CCC2)C	MCULE-6975795209,EMOLS-id_318677184	293.312	SYCLFGMOAJGRFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053938
COc1cc(F)c(Cn2nc3CCC(C)c3c2N)c(F)c1	MCULE-3978971305,EMOLS-id_331013027	293.312	GHLXQDSHEHEZDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053939
COc1cc(F)c(Cn2nc(N)c3C(C)CCc23)c(F)c1	EMOLS-id_330963958,MCULE-3532693196	293.312	SRODNZJYZMCEDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053940
FC(Oc1cc(ccc1C)NC1CC(n2c1ncc2)C)F	EMOLS-id_318286467,MCULE-6810473082	293.312	QJBKHIHZZDIYOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053941
COC1CC(C1)(C(=O)O)N(C(=O)c1occ2c1CCC2)C	EMOLS-id_320264068,MCULE-5043079427	293.315	FOIHIQOBOKUZFV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-053942
COC(=O)c1cc2c(n1C(=O)OC(C)(C)C)CC(C2=O)C	SCHEMBL1004859,PC-id_59180072	293.315	PYUDMPNJJFEYHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053943
COC(=O)C(C1CC(=O)c2c1c[nH]c2)C(=O)OC(C)(C)C	PC-id_101561824	293.315	WSFBUACFMDFRGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053944
OC(=O)C(=O)c1c(C)c(c2n1CCC2)C(=O)OC(C)(C)C	PC-id_139434834,SCHEMBL21296661	293.315	YPQSYLPSHGXBQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053945
C#Cc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_20253965,SCHEMBL10817451	293.317	LASSTTSMZIKTML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053946
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C#C	SCHEMBL10815232,PC-id_13487007	293.317	OIKSWOOGCOAMAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053947
s1c2CCCc2nc1Nc1cc(c(N)cc1F)C(=O)O	PC-id_61991540	293.317	YFRGOTWBBFMPHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053948
s1c2CCCc2nc1Nc1c(c(N)c(F)cc1)C(=O)O	PC-id_83215350	293.317	RPJHLDAKSFWUOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053949
S1Cc2c(noc2NC(=O)NCc2ccc(F)cc2)C1	PC-id_49720625	293.317	RBWGSEPZNQOLAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053950
c12CN(Cc1nn(CC1CCCC1)c2C(=O)O)C(=O)OC	MCULE-9999942003,EMOLS-id_324345447	293.318	YHVDPOJELCBHFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053951
Cc1c2n(CCO2)nc1C(=O)N1CCC(CC1)C(=O)OC	PC-id_91959985	293.318	UZFPMTRNOMPZRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053952
CCOC(=O)C1CCCN(C1)C(=O)c1nn2CCOc2c1	PC-id_91959886	293.318	RWIDPXGOWUENBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053953
CCOC(=O)C1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959869	293.318	XALWTKPIQVGCTF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053954
CN1CCN(CC1)C(=O)COC(=O)C1Cc2c(N1)cco2	PC-id_91148402	293.318	NWCMQOVXRUQXFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053955
OCCC(=O)N1Cc2nc(oc2C1)C(=O)NC1CCCC1	EMOLS-id_44366498,PC-id_97515433,ZINC22_96254381	293.318	YTNNBONZCFSBGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053956
OC(=O)C1(CCCCCC1)NC(=O)c1nn2c(c1)OCC2	MCULE-7839432365,EMOLS-id_320191031	293.318	KTMRITOUUCETOC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-053957
O=C(O)CCC1CCN(C(=O)c2cc3n(n2)CCO3)CC1	MCULE-8563701412,ZINC22_902057058,EMOLS-id_320226816	293.318	HRQDAPNOZUGLMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053958
c1(C(=O)c2ccc(cc2)n2ccnc2)c2CCCc2oc1N	MCULE-5485779215,PC-id_83447140	293.32	RDLUESKNWDBCEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-053959
NNc1nccc(c1F)C(=O)Nc1sc2c(n1)CCC2	PC-id_105388108	293.32	ONQGFSCTYKBINY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-053960
CNC(=O)Nc1cc2n(n1)CCN2C(=O)C1CCOCC1	PC-id_46184905,SCHEMBL12307463	293.322	IXJLUBYNSFQYAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053961
CNC(=O)NC1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_320083803,MCULE-5881442714	293.322	OMLAMGFOIJTALE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053962
N#Cc1ccc(cc1)/C=CC(=O)NCc1nnc2n1CCC2	CoCoCo_4658146	293.323	NOEWVSMCGIFOBL-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053963
N#Cc1ccc(cc1)C=CC(=O)NCc1nnc2n1CCC2	MCULE-1246521496,EMOLS-id_44060220,PC-id_72029070	293.323	NOEWVSMCGIFOBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053964
N#Cc1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)cc1	CoCoCo_4658145,ZINC22_32906567,PC-id_40143079	293.323	NOEWVSMCGIFOBL-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053965
O=c1cnc(cn1Cc1nnc2n1CCC2)c1ccccc1	EMOLS-id_319514047	293.323	LFLWKBGYZUTZSX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-053966
O=c1nc(ccn1Cc1nnc2n1CCC2)c1ccccc1	EMOLS-id_319656734	293.323	FAKYWBYDFIIIOX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-053967
O=C(Nc1cccc(c2cc[nH]n2)c1)c1n[nH]c2c1CCC2	MCULE-5465891408,ZINC22_363935302,PC-id_136577709,EMOLS-id_316840756	293.323	AMGYFDMZISYNEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-053968
c1ccc(c2ccnc(NCc3nnc4n3CCC4)n2)nc1	EMOLS-id_49177336,ZINC22_96179744,PC-id_72936503,MCULE-7147969211	293.327	NQSDLAUEKDIWRE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-053969
s1c2CCCc2cc1CNC(=O)c1c(F)c(F)ccc1	PC-id_62660936	293.332	LKEQYIHKYXNAFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-053970
CC1(OC(=O)C(=CNc2cc3c(s2)CCC3)C(=O)O1)C	SCHEMBL15410775,PC-id_86708080	293.338	MQLCPZUAZMKQRN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-053971
c
(=NC(=O)CCc2onc(OC)c2)/sc2c(CCC2)[nH]1	EMOLS-id_44214129,ZINC22_79494985,MCULE-2799054620,STOCK7S-35447,PC-id_60175157,EMOLS-id_46564484	293.341	SYFXKAFNMZADMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053972
Cc1cccc(O)c1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_313134629,ZINC22_682150641,MCULE-1577297046	293.341	CWMSSBKEALLZSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053973
CCc1cnc(o1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_106378334	293.341	PQGHZCUVXUPUQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053974
C(C(N)C(=O)Nc1sc2CCCc2c1C#N)C(=O)OC	EMOLS-id_327895666,MCULE-5916085577	293.341	IRWKLACRZYJWLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053975
CCOC(=O)C1CCc2c1nc(s2)NCc1ccno1	PC-id_106424095	293.341	KYBNVVUMWHUXDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053976
CCOC(=O)C1CCc2c1nc(s2)NCc1nocc1	PC-id_104289136	293.341	IEZMDZJRKRRKMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053977
COc1ccc(c(c1)C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_257937608,MCULE-4548799210	293.341	DJUPJSOBKZWYJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053978
COc1ccccc1NS(=O)(=O)c1cnc2n1CCC2	MCULE-6181542868,PC-id_75485183,EMOLS-id_48766038	293.341	MIBSKJXJBCPSDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053979
COc1cccc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316415557,MCULE-8336029886	293.341	JFFMESJFWBBROD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053980
COc1ccc(cc1S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	MCULE-1718974383,EMOLS-id_316436900	293.341	XWPSKXGSRCZRPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053981
COc1cccc(S(=O)(=O)Nc2cc3n(n2)CCC3)c1	EMOLS-id_324014189,MCULE-8933923909,ZINC22_1875280848,PC-id_146103324	293.341	BQRRPEDXQXZVBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053982
C(=O)(Nc1sc2CCCc2c1C#N)[C@@H](N)CCC(=O)O	EMOLS-id_327982243,MCULE-6375033920	293.341	HAWYCIRNIVDYAL-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-053983
C(=O)(Nc1sc2CCCc2c1C#N)C(N)CCC(=O)O	EMOLS-id_327994727,MCULE-1250132024,PC-id_64890886	293.341	HAWYCIRNIVDYAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053984
C(=O)(O)[C@@H](N)CCC(=O)Nc1sc2CCCc2c1C#N	MCULE-8635422366,EMOLS-id_327982499	293.341	HGBPSPXVFRCATP-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-053985
C(=O)(O)C(N)CCC(=O)Nc1sc2CCCc2c1C#N	MCULE-5236657127,EMOLS-id_327994983	293.341	HGBPSPXVFRCATP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053986
O=C(c1sc2c(c1)CCC2)NN1C(=O)C(N(C1=O)C)C	EMOLS-id_316497389	293.341	IPQBEPCITQDMNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053987
OC(=O)C1CCc2c1nc(s2)NCc1c(C)noc1C	PC-id_104289021	293.341	YWUIFXPHGMFTFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053988
OC(=O)C1CCc2c1nc(s2)NC(c1ncc(o1)C)C	PC-id_106390240	293.341	JCNIIDPABCBLKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053989
OC(=O)C1CCc2c1nc(s2)NCc1oc(c(n1)C)C	PC-id_106378372	293.341	QSOMXHUWJBERDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053990
s1c2CCCc2cc1C(=O)NNC(=O)C(=O)NC1CC1	PC-id_9506688	293.341	JRGVOQIXHNUNJW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-053991
s1c2c(CCC2)c(c1NC(=O)C1CC1)C(=O)NC(=O)N	PC-id_49678362	293.341	AXQWKHHJJJKZDH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-053992
s1c2CCCc2nc1NC(=O)NC1CC(C=C1)C(=O)O	PC-id_79216195	293.341	LRCZJZXNJNMSIV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-053993
s1c2CN(Cc2nc1N)Cc1oc(cc1)C(=O)OCC	PC-id_82194253	293.341	GLYPAALTNKRWFU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-053994
S1Cc2c(noc2NC(=O)CCc2c(onc2C)C)C1	PC-id_49720058	293.341	VBFMTRDNGPNQFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-053995
c1(NC(=O)C(=O)NCCCO)sc2c(CCC2)c1C#N	ZINC22_6759726,MCULE-1252072541,PC-id_8071943,EMOLS-id_4748945,STOCK6S-16157	293.342	IWVBGIAEGDGZGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053996
CCOC(=O)C(C(=O)Nc1sc2c(c1C#N)CCC2)N	PC-id_116458547	293.342	RZMCPGCKCLNKEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-053997
CCOC(=O)n1nc2c(c1NC(=O)C1CC1)C[NH2+]C2(C)C	PC-id_143492448	293.342	KDTWJTKVDNQFAW-UHFFFAOYSA-O	00100010100000000001000010000000000000000000000000000000	25-01-053998
COc1ccc(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320035922,MCULE-5043090352	293.342	PYKSSEMPZGTKRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-053999
COCc1cccc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316618554	293.342	ZUKFRNPFFMBPMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054000
COCc1ccccc1S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319117939	293.342	DDONXNBNLJZEHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054001
COCc1cccc(c1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320135808,MCULE-5774136005	293.342	FNFRGSLYSQJXLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054002
COCc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2	MCULE-3021452468,EMOLS-id_320168665	293.342	CSXAGXAXAKMGLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054003
c1(NC(=O)c2ccc(cc2)C#N)sc2c(CCC2)c1C#N	ZINC22_3414242,EMOLS-id_3306397,GD-id_ZINC03414242,PC-id_2533282,CoCoCo_3268205,MCULE-3677444253	293.343	VOTMGLRUWMRKAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054004
CCOP(=S)(Oc1sc2c(n1)CCC2)OCC	SCHEMBL11780627,PC-id_86734109	293.343	DIROCJSUSKYMMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054005
N#Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1	ZINC22_12801746,EMOLS-id_17182727,CoCoCo_3268175,MCULE-3164280099,PC-id_24239007	293.343	KXPFZKPCFLWHML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054006
O=C1Nc2c(/C/1=Cc1c[nH]nc1c1ccccc1)ccs2	PC-id_18626970,SCHEMBL6630626	293.343	HFSWOJWBTQMQBS-MDWZMJQESA-N	00000010100000110001100010000000000000000000000000000000	25-01-054007
O=C1Nc2c(C1=Cc1c[nH]nc1c1ccccc1)ccs2	PC-id_69845529,SCHEMBL6630629	293.343	HFSWOJWBTQMQBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054008
O=C1Nc2c(/C/1=C/c1c[nH]nc1c1ccccc1)ccs2	SCHEMBL6630620	293.343	HFSWOJWBTQMQBS-JYRVWZFOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054009
c1(C(=O)NCCc2sc3c(CCC3)n2)nn(c(=O)[nH]1)C	MCULE-4732450471,EMOLS-id_337688519,ZINC22_2100534913	293.345	ZOARYNISHKBBIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054010
Cc1cc(C)nc(n1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97699133	293.345	ULOVXCRSHCEAJD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054011
Cc1nccc(c1)S(=O)(=O)NCc1nnc2n1CCC2	EMOLS-id_319308855	293.345	HJVIMNZNBJQUMX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054012
Cc1nnc(SCC(=O)NCc2n[nH]c3c2CCC3)o1	MCULE-5494331204,ZINC22_1506431687,EMOLS-id_316220777	293.345	VNUWGQJSPFRVOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054013
CCc1ncc(cn1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970770	293.345	WYGHGALJXHCBAL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054014
CC(c1nnc2n1CCC2)NCc1ccc(s1)[N+](=O)[O-]	PC-id_104097676	293.345	DIXJLZVGWPQYDZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054015
CCn1cnnc1CNc1nc2c(s1)CCC2C(=O)O	PC-id_106304556	293.345	NEAYPQUSCVBKTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054016
CCOC(=O)C1CCc2c1nc(s2)NCc1ncn[nH]1	PC-id_104288955	293.345	ROLZXTGTCPLQTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054017
COc1nscc1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318941345	293.345	OQIYSNNICMKMCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054018
NC(=O)N1Cc2c(C1)[nH]nc2COCc1csc(n1)C	PC-id_97406037	293.345	MARNTYIGOWZWEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054019
[nH]1c(=O)[nH]nc1CC(=O)NCCc1sc2c(CCC2)n1	MCULE-7019777009,PC-id_137150763,EMOLS-id_177446376,ZINC22_426538604	293.345	PUCHPGJNKDRFEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054020
OC(=O)C1CCc2c1nc(s2)NC(c1nncn1C)C	PC-id_104288575	293.345	YUVKCZGTZRLPSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054021
OC(=O)C1CCc2c1nc(s2)N(Cc1n[nH]c(n1)C)C	PC-id_104288923	293.345	NUBPFRTWRUMSLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054022
OC(=O)C1CCc2c1nc(s2)NCCc1ncn(n1)C	PC-id_104289113	293.345	WLECPGWBZSFKFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054023
OC(=O)C1CCc2c1nc(s2)NCCc1nncn1C	PC-id_104288764	293.345	RCHDDBDJSFWHDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054024
OC(=O)C1CCc2c1nc(s2)NCCCc1ncn[nH]1	PC-id_104288945	293.345	LQUDDPJKNKUJQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054025
OC(=O)C1CCc2c1nc(s2)NCCCn1nncc1	PC-id_104449796	293.345	MRJDKSNZNGOSEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054026
s1c2c(CCC2)c(OC(C)C)c1C(=O)Nc1n[nH]nn1	PC-id_15295341	293.345	SXMDRYXNFTZUSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054027
S1c2n(CC1)c(c(n2)C)/C=N/N1CCN(C1=O)C(=O)C	PC-id_24850774	293.345	RDYBDWNJNUOFBB-NTUHNPAUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054028
S1c2n(CC1)c(c(n2)C)C=NN1CCN(C1=O)C(=O)C	PC-id_74332703	293.345	RDYBDWNJNUOFBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054029
s1cc(CNC(c2n3CCCc3nn2)C)cc1[N+](=O)[O-]	PC-id_60811832	293.345	GZZQFJCIYSAYEU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054030
c1(C(=O)NCCSc2nnnn2C)c2CCCc2n[nH]1	EMOLS-id_82731165,PC-id_119070255,MCULE-2730079396,ZINC22_426590065	293.348	ZNXIIULWMYJOSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054031
c1(NC(=O)CCCn2cnnn2)n(C)nc2CSCc12	STOCK7S-59088,SPECS-id_AO-022/43514070,EMOLS-id_104684939,MCULE-2487593246,ZINC22_524732943	293.348	DQMDZCAJJLQLTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054032
c1(NC(=O)CCn2c(C)nnn2)n(C)nc2CSCc12	MCULE-1854557104,ZINC22_1506429077,EMOLS-id_316217706	293.348	UQEHGNIWTDQLRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054033
FC(CNCc1csc2c1C(C)(C)OC2(C)C)(F)F	PC-id_114749195	293.348	NFGCWZOAPHOWQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054034
s1c2c(CCC2)cc1CNCCCOCC(F)(F)F	PC-id_61491384	293.348	YUDBCVSCVQAZEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054035
CCOC(=O)c1c(C)c(c2n1CCC2)C(=O)OC(C)(C)C	PC-id_139434879,SCHEMBL21296716	293.358	WUKZHIKMCQXLEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054036
CC(OC(=O)C1CCn2c1c(C(=O)OC(C)C)c(c2)C)C	SCHEMBL10818173,PC-id_70450690	293.358	WDEKPEMMRNELGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054037
COCC1(O)CCCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_318887206	293.358	GOATZVKXDDTEPT-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-054038
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)C1CC1	SCHEMBL1004786	293.36	MDQUDMQVAWVQCL-XNTDXEJSSA-N	00100010100000110000100010000000000000000000000000000000	25-01-054039
CS(=O)c1ccc(cc1F)NCc1cnc2n1CCC2	MCULE-8494745643,EMOLS-id_318603149	293.36	MAHCLHGHXUXLBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054040
O(C(=O)c1[nH]c2CCC(=Cc3cc(C4CC4)ccc3)c2c1)C	PC-id_66873741	293.36	MDQUDMQVAWVQCL-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-054041
c12CN(Cc1nn(CC1CC1)c2CO)C(=O)OC(C)(C)C	MCULE-3168285667,EMOLS-id_324349035	293.361	XBBGEVNYRRRVIU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054042
c12CN(Cc1nn(CC1CCCC1)c2CO)C(=O)OCC	MCULE-2177800828,EMOLS-id_324346987	293.361	ASBWJDYSVIXYAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054043
c12CN(Cc1nn(C(C)(C)C)c2C=O)C(=O)OC(C)(C)C	PC-id_105527723,EMOLS-id_324347496,MCULE-7629354887	293.361	QNIOAEGWTHQCNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054044
c1(c2CCCc2[nH]n1)C(=O)N(C)[C@@H]1CCC[C@@H](OC)[C@@H]1O	PC-id_110125630,BDE-33844610,ZINC22_257218354,MCULE-1493639088,EMOLS-id_48388419	293.361	DCVBBUTZVSOMHK-YRGRVCCFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054045
C1Cn2c(ccc2C(=O)c2cccs2)C1SC(=O)O	SCHEMBL11131394,PC-id_88729115	293.361	WIQSTRCJJXNQFL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054046
c1(C(=O)N(CCC)CCC(=O)OCC)c2CCCc2[nH]n1	MCULE-2176550609,EMOLS-id_334808838	293.361	BHAGJPXIEFFMMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054047
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)O	EMOLS-id_1476619,MCULE-5385424444,ZINC22_180442,CoCoCo_345378,CHEMBL1550507,STOCK3S-78493,PC-id_741713,ChEMBL-DNDi_CHEMBL1550507,ChEMBL-DNDi_CHEMBLF0863-0535,BAS-06105479	293.361	ZFDKMZPINGTQSH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054048
CC(C1OCCC(C1)CNC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_101298225	293.361	QFALNSRATYSFJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054049
CC(C)NC(=O)c1nc2CN(CC3CCOCC3)Cc2o1	PC-id_97515416,ZINC22_96254364,EMOLS-id_44366478	293.361	UEQZNGIPEOKHLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054050
C[C@@H]([C@H]1COC(O1)(C)C)NC(=O)c1n(C)nc2c1CCC2	MCULE-7665928545,EMOLS-id_319862939	293.361	KGKLKQPHPWTQSN-JOYOIKCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054051
CN(C(=O)OC(C)(C)C)C(C)(C=O)c1n[nH]c2CCCc12	MCULE-1699694033,EMOLS-id_313951079	293.361	YNZWUFVGSFNRNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054052
COC1COCCC1CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319680860	293.361	JPRQZSXOXYYWOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054053
COCC1(O)CCCN(CC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_319683001	293.361	RXWCJCHZJRNBJC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054054
COCC1(O)CCCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318891974	293.361	ORRLJCDLTYXDTG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054055
n1c(CNC(=O)COCC2CCCCO2)c2c(CCC2)[nH]1	EMOLS-id_55681599,MCULE-4045243445,PC-id_91839788	293.361	OWAGWTVXGUBFKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054056
O=C(c1cc2n(n1)CCO2)N1CCC(CC1)OC(C)(C)C	EMOLS-id_111133504	293.361	PMLXYZSNBYAJCC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054057
O=C(C1(C)COC(OC1)(C)C)NCc1n[nH]c2c1CCC2	MCULE-5171043626,EMOLS-id_319840448	293.361	YNDXJWRPVPCXPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054058
OCC1(COCCN1C)CNC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319042820	293.361	GDAQLPROJDTVSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054059
O=Cc1n(CC(C)C)nc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_105527725	293.361	WYXKKXCJOQUSDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054060
O=C(c1nn2c(c1)OCC2)NCC(C1(O)CCCC1)(C)C	EMOLS-id_101506677	293.361	ASQSBHAPLSHEMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054061
O=Cc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(C)(C)C	PC-id_105527714	293.361	KHBSAHHKJGTAOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054062
O=Cc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)CC(C)C	PC-id_105527716	293.361	RBTLAIXCDJCNEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054063
O=C(COC[C@H]1CCCCO1)NCc1n[nH]c2c1CCC2	ZINC22_244763815	293.361	OWAGWTVXGUBFKX-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054064
O=C(COC[C@@H]1CCCCO1)NCc1n[nH]c2c1CCC2	ZINC22_244763816	293.361	OWAGWTVXGUBFKX-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-054065
O=C(Nc1n(C)nc2c1CCC2)CCOCC1CCCO1	EMOLS-id_98810494	293.361	ZDJHTQIGFOCHGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054066
O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccsc1	EMOLS-id_177212327,PC-id_43328026,ZINC22_37326490	293.361	KIXOCBPXZFOSDJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054067
O=C(O)[C@H](CNCc1cnn2c1CCC2)C1CCOCC1	ZINC22_2325829959	293.361	XBPDTRJFALTPHU-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054068
O=C(O)[C@@H](CNCc1cnn2c1CCC2)C1CCOCC1	ZINC22_2325829960	293.361	XBPDTRJFALTPHU-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054069
s1c2CCCc2cc1C(=O)Nc1c(scc1)C(=O)O	PC-id_20112689	293.361	PXAOAUWXSLZBIW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054070
s1c2CCCc2cc1C(=O)Nc1sccc1C(=O)O	PC-id_20120329	293.361	DMARXXQHIMBFCD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054071
s1c2CCCc2cc1C(=O)Nc1sc(cc1)C(=O)O	PC-id_43474834	293.361	XLEBBVBZOIMDRI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054072
c1(C(=O)N2CCC(=CC2)c2ccccc2)c2CCCc2n[nH]1	PC-id_119062008,EMOLS-id_82709059,MCULE-8411318146,ZINC22_336317146	293.363	OCSFYXMSACUQJK-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-054073
CC1CCc2c1c(nn2Cc1cccc(OC2CC2)c1)C#N	EMOLS-id_331018740,MCULE-5870302406	293.363	DZVZUTWNQDMGMO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-054074
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(C#N)c12	MCULE-9576286745,EMOLS-id_330999486	293.363	PWQYZXTWQVTHFB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-054075
Cc1nc(NCCc2nc3n(c2)CCS3)c(c(n1)C)F	MCULE-4167607879,EMOLS-id_318265659	293.363	QJASBSYIORFETK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054076
Nc1nc(NC2CCc3c2ccs3)nc(n1)C(F)(C)C	PC-id_139904918	293.363	CJBDBPNMRUKPNY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054077
O=C(c1cnc2n1CCC2)N1CC=C(c2ccccc2)CC1	ZINC22_1875267523	293.363	BDDPQYRIERDNEC-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-054078
O=C(c1cnn2c1CCC2)N1CC=C(c2ccccc2)CC1	ZINC22_336232583	293.363	SHXUQIKFNXVPTR-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-054079
c12CN(Cc1n(nc2)CCO)CC(=O)N1CCN(CC1)C	MCULE-7044949008,PC-id_91836318,ZINC22_240203766,EMOLS-id_55657180	293.365	JSYDODIIMQTQEI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054080
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC#N	MCULE-5567168976,EMOLS-id_186614085	293.365	QULSQHPWZJYMMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054081
CCC1OCCCN(C1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_98902801	293.365	QHASYRGDBOTLHV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054082
CCC(C(=O)N1CCOCC1)NC1CC(n2c1ncn2)C	MCULE-9801879895,EMOLS-id_319974598	293.365	BNZIOFDGOPVIIL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054083
CCN(C[C@@H]1CCOC1)C(=O)NCc1nnc2n1CCC2	PC-id_97099581,ZINC22_89969160	293.365	JGFLWZUNMSLJNJ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-054084
CCN(C[C@H]1CCOC1)C(=O)NCc1nnc2n1CCC2	ZINC22_89969161,PC-id_97099582	293.365	JGFLWZUNMSLJNJ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054085
CCN(C(=O)NCc1nnc2n1CCC2)CC1COCC1	MCULE-2802345937,EMOLS-id_45753816,PC-id_71893460	293.365	JGFLWZUNMSLJNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054086
CCOCCN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_320314698,MCULE-7217548764	293.365	QIUUTPFPFOLOLC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054087
CC(=O)NC(C(=O)N(Cc1nnc2n1CCC2)C)C(C)C	MCULE-9776589912,EMOLS-id_36268932,PC-id_53521520	293.365	RCJDZKHWMXTECE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054088
CC(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C	PC-id_95273882,ZINC22_69349481	293.365	RCJDZKHWMXTECE-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054089
CC(=O)N[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C	ZINC22_69349480,PC-id_95273881	293.365	RCJDZKHWMXTECE-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054090
CN(C(=O)NC(c1nnc2n1CCC2)C)C[C@H]1CCCO1	EMOLS-id_99584258	293.365	HXMIRLCQHUXXLE-RRKGBCIJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054091
NCC1(CCOCC1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_115439014	293.365	ZNPQUMXEBFJJNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054092
NCC1(CCOCC1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_115439265	293.365	CMWGTDHZPWTNHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054093
O1CC(C(NCC)C1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_66259632	293.365	FXRCMKUTIUYRTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054094
O1CC(C(NCC)C1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_66260425	293.365	OIBDVGFVRSOTLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054095
O(C1CCNCC1)CC(=O)N(Cc1n2CCCc2nn1)C	PC-id_63875006	293.365	RAHBEIJOQMLCMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054096
O(C1CCNCC1)CC(=O)NC(c1n2CCCc2nn1)C	PC-id_63877057	293.365	SPHHNZHWYYIUFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054097
OCC1(C)CCCC1NC(=O)NCc1nnc2n1CCC2	PC-id_111470885	293.365	BYVZPTMUAAOFFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054098
OCC1CCCCC1NC(=O)NCc1nnc2n1CCC2	PC-id_111630454	293.365	KFHQCNSTBNHLCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054099
O=C(c1ccccc1N)Nc1sc2c(n1)S(=O)CC2	PC-id_144376246	293.365	WXROECWUZROSNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054100
O=C(C1NCc2c1c[nH]n2)NCCN1CCOC(C1)(C)C	MCULE-5172504473,EMOLS-id_320187105	293.365	SUAQQGFLRFEKHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054101
O=C(Nc1n(C)nc2c1CCC2)CNC(=O)[C@H](C(C)C)N	PC-id_120169794,MCULE-7393404790,EMOLS-id_303005488	293.365	FGKBGLLTXOISSF-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054102
O=C(NCC1(O)CCCCC1)NCc1nnc2n1CCC2	PC-id_110936405	293.365	QOHCPTZJZBRSBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054103
s1c2c(CCC2)c(c1NC(=O)c1ncsc1)C(=O)N	PC-id_63047834	293.365	XNLORKXYBIIQKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054104
c1ccc(C[C@H]2Cc3nnc(CCn4cccn4)n3C2)cc1	ZINC22_1800410549	293.366	VCNXRXWNXWVAEU-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054105
c1ccc(C[C@@H]2Cc3nnc(CCn4cccn4)n3C2)cc1	ZINC22_1800410550	293.366	VCNXRXWNXWVAEU-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054106
Cc1nn(cc1CNC1CCn2c1ncc2)c1ccccc1	MCULE-4400700232	293.366	SOIXYUZBYSGEFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054107
C(Cn1cccn1)c1nnc2CC(Cc3ccccc3)Cn12	MCULE-1230548384,EMOLS-id_323924615,PC-id_139598864	293.366	VCNXRXWNXWVAEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054108
N#CC1(CC(C1)NCc1nnc2n1CCC2)c1ccccc1	EMOLS-id_318583283	293.366	GQDWTIJJURWZBN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-054109
CC(c1cccc(c1F)F)NCc1sc2c(c1)CCC2	PC-id_103924779	293.375	CTBPADRQBDOQRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054110
CCNC(c1cccc(c1F)F)c1sc2c(c1)CCC2	PC-id_115862076	293.375	YYTDITXNJSAPLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054111
CCNC(c1c(F)cccc1F)c1sc2c(c1)CCC2	PC-id_115859941	293.375	RAVWEINYMHGPGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054112
CCNC(c1sc2c(c1)CCC2)c1cc(F)cc(c1)F	PC-id_115851751	293.375	JWYPNRYYGZSGDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054113
CNC(c1ccc(c(c1F)F)C)c1sc2c(c1)CCC2	PC-id_107515289	293.375	BYVCEFQWOJAMML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054114
CNC(c1c(F)ccc(c1F)C)c1sc2c(c1)CCC2	PC-id_105027007	293.375	LSQVJNVFYAWXKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054115
CNC(c1sc2c(c1)CCC2)Cc1cc(F)cc(c1)F	PC-id_105412368	293.375	KMNHZSOIORYSST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054116
CNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1F	PC-id_115809378	293.375	VNXQMYJUHFCTDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054117
FC(c1ccc(cc1)CNCc1sc2c(c1)CCC2)F	PC-id_115523869	293.375	VALIFTGIDIFFCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054118
FC(c1cccc(c1)CNCc1sc2c(c1)CCC2)F	PC-id_115526386	293.375	YPWQVQAXJKHFPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054119
FC(c1ccccc1)(CNCc1sc2c(c1)CCC2)F	PC-id_116788908	293.375	FQGMZTRYKBMKGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054120
s1c2c(CCC2)cc1C(NC)c1cc(c(F)cc1F)C	PC-id_79723954	293.375	UWABEPHBGAXJMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054121
s1c2c(CCC2)cc1CNC(c1cc(F)cc(F)c1)C	PC-id_80198903	293.375	CBWAPZPJCCVBBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054122
s1c2c(CCC2)cc1CNC(c1cc(F)c(F)cc1)C	PC-id_61207211	293.375	FMXBZGDUOOVUIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054123
s1c2c(CCC2)cc1CNC(c1c(F)cccc1F)C	PC-id_61207763	293.375	RAHYRWRYFYGFBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054124
s1c2c(CCC2)cc1CNC(c1c(F)ccc(F)c1)C	PC-id_61207582	293.375	IBVAYOGHBGHPPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054125
s1c2c(CCC2)cc1C(NC)c1c(F)cc(c(F)c1)C	PC-id_80115133	293.375	SBQJLYIEEKKXAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054126
s1c2c(CCC2)cc1CNC(c1c(F)cc(F)cc1)C	PC-id_61207212	293.375	ILYWZHZUYNBEQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054127
s1c2c(CCC2)cc1C(NCC)c1cc(F)c(F)cc1	PC-id_43491299	293.375	QMAWHLAEDIMAFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054128
s1c2c(CCC2)cc1C(NC)Cc1cc(F)c(F)cc1	PC-id_80380259	293.375	DPOBVHPXZGAKGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054129
s1c2c(CCC2)cc1C(NC)Cc1c(F)cccc1F	PC-id_80379470	293.375	AYSMECQBYDXXHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054130
s1c2c(CCC2)cc1C(NCC)c1c(F)ccc(F)c1	PC-id_43490139	293.375	MMUNKUGEKVFNDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054131
s1c2c(CCC2)cc1C(NCC)c1c(F)cc(F)cc1	PC-id_43490989	293.375	BSJDBKGUILKSAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054132
s1c2c(CCC2)cc1C(NC)Cc1c(F)cc(F)cc1	PC-id_80389019	293.375	ZLSKPQRGQSYWCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054133
s1c2c(CCC2)cc1C(NC)Cc1c(F)c(F)ccc1	PC-id_80114002	293.375	WKDWUVUVVVOBMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054134
Fc1ccc(cc1)CNC(=O)c1sc2c(c1)CSC2	CoCoCo_2684267,PC-id_20967459	293.38	JNZXIIUVEXILDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054135
c12CCCc1c(C(=O)OCC)c(NC(=O)CCC=C)s2	EMOLS-id_25507792,PC-id_24720094,MCULE-5769641251	293.381	KKIVKVNBKOZDKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054136
c12CCCc1c(C(=O)OCC)c(NC(=O)/C=C(/C)C)s2	MCULE-7235076905,PC-id_19177477,EMOLS-id_25507564	293.381	OFAWFKHLKUZIAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054137
CC1CCCC1C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107175148	293.381	SLWIQUQVJFTWHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054138
CC1CCC(CN1C(=O)c1sc2c(c1)CCC2)C(=O)O	MCULE-4498496195,EMOLS-id_72798113,PC-id_122083889	293.381	XTDMPSNGSQBYLB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054139
CC1CC(CCN1C(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_106742048	293.381	YRSKTWIDKXOQIG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054140
CC1CC(CN(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O	MCULE-6439645970,EMOLS-id_72934735,PC-id_122119387	293.381	KWQPKXUIFHAZHM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054141
CC1CCN(C(C1)C(=O)O)C(=O)c1sc2c(c1)CCC2	MCULE-1921029518,PC-id_114421961,EMOLS-id_71328278	293.381	AEVOLFRLCRHYPP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054142
CC(C(=O)O)CN(C(=O)c1sc2c(c1)CCC2)C1CC1	PC-id_120240159,EMOLS-id_53703929,MCULE-3040082465	293.381	QFBRPDOJWFEDAM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054143
CCOC(=O)c1c(NC(=O)C2CC2C)sc2c1CCC2	PC-id_3316996,MCULE-7684075346,EMOLS-id_3218653	293.381	KXBLNEQNDWZUGW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054144
CCCCCCCCCCCc1csc2c1S[C]=C2	PC-id_101896402	293.51	XCEVSUSREHBFFD-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-054392
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C)sc2c1CCC2	CoCoCo_3268300,ZINC22_2647776,PC-id_2110855	293.381	KXBLNEQNDWZUGW-WCBMZHEXSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054145
CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2C)sc2c1CCC2	CoCoCo_3268302,ZINC22_2647775,PC-id_2110854	293.381	KXBLNEQNDWZUGW-WPRPVWTQSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054146
CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2C)sc2c1CCC2	PC-id_2110852,CoCoCo_3268303,ZINC22_2647773	293.381	KXBLNEQNDWZUGW-SCZZXKLOSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054147
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2C)sc2c1CCC2	ZINC22_2647774,PC-id_2110853,CoCoCo_3268301	293.381	KXBLNEQNDWZUGW-PSASIEDQSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054148
COC(=O)C1CCCCN1C(=O)c1sc2c(c1)CCC2	MCULE-9080767298,PC-id_51076043,EMOLS-id_31878242	293.381	DSDFUJAKJORSKG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054149
O=C(C1CCC(C1)C(=O)O)NCc1sc2c(c1)CCC2	PC-id_103550508	293.381	YKPOZEZDOSMWIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054150
O=C(C1CCCC1C(=O)O)NCc1sc2c(c1)CCC2	PC-id_103978528	293.381	UZAIJPLFRKONSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054151
O=C(c1sc2c(c1)CCC2)N1CCC(C(C1)C)C(=O)O	PC-id_121643355	293.381	VNMSQBCWQIBCNI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054152
O=C(c1sc2c(c1)CCC2)NC1(CCCCC1)C(=O)O	EMOLS-id_50917697,MCULE-2476668110,PC-id_24702101	293.381	GCIWTJBAWLNXQH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054153
O=C(c1sc2c(c1)CCC2)NC1CCC(CC1)C(=O)O	MCULE-5094768075,PC-id_60808698,EMOLS-id_51189011	293.381	QLIVLMYFGGJZAX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054154
O=C([C@@H]1CCC[C@@H]1C(=O)O)NCc1sc2c(c1)CCC2	PC-id_105636627	293.381	UZAIJPLFRKONSC-NEPJUHHUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054155
O=C([C@@H]1CC[C@@H](C1)C(=O)O)NCc1sc2c(c1)CCC2	PC-id_105636629	293.381	YKPOZEZDOSMWIV-MNOVXSKESA-N	00000010100000000000000010000000000000000000000000000000	25-01-054156
O=C([C@H]1[C@H](C1(C)C)C(=O)O)NCc1sc2c(c1)CCC2	PC-id_105636630	293.381	PODVTESUBGHIGJ-NEPJUHHUSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054157
O=C(N1CCCC(C1)(C)C(=O)O)c1sc2c(c1)CCC2	EMOLS-id_71298771,MCULE-4739194050,PC-id_63133447	293.381	IRZBQGYZPZFUOJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054158
O=C(N1CCCCC1(C)C(=O)O)c1sc2c(c1)CCC2	PC-id_104595072	293.381	SOAYKPHVIPNKOD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054159
O=C(N1CCCC(C1C(=O)O)C)c1sc2c(c1)CCC2	PC-id_107069598	293.381	LGKLOGKMZCHRSS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054160
O=C(N1CCC[C@H]([C@H]1C)C(=O)O)c1sc2c(c1)CCC2	PC-id_122114768	293.381	IJVNQQDECOFUQP-MWLCHTKSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054161
OC(=O)c1c2c(CCC2)sc1NC(=O)C1CCCCC1	CoCoCo_3705064,PC-id_2507860,ZINC22_3389674,EMOLS-id_2861789,MCULE-6369914453	293.381	OSJJBTBVDMMNOY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054162
OC(=O)CC1(CCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_71304343,PC-id_64673173,MCULE-7771170254	293.381	NGYJFKQJSNVTFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054163
OC(=O)CC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	MCULE-7925426064,EMOLS-id_71309792,PC-id_78980309	293.381	AXDRCCOFGQIICE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054164
s1c2c(CCC2)cc1C(=O)N1C(CCC1)C(=O)OCC	PC-id_61600910	293.381	PTWPXAKTWITZAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054165
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)CC(=O)O	PC-id_61010676	293.381	KUEXPQJKMBHMPF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054166
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)CC(=O)O	PC-id_62690574	293.381	AWCZTFWWSAVMPJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054167
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)(C)C(=O)O	PC-id_63123288	293.381	HCDARKNTJXPUEB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054168
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)C(=O)OC	PC-id_43405914	293.381	VMHNCHZUKFLDAG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054169
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)C(=O)OC	PC-id_78919116	293.381	IOQTUVOXMWPTCL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054170
s1c2c(CCC2)cc1C(=O)N1C(CCCCC1)C(=O)O	PC-id_64559354	293.381	ZLETYALOUULIJM-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-054171
s1c2c(CCC2)cc1C(=O)N1C[C@H](CCC1)C(=O)OC	PC-id_78919441	293.381	IOQTUVOXMWPTCL-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-054172
s1c2c(CCC2)cc1C(=O)N1[C@H](CCCC1)C(=O)OC	PC-id_79832990	293.381	DSDFUJAKJORSKG-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054173
s1c2c(CCC2)cc1C(=O)N(C1CCCC1)CC(=O)O	PC-id_60826434	293.381	QFZFUNBQVSHUGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054174
s1c2c(CCC2)cc1C(=O)NC1CC(CCC1)C(=O)O	PC-id_63042200	293.381	PIIUUFYEUBUEMQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054175
s1c2c(CCC2)cc1C(=O)NC1C(CCCC1)C(=O)O	PC-id_64815218	293.381	OTXROOYGWQNBOW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054176
s1c2c(CCC2)cc1C(=O)NCC1(CCC1)CC(=O)O	PC-id_81165297	293.381	NWVJJRDXDZEHEH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-054177
s1c2c(CCC2)cc1C(=O)NCC1C(CCC1)C(=O)O	PC-id_65898177	293.381	LXVYZNSMRJRBNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054178
s1c2c(CCC2)cc1C(=O)NCC1(CCCC1)C(=O)O	PC-id_81362706	293.381	XKOCYHMNARFKDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054179
s1c2CCCc2cc1C(=O)N(CC(=O)OCC)CC=C	PC-id_78978501	293.381	CQNKAVHSWGXPBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054180
s1c2CCCc2cc1C(=O)OCC(=O)NC1CCCC1	PC-id_4387475	293.381	PUMVNZQVMSKDSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054181
s1c2c(CCC2)c(c1NC(=O)C1CCC1)C(=O)OCC	PC-id_46094729	293.381	KDWYDQLJVALIGD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-054182
s1c2c(CCC2)c(c1NC(=O)C1(CCCC1)C)C(=O)O	PC-id_80259515	293.381	GNYQOWKFPGIBHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054183
s1c2c(CCC2)c(c1NC(=O)C1CCCC1)C(=O)OC	PC-id_5083064	293.381	RSRKYGMYCIDMBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054184
s1c2c(CCC2)c(c1NC(=O)CC1CCCC1)C(=O)O	PC-id_60756149	293.381	SFQSIKYQXMKEEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054185
s1c2c(CCC2)c(c1NC(=O)/C(=C/C)/C)C(=O)OCC	PC-id_46094885	293.381	OFRCDSMJBOZZCJ-RUDMXATFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054186
s1c2c(CCC2)c(c1NC(=O)C(=CC)C)C(=O)OCC	PC-id_71958851	293.381	OFRCDSMJBOZZCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054187
s1c(CNC(=O)C2C(C2C(=O)O)(C)C)cc2c1CCC2	PC-id_64834854	293.381	PODVTESUBGHIGJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054188
s1c(C(=O)N2CC(CC2)(CC)C(=O)O)cc2c1CCC2	PC-id_63146419	293.381	VMMQYISGYNUPPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054189
s1c(C(=O)N2C(CCC2)(CC)C(=O)O)cc2c1CCC2	PC-id_83075647	293.381	DMVKHRRRNLDRFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054190
s1c(C(=O)N2CC(CC2)CCC(=O)O)cc2CCCc12	PC-id_81715069	293.381	UWVJWOQRMVYRCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054191
s1c(C(=O)N2CC(C(C2)C(=O)OC)C)cc2c1CCC2	PC-id_80192024	293.381	NJESMZZLCLPVRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054192
s1c(C(=O)N(C2CC2)CC(=O)OCC)cc2c1CCC2	PC-id_61410169	293.381	BFUUFAZBHWYTGO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054193
s1c(C(=O)NC2C(CCC2)(C)C(=O)O)cc2CCCc12	PC-id_82759877	293.381	CIBWVCLYONKBSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054194
s1c2CCCc2nc1Nc1c(cc(F)cc1)C(=S)N	PC-id_63674732	293.383	ZOEIAEFTQNZDSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054195
s1c2CCCc2nc1Nc1c(c(F)ccc1)C(=S)N	PC-id_79513611	293.383	SUQNCJNZYABACR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054196
s1c2CCCc2nc1Nc1c(F)cc(cc1)C(=S)N	PC-id_61511644	293.383	GDCRYFVPLXWLON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054197
c1(NC(=O)C2CC2)sc2c(CCC2)c1C(=O)NCCN	PC-id_39162855,MCULE-7942407983	293.385	IFKDQYZVUINJSU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054198
CCC1=NOC(C1)C(=O)NCCc1sc2c(n1)CCC2	PC-id_118762010	293.385	PJTXLUKUTZOJCM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-054199
CC(C)N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	MCULE-5723499672,PC-id_45812154,EMOLS-id_31898934	293.385	UHKXMAYDWAVTIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054200
CC(C)N1C[C@@H](C(=O)Nc2nc3c(s2)CCC3)CC1=O	PC-id_93612135,ZINC22_40508569,CoCoCo_4821114	293.385	UHKXMAYDWAVTIN-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-054201
CC(C)N1C[C@H](C(=O)Nc2nc3c(s2)CCC3)CC1=O	ZINC22_40508567,PC-id_93612134,CoCoCo_4821115	293.385	UHKXMAYDWAVTIN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054202
CCOC(=O)C1CCc2c1nc(s2)N(CC(C#N)C)C	PC-id_104288144	293.385	NMDZEZIPMOQSOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054203
CCOC(=O)C1CCc2c1nc(s2)N(CCC#N)CC	PC-id_104288317	293.385	UTISVKCNCKVTHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054204
CCOC(=O)C1CCc2c1nc(s2)N(C(CC#N)C)C	PC-id_104288687	293.385	RLQDCHRQPMZZLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054205
CC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1	ZINC22_25767890,MCULE-9578276117,CoCoCo_4164291,EMOLS-id_31854633,PC-id_33039555	293.385	KLHYNQRMHHANFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054206
CN=C(C(=O)NC(C)C)Nc1sc2c(c1C=O)CCC2	PC-id_143679423	293.385	FFMGNSXCVUZOJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054207
CNC(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102254954	293.385	BOTBRVDZTLPIPC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054208
N#CCCN(c1nc2c(s1)CCC2C(=O)O)CC(C)C	PC-id_104288117	293.385	YDLAPORSYLBUJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054209
NC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CCC2	EMOLS-id_3159639,ZINC22_3200283,PC-id_2325126,MCULE-6244673166,CoCoCo_3564653	293.385	GMMFXEPCAVQETE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054210
O=C(C1CN(C1)C1CCOC1)Nc1sc2c(n1)CCC2	EMOLS-id_257991159,MCULE-8446121519	293.385	HMSFLPFUOBCNEK-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-054211
O=C(c1sc2c(c1)CCC2)N1CCCN(CC1)C(=O)N	EMOLS-id_102705381	293.385	PQLMEZZZDBIKPW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054212
O=C(c1sc2c(c1)CCC2)NNC(=O)[C@H]1CCCN1C	EMOLS-id_278261822	293.385	LEXBNOGAHJIWMH-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054213
OCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_110935835	293.385	XRFGQSIJBWPNGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054214
O=C(Nc1nc2c(s1)CCC2)N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12	ZINC22_1875304180	293.385	CKHVDFNXEUYQEH-KBIXCLLPSA-N	00100010100010000001010010000000000000000000000000000000	25-01-054215
OC(=O)C1CCc2c1nc(s2)NC1CCN(C1)C1CC1	PC-id_104288271	293.385	DDVNBXHRUKVFJF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-054216
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)C(=NO)N	PC-id_64427430	293.385	HAGODJYOCLPQRQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054217
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)C(=NO)N	PC-id_64442588	293.385	QMBOJFYBSXQAIX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054218
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)C(=NO)N	PC-id_64444112	293.385	FYQGBMVFBYFOGN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054219
s1c2c(CCC2)cc1C(=O)N1C(CNCC1)C(=O)NC	PC-id_65821180	293.385	ISRMNPZMWNCKCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054220
s1c2c(CCC2)cc1C(=O)NC1(CCCC1)C(=NO)N	PC-id_61133947	293.385	AWBOOCZFPJXFEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054221
s1c2c(CCC2)cc1C(=O)NC1C(CCC1)C(=NO)N	PC-id_62956939	293.385	NQCJWMIFQRHVNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054222
s1c2CCCc2cc1C(=O)NCC(=O)N1CCNCC1	PC-id_61177223	293.385	NMYYSGIQPDBETR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054223
s1c2c(CCC2)c(c1NC(=O)C(N)CCCOC)C#N	PC-id_81089277	293.385	RTLKWWYEAPEQBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054224
s1c2c(CCC2)c(C(=O)N2CCNCC2)c1NC(=O)C	PC-id_39162829	293.385	MKEJXBLUJWEOJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054225
s1c2CCCc2nc1NC1CC(=O)N(C(CC)C)C1=O	PC-id_61508896	293.385	DYHSYXUYAYONPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054226
s1c2CCCc2nc1NC(=O)CCCNC(=O)C1CC1	PC-id_38039225	293.385	CHRLBBJHDUDVCG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054227
s1c(C(=O)N(C2CC2)CCC(=NO)N)cc2c1CCC2	PC-id_61587089	293.385	SXKXQCSPIHOMOS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054228
COC(c1nsc(n1)NC1CC(n2c1ncc2)C)(C)C	MCULE-6947177458,EMOLS-id_318541776	293.388	YFBRMUOZJHICIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054229
O=C1C(C(c2c1n(cc2)Cc1ccccc1)C(C)C)CC=C	PC-id_75301165	293.403	WHFXJJVTUHGQPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054230
O=C1[C@@H]([C@H](c2c1n(cc2)Cc1ccccc1)C(C)C)CC=C	PC-id_49840269	293.403	WHFXJJVTUHGQPN-MSOLQXFVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054231
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)csc2C	SCHEMBL9186371,PC-id_18947047	293.404	HOSWENAABOYWKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054232
CCC1CCc2c1nc([nH]2)C(NC(=O)OC(C)(C)C)(C)C	PC-id_102970661	293.404	LQRFKFQVQPRJLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054233
CCC(c1nc2c([nH]1)CCC2C)(NC(=O)OC(C)(C)C)C	PC-id_102970174	293.404	IUCYWSNAIQHYAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054234
CC[C@@H](c1nc2c([nH]1)CCC2CC)NC(=O)OC(C)(C)C	PC-id_102970611	293.404	XZQPEPNLPFJRSS-DTIOYNMSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054235
CC(CN(C1CCOCC1)Cc1nn2c(c1)CCC2)(O)C	EMOLS-id_318191839	293.404	WQGMHEWGTQSZGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054236
CCOC(=O)C1CCc2c1nc(s2)Cc1cccs1	PC-id_113395603	293.404	WCPZJSVIDFCXMJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054237
OC(c1ccsc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_103771665	293.404	KRMUBNHHLGDCDU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054238
O=C(N(C(c1nc2c([nH]1)CCC2C)(C)C)C)OC(C)(C)C	PC-id_102970218	293.404	JEWPPFCWJAPXED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054239
OC(=O)c1ccc(s1)CNCc1cc2c(s1)CCC2	PC-id_103242935	293.404	VTJJGJLYFSQPPW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054240
OC(=O)c1sccc1CNCc1sc2c(c1)CCC2	PC-id_113792940	293.404	DIFKHDWZFKDDBK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054241
O=C(OC(C)(C)C)NC(c1nc2c([nH]1)CCC2C)C(C)C	PC-id_102970188	293.404	XAACZDIUFIJLOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054242
O=C(OC(C)(C)C)N[C@H](c1nc2c([nH]1)CCC2C)C(C)C	PC-id_102970191	293.404	XAACZDIUFIJLOJ-KFJBMODSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054243
O(C(=O)N1Cc2c([nH]c(c2CCN)C(C)C)C1)C(C)(C)C	PC-id_84815161	293.404	ZFWQFOXMWSKBDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054244
O(C(=O)N1Cc2c([nH]c(C(C)(C)C)c2CN)C1)C(C)(C)C	PC-id_84815160	293.404	PHVFJZPYSBMUMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054245
s1c2c(CCC2)cc1CNCc1scc(c1)C(=O)O	PC-id_80330923	293.404	XSLYBFYULPXETE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054246
s1c2c(CCC2)cc1CNS(=O)(=O)c1ccccc1	PC-id_61940934	293.404	CDOQYIUTQGYWGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054247
CC1CCc2c1c(nn2Cc1ccc(cc1)C(C)(C)C)C#N	EMOLS-id_331021553,MCULE-2381234079	293.406	FDGLMRFPAPVOFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054248
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(C#N)c12	EMOLS-id_330998204,MCULE-3447105962	293.406	ZSVQSZHREAXPGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054249
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1C#N	MCULE-3204104433,EMOLS-id_331004341	293.406	DXFIPACEVHKKCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054250
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1C#N	MCULE-4773876436,EMOLS-id_331004597	293.406	YZFLCIQVDTYJIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054251
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002040,MCULE-1086159582	293.406	BHSYTHZOVJXNOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054252
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004853,MCULE-5751326955	293.406	IXIAMPNYBHNLCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054253
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005109,MCULE-4264509226	293.406	DMLZSIPAPJJIJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054254
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1	EMOLS-id_330997948,MCULE-3508935810	293.406	OFXCFIVLOIRGAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054255
CC(C)Cc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1	MCULE-8087156640,EMOLS-id_331021297	293.406	XVPIJHPWIZBDGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054256
c1(sccc1N)C(=O)NCCc1sc2c(CCC2)n1	ZINC22_299761532,PC-id_118769947,EMOLS-id_68889606,MCULE-2809720043	293.408	UWXXNUQUBHXWHR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054257
c1(sc(nc1CC)C)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323476625,MCULE-3173424704	293.408	ZSTMEXZAHDCBIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054258
Cc1ccc(cc1)SN(N1Cc2c(C1)nc(s2)C)O	PC-id_144662442	293.408	AZTVFFOSLGNGPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054259
Cc1csc(n1)C(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318646271	293.408	DZCBFOORWSVFMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054260
Cc1nnc(s1)C(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_318601971	293.408	NPVUZDROEJPPMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054261
Cc1sc(c(n1)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318568908	293.408	ZUFXQHKQCIIGPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054262
Cc1snc(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181857	293.408	RJABWBPLZUKBRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054263
CCc1sc(c(n1)C)C(=O)/N=c/1[nH]c2c(s1)CCC2	EMOLS-id_318730000,GD-id_ZINC50294212	293.408	MRJAAIOFPXJPDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054264
CC(C)(C)CC(C)(C)NC(=O)NCc1nnc2n1CCC2	MCULE-4691482338,ZINC22_75108638,EMOLS-id_43410183,PC-id_72101766	293.408	OEBLILFUDDJMHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054265
CC(C)C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2	ZINC22_8558102,PC-id_4955507	293.408	XKIHOLUVKUMGBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054266
CC[C@H]1CN(C[C@@H]2CCc3ncnn23)CCN1CCOC	ZINC22_639478803	293.408	RPPDCIUNPQXPFQ-KBPBESRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054267
CC[C@@H]1CN(C[C@@H]2CCc3ncnn23)CCN1CCOC	ZINC22_639478805	293.408	RPPDCIUNPQXPFQ-KGLIPLIRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054268
CC[C@H]1CN(C[C@H]2CCc3ncnn23)CCN1CCOC	ZINC22_639478806	293.408	RPPDCIUNPQXPFQ-UONOGXRCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054269
CC[C@@H]1CN(C[C@H]2CCc3ncnn23)CCN1CCOC	ZINC22_639478807	293.408	RPPDCIUNPQXPFQ-ZIAGYGMSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054270
CN(CC1CCc2n1ncn2)CCN1C[C@H](C)O[C@@H](C1)C	EMOLS-id_316089235,MCULE-9796742736	293.408	WDSYSOXWINPBTB-PBWFPOADSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054271
CN(CCc1nccs1)C(=O)c1nc2c(s1)CCC2	ZINC22_415344321,MCULE-9972721982,EMOLS-id_316912515	293.408	WGTUYGBYJSOSQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054272
COCCCN1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_258182136,MCULE-3846354949	293.408	BRONPDKCPITFNT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054273
COCCN1CCN(CC1CC)CC1CCc2n1ncn2	EMOLS-id_316089745,MCULE-8711585054	293.408	RPPDCIUNPQXPFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054274
NC(CC(C)(C)C)CC(=O)NC(c1nnc2n1CCC2)C	PC-id_116274678	293.408	HBYRIZYOUSDNHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054275
NC(CC(C)(C)C)CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_116275012	293.408	JPUMXQYJFVCSQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054276
NCC(C(=O)NC(c1nnc2n1CCC2)C)CC(C)(C)C	PC-id_107471278	293.408	SZZUUNQKIYDSDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054277
NCC(C(=O)N(Cc1nnc2n1CCC2)C)CC(C)(C)C	PC-id_107471615	293.408	JKNWZFLHOSLJHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054278
N[C@@H](C(=O)NCc1nc2c(s1)CCC2)c1cccs1	ZINC22_719527681	293.408	FUVSYUHWUBFKDB-GFCCVEGCSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054279
N[C@H](C(=O)NCc1nc2c(s1)CCC2)c1cccs1	ZINC22_719527683	293.408	FUVSYUHWUBFKDB-LBPRGKRZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054280
O=C(c1c(C)nsc1C)NCc1sc2c(n1)CCC2	EMOLS-id_318510564	293.408	SUKSKPAHWXHDCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054281
O=C(c1csnc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181785	293.408	DIAAWQBLWLHQTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054282
O=C(c1sc(c(n1)C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318615474	293.408	GIPMSRYFLTXQDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054283
O=C(Cc1cncs1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318568157	293.408	NRWJSHCDYQETLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054284
O=C(C(c1nccs1)(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_319727605	293.408	YVSBVYAVNVVEDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054285
O=C(Cc1nc(sc1C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318624038	293.408	LPIZXECMGPVHHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054286
O=C(Cc1sc(nc1C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318515158	293.408	QWXLRSCOMNZRCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054287
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cc1cscn1	EMOLS-id_318719142	293.408	OBLHYXRCLYUOAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054288
O=C(NC(c1n2CCCc2nn1)C)CC(CC(C)C)CN	PC-id_65524561	293.408	RNUCLTVBJPGBBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054289
O=C(N(Cc1n2CCCc2nn1)C)CC(CC(C)C)CN	PC-id_65526549	293.408	KQXXPSUHNRZMQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054290
O=C(N(Cc1n2CCCc2nn1)C)CCC(CCN)CC	PC-id_64342687	293.408	BSDNWZVXRNIAQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054291
O=C(NC(c1n2CCCc2nn1)C)CCC(CCN)CC	PC-id_64345018	293.408	OZCFHCUKKSKVGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054292
O=C(NC(c1n2CCCc2nn1)C)CCC(CCN)(C)C	PC-id_65290789	293.408	TXGOPNRWIZEZSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054293
O=C(NC(c1n2CCCc2nn1)C)C(CCCC(N)C)C	PC-id_65290790	293.408	HKAJCIBHVLEPGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054294
O=C(N(Cc1n2CCCc2nn1)C)CCC(CCN)(C)C	PC-id_65292088	293.408	YPLLUXXFJYIOJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054295
O=C(N(Cc1n2CCCc2nn1)C)C(CCCC(N)C)C	PC-id_65292089	293.408	LDNIYDVGNKETDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054296
O=C(NC(c1n2CCCc2nn1)C)C[C@H](CC(C)C)CN	PC-id_65524562	293.408	RNUCLTVBJPGBBO-KIYNQFGBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054297
O=C(N(Cc1n2CCCc2nn1)C)C[C@H](CC(C)C)CN	PC-id_65526550	293.408	KQXXPSUHNRZMQJ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054298
s1c2CCCc2cc1CNC(=O)c1nc(sc1)CN	PC-id_66378252	293.408	XWHGVXWNCFZWQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054299
s1c2CCCc2cc1CNC(=O)c1sc(nc1C)N	PC-id_62792426	293.408	FGNSJWQEUSGBDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054300
s1c2CCCc2cc1CNC(=O)Cc1nc(sc1)N	PC-id_62800337	293.408	MHYIRCLSHXWNIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054301
s1c2CCCc2cc1C(=O)Nc1sc(nn1)C(C)C	PC-id_51241898	293.408	MWCDGYKRXAVCSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054302
s1c2c(CCC2)c(c1NC(=O)C1NCCSC1)C#N	PC-id_82908832	293.408	MJLIAFPAUSUWLT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054303
s1c2CCCc2c(c1NC(=O)NCCC[NH+](C)C)C#N	PC-id_8070018	293.408	NAMXICWCHZWCAS-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-054304
s1c2CCCc2nc1Nc1n(nc(c1C(=S)N)C)C	PC-id_63756370	293.411	BLLCRWUJCCLKAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054305
CC1CC(CN(C1)C(=O)c1c(c2c(s1)CCC2)OC)C	PC-id_91956539	293.424	CVFRKSYSOOSQEN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054306
CCC1(CO)CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_109908432	293.424	OINFXYFKXBXGLR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054307
CCCCCCCCCCc1scc2c1C(=O)NC2=O	PC-id_141276456	293.424	SEOMOUFNXXRJJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054308
CC(CCCC(C)C)CCN1C(=O)c2c(C1=O)csc2	PC-id_101511565	293.424	DCAZZGIMGXRAFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054309
CCCCCCCCCCN1C(=O)c2c(C1=O)csc2	PC-id_141272015	293.424	GOQPWTQCXWVPRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054310
CCCCCCCCC(N1C(=O)c2c(C1=O)csc2)C	SCHEMBL18517127	293.424	MFXZUEJFNQUDPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054311
CCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16252144,PC-id_117708800	293.424	LMENSJXHYCBMMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054312
CCCCC(CN1C(=O)c2c(C1=O)c(sc2C)C)CC	SCHEMBL16356252,PC-id_117787865	293.424	QGQCXIKZGABRBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054313
CCCCN1C(=O)c2c(C1=O)c(sc2CC)C(C)(C)C	PC-id_145553391	293.424	QRVQDTIMIAGGJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054314
O1CCC(CC1)N1CC[C@H](C1)OC1CCc2c1scc2	PC-id_71192975,SCHEMBL14529011	293.424	MEBDQZCXIJINLI-GICMACPYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-054315
OC1CCCCC1CN(C(=O)c1sc2c(c1)CCC2)C	PC-id_110003401	293.424	FQYAOHCVSOGPGO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054316
OC1CCN(CC(C1)(C)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102785468	293.424	SOBLCYMDBXMRDJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-054317
OCC1(CCCCC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_115701166	293.424	RYKRTVSPXXJFEC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054318
OCC1CCC(CC1)N(C(=O)c1sc2c(c1)CCC2)C	PC-id_112361534	293.424	ZMEMGPOJXBSYHM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054319
s1c2c(CCC2)cc1C(=O)N(C1CCCCC1)CCO	PC-id_60741885	293.424	MMKDARAEURNYSP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054320
s1c2c(CCC2)cc1C(=O)NCC1C(CCCC1)CO	PC-id_65903365	293.424	XNLIYTCDSUJEJF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054321
s1c2c(CCC2)cc1C(=O)NCC1(O)CCC(CC1)C	PC-id_65119345	293.424	AFOJQFHFEHZDDQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054322
s1c2c(CCC2)cc1C(=O)NCC1(O)CC(CCC1)C	PC-id_65124291	293.424	JDMUFFQWGBDQAN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054323
s1c2c(CCC2)cc1C(=O)NCC1(O)CCCCCC1	PC-id_64458915	293.424	KKGBLIRROANQBU-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-054324
s1c2C(OC3CN(C4CCOCC4)CC3)CCc2cc1	PC-id_78025867	293.424	MEBDQZCXIJINLI-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-054325
s1c(C(=O)NC2(CC(CCC2)C)CO)cc2c1CCC2	PC-id_62525632	293.424	FQYCJQQDWNIADN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054326
s1c(C(=O)NC2(CCC(CC2)C)CO)cc2c1CCC2	PC-id_62525954	293.424	PBDPYAPBUZBUHU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054327
c1(C(=O)N)c2C(C)CCc2nn1C(C)C1CCSCC1	EMOLS-id_331019449,MCULE-8751491117	293.428	WOWADWBFFAEMTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054328
c1(C(=O)N(C)C)c2CSCc2nn1CC1CCCCC1	MCULE-1738837446,EMOLS-id_324398430	293.428	QZIREAMDGXFPQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054329
c1(NC(=O)C2CCCC2)c2CSCc2nn1C(C)(C)C	ZINC22_425756,MCULE-9458433539,EMOLS-id_5438605,PC-id_5102932,CoCoCo_4982343	293.428	XOHJGLRXSWDUKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054330
CC1(Cc2c(C1)sc(c2C=NN)C(=O)NC(C)(C)C)C	SCHEMBL14916741,PC-id_86683781	293.428	LNUPICLIALWXEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054331
CC1CN(CCC1NCc1sc2c(n1)CCC2)C(=O)C	MCULE-6150428905,EMOLS-id_318278332	293.428	WAIVWUUUEULYDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054332
CCSC1CCCC(C1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_49089209,MCULE-3033473082,PC-id_71979340	293.428	ZTLQUJYVTAYDDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054333
CCSC1CCCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-5385261777,PC-id_71931652,EMOLS-id_45649326	293.428	ZZASWXLIQAQEMK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054334
CCS[C@H]1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1	PC-id_97591351,ZINC22_96451533	293.428	ZTLQUJYVTAYDDM-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054335
CCS[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1	PC-id_97591352,ZINC22_96451534	293.428	ZTLQUJYVTAYDDM-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054336
CCS[C@H]1CCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1	PC-id_97591353,ZINC22_96451535	293.428	ZTLQUJYVTAYDDM-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-054337
CCS[C@@H]1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1	ZINC22_96451532,PC-id_97591350	293.428	ZTLQUJYVTAYDDM-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054338
CCS[C@@H]1CCCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_89275143	293.428	ZZASWXLIQAQEMK-LLVKDONJSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054339
CCS[C@H]1CCCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_89275144	293.428	ZZASWXLIQAQEMK-NSHDSACASA-N	00000010100000000101000010000000000000000000000000000000	25-01-054340
CN1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1	ZINC22_193905422,MCULE-3823850549,EMOLS-id_316762816	293.428	RJJHGZMINYWEFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054341
CN(CC1(N(C)C)CCC1)C(=O)c1nc2c(s1)CCC2	EMOLS-id_316914565,ZINC22_415505779,MCULE-2544270418	293.428	QOGLIMSTPWXYKF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-054342
NCC1(CCCCC1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_104678033	293.428	SASYDRUTMISWHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054343
NCC1(CCC(CC1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_115441976	293.428	ARXKUFAWWPVRFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054344
NCC1(CCCCCC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_115444050	293.428	LBNHMGRXNWDHBH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054345
N/N=Cc1c(sc2c1CC(C2)(C)C)C(=O)NC(C)(C)C	SCHEMBL14916739	293.428	LNUPICLIALWXEA-IUXPMGMMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054346
O=C1C(NCc2sc3c(n2)CCC3)CCN1C(C)(C)C	MCULE-5344558635,EMOLS-id_318000559	293.428	IVRWLTJUYAPJMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054347
O=C(C1NCC(C1)(C)C)NCCc1sc2c(n1)CCC2	EMOLS-id_318853953	293.428	NINAGBRYZBPFLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054348
O=C(c1sc2c(c1)CCC2)NCCCN1CCNCC1	EMOLS-id_301229947,PC-id_43443281,MCULE-9832790904	293.428	UDEHPZMPNJHCNT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054349
s1c2c(CCC2)cc1CNCC(=O)N1CCN(CC1)C	PC-id_61207250	293.428	KAMXKRNYEQLHTH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054350
s1c2c(CCC2)cc1CNC(=O)CN1CCCNCC1	PC-id_62838905	293.428	XTCHNKKMTCGPBP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054351
s1c2c(CCC2)cc1CNC(=O)CN1CCC(N)CC1	PC-id_79328323	293.428	QFBLOTPUANFGTM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054352
s1c2c(CCC2)cc1C(=O)N(CCN1CCNCC1)C	PC-id_63265752	293.428	LGKFRASBDRQUSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054353
s1c2CCCc2nc1CN1CCN(CC1)C(=O)CCC	PC-id_44060333	293.428	PTASEXTZVWSRJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054354
s1c2CCCc2nc1CN1CCN(CC1)C(=O)C(C)C	PC-id_44060334	293.428	KAAVTUYGDFBGPC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054355
s1c2CCCc2nc1NC(=O)C(C1CCCNC1)(C)C	PC-id_83031342	293.428	FOMNFGLABLRVBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054356
s1c2CCCc2nc1NC(=O)CC1(NC)CCCCC1	PC-id_65242033	293.428	MMQIYYWDONXBPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054357
s1c2CCCc2nc1NC(=O)CC(C1CCCNC1)C	PC-id_81043592	293.428	KOOKDAJIXYEIIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054358
s1c(NC(=O)C2(CCCNC2)CCC)nc2CCCc12	PC-id_63134968	293.428	URLIYEXVCVIHSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054359
s1c(NC(=O)C2(CCNCC2)CCC)nc2CCCc12	PC-id_63129166	293.428	HCARVCJUPYRHFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054360
CC1CCCN(C1)C(=NCCc1cn2c(n1)SCC2)N	PC-id_120363214	293.431	DITBOWCDRUQTLT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054361
CC1CCN(CC1)C(=NCCc1nc2n(c1)CCS2)N	PC-id_120363212	293.431	CRGJKDYNWAPQEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054362
NC(=NCCc1cn2c(n1)SCC2)N1CCCCCC1	PC-id_120363226	293.431	FDNASBYCVSWHLH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054363
NC(=NCCc1cn2c(n1)SCC2)NC1CCCCC1	PC-id_120363268	293.431	OZZBGXDUVUKAHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054364
NC(=NCCN1CCNCC1)c1c(N)sc2c1CCC2	PC-id_144415557	293.431	WJCZZEOFWAGSQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054365
N#Cc1nc2n(c1C)C[C@H](O2)CO[Si](C(C)(C)C)(C)C	PC-id_140261651	293.437	YNJJTAMQEGCERK-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-054366
n1(c2CC(Cc2cc1CCC)CCC=C)Cc1ccccc1	PC-id_53387453	293.446	WLNRLUJOLGFDHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054367
s1c2c(CCC2)cc1CNCc1oc(cc1)CSC	PC-id_61207593	293.447	XYEZPMRJRZGCPL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-054368
s1c2c(CCC2)cc1C(=O)NC1CC[NH+](CC1)CCC	PC-id_9264828	293.448	ZTMOHAZGDITTLV-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-054369
Cc1cnc(s1)C(NCc1sc2c(n1)CCC2)(C)C	MCULE-2323526738,EMOLS-id_318276284	293.451	SDOHKYISNMPFEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054370
Cc1csc(n1)C(NCc1sc2c(n1)CCC2)(C)C	MCULE-5538627238,EMOLS-id_318275772	293.451	UCISRNFHHPTQRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054371
Cc1nc(c(s1)C)C(NCc1sc2c(n1)CCC2)C	EMOLS-id_318657482,MCULE-1588833525	293.451	PRJJDHQDSJBOKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054372
Cc1sc(c(n1)C)C(NCc1sc2c(n1)CCC2)C	EMOLS-id_318756890,MCULE-3624058488	293.451	BRKOTEVZUBYDNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054373
CCCNC(c1sc2c(n1)CCC2)c1csc(n1)C	PC-id_116084241	293.451	LNTVQHSRBTUMBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054374
CCCNC(c1sc2c(n1)CCC2)c1scc(n1)C	PC-id_104771056	293.451	BXBSCWJHPJXESR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054375
CC(NC(c1sc2c(n1)CCC2)c1csc(n1)C)C	PC-id_116084257	293.451	SSQOOVYWVAPDTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054376
CC(NC(c1sc2c(n1)CCC2)c1scc(n1)C)C	PC-id_104771068	293.451	MAASHEFNGUYNGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054377
NC(c1sc2c(n1)CCC2)c1csc(n1)C(C)(C)C	PC-id_116084180	293.451	SBTMMINPKQNVPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054378
NNC(c1sc2c(c1)CCC2)Cc1sc(c(n1)C)C	PC-id_105326775	293.451	UYTXVZXGVCWJJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054379
s1c2CCCc2cc1CNc1snc(n1)C(C)(C)C	PC-id_65276591	293.451	JQJBPBHSAWRKBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054380
CCCNC(c1sc2c(c1)CCC2)CC1CCOCC1	PC-id_115846731	293.467	NOSZEWMQYLQAQI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054381
CCCNC(c1sc2c(c1)CCC2)CCC1CCCO1	PC-id_104993589	293.467	ZNJORMRAAVWPPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054382
CCNC(c1sc2c(c1)CCC2)CCCC1CCCO1	PC-id_104993440	293.467	WPDXYMSRSRYFHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054383
CNC(C1CC(OC1(C)C)(C)C)c1sc2c(c1)CCC2	PC-id_105052730	293.467	YDSPYBTZZSYMKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054384
s1c(CNC2C(C(OCC)C2)(CC)C)cc2c1CCC2	PC-id_65167498	293.467	KWLQZCPKJMJBJA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-054385
s1c2c(nc1C(N1CCNCC1)CCC)C(CC2)(C)C	PC-id_79856986	293.471	OYLKLDZXIIENHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054386
CCCC1CC(c2c1cc(s2)C(CC)(CC)N)(C)CC	PC-id_91502879	293.51	ZPRLSPZGMOWBGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054387
CCCCC(CC(c1sc2c(c1)CCC2)NCC)CC	PC-id_115806851	293.51	UMRHBNDCMFEBNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054388
Cc1cc2c(s1)C(C(=C2C)C)[Si](NC(C)(C)C)(C)C	PC-id_142732332	293.543	HDWHSFJWMJJACC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-054396
Clc1cc(oc1)C(=O)c1n2c(C(CC2)C(=O)O)cc1C	SCHEMBL11663508,PC-id_20356118	293.702	YYAYKQQDNHMCDM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-054397
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccoc1	PC-id_20528109,SCHEMBL11271934	293.702	JRNSSRIUPUKCDH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-054398
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1occc1	SCHEMBL11277314,PC-id_20528119	293.702	XHMYBBFZKJNQFT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-054399
Clc1c(occ1)C(=O)c1n2c(C(CC2)C(=O)O)cc1C	PC-id_20356171,SCHEMBL11662434	293.702	GMMRMHNCYLTJMK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-054400
Clc1oc(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cc1	SCHEMBL11665313,PC-id_20356122	293.702	SATFUTQASDDOME-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-054401
O=[N+]([O-])c1ccc(NCc2nnc3n2CCC3)c(Cl)c1	EMOLS-id_17184067,CoCoCo_4556072,MCULE-4233038636,ZINC22_12805426,PC-id_24607026	293.709	GMXDLPVDTXYURR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054402
c12CN(Cc1nn(CC1CCC1)c2Cl)CC(F)(F)F	EMOLS-id_324340847,MCULE-5827492909	293.716	JRXNDECCRJYTLD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-054403
Clc1cc(CC2CCc3c2[nH]c(c3)C(=O)O)cc(F)c1	PC-id_59180179,SCHEMBL2077148	293.721	YVOWQAFPASIURF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054404
Clc1cc(CC2CCc3[nH]c(cc23)C(=O)O)ccc1F	SCHEMBL1004610,PC-id_59180050	293.721	QFNDMZYWQQHIDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054405
Clc1cc(CC2CCc3[nH]c(cc23)C(=O)O)cc(F)c1	SCHEMBL2075867,PC-id_59180156	293.721	UCQNATQBTBYELM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054406
c1(C(=O)Nc2ccc(c(Cl)c2)F)c2CCCc2n(C)n1	PC-id_110389090,MCULE-5852806700,EMOLS-id_179745334	293.724	OFYURBZYNUIHIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054407
Clc1ccc(c(c1)F)CNC(=O)c1cnc2n1CCC2	EMOLS-id_318449009	293.724	GHUOHPVLXWRXNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054408
Clc1ccc(c(c1)F)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318461450	293.724	PSACUROIUSLOLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054409
Clc1ccc(c(c1)F)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_318668669	293.724	KLPTXJSNFLXACP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054410
Fc1ccc(c(c1)Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319614169	293.724	HWFJSOXDXGDLGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054411
Fc1ccc(c(c1)Cl)C(=O)NCc1n[nH]c2c1CCC2	MCULE-2120138592,EMOLS-id_319902359	293.724	UBEHPCZAAWKQHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054412
Fc1cccc(c1CNC(=O)c1cnc2n1CCC2)Cl	EMOLS-id_318491405	293.724	FEHHYCOPBMKQHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054413
Fc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)Cl	EMOLS-id_319364950	293.724	YAXVJFBPZVRDSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054414
Fc1cc(Cl)cc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319872815	293.724	YXDMULTWORJUIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054415
O=C(c1cc2n(n1)CCC2)NCc1ccc(c(c1)Cl)F	EMOLS-id_318741450	293.724	MYGIGKCNQWHJCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054416
O=C(c1cc2n(n1)CCC2)NCc1c(F)cccc1Cl	EMOLS-id_318648148	293.724	IEDRRNWYGUCFLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054417
O=C(c1ccc(c(c1)Cl)F)NCc1n[nH]c2c1CCC2	MCULE-3735268758,EMOLS-id_320019538	293.724	HNUHUDPSLVPYMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054418
O=C(c1ccc(c(c1)F)Cl)NCc1cnc2n1CCC2	EMOLS-id_318885825	293.724	XUKQWJBURPYZAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054419
O=C(c1cccc(c1F)Cl)NCc1cnc2n1CCC2	EMOLS-id_320312460,MCULE-8829560799	293.724	UUFINVJJTGEXDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054420
O=C(c1c(F)cccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_318774970	293.724	UCOIFKDBLIJMKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054421
O=C(c1cnc2n1CCC2)NCc1ccc(c(c1)Cl)F	EMOLS-id_318432366	293.724	GLEFBTLAPNPHQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054422
O=C(c1cnc2n1CCC2)NCc1cccc(c1F)Cl	EMOLS-id_318472240	293.724	XBJDPSJDFSVEPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054423
O=C(c1cnn2c1CCC2)NCc1ccc(c(c1)Cl)F	EMOLS-id_318629520	293.724	FZOILYLAGBWAHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054424
O=C(c1cnn2c1CCC2)NCc1cccc(c1F)Cl	EMOLS-id_318587699	293.724	HZKMVDROBSRMKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054425
O=C(c1cnn2c1CCC2)NCc1c(F)cccc1Cl	EMOLS-id_318601842	293.724	HCLNJDVYUSFQQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054426
O=C(c1nn2c(c1)CCC2)NCc1cccc(c1F)Cl	EMOLS-id_318737352	293.724	VOKPTDZBNNNUBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054427
O=C(Cc1cccc(c1F)Cl)NC1CCn2c1ncc2	PC-id_145878309,EMOLS-id_316903015,MCULE-4399444611	293.724	KLRJZZUPJGVIRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054428
Cc1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324844259	293.729	YRUWNOWIWBRHAJ-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-054429
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)C	MCULE-9984717876	293.729	YRUWNOWIWBRHAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-054430
Clc1sc2c(S(=O)(=O)N(CCCC=O)C2=O)c1	PC-id_49874993	293.747	KJOIMNFLXBNIPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054431
COc1cc(Cl)c(cc1NC1CCn2c1ncc2)OC	EMOLS-id_318483899,MCULE-1006290141	293.749	MENAKOQDHVTOOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054432
COc1cc(NC2CCn3c2ncc3)cc(c1Cl)OC	EMOLS-id_318304265,MCULE-3783427961	293.749	YNIYRSJQSBUDAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054433
COc1cc(OC)c(c(c1)NC1CCn2c1ncc2)Cl	EMOLS-id_318314842,MCULE-3598724286	293.749	RLDHRRWPNGXIDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054434
OCCc1cc(OCc2nnc3n2CCC3)cc(c1)Cl	EMOLS-id_318888553	293.749	RQOCWQVYYPXNSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054435
CC(C(=O)NCc1n[nH]c2CCCc12)n1cc(Cl)cn1	EMOLS-id_177368434,PC-id_121495625,MCULE-2934311256	293.752	UVPUURGCLAOURF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054436
C[C@H](C(=O)NCc1n[nH]c2c1CCC2)n1cc(Cl)cn1	ZINC22_426381807	293.752	UVPUURGCLAOURF-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054437
C[C@@H](C(=O)NCc1n[nH]c2c1CCC2)n1cc(Cl)cn1	ZINC22_426381809	293.752	UVPUURGCLAOURF-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054438
CC(n1nc(c(c1)Cl)NC(=O)c1cc2n(n1)CCC2)C	EMOLS-id_318679943	293.752	AJPLMMXZBLTILK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054439
CCn1ncc(c1C(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_318810172	293.752	ALPJKRNOPSZOIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054440
CCOc1nc(ncc1Cl)NC1CC(n2c1ncc2)C	MCULE-5869564203,EMOLS-id_318149590	293.752	XTFFYEDJJGEIAB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054441
Clc1cn(nc1NC(=O)c1cnc2n1CCC2)C(C)C	EMOLS-id_318639967	293.752	HCHLURQOJPCRAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054442
Clc1cn(nc1NC(=O)c1cnn2c1CCC2)C(C)C	EMOLS-id_318738284	293.752	JARLXOSRLCBWKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054443
O=C(c1nn(c(c1Cl)C)C)NCc1cnc2n1CCC2	EMOLS-id_319483267	293.752	VQOGSQKTHJFQTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054444
O=C(c1nn(c(c1Cl)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318994750	293.752	DMPUISHYEASSIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054445
O=C(Cc1c(Cl)cnn1C)NCc1cnc2n1CCC2	MCULE-6388584632,EMOLS-id_319889341	293.752	RXKUBAAUCLCUBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054446
O=C(Cc1c(Cl)cnn1C)NCc1n[nH]c2c1CCC2	EMOLS-id_320122463,MCULE-6345565991	293.752	SABPERPAWQZOCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054447
O=C(CCn1ncc(c1)Cl)NCc1cnc2n1CCC2	EMOLS-id_318816352	293.752	MIAPTSQOJHPHSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054448
ClCCN(C(=O)c1sc2c(c1)CCC2)CC(F)F	PC-id_107491108	293.76	DVMKZKKPAHHRGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054449
CC1CCc2c1c(CN)nn2Cc1cccc(Cl)c1F	EMOLS-id_331014386,MCULE-5114710116	293.767	KEUPDXWRLWYAEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054450
CC1CCc2c1c(CN)nn2Cc1cccc(F)c1Cl	MCULE-2609584582,EMOLS-id_331016433	293.767	DZWAPOZPICVSHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054451
CC1CCc2c1c(CN)nn2Cc1ccc(Cl)cc1F	MCULE-3519497582,EMOLS-id_331014898	293.767	UEBINGNNBGASDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054452
CC1CCc2c1c(CN)nn2Cc1ccc(Cl)c(F)c1	EMOLS-id_331016434,MCULE-7517482141	293.767	GVRVMNBPDZMTEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054453
CC1CCc2c1c(CN)nn2Cc1ccc(F)cc1Cl	EMOLS-id_331015921,MCULE-3621730056	293.767	SFHGWQNNDAEGAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054454
CC1CCc2c1c(CN)nn2Cc1ccc(F)c(Cl)c1	MCULE-1582408946,EMOLS-id_331018225	293.767	TUAWZWYBFGCVFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054455
CC1CCc2c1c(CN)nn2Cc1cc(F)ccc1Cl	MCULE-5781422522,EMOLS-id_331016177	293.767	RIUMLPOVSTZZHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054456
CC1CCc2c1c(CN)nn2Cc1cc(F)cc(Cl)c1	MCULE-5302266774,EMOLS-id_331014642	293.767	MUVRTMASOVHFGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054457
CC1CCc2c1c(CN)nn2Cc1c(F)cccc1Cl	MCULE-2553289362,EMOLS-id_331015665	293.767	IWRYINKEQXWQKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054458
CC1CC(c2n1ccn2)NCCc1c(F)cccc1Cl	MCULE-2217405546,EMOLS-id_318407916	293.767	XIIOKTYMYQKUMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054459
CC1CCc2nn(Cc3cccc(Cl)c3F)c(CN)c12	MCULE-2133230667,EMOLS-id_330996156	293.767	LVVABUPJKAADCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054460
CC1CCc2nn(Cc3cccc(F)c3Cl)c(CN)c12	MCULE-9916776420,EMOLS-id_330994108	293.767	SJRQLRLLSXGPLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054461
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(CN)c12	EMOLS-id_330996668,MCULE-6017132639	293.767	BPACDGDZNQAHSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054462
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(CN)c12	EMOLS-id_330994109,MCULE-9759969974	293.767	WCTFYTONVKMXEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054463
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(CN)c12	EMOLS-id_330997691,MCULE-5346054830	293.767	VXIWWEGITINYSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054464
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(CN)c12	EMOLS-id_330995900,MCULE-1579338711	293.767	UXOVNCVCSRZAQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054465
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(CN)c12	EMOLS-id_330993852,MCULE-4835630756	293.767	OCZHKORBFXHLFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054466
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(CN)c12	MCULE-2382433269,EMOLS-id_330996412	293.767	VHQSMZSTUXLFLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054467
CC1CCc2nn(Cc3c(F)cccc3Cl)c(CN)c12	EMOLS-id_330997435,MCULE-8941581977	293.767	BBAYIRSBJUSRCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054468
CC(c1cc2n(n1)CCC2)NCc1ccc(c(c1)Cl)F	EMOLS-id_318372677,MCULE-9735734377	293.767	QCDARGGLNKWIJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054469
CC(c1cc2n(n1)CCC2)NCc1c(F)cccc1Cl	MCULE-8385253174,EMOLS-id_318102519	293.767	WUPKMGNRSWQTLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054470
CC(c1ccc(c(c1)Cl)F)NCc1cnc2n1CCC2	EMOLS-id_318386947,MCULE-7393984320	293.767	SEGFZFUNMBYYSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054471
CC(c1ccc(c(c1)F)Cl)NCc1cnc2n1CCC2	EMOLS-id_318634504,MCULE-1389553657	293.767	QCWIHCRVVCBZFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054472
CC(c1c(F)cccc1Cl)NCc1cnc2n1CCC2	MCULE-9033594284,EMOLS-id_318110528	293.767	BNXFDWSQKGNKPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054473
CC(c1nn2c(c1)CCC2)NCc1cccc(c1F)Cl	MCULE-1412754022,EMOLS-id_318761633	293.767	CEYLCNSZTFAQOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054474
Clc1ccc(c(c1)F)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318499954,MCULE-7238957014	293.767	SBSDBDPKVPXHHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054475
Fc1ccc(c(c1)Cl)CCNC1CC(n2c1ncc2)C	MCULE-2442025771,EMOLS-id_318089119	293.767	DEZQVRXBEADDIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054476
Fc1ccc(c(c1)Cl)[C@@H](NCc1cnc2n1CCC2)C	EMOLS-id_318393088,MCULE-4127970667	293.767	OPBAWOAQIBHWMM-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-054477
Fc1ccc(c(c1)Cl)[C@H](NCc1cnc2n1CCC2)C	EMOLS-id_318393344,MCULE-6897309159	293.767	OPBAWOAQIBHWMM-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054478
Fc1ccc(c(c1)Cl)C(NCc1cnc2n1CCC2)C	EMOLS-id_318237791,MCULE-8290582013	293.767	OPBAWOAQIBHWMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054479
Fc1ccc(c(c1)Cl)C(NCc1nn2c(c1)CCC2)C	EMOLS-id_318098350,MCULE-6816386963	293.767	KIPWLOODXMLPNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054480
Clc1ccc(c(c1)NC(=O)c1sc2c(c1)CCC2)O	PC-id_86978280	293.769	YFLFLWZQXOJCDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054481
Clc1c(NC(=O)c2sc3CCCc3c2)ccc(O)c1	PC-id_64787548	293.769	WQDOYYYBWTWOAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054482
Clc1c(O)cc(NC(=O)c2sc3CCCc3c2)cc1	PC-id_64789050	293.769	VUFUWLVVAFUDME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054483
Clc1sc2CCC(Nc3cc(ccc3)C(=O)O)c2c1	PC-id_81251405	293.769	QPWAMULUINHOJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054484
Clc1sc2CCC(Nc3c(cccc3)C(=O)O)c2c1	PC-id_81251596	293.769	CVOBQFULOUNCEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054485
Clc1sc2CCC(Nc3ccc(cc3)C(=O)O)c2c1	PC-id_81252891	293.769	LZDILSHIDMGXNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054486
O=C(Nc1ccc(O)c(Cl)c1)c1cc2c(s1)CCC2	ZINC22_85204498,PC-id_64786945,EMOLS-id_177192813	293.769	VTJZJCGKZZHRJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054487
OC(=O)C1CCc2c1nc(s2)Cc1ccccc1Cl	PC-id_104287228	293.769	BZELIPIHVVFVRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054488
OC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1)Cl	PC-id_104287313	293.769	BTKUXPOTPNVESR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054489
OC(=O)C1CCc2c1nc(s2)Cc1cccc(c1)Cl	PC-id_104287336	293.769	NSXYBAPMZBIJGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054490
C1Cc2c(C1)sc(c2C(=O)Nc1cnc(cc1)Cl)N	PC-id_135200333,SCHEMBL20353914	293.772	OOVFBGSZYNWRRG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-054491
c1(NC(=O)c2ccccc2Cl)n(C)nc2CSCc12	EMOLS-id_334565300,MCULE-8731842948	293.772	ZDAHTGXTTXEYLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054492
c1(NC(=O)c2ccc(cc2)Cl)n(C)nc2CSCc12	MCULE-8870388017,EMOLS-id_334564020	293.772	MCXNFUDWWAZFBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054493
c1(NC(=O)c2cccc(Cl)c2)n(C)nc2CSCc12	STOCK7S-25514,ZINC22_72401749,MCULE-6951319134,EMOLS-id_36794305,PC-id_60176497	293.772	NVWSVMDPPIZOAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054494
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCC2)n1	EMOLS-id_181473472,PC-id_84559836,MCULE-6012091917	293.772	AWAVKJJSKNMSBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054495
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)n1	EMOLS-id_181473517,PC-id_84559999,MCULE-4343758166	293.772	XPAYPWOBSSSBTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054496
Cc1nc(Cl)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104122856	293.772	BJYIDOCSXVBUDX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054497
Cc1nc(nc(c1)Cl)NC(=O)c1sc2c(c1)CCC2	PC-id_113220839	293.772	XXLQEHDBHPZJNJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054498
Clc1ccc(CCCc2nn3c(SCC3=O)n2)cc1	PC-id_82358013	293.772	METBXMLBMRAGMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054499
Clc1ccc(nc1)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318542590	293.772	WAHUBUAOERCHHH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054500
Clc1cc(C(=O)Nc2sc3CCCc3n2)ccc1N	PC-id_64320150	293.772	ZVZTYBMBMFROSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054501
Clc1cc(C(=O)Nc2sc3CCCc3n2)cc(N)c1	PC-id_81550632	293.772	KGQILOIUVWDPKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054502
Clc1cc(C(=O)Nc2sc3CCCc3n2)c(N)cc1	PC-id_61507448	293.772	YXSRTPLFFOGKLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054503
Clc1ccnc(c1)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318407291	293.772	IFYKORNCDQPXOU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054504
Clc1cc(N)c(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_61507411	293.772	IBUVISLKJBTBIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054505
Clc1c(C(=O)Nc2sc3CCCc3n2)ccc(N)c1	PC-id_61507412	293.772	SUMPSPFDQJNUGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054506
Clc1c(C(=O)Nc2sc3CCCc3n2)cc(N)cc1	PC-id_61507371	293.772	IMGDFMXTJDCOSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054507
Clc1c(C(=O)Nc2sc3CCCc3n2)cnc(c1)C	PC-id_81226530	293.772	FEOLFVNPKBAIMI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054508
Clc1c(C(=O)Nc2sc3CCCc3n2)c(N)ccc1	PC-id_55244145	293.772	UWFXEOOMHGUZKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054509
Clc1c(N)cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_61507327	293.772	TVYZXSPSKAEQKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054510
Clc1cncc(n1)C(=O)NCc1sc2c(c1)CCC2	PC-id_113848453	293.772	VRWVZJAIYIAOOJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054511
Clc1ncc(nc1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318411657	293.772	QWMCBWHZGGHBCM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054512
Clc1ncc(nc1)C(=O)NCc1sc2c(c1)CCC2	PC-id_107256786	293.772	IUCKLHIDGJIPIP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054513
Clc1nnc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61216002	293.772	UMCNPNXAMKPPQM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054514
O=C(c1cccc(c1Cl)N)Nc1sc2c(n1)CCC2	PC-id_112575770	293.772	FBSKIZXXZNTCRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054515
O=C(c1cccc(c1N)Cl)Nc1sc2c(n1)CCC2	PC-id_115540524	293.772	JLMGOAANIGSBLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054516
O=C(c1ccncc1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318620552	293.772	FEYHMMGOOISAPA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054517
O=Cc1c(ncnc1Cl)NCc1sc2c(c1)CCC2	PC-id_106194047	293.772	KJAYPGJLNMBRML-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054518
O=C(c1ncccc1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318547198	293.772	WGKYVXWBJFDKPS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054519
O=C(c1sc2c(c1)CCC2)NCc1nccnc1Cl	EMOLS-id_318520686	293.772	NLXVOFSVOILTQD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054520
O=C(Cc1cnccc1Cl)Nc1sc2c(n1)CCC2	EMOLS-id_318470551	293.772	GLTABDFLLCIIGR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054521
O=C(Nc1sc2c(n1)CCC2)Cc1ccc(cn1)Cl	EMOLS-id_318654399	293.772	OCTANKLNXPQFRD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054522
O=Nc1sc(c2c1N(C)CC2)Nc1ccc(cc1)Cl	PC-id_122233831	293.772	QIZYYHGVHRMSSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054523
CCc1nn(c(c1CNC1CC(n2c1ncc2)C)Cl)C	MCULE-2531514851,EMOLS-id_318540873	293.795	OPQHPZXLMDKVFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054524
Clc1cc2c(s1)CCC2Nc1cc(C)c(cc1C)O	PC-id_106953767	293.812	KKCKSIANECOWRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054525
Clc1cc(C(N)c2sc3c(CCC3)c2)ccc1OC	PC-id_43464564	293.812	CHIDNXFAAUTHJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054526
Clc1cc(CNCc2sc3c(CCC3)c2)ccc1O	PC-id_61682253	293.812	WAHAMUIIPKSCGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054527
Clc1cc(CNCc2sc3c(CCC3)c2)c(O)cc1	PC-id_61206831	293.812	FNVSTBSRHFCIPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054528
Clc1c(C(N)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_43561840	293.812	LSZAOFJQXJQZAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054529
Clc1c(CNCc2sc3c(CCC3)c2)c(O)ccc1	PC-id_78960535	293.812	WWRVRKVSPNLJGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054530
Clc1sc2CCC(Nc3ccc(cc3)CCO)c2c1	PC-id_81251614	293.812	FCDQMNUBBHPAIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054531
Clc1sc2CCC(Nc3cc(ccc3)COC)c2c1	PC-id_81252785	293.812	VUFFGSPHZVXQFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054532
Clc1sc2CCC(Nc3c(cc(OC)cc3)C)c2c1	PC-id_81251622	293.812	REXCKQVLFCZUJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054533
Clc1sc2CCC(Nc3cc(c(OC)cc3)C)c2c1	PC-id_81251853	293.812	ZOPPXBGLXNPQPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054534
Clc1sc2CCC(Nc3ccc(OCC)cc3)c2c1	PC-id_81251819	293.812	VPEDBXCRJHPJJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054535
Clc1sc2CCC(Nc3c(c(O)c(cc3)C)C)c2c1	PC-id_81252792	293.812	YVBSSBNKLZWUFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054536
Clc1sc2CCC(Nc3c(COC)cccc3)c2c1	PC-id_81252385	293.812	XWYCEAUAZDWSRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054537
Clc1sc2CCC(Nc3cc(OCC)ccc3)c2c1	PC-id_81252589	293.812	RBEGUKFHEAXPDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054538
Clc1sc2CCC(Nc3c(OC)cc(cc3)C)c2c1	PC-id_81251419	293.812	ITOMGTGITWWVOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054539
Clc1sc2CCC(Nc3c(OC)ccc(c3)C)c2c1	PC-id_81252565	293.812	HTAYQXBOYLOOJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054540
Clc1sc2CCC(Nc3c(OCC)cccc3)c2c1	PC-id_81252262	293.812	UOHCZVKJICMJCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054541
Clc1sc2CCC(NCc3ccc(OC)cc3)c2c1	PC-id_81252770	293.812	GMYSDUSDNLWZFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054542
Clc1sc2CCC(NCc3cc(OC)ccc3)c2c1	PC-id_81253003	293.812	GRHKXTWCDAOISI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054543
Clc1sc2CCC(NCCOc3ccccc3)c2c1	PC-id_81251315	293.812	GTEUGCLJJCXTAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054544
Clc1sc2c(C(Nc3c(C(O)C)cccc3)CC2)c1	PC-id_81252186	293.812	XLIWOQPMLSCKFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054545
Clc1sc2c(C(NC(c3ccccc3)CO)CC2)c1	PC-id_81252704	293.812	JYTFXCALSPEZIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054546
Clc1sc2c(C(NC(c3cc(O)ccc3)C)CC2)c1	PC-id_81252586	293.812	CJDNRKUMTNJOPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054547
Clc1sc2c(C(NCc3c(OC)cccc3)CC2)c1	PC-id_81251931	293.812	VOBLPZKUZNRGLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054548
Clc1sc2c(C(NCCc3ccc(O)cc3)CC2)c1	PC-id_81251520	293.812	HQEJQWPFLYIATE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054549
Clc1sc2c(C(NCC(O)c3ccccc3)CC2)c1	PC-id_81252783	293.812	NPHJQJWREYMDCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054550
COc1ccc(cc1C(c1sc2c(c1)CCC2)N)Cl	PC-id_104545817	293.812	LBLAVTVGRFKIEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054551
COc1cc(ccc1Cl)C(c1sc2c(c1)CCC2)N	PC-id_105006813	293.812	VJAYXRIGAPMNLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054552
Oc1c(CNCc2sc3c(c2)CCC3)cccc1Cl	PC-id_112554714	293.812	TYPWUTDWHZQEEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054553
OCc1cccc(c1)CNC1CCc2c1cc(s2)Cl	PC-id_107229698	293.812	MDPQEYRUGJYHRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054554
OCc1ccc(cc1)CNC1CCc2c1cc(s2)Cl	PC-id_107229967	293.812	YFMMPZVLJZBVJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054555
OC[C@H](c1ccccc1)NC1CCc2c1cc(s2)Cl	PC-id_107862190	293.812	JYTFXCALSPEZIG-ZGTCLIOFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054556
OC[C@@H](c1ccccc1)NC1CCc2c1cc(s2)Cl	PC-id_107862562	293.812	JYTFXCALSPEZIG-ABLWVSNPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054557
Cc1c(Cl)nnc(c1C)NCc1sc2c(c1)CCC2	PC-id_106194036	293.815	MSJVQYLNMOYSSI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054558
Cc1ncc(c(n1)C)CNC1CCc2c1cc(s2)Cl	EMOLS-id_319092324	293.815	IYFFGNWZSJTMGX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054559
Cc1nc(NCc2sc3c(c2)CCC3)c(c(n1)Cl)C	PC-id_106194037	293.815	HVFCKXQOAOSUJY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054560
CC(c1ccncc1Cl)NCc1sc2c(n1)CCC2	MCULE-5591961672,EMOLS-id_318525866	293.815	SBQCGFXUFOVVAC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054561
CCc1c(ncnc1Cl)NCc1sc2c(c1)CCC2	PC-id_114156595	293.815	OQWFYQWMQUFCJT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054562
CCc1nc(NCc2sc3c(c2)CCC3)cc(n1)Cl	PC-id_114156601	293.815	JZCQNRRROMATSH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054563
Clc1ccc(nc1)C(NCc1sc2c(n1)CCC2)C	MCULE-2158676856,EMOLS-id_318398707	293.815	WNOPLAKVYIMXER-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054564
Clc1nc(C)c(nc1NCc1sc2c(c1)CCC2)C	PC-id_106194033	293.815	GLXNISNASSHCAP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054565
Clc1sc2CCC(Nc3ccc(nc3)N(C)C)c2c1	PC-id_81251840	293.815	AJTQCYKGSBKFLR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-054566
Clc1sc2CCC(Nc3c(N(C)C)ccnc3)c2c1	PC-id_81252481	293.815	YXORAULUOGYBDM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-054567
Clc1sc2CCC(Nc3c(N(C)C)nccc3)c2c1	PC-id_81252281	293.815	ZWYTVCXCCGCTLP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-054568
NNC(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_105314730	293.815	OJNVPAWLDJKWCG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-054569
CCS(=O)(=O)CCNC1CCc2c1cc(s2)Cl	PC-id_114110537	293.833	NHAJWXUYOVRYPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054570
Clc1cc2c(s1)CCC2NCCCS(=O)(=O)C	EMOLS-id_315608958,PC-id_81251962	293.833	HJDQSXMJROOHMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054571
Clc1sc2c(C(NC(CS(=O)(=O)C)C)CC2)c1	PC-id_81251974	293.833	VFPCFCFYUFLZCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054572
ClCCCS(=O)(=O)NCc1sc2c(c1)CCC2	EMOLS-id_38138809,PC-id_61209154	293.833	XITYBKRUYIVQCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054573
CC[n+]1c(SCc2ccc(cc2)Cl)cn2c1CCC2	CoCoCo_731823,PC-id_878707	293.835	JLWQFWFORDTJQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054574
C/C=C/1C(=C(C#N)C#N)C2=C(SC(=C2C1=O)Cl)Cl	PC-id_163853757	293.942	OWOUGRVTLWLGRP-QHHAFSJGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054578
BrC1Cn2c(C1=NO)ccc2Br	PC-id_297611	293.943	CUNJJGRBTCNFQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054579
BrC1Cn2c(/C/1=N/O)ccc2Br	PC-id_5967546	293.943	CUNJJGRBTCNFQH-JXMROGBWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054580
O/N=C
/[C@@H](Br)Cn2c1ccc2Br	CoCoCo_5509171	293.943	CUNJJGRBTCNFQH-MPVBDUHOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054581
O/N=C/1[C@H](Br)Cn2c1ccc2Br	CoCoCo_5509172,NSC168857	293.943	CUNJJGRBTCNFQH-XMJUWCGASA-N	00000010100000000000000010000000000000000000000000000000	25-01-054582
O/N=C
/[C@H](Br)Cn2c1ccc2Br	CoCoCo_5509173	293.943	CUNJJGRBTCNFQH-FMTFFBLSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054583
O/N=C/1[C@@H](Br)Cn2c1ccc2Br	LI_157238,CoCoCo_5509170	293.943	CUNJJGRBTCNFQH-OFOUNCDISA-N	00000010100000000000000010000000000000000000000000000000	25-01-054584
Brc1c2c(sc1Br)C(=O)C=C2	SCHEMBL4214913,PC-id_68958997	293.963	ZXOUOMMPYYLNQL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-054585
Brc1sc(Br)c2c1C(=O)C=C2	CoCoCo_5778849,NSC711740,SCHEMBL6518357,PC-id_400222	293.963	OQUIRJRSMXEUAH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-054586
C[C@]1(CC(C2=C1N=NS2)(C)C)I	PC-id_164081988	293.969	WYLMJADQLNYCNF-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054587
CC1(c2n[nH]nc2NC1=O)[I](C)C	PC-id_163647890	293.998	IJUNQHFGBLBXBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054588
C1CN2C=CC=C2C1(C(=O)C3=CC(=CS3)Cl)C(=O)[O-]	PC-id_152778729	294	BACIRMAFFXFANH-UHFFFAOYSA-M	00000010100100000000000010000000000000000000000000000000	25-01-054589
C1CSC2=NC(=CN21)CNC(=O)C3=CC(=NC=C3)Cl	MCULE-4756531178,PC-id_154755073,EMOLS-id_257917151	294.034	LGHLEFFQABZXJP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054590
COC(=O)C1[Se]c2c(C1)c[se]c2	PC-id_141501637	294.068	VRDRXJBDNSQMAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054591
CC1CCn2c1ccc2C(=O)Nc1c(c(c(cc1)F)F)F	PC-id_163967377	294.098	SMZLCFXDTISZCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054592
c12C(C)CCc1n(nc2I)CCF	MCULE-4563053800,EMOLS-id_330984435	294.108	MVCJERFYVWVNQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054593
c12C(C)CCc1nn(CCF)c2I	MCULE-7836649847,EMOLS-id_330965685	294.108	AETJWFFOYHVLJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054594
c1(C(=O)O)c2CCCc2sc1I	MCULE-6735408807,EMOLS-id_331059752	294.109	PBWWWWGDAQFTOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054595
c1(C(=O)O)c(I)c2c(CCC2)s1	EMOLS-id_330872128,MCULE-8930391456	294.109	UBEXRLKATWVWHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054596
c1(C(=O)N)c2CNCc2sc1I	MCULE-4500094146,EMOLS-id_331067182	294.113	BRIMXDFMRHJTMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054597
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3CCCO3)C	PC-id_160790720	294.133	SBUGFZYOMBCIJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054598
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)[C@@H]3CCCO3)C	PC-id_154267390	294.133	SBUGFZYOMBCIJU-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054599
Brc1cccc(OCc2nnc3n2CCC3)c1	PC-id_2373759,ZINC22_3257097	294.147	NKRSHNDFBIPDKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054600
CCOC(=O)c1cc2OC(COCC(F)(F)F)Cn2n1	PC-id_153545595,EMOLS-id_337763019	294.227	JDEFXBBINVKCNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054624
Brc1ccc(OCc2nnc3CCCn23)cc1	PD110932,CoCoCo_5873435,PC-id_3657419,MCULE-8656870962,BindingDB-id_83499,BindingDB_PC-id_3657419,EMOLS-id_42695837	294.147	DKQWRKBVUFBHJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054601
Brc1ccc(nc1)NCc1nnc2n1CCC2	EMOLS-id_318464084,MCULE-1928937056	294.15	WTZMYLVSNPFBEJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054602
Brc1cccnc1NCc1nnc2n1CCC2	EMOLS-id_318603883,MCULE-8490505539	294.15	NGWHOIBAPWMPOE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054603
Brc1ccnc(c1)NCc1nnc2n1CCC2	MCULE-7166675550,EMOLS-id_318387410	294.15	HMNHPMRXDGPCCU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054604
Brc1cncc(c1)NCc1nnc2n1CCC2	EMOLS-id_318401122,MCULE-5258374461	294.15	PRRJKNXIAIEJNW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054605
Brc1cnccc1NCc1nnc2n1CCC2	EMOLS-id_318702034,MCULE-5364786957	294.15	LDVSANAREIPAQY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054606
Brc1cnc(cn1)NCc1cnc2n1CCC2	MCULE-5574539629,EMOLS-id_317939081	294.15	DFFLIPPIDUCZAD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054607
c12CN(Cc1sc(CN)c2I)C	MCULE-5063894101,EMOLS-id_330873415	294.156	WCTYFNBDHVCAHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054608
c12CN(Cc1sc(I)c2CN)C	EMOLS-id_331064618,MCULE-1596524544	294.156	JBCCBXQJQCPUEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054609
c12CSCc1nn(CCC)c2I	EMOLS-id_324396633,MCULE-6032666795	294.156	OWMPYLKMFQCHFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054610
c1(CNC)c2CNCc2sc1I	MCULE-7108674260,EMOLS-id_331063343	294.156	GHFRDACNJQFOQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054611
Ic1sc2c(n1)CN(C2)C(C)C	SCHEMBL19454163	294.156	OGHFTEIKDZASKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054612
ICC1Sc2n(C1)c(c(n2)C)C	PC-id_50901115	294.156	CMIQTTQABNXSGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054613
C1CC2=NC(=CN2C1)C(=O)N[C@@H](CN3CCOCC3)CO	ZINC22_570454662,PC-id_164638992	294.169	ONKOTABRNFOZHF-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-054614
CC(C)N1C2=C(CN(C2)C(=O)OC(C)(C)C)N=C1C(=O)N	PC-id_153944135	294.169	DWQKBDASFHYRSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054615
CC1(CC(=O)C2=CC(=NN21)CO[Si](C)(C)C(C)(C)C)C	PC-id_162349415	294.176	OLOKBOTUMRIDAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054616
CC(C)C1=C2C(=NN1COCC[Si](C)(C)C)CCC2=O	PC-id_153319019	294.176	IAFSQEIZJWCXIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054617
Clc1ccc(cc1)C(=O)c1n2CCCc2c(c1C)Cl	PC-id_140336893	294.176	KMJBYOKKOSRKBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054618
Clc1sc(Cl)c2CN(Cc12)C(=O)OC(C)(C)C	SCHEMBL9182596,PC-id_18947037	294.197	IXSWBDDHAFWINB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054619
CCC1(CCC2=C1N=C(N2)C[C@@H](C)[C@H](CC(=O)N)O)NC	PC-id_163926457	294.206	REWZFEUIGKEBAB-LIGBGWOTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054620
Brc1ccc(Cc2nc3CCCc3s2)cc1	MCULE-7919272629,EMOLS-id_207611980	294.21	HNQYTZDZIJFOJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054621
Brc1cccc(Cc2nc3CCCc3s2)c1	MCULE-5473090534,EMOLS-id_207611987	294.21	XXDWBDWIZMFMCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054622
C1c2c(CN1Cc1ccccc1)sc(c2)Br	PC-id_91699423	294.21	HYCDARYPCZJHJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054623
CO/N=C
/c2sccc2[C@H](NC(=O)C(F)(F)F)[C@@H]1O	CoCoCo_5749135,ZINC22_5822596,NSC681955	294.25	AIOAAHDGQGMRHM-VYOZRIFASA-N	00000010100000000000000010000000000000000000000000000000	25-01-054625
CO/N=C
/c2sccc2[C@@H](NC(=O)C(F)(F)F)[C@@H]1O	ZINC22_104315595,PC-id_93489425,CoCoCo_5749139	294.25	AIOAAHDGQGMRHM-UFLDUZQOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054626
CO/N=C/1c2sccc2[C@@H](NC(=O)C(F)(F)F)[C@@H]1O	ZINC22_38807303,PC-id_98562514,CoCoCo_5749138	294.25	AIOAAHDGQGMRHM-MSRXKCSFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054627
CO/N=C/1c2sccc2[C@H](NC(=O)C(F)(F)F)[C@@H]1O	ZINC22_6379034,CoCoCo_5749142	294.25	AIOAAHDGQGMRHM-NZBLTHARSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054628
CO/N=C
/[C@H](O)[C@@H](c2c1scc2)NC(=O)C(F)(F)F	CoCoCo_5749136	294.25	AIOAAHDGQGMRHM-ZBUORWNRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054629
CO/N=C/1[C@H](O)[C@@H](c2c1scc2)NC(=O)C(F)(F)F	CoCoCo_5749137	294.25	AIOAAHDGQGMRHM-AYPVPSRKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054630
CO/N=C
/[C@H](O)[C@H](c2c1scc2)NC(=O)C(F)(F)F	CoCoCo_5749140	294.25	AIOAAHDGQGMRHM-LBPZBISESA-N	00000010100000000000000010000000000000000000000000000000	25-01-054631
CO/N=C/1[C@H](O)[C@H](c2c1scc2)NC(=O)C(F)(F)F	CoCoCo_5749141	294.25	AIOAAHDGQGMRHM-QIVASIMNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054632
s1c2c([C@H](NC(=O)C(F)(F)F)[C@H](O)C2=NOC)cc1	PC-id_387822	294.25	AIOAAHDGQGMRHM-FSPLSTOPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054633
s1c2c(C(NC(=O)C(F)(F)F)C(O)C2=NOC)cc1	PC-id_496201	294.25	AIOAAHDGQGMRHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054634
s1c2c(C(NC(=O)C(F)(F)F)C(O)/C/2=N/OC)cc1	PC-id_9571541	294.25	AIOAAHDGQGMRHM-UUASQNMZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054635
O=C(c1ccc(c(c1F)F)O)NC1CC(n2c1ncn2)C	EMOLS-id_319652036	294.257	HRYFITPELGMHCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054636
Cc1c(n2CCCc2c1)C(=O)Nc1cc(c(c(c1)F)F)F	SCHEMBL19900908,PC-id_134285197	294.272	HZFFYVJEMFUQDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054637
Fc1cc(/C=C/2Cn3c(C2=O)ccc3)ccc1n1ncnc1	GD-id_ZINC12823732,PC-id_25537747,CoCoCo_4629800,CoCoCo_4629801	294.283	RVWGOGCDAGODDV-WUXMJOGZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054638
Fc1cc(C=C2Cn3c(C2=O)ccc3)ccc1n1ncnc1	MCULE-9402728917,EMOLS-id_26235388,PC-id_72056142	294.283	RVWGOGCDAGODDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054639
O=C1/C(=Cc2ccc(n3cncn3)c(F)c2)/Cn2cccc12	PC-id_97748242,ZINC22_96947699	294.283	RVWGOGCDAGODDV-SDQBBNPISA-N	00000010100000110001100010000000000000000000000000000000	25-01-054640
Cn1c(=O)c(c[nH]c1=O)C(=O)Nc1onc2c1CSC2	PC-id_121025326	294.287	FWPBTBHHQJOVTQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-054641
[O-]C(=O)N1CCC(CC1)CN1CCn2c1c(cn2)[N+](=O)[O-]	SCHEMBL2522270,PC-id_67437952	294.287	PAAZPUTZXVPQTR-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-054642
s1c2CCCc2nc1NC(=O)Cn1nc(nc1)[N+](=O)[O-]	PC-id_47266772	294.29	XEKKMCBFYLONNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054643
c12CN(Cc1nn(CCF)c2CN(C)C)CC(F)(F)F	MCULE-9085346552,EMOLS-id_324353381	294.292	GMEKCINAMBJGAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054644
CC(CC(F)(F)F)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105944888	294.293	XSWRJRTXYQXKGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054645
CCN(c1nc2c(s1)CCC2C(=O)O)CC(F)(F)F	PC-id_104288093	294.293	XDQIWJGCXYOWQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054646
CCOC(=O)C1CCc2c1nc(s2)NCC(F)(F)F	PC-id_104287562	294.293	JECQICONBNGVDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054647
OC(=O)C1CCc2c1nc(s2)NCCCC(F)(F)F	PC-id_113395823	294.293	PTUYYKWHAYKGSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054648
OC(=O)C1CCc2c1nc(s2)N(CCC(F)(F)F)C	PC-id_104288980	294.293	RCCHUWRVCQVAMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054649
COc1cc(F)c(Cn2nc3CCC(C)c3c2O)c(F)c1	MCULE-5554138618,EMOLS-id_331005101	294.297	PEOANPMYFWTVAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054650
COc1cc(F)c(Cn2nc(O)c3C(C)CCc23)c(F)c1	MCULE-1770472068,EMOLS-id_330958832	294.297	ZPUWNUHJMVIALU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054651
Fc1cc(CNC(c2n3CCCc3nn2)C)cc(F)c1O	PC-id_79831198	294.3	MBVCELPKTIGPSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054652
FC(Oc1cc(ccc1C)NC1CC(n2c1ncn2)C)F	MCULE-3710052456,EMOLS-id_318620776	294.3	VIMIYYOCBWCVGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054653
FC(Oc1ccc(cc1NC1CC(n2c1ncn2)C)C)F	EMOLS-id_318709036,MCULE-8455832999	294.3	KLFQHJXFHGQEQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054654
FC(Oc1cc(C)ccc1NC1CC(n2c1ncn2)C)F	EMOLS-id_318480385,MCULE-9928242420	294.3	SPDMSPXDYITTRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054655
O=C(c1[nH]c2c(c1)CCC2)NCC(n1cccn1)C(F)F	EMOLS-id_318957908	294.3	ZKXBPYMFYRIYLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054656
c1(NC(=O)COc2ccccc2F)onc2CSCc12	PC-id_45505360,ZINC22_38679866,MCULE-2245654935,EMOLS-id_32182950	294.301	OUTSEYCZPUSTSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054657
S1Cc2c(noc2NC(=O)COc2ccc(F)cc2)C1	PC-id_49720087	294.301	NDSDQNIGTPLYSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054658
s1c2c(CCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OC	PC-id_5567655	294.303	YBYMBGPWJJKZNZ-AATRIKPKSA-M	00000010100000000000000010000000000000000000000000000000	25-01-054659
s1c2c(CCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OC	PC-id_7465325	294.303	YBYMBGPWJJKZNZ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-054660
c1(NC(=O)COc2ccc(cc2)F)nnc2SCCn12	EMOLS-id_16349461,CoCoCo_2590522,MCULE-8107770942,ChEMBL-DNDi_CHEMBLF2079-0105,ZINC22_15865768,PC-id_22582970	294.305	PHBVIABIQBWAPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054661
c1(NC(=O)COc2ccccc2F)nnc2SCCn12	ZINC22_15865767,PC-id_22582969,CoCoCo_2590521,EMOLS-id_16349459,MCULE-8632188948	294.305	DIQGHTLNQZBFTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054662
N#Cc1ccc(cc1)C(=O)c1c(C)c2c(n1C)C(C(=O)O2)C	PC-id_54012197,SCHEMBL7674520	294.305	KTCZXJKOPHNXFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054663
O=C(c1n2CCC(c2cc1)C#N)c1c(OC(=O)C)cccc1	PC-id_13486988	294.305	LZHKWIARDXWVQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054664
CCOC(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959868	294.306	CPSHSPJKWASVDF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054665
COC(=O)c1c(NC(=O)N2CCCCO2)nc2n1CCC2	EMOLS-id_319654987	294.306	LKRZNYPOGNGRCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054666
COC(=O)c1c(NC(=O)N2CC[C@@H](C2)O)nc2n1CCC2	EMOLS-id_319654501	294.306	JITUQXHZXBNYID-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054667
COC(=O)c1c(NC(=O)N2CCOCC2)nc2n1CCC2	EMOLS-id_319010887	294.306	ZVLZIXBDBDUGOX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054668
COC(=O)c1c(NC(=O)NC2(C)COC2)nc2n1CCC2	EMOLS-id_319418111	294.306	SKRXCKMSJYXJRR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-054669
COC(=O)c1c(NC(=O)NC2COCC2)nc2n1CCC2	EMOLS-id_319632111	294.306	MXTAKNUGWXYUCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054670
O=C(C1CCC(O1)C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_102688048	294.306	BPJFNPCQYLDKFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054671
O=C([C@@H]1CC[C@@H](O1)C(=O)O)NC(c1nnc2n1CCC2)C	PC-id_102944786	294.306	BPJFNPCQYLDKFI-SXNZSPLWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054672
OC(=O)C1CCC(O1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_102688184	294.306	LSSFROVBSBUXOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054673
OC(=O)[C@H]1CC[C@H](O1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_102944917	294.306	LSSFROVBSBUXOX-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054674
Cc1ccc(c2ocnc2C(=O)N2Cc3c[nH]nc3C2)cc1	ZINC22_646346931,MCULE-5370939214,EMOLS-id_316812933	294.308	JRZALZPONXUBRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054675
CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)C#Cc1ccccc1	SCHEMBL2920481,PC-id_68441293	294.308	ZLXRNAWVSJAWOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054676
N#CCCn1ncc2c1/C(=Cc1cccc(c1)[N+](=O)[O-])/CC2	CoCoCo_3756721,PC-id_6265705	294.308	VXKPHRARSAICNP-LCYFTJDESA-N	00000010100000110001000010000000000000000000000000000000	25-01-054677
N#CCCn1ncc2c1C(=Cc1cccc(c1)[N+](=O)[O-])CC2	EMOLS-id_300266331,PC-id_5083665,MCULE-8484173565	294.308	VXKPHRARSAICNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054678
N#CCCn1ncc2c1/C(=C/c1cccc([N+](=O)[O-])c1)/CC2	CoCoCo_3756720,ZINC22_4946016,PC-id_6534547	294.308	VXKPHRARSAICNP-UKTHLTGXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054679
Cc1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324842722	294.31	AGRSZQOSZHXCQL-DAXSKMNVSA-N	00000000100100000001000010000000000000000000000000000000	25-01-054680
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)C	MCULE-8827067225	294.31	AGRSZQOSZHXCQL-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-054681
C1Cc2c(nnn2C1)C(=O)N(c1ccccc1)c1c[nH]nc1	PC-id_90034198,SCHEMBL15560978	294.311	QMAWKZRATDOTEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054682
c1(C(=O)Nc2cccc(c2)c2[nH]cnn2)c2CCCc2[nH]n1	EMOLS-id_49405937,MCULE-6730750414,PC-id_71705406,EMOLS-id_316842429,STOCK7S-36754,EMOLS-id_44753788,ZINC22_95476510	294.311	VLXMMSMRCKVJSY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054683
c12C(C)CCc1nn(Cc1cccc(c1C)C(F)(F)F)c2	MCULE-9094731770,EMOLS-id_330999213	294.315	FJWYHEVRVXRMKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054684
c12C(C)CCc1nn(Cc1ccc(c(c1)C(F)(F)F)C)c2	MCULE-3731477817,EMOLS-id_330998701	294.315	RHQIGWPOOMHRLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054685
c12C(C)CCc1nn(Cc1cc(C)cc(c1)C(F)(F)F)c2	EMOLS-id_330998957,MCULE-1006664206	294.315	RDJHIVJFEHGMJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054686
c12C(C)CCc1nn(Cc1c(C)ccc(c1)C(F)(F)F)c2	MCULE-4980734397,EMOLS-id_330998445	294.315	QHDWGAMVFOMPJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054687
CC1CCc2c1cnn2Cc1cc(ccc1C)C(F)(F)F	EMOLS-id_331016687,MCULE-3788513438	294.315	GBKUJAZHQCKVOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054688
CC1CCc2c1cnn2Cc1cccc(c1C)C(F)(F)F	EMOLS-id_331017455,MCULE-5191479020	294.315	NEZJYHRCRAQMOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054689
CC1CCc2c1cnn2Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_331017199,MCULE-1204722824	294.315	GFAVJVVMELNKQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054690
CC1CCc2c1cnn2Cc1ccc(C)c(c1)C(F)(F)F	MCULE-2898045178,EMOLS-id_331016943	294.315	SMJOCBUEZNGIOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054691
CC(c1ccc(cc1)C(F)(F)F)n1cc2C(C)CCc2n1	EMOLS-id_330998958,MCULE-4212019301	294.315	OKCRQLKKRXWAEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054692
CC(c1ccccc1C(F)(F)F)n1cc2C(C)CCc2n1	EMOLS-id_331002530,MCULE-5535459155	294.315	DGFSGBZQLNOGQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054693
CC(c1cccc(c1)C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-8919394004,EMOLS-id_331004832	294.315	IONWBDPBGUVMMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054694
s1c2CCCc2cc1C(=O)c1c(F)cc(OC)cc1F	PC-id_60964801	294.316	LRKDPABQUDDOGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054695
c1(NC(=O)Cc2ccc(cc2F)F)sc2c(CCC2)n1	EMOLS-id_318446726,MCULE-1875734440	294.32	UQPQLYXIHUEZBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054696
Fc1ccc(c(c1)C(=O)NCc1sc2c(n1)CCC2)F	EMOLS-id_318661913	294.32	JQBQLOKLSGVRMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054697
Fc1ccc(c(c1)F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318461245	294.32	BWXWPJBPAOYNPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054698
Fc1cc(F)cc(c1)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318469188	294.32	PDJKDMOCSKRVJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054699
O=C(c1ccc(c(c1)F)F)NCc1sc2c(n1)CCC2	EMOLS-id_318634977	294.32	RQBJTSMDIAJORT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054700
O=C(c1cccc(c1F)F)NCc1sc2c(n1)CCC2	EMOLS-id_318716242	294.32	MNHQPEYLJMRSEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054701
O=C(c1ccnc(c1F)F)NCc1sc2c(c1)CCC2	PC-id_105380957	294.32	MUJSGJHTISHFAW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-054702
O=C(c1c(F)cccc1F)NCc1sc2c(n1)CCC2	EMOLS-id_318457304	294.32	YASNWGDHBWSINU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054703
O=C(c1sc2c(c1)CCC2)Nc1c(N)ccc(c1F)F	PC-id_108380648	294.32	NWOLGAYZFLGVGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054704
O=C(Cc1cccc(c1F)F)Nc1sc2c(n1)CCC2	EMOLS-id_318659241	294.32	BEWWIHHMQVGFLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054705
O=C(Cc1cc(F)ccc1F)Nc1sc2c(n1)CCC2	EMOLS-id_318692912	294.32	LRXVFRSVAAVYOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054706
O=C(Cc1c(F)cccc1F)Nc1sc2c(n1)CCC2	EMOLS-id_318610476	294.32	QJHLEGXVFRVNKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054707
O=C(Nc1sc2c(n1)CCC2)Cc1ccc(c(c1)F)F	EMOLS-id_318381049	294.32	DCHSONTYZWSVMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054708
s1c2CCCc2cc1C(=O)Nc1cc(N)c(F)cc1F	PC-id_43549847	294.32	AIIRIEJSWRNMBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054709
s1c2CCCc2cc1C(=O)Nc1c(N)cc(F)cc1F	PC-id_81315275	294.32	QDDRZWQSZQTRKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054710
C=CCN1CCC(CC1)NC(=O)c1nn2CCOc2c1F	PC-id_91960085	294.325	UBQGHOANFZPPCE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054711
NC(=O)C(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)F	EMOLS-id_316542908	294.325	LLIWHVMPSPJNOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054712
c1(C#N)c2CCCc2sc1N(CCC(=O)O)CC(=O)O	MCULE-5341257460,PC-id_82309659	294.326	UAMPWQFSRDZAGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054713
O=C1CC[C@H](N1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108103005	294.326	NPXZUSGHCUOGPS-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054714
O=C1CC[C@@H](N1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108103007	294.326	NPXZUSGHCUOGPS-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054715
O=C1NCC(N(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_107433301	294.326	OEJJUXPZDMBHNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054716
O=C(C1=COCCO1)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2590236,PC-id_4374432	294.326	FLEAYDDSSZOIRT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-054717
O=C(OCC(=O)N1CCNC1=O)c1cc2c(s1)CCC2	CoCoCo_2840786,ZINC22_4462251,MCULE-5142638348,PC-id_7238778,EMOLS-id_3700387	294.326	NZPLYYCGJWAFDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054718
s1c2c(CCC2)c(c1NC(=O)C1CNC(=O)C1)C(=O)O	PC-id_83193161	294.326	DQQYZJSLEPBYPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054719
s1c2CCCc2c(c1NC(=O)COC(=O)COC)C#N	PC-id_8018667	294.326	QDBVYGOSUWGOAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054720
Cc1ccc(c(n1)O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100326137	294.33	GSVWKBXMQQIBIX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054721
CCOC(=O)C1CCc2c1nc(s2)NCc1nocn1	PC-id_106411457	294.33	UQNGECGGDMXIID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054722
Cn1cccc1C(=O)NS(=O)(=O)c1cnc2n1CCC2	ZINC22_330033002,MCULE-3186983746,PC-id_121590874,EMOLS-id_73013292	294.33	VLCSOFAYRVLLFV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-054723
Cn1cccc1S(=O)(=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_316925048,MCULE-9794030599,ZINC22_839066363	294.33	DNPHVJQLXGREON-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-054724
Cn1cccc(c1=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100459550	294.33	VJEKJDKFEOGAOG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054725
COc1ccc(cn1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100457077	294.33	WYEZSEPQIQJHAG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054726
COc1ccnc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705382	294.33	NMEOOKSETNXQGX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054727
COc1cncc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318221623	294.33	QZRZAEPGIAMWFO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054728
COc1ncc(cc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-3489226327,EMOLS-id_320081002	294.33	JJGZMIQKDVHURR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054729
COc1ncc(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320033195,MCULE-3688421938	294.33	ZMWFJNLNWMNFKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054730
COc1ncccc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100457131	294.33	LQKFPELPMOGCDT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054731
COc1nccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101836027	294.33	NELMGZUUJRNGCQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-054732
COc1snc(c1C(=O)N1Cc2c(C1)n(nc2)C)OC	EMOLS-id_318816376	294.33	GANBOELVKVPXRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054733
OC(=O)C1CCc2c1nc(s2)NCCc1noc(n1)C	PC-id_106424072	294.33	GAKAYWLJWUFWCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054734
OC(=O)C1CCc2c1nc(s2)NCCc1onc(n1)C	PC-id_106424089	294.33	FECLQZRLIHCKJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054735
c1(ccc(C#N)nc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5517503523,EMOLS-id_327987904	294.331	WWYURJLBYKTKBL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-054736
CCOC(=O)C1CCc2c1nc(s2)NCc1n[nH]nn1	PC-id_104288276	294.333	CFNAHTLNDDMVCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054737
COc1cnc(s1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319393208	294.333	BWZLYJJTKHIZEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054738
OCCCN(CC(F)(F)F)Cc1sc2c(n1)CCC2	PC-id_109974771	294.336	TVIKTILUILUDKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054739
Fc1cc(ccc1C)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318497678	294.345	SLPFXQZHHJCIAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054740
Fc1ccc(c(c1)C)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318737854	294.345	JYTMDILOBMHBRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054741
Fc1ccccc1C(S(=O)(=O)c1[nH]c2c(n1)CCC2)C	EMOLS-id_318455840	294.345	DXFMYEOKHLZSII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054742
Fc1ccc(cc1)C(S(=O)(=O)c1[nH]c2c(n1)CCC2)C	EMOLS-id_318736774	294.345	TYIBDFLIGXTILE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054743
c1(C(=O)OC(C)(C)C)c(N)c(c2CCCn12)C(=O)OCC	SPECS-id_AT-687/NB03683,MCULE-3108958537,ZINC22_96511553,SPECS-id_AT-687/PE33056,PC-id_75466265,EMOLS-id_49185833	294.346	WLWVKJSVPIUPRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054744
OCC1(COCCN1C)CNC(=O)c1occ2c1CCC2	EMOLS-id_319542208	294.346	WUYCOFCUACVNIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054745
O(C(=O)N1Cc2c([nH]c(c2C(=O)O)C(C)C)C1)C(C)(C)C	PC-id_84815314	294.346	XDSKYPYXNQEBDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054746
O=C(NCC=C)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_86065778	294.348	FFASZQUGNKIUSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054747
c12CN(Cc1nn(C)c2C(=O)N(C)C)C(=O)OC(C)(C)C	EMOLS-id_324353130,MCULE-1776223073	294.349	PGZAMXWCZLDAOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054748
c12CN(Cc1nn(CC)c2C(=O)NC)C(=O)OC(C)(C)C	EMOLS-id_324352366,MCULE-8193810573	294.349	KONXVQAWTURRNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054749
c12CN(Cc1nn(C(C)C)c2C=NO)C(=O)OC(C)(C)C	MCULE-6785253590,EMOLS-id_324357229	294.349	LURVOWUVZBYCOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054750
c12CN(Cc1nn(CC(C)C)c2C(=O)N(C)C)C(=O)OC	EMOLS-id_324353129,MCULE-9837033567	294.349	QURSTAFKIMKWJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054751
c12CN(Cc1nn(C(C)(C)C)c2C(=O)NCC)C(=O)OC	MCULE-8383350827,EMOLS-id_324357217	294.349	ZKXJHOBFAZSOGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054752
c12CN(Cc1nn(C(C)(C)C)c2C(=O)NC)C(=O)OCC	MCULE-6801824523,EMOLS-id_324352110	294.349	VUSHQTICSALQCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054753
c1(C(=O)N(C)C)n(C(C)C)nc2CN(C(=O)OCC)Cc12	EMOLS-id_324351082,MCULE-6531085719	294.349	PDSPAMOXZSPFJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054754
c1(C(=O)N)c2COCc2sc1I	EMOLS-id_331065889,MCULE-8908642222	295.098	KGEMSXPLDQTYOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055287
c1(C(=O)NCCNC(=O)OC(C)(C)C)c2CCCc2[nH]n1	MCULE-7630955254,EMOLS-id_335072800	294.349	QJDAFWLFXZXKSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054755
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)C(C)C	MCULE-2280457682,EMOLS-id_316322099	294.349	BFCWDIQKKUSGKD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-054756
Cc1c2n(CCO2)nc1C(=O)NCCCN1CCOCC1	PC-id_91959974	294.349	FKXFCHKMDSCYNM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054757
CCOC(=O)n1nc2c(c1NC(=O)C(C)C)CNC2(C)C	SCHEMBL1205058,PC-id_58015727	294.349	IOOYYYSBZYCUDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054758
COCCCNC(=O)CN(C(=O)c1n[nH]c2c1CCC2)C	PC-id_86851063	294.349	WCGYAFHAXZTDMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054759
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)C(C)C	MCULE-6828203585	294.349	BFCWDIQKKUSGKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054760
CO[C@@H]1CN(C[C@@H]1OC)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574903	294.349	ZDRNTFJDFIHXRA-CAODYFQJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054761
COC(=O)c1c(NC(=O)NC(CC)(C)C)nc2n1CCC2	EMOLS-id_319171373	294.349	RCHPBQOMAWCQLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054762
COC(=O)c1c(NC(=O)N(CC(C)C)C)nc2n1CCC2	EMOLS-id_319267796	294.349	UOTLPOZYVWSGJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054763
O=C(c1cc2n(n1)CCO2)NCCCN1CCOCCC1	MCULE-5254914948,EMOLS-id_319829190	294.349	KMVHUYRWRURJLP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054764
O=C(c1ccccc1O)Nc1nc2c(s1)S(=O)CC2	PC-id_56971366,SCHEMBL6392883	294.349	IYSVTEMGDBOFKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054765
O=C(c1ccccc1O)Nc1sc2c(n1)S(=O)CC2	PC-id_56971370,SCHEMBL10181801	294.349	UWWQWLADPFRJLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054766
OCC1(COCCN1C)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319539118	294.349	XHUOFYOHTWTBDP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054767
OCC1(COCCN1C)CNC(=O)c1cnc2n1CCC2	EMOLS-id_320046783,MCULE-4729283781	294.349	OTSLZUOUINVMJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054768
OCC1(COCCN1C)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319122270	294.349	KEQWKDCHVXGHHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054769
OCC1(COCCN1C)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318884435	294.349	DJFMDUXGAGHSPH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054770
O=C(c1scnc1)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114030927	294.349	OKSXQKJQIGEDJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054771
OCC(NC(=O)c1cn2c(n1)CCC2)CN1CCOCC1	EMOLS-id_316922533,MCULE-4180143377	294.349	ONKOTABRNFOZHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054772
O=C(NC(c1n2CCCc2nn1)C)CC(CC(=O)O)(C)C	PC-id_62935080	294.349	ULZWPPRASSYYAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054773
O=C(N(Cc1n2CCCc2nn1)C)CC(CC(=O)O)(C)C	PC-id_62935090	294.349	RLEODXBTARJALM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054774
O=C(N[C@@H](CO)CN1CCOCC1)c1cn2c(n1)CCC2	ZINC22_570454659	294.349	ONKOTABRNFOZHF-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054775
O=S1Cc2c(C1)nc(s2)NC(=O)c1ccccc1O	PC-id_56971586,SCHEMBL6395691	294.349	OLLPETAWXGUCGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054776
s1c2c(CCC2)c(c1NC(=O)c1ncsc1)C(=O)O	PC-id_63023194	294.349	KTBOPVGNUOCANL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054777
s1c2CCCc2nc1NC(=O)c1sc(cc1)C(=O)O	PC-id_55028044	294.349	PAIWTLVJSMROPP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054778
c1ccc(c2coc(CNCc3nnc4n3CCC4)c2)cc1	MCULE-8220026603,ZINC22_69157789,EMOLS-id_36642234,PC-id_53500561	294.351	ZOCNOQIMBOVMAS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-054779
c1(C(=O)NN=CC(=Cc2ccccc2)C)c2CCCc2[nH]n1	MCULE-8910493244,PC-id_5400019	294.351	SDMGBHOUUPTIHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054780
CC(c1onc(c1)c1ccccc1)NC1CCn2c1ncc2	EMOLS-id_319554782	294.351	KTAIKEPVJOJFCS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054781
C/C(=Cc1ccccc1)/C=N/NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_1020361,STOCK3S-33078,PC-id_6866937	294.351	SDMGBHOUUPTIHJ-SIBNOYASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054782
CC(NC(=O)N1Cc2c(C1)c([nH]n2)C#Cc1ccccc1)C	SCHEMBL5720858,PC-id_69543305	294.351	USDAQMRYMZROSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054783
N#Cc1ccc(cc1)CCC(=O)NCc1cnc2n1CCC2	EMOLS-id_319926913,MCULE-4349341907	294.351	VNSKQQHSLDBAGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054784
N#Cc1ccc(cc1)CCC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318908347	294.351	NZMLQCSHKZGWHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054785
N#Cc1ccc(cc1)C(C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319527772	294.351	VCYVWIXBKJYZMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054786
N#Cc1cccc(c1)C(N(C(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_318646632	294.351	FQQSULAREYHFLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054787
N#Cc1cc(C)c(c(c1)C)CC(=O)NC1CCn2c1ncc2	MCULE-9740472794,EMOLS-id_319885506	294.351	ZXEYPMWNZUENSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054788
N#CCc1ccccc1CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319471376	294.351	ZGQSOQZWYVEIQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054789
O=C(NN=C/C(=C/c1ccccc1)/C)c1n[nH]c2CCCc12	PC-id_1604499	294.351	SDMGBHOUUPTIHJ-ULPVHAHSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054790
c1(NC(=O)c2csnn2)sc2c(CCC2)c1C(=O)N	EMOLS-id_9995307,MCULE-3045687077,PC-id_35181054,ZINC22_27794039,MS2_ST096598,CoCoCo_6377069	294.353	XDGCVKUWKFZCNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054791
CC(NC(=O)NCc1nnc2n1C(CC2)C(=O)N(C)C)C	PC-id_118740609	294.353	VIUAXLMGMOQALN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054792
N#Cc1c(sc2c1CCC2)NS(=O)(=O)c1[nH]ncc1	PC-id_102691859	294.353	ZGPABFROTDKBLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054793
N#Cc1sccc1S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316613965	294.353	XNQLJKSXRMUXTE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054794
O=C(NCCc1n2CCCc2nn1)C(NC(=O)NC)(C)C	PC-id_60573957	294.353	VDQXHTOWTSLDSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054795
s1c2c(CCC2)c(c1NS(=O)(=O)c1c[nH]nc1)C#N	PC-id_54937531	294.353	DIBTYGCWZOCTII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054796
s1c2c(CCC2)c(c1NS(=O)(=O)c1[nH]cnc1)C#N	PC-id_64155505	294.353	KOTGFQZLRQVSQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054797
c1(Cn2ccnc2c2ccnc(CC)n2)c2CCCc2[nH]n1	ZINC22_1857729007,EMOLS-id_324287880,MCULE-8893839815,PC-id_154821566	294.354	JMZHNTDUVNDKIO-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-054798
Cc1ccccc1n1cc(CN[C@H]2CCn3ccnc23)nn1	ZINC22_903178218	294.354	UNTXSYYFJWNKAG-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054799
Cc1ccccc1n1cc(CN[C@@H]2CCn3ccnc23)nn1	ZINC22_903178219	294.354	UNTXSYYFJWNKAG-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054800
Cc1ccccc1n1nnc(c1)CNC1CCn2c1ncc2	EMOLS-id_316604715,PC-id_146141195	294.354	UNTXSYYFJWNKAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054801
CC(c1cccc(c1)n1cnnc1)NC1CCn2c1ncc2	EMOLS-id_279086599	294.354	LYVWNUJAIIJPAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054802
Cn1nc2c(c1CNc1cnn(c3ccccc3)n1)CCC2	ZINC22_1875284436,PC-id_146145315	294.354	ZKOJBEFRPZESSL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054803
s1nc(SC)nc1N/N=C/1c2n(N=C1C)nc(n2)C	PC-id_23386360	294.359	YZTMOGMMHHFALP-SDQBBNPISA-N	00000011100000000001000010000000000000000000000000000000	25-01-054804
s1nc(SC)nc1NN=C1c2n(N=C1C)nc(n2)C	PC-id_74046497	294.359	YZTMOGMMHHFALP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-054805
CCNC(c1sc2c(n1)CCC2)c1cc(F)cc(c1)F	PC-id_106531769	294.363	XGYPFCMYIGLCFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054806
CNC(c1sc2c(n1)CCC2)c1ccc(cc1)C(F)F	PC-id_115524807	294.363	AANBGYABPSDKGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054807
CNC(c1sc2c(n1)CCC2)c1cccc(c1)C(F)F	PC-id_115527563	294.363	YPYDLUDLMDKTOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054808
Fc1ccc(c(c1)F)[C@@H](NCc1sc2c(n1)CCC2)C	EMOLS-id_318042311,MCULE-8533588457	294.363	FQBJPXLJSVSJOE-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-054809
Fc1ccc(c(c1)F)[C@H](NCc1sc2c(n1)CCC2)C	EMOLS-id_318182473,MCULE-8386940380	294.363	FQBJPXLJSVSJOE-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054810
NNC(c1ccc(c(c1F)F)C)c1sc2c(c1)CCC2	PC-id_107516620	294.363	MDYQXSPYEMTTLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054811
NNC(c1c(F)ccc(c1F)C)c1sc2c(c1)CCC2	PC-id_105330219	294.363	LXIFXUWABXVKCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054812
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1F)F	PC-id_105291824	294.363	TWVXNSHGXGVSQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054813
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1F)F	PC-id_105297947	294.363	ILDHPSFMFRJNKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054814
NNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)F	PC-id_105330359	294.363	ITBJTZSCUFTKKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054815
NNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1F	PC-id_105288880	294.363	TXKQTVUZFSLSEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054816
NNC(c1sc2c(c1)CCC2)Cc1cc(F)cc(c1)F	PC-id_105413104	294.363	XIPAAYCSVGCGNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054817
NNC(c1sc2c(c1)CCC2)Cc1c(F)cccc1F	PC-id_105342851	294.363	WCMIYNHDWDIILV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054818
s1c2CCCc2nc1C(NCC)c1cc(F)c(F)cc1	PC-id_61332018	294.363	PADXPMHXSWVUQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054819
s1c2CCCc2nc1C(NCC)c1c(F)cccc1F	PC-id_61332194	294.363	KSHOEIDBHVNVDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054820
c1(C(=O)O)c2CNCc2sc1I	MCULE-7428777890,EMOLS-id_331064878	295.098	MHAQCJWXGFWUHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055288
s1c2CCCc2nc1C(NCC)c1c(F)ccc(F)c1	PC-id_61332010	294.363	YFRQUKKEUVDSIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054821
s1c2CCCc2nc1C(NCC)c1c(F)cc(F)cc1	PC-id_61332379	294.363	GIZZBRVCLFTDDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054822
s1c2CCCc2nc1C(NCC)c1c(F)c(F)ccc1	PC-id_63668096	294.363	GVKCLJOJZSAXOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054823
O=C(c1ccc(c(c1)S)F)Nc1sc2c(n1)CCC2	PC-id_107025678	294.368	OCJLGDQZTDLDGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054824
S1c2c(sc(c2OS(=O)(=O)C)C(=O)OC)CC1	PC-id_11044612	294.368	MBEQVBPNDXIWPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054825
Sc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)F	PC-id_107025679	294.368	COAPUYOHMZNTRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054826
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331870,MCULE-4938538169	294.369	YZRNWGRQLOADKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054827
c1(sc2c(CCC2)c1C(=O)OC)NC(=O)N1CCCC1	ZINC22_6662132,PC-id_8030519,STOCK6S-06876,EMOLS-id_4734993,MCULE-6760317700	294.369	KQSLLXZMBQSMKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054828
CC1CC(C(C1)C(=O)Nc1sc2c(n1)CCC2)C(=O)O	PC-id_114390841	294.369	ANSNZWJEUAIOAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054829
CC1C[C@H]([C@H](C1)C(=O)Nc1sc2c(n1)CCC2)C(=O)O	PC-id_105637106	294.369	ANSNZWJEUAIOAH-SXNZSPLWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054830
CCCCOC(=O)c1ccn2c1SCC2=CC(=O)NC	PC-id_139819441	294.369	RONCNLDGDNXFGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054831
CCOC(=O)c1c2SCC(=CC(=O)NC)n2c(c1C)C	PC-id_139819462	294.369	QMXJQCWQORPFEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054832
CCOC(=O)CC1CCc2c1c(/C(=NC)/O)c(s2)N=C	SCHEMBL19444749	294.369	SHHJSNMYBFEQMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054833
CCOC(=O)C(=CN(C)C)C(=O)c1nc2c(s1)CCC2	PC-id_90147658	294.369	SKILBZPGZKHGKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054834
CCOC(=O)/C(=CN(C)C)/C(=O)c1sc2c(n1)CCC2	SCHEMBL15705209	294.369	SKILBZPGZKHGKL-HJWRWDBZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054835
CNC(=O)C=C1CSc2n1ccc2C(=O)OCC(C)C	PC-id_139819416	294.369	WXSFOIJGILDKRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054836
CNC(=O)C=C1CSc2n1cc(c2C(=O)OC(C)C)C	SCHEMBL9039181,PC-id_49824961	294.369	YPJOJHBRMCSWKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054837
CNC(=O)C=C1CSc2n1c(C)cc2C(=O)OC(C)C	PC-id_139819397	294.369	RYJOLMHFUBENSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054838
COC(=O)c1c(NC(=O)[C@H]2CCCN2)sc2c1CCC2	PC-id_104901078	294.369	KUIGKQSMBBYBJG-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054839
COC(=O)c1c(sc2c1CCC2)NC(=O)C1(CN)CC1	PC-id_115453241	294.369	BFOLBPKUPWLJDC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054840
O=C([C@@H]1CCCC[C@@H]1C(=O)O)Nc1sc2c(n1)CCC2	PC-id_105637110	294.369	MNUOLRULFMVMFK-BDAKNGLRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054841
OCC(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_109880328	294.369	XBHFXRHQABCKAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054842
OC(=O)C1CCc2c1nc(s2)NC1CCOC1C1CC1	PC-id_105856711	294.369	BDOOHCFAUSIQSC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-054843
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CC(=O)O	PC-id_43521515	294.369	NBEMZKXFJGYYNX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054844
s1c2CCCc2cc1C(=O)NNC(=O)C1CCOCC1	PC-id_51192666	294.369	BEMLOQJMFSWCDN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054845
s1c2c(CCC2)c(c1NC(=O)C1CCN(C1)C)C(=O)O	PC-id_60921845	294.369	WODJEBYPNALLQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054846
s1c2c(CCC2)c(c1NC(=O)C1CCNC1)C(=O)OC	PC-id_63006018	294.369	SYMSIMHWGYHSDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054847
s1c2c(CCC2)c(c1NC(=O)C1CNC1)C(=O)OCC	PC-id_65965601	294.369	NWSFBIXJLXYRMD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-054848
s1c2c(CCC2)c(c1NC(=O)C1(N)CC1)C(=O)OCC	PC-id_65465357	294.369	PJCMEPWVFWPLRW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054849
s1c2c(CCC2)c(c1NC(=O)C1NCCC1)C(=O)OC	PC-id_60710776	294.369	KUIGKQSMBBYBJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054850
s1c2c(CCC2)c(c1NC(=O)C1(N)CCC1)C(=O)OC	PC-id_81168350	294.369	JGDXTHLXLFBFQX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-054851
s1c2c(CCC2)c(c1NC(=O)CC1CNC1)C(=O)OC	PC-id_64611835	294.369	JKTNVMNBVYRHMJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-054852
s1c2c(CCC2)c(c1NC(=O)[C@H]1NCCC1)C(=O)OC	PC-id_61253667	294.369	KUIGKQSMBBYBJG-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-054853
s1c2c(CCC2)c(c1NC(=O)CN1CCCC1)C(=O)O	PC-id_28866140	294.369	ALTAXVDVANZZQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054854
s1c2c(CCC2)c(c1NC(=O)CNC1CC1)C(=O)OC	PC-id_60647130	294.369	CALKLPOUOCLVTD-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-054855
s1c2c(CCC2)c(c1NC(=O)CNCC=C)C(=O)OC	PC-id_78908492	294.369	VLDISKGUDCCIPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054856
s1c2c(CCC2)c(c1NC(=O)C(N)CC=C)C(=O)OC	PC-id_81776286	294.369	JKFUYPLLFGAMLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054857
s1c2c(CCC2)c(c1NC(=O)N1CCCCC1)C(=O)O	PC-id_79155613	294.369	ILJSPTCROLIMEC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-054858
s1c2c(CCC2)c(c1NC(=O)NC1CCCC1)C(=O)O	PC-id_80255137	294.369	OOKMUJDSFUPBFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054859
s1c2CCC(c2nc1NC(=O)C1CCC1)C(=O)OCC	PC-id_49712100	294.369	HVGNFHVGFODAOE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-054860
s1c2CCCc2nc1NC(=O)C1C(CCCC1)C(=O)O	PC-id_61509045	294.369	MNUOLRULFMVMFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054861
s1c2CCCc2nc1NC(=O)C1CC(CCC1)C(=O)O	PC-id_63782642	294.369	PQMFFDJZVJFJNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054862
s1c2CCCc2nc1NC(=O)C1CCC(CC1)C(=O)O	PC-id_63782813	294.369	UOSILJQBOOVSDQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054863
s1c2CCCc2nc1NC(=O)CC1(CCCC1)C(=O)O	PC-id_61509155	294.369	RJPIXBFZIKOZHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054864
S1c2n(C(=C(C)C(=O)N)C1)cc(c2C(=O)OC(C)C)C	PC-id_56989752	294.369	YANFDGKWZLGHRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054865
S1c2n(/C(=C/C(=O)NC)/C1)cc(c2C(=O)OC(C)C)C	PC-id_19903346	294.369	YPJOJHBRMCSWKL-BJMVGYQFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054866
S1(=O)(=O)Cc2[n+](CC(=O)c3ccccc3)csc2C1	PC-id_11516303	294.369	JIRXREIWMRQHLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054867
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C#N	MCULE-1068027581,PC-id_915814	294.371	SATZEKGXGUFJRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054868
N#Cc1c(NC(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_4966728	294.371	SATZEKGXGUFJRS-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054869
N#Cc1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2	PC-id_915815,ZINC22_501651,EMOLS-id_4402687,CoCoCo_4966727,STOCK1S-67877	294.371	SATZEKGXGUFJRS-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054870
O=C(c1ccnn1c1ccccc1)c1sc2c(c1)CCC2	PC-id_107331787	294.371	GBDPQKHGUXPLOO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054871
s1c2CCCc2cc1C(=O)c1cn(nc1)c1ccccc1	PC-id_43463439	294.371	XKKLFTGDYBAWPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-054872
S1(=O)(=O)c2sc(S(=O)(=O)NCN)cc2C=C1C	PC-id_54416427	294.371	VXTNSGYFDPMWPE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-054873
c1(NC(=O)C2CC(=NO2)C(C)C)n(C)nc2CSCc12	MCULE-4709152970,PC-id_134708818,EMOLS-id_316163067	294.373	ZJHMQYTXKLJPPO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-054874
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCNCC1	PC-id_16419905,STOCK6S-21839,EMOLS-id_4758153,ZINC22_13625311,MCULE-6680251219	294.373	ITZFDDLIVGGUID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054875
CC(C)C1=NO[C@@H](C(=O)Nc2c3c(nn2C)CSC3)C1	ZINC22_1529174946	294.373	ZJHMQYTXKLJPPO-LLVKDONJSA-N	00000011100000000001000010000000000000000000000000000000	25-01-054876
CC(C)C1=NO[C@H](C(=O)Nc2c3c(nn2C)CSC3)C1	ZINC22_1529174947	294.373	ZJHMQYTXKLJPPO-NSHDSACASA-N	00000011100000000001000010000000000000000000000000000000	25-01-054877
N#CC1(CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111853367	294.373	SSVHODHGOFYHHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054878
N#CCN(S(=O)(=O)c1cnc2n1CCC2)C1CCCC1	EMOLS-id_100229893	294.373	BMTXUKKNPZOKRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054879
O=C1CCC[C@@H](N1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_97848297	294.373	GMHUIUSZIPRKDG-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054880
O=C1N(CCc2nc3n(c2)CCS3)C(=O)C(N1C)(C)C	EMOLS-id_100759578	294.373	VGNZPMPYUVGFPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054881
O=C1NCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999940	294.373	OSDWLSVKEXJROE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054882
O=C(C1CCC(=O)N1C)NCCc1cn2c(n1)SCC2	EMOLS-id_99142081	294.373	CHGGTVJENSCYOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054883
O=C(CN1CCCC1=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99817009	294.373	PVTDRRCSQXNZTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054884
O=C(N1CC(=O)N(C1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005709	294.373	JFRFKJJRNVJJDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054885
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CNC(=O)C1	EMOLS-id_102007245	294.373	RVYVLGGAYNBMKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054886
O=C(Nc1sc2c(n1)CCC2)CNC(=O)N1CCCC1	EMOLS-id_278498312	294.373	KWSBZZRLSYMZDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054887
s1c2c(CCC2)cc1CNC1C(N(C(=O)NC1=O)C)N	PC-id_76895642	294.373	VQJBAXYYRVTHMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054888
S1CCn2c1nc(NC(=O)C(OCCCC)C)c2C#N	PC-id_60323777	294.373	WTPYCKNOTNLXJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054889
N#Cc1cccc(c1NCCc1sc2c(n1)CCC2)C#N	EMOLS-id_318751007,MCULE-6986815404	294.374	UXADUYGNGLQXCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054890
CCOC(Cn1c2CC(C)(C)Cc2cc1C(=O)N)OCC	EMOLS-id_337729940	294.389	ZXBNFJZJJJETHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054891
o1c2c(c(c1C(C)C)CCN)CN(C2)C(=O)OC(C)(C)C	PC-id_84815366	294.389	MPUMNUYNYBEUKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054892
o1c(C(C)(C)C)c(c2c1CN(C2)C(=O)OC(C)(C)C)CN	PC-id_84815365	294.389	WOMGMBAGTGVFOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054893
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1C=O	MCULE-3495926480,EMOLS-id_330987699	294.391	VROKWFOAHMWACM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-054894
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1C=O	MCULE-4114707010,EMOLS-id_330985910	294.391	MWUFKNFOSRYQBT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-054895
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1C=O	MCULE-4888280696,EMOLS-id_330987959	294.391	CZOYPHKLALPAOY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-054896
CCCNC(=C)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_143814466	294.391	KWUVBPHMEIKXNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054897
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCC1	MCULE-3076353839,EMOLS-id_328337306	294.391	HQGYJRRAQOVYBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-054898
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC1CC1	EMOLS-id_328215675,MCULE-3853403773	294.391	WMPNFDAODDYYIX-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-054899
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC=C	MCULE-1149791814,EMOLS-id_186611379	294.392	MIAAOVCILDQKBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054900
Cc1ccc(c(c1)S(=O)(=O)c1sc2c(n1)CNC2)C	PC-id_141409803	294.392	FTNUWLQXNUHFSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054901
Cc1ccc(cc1)S(=O)(=O)Nc1nc2CCCc2s1	MCULE-3808105879,EMOLS-id_181477758,PC-id_3301478	294.392	WBQJXSYIXCXOSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054902
Cc1cccc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318648046	294.392	BODYEONCRJMBLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054903
Cc1ccccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_62998696,EMOLS-id_317942113	294.392	GXIACOGZUWIRCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054904
Cc1ccc(S(=O)(=O)N2Cc3nc(C)sc3C2)cc1	MCULE-7249906812,SCHEMBL3623214,PC-id_15231190,ZINC22_196406106,EMOLS-id_71009017	294.392	LXEXKPBPYDTHBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054905
CCOC(=O)C1CCc2c1nc(s2)Nc1cscc1	PC-id_104289027	294.392	JMJXXMRHDPNXSP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054906
COc1cc(sc1C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318755029	294.392	GZHQEPZPMFKAMF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054907
COc1c(sc2c1CCC2)C(=O)NCc1nccs1	PC-id_91956515	294.392	YZLDDVXFAIUGCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054908
COCc1sccc1C(=O)Nc1sc2c(n1)CCC2	MCULE-6688152923,EMOLS-id_320193531	294.392	XCSLWIHXOIQBDZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054909
O=C(CSCc1ccco1)Nc1nc2c(s1)CCC2	ZINC22_80058931,MCULE-1818476228,PC-id_122132267,EMOLS-id_172282568	294.392	BUVKQHKDGVVEBM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-054910
OC(=O)C1CCc2c1nc(s2)N(Cc1cccs1)C	PC-id_104287901	294.392	RXJMIHVHAXWBML-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054911
OC(=O)C1CCc2c1nc(s2)NCc1ccc(s1)C	PC-id_104288550	294.392	FBGQGFUGEYKLCH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054912
OC(=O)C1CCc2c1nc(s2)NC(c1cccs1)C	PC-id_113395700	294.392	IYIPPVGBXJBKAN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054913
OC(=O)C1CCc2c1nc(s2)NC(c1cscc1)C	PC-id_104288609	294.392	HKHVUCWVWVRRQG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054914
OC(=O)C1CCc2c1nc(s2)NCc1cscc1C	PC-id_104289089	294.392	KLLWCVXWKAEGDL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054915
OC(=O)C1CCc2c1nc(s2)N(Cc1cscc1)C	PC-id_113395701	294.392	VJNFONWVTYETBJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054916
OC(=O)C1CCc2c1nc(s2)NCc1sccc1C	PC-id_113395816	294.392	UNWNOZGHVWIECX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054917
OC(=O)C1CCc2c1nc(s2)NCCc1cccs1	PC-id_104287611	294.392	FZFCSBWCUOYGDI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054918
OC(=O)C1CCc2c1nc(s2)NCCc1cscc1	PC-id_104288380	294.392	KFLLMKNMEPURHS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-054919
OC(=O)c1scc(n1)CNCc1sc2c(c1)CCC2	PC-id_113792943	294.392	VOPAVEYUDLEHJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054920
[O-][N+](=O)c1ccc(s1)CNCc1cc2c(s1)CCC2	PC-id_104098055	294.392	GPXYZTHXEVDDFU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054921
s1c2c(CCC2)cc1CNCc1cc(sc1)[N+](=O)[O-]	PC-id_61207775	294.392	HRHCASIHYYPCRS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-054922
s1c2CCCc2nc1NS(=O)(=O)Cc1ccccc1	PC-id_5080683	294.392	CJSNGBXOJANDIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054923
s1cc2CC(OC(=O)C3=C(NC(=S)NC3)C)Cc2c1	PC-id_16078608,SCHEMBL5911392	294.392	MDZRCZPUMXJXFR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-054924
S(=O)(=O)(c1ccc(cc1)C)Nc1snc2CCCc12	MCULE-4050324824,PC-id_54774500	294.392	VIWSDNYIYKGXNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-054925
c12CN(Cc1nn(CC(C)C)c2CN(C)C)C(=O)OCC	MCULE-6224360459,EMOLS-id_324352102	294.393	AWXVKLIJAZSPEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054926
c12CN(Cc1nn(CC(C)C)c2CN)C(=O)OC(C)(C)C	MCULE-1201687956,EMOLS-id_324348015,PC-id_105528328	294.393	PDXZDZWMHKDXDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054927
CCCC(CC(=O)NCc1nnc2n1CCC2)(CCC)O	PC-id_112383446	294.393	KZWBBISMDPFDBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054928
CC(C)(C)OC(=O)NCC(C)(CN)c1n[nH]c2CCCc12	EMOLS-id_313951336,MCULE-8572134839	294.393	QGEFYACHNKKTFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054929
CCN(CCOC(C)(C)C)C(=O)N=c1cc2n([nH]1)CCC2	ZINC22_1875296700,EMOLS-id_324052313,PC-id_146101968,MCULE-3363357175	294.393	JZSZVSVOHYYJBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054930
NCc1c2CN(Cc2nn1C(C)(C)C)C(=O)OC(C)(C)C	PC-id_105528327	294.393	JBFOUMBHYMAGEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054931
NCc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(C)(C)C	PC-id_105528316	294.393	YZOYTFOAPDBKMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054932
NCc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)CC(C)C	PC-id_105528317	294.393	VIOWZYSUSPQOIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054933
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)N	PC-id_2325125	294.393	GMMFXEPCAVQETE-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-054934
c12SCCn1cc(CNC(=O)Cc1csc(C)n1)n2	ZINC22_65381834,PC-id_50954058,EMOLS-id_32379412,MCULE-2153102764	294.396	JSZCXGTVTWIPBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054935
c1(NC(=O)c2sc(nc2C)C)n(C)nc2CSCc12	EMOLS-id_316252732,MCULE-7369887547,ZINC22_1506415236	294.396	VRQBFEOYTXTJAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054936
c1(NC(=O)Cc2csc(C)n2)n(C)nc2CSCc12	ZINC22_606679639,PC-id_134703785,MCULE-1434204083,EMOLS-id_316172508	294.396	OWHRVJGGBJVDKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054937
CC(c1nnsc1C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318600160	294.396	VJTHCKHSRXOWDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054938
CCCC/N=C(NCCOC)/NCc1nnc2n1CCC2	ZINC22_75583109,PC-id_75532570	294.396	LNZSPPFJAPQTSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054939
CCNC(=NCc1nnc2n1CCC2)NCCCOCC	PC-id_111020173	294.396	YYRCXEZUHOGPET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054940
CCNC(=NCc1nnc2n1CCC2)NCC(OC)(C)C	PC-id_111605089	294.396	GZHZTWQYFNKTRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054941
CN(C(=O)Nc1sc2c(n1)CCC2)Cc1nccs1	EMOLS-id_318456878	294.396	XJYDXRXMNBIYRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054942
CN(C(=O)Nc1sc2c(n1)CCC2)Cc1ncsc1	EMOLS-id_318508178	294.396	ADZGJPSSWRKLBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054943
N#Cc1c(NC(=O)C2CCSCC2)nc2n1CCS2	EMOLS-id_99351247	294.396	KXYMRIPPJLHWOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054944
NC(=O)c1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_103378436	294.396	GTNCCXLCCIVYII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054945
s1c2CCCc2nc1NC(=O)c1nc(sc1)CCN	PC-id_66388754	294.396	KLXDCQMWIHANLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054946
s1c2CCCc2nc1NC(=O)c1nc(sc1)C(N)C	PC-id_66388755	294.396	SXCQADLCBIRGIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054947
S1(=O)(=O)C(c2c(C1CCCC=C)coc2)CCCC=C	PC-id_85626788	294.409	ULCZNVXZVATOFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054948
CCOC(C1(c2c(C(O1)(C)C)sc(=S)s2)O)O	PC-id_88950978,SCHEMBL12696555	294.411	KXNAWBUJDOYEBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054949
C1CCC(CC1)C(CO)NC(=O)C1CCc2c1scn2	PC-id_90303357	294.412	GAACWHVQIWIXAG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054950
c1(C(=O)O)c2C(C)CCc2nn1C(C)C1CCSCC1	MCULE-4925243331,EMOLS-id_330970547	294.412	LWWFZXBLSNWJEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054951
c1(NC(=O)CCCCCC)sc2c(CCC2)c1C(=O)N	PC-id_84418973,MCULE-9386252944,EMOLS-id_181348509	294.412	QGVBINHXGSOZTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054952
c1(NC(=O)CC(C)(C)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331355,MCULE-4054977337	294.412	VRUNQQBVEGMIAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054953
CC1CCCC(C1C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287575	294.412	ZVFWKQZGIMBLER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054954
CC1CCCCC1CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288089	294.412	XOBBYIGETNRUPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054955
CC1CCC(CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288658	294.412	KISQHSWVJVEFSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054956
CC1CCC(C(C1)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288822	294.412	OKTLIHHAJYCZOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054957
CC1CCC(CC1C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288893	294.412	ILUHEHPXNHAARB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054958
CC1CCCC(C1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105944744	294.412	UEKABPLSNMEDOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054959
CC1CCCC(C1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288155	294.412	DGLSBWSZTICYJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054960
CC1CCCCC1N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288363	294.412	MGGFZLBOMVUQMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054961
CC1CCC(CC1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288436	294.412	GHQLHKZHVPGKAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054962
CC1CC(C)CC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288943	294.412	IBZUCYYGJIPHNI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054963
CC1CCCCCC1Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_104288983	294.412	XSZLXSNZEWIQCI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054964
CC1CCCC(CC1)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_105713323	294.412	PCCINESDYBQRSB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-054965
CCC1CCC(C1C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288925	294.412	GSDSRVOORNLQSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054966
CCC1(CCCC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105901152	294.412	IWCROJYOQOJFKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054967
CCC1CCC(CC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288145	294.412	NMLMFLYYEJXLKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054968
CCC1CCCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288419	294.412	NISKMQVPVJJFQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054969
CC(C1CCCCC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288628	294.412	IEDPQWAENXHRNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054970
CCC1CCCC(C1)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_104288908	294.412	HDSZQXCNBUWLIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054971
CCCC1CC1Nc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_105788413	294.412	VOFAUKXLYBOYCQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054972
CC(CCN(c1nc2c(s1)CCC2C(=O)O)C1CC1)C	PC-id_104288533	294.412	XYKATNBNNBFVKL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054973
CCCN(c1sc2c(n1)C(CC2)C(=O)OCC)C1CC1	PC-id_104287832	294.412	UMZLMSFZADQEFC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054974
C[C@H](CN1CCOCC1)NC(=O)c1cc2c(s1)CCC2	PC-id_94116612,ZINC22_46885860	294.412	OWLLQNVFGVONPO-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054975
C[C@@H](CN1CCOCC1)NC(=O)c1cc2c(s1)CCC2	ZINC22_46885858,PC-id_94116611	294.412	OWLLQNVFGVONPO-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-054976
C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1	PC-id_94096371,ZINC22_46269531	294.412	DEVIZGYDWLNAEC-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-054977
C[C@H](CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1	PC-id_94096372,ZINC22_46269532	294.412	DEVIZGYDWLNAEC-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054978
CCN1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956548	294.412	AVRWVLJUXRTMPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054979
CC(N1CCOCC1)CNC(=O)c1sc2c(c1)CCC2	MCULE-7771370500,EMOLS-id_35700744,PC-id_53500813	294.412	DEVIZGYDWLNAEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054980
CCN(c1nc2c(s1)CCC2C(=O)O)C1CCCCC1	PC-id_104287712	294.412	PUWOWTWJZIQREM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054981
CCN(CC(=O)NC(C)C)C(=O)c1cc2c(s1)CCC2	PC-id_51172799,MCULE-3503281077,ZINC22_169965854,EMOLS-id_50292059	294.412	QZDHHZBZCLHGPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-054982
CC(NC(=O)c1sc2c(c1)CCC2)CN1CCOCC1	EMOLS-id_35709982,MCULE-6437796853,PC-id_53499011	294.412	OWLLQNVFGVONPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054983
CCOC(=O)C1CCc2c1nc(s2)N(C1CCCC1)C	PC-id_104287816	294.412	MKRYGJQXPARFTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054984
CCOC(=O)C1CCc2c1nc(s2)NC1CCCC1C	PC-id_104288768	294.412	CKUSOONFGYWHEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054985
CCOC(=O)C1CCc2c1nc(s2)NC1CCC(C1)C	PC-id_114541642	294.412	SLAHAAMMCMBTBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054986
CCOC(=O)C1CCc2c1nc(s2)NC1CCCCC1	PC-id_104287427	294.412	YWCAWFONHLYLMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-054987
CCOC(=O)C1CCc2c1nc(s2)NC1(C)CCCC1	PC-id_104288887	294.412	QPAQOVMDYWCLHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054988
CCOC(=O)C1CCc2c1nc(s2)NC1(CC)CCC1	PC-id_116217940	294.412	DKOGCQRGABWRDR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-054989
CCOC(=O)C1CCc2c1nc(s2)N(C(C1CC1)C)C	PC-id_104287962	294.412	YORQEDNVDBPQAE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054990
CCOC(=O)C1CCc2c1nc(s2)N(CC1CC1C)C	PC-id_104288835	294.412	UNFTYNNDLBAOMP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054991
CCOC(=O)C1CCc2c1nc(s2)N(CC1CC1)CC	PC-id_104288866	294.412	CMINMZVCACQRPB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054992
CCOC(=O)C1CCc2c1nc(s2)NCC1CC1(C)C	PC-id_105769435	294.412	ULUMHEQGTWECTH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054993
CCOC(=O)C1CCc2c1nc(s2)NC(C1CC1)(C)C	PC-id_105788434	294.412	PHNOJRNFAVFZGO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054994
CCOC(=O)C1CCc2c1nc(s2)N(CC1CCC1)C	PC-id_104288620	294.412	FRCDGZSYTCPSOT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-054995
CCOC(=O)C1CCc2c1nc(s2)NC(C1CCC1)C	PC-id_116327453	294.412	CTSRLLOXWCQWQK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-054996
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCC1	PC-id_104287880	294.412	GCXUVAZYUFEKIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-054997
CCOC(=O)C1CCc2c1nc(s2)NCC1(CC)CC1	PC-id_105713390	294.412	RWQPAVQXRATTSI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-054998
CCOC(=O)C1CCc2c1nc(s2)NCC1(C)CCC1	PC-id_105769392	294.412	UAVLQFYXTBABIM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-054999
CCOC(=O)C1CCc2c1nc(s2)NC(CC1CC1)C	PC-id_104288755	294.412	WPRJCLDXFXXNIX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055000
CCOC(=O)C1CCc2c1nc(s2)NCC(C1CC1)C	PC-id_116121984	294.412	AFVLHRKGPQUKPJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055001
CCOC(=O)C1CCc2c1nc(s2)NCCC1CCC1	PC-id_116142505	294.412	GCGYWWQHKBJFLZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055002
CCOC(=O)C1CCc2c1nc(s2)NCCCC1CC1	PC-id_116422011	294.412	WBEYJZFGZWSNDH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055003
CN1CCC(CC1)NC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956489	294.412	RJEPVFLMZADUFT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055004
CN1CCC(CC1)(O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_100187139	294.412	BOJRJEULVYFEFB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055005
CN(CC1(O)CCN(C1)C(=O)c1sc2c(c1)CCC2)C	MCULE-7558099653,EMOLS-id_46590349,BDE-32165053	294.412	FZEJHGPTVZSCGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055006
CN(C)C[C@@]1(O)CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_257229695	294.412	FZEJHGPTVZSCGE-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055007
CN(C)C[C@]1(O)CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_257229696	294.412	FZEJHGPTVZSCGE-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055008
COC1CCN(C(C1)CN)C(=O)c1sc2c(c1)CCC2	PC-id_115963430	294.412	ACUGVIHUUQQAOI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055009
COc1c(sc2c1CCC2)C(=O)NCCN1CCCC1	PC-id_91956578	294.412	NOMIHKVXAVAEDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055010
COCC1(CCCN1)CNC(=O)c1sc2c(c1)CCC2	MCULE-1088019153,EMOLS-id_302657733,PC-id_121615922	294.412	NMTQDNOBJUPUQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055011
NCC1(CCOCC1)C(=O)NCc1sc2c(c1)CCC2	PC-id_115439415	294.412	PVMIJBYHSXABBK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055012
NCCC1(O)CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_317936550,MCULE-7699702137	294.412	VTWAWNFDDULLNW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055013
O=C(C1(C)CCCOC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181800	294.412	WHLUSRQDIGPBAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055014
O=C(C1CCCOC1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181848	294.412	RGTIAKGZSRYOAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055015
O=C(C1CCOCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181866	294.412	NKDJPRDFEHRTKM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055016
O=C(c1c(N)sc2c1C(C)CC2(C)C)N1CCOCC1	PC-id_106662932	294.412	ULBKXIUEIYAGQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055017
O=C(C1(O)CC(C1)(C)C)NCCc1sc2c(n1)CCC2	EMOLS-id_319350915	294.412	DKWXNXWVWUUSEX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055018
O=C(C[C@@H]1CCC[C@H]1O)NCCc1sc2c(n1)CCC2	EMOLS-id_320137886,MCULE-3497355619	294.412	CMMFJKNYBODAPO-CMPLNLGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055019
OC[C@@H](NC(=O)C1CCc2ncsc12)C1CCCCC1	BindingDB-id_412962,BindingDB_PC-id_90303357,SCHEMBL15903448	294.412	GAACWHVQIWIXAG-GLGOKHISSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055020
OCCNC1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_317945682	294.412	BICFBMKUUXMLDA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055021
OCCN(C(=O)c1sc2c(c1)CCC2)CC1CCCN1	PC-id_106612931	294.412	GYSVYLSXBYIGAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055022
O=C(Nc1sc2c(n1)C(CC2)(C)C)CC1CCCCO1	EMOLS-id_102181737	294.412	HWXUMCNBDBNKFR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055023
O=C(Nc1sc2c(n1)C(CC2)(C)C)CC1CCOCC1	EMOLS-id_102180297	294.412	MFZWJPMSBBPUQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055024
O=C(Nc1sc2c(n1)C(CC2)(C)C)CCC1CCCO1	EMOLS-id_102180183	294.412	NYCCBYVPNDWOJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055025
O=C(Nc1sc2c(n1)C(CC2)(C)C)CCC1COCC1	EMOLS-id_102181731	294.412	HPTMDDBPODEXNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055026
O=C(NCCCN1CCOCC1)c1cc2c(s1)CCC2	ChEMBL-DNDi_CHEMBL1458010,CHEMBL1458010,ZINC22_25326314,PC-id_2315047	294.412	UNHPYCJUGSFQDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055027
OC(=O)C1CCc2c1nc(s2)NC1CCC(CC1)(C)C	PC-id_104288895	294.412	NRIFUYVOBQDTJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055028
OC(=O)C1CCc2c1nc(s2)NC1CCCCC1(C)C	PC-id_104289055	294.412	BBMNERSILGBGLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055029
OC(=O)C1CCc2c1nc(s2)NC1CCCC(C1)(C)C	PC-id_104289154	294.412	VPPZHXAAAWUPTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055030
OC(=O)C1CCc2c1nc(s2)N(C1CCCCCC1)C	PC-id_104288007	294.412	YARYHBSVLUMQTA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055031
OC(=O)C1CCc2c1nc(s2)NC1CCCCCCC1	PC-id_104287541	294.412	CBYAVCUVNJBHDJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055032
OC(=O)C1CCc2c1nc(s2)NCC1C(C1(C)C)(C)C	PC-id_104289040	294.412	DODHABANBKEQQP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055033
OC(=O)C1CCc2c1nc(s2)N(CC1CCCCC1)C	PC-id_104288474	294.412	JRQYMFHIHJVLSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055034
OC(=O)C1CCc2c1nc(s2)NCC1(C)CCCCC1	PC-id_105656166	294.412	PGIPRMWJOXHHQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055035
OC(=O)C1CCc2c1nc(s2)NCCC1CCCCC1	PC-id_104288047	294.412	UBCNDEYOTUTHLI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055036
OC(=O)C1CCc2c1nc(s2)NCCCC1CCCC1	PC-id_106006477	294.412	WEEIDWDPMPVYII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055037
s1c2c(CCC2)cc1CNC(C(=O)N1CCOCC1)C	PC-id_61208559	294.412	JZBWHFNDIYFXHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055038
s1c2c(CCC2)cc1CNCC(=O)NC1CCOCC1	PC-id_63098862	294.412	UCGMKSFEEBWOIQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055039
s1c2c(CCC2)cc1CNC(=O)C1C(NCC)COC1	PC-id_66258319	294.412	ODNLDQGVSSPNFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055040
s1c2CCCc2cc1CNC(=O)COC1CCNCC1	PC-id_63875881	294.412	AMGGSSHSUQKPEI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055041
s1c2c(CCC2)cc1C(=O)N1CCN(CCC1)CCO	PC-id_63308660	294.412	YVOYCMGGLXFMKB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055042
s1c2CCCc2cc1C(=O)NCCOC1CCNCC1	PC-id_63869943	294.412	SUTCXTPHVYVWKV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055043
s1c2CCCc2cc1C(=O)N(CC(=O)NC(C)(C)C)C	PC-id_51275189	294.412	YRPZFOZQONWGQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055044
s1c2C(OC(c2c(C(=O)N2CCCC2)c1N)(C)C)(C)C	PC-id_79917616	294.412	ITXDGFIGKSDSEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055045
s1c(C(=O)N2C(CC(O)C2)CN(C)C)cc2c1CCC2	PC-id_66052572	294.412	MGELWTUZVDCSNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055046
c1(C#N)c2CCCc2sc1N=Cc1ccc(cc1)C(C)C	MCULE-2927426439,PC-id_802535	294.414	GJNFINBNRXQOQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055047
C=CCC1=CC(CC=C1)(C#N)C(=S)C1CCn2c1ccc2	PC-id_88789030,SCHEMBL11500617	294.414	AXQUSWPUMCPFKQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-055048
CC(C)c1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1	SPECS-id_AG-690/11449064,CoCoCo_95326,EMOLS-id_1084369,ZINC22_310263,BAS-00554232,PC-id_5408278	294.414	GJNFINBNRXQOQQ-RGVLZGJSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055049
N#Cc1c(/N=Cc2ccc(cc2)C(C)C)sc2c1CCC2	CoCoCo_95327,GD-id_ZINC00310263	294.414	GJNFINBNRXQOQQ-JAIQZWGSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055050
c1(NC(=O)C2CCCCN2CC)n(C)nc2CSCc12	PC-id_134699894,EMOLS-id_316177329,MCULE-7921352601	294.416	MCDMRLDZESEUDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055051
c1(NC(=O)CN2CCCCCC2)n(C)nc2CSCc12	ZINC22_1506420289,MCULE-1547907731,EMOLS-id_316275008	294.416	AYYCWKYKWJHHFI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055052
CC1CCCCN1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99852671	294.416	OVCBWSUOQCDMOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055053
CC1CCSCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421657	294.416	NLARQHPNLKVQKM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055054
CC1CSCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421654	294.416	XACJDPWFKAWRDV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055055
CC1SCCN(C1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101415780	294.416	IUDCHXIWFDUFGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055056
CC1SCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421666	294.416	DGKSHNOEVFIAIO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055057
CC(C1CCN1C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_99896301	294.416	UAVUIKHEXWLNJW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055058
CCC1SCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417082	294.416	CNTXGYFRJUBWNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055059
CCN1CCCC[C@@H]1C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529114157	294.416	MCDMRLDZESEUDV-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055060
CCN1CCCC[C@H]1C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529114166	294.416	MCDMRLDZESEUDV-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055061
CN1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882655	294.416	BOJWRFSCTNYBIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055062
CNC1CCCN(C1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_119919501	294.416	USBBXILJNJYYEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055063
CN(C1(CSCC1)CNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_100338291	294.416	PLWWBWRUIRZZJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055064
CN(C(=O)N1CCCC1)CCc1[nH]c(=S)n2c1CCC2	PC-id_139294559,SCHEMBL21137074	294.416	LEGFGCBXIXYWHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055065
CSC1(CCC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101369038	294.416	DOYKPYJFGCFERH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055066
CSCC1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418753	294.416	OGJXVZUALNMDLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055067
Nc1c(=O)n2n(c1NCCC[N+]1(C)CCCCC1)CCC2	PC-id_70985780,SCHEMBL13746162	294.416	AAPOWAZMXVOXRR-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-055068
NCC1(C)CCN(C1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_120772381	294.416	HIBUIGPKANXJIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055069
O=C(N1CCSC(C1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101417166	294.416	QNRBLWYBVKWADQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055070
O=C(NC1CCCCC1)NCCc1cn2c(n1)SCC2	CoCoCo_5183058,PC-id_18584040	294.416	UZQZTYFBMUZWFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055071
O=C(NC1CC(n2c1ncc2)C)NCC1(C)CCCS1	EMOLS-id_101369611	294.416	YWEWIRBMAYQLDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055072
O=C(NC1CC(n2c1ncc2)C)NCC1CCCCS1	EMOLS-id_101384515	294.416	ZGRHCUWVZSOVPP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055073
O=C(NC1CC(n2c1ncc2)C)NCC1CCCSC1	EMOLS-id_101486738	294.416	FMTUXHORBPXWSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055074
O=C(NC1CC(n2c1ncc2)C)NCC1CCSCC1	EMOLS-id_101415690	294.416	FSEQPEHAKFIDQS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055075
s1c2CCCc2nc1NC(=O)C(N1CCNCC1)(C)C	PC-id_80549994	294.416	ATXNNSOGHDUSHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055076
s1c2CN(C(C(=O)NC3CCCCC3)C)Cc2nc1N	PC-id_82194270	294.416	WUZSJJYDAPVQEX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055077
S1CCn2c(NC(=O)CCC3CCCCCC3)nnc12	PC-id_73292883	294.416	MEDYPYDJMVEPGH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055078
S1CCn2c(NC(=O)CCCC3CCCCC3)nnc12	PC-id_73292884	294.416	PFBKQGHZLCZJTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055079
CN=C(NCc1nnc2n1CCC2)NCC1CCCS1	PC-id_109667313	294.419	HFGZNMXDHFSIRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055080
CC(c1cccs1)(CNCc1sc2c(n1)CCC2)O	PC-id_109948627	294.436	KYFDBDQIWNHLJZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055081
OC(c1ccsc1)CNC(c1sc2c(n1)CCC2)C	PC-id_110017281	294.436	ZPIUNPXVRUXQML-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055082
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)C(=S)N	PC-id_64425878	294.436	GHQAKSWAPXHICL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055083
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)C(=S)N	PC-id_64441488	294.436	VPHGHFMBIOHDBP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055084
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)C(=S)N	PC-id_64444046	294.436	IOFKARJEEYTDKX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055085
s1c2c(CCC2)cc1C(=O)NC1(CCCC1)C(=S)N	PC-id_61119722	294.436	LKMSAVWITSHKNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055086
s1c2c(CCC2)cc1C(=O)NC1C(CCC1)C(=S)N	PC-id_62957102	294.436	JBUNFSPJZAROOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055087
s1c2CCCc2nc1C(NCCOC)c1ccsc1	PC-id_62541933	294.436	HOJOSOIKPAGAHT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055088
s1c2CCCc2nc1C(NCCOC)c1sccc1	PC-id_62541923	294.436	UHAVRHUDLMJGDW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055089
s1c(C(=O)N(C2CC2)CCC(=S)N)cc2c1CCC2	PC-id_54996996	294.436	UVXSUXUBXILISR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-055090
CC(c1nnc(s1)NCc1sc2c(n1)CCC2)(C)C	MCULE-7013391059,EMOLS-id_318527816	294.439	YEYQCUUSIVFQIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055091
CC(c1nsc(n1)NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318760201,MCULE-6700020590	294.439	YJTNJSRGGSSEDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055092
CC(c1sc2c(n1)CCC2)NCC1(C)CCCCC1O	PC-id_109908800	294.455	HBQJMJXCRQQPEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055093
CC(CN(C1CCCCC1)Cc1sc2c(n1)CCC2)O	PC-id_109974756	294.455	UUKURPMLYKETHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055094
COCCNC(c1sc2c(n1)CCC2)(CC1CCC1)C	PC-id_116224339	294.455	SLTCPSATQOJCFB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055095
NCC(C(=O)NCc1sc2c(c1)CCC2)CC(C)(C)C	PC-id_107471805	294.455	TYXVEMTYHHYGEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055096
NNC(C1CC(OC1(C)C)(C)C)c1sc2c(c1)CCC2	PC-id_105341649	294.455	ZCMIMSYUOSBXCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055097
OC1CCCCC1CCCNCc1sc2c(n1)CCC2	PC-id_109948730	294.455	BIJYXZQLGIJFEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055098
OCCC1(CCCCC1)CNCc1sc2c(n1)CCC2	PC-id_109948699	294.455	UEPRTBNRPMHRQT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055099
OCCC(C1CCCCC1)NCc1sc2c(n1)CCC2	PC-id_109948784	294.455	VEHWPZHNXCKMSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055100
O=C(CC(CC(C)(C)C)N)NCc1sc2c(c1)CCC2	PC-id_116275191	294.455	KKLBMDQONHKPPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055101
s1c2c(CCC2)cc1CNCC1OCCN(C1)C(C)C	PC-id_64534705	294.455	LUISMPOTYCNLBF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055102
s1c2c(CCC2)cc1CNC(C(=O)NCCCCC)C	PC-id_61206873	294.455	QCVJWCSZQLDDAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055103
s1c2c(CCC2)cc1CNC(C(=O)NCCC(C)C)C	PC-id_61207425	294.455	IBVYVCPCIVJYMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055104
s1c2c(CCC2)cc1CNC(C(=O)NC(CC)CC)C	PC-id_61207426	294.455	XKVSAXIWYNZBRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055105
s1c2c(CCC2)cc1CNC(C(=O)NC(CCC)C)C	PC-id_61207608	294.455	AEXFPPCTXCWYMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055106
s1c2c(CCC2)cc1CNC(C(=O)NC(CC)(C)C)C	PC-id_61207609	294.455	OAZVLDVJOFHBKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055107
s1c2c(CCC2)cc1CNC(=O)CC(CC(C)C)CN	PC-id_65502881	294.455	SAONDAYRYMGISU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055108
s1c2c(CCC2)cc1CNC(=O)CCC(CCN)CC	PC-id_64343674	294.455	XXUDRLZULOHYJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055109
s1c2c(CCC2)cc1CNC(=O)CCC(CCN)(C)C	PC-id_65292546	294.455	ZMPOCYYZJJQABD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055110
s1c2c(CCC2)cc1CNC(=O)C(CCCC(N)C)C	PC-id_65292547	294.455	QWILJYFHEJFKCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055111
s1c2c(CCC2)cc1CNC(=O)C[C@H](CC(C)C)CN	PC-id_65502882	294.455	SAONDAYRYMGISU-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055112
s1c2c(CCC2)cc1C(=O)N(CC(CN)(C)C)CCC	PC-id_79668181	294.455	LTYYJMOKJQVFGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055113
s1c(nc2c1CCC2)C(NC1CC1)(CC(OC)(C)C)C	PC-id_61335475	294.455	NCPVFSKDGAUYDS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055114
s1c(nc2c1CCC2)C(NCCOC)(C1CCCC1)C	PC-id_62632844	294.455	NWISOHPDGXJHGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055115
s1c(nc2c1CCC2)C(NCCOC)C1CCCCC1	PC-id_62542102	294.455	STNNPHKYQLKKMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055116
CC(c1nnc2n1CCC2)NC1CSC(C1)C(C)(C)C	EMOLS-id_318197005,MCULE-1182693256	294.459	BEBXDXHBFSVSAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055117
CCSc1nn2c(c1)N=NC2CCCCCCC(C)C	PC-id_70124984,SCHEMBL7546816	294.459	AWGSCGCEKBQIPH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-055118
CN1CCN(C(C1)C(NCc1sc2c(n1)CCC2)C)C	MCULE-9272992922,EMOLS-id_319925836	294.459	MXWNBCRPOHJSQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055119
C[Si]1(CCCN1CCCn1c(c2CCCc2c1O)O)C	PC-id_91573015	294.465	BBMXQOWMPAOLJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055120
CCCCCCCCCCC(c1sc2c(c1)CCC2)O	PC-id_115789088	294.495	GJPKMYKWUMRQEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055121
CCNC(c1sc2c(n1)CCC2)(CC(C)C)CC(C)C	PC-id_114868558	294.498	DNEJRIZJUQAETE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055122
s1c(nc2c1CCC2)C(NC(C)C)(CC(CC)C)CC	PC-id_61336008	294.498	QOVIVYLOZVQGQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055123
s1c(nc2c1CCC2)C(NCCC)(CC(CC)C)CC	PC-id_63405739	294.498	KHBGJCNQVDMHRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055124
CCCCCCCCCC(c1sc2c(c1)CCC2)NN	PC-id_105293334	294.499	KFQOYFWIIKIJSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055125
CCCCCCCCCC(c1sc2c(n1)CCC2)NC	PC-id_108410841	294.499	QIYFNANRXQXSGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055126
s1c(nc2c1CCC2)C(NC(C)C)(CCCCCC)C	PC-id_63405443	294.499	NTSRWELXPJNJQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055127
s1c(nc2c1CCC2)C(NC(C)C)CCCCCCC	PC-id_63405444	294.499	KQCOBHIICBXVSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055128
s1c(nc2c1CCC2)C(NCCC)(CCCCCC)C	PC-id_63405825	294.499	FYJPBTOOEOYPDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055129
s1c(nc2c1CCC2)C(NCCC)CCCCCCC	PC-id_63405826	294.499	GXFOOKDIJWMOTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055130
s1c(nc2c1CCC2)C(NCC)(CCCCCCC)C	PC-id_63405860	294.499	OOBPHKPFSOGCMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055131
CCCCCCC1Sc2sc(=S)sc2S1	EMOLS-id_28204756,MCULE-8030805983,PC-id_44629827,ZINC22_44069444	294.543	RMWMTOWGAZGYGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055132
c1cc(c(c(c1N)F)C(=O)c1c[nH]c2=[N+]=C(C=c12)Cl)F	PC-id_90743874	294.664	DRUKNFPOTWJQKR-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-055133
OC(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl	SCHEMBL19609386	294.694	PIIDYTZNWNAUHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055134
OC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl	SCHEMBL19583898	294.694	PIIDYTZNWNAUHB-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055135
OC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccnc(c1)Cl	SCHEMBL19583765	294.694	DKACEQIDAVEZRQ-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055136
Clc1c(C(=O)NCc2n3CCCc3nn2)c(F)ccc1	PC-id_52024815	294.712	XFZZDRYFNPYZHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055137
O=C(c1nccc(c1F)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319193967	294.712	CZVYUXFLIFZRLB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055138
O=C(NC1CCn2c1ncc2)Nc1cc(F)cc(c1)Cl	EMOLS-id_319745373	294.712	SUUHENMMJDWBCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055139
O=C(NCc1nnc2n1CCC2)c1ccc(Cl)cc1F	CoCoCo_4560565,ZINC22_12770530,EMOLS-id_16788828,PC-id_17537576,MCULE-3030920514	294.712	BQAFKEFWTMZJOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055140
O=C(NCc1nnc2n1CCC2)c1cc(Cl)ccc1F	CoCoCo_4491091,ZINC22_13001558,MCULE-4071155530,EMOLS-id_16702310,PC-id_17508912	294.712	LHORMYJKCKOJEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055141
O=C(Cc1c(Cl)onc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319821846	294.737	UIKWBAYRRMGLPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055142
Cc1nn(C)c(Cl)c1C(=O)NCc1nnc2n1CCC2	MCULE-2857849868,PC-id_53519949,EMOLS-id_35689940,ZINC22_54905859	294.74	FPWPVMKSXFYNGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055143
CC(n1nc(c(c1)Cl)NC(=O)C1NCc2c1c[nH]n2)C	MCULE-2570597455,EMOLS-id_320192000	294.74	AONIZLBUCOTGCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055144
CC1CCc2c1c(CO)nn2Cc1cccc(Cl)c1F	EMOLS-id_331009275,MCULE-3202802305	294.752	OONRKSGSJHIJQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055145
CC1CCc2c1c(CO)nn2Cc1cccc(F)c1Cl	EMOLS-id_331007227,MCULE-2785133761	294.752	RQPLFHDUDXNIEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055146
CC1CCc2c1c(CO)nn2Cc1ccc(Cl)cc1F	MCULE-4981620625,EMOLS-id_331009787	294.752	PUAAEEUILHMFIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055147
CC1CCc2c1c(CO)nn2Cc1ccc(Cl)c(F)c1	EMOLS-id_331007228,MCULE-4149129947	294.752	OHZXLEXKKRANDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055148
CC1CCc2c1c(CO)nn2Cc1ccc(F)cc1Cl	MCULE-7522220251,EMOLS-id_331006715	294.752	MMDZJYPIJGFBQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055149
CC1CCc2c1c(CO)nn2Cc1ccc(F)c(Cl)c1	MCULE-3750363528,EMOLS-id_331009019	294.752	FVADVOSUPAAEPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055150
CC1CCc2c1c(CO)nn2Cc1cc(F)ccc1Cl	EMOLS-id_331006971,MCULE-5232683070	294.752	IGSWKCNRGJLTAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055151
CC1CCc2c1c(CO)nn2Cc1cc(F)cc(Cl)c1	MCULE-6297204016,EMOLS-id_331009531	294.752	GNJWCRHWDYKUHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055152
CC1CCc2c1c(CO)nn2Cc1c(F)cccc1Cl	MCULE-3237571710,EMOLS-id_331006459	294.752	HPPZPYRNJIGJQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055153
CC1CCc2nn(Cc3cccc(Cl)c3F)c(CO)c12	EMOLS-id_330992054,MCULE-4049274636	294.752	NDOBTYVFLATXGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055154
CC1CCc2nn(Cc3cccc(F)c3Cl)c(CO)c12	MCULE-4919205792,EMOLS-id_330990006	294.752	PSUXTOQCGGVRTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055155
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(CO)c12	EMOLS-id_330992566,MCULE-6612707098	294.752	JVKZEXRQVUWUSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055156
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(CO)c12	MCULE-6898802029,EMOLS-id_330990007	294.752	GMZMMNUPBTYAMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055157
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(CO)c12	MCULE-9025404609,EMOLS-id_330993589	294.752	AFDRJHJZNFYFHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055158
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(CO)c12	EMOLS-id_330991798,MCULE-6493214016	294.752	CFMLOQOFLHLRDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055159
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(CO)c12	MCULE-6427887155,EMOLS-id_330989750	294.752	DAZCMXZHZBQBRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055160
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(CO)c12	MCULE-2845258142,EMOLS-id_330992310	294.752	DRCZWENFVQJIND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055161
CC1CCc2nn(Cc3c(F)cccc3Cl)c(CO)c12	MCULE-2322547555,EMOLS-id_330993333	294.752	WWOIAHVIOATXCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055162
COc1cccc(Cn2nc3CCC(C)c3c2Cl)c1F	EMOLS-id_331019438,MCULE-6379765865	294.752	HTFSIZWXBCFRPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055163
COc1cccc(Cn2nc(Cl)c3C(C)CCc23)c1F	EMOLS-id_330977009,MCULE-8998190378	294.752	GHLOMQPGUOUENY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055164
COc1cccc(F)c1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330957232,MCULE-7141327620	294.752	OYOUUBFBMDRMRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055165
COc1cccc(F)c1Cn1nc(Cl)c2C(C)CCc12	MCULE-4609779474,EMOLS-id_330976243	294.752	OARJWDZWHHDENZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055166
COc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1F	EMOLS-id_331020974,MCULE-3810839544	294.752	CZUMWMVVBFGEIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055167
COc1ccc(Cn2nc3CCC(C)c3c2Cl)c(F)c1	MCULE-1337315661,EMOLS-id_331021230	294.752	SSZUJBMQBSXRCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055168
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)cc1F	MCULE-3196997706,EMOLS-id_330974450	294.752	XKRUWFHQRDXHKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055169
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)c(F)c1	EMOLS-id_330974706,MCULE-1158383574	294.752	WQQYQMPQSHNRIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055170
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1Cl	MCULE-5347086633,EMOLS-id_330956976	294.752	OXAHKJKMLPPETR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055171
COc1ccc(F)cc1Cn1nc(Cl)c2C(C)CCc12	MCULE-6263013303,EMOLS-id_330975987	294.752	LGPQRHLVIOHVPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055172
COc1ccc(F)c(Cn2nc3CCC(C)c3c2Cl)c1	EMOLS-id_331019182,MCULE-5974140559	294.752	KZMLTFOYRNFJOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055173
COc1ccc(F)c(Cn2nc(Cl)c3C(C)CCc23)c1	MCULE-7305837960,EMOLS-id_330976753	294.752	BZAHGYBHQJATQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055174
COc1cc(Cn2nc3CCC(C)c3c2Cl)ccc1F	MCULE-4568551531,EMOLS-id_331019694	294.752	GQCVZZORIWWQSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055175
COc1cc(Cn2nc(Cl)c3C(C)CCc23)ccc1F	EMOLS-id_330977265,MCULE-1046352009	294.752	JHAZTAVBRUROOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055176
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330957488,MCULE-6030474123	294.752	FSJLMTXURMFXOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055177
COc1cc(F)ccc1Cn1nc(Cl)c2C(C)CCc12	MCULE-7874326623,EMOLS-id_330976499	294.752	FRUNOWMUQFMISX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055178
COc1cc(F)cc(Cn2nc3CCC(C)c3c2Cl)c1	MCULE-2162257655,EMOLS-id_331019950	294.752	HCONWOBXJBBVKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055179
COc1cc(F)cc(Cn2nc(Cl)c3C(C)CCc23)c1	MCULE-6538449860,EMOLS-id_330973426	294.752	GJFUIOAVXQOMQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055180
COc1c(F)cccc1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330957744,MCULE-6053439692	294.752	NUPNYXXYZIQMHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055181
COc1c(F)cccc1Cn1nc(Cl)c2C(C)CCc12	MCULE-9319301047,EMOLS-id_330976755	294.752	BFJUJESNPFRCFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055182
CC1CC(c2n1ncn2)NC(c1c(F)cccc1Cl)C	EMOLS-id_318688006,MCULE-2674362470	294.755	WHVHWJOQWMEIPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055183
CC1CC(c2n1ncn2)NCCc1c(F)cccc1Cl	MCULE-9581394394,EMOLS-id_318520617	294.755	YREVKCNTFMTVJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055184
Cc1cc(F)c(c(c1)Cl)CNCc1nnc2n1CCC2	EMOLS-id_318573612,MCULE-9149468716	294.755	JUSCEBPVMJJFSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055185
CC(c1ccc(c(c1)Cl)F)NCc1nnc2n1CCC2	EMOLS-id_318662656,MCULE-9818604894	294.755	NPYTZDJYVWUBPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055186
CC(c1ccc(c(c1)F)Cl)NC1CC(n2c1ncn2)C	MCULE-9405288865,EMOLS-id_318176621	294.755	UQTMOOLGHHUREV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055187
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)Cl)F	MCULE-6877664914,PC-id_81144868,EMOLS-id_317950131	294.755	AOMFHKDQTRWRRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055188
CC(c1nnc2n1CCC2)NCc1cccc(c1F)Cl	MCULE-6229326817,EMOLS-id_318055533,PC-id_115695793	294.755	JTJNPNJBZUAODH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055189
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)F)Cl	MCULE-7428204348,PC-id_61652909,EMOLS-id_317953206	294.755	RKMPUBXSEPFOSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055190
Clc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)F	EMOLS-id_317921401,MCULE-2700297300,PC-id_115761683	294.755	MMVHXRNZFOLDGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055191
Clc1ccc(c(c1)F)CNC(c1nnc2n1CCC2)C	EMOLS-id_317967683,MCULE-7602239478,PC-id_114842004	294.755	YFDZJQVQUIOSCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055192
Clc1ccc(c(c1)F)C(NCc1nnc2n1CCC2)C	MCULE-7014759738,EMOLS-id_318704692	294.755	CZJMBQHLOQSTMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055193
Clc1c(CNC(c2n3CCCc3nn2)C)c(F)ccc1	PC-id_43748157,EMOLS-id_318116138,MCULE-7452890422	294.755	OJGXEESHMSOPRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055194
Fc1ccc(c(c1)Cl)[C@H](NC1CC(n2c1ncn2)C)C	EMOLS-id_318757124	294.755	GFHMXTBWCNLNHF-XQVHRTOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055195
Fc1ccc(c(c1)Cl)[C@@H](NC1CC(n2c1ncn2)C)C	MCULE-3905301398,EMOLS-id_318701547	294.755	GFHMXTBWCNLNHF-JVVWGOMOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055196
Fc1ccc(c(c1)Cl)CNC(c1nnc2n1CCC2)C	EMOLS-id_317978752,PC-id_103792513,MCULE-7123697480	294.755	JNWVYIXRGPDTLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055197
Fc1ccc(c(c1)Cl)C(NCc1nnc2n1CCC2)C	EMOLS-id_318587693,MCULE-2920179297	294.755	YCJXBEAITPOBNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055198
Fc1cc(CNC(c2nnc3n2CCC3)C)cc(c1)Cl	PC-id_114452601,EMOLS-id_317980017,MCULE-2796381479	294.755	OHPHEFBTOFSFHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055199
Clc1ccc(CC(=O)Nc2onc3c2CSC3)cc1	PC-id_49719077	294.757	DWWXRYUSRAOWRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055200
Clc1ccc(CNC(=O)C2COc3ncsc23)cc1	SCHEMBL15903894,BindingDB_PC-id_78318486,PC-id_78318486,BindingDB-id_412882	294.757	FMRTVAPCJIBVQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055201
Clc1cc(c(Nc2sc3CCCc3n2)cc1)C(=O)O	PC-id_63539006	294.757	HHUHRQMUGPRXLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055202
Clc1c(CC(=O)Nc2onc3c2CSC3)cccc1	PC-id_49719100	294.757	POZSCGPNLJYVOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055203
Clc1cc(C(=O)Nc2sc3CCCc3n2)ccc1O	PC-id_33039189	294.757	INWUTEPCJGTBHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055204
Clc1cc(C(=O)Nc2sc3CCCc3n2)c(O)cc1	PC-id_60716011	294.757	FWXNVUZUUSFCDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055205
Clc1cc(O)c(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_60716032	294.757	CMNMKBDYWYLCAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055206
Clc1sc2CCC(Nc3ccc([N+](=O)[O-])cc3)c2c1	PC-id_81251953	294.757	IDHAHPITGJRINW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055207
Clc1sc2CCC(Nc3cc([N+](=O)[O-])ccc3)c2c1	PC-id_81251725	294.757	JHLSHJGDRKBKSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055208
Clc1sc2CCC(Nc3c([N+](=O)[O-])cccc3)c2c1	PC-id_81251842	294.757	ROVLQADPXBFFHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055209
Oc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_106501575	294.757	NOEUUNQJKIFPHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055210
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)Cl	PC-id_104287584	294.757	WEDAHAAWRIRCOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055211
OC(=O)C1CCc2c1nc(s2)Nc1ccccc1Cl	PC-id_104287598	294.757	XRLHAZHEPQGJSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055212
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)Cl	PC-id_113395658	294.757	NYLNSHHSBUYZLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055213
C1Cc2c(C1)sc(c2C(=O)Nc1cnc(cn1)Cl)N	PC-id_135200335,SCHEMBL20353916	294.76	GIPOBQBHQSTYCV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-055214
c1(NC(=O)c2ccc(nc2)Cl)n(C)nc2CSCc12	MCULE-7768880448,EMOLS-id_334563006	294.76	WIQYEXAMUNYZHE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055215
c1(NC(=O)c2ccnc(Cl)c2)n(C)nc2CSCc12	EMOLS-id_334562750,MCULE-2345223559	294.76	IZIZRMXKGMUYDA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055216
c1(NC(=O)Cc2ccc(cc2)Cl)nnc2SCCn12	ZINC22_8600619,CHEMBL1594085,EMOLS-id_16349475,CoCoCo_2590529,PC-id_16031433,MCULE-6561250152	294.76	CGVHBLWTKOFZHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055217
Cc1nc(Cl)nc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_114219528	294.76	GIQDPWXMCGKRCS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-055218
Clc1ccc(NC(=O)N2Cc3sc(nc3C2)N)cc1	PC-id_82194213	294.76	BATBMVVVPGUVLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055219
Clc1ccc(NC(=O)Nc2sc3CNCc3n2)cc1	PC-id_82194102	294.76	VKTHTCPZIBJSCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055220
Clc1cc(C(=O)Nc2sc3CCCc3n2)cnc1N	PC-id_62186155	294.76	FDMXEFFYEZLAHG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055221
Clc1cc(NC(=O)N2Cc3sc(nc3C2)N)ccc1	PC-id_82194212	294.76	DDYXABJYIWKDDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055222
Clc1cc(NC(=O)Nc2sc3CNCc3n2)ccc1	PC-id_82194101	294.76	PGVISOXFGLMDRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055223
Clc1c(nc(N)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_62185988	294.76	AKDVJZPCIBZQOB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055224
Clc1ncc(c(c1)C(=O)Nc1sc2c(n1)CCC2)N	PC-id_105613866	294.76	KORMQRMWNMLZHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055225
Clc1nc(N)cc(C(=O)Nc2sc3CCCc3n2)c1	PC-id_62185989	294.76	YLNCJDQVUSDGCW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055226
Nc1cnc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_108153867	294.76	BUKNSQKQGFRKRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055227
Nc1ncc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_114923045	294.76	QDNYOFSZVVEGDB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055228
N#Cc1c(snc1Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318670233,MCULE-7849656078	294.763	VIUIKBYLTYDFIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055229
N#Cc1nc(sc1Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318507605,MCULE-7458284781	294.763	JVGCGUWIGHNUNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055230
N#Cc1sc(nc1Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318428344,MCULE-9483386436	294.763	MZDBBHKBKHBHTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055231
Clc1ccc(c(c1)CC(=O)c1sc2c(c1)CCC2)F	PC-id_103052552	294.772	NZGMSAGGIXKXIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055232
Clc1ccc(c(c1)F)CC(=O)c1sc2c(c1)CCC2	PC-id_115815974	294.772	HWOVNSAUSQNRBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055233
Clc1c(CC(=O)c2sc3CCCc3c2)c(F)ccc1	PC-id_61055662	294.772	NYZIKUSNKRQJHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055234
Clc1c(C(=O)c2sc3CCCc3c2)cc(c(F)c1)C	PC-id_81045341	294.772	VINNJNPHJLXGCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055235
ClC(C(=O)c1sc2CCCc2c1)c1ccc(F)cc1	PC-id_81243318	294.772	QENXIKNRMMUDBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055236
Fc1ccc(c(c1)CC(=O)c1sc2c(c1)CCC2)Cl	PC-id_113717315	294.772	ITUQTEAQJIDWLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055237
Fc1ccc(c(c1)Cl)CC(=O)c1sc2c(c1)CCC2	PC-id_113656595	294.772	HZWBSNKLILUWNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055238
O=C(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Cl)F	PC-id_103042747	294.772	GGBTYPIPBFNDSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055239
O=C(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)F	PC-id_115797583	294.772	ODWGJTOALZHDPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055240
O=C(c1sc2c(c1)CCC2)Cc1cccc(c1F)Cl	PC-id_102865614	294.772	BXYYXMQUTZQJTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055241
O=C(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)Cl	PC-id_107890760	294.772	SILKUTJZDMZRLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055242
ClCS(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_39939317,PC-id_55244295	294.778	KLAQURLAVJNMGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055243
CC(c1nnc2n1CCC2)NCc1n(C)nc(c1Cl)C	EMOLS-id_318768660,MCULE-8493567503	294.783	YUHJFUDSFZUOKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055244
Clc1cc(C(O)c2sc3c(CCC3)c2)ccc1OC	PC-id_61101573	294.796	PFFHWDWBTDHLCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055245
Clc1c(C(O)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_61082880	294.796	GBQCYESVCSIIBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055246
COc1ccc(cc1C(c1sc2c(c1)CCC2)O)Cl	PC-id_104546225	294.796	PMFNXHOECAWYII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055247
COc1cc(ccc1Cl)C(c1sc2c(c1)CCC2)O	PC-id_115817960	294.796	ONWGTGJLKSTUND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055248
CCCn1ncc(c1C(=O)c1sc2c(c1)CCC2)Cl	PC-id_113662144	294.8	JRGARKAPXIJFLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055249
CC(n1ncc(c1C(=O)c1sc2c(c1)CCC2)Cl)C	PC-id_113662032	294.8	NXKRHPRJQJAZFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055250
Clc1cc(C(N)c2sc3CCCc3n2)ccc1OC	PC-id_65026756	294.8	JNTTUWRWQGKZLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055251
Clc1n(nc2c1CSC2)CCCOc1ccccc1	PC-id_83192488	294.8	PLUWDUHCNXEONR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055252
Clc1sc2c(c1)C(CC2)NCc1ccc(=O)n(c1)C	EMOLS-id_318898542	294.8	YUBIRRXVDXSTBX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055253
Clc1sc2CCC(Nc3ccc(OCC)nc3)c2c1	PC-id_81252308	294.8	BGHHQLKUIIWCGO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055254
Clc1sc2CCC(Nc3cn(CC)c(=O)cc3)c2c1	PC-id_81251959	294.8	GFOQAFOFLUBRGF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055255
Clc1sc2CCC(Nc3c(OCC)nccc3)c2c1	PC-id_81252058	294.8	HYWOUXRAARPXKF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055256
Clc1sc2CCC(NCc3ccc(OC)nc3)c2c1	PC-id_81252778	294.8	MZQOAORUHJEALP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055257
Clc1sc2CCC(NCc3cc(OC)ncc3)c2c1	PC-id_81252406	294.8	PKAMXNJBOHFAQV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055258
Clc1sc2CCC(NCc3c(OC)nccc3)c2c1	PC-id_81252587	294.8	YZKXVMNZORWAES-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055259
COc1cccc(c1C(c1sc2c(n1)CCC2)N)Cl	PC-id_104816933	294.8	MNASBVCQFQYIHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055260
COc1ccc(c(c1)NCc1sc2c(n1)CCC2)Cl	EMOLS-id_318017368,MCULE-7841596473	294.8	VLGGKJLAGYBWKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055261
COc1cc(NCc2sc3c(n2)CCC3)ccc1Cl	EMOLS-id_318313769,MCULE-1080622668	294.8	KRVKQOCMOHFAFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055262
COc1ncnc(c1)CC(c1sc2c(c1)CCC2)Cl	PC-id_104304267	294.8	KIESTWKORKFARJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-055263
OCc1ccc(c(c1)NCc1sc2c(n1)CCC2)Cl	PC-id_109948796	294.8	UWSTYOCTSFXQQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055264
O=C(c1sc2c(c1)CCC2)Cc1c(C)nn(c1Cl)C	PC-id_113661287	294.8	XFJHNXAOSWXHSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055265
O=C(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Cl)C	PC-id_114979296	294.8	GHJXOBGSNMTIRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055266
Cc1c(Cl)nnc(c1C)NCc1sc2c(n1)CCC2	MCULE-6217189843,EMOLS-id_318551883	294.803	UVIYCFYTSSMQET-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-055267
Cc1ccnc(c1Cl)NCCc1cn2c(n1)SCC2	EMOLS-id_318259149,MCULE-6721335981	294.803	VFUBHJGAFXHCRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055268
Cc1nccc(c1Cl)NCCc1cn2c(n1)SCC2	EMOLS-id_318481743,MCULE-2828149287	294.803	HLMULPOAMIAQAX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055269
ClC(c1sc2c(CCC2)c1)c1cc(c(F)c(c1)C)C	PC-id_65296902	294.815	COFZNWFJTDWNHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055270
Fc1cc(C)c(c(c1)C)C(c1sc2c(c1)CCC2)Cl	PC-id_106879723	294.815	DPXHAFYNJUWPNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055271
Clc1cc2c(s1)CCC2NCCCS(=O)(=O)N	PC-id_81251316,EMOLS-id_260686123	294.821	ULGNGEYLPAMOBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055272
Clc1cc2c(s1)CCC2NCCNS(=O)(=O)C	EMOLS-id_314845073,PC-id_81252380	294.821	BUAFHINSCZYIOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055273
ClCCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_116816047,EMOLS-id_314551890	294.821	QFAAMJMRAJIAMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055274
ClCC(CS(=O)(=O)Nc1sc2CCCc2n1)C	EMOLS-id_42375075,PC-id_79585337	294.821	IRWIXIYTWIGLOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055275
CNS(=O)(=O)CCNC1CCc2c1cc(s2)Cl	PC-id_102676087	294.821	UEROEZIRIBZOSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055276
O=C1NC(=O)c2c1c(Br)oc2Br	PC-id_144576355	294.885	RVURVNCOXHOFGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055277
C12=C(SN=C1C(=O)NC2=O)NI	PC-id_147814412	294.891	HNZYPRXIPLXWBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055278
CS(=O)(=O)NC1CCC2=C1C=C(S2)Br	PC-id_165396834,EMOLS-id_337927625	294.934	XBGAHCCNHMNEQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055279
CCCC1=C(SC2=C1CCS2(=O)=O)S(=O)(=O)N	PC-id_161752933	295.001	XMPLLMBCMXEGAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055280
C1CN2C=CC=C2C1(C(=O)C3=CC(=CS3)Cl)C(=O)O	PC-id_152778730	295.007	BACIRMAFFXFANH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-055281
C1CN2C=C(C=C2C1C(=O)O)C(=O)C3=CC(=CS3)Cl	PC-id_160415794	295.007	QVXFVEGIVIFARQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-055282
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)I	SCHEMBL19718898	295.035	ALCICGBIVJYXJL-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055283
C[C@@H](C1=C(C=CC(=C1)Cl)Cl)NC2CCN3C2=NC=C3	EMOLS-id_318009751,PC-id_154740761	295.064	ZFKHEWQBWRDYNL-LLTODGECSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055284
c12CC(Cn1nc(Br)c2C(=O)OCC)(F)F	MCULE-5872417960,EMOLS-id_320440342	295.081	DUPVQDCDWAWCFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055285
CCOC(=O)c1nn2CC(F)(F)Cc2c1Br	MCULE-7921732064,EMOLS-id_320439830,SCHEMBL21315275,PC-id_139451435	295.081	WJQHEDQRKPJAPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055286
Clc1c(C(=O)c2c3n(CC(=O)N3)cc2)c(Cl)ccc1	PC-id_12708168	295.121	RNMYOBBOAZKKMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055291
Brc1ccn(c(=O)c1)Cc1nnc2n1CCC2	EMOLS-id_319302117	295.135	NPIVYCZBBKCQAM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055292
c12CN(Cc1sc(CO)c2I)C	MCULE-8074950418,EMOLS-id_330873159	295.141	OHVZLHUDEGBZRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055293
c12CN(Cc1sc(I)c2CO)C	MCULE-5282176025,EMOLS-id_331064362	295.141	NPCFZLUCPTXOQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055294
c1(CNC)c2COCc2sc1I	MCULE-6330418524,EMOLS-id_331066145	295.141	XIUZBRFHKFMSFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055295
CC(C)C1C2=C(CN1C(=O)OC(C)(C)C)C=C(O2)C(=O)O	PC-id_154602984	295.142	TZGUZFOWLCXPBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055296
CC(C)(C)OC(=O)NCCC(=O)C1=C2N(CCN2N=C1)N	PC-id_154199403	295.164	DAEHWOPGFXVBGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055297
CCN1C2=C(CN(C2)C(=O)OC(C)(C)C)N=C1C(=O)NN	PC-id_153944152	295.164	RMPYZZQGDCWMPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055298
CCOC(CN1C2=C(CCC2)C=C1C(=O)OCC)OCC	PC-id_164749447	295.178	MTXSYIDSLBAKOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055299
Brc1ccc(Nc2nc3CCCc3s2)cc1	CoCoCo_556956,PC-id_956367,MCULE-7215838678,ZINC22_562870,EMOLS-id_2507490	295.198	HRLZEMFLEVKNLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055300
CC1CCc2c1c(CCl)nn2Cc1ccccc1Cl	MCULE-6539363874,EMOLS-id_331024397	295.207	UMUKDQPRJGZWCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055301
CC1CCc2c1c(CCl)nn2Cc1ccc(Cl)cc1	EMOLS-id_331025678,MCULE-2326223887	295.207	BHNJKTYTXSLSLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055302
CC1CCc2c1c(Cl)nn2Cc1ccc(C)cc1Cl	EMOLS-id_330974709,MCULE-3253169451	295.207	MPLNCIYELNPSEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055303
CC1CCc2c1c(Cl)nn2Cc1cccc(C)c1Cl	EMOLS-id_330975221,MCULE-9793292056	295.207	DQWGSXFDJNQUBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055304
CC1CCc2c1c(Cl)nn2Cc1cc(C)ccc1Cl	EMOLS-id_330975477,MCULE-2378615717	295.207	XTRBBTTXGKTFQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055305
CC1CCc2c1c(Cl)nn2Cc1c(C)cccc1Cl	MCULE-5479229879,EMOLS-id_330974965	295.207	OYHQXZPXNJSQIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055306
CC1CCc2c1c(Cl)nn2Cc1cc(C)cc(Cl)c1	EMOLS-id_330973686,MCULE-5011471292	295.207	KTHLXFDFAQSEFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055307
CC1CCc2c1c(Cl)nn2Cc1ccc(C)c(Cl)c1	MCULE-3284420940,EMOLS-id_330977269	295.207	QYSHATMGEDEQER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055308
CC1CCc2c1c(Cl)nn2Cc1cccc(Cl)c1C	EMOLS-id_330973430,MCULE-8715781182	295.207	KIFBRJZFMGQOBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055309
CC1CCc2c1c(Cl)nn2Cc1ccc(Cl)cc1C	EMOLS-id_330975990,MCULE-2645770663	295.207	XZWXUVADRBFZEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055310
CC1CCc2c1c(Cl)nn2Cc1ccc(Cl)c(C)c1	MCULE-9598358302,EMOLS-id_330976246	295.207	AOAVJMUQXREQSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055311
CC1CCc2c1c(Cl)nn2Cc1cc(Cl)ccc1C	EMOLS-id_330973942,MCULE-8321372560	295.207	PEELBUHPJDGWMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055312
CC1CCc2nn(Cc3ccccc3Cl)c(CCl)c12	EMOLS-id_331008439,MCULE-9586284389	295.207	SNFKCXUXPRYPGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055313
CC1CCc2nn(Cc3c(C)cccc3Cl)c(Cl)c12	EMOLS-id_330960049,MCULE-4430241596	295.207	DUAFJBFDYKCXGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055314
CC1CCc2nn(Cc3cccc(C)c3Cl)c(Cl)c12	EMOLS-id_330960305,MCULE-7229476971	295.207	JFVJZHBFOGGDBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055315
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(Cl)c12	MCULE-4134306620,EMOLS-id_330959793	295.207	PDTAULZGOYUBRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055316
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(Cl)c12	MCULE-9407755532,EMOLS-id_330960561	295.207	WOYRZVKOGVTSQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055317
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(Cl)c12	EMOLS-id_330958258,MCULE-3599744169	295.207	XEIBIRDDVQTCIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055318
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(Cl)c12	EMOLS-id_330958770,MCULE-8013240671	295.207	YIBZTUQICAAZSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055319
CC1CCc2nn(Cc3cccc(Cl)c3C)c(Cl)c12	EMOLS-id_330958514,MCULE-2055811306	295.207	FSJUIBFRYUOIOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055320
CC1CCc2nn(Cc3ccc(Cl)cc3)c(CCl)c12	EMOLS-id_331009720,MCULE-4262484021	295.207	IZJSKSSYIKNLSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055321
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(Cl)c12	MCULE-3984572169,EMOLS-id_330956979	295.207	XQCVVCNHJQMBQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055322
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(Cl)c12	MCULE-2123895392,EMOLS-id_330957235	295.207	TUDPMTCYIJNQON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055323
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(Cl)c12	MCULE-1622775847,EMOLS-id_330959026	295.207	XYHMAMIOGJHFTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055324
FC(Oc1ccc(nc1)NC(=O)N1CCn2c1ncc2)F	EMOLS-id_318454707,MCULE-8211124178	295.245	UIKXPKBZFPYXJB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055325
COC(=O)c1c2CC(=O)N(n2c(c1C(=O)OC)C)C(=O)N	PC-id_101052747	295.248	KHHNGKUIVFAVOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055326
Fc1cc(F)c(c(c1)F)CNC(=O)c1occ2c1CCC2	EMOLS-id_318607340	295.256	GUHAYZIOUBVDNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055327
FC(F)(F)c1ccc(C(=O)c2c3CCCc3oc2N)cc1	PC-id_83447141	295.256	JDWDTMXUCUTLCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055328
FC(F)(F)c1cc(C(=O)c2c3CCCc3oc2N)ccc1	PC-id_83447142	295.256	UPKGFIPVWZINNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055329
FC(F)(F)c1c(C(=O)c2c3CCCc3oc2N)cccc1	PC-id_83447143	295.256	BYVRQSPXCDSPBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055330
c1(C(=O)Nc2ccccc2C(F)(F)F)c2CCCc2[nH]n1	MCULE-1334970748,PC-id_110388922,EMOLS-id_179744833	295.26	WEBSTDHOLSZTIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055331
c1(C(=O)Nc2ccc(cc2)C(F)(F)F)c2CCCc2[nH]n1	PC-id_110388923,MCULE-9292426435,EMOLS-id_179744837	295.26	GJGXEMHOFSIKJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055332
c1(C(=O)Nc2ccccc2C(F)(F)F)cn2c(CCC2)n1	EMOLS-id_321296347,MCULE-1661309265	295.26	IQKUFLLOKNAEII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055333
c1(C(=O)Nc2cccc(c2)C(F)(F)F)cn2c(CCC2)n1	MCULE-6181702916,EMOLS-id_321296603	295.26	UPJNZXXFTOAMKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055334
c1(C(=O)Nc2ccc(cc2)C(F)(F)F)cn2c(CCC2)n1	MCULE-7856577199,EMOLS-id_321296859	295.26	KTQCNLXAEPSCMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055335
c1(C(=O)Nc2ccc(c(F)c2F)F)c2CCCc2n(C)n1	EMOLS-id_179745517,PC-id_110389151,MCULE-4589201717	295.26	CWADUUPJNLXOQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055336
C(=O)(Nc1cccc(C(F)(F)F)c1)c1c2CCCc2[nH]n1	EMOLS-id_6825593,MCULE-7080382389,PC-id_5300659,ZINC22_4625931,CoCoCo_1987516,CoCoCo_1987515	295.26	GERQKPCPAJBLNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055337
Fc1cc(cc(c1)C(F)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_319219290	295.26	OGCDDCSZQOVVKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055338
Fc1cc(cc(c1)C(F)F)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318831787	295.26	NXZFQJYUPHXTRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055339
Fc1cc(F)c(c(c1)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319302922	295.26	BCUIOQAXOZNULX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055340
Fc1cc(NC(=O)c2cc3n(n2)CCC3)cc(c1)C(F)F	MCULE-4792331116,EMOLS-id_320280965	295.26	HQYDNESKJMQTMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055341
FC(F)(F)c1cc(C(=O)Nc2n[nH]c3CCCc23)ccc1	PC-id_9922172	295.26	STTUTCOOFPFOCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055342
O=C(c1ccc(c(c1F)F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318897222	295.26	VNTYIRINRKFJIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055343
O=C(c1cc(F)c(c(c1)F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318924630	295.26	NESNOIPHQJVNGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055344
O=C(c1cc(F)c(cc1F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319154035	295.26	GTQLXYRPWLAZBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055345
C1COc2c(c(nn12)C(=O)NCCC(c1ccco1)O)F	PC-id_91960069	295.266	YIYVQBPDSJDZMX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-055346
OC(=O)C1CCc2c1nc(s2)CCOCC(F)(F)F	PC-id_103146554	295.278	GBDADKVDWVGXQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055347
FC(n1nc(c(c1C)NC(=O)c1occ2c1CCC2)C)F	EMOLS-id_318528351	295.285	KYBXYHFLMRMFSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055348
O=C(c1oc(cc1C)C(F)F)NCc1n[nH]c2c1CCC2	MCULE-7779861253,EMOLS-id_320012833	295.285	QKXCZWIWHQUDQW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-055349
c1(C(F)F)c2CCCc2n(CC(=O)Nc2cc(C)[nH]n2)n1	ZINC22_36613905,PC-id_19590980,EMOLS-id_8867457,MCULE-9735246804	295.288	CPPLQQQOXWZEPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055350
CCOC(=O)c1cc2c([nH]1)C(CC2)(OC(=O)C)OC(=O)C	PC-id_68374387,SCHEMBL12777532	295.288	ZKVPLJPVUMISAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055351
Cn1nc(c(c1)C(=O)NCc1cnc2n1CCC2)C(F)F	MCULE-7912529793,EMOLS-id_320174035	295.288	HVWRSRUACQHNKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055352
Cn1nc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C(F)F	EMOLS-id_319695844	295.288	HACMDVUHTNNGJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055353
FC(C(n1cccn1)CNC(=O)c1nn2c(c1)CCC2)F	EMOLS-id_319273007	295.288	IRLPVHNINIIOBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055354
FC(C(n1cccn1)CNC(=O)c1n[nH]c2c1CCC2)F	EMOLS-id_319119312	295.288	FLKWOQGXRCXLQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055355
FC(Cn1ccc(n1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_319912220,MCULE-5299004223	295.288	PMXZQYNOYPOFCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055356
FC(Cn1ccc(n1)C(=O)NCc1n[nH]c2c1CCC2)F	MCULE-6033203492,EMOLS-id_320207466	295.288	VBMJRUPXQKNBFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055357
FC(Cn1nccc1C(=O)NCc1cnc2n1CCC2)F	MCULE-5474782996,EMOLS-id_320161812	295.288	FASNZSQAEKQUKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055358
FC(n1nc(c(c1C)NC(=O)c1cnc2n1CCC2)C)F	EMOLS-id_318756548	295.288	LQDQEBWPDKXRIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055359
FC(n1nc(c(c1C)NC(=O)c1cnn2c1CCC2)C)F	EMOLS-id_318709661	295.288	OOTUACSCCPCTDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055360
O=C(c1cc2n(n1)CCC2)Nc1c(C)nn(c1C)C(F)F	EMOLS-id_318504888	295.288	NNPWWZMKQKONCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055361
O=C(c1cnn(c1C(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_319879147,MCULE-2561000949	295.288	OAEIQYFPXNDEOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055362
O=C(c1nn(c(c1)C(F)F)C)NCc1cnc2n1CCC2	MCULE-2425297974,EMOLS-id_319969601	295.288	OJUVAAWGLYLQOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055363
O=C(Cn1ccc(n1)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_319674839	295.288	WDCSESZDACUDDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055364
O=C(Cn1ccc(n1)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319520915	295.288	MFDYBJZHSYXBTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055365
C#Cc1ccc(cc1)C(=O)c1ccc2n1CCC2OC(=O)O	SCHEMBL10818741,PC-id_88673195	295.289	IIDPDDHHZYRNNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055366
C#COc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL17369583,PC-id_118604675	295.289	HMOHUAYPPYAFEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055367
CC(NC(=O)c1oc2c(n1)CN(C2)C(=O)CCC(=O)O)C	PC-id_97515418	295.291	LFFFGXXGZLNJLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055368
OC(=O)N1CCC(CC1)CN1CCn2c1c(cn2)[N+](=O)[O-]	PC-id_67437951,SCHEMBL2522269	295.294	PAAZPUTZXVPQTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055369
c12c(C#N)c(nn1C(C(=O)N2)CC(=O)Nc1ccccc1)C	MCULE-9360608408,EMOLS-id_49218891,PC-id_135636115,SPECS-id_AN-153/NB27379	295.296	KABFDDIZJCLDMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055370
C1COc2cc(nn12)C(=O)Nc1ccc(cc1)c1cnc[nH]1	PC-id_91959830	295.296	LNUKDRQTJPFUOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055371
Cc1nn2c(c1C#N)NC(=O)[C@H]2CC(=O)Nc1ccccc1	ZINC22_96194530,PC-id_136807881	295.296	KABFDDIZJCLDMW-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055372
Cc1nn2c(c1C#N)NC(=O)[C@@H]2CC(=O)Nc1ccccc1	ZINC22_96194531,PC-id_136807882	295.296	KABFDDIZJCLDMW-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055373
CC(=O)N1Cc2c(C1)[nH]nc2N(C#N)C(=O)c1ccccc1	SCHEMBL4020705,PC-id_87611118	295.296	IEEKIFQCWJBEKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055374
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C#N)c2C1	CHEMBL202793,SCHEMBL2921722,BindingDB_PC-id_23645982,PC-id_23645982,BindingDB-id_21786	295.296	INFKSNNETMNNPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055375
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68440762,SCHEMBL2918929	295.296	KIAQZCUWBPDNPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055376
N#Cc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	SCHEMBL4020701,PC-id_68880211	295.296	KLWBMCLJECUHIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055377
NC(=O)N1Cc2c(C1)[nH]nc2NC(=O)C#Cc1ccccc1	SCHEMBL2916704,PC-id_68440032	295.296	WJEYBKHWVNAWMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055378
O=C(Nc1ccccc1c1nn[nH]n1)c1occ2c1CCC2	MCULE-3812433517,PC-id_146096715,EMOLS-id_324047423,ZINC22_1586502748	295.296	AAXIBMBGCXYFFY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055379
c1(C(=O)Nc2ccc(cc2)n2cnnn2)c2CCCc2[nH]n1	MCULE-1045104653,EMOLS-id_323253951	295.299	PJPMNLCWILBZRA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055380
c1(C(=O)Nc2cccc(c2)n2cnnn2)c2CCCc2[nH]n1	MCULE-3536094550,EMOLS-id_323260346	295.299	PLVKGSJAUOCFFR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055381
FC(F)(F)c1oc2c(CCC2)c1C(N)c1ccc(cc1)C	PC-id_83610565	295.3	ROYTVKNFUNHCAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055382
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)C(F)(F)F	MCULE-5143212130,EMOLS-id_330964467	295.303	BQOOANJQEQUHAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055383
CC1CCc2c1c(N)nn2Cc1cccc(c1)C(F)(F)F	EMOLS-id_330964724,MCULE-2665430167	295.303	WTGWWDJULIABEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055384
CC1CCc2c1c(N)nn2Cc1ccccc1C(F)(F)F	MCULE-1056979899,EMOLS-id_330962676	295.303	WOBFFLHEVCXDHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055385
CC1CC(c2n1ccn2)NCc1ccc(cc1)C(F)(F)F	EMOLS-id_318165953,MCULE-1728510630	295.303	XDXIKAFIJHWRJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055386
CC1CC(c2n1ccn2)NCc1cccc(c1)C(F)(F)F	EMOLS-id_318218671,MCULE-2640292577	295.303	MLUCDMRSRYUSSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055387
CC1CC(c2n1ccn2)NCc1ccccc1C(F)(F)F	EMOLS-id_318287808,MCULE-4736758321	295.303	VWTJLKMNFRASKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055388
CC1CC(c2n1ccn2)NC(C(F)(F)F)c1ccccc1	EMOLS-id_318088689,MCULE-9157303947	295.303	HKXNDLIFXRHIDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055389
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(N)c12	EMOLS-id_331011745,MCULE-5465489096	295.303	XFCRXPNFJHZZQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055390
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(N)c12	EMOLS-id_331013536,MCULE-6860691287	295.303	KRSJLDSNIBEZSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055391
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(N)c12	EMOLS-id_331013793,MCULE-5643269210	295.303	GFHDCJJAFUWPRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055392
Cc1c(cccc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318134189,MCULE-4633074635	295.303	DXSBWMPLFBWTQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055393
Cc1ccc(cc1C(F)(F)F)NCc1cnc2n1CCC2	MCULE-3957951770,EMOLS-id_318219860	295.303	DAKOFXMKTPRHPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055394
Cc1ccc(cc1NCc1cnc2n1CCC2)C(F)(F)F	EMOLS-id_318052285,MCULE-9751265316	295.303	MKILHMUCDACRNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055395
Cc1cc(NCc2cnc3n2CCC3)ccc1C(F)(F)F	EMOLS-id_318058832,MCULE-7388494839	295.303	LUURKZMLSPTPII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055396
Cc1cc(NCc2cnc3n2CCC3)cc(c1)C(F)(F)F	EMOLS-id_318304276,MCULE-6736865609	295.303	XSXHDMXVBCPJFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055397
CC(c1ccccc1C(F)(F)F)NC1CCn2c1ncc2	MCULE-2447900988,EMOLS-id_318687091	295.303	FRRHEQOPTSUIDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055398
Fc1cc(F)c(c(c1)F)CNC(c1nn2c(c1)CCC2)C	MCULE-6660162734,EMOLS-id_318739063	295.303	SWIRIRQGYXSBKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055399
FC(c1ccccc1CCNC1CCn2c1ncc2)(F)F	EMOLS-id_318254166,MCULE-6689588282	295.303	UOMFACVQGCETOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055400
FC(c1ccc(cc1)CCNC1CCn2c1ncc2)(F)F	MCULE-3248649774,EMOLS-id_318119910	295.303	MNEVSXZEYZUNHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055401
FC(c1ccccc1CNCc1cnc2n1CCC2)(F)F	EMOLS-id_318208090,MCULE-1416761235	295.303	TZPURWGRXLTWFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055402
FC(c1cccc(c1)CNCc1cnc2n1CCC2)(F)F	MCULE-1852244877,EMOLS-id_318301215	295.303	UTARHCMFGDPNPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055403
FC(c1ccc(cc1)CNCc1cnc2n1CCC2)(F)F	MCULE-8401927691,EMOLS-id_318051770	295.303	PXYAFOQJAQQMOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055404
FC(C(c1ccccc1)CNC1CCn2c1ncc2)(F)F	EMOLS-id_318115986,MCULE-8940021490	295.303	OCTXWMGGHCJPKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055405
FC(Cc1cccc(c1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318389770,MCULE-3254191585	295.303	BQPJLYXJSBKPBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055406
FC(Cc1ccccc1NCc1cnc2n1CCC2)(F)F	MCULE-2019706746,EMOLS-id_318108993	295.303	SJJAHOQKKVTWBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055407
FC(Cc1ccc(cc1)NCc1cnc2n1CCC2)(F)F	MCULE-8631394528,EMOLS-id_318053052	295.303	ZUXFSRHKKIYNPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055408
FC(C(c1ccccc1)NCc1nn2c(c1)CCC2)(F)F	MCULE-8562895721,EMOLS-id_318182786	295.303	SLUOTJLMAGGZJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055409
FC(CC(c1ccccc1)NC1CCn2c1ncc2)(F)F	EMOLS-id_318684908,MCULE-7821647577	295.303	MCBDLAHXYPJXIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055410
OC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1F)F	PC-id_104287340	295.304	MRDGLMOEBXJMOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055411
OC(=O)C1CCc2c1nc(s2)Cc1cc(F)cc(c1)F	PC-id_104287289	295.304	CQNFHEFJPIKDHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055412
Fc1cc(N)c(c(c1)C(=O)Nc1sc2c(n1)CCC2)F	PC-id_107120878	295.308	KMLYBVXDJSJDRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055413
FC(c1ccc(cn1)C(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318591501	295.308	GQYGMWDKXLQIEL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055414
O=C(C(c1ccccn1)(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_318501393	295.308	HGAXNBZPVJNKFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055415
s1c2CCCc2nc1NC(=O)c1cc(F)c(N)c(F)c1	PC-id_63185579	295.308	JHLUKSWSQREVBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055416
s1c2CCCc2nc1NC(=O)c1cc(N)c(F)cc1F	PC-id_61507413	295.308	ZGJZUBQWMDJEHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055417
s1c2CCCc2nc1NC(=O)c1c(F)c(N)ccc1F	PC-id_79772891	295.308	FUMKIFVKMLZZNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055418
s1c2CCCc2nc1NC(=O)c1c(N)cc(F)c(F)c1	PC-id_61990480	295.308	RNLGVYWXWQOVDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055419
FCC1(CCN(C1)C(=O)c1n(C)nc2c1CCC2)C(=O)O	EMOLS-id_318951090	295.309	JODIJHNZMBSRAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055420
S1c2[nH]c(=O)sc2C(C(=O)c2ccc(F)cc2)C1=O	PC-id_16443902	295.309	BBQRWQJKAKQTLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055421
c1(NC(=O)C=CC(=O)O)sc2c(CCC2)c1C(=O)OC	PC-id_1722675,MCULE-8742944942	295.311	YBYMBGPWJJKZNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055422
c1(NC(=O)/C=C/C(=O)O)sc2c(CCC2)c1C(=O)OC	SPECS-id_AT-084/J158732,CoCoCo_116406,Chemmine_59418,PC-id_5397935,EMOLS-id_25801257,SPECS-id_AN-153/I120924,ZINC22_134073,MCULE-3980193132	295.311	YBYMBGPWJJKZNZ-AATRIKPKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055423
COC(=O)c1c(NC(=O)/C=CC(=O)O)sc2c1CCC2	ZINC22_101127930,CoCoCo_116407	295.311	YBYMBGPWJJKZNZ-WAYWQWQTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055424
s1c2CCCc2cc1C(=O)OCC(=O)N1CCOC1=O	PC-id_8752732	295.311	WVMJTYQYYJZDKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055425
Cc1ccoc1/C(=N/S(=O)(=O)c1cnc2n1CCC2)/O	ZINC22_330032889,MCULE-3279366584,EMOLS-id_73013294,PC-id_121590875	295.314	TWWBKIGTZBVBLK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-055426
Cc1occc1C(=O)NS(=O)(=O)c1cnc2n1CCC2	PC-id_146127447,ZINC22_789788192	295.314	OMNDKZDZUWEZBF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-055427
O=C1CCC(C(=O)N1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104289018	295.314	NPPDXVCFRRKZJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055428
OC(=O)C1CCc2c1nc(s2)NC1CC(=O)N(C1=O)C	PC-id_104288997	295.314	ITSKAOFKOFKMRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055429
s1c2CCCc2cc1C(=O)NNC(=O)C1C([N+](=O)[O-])C1	PC-id_46490973	295.314	XDKFBRBXPWRDFH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-055430
Cn1ncc(c1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057227	295.318	UYEIQCZPOBEZKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055431
COc1ccc(nn1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101163218	295.318	FWKGLQRADQGDRL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-055432
COc1cnc(nc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97768319	295.318	ATGGLZKSKLADIC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-055433
O=C(c1nn2c(c1)CCC2)NS(=O)(=O)c1nccn1C	EMOLS-id_319053186	295.318	LATOWFYTCGWLHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055434
O=S(=O)(c1cnc2n1CCC2)Nc1nnc(o1)C1CC1	EMOLS-id_101159372	295.318	XWHMIGOSROLSQF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-055435
O=S(=O)(c1cnc2n1CCC2)Nc1noc(n1)C1CC1	EMOLS-id_97700489	295.318	QRNNSHVORJGLHB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-055436
COC1(OC)CCN(CC1O)C(=O)c1occ2c1CCC2	EMOLS-id_316620534	295.331	ZPCIZAMMVUNAJR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055437
COC1(OC)CCOCC1NC(=O)c1occ2c1CCC2	EMOLS-id_316553381	295.331	SQHIELCPMSLVNV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055438
o1c2c(CN(C2)C(=O)OC(C)(C)C)c(c1C(C)C)C(=O)O	PC-id_84815470	295.331	FZGOLUAVTNNISZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055439
O=C1CCn2c1c(COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)cc2	UNPD53370	295.331	PEXXPJGXHPCDGN-BONVTDFDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055440
O=C(OCc1ccn2c1C(=O)CC2)C(O)(C(O)C)C(C)C	CNP0268074	295.331	PEXXPJGXHPCDGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055441
CCc1cc2n(c1C(=O)c1ccc(cc1)C)CC=C2C(=O)O	PC-id_70619088,SCHEMBL11602478	295.332	FBBHEAGOMXAYQM-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-055442
C=Cc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)O	SCHEMBL10818198,PC-id_20253941	295.332	VLVTZRVCOIHDJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055443
CCCc1cc2n(c1C(=O)c1ccccc1)CC=C2C(=O)O	SCHEMBL11603347,PC-id_70619261	295.332	MOPRTHYOEAHCOW-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-055444
C=CCC1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)O	PC-id_70474900,SCHEMBL10926748	295.332	YBGYKZZTJFXDEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055445
C=CCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_70450908,SCHEMBL10818784	295.332	OTYVWMJLXRTBBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055446
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	SCHEMBL10815459,PC-id_13487006	295.332	LYKREWLWGYMFEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055447
Cc1ccc(c(c1)F)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318235661	295.333	GZELNCHBVZUYMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055448
Cc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_316653615	295.333	WCZFNLYZJJZBOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055449
Cc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316410633,MCULE-8220348211	295.333	FSQPERRBINDOEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055450
Fc1ccccc1CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316408584,MCULE-5400303193	295.333	RVZSGSODSGCPGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055451
Fc1cccc(c1C)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-3674347318,EMOLS-id_316410120	295.333	QOTLGEDSPWLIOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055452
Fc1cccc(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318479463	295.333	WSEVQQICFLGTFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055453
Fc1ccc(cc1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318627404	295.333	ZVIQWQSZHUVRJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055454
Fc1ccccc1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318965254	295.333	VTIMMGJJLWSVQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055455
Fc1ccc(cc1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319848961	295.333	NPDYDJLTXWEMIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055456
Fc1c(C)cc(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316726770	295.333	VRUFSKKSOBPEJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055457
c12CN(Cc1nn(C)c2C(=O)OC(C)(C)C)C(=O)OCC	EMOLS-id_324348259,MCULE-4295654644	295.334	YTYHUZKHEDGKJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055458
c12CN(Cc1nn(CC)c2C(=O)OC)C(=O)OC(C)(C)C	EMOLS-id_324344172,MCULE-2120963897	295.334	RYSKLGHKKDRSKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055459
c12CN(Cc1nn(C(C)(C)C)c2C(=O)OCC)C(=O)OC	EMOLS-id_324344943,MCULE-5491517097	295.334	OLYLSDQPHJHFHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055460
c12CN(Cc1nn(C(C)(C)C)c2C(=O)OC)C(=O)OCC	MCULE-9683299391,EMOLS-id_324343916	295.334	LSLMYGXBWIIAJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055461
c1(C(=O)OCC)[nH]nc2CC(NC(=O)OC(C)(C)C)Cc12	PC-id_102568803,MCULE-2840264945,EMOLS-id_50380029	295.334	LWSVFVANDQKWQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055462
CCC1N(Cc2c(nn(C)c12)C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_337808369	295.334	ARRZRUIPBNHBEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055463
CC(C)C[C@H](CNC(=O)c1cc2n(n1)CCO2)CC(=O)O	ZINC22_585135013,MCULE-3773052155,EMOLS-id_177346744	295.334	TZHCFVVMRQUMIT-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-055464
CC(C)n1cc2C(N(Cc2n1)C(=O)OC(C)(C)C)C(=O)O	EMOLS-id_259640399,MCULE-2498598476	295.334	OBAKFZJRAXDPMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055465
CCCn1cc2C(N(Cc2n1)C(=O)OC(C)(C)C)C(=O)O	MCULE-1205922268,EMOLS-id_259640402	295.334	HMZJQOWLYUZBMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055466
CCNC(=O)OCc1c2C(CCn2cc1)OC(=O)NCC	PC-id_91991897	295.334	HSVBSCFAUCISCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055467
CCOC(=O)c1c2CN(Cc2nn1C)C(=O)OC(C)(C)C	ZINC22_95740414,MCULE-2558139827,PC-id_118798369,EMOLS-id_46114431	295.334	ALLVPNWWSHJSJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055468
CCOC(=O)c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380635,PC-id_118614366	295.334	SKTCBNKGRPKOIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055469
CCOC(=O)c1n[nH]c2c1C[C@@H](C2)NC(=O)OC(C)(C)C	PC-id_99996655	295.334	LWSVFVANDQKWQI-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055470
CCOC(=O)c1n[nH]c2c1C[C@H](C2)NC(=O)OC(C)(C)C	PC-id_99996659	295.334	LWSVFVANDQKWQI-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055471
COC1(OC)CCN(CC1O)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316657641	295.334	XZKBTJZVVAKSOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055472
COC1(OC)CCOCC1NC(=O)c1cnn2c1CCC2	MCULE-1891267069,EMOLS-id_320187346	295.334	YKPFTYUXNSMZIX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055473
COC1(OC)CCOCC1NC(=O)c1n[nH]c2c1CCC2	MCULE-9714754742,EMOLS-id_258140152	295.334	OYFPGBRSTVHPMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055474
OC([C@H]1COC(O1)(C)C)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319537375	295.334	ASHKMONYGOZUJT-RRKGBCIJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055475
OC([C@H]1COC(O1)(C)C)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318870867	295.334	RMNVDJNCUOKCCR-PIJUOVFKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055476
OC([C@H]1COC(O1)(C)C)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319967773	295.334	NDQDVEMGFHDFJE-RRKGBCIJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055477
O=C(N1Cc2c(C1)c(nn2C(C)C)C(=O)O)OC(C)(C)C	PC-id_105528392	295.334	GVXADJOUMNRIKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055478
O=C(N1Cc2c(C1)c(n(n2)C(C)C)C(=O)O)OC(C)(C)C	PC-id_105528396	295.334	SNVNPFGLHDHRED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055479
s1c2c(CCC2)c(c1NC(=O)C(=O)NC(C)C)C(=O)[O-]	PC-id_8029770	295.334	TXWVOXVEEQGVER-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-055480
s1c2c(CCC2)c(c1NC(=O)N1CCOCC1)C(=O)[O-]	PC-id_8057244	295.334	CVLMPASSIGMAAU-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-055481
OCC#Cc1cccc(c1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_320114500,MCULE-5195167347	295.336	AROHJRLIEWZELF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055482
OCC#Cc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319248167	295.336	SMXYHVRVZWLRND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055483
O=C(c1scc(n1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_116696876	295.337	URCPIGZQHQDVML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055484
s1c2c(CCC2)c(c1NC(=O)c1nnsc1)C(=O)O	PC-id_65214438	295.337	CZGPVTFJDLIOBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055485
CC1(CCCN2CCNCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_141088083	295.338	VGXJADQLHLMGDB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055486
CC(C)(C)OC(=O)NCCC(=O)Nc1c2NCCn2nc1	PC-id_135800728,SCHEMBL5497846	295.338	FREXLRKEUPHCHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055487
Cc1cccc(c2nnc([C@@H](C)N3Cc4c[nH]nc4C3)o2)c1	ZINC22_2325803517	295.339	LTQVGLGYTGFETM-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055488
Cc1cccc(c2nnc([C@H](C)N3Cc4c[nH]nc4C3)o2)c1	ZINC22_2325803518	295.339	LTQVGLGYTGFETM-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-055489
Cn1nccc1c1ccccc1OCc1nnc2n1CCC2	EMOLS-id_319398763	295.339	YTWLQTAXZVQSRV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055490
COc1ccccc1c1cn(Cc2cc3n(n2)CCC3)nn1	ZINC22_900567894,PC-id_146140970	295.339	ABBNLJTZTQVBCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055491
N#Cc1ccc(cc1)NCC(=O)NCc1nn2c(c1)CCC2	EMOLS-id_177321655,MCULE-2713899324	295.339	YXFJPKVBQCKTGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055492
N#Cc1ccc(cc1)NCC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319712038	295.339	ARCZHIBAVGZOGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055493
N#CCCN(Cc1cccnc1)C(=O)c1cnc2n1CCC2	MCULE-5462459920,EMOLS-id_316930530,ZINC22_596964026	295.339	ABRGUHKMOSEZNG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055494
O=c1[nH]c(nn1Cc1nn2c(c1)CCC2)Cc1ccccc1	EMOLS-id_319359416	295.339	YECPIVKVYNIVLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055495
NN/C(=NN)/c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	PC-id_145281941	295.341	XUPAVWYVYHPXHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055496
CC1CC(c2n1ncn2)NCc1cccc(c1)n1ncnc1	EMOLS-id_319997843,MCULE-6150706584	295.342	IFSPGKBMJJDFPE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055497
Cc1[nH]nc(n1)c1ccnc(c1)NCc1nn2c(c1)CCC2	MCULE-4352297297,EMOLS-id_319820188	295.342	FDIJNBRBFDTKGN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-055498
Cn1c(c2CCCc2n1)CNc1nncn1c1cnccc1	MCULE-6616683184,EMOLS-id_317780678,PC-id_136569645	295.342	ZTJXAGUOKFSCMI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-055499
s1c2c(CCC2)cc1C(N)c1c(F)cc(OC)cc1F	PC-id_60966073	295.348	ORCVUNLYDKMBGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055500
s1c2c(CCC2)cc1CNCc1cc(F)c(O)c(F)c1	PC-id_79832226	295.348	QXZIVZQWRLEZQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055501
CC(c1c(F)cncc1F)NCc1sc2c(n1)CCC2	EMOLS-id_318054608,MCULE-2380315971	295.351	JUDBPBOKTULNJY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055502
FC(c1ccnc(c1)NCCc1sc2c(n1)CCC2)F	EMOLS-id_319489258	295.351	OFNGFAJLDJRFOV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055503
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)OC	TIMTEC76889,PC-id_2861929,CHEMBL1481482,EMOLS-id_1094292,MCULE-1778898024	295.354	BJKNNDAQWOQRHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055504
CC1OCC(C1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114824337	295.354	PCDCEVGXPXXMAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055505
C=CCOCC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	MCULE-3381417317,EMOLS-id_72616913,PC-id_121953992	295.354	MTNOMLQAHZDDEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055506
C[C@H]1OC(CN(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_120244713	295.354	BFDYFBSKLICTQL-HNHGDDPOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055507
CCOC(=O)c1c(NC(=O)CC(=O)C)sc2CCCc12	EMOLS-id_327982604,PC-id_18071882,MCULE-7143774486	295.354	FTYVDTQFSHSSRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055508
CCOC(=O)C=C1CSc2n1ccc2C(=O)OC(C)C	PC-id_139819576	295.354	OUOVVNFMNGLZKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055509
COC(=O)C1CC(CN1C(=O)c1sc2c(c1)CCC2)O	PC-id_115971333	295.354	NUISYSDHPUDWMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055510
COC(=O)[C@@]1(C[C@H](C1)O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319226681	295.354	HDXVTSYHCIRLTG-DEZZCRIOSA-N	00001010100000000000000010000000000000000000000000000000	25-01-055511
COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_681537,PC-id_706050,ZINC22_91799	295.354	BJKNNDAQWOQRHL-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-055512
COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	ZINC22_91798,CoCoCo_681536,PC-id_706049	295.354	BJKNNDAQWOQRHL-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055513
COC(=O)C1COCCN1C(=O)c1sc2c(c1)CCC2	PC-id_115670207	295.354	WODMUJRURCXMSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055514
O=C(C1CCC(O1)C(=O)O)NCc1sc2c(c1)CCC2	PC-id_102688290	295.354	AZIUURMEYLUJCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055515
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)(O)C(=O)O	EMOLS-id_72274907,PC-id_119250892,MCULE-5396771419	295.354	FNHUSCJRIOJXFE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055516
O=C(c1sc2c(c1)CCC2)NC1(CCOCC1)C(=O)O	EMOLS-id_71316427,MCULE-9312492533	295.354	MYACCWCEOWSIOE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055517
O=C([C@@H]1CC[C@@H](O1)C(=O)O)NCc1sc2c(c1)CCC2	PC-id_102945023	295.354	AZIUURMEYLUJCP-WDEREUQCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055518
O=C(N1CCOC(C1)(C)C(=O)O)c1sc2c(c1)CCC2	EMOLS-id_278914863	295.354	JNMZEQWVRLCODR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055519
OC(=O)CC1(CCOC1)NC(=O)c1sc2c(c1)CCC2	MCULE-8993729305,PC-id_121883649,EMOLS-id_72479408	295.354	AQYZMZHVPFFSHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055520
OC(=O)CC1OCCN(C1)C(=O)c1sc2c(c1)CCC2	MCULE-9079911994,EMOLS-id_51922083,PC-id_66421941	295.354	IZASVSTWXIFQFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055521
OC(=O)COC1(C)CN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_102657602	295.354	LYZOSSGXZYMBJH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-055522
s1c2c(CCC2)cc1C(=O)N1C(CC(OC)C1)C(=O)O	PC-id_24710036	295.354	OIRIBMRFZSGEQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055523
s1c2c(CCC2)cc1C(=O)N1C(COCC1)CC(=O)O	PC-id_80417926	295.354	MCWVKOZVLHSBGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055524
s1c2c(CCC2)cc1C(=O)N1CC(OCC1)C(=O)OC	PC-id_78926984	295.354	PSDBDRBRKFEQHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055525
s1c2c(CCC2)cc1C(=O)NC1C(COC1)(C)C(=O)O	PC-id_66255300	295.354	ONTOVWMAXICABW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055526
s1c2c(CCC2)cc1C(=O)N(C1C(COC1)C(=O)O)C	PC-id_66236950	295.354	SGFMBBUZPXHDMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055527
s1c2c(CCC2)cc1C(=O)NCC1OC(CC1)C(=O)O	PC-id_80011148	295.354	NRRQGNVFCVTDCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055528
s1c2c(CCC2)c(c1NC(=O)C1CCCOC1)C(=O)O	PC-id_62758625	295.354	BWQXDTBJBWWRJW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055529
s1c2c(CCC2)c(c1NC(=O)C1CCOCC1)C(=O)O	PC-id_43328006	295.354	UXQQFCWBMSYNPJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055530
s1c2c(CCC2)c(c1NC(=O)C1C(OCC1)C)C(=O)O	PC-id_79750304	295.354	IBOCXELYDYOMCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055531
s1c2c(CCC2)c(c1NC(=O)C1(OCCC1)C)C(=O)O	PC-id_80182092	295.354	YHWLMOQCTUYOLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055532
s1c2c(CCC2)c(c1NC(=O)C1OC(CC1)C)C(=O)O	PC-id_81324199	295.354	CMTMHFWFSZUBDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055533
s1c2c(CCC2)c(c1NC(=O)C1OCCC1C)C(=O)O	PC-id_81578339	295.354	NYALXZAAYJNBEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055534
s1c2c(CCC2)c(c1NC(=O)C1OCCCC1)C(=O)O	PC-id_62215286	295.354	SDNBOVQXASBYEI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055535
s1c2c(CCC2)c(c1NC(=O)CC1OCCC1)C(=O)O	PC-id_65157466	295.354	LFSSLWLOKQXRJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055536
s1c2c(CCC2)c(c1NC(=O)CCC(=O)C)C(=O)OC	PC-id_65416510	295.354	RASOEVZCEPAWBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055537
CN1CCC(CC1)(F)C(=O)N1Cc2c(C1(C)C)[nH]nc2N	PC-id_59333909,SCHEMBL3323131	295.356	PUQUUWAIIMORED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055538
c1(NC(=O)CNC(=O)C)sc2c(CCC2)c1C(=O)NC	MCULE-4734552691,EMOLS-id_334331866	295.357	NTFXUZNMNUAHRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055539
c1(NC(=O)C(=O)NC(C)C)sc2c(CCC2)c1C(=O)N	PC-id_8070968,MCULE-4685887710,CoCoCo_1099166,EMOLS-id_4746300,STOCK6S-14489,ZINC22_6758961	295.357	OFSLEEVXLBMOCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055540
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCOCC1	EMOLS-id_15304026,MCULE-9873845565,CoCoCo_1110917,ZINC22_16661422,PC-id_27266314	295.357	FFIDHKZKCCMWQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055541
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N1CCNCC1	STOCK6S-19767,MCULE-3507635657,EMOLS-id_4754695,ZINC22_9134302,PC-id_16424457	295.357	NNXNBQSLKQMJSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055542
Cc1oc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_318601797	295.357	GOKLTMMOTIHJGT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-055543
Cc1oc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319865822,MCULE-3313682922	295.357	MJKIYZCEMIOMNX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-055544
CC(C1CN(C1)C(=O)Nc1sc2c(n1)CCC2)C(=O)O	PC-id_116683085	295.357	PIMDXJWRYAXCHQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055545
CCOC(=O)C1CCc2c1nc(s2)NC1CNC(=O)C1	PC-id_106198164	295.357	UWGARLGMAHHXSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055546
CCOC(=O)C1CSCN1C(=O)c1cnc2n1CCC2	EMOLS-id_278791513	295.357	LOMFWZRXKNSZBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055547
CCOC(=O)C1CSCN1C(=O)c1cnn2c1CCC2	EMOLS-id_278791429	295.357	AUKUATFBZLGKJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055548
COCCN(c1sc2c(n1)C(CC2)C(=O)O)CCC#N	PC-id_104288751	295.357	BDEFPYPBLZCLKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055549
C(=O)(Nc1sc2CCCc2c1C#N)CC[C@H](N)C(O)O	EMOLS-id_327920475,MCULE-4951270425	295.357	PAPFSWWPGBKOFX-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-055550
n1c2CCCc2sc1CCNC(=O)CN1CCOC1=O	PC-id_91835153,EMOLS-id_55649209,ZINC22_244741951,MCULE-8039110134	295.357	NZNMLOOKTIKGQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055551
O=C(C1CC1C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110495712	295.357	ZDBFDBKCKJITHZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-055552
O=C(CCCN1CCOC1=O)Nc1nc2c(s1)CCC2	MCULE-4602524850,EMOLS-id_48745060,PC-id_47263553,ZINC22_47938540	295.357	KYLWUVBFKBBILH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055553
O=C(CN1CCCC1C(=O)O)Nc1sc2c(n1)CCC2	EMOLS-id_301941706,PC-id_119908559,MCULE-2592922263	295.357	GYSXROWDYFBGLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055554
O=C(CN1CCC[C@@H]1C(=O)O)Nc1nc2c(s1)CCC2	MCULE-2742838271,EMOLS-id_72971414,PC-id_119913859,ZINC22_238097595,MCULE-3334238801	295.357	GYSXROWDYFBGLU-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055555
O=C(C(Nc1nc2c(s1)CCC2C(=O)O)C)NC1CC1	PC-id_104403696	295.357	NSZKMROZQITXCK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055556
O=C(N1CCC(C1C(=O)O)C)Nc1sc2c(n1)CCC2	PC-id_102782147	295.357	FHWWPWIVDXETHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055557
O=C(N1C[C@H]([C@@H](C1)C)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_105581362	295.357	RGJUSOXGWKULJT-HTQZYQBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055558
O=C(NC1CC1)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104289043	295.357	BOKZMHCWZKZXJU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055559
O=C(Nc1sc2c(n1)CCC2)NCC1(CCC1)C(=O)O	PC-id_115446591	295.357	HPGOATXWCLCFHH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055560
O=C(Nc1sc2c(n1)CCC2)N[C@H]1CC[C@H](C1)C(=O)O	PC-id_106319486	295.357	BPJXBFMSSLSUPI-SFYZADRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055561
O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@H]1C[C@@H]1C1CC1	MCULE-3595134428,EMOLS-id_316830055,ZINC22_408024267	295.357	ZDBFDBKCKJITHZ-ZJUUUORDSA-N	00100010100000000001100010000000000000000000000000000000	25-01-055562
OC(=O)C1CCc2c1nc(s2)NC1CCC(=O)N(C1)C	PC-id_104288888	295.357	KNVWUXRLWMEJJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055563
OC(=O)C1CCc2c1nc(s2)NCCNC(=O)C1CC1	PC-id_116159150	295.357	WGEVJSNGZDWDBR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055564
OC(=O)C1CCc2c1nc(s2)NCC(=O)N1CCCC1	PC-id_104387751	295.357	ZKJPIJRXMSUOLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055565
s1c2c(CCC2)cc1C(=O)N1CC(OCC1)C(=NO)N	PC-id_79680884	295.357	UTKLZDLOPYDOAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055566
s1c2CCCc2cc1C(=O)NNC(=O)C(=O)NC(C)C	PC-id_9504109	295.357	OIJWLGRHJIAIIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055567
s1c2c(CCC2)c(c1NC(=O)C(C)C)C(=O)NC(=O)N	PC-id_49678364	295.357	RRNXVNPKTPCPLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055568
s1c2c(CCC2)c(c1NC(=O)CCC)C(=O)NC(=O)N	PC-id_49678380	295.357	UDOJAUXCIGGOTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055569
s1c2CCCc2nc1NC(=O)N1C(CCC1)CC(=O)O	PC-id_61510041	295.357	CMELVMUESGOPEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055570
s1c2CCCc2nc1NC(=O)N1CC(CC1)(C)C(=O)O	PC-id_63146923	295.357	OLUDBZSDVOGXNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055571
s1c2CCCc2nc1NC(=O)N1C(CCC1)(C)C(=O)O	PC-id_64382842	295.357	SAKILGRGEZGVOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055572
s1c2CCCc2nc1NC(=O)N1CC(CC1)CC(=O)O	PC-id_65978169	295.357	LHNFDURDTIHPPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055573
s1c2CCCc2nc1NC(=O)N1CC(C(C1)C(=O)O)C	PC-id_63721305	295.357	RGJUSOXGWKULJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055574
s1c2CCCc2nc1NC(=O)N1C(C(CC1)C(=O)O)C	PC-id_79382961	295.357	LEZZXTISZIUSLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055575
s1c2CCCc2nc1NC(=O)N1C(CCCC1)C(=O)O	PC-id_61509996	295.357	FVXGNCJJMSZIAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055576
s1c2CCCc2nc1NC(=O)N1CC(CCC1)C(=O)O	PC-id_61510370	295.357	FJUQTBZAKFKMNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055577
s1c2CCCc2nc1NC(=O)N1CCC(CC1)C(=O)O	PC-id_61510371	295.357	YWTOJHQFVFPRTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055578
s1c2CCCc2nc1NC(=O)N1C[C@@H](CCC1)C(=O)O	PC-id_81120411	295.357	FJUQTBZAKFKMNZ-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055579
s1c2CCCc2nc1NC(=O)N1C[C@H](CCC1)C(=O)O	PC-id_81126323	295.357	FJUQTBZAKFKMNZ-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055580
s1c2CCCc2nc1NC(=O)N(C1CC1)CCC(=O)O	PC-id_61510300	295.357	PTEYPDWNLWQBJP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055581
s1c2CCCc2nc1NC(=O)NC1(CCC1)CC(=O)O	PC-id_79851925	295.357	MICAAIJGWRDKLZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055582
s1c2CCCc2nc1NC(=O)NC1(CCCC1)C(=O)O	PC-id_61510128	295.357	NIIRCIJSZGKRAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055583
s1c2CCCc2nc1NC(=O)NC1C(CCC1)C(=O)O	PC-id_64817121	295.357	OYANMTVCJCWJBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055584
s1c2CCCc2nc1NC(=O)NC1CC(CC1)C(=O)O	PC-id_66032236	295.357	BPJXBFMSSLSUPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055585
s1c2CCCc2nc1NC(=O)NC(C1CC1)(C)C(=O)O	PC-id_61510129	295.357	QOHXRCNOELNCAJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055586
s1c2CCCc2nc1NC(=O)N(CC1CC1)CC(=O)O	PC-id_61510412	295.357	YCFJNJWQXNDHQP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055587
s1c2CCCc2nc1NC(=O)NC(C1CC1)CC(=O)O	PC-id_81995046	295.357	MOQVFQORUWSNBC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055588
S1Cc2c(onc2C1)NC(=O)C1CCN(CC1)C(=O)C	PC-id_49720065	295.357	BPOCWRVPYCLSCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055589
c1(sc2c(CCC2)n1)NC(=O)C(=Cc1ccccc1)C#N	EMOLS-id_334660565,MCULE-4837812795	295.359	TZJSPWQRZZVNJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055590
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccccn1	MCULE-1019712158	295.359	GMUPNFJTYFOTLU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055591
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1cccnc1	MCULE-2561829404	295.359	FSUBXVUBMYNUPV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055592
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccncc1	MCULE-4607744356	295.359	WACLEVJYBZWYOR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055593
O=C(c1cnnn1c1ccccc1)c1sc2c(c1)CCC2	PC-id_115806477	295.359	NTCARSJUUSDACJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055594
O=C(Nc1sc2CCCc2c1C#N)/C=C/c1ccccn1	EMOLS-id_328105905	295.359	GMUPNFJTYFOTLU-BQYQJAHWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055595
O=C(Nc1sc2CCCc2c1C#N)/C=C/c1cccnc1	EMOLS-id_328126388	295.359	FSUBXVUBMYNUPV-VOTSOKGWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055596
O=C(Nc1sc2CCCc2c1C#N)/C=C/c1ccncc1	EMOLS-id_328094154	295.359	WACLEVJYBZWYOR-SNAWJCMRSA-N	00000010100000101000000010000000000000000000000000000000	25-01-055597
s1c2CCCc2cc1C(=O)NN=Cc1ccc(cc1)C#N	PC-id_85015548	295.359	YCXJTAMBQQKXPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055598
c12CN(Cc1n(nc2)CCO)Cc1onc(CSC)n1	EMOLS-id_55693715,MCULE-4922695911,ZINC22_244734682,PC-id_91841556	295.361	NJYUSPJSLQZHEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055599
c12SCCn1cc(CNC(=O)CN1CCN(C)C1=O)n2	ZINC22_426589702,PC-id_121507906,MCULE-4378661699,EMOLS-id_177465791	295.361	CCYANWDEOAEXIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055600
Cc1cnn(c1S(=O)(=O)NCc1n[nH]c2c1CCC2)C	MCULE-4782778546,EMOLS-id_320133079	295.361	QJYIGLLJINNLRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055601
Cc1nn(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_319278498	295.361	IQMRKIJEZLAHQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055602
Cc1nn(c(c1)S(=O)(=O)NCc1nn2c(c1)CCC2)C	EMOLS-id_319544147	295.361	SQALVLFHVOQYTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055603
Cc1nn(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318906617	295.361	SGTDUNNDENYAJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055604
CCc1nn(c(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97705022	295.361	SJVQMOAGHGCKDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055605
CCc1nn(cc1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97761829	295.361	RYCYYMXIIAFNGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055606
CC(c1n[nH]c(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100477494	295.361	JFJBUFUHQNJEMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055607
CCCc1[nH]nc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705367	295.361	AJGZWPGZDDQDED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055608
CC(n1ccc(n1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100284022	295.361	VZZHWHNABJETBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055609
CC(n1cnc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_318017836	295.361	WNNPNHBILKWXFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055610
CCn1nc(c(c1C)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_316723955	295.361	SMTFOXUPMYLRSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055611
CC(n1ncc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_318014128	295.361	GLPSAIYHVFYZKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055612
CCn1ncc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319128919	295.361	CZUAHFVJLMBBHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055613
CCS(=O)(=O)N1Cc2c(C1)n(nc2Cn1cncc1)C	PC-id_97405325	295.361	PQIVKWULNZHFPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055614
Cn1c(C)ncc1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319170163	295.361	RDSSZDYJEGACEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055615
Cn1ncc(c1C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320004854,MCULE-6207612311	295.361	LWJVQOWOAHMKOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055616
Cn1nc(c(c1NS(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_97699988	295.361	IBWYBBWDNGPSOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055617
CN(Cc1nnc2n1CCC2)C(=O)CN1CCSC1=O	EMOLS-id_35706546,PC-id_53516413,MCULE-1491289250,ZINC22_65575865	295.361	UMOSVYNUVWQIAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055618
N#CCN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100203258	295.361	ZKUKYDCPPKHJCE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055619
O=C(CCN1CCSC1=O)NCc1nnc2n1CCC2	EMOLS-id_36262529,MCULE-7836953263,PC-id_53526586,ZINC22_42648738	295.361	KUHZKRRPCJJIIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055620
O=C(N1CC(=O)N(C1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99855071	295.361	UTWGQVCQBYBZTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055621
N#Cc1cccc(c1NCCc1cn2c(n1)SCC2)C#N	EMOLS-id_318464815,MCULE-7762368748	295.362	OIFDCJSYLMIWBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055622
CCOC(Cn1c2CC(C)(C)Cc2cc1C(=O)O)OCC	EMOLS-id_337730196	295.374	DVBLRYYEUANVKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055623
CCOC(=O)c1cc2c(n1CC(OC)OC)CC(C2)(C)C	PC-id_146047914	295.374	OCEHZOKIPFPTQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055624
CCC(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_143518973	295.376	XHLBEPAIZOHZTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055625
CCC(C(=O)C1Cn2c(C1)ccc2C(=O)c1ccccc1)C	PC-id_144775247	295.376	SZPUNFGYRRGESV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055626
CCOC(=O)c1cc2c([nH]1)C(=CCCc1ccccc1)CC2	PC-id_86638800,SCHEMBL1007319	295.376	PHZDWNCLXRZOGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055627
CCOC(=O)c1[nH]c2c(c1)CC/C/2=C/CCc1ccccc1	PC-id_66874742,SCHEMBL1007318	295.376	PHZDWNCLXRZOGR-GDNBJRDFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055628
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)C1CC1	SCHEMBL1005233,PC-id_59180158	295.376	ICLKKNVDHBKVQI-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-055629
O=C(C(C)(C)C)C1Cn2c(C1)ccc2C(=O)c1ccccc1	PC-id_118098460,SCHEMBL16744328	295.376	FYPGCHLMBFKIRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055630
CCC(c1nc2c([nH]1)COC2C)(NC(=O)OC(C)(C)C)C	PC-id_102970342	295.377	GRDUQLBAAOTROP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055631
CCCCCN(CCCOC)C(=O)c1cc2n(n1)CCO2	EMOLS-id_177185006,MCULE-8952232685,ZINC22_365650163	295.377	LQHXHVGGXPEDKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055632
OCC(c1nc2c([nH]1)CCC2CC)NC(=O)OC(C)(C)C	PC-id_102970610	295.377	RNSTVNKFFJQOJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055633
O=C(N(C(c1nc2c([nH]1)COC2C)(C)C)C)OC(C)(C)C	PC-id_102970387	295.377	CUXCFWXBKLCFLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055634
O=C(OC(C)(C)C)NC(c1nc2c([nH]1)COC2C)C(C)C	PC-id_102970357	295.377	HDVFQJURTDSITN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055635
O=C(OC(C)(C)C)N[C@H](c1nc2c([nH]1)COC2C)C(C)C	PC-id_102970360	295.377	HDVFQJURTDSITN-UMJHXOGRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055636
c1(C(=O)N2CCC(CC2)c2ccccc2)c2CCCc2[nH]n1	MCULE-1405295664,EMOLS-id_323256753	295.379	IQUFHMOIQGLGDJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-055637
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(c2)C2CC2)n1	MCULE-2607451379,EMOLS-id_331035405	295.379	VGICGGXYFOMOJO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055638
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2C2CC2)n1	MCULE-8500516863,EMOLS-id_331036172	295.379	LEBGDNYPZNXXJL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055639
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(c1)C1CC1	EMOLS-id_331021494,MCULE-3420221167	295.379	LWMQVIFCPBSLJD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055640
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1C1CC1	MCULE-5161669615,EMOLS-id_331022261	295.379	ZZSJYWMEMHFWRZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055641
C[C@@]1(c2ccccc2)CCN(C(=O)c2cc3n(n2)CCC3)C1	ZINC22_336202837	295.379	XLLPUXXFOQZBIR-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055642
C[C@]1(c2ccccc2)CCN(C(=O)c2cc3n(n2)CCC3)C1	ZINC22_336202838	295.379	XLLPUXXFOQZBIR-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055643
Cc1ccc(C2(NC(=O)[C@@H]3CCc4nccn34)CCC2)cc1	ZINC22_2325791548	295.379	NOELPEFOGXJKQE-HNNXBMFYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055644
Cc1ccc(C2(NC(=O)[C@H]3CCc4nccn34)CCC2)cc1	ZINC22_2325791549	295.379	NOELPEFOGXJKQE-OAHLLOKOSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055645
Cc1cccc(c1)C1(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318562469	295.379	GWDGQHINVPCGLI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055646
Cc1cccc(c1)C1(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320089597,MCULE-9608130851	295.379	ZUKWOBXFMJLJRQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055647
Cc1cccc(CC2CN(C(=O)c3n[nH]c4c3CCC4)C2)c1	EMOLS-id_48253675,MCULE-4291238993,ZINC22_85458092,PC-id_97039154	295.379	XWQVNEMEEVFONB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-055648
CCC1(CN(C1)C(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_318152159	295.379	VAPQGJWELQSVPI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055649
CCCOc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1	EMOLS-id_331001278,MCULE-1742446933	295.379	FHGQSGXZAOVSAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055650
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1	EMOLS-id_331001534,MCULE-7821557489	295.379	XRXZUTYIMFBVPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055651
CCCOc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1	EMOLS-id_331020532,MCULE-6016792198	295.379	IEKHVBOJGDTTOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055652
CC(C)Oc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1	EMOLS-id_331020788,MCULE-4117814979	295.379	UXHPMKYHWJDLTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055653
C[C@H](c1ccccc1)N(C(=O)c1cc2n(n1)CCC2)C1CC1	ZINC22_294675224	295.379	JJKBJKXBBXLRLN-CYBMUJFWSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055654
C[C@@H](c1ccccc1)N(C(=O)c1cc2n(n1)CCC2)C1CC1	ZINC22_294675238	295.379	JJKBJKXBBXLRLN-ZDUSSCGKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055655
CC(N(C(=O)c1n[nH]c2c1CCC2)C1CC1)c1ccccc1	EMOLS-id_318590406	295.379	BHQCELYIUCILKG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055656
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1C#N	MCULE-3587294630,EMOLS-id_331005880	295.379	YYFGRIFUJFJLAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055657
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C#N	MCULE-7147169398,EMOLS-id_331004598	295.379	KVDDEUWACRLYGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055658
O=C(c1ccccc1C1(C)CC1)NCc1cnc2n1CCC2	EMOLS-id_319665980	295.379	SZFFIMHTXPNUIT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055680
CCOc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1C	MCULE-4556466941,EMOLS-id_330997951	295.379	SVDKNVGNWWUFCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055659
CCOc1ccc(Cn2nc3CCC(C)c3c2C#N)c(C)c1	MCULE-7042080933,EMOLS-id_330999998	295.379	KFJWEOHYARIHFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055660
CCOc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1C	EMOLS-id_331021300,MCULE-4771702656	295.379	AHTKSKXSZJTDRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055661
CCOc1ccc(Cn2nc(C#N)c3C(C)CCc23)c(C)c1	EMOLS-id_331019252,MCULE-4950805583	295.379	ILPBMLAMRQRSJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055662
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003062,MCULE-9107973104	295.379	QEGJWOVPZOLJOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055663
COc1c(C)cc(Cn2nc3CCC(C)c3c2C#N)cc1C	EMOLS-id_331001790,MCULE-2382674890	295.379	XNMCHJUWJYYGAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055664
COc1cc(C)c(Cn2nc3CCC(C)c3c2C#N)cc1C	MCULE-1699749923,EMOLS-id_331001022	295.379	CWBHZXHVXOMFSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055665
COc1ccc(C(C)n2nc3CCC(C)c3c2C#N)c(C)c1	MCULE-9497071220,EMOLS-id_331003318	295.379	AYJZIBOFVVEVGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055666
COc1cc(C)c(Cn2nc(C#N)c3C(C)CCc23)cc1C	EMOLS-id_331020276,MCULE-7056618948	295.379	LSCZDDLBSACNFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055667
COc1c(C)cc(Cn2nc(C#N)c3C(C)CCc23)cc1C	MCULE-8180271998,EMOLS-id_331021044	295.379	MPJXEMCJIRTTNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055668
COc1ccc(Cn2nc3CCC(C)c3c2C#N)c(C)c1C	MCULE-4973470080,EMOLS-id_331000766	295.379	OZINCJOUPPOHGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055669
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)c(C)c1C	EMOLS-id_331020020,MCULE-8928861576	295.379	DLRDJUYLEMNOMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055670
Oc1ccc(cc1)C1=CCN(CC1)Cc1cnc2n1CCC2	EMOLS-id_318632381	295.379	IBFNLNBLNVOXAO-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-055671
O=C(C1(CC1)c1ccccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_318756697	295.379	QJDAOMSIHYCCJK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055672
O=C(C1(CC1)c1ccccc1C)NCc1cnc2n1CCC2	EMOLS-id_318901387	295.379	CKGHKTADZHMHQL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055673
O=C(C1(CC1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_320013114,MCULE-4949396149	295.379	QCEDQJCRZCTYLY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055674
O=C(C1C(C1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318984928	295.379	UUIUKWUMHCWQIE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055675
O=C(C1(CC1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319735685	295.379	RNEZFGYCFFIUPJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055676
O=C(C1(CCC1)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318163799	295.379	LXPAEHNNDZYFDT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055677
O=C(C1(CCC1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319556988	295.379	IPSNAOGDTZKQES-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055678
O=C(C1(CCC1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319699751	295.379	FQXULZATUILDGX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055679
O=C(c1ccccc1C1(C)CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319035923	295.379	HEVXXASVHBJTME-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055681
O=C([C@@]1(C)C[C@@H]1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318586749	295.379	COKYNMZRYLQGBF-RHLHEIJOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055682
O=C([C@@]1(C)C[C@@H]1c1ccccc1)Nc1n(C)nc2c1CCC2	EMOLS-id_318713967	295.379	SHPAMESHGWXQEO-KDOFPFPSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055683
O=C(c1cnc2n1CCC2)N1CCC(c2ccccc2)CC1	ZINC22_665879152	295.379	AKBARFSJSJAGND-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-055684
O=C(c1cnc2n1CCC2)NC1(CC1(C)C)c1ccccc1	EMOLS-id_318658429	295.379	JPEWQFSWYWYPQP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055685
O=C(c1cnc2n1CCC2)NC1CC(C1)(C)c1ccccc1	EMOLS-id_318060627	295.379	LEYPVNNFDWVPNN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055686
O=C(c1cnc2n1CCC2)NC1CCCC1c1ccccc1	EMOLS-id_318423806	295.379	FWWZOZGJDFTZQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055687
O=C(c1cnc2n1CCC2)NC1(CCCC1)c1ccccc1	EMOLS-id_318426271	295.379	KRNUJPNAAIXVJF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055688
O=C(c1cnc2n1CCC2)N(c1ccccc1)CC1CCC1	EMOLS-id_318231656	295.379	YTQQZECRONZYSE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-055689
O=C(c1cnc2n1CCC2)N[C@@H]1CCC[C@@H]1c1ccccc1	EMOLS-id_318738317	295.379	FWWZOZGJDFTZQS-HUUCEWRRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055690
O=C(c1cnn2c1CCC2)N1CCC(c2ccccc2)CC1	ZINC22_336238612	295.379	CJYLCWPPOIGNKI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-055691
O=C(c1cnn2c1CCC2)NC1(CC1(C)C)c1ccccc1	EMOLS-id_318728071	295.379	ASZGYZNTVXVIJX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055692
O=C(c1cnn2c1CCC2)NC1CC(C1)(C)c1ccccc1	EMOLS-id_318271561	295.379	VDWUFKLACBMPCC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055693
O=C(c1cnn2c1CCC2)NC1CCCC1c1ccccc1	EMOLS-id_318421378	295.379	OGYBPNTYQVMSMW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055694
O=C(c1cnn2c1CCC2)NC1(CCCC1)c1ccccc1	EMOLS-id_318648841	295.379	XSGPXHXJDBZUED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055695
O=C(c1cnn2c1CCC2)N[C@@H]1CCC[C@@H]1c1ccccc1	EMOLS-id_318421122	295.379	OGYBPNTYQVMSMW-GDBMZVCRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055696
O=C(c1nn2c(c1)CCC2)N1CCC(C1)(C)c1ccccc1	MCULE-2148880056,EMOLS-id_316928860	295.379	XLLPUXXFOQZBIR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055697
O=C(c1nn2c(c1)CCC2)NC1(CC1(C)C)c1ccccc1	EMOLS-id_318500320	295.379	VPKIWINIOLWCLD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055698
O=C(c1nn2c(c1)CCC2)NC1CC(C1)(C)c1ccccc1	EMOLS-id_318277890	295.379	LWWYEKIIWLFDDP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055699
O=C(c1nn2c(c1)CCC2)NC1(CCCC1)c1ccccc1	EMOLS-id_318461688	295.379	IEQCYFSUHVRCGU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055700
O=C(c1nn2c(c1)CCC2)NC1CCCC1c1ccccc1	EMOLS-id_318597222	295.379	YJPNCZQURYTCMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055701
O=C(c1nn2c(c1)CCC2)N[C@@H]1CCC[C@@H]1c1ccccc1	EMOLS-id_318596966	295.379	YJPNCZQURYTCMR-HZPDHXFCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055702
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)Cc1ccccc1	EMOLS-id_318677306	295.379	ABVLFHNIAUKWGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055703
O=C(c1n[nH]c2c1CCC2)NC1(CCCC1)c1ccccc1	EMOLS-id_99128973	295.379	AWMFYWAGZMNZCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055704
O=C(c1n[nH]c2c1CCC2)N(c1ccccc1)CC1CCC1	EMOLS-id_318261762	295.379	JEMFXTITJSHRIR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-055705
O=C(c1n[nH]c2c1CCC2)NCc1ccc(cc1)C1CCC1	EMOLS-id_100610402	295.379	XILFFQWBYIVZGZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055706
O=C(c1n[nH]c2c1CCC2)NC(c1ccccc1C)C1CC1	EMOLS-id_98998773	295.379	BCFSHOOQPJCAMU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055707
O=C(Cc1cccc(c1)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_318997943	295.379	HXYCRNHMWQOBPV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055708
O=C(C(c1ccccc1)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319418880	295.379	ZANHNMFSCCQIQF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055709
O=C([C@@H]1C[C@H]1c1ccccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_318430372	295.379	WKRPBBBYBZUOGK-NTTQHLPKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055710
O=C([C@@H]1C[C@H]1c1cccc(c1)C)NC1CC(n2c1ncc2)C	EMOLS-id_318663269	295.379	ICMGWHRRBOKYQW-NTTQHLPKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055711
O=C([C@@H]1C[C@H]1c1cccc(c1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318534216	295.379	CDUYFFRZBLCTIQ-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055712
O=C([C@@H]1C[C@H]1c1ccccc1C)Nc1n(C)nc2c1CCC2	EMOLS-id_318591031	295.379	RRUVCSQJFCRGQJ-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055713
O=C([C@@H]1C[C@H]1c1cccc(c1)C)NCc1cnc2n1CCC2	EMOLS-id_318819627	295.379	QSYUECQFGMJVLJ-JKSUJKDBSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055714
O=C([C@@H]1C[C@H]1c1ccccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318816559	295.379	XPQDZIJTFMBRHE-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055715
O=C([C@@H]1C[C@H]1c1cccc(c1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319158023	295.379	NSSOFRRCMWQYHJ-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055716
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(C2CCCC2)cc1	ZINC22_2325786854	295.379	KZNRNEHXAAIKNC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055717
O=C(N(C(c1ccccc1)C)C1CC1)c1nn2c(c1)CCC2	MCULE-1001767865,EMOLS-id_316908890	295.379	JJKBJKXBBXLRLN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055718
Cc1nccc(c1)S(=O)(=O)N1Cc2c(C1)nc(s2)C	EMOLS-id_318921487	295.381	AWNOUZRRLNRMNZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055719
OCC(CC(C)(C)C)NC(=O)NCc1nnc2n1CCC2	PC-id_112371087	295.381	KOXNCGSTVVHTGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055720
O=C(NC(c1n2CCCc2nn1)C(C)C)NC(COC)C	PC-id_60277036	295.381	CQJQMPRWKSYAIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055721
OC(=O)C1CCc2c1nc(s2)NCc1cnc(s1)C	PC-id_104288248	295.381	UIKFQPXIUCMRAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055722
OC(=O)C1CCc2c1nc(s2)N(Cc1cscn1)C	PC-id_113395724	295.381	MAPSTDPJSKEXIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055723
OC(=O)C1CCc2c1nc(s2)NCc1csc(n1)C	PC-id_113395741	295.381	DRNCJVBABGQXGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055724
OC(=O)C1CCc2c1nc(s2)NCc1ncc(s1)C	PC-id_105923056	295.381	PNKVNQRSTWTPBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055725
OC(=O)C1CCc2c1nc(s2)NC(c1nccs1)C	PC-id_113395800	295.381	CSZXPEJGFGZFRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055726
OC(=O)C1CCc2c1nc(s2)NCc1scc(n1)C	PC-id_104288300	295.381	VYUNVXWYFCSRTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055727
OC(=O)C1CCc2c1nc(s2)NCc1scnc1C	PC-id_104288769	295.381	BLBHIYBQDDPIJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055728
OC(=O)C1CCc2c1nc(s2)NCCc1cscn1	PC-id_104288742	295.381	NREBQYYLLBILRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055729
OC(=O)C1CCc2c1nc(s2)NCCc1nccs1	PC-id_104288666	295.381	FHYIQGABSXTFLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055730
O=C(OC(C)(C)C)NCCNC(c1nnc2n1CCC2)C	PC-id_115607089	295.381	UFMVKNVEQUSGRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055731
s1c2c(CCC2)c(c1NC(=O)N1CC[NH2+]CC1)C(=O)N	PC-id_25823676	295.381	ITZFDDLIVGGUID-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-055732
s1c2CCCc2nc1NS(=O)(=O)c1ccc(N)cc1	PC-id_61508405	295.381	AADCZRUGWXRFBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055733
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)ccc1	PC-id_61508365	295.381	PVQFDDNXHHZHIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055734
s1c2CCCc2nc1NS(=O)(=O)c1c(N)cccc1	PC-id_61508439	295.381	VCHALGNQMYLSKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055735
S(=O)(=O)(N1Cc2sc(nc2C1)N)c1ccc(cc1)C	PC-id_82194210	295.381	CHOQXBGUIAOTIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055736
S(=O)(=O)(Nc1sc2c(n1)CNC2)c1ccc(cc1)C	PC-id_82194099	295.381	KXJGWSNFXQEELB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055737
n12nc(nc1C(=C(C2=Nc1c(cc(N(C)C)cc1)C)C)C)C	PC-id_21304285	295.382	BIFRLNUROKTBQQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-055738
c12CN(Cc1sc(N)n2)C(C)C(=O)Nc1sccn1	MCULE-7570962613,PC-id_82194300	295.384	XMYSOHVKEJHYKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055739
c1(csc(SC)n1)C(=O)NCc1nnc2CCCn12	MCULE-2027283584,EMOLS-id_55699805,PC-id_91793717,ZINC22_223494913	295.384	ALJKEFVBCTUVRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055740
CNc1sc(c(n1)N)C(=O)Nc1sc2c(n1)CCC2	PC-id_116664024	295.384	BEAAXTLMDWVSBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055741
s1c2CCCc2nc1NC(=O)c1sc(NCC)nn1	PC-id_80617031	295.384	IURPAPHALBKKKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055742
s1c2CN(Cc2nc1N)CC(=O)Nc1scc(n1)C	PC-id_82194277	295.384	KTTGUJUJSNEQFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055743
c12CCCc1c(C(=O)OCC)c(NC(=O)C(C)CC)s2	EMOLS-id_25516410,PC-id_46094776,MCULE-8147686989	295.397	OQRDPIGYZXSJBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055744
c12CCCc1c(C(=O)OCC)c(NC(=O)CCCC)s2	MCULE-5929653246,PC-id_5154768,EMOLS-id_5345315	295.397	XGAMWMWJOMAGGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055745
c12CCCc1c(C(=O)OCC)c(NC(=O)CC(C)C)s2	PC-id_3481533,MCULE-3050720686,EMOLS-id_5405214	295.397	LNLUIEZHTKHRIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055746
c1(cc2c(CCC2)s1)C(=O)N[C@@H]1CCC[C@@H](OC)[C@@H]1O	EMOLS-id_44409362,MCULE-7262147669,PC-id_110125514,ZINC22_257311581,BDE-33844285	295.397	UKEDGSOKHWRVGO-JTNHKYCSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055747
c1(NC(=O)C(CC)CC)sc2c(CCC2)c1C(=O)OC	PC-id_4620440,ZINC22_4614293,TIMTEC117954,MCULE-7511298464,SPECS-id_AK-968/15252055,EMOLS-id_3218733,CoCoCo_2898489	295.397	DDHLOWORQNLYAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055748
c1(NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	TIMTEC523297,MCULE-6577377602,EMOLS-id_663071,CoCoCo_657926,PC-id_2787601,ZINC22_3900177	295.397	WHJXCLQXXPDOFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055749
CC1CN(CC(O1)C)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956556	295.397	DJOVOMAAJDYYPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055750
CC(CC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2)C	PC-id_80109815,MCULE-5339907827,EMOLS-id_51967958	295.397	JPZCPAJMMRHMMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055751
CC(C)[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)CCC2	PC-id_7291833,CoCoCo_2840775,ZINC22_4581405	295.397	OKSLBUKCPCZAMK-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055752
CC(C)[C@H](C)NC(=O)COC(=O)c1cc2c(s1)CCC2	PC-id_7291834,ZINC22_4581406,CoCoCo_2840776	295.397	OKSLBUKCPCZAMK-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-055753
CC(C)(C)OC(=O)NC(C)(C=O)c1cc2CCCc2s1	MCULE-4878373201,EMOLS-id_313975901	295.397	DEDCIOCBWHOKQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055754
CCC(C(=O)O)(CNC(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_53575758,MCULE-9402173995,PC-id_115429626	295.397	QJHFXHOUFCCVPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055755
CC(CN(C(=O)c1sc2c(c1)CCC2)CCC(=O)O)C	EMOLS-id_51468468,MCULE-9889924221,PC-id_121853354	295.397	QRISXOODOBTXOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055756
CCC(NC(=O)c1sc2c(c1)CCC2)(CC(=O)O)CC	MCULE-7605904344,PC-id_120216421,EMOLS-id_57283000	295.397	XKQSDHXCHQQDNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055757
CCOC(=O)C1CCc2c1nc(s2)C(C1CC1)OCC	PC-id_116705340	295.397	MLEUHAIUIRENOM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055758
CCOC(=O)C1CCc2c1nc(s2)CC1CCCCO1	PC-id_104287224	295.397	LMSUZQBNLGHXIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055759
CCOC(=O)c1c(NC(=O)[C@H](CC)C)sc2c1CCC2	PC-id_92756715	295.397	OQRDPIGYZXSJBE-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-055760
CCOC(=O)c1c(NC(=O)[C@@H](CC)C)sc2c1CCC2	PC-id_92756716	295.397	OQRDPIGYZXSJBE-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055761
CN(C(C=O)c1cc2CCCc2s1)C(=O)OC(C)(C)C	MCULE-7453501315,EMOLS-id_313978460	295.397	BWTVEMAZVQLALB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055762
COc1c(sc2c1CCC2)C(=O)NC1CCC(CC1)O	PC-id_100815257	295.397	ASVWPIKAYMKYMV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055763
COC(c1nc2c(s1)CCC2C(=O)O)C1CCCCC1	PC-id_116744624	295.397	JEQLSWRILMVYEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055764
COC(=O)c1c(NC(=O)CC(C)(C)C)sc2c1CCC2	SCHEMBL14513178,PC-id_58869343	295.397	PWQNXLKSKWWASZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055765
COC(=O)[C@@H](CC(C)C)NC(=O)c1cc2c(s1)CCC2	PC-id_37276147,ZINC22_29982694	295.397	NTNBYYGTCCUBSE-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055766
COC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(s1)CCC2	PC-id_37276149,ZINC22_29982697	295.397	NTNBYYGTCCUBSE-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-055767
COC(=O)C(NC(=O)c1sc2c(c1)CCC2)CC(C)C	MCULE-7827731122,EMOLS-id_30706300,PC-id_43406049	295.397	NTNBYYGTCCUBSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055768
OCC1CN(CC(O1)(C)C)C(=O)c1sc2c(c1)CCC2	PC-id_114778411	295.397	XXZJMRIBYGMYMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055769
OC[C@@H]1CCCN([C@@H]1CO)C(=O)c1sc2c(c1)CCC2	EMOLS-id_319896779,MCULE-8390037419	295.397	RTWUVYDANVLSBK-NWDGAFQWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055770
OC(CNC(=O)c1sc2c(c1)CCC2)COCC1CC1	PC-id_112302654	295.397	VKCSKRACGMAVHV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-055771
O=C(N(CC1(O)CCOCC1)C)c1sc2c(c1)CCC2	PC-id_114951362	295.397	PRNURPSXHNYKMM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055772
O=C(NC(C(C)C)C)COC(=O)c1sc2c(c1)CCC2	PC-id_16340435,EMOLS-id_3630222,MCULE-9100126220	295.397	OKSLBUKCPCZAMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055773
OC(=O)CC(C(C)C)(NC(=O)c1sc2c(c1)CCC2)C	PC-id_121882906,MCULE-1812936607,EMOLS-id_72477920	295.397	USBUAFYGCPRGTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055774
s1c2c(CCC2)cc1CNC(=O)CC(CC(=O)O)(C)C	PC-id_62933564	295.397	KGBYPUOVGKJPBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055775
s1c2c(CCC2)cc1C(=O)N1CCC(OCCO)CC1	PC-id_81908537	295.397	OPOZUUZURCQJAQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055776
s1c2CCCc2cc1C(=O)NCCCCCCC(=O)O	PC-id_24707172	295.397	VPKIYQCSCXCILV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055777
s1c2c(CCC2)cc1C(=O)N(C(C)C)CCCC(=O)O	PC-id_60825545	295.397	RQBVJGAQVPFUIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055778
s1c2c(CCC2)cc1C(=O)N(C(C)(C)C)CCC(=O)O	PC-id_60827465	295.397	MHLQFBZQLOUULO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055779
s1c2c(CCC2)cc1C(=O)NC(C(C)(C)C)CC(=O)O	PC-id_81994482	295.397	FADDMRAJDQMYQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055780
s1c2CCCc2cc1C(=O)NCCCCCC(=O)OC	PC-id_43406069	295.397	UIIUQSALEDEJFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055781
s1c2c(CCC2)cc1C(=O)NC(CCC)(C)C(=O)OC	PC-id_43431420	295.397	XKEAAPVMAXGBNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055782
s1c2CCCc2cc1C(=O)NCCC(CCC(=O)O)C	PC-id_64366326	295.397	JHNAFZKETAJHHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055783
s1c2CCCc2cc1C(=O)N(CCC)CC(=O)OCC	PC-id_61007682	295.397	NTSUUFPZFWZAFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055784
s1c2c(CCC2)cc1C(=O)N(C(C)C)CC(=O)OCC	PC-id_61022873	295.397	YUQRXCHZUHTTGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055785
s1c2c(CCC2)cc1C(=O)NC(C(C)(C)C(=O)O)(C)C	PC-id_65261881	295.397	ZSNBILGIQOVYBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055786
s1c2CCCc2cc1C(=O)N[C@@H](C(=O)OC(C)(C)C)C	PC-id_81003457	295.397	KVQMJCQIZDRSCC-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055787
s1c2CCCc2cc1C(=O)N[C@H](C(=O)OC(C)(C)C)C	PC-id_81746274	295.397	KVQMJCQIZDRSCC-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-055788
s1c2CCCc2cc1C(=O)OCC(=O)NCCC(C)C	PC-id_7238788	295.397	LKGSGERWJGYZRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055789
s1c2CCCc2cc1C(=O)OCC(=O)NC(CC)CC	PC-id_7623691	295.397	FJWMROFECQZPLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055790
s1c2CCCc2cc1C(=O)OC(C(=O)NC(C)(C)C)C	PC-id_78674816	295.397	CWPBLZFORUMDND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055791
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NC(C)(C)C)C	PC-id_8359103	295.397	CWPBLZFORUMDND-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-055792
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NC(C)(C)C)C	PC-id_8359105	295.397	CWPBLZFORUMDND-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055793
s1c2c(CCC2)c(c1NC(=O)CCCCCC)C(=O)O	PC-id_43172359	295.397	IAVYXXCJRGEUHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055794
s1c2c(CCC2)c(c1NC(=O)CCCCC)C(=O)OC	PC-id_4109637	295.397	HXGNZJMKOKILQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055795
s1c2CCCc2cc1C(=O)C(c1cc(c(cc1)C)C)C#N	PC-id_62904731	295.399	UKINCMQHQNVFQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055796
CC1(C)CCc2sc(NC(=O)NC3CCOCC3)nc12	EMOLS-id_102000135,ZINC22_333541333	295.4	NXBWOXQHYYQELO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055797
CC1CC(C(O1)C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_97742238	295.4	HFIZFNIIRVRQMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055798
CC1(C)CN(C1C1CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99555614	295.4	UEUWZJZCPLVKSS-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-055799
CC1OCCC(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99819142	295.4	NJUWLUKWVVNNFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055800
CC1OCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_303495270	295.4	ZDRBATQDJCTQJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055801
CCCCNCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4850362,EMOLS-id_48956827,MCULE-3909921014,ZINC22_6510557,CoCoCo_3686426	295.4	ACRQOCFVBPVKCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055802
CC(CCNC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	CoCoCo_6463155,PC-id_35572150	295.4	VOWJVVHQYFFAGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055803
CC[C@H](C)NCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3686069,PC-id_7858514,ZINC22_6048335	295.4	SIJDIPHWRQHCEW-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055804
CC[C@@H](C)NCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_7858512,ZINC22_6048333,CoCoCo_3686070	295.4	SIJDIPHWRQHCEW-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055805
CCC(NCC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_5035470,EMOLS-id_3125303,CHEMBL1306709,MCULE-3678246950	295.4	SIJDIPHWRQHCEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055806
CCCNC(=O)c1cc2c(s1)CCN2C(=O)CN(C)C	CHEMBL3553309,PC-id_97407176	295.4	USVKCBCCFREDLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055807
C[C@H]1COCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882649	295.4	AMEOGOALONKBTJ-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-055808
C[C@@H]1COCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102884979	295.4	AMEOGOALONKBTJ-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055809
C[C@H]1OCC[C@H]1NC(=O)Nc1nc2c(s1)CCC2(C)C	EMOLS-id_102010698,ZINC22_333126996,MCULE-4859274148	295.4	AIYRZJNFSOOXJZ-RKDXNWHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055810
C[C@H]1OCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882640	295.4	ZDRBATQDJCTQJV-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055811
CCN1CCCC1CNc1nc2c(s1)CCC2C(=O)O	PC-id_104287637	295.4	KHIVSZPQEBTYQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055812
CCN1CCC(C1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288026	295.4	SVYOOBMXWMJHIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055813
CCN1CCCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288209	295.4	GSZOQMGDJLTGKH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055814
CCN1CCOCC1CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318912404	295.4	OYLSIECDYOHEDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055815
CCN(C1CC1)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_105971295	295.4	CYIJLAOSVSRXAB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055816
CC(Nc1nc2c(s1)CCC2C(=O)O)CN1CCCC1	PC-id_104288385	295.4	UVADNCQNYMVXSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055817
CC(NC(=O)c1sc2c(c1)N(CC2)C(=O)CN(C)C)C	PC-id_97524453	295.4	JJPXBTQNZBSXEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055818
CC(N(S(=O)(=O)c1cnc2n1CCC2)C1CC1)C1CC1	EMOLS-id_100182264	295.4	YDBXKEAARHLOMW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055819
CCOC1CC(C1)N(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318307528	295.4	GVPJHOUOHCAMLJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055820
CCOC(=O)C1CCc2c1nc(s2)NC1CCN(C1)C	PC-id_104288323	295.4	NKKMVJAATNCMAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055821
CCOC(=O)C1CCc2c1nc(s2)NN1CCCCC1	PC-id_104289213	295.4	HAPPSMZXGBPFHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055822
C=CSC(=C)c1sc(c2c1C(=O)NC2=O)C(=C)S	PC-id_144980690	295.4	BBDYNLZNDUOVTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055823
CN1CCC(C1)CN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288712	295.4	ZLIMYFBDJSJKJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055824
CN1CCCC1CN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104289064	295.4	HGLXCDXVUNQBBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055825
CN1CCCC(C1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288202	295.4	PPELYSDDWWADIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055826
CN1CCCCC1CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288217	295.4	YHBOWZZTGJINKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055827
CN1CCC(CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288355	295.4	VOQAXKHQRWJLNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055828
CN1CCC(CC1C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104289157	295.4	NLJLMQPGYZGASL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055829
CN1CCC(C(C1)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_114506345	295.4	ORGBCRPSODVZKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055830
CN1CCC(CC1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104287710	295.4	PEAVCQBFSWSUHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055831
CN1CCCC(C1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288578	295.4	PCZHISVAQFYMIG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055832
CN1CCC(CC1)OCC(=O)Nc1sc2c(n1)CCC2	MCULE-9715614297,EMOLS-id_320080018	295.4	GCJMMPPUBTZGBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055833
CN1CCN(C(C1)Cc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287311	295.4	VYBLUDOJJRKPNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055834
CN1CCOC(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102162412	295.4	AYKNMEYNKWLDMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055835
CN1CCOCC1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102164143	295.4	KDJQJGIWJNGANP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055836
CN(S(=O)(=O)c1cnc2n1CCC2)C(C1CC1)C1CC1	EMOLS-id_100190601	295.4	MLXJHAAYIZGEKJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055837
COCC1(CCNCC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_108121419	295.4	ODPTYOBJRPSDFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055838
COCCN1CCN(Cc2nc3c(s2)CCC3)CC1=O	MCULE-8430879957,EMOLS-id_49304279,ZINC22_97051992,PC-id_75500110	295.4	JOOIFIKYEOHISE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055839
OC1CCC(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_100052103	295.4	HKSRFJIAPMQTBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055840
OC1CCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882667	295.4	HEHJKRMLPPAOFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055841
OC1CC(N(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102882637	295.4	RZDZRXHFKYBKAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055842
OC1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102882670	295.4	MRLXKHPWUJDKOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055843
OCC1(CCCC1)NCC(=O)Nc1sc2c(n1)CCC2	PC-id_112386239	295.4	HPIGIWLAFNGSGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055844
OCC1CCCCN1CC(=O)Nc1sc2c(n1)CCC2	PC-id_111434298	295.4	USZKRXOMTPKAGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055845
OCC1CCCN(C1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111750087	295.4	RODQVEKKRUWQMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055846
OCC1CCN(CC1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_110899414	295.4	BYZIMFYDIQXGBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055847
O=C(C1CCOCCC1)NCCc1nc2n(c1)CCS2	EMOLS-id_100000711	295.4	KWKVRDPTXQVLLA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055848
O=C(CC1(O)CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99893891	295.4	GMVSMHDAENMYTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055849
O[C@H]1CCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102887545	295.4	HEHJKRMLPPAOFH-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-055850
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(C)COC1	EMOLS-id_102002121	295.4	HSTBJAFTRCUGJG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055851
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(C1CC1)O	EMOLS-id_102001962	295.4	UIRDCDUUUULWRB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055852
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC[C@H]1CCCO1	EMOLS-id_102010761	295.4	UWIFFXLRKBTWPT-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055853
O=C(Nc1sc2c(n1)C(CC2)(C)C)N[C@@H]1CCCOC1	EMOLS-id_102009114	295.4	AAGKVRCUCVYDEA-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055854
O=C(Nc1sc2c(n1)CCC2)CN1CCC(C1)C(O)C	PC-id_110020168	295.4	HHDRYJWETZWTQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055855
O=C(Nc1sc2c(n1)CCC2)CN1CCC(C(C1)O)C	PC-id_109950887	295.4	MYWTXKVLTUVOHZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055856
O=C(Nc1sc2c(n1)CCC2)CN1CCOC(C1)(C)C	PC-id_96327674	295.4	NTRKGDDMYZMGPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055857
OC(=O)C1CCc2c1nc(s2)NCC1(CCC1)N(C)C	PC-id_105420734	295.4	HKNOORHWUHBKOB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055858
OC(=O)C1CCc2c1nc(s2)NCCCN1CCCC1	PC-id_104288675	295.4	GPTLJSCGZKTHMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055859
OC(=O)C1CCc2c1nc(s2)N(CCN1CCCC1)C	PC-id_104288638	295.4	WCOVVGRGJMZHSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055860
OC(=O)C1CCc2c1nc(s2)NCC(N1CCCC1)C	PC-id_104289149	295.4	WFUPSSOPOHGKOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055861
OC(=O)C1CCc2c1nc(s2)NCCN1CCCCC1	PC-id_104288200	295.4	HWSYZLHOHMRIOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055862
OC(=O)C1CCc2c1nc(s2)NCC(N(C1CC1)C)C	PC-id_105971330	295.4	VJVVWEADPXNAFR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-055863
OC(=O)C1CCc2c1nc(s2)NN1C(C)CCCC1C	PC-id_104289214	295.4	QXSDLJMBDZCIOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055864
O=S(=O)(C1C2C1CCCC2)NCc1nn2c(c1)CCC2	EMOLS-id_318914017	295.4	GPHXMTSKBOLPOG-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-055865
O=S(=O)(C1C2C1CCCC2)NCc1n[nH]c2c1CCC2	EMOLS-id_319308867	295.4	ZJZXWSYWGNOCLW-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-055866
O=S(=O)(C1CC2C1CCC2)NCc1n[nH]c2c1CCC2	EMOLS-id_319139387	295.4	UUJAQKPKRFOICD-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-055867
O=S(=O)(c1cnc2n1CCC2)N1CCCC1C1CCC1	EMOLS-id_100227274	295.4	XOGISCCYTSOXFU-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-055868
O=S(=O)(c1cnc2n1CCC2)N(C1CCC1)C1CCC1	ZINC22_330238282,EMOLS-id_100588153,MCULE-8650570982	295.4	ZTLNJFBREGLYLF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055869
O=S(=O)(c1cnc2n1CCC2)NC(C1CC1)C1CCC1	EMOLS-id_101783146	295.4	SEAXODVJBZYMLE-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-055870
O=S(=O)(c1cnc2n1CCC2)NCC1(CCC1)C1CC1	EMOLS-id_100243006	295.4	OPTSVWATQKBZMP-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-055871
O=S(=O)(c1cnc2n1CCC2)NC[C@@H]1C[C@H]1C1CCC1	EMOLS-id_102247584	295.4	QKGOJLKYMBUTQH-RYUDHWBXSA-N	00101010100000000001100010000000000000000000000000000000	25-01-055872
s1c2c(CCC2)cc1CNC(C)C(=O)NC(=O)NCC	PC-id_61206871	295.4	WIJYDSPWYWPMOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055873
s1c2c(CCC2)cc1C(=O)NC(CC)(CC)C(=NO)N	PC-id_61133304	295.4	DPNLHKZRHPFUNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055874
s1c2c(CCC2)cc1C(=O)N(C(C)C)CC/C(=N/O)/N	PC-id_61585448	295.4	KGSGLMHLUYDQOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055875
s1c2c(CCC2)cc1C(=O)N(CC(C)/C(=N/O)/N)CC	PC-id_61577303	295.4	MEKBBTZRYIHEFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055876
s1c2c(CCC2)c(c1NC(=O)CCC)C(=O)NCCN	PC-id_39162839	295.4	IMMJBCKSMXYJFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055877
s1c2c(CCC2)c(c1NC(=O)C(C)C)C(=O)NCCN	PC-id_39162847	295.4	QOYMAXHNSAUZSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055878
s1c2CCCc2nc1NC(=O)C1C(NCCC)COC1	PC-id_66254636	295.4	JTMNHWLNUAHZKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055879
s1c2CCCc2nc1NC(=O)CCOC1CCNCC1	PC-id_63902791	295.4	SZGKYFYDFOWNSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055880
CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1	CoCoCo_3633010,ZINC22_5334072,PC-id_5788948	295.402	ITVJQCZEIJNLMO-YBFXNURJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055881
N#Cc1cccc(c1)C1(NCc2sc3c(n2)CCC3)CC1	MCULE-2339434553,EMOLS-id_318533975	295.402	YAVDMDGOPRNNLZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055882
NC(c1ccnn1c1ccccc1)c1sc2c(c1)CCC2	PC-id_107331940	295.402	CUPJAAPGMHKHFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055883
N#Cc1c(/N=Cc2ccc(cc2)N(C)C)sc2c1CCC2	CoCoCo_3633011	295.402	ITVJQCZEIJNLMO-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055884
N#Cc1c(N=Cc2ccc(cc2)N(C)C)sc2c1CCC2	EMOLS-id_26152121,PC-id_3307938,MCULE-6492741569	295.402	ITVJQCZEIJNLMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055885
s1c2c(CCC2)cc1C(N)c1cn(nc1)c1ccccc1	PC-id_43464651	295.402	LWEFQPLQMGEASM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055886
CC1CCSCCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_100302976	295.404	FNQKQGMHJVITPD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055887
CC1CSCCN(C1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_100489164	295.404	VCLLBXKIPTUBAR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055888
CC1OCCN(C1)C(=NCCc1cn2c(n1)SCC2)N	PC-id_120662128	295.404	GBJVKNKZIBPORE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055889
CC1SC(C)CN(C1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102275561	295.404	PSDAWUUFJMOHKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055890
CC1SCCN(C1C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_102423803	295.404	ZZYATXUWFFVXMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055891
CC1SCCN(CC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_100581937	295.404	XOWRZLQEPOZZDE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-055892
NC(=NCC1CCCO1)NCCc1cn2c(n1)SCC2	PC-id_120363234	295.404	AWYBQJZPHRBTAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055893
O=C(N1CCSC(C1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_102941762	295.404	XCSFUYLKZUJZMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055894
O=C(NC(c1nnc2n1CCC2)C)NC1CSC1(C)C	EMOLS-id_97944808	295.404	PWBITNOKRDAOPI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055895
O=C(NCc1nnc2n1CCC2)NCC1CCCSC1	EMOLS-id_98962081	295.404	PFHGZAAXBFCJDO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055896
S1CC(NCC1)CC(=O)NC(c1n2CCCc2nn1)C	PC-id_66421818	295.404	VMJTZBOUNVIJLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055897
S1CC(NCC1)CC(=O)N(Cc1n2CCCc2nn1)C	PC-id_66422458	295.404	PUNRWWGIFLVKTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055898
C[C@H](F)[C@H]1CCCN1C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325873907	295.415	YKTWGZMZUNWVKX-CMPLNLGQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055899
C[C@H](F)[C@@H]1CCCN1C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325873908	295.415	YKTWGZMZUNWVKX-JQWIXIFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055900
C[C@@H](F)[C@@H]1CCCN1C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325873909	295.415	YKTWGZMZUNWVKX-PWSUYJOCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055901
C[C@@H](F)[C@H]1CCCN1C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325873910	295.415	YKTWGZMZUNWVKX-ZYHUDNBSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055902
s1c2CCCc2cc1C(=O)NCCC[NH+]1CCOCC1	PC-id_2315046	295.42	UNHPYCJUGSFQDT-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-055903
C1CC(C(C1)NCc1cnc2n1CCC2)Cc1ccccc1	EMOLS-id_318188414	295.422	BLAQXQRDPXSRLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055904
c1ccc(cc1)C1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318391050,MCULE-5714083516	295.422	SPIOUJANFWMPAN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-055905
c1ccc(cc1)CC1(CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318267682	295.422	MRDPLMARLMXLON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055906
c1ccc(cc1)CC1CCCCC1NC1CCn2c1ncc2	EMOLS-id_318009491,MCULE-7442665858	295.422	PYWAUTIRRISLIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-055907
C1CCC(CC1)(CNC1CCn2c1ncc2)c1ccccc1	EMOLS-id_318278448,MCULE-3079460337	295.422	NTFYJGXWLSTSOI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-055908
C1CCC(C(C1)CNC1CCn2c1ncc2)c1ccccc1	MCULE-2285764878,EMOLS-id_318367547	295.422	IWYZSCKTXGXNMT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-055909
C1CC(NCc2cnc3n2CCC3)CC(C1)c1ccccc1	EMOLS-id_318173286,MCULE-7328608075	295.422	OOOPFTAYMUBSNK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-055910
C1CCN(C(CC1)c1ccccc1)Cc1cnc2n1CCC2	EMOLS-id_318369630	295.422	DWUPDDABBGAHCT-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-055911
CC1CC(c2n1ccn2)NC1CCCC1Cc1ccccc1	EMOLS-id_318246214,MCULE-1425315403	295.422	DNSADVZNDRQJQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055912
CC1CC(c2n1ccn2)NC1CCC(C1)(C)c1ccccc1	EMOLS-id_318324541,MCULE-7714440260	295.422	JBMODFAJOVRPTL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055913
CC1CC(c2n1ccn2)NC1CCC(C1)Cc1ccccc1	MCULE-7802908699,EMOLS-id_318324285	295.422	GIOFMTZSYSGENR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055914
CC1CC(c2n1ccn2)NCC1(CC1(C)C)c1ccccc1	MCULE-6536073816,EMOLS-id_318146222	295.422	CXXFZNXVYJQKRK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055915
Cc1cccc(c1)C1(CCCC1)CNC1CCn2c1ncc2	EMOLS-id_318180888,MCULE-9416091220	295.422	LSNCDEHCMGHMIZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055916
Cc1cccc(c1)C1(CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318386176,MCULE-8468310390	295.422	NVFRZQZHIZCZLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055917
Cc1ccc(cc1)C1CCCC1NCc1nn2c(c1)CCC2	EMOLS-id_318619933,MCULE-6944456177	295.422	BZJNYMDTIUIYKR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055918
Cc1ccc(cc1C)C1(CCC1)CNC1CCn2c1ncc2	EMOLS-id_318159958,MCULE-3260328163	295.422	WSOUYIQCHIUROX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055919
Cc1ccc(c(c1)C)C1(CNC2CC(n3c2ncc3)C)CC1	EMOLS-id_318371637,MCULE-7943279620	295.422	GWISGQJBAQXPKW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055920
CC(C1(CCCC1)c1ccccc1)NC1CCn2c1ncc2	EMOLS-id_317993296,MCULE-8559606223	295.422	LONQVHRTXPNHLM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055921
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1CN	EMOLS-id_330995903,MCULE-1673107964	295.422	MDISALAAUDNJLD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055922
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1CN	EMOLS-id_331000243,MCULE-3555662692	295.422	HULSAZJZOVBZNN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055923
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1CN	MCULE-6911191814,EMOLS-id_330998194	295.422	CFUHMNNDLHJRCS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-055924
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1N	MCULE-5486473585,EMOLS-id_331010730	295.422	MMMQXPUHGMZSPJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055925
CC(c1nn2c(c1)CCC2)NC1CC(C1)(C)c1ccccc1	MCULE-7772535644,EMOLS-id_318181834	295.422	KEXUTEJKRFHATL-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-055926
CC(c1nn2c(c1)CCC2)NCC1(CC1)Cc1ccccc1	EMOLS-id_318105913	295.422	URNIERPKWNZKFZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-055927
CC(c1nn2c(c1)CCC2)N[C@@H]1CCC[C@@H]1c1ccccc1	EMOLS-id_319855308,MCULE-9756586453	295.422	MFLIFRFKAKCIPS-KNHHTTPFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-055928
CC[C@H](C[C@@H](N1Cc2c(C1)cnn2CC(O)(C)C)CN)N	PC-id_144161497	295.424	SMEFRXQDMRDXDX-CHWSQXEVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055929
CCOc1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_103359399	295.424	IELBVMGEEZTGQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055930
COCCNC(c1sc2c(n1)CCC2)c1nccs1	PC-id_104077807	295.424	FDRDSXXYKIVPCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055931
COCCNC(c1sc2c(n1)CCC2)c1ncsc1	PC-id_116084278	295.424	UZNCPBIUKXNRMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055932
COCCNC(c1sc2c(n1)CCC2)c1scnc1	PC-id_104077806	295.424	SHJOYISBXZDFLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055933
C(=O)(Nc1sc2CCCc2c1C#N)C(CCSC)N	PC-id_76896659,EMOLS-id_327842720,MCULE-8071304612	295.424	HJOLKEMCFWYKQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055934
CSCC[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N	PC-id_104908177	295.424	HJOLKEMCFWYKQV-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055935
s1c2CCCc2cc1C(=O)NNC(=S)NCC(=C)C	PC-id_8745976	295.424	PHIHZYAGSIQISE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055936
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)CCSC)C#N	PC-id_61258229	295.424	HJOLKEMCFWYKQV-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-055937
s1c2CCCc2nc1NC(=O)C1(CCCC1)C(=S)N	PC-id_61837011	295.424	RYJIJBQCVQSWRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055938
S=C(N)C1(CC(C1)C)C(=O)Nc1sc2CCCc2n1	PC-id_80589723	295.424	ZGLXNRWDHUXNFZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-055939
OCCC(CC(C)C)CNC(=O)c1sc2c(c1)CCC2	PC-id_112287143	295.44	LHACSCLNVFFXGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055940
OCCC(CNC(=O)c1sc2c(c1)CCC2)(CC)CC	PC-id_112300868	295.44	HQEGAOSHEYEGGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055941
s1c2c(CCC2)cc1CNCCCCCC(=O)OCC	PC-id_64296292	295.44	JGYSLMUWDMWWGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055942
s1c2c(CCC2)cc1CNCC(O)COC1CCCC1	PC-id_61207600	295.44	YNEIQBKPFJSPQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055943
s1c2c(CCC2)c(c1NCCCCCC)C(=O)OCC	PC-id_83380623	295.44	HONZHVKIMXQPNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055944
c1(NC(=O)CC(C)(C)C)c2CSCc2nn1C(C)(C)C	EMOLS-id_29772168,ZINC22_5077179,MCULE-7291465102,PC-id_7483961,CoCoCo_5065542	295.443	GHOFTNCNNSYXPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055945
CC1(C)CC(C(O1)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_318024527,MCULE-3154901820	295.443	OFNFLAMFKQHNLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055946
CCC(C1=Nc2n(S1C(C1CCCCC1)O)cnc2)C	SCHEMBL20743764	295.443	FJBUTNWHIULRMR-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-055947
CCCC1=Nc2n(S1C(CC1CCCCC1)O)cnc2	SCHEMBL20743286	295.443	SUGNCXBMLFSOGH-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-055948
CCC(C(=O)Nc1c2CSCc2nn1C(C)(C)C)CC	ChEMBL-DNDi_CHEMBLF0396-0289,PC-id_4231280,CoCoCo_4972739	295.443	UHQYUBKJEMMCCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055949
CCC(N1CCN(CC1)Cc1sc2c(n1)CCC2)CO	PC-id_109975192	295.443	YJMZFPAPKDYWHZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055950
N/N=C/c1c(sc2c1CC(C2)(C)C)C(NC(C)(C)C)O	SCHEMBL18776655	295.443	ZCSQZXIXESJCGJ-CAOOACKPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055951
OCCN(C1CCN(CC1)C)Cc1sc2c(n1)CCC2	PC-id_109973855	295.443	DYJPEWCJZULPBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055952
OC(S1C(=Nc2n1cnc2)C)CC1CCC(CC1)(C)C	SCHEMBL20743987	295.443	XUQAUBRWUNFZQJ-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-055953
OC(S1C(=Nc2n1cnc2)CC(C)C)C1CCCCC1	SCHEMBL20743765	295.443	ZBBQCTBZPXEBAD-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-055954
s1c2C(OC(c2nc1C(N1CCNCC1)C)(C)C)(C)C	PC-id_79917059	295.443	GQIQXQABGCAMRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-055955
OC(CN1CCCC1)CNC(c1sc2c(n1)CCC2)C	PC-id_110017270	295.444	QMOWNANWARWNPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055956
s1c2c(CCC2)cc1CNCCCC(C)(C)/C(=N/O)/N	PC-id_65259250	295.444	WASJTGVCGZKARN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055957
s1c2CCCc2nc1NC(=O)CCC(CCC)CCN	PC-id_64347970	295.444	JFROAFNFCBQJDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055958
s1c2CCCc2nc1NC(=O)CCC(C(C)C)CCN	PC-id_64360618	295.444	RNUQARVEIPJTGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055959
COC(=O)c1ccn2c1C[C@H](C2)O[Si](C(C)(C)C)(C)C	PC-id_140666696	295.449	ACOBHJBVXPICAV-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055960
CC1C(C)CCCC1NC(=O)c1sc2c(c1)CSC2	SCHEMBL12858184,PC-id_4052721	295.463	JTAHOWFVMPDHOH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-055961
O=C(NCCSC1CCCC1)c1cc2c(s1)CCC2	PC-id_32542709,MCULE-7641569864,EMOLS-id_44527424,ZINC22_25247571	295.463	FDEXRXPNBZRBJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055962
CCCNC(c1sc2c(c1)CCC2)CCC(OC)(C)C	PC-id_103031983	295.483	KIOPQCJRIKKQQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055963
C1Cc2c(C1)sc(c2C(=O)O)NC(=O)C(F)(F)Cl	SCHEMBL20541977,PC-id_135363197	295.69	SDUAIJBKFRJGFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-055964
COc1cc(Cl)c(c(c1)C(=O)N1CCn2c1ccn2)F	MCULE-2392716979,EMOLS-id_320319250	295.697	IUBROGCJBDPOQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055965
Cc1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324839662	295.72	HXTPPGJWGDNTSK-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-055966
Clc1sc2S(=O)(=O)N(CCC(=O)O)C(=O)c2c1	PC-id_71669652	295.72	RCXXBXWBYSNBKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055967
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)C	MCULE-6101545163	295.72	HXTPPGJWGDNTSK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-055968
C1COc2c(c(nn12)C(=O)NCCCn1ccnc1)Cl	PC-id_91960032	295.725	OAROUSQRSICHKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055969
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)nn(c(Cl)n1)C	MCULE-8565958910,EMOLS-id_324090203,PC-id_146040046	295.728	RRXXWYCVOQRRSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055970
Cc1nnc2n1C[C@@H](CNC(=O)c1nc(Cl)n(C)n1)C2	ZINC22_1857674652	295.728	RRXXWYCVOQRRSY-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055971
Cc1nnc2n1C[C@H](CNC(=O)c1nc(Cl)n(C)n1)C2	ZINC22_1857674653	295.728	RRXXWYCVOQRRSY-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-055972
Clc1cc(sc1)C(=O)c1n2CCC(c2cc1)C(=O)O	SCHEMBL11357941,PC-id_20356185	295.741	DQFYKEZYJXMKMF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-055973
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccsc1	SCHEMBL11064474,PC-id_20456505	295.741	AQEZNGPDVCAIBT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-055974
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1sccc1	PC-id_20528188,SCHEMBL11264420	295.741	FFXZRNWNQKKFCR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-055975
Clc1c(scc1)C(=O)c1n2CCC(c2cc1)C(=O)O	SCHEMBL11355162,PC-id_21331542	295.741	BXHOYLZGVMEBBM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-055976
Clc1sc(C(=O)c2n3CCC(c3cc2)C(=O)O)cc1	PC-id_21331535,SCHEMBL11347924	295.741	JPWPQSGUBRWTJU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-055977
Clc1ccc(NC(=O)Nc2onc3c2CSC3)cc1	PC-id_49719371	295.745	ZMDXMIPNBKQGOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055978
Clc1cc(NC(=O)Nc2onc3c2CSC3)ccc1	PC-id_49719370	295.745	ZDOSNSWQSGFHIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055979
Clc1c(Nc2sc3CCCc3n2)ncc(c1)C(=O)O	PC-id_61511862	295.745	VOUZVUVTANWDRD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055980
Clc1c(nc(Nc2sc3CCCc3n2)cc1)C(=O)O	PC-id_61511899	295.745	FFFVWHKSYQUUHV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055981
Clc1c(NC(=O)Nc2onc3c2CSC3)cccc1	PC-id_49719385	295.745	PHORIFWGHHCWKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055982
Clc1nc(Nc2sc3CCCc3n2)cc(c1)C(=O)O	PC-id_61511934	295.745	QUKPMOHTAMOYLD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055983
Clc1nc(Nc2sc3CCCc3n2)c(cc1)C(=O)O	PC-id_63380374	295.745	ZFOVZBKMSYDPRZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055984
OC(=O)c1cc(ncc1Cl)Nc1sc2c(n1)CCC2	PC-id_114919401	295.745	ULPWVFKFPIDLLF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-055985
Clc1cc(F)c(NC(=O)c2sc3CCCc3c2)cc1	PC-id_9097412	295.76	QNFQNWPVOVMKMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055986
Clc1cc(NC(=O)c2sc3CCCc3c2)ccc1F	GD-id_ZINC07969520,MCULE-9710550581,EMOLS-id_257850162,PC-id_9096469	295.76	HINDCFCRYYUULD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055987
Clc1c(F)c(NC(=O)c2sc3CCCc3c2)ccc1	PC-id_9146209	295.76	MKJGRJHZAUAXEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055988
Nc1c(C(=O)c2cc(F)c(Cl)cc2)c2c(CCC2)s1	PC-id_71758356,ZINC22_95347569,EMOLS-id_46217832,MCULE-9241225803	295.76	GMBOUMNYICQVBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055989
Clc1sc2CCC(Nc3cc(O)c(OC)cc3)c2c1	PC-id_81251415	295.784	KVWPFZJXMZYFHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-055990
ClCc1cc(oc1C)C(=O)Nc1sc2c(c1)CCC2	PC-id_93820186	295.784	MSSXGVBLCUCIJW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-055991
Clc1ccc(OCCN2Cc3sc(nc3C2)N)cc1	PC-id_82194282	295.788	FVCGZHIOGQAUGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-055992
Clc1ccc(s1)[C@@H](NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318636850	295.788	IWWKSCJPHLIQEE-QMMMGPOBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055993
Clc1ccc(s1)[C@H](NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318700213	295.788	IWWKSCJPHLIQEE-MRVPVSSYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055994
Clc1ccc(s1)C(NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318746109	295.788	RGNLUGJAVUNAEX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055995
Clc1ccc(s1)C(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_318526263	295.788	BIELCESXNSDUHB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055996
Clc1ccc(s1)C(NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318564064	295.788	IWWKSCJPHLIQEE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055997
Clc1ccc(s1)CN(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_318615744	295.788	GBEZOALWPXKPLV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-055998
Clc1cc(n(c1)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318586162	295.788	KVJUANCYOWQTPU-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-055999
Clc1c(NCc2sc3CCCc3c2)nc(OC)nc1	PC-id_80758815	295.788	HCDZKNZXMBLOPY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056000
Clc1c(OCCN2Cc3sc(nc3C2)N)cccc1	PC-id_82194285	295.788	GYPODNAJYAAZAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056001
Cn1nc(c(c1)Cl)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318570578	295.788	UDQLKTMOBCTNRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056002
COc1c(ncnc1Cl)NCc1sc2c(c1)CCC2	PC-id_114156600	295.788	WLKKWTMMFGPHKH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056003
O=c1n(C)ncc(c1Cl)NCc1sc2c(c1)CCC2	PC-id_115595645	295.788	HEZZCOVMJDSGOO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056004
O=C(c1sc2c(c1)CCC2)NCc1ncc(n1C)Cl	EMOLS-id_318760733	295.788	WURUNDBWHIWWAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056005
O=C(c1scc(c1Cl)C)NCc1cnc2n1CCC2	EMOLS-id_320050362,MCULE-8215552054	295.788	QJQMCFIJSYPMDO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056006
O=C(Cc1ccc(s1)Cl)NCc1n[nH]c2c1CCC2	MCULE-4346112666,EMOLS-id_320141856	295.788	RCKPAMVENWXRNW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056007
O=C(NC1CC(n2c1ncc2)C)Cc1ccc(s1)Cl	EMOLS-id_318626836	295.788	GHZQJTWCOPDQRW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056008
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(s1)Cl	EMOLS-id_318581501	295.788	KZVKXXXZVYNHIY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056009
Clc1ccc(c(c1)CC(c1sc2c(c1)CCC2)N)F	PC-id_103053026	295.803	BCDFWKYRDKVOAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056010
Clc1ccc(c(c1)CNCc1sc2c(c1)CCC2)F	PC-id_115762275	295.803	ZVKOJMYRNRNORK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056011
Clc1ccc(c(c1)F)CC(c1sc2c(c1)CCC2)N	PC-id_105055253	295.803	TZHVQIUBSWWSOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056012
Clc1ccc(c(c1)F)CNCc1sc2c(c1)CCC2	PC-id_114842168	295.803	UBXQYXQJTXVZLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056013
Clc1c(CC(N)c2sc3c(CCC3)c2)c(F)ccc1	PC-id_61078651	295.803	VZMSXDGRLMTDKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056014
Clc1cc(CNCc2sc3c(CCC3)c2)ccc1F	PC-id_81146204	295.803	VBQLBXKFAUHBCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056015
Clc1c(C(N)c2sc3c(CCC3)c2)cc(c(F)c1)C	PC-id_81045812	295.803	BMEPOELVRLILOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056016
Clc1c(CNCc2sc3c(c2)CCC3)cccc1F	PC-id_112651901	295.803	SYAQDKPRGNOBLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056017
Clc1c(CNCc2sc3c(CCC3)c2)ccc(F)c1	PC-id_61207427	295.803	NGFPGMFMQFFWAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056018
Clc1c(CNCc2sc3c(CCC3)c2)c(F)ccc1	PC-id_61207961	295.803	SJVMKEUSQPTBLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056019
Clc1c(F)cc(CNCc2sc3c(CCC3)c2)cc1	PC-id_61652476	295.803	AODJONNHPJRIHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056020
Clc1sc2c(C(NC(c3ccc(F)cc3)C)CC2)c1	PC-id_81252376	295.803	QEOPLVUEXQCXCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056021
Clc1sc2c(C(NC(c3cc(F)ccc3)C)CC2)c1	PC-id_81252572	295.803	CPCUIMLQESDTNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056022
Clc1sc2c(C(NC(c3c(F)cccc3)C)CC2)c1	PC-id_81252796	295.803	IWIKLOHDIVIWHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056023
Clc1sc2c(C(NCCc3ccc(F)cc3)CC2)c1	PC-id_81252370	295.803	URLZAPGJHPDXQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056024
Clc1sc2c(C(NCCc3cc(F)ccc3)CC2)c1	PC-id_81251836	295.803	DDYPOLQLBVDUDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056025
Clc1sc2c(C(NCCc3c(F)cccc3)CC2)c1	PC-id_81251933	295.803	PVPVOYNPYMISOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056026
Clc1sc2c(C(N[C@H](c3ccc(F)cc3)C)CC2)c1	PC-id_81347094	295.803	QEOPLVUEXQCXCE-LLTODGECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056027
Clc1sc2c(C(N[C@@H](c3ccc(F)cc3)C)CC2)c1	PC-id_81351630	295.803	QEOPLVUEXQCXCE-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056028
Clc1sc2c(C(N[C@H](c3cc(F)ccc3)C)CC2)c1	PC-id_81365021	295.803	CPCUIMLQESDTNH-LLTODGECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056029
Clc1sc2c(C(N[C@@H](c3cc(F)ccc3)C)CC2)c1	PC-id_81368627	295.803	CPCUIMLQESDTNH-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056030
Clc1sc2c(C(N[C@@H](c3c(F)cccc3)C)CC2)c1	PC-id_81380809	295.803	IWIKLOHDIVIWHW-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056031
CNC(c1ccc(cc1F)Cl)c1sc2c(c1)CCC2	PC-id_105022443	295.803	KHXNLHFUFPSOFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056032
CNC(c1cc(F)ccc1Cl)c1sc2c(c1)CCC2	PC-id_105397085	295.803	RFSPCVYPFYDIIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056033
Fc1ccc(c(c1)CC(c1sc2c(c1)CCC2)N)Cl	PC-id_102622928	295.803	QXHMGITVFDCESP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056034
Fc1ccc(c(c1)Cl)CC(c1sc2c(c1)CCC2)N	PC-id_115840389	295.803	LNUSPLPOJZRNCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056035
Fc1ccc(c(c1)CNCc1sc2c(c1)CCC2)Cl	PC-id_102615549	295.803	QWGQRXNNSHFMKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056036
Fc1cc(CNCc2sc3c(c2)CCC3)cc(c1)Cl	PC-id_114452732	295.803	YGJBLGSYZBSIDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056037
Fc1c(CNCc2sc3c(c2)CCC3)cccc1Cl	PC-id_115695947	295.803	WTNDAFMQUOLOAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056038
NC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Cl)F	PC-id_103043076	295.803	YCARXBVXVYULRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056039
NC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)F	PC-id_105032353	295.803	NODKIEWKDYXWND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056040
NC(c1sc2c(c1)CCC2)Cc1cccc(c1F)Cl	PC-id_102867287	295.803	XYFXCMZJPOZORV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056041
NC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)Cl	PC-id_107891522	295.803	IKGZJNQSMBIQDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056042
Clc1ccc(cc1)C(=O)c1c(N)sc2c1CCS2	SCHEMBL5676727,PC-id_9922195	295.808	XUFMREVPILSXTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056043
ClCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109744	295.808	UPEIGJUUITUEJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056044
N#Cc1sc(nc1Cl)NCc1sc2c(c1)CCC2	PC-id_113854363	295.811	UERDOVQQDXABLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056045
Clc1sc2c(C(NC(c3c(oc(c3)C)C)C)CC2)c1	PC-id_81252596	295.828	UUFRZQLWCMBUFD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-056046
Clc1sc2c(C(NC(CCc3occc3)C)CC2)c1	PC-id_81251713	295.828	DCEJWNHNELRIKO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-056047
Cc1nn(c(c1CNCc1sc2c(c1)CCC2)Cl)C	PC-id_115614705	295.831	LFZVQGLPFZVUFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056048
CCc1nn(cc1CNC1CCc2c1cc(s2)Cl)C	PC-id_112550361	295.831	ARTCOFITSFNMJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056049
CC(C)n1cncc1CN[C@@H]1CCc2sc(Cl)cc12	ZINC22_424168668	295.831	GIDIOGIOLXAGCJ-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056050
CC(C)n1cncc1CN[C@H]1CCc2sc(Cl)cc12	ZINC22_424168672	295.831	GIDIOGIOLXAGCJ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056051
CCCn1ncc(c1C(c1sc2c(c1)CCC2)N)Cl	PC-id_105042479	295.831	NCRTULLIHOQNGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056052
CCn1ncc(c1C(c1sc2c(c1)CCC2)NC)Cl	PC-id_105040444	295.831	HFIJTJAZRYHIDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056053
CC(n1ncc(c1C(c1sc2c(c1)CCC2)N)Cl)C	PC-id_105041634	295.831	VRQZYIDIBWRBFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056054
CCNC(c1c(Cl)cnn1C)c1sc2c(c1)CCC2	PC-id_105046798	295.831	JNEFOYINEMLYCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056055
Clc1c(n(nc1C)C)CNCc1sc2c(CCC2)c1	PC-id_65859281	295.831	SIHWXJNKJIMJFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056056
Clc1sc2c(c1)C(CC2)NCc1cncn1C(C)C	EMOLS-id_316912279,MCULE-7440160828	295.831	GIDIOGIOLXAGCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056057
Clc1sc2c(C(NCc3c(n(nc3C)C)C)CC2)c1	PC-id_81251328	295.831	ZOCQGFNTLBTJLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056058
Clc1sc2c(C(NC(c3c(n(nc3)C)C)C)CC2)c1	PC-id_81251957	295.831	MUOIJCJMVFEENZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056059
Clc1sc2c(C(NCCCc3c([nH]nc3)C)CC2)c1	PC-id_81252073	295.831	KXQHYZLLFCQFLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056060
Clc1sc2c(C(NCCCCn3ccnc3)CC2)c1	PC-id_81251524	295.831	OOTRSUGTQIKZKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056061
NC(c1sc2c(c1)CCC2)Cc1c(C)nn(c1Cl)C	PC-id_105034863	295.831	BDNQSMWRFZGWSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056062
NC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Cl)C	PC-id_104996547	295.831	LRNKTGZZZBPVNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056063
Clc1sc2CCC(Nc3ccc(SC)cc3)c2c1	PC-id_81251705	295.851	PHQDKPGMSBCZDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056064
Clc1sc2CCC(Nc3cc(SC)ccc3)c2c1	PC-id_81252978	295.851	WKIYNESEHZDJQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056065
Clc1sc2CCC(Nc3c(SC)cccc3)c2c1	PC-id_81251950	295.851	QATZZTXZBZVWTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056066
BrC1(Br)CC(=O)c2sccc12	PC-id_85725371	295.979	WYGQZCAWMHPEKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056067
Brc1sc(Br)c2CCC(=O)c12	EMOLS-id_276006023,MCULE-3811808004,PC-id_85725344,SCHEMBL15774061	295.979	MWAWIFDPWYYXOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056068
CC1([C@@H](C(n2c1ccn2)F)N)[I-]C	PC-id_163572548	296.007	UWXCNTKRTBFSOP-JECWYVHBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056069
BrCc1c(Br)sc2CCCc12	MCULE-7511952906,EMOLS-id_331060263	296.022	YQNVZFKOKNDLGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056070
CC1CCc2c1c(Br)sc2Br	PC-id_140684196	296.022	NAXNTBFEGQXQDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056071
[Se]1(=O)Cc2c([se]c(c2)C(=O)O)C1	PC-id_86004766	296.041	OKQQGTRYVRMAOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056072
CN1C(=CN=N1)S(=O)(=O)NC(=O)C2=CN3CCCC3=N2	MCULE-6378094009,PC-id_154762749,EMOLS-id_317315816	296.069	QQKXZVUOCPLFCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056073
c1(C(=O)O)c2COCc2sc1I	MCULE-2125351923,EMOLS-id_331063585	296.082	RTORYVYUOUZBJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056074
Cn1ccc2c1C(=NS2(=O)=O)I	PC-id_70333854,SCHEMBL8285737	296.086	KCVUNQMAQIHBHL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-056075
Clc1c(C(=O)C2c3[nH]ccc3OC2=O)cccc1Cl	PC-id_70163359,SCHEMBL7690220	296.106	GFMGAUPUYYSVFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056076
Clc1c(C(=O)c2[nH]c3c(OC(=O)C3)c2)ccc(Cl)c1	SCHEMBL7678051,PC-id_18424179	296.106	GCAVCKGTJRTVJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056077
CCC(C)C1=C2C(=C(S1)C(C)(C)C)C(=O)C(C2=O)(O)O	PC-id_153065717	296.108	VKIJRLUDFBVONV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056078
O=C(c1[nH]ncc1Br)NC1CCn2c1ncc2	EMOLS-id_319140923	296.123	IYJRYZNGZNBKQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056079
c1(C=O)c2CSCc2sc1I	EMOLS-id_331062316,MCULE-6334263875	296.148	AZCUDTIOYVYJBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056080
CC1(C2=NN(C(=C2CN1C(=O)OC(C)(C)C)N)C(=O)O)C	PC-id_150738635	296.148	JTJFYSXBTQHDFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056081
C1CCc2n1c(c(n2)N)C(=O)c1ccc(Cl)cc1Cl	PC-id_16762078,MCULE-7731912198,ZINC22_12428486,EMOLS-id_9990358,TIMTEC310714	296.152	MKIZOVLWDAUGAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056082
C1CCc2n1c(c(n2)N)C(=O)c1cc(Cl)c(Cl)cc1	MCULE-8605653889,ZINC22_12428461,EMOLS-id_9990336,TIMTEC299363,PC-id_16762070	296.152	LXQJYLKIBBUMLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056083
c1(cn2c(CCC2)n1)C(=O)Nc1c(cccc1Cl)Cl	EMOLS-id_321295326,MCULE-3213477117	296.152	DKSIISXSTRSTLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056084
c1(C(=O)Nc2ccc(cc2Cl)Cl)c2CCCc2[nH]n1	EMOLS-id_179744934,MCULE-5354284050,PC-id_110388955	296.152	OOCGUPFHABAWLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056085
c1(C(=O)Nc2c(cccc2Cl)Cl)c2CCCc2[nH]n1	PC-id_110388958,EMOLS-id_179744943,MCULE-3238388541	296.152	SOBQKDFQPLQCLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056086
c1(C(=O)Nc2ccc(cc2Cl)Cl)cn2c(CCC2)n1	MCULE-9483355822,EMOLS-id_321294558	296.152	XPIIPTQKIBIAIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056087
c1(C(=O)Nc2ccc(c(Cl)c2)Cl)c2CCCc2[nH]n1	EMOLS-id_179744931,MCULE-2083700418,PC-id_110388954	296.152	YIQSJXFVYCYKCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056088
c1(C(=O)Nc2cccc(Cl)c2Cl)c2CCCc2[nH]n1	MCULE-2898364104,PC-id_110388959,EMOLS-id_179744946	296.152	MUTKUYLVVBJEEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056089
c1(C(=O)Nc2cccc(Cl)c2Cl)cn2c(CCC2)n1	EMOLS-id_321295582,MCULE-6221302059	296.152	MXDFPSFSTHLBCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056090
c1(C(=O)Nc2cc(cc(Cl)c2)Cl)cn2c(CCC2)n1	MCULE-1956354143,EMOLS-id_321295070	296.152	VESKQDUMOAYTSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056091
c1(C(=O)Nc2ccc(c(Cl)c2)Cl)cn2c(CCC2)n1	MCULE-4108634796,EMOLS-id_321298397	296.152	GBJLQGVKQGGJMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056092
c1(C(=O)Nc2cc(Cl)cc(Cl)c2)c2CCCc2[nH]n1	EMOLS-id_179744940,PC-id_110388957,MCULE-2687946057	296.152	BAJLOZRHVCUJLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056093
c1(C(=O)Nc2c(Cl)ccc(Cl)c2)c2CCCc2[nH]n1	PC-id_110388956,MCULE-6050438581,EMOLS-id_179744937	296.152	RFGWHVZMGUOFPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056094
c1(C(=O)Nc2c(Cl)ccc(Cl)c2)cn2c(CCC2)n1	EMOLS-id_321294814,MCULE-6505190051	296.152	ZWMJHDUQLDBHBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056095
Brc1ccc(o1)CNC1CC(n2c1ncc2)C	EMOLS-id_317930935	296.163	RQNMLRQZUWAPIZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-056096
Brc1ccc(o1)CNCc1cnc2n1CCC2	EMOLS-id_317925214,MCULE-3395644004	296.163	CEDWNQCXFJPPFL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-056097
Brc1ccoc1CNC1CC(n2c1ncc2)C	EMOLS-id_318709910	296.163	ZJAULTAEIDCOGC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-056098
C/C=CC(=C/C=C)C1CC(c2n1nc(n2)Br)O	PC-id_142514977	296.163	HGSGFGAQRCLUSX-QXMOYCCXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056099
CN1C=C(C(=N1)C2CCCCC2)C=C3CN4C=CN=C4C3=O	MCULE-7862707432,EMOLS-id_257947159,PC-id_154766559	296.164	DZWHXASHJKWYIV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-056100
Brc1cnn(c1CNC1CCn2c1ncc2)C	MCULE-8611570540,EMOLS-id_317931710	296.166	PBKRXJAVMVEAJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056101
Cn1cc(c(n1)NCc1cnc2n1CCC2)Br	EMOLS-id_318424683,MCULE-6490384427	296.166	RCMRWNSABWICMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056102
Brc1ccc(Nc2sc3CCCc3n2)nc1	PC-id_61510346	296.186	LBJIMBPGSOMXQJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056103
Brc1c(Nc2sc3CCCc3n2)nccc1	PC-id_55138994	296.186	ACFHOQLFGSCRQU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056104
Brc1cnccc1Nc1sc2c(n1)CCC2	PC-id_104778253	296.186	FPZSTBWVFAKDOD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056105
CC1(CC(C2=CC(=NN21)CO[Si](C)(C)C(C)(C)C)O)C	PC-id_162349473	296.192	UKERYFFKOXTJEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056106
Clc1ccc(c(c1)[C@H](NC1CCn2c1ncc2)C)Cl	EMOLS-id_318373687,MCULE-3731615539	296.195	ZFKHEWQBWRDYNL-CGCSKFHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056107
Clc1cccc(c1Cl)CCNC1CCn2c1ncc2	EMOLS-id_318468592,MCULE-9600642847	296.195	BZBVCLHBQFSIIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056108
Clc1ccc(cc1Cl)CCNC1CCn2c1ncc2	MCULE-3069307402,EMOLS-id_317925046	296.195	PRXVMKYMCUGFJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056109
Clc1ccc(c(c1)Cl)CCNC1CCn2c1ncc2	MCULE-9864768185,EMOLS-id_317979214	296.195	DVXUTSNVXFLDAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056110
Clc1ccc(c(c1)Cl)[C@@H](NC1CCn2c1ncc2)C	EMOLS-id_318221671	296.195	SXJRUWQLPJWEFA-LLTODGECSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056111
Clc1ccc(c(c1)Cl)[C@H](NC1CCn2c1ncc2)C	EMOLS-id_318290953	296.195	SXJRUWQLPJWEFA-CGCSKFHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056112
Clc1ccc(c(c1)Cl)C(NC1CCn2c1ncc2)C	EMOLS-id_317927570,MCULE-1872104685	296.195	SXJRUWQLPJWEFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056113
Clc1ccc(cc1Cl)CNC1CC(n2c1ncc2)C	EMOLS-id_317941337,MCULE-8775738496	296.195	YYPPBRSWPRYWCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056114
Clc1ccc(c(c1)Cl)CNC1CC(n2c1ncc2)C	EMOLS-id_318187069,MCULE-6621190851	296.195	JQCDGIWLXORNEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056115
Clc1cccc(c1Cl)CNC1CC(n2c1ncc2)C	MCULE-8393613994,EMOLS-id_317933940	296.195	GBLMZIMHPCURMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056116
Clc1ccc(cc1Cl)CNCc1cnc2n1CCC2	EMOLS-id_317922133,MCULE-1227526443	296.195	AZENYJXGAMACTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056117
Clc1ccc(c(c1)Cl)CNCc1cnc2n1CCC2	EMOLS-id_318237447,MCULE-3780912922	296.195	LSAXSTXHEJKMRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056118
Clc1ccc(c(c1)CNC1CC(n2c1ncc2)C)Cl	EMOLS-id_317998236,MCULE-3792305848	296.195	HGZLHPULIKVJTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056119
Clc1cccc(c1CNC1CC(n2c1ncc2)C)Cl	MCULE-8153308900,EMOLS-id_317954886	296.195	BICITEYWOLQVMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056120
Clc1cccc(c1CNCc1cnc2n1CCC2)Cl	EMOLS-id_317922901,MCULE-3703911639	296.195	LVBQJDPOIZONPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056121
Clc1cc(CNC2CC(n3c2ncc3)C)cc(c1)Cl	MCULE-1301860795,EMOLS-id_318172554	296.195	LNJGNTFAWDYCOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056122
Clc1cc(CNCc2cnc3n2CCC3)cc(c1)Cl	MCULE-7297519286,EMOLS-id_318111299	296.195	NYXKALCUFXOEEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056123
Clc1c(CNCc2cnc3n2CCC3)cccc1Cl	MCULE-1525930446,EMOLS-id_317968475	296.195	XVPDEEMHAVPDEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056124
C1Cc2nc(nn2C1C(F)(F)F)C(=O)N1CC(C1)(F)F	PC-id_134563857,SCHEMBL20213490	296.197	ZZUBXHOLGGASFV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-056125
C1Cc2nc(nn2[C@@H]1C(F)(F)F)C(=O)N1CC(C1F)F	SCHEMBL20213677,PC-id_134564021	296.197	SMDUJZDTBMMOSB-DGLNKRQFSA-N	00001010100000000001000010000000000000000000000000000000	25-01-056126
FC(F)(F)[C@@H]1CCc2nc(nn12)C(=O)N1CC(F)(F)C1	BindingDB-id_1065730,SCHEMBL20213463,PC-id_134563833	296.197	ZZUBXHOLGGASFV-YFKPBYRVSA-N	00001010100000000001000010000000000000000000000000000000	25-01-056127
FC(Oc1ccc(nc1)NC(=O)c1nn2c(c1)OCC2)F	EMOLS-id_317312987,MCULE-9125217073	296.23	JELYSUXEACFAFB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056128
c1(C(=O)Nc2cccc(c2)C(F)(F)F)c2CCCc2on1	MCULE-1081980954,PC-id_3353802,ZINC22_426296,EMOLS-id_15971928,TIMTEC53127	296.245	ANZDVELXPKXZDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056129
C1Cc2c(cnn2C1)C=Cc1nc(cc(=O)[nH]1)C(F)(F)F	PC-id_136555806,MCULE-9487746742	296.248	BGSRHXZPGPGXPF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056130
c1(C(=O)Nc2ccc(nc2)C(F)(F)F)c2CCCc2n[nH]1	ZINC22_95476291,PC-id_71705167,EMOLS-id_49405705,MCULE-8433735977,STOCK7S-43794,EMOLS-id_48569254	296.248	WLGULHSRADQZTD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056131
Oc1cc(C(F)(F)F)nc(/C=C/c2cnn3c2CCC3)n1	ZINC22_1616045949	296.248	BGSRHXZPGPGXPF-ONEGZZNKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056132
O=C(c1ccncc1C(F)(F)F)NC1CCn2c1ncc2	MCULE-2124992145,EMOLS-id_316872376	296.248	JUUVYGSTIMXQIB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056133
O=C(Cc1cccc(C(F)(F)F)n1)N1CCn2nccc12	ZINC22_935882317,EMOLS-id_316997551,MCULE-6656624377	296.248	JMMUULVSVMURKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056134
O=C(NC1CCn2c1ncc2)Nc1cc(F)cc(c1F)F	MCULE-5043226211,EMOLS-id_319828724	296.248	AMRLAQDBMZOONW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056135
O1C(CN2CCN(CC2)C(=O)[O-])Cn2c1nc([N+](=O)[O-])c2	SCHEMBL5538962,PC-id_23081211	296.259	IJEVWAQZOUYWIT-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-056136
O1[C@H](CN2CCN(CC2)C(=O)[O-])Cn2c1nc([N+](=O)[O-])c2	PC-id_69480409,SCHEMBL5538966	296.259	IJEVWAQZOUYWIT-MRVPVSSYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-056137
O1[C@@H](CN2CCN(CC2)C(=O)[O-])Cn2c1nc([N+](=O)[O-])c2	PC-id_69480799,SCHEMBL5540337	296.259	IJEVWAQZOUYWIT-QMMMGPOBSA-M	00000010100010000001000010000000000000000000000000000000	25-01-056138
O=C(c1n2CCCc2c(c1N)C#N)c1cc([N+](=O)[O-])ccc1	PC-id_23795756	296.281	BECUHAVGCIJQMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056139
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(N=[N+]=[N-])cc1	PC-id_13487056	296.281	PZZPOWHSWVCSSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056140
C1c2c(CN1C(=O)N)[nH]nc2N(C#N)C(=O)c1ccccc1	SCHEMBL4019871,PC-id_87610973	296.284	CGYLKRJWMBDWSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056141
N#Cc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	PC-id_68879937,SCHEMBL4019869	296.284	PLFGWOCFEWXBHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056142
N#Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2917769,PC-id_68440420	296.284	GVKLMJKRAUYXRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056143
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2923568,PC-id_68442462	296.284	AZDBWYKZMBGHMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056144
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)C(F)(F)F	MCULE-4188665817,EMOLS-id_331020781	296.288	JZDDRQAOSLCTJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056145
CC1CCc2c1c(O)nn2Cc1ccccc1C(F)(F)F	MCULE-1337179433,EMOLS-id_331018990	296.288	IDAIAOMHSMNFRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056146
CC1CCc2c1c(O)nn2Cc1cccc(c1)C(F)(F)F	MCULE-8900047685,EMOLS-id_331021038	296.288	AAYBUXYIWMOZKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056147
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(O)c12	MCULE-1797047102,EMOLS-id_331003819	296.288	UUMBTKBHLAXYAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056148
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(O)c12	MCULE-6779846156,EMOLS-id_331005867	296.288	MJXKVNSYEUBDQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056149
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(O)c12	MCULE-7730168028,EMOLS-id_331005610	296.288	KFQDUDAMNLIMFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056150
CC1CC(c2n1ccn2)NCc1cnccc1C(F)(F)F	EMOLS-id_318145710	296.291	NSJAVCRPFSSAGM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056151
CC1CC(c2n1ccn2)NCc1cncc(c1)C(F)(F)F	EMOLS-id_318661920	296.291	YKWCKYXRASMLOK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056152
CC1CC(c2n1ncn2)Nc1ccc(cc1)CC(F)(F)F	EMOLS-id_318393263,MCULE-1525458917	296.291	IOXZGZHSGWFHRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056153
CC1CC(c2n1ncn2)Nc1cccc(c1)CC(F)(F)F	MCULE-4361504301,EMOLS-id_318529855	296.291	XAQGRBCSLCCDOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056154
Cc1cc(ncc1NCc1cnc2n1CCC2)C(F)(F)F	EMOLS-id_318351959	296.291	KLVWCPREAIBJHZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056155
Fc1cc(CNC(c2n3CCCc3nn2)C)cc(F)c1F	PC-id_63050873	296.291	WPPSVWQTIJBPBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056156
Fc1cc(F)c(cc1CNC(c1nnc2n1CCC2)C)F	PC-id_103792511	296.291	OMRKVPCSTFZWFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056157
FC(c1cccc(n1)CNCc1cnc2n1CCC2)(F)F	MCULE-2987403256,EMOLS-id_318431384	296.291	PJXSCFSXDPWNKH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056158
FC(c1ccnc(c1)CCNC1CCn2c1ncc2)(F)F	MCULE-5027643873,EMOLS-id_318678140	296.291	FNNWCAVHPUXUQQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056159
FC(c1ccncc1CNCc1cnc2n1CCC2)(F)F	EMOLS-id_318040492,MCULE-4427021090	296.291	TVYNQIKENZEACH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056160
FC(c1cncc(c1)CNCc1cnc2n1CCC2)(F)F	MCULE-8495405882,EMOLS-id_318599708	296.291	YYVMLZRMNDRUTO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056161
FC(c1nccc(c1)CNCc1cnc2n1CCC2)(F)F	EMOLS-id_318185343,MCULE-6851556296	296.291	DFPUPIYJAYDYSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056162
FC(C(c1ccccc1)NCc1nnc2n1CCC2)(F)F	EMOLS-id_318471858,MCULE-3635627319	296.291	QKCAVMODMOGNJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056163
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)F)F	PC-id_104287565	296.293	GAOYDZBRNLDNRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056164
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1F)F	PC-id_104287618	296.293	MIBAHUQEILAMTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056165
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1F)F	PC-id_104288071	296.293	AXOJWHCLYBXFIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056166
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)ccc1F	PC-id_104287530	296.293	SPBMLTNWHUDKSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056167
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)cc(c1)F	PC-id_104287641	296.293	KWRULPZVXJJHJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056168
OC(=O)C1CCc2c1nc(s2)Nc1c(F)cccc1F	PC-id_104287688	296.293	JVUGPDALPSPNNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056169
s1c2CCCc2nc1Nc1c(F)cc(cc1F)C(=O)O	PC-id_63185187	296.293	MWOXVJFGDQBFAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056170
[C@H](O)(C(=O)Nc1sc2CCCc2c1C#N)[C@@H](O)C(=O)O	MCULE-7723264550,EMOLS-id_327927307	296.299	INVCAGAMBSJSAC-RKDXNWHRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056171
O=C(c1ncoc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389627	296.302	BLVCYYJUQOBOEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056172
O=C(c1ocnc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466214	296.302	NAWNHPVZKXOLFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056173
Cn1cnc(n1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112048289	296.306	FVJTUFYDNPUHJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056174
Cn1ncc(n1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110844783	296.306	PWILEBJEKSFJSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056175
Cn1nnc(c1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111958006	296.306	XGJVGROATOEYMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056176
O=C(c1cnnn1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110495703	296.306	NUEPBNKZPYOHCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056177
O=C(c1ccccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_114971317	296.307	QWAONFCOIFTMSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056178
O=C(c1sc2c(c1)CCC2)c1cccc(c1)C(F)(F)F	PC-id_114970251	296.307	DNPIXMVXNGJHKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056179
O=C(c1sc2c(c1)CCC2)c1ccc(cc1)C(F)(F)F	PC-id_114970712	296.307	DIMNJARZNVVDQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056180
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OC	PC-id_7175719	296.319	QHJPFVCKBIQIHJ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-056181
Fc1cncc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320193611,MCULE-6787701257	296.321	MQTUELVZSGCMGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056182
O=C(/C=C/c1c(C(=O)O)[nH]c2c1CCC2)Nc1ccccc1	CHEMBL165463,PC-id_10637677	296.321	YNVOAIBGYKSYTI-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056183
OC(=O)c1[nH]c2c(CCC2)c1C=CC(=O)Nc1ccccc1	PC-id_54518123	296.321	YNVOAIBGYKSYTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056184
Cc1c2n(CCO2)nc1C(=O)NCCC(=O)NCCOC	PC-id_91959938	296.322	KMPUASDPNDXONP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056185
CC(CCOCn1nc2c(c1C(=O)N)CN(C2)C(=O)O)C	PC-id_122509488,SCHEMBL18040464	296.322	DHQYEUDPZRYOLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056186
CC(C(=O)OC(C)(C)C)OC(=O)N1Cc2c(C1)c([nH]n2)N	PC-id_69781569,SCHEMBL6440181	296.322	OADAVPYKTNKDIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056187
CCOC(=O)C1N(Cc2c1[nH]nc2N)C(=O)OC(C)(C)C	SCHEMBL6440183,PC-id_69781570	296.322	UFCIAFVEEVYNCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056188
CCOC(=O)n1nc2c(c1NC(=O)COC)CNC2(C)C	PC-id_58015691,SCHEMBL1204640	296.322	AXGOCISSHHCXND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056189
CCOC(=O)n1nc(N)c2c1CN(C(=O)OC(C)(C)C)C2	SCHEMBL1370694,MCULE-3699479168,EMOLS-id_23840019,PC-id_6919045,ZINC22_2966,CT-id_2230134	296.322	VUWAGENLXQIUJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056190
CCOC(=O)Nc1n(C(=O)OCC)nc2c1CNC2(C)C	MCULE-9793912623	296.322	UWZODGRJPDEZRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056191
CCOC(=O)Nc1nn(c2c1CNC2(C)C)C(=O)OCC	SCHEMBL596324,PC-id_59333908	296.322	QNRURTRZXGKEBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056192
CCOC(=O)Nc1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2	PC-id_53487551,EMOLS-id_28302537,MCULE-1409358915,ZINC22_44138099	296.322	HWHKPGOWYLWYKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056193
COC(=O)c1c(NC(=O)N(CC(O)C)C)nc2n1CCC2	EMOLS-id_319691657	296.322	QGFHNAFSNLYKMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056194
COc1cc(ccc1C#N)C(=O)NCc1cnc2n1CCC2	MCULE-1045751104,EMOLS-id_319906852	296.324	DHKYSAAZNLCFQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056195
COc1cc(ccc1C#N)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319618952	296.324	BURUWNUVQURLLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056196
COc1ccc(cc1)NC(=O)c1c(N)c(c2n1CCC2)C#N	CoCoCo_5763402,PC-id_393844,NSC696771	296.324	ZHJZRCUNYYWUTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056197
COc1cc(C#N)ccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319160734	296.324	JJZAXCMLZZTHOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056198
COc1cc(C#N)ccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320271763,MCULE-3861178497	296.324	YWEVAHSOBQCYDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056199
N#Cc1ccc(cc1)OCC(=O)NCc1cnc2n1CCC2	EMOLS-id_319059170	296.324	XCWUVHYXEUDCBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056200
N#Cc1ccccc1OCC(=O)NCc1cnc2n1CCC2	EMOLS-id_319462593	296.324	QXYPIOTUBVGUFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056201
N#Cc1ccccc1OCC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319435372	296.324	VXWJONFBMSIBDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056202
O=C(C1CC1)Nc1ccccc1C(=O)N1CCn2c1ccn2	EMOLS-id_318746173	296.324	AUVWPVDTPHVCIX-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056203
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2ccccc2)C1)C	PC-id_68441145,SCHEMBL2919998	296.324	DOXILXYIXJDABD-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056204
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccccc2)C1)C	PC-id_68441146,SCHEMBL2920001	296.324	DOXILXYIXJDABD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056205
O=C(n1nc(NC(=O)c2ccccc2)c2c1CNC2)C1CC1	PC-id_71477261	296.324	PXTUXVWSMRMOMD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056206
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)/C=Cc1ccccc1	SCHEMBL2925927	296.324	DOXILXYIXJDABD-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056207
Cc1ccc(C#N)cc1NC(=O)NCc1nnc2n1CCC2	MCULE-7839720342,EMOLS-id_36286678,PC-id_53570467,ZINC22_58453181	296.327	JCJVCWWATSCGCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056208
Cn1cnc(n1)c1cccc(c1)OCc1nnc2n1CCC2	EMOLS-id_319610324	296.327	REFNQWUAZBBTJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056209
Cn1cnc(n1)c1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_320039268,MCULE-8318123635	296.327	INTHYZWIJIMQIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056210
Cn1ncc(c1)c1ccc(cn1)OCc1nnc2n1CCC2	EMOLS-id_319242531	296.327	UKPGNHDHIVDLFA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-056211
Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccc[nH]1)C2	PC-id_97405327,ZINC22_96084501,EMOLS-id_46182009	296.327	DPKLCBJEEPVFGY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-056212
Cn1ncnc1c1ccc(cc1)OCc1nnc2n1CCC2	MCULE-9295525535,EMOLS-id_320089735	296.327	UBFRZZFJAVTWLL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056213
CN(Cc1nnc2n1CCC2)C(=O)Nc1ccc(C#N)cc1	MCULE-6165402884,PC-id_38882610,EMOLS-id_48212555,ZINC22_31660311	296.327	GVNDEMYBCZEAQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056214
N#Cc1cc(cc(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319615173	296.327	NYNQBPIQAUGVBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056215
N#Cc1cccc(c1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319699105	296.327	WOIBYRIWRAKTPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056216
N#Cc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319675384	296.327	LLIWRYMOJHXKNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056217
N#Cc1ccc(nc1)NCC(=O)NCc1cnc2n1CCC2	EMOLS-id_320179509,MCULE-1647119755	296.327	JNYOMTGLLVANDQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056218
O=c1nc(Cc2ccccc2)[nH]n1Cc1nnc2n1CCC2	ZINC22_1875281100	296.327	PKUCLTPYMDKLLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056219
Cc1nnc2CC(CNc3nnnn3c3ccccc3)Cn12	PC-id_137343935,EMOLS-id_317477751,MCULE-3019390334	296.33	PBMXNFZMOHEICU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056220
Cc1nnc2n1C[C@@H](CN=c1nn[nH]n1c1ccccc1)C2	ZINC22_1772703635	296.33	PBMXNFZMOHEICU-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056221
Cc1nnc2n1C[C@H](CN=c1nn[nH]n1c1ccccc1)C2	ZINC22_1772703641	296.33	PBMXNFZMOHEICU-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-056222
s1c2c(CCC2)cc1C(O)c1c(F)cc(OC)cc1F	PC-id_61099093	296.332	LKXMDJGKBCYGRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056223
COc1cc(F)c(cc1NCc1sc2c(n1)CCC2)F	EMOLS-id_318057442,MCULE-1902827071	296.336	RAGOOYIGFHPWLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056224
COc1c(NCc2sc3c(n2)CCC3)cc(cc1F)F	EMOLS-id_318657961,MCULE-3983429512	296.336	WKPAPZKPRUOYAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056225
s1c2CCCc2nc1C(N)c1ccc(OC(F)F)cc1	PC-id_61330897	296.336	FBYFUYOIUQRYOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056226
s1c2CCCc2nc1C(N)c1c(OC(F)F)cccc1	PC-id_61330892	296.336	YDKUSLLXSFPHOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056227
CN(C)C1(CCCC1)CNC(=O)c1nn2CCOc2c1F	PC-id_91960082	296.341	HIJPZUTUXTXDIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056228
c1(NC(=O)CCC(=O)OC)sc2c(CCC2)c1C(=O)N	PC-id_84414731,EMOLS-id_181348263,MCULE-3322877021	296.342	RPBCRHJFHOMNBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056229
c1(NC(=O)C(=O)NC(C)C)sc2c(CCC2)c1C(=O)O	MCULE-3056922283,EMOLS-id_4733761,PC-id_8029771,ZINC22_6661387,STOCK6S-06081	296.342	TXWVOXVEEQGVER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056230
c1(NC(=O)C)sc2c(CCC2)c1C(=O)NCCC(=O)O	MCULE-6280646475,PC-id_82033580	296.342	RMMKHARJZXHHBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056231
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N1CCOCC1	ZINC22_6719863,EMOLS-id_4741141,MCULE-9238445360,PC-id_8057245,STOCK6S-11015	296.342	CVLMPASSIGMAAU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056232
CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2	PC-id_4274234,MCULE-3305907281,ZINC22_4581474,EMOLS-id_31833175	296.342	ACVOCNMLPLZPRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056233
CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2	PC-id_7291902,ZINC22_4581489	296.342	ZEKAXCXMCSGJHK-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056234
CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2	ZINC22_4581490,PC-id_7291903	296.342	ZEKAXCXMCSGJHK-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056235
CNC(=O)NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	MCULE-7656965334,EMOLS-id_31833177,PC-id_16505624	296.342	ZEKAXCXMCSGJHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056236
s1c2CCCc2cc1C(=O)NC(CCC(=O)N)C(=O)O	PC-id_43176081	296.342	OCFNBGKLAUNWGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056237
s1c2CCCc2cc1C(=O)N[C@@H](CCC(=O)N)C(=O)O	PC-id_28156500	296.342	OCFNBGKLAUNWGF-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056238
s1c2c(CCC2)c(c1NC(=O)CC)C(=O)NC(=O)OC	PC-id_7521463	296.342	SGTXYAKJNHTBRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056239
s1c2c(CCC2)c(c1NC(=O)CCNC(=O)C)C(=O)O	PC-id_43359868	296.342	BODHXRKGVDTPNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056240
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(=O)OCC	PC-id_7521510	296.342	QATGJPOYGANSAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056241
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)C)C)C(=O)N	PC-id_8361005	296.342	UHDSMRBAQFBMRU-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-056242
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)C)C)C(=O)N	PC-id_8361006	296.342	UHDSMRBAQFBMRU-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056243
s1c2c(CCC2)c(c1NC(=O)CN(C)C(=O)C)C(=O)O	PC-id_43359880	296.342	YFMXISKPFLSORZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056244
s1c2c(CCC2)c(c1NC(=O)C(NC(=O)C)C)C(=O)O	PC-id_43359869	296.342	PHURTOJZJIEEKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056245
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC)C(=O)N	PC-id_7860290	296.342	LGTGHVOCKBDRPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056246
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C)C)C(=O)N	PC-id_78675424	296.342	UHDSMRBAQFBMRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056247
s1c2c(CCC2)c(c1NC(=O)NC1CCOC1)C(=O)O	PC-id_80255215	296.342	PZNHQENQRIBMMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056248
s1c2c(C(CC2=O)Cc2oc(nn2)c2ccccc2)cc1	PC-id_21781773	296.344	UZMGQZVXECTTGR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056249
CC1CC(c2n1ccn2)NS(=O)(=O)c1c(C)noc1C	EMOLS-id_101320532	296.345	NEEFIHSUPYFYTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056250
CCc1noc(c1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100972117	296.345	FUSUGQGZVXARBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056251
CCc1onc(c1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100962135	296.345	MMRUFBRRBMJYOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056252
CC(c1onc(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97700120	296.345	XMMCSSPDJDCOQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056253
Cn1nc2c(c1NS(=O)(=O)c1c(C)noc1C)CCC2	EMOLS-id_98228447	296.345	ATCKPYNEEOCYCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056254
O=C1CN(CN1C1CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101249098	296.345	IAFOFOTVPOLYLR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-056255
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1cncnc1	MCULE-3256138526	296.347	DOPTXTSTRZPFRO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056256
N1(Cc2c(nc(N)s2)C1)C(=O)C(=Cc1ccccc1)C#N	MCULE-3199253413,PC-id_82194228	296.347	WAUFSFPTLABRFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056257
N#Cc1c(NC(=O)c2ccc(cc2)C=C)nc2n1CCS2	EMOLS-id_318626310	296.347	WBXDQNPSKOYZJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056258
O=C(Nc1sc2CCCc2c1C#N)/C=C/c1cncnc1	EMOLS-id_328126153	296.347	DOPTXTSTRZPFRO-SNAWJCMRSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056259
s1c2CNCc2nc1NC(=O)C(=Cc1ccccc1)C#N	PC-id_82194117	296.347	RTUVGTZLEWESMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056260
CC(c1ncnn1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100170437	296.349	LYPIRZDUADNVDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056261
CC(c1nncn1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184331	296.349	SNJAMMBUKTYQHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056262
CC(c1nnc([nH]1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98583142	296.349	FCRYFHOYKWZLHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056263
CCn1ncc(n1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319410655	296.349	TXVVDLNCSSQGRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056264
CCn1ncc(n1)S(=O)(=O)NCc1cc2n(n1)CCC2	EMOLS-id_318862278	296.349	YMQUUCOVJOLEPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056265
Cn1cnc(n1)C(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101033797	296.349	OGAVEQXYRGBZLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056266
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c([nH]nc1)C	PC-id_60959712	296.349	RLDUVOVKVUOSNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056267
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1c([nH]nc1)C	PC-id_61275022	296.349	CCGYYRYHUIXTGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056268
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1[nH]c(nc1)C	PC-id_64149668	296.349	CZALAYJYHHLCIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056269
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1[nH]c(nc1)C	PC-id_64152698	296.349	JYXAQASUFSKMMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056270
FC[C@@H]1C[C@H]1NC(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318861010	296.36	AAYNYPQSQGWXBR-VHSXEESVSA-N	00100010100000000000000010000000000000000000000000000000	25-01-056271
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2C2CC2)n1	EMOLS-id_330986228,MCULE-2844853122	296.364	RVMWADJFYROZSL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056272
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(c2)C2CC2)n1	MCULE-8318689717,EMOLS-id_330989556	296.364	UBOWOXPPQVWIDY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056273
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1C1CC1	EMOLS-id_330969264,MCULE-6945045266	296.364	GRHDQLHIBWTOIN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056274
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(c1)C1CC1	MCULE-8656813841,EMOLS-id_330972592	296.364	PDNLVQXJJPEASM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056275
CC1CCc2c1c(C=O)nn2Cc1cccc(OC2CC2)c1	MCULE-6638851479,EMOLS-id_331003377	296.364	OXTLMIGSVRUQLZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056276
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(C=O)c12	MCULE-4343740305,EMOLS-id_330983100	296.364	UGRPCXWWNBUSFZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056277
O=C(NCCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_86065772	296.364	DQRBTGMBEMRQRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056278
N#Cc1c(NC(=O)CSCC(=O)O)sc2c1CCC2	PC-id_112682867	296.365	RLJHNPQDUAWCEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056279
s1c2c(CCC2)c(c1NC(=O)CSCC#N)C(=O)O	PC-id_43359890	296.365	GLVORZKUFMPQGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056280
s1c2CCCc2nc1NS(=O)(=O)c1ccc(O)cc1	PC-id_61511979	296.365	YGROVTUVSUARGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056281
s1c2CCCc2nc1NS(=O)(=O)c1cc(O)ccc1	PC-id_81258643	296.365	CAWXJSFFJGGDSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056282
s1c2CCCc2nc1NS(=O)(=O)c1c(O)cccc1	PC-id_81241795	296.365	CJIDCHGYSKTCMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056283
c1(c2CCCc2[nH]n1)C(=O)N1CCCC[C@H]1c1cccnc1	STOCK1N-87670,MCULE-9061615483,EMOLS-id_50595010,PC-id_100004856	296.367	KOTKCADYCFPKDE-HNNXBMFYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-056284
c1(c2CCCc2n[nH]1)C(=O)N1CCCCC1c1cccnc1	PC-id_122169615,EMOLS-id_317497894,MCULE-8696859189,CNP0407120	296.367	KOTKCADYCFPKDE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-056285
C1CC1C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91012739	296.367	DWOIOCORHMATBS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056286
C1Cc2c(C(=O)NN=Cc3ccc(C(C)C)cc3)n[nH]c2C1	PC-id_3831374,MCULE-7295649515	296.367	XWSTYNVLHGPXKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056287
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)c1ccccc1	MCULE-7000554233,EMOLS-id_321297877	296.367	AYFGYYXGNSEMJA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056288
c1(C(=O)N2CCN(CC2)c2ccccc2)c2CCCc2[nH]n1	MCULE-1161154573,PC-id_110388846,EMOLS-id_179744616	296.367	MAOVBCYVHJHGBF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056289
c1(C(=O)Nc2ccc(cc2)N2CCCC2)c2CCCc2[nH]n1	EMOLS-id_179744870,MCULE-5018570952,PC-id_110388934	296.367	OAILUGKRKLBSEI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056290
c1(C(=O)Nc2ccc(cc2)N2CCCC2)cn2c(CCC2)n1	MCULE-7140310222,EMOLS-id_321295836	296.367	FASJTGNRXYPWIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056291
Cc1ccc(cc1)C1=NOC(C1)CNC1CCn2c1ncc2	EMOLS-id_318504282,MCULE-5791163021	296.367	XVYLOSYQHMOGQB-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-056292
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1nnc2n1CCC2	PC-id_96327751,ZINC22_76956411	296.367	JFQFSEQESDVZLB-KBPBESRZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056293
Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1nnc2n1CCC2	PC-id_96327752,ZINC22_76956412	296.367	JFQFSEQESDVZLB-KGLIPLIRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056294
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1nnc2n1CCC2	PC-id_96327753,ZINC22_76956413	296.367	JFQFSEQESDVZLB-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056295
Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1nnc2n1CCC2	ZINC22_76956414,PC-id_96327754	296.367	JFQFSEQESDVZLB-ZIAGYGMSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056296
Cc1ccc(cc1)N1CCC(C1=O)NC1CCn2c1ncc2	MCULE-7347584503,EMOLS-id_318451344	296.367	SUBYNPBUJGBVLW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056297
Cc1ccc(c(n1)C1CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318688038	296.367	IYCHIUKXIXGCCL-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-056298
Cc1ccc(c(n1)C1CC1)C(=O)NCc1cnc2n1CCC2	MCULE-6806458842,EMOLS-id_320120765	296.367	YVFBXKZKKYEORI-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-056299
CC1CC(C(=O)N1c1ccccc1)NC1CCn2c1ncc2	EMOLS-id_318363707,MCULE-5952298670	296.367	QQPBUUYEWMDOEQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056300
CCc1ccc(cc1)/C=CC(=O)NCc1nnc2n1CCC2	CoCoCo_4658153	296.367	ADRMHHVNBOBXJB-KTKRTIGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056301
CCc1ccc(cc1)C=CC(=O)NCc1nnc2n1CCC2	PC-id_72055515,MCULE-1786930945,EMOLS-id_26236770	296.367	ADRMHHVNBOBXJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056302
CCc1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)cc1	PC-id_40143082,CoCoCo_4658152,ZINC22_32906570	296.367	ADRMHHVNBOBXJB-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056303
C=CCCC(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1	PC-id_99829822,MCULE-4146205081,ZINC22_190072474,EMOLS-id_53797737	296.367	WLLGEFUSPZORCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056304
CN(Cc1nnc2n1CCC2)C(=O)C1(c2ccccc2)CC1	ZINC22_40523051,PC-id_45819273,MCULE-8727362452,EMOLS-id_31936736,CoCoCo_4880104	296.367	NRJRHGHHXXLSBN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056305
N[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_302451859,MCULE-6848901973,PC-id_120749584	296.367	YPDCQMDAEZUQAW-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056306
O=C1CCCCN1c1cccc(c1)NC1CCn2c1ncc2	EMOLS-id_318102933	296.367	FVHXWFVEKRTSJQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056307
O=C1CCCN1c1ccc(cc1)CNC1CCn2c1ncc2	EMOLS-id_318380164,MCULE-9029183015	296.367	WTASEASTINSENK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056308
O=C1CCCN1c1ccc(cc1C)NC1CCn2c1ncc2	EMOLS-id_318549733	296.367	PBHGDZKKTVJTCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056309
O=C1CC(CN1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318102673	296.367	JAVMJJAUSXRXHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056310
O=C1CCCN1c1cccc(c1)NC1CC(n2c1ncc2)C	EMOLS-id_318304349	296.367	XEVURXLOGAMSRS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056311
O=C1CCCN1c1cccc(c1)NCc1cnc2n1CCC2	EMOLS-id_318105167,MCULE-5076856552	296.367	CQVNJCPDUXBLHG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056312
O=C1CC(CN1c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318106447,MCULE-8473202060	296.367	XPBZLQFQPMIPPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056313
O=C1CCCN1c1ccc(cc1)NCc1cnc2n1CCC2	EMOLS-id_318222536,MCULE-5278818737	296.367	KHYRLBOTTSHJEG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056314
O=C1CC(CN1Cc1ccccc1)NC1CCn2c1ncc2	MCULE-7305289461,EMOLS-id_318491092	296.367	UYKUTJHNHKQHRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056315
O=C1NCC(N(C1)Cc1nn2c(c1)CCC2)c1ccccc1	EMOLS-id_318504894,MCULE-2183665496	296.367	KOOKFLZXLRLKRQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056316
O=C(C1(CC1)c1ccccc1C)NCc1nnc2n1CCC2	EMOLS-id_318504041	296.367	TZNQRZJKDMTYRI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056317
O=C(C1NCc2c1c[nH]n2)NCCC1(CC1)c1ccccc1	EMOLS-id_319671117	296.367	MZNSGBSHZMRXLK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056340
O=C(C1CC1c1ccccc1C)NCc1nnc2n1CCC2	PC-id_71930087,EMOLS-id_45652347,MCULE-5663113537	296.367	JFQFSEQESDVZLB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056318
O=C(C1(CC1)Nc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318889569	296.367	ARLUEALHKZYIIF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056319
O=C(C1CC1)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68441609,SCHEMBL2921513	296.367	ZLQVPILVNJGTQI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056320
O=C(C1CC1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2921516,PC-id_68441611	296.367	FVKCOORXUMYINI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056321
O=C(C1(CCC1)c1ccncc1)NCc1cnc2n1CCC2	EMOLS-id_319555948	296.367	GOEHJKYMYWCQID-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-056322
O=C(c1ccc(nc1C)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318511102	296.367	XLGJQILSSKOPHK-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-056323
O=C(c1ccc(nc1C)C1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_318719937	296.367	OAODTORLATUGAS-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-056324
O=C(c1ccc(nc1C)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318879334	296.367	XRIJXBQEDPUADY-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-056325
O=C(c1cn2c(n1)CCC2)N[C@@H]1CNC[C@H]1c1ccccc1	EMOLS-id_316617553	296.367	KUEXLUZEMDZTLI-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056326
O=C(c1cnc2n1CCC2)N1CCC(C1)Nc1ccccc1	MCULE-7429224886,EMOLS-id_318733698	296.367	MKAVMAPZQUQNDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056327
O=C(c1cnc2n1CCC2)Nc1cccc(c1)N1CCCC1	EMOLS-id_318441771	296.367	PCYZWCUXMPFBPG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056328
O=C(c1cnc2n1CCC2)Nc1ccccc1N1CCCC1	EMOLS-id_318496633	296.367	WFJXIZCFROUGAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056329
O=C(c1cnn2c1CCC2)N1CC(C1c1ccncc1)(C)C	MCULE-9517221594,EMOLS-id_101299491	296.367	UPWKOTDZPSPBDM-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-056330
O=C(c1cnn2c1CCC2)N1CCC(C1)Nc1ccccc1	EMOLS-id_318704272,MCULE-7973131652	296.367	RSAGQAHUKMYIJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056331
O=C(c1cnn2c1CCC2)N1CCNC(C1)c1ccccc1	EMOLS-id_101506821	296.367	AIZZGVNIOUQCFU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056332
O=C(c1cnn2c1CCC2)N1CCNCC1c1ccccc1	EMOLS-id_102113316,MCULE-9653751342	296.367	MGFRGQFSGZZPBI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056333
O=C(c1cnn2c1CCC2)N1CCNC[C@H]1c1ccccc1	ZINC22_333279882	296.367	MGFRGQFSGZZPBI-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056334
O=C(c1cnn2c1CCC2)N1CCNC[C@@H]1c1ccccc1	ZINC22_333279883	296.367	MGFRGQFSGZZPBI-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056335
O=C(c1cnn2c1CCC2)Nc1ccccc1N1CCCC1	EMOLS-id_318560336	296.367	LMBZESJEZRXZLO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056336
O=C(c1cnn2c1CCC2)Nc1cccc(c1)N1CCCC1	EMOLS-id_318660677	296.367	NPBHNBLWPABLTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056337
O=C(C1NCc2c1c[nH]n2)N(CC1(CC1)c1ccccc1)C	EMOLS-id_319738787	296.367	IFHHNDCGYGDDAN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056338
O=C(C1NCc2c1c[nH]n2)NCC1(CC1)c1ccccc1C	EMOLS-id_319804310	296.367	UVPYUPNOXSCRSS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056339
O=C(C1NCc2c1c[nH]n2)N[C@H]1[C@@H](C1(C)C)c1ccccc1	EMOLS-id_318953094	296.367	CJUXDQNYZNHJBD-LWEDLAQUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056341
O=C(c1n(C)nc2c1CCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_318599272	296.367	LLAYEERZTQQUBD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-056342
O=C(c1nn2c(c1)CCC2)N1CCC(C1)Nc1ccccc1	MCULE-8363894907,EMOLS-id_318665404	296.367	NNSFHYIDIYDPCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056343
O=C(c1nn2c(c1)CCC2)N1CCNC(C1)c1ccccc1	EMOLS-id_101506818	296.367	XCLDMQLOXQPDGH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056344
O=C(c1nn2c(c1)CCC2)Nc1ccccc1N1CCCC1	EMOLS-id_318399938	296.367	DSOWXLUYGULOQN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056345
O=C(c1nn2c(c1)CCC2)Nc1cccc(c1)N1CCCC1	EMOLS-id_318468926	296.367	SSSQVDGZSJPVEI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056346
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1c1cccnc1	ZINC22_247856203	296.367	KOTKCADYCFPKDE-OAHLLOKOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-056347
O=C(c1n[nH]c2c1CCC2)N1CCNC(C1)c1ccccc1	EMOLS-id_101504730	296.367	VNLOCQGATQGXMW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056348
O=C(c1n[nH]c2c1CCC2)Nc1ccccc1N1CCCC1	EMOLS-id_98016417	296.367	DWWHVXASYOYTPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056349
O=C(c1n[nH]c2c1CCC2)N[C@@H]1CNC[C@H]1c1ccccc1	EMOLS-id_316376041,MCULE-7577909760	296.367	LVJRCBMUBZBNMM-DZGCQCFKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056350
O=C(c1n[nH]c2c1CN(C2)Cc1ccccc1)N1CCCC1	PC-id_97408301	296.367	PZIMJFMINLLPJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056351
O=C(c1n[nH]c2c1CNC2)N1CCC(CC1)c1ccccc1	SCHEMBL17223045,PC-id_118483525	296.367	NVEGUEMSEZLCSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056352
O=C([C@@H]1CNC[C@H]1Cc1ccccc1)N1Cc2c[nH]nc2C1	ZINC22_1875315004	296.367	DRWFXFQHEVOTHV-UKRRQHHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056353
O=C(N1Cc2c(C1)c(nn2C)C)N[C@@H]1C[C@H]1c1ccccc1	PC-id_140552946	296.367	CHXAWXWZEOQPJH-DZGCQCFKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056354
O=C(N1CCC1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101436651	296.367	ZWUWYBREIZUEMI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-056355
O=C(N1CCCCC1c1ncccn1)c1[nH]c2c(c1)CCC2	EMOLS-id_319096390	296.367	YYJLNGUXIUOGCO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-056356
O=C(NCc1nnc2n1CCC2)C1(c2ccccc2)CCC1	PC-id_34240976,MCULE-3307662572,CoCoCo_4687744,EMOLS-id_30001163,ZINC22_26948656	296.367	OMYDKVAGBKROCZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-056357
O=C(N/N=C/c1ccc(C(C)C)cc1)c1n[nH]c2CCCc12	PC-id_9638074	296.367	XWSTYNVLHGPXKP-VCHYOVAHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056358
Nc1cccnc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_103305510	296.369	QBSZIHZQSLMKJY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056359
Nc1nc2n(n1)C(CS2)CS(=O)(=O)c1ccccc1	PC-id_16484742,SPECS-id_AP-853/J241595	296.369	HSTJXRJZHMQBGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056360
Nc1nc2n(n1)[C@@H](CS2)CS(=O)(=O)c1ccccc1	CoCoCo_6360178,PC-id_41145439	296.369	HSTJXRJZHMQBGU-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056361
Nc1nc2n(n1)[C@H](CS2)CS(=O)(=O)c1ccccc1	GD-id_ZINC09614824,PC-id_41145440,CoCoCo_6360179	296.369	HSTJXRJZHMQBGU-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056362
s1c2CCCc2nc1NS(=O)(=O)c1ccc(nc1)N	PC-id_62152744	296.369	RLXBQRRZGHGGHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056363
s1c2CCCc2nc1NS(=O)(=O)c1cc(ncc1)N	PC-id_62152922	296.369	GVUHIFPFVKKMIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056364
s1c2CCCc2nc1NS(=O)(=O)c1c(nccc1)N	PC-id_55042989	296.369	XMXZSRYGOHWYRR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056365
s1c2CCCc2nc1NS(=O)(=O)c1c(N)ccnc1	PC-id_64278123	296.369	JTNHPZGKEGYERH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056366
S1Cc2c(noc2NC(=O)c2snnc2CCC)C1	PC-id_49720059	296.369	SVXGVDFRSHQVON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056367
CCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C)C)CC	PC-id_102010491	296.37	XIJTZAZVYGWZTF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-056368
N(c1ccc(/N=C/c3n(N=C2C)c(nn3)C)cc1)(CC)CC	PC-id_20701607	296.37	YGONQCGOPRUZEC-BMRADRMJSA-N	00000011100000110001000010000000000000000000000000000000	25-01-056369
N#Cc1ccc(nc1NCc1nnc2n1CCC2)C(C)(C)C	EMOLS-id_318415217,MCULE-4846975862	296.37	VYHJTYOQUVYOMR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056370
N#Cc1c(nnc(c1CC)CC)NC1CC(n2c1ncc2)C	EMOLS-id_318612613,MCULE-8084480217	296.37	LBEDEJWKUKULIL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056371
COC(=O)C1(CC(=O)OC(C)(C)C)Cc2c(C1)csc2	PC-id_23358978,SCHEMBL8902403	296.382	VIUUBVOWFJPPBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056372
c1(NC(=O)NCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_19169964,MCULE-8088746599	296.385	MWCDKRITLWLMKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056373
CC(C1CCOCC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105811082	296.385	PPISTKGMAVOABM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056374
CCC1OCCC1CNc1nc2c(s1)CCC2C(=O)O	PC-id_105746814	296.385	ZZDDEGCIOHZZET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056375
CCC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)N	PC-id_107569397	296.385	UJMQLUJGDITYTQ-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-056376
CCC[C@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)N	PC-id_107569398	296.385	UJMQLUJGDITYTQ-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056377
CC(C)NC(=O)CNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956490	296.385	HUHHFTXSVDZQKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056378
CC(C(=O)Nc1sc2c(n1)CCC2)OCC1CCCO1	PC-id_47436505,EMOLS-id_33314687,MCULE-1693736863	296.385	YMCJLQLOUHJPJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056379
C[C@@H]1OCCO[C@@H]1C(=O)Nc1nc2c(s1)CCC2(C)C	ZINC22_823076750,EMOLS-id_316950192,MCULE-5409538696,PC-id_136586538	296.385	HYKCSHGWHMLHCR-WPRPVWTQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056380
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1nc2c(s1)CCC2	PC-id_94209473,ZINC22_49288413	296.385	YMCJLQLOUHJPJF-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056381
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nc2c(s1)CCC2	PC-id_94209474,ZINC22_49288416	296.385	YMCJLQLOUHJPJF-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056382
C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_49288407,PC-id_94209471	296.385	YMCJLQLOUHJPJF-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056383
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_49288410,PC-id_94209472	296.385	YMCJLQLOUHJPJF-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056384
CCN(c1nc2c(s1)CCC2C(=O)O)CC1CCCO1	PC-id_104288131	296.385	GFYFHYWQGVWAOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056385
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CN(C)C	MCULE-4637835776,PC-id_3818845,CoCoCo_679579,ZINC22_3684619,EMOLS-id_48931980	296.385	AHKCWBCTPZOQKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056386
CCOC(=O)C1CCc2c1nc(s2)NC1CC(C1)OC	PC-id_105856771	296.385	RSEQIDQBFDILKT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-056387
CCOC(=O)C1CCc2c1nc(s2)NC1CCCOC1	PC-id_104288797	296.385	KHCDWSUZCXTOGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056388
CCOC(=O)C1CCc2c1nc(s2)NC1CCOC1C	PC-id_104289183	296.385	UMVOMFARLDMHLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056389
CCOC(=O)C1CCc2c1nc(s2)NC1CCOCC1	PC-id_104288000	296.385	MZBALNGIOBCCGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056390
CCOC(=O)C1CCc2c1nc(s2)NC1(C)COCC1	PC-id_116165931	296.385	NDTWQIJGTGPXNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056391
CCOC(=O)C1CCc2c1nc(s2)N(C1COCC1)C	PC-id_104289189	296.385	WQVGLMLNSHQGNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056392
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCO1	PC-id_104287659	296.385	GCSMMOLYACKIDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056393
CCOC(=O)C1CCc2c1nc(s2)NCC1COCC1	PC-id_104288617	296.385	KLDCVBMVYCDCIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056394
CCOC(=O)c1c(NC(=O)C(N)CC)sc2CCCc12	PC-id_61258951,MCULE-2893202699,EMOLS-id_327894314	296.385	JCZCTUJEKYRPAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056395
CN(CCN(C(=O)c1sc2c(c1)CCC2)CC(=O)O)C	PC-id_103802824	296.385	BPRCXMMYIGETAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056396
CNC(=O)CC1CSc2n1cc(c2C(=O)OC(C)C)C	PC-id_19903339,SCHEMBL9038997	296.385	IIXQPUHNANAGGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056397
COC1CC(C1(C)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105856729	296.385	LXZWDFHXEQLXLY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-056398
COCCC1(CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105794881	296.385	PYDFIVYDYHPZHN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-056399
COC(=O)c1c(NC(=O)C(C(N)C)C)sc2c1CCC2	PC-id_104474510	296.385	NVWGTDRFRDUCIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056400
COC(=O)c1c(sc2c1CCC2)NC(=O)C(CN)(C)C	PC-id_115426643	296.385	JMCMDEDBQZLGSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056401
COC(=O)C(NC(=O)C)CNCc1sc2c(c1)CCC2	PC-id_103242954	296.385	ZTFXGQWNZBJCIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056402
OCC1(NCCOC1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_279015404	296.385	SRPOZUMMJOZLSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056403
O=C(c1occ2c1CCC2)NCCN=S1(=O)CCCC1	EMOLS-id_278433595	296.385	HHZUKUWCZCPRJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056404
OC(=O)C1CCc2c1nc(s2)NC1CCOC(C1)(C)C	PC-id_104289222	296.385	JXSCYQRXGLGBRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056405
OC(=O)C1CCc2c1nc(s2)N(CC1CCCCO1)C	PC-id_104288119	296.385	IIHMYHSOSYGHEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056406
OC(=O)C1CCc2c1nc(s2)N(CC1CCCOC1)C	PC-id_104288760	296.385	FODZSIAPMCDXPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056407
OC(=O)C1CCc2c1nc(s2)NCC1(C)CCOCC1	PC-id_105901186	296.385	ZEYRXPZIRROTPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056408
OC(=O)C1CCc2c1nc(s2)N(CC1CCOCC1)C	PC-id_104288758	296.385	ZHVHVOQTPSHMGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056409
OC(=O)C1CCc2c1nc(s2)NCCC1CCCCO1	PC-id_105997435	296.385	MPAGVHDNKWLDIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056410
OC(=O)C1CCc2c1nc(s2)NCCCOCC1CC1	PC-id_105685810	296.385	ZMNCRXHDJPLLOT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-056411
OC(=O)C1CCc2c1nc(s2)NCCOC1CCCC1	PC-id_104288788	296.385	NYUBFNSQGLMOGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056412
OC(=O)C1CCc2c1nc(s2)N(CCOCC1CC1)C	PC-id_104289086	296.385	FONZSEIJKFRCJC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-056413
O=C(OC(C)(C)C)CCC(=O)Nc1sc2c(n1)CCC2	PC-id_106707205	296.385	PQOQAEKGHKDLSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056414
s1c2c(CCC2)c(c1NC(=O)CCCCN)C(=O)OC	PC-id_64045362	296.385	UHVIVCXZLUZITR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056415
s1c2c(CCC2)c(c1NC(=O)C(CC)CN)C(=O)OC	PC-id_65229391	296.385	SARWMCOVIWIYRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056416
s1c2c(CCC2)c(c1NC(=O)CCCNC)C(=O)OC	PC-id_61252877	296.385	XGARXZUIPZPABN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056417
s1c2c(CCC2)c(c1NC(=O)CCC(N)C)C(=O)OC	PC-id_64090681	296.385	ZCQOLTWWVPNNLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056418
s1c2c(CCC2)c(c1NC(=O)C(CCN)C)C(=O)OC	PC-id_80543629	296.385	OKWDJERAROGUDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056419
s1c2c(CCC2)c(c1NC(=O)CC(CN)C)C(=O)OC	PC-id_81087049	296.385	JHDFCYIMFJBJEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056420
s1c2c(CCC2)c(c1NC(=O)CCCN)C(=O)OCC	PC-id_61258773	296.385	JYIXHGRHNFWWTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056421
s1c2c(CCC2)c(c1NC(=O)CCNCC)C(=O)OC	PC-id_62834800	296.385	NNQWPLWZBOZYDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056422
s1c2c(CCC2)c(c1NC(=O)CC(N)(C)C)C(=O)OC	PC-id_64677001	296.385	VEWXHLJAGODGEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056423
s1c2c(CCC2)c(c1NC(=O)C(CNC)C)C(=O)OC	PC-id_79203180	296.385	JBUCARZZHXUGME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056424
s1c2c(CCC2)c(c1NC(=O)CC(N)CC)C(=O)OC	PC-id_81976427	296.385	VYRQUZLFBWDCBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056425
s1c2c(CCC2)c(c1NC(=O)CC(N)C)C(=O)OCC	PC-id_61259131	296.385	JYEFFJRWIZBJJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056426
s1c2c(CCC2)c(c1NC(=O)CCNC)C(=O)OCC	PC-id_61713898	296.385	DTRSTABPTBWGFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056427
s1c2c(CCC2)c(c1NC(=O)C(CN)C)C(=O)OCC	PC-id_62671128	296.385	UYAXKLXBAOLJMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056428
BrCc1c(Br)sc2CNCc12	MCULE-1445544013,EMOLS-id_331064877	297.01	REZAJQRAXJFXTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056762
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)C(C)C)C(=O)OC	PC-id_61253666	296.385	MOQHYAIBLMAXSL-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-056429
s1c2c(CCC2)c(c1NC(=O)[C@H](N)C(C)C)C(=O)OC	PC-id_79013350	296.385	MOQHYAIBLMAXSL-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056430
s1c2c(CCC2)c(c1NC(=O)[C@H](N)CC)C(=O)OCC	PC-id_65808196	296.385	JCZCTUJEKYRPAV-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056431
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)CC)C(=O)OCC	PC-id_79022949	296.385	JCZCTUJEKYRPAV-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-056432
s1c2c(CCC2)c(c1NC(=O)CN(CC)CC)C(=O)O	PC-id_28866166	296.385	UUNSQMKDYZEXII-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056433
s1c2c(CCC2)c(c1NC(=O)CNC(C)C)C(=O)OC	PC-id_60641017	296.385	XYQLZCGYQVTLMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056434
s1c2c(CCC2)c(c1NC(=O)CNCCC)C(=O)OC	PC-id_60648298	296.385	VPSHNVNRNOMEPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056435
s1c2c(CCC2)c(c1NC(=O)C(N)C(C)C)C(=O)OC	PC-id_61252302	296.385	MOQHYAIBLMAXSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056436
s1c2c(CCC2)c(c1NC(=O)C(N)CCC)C(=O)OC	PC-id_61252681	296.385	UJMQLUJGDITYTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056437
s1c2c(CCC2)c(c1NC(=O)C(NC)(C)C)C(=O)OC	PC-id_62847839	296.385	XPEFHHATMARWFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056438
s1c2c(CCC2)c(c1NC(=O)C(N)(CC)C)C(=O)OC	PC-id_79805196	296.385	NAGHQONOJRIUHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056439
s1c2c(CCC2)c(c1NC(=O)CNCC)C(=O)OCC	PC-id_10379831	296.385	SZWSYZZVXXJJDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056440
s1c2c(CCC2)c(c1NC(=O)C(NC)C)C(=O)OCC	PC-id_60718930	296.385	JUSUMZMXSNCJHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056441
s1c2c(CCC2)c(c1NC(=O)C(N)(C)C)C(=O)OCC	PC-id_61266645	296.385	GOPCKFDVTUEJPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056442
s1c2CCCc2nc1NC(=O)CC(CC)(CC)C(=O)O	PC-id_61508552	296.385	NFNVDDNQWMFPQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056443
s1c2CCCc2nc1NC(=O)CC(C(C)C)(C)C(=O)O	PC-id_61508553	296.385	GGMICZWDPLFXIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056444
S1c2n(C(=CCONC)C1)cc(c2C(=O)OC(C)C)C	PC-id_85054727	296.385	AUFRBBQGSIVZBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056445
S1c2n(/C(=C/CONC)/C1)cc(c2C(=O)OC(C)C)C	PC-id_9860987	296.385	AUFRBBQGSIVZBN-VZUCSPMQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056446
S1CC(n2c1c(c(c2)C)C(=O)OC(C)C)C(C)C(=O)N	PC-id_57190246	296.385	HNLOJXIQQPFIJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056447
c1(NC(=O)c2ccc(cc2C)C)sc2c(CCC2)c1C#N	PC-id_953293,ZINC22_557965,BAS-07006446,MCULE-9988453869,EMOLS-id_1491467,CoCoCo_359950	296.387	QCYYQCMFMMBJLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056448
c1(NC(=O)c2ccc(cc2)CC)sc2c(CCC2)c1C#N	SPECS-id_AN-153/I280016,ZINC22_9142112,EMOLS-id_7827617,MCULE-7244001293,PC-id_17102702,CoCoCo_6449734	296.387	MMUNLSOGFIVXFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056449
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_5424224,PC-id_924842,ZINC22_514045,CoCoCo_4971152,CB6217976,MCULE-4583015978	296.387	MKJCQDJJXNLMOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056450
c1(NC(=O)c2cc(C)cc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_1505053,ZINC22_611772,PC-id_971827,MCULE-8873824782,CoCoCo_373597,BAS-08181960	296.387	DEHHJVFWDOLGBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056451
c1(NC(=O)Cc2ccccc2C)sc2c(CCC2)c1C#N	CoCoCo_1053248,PC-id_6470240,TIMTEC176762,ZINC22_6741687,MCULE-9241336742,EMOLS-id_2294993	296.387	GQXFQKAHZVCYTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056452
Cc1cc(c(c(c1)C=Nc1c(c2c(s1)CCC2)C#N)O)C	PC-id_136178183	296.387	CBGPKCKGJOVLAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056453
Cc1cccc(C)c1C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328139454,MCULE-7625721419	296.387	HXBOBSQZGWAHPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056454
Cc1ccc(C)c(c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-9998729920,EMOLS-id_328059868,PC-id_4983380	296.387	VUDHCWOQYMLTKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056455
Cc1ccc(CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-8928863957,EMOLS-id_327920886,PC-id_41616139	296.387	IUTMEHNSOYAFKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056456
CC(c1ccccc1)C(=O)Nc1c(C#N)c2c(CCC2)s1	SCHEMBL2644337,PC-id_11173979,EMOLS-id_327911676,MCULE-5029305692	296.387	HSHDZFMMLNJNIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056457
N#Cc1c(NC(=O)CCc2ccccc2)sc2c1CCC2	EMOLS-id_5429272,PC-id_4152586,CoCoCo_3268198,ZINC22_4078610,MCULE-7672784876	296.387	VXZXWDNETLNPBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056458
O=C(c1cc2c(s1)CNC2)N1CC=C(c2ccccc2)C1	ZINC22_1875330622	296.387	VMZMPNANWRHHMS-UHFFFAOYSA-N	00000011100000110000100010000000000000000000000000000000	25-01-056459
OC(c1ccnn1c1ccccc1)c1sc2c(c1)CCC2	PC-id_107332328	296.387	NRTCLGKZNSREEE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056460
O=C(N1CC2(c3c1cccc3)CC2)c1sc2c(n1)CCC2	MCULE-7021956465	296.387	VUGPMDZZSVQDOH-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-056461
s1c2c(CCC2)cc1C(O)c1cn(nc1)c1ccccc1	PC-id_61089156	296.387	FMGSIZFACSDSPB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056462
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C#CCN	PC-id_60802372	296.387	QXMPYUSRHGILAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056463
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C#CCN	PC-id_60802397	296.387	ZGPXVSXPVSTRGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056464
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C#CCN	PC-id_60803765	296.387	YQOUIAWFRYLTOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056465
s1c2CCCc2cc1C(=O)N(Cc1cc(ccc1)C#N)C	PC-id_32413436	296.387	VVYVMPBQOHQJJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056466
s1c2CCCc2cc1C(=O)N(CCC#N)c1ccccc1	PC-id_24704082	296.387	VCFWKCWUEKEIPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056467
s1c2CCCc2cc1C(=O)NN=CC=Cc1ccccc1	PC-id_85015452	296.387	YZIGZYHPFSZQIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056468
s1c2CCCc2c(c1N=Cc1ccc(OCC)cc1)C#N	PC-id_23903852	296.387	DPAJEDHDLDRJGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056469
s1c2CCCc2c(c1N/C=C
/C(=O)C(=CC(=C1)C)C)C#N	PC-id_50886141	296.387	GGEFNNUEOSXZRP-FMIVXFBMSA-N	00000010100011000000000010000000000000000000000000000000	25-01-056470
s1c2CCCc2c(c1NC=C1C(=O)C(=CC(=C1)C)C)C#N	PC-id_75574458	296.387	GGEFNNUEOSXZRP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-056471
s1c2CCCc2c(c1N=Cc1c(OCC)cccc1)C#N	PC-id_23933310	296.387	WRCWEPWWGDFAKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056472
O=C(c1cnn2c1CCC2)NCCN=S1(=O)CCCC1	EMOLS-id_278433658	296.388	JYSXZLACIUVORQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056473
O=C(NC1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99822946	296.388	RKXHGGVZLGCNIX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056474
O=S(=O)(c1cnc2n1CCC2)N1C2CCNCC1CC2	MCULE-2791363395,EMOLS-id_302862253,PC-id_120876218	296.388	HWLBVCDFXFYRHU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-056475
O=S(=O)(c1cnc2n1CCC2)N1CCC2NC(C1)CC2	MCULE-7761478346,EMOLS-id_302902950,PC-id_120875392	296.388	ZBHDTNPXHGUKKO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-056476
s1c2CCCc2nc1NC(=O)CNC(=O)[C@@H](N)C(C)C	PC-id_82962090	296.388	JALUARUNCZFBEM-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-056477
S1c2n(CC1)cc(n2)CNC(=O)CCN1OCCCC1	PC-id_46990424	296.388	IYYBKMZKNYKAAX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056478
S1Cc2c(nn(c2NC(=O)CC)CC(=O)NCCC)C1	PC-id_44052853	296.388	NRZVEYRWSWDWOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056479
c1(NC(=O)NCCN(C)C)sc2c(CCC2)c1C(=O)N	ZINC22_6669987,PC-id_8035126,MCULE-1251805952,EMOLS-id_4738528,STOCK6S-09238	296.389	OROKVLAFIUZZSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056480
CC(N1CCC(CC1)S(=O)(=O)n1cc2c(n1)CN=C2)C	PC-id_141414359	296.389	IJZBIOJNNHHDSZ-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-056481
CN1CCOCC1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_98422791	296.389	VDFYKBKFLDTNIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056482
COC1(C)CN(C1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99886763	296.389	ATHHZKGHFNASSS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-056483
Nc1c(=O)n2n(c1NCCC[N+]1(C)CCOCC1)CCC2	PC-id_70985681,SCHEMBL13745728	296.389	VHPVLRBPGBORIZ-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-056484
OC1CC(C1)N(C(=O)NCCc1nc2n(c1)CCS2)C	EMOLS-id_99912267	296.389	AJWFREFAZAHUBS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-056485
OC1CC(N(C1)C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_100015028	296.389	YCMVZQGNWFVALP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056486
O[C@H]1CCCN(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_100912680	296.389	LDOZVCJSFFVBRV-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-056487
O=S(=O)(C1C2C1CCCC2)NCc1nnc2n1CCC2	EMOLS-id_319668476	296.389	ZVXJJCFQFTYGQE-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-056488
O=S(=O)(c1cnc2n1CCC2)N(C1CC1)C1CCNC1	PC-id_120875619	296.389	BBFCFBCYANCJSO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-056489
c1cc(c2cn[nH]c2)ccc1NCc1nc2c(s1)CCC2	ZINC22_1875283988,PC-id_146145352	296.39	HVHGLELWLYXPEY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056490
c1cc(c2nccn2CCc2nc3c(s2)CCC3)ccn1	EMOLS-id_43578913,ZINC22_77408237,PC-id_70744640,MCULE-7971566802	296.39	OVMJSCVLIVXJJH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-056491
NC(c1cnnn1c1ccccc1)c1sc2c(c1)CCC2	PC-id_105043174	296.39	UXYMFJORULAPPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056492
s1c2CCCc2nc1C(N)c1cn(nc1)c1ccccc1	PC-id_61332467	296.39	MPCBLRVOEOBYHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056493
COc1ccc(cc1)Cc1c2CCCc2oc1C(=C(C)C)C	PC-id_101894020	296.403	IWNPOMCFPFTHRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056494
CC1CCc2c1c(C=O)nn2Cc1ccc(cc1)C(C)(C)C	MCULE-9862104204,EMOLS-id_330998015	296.407	QZPLJQTWEGTZLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056495
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(C=O)c12	EMOLS-id_330981818,MCULE-9161993790	296.407	KLYXDHNUCHHVNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056496
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1CO	EMOLS-id_330990012,MCULE-7101765890	296.407	DZWKWAMMGGVQEB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056497
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1CO	EMOLS-id_330991801,MCULE-3132994639	296.407	JEXBPZBGEDMODF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056498
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1CO	MCULE-8435068956,EMOLS-id_330992061	296.407	MVXGDPSOOHGHCT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056499
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1O	MCULE-6404479257,EMOLS-id_331006884	296.407	KXSQTCVKYDGTAG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-056500
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987955,MCULE-4021761667	296.407	CJIFAILKNKOIKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056501
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1C=O	MCULE-3224043963,EMOLS-id_330988211	296.407	DVPGLPMUFRFBLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056502
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330985654,MCULE-2713855602	296.407	CGIYOBJESLYTOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056503
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988467,MCULE-1578318044	296.407	RZJFDOJFSCIVMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056504
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988723,MCULE-1072753818	296.407	TVICGTFIQDZGPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056505
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1	EMOLS-id_330981562,MCULE-5800304005	296.407	VXXORCQXPDKDLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056506
CC(C)Cc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1	MCULE-4672910389,EMOLS-id_331001854	296.407	GGZCTJROQWUSFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056507
CCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328210814,MCULE-5022869983	296.407	LAHLZXGCHJUVPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056508
CCC(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328211326,MCULE-2727850081	296.407	JIVZUWFISMGLCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056509
CC(C)(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328214134,MCULE-1760017611	296.407	PFJSTMQOEXGXFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056510
CC(C)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2708366295,EMOLS-id_328210302	296.407	RQVJLBQVNWOHDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056511
CCN(CC)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338078,MCULE-5766376856	296.407	VWGCGYGXLWTNQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056512
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)C(C)C	EMOLS-id_186615008,MCULE-6111725509	296.408	QSVDDDBMXWAKAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056513
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCC	MCULE-6186998531,EMOLS-id_186612334	296.408	PNUHINCHQUIABQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056514
CCCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)N)CCC2	GD-id_ZINC06510557,PC-id_7987619	296.408	ACRQOCFVBPVKCX-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-056515
CC[NH+](CC(=O)NNC(=O)c1sc2c(c1)CCC2)CC	GD-id_ZINC49088674	296.408	TXGQLTNAEODASN-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-056516
s1c2c(CCC2)cc1C(=O)N1CC(OCC1)C(=S)N	PC-id_79674059	296.408	HDINXPRJASIWFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056517
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(CC)C)C(=O)N	PC-id_78555791	296.408	SIJDIPHWRQHCEW-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-056518
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](CC)C)C(=O)N	PC-id_7858511	296.408	SIJDIPHWRQHCEW-MRVPVSSYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-056519
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](CC)C)C(=O)N	PC-id_7858513	296.408	SIJDIPHWRQHCEW-QMMMGPOBSA-O	00000010100000000000000010000000000000000000000000000000	25-01-056520
s1c2c(CCC2)c(c1NC(=O)CSCC=C)C(=O)N	PC-id_4615873	296.408	SGRHKBBLMTVNQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056521
s1c2c(CCC2)c(c1NC(=S)NC1CC1)C(=O)OC	PC-id_8748224	296.408	WMQYAVKSAZSSKB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-056522
s1c2c(CCC2)c(c1NC(=S)NCC=C)C(=O)OC	PC-id_8748111	296.408	AQVFMULEBGMSIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056523
s1c2c(CCC2)c(c1NC(=S)NC=C)C(=O)OCC	PC-id_23733693	296.408	XKFLJBPQOKYYRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056524
s1c2CCCc2sc1=[S+]c1c([N+](=O)[O-])cccc1	PC-id_13319031	296.408	QCUJRVBXNXFMGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056525
s1c2c(CSC2)cc1C(=O)NC(=O)C1CCNCC1	PC-id_6619772	296.408	VPOAGYJRCWRYOC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-056526
c12CN(Cc1nn(CC1CC1)c2CNC)Cc1ccccc1	EMOLS-id_324353379,MCULE-3942099439	296.41	PAYPNLGGTRALIO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056527
c12CN(Cc1nn(CC1CCC1)c2CN)Cc1ccccc1	EMOLS-id_324350304,MCULE-6449606866	296.41	MOIFTORGJSPPTC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-056528
C1CC(C1)CC(c1ccccc1)NCc1nnc2n1CCC2	MCULE-8809345099,EMOLS-id_48758330,PC-id_75444911	296.41	DUJYQUWQPCVGNT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-056529
c1ccc(cc1)CN1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_317967164,MCULE-9984938784	296.41	MZXDAWPAMDNQSF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056530
c1ccc(cc1)N1CCCC(C1)CNC1CCn2c1ncc2	MCULE-5992952769,EMOLS-id_318102166	296.41	HFRIWMJPBVWKDM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056531
c1ccc(cc1)N1CCCC(C1)NCc1cnc2n1CCC2	MCULE-4897533152,EMOLS-id_318393348	296.41	QXWVMZUMTQBXTO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056532
C1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318199506,MCULE-2007310308	296.41	HFWDCYCCKGGBDD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056533
c1ccc(cc1)NC1CCCN(C1)Cc1cnc2n1CCC2	MCULE-6354452775,EMOLS-id_318119706	296.41	NBEIMAGYBHPQNC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056534
c1ccc(cc1)NC1CCCN(C1)Cc1nn2c(c1)CCC2	MCULE-8418098110,EMOLS-id_318005934	296.41	ZAAXORQFXMXQLH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056535
c1ccc(cc1)NC1CCN(CC1)Cc1cnc2n1CCC2	EMOLS-id_318616274,MCULE-6957571673	296.41	CTAGUCJDUXSWEC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056536
c1ccc(cc1)NC1CCN(CC1)Cc1nn2c(c1)CCC2	EMOLS-id_318614408,MCULE-9293990225	296.41	WWEDBOPTPDRRSO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056537
c1ccc(C[C@H]2Cc3nnc(CC4CCNCC4)n3C2)cc1	ZINC22_1857687930	296.41	LZWNJBIFHPKERB-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056538
c1ccc(C[C@@H]2Cc3nnc(CC4CCNCC4)n3C2)cc1	ZINC22_1857687931	296.41	LZWNJBIFHPKERB-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056539
c1ccc(C[C@H]2Cc3nnc(CN4CCCCC4)n3C2)cc1	ZINC22_1800414863	296.41	WXDDLQBZYHJVND-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056540
c1ccc(C[C@@H]2Cc3nnc(CN4CCCCC4)n3C2)cc1	ZINC22_1800414870	296.41	WXDDLQBZYHJVND-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056541
c1ccc([C@H](CC2CCC2)NCc2nnc3n2CCC3)cc1	PC-id_97336076,ZINC22_95987778	296.41	DUJYQUWQPCVGNT-INIZCTEOSA-N	00001010100000110001000010000000000000000000000000000000	25-01-056542
c1ccc([C@@H](CC2CCC2)NCc2nnc3n2CCC3)cc1	ZINC22_95987777,PC-id_97336075	296.41	DUJYQUWQPCVGNT-MRXNPFEDSA-N	00001010100000110001000010000000000000000000000000000000	25-01-056543
c1ccc(CN2CC[C@H](NCc3n[nH]c4c3CCC4)C2)cc1	PC-id_95205183,ZINC22_67723840	296.41	OKQAUEOEPQIKAO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056544
c1ccc(CN2CC[C@@H](NCc3n[nH]c4c3CCC4)C2)cc1	PC-id_95205185,ZINC22_67723847	296.41	OKQAUEOEPQIKAO-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056545
C1CCCN(CC1)c1cccc(c1)NC1CCn2c1ncc2	MCULE-3162606128,EMOLS-id_318220828	296.41	CZTZDYNPOQDLOP-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-056546
C1CCN(CC1)c1ccccc1NCc1cnc2n1CCC2	MCULE-7898882210,EMOLS-id_318390791	296.41	RHJKIBPJPKNJPP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056547
C1CCN(CC1)c1cccc(c1)NCc1cnc2n1CCC2	MCULE-9666218147,EMOLS-id_318761616	296.41	HPFBOGSFWKEJEY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056548
C1CCN(CC1)Cc1cccc(c1)NC1CCn2c1ncc2	EMOLS-id_318012821,MCULE-1065859997	296.41	FNKGUDGCZJYZDX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056549
C1CC(NCc2nnc3n2CCC3)CC(C1)c1ccccc1	EMOLS-id_318607425,MCULE-5413773099	296.41	LXFLHJZQDYZFDG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056550
C(C1Cc2nnc(CN3CCCCC3)n2C1)c1ccccc1	PC-id_139599013,EMOLS-id_323941770,MCULE-8938284647	296.41	WXDDLQBZYHJVND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056551
CC1CC(c2n1ccn2)NC1CCCC(C1)c1cccnc1	EMOLS-id_318516780,MCULE-4782893640	296.41	DGVPXINZNXYOOP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-056552
CC1CC(c2n1ccn2)NC1CCCN(C1)c1ccccc1	MCULE-5588239956,EMOLS-id_318012307	296.41	ZUGCFKRWFJGVPW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056553
CC1CC(c2n1ccn2)NC1CCN(C1)Cc1ccccc1	EMOLS-id_317945654,MCULE-4571814125	296.41	KOGRUGJQEXFQAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056554
CC1CC(c2n1ccn2)NC1CCN(CC1)c1ccccc1	EMOLS-id_318080054,MCULE-1624763078	296.41	CKTAIVYAGZNKLP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056555
CC1CC(c2n1ccn2)NCc1ccccc1N1CCCC1	EMOLS-id_318504492,MCULE-3477593980	296.41	MEBCVVQUSPIGGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056556
CC1CC(c2n1ncn2)NC1CCCC1Cc1ccccc1	MCULE-3584533697,EMOLS-id_318581242	296.41	IUULMDIENQNXGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056557
CC1CC(c2n1ncn2)NCC1(CC1(C)C)c1ccccc1	EMOLS-id_318669227,MCULE-7480731652	296.41	DGANETHIAAARAS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056558
CC1CC(c2n1ncn2)NCC1CCCC1c1ccccc1	EMOLS-id_318463575,MCULE-2762648471	296.41	KIEVCZQVBGISEN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056559
CC1CC(c2n1ncn2)NCC1(CCCC1)c1ccccc1	EMOLS-id_318528915,MCULE-3465647007	296.41	PGLXCXQSDSFXGF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056560
CC1CC(c2n1ncn2)NC[C@@H]1[C@H](C1(C)C)c1ccccc1	MCULE-2396793352,EMOLS-id_318755771	296.41	HXBIXVUFBLVGAU-IGDQZBHYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056561
CC1(C)CC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318316328,MCULE-3862851083	296.41	LGSVYARQQCDLHC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-056562
CC1CCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-5205470444,EMOLS-id_318213111	296.41	FOHYMMKRYYNMKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056563
CC1CCCC1Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-8641402556,EMOLS-id_318085517	296.41	RGZSHXBBVWCVPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056564
CC1(CCC(C1)NCc1nnc2n1CCC2)c1ccccc1	EMOLS-id_318531572,MCULE-3158925856	296.41	FXTSAOKRASHEIS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056565
Cc1ccc(c(c1)C)C1(CNC2CC(n3c2ncn3)C)CC1	EMOLS-id_318638689,MCULE-3056744903	296.41	JVOBBMYGRZFZGS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056566
Cc1ccc(cc1)CN1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_317996080,MCULE-2791826026	296.41	VRWZJDKIXFPSIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056567
CC1CC(CN1Cc1ccccc1)NC1CCn2c1ncc2	EMOLS-id_317917233,MCULE-8529254189	296.41	MJXQRZDVOWHELV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056568
CC1C(CCN1Cc1ccccc1)NC1CCn2c1ncc2	MCULE-4444483924,EMOLS-id_317924147	296.41	MXHSHXNCYIICAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056569
CC1CCN(CC1)c1cccc(c1)NC1CCn2c1ncc2	MCULE-9246100742,EMOLS-id_318189939	296.41	JBFSVPBXKKWJFY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056570
C(C1CCNCC1)c1nnc2CC(Cc3ccccc3)Cn12	EMOLS-id_323946586,PC-id_145928559,MCULE-7647901226	296.41	LZWNJBIFHPKERB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-056571
CC1(C)C(NCc2nnc3n2CCC3)CC1c1ccccc1	MCULE-1498716247,EMOLS-id_318713920	296.41	UASFAQLJVQTCKD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-056572
CC1CN(CC1NC1CCn2c1ncc2)Cc1ccccc1	EMOLS-id_317967920,MCULE-6578805939	296.41	RYQMFVURKBQZPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056573
CC(c1cccc(c1)N1CCCC1)NC1CCn2c1ncc2	MCULE-4569040431,EMOLS-id_318290695	296.41	CFZXHSYYSHWQQR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056574
CC(c1nnc2n1CCC2)NC1CC(C1)c1ccccc1C	EMOLS-id_318035549,MCULE-5277792689	296.41	USNLSPYEEGZGLE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-056575
CC(c1nnc2n1CCC2)NC1CC(C1)(C)c1ccccc1	EMOLS-id_318019995,MCULE-5144235767	296.41	BVKQMCALZFTMOX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-056576
C(NC1CCN(Cc2ccccc2)C1)c1n[nH]c2CCCc12	MCULE-6135009223,EMOLS-id_32407934,PC-id_50969136	296.41	OKQAUEOEPQIKAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056577
n1ccc(cc1)C1CCCN(CC1)Cc1cc2n(n1)CCC2	EMOLS-id_319021474	296.41	CTKAPZBRKAKFLX-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-056578
CCCCCCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_104289178	296.428	XJDZRQNGHBIVDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056579
CC(C(C(C)C)CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_102908716	296.428	XQUZLQGKFCZRQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056580
CCCCCCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288194	296.428	DKZUIJXOIIGPFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056581
CC(CCCC(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104288483	296.428	HAQHSWIMSDZBDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056582
CCCCC(CNc1nc2c(s1)CCC2C(=O)O)CC	PC-id_107818863	296.428	SIMNVZJMHBFKJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056583
CCCCCCNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104288843	296.428	AAHXTNSRHUZLCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056584
CCCCCN(c1nc2c(s1)CCC2C(=O)O)C(C)C	PC-id_104288338	296.428	LUQWVMVPBJDKTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056585
CCCCCN(c1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_104287849	296.428	BXXRPBXFBBDDHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056586
CCCCC(Nc1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_104288556	296.428	XTUSIPSPDVLAFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056587
CCCCC(Nc1sc2c(n1)C(CC2)C(=O)O)CCC	PC-id_106022731	296.428	HMSASJRGZCIKLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056588
CCCCN(c1nc2c(s1)CCC2C(=O)O)CCCC	PC-id_104287777	296.428	IOOGDPUUPREFGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056589
CCC(CN(c1nc2c(s1)CCC2C(=O)O)CC)CC	PC-id_104288211	296.428	PCVFZPNFHIGIPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056590
CCCCN(c1nc2c(s1)CCC2C(=O)O)C(CC)C	PC-id_104288530	296.428	GLBZJXBBTXMQAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056591
CCCCN(c1sc2c(n1)C(CC2)C(=O)OCC)CC	PC-id_104287763	296.428	CWWQXVCWLJTFND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056592
CCCC(N(c1sc2c(n1)C(CC2)C(=O)OCC)C)C	PC-id_104287988	296.428	JIBSEOUZQJFXDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056593
CCCC(Nc1sc2c(n1)C(CC2)C(=O)OCC)CC	PC-id_104288565	296.428	QNKDDSRJJQTVET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056594
CC(C)(C)OC(=O)NCC(CN)c1cc2CCCc2s1	MCULE-5514901748,EMOLS-id_313971033	296.428	XIHWQUGAUBTTAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056595
CC(C)(C)OC(=O)NCC(N)Cc1cc2CCCc2s1	EMOLS-id_313974360,MCULE-4232654314	296.428	IAOCHGKIODEJIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056596
CC(C)(C)OC(=O)NC(CN)Cc1cc2CCCc2s1	MCULE-9039915677,EMOLS-id_313973848	296.428	FVTZZSOSDCXLHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056597
CC(CN(c1nc2c(s1)CCC2C(=O)O)CC(C)C)C	PC-id_104288087	296.428	JOAXNZAUFWSTBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056598
CCCN(c1sc2c(n1)C(CC2)C(=O)OCC)CCC	PC-id_104287750	296.428	UGQFOUURRSYMFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056599
CCCN(c1sc2c(n1)C(CC2)C(=O)OCC)C(C)C	PC-id_104287828	296.428	OAWYCFIVKGOPFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056600
CCN(CC)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956563	296.428	HSGMMOAHZGRYBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056601
CCOC(=O)C1CCc2c1nc(s2)CCN(CC)CC	PC-id_104287194	296.428	NBSGUZNRLYHIOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056602
CCOC(=O)C1CCc2c1nc(s2)NCC(CC)(C)C	PC-id_103466444	296.428	WHSFWMBUAJIIPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056603
CCOC(=O)C1CCc2c1nc(s2)N(CC(C)C)CC	PC-id_104287796	296.428	GLJCHCVBVXZLEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056604
CCOC(=O)C1CCc2c1nc(s2)N(C(CC)C)CC	PC-id_104287839	296.428	BLUNMPROKSAYKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056605
CCOC(=O)C1CCc2c1nc(s2)N(CC(CC)C)C	PC-id_104287852	296.428	SSOMIIQXNQJUHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056606
CCOC(=O)C1CCc2c1nc(s2)NC(CC(C)C)C	PC-id_104287872	296.428	YLRGMCWRTULFPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056607
CCOC(=O)C1CCc2c1nc(s2)N(C(CC)CC)C	PC-id_104287985	296.428	IALOPYWZPVBSRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056608
CCOC(=O)C1CCc2c1nc(s2)N(C(C(C)C)C)C	PC-id_104287992	296.428	WXLKFTGVKBYAKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056609
CCOC(=O)C1CCc2c1nc(s2)NC(C(CC)C)C	PC-id_104288172	296.428	FYAWTXRDVOJAKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056610
CCOC(=O)C1CCc2c1nc(s2)NC(C(C)C)CC	PC-id_104288193	296.428	CEHZEXKJGRUAQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056611
CCOC(=O)C1CCc2c1nc(s2)N(CC(C)(C)C)C	PC-id_104288390	296.428	IWMOPVLGBOQFEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056612
CCOC(=O)C1CCc2c1nc(s2)N(CCC(C)C)C	PC-id_104288466	296.428	QTTSLKSWROLENV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056613
CCOC(=O)C1CCc2c1nc(s2)NCCCC(C)C	PC-id_104288695	296.428	ALENMBQUZLIONX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056614
CCOC(=O)C1CCc2c1nc(s2)N(C(CC)(C)C)C	PC-id_104288819	296.428	MXDOFBTUKNRXOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056615
CCOC(=O)C1CCc2c1nc(s2)NCC(C(C)C)C	PC-id_104288939	296.428	SHCRLKQCGVGQSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056616
CCOC(=O)C1CCc2c1nc(s2)NC(C(C)(C)C)C	PC-id_104830465	296.428	FRGKNICHKMTCKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056617
CCOC(=O)C1CCc2c1nc(s2)NC(CC)(CC)C	PC-id_106331927	296.428	OPHUGTZEQWOMHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056618
CCOC(=O)C1CCc2c1nc(s2)NC(CCC)(C)C	PC-id_116082766	296.428	NPSGXZAIOAWHOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056619
CCOC(=O)C1CCc2c1nc(s2)NCCC(C)(C)C	PC-id_116371360	296.428	XUJGXSHWKMMGLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056620
CCOC(=O)C1CCc2c1nc(s2)NCC(CC)CC	PC-id_116375719	296.428	MWSBIESGBNZYIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056621
COCCNC(c1sc2c(n1)CCC2)(C1CCOC1)C	PC-id_116176823	296.428	HBQHOAZNQZVOGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056622
OCC1(CCOCC1)CNC(c1sc2c(n1)CCC2)C	PC-id_110017313	296.428	LFUNVUBBBVIATM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056623
OCCC1(CCOC1)CNC(c1sc2c(n1)CCC2)C	PC-id_109908805	296.428	SAWRCYSMCWFASS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056624
OC(CNC(c1sc2c(n1)CCC2)C)COCC1CC1	PC-id_109908747	296.428	NQWBMPXHJYZKSH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-056625
OC(=O)C1CCc2c1nc(s2)NC(CC(C)(C)C)(C)C	PC-id_104288454	296.428	YPGAWLOEDOUQOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056626
O=C(OC(C)(C)C)NCCNCc1sc2c(c1)CCC2	PC-id_115614703	296.428	JUGGYROLJKGRGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056627
s1c2c(CCC2)cc1CNCC(O)CN1CCOCC1	PC-id_61208164	296.428	UMBIICAYKTUTAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056628
s1c2c(CCC2)cc1CNC(C(=O)NCCCOC)C	PC-id_61207424	296.428	MQTSFDCYVZQKQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056629
s1c2C(OC(c2c(c1N)C(=O)N(CC)CC)(C)C)(C)C	PC-id_79917250	296.428	XUWCGTDUZZEWCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056630
s1c(nc2c1CCC2)C(NCCOC)(C1CC1)COC	PC-id_80411226	296.428	PEVQQZDNAPVFJE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-056631
s1c(nc2c1CCC2)C(NCCOC)C1CCCOC1	PC-id_63742023	296.428	PPHKAWXWDQZDMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056632
s1c(nc2c1CCC2)C(NCCOC)C1CCOCC1	PC-id_62542088	296.428	YKRBWVSFYLJICA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056633
s1c(nc2c1CCC2)C(NCCOC)C1OC(CC1)C	PC-id_82837745	296.428	YUVSGEMGQVOBAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056634
c1(NC(=O)C(C)CN(C)C(C)C)n(C)nc2CSCc12	PC-id_134698084,EMOLS-id_316191913,MCULE-9584135900	296.432	QJJYIQBVQMUVMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056635
CC(C)N(C)C[C@H](C)C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529104569	296.432	QJJYIQBVQMUVMR-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-056636
CC(C)N(C)C[C@@H](C)C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529104593	296.432	QJJYIQBVQMUVMR-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056637
C1(C(=O)N)(C(=O)N)Sc2c(sc(=S)s2)S1	SCHEMBL8628529,PC-id_4596023,MCULE-9087194828,EMOLS-id_6166126,CK1978908,TIMTEC590426,ZINC22_4422334,CoCoCo_1665625	296.433	ZEJIVEZWIVWDOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056638
CN=C(NCc1nnc2n1CCC2)NCC(SC)(C)C	PC-id_111609646	296.435	SHBLBNQAVZXPBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056639
CSCCCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111626592	296.435	VAAGOZOXRMIAAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056640
Cc1cc2c(n1OCC[Si](C)(C)C)CN(C2)C(=O)OC	SCHEMBL15020298,PC-id_89620682	296.437	YAYBCJOOYXAMTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056641
CCc1ccc2n1CCC2CN(CCCc1ccccc1)C	PC-id_144237469	296.45	OUMRAXJSZXAELN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056642
CC(N1Cc2c(C1)cc(s2)C(=O)N1CCSCC1)C	PC-id_53171034	296.451	JXQXTYPCOIGPIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056643
O=C(c1sc2c(c1)CCC2)NCCC1NCCSC1	EMOLS-id_319254458	296.451	QOCKVGRLQINQFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056644
s1c2c(CCC2)cc1CNC(=O)CC1NCCSC1	PC-id_66422873	296.451	KGMYVSPRVOUCKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056645
s1c2c(CCC2)cc1C(=O)N(C(C)C)CCC(=S)N	PC-id_54998283	296.451	WIIYLXMJGGYRIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056646
s1c2c(CCC2)cc1C(=O)NC(CC)(CC)C(=S)N	PC-id_61121177	296.451	PBJTXQLMVWPXTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056647
s1c2c(CCC2)cc1C(=O)N(CC(C)C(=S)N)CC	PC-id_54987561	296.451	HYLRAASCBVWSFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056648
CCCCCCCCCCCCc1csc2c1OCO2	PC-id_142758557	296.468	YZEFDBFSCHUAJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056649
s1cc2CC(Cc2c1)(COCCCC)COCCCC	PC-id_85844054	296.468	SOHHSJNXZRRJCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056650
CC(c1sc2c(n1)CCC2)NCC(C(C(C)C)O)(C)C	PC-id_110017321	296.471	VAUUNQJOHJZZDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056651
CCCCC(C(CC)C)NC(c1sc2c(c1)CNC2)O	PC-id_143560619	296.471	ZRJCFBYLYHVOQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056652
CC(CCC(CNC(c1sc2c(n1)CCC2)C)(O)C)C	PC-id_109908780	296.471	FHPOGJPOLQWHCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056653
OCCC(CC(C)C)CNC(c1sc2c(n1)CCC2)C	PC-id_109908798	296.471	MYHNCDFALHXJAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056654
s1c2CCCc2nc1C(NCCOC)CCCCCC	PC-id_62542427	296.471	DNJSITZWZVIHFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056655
s1c(nc2c1CCC2)C(NC(C)C)(CC(OC)(C)C)C	PC-id_61335432	296.471	DRBPHPYLQFIJTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056656
s1c(nc2c1CCC2)C(NCCC)(CC(OC)(C)C)C	PC-id_61335964	296.471	HLTHYBBHHBDFMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056657
s1c(nc2c1CCC2)C(NCCOC)(CCC)CCC	PC-id_62541918	296.471	IZWAREBBRWEUAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056658
s1c(nc2c1CCC2)C(NCCOC)(CCC(C)C)C	PC-id_62542428	296.471	YEBALMIPVJZYEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056659
s1c(nc2c1CCC2)C(NCCOC)(CCCC)CC	PC-id_63953060	296.471	NZNFGHQUZDLWKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056660
s1c(nc2c1CCC2)C(NCCOC)(CCCCC)C	PC-id_80558622	296.471	PEMFVTLLUPFFKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056661
CCCCCCCCCC(=O)c1sc2c(c1)CSC2	PC-id_121306044,SCHEMBL17714601	296.491	FOBIYCPTPJULSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056662
O=C1c2sccc2C(C1(C)C)O[Si](C(C)(C)C)(C)C	PC-id_101472840	296.5	YIZMJZCSLNLYDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056663
O=C([Si](C)(C)C)CC1(C)C[Si](c2c1scc2)(C)C	PC-id_138982035	296.576	NMPBJMIUENBJRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056664
O=C(c1c(Cl)cn2c1CCC2)Nc1ccc(c(c1)F)F	PC-id_139507379,SCHEMBL21378237	296.7	FKLCSTVOCUAWQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056665
C1Cn2c(c(c(=Nc3ccc(cc3)Cl)s2)[N+](=O)[O-])N1	PC-id_136901711	296.733	ZKVFDVMERICXHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056666
CC1CCc2c1c(CCl)nn2Cc1cccc(F)c1F	EMOLS-id_331026184,MCULE-2291642691	296.743	JETJKUWLMHQDTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056667
CC1CCc2c1c(CCl)nn2Cc1ccc(F)cc1F	EMOLS-id_331024392,MCULE-6178162161	296.743	AVLFRGTZSWNNHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056668
CC1CCc2c1c(CCl)nn2Cc1ccc(F)c(F)c1	EMOLS-id_331024136,MCULE-9986526396	296.743	KDSGZUCSQGVLOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056669
CC1CCc2c1c(CCl)nn2Cc1cc(F)ccc1F	MCULE-1977859999,EMOLS-id_331022601	296.743	GREJEIDIDUCASL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056670
CC1CCc2c1c(CCl)nn2Cc1cc(F)cc(F)c1	MCULE-7186206159,EMOLS-id_331024649	296.743	VFIFGPVVPHVGDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056671
CC1CCc2c1c(CCl)nn2Cc1c(F)cccc1F	MCULE-5999822362,EMOLS-id_331022345	296.743	CSJRAVAANLFGEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056672
CC1CCc2c1c(Cl)nn2Cc1c(C)cc(F)cc1F	MCULE-5412550885,EMOLS-id_330974200	296.743	FKBZOKZPDPDZRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056673
CC1CCc2c1c(Cl)nn2Cc1ccc(F)c(F)c1C	MCULE-8893438584,EMOLS-id_330973944	296.743	HAYLFAUHYRIOQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056674
CC1CCc2c1c(Cl)nn2Cc1cc(F)cc(F)c1C	MCULE-8444258605,EMOLS-id_330973688	296.743	IFXKXXFRSCMHJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056675
CC1CCc2nn(Cc3cccc(F)c3F)c(CCl)c12	EMOLS-id_331006131,MCULE-8526352611	296.743	ZNOYCBMIZMHQQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056676
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(Cl)c12	MCULE-9692255661,EMOLS-id_330959284	296.743	DUFFAECDNAJQLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056677
CC1CCc2nn(Cc3ccc(F)cc3F)c(CCl)c12	EMOLS-id_331008434,MCULE-9816645479	296.743	PLEFHJVWHSKGAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056678
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(CCl)c12	EMOLS-id_331008178,MCULE-2787341787	296.743	YWLPXJYVMBDMJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056679
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(Cl)c12	MCULE-5935054446,EMOLS-id_330959028	296.743	XUKQQSXSEZECHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056680
CC1CCc2nn(Cc3cc(F)ccc3F)c(CCl)c12	EMOLS-id_331006643,MCULE-2716467574	296.743	OVRPGQDTOMKAJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056681
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(Cl)c12	EMOLS-id_330958772,MCULE-7955075555	296.743	XDDSLDFRJLQTMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056682
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(CCl)c12	MCULE-2472731600,EMOLS-id_331008691	296.743	QVMFKXFHAYBPHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056683
CC1CCc2nn(Cc3c(F)cccc3F)c(CCl)c12	EMOLS-id_331006387,MCULE-9170699403	296.743	JMCCUOPANJEHHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056684
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960569,MCULE-5903747211	296.743	RJXVMYPBXDEXRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056685
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330959799,MCULE-6955409922	296.743	MQTGUTSTQIFICM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056686
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960055,MCULE-8243356148	296.743	MBJZFGSFVHYRHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056687
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1Cl	MCULE-9614647835,EMOLS-id_330960313	296.743	QZSMQUIBGHUBFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056688
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1Cl	MCULE-5707300083,EMOLS-id_330960057	296.743	KQFPRHMGQLYCCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056689
c1(sc2c(CCC2)n1)NC(=O)c1c(cccc1Cl)F	EMOLS-id_181473820,MCULE-5423160271,PC-id_84558811	296.748	FBVYZIGTWJJGOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056690
O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)cc1F	PC-id_25624592,CoCoCo_4164349,EMOLS-id_24103922,ZINC22_12945226,MCULE-2107173029	296.748	YWFCWCCOVQIPNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056691
O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)ccc1F	ZINC22_13019648,EMOLS-id_24135060,PC-id_25674813,MCULE-6606592749,CoCoCo_4164348	296.748	MDMRLMOQKSAXIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056692
c1(c2CCCc2nn1Cc1ccccc1)S(=O)(=O)Cl	EMOLS-id_178071752,MCULE-5621781911	296.773	USOCMIRFEJGFSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056693
Clc1ccccc1CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318407086	296.773	DFXVNUWYUWAZHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056694
Brc1c(Nc2sc3CCCc3n2)ncnc1	PC-id_66317685	297.174	UVVCBFYCBKKWSN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056785
Clc1ccc(cc1)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318508367	296.773	UWUSYKOMVSPACN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056695
Clc1cccc(c1)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318656423	296.773	JYRQVXNFRUSCRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056696
Clc1ccc(Cn2c(O)c3n(C(SC3)C)c2=O)cc1	PC-id_53806016	296.773	FLTFQPINAVLFOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056697
C1[C@@H](c2c(C1Nc1c(c(ncn1)Cl)N)ccs2)CO	PC-id_134830971	296.776	CBDANBJIANHOLF-XPJFZRNWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056698
CC(c1nnc2n1CCC2)NC(=O)c1ccsc1Cl	EMOLS-id_318534873	296.776	BIAQCQWHPVNMPW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056699
CC(c1nnc2n1CCC2)NC(=O)c1sccc1Cl	EMOLS-id_318643920	296.776	UMMPPCHDNSXBHY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056700
CCn1nc(c(c1)Cl)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318642537	296.776	GXTBNLCMKHAKIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056701
CCn1ncc(c1C(=O)Nc1sc2c(n1)CCC2)Cl	EMOLS-id_318397626	296.776	OEZPYMOSQLPVOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056702
Clc1ccc(s1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318454062	296.776	GHYJRAPLLVPDNA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056703
Clc1csc(c1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318582492	296.776	AODRWFHNTVHIND-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056704
Clc1nc(NCc2sc3CCCc3c2)nc(OC)n1	PC-id_62857821	296.776	PEUXGIOTFMSKIM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056705
Clc1sc2CCC(Nc3cn(nc3)CC(=O)N)c2c1	PC-id_81251411	296.776	JFZMFSNDZWADOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056706
Clc1scc(c1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318658004	296.776	UTMBPZZQLIDVLE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056707
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Cl)s1	MCULE-4238849879,CHEMBL4548124,ZINC22_89364935,PC-id_71896155,EMOLS-id_45751166	296.776	FEZFVCIQTRFDDK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056708
COc1ncc(c(n1)NCc1sc2c(n1)CCC2)Cl	EMOLS-id_318616603,MCULE-6155245889	296.776	NNSFKIRZVUYUCX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056709
O=c1n(C)ncc(c1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318727860,MCULE-1638110443	296.776	ABFQCGGDZSVBMQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056710
O=C(C1NCc2c1c[nH]n2)NCCc1ccc(s1)Cl	EMOLS-id_318842334	296.776	QTNXPFSIVIPBSE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056711
O=C(c1[nH]ncc1Cl)NCCc1sc2c(n1)CCC2	EMOLS-id_319661363	296.776	DPKQVPZTYVQDLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056712
OC[C@H]1C[C@H](c2c1scc2)Nc1ncnc(c1N)Cl	PC-id_101483160	296.776	CBDANBJIANHOLF-HTRCEHHLSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056713
OC[C@H]1C[C@@H](c2c1scc2)Nc1ncnc(c1N)Cl	PC-id_101483161	296.776	CBDANBJIANHOLF-SVRRBLITSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056714
Clc1ccc(c(c1)CC(c1sc2c(c1)CCC2)O)F	PC-id_103053454	296.787	RHSBYODBQGHHME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056715
Clc1ccc(c(c1)F)CC(c1sc2c(c1)CCC2)O	PC-id_115839665	296.787	JHNKXLHWNFCCCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056716
Clc1c(CC(O)c2sc3c(CCC3)c2)c(F)ccc1	PC-id_55149725	296.787	IHVVFOCOBPXINI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056717
Clc1c(C(O)c2sc3c(CCC3)c2)cc(c(F)c1)C	PC-id_81045462	296.787	ZENVWBKZIHRFFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056718
ClC(c1sc2c(CCC2)c1)c1cc(F)c(OC)cc1	PC-id_61085683	296.787	CJXGUIWJWNYBLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056719
ClC(c1sc2c(CCC2)c1)c1c(F)cc(OC)cc1	PC-id_63434342	296.787	UQIMRQPWDHWHBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056720
ClC(c1sc2c(CCC2)c1)c1c(OC)ccc(F)c1	PC-id_63432829	296.787	ZODCWTPIWZGQGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056721
Fc1ccc(c(c1)CC(c1sc2c(c1)CCC2)O)Cl	PC-id_102623142	296.787	KHEMKQOWDRPMDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056722
Fc1ccc(c(c1)Cl)CC(c1sc2c(c1)CCC2)O	PC-id_115785226	296.787	ZOBXGAMYIMSDCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056723
OC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Cl)F	PC-id_103043664	296.787	ZSNWDOQWRSQDKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056724
OC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)F	PC-id_115831103	296.787	VDKJSYZDUGCQHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056725
OC(c1sc2c(c1)CCC2)Cc1cccc(c1F)Cl	PC-id_102867589	296.787	VEVFLWMYMZRMCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056726
OC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)Cl	PC-id_107894405	296.787	CEZASZWCZXGHJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056727
Cc1c2C(CCn2c(=S)[nH]1)Cc1c(ccc(c1)Cl)F	PC-id_134377374,SCHEMBL20006180	296.791	FEPJZEPBGJZUDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056728
ClC1c2[nH]c(NCCc3ccc(F)cc3)cc2SC1	PC-id_9857389	296.791	HUATYIAWUHYGER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056729
Clc1cc(C(NC)c2sc3CCCc3n2)ccc1F	PC-id_81155038	296.791	ZTFJZZNODUVXHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056730
Clc1c(C(NC)c2sc3CCCc3n2)c(F)ccc1	PC-id_61330775	296.791	XSMIRGKXVZKHPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056731
Clc1c(F)cc(C(NC)c2sc3CCCc3n2)cc1	PC-id_61650164	296.791	BMVKWSVEVDLECH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056732
CNC(c1ccc(cc1Cl)F)c1sc2c(n1)CCC2	PC-id_108298451	296.791	NAFIWSSZYIUNDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056733
CNC(c1cccc(c1F)Cl)c1sc2c(n1)CCC2	PC-id_114488393	296.791	RXGDDFCKDIFTAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056734
CNC(c1ccc(cc1F)Cl)c1sc2c(n1)CCC2	PC-id_114859159	296.791	PDJSHROJZGFKKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056735
CNC(c1cc(Cl)ccc1F)c1sc2c(n1)CCC2	PC-id_114859161	296.791	QQSCMJRXQXNGJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056736
CNC(c1sc2c(n1)CCC2)c1cc(F)cc(c1)Cl	PC-id_114453960	296.791	YVTUMRZFVSRQCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056737
NNC(c1ccc(cc1F)Cl)c1sc2c(c1)CCC2	PC-id_105328371	296.791	OMSNYSXJUXCVQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056738
NNC(c1cc(F)ccc1Cl)c1sc2c(c1)CCC2	PC-id_105398102	296.791	ZJWARNAKNNVUNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056739
NNC(c1c(F)cccc1Cl)c1sc2c(c1)CCC2	PC-id_114275506	296.791	ZFEQQCGEYUMTHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056740
ClC1=Nc2scc[n+]2C1=CNNC1=NCCCCC1	PC-id_7722165	296.799	LGLXTDIWZFFWHG-UHFFFAOYSA-O	00000011100000000111000010000000000000000000000000000000	25-01-056741
N#Cc1c(Cl)nsc1NCc1sc2c(n1)CCC2	EMOLS-id_318735201,MCULE-9249683879	296.799	IXGXLSKBPOJIGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056742
N#Cc1nc(sc1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318579431,MCULE-1088615385	296.799	OOCRLOZRHCBPIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056743
N#Cc1sc(nc1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318630349,MCULE-7627264197	296.799	ATZWIIRCQYVVIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056744
CCCn1ncc(c1C(c1sc2c(c1)CCC2)O)Cl	PC-id_115835507	296.816	HINSGMJPCVGZEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056745
CC(n1ncc(c1C(c1sc2c(c1)CCC2)O)Cl)C	PC-id_115835115	296.816	ZBZPKMYMDONCCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056746
Clc1sc2c(C(NC(c3c(onc3C)C)C)CC2)c1	PC-id_81251435	296.816	FFZLMRZHACENNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056747
OC(c1sc2c(c1)CCC2)Cc1c(C)nn(c1Cl)C	PC-id_115832315	296.816	UOKQOMRFKISITN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056748
OC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Cl)C	PC-id_115811681	296.816	MNSGCKDAFSLJLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056749
Cc1nn(c(c1Cl)CNCc1sc2c(n1)CCC2)C	EMOLS-id_318663440,MCULE-9560586169	296.819	WUBRIBPSSYSEHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056750
Cc1nn(c(c1CNCc1sc2c(n1)CCC2)Cl)C	EMOLS-id_318411409,MCULE-2791336288	296.819	ZJGSDECTNJMSFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056751
CCn1ncc(c1C(c1sc2c(c1)CCC2)NN)Cl	PC-id_105336352	296.819	QQIXSZOFQYODCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056752
CC(n1nc(c(c1)Cl)NCc1sc2c(n1)CCC2)C	EMOLS-id_318753089,MCULE-2811476084	296.819	RRXFULROGIKJCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056753
CCn1nnc(c1CNC1CCc2c1cc(s2)Cl)C	MCULE-5103433143,EMOLS-id_316916574	296.819	IXLKBSFQXDBYAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056754
CCn1nnc(C)c1CN[C@H]1CCc2sc(Cl)cc12	ZINC22_449328271	296.819	IXLKBSFQXDBYAJ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-056755
CCn1nnc(C)c1CN[C@@H]1CCc2sc(Cl)cc12	ZINC22_449328272	296.819	IXLKBSFQXDBYAJ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056756
Clc1scc(c1)C(NC(c1nnc2n1CCC2)C)C	PC-id_105556262	296.819	KIJIASOMVBDLDS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056757
Clc1sc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_43748114	296.819	SAVOCZMNDBRMRA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056758
Cn1cc(c(n1)CNc1sc2c(n1)C(CC2)(C)C)Cl	EMOLS-id_318590797,MCULE-6675026271	296.819	BIELJSOOGXGNQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056759
Clc1sc2c(C(NC3CCN(C4CC4)CC3)CC2)c1	PC-id_81252176	296.859	WRMNWVJVZBFXFG-UHFFFAOYSA-N	00100010100010000000100010000000000000000000000000000000	25-01-056760
Clc1sc2c(C(NCC3CN(C4CC4)CC3)CC2)c1	PC-id_81252794	296.859	GHOWCDWRXYGORU-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-056761
c12N(CCn1nc(Br)c2N(=O)=O)CC(F)F	MCULE-1404893208,EMOLS-id_320440856	297.057	HGGJSHZLWUBZTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056763
COCCN1C=CC(=N1)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164872096	297.09	OVUQORVQHMUKEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056764
O=C(c1c(Br)nc2n1CCC2)Nc1c[nH]nn1	EMOLS-id_279120056	297.111	SDMORUXNHSVDEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056765
CC1CCc2c1c(CBr)nn2CC(F)(F)F	MCULE-4543208873,EMOLS-id_331032076	297.115	DHXJLFCSBMZNLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056766
CC1CCc2nn(CC(F)(F)F)c(CBr)c12	MCULE-7173422226,EMOLS-id_331016379	297.115	ITPHEQVTOHVQKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056767
CC(n1nc2CCC(C)c2c1Br)C(F)(F)F	MCULE-4365933744,EMOLS-id_331017129	297.115	IRKCVJGIQWBECG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056768
CC(n1nc(Br)c2C(C)CCc12)C(F)(F)F	MCULE-5163078882,EMOLS-id_330965501	297.115	JHFSYERDEXKCMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056769
CC1=CC(=NC(=N1)NCC2=NNC3=C2CCC3)C(F)(F)F	MCULE-1066198353,EMOLS-id_317733082,PC-id_154788259	297.12	GLYANLSDPXSMDM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056770
CCN([C@H](C)CC1(CN2C=C(N=C2O1)[N+](=O)[O-])C)C(=O)[O-]	PC-id_153874048	297.12	RLTQIDDJQYYQTE-SZSXPDSJSA-M	00000010100000000001000010000000000000000000000000000000	25-01-056771
CC(C1c2c(CN1C(=O)OC(C)(C)C)cc(o2)C(=O)O)O	PC-id_163833003	297.121	OFHVBSVDOKSKNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056772
Clc1ccc(c(c1)NC(=O)c1noc2c1CCC2)Cl	PC-id_5075789,ChEMBL-DNDi_CHEMBLC226-3244	297.137	BAEWQAGLCCXQOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056773
OP(=O)(C(P(=O)(O)O)CN1CCn2c1ncc2)O	SCHEMBL9760096,PC-id_10494200	297.142	IZTXANJTJBRHID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056774
Brc1ccc(o1)CNCc1nnc2n1CCC2	EMOLS-id_318401634,MCULE-3038356035	297.151	URBAZSJKXWRFMG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-056775
Brc1ccoc1CNCc1nnc2n1CCC2	EMOLS-id_318787359,MCULE-9587633457	297.151	BCXQLOBUDVHUNJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-056776
CC[C@H](C)[C@H]1C2=C(CN1C(=O)OC(C)(C)C)SC(=N2)N	PC-id_154067647	297.151	PVFIULMIHRLDLY-KWQFWETISA-N	00000010100000000001000010000000000000000000000000000000	25-01-056777
Brc1cn[nH]c1CNC1CC(n2c1ncn2)C	EMOLS-id_279083192	297.154	KFUGNIDKVSNMCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056778
C[C@@H]([C@@](C(C)C)(C(=O)OCC1=C2[C@@H](CCN2C=C1)O)O)O	PC-id_165362884	297.158	LSFNAOCNTYIQHI-NVBFEUDRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056779
[se+]1c([se]c2c1CCC2)SCC	PC-id_11003515	297.158	NYOROOFZDZLHDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056780
Cc1n[n+]2c(s1)SCC2=CI	PC-id_134158734	297.16	PFZAIUTXRRDXER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056781
Clc1ccc(cc1Cl)/C=c
/sc2n(c1=O)ccn2	SPECS-id_AT-225/NB53500	297.16	XGCFAHCRPZBXJW-UXBLZVDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-056782
Brc1ccc(o1)C(=O)c1sc2c(c1)CCC2	PC-id_80217905,EMOLS-id_314361464	297.168	PSFQDGTXMWRDAM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-056783
Brc1ccoc1C(=O)c1sc2c(c1)CCC2	PC-id_114973432	297.168	XLQQHMFACMSQRF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-056784
Clc1c(Cc2n(nc3c2CCC3)C)cc(O)c(Cl)c1	PC-id_68711981,SCHEMBL3608732	297.18	DGXCRFYTSCUPBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056789
Clc1cccc(c1CNC1CC(n2c1ncn2)C)Cl	EMOLS-id_318424826,MCULE-5497837075	297.183	SLUDKZDORLDILV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056790
Clc1cccc(Cl)c1CNCc1nnc2n1CCC2	EMOLS-id_300424949,MCULE-6872248321,PC-id_37785940,ZINC22_30652518	297.183	LKIXAOMXNKIWDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056791
Clc1ccc(CNCc2nnc3n2CCC3)cc1Cl	ZINC22_30652430,PC-id_37785831,MCULE-4047470839,EMOLS-id_45746589	297.183	RQFYWNRXSGPXJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056792
Clc1ccc(CNCc2nnc3n2CCC3)c(Cl)c1	MCULE-4834441234,ZINC22_30652753,EMOLS-id_45746591,PC-id_37786237	297.183	OGQJPSCULKKGQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056793
Clc1c(CNCc2n3CCCc3nn2)cccc1Cl	MCULE-2080681019,PC-id_37786232,EMOLS-id_300428528	297.183	HYGWLXOEFWHCTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056794
Clc1cnc(c(c1)Cl)CNC1CC(n2c1ncc2)C	MCULE-3525394994,EMOLS-id_318561863	297.183	YADBVGXXLCFMSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056795
Clc1cncc(c1CNC1CC(n2c1ncc2)C)Cl	MCULE-4589055296,EMOLS-id_318717307	297.183	IKWFGVDFYBDNKA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056796
CCC(C)(C)c1ccc(cc1)OCC1=NCc2cc(nn12)C	PC-id_163686078	297.184	SMIAHZVCBHVCET-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-056797
BrCS(=O)(=O)Nc1sc2CCCc2n1	PC-id_83086368,EMOLS-id_107291811	297.193	NBLYCKCYPBYOCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056798
Clc1ccc(c(c1)Cl)C(=O)c1sc2c(c1)CCC2	EMOLS-id_314241243,PC-id_63492535	297.2	WDWARSHBGLXSSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056799
Clc1ccc(c(c1)C(=O)c1sc2c(c1)CCC2)Cl	PC-id_43463788,EMOLS-id_314069787	297.2	CMQZOMOWQCHLGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056800
Clc1cc(C(=O)c2sc3CCCc3c2)ccc1Cl	PC-id_43463775,EMOLS-id_315057149	297.2	SVGGSHPBJZQDRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056801
O=C(c1cccc(c1Cl)Cl)c1sc2c(c1)CCC2	PC-id_114970485	297.2	QPFYATYFUDASFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056802
BrC(c1sc2c(CCC2)c1)Cc1[nH]ccn1	PC-id_61098588	297.214	STXWAVYDBWKXTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056803
O=C(c1occ2c1CCC2)Nc1cnc(nc1)C(F)(F)F	EMOLS-id_278175298	297.233	XMGFLVJUYHXAIX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056804
CC(C1CCC1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331014323,MCULE-3321155750	297.234	OFZYBWBXGGGKNA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-056805
CC(C1CCCC1)n1nc2CCC(C)c2c1Br	EMOLS-id_331018913,MCULE-4801735160	297.234	QXBIDDKJDRPCOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056806
CC(n1nc2CCC(C)c2c1CBr)C1(C)CC1	MCULE-8243659923,EMOLS-id_331017905	297.234	MYMBGXDVZCBXDE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-056807
Cn1nc(cc1C=C1C(C)n2c(C1=O)ncn2)C(F)(F)F	EMOLS-id_278712938	297.236	XQOAVIKGJKCFHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056808
ClC(c1sc2c(CCC2)c1)Cc1ccc(Cl)cc1	PC-id_63543515	297.243	SXGAXUYRRRGBLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056809
ClC(c1sc2c(CCC2)c1)Cc1cc(Cl)ccc1	PC-id_55224458	297.243	YXUZZPBVXUTTPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056810
Cc1nc2s/c(=Cc3cc(F)c(F)c(F)c3)/c(=O)n2n1	STOCK7S-52564,EMOLS-id_50597036	297.256	MXBSCSMAHVRILI-WTKPLQERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-056812
FC(F)(F)c1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324909572	297.256	ZDIPFJFOSOJORM-VURMDHGXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-056813
n12c(=O)c(=Cc3ccccc3)sc1nc(C(F)(F)F)n2	MCULE-2654980934	297.256	ZDIPFJFOSOJORM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-056814
n12nc(nc1sc(=Cc1cc(F)c(c(F)c1)F)c2=O)C	MCULE-5392602034,PC-id_91822804	297.256	MXBSCSMAHVRILI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-056815
FC(C(n1cccn1)CNC(=O)c1nn2c(c1)OCC2)F	MCULE-9663871397,EMOLS-id_320270808	297.261	PPSWWHFQUBGQQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056816
O1C(CN2CCN(CC2)C(=O)O)Cn2c1nc([N+](=O)[O-])c2	SCHEMBL5538961,PC-id_23081212	297.267	IJEVWAQZOUYWIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056817
O1[C@H](CN2CCN(CC2)C(=O)O)Cn2c1nc([N+](=O)[O-])c2	SCHEMBL5538952,PC-id_69480403	297.267	IJEVWAQZOUYWIT-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056818
O1[C@@H](CN2CCN(CC2)C(=O)O)Cn2c1nc([N+](=O)[O-])c2	SCHEMBL5540324,PC-id_69480794	297.267	IJEVWAQZOUYWIT-QMMMGPOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056819
c12CN(Cc1nn(CC(F)(F)F)c2O)Cc1ccccc1	EMOLS-id_324340586,MCULE-4492014790	297.276	VSFVRRXBZDDIAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056820
CC1CC(c2n1ccn2)Nc1cccc(c1)OC(F)(F)F	MCULE-1974298731,EMOLS-id_318243148	297.276	VTMCSZSFTSDSSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056821
COc1cc(ccc1C(F)(F)F)NC1CCn2c1ncc2	MCULE-7023279705,EMOLS-id_318116754	297.276	GQULOUOMZCQJFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056822
FC(Oc1ccc(cc1NC1CC(n2c1ncc2)C)F)F	MCULE-8635135795,EMOLS-id_318748496	297.276	IGUXXXUQLAGFPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056823
FC(Oc1ccc(cc1NCc1cnc2n1CCC2)F)F	EMOLS-id_318389256	297.276	UOIRRTDTNFBKBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056824
FC(Oc1ccccc1NCc1cnc2n1CCC2)(F)F	EMOLS-id_318391046,MCULE-7322273616	297.276	GRQUCOCVSWALJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056825
FC(Oc1cccc(c1)NCc1cnc2n1CCC2)(F)F	MCULE-8551862653,EMOLS-id_318168333	297.276	RZPCHDVSRYCWTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056826
FC(Oc1cc(F)ccc1NC1CC(n2c1ncc2)C)F	MCULE-6701517223,EMOLS-id_318643498	297.276	YOVPYSQACZVUMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056827
CC1CC(c2n1ncn2)NCc1cccc(n1)C(F)(F)F	EMOLS-id_318628938	297.279	AJGXTCHDOWGAAQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056828
CC1CC(c2n1ncn2)NCc1ccnc(c1)C(F)(F)F	EMOLS-id_318649520	297.279	ZLWADAXDNDIJPO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056829
CC1CC(c2n1ncn2)NCc1cnccc1C(F)(F)F	EMOLS-id_318578108	297.279	RVQGHPQMTSEENU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056830
CC1CC(c2n1ncn2)NCc1cncc(c1)C(F)(F)F	EMOLS-id_318665578	297.279	ZMNUZHJKDYXJHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056831
Cc1nc(NC2CC(n3c2ncc3)C)nc(c1)C(F)(F)F	EMOLS-id_318240890,MCULE-7405455119	297.279	NECOKPOFKFHWLV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-056832
Cc1nnc2CC(CNc3ccc(cn3)C(F)(F)F)Cn12	MCULE-6265018662,EMOLS-id_317490051,PC-id_137345467	297.279	HKZNGBJSBWLWCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056833
Cc1nnc2n1C[C@@H](CNc1ccc(C(F)(F)F)cn1)C2	ZINC22_1772702593	297.279	HKZNGBJSBWLWCA-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056834
Cc1nnc2n1C[C@H](CNc1ccc(C(F)(F)F)cn1)C2	ZINC22_1772702599	297.279	HKZNGBJSBWLWCA-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-056835
CC(c1nnc2n1CCC2)Nc1ccc(cn1)C(F)(F)F	EMOLS-id_318034135	297.279	SGSXXPQQSQTKAO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056836
CC(c1nnc2n1CCC2)Nc1cccc(n1)C(F)(F)F	EMOLS-id_49350773,PC-id_75522211	297.279	QTKUQFNOBRTGLA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056837
CC(c1nnc2n1CCC2)Nc1ccc(nc1)C(F)(F)F	EMOLS-id_318405350	297.279	DDJSPCJEZFXTKB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056838
CC(c1nnc2n1CCC2)Nc1ccnc(c1)C(F)(F)F	EMOLS-id_318205911	297.279	JIBFRQNUHUQDBB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056839
CC(c1nnc2n1CCC2)Nc1nccc(c1)C(F)(F)F	EMOLS-id_318188934	297.279	FCMKUANTPQQVIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056840
COC(=O)C1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960120	297.282	XTCWCXWVTDYMCD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056841
O=C(N)C1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)[O-]	PC-id_18730123	297.285	XJNYSTBFBXVEBN-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-056842
O=C(c1cncn1c1ccc(F)cc1)N1Cc2c[nH]nc2C1	EMOLS-id_316809606,ZINC22_646347450,MCULE-8884270687	297.287	NTAUKDATSRWSGF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056843
C1c2c(CN1C(=O)N)[nH]nc2[N+]#Cc1ccc(cc1)C(=O)N	PC-id_91439872	297.292	SOCSCERFCUOMOR-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-056844
O=C(c1cnccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_102709538	297.296	HIXSLMJOSJGKFC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-056845
O=C(Nc1ccc(F)c(F)c1F)c1cc2c(s1)CCC2	CoCoCo_3357618,EMOLS-id_3326789,PC-id_2447834,MCULE-6161117831,ZINC22_3331752	297.296	KFLJTGUKPHYXRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056846
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)C(F)F	EMOLS-id_314890688,PC-id_43145469	297.299	DEHCXNLCHMAGTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056847
c12CN(Cc1nn(CC(F)F)c2C#C)C(=O)OC(C)(C)C	MCULE-6904871517,EMOLS-id_324362081	297.3	XLPOAIXWEWQWAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056848
CCOOCc1cc2c([nH]1)C(CC2)(OC(=O)C)OC(=O)C	PC-id_88256283,SCHEMBL8154811	297.304	ZOARDPSFXHBGJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056849
C=Cc1ccc(cc1)C(=O)c1ccc2n1CCC2OC(=O)O	PC-id_70449743,SCHEMBL10814885	297.305	XPXDTXYNKVZGCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056850
CC(=O)c1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	CHEMBL273364,PC-id_13487061	297.305	DMCJZCGEKRFHQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056851
COc1cc(F)ccc1S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316423787,MCULE-1449184900	297.305	MQTNDXSHJUNXBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056852
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCC(=O)OC(C)(C)C)C	PC-id_23081265,SCHEMBL5539141	297.307	ROLCFJMBISTHRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056853
OCCn1nc2c(c1C(=O)O)CN(C2)C(=O)OC(C)(C)C	PC-id_105528583	297.307	NNRQDMDZOSBZQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056854
OCCn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)O	PC-id_105528584	297.307	WUFIKJVHKITQFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056855
OC(=O)CCn1[nH]c2c(c1=O)CN(C2)C(=O)OC(C)(C)C	PC-id_105528587	297.307	ZNBJZOYTZQOARY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056856
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)N	PC-id_27485729	297.307	TYOMUKFHACNIDJ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-056857
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCO)C(=O)[O-]	PC-id_8057415	297.307	FNCOOPAMHXWIKQ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-056858
N#Cc1nc2n(c1C)CC(O2)COc1ccc(cc1)C(=O)C	PC-id_140261691	297.309	ASNOTFHQKFRQMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056859
O=C1OC(CC1C(=O)N1CCn2c1ncc2)c1ccccc1	EMOLS-id_279043819	297.309	XEBSRSFLSWBQQU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056860
Cc1onc(n1)c1cccc(c1)OCc1nnc2n1CCC2	EMOLS-id_318909483	297.312	ZVUZEVMJSGGEEX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056861
CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)C=Cc1ccncc1	PC-id_87455913,SCHEMBL2924641,SCHEMBL2924640	297.312	MRCLEAVMNKWHHE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056862
CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)C=Cc1cnccc1	SCHEMBL2919055,PC-id_87455435	297.312	FJFIIBXTIPTKSQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056863
Cn1nc(c2c1CN(C2)C(=O)c1ccco1)Cn1cncc1	PC-id_97519204	297.312	SEKIHTBIDYRCOF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-056864
Cn1nc(Cn2cccn2)c2c1CN(C(=O)c1ccco1)C2	PC-id_97405329,EMOLS-id_46182015,ZINC22_96084503	297.312	IIZCVPWOVBTXHM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-056865
Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccoc1)C2	EMOLS-id_44369762,PC-id_97519195,ZINC22_96259106	297.312	NFHYEWBYKOGIAN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-056866
Oc1cccc(c1)c1noc(n1)CNC1CCn2c1ncc2	MCULE-9870804517,EMOLS-id_320244333	297.312	PQHITZQPOBVWKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056867
O=C(c1cn[nH]c1c1ccco1)NC1CC(n2c1ncc2)C	EMOLS-id_319412837	297.312	JMXFHWBSBIJNIA-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-056868
O=C(c1cn[nH]c1c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319345819	297.312	NNHUYKHLRWIGMW-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-056869
O=C(c1cn[nH]c1c1ccco1)NCc1n[nH]c2c1CCC2	EMOLS-id_320033490,MCULE-6516951705	297.312	FYMUMSLTWQMPHD-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-056870
O=C(c1n[nH]c(c1)c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319437185	297.312	XEHIWLHSCPYNAX-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-056871
O=C(c1n[nH]c(c1)c1ccco1)NCc1n[nH]c2c1CCC2	EMOLS-id_318855829	297.312	YLIPEIQHAOYEJW-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-056872
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccccc2)C1)N	SCHEMBL2921690,PC-id_68441677	297.312	UEMRPAVEEYCEFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056873
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2ccccc2)C1)N	SCHEMBL2924974,PC-id_68443032	297.312	UEMRPAVEEYCEFV-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056874
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)/C=Cc1cccnc1	SCHEMBL2919052	297.312	FJFIIBXTIPTKSQ-PLNGDYQASA-N	00000010100000101001000010000000000000000000000000000000	25-01-056875
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)/C=Cc1ccncc1	SCHEMBL2924637	297.312	MRCLEAVMNKWHHE-IHWYPQMZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-056876
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)/C=Cc1ccccc1	SCHEMBL2921684	297.312	UEMRPAVEEYCEFV-SREVYHEPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056877
Cn1nc(c2c1CN(C2)C(=O)c1ccn[nH]1)Cn1cccn1	PC-id_97413569	297.315	IXGZBSMUSHXENO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056878
O=C(N1Cc2c(C1)c(nn2C)Cn1ccnc1)c1[nH]ncc1	PC-id_97405328	297.315	LHBATCDVEGXGEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056879
Cn1cc(c(n1)C(F)F)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318665319	297.324	RIEOALGWCMLWIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056880
O=C(c1ccsc1C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318951501	297.324	ZZCRJJLIMGYXAO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056881
O=C(c1cscc1C(F)F)NCc1cnc2n1CCC2	EMOLS-id_319039263	297.324	ITRLOADAQPXDCB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-056882
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C)C(=O)OC	MCULE-8486609750,EMOLS-id_1129786,BAS-03752704,STOCK2S-62162,PC-id_2920126	297.327	YJQVAXYSBAAHLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056883
c1(NC(=O)CCC(=O)O)sc2c(CCC2)c1C(=O)OC	BAS-00675463,SPECS-id_AT-084/J161729,SPECS-id_AN-153/I120925,EMOLS-id_828192,PC-id_3115388,ZINC22_4298548,CoCoCo_116408,MCULE-2782208395	297.327	QHJPFVCKBIQIHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056884
CCOC(=O)c1c(NC(=O)C(O)C=O)sc2CCCc12	MCULE-5907597626,EMOLS-id_328045468	297.327	DITHYLWRPVGBGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056885
CCOC(=O)c1c(NC(=O)C(=O)OC)sc2CCCc12	PC-id_46094671,MCULE-8699377110,EMOLS-id_25512380	297.327	PPDAXWCYUUYXOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056886
COC(=O)c1c(NC(=O)C(C(=O)O)C)sc2c1CCC2	PC-id_114897198	297.327	ANQUVWNPYQJMKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056887
COC(=O)c1c(NC(=O)C)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_306209,PC-id_7126043,ZINC22_4194030	297.327	YJQVAXYSBAAHLH-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056888
COC(=O)c1c(NC(=O)C)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_4194029,PC-id_7126044,CoCoCo_306210	297.327	YJQVAXYSBAAHLH-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056889
s1c2CCCc2cc1C(=O)NC(CCC(=O)O)C(=O)O	PC-id_60657082	297.327	LIXPJQOWGZWMPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056890
s1c2CCCc2cc1C(=O)NC(CC(=O)OC)C(=O)O	PC-id_76989860	297.327	SSRFNPREXGYYJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056891
s1c2CCCc2cc1C(=O)N[C@@H](CCC(=O)O)C(=O)O	PC-id_61153748	297.327	LIXPJQOWGZWMPL-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056892
s1c2CCCc2cc1C(=O)N[C@@H](CC(=O)OC)C(=O)O	PC-id_63307150	297.327	SSRFNPREXGYYJO-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056893
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)OCC	PC-id_4330632	297.327	LEGRGWGVTLKWMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056894
s1c2c(CCC2)c(c1NC(=O)C1OCCOC1)C(=O)O	PC-id_43359891	297.327	BNAPXZSDSJYJSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056895
s1c2c(CCC2)c(c1NC(=O)CC(=O)OC)C(=O)OC	PC-id_28637899	297.327	BBIHZPSUQPRUEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056896
s1c2c(CCC2)c(c1NC(=O)CC(=O)O)C(=O)OCC	PC-id_62230392	297.327	RNVIMHRASLCWFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056897
s1c2c(CN(C(CCC(=O)OC)C(=O)OC)C2=O)cc1	PC-id_85159271	297.327	QQZQLUMQKMHFGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056898
s1c2c(CN([C@@H](CCC(=O)OC)C(=O)OC)C2=O)cc1	PC-id_10494222	297.327	QQZQLUMQKMHFGG-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-056899
s1c2CN(C(CCC(=O)OC)C(=O)OC)C(=O)c2cc1	PC-id_85232148	297.327	IUOXJPSBEPDPGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056900
s1c2CN([C@@H](CCC(=O)OC)C(=O)OC)C(=O)c2cc1	PC-id_10685411	297.327	IUOXJPSBEPDPGS-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-056901
c1(NC(=O)C(=O)NCCO)sc2c(CCC2)c1C(=O)N	STOCK6S-14285,CoCoCo_6533817,EMOLS-id_4746005,ZINC22_6758847,PC-id_8070879,MCULE-5588360845	297.33	MSIDVTZNYRPGGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056902
O=C1CCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112099100	297.33	MBZRICCGRIVMRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056903
s1c2c(CCC2)c(c1NC(=O)C(NC(=O)N)C)C(=O)O	PC-id_43172352	297.33	HZZNGFRJNBHKHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056904
s1c2CCCc2nc1NC(=O)N1C(CC(O)C1)C(=O)O	PC-id_61509918	297.33	BLRMETHSTGBVCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056905
s1c2CCCc2nc1NC(=O)N1CC(OCC1)C(=O)O	PC-id_61736459	297.33	MEVUWSSPGXQIKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056906
s1c2CCCc2nc1NC(=O)N1C(COCC1)C(=O)O	PC-id_65529674	297.33	KDQMSTHXXLCSFF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056907
s1c2CCCc2nc1NC(=O)N1[C@@H](C[C@@H](O)C1)C(=O)O	PC-id_63843729	297.33	BLRMETHSTGBVCC-SVRRBLITSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056908
s1c2CCCc2nc1NC(=O)N1[C@@H](C[C@H](O)C1)C(=O)O	PC-id_64713402	297.33	BLRMETHSTGBVCC-XPUUQOCRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056909
s1c2CCCc2nc1NC(=O)N1[C@H](C[C@@H](O)C1)C(=O)O	PC-id_78999667	297.33	BLRMETHSTGBVCC-HTRCEHHLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056910
s1c2CCCc2nc1NC(=O)N1[C@@H](CC(O)C1)C(=O)O	PC-id_61509878	297.33	BLRMETHSTGBVCC-XDKWHASVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056911
s1c2CCCc2nc1NC(=O)NC1(CCOC1)C(=O)O	PC-id_64892252	297.33	XZNIEDIUUPUCBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056912
s1c2CCCc2nc1NC(=O)NC1C(COC1)C(=O)O	PC-id_66239767	297.33	HYOPGLBOAZGBPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056913
s1c2CCCc2nc1NC(=O)NC(=O)CCCC(=O)O	PC-id_61512199	297.33	SLMGWRGYZXVECE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056914
c1(C#N)c2CCCc2sc1/N=C/c1ccc(cc1)N(=O)=O	MCULE-2447560475,TIMTEC408635,CoCoCo_1894472,PC-id_9595347,EMOLS-id_26811863,ZINC22_58427	297.332	QPNRNNJVFCYBMC-RQZCQDPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056915
c1(C#N)c2CCCc2sc1N=Cc1cccc(c1)N(=O)=O	MCULE-4716414711,PC-id_5218906	297.332	FQHLNFSWCKZTHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056916
c1(C#N)c2CCCc2sc1N=Cc1ccc(cc1)N(=O)=O	PC-id_626664,MCULE-2944133709	297.332	QPNRNNJVFCYBMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056917
N#Cc1c(/N=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_1894473	297.332	QPNRNNJVFCYBMC-MFOYZWKCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056918
N#Cc1c(/N=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_1911460	297.332	FQHLNFSWCKZTHQ-MFOYZWKCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056919
[O-][N+](=O)c1cccc(/C=N/c2sc3CCCc3c2C#N)c1	PC-id_9612561,EMOLS-id_27029817,CoCoCo_1911459	297.332	FQHLNFSWCKZTHQ-RQZCQDPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056920
CC(c1nnc(o1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97704539	297.333	JUVODLFZKVLKLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056921
Cc1noc(n1)C(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100192710	297.334	JEOSHXQOKQVWRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056922
Nc1noc(c1S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101317327	297.334	GQBHIESTDRLUBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056923
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c([nH]nc1)N	PC-id_61114576	297.337	VYFWAOVTAILBJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-056924
CNC(c1ccc(c(c1F)F)F)c1sc2c(c1)CCC2	PC-id_115855097	297.339	KYLGTRHOLRWRBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056925
CNC(c1cc(F)c(cc1F)F)c1sc2c(c1)CCC2	PC-id_103302143	297.339	AYPZDALYJLWOHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056926
Fc1cc(F)c(cc1CNCc1sc2c(c1)CCC2)F	PC-id_103792943	297.339	IYJYILRFWISKID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056927
NC(c1ccccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_115853816	297.339	KWCVLZNTTULDGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056928
NC(c1sc2c(c1)CCC2)c1cccc(c1)C(F)(F)F	PC-id_115850615	297.339	COOGMTAJRXTEOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056929
NC(c1sc2c(c1)CCC2)c1ccc(cc1)C(F)(F)F	PC-id_115852122	297.339	RRZGLTSNEROGPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056930
s1c2c(CCC2)cc1CNc1c(cccc1)C(F)(F)F	PC-id_63540389	297.339	BTBDLGBLOIWIIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056931
s1c2CCCc2cc1CNc1ccc(cc1)C(F)(F)F	PC-id_63540541	297.339	TYTDINOKRSHSEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056932
s1c2c(CCC2)cc1CNCc1cc(F)c(F)c(F)c1	PC-id_63050887	297.339	CQOUWODBWVTKFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056933
s1c2c(CCC2)cc1C(NC)c1c(F)cc(F)cc1F	PC-id_43483148	297.339	UMGKKRLPADDRCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056934
c1(C(F)F)c2CCCc2n(CC(=O)N2CCCCC2C)n1	MCULE-2474771784,PC-id_19590877	297.344	NFAFYSXRWWCQAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056935
c1(C(F)F)c2CCCc2n(CC(=O)N2CCC(CC2)C)n1	PC-id_19591220,ZINC22_36614194,TIMTEC411143,EMOLS-id_8867982,MCULE-2610560681	297.344	QSJGDWGKYADMCY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056936
c1(C(F)F)c2CCCc2n(CC(=O)N2CCCC(C)C2)n1	MCULE-6344777151,PC-id_19591246,EMOLS-id_8868036	297.344	PQPMMPWDPPFTDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056937
C[C@@H]1CCCCN1C(=O)Cn1nc(C(F)F)c2c1CCC2	PC-id_51853099,ZINC22_36613741	297.344	NFAFYSXRWWCQAJ-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056938
C[C@H]1CCCCN1C(=O)Cn1nc(C(F)F)c2c1CCC2	PC-id_51853100,ZINC22_36613742	297.344	NFAFYSXRWWCQAJ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-056939
C[C@@H]1CCCN(C(=O)Cn2nc(C(F)F)c3c2CCC3)C1	PC-id_51853310,ZINC22_36614218	297.344	PQPMMPWDPPFTDJ-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056940
C[C@H]1CCCN(C(=O)Cn2nc(C(F)F)c3c2CCC3)C1	PC-id_51853311,ZINC22_36614219	297.344	PQPMMPWDPPFTDJ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-056941
FC(CN1CCC(C1)CNC(=O)c1[nH]c2c(c1)CCC2)F	EMOLS-id_320140835,MCULE-4215673375	297.344	KJXAEHPDTBJZHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056942
O=C(CC1CCC(CC1)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318949118	297.344	CWWALVQXYHLARN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-056943
FC(C1CCN(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O	EMOLS-id_319529710	297.345	MESOXCPESHIISZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056944
FCC1(CCN(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O	EMOLS-id_319897003,MCULE-9050085632	297.345	VBPSLBMXJDLCCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-056945
CCc1cc2n(c1C(=O)c1ccc(cc1)C)CCC2C(=O)O	SCHEMBL11602473,PC-id_20351582	297.348	XKKUVLZJWVZDIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056946
CCc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_20351673,SCHEMBL11603497	297.348	BEAIOCUFLUHLDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056947
CC(C1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)O)C	SCHEMBL9673850,PC-id_67903537	297.348	QRDJZBJAQXCCBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056948
CCCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	SCHEMBL11603343,PC-id_20351661	297.348	UGOAOJFWTNLHOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056949
CCCc1ccccc1C(=O)c1ccc2n1CCC2C(=O)O	PC-id_20351649,SCHEMBL11603665	297.348	UMXAQTCHMOSYFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056950
CCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccccc1	SCHEMBL7677909,PC-id_53807619	297.348	FMVGWBPVXLKNQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056951
CCCCC1C(=O)Oc2c1n(C)c(c2)C(=O)c1ccccc1	PC-id_53915187,SCHEMBL7678095	297.348	IGNNKXDVYLHAPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056952
CCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_610834,SCHEMBL11603740	297.348	RFJBUHZBMZQPHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056953
CC(C)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL9673842,EMOLS-id_330943686,MCULE-9201627740,PC-id_13486970	297.348	KOBKQDLSHXZXIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056954
CC(C)OC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_34069268,PC-id_102304609	297.348	KOBKQDLSHXZXIJ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056955
CC(C)OC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_34069269	297.348	KOBKQDLSHXZXIJ-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056956
CCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C	SCHEMBL11603669,PC-id_20351605	297.348	UTYPQPUMIGWMOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056957
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)C(=O)C	SCHEMBL2076793,PC-id_59180064	297.348	RXMAEORXKPRQRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056958
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C)C	SCHEMBL11006812,PC-id_20404986	297.348	IYYWXFKRUNBWPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056959
O=C1N(CCCCc2ccccc2)C(=O)c2c1c(C)oc2C	PC-id_117998386,SCHEMBL16623381	297.348	AKHATXCKUKAQPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056960
O=C(c1c2c(n(c1CC(=O)O)Cc1ccccc1)CCC2)C	PC-id_10469907	297.348	LLCMFVGJPNOLIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056961
O=C(c1n(c2c(CCC2)c1)Cc1ccccc1)C(=O)OCC	PC-id_10447337	297.348	VWKKSOQFHZUWAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056962
O=C(c1occ2c1CCC2)N[C@@H]1CCO[C@H]1c1ccccc1	EMOLS-id_318542967	297.348	XEYAWFRAIGBIQV-CVEARBPZSA-N	00000010100000110000100010000000000000000000000000000000	25-01-056963
OC(=O)C1CCn2c1ccc2C(=O)CCCc1ccccc1	PC-id_85749643	297.348	ANHXLYWWXXZOEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056964
O(C(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1)CCC	PC-id_11594553	297.348	RFJBUHZBMZQPHX-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056965
NS(=O)(=O)c1c(Cc2ccccc2)sc2c1OCO2	PC-id_69933278,SCHEMBL6904683	297.35	TVRPNLQDFAMVNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056966
NS(=O)(=O)c1sc2c(c1Cc1ccccc1)OCO2	SCHEMBL6908277,PC-id_69934102	297.35	RHRRDPWAHUJXBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056967
O=C(c1sc2c(c1)CS(=O)(=O)C2)NCc1ccco1	CoCoCo_2175344,PC-id_20882719	297.35	UHTQSEBXLUNQFE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-056968
O=S1(=O)Cc2ccn(S(=O)(=O)c3ccccc3)c2C1	CNP0070551,ZINC22_3848622,MDPI-id_17156,PC-id_2753357	297.35	WYCFOUUBYFJBSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056969
O=S(=O)(c1scc2c1OCO2)NCc1ccccc1	SCHEMBL6908271,PC-id_69934100	297.35	XVVLBDTZMMCTFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056970
c1(c2CCCc2n[nH]1)C(=O)N1CCOC(c2ccccc2)C1	EMOLS-id_44756478,MCULE-7758613231,EMOLS-id_49404414,STOCK7S-38210,PC-id_71703805	297.352	RRHVBHQNBIGVAB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056971
C1(c2ccccc2)(CC1)C(=O)N1Cc2c(n(nc2)CCO)C1	MCULE-7452520542,PC-id_56740339,ZINC22_67515016,EMOLS-id_36568565	297.352	ZSMLCUIRJYJNQZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056972
Cc1ccc(c(c1)C(=O)CCC(=O)N1CCn2c1ncc2)C	EMOLS-id_258164431,MCULE-6642309980	297.352	UZWNIRGSEFVONG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056973
CCCCOc1ccc(cc1)C=C1C(C)n2c(C1=O)ncn2	MCULE-5485901229,EMOLS-id_258063840	297.352	JIIXIQGFJMSSDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056974
CC(Oc1ccc(cc1)C(=O)NN=C1CCn2c1ccc2)C	PC-id_71899691,EMOLS-id_44522116,MCULE-7169273196	297.352	YQYZENFUGFAXID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-056975
Cn1ncc(c1)C1=CCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_319168675	297.352	TWAYLEQGNDDFPX-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-056976
COc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1OC	MCULE-1619747723,EMOLS-id_330998207	297.352	ZAXMFTCFBVNGQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056977
COc1ccc(Cn2nc3CCC(C)c3c2C#N)c(OC)c1	EMOLS-id_330998463,MCULE-1437458047	297.352	UKYWSNVDVWRFEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056978
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1OC	MCULE-5273734979,EMOLS-id_331021556	297.352	HIRWZQQWHFLBDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056979
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)c(OC)c1	EMOLS-id_331021812,MCULE-7283566666	297.352	BTZWTHCRAQXFNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056980
N#Cc1cn2c(n1)O[C@@H](C2)COc1ccc(cc1)C(C)(C)C	PC-id_140261678	297.352	MYUOGDBMCGCLBL-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-056981
Oc1ccc(cc1)C1(CC1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319554711	297.352	MMHSUSWUWXDLHB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056982
Oc1ccc(cc1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_48990441,PC-id_84583363,MCULE-9953091007	297.352	MKVUOMRCLMFCMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056983
OC1CN(C(C1)c1ccccc1)C(=O)c1cnn2c1CCC2	EMOLS-id_101845300	297.352	PKZQFPGXQVUOIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056984
OC1CN(C(C1)c1ccccc1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101845303	297.352	XWKHXMYEWUKUCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056985
O=C(C1(CC1)Oc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318906948	297.352	TXQOSZPXYGQELV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056986
O=C(C1(CC1)Oc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319263744	297.352	LWYDWAMDVCQRRY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056987
O=C(c1cc2n(n1)CCO2)NC1(CC1(C)C)c1ccccc1	EMOLS-id_318507599	297.352	QIAKEMLLUIHFOR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-056988
O=C(c1cc2n(n1)CCO2)NC1(CCCC1)c1ccccc1	EMOLS-id_318607676	297.352	PDEJOCNZSPMWPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056989
O=C(c1ccccc1OC1CC1)NCc1cnc2n1CCC2	EMOLS-id_320077564,MCULE-7219793278	297.352	ASYZYNGLIDJVGS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056990
O=C(c1ccccc1OC1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318831826	297.352	DLHUYRPKYUGKJM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-056991
O=C(c1cnc2n1CCC2)Nc1ccc(cc1)C1COCC1	EMOLS-id_318447005	297.352	GEORKTCKGWMMPO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056992
O=C(c1cnn2c1CCC2)Nc1ccc(cc1)C1COCC1	EMOLS-id_318452973	297.352	IXMJYJLDAKEMFR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056993
O=C(c1n(C)nc2c1CCC2)N[C@@H]1CO[C@H]1c1ccccc1	EMOLS-id_318880475	297.352	AMSUTSQDIOMCFH-ZBFHGGJFSA-N	00001010100000110001100010000000000000000000000000000000	25-01-056994
O=C(c1[nH]nc2c1CCC2)N1CCO[C@H](c2ccccc2)C1	PC-id_97264601,ZINC22_95475037	297.352	RRHVBHQNBIGVAB-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056995
O=C(c1[nH]nc2c1CCC2)N1CCO[C@@H](c2ccccc2)C1	ZINC22_95475038,PC-id_97264602	297.352	RRHVBHQNBIGVAB-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-056996
O=C(c1nn2c(c1)CCC2)Nc1ccc(cc1)C1COCC1	EMOLS-id_318766038	297.352	DSGREIDBMWSBPU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056997
O=C(c1nn2c(c1)OCC2)NC1CCCC1c1ccccc1	EMOLS-id_318433673	297.352	XSQAGIWVCDHWAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056998
O=C(c1nn2c(c1)OCC2)N[C@@H]1CCC[C@@H]1c1ccccc1	EMOLS-id_318627127	297.352	XSQAGIWVCDHWAZ-ZIAGYGMSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-056999
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1ccc(O)cc1	PC-id_97206739,ZINC22_95385757	297.352	MKVUOMRCLMFCMN-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057000
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1ccc(O)cc1	ZINC22_95385758,PC-id_97206740	297.352	MKVUOMRCLMFCMN-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057001
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](C1)Oc1ccccc1	EMOLS-id_318592482	297.352	YYTRZPXKXNFBJB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057002
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](C1)Oc1ccccc1	EMOLS-id_318755127	297.352	YYTRZPXKXNFBJB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057003
O=C(c1oc2c(n1)CN(C2)Cc1ccccc1)NCC1CC1	PC-id_97407308	297.352	GUHFHUHBCOXBRO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-057004
O=C(c1occ2c1CCC2)N1CCCCC1c1ncccn1	MCULE-5413014660,EMOLS-id_320280329	297.352	JYGHGEKEMOFBOI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057005
O=C(c1occ2c1CCC2)Nc1ccc(cn1)N1CCCC1	EMOLS-id_318400380	297.352	RIIOIWBOUIJEST-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-057006
O=C(c1occ2c1CCC2)Nc1cccnc1N1CCCC1	EMOLS-id_318473252	297.352	PYKYRBZXCMEWEX-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-057007
O(C(C)C)c1ccc(C(=O)N/N=C/CCn3c2ccc3)cc1	PC-id_75362246	297.352	YQYZENFUGFAXID-SDXDJHTJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057008
O[C@@H]1C[C@](C1)(c1ccccc1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316539988	297.352	NCZHSKPGGAQABU-KDYLLFBJSA-N	00001010100000110001100010000000000000000000000000000000	25-01-057009
O[C@@H]1C[C@@](C1)(C(=O)NC1CCn2c1ncc2)c1ccccc1	EMOLS-id_278833767	297.352	NHERFFCCKKSODE-UZKOHGSISA-N	00001010100000110001100010000000000000000000000000000000	25-01-057010
O=C(N1CCc2c(C31CCC3)[nH]cn2)c1occ2c1CCC2	EMOLS-id_279125232	297.352	KNKNBKFVSDOYSY-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-057011
O=C(NS(=O)(=O)c1ccsc1)c1cnn2c1CCC2	EMOLS-id_316919915,MCULE-9000241243,ZINC22_835227297	297.353	AQMLEYSKDQRZPX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057012
OC(=O)C1CCc2c1nc(s2)NCc1csc(=O)[nH]1	PC-id_106384060	297.353	XFDVMGWIIJWBDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057013
s1c2CCCc2nc1NS(=O)(=O)c1c[nH]ccc1=O	PC-id_64274507	297.353	ZUQMXUULBVBYQV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057014
s1c2CCCc2nc1NS(=O)(=O)c1c[nH]c(=O)cc1	PC-id_61510136	297.353	WTGRPUDFIDPSTH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057015
S(=O)(=O)(Nc1sc2CCCc2n1)C1C=CC(=O)N=C1	PC-id_76905642	297.353	XRSZWAPLKYOTJV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-057016
S(=O)(=O)(Nc1sc2CCCc2n1)C1C(=O)C=CN=C1	PC-id_77035525	297.353	PVEGKJSKXLGOAY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-057017
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1cncc(C)n1	PC-id_110096283,MCULE-2379263684,BDE-30146630,EMOLS-id_43244772	297.355	UCYGMHATAOCRET-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-057018
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(c2ccncn2)C1	PC-id_77080614,EMOLS-id_43244774,MCULE-5367464720	297.355	NHLACMRDIXHANF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057019
c1(cn2c(CCC2)n1)C(=O)N1CCN(c2ccccn2)CC1	EMOLS-id_321294807,MCULE-9812837244	297.355	HKTRDOUYTCIZOP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057020
c1(CN(C)Cc2ccc(c3cc[nH]n3)o2)c2CCCc2[nH]n1	EMOLS-id_49675606,ZINC22_97759286,MCULE-7217175435,PC-id_74248100	297.355	UKTSAYAETHGHCG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-057021
c1(C(=O)NN=Cc2ccc(cc2)N(C)C)c2CCCc2[nH]n1	EMOLS-id_299982487,PC-id_5399692,MCULE-1871319445	297.355	AVWWMYMXWTUPDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057022
CC1C(=Cc2cnc(cc2)N(C)C(C)C)C(=O)c2ncnn12	MCULE-6249300670,PC-id_136555940,EMOLS-id_316940343	297.355	IRYOZRWOBPPDKG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057023
Cc1cc(C)nc(n1)C1CN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_319119792	297.355	ZTDTXMMMSBTNNS-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-057024
Cc1cc(C)nc(n1)C1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319891858,MCULE-8071889728	297.355	WSFCXQUTDJGOTA-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-057025
Cc1cncc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_257309936	297.355	UCYGMHATAOCRET-AWEZNQCLSA-N	00000010100000100001100010000000000000000000000000000000	25-01-057026
Cc1cncc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_257309937	297.355	UCYGMHATAOCRET-CQSZACIVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-057027
Cc1ncc(c(n1)C1CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319118398	297.355	URDKAXBAIBASIU-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-057028
CC(C)N(C)c1ccc(/C=C/2C(=O)c3ncnn3[C@H]2C)cn1	ZINC22_864086704	297.355	IRYOZRWOBPPDKG-HKMIMPICSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057029
CC(C)N(C)c1ccc(/C=C/2C(=O)c3ncnn3[C@@H]2C)cn1	ZINC22_864086705	297.355	IRYOZRWOBPPDKG-NUBYWOLOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057030
Cn1nc2c(c1NC(=O)c1ccc(NC3CC3)nc1)CCC2	MCULE-7218084387,EMOLS-id_44503846,ZINC22_65893921,PC-id_71936267	297.355	CRTVGAYXSCKBHI-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-057031
Cn1ncc(c1)C1=CCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-8943407655,EMOLS-id_320093477	297.355	ACSNJFALCCLTIQ-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-057032
CN(C)c1ccc(/C=N/NC(=O)c2n[nH]c3CCCc23)cc1	CoCoCo_1696412,STOCK3S-34388,EMOLS-id_640674,PC-id_6863955,CoCoCo_1696410,TIMTEC64559	297.355	AVWWMYMXWTUPDB-LICLKQGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057033
CN(C(=O)c1nccc(c1)C1CC1)Cc1nnc2n1CCC2	EMOLS-id_319486387	297.355	INEZYAFAKFRBKI-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-057034
COC1=Nn2c(C1=Nc1ccc(cc1C)N(C)C)ncc2C	SCHEMBL14342455	297.355	GCCCKNGFXWOMNU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-057035
N[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319553827	297.355	LEUNRFNDVJUURJ-IKCIUXDWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057036
O=C1CCCN1c1cccc(c1)NC1CC(n2c1ncn2)C	EMOLS-id_318496140	297.355	LBHZPAWKNRUBAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057037
O=C1CC(CN1c1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_318604267,MCULE-3976953519	297.355	FYXDNSIRVBMRGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057038
O=C1CCCN1c1ccc(nc1)NCc1cnc2n1CCC2	MCULE-9572282178,EMOLS-id_318208370	297.355	BBQSSIAWJJJWKE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-057039
O(C1=Nn2c(ncc2C)/C/1=N/c1c(cc(N(C)C)cc1)C)C	PC-id_58776979	297.355	GCCCKNGFXWOMNU-JXAWBTAJSA-N	00000011100000110001000010000000000000000000000000000000	25-01-057040
O=C(c1c2c(CCC2)[nH]n1)N1CCN(c2ncccc2)CC1	EMOLS-id_110529282,MCULE-2743030041,PC-id_110388860	297.355	IKMMQXPVMMCLSE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057041
O=C(C1(CC1)Nc1ccccc1)NC1CC(n2c1ncn2)C	MCULE-2637143511,EMOLS-id_316440380	297.355	DKYAMTWPCUVBRI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-057042
O=C(c1ccc(nc1)NC1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320016161,MCULE-3738025811	297.355	XSFSTFOCKJTOPT-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-057043
O=C(c1ccnc(c1)NC1CCC1)NC1CCn2c1ncc2	EMOLS-id_320033638,MCULE-8145303960	297.355	WSYLKYTWNMBEAD-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-057044
O=C(c1cnc2n1CCC2)N1CCCCC1c1ncccn1	EMOLS-id_318861078	297.355	DVTKZJQVXVLHCW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057045
O=C(c1cnn2c1CCC2)N1CCCCC1c1ncccn1	EMOLS-id_320269686,MCULE-3217574507	297.355	ZIRIQUDCFSAQQY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057046
O=C(C1NCc2c1c[nH]n2)NC1CC(C1)Nc1ccccc1	EMOLS-id_319126637	297.355	OHYYULJLRYBZOW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-057047
O=C(c1ncccc1NCC1CCC1)N1Cc2c(C1)cn[nH]2	EMOLS-id_319443738	297.355	UYOOLCCOSGLUSJ-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-057048
O=C(c1n(C)nc2c1CCC2)N1CCC(C1)c1ncccn1	EMOLS-id_319575619	297.355	VYYUOUBZSJALOZ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-057049
O=C(c1n(C)nc2c1CCC2)NC1CN(C1)c1ccccn1	EMOLS-id_318989650	297.355	LUBRSGKAJWOVNT-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-057050
O=C(c1[nH]nc2c1CCC2)N/N=Cc1ccc(cc1)N(C)C	CoCoCo_1696413,CoCoCo_1696411,SPECS-id_AT-225/NB33018	297.355	AVWWMYMXWTUPDB-YVLHZVERSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057051
O=C(c1n[nH]c2c1CCC2)N1CCCCC1c1ncccn1	EMOLS-id_318844496	297.355	JHPZZYVHEUEDND-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057052
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2ccncn2)C1	ZINC22_215117761,PC-id_99928333	297.355	NHLACMRDIXHANF-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057053
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2ccncn2)C1	ZINC22_215117808,PC-id_99928334	297.355	NHLACMRDIXHANF-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-057054
O=C(c1n[nH]c2c1CCC2)N1CCNCC1c1cccnc1	PC-id_120731983	297.355	UCCBWODKINSCNK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057055
O=C(c1n[nH]c2c1CCC2)N1CCNCC1c1ccncc1	EMOLS-id_102108629	297.355	OBBQOUIGVPRPOH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057056
O=C(c1n[nH]c2c1CN(C2)Cc1cccnc1)N1CCCC1	PC-id_97461977	297.355	CHQCOJBVWGLQBI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057057
O=C(N1Cc2c(C1)cnn2C)c1ccc(nc1)NCC1CC1	EMOLS-id_318180002,MCULE-1143652859	297.355	LBFQBTWHBHLCDO-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-057058
O=C(N1Cc2c(C1)cnn2C)c1ccnc(c1)NC1CCC1	EMOLS-id_318482787,MCULE-1837300073	297.355	XNPPJDCAPFPLHJ-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-057059
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)C1CC1	EMOLS-id_319292872	297.355	ISJXMYYOTKQLSK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-057060
O=C(N1CCc2c(C31CCC3)[nH]cn2)c1cn2c(n1)CCC2	EMOLS-id_319938679,MCULE-8090333962	297.355	XACCQCBVXPDPSW-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-057061
O=C(N1CCc2c(C31CCC3)[nH]cn2)c1cnn2c1CCC2	EMOLS-id_320102709,MCULE-8920107792	297.355	SIBWJOHDYVZPCY-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-057062
O=C(N1CCCCC1c1ncccn1)c1cn2c(n1)CCC2	EMOLS-id_318908316	297.355	AZBGJMHBPOUKQZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057063
O=C(N1CCn2c1ccn2)c1ncccc1NCC1CCC1	EMOLS-id_319294973	297.355	DIUBQYRLMLNOBW-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-057064
O=C(N1CCn2c1ncc2)Nc1ccccc1N1CCCC1	EMOLS-id_319889075,MCULE-7426579695	297.355	SJGJEOKKOLQWON-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057065
O=C(N1CCn2c1ncc2)Nc1cccc(c1)N1CCCC1	EMOLS-id_320032377,MCULE-5718809423	297.355	JXGUOGYYGJULFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057066
O=C(Nc1ccccc1)c1nc2n(CCC2)c1/N=C/N(C)C	PC-id_71739341	297.355	OHGQFUGMNAGXFY-GZTJUZNOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057067
O=C(Nc1ccccc1)c1nc2n(CCC2)c1N=CN(C)C	PC-id_78165451	297.355	OHGQFUGMNAGXFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057068
s1c2CCCc2nc1NS(=O)(=O)c1cnc(nc1)N	PC-id_62152921	297.357	CZWQQBWVCJNBRK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057069
c12CN(Cc1scc2C(=O)OCC)C(=O)OC(C)(C)C	EMOLS-id_331067169,MCULE-4557214551	297.37	YUMJOCIQTFMUPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057070
c1(C(=O)OCC)c2CCCc2sc1NCC(C)C(=O)O	MCULE-4569550464,PC-id_82310367	297.37	WMVIVHCUCPLCKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057071
c1(NC(=O)OCCCC)sc2c(CCC2)c1C(=O)OC	ZINC22_4040511,SPECS-id_AE-641/15338104,EMOLS-id_1863147,MCULE-9137096162,CHEMBL1456266,PC-id_2790144,CoCoCo_1763618,CHEBI:105891	297.37	CAVOCRZWSBMIPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057072
s1c2CCCc2cc1C(=O)OCC(=O)NC(COC)C	PC-id_45637933	297.37	HLHWLSSMLQHDSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057094
c1(NC(=O)OCCC)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL1303512,EMOLS-id_662915,TIMTEC367196,PC-id_2787359,CoCoCo_1720490,ZINC22_3959099,CHEMBL1303512,MCULE-1010556953	297.37	OVJROZBSCRSJQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057073
Cc1cn2C(CSc2c1C(=O)OC(C)C)CC(=O)OC	PC-id_86745569	297.37	DHZJGRJJWBLIBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057074
CCC(C(=O)Nc1sc2c(c1C(=O)O)CCC2)(OC)C	PC-id_105733941	297.37	SESLBZPCRWFPLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057075
CCOC(=O)c1c(CC(=O)NCCO)sc2c1CCC2	EMOLS-id_15765520,MCULE-9375816053,ZINC22_26895480,CoCoCo_6062874,PC-id_34177159	297.37	SRWHMTKIHOPGRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057076
CCOC(=O)c1c(NC(=O)CCCO)sc2CCCc12	PC-id_79191540,EMOLS-id_327863800,MCULE-9273424343	297.37	CARGGJAAYIIGDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057077
CCOC(=O)c1c(NC(=O)CCOC)sc2CCCc12	EMOLS-id_328006548,MCULE-5718212351	297.37	DERYQYXCIOZUAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057078
CCOC(=O)c1c(NC(=O)C(OC)C)sc2c1CCC2	PC-id_115587518	297.37	RWZIXTSFMWDDOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057079
CCOC(=O)c1c(N)sc2c1[C@@](C)(CC2)C(=O)OCC	CoCoCo_5738815,PC-id_101692947,NSC671476	297.37	FGMKGQCGPZRWDW-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057080
CCOC(=O)c1c(N)sc2c1[C@](C)(CC2)C(=O)OCC	PC-id_101692948,CoCoCo_5738816	297.37	FGMKGQCGPZRWDW-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057081
CCOC(=O)C1Sc2n(C1)cc(c2C(=O)OC(C)C)C	PC-id_139944679	297.37	QCCGSIXJTCMUOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057082
CCOC(=O)CC1CCc2sc(N)c(C(=O)OCC)c12	EMOLS-id_71011967,MCULE-6627897947,PC-id_59379370,SCHEMBL10325006	297.37	JFNLFGRUFOBOPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057083
COC(CCC(=O)Nc1sc2c(c1C(=O)O)CCC2)C	PC-id_104160623	297.37	UQLBFIQIQABDCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057084
COC(CC(=O)Nc1sc2c(c1C(=O)O)CCC2)(C)C	PC-id_103018183	297.37	BKYRNXHVNNSOOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057085
COCC(NC(=O)c1sc2c(c1)CCC2)(CC(=O)O)C	MCULE-3871997458,EMOLS-id_53682399,PC-id_120214891	297.37	QCOOILPHLXCOEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057086
COC(=O)c1c(NC(=O)COC(C)C)sc2c1CCC2	PC-id_115609864	297.37	QPVKVHCMGPWKAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057087
COC(=O)c1c(sc2c1CCC2)NC(=O)C(OC)(C)C	PC-id_103029117	297.37	FOJMRUXDRQGGKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057088
CS(=O)(=O)CC1(CNC(=O)c2occ3c2CCC3)CC1	EMOLS-id_177218784,MCULE-3114427725,ZINC22_585081794	297.37	CJSQQNYKYZOZFG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-057089
Fc1ccc(cc1)C1=CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_318817046,MCULE-7450881130	297.37	GMMQXJWSJRXQNZ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-057090
OCC(NC(=O)c1sc2c(c1)CCC2)CC1OCCO1	EMOLS-id_320338180,MCULE-5696029037	297.37	ZOUIEROZLBMDOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057091
O=C(Nc1sc2c(c1C(=O)O)CCC2)COC(C)(C)C	PC-id_115949213	297.37	CSPGLUIOPADTQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057092
s1c2CCCc2cc1C(=O)NC(CCCOC)C(=O)O	PC-id_81077330	297.37	SFUPGWZWJCNHHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057093
s1c2CCCc2cc1C(=O)OC(C(=O)NCCOC)C	PC-id_78674799	297.37	GMKVKQPLBXCERK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057095
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCCOC)C	PC-id_8359058	297.37	GMKVKQPLBXCERK-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-057096
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCCOC)C	PC-id_8359069	297.37	GMKVKQPLBXCERK-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057097
s1c2c(CCC2)c(c1N(CCC(=O)O)C)C(=O)OCC	PC-id_82310148	297.37	GKWRBGLCGIDGPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057098
s1c2c(CCC2)c(c1NCCC(=O)OC)C(=O)OCC	PC-id_82316802	297.37	UAZQFWLYXLJQBK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057099
s1c2c(CCC2)c(c1NC(=O)CCCCO)C(=O)OC	PC-id_79199372	297.37	XVXIKGPZAINJKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057100
s1c2c(CCC2)c(c1NC(=O)CC(COC)C)C(=O)O	PC-id_80363251	297.37	JQLPZYSJGMOKNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057101
s1c2c(CCC2)c(c1NC(=O)CCCOCC)C(=O)O	PC-id_80363338	297.37	DBPMLGQVUZIXTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057102
s1c2c(CCC2)c(c1NC(=O)CCC(O)C)C(=O)OC	PC-id_79192322	297.37	VKVUAIKYGGCILT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057103
s1c2c(CCC2)c(c1NC(=O)CCOCCC)C(=O)O	PC-id_62686601	297.37	NAXPSFOJEBEXHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057104
s1c2c(CCC2)c(c1NC(=O)COCC)C(=O)OCC	PC-id_60718435	297.37	OAVKUDMNLKBWHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057105
s1c2c(CCC2)c(c1NC(=O)OC(C)(C)C)C(=O)OC	PC-id_65142580	297.37	YBGWFHKZTGZILR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057106
s1c2c(C(CC2)(C)C(=O)OCC)c(c1N)C(=O)OCC	PC-id_383362	297.37	FGMKGQCGPZRWDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057107
S1C(c2n(C1C)c(c(c2C(=O)OC)C(=O)OC)C)(C)C	PC-id_73840963	297.37	OFVSAENINXKWAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057108
S1C(c2n([C@@H]1C)c(c(c2C(=O)OC)C(=O)OC)C)(C)C	PC-id_21787175	297.37	OFVSAENINXKWAV-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057109
S1C(c2n([C@H]1C)c(c(c2C(=O)OC)C(=O)OC)C)(C)C	PC-id_21787176	297.37	OFVSAENINXKWAV-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057110
S1[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(C)C	PC-id_11312533	297.37	FHEQVFLPQMBPTP-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057111
S1C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(C)C	PC-id_72796878	297.37	FHEQVFLPQMBPTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057112
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C#CCO	PC-id_60800497	297.371	SUIZEXJAXPDQJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057113
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C#CCO	PC-id_60803106	297.371	IKDNECJJRYLKOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057114
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C#CCO	PC-id_60804152	297.371	IBOWPQCTLDTPED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057115
CN1CCC(CC1)(F)C(N1Cc2c(C1(C)C)[nH]nc2N)O	SCHEMBL19200775	297.372	GAKCZOKQRIYSEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057116
OCC1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9459101,PC-id_19759904	297.372	FPCYXDQVEWDBLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057117
s1c2CCCc2cc1C(=O)C(c1ccc(OC)cc1)C#N	PC-id_43334349	297.372	AIKDAJDSEPTXFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057118
s1c2CCCc2cc1C(=O)C(c1cc(OC)ccc1)C#N	PC-id_61261811	297.372	POYWQPPCDCNPIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057119
s1c2CCCc2cc1C(=O)C(c1c(OC)cccc1)C#N	PC-id_43334486	297.372	XQQNSAIUZRYLNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057120
c12CN(Cc1sc(N)c2C(=O)NC)C(=O)OC(C)(C)C	MCULE-6942592897,EMOLS-id_331067171	297.373	QAIGLTGBXHGDKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057121
c1(C(=O)N(C)C2CCS(=O)(=O)C2)c2CCCc2n(C)n1	MCULE-2120986693,PC-id_110389023,EMOLS-id_179745133	297.373	POFUTBMHOFVOGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057122
c1(C(=O)N(CC)C2CCS(=O)(=O)C2)cn2c(CCC2)n1	MCULE-6870041315,EMOLS-id_321295830	297.373	YRGGAMKVXHYXTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057123
c1(C(=O)N[C@@H](CCSC)C(=O)OC)c2CCCc2[nH]n1	MCULE-6845404346,EMOLS-id_323257015	297.373	BVJMJIOGWSTJFG-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-057124
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)NCCN	MCULE-8504549853,PC-id_39162863	297.373	GOQKPBLVBKTLKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057125
c1(NC(=O)C(=O)OCC)c2CSCc2nn1C(C)(C)C	PC-id_33676597,CoCoCo_5089867,ZINC22_26420917,EMOLS-id_27512368,MCULE-8421984892	297.373	SJTGMCYRFGAIDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057126
CC1CN(CCS(=O)(=O)C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100847790	297.373	WYIAWBSSKLMELI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057127
CCC1(C)CC1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389672	297.373	YRXYYXXRJZGVHU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057128
CCCC[C@@H](C(=O)O)NC(=O)Nc1sc2c(n1)CCC2	PC-id_107145747	297.373	KVMYGYWYPPPQDP-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-057129
CC(=C)C(C(=O)NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_112096988	297.373	FGQLDLMRJIRSAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057130
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101329839	297.373	WZDMTFIFAFAKJU-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-057131
CCCNC(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288427	297.373	IOVKPFPXWVGURO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057132
CCCNC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288509	297.373	PUIQEGSOXKOABW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057133
CC(CNC(=O)CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104381677	297.373	FXLUBSHNPBMOBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057134
CCN(C1CCS(=O)(=O)C1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_43566471,MCULE-3786193717,PC-id_70724431	297.373	YMPWFHAXHILFNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057135
CCN([C@@H]1COC[C@H]1O)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319574201	297.373	GCQHJVYLNOYIDV-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057136
CC(NC(=O)CCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104430297	297.373	DMUIIVSZTMSPBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057137
CCN(C(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_103113818	297.373	NIXBBUMAFYMOBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057138
CCN(C(=O)CNc1nc2c(s1)CCC2C(=O)O)CC	PC-id_104387741	297.373	RMORYVFSUDLDEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057139
CC(NC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104403683	297.373	UZZMDDTUGOXVLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057140
CCNC(=O)CNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287980	297.373	YYTZCWOBKVMBBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057141
CCOC(=O)C1CCc2c1nc(s2)NCCCC(=O)N	PC-id_104288036	297.373	LHACIZFUHIZYKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057142
CCOC(=O)C1CCc2c1nc(s2)NCCC(=O)NC	PC-id_104288359	297.373	LKBWTGAPOCCGCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057143
CCOC(=O)C1CCc2c1nc(s2)NC(CC(=O)N)C	PC-id_116307355	297.373	UHBYJRLMYRNOIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057144
CCOC(=O)C1CCc2c1nc(s2)NCCNC(=O)C	PC-id_104287924	297.373	FMVSFWOVRJELRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057145
CCOC(=O)C1CCc2c1nc(s2)NCC(=O)N(C)C	PC-id_104287856	297.373	CKRFFMOWFIQNEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057146
CCOC(=O)C1CCc2c1nc(s2)NC(C(=O)NC)C	PC-id_104288379	297.373	OQJUABXHCSUBJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057147
CCOC(=O)C1CCc2c1nc(s2)NC(C(=O)N)(C)C	PC-id_104288463	297.373	OKTDAWTVSZJDHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057148
CCOC(=O)C1CCc2c1nc(s2)NN1CCOCC1	PC-id_104289221	297.373	NVIDGQPGLWTIRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057149
CN1CCOC(C1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104289014	297.373	IKGGHTMLGNQSJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057150
CNC(=O)C(CNc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_106280447	297.373	MYMYHRMQIIUVBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057151
COCC1=CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100236493	297.373	FIPNGBBMERZONU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-057152
O=C(C1CC1)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C	CoCoCo_4982148,PC-id_5124223	297.373	OIKMFBBEOLZCCK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057153
O=C(C1(CCC1)S(=O)(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319395272	297.373	RRSDIDZJRSXNLH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057154
O=C(C1(C)CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375536	297.373	ILLHDEHSMAIGQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057155
O=C(C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057140	297.373	UWEPCBHRVQCDSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057156
O=C(C1CCCCS1(=O)=O)Nc1n(C)nc2c1CCC2	EMOLS-id_111058661	297.373	RKIMSHGXTNDJOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057157
O=C(C1CCCCS1(=O)=O)NCc1cnc2n1CCC2	EMOLS-id_320150541,MCULE-4307335578	297.373	JTRZGTOTOKQYRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057158
OCC1CN(C(C1)CO)C(=O)Nc1sc2c(n1)CCC2	MCULE-6940685744,EMOLS-id_319853433	297.373	VWFHKWODYGYXCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057159
O=C(c1n[nH]c2c1CCC2)N1CCC(S(=O)(=O)CC1)C	EMOLS-id_100743132	297.373	UBLHCTRZWXQSCZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057160
O=C(c1n[nH]c2c1CCC2)NCC1CCCCS1(=O)=O	EMOLS-id_99354667	297.373	BRICKLIOSLQYKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057161
O=C(c1n[nH]c2c1CCC2)NCC1CCCS(=O)(=O)C1	EMOLS-id_98870320	297.373	NEECARQTJANFFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057162
O=C(C(C1CC1)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111567672	297.373	SLLFFWZTZAKRGJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057163
O=C(C(C1CCC1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112091732	297.373	BOGSBESTQMGKEI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057164
O=C(Nc1sc2c(n1)C(CC2)(C)C)N[C@@H]1COC[C@H]1O	EMOLS-id_102010821	297.373	FGDMOUSUGONONA-HTQZYQBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057165
O=C(Nc1sc2c(n1)CCC2)NC1CC[C@H]([C@H](C1)O)O	EMOLS-id_320299147,MCULE-8960289159	297.373	RWUNUENULBUZJT-MKSVKPQVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057166
O=C(Nc1sc2c(n1)CCC2)NCCCC(C(=O)O)C	PC-id_104686428	297.373	XOMGAMVMWIMHDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057167
O=C(NC(C)(C)C)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104289165	297.373	UYTIZTNYLDGCKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057168
O=C(NC[C@@H]1C[C@H](O)CCO1)Nc1nc2c(s1)CCC2	ZINC22_1875282575	297.373	KCWSAXNETHOTTK-BDAKNGLRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057169
O=C(N[C@H](C(C)(C)C)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_103927802	297.373	JZXZFRZCWNOYMP-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-057170
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCC1	EMOLS-id_112057155	297.373	ZCRJIRGQTZMVOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057171
OC(=O)C1CCc2c1nc(s2)NCCN1CCOCC1	PC-id_104287624	297.373	AASMLWGXAWYBFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057172
O=S(=O)(C1CC1)N1Cc2[nH]nc(COCC3CC3)c2C1	ZINC22_96260220,PC-id_97520298,EMOLS-id_44371986	297.373	AAMUIESHRSUBQJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057173
O=S(=O)(c1cnc2n1CCC2)N1CCOCC1C1CC1	EMOLS-id_100218913	297.373	HEMANUQNMDOMOX-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-057174
s1c2CCCc2nc1NC(=O)NCCCCCC(=O)O	PC-id_61509874	297.373	GAJQEWGDVFJZFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057175
s1c2CCCc2nc1NC(=O)NC(CC(C)C)C(=O)O	PC-id_61509920	297.373	UPERZULQVZMZOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057176
s1c2CCCc2nc1NC(=O)NC(C(CC)C)C(=O)O	PC-id_61509997	297.373	NTUXWZYEEPKWTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057177
s1c2CCCc2nc1NC(=O)NC(C(C)(C)C)C(=O)O	PC-id_61510169	297.373	JZXZFRZCWNOYMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057178
s1c2CCCc2nc1NC(=O)NC(CCCC)C(=O)O	PC-id_61510211	297.373	KVMYGYWYPPPQDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057179
s1c2CCCc2nc1NC(=O)NC(CCC)(C)C(=O)O	PC-id_61510258	297.373	KEXOMDWTPWZKAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057180
s1c2CCCc2nc1NC(=O)N(C(C)C)CCC(=O)O	PC-id_61510335	297.373	YHJABPPQQXGGDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057181
s1c2CCCc2nc1NC(=O)N(C(CC)C)CC(=O)O	PC-id_61510374	297.373	YDPJZWGKLCQQOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057182
s1c2CCCc2nc1NC(=O)N(CC(C)C)CC(=O)O	PC-id_63066863	297.373	PZIJJSDUYJAXDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057183
s1c2CCCc2nc1NC(=O)NCC(CCC)C(=O)O	PC-id_65220711	297.373	VXYRXSTVQCDFGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057184
s1c2CCCc2nc1NC(=O)NCC(C(C)C)C(=O)O	PC-id_65220759	297.373	IQHZWJKXBSZZRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057185
s1c2CCCc2nc1NC(=O)N(C(C)(C)C)CC(=O)O	PC-id_79256435	297.373	DHMJDDWUSFOGMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057186
s1c2CCCc2nc1NC(=O)NC(CC)(CC)C(=O)O	PC-id_79803586	297.373	SMCIEQNLBLAPBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057187
s1c2CCCc2nc1NC(=O)NCC(CC)CC(=O)O	PC-id_81069277	297.373	OBLLXLZAFXMYLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057188
s1c2CCCc2nc1NC(=O)NCC(CC)(C)C(=O)O	PC-id_81948554	297.373	RKZPXVBZVZMEDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057189
s1c2CCCc2nc1NC(=O)NC(CCC)CC(=O)O	PC-id_81978877	297.373	UTTWPICBVIRTBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057190
s1c2CCCc2nc1NC(=O)NC(C(C)C)CC(=O)O	PC-id_81983132	297.373	HJFMCMJYOCMUDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057191
s1c2CCCc2nc1NC(=O)NCC(CCC(=O)O)C	PC-id_82688969	297.373	IQSZUSZFAWZMAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057192
s1c2CCCc2nc1NC(=O)NC(CCCC(=O)O)C	PC-id_82848748	297.373	ADMOOLYWRHZULZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057193
s1c2CCCc2nc1NC(=O)NC(CCC(=O)O)(C)C	PC-id_62049272	297.373	CGFROWMOLBYQBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057194
s1c2CCCc2nc1NC(=O)N(C(C)(C)C(=O)O)CC	PC-id_62820796	297.373	GXAJKBJSUSFLDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057195
s1c2CCCc2nc1NC(=O)N(CC(C)C(=O)O)CC	PC-id_62854108	297.373	RBKVQLVWMAYICX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057196
s1c2CCCc2nc1NC(=O)N(C(CC(=O)O)C)CC	PC-id_62825744	297.373	RTHOIDVTFSVXTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057197
s1c2CCCc2nc1NC(=O)N[C@@H](CC(C)C)C(=O)O	PC-id_61509877	297.373	UPERZULQVZMZOO-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-057198
s1c2CCCc2nc1NC(=O)N[C@@H](C(C)(C)C)C(=O)O	PC-id_61509960	297.373	JZXZFRZCWNOYMP-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057199
s1c2CCCc2nc1NC(=O)N[C@@H](C(CC)C)C(=O)O	PC-id_61509999	297.373	NTUXWZYEEPKWTJ-MHPPCMCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057200
s1c2CCCc2nc1NC(=O)N[C@H](CC(C)C)C(=O)O	PC-id_78976512	297.373	UPERZULQVZMZOO-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057201
s1c2CCCc2nc1NC(=O)N[C@@H]([C@H](CC)C)C(=O)O	PC-id_61509837	297.373	NTUXWZYEEPKWTJ-XVKPBYJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057202
c1(cccc(C)c1N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328171533,MCULE-6004603637,PC-id_61116930	297.375	JAZNVXMNKSBQTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057203
c1(NC(=O)Nc2ccc(cc2)C)sc2c(CCC2)c1C#N	ZINC22_28228097,CoCoCo_6453796,EMOLS-id_15294456,MCULE-8612907962,PC-id_35525154	297.375	CJEXNMXPBLUUJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057204
Cc1ccc(cc1N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328022167,MCULE-5545561616,PC-id_61117037	297.375	XLPYRQSDOTZQOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057205
Cc1cc(ccc1N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7988308979,EMOLS-id_328057535,PC-id_61117034	297.375	JDZUASIEDFOIHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057206
Cc1cc([C@H](C#N)C(=O)c2cc3c(s2)CCC3)nc(C)n1	PC-id_97004678,ZINC22_84114362	297.375	ZPXUNMPIWVXKDM-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057207
Cc1cc([C@@H](C#N)C(=O)c2cc3c(s2)CCC3)nc(C)n1	ZINC22_84114360,PC-id_97004677	297.375	ZPXUNMPIWVXKDM-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057208
Cc1ccc(N)c(c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1519993017,EMOLS-id_328137510,PC-id_64338897	297.375	OUDVEPVFCMYGRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057209
CC1CN(c2c1csc2)/C=CNc1ccc(cc1)OC#N	PC-id_144228123	297.375	QAULZIWVXXXYBS-SREVYHEPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057210
CCc1cccc(n1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318500075	297.375	TWZPNKJNFZRMFC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057211
CCc1cccnc1C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318590801	297.375	ADTHATIPXKSYOM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057212
CCc1ccnc(c1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318554561	297.375	JXQZHROOIPMIJV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057213
CCc1cncc(c1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318707044	297.375	KXYWVPLUCGHJFI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057214
CNc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7492050424,EMOLS-id_328039052	297.375	FGPVMGPCMRHVRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057215
C(=O)(Nc1sc2CCCc2c1C#N)c1ccc(CN)cc1	EMOLS-id_327963472,PC-id_61259311,MCULE-7162952422	297.375	PGEHZCLFRCLCLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057216
C(=O)(Nc1sc2CCCc2c1C#N)Cc1ccccc1N	PC-id_61116928,EMOLS-id_328160079,MCULE-7267039922	297.375	SEUOAWWADZUOFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057217
C(=O)(Nc1sc2CCCc2c1C#N)Cc1ccc(cc1)N	PC-id_61116929,EMOLS-id_327891520,MCULE-8624112526	297.375	NPFMWVDJHUQGFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057218
C(=O)(Nc1sc2CCCc2c1C#N)Cc1cccc(N)c1	MCULE-1919914551,PC-id_62499671,EMOLS-id_328173121	297.375	YJQDEDUYYNDKAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057219
C(=O)(Nc1sc2CCCc2c1C#N)CCc1cccnc1	MCULE-8626683717,EMOLS-id_328136881	297.375	JTBBWVWFGNIUIP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057220
C(=O)(Nc1sc2CCCc2c1C#N)CCc1ccncc1	EMOLS-id_328078534,MCULE-2405147970	297.375	WJHMVYDPZQYADN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057221
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)CCC	MCULE-8309821729	297.375	XTRWSJFRMXSZRD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-057222
n12nc(nc1sc(=CC(=Cc1ccccc1)C)c2=O)CC	MCULE-8357461181	297.375	LJLVZTKODVBTFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-057223
N#Cc1cccc(c1C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318646456	297.375	ODQOOKIRKUEBTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057224
N#Cc1cc(ccc1C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318672599	297.375	KNKQNXFDUZALLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057225
N#Cc1ccc(c(c1)C(=O)NCc1sc2c(n1)CCC2)C	EMOLS-id_318615789	297.375	DKLSBDSTVPQXKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057226
N#Cc1ccc(CCC(=O)Nc2nc3c(s2)CCC3)cc1	CoCoCo_4374378,EMOLS-id_31862284,PC-id_33040900,ZINC22_25769195,MCULE-9913417571	297.375	MAOYJRFULGMHLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057227
N#Cc1c(NC(=O)c2cc(C)cc(c2)N)sc2c1CCC2	PC-id_104291791	297.375	FEOQSRAMPFLDIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057228
N#Cc1c(NC(=O)Cc2ccc(nc2)C)sc2c1CCC2	EMOLS-id_318528904	297.375	OKWFODVMDGPZQO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057229
N#Cc1c(NC(=O)Cc2cnccc2C)sc2c1CCC2	EMOLS-id_318682498	297.375	YIWHDNYUHBKPKJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057230
N#Cc1c(NC(=O)[C@H](c2ccccc2)N)sc2c1CCC2	PC-id_104897670	297.375	LMSCQQVNOXIVRU-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057231
N#Cc1c(NC(=O)Nc2ccccc2C)sc2c1CCC2	CoCoCo_6400631,PC-id_35280118	297.375	HXJOKZDOYFBKHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057232
N#Cc1c(NC(=O)Nc2cccc(c2)C)sc2c1CCC2	PC-id_35766343,CoCoCo_6642337	297.375	CVIODHXECYJYPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057233
NCC#Cc1ccnc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_102821460	297.375	CMWATDVPBRRMEP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057234
N#CC(C(=O)c1sc2c(c1)CCC2)c1cc(C)nc(n1)C	MCULE-3928644187,PC-id_71940200,EMOLS-id_44497696	297.375	ZPXUNMPIWVXKDM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057235
OC(c1cnnn1c1ccccc1)c1sc2c(c1)CCC2	PC-id_115835873	297.375	FTFFFVGBUIIIBF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057236
O=C(CCc1ccccn1)Nc1sc2CCCc2c1C#N	MCULE-9738578966,EMOLS-id_328106692	297.375	JWKHQJHTCWHJAX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057237
s1c2CCCc2cc1C(=O)Nc1nc(ccc1)C#CCN	PC-id_60814582	297.375	IDQDFXGEVDOBDW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057238
s1c2CCCc2c(c1NCc1ccc(cc1)C(=O)N)C#N	PC-id_50887978	297.375	JYQIGNUOCAEAOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057239
s1c2CCCc2c(c1NC(=O)c1c(cccc1N)C)C#N	PC-id_61117038	297.375	VXKONLKOFDMYIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057240
s1c2CCCc2c(c1NC(=O)c1c(ccc(N)c1)C)C#N	PC-id_61289852	297.375	MUSATCYQHUZKSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057241
s1c2CCCc2c(c1NC(=O)c1c(cc(N)cc1)C)C#N	PC-id_61827325	297.375	FRUFKRUEPNANLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057242
s1c2CCCc2c(c1NC(=O)c1c(c(N)ccc1)C)C#N	PC-id_61117036	297.375	GWNFAEDSNLCQGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057243
s1c2CCCc2c(c1NC(=O)c1c(NC)cccc1)C#N	PC-id_61378430	297.375	RLUFXLHIRRMYBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057244
s1c2CCCc2c(c1NC(=O)[C@H](N)c1ccccc1)C#N	PC-id_61258592	297.375	LMSCQQVNOXIVRU-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057245
s1c2CCCc2c(c1NC(=O)CNc1ccccc1)C#N	PC-id_28334921	297.375	FJBFCHOLKKEJQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057246
s1c2CCCc2c(c1NC(=O)C(N)c1ccccc1)C#N	PC-id_61259666	297.375	LMSCQQVNOXIVRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057247
s1c2CCCc2nc1NC(=O)c1ccc(cc1)C#CCN	PC-id_61510307	297.375	WGULJHKAIWAZNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057248
s1c2CCCc2nc1NC(=O)c1c(cccc1)C#CCN	PC-id_61510308	297.375	QFUGNDTYXWVDPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057249
s1c2CCCc2nc1NC(=O)c1cc(ccc1)C#CCN	PC-id_61510309	297.375	KQHRIWPNVIGSIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057250
s1c2CCCc2nc1NC(=O)C(Cc1ccccc1)C#N	PC-id_61876004	297.375	ALORNICDHVRYAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057251
s1c2NC(=O)C(=CC3C(NNC3)c3ccccc3)c2cc1	PC-id_73454070	297.375	KRNZIRVWEWVBJI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057252
c1ccc(n2ncc(NCc3nc4c(s3)CCC4)n2)cc1	PC-id_146145306,ZINC22_1875284427	297.378	ZAKOJPQJPBPGPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057253
Cc1cc(NC2Cn3c(C2)cnc3)nc(n1)c1cccs1	MCULE-7933337228,EMOLS-id_316942308	297.378	TZQBHAZRLWKMRN-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-057254
Cc1cc(=N[C@@H]2Cc3cncn3C2)nc(c2cccs2)[nH]1	ZINC22_894997086	297.378	TZQBHAZRLWKMRN-LLVKDONJSA-N	00000010100100100001100010000000000000000000000000000000	25-01-057255
Cc1cc(=N[C@H]2Cc3cncn3C2)nc(c2cccs2)[nH]1	ZINC22_894997087	297.378	TZQBHAZRLWKMRN-NSHDSACASA-N	00000010100100100001100010000000000000000000000000000000	25-01-057256
s1c2CCCc2cc1CNc1n(nnn1)c1ccccc1	PC-id_61208390	297.378	XKTWDUIISUMDFO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057257
CCOC(=O)c1[nH]c2c(c1)CCC2CCCc1ccccc1	SCHEMBL1002876,PC-id_59180208	297.391	UMKUXESKPCPDDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057258
COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(cc1)C(C)C	SCHEMBL1007332,PC-id_59180211	297.391	SHZXFVMUBXDVOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057259
COC(=O)c1cc2c([nH]1)CCC2CC(c1ccccc1)(C)C	SCHEMBL1005034,PC-id_59180117	297.391	WFWMGGPVTBQHAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057260
C#CCCCS(=O)(=O)NC(=O)c1cc2c(s1)CCC2	MCULE-5737131406,PC-id_136560892,ZINC22_1775985052,EMOLS-id_316982903	297.393	GPIUGVKKNVMGDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057261
s1c2c(CCC2)cc1C(=O)N1C(CSCC1)C(=O)O	PC-id_78980567	297.393	SXJRYONPCKLCCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057262
s1c2c(CCC2)c(c1NC(=O)C1CCSC1)C(=O)O	PC-id_64164624	297.393	KDKJZWXNZLEUNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057263
s1c2c(CCC2)c(c1NC(=O)C[NH+](C)C)C(=O)OCC	PC-id_7047611	297.393	AHKCWBCTPZOQKN-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-057264
S1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_64164625	297.393	SMGGMPSKTNILRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057265
S1CC(NC(=O)c2sc3c(CCC3)c2)(CC1)C(=O)O	PC-id_61685555	297.393	WUEQLCWXSOKYOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057266
S1C(N(C(C1)C(=O)O)C(=O)c1sc2c(CCC2)c1)C	PC-id_63790890	297.393	BTMGZNNTEHVMCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057267
S(=O)(=O)(N1C(=O)C(c2c1scc2)(CC=C)CC=C)C	PC-id_11022879	297.393	VUBXLLSJRLUAJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057268
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)OCC1CC1	MCULE-3826626648,EMOLS-id_330964214	297.395	PXGNSAGZCKVLCW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-057269
c12CN(Cc1nn(CC1CCC1)c2CO)Cc1ccccc1	EMOLS-id_324347244,MCULE-5071010903	297.395	NDQAOEBWAUAYHC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-057270
c12CN(Cc1nn(CC1CCCC1)c2O)Cc1ccccc1	MCULE-5518657488,EMOLS-id_324339306	297.395	OVFYQZPMJFSCEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057271
C1CC(NCc2cnc3n2CCC3)CC(O1)c1ccccc1	EMOLS-id_318107970,MCULE-6847692315	297.395	JAUHVVMEIHQZJM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057272
C1COC(C(C1)CNC1CCn2c1ncc2)c1ccccc1	EMOLS-id_318087160,MCULE-6521165895	297.395	NUBBOJOVEZJMEZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057273
c1(C(=O)Nc2ccc(cc2)C(C)(C)C)c2CCCc2n(C)n1	EMOLS-id_320479247,PC-id_84466413,MCULE-2562218128	297.395	YEFKKVZMCGDPQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057274
c1(C(=O)Nc2ccc(cc2)CCCC)c2CCCc2n(C)n1	EMOLS-id_320480783,MCULE-1364402279,PC-id_84466419	297.395	QTXXFGSMBSLZBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057275
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)CCC)n1	EMOLS-id_331035908,MCULE-2339935536	297.395	PGHJVUDPFLUAHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057276
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2C(C)C)n1	EMOLS-id_331036940,MCULE-5267981135	297.395	NVCPNACNQXOQDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057277
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)C(C)C)n1	MCULE-2155663461,EMOLS-id_331036164	297.395	ZAMBDVOLHSIHSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057278
c1(C(=O)N)c2C(C)CCc2n(Cc2c(C)cc(cc2C)C)n1	EMOLS-id_331036684,MCULE-5785758657	297.395	AHKNFTZHCKDOOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057279
c1(C(=O)N)c2C(C)CCc2n(Cc2c(C)cc(c(C)c2)C)n1	EMOLS-id_331036428,MCULE-6755943859	297.395	KIXZSELKTXVGDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057280
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(C(C)C)c2)n1	MCULE-3924473032,EMOLS-id_331035661	297.395	SUEOBYFCXKBNSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057281
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)CCC	EMOLS-id_331017917,MCULE-7988405021	297.395	JOTKDLHACQCERU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057282
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)C(C)C	EMOLS-id_331018173,MCULE-3702626252	297.395	WKIWHRBQCDRLBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057283
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1C(C)C	EMOLS-id_331018934,MCULE-6804616579	297.395	SQSNGWCZRBUASF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057284
c1(C(=O)N)c2C(C)CCc2nn1Cc1c(C)cc(c(C)c1)C	EMOLS-id_331018422,MCULE-4744257484	297.395	SYKLKBWIEJVBBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057285
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(C(C)C)c1	EMOLS-id_331021750,MCULE-3581966242	297.395	VLQMDKZSEAXRPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057286
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1C)C	EMOLS-id_331019703,MCULE-8091838517	297.395	BVHVZBVWRLYTCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057287
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccccc1CC	EMOLS-id_331019707,MCULE-9500387782	297.395	CRKHOBITPQEPNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057288
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)CC	MCULE-6973563630,EMOLS-id_331019447	297.395	MZCKAFZYUQYJLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057289
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)C	EMOLS-id_331019191,MCULE-6210842571	297.395	FRWFJUYHKWKXCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057290
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(C)c1C	EMOLS-id_331019194,MCULE-8516741552	297.395	GZFXPHLWPSWFAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057291
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(C)ccc1C	EMOLS-id_331022009,MCULE-9688214469	297.395	CYTQLKQIYZTMBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057292
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(C)cc(C)c1	EMOLS-id_331018938,MCULE-2368845332	297.395	VFHHCPBZHHACFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057293
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(CC)c1	MCULE-7095815480,EMOLS-id_331022265	297.395	XIZZAKGLYDIFOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057294
c1(C(=O)N(C(C)C)Cc2ccccc2)c2CCCc2n(C)n1	PC-id_110389052,MCULE-6652340703,EMOLS-id_179745220	297.395	HYGCKJDSWFPFHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057295
c1(NC(=O)Cc2ccc(cc2)C(C)C)n(C)nc2CCCc12	ZINC22_36704279,CoCoCo_5273047,EMOLS-id_28214693,MCULE-8605307436,PC-id_45496989	297.395	AMPLXJDNLAFSMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057296
CC1CCc2c1c(CN)nn2Cc1cccc(OC2CC2)c1	EMOLS-id_331013629,MCULE-1157890943	297.395	AGRGFAGSDIGVIH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-057297
CC1C(=Cc2cccn12)C(C)NCc1c(cc([nH]c1=O)C)C	PC-id_134340921	297.395	YQPRODVIFGVWKL-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-057298
CC1CC(c2n1ccn2)NC1CCOC(C1)c1ccccc1	EMOLS-id_318090557,MCULE-4681513127	297.395	XXLYILOHSDHUMK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057299
CC1CC(c2n1ccn2)NC(c1ccccc1)C1CCCO1	MCULE-3058745423,EMOLS-id_318364982	297.395	UKVWRHRSASPINV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057300
CC1CC(c2n1ccn2)NCC1CCC(O1)c1ccccc1	EMOLS-id_318150157,MCULE-5583572721	297.395	LTZPKFGJTPPYJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057301
CC1CC(c2n1ccn2)NCC1(COCC1)c1ccccc1	EMOLS-id_318552633,MCULE-1945970757	297.395	BKQLYPDRGITXAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057302
CC1CC(c2n1ccn2)NC[C@@H]1CCO[C@H]1c1ccccc1	MCULE-7558575879,EMOLS-id_320300323	297.395	JWISZHQJEROPCH-PZJKJEQHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057303
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(C(=O)N)c12	MCULE-6505742849,EMOLS-id_331018678	297.395	LFWRBPGLXDGNNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057304
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(CN)c12	EMOLS-id_330995384,MCULE-7010489054	297.395	DFNAAAVHBMERLN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-057305
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(N)c12	EMOLS-id_331013283,MCULE-5780499738	297.395	VVXLNHBDGYVSFA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-057306
Cc1ccc(c(c1)C)C(N(C(=O)c1cn2c(n1)CCC2)C)C	EMOLS-id_316904367,MCULE-6500165291	297.395	SEPFOOPANLEQDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057307
Cc1ccc(cc1)CC(NC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_318488946	297.395	AZABSQNXDPZRRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057308
Cc1ccc(c(c1)C)C(N(C(=O)c1nn2c(c1)CCC2)C)C	EMOLS-id_316911185,MCULE-8244939754	297.395	VPKWTDPXCUJTFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057309
Cc1ccc(cc1)C(C(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318661217	297.395	PHAHMJBLIYISSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057310
Cc1ccc(cc1)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_320123696,MCULE-6423795556	297.395	JJAFQOCOGGGLOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057311
Cc1ccc(cc1)[C@@H]1OCCC[C@H]1NC1CCn2c1ncc2	EMOLS-id_318517345	297.395	UCYHPHBNLHIBCJ-SKQWJGTPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057312
Cc1ccc([C@H](C)N(C)C(=O)c2cc3n(n2)CCC3)c(C)c1	ZINC22_294505603	297.395	VPKWTDPXCUJTFJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057313
Cc1ccc([C@@H](C)N(C)C(=O)c2cc3n(n2)CCC3)c(C)c1	ZINC22_294505605	297.395	VPKWTDPXCUJTFJ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057314
Cc1ccc([C@H](C)N(C)C(=O)c2cn3c(n2)CCC3)c(C)c1	ZINC22_335472461	297.395	SEPFOOPANLEQDP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057315
Cc1ccc([C@@H](C)N(C)C(=O)c2cn3c(n2)CCC3)c(C)c1	ZINC22_335472462	297.395	SEPFOOPANLEQDP-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057316
CCc1ccc(cc1)C(C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_320102444,MCULE-3285794794	297.395	TZPNOXKXYADXBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057317
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1C(=O)N	EMOLS-id_331019963,MCULE-8129716420	297.395	VIDVQPRXYMSQBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057318
CC(c1nn2c(c1)CCC2)Nc1ccc(cc1)C1COCC1	EMOLS-id_318298681,MCULE-6301435603	297.395	SINROMWOWXRWRI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057319
CC(c1nn2c(c1)CCC2)N[C@@H]1CCO[C@H]1c1ccccc1	MCULE-9146988979,EMOLS-id_318773025	297.395	YYKFFPPBQCEFLM-LLJXTTFASA-N	00000010100000110001100010000000000000000000000000000000	25-01-057320
CC(Cc1ccccc1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_320224472,MCULE-3988964163	297.395	SWGNNHMGDCZZIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057321
CC(Cc1ccc(cc1)C(=O)NCc1cnc2n1CCC2)C	MCULE-8397832926,EMOLS-id_319904168	297.395	BYXSFDKHQUNGFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057322
CC(C(c1ccccc1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319305599	297.395	JJFFGDRFJNQYBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057323
CC(Cc1ccccc1C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-9989873479,EMOLS-id_320160449	297.395	VVLLTMOBGPLMNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057324
CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_563890129	297.395	VDNGOAXSDXPPBU-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057325
CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_563890133	297.395	VDNGOAXSDXPPBU-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057326
CC[C@@H](c1ccccc1)N(CC)C(=O)c1cnn2c1CCC2	ZINC22_294833060	297.395	XOUHAQIKGCQFHK-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057327
CC[C@H](c1ccccc1)N(CC)C(=O)c1cnn2c1CCC2	ZINC22_294833062	297.395	XOUHAQIKGCQFHK-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057328
CC(C(N(C(=O)c1cn2c(n1)CCC2)C)c1ccccc1)C	MCULE-4160289599,EMOLS-id_316911265	297.395	VDNGOAXSDXPPBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057329
CCC(N(C(=O)c1cnn2c1CCC2)CC)c1ccccc1	MCULE-8481419255,EMOLS-id_316909146	297.395	XOUHAQIKGCQFHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057330
CC(CN(C(=O)c1n[nH]c2c1CCC2)c1ccc(cc1)C)C	EMOLS-id_318594549	297.395	FFPICVKIPHCKLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057331
C[C@H](C1=Cc2n(C1C)ccc2)NCc1c(C)cc([nH]c1=O)C	SCHEMBL19964903	297.395	YQPRODVIFGVWKL-KWCCSABGSA-N	00000011100000101000000010000000000000000000000000000000	25-01-057332
CC(NC(=O)c1cnc2n1CCC2)Cc1cc(C)cc(c1)C	EMOLS-id_318712842	297.395	CJQFCQNYARQSPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057333
COc1ccccc1C1(CCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318522577,MCULE-8011617691	297.395	WWVCNHYWEFCOLK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-057334
COc1cccc(c1)[C@@H]1C[C@H](C1)NC1CC(n2c1ncc2)C	EMOLS-id_318559325,MCULE-5227538142	297.395	DHWFRPAOIGITAD-NVIVIFAWSA-N	00001010100000110001100010000000000000000000000000000000	25-01-057335
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCN	EMOLS-id_328215152,MCULE-2137316295	297.395	ZPCQTBOTFFHESN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057336
O1CCC(CC1)(CNC1CCn2c1ncc2)c1ccccc1	MCULE-9016887559,EMOLS-id_318084600	297.395	LWDOKFXWYYCXIG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057337
O1CCC(CC1)(NCc1cnc2n1CCC2)c1ccccc1	MCULE-8340958361,EMOLS-id_318393346	297.395	UEHYXHUFKFQJOD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057338
Oc1ccc(cc1)C1CCN(CC1)Cc1cnc2n1CCC2	EMOLS-id_318706259	297.395	LOROJTLLUQHQJI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057339
Oc1ccc(cc1)C1CCN(CC1)Cc1nn2c(c1)CCC2	EMOLS-id_318491872	297.395	TZJJJBJMRPAOAZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057340
OC1(CCCN(C1)Cc1cnc2n1CCC2)c1ccccc1	EMOLS-id_318707563	297.395	ADNPRPMBRIWJNW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057341
OC1(CCCN(C1)Cc1nn2c(c1)CCC2)c1ccccc1	EMOLS-id_318726641	297.395	RIJCUCCFEMDDIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057342
OC1(CCN(CC1)Cc1cnc2n1CCC2)c1ccccc1	EMOLS-id_318470608	297.395	SGFBYSBTAUBLNT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057343
OC1(CCN(CC1)Cc1nn2c(c1)CCC2)c1ccccc1	EMOLS-id_318745846	297.395	VRKNRIATGNOCNR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057344
O=C(c1cccc(c1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318932054	297.395	SQOOWXFDEHBAKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057345
O=C(c1ccc(cc1)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319126925	297.395	GHPXQGPZXLOFTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057346
O=C(c1cnc2n1CCC2)NCc1ccccc1C(C)(C)C	EMOLS-id_318449141	297.395	VRXZHKMDDZORKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057347
O=C(c1cnc2n1CCC2)NCc1ccc(cc1)C(C)(C)C	EMOLS-id_318465094	297.395	FUEPXFDSQMWPOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057348
O=C(c1cnn2c1CCC2)NCc1ccccc1C(C)(C)C	EMOLS-id_318445918	297.395	XBRYJXJCHFECKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057349
O=C(c1cnn2c1CCC2)NCc1ccc(cc1)C(C)(C)C	EMOLS-id_318814221	297.395	IBXOXPVRKDHOIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057350
O=C(c1nn2c(c1)CCC2)NCc1ccc(cc1)C(C)(C)C	EMOLS-id_318540942	297.395	VKGQOPUVMOQSOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057351
O=C(c1nn2c(c1)CCC2)NCc1ccccc1C(C)(C)C	EMOLS-id_318634106	297.395	NKJPIEZWWLVBDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057352
O=C(C(c1ccccc1C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318535912	297.395	KGQMUUVNSLSJJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057353
O=C(C(c1ccccc1C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319246836	297.395	SXKUHNYILRAWQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057354
O=C(Cc1c(C)cc(cc1C)C)NCc1cnc2n1CCC2	EMOLS-id_319669307	297.395	ICHMMYAFXVRXGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057355
O=C(C(Cc1ccccc1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318896776	297.395	YLONRNKODOAQOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057356
O=C(C(Cc1ccccc1C)C)NCc1cnc2n1CCC2	EMOLS-id_319489759	297.395	AMRBJLHKRFBQKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057357
O=C(CC(c1ccccc1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319659682	297.395	HBEFQNHYJRKACJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057358
O=C(CC(c1ccccc1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319229613	297.395	VQQYAUDQDPGIFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057359
O=C(C(Cc1ccc(cc1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319896889,MCULE-8214761160	297.395	CVOUFFAUGAURMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057360
O=C(Nc1c2CCCc2nn1C(C)(C)C)Cc1ccccc1	PC-id_11266480,SCHEMBL4879786	297.395	PKZARZVIPMETDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057361
O=C(NC1CC(n2c1ncc2)C)Cc1c(C)cc(cc1C)C	EMOLS-id_318674001	297.395	DFZKGFAMCKIBNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057362
O=C(Nc1n(C)nc2c1CCC2)Cc1c(C)cc(cc1C)C	EMOLS-id_318705539	297.395	HCMSOPHYYUYOGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057363
O=C(Nc1n(nc2c1CCC2)C)c1ccc(C(C)(C)C)cc1	PC-id_45536302	297.395	MPIXDYUHQMGANL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057364
O=C(NCc1ccc(C(C)C)cc1)c1n(nc2c1CCC2)C	PC-id_14536011	297.395	ZJGPGPHZNMMSJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057365
O=C(NCc1ccc(C(C)(C)C)cc1)c1n[nH]c2CCCc12	PC-id_14536068	297.395	CWSJEEWXWIEDJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057366
O=C(NCc1cnc2n1CCC2)CCc1cc(C)cc(c1)C	EMOLS-id_318842057	297.395	GHSHSXOJHXRNDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057367
Cc1cc(c(s1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	MCULE-6927065020,EMOLS-id_316420459	297.396	XQEWPGXGVMEAJE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057368
Cc1ccc(s1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320505	297.396	MRPVWOJHIWYNBU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057369
Cc1ccc(s1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318607300	297.396	LBGDZBDKMFIABG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057370
Cc1ccc(s1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319954758,MCULE-6041065984	297.396	DLIHUQWWHBMBPS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057371
Cc1ccsc1S(=O)(=O)Nc1c2c(nn1C)CCC2	MCULE-5999293749,EMOLS-id_98227943,ZINC22_328917066	297.396	RNOCQTHOOVWUCI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057372
Cc1ccsc1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318545	297.396	KQDHJMXLTDISJU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057373
Cc1csc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101317261	297.396	OAILOHOABHQHHT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057374
Cc1csc(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_101340962	297.396	URAXPWVMLZBICF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057375
Cc1csc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318874629	297.396	HCUURMBRLDYBNH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057376
CCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_568724,PC-id_959659	297.396	WYXOCJFFVCLFKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057377
Cn1nc2c(c1CNS(=O)(=O)c1cccs1)CCC2	EMOLS-id_53884705,ZINC22_225818918,MCULE-7116305267,PC-id_91819418	297.396	NJWPFOABNYUQSB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057378
s1c2c(CCC2)cc1CNS(=O)(=O)c1c([nH]nc1)C	PC-id_61208972	297.396	WEWWGSYMCPFLGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057379
s1c2c(CCC2)cc1CNS(=O)(=O)c1[nH]c(nc1)C	PC-id_64150267	297.396	XVBYVPXNPYJRDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057380
s1c2c(CCC2)c(c1NC(=O)NCC[NH+](C)C)C(=O)N	PC-id_8035125	297.396	OROKVLAFIUZZSS-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-057381
s1c2CCCc2nc1NC(=O)CCN1CCSC1=O	PC-id_46565011	297.396	ANMHEURNZQYSID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057382
C1CCC(CC1)c1ncnc(c1)NCc1cc2n(n1)CCC2	EMOLS-id_318913689	297.398	WZONJUKSGQZFQZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057383
c1ccc(cc1)N1CCC(CC1)NCc1nnc2n1CCC2	EMOLS-id_318631399,MCULE-3186797093	297.398	GIMRMTUVVBZKJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057384
c1ccc(nc1)NC1CCN(CC1)Cc1cnc2n1CCC2	MCULE-9450244853,EMOLS-id_318646635	297.398	BVVOLIGZKYLBOY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-057385
C1CCN(CC1)c1ccc(cn1)NCc1cnc2n1CCC2	MCULE-7238224041,EMOLS-id_318135469	297.398	ORFOSPGOFROEAA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057386
C1CCN(CC1)c1ccc(nc1)NCc1cnc2n1CCC2	EMOLS-id_318054330,MCULE-1163244285	297.398	YLWUEQSMCCTTLT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057387
C1CCN(CC1)c1ccnc(c1)NCc1cnc2n1CCC2	EMOLS-id_318594123,MCULE-5925668686	297.398	MQDWDBPBMYJOIN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057388
C1CC(NCc2nnc3n2CCC3)CC(C1)c1cccnc1	EMOLS-id_318629147,MCULE-5887996341	297.398	UAVQQGQAWSXLIU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057389
c1(CN2CCN(CC2)Cc2ccccc2)nnc2CCCn12	EMOLS-id_337844345,MCULE-4480497778	297.398	NRRQBEAZFXTCNT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-057390
CC1CC(c2n1ccn2)Nc1ccc(cn1)N1CCCCC1	MCULE-6063671831,EMOLS-id_318358072	297.398	WZOCIIVSAMMJQW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057391
CC1CC(c2n1ccn2)Nc1ccc(nc1)N1CCCCC1	EMOLS-id_317981558,MCULE-4728017041	297.398	PRFLTVZUVKRVDM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057392
CC1CC(c2n1ccn2)NC1CCN(CC1)c1ccccn1	EMOLS-id_317961978	297.398	VRLLWXUBEYIRKY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057393
CC1CC(c2n1ccn2)NC1CCN(CC1)c1ccncc1	EMOLS-id_318754002	297.398	FFIDSRZFQKWNRH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057394
CC1CC(c2n1ccn2)NCc1cccnc1N1CCCC1	MCULE-2583392504,EMOLS-id_318056629	297.398	XWWFKHSPGJMRDR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-057395
CC1CC(c2n1ncn2)Nc1cccc(c1)N1CCCCC1	EMOLS-id_318686505,MCULE-7164359293	297.398	RMKKMONWZPAWNM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057396
CC1CC(c2n1ncn2)NC1CCCN(C1)c1ccccc1	EMOLS-id_318722503	297.398	XKWLQKPNVYJAEJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057397
CC1CC(c2n1ncn2)NC1CCN(C1)Cc1ccccc1	MCULE-1130136843,EMOLS-id_318601524	297.398	HVRAGCGDTGUFAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057398
CC(c1nn2c(c1)CCC2)NC1CCN(C1)c1ccccn1	MCULE-3619484887,EMOLS-id_318366795	297.398	CUDLYZFMZCXUEA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-057399
n1ccc(cc1)N1CCC(CC1)CNC1CCn2c1ncc2	MCULE-6115671129,EMOLS-id_318362425	297.398	LXXKFEWRJGFKQA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057400
n1ccc(cc1)N1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318616345,MCULE-5104295074	297.398	BFWMHEFTYRNLGV-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057401
CCCCCCCCC1=NS(=O)(=O)c2c1c(C)oc2C	SCHEMBL17339819,PC-id_118579475	297.413	FZLBEEZHXIPIMX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-057402
CCOC(=O)C1CCc2c1nc(s2)C(C(C)(C)C)OC	PC-id_116705339	297.413	MQIAJYJGXARWAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057403
CCOC(=O)C1CCc2c1nc(s2)C(C(C)C)OCC	PC-id_116705341	297.413	ZPEIIRMQHJUGQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057404
CCOC(=O)C1CCc2c1nc(s2)C(OCC)CCC	PC-id_116705342	297.413	PTRHUWOPRZQWQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057405
CCOC(=O)C1CCc2c1nc(s2)C(OC)(CC)CC	PC-id_116744616	297.413	KXEPNOLVGIRBTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057406
CCOC(=O)C1CCc2c1nc(s2)C(OCC)(CC)C	PC-id_116744617	297.413	TVODCKCQRQDNJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057407
OC(CNC(=O)c1sc2c(c1)CCC2)COCC(C)C	PC-id_112302614	297.413	DEXWQLIGJWLYOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057408
O=C(OC(C)(C)C)Nc1csc2c1C(C)(C)OC2(C)C	PC-id_114749442	297.413	KZBGETFYVJGDED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057409
s1c2C(OC(c2c(c1N)C(=O)OC(C)(C)C)(C)C)(C)C	PC-id_81824609	297.413	XMWKEKHVJUMZOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057410
s1c2CCCc2cc1CNCc1c(OCC#C)cccc1	PC-id_61207586	297.415	GSPHYTOJXCCRIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057411
c12CS(=O)(=O)Cc1sc(=S)n2Cc1ccccc1	TIMTEC251258,CoCoCo_6411235,MCULE-7017851755,ZINC22_497270,STOCK5S-19561,PC-id_912989,EMOLS-id_2749461	297.416	JVZSXMXLFVIWDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057412
c1(NC(=O)CCCC)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160277,ChEMBL-DNDi_CHEMBLF0561-0199,EMOLS-id_5442579,MCULE-6082047617	297.416	QOSXMXDFPMRVCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057413
Cc1c2CN(Cc2nn1S(=O)(=O)C1(CC1)C)C(C)(C)C	SCHEMBL15159367,PC-id_89728291	297.416	YKVJFKMHJNQNFX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057414
CC1(C)C(C1(C)C)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100399799	297.416	MVSSXRQPPDWFBN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057415
CC1CC(C1)(C)CS(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319690299	297.416	HXDBDYKCVFVWHS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057416
CC1CC(C1)(C)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320320084	297.416	HNTCOUYZPBBTKP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057417
CC1CC(c2n1ccn2)NS(=O)(=O)CC1CCCCC1	EMOLS-id_101320421	297.416	HLJMWTSIZWJYLP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057418
CC1CC(c2n1ccn2)NS(=O)(=O)CCC1CCCC1	EMOLS-id_101317267	297.416	FSYSQLFRCQCLOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057419
CC1CCC(C1)CS(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319423829	297.416	VFGPKYPUFAHRKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057420
CC1CCC(C1)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319543393	297.416	SXGPYZRCRQSEGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057421
CC1CCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100186476	297.416	VEVMTAPZMWPEAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057422
CC1CCC(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188558	297.416	WLYSIUSFVINRFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057423
CC1CCCCC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100190700	297.416	SXDBPXDOAIYGMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057424
CC1(C)CCCC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98032703	297.416	PXYKHFHZYKYTJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057425
CC1(CCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99498959	297.416	KNKPXPRNCFYNON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057426
CC1CCCC(C1)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319064113	297.416	QULSMTDEAUTQMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057427
CC1CCCC(C1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_102431580	297.416	FHKXJWNZKRBUFV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057428
CC1CCCCC1N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_102590354	297.416	BWLLSWGECQJQMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057429
CC1CCC(CC1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_102681096	297.416	NOLZJGLKJLRYDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057430
CC1CCCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101104982	297.416	LYBCXSYRELAEDP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057431
CC1(C)CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238014	297.416	DJGMDWKVTPXJOD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057432
CC1CCN(CC1(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100233139	297.416	XJUKSZKBPOLPCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057433
CC1CN(CC(C1)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100210870	297.416	GKVPTZZPKQPULW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057434
CC(C1CCC1)(CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101309335	297.416	SSOPCXZDDDHPSA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057435
CCC1(CCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100243048	297.416	CEPVOVDBNAYPOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057436
CC(C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100215952	297.416	WWOLLWMESWIXSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057437
CC(C1CCCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100224742	297.416	AFDBUUGWKRZFEO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057438
CCC1(CC)CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226131	297.416	IZYYQRSANMDQNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057439
CCC1(C)CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242757	297.416	KBBZWDNLLCLKTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057440
CCC1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184862	297.416	OEZUVMYGUPYQLZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057441
CCC1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100192713	297.416	VCBQPGNHTZWFGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057442
CC(C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100244530	297.416	WWRADCMENZPASL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057443
CC(C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100240531	297.416	MUXVHYRUSNZFBZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057444
CC(C1N(CC1(C)C)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100780303	297.416	NWCSNORLSOSKMY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057445
CCC(C1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101326218	297.416	HQLIXJZFNRHFLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057446
CCCC1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100213261	297.416	WBEUGBNYRNGAOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057447
CC(CC1CCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100188585	297.416	DLVUAIIYDIEZHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057448
CCCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242949	297.416	SXTKERDAWMLCQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057449
CC(CC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100218355	297.416	CYBHQCSMSMPUPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057450
CCC(C1N(Cc2c1nc(s2)N)C(=O)OC(C)(C)C)C	PC-id_137796043,EMOLS-id_302091722	297.416	PVFIULMIHRLDLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057451
CCCCC(=O)Nc1c2c(nn1C(C)(C)C)C[S@](=O)C2	PC-id_11877654,ZINC22_2724910,CoCoCo_4985032	297.416	QOSXMXDFPMRVCT-HXUWFJFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057452
CCCCC(=O)Nc1c2c(nn1C(C)(C)C)C[S@@](=O)C2	ZINC22_4105853,CoCoCo_4985031,PC-id_11863815	297.416	QOSXMXDFPMRVCT-FQEVSTJZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057453
CCCCN(CC(=O)Nc1sc2c(n1)CCC2)CCO	PC-id_111434303	297.416	VEJDNSRHFRQITB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057454
CC(CC(=O)Nc1n(nc2c1C[S@](=O)C2)C(C)(C)C)C	PC-id_11863793,CoCoCo_4984885	297.416	AJHBQHFAGAIWRK-FQEVSTJZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057455
CC(CC(=O)Nc1n(nc2c1C[S@@](=O)C2)C(C)(C)C)C	PC-id_11877625,CoCoCo_4984886	297.416	AJHBQHFAGAIWRK-HXUWFJFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057456
CC(CC(=O)Nc1n(nc2c1CS(=O)C2)C(C)(C)C)C	PC-id_2160237,ChEMBL-DNDi_CHEMBLF0561-0100	297.416	AJHBQHFAGAIWRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057457
CC[C@H](C)C1N(Cc2sc(N)nc12)C(=O)OC(C)(C)C	SCHEMBL16224768,PC-id_117688931,MCULE-2170610123,EMOLS-id_56974251	297.416	PVFIULMIHRLDLY-YMNIQAILSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057458
CCCN(c1sc2c(n1)C(CC2)C(=O)O)CCN(C)C	PC-id_104288319	297.416	QMBHCPVSLDCXNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057459
CC(CN(C(C)C)CC(=O)Nc1sc2c(n1)CCC2)O	PC-id_111434332	297.416	UIGQRULAWDYLAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057460
CCCN(CCNc1nc2c(s1)CCC2C(=O)O)CC	PC-id_105971368	297.416	ZXOXDASDYCSGOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057461
CCC(N(CCNc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_105971401	297.416	ATGHCHKNARWEDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057462
CC(C(N(S(=O)(=O)c1cnc2n1CCC2)C1CC1)C)C	EMOLS-id_100186434	297.416	GAWPSYKKJJMSDF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057463
C[C@@H]1CCC[C@H]1CS(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319446634	297.416	OFMNATHRCAYXPY-IGJPJIBNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057464
C[C@@H]1CCC[C@H]1CS(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_318966062	297.416	DCVRUBMDHMBWQF-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057465
C[C@@H]1CCC[C@H]1CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318818401	297.416	BEBWTBDXZCOHFA-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-057466
CCN(c1nc2c(s1)CCC2C(=O)O)CCCN(C)C	PC-id_102998743	297.416	QPGJTZGEFSIRSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057467
CCN(c1nc2c(s1)CCC2C(=O)O)C(CN(C)C)C	PC-id_103192409	297.416	SYBHKPDTKGNLJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057468
CCN(CCCNc1nc2c(s1)CCC2C(=O)O)CC	PC-id_104287600	297.416	PVZIACBUDYNCDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057469
CCN(CC(Nc1nc2c(s1)CCC2C(=O)O)C)CC	PC-id_104288303	297.416	BDIKWFPEAYRABX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057470
CCN(CC(O)(C)C)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111434366	297.416	FPSXEXBIYITLEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057471
CC(N(S(=O)(=O)c1cnc2n1CCC2)CC1CCC1)C	EMOLS-id_101038261	297.416	MOPJSDQODVZRBV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057472
CCOC(=O)C1CCc2c1nc(s2)NCCCN(C)C	PC-id_104287636	297.416	HMFDJKBYFKMUCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057473
CCOC(=O)C1CCc2c1nc(s2)NCC(N(C)C)C	PC-id_104288295	297.416	LOKKWODRGHAPRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057474
CCOC(=O)C1CCc2c1nc(s2)NCCN(CC)C	PC-id_104288591	297.416	OAXIDPODGCEESY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057475
CCOC(=O)C1CCc2c1nc(s2)N(CCN(C)C)C	PC-id_104288794	297.416	NHDZGFACURZDGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057476
CCOC(=O)C1CCc2c1nc(s2)NC(CN(C)C)C	PC-id_104289202	297.416	RHOPOADVKQBGCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057477
Cn1c2c(CCC2)c(n1)CN(C1CCCC1)S(=O)(=O)C	PC-id_86266603,MCULE-1584475060,EMOLS-id_50145372	297.416	CSSAIOQGVBXKHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057478
CN(C(C)C)CCCNc1nc2c(s1)CCC2C(=O)O	PC-id_106044670	297.416	BRBYUIHIMHINEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057479
CN(CC(C(C)C)Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288288	297.416	CLDNBWIRWBYBLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057480
CN(CC(CNc1nc2c(s1)CCC2C(=O)O)(C)C)C	PC-id_104287520	297.416	GSUHEOADFUJXND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057481
CN(S(=O)(=O)c1cnc2n1CCC2)C1CCCCCC1	EMOLS-id_100182249	297.416	JRVQYLYKSZROKM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057482
CN(S(=O)(=O)c1cnc2n1CCC2)CC1CCCCC1	EMOLS-id_100173929	297.416	XYXKCMRGCWCXTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057483
n1c2CCCc2sc1CCNCC1(COCCNC1)O	MCULE-1861016079,PC-id_70741995,EMOLS-id_43577225	297.416	FLVNJJRMFRIYPK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057484
O[C@@]1(CNCCc2nc3c(s2)CCC3)CNCCOC1	PC-id_96390121,ZINC22_77406987	297.416	FLVNJJRMFRIYPK-AWEZNQCLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057485
O[C@]1(CNCCc2nc3c(s2)CCC3)CNCCOC1	PC-id_96390122,ZINC22_77406988	297.416	FLVNJJRMFRIYPK-CQSZACIVSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057486
O=C(C(C)(C)C)Nc1n(nc2c1CS(=O)C2)C(C)(C)C	ChEMBL-DNDi_CHEMBLF0561-0208,PC-id_756269	297.416	ZURSRBATUNLEQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057487
O=S(=O)(c1cnc2n1CCC2)NCCC1CCCCC1	EMOLS-id_100182267	297.416	LQXVDVMRGPFFIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057488
O=S(=O)(CC1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318836115	297.416	PNCSKRWYZOTWFF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057489
S1c2n(CC1)c(c(NCCCC)n2)C(=O)OC(C)(C)C	PC-id_19017729	297.416	BYEIKGJHXZRNMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057490
S(=O)(=O)(n1cc2SCSc2c1)c1ccc(cc1)C	PC-id_86047378	297.416	PTENQTBPEUQIMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057491
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002809,MCULE-1883435538	297.418	SPZDWSHSDFLJMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057492
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005110,MCULE-6981081102	297.418	DVOCCGVIRRGGOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057493
o1c2c(c(c1C(C)C)C(N)c1ccc(C(C)C)cc1)CCC2	PC-id_83610297	297.434	AHUAROUCQYCIOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057494
o1c2c(CCC2)c(c1CCC)C(N)c1ccc(C(C)C)cc1	PC-id_83610369	297.434	VQJMMNZUAGGTJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057495
o1c(c(c2c1CCC2)C(N)c1ccc(cc1)CC)C(C)(C)C	PC-id_83610511	297.434	HEPOVASAFBJFOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057496
o1c(c(c2c1CCC2)C(N)c1c(cc(cc1)C)C)C(C)(C)C	PC-id_83610512	297.434	GQKMGCOMNWKTRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057497
o1c(c(c2c1CCC2)C(N)c1cc(c(cc1)C)C)C(C)(C)C	PC-id_83610513	297.434	CUEQYAKQWJTHLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057498
o1c(c(c2c1CCC2)C(N)c1c(ccc(c1)C)C)C(C)(C)C	PC-id_83610514	297.434	GCHOKXIZUREAMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057499
CC1CCN(CCS1=O)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102477132	297.436	SMGXSQVVXVSWHT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057500
CC1CN(CC(S1=O)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102576184	297.436	OLUQYSNQYVWFDA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057501
CC1CS(=O)CCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102835457	297.436	RTUUUIRFEUXDAM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057502
CS[C@@](c1sc(c2c1C(=O)N(C2=O)C)C)(C(C)C)C	SCHEMBL18950114	297.436	KNYBZJHQGYNKEE-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057503
O=C(c1sc2c(c1)CCC2)NCC1(O)CCSCC1	PC-id_111486592	297.436	INMJECHKOHCLNT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057504
OC(=O)C1CCc2c1nc(s2)CSC1CCCCC1	PC-id_104287328	297.436	IENPXYDGMOKGJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057505
SCCCCC(CN1c2ccsc2C(=O)C1=O)CC	SCHEMBL18699214	297.436	GWIGKGZCNYPOJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057506
CC1CCc2c1c(CN)nn2Cc1ccc(cc1)C(C)(C)C	MCULE-8851410356,EMOLS-id_331012347	297.438	RQRLLQKNTPOYMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057507
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(CN)c12	EMOLS-id_330994102,MCULE-2873251679	297.438	FSIVYFUEJWWFEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057508
Cc1cccc(c1)C(CNC(c1nn2c(c1)CCC2)C)(C)C	EMOLS-id_318175315	297.438	SOTNLASWLRBCRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057509
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1CN	MCULE-5238044197,EMOLS-id_330996159	297.438	JCRRESWEIXPYQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057510
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1CN	MCULE-8516983515,EMOLS-id_330996415	297.438	XBMYMIDLTMYAJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057511
CC(c1nn2c(c1)CCC2)NCc1ccc(cc1)C(C)(C)C	MCULE-3180882405,EMOLS-id_318373188	297.438	BPFBQTKYEQANOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057512
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_330996927,MCULE-9814242660	297.438	HMMWGKQUQHNAHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057513
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1CN	MCULE-1130371889,EMOLS-id_330996671	297.438	NNGYUOATBCTJPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057514
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1CN	MCULE-9616524783,EMOLS-id_330997938	297.438	WQAWVWIXGCQGMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057515
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2CN)cc1	EMOLS-id_330993846,MCULE-9300438258	297.438	WDPVGDORKOORLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057516
CC(C)Cc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1	EMOLS-id_331012091,MCULE-5072170049	297.438	LDFJRYCLXXZRQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057517
O=C(N1CCSCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102885468	297.439	RTRROFIAXSQVJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057518
O=C(Nc1sc2c(n1)CCC2)CSC1CCNCC1	PC-id_114627339	297.439	NBLIUBVARMTRQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057519
s1c2CCCc2cc1C(=O)NNC(=S)NC(C)(C)C	PC-id_9425645	297.439	NVMMABAABSVMOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057520
s1c2CCCc2nc1NC(=O)C(CC)(CC)C(=S)N	PC-id_61837203	297.439	PZHBDGAIHKNQSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057521
NC(=NCCc1cn2c(n1)SCC2)N1CCSCC1	PC-id_120363224	297.443	ROKMDDRDMZXYKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057522
c1cc(CNC2Cc3cscc3C2)cc(CC2CCC2)c1	ZINC22_2325841684	297.458	DAHRUYYBJVNVMG-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-057523
CCNC(C1CC1c1ccccc1)c1sc2c(c1)CCC2	PC-id_105052683	297.458	BJGNFIAMAAXMAX-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-057524
CCNC(c1sc2c(c1)CCC2)CC1Cc2c1cccc2	PC-id_105003713	297.458	JJWRZKNYYIFWFB-UHFFFAOYSA-N	00001010100000100000001010000000000000000000000000000000	25-01-057525
CNC(c1ccccc1C1CCC1)c1sc2c(c1)CCC2	PC-id_105052150	297.458	ZQNHWCIISZSFRF-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-057526
CNC(c1sc2c(c1)CCC2)c1ccc(cc1)C1CCC1	PC-id_105044808	297.458	DQCLIZUXFOYTAH-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-057527
CNC(c1sc2c(c1)CCC2)c1cccc(c1)C1CCC1	PC-id_105053574	297.458	WGVRRJWQKJMLAF-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-057528
s1c(CNC2CC(C2)c2ccc(cc2)C)cc2c1CCC2	PC-id_61208356	297.458	USCIBHVAZHANPV-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-057529
s1c(CNC2CC(C2)c2cc(ccc2)C)cc2c1CCC2	PC-id_61208554	297.458	GXZJGYASJREPAQ-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-057530
s1c(CNC2CC(C2)c2c(cccc2)C)cc2c1CCC2	PC-id_61208556	297.458	NABHOQZJCYEARG-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-057531
s1c(CNC(C2CC2)c2ccc(cc2)C)cc2c1CCC2	PC-id_61207031	297.458	ZJVJGZNPIPKQBQ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-057532
CSc1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_103359397	297.463	ZXIVKELGBMQPLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057533
[Si](c1n2C[N+](=Cc2cc1)C(C)(C)C)(c1ccccc1)(C)C	PC-id_20784338	297.49	ZMBIZXARPFVBRK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-057534
c1ccc(cc1)Cc1nnc2n1NP(=O)(N2)CCCl	PC-id_135496149	297.681	JBYMEPSGMYSGIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057535
Clc1ccc(cc1)C(CNC1CCn2c1ncc2)(F)F	MCULE-1554740761,EMOLS-id_318239952	297.731	TWLZAMYMTSNXLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057536
FC(C(c1cccc(c1)Cl)NC1CCn2c1ncc2)F	EMOLS-id_319138615	297.731	QCEULDFRUGEEEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057537
Clc1c(C(=O)N2Cc3sc(nc3C2)N)c(F)ccc1	PC-id_82194231	297.736	LXVLAMYUDSYULQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057538
Clc1c(C(=O)Nc2sc3CNCc3n2)c(F)ccc1	PC-id_82194120	297.736	OOPOKPLMHSKREE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057539
Fc1cnc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_108065833	297.736	BYELYWLBEPZWOT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057540
c1(NC(=O)CCc2onc(Cl)c2)sc2c(CCC2)n1	MCULE-2217268995,EMOLS-id_323416447	297.761	OGISMYVYAJHFAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057541
Cc1cccc(c1Cl)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320178757,MCULE-7002989587	297.761	NTSMOVIGTHXYTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057542
Cc1cccc(c1S(=O)(=O)N1Cc2c(C1)cn[nH]2)Cl	EMOLS-id_316669477	297.761	BRKOEYZTVJWESY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057543
CC(c1ccc(s1)Cl)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_99526134	297.761	HBRYASKMDVBTCB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057544
Clc1ccc(c(c1)C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317923219	297.761	SIZTWVXGCBVPHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057545
Clc1cc(ccc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318211199	297.761	YSVSQZNTHUVCPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057546
Clc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_317951052	297.761	BEQDUKQABKJADA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057547
Clc1cccnc1CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318733908	297.761	HKDOZTITNYUUDO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057548
ClS(=O)(=O)c1ccc(cc1)Cc1nnc2n1CCC2	PC-id_103585436	297.761	NTNPHCPJMOTNHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057549
O=C(Cc1c(C)noc1Cl)Nc1sc2c(n1)CCC2	EMOLS-id_318453197	297.761	AOKRCANHIDUXNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057550
FC(CCCCNC1CCc2c1cc(s2)Cl)(F)F	PC-id_115517160,EMOLS-id_315717911	297.767	ZPWUDLGOHLVWCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057551
Clc1sc2CCC(Nc3cc(F)c(OC)cc3)c2c1	PC-id_81252479	297.776	OGBWYDMJCAXPJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057552
Clc1sc2CCC(Nc3cc(OC)ccc3F)c2c1	PC-id_81251329	297.776	DVJOASZRGBBREM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057553
Clc1sc2CCC(Nc3c(OC)cc(F)cc3)c2c1	PC-id_81252595	297.776	YTMJISDHQCKYSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057554
COc1cc(ccc1F)NC1CCc2c1cc(s2)Cl	PC-id_114837645	297.776	WRLZQTMDRUXAIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057555
Clc1sc2CCC(Nc3cn(nc3)CCOC)c2c1	PC-id_81252060	297.804	DCBDXSIMLXKBJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057556
COCn1nccc1CNC1CCc2c1cc(s2)Cl	EMOLS-id_319287782	297.804	JKZTWPUMLYNPIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057557
NC(/C(=C/1C(=N)Sc2c1[nH]nc2NC1CCC1)/C)Cl	PC-id_145425251	297.807	VYPFFIZXZNMFQX-PQMNQAAHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057558
CC1(C)Sc2n(C1)/c(=Nc1ccc(cc1)Cl)/sn2	SCHEMBL10549865	297.827	RHJLUXGFKGGOMA-GXDHUFHOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057559
CC1(C)Sc2n(C1)c(=Nc1ccc(cc1)Cl)sn2	SCHEMBL10549868	297.827	RHJLUXGFKGGOMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057560
Clc1ccc(/N=c/sn3CC(Sc3n2)(C)C)cc1	PC-id_76327358	297.827	VSEMMZCLTMSUHW-GXDHUFHOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057561
Clc1ccc(/N=c/2snc3SC(Cn23)(C)C)cc1	PC-id_13649855	297.827	RHJLUXGFKGGOMA-UVTDQMKNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057562
Clc1ncc(CN2CCn3c2c(sc3=S)C)cc1	PC-id_12056679	297.827	ZPFITPSLCAUOBV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057563
CC(C1CCN(CC1)C(=O)c1sc2c(c1)CCC2)Cl	PC-id_113883356	297.843	VSDWAAAPHQFPFG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057564
ClC1CCC(CC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_106133715	297.843	KOHDWZPSWDPMSQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057565
ClC1CCCCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_113272643	297.843	PJJVEKHISLSESN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057566
ClC1CCCC(C1)CNC(=O)c1sc2c(c1)CCC2	PC-id_114147660	297.843	PERLQAPKCZQHPJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057567
ClC1CCCCC1N(C(=O)c1sc2c(c1)CCC2)C	PC-id_102638102	297.843	CMHDWLZBFWMOCA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057568
ClC1CCCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_113395084	297.843	QBJRQQGZVFIVAJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-057569
ClCC1CCCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_114306701	297.843	IZDHFOUELRYHJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057570
ClCC1CCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_106366677	297.843	KBGFLUYTPKNNEK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057571
ClCC1(CCCCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_114303366	297.843	HOUCJMSZHSWRLR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057572
ClCC1CCCCCN1C(=O)c1sc2c(c1)CCC2	PC-id_113546787	297.843	HMTRCWXULKCRMV-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-057573
ClCCC1CCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_55188201	297.843	VCOIFISZTAHJFK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057574
ClCCC1N(CCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_63393922	297.843	BVDMNKLHTBQLTA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057575
ClCCCC1N(CCC1)C(=O)c1sc2c(CCC2)c1	PC-id_55187258	297.843	BFPDXWXFCFXUJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057576
ClCCCN(C(=O)c1sc2c(c1)CCC2)C1CCC1	PC-id_113747310	297.843	ZYDGGHSCSBBINA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-057577
ClCCN(C1CCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_63391415	297.843	ANJPYWGDXGXCLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057578
O=C(N1CCC(C(C1)(C)C)Cl)c1sc2c(c1)CCC2	PC-id_112747363	297.843	NMOWUCHPNAHPCU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057579
CCc1ccc(s1)CNC1CCc2c1cc(s2)Cl	PC-id_114136799	297.867	XHMDZEMZTCPPNK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057580
Clc1c(scc1)C(NCC)c1sc2c(CCC2)c1	PC-id_80529252	297.867	AZIXDFFDDCQKIB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057581
Clc1sc2c(C(NC(c3sc(cc3)C)C)CC2)c1	PC-id_81251423	297.867	ZFKWDTPEQLADQK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057582
Clc1sc2c(C(NCc3sccc3CC)CC2)c1	PC-id_81251633	297.867	FYGVXUWNPQBUEJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057583
Clc1sc2c(C(NCc3sc(c(c3)C)C)CC2)c1	PC-id_81252197	297.867	NGHYFGNIOJGJIH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057584
Clc1sc2c(C(NC(Cc3ccsc3)C)CC2)c1	PC-id_81251314	297.867	KEQWSHQFJSOVBG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057585
Clc1sc2c(C(NC(Cc3sccc3)C)CC2)c1	PC-id_81252387	297.867	NXAQOVKXOMKDSO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057586
Clc1sc2c(C(NC(CC)c3sccc3)CC2)c1	PC-id_81251965	297.867	XZPXSIITRFIGNT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057587
Clc1scc(c1)C(NCc1sc2c(c1)CCC2)C	PC-id_102976561	297.867	BZHCMLHKYSRUEQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057588
Clc1sc(C(NCc2sc3c(CCC3)c2)C)cc1	PC-id_61207219	297.867	RNEDPTNCSOIXDE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057589
Clc1sc(C(NCC)c2sc3c(CCC3)c2)cc1	PC-id_43491976	297.867	AXWIDVBZLHRFHK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057590
CNC(c1sc2c(c1)CCC2)Cc1ccc(s1)Cl	PC-id_115841352	297.867	DBDIVHDLAIPJFW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057591
CNC(c1sc(c(c1)C)Cl)c1sc2c(c1)CCC2	PC-id_113733647	297.867	HESOBBFFPKINRK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-057592
Clc1sc2c(C(NC3CCC(CC3)CCC)CC2)c1	PC-id_81252295	297.886	GFTGIQVPWRLIAZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057593
Clc1sc2c(C(NC3C(CCCC3)C(C)C)CC2)c1	PC-id_81918450	297.886	MWYCSPHQDLTULH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057594
Clc1sc2c(C(NC(C3CCCCC3)CC)CC2)c1	PC-id_81251969	297.886	ZHBDYROFAZUWNI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057595
Clc1sc2c(C(NCC3CCC(CC3)CC)CC2)c1	PC-id_81252289	297.886	VGUNJCMBTUKUOK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057596
Clc1sc2c(C(NCCC3CC(CCC3)C)CC2)c1	PC-id_81252302	297.886	OMIKHOJSDCBJOT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057597
Clc1sc2c(C(NCCC3CCC(CC3)C)CC2)c1	PC-id_81252408	297.886	KTDRDFBFHRHPOL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-057598
Clc1sc2c(C(N[C@H](C3CCCCCC3)C)CC2)c1	PC-id_81388934	297.886	VSINRUHPHCXDRG-ZSOXZCCMSA-N	00000010100000000100000010000000000000000000000000000000	25-01-057599
Clc1sc2c(C(N[C@@H](C3CCCCCC3)C)CC2)c1	PC-id_81393258	297.886	VSINRUHPHCXDRG-YNODCEANSA-N	00000010100000000100000010000000000000000000000000000000	25-01-057600
C=C1Oc2c(O1)c(sc2Br)Br	PC-id_141185445	297.952	OLBVQKHUVFLHRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057601
O=C1OCc2c1c(Br)sc2Br	PC-id_117998399,SCHEMBL16623418	297.952	HOPSDHDJHBTVGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057602
BrCc1c(Br)sc2COCc12	MCULE-4177379624,EMOLS-id_331063584	297.995	QYFRZCBULVHKBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057603
CC1CC2=NSC(=NC3=C(C=C(C(=C3)N)Cl)F)N2C1	PC-id_153749628	298.046	HQUQGLJXPKXRNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057604
FC(F)Cn1nc2CCCc2c1I	MCULE-9022271827,EMOLS-id_317868795	298.072	PFOCXQGRZTWLPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057605
C1CN2C(=CC=C2C(=O)C3=CC=C(C=C3)CCO)[C@H]1C(=O)[O-]	PC-id_154466562	298.108	MGULCOVOLHSBSK-ZDUSSCGKSA-M	00000010100000110000000010000000000000000000000000000000	25-01-057606
CCN([C@H](C)CC1(CN2C=C(N=C2O1)[N+](=O)[O-])C)C(=O)O	PC-id_153874049	298.128	RLTQIDDJQYYQTE-SZSXPDSJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057607
C1CC2=NC=C(N2C1)CNC3=NN(C=C3)C4=C(C=CC=N4)F	PC-id_154763573,MCULE-9493157101,EMOLS-id_317265403	298.134	PPXCNIJNLHXQHC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-057608
C#CCOCCC(=O)N1CCn2ncc(Br)c12	ZINC22_1616043193,PC-id_136554595,EMOLS-id_316995850,MCULE-4444519027	298.136	RDOKNPWKYKUOTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057609
CC1=CC(=CC=C1)C(C2=NNC3=C2CN(C3)C(=O)C)C(=O)N	PC-id_153863677	298.143	XJUWOFAPVBHEGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057610
CC1=CC=C(C=C1)C(C2=NNC3=C2CN(C3)C(=O)C)C(=O)N	PC-id_153863678	298.143	VQSRHDOPWCGZLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057611
CC(=O)N1CC2=C(C1)NN=C2C(C)(C3=CC=CC=C3)C(=O)N	PC-id_153863676	298.143	XBQJRWMVTABJKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057612
c1csc2c1OC(=Cc1c(cncc1Cl)Cl)C2=O	PC-id_134821282	298.145	RHSKCXZURBGVKI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057613
Clc1ccc(/C=c/2sc3ncnn3c2=O)cc1Cl	ZINC22_16265004,EMOLS-id_2452534	298.148	YOZQVEFXFVMRME-WTKPLQERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-057614
n12ncnc1sc(=Cc1ccc(cc1Cl)Cl)c2=O	MCULE-3201277573	298.148	TWYIOMVKPLDLEM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-057615
n12ncnc1sc(=Cc1c(cccc1Cl)Cl)c2=O	MCULE-8601374424	298.148	ZNLWVXXJOBHXGY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-057616
n12ncnc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O	EMOLS-id_300083011,ZINC22_252680289,MCULE-8599377557	298.148	YOZQVEFXFVMRME-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-057617
n12ncnc1sc(=Cc1cccc(Cl)c1Cl)c2=O	MCULE-7527057857	298.148	CTMAZBXBXRMYDI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-057618
O=c1/c(=Cc2ccc(Cl)c(Cl)c2)/sc2ncnn12	ZINC22_463634	298.148	YOZQVEFXFVMRME-RUDMXATFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-057619
c12CSCc1sc(CO)c2I	MCULE-4097565548,EMOLS-id_330870852	298.164	UABLEJAPROHQGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057620
c1(CO)c2CSCc2sc1I	MCULE-1338633123,EMOLS-id_331062572	298.164	MUEOPURJODUGKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057621
Clc1cc(N(Cc2nn3CCOc3c2)C)cc(Cl)c1	PC-id_71601531,SCHEMBL17102566	298.168	ORHKICMSIMJPKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057622
COc1cc(Cl)c(cc1NC1CCn2c1ncc2)Cl	MCULE-5971137215,EMOLS-id_318616999	298.168	MDQMREJCBHOZLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057623
Clc1cnc(c(c1)Cl)CNCc1nnc2n1CCC2	MCULE-2509595192,EMOLS-id_318405755	298.171	BRNHSHBBEWYFRX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057624
Clc1cnc(c(c1)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318069467	298.171	JCHADUTZRNEMNP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057625
Clc1cncc(c1CNCc1nnc2n1CCC2)Cl	MCULE-4800529986,EMOLS-id_318565191	298.171	XYXPOVYPWWCHKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057626
CC1(C)CC(C(=O)N2CCn3ncc(Br)c23)C1	EMOLS-id_316996362,MCULE-6038421886,ZINC22_1616042756,PC-id_136554597	298.179	AFHWQKRDHPHTKR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057627
O=C(C1CC1(C)Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319567202	298.179	WGDQFNFPKIBOEI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057628
c12CN(Cc1nn(CC(F)(F)F)c2C#N)CC(F)(F)F	MCULE-4214038153,EMOLS-id_324357224	298.188	JNXASSJNDKGOCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057629
CC1(CC(C2=CC(=NN21)CO[Si](C)(C)C(C)(C)C)F)C	PC-id_162349425	298.188	QRDPGHJPRCFKDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057630
Clc1sc(c2c1[C@H](Nc1ccccc1)CC2=O)Cl	CoCoCo_5770711	298.188	ZPAAZSXHNMXTIS-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057631
Clc1sc(c2c1[C@@H](Nc1ccccc1)CC2=O)Cl	NSC704121,CoCoCo_5770710	298.188	ZPAAZSXHNMXTIS-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057632
Clc1sc(Cl)c2c1C(Nc1ccccc1)CC2=O	PC-id_396939	298.188	ZPAAZSXHNMXTIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057633
Cc1c2CCC(c2nn1COCC[S+](C)C(C)(C)C)N	PC-id_164162396	298.195	ZODBOMMEPWRPQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057634
Brc1ccoc1C(c1sc2c(c1)CCC2)N	PC-id_115861306	298.199	ASZJAFXSEGBHJQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-057635
Brc1oc(C(N)c2sc3c(CCC3)c2)cc1	PC-id_80217051	298.199	CIWNVHKIGDTADL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-057636
Brc1sc2c(c1)C(CC2)NCc1ccco1	EMOLS-id_317919791,MCULE-5076886018	298.199	ZLWKHMWTVZBVPW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-057637
Brc1sc2c(c1)C(CC2)NCc1cocc1	EMOLS-id_317921327,MCULE-1069470039	298.199	AAHYOYSXLDNBFO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-057638
Brc1ccc(s1)CNC1CCn2c1ncc2	EMOLS-id_317923900,MCULE-6533061949	298.202	PSMLBNZHHKDFEE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057639
Brc1ccsc1CNC1CCn2c1ncc2	MCULE-1300305247,EMOLS-id_317923644	298.202	UECANYWCWHXUJF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057640
Brc1csc(c1)CNC1CCn2c1ncc2	MCULE-8097293007,EMOLS-id_317918002	298.202	BDFBOPZRNZHHJG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057641
Brc1sccc1CNC1CCn2c1ncc2	EMOLS-id_317928508,MCULE-2279781926	298.202	DKRKGEBKNDHETO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057642
Brc1scc(c1)CNC1CCn2c1ncc2	EMOLS-id_317969718,MCULE-6412535983	298.202	LKGBCRGQDQKXSU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057643
CCOC(=O)CC1CC(c2c1c(n[nH]2)C(F)(F)F)(F)F	SCHEMBL14484871,PC-id_71185234	298.209	CNFYJKYKVVUCET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057644
CCOC(=O)Cn1c2c(CCC2(F)F)c(n1)C(F)(F)F	PC-id_86719821,SCHEMBL15708270	298.209	LLULOSSYFAGMLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057645
CCOC(=O)Cn1nc(c2c1CCC2(F)F)C(F)(F)F	PC-id_71204643,SCHEMBL14555876	298.209	MAMVFMKPXWZTQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057646
CN(C(=O)C(C(F)(F)F)(F)F)Cc1nnc2n1CCC2	PC-id_108094519	298.213	PQNQMKHQVMOHAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057647
O=C(C(C(F)(F)F)(F)F)NC(c1nnc2n1CCC2)C	PC-id_108094467	298.213	BRKFMTCSJSRYAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057648
O=C(N1CCn2c1ccn2)c1cc(c[nH]c1=O)C(F)(F)F	EMOLS-id_319120543	298.221	WXYZMEHCBVSTEQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057649
O=C(N1CCn2c1ncc2)c1ccc(c(=O)[nH]1)C(F)(F)F	EMOLS-id_320209271,MCULE-2041781717	298.221	VRTNADNLYMEDSO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057650
Cc1ccc(c(c1)NC1CCc2c1cc(s2)Cl)Cl	PC-id_107630806	298.231	CDYGHUJHFWGGJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057651
Clc1cc(C(N)c2sc3c(CCC3)c2)ccc1Cl	PC-id_43384512	298.231	NCASEOQRJUGVHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057652
Clc1c(C(N)c2sc3c(CCC3)c2)ccc(Cl)c1	PC-id_61271569	298.231	MDNDTWSEPMIHHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057653
Clc1c(C(N)c2sc3c(CCC3)c2)cc(Cl)cc1	PC-id_43384514	298.231	PJRQWGTVZWFBST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057654
Clc1sc2CCC(Nc3c(cccc3Cl)C)c2c1	PC-id_81252609	298.231	GVPYEVAELMCKCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057655
Clc1sc2CCC(Nc3c(ccc(Cl)c3)C)c2c1	PC-id_81251582	298.231	LOCOXCGDCBVMCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057656
Clc1sc2CCC(Nc3c(cc(Cl)cc3)C)c2c1	PC-id_81252268	298.231	QKTVFIRQCOBEKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057657
Clc1sc2CCC(Nc3cc(Cl)c(cc3)C)c2c1	PC-id_81251394	298.231	PFVIZFKQUZBJAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057658
Clc1sc2CCC(Nc3c(c(Cl)ccc3)C)c2c1	PC-id_81252878	298.231	YOHXKPLLFUJPCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057659
Clc1sc2CCC(Nc3c(Cl)cc(cc3)C)c2c1	PC-id_81251404	298.231	GTQMXLDZHRYECB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057660
Clc1sc2c(C(NCc3ccc(Cl)cc3)CC2)c1	PC-id_81252574	298.231	HALSNWXKACJCFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057661
Clc1sc2c(C(NCc3cc(Cl)ccc3)CC2)c1	PC-id_81252075	298.231	SMAXPMJMWWRXPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057662
Clc1sc2c(C(NCc3c(Cl)cccc3)CC2)c1	PC-id_81252564	298.231	IWPHCRQITZEGFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057663
ClC(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_112656006	298.231	GPZFSLNYCREEBF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057664
NC(c1cccc(c1Cl)Cl)c1sc2c(c1)CCC2	PC-id_115851189	298.231	FLNOCZDKGBOAQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057665
OCC(n1nnc(c1)C(=O)NC1CCn2c1cnc2)(F)F	EMOLS-id_319122575	298.249	UFMQXALWYZKVHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057666
OCC(n1nnc(c1)C(=O)NC1CCn2c1ncc2)(F)F	EMOLS-id_319062328	298.249	RKEFLZQFHVVJTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057667
CCOC(=O)C1(N=C(n2n1c(=O)[nH]c2=O)C)C(=O)OCC	PC-id_101636490	298.252	YREYCJKTGNCCII-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-057668
c12CN(Cc1nn(CC(F)F)c2CNC)CC(F)(F)F	EMOLS-id_324350050,MCULE-3942561818	298.256	FUINUJYPGHFBCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057669
OC(=O)C1CCc2c1nc(s2)NCC(C(F)F)(F)F	PC-id_106296034	298.257	MZWGVJBUXKZLEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057670
CC1CC(c2n1ncn2)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_318682932,MCULE-4939839541	298.264	WMXDXCKENTWAQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057671
FC(COc1ccc(cn1)NC1CCn2c1ncc2)(F)F	MCULE-2101164895,EMOLS-id_318633090	298.264	UBAMRUYCTCTHNT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057672
FC(Oc1ccc(cc1NC1CC(n2c1ncn2)C)F)F	MCULE-9347378078,EMOLS-id_318589491	298.264	HVLGPRATFGMOEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057673
FC(Oc1cc(F)ccc1NC1CC(n2c1ncn2)C)F	MCULE-4697364251,EMOLS-id_318607181	298.264	QEJAQHIKOOESPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057674
O=C(c1ccc([nH]1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_320006008,MCULE-1822344135	298.264	YVMICGKCULGAJY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-057675
O=C(c1ccc([nH]1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319165827	298.264	CVNAHSYIICZQDS-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-057676
O=C(c1[nH]c2c(c1)CCC2)Nc1cnn(c1C(F)(F)F)C	EMOLS-id_320050795,MCULE-1793663970	298.264	PHBCLRVPZVDSDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057677
O=C(c1[nH]c2c(c1)CCC2)NCc1[nH]cc(n1)C(F)(F)F	EMOLS-id_319644905	298.264	PMJKPYGFWWLFLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057678
CC1CC(c2n1ncn2)NCc1nccc(n1)C(F)(F)F	EMOLS-id_318449319,MCULE-7077351131	298.267	TWIWIYIOVQCDLP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057679
Cc1cc(NCc2nnc3n2CCC3)nc(n1)C(F)(F)F	EMOLS-id_318584687,MCULE-6700402870	298.267	DNAMICQJUSERQA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057680
Cc1nc(NCc2nnc3n2CCC3)cc(n1)C(F)(F)F	EMOLS-id_318501665,MCULE-7063112611	298.267	JJVZIXKZTFASIF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057681
Cc1nc(NCc2nnc3n2CCC3)nc(c1)C(F)(F)F	MCULE-6122987165,EMOLS-id_318631410	298.267	IFRJTKNSEVWOSK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057682
Cc1nnc(c(c1)C(F)(F)F)NCc1nnc2n1CCC2	MCULE-8399977661,EMOLS-id_318610017	298.267	YZGQDMAWMHDITR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057683
CC(c1nnc2n1CCC2)Nc1ccc(nn1)C(F)(F)F	MCULE-6146178507,EMOLS-id_318174916	298.267	ZVUDQXHDGDEUDS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057684
CC(c1nnc2n1CCC2)Nc1nccc(n1)C(F)(F)F	EMOLS-id_317990008,MCULE-5433896131	298.267	XEUTUUOZQHBVIG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057685
CNc1nc(Nc2cnn3CCCc23)ncc1C(F)(F)F	BindingDB_PC-id_72201490,PC-id_72201490,BindingDB-id_349820,SCHEMBL15528702	298.267	JWVVTBKLTDADEX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057686
c12C(C)CCc1nn(Cc1c(cccc1C(F)(F)F)F)c2	EMOLS-id_330999973,MCULE-9227836145	298.279	ZFKWMVNQOMPBDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057687
c12C(C)CCc1nn(Cc1ccc(cc1C(F)(F)F)F)c2	EMOLS-id_331000229,MCULE-4071409878	298.279	FPQGPUQRQDQZRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057688
c12C(C)CCc1nn(Cc1ccc(cc1F)C(F)(F)F)c2	MCULE-8871078881,EMOLS-id_331001764	298.279	YRUWTKLZDOHKPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057689
c12C(C)CCc1nn(Cc1cccc(C(F)(F)F)c1F)c2	EMOLS-id_330997926,MCULE-3877903065	298.279	ODUUKHPZBYRACR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057690
c12C(C)CCc1nn(Cc1ccc(c(C(F)(F)F)c1)F)c2	MCULE-8859544172,EMOLS-id_330998182	298.279	MTLGHJZVPREOFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057691
c12C(C)CCc1nn(Cc1ccc(c(F)c1)C(F)(F)F)c2	MCULE-3434379906,EMOLS-id_330997925	298.279	MJLFEMSUMISNQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057692
c12C(C)CCc1nn(Cc1cc(F)cc(c1)C(F)(F)F)c2	EMOLS-id_330998438,MCULE-6063188989	298.279	FUAPMWCSVLYPLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057693
c12C(C)CCc1nn(Cc1cc(F)ccc1C(F)(F)F)c2	EMOLS-id_331000485,MCULE-9135975104	298.279	NWIAJKQYCZKMOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057694
c12C(C)CCc1nn(Cc1c(F)ccc(c1)C(F)(F)F)c2	MCULE-7042321355,EMOLS-id_330998694	298.279	LURSZZHGVDTNCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057695
CC1CCc2c1cnn2Cc1cc(ccc1F)C(F)(F)F	EMOLS-id_331016936,MCULE-9748570880	298.279	FGGWTCGIQYOSMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057696
CC1CCc2c1cnn2Cc1ccc(cc1F)C(F)(F)F	MCULE-2769267180,EMOLS-id_331015911	298.279	XWGKMWKPEMQULZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057697
CC1CCc2c1cnn2Cc1cccc(c1F)C(F)(F)F	MCULE-6050225847,EMOLS-id_331016168	298.279	PZSKMGJDBAJDRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057698
CC1CCc2c1cnn2Cc1ccc(c(F)c1)C(F)(F)F	MCULE-7627511402,EMOLS-id_331016167	298.279	HLHYOTSKEHZRDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057699
CC1CCc2c1cnn2Cc1ccc(F)cc1C(F)(F)F	EMOLS-id_331014376,MCULE-6302474470	298.279	GCSYNQDDJXASRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057700
CC1CCc2c1cnn2Cc1ccc(F)c(c1)C(F)(F)F	MCULE-5370323417,EMOLS-id_331016424	298.279	AZGOHPILTJQKSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057701
CC1CCc2c1cnn2Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_331014632,MCULE-4659168127	298.279	JAWQOGBMQNYVEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057702
CC1CCc2c1cnn2Cc1cc(F)cc(c1)C(F)(F)F	EMOLS-id_331016680,MCULE-3231480330	298.279	GVBODXIXFRLLDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057703
CC1CCc2c1cnn2Cc1c(F)cccc1C(F)(F)F	EMOLS-id_331018215,MCULE-6609980704	298.279	SILJVBGCKDRLLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057704
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(F)c1F)F	MCULE-8116706506,EMOLS-id_181475488,PC-id_84558634	298.284	ZSZCOEYLCBCCNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057705
s1c2CCCc2nc1NC(=O)c1cc(F)c(F)c(F)c1	PC-id_63189091	298.284	RLVLJOOBVZECKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057706
CC(=O)Nc1ccc(cc1)C(=O)c1cc2c(n1C)CC(=O)O2	SCHEMBL7678418,PC-id_18424147	298.293	OFBMYBZOXMUPJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057707
C=NOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_118604674,SCHEMBL17369582	298.293	RYUUOPXKOAKEGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057708
O=C1C(Cn2c1ccc2)CC(=O)Nc1ccc(cc1)C(=O)O	PC-id_23824323,TIMTEC28561	298.293	NKSGCKFVSCISOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057709
O=C(c1ccc2n1CCC2(C(=O)N)C(=O)O)c1ccccc1	SCHEMBL16726838,PC-id_9840059	298.293	XJNYSTBFBXVEBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057710
O=C(C[C@H]1Cn2c(C1=O)ccc2)Nc1ccc(cc1)C(=O)O	PC-id_93531907	298.293	NKSGCKFVSCISOM-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-057711
O=C(C[C@@H]1Cn2c(C1=O)ccc2)Nc1ccc(cc1)C(=O)O	PC-id_93531908	298.293	NKSGCKFVSCISOM-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057712
O=C(O)c1coc2c1CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)C2	ZINC22_1875291809	298.293	MCFGIPFSZNRHFQ-NXEZZACHSA-N	00100010100000101000100010000000000000000000000000000000	25-01-057713
CCN(C(=O)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CC	PC-id_69479119,SCHEMBL5534741	298.295	BPXMHLRBUBKRHO-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057714
CCN(C(=O)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CC	SCHEMBL5534746,PC-id_69479124	298.295	BPXMHLRBUBKRHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057715
c1(C(=O)NCc2noc(c3ccco3)c2)c2CCCc2n[nH]1	EMOLS-id_82730537,ZINC22_426584054,MCULE-8938822741,PC-id_119070026	298.297	QQZJAHQHLGYAJH-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-057716
Cc1c(ccc(c1)O)N=C1c2c(c(nn2N=C1C(=O)O)C)C	PC-id_136607248,SCHEMBL14362135	298.297	SUOCOUWTXMYGJO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-057717
Cn1nc2c(c1NC(=O)c1cc(c3ccco3)on1)CCC2	MCULE-7951326642,EMOLS-id_48224624,PC-id_75418092,ZINC22_65894006	298.297	YGIKTILPTFQEHY-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-057718
O=C(c1noc(c1)c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_320166200,MCULE-8329789817	298.297	WLIAOPARAAIVCG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-057719
O=C(N1Cc2c(C1)nc(o2)C(=O)NC1CC1)c1cccnc1	PC-id_97525791	298.297	GXBPKGZKHOLBPM-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-057720
O=C(NN=Cc1ccc(cc1)C(=O)O)c1n[nH]c2CCCc12	PC-id_3574354	298.297	HIVKUPRJHHRKQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057721
O=C(NN=Cc1c(cccc1)C(=O)O)c1n[nH]c2CCCc12	PC-id_3743390	298.297	KELWYPCJNABLTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057722
C1c2c(CN1C(=O)N)[nH]nc2NC(=O)C=Cc1ccncc1	SCHEMBL2919898,SCHEMBL2919901,PC-id_87455519	298.3	UYXQRAGYWKWTRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057723
C1c2c(CN1C(=O)N)[nH]nc2NC(=O)C=Cc1cnccc1	PC-id_87454942,SCHEMBL2914576,SCHEMBL2914578	298.3	VGWQXEFMHOTQGG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057724
C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1nnc2n1CCC2	PC-id_97260628,ZINC22_95465986	298.3	WQYRHXGCCZODCM-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-057725
C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1nnc2n1CCC2	PC-id_97260629,ZINC22_95465987	298.3	WQYRHXGCCZODCM-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057726
Cn1ccc(c2cc(C(=O)N[C@@H]3CCn4cncc34)no2)n1	ZINC22_1358400295	298.3	YFLIBQASILSVFM-SECBINFHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-057727
Cn1ccc(c2cc(C(=O)N[C@H]3CCn4cncc34)no2)n1	ZINC22_1358400297	298.3	YFLIBQASILSVFM-VIFPVBQESA-N	00000010100000000001100010000000000000000000000000000000	25-01-057728
Cn1ccc(n1)c1onc(c1)C(=O)NC1CCn2c1cnc2	EMOLS-id_317049104,MCULE-8340319975	298.3	YFLIBQASILSVFM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-057729
Cn1nc(c2c1CN(C2)C(=O)c1ccno1)Cn1cccn1	PC-id_97405330	298.3	LWKHDZRAUOFZKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057730
Cn1ncc(c1)c1noc(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319246677	298.3	UYBBNBSVQSDXML-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-057731
Cn1ncc(c1)c1noc(c1)C(=O)NC1CCn2c1cnc2	EMOLS-id_319834125	298.3	CWWILSGRPKIHAH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-057732
Cn1ncc(c1)c1noc(c1)C(=O)NC1CCn2c1ncc2	EMOLS-id_318818640	298.3	YGYZSOTYQBANCZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-057733
N#Cc1cc(ccc1NC(c1nnc2n1CCC2)C)[N+](=O)[O-]	EMOLS-id_48326138,PC-id_75448562,MCULE-2548201616	298.3	WQYRHXGCCZODCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057734
O=C(N1Cc2c(C1)c(nn2C)Cn1ccnc1)c1ccno1	PC-id_97413568	298.3	SGWSEZSCWXCSQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057735
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)/C=Cc1cccnc1	SCHEMBL2914573	298.3	VGWQXEFMHOTQGG-ARJAWSKDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057736
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)/C=Cc1ccncc1	SCHEMBL2919894	298.3	UYXQRAGYWKWTRF-UPHRSURJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057737
Cn1ncc(c1)n1nnc(c1C)C(=O)N1CCn2c1ccn2	MCULE-2541727043,EMOLS-id_319881360	298.303	FVRCANCJLJVHNJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-057738
c12CN(Cc1nn(CC1CCCC1)c2C#N)CC(F)(F)F	MCULE-5677038429,EMOLS-id_324355944	298.307	GHEHHQKNEUTNDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057739
Fc1cc(ccc1F)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318719238	298.308	KDDYKJUFLMYHRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057740
Cn1cc(c(n1)C(F)F)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318394344	298.312	RLOQNZQHXGUEQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057741
O=C(c1cnn(c1C(F)F)C)Nc1sc2c(n1)CCC2	EMOLS-id_318463595	298.312	RSCHJOKBEYILKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057742
O=C(c1sccc1C(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_319321773	298.312	WVKOKMLYIWUFAZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-057743
c12CN(Cc1nn(CCF)c2C=NO)C(=O)OC(C)(C)C	EMOLS-id_324354926,MCULE-5455032610	298.313	VCYXQGALEQWEQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057744
c12CN(Cc1nn(CCF)c2C(=O)N(C)C)C(=O)OCC	MCULE-1514726683,EMOLS-id_324352874	298.313	COHJZJJHBQZBLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057745
C1COCCN1CCCNC(=O)c1nn2CCOc2c1F	PC-id_91960112	298.313	UOKIBBVQJZGPJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057746
COC(=O)c1c(NC(=O)NC(CF)(C)C)nc2n1CCC2	EMOLS-id_319262687	298.313	BIKLGUARSKQUPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057747
c1(NC(=O)COCC(=O)O)sc2c(CCC2)c1C(=O)N	CoCoCo_6826470,ZINC22_17024485,TIMTEC468776,PC-id_17378777,MCULE-8798696151,EMOLS-id_3989653	298.315	TYOMUKFHACNIDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057748
c1(NC(=O)C(=O)NCCO)sc2c(CCC2)c1C(=O)O	MCULE-7581387469,EMOLS-id_4741575,STOCK6S-11309,ZINC22_6720001,PC-id_8057416	298.315	FNCOOPAMHXWIKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057749
NC(=O)C[C@H](C(=O)O)NC(=O)Nc1sc2c(n1)CCC2	PC-id_107826918	298.318	SKBQSRZGOMMQQO-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057750
NC(=O)CN(C(=O)Nc1sc2c(n1)CCC2)CC(=O)O	PC-id_107438335	298.318	AGLBACBXVZFPHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057751
O=C1CC(C(=O)N1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98854826	298.318	MJFONJPFDTYVOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057752
O=C1NCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110435736	298.318	WPHCAVRVTPKPOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057753
s1c2CCCc2nc1NC(=O)NC(CC(=O)N)C(=O)O	PC-id_61509998	298.318	SKBQSRZGOMMQQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057754
s1c2CCCc2nc1NC(=O)NCC(=O)NCC(=O)O	PC-id_61510212	298.318	NRIRULRWVIJHBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057755
s1c2CCCc2nc1NC(=O)N[C@@H](CC(=O)N)C(=O)O	PC-id_63719216	298.318	SKBQSRZGOMMQQO-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-057756
N#Cc1ncn(CC(=O)Nc2sc3c(c2C#N)CCC3)n1	EMOLS-id_13502830,CoCoCo_4546908,ZINC22_14143253,MCULE-5542279166,PC-id_17567122	298.323	MLUJUYJQPGSGDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057757
OC(c1ccccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_115795953	298.323	NCUKVQDNXOEXOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057758
OC(c1sc2c(c1)CCC2)c1cccc(c1)C(F)(F)F	PC-id_115792192	298.323	QGFGRXJZHWZLGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057759
OC(c1sc2c(c1)CCC2)c1ccc(cc1)C(F)(F)F	PC-id_115793800	298.323	ZREOCMDVJYOGCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057760
CNC(c1cc(F)c(cc1F)F)c1sc2c(n1)CCC2	PC-id_108240036	298.327	SEHAHJPDUOTDDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057761
Fc1cc(F)c(c(c1)F)CNCc1sc2c(n1)CCC2	EMOLS-id_318560745,MCULE-8456646161	298.327	FHYXSWNJFXDZQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057762
NC(c1cnccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_102710007	298.327	GJNORJOIGDVYJR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057763
NNC(c1ccc(c(c1F)F)F)c1sc2c(c1)CCC2	PC-id_105305682	298.327	QJZLQUPHKVWUPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057764
s1c2CCCc2cc1CNc1ncc(cc1)C(F)(F)F	PC-id_61208388	298.327	BUMINEFCNGFVPM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057765
s1c2CCCc2cc1CNc1ncccc1C(F)(F)F	PC-id_61208576	298.327	OLTCEZBWSLUKNX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057766
s1c2CCCc2cc1CNc1nc(ccc1)C(F)(F)F	PC-id_61777055	298.327	ULMBNBSUCCRZJM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057767
s1c2CCCc2cc1CNc1nccc(c1)C(F)(F)F	PC-id_66331032	298.327	GDJBOGCGNDXVQQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057768
s1c2CCCc2nc1C(N)c1ccc(cc1)C(F)(F)F	PC-id_61330100	298.327	DKGWJOAHGLIGSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057769
s1c2CCCc2nc1C(N)c1cc(ccc1)C(F)(F)F	PC-id_61331093	298.327	DDVWEOBOQQKCMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057770
s1c2CCCc2nc1C(N)c1c(cccc1)C(F)(F)F	PC-id_61332082	298.327	AEKZYIWANRBJTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057771
s1c2CCCc2nc1C(NC)c1cc(F)c(F)c(F)c1	PC-id_63078051	298.327	GRFLSYSYUDHTHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057772
CN(CC(=O)NCC(F)(F)c1n[nH]c2c1CCC2)C1CC1	ZINC22_2325802915	298.332	FBPJFBYYGKPENA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-057773
FC(CN1CCC(C1)CNC(=O)c1cn2c(n1)CCC2)F	EMOLS-id_319576043	298.332	GVPPIXAQTKLSLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057774
FC(CN1CCC(C1)CNC(=O)c1nn2c(c1)CCC2)F	MCULE-5038639829,EMOLS-id_320026176	298.332	KICHMIOBYIAMQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057775
O=C(c1cnn2c1CCC2)N1CCN(CC1)CC(F)(F)C	EMOLS-id_318849515	298.332	UYMNGRYIQBDKOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057776
O=C(C1NCc2c1c[nH]n2)NCCC1CCC(CC1)(F)F	EMOLS-id_319970082,MCULE-3478367345	298.332	SRVLHBDIDNZORF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057777
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)CC(F)(F)C	MCULE-4925518506,EMOLS-id_319829639	298.332	BLIHUHPYEKBCHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057778
O=C(N1CCC(C(C1)C)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101422896	298.332	LCACRFIQUGTSBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057779
O=C(NC1CC(n2c1ncc2)C)NC1CCC(CC1)(F)F	EMOLS-id_101418813	298.332	HBIZGGAOOQBEQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057780
O=C(NC1CC(n2c1ncc2)C)NCC1CCC(C1)(F)F	EMOLS-id_101371705	298.332	KAORSLOYDQEQFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057781
O=C(NC1CC(n2c1ncc2)C)NCC1CCCC1(F)F	EMOLS-id_101427582	298.332	RESPVJUKUHEZTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057782
O=C(NC1CC(n2c1ncc2)C)NCCC1CC(C1)(F)F	EMOLS-id_101423082	298.332	LKJZIUOTOISDAW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057783
CC(C[C@@H]1N(C(=O)c2ccccc2)C(=O)c2c1noc2C)C	PC-id_102228471	298.336	GISNBWROORPVHP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057784
CCOC(=O)c1cc2c(n1C)C(=O)N(C2)Cc1ccccc1	PC-id_102504786	298.336	SAWXHYTWROZCCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057785
CCOC(=O)c1ccc(cc1)NCc1ccc2n1CCC2=O	PC-id_23934726,TIMTEC22960	298.336	OCPQDYVXLQEPPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057786
CNC(=O)c1ccccc1N(C(=O)c1occ2c1CCC2)C	EMOLS-id_318508758	298.336	HXMLPCBRJDZVPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057787
CN(C(=O)c1cccc(c1)NC(=O)c1occ2c1CCC2)C	EMOLS-id_318561708	298.336	UPRFSUZSLSRGHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057788
CN(C(=O)c1ccc(cc1)NC(=O)c1occ2c1CCC2)C	EMOLS-id_318567988	298.336	YWJJVOACIASJQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057789
CN(C(=O)c1ccccc1NC(=O)c1occ2c1CCC2)C	EMOLS-id_318750203	298.336	JOBZAWKJEWXUGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057790
COC(=O)c1c(NC(=O)c2cccc(c2)C)[nH]c2c1CCC2	SCHEMBL14478793,PC-id_71182484	298.336	WKYUQFWBNMVGDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057791
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC(=O)O	MCULE-7061650772,EMOLS-id_328211071	298.336	LPNWTHVYYBXJOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057792
OC1c2[nH]cc(c2N(C1)C(=O)OCc1ccccc1)CC=C	PC-id_57318161	298.336	HKBKRBWOHHHOLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057793
O=C(c1n2c(C(CC2)CC(=O)O)cc1)c1n2CCCc2cc1	SCHEMBL10995762,PC-id_20270360	298.336	JQYRECIJZWYMEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057794
O=C(c1n2c(C(CC2)C(=O)O)cc1C)c1n2CCCc2cc1	SCHEMBL10995715,PC-id_13490407	298.336	WNSHHVRBBNVFQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057795
O=C(c1occ2c1CCC2)N[C@@H]1CCO[C@H]1c1cccnc1	EMOLS-id_318529493	298.336	FRCFYEMUQQTLHQ-CABCVRRESA-N	00000010100000101000100010000000000000000000000000000000	25-01-057796
O=C(c1occ2c1CCC2)N[C@@H]1CCO[C@H]1c1ccncc1	EMOLS-id_318787615	298.336	MCNWSMQMAACTET-CABCVRRESA-N	00000010100000101000100010000000000000000000000000000000	25-01-057797
O(C(=O)c1c2n(CCC2)c(c1N)C(=O)c1ccccc1)CC	PC-id_24103273	298.336	VASKQXDZGGLUBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057798
c12CCCc1[nH]nc2C(=O)NN=Cc1ccc(OCC)cc1	MCULE-9424735074,PC-id_4203002	298.34	PBJAJAYZPZMSIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057799
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(c2cccnc2)C1	MCULE-2141568735,PC-id_77082157,EMOLS-id_49872714	298.34	QGXPELHTZCSEJO-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057800
c1(C(=O)N2CCCC2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-8909035569,EMOLS-id_316324667	298.34	SWXQMUMAKCEFLZ-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057801
c1(C(=O)NC2CCC2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316322108,MCULE-1819542763	298.34	KXZVIMLCHRUPSW-AWEZNQCLSA-N	00001010100000101001000010000000000000000000000000000000	25-01-057802
c1(C(=O)NC2CCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-4662511293,EMOLS-id_316256250	298.34	CFGRYARJNMLIPR-AWEZNQCLSA-N	00001010100000101001000010000000000000000000000000000000	25-01-057803
c1(C(=O)NC2CCC2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-5594534287	298.34	CFGRYARJNMLIPR-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-057804
c1(C(=O)Nc2ccc(cc2)NC(=O)C)c2CCCc2n(C)n1	EMOLS-id_179745400,MCULE-2700711912,PC-id_110389112	298.34	KUHZRHZIWNPROP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057805
c1(C(=O)Nc2cccc(c2)NC(=O)C)c2CCCc2n(C)n1	PC-id_110389111,EMOLS-id_179745397,MCULE-7065323057	298.34	XQDNSSQIIBFEIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057806
c1(C(=O)Nc2ccc(cc2)NC(=O)CC)c2CCCc2[nH]n1	EMOLS-id_335059522,MCULE-3172750812	298.34	MJUCKHSEHAXOQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057807
c1(C(=O)NCC2CC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-2729472308,EMOLS-id_316252665	298.34	WGBFGVRBMNBCDT-AWEZNQCLSA-N	00100010100000101001000010000000000000000000000000000000	25-01-057808
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)C)Cc12	MCULE-2170979704,EMOLS-id_316321083	298.34	NTDNWIZZHMCATH-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057809
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)C)Cc12	MCULE-8711998305	298.34	NTDNWIZZHMCATH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057810
c1(C(=O)N[C@@H](Cc2ccccc2)C(=O)N)c2CCCc2[nH]n1	MCULE-2857354139,EMOLS-id_323258043	298.34	JRMXLZYQGNQCNZ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057811
c1(C(=O)NN=Cc2ccccc2OCC)c2CCCc2[nH]n1	EMOLS-id_300000420,PC-id_5400046,MCULE-5943015287	298.34	YXYCERPBEQGGSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057812
c1(C(=O)NN=C(C)c2ccc(cc2)OC)c2CCCc2[nH]n1	MCULE-4097141811,PC-id_714354	298.34	SVSCNFNONPWJGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057813
CC1CC(c2n1ncn2)NC(=O)C1(CC1)c1ccc(cc1)O	EMOLS-id_319050239	298.34	BBIVKHNHLVMWLA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-057814
Cc1cc(C)cc(c1)C(=O)NCC(=O)N1CCn2c1ncc2	EMOLS-id_319606807	298.34	WYCWZQKVVGOISE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057815
CC(c1nc(C=Cc2cnn3c2CCC3)ncc1C(=O)O)C	EMOLS-id_313186107,MCULE-2717774532,PC-id_136551693	298.34	HVVDGBRWAPYGKP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057816
CC(c1nc(C=Cc2nn3c(c2)CCC3)ncc1C(=O)O)C	PC-id_136590693,EMOLS-id_276236479,MCULE-6890384574	298.34	ZUERXZXHJIRILA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057817
CC(C)c1nc(/C=C/c2cc3n(n2)CCC3)ncc1C(=O)O	ZINC22_656613613	298.34	ZUERXZXHJIRILA-AATRIKPKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057818
CC(C)c1nc(/C=C/c2cnn3c2CCC3)ncc1C(=O)O	ZINC22_656612635	298.34	HVVDGBRWAPYGKP-AATRIKPKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057819
CC/C(=NNC(=O)c1n[nH]c2c1CCC2)/c1ccc(cc1)O	PC-id_135788564	298.34	QOGHNKIGJYTOCD-GHRIWEEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-057820
CCC(=O)N(c1n[nH]c2c1CN(C2)C(=O)C)c1ccccc1	SCHEMBL2915619,PC-id_68439673	298.34	CYEGBRQPSYGKPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057821
CCOc1ccccc1/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_1724439,CoCoCo_1724437	298.34	YXYCERPBEQGGSP-YVLHZVERSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057822
CCOc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCC2	CoCoCo_1724438,CoCoCo_1724436,SPECS-id_AT-225/NB40880,EMOLS-id_702502,STOCK3S-40067,PC-id_6862375,TIMTEC584661	298.34	YXYCERPBEQGGSP-LICLKQGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057823
CC(=O)Nc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319641801	298.34	VADCXQPTDUDCEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057824
CC(=O)Nc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319560372	298.34	DOKJKFMHOUNYGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057825
CNC(=O)c1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319542238	298.34	XXKJUHBYSPTUGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057826
COc1cccc(c1)/C=CC(=O)NCc1nnc2n1CCC2	CoCoCo_4491058	298.34	JHZRXXDKPOJCBY-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057827
COc1cccc(c1)C=CC(=O)NCc1nnc2n1CCC2	PC-id_72059531,EMOLS-id_26227731,MCULE-6279307920	298.34	JHZRXXDKPOJCBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057828
COc1ccc(cc1)/C(=NNC(=O)c1[nH]nc2c1CCC2)/C	CoCoCo_1759972,CoCoCo_1759970	298.34	SVSCNFNONPWJGQ-YVLHZVERSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057829
COc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c2CCCc12)/C	EMOLS-id_630008,PC-id_5396708,CoCoCo_1759969,CoCoCo_1759971	298.34	SVSCNFNONPWJGQ-LICLKQGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057830
COc1cccc(/C=C/C(=O)NCc2nnc3n2CCC3)c1	CoCoCo_4491057,ZINC22_12914620,PC-id_25600241	298.34	JHZRXXDKPOJCBY-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057831
COCCN(c1ccc(cn1)C=C1Cn2c(C1=O)ncc2)C	MCULE-2948912098,EMOLS-id_177331267	298.34	CXNVHHOUFJWAFR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057832
COCCN(C)c1ccc(/C=C/Cn3ccnc3C2=O)cn1	ZINC22_585135811	298.34	CXNVHHOUFJWAFR-LCYFTJDESA-N	00000010100000101001000010000000000000000000000000000000	25-01-057833
Nc1ccnc(n1)C1CCCN1C(=O)c1occ2c1CCC2	MCULE-7859159785,EMOLS-id_319974799	298.34	TZFNDYLUSDJMBT-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-057834
O=C1CCCN1c1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_318902725	298.34	GEBQYDCYSHACPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057835
O=C1CCC(N1)c1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_319967316,MCULE-1167827017	298.34	NHJFFFCOIUKTHO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057836
Oc1ccnc(n1)C1CCCN1C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320112044,MCULE-6495878277	298.34	VWZIYSRWSKXCEH-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-057837
O=C1OCCN1c1ccc(cc1)NCc1cnc2n1CCC2	EMOLS-id_318520608,MCULE-7685586906	298.34	WNQRDWQNBZEXRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057838
O=C1OCCN1c1cccc(c1)NCc1cnc2n1CCC2	MCULE-5840417834,EMOLS-id_318638561	298.34	FPMSUTGBLSLREL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057839
O=C(C1CC1)N1Cc2[nH]nc(COCc3cccnc3)c2C1	ZINC22_96260232,EMOLS-id_44372012,CHEMBL3553936,PC-id_97520309	298.34	ZVRGVVANKRTBHL-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-057840
O=C(C1CC1)Nc1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_318863761	298.34	JTFHNUQYUXWKFR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-057841
O=C(c1ccc(nc1O)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319059445	298.34	RZXDEGUNRRSPIW-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-057842
O=C(c1cc(=O)[nH]c(c1)C1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_100113942	298.34	RNNPIHIDSKWOEV-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-057843
O=C(c1nn2c(c1)CC(C2)Oc1cccnc1)N1CCCC1	MCULE-6245592013	298.34	SWXQMUMAKCEFLZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057844
O=C(c1nn2c(c1)CC(C2)Oc1cccnc1)NC1CCC1	MCULE-1448958277	298.34	KXZVIMLCHRUPSW-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-057845
O=C(c1nn2c(c1)OCC2)N1CCC(C1)Nc1ccccc1	EMOLS-id_318807321,MCULE-2245701161	298.34	UMTHJDDYUCPKDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057846
O=C(c1nn2c(c1)OCC2)N1CCNC(C1)c1ccccc1	EMOLS-id_101506803	298.34	HWTAGEJIHZNJFA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-057847
O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cccnc2)C1	PC-id_99929542,ZINC22_215246102	298.34	QGXPELHTZCSEJO-AWEZNQCLSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057848
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cccnc2)C1	PC-id_99929543,ZINC22_215246151	298.34	QGXPELHTZCSEJO-CQSZACIVSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057849
O=C(c1oc2c(n1)CN(C2)CC1CC1)NCc1ccncc1	PC-id_97525771	298.34	YXFCLZQBHFOMCT-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-057850
O=C(C(c1ccccc1)C)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68439674,SCHEMBL2915622	298.34	QJMBTRKHIFINNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057851
O=C(Cc1ccccc1C)Nc1n[nH]c2c1CN(C2)C(=O)C	SCHEMBL2917554,PC-id_68440347	298.34	LEYXSRLUDDCTPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057852
O=C(Cc1ccc(cc1)C(=O)N)NCc1cnc2n1CCC2	MCULE-7947310862,EMOLS-id_320019230	298.34	JXPGUFKOFCQDDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057853
O=C(N1Cc2c([nH]nc2NC(=O)Cc2cc(ccc2)C)C1)C	SCHEMBL2917854,PC-id_68440448	298.34	TYYUZORFGYKDJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057854
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccc(cc2)C)C1)C	SCHEMBL2921968,PC-id_68441790	298.34	IPEKVSSNQDNMFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057855
O=C(n1nc(NC(=O)c2ccccc2)c2c1CNC2)C(C)C	PC-id_71477414	298.34	BKYYVCNIJSXIDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057856
O=C(NCc1n2CCCc2nn1)/C=C/c1ccc(OC)cc1	PC-id_52024785	298.34	VJZWKGOJQGFSKL-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057857
O=C(NCc1n2CCCc2nn1)C=Cc1ccc(OC)cc1	PC-id_75770527	298.34	VJZWKGOJQGFSKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057858
O=C(NCCCC(=O)N1CCn2ccnc12)c1ccccc1	MCULE-6846888145,ZINC22_585122449,EMOLS-id_177338311	298.34	ILWQNEBLFMKMGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057859
O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1n[nH]c2c1CCC2	EMOLS-id_72962071,MCULE-4269367628,ZINC22_275480414,PC-id_120425206	298.34	UHONTERYKFBBRE-DZGCQCFKSA-N	00000010100000101001100010000000000000000000000000000000	25-01-057860
O=C(NN/C(=C
/C=CC(=O)C=C1)/CC)c1n[nH]c2CCCc12	PC-id_5957591	298.34	MUFZQWQOHOAERX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-057861
O=C(N/N=C/c1ccc(OCC)cc1)c1n[nH]c2CCCc12	PC-id_9652975	298.34	PBJAJAYZPZMSIB-LICLKQGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057862
O=C(NN=C(c1cc(OC)ccc1)C)c1n[nH]c2CCCc12	PC-id_3881767	298.34	JQJSNBYNKLNQTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057863
O=C(NNC(=C)c1ccc(OC)cc1)c1n[nH]c2CCCc12	PC-id_4068761	298.34	XINFNQOXZCDSDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057864
O=C(NNC(=C)c1cc(OC)ccc1)c1n[nH]c2CCCc12	PC-id_2048815	298.34	XMVJXJNGKPOEQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057865
O=S(=O)(/N=C(/O)c1cscn1)c1cnc2n1CCC2	PC-id_121590876,ZINC22_330031617,MCULE-2286444919,EMOLS-id_73013296	298.341	BFBCHJYCBQGQCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057866
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)c1ncccn1	MCULE-5979872220,EMOLS-id_321295063	298.343	LQYUTJCDVSHXEB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057867
Nc1ccnc(n1)C1CCCN1C(=O)c1nn2c(c1)CCC2	MCULE-3135212908,EMOLS-id_320309915	298.343	SAMNWZFVXJYMAR-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-057868
N#CCCn1ncc(c1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_320187221,MCULE-8244416824	298.343	HKZKDNRKBMKXGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057869
N#CCCn1ncc(c1C)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319737338	298.343	HRSCLIKVPQVBGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057870
N#CCCn1ncc(c1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320285288,MCULE-5514578839	298.343	OTHVPECWDVDYAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057871
N#CCCn1ncc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319940652,MCULE-9847167583	298.343	SYZAJWUOHUBLNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057872
O=C(c1c2c(CCC2)[nH]n1)N1CCN(c2ncccn2)CC1	EMOLS-id_110527425,PC-id_110388861,MCULE-6036169313	298.343	ZIVKYYBIPBDKCZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057873
O=C(c1cnc(nc1N)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_318812332	298.343	IUYWTEYCROSRFC-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-057874
O=C(c1cnn2c1CCC2)N1CCN(CC1)c1ccnnc1	EMOLS-id_318938030	298.343	ULKPCZBSOVVQHG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057875
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)c1ccncc1	MCULE-7635483693,EMOLS-id_320174122	298.343	IZENHSQQTKBWHI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-057876
O=C(c1nn2c(c1)CCC2)N1CCN(CC1)c1ccnnc1	MCULE-1265313109,EMOLS-id_320281865	298.343	DBMJDAKCNIPBBZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057877
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)c1ccnnc1	EMOLS-id_319571175	298.343	JKRURTSJXZLMGG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057878
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)c1cnccn1	EMOLS-id_110346778	298.343	JJWAROWXPZMSEI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-057879
O=C(Nc1cccnc1N1CCCC1)N1CCn2ccnc12	ZINC22_585086377,MCULE-9655724733,EMOLS-id_177280140	298.343	OMTSCLHCUSWDCU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-057880
O=C(N(Cc1n[nH]c2c1CCC2)C)c1c2n(nc1)ccn2C	PC-id_50960239	298.343	PWMHJZDLSLLTIU-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-057881
S1Cc2c(noc2NC(=O)CSc2n(nnn2)C)C1	PC-id_49719005	298.345	ACRBEFPHHMHPMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057882
Fc1ccc(cc1)N(C(=O)c1[nH]c2c(c1)CCC2)C1CCC1	EMOLS-id_318779627	298.355	WOJQUVSLECGIGJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-057883
Fc1ccc(cc1)S(=O)(=O)Nc1nc2CCCc2s1	PC-id_3488775,EMOLS-id_181477821,MCULE-3792650991	298.356	UDHRVZVMUYORGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057884
Fc1cccc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_317968905	298.356	NKRRJNZUDBLBMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057885
Fc1ccccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_56828364,EMOLS-id_36992444	298.356	JXDBLNMTWNXZHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057886
S(=O)(=O)(c1ccc(cc1)F)Nc1snc2CCCc12	PC-id_54774501,MCULE-4228579927	298.356	GTXOKIASOYSPCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057887
c12CN(Cc1sc(C(=O)OC)c2N)C(=O)OC(C)(C)C	PC-id_66748207,SCHEMBL624102,MCULE-4260725495,EMOLS-id_44472402,ZINC22_91692280	298.358	QTDSBZKHMDNLMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057888
c12CN(Cc1sc(N)c2C(=O)OC)C(=O)OC(C)(C)C	MCULE-8260065940,SCHEMBL18034681,EMOLS-id_331064611,PC-id_122504383	298.358	VVMRSPXYAZBGTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057889
c12CN(Cc1sc(OC)c2C(=O)N)C(=O)OC(C)(C)C	MCULE-9010385379,EMOLS-id_331063843	298.358	LDILYGRSUOMNLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057890
C1Cc2coc(c2C1)C(=O)N1CCC(C1)CS(=O)(=O)N	MCULE-9796118806,PC-id_136566100,EMOLS-id_316983225	298.358	RQOWMTNLKVVQBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057891
c1(c(C(=O)OC)c2c(CCC2)s1)NC(=O)NCCCO	MCULE-4857810822,TIMTEC460814,PC-id_8035491,EMOLS-id_4739316,STOCK6S-09776,ZINC22_6670316,CoCoCo_6533747	298.358	SVUICXKMRISOJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057892
c1(NC(=O)CN(C)CCO)sc2c(CCC2)c1C(=O)O	PC-id_28866168,MCULE-5931898057	298.358	YYJXTQADRAKXQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057893
c1(NC(=O)NCC(C)O)sc2c(CCC2)c1C(=O)OC	MCULE-8858110483,STOCK6S-12114,PC-id_17584060,EMOLS-id_4742745	298.358	ZQGUDKUYNXXVLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057894
c1(NC(=O)NCCO)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6689950,ZINC22_20100250,PC-id_25249127,MCULE-9904833584,EMOLS-id_12606622	298.358	WEVIPGVGVQWYLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057895
c1(NC(=O)OC(C)(C)C)sc2c(CC(C(=O)OC)C2)n1	MCULE-2121696975,EMOLS-id_317436204	298.358	XFIVAAPCYZCCSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057896
c1(sc2c(CCC2)c1C(=O)OC)NC(=O)N(C)CCO	ZINC22_6662291,MCULE-6787099932,STOCK6S-07085,PC-id_8030687,CoCoCo_1097239,EMOLS-id_4735294	298.358	AZALEPXRJARRRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057897
CCOC(=O)C1CCc2c1nc(s2)NCCC(=O)OC	PC-id_104288086	298.358	LNWHODDLGWNCBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057898
CCOC(=O)C1CCc2c1nc(s2)NC(C(=O)OC)C	PC-id_104288308	298.358	VOWYCHOMNXRMOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057899
CCOC(=O)c1c(NC(=O)[C@@H](N)CO)sc2CCCc12	EMOLS-id_327901242,MCULE-1664296394	298.358	IMLDRSGTKZTTCW-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057900
CCOC(=O)CCCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288882	298.358	WWUOYJKMKNQERG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057901
CCOC(=O)CNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104288025	298.358	OGZJUNXYUCXDMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057902
COC1(COCC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104766964	298.358	CMYUCWPRHOCXNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057903
COC(=O)c1c(NC(=O)NC[C@@H](C)O)sc2c1CCC2	PC-id_8069742,ZINC22_6755341	298.358	ZQGUDKUYNXXVLY-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057904
COC(=O)c1c(NC(=O)NC[C@H](C)O)sc2c1CCC2	ZINC22_6755337,PC-id_8069741	298.358	ZQGUDKUYNXXVLY-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057905
COC(=O)C(C(C)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288353	298.358	PHSGMCMOPDBSRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057906
NCC(C(=O)Nc1sc2c(c1C(=O)OC)CCC2)OC	PC-id_106112570	298.358	NKGDNFQYOUZNGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057907
O=C(c1nc2c(s1)CCC2)N1C[C@@H](CO)O[C@H](CO)C1	ZINC22_2325808337	298.358	RKUOFHPIEMXNFA-IUCAKERBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057908
O=C(c1nc2c(s1)CCC2)N1C[C@H](CO)O[C@@H](CO)C1	ZINC22_2325808338	298.358	RKUOFHPIEMXNFA-RKDXNWHRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057909
s1c2c(CCC2)c(c1NC(=O)C(N)COC)C(=O)OC	PC-id_81088307	298.358	LNOZPPIMWFPWTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057910
s1c2c(CCC2)c(c1NC(=O)COCCN)C(=O)OC	PC-id_79479847	298.358	XKDOOZLBGDKDIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057911
S1(=O)(=O)Cc2c(nn(c2)CCCCCOC(=O)C=C)C1	PC-id_10756500	298.358	HTSXCKPAFDRDPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057912
S1(=O)(=O)Cc2n(ncc2C1)CCCCCOC(=O)C=C	PC-id_10732824	298.358	VUZJQLUUHRFNPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057913
S(C1CCn2c1c(cc2)CO)C[C@H](NC(=O)C)C(=O)O	PC-id_21120542	298.358	LWGZLJYPTIMOMC-VUWPPUDQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057914
S(C1CCn2c1c(cc2)CO)CC(NC(=O)C)C(=O)O	PC-id_125499	298.358	LWGZLJYPTIMOMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-057915
c1(c2CCCc2sc1N)C(=O)c1ccc(cc1C#N)OC	PC-id_86811553,EMOLS-id_50023318,MCULE-4168358934	298.36	NVSALYATSGTFDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057916
c1(cccc(C)c1O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4874705640,EMOLS-id_327904610	298.36	CUHUMRFKIGSRNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057917
c1(C#N)c2CCCc2sc1N=Cc1cccc(OC)c1O	MCULE-8309668334	298.36	JDXQTZXDJDGKOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057918
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	BAS-04435877,SPECS-id_AN-153/I236325,CoCoCo_322422,MCULE-3125152657,EMOLS-id_1452966,ZINC22_263491,PC-id_775351,SPECS-id_AK-968/40075918	298.36	BCPIVQSQMPIYNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057919
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C#N	ZINC22_566915,ChEMBL-DNDi_CHEMBL1305493,MCULE-1325459483,SPECS-id_AP-970/40077956,CoCoCo_356027,SPECS-id_AN-153/I170085,BAS-06848342,EMOLS-id_1487138,PC-id_958575,CHEMBL1305493	298.36	NXCKUQHMCRZBRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057920
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_1452964,ZINC22_244034,MCULE-3548351722,BAS-04435875,ChEMBL-DNDi_CHEMBL1000-0554,SPECS-id_AP-970/40130984,SPECS-id_AN-153/I181368,CoCoCo_322421,PC-id_766952	298.36	MMDCNYUHIUDGDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057921
C=CCSc1cc2n(c1C(=O)c1ccco1)CCC2C#N	PC-id_70450910,SCHEMBL10818786	298.36	CRYSWTVHIXVFFF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-057922
C=CCSc1cc2n(c1C(=O)c1cocc1)CCC2C#N	PC-id_70450228,SCHEMBL10816724	298.36	PACGMLVZUXZMCU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-057923
COc1c(ccc(c1)C=Nc1c(c2c(s1)CCC2)C#N)O	PC-id_135700266	298.36	LCVRMPOVIDMXNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057924
COc1ccc(cc1C#N)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318712607	298.36	IVUBWHALAOEABK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057925
COc1cccc(c1NC(=O)c1sc2c(c1)CCC2)C#N	EMOLS-id_318507858,PC-id_107467918	298.36	AEGUJFZUARHGLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057926
COc1cccc(c1O)/C=Nc1sc2c(c1C#N)CCC2	CoCoCo_6709092	298.36	JDXQTZXDJDGKOK-NVMNQCDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057927
COc1cccc(/C=N/c2sc3c(c2C#N)CCC3)c1O	EMOLS-id_46408517,TIMTEC234886,PC-id_135647055,ZINC22_4150735,CoCoCo_6709091	298.36	JDXQTZXDJDGKOK-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057928
C(=O)(Nc1sc2CCCc2c1C#N)Cc1ccc(cc1)O	MCULE-6148961257,PC-id_28643026,EMOLS-id_328023989	298.36	FLHKZPVNKGBTKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057929
N#Cc1ccc(c(c1)NC(=O)c1sc2c(c1)CCC2)OC	EMOLS-id_318487219	298.36	WQMCFVBHSXKFDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057930
N#Cc1ccc(c(c1)OC)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318423581,PC-id_104848947	298.36	UABRKXCCIKQPHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057931
N#Cc1c(NC(=O)C2CC2c2ccco2)sc2c1CCC2	EMOLS-id_44503324,MCULE-3257750304,PC-id_71936640	298.36	JFGSZLRSOLMBHB-UHFFFAOYSA-N	00100010101000000000100010000000000000000000000000000000	25-01-057932
N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccco2)sc2c1CCC2	PC-id_97012759,ZINC22_84432204	298.36	JFGSZLRSOLMBHB-QWRGUYRKSA-N	00100010101000000000100010000000000000000000000000000000	25-01-057933
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccco2)sc2c1CCC2	PC-id_97012760,ZINC22_84432206	298.36	JFGSZLRSOLMBHB-GHMZBOCLSA-N	00100010101000000000100010000000000000000000000000000000	25-01-057934
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)sc2c1CCC2	PC-id_97012761,ZINC22_84432209	298.36	JFGSZLRSOLMBHB-WDEREUQCSA-N	00100010101000000000100010000000000000000000000000000000	25-01-057935
N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccco2)sc2c1CCC2	ZINC22_84432200,PC-id_97012758	298.36	JFGSZLRSOLMBHB-MNOVXSKESA-N	00100010101000000000100010000000000000000000000000000000	25-01-057936
N#Cc1c(NC(=O)COc2ccccc2)sc2c1CCC2	BAS-06848391,MCULE-6241308741,SPECS-id_AG-690/11153033,PC-id_2318916,CK1352697,ZINC22_3187512,EMOLS-id_1487156,SPECS-id_AN-153/I226313,CoCoCo_356036	298.36	KCCLIPNHYKZKCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057937
OCC#Cc1ccnc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_102820868	298.36	OAUNWPZSSJXORO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057938
O=C(Nc1sc2CCCc2c1C#N)OCc1ccccc1	EMOLS-id_313733196	298.36	RPKWJSOJPDYSTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057939
s1c2CCCc2cc1C(=O)Nc1ccc(OCC#N)cc1	PC-id_31363766	298.36	BEEFVLIWSHHRNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057940
s1c2CCCc2cc1C(=O)Nc1cc(OCC#N)ccc1	PC-id_43369146	298.36	REIDURDEFGVYPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057941
s1c2CCCc2cc1C(=O)Nc1c(OCC#N)cccc1	PC-id_43175500	298.36	SGFAWHYPSZISQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057942
s1c2CCCc2cc1C(=O)Nc1nc(ccc1)C#CCO	PC-id_60803844	298.36	OCNJIABNBVGXFC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057943
s1c2CCCc2c(c1N/C=C
/C=C(OC)C(=O)C=C1)C#N	PC-id_23907761	298.36	QVJQVDSCQSZZIP-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-057944
s1c2CCCc2c(c1NC=C1C=C(OC)C(=O)C=C1)C#N	PC-id_74194430	298.36	QVJQVDSCQSZZIP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-057945
s1c2CCCc2c(c1N=Cc1cc(O)c(OC)cc1)C#N	PC-id_23993780	298.36	CKMPLCHJSZHSEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057946
s1c2CCCc2c(c1N/C=C/1C(=O)C(=CC=C1)OC)C#N	PC-id_25250888	298.36	IEQOKWWLYRDHTN-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-057947
s1c2CCCc2c(c1N/C=C
/C(=O)C(=CC=C1)OC)C#N	PC-id_6070125	298.36	IEQOKWWLYRDHTN-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-057948
s1c2CCCc2c(c1NC=C1C(=O)C(=CC=C1)OC)C#N	PC-id_6824000	298.36	IEQOKWWLYRDHTN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-057949
s1c2CCCc2nc1NC(=O)c1ccc(cc1)C#CCO	PC-id_61510179	298.36	QXZGXENXZACLGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057950
s1c2CCCc2nc1NC(=O)c1c(cccc1)C#CCO	PC-id_61510180	298.36	UBLCTYIMSCZTIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057951
s1c2CCCc2nc1NC(=O)c1cc(ccc1)C#CCO	PC-id_61510223	298.36	KKMAIGANTHAQFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057952
c1(NC(=O)C)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138889,MCULE-6197993669,PC-id_30862214,EMOLS-id_24913227,CoCoCo_5277546	298.361	TZBLVQXVIDPHSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057953
CC1CCNC(=O)C1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97685401	298.361	CFBABSNOVSBCJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057954
CCC1C(=O)NCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100178396	298.361	XBBFMAUJYWWYRW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057955
CCC(=O)N1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102241844	298.361	HFCCSLWMNPXXNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057956
CCN1CC(CC1=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101318272	298.361	BDNILRWIRVPBSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057957
CCN1CCN(CC1=O)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100237639	298.361	LCNJDRONXUTOMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057958
CCOC(=O)C1CCc2c1nc(s2)NCCNC(=O)N	PC-id_104289234	298.361	KONPEJSCZBFQAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057959
CC(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100194702	298.361	ZMKNYJHUVDRFFY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057960
CS(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_110291271,MCULE-2666365477	298.361	MOUOMBIHRFRFQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057961
NC(=O)C1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173977	298.361	DNUMMFVMTIEHQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057962
NC(=O)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173980	298.361	FNBXCDFQDGPCAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057963
NC(=O)C1(C)CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100388299	298.361	PUFKZBPRGWPHPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057964
O=C1CCC(CN1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184757	298.361	CRBDLRKHAZXWCE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057965
O=C1N(C)CCC1N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_98582722	298.361	CHLPZPHRCAJVRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057966
O=C1NCCCCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184382	298.361	VCAXMUJUSVLMSE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-057967
O=C1NCCN(C1(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176440	298.361	GBTYNGRIOOLLMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057968
O=C(C1CCCC1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68440614,SCHEMBL2918451	298.361	SQEGCSYBUPEYHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057969
O=C(C1CN(C1)S(=O)(=O)C)NC1CC(n2c1ncc2)C	EMOLS-id_278892995	298.361	ATLWPKUFPLTBMN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057970
O=C(C1CN(C1)S(=O)(=O)C)Nc1n(C)nc2c1CCC2	MCULE-4953429498,EMOLS-id_319937243	298.361	BZDBMPLITULNRG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057971
O=C(C1CN(C1)S(=O)(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318806743	298.361	JANKKTBERRBPAP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-057972
O=C(c1n[nH]c2c1CCC2)N1CCCC1CS(=O)(=O)N	EMOLS-id_110969238	298.361	SORPXSNLZNGRSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057973
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)S(=O)(=O)N	EMOLS-id_110467737	298.361	BRQOZRFQXBYXRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057974
O=C(CN1CCCS1(=O)=O)Nc1n(C)nc2c1CCC2	EMOLS-id_110789522	298.361	RKZKWNONVGVDRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057975
O=C(CN1CCCS1(=O)=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318803197	298.361	WVLUVTXWUPGLLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057976
O=C(N1CCS(=O)(=O)CC1)NCc1n[nH]c2c1CCC2	MCULE-5417651276,EMOLS-id_320120355	298.361	RAJOMOYTKCCHAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-057977
OC(=O)C1CCc2c1nc(s2)NCCNC(=O)N(C)C	PC-id_104289229	298.361	PTTHCYPUUVALFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057978
s1c2=NCCn2c(=O)/c/1=C(/NNC(=O)OC(C)(C)C)C	PC-id_11822640	298.361	XMNRWHYYVJYYFC-FPLPWBNLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-057979
s1c2=NCCn2c(=O)c1=C(NNC(=O)OC(C)(C)C)C	PC-id_73117373	298.361	XMNRWHYYVJYYFC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-057980
S1(=O)(=O)CC(CC1)C(=O)NCCc1n2CCCc2nn1	PC-id_60445730	298.361	IGNVAYITXFAMQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-057981
c1ccc(c(c1)OCc1nnc2n1CCC2)c1nccs1	MCULE-5098744563,EMOLS-id_320118784	298.363	VNGWBXDPSOCQRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057982
c1cc(OCc2nnc3n2CCC3)cc(c1)c1nccs1	EMOLS-id_318956278	298.363	NPRDISRVRJNYSO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-057983
c1(NC(=O)NCc2cccnc2)sc2c(CCC2)c1C#N	EMOLS-id_4738770,MCULE-5885284273,ZINC22_6670082,PC-id_8035228,STOCK6S-09400	298.363	AUCCGLRDJYOJJZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057984
Cc1cccc(CC(=O)Nc2nc3n(c2C#N)CCS3)c1	PC-id_72132817,ZINC22_72287810,MCULE-3153300013,EMOLS-id_42895003	298.363	LTDZMMYOGXCVQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057985
C(=O)(Nc1sc2CCCc2c1C#N)CCc1cncnc1	MCULE-4527541085,EMOLS-id_328136131	298.363	YLGVJPXULBBKPM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-057986
N#Cc1c(NC(=O)c2ccccc2CC)nc2n1CCS2	EMOLS-id_318446608	298.363	GTBBANXQJBCIOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057987
N#Cc1c(NC(=O)c2ccc(cc2)CC)nc2n1CCS2	EMOLS-id_318480691	298.363	IFXZHXAJNWJTDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057988
N#Cc1c(NC(=O)C(c2ccccc2)C)nc2n1CCS2	EMOLS-id_318619136	298.363	SAEDLMJLZMXCON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057989
N#Cc1c(NC(=O)Cc2ccc(cn2)N)sc2c1CCC2	PC-id_107338383	298.363	OPHVPOGLCVLTFD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057990
N#Cc1c(NC(=O)[C@@H](c2ccccc2)C)nc2n1CCS2	EMOLS-id_318618880	298.363	SAEDLMJLZMXCON-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-057991
N#Cc1c(NC(=O)[C@H](c2ccccc2)C)nc2n1CCS2	EMOLS-id_318703312	298.363	SAEDLMJLZMXCON-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-057992
NCc1nccc(c1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_114326309	298.363	CJTOJKXZKPRGLP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057993
NCC#Cc1cccnc1C(=O)Nc1sc2c(n1)CCC2	PC-id_107524038	298.363	DWWLGVNAHQSFEG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057994
s1c2CCCc2c(c1NC(=O)c1cc(N)cc(N)c1)C#N	PC-id_61117151	298.363	DMQFLPYONDYSDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057995
s1c2CCCc2c(c1NC(=O)c1c(ncc(N)c1)C)C#N	PC-id_61117041	298.363	URLWOSMQTKRPHF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-057996
s1c2CCCc2c(c1NC(=O)c1c(N)cc(N)cc1)C#N	PC-id_61117150	298.363	JCBARFZNBMBWKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-057997
s1c2CCCc2nc1NC(=O)c1cc(cnc1)C#CCN	PC-id_61547169	298.363	XUZLBXKBLOERBA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057998
s1c2CCCc2nc1NC(=O)c1c(cncc1)C#CCN	PC-id_66483306	298.363	KXMZYRNESJWCTR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-057999
s1c2CCCc2nc1NC(=O)c1ncc(cc1)C#CCN	PC-id_62953168	298.363	IXLNPSFRAMWFHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058000
s1c2CCCc2nc1NC(=O)CNc1ccc(cc1)C#N	PC-id_52332087	298.363	PGLBFDZBSZQMKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058001
C[C@@H](NC[C@H]1CN(C)CCC1(F)F)c1cnn2c1CCC2	ZINC22_2325783636	298.375	OXNNJKGXADPGON-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058002
C[C@H](NC[C@@H]1CN(C)CCC1(F)F)c1cnn2c1CCC2	ZINC22_2325783637	298.375	OXNNJKGXADPGON-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058003
C[C@H](NC[C@H]1CN(C)CCC1(F)F)c1cnn2c1CCC2	ZINC22_2325783638	298.375	OXNNJKGXADPGON-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058004
C[C@@H](NC[C@@H]1CN(C)CCC1(F)F)c1cnn2c1CCC2	ZINC22_2325783639	298.375	OXNNJKGXADPGON-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058005
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)OCC1CC1	EMOLS-id_330959088,MCULE-3770551269	298.379	ZTXPUAGRRGXWCI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058006
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)CCC)n1	EMOLS-id_330981884,MCULE-1213487080	298.379	AOFODXRJAFOZAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058007
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)C(C)C)n1	EMOLS-id_330982140,MCULE-1078506709	298.379	DNIUVRIKOBDVPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058008
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2C(C)C)n1	MCULE-7111136564,EMOLS-id_330986996	298.379	RDCLETUCKPGHCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058009
c1(C(=O)O)c2C(C)CCc2n(Cc2c(C)cc(cc2C)C)n1	EMOLS-id_330986740,MCULE-4064104910	298.379	SDKOBMOYTCTDLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058010
c1(C(=O)O)c2C(C)CCc2n(Cc2c(C)cc(c(C)c2)C)n1	MCULE-8032413391,EMOLS-id_330986484	298.379	NDOVVYLKCHKTOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058011
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(C(C)C)c2)n1	MCULE-5526463926,EMOLS-id_330985717	298.379	ACQKNKIZVSUISC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058012
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1C(C)C	EMOLS-id_330970032,MCULE-7014901686	298.379	XLMIVQJLAWPSRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058013
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)CCC	MCULE-4544350378,EMOLS-id_330969015	298.379	WFCQXYUOZIMEJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058014
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)C(C)C	MCULE-6643239442,EMOLS-id_330965176	298.379	PUTZZHFXIDKCJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058015
c1(C(=O)O)c2C(C)CCc2nn1Cc1c(C)cc(c(C)c1)C	MCULE-3960828399,EMOLS-id_330969520	298.379	MAULHEWHZRPWBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058016
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(C(C)C)c1	EMOLS-id_330972848,MCULE-3110924486	298.379	BUYVZUJNNGYBNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058017
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)CC	EMOLS-id_330970545,MCULE-3379560932	298.379	HAJLJYMVYSWWLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058018
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1C)C	EMOLS-id_330970801,MCULE-2997401856	298.379	FMCVOTAGZKNSGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058019
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccccc1CC	MCULE-9248747954,EMOLS-id_330970805	298.379	STVFKDHISSKPRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058020
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(C)ccc1C	EMOLS-id_330973107,MCULE-2335111565	298.379	LPBFHINQRFAGKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058021
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)C	MCULE-2205037926,EMOLS-id_330970289	298.379	LSCUFQJZUWXQOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058022
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(C)c1C	MCULE-5621626802,EMOLS-id_330970292	298.379	DGXKYEXPWYOHDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058023
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(CC)c1	MCULE-4651186820,EMOLS-id_330969268	298.379	LWLSAMCEEAAVQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058024
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(C)cc(C)c1	MCULE-7270014336,EMOLS-id_330970036	298.379	FFLJBMVMOPPBCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058025
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)CC)n1	EMOLS-id_330990834,MCULE-9432459074	298.379	BRNCOAARQBAUKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058026
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2CC)n1	EMOLS-id_330991098,MCULE-3326701572	298.379	DZAMGXRZHPCWLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058027
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2C)C)n1	MCULE-9963817005,EMOLS-id_330992114	298.379	YPJNCRFSTDOYSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058028
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(C)c2C)n1	EMOLS-id_330990842,MCULE-8767951017	298.379	JIXOWQAAZWAKIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058029
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(C)cccc2C)n1	MCULE-5768542889,EMOLS-id_330990586	298.379	NLAUHRAMTCOTNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058030
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(C)c2)C)n1	MCULE-7376427341,EMOLS-id_330990578	298.379	KQTTXAWTFAWIDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058031
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)ccc2C)n1	MCULE-9784029459,EMOLS-id_330990330	298.379	LINPWGDKCYAEBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058032
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)cc(C)c2)n1	EMOLS-id_330990075,MCULE-1647306970	298.379	SWGAFWSXHXFHJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058033
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(CC)c2)n1	MCULE-8506423271,EMOLS-id_330990331	298.379	IUTNOSYMBMWCLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058034
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)CC	EMOLS-id_330972605,MCULE-6444583923	298.379	YWGOUIBHLHVBSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058035
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1CC	EMOLS-id_330976949,MCULE-9085991318	298.379	NNENZZORNYBMNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058036
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1C)C	MCULE-8696247399,EMOLS-id_330969790	298.379	MUKVIGLWDDALOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058037
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)ccc1C	EMOLS-id_330976181,MCULE-4505331232	298.379	YFBKXGBQBAHUDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058038
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(C)c1C	MCULE-1851563047,EMOLS-id_330976693	298.379	VEXQSQPJRDMICR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058039
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)C	MCULE-6460657755,EMOLS-id_330972349	298.379	QSXHCWHMHYGQOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058040
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)cc(C)c1	EMOLS-id_330975926,MCULE-9447593696	298.379	IENBIPKYYSLUTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058041
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(CC)c1	MCULE-9828260254,EMOLS-id_330976182	298.379	WTBURAMLGBXUNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058042
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C	MCULE-1765767027,EMOLS-id_330973879	298.379	SODURGIWDPLHST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058043
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccccc1C	MCULE-6711049553,EMOLS-id_330974395	298.379	LNDNFZNVQWXPBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058044
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(C)c1	EMOLS-id_330976697,MCULE-1508352982	298.379	MLVUGDHGPCBTEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058045
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)C)n1	EMOLS-id_330994936,MCULE-3564837541	298.379	SZWPTOVOEOKJGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058046
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2C)n1	MCULE-1515282752,EMOLS-id_330999280	298.379	JMXXGEXKHRUWRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058047
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(C)c2)n1	MCULE-5467162407,EMOLS-id_330999025	298.379	SHSHTXVJDOZELU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058048
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)C	EMOLS-id_330979763,MCULE-4209208797	298.379	LMFHLECTMGQJTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058049
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1C	MCULE-9593046315,EMOLS-id_330980027	298.379	SUUGCMFOUOIWED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058050
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(C)c1	MCULE-5228187146,EMOLS-id_330979772	298.379	JHBCWUCVWUVIHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058051
CC1CCc2c1c(CO)nn2Cc1cccc(OC2CC2)c1	EMOLS-id_331008503,MCULE-5099032382	298.379	FPZIRFLMOALXSN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058052
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(C(=O)O)c12	MCULE-8825921388,EMOLS-id_330969776	298.379	HTLJRUIZMPTTEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058053
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(CO)c12	MCULE-4186423800,EMOLS-id_330991282	298.379	SGTVZDKTGIIBPX-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058054
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(O)c12	EMOLS-id_331005357,MCULE-7693475078	298.379	LWLFWBPVKIFNLB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058055
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1C(=O)O	EMOLS-id_330971061,MCULE-8221424107	298.379	HPPMKMWWTSMVQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058056
C=Cc1cn2c(n1)O[C@@H](C2)COc1ccc(cc1)C(C)(C)C	PC-id_140261673	298.379	CIMYEPMSOZSLAT-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058057
CC(C(c1cccnc1)CNC(=O)c1occ2c1CCC2)C	MCULE-5311648884,EMOLS-id_177236095	298.379	AKOBTTGUKJSKPE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058058
CC(C)[C@H](CNC(=O)c1occ2c1CCC2)c1cccnc1	ZINC22_585081781	298.379	AKOBTTGUKJSKPE-INIZCTEOSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058059
CC(C)[C@@H](CNC(=O)c1occ2c1CCC2)c1cccnc1	ZINC22_585081782	298.379	AKOBTTGUKJSKPE-MRXNPFEDSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058060
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1	MCULE-1158612435,EMOLS-id_330985148	298.379	FGSJCZYGXFEBMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058061
CCCOc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1	MCULE-4381189912,EMOLS-id_330984892	298.379	UVNPDGLVGOSSHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058062
CC(C)Oc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1	EMOLS-id_331005425,MCULE-4039666427	298.379	JMGGRDOEHIRKJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058063
CCCOc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1	MCULE-1542646810,EMOLS-id_331005169	298.379	ABYSKHCKPJIGFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058064
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C=O	MCULE-4889030490,EMOLS-id_330988212	298.379	AUYHQHHPBHIVNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058065
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1C=O	MCULE-8434846733,EMOLS-id_330989494	298.379	ZBQYRGDYXLIQML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058066
CCOc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1C	EMOLS-id_330981565,MCULE-9888116345	298.379	XVQVEXDBDHLRFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058067
CCOc1ccc(Cn2nc3CCC(C)c3c2C=O)c(C)c1	MCULE-7735501709,EMOLS-id_330983612	298.379	PAZVVWFBVWVZCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058068
CCOc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1C	EMOLS-id_331005937,MCULE-9598234159	298.379	KFGGVYIMOSLAFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058069
CCOc1ccc(Cn2nc(C=O)c3C(C)CCc23)c(C)c1	MCULE-8422691791,EMOLS-id_331003889	298.379	IJDRTRWVYYVVHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058070
CC(O)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6254823865,EMOLS-id_328214388	298.379	GBXXHTBSNKANSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058071
CN(CCO)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338588,MCULE-4339348530	298.379	UNKFCUZGOIIWGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058072
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1C=O	MCULE-4606275494,EMOLS-id_330986676	298.379	VIUGKKHFTLLFQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058073
COc1c(C)cc(Cn2nc3CCC(C)c3c2C=O)cc1C	EMOLS-id_330985404,MCULE-8911384994	298.379	ZGMIQSMMEVRWQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058074
COc1cc(C)c(Cn2nc3CCC(C)c3c2C=O)cc1C	MCULE-9169954376,EMOLS-id_330984636	298.379	KIURVZORDDYNAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058075
COc1ccc(C(C)n2nc3CCC(C)c3c2C=O)c(C)c1	EMOLS-id_330986932,MCULE-8074270996	298.379	GRPDTCLRNUXCDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058076
COc1cc(C)c(Cn2nc(C=O)c3C(C)CCc23)cc1C	EMOLS-id_331004913,MCULE-6186258316	298.379	VBUMWJTWQNOCAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058077
COc1c(C)cc(Cn2nc(C=O)c3C(C)CCc23)cc1C	MCULE-1040282890,EMOLS-id_331005681	298.379	XPNAYTPCDJZGSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058078
COc1ccc(Cn2nc3CCC(C)c3c2C=O)c(C)c1C	MCULE-8138815986,EMOLS-id_330984380	298.379	DMZOIVLQDQCYJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058079
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)c(C)c1C	EMOLS-id_331004657,MCULE-1599353460	298.379	OVDPAQNKRVJLQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058080
COCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328210558,MCULE-8894707071	298.379	GTRBRLQJHWNUGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058081
COC(=O)c1c2C(C)CCc2nn1Cc1c(C)cccc1C	EMOLS-id_330976437,MCULE-2349368512	298.379	QHYPLYFKIAASJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058082
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCO	EMOLS-id_328216180,MCULE-9539560748	298.379	RZNADVUVMSHCIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058083
O=C(c1occ2c1CCC2)NCc1cnccc1C(C)(C)C	EMOLS-id_318466227	298.379	XFYTYCGXZGUTDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058084
OC(=O)CC1c2n(c(nc2CC1)C(C)C)Cc1ccccc1	PC-id_58460210,SCHEMBL12199310	298.379	USPWQMGPFGKMSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058085
c1(NC(=S)NC(=O)C)sc2c(CCC2)c1C(=O)OC	SPECS-id_AN-153/I206620,TIMTEC551808,ZINC22_6856962,MCULE-7725660786,EMOLS-id_3766864,PC-id_4778124,SPECS-id_AT-084/J171383,CoCoCo_6183866	298.381	XNGVITGYAKSEMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058086
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCO	EMOLS-id_186630204,MCULE-5886128263	298.381	FNOSYJRUPVDCRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058087
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)COC	EMOLS-id_186619360,MCULE-1071586348	298.381	YXJDACZLSIHSJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058088
CC1(C)CCc2c1nc(s2)NS(=O)(=O)c1cocc1	EMOLS-id_318750514	298.381	ZDIGBGPUYGXDGQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-058089
Cc1oc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318594138	298.381	DHGNWWHMYDUFCF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-058090
CCS(=O)(=O)CC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_48745963,PC-id_75416889,MCULE-6273945134,ZINC22_64680085	298.381	CGMHJMUTWYCAOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058091
s1c2c(CCC2)c(c1NC(=O)CSC(=O)C)C(=O)N	PC-id_16949122	298.381	DOQZBVCWBKPJPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058092
c12CN(Cc1nn(C(C)C)c2C(=O)NC)Cc1ccccc1	MCULE-9350128065,EMOLS-id_324350575	298.383	FTPMTGMJSBFNJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058093
c12CN(Cc1nn(C(C)(C)C)c2C=NO)Cc1ccccc1	EMOLS-id_324357230,MCULE-3019573529	298.383	LTETZMAVCJCKSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058094
c1ccc(C[C@H]2Cc3nnc(CN4CCOCC4)n3C2)cc1	ZINC22_1857699756	298.383	XNDITGRBGUMHRL-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-058095
c1ccc(C[C@@H]2Cc3nnc(CN4CCOCC4)n3C2)cc1	ZINC22_1857699757	298.383	XNDITGRBGUMHRL-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-058096
c1ccc(cn1)C1OCCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318391553,MCULE-1208536534	298.383	YNFLLSVMWPJDBN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-058097
C1CCC(CO1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-2186202785,EMOLS-id_317994890	298.383	UVIKLDXAFHTSCF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-058098
C1C[C@@H](NCc2cnc3n2CCC3)C[C@@H](O1)c1ccccn1	MCULE-6018217007,EMOLS-id_320183426	298.383	PODHUFAPVOPCMO-CZUORRHYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-058099
C1CC(NCc2cnc3n2CCC3)CC(O1)c1ccncc1	EMOLS-id_318276940,MCULE-9502398497	298.383	BYIOMAPBKYVXSD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-058100
Cc1cc(C)c(c(c1)C)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318698300	298.383	PIOJNUFMUJWWNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058122
c1(CNC(=O)Nc2ccc(C)c(C)c2)c2CCCc2nn1C	EMOLS-id_53884689,PC-id_91819410,ZINC22_225818669,MCULE-6513285189	298.383	CUMDNRIVYGFWDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058101
c1(CNC(=O)NCCc2ccccc2)c2CCCc2nn1C	EMOLS-id_53884687,ZINC22_225818618,MCULE-9722957496,PC-id_91819409	298.383	LBVQFGIDJQQSQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058102
c1(C(=O)Nc2ccc(cc2)N(CC)CC)c2CCCc2[nH]n1	PC-id_110388933,EMOLS-id_179744867,MCULE-9961793739	298.383	VFLRAZZBAXKMDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058103
c1(C(=O)Nc2ccc(N(CC)CC)cc2)cn2c(CCC2)n1	MCULE-5248213433,EMOLS-id_321295580	298.383	PGGVHOAONJUUFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058104
c1(C(=O)N(C)Cc2ccccc2)cc2n(C[C@@H](N(C)C)C2)n1	MCULE-1385807278,EMOLS-id_316329783	298.383	AIGBEZAXHITHOW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058105
c1(C(=O)N(C)Cc2ccccc2)cc2n(CC(N(C)C)C2)n1	MCULE-6838206939	298.383	AIGBEZAXHITHOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058106
c1(C(=O)NCCc2ccc(cc2)N(C)C)c2CCCc2[nH]n1	ART-20297680,ZINC22_19584953,EMOLS-id_380908,PC-id_92607119,MCULE-1677950013	298.383	KQCCZTHJNPMDTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058107
c1(C(=O)N(CC)CCc2ccncc2)c2CCCc2n(C)n1	EMOLS-id_180404725,PC-id_110678739,MCULE-5515728646	298.383	BXHJSPXQOTWECR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058108
c1(C(=O)N(C)C)n(CC)nc2CN(Cc3ccccc3)Cc12	MCULE-5930174074,EMOLS-id_324351339	298.383	XWHQKURQWMQUMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058109
CC1CC(c2n1ncn2)Nc1cccc(c1)OC1CCCC1	EMOLS-id_318543909,MCULE-5180634139	298.383	SNNCDEHWVJWYEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058110
CC1CC(c2n1ncn2)NC1CCOC(C1)c1ccccc1	EMOLS-id_318721516	298.383	FKJOUOOXQGBPLD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-058111
CC1CC(c2n1ncn2)NC(c1ccccc1)C1CCCO1	MCULE-6830616637,EMOLS-id_318460794	298.383	HDKABIJWMAIBLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058112
CC1CC(c2n1ncn2)NCC1CCC(O1)c1ccccc1	EMOLS-id_318577329,MCULE-4225039940	298.383	QNVVXSFFEYJJMX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-058113
CC1CC(c2n1ncn2)NC[C@@H]1CCO[C@H]1c1ccccc1	EMOLS-id_318548633,MCULE-1585589142	298.383	KERKUBHGMJHITO-LVBITLCTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-058114
Cc1ccc(cc1)CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318428412	298.383	SWBGGQQIRYKKOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058115
Cc1cccc(c1)CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318464641	298.383	DAITXHKWJRZRNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058116
Cc1ccccc1C(=O)N1Cc2c(CN(C)C)nn(C)c2C1	EMOLS-id_46181893,PC-id_97405269,ZINC22_96084443	298.383	CXCUQGLIPFMZOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058117
Cc1ccc(cc1NC1CCn2c1ncc2)N1CCOCC1	EMOLS-id_318480001	298.383	PLAPMYZIMSJCEV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-058118
Cc1ccccc1NCCC(=O)Nc1c2c(nn1C)CCC2	EMOLS-id_33313657,PC-id_47794510,MCULE-7945431750,ZINC22_58416606	298.383	VYGIGDLNFMHDFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058119
Cc1cc(cc(c1NC(=O)c1cnc2n1CCC2)C)N(C)C	EMOLS-id_318548648	298.383	NOVJPUYQWRLQHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058120
Cc1cc(cc(c1NC(=O)c1cnn2c1CCC2)C)N(C)C	EMOLS-id_318616974	298.383	KKCXQYGAFKDJRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058121
Cc1cccc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1	ZINC22_40522729,PC-id_93615681,CoCoCo_4879931	298.383	PFDCTLBGAIRRSB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058123
Cc1cccc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)c1	ZINC22_40522732,CoCoCo_4879930,PC-id_93615682	298.383	PFDCTLBGAIRRSB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058124
Cc1ccc(CCC(=O)NCc2nnc3n2CCC3)c(C)c1	PC-id_52179125,MCULE-9072533863,ZINC22_42648743,EMOLS-id_36628274	298.383	SZKNVIJGOFSANA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058125
Cc1cccc(CN2Cc3[nH]nc(COCC4CC4)c3C2)n1	EMOLS-id_44371982,PC-id_97520296,CHEMBL3551948,ZINC22_96260218	298.383	LZRJVCZSFMZBDP-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-058126
Cc1ccc(c(n1)C(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318494318	298.383	VRLDFGNUVDEUEO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058127
Cc1ccc(c(n1)C(C)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320076525,MCULE-6909026033	298.383	SHSVQTQBWSMQPB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058128
Cc1ccc(c(n1)C(C)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318871186	298.383	NOASQUPDSUULSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058129
CC1(CNc2ccc(Cc3nnc4n3CCC4)cc2)COC1	MCULE-9725474739,ZINC22_286248719,EMOLS-id_316841328,PC-id_136541953	298.383	ZWZRJVFFOZRLEH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-058130
CC1COCCN1c1ccc(cc1)NC1CCn2c1ncc2	EMOLS-id_318695677	298.383	BSMDLGLJFMXGLH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-058131
Cc1n[nH]c(c1)C1CCCCN1C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320019606,MCULE-6190765535	298.383	XLPQENLFQPXNOT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-058132
CC1OCCC1Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318034761,MCULE-5751567609	298.383	RBSGRXXLMMCVLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058133
CCc1cc(C)cc(c1NC(=O)N1CCn2c1ncc2)CC	EMOLS-id_316644703	298.383	JQPGDYCJMCETLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058134
CC(Cc1ccc(cc1C)C)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318919023	298.383	SIQXZNXMKRIHCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058135
CC(Cc1ccccc1CNC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319053943	298.383	UMURRFQYRJJUGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058136
CCC(c1ccccc1)C(=O)NCCc1nnc2n1CCC2	PC-id_53519721,MCULE-6820239750,EMOLS-id_35706206	298.383	NYSGFNNGIGKMPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058137
CC(C)(C)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	MCULE-2139980742,EMOLS-id_31867750,ZINC22_15520176,PC-id_17506258	298.383	TXWYANUMEHUYAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058138
CCCCN(C(=O)c1c2c(nn1C)CCC2)c1ccncc1	MCULE-1425308983,ZINC22_906098516,EMOLS-id_316985333,PC-id_136570582	298.383	GHUANJGXEIAJND-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058139
CC(C)(C(=O)NCCc1nnc2n1CCC2)c1ccccc1	ZINC22_65623716,EMOLS-id_35706204,MCULE-2158646924,PC-id_53520455	298.383	IBFXQUIWEWUENI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058140
CC(C)C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91047869	298.383	WMZJCYFNYITYGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058141
CC[C@H](C(=O)NCCc1nnc2n1CCC2)c1ccccc1	PC-id_93867621,ZINC22_42502829	298.383	NYSGFNNGIGKMPN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058142
CC[C@@H](C(=O)NCCc1nnc2n1CCC2)c1ccccc1	PC-id_93867622,ZINC22_42502831	298.383	NYSGFNNGIGKMPN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058143
CCC(=O)N(c1ccc(cc1)NC1CC(n2c1ncc2)C)C	MCULE-4053851956,EMOLS-id_318724694	298.383	NDMHYAAFUACXND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058144
CC(C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1)C	PC-id_68440399,SCHEMBL2917690	298.383	CTYWQGRPDUHFNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058145
C[C@H]1C[C@H](NC(=O)CC[C@@H](C)c2ccccc2)c2ncnn12	ZINC22_617442870	298.383	RURGEDRAEOICBM-IPYPFGDCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058146
C[C@H]1C[C@@H](NC(=O)CC[C@@H](C)c2ccccc2)c2ncnn12	ZINC22_617442873	298.383	RURGEDRAEOICBM-VNHYZAJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058147
C[C@H](CCC(=O)N[C@H]1C[C@@H](C)n2ncnc12)c1ccccc1	ZINC22_617442871	298.383	RURGEDRAEOICBM-NFAWXSAZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058148
C[C@H](CCC(=O)N[C@@H]1C[C@@H](C)n2ncnc12)c1ccccc1	ZINC22_617442872	298.383	RURGEDRAEOICBM-UMVBOHGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058149
CC(N(c1ccccc1)C)CNC(=O)c1cnn2c1CCC2	EMOLS-id_316909908,MCULE-7609725106	298.383	AHGMPVWISAVLBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058150
CCNc1ccc(cc1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318793688	298.383	ZFWITTNRBTWAMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058151
CCNCc1ccccc1NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_317058570,MCULE-9281663548	298.383	MIRSOPVOUCSEMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058152
CCN(C(=O)c1cccc(c1)NC1CC(n2c1ncc2)C)C	EMOLS-id_318445202,MCULE-4761245243	298.383	JYFZUSZXYWQCNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058153
CCN(C(=O)c1ccc(cc1)NC1CCn2c1ncc2)CC	MCULE-7850005787,EMOLS-id_317727398	298.383	FVZHPJIGINGJAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058154
CC(=O)N(c1ccc(cc1)CNC1CC(n2c1ncc2)C)C	EMOLS-id_318440190,MCULE-2916129578	298.383	SWOZMJHCMLBAOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058155
CC(=O)Nc1cccc(c1)C(NCc1cnc2n1CCC2)C	PC-id_146135696	298.383	YRAUEVAMBABBQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058156
CC(=O)Nc1cccc([C@@H](C)NCc2cnc3n2CCC3)c1	ZINC22_657299716	298.383	YRAUEVAMBABBQD-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058157
CC(=O)Nc1cccc([C@H](C)NCc2cnc3n2CCC3)c1	ZINC22_657299717	298.383	YRAUEVAMBABBQD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058158
C(N1CCOCC1)c1nnc2CC(Cc3ccccc3)Cn12	EMOLS-id_323986039,MCULE-2596082153,PC-id_145941166	298.383	XNDITGRBGUMHRL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-058159
CN(c1cc(C)c(c(c1)C)NC(=O)c1cc2n(n1)CCC2)C	EMOLS-id_318413445	298.383	FRWRVSAPNLPANT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058160
CN(Cc1ccccc1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318828521	298.383	KQDQJXLAOAVUDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058161
CN(C(c1ccccc1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319396334	298.383	NMKCSDISEUWXAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058162
CN(Cc1cccc(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319627812	298.383	GGKKLCBOOQHOBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058163
CN(Cc1ccccc1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319363176	298.383	RFLKIRGUPRAGAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058164
CN(C(c1ccccc1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319395033	298.383	AICWXSHMXYESHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058165
CN(Cc1cccc(N(C)C)c1)C(=O)c1n[nH]c2c1CCC2	ZINC22_156134353,EMOLS-id_316910133,MCULE-1801827134	298.383	MLIGNULTRSVIIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058166
CN(Cc1nn(c2c1CN(C2)C(=O)c1cccc(c1)C)C)C	PC-id_97405270	298.383	AHEHUZWIMQRAQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058167
CN(C(=O)c1cc(ccc1C)NC1CC(n2c1ncc2)C)C	EMOLS-id_318286916	298.383	XMJBFEOWUBYKDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058168
CN(C(=O)c1cccc(c1)CNC1CC(n2c1ncc2)C)C	MCULE-6606868081,EMOLS-id_318426760	298.383	HYJKUOMFJHRCPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058169
CN(C(=O)c1ccc(cc1C)NCc1cnc2n1CCC2)C	EMOLS-id_318390272,MCULE-1121110694	298.383	KZHRMCKAOGSDQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058170
CN(C(=O)c1ccc(c(c1)NC1CC(n2c1ncc2)C)C)C	EMOLS-id_318347181	298.383	IXURXCFDTXKCKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058171
CN(C(=O)c1ccc(c(c1)NCc1cnc2n1CCC2)C)C	MCULE-1611180217,EMOLS-id_317997312	298.383	DOYSQZWWBIKLDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058172
CN(C(=O)c1cccc(c1)NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318366792,MCULE-5251685615	298.383	IRLRZCZYYDXRHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058173
CN(C(=O)c1cc(NCc2cnc3n2CCC3)ccc1C)C	EMOLS-id_318263122,MCULE-1721728850	298.383	YRCAWWLTAKLZPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058174
COc1ccccc1C1(CCC1)NC1CC(n2c1ncn2)C	MCULE-3296006590,EMOLS-id_318505740	298.383	IGUHJMAKQXRALJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058175
COc1cccc(c1)[C@@H]1C[C@H](C1)NC1CC(n2c1ncn2)C	MCULE-6524314987,EMOLS-id_318545574	298.383	KMZKPXQWOPBFIX-QJMLVPPDSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058176
COc1cccc(c1)N1CCC(C1)NC1CCn2c1ncc2	MCULE-9949176432,EMOLS-id_318183298	298.383	LIRJVBASYVDRNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-058177
N1CCN(CC1)c1cccc(c1)OCc1nn2c(c1)CCC2	MCULE-4513536325,EMOLS-id_318506345	298.383	RXUDAWUJYBFCFL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-058178
NCCN(C(=O)c1n[nH]c2c1CCC2)CCc1ccccc1	PC-id_120886124	298.383	XWXLOJVYYTZXEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058179
O1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318212087,MCULE-4952059472	298.383	XJQCWNBYQQBOKN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-058180
O=C(c1cccc(c1)C(C)(C)C)NCc1nnc2n1CCC2	EMOLS-id_318619294	298.383	PJZPNQVXAIMRET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058181
O=C(c1ccccc1C(C)(C)C)NCc1nnc2n1CCC2	EMOLS-id_318671509	298.383	VJYMIHPNJJDYAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058182
O=C(c1cccc(c1N)C(C)(C)C)N1Cc2c(C1)cnn2C	EMOLS-id_319623446	298.383	CSCYLPCZXSDIPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058183
O=C(c1ccc(nc1C)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318488335	298.383	FQBCENSZUGZUOG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058184
O=C(c1ccc(nc1C)C(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318625711	298.383	NWSHQMLGFGFBSE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058185
O=C(c1ccc(nc1C)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318916678	298.383	RXUKHJHAKQQZEX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058186
O=C(c1ccc(nc1C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319048372	298.383	QVHTYQNVNLNJAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058187
O=C(c1cc(n(c1C)C1CC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_318790662	298.383	NFYCMELVIHNDHZ-UHFFFAOYSA-N	00100010110000000001100010000000000000000000000000000000	25-01-058188
O=C(c1cc(n(c1C)C1CC1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_44503852,PC-id_71936263	298.383	VDAJWOSYZCNPDY-UHFFFAOYSA-N	00100010110000000001100010000000000000000000000000000000	25-01-058189
O=C(c1cc(n(c1C)C1CC1)C)NCc1cnc2n1CCC2	EMOLS-id_319770360	298.383	BLJSPXXEMBYKDM-UHFFFAOYSA-N	00100010110000000001100010000000000000000000000000000000	25-01-058190
OCC1(CNC2CC(n3c2ncn3)C)CC1c1ccccc1	MCULE-2371177982,EMOLS-id_258183981	298.383	OVFUAXLECRYCQK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058191
O=C(c1cnc2n1CCC2)NCc1cnccc1C(C)(C)C	EMOLS-id_318406143	298.383	CXSNEDLEAZTCBM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058192
O=C(c1cnn2c1CCC2)NCc1cnccc1C(C)(C)C	EMOLS-id_318441519	298.383	SAJRINAQIPSTRX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058193
O=C(C1NCc2c1c[nH]n2)NCC(c1ccccc1C)(C)C	EMOLS-id_319120052	298.383	MWKBPFAKGLMEIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058194
O=C(c1n(C)nc2c1CCC2)NCCCc1ccncc1C	EMOLS-id_319183546	298.383	QYEJWRGXOHZNRP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058195
O=C(c1[nH]c2c(c1)CCC2)N1CCC(CC1)Cc1[nH]ncc1	EMOLS-id_318950207	298.383	OMSSNORMLMXTEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058196
O=C(c1[nH]c2c(c1)CCC2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_320022034,MCULE-6918823118	298.383	FDMGYDFMTBPDQP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-058197
O=C(c1nn2c(c1)CCC2)NCc1cnccc1C(C)(C)C	EMOLS-id_318437624	298.383	BEHGDVLJJUETDS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058198
O=C(C(c1ccc(cc1)C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318709445	298.383	OVCMJWBAFLXIAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058199
O=C(C(c1ccccc1)NC1CC(n2c1ncc2)C)N(C)C	MCULE-3555974510,EMOLS-id_318705172	298.383	XTPRBAVTEGUPCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058200
O=C(C(C(c1ccccc1)N)C)Nc1n(C)nc2c1CCC2	PC-id_119822840,EMOLS-id_302171272,MCULE-5381850061	298.383	BMVXSSLMSZFKAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058201
O=C(C(C)(C)C)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_317963211	298.383	XAODTFAHVADABX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058202
O=C(C(C)C)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68440397,SCHEMBL2917686	298.383	ZCMCGOWGIGJVLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058203
O=C(C(N1CCn2c1ncc2)C)Nc1c(C)cc(cc1C)C	EMOLS-id_318569339	298.383	KNYGCMPPHZKKSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058204
O=C(CN1CCn2c1ncc2)Nc1ccc(cc1)C(C)(C)C	EMOLS-id_318495086	298.383	XIKVNCOBFLCBJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058205
O=C(C(Nc1ccccc1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319689568	298.383	QUXRPVMFPCYTHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058206
O=C(Nc1ccccc1C(C)(C)C)CN1CCn2c1ncc2	EMOLS-id_318421159	298.383	IYJWNBZDXAYLLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058207
O=C(NC1CC(n2c1ncc2)C)Nc1c(C)cc(cc1C)C	EMOLS-id_101393467	298.383	KIKLZGRSVMSLEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058208
O=C(N(Cc1ccccc1C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318455507	298.383	PVJUCXUGJKWIOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058209
O=C(N(C(c1ccccc1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318640363	298.383	PTNWQFAHULUIOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058210
O=C(NCc1cnc2n1CCC2)CNc1c(C)cccc1C	EMOLS-id_319293959	298.383	AERCJABSXIIFRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058211
O=C(N(Cc1n2CCCc2nn1)C)C(c1ccccc1)(C)C	PC-id_51308007	298.383	ZSQXXGWBDSXTTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058212
O=C(NC(c1n2CCCc2nn1)C)CCc1cc(ccc1)C	EMOLS-id_31936150,MCULE-2248101062,PC-id_45819120	298.383	PFDCTLBGAIRRSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058213
O=C(NC(c1nnc2n1CCC2)C)Cc1ccc(c(c1)C)C	EMOLS-id_318408617	298.383	GYSVUAWVQRITRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058214
O=C(NC(c1nnc2n1CCC2)C)Cc1cc(C)cc(c1)C	EMOLS-id_318670000	298.383	ZBFRDHOVLWBFJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058215
O=C(NCc1n[nH]c2c1CCC2)CNc1c(C)cccc1C	EMOLS-id_319060360	298.383	HGYGISPDTGKILD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058216
s1c2CCCc2c(c1NC(=O)C[n+]1c(cccc1)C)C#N	PC-id_8717599	298.383	KAZCVOMLRIZNMF-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-058217
s1c2CCCc2c(c1NC(=O)C[n+]1ccc(cc1)C)C#N	PC-id_8827119	298.383	ZDWFLSQCAQFEPZ-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-058218
CC1CC(c2n1ccn2)NS(=O)(=O)Cc1ncsc1	EMOLS-id_318850781	298.384	NBMPHDRGXJHFQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058219
Cc1nc(c(s1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100972114	298.384	HGJYJBNBINJCHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058220
Cc1ncc(s1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318488	298.384	HRJKAUUVUJDNTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058221
Cc1ncc(s1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319912732,MCULE-1403703171	298.384	PDHWYOBVLXWHGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058222
Cc1sc2c(n1)CN(C2)S(=O)(=O)c1cc(nn1C)C	EMOLS-id_318781265	298.384	ACTCWHPJAHNSQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058223
Cc1sc(nc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477410	298.384	UOQAFNRRKIMICX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058224
CCc1cnc(s1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705250	298.384	UPNHCJIBLKYUSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058225
CCc1ncsc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100289124	298.384	BGXUGFXRKNYSLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058226
CN(Cc1nnc2n1CCC2)S(=O)(=O)c1cccs1	ZINC22_32876311,PC-id_40111139,MCULE-5744301424,CoCoCo_4491274,EMOLS-id_25651344	298.384	OGKAXPMZAZWBNT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-058227
N#CC1CSCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100218859	298.384	GVNJCKIUUTZKGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058228
NCc1[nH]cc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053360	298.384	DVQOIIANQLIYFP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-058229
O=S(=O)(Cc1cscn1)NCc1nn2c(c1)CCC2	MCULE-3393915577,EMOLS-id_320171778	298.384	VRWYDYZFIIVRNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058230
s1c2c(CCC2)cc1CNS(=O)(=O)c1c([nH]nc1)N	PC-id_61208149	298.384	TWBKCWYZZJJJJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058231
s1c2CCCc2nc1NS(=O)(=O)c1[nH]c(nc1)CC	PC-id_64150511	298.384	RJYKYTJDXXPDIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058232
S(=O)(=O)(Nc1sc2CCCc2n1)c1c([nH]nc1C)C	PC-id_60700337	298.384	FYUDWKRHKRISKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058233
c1ccc(nn1)NC1CCN(CC1)Cc1cnc2n1CCC2	EMOLS-id_318368607,MCULE-6503395888	298.386	SVNYCMYTDIGPJB-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-058234
c1ccc(nn1)NC1CCN(CC1)Cc1nn2c(c1)CCC2	MCULE-2469990369,EMOLS-id_318085967	298.386	JARZWOUSNSQYHW-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-058235
CC1CC(c2n1ncn2)Nc1ccc(cn1)N1CCCCC1	EMOLS-id_318643149,MCULE-7228407755	298.386	RMWOWLLDEDHKBL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-058236
CC1CC(c2n1ncn2)Nc1ccc(nc1)N1CCCCC1	MCULE-2588272484,EMOLS-id_318487563	298.386	FMEPJYNHWVZNNN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-058237
CC1CC(c2n1ncn2)NCc1cccnc1N1CCCC1	MCULE-9595111757,EMOLS-id_318471896	298.386	NNDSVJZTWFKOIM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-058238
CC1CC(c2n1ncn2)NCc1ccnc(c1)N1CCCC1	EMOLS-id_318639632,MCULE-7348887557	298.386	MVYYSABWBOWSQZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-058239
Cc1cc(nc(n1)C1CCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_318653597,MCULE-8492403109	298.386	DIWBRAJIMBKEHY-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-058240
CC1CN(CCN1c1cnccn1)Cc1nn2c(c1)CCC2	EMOLS-id_319682893	298.386	QADDFCFBCOVAQU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-058241
CCNC(=NCc1ccccc1)NCc1nnc2n1CCC2	PC-id_110954702	298.386	GGQPRADTSLHEQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058242
CN(Cc1n[nH]c2c1CCC2)c1cc(C2CC(N)C2)ncn1	PC-id_91790576,ZINC22_223186869,MCULE-5161694592,EMOLS-id_55690515	298.386	FEEFZFNSOJBWQJ-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-058243
CN=C(NC(c1ccccc1)C)NCc1nnc2n1CCC2	PC-id_110950000	298.386	VPNWQPUNIMTGFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058244
CN=C(N(Cc1ccccc1)C)NCc1nnc2n1CCC2	PC-id_110951832	298.386	PPPUTJLEJWDQPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058245
CN(C(=NCc1ccccc1)NCc1nnc2n1CCC2)C	PC-id_111039291	298.386	LTULURLEAAFVTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058246
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)C	PC-id_111020289	298.386	ZQBGFFQDFWJRPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058247
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1C	PC-id_111020455	298.386	WNWOLVAKOJMSDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058248
CN=C(NCc1nnc2n1CCC2)NCc1cccc(c1)C	PC-id_111020653	298.386	GSZPINFTCJPHLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058249
CN=C(NCc1nnc2n1CCC2)NCCc1ccccc1	PC-id_111020205	298.386	QOKYOEPWCBYRSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058250
NC(=NCc1nnc2n1CCC2)Nc1cccc(c1)C(C)C	PC-id_111039263	298.386	DALJJSABVIPBBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058251
c12CN(Cc1sc(OC)c2CNC)C(=O)OC(C)(C)C	MCULE-6708088062,EMOLS-id_331064099	298.401	FTFKOXXUXRNMNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058252
CCCCOCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_116156796	298.401	GLOGPJRPITTYDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058253
CC(CCOCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288441	298.401	SHNOCSBWOOPMQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058254
CC(COCCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_105685752	298.401	OATWMUYCHDOBEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058255
CCOCC(C(C)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105805193	298.401	VAGRJBDKIFLPOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058256
CC(OCCCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_106006437	298.401	IZAIIJRUMOHIGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058257
CCOCCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_104287656	298.401	MJGMKSNCVWACBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058258
CCOCC(Nc1nc2c(s1)CCC2C(=O)OCC)C	PC-id_104288224	298.401	NINARPXGTSNTOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058259
CCOCCN(c1nc2c(s1)CCC2C(=O)OCC)C	PC-id_104289130	298.401	KOTVWCZYPHKMQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058260
CCOC(CNc1nc2c(s1)CCC2C(=O)OCC)C	PC-id_116134568	298.401	XTDITHDMMCSYKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058261
CCOC(=O)C1CCc2c1nc(s2)NCCOC(C)C	PC-id_104766918	298.401	JZKNLYMPJALOQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058262
CCOC(=O)C1CCc2c1nc(s2)NCC(OC)(C)C	PC-id_104766937	298.401	NQUPIJGKBSQHOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058263
COCCCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_104288198	298.401	KWXYRSNTJNOHGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058264
COCCC(CNc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_105901167	298.401	SVPWWVQWJGUTTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058265
COCC(CNc1nc2c(s1)CCC2C(=O)OCC)C	PC-id_104288327	298.401	MKQOCZPVTQYGGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058266
COCCCN(c1nc2c(s1)CCC2C(=O)OCC)C	PC-id_104288680	298.401	NAGHPHAONZONEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058267
COCCC(Nc1nc2c(s1)CCC2C(=O)OCC)C	PC-id_104288942	298.401	ASGWWSUDZXFYBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058268
COCC(N(c1nc2c(s1)CCC2C(=O)OCC)C)C	PC-id_104288123	298.401	CHBXDWQFGZUFOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058269
COCCN(c1nc2c(s1)CCC2C(=O)O)CC(C)C	PC-id_104288127	298.401	BMWDNEOUJLVYLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058270
COCCN(c1nc2c(s1)CCC2C(=O)OCC)CC	PC-id_104288342	298.401	RVHLKXFOLIBRPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058271
COCCN(c1nc2c(s1)CCC2C(=O)O)C(CC)C	PC-id_104288383	298.401	TVEWEUCLKZKNMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058272
COCC(Nc1nc2c(s1)CCC2C(=O)OCC)CC	PC-id_104288900	298.401	LTVFLUVWZJEWDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058273
COCC(Nc1nc2c(s1)CCC2C(=O)OCC)(C)C	PC-id_116073948	298.401	MLTPYHHQZNVIEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058274
N#Cc1ccc(cc1OC)CNCc1sc2c(c1)CCC2	PC-id_106787201	298.403	BCIJCXWMMCQLTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058275
c1(CCl)c2CNCc2sc1I	MCULE-6130596871,EMOLS-id_331066670	299.56	RXPWOJGJJZAHGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059475
O=C1CC(CN1c1ccccc1)NC1CCc2c1scc2	EMOLS-id_318445333,MCULE-9240659184	298.403	FLXIVTGBIZBTGN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-058276
O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1c1ccncc1	CoCoCo_4806728,ZINC22_29790051,PC-id_37034216	298.403	NSJYLKGBAUUDDZ-AWEZNQCLSA-N	00000010100000101000100010000000000000000000000000000000	25-01-058277
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1c1ccncc1	CoCoCo_4806729,ZINC22_29790049,PC-id_37034214	298.403	NSJYLKGBAUUDDZ-CQSZACIVSA-N	00000010100000101000100010000000000000000000000000000000	25-01-058278
O=C(c1cc2c(s1)CCC2)N(Cc1ccccn1)C1CC1	EMOLS-id_29967326,PC-id_45796553,ZINC22_40465404,CoCoCo_4090170,MCULE-4035416508	298.403	MWZFPTYRTBTFBZ-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-058279
O=C(N1CCCC1c1ccncc1)c1sc2c(c1)CCC2	EMOLS-id_29592886,MCULE-5133582968,PC-id_45876879	298.403	NSJYLKGBAUUDDZ-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-058280
s1c2CCCc2cc1CNCc1cc(c(OC)cc1)C#N	PC-id_65341145	298.403	XAKRQMMLAYGPQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058281
s1c2CCCc2cc1CNCc1ccc(OCC#N)cc1	PC-id_61209514	298.403	FIBPSRRFNBZZSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058282
s1c2CCCc2cc1CNCc1cc(OCC#N)ccc1	PC-id_61206652	298.403	NGURHHBUFNGSQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058283
s1c2c(CCC2)cc1CNCc1c(OC)ccc(c1)C#N	PC-id_81695426	298.403	FWXUYCXYBFYMEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058284
s1c2CCCc2cc1CNCc1c(OCC#N)cccc1	PC-id_61209515	298.403	VWGYVGJNYYDGQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058285
s1c2c(CCC2)cc1CNCC(O)c1ccc(cc1)C#N	PC-id_61206676	298.403	NLIJFDCKIOMCEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058286
s1c2CCCc2cc1C(=O)NN=C(c1c(cccc1)C)C	PC-id_85015408	298.403	LFXMVUQPOWJZNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058287
s1c2CCCc2cc1C(=O)NN=C(c1ccc(cc1)C)C	PC-id_85015481	298.403	SCNRKLOBHXGLFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058288
s1c2CCCc2cc1C(=O)NN=Cc1c(cc(cc1)C)C	PC-id_85015570	298.403	GLXGXMYMRYWENG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058289
s1c2CCCc2cc1C(=O)NN=Cc1c(ccc(c1)C)C	PC-id_85015571	298.403	WDCJAJQLDWKLAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058290
s1c2CCCc2cc1C(=O)N/N=C(c1c(cccc1)C)/C	PC-id_9462280	298.403	LFXMVUQPOWJZNT-PDGQHHTCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058291
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(cc1)C)/C	PC-id_9462451	298.403	SCNRKLOBHXGLFQ-PDGQHHTCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058292
s1c2CCCc2cc1C(=O)NN=Cc1ccc(CC)cc1	PC-id_85015557	298.403	LQJBQCJIGHRHEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058293
s1c2CCCc2cc1C(=O)NN=C(CC)c1ccccc1	PC-id_85015483	298.403	YHDZIUDVKGZLTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058294
s1c2CCCc2cc1C(=O)N/N=C(/CC)c1ccccc1	PC-id_9462454	298.403	YHDZIUDVKGZLTO-JXAWBTAJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058295
CC1CC(c2n1ccn2)NS(=O)(=O)N1CCCCCC1	EMOLS-id_101320502	298.404	RRIKCUJXPCDXFH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-058296
CC1CCCCN1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320469	298.404	LVDBNYZZYADWTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058297
CC1CCCCN1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319356539	298.404	OAIMQHCFOFTKTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058298
CC1(CCCNC1)CNS(=O)(=O)c1cnc2n1CCC2	MCULE-1274236919,EMOLS-id_302851741,PC-id_120876264	298.404	XHUQDNGPGRHEDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058299
CC1(CCNCC1)CNS(=O)(=O)c1cnc2n1CCC2	PC-id_121707121,MCULE-6562245684,EMOLS-id_302994290	298.404	CZLYZDOCFMDPPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058300
CC1CCN(CC1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320496	298.404	HOZFLZOVKGIXIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058301
CC1(C)CNCCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102030761	298.404	AUZXECMBNVECAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058302
CC(C1CCCCN1S(=O)(=O)c1cnc2n1CCC2)N	EMOLS-id_303012217,PC-id_120999587,MCULE-3293383271	298.404	VYUQEZSIKDFBPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058303
CC(C1CCCNC1)NS(=O)(=O)c1cnc2n1CCC2	MCULE-7978671196,EMOLS-id_302861736,PC-id_120874772	298.404	BDNUJERQLJWNDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058304
CC(C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)N	MCULE-4953170488,PC-id_121702281,EMOLS-id_302999439	298.404	CSGCYWUILITJKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058305
CC(C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)N	MCULE-5485598470,EMOLS-id_303010654,PC-id_121700868	298.404	HJIKXWUJTBDNHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058306
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1CCCC1	EMOLS-id_100375602	298.404	LLPNZBYOVYYZFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058307
CC(c1nnc2n1CCC2)NS(=O)(=O)CCC1CCC1	EMOLS-id_99498524	298.404	RGVUECDQNPFWRC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-058308
CCCC1CNCCN1S(=O)(=O)c1cnc2n1CCC2	PC-id_120876172,MCULE-1524779290,EMOLS-id_302893975	298.404	HXIWDSUYBSEHQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058309
CCCN(S(=O)(=O)c1cnc2n1CCC2)C1CNCC1	EMOLS-id_303016543,PC-id_121701100,MCULE-1525245394	298.404	HRMQGEBPROOKBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058310
CCN1CCCC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100588465	298.404	KGWPRHGXQJSEAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058311
CCN1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100182732	298.404	UTAKHEXEZPCZNA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-058312
CCN1CCN(C(C1)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98584645	298.404	KFEVRLAEYCIQJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058313
CC(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100204969	298.404	VNUUIBAJMRKSON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058314
CN1CCCC1CN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_102023377	298.404	ISXZBSQRYHNYLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058315
CN1CCC(CC1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100225903	298.404	WTAPIXFBHFMLGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058316
CN1CCC(CC1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100188399	298.404	SHERFFOMYPDOFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058317
CN1CCCC(C1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100223377	298.404	UFJWGVSBOQLLJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058318
CN1CC(C)N(CC1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221532	298.404	QNQCQEXIOFUPJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058319
CN1CCN(C(C1)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224016	298.404	UWQOKZDUJQLLEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058320
CN1CCN(C(C1C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224043	298.404	UJJYQXXCALEOQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058321
CN1[C@H](C)CN(C[C@@H]1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98021483	298.404	UBXZSIDREXRGMO-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058322
Cn1ncc2c1CN(C2)S(=O)(=O)N(C1CCCCC1)C	EMOLS-id_318014640	298.404	RLIQPYVFLBJOFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058323
CN(C1(CCC1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101181442	298.404	ICFBCWBWAUUCCX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-058324
CN(C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100227289	298.404	QNLOFUHAJARWAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058325
CN(C1CCC(N)CC1)S(=O)(=O)c1cnc2n1CCC2	PC-id_121555270,MCULE-5938370616,ZINC22_240412885	298.404	FONJYSKHQFZFKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058326
CN(CC1(CCC1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_99597501	298.404	IFASZSIAKZQYOM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-058327
CNCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302995066,MCULE-6838232056,PC-id_120998973	298.404	RUZIEXOGRATJPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058328
CN(CC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100176359	298.404	RSCHXCVQTYDNKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058329
CNCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	PC-id_120875003,EMOLS-id_302859411,MCULE-2112602911	298.404	RMTFGWHRAALSIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058330
CN(S(=O)(=O)c1cnc2n1CCC2)CCN1CCCC1	EMOLS-id_100224784	298.404	GBVPYEFISOLFJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058331
CN(S(=O)(=O)NCc1n[nH]c2c1CCC2)C1CCCC1	EMOLS-id_319567995	298.404	WYIZMBCMVPYEND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058332
CS(=O)(=O)C1CCCCC1NCc1nnc2n1CCC2	EMOLS-id_98764968	298.404	JFZRIQFFMRWNPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058333
NC1(CCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302860456,MCULE-2542271395,PC-id_120874278	298.404	JXKMJEWDLZWFIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058334
NC1CCN(CC1(C)C)S(=O)(=O)c1cnc2n1CCC2	PC-id_120876998	298.404	FRFIXKGGSSPYBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058335
NCC1CCCCC1NS(=O)(=O)c1cnc2n1CCC2	PC-id_121702573,EMOLS-id_302974590,MCULE-4089310500	298.404	UBCPKEOYJLBIAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058336
NCC1C(C)CCCN1S(=O)(=O)c1cnc2n1CCC2	PC-id_121702372	298.404	CGLLMRFYUMEABP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058337
NCC(C1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	PC-id_121705704,EMOLS-id_302976886,MCULE-4499154608	298.404	WBLVVWRPIXUWLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058338
NCCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	MCULE-3957073322,PC-id_121707942,EMOLS-id_303006292	298.404	QLSDNPFUILDHRX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058339
O=S(=O)(c1cnc2n1CCC2)NCCC1CCCNC1	MCULE-8643001104,EMOLS-id_303009895,PC-id_121701464	298.404	WMWRONXGVJMUSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058340
O=S(=O)(c1cnc2n1CCC2)NCCN1CCCCC1	EMOLS-id_100180283	298.404	LZXMTPQOIWUGQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058341
S(=O)(=O)(C1C(NC(c2n3CCCc3nn2)C)CCC1)C	PC-id_65044152	298.404	CYHQSHWZIAJGEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058342
Cc1cccc(C)c1NC(=S)N/N=C
/CCn2cccc12	PC-id_75362248,ZINC22_84225013	298.406	JOEKUYHJSGPGJY-AQTBWJFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-058343
Cn1nc(Cn2cccc2)c2c1CN(Cc1ccsc1)C2	ZINC22_96084476,PC-id_97405302	298.406	FEECZTUUMUYIEZ-UHFFFAOYSA-N	00000010110100000001000010000000000000000000000000000000	25-01-058344
N#Cc1c(C)cc(nc1NCCc1sc2c(n1)CCC2)C	MCULE-3939240303,EMOLS-id_318513520	298.406	BRJKEZGHHCTSAX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058345
S=C(Nc1c(C)cccc1C)NN=C1CCn2c1ccc2	MCULE-6894985494,EMOLS-id_44522120,PC-id_71899698	298.406	JOEKUYHJSGPGJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058346
s1c2CCCc2nc1NC(=O)CSc1scnn1	PC-id_47276619	298.408	CVPIXDMUFYPUEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058347
CC1CCc2c1c(CO)nn2Cc1ccc(cc1)C(C)(C)C	EMOLS-id_331007221,MCULE-3839015716	298.423	OIDPFKBGGWEFLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058348
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(CO)c12	MCULE-3130196502,EMOLS-id_330990000	298.423	FOYDQVODIDYLCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058349
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1CO	EMOLS-id_330992313,MCULE-5493217129	298.423	MVTKXRZYPUSRIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058350
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1CO	MCULE-3467557690,EMOLS-id_330992057	298.423	PESCLQRIXWETKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058351
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330989756,MCULE-5159254989	298.423	QXLJZRODUGIMTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058352
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330992825,MCULE-6745965856	298.423	LBCZVEKOMAWDKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058353
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1CO	MCULE-1859348706,EMOLS-id_330992569	298.423	YYGDUCLNDOXZIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058354
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2CO)cc1	EMOLS-id_330989744,MCULE-8853787203	298.423	KBLCIYMQLZVJTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058355
CC(C)Cc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1	EMOLS-id_331006965,MCULE-9765860894	298.423	KCUSTCOCELBRSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058356
c1(NC(=S)NCC)sc2c(CCC2)c1C(=O)OCC	PC-id_2861794,MCULE-9495585432,STOCK1S-28383,CK1602331,BAS-17324784,ZINC22_4813836,EMOLS-id_936534,CoCoCo_430710	298.424	YHDWJASHHIABTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058357
Cc1sc2c(n1)CN(C2)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_318791627	298.424	QMBIHRFRMIMBOV-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-058358
Cc1sc2c(n1)CN(C2)S(=O)(=O)C1CC2C1CCC2	EMOLS-id_319660031	298.424	OGFJQALKDRIHGB-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-058359
CC(C)N(Cc1cc2c(s1)CCC2)S(=O)(=O)CC#N	ZINC22_95439627,MCULE-7957870509,EMOLS-id_48287194,PC-id_75432977	298.424	RTPDQHVRCHNEHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058360
CCN(CC)C(=S)Nc1sc2c(c1C(=O)O)CCC2	BindingDB_PC-id_10756523,CHEMBL561495,PC-id_10756523	298.424	MSQWFYOAVTXOLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058361
CCOC(=O)C1CCc2c1nc(s2)NC1CSCC1	PC-id_113771010	298.424	FVQQLDYKHFKJET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058362
CSC1(CCC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105830064	298.424	VBMYKIHJRQURFG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-058363
CSC1CCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_105865965	298.424	DJSQBDIGYACQHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058364
CSC1CCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_114124356	298.424	UCZIOGBGFISTRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058365
O=C(N(C1CCS(=N)(=O)C1)C)c1sc2c(c1)CCC2	EMOLS-id_319630917	298.424	UMYWDDUDJFVACC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058366
OC(=O)C1CCc2c1nc(s2)NCC1CCCCS1	PC-id_104289110	298.424	DMYLCMKXWSVWTF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058367
OC(=O)C1CCc2c1nc(s2)NCC1(C)CCCS1	PC-id_113395819	298.424	TVWIGOVJROQFTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058368
OC(=O)C1CCc2c1nc(s2)NCC1CCSCC1	PC-id_116211779	298.424	XSMCUCDRYLZEEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058369
s1c2c(CCC2)c(c1NC(=S)NC(C)C)C(=O)OC	PC-id_7940655	298.424	PVMJXCWVWMMKHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058370
s1c2c(CCC2)c(c1NC(=S)NCCC)C(=O)OC	PC-id_8105646	298.424	JTONABJQZDPYFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058371
c12CN(Cc1nn(CCC)c2CN(C)C)Cc1ccccc1	MCULE-4038644840,EMOLS-id_324352359	298.426	SREVSWCFSSBUDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058372
Cc1ccc(c(c1)C)C(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_318402260,MCULE-5847723377	298.426	OFAJBBXKWSPYBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058373
CCc1cc2c(s1)C(=C(C2=C(C#N)C#N)C=C(C)C)S	PC-id_89820186,SCHEMBL15278452	298.426	OGYIFKWMOHPHGU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-058374
CC(c1ccc(cc1)C(C)(C)C)NCc1nnc2n1CCC2	MCULE-2618489427,EMOLS-id_318488411	298.426	JAKMDTCBTCQVPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058375
CC(c1nn2c(c1)CCC2)NCc1cnccc1C(C)(C)C	EMOLS-id_318316373,MCULE-2027277525	298.426	ZBGLMWRRQHDYCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058376
CC(c1nnc2n1CCC2)NCc1ccc(cc1)C(C)(C)C	EMOLS-id_318035805,MCULE-8128652107	298.426	QLVHHOFOPUFRDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058377
CC(C(c1ccccc1)CNC(c1nnc2n1CCC2)C)C	EMOLS-id_318040659	298.426	BCURWLVVZVBVRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058378
O=C(c1sc2c(c1)CCC2)Cc1ccc(cc1)C(C)(C)C	PC-id_114967915	298.442	YUIXZCDGCCIZRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058379
O=C(c1sc(c2c1C[C@H]([C@H]2C)C)C)CCc1ccccc1	PC-id_143171971	298.442	QTWDJRJDJZUFAM-CHWSQXEVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058380
s1c2c(CCC2)cc1C(=O)c1c(c(c(c(c1C)C)C)C)C	PC-id_43462561	298.442	YYAFZHMRFAXWHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058381
s1c2CCCc2cc1C(=O)c1ccc(C(CC)(C)C)cc1	PC-id_66245564	298.442	ZXVVTWDNINRKNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058382
COCCNC(c1sc2c(n1)CCC2)CC(OC)(C)C	PC-id_106676119	298.444	OGEKRDJSTLSCFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058383
OC(CNC(c1sc2c(n1)CCC2)C)COCC(C)C	PC-id_109908740	298.444	WLVCHGYKWWYZSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058384
s1c(nc2c1CCC2)C(NCCOC)(C(C)C)COC	PC-id_80411253	298.444	NNGLHOLUBRETIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058385
CC1(CC(C1)NCc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318111805	298.446	FZSUTPGXNGMYQA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058386
NNC(c1ccccc1C1CCC1)c1sc2c(c1)CCC2	PC-id_105341363	298.446	NYMAXFHJWKLVEN-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-058387
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)C1CCC1	PC-id_105338151	298.446	SZUNWVAQAQWTNL-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-058388
NNC(c1sc2c(c1)CCC2)c1cccc(c1)C1CCC1	PC-id_105341984	298.446	TZBJSFVOOSPLOB-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-058389
s1c2CCCc2nc1C(NCC)c1cc(C2CC2)ccc1	PC-id_79972215	298.446	QNTKGEQFTCQZHV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058390
s1c2CCCc2nc1C(NCC)c1ccc(C2CC2)cc1	PC-id_79972579	298.446	PDWQDHAAUUXSNR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058391
s1c(nc2c1CCC2)C(NC1CC1)c1c(cc(cc1)C)C	PC-id_61333513	298.446	ZTLMGBDPSQEWKP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058392
s1c(nc2c1CCC2)C(NC1CC1)c1cc(c(cc1)C)C	PC-id_61333709	298.446	WQLISMRJIZBGCR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058393
s1c(nc2c1CCC2)C(NC1CC1)c1ccc(cc1)CC	PC-id_61336053	298.446	JFRVTPAOBKCYGU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058394
s1c(nc2c1CCC2)C(NC1CC1)c1c(ccc(c1)C)C	PC-id_61552290	298.446	SMFXFCKSGPNWGJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058395
s1c(nc2c1CCC2)C(NC1CC1)c1c(c(ccc1)C)C	PC-id_61634948	298.446	AQAIDGLSXNXJGG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058396
s1c(nc2c1CCC2)C(NC1CC1)c1cc(cc(c1)C)C	PC-id_61650908	298.446	SJNSORDQPSSYFA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058397
s1c(nc2c1CCC2)C(NC1CC1)c1c(cccc1C)C	PC-id_81923802	298.446	RDFXQMYRCGWIOF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058398
s1c(nc2c1CCC2)C(NC1CC1)c1c(CC)cccc1	PC-id_62416065	298.446	SNHNXHPOVBIXQB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058399
s1c(nc2c1CCC2)C(NC1CC1)C(c1ccccc1)C	PC-id_61334103	298.446	BSFNICXQBWDZFD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058400
s1c(nc2c1CCC2)C(NC1CC1)CCc1ccccc1	PC-id_62879750	298.446	UVIKZOQGDSDGEA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058401
s1c(nc2c1CCC2)C(NCC)c1c(C2CC2)cccc1	PC-id_79970889	298.446	WPBHWMWYFVQKJZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058402
SCC(N1Cc2c(C1)cn(n2)CC(O)(C)C)CC(N)C	PC-id_144237685	298.447	XHKZZXIEYUEZHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058403
CCCCC(COC(=O)c1sc2c(c1)CSC2)CC	PC-id_102582501	298.464	KYAYVUVTTTXTEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058404
CC(c1sc2c(n1)CCC2)NCC1(O)CCSCC1	PC-id_109908775	298.467	GRVRCKNSYYBECY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058405
CCN(CCCNC(=O)c1sc2c(c1)CSC2)CC	ChEMBL-DNDi_CHEMBLC574-0045,PC-id_20864694	298.467	VQWUJNUCZQMETR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058406
COCCNC(c1sc2c(n1)CCC2)C1CCSC1	PC-id_107133312	298.467	ROISVYQGNQJRPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058407
OCC1(CCSCC1)N(Cc1sc2c(n1)CCC2)C	EMOLS-id_48758100,PC-id_75483227,MCULE-3308894580	298.467	OJFKVQVDXJPSEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058408
S1Cc2c(nn(CCCO[Si](C(C)(C)C)(C)C)c2)C1	PC-id_10566022	298.52	HLFBIURETLBXIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058409
S1Cc2n(ncc2C1)CCCO[Si](C(C)(C)C)(C)C	PC-id_10685503	298.52	ZDJKVVJROUTOHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058410
CCC(c1sc(c2c1SC(=C)S2)C(C)(C)C)(C)C	PC-id_139297639,SCHEMBL21140837	298.53	QAGOHKRURVDULD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058411
c1(CCl)c2CCCc2sc1I	EMOLS-id_331061288,MCULE-4529575186	298.572	UOSHPIBAWJOWFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058412
Clc1c(C(=O)Nc2onc3c2CSC3)ccc(F)c1	PC-id_49719099	298.721	QTZVACWHEGFFFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058413
Clc1c(C(=O)Nc2onc3c2CSC3)c(F)ccc1	PC-id_49719053	298.721	CAIHDMYELBLDLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058414
Clc1c(C(=O)Nc2n3CCSc3nn2)c(F)ccc1	PC-id_44007635	298.724	GLRNPGDTLAVYBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058415
Clc1cc(F)c(cc1C(=O)c1sc2c(c1)CCC2)F	PC-id_107475656	298.735	BUXWBRANFSVGRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058416
Clc1sc(nn1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_80624852	298.752	PZHJWIRZJRBBLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058417
Clc1sc(nn1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_80625204	298.752	KJXBREQRFACMJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058418
Clc1cnc(c(c1)F)NCCc1cn2c(n1)SCC2	MCULE-8642575846,EMOLS-id_318155246	298.767	FUFSMFQDUGFWGV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058419
CCCN1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960042	298.769	ZCQHILHUTMATTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058420
ClC(c1sc2c(CCC2)c1)c1cc(c(F)cc1F)C	PC-id_79731223	298.779	PYZGFIPYPZAUTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058421
ClC(c1sc2c(CCC2)c1)c1c(F)cc(c(F)c1)C	PC-id_80118599	298.779	HHIZCOOWFXSYFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058422
ClC(c1sc2c(CCC2)c1)Cc1cc(F)c(F)cc1	PC-id_80384772	298.779	JEUBLCUEYFTZDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058423
ClC(c1sc2c(CCC2)c1)Cc1c(F)cccc1F	PC-id_80384420	298.779	GMVZFJFNTCMZEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058424
ClC(c1sc2c(CCC2)c1)Cc1c(F)cc(F)cc1	PC-id_80390112	298.779	QFFXEZKLLWWRJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058425
ClC(c1sc2c(CCC2)c1)Cc1c(F)c(F)ccc1	PC-id_80126877	298.779	PBOBXTCCIJVDSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058426
C1(OC(c2c1sc(c2C#N)NC(=O)CCl)(C)C)(C)C	EMOLS-id_6829774,SPECS-id_AN-153/I288027,MCULE-2621616807,TIMTEC428419,PC-id_5303086	298.788	RLSWPWGSLVFGDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058427
Clc1sc2c(C(NC3CCC(=O)N(C3=O)C)CC2)c1	PC-id_81252082	298.788	CMQRUZZNWIADHO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058428
Clc1ccc(s1)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318744268	298.812	WFWDCDGMXJYFKR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-058429
Clc1csc(c1)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318610992	298.812	AGZPHGWQHBJUSW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-058430
Clc1scc(c1)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318502352	298.812	WGVAWSSKSQEJKB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-058431
ClCc1csc(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_43322623,EMOLS-id_314096899	298.812	BHIFSXZDXJEVDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058432
O=C(c1ccsc1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318595498	298.812	XXFKHSOBJOUPOO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-058433
O=C(c1sccc1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318437747	298.812	AIUUPOCHQCFSGD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-058434
CC(C(=O)N1CCCC1)NC1CCc2c1cc(s2)Cl	PC-id_112551240	298.831	DFSBYMIIADNFJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058435
Clc1sc2c(C(NC3CCC(CC3)C(=O)N)CC2)c1	PC-id_81252690	298.831	IVLFCNDMGNOPDC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058436
Clc1sc2c(C(NC3CCN(CC3)C(=O)C)CC2)c1	PC-id_81251728	298.831	CAXYRRSRTPILAT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058437
Clc1sc2c(C(NCCCC(=O)NC3CC3)CC2)c1	PC-id_81251978	298.831	PZPKYXMRSQZKRK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-058438
Clc1sc2c(C(NCCC(=O)N3CCCC3)CC2)c1	PC-id_81252986	298.831	KKOVRXHPNJGORQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058439
Clc1sc2c(C(NC(CN3CCCC3=O)C)CC2)c1	PC-id_81251310	298.831	CFBCTUIBXWYLGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058440
ClCCN1CCN(CC1)C(=O)c1sc2c(CCC2)c1	PC-id_63395493	298.831	JOBKOKAPBVRJQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058441
O=C(N1CCCCC1)CNC1CCc2c1cc(s2)Cl	PC-id_104383462	298.831	SNQIQCIFMQAFJE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058442
Cc1cnc(s1)C(NC1CCc2c1cc(s2)Cl)C	PC-id_113387160	298.855	CVCOQTXTFBEZND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058443
CCc1cnc(s1)CNC1CCc2c1cc(s2)Cl	PC-id_114127188	298.855	QEVVFINOZZAVMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058444
Clc1sc2c(c1)C(CC2)NCCc1csc(n1)C	PC-id_103932214	298.855	KGKOOGDYFXGOHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058445
Clc1sc2c(c1)C(CC2)NCC(c1nccs1)C	PC-id_104585163	298.855	QZGTWYUXQNURFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058446
Clc1sc2c(C(NC(C)c3scc(n3)C)CC2)c1	PC-id_81251431	298.855	WZVKYXQXSUMUER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058447
Clc1sc2c(C(NCCc3scc(n3)C)CC2)c1	PC-id_81252807	298.855	FMLURWIMXYCXCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058448
Clc1sc2c(C(NC(CC)c3sccn3)CC2)c1	PC-id_81251323	298.855	HMKIVSUVLQDHLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058449
NNC(c1sc2c(c1)CCC2)Cc1ccc(s1)Cl	PC-id_105295935	298.855	KHZBLEACUWZJSR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-058450
CC(C1CCSCC1)n1nc2CCC(C)c2c1CCl	MCULE-6059583538,EMOLS-id_331007165	298.875	YXIGYHCOHFNILI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058451
Clc1sc2c(C(NC3CCN(CC3)C(C)C)CC2)c1	PC-id_81252889	298.875	HQSULIONXLHKEH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058452
Clc1sc2c(C(NC3CCN(CC3)CCC)CC2)c1	PC-id_81252989	298.875	YSFCTZGCNVXLAS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058453
Clc1sc2c(C(NCC3CCN(CC3)CC)CC2)c1	PC-id_81251966	298.875	RYGULSQDYVFSGI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058454
Clc1sc2c(C(NCC3CN(CC3)C(C)C)CC2)c1	PC-id_81252908	298.875	PHZUXUQMAJTHDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058455
Clc1sc2c(C(NCC3(N(C)C)CCCC3)CC2)c1	PC-id_83116774	298.875	QQLBYQZBHVDTMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058456
Clc1sc2c(C(NCC(CN3CCCC3)C)CC2)c1	PC-id_81252503	298.875	MNYDRNCXSNNSQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058457
Clc1sc2c(C(NCCCN3CCCCC3)CC2)c1	PC-id_81251591	298.875	GAQFLRZSLWXUFN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058458
Clc1sc2c(C(NCC(N3CCCCC3)C)CC2)c1	PC-id_81251311	298.875	WKSPOBQZGRIAOO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058459
Clc1sc2c(C(NCCN3CCC(CC3)C)CC2)c1	PC-id_81251852	298.875	IKMILWXECNRYEU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058460
Clc1sc2c(C(NC(CN3CCCCC3)C)CC2)c1	PC-id_81252793	298.875	LXVPIMLNECSOSK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058461
Clc1sc2c(C(NCCN3CCCCCC3)CC2)c1	PC-id_81251735	298.875	FGOJSIVGUDNRHG-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-058462
Clc1sc2c(C(NCCN(C3CCCC3)C)CC2)c1	PC-id_81251860	298.875	IGMBXCKEKYDLNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058463
CN1CCC(CC1)(C)CNC1CCc2c1cc(s2)Cl	PC-id_104006307	298.875	KYPDBPMHUAOGHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058464
CN1CCC(CC1)CCNC1CCc2c1cc(s2)Cl	PC-id_114515271	298.875	NLNSZPPJBUPFLU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-058465
c12cc(nn1CCN2CC(F)F)I	EMOLS-id_320441623,MCULE-1015233257	299.06	OYWSHHKTTGFFLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058466
c12c(I)cnn1CCN2CC(F)F	MCULE-9025931584,EMOLS-id_317865726	299.06	UUELMQFIDBLQNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058467
FC(F)Cn1nc2CNCc2c1I	MCULE-6351401395,EMOLS-id_324343139	299.06	AJASDKLBNYXUNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058468
C[N+]1=C2N(C(CS2)CC#N)C(=C1[O-])C(=O)C3=CC=CC=C3	PC-id_164805936	299.073	MPQHJTZGKHPSDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058469
CC1=C(C=NN1CCF)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164931896	299.085	KIPDYAUZWYMEGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058470
c12C(CCc1nn(CCBr)c2O)C(F)(F)F	EMOLS-id_320436498,MCULE-9247798714	299.088	IAQGEQNWNCWMCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058471
c12CC(Cc1nn(CCBr)c2O)C(F)(F)F	MCULE-3443110108,EMOLS-id_320435730	299.088	DHXJLSWFORKLOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058472
CC1=C(C(=NN1CC(F)F)C)SN2C=C3CNCC3=N2	PC-id_164872049	299.102	VJMXEKRWZXKQFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058473
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C#C)C(=O)[O-]	PC-id_163998701	299.104	UGZYYQCICITJEP-UHFFFAOYSA-M	00100010100000000000000010000000000000000000000000000000	25-01-058474
IC1=NS(=O)(=O)c2c1ccs2	PC-id_70333856,SCHEMBL8285739	299.109	LDVUEBHOXLVVEX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-058475
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3=CC=CC=C3)C	PC-id_153866736	299.115	SAVJRMNQETYQIX-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-058476
CC(C1=CC=CC=C1)(C2=NNC3=C2CN(C3)C(=O)N)C(=O)N	PC-id_153863841	299.138	QVDVGZBXJRIJQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058477
C1CCC(CC1)[C@H](C(F)F)NC(=O)C2=NN3CCOC3=C2	ZINC22_623006259,PC-id_164632353	299.145	BOJDGSAXMUIGDK-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058478
CCN1C2=C(CCC2)C(=N1)C(=O)N3CCC(C(C3)(F)F)O	PC-id_153600145	299.145	OBKDIQCSEZVYGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058479
C1Cc2c(n(c(=O)n2C1)Cc1cc(cc(c1)Cl)Cl)O	PC-id_91310484	299.153	WRSUVEIFAYMPQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058480
CCc1nn2c(c1Oc1cc(Cl)cc(c1)Cl)OCC2	PC-id_9900901,SCHEMBL507954	299.153	UNRYTWFJBRWKBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058481
CC(C)(CC1=CC=C(C=C1)O)C(=O)N[C@H]2CCN3C2=CN=C3	PC-id_164636109	299.163	KIGBGZLDHJQDRV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058482
C/C=CC=C/C(=C)[C@@H]1C[C@@H](c2nc(nn12)C(=O)C1CC1)OC	PC-id_163548953	299.163	FHKGRGXFCGDVMN-BPUOTYLNSA-N	00100010100000000001000010000000000000000000000000000000	25-01-058483
BrC1CC1(C)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316600713	299.167	PJWRKXOHJRNOEG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-058484
CC1CCc2c1c(Cl)nn2Cc1cccc(Cl)c1F	EMOLS-id_330974454,MCULE-6748132888	299.171	ULOPFKBMEGAELY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058485
CC1CCc2c1c(Cl)nn2Cc1cccc(F)c1Cl	EMOLS-id_330976501,MCULE-5377681919	299.171	IHOVNMLJOAASFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058486
CC1CCc2c1c(Cl)nn2Cc1ccc(Cl)cc1F	EMOLS-id_330974966,MCULE-5633524038	299.171	OXPLHJPUEMQTBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058487
CC1CCc2c1c(Cl)nn2Cc1ccc(Cl)c(F)c1	MCULE-1506563836,EMOLS-id_330976502	299.171	DOEUVHUTDSBTPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058488
CC1CCc2c1c(Cl)nn2Cc1ccc(F)cc1Cl	MCULE-2953625031,EMOLS-id_330975989	299.171	ZAGFVYJAICMODL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058489
CC1CCc2c1c(Cl)nn2Cc1ccc(F)c(Cl)c1	MCULE-6953512529,EMOLS-id_330974198	299.171	NJDZOAQZXYDXKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058490
CC1CCc2c1c(Cl)nn2Cc1cc(F)ccc1Cl	MCULE-2032559469,EMOLS-id_330976245	299.171	ZGTGYMYULNNXFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058491
CC1CCc2c1c(Cl)nn2Cc1cc(F)cc(Cl)c1	EMOLS-id_330974710,MCULE-3414252756	299.171	VALNTRHPGZMKHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058492
CC1CCc2c1c(Cl)nn2Cc1c(F)cccc1Cl	EMOLS-id_330975733,MCULE-4113284367	299.171	MPZRUKLFLRGGEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058493
CC1CCc2nn(Cc3cccc(Cl)c3F)c(Cl)c12	EMOLS-id_330959538,MCULE-4598351615	299.171	VUVRCIGTMKJJGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058494
CC1CCc2nn(Cc3cccc(F)c3Cl)c(Cl)c12	MCULE-2830871995,EMOLS-id_330957490	299.171	NRCOYOGXXVORAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058495
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(Cl)c12	MCULE-9504969811,EMOLS-id_330960050	299.171	CKKJOSOAVZDOMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058496
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(Cl)c12	MCULE-2487523853,EMOLS-id_330957491	299.171	NNPDBHKXVFDGOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058497
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(Cl)c12	EMOLS-id_330956978,MCULE-6706124626	299.171	NGSLXBSULMVCEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058498
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(Cl)c12	EMOLS-id_330959282,MCULE-2653202788	299.171	NCYHLKZOTOCFBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058499
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(Cl)c12	EMOLS-id_330957234,MCULE-5167406935	299.171	CGODGMPMPWZZCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058500
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(Cl)c12	EMOLS-id_330959794,MCULE-4462088313	299.171	SDPYAVUGFQVCLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058501
CC1CCc2nn(Cc3c(F)cccc3Cl)c(Cl)c12	MCULE-8799953368,EMOLS-id_330960817	299.171	ZLNRQVNLQMFTDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058502
Brc1ccoc1C(c1sc2c(c1)CCC2)O	PC-id_115800501	299.184	PBYSNOQWWBQAND-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-058503
Brc1sc2c(c1)C(CC2)NCc1cocn1	EMOLS-id_317932348	299.187	HUNBLNKWYDVCPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058504
Brc1sc2c(c1)C(CC2)NCc1nocc1	EMOLS-id_317921071	299.187	PXHRPNXLGUYRCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058505
BrCCC(=O)Nc1sc2CCCc2c1C#N	PC-id_115571594,EMOLS-id_315027438,MCULE-3741053737	299.187	YPZZMLGQOJYCBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058506
Br[C@@H](C(=O)Nc1sc2CCCc2c1C#N)C	CoCoCo_6618648,PC-id_28595567	299.187	SWARHMMQGBOQHI-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058507
Br[C@H](C(=O)Nc1sc2CCCc2c1C#N)C	PC-id_28595569,CoCoCo_6618649	299.187	SWARHMMQGBOQHI-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-058508
c1(NC(=O)C(C)Br)sc2c(CCC2)c1C#N	EMOLS-id_17068302,MCULE-2921116280,PC-id_24215942	299.187	SWARHMMQGBOQHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058509
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CC3CN4C=NC=[N+]4C3)C)C(=C)C	PC-id_152969435	299.187	USEBUIVHAJNCKM-IUIKQTSFSA-N	00001011100000000001001010000000000000000000000000000000	25-01-058510
c12CN(Cc1nn(CC(F)F)c2C(=O)O)CC(F)(F)F	MCULE-2263284480,EMOLS-id_324344423	299.197	VJISPFAWPOSZOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058511
CC(C1CCOC1)n1nc2CCC(C)c2c1Br	MCULE-7491157013,EMOLS-id_331020193	299.207	YXNNYYIYHFLYEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058512
Clc1cc(C(O)c2sc3c(CCC3)c2)ccc1Cl	PC-id_61081207	299.215	FRFVPCLTVWQKBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058513
Clc1c(C(O)c2sc3c(CCC3)c2)ccc(Cl)c1	PC-id_61270646	299.215	KSNZFXMWJVVYIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058514
Clc1c(C(O)c2sc3c(CCC3)c2)cc(Cl)cc1	PC-id_61080470	299.215	NOVLROQEMMNPDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058515
OC(c1cccc(c1Cl)Cl)c1sc2c(c1)CCC2	PC-id_113660470	299.215	LIISQQPULHQKSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058516
C1Cn2c(c[nH]c2=S)C1Cc1cc(cc(c1)Cl)Cl	SCHEMBL20006156,PC-id_134377351	299.219	TUDCYAGGZXSCIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058517
Cc1cnc(c(c1)NC1CCc2c1cc(s2)Cl)Cl	PC-id_108188284	299.219	JNDOBHWBWJCZCB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058518
Clc1cc2c(s1)CCC2Nc1cnc(c(c1)C)Cl	PC-id_114049264	299.219	DXOFERYSNXDNIV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058519
Clc1ccc(c(c1)C(c1sc2c(n1)CCC2)N)Cl	PC-id_114076237	299.219	LNZHTNNOACEDKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058520
Clc1ccc(c(n1)C)NC1CCc2c1cc(s2)Cl	PC-id_108178560	299.219	WYZFXKTTWBPBIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058521
Clc1cc(C(N)c2sc3CCCc3n2)ccc1Cl	PC-id_61333069	299.219	WQOFRKSTMOYKCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058522
Clc1cc(C(N)c2sc3CCCc3n2)cc(Cl)c1	PC-id_61330701	299.219	YNBCDORTOCGBFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058523
Clc1c(C(N)c2sc3CCCc3n2)cccc1Cl	PC-id_61330099	299.219	JNGGABRJWJXADF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058524
Clc1c(C(N)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_61331686	299.219	NOEXVEWIRMKXPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058525
Clc1c(C(N)c2sc3CCCc3n2)c(Cl)ccc1	PC-id_61330696	299.219	WIBJVHBNJAYQNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058526
Clc1c(NCc2sc3CCCc3c2)ncc(Cl)c1	EMOLS-id_315116723,PC-id_61208573	299.219	FBZCTMMVRMQFIA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058527
Clc1sc2CCC(Nc3c(ccnc3Cl)C)c2c1	PC-id_81252607	299.219	QSBSFGIVUUPTQD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058528
FC(Oc1ccc(cc1)OCc1nnc2n1CCC2)(F)F	EMOLS-id_319211306	299.248	QBNBQJXIXCIBKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058529
O=C(c1cnc2n1CCC2)NCc1ccc(o1)C(F)(F)F	EMOLS-id_318457525	299.248	SGFVAQJVEVTCAS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-058530
O=C(c1cnn2c1CCC2)NCc1ccc(o1)C(F)(F)F	EMOLS-id_318805260	299.248	UWGBUCVZWNTAMQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-058531
O=C(c1nn2c(c1)CCC2)NCc1ccc(o1)C(F)(F)F	EMOLS-id_318574013	299.248	WFNCKAAMRYDHDW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-058532
O=C(c1occ2c1CCC2)Nc1ccn(n1)CC(F)(F)F	EMOLS-id_318745969	299.248	IWZQMWIPPKMEHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058533
O=C(c1occ2c1CCC2)Nc1cnn(c1)CC(F)(F)F	EMOLS-id_318464174	299.248	CIVLJHZQUZCUPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058534
O=C(c1occ2c1CCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319308398	299.248	ACEBNOTWQHIRAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058535
BrC(c1sc2c(CCC2)c1)c1sccc1	PC-id_61098511	299.25	FNPVJDHGOROWNS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-058536
CC1CCc2c1c(CBr)nn2CCC(C)(C)C	EMOLS-id_331030797,MCULE-9091937204	299.25	FHHQUWPWADRYOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058537
CC1CCc2nn(CCC(C)(C)C)c(CBr)c12	EMOLS-id_331015100,MCULE-6545331432	299.25	GAIYKKDZNDXMNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058538
CCC(CC)Cn1nc2CCC(C)c2c1CBr	MCULE-3138468954,EMOLS-id_331016124	299.25	YDEWQEOJCHTSFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058539
CCC(CC)Cn1nc(CBr)c2C(C)CCc12	EMOLS-id_331031821,MCULE-3275949555	299.25	GLHTVVHCFXRWJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058540
CC(n1nc2CCC(C)c2c1CBr)C(C)(C)C	EMOLS-id_331017404,MCULE-6288822208	299.25	LOPDRHAVCVENPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058541
CC(n1nc(CBr)c2C(C)CCc12)C(C)(C)C	EMOLS-id_331033357,MCULE-1717100342	299.25	DHHLOUZSMQSSSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058542
O=C(c1ccn(n1)CC(F)(F)F)NC1CCn2c1cnc2	MCULE-9493974667,EMOLS-id_316300968	299.252	NKFRYYMPWSYBOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058543
O=C(c1cn2c(n1)CCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319784056	299.252	AZLIACRJSKJHQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058544
O=C(c1cnc2n1CCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319310486	299.252	JPJCHALOPOKDAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058545
O=C(c1cnn2c1CCC2)Nc1cnn(c1C(F)(F)F)C	EMOLS-id_319683371	299.252	BGPXSPVXFIATKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058546
O=C(c1cnn2c1CCC2)NCc1[nH]cc(n1)C(F)(F)F	EMOLS-id_318824956	299.252	DTPFLOYQECDAEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058547
O=C(c1cnn2c1CCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319868674	299.252	JRXBMZQCWMAUBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058548
O=C(c1nc2n(c1)CCC2)NCc1[nH]cc(n1)C(F)(F)F	MCULE-3381530424,EMOLS-id_320096313	299.252	JALYFHDEAWEZBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058549
O=C(c1ncn(c1)CC(F)(F)F)NC1CCn2c1cnc2	EMOLS-id_319846763	299.252	OCRZSBCQPFAXSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058550
O=C(c1n(C)nc2c1CCC2)Nc1c[nH]nc1C(F)(F)F	EMOLS-id_319711306	299.252	HDXKCWKUFXCEKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058551
O=C(c1nc[nH]c1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319632543	299.252	BDVPAGIEAYIXFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058552
O=C(c1[nH]nc(c1C)C(F)(F)F)NC1CCn2c1cnc2	MCULE-4918580830,EMOLS-id_316300712	299.252	PTXBTYPYLLYKIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058553
O=C(c1[nH]nc(c1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318823379	299.252	GSLOPFDKRPQGOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058554
O=C(c1[nH]ncc1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319638909	299.252	UPOXNLSKIFJWAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058555
O=C(c1n[nH]c2c1CCC2)Nc1cnn(c1C(F)(F)F)C	EMOLS-id_320211024,MCULE-6402552214	299.252	JHAJKKRUZHIYCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058556
O=C(c1n[nH]c2c1CCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319809020	299.252	ZESYYTSHBAGYRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058557
O=C(c1n[nH]c(c1C(F)(F)F)C)N1Cc2c(C1)cnn2C	EMOLS-id_278848729	299.252	AZZRVILCAHWLJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058558
O=C(c1n[nH]c(c1C(F)(F)F)C)NC1CCn2c1ncc2	EMOLS-id_319024323	299.252	URSLWXFSALVGRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058559
O=C(Cc1ccn(CC(F)(F)F)n1)N1CCn2nccc12	MCULE-3123432331,EMOLS-id_316973555,ZINC22_905318034	299.252	GFNDKRMYYDGKGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058560
O=C(N1Cc2c(C1)cnn2C)c1ncn(c1)CC(F)(F)F	MCULE-2978337412,EMOLS-id_320169765	299.252	OHCJSVXBICYNQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058561
O=C(N1CCn2c1ncc2)Cc1ccn(n1)CC(F)(F)F	MCULE-4530003130,EMOLS-id_320143959	299.252	KZSQSVQXJDPUIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058562
O=C(N1CCn2c1ncc2)Cn1cc(c(n1)C(F)(F)F)C	MCULE-8984104313,EMOLS-id_257972944	299.252	KNZMTGHUGNVYJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058563
O=C(C(C(F)(F)F)(F)F)NCc1sc2c(c1)CCC2	PC-id_108095112	299.26	KEHCWKQGDBRVHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058564
FC(F)(F)c1oc2c(CCC2)c1C(N)c1ccc(F)cc1	PC-id_83610570	299.263	VKFKICKOSQUWEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058565
s1c2CNCc2nc1NC(=O)c1c(F)c(F)c(F)cc1	PC-id_82194119	299.272	MVMDSVHTKWJPPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058566
s1c2CN(Cc2nc1N)C(=O)c1c(F)c(F)c(F)cc1	PC-id_82194230	299.272	RIKGFQBETVNHGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058567
O=C1C(Cc2ccccc2)Cc2c1cc(n2C(=O)O)C(=O)O	PC-id_141214816	299.278	OMCDSMSIKJEJAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058568
OC(=O)C1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)O	PC-id_19914010,SCHEMBL9650636	299.278	GBGSTRCSSBLPGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058569
OC(=O)C1CCn2c1c(cc2C(=O)c1ccccc1)C(=O)O	PC-id_20430879,SCHEMBL10946521	299.278	AFWKJFBVNGVZIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058570
CCOC(=O)c1[nH]nc2c1C(=O)N(C2=O)Cc1ccccc1	SCHEMBL19986240,PC-id_3242734,ChEMBL-DNDi_CHEMBL1366386,CHEMBL1366386	299.281	APZKGENIDXMVMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058571
o1nc2CCCc2c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1	PC-id_16942317	299.281	QBCKMAREJOZVCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058572
o1nc2CCCc2c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1	PC-id_16942297	299.281	PNXDIIMMMMALAQ-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058573
o1nc2CCCc2c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1	PC-id_73340128	299.281	PNXDIIMMMMALAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058574
c12c(C(=O)NN=Cc3ccccc3N(=O)=O)n[nH]c1CCC2	PC-id_4302517,MCULE-4178368155	299.285	PVAGPCIYFIHUEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058575
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(=O)C	PC-id_135635940,EMOLS-id_17097467,STOCK6S-44956,MCULE-4410936253	299.285	HSNRZHWSRITLNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058576
c1(C(=O)NN=Cc2cccc(c2)N(=O)=O)c2CCCc2[nH]n1	MCULE-4970246916,PC-id_5396692	299.285	KUCUEDMYVLLALN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058577
c1(C(=O)NN=Cc2ccc(cc2)N(=O)=O)c2CCCc2[nH]n1	PC-id_5409267,MCULE-2019193045	299.285	ZFCDLCSYMWDRQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058578
CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	ZINC22_13687415,PC-id_135924887	299.285	HSNRZHWSRITLNK-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058579
CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	ZINC22_13687420,PC-id_135924888	299.285	HSNRZHWSRITLNK-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-058580
O=C(c1cnn2c1CCC2)NCc1noc(n1)c1ccco1	EMOLS-id_320173145,MCULE-2866386599	299.285	IXXFEHURJDNYOJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-058581
O=C(c1ncoc1c1nocc1)NCc1cnc2n1CCC2	MCULE-8294679890,EMOLS-id_319904603	299.285	DBKGIFHWNOEMJH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-058582
O=C(c1[nH]nc2c1CCC2)N/N=Cc1ccc(cc1)[N+](=O)[O-]	CoCoCo_44520,CoCoCo_44518	299.285	ZFCDLCSYMWDRQI-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058583
O=C(c1[nH]nc2c1CCC2)N/N=Cc1cccc(c1)[N+](=O)[O-]	CoCoCo_696346,CoCoCo_696348	299.285	KUCUEDMYVLLALN-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058584
O=C(c1n[nH]c2c1CCC2)N/N=C/c1ccc(cc1)[N+](=O)[O-]	PC-id_6867298,CoCoCo_44517,TIMTEC591111,CoCoCo_44519,BAS-00338642,EMOLS-id_614443,STOCK3S-32427	299.285	ZFCDLCSYMWDRQI-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058585
O=C(c1n[nH]c2c1CCC2)N/N=C/c1ccccc1[N+](=O)[O-]	PC-id_9656884,SPECS-id_AT-225/NB41711	299.285	PVAGPCIYFIHUEG-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058586
[O-][N+](=O)c1cccc(/C=N/NC(=O)c2n[nH]c3CCCc23)c1	CoCoCo_696347,PC-id_9562862,EMOLS-id_627589,CoCoCo_696345	299.285	KUCUEDMYVLLALN-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058587
Cn1nnc(c1)c1onc(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319859609,MCULE-2443032775	299.288	GDKOZYYAHAOKLY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-058588
c1([nH]nc(C(=O)NCc2c3CCCc3[nH]n2)c1)n1cnnn1	ZINC22_1857674940,PC-id_146043874,MCULE-8752353344,EMOLS-id_324128604	299.291	DVMXAMIINZJBCW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-058589
c1(n[nH]cc1C(=O)NCc1c2CCCc2[nH]n1)n1cnnn1	ZINC22_215840480,MCULE-2299985262,PC-id_77089519,EMOLS-id_49885533	299.291	SZGAZKALCNINEF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-058590
CC1CC(c2n1ccn2)NCCn1ccc(n1)C(F)(F)F	MCULE-6100872636,EMOLS-id_318098773	299.295	ADUOYBDKIZVTLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058591
Cc1cc(nn1CC(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318391554,MCULE-4450174008	299.295	NXIDAEJVSCCBIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058592
Cc1cc(nn1CCNC1CCn2c1ncc2)C(F)(F)F	MCULE-6059883431,EMOLS-id_318458105	299.295	YDYVZQANUUTVDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058593
CCn1ncc(c1C(F)(F)F)NCc1cnc2n1CCC2	MCULE-6597660137,EMOLS-id_318381563	299.295	NIPCUMGTHDYPBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058594
Cn1nc(cc1CNC1CC(n2c1ncc2)C)C(F)(F)F	EMOLS-id_318175591	299.295	ZROLNYZWZMHZOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058595
Cc1cc(c(cc1F)F)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316620601	299.296	QTVFZEKIKBPNSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058596
CCc1cc2n(c1C(=O)c1ccccc1F)CC=C2C(=O)O	SCHEMBL11603913,PC-id_70619380	299.296	HBHXEGZACKKJFQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-058597
Cn1ncc2c1CN(C2)S(=O)(=O)c1c(F)cccc1F	EMOLS-id_316640563	299.296	OPCPCLQIMVFCOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058598
Fc1cccc(c1CS(=O)(=O)N1CCn2c1ncc2)F	EMOLS-id_316448813,MCULE-5489612389	299.296	FOZOQSXZJPCDSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058599
Fc1cc(C)c(cc1S(=O)(=O)N1CCn2c1ncc2)F	MCULE-5807887295,EMOLS-id_320075450	299.296	YIFXQSCWWMPVFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058600
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318013375	299.296	ZAEJHDFOMLOYTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058601
Fc1cc(F)c(cc1S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_319310284	299.296	CKRMGCNGLMAJRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058602
FC(c1cccc(c1)S(=O)(=O)N1CCn2c1ncc2)F	MCULE-3547897380,EMOLS-id_320224778	299.296	GHGIJKBTGYFJOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058603
FC(c1onc(c1C(=O)Nc1sc2c(n1)CCC2)C)F	EMOLS-id_318755311	299.296	OVJSXFRBMDDYRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058604
s1c2CCCc2nc1NC(=O)NC(CC(=O)O)C(=O)O	PC-id_81657036	299.303	ZYHDEWDWXDXDDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058605
s1c2CCCc2nc1NC(=O)N(CC(=O)O)CC(=O)O	PC-id_63645298	299.303	KVUBWMGLLGUKCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058606
s1c2CCCc2nc1NC(=O)N[C@@H](CC(=O)O)C(=O)O	PC-id_81657107	299.303	ZYHDEWDWXDXDDP-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-058607
s1c2CCCc2nc1NC(=O)N[C@H](CC(=O)O)C(=O)O	PC-id_81657175	299.303	ZYHDEWDWXDXDDP-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058608
s1c2CCCc2nc1NC(=O)NC(=O)COCC(=O)O	PC-id_61511649	299.303	HDWJSKFFBHTURX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058609
OC(c1cnccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_102710184	299.311	MDPCYYIHNHZCIY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058610
FC(c1cccc(n1)CNc1sc2c(n1)CCC2)(F)F	EMOLS-id_318436448,MCULE-2209247307	299.315	FNIULJUBVVYYSS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058611
FC(c1cccc(n1)NCc1sc2c(n1)CCC2)(F)F	MCULE-4648508168,EMOLS-id_318625093	299.315	JVOWRNNUJIFREQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058612
FC(c1ccc(cn1)NCc1sc2c(n1)CCC2)(F)F	MCULE-9098472479,EMOLS-id_318530348	299.315	NAKRURREGOFFJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058613
FC(c1cccnc1NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318439414,MCULE-2109512750	299.315	FBTPGPFOLZTUMR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058614
FC(c1ccc(nc1)NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318506117,MCULE-5463841527	299.315	HACZEZKWDJHNKP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058615
FC(c1ccnc(c1)NCc1sc2c(n1)CCC2)(F)F	MCULE-7801447609,EMOLS-id_318532982	299.315	DUMFLCQCQPYPHO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058616
FC(c1ccnc(n1)CNC1CCc2c1scc2)(F)F	MCULE-6512905482,EMOLS-id_318571389	299.315	CLRCOOSJXVMGBB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-058617
FC(c1cncc(c1)NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318396283,MCULE-7707333760	299.315	JKUBFSUEFVGBNR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058618
FC(c1nccc(c1)CNc1sc2c(n1)CCC2)(F)F	EMOLS-id_318683600,MCULE-9083696632	299.315	WAXQUPJRPVNBLH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058619
FC(c1nccc(c1)NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318572206,MCULE-8177660347	299.315	PKVXBYHVVWRMOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058620
FC(c1ncccc1NCc1sc2c(n1)CCC2)(F)F	MCULE-9687957084,EMOLS-id_318698822	299.315	WSUGHTKRMJGTSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058621
s1c2CCCc2cc1CNc1nc(ccn1)C(F)(F)F	PC-id_61941256	299.315	DTUFQJDDSMCEIX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-058622
s1c2CCCc2cc1CNc1nnc(cc1)C(F)(F)F	PC-id_81836760	299.315	ZHFOZBJKQGVFRK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-058623
C1CC(CC(C1)OC(F)F)NC(=O)c1cnc2n1CCC2	MCULE-1763507839,PC-id_136553920,EMOLS-id_316915955	299.316	DBGFHWAQTFDFMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058624
FC(C(C1CCCCC1)NC(=O)c1nn2c(c1)OCC2)F	MCULE-4298147460,EMOLS-id_316838924	299.316	BOJDGSAXMUIGDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058625
O=C(N[C@@H]1CCC[C@@H](OC(F)F)C1)c1cnc2n1CCC2	ZINC22_1616043551	299.316	DBGFHWAQTFDFMU-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058626
O=C(N[C@H]1CCC[C@H](OC(F)F)C1)c1cnc2n1CCC2	ZINC22_1616043552	299.316	DBGFHWAQTFDFMU-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058627
O=C(N[C@H]1CCC[C@@H](OC(F)F)C1)c1cnc2n1CCC2	ZINC22_1616043553	299.316	DBGFHWAQTFDFMU-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058628
O=C(N[C@@H]1CCC[C@H](OC(F)F)C1)c1cnc2n1CCC2	ZINC22_1616043554	299.316	DBGFHWAQTFDFMU-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058629
O=C(N[C@H](C(F)F)C1CCCCC1)c1cc2n(n1)CCO2	ZINC22_623006260	299.316	BOJDGSAXMUIGDK-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058630
CCCc1cc2n(c1C(=O)c1ccc(o1)C)CC=C2C(=O)O	SCHEMBL11662318,PC-id_70629197	299.321	BSPXDIRHHYFTLG-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-058631
CCN(C(=O)c1occ2c1CCC2)c1cccc(c1)C(=O)O	MCULE-6260240988,EMOLS-id_318634049	299.321	VOIVBZFQTBWOJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058632
CCOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11345344,PC-id_13487044,CHEMBL9399	299.321	AAMLNSOOKQMCSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058633
CCOc1cccc(C(=O)c2ccc3n2CCC3C(=O)O)c1	CHEMBL9466,PC-id_13487043	299.321	VJLIYMURHXDXEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058634
CN(C(=O)c1occ2c1CCC2)Cc1ccc(cc1)C(=O)O	MCULE-2412406314,EMOLS-id_318606449	299.321	FNKGFXQNPZGTCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058635
COc1cc(/C=C/2Cn3c(C2=O)ccc3)cc(c1OC)OC	PC-id_139216891	299.321	BGKXKKCRJWXIGG-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058636
COc1ccccc1C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_20351601,SCHEMBL11600439	299.321	VTLAJFDZDGLNRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058637
COc1ccc(C(=O)c2c(C)cc3n2CCC3C(=O)O)cc1	PC-id_13780974,SCHEMBL10956596,CHEMBL166824	299.321	INHATMCOMRCALJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058638
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)OC	PC-id_118618255,SCHEMBL17384893	299.321	QEPJDIJDZZPIRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058639
o1cc2CN(Cc2c1)C(=O)CC(Cc1ccccc1)C(=O)O	PC-id_74011442	299.321	SOTAFSKAERJQCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058640
o1cc2CN(Cc2c1)C(=O)C[C@@H](Cc1ccccc1)C(=O)O	PC-id_22942362,SCHEMBL8398025	299.321	SOTAFSKAERJQCF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058641
o1cc2CN(Cc2c1)C(=O)C[C@H](Cc1ccccc1)C(=O)O	PC-id_22942363,SCHEMBL8397824	299.321	SOTAFSKAERJQCF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058642
O=C(c1n2CCC(C(=O)OC)(OC)c2cc1)c1ccccc1	MCULE-8992227042	299.321	RVAJGEGCYYKDNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058643
OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)O	SCHEMBL17361248,PC-id_118597470	299.321	MGULCOVOLHSBSK-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058644
OC(=O)Cc1ccccc1CNC(=O)c1occ2c1CCC2	EMOLS-id_319427304	299.321	BYNVZLDMLPRCKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058645
OC(=O)Cc1cccc(c1)N(C(=O)c1occ2c1CCC2)C	MCULE-8581789022,EMOLS-id_318738436	299.321	AEUINSARLXZDMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058646
OC(=O)C(N(C(=O)c1occ2c1CCC2)C)c1ccccc1	EMOLS-id_318486158,MCULE-1527162226	299.321	BOQWCMYMSGCGBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058647
c1(C(=O)Nc2ccc(cc2)CC(=O)OC)c2CCCc2[nH]n1	EMOLS-id_335026010,MCULE-6874229069	299.324	OFUSYTJXHZQNTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058648
c1(C(=O)Nc2ccc(cc2)C(=O)OC)c2CCCc2n(C)n1	EMOLS-id_179745409,PC-id_110389115,MCULE-8520270693	299.324	OSSLQFZPNRDZPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058649
c1(C(=O)Nc2cccc(c2)C(=O)OC)c2CCCc2n(C)n1	MCULE-1014708121,EMOLS-id_179745406,PC-id_110389114	299.324	JQZJAXUCAKVKJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058650
c1(C(=O)Nc2ccccc2C(=O)OC)c2CCCc2n(C)n1	PC-id_110389113,MCULE-9763223847,EMOLS-id_179745403	299.324	DKHVHOVBQJUKON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058651
c1(C(=O)Nc2ccccc2C(=O)OCC)c2CCCc2[nH]n1	EMOLS-id_179744958,PC-id_110388963,MCULE-4252012892	299.324	QTBTYTJMCOMVKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058652
c1(C(=O)Nc2cccc(c2)C(=O)OCC)c2CCCc2[nH]n1	MCULE-9926764669,EMOLS-id_335046742	299.324	POMDYHUXAFDFSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058653
c1(C(=O)Nc2ccc(cc2)C(=O)OCC)c2CCCc2[nH]n1	PC-id_110388949,MCULE-8167100634,EMOLS-id_179744916	299.324	XXDNILXSOPXVBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058654
c1(C(=O)Nc2ccc(cc2)C(=O)OCC)cn2c(CCC2)n1	EMOLS-id_321296349,MCULE-6928553033	299.324	HDDAKFURVBYCSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058655
c1(C(=O)Nc2ccccc2C(=O)OCC)cn2c(CCC2)n1	EMOLS-id_321296606,MCULE-7620773939	299.324	FQGGCWZMLFBHSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058656
c1(C(=O)NCc2ccc(cc2)C(=O)OC)c2CCCc2[nH]n1	MCULE-7389519998,EMOLS-id_323259832	299.324	JWQYRLPFKQNXRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058657
CC(c1ccccc1)(C(=O)O)NC(=O)c1c2CCCn2nc1	MCULE-6782828344,EMOLS-id_316875492,PC-id_136552824	299.324	MFNUREHVJQNBFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058658
C=CCOc1ccc(cc1OC)C(=O)N1CCn2c1ncc2	MCULE-2515782566,EMOLS-id_320120737	299.324	ASBKVUYWJSWRJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058659
CCN(C(=O)c1cc2n(n1)CCC2)c1cccc(c1)C(=O)O	MCULE-7297836971,EMOLS-id_318649108	299.324	USLNCIYJMMLIBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058660
CCN(C(=O)c1cnc2n1CCC2)c1cccc(c1)C(=O)O	EMOLS-id_318587247,MCULE-6276407822	299.324	SFGVMLHGOADTER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058661
CCN(C(=O)c1cnn2c1CCC2)c1cccc(c1)C(=O)O	MCULE-7138910866,EMOLS-id_318553139	299.324	DHHOWUQJXNNMBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058662
C[C@@](NC(=O)c1cnn2c1CCC2)(C(=O)O)c1ccccc1	ZINC22_663141488	299.324	MFNUREHVJQNBFP-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058663
C[C@](NC(=O)c1cnn2c1CCC2)(C(=O)O)c1ccccc1	ZINC22_663141489	299.324	MFNUREHVJQNBFP-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058664
CC(NC(=O)OCc1ccccc1)c1ncc2CC(=O)Cn12	EMOLS-id_324749127	299.324	QJXSVGGFGILEAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058665
CCOc1cc(ccc1OC)C=C1C(C)n2c(C1=O)ncn2	EMOLS-id_258063846,MCULE-5157530025	299.324	JLGBWZHYQFTKLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058666
CN(C(=O)c1cnc2n1CCC2)Cc1ccc(cc1)C(=O)O	MCULE-1268406475,EMOLS-id_318080595	299.324	KNSWDLDCCQCQBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058667
CN(C(=O)c1cnn2c1CCC2)Cc1ccc(cc1)C(=O)O	EMOLS-id_318106460,MCULE-6541898798	299.324	DXAVBZRZPSLCGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058668
CN(C(=O)c1nn2c(c1)CCC2)Cc1ccc(cc1)C(=O)O	MCULE-3491720340,EMOLS-id_318433253	299.324	KASDHEYJMDZIKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058669
COc1ccc(cc1)COCC1Cn2c(O1)nc(c2C)C#N	PC-id_140261635	299.324	LMNLRPHWPJLSGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058670
COc1ccc(cc1)COC[C@@H]1Cn2c(O1)nc(c2C)C#N	PC-id_140263737	299.324	LMNLRPHWPJLSGJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058671
COc1cc(ccc1OC)C(=O)NN=C1CCn2c1ccc2	PC-id_71899699,MCULE-6810091843,EMOLS-id_43641280	299.324	WOQFZBZFURIUIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058672
COC1(COC1)c1ccc(cc1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319167301	299.324	YBGOZINSYRRLLC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058673
COC1(COC1)c1ccc(cc1)C(=O)N1CCn2c1ccn2	EMOLS-id_319942421,MCULE-4477250203	299.324	USYVVGJJIBOHGH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058674
O(c1cc(C(=O)N/N=C/CCn3c2ccc3)ccc1OC)C	PC-id_75535308	299.324	WOQFZBZFURIUIE-ATVHPVEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-058675
OC1CC(N(C1)C(=O)c1cc2n(n1)CCO2)c1ccccc1	EMOLS-id_101845315	299.324	KXKXCRVTFDEWHU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-058676
O=C(c1occ2c1CCC2)NCc1cc(=O)[nH]c(n1)C1CC1	EMOLS-id_318832790	299.324	GNCFSNWBPUHVPP-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-058677
O=C(Nc1n(nc2c1CCC2)C)c1ccc(cc1)C(=O)OC	PC-id_45536291	299.324	WMXRDVIXDCMBSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058678
O=C(Nc1n(nc2c1CCC2)C)c1c(cccc1)C(=O)OC	PC-id_45536849	299.324	OVWDUDHJZNVECV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058679
O=C(NCCOC(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_43655442,ZINC22_78949182,PC-id_71869308,MCULE-3952296795	299.324	HLKPOLZYLDCEEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058680
OC(=O)Cc1ccccc1CNC(=O)c1cnn2c1CCC2	EMOLS-id_319212600	299.324	QVOUAFBTCOSPMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058681
OC(=O)Cc1ccccc1CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319177530	299.324	QFFONNBXSOKJLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058682
OC(=O)CCc1cccc(c1)NC(=O)c1cnn2c1CCC2	MCULE-5645389056,EMOLS-id_72508456,PC-id_121899660	299.324	DRIHAGWBHUTQIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058683
OC(=O)[C@@H](NC(=O)c1cnn2c1CCC2)Cc1ccccc1	PC-id_121897975	299.324	ZAZLLCPSPVLQBB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058684
OC(=O)[C@H](NC(=O)c1cnn2c1CCC2)Cc1ccccc1	PC-id_121898001,MCULE-9528920025,EMOLS-id_72506134	299.324	ZAZLLCPSPVLQBB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058685
OC(=O)CN(C(=O)c1cnn2c1CCC2)Cc1ccccc1	EMOLS-id_316407560,MCULE-4950881626	299.324	KWHWTZPTCQMNDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058686
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C)CC	MCULE-7745702859,PC-id_135649916,STOCK6S-67595,EMOLS-id_24576178	299.328	IWEHFUWIWWRVKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058687
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1C)C)C	MCULE-8025178934,PC-id_135629425,EMOLS-id_24577950,STOCK6S-68980	299.328	MJHSWWDIGTWUIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058688
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1C)CC	PC-id_135649924,EMOLS-id_27459404,STOCK6S-85548,MCULE-1834810042	299.328	HPAOTPKBTQNEPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058689
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(C)C	STOCK6S-55930,MCULE-4808718807,PC-id_135636012,EMOLS-id_17113584	299.328	VBXRCEBPOAOIED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058690
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)CC)C	STOCK6S-77704,EMOLS-id_27446928,MCULE-7794652788,PC-id_135649899	299.328	VNECSTJFADYIIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058691
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(C)c1)C)C	EMOLS-id_17110829,MCULE-6573576998,PC-id_135636001,STOCK6S-54119	299.328	QOFOQOVDUKMNGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058692
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(C)ccc1C)C	EMOLS-id_27456104,PC-id_135649910,MCULE-5688534381,STOCK6S-83488	299.328	FBFVSJIWWHKCBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058693
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(C)c1)CC	MCULE-5092355699,STOCK6S-73635,PC-id_135629431,EMOLS-id_24583766	299.328	HJLROAPWVRYLKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058694
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(C)cc(C)c1)C	STOCK6S-77307,EMOLS-id_27446314,MCULE-7651884106,PC-id_135649908	299.328	XXBAGDYYNVOOQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058695
c1(c2ccco2)noc(CN(C)Cc2[nH]nc3CCCc23)n1	PC-id_50973469,MCULE-7508980471,ZINC22_67805938,EMOLS-id_32416048	299.328	DVQBSZJMRGYONM-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-058696
c1(c2ccco2)oc(nn1)CN(C)Cc1c2CCCc2[nH]n1	EMOLS-id_55680395,MCULE-5092304941,PC-id_91839620,ZINC22_244724245	299.328	MQMZFWIORFCKMI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-058697
C1CN(CCN1c1ccccn1)C(=O)c1nn2CCOc2c1	PC-id_91959777	299.328	RQEUAFADBPDPHN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-058698
c1(C(=O)NCCNC(=O)c2cccnc2)c2CCCc2n[nH]1	MCULE-3806132246,ZINC22_125590327,EMOLS-id_82730779,PC-id_119070115	299.328	NIOKZZTUJBVAAW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058699
Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)c1	PC-id_135878577,ZINC22_31813318	299.328	XXBAGDYYNVOOQJ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058700
Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)c1	PC-id_135878578,ZINC22_31813323	299.328	XXBAGDYYNVOOQJ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058701
Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)c1	PC-id_135878663,ZINC22_31816018	299.328	FBFVSJIWWHKCBK-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058702
Cc1ccc(C)c(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)c1	ZINC22_31816014,PC-id_135878662	299.328	FBFVSJIWWHKCBK-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058703
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)c(C)c1	PC-id_135902124,ZINC22_20724731	299.328	MJHSWWDIGTWUIB-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058704
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)c(C)c1	ZINC22_20724734,PC-id_135902125	299.328	MJHSWWDIGTWUIB-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058705
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)N2	PC-id_135904137,ZINC22_13730902	299.328	QOFOQOVDUKMNGR-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058706
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)N2	ZINC22_13730899,PC-id_135904136	299.328	QOFOQOVDUKMNGR-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058707
Cc1onc(c1)n1c(C)cn(c1=O)Cc1nn2c(c1)CCC2	EMOLS-id_320005387,MCULE-5371325095	299.328	NFSUULQTNOZBBJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-058708
CCc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135878583,ZINC22_31813498	299.328	VNECSTJFADYIIN-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058709
CCc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135878584,ZINC22_31813503	299.328	VNECSTJFADYIIN-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058710
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1C)C(=O)N2	PC-id_135878688,ZINC22_31816970	299.328	HPAOTPKBTQNEPX-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058711
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1C)C(=O)N2	ZINC22_31816975,PC-id_135878689	299.328	HPAOTPKBTQNEPX-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-058712
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)cc1)C(=O)N2	PC-id_135901896,ZINC22_20720363	299.328	IWEHFUWIWWRVKW-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058713
CCc1nc2n(n1)[C@H](CC(=O)Nc1cccc(C)c1)C(=O)N2	PC-id_135950515,ZINC22_20744572	299.328	HJLROAPWVRYLKE-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058714
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(C)c1)C(=O)N2	PC-id_135950516,ZINC22_20744573	299.328	HJLROAPWVRYLKE-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-058715
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)cc1)C(=O)N2	ZINC22_20720366,PC-id_135901897	299.328	IWEHFUWIWWRVKW-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-058716
CCc1nn(C)c2n[nH]c(NC(=O)c3occ4c3CCC4)c12	PC-id_138997376,ZINC22_671727542,EMOLS-id_320324850,MCULE-9088293497	299.328	BLHTVIRCGNQETG-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-058717
CC(C)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	PC-id_135904216,ZINC22_13736485	299.328	VBXRCEBPOAOIED-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058718
CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	ZINC22_13736482,PC-id_135904215	299.328	VBXRCEBPOAOIED-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058719
CCC(=O)N(c1n[nH]c2c1CN(C2)C(=O)N)c1ccccc1	SCHEMBL2924986,PC-id_68443039	299.328	YWHDRKFNPULHNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058720
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1	PC-id_68441198,SCHEMBL2920162	299.328	OJHVKJVYJRFACP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058721
CC(=O)Nc1cccc(c1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319584577	299.328	KSPOPGWRALRRJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058722
CC(=O)Nc1cccnc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320203512,MCULE-6682722235	299.328	XEZJKDWUCKXRAL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058723
CC(=O)Nc1cccnc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319481533	299.328	WQHGZBMCHAESKP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058724
CC(=O)Nc1cnccc1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319011356	299.328	OVJHVYDXNVJMEN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058725
CC(=O)Nc1cnccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319372515	299.328	WEMALMGGDLDYKB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058726
CC(=O)Nc1cnccc1C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_320015021,MCULE-6952702254	299.328	PGPZKVIMRRQJNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058727
CC(=O)Nc1cnccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319581242	299.328	WWQSOQQSNVKYFF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058728
CC(=O)Nc1nccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318953479	299.328	VCAHRIIBLZZEPC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058729
CC(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68439619,SCHEMBL2915445	299.328	JDQROCQYGQRTRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058730
Cn1nc2c(c1NC(=O)c1cc(O)nc(C3CC3)n1)CCC2	ZINC22_568291607	299.328	OSIOLGWEQWTOCQ-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-058731
CN(C(=O)c1ccc(cn1)NC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_320033432,MCULE-1415889897	299.328	AKLZGLIIWYAIGD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058732
CN(C(=O)c1ccc(cn1)NC(=O)c1cnn2c1CCC2)C	EMOLS-id_319381665	299.328	DKIIGAVESGYQPP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058733
CN(C(=O)c1ccc(cn1)NC(=O)c1n[nH]c2c1CCC2)C	MCULE-4176227141,EMOLS-id_319965095	299.328	YLQOWKMHMOFPOW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058734
CNC(=O)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cn1	PC-id_146123915,ZINC22_264200932	299.328	RYVZLYZYNBBQGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058735
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1cccc(c1)C	SCHEMBL12335625,PC-id_68249305	299.328	GPGVATPYJYRJDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058736
NC(=O)C1N(Cc2c1c[nH]n2)C(=O)N(Cc1ccccc1)C	EMOLS-id_319475651	299.328	KVXJPOPTDSILSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058737
Oc1ccc(nn1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-5416642756,EMOLS-id_276242871	299.328	BQQASKGQEQIWQI-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-058738
Oc1ccnc(n1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319121842	299.328	QAKNPIWYHFREKP-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-058739
O=C(c1cnc([nH]c1=O)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_278892989	299.328	PMJPBFLVYMXZOW-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-058740
O=C(c1cnc([nH]c1=O)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319347697	299.328	DVKQRJLARFOYPI-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-058741
O=C(c1nn2c(c1)CCC2)NCc1cc(=O)[nH]c(n1)C1CC1	EMOLS-id_319049153	299.328	AWYVRTPYKNRMBG-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-058742
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1ccc(O)nn1	ZINC22_530074517	299.328	BQQASKGQEQIWQI-GFCCVEGCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-058743
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1ccc(O)nn1	ZINC22_530074519	299.328	BQQASKGQEQIWQI-LBPRGKRZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-058744
O=C(C(c1ccccc1)C)Nc1[nH]nc2c1CN(C2)C(=O)N	PC-id_68441860,SCHEMBL2922143	299.328	DLCIAQLEVIPUHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058745
O=C(Cc1ccccc1C)Nc1n[nH]c2c1CN(C2)C(=O)N	SCHEMBL2916703,PC-id_68440031	299.328	IEWREWZGGWTQBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058746
O=C(N1Cc2c(C1)nc(o2)CN1CCCC1)c1ccnnc1	PC-id_97406069	299.328	RMPVNTQQZFIEOS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-058747
O=C(N1Cc2c([nH]nc2NC(=O)c2ccccc2)C1)N(C)C	PC-id_71477723	299.328	QPNLLPRMJMYDDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058748
O=C(N1Cc2c([nH]nc2NC(=O)Cc2cc(ccc2)C)C1)N	PC-id_68441173,SCHEMBL2920091	299.328	KVTWITKYNPQPBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058749
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccc(cc2)C)C1)N	PC-id_68441407,SCHEMBL2920836	299.328	LHJQVXMNSBZJOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058750
O=C(N1CCCCC1c1ncccn1)c1nn2c(c1)OCC2	EMOLS-id_318803114	299.328	WLOUMHUVAGCRBT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-058751
O=C(N1CCn2c1ncc2)Nc1cccc(c1)C(=O)N(C)C	EMOLS-id_319782551	299.328	AKBVEZOCHVYMHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058752
O=C(NC1CC1)N1Cc2[nH]nc(COc3cccnc3)c2C1	EMOLS-id_44372006,ZINC22_96260229,PC-id_97520306	299.328	ZMFPCXKGZLACEY-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-058753
O=C(NCc1cnc2n1CCC2)c1cc(O)nc(C2CC2)n1	MCULE-6102276532,ZINC22_1434362900,EMOLS-id_319941548	299.328	PTRDNNGJWBDKRK-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-058754
O=C(NCc1n2CCCc2nn1)c1ccc(NC(=O)C)cc1	PC-id_17536535	299.328	FXXCERCWRVGEPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058755
O=C(NCc1n2CCCc2nn1)Nc1cc(ccc1)C(=O)C	PC-id_52187713	299.328	WTDAUDPGCBZBBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058756
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)cnn2ccn(C)c12	PC-id_137345128,EMOLS-id_317501813,MCULE-9487208408	299.331	CBXJVTJNUOQDDG-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-058757
Cc1nnc2n1C[C@H](CNC(=O)c1cnn3ccn(C)c13)C2	ZINC22_1772703188	299.331	CBXJVTJNUOQDDG-JTQLQIEISA-N	00000010100000000001000110000000000000000000000000000000	25-01-058758
Cc1nnc2n1C[C@@H](CNC(=O)c1cnn3ccn(C)c13)C2	ZINC22_1772703197	299.331	CBXJVTJNUOQDDG-SNVBAGLBSA-N	00000010100000000001000110000000000000000000000000000000	25-01-058759
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)c1ncccn1	EMOLS-id_319151450	299.331	BENHMBOSESDEGL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-058760
O=C(Nc1ccc(nn1)C1CC1)NCc1nnc2n1CCC2	EMOLS-id_100286666	299.331	TWVXDBRRWXZMPL-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-058761
O=C(NCc1nnc2n1CCC2)Nc1cnc(C2CC2)nc1	ZINC22_84338564,MCULE-5270955879,PC-id_71879362,EMOLS-id_44565110	299.331	PLYGXQZOFQPPOC-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-058762
Fc1ccc(cc1)C1(CCC1)NC(=O)c1occ2c1CCC2	EMOLS-id_318169121	299.339	QSWYMVHKWRVXBT-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-058763
C/C=CC=C(/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)[S@@](=O)C)F)F	SCHEMBL20967699,PC-id_138605464	299.34	NJPZGOQONMHFTP-OWNHVSFDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058764
c12CN(Cc1sc(OC)c2C(=O)O)C(=O)OC(C)(C)C	MCULE-2160664189,EMOLS-id_331065634	299.343	QNWXBAXGUHCZIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058765
c1(c2CCCc2[nH]n1)C(=O)N1CCC(c2ccccc2F)C1	EMOLS-id_43576429,PC-id_70740754,MCULE-4371512591	299.343	CXYDBZNNVGVTLO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-058766
c1(CNC(=O)C=Cc2ccccc2F)c2CCCc2nn1C	MCULE-5741558759,PC-id_91819397	299.343	UFMXHGPBFAYUOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058767
CC1CCc2c1c(nn2Cc1ccc(OCCF)cc1)C#N	EMOLS-id_331022324,MCULE-8494106662	299.343	RPYJSFNTZBWEMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058768
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(C#N)c12	EMOLS-id_330998975,MCULE-1808902304	299.343	HSBVYPVCRIZLJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058769
CCOc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1F	MCULE-2054399879,EMOLS-id_330998719	299.343	MCUOPLHAMPCYPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058770
CCOc1ccc(Cn2nc3CCC(C)c3c2C#N)c(F)c1	MCULE-2227011115,EMOLS-id_330999231	299.343	YMWCEPLWPVYNRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058771
CCOc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1F	MCULE-6083803143,EMOLS-id_331022068	299.343	CFMRQCPKQNOVGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058772
CCOc1ccc(Cn2nc(C#N)c3C(C)CCc23)c(F)c1	EMOLS-id_331018485,MCULE-6666221275	299.343	BQBJEDBIPVLDEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058773
Cn1nc2c(c1CNC(=O)/C=C/c1ccccc1F)CCC2	ZINC22_225818236,EMOLS-id_53884663	299.343	UFMXHGPBFAYUOG-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058774
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003830,MCULE-1997448073	299.343	YGMLXKGOHFTPQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058775
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1C#N	MCULE-4301002378,EMOLS-id_331002041	299.343	REUNNNOMVCRBTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058776
COc1cccc(C(C)n2nc3CCC(C)c3c2C#N)c1F	MCULE-6199824498,EMOLS-id_331002553	299.343	MMXRETDKLMADDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058777
COc1ccc(C(C)n2nc3CCC(C)c3c2C#N)c(F)c1	EMOLS-id_331003574,MCULE-9780624004	299.343	PHUXHTUHVGJMLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058778
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003066,MCULE-6088008681	299.343	DGSCTADXJKGWCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058779
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1C#N	MCULE-8247646313,EMOLS-id_331002810	299.343	CJNVTVWUMVEEBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058780
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005111,MCULE-3040856126	299.343	VGGVHXWTMCJHMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058781
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1C#N	MCULE-3650860069,EMOLS-id_331002297	299.343	OGVUEYUFSASPGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058782
Fc1cccc(c1)C1(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318711429	299.343	YSQINEHMVIEQDO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058783
Fc1ccc(cc1)C1(CCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318068407	299.343	HROFTFJXXQATPR-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058784
Fc1ccc(cc1)C1(C)CC1NC(=O)c1cnc2n1CCC2	EMOLS-id_318425473	299.343	SNQIUQWCOAKNKO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058785
Fc1ccc(cc1)C1(CCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318086301	299.343	PYJNVQHDQCQEEA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058786
Fc1ccc(cc1)C1(C)CC1NC(=O)c1cnn2c1CCC2	EMOLS-id_318757685	299.343	JIPOVXHYACUGOH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058787
Fc1ccc(cc1)C1(CCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318314805	299.343	LBCOTTKZMZERTH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058788
Fc1ccc(cc1)C1(C)CC1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318498921	299.343	PJWMZFOASHSTKX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058789
Fc1ccc(cc1)CC1(CC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318565131	299.343	RRKDCCHXWKZIKV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058790
Fc1ccc(cc1)CC1(CC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318521185	299.343	XFNFBGCXRYIOJU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058791
Fc1cccc(c1)[C@@H]1C[C@H](C1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318877497	299.343	ICMMULDXJWTQPV-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058792
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318910442	299.343	UOFLNMWPGJDUPV-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058793
Fc1cccc(c1)[C@@H]1C[C@H](C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318841925	299.343	BYLXREBJYGZEIG-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058794
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318849995	299.343	WZAAGCUVLAJHQU-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058795
Fc1cccc(c1)[C@@H]1C[C@H](C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318774821	299.343	AQQBPGUCZQTCQK-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058796
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318971415	299.343	VQMGFFTVGJICMN-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058797
Fc1ccc(cc1)N(C(=O)c1cn2c(n1)CCC2)C1CCC1	MCULE-5005988745,EMOLS-id_320148498	299.343	FTYWWIDBNGPNAA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-058798
Fc1ccc(cc1)N(C(=O)c1cnc2n1CCC2)C1CCC1	EMOLS-id_318805892	299.343	NTYQTCGEIGLOHK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-058799
Fc1ccc(cc1)N(C(=O)c1cnn2c1CCC2)C1CCC1	EMOLS-id_318964484	299.343	NBWHUQGMSPETKA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-058800
Fc1ccc(cc1)N(C(=O)c1nn2c(c1)CCC2)C1CCC1	EMOLS-id_319863806,MCULE-9469604779	299.343	JEXMUDDFIZWYAV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-058801
O=C(C1CC1c1cccc(c1)F)NC1CC(n2c1ncc2)C	EMOLS-id_318390943	299.343	ZOHHJRDGRZAJCZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058802
O=C(C1CC1c1ccc(cc1)F)NC1CC(n2c1ncc2)C	EMOLS-id_318699010	299.343	AAWCIUWXSZISNA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058803
O=C(C1(CC1)c1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_318729376	299.343	FYGAOETXFAIHPI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058804
O=C(C1CC1c1ccc(cc1)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318454721	299.343	SHPLTUZRAYYVCM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058805
O=C(C1CC1c1cccc(c1)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318484384	299.343	CUGSLDUVJGGKQB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058806
O=C(C1(CC1)c1ccccc1F)NCc1cnc2n1CCC2	EMOLS-id_318818087	299.343	WUDWVGUBIPAAHG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058807
O=C(C1(CC1)c1ccccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319155695	299.343	UOQMAOZKNXIQCK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058808
O=C(c1cnc2n1CCC2)N[C@@H]1C[C@H](C1)c1ccccc1F	EMOLS-id_318771244	299.343	DNOCTGIIRPONEF-HAQNSBGRSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058809
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H](C1)c1ccccc1F	EMOLS-id_318929145	299.343	MGCCFLGMHXBRAA-HAQNSBGRSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058810
O=C(c1nn2c(c1)CCC2)N[C@@H]1C[C@H](C1)c1ccccc1F	EMOLS-id_318777833	299.343	YCQUNYZXRBZAIH-HAQNSBGRSA-N	00001010100000110001100010000000000000000000000000000000	25-01-058811
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](c2ccccc2F)C1	ZINC22_77406402,PC-id_96389768	299.343	CXYDBZNNVGVTLO-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-058812
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2ccccc2F)C1	ZINC22_77406403,PC-id_96389769	299.343	CXYDBZNNVGVTLO-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-058813
O=C(c1occ2c1CCC2)NC1(COC1)CS(=O)(=O)C	EMOLS-id_316717077	299.343	WDEADWOIIVOLQA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-058814
O=C([C@@H]1C[C@H]1c1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_318511687	299.343	CFQCPLOYNYIYPJ-HFAULKRZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058815
O=C([C@H]1C[C@@H]1c1cccc(c1)F)NC1CC(n2c1ncc2)C	EMOLS-id_318658069	299.343	ZOHHJRDGRZAJCZ-MULWJCLTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058816
O=C([C@@H]1C[C@H]1c1ccc(cc1)F)NC1CC(n2c1ncc2)C	EMOLS-id_318698754	299.343	AAWCIUWXSZISNA-NSDPGXDNSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058817
O=C([C@@H]1C[C@H]1c1ccc(cc1)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318562054	299.343	SHPLTUZRAYYVCM-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058818
O=C([C@H]1C[C@@H]1c1cccc(c1)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318721042	299.343	CUGSLDUVJGGKQB-KGLIPLIRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058819
O=C([C@@H]1C[C@H]1c1ccccc1F)Nc1n(C)nc2c1CCC2	EMOLS-id_318723711	299.343	NTAKOKWNLRZNHC-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058820
O=C([C@@H]1C[C@H]1c1ccccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_318901619	299.343	DPOBGCHUQPMRGI-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-058821
O=C(NC1(Cc2ccc(F)cc2)CC1)c1n[nH]c2c1CCC2	EMOLS-id_101562537,MCULE-9162218333,ZINC22_333957467	299.343	ICPAWESIVDBEGW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-058822
s1c2c(CCC2)c(c1NC(=O)COCCOC)C(=O)O	PC-id_43172360	299.343	WDCFEELEFWWUPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058823
s1c2c(CCC2)c(c1NC(=O)OCCO)C(=O)OCC	PC-id_79345237	299.343	HMOSTVLZLZFAAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-058824
Fc1cccnc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_113800011	299.344	UHJUFDXJKQZIRJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058825
s1c2c(nc1NS(=O)(=O)c1ccc(F)cc1)CNC2	PC-id_82194123	299.344	DDGMPTAOHKOFIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058826
S(=O)(=O)(N1Cc2sc(nc2C1)N)c1ccc(F)cc1	PC-id_82194234	299.344	ACDANDXDGUQWNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058827
CC1CCC(O1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110435708	299.346	PGVMBUDYBAKARA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058828
CC1OCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389765	299.346	XISQGQCFKMUKEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058829
CCOC(=O)C1CCc2c1nc(s2)NCCOC(=O)N	PC-id_104289240	299.346	CMFUMWGYASHTSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058830
COC1(CCC1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389750	299.346	NXHZKRZJZRRDRP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-058831
COC(CC(=O)O)CNC(=O)Nc1sc2c(n1)CCC2	PC-id_103158931	299.346	DPQFZZHAABKHBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058832
COCCNC(=O)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104381689	299.346	CKCRMVMWDLXFJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058833
O=C(C1CCCCO1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389713	299.346	IZEPQVCVTUPJNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058834
O=C(C1(C)CCCO1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481203	299.346	BWNUOWYUVKUDOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058835
O=C(C1CCCOC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389786	299.346	IUQCSNSPNQEBMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058836
O=C(C1(C)COCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389611	299.346	JWRZHSIFZKJICR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058837
O=C(c1cn2c(n1)CCC2)NC1(COC1)CS(=O)(=O)C	EMOLS-id_316725268	299.346	COQBEZDVYAULAH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-058838
O=C(c1nn2c(c1)OCC2)NCC1CCCCS1(=O)=O	EMOLS-id_99598794	299.346	UMAYPVYPTSZDKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058839
O=C(c1n[nH]c2c1CCC2)NCC1OCCS(=O)(=O)C1	EMOLS-id_98562178	299.346	VZDGCMRWRBNSFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058840
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCO1	EMOLS-id_112057161	299.346	UXTBHOYNUYRIGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058841
OC(=O)C1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_72220300,MCULE-8832673392,PC-id_120396170	299.346	BJUGWYYOCZBLLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058842
OC(=O)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	MCULE-7871016450,EMOLS-id_72219942,PC-id_120396079	299.346	YQHFWHWNOSMLEI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058843
OC(=O)C1(C)CCN(C1)S(=O)(=O)c1cnc2n1CCC2	PC-id_120398626,EMOLS-id_72225712,MCULE-4470268578	299.346	ULXLENLDQCBCGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058844
OC(=O)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	MCULE-4293933013,PC-id_120395890,EMOLS-id_72220018	299.346	VSMXCYLTDXXUJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058845
O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cnc2n1CCC2	ZINC22_262352471	299.346	BJUGWYYOCZBLLS-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058846
O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cnc2n1CCC2	ZINC22_262352477	299.346	BJUGWYYOCZBLLS-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-058847
s1c2CCCc2nc1NC(=O)NC(CCOC)C(=O)O	PC-id_62473431	299.346	XUVUMHTYPRAYCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058848
s1c2CCCc2nc1NC(=O)N(CCOC)CC(=O)O	PC-id_79270992	299.346	SZZNGZISNHZQHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058849
s1c2CCCc2nc1NC(=O)NCC(O)(CC(=O)O)C	PC-id_66002223	299.346	VRZKAZBZGITCRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058850
S(=O)(=O)(N1C(CCC1)C(=O)Nc1onc2c1CCC2)C	PC-id_49698582	299.346	KYNBTBRKXWMPDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058851
c1(cc(ccc1O)N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328011408,MCULE-4802769264	299.348	PKJUNZGJLGJIBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058852
c1(c(cccn1)OC)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2824450325,EMOLS-id_318691614	299.348	IHIJMIRHBAPMMS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058853
c1(ccc(N)cc1O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327901200,MCULE-9771090819	299.348	OMSLFMNWXMTHAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058854
c1(NC(=O)c2cc(on2)C2CC2)sc2c(CCC2)c1C#N	EMOLS-id_2593644,CHEBI:105307,TIMTEC276402,MCULE-7434571081,ZINC22_2497992,PC-id_5307260,CHEMBL1565171	299.348	KXXDDIMSHHMFOE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-058855
c1(NC(=O)Cn2ccccc2=O)sc2c(CCC2)c1C#N	MCULE-9454744831,EMOLS-id_181318775,PC-id_84409832	299.348	WPVGZERHYPSEGP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058856
COc1ccc(cn1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318477663	299.348	RHPIGIIHVLRGMF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058857
COc1cccc(n1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318553286	299.348	WSBQHAGXHUZPFA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058858
COc1ccc(nc1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318750368	299.348	KRRAYYHRMDIFJD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058859
COc1ccnc(c1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318419362	299.348	BRZORHYWZSYYCS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058860
COc1ccncc1C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318658935	299.348	MFDXRQOVRKGWOJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058861
COc1ncc(cc1C#N)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318381501	299.348	AKGSTIDDEHAUMR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058862
COc1ncccc1C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318634073	299.348	MWXXJDCUEODKTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058863
C(=O)(Nc1sc2CCCc2c1C#N)c1ccc(N)c(O)c1	MCULE-7367688820,EMOLS-id_328032460,PC-id_107074340	299.348	HMLFACAGTCIDBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058864
C(=O)(Nc1sc2CCCc2c1C#N)c1ccc(O)c(N)c1	EMOLS-id_328020430,MCULE-7095252800	299.348	FGHBDCOOQCXZRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058865
N#Cc1ccc(cc1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288538	299.348	WTIMZHUKEDSSIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058866
N#Cc1cccc(c1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288540	299.348	QXOQSSSOMBTYRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058867
N#Cc1ccc(c(c1)Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288566	299.348	AMYFVDIBOJIJKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058868
N#Cc1ccc(cc1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288655	299.348	QDNFRZAWUUNITM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058869
N#Cc1cccc(c1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288656	299.348	YRUCYNXUNBSZOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058870
N#Cc1ccccc1N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104289097	299.348	RBZFNFHXDBMVLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058871
N#Cc1ccc(c(c1)NCc1sc2c(c1)CCC2)[N+](=O)[O-]	PC-id_104713530	299.348	ZSJLCYMANWOYOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058872
N#Cc1cccc(c1[N+](=O)[O-])NCc1sc2c(c1)CCC2	PC-id_104717738	299.348	RHTAXEPANAFNJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058873
N#Cc1ccc(c(c1)OC)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318575577	299.348	GPHRKTFHMLIFSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058874
N#Cc1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1	EMOLS-id_24125233,CoCoCo_4164116,MCULE-4944719024,ZINC22_12870623,PC-id_25566427	299.348	DQTUIACCRKVEBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058875
N#Cc1cc(NCc2sc3c(c2)CCC3)ccc1[N+](=O)[O-]	PC-id_115500210	299.348	XULNUMSYGJVHAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058876
N#Cc1c(NC(=O)c2cccc(c2O)N)sc2c1CCC2	PC-id_104204372	299.348	CSZNMTNDHYZPMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058877
N#Cc1c(NC(=O)c2cc(O)ccc2N)sc2c1CCC2	PC-id_107074341	299.348	YUFCZSXAEMDNDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058878
N#Cc1c(sc2c1CCC2)NC(=O)c1c[nH]c(cc1=O)C	PC-id_108101324	299.348	LSIRDXMUEUKSSX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-058879
N#Cc1nn(c2c1CC(=C2)C)S(=O)(=O)c1ccc(cc1)C	PC-id_23135160,SCHEMBL5530256	299.348	NZBQQAVLEPLWQC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-058880
N#Cc1nn(c2c1C=C(C2)C)S(=O)(=O)c1ccc(cc1)C	PC-id_23135171,SCHEMBL5535665	299.348	ZKRWLZABQQORCN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-058881
N#CCc1ccc(cc1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288547	299.348	GUYCVRSFXKACRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058882
OCC#Cc1cccnc1C(=O)Nc1sc2c(n1)CCC2	PC-id_107521774	299.348	LCLYCOSQQHLTQO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058883
O=C([C@@H]1CSC(=N1)c1ccccc1)N1Cc2conc2C1	ZINC22_1875396289	299.348	AWOQJBQBOZQWHB-ZDUSSCGKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-058884
s1c2CCCc2cc1CNc1c(cc([N+](=O)[O-])cc1)C#N	PC-id_61208393	299.348	PVXQSWVSNUMWLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058885
s1c2CCCc2cc1CNc1cc([N+](=O)[O-])c(cc1)C#N	PC-id_80034940	299.348	HHBBOBLIDOFDAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058886
s1c2CCCc2cc1CNc1c([N+](=O)[O-])cc(cc1)C#N	PC-id_61208194	299.348	DINYESRURHDEJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058887
s1c2CCCc2c(c1NC(=O)Cn1c(ccc1)C=O)C#N	PC-id_82030904	299.348	HABQIRIZKDIDGM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-058888
s1c2CCCc2nc1NC(=O)c1cc(cnc1)C#CCO	PC-id_61543864	299.348	ZUYNLGILFKQFEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058889
s1c2CCCc2nc1NC(=O)c1c(cncc1)C#CCO	PC-id_66482272	299.348	AXHYQVRWQUCFKB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058890
s1c2CCCc2nc1NC(=O)c1ncc(cc1)C#CCO	PC-id_62958983	299.348	FYJIPKIMEZTGMN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-058891
s1c2CCCc2nc1NC(=O)COc1c(cccc1)C#N	PC-id_26723131	299.348	IKRNOPQWIKLIQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058892
O=C(C1CCCC1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68439290,SCHEMBL2914605	299.349	PHHJTVLJNGYWFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058893
O=C(C1CN(C1)S(=O)(=O)C)NC1CC(n2c1ncn2)C	EMOLS-id_320098028,MCULE-8229251429	299.349	RRNIUWBGMKXFRO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-058894
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)S(=O)(=O)N	EMOLS-id_110852578	299.349	FOKWSGFTRYHUBO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-058895
O=C(NC1CCS(=O)(=O)C1)NCc1nnc2n1CCC2	MCULE-2028936328,PC-id_53506209,EMOLS-id_35690246	299.349	OAASYFAFYBPQNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058896
O=C(NCc1nnc2n1CCC2)N[C@@H]1CCS(=O)(=O)C1	PC-id_94593365,ZINC22_55078457	299.349	OAASYFAFYBPQNZ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058897
O=C(NCc1nnc2n1CCC2)N[C@H]1CCS(=O)(=O)C1	PC-id_94593366,ZINC22_55078460	299.349	OAASYFAFYBPQNZ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058898
P1(=O)([O-])C(N(C(C)C)C(C)C)Cn2c1[n+](c(c2C)C)C	PC-id_5231386	299.349	QFWJTAURBDLBIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058899
n1ccc(cc1)c1nnc(o1)NCc1sc2c(n1)CCC2	EMOLS-id_48765548,PC-id_75485043,MCULE-8634684289	299.351	YPANWWCUODKNEN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-058900
s1c2CCCc2c(c1NC(=O)c1nc([nH]n1)C1CC1)C#N	PC-id_80384527	299.351	CGKDZDZYRSTCDT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-058901
c1(C(F)F)c2CCCc2n(CC(=O)NCCCCCC)n1	ZINC22_36614010,TIMTEC272991,EMOLS-id_8867567,MCULE-6698967497,PC-id_19591032	299.359	KUBCJOZWZCGEFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-058902
C[C@](CO)(CNC(=O)c1occ2c1CCC2)c1ccccc1	ZINC22_585082936	299.364	XACLXHKPMJIXNS-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058903
C[C@@](CO)(CNC(=O)c1occ2c1CCC2)c1ccccc1	ZINC22_585082937	299.364	XACLXHKPMJIXNS-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058904
CN(C(=O)c1occ2c1CCC2)[C@@H](CCO)c1ccccc1	ZINC22_585081936	299.364	DQNXWDILCFIQRB-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058905
CN(C(=O)c1occ2c1CCC2)[C@H](CCO)c1ccccc1	ZINC22_585081937	299.364	DQNXWDILCFIQRB-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058906
COc1ccc(cc1)CCC1CCc2c1cc([nH]2)C(=O)OC	SCHEMBL1005555,PC-id_59180188	299.364	KHQUCRRFCXZDIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058907
COc1ccc(cc1)C(N(C(=O)c1occ2c1CCC2)C)C	MCULE-9104548661,EMOLS-id_177251290	299.364	BSQMTEMGKBSJQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058908
COc1ccc([C@@H](C)N(C)C(=O)c2occ3c2CCC3)cc1	ZINC22_349322309	299.364	BSQMTEMGKBSJQC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058909
COc1ccc([C@H](C)N(C)C(=O)c2occ3c2CCC3)cc1	ZINC22_349322310	299.364	BSQMTEMGKBSJQC-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058910
OCC(c1ccccc1)(CNC(=O)c1occ2c1CCC2)C	EMOLS-id_177250391,MCULE-2921873700	299.364	XACLXHKPMJIXNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058911
OCCC(N(C(=O)c1occ2c1CCC2)C)c1ccccc1	EMOLS-id_177194716,MCULE-8116846198	299.364	DQNXWDILCFIQRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058912
C=C1CC(c2c1cco2)N=C(c1ccccc1)c1ccccc1	PC-id_102029517	299.366	XDRLQQKDBNEHEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-058913
c12CN(Cc1nn(CC)c2C(=O)OCC)Cc1ccccc1	MCULE-4608613063,EMOLS-id_324349536	299.368	ICHWGGROEXEZTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058914
c12CN(Cc1nn(C(C)C)c2C(=O)OC)Cc1ccccc1	EMOLS-id_324342381,MCULE-9223938254	299.368	HAEVJOUPTZARNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058915
c12CN(Cc1nn(C(C)(C)C)c2C(=O)O)Cc1ccccc1	EMOLS-id_324345193,MCULE-6170768285	299.368	NOIRTVIIKFACHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058916
c12CN(Cc1nn(CC(C)C)c2)C(=O)OCc1ccccc1	MCULE-2534397227,EMOLS-id_324339555	299.368	LBNBYFZUAGXEBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058917
c1(CN(Cc2ccco2)C(=O)C2CC2)c2CCCc2n(C)n1	MCULE-1352284474,EMOLS-id_50145202,PC-id_86266513	299.368	KQDSARAVZDDQQO-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-058918
c1(CN(C)C(=O)CCOc2ccccc2)c2CCCc2[nH]n1	ZINC22_219544245,MCULE-1731335637,EMOLS-id_55635598,PC-id_91771595	299.368	JRBAABPWOHTFJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058919
c1(CNC(=O)Cc2cccc(OC)c2)c2CCCc2nn1C	ZINC22_225817535,PC-id_91819374,EMOLS-id_53884617,MCULE-4805943288	299.368	PUFLZYLFKSPGGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058920
c1(CNC(=O)C(C)Oc2ccccc2)c2CCCc2nn1C	PC-id_91819399,MCULE-6196532839,EMOLS-id_53884667	299.368	ZRESTDQHRPKIRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058921
c1(CNC(=O)COc2ccccc2C)c2CCCc2nn1C	EMOLS-id_53884603,MCULE-7184630214,PC-id_91819366,ZINC22_225817304	299.368	USNDQBHZXQUZSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058922
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2COC)n1	MCULE-6686299743,EMOLS-id_331037708	299.368	IOIJYXZKLBRDGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058923
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)OCC)n1	EMOLS-id_331038214,MCULE-8435898264	299.368	QALFFUQFLLGVNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058924
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2OCC)n1	MCULE-7571216119,EMOLS-id_331035656	299.368	KTUYGILZOXJYAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058925
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(C)c2)OC)n1	EMOLS-id_331035140,MCULE-1175828569	299.368	WFJXWXISMQKHDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058926
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)ccc2OC)n1	MCULE-5148053778,EMOLS-id_331035912	299.368	BSPUPRKCESDUBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058927
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(OC)c2)C)n1	MCULE-1427192530,EMOLS-id_331036678	299.368	QKJARGUSAZRLBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058928
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(OC)c2C)n1	MCULE-2800085357,EMOLS-id_331037196	299.368	FOEQJJQODNAKGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058929
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(OC)ccc2C)n1	EMOLS-id_331037452,MCULE-4108550084	299.368	VRBXKCNPYCSFMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058930
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1COC	EMOLS-id_331019702,MCULE-3051071428	299.368	FPJWFNVTFPAESH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058931
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)OCC	EMOLS-id_331020208,MCULE-2305311364	299.368	PJBLUADDSCRSPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058932
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1OCC	EMOLS-id_331021745,MCULE-7274688875	299.368	MAXOXKGAWRQKAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058933
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(C)c1)OC	EMOLS-id_331017149,MCULE-2176747548	299.368	HQZZSIWFMFVDMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058934
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)ccc1OC	EMOLS-id_331022001,MCULE-6321186255	299.368	GUAYFUIARKIVFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058935
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(OC)c1C	MCULE-1110543011,EMOLS-id_331019190	299.368	SUHCBJNWRZKWST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058936
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)C	MCULE-1295921336,EMOLS-id_331018672	299.368	WAFYTBKXKGSPBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058937
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(OC)ccc1C	EMOLS-id_331019446,MCULE-3544702599	299.368	BSIWRBIYJBSEFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058938
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC	EMOLS-id_331019192,MCULE-8259951978	299.368	YBTSBYSTAWOYAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058939
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccccc1OC	MCULE-5265140796,EMOLS-id_331018940	299.368	KVRIOHPLUPXBRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058940
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(OC)c1	EMOLS-id_331022010,MCULE-4329767177	299.368	SDFAGPVQRPAISU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058941
c1(C(=O)Nc2ccccc2OC(C)C)c2CCCc2n(C)n1	EMOLS-id_179745367,MCULE-8196637169,PC-id_110389101	299.368	WFEKMUUEFHKLJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058942
c1(C(=O)Nc2ccc(cc2)OC(C)C)c2CCCc2n(C)n1	EMOLS-id_179745370,MCULE-3420277548,PC-id_110389102	299.368	WQVYUDKJJLOTKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058943
c1(C(=O)Nc2ccccc2OCCC)c2CCCc2n(C)n1	EMOLS-id_320482061,PC-id_84467432,MCULE-5155833242	299.368	AEXFLHORGAYENM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058944
c1(C(=O)Nc2ccc(cc2)OCCC)c2CCCc2n(C)n1	PC-id_84466416,MCULE-3083018348,EMOLS-id_320480015	299.368	GXOWSXFHDBAUMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058945
c1(C(=O)Nc2ccccc2OCCCC)c2CCCc2[nH]n1	EMOLS-id_335034981,MCULE-7359072552	299.368	GUAZRMJATOHECI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058946
c1(C(=O)Nc2cccc(c2)OCC(C)C)c2CCCc2[nH]n1	EMOLS-id_335074413,MCULE-6597355612	299.368	WLXYMDNVTIELBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058947
c1(C(=O)Nc2ccc(cc2)OCCCC)c2CCCc2[nH]n1	MCULE-1090507284,EMOLS-id_335044970	299.368	USMWHQDJZBGEBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058948
c1(C(=O)Nc2ccc(cc2)OCC(C)C)c2CCCc2[nH]n1	MCULE-4001335524,EMOLS-id_335082845	299.368	KLPRWGTUMFKTIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058949
c1(C(=O)Nc2ccccc2OCC(C)C)c2CCCc2[nH]n1	MCULE-5775380514,EMOLS-id_335025272	299.368	VLWHEROHPVWCPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058950
c1(C(=O)Nc2cc(C)ccc2OC(C)C)c2CCCc2[nH]n1	EMOLS-id_335054206,MCULE-5680435548	299.368	OVWZWDNWYKPABG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058951
c1(C(=O)Nc2cc(C)ccc2OCCC)c2CCCc2[nH]n1	MCULE-5210076253,EMOLS-id_335040627	299.368	ZMDYDHJXCCLHMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058952
c1(C(=O)Nc2cccc(OCCC)c2)c2CCCc2n(C)n1	MCULE-6527653526,PC-id_84467406,EMOLS-id_320482827	299.368	DOSXZBXDLUMFDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058953
c1(C(=O)NCCc2ccccc2OC)c2CCCc2n(C)n1	EMOLS-id_179745118,PC-id_110389018,MCULE-6585979067	299.368	HXFHNGAOTWSDFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058954
c1(C(=O)NCCc2ccc(cc2)OC)c2CCCc2n(C)n1	EMOLS-id_179745124,PC-id_110389020,MCULE-2096120653	299.368	OHUPZSCEXZNSPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058955
c1(C(=O)NCCc2cccc(OC)c2)c2CCCc2n(C)n1	PC-id_110389019,MCULE-3066440203,EMOLS-id_179745121	299.368	DLZVWBKEKKDXEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058956
c1(C(=O)NCCOc2cc(C)cc(C)c2)c2CCCc2[nH]n1	MCULE-8898816000,EMOLS-id_335063138	299.368	BUDQRCKORNBYOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058957
c1(NC(=O)Cc2ccc(cc2)OCC)n(C)nc2CCCc12	PC-id_45536359,MCULE-6136307028,EMOLS-id_43484305,ZINC22_38510648	299.368	XTQAHBVSVHBUQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058958
c1(NC(=O)Cc2ccc(c(C)c2)OC)n(C)nc2CCCc12	PC-id_30859198,MCULE-5482549465,EMOLS-id_32181340,ZINC22_23135772,CoCoCo_5273055	299.368	SZOCHTAPBJBGHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058959
CC1CC(c2n1ccn2)NCc1cccc(c1)C1OCCO1	EMOLS-id_318419079,MCULE-8755052646	299.368	BIOVLGLDKGBFLW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-058960
Cc1cccc(C)c1OCC(=O)Nc1c2c(nn1C)CCC2	MCULE-3471896380,EMOLS-id_33313565,ZINC22_58417162,PC-id_47777652	299.368	BDAVKYLHHYEHAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058961
CC1(OCCO1)c1cccc(c1)CNC1CCn2c1ncc2	MCULE-6208226587,EMOLS-id_318765277	299.368	HYZRCBUICCAYKL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-058962
CC(c1cc(C)c(c(c1)C)NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_318405745	299.368	PLQPFJAYXFHLBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058963
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1N	MCULE-9796887269,EMOLS-id_331013034	299.368	DCSLWLKQQVQDGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058964
CC(C)c1ccc(cc1)C(C)NC(=O)c1nn2CCOc2c1	PC-id_91959774	299.368	VJIGAPINLMYQDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058965
CCC(c1ccccc1)CC(=O)N1Cc2c(C1CO)c[nH]n2	MCULE-7458448313,EMOLS-id_317026595	299.368	MJWFDLVXJJNUPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058966
CC(C)c1ccccc1OCCC(=O)N1CCn2ccnc12	EMOLS-id_177338245,ZINC22_585122418,MCULE-1855166828	299.368	BUYPVGIOAHFZIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058967
CC(Cc1ccc(cc1)O)N(C)C(=O)c1n[nH]c2c1CCC2	MCULE-4408452152,EMOLS-id_316923938,PC-id_136516052	299.368	LYBGHUIVMGYJBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058968
CC(C)(C)Oc1cccc(NC(=O)c2cnc3n2CCC3)c1	ZINC22_888556876,PC-id_136567217,MCULE-1398148445,EMOLS-id_316964294	299.368	UJTFWLNVCITOIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058969
C/C=C/C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_110208280	299.368	KQCQJUOQIRVNTF-ZZXKWVIFSA-N	00000010101000000001000010000000000000000000000000000000	25-01-058970
CC=CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109325	299.368	KQCQJUOQIRVNTF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-058971
CC[C@@H](CC(=O)N1Cc2n[nH]cc2[C@H]1CO)c1ccccc1	ZINC22_1775987372	299.368	MJWFDLVXJJNUPM-BLLLJJGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058972
CC[C@@H](CC(=O)N1Cc2n[nH]cc2[C@@H]1CO)c1ccccc1	ZINC22_1775987373	299.368	MJWFDLVXJJNUPM-LRDDRELGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058973
CC[C@H](CC(=O)N1Cc2n[nH]cc2[C@H]1CO)c1ccccc1	ZINC22_1775987374	299.368	MJWFDLVXJJNUPM-MLGOLLRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058974
CC[C@H](CC(=O)N1Cc2n[nH]cc2[C@@H]1CO)c1ccccc1	ZINC22_1775987375	299.368	MJWFDLVXJJNUPM-WBMJQRKESA-N	00000010100000110001000010000000000000000000000000000000	25-01-058975
CC(C)OCc1cccc(NC(=O)c2cnn3c2CCC3)c1	PC-id_136545671,EMOLS-id_316909145,MCULE-2886143293,ZINC22_582102635	299.368	NPTIHAQMLCDZJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058976
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1n[nH]c2c1CCC2	ZINC22_155030806	299.368	LYBGHUIVMGYJBX-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-058977
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1n[nH]c2c1CCC2	ZINC22_155030911	299.368	LYBGHUIVMGYJBX-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058978
C[C@@H](Oc1ccccc1)C(=O)NCc1c2c(nn1C)CCC2	PC-id_100759320,ZINC22_225818309	299.368	ZRESTDQHRPKIRA-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058979
C[C@H](Oc1ccccc1)C(=O)NCc1c2c(nn1C)CCC2	ZINC22_225818291,PC-id_100759314	299.368	ZRESTDQHRPKIRA-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058980
CC(NC(=O)c1n[nH]c2c1CCC2)CC(c1ccccc1)O	PC-id_112271940	299.368	QAPXIPQRNSVHPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058981
CCOc1ccc(cc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319877112,MCULE-7120621715	299.368	VQSXINGUZSIQCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058982
CCOc1cccc(c1)C(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_316908122,MCULE-1541770899	299.368	CEENJFMEOILIRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058983
CC(Oc1ccccc1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319626110	299.368	XOHZORWRUCQPCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058984
CCOc1cccc([C@@H](C)NC(=O)c2cnn3c2CCC3)c1	ZINC22_294590647	299.368	CEENJFMEOILIRA-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058985
CCOc1cccc([C@H](C)NC(=O)c2cnn3c2CCC3)c1	ZINC22_294590652	299.368	CEENJFMEOILIRA-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058986
CCOc1ccc(CN(C)C(=O)c2cn3c(n2)CCC3)cc1	EMOLS-id_316905902,ZINC22_583441951,MCULE-2256814912	299.368	NFXCIBRCILLEGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058987
CN(CCOCc1ccccc1)C(=O)c1n[nH]c2c1CCC2	ZINC22_89346326,MCULE-3018499420,EMOLS-id_45666381,PC-id_71921062	299.368	BSHGUWKTURHVMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058988
COc1ccccc1C(C)(C)NC(=O)c1n[nH]c2c1CCC2	PC-id_146123920,ZINC22_103104178	299.368	VTTWKAVUPIMEGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058989
COc1cc(ccc1C)CC(=O)NCc1n[nH]c2c1CCC2	MCULE-4242486033,EMOLS-id_320034182	299.368	WDAZYFQECDGRSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058990
COc1ccc(cc1)C(C(=O)N1Cc2c(C1)cnn2C)CC	EMOLS-id_318081971	299.368	SYRFIDGEYZCOJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058991
COc1ccc(cc1CC(=O)NCc1cnc2n1CCC2)C	EMOLS-id_320068058,MCULE-5679208820	299.368	WABAHRJBALHEEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058992
COc1cccc(c1)C(C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319146796	299.368	FFQVUSDIODETBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058993
COc1cc(C)c(c(c1C)C)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_318703587	299.368	QTETZPSMGJBHCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058994
COc1cc(C)c(c(c1C)C)NC(=O)c1cnc2n1CCC2	EMOLS-id_318510190	299.368	DWJDTELCGHNBHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058995
COc1cc(C)c(c(c1C)C)NC(=O)c1cnn2c1CCC2	EMOLS-id_318694573	299.368	SGPMQTNVJMUAIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058996
COc1c(C)cc(cc1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318551154	299.368	XUYXISCUJNMALQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058997
COc1c(C)cc(cc1C)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318468946	299.368	WWHORBTVCBPPPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058998
Oc1ccc(cc1)CC(C(=O)NC1CCn2c1ncc2)(C)C	MCULE-3776868631,EMOLS-id_319909764	299.368	UWMJJVSTEXIAOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-058999
Oc1cccc(c1)C(C(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318910583	299.368	SZHSVAJVLRBWHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059000
Oc1cccc(c1)C(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_319767892	299.368	RGHCGWVICPRYQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059001
Oc1cccc(c1)C(C(=O)NCc1nn2c(c1)CCC2)(C)C	MCULE-5398018600,EMOLS-id_320276885	299.368	RMJXGEZWTIKMDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059002
O=C(c1cc2n(n1)CCO2)NC(C(C)(C)C)c1ccccc1	EMOLS-id_318457250	299.368	FZTAAKXRTPUOPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059003
O=C(c1cc(ccc1O)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_318912428	299.368	UZGRKWVTVRBQFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059004
O=C(c1cnc2n1CCC2)Nc1ccccc1OC(C)(C)C	EMOLS-id_318741951	299.368	OVSCDCPRDJEVMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059005
O=C(c1cnn2c1CCC2)Nc1ccccc1OC(C)(C)C	EMOLS-id_318488971	299.368	CGFAWXXTZSMUFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059006
O=C(c1cnn2c1CCC2)Nc1cccc(c1)OC(C)(C)C	EMOLS-id_318630745	299.368	VYRJBMQYBMNGEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059007
O=C(c1nn2c(c1)CCC2)Nc1cccc(c1)OC(C)(C)C	EMOLS-id_318658703	299.368	AXGOGMCZYXFRTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059008
O=C(c1nn2c(c1)CCC2)Nc1ccccc1OC(C)(C)C	EMOLS-id_318789382	299.368	MKIGWRZFKHFOTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059009
O=C(c1nn2c(c1)OCC2)NCc1ccccc1C(C)(C)C	EMOLS-id_318469205	299.368	ZENCRIVRGRRDRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059010
O=C(c1nn2c(c1)OCC2)NCc1ccc(cc1)C(C)(C)C	EMOLS-id_318712587	299.368	AVDPSYQHZQYXJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059011
O=C(c1occ2c1CCC2)N1CCC(CC1)Cc1ccn[nH]1	EMOLS-id_319614355	299.368	GWDMKIVACDLCME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059012
O=C(c1occ2c1CCC2)N1CCC(CC1)Cc1ncc[nH]1	EMOLS-id_318649153	299.368	UYXNYIDHHNEVNG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059013
O=C(c1occ2c1CCC2)N1CCC(CC1)Cn1cncc1	EMOLS-id_319264081	299.368	JFSFDMIVJNNPMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059014
O=C(c1occ2c1CCC2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_319039414	299.368	PORJQQYERSVTEH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059015
OC(C(c1ccccc1)C)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318242538	299.368	KNXFFZFJVSFCSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059016
OCC(c1ccc(cc1)CC)NC(=O)c1n[nH]c2c1CCC2	PC-id_109946667	299.368	KUPAPURTNDYKRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059017
OCCC(c1ccccc1)CNC(=O)c1n[nH]c2c1CCC2	PC-id_112128199	299.368	ITHDMIPEXJDEQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059018
O=C(C(Cc1ccc(cc1)O)(C)C)NC1CCn2c1cnc2	EMOLS-id_316301224,MCULE-8423663867	299.368	KIGBGZLDHJQDRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059019
O=C(CC(c1ccccc1)(O)C)NCc1cnc2n1CCC2	EMOLS-id_319095907	299.368	WWMYCMICCXEHHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059020
O=C(C(Cc1ccccc1)(O)C)NCc1cnc2n1CCC2	MCULE-1644816581,EMOLS-id_319938018	299.368	ILNYDQWGXPWTCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059021
OCCCC(c1ccccc1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318004506	299.368	HBEVPDKRFLZHNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059022
OCCCC(c1ccccc1)NC(=O)c1n[nH]c2c1CCC2	PC-id_112342592	299.368	GWVJHKFVWBZVOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059023
O(C(C)(C)C)C(=O)N1Cc2c(nn(c2)Cc2ccccc2)C1	PC-id_84751045	299.368	IIMHDUYRWFCZOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059024
O(C(C)(C)C)C(=O)N1Cc2[nH]c(nc2C1)Cc1ccccc1	PC-id_83949650	299.368	RJWBTHCIRUAVDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059025
OCCCN(C(=O)c1nn2c(c1)CCC2)Cc1ccccc1	EMOLS-id_318094486	299.368	CFZMXZNJSCKDCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059026
OCCC(N(C(=O)c1n[nH]c2c1CCC2)C)c1ccccc1	PC-id_112345826	299.368	XZEUKWVCOFMRFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059027
OCCN(C(=O)c1cnc2n1CCC2)Cc1ccc(cc1)C	EMOLS-id_317983671	299.368	WOWMYDUAGYLOAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059028
OCCN(C(=O)c1cnn2c1CCC2)Cc1ccc(cc1)C	EMOLS-id_318092444	299.368	USGHIJFRAIQMDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059029
OC(C(NC(=O)c1n[nH]c2c1CCC2)C)Cc1ccccc1	PC-id_112378836	299.368	JGIFPCJCUTVHLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059030
O=C(C(Oc1cccc(c1)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_317977796	299.368	WJJZMSILWRDJDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059031
O=C(C(Oc1ccc(cc1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319260199	299.368	AAQANXOXZSJSDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059032
O=C(C(Oc1ccccc1)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319640961	299.368	BNAWYWYFCJQUER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059033
O=C(C(Oc1cccc(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_320164654,MCULE-7710448403	299.368	RIHDFHVWFAGNEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059034
O=C(C(Oc1cccc(c1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319197625	299.368	OVTZMOGBNWZHTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059035
O=C(C(Oc1ccc(cc1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319247181	299.368	OHPDNIWRIQDPLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059036
O=C(N1CCCC1c1[nH]c(c(n1)C)C)c1occ2c1CCC2	EMOLS-id_319327475	299.368	LTQNCULVCZVLAE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059037
O=C(NC1CC(n2c1ncc2)C)COc1cc(C)cc(c1)C	EMOLS-id_318656385	299.368	XFHVXPQFVBSKKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059038
O=C(Nc1n(C)nc2c1CCC2)COc1cc(C)ccc1C	EMOLS-id_317948096	299.368	UGFSXNFXEBLZJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059039
O=C(NCc1cnc2n1CCC2)COc1ccc(c(c1)C)C	EMOLS-id_319821082	299.368	RQSGQPMQYWUMGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059040
O=C(NCc1cnc2n1CCC2)COc1cc(C)ccc1C	EMOLS-id_318951553	299.368	RQKLWWPCGTXBQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059041
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(c(c1)C)C	EMOLS-id_319055606	299.368	TZSHFYVJZXQIQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059042
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(cc1C)C	MCULE-4661465463,EMOLS-id_320145623	299.368	GBYRQVPFAPDTKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059043
O=C(NCc1n[nH]c2c1CCC2)COc1cc(C)cc(c1)C	EMOLS-id_319128493	299.368	PTBJTYVKSAHMDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059044
COc1ccsc1S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_257937648,MCULE-3196383280	299.369	OAEVETBYEZLXHK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-059045
NCc1ccc(o1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053355	299.369	ATZAIAKNQNDQPT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059046
OCc1[nH]cc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978048	299.369	OFUQRXZIZRCVGJ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-059047
S1C[C@H](N(C1)C(=O)Nc1sc2CCCc2n1)C(=O)O	PC-id_61509958	299.369	PCIFNZBWEPPQJY-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059048
S1CC(N(C1)C(=O)Nc1sc2CCCc2n1)C(=O)O	PC-id_61510413	299.369	PCIFNZBWEPPQJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059049
S(=O)(=O)(Nc1snc2CCCc12)c1c(C)noc1C	MCULE-3991955314,PC-id_54774350	299.369	OBEPSZICAFTBPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059050
c1cc(NCc2cnn3c2CCC3)ncc1N1CCOCC1	EMOLS-id_316323724,ZINC22_656769207,MCULE-1937337483	299.371	RLAQSROFFDINJI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-059051
c1(CN(C)CCC(=O)Nc2cccnc2)c2CCCc2[nH]n1	PC-id_91836498,ZINC22_252501281,MCULE-4636556382,EMOLS-id_55658286	299.371	UDJSCPALKPMDSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059052
c1(C(=O)NCCCNc2ccc(cn2)C)c2CCCc2[nH]n1	MCULE-2841797040,PC-id_77096961,ZINC22_216426118,EMOLS-id_49898403	299.371	WBPLXZASSKACKA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059053
CC1CC(c2n1ccn2)Nc1ccc(cn1)N1CCOCC1	EMOLS-id_318360631,MCULE-1793049799	299.371	USIDPHSBXZFVGT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-059054
CC1CC(c2n1ncn2)NC1CCOC(C1)c1cccnc1	EMOLS-id_318777344,MCULE-6891385008	299.371	MNUOLVJEJDUXLO-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-059055
CC1CC(c2n1ncn2)NC1CCOC(C1)c1ccncc1	MCULE-3998586157,EMOLS-id_318665720	299.371	ZEOHAVFSGIZIBS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-059056
CC1CC(c2n1ncn2)NCc1ccc(nc1)OCC1CC1	MCULE-4083247031,EMOLS-id_320024504	299.371	VXKJEPKDAGBFAJ-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-059057
CC1CC(c2n1ncn2)N[C@@H]1CCO[C@H](C1)c1ccccn1	EMOLS-id_318683088,MCULE-8845559949	299.371	GHRRKZCJRKJREA-HTLISINNSA-N	00000010100010101001100010000000000000000000000000000000	25-01-059058
Cc1ccc(cc1)CNC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318532384	299.371	HNTVYVCVEZKSRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059059
Cc1cc(cc(c1)C)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318680681	299.371	KJKDTSWTUFBQGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059060
Cc1ccc(c(c1)C)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318717152	299.371	LUDDYZHFLZPJJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059061
Cc1cccc(c1)C(=O)NCCNC1CC(n2c1ncn2)C	EMOLS-id_258181833,MCULE-1725302632	299.371	RUUVBLRIJJUABU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059062
Cc1ccc(c(c1)NC(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_318553407	299.371	DGQAXPBVNHYBOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059063
Cc1cc(C)c(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319285512	299.371	CZWHTEVXPBMOHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059064
Cc1c(cnn1C1CCCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318501821	299.371	KBBDGIFHNXMZPC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059065
Cc1c(cnn1C1CCCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318553502	299.371	ADUVIBRMTWFJMN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059066
Cc1cncc(C(=O)N2Cc3c(CN(C)C)nn(C)c3C2)c1	ZINC22_96084441,PC-id_97405267,EMOLS-id_46181887	299.371	ZAMOIJYUPWJKRJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059067
Cc1cnn(c1)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_42879620,MCULE-1670282374,PC-id_72142594	299.371	XQLIWUVHSIHAAW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059068
Cc1cnn(c1)C1CCN(CC1)C(=O)c1cnn2c1CCC2	MCULE-9596927245,EMOLS-id_320127638	299.371	BVDZKKGIOFSZHS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059069
Cc1cnn(c1)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_53624478,MCULE-1679186552,EMOLS-id_36688163	299.371	RVHMWQCTDKJAQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059070
Cc1cnn(C[C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)c1	PC-id_95350897,ZINC22_70011435	299.371	RVHMWQCTDKJAQT-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059071
Cc1cnn(C[C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)c1	ZINC22_70011433,PC-id_95350896	299.371	RVHMWQCTDKJAQT-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059072
Cc1cnn([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	PC-id_95737437,ZINC22_72235782	299.371	XQLIWUVHSIHAAW-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059073
Cc1cnn([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	ZINC22_72235783,PC-id_95737438	299.371	XQLIWUVHSIHAAW-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059074
Cc1nc(ccc1NC1CCn2c1ncc2)N1CCOCC1	MCULE-7226061562,EMOLS-id_318157654	299.371	GQRKMOIWVTWUDJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-059075
Cc1ncc(c(n1)C(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318489053	299.371	PHCPMGRFIJQDLX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059076
Cc1ncc(c(n1)C(C)C)C(=O)NCc1cnc2n1CCC2	MCULE-6310722641,EMOLS-id_319953199	299.371	QFAJHVIPKNSUCF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059077
Cc1nccn1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_95328042,ZINC22_69779270	299.371	ZWHXUKRDCGUVPM-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059078
Cc1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_69779269,PC-id_95328041	299.371	ZWHXUKRDCGUVPM-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059079
Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)C2	ZINC22_1772804225	299.371	JLSBCIAXBBSVGE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059080
Cc1nnc2n1C[C@H](CNC(=O)c1ccc(N(C)C)cc1)C2	ZINC22_1772804226	299.371	JLSBCIAXBBSVGE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059081
Cc1n[nH]c(c1)C1CCCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_318776883	299.371	RVXXYBYIBOLQAQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059082
CCc1ccc(cc1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319120852	299.371	VUYQZRBSUBLBPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059083
CCc1cccc(c1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319121555	299.371	PXJFQVCMSUVIGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059084
CC(c1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319225451	299.371	SETORUDWVFRFDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059085
CC(c1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319289127	299.371	QNWKEOSLORTDRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059086
CCc1cccc(c1NC(=O)N1Cc2c(C1)c(n[nH]2)N)CC	SCHEMBL4726438,PC-id_69163216	299.371	VLWCZNGNQDKRDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059087
CCc1cccc(C)c1NC(=O)NCc1nnc2n1CCC2	PC-id_52186238,ZINC22_43156413,EMOLS-id_36633518,MCULE-5062233762	299.371	QBNWIARMWNCOOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059088
CC(c1cnn(c1)C1CC1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319503325	299.371	SHNLPKWGSFQZLV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059089
CCCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319149044	299.371	DZJDRYMLFZAXMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059090
CCCc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319154439	299.371	SDCLHGWILSVUQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059091
CC(C)c1ccccc1NC(=O)N1Cc2nn(C)c(N)c2C1	ZINC22_902700442	299.371	ACAANYBJEVNVQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059092
CC(C(c1cccnc1)CNC(=O)C1NCc2c1c[nH]n2)C	MCULE-5045237434,EMOLS-id_320222331	299.371	ZKWODPLMBDKFRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059093
CC(C)c1ncc(CN(C)C(=O)c2cn3c(n2)CCC3)cn1	EMOLS-id_316909222,ZINC22_569342562,MCULE-1743269482	299.371	CLMFJRNLXWSPSV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059094
C#CCCC1(CCC(=O)NCCc2cn3c(n2)CCC3)N=N1	PC-id_146152928,ZINC22_1875381640	299.371	BTEQZNPKLFWTAO-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-059095
CC[C@@H](C)n1ncc(C(=O)N2CCn3nccc23)c1C1CC1	ZINC22_375575191	299.371	VGYWUNVSDGHBKP-LLVKDONJSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059096
CC[C@H](C)n1ncc(C(=O)N2CCn3nccc23)c1C1CC1	ZINC22_375575192	299.371	VGYWUNVSDGHBKP-NSHDSACASA-N	00100010100000000001100010000000000000000000000000000000	25-01-059097
CC(C)N1Cc2[nH]nc(C(=O)N(C)Cc3ccccn3)c2C1	EMOLS-id_44325341,PC-id_97461987,ZINC22_96187529	299.371	WKRLAAFNWZBWQT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059098
CCC(n1ncc(c1C1CC1)C(=O)N1CCn2c1ccn2)C	MCULE-6974886409,EMOLS-id_316052381	299.371	VGYWUNVSDGHBKP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059099
CCC(=O)N(c1ccc(cc1)NC1CC(n2c1ncn2)C)C	EMOLS-id_318607703,MCULE-4365133546	299.371	AGLHZYLHVXFRME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059100
CCn1nc(cc1C1CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319954578,MCULE-5369761692	299.371	FGNUGKPBBPHQBH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059101
CCn1ncc(c1C1CC1)C(=O)NCc1cnc2n1CCC2	MCULE-1414985994,EMOLS-id_320006843	299.371	MUHHDWMBKRZVGK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059102
CCn1nc(cc1C(=O)NCc1n[nH]c2c1CCC2)C1CC1	EMOLS-id_319597174	299.371	ABDYSANBUBYNIX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059103
CCn1nc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C1CC1	EMOLS-id_319943038,MCULE-5593537355	299.371	XBXZILPIYOOXEB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059104
CC(N(c1cccc(c1)NC(=O)N1CCn2c1ncc2)C)C	EMOLS-id_318628651	299.371	ITPAIEPNLOCHSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059105
CC(Nc1ccc(cn1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319375463	299.371	DZSHNOMPTDZRQZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059106
CC(Nc1ccc(cn1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318886409	299.371	DRSYCCLJRHFDHI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059107
CC(Nc1ncccc1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318899932	299.371	UDLDDDXGBVXUME-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059108
CCNC(=O)c1ccc(cc1)CNC1CC(n2c1ncn2)C	EMOLS-id_319489584	299.371	WRJGMXWUCMVBLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059109
CCNC(=O)c1cccc(c1)CNC1CC(n2c1ncn2)C	MCULE-4319986674,EMOLS-id_319848892	299.371	GWZMYHBQRSWMAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059110
CCN(C(=O)c1cccc(c1)NC1CC(n2c1ncn2)C)C	EMOLS-id_318708994,MCULE-3168660840	299.371	DRPKOHRRAAEIMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059111
CC(=O)N(c1ccc(cc1)CNC1CC(n2c1ncn2)C)C	EMOLS-id_318716702,MCULE-1920921731	299.371	JGORIJFYXXAGPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059112
Cn1nccc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_334369689	299.371	UYIOPVBCACUOMT-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059113
Cn1nccc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_334369691	299.371	UYIOPVBCACUOMT-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-059114
Cn1nc(c(c1)C(=O)NC1CC(n2c1ncc2)C)C1CCC1	EMOLS-id_318551279	299.371	XVYCIFSBZZWZJF-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-059115
Cn1nc(cc1NC(=O)c1cnc2n1CCC2)C1CCCC1	EMOLS-id_318628840	299.371	PYPPENCRANPIEP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059116
Cn1nc(cc1NC(=O)c1nn2c(c1)CCC2)C1CCCC1	EMOLS-id_318437859	299.371	PBBWGHXKOMQZJE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059117
CN(C(c1ccccc1)CNC(=O)C1NCc2c1c[nH]n2)C	MCULE-9888407456,EMOLS-id_320184320	299.371	FUJCHNHJYJINSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059118
CN(C)c1ccc(cc1)C(=O)NCC1Cc2nnc(C)n2C1	MCULE-2941956533,EMOLS-id_317863082	299.371	JLSBCIAXBBSVGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059119
CN(Cc1ccc(nc1)NC(=O)c1n(C)nc2c1CCC2)C	EMOLS-id_319519897	299.371	BXMFYRNCRIFKOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059120
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccc(nc1)C)C)C	PC-id_97413560	299.371	YQFMAIHPOTZVOI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059121
CN(CC(=O)NCc1n[nH]c2c1CCC2)Cc1cccnc1	EMOLS-id_68911923,ZINC22_299780657,PC-id_118780806,MCULE-5625344442	299.371	CDILBRWWADJVHS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059122
CN(C(=O)c1cc(ccc1C)NC1CC(n2c1ncn2)C)C	EMOLS-id_318634618	299.371	DXSIXGDTENFJJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059123
CN(C(=O)c1ccc(cc1)C(N)C)Cc1nnc2n1CCC2	MCULE-9185743024,EMOLS-id_317998358	299.371	POFJSJZTEPHBHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059124
CN(C(=O)c1ccc(c(c1)NC1CC(n2c1ncn2)C)C)C	EMOLS-id_318516583	299.371	RWFUYJZJUQNPPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059125
CN(C(=O)c1n(C)nc2c1CCC2)CCNc1ccccn1	EMOLS-id_319229719	299.371	QICWMQCHXYGCSO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059126
NCC(c1ccccc1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_302705144,PC-id_119841155,MCULE-1662030481	299.371	VXLNHFPUJGTOGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059127
O1CCN(CC1)c1ccc(nc1)NCc1cnc2n1CCC2	EMOLS-id_318392327,MCULE-7219318567	299.371	IMIWUFOSEJGWRA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-059128
O1CCN(CC1)c1ncccc1NCc1cnc2n1CCC2	MCULE-8982506166,EMOLS-id_318389001	299.371	LFWMEIXGQUTBEA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-059129
O=C(c1cc2n(n1)CCC2)N1CCC(Cc2ncc[nH]2)CC1	ZINC22_333522730,MCULE-8424999583,EMOLS-id_102236870	299.371	WIUKEDWNNOSJNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059130
O=C(c1cc2n(n1)CCC2)Nc1ccn(n1)C1CCCCC1	EMOLS-id_318680184	299.371	CKIPKFNHZSGVLL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059131
O=C(c1cc2n(n1)CCC2)Nc1n[nH]c(c1)C1CCCCC1	EMOLS-id_101234269	299.371	HAVCTMRJQQUUOG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059132
O=C(c1ccnn1C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318603247	299.371	ZNCCSLRAPHOLBS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059133
O=C(c1ccn(n1)C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318691670	299.371	QPZKHMBGGLDDMA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059134
O=C(c1ccn(n1)C1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_100260848	299.371	MAAQVRHWDDVMQJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059135
O=C(c1ccnn1C1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_100381588	299.371	CXVXMAORSDJTMD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059136
O=C(c1ccnn1C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319139173	299.371	ZQEOFZYSFSANDS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059137
O=C(c1ccn(n1)C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_320159494,MCULE-7314352410	299.371	MDGDSFOEJHUZTC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059138
O=C(c1ccn(n1)C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319598661	299.371	JUGKQBSHPBUHDO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059139
O=C(c1cc(nn1C)C1CCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318606816	299.371	IFSHWSGAPPEWQN-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-059140
O=C(c1ccnn1CC1CCC1)NC1CC(n2c1ncc2)C	MCULE-8056252735,EMOLS-id_316398068	299.371	XIGMSGPMJNWRQQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059141
O=C(c1cn2c(n1)CCC2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_319587888	299.371	BKYYMJQTUVKHEQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059142
O=C(c1cnc2n1CCC2)N1CCC(CC1)Cc1ccn[nH]1	EMOLS-id_319160053	299.371	SNUARYYLHNEXER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059143
O=C(c1cnc2n1CCC2)Nc1ccn(n1)C1CCCCC1	EMOLS-id_318752388	299.371	XDEXMKGRFGOJRY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059144
O=C(c1cnc(nc1C)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318537145	299.371	AHDXIGAVAAEEQS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059145
O=C(c1cnc(nc1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318951979	299.371	GMVKICAOQGOSIN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059146
O=C(c1cnc(nc1C)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319119816	299.371	HIGMVGLAZTTZTA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059147
O=C(c1cnc(nc1C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319568824	299.371	LMMRTBIUXUZYCX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059148
O=C(c1cnn2c1CCC2)N1CCC(CC1)Cc1ccn[nH]1	EMOLS-id_320040200,MCULE-5396544842	299.371	LMZGLYOEAFLJPW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059149
O=C(c1cnn2c1CCC2)N1CCC(CC1)Cc1ncc[nH]1	EMOLS-id_102236885,MCULE-2051915740	299.371	XMDDZXIOZAIEIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059150
O=C(c1cnn2c1CCC2)N1CCC(CC1)Cn1cncc1	EMOLS-id_319474234	299.371	JJWVUJRKSSEUTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059151
O=C(c1cnn2c1CCC2)Nc1ccn(n1)C1CCCCC1	EMOLS-id_318419137	299.371	VBWRAWXSRGYJRM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059152
O=C(c1cnn2c1CCC2)Nc1cc(nn1C)C1CCCC1	EMOLS-id_318741375	299.371	YKQZOFOZNFPDCE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059153
O=C(c1cnn(c1)C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318527135	299.371	BJDYYYZVMLDHFQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059154
O=C(c1cnn(c1)C1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_318723004	299.371	RLYMTHSRNMNISH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059155
O=C(c1cnn(c1)C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319405070	299.371	KEITYEUAWLFFRR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059156
O=C(C1NCc2c1c[nH]n2)NCC(c1ccc(cn1)C)(C)C	MCULE-3175073455,EMOLS-id_320041468	299.371	PKNBDEPIHKQPNU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059157
O=C(C1NCc2c1c[nH]n2)N(CCN(c1ccccc1)C)C	EMOLS-id_320083787,MCULE-3401358427	299.371	LJTVHVVKSJULIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059158
O=C(c1n(C)nc2c1CCC2)NC1CC(C1)Cn1cncc1	EMOLS-id_319516817	299.371	OSWNBCUTXYBCSW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059159
O=C(c1n(C)ncc1C1CCC1)NCc1cnc2n1CCC2	EMOLS-id_319955563,MCULE-8903276208	299.371	LIKWTROXWYIMIN-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-059160
O=C(c1n(C)ncc1C1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319607915	299.371	BCGUXCDETQDDCA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-059161
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)Cn1cncc1	EMOLS-id_319780363	299.371	KMIAHIWBXTWQLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059162
O=C(c1nn2c(c1)CCC2)Nc1cnn(c1C)C1CCCC1	EMOLS-id_101289573	299.371	PXYWOCORLFEOQO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059163
O=C(c1n[nH]c2c1CCC2)N1CCCC1c1[nH]c(c(n1)C)C	MCULE-6305154169,EMOLS-id_320042414	299.371	QCADSDYSYKAYGG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059164
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)c1ccnn1C	EMOLS-id_316045857,MCULE-4994784918	299.371	UYIOPVBCACUOMT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059165
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)c1c[nH]nc1C	EMOLS-id_257888376,MCULE-3141525161	299.371	ASNYHSRBBLPYPI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059166
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)Cc1ccn[nH]1	EMOLS-id_319603208	299.371	OSOOCOQVAITKEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059167
O=C(c1n[nH]c2c1CCC2)N1CCCCC1Cn1cccn1	EMOLS-id_36953991,PC-id_56778908,MCULE-2019830485	299.371	BOMMPBNCTLFBKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059168
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)Cn1cncc1	EMOLS-id_319608371	299.371	ZVDDGXYHAHLQEH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059169
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)n1ccnc1C	PC-id_53605789,EMOLS-id_36689247,MCULE-1644646734	299.371	ZWHXUKRDCGUVPM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059170
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@H]1Cn1cccn1	PC-id_95602760	299.371	BOMMPBNCTLFBKG-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059171
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1Cn1cccn1	PC-id_95602761	299.371	BOMMPBNCTLFBKG-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059172
O=C(c1n[nH]c2c1CCC2)Nc1n[nH]c(c1)C1CCCCC1	EMOLS-id_100664696	299.371	LXPBMLQOQUMNGB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059173
O=C(C(c1ccc(cc1)C)N)NC(c1nnc2n1CCC2)C	MCULE-3027796865,PC-id_120669520,EMOLS-id_302760744	299.371	KOPNTDPEHDPYPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059174
O=C(C(c1ccccc1)(N)C)NC(c1nnc2n1CCC2)C	PC-id_120595072	299.371	NIENEIIPLUKKSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059175
O=C(C(Cc1ccccc1)N)NC(c1nnc2n1CCC2)C	PC-id_119841153,MCULE-1535184253	299.371	VLWWMVRXPVISTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059176
O=C([C@H](Cc1ccccc1)N)NC(c1nnc2n1CCC2)C	PC-id_119841161	299.371	VLWWMVRXPVISTJ-YUZLPWPTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059177
O=C(N1CCCC1c1[nH]c(c(n1)C)C)c1cc2n(n1)CCC2	EMOLS-id_318883962	299.371	BCVKVCRTESHKMP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059178
O=C(N1CCCC1c1[nH]c(c(n1)C)C)c1nc2n(c1)CCC2	EMOLS-id_319533364	299.371	WJFHPKQTEUVKKF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059179
O=C(N=c1cc(C2CCCCC2)[nH][nH]1)c1cnn2c1CCC2	EMOLS-id_101233465,MCULE-7152367041,ZINC22_333253634	299.371	DUQSQJLUOLHDJR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059180
O=C(NCc1n2CCCc2nn1)Nc1c(cc(cc1C)C)C	PC-id_60447383	299.371	WWQZVNFCEPJOKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059181
O=C(NCc1n2CCCc2nn1)Nc1ccc(C(C)C)cc1	PC-id_60446372	299.371	GWVKXCMCMJFPIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059182
O=C(NCc1n2CCCc2nn1)Nc1c(C(C)C)cccc1	PC-id_60446430	299.371	SLKSJDSDRXOHAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059183
O=C(NCc1n2CCCc2nn1)Nc1cc(C(C)C)ccc1	PC-id_60448940	299.371	JMLWGJKPHGRCND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059184
O=C(NC(c1nnc2n1CCC2)C)CC(c1ccccc1)N	EMOLS-id_302706940,MCULE-1238908080,PC-id_119952930	299.371	DPEUPMBCZFEGLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059185
O=C(NC(c1nnc2n1CCC2)C)CCc1ccccc1N	EMOLS-id_302759977,MCULE-4536475145,PC-id_120612243	299.371	MMXDCPJUJIGQMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059186
O=C(N(Cc1nnc2n1CCC2)C)Nc1ccc(c(c1)C)C	EMOLS-id_318405543	299.371	NZNZIHWFCMHACV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059187
O=C(N(Cc1nnc2n1CCC2)C)Nc1cccc(c1C)C	EMOLS-id_318620603	299.371	RYICBRBYBYBYTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059188
O=C(N(Cc1nnc2n1CCC2)C)Nc1c(C)cccc1C	EMOLS-id_318664113	299.371	UYXCWRWZKHNQOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059189
O=C(N(Cc1nnc2n1CCC2)C)NCc1ccccc1C	EMOLS-id_318460555	299.371	ASXMZPRKFAKUHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059190
CCc1nnc(s1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705256	299.373	RAZYIVXKCGCSRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059191
CCn1ncc(n1)S(=O)(=O)N1Cc2c(C1)nc(s2)C	EMOLS-id_319057184	299.373	ADSNVAKKYTVIOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059192
NCc1cn[nH]c1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053352	299.373	XMLCYUKSSGVVLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059193
s1c2CCCc2nc1NS(=O)(=O)c1cn(nc1N)C	PC-id_61508165	299.373	OPJMEJWZZCNYQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059194
S(=O)(=O)(Nc1sc2CCCc2n1)c1n(cnc1N)C	PC-id_64007567	299.373	XRHLGCNFNUVEIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059195
C1Cc2c(C1)[nH]nc2CNc1nc(nc(c1)C1CC(C1)N)N	PC-id_91768650,EMOLS-id_302068859	299.374	DMHAPOQOXFOWTH-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-059196
CC(c1nnc2n1CCC2)Nc1ncnc(c1)N1CCCC1	EMOLS-id_318051101,MCULE-1417945725	299.374	MZQKAVMUEXYENM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-059197
N(C1CC1)c1nc(nc(N(Cc2n[nH]c3c2CCC3)C)c1)N	PC-id_50961505	299.374	ZUVSYTJBKZJOET-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-059198
Nc1nc(NCc2n[nH]c3c2CCC3)cc([C@H]2C[C@@H](N)C2)n1	ZINC22_252527844,EMOLS-id_55627212,MCULE-1829202455	299.374	DMHAPOQOXFOWTH-DTORHVGOSA-N	00001010100000100001100010000000000000000000000000000000	25-01-059199
CC(c1nn2c(c1)CCC2)N[C@@H]1C[C@H](C1)c1ccccc1F	EMOLS-id_318789418,MCULE-9959412830	299.386	UGEQBKTYVLJLGQ-KAOCOCSGSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059200
CCCCCC(OC1Oc2c(C1)csc2)(OC(=O)N)C	PC-id_142672147	299.386	QFOZPVHPFGXOCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059201
COCCOCCc1nc2c(s1)CCC2C(=O)OCC	PC-id_102927094	299.386	JFGSHGCFXLFPAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059202
Fc1ccccc1C1(CCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_318197608,MCULE-9979788178	299.386	FCRUVAQSYYQCIH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059203
Fc1ccc(cc1)C1(CCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_318363446,MCULE-4418648396	299.386	CGIWIKBKQOAETA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059204
Fc1ccc(cc1)C1(CCC1)NC(c1nn2c(c1)CCC2)C	MCULE-5434031156,EMOLS-id_318306566	299.386	FZRWRWGDBXNFRC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059205
Fc1ccc(cc1)C1(CCCC1)CNC1CCn2c1ncc2	EMOLS-id_318133220,MCULE-4295967668	299.386	GPCIOUMXOXAMLB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059206
Fc1cccc(c1)C1CCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318372408,MCULE-9591981681	299.386	HWTONXXIIDZXFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059207
Fc1ccc(cc1)C1CCCC1NC1CC(n2c1ncc2)C	MCULE-6897792099,EMOLS-id_318015052	299.386	IXXIDRVWUROANL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059208
Fc1ccc(cc1)C1CCC(C1)NC1CC(n2c1ncc2)C	MCULE-7741465933,EMOLS-id_318320702	299.386	SHPREHZFDJXNSL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059209
Fc1ccc(cc1)C1CCC(C1)NCc1cnc2n1CCC2	MCULE-1683267605,EMOLS-id_318188547	299.386	XBSHZWTVLUVOJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059210
Fc1ccccc1C1CCC(C1)NCc1cnc2n1CCC2	MCULE-5444920385,EMOLS-id_318685394	299.386	FYDBANNEQJZDOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059211
Fc1ccc(cc1)C1(CCCC1)NCc1cnc2n1CCC2	MCULE-6707944774,EMOLS-id_318052539	299.386	BYYYAPIWLDUFGB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059212
Fc1cccc(c1)C1CCC(C1)NCc1cnc2n1CCC2	MCULE-7304780357,EMOLS-id_318175590	299.386	CKOZNKAMNGXUFI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059213
Fc1ccc(cc1)C1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_317997209,MCULE-8357677769	299.386	YWZVOSLVOXJLFA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-059214
Fc1ccc(cc1)C(C1CCCC1)NC1CCn2c1ncc2	MCULE-2259630390,EMOLS-id_318157139	299.386	LUFGRQBHSQGKMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059215
Fc1ccccc1C(C1CCCC1)NC1CCn2c1ncc2	MCULE-8191146306,EMOLS-id_318115231	299.386	AMCMKBDTEVJWCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059216
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_319858320,MCULE-8652728075	299.386	GBSFCENJWUGTQW-BVEJGKANSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059217
Fc1cccc(c1)[C@@H]1C[C@H](C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_319918802,MCULE-7314561128	299.386	MSKAERFGUFJYFQ-BVEJGKANSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059218
s1c2c(CCC2)c(OCC(O)CNC(C)C)c1C(=O)O	PC-id_3069889	299.386	KMTYABDECRVSOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059219
Cc1ccc(cc1)C(=S)c1ccc2n1CCC2C(=O)OC	PC-id_88779827,SCHEMBL11438534	299.387	WTUKSWCLJZUSPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059220
O=C1N(CCCc2ccccc2)C(=O)c2c1c(C)sc2C	SCHEMBL16604918,PC-id_117982903	299.387	XUYZHTNJXMRBSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059221
s1c2c(CCC2)c(c1N=Cc1c(cccc1)C)C(=O)OC	PC-id_23764282	299.387	XKGQPQBAPJTTHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059222
s1c2c(CCC2)c(c1N=Cc1cc(ccc1)C)C(=O)OC	PC-id_23797739	299.387	FQAWFVMVPZBWED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059223
s1c2CCCc2c(c1N=Cc1ccc(cc1)C)C(=O)OC	PC-id_24051388	299.387	KEPKGXIXHQLMOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059224
s1c2c(CCC2)c(c1N=Cc1ccccc1)C(=O)OCC	PC-id_24051022	299.387	ORJJSWHVEZUJQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059225
CC1CCCC1(O)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98036405	299.389	XZMMWWXRJSCNJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059226
CC1CCC(O1)CS(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319906040,MCULE-3550795312	299.389	ZCYZJTVZQMBFGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059227
CC1(CCOCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100225873	299.389	SWBFXFICYNTPEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059228
CC1CN(CC(O1)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100194756	299.389	JLCDOJFDIPHAFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059229
CC1OC(C(C1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101946168	299.389	AXRYZLDVOZNTGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059230
CC1OCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240936	299.389	MWLXVAFURYYRML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059231
CC1OCCC(C1)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319207322	299.389	MNROSRVAPVCYMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059232
CC1(O)CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100374762	299.389	JQIWWTMVTGACOW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-059233
CC(C1CCCCN1S(=O)(=O)c1cnc2n1CCC2)O	EMOLS-id_100216525	299.389	WQLZREAGNVBWBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059234
CC(C1CCCCO1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240972	299.389	BEVNUILNDWZRDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059235
CC(C1CCCOC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100218991	299.389	AEARBXBOOYFMAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059236
CCC1(CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100216531	299.389	LJSLKKCEWCVRAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059237
CC(C1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223686	299.389	IJCMQBRCEZROCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059238
CCC1COC(CN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100175882	299.389	UVCKDYNBYMLGAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059239
CCC1(C)OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101075830	299.389	VDOPHUPKTJCYPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059240
CCC1OC(C)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184709	299.389	ZASWPSNCLUEEQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059241
CCC1OCCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99718365	299.389	LYXZFQVPVVXEEK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-059242
CC(C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100224091	299.389	NLOPOWMDJSFROU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059243
CCC1(O)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231054	299.389	GIEADXURUVHTFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059244
CCCC1(COCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98573575	299.389	DQZNDCNCIOISCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059245
CCCC1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221604	299.389	MRWAAKLQXRSHNS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059246
CCCC(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C	ChEMBL-DNDi_CHEMBLF0541-0003,CoCoCo_4982146,PC-id_5124217	299.389	NDGGCQAOICSRPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059247
CC(CN(S(=O)(=O)c1cnc2n1CCC2)C1CC1)(O)C	EMOLS-id_100577749	299.389	MFTPMYCVIHRYRC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-059248
CC(C(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C)C	ChEMBL-DNDi_CHEMBLF0541-0005,PC-id_5124219,CoCoCo_2666469	299.389	WSCLZECRDKQDJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059249
C[C@@H]1CCO[C@@H]1CS(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319773035	299.389	IITMJOGHAUUBEG-HBIQZDMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059250
C[C@@H]1CCO[C@@H]1CS(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319125635	299.389	KGUXTAIFNTWRHT-ZWNOBZJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059251
C[C@@H]1CCO[C@@H]1CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319714107	299.389	JCCMLVVFUPLLDK-NOZJJQNGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059252
CCN(S(=O)(=O)c1cnc2n1CCC2)CC1CCCO1	EMOLS-id_100190631	299.389	VRJIUXPHCPGMIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059253
CCOCC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100235689	299.389	OCBIUZVPIRVXPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059254
CCO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101311276	299.389	VIJXCDYXATVWPE-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059255
CC(O[C@@H]1C[C@@H](C1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101796425	299.389	NUAIKEFURQGAFG-PHIMTYICSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059256
Cn1ncc2c1CN(C2)S(=O)(=O)CC1OCCC1(C)C	EMOLS-id_318837132	299.389	ABGFTMQCRRBQEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059257
CN(CCOCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_105922981	299.389	CAIAKPSRIWMUHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059258
CN(S(=O)(=O)c1cnc2n1CCC2)CC1CCCCO1	EMOLS-id_100203261	299.389	NBHIIIKWDNLJLW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059259
CN(S(=O)(=O)c1cnc2n1CCC2)CC1CCCOC1	EMOLS-id_100229821	299.389	UQGGINVPEAUSAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059260
CN(S(=O)(=O)c1cnc2n1CCC2)CC1(O)CCCC1	EMOLS-id_100209307	299.389	AWLYBEPJFYBCKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059261
COC1CC(C1(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100206679	299.389	NFFIEOVAEFRXDO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059262
COC1(CCC1)C(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101964873	299.389	SMWKCIGTPHQHIO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059263
COC1CCCC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100216486	299.389	USRVBGBTWUSNRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059264
COC1(CCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101316118	299.389	GQAKUDSUJZHNIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059265
COC1(C)CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100345350	299.389	UFPYEZUAAKSJJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059266
COC1CCN(C(C1)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97687148	299.389	LQYZZMYFTHKTMJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059267
COC(C1CCCC1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316457039,MCULE-9162060546	299.389	GFXLVOVMPUWSEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059268
COCC1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101312869	299.389	WZSKCTBARKRXMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059269
COC[C@@]1(C[C@@H]1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319021060	299.389	LCAHERJOZPYMQL-HHISKICNSA-N	00100010100000000001000010000000000000000000000000000000	25-01-059270
COCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100205368	299.389	YDBOQYIBNCZEFY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059271
COCCN(CCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288607	299.389	QUQLURCWSXOZDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059272
OC1CCCC1CN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100233862	299.389	SQWTXAXFPFKNTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059273
OC1(CCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176299	299.389	GVTHQXKZJUARQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059274
O=C1C[C@H](NS(=O)(=O)c2cccs2)c2ccsc12	ZINC22_1386529,PC-id_1474705	299.389	PKNGPOXVGYWLLK-QMMMGPOBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-059275
O=C1C[C@@H](NS(=O)(=O)c2cccs2)c2ccsc12	ZINC22_8782196,PC-id_6558132	299.389	PKNGPOXVGYWLLK-MRVPVSSYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-059276
OC1CCN(CC1(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101179408	299.389	MACNGPAVSKQJHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059277
O=C1CC(NS(=O)(=O)c2cccs2)c2ccsc12	EMOLS-id_42973417,PC-id_3694862	299.389	PKNGPOXVGYWLLK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-059278
OCC1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100215628	299.389	BXVGKFTWPMFUMJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059279
OCC(C1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99526254	299.389	ZZSIPXMNDWXNCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059280
O=C(C(C(C)(C)C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466268	299.389	SSEKJBGSFVBNNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059281
OCCCSc1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_118614475,SCHEMBL17380750	299.389	BYRNPFQKDBNOCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059282
O[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101329911	299.389	AYRAOMOLTLFJQR-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-059283
O=S(=O)(c1cnc2n1CCC2)NCCC1CCCCO1	EMOLS-id_100207078	299.389	CVLUPMZMIQHMOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059284
O=S(=O)(CC1CCCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_318848111	299.389	BUFPXKOETDNEOX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059285
O=S(=O)(CC1CCCOC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319457155	299.389	SBRDOSSIKMCCTF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059286
O=S(=O)(N1Cc2c(C1)cn[nH]2)CCOCC1CCCC1	EMOLS-id_316669221	299.389	DBKRTGFCFRDBCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059287
c1(NC(=O)C=Cc2ccc(cc2)C)n(C)nc2CSCc12	MCULE-2139095032	299.391	UEVUCTJAEZRSSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059288
Cc1ccccc1/C=c/1sc2nc(nn2c1=O)C(C)(C)C	EMOLS-id_324851426	299.391	JGWZBCZONDQZQH-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059289
Cc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324852960	299.391	QKMCQGCLZSHAOU-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059290
Cc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1	EMOLS-id_324850402	299.391	HXDVUPINUYIUMG-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059291
Cc1ccc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc1	EMOLS-id_334562745	299.391	UEVUCTJAEZRSSC-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059292
Cc1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324837868	299.391	WRRALECMASYEHF-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-059293
CCc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1	EMOLS-id_324848359	299.391	PFXOZPVYAKRYSL-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-059294
CCc1nc2s/c(=Cc3ccc(cc3)C(C)C)/c(=O)n2n1	EMOLS-id_324844772	299.391	PAYXLEWIIOQSKE-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-059295
CCCc1nc2s/c(=Cc3ccc(CC)cc3)/c(=O)n2n1	EMOLS-id_324842222	299.391	XYZVJPMNPNYTQG-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059296
CC(C)Cc1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324857582	299.391	DRSWFNFSUQVVLH-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-059297
CC(C)Cc1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324855021	299.391	WGJCIPBUGXIQRC-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-059298
CC(C)Cc1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324856558	299.391	ZOMYJKNUPVFNOU-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-059299
CCC(CC)c1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324850410	299.391	QJDZWEGGOXEPPB-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059300
n12c(=O)c(=Cc3ccc(cc3)CC)sc1nc(C(C)C)n2	MCULE-7152637035	299.391	PFXOZPVYAKRYSL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059301
n12c(=O)c(=Cc3ccccc3C)sc1nc(C(C)(C)C)n2	MCULE-2805301056	299.391	JGWZBCZONDQZQH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059302
n12c(=O)c(=Cc3ccccc3)sc1nc(C(CC)CC)n2	MCULE-6728396892	299.391	QJDZWEGGOXEPPB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059303
n12c(=O)c(=Cc3cccc(C)c3)sc1nc(C(C)(C)C)n2	MCULE-3413820728	299.391	HXDVUPINUYIUMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059304
n12c(=O)c(=Cc3ccc(C)cc3)sc1nc(C(C)(C)C)n2	MCULE-8226437455	299.391	QKMCQGCLZSHAOU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059305
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CC(C)C	MCULE-2555178934	299.391	DRSWFNFSUQVVLH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059306
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C	MCULE-4425322832	299.391	WRRALECMASYEHF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059307
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)CC(C)C	MCULE-1702273673	299.391	WGJCIPBUGXIQRC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059308
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CC(C)C	MCULE-4030521877	299.391	ZOMYJKNUPVFNOU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059309
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)CCC	MCULE-5579200397	299.391	XYZVJPMNPNYTQG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059310
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)CC	MCULE-6631291800	299.391	PAYXLEWIIOQSKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059311
Nc1ccc(cc1)C1(CC1)C(=O)Nc1sc2c(n1)CCC2	PC-id_115913571	299.391	ZBJPHIWQTNCACM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059312
N#Cc1c(NC(=O)c2ccn(c2CC)C)sc2c1CCC2	EMOLS-id_318473945	299.391	FONWXNUSYWBHRM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059313
O=C1C(CCN1c1ccccc1)Sc1[nH]c2c(n1)CCC2	EMOLS-id_318451123	299.391	BMUPLGQPMZOXJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059314
O=C(c1n[nH]c2c1CCC2)N1CC=C(c2cccs2)CC1	PC-id_97214536,MCULE-9510934582,ZINC22_95398321,EMOLS-id_48236696	299.391	HZKWLIHPAYNAOC-UHFFFAOYSA-N	00000010100111000001100010000000000000000000000000000000	25-01-059315
O=C(c1sc2c(c1)CCC2)N1CCC(C1)c1nccnc1	EMOLS-id_319240175	299.391	BSSHVHRHSFGJOL-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-059316
O=C(c1sc2c(c1)CCC2)Nc1ccnc(n1)C1(C)CC1	EMOLS-id_318692632	299.391	ASQMGANSDDCTRO-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-059317
O=C(c1sc2c(c1)CCC2)NC1CN(C1)c1ccccn1	EMOLS-id_319804974	299.391	HGRHPGPESUTNRC-UHFFFAOYSA-N	00001010100000101000100010000000000000000000000000000000	25-01-059318
s1c2CCCc2cc1C(=O)NN=C(c1ccc(N)cc1)C	PC-id_78630785	299.391	KFMXAQWPCQRNQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059319
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(N)cc1)/C	PC-id_8196841	299.391	KFMXAQWPCQRNQP-ZDLGFXPLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059320
s1c2CCCc2cc1C(=O)NN=C(c1cc(N)ccc1)C	PC-id_84965643	299.391	HLJAFTINLGWBOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059321
s1c2CCCc2cc1C(=O)N/N=C(c1cc(N)ccc1)/C	PC-id_9259138	299.391	HLJAFTINLGWBOH-ZDLGFXPLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059322
c1(CN2CCCC(C2)NS(=O)(=O)C)nnc2CCCn12	MCULE-2745612773,EMOLS-id_337734084	299.392	NDWCHFLZMKZJBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059323
CC1CCN(C1)S(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_98961148	299.392	CVDWGFMTQHYWJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059324
CC(c1nnc2n1CCC2)NS(=O)(=O)N1CCCCC1	EMOLS-id_98765445	299.392	YMCSYKMLKWPPEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059325
CC(c1nnc2n1CCC2)NS(=O)(=O)N(CC1CC1)C	EMOLS-id_99461484	299.392	KNSQEOMXYHRHHH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-059326
O=S(=O)(c1cnc2n1CCC2)NCCN1CCNCC1	MCULE-5428004878,PC-id_120874595,EMOLS-id_302850975	299.392	LBAMZZQZNFMXIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059327
S=c1snc2n1CCN2S(=O)(=O)c1ccccc1	PC-id_24202753,NSC725859	299.392	KTEFOIJXOLTNFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059328
Cc1ccc(c2nccn2C[C@H]2Cc3nnc(C)n3C2)s1	ZINC22_1875246111	299.394	YYWMIJZUOYBSBX-GFCCVEGCSA-N	00000010100100000001100010000000000000000000000000000000	25-01-059329
Cc1ccc(c2nccn2C[C@@H]2Cc3nnc(C)n3C2)s1	ZINC22_1875246113	299.394	YYWMIJZUOYBSBX-LBPRGKRZSA-N	00000010100100000001100010000000000000000000000000000000	25-01-059330
Cc1ccc(s1)c1nccn1CC1Cc2nnc(C)n2C1	EMOLS-id_331140640,MCULE-4794823609	299.394	YYWMIJZUOYBSBX-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-059331
Cn1nc(c2c1CN(C2)Cc1cscc1)Cn1cncc1	PC-id_97519198	299.394	UBMZBEWUDBWRCI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-059332
Cn1nc(Cn2cccn2)c2c1CN(Cc1ccsc1)C2	EMOLS-id_44369784,PC-id_97519206,ZINC22_96259117	299.394	XMLMKEMZZUZJEF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-059333
N#Cc1c(C)cc(nc1NCCc1nc2n(c1)CCS2)C	EMOLS-id_317960130,MCULE-8387366770	299.394	UNZLGFUVMAYUNZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059334
N#Cc1c(NCCc2sc3c(n2)CCC3)nnc(c1C)C	EMOLS-id_318752306,MCULE-8562869082	299.394	HBQVWNOXOUJHOB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059335
s1c2CCCc2nc1Nc1nnc(c(c1C#N)CC)CC	PC-id_80504529	299.394	MAJYOXYWDJCDAO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059336
CC([Si](OCC1Oc2n(C1)cc(n2)[N+](=O)[O-])(C)C)(C)C	SCHEMBL1227391,PC-id_66955722	299.398	NBCFZNFUXADNBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059337
c1(C(N)c2ccc(cc2)OCC(C)C)c2CCCc2oc1C	PC-id_83610150,MCULE-1652834995	299.407	FLZJBDREIZNHGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059338
c1(C(N)c2cc(C)ccc2OC)c2CCCc2oc1C(C)C	MCULE-5800051718,PC-id_83610307	299.407	UAWWYFBXMCTFQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059339
o1c2c(c(c1C(C)C)C(N)c1cc(c(OC)cc1)C)CCC2	PC-id_83610306	299.407	DILSWZVBIRNOFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059340
o1c2c(CCC2)c(c1CCC)C(N)c1cc(c(OC)cc1)C	PC-id_83610378	299.407	NVQYEUPJVRZBFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059341
o1c2c(CCC2)c(c1C(C)C)C(N)c1ccc(OCC)cc1	PC-id_83610305	299.407	RSBAZVMCYDOJRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059342
o1c2c(CCC2)c(c1CCC)C(N)c1ccc(OCC)cc1	PC-id_83610377	299.407	KQLHBOWSLJIRSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059343
o1c2c(CCC2)c(c1CCC)C(N)c1c(OC)ccc(c1)C	PC-id_83610379	299.407	XWHKLGMGHRXRTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059344
o1c2c(CCC2)c(C(N)c2ccc(C(C)C)cc2)c1COC	PC-id_83610071	299.407	BPARTVNZTYTAAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059345
o1c2c(CCC2)c(C(N)c2ccc(OCCC)cc2)c1CC	PC-id_83610228	299.407	JYQRQAJLZSIZNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059346
o1c(c(c2c1CCC2)C(N)c1ccc(OC)cc1)C(C)(C)C	PC-id_83610517	299.407	DLVOCDXELHYHIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059347
C[C@@]1(NC(=O)c2cc3c(s2)CCC3)CCS(=O)(=O)C1	ZINC22_24448019	299.409	QSSRAFSFJSRVLW-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059348
C[C@]1(NC(=O)c2cc3c(s2)CCC3)CCS(=O)(=O)C1	ZINC22_24448022	299.409	QSSRAFSFJSRVLW-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059349
CCC1(CC1)S(=O)(=O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_112081133	299.409	HGQYBVYTWYCJJM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-059350
O=C(c1sc2c(c1)CCC2)N1CCCS(=O)(=O)CC1	EMOLS-id_102662143	299.409	DQGPESDLAREDJJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-059351
O=C(c1sc2c(c1)CCC2)NC1CCCS(=O)(=O)C1	EMOLS-id_99206380	299.409	MLZCHEOBSKOJIL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-059352
O=C(c1sc2c(c1)CCC2)NC1(C)CCS(=O)(=O)C1	MCULE-8340865837,PC-id_51072829,EMOLS-id_31844999	299.409	QSSRAFSFJSRVLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059353
O=C(c1sc2c(c1)CCC2)NCC1CCCS1(=O)=O	EMOLS-id_100442121	299.409	XFWCYFDSTNAPIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059354
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)CC1CCC1	EMOLS-id_110598190	299.409	TXNRZYGLFMRDTJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-059355
O=C(N([C@H]1CCS(=O)(=O)C1)C)c1sc2c(c1)CCC2	GD-id_ZINC29959198	299.409	KCFNEUULHWQBLJ-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-059356
s1c2CCCc2cc1C(=O)NC(CCSC)C(=O)O	PC-id_20113905	299.409	GBYHJYTXYJHQEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059357
s1c2CCCc2cc1C(=O)N[C@@H](CCSC)C(=O)O	PC-id_28117285	299.409	GBYHJYTXYJHQEN-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-059358
s1c2c(CCC2)cc1N(C(CCSC)C(=O)O)C=O	PC-id_20848157	299.409	XFSBPOAKSIQOAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059359
s1c2c(CCC2)c(c1NC(=O)CSC(C)C)C(=O)O	PC-id_43359889	299.409	SFELFBQNAABXIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059360
S1(=O)(=O)CC(N(C(=O)c2sc3c(CCC3)c2)C)CC1	PC-id_47119964	299.409	KCFNEUULHWQBLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059361
c1(C(=O)NCCC2=CC[C@@H]3C(C)(C)[C@H]2C3)c2CCCc2[nH]n1	ZINC22_244659826,MCULE-3132467501,EMOLS-id_55629420	299.411	HJMAJRCFFYDHQZ-JSGCOSHPSA-N	00001010100011000001001010000000000000000000000000000000	25-01-059362
CC1(C2CC=C(C1C2)CCNC(=O)c1n[nH]c2c1CCC2)C	PC-id_91832321	299.411	HJMAJRCFFYDHQZ-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-059363
CC1CC(c2n1ccn2)NCc1ccc(cc1)OC(C)(C)C	MCULE-4048301006,EMOLS-id_318117009	299.411	RJSURFFKVRVSHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059364
Cc1ccc(c(c1)OC(C)(C)C)CNC1CCn2c1ncc2	EMOLS-id_318090043,MCULE-8665853464	299.411	SRDUGNDJEXUYQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059365
CC(c1ccc(cc1)C(O)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_279086660	299.411	VFUYTKZTKFHUPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059366
C/C=C
/C(n2cncc2/C1=C/C=C)CC(C1CCCNC1)O	SCHEMBL20386128,PC-id_135228579	299.411	YLSPVFHDFRKGGR-XIVZREKLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059367
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1N	MCULE-4658776539,EMOLS-id_331013290	299.411	VUEMIJVBLJLQTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059368
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1N	MCULE-7802636294,EMOLS-id_331013802	299.411	PQUKMLSMTZOJOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059369
CCCOc1ccc(Cn2nc3CCC(C)c3c2CN)cc1	EMOLS-id_330997176,MCULE-7733132239	299.411	INNYSDABFBOSBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059370
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2CN)cc1	EMOLS-id_330997432,MCULE-3605604280	299.411	HBBFRGIVLFXWSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059371
CC(C)Oc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1	EMOLS-id_331011582,MCULE-4868416127	299.411	WONYCGDOMBSSES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059372
CCCOc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1	MCULE-4561988385,EMOLS-id_331011326	299.411	JJHJJCIMEYEPNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059373
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CN	MCULE-8578565213,EMOLS-id_331000496	299.411	XFBPBMIYOOIKOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059374
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1CN	MCULE-9845130206,EMOLS-id_331001778	299.411	HWVXPUPBXYZYJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059375
CC(Oc1ccccc1C)CNC(c1cc2n(n1)CCC2)C	EMOLS-id_318370885	299.411	ILQLVMSIDORDNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059376
CCOc1ccc(Cn2nc3CCC(C)c3c2CN)cc1C	MCULE-8754289294,EMOLS-id_330993849	299.411	DTVUJSMBORYMAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059377
CCOc1ccc(Cn2nc3CCC(C)c3c2CN)c(C)c1	EMOLS-id_330995896,MCULE-8984299953	299.411	GESGXYJTPLALTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059378
CCOc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1C	MCULE-3538823687,EMOLS-id_331012094	299.411	SKDFXXQHEXCACZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059379
CCOc1ccc(Cn2nc(CN)c3C(C)CCc23)c(C)c1	MCULE-3082557850,EMOLS-id_331014141	299.411	HFRKGADZGZSMSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059380
CC(OCc1ccccc1CNC1CC(n2c1ncc2)C)C	EMOLS-id_318364723	299.411	SOWKAEGMQADQCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059381
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1CN	MCULE-8949757935,EMOLS-id_330998960	299.411	OBESRUUSQDKPGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059382
COc1ccccc1C(NC1CCn2c1ncc2)CC(C)C	EMOLS-id_318114463	299.411	LSIZPMLUHKKXIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059383
COc1ccc(cc1NCc1cnc2n1CCC2)C(C)(C)C	EMOLS-id_318175967,MCULE-4202655878	299.411	VVBXFBMILKITQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059384
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1N	MCULE-6339924076,EMOLS-id_331012526	299.411	IRFWPBDBIJSHJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059385
COc1cc(C)c(Cn2nc3CCC(C)c3c2CN)cc1C	MCULE-3243136246,EMOLS-id_330996920	299.411	GKLOFRPZTJWWQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059386
COc1c(C)cc(Cn2nc3CCC(C)c3c2CN)cc1C	MCULE-9871161044,EMOLS-id_330997688	299.411	RLYXPMZYHIHECA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059387
COc1ccc(C(C)n2nc3CCC(C)c3c2CN)c(C)c1	EMOLS-id_330999216,MCULE-6184747644	299.411	BAQIVLIIZKVSMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059388
COc1cc(C)c(Cn2nc(CN)c3C(C)CCc23)cc1C	MCULE-1199910955,EMOLS-id_331011070	299.411	YODOAMVHIPLGKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059389
COc1c(C)cc(Cn2nc(CN)c3C(C)CCc23)cc1C	MCULE-7124328339,EMOLS-id_331011838	299.411	AYGYICUASWSPRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059390
COc1ccc(Cn2nc3CCC(C)c3c2CN)c(C)c1C	MCULE-6472416638,EMOLS-id_330996664	299.411	KTWCQEQMAXWEAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059391
COc1ccc(Cn2nc(CN)c3C(C)CCc23)c(C)c1C	MCULE-3616240585,EMOLS-id_331010814	299.411	TUIQBFDLDBWHNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059392
OC(C1CCCCC1)CC1C(=C(c2n1cnc2)/C=CN=C)C	SCHEMBL19386563	299.411	HEDPPHOIAPNIGS-HJWRWDBZSA-N	00000011100010000001000010000000000000000000000000000000	25-01-059393
OC(C(c1ccccc1)C)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318401540	299.411	PWDIECVYMIYJEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059394
c1(CN2CCCCC2CCn2ccnc2)c2CCCc2[nH]n1	PC-id_45225781,EMOLS-id_23824984,MCULE-6660215344	299.414	HLAANPUVHKRVHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059395
c1(CN(Cc2c3CCCc3[nH]n2)C2CC2)c(C)nn(C)c1C	EMOLS-id_232733940,MCULE-6196623851,CoCoCo_1316526,CoCoCo_1316523,CoCoCo_1316524,ZINC22_20908417,CoCoCo_1316525,PC-id_29211428	299.414	HQPNYOHAVXOQFF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-059396
c1cn(CC[C@H]2CCCCN2Cc2n[nH]c3c2CCC3)cn1	CoCoCo_1476492,CoCoCo_1476496,CoCoCo_1476498,ZINC22_19792495,CoCoCo_1476494,PC-id_92640723	299.414	HLAANPUVHKRVHS-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059397
c1cn(CC[C@@H]2CCCCN2Cc2n[nH]c3c2CCC3)cn1	CoCoCo_1476493,ZINC22_19792496,CoCoCo_1476497,CoCoCo_1476495,PC-id_92640724,CoCoCo_1476491	299.414	HLAANPUVHKRVHS-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059398
c1(NC(=S)Nc2ccccc2)sc2c(CCC2)c1C#N	TIMTEC81648,MCULE-4711238689,Chemmine_61318,ZINC22_46416,EMOLS-id_936546,CoCoCo_1701423,CK1699449,PC-id_681325	299.414	BORSQZNVYIUESU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059399
Cc1[nH]c(nc1C)C1CCN(CC1)Cc1cc2n(n1)CCC2	EMOLS-id_318485468	299.414	NFNSTZCRSYEMNN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059400
CC(c1ccccc1N(C)C)NCCc1nnc2n1CCC2	MCULE-3274301007,PC-id_86814439,EMOLS-id_49918548	299.414	OPYCJVGNKCFLTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059401
CC(c1nn2c(c1)CCC2)Nc1cnn(c1C)C1CCCC1	EMOLS-id_318105658,MCULE-3626813441	299.414	MAXCBYUVYFEBLG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059402
CC(C(Nc1ccccc1)CNC1CC(n2c1ncn2)C)C	EMOLS-id_279082884	299.414	JWRCUSFTYDWGES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059403
C[C@H](NCCc1nnc2n1CCC2)c1ccccc1N(C)C	PC-id_97160736,ZINC22_93942058	299.414	OPYCJVGNKCFLTI-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059404
C[C@@H](NCCc1nnc2n1CCC2)c1ccccc1N(C)C	PC-id_97160737,ZINC22_93942059	299.414	OPYCJVGNKCFLTI-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059405
Cn1nc(cc1NCc1cnc2n1CCC2)C1CCCCC1	EMOLS-id_318132909,MCULE-2823540757	299.414	MQEZBPCABGLOFL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059406
COCC(OCC(CNCc1sc2c(c1)CCC2)O)C	PC-id_106989560	299.429	WDBXEGPGIWTOTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059407
COCCOCCOCCNCc1sc2c(c1)CCC2	PC-id_104561888	299.429	DGKXMSFSFJBFJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059408
s1c2c(CCC2)cc1CNCC(O)COCCOCC	PC-id_61207418	299.429	HNBQJYBTHDBITK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059409
CNC(c1sc2c(c1)CCC2)c1ccc(cc1)OC1CC1	PC-id_105051334	299.43	FYSRVEIWQZPUHD-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-059410
CNC(c1sc2c(c1)CCC2)c1cccc(c1)OC1CC1	PC-id_105051647	299.43	ADVRXVBWSCEJLL-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-059411
O=C(c1sc2c(c1)CCC2)Nc1c(C)cccc1C(C)C	PC-id_112789049	299.43	XPVPQKUIONZGGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059412
s1c2CCCc2cc1CNCc1ccc(OCC=C)cc1	PC-id_61207584	299.43	CZZVVZOMWCDVBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059413
s1c2CCCc2cc1CNCc1c(OCC=C)cccc1	PC-id_61206656	299.43	RFGUKSCNJXUJMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059414
s1c2CCCc2cc1C(=O)N(Cc1c(cc(cc1)C)C)C	PC-id_9227991	299.43	ABACOWGGXMGCDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059415
s1c2c(CCC2)c(c1N)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_28337438	299.43	MGUPQOXFDXYJDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059416
CC(C(CS(=O)(=O)NC1CC(n2c1ncc2)C)(C)C)C	EMOLS-id_319316394	299.432	FRLSTLGYHROUFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059417
c1ccc(cc1)C1CNCCN1Cc1sc2c(n1)CCC2	MCULE-1845218520,EMOLS-id_318055592	299.434	RNFAOTLXICUWDE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-059418
c1ccc(cc1)NC1CCN(C1)Cc1sc2c(n1)CCC2	EMOLS-id_318459730,MCULE-8964113871	299.434	LXNMDQSVPRPMSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059419
C1CCN(C1)c1ccc(cn1)CNC1CCc2c1scc2	MCULE-9665322027,EMOLS-id_318390947	299.434	ZRKWSLSNHZESHF-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-059420
C1CCN(C1)c1ncccc1CNC1CCc2c1scc2	EMOLS-id_318604041,MCULE-2882043014	299.434	ULJMENFZDABWOH-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-059421
C1CCN(C1)c1nccc(c1)CNC1CCc2c1scc2	MCULE-9372905531,EMOLS-id_318576419	299.434	FAFOYWFTVIJREF-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-059422
N[C@@H]1CN(C[C@H]1c1ccccc1)Cc1sc2c(n1)CCC2	EMOLS-id_318534130	299.434	KIOBIXLSDFBHQS-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059423
CCOC(=O)C1CCc2c1nc(s2)CSC(CC)C	PC-id_104287154	299.452	VRIVDRPWPDCKHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059424
CCOC(=O)C1CCc2c1nc(s2)CSC(C)(C)C	PC-id_104287216	299.452	YOQKKPOSGYLADN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059425
CCOC(=O)C1CCc2c1nc(s2)CSCC(C)C	PC-id_113395601	299.452	XTCQOUVRCZUXIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059426
S(=O)(=O)(C1C(NCc2sc3c(CCC3)c2)CCC1)C	PC-id_65045479	299.452	RXQJKWGPJUUMAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059427
CCCNC(c1cccc(c1C)C)c1sc2c(c1)CCC2	PC-id_115850348	299.473	ZVHGZSVMJOEAKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059428
CCCNC(c1sc2c(c1)CCC2)c1cccc(c1)CC	PC-id_105018575	299.473	UEZNBDBPZKJTIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059429
CCCNC(c1sc2c(c1)CCC2)c1cc(C)cc(c1)C	PC-id_115796698	299.473	LWIZUQJNCXHGTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059430
CCCNC(c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_115793814	299.473	IETUARUVNUABIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059431
CCNC(c1sc2c(c1)CCC2)Cc1c(C)cccc1C	PC-id_105024740	299.473	IXBLUXYYUDGMPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059432
CCNC(c1sc2c(c1)CCC2)Cc1cc(C)cc(c1)C	PC-id_115800785	299.473	MPZGTXIIAXNLGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059433
CCNC(c1sc2c(c1)CCC2)CCCc1ccccc1	PC-id_115849649	299.473	AFOGEOQVXHILSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059434
s1c2c(CCC2)cc1C(N)c1c(c(c(c(c1C)C)C)C)C	PC-id_43464371	299.473	HNHXYLVABWEYHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059435
s1c2c(CCC2)cc1C(N)c1ccc(C(CC)(C)C)cc1	PC-id_66259167	299.473	SXURICPBCAMIRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059436
s1c2c(CCC2)cc1C(NC)c1c(c(cc(c1C)C)C)C	PC-id_43483967	299.473	OROSHRRNHLXPIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059437
s1c2c(CCC2)cc1CNC(c1c(cc(c(c1)C)C)C)C	PC-id_63452282	299.473	PAEYPMHBISXDHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059438
s1c2c(CCC2)cc1CNC(c1c(cc(cc1C)C)C)C	PC-id_63452325	299.473	HFKGTDDFBDMISF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059439
s1c2c(CCC2)cc1C(NC)c1c(CC)ccc(c1)CC	PC-id_64167527	299.473	IBZSZCSHFSRAIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059440
s1c2c(CCC2)cc1CNC(c1ccc(C(C)C)cc1)C	PC-id_63452625	299.473	HHEVFWLCOSDEKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059441
s1c2c(CCC2)cc1C(NC)c1ccc(CC(C)C)cc1	PC-id_43480508	299.473	ZCVQSCYIVHDDME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059442
s1c2c(CCC2)cc1C(NC)c1ccc(C(CC)C)cc1	PC-id_43483024	299.473	PTGFSQNBTUZCBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059443
s1c2c(CCC2)cc1C(NC)c1ccc(C(C)(C)C)cc1	PC-id_43484391	299.473	CGBZRYBSNZWVOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059444
s1c2CCCc2cc1CNCc1ccc(C(C)(C)C)cc1	PC-id_63452670	299.473	RSBGMGMUXXHBRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059445
s1c2c(CCC2)cc1C(NCC)c1c(cc(cc1C)C)C	PC-id_43491093	299.473	ORWFJLHOJJKSRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059446
s1c2c(CCC2)cc1C(NCC)c1ccc(cc1)CCC	PC-id_43491563	299.473	GLRNYQMDQZWYMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059447
s1c2c(CCC2)cc1C(NCC)c1ccc(C(C)C)cc1	PC-id_43625462	299.473	TUFXBZSFKYQUQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059448
s1c2c(CCC2)cc1C(NCCC)c1cc(c(cc1)C)C	PC-id_43493952	299.473	JWBZCHLTZBGIQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059449
s1c2c(CCC2)cc1C(NCCC)c1c(cc(cc1)C)C	PC-id_43495481	299.473	COJNUTHANZDGHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059450
s1c2c(CCC2)cc1C(NCCC)c1c(ccc(c1)C)C	PC-id_43496088	299.473	WULWPWMZWGKAHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059451
s1c2c(CCC2)cc1C(NCCC)c1ccc(cc1)CC	PC-id_43496544	299.473	NRCIJEXNIMJWFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059452
s1c2c(CCC2)cc1CNC(CC)c1ccc(cc1)CC	PC-id_63452238	299.473	WZSNNBDWKHJDCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059453
s1c2c(CCC2)cc1C(NCC)Cc1cc(c(cc1)C)C	PC-id_63526598	299.473	SXLOKRCXENNWRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059454
s1c2c(CCC2)cc1C(NCC)Cc1c(ccc(c1)C)C	PC-id_63527455	299.473	PTUAWCRSRXJVII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059455
CC(C(c1ccccc1)CNCc1sc2c(c1)CCC2)C	PC-id_107876052	299.474	MTKBVSDKAHZKFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059456
CCNC(c1cc(C)c(cc1C)C)c1sc2c(c1)CCC2	PC-id_104990695	299.474	LJNZGDLTOJTNNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059457
CCNC(c1sc2c(c1)CCC2)c1cccc(c1)CCC	PC-id_105050554	299.474	OIPOIXMUCZPTMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059458
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)CC	PC-id_115803851	299.474	JATKLINUDAWBTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059459
CNC(c1sc2c(c1)CCC2)c1cccc(c1)CC(C)C	PC-id_105050605	299.474	ZKEWVAHFPUHOTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059460
CNC(c1sc2c(c1)CCC2)c1ccc(c(c1)CC)CC	PC-id_115482269	299.474	OATYNMLJTMDMTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059461
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)C(C)C	PC-id_115844099	299.474	SLHQNUPHUQDTIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059462
CNC(c1sc2c(c1)CCC2)Cc1c(C)cc(cc1C)C	PC-id_115828551	299.474	DRFHEXWYJDZDQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059463
NC(c1sc2c(c1)CCC2)Cc1ccc(cc1)C(C)(C)C	PC-id_115842807	299.474	OJQWTSUTODXRPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059464
s1c2c(CCC2)cc1CNC(c1ccc(CCC)cc1)C	PC-id_63452368	299.474	DWYIZDFTMWEMBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059465
s1c2c(CCC2)cc1C(NC)c1ccc(CCCC)cc1	PC-id_43484296	299.474	OIIBPLDWHPJLIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059466
s1c2CCCc2cc1CNCc1ccc(CC(C)C)cc1	PC-id_80238174	299.474	MDKAZKFICQAFSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059467
s1c2c(CCC2)cc1CNC(CCc1cc(ccc1)C)C	PC-id_63452623	299.474	BSGYWZSHAXQYTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059468
s1c2c(CCC2)cc1C(NCCC)Cc1ccc(cc1)C	PC-id_63527767	299.474	CVZVDCFFNLJYRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059469
s1c2c(CCC2)cc1C(NCCC)Cc1c(cccc1)C	PC-id_63528628	299.474	RJNPRDAOROQCOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059470
s1c2c(CCC2)cc1C(NCCC)Cc1cc(ccc1)C	PC-id_63528828	299.474	QZXSGHUPZPFVLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059471
s1c2c(CCC2)cc1CNC(CC(C)C)c1ccccc1	PC-id_63452367	299.474	BZCJDIILXRISEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059472
s1c2c(CCC2)cc1CNC(CCCC)c1ccccc1	PC-id_63452754	299.474	MNFLBZWZDVEKSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059473
CCCCCCCCN1Cc2c(S1=O)c(sc2C)C	SCHEMBL18325068	299.495	ZMFRBGFWCKFOGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059474
FC(Oc1cc(Cl)ccc1NC1CCn2c1ncc2)F	MCULE-9641777672,EMOLS-id_318623074	299.704	RWQMFRFBLBPPHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059476
Clc1sc2c(C(NCCOCC(F)(F)F)CC2)c1	PC-id_81251321,EMOLS-id_315606399	299.74	WJDYQJARKVAFQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059477
C1CCN(C(C1)CCO)C(=O)c1nn2CCOc2c1Cl	PC-id_91960052	299.753	JPUAHIBADQVRPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059478
Clc1cc2c(s1)CCC2Nc1cc(F)c(cc1F)C	PC-id_103584872	299.767	DIWDMMMFSMUDCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059479
Clc1cc(F)c(cc1C(c1sc2c(c1)CCC2)N)F	PC-id_107475980	299.767	MUOJLAJDDABGIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059480
Clc1sc2CCC(Nc3c(F)c(ccc3F)C)c2c1	PC-id_82819086	299.767	XRRATJWZDXRHEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059481
Clc1sc2c(C(NCc3cc(F)c(F)cc3)CC2)c1	PC-id_81252802	299.767	XLDZGVPJGQGPBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059482
Clc1sc2c(C(NCc3c(F)ccc(F)c3)CC2)c1	PC-id_81252602	299.767	QITVHIBLDXSNPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059483
Clc1sc2c(C(NCc3c(F)cc(F)cc3)CC2)c1	PC-id_81252598	299.767	QXIWGVDKODPEHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059484
N#Cc1cc(ccc1C#N)NC1CCc2c1cc(s2)Cl	PC-id_107788319	299.778	MBLYZVLXPUMDEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059485
c12CN(Cc1nn(C(C)(C)C)c2Cl)C(=O)OC(C)(C)C	EMOLS-id_324344929,MCULE-2453910359	299.796	MVDBHAPQSPOSLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059486
CCc1cc(Cn2nc3CCC(C)c3c2C#N)ccc1Cl	EMOLS-id_331002547,MCULE-6573711799	299.798	GXADUOMYZITZAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059487
CCc1cc(Cn2nc(C#N)c3C(C)CCc23)ccc1Cl	MCULE-9568525501,EMOLS-id_331021816	299.798	KBQGJJCGFSTGPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059488
C1Cc2c(C1)sc(c2C(=O)Nc1ncc(s1)Cl)N	SCHEMBL20353921,PC-id_135200340	299.8	WNJRMJXJTVNCRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059489
c1(c(C)sc(Cl)n1)C(=O)/N=c/1sc2c(CCC2)[nH]1	EMOLS-id_49246822,EMOLS-id_50403602,MCULE-5454827738,PC-id_75356619,ZINC22_96230784,STOCK7S-46165	299.8	XZIXTHUTYRHQFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059490
c1(NC(=O)c2ccc(Cl)s2)n(C)nc2CSCc12	EMOLS-id_334563774,MCULE-9389976933	299.8	SDXVLSNZKHLURP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-059491
Clc1cnc(s1)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318506215	299.8	BLKVAISBESQVDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059492
Clc1nnc(s1)C(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314668180,PC-id_80619151	299.8	NXLHTPZNQCFUSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059493
O=C(c1scnc1Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318466910	299.8	IBPIJCDLPUMFEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059494
ClCC1(CCOCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_106300571	299.816	SCWLFLQGGVSNQE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-059495
ClCC1OC(C)CN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_113755012	299.816	NAVSONZHJKKCJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059496
ClCC1OCC(N(C1)C(=O)c1sc2c(CCC2)c1)C	PC-id_81211729	299.816	LCCRNOUBEUZHDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059497
C[C@H]1NCCN(C1)C(=O)NC1CCc2c1cc(s2)Cl	EMOLS-id_102874563	299.82	JSVGMHQXQVFOHB-HNHGDDPOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059498
C[C@@H]1NCCN(C1)C(=O)NC1CCc2c1cc(s2)Cl	EMOLS-id_102874566	299.82	JSVGMHQXQVFOHB-PEHGTWAWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059499
Clc1cc2c(s1)CCC2NC(=O)N1CCNCCC1	EMOLS-id_102874572	299.82	MREGAINOLSQOEU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-059500
ClCC(=O)N1CCN(CC1)Cc1sc2CCCc2n1	PC-id_44060346	299.82	UTNAPBAPYHGVDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059501
Clc1sc2c(c1)C(CC2)NCC(c1cscc1)O	PC-id_106434800	299.839	MJBNLEJYYVHPGS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-059502
CCNC(c1sc2c(n1)CCC2)c1ncc(s1)Cl	PC-id_113920299	299.843	LJUYDVGCYRNEJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059503
CCCC(CNC(=O)c1sc2c(c1)CCC2)CCCl	PC-id_106117435	299.859	KWLUMNUROCLWQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059504
CCC(C(CNC(=O)c1sc2c(c1)CCC2)Cl)CC	PC-id_106287097	299.859	WTTGLRZAEOOPCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059505
CCC(CNC(=O)c1sc2c(c1)CCC2)(CCl)CC	PC-id_114164500	299.859	SDYCRCCDFODDGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059506
CCOC1CC(C1(C)C)NC1CCc2c1cc(s2)Cl	PC-id_105837885	299.859	YIUUBMSHAGVHOA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-059507
Clc1sc2c(C(NCC3C(CCCC3)CO)CC2)c1	PC-id_81251866	299.859	QFROFQQIZQGZJB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-059508
Clc1sc2c(C(NCC3(O)CCC(CC3)C)CC2)c1	PC-id_81251533	299.859	GTUJZBJKNSUCLF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-059509
Clc1sc2c(C(NCC3(O)CC(CCC3)C)CC2)c1	PC-id_81251747	299.859	SMJSJLFVJDCCLI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-059510
Clc1sc2c(C(NCC3(O)CCCCCC3)CC2)c1	PC-id_81251976	299.859	LUDLDUSHKOGLAM-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-059511
Clc1sc2c(C(NCCOC3CCCCC3)CC2)c1	PC-id_81252918	299.859	JEBIEFZILHTSJY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-059512
ClCCC(C(C)(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_106355507	299.859	BSYYGYVJQWFRFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059513
ClC(CC(C)(C)C)CNC(=O)c1sc2c(c1)CCC2	PC-id_107157108	299.859	YDQZELLNYLSIBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059514
ClCCCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_114149576	299.859	ZENPWVCLPVMUQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059515
ClCCN(C(CC)CC)C(=O)c1sc2c(CCC2)c1	PC-id_63395776	299.859	WZLMPYRJGCXLLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059516
OCC1(CCCCC1)CNC1CCc2c1cc(s2)Cl	PC-id_112551321	299.859	REXBZXZAVFAUKG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-059517
Clc1sc2c(C(NCC3N(CCN(C3)C)C)CC2)c1	PC-id_81251531	299.863	XTUKEYPXVOVHIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059518
Clc1sc2c(C(NCCN3CCN(CC3)C)CC2)c1	PC-id_81252287	299.863	ORDFOMPICFSOSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059519
Clc1sc2c(C(NCCCCCCC(C)C)CC2)c1	PC-id_81251833	299.902	COQULPLRRCKSCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059520
Clc1sc2c(C(NCC(CCCCC)(C)C)CC2)c1	PC-id_81252202	299.902	PHDWXIUHVGYZNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059521
CC1Oc2c(O1)c(sc2Br)Br	PC-id_141256581	299.968	DQPOEGNVMCDBLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059522
Brc1sc(Br)c2c1N=S=N2	EMOLS-id_324144492,SCHEMBL13049962,MCULE-7964030676	299.994	BWZXAJOLRNMCBR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-059523
Brc1sc(Br)c2c1CSC2	PC-id_14925382	300.034	CQYMTVYCJRUESV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059524
CC1=C(SC(=N1)OC)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164872081	300.035	UAMUFGWURWATLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059525
CC1=C(SC(=O)N1C)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164872319	300.035	FJZURYXGMIVLKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059526
FC(F)Cn1nc2COCc2c1I	MCULE-8888615519,EMOLS-id_324400981	300.045	KIPQBWLZRZGSJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059527
Cc1oc2=C/C(=Cc3cc4c(n3B(F)F)c(co4)C)/N=c2c1	PC-id_102076366	300.068	HGRUNFQEQDMEBA-ONNFQVAWSA-N	00000010100000000000000110000000000000000000000000000000	25-01-059528
C[N+]1=C2N(C(CS2)CC#N)C(=C1O)C(=O)C3=CC=CC=C3	PC-id_164805937	300.08	MPQHJTZGKHPSDS-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-059529
CC1=CN=C2N1CC(O2)COC3=NC=C(C=N3)C(F)(F)F	PC-id_150699247	300.083	JLNAPEAPOKDFQW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059530
CC1=NN(C2=C1CCC2)C(=O)C3=C(C=CC=C3Cl)C4CC4	PC-id_154986317	300.103	IDPDEDRZTBTQNB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059531
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3=CC=CC=N3)C	PC-id_160798957	300.11	SCUPWCFFDSGGQX-UHFFFAOYSA-M	00000010100000101001000010000000000000000000000000000000	25-01-059532
CC1=CC=C2N1C(=O)N(C2CC(=O)OC3=CC=CC=C3)OC	PC-id_162355874	300.111	WLKPAJCMJBLXSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059533
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C#C)C(=O)O	PC-id_163998702	300.111	UGZYYQCICITJEP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-059534
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3=CC=CC=C3)C	PC-id_153866737	300.122	SAVJRMNQETYQIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059535
C1CC2=C(C1)N(N=C2C(=O)NC3=C(C=NC=C3)F)CC4CC4	PC-id_164769820	300.139	VLSKDWLWXRDNCW-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-059536
CC1=C(N2CCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=CN3	PC-id_148548976	300.147	QGDWBYWCPJFEAL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059537
CCC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=CN3CC	PC-id_161860296	300.147	YAGDEKZJJPDYQZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059538
CC(C)OC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CN3C	PC-id_148548982	300.147	QULKCUSWGSMLGU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059539
CCCOC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CN3C	PC-id_149253613	300.147	DYDRRXZHILTHSO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059540
BrCCCCOC(=O)Cc1ccc2n1CCC2	PC-id_141284781	300.192	BYMFPWVHUYDTIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059541
CC(C)(C)C1C2=C(CN1)N(N=C2N)CC3=CC=C(C=C3)OC	PC-id_161206291	300.195	UVQGQVHWIYNULH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059542
Clc1ccc(c(c1)Cl)Cn1sc2c(c1=O)CCC2	PC-id_13747919,SCHEMBL10552684	300.204	XAFRDMPHUUGZNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059543
Clc1sc2c(c1)C(CC2)Nc1ccc(c(c1)Cl)O	PC-id_107678259	300.204	NOKNOYKZUGAVNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059544
Clc1cc(CN2Cc3sc(nc3C2)N)ccc1Cl	PC-id_82194344	300.207	HIDUYAFRBYLVQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059545
Clc1c(CN2Cc3sc(nc3C2)N)ccc(Cl)c1	PC-id_82194352	300.207	WSYRSDODSAEKFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059546
Clc1c(CN2Cc3sc(nc3C2)N)c(Cl)ccc1	PC-id_82194339	300.207	HMTBYPQUQNMARK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059547
Clc1ncc(c(n1)NCc1sc2c(c1)CCC2)Cl	PC-id_106194025	300.207	WGBDKRFVXBZGNS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059548
Clc1nnc(c(c1)NCc1sc2c(c1)CCC2)Cl	PC-id_81764533,EMOLS-id_315736106	300.207	IFUGYOIKAPCNDY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059549
BrC1CCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_80677997	300.215	YBRDHTZCNUWDNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059550
BrCC1(CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_116349912	300.215	JPTQCPMJCNRLQC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-059551
c1nc2c([nH]1)C(=O)N(C2=O)CCN1C(=O)c2c(C1=O)nc[nH]2	PC-id_137638185	300.23	MLLLFJZRCMBANS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059552
O=C(c1conc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_320034663,MCULE-9174574991	300.237	TVAXEDSBSIVXGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059553
O=C(c1conc1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319439642	300.237	ODHFHPXKAUJZLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059554
O=C(c1ncoc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318942700	300.237	LXRQBRKQMUSKIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059555
O=C(c1ncoc1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318828005	300.237	AEYVOKKGAACEQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059556
O=C(c1ocnc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319591496	300.237	QHXYLUKLIKPGJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059557
O=C(c1ocnc1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318931058	300.237	UINZFBQIDVKKIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059558
O=C(c1onc(c1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318835172	300.237	AUPJFHIWQAMGTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059559
CC1CCc2c1c(CBr)nn2CCCN(C)C	MCULE-1774749608,EMOLS-id_331030541	300.238	AHCSHWYYGUXJPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059560
CC1CCc2nn(CCCN(C)C)c(CBr)c12	MCULE-7993376959,EMOLS-id_331014844	300.238	HYPJFSVKCDPNAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059561
O=C(c1[nH]ncc1C(F)(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_316631615	300.24	PTMUZGDTKSEJJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059562
O=C(N1CCn2c1ncc2)Nc1ccn(n1)CC(F)(F)F	EMOLS-id_319507829	300.24	UBIMVTAIPUMZGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059563
O=C(N1CCn2c1ncc2)Nc1cn(nc1C(F)(F)F)C	EMOLS-id_319693080	300.24	FMGONYNYWFFTMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059564
O1c2c(n(c(c2C)C(=O)c2ccc([N+](=O)[O-])cc2)C)CC1=O	PC-id_9904405,SCHEMBL7678595	300.266	ZTCVMCYHEXLIDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059565
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2n1CCC2C(=O)O	PC-id_13487053,CHEMBL428357	300.266	WQOPDXBKFXPQBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059566
O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2n1CCC2C(=O)O	PC-id_13487054,CHEMBL9382	300.266	ZOYBYIRHVONPMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059567
OC(=O)C1CCn2c1ccc2C(=O)c1c([N+](=O)[O-])cccc1	PC-id_85749673	300.266	WOVSZDIUNLAEGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059568
CC(c1nnc2n1CCC2)NCc1ccc(o1)C(F)(F)F	EMOLS-id_318425832,MCULE-6116560178	300.28	PMTVGMNDQHLIEK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059569
OCc1nn(c(c1C)C(F)(F)F)Cc1nn2c(c1)CCC2	EMOLS-id_318810943	300.28	ALTYQZDSPFZGGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059570
CC1CC(c2n1ncn2)NCCn1ccc(n1)C(F)(F)F	EMOLS-id_318681900,MCULE-5072669882	300.283	KKNNESMCMYTCLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059571
FC(C(n1cncn1)CNCc1nn2c(c1)CCC2)(F)F	MCULE-2976029728,EMOLS-id_316422464	300.283	AKLMKQUKIGYRKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059572
COc1cc(NC(=O)c2occ3c2CCC3)c(cc1C#N)F	EMOLS-id_318571490	300.284	NFFWNOZKTSRGHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059573
COCCNC(=O)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960086	300.286	HODXYGUMUULHNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059574
Fc1cc(c(NC(=O)NCc2n3CCCc3nn2)cc1)C#N	PC-id_78894432	300.291	JQTYASSLHCOACC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059575
N#Cc1ccc(c(c1)NC(=O)NCc1nnc2n1CCC2)F	MCULE-9871796049,EMOLS-id_319932838	300.291	KBINWAROXNNMTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059576
FC(c1ccc(nn1)NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318742762	300.303	NQZJETBYUHNSEW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059577
FC(c1ccnc(n1)CNc1sc2c(n1)CCC2)(F)F	EMOLS-id_318391219	300.303	PYWFRMABERKIBX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059578
FC(c1ccnc(n1)NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318707626	300.303	NCPZBELCAWDLCW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059579
FC(CN1CCC(C1)CNC(=O)c1nn2c(c1)OCC2)F	MCULE-6943245380,EMOLS-id_319941805	300.304	JBDYTJSLIWIMSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059580
FC(C(N1CCOCC1)CC(=O)N1CCn2c1ccn2)F	EMOLS-id_319304215	300.304	OHMDMVYRZUFDRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059581
FC(C(N1CCOCC1)CC(=O)N1CCn2c1ncc2)F	EMOLS-id_319190849	300.304	FIHPQMWPOLYFKQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059582
O=C(C(C1(O)CCC1)(F)F)NCCc1nnc2n1CCC2	PC-id_109919392	300.304	GOUCAOFMCLRRDQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059583
O=C(N1CCOCC(C1)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101574735	300.304	BYIDKJOZKVMZCP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-059584
CCOC(=O)C1c2c(n(c(c2C=N1)O)Cc1ccccc1)O	PC-id_137137692	300.309	LVLZIVHXHSRDGY-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-059585
COc1c(ccc(c1OC)OC)C=C1Cn2c(C1=O)ncc2	MCULE-2611894737,EMOLS-id_177331276	300.309	LLSNEKQUUKSFCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059586
COc1ccc(/C=C/Cn3ccnc3C2=O)c(OC)c1OC	ZINC22_585135993	300.309	LLSNEKQUUKSFCI-FLIBITNWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059587
OC(=O)CC(c1ccccn1)NC(=O)c1occ2c1CCC2	MCULE-6913434342,EMOLS-id_320084077	300.309	HAHFCZOSZQJMGA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-059588
C1Cc2c(C(=O)NN=Cc3cccc(OC)c3O)n[nH]c2C1	MCULE-9120525769	300.313	UUCARZYGNLBGKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059589
C1Cc2nnc(n2C1C(=O)O)CNC(=O)Cc1ccccc1	PC-id_134787309	300.313	SHPHOPSCIHKXBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059590
c1(C(=O)NN=Cc2ccc(c(O)c2)OC)c2CCCc2[nH]n1	PC-id_5372079,MCULE-2876747832	300.313	LPPOTYIBMAZHIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059591
c1(C(=O)NN=Cc2ccc(c(OC)c2)O)c2CCCc2[nH]n1	MCULE-3442105141	300.313	ITNCVVGDTNOCSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059592
Cc1oc2c(n1)CN(C2)CCn1cc2c(c1)C(=O)N(C2=O)C	SCHEMBL18648061	300.313	NUMYTKVYAADMBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059593
CC(=O)N1Cc2nc(C(=O)NCCc3cccnc3)oc2C1	EMOLS-id_44304386,PC-id_97442825,ZINC22_96147301	300.313	VUAXUIGNHWFYEE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059594
COc1c(ccc(c1)/C=NNC(=O)c1n[nH]c2c1CCC2)O	CoCoCo_695812,CoCoCo_695810,PC-id_136661271	300.313	ITNCVVGDTNOCSY-PXNMLYILSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059595
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68441308,SCHEMBL2920527	300.313	KOCLXDINDMUBAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059596
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	SCHEMBL2918879,PC-id_68440749	300.313	QKZSYOFWWXBKMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059597
COc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)C	SCHEMBL2915172,PC-id_23645981,BindingDB-id_21785,BindingDB_PC-id_23645981,CHEMBL204383	300.313	WKUZSVHNZTYTJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059598
COc1ccc(cc1O)/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_44524,CoCoCo_44522,SPECS-id_AT-225/NB37090	300.313	LPPOTYIBMAZHIL-PXNMLYILSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059599
COc1ccc(cc1O)/C=N/NC(=O)c1n[nH]c2c1CCC2	CK1942113,CoCoCo_44523,BAS-00338646,PC-id_5342682,SPECS-id_AT-225/NB39209,CHEMBL1410813,CoCoCo_44521,EMOLS-id_206904459	300.313	LPPOTYIBMAZHIL-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059600
COc1cccc(c1O)/C=N/NC(=O)c1n[nH]c2c1CCC2	PC-id_135679568,SPECS-id_AT-225/NB40879	300.313	UUCARZYGNLBGKQ-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059601
COc1cccc(c1O)/C=NNC(=O)c1n[nH]c2c1CCC2	PC-id_136774534	300.313	UUCARZYGNLBGKQ-PXNMLYILSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059602
COc1cc(/C=N/NC(=O)c2n[nH]c3CCCc23)ccc1O	CoCoCo_695811,PC-id_135446773,EMOLS-id_624057,CoCoCo_695809	300.313	ITNCVVGDTNOCSY-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059603
COC(=O)c1cccc(C(=O)Nc2c3c(nn2C)CCC3)n1	MCULE-5387250434,EMOLS-id_44503850,ZINC22_65893967,PC-id_71936265	300.313	PIAYSTCTQQCWNN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059604
COC(=O)c1ccc(CC(=O)N=c2cc3n([nH]2)CCC3)cn1	MCULE-7854033588,PC-id_146105893,ZINC22_1875274774,EMOLS-id_324063342	300.313	ZJVSVJRXRQFENB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059605
COC(=O)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	MCULE-4880166808,PC-id_17444434,GD-id_ZINC14108717,CoCoCo_4560391,ZINC22_14108717,EMOLS-id_13466647	300.313	YUHPESJHEOCTRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059606
COC(=O)c1ccnc(C(=O)NCc2n[nH]c3c2CCC3)c1	ZINC22_1775998162,MCULE-9737916116,EMOLS-id_317026882	300.313	AFZLKTUVCCVBSV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059607
COC(=O)c1nccc(c1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_278453029	300.313	ZVQHWJSVIDXUMB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059608
COC(=O)[C@H](Cc1ccccc1)NC1C(=O)n2ccnc2N1	SCHEMBL7326148,PC-id_135813033	300.313	QQOQCWMKAWKGBU-PXYINDEMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059609
O=C1CC(CN1Cc1ccco1)C(=O)N1CCn2c1ccn2	EMOLS-id_316055451,MCULE-1378564118	300.313	FITHIWIWAPBURV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059610
O=C1C[C@@H](C(=O)N2CCn3nccc23)CN1Cc1ccco1	ZINC22_368489714	300.313	FITHIWIWAPBURV-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059611
O=C1C[C@H](C(=O)N2CCn3nccc23)CN1Cc1ccco1	ZINC22_368489715	300.313	FITHIWIWAPBURV-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-059612
O=C(c1oc2c(n1)CN(C2)C(=O)C)NCCc1ccncc1	PC-id_97525784	300.313	RCMSBCDSHQOYTA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059613
O=C(N1Cc2c(C1)nc(o2)COCC1CC1)c1nccnc1	PC-id_97406047	300.313	ANPMXRXWRZGCGY-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-059614
O=C(N1Cc2c([nH]nc2NC(=O)COc2ccccc2)C1)C	SCHEMBL2920175,PC-id_68441204	300.313	WWOJWBXIAXWSDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059615
O=C(Nc1n(nc2c1CCC2)C)c1c(c([N+](=O)[O-])ccc1)C	PC-id_45536829	300.313	JMPYXMMTSBWZHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059616
O=C(Nc1n(nc2c1CCC2)C)c1cc([N+](=O)[O-])c(cc1)C	PC-id_45536830	300.313	ZWKSWVPKDCPRGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059617
O=C(Nc1n(nc2c1CCC2)C)Cc1ccc([N+](=O)[O-])cc1	PC-id_45536840	300.313	XKIAQQLGLGBSJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059618
O=C(N[C@H](Cc1ccncc1)C(=O)O)c1cnn2c1CCC2	ZINC22_655602397	300.313	YBUUOTVTTBMVBP-GFCCVEGCSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059619
O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1cnn2c1CCC2	ZINC22_655602399	300.313	YBUUOTVTTBMVBP-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059620
O=C(NN/C=C/1C=C(OC)C(=O)C=C1)c1n[nH]c2CCCc12	PC-id_5336794	300.313	SHZWMMVCFIFKIL-HJWRWDBZSA-N	00000010100011000001000010000000000000000000000000000000	25-01-059621
O=C(NNC=C1C=C(OC)C(=O)C=C1)c1n[nH]c2CCCc12	PC-id_6745135	300.313	SHZWMMVCFIFKIL-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-059622
O=C(NN/C=C
/C=C(OC)C(=O)C=C1)c1n[nH]c2CCCc12	PC-id_73893643	300.313	SHZWMMVCFIFKIL-CMDGGOBGSA-N	00000010100011000001000010000000000000000000000000000000	25-01-059623
O=C(NN/C=C
/C(=O)C(=CC=C1)OC)c1n[nH]c2CCCc12	PC-id_6269034	300.313	JZJDMVFEJJEKPW-CMDGGOBGSA-N	00000010100011000001000010000000000000000000000000000000	25-01-059624
O=C(NNC=C1C(=O)C(=CC=C1)OC)c1n[nH]c2CCCc12	PC-id_6845071	300.313	JZJDMVFEJJEKPW-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-059625
OC(=O)CC(c1ccccn1)NC(=O)c1cn2c(n1)CCC2	MCULE-9555559981,EMOLS-id_320080054	300.313	UNZHACQQOSNJEE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059626
OC(=O)CC(c1ccccn1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319827433,MCULE-6082159940	300.313	HYIAFQMLHZGMNY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059627
OC(=O)CC(c1ccccn1)NC(=O)c1cnn2c1CCC2	EMOLS-id_319600996	300.313	HKBLKMPUFFBUAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059628
OC(=O)C(NC(=O)c1cnn2c1CCC2)Cc1ccncc1	PC-id_146135259	300.313	YBUUOTVTTBMVBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059629
O(C(=O)n1nc(NC(=O)c2ccccc2)c2c1CNC2)CC	PC-id_71477416	300.313	IIQWGVNBNDJNNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059630
C1CN(CCN1c1ncccn1)C(=O)c1nn2CCOc2c1	PC-id_91959892	300.316	UFOVTONUICKASV-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-059631
Cc1onc(c1)n1c(C)cn(c1=O)Cc1nnc2n1CCC2	EMOLS-id_319560245	300.316	QTLWDXPGJQQPNC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059632
C#CCCC1(CCC(=O)N2Cc3n[nH]cc3[C@@H]2C(=O)N)N=N1	ZINC22_2325894581	300.316	AJQMYJIJLFXCPW-GFCCVEGCSA-N	00110010100000000001000010000000000000000000000000000000	25-01-059633
C#CCCC1(CCC(=O)N2Cc3n[nH]cc3[C@H]2C(=O)N)N=N1	ZINC22_2325894582	300.316	AJQMYJIJLFXCPW-LBPRGKRZSA-N	00110010100000000001000010000000000000000000000000000000	25-01-059634
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccnc1	SCHEMBL2917028,PC-id_68440153	300.316	DYZKACGIHFPGHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059635
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccccn1	SCHEMBL2923693,PC-id_68442509	300.316	VILOZYWOWOIQRR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059636
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccncc1	PC-id_68442043,SCHEMBL2922573	300.316	VWOVKLJNNQQKSV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059637
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)Nc1ccccc1	SCHEMBL12307481,PC-id_58440749	300.316	WVAGSGBBGBAPGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059638
Nc1ccnc(n1)C1CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_319988188,MCULE-3384258539	300.316	PFFNVQMVYNSHSY-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-059639
O=C(c1cc2n(n1)CCO2)N1CCN(CC1)c1nccnc1	EMOLS-id_99518252	300.316	NAEORVWCXMECMC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-059640
Fc1ccc(cc1)NC1CN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_318736672	300.327	TXJUEXDJXANLDN-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-059641
C1CN(C1)C(=O)c1nn2[C@H](CCc2n1)Cc1ccccc1F	SCHEMBL20222554,PC-id_134571895	300.331	MLWMIOSZIHCIDM-GFCCVEGCSA-N	00001010100000110001000010000000000000000000000000000000	25-01-059642
CC1CC(c2n1ncn2)NC(=O)[C@@H]1C[C@H]1c1ccc(cc1)F	MCULE-7825845099,EMOLS-id_320037945	300.331	YUWRZBGGROHQBR-VANKOWKTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059643
CCn1nc2c(c1NC(=O)c1ccc(cc1)F)C=NC2(C)C	PC-id_140052488	300.331	TYSJJYTZLLZOGJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-059644
Fc1cc(C2C(C2)C(=O)NCc2n3CCCc3nn2)ccc1	MCULE-2458413136,PC-id_71884189,EMOLS-id_45756347	300.331	FGSBLPCQFZXYEY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059645
Fc1ccc(C2C(C2)C(=O)NCc2n3CCCc3nn2)cc1	EMOLS-id_45742981,MCULE-4513214268,PC-id_71899923	300.331	VTHMBNXCMLEOQS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059646
Fc1cccc(c1)C1(CC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318598571	300.331	NQPAKIXAPZSBHE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059647
Fc1ccc(cc1)N1CCC(C1=O)NC1CCn2c1ncc2	MCULE-1854226679,EMOLS-id_318373451	300.331	BLFWNHGKBCPNTK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059648
Fc1ccc(cc1)NC1CN(C1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_278433952	300.331	IAGOOMQWQADREO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-059649
Fc1ccc(cc1)NC1CN(C1)C(=O)c1cnc2n1CCC2	EMOLS-id_316724581,MCULE-4544876466	300.331	OAZKSJVECIJXPL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-059650
Fc1ccc(cc1)NC1CN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_318689962,MCULE-6399623671	300.331	OYVGEACKGQBVEQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-059651
Fc1ccc(cc1)NC1CN(C1)C(=O)c1nn2c(c1)CCC2	MCULE-8106165385,EMOLS-id_318697785	300.331	XSZFSLBJSLHTST-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-059652
Fc1ccc(cc1)NC1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316498906	300.331	OTFLFMDGPLCGGN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-059653
O=C1C(CCN1c1ccccc1F)NC1CCn2c1ncc2	MCULE-7486934074,EMOLS-id_318084092	300.331	UVTJDVSQTKNGHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059654
O=C1CC(CN1c1ccccc1F)NC1CCn2c1ncc2	MCULE-8450002879,EMOLS-id_318013079	300.331	GHBUNTBDJRPDRK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059655
O=C1CCCN1c1ccc(c(c1)NC1CCn2c1ncc2)F	EMOLS-id_318510072	300.331	ZXEBBDHWAGIOJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059656
O=C(C1(CC1)c1ccccc1F)NCc1nnc2n1CCC2	EMOLS-id_318764961	300.331	IERNJLKADWRXDI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059657
O=C(C(N1CCn2c1ncc2)c1ccc(cc1)F)NC1CC1	EMOLS-id_318541482	300.331	CZNXKPJEKALBHI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-059658
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1cccc(F)c1	PC-id_95180030,ZINC22_67143124	300.331	FGSBLPCQFZXYEY-OLZOCXBDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059659
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1cccc(F)c1	ZINC22_67143123,PC-id_95180029	300.331	FGSBLPCQFZXYEY-STQMWFEESA-N	00100010100000110001100010000000000000000000000000000000	25-01-059660
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1cccc(F)c1	ZINC22_67143125,PC-id_95180031	300.331	FGSBLPCQFZXYEY-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059661
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1cccc(F)c1	ZINC22_67143126,PC-id_95180032	300.331	FGSBLPCQFZXYEY-CHWSQXEVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059662
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1ccc(F)cc1	PC-id_94584683,ZINC22_54905614	300.331	VTHMBNXCMLEOQS-STQMWFEESA-N	00100010100000110001100010000000000000000000000000000000	25-01-059663
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1ccc(F)cc1	PC-id_94584684,ZINC22_54905617	300.331	VTHMBNXCMLEOQS-OLZOCXBDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059664
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1ccc(F)cc1	PC-id_94584685,ZINC22_54905619	300.331	VTHMBNXCMLEOQS-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059665
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1ccc(F)cc1	PC-id_94584686,ZINC22_54905622	300.331	VTHMBNXCMLEOQS-CHWSQXEVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059666
OC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)ccc2)C	SCHEMBL18616048	300.331	ROVOJTWRDICQEN-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059667
c1(ccc(O)cc1O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327792350,MCULE-8874086502	300.332	BXRICOWKTVROIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059668
c1(cc(O)cc(O)c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6224706026,EMOLS-id_328012454	300.332	XBZBRUZYSMYMQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059669
CNC(=O)OCc1nc2n(c1COC(=O)NC)CCS2	PC-id_14976048,CHEMBL332192	300.334	ZNCKADQUWDFRRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059670
CS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959771	300.334	FCDGYDFKWALFQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059671
ONC(=O)c1n(S)nc2c1CN(C2)C(=O)OC(C)(C)C	PC-id_144283262	300.334	NTEDIKDPRJHRKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059672
c1(NC(=O)c2cc(=O)[nH]c(C)n2)sc2c(CCC2)c1C#N	MCULE-1618730837,EMOLS-id_322841520	300.336	DTHBJVSPTOTFIJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059673
c1(NC(=O)c2cnc([nH]c2=O)C)sc2c(CCC2)c1C#N	MCULE-6819250689,EMOLS-id_322838458	300.336	HDGBKIIHMLHNIC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059674
Cc1onc(c1C(=O)N1CCn2c1ccn2)c1cccs1	EMOLS-id_320285723,MCULE-7294204341	300.336	YXJUCDUVKLBCHK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-059675
Cn1c(=O)ccc(C(=O)Nc2c(C#N)c3c(CCC3)s2)n1	MCULE-1708474099,EMOLS-id_322820390	300.336	JSUBTUUZECIGJS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059676
N#Cc1cnc(c(c1)[N+](=O)[O-])NCc1sc2c(c1)CCC2	PC-id_103471378	300.336	CDZIECAHLFKAQW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-059677
N#Cc1nc(NCc2sc3c(c2)CCC3)ccc1[N+](=O)[O-]	PC-id_103471377	300.336	DBXUSZVFWVMYNG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-059678
O=C(c1n[nH]c(c2occc2)c1)Nc1sc2c(CCC2)n1	ZINC22_30687310,EMOLS-id_323231176,MCULE-1389336391,PC-id_37828281,EMOLS-id_33303885	300.336	KIYIRPZCBOFVQV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-059679
O=C(Nc1nc2SCCn2c1C#N)OCc1ccccc1	EMOLS-id_331250486	300.336	DJAMGOOUUOLMAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059680
s1c2CCCc2cc1CNc1nccc(c1[N+](=O)[O-])C#N	PC-id_80710909	300.336	OCZHJLCUGXKARL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-059681
s1c2CCCc2cc1CNc1ncc([N+](=O)[O-])cc1C#N	PC-id_61941451	300.336	CPRDWTVEIMJANJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-059682
N#Cc1c(NC(=O)c2cnc(nc2C)C)nc2n1CCS2	EMOLS-id_98878963	300.339	YAJVTTDOROJZGZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059683
CCOC(=O)c1nn(c2c1[C@@H](C)[C@H](C2(F)F)C)C(C)(C)C	SCHEMBL20078937,PC-id_134443746	300.344	SRDKPVNTFLUPOU-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059684
Cc1ccc(cc1F)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4674156500,EMOLS-id_327896513	300.351	NXBDNPLPQYGUQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059685
Fc1ccccc1CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322627906,MCULE-6918766631	300.351	WMJFAEHANABCTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059686
Fc1ccc(CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	PC-id_7597199,MCULE-9481091306,EMOLS-id_322623310	300.351	IZJYTGRRRCMWDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059687
N#Cc1ccc(c(c1)CNC(=O)c1sc2c(c1)CCC2)F	EMOLS-id_318510128	300.351	XKXZFBBXBFERGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059688
N#Cc1ccc(cc1F)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318463261	300.351	SSZYEOFTOKCORG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059689
N#CC1CCn2c1cc(c2C(=O)c1ccc(cc1)F)SC	SCHEMBL10812803,PC-id_13687520	300.351	OJAYJGIPQBPTSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059690
N#Cc1c(NC(=O)c2ccc(cc2C)F)sc2c1CCC2	PC-id_115745598	300.351	FQLMEGYJDJMHMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059691
s1c2CCCc2cc1C(=O)NCc1c(F)cc(cc1)C#N	PC-id_63359565	300.351	MNPFHHBWUYPSNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059692
s1c2CCCc2c(c1NC(=O)c1cc(ccc1F)C)C#N	PC-id_62509599	300.351	PYCFQXXHWPWOPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059693
s1c2CCCc2c(c1NC(=O)c1cc(c(F)cc1)C)C#N	PC-id_63213474	300.351	ZUIFQIPSAQJXOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059694
s1c2CCCc2c(c1NC(=O)c1c(F)cc(cc1)C)C#N	PC-id_79765587	300.351	NVXWTYDAVNLZOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059695
s1c2CCCc2c(c1NC(=O)c1c(F)c(ccc1)C)C#N	PC-id_80710528	300.351	KQVSYXJGSDQSIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059696
c12CN(Cc1oc(Cc1ccccc1)n2)C(=O)OC(C)(C)C	MCULE-5030687895,PC-id_83949622	300.352	GDFCKNXHMLKMPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059697
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2COC)n1	EMOLS-id_330987764,MCULE-1718839005	300.352	AAMJJEYABOUEBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059698
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)OCC)n1	MCULE-1802467078,EMOLS-id_330984190	300.352	JSACFVAWYQZQJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059699
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2OCC)n1	MCULE-2356100720,EMOLS-id_330985712	300.352	YIZXLMTYNFXTDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059700
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(C)c2)OC)n1	MCULE-1295567355,EMOLS-id_330985211	300.352	HWCLPKRAJGBKPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059701
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)ccc2OC)n1	MCULE-9812591470,EMOLS-id_330985968	300.352	RFPKSDRQJHLTLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059702
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(OC)c2)C)n1	EMOLS-id_330982654,MCULE-7395059091	300.352	OLXCSPPOQXLCFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059703
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(OC)c2C)n1	MCULE-6977503502,EMOLS-id_330987252	300.352	RRAALVTVRVDXPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059704
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(OC)ccc2C)n1	MCULE-1663993136,EMOLS-id_330987508	300.352	PQADRZPSYLXXIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059705
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1COC	MCULE-6223140533,EMOLS-id_330970800	300.352	ADGOUDUDKBINDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059706
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)OCC	EMOLS-id_330967226,MCULE-8352202131	300.352	HNPYGIGZGKGMDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059707
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1OCC	EMOLS-id_330968763,MCULE-5880530404	300.352	TYFYGFPAMUMDQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059708
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)ccc1OC	MCULE-8007736047,EMOLS-id_330969019	300.352	FLFJAKYGJAMNPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059709
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(C)c1)OC	MCULE-8784807421,EMOLS-id_330968247	300.352	AGVTVRTYIPVONM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059710
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)C	MCULE-4404328115,EMOLS-id_330965690	300.352	ICBCWLRWHWIAQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059711
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(OC)c1C	MCULE-9042783760,EMOLS-id_330970288	300.352	DIRAWXJDXDVKPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059712
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(OC)ccc1C	MCULE-6651504593,EMOLS-id_330970544	300.352	UTUBSKPBQHZKHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059713
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC	MCULE-3310527007,EMOLS-id_330970290	300.352	HRJFWJLAWHECNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059714
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccccc1OC	MCULE-3981562554,EMOLS-id_330970038	300.352	JGOPWXWCVLLRRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059715
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(OC)c1	EMOLS-id_330973108,MCULE-9232783611	300.352	NTUIFCLCGQWREC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059716
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)OC)n1	EMOLS-id_330990066,MCULE-5800797928	300.352	QCZPZHLWQYUYJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059717
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2OC)n1	EMOLS-id_330990582,MCULE-6035060114	300.352	NCVQNVBFSLMUEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059718
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(OC)c2)n1	EMOLS-id_330991604,MCULE-9999458392	300.352	QENMQLAAFJUJOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059719
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)OC	EMOLS-id_330971837,MCULE-9339143721	300.352	VPYUUTITNQAHAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059720
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1OC	EMOLS-id_330976433,MCULE-7521463751	300.352	ZREQYPWPXJTHHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059721
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(OC)c1	EMOLS-id_330973360,MCULE-2252920998	300.352	RYJFFGYYFBKFDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059722
Cc1csc2c1C=C[N+]2(CC(=O)O)C(=O)c1ccccc1	SCHEMBL10808739,PC-id_88671540	300.352	KOCQMXXMZBUIMG-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-059723
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1O	EMOLS-id_331009188,MCULE-3556227892	300.352	LRIYFVITZJGGOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059724
CCCCn1cccc1C(=O)c1ccc2n1CCC2C(=O)O	PC-id_70569881,SCHEMBL11353781	300.352	YNDGELGRHSVASA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059725
COc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1OC	EMOLS-id_330981821,MCULE-9102276780	300.352	MVIQQCTWWLWAPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059726
COc1ccc(Cn2nc3CCC(C)c3c2C=O)c(OC)c1	MCULE-2991271321,EMOLS-id_330982077	300.352	NYFAMNNELIMTKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059727
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1OC	MCULE-4262189927,EMOLS-id_331002098	300.352	LRRWXTKKYFJLJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059728
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)c(OC)c1	EMOLS-id_331002354,MCULE-2797182514	300.352	ZBPBYCPCCAIZSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059729
COC(=O)Cc1cc(c(n1C)C(=O)c1ccc2n1CCC2)C	SCHEMBL11003075,PC-id_13478513	300.352	OVCOLKAKPDNCOV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059730
O1C(Cn2c1nc(c2)C=O)COc1ccc(C(C)(C)C)cc1	PC-id_78098341	300.352	BQFCUYDBLZYGBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059731
O1[C@@H](Cn2c1nc(c2)C=O)COc1ccc(C(C)(C)C)cc1	PC-id_71525499	300.352	BQFCUYDBLZYGBG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059732
OC1c2[nH]cc(c2N(C1)C(=O)OCc1ccccc1)C(C)C	PC-id_57168240	300.352	DARPEXMGWLWFDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059733
OC(=O)C1c2n(CC1)c(c(c2)C)C(=O)c1[nH]c(C(C)C)cc1	SCHEMBL10644003,PC-id_70411032	300.352	YCCPPRXWBQCZCG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059734
s1c2c(CCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)[O-]	PC-id_3266466	300.352	IXHSGZNTCIERPZ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-059735
s1c2c(CCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)[O-]	PC-id_6948097	300.352	ATOWWQNUFHSVDL-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-059736
Fc1ccc(c2nc(CN3CCn4ccnc34)cs2)cc1	ZINC22_2325857839	300.354	REUZVIQYAQJOLP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059737
OCc1ccc(o1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977975	300.354	UDZNMWPSERLHFG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059738
s1c2c(CCC2)c(c1NS(=O)(=O)C(C)C#N)C(=O)O	PC-id_65552916	300.354	JRPUTESVMSJTAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059739
s1c2c(CCC2)c(c1NS(=O)(=O)CCC(=O)O)C#N	PC-id_43362169	300.354	NVEUYTPAOLRWLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059740
S(=O)(=O)(Nc1sc2c(CCC2)c1C#N)C(C)C(=O)O	PC-id_61455381	300.354	WVAQHTJTSOTGRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059741
c12CN(Cc1nn(C)c2CNC)C(=O)OCc1ccccc1	EMOLS-id_324351076,MCULE-7849482148	300.356	QIYACKDPOHVCNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059742
c12CN(Cc1nn(CC)c2CN)C(=O)OCc1ccccc1	MCULE-8651192548,EMOLS-id_324352096	300.356	MXWJVROZCMYRJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059743
c12CN(Cc1nn(C(C)C)c2N)C(=O)OCc1ccccc1	MCULE-4021600270,EMOLS-id_324338023	300.356	DJYPFIBDSYBBBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059744
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1c(C)noc1C	PC-id_77092578,EMOLS-id_49890795,MCULE-4943470793	300.356	XNDDGDLMSSLCAW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059745
c1(cc2n(C[C@@H](Oc3ccncc3)C2)n1)C(=O)N(C)C(C)C	EMOLS-id_316329777,MCULE-2056779216	300.356	HETDYOTWWYLZPY-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059746
c1(C(=O)NCc2ncc(c(OC)c2C)C)c2CCCc2n[nH]1	MCULE-7796798734,EMOLS-id_82728287,ZINC22_124333485,PC-id_119069189	300.356	CZZTWDKYKLSJKO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059747
c1(C(=O)N(CC)CC)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316323643,MCULE-3136925755	300.356	OHZBPORJKPCYOK-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059748
c1(C(=O)NCC(C)C)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-1209271365,EMOLS-id_316323132	300.356	WVTZJFMPTWBGPR-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059749
c1(C(=O)NCC(C)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316252667,MCULE-7840634497	300.356	KZHQEXQPOAXCOA-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059750
c1(C(=O)N(CC)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316253691,MCULE-6387847103	300.356	ZXOOKYJNRDQXMP-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059751
c1(C(=O)N(CC)CC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-3706991532	300.356	ZXOOKYJNRDQXMP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059752
c1(C(=O)NCC(C)C)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-9230201463	300.356	KZHQEXQPOAXCOA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059753
c1(C(=O)NCCCn2c(C)cccc2=O)c2CCCc2[nH]n1	EMOLS-id_49898975,ZINC22_216451887,MCULE-8913370376,PC-id_77097294	300.356	BRFQCCFFCQZAOF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059754
CC1CC(c2n1ncn2)NCc1cccc(c1)C1OCCO1	MCULE-5303876506,EMOLS-id_318681990	300.356	DLJIFSJZHONDMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059755
Cc1c(ccc(c1)NC(=O)C1c2c(CN1)[nH]nc2)OC(C)C	PC-id_136572220,MCULE-6710387120,EMOLS-id_317054727	300.356	FYHCYMUUVTVGJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059756
Cc1cccc(CN2Cc3nc(C(=O)NC(C)C)oc3C2)n1	ZINC22_96254360,PC-id_97515412,EMOLS-id_44366474	300.356	RNMJUVTWTOZELQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059757
Cc1ccc(o1)CN1Cc2c(C1)[nH]nc2C(=O)N1CCCC1	PC-id_97461972	300.356	WJLAPCGPRTYVRI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059758
Cc1ccc(OCC(=O)NCc2nnc3n2CCC3)cc1C	EMOLS-id_36627028,ZINC22_54905140,MCULE-2830710339,PC-id_52375816	300.356	LXCAOKGLQFIFJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059759
Cc1cc(NC(=O)[C@H]2NCc3n[nH]cc23)ccc1OC(C)C	ZINC22_1775985280	300.356	FYHCYMUUVTVGJP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059760
Cc1cc(NC(=O)[C@@H]2NCc3n[nH]cc23)ccc1OC(C)C	ZINC22_1775985281	300.356	FYHCYMUUVTVGJP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059761
Cc1nnc2CC(CNC(=O)COCc3ccccc3)Cn12	MCULE-7021770734,PC-id_137336226,EMOLS-id_317482650	300.356	HLIQIXVPCYTQSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059762
Cc1nnc2n1C[C@H](CNC(=O)COCc1ccccc1)C2	ZINC22_1772708457	300.356	HLIQIXVPCYTQSB-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059763
Cc1nnc2n1C[C@@H](CNC(=O)COCc1ccccc1)C2	ZINC22_1772708464	300.356	HLIQIXVPCYTQSB-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059764
Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_99946030,ZINC22_216085667	300.356	XNDDGDLMSSLCAW-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059765
Cc1noc(C)c1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_216085702,PC-id_99946031	300.356	XNDDGDLMSSLCAW-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059766
CCc1cccnc1CNC(=O)c1[nH]nc2c1COC2(C)C	ZINC22_1875297554	300.356	WNIMHNKWFZHMFW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059767
CCc1nc(O)c(cc1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318889930	300.356	BOVMBHIIDYNCSY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059768
CCc1nc(O)c(cc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319587558	300.356	XWCFZKPXOXENGF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059769
CCCc1cc(cc(=O)[nH]1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319842953,MCULE-4007121082	300.356	BJFLANGBWQRGBO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059770
CC(C)c1ccc(O)c(C(=O)NCc2nnc3n2CCC3)c1	ZINC22_58341811,EMOLS-id_32152373,MCULE-3204928036,PC-id_51102822	300.356	SLGFINLIIMZSQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059771
CC(CNC(=O)c1nn2c(c1)CC(C2)Oc1cccnc1)C	MCULE-7154246454	300.356	WVTZJFMPTWBGPR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059772
CCCOc1ccc(c(c1)C)NC(=O)N1CCn2c1ncc2	EMOLS-id_318564529	300.356	UXYMOYSVHHRNRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059773
CC(C)Oc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	CoCoCo_4560440,MCULE-5700039624,PC-id_17538617,ZINC22_12777761,EMOLS-id_16792755	300.356	WNGLUBBOEKHACQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059774
CCCOc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	PC-id_24236722,EMOLS-id_17175580,MCULE-3838357960,CoCoCo_4474349,ZINC22_12786967	300.356	CVBDODMERSLAKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059775
C[C@H](Oc1ccccc1)C(=O)NCCc1nnc2n1CCC2	ZINC22_42502797,PC-id_93867615	300.356	YOQFJGXAHQPVCN-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059776
C[C@@H](Oc1ccccc1)C(=O)NCCc1nnc2n1CCC2	ZINC22_42502800,PC-id_93867616	300.356	YOQFJGXAHQPVCN-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059777
C[C@H](OCc1ccccc1)C(=O)NCc1nnc2n1CCC2	PC-id_93613996,CoCoCo_4860538,ZINC22_40514053	300.356	SQKBIMHADSOQBX-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059778
C[C@@H](OCc1ccccc1)C(=O)NCc1nnc2n1CCC2	PC-id_93613997,ZINC22_40514054,CoCoCo_4860537	300.356	SQKBIMHADSOQBX-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059779
CCN(C(=O)c1cccc(c1)OCc1nnc2n1CCC2)C	EMOLS-id_319500101	300.356	GBEIKESWGDCNPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059780
CCNC(=O)c1cccc(c1OCc1nnc2n1CCC2)C	MCULE-3715478599,EMOLS-id_320066059	300.356	JWSUIHZSIHLQEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059781
CC(NC(=O)C1NCc2c1c[nH]n2)CCc1ccc(cc1)O	EMOLS-id_319023214	300.356	PCRJBMIPGXAASQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059782
CCN(C(=O)c1nn2c(c1)CC(C2)Oc1cccnc1)CC	MCULE-9421168322	300.356	OHZBPORJKPCYOK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059783
CC(N(C(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)C)C	MCULE-8129788292	300.356	HETDYOTWWYLZPY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059784
CC(Oc1ccc(cc1)C)CNC(=O)C1NCc2c1c[nH]n2	MCULE-4306277113,EMOLS-id_320100157	300.356	AGRKGJNCICXJAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059785
CCOc1ccc(cc1)CN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318851949	300.356	PBIHEURPAOLPAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059786
CC(Oc1cccc(c1)CNC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319149167	300.356	AXYFAGOFGKFUSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059787
CCOc1cccc(c1)C(NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319282374	300.356	AJMZOPHZLGUSKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059788
CC(Oc1ccc(cc1C)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318393299	300.356	FZTQNISDUWIKNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059789
CC(Oc1cc(ccc1C)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318499249	300.356	BSDYAKSEGPOKJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059790
CC(Oc1ccc(c(c1)C)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318608888	300.356	OVEVCYZOQSMJBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059791
CCOc1cccc(CC(=O)Nc2c3c(nn2C)CCC3)n1	MCULE-8121764536,PC-id_136539534,ZINC22_797839650,EMOLS-id_316824374	300.356	OJFNTOMEALMOEL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059792
CC(Oc1ccc(cn1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319667220	300.356	BVNWZPLTHDJDGH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059793
CC(Oc1cncc(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319352742	300.356	RMFWMLSRAFWCMD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059794
CC(Oc1cncc(c1)C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-4589483350,EMOLS-id_320234604	300.356	NZIFXWDCKVPYQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059795
CC(Oc1nccc(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319227920	300.356	YLYRLOVIHJDJJX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059796
CC(Oc1ncccc1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319686440	300.356	AUOAYHWWCKYXRB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059797
CCOc1nc(C)ccc1C(=O)Nc1c2c(nn1C)CCC2	MCULE-8397744457,EMOLS-id_320346181,ZINC22_276764906,PC-id_139008775	300.356	MYNXENBIQCSYEH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059798
CCOc1nc(C)ccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318835216	300.356	MXSVFNNKHLVRNC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059799
CN1Cc2c(C1)[nH]nc2C(=O)N(C)CCOc1ccccc1	SCHEMBL20033615,PC-id_134402278	300.356	RFTRQHLQHMYZHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059800
Cn1cccc1C1COCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_86794082,EMOLS-id_49944510,MCULE-2383452627	300.356	MYWNJVFLANAMBC-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-059801
Cn1cccc1[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_97379380,PC-id_97882292	300.356	MYWNJVFLANAMBC-AWEZNQCLSA-N	00000010110010000001100010000000000000000000000000000000	25-01-059802
Cn1cccc1[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_97379381,PC-id_97882293	300.356	MYWNJVFLANAMBC-CQSZACIVSA-N	00000010110010000001100010000000000000000000000000000000	25-01-059803
Cn1nc(CN2CCCC2=O)c2c1CN(Cc1ccco1)C2	EMOLS-id_44369740,ZINC22_96259096,PC-id_97519186	300.356	HQBYISBPKZUJAH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059804
Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1ccco1)C2	ZINC22_96187539,PC-id_97461997,EMOLS-id_44325369	300.356	FSGBRBUKYNTDHX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059805
CN(C)C(CNC(=O)c1nn2CCOc2c1)c1ccccc1	PC-id_91959826	300.356	YKTKDZQBGKGOPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059806
CNC(=O)c1ccc(c(c1)NCc1cnc2n1CCC2)OC	EMOLS-id_318392834	300.356	OBPWWKUJAPHFAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059807
CN(C(=O)c1ccc(c(c1)OCc1nnc2n1CCC2)C)C	EMOLS-id_319119591	300.356	JUBYKXMOCIIBCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059808
COc1cccc(c1)CNC(=O)C(N1CCn2c1ncc2)C	MCULE-9318621132,EMOLS-id_316982431	300.356	RJGBZIPJJUOZOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059809
COc1ccc(cc1)CN(C(=O)NC1CCn2c1ncc2)C	EMOLS-id_319972990,MCULE-1554683274	300.356	JHQBNHCYWZWKFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059810
COc1ccccc1NCC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318294794	300.356	TVPWNOYUVJANEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059811
COc1ccc(C)cc1CC(=O)NCc1nnc2n1CCC2	MCULE-4772475532,EMOLS-id_31363375,PC-id_47016900,ZINC22_58493505	300.356	DJEMOXAIOKVNPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059812
COc1cccc(CNC(=O)[C@@H](C)N2CCn3ccnc23)c1	ZINC22_931527077	300.356	RJGBZIPJJUOZOC-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059813
COc1cccc(CNC(=O)[C@H](C)N2CCn3ccnc23)c1	ZINC22_931527078	300.356	RJGBZIPJJUOZOC-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059814
COc1ccc(cn1)CCC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_278126089	300.356	KAAROTIVDKDVCP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059815
COc1ccc(CN2Cc3[nH]nc(C(=O)N(C)C)c3C2)cc1	EMOLS-id_46187080,ZINC22_96089085,PC-id_97408299	300.356	AYKALTLKVGDFNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059816
COc1nc(C)cc(C)c1CNC(=O)c1n[nH]c2c1CCC2	ZINC22_589584812,EMOLS-id_316836687,MCULE-4864896845	300.356	XDSBPTVCYSHRIH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059817
COCc1cccc(c1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_31936136,PC-id_45819114,MCULE-4017546105	300.356	SRCYQWMNDJNYDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059818
COCc1cccc(C(=O)N[C@H](C)c2nnc3n2CCC3)c1	PC-id_94024418,ZINC22_44934508	300.356	SRCYQWMNDJNYDO-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059819
COCc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)c1	ZINC22_44934505,PC-id_94024417	300.356	SRCYQWMNDJNYDO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-059820
COCc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1	MCULE-8389747713,ZINC22_40523042,PC-id_45819265,EMOLS-id_31936716,CoCoCo_4880100	300.356	HMEGNAOXBYESLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059821
COC(=O)N(c1ccc(cc1)NCc1cnc2n1CCC2)C	MCULE-2052303321,EMOLS-id_318431945	300.356	BZPVHAWCYXUDGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059822
COC(=O)N(Cc1ccc(cc1)NC1CCn2c1ncc2)C	MCULE-7053782180,EMOLS-id_318733645	300.356	DGGJMAJHWBMDAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059823
Oc1cccc(c1)C(C(=O)NC1CC(n2c1ncn2)C)(C)C	EMOLS-id_319906897,MCULE-5626278352	300.356	WBHGHXPPHVBVFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059824
Oc1cc(cc(n1)C(C)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319042727	300.356	LFWMPMMVOWILPX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059825
O=C(c1cnc2n1CCC2)Nc1cnccc1OC(C)(C)C	EMOLS-id_318644457	300.356	FPLAYVLAGZMOFI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059826
O=C(c1cnn2c1CCC2)Nc1cnccc1OC(C)(C)C	EMOLS-id_318501191	300.356	FZRFJSHMBPMSSC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059827
O=C(C1NCc2c1c[nH]n2)Nc1cc(ccc1O)C(C)(C)C	MCULE-9407189633,EMOLS-id_320024897	300.356	BPNPSFWAOKZWTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059828
O=C(C1NCc2c1c[nH]n2)Nc1cc(C(C)C)c(cc1C)O	EMOLS-id_319270531	300.356	FIUBKVRDEKEIPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059829
O=C(C1NCc2c1c[nH]n2)N(CCOc1ccccc1C)C	MCULE-2629246841,EMOLS-id_320047335	300.356	AMSKQVNHGZDMAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059830
O=C(c1[nH]c2c(c1)CCC2)N1CCC(CC1)Cc1ncon1	EMOLS-id_319550083	300.356	FAWJTDKCFDYYEQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059831
O=C(c1[nH]c2c(c1)CCC2)N1CCN(CC1)Cc1ncoc1	EMOLS-id_320114469,MCULE-4917958358	300.356	AWNXXCKGFMAFHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059832
O=C(c1nn2c(c1)CCC2)Nc1cnccc1OC(C)(C)C	EMOLS-id_318594165	300.356	DDDLDKSZICNXBH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059833
O=C(c1oc(nc1C)CC1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_100185837	300.356	VTWOMQUZKWVRSM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-059834
O=C(C(c1ccccc1)(C)C)NOCc1nnc2n1CCC2	EMOLS-id_319992179,MCULE-9178634387	300.356	QMDNGFZQAVJSEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059835
O=C(C(C)C)Nc1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_319686434	300.356	WBUGPDHLKMFZLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059836
O=C(C(C)C)Nc1cccc(c1)OCc1nnc2n1CCC2	EMOLS-id_319732420	300.356	JWPHMIHDRHKJBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059837
O=C(CN1Cc2cnn(CCO)c2C1)NCc1ccccc1	EMOLS-id_55605928,MCULE-9635853319,PC-id_91828995,ZINC22_244718892	300.356	LSVMRJKULPUDEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059838
OCCN(c1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2)C	PC-id_109989784	300.356	LMWKGVORSDUGNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059839
O=C(C(Oc1ccccc1)C)NCCc1nnc2n1CCC2	MCULE-9276593583,PC-id_53517598,EMOLS-id_35706192	300.356	YOQFJGXAHQPVCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059840
O=C(C(OCc1ccccc1)C)NCc1nnc2n1CCC2	MCULE-3658373549,PC-id_45816169,EMOLS-id_31917510	300.356	SQKBIMHADSOQBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059841
O=C(N1Cc2c(C1)cnn2C)c1ccc(o1)CN1CCCC1	EMOLS-id_320029272,MCULE-2277509134	300.356	XJPVUJNGDYJFRY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-059842
O=C(N1CCn2c1ccn2)c1ccc(o1)CN1CCCCC1	MCULE-1617825177,EMOLS-id_319918506	300.356	QGQPZXXLNKKMGF-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-059843
O=C(N1CCn2c1ncc2)c1ccc(o1)CN1CCCCC1	MCULE-4835309104,EMOLS-id_319816133	300.356	VYDZKBSLAOSITM-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-059844
O=C(N1CCn2c1ncc2)Nc1ccccc1OC(C)(C)C	EMOLS-id_320086292,MCULE-4114625454	300.356	BGMJKTZMPDFZGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059845
O=C(N(Cc1n2CCCc2nn1)C)c1c(OCC)cccc1	PC-id_60361004	300.356	OAEBRVYZZXZOJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059846
O=C(NCc1n2CCCc2nn1)CCc1ccc(OC)cc1	PC-id_52024818	300.356	MRFPRKIMHUUOEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059847
O=C(N(Cc1nnc2n1CCC2)C)[C@H](Cc1ccccc1)O	EMOLS-id_318322694	300.356	GPTAFPBQOKYQRD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059848
s1c2CCCc2c(c1NC(=O)C[n+]1cc(O)ccc1)C#N	PC-id_8773434	300.356	DRFJVITZRKKHJU-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-059849
OCc1cn[nH]c1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977978	300.357	JKIHHBUNYVWQAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059850
P1(=O)(O)C(N(C(C)C)C(C)C)Cn2c1[n+](c(c2C)C)C	PC-id_5231387	300.357	QFWJTAURBDLBIW-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-059851
c1(CN2CCC(COc3cnccn3)C2)nnc2CCCn12	EMOLS-id_337725125,MCULE-3777374940	300.359	DAVUZTAUTCIKMP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059852
Cc1cc(C)c(c(n1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319659701	300.359	TTYQDLGXKFBRGZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059853
Cc1[nH]nc(n1)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110877714	300.359	MYDXMDNXWSABOQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059854
Cc1nn(c(c1NC(=O)c1cnn2c1CCC2)N1CCC1)C	EMOLS-id_320308125,MCULE-7254993188	300.359	DNRPRUAXWSOBNO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-059855
Cc1nn(c(c1NC(=O)c1n[nH]c2c1CCC2)N1CCC1)C	EMOLS-id_316575163	300.359	FJTMONNHWBPPMV-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-059856
C#CCCC1(CCNC(=O)[C@@]2(C)CCn3c(C)nnc23)N=N1	ZINC22_2325891625	300.359	RIQCMDOOOQWIPA-AWEZNQCLSA-N	00110010100000000001000010000000000000000000000000000000	25-01-059857
C#CCCC1(CCNC(=O)[C@]2(C)CCn3c(C)nnc23)N=N1	ZINC22_2325891626	300.359	RIQCMDOOOQWIPA-CQSZACIVSA-N	00110010100000000001000010000000000000000000000000000000	25-01-059858
C#CCCC1(CCNC(=O)c2c(CN)nn3c2CCC3)N=N1	ZINC22_2325900766	300.359	IOSQAUWCNHMETJ-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-059859
C[C@H](NC(=O)c1ccnc(N(C)C)c1)c1nnc2n1CCC2	PC-id_94166708,ZINC22_48129596	300.359	NSUWPACLZXANNB-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-059860
C[C@@H](NC(=O)c1ccnc(N(C)C)c1)c1nnc2n1CCC2	PC-id_94166709,ZINC22_48129597	300.359	NSUWPACLZXANNB-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059861
CCn1nc(c(c1)C(=O)NC1CC(n2c1ncn2)C)C1CC1	EMOLS-id_316633904	300.359	NTERHOCYBOYTRS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059862
CCNc1nccc(c1)CNC(=O)NC1CCn2c1ncc2	EMOLS-id_319268826	300.359	GEMWXYNIUPLQAE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059863
CC(Nc1nnccc1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318979210	300.359	VLEPMPBWNLDMGG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059864
CN1CCCC1c1n[nH]c(c1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316506311	300.359	OVYSGWNZXUGFDH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059865
CN1CCCC1c1n[nH]c(c1)C(=O)NC1CCn2c1ncc2	EMOLS-id_258006707	300.359	PUFMDNZTMSYOMB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059866
Cn1cc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)cn1	EMOLS-id_49080185,MCULE-9245053158,ZINC22_74396245,PC-id_84585434	300.359	FMUOQMJXPDPEEX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059867
Cn1ccnc1[C@H]1CNCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_261749523	300.359	PARCGOSJYSVINJ-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059868
Cn1ccnc1[C@@H]1CNCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_261749528	300.359	PARCGOSJYSVINJ-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059869
CN1CCN(CC1c1ncc[nH]1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316073139,MCULE-7074330357	300.359	UCEXVDOFCRDVMK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059870
CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1ncc[nH]1	ZINC22_328634526	300.359	UCEXVDOFCRDVMK-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059871
CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1ncc[nH]1	ZINC22_328634527	300.359	UCEXVDOFCRDVMK-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059872
CN(c1nccc(n1)CN(C(=O)c1nc2n(c1)CCC2)C)C	MCULE-6944306322,EMOLS-id_316913837	300.359	ARCLJVTUKGPYPO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-059873
CN(Cc1nnc2n1CCC2)C(=O)c1ccnc(N(C)C)c1	EMOLS-id_35713476,PC-id_53500297,ZINC22_65398778,MCULE-4658392581	300.359	DYRINDZZQIMRJG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059874
CN(CC(=O)NCc1nnc2CCCn12)Cc1ccncc1	EMOLS-id_50537091,ZINC22_220374340,PC-id_90650412,MCULE-7408540841	300.359	YRDRGSPPJFBRSD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059875
COCc1ccccc1NC(=NCc1nnc2n1CCC2)N	PC-id_119163629	300.359	YHPBUMDBJWDHMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059876
O=C(c1cc2c([nH]1)CCC2)N1CCCC[C@@H]1Cc1nn[nH]n1	ZINC22_1875286129	300.359	MMVLFVKWANGCJJ-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059877
O=C(c1cc2c([nH]1)CCC2)N1CCCC[C@H]1Cc1nn[nH]n1	ZINC22_1875286131	300.359	MMVLFVKWANGCJJ-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-059878
O=C(C1(CCC1)Cc1cnn[nH]1)NC1CC(n2c1ncc2)C	EMOLS-id_318823224	300.359	AFSGIRAFGQETDD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059879
O=C(C1(CCC1)Cc1cnn[nH]1)Nc1n(C)nc2c1CCC2	EMOLS-id_318899679	300.359	ZNMUCMHZSJKBQL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059880
O=C(C1(CCC1)Cc1cnn[nH]1)NCc1cnc2n1CCC2	EMOLS-id_320010018,MCULE-3269664734	300.359	SLQQOYQKEDGZNB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059881
O=C(C1(CCC1)Cc1cnn[nH]1)NCc1nn2c(c1)CCC2	EMOLS-id_320089429,MCULE-8134240502	300.359	ALRVRGYGBHYLKH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059882
O=C(C1(CCC1)Cc1cnn[nH]1)NCc1n[nH]c2c1CCC2	EMOLS-id_319017608	300.359	PFTXSLUUBZKZSY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059883
O=C(c1ccnc(c1)N(C)C)NC(c1nnc2n1CCC2)C	MCULE-8107668079,PC-id_53532968,EMOLS-id_36636361	300.359	NSUWPACLZXANNB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-059884
O=C(c1cnn2c1CCC2)N1CCCC(CC1)n1ccnn1	MCULE-9955934263,EMOLS-id_316432176	300.359	LSJUCDBKVBMRSO-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-059885
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)c1[nH]nc(c1)C	EMOLS-id_319791879	300.359	CFVREIODMNQMLW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059886
O=C(C1NCc2c1c[nH]n2)Nc1cnn(c1C)C1CCCC1	EMOLS-id_318791417	300.359	XBBUYESLBGNJMZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-059887
O=C(C1NCc2c1c[nH]n2)Nc1n[nH]c(c1)C1CCCCC1	EMOLS-id_319325551	300.359	KPODURKGSOWFLK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059888
O=C(c1n(C)nc2c1CCC2)N[C@@H]1C[C@H](C1)Cn1cncn1	EMOLS-id_318833977	300.359	KOEQWKMZQFUZSR-XYPYZODXSA-N	00001010100000000001000010000000000000000000000000000000	25-01-059889
O=C(c1n[nH]c2c1CCC2)N1CCCC(CC1)n1ccnn1	EMOLS-id_316661758	300.359	UJBLUNOHKPTXBA-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-059890
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)c1nccn1C	EMOLS-id_100974358	300.359	GSLNPDVUTKWBDT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059891
O=C(c1n[nH]c2c1CCC2)N1CCNCC1c1nccn1C	PC-id_120879662,MCULE-8232401838,EMOLS-id_302851761	300.359	PARCGOSJYSVINJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059892
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1ncc[nH]1	EMOLS-id_99071429	300.359	VVEQBLAWWOCIOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059893
O=C(c1n[nH]c2c1CCC2)Nc1ncn(n1)C1CCCCC1	EMOLS-id_111034867	300.359	FHJRHPHFRLLHDR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-059894
O=C(Cc1nc(nn1C)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319165396	300.359	IHJNETMOXNHJAK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059895
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1N(C)C	EMOLS-id_319221624	300.359	ICKLGJADTMUAGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059896
O=C(Nc1cn(nc1C1CC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_319441908	300.359	YYCVYWBUJCAGPQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-059897
O=C(NCc1n2CCCc2nn1)Nc1ccc(N(C)C)cc1	PC-id_60447222	300.359	SABJDOMUQUQYPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059898
O=C(/N=C/N(C)C)c1c2n(CCC2)c(c1/N=C/N(C)C)C#N	PC-id_7203859	300.359	ZJDDXEHBRBSHGO-BEQMOXJMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059899
CCn1nc(c(c1N(/N=C
/C(=Nn2c1nc(n2)C)C)C)C)C	SCHEMBL12910475,PC-id_58113657	300.362	ZFTIGPSFMAYMQK-UNOMPAQXSA-N	00000011100000000001000010000000000000000000000000000000	25-01-059900
CCn1nc(c(c1N(/N=C
/C(=Nn2c1nnc2C)C)C)C)C	PC-id_58090604,SCHEMBL12052252	300.362	HRTKYOQSYBGHJT-UNOMPAQXSA-N	00000011100000000001000010000000000000000000000000000000	25-01-059901
n12CCCc1nnc2CNc1cc(C2CC(C2)N)nc(N)n1	EMOLS-id_302102635,MCULE-8372865578,ZINC22_219119974,PC-id_91768003	300.362	BEMVSNZRGYTVES-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-059902
n12CCCc1nnc2CNc1cc([C@H]2C[C@H](C2)N)nc(N)n1	MCULE-8450735611,EMOLS-id_55641744,ZINC22_243901834	300.362	BEMVSNZRGYTVES-DTORHVGOSA-N	00001010100000100001100010000000000000000000000000000000	25-01-059903
n1(nc(c(c1N(N=C1c2n(N=C1C)c(nn2)C)C)C)C)CC	PC-id_76663831	300.362	HRTKYOQSYBGHJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-059904
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCF	EMOLS-id_186657293,MCULE-7225233981	300.372	ZFWVSBUXGNWCAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-059905
CCc1sc2c(c1C(=O)c1ccccc1)CCC2C(=O)O	SCHEMBL10739768,PC-id_13588832	300.372	UBAMDBUMKBVJEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059906
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccccc1	CoCoCo_2840796,PC-id_26207515,ZINC22_14704748	300.372	UGIGQPHWVLWVSS-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059907
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccccc1	ZINC22_14704749,CoCoCo_2840795,PC-id_26207516	300.372	UGIGQPHWVLWVSS-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-059908
O=C(c1sc2c(c1)CCC2)OC(C(=O)c1ccccc1)C	MCULE-1718512879,EMOLS-id_43696726,PC-id_16577434	300.372	UGIGQPHWVLWVSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059909
OC(=O)C1CCc2c1sc(c2C(=O)c1ccc(cc1)C)C	PC-id_13588817,SCHEMBL10745285	300.372	NGTMTSYQYDGHEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059910
OC(=O)C1CCc2c1sc(c2C(=O)c1ccccc1C)C	PC-id_13588826,SCHEMBL10742690	300.372	IHHZVGRCERPHLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059911
OC(=O)C1CCc2c1sc(c2C(=O)c1cccc(c1)C)C	SCHEMBL10745990,PC-id_13588822	300.372	LTRRXRXVFNGYIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059912
OC(=O)CC1CCc2c1sc(c2C(=O)c1ccccc1)C	SCHEMBL10742488,PC-id_20213624	300.372	JPXYHWSJSMIKMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059913
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(cc1)C	PC-id_45637984	300.372	IFFMGWHRQVOKLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059914
CC1CC(c2n1ncn2)NCC1(CCC1)c1ccc(cc1)F	MCULE-5698829608,EMOLS-id_318551827	300.374	OKAHPFIQIZKBNP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059915
COCCN(c1nc2c(s1)CCC2C(=O)O)CCOC	PC-id_104288431	300.374	HBTKNMRCUTUPRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059916
COCCOCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_105685770	300.374	NOTYRVFSZPXKGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059917
Fc1cccc(c1)C1(CCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_318522827,MCULE-7849393292	300.374	SGGBNYISHWHYTM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059918
Fc1ccccc1C1(CCC1)CNC1CC(n2c1ncn2)C	MCULE-4335268907,EMOLS-id_318378925	300.374	KPHVOXVXRLYJQT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-059919
Fc1ccccc1C1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318453205	300.374	BHZDSYQCFOPMPU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059920
Fc1ccc(cc1)C1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318661733	300.374	LGQANDGUJPBPSQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059921
Fc1cccc(c1)C1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318683969	300.374	QSSZEPOQQKZIQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059922
Fc1ccc(cc1)C1CCC(C1)NCc1nnc2n1CCC2	EMOLS-id_318641522,MCULE-2434917451	300.374	MSLZNWGRZQQANG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059923
Fc1cccc(c1)C1CNCCN1Cc1nn2c(c1)CCC2	EMOLS-id_318290453,MCULE-5247008846	300.374	FSSIBLXDWZRLNC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-059924
Fc1ccc(cc1)C(C1CCC1)NC1CC(n2c1ncn2)C	EMOLS-id_318499312,MCULE-5457415789	300.374	NSBXAODYXPUSAG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-059925
Fc1ccc(cc1C)C(C1CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318577979,MCULE-7411058346	300.374	DXNKVZBPTXMPTH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-059926
Fc1ccc(cc1)[C@@H]1CCNC[C@@H]1NC1CCn2c1ncc2	EMOLS-id_319282390	300.374	YQAYRDVUTZWXSB-AQOJYXMDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-059927
Fc1cccc(c1)[C@@H]1CCNC[C@@H]1NC1CCn2c1ncc2	EMOLS-id_319364268	300.374	PQXZSATZODZZQM-AQOJYXMDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-059928
Fc1cccc(c1)[C@@H]1CN(C[C@H]1N)Cc1cc2n(n1)CCC2	EMOLS-id_320236697,MCULE-9739327036	300.374	CSJOFTIUGFEGOZ-DLBZAZTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-059929
Fc1ccc(cc1)N1CCC(C1)CNC1CCn2c1ncc2	EMOLS-id_318091065,MCULE-9836261286	300.374	PRBINRASDAHGKE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059930
Fc1ccccc1N1CCC(C1)CNC1CCn2c1ncc2	MCULE-5216250609,EMOLS-id_318033994	300.374	QCCXBNCZDFCBDE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059931
Fc1ccccc1N1CCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318084351	300.374	JFQOROIRHZMMMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059932
Fc1ccccc1N1CCC(C1)NCc1cnc2n1CCC2	MCULE-6845503412,EMOLS-id_318171393	300.374	KRGQQIMBYKMQNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059933
Fc1cccc(c1)N1CCCC(C1)NC1CCn2c1ncc2	EMOLS-id_318012819	300.374	OCTGIDPQDJPUKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-059934
Fc1ccccc1N1CCCC(C1)NC1CCn2c1ncc2	EMOLS-id_318116241	300.374	IXXTVFZUIJHGTI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-059935
Fc1cccc(c1)N1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_318820114	300.374	ALWCVKWYYGMICJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-059936
Fc1cccc(c1NCc1cnc2n1CCC2)N1CCCC1	MCULE-1952992395,EMOLS-id_318132654	300.374	LGMHJZQIYFVAAI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059937
N[C@@H]1CN(C[C@H]1c1ccccc1F)Cc1cc2n(n1)CCC2	EMOLS-id_318772265,MCULE-1744741584	300.374	VRGMXDFIIQQHGW-DOTOQJQBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-059938
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccccc1	PC-id_681639,EMOLS-id_8834740,MCULE-1281791805,CoCoCo_5965865	300.375	JKMYGXNSVNYXIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059939
C1CC(OC1)Cc1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	PC-id_91358789	300.375	ZTRQLQLZFIIXLK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-059940
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)N	PC-id_959575,CoCoCo_6449726,ZINC22_568612,SCHEMBL8289414,EMOLS-id_3990968,SPECS-id_AN-153/I293177,MCULE-3400170957,SPECS-id_AG-690/11665212,TIMTEC544375	300.375	XFDJPSWQHAHQAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059941
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_2898519,SPECS-id_AE-848/36315059,MCULE-4772178395,ZINC22_1510361,SPECS-id_AN-153/KC13198,PC-id_1548164	300.375	KQICXWMEBDEGHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059942
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)n1	PC-id_4408510,MCULE-3580679281	300.375	IPSQMCWTTWFFCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059943
c1(NC(=O)C=Cc2cccc(OC)c2)sc2c(CCC2)n1	MCULE-7466809306	300.375	RFOKMFLORCMCMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059944
c1(NC(=O)CCC(=O)c2ccccc2)sc2c(CCC2)n1	MCULE-9805180896,PC-id_33039159,EMOLS-id_181475852	300.375	IFDPTZUWRCVMCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059945
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218614,ZINC22_1509767,MCULE-7336015538,EMOLS-id_43812108,PC-id_1548117,CK1543444	300.375	XJFJZRVMAYFTGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059946
Cc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)N	ZINC22_568609,MCULE-3587266802,PC-id_959573,CoCoCo_3218606,EMOLS-id_3990942	300.375	ZSPMLHNDNPOUBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059947
Cc1ccc(cc1)C(=O)NNC(=O)c1cc2c(s1)CCC2	EMOLS-id_3381641,PC-id_4783998,CoCoCo_3291478,MCULE-2485292045	300.375	QPMVGQDFLFZMBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059948
C(=C
/CCC(=O)CC1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6574804845,EMOLS-id_328157074	300.375	VNXRWNCCGFMMLW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-059949
C/C(=NNC(=O)c1cc2c(s1)CCC2)/c1ccc(cc1)O	PC-id_135749595	300.375	ZSCPOFIZDVZDCW-LICLKQGHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059950
CC(=O)N1Cc2c(sc(c2C(=O)c2ccc(C)cc2)N)C1	PC-id_75454466,ZINC22_95882070,EMOLS-id_48597425,MCULE-7407446487	300.375	RHOHDHKHUCFFBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059951
CC(=O)Nc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_24230412,EMOLS-id_257845381,MCULE-1448641940,CoCoCo_3230490	300.375	WAYDQHNFALIBBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059952
CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	CoCoCo_3265407,PC-id_17391309,MCULE-2876920550,EMOLS-id_15244802,ZINC22_13137572	300.375	HAYSDHLJOCJMRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059953
CN(C(=O)c1cc2c(s1)CCC2)c1ccc(C(=O)N)cc1	PC-id_71939163,EMOLS-id_44499130,ZINC22_83868048,MCULE-4750076874	300.375	QIDQIDURDRBDNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059954
CNC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	EMOLS-id_177235936,ZINC22_193284957,MCULE-7604882198	300.375	FSPOSCJBPNKIHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059955
CNC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_14939032,MCULE-9137847665,EMOLS-id_177214452	300.375	LFLMZOUNGKSEOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059956
CNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2	MCULE-1211376523,CoCoCo_2590238,EMOLS-id_16349071,PC-id_7190285,ChEMBL-DNDi_CHEMBLF1830-0002	300.375	ISMMKXPVECTURI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059957
CN(C(=O)c1sc2c(c1)N(CC2)C(=O)c1ccccc1)C	PC-id_97524479	300.375	VDPSCYIHDVYMJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059958
COc1cccc(/C=C/C(=O)Nc2nc3CCCc3s2)c1	EMOLS-id_181475309,PC-id_84559556	300.375	RFOKMFLORCMCMZ-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059959
COc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	PC-id_6092823,EMOLS-id_334660564	300.375	IPSQMCWTTWFFCK-JXMROGBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-059960
N#CCCN(C(=O)c1sc2c(c1)CCC2)Cc1ccco1	PC-id_86978225	300.375	LSKFXEIWYMRHGG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-059961
NC(=O)c1cccc(CNC(=O)c2cc3c(s2)CCC3)c1	PC-id_33095601,ZINC22_25818600,EMOLS-id_44494486,MCULE-3382567181	300.375	JMQSYUCFRJRHIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059962
Oc1ccc(cc1)C1(CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319321751	300.375	ARTSFHUIUVPQAZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059963
OC(=O)C1CCc2c1nc(s2)NC1CC1c1ccccc1	PC-id_104288237	300.375	OINHDBYSGYWFSH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-059964
OC(=O)C1CCc2c1nc(s2)NCC1Cc2c1cccc2	PC-id_104289009	300.375	QVBWCGUEOFPIOD-UHFFFAOYSA-N	00001010100000100001001010000000000000000000000000000000	25-01-059965
s1c2CCCc2cc1C(=O)Nc1c(c(ccc1)C)C(=O)N	PC-id_78892507	300.375	JCKFCQSVHXDNSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059966
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)/C(=N/O)/C	PC-id_43185494	300.375	XHESIWXPSSEFOD-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059967
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)/C(=N/O)/C	PC-id_43185508	300.375	CFZAUNPLIGJRAG-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059968
s1c2CCCc2cc1C(=O)Nc1c(cccc1)/C(=N/O)/C	PC-id_43185522	300.375	BZFYKQYDFDMNGJ-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059969
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=NO)C	PC-id_74865914	300.375	XHESIWXPSSEFOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059970
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C(=NO)C	PC-id_74865928	300.375	CFZAUNPLIGJRAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059971
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C(=NO)C	PC-id_74865942	300.375	BZFYKQYDFDMNGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059972
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C(=O)NC	PC-id_37035860	300.375	UXJDVDPPCHYLRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059973
s1c2CCCc2cc1C(=O)NCc1ccc(cc1)C(=O)N	PC-id_51152158	300.375	ZZNLAIBFJNQIAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059974
s1c2CCCc2cc1C(=O)NN/C(=C
/C=CC(=O)C=C1)/C	PC-id_9462457	300.375	JYDRRTKRQCSARF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-059975
s1c2CCCc2cc1C(=O)NN=Cc1ccc(OC)cc1	PC-id_85015487	300.375	LVXSRZJQPNKVDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059976
s1c2CCCc2cc1C(=O)NN=Cc1c(OC)cccc1	PC-id_85015533	300.375	WLNPJGXDVGEWJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059977
s1c2CCCc2cc1C(=O)NNC(=O)c1c(cccc1)C	PC-id_26872766	300.375	JITKCMCCXGMTEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059978
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(ccc1)C	PC-id_27684504	300.375	KEIUZHRPIKCJHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059979
s1c2c(CCC2)c(c1N=Cc1cccnc1)C(=O)OCC	PC-id_23822853	300.375	FWLYYONYTCEZED-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-059980
s1c2c(CCC2)c(c1N)C(=O)Nc1ccc(cc1)C(=O)C	PC-id_4778147	300.375	CYMHCZNVFAJUGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-059981
C[C@@H]1CCO[C@@H]1CS(=O)(=O)NCc1nnc2n1CCC2	EMOLS-id_319114384	300.377	NRZIZTSMKQBZBP-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059982
C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1c2c(nn1C)CCC2	ZINC22_285190896	300.377	KYANQEYJYSZOKE-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059983
C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1c2c(nn1C)CCC2	ZINC22_285190900	300.377	KYANQEYJYSZOKE-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059984
CNC(=O)[C@@H]1NCc2c1c(nn2S(=O)(=O)C)C(C)(C)C	PC-id_141411248	300.377	SDWFAIBNKSGSRH-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059985
OCCN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199097	300.377	QAODBARRDHUMPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059986
O=C(C(S(=O)(=O)Nc1n(C)nc2c1CCC2)C)N(C)C	MCULE-9103999100,EMOLS-id_323989236,PC-id_146084978	300.377	KYANQEYJYSZOKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059987
O=S(=O)(c1cnc2n1CCC2)NCCN1CCOCC1	EMOLS-id_100184409	300.377	YNVFTSDHALKXQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-059988
c1(C#N)c2CCCc2sc1NC(=O)c1c(C)n(nc1C)C	MCULE-5132819148,ZINC22_2778738,PC-id_4770061,TIMTEC291824,EMOLS-id_3991030	300.379	LPEQFRBKTDGZBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059989
c1(C(=O)N(C)Cc2[nH]nc3CCCc23)cc2c(ccs2)[nH]1	EMOLS-id_32433098,ZINC22_67964848,PC-id_50982520,MCULE-8464582099	300.379	KFGLAFZGQHTKFA-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-059990
c1(C(=O)NCCc2sc3c(CCC3)n2)cc(cn1C)C#N	PC-id_118762556,MCULE-7030693518,ZINC22_299757520,EMOLS-id_68873273	300.379	IQNULOJITCPCKO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-059991
c1(NC(=O)c2cnn(CC)c2C)sc2c(CCC2)c1C#N	ZINC22_2781701,PC-id_17020902,TIMTEC547756,EMOLS-id_3991024,CoCoCo_6580396,MCULE-2372285630	300.379	XIUSXYXQNDFJND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059992
c1(NC(=O)CCn2ccc(C)n2)sc2c(CCC2)c1C#N	ZINC22_2786717,EMOLS-id_3991026,MCULE-2992428092,PC-id_4774224	300.379	CHMKAMKZCOMURB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059993
Cc1ncc(c(n1)C1CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318445050	300.379	NTSXUOQNTGKHOM-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-059994
CCc1cc(n(n1)C)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318760006	300.379	OGYAGZRCOTXJQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-059995
CCc1nc2s/c(=Cc3ccc(cc3)N(C)C)/c(=O)n2n1	EMOLS-id_324841701	300.379	FHVWENSUTSEBCL-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059996
CCCCc1ccc(N/C=c/2sc3ncnn3c2=O)cc1	ZINC22_256055586,PC-id_117588286	300.379	MDJUVFHRCGNENJ-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-059997
CCN(CC)c1ccc(/C=c/2sc3ncnn3c2=O)cc1	ChEMBL-DNDi_CHEMBL5629-0559,EMOLS-id_9063232,ZINC22_12580249	300.379	VEEKQWLHUGCTRP-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-059998
CCN(CC)c1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_208334	300.379	VEEKQWLHUGCTRP-UKTHLTGXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-059999
C(=O)(c1c2CCCc2[nH]n1)NN=Cc1ccc(SC)cc1	PC-id_3253534,MCULE-2119501555	300.379	LEUQXDFQHKEYLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060000
CSc1ccc(cc1)/C=N/NC(=O)c1n[nH]c2c1CCC2	PC-id_9661491,SPECS-id_AT-225/NB41765	300.379	LEUQXDFQHKEYLV-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060001
n12ncnc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O	EMOLS-id_300096317,MCULE-9249111832	300.379	VEEKQWLHUGCTRP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060002
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)CC	MCULE-7563948858	300.379	FHVWENSUTSEBCL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060003
n12ncnc1sc(=CNc1ccc(cc1)CCCC)c2=O	MCULE-4049763710	300.379	MDJUVFHRCGNENJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060004
Nc1nccc(n1)C1CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_320032695,MCULE-4369010356	300.379	BKRGQLWREKPYKT-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-060005
N#Cc1c(NC(=O)c2ccn(n2)C(C)C)sc2c1CCC2	EMOLS-id_318581448	300.379	ANLUOVCYQXQOKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060006
N#Cc1c(NC(=O)c2nn3c(c2)CCC3)sc(c1CC)C	EMOLS-id_318554236	300.379	BPIPSVORGXFMPT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060007
N#Cc1c(NC(=O)Cc2cnn(c2C)C)sc2c1CCC2	EMOLS-id_318376134	300.379	KKYQAWGSTNNXFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060008
N#Cc1c(NC(=O)C(c2cnn(c2)C)C)sc2c1CCC2	EMOLS-id_318465942	300.379	BNAUZBSUNKIGCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060009
N#Cc1cn(nc1NC(=O)c1sc2c(c1)CCC2)C(C)C	EMOLS-id_318377724	300.379	IINIVPXUVPLOMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060010
N#Cc1c(sc2c1CCC2)NC(=O)c1ccnn1C(C)C	EMOLS-id_318559498	300.379	RPWTUQOJZYETJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060011
N#Cc1c(sc2c1CCC2)NC(=O)C(n1ncc(c1)C)C	EMOLS-id_318595401	300.379	UGFAMTQGYYMMKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060012
O=C(c1cnc(nc1C)C1CC1)Nc1sc2c(n1)CCC2	EMOLS-id_318610823	300.379	NWQGYMAOSKPUHZ-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-060013
O=C(Nc1nc2c(s1)CCC2)c1ccnc(NC2CC2)c1	MCULE-2305596227,PC-id_51099004,EMOLS-id_33317847,ZINC22_58429826	300.379	WLVUBAPJHMOOSB-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-060014
s1c2CCCc2c(c1NC(=O)c1n(CC)cc(N)c1)C#N	PC-id_61116932	300.379	UEPCFPKYACFTTQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-060015
s1c2CCCc2c(c1NC(=O)c1n(nc(c1)C)CC)C#N	PC-id_49695822	300.379	XTZLVWWPWCXZPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060016
s1c2CCCc2c(c1NC(=O)c1nn(c(c1)C)CC)C#N	PC-id_49697402	300.379	BFJJKFCCVSOYCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060017
S1C(C(=O)n2c1nnc2C)C=Cc1ccc(N(C)C)cc1	PC-id_18891899	300.379	PQGHXQPTIZMTBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060018
S(=O)(=O)(N1CCNCC1)N(Cc1n2CCCc2nn1)C	PC-id_61252361	300.381	BSRSYAIKQARWJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060019
S(=O)(=O)(N1CCNCC1)NC(c1n2CCCc2nn1)C	PC-id_61254694	300.381	VXHUBHVQJYSHST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060020
CCSc1n/c(=Cc2ccc(cc2)N(C)C)/c2n1nnn2	CoCoCo_5772637,NSC706027,PC-id_5470882	300.382	NFRDQHVZRHNLSM-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060021
CCSc1n/c(=C/c2ccc(cc2)N(C)C)/c2n1nnn2	CoCoCo_5772638	300.382	NFRDQHVZRHNLSM-FMIVXFBMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060022
S(c1n2nnnc2c(=Cc2ccc(N(C)C)cc2)n1)CC	PC-id_397665	300.382	NFRDQHVZRHNLSM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060023
CCc1cn2c(n1)O[C@@H](C2)COc1ccc(cc1)C(C)(C)C	PC-id_140261719	300.395	VIVRVFGTZPRHBT-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060024
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1O	MCULE-7926572481,EMOLS-id_331009444	300.395	SIEBPWQIRJRSSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060025
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1O	MCULE-8905654363,EMOLS-id_331009956	300.395	IAWCSPTWMUNGTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060026
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2CO)cc1	EMOLS-id_330993330,MCULE-4243998586	300.395	QPEBLWOCHDZDIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060027
CCCOc1ccc(Cn2nc3CCC(C)c3c2CO)cc1	MCULE-2212915402,EMOLS-id_330993074	300.395	CXWDKPNCYHOSHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060028
CCCOc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1	EMOLS-id_331006200,MCULE-6730734371	300.395	LGHUIMXFOFFVSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060029
CC(C)Oc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1	MCULE-4070264540,EMOLS-id_331006456	300.395	VUSOEKQIMADCMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060030
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330992314,MCULE-1561444625	300.395	INBSYCDPJSQQIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060031
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330993596,MCULE-4411906631	300.395	ZLKRVCJPDMTFCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060032
CCOc1ccc(Cn2nc3CCC(C)c3c2CO)cc1C	MCULE-7082751979,EMOLS-id_330989747	300.395	MUKCHOKNQIMTQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060033
CCOc1ccc(Cn2nc3CCC(C)c3c2CO)c(C)c1	MCULE-5000738671,EMOLS-id_330991794	300.395	LKEJIRKMUFSHQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060034
CCOc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1C	EMOLS-id_331006968,MCULE-5274092132	300.395	WGDBCHYFGMXFTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060035
CCOc1ccc(Cn2nc(CO)c3C(C)CCc23)c(C)c1	EMOLS-id_331009015,MCULE-5245514548	300.395	UGMCTUXIGDTUDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060036
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330990778,MCULE-7794321091	300.395	IYNQDKSXZVYUFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060037
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1O	EMOLS-id_331008680,MCULE-1816291631	300.395	IEBJEUGSWPMOPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060038
COc1cc(C)c(Cn2nc3CCC(C)c3c2CO)cc1C	EMOLS-id_330992818,MCULE-5913347968	300.395	FRPNTHPAAJQFLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060039
COc1c(C)cc(Cn2nc3CCC(C)c3c2CO)cc1C	MCULE-7124915480,EMOLS-id_330993586	300.395	CXDLZWYBAOMLRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060040
COc1ccc(C(C)n2nc3CCC(C)c3c2CO)c(C)c1	MCULE-6599934110,EMOLS-id_330991034	300.395	XBCJRTNJPZXKHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060041
COc1cc(C)c(Cn2nc(CO)c3C(C)CCc23)cc1C	MCULE-4271074968,EMOLS-id_331010039	300.395	RGKAFGXPHBWZSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060042
COc1c(C)cc(Cn2nc(CO)c3C(C)CCc23)cc1C	MCULE-6463227999,EMOLS-id_331006712	300.395	SXWVASUDQYICCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060043
COc1ccc(Cn2nc3CCC(C)c3c2CO)c(C)c1C	MCULE-9117739984,EMOLS-id_330992562	300.395	LVJZSRJJWWEFGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060044
COc1ccc(Cn2nc(CO)c3C(C)CCc23)c(C)c1C	EMOLS-id_331009783,MCULE-5727596573	300.395	MEFOLLACASKDIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060045
O=C(c1[nH]c2c(c1)CCC2)NC1CCCC23C1CC2CCO3	EMOLS-id_318833568	300.395	HNRNFENYKXBBQI-UHFFFAOYSA-N	00001010100010000000000010000000000000000000000000000000	25-01-060046
c1(c2CCCc2sc1N)C(=O)NC1CCS(=O)(=O)C1	CHEMBL1537580,MS2_ST096524,MCULE-6540030301,BindingDB-id_61047,PC-id_650147,EMOLS-id_1478547,TIMTEC33853,BindingDB_PC-id_650147	300.397	VSYWXZHKEIDEDF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060047
Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2	CoCoCo_347164,PC-id_7224184,ZINC22_4400197	300.397	VSYWXZHKEIDEDF-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060048
Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2	PC-id_7224185,CoCoCo_347165,ZINC22_4400198	300.397	VSYWXZHKEIDEDF-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060049
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)N1CCCC1	PC-id_97407209	300.397	SDAQNDTTYSICGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060050
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)NCC1CC1	PC-id_97410577	300.397	XMNFKALCXIYETI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-060051
O=C=N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL8291650,PC-id_57846601	300.397	JNTLEOPUZGOYQX-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060052
O=S1CCC(CC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_116151743	300.397	FGLXFAZTBXQBCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060053
S1(=O)(=O)N(CC(N=C=O)C(C)(C)C)Cc2sccc12	PC-id_76581469	300.397	JNTLEOPUZGOYQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060054
c1(NC(=O)C=Cc2cccs2)sc2c(CCC2)c1C#N	PC-id_4176962,MCULE-7546981371	300.399	GVGPOIOKJHOZBL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-060055
CC1CC(c2n1ccn2)NCc1cccc(n1)OC(C)(C)C	EMOLS-id_318291464,MCULE-8833285503	300.399	VCBVMDSDQFOQIG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060056
CC1CC(c2n1ccn2)NCc1ccc(nc1)OC(C)(C)C	MCULE-5848286399,EMOLS-id_318158166	300.399	WDUNFVRYOOVMTH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060057
CC1CC(c2n1ncn2)Nc1ccc(cc1)COC(C)(C)C	EMOLS-id_318716309,MCULE-5287133897	300.399	HVWGBSFTYZDFHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060058
CC1CC(c2n1ncn2)Nc1ccccc1COC(C)(C)C	MCULE-5020337285,EMOLS-id_318645407	300.399	REINSLHDFSULSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060059
CC1CC(c2n1ncn2)NCc1ccc(cc1)OC(C)(C)C	MCULE-1862101055,EMOLS-id_318751889	300.399	LKZLSKVPVVRCGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060060
CC(CC(c1ccccc1)CNC1CC(n2c1ncn2)C)O	EMOLS-id_316576487	300.399	OEPPUUCQSRNGGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060061
CC(Oc1ccccc1C(NC1CC(n2c1ncn2)C)C)C	EMOLS-id_319558593	300.399	TVSZTYIEKKBGTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060062
Cn1nc(CN2CCCCC2)c2c1CN(Cc1ccoc1)C2	EMOLS-id_44369814,ZINC22_96259132,PC-id_97519221	300.399	JJHHHNRKKIERPG-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-060063
COc1ccc(cc1NC1CC(n2c1ncn2)C)C(C)(C)C	MCULE-6624277461,EMOLS-id_318439937	300.399	FZZIDPIGACKJLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060064
N#Cc1c(NC(=O)/C=C/c2cccs2)sc2c1CCC2	ChEMBL-DNDi_CHEMBLF0440-0186,CoCoCo_4974468,ZINC22_4078638,PC-id_6028936,EMOLS-id_45794775	300.399	GVGPOIOKJHOZBL-VOTSOKGWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-060065
N#Cc1c(NC(=O)/C=Cc2cccs2)sc2c1CCC2	CoCoCo_4974469	300.399	GVGPOIOKJHOZBL-SREVYHEPSA-N	00000010100100000000000010000000000000000000000000000000	25-01-060066
O=C(c1cc(n(c1C)C(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318762922	300.399	FNTFGEWGNXIROW-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060067
O=C(c1cc(n(c1C)C(C)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_317980345	300.399	HFULTONMRNACOE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060068
O=C(c1cc(n(c1C)C(C)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318788780	300.399	FZUNDRBVGXBOPO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060069
C1CCN(C(C1)CCn1nncc1)Cc1nn2c(c1)CCC2	EMOLS-id_319473950	300.402	PDAQUAXDOKFGOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060070
c1(CN(C)Cc2cnc(nc2)NCCC)c2CCCc2[nH]n1	ZINC22_215404352,EMOLS-id_49876288,PC-id_77084194,MCULE-6357440970	300.402	WRGLUHGVEKNINE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060071
CC1CCC(C(C1)n1ncnc1)NC1CC(n2c1ncc2)C	EMOLS-id_101357662	300.402	AIXLQSMUNMMTBC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060072
Cc1nc(N(C)C)nc(N(C)Cc2n[nH]c3c2CCC3)c1C	EMOLS-id_32413506,MCULE-6892796125,ZINC22_67788104,PC-id_50972124	300.402	QUZAKKFQIJIIKZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060073
CC(c1nnc2n1CCC2)NCc1cnc(nc1)C(C)(C)C	EMOLS-id_318254511,MCULE-6422797071	300.402	DTFMXSAQDVMPOP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060074
CC(=CCCC(c1nnn(c1)Cc1nnc2n1CCC2)C)C	EMOLS-id_44731264,MCULE-6383005831,PC-id_70759087	300.402	IUZJYCBELWTQKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060075
CC(=CCC[C@@H](c1nnn(c1)Cc1nnc2n1CCC2)C)C	PC-id_97139914	300.402	IUZJYCBELWTQKV-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060076
CC(=CCC[C@H](c1nnn(c1)Cc1nnc2n1CCC2)C)C	PC-id_97139915	300.402	IUZJYCBELWTQKV-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060077
CN1CCC(CC1)n1ccc(n1)NCc1cnc2n1CCC2	MCULE-7887022023,EMOLS-id_318304532	300.402	JEQJRFKMNIINBQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060078
CN1C[C@@H](NCc2cnn3c2CCC3)[C@H](c2cncn2C)C1	MCULE-9389121122,EMOLS-id_316085446,ZINC22_1775959839	300.402	BAYXACZAIPVDOK-ZIAGYGMSSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060079
Cn1nccc1C1CCCC(C1)NCc1nnc2n1CCC2	MCULE-1567743179,EMOLS-id_318478658	300.402	VMPLASGCUZQYKU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060080
C/C=CC1=C(C=C)c2n(C1CCC1(F)CCCCC1)cnc2	SCHEMBL21182817,PC-id_139334402	300.414	AJTFXTYTNWSRQR-BAQGIRSFSA-N	00000011100010000001000010000000000000000000000000000000	25-01-060081
c1ccc(cc1)C1COCC1NCc1sc2c(n1)CCC2	EMOLS-id_318571702,MCULE-4577953910	300.418	UXZMOXMGCQLSJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060082
c1ccc(cc1)[C@@H]1OCC[C@H]1NCc1sc2c(n1)CCC2	MCULE-5522218479,EMOLS-id_320251319	300.418	OPQPYVNLQVSSRO-PBHICJAKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060083
c1(NC(=O)CCCc2ccc(cc2)C)sc2c(CCC2)n1	PC-id_84558946,MCULE-5951140081,EMOLS-id_181476015	300.418	QHFQZXDLJGWAOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060084
Cc1ccc(cc1)C(C(=O)NCc1sc2c(c1)CCC2)N	PC-id_106151406	300.418	FKIBBFBKPGTNOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060085
CC(c1ccccc1)(CC(=O)Nc1sc2c(CCC2)n1)C	EMOLS-id_48223654,ZINC22_95956131,MCULE-2618266516,PC-id_75417665	300.418	FJIWPAUIQOJQGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060086
CN(C)Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	EMOLS-id_44527740,ZINC22_83851229,PC-id_71897088,MCULE-1051834140	300.418	CPTZEABRFZNKFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060087
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986423,MCULE-7476773851	300.418	FVZNYZYUMDNFKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060088
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C=O	MCULE-4246394408,EMOLS-id_330988724	300.418	FSEDHQGGAOSCFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060089
Nc1cccc(c1)C(C(=O)NCc1sc2c(c1)CCC2)C	PC-id_106591184	300.418	RFANCNSCKZRDFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060090
NC(=O)c1ccc(c(c1)C)CNCc1sc2c(c1)CCC2	PC-id_114479988	300.418	NBEROIVXSHCJPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060091
O=C(c1cc(N)c(cc1C)C)NCc1sc2c(c1)CCC2	PC-id_102705321	300.418	VEGGHTAOBLFTIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060092
O=C(c1sc2c(c1)CCC2)Cc1ccn(n1)C1CCCC1	PC-id_114977483	300.418	OJFHIXLPGSWFOI-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060093
s1c2CCCc2cc1CNCc1ccc(cc1)C(=O)NC	PC-id_61206859	300.418	CVFVXSBMKGJLQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060094
s1c2CCCc2cc1CNCc1ccc(NC(=O)C)cc1	PC-id_61208932	300.418	XZKXXVALYSODOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060095
s1c2CCCc2cc1CNCc1c(NC(=O)C)cccc1	PC-id_66417095	300.418	XZKROHHGTCHMRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060096
s1c2c(CCC2)cc1CNC(C)C(=O)Nc1ccccc1	PC-id_61207799	300.418	HLYPUMLJVVUDAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060097
s1c2CCCc2cc1CNCC(=O)Nc1ccc(cc1)C	PC-id_61208758	300.418	TXPKTYRZFVUDIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060098
s1c2CCCc2cc1CNCC(=O)Nc1cc(ccc1)C	PC-id_61208759	300.418	JXMXCPFJQDFAAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060099
s1c2CCCc2cc1CNCC(=O)Nc1c(cccc1)C	PC-id_61208760	300.418	DWQNRAIXMJRTQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060100
s1c2CCCc2cc1CNCC(=O)NCc1ccccc1	PC-id_61207983	300.418	YPHPILVUHGYKEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060101
s1c2CCCc2cc1CNC(=O)c1c(NCC)cccc1	PC-id_63108086	300.418	HTIVEXXSYAIJTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060102
s1c2c(CCC2)cc1CNC(=O)C(c1ccccc1)CN	PC-id_62877672	300.418	SZTWALGUUNRIFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060103
s1c2CCCc2cc1CNC(=O)Cc1c(CN)cccc1	PC-id_81312193	300.418	UZBJMYVHEFRUCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060104
s1c2CCCc2cc1CNC(=O)CCc1ccc(N)cc1	PC-id_61209497	300.418	IABDOODPAWAELA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060105
s1c2CCCc2cc1CNC(=O)CCc1cc(N)ccc1	PC-id_80694894	300.418	LNXXCQSXDXVUAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060106
s1c2CCCc2cc1CNC(=O)CC(N)c1ccccc1	PC-id_61208778	300.418	NFCCMUJTAAMHPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060107
s1c2CCCc2cc1CNC(=O)[C@@H](N)Cc1ccccc1	PC-id_61208781	300.418	FNFQFNNUJZWVGJ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060108
s1c2CCCc2cc1CNC(=O)[C@H](N)Cc1ccccc1	PC-id_78984677	300.418	FNFQFNNUJZWVGJ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060109
s1c2c(CCC2)cc1CNC(=O)C(N)(c1ccccc1)C	PC-id_62487554	300.418	YNECZACYMJVCJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060110
s1c2CCCc2cc1CNC(=O)C(N)Cc1ccccc1	PC-id_61208592	300.418	FNFQFNNUJZWVGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060111
s1c2CCCc2cc1C(=O)N(Cc1ccc(N)cc1)CC	PC-id_43458703	300.418	GVGSCAJJXYNNGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060112
s1c2CCCc2cc1C(=O)NCc1ccc(N(C)C)cc1	PC-id_9304179	300.418	HLAUUQZYCDBLEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060113
s1c2CCCc2cc1C(=O)N(Cc1cc(N)ccc1)CC	PC-id_43458965	300.418	AKVSJDCCGCWGMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060114
s1c2CCCc2cc1C(=O)N(C(c1cc(N)ccc1)C)C	PC-id_43549218	300.418	ZYEVFGORUDAAKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060115
s1c2CCCc2cc1C(=O)N(Cc1c(N)cccc1)CC	PC-id_43459228	300.418	ZVDBPHHMCULUQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060116
s1c2CCCc2cc1C(=O)NN(c1ccc(cc1)C)CC	PC-id_9182246	300.418	RMVIWDAGUYKRHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060117
s1c2CCCc2nc1NC(=O)CCc1ccc(cc1)CC	PC-id_33039964	300.418	GDMUTOFSYHWTSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060118
s1c2CCCc2nc1NC(=O)CCc1c(cc(cc1)C)C	PC-id_33040921	300.418	HXICPEMQGRQUBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060119
s1c2CN(Cc2cc1C(=O)Nc1c(cccc1)C)C(C)C	PC-id_53171001	300.418	MUXYNOMVNCHIJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060120
s1c2CN(Cc2cc1C(=O)NCc1ccccc1)C(C)C	PC-id_53171250	300.418	PPENZDKBCSSMDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060121
s1c2NC(=O)C(=Cc3[nH]c(c(c3CC)CCC)C)c2cc1	PC-id_59043147	300.418	GJUUXVWDUNCXGG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-060122
s1c(nc2c1CCC2)C(NC1CC1)c1ccc(OC)cc1	PC-id_61335664	300.418	LIOZKJQNMSODTL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-060123
C1CC(CC(O1)c1cccnc1)NC1CCc2c1scc2	MCULE-8827862560,EMOLS-id_318430438	300.419	WNOBKDXOAQMZIU-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-060124
C1CC(CC(O1)c1ccncc1)NC1CCc2c1scc2	EMOLS-id_318636429,MCULE-5752295942	300.419	KPGRFGQMCWNJLS-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-060125
C1C[C@H](C[C@@H](O1)c1ccccn1)NC1CCc2c1scc2	EMOLS-id_318444433,MCULE-3837776203	300.419	IGKGKHALZRYCNW-YAELJHOLSA-N	00000010100010101000100010000000000000000000000000000000	25-01-060126
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCC2)NC)C	PC-id_135200326,SCHEMBL20353907	300.419	SUHUGLCPVABWCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060127
CC(c1ccc(C(=O)Nc2sc3c(CCC3)n2)cc1)(C)C	CoCoCo_4164005,PC-id_3595429,EMOLS-id_21277424,MCULE-2864823008	300.419	YVBHNZRERTXVKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060128
CCNCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_43601229,EMOLS-id_301265779,MCULE-4274757659	300.419	TUVMQKVBLDODOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060129
CC(=O)N(c1ccc(cc1)CNC1CCc2c1scc2)C	MCULE-1623995492,EMOLS-id_318467801	300.419	HGFMVENTGIJTTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060130
CN(C(=O)c1cccc(c1)CNC1CCc2c1scc2)C	EMOLS-id_318456859,MCULE-1362765465	300.419	FSNCMKRRVFGYCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060131
CN(C(=O)c1cc(ccc1C)NC1CCc2c1scc2)C	MCULE-3461664615,EMOLS-id_318451141	300.419	ZGYKPGHWITZWBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060132
CN(C(=O)c1ccc(c(c1)NC1CCc2c1scc2)C)C	MCULE-3957073270,EMOLS-id_318586781	300.419	ZCMMTRYYRBFOTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060133
NCCN(C(=O)c1sc2c(c1)CCC2)Cc1ccccc1	PC-id_104859546	300.419	LWBLMCUSTYCUOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060134
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)OC1CC1	PC-id_105340984	300.419	HBWVKRMFLDFDRZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-060135
NNC(c1sc2c(c1)CCC2)c1cccc(c1)OC1CC1	PC-id_105341117	300.419	PEPDZAPDZAWGNH-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-060136
O1CCC(C1)c1ccc(cc1)NCc1sc2c(n1)CCC2	EMOLS-id_318144036,MCULE-3690228410	300.419	JRFQAPRJBVAHOE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060137
OC1CC(N(C1)Cc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318319442	300.419	JCTPPDXRDGMKRQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060138
O=C(C(c1ccccc1)NC1CCc2c1scc2)N(C)C	EMOLS-id_318580419,MCULE-6885206215	300.419	BJNKFNFQGMFHNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060139
O=C(CCc1ccccc1N)NCc1sc2c(c1)CCC2	PC-id_107272975	300.419	XWJFAWSSXBBJIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060140
s1c2CCCc2cc1CNC(=O)c1ccc(CCN)cc1	PC-id_64235168	300.419	QXLRAHZAHVJPSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060141
s1c2CCCc2cc1CNC(=O)c1c(CCN)cccc1	PC-id_64235167	300.419	ZHUZZXWBAPUWEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060142
s1c2CCCc2cc1C(=O)Nc1c(CNCC)cccc1	PC-id_43601425	300.419	VNPAPUKGECUUMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060143
s1c2CCCc2cc1C(=O)NCc1ccc(CCN)cc1	PC-id_62501650	300.419	VAQOBXFVIOTWRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060144
s1c2CCCc2cc1C(=O)N(CCC)c1ccc(N)cc1	PC-id_63234062	300.419	ZVYVKFFECFENNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060145
s1c2CCCc2cc1C(=O)N(CCC)c1cc(N)ccc1	PC-id_63229515	300.419	QQAMRHFHUPCMCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060146
s1c2CCCc2cc1C(=O)N(CCC)c1c(N)cccc1	PC-id_63230833	300.419	NAPOBASGLRXDEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060147
s1c2CCCc2cc1C(=O)NCCC(N)c1ccccc1	PC-id_80506950	300.419	LBGDHIYLEJOPKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060148
s1c(nc2c1CCC2)C(NC1CC1)c1cc(OC)ccc1	PC-id_61335086	300.419	XTSUWNVDMVZTQT-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-060149
s1c(nc2c1CCC2)C(NC1CC1)c1c(OC)cccc1	PC-id_61334489	300.419	PGQWHCVIJGEVFJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-060150
Cc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318398340	300.42	YARUFMDIIJDUDL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060151
Cc1ccsc1S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318566438	300.42	VZKBBNFYFZKUPV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060152
Cc1csc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318503056	300.42	PFCSVRFTPHOMJX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060153
CN(CCCS(=O)(=O)N(C)C)Cc1n[nH]c2c1CCC2	EMOLS-id_55700443,PC-id_91842523,ZINC22_240500002,MCULE-8944639080	300.42	NQJZVLABHXUYNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060154
NCC(NS(=O)(=O)c1cnc2n1CCC2)(CC(C)C)C	EMOLS-id_303025245,MCULE-6545489908,PC-id_121702449	300.42	AUBHOLZOXJTBLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060155
c12SCCn1cc(CNC1CCN(c3ccccc3)C1)n2	EMOLS-id_290010488,MCULE-3663966265	300.422	GGXKNCDKIGTXQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060156
c1ccc(N2CC[C@@H](NCc3cn4c(n3)SCC4)C2)cc1	ZINC22_952969775	300.422	GGXKNCDKIGTXQS-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060157
c1ccc(N2CC[C@H](NCc3cn4c(n3)SCC4)C2)cc1	ZINC22_952969781	300.422	GGXKNCDKIGTXQS-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060158
C1CC(CN(C1)c1cccnn1)NC1CCc2c1scc2	EMOLS-id_318644079	300.422	NTLQLLYXHNHATC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-060159
c1ccc(nn1)N1CCC(CC1)NC1CCc2c1scc2	EMOLS-id_318385393	300.422	ZFAFPNUJKKRFDZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-060160
C1CCN(C1)c1ccc(nc1)NCc1sc2c(n1)CCC2	MCULE-8838031956,EMOLS-id_318280999	300.422	HLYLYNFJXVIDNU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-060161
C1SCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-7001709867,EMOLS-id_318338570	300.422	ONRHHKYTMPIYOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060162
Cc1cc(NCc2sc3c(n2)CCC3)nc(n1)C1CCC1	EMOLS-id_318559971,MCULE-3673420202	300.422	GDHJYGYOLGNFCU-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-060163
n1ccc(cc1)C1CNCCN1Cc1sc2c(n1)CCC2	MCULE-4251297743,EMOLS-id_318342104	300.422	OPCKQLGQXGPEQP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-060164
s1c(nc2c1CCC2)C(NC1CC1)c1n(C2CC2)cnc1	PC-id_66141445	300.422	NHCAMNOURQMSMB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-060165
CC1=Cc2c(C1=[Si](c1ccccc1)c1ccccc1)occ2	PC-id_142659594	300.426	YZURNFPZYUHQEZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-060166
CC1CC(C1)(C)CS(=O)(=O)N1Cc2c(C1)nc(s2)C	EMOLS-id_319823019	300.44	IMJAEJHSFDQXLH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-060167
CCOC(=O)C1CCc2c1nc(s2)NCC(SC)C	PC-id_113466995	300.44	QPIOKRQLEDBFSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060168
CCSCCC(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_113516715	300.44	JSZTUKNOLVMOBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060169
CNC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2	PC-id_68324213,SCHEMBL12601267	300.44	BUKOFGZQSCEUOB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060170
CSCCCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_114129180	300.44	SVGUGNTXIDZHJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060171
CSCC[C@@H](O)C(=O)NCCc1nc2c(s1)CCC2	PC-id_100042580,ZINC22_219514660	300.44	JSEICCUPUFGIEA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060172
CSCC[C@H](O)C(=O)NCCc1nc2c(s1)CCC2	PC-id_100042583,ZINC22_219514735	300.44	JSEICCUPUFGIEA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-060173
CSCCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_104288829	300.44	MPEYRKPEMKWEBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060174
CSCCC(N(c1nc2c(s1)CCC2C(=O)O)C)C	PC-id_116422005	300.44	YHGZNUAICNDHNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060175
CSCCC(O)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_55634984,PC-id_91771379,MCULE-9503729690	300.44	JSEICCUPUFGIEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060176
CSCC(N(c1nc2c(s1)CCC2C(=O)O)C)CC	PC-id_104289246	300.44	OEPSIVGDORSDHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060177
CSCCN(c1nc2c(s1)CCC2C(=O)OCC)C	PC-id_113395834	300.44	CNEIWOFWMUDELY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060178
CSCC(Nc1nc2c(s1)CCC2C(=O)OCC)C	PC-id_113473116	300.44	FONAOUHCIIILMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060179
CN1CC23C(C1)(CCCC2)CN(C3)Cc1nn2c(c1)CCC2	EMOLS-id_318800564	300.442	YGONFIIGVMSHPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060180
CSc1cccc(c1C#N)NCc1sc2c(c1)CCC2	PC-id_104200571	300.442	MUXNGBGBMYAJPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060181
OC(c1sc2c(c1)CCC2)Cc1ccc(cc1)C(C)(C)C	PC-id_115786533	300.458	ACTRINUQNQUDET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060182
s1c2c(CCC2)cc1C(O)c1c(c(c(c(c1C)C)C)C)C	PC-id_63426471	300.458	QSQHWHVNNOASNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060183
s1c2c(CCC2)cc1C(O)c1ccc(C(CC)(C)C)cc1	PC-id_66259965	300.458	RAISWMBMRRYUQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060184
CCNC(c1cc(C)c(cc1C)C)c1sc2c(n1)CCC2	PC-id_108408192	300.462	GCRQQBQLEBYSMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060185
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cn1)CC	PC-id_105014782	300.462	HAKHQAXFFVQZTP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060186
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)C(C)(C)C	PC-id_105300377	300.462	JYSHTEJPGHNUQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060187
NNC(c1sc2c(c1)CCC2)c1cccc(c1)CC(C)C	PC-id_105340676	300.462	DYSURFAEQPLRHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060188
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)C(C)C	PC-id_105297257	300.462	QWNKXLAESOCGMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060189
NNC(c1sc2c(c1)CCC2)Cc1c(C)cc(cc1C)C	PC-id_105292707	300.462	OJHCACLVKQMJRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060190
s1c2c(CCC2)cc1CNC(c1c(cc(nc1C)C)C)C	PC-id_61207409	300.462	VHUUYIWJCPRVIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060191
s1c2c(CCC2)cc1CNC(c1ccc(N(C)C)cc1)C	PC-id_61207028	300.462	SIBBYDAVLXDEKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060192
s1c2c(CCC2)cc1C(NCCC)Cc1ncccc1C	PC-id_66447088	300.462	SSNDYWJDWWGCJU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060193
s1c2c(CCC2)cc1C(NCCC)Cc1ncc(cc1)C	PC-id_66448872	300.462	FLLWHMYDOJLQHP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060194
s1c2CCCc2nc1CC(N)c1ccc(C(C)(C)C)cc1	PC-id_82066882	300.462	MKSGHPGKRRFQQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060195
s1c2CCCc2nc1C(NC)c1ccc(C(C)(C)C)cc1	PC-id_61331358	300.462	UNQQAHJNMUCWGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060196
s1c2CCCc2nc1C(NC)c1ccc(CC(C)C)cc1	PC-id_80257794	300.462	LWBOQTJQEPDCRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060197
s1c2CCCc2nc1C(NCC)c1c(cc(cc1C)C)C	PC-id_61332193	300.462	ZIUJJFZDATZQOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060198
s1c2CCCc2nc1C(NCC)c1ccc(C(C)C)cc1	PC-id_61332388	300.462	TXUPASCVSALURA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060199
s1c2CCCc2nc1C(NC(C)C)c1cc(c(cc1)C)C	PC-id_61333469	300.462	AYZOTZFTFSUBGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060200
s1c2CCCc2nc1C(NC(C)C)c1ccc(cc1)CC	PC-id_61333854	300.462	IYXZTOPNPYYEJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060201
s1c2CCCc2nc1C(NCCC)c1ccc(cc1)CC	PC-id_61334400	300.462	WAPXDTKEPHUYMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060202
s1c2CCCc2nc1C(NC(C)C)c1c(cc(cc1)C)C	PC-id_61334440	300.462	HFGFSYMWFUPZTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060203
s1c2CCCc2nc1C(NCCC)c1cc(c(cc1)C)C	PC-id_61334596	300.462	FGXYJYXCRHMKPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060204
s1c2CCCc2nc1C(NCCC)c1c(cc(cc1)C)C	PC-id_61334994	300.462	VCGLISMTQCBCEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060205
s1c2CCCc2nc1C(NC(C)C)c1c(ccc(c1)C)C	PC-id_61552214	300.462	WELWWYKDOYJQRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060206
s1c2CCCc2nc1C(NCCC)c1c(ccc(c1)C)C	PC-id_61552730	300.462	QQYOAPYNXXEFLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060207
s1c2CCCc2nc1C(NCCC)c1c(c(ccc1)C)C	PC-id_61634754	300.462	VQMHQYJZVRQZLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060208
s1c2CCCc2nc1C(NC(C)C)c1c(c(ccc1)C)C	PC-id_61634851	300.462	FKMNRWOZMFRYTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060209
s1c2CCCc2nc1C(NC(C)C)c1cc(cc(c1)C)C	PC-id_61650824	300.462	WPXHUVOUDHPBJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060210
s1c2CCCc2nc1C(NCCC)c1cc(cc(c1)C)C	PC-id_61651422	300.462	PXQPJRJGAXSLSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060211
s1c2CCCc2nc1C(NCCC)c1c(cccc1C)C	PC-id_81923901	300.462	SCGLMFYKCBATSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060212
s1c2CCCc2nc1C(NC(C)C)c1c(cccc1C)C	PC-id_81923926	300.462	IQZAQFODLSTZLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060213
s1c2CCCc2nc1C(NCCC)c1c(CC)cccc1	PC-id_62415284	300.462	SRLZLCFRICIPJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060214
s1c2CCCc2nc1C(NC(C)C)c1c(CC)cccc1	PC-id_62415677	300.462	HWQUEJUOZNBOJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060215
s1c2CCCc2nc1C(NC(C)C)CCc1ccccc1	PC-id_62879404	300.462	DSGOHBZOAIYYQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060216
s1c2CCCc2nc1C(NCCC)CCc1ccccc1	PC-id_62881799	300.462	PNICUIBNVLWJLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060217
s1c2c(nc1C(NCC)CC(c1ccccc1)C)CCC2	PC-id_61699166	300.462	NSMRABUHHIETKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060218
s1c(C(NCCC)C(c2ccncc2)C)cc2c1CCC2	PC-id_66447568	300.462	PLGGLWBMXINRBT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060219
s1c(C(NCCC)C(C)c2ncccc2)cc2c1CCC2	PC-id_66448592	300.462	DYQMSOAUVNKZJF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060220
s1c(nc2c1CCC2)C(NCC)(Cc1ccccc1)CC	PC-id_79008984	300.462	NVPNZUXNULCMFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060221
s1c(nc2c1CCC2)C(NCC)(CCc1ccccc1)C	PC-id_61332031	300.462	GHWMORRYFMKYKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060222
s1c(nc2c1CCC2)C(NC(C)C)C(c1ccccc1)C	PC-id_61334052	300.462	PVRUTQAMODKNDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060223
s1c(nc2c1CCC2)C(NCCC)C(c1ccccc1)C	PC-id_61335186	300.462	YPEAYMPSLUQSKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060224
CCSCCC(c1sc2c(n1)CCC2)NCCOC	PC-id_116504489	300.483	GMFWXVZDTLHOQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060225
COCCNC(c1sc2c(n1)CCC2)CCCSC	PC-id_103089621	300.483	RKJHXVXZVNPUDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060226
C1Cc2nc(CCNC3CSCCSC3)sc2C1	ZINC22_1506423159,MCULE-2392311364,EMOLS-id_316232532	300.506	TUGAJFSPHIIPPX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-060227
c1(CCl)c2COCc2sc1I	EMOLS-id_331065377,MCULE-7862105298	300.544	PYBOUOQYHAEHLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060228
c1(NC(=O)C(Cl)(Cl)Cl)n(C)nc2CSCc12	EMOLS-id_334567089,MCULE-7071907242	300.593	BFOOCSSKXWDAEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060229
C1Cn2c(nn(c2=O)S(=O)(=O)c2ccc(cc2)Cl)N1	PC-id_135873305	300.721	HMXZUMUGLUUPBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060230
N#Cc1ccc(cc1Cl)CNC(=O)c1occ2c1CCC2	EMOLS-id_318705175	300.74	LODIZGUYSOIRPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060231
CC(C)NC(=O)CCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960021	300.741	VBZHFICWEJBOBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060232
CCOC(=O)n1nc2c(c1NC)CN(C2(C)C)C(=O)Cl	SCHEMBL19542098	300.741	BQMRWRUZVSSSAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060233
Clc1c(NC(=O)c2n3CCCc3c(c2N)C#N)cccc1	PC-id_51039262	300.743	KGPFRRRTELTQCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060234
N#Cc1ccc(cc1Cl)CNC(=O)c1cnc2n1CCC2	EMOLS-id_318448288	300.743	LHMOMTGYEKTNLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060235
N#Cc1ccc(cc1Cl)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318509874	300.743	NVKUOSFLFHQLML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060236
N#Cc1ccc(cc1Cl)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_318537361	300.743	KUGDYZRQZDTPHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060237
N#Cc1cc(ccc1Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319508638	300.743	HAYDKGPDOVLBGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060238
N#Cc1c(N)c(C(=O)Nc2ccc(Cl)cc2)n2c1CCC2	NSC696773,CoCoCo_5763404,CHEMBL572712,PC-id_393846	300.743	IJKPNXJNQFXXIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060239
Clc1cc(F)c(cc1C(c1sc2c(c1)CCC2)O)F	PC-id_107477089	300.751	HBCHFIGMOYXWNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060240
C1Cn2c(c[nH]c2=S)C1Cc1c(ccc(c1F)Cl)F	SCHEMBL20006232,PC-id_134377425	300.755	FGBVFFYYRNXIQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060241
CC(CCCN(C)C)NC(=O)c1nn2CCOc2c1Cl	PC-id_91960047	300.784	JARIQHOCVMLZEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060242
CC(C)(CNC(=O)c1nn2CCOc2c1Cl)CN(C)C	PC-id_91960043	300.784	IGCXZTVCJYXQAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060243
CCN(CC)CCCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960036	300.784	AAQXKAHZIIXGQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060244
N#Cc1ccc(cc1Cl)CNC(c1nn2c(c1)CCC2)C	MCULE-8491569413,EMOLS-id_318697341	300.786	CZFMDVCNUBJTAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060245
ClCCCCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_43470533	300.804	DCLDYCRYLVESQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060246
ClCC(C(=O)Nc1sc2c(CCC2)c1C(=O)N)(C)C	PC-id_63681300	300.804	LCJYZYRTCZKBGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060247
CC1CCc2c1c(CCl)nn2Cc1ccccc1C1CC1	MCULE-3663131145,EMOLS-id_331025935	300.826	LNWQJHMNYDCQIF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-060248
CC1CCc2c1c(CCl)nn2Cc1cccc(c1)C1CC1	MCULE-8256726766,EMOLS-id_331029248	300.826	ADESJVGDHVHIBU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-060249
CC1CCc2nn(Cc3ccccc3C3CC3)c(CCl)c12	MCULE-4891700536,EMOLS-id_331009977	300.826	CLYOZZNCTIUQBV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-060250
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(CCl)c12	MCULE-8758820422,EMOLS-id_331009210	300.826	UPLXCRNQENJNNH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-060251
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1Cl	MCULE-2418542259,EMOLS-id_330959545	300.826	KTDQWTSAMQANAH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-060252
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1Cl	MCULE-5992115621,EMOLS-id_330959285	300.826	VZDLQUASFGNELU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-060253
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1Cl	MCULE-7445627912,EMOLS-id_330957496	300.826	KPVFJXVFSZLCBY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-060254
CC(CNC(=O)CCNC1CCc2c1cc(s2)Cl)C	PC-id_104418653	300.847	GNGXBYBGYMCBSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060255
CC(C(=O)NCC(C)C)NC1CCc2c1cc(s2)Cl	PC-id_104391098	300.847	ARPPLNIMHURBAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060256
CC(C(=O)NC(C)(C)C)NC1CCc2c1cc(s2)Cl	PC-id_112551225	300.847	RNPQDXNMTSCRCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060257
C[C@H](N[C@@H]1CCc2sc(Cl)cc12)[C@@H]1CN(C)CCO1	PC-id_97104341,ZINC22_90575798	300.847	JFWUHCKGDDDQLR-WCQGTBRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-060258
C[C@H](N[C@@H]1CCc2sc(Cl)cc12)[C@H]1CN(C)CCO1	PC-id_97104343,ZINC22_90575802	300.847	JFWUHCKGDDDQLR-MVWJERBFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060259
C[C@H](N[C@H]1CCc2sc(Cl)cc12)[C@@H]1CN(C)CCO1	ZINC22_222112181,PC-id_100084023	300.847	JFWUHCKGDDDQLR-DLOVCJGASA-N	00000010100010000001000010000000000000000000000000000000	25-01-060260
C[C@H](N[C@H]1CCc2sc(Cl)cc12)[C@H]1CN(C)CCO1	ZINC22_241124137	300.847	JFWUHCKGDDDQLR-ZMLRMANQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060261
CCN1CCOC(C1)CNC1CCc2c1cc(s2)Cl	PC-id_115919972	300.847	ZNWIULGPQOPSFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060262
Clc1sc2c(C(NC(C3OCCN(C3)C)C)CC2)c1	MCULE-2964571649,EMOLS-id_48809579,PC-id_75471449	300.847	JFWUHCKGDDDQLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060263
Clc1sc2c(C(NC(CC(C)C)C(=O)NC)CC2)c1	PC-id_81251608	300.847	DRDXILVCMCZDJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060264
Clc1sc2c(C(NCCCN3CCOCC3)CC2)c1	PC-id_81252987	300.847	CHEPBXMWEXIQTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060265
Clc1sc2c(C(NCCC(=O)N(CC)CC)CC2)c1	PC-id_81252179	300.847	QNQBIJPKYBLFAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060266
Clc1sc2c(C(NCCC(=O)NC(CC)C)CC2)c1	PC-id_81252798	300.847	BEXRTQSJLBODQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060267
Clc1sc2c(C(NC(CN3CCOCC3)C)CC2)c1	PC-id_81251949	300.847	PJQLVHDZJKFLTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060268
Clc1sc2c(C(NC(C(=O)N(CC)CC)C)CC2)c1	PC-id_81252487	300.847	BRWFDRGKVMGVGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060269
O=C(NC(C)(C)C)CCNC1CCc2c1cc(s2)Cl	PC-id_115889431	300.847	DFDZXYCJAQSPIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060270
Clc1sc2c(C(NC(CC(C)C)CN(C)C)CC2)c1	PC-id_81251846	300.89	WPCSMUVONXFBBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060271
Clc1sc2c(C(NCCCCN(C(C)C)C)CC2)c1	PC-id_81251855	300.89	AQAXNUXBOZJNFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060272
Clc1sc2c(C(NCCN(C(C)C)C(C)C)CC2)c1	PC-id_81251489	300.89	MCTUSTWRUABEND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060273
Clc1sc2c(C(NCC(N(C)C)CC(C)C)CC2)c1	PC-id_81252163	300.89	KZWQRBAMJQSKRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060274
CC1C2=C(CN1C(=O)OC(C)(C)C)C(=NN2)Br	PC-id_154728877,EMOLS-id_323897016,MCULE-2358007230	301.043	XVEZFRRCNYVNFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060275
CS(=O)(=O)N1CCN(CC1)CC2=NC3=C(S2)CCC3	EMOLS-id_337863805,PC-id_165435386,MCULE-8724432016	301.092	RFIRJEPGAULVRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060276
C1Cn2c(c(nn2)C(=O)c2c(ccc(c2Cl)F)Cl)N1	PC-id_137279566	301.104	DZLNQGXKQOINBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060277
C1C2=CSC(=C2CN1CCCC(=O)O)CC3=CC=CC=C3	PC-id_161954697	301.114	YMGOZXVOXMKXDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060278
C1CC2=NN=C(N2C1)CCNC(=O)C3=NC=C(C=C3)C(=O)O	PC-id_154800600	301.117	BWMQOFNSFZSOEG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060279
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3=CC=CC=N3)C	PC-id_160798958	301.117	SCUPWCFFDSGGQX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060280
C1CN(CCC1(F)F)CCC2CN3C(=CC(=N3)C(=O)O)O2	PC-id_150483656	301.124	HUIWSAYHXQXLGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060281
CCOC(=O)C1=NN2CC(OC2=C1)CCN3CC(C3)(F)F	PC-id_153545767	301.124	PXHHYLPPUFPLPM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-060282
c12C(C)CCc1n(nc2I)CCC#N	EMOLS-id_330982133,MCULE-6010367383	301.127	ZCFUGACCMNBNGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060283
c12C(C)CCc1nn(CCC#N)c2I	EMOLS-id_330967478,MCULE-7199116042	301.127	QYJNKLNXYSLHPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060284
O=C(N1Cc2c(C1=O)c[nH]c2Br)OC(C)(C)C	SCHEMBL16547788,PC-id_117935824	301.137	DZUXWDZIDURJOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060285
CCC1=NN(C2=C1CNC2=O)CC3=C(C=C(C=C3)OC)OC	PC-id_164898279	301.143	NVQYCSGGYXTYPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060286
CC1=CN(N=C1)[C@@H]2[C@H](C[C@H]2O)NC(=O)C3=NN4CCCC4=C3	PC-id_154796520	301.154	KMJXRNCLQATDKK-IACUBPJLSA-N	00001010100000000001100010000000000000000000000000000000	25-01-060287
CN1C(=CC=N1)C2CCCN(C2)C(=O)C3=NN4CCOC4=C3	MCULE-3512758116,EMOLS-id_317298395,PC-id_154758673	301.154	ATPFCIPAHCATRV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060288
C1CC(CN(C1)C(=O)C2=C3CCCN3N=C2)C4=NC(=NN4)N	EMOLS-id_317284092,PC-id_154764241,MCULE-7482970662	301.165	IBXBXOTYLFGZAT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060289
C1CC2=NN=C(N2C1)CN3CCN(CC3)C4=CC=C(C=C4)F	MCULE-3967254109,PC-id_154828890,EMOLS-id_324595251,ZINC22_1888863707	301.17	YOWHLGHYHDSRBI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-060290
C1CC2=NN=C(N2C1)CN3CCN(CC3)C4=CC=CC=C4F	PC-id_154882662,ZINC22_1888863680,EMOLS-id_324187780,MCULE-7931303731	301.17	SCVONPJGBFFFSU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-060291
CCOC(=O)Cn1nc2CCC(C)c2c1CBr	MCULE-7191192474,EMOLS-id_331018171	301.18	BXTSWRZOUWBACK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060292
CCOC(=O)Cn1nc(CBr)c2C(C)CCc12	MCULE-7818192774,EMOLS-id_331033868	301.18	QRUSLBWQJFUCEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060293
BrC(C(=O)NC(c1n2CCCc2nn1)C)CC	PC-id_62854306	301.183	SSMVNXRXQSEDEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060294
BrC(C(=O)N(Cc1n2CCCc2nn1)C)CC	PC-id_62855051,EMOLS-id_39426485	301.183	OCBFSPUJKUCVCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060295
CN(C(=O)C(Br)(C)C)Cc1nnc2n1CCC2	PC-id_114328243,EMOLS-id_315953296	301.183	GZUQRRGHAQVDML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060296
O=C(C(Br)(C)C)NC(c1nnc2n1CCC2)C	PC-id_114327748	301.183	BYZXUIQUMLXBIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060297
Cc1sc2c(c1)CN(C2)C(=O)c1[nH]c(c(c1)Cl)Cl	PC-id_144113576	301.192	TUSOSNFYJJJVKX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-060298
Cc1cc2NC(Nc3cc(Cl)ccc3Cl)Sn2n1	MCULE-9485222482,BindingDB-id_87254,EMOLS-id_6798046,TIMTEC73236,SPECS-id_AQ-090/41768896,TIMTEC18684	301.195	BFJXOMJAHMJFPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060299
Cc1cc2n(n1)S[C@@H](Nc1cc(Cl)ccc1Cl)N2	CoCoCo_6974515,ZINC22_13132464	301.195	BFJXOMJAHMJFPO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-060300
Cc1cc2n(n1)S[C@H](Nc1cc(Cl)ccc1Cl)N2	ZINC22_13132463,CoCoCo_6974514	301.195	BFJXOMJAHMJFPO-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060301
Clc1nc(NCc2sc3c(c2)CCC3)nc(n1)Cl	PC-id_114156596	301.195	IRGBIKQFATVVNL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060302
Clc1nnc(c(n1)NCc1sc2c(c1)CCC2)Cl	PC-id_106194068	301.195	GVFJCJNOOAHENY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060303
O=C(c1occ2c1CCC2)NCc1onc(n1)C(F)(F)F	EMOLS-id_318564820	301.221	JNEAERLCCWFHRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060304
O=C(c1nc2n(c1)CCC2)NCc1onc(n1)C(F)(F)F	EMOLS-id_278165058	301.225	ZFNLJGTXOPEODG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060305
O=C(c1n[nH]c2c1CCC2)NCc1onc(n1)C(F)(F)F	EMOLS-id_258003290,MCULE-6166910550	301.225	MOZAEMAUGUNOGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060306
OCc1nn(c(c1C)C(F)(F)F)Cc1nnc2n1CCC2	EMOLS-id_318885920	301.268	VMQYCJUMKNZORN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060307
O=C(c1sc2c(c1)CCC2)Nc1c[nH]nc1C(F)(F)F	EMOLS-id_319250354	301.288	MEXYFQJRKZBUQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060308
O=C(c1scc(c1)C(F)(F)F)NC1CCn2c1ncc2	MCULE-4583991897,EMOLS-id_320048722	301.288	ZCIZEUFTLDFKCU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060309
O=C(N1Cc2c(C1)cnn2C)c1scc(c1)C(F)(F)F	EMOLS-id_319249019	301.288	QXKUBLSXIJZQLX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060310
c12CN(Cc1nn(CC(F)F)c2C=O)C(=O)OC(C)(C)C	MCULE-7395480352,EMOLS-id_324347240	301.289	QJZKNKAGFPXALQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060311
CC(C)(CC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)O)CC(F)F	ZINC22_1875320427	301.289	CQHXEPAGWBSOPM-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060312
CC(C)(CC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)O)CC(F)F	ZINC22_1875320428	301.289	CQHXEPAGWBSOPM-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-060313
CCOc1ccc(cc1)NC(=O)Oc1coc2c1C(=O)CC2	PC-id_69944658,SCHEMBL6948428	301.294	DBMBMZXTHBHHJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060314
COc1ccc(cc1)C(=O)c1ccc2n1CCC2OC(=O)O	PC-id_67839062,SCHEMBL9388343	301.294	OXPJMLFEYPUHCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060315
COc1ccc(cc1OC)C(=O)c1cc2c(n1C)CC(=O)O2	PC-id_9882809,SCHEMBL7680773	301.294	SDAARCWZADSJMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060316
O=C(O)COc1cccc(NC(=O)c2occ3c2CCC3)c1	EMOLS-id_316934275,MCULE-4596593933,ZINC22_909124577	301.294	BRNBZBCHKXSZDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060317
c1c(nc2n1CC(O2)COC/C=C/c1ccccc1)[N+](=O)[O-]	CHEMBL384752,PC-id_16099135	301.297	ZKRIYXJNOVPMIH-QPJJXVBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060318
CCOC(=C1C2=C(C(=O)N(C2=O)Cc2ccccc2)NN1)O	PC-id_91507596	301.297	WBBXZVWQEDYPOE-UHFFFAOYSA-N	00000011000000110001000010000000000000000000000000000000	25-01-060319
Cn1cc2C(N(Cc2n1)C(=O)OCc1ccccc1)C(=O)O	MCULE-3973464742,EMOLS-id_259640419	301.297	UVGKENBCPOQPMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060320
Cn1ncc2C(N(Cc12)C(=O)OCc1ccccc1)C(=O)O	EMOLS-id_329944308	301.297	JPDAWGVDTQMZRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060321
COc1ccc(c(c1)C(=O)O)NC(=O)c1cnn2c1CCC2	EMOLS-id_319405820	301.297	IOKBRJXYBWSPGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060322
O=C(c1cc2n(n1)CCO2)N[C@@H](C(=O)O)Cc1ccccc1	MCULE-3312278905,EMOLS-id_320073306	301.297	FMLPXEBMRRKNES-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060323
OC(=O)c1c(NC(=O)OCc2ccccc2)nc2CCCn12	EMOLS-id_336482776,MCULE-7909877418	301.297	ZETDNIJZVQGTDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060324
OC(=O)CC1N(Cc2n[nH]cc12)C(=O)OCc1ccccc1	MCULE-2925159924,EMOLS-id_277373222	301.297	VOYRWVCRABTZAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060325
c12CN(Cc1n(nc2)CCO)Cc1onc(c2ccco2)n1	PC-id_91828426,EMOLS-id_55602128,MCULE-1885937612,ZINC22_244882743	301.301	XXXBJIRFMWNCJU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-060326
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)OCC	MCULE-3256025023,EMOLS-id_17100085,PC-id_135635949,STOCK6S-46747	301.301	CIEWDDXLSXJHCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060327
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1OC)C	PC-id_135635996,EMOLS-id_17109424,MCULE-1468074041,STOCK6S-53152	301.301	IPSATZDCRAMFNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060328
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1OCC	PC-id_135635998,EMOLS-id_17109610,STOCK6S-53290,MCULE-3327337953	301.301	WTDSTGZJBUVFBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060329
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)OC)C	STOCK6S-55677,PC-id_135636009,MCULE-4564935138,EMOLS-id_17113183	301.301	JJKMFCLWKDLGNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060330
c12ncnn1C(C(=O)N2)CC(=O)Nc1cc(C)ccc1OC	STOCK6S-48017,MCULE-9048942636,PC-id_135635958,EMOLS-id_17101865	301.301	FMWLAPNMYOQIEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060331
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(OC)c1)C	STOCK6S-54024,EMOLS-id_17110679,MCULE-7599791552,PC-id_135629961	301.301	YQZPXSGPZWISHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060332
Cc1cccc(C(=O)NCc2nnc3n2CCC3)c1[N+](=O)[O-]	ZINC22_12890456,MCULE-2512904210,PC-id_17513936,EMOLS-id_16716157,CoCoCo_4491066	301.301	VQMPWFWPHNAKFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060333
Cc1ccc(C(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-]	PC-id_25619653,ZINC22_12938467,MCULE-3342777546,CoCoCo_4491070,EMOLS-id_16737772	301.301	SSNOUWHFNQFADJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060334
Cc1cc(C(=O)NCc2nnc3n2CCC3)ccc1[N+](=O)[O-]	MCULE-7058930672,ZINC22_12787437,PC-id_25511347,CoCoCo_4491056,EMOLS-id_16762638	301.301	APHWWMDKLCVUMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060335
Cc1c(C(=O)NCc2nnc3n2CCC3)cccc1[N+](=O)[O-]	CoCoCo_4491061,EMOLS-id_16695659,ZINC22_12996126,MCULE-5419232359,PC-id_25657079	301.301	IERLGWIDFQZFGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060336
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	PC-id_135904097,ZINC22_13728455	301.301	WTDSTGZJBUVFBK-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-060337
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	ZINC22_13728452,PC-id_135904096	301.301	WTDSTGZJBUVFBK-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060338
CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	PC-id_135924974,ZINC22_13690568	301.301	CIEWDDXLSXJHCD-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060339
CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	PC-id_135924975,ZINC22_13690569	301.301	CIEWDDXLSXJHCD-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-060340
CN(Cc1nnc2n1CCC2)C(=O)c1ccc([N+](=O)[O-])cc1	MCULE-9434110597,EMOLS-id_16689465,ZINC22_11120785,PC-id_41827872,CoCoCo_4491565	301.301	JGSMCTYHWGEUHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060341
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1cccc(c1)O	PC-id_58441065,SCHEMBL12307462	301.301	MPSRWIFZEWBHOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060342
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)Oc1ccccc1	SCHEMBL12307396,PC-id_58440728	301.301	VIMZUJCDHVKHJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060343
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	PC-id_68439721,SCHEMBL2915725	301.301	DQIJKSSCACEPLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060344
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	PC-id_68441558,SCHEMBL2921371	301.301	ZFSOSHAAXMBMIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060345
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2919486,PC-id_68440962	301.301	RWLKMTUASOABFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060346
COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(C)nn12	PC-id_135904085,ZINC22_13728044	301.301	IPSATZDCRAMFNU-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060347
COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(C)nn12	ZINC22_13728046,PC-id_135904086	301.301	IPSATZDCRAMFNU-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-060348
COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	ZINC22_13691755,PC-id_135925031	301.301	FMWLAPNMYOQIEZ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060349
COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_13691756,PC-id_135925032	301.301	FMWLAPNMYOQIEZ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-060350
COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)c1	PC-id_135904132,ZINC22_13730591	301.301	YQZPXSGPZWISHK-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060351
COc1cccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)c1	PC-id_135904133,ZINC22_13730594	301.301	YQZPXSGPZWISHK-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-060352
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135904203,ZINC22_13735693	301.301	JJKMFCLWKDLGNK-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060353
COc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc1	ZINC22_13735696,PC-id_135904204	301.301	JJKMFCLWKDLGNK-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-060354
O=C(N1Cc2c([nH]nc2NC(=O)COc2ccccc2)C1)N	PC-id_68440106,SCHEMBL2916913	301.301	DJOKGTCCXQWVDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060355
OC(=O)NC(=Nc1ccc(cc1)CN1CCn2c1ccn2)O	SCHEMBL18939069	301.301	ACWUVTQDABUJFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060356
[O-][N+](=O)c1c(NCc2n3CCCc3nn2)ccc(c1)C(=O)C	PC-id_30019614	301.301	XFIPZBTXWVBZPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060357
Cn1c(NCc2nnc3n2CCC3)c(C#N)c(=O)n(C)c1=O	CoCoCo_4474540,ZINC22_12755028,EMOLS-id_44026673,MCULE-2329416123,PC-id_24590575	301.304	YFOXZLPUZKFCHG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060358
NC(=O)NC1=CC(=N)C=C/C/1=Nc1c(=O)n2n(c1N)CCC2	SCHEMBL13680021	301.304	CEJUBBZPEVXFSY-HKTFEWMRSA-N	00000010100011000001000010000000000000000000000000000000	25-01-060359
NC(=O)NC1=CC(=N)C=C/C/1=N/c1c(=O)n2n(c1N)CCC2	SCHEMBL3861574	301.304	CEJUBBZPEVXFSY-FUSAAKIKSA-N	00000010100011000001000010000000000000000000000000000000	25-01-060360
NC(=O)NC1=CC(=N)C=CC1=Nc1c(=O)n2n(c1N)CCC2	SCHEMBL3861582	301.304	CEJUBBZPEVXFSY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-060361
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC2CCCC2)n1	EMOLS-id_1359683,ZINC22_303750,PC-id_798523,BAS-01939643,MCULE-1307782051,CoCoCo_224970	301.307	HYXFWLZAUWZHCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060362
CC(NC(=O)OCc1ccccc1)c1ncc2CC(O)Cn12	EMOLS-id_324748871	301.34	QISKQHGDIAGZKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060449
C=CC(=O)N(Cc1c2c(nn1C)CCC2)[C@H](C)C(F)(F)F	ZINC22_1875387951	301.307	GWPHWJXAKRIMQY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060363
FC(F)(F)CN(CC1CCC1)C(=O)c1n[nH]c2c1CCC2	PC-id_71862019,EMOLS-id_44578540,MCULE-4419325384	301.307	IUWDHUMRYKJNIT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-060364
O=C(C1(CCCC1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318919451	301.307	MIGHBMVNMFEBQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060365
O=C(c1cn2c(n1)CCC2)NC(C(F)(F)F)C1CCCC1	EMOLS-id_316908963,MCULE-1734844865	301.307	PDWHTTBJRAWIRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060366
O=C(c1n(C)nc2c1CCC2)NC(C(F)(F)F)C1CCC1	MCULE-9734831997,EMOLS-id_319918345	301.307	BIHZAWUUOWLZGK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-060367
O=C(c1n[nH]c2c1CCC2)NC1CCC(CC1)C(F)(F)F	EMOLS-id_110447234	301.307	CNBJPGVCNDXJPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060368
O=C(c1n[nH]c2c1CCC2)NC1CCCC(C1)C(F)(F)F	EMOLS-id_110447370	301.307	QZRNPIHAPHRCET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060369
O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cn2c(n1)CCC2	ZINC22_572962138	301.307	PDWHTTBJRAWIRS-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060370
O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cn2c(n1)CCC2	ZINC22_572962139	301.307	PDWHTTBJRAWIRS-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060371
CCc1cc2n(c1C(=O)c1ccccc1F)CCC2C(=O)O	SCHEMBL11603909,PC-id_20351636	301.312	SXDJNWWGNCJNEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060372
CCc1cc2n(c1C(=O)c1ccc(F)cc1)CCC2C(=O)O	CHEMBL355866,SCHEMBL10959796,PC-id_13780976	301.312	FSMLPSCEDRWLEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060373
COC(=O)c1c(cc2n1CS(=O)(=O)C2(C)C)C(=O)OC	PC-id_101024680	301.316	HMGSNZMBDUBOGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060374
Fc1ccc(cc1)C1(CCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318104341	301.316	YCHRIEPVGIHFRY-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-060375
Fc1ccc(cc1)N(C(=O)c1nn2c(c1)OCC2)C1CCC1	EMOLS-id_319302747	301.316	IZNZIUPKZVCPRQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-060376
O=C(NC1(c2ccccc2F)COC1)c1cnc2n1CCC2	EMOLS-id_316935109,PC-id_136566543,ZINC22_886644092,MCULE-4815053836	301.316	ROUZZYNXFJYNFL-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-060377
S1(=O)(=O)[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C	PC-id_11301067	301.316	JGWFIXOJJIGPFG-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060378
S1(=O)(=O)C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C	PC-id_15470567	301.316	JGWFIXOJJIGPFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060379
S(=O)(=O)(c1n2c(CCC2)c(c1C(=O)OC)C(=O)OC)C	PC-id_14669087	301.316	OLVDGNUZEHTXKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060380
OC(=O)C(N1C(=O)c2c(C1=O)csc2)Cc1ccccc1	SCHEMBL2986755,PC-id_68467198	301.317	DROZJBWJRNCEDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060381
O=C(c1cc2n(n1)CCO2)NS(=O)(=O)C1CCCOC1	EMOLS-id_112048048	301.319	BWWYSMJGEAYNCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060382
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)CC1CCCO1	EMOLS-id_112047994	301.319	DJUXMXRWNMLFEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060383
ONC(=O)[C@H](S(=O)(=O)C)CCN1Cc2n(C1=O)ccc2	SCHEMBL18617506	301.319	BGOCRVIYCDOXAW-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060384
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)C	MCULE-7254070268	301.32	AXBIVECYAPKASW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060385
n12nc(nc1sc(=Cc1ccccc1OC(=O)C)c2=O)C	MCULE-7311515049	301.32	RCVRHNMOEJKUJH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060386
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)C	MCULE-9528858772	301.32	CXRKTHLAQMXVMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060387
N#Cc1nn(c2c1CC(=O)C2)S(=O)(=O)c1ccc(cc1)C	SCHEMBL5523923,PC-id_23135159	301.32	OKNBCXAKIBBHMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060388
CC(=O)Nc1ccc(N/C=c/2sc3ncnn3c2=O)cc1	PC-id_117588259,ZINC22_256055484	301.324	IFZICFYBZFIPHT-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060389
n12ncnc1sc(=CNc1ccc(cc1)NC(=O)C)c2=O	MCULE-6899481249	301.324	IFZICFYBZFIPHT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060390
N#Cc1c(NC(=O)c2onc(c2)C2CC2)nc2n1CCS2	EMOLS-id_100998324	301.324	QXCFGYPRKTWGKO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-060391
O=C(NC1Cc2cscc2C1)c1coc(c2nn[nH]n2)c1	ZINC22_2325821682	301.324	OYCYYKMMWSDHNW-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-060392
CC1CC(c2n1ccn2)NCc1ccc(s1)C(F)(F)F	MCULE-8251510075,EMOLS-id_318204582	301.331	HYIZQGOIMDBTTM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060393
CC1CC(c2n1ccn2)NCc1ccsc1C(F)(F)F	EMOLS-id_318079927,MCULE-8214200214	301.331	HHEODYFYDCFBCB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060394
CC1CC(c2n1ccn2)NCc1cscc1C(F)(F)F	EMOLS-id_318089375,MCULE-9414411812	301.331	TWIILHVDERNSRV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060395
FC(c1ccn(n1)CCNC1CCc2c1scc2)(F)F	EMOLS-id_318452187,MCULE-3750780169	301.331	HCERFKLDDCWAPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060396
FC(Cn1ncc(c1)CNC1CCc2c1scc2)(F)F	EMOLS-id_318586301,MCULE-5251096764	301.331	DOVSCAXTVRFCTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060397
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005365,MCULE-2669741431	301.334	CDMIZKMRAOKNGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060398
FC(c1nnc(s1)NC(=O)c1sc2c(c1)CCC2)F	EMOLS-id_318695191	301.335	BXCBEWLYCLQLKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060399
O=C(C(c1nccs1)(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_318415477	301.335	HJJJHNZUSABXAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060400
s1c2CCCc2cc1C(=O)OCc1cc(ccc1F)C#N	PC-id_24577073	301.335	GTOSCEUQYJTLBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060401
Cc1coc(c1)C(=O)c1ccc2n1CCC2(C(C)C)C(=O)O	SCHEMBL11660989,PC-id_70628974	301.337	BDSAAORJZGYRSH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060402
CC(C1(CCn2c1ccc2C(=O)c1occc1C)C(=O)O)C	SCHEMBL11656974,PC-id_70628291	301.337	ITLULBHVXOZQNL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060403
CCCc1cc2n(c1C(=O)c1ccc(o1)C)CCC2C(=O)O	PC-id_20356111,SCHEMBL11662314	301.337	SDHORWNEUJLXTM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060404
CCCCc1coc(c1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL10956369,PC-id_20521932	301.337	PIBMHZCFZNYWFJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060405
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccco1)C)C	SCHEMBL11657256,PC-id_20356080	301.337	RYLQWMMLBVCKDW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060406
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(o1)C)C	SCHEMBL11663070,PC-id_20356098	301.337	FHGULIFJNKJWIR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060407
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccoc1)C)C	SCHEMBL11659073,PC-id_20356065	301.337	IWKDYMSOZVMPIO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060408
CC(OC(=O)C1CCn2c1ccc2C(=O)c1occc1C)C	PC-id_20356100,SCHEMBL11656971	301.337	OFSIKGGYXFHQND-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060409
CC(OC(=O)C1CCn2c1ccc2C(=O)c1occ(c1)C)C	PC-id_20356181,SCHEMBL11660986	301.337	FPAMKXJYPKGNCO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060410
COc1cc(ccc1OC)CC1CCc2c1cc([nH]2)C(=O)O	PC-id_59180063,SCHEMBL1007279	301.337	KFKMQTHZFLPTLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060411
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(o1)C(C)(C)C	PC-id_139746941	301.337	BQJCLNVRLFPLNN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060412
C(=O)(Nc1sc2CCCc2c1C#N)c1cccc(F)c1N	EMOLS-id_328098097,MCULE-1860980973,PC-id_81503307	301.339	WVIFKAMWBYUYMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060413
C(=O)(Nc1sc2CCCc2c1C#N)c1cc(F)ccc1N	EMOLS-id_328092465,PC-id_61116933,MCULE-9638925661	301.339	WTPXXTGSNGUYKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060414
N#Cc1ccc(c(c1)C(=O)NCc1sc2c(n1)CCC2)F	EMOLS-id_318461418	301.339	BQEOSYWTSJGSGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060415
N#Cc1cc(ccc1F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318526133	301.339	WAFJNJFSBVAYJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060416
N#Cc1ccc(c(c1)F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318751155	301.339	YJRJNHAUCPEAET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060417
N#Cc1c(F)cccc1C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318680340	301.339	QQSRLTBWQKJFEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060418
N#Cc1c(NC(=O)Nc2cccc(c2)F)sc2c1CCC2	PC-id_35279715,CoCoCo_6400499	301.339	AIUIJUUMTHPNGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060419
s1c2CCCc2c(c1NC(=O)c1cc(F)c(N)cc1)C#N	PC-id_62681315	301.339	KJRDTAZWWXROCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060420
s1c2CCCc2c(c1NC(=O)c1cc(N)ccc1F)C#N	PC-id_61117148	301.339	LSLUIQFFUSPWOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060421
s1c2CCCc2c(c1NC(=O)c1cc(N)cc(F)c1)C#N	PC-id_81552377	301.339	ADIKYTPVBGFDJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060422
s1c2CCCc2c(c1NC(=O)c1cc(N)c(F)cc1)C#N	PC-id_61117039	301.339	OCRVNNLYHIELBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060423
s1c2CCCc2c(c1NC(=O)c1c(F)cc(N)cc1)C#N	PC-id_61704220	301.339	HSDJNDKBTWBPKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060424
s1c2CCCc2c(c1NC(=O)c1c(N)cc(F)cc1)C#N	PC-id_63109789	301.339	NLDTVMODNXXWDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060425
c12CN(Cc1cnn2CCO)C(=O)CCOc1ccccc1	MCULE-3434853748,ZINC22_67866947,PC-id_56754920,EMOLS-id_36604388	301.34	JBWLZJGCVSLSID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060426
c12CN(Cc1nn(CC)c2CO)C(=O)OCc1ccccc1	EMOLS-id_324349036,MCULE-3943389389	301.34	ANWRQWLVJITNHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060427
c12CN(Cc1nn(C(C)C)c2O)C(=O)OCc1ccccc1	EMOLS-id_324341098,MCULE-6754471174	301.34	FZJGKOOQRYQYGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060428
c1(C(=O)Nc2ccc(cc2OC)OC)c2CCCc2n(C)n1	MCULE-2726444966,PC-id_110389104,EMOLS-id_179745376	301.34	ZBZGQMXMCRFMNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060429
c1(C(=O)Nc2ccc(c(OC)c2)OC)c2CCCc2n(C)n1	PC-id_110389105,MCULE-2512914350,EMOLS-id_179745379	301.34	RZKOLXBBOCAQEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060430
c1(C(=O)Nc2cc(OC)cc(OC)c2)c2CCCc2n(C)n1	EMOLS-id_320482828,PC-id_84467422,MCULE-6853179404	301.34	WZMANBGIYYECTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060431
c1(C(=O)Nc2c(OC)ccc(OC)c2)c2CCCc2n(C)n1	EMOLS-id_179745373,PC-id_110389103,MCULE-3728371228	301.34	NETWSGGINOVQMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060432
c1(C(=O)NCc2ccc(cc2)OC)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316335967,MCULE-2449575377	301.34	WSJBIHMNFJKQBZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060433
c1(C(=O)NCc2ccc(cc2)OC)cc2n(CC(OC)C2)n1	MCULE-2815973505	301.34	WSJBIHMNFJKQBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060434
c1(C(=O)NCc2ccc(c(OC)c2)OC)c2CCCc2[nH]n1	PC-id_110388851,MCULE-6953298833,EMOLS-id_179744631	301.34	WHHLZVZYRXWKGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060435
c1(C(=O)NCc2ccc(c(OC)c2)OC)cn2c(CCC2)n1	EMOLS-id_321295318,MCULE-1632591959	301.34	ALUAPXBTXCGEJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060436
c1(C(=O)N(C)CC(O)c2ccc(cc2)O)c2CCCc2[nH]n1	MCULE-1218919185,EMOLS-id_323257272	301.34	WPWAWBPMSFMDJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060437
c1(C(=O)NCCOc2ccccc2)cc2n(C[C@@H](OC)C2)n1	MCULE-9257248291,EMOLS-id_316340048	301.34	GJOLDHDOMHIFCL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060438
c1(C(=O)NCCOc2ccc(cc2)OC)c2CCCc2[nH]n1	EMOLS-id_179744661,MCULE-4190436039,PC-id_110388864	301.34	JQZWDTKTJFXZCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060439
c1(C(=O)NCCOc2ccc(OC)cc2)cn2c(CCC2)n1	MCULE-9544290247,EMOLS-id_321295831	301.34	ZHZNPMXLMAFUOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060440
c1(NC(=O)c2ccc(c(OC)c2)OC)n(C)nc2CCCc12	CoCoCo_5272997,ZINC22_16848294,EMOLS-id_22760379,MCULE-1167874199,PC-id_27376623	301.34	IBUHIUFCEFYNGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060441
c1(NC(=O)COc2ccccc2OC)n(C)nc2CCCc12	EMOLS-id_43484313,ZINC22_38511255,PC-id_45536816,MCULE-1048931757	301.34	CKXZNLFBYLWQND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060442
Cc1c2n(CCO2)nc1C(=O)NC(Cc1ccccc1)CO	PC-id_91959923	301.34	FXNUUXCCMPZARU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060443
Cc1c2n(CCO2)nc1C(=O)NCCC(c1ccccc1)O	PC-id_91959920	301.34	PBSMVVAJFHEZQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060444
Cc1ccccc1COCC(=O)N1Cc2n[nH]cc2[C@@H]1CO	ZINC22_1775987440	301.34	XESCWHTWWWJVLO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060445
Cc1ccccc1COCC(=O)N1Cc2n[nH]cc2[C@H]1CO	ZINC22_1775987441	301.34	XESCWHTWWWJVLO-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060446
Cc1ccc(o1)CNC(=O)c1oc2c(n1)CN(C2)CC1CC1	PC-id_97442812	301.34	NNFJFLYGWORGGM-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-060447
Cc1occc1C(=O)N1Cc2nc(CN3CCCC3)oc2C1	PC-id_97406067,EMOLS-id_46183523,ZINC22_96086751	301.34	YMTJBZGCHRRGRB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060448
CCOc1ccc(cc1CO)NC(=O)c1n[nH]c2c1CCC2	PC-id_112345243	301.34	RVIQWUMIYQOLAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060450
CN(C(=O)c1cc2n(n1)CCO2)[C@@H](CCO)c1ccccc1	ZINC22_377316365	301.34	ISJIRVHNLMRMEN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060451
CN(C(=O)c1cc2n(n1)CCO2)[C@H](CCO)c1ccccc1	ZINC22_377316368	301.34	ISJIRVHNLMRMEN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060452
COc1cccc(c1)C(CNC(=O)c1n[nH]c2c1CCC2)O	PC-id_111115419	301.34	RKHNQNULULIJLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060453
COc1cccc(c1)C(C(=O)NCc1n[nH]c2c1CCC2)O	EMOLS-id_320322848,MCULE-3416890829	301.34	PNXPDHQIBHDTAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060454
COc1cc(ccc1OC)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320051416,MCULE-2306603347	301.34	QBRGJYFEZDIFIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060455
COc1cc(ccc1OC)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319397188	301.34	XLJUFTJLNIDEMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060456
COc1cc(C)c(c(c1C)C)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_318750259	301.34	WCOUNIQSGFGZAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060457
COc1cc(C)cc(c1O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318917106	301.34	WOMIQYKBCIEZPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060458
COc1cc(CO)ccc1C(=O)NC1CC(n2c1ncc2)C	MCULE-6469977207,EMOLS-id_319891681	301.34	SGCKGUHDPJPGFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060459
COc1cc(CO)ccc1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_278546974	301.34	NPUNYEYTNGMBJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060460
COc1cc(CO)ccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319097510	301.34	VZTXTHQQGKZDHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060461
COc1cc(OC)cc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319328704	301.34	UEWYIKSZDXRMIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060462
COc1cc(OC)ccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320268045,MCULE-6260321716	301.34	BQMBKMBXSOIWHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060463
COCCNC(=O)c1nc2CN(Cc3ccccc3)Cc2o1	PC-id_97442813,EMOLS-id_44304362,ZINC22_96147289	301.34	BMNHWMRBUMELON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060464
COCCOc1cccc(c1)C(=O)NC1CCn2c1cnc2	EMOLS-id_177346200,MCULE-3366718258	301.34	LHSGELWULUKNBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060465
COCCOc1cccc(C(=O)N[C@H]2CCn3cncc23)c1	ZINC22_585122645	301.34	LHSGELWULUKNBX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060466
COCCOc1cccc(C(=O)N[C@@H]2CCn3cncc23)c1	ZINC22_585122646	301.34	LHSGELWULUKNBX-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060467
OCc1cc(CCNC(=O)c2n[nH]c3c2CCC3)ccc1O	EMOLS-id_319279175	301.34	KLIACCRDQHMIJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060468
OCC1N(Cc2c1c[nH]n2)C(=O)COCc1ccccc1C	MCULE-6782618049,EMOLS-id_317026851	301.34	XESCWHTWWWJVLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060469
O=C(c1nn2c(c1)OCC2)Nc1ccccc1OC(C)(C)C	EMOLS-id_318633825	301.34	BKBHCAMEQJPLQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060470
O=C(c1nn2c(c1)OCC2)Nc1cccc(c1)OC(C)(C)C	EMOLS-id_318721366	301.34	MEIHDVJDABWOOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060471
O=C(c1occ2c1CCC2)N1CCC(CC1)Cc1nocn1	MCULE-3779887964,EMOLS-id_320304134	301.34	NUOHSTFZDSIHMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060472
O=C(c1occ2c1CCC2)N1CCN(CC1)Cc1cocn1	MCULE-6873791877,EMOLS-id_320268420	301.34	LSSXOVWFTFQDLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060473
O=C(c1occ2c1CCC2)Nc1cc(nn1C)C1CCCO1	EMOLS-id_318672244	301.34	XQHDWAOTBFDYBM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060474
O=C(c1occ2c1CCC2)Nc1cnn(c1)C1CCCCO1	EMOLS-id_278978430	301.34	UGOGZVWREATUSW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060475
OCCC(N(C(=O)c1cc2n(n1)CCO2)C)c1ccccc1	MCULE-8566395665,EMOLS-id_316054740	301.34	ISJIRVHNLMRMEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060476
O(CC(=O)Nc1n(nc2c1CCC2)C)c1ccc(OC)cc1	PC-id_45536817	301.34	KGPMUUNEPBUAKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060477
O=C(Nc1n(nc2c1CCC2)C)c1cc(OC)cc(OC)c1	PC-id_45536272	301.34	XMECPBWXRWCPMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060478
O=C(Nc1n(nc2c1CCC2)C)c1c(OC)ccc(OC)c1	PC-id_45536367	301.34	AJCAPIIWRLSHCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060479
O=C(Nc1n[nH]c2CCCc12)Cc1cc(OC)cc(OC)c1	PC-id_9835990	301.34	MYURTWQJWPBDNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060480
O=C(Nc1n[nH]c2CCCc12)Cc1c(OC)c(OC)ccc1	PC-id_9835989	301.34	FIFMAHZUXCFYIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060481
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)[O-]	PC-id_74789718	301.34	XFDXXMRHDJLRRL-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-060482
s1c2CC[C@@H](c2nc1NC(=O)c1ccc(cc1)C)C(=O)[O-]	PC-id_42281831	301.34	XFDXXMRHDJLRRL-JTQLQIEISA-M	00000010100000110001000010000000000000000000000000000000	25-01-060483
s1c2CC[C@H](c2nc1NC(=O)c1ccc(cc1)C)C(=O)[O-]	PC-id_42281833	301.34	XFDXXMRHDJLRRL-SNVBAGLBSA-M	00000010100000110001000010000000000000000000000000000000	25-01-060484
Cc1c(C(=O)/C=C/c2ccc(C#N)cc2)c(C#N)c2n1CCC2	PC-id_53548733,ZINC22_65589682	301.342	YMFXFKHMRHTRHJ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060485
N#Cc1c2CCCn2c(c1C(=O)C=Cc1ccc(cc1)C#N)C	EMOLS-id_35772519,MCULE-6554769860,PC-id_72043602	301.342	YMFXFKHMRHTRHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060486
N#Cc1c2CCCn2c(c1C(=O)/C=Cc1ccc(cc1)C#N)C	PC-id_97464418	301.342	YMFXFKHMRHTRHJ-HJWRWDBZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060487
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1noc(C)n1	MCULE-7462081242,EMOLS-id_68916866,PC-id_118783304	301.344	FAEGIQCYYQZTKK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060488
c1(C(=O)NCc2nnc3CCCn23)c(C)[nH]c(C(=O)C)c1C	ZINC22_828133630,MCULE-1074197653,EMOLS-id_232882764	301.344	DRQCDPUEBKZYTN-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060489
c1(C(=O)NCCn2c(C)cc(nc2=O)C)c2CCCc2[nH]n1	MCULE-9385213400,ZINC22_67695035,EMOLS-id_36432592,PC-id_56706502	301.344	HVAAPPGBPQFQQS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060490
Cc1cn(nc1C(=O)N1Cc2c(C1)cn[nH]2)C1CCOCC1	EMOLS-id_316461861,MCULE-3154267090	301.344	GLGFIFKNYHYMRA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060491
Cc1nc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)no1	ZINC22_299773529	301.344	FAEGIQCYYQZTKK-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-060492
Cc1nc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)no1	ZINC22_299773530	301.344	FAEGIQCYYQZTKK-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060493
Cc1nn(c(c1)NC(=O)c1nn2CCOc2c1)C1CCCC1	PC-id_91959772	301.344	ZFMSTTHCNQHHMO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060494
Cc1n[nH]c(n1)N1CCN(CC1)C(=O)c1occ2c1CCC2	MCULE-6574618713,EMOLS-id_258009860	301.344	SBACIVUJLOZDKZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060495
CCc1nc(O)ccc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_2356135068	301.344	OQKRLPNJSKJSAL-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-060496
CCc1nc(O)ccc1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_2356135069	301.344	OQKRLPNJSKJSAL-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060497
CCc1[nH]c(=O)ccc1C(=O)NCC1Cc2nnc(C)n2C1	EMOLS-id_337749491	301.344	OQKRLPNJSKJSAL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060498
CC(C(c1nnc2n1CCC2)Nc1ccccc1[N+](=O)[O-])C	MCULE-8178336000,EMOLS-id_45663473,PC-id_71922516	301.344	CUDBRJMIHFEVNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060499
C#CCCC1(CCNC(=O)c2[nH]nc3c2COC3(C)C)N=N1	ZINC22_2325887320	301.344	GGUUJTBNCVGJTQ-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-060500
CC(C)[C@H](Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2	PC-id_97079315,ZINC22_89801905	301.344	CUDBRJMIHFEVNF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060501
CC(C)[C@@H](Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2	PC-id_97079316,ZINC22_89801908	301.344	CUDBRJMIHFEVNF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060502
CC(COc1ccc(cn1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_316728755	301.344	MBRHNHALGSALJQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060503
CC(C)Oc1ccc(C(=O)NCc2nnc3n2CCC3)cn1	MCULE-2434329906,EMOLS-id_31938712,PC-id_39296765,ZINC22_32059050,CoCoCo_4882947	301.344	YNXXDCVJYFHBHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060504
CCNc1c(c(=O)n2n1CCC2)N=C1C=C(C(=O)CC1=N)C	PC-id_136647177	301.344	BZRXKPLVZKXIEA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-060505
CCNc1n2CCCn2c(=O)c1/N=C/1C=C(C)C(=O)C=C1N	PC-id_57577966,SCHEMBL13963830	301.344	FONSRBXTMGXRAH-WOJGMQOQSA-N	00000010100011000001000010000000000000000000000000000000	25-01-060506
CCNc1n2CCCn2c(=O)c1/N=C
/C=C(C)C(=O)C=C1N	SCHEMBL3854944	301.344	FONSRBXTMGXRAH-WQRHYEAKSA-N	00000010100011000001000010000000000000000000000000000000	25-01-060507
CCNc1n2CCCn2c(=O)c1N=C1C=C(C)C(=O)C=C1N	SCHEMBL3854947	301.344	FONSRBXTMGXRAH-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-060508
CCN(CC)Cc1nc2c(o1)CN(C(=O)c1cnccn1)C2	PC-id_97406064,ZINC22_96086748	301.344	UJLXVFUORQPHMY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060509
CCOc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319120590	301.344	MXHWJCJLISRQSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060510
CCOc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319340573	301.344	RCILJKPUEHREOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060511
CCOc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319560435	301.344	LMPIIBHEBIFTOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060512
CCOc1cccc(NC(=O)NCc2nnc3n2CCC3)c1	ZINC22_48119024,EMOLS-id_36274323,PC-id_53526767,MCULE-9939009808	301.344	QSZFYVRHMVRMKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060513
CC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3n2CCC3)c1C	EMOLS-id_31371061,PC-id_30093798,ZINC22_22191081,MCULE-6214959561	301.344	WOUYGZODWYIAAS-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060514
CC(Oc1cnc(cn1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319216289	301.344	YUTBZKSNSSCRND-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060515
CC(Oc1cnc(cn1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318851175	301.344	UHIKIXVCAKOVDD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060516
CCOc1ncccc1C(=O)NCC1Cc2nnc(C)n2C1	PC-id_137336193,EMOLS-id_317457554,MCULE-8232450357	301.344	MFXCZJDWNVYFGB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060517
CCOc1ncccc1C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_65405195,PC-id_53501678,EMOLS-id_35688626,MCULE-8786774386	301.344	NPPWSFXQKBBJFY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060518
CCOc1ncccc1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1772706181	301.344	MFXCZJDWNVYFGB-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060519
CCOc1ncccc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1772706189	301.344	MFXCZJDWNVYFGB-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-060520
CC(Oc1ncc(cc1NC(=O)N1CCn2c1ncc2)C)C	EMOLS-id_318605276	301.344	ZQKDGEFDUNNYJB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060521
CCOC(=O)c1cnc(NCc2cnc3n2CCC3)nc1C	EMOLS-id_316956771,ZINC22_952991992	301.344	HGWPHONOWDXRAH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060522
Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cn1	MCULE-2861223874,ZINC22_328626576,EMOLS-id_316138266	301.344	LWRXFMUACHDGBU-GXTWGEPZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060523
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_275432847,MCULE-4615662026,EMOLS-id_316016433	301.344	VAVAQMONRMQBJX-AAEUAGOBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060524
Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_285533804,MCULE-5718506086,EMOLS-id_316065165	301.344	ROFVPCYUBLWDAD-FZMZJTMJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060525
CN(OCc1ccccc1)C(=O)NCc1nnc2n1CCC2	MCULE-5427943448,EMOLS-id_48328163,PC-id_75401454,ZINC22_95467188	301.344	LOWVNAOVVLUOGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060526
COc1cccc(c1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319369136	301.344	CKZZWMAZVUQGCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060527
COc1ccc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319519473	301.344	LVPGVPIIQGPRJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060528
COc1cccc(c1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319632437	301.344	AFZJPPDRCMFQBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060529
COc1ccc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319721389	301.344	NRXDEUKTPPGIFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060530
COc1cc(C)ccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319487078	301.344	OKWKMAKHPGXMEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060531
COc1cccc(CNC(=O)NCc2nnc3n2CCC3)c1	PC-id_38204954,ZINC22_31030616,MCULE-6660573665,EMOLS-id_36627176	301.344	HLXLTHRFFGVJDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060532
COc1cccc(NC(=O)NCCc2nnc3n2CCC3)c1	ZINC22_76092131,MCULE-6422573973,PC-id_72113720,EMOLS-id_43396628	301.344	HTROMFJBYCERNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060533
COc1ncccc1CN1Cc2c(C1)c(n[nH]2)C(=O)N(C)C	PC-id_97389034	301.344	VGGRYPGWSNJGMU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060534
COCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319049661	301.344	JFZBLDPYMGPUMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060535
COCc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319598613	301.344	SKQAXKZLSZLSAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060536
CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnn3c2CCC3)C1	ZINC22_1548973584	301.344	BFUBHJFHECXLRF-ZWNOBZJWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060537
CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnn3c2CCC3)C1	ZINC22_644121885	301.344	BFUBHJFHECXLRF-MFKMUULPSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060538
CO[C@H]1CN(C(C1)c1ncc[nH]1)C(=O)c1cnn2c1CCC2	EMOLS-id_316149344,MCULE-4957266074	301.344	BFUBHJFHECXLRF-VUUHIHSGSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060539
Oc1ccnc(n1)CCN(C(=O)c1n(C)nc2c1CCC2)C	EMOLS-id_318973524	301.344	LJFWUJOTZJAYRE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060540
O(c1c(NC(=O)NCc2n3CCCc3nn2)cccc1)CC	PC-id_60446756	301.344	ZGNZGTIAMQLOBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060541
O(c1c(NC(=O)NCc2n3CCCc3nn2)ccc(c1)C)C	PC-id_60545259	301.344	FIOBIFWKPPIWOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060542
O=C(c1cc2n(n1)CCO2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_319675822	301.344	RHVZFAMRQPODMV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060543
O=C(c1c(C)c(C)nn(c1=O)C)NCc1cnc2n1CCC2	EMOLS-id_319970472,MCULE-5461175141	301.344	DKBBOCQJBKXTGF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060544
O=C(c1c(C)c(C)nn(c1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319568090	301.344	WQIIDNUXUOLTGG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060545
O=C(c1cn2c(n1)CCC2)N1CCC(CC1)Cc1nocn1	EMOLS-id_319280880	301.344	GKQCAGZCRWQMHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060546
O=C(c1cnc2n1CCC2)N1CCC(CC1)Cc1nocn1	EMOLS-id_318873734	301.344	RDVMYUWEZCRWNT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060547
O=C(c1cnc2n1CCC2)Nc1cnn(c1)C1CCCCO1	EMOLS-id_316573841	301.344	ZRVJAZSBMICTOM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060548
O=C(c1cnn2c1CCC2)N1CCCCCC1c1ncon1	EMOLS-id_101335207	301.344	MVDKHUPHLCCRNB-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-060549
O=C(c1cnn2c1CCC2)Nc1cnn(c1)C1CCCCO1	EMOLS-id_316682691	301.344	RWCMOPDWGVEBFA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060550
O=C(c1cn[nH]c1C1CCCO1)NC1CC(n2c1ncc2)C	EMOLS-id_319715209	301.344	FHSAYSUSSIVQBQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060551
O=C(c1cn[nH]c1C1CCCO1)NCc1cnc2n1CCC2	EMOLS-id_320286228,MCULE-9999428256	301.344	AATUDLBOVNRRPY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060552
O=C(c1cn[nH]c1C1CCCO1)NCc1n[nH]c2c1CCC2	MCULE-5882780012,EMOLS-id_320158717	301.344	UDFDGDCWQQZWCT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060553
O=C(c1n(C)nc2c1CCC2)N1CC(C1)(O)c1ccnn1C	EMOLS-id_319004550	301.344	RIFFNRQTIFMSMT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-060554
O=C(c1n(C)nc2c1CCC2)N1CC(C1)(O)c1nccn1C	EMOLS-id_319553088	301.344	BDDUPXTUPMFRCR-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-060555
O=C(c1n(C)nc2c1CCC2)N1CCCC(C1)c1nocn1	EMOLS-id_320259458,MCULE-9941518501	301.344	ZOJRWNVRRQGXLS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060556
CCC(C(=O)Nc1n(C)nc2c1CCC2)c1ccc(cc1)F	EMOLS-id_318739123	301.359	VOSNERZWKAHIFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060599
O=C(c1nn2c(c1)CCC2)N1CCN(CC1)Cc1cocn1	EMOLS-id_320042617,MCULE-7002277191	301.344	AHSCAIFOMLDXSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060557
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)Cc1ccn[nH]1	EMOLS-id_319703444	301.344	ZTXUVIYIDRZEDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060558
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)Cn1cncc1	EMOLS-id_318907829	301.344	SBSCEICQCPJPQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060559
O=C(c1nn2c(c1)OCC2)Nc1n[nH]c(c1)C1CCCCC1	EMOLS-id_99581906	301.344	LVJBJLLHOOMARS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060560
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1cocn1	EMOLS-id_319940911,MCULE-3383748221	301.344	NFCJBECIVTXMFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060561
O=C(c1occ2c1CCC2)N1CCC(CC1)Cc1nnn[nH]1	EMOLS-id_319291038	301.344	TYKXXLLCIBBGHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060562
O=C(Cn1c(C)cc(nc1=O)C)NCc1n[nH]c2c1CCC2	MCULE-2897860774,EMOLS-id_319947617	301.344	JFHRYTOGXKJHLQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060563
O=C(N1CCCC1c1[nH]c(c(n1)C)C)c1cc2n(n1)CCO2	EMOLS-id_319008051	301.344	IPBYXJTUUVTJGC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060564
O=C(NC(c1n2CCCc2nn1)C)CCn1c(=O)cccc1	PC-id_78870885	301.344	VGSSUDCYSCYBHU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060565
O=C(NCc1n2CCCc2nn1)Nc1cc(ccc1)COC	PC-id_60450418	301.344	TVVYUNFGFXAVDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060566
O=C(NCc1n2CCCc2nn1)Nc1ccc(OCC)cc1	PC-id_60447350	301.344	XOCWBWAFQUUHBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060567
O=C(NCc1n2CCCc2nn1)Nc1c(OC)ccc(c1)C	PC-id_60446736	301.344	GNOCMUKNLJOFJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060568
O=C(NCc1nnc2n1CCC2)N(Cc1ccco1)C1CC1	PC-id_51084100,ZINC22_48302237,EMOLS-id_32005096,MCULE-2680977072	301.344	AVZPBDGEWUFZGX-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-060569
Cc1n[nH]c(n1)N1CCN(CC1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_316533444	301.347	ZNQUAQVQHSMMQP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060570
CC(C)c1cc(nc(N)n1)C(=O)NCc1nnc2CCCn12	MCULE-3852977777,EMOLS-id_50542099,PC-id_86286202	301.347	SVOGPAYJVULRPH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060571
CC(Nc1nnccc1C(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_319659617	301.347	SBUWCUCTWIWBIG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060572
CN(c1cncc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319465383	301.347	AVYUGGCNMXOMRV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060573
CN(c1nccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319327184	301.347	LSXKSINJKGLBGH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060574
o1c(NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)ncc1	PC-id_59703015	301.347	KBZQVMIGMJSXCV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-060575
O=C(c1cn2c(n1)CCC2)N1CCC(CC1)Cc1nnn[nH]1	EMOLS-id_319181248	301.347	FAXADWDZVJENAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060576
O=C(c1cnc2n1CCC2)N1CCCCC1Cc1n[nH]nn1	EMOLS-id_319202505	301.347	XTMDPQJHKZATIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060577
O=C(c1cnc2n1CCC2)N1CCC(CC1)Cc1nnn[nH]1	EMOLS-id_319559339	301.347	BWAZZLGKGSVGIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060578
O=C(c1cnn2c1CCC2)N1CCCCC1Cc1n[nH]nn1	EMOLS-id_318844675	301.347	BNOFZGLMGSBKID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060579
O=C(c1cnn2c1CCC2)N1CCC(CC1)Cc1nnn[nH]1	EMOLS-id_319683533	301.347	FGBODQSDDLIGIR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060580
O=C(C1NCc2c1c[nH]n2)N1CCCC(C1)Cn1nncc1	EMOLS-id_319727302	301.347	DPGKIMMQSUTBGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060581
O=C(N1CCCCC1Cc1n[nH]nn1)c1cn2c(n1)CCC2	EMOLS-id_319848107,MCULE-6733716638	301.347	ZMZKOYGGTUQQBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060582
O=C(N1CCCCC1Cc1n[nH]nn1)c1nn2c(c1)CCC2	EMOLS-id_318791286	301.347	KOVVCFIOQLJLMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060583
O=C(NCCc1n2CCCc2nn1)c1nnc(N(C)C)cc1	PC-id_60280170	301.347	VZFJBNJOCBGHAT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060584
FC(C1CCCC(C1)CNCc1cnc2n1CCC2)(F)F	MCULE-6356000650,EMOLS-id_318390533	301.35	GOIHWSXHKUMAPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060585
FC(C1CCC(CC1)CNCc1cnc2n1CCC2)(F)F	MCULE-7336348314,EMOLS-id_318176611	301.35	IRBVJUSMZNJLHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060586
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1C)F	EMOLS-id_331020473,MCULE-7531220131	301.359	ACGHPYUZOUCAFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060587
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1F)C	MCULE-6202634031,EMOLS-id_331020215	301.359	BOABVKSAZBUPSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060588
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)F	EMOLS-id_331020729,MCULE-1148364202	301.359	JNOINYRBNMJIQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060589
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(C)c1F	MCULE-4887784745,EMOLS-id_331019962	301.359	YERCBKGAGYVBTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060590
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(C)ccc1F	MCULE-8413439400,EMOLS-id_331019450	301.359	WRCJMFXFAZFFAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060591
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(C)cc(F)c1	EMOLS-id_331019706,MCULE-1897256779	301.359	HRYQWXGLNPUTJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060592
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)C	MCULE-3607230194,EMOLS-id_331019959	301.359	SIECWXMRMXNFLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060593
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(F)ccc1C	MCULE-6943606130,EMOLS-id_331020219	301.359	UCQPUSSDXJHEEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060594
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1C(=O)N	MCULE-1445930582,EMOLS-id_331020475	301.359	LSFRHBPNRUQFOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060595
CC(Cc1cccc(c1)F)CC(=O)NC1CCn2c1cnc2	MCULE-1445883060,EMOLS-id_177346191	301.359	XCKQTEYWHGWJKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060596
CCC(c1ccc(cc1)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319085637	301.359	WKIRYYAVCRECST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060597
CCC(c1ccc(cc1)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319198042	301.359	GRNYYPCCOHEBAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060598
C[C@@H](CC(=O)N[C@H]1CCn2cncc12)Cc1cccc(F)c1	ZINC22_585122666	301.359	XCKQTEYWHGWJKQ-DOMZBBRYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060600
C[C@@H](CC(=O)N[C@@H]1CCn2cncc12)Cc1cccc(F)c1	ZINC22_585122667	301.359	XCKQTEYWHGWJKQ-IUODEOHRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060601
C[C@H](CC(=O)N[C@@H]1CCn2cncc12)Cc1cccc(F)c1	ZINC22_585122668	301.359	XCKQTEYWHGWJKQ-SWLSCSKDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060602
C[C@H](CC(=O)N[C@H]1CCn2cncc12)Cc1cccc(F)c1	ZINC22_585122669	301.359	XCKQTEYWHGWJKQ-WFASDCNBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060603
Fc1ccc(cc1)C1OCCC(C1)NC1CCn2c1ncc2	EMOLS-id_318084094	301.359	QGZMQMJEVBPRBW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-060604
Fc1ccc(cc1)C(C1CCCO1)NC1CCn2c1ncc2	MCULE-1082859549,EMOLS-id_318114206	301.359	WJYFWBWJZSEMCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060605
Fc1ccc(cc1)CC(N(C(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_318519680	301.359	AFYIZEHNZNSUKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060606
Fc1ccc(cc1)C(C(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318464104	301.359	QMSAUEDPZUSJEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060607
Fc1cccc(c1)C(C(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318647863	301.359	SJBNWEBNRPMYEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060608
Fc1cccc(c1)C(C(=O)NCc1cnc2n1CCC2)(C)C	MCULE-5408387411,EMOLS-id_319989580	301.359	RUKFPIFQQGDNCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060609
Fc1cccc(c1)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_319892116,MCULE-8048739407	301.359	VYKOSGBVUUKVCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060610
Fc1ccc(cc1)[C@@H]1OCC[C@H]1CNC1CCn2c1ncc2	MCULE-1568732592,EMOLS-id_320024211	301.359	OFOHDUGLJYJULV-VFDRBLODSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060611
OC1CN(C(C1)c1ccc(cc1)F)Cc1cnc2n1CCC2	EMOLS-id_318061136	301.359	XMILDPYWCMCBMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060612
OC1CN(C(C1)c1cccc(c1)F)Cc1cnc2n1CCC2	EMOLS-id_318294561	301.359	XCROKUTVCCDMDX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060613
OC1CN(C(C1)c1cccc(c1)F)Cc1nn2c(c1)CCC2	EMOLS-id_318206316	301.359	AZXIMJJDHHUCMJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060614
OC1CN(C(C1)c1ccc(cc1)F)Cc1nn2c(c1)CCC2	EMOLS-id_318343399	301.359	DKRDOKVELWGXBJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060615
OCC1(CNC2CCn3c2ncc3)CC1c1ccc(cc1)F	EMOLS-id_318159702	301.359	KGZNKZRHRVNDNJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-060616
O=C(CC(c1ccccc1F)C)NCc1cnc2n1CCC2	EMOLS-id_318868236	301.359	PIVGJCVFFCMCDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060617
O=C(C(Cc1ccc(cc1)F)C)NCc1cnc2n1CCC2	EMOLS-id_319110064	301.359	ATEQKLZJOYWVJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060618
O=C(C(Cc1ccccc1F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319840324	301.359	QQLLUKHTZCKHEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060619
O=C(CC(c1cccc(c1)F)C)NCc1n[nH]c2c1CCC2	MCULE-1381281790,EMOLS-id_320243419	301.359	WPEQZNQMYRCBAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060620
O=C(CC(c1ccccc1F)C)NCc1n[nH]c2c1CCC2	MCULE-7024580276,EMOLS-id_319909512	301.359	AZRDPKZCVZODGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060621
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)O	SCHEMBL21247135,PC-id_738739,BindingDB_PC-id_738739,ZINC22_172994,EMOLS-id_1476339,STOCK3S-26767,ChEMBL-DNDi_CHEMBL6370379,ChEMBL-DNDi_CHEMBL1612570,TIMTEC228967,BAS-06103813,ChEMBL-DNDi_CHEMBL3759-1440,CoCoCo_345206,BindingDB-id_132939,MCULE-7845629415,CK1236877	301.36	IXHSGZNTCIERPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060622
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AN-153/I120918,ZINC22_38692,CK1267880,BAS-00675453,SPECS-id_AT-084/J157985,EMOLS-id_1260434,PC-id_675825,MCULE-7053188502,SPECS-id_AG-690/11662097,CoCoCo_116402	301.36	VXJGXSSIZRLTRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060623
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)O	ChEMBL-DNDi_CHEMBL1563057,CoCoCo_769381,CK1338778,MCULE-8379116375,CHEMBL1563057,PC-id_827749,ChEMBL-DNDi_CHEMBL6370513,EMOLS-id_2394598,STOCK3S-01089,CHEBI:122159,ZINC22_348429	301.36	ATOWWQNUFHSVDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060624
CCCc1cc2n(c1C(=O)c1cscc1)CC=C2C(=O)O	SCHEMBL11658455,PC-id_70628564	301.36	OARHHUHDDSNVDA-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-060625
Cn1nc2c(c1NS(=O)(=O)c1sccc1F)CCC2	EMOLS-id_318420108	301.36	VXQWRQRDEKGESV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060626
COC(=O)C1Cc2c(C1)c(c(s2)N)C(=O)c1ccccc1	PC-id_70366173,SCHEMBL10435176	301.36	IYABQPQYBXGRQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060627
COC(=O)c1ccc(cc1)C(=O)c1c(N)sc2c1CCC2	PC-id_14857462,SCHEMBL4060445	301.36	NRJZDSZARBVJPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060628
COC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	MCULE-8521004901,PC-id_26240346,CoCoCo_3319677,ZINC22_14787849,EMOLS-id_24026765	301.36	ZSEMHKHRRUKVHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060629
COC(=O)c1c(sc2c1CCC2)N=Cc1ccc(cc1)O	PC-id_135692867	301.36	ZOPOLDRTXCHAMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060630
COC(=O)c1c(sc2c1CCC2)N=Cc1ccccc1O	PC-id_135699907	301.36	DLMYZHCUPRYHSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060631
CSc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	CHEMBL277428,SCHEMBL10810361,PC-id_13687513	301.36	WWBBGICOHFLYSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060632
CSc1ccc2n1CCC2(C(=O)O)C(=O)c1ccccc1	PC-id_70585684,SCHEMBL11436153	301.36	GTCROZCAAYQTOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060633
CSc1ccccc1C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11436226,PC-id_23333102	301.36	FZONDUVNGVKSIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060634
CSc1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11443731,PC-id_23333042	301.36	MFHNVNLIYJPVAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060635
CSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	PC-id_67847759,SCHEMBL9417102	301.36	SVCSQZFLKZVIGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060636
CSc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	SCHEMBL9417098,PC-id_13487050,CHEMBL267278	301.36	QSIURURAAOPCLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060637
Fc1ccsc1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318926496	301.36	ICQRQOGVGXAJSE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060638
NC(=O)c1cccc(COC(=O)c2cc3c(s2)CCC3)c1	PC-id_71897053,ZINC22_84363997,MCULE-8674980520,EMOLS-id_44527814	301.36	JCCFEPODEHLKFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060639
NC(=O)[C@H](OC(=O)c1cc2c(s1)CCC2)c1ccccc1	CoCoCo_4504173,ZINC22_11508277,PC-id_42005810	301.36	RXVFMVNDFQBLSI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060640
NC(=O)[C@@H](OC(=O)c1cc2c(s1)CCC2)c1ccccc1	PC-id_42005807,CoCoCo_4504174,ZINC22_11508269	301.36	RXVFMVNDFQBLSI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060641
O=C(c1sc2c(c1)CCC2)Nc1cc(ccc1C)C(=O)O	EMOLS-id_50920437,PC-id_25733202,MCULE-3698386325	301.36	KMEBMCDHQLULOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060642
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)C)C(=O)O	PC-id_61826794,MCULE-8483283925,EMOLS-id_51388725	301.36	KGICPJMTEABPCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060643
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)C(=O)O)C	EMOLS-id_51740971,MCULE-3949723499,PC-id_63652259	301.36	PVPXBDLPWBUZCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060644
O=C(c1sc2c(c1)CCC2)NCc1ccc(cc1)C(=O)O	EMOLS-id_50911608,MCULE-2985687079,PC-id_25732437	301.36	ZQEZPAJLXFHIES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060645
O=C(c1sc2c(c1)CCC2)NC(c1ccccc1)C(=O)O	PC-id_43082093,EMOLS-id_50929917,MCULE-4630930106	301.36	ZECCEZMROAXTKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060646
O=C(c1sc2c(c1)CCC2)OC(c1ccccc1)C(=O)N	PC-id_18134995,MCULE-6860103890,EMOLS-id_24481417	301.36	RXVFMVNDFQBLSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060647
OC(=O)c1ccc(cc1)N(C(=O)c1sc2c(c1)CCC2)C	PC-id_104697945	301.36	GMRHIKKYTDVJGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060648
OC(=O)Cc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	MCULE-5484084808,EMOLS-id_71367929,PC-id_65346172	301.36	OJPDCGVVPIALKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060649
OC(=O)Cc1ccccc1NC(=O)c1sc2c(c1)CCC2	MCULE-7947265020,PC-id_62535910,EMOLS-id_51590474	301.36	HVRODXLOLJYBPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060650
OC(=O)Cc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_25767897,EMOLS-id_71348894,MCULE-5434084569	301.36	HWUAWWFFDRVBSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060651
s1c2CCCc2cc1CNC(=O)c1c(cccc1)C(=O)O	PC-id_61207405	301.36	YGHSZRPGRMXONC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060652
s1c2CCCc2cc1C(=O)Nc1c(cc(cc1)C)C(=O)O	PC-id_29546073	301.36	ZXDMFIKTSFMCJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060653
s1c2CCCc2cc1C(=O)N(c1ccccc1)CC(=O)O	PC-id_60832499	301.36	ZJZXLKXFFVNJSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060654
s1c2CCCc2cc1C(=O)Nc1c(c(ccc1)C)C(=O)O	PC-id_64254229	301.36	YBECSTYWMWXJRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060655
s1c2CCCc2cc1C(=O)Nc1c(cc(cc1)C(=O)O)C	PC-id_25764527	301.36	XATGNBRINZSXLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060656
s1c2CCCc2cc1C(=O)Nc1c(cccc1C(=O)O)C	PC-id_25767745	301.36	OAYPSIRLORHCHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060657
s1c2CCCc2cc1C(=O)N(c1c(cccc1)C(=O)O)C	PC-id_25768082	301.36	PBVKKRQWFQBYPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060658
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C(=O)OC	PC-id_43403965	301.36	URJCJEYHUCNFLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060659
s1c2CCCc2cc1C(=O)Nc1c(c(ccc1)C(=O)O)C	PC-id_60749051	301.36	ANSKTZDRAXAJOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060660
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)OC	PC-id_8764932	301.36	CXLLYJSXLQPMNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060661
s1c2CCCc2cc1C(=O)NCc1cc(ccc1)C(=O)O	PC-id_60893677	301.36	KUWZIYVKBKJUNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060662
s1c2CCCc2cc1C(=O)N[C@H](c1ccccc1)C(=O)O	PC-id_29793078	301.36	ZECCEZMROAXTKC-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060663
s1c2CCCc2cc1C(=O)Oc1ccc(NC(=O)C)cc1	PC-id_39644903	301.36	VWFOXGKSIMMDSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060664
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccccc1	PC-id_4336236	301.36	LQMYEOORGMFFJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060665
s1c2c(CCC2)c(c1N/C=C/1C=CC(=O)C=C1)C(=O)OC	PC-id_23795741	301.36	QGGLMMLZXMXJDF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-060666
s1c2c(CCC2)c(c1N/C=C
/C(=O)C=CC=C1)C(=O)OC	PC-id_23849328	301.36	QYXKJDVINVALGG-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-060667
s1c2c(CCC2)c(c1NC=C1C(=O)C=CC=C1)C(=O)OC	PC-id_74193047	301.36	QYXKJDVINVALGG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-060668
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)O	PC-id_28860201	301.36	ORRDHYBSTSNGPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060669
s1c2c(CCC2)c(c1NC(=O)Cc1ccccc1)C(=O)O	PC-id_28860227	301.36	JFNCDYNRYHVOMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060670
s1c(C(=O)c2n3c(cc2CC)C(=CC3)C(=O)O)cc(c1)C	PC-id_70628749	301.36	PQTGQKVWWCNNNQ-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-060671
C1(=Cc2cc[n+](cc2)Cc2ccccc2)Cn2c(ccc2)C1=O	MCULE-9583822285,PC-id_18532481	301.362	HAEAJCLNZCALOK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-060672
C1Cc2cc(nn2C1)CNC1CCN(C1)c1c(cccn1)F	EMOLS-id_316873431,MCULE-3054617071,PC-id_136551904	301.362	BOWARCBTJQLLQU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-060673
c1(NC(=O)COC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_5065640,MCULE-1986207064,PC-id_7484572,EMOLS-id_24895154,ZINC22_5077878	301.362	TYOPOLCWLSIFLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060674
CC1(C)COCC(O1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319729125	301.362	SIUDCMPSEADKJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060675
CC1OCCC1(O)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100863297	301.362	HYPBHWBPYLQYNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060676
CCCCC(C(=O)O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_303075249,MCULE-4099448560,PC-id_120393989	301.362	HMSVDFVJOAXYGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060677
CCCC[C@@H](C(=O)O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_72219122,MCULE-2115051238,PC-id_120395382	301.362	HMSVDFVJOAXYGT-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-060678
CC(CC(C(=O)O)NS(=O)(=O)c1cnc2n1CCC2)C	MCULE-9021347110,EMOLS-id_72218720,PC-id_120393648	301.362	XYMQSLOPDQGSDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060679
CC(C[C@H](C(=O)O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_72219312,MCULE-6298182486,PC-id_120395096	301.362	XYMQSLOPDQGSDR-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060680
CC(C[C@@H](C(=O)O)NS(=O)(=O)c1cnc2n1CCC2)C	MCULE-2044509741,PC-id_120394913,EMOLS-id_72224456	301.362	XYMQSLOPDQGSDR-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-060681
CCC(C)N(C)C(=O)c1nc2CN(Cc2o1)S(=O)(=O)C	EMOLS-id_44366488	301.362	TXHJPKVJDBPHCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060682
CC[C@@H]([C@@H](C(=O)O)NS(=O)(=O)c1cnc2n1CCC2)C	PC-id_120394697,EMOLS-id_72224350,MCULE-8857742116	301.362	YWEUUMLNOVRHHM-KWQFWETISA-N	00000010100000000001000010000000000000000000000000000000	25-01-060683
CC[C@H](C)N(C)C(=O)c1nc2c(o1)CN(S(=O)(=O)C)C2	PC-id_97515423,ZINC22_96254371	301.362	TXHJPKVJDBPHCT-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060684
CC[C@@H](C)N(C)C(=O)c1nc2c(o1)CN(S(=O)(=O)C)C2	ZINC22_96254369,PC-id_97515421	301.362	TXHJPKVJDBPHCT-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060685
CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101315676	301.362	TUUDDNQGGYCTPA-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060686
CCS(=O)(=O)c1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_118613834,SCHEMBL17380090	301.362	FGRJVFZLJLEUIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060687
CCS(=O)(=O)n1nc2c(c1)CN(C2)C(=O)OC(C)(C)C	PC-id_118614301,SCHEMBL17380568	301.362	IDGRXVSNWWYDRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060688
COCC1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100228654	301.362	CXBCZDKVMDMQQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060689
CO[C@@H]1CN(C[C@@H]1OC)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100494253	301.362	XIYCHAFJRBKZMD-AOOOYVTPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060690
Fc1ccccc1N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318730889	301.362	FARRXTUMNZNWPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-060691
Fc1cccnc1N1CCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318234440	301.362	MLSIBKJKFJSLCK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-060692
Fc1cccnc1N1CCC(C1)NCc1cnc2n1CCC2	MCULE-8863553499,EMOLS-id_318392067	301.362	HFFNHQAOYSPEDJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-060693
Fc1cccnc1N1CC[C@@H](NCc2cc3n(n2)CCC3)C1	ZINC22_1616043789	301.362	BOWARCBTJQLLQU-GFCCVEGCSA-N	00000010100000101001100010000000000000000000000000000000	25-01-060694
Fc1cccnc1N1CC[C@H](NCc2cc3n(n2)CCC3)C1	ZINC22_1616043790	301.362	BOWARCBTJQLLQU-LBPRGKRZSA-N	00000010100000101001100010000000000000000000000000000000	25-01-060695
O=C1/C(=C/c2cc[n+](Cc3ccccc3)cc2)/Cn2c1ccc2	PC-id_16314774	301.362	HAEAJCLNZCALOK-QGOAFFKASA-N	00000010100000111000000010000000000000000000000000000000	25-01-060696
O=C1/C(=Cc2cc[n+](Cc3ccccc3)cc2)/Cn2cccc12	ZINC22_9498934	301.362	HAEAJCLNZCALOK-AQTBWJFISA-N	00000010100000111000000010000000000000000000000000000000	25-01-060697
OC1(CCOCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100205284	301.362	GNKHYCKSFYYOQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060698
O=C(N1Cc2c(C1)cn(n2)CS(=O)(=O)C)OC(C)(C)C	PC-id_141411242	301.362	UBOAAEBQEKSALB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060699
O=C(N1Cc2c(C1)nc(n2C)S(=O)(=O)C)OC(C)(C)C	SCHEMBL17380734,PC-id_118614460	301.362	CSPSUMQORDHKIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060700
OC(=O)CCC(NS(=O)(=O)c1cnc2n1CCC2)(C)C	PC-id_122068873,MCULE-3830254490,EMOLS-id_72842745	301.362	CWBVNNOPYKNHOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060701
c12c(CCC1C(=O)N)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947630,MCULE-9532359312,EMOLS-id_12347321	301.363	RIMVWGBUXUHQJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060702
c12CCCc1n(C(=O)c1ccccc1)c(SCC(=O)N)n2	MCULE-1219661915,PC-id_4465731,ZINC22_392236	301.363	NDILFKNLIPLADH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060703
c1(NC(=O)c2c(CC)noc2C)sc2c(CCC2)c1C#N	CoCoCo_6843730,ZINC22_13327333,MCULE-1845098634,EMOLS-id_14315227,TIMTEC485019,PC-id_17173922	301.363	UQOAKVGXSSCCQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060704
c1(NC(=O)CNC(=O)c2ccccc2)sc2c(CCC2)n1	PC-id_33040249,EMOLS-id_323419491,MCULE-5312266786	301.363	PSFVNAIFAFKLJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060705
c1(sc2c(CCC2)n1)NC(=O)c1cccc(c1)NC(=O)C	PC-id_33039807,EMOLS-id_181475354,MCULE-5953221424	301.363	CFPJLDXQEGIQSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060706
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N)cc1	CoCoCo_5124849,PC-id_40946216,ZINC22_9132344	301.363	RIMVWGBUXUHQJW-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-060707
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N)cc1	PC-id_40946217,CoCoCo_5124848,ZINC22_9132345	301.363	RIMVWGBUXUHQJW-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060708
CCc1ccc(/C=c/2sc3nc(COC)nn3c2=O)cc1	EMOLS-id_324898319	301.363	AXMWHBXRFVHSQV-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060709
CCCc1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324845797	301.363	CXAYYSYSXLRFGJ-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060710
CC(C)c1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324847854	301.363	HSUYEGWWLZHLRB-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060711
CC(C)(C)c1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324849893	301.363	ZTAIDKGBIBAJIX-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060712
CC(C)(C)c1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324849890	301.363	PKIITQSXHFMSTL-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060713
CCCCOc1ccc(/C=c/sc3ncnn3c2=O)cc1	EMOLS-id_45962304,ZINC22_1820662	301.363	ICMFAXCJZSLDPQ-UKTHLTGXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060714
CCCNC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	PC-id_69845180,SCHEMBL6629840	301.363	UMIFWBOFJKJKCG-JXMROGBWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-060715
CCCNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL6629839	301.363	UMIFWBOFJKJKCG-YFHOEESVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-060716
CCCNC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	SCHEMBL6629841,PC-id_18626972	301.363	UMIFWBOFJKJKCG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-060717
CCCOc1cccc(/C=c/2sc3nc(C)nn3c2=O)c1	EMOLS-id_324843745	301.363	SQHQZJXRAYYGKA-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-060718
CC(C)Oc1cccc(/C=c/2sc3nc(C)nn3c2=O)c1	EMOLS-id_324844769	301.363	RQWNTZKUFDWWES-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060719
CCOc1ccc(/C=c/2sc3nc(CC)nn3c2=O)cc1	EMOLS-id_324841702	301.363	JLDDZYMCXPIMFK-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060720
CCOc1cccc(/C=c/2sc3nc(CC)nn3c2=O)c1	EMOLS-id_324844778	301.363	ZGIITANKJHDORK-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060721
CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	MCULE-4056602674,EMOLS-id_21277412,ZINC22_6304285,CoCoCo_4164016,PC-id_5115913	301.363	RWEWJGVFATZPNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060722
COc1ccccc1/C=c/1sc2nc(nn2c1=O)C(C)C	EMOLS-id_324847849	301.363	FCXMWUMJNOAVFP-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060723
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1	EMOLS-id_324846312	301.363	QZSIKODDJWSJML-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060724
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)C)c1	EMOLS-id_324848873	301.363	YFNPMGCWLNADDH-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060725
n12c(=O)c(=Cc3ccccc3OC)sc1nc(C(C)C)n2	MCULE-4313904856	301.363	FCXMWUMJNOAVFP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060726
n12c(=O)c(=Cc3cc(C)ccc3O)sc1nc(C(C)C)n2	MCULE-4002047060	301.363	HSUYEGWWLZHLRB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060727
n12c(=O)c(=Cc3cccc(O)c3)sc1nc(C(C)(C)C)n2	MCULE-5593371728	301.363	ZTAIDKGBIBAJIX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060728
n12c(=O)c(=Cc3cccc(OC)c3)sc1nc(C(C)C)n2	MCULE-4770031701	301.363	YFNPMGCWLNADDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060729
n12c(=O)c(=Cc3ccc(O)cc3)sc1nc(C(C)(C)C)n2	MCULE-2686676375	301.363	PKIITQSXHFMSTL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060730
n12c(=O)c(=Cc3ccc(OC)cc3)sc1nc(C(C)C)n2	MCULE-7113475778	301.363	QZSIKODDJWSJML-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060731
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)COC	MCULE-9199208887	301.363	AXMWHBXRFVHSQV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060732
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCC	MCULE-3503522091	301.363	HEIZJGXYXJKNTC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060733
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)CCC	MCULE-5817486772	301.363	PZTVPGZQZDRPEO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060734
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)CC	MCULE-5132654083	301.363	JLDDZYMCXPIMFK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060735
n12ncnc1sc(=Cc1ccc(cc1)OCCCC)c2=O	EMOLS-id_300024499,ChEMBL-DNDi_CHEMBL1573404,MCULE-2290662165	301.363	ICMFAXCJZSLDPQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060736
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)CCC	MCULE-4659026181	301.363	CXAYYSYSXLRFGJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060737
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CC(C)C	MCULE-3496203812	301.363	DHTKLOKFMVULKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060738
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCC	MCULE-4801884053	301.363	DDXXCJXZSWJYJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060739
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CC	MCULE-7550692596	301.363	ZGIITANKJHDORK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060740
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)C	MCULE-9414776305	301.363	RQWNTZKUFDWWES-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060741
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)CC(C)C	MCULE-4603611761	301.363	KBAHQAFVCZNAIE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060742
N#Cc1c(NC(=O)c2noc(c2)C(C)C)sc2c1CCC2	CHEMBL1406806,PC-id_3245767,MCULE-1905673154,ChEMBL-DNDi_CHEMBL1406806,EMOLS-id_2593720	301.363	WOJWUUKCLYKIQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060743
N#Cc1c(NC(=O)CNCc2ccco2)sc2c1CCC2	MCULE-6440572383,ZINC22_8344418,EMOLS-id_11723674,PC-id_9465958,CoCoCo_3683550	301.363	MNKNYKVMJMVCMJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-060744
NC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	EMOLS-id_30701241,PC-id_47020486,MCULE-9739832338,ZINC22_48310838	301.363	NVGNHGBBOWEAKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060745
O=C(c1ccccc1N)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4569768,PC-id_17467143,EMOLS-id_13531568	301.363	SKODMFPMUQVUGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060746
s1c2CCCc2nc1NC(=O)Nc1cc(ccc1)C(=O)C	PC-id_61510228	301.363	OAMKUVBBSWECNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060747
s1c2CCCc2nc1NC(=O)Nc1ccc(cc1)C(=O)C	PC-id_61510270	301.363	XADBJXBFJZEBAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060748
s1c2CNCc2nc1NC(=O)/C=C/c1ccc(OC)cc1	PC-id_82194110	301.363	IGVFFGPOTLCQNE-QPJJXVBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060749
s1c2CN(Cc2nc1N)C(=O)/C=C/c1ccc(OC)cc1	PC-id_82194221	301.363	NHCIPKWPACUPAO-QPJJXVBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060750
S(=O)(=O)(n1nc(c2CC(Cc12)C)C#N)c1ccc(cc1)C	PC-id_58713630	301.363	VGNBFSXQLGDOKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060751
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NN	MCULE-1302687754,CoCoCo_676506,PC-id_793652,ChEMBL-DNDi_CHEMBL5665665,EMOLS-id_2091429	301.364	VLEMEXIYQNZDOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060752
c1(NC(=O)c2ccccn2)sc2c(CCC2)c1C(=O)NC	MCULE-5539561186,EMOLS-id_334333394	301.364	DFVMNYNXHAUYFQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060753
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)NC	MCULE-1775927459,EMOLS-id_334329554	301.364	HHSVPWKUAOAIBC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060754
c1(NC(=O)c2ccncc2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334332624,MCULE-6162523521	301.364	MAXQAXLOUBAMAH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060755
c1(NC(=O)c2cc(on2)CCC)sc2c(CCC2)c1C#N	CHEMBL1375226,BindingDB-id_61381,BindingDB_PC-id_5309527,MCULE-4911016895,EMOLS-id_2593782,PC-id_5309527	301.364	BVRIVRRUMJNENF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060756
c1(NC(=O)Nc2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_4325031,SCHEMBL8290385,EMOLS-id_181348313,MCULE-4790820930	301.364	HHNDWADMVDWEJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060757
CCCc1nc2s/c(=Cc3ccccc3OC)/c(=O)n2n1	EMOLS-id_324845792	301.364	HEIZJGXYXJKNTC-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060758
CCCc1nc2s/c(=Cc3cccc(OC)c3)/c(=O)n2n1	EMOLS-id_324846816	301.364	DDXXCJXZSWJYJC-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060759
CCCc1nc2s/c(=Cc3ccc(OC)cc3)/c(=O)n2n1	EMOLS-id_324844270	301.364	PZTVPGZQZDRPEO-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060760
CC(C)Cc1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324860129	301.364	DHTKLOKFMVULKE-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060761
CC(C)Cc1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324856046	301.364	KBAHQAFVCZNAIE-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060762
CCCCOc1ccc(cc1)/C=c/1sc2n(c1=O)ncn2	ZINC22_13116013,STOCK2S-27000,EMOLS-id_4431635	301.364	ICMFAXCJZSLDPQ-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-060763
CCCCOc1ccccc1/C=c
/sc2n(c1=O)ncn2	ZINC22_4351072,STOCK3S-42647,EMOLS-id_1126530	301.364	NSWPILCUKGVFFD-UKTHLTGXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060764
n12ncnc1sc(=Cc1ccccc1OCCCC)c2=O	MCULE-7553061568	301.364	NSWPILCUKGVFFD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060765
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)C	MCULE-4625392307	301.364	SQHQZJXRAYYGKA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-060766
N#Cc1cc(c(o1)C)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318587997	301.364	QZAITLADHUBTDY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060767
N#Cc1c(NC(=O)Cc2c(C)noc2C)sc2c1CCC2	EMOLS-id_318569370	301.364	PPUYPNQJNKZSCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060768
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C(=NO)N	PC-id_61133827	301.364	BAASQMTWYGAKLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060769
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=NO)N	PC-id_61135213	301.364	MEHAZZKGESMWTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060770
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C(=NO)N	PC-id_61135626	301.364	VMQXZVXSMOMCQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060771
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(nc1)C	PC-id_31118160	301.364	XPZFFNOFKWLODC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060772
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NC	PC-id_16947038	301.364	JAUHTQFQBIHVIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060773
CC(c1nnc2n1CCC2)NS(=O)(=O)N1CCOCC1	EMOLS-id_98766197	301.365	OWIKLFBCADWOBT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060774
c1(cc(no1)CC)c1nccn1Cc1cn2c(SCC2)n1	EMOLS-id_43090981,ZINC22_71682120,PC-id_56866084,MCULE-5748638488	301.367	ZSPWPYOJUOQREG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060775
c1(cn2c(scc2)n1)C(=O)N(C)Cc1c2CCCc2[nH]n1	PC-id_70774851,EMOLS-id_44741276,ZINC22_91943990,MCULE-5592448605	301.367	CTOMJVMVCAYQKD-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-060776
c1(cn(nn1)Cc1cn2c(SCC2)n1)c1ccc(CC)o1	MCULE-5688638215,PC-id_72875020,EMOLS-id_46051947,ZINC22_91586348	301.367	CZEHTGLWIQCBBS-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-060777
c1(C(=O)NCCc2cn3c(scc3)n2)c2CCCc2[nH]n1	PC-id_77081688,MCULE-5418626040,EMOLS-id_49871874,ZINC22_215206610	301.367	BBTAFYPNCUMAOZ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-060778
n1c[nH]cc1CC(N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327997598,MCULE-8079678507	301.367	MAIXBZCSXNFPFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060779
N#CCCn1ncc(c1C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_316538745	301.367	POINAXMZFFGTGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060780
NCCn1cnc(c1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_107497766	301.367	BEZMMVSOPPMMQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060781
O=C(Cc1csc2n1ccn2)Nc1n(C)nc2c1CCC2	EMOLS-id_100381402	301.367	DWYWYHMWSXIWDL-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-060782
O=C(Cc1csc2n1ccn2)NCc1cnc2n1CCC2	EMOLS-id_319533069	301.367	ZRHNTLLSAYWFEC-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-060783
O=C(Cc1csc2n1ccn2)NCc1n[nH]c2c1CCC2	EMOLS-id_320066199,MCULE-6224140390	301.367	GJWOSJAIBMCJOR-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-060784
s1c2CCCc2c(c1NC(=O)c1nc([nH]n1)C(C)C)C#N	PC-id_80384501	301.367	NJDJZZIHBOCALG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060785
s1c2CCCc2c(c1NC(=O)c1nc([nH]n1)CCC)C#N	PC-id_80384526	301.367	JLLUFRCCARDCTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060786
s1c2CCCc2c(c1NC(=O)c1n(ncc1N)CC)C#N	PC-id_65357689	301.367	AQCGSTZKWCNATN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060787
s1c2CCCc2c(c1NC(=O)c1n(nc(c1N)C)C)C#N	PC-id_66125142	301.367	DJGVPRJJBMTLNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060788
s1c2CCCc2c(c1NC(=O)c1nn(CC)cc1N)C#N	PC-id_65358189	301.367	FQWYYEVTPBRFQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060789
s1c2CCCc2c(c1NC(=O)c1n[nH]c(c1N)CC)C#N	PC-id_62081118	301.367	HZPFZQHCCBOKJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060790
FC1CCC(C1)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319605556	301.38	UVLJNYBTKWXUEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060791
o1c2c(CCC2)c(C(N)c2cc(c(OC)cc2)C)c1COC	PC-id_83610079	301.38	XUCMCTXMAKJBCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060792
o1c2c(CCC2)c(C(N)c2ccc(OCC)cc2)c1COC	PC-id_83610078	301.38	FFWZQMMZIFUHEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060793
o1c2c(CCC2)c(C(N)c2cc(OC)c(OC)cc2)c1CC	PC-id_83610230	301.38	ZCPYQAGSHVKKMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060794
o1c2c(CCC2)c(C(N)c2c(OC)ccc(c2)C)c1COC	PC-id_83610080	301.38	OCIWZUNTBBERBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060795
o1c2c(CCC2)c(C(N)c2c(OC)ccc(OC)c2)c1CC	PC-id_83610231	301.38	KQUCRHUDPMFOFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060796
o1c2c(CCC2)c(C(N)c2c(OC)cc(OC)cc2)c1CC	PC-id_83610229	301.38	OHSWHYAIDJSHNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060797
C/C=C/c1cc2c(s1)S(=O)(=O)N(C2)C(C(=O)O)CC	PC-id_70258166,SCHEMBL8027424	301.382	MWMYEGMYGRYZOM-HWKANZROSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060798
N#Cc1ccc(cc1F)C(NCc1sc2c(n1)CCC2)C	MCULE-1503526521,EMOLS-id_318605071	301.382	LGIYVVQCOKRMAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060799
O=C1c2c(n(c(c2)Cc2ccccc2)Cc2ccccc2)CC1	PC-id_54758252	301.382	SHOYLGBYNIFEIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060800
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)C1CCOC1	EMOLS-id_111774481	301.382	DOFKPVSKRVBPNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060801
S1(=O)(=O)Cc2c(sc(c2)C(=O)NCC2OCCC2)C1	PC-id_3242143,CHEMBL1569258	301.382	RFOULFLTRLHQAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060802
S1(=O)(=O)N(Cc2c1sc(c2)C=CC)C(CC)C(=O)O	PC-id_77805300	301.382	MWMYEGMYGRYZOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060803
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)CC1CC1	PC-id_64987249	301.382	XVMHPXSEOPGBFB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-060804
c12CN(Cc1nn(CC1CCC1)c2C#C)C(=O)OC(C)(C)C	MCULE-7343566282,EMOLS-id_324360801	301.383	VLCHDYWWBJGAAD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-060805
c12CN(Cc1nn(CC1CCCCC1)c2C#C)C(=O)OCC	MCULE-2924539461,EMOLS-id_324358753	301.383	OPQHKHRQMBLRMA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-060806
c1(c2CCCc2[nH]n1)C(=O)N(Cc1ccco1)C(C)C(C)C	MCULE-2153908979,EMOLS-id_31625607,PC-id_46999123	301.383	POJXVEKUCMSCPI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060807
C1Cc2c(n(c(=O)n2C1)CCCCNCc1ccccc1)O	BindingDB_PC-id_91930434,PC-id_91930434	301.383	ZXSWVOTXZMPJGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060808
Cc1oc(C(C)(C)C)cc1C(=O)Nc1c2c(nn1C)CCC2	ZINC22_930592125,EMOLS-id_316962203,MCULE-1199297867,PC-id_136562782	301.383	PIHSZLNDXYZYQS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060809
CCc1ccc(o1)CN1Cc2c(C1)nc(o2)CN1CCCC1	PC-id_97520340	301.383	PPSDOYXVUMUVHI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060810
CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1n[nH]c2c1CCC2	PC-id_95228955,ZINC22_67965768	301.383	POJXVEKUCMSCPI-GFCCVEGCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060811
CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1n[nH]c2c1CCC2	ZINC22_67965770,PC-id_95228956	301.383	POJXVEKUCMSCPI-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060812
CCCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109310	301.383	CAPNCGUXJGMUDI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060813
Cn1nc(cc1NC(=O)c1occ2c1CCC2)CC(C)(C)C	EMOLS-id_318642604	301.383	LKSMHANZBYKHDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060814
CN(C(=O)c1occ2c1CCC2)Cc1n[nH]c(c1)C(C)(C)C	EMOLS-id_318535939	301.383	MTSXVIQNQONDJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060815
COc1ccc(Cn2nc3CCC(C)c3c2CN)cc1OC	MCULE-1525674601,EMOLS-id_330994105	301.383	UXEXKSXQGZYIHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060816
COc1ccc(Cn2nc3CCC(C)c3c2CN)c(OC)c1	MCULE-3119711820,EMOLS-id_330994361	301.383	YIUMVYLGDOHWLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060817
COc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1OC	MCULE-5802327311,EMOLS-id_331012350	301.383	KGBWJFMEVCJMGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060818
COc1ccc(Cn2nc(CN)c3C(C)CCc23)c(OC)c1	EMOLS-id_331012606,MCULE-3389602814	301.383	BZZYUQXMOGJAJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060819
O(C1C(CC(CC1C)C)C)C(=O)c1c(c(=C)n2ncnc12)C	PC-id_59480072	301.383	DJTLDHDKMHYVMP-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-060820
O=C(c1cc(oc1C)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319607148	301.383	JYDDTEYYDQLSRR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060821
O=C(c1cn2c(n1)CCC2)NC1CCCC23C1CC2CCO3	EMOLS-id_319202041	301.383	FCUAFGBBVWKYHS-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-060822
O=C(c1n[nH]c2c1CCC2)NC1CCCC23C1CC2CCO3	EMOLS-id_319212750	301.383	YSWYQOZSPQIQMD-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-060823
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C(C)C	PC-id_92109312	301.383	HRMAAZGXCDECEZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060824
O=C(c1sc2c(c1)CCC2)N1CC(C1)NS(=O)(=O)N	EMOLS-id_320003965,MCULE-3114093735	301.385	AJVZSTJZHZPMRB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-060825
c1(cnn(CCC)c1C)C(=O)N(C)Cc1c2CCCc2[nH]n1	MCULE-9332676980,PC-id_72882292,ZINC22_91625609,EMOLS-id_46057227	301.387	ZFWAQNGGBURCPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060826
c1coc(CN2CCC(NCc3nnc4n3CCC4)CC2)c1	MCULE-7688361153,ZINC22_1506404679,EMOLS-id_316247084	301.387	FFSUZAOEOUIKPH-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-060827
CC1CC(c2n1ncn2)NCc1cccc(n1)OC(C)(C)C	EMOLS-id_318449014,MCULE-8143736514	301.387	GGEUZGFIUFSHHU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060828
CC1CC(c2n1ncn2)NCc1ccc(nc1)OC(C)(C)C	MCULE-7585707516,EMOLS-id_318422970	301.387	JOFQLXUYCJBXAO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060829
CC1CC(c2n1ncn2)NCC(c1ccco1)N1CCCC1	EMOLS-id_177293265,MCULE-6003888871	301.387	NJWFZFDXUZRMRQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060830
Cc1cc(C(=O)NCc2nnc3n2CCC3)c(C)n1C(C)C	PC-id_45803632,EMOLS-id_31870873,MCULE-2749497768,ZINC22_44894986	301.387	GVKUIRDCGQJCGQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060831
Cc1c(NCc2cnc3n2CCC3)cnn1C1CCOCC1	MCULE-1736014120,EMOLS-id_318307348	301.387	GAMSCTSTLKHBEM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060832
Cc1cnn([C@@H]2[C@@H](N[C@@H](C)c3cc4n(n3)CCC4)C[C@H]2O)c1	ZINC22_886077919	301.387	JVIMLXVFCUEROI-DANNLKNASA-N	00001010100000000001100010000000000000000000000000000000	25-01-060833
Cc1cnn([C@@H]2[C@@H](N[C@H](C)c3cc4n(n3)CCC4)C[C@H]2O)c1	ZINC22_886077921	301.387	JVIMLXVFCUEROI-MSQAHXEGSA-N	00001010100000000001100010000000000000000000000000000000	25-01-060834
Cc1noc(n1)C1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318363962,MCULE-5038741516	301.387	XAZQWEQZKDKZCV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060835
Cc1onc(n1)C1(CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_318213565,MCULE-1216683109	301.387	BOGSXRQTWMMSDJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060836
CCC(c1c(C)nn(c1C)C)NC(=O)c1nc2n(c1)CCC2	MCULE-6550085669,EMOLS-id_316910242	301.387	FXCIRJRPDDEQTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060837
CC(CC(n1cncc1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_320039221,MCULE-8437105878	301.387	UJWPSHJZSMOZMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060838
CC(CC(n1cncc1)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_319924114,MCULE-1333556904	301.387	NASJFKHYFTZGSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060839
CC[C@@H](NC(=O)c1cn2c(n1)CCC2)c1c(C)nn(C)c1C	ZINC22_567614834	301.387	FXCIRJRPDDEQTG-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060840
CC[C@H](NC(=O)c1cn2c(n1)CCC2)c1c(C)nn(C)c1C	ZINC22_567614835	301.387	FXCIRJRPDDEQTG-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060841
CCCn1nc(c(c1C)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319482357	301.387	WXXSXFHDVUPOEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060842
CCC(n1nc(cc1C)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319918788,MCULE-1170834332	301.387	NGBCRQHOPUMVSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060843
CC(Cn1ncc(c1C)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319935524,MCULE-9441219197	301.387	LVGDXXISXVBOAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060844
CCCn1nc(c(c1)CNC(=O)c1n(C)nc2c1CCC2)C	EMOLS-id_320024228,MCULE-6392561634	301.387	FXFNFBFEZQVJFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060845
CC(C(=O)NCc1cnc2n1CCC2)Cc1c(C)n[nH]c1C	EMOLS-id_319795990	301.387	NPQKILXCMAKKJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060846
C[C@@H]1C[C@H](NC[C@H](c2ccco2)N2CCCC2)c2ncnn12	ZINC22_585134871	301.387	NJWFZFDXUZRMRQ-HZSPNIEDSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060847
C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)N2CCCC2)c2ncnn12	ZINC22_585134872	301.387	NJWFZFDXUZRMRQ-MCIONIFRSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060848
C[C@@H]1C[C@@H](NC[C@H](c2ccco2)N2CCCC2)c2ncnn12	ZINC22_585134873	301.387	NJWFZFDXUZRMRQ-MGPQQGTHSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060849
C[C@@H]1C[C@H](NC[C@@H](c2ccco2)N2CCCC2)c2ncnn12	ZINC22_585134874	301.387	NJWFZFDXUZRMRQ-RDBSUJKOSA-N	00000010101000000001000010000000000000000000000000000000	25-01-060850
CCn1nc(c(c1C)CC(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319425442	301.387	LTLSOFTXBFYAEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060851
CCn1nc(c(c1C)CC(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319310529	301.387	YCLIVWRPPSJMNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060852
CCn1nc(cc1C(=O)NCc1n[nH]c2c1CCC2)C(C)C	EMOLS-id_318932313	301.387	IVTUSLDRCOBTAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060853
CC(=O)NCc1nn(c2c1CN(C2)Cc1ccc[nH]1)C(C)C	PC-id_97413582	301.387	GERIOENITJFRTJ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060854
Cn1c(cc(n1)C1CCCOC1)NCc1c2CCCn2nc1	EMOLS-id_316872154,PC-id_136551912,MCULE-1252851470	301.387	APOMSCWIJMCOOW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060855
Cn1ccnc1C1(O)CCN(CC1)Cc1nn2c(c1)CCC2	MCULE-5861740126,EMOLS-id_319978180	301.387	HKXQBXMYUYRVHB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060856
Cn1nc2c(c1CNc1nnc(C3CCCCC3)o1)CCC2	ZINC22_902041235,MCULE-6484771979,EMOLS-id_316935934	301.387	MXSAGJBGKZUTBN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060857
Cn1nccc1C1(O)CCN(CC1)Cc1nn2c(c1)CCC2	EMOLS-id_318927567	301.387	KCMGHNWJTUGKMM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060858
Cn1nc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C(C)(C)C	MCULE-4897437003,EMOLS-id_320142781	301.387	JEUARWGINNCFEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060859
Cn1nc(cc1NCc1cnc2n1CCC2)C1CCCOC1	MCULE-9265303830,EMOLS-id_318199559	301.387	KJGSCDPEWFQTFQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060860
Cn1nc(cc1NC(=O)c1cnc2n1CCC2)CC(C)(C)C	EMOLS-id_318676280	301.387	BWJJOZFZVXLPNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060861
Cn1nc(cc1NC(=O)c1cnn2c1CCC2)CC(C)(C)C	EMOLS-id_318628829	301.387	CUHOZFJDUMRFNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060862
Cn1nc(cc1NC(=O)c1nn2c(c1)CCC2)CC(C)(C)C	EMOLS-id_318437280	301.387	JSIZZUVXNCGKCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060863
CN(c1cc(OCc2nnc3n2CCC3)cc(c1)N(C)C)C	MCULE-9658864865,EMOLS-id_320180898	301.387	NVLPGYQROJRAHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060864
O=C(c1cc(nn1C)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320021930,MCULE-8731399345	301.387	LWEZWDRAFIWFFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060865
O=C(c1cnc2n1CCC2)NC(C(C)(C)C)Cn1cncc1	EMOLS-id_318504717	301.387	ZPVGANSWLTTWGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060866
O=C(c1cnn(c1C)C(C)(C)C)NCc1cnc2n1CCC2	MCULE-2004878518,EMOLS-id_320013315	301.387	MMAGOGXXWQFHDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060867
O=C(c1cn(nc1C)C(C)(C)C)NCc1cnc2n1CCC2	MCULE-7171643939,EMOLS-id_320122990	301.387	SIIYNRVGSBCDOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060868
O=C(c1cn(nc1C)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319502542	301.387	KUZNMWXSYGJYIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060869
O=C(c1cnn(c1C)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320247092,MCULE-5439150534	301.387	MSEMQLRUBXSKGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060870
O=C(c1nn(c(c1)C)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319397332	301.387	SZENAMZPYXGJJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060871
O=C(c1nn(c(c1)C)C(C)(C)C)NCc1n[nH]c2c1CCC2	MCULE-8945293793,EMOLS-id_320172481	301.387	NEJPSTXGAGMCPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060872
O=C(C(c1c(C)nn(c1C)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98809552	301.387	FKKUOZUKZWCLGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060873
O=C(CC(n1nc(cc1C)C)C)NCc1cnc2n1CCC2	EMOLS-id_319258800	301.387	GCTHNTKUSPDTNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060874
O=C(CC(n1nc(cc1C)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318862756	301.387	DVVOMSDOXLBBMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060875
O[C@@H]1CC(C[C@H]1NCc1cnc2n1CCC2)Cn1cccn1	MCULE-4946920872,EMOLS-id_324004574,PC-id_146112427	301.387	XAJYSSJTTPIWEA-JENMUQSASA-N	00000010100000000001000010000000000000000000000000000000	25-01-060876
O[C@@H]1C[C@@H]([C@H]1n1ncc(c1)C)NC(c1nn2c(c1)CCC2)C	MCULE-8458806072,EMOLS-id_316090730	301.387	JVIMLXVFCUEROI-AGFRTNFISA-N	00001010100000000001100010000000000000000000000000000000	25-01-060877
O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1cnc2n1CCC2	ZINC22_1875400342	301.387	XAJYSSJTTPIWEA-BPLDGKMQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060878
O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cnc2n1CCC2	ZINC22_1875400343	301.387	XAJYSSJTTPIWEA-NWANDNLSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060879
O=C(Nc1n(C)nc2c1CCC2)CCn1ccnc1C(C)C	EMOLS-id_99901143	301.387	UQZOXETURFSLAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060880
O=C(Nc1n(C)nc2c1CCC2)CC(n1nc(cc1C)C)C	EMOLS-id_318581960	301.387	BKXFRYPBIXANHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060881
O=C(NCc1cnc2n1CCC2)CCc1c(C)nn(c1C)C	EMOLS-id_318856087	301.387	UZDHRHUCPRDKRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060882
Cc1n[nH]c(c1)N1CCC(CC1)NC1CC(n2c1ncn2)C	MCULE-4290566448,EMOLS-id_320199312	301.39	NJJUMIAVUMSDKP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060883
CC(c1nc(nc(n1)N(C)C)NC1CC(n2c1ncc2)C)C	EMOLS-id_318376320,MCULE-7920406874	301.39	PHKHAAQREDWZRK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060884
CCNC(=NCc1nnc2n1CCC2)NCCn1cccc1	PC-id_109530936	301.39	MOUDNABKAKCBOQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060885
CN(C)[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@@H]1n1ccnn1	ZINC22_859759677,EMOLS-id_316118916,MCULE-8817596197	301.39	UYMZLRPYQHPTPL-CABCVRRESA-N	00000010100000000001100010000000000000000000000000000000	25-01-060886
CN(C)[C@@H]1CN(Cc2cnn3c2CCC3)C[C@@H]1n1ccnn1	EMOLS-id_316095466,MCULE-1781181646,ZINC22_862498238	301.39	ANCLDQONPIVCFY-CABCVRRESA-N	00000010100000000001100010000000000000000000000000000000	25-01-060887
CN=C(N(Cc1cccn1C)C)NCc1nnc2n1CCC2	PC-id_109808122	301.39	JIBZXPLYYALXJA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-060888
C[C@H](CC(F)F)N(C)C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325790115	301.395	OECPPMCEXSBMTP-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-060889
C[C@@H](CC(F)F)N(C)C(=O)c1cc2c(s1)CC(C)(C)C2	ZINC22_2325790116	301.395	OECPPMCEXSBMTP-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-060890
Fc1ccc(cc1)C(C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318387968,MCULE-6630506960	301.402	JKJBJQFPTNQCCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060891
CCN(C(=O)c1sc2c(c1)CCC2)Cc1ccc(cc1)O	EMOLS-id_318647374	301.403	SLTPBCJIJLPLCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060892
CCOc1cc(C)ccc1NC(=O)c1sc2c(c1)CCC2	PC-id_87027047	301.403	NODAXZBCRJANBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060893
CCOCc1ccccc1NC(=O)c1sc2c(c1)CCC2	PC-id_86821707	301.403	NFDXBWRITGHWNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060894
CCOC(=O)C1CCc2c1nc(s2)Cc1cccc(c1)C	PC-id_104287121	301.403	JQTIJYSMQYKVOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060895
CCOC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1)C	PC-id_104287175	301.403	NESXTQZUQKIJSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060896
CCOC(=O)C1CCc2c1nc(s2)Cc1ccccc1C	PC-id_104287201	301.403	KMPZNLWKBBAMIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060897
CCOC(=O)C1CCc2c1nc(s2)CCc1ccccc1	PC-id_104287119	301.403	PIFZDSQUIUBXIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060898
CCOC(=O)c1c(NCc2ccccc2)sc2c1CCC2	PC-id_110826145	301.403	QPBBJIPMYJGCRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060899
COc1ccccc1CCNC(=O)c1cc2c(s1)CCC2	ZINC22_23911336,EMOLS-id_25005297,PC-id_31420204,CoCoCo_3287946,MCULE-9358533544	301.403	YPYIDPQBIQEJFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060900
COc1ccccc1CN(C(=O)c1sc2c(c1)CCC2)C	MCULE-6510049813,CoCoCo_3343742,PC-id_2553180,EMOLS-id_11835282	301.403	TUUVDHQSSOSIJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060901
COc1c(C)cnc(c1C)CC(=O)c1sc2c(c1)CCC2	PC-id_114968304	301.403	LKAWNURNOHEQTF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060902
COCc1cccc(c1)CNC(=O)c1sc2c(c1)CCC2	PC-id_86990943	301.403	PJOOXCCDTBBPCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060903
Oc1cccc(c1)C(N(C(=O)c1sc2c(c1)CCC2)C)C	EMOLS-id_318735689	301.403	HUBFIEPJVHPOFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060904
O=C(c1cc2c(s1)CCC2)N(CCO)Cc1ccccc1	EMOLS-id_48979540,CoCoCo_3767639,ZINC22_3257418,MCULE-3714017669,PC-id_2374087	301.403	MCHOMONLFVFBPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060905
O=C(c1sc2c(c1)CCC2)NCC(c1ccccc1C)O	PC-id_112296920	301.403	QKYFBOHIUPRJON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060906
O=C(c1sc2c(c1)CCC2)NCC(c1ccccc1)(O)C	PC-id_111825052	301.403	AYPOXMHEAAFODA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060907
OC(Cc1ccccc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_112292504	301.403	GECCHJLJWYUXSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060908
OCC(c1ccccc1)(NC(=O)c1sc2c(c1)CCC2)C	PC-id_105059095	301.403	KDKGOPHKOYEHIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060909
OCCCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_104074139	301.403	CDGAMULASLRFND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060910
OCCC(c1ccccc1)NC(=O)c1sc2c(c1)CCC2	PC-id_112337417	301.403	JFQSWNXFWNXZTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060911
OC[C@@H](NC(=O)c1sc2c(c1)CCC2)Cc1ccccc1	PC-id_102673707	301.403	AJVVDAQVUCZDRV-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060912
OC[C@H](NC(=O)c1sc2c(c1)CCC2)Cc1ccccc1	PC-id_107861191	301.403	AJVVDAQVUCZDRV-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060913
OCC(N(C(=O)c1sc2c(c1)CCC2)C)c1ccccc1	EMOLS-id_318502828	301.403	NTTPHIPDGHLPCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060914
OC(=O)Cc1ccc(cc1)CNCc1sc2c(c1)CCC2	PC-id_103242940	301.403	RKDJHVXSRACGOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060915
OC(=O)Cc1ccccc1CNCc1sc2c(c1)CCC2	PC-id_115461718	301.403	IEWUPDRLWCVLHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060916
s1c2CCCc2cc1CNCc1c(cccc1)C(=O)OC	PC-id_61206655	301.403	JUVWYGCOYVGTRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060917
s1c2CCCc2cc1CNCc1ccc(cc1)C(=O)OC	PC-id_61209321	301.403	JIBXBQMQPRSSJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060918
s1c2c(CCC2)cc1CNCC(c1ccccc1)C(=O)O	PC-id_64565254	301.403	AJSFQWFLJAXURB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060919
s1c2CCCc2cc1C(=O)N(c1c(ccc(O)c1)C)CC	PC-id_30050638	301.403	BNTRPPZTJMQARO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060920
s1c2CCCc2cc1C(=O)Nc1c(OCCC)cccc1	PC-id_31825816	301.403	YMPZXTUYUZHSNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060921
s1c2CCCc2cc1C(=O)N(C(c1ccc(O)cc1)C)C	PC-id_61043358	301.403	QLTVOTMLZNRRQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060922
s1c2CCCc2cc1C(=O)N(Cc1ccc(OC)cc1)C	PC-id_29219461	301.403	JPMQIVFBHMOPAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060923
s1c2CCCc2cc1C(=O)N(Cc1cc(OC)ccc1)C	PC-id_29217576	301.403	XDZLCNGBLDDLQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060924
s1c2CCCc2cc1C(=O)N(C(c1c(O)cccc1)C)C	PC-id_61043344	301.403	BFVZVNCOSRGFMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060925
s1c2CCCc2cc1C(=O)NC(c1c(OC)cccc1)C	PC-id_78771515	301.403	UNKMEOCSJIYDRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060926
s1c2CCCc2cc1C(=O)NC(Cc1ccccc1)CO	PC-id_63260486	301.403	AJVVDAQVUCZDRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060927
s1c2CCCc2cc1C(=O)NCCc1ccc(OC)cc1	PC-id_29206367	301.403	VQPAVFOCMMXCOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060928
s1c2CCCc2cc1C(=O)NCCOc1cc(ccc1)C	PC-id_9224149	301.403	XGLVVFUJVFYSEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060929
s1c2CCCc2cc1C(=O)NCCOc1ccc(cc1)C	PC-id_9425186	301.403	AOKSFNMTDPVPAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060930
s1c2c(CCC2)c(c1N)C(=O)c1ccc(OCCC)cc1	PC-id_28337442	301.403	ODZIDBXKPWSQDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060931
s1c2c(CCC2)c(c1N)C(=O)c1ccc(OC(C)C)cc1	PC-id_28337443	301.403	FLRJJZILGYZPDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060932
s1c2[C@H](NC(=O)c3c(C(C)C)cccc3)[C@H](O)Cc2cc1	PC-id_11472138	301.403	CQZLLPLYJXHKCT-HUUCEWRRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060933
s1c2C(NC(=O)c3c(C(C)C)cccc3)C(O)Cc2cc1	PC-id_72974814	301.403	CQZLLPLYJXHKCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060934
s1c2C(OC(c2c(c1N)C(=O)c1ccccc1)(C)C)(C)C	PC-id_79908064	301.403	NAPOYIKHQDCYJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-060935
c1(c2CCCc2n[nH]1)C(=O)N(Cc1ccc(C)s1)C1CC1	PC-id_119069206,EMOLS-id_82728329,ZINC22_426563024,MCULE-6914638936	301.407	NVPLITUNGAQTCW-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-060936
c1(cc2c(CCC2)s1)C(=O)N1CCC(C1)c1[nH]cc(C)n1	BDE-32072045,PC-id_110104768,MCULE-5779820955,EMOLS-id_46588759	301.407	FFQLFERZKAPUHX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060937
c1(cc2c(CCC2)s1)C(=O)N1CCCC1c1[nH]cc(C)n1	PC-id_110104431,EMOLS-id_237857,BDE-32070950,MCULE-7817212926	301.407	SDMOHWOVBKQLSF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060938
c1(cc2c(CCC2)s1)C(=O)N1CCCCC1c1ccn[nH]1	EMOLS-id_243309,BDE-32093101,MCULE-6888673615	301.407	CFGQRBDZCXVNHH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060939
c1ccc(cn1)C1OCCC(C1)Sc1[nH]c2c(n1)CCC2	EMOLS-id_318642448	301.407	BGZFCLJIGVVFPU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-060940
c1ccc(cn1)[C@@H]1OCC[C@H]1NCc1sc2c(n1)CCC2	MCULE-6553041732,EMOLS-id_320188884	301.407	HCAJBXCDMISWAP-CJNGLKHVSA-N	00000010100000101001100010000000000000000000000000000000	25-01-060941
c1(C(=O)N(CC=C)Cc2ccc(C)s2)c2CCCc2[nH]n1	EMOLS-id_316249417,MCULE-6617903501,ZINC22_1506416399	301.407	AYPWFCORQKOZCI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-060942
c1(NC(=O)c2ccccc2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426037,MCULE-9894233595,PD110592,CoCoCo_4972557,PC-id_4120343,SCHEMBL4878334,ZINC22_9363780	301.407	XLNLSAACPXBERX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060943
c1(NC(=O)c2ccc(cc2)CCC)n(C)nc2CSCc12	EMOLS-id_316197290,ZINC22_1529106868,MCULE-5835920565,PC-id_134698268	301.407	SOJFDEZWWHPCKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060944
c1(NC(=O)Cc2cc(C)ccc2C)n(C)nc2CSCc12	EMOLS-id_334563251,MCULE-4361924948	301.407	LUZVEVYFYZLHOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060945
c1(NC(=O)Cc2ccc(c(C)c2)C)n(C)nc2CSCc12	MCULE-5535733584,EMOLS-id_334564786	301.407	JZTIKFMWLDSGLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060946
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(C)c1)N(C)C	EMOLS-id_181476895,PC-id_84559491,MCULE-7140435384	301.407	DYMJCXPCWNRLAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060947
c1(sc2c(CNC2)n1)NC(=O)c1ccc(cc1)C(C)(C)C	MCULE-8474287102,PC-id_82194076	301.407	YDMMVQIXZUIKGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060948
Cc1cc(C)c(c(n1)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318545233	301.407	UAUCYRDQLZVINM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060949
Cc1ccc(c(n1)N(C)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318493285	301.407	YCEXTHHICOICHG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060950
Cc1c[nH]c(c1/C(=N/NC(=O)c1cc2c(s1)CCC2)/C)C	PC-id_135710499	301.407	ZDMZVMZDTKLRFV-WOJGMQOQSA-N	00000010110000000000000010000000000000000000000000000000	25-01-060951
Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257302591	301.407	SDMOHWOVBKQLSF-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060952
Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257302592	301.407	SDMOHWOVBKQLSF-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060953
Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257225291	301.407	FFQLFERZKAPUHX-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060954
Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257225292	301.407	FFQLFERZKAPUHX-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060955
Cc1c[nH]c(n1)C1(CCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319804337	301.407	DOCDSYNNKWPKHG-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-060956
Cc1cn[nH]c1C1CCN(C1)C(=O)c1cc2CCCc2s1	MCULE-1332105816,BDE-32092336,EMOLS-id_242831,PC-id_110106074	301.407	IMQUMNQFLPOELC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060957
Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_257244758	301.407	IMQUMNQFLPOELC-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060958
Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_257244759	301.407	IMQUMNQFLPOELC-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060959
CC(C)(C)c1ncc(NC(=O)c2cc3c(s2)CCC3)cn1	EMOLS-id_44551926,MCULE-9960442410,PC-id_48368268,ZINC22_64324646	301.407	XGMVCTGOXBBEAL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-060960
CCNc1ccc(c(c1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_104330430	301.407	LLUAFFRZDBMQMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060961
CCN(C)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_95956025,MCULE-2142166629,EMOLS-id_48223581,PC-id_75417635	301.407	PPLCSHUBHCCYFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060962
Cn1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cn1	PC-id_95569507,ZINC22_71796928	301.407	AHFJJDNAUOROML-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060963
Cn1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cn1	ZINC22_71796927,PC-id_95569506	301.407	AHFJJDNAUOROML-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060964
Cn1ncc(c1)C1CCCN1C(=O)c1sc2c(c1)CCC2	MCULE-8894682722,PC-id_56825046,EMOLS-id_36946789	301.407	AHFJJDNAUOROML-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-060965
CN(C)c1cc(CNC(=O)c2cc3c(s2)CCC3)ccn1	MCULE-9014317732,ZINC22_44915935,PC-id_45815074,EMOLS-id_31912621	301.407	QYNBHQPMJVBRSZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060966
CN(C)c1ncccc1CNC(=O)c1cc2c(s1)CCC2	PC-id_45823921,EMOLS-id_31959451,ZINC22_40534586,MCULE-4831412550,CoCoCo_4903670	301.407	WJVAWFSAMIPYNJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-060967
CNCCc1ccccc1C(=O)Nc1sc2c(n1)CCC2	PC-id_104547758	301.407	ONRMXJJXGVPGES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060968
COc1ccc(cn1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_114937748	301.407	HULJGMTVMMTGOO-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-060969
CSC(c1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318493459	301.407	GGQVNMQJLYDJRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060970
n1c2CCCc2sc1CCNC(=O)CCc1cccnc1	ZINC22_222898248,MCULE-8701597211,PC-id_91787772,EMOLS-id_55682259	301.407	UAJDPZDWVCCGGC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060971
n1ccc(cc1)C1OCCC(C1)Sc1[nH]c2c(n1)CCC2	EMOLS-id_318425331	301.407	VOUSTGURUXIOOQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-060972
n1ccc(cc1)[C@@H]1OCC[C@H]1NCc1sc2c(n1)CCC2	MCULE-2375150442,EMOLS-id_320333963	301.407	PJSSVQVQZVDJMY-CJNGLKHVSA-N	00000010100000101001100010000000000000000000000000000000	25-01-060973
NC(C(=O)Nc1sc2c(n1)CCC2)CCc1ccccc1	PC-id_114927923	301.407	YCADYUHQWQCDQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060974
N[C@H](C(=O)Nc1sc2c(n1)CCC2)CCc1ccccc1	PC-id_104984241	301.407	YCADYUHQWQCDQH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060975
O1CCN(CC1)c1ccc(nc1)NC1CCc2c1scc2	EMOLS-id_318698297	301.407	LPNZNESOHIDLET-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-060976
O=C(C1CC1c1sccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_318645608	301.407	PTZALPXUZPZACM-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-060977
O=C(C1CC1c1sccc1C)Nc1n(C)nc2c1CCC2	EMOLS-id_318698317	301.407	YOHJGVVZKMJVCH-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-060978
O=C(C1CC1c1sccc1C)NCc1cnc2n1CCC2	EMOLS-id_318807849	301.407	OPHFNNDDRPNGDU-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-060979
O=C(C1CC1c1sccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_320280621,MCULE-5705024383	301.407	QHVCNGXHKKGSEM-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-060980
O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1c1ccn[nH]1	ZINC22_257212868	301.407	CFGQRBDZCXVNHH-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060981
O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1c1ccn[nH]1	ZINC22_257212869	301.407	CFGQRBDZCXVNHH-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060982
O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1Cn1cccn1	PC-id_95603559,ZINC22_71866264	301.407	JEBZJXKPUNXVCL-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060983
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1Cn1cccn1	PC-id_95603560,ZINC22_71866265	301.407	JEBZJXKPUNXVCL-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-060984
O=C(c1cc2c(s1)CCC2)N1CCC[C@H](n2cccn2)C1	PC-id_95158583,ZINC22_65609543	301.407	TXHZIGNCCMZSCI-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060985
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](n2cccn2)C1	ZINC22_65609541,PC-id_95158582	301.407	TXHZIGNCCMZSCI-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060986
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](n2ccnc2)C1	ZINC22_69661556,PC-id_95314050	301.407	XZLUXCFVBURIBG-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060987
O=C(c1cc2c(s1)CCC2)N1CCC[C@H](n2ccnc2)C1	ZINC22_69661562,PC-id_95314051	301.407	XZLUXCFVBURIBG-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-060988
O=C(c1cccc(c1)CNc1sc2c(n1)CCC2)N(C)C	EMOLS-id_318478527,MCULE-8480989115	301.407	XFQPLIWMVYKPRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060989
O=C(c1ccc(cc1)CNc1sc2c(n1)CCC2)N(C)C	MCULE-2975952716,EMOLS-id_318555976	301.407	ARYSSNKAELUPJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060990
O=C(c1ccc(cc1)NCc1sc2c(n1)CCC2)N(C)C	MCULE-5297653278,EMOLS-id_318257830	301.407	QTZZJTRFLDSHAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-060991
O=C(c1ccc(s1)CC1CC1)NCc1cnc2n1CCC2	EMOLS-id_319842345	301.407	WFFHPIQEOBJXBU-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-060992
O=C(c1ccc(s1)CC1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319622698	301.407	MMBFNUCPPCHSIW-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-060993
O=C(c1sc2c(c1)CCC2)NC1CC(C1)Cn1cccn1	MCULE-2026930744,EMOLS-id_320130736	301.407	BLHOEKBGZLCZGY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-060994
O=C(c1sc2c(c1)CCC2)NC1CC(C1)Cn1ccnc1	MCULE-7368049075,EMOLS-id_319520969	301.407	SWORRNHDLLJCEY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-060995
O=C(c1sc2c(c1)CCC2)N[C@@H]1C[C@H](C1)Cn1ccnc1	EMOLS-id_319524808	301.407	SWORRNHDLLJCEY-AULYBMBSSA-N	00001010100000000001000010000000000000000000000000000000	25-01-060996
O=C(Cc1cccnc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318624309	301.407	AVLHPSMJVMTXBN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060997
O=C(Cc1ccncc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318503828	301.407	KYBRZDGFKVNWPF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060998
O=C(Cc1cnccc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318723514	301.407	FUQHBVVQXINSMD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-060999
O=C(CC(c1ccc(cc1)N)C)Nc1sc2c(n1)CCC2	PC-id_104502478	301.407	ISZYZWCERIAFLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061000
O=C(N1CCCC1Cn1cccn1)c1sc2c(c1)CCC2	EMOLS-id_36954537,PC-id_56779182,MCULE-1385363604	301.407	JEBZJXKPUNXVCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061001
O=C(N1CCCC(C1)n1cccn1)c1sc2c(c1)CCC2	EMOLS-id_35762013,PC-id_53551191,MCULE-8072712081	301.407	TXHZIGNCCMZSCI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061002
O=C(N1CCCC(C1)n1ccnc1)c1sc2c(c1)CCC2	EMOLS-id_36669219,MCULE-4870587160,PC-id_53593220	301.407	XZLUXCFVBURIBG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061003
O=C(Nc1n(C)nc2c1CCC2)CSc1ccc(cc1)C	EMOLS-id_318438931,PC-id_45536328	301.407	FBOUPNOTMVGKCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061004
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cc1ccc(nc1)C	EMOLS-id_318482289	301.407	RCFORNURYWDYHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061005
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cc1cncc(c1)C	EMOLS-id_318595845	301.407	JAGFGQZPILAMEW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061006
s1c2CCCc2cc1CNc1cc(ncc1)C(=O)N(C)C	PC-id_61208196	301.407	OHICUOKGIVIBDM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061007
s1c2CCCc2cc1CNc1cc(ncc1)C(=O)NCC	PC-id_61208374	301.407	CDJYKNWCPNFOTL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061008
s1c2CCCc2cc1CNc1ncc(cc1)C(=O)N(C)C	PC-id_78956248	301.407	DBGYOAISPNMVJO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061009
s1c2CCCc2cc1CNCc1cc(ccc1)C(=NO)N	PC-id_64335950	301.407	XFCUBPIDQJISAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061010
s1c2c(CCC2)cc1CNCc1c(cccc1)C(=NO)N	PC-id_64336152	301.407	NXKOFRKCFVPROS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061011
s1c2CCCc2cc1CNCc1ccc(cc1)C(=NO)N	PC-id_64336358	301.407	ZYRRHCVCSZEVOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061012
s1c2CCCc2cc1CNC(=C1C(=NC(=NC1=O)C)C)C	PC-id_76895632	301.407	VMXBTSHVAXNJSF-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-061013
s1c2c(CCC2)cc1CNC(=O)c1n(C2CC2)cc(N)c1	PC-id_61209309	301.407	NLWQCDPRYAVPNO-UHFFFAOYSA-N	00100010110000000000100010000000000000000000000000000000	25-01-061014
s1c2CCCc2cc1C(=O)NNC(=C1C(=CN=C1C)C)C	PC-id_9231757	301.407	SYXPNOYTMCRVJY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-061015
s1c2CCCc2nc1NC(=O)c1cc(c(NCC)cc1)C	PC-id_63213903	301.407	MZNANZXDMISWQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061016
s1c2CCCc2nc1NC(=O)c1ccc(NCCC)cc1	PC-id_62176857	301.407	CYNGJDRZGSCIHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061017
s1c2CCCc2nc1NC(=O)c1c(NCC)ccc(c1)C	PC-id_62508729	301.407	DIBWRUPUXOTEQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061018
s1c2CCCc2nc1NC(=O)c1c(NCC)cc(cc1)C	PC-id_80268661	301.407	NSLLYEKKCOGDJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061019
s1c2CCCc2nc1NC(=O)c1c(NCCC)cccc1	PC-id_62178097	301.407	XTTNRJJDSODVTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061020
s1c2CCCc2nc1NC(=O)c1c(NC(C)C)cccc1	PC-id_63108455	301.407	WGUTVUSORNIULZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061021
s1c2CCCc2nc1NC(=O)C(c1ccc(N)cc1)(C)C	PC-id_80555214	301.407	CCUNJDIRFPYPEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061022
s1c2CCCc2nc1NC(=O)CCC(N)c1ccccc1	PC-id_63323736	301.407	SCWDFMSVHQADSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061023
s1c2CCCc2nc1NC(=O)C(C(N)c1ccccc1)C	PC-id_80551085	301.407	FWBHBFRUXGAQOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061024
s1c2CN(Cc2nc1N)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_82194187	301.407	GYBLJPTYCQSNKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061025
S(c1ccc(CC(=O)Nc2n(nc3c2CCC3)C)cc1)C	PC-id_45536354	301.407	LADXNORLTFWBJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061026
S(c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1)CC	PC-id_45536340	301.407	NHUVTOUXYSUWSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061027
S(c1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1)CC	PC-id_45536336	301.407	RKWYRXCGQQBIPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061028
S(c1c(C(=O)Nc2n(nc3c2CCC3)C)cccc1)CC	PC-id_45536335	301.407	XMPCCWKDKWXESS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061029
S(CCC(=O)Nc1n(nc2c1CCC2)C)c1ccccc1	PC-id_45536323	301.407	SNTXSSYXKOIWNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061030
CC(CN(S(=O)(=O)NC(c1nnc2n1CCC2)C)C)C	EMOLS-id_110882778	301.408	IDZINPPFQOQQEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061031
CCS(=O)(=O)N(CCCNC1CC(n2c1ncn2)C)C	EMOLS-id_279081851	301.408	LOXZKCXHOAKDIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061032
Nc1csc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_54962434,EMOLS-id_315221944	301.408	BWQWOYTZZMSWJD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061033
c1nc(NCc2sc3c(n2)CCC3)cc(n1)N1CCCC1	EMOLS-id_318610414,MCULE-4634383678	301.41	NOZQGXGBMQQAHE-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-061034
c1nc(NCc2sc3c(n2)CCC3)nc(c1)N1CCCC1	EMOLS-id_318445101,MCULE-7480557755	301.41	HONTVMUBSCTTSO-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-061035
S1c2n(CC1)cc(n2)CNc1nc(C2CCCC2)ccn1	PC-id_56861640	301.41	HDCZCFAOLZRGHC-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-061036
O=C1OCc2c1c(oc2[Si](C)(C)C)N(c1ccccc1)C	PC-id_101225345	301.412	TYFDMIQTRVODDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061037
s1c(CNC2CC(C2)c2ccc(F)cc2)cc2c1CCC2	PC-id_61208357	301.422	WTZRYUQMROUOKG-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-061038
s1c(CNC2CC(C2)c2cc(F)ccc2)cc2c1CCC2	PC-id_61208555	301.422	VMSOQBWQXQARPO-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-061039
s1c(CNC2CC(C2)c2c(F)cccc2)cc2c1CCC2	PC-id_61208751	301.422	DNISANQOUMVPJM-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-061040
s1c(CNC(C2CC2)c2ccc(F)cc2)cc2c1CCC2	PC-id_61207042	301.422	UDVFJSWZUIKHFA-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-061041
CCCCCCCCN1C(=O)c2c(S1(=O)=O)csc2	SCHEMBL17910761,PC-id_121471414	301.425	BUKDBMOZJQZIOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061042
CCOC(CNC(=O)c1sc2c(c1)CSC2)OCC	ChEMBL-DNDi_CHEMBLC574-0007,CoCoCo_2133834,PC-id_49878453	301.425	RTFONTGZOJFUGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061043
n12CC(C(c1ccc2)(C)C)C(c1ccccc1)c1ccccc1	PC-id_11808798	301.425	BGRKYAJKDWUDHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061044
CC(=CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109892	301.426	QVVWNTVOIKPZRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061045
C=CC(=O)N(Cc1cnc2n1CCC2)CCC1CCCCC1	MCULE-9365772850	301.426	PYJUAYQFEBMLEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061046
O=C(c1nn2c(c1)CCC2)NC(C1CCC1)C1CCCCC1	EMOLS-id_318321633	301.426	VXEFALOMKPCVNY-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-061047
O=C([C@@H]1CC[C@H](CC1)C1CCC1)NCc1cnc2n1CCC2	EMOLS-id_319314647	301.426	JSMUANRZJLLLPE-SHTZXODSSA-N	00001010100010000001100010000000000000000000000000000000	25-01-061048
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1CCC1	PC-id_92109856	301.426	PTPXSYCGSYFHJG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-061049
CC1(CCCS1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238425	301.428	IVNBKJLWFLWTDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061050
CC1CCSCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100358268	301.428	ATRBWPSXPDTRGN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-061051
CC1(C)SCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223335	301.428	OUHFULGVPJTISW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061052
CC1CSCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100527204	301.428	YRLYSFFSWDREMJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-061053
CC1SCCN(C1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100205269	301.428	BJVSXHKAUMNJBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061054
CC1SCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100631306	301.428	KLCCPTHXNMUWOD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-061055
CCC1SCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242769	301.428	MICWIIJFXKRRJO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061056
CC(S(=O)(=O)Nc1sc2c(n1)CCC2)CNC1CC1	PC-id_106053327	301.428	IDXZGCHKIPYADC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061057
CSC1(CCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100879173	301.428	APIGEOONHDQCGK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-061058
CSCC1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100233787	301.428	VFEZGXNZHUJLHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061059
O=S1(=O)CCCC(C1)NCCc1cn2c(n1)SCC2	EMOLS-id_99854024	301.428	KIBHULQAKHCRBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061060
O=S(=O)(c1cnc2n1CCC2)NCC1CCCCS1	EMOLS-id_100233112	301.428	XOOQRWHGKKKACH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061061
O=S(=O)(c1cnc2n1CCC2)NCC1CCCSC1	EMOLS-id_98840835	301.428	CAOPHQVTXZSYRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061062
O=S(=O)(c1cnc2n1CCC2)NCC1CCSCC1	EMOLS-id_100184844	301.428	JAYYRKARECSRPX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061063
O=S(=O)(Nc1sc2c(n1)CCC2)CCCNC1CC1	PC-id_106053371	301.428	UGZIQUIOMIPRNU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061064
S(=O)(=O)(N1CCNCC1)NCc1sc2c(CCC2)c1	PC-id_61252574	301.428	MZGCIXILGPWURT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061065
S(=O)(=O)(Nc1sc2CCCc2n1)CC1CCCNC1	PC-id_61548776	301.428	PUVJWMVSAQYKBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061066
S(=O)(=O)(Nc1sc2CCCc2n1)CC1CCNCC1	PC-id_61548777	301.428	IFWOIVRZVGZNPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061067
S(=O)(=O)(Nc1sc2CCCc2n1)CC1NCCCC1	PC-id_61545181	301.428	ALRIIBKZHKLDKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061068
Cc1nn(c(c1CNC1CC(n2c1ncc2)C)C)C(C)(C)C	EMOLS-id_318188596	301.43	NFDFTLGVLJDBJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061069
CC(c1cc2n(n1)CCC2)Nc1c(C)nn(c1C)C(C)(C)C	EMOLS-id_318663103,MCULE-2631091935	301.43	DCNSIGUQPWGQLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061070
CC(c1cnn(c1C)C(C)(C)C)NC1CC(n2c1ncc2)C	MCULE-7046363054,EMOLS-id_318367293	301.43	AAWLFOKJRBEEHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061071
CCSc1cccc(c1C#N)Nc1sc2c(n1)CCC2	PC-id_104194934	301.43	XPGCDDKQSQTXMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061072
CC(c1cc2c(s1)CCC2)N[C@@H](Cc1ccccc1)CO	MCULE-4078383683,EMOLS-id_316892232,PC-id_136581089	301.446	RPMPCPVTBDROGD-VYIIXAMBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061073
CCCNC(c1ccccc1OC)c1sc2c(c1)CCC2	PC-id_115792716	301.446	SQYDWLLIGDHRCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061074
CCCNC(c1sc2c(c1)CCC2)c1cccc(c1)OC	PC-id_115785463	301.446	RPEWGJBNQDPOIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061075
CCCOc1ccccc1C(c1sc2c(c1)CCC2)NC	PC-id_105035725	301.446	UTSFQVYZNTYYJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061076
CCCOc1ccc(cc1)C(c1sc2c(c1)CCC2)NC	PC-id_115853248	301.446	QGTLCXHOTDXTME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061077
CCNC(c1ccccc1OCC)c1sc2c(c1)CCC2	PC-id_115853754	301.446	RQLNDJCGXKCGBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061078
CCNC(c1sc2c(c1)CCC2)c1cccc(c1)OCC	PC-id_105022398	301.446	JKVQZEDEOWLEHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061079
CNC(c1ccc(c(c1OC)C)C)c1sc2c(c1)CCC2	PC-id_103435270	301.446	UYTWDPGYNUELSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061080
CNC(c1ccccc1OC(C)C)c1sc2c(c1)CCC2	PC-id_105018134	301.446	QCFFARKJPOSASC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061081
CNC(c1cc(C)c(cc1C)OC)c1sc2c(c1)CCC2	PC-id_105032710	301.446	DAZCKSYEULYKNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061082
CNC(c1sc2c(c1)CCC2)c1cccc(c1)OC(C)C	PC-id_105018936	301.446	RUVKTJVOHVTNNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061083
CNC(c1sc2c(c1)CCC2)Cc1cc(C)ccc1OC	PC-id_115826204	301.446	XPPBKWBTYAHNDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061084
COc1ccc(cc1)CCC(c1sc2c(c1)CCC2)NC	PC-id_115864628	301.446	NBWKJNBWHFQNBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061085
COc1cc(C)cc(c1C(c1sc2c(c1)CCC2)NC)C	PC-id_106682166	301.446	GFOUVJREGAOBDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061086
s1c2c(CCC2)cc1C(NC)c1ccc(cc1)CCOC	PC-id_43482329	301.446	WQWMJJYYCKCUIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061087
s1c2c(CCC2)cc1C(NC)c1cc(c(OC)c(c1)C)C	PC-id_83043874	301.446	CKGMHBNGXHOFTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061088
s1c2c(CCC2)cc1CNC(c1ccc(OCC)cc1)C	PC-id_61209506	301.446	BRQWMBWYZCJADN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061089
s1c2c(CCC2)cc1C(NC)c1ccc(OC(C)C)cc1	PC-id_43485512	301.446	BBDYSSGLYACZJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061090
s1c2CCCc2cc1CNCc1ccc(OC(C)C)cc1	PC-id_61206653	301.446	STVDYWGNPIROCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061091
s1c2CCCc2cc1CNCc1ccc(OCCC)cc1	PC-id_61207585	301.446	IMTPJOJBHUVLED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061092
s1c2CCCc2cc1CNCc1cc(OCCC)ccc1	PC-id_61207043	301.446	YDGLHSBYPNXRSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061093
s1c2CCCc2cc1CNCc1cc(OC(C)C)ccc1	PC-id_61213003	301.446	TVMFYTBPNHKIRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061094
s1c2c(CCC2)cc1CNC(c1c(OC)cc(cc1)C)C	PC-id_61206852	301.446	VEPVKIMYNGCYMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061095
s1c2c(CCC2)cc1CNC(c1c(OC)ccc(c1)C)C	PC-id_61207766	301.446	GFPKJZCGAXRDFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061096
s1c2c(CCC2)cc1CNC(c1c(OCC)cccc1)C	PC-id_61207581	301.446	INNABJJIABBERV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061097
s1c2c(CCC2)cc1C(NC)c1c(OCC)ccc(c1)C	PC-id_62301473	301.446	YJDVLCNUDVHNOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061098
s1c2CCCc2cc1CNCc1c(OC(C)C)cccc1	PC-id_61206654	301.446	OJDYPWMWHCLNRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061099
s1c2c(CCC2)cc1C(NCC)c1c(cc(OC)cc1)C	PC-id_43490036	301.446	YYEFRSPQOZXWPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061100
s1c2c(CCC2)cc1C(NCC)c1cc(c(OC)cc1)C	PC-id_43493574	301.446	PWBGFNMTYGYJMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061101
s1c2c(CCC2)cc1CNC(Cc1ccc(OC)cc1)C	PC-id_61207589	301.446	JSWKMAUHCXOIQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061102
s1c2c(CCC2)cc1C(NCC)c1ccc(OCC)cc1	PC-id_43489391	301.446	XKHFTFGONXJIFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061103
s1c2c(CCC2)cc1C(NCC)c1c(OC)ccc(c1)C	PC-id_43626345	301.446	DWLODRBLGAQLMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061104
s1c2c(CCC2)cc1CNC(Cc1c(OC)cccc1)C	PC-id_61206665	301.446	DIYAGBZDUVDNEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061105
s1c2c(CCC2)cc1CNC(CCc1ccc(O)cc1)C	PC-id_61206644	301.446	OJEFSCHISYRHQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061106
s1c2c(CCC2)cc1C(NCCC)c1ccc(OC)cc1	PC-id_43494954	301.446	JUOCAGDLLRMPEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061107
s1c2c(CCC2)cc1C(NCC)Cc1ccc(OC)cc1	PC-id_61064117	301.446	KRGKUMJPIQYXHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061108
s1c2c(CCC2)cc1CNC(CC)c1ccc(OC)cc1	PC-id_61207397	301.446	JPGHXUGYYPKGQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061109
s1c2c(CCC2)cc1C(NCC)Cc1cc(OC)ccc1	PC-id_61065213	301.446	GWZKRAYFHJAJTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061110
s1c2c(CCC2)cc1C(NCC)Cc1c(OC)cccc1	PC-id_61065223	301.446	UYWZQFGHZJPLGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061111
s1c2c(CCC2)cc1CNC(CC)c1c(OC)cccc1	PC-id_61206657	301.446	XTWLZVHPWVLPGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061112
s1c2c(CCC2)cc1C(O)C(c1cc(c(cc1)C)C)CN	PC-id_65189774	301.446	NIGJIOKITFBQJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061113
C1CCC(CC1)(CNC1CCn2c1ncc2)c1cccs1	EMOLS-id_318222880,MCULE-3540287453	301.45	WHBQWIQXYCWQHY-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-061114
CC(c1ccncc1CNCc1sc2c(n1)CCC2)(C)C	MCULE-9263823394,EMOLS-id_318175839	301.45	LJPYYFJIUFAGIU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061115
CCCCc1c(CCC)cc2n1C(=N)C(=C2SCC)C#N	PC-id_102182280	301.45	PBWRHJJKQYPYLN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-061116
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CN	MCULE-1167872389,EMOLS-id_331001008	301.45	HLVQZJDLDMAKIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061117
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1CN	MCULE-9361846376,EMOLS-id_330998707	301.45	BGCQBRGYQUFXMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061118
NC(c1sc2c(c1)CCC2)Cc1ccn(n1)C1CCCC1	PC-id_104993884	301.45	XAZWZFFYRWUXGN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061119
s1c2c(CCC2)cc1CNCc1nn(C2CCCC2)cc1	PC-id_64800283	301.45	XWQWPGTVXYNEDP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061120
s1c2CCCc2nc1C(NCC)c1ccc(N(C)C)cc1	PC-id_61332198	301.45	GUSDBSKCLIBJRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061121
CCCNC(c1sc2c(c1)CCC2)CCS(=O)(=O)C	PC-id_115848261	301.468	UALSBPAANQDODS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061122
CCNC(c1sc2c(c1)CCC2)CCCS(=O)(=O)C	PC-id_115821011	301.468	UTVAQKYMXGDUOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061123
CC(S(=O)(=O)CCNCc1sc2c(c1)CCC2)(C)C	PC-id_106723369	301.468	NNXBQLKOJRSIDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061124
CNC(c1sc2c(c1)CCC2)CCCS(=O)(=O)CC	PC-id_115865139	301.468	UCFOEKMFQDXXPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061125
CCN(CCn1c(C)c2c(c1C)C(CC2(C)C)(C)C#N)CC	SCHEMBL11623876,PC-id_12894297	301.47	BUAQCQOISLHEHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061126
ClC1=C(C(c2n1nc(NC=O)c2C#N)C#N)C(F)(F)F	PC-id_59931639	301.612	MJDXNGBNMSMNRR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-061127
Clc1ccc(cc1)Cn1nc(c2c1OS(=O)(=O)O2)N	PC-id_141401237	301.706	NQAPBNFOAHSZLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061128
C1Cn2c(nn(c2=O)S(=O)(=O)c2c(ccnc2)Cl)N1	PC-id_135873200	301.71	XAEOCXDLYQXEMX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061129
C1Cn2c(nn(c2=O)S(=O)(=O)c2cc(cnc2)Cl)N1	PC-id_136750344	301.71	GWHWSJDJCBQPIO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061130
CC1Cn2c(O1)ns/c/2=N/c1cc(O)c(cc1F)Cl	SCHEMBL10547301	301.724	DMYGJVVFGDARKQ-SDNWHVSQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061131
CC1Cn2c(O1)nsc2=Nc1cc(O)c(cc1F)Cl	SCHEMBL10547303	301.724	DMYGJVVFGDARKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061132
Clc1c(c2n(CCC2C(=O)c2ccccc2)c1C=O)C=O	PC-id_56934373	301.724	AFSZBIGSLRJXPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061133
Clc1c(O)cc(/N=c/2snc3OC(Cn23)C)c(F)c1	PC-id_14406605	301.724	DMYGJVVFGDARKQ-KAMYIIQDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061134
N#Cc1cnc(c(c1)Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318768354	301.731	UCXPWAHFQHFTEU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061135
CC(=O)CC1CCn2c1ccc2C(=O)c1ccc(cc1)Cl	PC-id_70474226,SCHEMBL10924420	301.767	FHLGBUNEAGCWME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061136
CCOC(=O)c1cc2c([nH]1)CCC2=Cc1ccc(cc1)Cl	PC-id_67269789,SCHEMBL2076880	301.767	IURMJMCFYICPKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061137
CCOC(=O)c1cc2c([nH]1)CC/C/2=C/c1ccc(cc1)Cl	SCHEMBL3822925,PC-id_68802844	301.767	IURMJMCFYICPKH-XFXZXTDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061138
CC(C)(C)C(CCNC(=O)c1nn2CCOc2c1Cl)O	PC-id_91960011	301.769	XSSBALDXLLBYQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061139
c1(NC(=O)C=Cc2ccccc2Cl)n(C)nc2CCCc12	PC-id_71961361,MCULE-9801213811	301.771	BHIJBWLEEZRSSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061140
Clc1ccc(cc1)C1(CC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318496248	301.771	SURCMSNKQJAQKQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061141
Clc1cccc(c1)C1(CC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318657842	301.771	CESRFURQELRELD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061142
Clc1cccc(c1)C1(CC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318426039	301.771	SNGXZGGHXHKASI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061143
Clc1ccc(cc1)C1(CC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318460272	301.771	UEAHIPTVOMBBER-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061144
Clc1ccc(cc1)C1(CC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318715671	301.771	MZWJBTVISBNKOJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061145
Clc1cccc(c1)C1(CC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318725805	301.771	XUVHVCPKYRMDJZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061146
Clc1cccc(c1)C1(CCC1)C(=O)N1CCn2c1ccn2	EMOLS-id_318027716	301.771	JUWOPGWCXCPXLZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061147
Clc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCC2	EMOLS-id_318590354	301.771	UCEFLPCULMYAOF-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061148
Clc1cccc(c1)[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCC2	EMOLS-id_318734024	301.771	ZSVTUJYLWZWNDF-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061149
Clc1cccc(c1)[C@@H]1C[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_318411742	301.771	UXJCOJKDSQSTLF-GXTWGEPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061150
Clc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_318676278	301.771	HLKYZZYUQZVJBQ-GXTWGEPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061151
Clc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318418820	301.771	FNNYGYIBEFJPOC-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061152
Clc1cccc(c1)[C@@H]1C[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318583059	301.771	RSVJKDJCVITRGV-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061153
Cn1nc2c(c1NC(=O)/C=C/c1ccccc1Cl)CCC2	CoCoCo_5273008,ZINC22_23135663,EMOLS-id_45809229,PC-id_30859104	301.771	BHIJBWLEEZRSSR-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061154
COc1ccc(Cn2nc3CCC(C)c3c2C#N)cc1Cl	MCULE-1009139935,EMOLS-id_330999487	301.771	PUITUWKWVSKWCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061155
COc1ccc(Cn2nc3CCC(C)c3c2C#N)c(Cl)c1	EMOLS-id_330999743,MCULE-5006670891	301.771	XECCOZMBGMFLPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061156
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)cc1Cl	EMOLS-id_331018741,MCULE-6408384640	301.771	XBFJWMFEWOZZNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061157
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)c(Cl)c1	MCULE-5562784073,EMOLS-id_331018997	301.771	FLIHPQCVTJJFDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061158
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1C#N	EMOLS-id_331003059,MCULE-3545657707	301.771	WSPKCCJECRCLEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061159
COc1cc(Cl)ccc1Cn1nc(C#N)c2C(C)CCc12	EMOLS-id_331022328,MCULE-8124704398	301.771	QJSLXPYTPJKSEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061160
COc1cc(Cn2nc3CCC(C)c3c2C#N)ccc1Cl	MCULE-6130794405,EMOLS-id_331002803	301.771	YQFSFYAMCAEDOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061161
COc1cc(Cn2nc(C#N)c3C(C)CCc23)ccc1Cl	EMOLS-id_331022072,MCULE-7030764814	301.771	GYCRDXQCXBUUGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061162
O=C(C1Cc2c1cc(cc2)Cl)NCc1cnc2n1CCC2	EMOLS-id_319305675	301.771	KDOFRAZPTXQCSR-UHFFFAOYSA-N	00001010100000100001001010000000000000000000000000000000	25-01-061163
O=C(c1cnc2n1CCC2)NC1(CC1)c1ccccc1Cl	EMOLS-id_318418374	301.771	NXDATHRNJCAXQI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061164
O=C(c1cnc2n1CCC2)N[C@@H]1C[C@H]1c1ccccc1Cl	EMOLS-id_318668226	301.771	QLWHZBREDIEFRY-WCQYABFASA-N	00100010100000110001100010000000000000000000000000000000	25-01-061165
O=C(c1cnn2c1CCC2)NC1(CC1)c1ccccc1Cl	EMOLS-id_318755083	301.771	SCFZMADSOONAEQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061166
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H]1c1ccccc1Cl	EMOLS-id_318745860	301.771	AADGACKAJLBGLP-SMDDNHRTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061167
O=C(c1nn2c(c1)CCC2)NC1(CC1)c1ccccc1Cl	EMOLS-id_318663658	301.771	FYVXBCHCAJNFIR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061168
O=C(c1nn2c(c1)CCC2)N[C@@H]1C[C@H]1c1ccccc1Cl	EMOLS-id_318607144	301.771	IXOZPSSDWJGKJR-GXTWGEPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061169
O=C(Nc1n(C)nc2c1CCC2)/C=Cc1ccccc1Cl	CoCoCo_5273009	301.771	BHIJBWLEEZRSSR-KTKRTIGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061170
FC(SCCNC1CCc2c1cc(s2)Cl)(F)F	PC-id_106427034	301.779	VKOHHMUXZCNEGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061171
c1(c2CCCc2sc1NC(=O)CCl)C(=O)OC(C)C	PC-id_4139348,SPECS-id_AK-968/41926862,MCULE-3945920678,CoCoCo_6927897,EMOLS-id_3789368	301.789	PTUQFOSBGAMXCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061172
c1(NC(=O)CCCCl)sc2c(CCC2)c1C(=O)OC	CoCoCo_203983,STOCK2S-63823,PC-id_2789871,EMOLS-id_1341704,BAS-01540744,MCULE-9675341509	301.789	LEZKEYMYVDGAAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061173
c1(NC(=O)CCCl)sc2c(CCC2)c1C(=O)OCC	PC-id_4991574,EMOLS-id_33373810,MCULE-2140662096	301.789	LKOKCIQIXZDJGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061174
ClCC(C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_55110518	301.789	OLKGWMRSZKJLSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061175
ClC(C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_43244614	301.789	RRIBADPCHFZNMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061176
Clc1ccc(C(C(=O)c2sc3CCCc3c2)C#N)cc1	PC-id_43334167	301.791	UFLCUSUQUSHJKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061177
Clc1cc(C(C(=O)c2sc3CCCc3c2)C#N)ccc1	PC-id_43156786	301.791	VCQOYFRPXUWQSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061178
Clc1c(C(C(=O)c2sc3CCCc3c2)C#N)cccc1	PC-id_61784750	301.791	COFUOTQZZODNPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061179
Clc1ccc(N/C=N/c2sc3CCCc3c2C#N)cc1	PC-id_10685728	301.794	FVQPFLYTFRBKEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061180
CC1CC1C(c1ccc(cc1)Cl)NC1CCn2c1ncc2	MCULE-9717213945,EMOLS-id_318085884	301.814	INDVMVWCXFLHOU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-061181
Clc1cccc(c1)C1(CC1)NC(c1nn2c(c1)CCC2)C	MCULE-7273065625,EMOLS-id_318027924	301.814	GQWHBGRHHZUDEM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061182
Clc1ccc(cc1)C1(CC1)NC(c1nn2c(c1)CCC2)C	MCULE-7695048470,EMOLS-id_318366282	301.814	GQPIOEQNHUMTGJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061183
Clc1ccc(cc1)C1(CCC1)CNC1CCn2c1ncc2	MCULE-8429369929,EMOLS-id_318364727	301.814	OGDMDZVYYPVUQX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061184
Clc1cccc(c1)C1CC(C1)NCc1cnc2n1CCC2	EMOLS-id_318030240,MCULE-8983075517	301.814	DQCAXQAIAOYOHG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061185
Clc1ccc(cc1)C1(CCC1)NCc1cnc2n1CCC2	MCULE-7641703965,EMOLS-id_318237081	301.814	SSIOXGQLAONAHK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061186
Clc1cccc(c1)C1CCC(C1)NC1CCn2c1ncc2	MCULE-1185777161,EMOLS-id_318368307	301.814	HQBDOGSQFCXJFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-061187
Clc1ccc(cc1)C1(CNC2CC(n3c2ncc3)C)CC1	MCULE-6563962771,EMOLS-id_318288390	301.814	NVCNPSOLBNUNLP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061188
Clc1cccc(c1)C1(CNC2CC(n3c2ncc3)C)CC1	MCULE-8110332292,EMOLS-id_318018331	301.814	GOEWTCLKABOFIZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061189
Clc1ccccc1C1(CNC2CC(n3c2ncc3)C)CC1	MCULE-8529102956,EMOLS-id_318359351	301.814	WYZUKJYBQZKZIM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061190
Clc1cccc(c1)C1(CNCc2cnc3n2CCC3)CC1	EMOLS-id_318391044	301.814	BZNDRZFNDLDGEP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061191
Clc1cccc(c1)CC1(CC1)NC1CC(n2c1ncc2)C	MCULE-8903652649,EMOLS-id_318188612	301.814	YSHYWIRNPYBBKO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-061192
Clc1ccc(cc1)CC1(CCC1)NC1CCn2c1ncc2	EMOLS-id_318371380,MCULE-7556101481	301.814	VLQIOHIXCVSKEJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-061193
Clc1ccc(cc1)[C@@H]1C[C@H](C1)NCc1cnc2n1CCC2	MCULE-2026240667,EMOLS-id_318829855	301.814	XLIIWFRVJVIKHF-CTYIDZIISA-N	00001010100000110001100010000000000000000000000000000000	25-01-061194
Clc1ccccc1[C@@H]1C[C@H](C1)NCc1cnc2n1CCC2	MCULE-3020185582,EMOLS-id_320117062	301.814	XWHNKXHCZMILPZ-JOCQHMNTSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061195
Clc1sc2c(C(NC(CC(C)C)C(=O)OC)CC2)c1	PC-id_81251508	301.832	XMRXQVUXQHFEBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061196
Clc1sc2c(C(NC(C(CC)C)C(=O)OC)CC2)c1	PC-id_81252791	301.832	XUYMSRZCOXUYKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061197
ClCCCC(=O)Nc1n(nc2c1CSC2)C(C)(C)C	PC-id_5019344	301.835	QJTYNKBYJXRIRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061198
CCSC1CCC(C1)NC1CCc2c1cc(s2)Cl	PC-id_103926283	301.898	JBTJURXXTFRMAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061199
CCSC1CCCC1NC1CCc2c1cc(s2)Cl	PC-id_114121393	301.898	OAFSPJDHFZSXPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061200
CSC1(CCCC1)CNC1CCc2c1cc(s2)Cl	PC-id_105814612	301.898	ZBDDMKUGPFEYFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061201
CSC1CCCC(C1)NC1CCc2c1cc(s2)Cl	PC-id_114122239	301.898	CPWQRQMYBBJEHJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-061202
CSC1CCCCC1NC1CCc2c1cc(s2)Cl	PC-id_114122336	301.898	PUQWBBBOWDLJRM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-061203
CSC1CCC(CC1)NC1CCc2c1cc(s2)Cl	PC-id_114122563	301.898	PFHYBVKZWPERCW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-061204
Brc1sc(Br)c2NSNc12	PC-id_72334075	302.01	CBCGWGCEGMCUNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061205
C1C(C(C2=C1SC=C2)NC(=O)[C@H](CC3=CC=CC=C3)N)O	PC-id_163752792	302.109	LRMDPFFRFIJUHY-OPFPJEHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061206
C1[C@H](CC2=C1C=CS2)ON[C@@H](CC3=CC=CC=C3)C(=O)N	PC-id_164083986	302.109	XADMIQXJIQBJGJ-KGLIPLIRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061207
CC1CC(=NNC2=CC(=C(C=C2)C(=O)OC)F)C3=NC=CN13	EMOLS-id_324034852,PC-id_154792699,MCULE-6996951073	302.118	WWFGKDHPOSIHFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061208
CC(=O)N1CC2=C(C1)NN=C2C(C3=CC=CC=C3F)C(=O)N	PC-id_153863680	302.118	SVUHNXZZSNUCAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061209
CC(=O)N1CC2=C(C1)NN=C2C(C3=CC(=CC=C3)F)C(=O)N	PC-id_153863681	302.118	BEJYVQDGXDCCSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061210
CC(=O)N1CC2=C(C1)NN=C2C(C3=CC=C(C=C3)F)C(=O)N	PC-id_153863682	302.118	QHGDFLJMRPKQCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061211
CCOC(=O)C1=NN2CC(OC2=C1)COCC3=CC=CC=C3	PC-id_152057522	302.127	URZTXWMCLTTXAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061212
FC[C@@H]1C[C@H]1NC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_318844984	302.143	CHNCBMVFZDOHCR-NKWVEPMBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061213
CCOC(=O)c1cc2c([nH]1)S(=C=O)C(=C2)Br	PC-id_141198706	302.144	IVACWYQUYCLUAW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-061214
CO[C@@H]1CN(C[C@H]1C2=NNN=C2)C(=O)C3=NNC4=C3CCC4	PC-id_154746626	302.149	ULASVXDPBHHLHU-JOYOIKCWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061215
CC1CCc2c1c(I)nn2CC1CC1	MCULE-5983453148,EMOLS-id_330982387	302.155	CBLYLBWLZFBMNZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061216
CC1CCc2nn(CC3CC3)c(I)c12	MCULE-2732770544,EMOLS-id_330967732	302.155	YUWFJUARPMANEW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061217
c12CN(Cc1nn(C(C)(C)C)c2Br)C(=O)OC	MCULE-3187331482,EMOLS-id_324341356	302.168	YLFCJAXLHMTBQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061218
Cn1nc(Br)c2CN(Cc12)C(=O)OC(C)(C)C	EMOLS-id_317761504,PC-id_72214638	302.168	LMSLWLVRFLZHLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061219
O=C(OC(C(F)(F)F)C(F)(F)F)c1cnn2c1CCC2	EMOLS-id_320390993,MCULE-8403261873,PC-id_145897381,ZINC22_835471618	302.173	XBMYGWWCZWEKRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061220
BrCC(=O)NC1c2c(C(=O)C1)c(sc2C)C	PC-id_11695150	302.187	SKCKHKQYJMQBBY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061221
Clc1cc2c(s1)CCC2Nc1cc(F)cc(c1)Cl	PC-id_107364026	302.195	NLTTUWDPPREWBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061222
Clc1cc2c(s1)CCC2Nc1c(F)cccc1Cl	PC-id_116471293	302.195	OTAUITXJCUZTRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061223
Clc1sc2CCC(Nc3cc(Cl)ccc3F)c2c1	PC-id_81252577	302.195	QKMXDZPUOXSOJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061224
Clc1sc2CCC(Nc3cc(Cl)c(F)cc3)c2c1	PC-id_81252890	302.195	VHRFVHKISCBUBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061225
Clc1sc2CCC(Nc3cc(F)c(Cl)cc3)c2c1	PC-id_81252282	302.195	RLCUHQQMRBAQEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061226
Clc1sc2CCC(Nc3c(Cl)cc(F)cc3)c2c1	PC-id_81252678	302.195	YENDWHPWROJHDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061227
Clc1sc2CCC(Nc3c(F)cc(Cl)cc3)c2c1	PC-id_81251510	302.195	UUYCTGUYPIVJRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061228
Clc1sc2CCC(Nc3c(F)c(Cl)ccc3)c2c1	PC-id_81251595	302.195	XNAXFGCQFNFHHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061229
Fc1ccc(c(c1)NC1CCc2c1cc(s2)Cl)Cl	PC-id_107527255	302.195	QEKAUDUYTBBMLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061230
O=C(CC1(C)CC1(Cl)Cl)NCc1cnc2n1CCC2	EMOLS-id_318951260	302.2	AUILRSVNIROXQB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061231
Brc1sc2c(c1)C(CC2)NCC1CCCO1	MCULE-1113093617,EMOLS-id_317920047	302.231	RMZIOSOTWKJXGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061232
Brc1sc2c(c1)C(CC2)NCC1COCC1	MCULE-9052806469,EMOLS-id_317920303	302.231	VIFGBNXMNSEERB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061233
Brc1sc2c(c1)C(CC2)NC[C@H]1CCCO1	EMOLS-id_318157144	302.231	RMZIOSOTWKJXGA-HNHGDDPOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061234
BrCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_106845853	302.231	RYCUJYWEOHWJGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061235
BrCCC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_315770508,PC-id_83180207	302.231	KVBRFJVGIRRGHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061236
BrCCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_106441075	302.231	PLTRESCNJHVOSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061237
BrCC(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_114313309,EMOLS-id_315654994	302.231	AMMSOYGPHNIBEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061238
BrCC(N(C(=O)c1sc2c(c1)CCC2)C)C	EMOLS-id_314793406,PC-id_104555949	302.231	FJEUCMWCCJGBDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061239
BrCCN(C(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_315541045,PC-id_80659975	302.231	YIDCBRYWOWOJPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061240
BrCC(NC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_114307962,EMOLS-id_315637084	302.231	KQGXRKCWXKITDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061241
BrC(CN(C(=O)c1sc2CCCc2c1)C)C	PC-id_80665616,EMOLS-id_315550005	302.231	FDHSWDCJBBPMRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061242
BrC(C(=O)NCc1sc2c(CCC2)c1)CC	EMOLS-id_39426715,PC-id_62854364	302.231	GJTONVZXKDDHHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061243
CC1(CNC2CCc3c2cc(s3)Br)COC1	EMOLS-id_317920815,MCULE-5142024618	302.231	GFPJONLWGJUNTG-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-061244
CC(CCNC(=O)c1sc2c(c1)CCC2)Br	EMOLS-id_315650392,PC-id_114312464	302.231	USGHKKUKRJDGOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061245
CCC(CNC(=O)c1sc2c(c1)CCC2)Br	PC-id_116245069	302.231	RXCWWUFUPYZFAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061246
CCC(NC(=O)c1sc2c(c1)CCC2)CBr	PC-id_114307612,EMOLS-id_315635542	302.231	GDVVFPKCISXRTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061247
O=C(C(Br)(C)C)NCc1sc2c(c1)CCC2	PC-id_114328382	302.231	WRXUHYPPVVFPGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061248
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(c1)N(=O)=O	PC-id_135653872,STOCK6S-47697,EMOLS-id_17101459,MCULE-2121942908	302.246	NKCGXSAOKNJFIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061249
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)N(=O)=O	STOCK6S-55394,EMOLS-id_17112761,MCULE-4719464579,PC-id_135653974	302.246	NTRGOHCGEGYDKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061250
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1N(=O)=O	STOCK6S-66411,EMOLS-id_24574661,PC-id_135649891,MCULE-1478911342	302.246	TUZZKIFBHBHDSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061251
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccccc1[N+](=O)[O-]	PC-id_135901694,ZINC22_20715756	302.246	TUZZKIFBHBHDSN-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061252
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccccc1[N+](=O)[O-]	ZINC22_20715759,PC-id_135901695	302.246	TUZZKIFBHBHDSN-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-061253
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1cccc([N+](=O)[O-])c1	ZINC22_13691481,PC-id_135925015	302.246	NKCGXSAOKNJFIP-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061254
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1cccc([N+](=O)[O-])c1	ZINC22_13691482,PC-id_135925016	302.246	NKCGXSAOKNJFIP-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-061255
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc([N+](=O)[O-])cc1	PC-id_135904192,ZINC22_13734871	302.246	NTRGOHCGEGYDKY-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061256
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc([N+](=O)[O-])cc1	PC-id_135904193,ZINC22_13734874	302.246	NTRGOHCGEGYDKY-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-061257
O=C1CN(CN1CC(F)(F)F)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100512392	302.252	UMIGZWCUZBIUEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061258
C(F)(F)(F)C(=O)CC(=O)Nc1sc2CCCc2c1C#N	MCULE-8448842340,EMOLS-id_328056848	302.272	GJJRZBTZZKENHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061259
O=C(c1[nH]ncc1C(F)(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_319097789	302.276	OLGAOWVYNJKEDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061260
O=C(N1CCn2c1ccn2)Cc1scc(n1)C(F)(F)F	EMOLS-id_319007177	302.276	QUSKARYQSUEHIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061261
c12CN(Cc1nn(CC(F)F)c2C(=O)NCC)C(=O)OC	MCULE-4795374991,EMOLS-id_324356961	302.277	COJYVGHALLYZCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061262
c12CN(Cc1nn(CC(F)F)c2C(=O)NC)C(=O)OCC	EMOLS-id_324351854,MCULE-2346051588	302.277	YIUMWDWHOIEIHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061263
O=C(N1Cc2c(C1)nc(n2C(F)F)C(=O)N)OC(C)(C)C	SCHEMBL17380777,PC-id_118614502	302.277	ZMRUJXNNQJLAQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061264
N#Cc1cc(F)c(c(c1)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319223304	302.279	HHFDNONHWMTFFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061265
N#Cc1cc(F)c(c(c1)F)C(=O)NCc1n[nH]c2c1CCC2	MCULE-6084328196,EMOLS-id_319960637	302.279	OFVVMHNEWQBFSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061266
N#Cc1c(F)cc(cc1F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319434620	302.279	BDFWLQPKKNTSDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061267
c1(C(=O)Nc2ccc(c(c2)N(=O)=O)OC)c2CCCc2[nH]n1	EMOLS-id_335047814,MCULE-5087199524	302.285	NJPMLBODGXEIDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061268
c1(C(=O)Nc2ccc(cc2N(=O)=O)OC)c2CCCc2[nH]n1	MCULE-2324513941,EMOLS-id_335035777	302.285	GTCCHDKZBYXCFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061269
c1(C(=O)Nc2c(OC)ccc(c2)N(=O)=O)c2CCCc2[nH]n1	EMOLS-id_335060105,MCULE-9641949110	302.285	DPRDKQFPBKCCKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061270
O=C(Nc1n[nH]c2c1CN(C2)C(=O)O)OCc1ccccc1	SCHEMBL3621028,PC-id_68717074	302.285	DUJHXWNCVUKQBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061271
O=C(O)c1coc2c1CN(C(=O)c1cn(C3CCC3)nn1)C2	ZINC22_2325821559	302.285	YLOONMPZXNRQPT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061272
O=C(NCc1nnc2n1CCC2)Nc1ccccc1[N+](=O)[O-]	ZINC22_24239767,CoCoCo_4565845,EMOLS-id_25001625,MCULE-8553013800,PC-id_31685865	302.289	JPCHIIDFWRUDCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061273
O=C(NCc1nnc2n1CCC2)Nc1cccc([N+](=O)[O-])c1	CoCoCo_4490691,ZINC22_10464431,PC-id_24626969,MCULE-7738665309,EMOLS-id_19978254	302.289	KYFJUMJOTVKYPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061274
O=C(NCc1nnc2n1CCC2)Nc1ccc([N+](=O)[O-])cc1	PC-id_40124830,ZINC22_32889684,MCULE-1600550213,CoCoCo_4565844,EMOLS-id_24986657	302.289	PMYXTNHWOIXRJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061275
[O-][N+](=O)c1c(NCc2n3CCCc3nn2)ccc(c1)C(=O)N	PC-id_24590563	302.289	AMCQYNRIOJNOCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061276
s1c2CCCc2c(c1NC(=C1N=NC(=C1)[N+](=O)[O-])[O-])C#N	PC-id_51415309	302.289	LTTZBGBJMLMQKC-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-061277
Fc1c(F)nc(c(c1NCc1sc2c(c1)CCC2)F)F	PC-id_103749838	302.291	MUEWKHXVQKVRIH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061278
O=C(c1occ2c1CCC2)NC1CC(C1)NCC(F)(F)F	EMOLS-id_318946860	302.292	CCJTZFLMDMYKSX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-061279
C1CCC(CC1)(C(F)(F)F)NC(=O)N1CCn2c1ncc2	PC-id_136564057	302.295	NASNARYYTKJXKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061280
CN1CC(C(C1)C(F)(F)F)C(=O)N1Cc2c(C1)cnn2C	MCULE-3162738835,EMOLS-id_320337995	302.295	SRNLSHOLNOOVOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061281
O=C(c1cn2c(n1)CCC2)NC1CC(C1)NCC(F)(F)F	MCULE-3494430262,EMOLS-id_319843735	302.295	CIYPCQOMQUPWTF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-061282
O=C(C1NCc2c1c[nH]n2)NC1CCC(CC1)C(F)(F)F	EMOLS-id_320226933,MCULE-3728871774	302.295	FXGQFIJDKLFBTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061283
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)CC(F)(F)F	EMOLS-id_110339690	302.295	OUVUILOHSWEXRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061284
O=C(N1Cc2c(C1)cnn2C)CC(C(F)(F)F)NC1CC1	EMOLS-id_319186132	302.295	KSBAKQCIQGQIGL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061285
O=C(NC1CC(n2c1ncc2)C)NCC1(CC1)C(F)(F)F	EMOLS-id_101486666	302.295	VQMACPOBSPHVQT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061286
O=C(NC1CC(n2c1ncc2)C)NC(C(F)(F)F)C1CC1	EMOLS-id_101476829	302.295	LEULATOMWZHZRE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061287
CCC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)F	PC-id_141308584	302.304	SHWBEXFTAVPYCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061288
COC(=O)c1ccc(cc1F)N/N=C
/CC(n2c1ncc2)C	PC-id_145897373	302.304	WWFGKDHPOSIHFB-UYRXBGFRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061289
COC(=O)c1ccc(N/N=C/C[C@H](C)n3ccnc23)cc1F	ZINC22_1875265727	302.304	WWFGKDHPOSIHFB-IPMBLIMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061290
COC(=O)c1ccc(N/N=C/C[C@@H](C)n3ccnc23)cc1F	ZINC22_1875265728	302.304	WWFGKDHPOSIHFB-OERUYQQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061291
COC(=O)C(c1c2CCCn2cc1[N+](=O)[O-])S(=O)(=O)C	PC-id_137638550	302.304	UHOKWSIQPYGPGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061292
FC1(CC1)C(=O)N1Cc2[nH]nc(COc3cccnc3)c2C1	EMOLS-id_313728977,ZINC22_1565547042	302.304	JRPHNBUZLKOJEL-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-061293
Fc1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)C)cc1	PC-id_68442794,SCHEMBL2924351	302.304	BPSYWSWADMJTOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061294
Fc1cc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)C)ccc1	SCHEMBL2915715,PC-id_68439716	302.304	UREXKDJBNQWIAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061295
Fc1c(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)C)cccc1	PC-id_68440449,SCHEMBL2917863	302.304	GFTJSMKUHSNNQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061296
Fc1cc(OCC2CC2)cnc1C(=O)N1CCn2c1ccn2	EMOLS-id_320110406,MCULE-2435695826	302.304	MGFNPJZHFOBXSE-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-061297
Fc1cc(OCC2CC2)cnc1C(=O)N1CCn2c1ncc2	EMOLS-id_319050517	302.304	RZAOHDRMDHKBMM-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-061298
S1(=O)(=O)C(c2n(nc(c2C(=O)OC)C(=O)OC)C1)(C)C	PC-id_16723369	302.304	JUJHANDVBURPMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061299
OC(=O)C(N1C(=O)c2c(C1=O)c(sc2)N)c1ccccc1	SCHEMBL2995692,PC-id_68470402	302.305	OTSZNIXIFVZBAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061300
[O-][N+](=O)c1[nH+]c2n(c1)C[C@H](O2)COC/C=C/c1ccccc1	GD-id_ZINC35080371	302.305	ZKRIYXJNOVPMIH-LVDDQXARSA-O	00000010100000110001000010000000000000000000000000000000	25-01-061301
C1Cc2c(C1)sc(c2C#N)/N=C/c1c([nH]c(=O)[nH]c1=O)O	PC-id_135529132	302.308	NVPHFIAOXJHNNE-PJQLUOCWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061302
c1(C(=O)Nc2sc3CCCc3c2C#N)[nH]c(=O)[nH]c(=O)c1	MCULE-9052322972,EMOLS-id_327937224	302.308	WUAXVNICILOPQU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061303
COC(=O)c1ccccc1N/C=c/1sc2ncnn2c1=O	PC-id_117588133,ZINC22_256028018,EMOLS-id_190366726	302.308	ODKYLQNMILLVKP-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-061304
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CC	MCULE-2637693401	302.308	RRMAPHCTAPUGNK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061305
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CC	MCULE-5478480593	302.308	SAZZYKUJEJOMHQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061306
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CC	MCULE-8524623477	302.308	GZUFNXBIGMTROK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061307
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)N)c2=O	MCULE-4659800062,ZINC22_254526010,EMOLS-id_9063644	302.308	ZIIJUOVRQPQUNT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061308
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)N)c2=O	MCULE-8900232965	302.308	JYLJZGWUSYGTFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061309
n12ncnc1sc(=CNc1ccccc1C(=O)OC)c2=O	MCULE-5856384053	302.308	ODKYLQNMILLVKP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061310
N#Cc1c(NC=C2C(=O)NC(=O)NC2=O)sc2c1CCC2	TIMTEC492582,CoCoCo_3927878,ZINC22_6562427,CoCoCo_3927877,MCULE-3123271501,PC-id_6146750	302.308	UZDVFMLVAHVWRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061311
NC(=O)COc1ccccc1/C=c/1sc2ncnn2c1=O	EMOLS-id_190367152,ZINC22_256028185,PC-id_117588191	302.308	XYDKHDIXWKIERE-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061312
NC(=O)COc1ccc(/C=c/2sc3ncnn3c2=O)cc1	EMOLS-id_45966159,ZINC22_16741761	302.308	ZIIJUOVRQPQUNT-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061313
NC(=O)COc1ccc(/C=c/sc3ncnn3c2=O)cc1	ZINC22_6882938	302.308	ZIIJUOVRQPQUNT-BJMVGYQFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061314
NC(=O)COc1cccc(/C=c/2sc3ncnn3c2=O)c1	ZINC22_256027925,PC-id_117588196,EMOLS-id_192765286	302.308	JYLJZGWUSYGTFH-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061315
s1c2CCCc2c(c1NC(=O)c1nc[nH]c1C(=O)O)C#N	PC-id_65637610	302.308	AYXGFXGOZBQZRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061316
S1Cc2c(noc2NC(=O)c2n[nH]c(c2)c2occc2)C1	PC-id_49720052	302.308	ZFSOZUKSHHKZSX-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-061317
CCc1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324841709	302.309	GZUFNXBIGMTROK-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061318
CCc1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324843748	302.309	SAZZYKUJEJOMHQ-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061319
CCc1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324844777	302.309	RRMAPHCTAPUGNK-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061320
n12ncnc1sc(=Cc1ccccc1OCC(=O)N)c2=O	MCULE-9270668358	302.309	XYDKHDIXWKIERE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061321
O=C1N(C(=O)[N+](=C(NCc2n3CCCc3nn2)C1C#N)C)C	PC-id_74300117	302.312	WKZMEDMKKWYFJS-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-061322
FC(c1ccc(o1)CNCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318632733,MCULE-5636566964	302.315	TYDLMCVAGSGFNE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-061323
FC(c1ccc(s1)CNCc1nnc2n1CCC2)(F)F	EMOLS-id_318765695,MCULE-7256355234	302.319	IZRIRSLYVPNQGL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061324
FC(c1ccn(n1)CCNc1sc2c(n1)CCC2)(F)F	EMOLS-id_318375329,MCULE-1253001814	302.319	LSDVISPSVAXKDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061325
FC(c1cscc1CNCc1nnc2n1CCC2)(F)F	EMOLS-id_318669363,MCULE-4997885026	302.319	XCUJUOUEFRMDEV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061326
FC(c1csc(n1)CNCc1cnc2n1CCC2)(F)F	MCULE-9879562547,EMOLS-id_318032189	302.319	FGIMJWWEQREWOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061327
FC(c1sccc1CNCc1nnc2n1CCC2)(F)F	EMOLS-id_318423968,MCULE-8914483924	302.319	RPTSYOMSYHCBFZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061328
FC(Cn1ncc(c1)CNc1sc2c(n1)CCC2)(F)F	EMOLS-id_318631430,MCULE-4872744881	302.319	RZBOIWAMAPDFDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061329
c1(cccc(F)c1O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6793629646,EMOLS-id_328246593	302.323	MTCMXRVVXVZCAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061330
c1(ccc(F)cc1O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5031273357,EMOLS-id_328189633	302.323	WVHQFZNTCGMUOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061331
COc1ccccc1Cn1nc2c(c1C)C(C(O2)C(=O)O)C	PC-id_67883535,SCHEMBL9583414	302.325	MTUPEGIGKYJJQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061332
COc1ccc(cc1)Cn1nc2c(c1C)C(C(O2)C(=O)O)C	SCHEMBL9583764,PC-id_67883615	302.325	QBCXXZYPVWNXGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061333
COc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)O	SCHEMBL10640408,PC-id_70410186	302.325	KENWXHOVDMYZMR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-061334
s1c2c(CCC2)c(c1NC(=O)C=Cc1occc1)C(=O)[O-]	PC-id_4568702	302.325	NTDQBZBUYUVNCW-UHFFFAOYSA-M	00000010101000000000000010000000000000000000000000000000	25-01-061335
s1c2c(CCC2)c(c1NC(=O)/C=C/c1occc1)C(=O)[O-]	PC-id_5582135	302.325	NTDQBZBUYUVNCW-VOTSOKGWSA-M	00000010101000000000000010000000000000000000000000000000	25-01-061336
c1(NC(=O)c2cc(F)cc(c2)C#N)n(C)nc2CSCc12	EMOLS-id_316254499,MCULE-8675644104,ZINC22_1506408370	302.327	XSUKGBFEHSWXJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061337
N#Cc1c(NC(=O)C(c2ccccc2)F)nc2n1CCS2	EMOLS-id_318515360	302.327	GQYCMLXGBUJARV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061338
[C@@]123OCCN1C(=O)C[C@H]2N(CC3)C(=O)c1c2CCCc2[nH]n1	EMOLS-id_330458170,ZINC22_1857734236,MCULE-4484080550	302.328	GDNDPEBFSBCFIV-ABAIWWIYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061339
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccoc2)n1	MCULE-8327230058	302.328	RJTVXLGVYLGAKC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-061340
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccoc2)n1	MCULE-4363645127,EMOLS-id_316328253	302.328	RJTVXLGVYLGAKC-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-061341
c1(C(=O)NCCOC)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316323131,MCULE-4533023412	302.328	LJZQENBOYJXDQX-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061342
C[C@@]1(CNCCc2ccccc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_140503039	302.328	YFRUQCLTWNGLMR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061343
CCOCc1oc2c(n1)CN(C2)C(=O)NCc1cccnc1	PC-id_97413690	302.328	JIHNDIHWDJQQNL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061344
CC(=O)N(Cc1nn(c2c1CN(C2)C(=O)c1ccco1)C)C	PC-id_97519181	302.328	QWAGJXDAOWFHJY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-061345
CN(Cc1ccccc1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69481667,SCHEMBL5543871	302.328	YLRKSZZYZIYRCZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061346
COc1cccc(c1)C(CNC(=O)C1NCc2c1c[nH]n2)O	EMOLS-id_319407640	302.328	UXOJCPJQBSXUDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061347
COc1ccccc1OCC(=O)NCc1nnc2n1CCC2	MCULE-9597683647,PC-id_53527136,EMOLS-id_36260945,ZINC22_54904186	302.328	IQPHZFRFRHCRMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061348
COc1cc(ccc1O)CN(C(=O)C1NCc2c1c[nH]n2)C	MCULE-7307641235,EMOLS-id_320157597	302.328	SAWLZRLJJQEUHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061349
COc1ccc(C(=O)NCc2nnc3n2CCC3)c(OC)c1	CoCoCo_4474358,PC-id_17513082,MCULE-6395754806,EMOLS-id_16713947,ZINC22_12883542	302.328	LMQMGCMDYXOZHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061350
COc1cc(CNC(=O)C2NCc3c2c[nH]n3)ccc1OC	EMOLS-id_319738480	302.328	CQTICRGLCPHFFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061351
COc1ccnc(c1C(=O)NCc1cnc2n1CCC2)OC	EMOLS-id_318942198	302.328	BPLMJZJXOSEGEF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061352
COc1ccnc(c1C(=O)NCc1n[nH]c2c1CCC2)OC	EMOLS-id_319604503	302.328	QYJKANSOAXHUDH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061353
COc1cc(OC)ccc1CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319222331	302.328	OEYHYFIVPOFBGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061354
COc1cc(OC)cc(C(=O)NCc2nnc3n2CCC3)c1	MCULE-1034015122,PC-id_17508913,EMOLS-id_16702308,CoCoCo_4491053,ZINC22_13001556	302.328	NYCUYFDQKFYMST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061355
COC1(CN(C1)C(=O)c1occ2c1CCC2)c1cnnn1C	EMOLS-id_319621609	302.328	RAGBJVMXFSQVCP-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061356
COCCC(=O)N1Cc2c(C1)[nH]nc2COc1cccnc1	PC-id_97406030	302.328	XJBXIRNUNMZKEJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061357
COCCNC(=O)c1nn2c(c1)CC(C2)Oc1cccnc1	MCULE-1044480236	302.328	LJZQENBOYJXDQX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061358
Nc1nnc(o1)C1CCCN(C1)C(=O)c1occ2c1CCC2	MCULE-4481435694,EMOLS-id_320208407	302.328	VNERKCHWTNRKDJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061359
Nc1nnc(o1)C1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_316643832	302.328	XXAOTQKXTVHAKJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061360
O1C(Cn2c1nc([N+](=O)[O-])c2)(CN(Cc1ccccc1)C)C	PC-id_23081631	302.328	YLRKSZZYZIYRCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061361
O=C(c1conc1C1(C)COC1)NC1CC(n2c1ncc2)C	EMOLS-id_319256399	302.328	ZLHDGHSFXXRPNI-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061362
O=C(c1ncoc1C1CCCO1)NCc1cnc2n1CCC2	EMOLS-id_318999962	302.328	APASPLMTTJYSCG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061363
O=C(c1occ2c1CCC2)N1CCOC(C1)Cn1nncc1	MCULE-5881484739,EMOLS-id_316423071	302.328	XBBXEXDOTWSMAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061364
OCCOc1ccc(cn1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_318895342	302.328	KIGUUJSZVHAVOP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061365
O=C(NCc1n2CCCc2nn1)c1cc(OC)c(OC)cc1	PC-id_52024827	302.328	BCHMUYFVDXOXDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061366
O(C(=O)C1N(C(c2ccccc2)C)c2n(nc(OC)n2)C1)C	PC-id_74035619	302.328	QDCHOJMDTRLRKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061367
OC(=O)CCC(=O)N1Cc2c(C1)n(nc2Cn1cccc1)C	PC-id_97405381	302.328	WSIQOAFPASMYGQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-061368
O(C(=O)[C@H]1N([C@@H](c2ccccc2)C)c2n(nc(OC)n2)C1)C	PC-id_23255929	302.328	QDCHOJMDTRLRKH-PWSUYJOCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061369
C1CCN(C(C1)c1n[nH]c(=O)[nH]1)C(=O)c1n[nH]c2c1CCC2	PC-id_137191904	302.332	IUJQMXIUPYVCGQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061370
c1(C(=O)NCCNc2nc(C)cc(=O)[nH]2)c2CCCc2[nH]n1	EMOLS-id_49874794,ZINC22_215339497,MCULE-6972350289,PC-id_136288661	302.332	HUCCHIVJFAPIEH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061371
Cc1nnc([C@H]2CCCN2C(=O)[C@@H]2Cc3nnc(C)n3C2)o1	ZINC22_1875345204	302.332	VRPALWSHCIYXTJ-GHMZBOCLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061372
Cc1nnc([C@H]2CCCN2C(=O)[C@H]2Cc3nnc(C)n3C2)o1	ZINC22_1875345205	302.332	VRPALWSHCIYXTJ-WDEREUQCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061373
CCCn1nc(ccc1=O)C(=O)NCc1nnc2n1CCC2	CoCoCo_4560409,PC-id_45803628	302.332	ICODFZSNSLUNGB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061374
CCOc1ncccc1NC(=O)NCc1nnc2n1CCC2	ZINC22_48207497,PC-id_53506243,EMOLS-id_35713588,MCULE-4389014790	302.332	FCKWSHGTGYOUSU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061375
Cn1c(c2CCCc2n1)NC(=O)c1cc(=O)[nH]c(n1)N(C)C	PC-id_137190787	302.332	WYKVERHXFBLBOQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061376
COc1ccc(c(n1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319122865	302.332	KLBAJPNDZYAMKM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061377
COC1(CN(C1)C(=O)c1cn2c(n1)CCC2)c1cnnn1C	EMOLS-id_319729835	302.332	CSINSZDUHQOTPX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061378
COC1(CN(C1)C(=O)c1cnc2n1CCC2)c1cnnn1C	EMOLS-id_319508740	302.332	HDBSOSINXJYCES-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061379
COC1(CN(C1)C(=O)c1cnn2c1CCC2)c1cnnn1C	EMOLS-id_319114991	302.332	QDYGZJBJEKGDLY-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061380
COC1(CN(C1)C(=O)c1n[nH]c2c1CCC2)c1cnnn1C	EMOLS-id_319464330	302.332	PZNVQDQUGIFUDC-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061381
COc1ncc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319421528	302.332	CDPJMQDHELHJBS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061382
COc1ncccc1NC(=O)N(C)Cc1nnc2n1CCC2	MCULE-5751359321,EMOLS-id_35714210,PC-id_53500468,ZINC22_61660783	302.332	NCRDQMJGYMIGCD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061383
CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_284565381,EMOLS-id_316040846,MCULE-2276607230	302.332	JNRULSOJPKXLDN-KCJUWKMLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061384
O=C(c1cc2n(n1)CCO2)N1CCC[C@@H](Cn2cncn2)C1	ZINC22_329443992	302.332	BALRRTQZSBUIDA-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061385
O=C(c1cc2n(n1)CCO2)N1CCC[C@H](Cn2cncn2)C1	ZINC22_329443997	302.332	BALRRTQZSBUIDA-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-061386
O=C(c1cn2c(n1)CCC2)NCc1nnn(c1)C1COCC1	EMOLS-id_319859553	302.332	XWBNHJIGWYDWKC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061387
O=C(c1cnn2c1CCC2)N1CCCC(C1)c1[nH][nH]c(=O)n1	EMOLS-id_316918688,MCULE-7343436292	302.332	RYRYWJNVCLDCGF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061388
O=C(c1cnn2c1CCC2)N1CCC[C@@H](c2nc(O)n[nH]2)C1	ZINC22_648893180	302.332	RYRYWJNVCLDCGF-SECBINFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061389
O=C(c1cnn2c1CCC2)N1CCC[C@H](c2nc(O)n[nH]2)C1	ZINC22_648893181	302.332	RYRYWJNVCLDCGF-VIFPVBQESA-N	00000010100010000001100010000000000000000000000000000000	25-01-061390
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)c1n[nH]c(n1)C	MCULE-7531469688,EMOLS-id_99567592	302.332	LFMUZENJMCCFRT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061391
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)Cn1cncn1	EMOLS-id_99590042,MCULE-9675576435	302.332	BALRRTQZSBUIDA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061392
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)Cn1nncc1	EMOLS-id_99606673	302.332	JGOOQGHOHBBHDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061393
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)c1nccn1C	EMOLS-id_99585812	302.332	NOIJUKVFCZVETK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061394
O=C(c1n[nH]c2c1CCC2)N1CCOC(C1)Cn1nncc1	EMOLS-id_318135987	302.332	JWXWTVWFMIHPSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061395
O=C(c1n[nH]c2c1CCC2)NCc1nnn(c1)C1COCC1	EMOLS-id_318826332	302.332	AQRUVONRDOLNTN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061396
O=C([C@H]1Cc2nccn2C1)N1CCC(c2nc(O)n[nH]2)CC1	ZINC22_1875309080	302.332	QEKIQTPNADPCLZ-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-061397
O=C([C@@H]1Cc2nccn2C1)N1CCC(c2nc(O)n[nH]2)CC1	ZINC22_1875309081	302.332	QEKIQTPNADPCLZ-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061398
C[C@@H]1C[C@H](NC(=O)NCc2nc(C3CC3)n[nH]2)c2ncnn12	ZINC22_1647279022	302.335	FMECLUGXPQBFOZ-APPZFPTMSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061399
C[C@H]1C[C@H](NC(=O)NCc2nc(C3CC3)n[nH]2)c2ncnn12	ZINC22_1647279026	302.335	FMECLUGXPQBFOZ-CBAPKCEASA-N	00100010100000000001100010000000000000000000000000000000	25-01-061400
C[C@H]1C[C@@H](NC(=O)NCc2nc(C3CC3)n[nH]2)c2ncnn12	ZINC22_1647279029	302.335	FMECLUGXPQBFOZ-IONNQARKSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061401
C[C@@H]1C[C@@H](NC(=O)NCc2nc(C3CC3)n[nH]2)c2ncnn12	ZINC22_1647279035	302.335	FMECLUGXPQBFOZ-VXNVDRBHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061402
O(c1c(NN=C2c3n(N=C2C)c(nn3)CCCC)[nH]nc1)C	PC-id_59791356	302.335	GWTZZANIDNPKQF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-061403
c12CN(Cc1nn(CC1CC1)c2CN(C)C)CC(F)(F)F	EMOLS-id_324351845,MCULE-9433186309	302.339	HTQPCEGLRHACBH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061404
c12CN(Cc1nn(CC1CCC1)c2CNC)CC(F)(F)F	MCULE-4470004295,EMOLS-id_324352865	302.339	ZBHWBDSYFWUOOP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-061405
c12CN(Cc1nn(CC1CCCCC1)c2N)CC(F)(F)F	MCULE-9631481900,EMOLS-id_324340068	302.339	MQEYIGZRHKYQEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061406
CC1CC(c2n1ccn2)NCC1CCN(C1)CC(F)(F)F	MCULE-3378485780,EMOLS-id_317997527	302.339	OCEDPECDGWLVCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061407
CC(c1nn2c(c1)CCC2)NC1CCN(C1)CC(F)(F)F	MCULE-1075917958,EMOLS-id_318103031	302.339	FVRMMKSIVOVOOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061408
CC(c1nnc2n1CCC2)NC1CCC(CC1)C(F)(F)F	PC-id_64754262,EMOLS-id_318439197,MCULE-1189557273	302.339	SOULMZQMWVBPNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061409
CC(c1nnc2n1CCC2)NC1CCCC(C1)C(F)(F)F	PC-id_64759618,EMOLS-id_318435358,MCULE-9417341236	302.339	FZUHDMYWKIBNPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061410
FC(CN1CCC(CC1)CNC1CCn2c1ncc2)(F)F	EMOLS-id_318307934,MCULE-7485001400	302.339	BWVAQSGIQNXMJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061411
FC(F)(F)C1C(NC(c2n3CCCc3nn2)C)CCCC1	PC-id_64757665	302.339	NTHYAHGTRGCCLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061412
NCC1CN(CCC1C(F)(F)F)Cc1nn2c(c1)CCC2	MCULE-5242223199,EMOLS-id_318317177	302.339	IBOUTXWZLZSPDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061413
c12SCCn1cc(CNC(=O)N1CCC(CC1)(F)F)n2	PC-id_119070987,ZINC22_426615608,MCULE-6809995807,EMOLS-id_82733205	302.343	XMNUMQFJVVHKPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061414
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1C)F	MCULE-8612281967,EMOLS-id_330971571	302.343	LLOYQRLBHVUSAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061415
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1F)C	MCULE-5916425175,EMOLS-id_330971313	302.343	PXXRKZLXYGZYTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061416
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(C)ccc1F	EMOLS-id_330970548,MCULE-9753758621	302.343	JGWNCRHZUHTLDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061417
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(C)c1F	EMOLS-id_330971060,MCULE-2979633800	302.343	MTOVCQCCBREFJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061418
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)F	MCULE-5701714457,EMOLS-id_330971827	302.343	IXQTVJXQICNDLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061419
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(C)cc(F)c1	EMOLS-id_330970804,MCULE-8791607920	302.343	UJYJSSQZXZSDKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061420
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)C	EMOLS-id_330971057,MCULE-8567650408	302.343	HRGJWCZZTPMRKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061421
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(F)ccc1C	EMOLS-id_330971317,MCULE-7255185811	302.343	OOEIBXLXAZQSAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061422
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2C)F)n1	MCULE-7649093764,EMOLS-id_330993394	302.343	MDBCCOILHDSNCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061423
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2F)C)n1	MCULE-4877912984,EMOLS-id_330992882	302.343	DYXDIWYUVJQDQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061424
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(C)c2F)n1	EMOLS-id_330991347,MCULE-4013475051	302.343	UZNUSGQNTADUCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061425
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(C)c2)F)n1	EMOLS-id_330993138,MCULE-9240169865	302.343	ZBZRHFPFAGJGRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061426
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)ccc2F)n1	MCULE-9580614511,EMOLS-id_330991091	302.343	SIIWBNBDXJLIMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061427
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(F)c2)C)n1	EMOLS-id_330992626,MCULE-3707322037	302.343	YDHRLRGLQAHSEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061428
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(F)c2C)n1	MCULE-2578743855,EMOLS-id_330993651	302.343	XRWDIHDDVIJKMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061429
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)ccc2C)n1	EMOLS-id_330989812,MCULE-1968674230	302.343	LNXCSUJRXBGARU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061430
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1C)F	EMOLS-id_330971070,MCULE-6834155888	302.343	HDPOMABETXFJML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061431
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1F)C	EMOLS-id_330970558,MCULE-4332184225	302.343	MRAOSJMMECQLHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061432
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(C)c1F	MCULE-1380422016,EMOLS-id_330973118	302.343	DYNJQZUHKXBJPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061433
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)F	MCULE-7001677789,EMOLS-id_330970814	302.343	DYOSETULMFRCQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061434
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)ccc1F	MCULE-8641098444,EMOLS-id_330972862	302.343	RHMVSHRCPATIAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061435
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)C	EMOLS-id_330970302,MCULE-2974581912	302.343	YKIBGDYSUWVTNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061436
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(F)c1C	EMOLS-id_330971327,MCULE-2779679124	302.343	CBVRINSEPSPYCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061437
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)ccc1C	EMOLS-id_330971583,MCULE-1800424878	302.343	WVUGRYXZZFZWAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061438
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)F	EMOLS-id_330975161,MCULE-8180211290	302.343	XWJKDAUZNHKCDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061439
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccccc1F	EMOLS-id_330975931,MCULE-8066200727	302.343	AGFDDMWQDZUMDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061440
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2F)n1	EMOLS-id_330995961,MCULE-7225895495	302.343	JDTNGJHSYWJKBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061441
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)F)n1	EMOLS-id_330997496,MCULE-1659867221	302.343	GACHEFXSGVTBER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061442
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(F)c2)n1	EMOLS-id_330994426,MCULE-9976023853	302.343	QOQOUPSGYVESEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061443
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1F	MCULE-2751016938,EMOLS-id_330980788	302.343	GZMZRSBLWYRAGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061444
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)F	MCULE-3899647875,EMOLS-id_330978228	302.343	HOWBMSQSRFOVOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061445
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(F)c1	MCULE-6933435254,EMOLS-id_330979253	302.343	FAICAPYABARNQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061446
CC1CCc2c1c(C=O)nn2Cc1ccc(OCCF)cc1	MCULE-4611232935,EMOLS-id_331002866	302.343	BCPPDJCTBRURJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061447
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(C=O)c12	EMOLS-id_330982589,MCULE-6793869981	302.343	GRPSUSGSMNEFSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061448
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1C(=O)O	EMOLS-id_330971573,MCULE-7772396811	302.343	QPGUFCYTRPBKKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061449
CC(Nc1cccc(c1NC(=O)c1occ2c1CCC2)F)C	EMOLS-id_319396420	302.343	RYPSKVKKHCOIDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061450
CCOc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1F	MCULE-5991118804,EMOLS-id_330982333	302.343	ITTQQJJKTJTJCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061451
CCOc1ccc(Cn2nc3CCC(C)c3c2C=O)c(F)c1	EMOLS-id_330982845,MCULE-8288814733	302.343	DKZUKWDSXXEREU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061452
CCOc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1F	MCULE-5596876511,EMOLS-id_331002610	302.343	ATLZNMNFNGJLLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061453
CCOc1ccc(Cn2nc(C=O)c3C(C)CCc23)c(F)c1	MCULE-8891408545,EMOLS-id_331003122	302.343	ALPCPYCGAPGQDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061454
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330985655,MCULE-1719025802	302.343	DIADTUIVPBKHFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061455
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1C=O	MCULE-7756890294,EMOLS-id_330987444	302.343	DACNDTQYFRBAEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061456
COc1cccc(C(C)n2nc3CCC(C)c3c2C=O)c1F	EMOLS-id_330986167,MCULE-9362103686	302.343	FGHRGMUUUBYTSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061457
COc1ccc(C(C)n2nc3CCC(C)c3c2C=O)c(F)c1	EMOLS-id_330987188,MCULE-8835083960	302.343	TXIOXBNTFHPIPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061458
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1C=O	MCULE-7906361593,EMOLS-id_330986680	302.343	GBQLFNBNTAEUAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061459
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1C=O	MCULE-3569422733,EMOLS-id_330986424	302.343	UTTQEYNCTNRJIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061460
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330985911,MCULE-3477292768	302.343	RIOCHBULQJLYGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061461
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988725,MCULE-9715394629	302.343	HDTJMSFRJMWIRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061462
COC(=O)c1c(oc2c1S(=O)(=O)OC2C(C)C)C(C)C	PC-id_138520012,SCHEMBL20872208	302.343	LEVVLSQEQJPERK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061463
O=C(N1CCC(C1)(F)F)NCCc1cn2c(n1)SCC2	EMOLS-id_99896214	302.343	OZPIRUJORQXHLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061464
COc1cc(c(cc1)C(=O)C1Cc2c(C1=O)ccs2)OC	PC-id_86699197,SCHEMBL15312230	302.345	YGONENGQUDOWSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061465
COC(=O)c1ccc(OC(=O)c2cc3c(s2)CCC3)cc1	CHEMBL4552115,PC-id_17391356,EMOLS-id_15245249,ZINC22_13137607,MCULE-8404588436,CoCoCo_3345812	302.345	QBZLZHPZAOBYKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061466
OC(=O)C1CCc2c1sc(c2C(=O)c1ccccc1O)C	PC-id_13787410,SCHEMBL10745286	302.345	OFMJOWRFVNXHNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061467
OC(=O)OC1CCc2c1sc(c2C(=O)c1ccccc1)C	PC-id_70414090,SCHEMBL10654963	302.345	AITFVLVRDQSRJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061468
c12CN(Cc1nn(CCF)c2C(=O)NC)Cc1ccccc1	MCULE-9549426024,EMOLS-id_324352367	302.347	MBBHFESASZABQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061469
c1(CNC(=O)NCc2ccc(F)cc2)c2CCCc2nn1C	ZINC22_225818779,MCULE-5304040377,PC-id_91819414,EMOLS-id_53884697	302.347	CXWLCEZPVFKPQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061470
CC(C(=O)NCCc1ccc(cc1)F)N1CCn2c1ncc2	PC-id_136563301,MCULE-1198655396,EMOLS-id_317779648	302.347	FCZYNAWRJSUKGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061471
CC(Nc1cccc(c1NC(=O)c1cnc2n1CCC2)F)C	EMOLS-id_278948018	302.347	VTOYCEAIBIQAPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061472
CC(Nc1cccc(c1NC(=O)c1cnn2c1CCC2)F)C	EMOLS-id_320213899,MCULE-8895639649	302.347	FQHMVGFDHXQQQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061473
CN(C)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)c(F)c1	ZINC22_269688547,EMOLS-id_316827431,MCULE-5906209326	302.347	DMQOZKBQQURTEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061474
CN(C)Cc1nn(C)c2c1CN(C(=O)c1ccc(F)cc1)C2	EMOLS-id_46181901,ZINC22_96084447,PC-id_97405273	302.347	JGBQGJAFZCXWGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061475
CN(C)C(=O)c1nn(C)c2c1CN(Cc1ccc(F)cc1)C2	ZINC22_96187532,EMOLS-id_44325347,PC-id_97461990,CHEMBL3552441	302.347	YYBZORAQOMDCKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061476
Fc1cccc(c1)CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318471951	302.347	OLBGRFQDDNJGLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061477
Fc1cc(C)c(c(c1)C)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318661979	302.347	FVCVYBQDZPCONT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061478
O=C(c1ccc(cc1F)N(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318398612	302.347	YHHGWGBECGCPGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061479
O=C(c1ccc(c(c1)F)N(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318669027	302.347	QRMRTHKFOFONAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061480
O=C(c1ccc(c(c1)F)N(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318524824	302.347	LEVAAOGDTSDTRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061481
O=C(c1ccc(cc1F)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_318779798	302.347	ZWCNIZGTLOUBSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061482
O=C(c1ccc(c(c1)F)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_319853593	302.347	VUKUYNSOQHHXKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061483
O=C(c1ccc(c(c1)F)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318780293	302.347	AIWAXFBIPJEXSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061484
O=C(c1ccc(cc1F)N(C)C)NCc1n[nH]c2c1CCC2	MCULE-3201368796,EMOLS-id_320141599	302.347	QTOSKSUULTXNNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061485
O=C(c1cc(C)c(c(c1)C)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318724506	302.347	FXOUEWCZPKLBOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061486
O=C(C1NCc2c1c[nH]n2)NCC(c1ccccc1F)(C)C	EMOLS-id_319755251	302.347	KNOCJQMBGBVUJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061487
O=C(C(c1ccc(cc1)F)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318536335	302.347	JPWKHMHHZKHWAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061488
O=C(Cc1cc(C)ccc1F)NC(c1nnc2n1CCC2)C	EMOLS-id_318656526	302.347	ACHDGRZKZXZAEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061489
O=C(N(Cc1ccccc1F)C)NC1CC(n2c1ncc2)C	EMOLS-id_318815500	302.347	PJGWYCOVKGJHSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061490
c12c(CCC1C(=O)O)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_44116802,EMOLS-id_27513987,MCULE-4149616971	302.348	XFDXXMRHDJLRRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061491
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1c(cc(cc1)O)O	PC-id_135749592	302.348	YKVWSJNHPRPABJ-LZYBPNLTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061492
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1c(c(ccc1)O)O	PC-id_135749610	302.348	ALZWJPCHTDQOGM-LZYBPNLTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061493
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_603037,SPECS-id_AT-225/NB59656,MCULE-6526554106,ChEMBL-DNDi_CHEMBL5696208,STOCK2S-58841,CoCoCo_187558,PC-id_718813,BAS-01292336,ZINC22_118508	302.348	CCOXWSNNMMKBKA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061494
c1(NC(=O)c2ccncc2)sc2c(CCC2)c1C(=O)OC	Chemmine_7415,MCULE-1073294230,ZINC22_138050,CoCoCo_331944,SPECS-id_AK-968/37129223,EMOLS-id_1463295,BAS-05160950,PC-id_728036	302.348	VJMSVPJTTIDIPT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061495
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)N	PC-id_3655650,MCULE-2796285112	302.348	XESSXANVPYXNNJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-061496
c1(NC(=O)Oc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-9046927226,PC-id_8070118,STOCK6S-12854,ZINC22_6756592,EMOLS-id_4743875	302.348	RPRVLIJUCKSQRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061497
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)OC(=O)C	EMOLS-id_334660312,PC-id_5115915,MCULE-5214575549	302.348	FEMAEIPGARFYCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061498
c1(sc2c(CCC2)n1)NC(=O)c1cccc(c1)OC(=O)C	MCULE-5716198356,EMOLS-id_334660049	302.348	OOCIVCXVESLHNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061499
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)O)cc1	CoCoCo_5091170,PC-id_42281834,ZINC22_11920130	302.348	XFDXXMRHDJLRRL-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061500
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)O)cc1	PC-id_42281832,CoCoCo_5091171,ZINC22_11920129	302.348	XFDXXMRHDJLRRL-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-061501
Cc1nccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_106752497	302.348	YSFKDMPOWHCWNB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061502
COC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	MCULE-4572964871,EMOLS-id_24099070,ZINC22_12973664,CoCoCo_4164201,PC-id_25639118	302.348	CUFSRANIUFTHFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061503
COC(=O)c1c(NC(=O)c2ccccn2)sc2c1CCC2	ZINC22_95349085,PC-id_75412761,MCULE-7475995722,EMOLS-id_48205698	302.348	HKBVFFKSQQRIBI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061504
NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCC2	ChemDIV8170-0531,CoCoCo_1989698,EMOLS-id_26563316,TIMTEC544019,SPECS-id_AN-153/I253408,PC-id_959649,ZINC22_568711	302.348	XESSXANVPYXNNJ-VOTSOKGWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-061505
O=C1SCc2c1n(C(=O)C)c(=O)n2[C@H](c1ccccc1)C	PC-id_14461226,SCHEMBL9701711	302.348	QABRVUPWHTXENG-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-061506
O=C(c1sc2c(c1)CCC2)Nc1cc(cnc1C)C(=O)O	EMOLS-id_319464793	302.348	IBSDZSFMPZURNN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061507
O=C(c1sc2c(c1)CCC2)NCc1nccc(c1)C(=O)O	PC-id_114324046	302.348	VNUZMUXEDNEHAP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061508
O=C(Cc1ccccc1C(=O)O)Nc1sc2c(n1)CCC2	PC-id_104601483	302.348	YYUMJZGWYIZEBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061509
O=C(Nc1sc2c(c1C(=O)N)CCC2)/C=Cc1ccco1	CoCoCo_1989699	302.348	XESSXANVPYXNNJ-SREVYHEPSA-N	00000010101000000000000010000000000000000000000000000000	25-01-061510
OC(=O)Cc1ccc(cn1)NC(=O)c1sc2c(c1)CCC2	PC-id_107338953	302.348	ZWHNOSANDZKWSI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061511
s1c2CCCc2cc1CNc1c([N+](=O)[O-])cc(cc1)C=O	PC-id_83104678	302.348	SVALOPBOWWXHSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061512
s1c2CCCc2cc1CNC(=O)c1ncccc1C(=O)O	PC-id_63616086	302.348	PLPQSCAATOMPNS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061513
s1c2CCCc2cc1C(=O)Nc1c(ccc(N)c1)C(=O)O	PC-id_63116252	302.348	WPOBPKCQHDUUAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061514
s1c2CCCc2cc1C(=O)Nc1c(ccc([N+](=O)[O-])c1)C	PC-id_51180104	302.348	RUIYBGKCWAJUAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061515
s1c2CCCc2cc1C(=O)Nc1c(cc(N)cc1)C(=O)O	PC-id_63115773	302.348	DWUCZFLETQOORN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061516
s1c2CCCc2cc1C(=O)Nc1c(c([N+](=O)[O-])ccc1)C	PC-id_9270685	302.348	SBJUEBRPMQVRMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061517
s1c2CCCc2cc1C(=O)Nc1c(N)cc(cc1)C(=O)O	PC-id_63117372	302.348	YVIJNJPXEHDOBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061518
s1c2CCCc2cc1C(=O)NCc1ccc(nc1)C(=O)O	PC-id_81092111	302.348	OMVQTSVTTJEKBF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061519
s1c2CCCc2cc1C(=O)NNC=C1C(=CC(=O)C=C1)O	PC-id_9462431	302.348	HKLCVBKOEHMGSJ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-061520
s1c2CCCc2cc1C(=O)NNC=C1C(=O)C(=CC=C1)O	PC-id_9462601	302.348	ISBPAWDPYUSKTA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-061521
s1c2CCCc2cc1C(=O)NNC(=O)c1c(O)cccc1	PC-id_27684407	302.348	IPQIIUUXUQPHPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061522
s1c2c(CCC2)c(c1NC(=O)c1ccc(nc1)C)C(=O)O	PC-id_43328022	302.348	ALXCFRRANHGQAE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061523
s1c2c(CCC2)c(c1NC(=O)c1cc(cnc1)C)C(=O)O	PC-id_65563997	302.348	KSCGJSGAABQVMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061524
s1c2c(CCC2)c(c1NC(=O)c1c(nccc1)C)C(=O)O	PC-id_80078824	302.348	KOTWPHNXWDPERI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061525
s1c2c(CCC2)c(c1NC(=O)c1nc(ccc1)C)C(=O)O	PC-id_43145448	302.348	QQPOFQPIWRIEFB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061526
s1c2c(CCC2)c(c1NC(=O)c1ncccc1C)C(=O)O	PC-id_62340805	302.348	FPQDMZTZFXRPOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061527
s1c2c(CCC2)c(c1NC(=O)Cc1cccnc1)C(=O)O	PC-id_62691217	302.348	OPDSKYIBTXOFRQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061528
s1c2c(CCC2)c(c1NC(=O)Nc1ccccc1)C(=O)O	PC-id_28860251	302.348	ACJAUNMUOVZSKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061529
S1Cc2c(noc2NC(=O)CCC(=O)c2ccccc2)C1	PC-id_49718997	302.348	ONAXUDUPZLSXIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061530
S1Cc2n(C(c3ccccc3)C)c(=O)n(c2C1=O)C(=O)C	PC-id_14461225	302.348	QABRVUPWHTXENG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061531
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)F	PC-id_111020275	302.35	UTBIPUOXGCAKHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061532
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1F	PC-id_111020307	302.35	ULMZIYJHPKOXBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061533
CN=C(NCc1nnc2n1CCC2)NCc1cccc(c1)F	PC-id_111020611	302.35	MRMVBPNPKXTOID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061534
COCCCS(=O)(=O)NCC(=O)N1CCn2c1ncc2	EMOLS-id_316583375	302.35	IGRFAXSPMFFCRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061535
COCCN(C)S(=O)(=O)NC(=O)c1cc2n(n1)CCC2	ZINC22_2325807055	302.35	WXXIHWXRELPTSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061536
Fc1cccnc1N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318722069,MCULE-3951327270	302.35	MCRCMRUHVHFLNX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-061537
S(=O)(=O)(NC(c1n2CCCc2nn1)C)CCCC(=O)O	PC-id_43700473	302.35	CMEDZDPVUWCLPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061538
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)CCCC(=O)O	PC-id_60951333	302.35	XRCSABCGGCVEFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061539
c12SCCn1cc(Cn1ccnc1c1ccc(CO)o1)n2	MCULE-1977394233,ZINC22_71745856,EMOLS-id_43111357,PC-id_56868919	302.352	VQFIDSMVBXQBFV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-061540
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C(=O)NC	MCULE-1296666427,EMOLS-id_334332883	302.352	KVYOJHPPLIZHLN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061541
Cc1ncc(cc1)NC(=O)NCc1c2CNC(=O)c2cs1	PC-id_135178833,SCHEMBL20329528	302.352	GKSDUWGBCCZDBC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061542
CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)C=Cc1cccs1	SCHEMBL2921973,PC-id_87455718,SCHEMBL2921975	302.352	XZSSAXWXMLFZOX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061543
CN1N=C(C(=O)Nc2sc3c(c2C#N)CCC3)CCC1=O	PC-id_71943971,MCULE-1429286805,EMOLS-id_44492311,ZINC22_57650243	302.352	TXBUXPSHHUGVJK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-061544
N#Cc1cccc(c1)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316655918	302.352	LQEFHMNIEXDECT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061545
N#Cc1ccc(cc1)CS(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-2208629925,EMOLS-id_319854965	302.352	FLIDUIWRRILLHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061546
N#Cc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	MCULE-6448155344,EMOLS-id_320191603	302.352	ZAEVXZWRNQDZGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061547
N#Cc1cccc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320098162,MCULE-4264330447	302.352	UOWMSPHAEHQKIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061548
N#Cc1ccc(cc1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320267028,MCULE-9166641366	302.352	DUEIRUDSEIZKTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061549
N#Cc1c(C)cccc1S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316641096	302.352	UUQDHPMIZYJYSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061550
N#CCc1ccc(cc1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316668709	302.352	DEZOHGFLMQZWOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061551
N#CCc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319096377	302.352	ZMYOJLJEGLMJMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061552
O=C(c1cnc([nH]c1=O)C1CC1)Nc1sc2c(n1)CCC2	EMOLS-id_258031458,MCULE-4712003353	302.352	BXBMKNDDOPXASJ-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-061553
O=C(Nc1c2CNCc2nn1C(=O)C)/C=Cc1cscc1	SCHEMBL2925911	302.352	YHOAMXBEHHKSRQ-IHWYPQMZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061554
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)/C=Cc1cccs1	SCHEMBL2921970	302.352	XZSSAXWXMLFZOX-PLNGDYQASA-N	00000010100100000001000010000000000000000000000000000000	25-01-061555
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)/C=Cc1cscc1	SCHEMBL2918413	302.352	RNCKEQCFYDSEPO-IHWYPQMZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061556
O=C(Nc1n[nH]c2c1CN(C2)C(=O)C)C=Cc1cscc1	PC-id_68440609,SCHEMBL2918418	302.352	RNCKEQCFYDSEPO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061557
O=C(Nc1n[nH]c2c1CN[C@@H]2C(=O)C)C=Cc1cscc1	SCHEMBL2925915,PC-id_68443443	302.352	MSLYCABWSPPIAY-GFCCVEGCSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061558
s1c2CCCc2cc1C(=O)NNC(=O)c1ncc(nc1)C	PC-id_29763770	302.352	DBFJSRFMPJGHOC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061559
s1c2CNCc2nc1NC(=O)c1cc(NC(=O)C)ccc1	PC-id_82194020	302.352	FEVQYSLGHKDPCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061560
s1c2CN(Cc2nc1N)C(=O)c1cc(NC(=O)C)ccc1	PC-id_82194133	302.352	CQFLYUQXPSCUFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061561
s1c2CNCc2nc1NC(=O)CNC(=O)c1ccccc1	PC-id_82194054	302.352	ZZXQDBNZWYWQQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061562
s1c2CN(Cc2nc1N)C(=O)CNC(=O)c1ccccc1	PC-id_82194166	302.352	XORWMVIMSJLSGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061563
s1cc(C=CC(=O)Nc2n(nc3c2CNC3)C(=O)C)cc1	PC-id_68443440	302.352	YHOAMXBEHHKSRQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061564
s1cc(C=CC(=O)Nc2n[nH]c3C(NCc23)C(=O)C)cc1	PC-id_77501020	302.352	MSLYCABWSPPIAY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061565
c1(C(=O)NCc2cn3c(SCC3)n2)cnn2ccn(C)c12	ZINC22_97637871,MCULE-2185352705,PC-id_74242431,EMOLS-id_49664056	302.355	PIAGQSLALOPDMF-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-061566
c1(C(=O)NC(C)c2cn3c(scn3)n2)c2CCCc2[nH]n1	EMOLS-id_49877648,PC-id_77084966,MCULE-3703394517	302.355	NKSUAXHSNUCLRW-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-061567
c1(NC(=O)c2cnn3ccn(C)c23)n(C)nc2CSCc12	ZINC22_1529099538,EMOLS-id_316165547,PC-id_134697016,MCULE-4998606218	302.355	AVSZXSWYKNHIQK-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-061568
Cc1cnn(CCC(=O)Nc2nc3n(c2C#N)CCS3)c1	PC-id_72010003,ZINC22_96410989,MCULE-4739473345,EMOLS-id_49027705	302.355	OWSUYALNOYGWCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061569
Cc1nsc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc23)c1C#N	ZINC22_333802662	302.355	DPODHVXOHVFRCJ-GMSGAONNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061570
Cc1nsc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc23)c1C#N	ZINC22_333802664	302.355	DPODHVXOHVFRCJ-OIBJUYFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061571
Cc1nsc(NC(=O)N[C@H]2C[C@@H](C)n3ccnc23)c1C#N	ZINC22_333802666	302.355	DPODHVXOHVFRCJ-XCBNKYQSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061572
Cc1nsc(NC(=O)N[C@H]2C[C@H](C)n3ccnc23)c1C#N	ZINC22_333802668	302.355	DPODHVXOHVFRCJ-XVKPBYJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061573
C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1cn2ncsc2n1	PC-id_99931613,ZINC22_215466370	302.355	NKSUAXHSNUCLRW-SSDOTTSWSA-N	00000010100000000001000110000000000000000000000000000000	25-01-061574
C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1cn2ncsc2n1	ZINC22_215466324,PC-id_99931612	302.355	NKSUAXHSNUCLRW-ZETCQYMHSA-N	00000010100000000001000110000000000000000000000000000000	25-01-061575
CCn1nc(C)cc1C(=O)Nc1nc2n(c1C#N)CCS2	MCULE-1086098089,EMOLS-id_43377845,PC-id_72132816,ZINC22_76017109	302.355	VUTIGJMGDNSFRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061576
CN(C(=O)c1cc2c(s1)[nH]nc2)Cc1nnc2n1CCC2	EMOLS-id_318957549	302.355	BLACABQLQBZVSH-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-061577
N#Cc1c(snc1C)NC(=O)NC1CC(n2c1ncc2)C	MCULE-1932312397,EMOLS-id_101604291	302.355	DPODHVXOHVFRCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061578
NCc1nnn(c1)CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_115459628	302.355	NZENNVYDNKLTOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061579
s1c2CCCc2c(c1NC(=O)c1nnn(CCN)c1)C#N	PC-id_65944123	302.355	PSSOAEUMOOURMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061580
Fc1ccc2c(c1)C(C2)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318614311	302.367	MPGJODHGCDIINV-UHFFFAOYSA-N	00001010100000100001001010000000000000000000000000000000	25-01-061581
s1c2CCCc2cc1C(=O)NN=C(c1c(F)cccc1)C	PC-id_85015518	302.367	RMCQLBVMPFCMRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061582
s1c2CCCc2cc1C(=O)N/N=C(c1c(F)cccc1)/C	PC-id_9462532	302.367	RMCQLBVMPFCMRJ-ZDLGFXPLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061583
s1c(NC(=O)C2C(C2)c2ccc(F)cc2)nc2CCCc12	PC-id_51295355	302.367	BGKJZBUGUPRTEO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-061584
COc1ccc(Cn2nc3CCC(C)c3c2CO)cc1OC	MCULE-4501558235,EMOLS-id_330990003	302.368	GFSLQLNRJSHEKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061585
COc1ccc(Cn2nc3CCC(C)c3c2CO)c(OC)c1	MCULE-7738566388,EMOLS-id_330990259	302.368	QZFFGTFNIXGDTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061586
COc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1OC	MCULE-6687313310,EMOLS-id_331007224	302.368	JKCIPUFQKQFZBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061587
COc1ccc(Cn2nc(CO)c3C(C)CCc23)c(OC)c1	MCULE-2928748054,EMOLS-id_331007480	302.368	KOMDZQZULBLOFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061588
FC1CCC(C1)CS(=O)(=O)NCc1nnc2n1CCC2	EMOLS-id_319454547	302.368	KMDKQYKTDVOCTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061589
OCc1cn2c(n1)O[C@@H](C2)COc1ccc(cc1)C(C)(C)C	PC-id_140261682	302.368	GPOGMFOLAHDQIG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061590
O=C([C@H](c1ccccc1)n1ncc2CCCc12)c1ccccc1	CoCoCo_5562286,LI_176772	302.37	SSVXXPOTTOOZMI-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-061591
O=C([C@H](n1ncc2c1CCC2)c1ccccc1)c1ccccc1	CoCoCo_5562285,NSC260821	302.37	SSVXXPOTTOOZMI-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061592
O=C(C(n1ncc2c1CCC2)c1ccccc1)c1ccccc1	PC-id_319160	302.37	SSVXXPOTTOOZMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061593
OC(=O)C1CCc2c1nc(s2)NC1CCS(=O)(=O)C1	PC-id_104287556	302.37	MIWZCQHEIGYNME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061594
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)NC1CC1	PC-id_113636678	302.37	FKLCZGHRLBSJMN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-061595
C1Cc2c(n(c(=O)n2C1)CCCCNCc1ccccn1)O	BindingDB_PC-id_91930428,PC-id_91930428	302.371	SQAVGULBHZSXJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061596
c1(cc(on1)CC(C)C)C(=O)N(C)Cc1[nH]nc2CCCc12	ZINC22_67872964,EMOLS-id_32402022,PC-id_50966037,MCULE-3248162117	302.371	VYRVTBNUSRVCAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061597
c1(C(=O)N2CCN(CC2)C(=O)C2CCC2)c2CCCc2[nH]n1	MCULE-9322043471,EMOLS-id_323257018	302.371	LPNSZIGNKBYZAQ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-061598
c1(C(=O)OC(C)(C)C)n2CCCc2c(C#N)c1/N=C/N(C)C	EMOLS-id_49185837,PC-id_75466267,ZINC22_100025418,MCULE-5729090808,SPECS-id_AT-687/NB03686	302.371	CLEKRMNBSGDMEI-VCHYOVAHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061599
c1(C(=O)OC(C)(C)C)n2CCCc2c(C#N)c1N=CN(C)C	MCULE-9126604414,EMOLS-id_301069595	302.371	CLEKRMNBSGDMEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061600
Cc1onc(c1C(C(=O)NCc1n[nH]c2c1CCC2)(C)C)C	EMOLS-id_318821294	302.371	XNAXSXKLFMMYNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061601
C=CC(=O)N1CCC(C(=O)Nc2c3c(nn2C)CCC3)CC1	PC-id_145903946,MCULE-3921210956,ZINC22_1875370575	302.371	UPXMWSKVEBWPSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061602
CCNC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109585	302.371	PFAGUEMVVMIVOS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-061603
CCOc1ccc(cc1NC1CC(n2c1ncn2)C)OCC	EMOLS-id_319319756	302.371	YYGYTKCPIFSSSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061604
Cn1nc(c2c1CN(C2)Cc1cocc1)CN1CCOCC1	PC-id_97405354	302.371	QORSTJDNRGKCQX-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-061605
Cn1nc(CN2CCCC2=O)c2c1CN(C(=O)CC1CC1)C2	PC-id_97519189,ZINC22_96259099,EMOLS-id_44369746	302.371	BCGNKSMKOSKHNF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061606
CN(C(c1cnn(c1)C)CNC(=O)c1occ2c1CCC2)C	EMOLS-id_177245728,MCULE-5834215945	302.371	UETNZCQELCSVCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061607
CN(C)[C@@H](CNC(=O)c1occ2c1CCC2)c1cnn(C)c1	ZINC22_585081878	302.371	UETNZCQELCSVCD-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061608
CN(C)[C@H](CNC(=O)c1occ2c1CCC2)c1cnn(C)c1	ZINC22_585081879	302.371	UETNZCQELCSVCD-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061609
COc1ccc(cc1CNC(c1nnc2n1CCC2)C)OC	MCULE-3278412079,PC-id_45815771	302.371	OGFITRRKXYHPFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061610
COc1cccc(c1)OC(CNC1CC(n2c1ncn2)C)C	EMOLS-id_279083352	302.371	VKVZTCBWLRMMKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061611
COc1cc(CNC(c2nnc3n2CCC3)C)cc(c1)OC	EMOLS-id_36632223,PC-id_53534724	302.371	QYAYNMWNMARUCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061612
COc1cc(CN[C@@H](C)c2nnc3n2CCC3)cc(OC)c1	PC-id_52583053,ZINC22_58773273	302.371	QYAYNMWNMARUCQ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-061613
COc1cc(CN[C@H](C)c2nnc3n2CCC3)cc(OC)c1	ZINC22_58773274,PC-id_52583055	302.371	QYAYNMWNMARUCQ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061614
COc1ccc(OC)c(CN[C@@H](C)c2nnc3n2CCC3)c1	PC-id_93613846,ZINC22_40513718,CoCoCo_4858061	302.371	OGFITRRKXYHPFX-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-061615
COc1ccc(OC)c(CN[C@H](C)c2nnc3n2CCC3)c1	ZINC22_40513719,CoCoCo_4858062,PC-id_93613847	302.371	OGFITRRKXYHPFX-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061616
O=C1CC(CC(=O)N1Cc1nnc2n1CCC2)C1CCCC1	MCULE-2555264676,EMOLS-id_320168239	302.371	UWKCYOIYXGXNOI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061617
O(c1c(O)c(CNC(c2n3CCCc3nn2)C)ccc1)CC	PC-id_75889725	302.371	YQLJCVIXPVUKDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061618
O(c1c(O)c(CN[C@H](c2n3CCCc3nn2)C)ccc1)CC	PC-id_52640840	302.371	YQLJCVIXPVUKDG-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-061619
O(c1c(O)c(CN[C@@H](c2n3CCCc3nn2)C)ccc1)CC	PC-id_52640842	302.371	YQLJCVIXPVUKDG-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061620
O=C(C1CC1)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110355612	302.371	CWQPLMGVZHALSM-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-061621
O=C(C1CCCN1C(=O)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_319344386	302.371	SSNNTTZLPMXIBK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061622
O=C(C1CCCN1C(=O)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318903492	302.371	NVOYTTSFVNSJHE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061623
OCCC(c1ccc(cc1)OC)NC1CC(n2c1ncn2)C	EMOLS-id_279083675	302.371	BRFFZJWGAOUTMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061624
O=C(CC(c1c(C)noc1C)C)NCc1cnc2n1CCC2	MCULE-8529860926,EMOLS-id_320106735	302.371	COFORLZEQRYRRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061625
O=C(CC(c1c(C)noc1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318868721	302.371	YBDJICSQWSXCMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061626
O=C([C@@H]1CCCN1C(=O)C1CC1)NCc1cnc2n1CCC2	EMOLS-id_320081852,MCULE-5301778869	302.371	SSNNTTZLPMXIBK-ZDUSSCGKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061627
O=C([C@@H]1CCCN1C(=O)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318903236	302.371	NVOYTTSFVNSJHE-AWEZNQCLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061628
OC(COc1cccc(c1)C)CNC1CC(n2c1ncn2)C	EMOLS-id_279082185	302.371	BMHOWSWXHPSETK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061629
O=C(N1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2)C1CC1	EMOLS-id_97921791	302.371	VYBDPFIGENRHPY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-061630
s1c2CCCc2c(c1NC(=O)C[NH2+]Cc1occc1)C#N	PC-id_9465957	302.371	MNKNYKVMJMVCMJ-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-061631
c1(NC(=O)CN(C)Cc2c3CCCc3[nH]n2)cnn(C)c1C	PC-id_91838310,ZINC22_244899386,EMOLS-id_55671051,MCULE-6101083540	302.375	ZIVCKKOOCYBKDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061632
c1(NC(=O)NCc2c3CCCc3[nH]n2)n(C)nc(C(C)C)c1	ZINC22_299794448,EMOLS-id_68927931,MCULE-4042761160,PC-id_118788926	302.375	KSNFTOIJFVFCAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061633
Cc1c(CCC(=O)NCc2n3c(CCC3)nn2)c(C)n(C)n1	PC-id_53523588,MCULE-1470429879,ZINC22_42648737,EMOLS-id_36262531	302.375	BFSKGZOOUSNUND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061634
Cc1cc(C)n(CCCC(=O)NCc2nnc3CCCn23)n1	ZINC22_219397574,MCULE-4062576408,EMOLS-id_55632636,PC-id_91770555	302.375	DIJHDIKFUNSFKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061635
Cc1cc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc23)nn1C(C)C	ZINC22_333531786	302.375	MJHMGGAOIAKVEM-CMPLNLGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061636
Cc1cc(NC(=O)N[C@H]2C[C@H](C)n3ccnc23)nn1C(C)C	ZINC22_333531787	302.375	MJHMGGAOIAKVEM-JQWIXIFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061637
Cc1cc(NC(=O)N[C@H]2C[C@@H](C)n3ccnc23)nn1C(C)C	ZINC22_333531788	302.375	MJHMGGAOIAKVEM-PWSUYJOCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061638
Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc23)nn1C(C)C	ZINC22_333531789	302.375	MJHMGGAOIAKVEM-ZYHUDNBSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061639
Cc1c(cnn1C1CCOCC1)NC1CC(n2c1ncn2)C	EMOLS-id_318487442,MCULE-2209466643	302.375	PGAUORCCOUIJDF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061640
Cc1nn(C)c(C)c1CC(=O)N(C)Cc1nnc2n1CCC2	ZINC22_42749722,EMOLS-id_36268946,PC-id_53523366,MCULE-4030703798	302.375	JADHLNKDXLCZGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061641
Cc1noc(c1)CN1CCN(CC1)CC1CCc2n1ncn2	MCULE-9931711810,EMOLS-id_316937314	302.375	FVXNORIHDDJRBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061642
CCc1nn(c(c1CNC(=O)C1NCc2c1c[nH]n2)CC)C	EMOLS-id_318929018	302.375	OPILQVGTLLJXAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061643
CC(C)c1nccn1C(C)C(=O)NCc1nnc2CCCn12	PC-id_72838764,EMOLS-id_46600110,MCULE-6264015253	302.375	SMJNZEWOIRTWCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061644
CC(C)c1nccn1[C@@H](C)C(=O)NCc1nnc2n1CCC2	PC-id_97186918,ZINC22_95352671	302.375	SMJNZEWOIRTWCO-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-061645
CC(C)c1nccn1[C@H](C)C(=O)NCc1nnc2n1CCC2	ZINC22_95352672,PC-id_97186919	302.375	SMJNZEWOIRTWCO-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061646
CC(CC(n1cncc1)C(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_319211509	302.375	RRXCFLHKAYWICE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061647
CC(C)n1nc(CN(C)C)c2c1CN(C(=O)c1cc[nH]n1)C2	ZINC22_1565553886,EMOLS-id_313734359	302.375	GDPFWVQMMVWXKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061648
CC(C)/N=C(/NCc1ccco1)NCc1nnc2n1CCC2	ZINC22_95405055,PC-id_75375089	302.375	NQARTPNWWWIPBK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-061649
CC(COc1cncc(n1)NC(c1nnc2n1CCC2)C)C	EMOLS-id_318277358	302.375	AHMHXAKJAUQKCS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061650
CCNC(=NCc1nnc2n1CCC2)NCCc1ccco1	PC-id_111020445	302.375	SIYBJKJUASTTKF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-061651
CN(C1Cn2c(C1)cc(n2)C(=O)NCCn1ccnc1C)C	MCULE-4877883717	302.375	SQIRRSPMMLTCRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061652
CN(Cc1nn(c2c1CN(C2)C(=O)c1cnc[nH]1)C(C)C)C	PC-id_97405361	302.375	WSARYBLZZAYVOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061653
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCCn1ccnc1C	EMOLS-id_316339025,MCULE-9770928184	302.375	SQIRRSPMMLTCRF-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061654
CN(CCn1nccc1C(=O)NC1CC(n2c1ncc2)C)C	MCULE-6885893241,EMOLS-id_316565334	302.375	IABZZEYJXGXPJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061655
O=C(NC1CC(n2c1ncc2)C)Nc1nn(c(c1)C)C(C)C	MCULE-6941627224,EMOLS-id_102004206	302.375	MJHMGGAOIAKVEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061656
CC(C)c1nc(NCc2nnc3n2CCC3)nc(N(C)C)n1	MCULE-5824569939,PC-id_75514640,EMOLS-id_49335599,ZINC22_97032329	302.378	UVIPSEWHDDEXQV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061657
n12N=C(C(C)(C)C)C(=NNC3=NCCN3)c1nnc2C(C)C	PC-id_59702994	302.378	USHSDNGLKVGGII-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-061658
COc1ccc(CCOC(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_2840912,EMOLS-id_43696758,ZINC22_7779563,MCULE-7931677287,PC-id_8893378	302.388	YYYVSFDIIHRRSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061659
COCCOc1ccccc1C(=O)c1sc2c(c1)CCC2	PC-id_115799981	302.388	YEJXJSBNNMQDIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061660
COC(=O)CCc1ccc(cc1)OC1CCc2c1ccs2	PC-id_67145790,SCHEMBL1744977	302.388	MYGKBYUDPITACA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061661
s1c2CCCc2cc1C(=O)c1c(cc(OC)c(OC)c1)C	PC-id_43626590	302.388	NVYZNNHMLITRCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061662
s1c2CCCc2cc1C(=O)Cc1cc(OC)c(OC)cc1	PC-id_61053859	302.388	YERBNJKHMUJJQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061663
CC1CC(c2n1ncn2)NC(C(C)(C)C)c1ccc(cc1)F	EMOLS-id_318712070,MCULE-7130930828	302.39	LXORSYIVWVEJNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061664
CN(C(c1cccc(c1)F)CNCc1cnc2n1CCC2)C	EMOLS-id_318228008	302.39	YLWMGGCXUUAWAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061665
CN(CC(c1ccc(cc1)F)NCc1cnc2n1CCC2)C	EMOLS-id_318170113	302.39	YPHNLTDWGLDOPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061666
Fc1cccc(c1)C(C(C)(C)C)NC1CC(n2c1ncn2)C	MCULE-1279647090,EMOLS-id_318479428	302.39	GSDWDQYKRXWYCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061667
Fc1ccc(c(c1)N(C)C)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318366783,MCULE-9506361233	302.39	VIMAQUWGBRCOTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061668
c12CN(Cc1sc(N)c2C(=O)OCC)Cc1ccccc1	EMOLS-id_45814551,PC-id_71777881,MCULE-5408453460	302.391	JUICILDVCSVKOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061669
c1(c2CCCc2sc1N)C(=O)Nc1ccccc1OCC	MCULE-3297606190,PC-id_724270,CK1572984,ZINC22_130388,EMOLS-id_2254718,CoCoCo_735457	302.391	WDBZEXWBSYLYNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061670
c1ccc(c(c1)C1OCCO1)CNc1sc2c(n1)CCC2	EMOLS-id_318578764,MCULE-1833252491	302.391	WSELPTSAOATTQV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-061671
c1cc(CNc2sc3c(n2)CCC3)cc(c1)C1OCCO1	MCULE-1231706024,EMOLS-id_318535687	302.391	DUPPIZUNKXPCBB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-061672
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)n1	EMOLS-id_334663385,MCULE-8676477199	302.391	UWCGWRISWBTDIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061673
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)n1	MCULE-7972403123,EMOLS-id_181473994,PC-id_26723296	302.391	NSYIWXFVWVIPRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061674
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)n1	PC-id_26723127,EMOLS-id_334661846,MCULE-5218449898	302.391	ZYPZTHVGJPYTNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061675
CC1=CC(=CCC1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_143029513	302.391	LAYMGYQMCYJYIQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-061676
Cc1ccc(cc1)OC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_45837186,EMOLS-id_18813253,MCULE-2153232441	302.391	LSDDYPGCBZDXHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061677
Cc1cccc(c1)O[C@@H](C(=O)Nc1sc2c(n1)CCC2)C	CoCoCo_4164197,PC-id_32361390	302.391	XRMMIOSBMYUWFL-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061678
Cc1cccc(c1)O[C@H](C(=O)Nc1sc2c(n1)CCC2)C	CoCoCo_4164198,PC-id_32361398	302.391	XRMMIOSBMYUWFL-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-061679
Cc1cc(C)c(CNC(=O)c2cc3c(s2)CCC3)c(=O)[nH]1	PC-id_8243732,EMOLS-id_42936227,MCULE-3996697865,ZINC22_7118154	302.391	PGOYYRZABBZBNA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061680
Cc1ccc(C)c(OCC(=O)Nc2nc3CCCc3s2)c1	MCULE-7345709908,EMOLS-id_33336636,PC-id_33039713,ZINC22_25768048	302.391	KTUBRAKEGMSBJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061681
Cc1cc(C)cc(OCC(=O)Nc2nc3c(s2)CCC3)c1	PC-id_24239804,MCULE-4467688987,CoCoCo_4164107,EMOLS-id_17184945,ZINC22_12808221	302.391	CBSZWTLBSPYNCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061682
Cc1ccc([C@H](O)CNC(=O)c2nc3c(s2)CCC3)cc1	MCULE-2411622852,EMOLS-id_316914574,ZINC22_841407636	302.391	WPLUASWAGOFLQA-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061683
Cc1cccc(OCC(=O)Nc2nc3CCCc3s2)c1C	PC-id_25572241,CoCoCo_4164170,EMOLS-id_24123330,MCULE-3699536508,ZINC22_12879044	302.391	XXXDPVHOCSGPNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061684
Cc1cc(C)c(OCC(=O)Nc2sc3c(CCC3)n2)cc1	MCULE-7167576096,ZINC22_13024231,PC-id_25677064,CoCoCo_4164215,EMOLS-id_24132094	302.391	RZXNBJUUEQUNTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061685
Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1	ZINC22_30232245	302.391	KAHPNBPSRJXSNQ-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061686
Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1	ZINC22_30232246	302.391	KAHPNBPSRJXSNQ-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061687
Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)on1	PC-id_95580211,ZINC22_71820950	302.391	KNMOYCIFRSDFDB-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061688
Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)on1	ZINC22_71820951,PC-id_95580212	302.391	KNMOYCIFRSDFDB-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061689
Cc1ccc(O[C@H](C)C(=O)Nc2nc3c(s2)CCC3)cc1	PC-id_25587626,CoCoCo_4164191,ZINC22_12899723	302.391	LSDDYPGCBZDXHZ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061690
Cc1ccc(O[C@@H](C)C(=O)Nc2nc3c(s2)CCC3)cc1	PC-id_25587633,ZINC22_12899730,CoCoCo_4164192	302.391	LSDDYPGCBZDXHZ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-061691
Cc1noc(c1)C1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_36927637,PC-id_56817842,MCULE-9227437828	302.391	KNMOYCIFRSDFDB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061692
Cc1onc(c1)C1CCCN1C(=O)c1sc2c(c1)CCC2	PC-id_56811401,MCULE-6840342085,EMOLS-id_36911387	302.391	KAHPNBPSRJXSNQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061693
CCc1ccccc1CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288892	302.391	SEYVZWQGEBKSED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061694
CCc1ccc(cc1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_106900911	302.391	YQDNCFIHRKXCAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061695
CCc1ccc(cc1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288259	302.391	BAKICPVUMDYMPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061696
CCc1cccc(c1Nc1sc2c(n1)C(CC2)C(=O)O)C	PC-id_104287489	302.391	ZZKRJLQXVBMKGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061697
CCc1cccc(OCC(=O)Nc2nc3CCCc3s2)c1	CoCoCo_4164152,PC-id_25612909,ZINC22_12929647,EMOLS-id_43971872,MCULE-2171339724	302.391	LXNMWYLYDOYSAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061698
CCc1ccc(OCC(=O)Nc2nc3CCCc3s2)cc1	MCULE-7392271871,EMOLS-id_24121944,PC-id_25577530,CoCoCo_4164120,ZINC22_12886571	302.391	DPVQNHHQJMNOAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061699
CCCc1ccc(cc1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287865	302.391	ZUUULZKSLGKKKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061700
CCCc1ccccc1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288371	302.391	LIIPANSCQGNNNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061701
CCC(c1ccccc1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288546	302.391	PADGVECWEQRZOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061702
CC(C)Oc1ccc(cc1)C(=O)Nc1nc2CCCc2s1	PC-id_25578886,MCULE-2896529987,CoCoCo_4164146,EMOLS-id_24121696,ZINC22_12888337	302.391	MOJAWDXPYMURMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061703
CCCOc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	EMOLS-id_24128672,PC-id_25557981,CoCoCo_4164190,ZINC22_12859167,MCULE-3287140851	302.391	YPMCPYBZXFBFST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061704
CC(C(=O)Nc1sc2c(n1)CCC2)OCc1ccccc1	EMOLS-id_31891117,PC-id_45884180,MCULE-1615392686	302.391	XZWDDXYOSRXKKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061705
C[C@H]1C[C@@H](OC(=O)CCSc2ccccc2)c2nccn12	ZINC22_585136166	302.391	UNOWNAGWGPVRKM-GXTWGEPZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061706
C[C@H]1C[C@H](OC(=O)CCSc2ccccc2)c2nccn12	ZINC22_585136167	302.391	UNOWNAGWGPVRKM-JSGCOSHPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061707
C[C@@H]1C[C@H](OC(=O)CCSc2ccccc2)c2nccn12	ZINC22_585136168	302.391	UNOWNAGWGPVRKM-OCCSQVGLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061708
C[C@@H]1C[C@@H](OC(=O)CCSc2ccccc2)c2nccn12	ZINC22_585136169	302.391	UNOWNAGWGPVRKM-TZMCWYRMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061709
C[C@@H](OCc1ccccc1)C(=O)Nc1nc2c(s1)CCC2	PC-id_38039198,CoCoCo_4860872,ZINC22_30891367	302.391	XZWDDXYOSRXKKM-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061710
C[C@H](OCc1ccccc1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_30891370,PC-id_38039201,CoCoCo_4860873	302.391	XZWDDXYOSRXKKM-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-061711
CCN(c1ccccc1C)c1nc2c(s1)CCC2C(=O)O	PC-id_104287754	302.391	SMDLLBAZHGQYQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061712
CCN(c1cccc(c1)C)c1nc2c(s1)CCC2C(=O)O	PC-id_104288070	302.391	SBHWBAOIDCKBSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061713
CCN(c1nc2c(s1)CCC2C(=O)O)c1ccc(cc1)C	PC-id_104288199	302.391	CQTBXASCOLJMQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061714
CCN(c1nc2c(s1)CCC2C(=O)O)Cc1ccccc1	PC-id_104287779	302.391	LZOLWKRIBTZVPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061715
CC(Nc1nc2c(s1)CCC2C(=O)O)Cc1ccccc1	PC-id_104288663	302.391	LINXIVMTRCNJKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061716
CCOc1ccc(CC(=O)Nc2nc3CCCc3s2)cc1	PC-id_33039055,EMOLS-id_31889154,ZINC22_25767382,MCULE-3664148688,CoCoCo_4164164	302.391	KAPUJRPTFBOZIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061717
CCOc1ccc(NC(=O)c2c(N)sc3c2CCC3)cc1	ZINC22_127206,PC-id_722805,MCULE-8416343944	302.391	UEEIPZMLRDMEJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061718
CCOc1ncccc1CNC(=O)c1cc2c(s1)CCC2	PC-id_37487375,EMOLS-id_24958949,CoCoCo_4780318,MCULE-1818526788,ZINC22_30308440	302.391	XOQYIUQUZRMZIT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061719
CCOC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)C	PC-id_104287653	302.391	ROMFGBIPDJBUNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061720
CCOC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)C	PC-id_104287665	302.391	JOTHXIXWLQAXLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061721
CCOC(=O)C1CCc2c1nc(s2)Nc1ccccc1C	PC-id_104287681	302.391	GOWNWZANPLAKJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061722
CCOC(=O)C1CCc2c1nc(s2)N(c1ccccc1)C	PC-id_104287730	302.391	NPNYNQPWVKOFLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061723
CCOC(=O)C1CCc2c1nc(s2)NCc1ccccc1	PC-id_104287505	302.391	ZNDFDHYTLIEGQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061724
CNc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)OC	SCHEMBL20353853,PC-id_135200277	302.391	LJVZHAIBZADFAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061725
COc1ccc(cc1C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318581362	302.391	WZGYVAZPBHFWNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061726
COc1cc(ccc1C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318654774	302.391	QAZVTYAOSVZMHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061727
COc1cccc(c1C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318663835	302.391	HZWYPXOQWHSZNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061728
COc1ccc(c(c1)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318713974	302.391	SKJPBGCJINWRCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061729
COc1cccc(c1C(=O)NCc1sc2c(n1)CCC2)C	EMOLS-id_318499010	302.391	XPVLTXPGIYNPJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061730
COc1cc(ccc1N)C(=O)NCc1sc2c(c1)CCC2	PC-id_104782685	302.391	QGVODEYEIVQICN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061731
COc1cc(C)ccc1C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318617508	302.391	GRWXQAFMDHZVDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061732
COc1cccc(CCC(=O)Nc2nc3c(s2)CCC3)c1	EMOLS-id_31889424,CoCoCo_4374376,ZINC22_25769190,PC-id_33040895,MCULE-3640942457	302.391	CBVIEBNCNFVANY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061733
COc1ccc(CCNC(=O)c2cc3c(s2)CCC3)cn1	MCULE-4865531699,ZINC22_529887683,EMOLS-id_320387947	302.391	MNUGNNZJRJDMAN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061734
COc1cc(CC(=O)Nc2nc3c(s2)CCC3)ccc1C	EMOLS-id_24138100,CoCoCo_4374374,PC-id_41527498,ZINC22_10508856,MCULE-9634832760	302.391	RQMHHALOMAJSSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061735
COc1c(N)cccc1C(=O)NCc1sc2c(c1)CCC2	PC-id_104204881	302.391	DZCOXZDNMGIUDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061736
COCCC(=O)c1cc2c(s1)CCN2Cc1cnccc1	PC-id_134690275	302.391	TVIJPPOQMVBNKQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061737
NCCOc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_104208841,EMOLS-id_302222018,MCULE-7706795635	302.391	GRZRVFYSSJJHOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061738
NC(=O)c1c(NCCOc2ccccc2)sc2c1CCC2	CoCoCo_6774958	302.391	PDETUXJPRAMXAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061739
O=C(c1occ2c1CCC2)NC1(CCCC1)c1nccs1	EMOLS-id_318694673	302.391	CONFGSQYIUNZTH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061740
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)c1ocnc1	EMOLS-id_319501965	302.391	MVIHUMVCVCPANE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061741
O=C(c1sc2c(c1)CCC2)NCc1ccc(n(c1=O)C)C	EMOLS-id_318602659	302.391	QOSKQMYHGNSMNK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061742
O=C(C(Cc1ccccc1)N)NC1C(O)Cc2c1ccs2	SCHEMBL3531909,PC-id_68679054	302.391	LRMDPFFRFIJUHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061743
O=C(CCCOc1ccccc1)Nc1nc2CCCc2s1	ZINC22_6597870,CoCoCo_4164140,PC-id_4532995,EMOLS-id_11914943,MCULE-7937632613	302.391	UBFREGNCSHTDCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061744
O=C([C@H](Cc1ccccc1)N)N[C@H]1[C@@H](O)Cc2c1ccs2	PC-id_59511548,SCHEMBL8261956	302.391	LRMDPFFRFIJUHY-KCQAQPDRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061745
O=C([C@H](Cc1ccccc1)N)N[C@@H]1[C@H](O)Cc2c1ccs2	PC-id_59511561,SCHEMBL8261959	302.391	LRMDPFFRFIJUHY-GUTXKFCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061746
OCCN(C(=O)c1sc2c(c1)CCC2)Cc1cccnc1	PC-id_112366394	302.391	JAZDUTBEHNCERA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061747
OC(=O)C1CCc2c1nc(s2)Nc1ccccc1C(C)C	PC-id_104287528	302.391	OBTXEXBOYXFBTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061748
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)C(C)C	PC-id_104287548	302.391	ZZBSNAKODLYFOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061749
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)C(C)C	PC-id_104287694	302.391	VWAFINMBOFZGMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061750
OC(=O)C1CCc2c1nc(s2)N(c1ccc(cc1C)C)C	PC-id_104288305	302.391	ZUCQXZGNZITEOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061751
OC(=O)C1CCc2c1nc(s2)Nc1c(C)cc(cc1C)C	PC-id_104287486	302.391	BIKXPGSNTVCRIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061752
OC(=O)C1CCc2c1nc(s2)N(c1cc(C)cc(c1)C)C	PC-id_104288337	302.391	KTTXKYYZDWZITF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061753
OC(=O)C1CCc2c1nc(s2)N(Cc1ccc(cc1)C)C	PC-id_104287773	302.391	XWFVEXPHBDGEAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061754
OC(=O)C1CCc2c1nc(s2)NC(c1ccc(cc1)C)C	PC-id_104288368	302.391	TTYJQPJZZOIOJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061755
OC(=O)C1CCc2c1nc(s2)N(Cc1ccccc1C)C	PC-id_104288372	302.391	UVBCPYXRZILOOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061756
OC(=O)C1CCc2c1nc(s2)NC(c1ccccc1C)C	PC-id_104288373	302.391	CIEGEQSBBMZRTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061757
OC(=O)C1CCc2c1nc(s2)N(Cc1cccc(c1)C)C	PC-id_104288535	302.391	NDYNHADMPCIOGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061758
OC(=O)C1CCc2c1nc(s2)NCCc1cccc(c1)C	PC-id_104288543	302.391	CTCPPTQSXCLHIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061759
OC(=O)C1CCc2c1nc(s2)N(CCc1ccccc1)C	PC-id_104288854	302.391	UFNXUWBLKKEBNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061760
OC(=O)C1CCc2c1nc(s2)NCCc1ccccc1C	PC-id_104289042	302.391	NQSXAQJIYYJDRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061761
OC(=O)C1CCc2c1nc(s2)NCC(c1ccccc1)C	PC-id_104592490	302.391	HQDSFTITQNKTEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061762
OC(=O)C1CCc2c1nc(s2)NCCCc1ccccc1	PC-id_104288041	302.391	QHDZCKLMMYYMFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061763
O=C(OC1CC(n2c1ncc2)C)CCSc1ccccc1	MCULE-9139599674,EMOLS-id_177325430	302.391	UNOWNAGWGPVRKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061764
s1c2CCCc2cc1CNc1ncc(cc1)C(=O)OCC	PC-id_61208385	302.391	IMFSUXVSJPTSLX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061765
s1c2CCCc2cc1CNc1ncccc1C(=O)OCC	PC-id_61208577	302.391	WKBSNPKPNYUDDF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061766
s1c2CCCc2cc1CNc1nc(c(cc1)C(=O)OC)C	PC-id_81852893	302.391	CPVLOAUDSMBWDA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061767
s1c2c(CCC2)cc1CNC(c1ccc([N+](=O)[O-])cc1)C	PC-id_61206837	302.391	ADVGJSVMMLIVAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061768
s1c2c(CCC2)cc1CNCc1c(c([N+](=O)[O-])ccc1)C	PC-id_61206683	302.391	IMBUKFPVGAVDLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061769
s1c2c(CCC2)cc1CNCc1cc([N+](=O)[O-])c(cc1)C	PC-id_61206844	302.391	KLQGGKNDSZKVHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061770
s1c2c(CCC2)cc1CNC(c1cc([N+](=O)[O-])ccc1)C	PC-id_61208551	302.391	QNADAOINGRJOKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061771
s1c2c(CCC2)cc1CNC(c1c([N+](=O)[O-])cccc1)C	PC-id_61209326	302.391	SKLZSGFEXVZBGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061772
s1c2CCCc2cc1CNCc1ncc(cc1)C(=O)OC	PC-id_80147638	302.391	FSSLAGXPCLUTPW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061773
s1c2c(CCC2)cc1C(NC)Cc1ccc([N+](=O)[O-])cc1	PC-id_61066071	302.391	NCAHWZINXDZVHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061774
s1c2c(CCC2)cc1CNCCc1ccc([N+](=O)[O-])cc1	PC-id_61206684	302.391	YEKSLRHZHMVKRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061775
s1c2c(CCC2)cc1C(NC)Cc1c([N+](=O)[O-])cccc1	PC-id_61080243	302.391	PBRANSMAAAPTHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061776
s1c2c(CCC2)cc1CNCCc1c([N+](=O)[O-])cccc1	PC-id_63062612	302.391	LONQKBKNBJXPQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061777
s1c2CCCc2cc1CNC(=O)c1cc(N)cc(OC)c1	PC-id_81093643	302.391	HPFQBPKXBFWNEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061778
s1c2CCCc2cc1CNC(=O)c1cc(N)c(OC)cc1	PC-id_61208144	302.391	DSOYIEXAOFFNHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061779
s1c2CCCc2cc1CNC(=O)c1c(N)cccc1OC	PC-id_81395780	302.391	LIDBUCSRQWDTRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061780
s1c2CCCc2cc1CNC(=O)c1c(N)ccc(OC)c1	PC-id_61209495	302.391	ZSTOJNLIBVEDOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061781
s1c2CCCc2cc1CNC(=O)c1c(N)c(OC)ccc1	PC-id_65633130	302.391	FPNBKEAVDFHCHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061782
s1c2CCCc2cc1CNC(=O)c1c(OC)ccc(N)c1	PC-id_61206636	302.391	IJCVVFUMLXMLRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061783
s1c2CCCc2cc1CNC(=O)c1c(OC)cc(N)cc1	PC-id_81680750	302.391	BUMZAGWGLLTXJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061784
s1c2CCCc2cc1CNC(=O)COc1ccc(N)cc1	PC-id_61206822	302.391	NOXVWPCVXGSZOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061785
s1c2CCCc2cc1CNC(=O)COc1cc(N)ccc1	PC-id_61207011	302.391	JAZVVNSSAOWJDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061786
s1c2CCCc2cc1CNC(=O)COc1c(N)cccc1	PC-id_61207755	302.391	FDDBTQYDTISEIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061787
s1c2CCCc2cc1C(=O)Nc1cc(OCCN)ccc1	PC-id_63121248	302.391	CQPCWBZLPYQNNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061788
s1c2CCCc2cc1C(=O)NCC1C(=CC(=NC1=O)C)C	PC-id_78640646	302.391	FJFAUVSQHOCWKE-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-061789
s1c2CCCc2cc1C(=O)NCc1cc(N)c(OC)cc1	PC-id_60972604	302.391	DMUIEGABGLTBIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061790
s1c2CCCc2cc1C(=O)NCc1c(OC)ccc(N)c1	PC-id_61013963	302.391	YKNFPZLHTSYAKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061791
s1c2CCCc2cc1C(=O)NCC(O)c1ccc(N)cc1	PC-id_43461451	302.391	HCJFZXHWBTXCBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061792
s1c2CCCc2cc1C(=O)NCCOc1ccc(N)cc1	PC-id_61031482	302.391	XHWFCUJIZHKHLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061793
s1c2CCCc2cc1C(=O)NCCOc1cc(N)ccc1	PC-id_61032004	302.391	GLJOBNZHGYGKON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061794
s1c2CCCc2cc1C(=O)N(CCO)c1c(N)cccc1	PC-id_43547857	302.391	XCFNQHHJCFTRHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061795
s1c2CCCc2cc1C(=O)NCCOc1c(N)cccc1	PC-id_61031240	302.391	IFTGMAHERZPHPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061796
s1c2CCCc2cc1C(=O)NN=C(c1c(oc(c1)C)C)C	PC-id_85015410	302.391	SQIXAYVNHHHMEV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-061797
s1c2CCCc2cc1C(=O)N/N=C(c1c(oc(c1)C)C)/C	PC-id_9462284	302.391	SQIXAYVNHHHMEV-YVLHZVERSA-N	00000010101000000000000010000000000000000000000000000000	25-01-061798
s1c2c(CCC2)c(c1N)C(=O)NCc1ccc(OC)cc1	PC-id_20109783	302.391	YNGMORBSNZHJRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061799
s1c2c(CCC2)c(c1N)C(=O)NCc1c(OC)cccc1	PC-id_20109782	302.391	IJSBJQNIIBBMCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061800
s1c2CCCc2nc1NC(=O)Cc1cc(c(OC)cc1)C	PC-id_16848110	302.391	QJQPPWJHLHPTHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061801
s1c2CCCc2nc1NC(=O)Cc1c(OC)ccc(c1)C	PC-id_16912092	302.391	JBTNLEQDIOOSSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061802
s1c2CCCc2nc1NC(=O)CCc1ccc(OC)cc1	PC-id_26723204	302.391	XHWFZKCGSWJWAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061803
s1c2CCCc2nc1NC(=O)CCc1c(OC)cccc1	PC-id_26723303	302.391	OAIMEWWOMXVRGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061804
s1c2CCCc2nc1NC(=O)C(Oc1cc(ccc1)C)C	PC-id_24242371	302.391	XRMMIOSBMYUWFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061805
s1c2CCCc2nc1NC(=O)C(Oc1ccccc1)CC	PC-id_4104939	302.391	KFOAGAVWZLHULC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061806
S1Cc2c(noc2NC(=O)c2ccc(C(C)(C)C)cc2)C1	PC-id_49719033	302.391	QOVNLJRTZCNYBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061807
c1ccc(cc1)/C=c/1sc(=Nc2ccccc2)n2c1ccc2	PC-id_141474091	302.393	KXFRHNKUSLPQFU-GTJFIYPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-061808
c12CN(Cc1sc(N)n2)C(C)C(=O)NCc1ccccc1	PC-id_82194308,MCULE-7054806588	302.395	PPLHHPBTKVFDRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061809
c12CN(Cc1sc(N)n2)CC(=O)Nc1cccc(C)c1C	PC-id_82194245,MCULE-1477590902	302.395	BGHZEIZVGSTOKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061810
c1(c2CCCc2[nH]n1)C(=O)N1CCCCC1c1sccn1	MCULE-2065182496,PC-id_77081386,EMOLS-id_49871344	302.395	LZMCNJMMWAPJBT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061811
C1Cc2c(C1)sc(c2)CNCc1cc(ncc1)/C(=NO)/N	PC-id_136208628	302.395	LPNBVSKGFVUYER-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061812
C1Cc2c(C1)sc(c2)CNCc1c(nccc1)/C(=NO)/N	PC-id_136208665	302.395	NANYXJWSHPYGMS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061813
c1(CN(C)C(=O)CSc2ccncc2)c2CCCc2[nH]n1	ZINC22_223556972,PC-id_91794336,EMOLS-id_55701636,MCULE-2664610244	302.395	HHLGANIYQOQAJK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061814
c1(C(=O)NCCc2sc3c(CCC3)n2)c2CCCc2[nH]n1	EMOLS-id_49899463,MCULE-9996752143,ZINC22_216474980,PC-id_77097580	302.395	JVMQPRZLTLFFFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061815
c1(NC(=O)c2ccc(cc2)N(C)C)n(C)nc2CSCc12	MCULE-5489427055,EMOLS-id_334568370	302.395	ABHUCCFZWIOIGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061816
Cc1ccc(/C=C/C(=O)N[C@@H](C)c2nnc3n2CCC3)s1	PC-id_94177428,ZINC22_48285597	302.395	WYJRSMDKJKIVDH-AEZGRPFRSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061817
Cc1ccc(/C=C/C(=O)N[C@H](C)c2nnc3n2CCC3)s1	PC-id_94177429,ZINC22_48285598	302.395	WYJRSMDKJKIVDH-WSKFYRRCSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061818
Cc1cccc(n1)CN(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318526816	302.395	XUXOAOABPZBZPP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061819
Cc1ccc(nc1)CN(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318567489	302.395	MPRZSKARXHPXTM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061820
Cc1cnc(s1)C(C1CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99667661	302.395	LTOLEYCOGMOXOA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061821
Cc1csc(N(C(=O)c2c3c(nn2C)CCC3)C2CC2)n1	MCULE-3050313199,PC-id_136561118,EMOLS-id_316996469,ZINC22_906870347	302.395	IKLIZUNORBMYBC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061822
Cc1ncc(c(n1)C(C)C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318592979	302.395	ATIZUDLEETWJQM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061823
Cc1ncc(c(n1)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181794	302.395	GVEXGRWBYMJXAS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061824
Cc1[nH]nc(n1)C1CCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_101670743	302.395	PQJAQUYJTZVLMY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061825
Cc1[nH]nc(n1)[C@H]1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_319260590	302.395	LPNIOVKSQQWZCM-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061826
Cc1[nH]nc(n1)[C@@H]1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_319767071	302.395	LPNIOVKSQQWZCM-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-061827
CCc1nc(C)c(c(n1)C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318728234	302.395	VMDMLZRWVDCDLU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061828
CC(c1ncc(c(n1)C)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318388354	302.395	IHRGDHUAIYJUEA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061829
CCc1ncncc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318727011	302.395	CLASDFAHPLNWQR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061830
CCc1nc(NC)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104146599	302.395	CQXVNYBQFKGMKV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061831
CCCc1nc(N)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104146601	302.395	ZVAZFUMUJMOBAF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061832
CCCNc1ccc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104640911	302.395	VHTLTVWCFSDCCD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061833
CCCNc1cnccc1C(=O)Nc1sc2c(n1)CCC2	PC-id_105069513	302.395	QXZIJQYFNCVFSO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061834
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nnc2n1CCC2	PC-id_94819989,ZINC22_58357253	302.395	SUKHUSACVFCGNX-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061835
C[C@H](NC(=O)c1cc2c(s1)CCC2)c1nnc2n1CCC2	ZINC22_58357252,PC-id_94819988	302.395	SUKHUSACVFCGNX-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-061836
CCNc1nc(C)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104126933	302.395	DBHCXNFHZVBSKV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061837
CCSCc1ccc(NC(=O)N2CCn3ccnc23)cc1	ZINC22_603030581,EMOLS-id_316942440,MCULE-4031812014,PC-id_136559197	302.395	UDMJBPBFFQUGTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061838
Cn1cc(c(n1)C1CCC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318518991	302.395	VOCCAKWPHCFBCR-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061839
CN(c1ccc(cn1)NCc1sc2c(n1)CCC2)C(=O)C	MCULE-5329205583,EMOLS-id_318138012	302.395	BDSJGVFUAKWENI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061840
CNc1ccc(nc1)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318915961	302.395	CZGFCSXUKSYVOT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061841
CN(Cc1nnc2n1CCC2)C(=O)c1cc2c(s1)CCC2	MCULE-2859524062,ZINC22_65415439,PC-id_53502784,EMOLS-id_35706496	302.395	XIOMFTCKJGVTJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061842
CSCCc1ccc(cc1)NC(=O)N1CCn2c1ncc2	EMOLS-id_318753483	302.395	QRJVHRRDOXUCJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061843
CSCCc1ccccc1NC(=O)N1CCn2ccnc12	PC-id_136559216,ZINC22_603072479,MCULE-2973726109,EMOLS-id_316941933	302.395	FEJBPLHNLXOPID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061844
n1(CC(=O)NCCc2ccccc2)nc2c(CSC2)c1N	PC-id_33677845,ZINC22_26422021,CoCoCo_5090357,MCULE-7248676076,EMOLS-id_27513017	302.395	GYPQLHGJERFMOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061845
Nc1cc(cc(n1)C(C)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_104146602	302.395	ROPYAAVDJDXPBE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061846
O=C1C(CCN1c1cnn(c1)C)NC1CCc2c1scc2	MCULE-9990387820,EMOLS-id_318402985	302.395	CPVNJVWYKYCCEG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061847
O=C(c1cc2n(n1)CCC2)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183555	302.395	SUMWADYSJNWQMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061848
O=C(c1ccc(cc1)C(C)(C)C)Nc1nnc2n1CCS2	CoCoCo_2590477,PC-id_16031344,ChEMBL-DNDi_CHEMBLF2079-0037,BindingDB_PC-id_16031344	302.395	VNFVQSRTHCEODA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061849
O=C(c1ccc(nc1)NCc1sc2c(n1)CCC2)N(C)C	MCULE-6288488154,EMOLS-id_318695722	302.395	IRVCVWJMMCEUCR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061850
O=C(c1ccncc1)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030674	302.395	HRPXLGBZIWOUDA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061851
O=C(c1ccn(n1)C1CCCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318554314	302.395	IVPHOESXSVDBPL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061852
O=C(c1ccnn1C1CCCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318671034	302.395	DPDIEIKGRLQVGU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061853
O=C(c1cc(nn1C)C1CCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318619408	302.395	RZFPARFAURTMKI-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061854
O=C(c1cnc2n1CCC2)NC1(CCCC1)c1nccs1	EMOLS-id_318571516	302.395	GFWVJCUDNNRUHF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061855
O=Cc1c(/N=CN(Cc2ncc([nH]2)C)C)sc2c1CCC2	PC-id_145141590	302.395	TZTJHDXYIKVHTL-MFOYZWKCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061856
O=C(c1cnc(s1)CC1CC1)NCc1cnc2n1CCC2	EMOLS-id_319585588	302.395	DPSYUBLAQFNICB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061857
O=C(c1cnn2c1CCC2)NC1(CCCC1)c1nccs1	EMOLS-id_318574169	302.395	LAIZQJKEQDOYSL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061858
O=C(c1cnn(c1)C1CCCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318576992	302.395	MWCKWSKVNDXRDD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061859
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)c1cscc1	EMOLS-id_319583627	302.395	BBPWIFNIKCKFRB-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-061860
O=C(c1nccc(c1)NCc1sc2c(n1)CCC2)N(C)C	MCULE-5370680351,EMOLS-id_318619047	302.395	QJKXOJDGDYRQBD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061861
O=C(c1nn2c(c1)CCC2)NC1(CCCC1)c1nccs1	EMOLS-id_318731523	302.395	WKMHPEWWMAMNOV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061862
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@H]1c1nccs1	PC-id_99928891,ZINC22_215181097	302.395	LZMCNJMMWAPJBT-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061863
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1c1nccs1	ZINC22_215181140,PC-id_99928892	302.395	LZMCNJMMWAPJBT-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061864
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)c1cccs1	EMOLS-id_111259101	302.395	BJZGAJBWSFJFBX-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-061865
O=C(c1n[nH]c2c1CN(Cc1ccsc1)C2)N1CCCC1	ZINC22_96187513,EMOLS-id_44325299,PC-id_97461971	302.395	HXLVUZXHRSWMLA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061866
O=C(c1sc2c(c1)CCC2)NC1CC(C1)Cn1ccnn1	EMOLS-id_318983957	302.395	XBRUQYDVJXASLD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-061867
O=C(c1sc2c(c1)CCC2)NC(c1nnc2n1CCC2)C	MCULE-4100523591,PC-id_51079804,EMOLS-id_33306089	302.395	SUKHUSACVFCGNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061868
O=C(c1sc2c(c1)CCC2)NCc1nnc(n1C)C1CC1	EMOLS-id_98975332	302.395	KZRDIMFWFVPTKD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061869
O=C(c1sc(nc1C)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318679353	302.395	MWUDUSGXIZSLQW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061870
O=C(c1sc(nc1C)C1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_318378441	302.395	QRIBWOLGYZPOHF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061871
O=C(C(c1cnccn1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318653843	302.395	ZBCJUUYTHXKULQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061872
O=C(Cc1csc(n1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318813392	302.395	NTIWWCPXGILRDQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061873
O=C(Cc1scc(n1)C1CC1)NCc1nn2c(c1)CCC2	MCULE-6414414458,EMOLS-id_320173150	302.395	LVLUVSHSQJOAOQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061874
O=C(Cc1scc(n1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320093875,MCULE-9037837061	302.395	ISGVBNOUCYZCPM-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061875
O=C(CCSc1ccccc1)NCc1nnc2n1CCC2	MCULE-5365151151,PC-id_51075167,ZINC22_54904338,EMOLS-id_31870877	302.395	OZMIKUAEDDLNTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061876
O=C(N1CCCC(C1)n1ccnn1)c1sc2c(c1)CCC2	EMOLS-id_102132136	302.395	AFYPVJWKBYYXIL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061877
O=C(N(C(c1ccccn1)C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318728231	302.395	JAQJAANBHSNDMW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061878
O=C(N(C(c1cccnc1)C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318445516	302.395	KJCWXSQWTWKHLH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061879
O=C(N(C(c1ccncc1)C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318569059	302.395	CDQTWHWEESSSCF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061880
O=C(NC(c1nnc2n1CCC2)C)C=Cc1ccc(s1)C	PC-id_72155313,EMOLS-id_31936130,MCULE-1196915654	302.395	WYJRSMDKJKIVDH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061881
O=C(N[C@H](c1nnc2n1CCC2)C)/C=Cc1ccc(s1)C	PC-id_97540200	302.395	WYJRSMDKJKIVDH-TVRMLOFPSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061882
O=C(N[C@@H](c1nnc2n1CCC2)C)/C=Cc1ccc(s1)C	PC-id_97540201	302.395	WYJRSMDKJKIVDH-SKVAFPRGSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061883
s1c2CCCc2cc1CNc1nnc(cc1)C(=O)N(C)C	PC-id_80335717	302.395	HGXKKBHIZPJZPI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061884
s1c2CCCc2cc1CNc1nnc(cc1)C(=O)NCC	PC-id_80335718	302.395	HQYIZRZDDCDGGU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-061885
s1c2c(CCC2)cc1CNCC1=CC=CN/C/1=C(/N)N=O	PC-id_64336154	302.395	PMPJPLAORWPFFE-PFONDFGASA-N	00000010100011001000000010000000000000000000000000000000	25-01-061886
s1c2c(CCC2)cc1CNCC1=C/C(=C(/N)N=O)/NC=C1	PC-id_64335744	302.395	OQZSUDLJNSRZIP-FYWRMAATSA-N	00000010100011001000000010000000000000000000000000000000	25-01-061887
s1c2c(CCC2)cc1CNCC1C(=C(N)N=O)N=CC=C1	PC-id_77030916	302.395	UZWUHQGLNFRKBZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-061888
s1c2c(CCC2)cc1CNC(=O)c1n[nH]c(C2CC2)c1N	PC-id_62078281	302.395	KJJULQMJKBMTOW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-061889
s1c2CCCc2nc1NC(=O)c1ccc(NCCC)nc1	PC-id_62178627	302.395	LBCRBKZAXUGDLU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061890
s1c2CCCc2nc1NC(=O)c1cc(NCCC)ncc1	PC-id_62178983	302.395	OUZGSAVRIKWHRL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061891
s1c2CCCc2nc1NC(=O)c1cc(N)c(N(C)C)cc1	PC-id_61507288	302.395	NFLADNVMKPOWDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061892
s1c2CCCc2nc1NC(=O)c1c(N(C)C)ccc(N)c1	PC-id_61507289	302.395	DBYSVJQYQKHVCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061893
s1c2CCCc2nc1NC(=O)c1c(NCCC)ccnc1	PC-id_81238461	302.395	CCWILIMKVUYOOR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061894
s1c2CCCc2nc1NC(=O)c1c(NCC)cc(nc1)C	PC-id_81238462	302.395	WLKKYVSRQDPNHI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061895
s1c2CCCc2nc1NC(=O)c1c(NCCC)nccc1	PC-id_62178449	302.395	PMHVQCOUEPMSOC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061896
s1c2CCCc2nc1NC(=O)c1nccc(NCCC)c1	PC-id_62178270	302.395	FESXDFYVMOVXSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061897
s1c2CCCc2nc1NC(=O)c1nc(NCCC)ccc1	PC-id_62240875	302.395	XUYUBTFOXPVDIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-061898
s1c2CCCc2nc1NC(=O)Nc1ccc(C(N)C)cc1	PC-id_61510311	302.395	OOEGDTSULHLWKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061899
s1c2CCCc2nc1NC(=O)Nc1cc(C(N)C)ccc1	PC-id_61510310	302.395	KUCUGXOGASQCBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061900
s1c2CN(Cc2nc1N)C(C)C(=O)Nc1c(cccc1)C	PC-id_82194280	302.395	NMADCRXNGBDDDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061901
s1c2CN(Cc2nc1N)C(C)C(=O)Nc1ccc(cc1)C	PC-id_82194328	302.395	NUMUSBXPPZQALV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061902
s1c2CN(Cc2nc1N)CC(=O)Nc1cc(c(cc1)C)C	PC-id_82194309	302.395	BSNQHRLNANPCSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061903
s1c2CN(Cc2nc1N)CC(=O)Nc1c(ccc(c1)C)C	PC-id_82194326	302.395	DDSSHWXANYNYQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061904
s1c2CN(Cc2nc1N)CC(=O)Nc1c(cc(cc1)C)C	PC-id_82194330	302.395	ZOOAOTRWUWOISS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061905
s1c2CN(Cc2nc1N)CC(=O)Nc1cc(cc(c1)C)C	PC-id_82194331	302.395	KDOWJRJVWXBZFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061906
s1c2CN(Cc2nc1N)CC(=O)Nc1c(CC)cccc1	PC-id_82194256	302.395	VELSGGATYKRDSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061907
s1c2CN(Cc2nc1N)CC(=O)Nc1ccc(CC)cc1	PC-id_82194294	302.395	WMHQJKILYHPSDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061908
s1c2CN(Cc2nc1N)CC(=O)N(Cc1ccccc1)C	PC-id_82194297	302.395	OMPQPWZOZGVRMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061909
s1c2CN(Cc2nc1N)CC(=O)NC(c1ccccc1)C	PC-id_82194337	302.395	IZLRKXFZQMMDDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061910
s1c2CN(Cc2nc1N)CC(=O)NCCc1ccccc1	PC-id_82194299	302.395	GZKJYPVRGOFPCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061911
s1c2CN(Cc2nc1N)CC(=O)N(CC)c1ccccc1	PC-id_82194307	302.395	DDMYKBWWSKRNJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061912
s1c(/C=C/C(=O)NC(c2n3CCCc3nn2)C)ccc1C	PC-id_47031193	302.395	WYJRSMDKJKIVDH-BQYQJAHWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-061913
S1CCn2c(NC(=O)CCc3c(cccc3C)C)nnc12	PC-id_73293054	302.395	LYJMTDMQIGWSDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061914
s1c2n(c(CNC(c3n4CCCc4nn3)C)c(n2)C)cc1	PC-id_43791494	302.398	XEPINSFVYDOHQP-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-061915
Cc1ccc(c(c1)C(c1sc2c(n1)CCC2)NC1CC1)F	PC-id_108218996	302.41	SZFBSRXYKCNMOQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-061916
Fc1ccc(cc1)C1(CCC1)NCc1sc2c(n1)CCC2	MCULE-8798244035,EMOLS-id_318279357	302.41	GDOHGIJVBQTXOH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061917
Fc1ccc(c(c1)C(c1sc2c(n1)CCC2)NC1CC1)C	PC-id_108386647	302.41	GHRSLBLTMBXJEH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-061918
Fc1ccccc1[C@@H]1C[C@H](C1)NCc1sc2c(n1)CCC2	EMOLS-id_319960609,MCULE-1298178075	302.41	OKXJMPMMZWMMIY-HAQNSBGRSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061919
Fc1cccc(c1)[C@@H]1C[C@H](C1)NCc1sc2c(n1)CCC2	EMOLS-id_320172051,MCULE-7449173787	302.41	XJFUISFEJBWXQM-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061920
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NCc1sc2c(n1)CCC2	MCULE-8243628930,EMOLS-id_319869573	302.41	AVSGOZLRUGLPEJ-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-061921
s1c(nc2c1CCC2)C(NC1CC1)c1cc(c(F)cc1)C	PC-id_62122095	302.41	FUJZIIMKNOTZEG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-061922
s1c(nc2c1CCC2)C(NC1CC1)c1c(cc(F)cc1)C	PC-id_62134651	302.41	TZJVRFIVINDHJH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-061923
s1c(nc2c1CCC2)C(NC1CC1)c1cc(F)c(cc1)C	PC-id_63647597	302.41	AWBMJVVCGAZNKN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-061924
CC1c2ccsc2S(=O)(=O)N1CCN1CCOCC1	PC-id_19737957,SCHEMBL9596744	302.413	DMKCCONUGDVOJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061925
Cc1sc2c(n1)CN(C2)S(=O)(=O)C[C@H]1OCC[C@H]1C	EMOLS-id_319348194	302.413	JQIRLMGYDYAASP-LDYMZIIASA-N	00000010100000000001000010000000000000000000000000000000	25-01-061926
CC(C)CNC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	ZINC22_96264583,PC-id_97524522	302.413	HIMUCYRFVLZJGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061927
CCCCS(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_6400912,PC-id_35280985,ZINC22_27924590	302.413	RAOUCNLWRNDRMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061928
CCCN(C)S(=O)(=O)/N=C(O)/c1cc2c(s1)CCC2	EMOLS-id_49117512,ZINC22_96482957,PC-id_71967964,MCULE-6235848121	302.413	XXGQDOXCSXOQGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061929
CC(Nc1nc2c(s1)CCC2C(=O)O)CCS(=O)C	PC-id_116251934	302.413	QAAKRDZAMIKFOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061930
CCOC(=O)C1CCc2c1nc(s2)NCCS(=O)C	PC-id_116151715	302.413	TXOPMXHUSPVURB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061931
COC[C@@]1(C[C@@H]1C)S(=O)(=O)N1Cc2c(C1)nc(s2)C	EMOLS-id_318789698	302.413	BRUQTINEQUCWCS-QPUJVOFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061932
CS(=O)C(CCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_116230299	302.413	SAVROAMBGJGNRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061933
CS(=O)(=O)NCCCNC(=O)c1cc2c(s1)CCC2	PC-id_71942871,ZINC22_83987535,EMOLS-id_44494110,MCULE-1915385256	302.413	WTTPOLXPABGQDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061934
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=S)N	STOCK3S-67129,PC-id_899086,CoCoCo_523617,MCULE-4761142100,ZINC22_477125,ChEMBL-DNDi_CHEMBL7921367,EMOLS-id_2036050	302.414	VBVMIWLZGBGVKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061935
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C(=S)N	PC-id_28516835	302.414	DSTMSOVZBQANEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061936
s1c2CCCc2cc1C(=O)Nc1c(cccc1)C(=S)N	PC-id_29036231	302.414	BVWPLVPUGAWIBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061937
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=S)N	PC-id_29793080	302.414	SHIMBERJOKJPHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061938
c1(C(=O)N2CCC(CC2)C2CCNCC2)c2CCCc2[nH]n1	EMOLS-id_324084544,PC-id_146037978,ZINC22_1161216213,MCULE-8041288433	302.415	PZGPIBKFKNRXTA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061939
CC(=CC1C(C1(C)C)C(=O)N(Cc1nnc2n1CCC2)C)C	MCULE-9597783869,EMOLS-id_33306117,PC-id_51079875	302.415	HCPWQKAEFHLHJM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061940
CC(=C[C@@H]1[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C1(C)C)C	PC-id_94824604,ZINC22_58420510	302.415	HCPWQKAEFHLHJM-IUODEOHRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061941
CC(=C[C@@H]1[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C1(C)C)C	PC-id_94824606,ZINC22_58420514	302.415	HCPWQKAEFHLHJM-DOMZBBRYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061942
CC(=C[C@H]1[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C1(C)C)C	ZINC22_58420512,PC-id_94824605	302.415	HCPWQKAEFHLHJM-SWLSCSKDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061943
CC(=C[C@H]1[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C1(C)C)C	ZINC22_58420515,PC-id_94824607	302.415	HCPWQKAEFHLHJM-WFASDCNBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-061944
CCN1CCCC1C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_36955491,PC-id_56779659,MCULE-3556479814	302.415	XEFXRKGZCKPPLB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061945
CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_249699756	302.415	XEFXRKGZCKPPLB-HUUCEWRRSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061946
CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_249700014	302.415	XEFXRKGZCKPPLB-LSDHHAIUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061947
CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_71870465,PC-id_95606296	302.415	XEFXRKGZCKPPLB-CABCVRRESA-N	00000010100000000001100010000000000000000000000000000000	25-01-061948
CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_71870466,PC-id_95606297	302.415	XEFXRKGZCKPPLB-GJZGRUSLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061949
NCC1(CCC1)C1CCCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_319408331	302.415	ZQWCRUOUSVLUAB-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-061950
NCC1(CCC1)C1CCCCN1C(=O)c1nc2n(c1)CCC2	EMOLS-id_318977994	302.415	IVQRFUYDECZZBF-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-061951
O=C1C(CCCN1C1CCCCC1)NC1CCn2c1ncc2	EMOLS-id_101405308	302.415	IZBBQQWAODZNNK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061952
O=C1C(CCN1C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318251365,MCULE-1705666513	302.415	NVBKIMNKVYWQKM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061953
O=C(c1c2c(CCC2)[nH]n1)N1CCC(N2CCCCC2)CC1	MCULE-6009541421,EMOLS-id_98344919	302.415	WPOOWSDFZXOQJY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061954
O=C(C1CN(C1)C1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318961392	302.415	KJNWILQICCYPIJ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-061955
O=C(c1cnn2c1CCC2)NC1CCN(CC1)C1CCCC1	EMOLS-id_101210610	302.415	BPRDZRICSWIRQZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061956
O=C(c1nn2c(c1)CCC2)NC1CCN(CC1)C1CCCC1	EMOLS-id_101210604	302.415	BYDVDTFATOGMRL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061957
O=C(c1n[nH]c2c1CCC2)N1CCCN(C2CCCC2)CC1	EMOLS-id_49909312,MCULE-1655179725,PC-id_86777765,ZINC22_97212569	302.415	MVCFDPNLCLSTQS-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-061958
O=C(c1n[nH]c2c1CCC2)N1CCCN(CC1)CC1CCC1	EMOLS-id_98057036	302.415	FWLFXYNETMIWJK-UHFFFAOYSA-N	00001010100000000101000010000000000000000000000000000000	25-01-061959
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)C1CCCCC1	EMOLS-id_100413917	302.415	YLWUBTBHYHGESO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-061960
O=C(c1n[nH]c2c1CN(C2)CC1CCCCC1)N1CCCC1	PC-id_97461980	302.415	KUXOSKOHAYFUMJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-061961
O=C(N1CC(C1)C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101572893	302.415	MZXMVEIQIKIHTC-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-061962
O=C(N1CCCC1C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101436693	302.415	NHCCJWFICBJIED-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061963
O=C(N1CCC(C1)C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_102012144	302.415	ZKPWJQQWKAZWFL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-061964
O=C(N1CCC(C1)NC1CC(n2c1ncc2)C)C1CCCC1	EMOLS-id_318012820,MCULE-4517347512	302.415	KDZGEVOXLWSIRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061965
O=C(NC1CC(n2c1ncc2)C)NC1CC1C1CCCCC1	EMOLS-id_303430429	302.415	WOBIQIUTOUZKSI-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-061966
O=C(NC1CC(n2c1ncc2)C)NCC1(CCC1)C1CCC1	EMOLS-id_101423076	302.415	GBHJTHIJMSRQHV-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-061967
O=C(NC1CC(n2c1ncc2)C)NC(C1CCC1)C1CCC1	EMOLS-id_101475908	302.415	JLOGODPJFZTLBC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-061968
O=C(NC1CC(n2c1ncc2)C)N[C@@H]1C[C@H]1C1CCCCC1	EMOLS-id_101370448	302.415	WOBIQIUTOUZKSI-PIBLMLOJSA-N	00100010100010000001100010000000000000000000000000000000	25-01-061969
c1(nccn1Cc1cn2c(SCC2)n1)c1sccc1C	ZINC22_71753068,PC-id_56873774,EMOLS-id_43195117,MCULE-5937382988	302.418	VQXXXVFXDQTGPG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-061970
CC(c1cnn(c1C)C(C)(C)C)NCc1nnc2n1CCC2	EMOLS-id_317956289,MCULE-5676179740	302.418	SIFCXLQFPWYVBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061971
CC(C)n1nc(CN(C)C)c2c1CN(Cc1cnn(C)c1)C2	EMOLS-id_46182077,PC-id_97405360,ZINC22_96084534	302.418	CVDFSFVZUPIRKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061972
CC(NC(c1nnn(c1)Cc1nn2c(c1)CCC2)(C)C)(C)C	MCULE-6341685048,EMOLS-id_318580240	302.418	HWXBXCDMEOINFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061973
CN=C(NCc1nnc2n1CCC2)NCCC1=CCCCC1	PC-id_111020255	302.418	GNCWTFIQSKRVFV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-061974
CCCCCCCC(=O)c1c(c2c(s1)CS(=O)C2)F	PC-id_135070633	302.428	CSAGPXVIQWSWEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-061975
Cc1ccc(cc1)C(CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908737	302.434	SKNZISGNWOEZTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061976
Cc1cccc(c1)C(CNC(c1sc2c(n1)CCC2)C)O	PC-id_110017306	302.434	XCXQFZWOCNCYKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061977
CC(c1sc2c(n1)CCC2)NCC(c1ccccc1C)O	PC-id_109908763	302.434	CNQSJWNCIJQETD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061978
CC(c1sc2c(n1)CCC2)NCC(c1ccccc1)(O)C	PC-id_109908768	302.434	QVOYRXCGRWFYBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061979
CC(C(Cc1ccccc1)O)NCc1sc2c(n1)CCC2	PC-id_109948747	302.434	KCIWGQDIRCUNTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061980
CCC(n1ccc(n1)CC(=O)c1sc2c(c1)CCC2)CC	PC-id_114976219	302.434	NGTVSUPZTYISBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-061981
CCCNC(c1ncccc1OC)c1sc2c(c1)CCC2	PC-id_108212797	302.434	PUSUHKQSBUHNMS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061982
CCCNC(c1sc2c(c1)CCC2)c1cncc(c1)OC	PC-id_105025896	302.434	IVRLODMBNCSHRY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061983
CCCOc1ccc(cc1)C(c1sc2c(c1)CCC2)NN	PC-id_105303655	302.434	FYDQPKGSAGXGPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061984
CCCOc1ccccc1C(c1sc2c(c1)CCC2)NN	PC-id_105334379	302.434	TZRUHRZTOSTBDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061985
CCCOc1cncc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_105026693	302.434	RKCMNSWDZPWLAB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061986
CCNC(c1sc2c(c1)CCC2)c1cncc(c1)OCC	PC-id_105026643	302.434	IPJYXVTWRADERP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061987
CN(Cc1nc2c(s1)CCC2)[C@@H](CCO)c1ccccc1	PC-id_97794832,ZINC22_97033950	302.434	UJTBFEOULKNYLX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061988
CN(Cc1nc2c(s1)CCC2)[C@H](CCO)c1ccccc1	ZINC22_97033951,PC-id_97794833	302.434	UJTBFEOULKNYLX-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061989
CNC(c1sc2c(c1)CCC2)c1cncc(c1)OC(C)C	PC-id_105027303	302.434	HIXPOZWOMCKBRC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061990
COc1ccc(cc1)CCC(c1sc2c(c1)CCC2)NN	PC-id_105310572	302.434	GAPVJOSJKJQQTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061991
COc1cc(C)cc(c1C(c1sc2c(c1)CCC2)NN)C	PC-id_106682887	302.434	QONQJXHOFUPYQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061992
COc1c(C)cnc(c1C)CC(c1sc2c(c1)CCC2)N	PC-id_115843934	302.434	XCZBXLJADBYJTP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-061993
C(=O)(Nc1sc2CCCc2c1C#N)CCC1CCCCC1	EMOLS-id_327997782,MCULE-2541978130	302.434	UMOXNDJYDDYSMI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-061994
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330992826,MCULE-2562237387	302.434	BYXJPVQYHRJSQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061995
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1CO	MCULE-6853886965,EMOLS-id_330990525	302.434	AVDRDCJMOSCVDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-061996
NNC(c1ccc(c(c1OC)C)C)c1sc2c(c1)CCC2	PC-id_103436348	302.434	YSBANYHRSWKRNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061997
NNC(c1ccccc1OC(C)C)c1sc2c(c1)CCC2	PC-id_105326120	302.434	MBRYSASYBNEAHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061998
NNC(c1cc(C)c(cc1C)OC)c1sc2c(c1)CCC2	PC-id_105332972	302.434	AGQAISORFIWCLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-061999
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)OC(C)C	PC-id_105304119	302.434	PLRILLCRYSJSQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062000
NNC(c1sc2c(c1)CCC2)c1cccc(c1)OC(C)C	PC-id_105326442	302.434	TZDBWDDXCYRPQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062001
NNC(c1sc2c(c1)CCC2)Cc1cc(C)ccc1OC	PC-id_105291964	302.434	UKOXXWLXOGODTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062002
OC(c1sc2c(c1)CCC2)Cc1ccn(n1)C1CCCC1	PC-id_115809771	302.434	UVWANKSJRQSUSW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062003
OC(Cc1ccccc1)CNC(c1sc2c(n1)CCC2)C	PC-id_109908753	302.434	VXQXUDFPHOREGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062004
OCCCC(c1ccccc1)NCc1sc2c(n1)CCC2	PC-id_109948645	302.434	QHBKIQYMVRMJIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062005
OCCC(N(Cc1sc2c(n1)CCC2)C)c1ccccc1	EMOLS-id_49298891,PC-id_75497421,MCULE-4450368330	302.434	UJTBFEOULKNYLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062006
OCCN(Cc1sc2c(n1)CCC2)CCc1ccccc1	PC-id_109974848	302.434	RGOXRFSBPZRSJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062007
s1c2CCCc2cc1CNCc1ncc(c(OC)c1C)C	PC-id_61207252	302.434	GVZKUYUQIQLVEL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-062008
s1c2c(CCC2)cc1C(=O)NC1(CCC(CC1)CC)C#N	PC-id_61121545	302.434	XGUCWOTZKTXFBH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062009
s1c2c(CCC2)cc1C(=O)NC1(CCCCCCC1)C#N	PC-id_61123778	302.434	VOQSLCRAIRCUMX-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-062010
s1c2CCCc2nc1CC(N)c1ccc(OCCC)cc1	PC-id_82066886	302.434	VABBKHBZMYCGSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062011
s1c2CCCc2nc1CC(N)c1ccc(OC(C)C)cc1	PC-id_82066887	302.434	NGJXJYXCEBPUIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062012
s1c2CCCc2nc1C(NC)c1ccc(OC(C)C)cc1	PC-id_61330381	302.434	BUWRXJXIZOFIDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062013
s1c2CCCc2nc1C(NC)c1ccc(OCCC)cc1	PC-id_62496802	302.434	ORCMMZZDLKTDNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062014
s1c2CCCc2nc1C(NC)c1cc(OC(C)C)ccc1	PC-id_61330779	302.434	SRJZMGUJRMURII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062015
s1c2CCCc2nc1C(NC)c1cc(OCCC)ccc1	PC-id_62500121	302.434	OQPQJWLCQWOTAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062016
s1c2CCCc2nc1C(NCC)c1cc(ccc1)COC	PC-id_65592643	302.434	WOYYQVSSQTVUPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062017
s1c2CCCc2nc1C(NCC)c1ccc(cc1)COC	PC-id_65625521	302.434	METQELNAPVOLSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062018
s1c2CCCc2nc1C(NCC)c1cc(c(OC)cc1)C	PC-id_62131906	302.434	CSVOYFMUGHJXSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062019
s1c2CCCc2nc1C(NCC)c1ccc(OCC)cc1	PC-id_61332210	302.434	JSBYDPXKDAQBGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062020
s1c2CCCc2nc1C(NCC)c1cc(OCC)ccc1	PC-id_61332398	302.434	KCKMONOPJWUUTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062021
s1c2CCCc2nc1C(NCC)c1c(COC)cccc1	PC-id_65625386	302.434	MOYVYBCDAXBPOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062022
s1c2CCCc2nc1C(NCC)c1c(OCC)cccc1	PC-id_61332205	302.434	CARACBRIUFARTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062023
s1c2CCCc2nc1C(NCCC)c1ccc(OC)cc1	PC-id_61334008	302.434	JMJCHDWLNPKHRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062024
s1c2CCCc2nc1C(NC(C)C)c1ccc(OC)cc1	PC-id_61336009	302.434	VHHAJMQYJAFTAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062025
s1c2CCCc2nc1C(NCCC)c1cc(OC)ccc1	PC-id_61333423	302.434	YVPHIKZTEZKPOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062026
s1c2CCCc2nc1C(NC(C)C)c1cc(OC)ccc1	PC-id_61335436	302.434	FASKEDZLMRQZKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062027
s1c2CCCc2nc1C(NC(C)C)c1c(OC)cccc1	PC-id_61334843	302.434	UEYZVHYIWKLENS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062028
s1c2CCCc2nc1C(NCCC)c1c(OC)cccc1	PC-id_61335961	302.434	DFNIETBMXJDJDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062029
s1c2CCCc2nc1C(NCCOC)c1c(cccc1)C	PC-id_62541930	302.434	CPOLLJZIHMQONQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062030
s1c2CCCc2nc1C(NCCOC)c1ccc(cc1)C	PC-id_62542094	302.434	GORSPGVVTSPJDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062031
s1c2CCCc2nc1C(NCCOC)c1cc(ccc1)C	PC-id_62542261	302.434	LQIUDGGAXMNXKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062032
s1c2CCCc2nc1C(NCCOC)Cc1ccccc1	PC-id_62542263	302.434	QMWRROZGYXCBAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062033
s1c(nc2c1CCC2)C(N)(CCc1ccc(OC)cc1)C	PC-id_61331491	302.434	IDXAEFZZJVJQRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062034
s1c(nc2c1CCC2)C(NC)(Cc1ccc(OC)cc1)C	PC-id_63271278	302.434	HGQMQHDDYKBDST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062035
s1c(nc2c1CCC2)C(NC)(Cc1c(OC)cccc1)C	PC-id_61330380	302.434	KVYMJPFPMMEWFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062036
C1CCC(C1)C(c1cccs1)NCc1nnc2n1CCC2	MCULE-1261618621,PC-id_75441278,EMOLS-id_48809059	302.438	OPVNOPOIUDMABX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062037
c1csc([C@@H](NCc2nnc3n2CCC3)C2CCCC2)c1	PC-id_97159489,ZINC22_93372321	302.438	OPVNOPOIUDMABX-INIZCTEOSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062038
c1csc([C@H](NCc2nnc3n2CCC3)C2CCCC2)c1	ZINC22_93372320,PC-id_97159488	302.438	OPVNOPOIUDMABX-MRXNPFEDSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062039
CC1CC(c2n1ccn2)NCc1cnc(s1)C1CCCC1	MCULE-1745480268,EMOLS-id_318279684	302.438	ABKFFPLSQPOKJJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062040
CC1CC(c2n1ncn2)NCC1(CCCC1)c1cccs1	MCULE-7837844310,EMOLS-id_318547393	302.438	RDJJJPOVMLOCJG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-062041
Cc1c(NCc2sc3c(n2)CCC3)cnn1C1CCCC1	EMOLS-id_318263309,MCULE-6330327700	302.438	GMVJKHAHUSUYDS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062042
Cc1csc(n1)C1(CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318305041,MCULE-8886174680	302.438	MQZGRLBDZZEHQT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062043
Cc1csc(n1)C1(CCCC1)NCc1nn2c(c1)CCC2	MCULE-8361644462,EMOLS-id_318115241	302.438	DKFCZEPXBGXXNX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062044
Cc1[nH]nc(c1C1CCCN1Cc1sc2c(n1)CCC2)C	EMOLS-id_318403453	302.438	VEXIJODCASSASB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062045
Cc1n[nH]cc1C1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318793995	302.438	YYZSYVGWSSZQRG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062046
CC(c1ncc(cn1)CNCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318686552,MCULE-6742925699	302.438	MQFJTFWARSJUOJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062047
CCc1nn(cc1C(c1sc2c(n1)CCC2)NC1CC1)C	PC-id_115990395	302.438	FNURPVQVOPANAD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062048
CCCn1ncc(c1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_103572516	302.438	VNUNFHRVXARZLB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062049
CC(n1ncc(c1)C(c1sc2c(n1)CCC2)NC1CC1)C	PC-id_108386648	302.438	ANTRHFIIZTZLNB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062050
Nc1ccnc(n1)CN(C(C)C)Cc1sc2c(c1)CCC2	PC-id_75431203,EMOLS-id_48797779	302.438	GQRNBSVXUWNXQV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062051
s1c(nc2c1CCC2)C(NC1CC1)c1c(n(nc1C)C)C	PC-id_61333516	302.438	BJGYSSZBYRPQCE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062052
s1c(nc2c1CCC2)C(NC1CC1)c1n(CCC)cnc1	PC-id_66130434	302.438	BNAUXNINBBEQNR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062053
s1c(nc2c1CCC2)C(NC1CC1)c1n(C(C)C)cnc1	PC-id_66163031	302.438	ARUGUCGRXGWRFZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062054
s1c(nc2c1CCC2)C(NCCC)c1n(C2CC2)cnc1	PC-id_66140642	302.438	CQCLREMNISGNNS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062055
s1c(nc2c1CCC2)C(NC(C)C)c1n(C2CC2)cnc1	PC-id_66141044	302.438	PCMSMFVZIPPNBB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062056
S(c1ccc(C(NC(c2n3CCCc3nn2)C)C)cc1)C	PC-id_43748104	302.438	DRXFLJCKOARZOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062057
o1c2c(C(CC2)(C)/C=C/C/C(=C/CO)/C)cc1CCCCC	PC-id_15726430	302.451	KHWAFOGKAGTIFK-OHAJNEHYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062058
o1c2c(C(CC2)(C)C=CCC(=CCO)C)cc1CCCCC	PC-id_85446785	302.451	KHWAFOGKAGTIFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062059
CC(N[C@@H](C(C)C)CN1Cc2c(S1(=O)=O)ccs2)C	PC-id_59677855,SCHEMBL13792003	302.456	PFYAXSXALXNXJV-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062060
NNC(c1sc2c(c1)CCC2)CCCS(=O)(=O)CC	PC-id_105310853	302.456	JKTPIGJKEGXLCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062061
S1(=O)(=O)N(CC(NC(C)C)C(C)C)Cc2sccc12	PC-id_72355748	302.456	PFYAXSXALXNXJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062062
C1CCC(CC1)(CNC1CCn2c1ncc2)N1CCCCC1	EMOLS-id_318210601,MCULE-2043877441	302.458	VENDVUIYSSCLSB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062063
C1CCC(CC1)N1CCC(CC1)NCc1cnc2n1CCC2	MCULE-5673594900,EMOLS-id_317942781	302.458	ZKJGKNGWJSFWQT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062064
CC1CC(c2n1ccn2)NC1CCN(CC1)C1CCCCC1	EMOLS-id_318326832,MCULE-1627538763	302.458	KQDRUILMOTYICG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062065
CC1CC(c2n1ccn2)NCC1CCCN1C1CCCCC1	EMOLS-id_318372920,MCULE-6668963146	302.458	AKUNUHIWKFAZNK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062066
CC1CCN(CC1)C1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_318247507,MCULE-3835125530	302.458	IMADQXULXVWHBQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062067
CC(C1CC(CN1Cc1nn2c(c1)CCC2)N1CCCC1)C	EMOLS-id_319802196	302.458	WUQZRXCWRORLJG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062068
CC(C1CCCN(C1)C1CCC1)NC1CC(n2c1ncc2)C	MCULE-2152887076,EMOLS-id_318195481	302.458	WUINQMQUYBEKRE-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-062069
CC(c1nn2c(c1)CCC2)NC1CCN(CC1)C1CCCC1	EMOLS-id_318369862,MCULE-6850990692	302.458	WTVPABUZUPPGEW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062070
[S]1(N)c2c(nsc2SCCN(C)C)C=C1C(=O)C	PC-id_20979460	302.459	JIZWTWOIDQRFQU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-062071
CCCCC(CC1C(=O)c2c(C1=C=C)c(sc2C)C)CC	PC-id_144400482	302.474	RBSFKACIMUQFCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062072
S1c2n(CC1)c(c(n2)C)CSCCNC(=S)NC	PC-id_50878408	302.482	JNRKLMYNQUCXQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062073
Brc1sc2c(S(=O)(=O)NC2=O)c1Cl	PC-id_16639347	302.553	WXPRKVKBVQAPRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062074
ClC(c1sc2c(CCC2)c1)c1c(F)cc(F)cc1F	PC-id_55200224	302.742	NXQDWOGPEGYQRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062075
Fc1cc(F)c(cc1C(c1sc2c(c1)CCC2)Cl)F	PC-id_113800552	302.742	WHBBPPKOCQBJJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062076
Clc1ccc(cc1)CNC(=O)c1c(C)[nH]c2c1CCC2=O	SCHEMBL5257537,PC-id_21051552	302.755	KSMCNBWLWWKGAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062077
C1Cc2c(C(=O)NN=C(c3ccc(Cl)cc3)C)n[nH]c2C1	MCULE-1014172711,PC-id_3507241	302.759	CEWNXYROOGEBCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062078
c1(C(=O)NN=C(C)c2ccccc2Cl)c2CCCc2[nH]n1	PC-id_5422282,MCULE-4600892845	302.759	RMKFEBGTJLOLLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062079
Cc1c(c(c2n1CCN2Cc1cnc(cc1)Cl)C#N)OC	PC-id_89392559,SCHEMBL14646132	302.759	GCFHFZNTDVPIFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062080
C/C(=NNC(=O)c1n[nH]c2CCCc12)/c1ccccc1Cl	STOCK3S-33425,CoCoCo_6036181,CoCoCo_6036183,EMOLS-id_206964536,PC-id_9616937	302.759	RMKFEBGTJLOLLR-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062081
Clc1ccc(/C=C/C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52024786	302.759	TVRPDLXEWMHMNO-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062082
Clc1ccc(C=CC(=O)NCc2n3CCCc3nn2)cc1	PC-id_75770528	302.759	TVRPDLXEWMHMNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062083
Clc1ccc(C(=C)NNC(=O)c2n[nH]c3CCCc23)cc1	PC-id_2047567	302.759	YDZCUMWAKUAGNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062084
Clc1ccc(/C(=N/NC(=O)c2n[nH]c3CCCc23)/C)cc1	PC-id_9623641	302.759	CEWNXYROOGEBCT-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062085
Clc1c(C=CC(=O)NCc2n3CCCc3nn2)cccc1	EMOLS-id_26236756,PC-id_72055521,MCULE-3654785046	302.759	NWDKKWPMKHZSDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062086
O=C(c1[nH]nc2c1CCC2)N/N=C(c1ccccc1Cl)/C	CoCoCo_6036182,CoCoCo_6036184	302.759	RMKFEBGTJLOLLR-MFOYZWKCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062087
O=C(/C=C/c1ccccc1Cl)NCc1nnc2n1CCC2	CoCoCo_4658132,PC-id_40143074,ZINC22_32906562	302.759	NWDKKWPMKHZSDQ-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062088
O=C(/C=Cc1ccccc1Cl)NCc1nnc2n1CCC2	CoCoCo_4658133	302.759	NWDKKWPMKHZSDQ-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062089
N#Cc1cc(Cl)c(nc1C)NC(c1nnc2n1CCC2)C	MCULE-8895267862,EMOLS-id_318812435	302.762	KPOPOZZFFRYPRB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062090
N#Cc1c(ncc(c1C)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318532435,MCULE-4704020437	302.762	QIDMNTVHCDRRBG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062091
c12CN(Cc1sc(Cl)c2C(=O)N)C(=O)OC(C)(C)C	MCULE-6470222854,EMOLS-id_331064613	302.777	TVGDTNUJYHNHEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062092
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	PC-id_727486,MCULE-1626937358,EMOLS-id_2897605,ZINC22_136926,CoCoCo_3268190	302.779	FHPCMMFYCPVOMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062093
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C#N	ZINC22_60004,ChEMBL-DNDi_CHEMBL1000-0555,SPECS-id_AN-153/I181365,EMOLS-id_1452956,BAS-04435841,MCULE-4442220528,PC-id_690064,CoCoCo_322417,TIMTEC187374,SPECS-id_AP-970/40118568	302.779	HCZDQIRWZHJGNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062094
Clc1cccc(c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-9305301128,GD-id_ZINC04031683,EMOLS-id_4928883,PC-id_4048670,ZINC22_4031683,CoCoCo_3268192	302.779	WIWNYKLZOKGABE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062095
Clc1cc(NC(=O)c2sc3CCCc3c2)c(cc1)C#N	PC-id_60628637	302.779	DYCBJRDGMJPOPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062096
Clc1c(NC(=O)c2sc3CCCc3c2)cc(cc1)C#N	PC-id_80200763	302.779	SYJMKCJAIHEJMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062097
N#Cc1ccc(c(c1)Cl)NC(=O)c1sc2c(c1)CCC2	PC-id_103799807	302.779	PFPFHXLJAMIKMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062098
CC1CCc2c1c(Cl)nn2Cc1cccc(OC2CC2)c1	EMOLS-id_330973682,MCULE-9207327966	302.799	WYGXLVXPPSKROC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-062099
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(Cl)c12	MCULE-8168239985,EMOLS-id_331020206	302.799	QHPLAODCRABGQO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-062100
CCc1cc(Cn2nc3CCC(C)c3c2C=O)ccc1Cl	MCULE-3967659639,EMOLS-id_330986161	302.799	SQFASZYYSYIDMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062101
CCc1cc(Cn2nc(C=O)c3C(C)CCc23)ccc1Cl	MCULE-3098358929,EMOLS-id_331002358	302.799	KZSCTFPNHBKXLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062102
Clc1ccc(cc1)Cn1c2C(=O)CCc2nc1C(C)(C)C	PC-id_58460143,SCHEMBL2511981	302.799	GDPLAQNWSVZKNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062103
ClCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9022982124,EMOLS-id_328215153	302.799	WEJBYAYDPGZSEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062104
Clc1ccc(s1)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318645857	302.8	NIVACCVHAMJLKP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062105
Clc1ccsc1CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318513589	302.8	QITMSYXNMPNWRA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062106
CC1CC(c2n1ncn2)NC1(CCC1)c1ccc(cc1)Cl	EMOLS-id_318440358,MCULE-7397230426	302.802	IDKGNQKTZFAWKS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-062107
CC1CC(c2n1ncn2)NCC1(CC1)c1ccc(cc1)Cl	EMOLS-id_318488006,MCULE-7187636895	302.802	XYXUGGVRCFBTDW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062108
Clc1ccccc1C1CC(C1)NCc1nnc2n1CCC2	EMOLS-id_318760778,MCULE-5440035262	302.802	RCXDFXITIDVWQF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-062109
Clc1ccccc1C1(CNC2CC(n3c2ncn3)C)CC1	EMOLS-id_318669220,MCULE-9665632790	302.802	BEAGJNJWCHIZGR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062110
Clc1cccc(c1)C1(CNC2CC(n3c2ncn3)C)CC1	MCULE-3548250048,EMOLS-id_318386050	302.802	SPHSQMGNBIGYCO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062111
Clc1cccc(c1)CC1(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318556396,MCULE-4393372969	302.802	KTQNGUYITXAGTQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-062112
Clc1ccc(cc1)[C@@H]1C[C@H](C1)NC1CC(n2c1ncn2)C	EMOLS-id_318496936,MCULE-2604902047	302.802	FUXZEIQJNKPEQN-IFPNVHFESA-N	00001010100000110001100010000000000000000000000000000000	25-01-062113
Clc1ccccc1[C@@H]1C[C@H](C1)NC1CC(n2c1ncn2)C	EMOLS-id_318722815,MCULE-2450703475	302.802	XLZHZHXJDUUNMZ-SSYONQAESA-N	00001010100000110001100010000000000000000000000000000000	25-01-062114
Clc1cccc(c1)N1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318230138	302.802	XLTKCZXYZVFTGR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-062115
Clc1ccc(cc1)N1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318360119	302.802	MQWRRQCLAOKDPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-062116
c12CN(Cc1sc(Cl)c2CNC)C(=O)OC(C)(C)C	EMOLS-id_331064869,MCULE-5547363356	302.82	LBTSFAKEIGIJPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062117
CC(C(=O)NCCOC)NC1CCc2c1cc(s2)Cl	PC-id_104391481	302.82	AFHRQICIZVZSCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062118
COCCNC(=O)CCNC1CCc2c1cc(s2)Cl	PC-id_104419062	302.82	DRYNYXZPOKJJJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062119
Clc1sc2c(C(NC(c3ccc(cc3)C#N)C)CC2)c1	PC-id_81252171	302.822	XLEJQNCYCIATFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062120
N#Cc1ccc(c(c1)Cl)CNCc1sc2c(c1)CCC2	PC-id_102664199	302.822	LUCUEMFLZITKSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062121
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)CC(C)C	EMOLS-id_330972159,MCULE-1255212768	302.842	WVNWIZRQBYWEIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062122
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)C(C)(C)C	EMOLS-id_330972415,MCULE-2116197703	302.842	IUTWTAFBQIZNPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062123
CC1CCc2c1c(CCl)nn2Cc1c(C)cc(C)cc1C	MCULE-1621402445,EMOLS-id_331026432	302.842	ALDXXKCPMJVAHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062124
CC1CCc2c1c(CCl)nn2Cc1cc(C)c(C)cc1C	MCULE-2767698516,EMOLS-id_331026191	302.842	GIUNTKFCABTTBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062125
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(Cl)c12	EMOLS-id_331018924,MCULE-4867619592	302.842	OUXWDNJMIXFODG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062126
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(CCl)c12	MCULE-2484932803,EMOLS-id_331006394	302.842	RRXNAEDENKJZEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062127
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(CCl)c12	MCULE-3947136074,EMOLS-id_331006138	302.842	LIALABPRKHIJSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062128
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007163,MCULE-6912775288	302.842	RCFGINNCFCVNAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062129
CCc1ccccc1C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007423,MCULE-2507821966	302.842	KXXDYLYMODQMSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062130
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1CCl	MCULE-4440731321,EMOLS-id_331009981	302.842	RIRJMKUJSIIIJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062131
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006910,MCULE-3114584375	302.842	RHIILERLYWUNLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062132
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007419,MCULE-1642697345	302.842	YAPNMNIZWBNHMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062133
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009725,MCULE-6135313157	302.842	CJJMMTZGDQIHDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062134
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1CCl	MCULE-1537800843,EMOLS-id_331007679	302.842	QRNJVCUTPXFRFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062135
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1Cl	MCULE-7402789906,EMOLS-id_330959797	302.842	UESZORZVWWBWLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062136
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1Cl	MCULE-8044790192,EMOLS-id_330959541	302.842	ROGKWZNVYIZDGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062137
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006654,MCULE-8688135798	302.842	ZMHHQQIQMZXJFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062138
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1CCl	MCULE-8128910833,EMOLS-id_331006907	302.842	VKNDKARACUNVGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062139
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960309,MCULE-2285077670	302.842	AAIQAIFIDHUCLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062140
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1Cl	MCULE-2156892368,EMOLS-id_330957240	302.842	ANQIZVIKGATXFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062141
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1Cl	MCULE-4424842826,EMOLS-id_330960053	302.842	SEZXUFRBPCXWOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062142
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1CCl	MCULE-7566392181,EMOLS-id_331006650	302.842	PJTKFRJYPKBSME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062143
CC(C)c1ccccc1Cn1nc(CCl)c2C(C)CCc12	MCULE-1623850348,EMOLS-id_331026688	302.842	BJCXVHXFVCLXRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062144
CC(C)c1cccc(Cn2nc3CCC(C)c3c2CCl)c1	EMOLS-id_331009466,MCULE-6137080283	302.842	CTPPSSGFAHFGEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062145
CC(C)c1cccc(Cn2nc(CCl)c3C(C)CCc23)c1	EMOLS-id_331029504,MCULE-4883201286	302.842	UJLDYCTZULINEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062146
CCCc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1	EMOLS-id_331009713,MCULE-3797243423	302.842	AVGJRBGFWNWKCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062147
CC(C)c1ccc(Cn2nc3CCC(C)c3c2CCl)cc1	EMOLS-id_331009969,MCULE-8482652598	302.842	AYLUELRFJCWJLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062148
CCCc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1	MCULE-1448286468,EMOLS-id_331025671	302.842	BIRSJSAWPNSZCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062149
CC(C)c1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1	MCULE-8965912244,EMOLS-id_331025927	302.842	AWVRLJXODFMQOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062150
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1	MCULE-1574190284,EMOLS-id_331018668	302.842	JHOGEZGUURBMIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062151
Clc1sc2c(c1)C(CC2)NCCN1CCSCC1	PC-id_106324813	302.886	CVYTXCJSQGGGNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062152
CCOC(=O)CN1CC2=C(C1=O)C=C(S2)Br	PC-id_154730302	302.956	ZUEMRQNNCGDNCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062153
C1C2=CN(N=C2CN1)S(=O)(=O)C3=CN(C=N3)CC(F)F	PC-id_164872102	303.06	ZXTQFVBFTXVLOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062154
C1C2=CN(N=C2CN1)S(=O)(=O)C3=CN(N=C3)CC(F)F	PC-id_164872064	303.06	LNIHYWFHZKTAHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062155
C1C2=CN(N=C2CN1)S(=O)(=O)C3=NN(C=C3)CC(F)F	PC-id_164872213	303.06	UHJFKZDOCUAERA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062156
C1C2=C(CN1C(=O)N)NN=C2C(C3=CC=CC=C3F)C(=O)N	PC-id_153863843	303.113	ATGOYTALLMPIOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062157
C1C2=C(CN1C(=O)N)NN=C2C(C3=CC(=CC=C3)F)C(=O)N	PC-id_153863844	303.113	MPACIHFYVXLWMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062158
C1C2=C(CN1C(=O)N)NN=C2C(C3=CC=C(C=C3)F)C(=O)N	PC-id_153863845	303.113	IWCNVXHOEBGXHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062159
C=CC(=O)N(CC1=C2CCCN2N=C1)C3=C(C=C(C=C3)F)F	ZINC22_1875376141,PC-id_154880569,MCULE-4871219900	303.118	NGVMFQSXADWKES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062160
C1CC1CN(CCC(F)(F)F)C(=O)C2=NN3CCOC3=C2	PC-id_154758662,EMOLS-id_317300186,MCULE-3283265718	303.119	QRNVMVBWPPOTBL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062161
C1C=CC2=C1C=C(N2)C(=O)CCC3=CN=C(N3)C4=CC=CC=C4	PC-id_162022015	303.137	YUWGIUAGIOOLIO-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-062162
Ic1c2CNCc2nn1CC1CCC1	EMOLS-id_324341859,MCULE-9412880772	303.143	NPFZUIRVYSFLHH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-062163
[B]n1c2c(CCC2)cc1C=C1C(=CC(=N1)c1cccn1C)OC	PC-id_89203713	303.166	NVPFUNBSTSGULR-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-062164
Brc1sc2c(CC(C2=O)(C)C(=O)OCC)c1	PC-id_70943331,SCHEMBL13575526	303.172	ITUKAUCWYIMSAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062165
C/C=C/C(=CC=C(/C)F)/NC(=O)C1=C2CCC(C2=CN1C)N	PC-id_153398297	303.175	NRRZIKDWZYYOSR-HWWZPGPZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062166
BrCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_63681382,EMOLS-id_39934175	303.176	PHWRTCAUBWJPTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062167
ClC1(Cl)C(C1)(C)C(=O)N(Cc1n2CCCc2nn1)C	MCULE-7766213410,EMOLS-id_31936738,PC-id_47031267	303.188	AAYUITSPNXFCDX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062168
CN(Cc1nnc2n1CCC2)C(=O)[C@@]1(C)CC1(Cl)Cl	ZINC22_58162450,PC-id_94796635	303.188	AAYUITSPNXFCDX-LLVKDONJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062169
CN(Cc1nnc2n1CCC2)C(=O)[C@]1(C)CC1(Cl)Cl	ZINC22_58162451,PC-id_94796636	303.188	AAYUITSPNXFCDX-NSHDSACASA-N	00100010100000000001000010000000000000000000000000000000	25-01-062170
CC1CC(C(C(C1)C)C(C2=C(C(=C)N3C2=NC=N3)C)OO)C	PC-id_161760310	303.195	NPWWFWOCVDLTCX-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-062171
CC1CN(CC(O1)C)C(=C)C2=NN(C3=C2CCC3)CC(=O)C	PC-id_153575459	303.195	ZWSFOQDIRKOUCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062172
[O-][N+](=O)c1[se]c2c(c1N)C(N(C2(C)C)[O])(C)C	PC-id_101507341	303.196	VKDSIDYCTNTAGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062173
ClC(=O)c1sc2c(c1S(=O)(=O)Cl)CSC2	SCHEMBL18100530,PC-id_122577955	303.206	NOBLFNYIDBDGML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062174
Clc1c(CNCc2nnc3n2CCC3)csc1Cl	MCULE-4025718788,EMOLS-id_318736016	303.211	WSIWICNNJUKICV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062175
BrC(C(C)C)C(=O)Nc1sc2CCCc2n1	PC-id_61508579,EMOLS-id_38357431	303.219	CHYOUNMVGDDKHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062176
BrCCCCC(=O)Nc1sc2c(n1)CCC2	PC-id_107909866	303.219	VRBAAJTUWKQJTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062177
Clc1cc(c(s1)Cl)C(=O)c1sc2c(c1)CCC2	PC-id_43463802,EMOLS-id_37654909	303.227	QGEBTZRIGICFBA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062178
FC(F)(F)c1c(n2c(C(=C(C2)C(=O)OC)C(=O)OC)c1)C	PC-id_46185538	303.234	YIBKBZWJQNEGJB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-062179
c12CN(Cc1nn(CC(F)F)c2C(=O)OCC)C(=O)OC	EMOLS-id_324344687,MCULE-2704666189	303.262	SVRSNORULURQAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062180
c12CN(Cc1nn(CC(F)F)c2C(=O)OC)C(=O)OCC	MCULE-5380701655,EMOLS-id_324343660	303.262	KWAIBFHPGUKUEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062181
Fc1ccc(CC(=O)Nn2nc3c(CN(C3)C(=O)[O-])c2)cc1	PC-id_23139805	303.268	GFSZXUZIXWRRDN-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-062182
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)C=O	SCHEMBL3465382,PC-id_87531145	303.27	RPJCOADJVKCSPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062183
ClC(c1sc(c(c1)C)Cl)c1sc2c(c1)CCC2	PC-id_102764815	303.27	HEDBAVHEMUVPAG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062184
COC(=O)c1ccc(O)c(NC(=O)c2cc3n(n2)CCO3)c1	ZINC22_368114242,EMOLS-id_316892992,MCULE-4621096224	303.27	NROUUPFNLLRLDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062185
OCC1(CCN(C1)C(=O)c1occ2c1CCC2)C(F)(F)F	EMOLS-id_319526789	303.277	RBAKXNLZIZOBQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062186
O=C(c1occ2c1CCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_319837439,MCULE-6501345340	303.277	VNEZHHNCQWREPA-MNOVXSKESA-N	00000010100010000000000010000000000000000000000000000000	25-01-062187
c12CN(Cc1nn(CC1CCC1)c2C(=O)O)CC(F)(F)F	EMOLS-id_324343143,MCULE-7479689474	303.28	IJWFUBYJBRRCCE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-062188
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCOCC2)n1	MCULE-2307660537,PC-id_1223613,TIMTEC236989,ZINC22_999598,EMOLS-id_8837394	303.28	JGJJTFJYOGITAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062189
c1(C(=O)N2CCC(CC2)OC(F)(F)F)c2CCCc2[nH]n1	ZINC22_2356142143,EMOLS-id_337803803,MCULE-7833698001	303.28	GGQFFDZQGANBBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062190
CC1(C(F)(F)F)CCN(C(=O)c2cc3n(n2)CCO3)CC1	ZINC22_2325784376	303.28	YFYRCLZTUPECPC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062191
O=C(c1cc2n(n1)CCO2)N(CC(F)(F)F)C1CCCC1	EMOLS-id_316743167,ZINC22_291477695,MCULE-6365336968	303.28	LGKNSQAOAPYCKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062192
OCC1(CCN(C1)C(=O)c1cnn2c1CCC2)C(F)(F)F	EMOLS-id_316624703	303.28	MZBFHIDWTBUIOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062193
OCC1(CCN(C1)C(=O)c1n[nH]c2c1CCC2)C(F)(F)F	EMOLS-id_320155675,MCULE-1701721817	303.28	KWKFUXMWUJKGRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062194
O=C(c1cn2c(n1)CCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_320264837,MCULE-5577659958	303.28	BKYFVCIUQHGARY-BDAKNGLRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062195
O=C(c1cnc2n1CCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_319454165	303.28	ZLYIXYNQGLCFRB-BDAKNGLRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062196
O=C(c1cnn2c1CCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_318911922	303.28	RUWURKAAHANKBN-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062197
O=C(c1nn2c(c1)CCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_319283906	303.28	CXWSQJVGIHSUMK-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062198
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)(O)C(F)(F)F	EMOLS-id_110458749,PC-id_109884628	303.28	NFACQYUKJKJKRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062199
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)(O)C(F)(F)F	EMOLS-id_111451849	303.28	YJSONHNNWUNHJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062200
O=C(c1n[nH]c2c1CCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_319325483	303.28	YXARYARRUONZMT-SCZZXKLOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062201
OC(C(F)(F)F)C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110445176	303.28	PKWJTOWYEALJPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062202
FC(F)(F)c1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324908557	303.283	WOYGMSOVKISPCL-UTCJRWHESA-N	00000000100100000001000010000000000000000000000000000000	25-01-062203
n12c(=O)c(=Cc3ccsc3)sc1nc(C(F)(F)F)n2	MCULE-2770096073	303.283	WOYGMSOVKISPCL-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-062204
NC(=O)[C@@H]1CN(C[C@H]1C(F)(F)F)CC1CCc2n1ncn2	EMOLS-id_316089236,MCULE-2563916976	303.284	LEVPIRFZPHCWNU-CFCGPWAMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062205
NC(=O)[C@@H]1CN(C[C@@H]2CCc3ncnn23)C[C@H]1C(F)(F)F	ZINC22_639674344	303.284	LEVPIRFZPHCWNU-DJLDLDEBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062206
NC(=O)[C@@H]1CN(C[C@H]2CCc3ncnn23)C[C@H]1C(F)(F)F	ZINC22_639674345	303.284	LEVPIRFZPHCWNU-IWSPIJDZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062207
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)CC(F)(F)F	MCULE-5965606737,EMOLS-id_320090479	303.284	AGLSICAPDIKCEO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062208
O=C(N1Cc2c(C1)c(n(n2)C)N)NC1(CCC1)C(F)(F)F	EMOLS-id_319759210	303.284	WWUBTUFQPZWTMT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-062209
O=C(N1Cc2c(C1)c(n(n2)C)N)NC(C(F)(F)F)C1CC1	EMOLS-id_319171653	303.284	QYXGNNNQNIKRGY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062210
O=C(O)c1ccc(CNC(=O)c2occ3c2CCC3)c(F)c1	EMOLS-id_316938115,ZINC22_909987256,MCULE-2319374872	303.285	NPEZXVIKSUNJLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062211
CC(=O)Nc1ccc(OC(=O)c2cnc3n2CCC3)c(F)c1	EMOLS-id_324023935,PC-id_146107276,ZINC22_850865833,MCULE-8420265899	303.288	PRUFMNFIDBQGQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062212
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)F)CC	MCULE-2932608640,PC-id_135649918,STOCK6S-68637,EMOLS-id_24577527	303.292	CMDHYAUFEBVHIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062213
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1F)CC	PC-id_135649928,EMOLS-id_27447970,MCULE-4631930903,STOCK6S-78358	303.292	GCRQCEDFZGCZRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062214
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1F)C)C	PC-id_135993997,MCULE-7298707397	303.292	FCJPYVZMQWROLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062215
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1F)C(=O)N2	PC-id_135878595,ZINC22_31813752	303.292	GCRQCEDFZGCZRL-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062216
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1F)C(=O)N2	ZINC22_31813758,PC-id_135878596	303.292	GCRQCEDFZGCZRL-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-062217
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2	PC-id_135902072,ZINC22_20723486	303.292	CMDHYAUFEBVHIZ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062218
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2	PC-id_135902073,ZINC22_20723489	303.292	CMDHYAUFEBVHIZ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-062219
Fc1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)N)cc1	PC-id_68440484,SCHEMBL2917991	303.292	ANGIDFAQSHIYNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062220
Fc1cc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)N)ccc1	PC-id_68440572,SCHEMBL2918254	303.292	IEEJNIRFHCIHOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062221
Fc1c(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)N)cccc1	PC-id_68440759,SCHEMBL2918918	303.292	CLNWRDJUAOKKPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062222
c1(NC(=O)c2ccc(N(=O)=O)o2)sc2c(CCC2)c1C#N	SPECS-id_AP-970/41072201,ChEMBL-DNDi_CHEMBL6975425,EMOLS-id_1487126,ChEMBL-DNDi_CHEMBL1582472,CoCoCo_356021,ZINC22_2999125,CHEMBL1582472,SCHEMBL15281392,BAS-06848302,PC-id_2295461,MCULE-8836751632,SPECS-id_AN-153/I226306	303.293	CBSZVPKUGQCGOE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-062223
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)O)c2=O	MCULE-4464960932	303.293	LJSXHCJPLJPWJV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062224
n12ncnc1sc(=Cc1ccccc1OCC(=O)O)c2=O	MCULE-5310692532	303.293	FWLTXIDOKXRPOT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062225
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)O)c2=O	MCULE-5899285056	303.293	RBQAGQFYELIERN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062226
OC(=O)COc1ccccc1/C=c/1sc2ncnn2c1=O	ZINC22_256027842,EMOLS-id_190367155,PC-id_117588183	303.293	FWLTXIDOKXRPOT-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062227
OC(=O)COc1ccc(/C=c/2sc3ncnn3c2=O)cc1	EMOLS-id_190367497,ZINC22_256027949,PC-id_117588197	303.293	LJSXHCJPLJPWJV-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062228
OC(=O)COc1cccc(/C=c/2sc3ncnn3c2=O)c1	EMOLS-id_190367407,ZINC22_256028063,PC-id_117588193	303.293	RBQAGQFYELIERN-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062229
S1Cc2c(noc2NC(=O)c2noc(c2)c2occc2)C1	PC-id_45505346	303.293	GWCBOQYAVXSPEA-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-062230
N#Cc1c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)sc2c1CCC2	ZINC22_5635142,MCULE-2222314727,PC-id_135476684,SPECS-id_AN-153/I138358	303.297	QWIIYHOOJUNVEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062231
O=C(NC(c1n2CCCc2nn1)C)C[N+]1=NC(=O)C=CC1=O	PC-id_76049885	303.297	RGVMAKMQJTWVBY-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-062232
Fc1ccc(c(c1)F)[C@@H]1C[C@H]1NC(=O)c1occ2c1CCC2	EMOLS-id_318729873	303.303	SKGRTBGIFLEOFB-DZGCQCFKSA-N	00100010100000110000100010000000000000000000000000000000	25-01-062233
O=C(c1occ2c1CCC2)NC1CC1c1c(F)cccc1F	EMOLS-id_318632171	303.303	TVUYKVLRVAZVJV-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-062234
O=C(c1occ2c1CCC2)N[C@@H]1C[C@H]1c1cccc(c1F)F	EMOLS-id_318564883	303.303	DRYMTTSWPWQREH-GXTWGEPZSA-N	00100010100000110000100010000000000000000000000000000000	25-01-062235
O=C(c1occ2c1CCC2)N[C@@H]1C[C@H]1c1c(F)cccc1F	EMOLS-id_318725450	303.303	TVUYKVLRVAZVJV-BXUZGUMPSA-N	00100010100000110000100010000000000000000000000000000000	25-01-062236
s1c2CCCc2c(c1NC(=O)CNCC(F)(F)F)C#N	PC-id_78914938	303.303	KMMSHDJYKBOONE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062237
s1c2c(CCC2)c(c1NC(=O)C(N)(C(F)(F)F)C)C#N	PC-id_79805893	303.303	ZFBAAZGNLITQOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062238
CC(c1nnc2n1CCC2)Nc1scc(n1)C(F)(F)F	EMOLS-id_318201488	303.307	XJCQTAZFDDHHJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062239
CC(c1nnc(N)s1)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_208048136,MCULE-1964679536	303.307	YGTDZBLPHQGDQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062240
C=CC(=O)N(Cc1cc(F)cc(F)c1)c1cc2n(n1)CCC2	ZINC22_1875388933	303.307	VWYFUAZINZYGQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062241
C[C@H](c1nnc(N)s1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_675032512	303.307	YGTDZBLPHQGDQH-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062242
C[C@@H](c1nnc(N)s1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_675032514	303.307	YGTDZBLPHQGDQH-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062243
CCOc1cc(c(c(c1)F)Cn1c2c(CCC2)c(n1)C#N)F	SCHEMBL15531119,PC-id_90012705	303.307	YNXSIBDDXNJOCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062244
Cn1nc2c(c1NC(=O)/C=C/c1c(F)cccc1F)CCC2	ZINC22_58423740,PC-id_47777153	303.307	KEJAFVQLSAHCFV-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062245
COc1cc(F)c(Cn2nc3CCC(C)c3c2C#N)c(F)c1	EMOLS-id_330999999,MCULE-8821468780	303.307	AKMRGODHOBODCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062246
COc1cc(F)c(Cn2nc(C#N)c3C(C)CCc23)c(F)c1	MCULE-1113176381,EMOLS-id_331019253	303.307	AQQNTCRPYUJXEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062247
Fc1ccc(c(c1)F)[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCC2	EMOLS-id_318689084	303.307	VMSBVUQGTPBFAV-WCQYABFASA-N	00100010100000110001100010000000000000000000000000000000	25-01-062248
Fc1ccc(c(c1)F)[C@@H]1C[C@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_318444587	303.307	JJOWDNZQNMPZLM-SMDDNHRTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062249
Fc1ccc(c(c1)F)[C@@H]1C[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318727205	303.307	YCJVEGLDGHLWIY-GXTWGEPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062250
Fc1c(C=CC(=O)Nc2n(nc3c2CCC3)C)c(F)ccc1	MCULE-2698768967,EMOLS-id_33361519,PC-id_72047500	303.307	KEJAFVQLSAHCFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062251
FC(c1ncc(s1)CNCc1nnc2n1CCC2)(F)F	EMOLS-id_318655514,MCULE-9790997195	303.307	AHYCDIDUYDSOCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062252
FC(Cc1nnc(s1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318350167,MCULE-7431434847	303.307	AFZJVMLWAGLOKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062253
F[C@@H]1C[C@@H]1C(=O)c1nn2c(n1)[C@@H](C[C@@H]2Cc1ccccc1)F	SCHEMBL20867690,PC-id_138515879	303.307	OZWPKOYBLNPCRG-WUHRBBMRSA-N	00100010100000110001000010000000000000000000000000000000	25-01-062254
O=C(c1cnc2n1CCC2)N[C@@H]1C[C@H]1c1cccc(c1F)F	EMOLS-id_318744364	303.307	UHAUJRARORLCFY-CMPLNLGQSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062255
O=C(c1cnc2n1CCC2)N[C@@H]1C[C@H]1c1c(F)cccc1F	EMOLS-id_318715786	303.307	SKTNNHXHZNQMLV-BXKDBHETSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062256
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H]1c1cccc(c1F)F	EMOLS-id_318648606	303.307	CGPZCLLUJPUEBA-GXFFZTMASA-N	00100010100000110001100010000000000000000000000000000000	25-01-062257
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H]1c1c(F)cccc1F	EMOLS-id_318658753	303.307	NIDAGUKCFZIZRE-NOZJJQNGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062258
O=C(c1nn2c(c1)CCC2)NC1CC1c1c(F)cccc1F	EMOLS-id_318491648	303.307	MGZWNLGFQJGDJF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062259
O=C(c1nn2c(c1)CCC2)N[C@@H]1C[C@H]1c1cccc(c1F)F	EMOLS-id_318509516	303.307	RTPCHAYBJIVKID-WCQYABFASA-N	00100010100000110001100010000000000000000000000000000000	25-01-062260
O=C(c1nn2c(c1)CCC2)N[C@@H]1C[C@H]1c1c(F)cccc1F	EMOLS-id_318525111	303.307	MGZWNLGFQJGDJF-ZWNOBZJWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062261
O=C(c1n[nH]c2c1CCC2)NC1CC1c1c(F)cccc1F	EMOLS-id_99312903	303.307	UEJSNCSANOHTPN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062262
O=C(c1n[nH]c2c1CCC2)N[C@@H]1C[C@H]1c1c(F)cccc1F	EMOLS-id_100975519	303.307	UEJSNCSANOHTPN-NOZJJQNGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062263
O=C(Nc1n(C)nc2c1CCC2)/C=Cc1c(F)cccc1F	PC-id_97556556	303.307	KEJAFVQLSAHCFV-HJWRWDBZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062264
N#Cc1cc(CN(Cc2nnc3n2CCC3)C)c(cc1F)F	EMOLS-id_319696155	303.31	FPNAKAVIEKMRIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062265
N#Cc1cc(ccc1F)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288539	303.312	PSAGOJPYQZCCKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062266
N#Cc1ccc(c(c1)F)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104289159	303.312	KBUAITJIJXJIBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062267
C=C/C=CC(=C/C=C)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19718890	303.313	MHFCOEPEBZRMPY-AVYVKSFASA-N	00000010100000000001000010000000000000000000000000000000	25-01-062268
CCn1cc(CNC(=O)c2occ3c2CCC3)c(=O)[nH]c1=O	EMOLS-id_319305267	303.313	DGEGEMITVCAYQN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062269
CN(C(=O)c1cnn2c1CCC2)Cc1oc(c(c1)C(=O)O)C	EMOLS-id_320024127,MCULE-2567962853	303.313	GLXNCDVVUPBYEH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062270
COc1cc(CC(=O)N2CCn3c2ncc3)cc(c1O)OC	EMOLS-id_279043836	303.313	ROFZJDDAHWJXEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062271
OCCOc1cc(ccc1OC)C(=O)N1CCn2c1ncc2	EMOLS-id_279043833	303.313	GHRJKTGYSNWHOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062272
O=C(N1CCn2c1ncc2)c1cc(OC)c(OC)c(OC)c1	PC-id_12438606	303.313	DJMWBPHTNFKMEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062273
O=C(NCc1cnc2n1CCC2)COc1c(C)occc1=O	EMOLS-id_319938840,MCULE-2821068014	303.313	OIRKHKSFFDLOIO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062274
O=C(NCc1n[nH]c2c1CCC2)COc1c(C)occc1=O	EMOLS-id_318947530	303.313	NDTQFHFYKLDNBV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062275
OC(=O)C(Cc1nccn1C)NC(=O)c1occ2c1CCC2	EMOLS-id_318789810	303.313	WWBZJWAMWOIZKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062276
c1(C(=O)NCc2noc(C3CCCO3)n2)c2CCCc2[nH]n1	EMOLS-id_49894013,MCULE-8790680977,PC-id_77094442	303.316	PYXIJGYASKIVLG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062277
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2cocn2)n1	EMOLS-id_316328254,MCULE-6272787395	303.316	YBBVOTLQRAAVMK-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-062278
c1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC)c2CCCc2[nH]n1	MCULE-7969688811,EMOLS-id_323254461	303.316	TYLSFTGVQVFEPD-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-062279
Cc1cn(CC(=O)NCc2n[nH]c3c2CCC3)c(=O)[nH]c1=O	PC-id_77090845,EMOLS-id_49887811,MCULE-5955253071,ZINC22_215946448	303.316	AQMRYHIFYMOXJI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062280
Cc1noc(n1)C1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99557219	303.316	HLGVDVNFNGQWSE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062281
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1occc1C	SCHEMBL2915094,PC-id_68439470	303.316	KCFSPALEQVOJHH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062282
CCOc1nn2c(c1=C)nnc2C(N1C(=O)CC(C1=O)C)C	SCHEMBL13741624,PC-id_57604365	303.316	CCTDPWNNUKEGRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062283
COc1cc(ccc1[N+](=O)[O-])NC(c1nnc2n1CCC2)C	PC-id_75505980,MCULE-7161617708,EMOLS-id_49316047	303.316	NADCNWOMCQLCNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062284
COc1cc(C(=O)NCc2n[nH]c3c2CCC3)nc(OC)n1	EMOLS-id_36609656,PC-id_56757205,MCULE-8773740941,ZINC22_67921631	303.316	YKYKGNKTGOQHED-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062285
COc1ccnc(c1C(=O)NC1CC(n2c1ncn2)C)OC	EMOLS-id_316633136	303.316	RJLGQJVUVPMQGZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062286
COc1cc(N[C@@H](C)c2nnc3n2CCC3)ccc1[N+](=O)[O-]	ZINC22_97115245,PC-id_97827196	303.316	NADCNWOMCQLCNF-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-062287
COc1cc(N[C@H](C)c2nnc3n2CCC3)ccc1[N+](=O)[O-]	ZINC22_97115246,PC-id_97827197	303.316	NADCNWOMCQLCNF-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062288
COc1ncnc(c1C(=O)NCc1cnc2n1CCC2)OC	EMOLS-id_320206389,MCULE-2415669255	303.316	MJWUABMDUXNIQO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062289
COCCOc1ccc(cn1)NC(=O)N1CCn2c1ncc2	EMOLS-id_320042724,MCULE-7558989228	303.316	KCEXLFGBYFULFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062290
COC(=O)c1nn(c(c1)NC(=O)c1n(C)nc2c1CCC2)C	EMOLS-id_319572601	303.316	UKNJCQOGYCWXOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062291
O=c1[nH]nc(o1)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110356425	303.316	YTHRHTRPQYBFMV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062292
O=C(c1cn(C)c(=O)n(c1=O)C)NCc1cnc2n1CCC2	EMOLS-id_318946722	303.316	VXOFQKQJHBKFAL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062293
O=C(c1cnn2c1CCC2)N1CCC(CC1)c1n[nH]c(=O)o1	EMOLS-id_316535144,MCULE-7620780617	303.316	LDHGBKFBMPQTET-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062294
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)Cc1nocn1	EMOLS-id_318954892	303.316	SGJPHBFWKNRMAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062295
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)Cc1cocn1	EMOLS-id_320206451,MCULE-9640923952	303.316	SFPNZZXGQQQOJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062296
O=C(c1nn2c(c1)OCC2)Nc1ccnn1CC1COCC1	EMOLS-id_99542819	303.316	ZTYNCWBNWQJVAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062297
O=C(c1n[nH]c2c1CCC2)NC1(CCOCC1)c1nocn1	EMOLS-id_99412297	303.316	UDSGOPGMHVANBY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062298
O=C([C@H]1CCc2c[nH]nc12)N1CCC(c2nnc(O)o2)CC1	ZINC22_1875333028	303.316	VWTSJVKVANMSSI-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-062299
O=C([C@@H]1CCc2c[nH]nc12)N1CCC(c2nnc(O)o2)CC1	ZINC22_1875333029	303.316	VWTSJVKVANMSSI-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062300
O=C(NCc1noc([C@@H]2CCCO2)n1)c1n[nH]c2c1CCC2	PC-id_99948718,ZINC22_216227182	303.316	PYXIJGYASKIVLG-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-062301
O=C(NCc1noc([C@H]2CCCO2)n1)c1n[nH]c2c1CCC2	ZINC22_216227228,PC-id_99948721	303.316	PYXIJGYASKIVLG-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062302
O=C(N[C@H]1CCC[C@H]1Oc1cn[nH]c1)c1cc2n(n1)CCO2	ZINC22_1775958051,MCULE-5476599062,EMOLS-id_316117941	303.316	ZSESEHFKUCDZNP-CMPLNLGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062303
O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cc2n(n1)CCC2	EMOLS-id_316102587,MCULE-5355082946,ZINC22_685942967	303.316	YXGFBKDHUQRKDK-QWHCGFSZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062304
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1nnnn1C	MCULE-8180057105,EMOLS-id_337694392	303.32	OUHUFMYCXIQHHZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062305
Cn1nnnc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1	ZINC22_2100482652	303.32	OUHUFMYCXIQHHZ-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-062306
Cn1nnnc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1	ZINC22_2100482653	303.32	OUHUFMYCXIQHHZ-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062307
c12CN(Cc1nn(CC1CCCCC1)c2O)CC(F)(F)F	MCULE-2809647850,EMOLS-id_324338792	303.323	CXXKWCOHYGUCAY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062308
O=C(c1sc2c(c1)CCC2)c1cnc(s1)C(F)(F)F	PC-id_113876945	303.323	QNIBPKYHHHTFQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062309
s1c2CCCc2cc1C(=O)C(c1cc(F)cc(F)c1)C#N	PC-id_61496664	303.326	DCYUMFNDEMCTGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062310
s1c2CCCc2cc1C(=O)C(c1c(F)cc(F)cc1)C#N	PC-id_64560292	303.326	NNHCEPOYRIIDCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062311
c12CN(Cc1nn(CCF)c2C(=O)OC)Cc1ccccc1	MCULE-4806304518,EMOLS-id_324344173	303.331	ODFGGHXLLPWERS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062312
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2F)OC)n1	EMOLS-id_331034887,MCULE-4346479433	303.331	FHKVNJFENUDUFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062313
c1(C(=O)N)c2C(C)CCc2n(Cc2c(cccc2F)OC)n1	EMOLS-id_331036424,MCULE-9050664145	303.331	PXBCFIZZNNNHCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062314
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2OC)F)n1	EMOLS-id_331036680,MCULE-4456010673	303.331	ZLUXJZCEHSFHQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062315
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(F)c2OC)n1	MCULE-4784074099,EMOLS-id_331036936	303.331	DVBGWDDCSHWMAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062316
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(F)c2)OC)n1	MCULE-6230802526,EMOLS-id_331034631	303.331	UOGXXIXYIBBXHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062317
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(OC)c2F)n1	EMOLS-id_331037190,MCULE-2776061271	303.331	LXAJUYTZIAEZAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062318
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(OC)c2)F)n1	EMOLS-id_331037446,MCULE-5217836136	303.331	IHSHHPKSVZLVSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062319
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)ccc2OC)n1	EMOLS-id_331036168,MCULE-3838665648	303.331	OEIUYPLJWFKTCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062320
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(OC)ccc2F)n1	MCULE-9411157480,EMOLS-id_331036934	303.331	CKOZENGWCFTFGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062321
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(OC)cc(F)c2)n1	EMOLS-id_331037702,MCULE-8442098448	303.331	WACYCPNSDKAGRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062322
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1F)OC	EMOLS-id_331020976,MCULE-8268017210	303.331	KVFJKWJWPPGJBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062323
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1OC)F	MCULE-1784133759,EMOLS-id_331018674	303.331	MVUMVMNUBIPYOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062324
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(F)c1)OC	EMOLS-id_331020720,MCULE-7497011853	303.331	SPQASFHAZDOSDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062325
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(F)c1OC	MCULE-5535878731,EMOLS-id_331018930	303.331	SWANAOUUFFRTPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062326
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(OC)c1F	EMOLS-id_331019184,MCULE-2642879564	303.331	BUHSDGDMGQLQJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062327
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)F	MCULE-4739537670,EMOLS-id_331019440	303.331	UHXIODFLASPETI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062328
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)ccc1OC	EMOLS-id_331022257,MCULE-8238929235	303.331	QEDZWOPMIURDFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062329
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(OC)ccc1F	MCULE-4324830833,EMOLS-id_331018928	303.331	NRGKVXIQFPHWHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062330
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(OC)cc(F)c1	EMOLS-id_331019696,MCULE-5514630947	303.331	KQPUYXSONOSWHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062331
CC(C(c1ccc(cc1)F)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_112363495	303.331	CGKRRNKBWUAWOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062332
CCOc1c(F)cccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319309235	303.331	KGJUCMVNFWHRHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062333
CN(Cc1oc2c(n1)CN(C2)C(=O)Cc1cccc(c1)F)C	PC-id_97406059	303.331	OTRZXQNNAVZYHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062334
COc1ccc(cc1CC(=O)NCc1cnc2n1CCC2)F	MCULE-3654307618,EMOLS-id_320296316	303.331	WANALWKXNITXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062335
COc1ccc(cc1CC(=O)NCc1n[nH]c2c1CCC2)F	MCULE-6646029479,EMOLS-id_320158827	303.331	YHZPTEJZSUIWIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062336
COc1ccc(cc1C(NC(=O)c1nn2c(c1)CCC2)C)F	EMOLS-id_177279725,MCULE-9168440761	303.331	MFXVLOFCNUDBJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062337
COc1ccc(cc1F)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_319390009	303.331	UMXXKYIYSNKIOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062338
COc1ccc(cc1F)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320009016,MCULE-7223514349	303.331	WRUFXNDWJSWOQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062339
COc1cccc(F)c1Cn1nc2CCC(C)c2c1C(=O)N	EMOLS-id_331018418,MCULE-5570050576	303.331	WUUXJJBPMQULSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062340
COc1ccc(F)cc1[C@H](C)NC(=O)c1cc2n(n1)CCC2	ZINC22_294452943	303.331	MFXVLOFCNUDBJV-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-062341
COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc2n(n1)CCC2	ZINC22_294452949	303.331	MFXVLOFCNUDBJV-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062342
COC(c1ccc(cc1)F)C(=O)NCc1cnc2n1CCC2	MCULE-9239093457,EMOLS-id_319971705	303.331	YSBNNDLNADOSCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062343
COC(C(=O)Nc1n(C)nc2c1CCC2)c1ccc(cc1)F	EMOLS-id_318632361	303.331	YJOYIMMINCWPHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062344
Fc1ccc(cc1)C(CNC(=O)c1n[nH]c2c1CCC2)(O)C	PC-id_109876003	303.331	FMZYCFISYPKDMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062345
Fc1ccc(cc1)C(C(=O)NCc1cnc2n1CCC2)(O)C	EMOLS-id_319783145	303.331	BKOPRHFMJBFAAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062346
Fc1ccc(cc1)C(C(=O)NCc1n[nH]c2c1CCC2)(O)C	EMOLS-id_319725060	303.331	FNODOZDHKILICT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062347
O=C(CC(c1cccc(c1)F)O)NCc1cnc2n1CCC2	MCULE-7955691239,EMOLS-id_320038164	303.331	WURZYJGAZYGECL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062348
OCC(NC(=O)c1cnc2n1CCC2)Cc1ccc(cc1)F	EMOLS-id_318312806	303.331	CQOIELDZBXTBLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062349
OCC(NC(=O)c1nn2c(c1)CCC2)Cc1ccc(cc1)F	EMOLS-id_318338106	303.331	XIAGUKQDUGPWPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062350
O=C(C(Oc1ccc(cc1)F)C)NCc1cnc2n1CCC2	EMOLS-id_319863228,MCULE-9479791723	303.331	IDUGBBNFPUTJST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062351
O=C(C(Oc1ccccc1F)C)NCc1cnc2n1CCC2	MCULE-4344769923,EMOLS-id_320190415	303.331	HSDYVLGCHVYMTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062352
O=C(C(Oc1ccc(cc1)F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318907764	303.331	NSNXJHVICGYMDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062353
S1c2n(CC1)cc(n2)CNCc1onc(n1)c1occc1	PC-id_50968270	303.34	FTTWOCYMDOCRPK-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-062461
O=C(C(Oc1ccccc1F)C)NCc1n[nH]c2c1CCC2	MCULE-2498246894,EMOLS-id_319963647	303.331	INXJRMNMYWCYHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062354
O=C(NCc1cnc2n1CCC2)COc1cc(C)ccc1F	EMOLS-id_320120795,MCULE-8818959021	303.331	VOHYNYTYTNDFEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062355
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)O	PC-id_776611,MCULE-2791050586	303.333	NTDQBZBUYUVNCW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-062356
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1O)C(=O)O	PC-id_104832716	303.333	RROIPRLVKCCBJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062357
O=C(c1sc2c(c1)CCC2)Nc1cc(ccc1O)C(=O)O	PC-id_107264738	303.333	JWPRFIVCYMEFHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062358
O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)O)CCC2	TIMTEC342023,ChEMBL-DNDi_CHEMBL1606809,PC-id_776612,CHEMBL1606809,CK1944251,CoCoCo_715006,ZINC22_266484	303.333	NTDQBZBUYUVNCW-VOTSOKGWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-062359
O=C(Nc1sc2c(c1C(=O)O)CCC2)/C=Cc1ccco1	CoCoCo_715007	303.333	NTDQBZBUYUVNCW-SREVYHEPSA-N	00000010101000000000000010000000000000000000000000000000	25-01-062360
OC(=O)c1cc2CN(Cc2s1)C(=O)OCc1ccccc1	MCULE-1935859405,EMOLS-id_207613877	303.333	UIJPRBLXQHBXQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062361
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2	PC-id_4241097,CoCoCo_2840922,MCULE-5288714601,ZINC22_5308588,EMOLS-id_43696762	303.333	MEKAGUUBFHSZPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062362
s1c2CCCc2cc1C(=O)Nc1cc(c(O)cc1)C(=O)O	PC-id_29779618	303.333	UHOGDKVGFSDANF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062363
s1c2CCCc2cc1C(=O)Nc1c(cc(O)cc1)C(=O)O	PC-id_61406156	303.333	HLLPBVLWPWHCDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062364
s1c2CCCc2cc1C(=O)Nc1cc(O)c(cc1)C(=O)O	PC-id_29039389	303.333	BWGOPOBOGGBARE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062365
s1c2CCCc2cc1C(=O)Nc1c(O)cc(cc1)C(=O)O	PC-id_60825482	303.333	FVHCUIVWJQTNSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062366
s1c2CCCc2cc1C(=O)OCc1cc([N+](=O)[O-])ccc1	PC-id_3962864	303.333	DSMLZYADPIFZBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062367
s1c2CCCc2cc1C(=O)OCc1c([N+](=O)[O-])cccc1	PC-id_45637912	303.333	LTKWTEYSUXQYNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062368
s1c2c(CCC2)c(c1NC(=O)c1ccc(O)cc1)C(=O)O	PC-id_43328016	303.333	YFBLTOHDKOFIMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062369
s1c2c(CCC2)c(c1NC(=O)c1cc(O)ccc1)C(=O)O	PC-id_43328020	303.333	IKACPHZSTXMFFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062370
s1c2c(CCC2)c(c1NC(=O)c1c(O)cccc1)C(=O)O	PC-id_43145451	303.333	ATTNQPDLBMZPKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062371
s1c2c(CCC2)c(c1NC(=O)Oc1ccccc1)C(=O)O	PC-id_43328040	303.333	BWFKNLCTHBFFCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062372
CC1CC(c2n1ncn2)NCCNC(=O)c1ccc(cc1)F	EMOLS-id_279082174	303.335	WSDMNJGSVIDAEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062373
Cc1ccc(c(c1)F)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318499576	303.335	DHCPZOFIQPUXQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062374
Cc1cc(cc(c1)F)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318627726	303.335	NGTNKRWBKYYRPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062375
Cc1ccc(c(c1)NC(=O)N(Cc1nnc2n1CCC2)C)F	EMOLS-id_318491498	303.335	SHLBDHARGHRLJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062376
Cc1ccc(CNC(=O)NCc2nnc3n2CCC3)cc1F	PC-id_30886380,CoCoCo_4574132,EMOLS-id_44042654,ZINC22_23174696,MCULE-5868347921	303.335	XDCCAWRANJGONT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062377
CCc1cc(ccc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319383251	303.335	XSNASXCTUFHUBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062378
CC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ccc1F	PC-id_143732541	303.335	PQNZDSJHDSTCFO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062379
Cn1nc2c(c1N)CN(C(=O)NCCc1ccc(F)cc1)C2	EMOLS-id_177327706,MCULE-1025290694,ZINC22_585138379	303.335	LQXLTNROWWGDQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062380
CNc1ccc(cc1F)C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318182812,MCULE-2813762116	303.335	XDJJBBCXGYBAKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062381
CN(Cc1ccc(F)cc1)C(=O)NCc1nnc2n1CCC2	PC-id_52380255,ZINC22_55077802,EMOLS-id_36627168,MCULE-4231567951	303.335	VJWAKIJIMIDXOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062382
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccncc1F)C)C	PC-id_97405274	303.335	BUPUSVQKQRKEOY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062383
CN(C(=O)Nc1c(C)cccc1F)Cc1nnc2n1CCC2	EMOLS-id_318623141	303.335	NQVFZDQVIXMMCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062384
Fc1ccc(cc1)CNC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318572704	303.335	QGJSRGBCXNSRBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062385
Fc1ccc(c(c1)C)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318634800	303.335	PYZZACRFKVPYLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062386
Fc1cccc(c1)CNC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318750597	303.335	WUDPLNSEUNSSGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062387
Fc1ccc(cc1)N(C(=O)NC(c1nnc2n1CCC2)C)C	EMOLS-id_317926605	303.335	SDYKKXWAVGRXHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062388
Fc1ccc(c(c1)NC(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_318517648	303.335	HDCINOBZXIGBPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062389
O=C(N(Cc1nnc2n1CCC2)C)Nc1ccc(c(c1)C)F	EMOLS-id_318463570	303.335	LDZCOPGNKFVLTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062390
O=C(N(Cc1nnc2n1CCC2)C)Nc1cccc(c1C)F	EMOLS-id_318711514	303.335	UJFSZXIQGIAZPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062391
O=C(N(Cc1nnc2n1CCC2)C)Nc1ccc(c(c1)F)C	EMOLS-id_318560316	303.335	INYKVNUDSBQDGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062392
O=C(N(Cc1nnc2n1CCC2)C)Nc1cccc(c1F)C	EMOLS-id_318659057	303.335	UPPCHGNYRMNLGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062393
C1Cc2c(C1)sc(c2)C(=O)NNC(=O)c1cc[n+](cc1)[O-]	PC-id_135957796,EMOLS-id_33331873	303.336	RLSDTSFDGYOOFI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-062394
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_5382965,CoCoCo_6596521,ZINC22_340227,TIMTEC135851,SPECS-id_AG-205/37179089,PC-id_822711,MCULE-9733820827,CHEMBL1373862	303.336	DXGVXPRQBVQIDT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062395
c1(NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)n1	PC-id_4292364,EMOLS-id_181475572,MCULE-3616203636	303.336	VROXAVHIMCEIIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062396
c1(sc2c(CCC2)n1)NC(=O)c1cccc(c1C)N(=O)=O	MCULE-7373091905,PC-id_4059448,EMOLS-id_181476940	303.336	WYWXGTCHUQLACA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062397
Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1nc2CCCc2s1	ZINC22_2728722,PC-id_3452593,CoCoCo_4164040,MCULE-3274582923,EMOLS-id_3992692	303.336	HPUSZXUPCALIQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062398
Cc1cccc(C(=O)Nc2nc3c(s2)CCC3)c1[N+](=O)[O-]	CoCoCo_4164153,ZINC22_6524696,PC-id_3657428,MCULE-2591552565,EMOLS-id_21277080	303.336	OFGFGBVIGLHBFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062399
Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-]	CoCoCo_4164216,ZINC22_6520591,MCULE-7009441041,PC-id_4096416,EMOLS-id_17194244	303.336	UZBACBWFGXOLJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062400
CCc1nc2s/c(=Cc3ccc(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324842725	303.336	QMDBTRJGLRBNGO-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062401
CCOc1cc(/C=c/2sc3nc(C)nn3c2=O)ccc1O	EMOLS-id_324840428	303.336	ATWPFXIDJMBUPD-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062402
CCOc1ccc(C=c2sc3ncnn3c2=O)cc1OC	EMOLS-id_300094526,ZINC22_254559052,MCULE-5052315194	303.336	UZHOGJDWEFTYML-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062403
CCOc1ccc(/C=c/2sc3ncnn3c2=O)cc1OC	EMOLS-id_9063316,ZINC22_16733097,ChEMBL-DNDi_CHEMBL5629-0615	303.336	UZHOGJDWEFTYML-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062404
CCOc1ccc(/C=c/sc3ncnn3c2=O)cc1OC	ZINC22_208365	303.336	UZHOGJDWEFTYML-KPKJPENVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062405
CCOc1cccc(/C=c/2sc3nc(C)nn3c2=O)c1O	EMOLS-id_324839407	303.336	XIWCHGZRWCKCGI-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062406
COc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1OC	EMOLS-id_324839404	303.336	YYSFTKSQDWFFFY-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062407
COc1ccc(/C=c/2sc3nnc(C)n3c2=O)c(OC)c1	ZINC22_9187949	303.336	CODMJJXDPIXTQK-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-062408
COc1cccc(/C=c/2sc3nc(C)nn3c2=O)c1OC	EMOLS-id_324840943	303.336	RFSSAFQTXVRPKP-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062409
COc1cccc(/C=c/sc3nc(C)nn3c2=O)c1OC	EMOLS-id_50232494,STOCK7S-50834	303.336	RFSSAFQTXVRPKP-YRNVUSSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062410
COc1ccc(OC)c(/C=c/2sc3nc(C)nn3c2=O)c1	EMOLS-id_324841199	303.336	WGFZQYOABDSBPI-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062411
COc1cc[nH]c1/C=C/1C(=O)Nc2c1cc(s2)CC(=O)N	PC-id_139979576	303.336	JXVUSNGDXGSVGN-VURMDHGXSA-N	00000010110000000000000010000000000000000000000000000000	25-01-062412
COCc1nc2s/c(=Cc3ccccc3OC)/c(=O)n2n1	EMOLS-id_324901889	303.336	SYXCIHRCLFIHGC-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062413
COCc1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324901894	303.336	KPOKJVOFDRGUNW-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062414
COCc1nc2s/c(=Cc3cccc(OC)c3)/c(=O)n2n1	EMOLS-id_324898818	303.336	FMNUUVMLXUBMLK-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062415
COCc1nc2s/c(=Cc3ccc(OC)cc3)/c(=O)n2n1	EMOLS-id_324900352	303.336	AYSAFBXGSVTLOJ-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062416
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COC	MCULE-5535836486	303.336	SYXCIHRCLFIHGC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062417
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)C	MCULE-6446029919	303.336	WGFZQYOABDSBPI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062418
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)COC	MCULE-6152183971	303.336	KPOKJVOFDRGUNW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062419
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COC	MCULE-2113545428	303.336	FMNUUVMLXUBMLK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062420
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)C	MCULE-1969293237,PC-id_91640842	303.336	RFSSAFQTXVRPKP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062421
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)C	MCULE-6927294608	303.336	XIWCHGZRWCKCGI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062422
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)COC	MCULE-9708475710	303.336	AYSAFBXGSVTLOJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062423
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)C	MCULE-7450160940	303.336	YYSFTKSQDWFFFY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062424
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CC	MCULE-7130924806	303.336	QMDBTRJGLRBNGO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062425
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)C	MCULE-3983123301	303.336	ATWPFXIDJMBUPD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062426
Nc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1[N+](=O)[O-]	MCULE-1131383954,CoCoCo_3760995,PC-id_4060156,EMOLS-id_48977297,ZINC22_4868607	303.336	ZNCBOICKZCGTCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062427
NC(=O)c1ccc(cc1)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_104287545	303.336	DNXSYCQEZUWWCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062428
NC(=O)c1cccc(c1)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_107810533	303.336	YYEZQYKXBABCOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062429
O=C(c1sc2c(c1)CCC2)NNc1ccccc1[N+](=O)[O-]	MCULE-6857197052,PC-id_53531776,EMOLS-id_36622958	303.336	GTAKDWCAHPLABR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062430
O=C(c1sc2c(c1)CCC2)NNC(=O)c1cccnc1O	MCULE-9940463820,CoCoCo_3870364,PC-id_8123256,EMOLS-id_16766244,CoCoCo_3870363	303.336	WBACFAUIBBGFEW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-062431
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCC2	MCULE-7477117227,ZINC22_6526682,PC-id_4141426,EMOLS-id_48207975	303.336	ULKYXCKFIPUFNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062432
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ncccn1	MCULE-2619502447,CoCoCo_2840742,EMOLS-id_3673854,ZINC22_8429161,PC-id_16313210	303.336	OESINIKJQWRQQE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062433
s1c2CCCc2cc1C(=O)/N=N/C(=C1C=CN(O)C=C1)O	PC-id_27163431	303.336	HGSQILDOBDANTM-FOCLMDBBSA-N	00000010100011001000000010000000000000000000000000000000	25-01-062434
s1c2CCCc2cc1C(=O)NNC(=O)C1C=CC=NC1=O	PC-id_78609348	303.336	LEPVCTRDVXLHFB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-062435
s1c2CCCc2cc1C(=O)NNC(=O)C1C=CC(=O)N=C1	PC-id_78609347	303.336	AKUVXGGOJCVUSK-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-062436
s1c2CCCc2cc1C(=O)NNC(=O)c1c[nH]c(=O)cc1	PC-id_8123255	303.336	LOMLCCISWWJEJL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-062437
s1c2CCCc2c(c1NC(=O)CN1C(=O)CCC1=O)C#N	PC-id_4062414	303.336	XFVGDIHPCHFRGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062438
s1c2CCCc2nc1NC(=O)c1nc(c(cc1)C(=O)O)C	PC-id_61510380	303.336	HBOGTMZPRJHXHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062439
s1c2CCCc2nc1NC(=O)Nc1cc(ccc1)C(=O)O	PC-id_61509873	303.336	CAEMFVQSWHWDOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062440
s1c2CCCc2nc1NC(=O)Nc1c(cccc1)C(=O)O	PC-id_61510039	303.336	FEGWQUDTTPLIPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062441
s1c2CCCc2nc1NC(=O)Nc1ccc(cc1)C(=O)O	PC-id_61510040	303.336	YKPPDKFGQXTJDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062442
s1c2CNCc2nc1NC(=O)c1ccc(OC(=O)C)cc1	PC-id_82194031	303.336	LZCHCLHRQNCOSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062443
s1c2CN(Cc2nc1N)C(=O)c1ccc(OC(=O)C)cc1	PC-id_82194144	303.336	HCRZYGRLTQDCNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062444
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCCO	PC-id_59043161	303.336	FSUAWTBZUGCQKY-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-062445
S1Cc2c(noc2NC(=O)c2ccc(NC(=O)C)cc2)C1	PC-id_49720056	303.336	JELGUYYSHFCQJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062446
S1Cc2c(noc2NC(=O)CNC(=O)c2ccccc2)C1	PC-id_49718998	303.336	ZWMUQKCMGLGPGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062447
S1C(C(=O)n2c1nnc2)C=Cc1cc(OC)c(OC)cc1	PC-id_18891881	303.336	DNOZXVQZOUWODH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062448
S1C(C(=O)n2c1nnc2)C=Cc1c(OC)ccc(OC)c1	PC-id_18891883	303.336	FJWWAKBMVKFBEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062449
S1C(C(=O)n2c1nnc2)C=Cc1c(OC)cc(OC)cc1	PC-id_18891882	303.336	TUCIBWOKQHWHAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062450
c12NC(=O)C(CC(=O)Nc3ccccc3)n1nc(SC)n2	MCULE-2329877915,EMOLS-id_17099179,PC-id_135629956,STOCK6S-46126	303.34	NXRZMHRBBWQFSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062451
C1c2c(CN1C(=O)N)[nH]nc2NC(=O)C=Cc1cscc1	PC-id_87455192,SCHEMBL2916729,SCHEMBL2916726	303.34	GETCNYUZMAVFTK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062452
c1(cn2c(scc2)n1)C(=O)N1Cc2c(n(nc2)CCO)C1	ZINC22_91656710,MCULE-7742523695,EMOLS-id_44723494,PC-id_70746813	303.34	CMJASTHTLHJWRZ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-062453
c1(NC(=O)CNC(=O)c2cnccn2)sc2c(CCC2)n1	EMOLS-id_43040214,ZINC22_72405125,EMOLS-id_46566381,MCULE-1570335637,PC-id_60179053,STOCK7S-29136	303.34	FZYRPNPESFUWKI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062454
CSc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1)C(=O)N2	PC-id_135924953,ZINC22_13689985	303.34	NXRZMHRBBWQFSS-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062455
CSc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1)C(=O)N2	PC-id_135924954,ZINC22_13689986	303.34	NXRZMHRBBWQFSS-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-062456
N#Cc1c(NC(=O)c2noc(c2)C(C)C)nc2n1CCS2	EMOLS-id_98299374	303.34	CNWCSCOAZLVXBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062457
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)/C=Cc1cccs1	SCHEMBL2923256	303.34	MPHPNJYRMSDGDW-ARJAWSKDSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062458
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)/C=Cc1cscc1	SCHEMBL2916721	303.34	GETCNYUZMAVFTK-UPHRSURJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062459
O=C(Nc1n[nH]c2c1CN(C2)C(=O)N)C=Cc1cccs1	SCHEMBL2923258,PC-id_68442326	303.34	MPHPNJYRMSDGDW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062460
Fc1cccc(c1C1(CCC1)CNC1CCn2c1ncc2)F	EMOLS-id_318219352,MCULE-6224748688	303.35	RKHOTRDTDIAHCQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-062462
Fc1cc(cc(c1)F)C1CC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318210224,MCULE-2736932496	303.35	SMVISMUXERQLMI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-062463
Fc1ccc(c(c1)F)C1(CCC1)NC1CC(n2c1ncc2)C	MCULE-3334885656,EMOLS-id_318592515	303.35	GEGVRKBQIKLEDY-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-062464
Fc1ccc(c(c1)F)C1(CCC1)NCc1cnc2n1CCC2	EMOLS-id_318395795,MCULE-7592042407	303.35	IKOVBJSOPVFUNZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-062465
Fc1ccc(c(c1)F)C1(CNC2CC(n3c2ncc3)C)CC1	MCULE-6017873768,EMOLS-id_318232303	303.35	LOZWPFFLPPWGBE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062466
c1(NC(=O)C=Cc2ccc(cc2)F)n(C)nc2CSCc12	MCULE-9766977950	303.355	RGNMRCJPXOSKIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062467
CCCc1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324845798	303.355	AMJLRIMPWVMQJU-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062468
CC(C)c1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324847855	303.355	ACWPLJYCFQKKPH-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062469
CC(C)(C)c1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324853474	303.355	QTKASRWNPHOGFO-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062470
CC(C)Cc1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324855535	303.355	QYPHROBVGIKMLM-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062471
CC(C)(C)c1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324850405	303.355	DKKORZJXOCWALP-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062472
CC(C)Cc1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324860641	303.355	YKAHDBVDRIEFCB-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062473
CC(C)(C)c1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324852450	303.355	SKJDKXVNHWNARE-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062474
CC(C)Cc1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324854511	303.355	HGJXFIAEJLENHY-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062475
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccc(F)cc1	EMOLS-id_334564793	303.355	RGNMRCJPXOSKIB-QPJJXVBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062476
n12c(=O)c(=Cc3ccccc3F)sc1nc(C(C)(C)C)n2	MCULE-2305605642	303.355	QTKASRWNPHOGFO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062477
n12c(=O)c(=Cc3ccc(cc3)F)sc1nc(C(C)(C)C)n2	MCULE-8876950355	303.355	SKJDKXVNHWNARE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062478
n12c(=O)c(=Cc3ccc(c(C)c3)F)sc1nc(C(C)C)n2	MCULE-3428553729	303.355	ACWPLJYCFQKKPH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062479
n12c(=O)c(=Cc3cccc(F)c3)sc1nc(C(C)(C)C)n2	MCULE-3630152544	303.355	DKKORZJXOCWALP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062480
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CC(C)C	MCULE-2499418041	303.355	QYPHROBVGIKMLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062481
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CC(C)C	MCULE-3757360557	303.355	HGJXFIAEJLENHY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062482
n12nc(nc1sc(=Cc1ccc(c(C)c1)F)c2=O)CCC	MCULE-7161346264	303.355	AMJLRIMPWVMQJU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062483
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CC(C)C	MCULE-1933129061	303.355	YKAHDBVDRIEFCB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062484
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)C)C(=O)O	PC-id_64035297	303.355	YATCXVRNVRLQRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062485
S1(=O)(=O)N(CCCC2OCCO2)C(=O)c2c1csc2	PC-id_49875032	303.355	GCCWJSXBCKAETK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062486
S1(=O)(=O)N(CCCC2OCCO2)C(=O)c2sccc12	PC-id_49874976	303.355	GHQNFRRATFMMKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062487
c12CN(Cc1n(nc2)CCO)CCOc1cccc(OC)c1	EMOLS-id_55633698,ZINC22_244898941,PC-id_91832949,MCULE-5770650421	303.356	ZEHIISXAUAUKIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062488
Cc1oc(c(c1)C(CNC(=O)c1n[nH]c2c1CCC2)(O)C)C	PC-id_111479257	303.356	MVVLBYPIGTUVQA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062489
CCc1ccc([C@@H](COC)NC(=O)c2cnn3c2CCC3)o1	ZINC22_294975699	303.356	RHTHGIPKZXEARQ-CYBMUJFWSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062490
CCc1ccc([C@H](COC)NC(=O)c2cnn3c2CCC3)o1	ZINC22_294975703	303.356	RHTHGIPKZXEARQ-ZDUSSCGKSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062491
CCOC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109422	303.356	SLRVTWSOCQGPJR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062492
COCC(c1ccc(o1)CC)NC(=O)c1cnn2c1CCC2	MCULE-1475185788,EMOLS-id_316911703	303.356	RHTHGIPKZXEARQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062493
COCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109326	303.356	BYBGVLZUWQVRIA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062494
O=C(c1nn2c(c1)OCC2)NC1CCCC23C1CC2CCO3	EMOLS-id_319143732	303.356	ILRNOLIDZICBHV-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-062495
s1c(NC(=O)C2C(C2C(=O)[O-])(C)C)c(c2c1CCC2)C#N	PC-id_75949774	303.356	ZCSQDGAYQDGGTR-UHFFFAOYSA-M	00100010100000000000000010000000000000000000000000000000	25-01-062496
s1c(NC(=O)[C@H]2C([C@H]2C(=O)[O-])(C)C)c(c2c1CCC2)C#N	PC-id_52902617	303.356	ZCSQDGAYQDGGTR-WDEREUQCSA-M	00100010100000000000000010000000000000000000000000000000	25-01-062497
s1c(NC(=O)[C@@H]2C([C@H]2C(=O)[O-])(C)C)c(c2c1CCC2)C#N	PC-id_52902619	303.356	ZCSQDGAYQDGGTR-GHMZBOCLSA-M	00100010100000000000000010000000000000000000000000000000	25-01-062498
s1c(NC(=O)[C@H]2C([C@@H]2C(=O)[O-])(C)C)c(c2c1CCC2)C#N	PC-id_52902621	303.356	ZCSQDGAYQDGGTR-QWRGUYRKSA-M	00100010100000000000000010000000000000000000000000000000	25-01-062499
s1c(NC(=O)[C@@H]2C([C@@H]2C(=O)[O-])(C)C)c(c2c1CCC2)C#N	PC-id_52902623	303.356	ZCSQDGAYQDGGTR-MNOVXSKESA-M	00100010100000000000000010000000000000000000000000000000	25-01-062500
CS(=O)(=O)N1CC(C1)C(=O)Nc1onc2CSCc12	PC-id_90513258,MCULE-4079712977,EMOLS-id_324184203,ZINC22_70817939	303.358	LJCBRVWEHKWDDH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-062501
O=C(Nc1n[nH]c2CCCc12)c1ccc(cc1)c1ccccc1	PC-id_9922473	303.358	GVYPXEWQEJLRIM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-062502
s1c2CCCc2c(c1N=Cc1sc([N+](=O)[O-])cc1)C#N	PC-id_23735392	303.359	XNYDEHQLTFWCFK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062503
c12CN(Cc1n(nc2)CCO)Cc1noc(C2CCCC2)n1	PC-id_91832564,ZINC22_252493432,MCULE-4455576483,EMOLS-id_55631052	303.36	NBVJFPIFGAIELX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062504
c1(cc(n[nH]1)CC(C)C)C(=O)N1Cc2c(n(nc2)CCO)C1	EMOLS-id_55665633,ZINC22_244734321,MCULE-7483513150,PC-id_91837555	303.36	NDIDIBPYFHZZJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062505
c1(CN(C)Cc2cnn(CCC(=O)O)c2)c2CCCc2[nH]n1	ZINC22_97619602,MCULE-6799634747,PC-id_74241704,EMOLS-id_49662568	303.36	MPVBCSURMLOKEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062506
c1(cn(nc1C)CCC)C(=O)N1Cc2c(n(nc2)CCO)C1	MCULE-5309134193,PC-id_56748697,EMOLS-id_36589526,ZINC22_67871729	303.36	RENSXUJYTHERNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062507
CC1CC(c2n1ncn2)NCCCNC(=O)c1occc1C	EMOLS-id_279083863	303.36	SWUOUPRKDSZMAH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062508
Cc1ccc([C@@H](C)NC(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_48364160,PC-id_94183671	303.36	UFYSKMDHPHAWOB-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062509
Cc1ccc([C@H](C)NC(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_48364162,PC-id_94183672	303.36	UFYSKMDHPHAWOB-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-062510
Cc1nn(CC(=O)N2Cc3cnn(CCO)c3C2)c(C)c1C	EMOLS-id_49873046,MCULE-3917557609,PC-id_77082345,ZINC22_215260928	303.36	JDELUECVLSYRLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062511
Cc1noc(C)c1CCC(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_31936714,MCULE-5366365865,ZINC22_44934887,PC-id_45819264	303.36	SEDIRMFPKCRRDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062512
Cc1noc(C)c1CCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_94018284,ZINC22_44896719	303.36	PVXHWLIOBVUXCZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-062513
Cc1noc(C)c1CCC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_94018285,ZINC22_44896721	303.36	PVXHWLIOBVUXCZ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062514
CCc1nccn1CCCNC(=O)c1nn2CCOc2c1C	PC-id_91959916	303.36	UGAZJLHSHZOMGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062515
CC(Cc1ccco1)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_35720386,MCULE-9393157351,PC-id_53499851	303.36	YTFKGOUDPFQYEJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062516
CC(C)(C)c1cc(C(=O)NCCc2nnc3n2CCC3)no1	EMOLS-id_313168132,ZINC22_572571371,MCULE-9625812864	303.36	KUQGJPIVZBRKIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062517
CC(C)[C@H](NC(=O)NCc1ccco1)c1nnc2n1CCC2	PC-id_95351342,ZINC22_70014317	303.36	AJCZWDSSGBHEOK-ZDUSSCGKSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062518
CC(C)[C@@H](NC(=O)NCc1ccco1)c1nnc2n1CCC2	PC-id_95351343,ZINC22_70014321	303.36	AJCZWDSSGBHEOK-CYBMUJFWSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062519
CC(CC(n1nccc1NC(=O)c1nn2c(c1)OCC2)C)C	EMOLS-id_99754981	303.36	ZLJZDZMOEZFHBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062520
C[C@H](Cc1ccco1)NC(=O)N(C)Cc1nnc2n1CCC2	PC-id_95124321,ZINC22_65393072	303.36	YTFKGOUDPFQYEJ-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062521
C[C@@H](Cc1ccco1)NC(=O)N(C)Cc1nnc2n1CCC2	ZINC22_65393070,PC-id_95124320	303.36	YTFKGOUDPFQYEJ-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-062522
CCOCn1nc(c(c1C)CC(=O)N1CCn2c1ncc2)C	EMOLS-id_319072912	303.36	CMPJEFNSKXOTQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062523
Cn1cc(O[C@@H]2COC[C@@H]2NCc2cnn3c2CCC3)cn1	MCULE-4698212820,EMOLS-id_316092907,ZINC22_862496173	303.36	PZPIPXDHFZEZKX-DZGCQCFKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062524
CN(C)C(=O)NCc1nn(C)c2c1CN(Cc1ccoc1)C2	PC-id_97519191,ZINC22_96259102,EMOLS-id_44369752	303.36	AHKKAJZNXSSSSH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062525
COCCOc1ccc(cn1)CNC1CC(n2c1ncn2)C	EMOLS-id_319870614,MCULE-3034106736	303.36	RNWHENIKMUMRNT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062526
o1c(C(NC(=O)N(Cc2n3CCCc3nn2)C)C)ccc1C	MCULE-6953970293,PC-id_53499328,EMOLS-id_35717568	303.36	UFYSKMDHPHAWOB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062527
O=C1N(CC2CC2)CC(C1)C(=O)NCc1n2CCCc2nn1	EMOLS-id_35701030,PC-id_53505970,MCULE-9234753272	303.36	MYSPTBDZKGYANI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062528
O=C(c1cc2n(n1)CCO2)N(Cc1n[nH]c(c1)C(C)(C)C)C	EMOLS-id_318636559	303.36	CWIVELQEOHRDDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062529
O=C(C1CCCN1C(=O)NC1CCn2c1ncc2)NC1CC1	EMOLS-id_318982626	303.36	QYBKWIJUAACQKF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062530
O=C(C1NCc2c1c[nH]n2)N1CCCC(C1)N1CCCC1=O	EMOLS-id_318957976	303.36	AYDANJUWDSOLMX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062531
O=C(COc1c(C)nn(c1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318949234	303.36	ZTDSPAKINLROBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062532
O=C(N1Cc2n(ncc2C1)CCO)CCn1c(ncc1)CC	PC-id_56756276	303.36	MENMZKLNIHOXMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062533
O=C(N1CCN(C(=O)C1)C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101417142	303.36	HHKVFZWVTKVCPL-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-062534
O=C(NC(c1n2CCCc2nn1)C)CCc1c(onc1C)C	EMOLS-id_31875236,PC-id_45804922,MCULE-2539258192	303.36	PVXHWLIOBVUXCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062535
O=C(NC(c1n2CCCc2nn1)C(C)C)NCc1occc1	EMOLS-id_36704498,MCULE-1844431750,PC-id_53624830	303.36	AJCZWDSSGBHEOK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-062536
O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(CC2CC2)C1	PC-id_94097697,ZINC22_46329940	303.36	MYSPTBDZKGYANI-LLVKDONJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062537
O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(CC2CC2)C1	PC-id_94097698,ZINC22_46329942	303.36	MYSPTBDZKGYANI-NSHDSACASA-N	00100010100000000001000010000000000000000000000000000000	25-01-062538
O=C(OC(C)(C)C)Nc1cnn(c1)Cc1nn2c(c1)CCC2	EMOLS-id_318707992	303.36	XRGOQQRDLQGHII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062539
c1(C(C)NC(=O)N(C)Cc2c3CCCc3[nH]n2)nncn1C	PC-id_121502061,MCULE-5909364070,EMOLS-id_177419272	303.363	FJAWBSXTEIBOFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062540
CCCc1cc(n(n1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319837742	303.363	XVBLPDDTBTTWOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062541
CC(Cn1cccn1)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_45754142,PC-id_71893146,MCULE-4994036725	303.363	NLCCYRCPBKLTOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062542
CC(Cn1ncc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319498346	303.363	MAQZJQDQQKAXLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062543
CC(CN(C(=O)c1n(C)nc2c1CCC2)Cc1nnn[nH]1)C	EMOLS-id_319357591	303.363	VLYQIIGBAAYYKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062544
C[C@@H](Cn1cccn1)NC(=O)N(C)Cc1nnc2n1CCC2	PC-id_97087970,ZINC22_89904341	303.363	NLCCYRCPBKLTOR-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-062545
C[C@H](Cn1cccn1)NC(=O)N(C)Cc1nnc2n1CCC2	ZINC22_89904342,PC-id_97087971	303.363	NLCCYRCPBKLTOR-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062546
C[C@@H](NC(=O)N(C)Cc1n[nH]c2c1CCC2)c1nncn1C	ZINC22_426491365	303.363	FJAWBSXTEIBOFM-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062547
C[C@H](NC(=O)N(C)Cc1n[nH]c2c1CCC2)c1nncn1C	ZINC22_426491366	303.363	FJAWBSXTEIBOFM-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-062548
CN(CCn1nccc1C(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_316707244	303.363	LXWCMEIGCVMYJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062549
O=C(Cc1nnn(n1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318805425	303.363	PATJXZMWZMSAKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062550
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cnn(c1)C(C)(C)C	EMOLS-id_319429406	303.363	BPVQARUKXTYKSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062551
CC1CCc2c1c(CN)nn2Cc1ccc(OCCF)cc1	EMOLS-id_331013118,MCULE-1025909472	303.374	SNRZNDDGARTRCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062552
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(CN)c12	EMOLS-id_330994873,MCULE-1503713884	303.374	QACVOEQPNMNJSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062553
Cc1ccc(c(c1F)OCc1nnc2n1CCC2)C(C)(C)C	EMOLS-id_319210590	303.374	JPIRYBJHAQXUHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062554
CCOc1ccc(Cn2nc3CCC(C)c3c2CN)cc1F	MCULE-2049523551,EMOLS-id_330994617	303.374	TYBJTOSNPPWWCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062555
CCOc1ccc(Cn2nc3CCC(C)c3c2CN)c(F)c1	EMOLS-id_330995129,MCULE-4369098152	303.374	UEYGWDGQCXOQKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062556
CCOc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1F	MCULE-8834693714,EMOLS-id_331012862	303.374	SMNRXALSCXHIIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062557
CCOc1ccc(Cn2nc(CN)c3C(C)CCc23)c(F)c1	MCULE-3902917353,EMOLS-id_331013374	303.374	DGCUUIAFMGFCPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062558
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_330997939,MCULE-6979012700	303.374	YXRDNOSPNWNMRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062559
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_330999728,MCULE-3344832298	303.374	RRRXJPPQPJXQKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062560
COc1cccc(C(C)n2nc3CCC(C)c3c2CN)c1F	MCULE-9280767327,EMOLS-id_330998451	303.374	WDKCVULGIUVNBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062561
COc1ccc(C(C)n2nc3CCC(C)c3c2CN)c(F)c1	EMOLS-id_330999472,MCULE-5326452521	303.374	OIADOHGETBUUJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062562
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1CN	MCULE-7151374940,EMOLS-id_330998964	303.374	JMOWDDBQBWVVHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062563
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_330998708,MCULE-5874897311	303.374	LWFYPISPYGKSTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062564
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_330998195,MCULE-2637159844	303.374	ZITPDHPERBBMFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062565
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1CN	MCULE-1404529714,EMOLS-id_331001009	303.374	OIROJWQRDBPDDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062566
Fc1ccc(c(c1)OC(C)(C)C)NCc1cnc2n1CCC2	MCULE-9688003410,EMOLS-id_318386441	303.374	DLQOSTBTBOPBNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062567
Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)CC3(C)C)cc1	MCULE-6098603835,ZINC22_26896967,PC-id_12165062	303.376	JLXKSVONFOQJOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062568
Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@H](C)[C@H]3C)cc1	PC-id_34178857,ZINC22_26896969	303.376	GYEXJJHYJSNDAA-VXGBXAGGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062569
Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@@H](C)[C@H]3C)cc1	PC-id_34178859,ZINC22_26896971	303.376	GYEXJJHYJSNDAA-NEPJUHHUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062570
Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@H](C)[C@@H]3C)cc1	PC-id_34178861,ZINC22_26896973	303.376	GYEXJJHYJSNDAA-NWDGAFQWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062571
Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@@H](C)[C@@H]3C)cc1	ZINC22_26896975,PC-id_34178863	303.376	GYEXJJHYJSNDAA-RYUDHWBXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062572
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)C3)cc1	PC-id_34178871,ZINC22_26896983	303.376	YGQGEEIEZLTLSR-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062573
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@@H](C)C3)cc1	PC-id_34178873,ZINC22_26896985	303.376	YGQGEEIEZLTLSR-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-062574
CCCC1c2c(c(c(n2C)C(=O)c2cccs2)C)OC1=O	PC-id_88184310	303.376	HENCHDSLANDVPD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062575
CCCc1cc2n(c1C(=O)c1cscc1)CCC2C(=O)O	SCHEMBL11658450,PC-id_20356114	303.376	GYGGGYWOURJQAT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062576
CCCOC(=O)C1CCn2c1ccc2C(=O)c1cccs1	PC-id_20356123,SCHEMBL11659697	303.376	NLCPIHUWFDXSTL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062577
CCOC(c1nc2c(s1)CCC2C(=O)O)c1ccccc1	PC-id_116744618	303.376	VNKNPXFQXSOICE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062578
CCOC(=O)C1CCc2c1nc(s2)COc1ccccc1	PC-id_104287153	303.376	PYTIIEHTSGQAGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062579
CC(OC(=O)C1CCn2c1ccc2C(=O)c1cccs1)C	SCHEMBL11658954,PC-id_20356153	303.376	YAFUOVLZFNFVPB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062580
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccsc1)C	SCHEMBL11657210,PC-id_20356146	303.376	DFZGDMZKLKDUPD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062581
COc1ccc(c(c1)OC)NC(=O)c1sc2c(c1)CCC2	PC-id_26734703,CoCoCo_3188608	303.376	RCRSVWMBQXBHGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062582
COc1ccc(OC)c(NC(=O)c2cc3c(s2)CCC3)c1	CoCoCo_3368165,ZINC22_3230500,EMOLS-id_13354211,MCULE-8784270117,PC-id_2348568	303.376	KGZUTOZEMFTKJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062583
COc1cc(NC(=O)c2cc3c(s2)CCC3)cc(OC)c1	MCULE-2464400817,PC-id_9096634,ZINC22_7969682,CoCoCo_3363969,EMOLS-id_17219213	303.376	LJHGLRMAMFGIRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062584
n1(S(=O)(=O)c2ccc(C)cc2)ccc2C(C)C(C)C(=O)c12	PC-id_12165067,MCULE-2166088090	303.376	GYEXJJHYJSNDAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062585
n1(S(=O)(=O)c2ccc(C)cc2)c(C)cc2CC(C)C(=O)c12	PC-id_12165072,MCULE-4181559191	303.376	YGQGEEIEZLTLSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062586
Oc1cc(O)c(cc1C(=O)N1Cc2c(C1)ccs2)C(C)C	PC-id_141432082	303.376	VMGSDSDGWCDUQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062587
OCc1cc(cc(c1)CO)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_316534748	303.376	PLYKIQWFLHBFQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062588
OCCOc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_112345793	303.376	QVAIVYGBWVEAKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062589
s1c2CCCc2cc1C(=O)Nc1cc(OC)c(OC)cc1	PC-id_26364565	303.376	MZHABBJXEUOCID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062590
s1c2c(CCC2)c(c1N)C(=O)c1cc(OC)c(OC)cc1	PC-id_28337445	303.376	QSZHKDIOBFAFTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062591
s1c2c(CCC2)c(c1N)C(=O)c1c(OC)ccc(OC)c1	PC-id_28337454	303.376	VEZSIJXAADLMLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062592
s1c(C(=O)c2n3c(C(CC3)C(=O)O)cc2CC)cc(c1)C	PC-id_20356127	303.376	VKPGTNZGNVMYPN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062593
c1(NC(=O)c2ccc(cc2)OCC)n(C)nc2CSCc12	MCULE-4257079114,EMOLS-id_334563766	303.379	MPZRFFGEUZTIMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062594
c1(NC(=O)Cc2ccccc2OC)n(C)nc2CSCc12	PC-id_60176379,EMOLS-id_36791991,MCULE-8885023336,STOCK7S-24149,ZINC22_72400377	303.379	DGLKLJOAVSLBMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062595
c1(NC(=O)Cc2ccc(cc2)OC)n(C)nc2CSCc12	ZINC22_604419651,STOCK7S-68331,MCULE-5253342686,EMOLS-id_188946213	303.379	NIVJPYSUDKTGJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062596
c1(NC(=O)CCOc2ccccc2)n(C)nc2CSCc12	EMOLS-id_334565555,MCULE-7114646003	303.379	MAYHNMJGDXSWHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062597
c1(NC(=O)CN(CC=C)C(=O)C)sc2c(CCC2)c1C#N	PC-id_84570142,EMOLS-id_181494035,MCULE-2734417943	303.379	SFPAUZXGIQIUAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062598
c1(NC(=O)COc2cc(C)cc(C)c2)sc2c(CNC2)n1	PC-id_82194112,MCULE-5625009140	303.379	ZLRGLLINZXUZHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062599
Cc1cc(c(cc1)C)S(=O)(=O)NN=C1CCn2c1ccc2	EMOLS-id_301015126,PC-id_91942208,MCULE-7186526823	303.379	DTSCYGAHRJOSPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062600
Cc1ccc(C)c(S(=O)(=O)N/N=C/2CCn3cccc23)c1	PC-id_97782865,ZINC22_55349863	303.379	DTSCYGAHRJOSPZ-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062601
Cc1nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1	PC-id_96099238,ZINC22_76043159	303.379	KFRDVEJGKSVFTI-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-062602
Cc1nc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1	PC-id_96099239,ZINC22_76043162	303.379	KFRDVEJGKSVFTI-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062603
Cc1onc(n1)C1CCCN1C(=O)c1sc2c(c1)CCC2	PC-id_72124026,MCULE-1943382891,EMOLS-id_43383443	303.379	KFRDVEJGKSVFTI-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062604
CCc1cccnc1CNc1nc2c(s1)CCC2C(=O)O	PC-id_104289190	303.379	IOIVQILPDHQBLY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062605
CCc1cc(cn(c1=O)C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318480455	303.379	OQKPNXIYHIJVFE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062606
CC(c1nc(Nc2sc3c(n2)CCC3)cc(c1)C(=O)O)C	PC-id_104137684	303.379	XMQWGCJIFRHLOF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062607
CCCc1nc(Nc2sc3c(n2)CCC3)cc(c1)C(=O)O	PC-id_104137682	303.379	LERPGGBMBYTCSS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062608
CCN(c1nc2c(s1)CCC2C(=O)O)Cc1ccccn1	PC-id_104289076	303.379	DZMLUMBIJKYPGB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062609
CCN(c1nc2c(s1)CCC2C(=O)O)Cc1ccncc1	PC-id_104288168	303.379	VZFKWRIKAIGAKK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062610
CCOc1c(N)cccc1C(=O)Nc1sc2c(n1)CCC2	PC-id_104205071	303.379	SFHZFJXACOHMFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062611
CCOC(=O)C1CCc2c1nc(s2)N(c1cccnc1)C	PC-id_104288750	303.379	XONWMIWMEFJSOY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062612
CCOC(=O)C1CCc2c1nc(s2)Nc1cccnc1C	PC-id_104289008	303.379	BJMQOGJNYZQMKA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062613
CCOC(=O)C1CCc2c1nc(s2)Nc1ccc(nc1)C	PC-id_104289153	303.379	WKEGLANMHMJKJC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062614
CCOC(=O)C1CCc2c1nc(s2)Nc1cnccc1C	PC-id_104288728	303.379	OPIOIRDAGJKXKJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062615
CCOC(=O)C1CCc2c1nc(s2)Nc1cncc(c1)C	PC-id_107587125	303.379	MZGQMBRIBFLSKK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062616
CCOC(=O)C1CCc2c1nc(s2)NCc1ccccn1	PC-id_104287633	303.379	PRKUZZCMPOPPNZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062617
CCOC(=O)C1CCc2c1nc(s2)NCc1cccnc1	PC-id_104287676	303.379	LTCKNDMIJAVKRV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062618
CCOC(=O)C1CCc2c1nc(s2)NCc1ccncc1	PC-id_104287671	303.379	CGIYZGUSPLCCRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062619
CCOC(=O)c1cccc(c1Nc1sc2c(n1)CCC2)N	PC-id_115934478	303.379	UZJDSWDRFZLEKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062620
CCOC(=O)c1cccc(c1N)Nc1sc2c(n1)CCC2	PC-id_115545360	303.379	JWIMCIZQKKLLGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062621
Cn1ncc2c1CN(C2)S(=O)(=O)c1cccc(c1)C1CC1	MCULE-2179619490,EMOLS-id_320172708	303.379	SKLVCKJURZKCPB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062622
COc1ccc(cc1)N(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318716299	303.379	XXOWDFQNILNCKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062623
COc1ccc(cn1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318530230	303.379	XUMMYNDRDRUXEF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062624
COc1cccc(n1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318738913	303.379	KZGPJZORGGOPSH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062625
COc1cccnc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318650468	303.379	ANTOWCPXEQFXCR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062626
COc1ccc(nc1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318766412	303.379	JCSKUIDGLUHVAI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062627
COc1ccnc(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318547490	303.379	QOJBDEHADVYFLC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062628
COc1ccncc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318642708	303.379	JMUJWPOLCAXELB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062629
COc1nccc(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318498810	303.379	WMCJRVONTJZNLY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062630
COc1ncccc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318644023	303.379	RCNHNWOUUSEEIF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062631
N1C(CCC1=O)CCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328198303,MCULE-5404887223	303.379	HZZYXXXGXWUFBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062632
Oc1ccc(cc1)C[C@H](C(=O)Nc1sc2c(n1)CCC2)N	PC-id_104905027	303.379	VZOJJMUQEPHIJL-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062633
Oc1ccc(c(c1)C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_316568884	303.379	MQJDXVJKXZAVGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062634
O(c1cc(C[NH2+]C(c2n3CCCc3nn2)C)cc(OC)c1)C	PC-id_75874344	303.379	QYAYNMWNMARUCQ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-062635
O(c1cc(C[NH2+][C@H](c2n3CCCc3nn2)C)cc(OC)c1)C	PC-id_52583052	303.379	QYAYNMWNMARUCQ-NSHDSACASA-O	00000010100000110001000010000000000000000000000000000000	25-01-062636
O(c1cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc(OC)c1)C	PC-id_52583054	303.379	QYAYNMWNMARUCQ-LLVKDONJSA-O	00000010100000110001000010000000000000000000000000000000	25-01-062637
Oc1ccnc(n1)CCN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_319209687	303.379	IFDBVLCCSVKQMU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062638
Oc1c(C[NH2+]C(c2n3CCCc3nn2)C)cccc1OCC	PC-id_75889724	303.379	YQLJCVIXPVUKDG-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-062639
Oc1c(C[NH2+][C@H](c2n3CCCc3nn2)C)cccc1OCC	PC-id_52640839	303.379	YQLJCVIXPVUKDG-NSHDSACASA-O	00000010100000110001000010000000000000000000000000000000	25-01-062640
Oc1c(C[NH2+][C@@H](c2n3CCCc3nn2)C)cccc1OCC	PC-id_52640841	303.379	YQLJCVIXPVUKDG-LLVKDONJSA-O	00000010100000110001000010000000000000000000000000000000	25-01-062641
Oc1[nH]nc(c1)C1CCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_278398393	303.379	APUWHNCPCGZNQS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062642
O=C(c1ccccc1S(=O)C)NCc1cnc2n1CCC2	MCULE-7562268838,EMOLS-id_320330282	303.379	CLIOSNCKROOBCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062643
O=C(c1ccc(cc1)S(=O)C)NCc1cnc2n1CCC2	MCULE-8355310379,EMOLS-id_320315983	303.379	PNCQJBWIVFYWDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062644
O=C(c1cccc(=O)n1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181767	303.379	PHGIXGXAIUSWNM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062645
O=C(c1ccn(c(=O)c1)C(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318487874	303.379	VIAFMQDSQKVYBV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062646
O=C(c1ccn(c(=O)c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180171	303.379	VCJNSFZUESKILV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062647
O=C(c1c[nH]c(cc1=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102162409	303.379	HSKNWFUEIWMBKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062648
O=C(c1conc1C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102164188	303.379	LMGADJYHXUYMGB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062649
OCc1nccc(c1)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_319095315	303.379	YQEZPPVUAHKFHS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062650
O=C(c1ncoc1C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183534	303.379	PQHRVBQFQPAECA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062651
O=C(c1ocnc1C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183507	303.379	PLMBCKFNYFESKK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062652
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)c1ncon1	EMOLS-id_318821984	303.379	KZYQVJWJEWFKHH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062653
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)c1ncon1	EMOLS-id_319208586	303.379	XRIZHNYIUUWEGJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062654
O=C(c1sc2c(c1)CCC2)NC1CC(C1n1cccn1)O	EMOLS-id_278885883	303.379	WZHCIHFDVLEWKO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-062655
O=C(c1sc2c(c1)CCC2)NC1(CCCC1)c1ncon1	EMOLS-id_318822409	303.379	ABGSPCJAZDMTRK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062656
O=C(Cc1ccc(cn1)O)NCCc1sc2c(n1)CCC2	EMOLS-id_319822002,MCULE-1951791638	303.379	ADEYPBHGOXXZAB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062657
O=C(Cn1ccccc1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318400478	303.379	FBIHBNCXDZXFNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062658
OCC(=O)Nc1cccc(c1)NCc1sc2c(n1)CCC2	PC-id_109948738	303.379	OGRNTKZDTLOMEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062659
O=C(N1CC(C1)(O)c1ccnn1C)c1sc2c(c1)CCC2	EMOLS-id_319314443	303.379	PWVPBADJPFDXLX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-062660
O=C(N1CC(C1)(O)c1nccn1C)c1sc2c(c1)CCC2	EMOLS-id_319732025	303.379	OPAUYCOAZUOUNY-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-062661
O=C(NCc1cccs1)c1nc2CN(CC3CC3)Cc2o1	PC-id_97442811,ZINC22_96147287,CHEMBL3553718,EMOLS-id_44304356	303.379	JEEFRCGWTGNRRM-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-062662
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)N(C)C	PC-id_104288009	303.379	QAIMBQNZXJBZSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062663
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)N(C)C	PC-id_104289167	303.379	KSEISZXCWAFMQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062664
OC(=O)C1CCc2c1nc(s2)Nc1ccccc1N(C)C	PC-id_106760981	303.379	IWXQXGSMASJCFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062665
OC(=O)C1CCc2c1nc(s2)N(Cc1cccc(n1)C)C	PC-id_104289092	303.379	PHBFVYZLFNLVJI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062666
OC(=O)C1CCc2c1nc(s2)N(CCc1ccccn1)C	PC-id_104287770	303.379	TUDDDDHOIWNDDK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062667
OC(=O)C1CCc2c1nc(s2)N(CCc1ccncc1)C	PC-id_104288042	303.379	UNYJJNSMUDRHQY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062668
OC(=O)NCCN1Cc2c(N1Cc1ccccc1)ccs2	PC-id_70004526,SCHEMBL7149008	303.379	MLGKZZJEGNBIMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062669
O=S(=O)(c1cnc2n1CCC2)N1CCC1c1ccccc1	EMOLS-id_100201074	303.379	JJGHRTFUWSWJFE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-062670
s1c2CCCc2cc1CNc1nc(nc(c1)C)C(=O)OC	PC-id_66287251	303.379	QCOUHAIQIYYNQA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062671
s1c2CCCc2cc1CNC(=O)Cn1cc(N)ccc1=O	PC-id_62814974	303.379	QNMWHKHDKKYSCD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-062672
s1c2c(CCC2)c(c1NC(=O)CN1CCC(=O)CC1)C#N	PC-id_82342710	303.379	WBRGWKHQECXUIP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062673
s1c2CCCc2nc1Nc1c(cc(N)cc1)C(=O)OCC	PC-id_61510010	303.379	FTIXATPREFBFHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062674
s1c2CCCc2nc1Nc1cc(c(N)cc1)C(=O)OCC	PC-id_61510054	303.379	WPYMRDLTMQVFRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062675
s1c2CCCc2nc1Nc1c(N)cc(cc1)C(=O)OCC	PC-id_61510012	303.379	YJARUENEIHOWPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062676
s1c2CCCc2nc1Nc1c(N)ccc(c1)C(=O)OCC	PC-id_82778583	303.379	KNBFWGVWKCKBEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062677
s1c2CCCc2nc1NC(=O)c1cc(N)c(OCC)cc1	PC-id_61507290	303.379	DATYANULJMKMAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062678
s1c2CCCc2nc1NC(=O)c1cc(OCC)cc(N)c1	PC-id_81094093	303.379	OAEIWXDOROGANP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062679
s1c2CCCc2nc1NC(=O)c1c(OCC)cccc1N	PC-id_81394483	303.379	VUZAJNQPHVUPRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062680
s1c2CCCc2nc1NC(=O)c1[nH]c(c(c1C)C(=O)C)C	PC-id_33039649	303.379	VMLGHZKXONRPQB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-062681
s1c2CCCc2nc1NC(=O)CCOc1ccc(N)cc1	PC-id_61507373	303.379	BWPHGZZLWRMATL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062682
s1c2CCCc2nc1NC(=O)CCOc1cc(N)ccc1	PC-id_61507374	303.379	RJNDYKQRDKFKHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062683
s1c2CCCc2nc1NC(=O)CCOc1c(N)cccc1	PC-id_61507372	303.379	WVRCVOZYVVPKNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062684
s1c2CCCc2nc1NC(=O)[C@@H](N)Cc1ccc(O)cc1	PC-id_61511823	303.379	VZOJJMUQEPHIJL-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-062685
s1c2CCCc2nc1NC(=O)C(N)Cc1ccc(O)cc1	PC-id_76905680	303.379	VZOJJMUQEPHIJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062686
s1c2CCCc2nc1NC(=O)Nc1ccc(C(O)C)cc1	PC-id_61510272	303.379	OOARUZRIKBZABE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062687
s1c2CCCc2nc1NC(=O)Nc1cc(C(O)C)ccc1	PC-id_61510271	303.379	RDUOLQLUWIMZHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062688
s1c2c(nc1NC(=O)CCCOc1ccccc1)CNC2	PC-id_82194064	303.379	VJOVXLSKLJHYMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062689
s1c2CNCc2nc1NC(=O)Cc1ccc(OCC)cc1	PC-id_82194024	303.379	MYXPRCASVGCACR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062690
s1c2CN(Cc2nc1N)C(=O)Cc1ccc(OCC)cc1	PC-id_82194137	303.379	WSXVWYRPIZHDCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062691
s1c2CN(Cc2nc1N)C(=O)CCCOc1ccccc1	PC-id_82194175	303.379	AGYLMBSZQBVEOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062692
s1c2CN(Cc2nc1N)C(=O)COc1cc(cc(c1)C)C	PC-id_82194223	303.379	VMQXYJITLYGODV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062693
s1c2CNCc2nc1NC(=O)COc1c(CC)cccc1	PC-id_82194066	303.379	LXVVFVWJBUIGLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062694
s1c2CN(Cc2nc1N)C(=O)COc1c(CC)cccc1	PC-id_82194177	303.379	DTXNEFDJMGXDGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062695
S1Cc2c(noc2NC(=O)NCCCc2ccccc2)C1	PC-id_49719391	303.379	POYYQZREJOVESE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062696
S(=O)(=O)(N/N=C
/CCn2c1ccc2)c1c(ccc(c1)C)C	PC-id_75524942	303.379	DTSCYGAHRJOSPZ-SSZFMOIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062697
c12SCCn1cc(CNC(=O)c1ccc(nc1)N(C)C)n2	MCULE-8927128192,PC-id_74244667,EMOLS-id_49668614,ZINC22_97694682	303.383	BWDWNYXBHGGXIB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062698
c
(=NC(=O)CCCNc2ncccn2)/sc2c(CCC2)[nH]1	ZINC22_45882046,STOCK7S-32188,EMOLS-id_44208000,EMOLS-id_49394144,MCULE-4884469576,PC-id_71702255	303.383	VFHQKSMPXHOZFX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062699
Cc1ccnc(SCC(=O)NCc2n[nH]c3CCCc23)n1	PC-id_91760400,MCULE-6779060795,EMOLS-id_55603928	303.383	AEYRPCVKBBMMEV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062700
Cc1cnc(CCNC(=O)Nc2nc3c(s2)CCC3)nc1	ZINC22_559685296	303.383	KEQKDZPPTFVNBB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062701
Cc1nc(N)ncc1C(=O)NCCc1nc2CCCc2s1	MCULE-7162749342,EMOLS-id_55603068,PC-id_91760098	303.383	GKWALKXKAQYKDO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062702
Cc1nc(sc1C(=O)N1Cc2c(C1)cnn2C)NC1CC1	MCULE-2912115051,EMOLS-id_318478722	303.383	CGNSKIOTVQYLPC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062703
Cc1nnccc1NC(=O)NCCc1nc2c(s1)CCC2	EMOLS-id_316317579,ZINC22_930813329,MCULE-9315500313	303.383	CVFYAXQHFXGOSI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062704
Cc1nsc(c1C(=O)N1Cc2c(C1)cnn2C)NC1CC1	EMOLS-id_318132350,MCULE-1175509215	303.383	VVWVYQFHKAJXNI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062705
CCc1nc(NN)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104149655	303.383	MDZNVOTUWLWYFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062706
CCCNc1cncc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_108078768	303.383	HUKFXPOTQLYLNP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062707
CCCNc1ncc(nc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_107375199	303.383	KOSYXZGGZAMQJD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062708
CC(Nc1nnccc1C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_319320911	303.383	DBHOLCUSDYVOMK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062709
CNc1ccnc(n1)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_319269343	303.383	SPNDJLHDNLUUGR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062710
CSc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319354750	303.383	GEPDMURIPROPNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062711
CSc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319401088	303.383	OIWFXXHSTUXZGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062712
CSc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319540989	303.383	LWLZGHVCBUCLJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062713
O=C(C1(CCC1)Cc1[nH]nnc1)Nc1sc2c(n1)CCC2	EMOLS-id_318891966	303.383	CGQPUDAETFLSSB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-062714
O=C(c1cnccn1)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030673	303.383	PQIKIWNVCNMBQN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062715
O=C(c1cnc(s1)NC1CC1)NCc1cnc2n1CCC2	EMOLS-id_319261636	303.383	ZHBVMJDYRCGMSY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062716
O=C(c1csc(n1)NC1CC1)NCc1cnc2n1CCC2	MCULE-6881962585,EMOLS-id_319830687	303.383	ZFWSQJXBNHPJOR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062717
O=C(c1nnn(c1)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_317998002	303.383	WKJPIXXREOUJGB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062718
O=C(c1sc2c(c1)CCC2)N1CCC(C1)Cc1[nH]nnn1	EMOLS-id_318815849	303.383	WZYZGQOIKKLLMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062719
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)c1nc[nH]n1	MCULE-4492512021,EMOLS-id_320066630	303.383	DQEAFIHVKFISPG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062720
O=C(N1Cc2c(C1)cn[nH]2)c1csc(n1)N1CCCCC1	EMOLS-id_320247848,MCULE-3800419234	303.383	UUXWFPWWOMGWQT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062721
O=C(N1CCn2c1ccn2)c1csc(n1)N1CCCCC1	EMOLS-id_316481169	303.383	YFJVMPMBKTWQLC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062722
O=C(Nc1ncc(nc1)C)NCCc1sc2c(n1)CCC2	EMOLS-id_318999065	303.383	HHJVCTVFALEXDJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062723
O=C(Nc1sc2c(n1)CCC2)NCc1cc(C)nc(c1)N	EMOLS-id_319292963	303.383	RECBJYSRRFTZOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062724
s1c2CCCc2cc1CNC(=O)c1nnn(C2CNC2)c1	PC-id_79319543	303.383	HYCUIGVKYOFKHY-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-062725
s1c2CCCc2nc1NC(=O)c1nc(ncc1N)C(C)C	PC-id_62186487	303.383	WJWUNODWICHGNI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062726
s1c2CCCc2nc1NC(=O)c1nnc(NCCC)cc1	PC-id_62176324	303.383	LBDAWCXMGMMZFN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062727
S(c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1)C	PC-id_52195109	303.383	KMJHDMRPHWNPHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062728
S(c1cc(NC(=O)NCc2n3CCCc3nn2)ccc1)C	PC-id_60447290	303.383	RQWDSDZBAJZIRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062729
Nc1nnc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315845482,PC-id_104171468	303.384	YFIABYBTRAZNAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062730
s1c(CNC2CCC(CC2)C(F)(F)F)cc2c1CCC2	PC-id_64755679	303.386	AAEJYARDMVZMEI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062731
s1c(CNC2C(CCCC2)C(F)(F)F)cc2c1CCC2	PC-id_64756868	303.386	RHBCVJUFLBHOLC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062732
s1c(CNC2CC(CCC2)C(F)(F)F)cc2c1CCC2	PC-id_64758820	303.386	CNZUDEUDXBSRDO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062733
CCOCCCNC(=O)c1sc2c(c1)CS(=O)(=O)C2	ChEMBL-DNDi_CHEMBLC771-0119,PC-id_20882731,CoCoCo_2175365	303.398	KCRJHKVSLSHAMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062734
CCOC(=O)C1CCc2c1nc(s2)C(S(=O)(=O)C)C	PC-id_116632925	303.398	IMYAMQKBBJCICO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062735
Fc1cccnc1N1CCC(C1)NC1CCc2c1scc2	EMOLS-id_318379692,MCULE-8999943871	303.398	UYQZMEABPUMSEU-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-062736
O=C(N1Cc2c(C1)c(sc2)S(=O)(=O)C)OC(C)(C)C	PC-id_139679533	303.398	SQKAPRFMHVYNKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062737
s1c2c(CCC2)cc1CNS(=O)(=O)CCCC(=O)O	PC-id_61206867	303.398	FEGQTEBXDKYMFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062738
s1c2c(CCC2)c(c1NS(=O)(=O)CCCC)C(=O)O	PC-id_43328049	303.398	RBVJKCQTZBDFJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062739
s1c2c(CCC2)c(c1NS(=O)(=O)C(C)C)C(=O)OC	PC-id_64586289	303.398	PITIXFFMXKZTJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062740
s1c2c(CCC2)c(c1NS(=O)(=O)CCC)C(=O)OC	PC-id_64586291	303.398	PXCDQXYHIBIOKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062741
s1c2c(CCC2)c(c1NS(=O)(=O)CC)C(=O)OCC	PC-id_64593130	303.398	LFMNOLIIFODNQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062742
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)C(C)(C)C	PC-id_55234820	303.398	DQSAHFYAPRXNBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062743
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)CC(C)C	PC-id_64480180	303.398	VAGAWTCOHVJHPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062744
COCCN(C(=O)c1n[nH]c2c1CCC2)CC1CCC=CC1	MCULE-4660555834,EMOLS-id_100407587	303.399	GSNUROLFGNIHMK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-062745
O=C(C1(CCC1)C1CCCCO1)NCc1cnc2n1CCC2	EMOLS-id_319383326	303.399	MKHKGOXRSDDDLP-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-062746
O=C(C1(CCC1)C1CCCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319329112	303.399	HHJKQMFQUVVSSS-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-062747
O=C(c1n[nH]c2c1CCC2)N1CCCC(CC1)OC1CCC1	MCULE-1448376446,EMOLS-id_316974415	303.399	BUQBHRHMISDEGX-UHFFFAOYSA-N	00001010100000000101000010000000000000000000000000000000	25-01-062748
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](OC2CCC2)CC1	ZINC22_871333006	303.399	BUQBHRHMISDEGX-CYBMUJFWSA-N	00001010100000000101000010000000000000000000000000000000	25-01-062749
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](OC2CCC2)CC1	ZINC22_871333007	303.399	BUQBHRHMISDEGX-ZDUSSCGKSA-N	00001010100000000101000010000000000000000000000000000000	25-01-062750
O[C@@H]1CCN(C[C@H]1C1CCCC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_101522817	303.399	IIUOSZRYVYNQGD-DZGCQCFKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062751
OC(=O)[C@@H]1CN(C[C@H]1C1CCCC1)Cc1cnc2n1CCC2	EMOLS-id_319818860	303.399	ZKMGOGHWJRVVTJ-LSDHHAIUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062752
CS(=O)C1(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97687052	303.401	NHXHHGNONUHJRI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-062753
OC1(CSCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240594	303.401	AVKZRUFVAJNLKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062754
OCC1CSCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226575	303.401	DVIXSHPZBJHKSV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062755
S(=O)(=O)(CCC(N)C(=O)Nc1sc2CCCc2n1)C	PC-id_61511855	303.401	ZRIVDDTWXVXLCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062756
c1(C(=O)N/N=C/2CC(C)(C)NC(C)(C)C2)c2CCCc2[nH]n1	CoCoCo_57346,ChEMBL-DNDi_CHEMBL1328276,MCULE-6021519733,CHEMBL1328276,PC-id_820024,BAS-00389968,EMOLS-id_1209570,CoCoCo_57345	303.403	ISHMLBFZXDRYDP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062757
Cc1nc(CC(=O)Nc2sc3CCCc3c2C#N)cs1	EMOLS-id_318578572,MCULE-6857473761	303.403	UFMRUYHMYMNDKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062758
Cc1nc(C)c(s1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328003060,MCULE-3045493801	303.403	OVBMPLGABDIJQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062759
CCc1nc2s/c(=Cc3ccc(SC)cc3)/c(=O)n2n1	EMOLS-id_324845287	303.403	BZNNYQVLFKQCFF-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062760
CCc1ncc(s1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318611148	303.403	PCTCZHUDKDAGNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062761
CCc1scc(n1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318643763	303.403	ZUUXBSPRFZUCAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062762
CN1CCN(CC1)C(=O)c1nn(c2c1CN(C2)CC1CC1)C	PC-id_97389071	303.403	RBNQJDNQMVZDLA-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-062763
CN(Cc1nnc2n1CCC2)C(=O)NCCC1=CCCCC1	MCULE-8194117740,ZINC22_44966221,PC-id_45829614,EMOLS-id_31995626	303.403	QGSOGXINQCYIOI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-062764
s1c2c(CCC2)cc1C(N)Cc1cc(OC)c(OC)cc1	PC-id_61079948	303.419	CDUJAKBFHYWIRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062809
n12CCCc1nnc2CNC(=O)C1(CCCC1)N1CCCC1	ZINC22_65386677,EMOLS-id_32384832,PC-id_50956937,MCULE-4897096134	303.403	BNHJKGNHJQLQGU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062765
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)CC	MCULE-4092342616	303.403	BZNNYQVLFKQCFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-062766
N#Cc1c(NC(=O)Cc2cnc(s2)C)sc2c1CCC2	EMOLS-id_318609136	303.403	ATENKFDRESFSPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062767
O=C(C1CCCN1C1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_100985968	303.403	WMPDRBHKCMIVIH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062768
O=C(C1NCc2c1c[nH]n2)N1CCCC(CC1)N1CCCC1	EMOLS-id_320266950,MCULE-9077048224	303.403	ZEXAVOJCBSPSRL-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-062769
O=C(C1NCc2c1c[nH]n2)N1CCCN(CC1)C1CCCC1	EMOLS-id_319027369	303.403	WFWUPJPWSLRSQL-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-062770
O=C(c1sc2c(c1)scc2)NCc1cnc2n1CCC2	EMOLS-id_319248834	303.403	PBWCGLSCHKUANE-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-062771
O=C(c1sc2c(c1)scc2)NCc1n[nH]c2c1CCC2	EMOLS-id_318983948	303.403	YYGJBKZWHHDRDY-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-062772
O=C(N1CC(C1)C1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_101529588	303.403	HTFJNQRBPOLVQS-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-062773
O=C(N1CCC(C1)C1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_102004518	303.403	DQFSURUUBATJBP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062774
O=C(N1CCC(C1)N1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318862626	303.403	FMRZLFKVFIROGF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062775
O=C(N1CCCC(C1)C1CC1)NCCc1nnc2n1CCC2	MCULE-8698371156,EMOLS-id_177244907	303.403	QGJBCPIDYNWGAE-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-062776
O=C(N1CCN(CC1)C1CCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101579259	303.403	QJADAZPBGORJHC-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-062777
O=C(N1CCN(CC1)CC1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101581068	303.403	FOWYGRBZTAJHBT-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-062778
O=C(NC1CC(C2CC2)CCC1)NCc1n2CCCc2nn1	MCULE-9793716839,PC-id_71926306,EMOLS-id_45656039	303.403	SSEIFTOJMBNPMK-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-062779
O=C(NC1CC(n2c1ncc2)C)NC1CN(CC1C)C1CC1	EMOLS-id_101369560	303.403	NTILQZYFVBQZMG-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062780
O=C(NC1CC(n2c1ncc2)C)NC1CN(C(C1)C)C1CC1	EMOLS-id_101373475	303.403	BCJGVSJFFNBDMF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062781
O=C(NC(c1nnc2n1CCC2)C)NCC1(CCC1)C1CC1	EMOLS-id_97806185	303.403	KPPCGOVVPQHSNN-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-062782
O=C(NCc1nnc2n1CCC2)N[C@@H]1CCC[C@@H](C2CC2)C1	PC-id_96566109,ZINC22_80574685	303.403	SSEIFTOJMBNPMK-CHWSQXEVSA-N	00100010100010000001100010000000000000000000000000000000	25-01-062783
O=C(NCc1nnc2n1CCC2)N[C@@H]1CCC[C@H](C2CC2)C1	ZINC22_80574668,PC-id_96566107	303.403	SSEIFTOJMBNPMK-QWHCGFSZSA-N	00100010100010000001100010000000000000000000000000000000	25-01-062784
O=C(NCc1nnc2n1CCC2)N[C@H]1CCC[C@H](C2CC2)C1	ZINC22_80574678,PC-id_96566108	303.403	SSEIFTOJMBNPMK-STQMWFEESA-N	00100010100010000001100010000000000000000000000000000000	25-01-062785
O=C(NCc1nnc2n1CCC2)N[C@H]1CCC[C@@H](C2CC2)C1	ZINC22_80574691,PC-id_96566110	303.403	SSEIFTOJMBNPMK-OLZOCXBDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-062786
O=C(NCCc1nnc2n1CCC2)N1CCC[C@@H](C2CC2)C1	ZINC22_358904454	303.403	QGJBCPIDYNWGAE-CYBMUJFWSA-N	00100010100010000001100010000000000000000000000000000000	25-01-062787
O=C(NCCc1nnc2n1CCC2)N1CCC[C@H](C2CC2)C1	ZINC22_358904457	303.403	QGJBCPIDYNWGAE-ZDUSSCGKSA-N	00100010100010000001100010000000000000000000000000000000	25-01-062788
s1c2CCCc2cc1C(=O)Nc1sc(cn1)C#CCN	PC-id_60803731	303.403	PVIAKVUKLVTXLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062789
s1c2CCCc2c(c1NC(=O)c1sc(c(N)c1)C)C#N	PC-id_61117152	303.403	WOWHGYCXPGKRMS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-062790
s1c2CCCc2nc1NC(=O)c1ccc(cc1)C(=S)N	PC-id_61511893	303.403	LUQNJPQDIBWAFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062791
s1c2CCCc2nc1NC(=O)c1cc(ccc1)C(=S)N	PC-id_61511894	303.403	BLFOKZQUGPEKLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062792
s1c2CCCc2nc1NC(=O)c1cc(sc1)C#CCN	PC-id_79684022	303.403	OSZPPJDWAFYBAY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062793
s1c2CCCc2nc1NC(=O)c1sc(cc1)C#CCN	PC-id_61510342	303.403	NDLIDWILGOKWBV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062794
s1c2CCCc2nc1NC(=O)c1sccc1C#CCN	PC-id_63801622	303.403	FTXUEDGLKCQQQU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062795
Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1nnc2n1CCC2	ZINC22_58405355,PC-id_94823241	303.406	CUDDTVMHJRBPSJ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-062796
Cc1nn(C)c(N(C)C)c1CN[C@H](C)c1nnc2n1CCC2	ZINC22_58405356,PC-id_94823242	303.406	CUDDTVMHJRBPSJ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062797
CC(c1nnc2n1CCC2)NCc1c(C)nn(c1N(C)C)C	PC-id_51104944,EMOLS-id_33322341,MCULE-9628278909	303.406	CUDDTVMHJRBPSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062798
CN=C(NC1CCN(C1)C1CC1)NCc1nnc2n1CCC2	PC-id_119149933	303.406	MRVNAMBMBUGLBG-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-062799
COc1cccc(c1C(c1sc2c(c1)CCC2)NC)OC	PC-id_105051947	303.419	DPMXHAVCAJOUJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062800
COc1c(C)cnc(c1C)CC(c1sc2c(c1)CCC2)O	PC-id_115787971	303.419	UBMCDPPBZCRICO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-062801
COc1cc(OC)cc(c1)C(c1sc2c(c1)CCC2)NC	PC-id_105013515	303.419	FTTUJSUBEPVHLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062802
COCCOc1ccccc1C(c1sc2c(c1)CCC2)N	PC-id_105035240	303.419	MZYBZVRKMNOIHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062803
s1c2c(CCC2)cc1C(N)c1c(cc(OC)c(OC)c1)C	PC-id_43626654	303.419	IMLPOADTZWAWDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062804
s1c2CCCc2cc1CNCc1cc(OC)cc(OC)c1	PC-id_61206647	303.419	GGSRSSFMSGGSAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062805
s1c2CCCc2cc1CNCc1cc(OCC)c(O)cc1	PC-id_61206827	303.419	QYURCTCTHGZVHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062806
s1c2c(CCC2)cc1CNC(c1cc(OC)c(O)cc1)C	PC-id_61207021	303.419	LZHBVNZSHAHRII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062807
s1c2c(CCC2)cc1C(NC)c1cc(OC)c(OC)cc1	PC-id_43481135	303.419	OLSYKGFMICKONY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062808
s1c2CCCc2cc1CNCc1cc(OC)c(OC)cc1	PC-id_61208539	303.419	JMJGEGMNZSKHHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062810
s1c2c(CCC2)cc1C(NC)c1c(OC)ccc(OC)c1	PC-id_43481954	303.419	ONEOCLKXXCPXPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062811
s1c2CCCc2cc1CNCc1c(OC)ccc(OC)c1	PC-id_61208350	303.419	HKNVXOMZOIJMBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062812
s1c2c(CCC2)cc1CNC(c1c(O)ccc(OC)c1)C	PC-id_61206643	303.419	JEGALVCYUCXZAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062813
s1c2c(CCC2)cc1C(NC)c1c(OC)cc(OC)cc1	PC-id_43483614	303.419	WUUAOHNMJREAOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062814
s1c2CCCc2cc1CNCc1c(OC)cc(OC)cc1	PC-id_61208736	303.419	TUIFUKMDSPILOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062815
s1c2c(CCC2)cc1CNC(c1c(O)cc(OC)cc1)C	PC-id_61208552	303.419	ROHHUGCZPANAJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062816
s1c2CCCc2cc1CNCc1c(OC)c(OC)ccc1	PC-id_61208156	303.419	ONSFMVZMOMNCDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062817
s1c2CCCc2cc1CNCc1c(O)c(OCC)ccc1	PC-id_61207959	303.419	POTHCBCNBJKWSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062818
s1c2c(CCC2)cc1CNCC(O)c1ccc(OC)cc1	PC-id_61207784	303.419	ZKDMMGOWGYJBSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062819
s1c2CCCc2cc1CNCCOc1ccc(OC)cc1	PC-id_65541954	303.419	WBPNGZDEHAELCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062820
s1c2c(CCC2)cc1CNCC(O)c1cc(OC)ccc1	PC-id_81134806	303.419	GBYXDDAAQJFPIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062821
s1c2CCCc2cc1CNCCOc1c(OC)cccc1	PC-id_65541953	303.419	MKCASQIJFSIVOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062822
s1c2c(CCC2)cc1CNCC(O)COc1ccccc1	PC-id_61208362	303.419	FSAAPZRBBKHFAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062823
s1c2c(CCC2)cc1C(O)C(c1c(OC)cccc1)CN	PC-id_65190380	303.419	RLDNVZBJMZFWNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062824
s1c2c(CCC2)cc1C(O)C(CN)c1ccc(OC)cc1	PC-id_65185194	303.419	KCAMQJRZLMOCRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062825
s1c2c(CCC2)cc1C(O)C(CN)c1cc(OC)ccc1	PC-id_65189833	303.419	AMNWTVDWWPMQRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062826
s1c(C(=O)N2C(C3CCCC3=O)CCC2)cc2c1CCC2	PC-id_79538963	303.419	PAJFCQQCBFCKJB-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-062827
S(=O)(=O)(c1n2c(CCC2)cc1CCCC)c1ccccc1	PC-id_71768278	303.419	SJQGFVNSMKDLBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062828
C1C[C@@H](NCc2cnc3n2CCC3)C[C@@H](O1)c1cccs1	EMOLS-id_320023867,MCULE-7277968718	303.422	LPKJUUIJJNBPJW-TZMCWYRMSA-N	00000010100110000001100010000000000000000000000000000000	25-01-062829
C1CCN(CC1)Cc1oc2c(n1)CN(C2)Cc1cccs1	PC-id_97410206	303.422	UQAPXNBFEIXQNV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-062830
C1CC(NCc2cnc3n2CCC3)CC(O1)c1cccs1	MCULE-8317268429,EMOLS-id_318176103	303.422	LPKJUUIJJNBPJW-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-062831
c1(C(=O)N(CCCC)Cc2ccsc2)c2CCCc2n[nH]1	MCULE-7567383742,PC-id_119062637,ZINC22_426434175,EMOLS-id_82710763	303.422	XEZDLASILGBCBU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062832
c1(NC(=O)CCCCCn2cccc2)sc2c(CCC2)n1	MCULE-8481786759,EMOLS-id_188943393,ZINC22_604418675,STOCK7S-66429	303.422	FRUVSKVUCPZLMK-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-062833
c1(NC(=O)CN2CCC(CC2)C)sc2c(CCC2)c1C#N	EMOLS-id_1416000,CoCoCo_276978,CoCoCo_276979,ZINC22_142857,BAS-03077990,CHEMBL1449005,MCULE-7180251741,PC-id_730298	303.422	AKRPAQKETSFDFC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062834
c1(sc2c(CCC2)n1)NC(=O)C(CC(C)C)n1cccc1	PC-id_121240242,MCULE-2181605542,EMOLS-id_302103984	303.422	GZHSCAGGFRUIKW-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-062835
c1(sc2c(CCC2)n1)NC(=O)[C@H](CC(C)C)n1cccc1	EMOLS-id_298137053,ZINC22_575443095,MCULE-7113621766	303.422	GZHSCAGGFRUIKW-ZDUSSCGKSA-N	00000010110000000001000010000000000000000000000000000000	25-01-062836
c1(sc2c(CCC2)n1)NC(=O)[C@@H](CC(C)C)n1cccc1	EMOLS-id_55728588,PC-id_110205859,STOCK7S-55676,ZINC22_253403241,MCULE-7324695713	303.422	GZHSCAGGFRUIKW-CYBMUJFWSA-N	00000010110000000001000010000000000000000000000000000000	25-01-062837
CC1CC(c2n1ccn2)NC1CCOC(C1)c1cccs1	MCULE-6771601812,EMOLS-id_318119829	303.422	BJRWAKKHXLPHMH-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-062838
CC1CC(c2n1ccn2)N[C@@H]1CCO[C@H](C1)c1cccs1	EMOLS-id_319983304	303.422	BJRWAKKHXLPHMH-FKZOYECMSA-N	00000010100110000001100010000000000000000000000000000000	25-01-062839
CC1(CCC(C(C1)N)C(=C1C=c2c(=N1)cc(s2)C=O)N)C	PC-id_90077468	303.422	XMPSMVDEOUZQIF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062840
CC1CCCCN1CC(=O)Nc1sc2CCCc2c1C#N	PC-id_2997581,EMOLS-id_3493428,BindingDB-id_90732,CHEMBL1442966,BindingDB_PC-id_2997581,MCULE-1105255453	303.422	IAMMBXXZEGDFAN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062841
Cc1c(cnn1C1CCOCC1)NC1CCc2c1scc2	EMOLS-id_318701574,MCULE-9800089308	303.422	BYUAIXCQNWDKLH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062842
Cc1cc(n(n1)CCCNC(=O)c1sc2c(c1)CCC2)C	PC-id_17438621,CoCoCo_3645916	303.422	NAXMCAHXHVGARR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062843
Cc1c(c(=O)[nH]c(n1)C)C(C)NCc1cc2c(s1)CCC2	PC-id_136198265	303.422	ZAHDPQBFPVFNEB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062844
CCC1CCNC(C1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_114428748	303.422	OQVXPXRILVRTJU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062845
CCCC1(CCCN1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_106974932	303.422	KQNJFDQCWKWBFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062846
CC(Cc1ccc(s1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318921045	303.422	RLSOQMPLJRGCQZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-062847
CCCNC(c1nccnc1OC)c1sc2c(c1)CCC2	PC-id_105031919	303.422	ZTTZGDKDNRZVTK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062848
CCCNC(c1sc2c(n1)CCC2)c1ccc(nc1)OC	PC-id_114937736	303.422	YCSVQGGKILWIIB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062849
CCCOc1cncc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105330090	303.422	KNYPDDXYCLUTSI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-062850
CCCOc1nc(NCc2sc3c(c2)CCC3)nc(c1)C	PC-id_115974656	303.422	VROBTBWMHKDJNJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062851
C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3572727,ZINC22_3583765,PC-id_2698040,CoCoCo_3572726	303.422	IAMMBXXZEGDFAN-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062852
C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_2698038,CoCoCo_3572728,ZINC22_3583763,CoCoCo_3572729	303.422	IAMMBXXZEGDFAN-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-062853
CCn1cccc(c1=O)CNc1sc2c(n1)C(CC2)(C)C	MCULE-6438463696,EMOLS-id_318538019	303.422	KJNXUDDRISOUPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062854
CCNC(c1sc2c(c1)CCC2)Cc1ncnc(c1)OC	PC-id_104303902	303.422	QULRTHZYRFBHHL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062855
CC(Oc1ccncc1NCc1sc2c(n1)CCC2)(C)C	MCULE-3008610796,EMOLS-id_318046150	303.422	IAEAHVJIFFRURM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062856
CC(Oc1nc(NCc2sc3c(c2)CCC3)nc(c1)C)C	PC-id_115974658	303.422	WFKIUUKJLDSXPZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062857
Cn1c(C)ccc(c1=O)CNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318664948	303.422	MGODKKZEVYBHEA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062858
Cn1ccnc1C1OCCC(C1)NC1CCc2c1scc2	EMOLS-id_318551715	303.422	QUCHAGSRYKRVMZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062859
Cn1cncc1C1OCCC(C1)NC1CCc2c1scc2	EMOLS-id_318686588	303.422	HGHDETHVHPBNJL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062860
Cn1nccc1C1OCCC(C1)NC1CCc2c1scc2	EMOLS-id_318688613	303.422	OWPYEHMJYOBRCD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062861
CNCc1ncc2n1CCC2SCc1ccc(cc1)OC	PC-id_139819165	303.422	MGSLXLNTQMRLQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062862
COc1ccc(cn1)C(c1sc2c(n1)CCC2)NC(C)C	PC-id_114937742	303.422	SCYJZKYQWXZTDC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062863
COCCNC(c1sc2c(n1)CCC2)c1ccc(nc1)C	PC-id_104822904	303.422	GHFITZUOXCRURH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062864
N#Cc1c(NC(=O)C2NCCCC2(C)C)sc2c1CCC2	PC-id_105567826	303.422	KNMBEKMDPQRYRM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062865
N#Cc1c(NC(=O)CCN2CCCCC2)sc2c1CCC2	CoCoCo_4466401,PC-id_24588513,EMOLS-id_31866594,ZINC22_22197382,MCULE-8599721592	303.422	AMKRONPNFZQJGR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062866
N#Cc1c(NC(=O)C(N2CCC(C2)C)C)sc2c1CCC2	EMOLS-id_110265480	303.422	CDPLBZUGJJRCPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062867
N#Cc1c(NC(=O)C(N2CCCCC2)C)sc2c1CCC2	EMOLS-id_110847084	303.422	PAQXLNPTTQFYPL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062868
N#Cc1c(NC(=O)CN2CCCCCC2)sc2c1CCC2	PC-id_1594560,SCHEMBL8288583,ZINC22_1811749,MCULE-7250355318,CoCoCo_3562682	303.422	ANYXNLFLZUGPAX-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-062869
N#Cc1c(sc2c1CCC2)NC(=O)C1(CCNC1)C(C)C	PC-id_106980401	303.422	VVAZNLJFMPJBAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062870
N#Cc1c(sc2c1CCC2)NC(=O)C1(CN)CCCCC1	PC-id_115437765	303.422	ZPQXCTJEHOTMAC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062871
N#CCN1CCC(CC1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_99778290	303.422	YKPSVMPHIAICBN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062872
NNC(c1sc2c(c1)CCC2)c1cncc(c1)OC(C)C	PC-id_105330505	303.422	IWYHJMLCQTVEDO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-062873
OCCN(c1ccc(cc1)NCc1sc2c(n1)CCC2)C	PC-id_109948736	303.422	FBCOLSMKAUTZOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062874
s1c2CCCc2cc1CNc1nccn(CC(C)C)c1=O	PC-id_62939872	303.422	UYGLZPITLPAYTN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062875
s1c2CCCc2cc1CNc1nccn(C(C)(C)C)c1=O	PC-id_62939873	303.422	SLOVBRQLJTZXTN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062876
s1c2CCCc2cc1CNC(=O)c1n(CCC)cc(N)c1	PC-id_61209122	303.422	XDIHVKHXLJDDNQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-062877
s1c2CCCc2cc1CNC(=O)c1n(C(C)C)cc(N)c1	PC-id_61209123	303.422	BLEAVHKWEKBTJH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-062878
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(C)(C)C#N	PC-id_60693019	303.422	RFSJIVJTCCORJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062879
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(CC)C#N	PC-id_63337901	303.422	GWMHXZKBNZXAMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062880
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)CN)C#N	PC-id_65882263	303.422	AZYKARVCWCRZFV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062881
s1c2c(CCC2)c(c1NC(=O)C1CCC(CC1)CN)C#N	PC-id_79520037	303.422	DLMJMSSAPDQWGF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062882
s1c2c(CCC2)c(c1NC(=O)C1(CCCNC1)CC)C#N	PC-id_63135166	303.422	LJSLVGMQXORFTO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062883
s1c2c(CCC2)c(c1NC(=O)C1(CCNC1)CCC)C#N	PC-id_63141447	303.422	ORYNJCMAULUQLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062884
s1c2c(CCC2)c(c1NC(=O)C1(CCNCC1)CC)C#N	PC-id_63129178	303.422	AUMCKWVIUOCGKQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062885
s1c2c(CCC2)c(c1NC(=O)C1C(N)CCCCC1)C#N	PC-id_80146113	303.422	QEYWZLDHRZZATA-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-062886
s1c2c(CCC2)c(c1NC(=O)C1(N)CC(CCC1)C)C#N	PC-id_64552744	303.422	PQOPYDPOQOLDIZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062887
s1c2c(CCC2)c(c1NC(=O)CC1(N)CCCCC1)C#N	PC-id_64676995	303.422	XOXSBQVNYHCERO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062888
s1c2c(CCC2)c(c1NC(=O)CCC1CCCNC1)C#N	PC-id_61707969	303.422	ZCWYWBVQRFXNCC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062889
s1c2c(CCC2)c(c1NC(=O)CCC1CCNCC1)C#N	PC-id_62211129	303.422	XGMZQYNBFSHQLT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062890
s1c2c(CCC2)c(c1NC(=O)CCC1NCCCC1)C#N	PC-id_62211130	303.422	RJSGHKMOIZTCMT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062891
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C)C#N	PC-id_4031038	303.422	OFKGMSAAGSQUSN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062892
s1c2c(CCC2)c(c1NC(=O)CN1C[C@H](CCC1)C)C#N	PC-id_2682047	303.422	OFKGMSAAGSQUSN-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-062893
s1c2c(CCC2)c(c1NC(=O)CN1C[C@@H](CCC1)C)C#N	PC-id_2682049	303.422	OFKGMSAAGSQUSN-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-062894
s1c2CCCc2nc1C(NCCOC)c1c(ccnc1)C	PC-id_81745102	303.422	KYZLRPFDABISHU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-062895
s1c2CN(Cc2nc1N)CCCOc1ccc(CC)cc1	PC-id_82194284	303.422	RLBKWHFKQOHTIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062896
s1c2CN(CCCCOc3c(cccc3)C)Cc2nc1N	PC-id_82194301	303.422	BGWHQAUHLNNESZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062897
s1c2CN(CCCCOc3cc(ccc3)C)Cc2nc1N	PC-id_82194347	303.422	ZTJPYEKYTQYFKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062898
s1c2CN(CCCCOc3ccc(cc3)C)Cc2nc1N	PC-id_82194349	303.422	BHQCVEFWAZEMMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-062899
C1CCC(CC1)c1nnc(s1)NCc1cnc2n1CCC2	MCULE-6309963036,EMOLS-id_318625788	303.426	YULGZBYKIXKXJP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062900
c1csc(n1)N1CCC(CC1)NCc1cnc2n1CCC2	MCULE-4149749354,EMOLS-id_318169345	303.426	NKDKQQQHOFSDIO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062901
CC1CC(c2n1ccn2)Nc1snc(n1)C1CCCCC1	EMOLS-id_102041392,MCULE-6874171043	303.426	MOYUBJOHBGEJBY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062902
Cc1[nH]nc(n1)C1CCCN(C1)Cc1sc2c(n1)CCC2	EMOLS-id_318696819	303.426	OANQOGQXUBUJDS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062903
CC(c1ccnc(n1)NCCc1nc2n(c1)CCS2)(C)C	MCULE-3659199912,EMOLS-id_318749180	303.426	IKLBFBUTTOMAIU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062904
CC(c1nccc(n1)NCCc1nc2n(c1)CCS2)(C)C	MCULE-1146496967,EMOLS-id_318274556	303.426	MATWXBRRJJDDQC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-062905
Cn1ccnc1C1CNCCN1Cc1sc2c(n1)CCC2	MCULE-2736289956,EMOLS-id_318201225	303.426	MUUSUQUEPQTKTL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062906
Cn1ncc(c1)C1CSCCN1Cc1cnc2n1CCC2	EMOLS-id_318127986	303.426	JBRGOYXXUQMDJA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062907
Cn1ncc(c1)[C@@H]1CN(C[C@H]1N)Cc1sc2c(n1)CCC2	MCULE-5366903092,EMOLS-id_319927387	303.426	QHMVPMSUNDHISJ-NWDGAFQWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062908
Cn1ncc(c1)N1CCC(C1)NCc1sc2c(n1)CCC2	MCULE-5083701173,EMOLS-id_318497514	303.426	HFUGVXSITVLNGX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-062909
CCCNC(c1ccc(cc1C)F)c1sc2c(c1)CCC2	PC-id_115852374	303.437	CLQJQCIWKMVUHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062910
CCCNC(c1ccc(c(c1)F)C)c1sc2c(c1)CCC2	PC-id_107130149	303.437	OGAIOQRHVJDXKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062911
CCCNC(c1cc(C)ccc1F)c1sc2c(c1)CCC2	PC-id_115852693	303.437	NBEAYFISNBUMSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062912
CCCNC(c1cc(F)ccc1C)c1sc2c(c1)CCC2	PC-id_115851871	303.437	KBIUYEQJDWROBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062913
CCCNC(c1sc2c(c1)CCC2)c1cc(C)cc(c1)F	PC-id_105016411	303.437	DAUBXLUQBQMAMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062914
CCNC(c1c(C)cc(cc1C)F)c1sc2c(c1)CCC2	PC-id_106878382	303.437	QXWRIHUUINADDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062915
CCNC(c1c(C)cc(cc1F)C)c1sc2c(c1)CCC2	PC-id_106883973	303.437	QJKYEPLXZSGZFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062916
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1C)F	PC-id_105051284	303.437	XXKSFKNSMAUORL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062917
CCNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1C	PC-id_105377291	303.437	WMAVMKKMXDSPCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062918
s1c2c(CCC2)cc1C(NCC)c1cc(c(F)c(c1)C)C	PC-id_65298916	303.437	GYZSKTOLUSKNJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062919
s1c2c(CCC2)cc1C(NCCC)c1cc(c(F)cc1)C	PC-id_79723089	303.437	RXPUQQGAFHSMLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062920
s1c2c(CCC2)cc1C(NCCC)Cc1ccc(F)cc1	PC-id_63527222	303.437	GGMXVEGMEOIXNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062921
s1c2c(CCC2)cc1C(NCCC)Cc1cc(F)ccc1	PC-id_63526713	303.437	GHEBJXTYKXSHRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062922
s1c2c(CCC2)cc1C(NCCC)Cc1c(F)cccc1	PC-id_63527239	303.437	YXGBSPVCAVZONP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062923
c1(C(=O)NCCc2ccc(cc2)C)cc2c(CSC2)s1	CoCoCo_2684313,MCULE-2518957511,PC-id_4247476,EMOLS-id_16389355	303.442	OBLXULITOJNEHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062924
CCCCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109726	303.442	HECKTRJBFSFROI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062925
CC(CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109728	303.442	OXNZWAHVBJHNCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062926
Cn1nc(c2c1CCC2)CN(C(=O)C(C)(C)C)C1CCCC1	PC-id_92109727	303.442	GSNYHFGUZMSGRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062927
OC1CCCCC1C1CCCCN1Cc1cc2n(n1)CCC2	EMOLS-id_318352101	303.442	XRJYZNOMEUHBAV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-062928
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1c1cccs1	CoCoCo_4088261,ZINC22_23786439,PC-id_31361600	303.442	DJUIWEUQCBOACM-GFCCVEGCSA-N	00000010100100000000100010000000000000000000000000000000	25-01-062929
O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1c1cccs1	ZINC22_23786440,PC-id_31361601,CoCoCo_4088262	303.442	DJUIWEUQCBOACM-LBPRGKRZSA-N	00000010100100000000100010000000000000000000000000000000	25-01-062930
O=C(N1CCCC1c1cccs1)c1sc2c(c1)CCC2	EMOLS-id_29967232,MCULE-5159741335,PC-id_45850119	303.442	DJUIWEUQCBOACM-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-062931
s1c2CCCc2cc1C(=O)NCCSc1ccccc1	PC-id_9482923	303.442	WTDRXTXVFZFOMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062932
CC(C)CS(=O)(=O)N1Cc2c(C1)[nH]nc2C(C)CS	SCHEMBL20695752,PC-id_137456405	303.444	AAGQEFAVFXQJLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062933
CCCNCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053312	303.444	IUOILDLETKLJIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062934
CCCNCC(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053386	303.444	JJJXVMYGDMKJDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062935
CCNCCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053331	303.444	VCTSIYKVXSGSHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062936
CC(NCC(S(=O)(=O)Nc1sc2c(n1)CCC2)C)C	PC-id_106053350	303.444	CXHPXCCXGANXQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062937
S(=O)(=O)(Nc1sc2CCCc2n1)CCCNC(C)C	PC-id_61548814	303.444	ATYFWXSFRIZRHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062938
CNC(c1sc2c(c1)CCC2)Cc1nc2n(c1)ccs2	PC-id_105023383	303.446	FLMYDTMPALBZTP-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-062939
s1c2c(CCC2)cc1CNCc1n2c(scc2)nc1C	PC-id_61206658	303.446	CMMSPLCCIVGZAF-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-062940
C[C@]1(C2CCCCC2)CCN1C(=O)C1Cc2cscc2C1	ZINC22_1875405581	303.462	KAEJGCAAKBVQJN-GOSISDBHSA-N	00001010100010000000100010000000000000000000000000000000	25-01-062941
C[C@@]1(C2CCCCC2)CCN1C(=O)C1Cc2cscc2C1	ZINC22_1875405582	303.462	KAEJGCAAKBVQJN-SFHVURJKSA-N	00001010100010000000100010000000000000000000000000000000	25-01-062942
s1c2CN(CCOC3OCCCC3)Cc2sc1=S	PC-id_10566388	303.464	TXVBAWPEAWMGJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-062943
CCc1cc(n(n1)CC)CC(c1sc2c(c1)CCC2)NC	PC-id_105001510	303.465	IJTHRPZWMUJXAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062944
CCC(n1ccc(n1)CC(c1sc2c(c1)CCC2)N)CC	PC-id_104991708	303.465	UDLMFKPXVXURTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062945
CCCNC(c1ccnn1CCC)c1sc2c(c1)CCC2	PC-id_115857428	303.465	OOPUPBGKWUNJBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062946
CCCNC(c1sc2c(c1)CCC2)Cc1cc(nn1C)C	PC-id_104996115	303.465	MDKGHLMBUKBJSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062947
CCCNC(c1sc2c(c1)CCC2)Cc1cnn(c1)CC	PC-id_115822305	303.465	HJHUXGJCUGXHMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062948
CCCNC(c1sc2c(c1)CCC2)Cc1nccn1CC	PC-id_105009197	303.465	ZEXIGOVLBMJUSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062949
CCCNC(c1sc2c(c1)CCC2)CCc1ccnn1C	PC-id_103030831	303.465	WLKCFFHVBBZCQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062950
CCCNC(c1sc2c(c1)CCC2)CCc1cnn(c1)C	PC-id_103030054	303.465	HAIKATWOAOYQSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062951
CCCNC(c1sc2c(c1)CCC2)CCc1nccn1C	PC-id_105049814	303.465	UPASRDSRMNAXQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062952
CCNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C(C)C	PC-id_104990280	303.465	QEAUQSYPQVMQEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062953
CCNC(c1sc2c(c1)CCC2)Cc1cc(nn1C)CC	PC-id_104999304	303.465	IOCGZEBISAAXFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062954
CCNC(c1sc2c(c1)CCC2)Cc1cc(nn1CC)C	PC-id_105002869	303.465	RLKOKJLGQFRRDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062955
CCNC(c1sc2c(c1)CCC2)Cc1nccn1CCC	PC-id_105012574	303.465	WDWKJKGJWZWZIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062956
CNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C(CC)C	PC-id_104989617	303.465	GYEWNSGENMJLQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062957
s1c2c(CCC2)cc1CNC(c1c(n(nc1C)CC)C)C	PC-id_61890485	303.465	GSZSBTDFSQIAAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062958
s1c2c(CCC2)cc1CNCc1c(nn(c1)C)C(C)(C)C	PC-id_83074898	303.465	NUMPCFWJGNBCDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062959
CCCNC(c1sc2c(c1)CCC2)c1cnn(c1)CCC	PC-id_115807427	303.466	XGYROTHHHBKBNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062960
s1c2c(CCC2)cc1CNCc1nn(C(CC)CC)cc1	PC-id_64800474	303.466	ZUIUTIJVNPOXMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062961
s1c2c(CCC2)cc1C(NCCC)c1n(CCC)ccn1	PC-id_61319178	303.466	VCPPDPRKZRTRRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062962
O=C1c2c([nH]c(CCCCCCCCCCCC)c2C)CC1	PC-id_15324801	303.482	RLOZRXAJMLXBCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-062963
s1c2c(CCC2)cc1CNC(c1ccc(SC)cc1)C	PC-id_61206646	303.485	FBHXLEAWZHWORP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062964
CCCNC(c1sc2c(c1)CCC2)C1=CCCCCCC1	PC-id_106656533	303.505	CQRBFVZWSWJCFG-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-062965
Brc1nc2n(c1S(=O)(=O)Cl)CCS2	PC-id_58230827,SCHEMBL1590351	303.584	MEDOPWXKMFBUOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-062966
C[C@@H](c1c(n2c(n1)C(=N)N=N2)O)C(=O)c1ccc(cc1)Cl	PC-id_137105720	303.704	AREJLOXJPSWSOF-LURJTMIESA-N	00000011100000110001000010000000000000000000000000000000	25-01-062967
C[C@H](c1c(n2c(n1)C(=N)N=N2)O)C(=O)c1ccc(cc1)Cl	PC-id_137105721	303.704	AREJLOXJPSWSOF-ZCFIWIBFSA-N	00000011100000110001000010000000000000000000000000000000	25-01-062968
CC(=O)C(C1=Nc2n(C1=O)c(nn2)N)c1ccc(cc1)Cl	SPECS-id_AT-225/JK08952,PC-id_51058874	303.704	MJHRMFNQSAJNQJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-062969
CC(=O)[C@@H](c1ccc(cc1)Cl)c1c(n2C(=N)N=Nc2n1)O	PC-id_137105738	303.704	UOXLJDSHJZRKAU-VIFPVBQESA-N	00000011100000110001000010000000000000000000000000000000	25-01-062970
CC(=O)[C@H](c1ccc(cc1)Cl)c1c(n2C(=N)N=Nc2n1)O	PC-id_137105739	303.704	UOXLJDSHJZRKAU-SECBINFHSA-N	00000011100000110001000010000000000000000000000000000000	25-01-062971
Clc1ccc(cc1)C(=O)C(C1=Nc2n(C1=O)nnc2N)C	SPECS-id_AT-225/JK09748,PC-id_51059709	303.704	XYGFDSLQIQELLS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-062972
C1Cc2cc(c(n2C1)C(=O)Nc1cc(c(cc1)F)C#N)Cl	SCHEMBL19900989,PC-id_134285266	303.719	KGQCXHIYYLRVQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062973
Clc1sc2CCC(Nc3cc(F)c(F)c(F)c3)c2c1	PC-id_81252806	303.73	YRLKKAVMKXQGOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062974
Clc1sc2CCC(Nc3c(F)cc(F)cc3F)c2c1	PC-id_81251433	303.73	UZPOVXDXCXVWPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062975
Clc1sc2CCC(Nc3c(F)cc(F)c(F)c3)c2c1	PC-id_81252600	303.73	PHGXBZDOWCTUTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062976
Clc1sc2CCC(Nc3c(F)c(F)cc(F)c3)c2c1	PC-id_81252703	303.73	VYARCJCFYFIMNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062977
Clc1sc2CCC(Nc3c(F)c(F)c(F)cc3)c2c1	PC-id_81252154	303.73	UCQBTRIWLVFERU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062978
Cc1cc2n(c1C(=O)c1ccc(Cl)cc1)CCC2C(=O)O	SCHEMBL10957469,PC-id_13780973,CHEMBL422727	303.74	NHWXJVFVHAEJQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062979
Cc1ccc(C(=O)c2c(Cl)cc3n2CCC3C(=O)O)cc1	SCHEMBL11276607,PC-id_13068184,CHEMBL167080	303.74	UUQARVGETYYHSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062980
CCc1c(C(=O)c2ccc(cc2)Cl)n(c2c1OC(=O)C2)C	SCHEMBL7678566,PC-id_9861257	303.74	NUCQYEQCOWSUCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062981
CCC1C(=O)Oc2c1n(C)c(c2)C(=O)c1ccc(cc1)Cl	SCHEMBL7675675,PC-id_53809019	303.74	FNTPAGGQGUJRIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062982
CCn1c(cc2c1C(C)C(=O)O2)C(=O)c1ccc(cc1)Cl	SCHEMBL7674662,PC-id_54066055	303.74	MDBLPYZFRLYCIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062983
Clc1c2n(CCC2C(=O)c2ccc(OC)cc2)c(c1)C=O	PC-id_56934523	303.74	CRVREGSIMUAJBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062984
Clc1c2n(CCC2C(=O)O)c(c1C)C(=O)c1ccccc1	PC-id_20404968,SCHEMBL11006680	303.74	CQEAGQWSKSWLRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062985
Clc1c2n(CCC2C(=O)O)c(c1)C(=O)c1ccc(cc1)C	PC-id_20405037,SCHEMBL11002510	303.74	IYTCOPLYNOORLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062986
Clc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1ccccc1	SCHEMBL11003875,PC-id_53853997	303.74	GRVDNRSULHNJFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062987
Clc1cc2n(CCC2(C)C(=O)OC(=O)c2ccccc2)c1	PC-id_20528167	303.74	GFWFWKWWCKNFFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062988
Clc1cc2n(CCC2(C(=O)c2ccccc2)C(=O)OC)c1	PC-id_70551354,SCHEMBL11274323	303.74	KKGUVJCJXSYFPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062989
Clc1ccc(C(=O)c2n(c3C(C(=O)Oc3c2C)C)C)cc1	PC-id_9904549,SCHEMBL7675834	303.74	JGXPHSMMEYIXMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062990
Clc1cc(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)ccc1	SCHEMBL11603341,PC-id_20351640	303.74	SVEOGUZXVIEZKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062991
Clc1cc(C(=O)c2n(c3C(C(=O)Oc3c2C)C)C)ccc1	SCHEMBL7681067,PC-id_54519700	303.74	YOXDJLRPRDRRNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062992
Clc1c(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cccc1	SCHEMBL11604010,PC-id_20351587	303.74	GPLNMVLVIKSCJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062993
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccccc1	SCHEMBL10935982,PC-id_13068177	303.74	GDSFSXLLBJYYOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062994
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1c(cccc1)C	PC-id_20528156,SCHEMBL11272581	303.74	LXEVVZLHOCHSIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062995
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1cc(ccc1)C	SCHEMBL11270797,PC-id_20528117	303.74	LKSISHVQHTZIEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062996
Clc1c(n2c(C(CC2)(C)C(=O)O)c1)C(=O)c1ccccc1	PC-id_54553166	303.74	ZLHVVIPFMFXWPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-062997
Clc1cccc(c1)C1(CC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318599106	303.744	GRRUYODYFAQKDG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062998
Clc1ccc(cc1)C1(CC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318665536	303.744	XPDGWMHUXWIUKY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-062999
Clc1cccc(c1)[C@@H]1C[C@H]1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318582105	303.744	BJBAPXVKYVGUGR-NWDGAFQWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-063000
Clc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318675231	303.744	FBMJDCSRFLFUKU-NWDGAFQWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-063001
Clc1ccc(C(=N)n2nc(c3CCCc23)C(=O)OC)cc1	PC-id_362238,CoCoCo_5683683,NSC625842,CoCoCo_5683684	303.744	DOXXTSWCXKANMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063002
O=C(c1nn2c(c1)OCC2)NC1(CC1)c1ccccc1Cl	EMOLS-id_318583993	303.744	FZIIVQMFYRKTTD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-063003
O=C(c1nn2c(c1)OCC2)N[C@@H]1C[C@H]1c1ccccc1Cl	EMOLS-id_318443264	303.744	XFCHWPSMVIUABM-CMPLNLGQSA-N	00100010100000110001100010000000000000000000000000000000	25-01-063004
c12CN(Cc1sc(Cl)c2C(=O)O)C(=O)OC(C)(C)C	MCULE-6119565557,EMOLS-id_331066404	303.762	RPIZUTPFOYXZLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063005
Clc1nc2S(=O)(=O)CCn2c1C(=O)N1CCCCC1	PC-id_76323956	303.765	KSYQTIPTVDHBKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063006
c1(NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_3993044,CoCoCo_6782157,ZINC22_1002538,MCULE-2619492804,TIMTEC457249,PC-id_1225744	303.767	SRUMIZCKIRICBY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063007
Clc1cccc(n1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327975684,PC-id_62234366,MCULE-8711549754	303.767	AYHIQDAOYGMELA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063008
Clc1ccc(cn1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7080243401,PC-id_60629725,EMOLS-id_327973420	303.767	ZNDGVJFNUXLYAI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063009
Clc1cc(ccn1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7514927890,EMOLS-id_327963951,PC-id_60692904	303.767	LDRHRGMWACSOPT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063010
Clc1cc(ncc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_60656530	303.767	JTKARGFFZWAHLY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063011
Clc1c(C(=O)Nc2sc3CCCc3c2C#N)ccnc1	PC-id_66482530	303.767	NOHWUHQVGITEGJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063012
Clc1c(C(=O)Nc2sc3CCCc3c2C#N)cncc1	PC-id_81225508	303.767	ZCKRMWAKYLZXIH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063013
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2C)Cl)n1	MCULE-2398947692,EMOLS-id_331036171	303.787	YEHKXYDLPUMVKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063014
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2Cl)C)n1	EMOLS-id_331034890,MCULE-1233824822	303.787	DZHJDDJKXKMDLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063015
c1(C(=O)N)c2C(C)CCc2n(Cc2c(C)cccc2Cl)n1	EMOLS-id_331035146,MCULE-3091814521	303.787	MITUZYKALQFCHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063016
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)ccc2Cl)n1	MCULE-2948379234,EMOLS-id_331035658	303.787	OAFZQJCRSBTEST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063017
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(C)c2)Cl)n1	MCULE-7155807407,EMOLS-id_331036427	303.787	PQRPAGASCISICW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063018
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(C)c2Cl)n1	MCULE-8749324713,EMOLS-id_331035402	303.787	IRPSOTXTCABEDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063019
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)cc(Cl)c2)n1	EMOLS-id_331037962,MCULE-9338245715	303.787	WOWFOQVJCSBPMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063020
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(Cl)c2C)n1	EMOLS-id_331037706,MCULE-1690011444	303.787	LRUWPKDCMNKHQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063021
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)C)n1	MCULE-8741890404,EMOLS-id_331037450	303.787	OMMYFYNWYXZSNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063022
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(Cl)ccc2C)n1	MCULE-8229653798,EMOLS-id_331038218	303.787	DRYVJVFTSUTPET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063023
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1C)Cl	EMOLS-id_331022260,MCULE-1345044378	303.787	QTNUDKHAAJRIQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063024
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1Cl)C	MCULE-1065699334,EMOLS-id_331020979	303.787	VAKBLZGNMGNWIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063025
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(C)c1)Cl	EMOLS-id_331018421,MCULE-6651902577	303.787	FVQJVEGFZAFPGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063026
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(C)c1Cl	EMOLS-id_331021491,MCULE-5447788149	303.787	KFIGXIMXQXFMEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063027
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)ccc1Cl	EMOLS-id_331021747,MCULE-2936850831	303.787	OYDJAINHKOLHKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063028
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)cc(Cl)c1	EMOLS-id_331019956,MCULE-3105666291	303.787	BYBHXHITNYZRDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063029
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(Cl)c1C	EMOLS-id_331019700,MCULE-3002142202	303.787	AGKCUAUFOGNLKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063030
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)C	MCULE-4620350966,EMOLS-id_331019444	303.787	LRDSPRUISWAIHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063031
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(Cl)ccc1C	MCULE-1726243423,EMOLS-id_331020212	303.787	RBXXUNHVEGTPOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063032
c1(C(=O)NCCc2ccc(cc2)Cl)c2CCCc2n(C)n1	EMOLS-id_179745154,MCULE-6120100870,PC-id_110389030	303.787	FPULRUHSZHGTOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063033
c1(C(=O)NCCc2cccc(Cl)c2)c2CCCc2n(C)n1	PC-id_110389060,EMOLS-id_179745244,MCULE-8365459131	303.787	LFQCIUNKEVLZHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063034
CC1CCc2nn(Cc3c(C)cccc3Cl)c(C(=O)N)c12	EMOLS-id_331021235,MCULE-1507546939	303.787	XZQRTDTWOXNTBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063035
C/C=CC(=C/C=C)C1CC(c2n1nc(n2)C(=O)C1CC1)Cl	PC-id_142514984	303.787	YWQCGBRGNMDDNX-KNVSICBPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063036
Clc1ccc(cc1)[C@@H]1OCC[C@H]1NC1CCn2c1ncc2	EMOLS-id_318857212	303.787	JKPXIVUKCCJCIB-LOWNFYCTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-063037
Clc1cccc(c1)C(NC(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_318644582	303.787	UBJHFDZORNASAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063038
Clc1ccc(cc1)C(NC(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_318645774	303.787	QIAGBOPSBBRXJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063039
Clc1cccc(c1)C(NC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_318525986	303.787	ZLUWJWXPJWYEJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063040
Clc1ccc(cc1)C(NC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_318704577	303.787	GRAGCZAHXPAXHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063041
Clc1cccc(c1)C(NC(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_318384061	303.787	IOOGFIOMJAKPAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063042
Clc1ccc(cc1)C(NC(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_318491486	303.787	QZWFCBJBRMIGBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063043
Clc1cccc(c1)C(N(C(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_318712245	303.787	MPFCJVLGKSUKDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063044
Clc1ccc(cc1)C(N(C(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_318776081	303.787	RRAUBJNOXVBAHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063045
CN(C(=O)c1n[nH]c2c1CCC2)C(c1ccccc1Cl)C	EMOLS-id_318704283	303.787	MQYAYRQBQKPZGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063046
O=C(c1cc(C)c(cc1C)Cl)NCc1cnc2n1CCC2	MCULE-2523335028,EMOLS-id_320103788	303.787	LWAUGVBXFBPNLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063047
O=C(c1cc(C)c(cc1C)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318816391	303.787	DDMCCSJSSNXRPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063048
O=C(Cc1cccc(c1Cl)C)NC1CC(n2c1ncc2)C	EMOLS-id_318760461	303.787	SCQNMPKKAYYAQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063049
O=C(C(c1ccc(cc1)Cl)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318488208	303.787	UMHPXPJZUOVZLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063050
O=C(C(c1cccc(c1)Cl)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318543115	303.787	NQNDAMLETLSRPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063051
O=C(Cc1cccc(c1Cl)C)NCc1cnc2n1CCC2	EMOLS-id_319688592	303.787	CDFDBHVKIWDHOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063052
O=C(Cc1ccc(c(c1)Cl)C)NCc1cnc2n1CCC2	EMOLS-id_319822440	303.787	SOWROHXNSPCKHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063053
O=C(C(c1ccc(cc1)Cl)C)NCc1cnc2n1CCC2	EMOLS-id_320043253,MCULE-2965902771	303.787	REDJVFTWTPOKBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063054
O=C(C(c1cccc(c1)Cl)C)NCc1cnc2n1CCC2	EMOLS-id_320117210,MCULE-8873534475	303.787	WRZAFEQIAMMPNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063055
O=C(Cc1ccc(c(c1)Cl)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319539037	303.787	FBFBMQMAUMDQNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063056
O=C(Cc1ccc(cc1Cl)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319716291	303.787	FOSMUIOQCXTLLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063057
O=C(C(c1ccc(cc1)Cl)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320231612,MCULE-5366720622	303.787	VUFFFRITBPEYOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063058
O=C(Cc1c(C)cccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_318833566	303.787	XPPNNPSXJATFEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063059
O=C(Cc1c(C)cccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319642934	303.787	YKZMTKMKTZGAIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063060
O=C(NC1CC(n2c1ncc2)C)Cc1ccc(cc1Cl)C	EMOLS-id_318543686	303.787	XDXOQGXYFFRXSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063061
O=C(NC1CC(n2c1ncc2)C)Cc1ccc(c(c1)Cl)C	EMOLS-id_318659818	303.787	KPUUQCVONLAJLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063062
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(cc1Cl)C	EMOLS-id_318411154	303.787	ZJSAJHSPHIGHNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063063
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(c(c1)Cl)C	EMOLS-id_318604948	303.787	OYFUFZYOWSYNFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063064
O=C(Nc1n(C)nc2c1CCC2)Cc1cccc(c1Cl)C	EMOLS-id_318777088	303.787	FNUDKRYWXPAPQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063065
O=C(NCc1cnc2n1CCC2)CCc1ccc(cc1)Cl	EMOLS-id_319079013	303.787	VWZACZXKDWTXSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063066
O=C(NCc1cnc2n1CCC2)CCc1ccccc1Cl	EMOLS-id_319944749,MCULE-3673801685	303.787	SQPSMNDKMGANSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063067
O=C(NCc1n[nH]c2c1CCC2)CCc1ccc(cc1)Cl	EMOLS-id_318999811	303.787	KOLGKGOFIMOLOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063068
O=C(NCc1n[nH]c2c1CCC2)CCc1ccccc1Cl	EMOLS-id_319361818	303.787	XZDDREQGOHDQSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063069
O=C(NCc1n[nH]c2c1CCC2)CCc1cccc(c1)Cl	MCULE-9144413351,EMOLS-id_319978470	303.787	UFGHODADCAKVMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063070
Clc1ccc(s1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316434474,MCULE-1777844029	303.788	BWNAGEJBBVQJHO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063071
Clc1cnc(s1)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318566392	303.788	DDAFHSOZIACAAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063072
Clc1ncc(s1)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318598380	303.788	UBRFGYWIGICKEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063073
Clc1scc(n1)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318451302	303.788	LESXKOYVWJWDOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063074
c12CN(Cc1sc(OC)c2CCl)C(=O)OC(C)(C)C	EMOLS-id_331063331,MCULE-4798331687	303.805	BOEMTJMYOVJMOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063075
N#Cc1ccc(cc1Cl)CNCc1sc2c(n1)CCC2	EMOLS-id_318606552,MCULE-6277527780	303.81	PLJRWQLNHWXAJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063076
Clc1ccc(C(N)c2c3c(oc2C(C)(C)C)CCC3)cc1	PC-id_83610516	303.826	NXUXRIGFTIAPLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063077
CCc1cc(Cn2nc3CCC(C)c3c2CN)ccc1Cl	EMOLS-id_330994365,MCULE-5003685217	303.83	PONUPZMVEPSXIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063078
CCc1cc(Cn2nc(CN)c3C(C)CCc23)ccc1Cl	EMOLS-id_331016690,MCULE-4205856249	303.83	ZKBVSZFCXDUEIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063079
COCCOCCCCNC1CCc2c1cc(s2)Cl	PC-id_116017415	303.848	CZCHMPPPCBNUBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063080
Clc1sc2c(C(NC(C3CC3)c3ccccc3)CC2)c1	PC-id_81234952	303.85	HRKCDVRJQPZENW-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-063081
CCC(CNC1CCc2c1cc(s2)Cl)(SC)CC	PC-id_105812561	303.914	JPUVSDIRPJQGCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063082
CSCCCCCCNC1CCc2c1cc(s2)Cl	PC-id_105889823	303.914	DWVXSXXRBJBXLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063083
C1C2=C(C(=N1)I)SC(=C2)CN=[N+]=[N-]	PC-id_161677931	303.928	XVFCDOAFWPKSGX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-063084
C1C2=CN(N=C2CN1)S(=O)(=O)C3=NN(C=N3)CC(F)F	PC-id_164931915	304.055	WQRQARFOCFHEBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063085
C1C2=CN(N=C2C[NH2+]1)S(=O)(=O)C3=CN(C=N3)CC(F)F	PC-id_164931921	304.067	ZXTQFVBFTXVLOV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-063086
CCOC(=O)C1=NN2CC(OC2=C1)CCOS(=O)(=O)C	PC-id_153545765	304.073	MWGQLLXPSVPDCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063087
IC1=C(Cc2c1occ2)C(=O)OCC	PC-id_59163092	304.081	BNOFGBUATRCPOJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-063088
CN1C(=CC=C1SC)C(=O)C2=CC=C3N2CCC3C(=O)O	PC-id_154367326	304.088	ZJEAMXAHMZAABF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-063089
CC1(CCN2C1=C(C(=N2)CC(=O)OC3=CC=CC=C3)Cl)C	PC-id_149530418	304.098	ZMNHTDMJXVNQHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063090
CC(=O)N1CC2=C(C1)NN=C2C(CC3=CC=CS3)C(=O)N	PC-id_153863683	304.099	AOWVTYKYXCBLQC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063091
CC1C2=C(CN1C(=O)[O-])N(N=C2NC(=O)C3=NOC(=C3)C)C	PC-id_154484769	304.105	AONDYMBFCLZAFD-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-063092
CC1=C(C=CC=C1Cl)NC(=O)C(C)N2CCN3C2=NC=C3	EMOLS-id_257948585,PC-id_154766867,MCULE-1746502081	304.109	KOXBXUJBPQFRGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063093
C=CC(=O)NC1(CCC1)CNC(=O)C2=CC3=C(S2)CCC3	PC-id_154832736,MCULE-1317209396,ZINC22_1875371129	304.125	PRRNBBKTQPYVCZ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-063094
Ic1c2COCc2nn1CC1CCC1	EMOLS-id_324399701,MCULE-2101082410	304.127	CGVSXWKZYFOIOP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-063095
CC(CONC(=O)c1nn2c(c1Br)CCC2)O	EMOLS-id_318950574	304.14	BAYBZSPSWCAPCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063096
C1CC2=NC=NN2C1CN3CCC(CC3)C(C(F)(F)F)O	PC-id_154746447,MCULE-7067438611,EMOLS-id_317352967	304.151	FDRZYMYYQMDBMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063097
C1CC(CCN(C1)CC2CCC3=NC=NN23)(C(F)(F)F)O	EMOLS-id_317351944,PC-id_154740465,MCULE-6249862474	304.151	XJKFHEDETZFBJK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063098
c12CCC(C)c1c(nn2C(C)CC)I	EMOLS-id_330983925,MCULE-4954807007	304.171	WLMKLPNFZKJSGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063099
c12C(C)CCc1n(nc2I)CC(C)C	MCULE-9683313320,EMOLS-id_330982131	304.171	UONAUCXMZQOKKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063100
c1(I)c2C(C)CCc2nn1C(C)(C)C	MCULE-5237578666,EMOLS-id_330966710	304.171	IWHLPTBLTUKJRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063101
c1(I)c2C(C)CCc2nn1C(C)CC	MCULE-5600393224,EMOLS-id_330961085	304.171	FVKKBPGGIUNDRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063102
CC1CCc2c1c(I)nn2C(C)(C)C	MCULE-1187174068,EMOLS-id_330985460	304.171	JZQHUXLUVCTQKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063103
CC(C)Cn1nc2CCC(C)c2c1I	MCULE-8804431944,EMOLS-id_330967476	304.171	VSYLRZRUUBRBDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063104
C[C@@H]1C[C@@H](c2c1n(nc2)C(C)(C)C)I	SCHEMBL19250961	304.171	PAQJOZDWBUVRRO-APPZFPTMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063105
O=Cc1cc2c([nH]1)CCC2Cc1ccc(cc1)Br	PC-id_144126418	304.182	IECQTDNLZASDHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063106
CC(C)(C)OC(=O)c1sc2CNCc2c1Br	EMOLS-id_329968104	304.203	ZBHQJVMZEJYUIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063107
COCCN1C(=O)c2c(C1(C)C)sc(c2)Br	PC-id_121439697,SCHEMBL17873717	304.203	JLFBDMWLKTZCCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063108
CC1(c2c(C(N1O)(C)C)[se]c(c2N)[N+](=O)[O-])C	PC-id_134857126	304.204	FDIATAGAQINMRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063109
O=C1CN(CN1CC(F)(F)F)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99609370	304.225	UHRMCZCGLZRZSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063110
BrCCCCCCn1sc2c(CCC2)c1=O	PC-id_85734220	304.246	JCXNHKCLVPRIGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063111
Clc1sc2c(C(NCc3sc(Cl)cc3)CC2)c1	PC-id_81252505	304.258	XMKWASDEHYXALB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-063112
Clc1sc(Cl)cc1C(N)c1sc2c(CCC2)c1	PC-id_43464801	304.258	VSDLDMUZNQMOFL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-063113
[O-][N+](=O)c1c(NCc2n3CCCc3nn2)ccc([N+](=O)[O-])c1	PC-id_24590551	304.261	SPPZLYZADDPISH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063114
C[C@@H](NC(=O)CC(F)(F)F)C(=O)N=c1cc2n([nH]1)CCC2	ZINC22_1875274489	304.268	CUPIENDBXVYATL-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063115
C[C@H](NC(=O)CC(F)(F)F)C(=O)N=c1cc2n([nH]1)CCC2	ZINC22_1875274490	304.268	CUPIENDBXVYATL-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063116
O=C(c1cc2n(n1)CCO2)NC1CC(C1)NCC(F)(F)F	MCULE-1045815817,EMOLS-id_320216424	304.268	PTRXAIASKCQNPT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-063117
O=C(C1NCc2c1c[nH]n2)N1CCOC(C1)(C)C(F)(F)F	EMOLS-id_319499567	304.268	MYCOGDMHLHOAMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063118
O=C(C1NCc2c1c[nH]n2)N1CCOC(CC1)C(F)(F)F	EMOLS-id_318928644	304.268	GJMJSEMQWIWDHV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063119
O=C(CC(F)(F)F)NC(C(=O)Nc1nn2c(c1)CCC2)C	PC-id_146105917,EMOLS-id_324064111,MCULE-6778214719	304.268	CUPIENDBXVYATL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063120
C1Cc2nnc(n2C1C(=O)O)CNC(=O)c1ccc(cc1)F	PC-id_134791319	304.276	OUIWLGXZCJUJNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063121
Fc1ccc(CC(=O)Nn2nc3c(CN(C3)C(=O)O)c2)cc1	PC-id_23139806	304.276	GFSZXUZIXWRRDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063122
c1csc2C(=O)C(=CN(C)C)C(NC(=O)C(F)(F)F)c12	EMOLS-id_27478666,PC-id_3788297,MCULE-9193005147	304.288	CMVMKIWABGOSPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063123
CN(C)/C=C
/C(=O)c2sccc2[C@H]1NC(=O)C(F)(F)F	7112504_OpenMolecule,ZINC22_1386558	304.288	CMVMKIWABGOSPV-WVXIBAHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-063124
CN(C)/C=C/1C(=O)c2sccc2[C@H]1NC(=O)C(F)(F)F	PC-id_1474724,ZINC22_12861331	304.288	CMVMKIWABGOSPV-GRKOMRHMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063125
CN(C)/C=C/1C(=O)c2sccc2[C@@H]1NC(=O)C(F)(F)F	ZINC22_12861336,PC-id_1474722	304.288	CMVMKIWABGOSPV-TVSKSKRASA-N	00000010100000000000000010000000000000000000000000000000	25-01-063126
CN(C)/C=C
/C(=O)c2sccc2[C@@H]1NC(=O)C(F)(F)F	ZINC22_1386556	304.288	CMVMKIWABGOSPV-IVGLGHLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063127
O=C(C(F)(F)F)NC1/C(=CN(C)C)/C(=O)c2sccc12	MCULE-2728349558,PC-id_145709100	304.288	CMVMKIWABGOSPV-FNORWQNLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063128
s1c2c([C@H](NC(=O)C(F)(F)F)C(=CN(C)C)C2=O)cc1	PC-id_6986604	304.288	CMVMKIWABGOSPV-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063129
s1c2c([C@@H](NC(=O)C(F)(F)F)C(=CN(C)C)C2=O)cc1	PC-id_6986605	304.288	CMVMKIWABGOSPV-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063130
s1c2c(C(NC(=O)C(F)(F)F)/C(=C/N(C)C)/C2=O)cc1	PC-id_5923071	304.288	CMVMKIWABGOSPV-ALCCZGGFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063131
Fc1c(CNC(=O)c2c3CCC(=O)c3[nH]c2C)c(F)ccc1	SCHEMBL5253933,PC-id_21051548	304.291	SRVFPNJQDYUHGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063132
CC(c1nnc2n1CCC2)Nc1nnc(s1)C(F)(F)F	EMOLS-id_318701962,MCULE-8004181003	304.295	VZRVQLGRUSFNLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063133
CC(c1nnc2n1CCC2)Nc1snc(n1)C(F)(F)F	MCULE-8270721029,EMOLS-id_318390730	304.295	BFUOIOAMTDAWOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063134
S1(=O)(=O)N(C(=O)c2sc(cc12)C(=O)N)CC(=O)OC	PC-id_16639993	304.3	BHUMAJVMGJAVKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063135
COC(=O)c1c(NC(=O)NCc2ccco2)nc2n1CCC2	EMOLS-id_319571827	304.301	TZYBHYUBTUHPFD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-063136
COC(=O)c1c(NC(=O)NCc2cocc2)nc2n1CCC2	EMOLS-id_319877896	304.301	YFPNMKRTOSNQLW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-063137
Cn1c(=O)ccn(CC(=O)NCc2nnc3n2CCC3)c1=O	EMOLS-id_320295419,MCULE-4581077720,ZINC22_32059006	304.305	IGZDWYRKRTZLKF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063138
Cn1ncnc1[C@@H]1COCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_365640673	304.305	CIILKDXBKXNGBU-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-063139
Cn1ncnc1[C@H]1COCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_365640674	304.305	CIILKDXBKXNGBU-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063140
O=C(N1CCOCC1c1ncnn1C)c1nn2c(c1)OCC2	EMOLS-id_316207875,MCULE-3263060440	304.305	CIILKDXBKXNGBU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063141
O=C(NC(c1n2CCCc2nn1)C)Cn1[nH]c(=O)ccc1=O	PC-id_53517600	304.305	YOLNZNUONZIZQX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063142
NC(=O)Cn1cc(NC(=O)NCc2nnc3n2CCC3)cn1	MCULE-6572844492,PC-id_53509399,EMOLS-id_35722618,ZINC22_65496704	304.308	UDHVYQCILMEPTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063143
c12CN(Cc1nn(C(C)C)c2C(=O)NCC)CC(F)(F)F	EMOLS-id_324357216,MCULE-9242947017	304.311	DLWLHZPGMSOARB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063144
c12CN(Cc1nn(CC(C)C)c2C(=O)NC)CC(F)(F)F	EMOLS-id_324350061,MCULE-3423684707	304.311	LAQBAOAEDOBPQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063145
c1(C(=O)N(C)C)n(CCC)nc2CN(CC(F)(F)F)Cc12	EMOLS-id_324350825,MCULE-4835481719	304.311	JRJGKDSSJLWWHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063146
CC(c1nnc2n1CCC2)NC1CCOC(C1)C(F)(F)F	EMOLS-id_97715156	304.311	VEPHGRYVJHNUNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063147
FC(COC1CCCN(C1)CC1CCc2n1ncn2)(F)F	MCULE-6062521209,EMOLS-id_316090257	304.311	UOHQTXWFDIAHBK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063148
FC(F)(F)CO[C@@H]1CCCN(C[C@H]2CCc3ncnn23)C1	ZINC22_639501559	304.311	UOHQTXWFDIAHBK-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063149
FC(F)(F)CO[C@H]1CCCN(C[C@H]2CCc3ncnn23)C1	ZINC22_639501560	304.311	UOHQTXWFDIAHBK-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-063150
FC(F)(F)CO[C@H]1CCCN(C[C@@H]2CCc3ncnn23)C1	ZINC22_639501561	304.311	UOHQTXWFDIAHBK-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063151
FC(F)(F)CO[C@@H]1CCCN(C[C@@H]2CCc3ncnn23)C1	ZINC22_639501562	304.311	UOHQTXWFDIAHBK-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063152
OC(C(F)(F)F)C1CCCN(C1)CC1CCc2n1ncn2	EMOLS-id_316088979,MCULE-1983451100	304.311	WIIKMGPYKZDWII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063153
O[C@H]([C@@H]1CCCN(C[C@H]2CCc3ncnn23)C1)C(F)(F)F	ZINC22_639632409	304.311	WIIKMGPYKZDWII-CKYFFXLPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063154
O[C@H]([C@H]1CCCN(C[C@H]2CCc3ncnn23)C1)C(F)(F)F	ZINC22_639632411	304.311	WIIKMGPYKZDWII-HOSYDEDBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063155
O[C@H]([C@H]1CCCN(C[C@@H]2CCc3ncnn23)C1)C(F)(F)F	ZINC22_639632413	304.311	WIIKMGPYKZDWII-JBLDHEPKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063156
O[C@H]([C@@H]1CCCN(C[C@@H]2CCc3ncnn23)C1)C(F)(F)F	ZINC22_639632415	304.311	WIIKMGPYKZDWII-JFGNBEQYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063157
c1(NC(=O)c2c(cccc2F)F)sc2c(CCC2)c1C#N	EMOLS-id_3993252,ChEMBL-DNDi_CHEMBLF0301-0184,TIMTEC69195,PC-id_4548298,ZINC22_2763823,CoCoCo_4970161,MCULE-6261916232	304.315	BAZUIDRBOPJQAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063158
CCNC(=NCc1nnc2n1CCC2)NCCC(F)(F)F	PC-id_111778309	304.315	WKWKJZYAVCBXTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063159
Fc1ccc(cc1F)C(=O)Nc1sc2CCCc2c1C#N	PC-id_4425993,EMOLS-id_182642145,MCULE-9261396383	304.315	JHALCLRTARZRDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063160
Fc1ccc(C(=O)Nc2sc3CCCc3c2C#N)c(F)c1	EMOLS-id_182641724,PC-id_108808614,MCULE-3298167616	304.315	LUHRNSNDWJEHRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063161
Fc1ccc(F)c(c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6949052398,EMOLS-id_322613346	304.315	JVDHCXHUYVYIKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063162
s1c2CCCc2c(c1NC(=O)c1c(F)c(F)ccc1)C#N	PC-id_62660657	304.315	AIAYKHALXLHHPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063163
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2F)OC)n1	EMOLS-id_330984958,MCULE-1866242691	304.316	CHYDCQUHNKXQNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063164
c1(C(=O)O)c2C(C)CCc2n(Cc2c(cccc2F)OC)n1	EMOLS-id_330986480,MCULE-5059736310	304.316	UJGNBLXMDYIAPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063165
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2OC)F)n1	EMOLS-id_330986736,MCULE-8713024995	304.316	QXEIKRPQFZDAHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063166
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(F)c2)OC)n1	MCULE-2628839918,EMOLS-id_330984702	304.316	JWERHNMLBQKTSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063167
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(F)c2OC)n1	MCULE-6062953621,EMOLS-id_330986992	304.316	BQGVONQBFVLJRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063168
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(OC)c2F)n1	EMOLS-id_330983166,MCULE-5360914932	304.316	XLASZPOTVROQIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063169
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(OC)c2)F)n1	EMOLS-id_330983422,MCULE-3198590684	304.316	BOEPNOGBGHOJNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063170
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)ccc2OC)n1	EMOLS-id_330986224,MCULE-6282459030	304.316	HCLHLXLCJPLCGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063171
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(OC)ccc2F)n1	EMOLS-id_330982910,MCULE-1412844199	304.316	WEHIWEJEACLSQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063172
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(OC)cc(F)c2)n1	EMOLS-id_330983678,MCULE-9806795382	304.316	LRLNXHMOAGMOQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063173
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1F)OC	EMOLS-id_330967994,MCULE-6605606491	304.316	UBAZCNKCVMBAFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063174
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1OC)F	MCULE-4374333376,EMOLS-id_330965692	304.316	ZBSLGCPYDHXNEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063175
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(F)c1OC	EMOLS-id_330965948,MCULE-8402925531	304.316	WHQHHLQAHYVGAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063176
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(F)c1)OC	EMOLS-id_330967738,MCULE-6462460682	304.316	OVANBNKNKVBTTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063177
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(OC)c1F	MCULE-7848603430,EMOLS-id_330966202	304.316	WYXFGAOVAQIJBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063178
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)F	MCULE-8316322845,EMOLS-id_330966458	304.316	GXOCJWKVUCKZHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063179
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)ccc1OC	EMOLS-id_330965180,MCULE-1962321887	304.316	JTPWLOPOSCVKGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063180
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(OC)ccc1F	EMOLS-id_330965946,MCULE-6623487477	304.316	DTRAOUMFQZTVBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063181
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(OC)cc(F)c1	EMOLS-id_330966714,MCULE-8778242309	304.316	PTGQCUYSLCWDFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063182
s1c2CN(Cc2nc1N)C(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_82194186	304.324	YPZIWRMQQWSYJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063227
COc1cccc(F)c1Cn1nc2CCC(C)c2c1C(=O)O	MCULE-2810137382,EMOLS-id_330965436	304.316	OFXULNOEAFHABX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063183
s1c2c(CCC2)c(c1NC(=O)c1ccc(F)cc1)C(=O)[O-]	PC-id_6948148	304.316	FSAQWXZVBNUNSU-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-063184
s1c2c(CCC2)c(c1NC(=O)c1c(F)cccc1)C(=O)[O-]	PC-id_3618897	304.316	YTCLNFRWWDXEMR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-063185
c12CN(Cc1nn(CCF)c2N)C(=O)OCc1ccccc1	EMOLS-id_324339815,MCULE-9681558045	304.319	DSSIFJZTFVXAIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063186
CCCOc1ccc(cc1F)NC(=O)N1CCn2c1ncc2	EMOLS-id_318532754	304.319	JPJHCVPOXSACHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063187
CCCOc1cc(F)ccc1NC(=O)N1CCn2c1ncc2	EMOLS-id_318727181	304.319	ICTZLTYAQYJQCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063188
CC(Oc1ccc(c(c1)F)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318507377	304.319	BSPSFYRZAIFWAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063189
CC(Oc1cc(F)ccc1NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318544061	304.319	KVXDBYYTOXYHTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063190
COc1ccc(cc1CCNC(=O)C1NCc2c1c[nH]n2)F	EMOLS-id_319503035	304.319	HRJCWCOLUDSYST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063191
COC(c1ccc(cc1)F)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318787651	304.319	CIBCFAZUSWUXRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063192
O=C(C1NCc2c1c[nH]n2)N(CCOc1ccccc1F)C	EMOLS-id_319988168,MCULE-9014556994	304.319	JQZCWKYQHNSFRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063193
O=c1cccc([nH]1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108107698	304.321	CMOMQYCLNPOJOE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063194
O=c1[nH]ccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108104614	304.321	OHEIIEHLAHKGKJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063195
O=C(c1sc2c(c1)CCC2)Nc1cc(ccc1O)[N+](=O)[O-]	PC-id_103602359	304.321	NLUBGPDFHCCZQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063196
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1O)[N+](=O)[O-]	PC-id_103602408	304.321	NQQQIMMEAVLOCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063197
O=C(c1sc2c(c1)CCC2)Nc1c(O)cccc1[N+](=O)[O-]	PC-id_107681199	304.321	SXYLNHQZCPVGCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063198
OC(=O)c1c(sc2c1CCC2)NC(=O)c1c[nH]ccc1=O	PC-id_108097961	304.321	SQVLLVCGNTYCKP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063199
s1c2c(CCC2)c(c1NC(=O)c1c(O)cncc1)C(=O)O	PC-id_81439304	304.321	KNBPUVMLNMRDBV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063200
S1Cc2c(noc2NC(=O)c2ccc(cc2)C(=O)OC)C1	PC-id_49719011	304.321	BNHUBEXZDIEJGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063201
c1(NC(=O)c2ccc(cc2)N(=O)=O)n(C)nc2CSCc12	EMOLS-id_334563508,MCULE-7611160766	304.324	JVYUORNWWHEUGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063202
c1(NC(=O)c2cccc(c2)N(=O)=O)n(C)nc2CSCc12	EMOLS-id_36514027,ZINC22_71286052,STOCK7S-22488,MCULE-3654991863,PC-id_56762350	304.324	KUCDXBNICJUEDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063203
c1(NC(=O)Nc2ccc(cc2)N(=O)=O)sc2c(CCC2)n1	MCULE-7967462375,CoCoCo_4975693,PC-id_3387565,EMOLS-id_30102464,ZINC22_4079337	304.324	JGZMLZFMHKDHRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063204
c1(sc2c(CNC2)n1)NC(=O)c1ccc(c(C)c1)N(=O)=O	PC-id_82194077,MCULE-5897515480	304.324	HMPSMECQQVUBLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063205
COc1ccc(cc1)NC(=O)CC1Sc2n(C1=O)ncn2	CK1984395,EMOLS-id_2579292,PD096096,MCULE-2921437970,ChEMBL-DNDi_CHEMBL243644,PC-id_3607474,STOCK5S-87758,CHEMBL243644	304.324	KSYONHWIFPZGSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063206
COc1ccc(NC(=O)C[C@@H]2Sc3ncnn3C2=O)cc1	CoCoCo_5922021,ZINC22_579141,PC-id_965930	304.324	KSYONHWIFPZGSJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-063207
COc1ccc(NC(=O)C[C@H]2Sc3ncnn3C2=O)cc1	CoCoCo_5922022,PC-id_965931,ZINC22_579142	304.324	KSYONHWIFPZGSJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063208
NC(=O)c1c(NC(=O)c2ccc(=O)[nH]n2)sc2c1CCC2	PC-id_4852553,ZINC22_6650939,EMOLS-id_324520056	304.324	NOPGODSDMNCQIL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063209
NC(=O)c1c(NC(=O)[C@@H]2C=CC(=O)N=N2)sc2CCCc12	EMOLS-id_337291887	304.324	RKEZIVCOOFLZFQ-ZETCQYMHSA-N	00000010100011000001000010000000000000000000000000000000	25-01-063210
O=C(c1cccc(c1N)[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_115678556	304.324	GXSYQLZYZATODW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063211
O=C(c1cccc(c1[N+](=O)[O-])N)Nc1sc2c(n1)CCC2	PC-id_115548845	304.324	AWDUZEMASZREGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063212
O=C(Nc1cccnc1C(=O)O)Nc1sc2c(n1)CCC2	PC-id_104743425	304.324	SFZXZXPMTNURDC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063213
s1c2CCCc2cc1C(=O)NNC(=O)C1N=NC(=O)C=C1	PC-id_74598468	304.324	FZGILZQQSRKXTB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-063214
s1c2CCCc2cc1C(=O)NNC(=O)c1n[nH]c(=O)cc1	PC-id_29763722	304.324	FKVYOYDQOVOTEG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063215
s1c2c(CCC2)c(c1NC(=O)C1N=NC(=O)C=C1)C(=O)N	PC-id_78367932	304.324	RKEZIVCOOFLZFQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-063216
s1c2CCCc2nc1NC(=O)c1cc(N)c([N+](=O)[O-])cc1	PC-id_62682309	304.324	JWQBVLYXVXCOOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063217
s1c2CCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(N)cc1	PC-id_33039669	304.324	KPWOBQUEXPPSMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063218
s1c2CCCc2nc1NC(=O)c1c(N)ccc([N+](=O)[O-])c1	PC-id_62058884	304.324	BLIBNMBWZVUVPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063219
s1c2CCCc2nc1NC(=O)c1c([N+](=O)[O-])ccc(N)c1	PC-id_62186154	304.324	TZFVXJOWMHTQGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063220
s1c2CCCc2nc1NC(=O)Nc1cc(cnc1)C(=O)O	PC-id_63157673	304.324	KRXAGEZWLYWGCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063221
s1c2CCCc2nc1NC(=O)Nc1ccc(nc1)C(=O)O	PC-id_81693263	304.324	YZFWUIMYVMNONF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063222
s1c2c(nc1NC(=O)Cc1c([N+](=O)[O-])cccc1)CNC2	PC-id_82194126	304.324	XFQWEUQIHCLXQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063223
s1c2CN(Cc2nc1N)C(=O)c1cc(c([N+](=O)[O-])cc1)C	PC-id_82194188	304.324	JVQFHVNOPVDZMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063224
s1c2CNCc2nc1NC(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_82194075	304.324	AVOBNPISBSVWGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063225
s1c2CNCc2nc1NC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_82194087	304.324	CLWGTOQIZODCII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063226
s1c2CN(Cc2nc1N)C(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_82194197	304.324	ZALIHGYQKNABKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063228
s1c2CN(Cc2nc1N)C(=O)Cc1c([N+](=O)[O-])cccc1	PC-id_82194237	304.324	WPBPYUOGUUCFBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063229
S1CCn2c1nnc2NC(=O)c1c(cccc1)C(=O)OC	PC-id_44007657	304.324	SNKXUKRVNQXAOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063230
C=CC(=O)N(Cc1nc2c(s1)CCC2)[C@H](C)C(F)(F)F	ZINC22_1875388120	304.331	NOXNCYZFTSGXGX-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063231
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988979,MCULE-7129964356	304.334	VIMSDEVYHBBQCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063232
c1(NC(=O)CS(=O)C(F)F)sc2c(CCC2)c1C#N	EMOLS-id_320675950,MCULE-8868496494	304.336	OMZXMQVHHZMQAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063233
O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc(F)cc1	PC-id_9105575,ZINC22_7977750,EMOLS-id_43696766,CoCoCo_2840931,MCULE-2889218186	304.336	JJCIUKXAERGPGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063234
OC(=O)C1CCc2c1sc(c2C(=O)c1ccc(cc1)F)C	PC-id_13787403,SCHEMBL10744209	304.336	BHXMVTDMDHGONG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063235
Fc1ccc(c(c1)F)C1(CCC1)NC1CC(n2c1ncn2)C	EMOLS-id_318572829	304.338	MADUTTVTCBWBPT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-063236
Fc1cc(cc(c1)F)C1CC(C1)NCc1nnc2n1CCC2	MCULE-6001546657,EMOLS-id_318446940	304.338	CCBVRIMJWPQUFR-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-063237
Fc1ccc(c(c1)F)C1(CNC2CC(n3c2ncn3)C)CC1	MCULE-7613429519,EMOLS-id_318474345	304.338	QORKGWPVYZMTCC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-063238
Fc1ccc(c(c1)F)N1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318112671	304.338	RFRQSOUHULUYTM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-063239
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	BAS-06184867,ZINC22_37917,BindingDB_PC-id_675164,PC-id_675164,CHEMBL1604431,CoCoCo_346233,BindingDB-id_136140,ChEMBL-DNDi_CHEMBL1604431,EMOLS-id_1132738,MCULE-9912587012	304.339	APSCBHPLIJURCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063240
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)N	MCULE-4162186953,TIMTEC550811,CoCoCo_346178,BAS-06179466,EMOLS-id_1052003,ZINC22_440480,PC-id_873021	304.339	XMFOBTPSNBPVGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063241
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)N	EMOLS-id_2259676,MCULE-9885144007,ZINC22_468455,CoCoCo_940882,PC-id_892482	304.339	HAAUAZOTJUHTAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063242
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(F)cc1	PC-id_27684403	304.339	ATADBJOXJCHDQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063243
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(F)ccc1	PC-id_26872819	304.339	ZBJNSRPHGOHIIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063244
s1c2CCCc2cc1C(=O)NNC(=O)c1c(F)cccc1	PC-id_27684421	304.339	OEKFTZXTZXOCRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063245
C1CC(CNC1)C(=O)N(C1CC1)C(=O)c1nn2CCOc2c1	PC-id_91959833	304.344	BIYPVNPRZDGSHO-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-063246
Cc1c(c(no1)C)CCC(=O)N1Cc2c(C1)n(nc2)CCO	PC-id_86285470	304.344	OYJSKPBLJCPFME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063247
C#CC(C(C)C)NC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319021378	304.344	IXJCOLCKQYFGED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063248
CCCN(C(=O)c1n[nH]c2c1CCC2)C1CC(=O)N(C1=O)C	EMOLS-id_97901675	304.344	KACJPSPMNACLEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063249
CN(C)C(=O)c1nn(C)c2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)C2	EMOLS-id_313749201,ZINC22_1565550319	304.344	YSFPADWVOFESJD-IAZYJMLFSA-N	00100010100000000001010010000000000000000000000000000000	25-01-063250
COC(=O)c1c(NC(=O)N2CCC3C(C2)C3)nc2n1CCC2	EMOLS-id_319496940	304.344	GACURAOFCBYRCT-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-063251
COC(=O)c1c(NC(=O)N2CCC(=CC2)C)nc2n1CCC2	EMOLS-id_319349578	304.344	SQIRVXBAPSQFKN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-063252
COC(=O)c1c(NC(=O)N[C@@]23CCC[C@@H]2C3)nc2n1CCC2	EMOLS-id_318989617	304.344	RUVDGYHTBNBRLO-RFAUZJTJSA-N	00100010100010000001010010000000000000000000000000000000	25-01-063253
COC(=O)c1c(NC(=O)NC2CC3C(C2)C3)nc2n1CCC2	EMOLS-id_319708447	304.344	XOHPEAIFOINQHF-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-063254
COC(=O)c1c(NC(=O)NC2CCC=CC2)nc2n1CCC2	EMOLS-id_319756156	304.344	MRFUQRZMNYRDTP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-063255
O=C(N1CCCC1)C1CCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99607531	304.344	GHWIMISQKAYHSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063256
O=C(NC[C@H](CO)Cc1ccoc1)N[C@@H]1CCn2ccnc12	ZINC22_883717170	304.344	COJFKIYHJNOTIW-CHWSQXEVSA-N	00000010101000000001000010000000000000000000000000000000	25-01-063257
O=C(NC[C@H](CO)Cc1ccoc1)N[C@H]1CCn2ccnc12	ZINC22_883717171	304.344	COJFKIYHJNOTIW-OLZOCXBDSA-N	00000010101000000001000010000000000000000000000000000000	25-01-063258
O=C(NC[C@@H](CO)Cc1ccoc1)N[C@@H]1CCn2ccnc12	ZINC22_883717172	304.344	COJFKIYHJNOTIW-QWHCGFSZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-063259
O=C(NC[C@@H](CO)Cc1ccoc1)N[C@H]1CCn2ccnc12	ZINC22_883717173	304.344	COJFKIYHJNOTIW-STQMWFEESA-N	00000010101000000001000010000000000000000000000000000000	25-01-063260
Cc1c(C(=O)N2CCn3nccc23)cccc1c1ccccn1	MCULE-4864489506,EMOLS-id_177277513,ZINC22_375562218	304.346	ASNFGMRAVTVWNB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-063261
O=C(c1cc2c([nH]1)C=CC2)NCc1c[nH]c(n1)c1ccccc1	SCHEMBL18525325	304.346	UVCYQYPDOFIOMB-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-063262
c1(C(=O)NCCc2nncn2CCOC)c2CCCc2[nH]n1	PC-id_77082426,ZINC22_215267352,EMOLS-id_49873186,MCULE-7282897725	304.348	NFGYVYKBNIAWQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063263
Cc1noc(C)c1CN(C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_45753820,PC-id_71893458,MCULE-7151890382,ZINC22_45387426	304.348	MWKRCDHAEATHEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063264
Cc1noc(CCCC(=O)N[C@H](C)c2nnc3n2CCC3)n1	PC-id_94112670,ZINC22_46781600	304.348	JCVMJAGUJAZGBR-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063265
Cc1noc(CCCC(=O)N[C@@H](C)c2nnc3n2CCC3)n1	ZINC22_46781595,PC-id_94112669	304.348	JCVMJAGUJAZGBR-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-063266
CC(C)c1cc(NC(=O)NCCc2nnc3n2CCC3)no1	MCULE-7684123085,ZINC22_86301117,EMOLS-id_45663889,PC-id_71922303	304.348	FHGBQMOTJHDFGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063267
CC(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCC#C	PC-id_134789642	304.348	LKAYDUCTPTWDPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063268
COCCCn1cc(c(n1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319851876	304.348	CMVPSEDNHOHIKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063269
O=C(N1CC(=O)N(C1)CC1CC1)NCc1nnc2n1CCC2	EMOLS-id_100951968	304.348	VUMXMZXFCIHAEG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063270
O=C(NC(c1n2CCCc2nn1)C)CCCc1onc(n1)C	MCULE-6771760898,PC-id_53505494,EMOLS-id_35709692	304.348	JCVMJAGUJAZGBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063271
CC(C)Cc1nnc(NC(=O)NCc2nnc3CCCn23)[nH]1	PC-id_31161147,CoCoCo_1561097,EMOLS-id_232776848,MCULE-5794345266,CoCoCo_1561098,ZINC22_23505593,CoCoCo_1561099	304.351	IRPIFPQUJFIWRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063272
CCCCn1nnnc1NC(=O)NCc1[nH]nc2c1CCC2	CoCoCo_1614997,PC-id_31223906,CoCoCo_1614996	304.351	WEXKPFYQSILPGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063273
NC(c1sc2c(c1)CCC2)c1cnc(s1)C(F)(F)F	PC-id_106785345	304.354	KWDMZGJYXVYZTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063274
N#Cc1cc(F)c(c(c1)F)CNCc1sc2c(c1)CCC2	PC-id_107038126	304.358	OEQWQHYPLISGMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063275
CC1CCc2c1c(CO)nn2Cc1ccc(OCCF)cc1	EMOLS-id_331007992,MCULE-8478791388	304.359	AGQJJMMSLSWKTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063276
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(CO)c12	EMOLS-id_330990771,MCULE-4912878828	304.359	PSLUNLWDIKJWHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063277
CCOc1ccc(Cn2nc3CCC(C)c3c2CO)cc1F	EMOLS-id_330990515,MCULE-4468918886	304.359	QNILEHHHBKOBPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063278
CCOc1ccc(Cn2nc3CCC(C)c3c2CO)c(F)c1	EMOLS-id_330991027,MCULE-1143606244	304.359	XNYCOXVLXRCZAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063279
CCOc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1F	MCULE-3129404688,EMOLS-id_331007736	304.359	BMQRPQBYHYCHKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063280
CCOc1ccc(Cn2nc(CO)c3C(C)CCc23)c(F)c1	EMOLS-id_331008248,MCULE-3482236479	304.359	FYQNROTYZISXGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063281
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330989757,MCULE-1258999334	304.359	RXOWNVNOKDBHOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063282
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330991546,MCULE-5432193529	304.359	QJLCAGDCTLNVSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063283
COc1cccc(C(C)n2nc3CCC(C)c3c2CO)c1F	MCULE-8905183424,EMOLS-id_330990269	304.359	CYPQVJQQGWMGSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063284
COc1ccc(C(C)n2nc3CCC(C)c3c2CO)c(F)c1	EMOLS-id_330991290,MCULE-6956480854	304.359	ZDOFWOFSROSBGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063285
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330990782,MCULE-2649510041	304.359	IQCIDUXUXQHLKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063286
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1CO	MCULE-2997960567,EMOLS-id_330990526	304.359	LBHLBZMVAFSUQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063287
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330990013,MCULE-1628949829	304.359	ZWVNKFWMGYHVCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063288
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330992827,MCULE-1966251947	304.359	RYAXFUYIFNQJBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063289
CCC1CC(c2c1c(c(s2)C)C(=O)c1ccco1)C(=O)O	PC-id_70432304,SCHEMBL10742190	304.361	RAAOIGJLFOHNHC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-063290
CCOC(=O)C1CCc2c1sc(c2C(=O)c1ccco1)C	SCHEMBL10742184,PC-id_20213611	304.361	KCAQDDOQFOXLSN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-063291
COc1ccc(cc1)CSC1(Cc2c(C1)coc2)C(=O)O	SCHEMBL7824133,PC-id_15814407	304.361	MDLBRPUPNHNERO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063292
COc1cc(CC(NC2CC(n3c2ncn3)C)C)cc(c1)F	EMOLS-id_279086716	304.363	WRDIQUOTYGWCTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063293
C1(CCCC1)(C(=O)O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328194870,MCULE-3070107053	304.364	ZDXMQAFQDBLNQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063294
C1(C#N)(CC1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328185320,MCULE-3420504728	304.364	HFHWMIYMUPANCQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063295
C1(C(=O)Nc2sc3c(CCC3)c2C#N)C(C1(C)C)C(=O)O	MCULE-9663861095,PC-id_52996905,STOCK7S-21993,EMOLS-id_35790591	304.364	ZCSQDGAYQDGGTR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063296
c1(C(=O)N(C)C)c2CCCc2sc1NC(=O)c1ccco1	ZINC22_35926,CoCoCo_665547,MCULE-8273124627,EMOLS-id_8299093,PC-id_673754	304.364	OLWLCCDVNLAPFR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-063297
C1(C(=O)OCC)(C(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-6969048686,EMOLS-id_328185382	304.364	AJOBUSUYIAJWJX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063298
c1(NC(=O)c2cc(oc2C)C)sc2c(CCC2)c1C(=O)N	MCULE-7330362490,PC-id_16366477,CoCoCo_3218642,ZINC22_9516850,EMOLS-id_11815040	304.364	JTGOHXXSAWVMID-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-063299
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)n1	MCULE-7025106784,EMOLS-id_181474039,PC-id_84559858	304.364	VBVJSQJDICJPBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063300
c1(sc2c(CCC2)n1)NC(=O)c1c(cccc1OC)OC	PC-id_4216402,EMOLS-id_334660561,MCULE-5893255198	304.364	LRICEXNTPFEWPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063301
c1(sc2c(CCC2)n1)NC(=O)c1cccc(OC)c1OC	PC-id_7243953,EMOLS-id_5563230,MCULE-1886649063,CoCoCo_5135851,ZINC22_4479354	304.364	RAZSEYBKQRNGPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063302
c1(sc2c(CCC2)n1)NC(=O)C(C)Oc1ccc(cc1)O	MCULE-2107886128,EMOLS-id_334661585	304.364	YOIREUMEPGRCKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063303
c1(snc2CCCc12)NC(=O)c1ccc(c(OC)c1)OC	PC-id_54774458,MCULE-8287868657	304.364	VSYHVMHKMMDJLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063304
Cc1cc(c(o1)C)C(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3637660,MCULE-4657073518,PC-id_27684545,EMOLS-id_29955717	304.364	XMWGDJBVULGIFE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-063305
CC1(C)[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C(=O)O	PC-id_52902624,ZINC22_61721748	304.364	ZCSQDGAYQDGGTR-MNOVXSKESA-N	00100010100000000000000010000000000000000000000000000000	25-01-063306
CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_52902620,ZINC22_61721746	304.364	ZCSQDGAYQDGGTR-GHMZBOCLSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063307
CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_61721745,PC-id_52902618	304.364	ZCSQDGAYQDGGTR-WDEREUQCSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063308
CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_61721747,PC-id_52902622	304.364	ZCSQDGAYQDGGTR-QWRGUYRKSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063309
CCC1c2c(ccn2S(=O)(=O)c2ccc(cc2)C)C(=O)N1	PC-id_89793962,SCHEMBL17258091	304.364	SSFMZWGTFCRYSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063310
CC[C@H]1NC(=O)c2c1n(cc2)S(=O)(=O)c1ccc(cc1)C	SCHEMBL15244098	304.364	SSFMZWGTFCRYSU-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063311
CCOc1ccc(cc1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287498	304.364	OOCRKRBMLHNTSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063312
CCOc1ccccc1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287508	304.364	FFEZXYGLYJHGIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063313
CCOc1cccc(c1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288331	304.364	IRMRGYMYYQYNPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063314
CCOC(=O)c1c(NC(=O)c2ccc[nH]2)sc2CCCc12	EMOLS-id_328131600,MCULE-1583304100	304.364	COSONUUZLVUZIG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-063315
COc1ccccc1CNc1nc2c(s1)CCC2C(=O)O	PC-id_104287502	304.364	PDNFXRQWSDNGSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063316
COc1ccc(cc1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104287540	304.364	SOVLRVMVWJHQDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063317
COc1cccc(c1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288067	304.364	SRXUKUIOUWADFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063318
COc1ccc(cc1C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288124	304.364	LIXJEMDNMCBFKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063319
COc1ccc(c(c1)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288598	304.364	OTWJYHHSTKQDOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063320
COc1ccc(cc1Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104287555	304.364	BGLYWKMQIBFOQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063321
COc1cccc(c1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288152	304.364	XYCPYAMRNJNHDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063322
COc1ccccc1N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288216	304.364	CFLYTJURVXVNKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063323
COc1ccc(cc1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288279	304.364	UCNYCHGEHGGPKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063324
COc1cccc(c1[N+](=O)[O-])NCc1sc2c(c1)CCC2	PC-id_104261165	304.364	XZYCGZURJYGODY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063325
COc1ccc(cc1OC)C(=O)Nc1nc2CCCc2s1	CoCoCo_4164046,PC-id_4213204,MCULE-3097469183,EMOLS-id_8656756,ZINC22_6230824	304.364	RUTFZFPLGRXDHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063326
COc1ccccc1OCC(=O)Nc1nc2CCCc2s1	PC-id_25557975,ZINC22_12859157,EMOLS-id_24128592,CoCoCo_4164108,MCULE-2779781811	304.364	RGLVQPDVMIRPRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063327
COc1cc(C(=O)Nc2sc3c(CCC3)n2)cc(OC)c1	EMOLS-id_21277370,MCULE-5267655532,ZINC22_6380577,CoCoCo_4164059,PC-id_4334779	304.364	DHSHPXWXBCWRJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063328
COCc1cccc(c1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288360	304.364	AADXAGKZPBNCNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063329
COCc1ccccc1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288476	304.364	WZKGMIQZWSVDPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063330
CSc1ccc(n1C)C(=O)c1ccc2n1CC(C2)C(=O)O	SCHEMBL10803723,PC-id_20228250	304.364	URGHHARHGPTUEM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-063331
CSc1ccc([nH]1)C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_70410132,SCHEMBL10640121	304.364	WAXSFOSTSONFMQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-063332
N#Cc1c(NC(=O)C2CCC(C2)C(=O)O)sc2c1CCC2	PC-id_103549951	304.364	ZBRGKZUWWBHYBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063333
N#Cc1c(NC(=O)C2CCCC2C(=O)O)sc2c1CCC2	PC-id_103977957	304.364	VYBZVISMKPFDNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063334
N#Cc1c(NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_105633217	304.364	VYBZVISMKPFDNV-ZJUUUORDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063335
N#Cc1c(NC(=O)[C@@H]2CC[C@@H](C2)C(=O)O)sc2c1CCC2	PC-id_105633218	304.364	ZBRGKZUWWBHYBZ-BDAKNGLRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063336
N#Cc1c(NC(=O)COC(=O)C2CCC2)sc2c1CCC2	EMOLS-id_43722546,CoCoCo_2918574,ZINC22_6639236,PC-id_8019246,MCULE-1263928460	304.364	LMIKROMPNCZKOD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-063337
OCc1ccc(c(c1)OC)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_258031461,MCULE-8286777893	304.364	BMUPISOUFZUJCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063338
OC(=O)C1CCc2c1nc(s2)N(C1CC1)Cc1ccco1	PC-id_104288485	304.364	WDMOBPFGBQBINO-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-063339
OC(=O)C1CCc2c1nc(s2)NCCOc1ccccc1	PC-id_104288101	304.364	VNHSUEIASWAYBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063340
s1c2CCCc2cc1CNc1cc([N+](=O)[O-])cc(OC)c1	PC-id_80731990	304.364	NJKNXSFGKBEOQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063341
s1c2CCCc2cc1CNc1cc(OC)c([N+](=O)[O-])cc1	PC-id_63670616	304.364	KYRZOFITPVBJDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063342
s1c2CCCc2cc1CNc1c([N+](=O)[O-])ccc(OC)c1	PC-id_79034235	304.364	QFSAGUAWPROLCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063343
s1c2CCCc2cc1CNc1c([N+](=O)[O-])cc(OC)cc1	PC-id_61208207	304.364	XQIVNNHXJJHMBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063344
s1c2CCCc2cc1C(=O)NCC(=O)NCc1occc1	PC-id_9079894	304.364	MDAIYGVGGZKJHU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-063345
s1c2CCCc2cc1C(=O)NNC(=O)CCc1occc1	PC-id_24514583	304.364	NOQKBCJAUBXTCY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-063346
s1c2CCCc2c(c1NC(=O)COC(=O)C1C(C1)C)C#N	PC-id_78593856	304.364	UPJITOJXYFDGBG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063347
s1c2CCCc2c(c1NC(=O)COC(=O)C=CCC)C#N	PC-id_78750869	304.364	KNGYXGOFYSRZJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063348
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/CC)C#N	PC-id_8673266	304.364	KNGYXGOFYSRZJR-XVNBXDOJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063349
s1c2CCCc2c(c1NC(=O)COC(=O)C=C(C)C)C#N	PC-id_8759672	304.364	QXBCNKSQIDSFRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063350
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H]1[C@@H](C1)C)C#N	PC-id_8020068	304.364	UPJITOJXYFDGBG-PSASIEDQSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063351
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H]1[C@H](C1)C)C#N	PC-id_8020070	304.364	UPJITOJXYFDGBG-WCBMZHEXSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063352
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H]1[C@@H](C1)C)C#N	PC-id_8020072	304.364	UPJITOJXYFDGBG-SCZZXKLOSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063353
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H]1[C@H](C1)C)C#N	PC-id_8020074	304.364	UPJITOJXYFDGBG-WPRPVWTQSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063354
s1c2CCCc2nc1NC(=O)c1c(OC)ccc(OC)c1	PC-id_16848739	304.364	SPZMAMGAHZPFGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063355
s1c2CCCc2nc1NC(=O)c1c(OC)cc(OC)cc1	PC-id_4334775	304.364	FPIXQAGOAQPIHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063356
s1c2CCCc2nc1NC(=O)COc1ccc(OC)cc1	PC-id_26723139	304.364	AOHXIJCVOKQUNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063357
S1Cc2c(noc2NC(=O)c2ccc(OC(C)C)cc2)C1	PC-id_49719037	304.364	VERPGTUEXAMXJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063358
S1Cc2c(noc2NC(=O)Cc2ccc(OCC)cc2)C1	PC-id_49719076	304.364	ZJYFPYMZFXUQDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063359
S1Cc2c(noc2NC(=O)CCc2ccc(OC)cc2)C1	PC-id_49720099	304.364	VNZHOCIOFCWBHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063360
S1(=O)Cc2c(nn(c2OC(=O)c2ccccc2)C(C)C)C1	PC-id_59050170	304.364	UCPWOCGAZQQQJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063361
S(=O)(=O)(c1c2n(c(c1C)C)CC(=O)N2)c1ccc(cc1)C	PC-id_13809858	304.364	NMHVRZPCXINBFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063362
c12CN(Cc1sc(N)n2)CC(=O)Nc1cccc(OC)c1	PC-id_82194268,MCULE-3290457613	304.367	AYINJERXPRZFCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063363
c12SCCn1cc(CNC(=O)c1cc(CC)[nH]c(=O)c1)n2	MCULE-2182244223,PC-id_74243903,EMOLS-id_49667064,ZINC22_97674471	304.367	KFMCSPZVOFODBC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063364
c1(C(=O)NCc2cn3c(SCC3)n2)cc(=O)cc(C)n1C	EMOLS-id_177408609,MCULE-5902056727,ZINC22_426477149,PC-id_121500672	304.367	CDRXMADHTAYOPC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063365
c1(NC(=O)c2cccnc2OCC)n(C)nc2CSCc12	EMOLS-id_316247361,MCULE-1046015312,ZINC22_1506418269	304.367	PMDYRGQIBZQEIA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063366
c1(NC(=O)c2ccn(CC)n2)sc2c(CCC2)c1C(=O)N	MCULE-8331651369,PC-id_3472761,TIMTEC402885,EMOLS-id_3993397,CoCoCo_5806281,ZINC22_2726951	304.367	QJFIRSLQRHFOGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063367
c1(NC(=O)c2cn(nc2C)C)sc2c(CCC2)c1C(=O)N	CoCoCo_6579797,PC-id_4770844,EMOLS-id_3993415,ZINC22_2780389,MCULE-2904172871	304.367	AFPRXRDCBLJYQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063368
c1(NC(=O)c2cnn(CC)c2)sc2c(CCC2)c1C(=O)N	PC-id_4770629,ZINC22_6490301,CoCoCo_6579671,MCULE-7647013740,EMOLS-id_3993417	304.367	CNPWGNHCRJSZIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063369
c1(NC(=O)Cc2ccc(cc2)OCC)nnc2SCCn12	MCULE-3703774064,PC-id_16031429,CHEMBL1525834,CoCoCo_2590527,EMOLS-id_16349471,ZINC22_8600615	304.367	IFCRJUJELBSGAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063370
c1(NC(=O)CCc2ccc(cc2)OC)nnc2SCCn12	ZINC22_16953694,EMOLS-id_16349521,PC-id_22582993,CoCoCo_2590562,MCULE-7125586769	304.367	QYLMYJGDKZGUBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063371
Cc1nc(C)c(CC(=O)Nc2nc3c(s2)CCC3)c(=O)[nH]1	ZINC22_31282927,CoCoCo_4878562,PC-id_135891198,MCULE-3847728418,EMOLS-id_31933480,CoCoCo_4878563	304.367	ATTLUSKABYAJCO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063372
Cc1ncc(C(=O)NCCc2nc3CCCc3s2)c(O)n1	EMOLS-id_46034129,PC-id_72850116,MCULE-2144811736,ZINC22_91327059	304.367	SFAFYDNOHUVRIV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063373
Cc1nc(sc1C(=O)N1Cc2c(C1)cn[nH]2)C1CCOC1	MCULE-5642087582,EMOLS-id_316396798	304.367	BQMPHHWDCYFGMD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063374
CCc1nc[nH]c1C(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_278713458	304.367	MWPQGHQOFGQBCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063375
C[C@@H](NC(=O)c1cccs1)C(=O)N=c1cc2n([nH]1)CCC2	ZINC22_1875274651	304.367	PWTZNPYLGOTGIT-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063376
C[C@H](NC(=O)c1cccs1)C(=O)N=c1cc2n([nH]1)CCC2	ZINC22_1875274652	304.367	PWTZNPYLGOTGIT-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-063377
CC(Oc1ccc(cc1)C(=O)Nc1nnc2n1CCS2)C	ChEMBL-DNDi_CHEMBLF2079-0043,CoCoCo_2590483,PC-id_16031348,CHEMBL1435533	304.367	DYMKLYBHPPDSQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063378
CC(=O)c1ccc(C(=O)N(C)Cc2nnc3n2CCC3)s1	MCULE-4940327463,ZINC22_65411537,EMOLS-id_35706612,PC-id_53502225	304.367	GPAHYMARMMBTQX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063379
CCOC(=O)C1CCc2c1nc(s2)NCc1cccnn1	PC-id_106898088	304.367	QPBPIDVIQWMCJQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063380
CCOC(=O)C1CCc2c1nc(s2)NCc1ccncn1	PC-id_105788476	304.367	GHKDYIBYZKPHJP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063381
CCOC(=O)c1ccc(NC2Nc3cc(C)nn3S2)cc1	ChEMBL-DNDi_CHEMBL1325232,EMOLS-id_2583370,CK3088179,CHEMBL1325232,MCULE-1117288555,BindingDB-id_87243,SCHEMBL15033551	304.367	QLRGAWGWXHRWHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063382
CCOC(=O)c1ccc(N[C@@H]2Nc3cc(C)nn3S2)cc1	CoCoCo_6393034,ZINC22_13132472	304.367	QLRGAWGWXHRWHN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063383
CCOC(=O)c1ccc(N[C@H]2Nc3cc(C)nn3S2)cc1	CoCoCo_6393035,ZINC22_13132471	304.367	QLRGAWGWXHRWHN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063384
CCOC(=O)c1cc(ncc1N)Nc1sc2c(n1)CCC2	PC-id_105620724	304.367	GQQSRDSPVVJMGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063385
CCOC(=O)c1cc(N)cnc1Nc1sc2c(n1)CCC2	PC-id_108161484	304.367	WLGLOPDIWSYNOK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063386
Cn1nc(ccc1=O)C(=O)NCCc1nc2CCCc2s1	ZINC22_299797268,PC-id_118790465,EMOLS-id_68931037,MCULE-1005971919	304.367	MYEXCNMNNXTWEF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063387
CN(C)c1nc[nH]c(=O)c1NC(=O)c1cc2c(s1)CCC2	EMOLS-id_48273697,PC-id_136277319,ZINC22_95427989,MCULE-3987853888	304.367	VBGSTCKNCNWPEL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063388
COc1ccc(NC(=O)Cn2nc3CCCn3c2=S)cc1	MCULE-1206316401,EMOLS-id_6681486,ZINC22_1075668,ChEMBL-DNDi_CHEMBL1876605,CHEMBL1876605,PC-id_1263354	304.367	WDEOAAGPJAFWDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063389
COc1ccc(NC(=O)CSc2nc3n(n2)CCC3)cc1	PC-id_4534799,SPECS-id_AT-225/JK10668,ZINC22_390643	304.367	SVIWGOQBZWBBRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063390
COc1ccc(NC(=O)CSc2nnc3CCCn23)cc1	EMOLS-id_9817957,CoCoCo_6268219,PC-id_9179355,MCULE-5405110391,ZINC22_8048432	304.367	UMFWNWVWVQCQLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063391
N#Cc1c(NC(=O)C2CCC(=O)C(C2)C)nc2n1CCS2	EMOLS-id_98771329	304.367	ZFYCMZZPQDDFDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063392
N#Cc1c(NC(=O)C2CCC(=O)CC2C)nc2n1CCS2	EMOLS-id_98869780	304.367	KEAIBTQWKQRGFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063393
O=C(C1CC1)N1Cc2[nH]nc(COCc3nccs3)c2C1	EMOLS-id_44372022,PC-id_97520313,ZINC22_96260236	304.367	ALESIOZTPYLAJB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063394
O=C(c1cc2n(n1)CCO2)NC(c1ncc(s1)C)C1CC1	EMOLS-id_99573796	304.367	WJNMSRPZANZWQX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063395
O=C(c1ncoc1C1CC1)NCCc1cn2c(n1)SCC2	EMOLS-id_98445293	304.367	NDEXJGCEOXWCEV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-063396
O=C(c1nn2c(c1)OCC2)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183519	304.367	MVQOPCRAQOQSPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063397
OCc1nnn(c1)C1CN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_319106359	304.367	QOVJBCSPPZZCNZ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-063398
O=C(c1sc2c(c1)CCC2)Nc1nnc(o1)C1CCCN1	PC-id_102703449	304.367	LCVUJZAWWYTAOO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063399
O=C(C(NC(=O)c1cccs1)C)Nc1nn2c(c1)CCC2	PC-id_146105919,EMOLS-id_324064623,MCULE-1908141500	304.367	PWTZNPYLGOTGIT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063400
O=C(N1CC(C1)(O)c1cnnn1C)c1sc2c(c1)CCC2	EMOLS-id_319071824	304.367	KQKPWBKYLKRDHB-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-063401
O=C(N1CCC(C1)c1ccon1)Nc1sc2c(n1)CCC2	EMOLS-id_319921210,MCULE-4325751149	304.367	XWOGOAGFTDPBON-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063402
O=C(N1CCn2c1ncc2)c1sc(nc1C)C1COCC1	EMOLS-id_319051458	304.367	CSXISUIJAJMZGH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063403
O=C(N=c1cc2n([nH]1)CCC2)c1cnc([C@@H]2CCCO2)s1	ZINC22_2325766617	304.367	GNXWMQXAJONLIU-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-063404
O=C(N=c1cc2n([nH]1)CCC2)c1cnc([C@H]2CCCO2)s1	ZINC22_2325766618	304.367	GNXWMQXAJONLIU-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063405
O=C(Nc1[nH]ccn1)CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_316562020	304.367	SHGNBAYGTYVHAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063406
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)CCc1cccs1	SCHEMBL2915415,PC-id_68439603	304.367	GNSQRQSUTXKNTC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063407
O=S(=O)(/C=C/c1ccccc1)NCc1nnc2n1CCC2	PC-id_45821765,ZINC22_44935817	304.367	GTAFFINCZDFQFH-CSKARUKUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063408
O=S(=O)(C=Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_49651480,MCULE-1471895715	304.367	GTAFFINCZDFQFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063409
s1c2c(CCC2)c(c1NC(=O)c1nn(c(c1)C)C)C(=O)N	PC-id_16952143	304.367	JPPQSYKQWQRNBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063410
s1c2c(CCC2)c(c1NC(=O)c1n(ncc1)CC)C(=O)N	PC-id_49695156	304.367	NZRKSHWWDDDFHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063411
s1c2c(CCC2)c(c1NC(=O)CN1CCNC(=O)C1)C#N	PC-id_2657052	304.367	PLCHHLGKZZGNMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063412
s1c2CCCc2nc1Nc1c(nc(nc1)C(C)C)C(=O)O	PC-id_62086868	304.367	VKMGFQHAZAEWBL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063413
s1c2CCCc2nc1Nc1nccc(c1N)C(=O)OCC	PC-id_65698796	304.367	AMDYRZRGVUPVDC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063414
s1c2CCCc2nc1NC(=O)CC1C(=NC(=NC1=O)C)C	PC-id_85503759	304.367	HLMFGJDCMOEROU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-063415
s1c2CN(Cc2nc1N)CC(=O)Nc1ccc(OC)cc1	PC-id_82194262	304.367	KPPFGVPEIXYVMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063416
s1c2CN(Cc2nc1N)CC(=O)Nc1c(OC)cccc1	PC-id_82194266	304.367	ALLZGNFBMBVYCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063417
CSc1ccc(nc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319711012	304.371	UXXAHEPGWAQWMD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063418
O=C(Nc1scnc1C1CC1)NCc1nnc2n1CCC2	EMOLS-id_98256974	304.371	BXTXIFDDIICZTJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-063419
O=C(NCc1nc(C2CC2)n[nH]1)Nc1nc2c(s1)CCC2	ZINC22_571991855	304.371	LBTJYTHUIMXAFS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-063420
C=C/C=CC1=C(F)C(n2c1cnc2)CCC1(F)CCCCC1	SCHEMBL19386513	304.377	ZMDZITBMTFIKGA-CLTKARDFSA-N	00000011100010000001000010000000000000000000000000000000	25-01-063421
Fc1cc(C)c(c(c1)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318624750	304.382	PXNBVNWTIMLJJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063422
Nc1cc(C)c(c(c1)C(=O)NCc1sc2c(c1)CCC2)F	PC-id_103296211	304.382	RBUDKGCAHZSCCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063423
s1c2c(CCC2)cc1CNCc1cc(ccc1F)C(=O)N	PC-id_61208949	304.382	RZOMYDKJUBJUBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063424
s1c2c(CCC2)cc1CNCc1c(F)cc(cc1)C(=O)N	PC-id_61208948	304.382	SGWXMURWFNESEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063425
s1c2CCCc2cc1CNCC(=O)Nc1ccc(F)cc1	PC-id_61208176	304.382	TVYLSWXYDZVOEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063426
s1c2CCCc2cc1CNCC(=O)Nc1cc(F)ccc1	PC-id_61208178	304.382	ITEMPQJHTMUGIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063427
s1c2CCCc2cc1CNCC(=O)Nc1c(F)cccc1	PC-id_61208177	304.382	XMGULPIQQGBDBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063428
s1c2CCCc2cc1CNC(=O)c1cc(N)c(c(F)c1)C	PC-id_61209310	304.382	PYUZPYRTZJPDQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063429
CN(C)C(=O)C1(CNC(=O)c2occ3c2CCC3)CCCC1	ZINC22_585081819,MCULE-3914717881,EMOLS-id_177206803	304.384	HWIYKQHJZDRJFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063430
Fc1ccsc1S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318378997	304.384	QBJNDUAKZYPIID-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063431
CCCNS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114805410	304.386	BHAZXYYSXJUNPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063432
CC(CS(=O)(=O)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_113395798	304.386	USJWCYGRQTWQLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063433
CC(NS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2)C	PC-id_114805413	304.386	KFJOOTCIADDMKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063434
CCS(=O)(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_105788469	304.386	XUITZJGTRVLQNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063435
COCCNC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_95043461	304.386	ANSUGPFFJBJJOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063436
OC(=O)C1CCc2c1nc(s2)NCCCS(=O)(=O)C	PC-id_104288178	304.386	FLTCAUPJNDTEFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063437
OC(=O)C1CCc2c1nc(s2)N(CCS(=O)(=O)C)C	PC-id_113395814	304.386	JFTBSPKJBONVPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063438
S(=O)(=O)(Nc1sc2CCCc2n1)CCCC(=O)OC	PC-id_61509136	304.386	KQRFNBPDRDSVCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063439
C1CCN(CC1)C1COCC1NC(=O)c1n[nH]c2c1CCC2	PC-id_91841201	304.387	MZCZWLPGHNPJTP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063440
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)C2CCCC2)n1	MCULE-7065885830	304.387	GGEXSCOZMGYHFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063441
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)C2CCCC2)n1	MCULE-7747182238,EMOLS-id_316330288	304.387	GGEXSCOZMGYHFG-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063442
c1(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c2CCCc2[nH]n1	ZINC22_244724705,EMOLS-id_55691211,MCULE-2934167443	304.387	MZCZWLPGHNPJTP-KBPBESRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063443
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccccc1	MCULE-8520768895,ZINC22_81569465,PC-id_64593127,EMOLS-id_322626117	304.387	OFRMBAKUMQXJMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063444
CC1(C)CCC(NC(=O)c2cnn3c2CCC3)(C(=O)N)CC1	MCULE-6482482186,ZINC22_295120016,EMOLS-id_316873056	304.387	WPFGBKOHLKZHHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063445
CC1OC(CN(C1)C(=O)NC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_101421720	304.387	MHTXLXVRBONETC-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-063446
CC(C)C(=O)N1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	EMOLS-id_48998208,ZINC22_95348700,MCULE-8033695741,PC-id_84583552	304.387	ULVIWLNSMFXNOL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063447
CC(=CC(=O)Nc1n(C)nc2c1CCC2)CN1CCOCC1	MCULE-6583149922,EMOLS-id_258039069	304.387	LTXKOAXLJOEHOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063448
CC(C(N1CCCC1=O)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319552805	304.387	KMSTVBBNEGDMEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063449
CC(CN1CC(CC1=O)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319648865	304.387	MQVANULAPFOOEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063450
CC(C(N1CCCC1=O)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319252784	304.387	BBBPOPLAEWRODZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063451
CCCN1CCN(C(C1=O)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111742468	304.387	CNBSYKBWQGXWIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063452
CC(CN1CCN(C(C1=O)C)C(=O)c1nn2c(c1)CCC2)C	EMOLS-id_101346927	304.387	UPLMAUVMOJMJQQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063453
CC(CN1CCN(C(C1=O)C)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_111728667	304.387	HCBJORDPNFPASA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063454
CC(C(=O)N1CCCCC1C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110329564	304.387	ZLAJSDLUBXQKOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063455
CCC(=O)N1CCCC(C1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_110789527	304.387	UKLWMQFMUNXERB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063456
CCC(=O)N1CCCC(C1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319517600	304.387	KTQPMTHSRIIZIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063457
CCC(=O)N1CCCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319057247	304.387	NLPHTGLXTAINGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063458
CCC(=O)N1CCCCC1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319860531	304.387	FRWXBJZZTWKMFF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063459
CCC(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2CCc3c[nH]nc23)C1	ZINC22_2325864994	304.387	IJCBEYNPJCSUAS-AAEUAGOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063460
CCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CCc3c[nH]nc23)C1	ZINC22_2325864995	304.387	IJCBEYNPJCSUAS-DGCLKSJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063461
CCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CCc3c[nH]nc23)C1	ZINC22_2325864996	304.387	IJCBEYNPJCSUAS-WCQYABFASA-N	00000010100000000001000010000000000000000000000000000000	25-01-063462
CCC(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CCc3c[nH]nc23)C1	ZINC22_2325864997	304.387	IJCBEYNPJCSUAS-YPMHNXCESA-N	00000010100000000001000010000000000000000000000000000000	25-01-063463
CC(=O)NC(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_111468177	304.387	KKGAQIDRBWJJSJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063464
COc1csc(c1)C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318561845	304.387	HJISBJQHYQJGFA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-063465
NC(=O)CC(C1CCCCC1)NC(=O)c1cnn2c1CCC2	MCULE-8141298003,EMOLS-id_72442654,PC-id_121865287	304.387	XUOFBZXHFGOKIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063466
OC(C1CC1)CN1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_319471400	304.387	OIPDNOSSZIGPNE-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-063467
OC(C1CC1)CN1CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_319139659	304.387	CTOHHMHFXMZBBB-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-063468
O=C(C1CCCC(C1)NC(=O)c1n[nH]c2c1CCC2)N(C)C	EMOLS-id_110979989	304.387	YRWOLVSEQSZUFN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063469
O=C(C1CC(=O)N(C1)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101559734	304.387	ZRCCBOBMUKRHIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063470
O=C(C1CN(C1)C1CCOCC1)NC1CC(n2c1ncc2)C	EMOLS-id_316687481	304.387	BINDELBDGXQLEV-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-063471
O=C(C1CN(C1)C1CCOCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_278282446	304.387	PHFYMADQUSGJDX-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-063472
O=C(C1CN(C1)C1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319215540	304.387	DAZQUJKVJRMIKB-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-063473
O=C(C1CN(C1)C1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318776025	304.387	OCOGZDCEGCNQTK-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-063474
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)OC1CCCC1	EMOLS-id_319227060	304.387	BIYTXANGYUNHTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063475
O=C(c1n(C)nc2c1CCC2)N1CC(C1)(C)N1CCOCC1	EMOLS-id_319206916	304.387	MQUBFCBZJUBJRX-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-063476
O=C(c1n(C)nc2c1CCC2)N1CC(C1)NC1CCOCC1	EMOLS-id_319261782	304.387	QTWHGCSKYWSXAB-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-063477
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)C1CCCCC1	PC-id_145877453,EMOLS-id_316803304	304.387	ZIKHCKUSHVFYDB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063478
O=C(c1nn(c2c1CN(C2)CC1CCC1)C)N1CCOCC1	PC-id_97408305	304.387	PXVSONYMZZTVGY-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-063479
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)CC1COCC1	EMOLS-id_111677973	304.387	FXUIJXKSKINNTH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063480
O=C(CC1CCCC1)NCC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98810263	304.387	CXDJRDMLXBIELW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063481
O=C(C(C)(C)C)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110346745	304.387	JNJMRKGOSBFWCB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063482
O=C(C(C)C)NC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110256833	304.387	XJSPEWKDPQRDLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063483
O=C(C(C)C)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110353668	304.387	RSXVWNJLUCLYSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063484
O=C(N1C(c2[nH]nc(NC(=O)C3CC3)c2C1)(C)C)C(C)(C)C	PC-id_10402787	304.387	ZGFKKHGHPRUPHV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063485
O=C(N1CCCC1C1CCCO1)NC1CC(n2c1ncc2)C	EMOLS-id_101422821	304.387	XXBJSNBKDVWUBY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063486
O=C(N1CC=CCN1Cc1nn2c(c1)CCC2)OC(C)(C)C	EMOLS-id_279101578	304.387	IVVXDWFHAFBJKC-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-063487
O=C(NC1CCCC1)CCC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98048446	304.387	SOOKHDAKOQOQJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063488
O=C(NC1(C)CCOC1C1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101576955	304.387	APPBIUKUNZQGMQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-063489
s1c2CCCc2cc1C(=O)Nc1sc(cn1)C#CCO	PC-id_60802025	304.387	PXGDQGHEASTMDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063490
s1c2CCCc2nc1NC(=O)c1cc(sc1)C#CCO	PC-id_79696286	304.387	HBESHSBPSDXDOK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063491
s1c2CCCc2nc1NC(=O)c1sc(cc1)C#CCO	PC-id_61510224	304.387	WRTALIHOOHULFJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063492
s1c2CCCc2nc1NC(=O)c1sccc1C#CCO	PC-id_63797478	304.387	UBLLTZAKEYKGTM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063493
c1(NC(=O)CCNS(=O)(=O)C)n(C)nc2CSCc12	ZINC22_1529167328,EMOLS-id_316189921,MCULE-8936931314,PC-id_134707019	304.389	GSZIFVUJWQSNMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063494
c12SCCn1cc(CNC(=O)c1cc3c(ccs3)[nH]1)n2	EMOLS-id_32416144,MCULE-9984661876,PC-id_50973527,ZINC22_67819906	304.391	LZVFDICJUSMZRL-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-063495
c1csc(c2nnc(NCc3nc4c(s3)CCC4)o2)c1	MCULE-4554860390,ZINC22_97114551,PC-id_75505683,EMOLS-id_49315453	304.391	WRVKQMJLUKUOCZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-063496
c1(NC(=O)CSc2[nH]ccn2)sc2c(CCC2)c1C#N	MCULE-8889304745,EMOLS-id_181329318,PC-id_84412543	304.391	XIEQBCQLIWRBQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063497
CCc1nnsc1C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318411713	304.391	MKACCLXQPWVTKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063498
CN1C2CCC1CN(CC2)C(=O)NCc1nnc2n1CCC2	EMOLS-id_99808845	304.391	DIBVMRSXGHFCIV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063499
N#Cc1c(NC(=O)c2sccc2CC)nc2n1CCS2	EMOLS-id_318555293	304.391	IVXFBBHFMMMPGG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063500
N#Cc1c(NC(=O)C(c2cccs2)C)nc2n1CCS2	EMOLS-id_317926614	304.391	GTWXMKDFWDXOFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063501
N#Cc1c(NC(=O)C(c2cscc2)C)nc2n1CCS2	EMOLS-id_317961929	304.391	QYTQVHWUXQIHCB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063502
O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CCC2	ZINC22_25768107,EMOLS-id_43971854,CoCoCo_4164087,MCULE-5625383841,PC-id_33039773	304.391	GLDOWHWIDQDETM-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-063503
O=C(N1CCN(CC1)C1CCC1)NCc1nnc2n1CCC2	EMOLS-id_99102710	304.391	RBWQKOYXRBTCPQ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-063504
O=C(NC1CN(CC1C)C1CC1)NCc1nnc2n1CCC2	EMOLS-id_99836203	304.391	HQBPYKVOWZCVBK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-063505
s1c2CCCc2c(c1NC(=O)c1nc(sc1)CN)C#N	PC-id_66376323	304.391	XQRCJPUFAFWTND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063506
s1c2CCCc2c(c1NC(=O)c1sc(nc1C)N)C#N	PC-id_62792267	304.391	PXLMQIFITNQLHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063507
s1c2CCCc2c(c1NC(=O)Cc1nc(sc1)N)C#N	PC-id_62800343	304.391	KSGRHFVIBYBNGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063508
s1c2CCCc2nc1NC(=O)c1ncc(cc1)C(=S)N	PC-id_63748132	304.391	HQCIHHYQKJIGSO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063509
S1CCn2c1nc(NC(=O)CCc1sccc1)c2C#N	PC-id_60285126	304.391	COKGJFRWZIIKGU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063510
COCCOc1ccccc1C(c1sc2c(c1)CCC2)O	PC-id_115832502	304.404	NQPQRGBBXOHXCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063511
s1c2c(CCC2)cc1C(O)c1c(cc(OC)c(OC)c1)C	PC-id_61081513	304.404	CIYGOCQSWUDKTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063512
s1c2c(CCC2)cc1C(O)Cc1cc(OC)c(OC)cc1	PC-id_63017478	304.404	DSOPNJUYAJTEIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063513
c1(CC(N)c2ccc(c(OC)c2)OC)sc2c(CCC2)n1	MCULE-3514467237,PC-id_82066889	304.407	WLXXJACCZYCLDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063514
Cc1cc(ccc1C)C(S(=O)(=O)c1[nH]c2c(n1)CCC2)C	EMOLS-id_318653824	304.407	HJISJKFAHNTRMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063515
Cc1cc(ccc1C)CS(=O)(=O)Cc1cc2n(n1)CCC2	EMOLS-id_318286615	304.407	YHYICGHNZDVWIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063516
Cc1cc(C)c(c(c1)C)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318380498	304.407	GYARVUSXDLKUBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063517
CCC(c1c(C)noc1C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_98118651	304.407	XLAJBNZKBBABDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063518
CCOc1ccc(cc1CO)NCc1sc2c(n1)CCC2	PC-id_109948733	304.407	PLGMIDIRNBZBOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063519
COc1ccc(c(c1)C(c1sc2c(c1)CCC2)NN)OC	PC-id_105305081	304.407	FKJLCBSCVUVSMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063520
COc1cccc(c1C(c1sc2c(c1)CCC2)NN)OC	PC-id_105341238	304.407	FAGPLTJPJJIBHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063521
COc1ccc(cc1)C(CNCc1sc2c(n1)CCC2)O	PC-id_109948526	304.407	PBOBYIBQTAJCEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063522
COc1cccc(c1)C(CNCc1sc2c(n1)CCC2)O	PC-id_109948572	304.407	LOBVXSHQZODPDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063523
COc1ccc(cc1CO)NC(c1sc2c(n1)CCC2)C	PC-id_110017338	304.407	ZVEBXGFPJIXAGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063524
COc1ccc(c(c1)OC)C(c1sc2c(c1)CCC2)NN	PC-id_105304514	304.407	YHSHCQNXMYOPQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063525
COc1ccnc(c1OC)CNCc1sc2c(c1)CCC2	PC-id_103172311	304.407	YTPLXKUBHWAKOK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063526
COc1cc(OC)cc(c1)C(c1sc2c(c1)CCC2)NN	PC-id_105323889	304.407	KPEXXQHWAYNQHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063527
NNC(c1sc2c(c1)CCC2)c1ccc(c(c1)OC)OC	PC-id_105301118	304.407	JOZRTXABJDGZMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063528
O=C(C1(CC1)C(=O)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102164224	304.407	RZFPKKMVYFPYRC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063529
OCc1cnc(c(c1CNCc1sc2c(c1)CCC2)O)C	PC-id_104179402	304.407	OAPXESHHICJIQE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-063530
O=C(c1occ2c1CCC2)NCc1scc(n1)C(C)(C)C	EMOLS-id_318542727	304.407	AUIGQUDLEWJMBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063531
O=C(c1sc2c(c1)CCC2)NC(c1c(C)noc1C)(C)C	EMOLS-id_98838839	304.407	XCZNWESLDCNCGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063532
O=C(c1sc2c(c1)CCC2)NCc1ncc(o1)C(C)(C)C	EMOLS-id_318397890	304.407	WDXTZJMKNOKQLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063533
OCCOc1ccccc1CNCc1sc2c(n1)CCC2	PC-id_109948651	304.407	GNFGKSPYQJLUEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063534
OCCOc1ccc(cc1)NC(c1sc2c(n1)CCC2)C	PC-id_110017342	304.407	NMTDFVSKEHHMDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063535
O=C(N1CCC[C@@H]1C(=O)NC1CC1)c1sc2c(c1)CCC2	GD-id_ZINC45750922	304.407	UDXVEHKDOCVJSH-GFCCVEGCSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063536
O=C(NC1CCCC1)c1cc2c(s1)CCN2C(=O)C1CC1	PC-id_97524526,ZINC22_96264587,EMOLS-id_44379022	304.407	BJEVZQAAEJHUJU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063537
s1c2c(CCC2)cc1CNC(C(=O)NCc1occc1)C	PC-id_61207987	304.407	DHVOEQMKWNORNX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-063538
s1c2c(CCC2)c(c1N(CC(C)C(=O)O)CC(=C)C)C#N	PC-id_82310305	304.407	FWTFGZHDPRKYEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063539
s1c2CCCc2nc1CC(N)c1c(OC)ccc(OC)c1	PC-id_82066894	304.407	MGKHUFHJBFNMOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063540
s1c2CCCc2nc1C(NC)c1cc(OC)cc(OC)c1	PC-id_61332746	304.407	WOHVFAVLDPTSDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063541
s1c2CCCc2nc1C(NC)c1cc(OC)c(OC)cc1	PC-id_61332352	304.407	JBHMYAJRKDLQGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063542
s1c2CCCc2nc1C(NC)c1c(OC)ccc(OC)c1	PC-id_61332543	304.407	UYKVPSIBHWAQKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063543
s1c2CCCc2nc1C(NC)c1c(OC)cc(OC)cc1	PC-id_61332943	304.407	SHIIOHZBRPFWMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063544
s1c2CCCc2nc1C(NC)c1c(OC)c(OC)ccc1	PC-id_61330776	304.407	GDUVZNSHZLHONR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063545
c1(c2CCCc2[nH]n1)C(=O)N(C)C(C)c1c(C)sc(C)n1	PC-id_77089529,EMOLS-id_49885549,MCULE-2508446125	304.41	WFRBWCOBLISFHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063546
c1(csc(CCC)n1)C(=O)N(C)Cc1[nH]nc2CCCc12	ZINC22_67818944,MCULE-2582371908,PC-id_50963226,EMOLS-id_32396758	304.41	IJHZHIXTINMDRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063547
c1(NC(=O)C(C(C)C)n2cccc2)n(C)nc2CSCc12	PC-id_121239197,EMOLS-id_93421316,MCULE-4160794206	304.41	AQOXRNJUEXJAJL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-063548
c1(NC(=O)[C@@H](C(C)C)n2cccc2)n(C)nc2CSCc12	EMOLS-id_104678154,ZINC22_263586989,SPECS-id_AO-022/43512946,STOCK7S-55762,PC-id_121542319,MCULE-5625547488	304.41	AQOXRNJUEXJAJL-CYBMUJFWSA-N	00000010110000000001000010000000000000000000000000000000	25-01-063549
c1(NC(=O)[C@H](C(C)C)n2cccc2)n(C)nc2CSCc12	ZINC22_575443146,EMOLS-id_298137355,MCULE-7183163319	304.41	AQOXRNJUEXJAJL-ZDUSSCGKSA-N	00000010110000000001000010000000000000000000000000000000	25-01-063550
c1(sc2c(CCC2)n1)NC(=O)c1cc(n[nH]1)CCC(C)C	EMOLS-id_323247854,MCULE-1195346830	304.41	HVAUVJRMYFJWQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063551
Cc1ccc(s1)CN1Cc2c(C1)c(nn2C)C(=O)N(C)C	PC-id_97461989	304.41	WPWXZMNHSYBVID-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063552
Cc1ccsc1C(=O)N1Cc2c(CN(C)C)nn(C)c2C1	PC-id_97405275,EMOLS-id_46181905,ZINC22_96084449	304.41	BAJACRRLJVTQRW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063553
Cc1nccn1C[C@@H](C)CNC(=O)c1nc2c(s1)CCC2	ZINC22_561074333	304.41	DKRGIFLQBKAAPD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-063554
Cc1nccn1C[C@H](C)CNC(=O)c1nc2c(s1)CCC2	ZINC22_561074335	304.41	DKRGIFLQBKAAPD-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063555
Cc1nn(C)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2	PC-id_33040932,ZINC22_25769226,MCULE-6512000309,EMOLS-id_31865652,CoCoCo_4446956	304.41	FIVYBZKBYUZCPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063556
Cc1sc(nc1C)C(NC(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_318739966	304.41	KYWYOUZJSNJJRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063557
CCc1cc(nn1C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318535474	304.41	VDQXLBFWZCZCMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063558
CCc1n(C)ncc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318606739	304.41	QPQKPIWEVPKKTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063559
CC(c1nnc2n1CCC2)NC(=O)c1sccc1C(C)C	EMOLS-id_318417150	304.41	LGUBWDYZMJYNDZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063560
CC(Cc1ncc(s1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318796672	304.41	XHYVCMSFJZEIHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063561
CCCc1nc(c(s1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319554491	304.41	FTPQPDYBSPSQBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063562
CCCc1nc(c(s1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318843938	304.41	KMBLALRWRGJPJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063563
CC(Cc1ncc(s1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318962556	304.41	SJRSFPKEEYKUIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063564
CC(Cc1scc(n1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319055672	304.41	RRHROZOHPYISBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063565
CC(Cc1scc(n1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318953418	304.41	RUDQGAQVUPCSNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063566
C[C@H](Cn1cccn1)C(=O)NCCc1nc2c(s1)CCC2	ZINC22_299797949	304.41	OWNZFWILWJAHHE-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063567
C[C@@H](Cn1cccn1)C(=O)NCCc1nc2c(s1)CCC2	ZINC22_299797953	304.41	OWNZFWILWJAHHE-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-063568
CCn1ncc(c1C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318714648	304.41	DAAUNDFBASSMKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063569
CCn1nc(c(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_318692207	304.41	WJRXLNOTNSZFJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063570
CC(=O)N(C)Cc1nn(C)c2c1CN(Cc1ccsc1)C2	ZINC22_96259089,EMOLS-id_44369728,PC-id_97519179	304.41	GSABPSMKEAODPN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063571
Cn1ccnc1[C@H]1OCC[C@@H]1NCc1nc2c(s1)CCC2	EMOLS-id_316035095,MCULE-2340117449,ZINC22_583614703	304.41	IVUFTMQVVFLKFO-FZMZJTMJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063572
CN1CCN(CC(=O)Nc2c(C#N)c3c(CCC3)s2)CC1	ZINC22_19789426,PC-id_706805,MCULE-4589817420,BindingDB_PC-id_706805,CoCoCo_3562797,EMOLS-id_1308903,CoCoCo_3562796,CHEMBL1593395,BindingDB-id_92232	304.41	IQBDGZHBPLZUOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063573
Cn1nc2c(c1NC(=O)c1cnc(C(C)(C)C)s1)CCC2	EMOLS-id_316830874,MCULE-1752633623,ZINC22_65855675,PC-id_136579448	304.41	LLXJLNATPMOQDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063574
CN(Cc1ccsc1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319258107	304.41	UPRFANSZAZBEAD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063575
CN(Cc1nn(c2c1CN(C2)C(=O)Cc1cccs1)C)C	PC-id_97410137	304.41	JMUTXQWTQAVJSF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063576
CN(Cc1nn(c2c1CN(C2)C(=O)Cc1ccsc1)C)C	PC-id_97405276	304.41	BEQJARNSGHDZCJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063577
CS(=Nc1cccc(c1)NCc1cnc2n1CCC2)(=O)C	EMOLS-id_318663777	304.41	WPVRRPWDVFQYKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063578
N#Cc1c(NC(=O)CC2(C)CCCCC2)nc2n1CCS2	EMOLS-id_110284562	304.41	XOBXJQGVIKUMAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063579
O1CCC(CC1)c1cnc(s1)NCc1cnc2n1CCC2	MCULE-5775632927,EMOLS-id_318352727	304.41	YJSCNSPRASBZNE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063580
O=C(c1ccc(s1)C(C)(C)C)NCc1nnc2n1CCC2	EMOLS-id_318669243	304.41	JQEJIGUMCKCYTI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063581
O=C(c1ccc(s1)C(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318695293	304.41	ACGKQHPSJSULDC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063582
O=C(c1cnc2n1CCC2)Nc1scc(n1)CC(C)(C)C	EMOLS-id_318754629	304.41	GOXLJINYOVXVKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063583
O=C(c1cnn2c1CCC2)Nc1scc(n1)CC(C)(C)C	EMOLS-id_318666485	304.41	GXWRRKQXNGSYJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063584
O=C(c1cnn2c1CCC2)NC(c1sc(c(n1)C)C)(C)C	EMOLS-id_318515590	304.41	OODYVJDJIOUBRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063585
O=C(c1csc(n1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318922964	304.41	WCTWSQFLWASEQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063586
O=C(c1csc(n1)C(C)(C)C)NCc1n[nH]c2c1CCC2	MCULE-6564345551,EMOLS-id_319995452	304.41	WLSGAJXGMUVXLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063587
O=C(c1sc(nc1C)C(C)C)NCc1cnc2n1CCC2	MCULE-1813508213,EMOLS-id_320173659	304.41	SZDKDOIWLXLDOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063588
O=C(c1scnc1C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319081911	304.41	NAWANGMUGDLAOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063589
O=C(C(c1c(C)nn(c1C)C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318380024	304.41	MZWPCTWGZVGMBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063590
O=C(Nc1sc2c(n1)C(CC2)(C)C)CCn1ncc(c1)C	EMOLS-id_318380023	304.41	PJVKIZDLDCKTAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063591
O=C(N(C(c1cccs1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318633518	304.41	MNKWMHCBAPIALM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063592
s1c2CCCc2cc1CNC(=O)c1nc([nH]n1)C(C)(C)C	PC-id_80381430	304.41	ZLEZCCMMBGYSLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063593
s1c2CCCc2cc1CNC(=O)c1n(nc(c1N)CC)C	PC-id_66123189	304.41	GCGMBIDZHJTBDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063594
s1c2CCCc2cc1CNC(=O)c1n(nc(c1N)C)CC	PC-id_66124854	304.41	LLNDZMFPEJHBRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063595
s1c2CCCc2cc1CNC(=O)c1n[nH]c(C(C)C)c1N	PC-id_62075588	304.41	FQTUZPVPSJGKFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063596
s1c2CCCc2cc1CNC(=O)Cn1nc(c(N)c1C)C	PC-id_61208734	304.41	QPQCKNCXHSEIPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063597
s1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(c1CC)C	PC-id_60361034	304.41	ANRMZDYXBWFCJV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063598
c1(CN(C)C(=O)CCc2scnc2C)c2CCCc2[nH]n1	PC-id_70768411,EMOLS-id_44445787,ZINC22_82138334,MCULE-4499427603	304.411	BANAQWYSYNLCKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063599
c1(C(=O)NCCc2scc(C(C)C)n2)c2CCCc2[nH]n1	EMOLS-id_323259572,MCULE-1097373200	304.411	NSUQZFGILSKZQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063600
c1(C(=O)NCCCc2sc(c(C)n2)C)c2CCCc2[nH]n1	PC-id_77093306,ZINC22_216139482,EMOLS-id_49892039,MCULE-1898331966	304.411	AGBQXVRJXQDPTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063601
CC1CC(c2n1ncn2)NC1CCOC(C1)c1cccs1	EMOLS-id_318721063	304.411	CYYYYBJLQSTAFI-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-063602
CC1CC(c2n1ncn2)N[C@@H]1CCO[C@H](C1)c1cccs1	EMOLS-id_318739437	304.411	CYYYYBJLQSTAFI-POOIEITISA-N	00000010100110000001100010000000000000000000000000000000	25-01-063603
Cc1csc(c1)CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318764985	304.411	LTYFOEGLFKEBQX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063604
Cc1nc([C@@H](C)N(C)C(=O)c2n[nH]c3c2CCC3)c(C)s1	ZINC22_215841164,PC-id_99937911	304.411	WFRBWCOBLISFHP-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063605
Cc1nc([C@H](C)N(C)C(=O)c2n[nH]c3c2CCC3)c(C)s1	ZINC22_215841206,PC-id_99937912	304.411	WFRBWCOBLISFHP-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063606
Cc1nc(COCc2n[nH]c3c2CN(CC2CC2)C3)cs1	EMOLS-id_44372026,ZINC22_96260238,PC-id_97520315	304.411	DLLJKFXFGNODBK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063607
Cc1nc(c(s1)C(N(C(=O)c1n[nH]c2c1CCC2)C)C)C	EMOLS-id_317946053	304.411	ILQQDRZPIYEXOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063608
Cc1onc(n1)C1(CCCC1)NCc1sc2c(n1)CCC2	MCULE-1028878644,EMOLS-id_318204719	304.411	AODXLLJHCOTAAX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063609
CCc1nn(cc1C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_318518109	304.411	TWVRCCCSYUUQCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063610
CCc1nn(c(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_318764218	304.411	VTAVTNDYUVQNQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063611
CCCc1cc(C(=O)NCc2nnc3n2CCC3)sc1C	EMOLS-id_35688198,ZINC22_65417315,MCULE-6660648871,PC-id_53503247	304.411	GISDSQWAWYJOHK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063612
CCCc1nc(c(s1)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_317921240	304.411	RFCDOCKJYGVEJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063613
CC(Cc1ncc(s1)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_318616371	304.411	MNJFVMKKOZRHMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063614
CC(Cc1scc(n1)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_317970632	304.411	MMDBJHBXMSBMJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063615
CC(CC(C(=O)Nc1sc2c(n1)CCC2)n1ccnc1)C	EMOLS-id_320091932,MCULE-1070027961	304.411	QMXFWTSSJOCDAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063616
CC(Cn1cccn1)C(=O)NCCc1nc2CCCc2s1	MCULE-9693985200,EMOLS-id_68923458,PC-id_118786691	304.411	OWNZFWILWJAHHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063617
CC(Cn1ccnc1C)CNC(=O)c1sc2c(n1)CCC2	MCULE-4552489899,EMOLS-id_316913036	304.411	DKRGIFLQBKAAPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063618
CCn1ncc(c1)CC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318601364	304.411	CVPSQKXRRAINJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063619
CC(n1nc(c(c1C)C(=O)Nc1sc2c(n1)CCC2)C)C	EMOLS-id_318688172	304.411	XIVQUSFCSCWBBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063620
CCn1nc(cc1C)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_319722311	304.411	CBCZCTQVEXZUHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063621
Cn1cc([C@H]2CN(Cc3nc4c(s3)CCC4)CCO2)cn1	ZINC22_678836398	304.411	XOCXPNOZHPESTH-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063622
Cn1cc([C@@H]2CN(Cc3nc4c(s3)CCC4)CCO2)cn1	ZINC22_678836399	304.411	XOCXPNOZHPESTH-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063623
Cn1ccnc1[C@@H]1OCC[C@H]1NCc1sc2c(n1)CCC2	EMOLS-id_320333688,MCULE-5861212801	304.411	IVUFTMQVVFLKFO-BXUZGUMPSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063624
Cn1nccc1C1OCCC(C1)Nc1sc2c(n1)CCC2	EMOLS-id_318483331	304.411	WUSFNKGQEHMNOG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063625
Cn1nccc1[C@H]1OCC[C@@H]1NCc1sc2c(n1)CCC2	EMOLS-id_318234397,MCULE-4284413278	304.411	PVYMQXYNVHZSQM-NHYWBVRUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063626
COc1ncc(c(n1)C)CNC(c1sc2c(n1)CCC2)C	EMOLS-id_316931188,MCULE-9641964408	304.411	WAKAOPKKXJPBBN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063627
COc1ncc(CN[C@@H](C)c2nc3c(s2)CCC3)c(C)n1	ZINC22_571500381	304.411	WAKAOPKKXJPBBN-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-063628
COc1ncc(CN[C@H](C)c2nc3c(s2)CCC3)c(C)n1	ZINC22_571500382	304.411	WAKAOPKKXJPBBN-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063629
CS(=Nc1ccc(cc1)NCc1cnc2n1CCC2)(=O)C	EMOLS-id_318641718	304.411	RPITUEXSAPOLAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063630
O=C(c1cc2n(n1)CCC2)NC(c1sc(c(n1)C)C)(C)C	EMOLS-id_318520892	304.411	VSTOTTOHNMNHII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063631
O=C(c1ccnn1C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318398632	304.411	AHUUTAVAZZAFGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063632
O=C(c1ccn(n1)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318563274	304.411	MILPKSCLDMYXRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063633
O=C(c1cnc2n1CCC2)NCc1scc(n1)C(C)(C)C	EMOLS-id_318475449	304.411	FCANXWFQKGDQNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063634
O=C(c1cnn2c1CCC2)NCc1scc(n1)C(C)(C)C	EMOLS-id_318621435	304.411	NLNOONYEBZPIFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063635
O=C(c1cnn(c1)C(C)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318765048	304.411	QPASATHHXBUNMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063636
O=C(c1cnn(c1)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318725146	304.411	NVUCDVFNTRVRNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063637
O=C(c1nccn1C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318548018	304.411	AIXCLPYKDADZLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063638
O=C(c1ncn(c1)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318551946	304.411	SYVMJBOMVSUUAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063639
O=C(c1nn2c(c1)CCC2)Nc1scc(n1)CC(C)(C)C	EMOLS-id_318600446	304.411	JDKIUYBGZBKDSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063640
O=C(c1nn2c(c1)CCC2)NCc1scc(n1)C(C)(C)C	EMOLS-id_318587240	304.411	BVCVUOIGNNORAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063641
O=C(c1sc2c(c1)CCC2)NCc1ncnn1C(C)(C)C	EMOLS-id_318559273	304.411	MAQHEDRJTXXSHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063642
O=C(Cc1cc(nn1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318529456	304.411	LHEWTFIHWGLPHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063643
O=C(C(c1cnn(c1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318497558	304.411	ATCAVISGIPSBOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063644
O=C(Cc1cnn(c1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318615783	304.411	HTTBONMVIUJUPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063645
O=C(C(n1ncc(c1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318448040	304.411	XRNHBSQMQIPNBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063646
O=C(N(Cc1ccc(s1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318825238	304.411	ASVLSCJPKGMZHH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063647
O=C(NN=C1CC([NH2+]C(C1)(C)C)(C)C)c1n[nH]c2c1CCC2	PC-id_7322688	304.411	ISHMLBFZXDRYDP-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-063648
s1c2CCCc2cc1CNC(=O)c1n[nH]c(CCC)c1N	PC-id_62076464	304.411	VNBYSGWNZYWKBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063649
s1c2c(CCC2)c(c1NC(=O)CN1CCCNCC1)C#N	PC-id_62839446	304.411	BPDWOMHQFJYHBQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063650
s1c2c(CCC2)c(c1NC(=O)CN1CCC(N)CC1)C#N	PC-id_79323416	304.411	RYDYVNBOPFLXTK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-063651
C1CCC(CC1)c1nsc(n1)NCc1nnc2n1CCC2	EMOLS-id_102031265,MCULE-2036948466	304.414	HABQWGUCVKKEFY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063652
Cc1nc(N(C)C)nc(NCc2cn3c(n2)SCC3)c1C	PC-id_50976617,MCULE-8703009764,ZINC22_65468839,EMOLS-id_32422010	304.414	VKZDROWASSIQML-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063653
CC(c1nnc2n1CCC2)Nc1snc(n1)C1CCCC1	EMOLS-id_102031301,MCULE-4530265221	304.414	XGAKGDPMRVXSEK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-063654
CCNC(=NCc1cscc1)NCc1nnc2n1CCC2	PC-id_111020115	304.414	QNMJITXNEYGVEG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063655
CCNC(=NCc1nnc2n1CCC2)NCc1cccs1	PC-id_111020175	304.414	WGNYAJKEFYXOAB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063656
CN=C(NCc1nnc2n1CCC2)NCc1ccc(s1)C	PC-id_111020649	304.414	HTRVQKFQWWFLSH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063657
CN=C(NCc1nnc2n1CCC2)NCCc1cccs1	PC-id_111020435	304.414	XEWLLHLCUIPNQZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063658
CN=C(NCc1sccc1C)NCc1nnc2n1CCC2	PC-id_111020431	304.414	KRWQTXOIXHDGFM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063659
CCCNC(c1cc(C)ccc1F)c1sc2c(n1)CCC2	PC-id_108218980	304.425	MDVWHKYJPOBDQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063660
CCCNC(c1cc(F)ccc1C)c1sc2c(n1)CCC2	PC-id_108386613	304.425	JCKKSKRCNDLGHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063661
CC(NC(c1cc(C)ccc1F)c1sc2c(n1)CCC2)C	PC-id_108218986	304.425	FFNGOPMWWBCHFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063662
CC(NC(c1cc(F)ccc1C)c1sc2c(n1)CCC2)C	PC-id_108386630	304.425	AVSKTYIEPNSAIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063663
CCNC(c1sc2c(n1)CCC2)(Cc1cccc(c1)F)C	PC-id_114832583	304.425	PVWTZFFRAGAJEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063664
CCNC(c1sc2c(n1)CCC2)(Cc1ccccc1F)C	PC-id_114832584	304.425	XEALPOFVFIAEQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063665
CCNC(c1sc2c(n1)CCC2)(Cc1ccc(cc1)F)C	PC-id_114832585	304.425	NDDIDAGFUKISQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063666
s1c2CCCc2nc1C(NCCC)c1cc(c(F)cc1)C	PC-id_62122093	304.425	PFGUVKIYSONQBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063667
s1c2CCCc2nc1C(NC(C)C)c1cc(c(F)cc1)C	PC-id_62122430	304.425	DTSDRSAUIMHHPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063668
s1c2CCCc2nc1C(NCCC)c1c(cc(F)cc1)C	PC-id_62133969	304.425	SLNKBOWZHRYLBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063669
s1c2CCCc2nc1C(NC(C)C)c1c(cc(F)cc1)C	PC-id_62134313	304.425	YIFIASSKVAOPQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063670
s1c2CCCc2nc1C(NC(C)C)c1cc(F)c(cc1)C	PC-id_63647260	304.425	SOLDAEHDOJCIDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063671
s1c2CCCc2nc1C(NCCC)c1cc(F)c(cc1)C	PC-id_63649618	304.425	JTVAOFZYYUPQKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063672
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1CCCCC1	MCULE-9314093587,EMOLS-id_330977983	304.427	CCFYRXBYUHOHGS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063673
c1(C(=O)OC(C)(C)C)c2CCCc2n(CC2CCCCC2)n1	MCULE-9406752547,EMOLS-id_324386899	304.427	XCQDKTDJXXVHCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063674
c1(C(=O)OC(C)(C)C)c2CCCc2nn1CC1CCCCC1	MCULE-4118283216,EMOLS-id_324386909	304.427	RGKYRSLUGQQSTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063675
CCOC(CS(=O)(=O)N1Cc2c(C1)nc(s2)C)(C)C	MCULE-8615961374,EMOLS-id_319880862	304.429	GGCJNQSYPQMYRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063676
c1(CN(C)C(=O)C2CCN(CC2)C(C)C)[nH]nc2CCCc12	MCULE-4810921283,ZINC22_67921563,EMOLS-id_32427996,PC-id_50979810	304.43	IPFJWFHTHPOATO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063677
c1(C(=O)NC2CC(NC(C)(C)C2)(C)C)c2CCCc2n(C)n1	PC-id_84467429,MCULE-4894434749,EMOLS-id_320481293	304.43	AAKRLIPVKQMZRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063678
c1(C(=O)N(CC)CCN2CCCCCC2)c2CCCc2[nH]n1	MCULE-4928036701,EMOLS-id_32229724,ZINC22_55392822,PC-id_50980788	304.43	LCQADUVYLPECGN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063679
c1(NC(=O)CSc2ccc(cc2)C)sc2c(CCC2)n1	PC-id_7254526,ZINC22_4496460,CoCoCo_5138584,MCULE-5899423002,EMOLS-id_5565844	304.43	QLWNDCZUFPRISQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063680
CC1CC(c2n1ccn2)NC1CCCCC1N1CCOCC1	MCULE-7872471703,EMOLS-id_318292301	304.43	IVFGUTWXZLBGLE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-063681
CC1CC(c2n1ccn2)NC1CCN(CC1)CC1CCCO1	EMOLS-id_318101322,MCULE-9631674070	304.43	XXLCLBIBEQMOSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063682
Cc1ccccc1SCC(=O)Nc1nc2c(s1)CCC2	PC-id_33039007,EMOLS-id_30688768,ZINC22_25767327,MCULE-2481081298	304.43	PSLRKGYCWZHCGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063683
CC1CCCN(C1)C(CNC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_101193631	304.43	GXWKKKIEXPNSNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063684
CC1CCCN(C1)C(CNC(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_101193643	304.43	IHBFOOWKEHMWPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063685
CC1CCCN(C1)C(CNC(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_98461494	304.43	OBFGCDAWHKKRCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063686
CC1CC(C(=O)N2Cc3c(CN(C)C)nn(C(C)C)c3C2)C1	ZINC22_1565555326,EMOLS-id_313734103	304.43	XAJJTYSAFCFSRR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-063687
C(=C
/CCSCC1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328169619,MCULE-8836965288	304.43	CAAQPFVYZHSSBL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-063688
CC1CN(CC(C1)C)CC(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_101197986	304.43	LFLPBDWRGHQWHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063689
CC1CN(CC(C1)C)CC(NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_101197980	304.43	HLLNHVCXJNOPHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063690
CC1CN(CC(C1)C)CC(NC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98451596	304.43	MTSAKKYKBNQBSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063691
Cc1csc(N(C(=O)c2cc3c(s2)CCC3)C2CC2)n1	PC-id_71929659,ZINC22_89705706,MCULE-6206754262,EMOLS-id_45653240	304.43	KNRZGIOBIGLVAE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063692
CCC1CCC(CC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101385994	304.43	MKTWYNRIBLPYNM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063693
CCC1(CCCCC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420406	304.43	BKXAGPZIKTVBBT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063694
CCC1CCCCC1CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101433033	304.43	WGKMOVFQWAXNJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063695
CCC1CCC(CC1)N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101580984	304.43	GAHYERJLVPMROE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063696
CCC1(CC)CCCN(CC1)C(=O)NC1CCn2c1ncc2	MCULE-2525686943,EMOLS-id_316534119	304.43	PXDRKUTULKCENN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063697
CCC1(CC)CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420454	304.43	AGTCTYIBYKQAJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063698
CC(C1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579250	304.43	SSAAHSNHNCOUQE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063699
CC(C1C(CN1C(=O)NC1CC(n2c1ncc2)C)C(C)C)C	EMOLS-id_101572851	304.43	XFNWYQULYCRURY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-063700
CCCC1CCC(CC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101529138	304.43	XRUWIKMMBFBABF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063701
CCCC1C(C)CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579154	304.43	JJTLIQLRMYBWMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063702
CC(CC1(C)CCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101572872	304.43	JTPHRAKLQDRGNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063703
CC(CC1CCCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101577111	304.43	UZAOPQKSDJIHFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063704
CCC(C1CCCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579196	304.43	MJJYYIHIJHLDSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063705
CCCC1(C)CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579133	304.43	JVXFWQPFAFSCJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063706
CC(CC1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101418690	304.43	QOTJWQGDVXVITB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063707
CC(C)(C)C1CCC(C(=O)NCc2nnc3n2CCC3)CC1	MCULE-1493427065,ZINC22_54536513,EMOLS-id_35688528,PC-id_53503796	304.43	LGTKZMUEIVKDLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063708
CC(CCC1CCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101418756	304.43	ATKRVSQQXWCWGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063709
CCCC(C1CCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101418759	304.43	WVFVPYYLCBYTHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063710
CC(C)CN1CCC(C(=O)Nc2c3c(nn2C)CCC3)CC1	PC-id_75405782,MCULE-8888550217,EMOLS-id_45643323,ZINC22_65855810	304.43	WDGGHSFZKCFGAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063711
CC(CN1CCCC(C1)CNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_101201895	304.43	UNXNHUWTRQWDNU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063712
CC(CN1CCC(CC1)C(=O)NCc1cnc2n1CCC2)C	MCULE-4999076258,EMOLS-id_319880700	304.43	PKOFUELFCMHQEL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063713
CCCNC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110002	304.43	JJVSQUXPCDHPDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063714
CC(CN(C(=O)NC1CC(n2c1ncc2)C)C1CCCC1)C	EMOLS-id_101581017	304.43	QUPUZKYFEGOLNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063715
C[C@@H](NC(=O)NC1CC(n2c1ncc2)C)CC1CCCCC1	EMOLS-id_101382214	304.43	KPZYAXOOQSBYOM-DNOWBOINSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063716
CC(NC1CC(n2c1ncc2)C)CC(=O)N1CCCCCC1	EMOLS-id_101227534	304.43	QTNYUDLTCFODPT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063717
CN(C1CCCCC1)CCN(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98251976	304.43	MRYIDYWKHXRTJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063718
CN(C1(CCCCCC1)CNC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_101208081	304.43	RPESOPAALYECLC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063719
CN(CC(C1CCCCN1C(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_316551076	304.43	SAOQYLMJELLYBT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063720
CSCc1ccc(cc1)C(=O)Nc1nc2CCCc2s1	CoCoCo_4164249,PC-id_24251256,ZINC22_24968718,MCULE-6330559702,EMOLS-id_17223520	304.43	DUYWTEKYCIAHBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063721
O1CCN(CC1)CC1CCN(CC1)Cc1[nH]nc2c1CCC2	CoCoCo_1522770,CoCoCo_1522771,CoCoCo_1522768,PC-id_28642170,CoCoCo_1522769	304.43	SKIVYQWIUHIXOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063722
O=C1CC(CN1C(C)(C)C)CNC(c1nn2c(c1)CCC2)C	MCULE-9686110461,EMOLS-id_318305307	304.43	FPHYYWBWDTVEEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063723
O=C(c1cc2c(s1)CCC2)NCc1nc2c(s1)CCC2	EMOLS-id_318486169	304.43	IVVLGVFXCGRDHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063724
O=C(C1CCCC(C1)NC(c1nn2c(c1)CCC2)C)N(C)C	EMOLS-id_318135696,MCULE-8226073236	304.43	WLHXKXWLJWUETG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063725
O=C(C1NCc2c1c[nH]n2)NCC1CCC(CC1)C(C)(C)C	EMOLS-id_318983153	304.43	RYQNUFITHYVIQF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063726
O=C(c1n[nH]c2c1CCC2)NC(CN1CCCCCC1)(C)C	ASN-20289309	304.43	ISYWDKUZXGXAFA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063727
O=C(c1sc2c(c1)CCC2)NC(c1nccs1)C1CC1	PC-id_71999179,MCULE-4710157231,EMOLS-id_49049627	304.43	JMUVFELGOKSYBA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063728
O=C(C(C)(C)C)N1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318390792,MCULE-4783100005	304.43	PBSPVIQMUSPKPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063729
O=C(N1CCC(C1)CC(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101423088	304.43	ZSCHSGBOFANVQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063730
O=C(N1CCC(CC1)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101415741	304.43	LSMSXTSYZXFTFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063731
O=C(N1CCC(CC1)(C)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101420442	304.43	XVNCERQNJNHZAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063732
O=C(N1CCCC(C1)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101421747	304.43	FOBNFKIYPOEHLA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063733
O=C(N1CC(C)(C)CC(C1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101576916	304.43	CMKVZYBDLQLBLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063734
O=C(N(C1CCC(CC1)(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101577123	304.43	GLVLSALNKAIEPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063735
O=C(NC1CC(n2c1ncc2)C)NC1CCC(CC1)C(C)C	EMOLS-id_101382751	304.43	NNUBBSNBASTTSX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063736
O=C(NC1CC(n2c1ncc2)C)NC1CCC(CC1C)(C)C	EMOLS-id_101383495	304.43	PWKVWEZHLMNZDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063737
O=C(NC1CC(n2c1ncc2)C)NC1CCCC(C1)C(C)C	EMOLS-id_101417001	304.43	LYLUHFMQCJQCJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063738
O=C(NC1CC(n2c1ncc2)C)NCC1CCC(CC1)(C)C	EMOLS-id_101382898	304.43	GUVRNXGMDWUNQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063739
O=C(NC1CC(n2c1ncc2)C)NCC1CCCC(C1)(C)C	EMOLS-id_101423052	304.43	LSOCVQILOGKYJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063740
O=C(NC1CC(n2c1ncc2)C)NCC1(C)CCCCCC1	EMOLS-id_101370004	304.43	UXPAPSYZEVOSDY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-063741
O=C(NC1CC(n2c1ncc2)C)NCC(C1CCCC1)(C)C	EMOLS-id_101369836	304.43	BKDPRVONDKULSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063742
O=C(N(C(C1CCCCC1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101421765	304.43	BPMLPIJULHXVQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063743
O=C(NCc1n2CCCc2nn1)C1CCC(CC1)CCCC	PC-id_52371665	304.43	FPCRUBYJTXIATM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063744
O=C(N(CCC1CCCCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101414191	304.43	OTTZBEGWSNJPFX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063745
O=C(N[C@@H](c1nccs1)C1CC1)c1cc2c(s1)CCC2	PC-id_97573314,ZINC22_96425542	304.43	JMUVFELGOKSYBA-CYBMUJFWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063746
O=C(N[C@H](c1nccs1)C1CC1)c1cc2c(s1)CCC2	ZINC22_96425543,PC-id_97573315	304.43	JMUVFELGOKSYBA-ZDUSSCGKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-063747
s1c2CCCc2cc1C(=O)NN=C(c1sc(cc1)C)C	PC-id_84939481	304.43	RJARGUBFDIFMDQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-063748
s1c2CCCc2cc1C(=O)N/N=C(c1sc(cc1)C)/C	PC-id_9149570	304.43	RJARGUBFDIFMDQ-YBEGLDIGSA-N	00000010100100000000000010000000000000000000000000000000	25-01-063749
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C)C#N	PC-id_3601175	304.43	AKRPAQKETSFDFC-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-063750
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C#N	PC-id_78288895	304.43	OFKGMSAAGSQUSN-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-063751
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCCC1)C)C#N	PC-id_78290240	304.43	IAMMBXXZEGDFAN-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-063752
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C#N	PC-id_1594559	304.43	ANYXNLFLZUGPAX-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-063753
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C#N	PC-id_2682046	304.43	OFKGMSAAGSQUSN-NSHDSACASA-O	00000010100010000000000010000000000000000000000000000000	25-01-063754
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C#N	PC-id_2682048	304.43	OFKGMSAAGSQUSN-LLVKDONJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-063755
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCCC1)C)C#N	PC-id_2698037	304.43	IAMMBXXZEGDFAN-NSHDSACASA-O	00000010100010000000000010000000000000000000000000000000	25-01-063756
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCCC1)C)C#N	PC-id_2698039	304.43	IAMMBXXZEGDFAN-LLVKDONJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-063757
s1c2CCCc2nc1NC(=O)C(Sc1ccccc1)C	PC-id_51233099	304.43	OSFVUADZOOBFPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063758
s1c2CCCc2nc1NC(=O)CSCc1ccccc1	PC-id_956924	304.43	AZESQLCGTSMECL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063759
SC(C(=O)Nc1sc2c(n1)CCC2)Cc1ccccc1	PC-id_107025680	304.43	ZUESOORSIWEQTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063760
CNCCCN(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053340	304.432	GUEXXNRLAYSCKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063761
C=CCCCCCN(C(=NC)NCc1nnc2n1CCC2)C	PC-id_109483741	304.434	WZGJJPHLPFLFID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063762
CCNC(=NCc1nnc2n1CCC2)N1CC(C1(C)C)(C)C	PC-id_109452419	304.434	WNLPDSNMJRELPS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-063763
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)(C)CC	PC-id_120064137	304.434	NGCXGRWZORZWBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063764
CCNC(=NCc1nnc2n1CCC2)N1CC(C)CC(C1)C	PC-id_111153965	304.434	LCIDAXBXISIDDB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063765
CCNC(=NCc1nnc2n1CCC2)NC1CCC(CC1)C	PC-id_111255911	304.434	FTROANVSKSERLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063766
CCNC(=NCc1nnc2n1CCC2)NCC1(CC)CCC1	PC-id_109469103	304.434	UYCJXNNQTKOHBK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-063767
CN=C(N1CCC(C1)CC(C)C)NCc1nnc2n1CCC2	PC-id_111734095	304.434	FMRUMTGYAQUSTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063768
CN=C(N1CCC(C1)(CC)CC)NCc1nnc2n1CCC2	PC-id_120059725	304.434	YOHLAXYGCKUOJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063769
CN=C(NCC1(CC)CCCC1)NCc1nnc2n1CCC2	PC-id_112393992	304.434	CNFHENOQHNDVOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063770
CN=C(NCc1nnc2n1CCC2)NCCCC1CCCC1	PC-id_111020147	304.434	WGZFLTYFHFASCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063771
NNC(c1sc2c(c1)CCC2)Cc1nc2n(c1)ccs2	PC-id_105328728	304.434	YNXTYJMCLCCFPN-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-063772
s1c2CCCc2nc1Nc1c(c(nc(c1)C)C)C(=S)N	PC-id_81054685	304.434	SVJDTWAMEMJBLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063773
s1c2CCCc2nc1Nc1nc(cc(c1C(=S)N)C)C	PC-id_61511683	304.434	HTHQJPREDWZNMR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063774
CC1(C)Cc2cc(C(=O)NC3([C@@H]4CCNC4)CC3)sc2C1	ZINC22_1875404455	304.45	JMUXNYUCNZHVQL-GFCCVEGCSA-N	00100010100000000000100010000000000000000000000000000000	25-01-063775
CC1(C)Cc2cc(C(=O)NC3([C@H]4CCNC4)CC3)sc2C1	ZINC22_1875404456	304.45	JMUXNYUCNZHVQL-LBPRGKRZSA-N	00100010100000000000100010000000000000000000000000000000	25-01-063776
CCCCC(CC)CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328023285,MCULE-5456686031	304.45	BSIYNTUYZQBLLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063777
CCCCCCCCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328039595,MCULE-9592871167	304.45	HOIBLRIXEKOEBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063778
CCC(n1ccc(n1)CC(c1sc2c(c1)CCC2)O)CC	PC-id_115807832	304.45	LUGWKYNXMDZGMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063779
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)C1CCCN1	PC-id_63259071,EMOLS-id_302707405,MCULE-4584428761	304.45	HCNDEVVSHVUPCJ-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-063780
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)NCC1CC1	EMOLS-id_301773963,PC-id_81485757,MCULE-2289256232	304.45	IBSXSZSCLCJOEN-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-063781
O=C(c1sc2c(c1)CCC2)N(CC1CCCN1)CC1CC1	PC-id_106608684	304.45	WDUNVOCAEQJXJL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-063782
O=C(N(C1CC1)CC1CCCCN1)c1sc2c(c1)CCC2	PC-id_106627038	304.45	DMTWOKQHGPTWPN-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-063783
O=C(N(C1CC1)CC1CCCNC1)c1sc2c(c1)CCC2	PC-id_106628776	304.45	KDBYVBSGWZXUOX-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-063784
s1c(C(=O)N2C(C3NCCC3)CCCC2)cc2c1CCC2	PC-id_63256761	304.45	XXVLAPDMCWNLQS-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-063785
s1c(C(=O)N2CC(C3NCCC3)CCC2)cc2c1CCC2	PC-id_60978540	304.45	YFWKMHXRBUWCEN-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-063786
s1c(C(=O)N(C2CC2)CC2CCNCC2)cc2c1CCC2	PC-id_79701624	304.45	BXCWQZNTTLUMOW-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-063787
CC1CC(c2n1ccn2)NCCc1scc(n1)C(C)(C)C	MCULE-8774472569,EMOLS-id_318363957	304.454	JRKUFEJNQGIEMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063788
Cc1cc(C)n(C[C@@H](C)NCCc2nc3c(s2)CCC3)n1	ZINC22_1506405129	304.454	IMPAOPJVZQEWAP-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063789
Cc1cc(C)n(C[C@H](C)NCCc2nc3c(s2)CCC3)n1	ZINC22_1506405147	304.454	IMPAOPJVZQEWAP-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063790
CCc1cc(n(n1)CC)CC(c1sc2c(c1)CCC2)NN	PC-id_105318341	304.454	SZZADTJCBAIYAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063791
CC(c1nn2c(c1)CCC2)NCc1scc(n1)C(C)(C)C	EMOLS-id_318191720,MCULE-6103712545	304.454	FSFUOXRGDRWUPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063792
CCc1nn(cc1C(c1sc2c(n1)CCC2)NC(C)C)C	PC-id_115990391	304.454	BEBOYGTXXLPUHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063793
CC(c1scc(n1)C(C)(C)C)NCc1cnc2n1CCC2	MCULE-1773345472,EMOLS-id_318594272	304.454	MPLDRXTYLCMUIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063794
CCCn1ncc(c1)C(c1sc2c(n1)CCC2)NC(C)C	PC-id_103572511	304.454	JUKHOJNGYYAQPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063795
CC(Cn1nc(C)cc1C)NCCc1nc2CCCc2s1	MCULE-5142357905,EMOLS-id_316248619	304.454	IMPAOPJVZQEWAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063796
CCCNC(c1cn(nc1CC)C)c1sc2c(n1)CCC2	PC-id_115990387	304.454	ZAJDGUTTYGHKGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063797
CCCNC(c1cnnn1CCC)c1sc2c(c1)CCC2	PC-id_105038609	304.454	WROBJFQQHKOZBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063798
CCCNC(c1sc2c(c1)CCC2)Cc1ncnn1CC	PC-id_105001949	304.454	KUUOWVHBHVEGED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063799
CCCNC(c1sc2c(n1)CCC2)c1cnn(c1)CCC	PC-id_103572505	304.454	FZLVECWRQADYRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063800
CCCNC(c1sc2c(n1)CCC2)c1cnn(c1)C(C)C	PC-id_108386614	304.454	QXNGLVYSHFRIRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063801
CCNC(c1sc2c(c1)CCC2)Cc1ncnn1C(C)C	PC-id_104999808	304.454	HGYCHHWTKYKZGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063802
CCNC(c1sc2c(c1)CCC2)Cc1ncnn1CCC	PC-id_105003288	304.454	IRSPVEUIFKCYAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063803
CC(NC(c1sc2c(n1)CCC2)c1cnn(c1)C(C)C)C	PC-id_108386631	304.454	YXIZXBBFJUNXJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063804
Cn1cc(c(n1)C(C)(C)C)CNCc1sc2c(n1)CCC2	MCULE-2898169776,EMOLS-id_318752733	304.454	NWBNZDFARQCSBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063805
CN(Cc1nn(c2c1CN(C2)Cc1cscc1)C(C)C)C	PC-id_97405357	304.454	UIXWDBOQPIUSRB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063806
CNC(c1sc2c(c1)CCC2)Cc1ncnn1CC(C)C	PC-id_104999868	304.454	VDYJKPROQHNOSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063807
NNC(c1sc2c(c1)CCC2)Cc1ccn(n1)C(CC)C	PC-id_105312563	304.454	IMQMZMVLSXKGCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063808
s1c2CCCc2nc1C(NC)c1c(nn(c1)C)C(C)(C)C	PC-id_83091069	304.454	DDRZWEMIVYBYIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063809
s1c2CCCc2nc1C(NC(C)C)c1c(n(nc1C)C)C	PC-id_61333274	304.454	OSPDZMKZJLRJIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063810
s1c2CCCc2nc1C(NCCC)c1c(n(nc1C)C)C	PC-id_61334396	304.454	SRTJETXATZLAKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063811
s1c2CCCc2nc1C(NCCC)c1n(CCC)cnc1	PC-id_66129632	304.454	VGINXEDNRLKVGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063812
s1c2CCCc2nc1C(NC(C)C)c1n(CCC)cnc1	PC-id_66130034	304.454	DCQGIGYPIPRKKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063813
s1c2CCCc2nc1C(NCCC)c1n(C(C)C)cnc1	PC-id_66162233	304.454	GMLNIZUZKQJRGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063814
s1c2CCCc2nc1C(NC(C)C)c1n(C(C)C)cnc1	PC-id_66162630	304.454	PDAJWGCOBPYVBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-063815
s1c(C(C)(C)C)ccc1CNC(c1n2CCCc2nn1)C	PC-id_81495413	304.454	SZIADZWLEBOUHH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-063816
CC1CC(C)CN(C1)C(CNC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318362931,MCULE-5134549220	304.473	HWRCWDXSXFLGBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-063817
s1c2CCCc2nc1C(NCC)c1ccc(SC)cc1	PC-id_61332213	304.473	NXXUSBCFIPCXCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063818
s1c(nc2c1CCC2)C(NC1CC1)c1c(sc(c1)C)C	PC-id_61556683	304.473	MWIOGLNPOPGFBE-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-063819
s1c(nc2c1CCC2)C(NC1CC1)c1sc(cc1)CC	PC-id_62345939	304.473	SGLVSGKJKBKGCC-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-063820
SNc1cc(Cc2sc3c(c2C)CCC3)c(cc1N)C	PC-id_142083659	304.473	KNENEDQOIPMUSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063821
s1c(CNC2C(C3NCCC3)CCCC2)cc2c1CCC2	PC-id_79536691	304.493	QEBLHMQACBYPNH-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-063822
s1c(CNC2C(C3NCCCC3)CCC2)cc2c1CCC2	PC-id_79536014	304.493	LQAUEPBTTJDIMX-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-063823
s1c(CNC2CCN(CC2)CC=C(C)C)cc2CCCc12	PC-id_61207223	304.493	PVMYLMVHJBVQHE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-063824
C=CCC1(CCCC(CCCC)CC)Cc2c(C1)csc2	SCHEMBL20653955,PC-id_137419853	304.533	OYXAQUQMDAPSAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063825
CCCCCC(C/C(=c
/c(=C)sc2c1CCC2)/C)CCC	SCHEMBL19523683	304.533	KOBRTBXHIOFUQC-HKWRFOASSA-N	00000010100000000000000010000000000000000000000000000000	25-01-063826
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1Cl	SCHEMBL2920179,PC-id_68441207	304.732	XCDDQBXKTLWGQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063827
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68440556,SCHEMBL2918222	304.732	KQMCIRXZGCQZHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063828
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68440925,SCHEMBL2919392	304.732	DOYZGVGEZUKAJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063829
ClCC(=O)N1Cc2c([nH]nc2NC(=O)c2ccccc2)C1	PC-id_71477722	304.732	VZQWFOYQVNMCFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063830
Clc1cc(N/N=C/2c3n(N=C2C)c(nn3)C)c(OC)cc1	PC-id_20643275	304.735	TUMYTRONVWBDQO-ATVHPVEESA-N	00000011100000110001000010000000000000000000000000000000	25-01-063831
Clc1cc(NN=C2c3n(N=C2C)c(nn3)C)c(OC)cc1	PC-id_53659763	304.735	TUMYTRONVWBDQO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-063832
Clc1cc(N/N=C/c3n(N=C2C)c(nn3)C)c(OC)cc1	PC-id_59952137	304.735	TUMYTRONVWBDQO-SFQUDFHCSA-N	00000011100000110001000010000000000000000000000000000000	25-01-063833
Clc1nnc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_61040486	304.755	WLTXXSYQBQIVRL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063834
N#Cc1c(NC(=O)c2cncc(n2)Cl)sc2c1CCC2	PC-id_108073594	304.755	CJYQEYDPXFFSRS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063835
N#Cc1c(NC(=O)c2ncc(nc2)Cl)sc2c1CCC2	PC-id_107371833	304.755	IPDQEKVEJBCWGJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-063836
c1(C#N)c2CCCc2sc1N=Cc1c(cccc1Cl)F	MCULE-2184966964,PC-id_691556	304.77	SOHUQDJXDAROFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063837
c1(C#N)c2CCCc2sc1/N=C/c1c(cccc1Cl)F	PC-id_9599626,TIMTEC454140,MCULE-6471552441,CoCoCo_1930312,ZINC22_62607,EMOLS-id_26814951	304.77	SOHUQDJXDAROFB-UFWORHAWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063838
N#Cc1c(/N=Cc2c(F)cccc2Cl)sc2c1CCC2	CoCoCo_1930313	304.77	SOHUQDJXDAROFB-UWVJOHFNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063839
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2C)Cl)n1	EMOLS-id_330986227,MCULE-8944052458	304.771	USTNRJJOFYRKPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063840
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2Cl)C)n1	MCULE-2897216919,EMOLS-id_330989041	304.771	ZGMMXNFEKLGZCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063841
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)ccc2Cl)n1	EMOLS-id_330985714,MCULE-6148330040	304.771	SMGSWTFATAYGTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063842
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(C)c2)Cl)n1	EMOLS-id_330986483,MCULE-8360052332	304.771	SDVNPWDXWVRVBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063843
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(C)c2Cl)n1	EMOLS-id_330989553,MCULE-9097050705	304.771	WBLVSDDWBPVKLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063844
c1(C(=O)O)c2C(C)CCc2n(Cc2c(C)cccc2Cl)n1	MCULE-3894306258,EMOLS-id_330989297	304.771	LQRKIKPROXFAPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063845
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)cc(Cl)c2)n1	EMOLS-id_330988018,MCULE-9404068484	304.771	IFOKUDDHPZUQBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063846
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(Cl)c2C)n1	MCULE-4122696606,EMOLS-id_330987762	304.771	POLWHLISNNVRCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063847
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)C)n1	MCULE-4295959422,EMOLS-id_330987506	304.771	SEJJWAUUGDWMCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063848
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(Cl)ccc2C)n1	EMOLS-id_330988274,MCULE-9652837370	304.771	QKIYCZLRFUATHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063849
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1C)Cl	EMOLS-id_330965183,MCULE-1940461795	304.771	YKGRVEVTUVKBQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063850
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1Cl)C	MCULE-8311374785,EMOLS-id_330967997	304.771	NPDACHDRRHOCPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063851
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(C)c1)Cl	EMOLS-id_330965439,MCULE-8317263465	304.771	WCGZJGZLWXKPHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063852
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(C)c1Cl	MCULE-5549174982,EMOLS-id_330968509	304.771	KNJCTGJZVOUBIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063853
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)ccc1Cl	MCULE-9501872938,EMOLS-id_330968765	304.771	GWEQZYGCZXYSRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063854
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)cc(Cl)c1	EMOLS-id_330966974,MCULE-9741882477	304.771	QOOFSKSZYOEICT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063855
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)C	MCULE-6820080592,EMOLS-id_330966462	304.771	IUGFZJQLDSKNIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063856
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(Cl)c1C	MCULE-6949087487,EMOLS-id_330966718	304.771	BLRYERLBBKHCGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063857
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(Cl)ccc1C	MCULE-8950969174,EMOLS-id_330967230	304.771	GZODVQXEKIUUSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063858
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2Cl)n1	EMOLS-id_330989816,MCULE-2805252237	304.771	NZJWACFQXNBAPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063859
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)Cl)n1	MCULE-6807716670,EMOLS-id_330991097	304.771	URQHJXCRKLMNLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063860
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1Cl	EMOLS-id_330975667,MCULE-7263725477	304.771	XOUSDXCYOJFOJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063861
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)Cl	EMOLS-id_330976948,MCULE-2040546793	304.771	FVZZSWKSKZIAHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063862
CC1CCc2nn(Cc3c(C)cccc3Cl)c(C(=O)O)c12	EMOLS-id_330968253,MCULE-5595941646	304.771	OICHSDBZWZEADJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063863
Clc1ccc(CNC2CCc3[nH]c(cc23)C(=O)OC)cc1	SCHEMBL1004650,PC-id_59180083	304.771	DVDAVQAGEBTKCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063864
COc1ccc(Cn2nc3CCC(C)c3c2C=O)cc1Cl	EMOLS-id_330983101,MCULE-2210613574	304.771	RDERXVHXAUAMHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063865
COc1ccc(Cn2nc3CCC(C)c3c2C=O)c(Cl)c1	EMOLS-id_330983357,MCULE-4739847008	304.771	MERHIHOEUNCLRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063866
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)cc1Cl	MCULE-4671415398,EMOLS-id_331003378	304.771	FXCVRRPMHPDHFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063867
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)c(Cl)c1	EMOLS-id_331003634,MCULE-2263506078	304.771	XWFBWRAIMZQKLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063868
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1C=O	EMOLS-id_330986673,MCULE-8735036322	304.771	XXCQUDBQGOUXMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063869
COc1cc(Cl)ccc1Cn1nc(C=O)c2C(C)CCc12	MCULE-8615146537,EMOLS-id_331002870	304.771	XIIMTHKKMPRYRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063870
COc1cc(Cn2nc3CCC(C)c3c2C=O)ccc1Cl	EMOLS-id_330986417,MCULE-8068080856	304.771	FCJFQARASVYPEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063871
COc1cc(Cn2nc(C=O)c3C(C)CCc23)ccc1Cl	EMOLS-id_331002614,MCULE-2858675526	304.771	KEFSCVWVJSSXDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063872
Cc1ccc(c(c1)Cl)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318562019	304.775	WDXYTNBKPGNPAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063873
Cc1c(cc(cc1)Cl)NC(=O)C(C)N1CCn2c1ncc2	PC-id_136563298,MCULE-6027565784,EMOLS-id_316982175	304.775	DGSAGZFQJDELQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063874
Cc1ccc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)Cl	EMOLS-id_318614228	304.775	YJHWEMNCWIZJSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063875
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCn2ccnc12	ZINC22_931525407	304.775	DGSAGZFQJDELQM-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063876
Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCn2ccnc12	ZINC22_931525410	304.775	DGSAGZFQJDELQM-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-063877
Cc1cc(Cl)cc(c1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318519592	304.775	GFZDSMLSDDTCFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063878
CC(c1nnc2n1CCC2)NC(=O)c1cccc(c1C)Cl	EMOLS-id_318577202	304.775	LBCZHOWWRBTIOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063879
CC(c1nnc2n1CCC2)NC(=O)c1cccc(c1Cl)C	EMOLS-id_318697056	304.775	WHZUJPBUWSWPDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063880
CC(Cc1ccccc1Cl)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319596132	304.775	IDHVVQQIHIFVKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063881
CC(C(=O)NCc1ccc(cc1)Cl)N1CCn2c1ncc2	MCULE-5984219298,EMOLS-id_316981919,PC-id_136563297	304.775	YRDWBEZTYWQCCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063882
C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCn2ccnc12	ZINC22_931527681	304.775	YRDWBEZTYWQCCY-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063883
C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCn2ccnc12	ZINC22_931527683	304.775	YRDWBEZTYWQCCY-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-063884
C[C@@H](NC(=O)CN1CCn2ccnc12)c1ccccc1Cl	ZINC22_931529886	304.775	XAEGTDFNWGWOLJ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063885
C[C@H](NC(=O)CN1CCn2ccnc12)c1ccccc1Cl	ZINC22_931529887	304.775	XAEGTDFNWGWOLJ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-063886
CCNc1ccc(cc1C(=O)N1Cc2c(C1)cnn2C)Cl	EMOLS-id_318349679	304.775	VUSMISYEPSNZKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063887
CCN(C(=O)C1NCc2c1c[nH]n2)Cc1cccc(c1)Cl	EMOLS-id_319213617	304.775	BMTZALILPLOPFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063888
CCN(C(=O)C1NCc2c1c[nH]n2)Cc1ccc(cc1)Cl	EMOLS-id_319652125	304.775	OESQVTKTFYTJCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063889
Clc1ccc(c(c1)C)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318722259	304.775	QKHDXIZGIKJGDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063890
Clc1ccc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)C	EMOLS-id_318799873	304.775	FUEBGYNTOQHODV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063891
Clc1ccc(c(c1)NC(=O)c1cnc2n1CCC2)N(C)C	EMOLS-id_318743578	304.775	HRPOWHJMWMVEBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063892
Clc1ccc(c(c1)NC(=O)c1cnn2c1CCC2)N(C)C	EMOLS-id_318442472	304.775	SGFWWAAOSRVJPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063893
Clc1ccc(c(c1)NC(=O)c1nn2c(c1)CCC2)N(C)C	EMOLS-id_318408936	304.775	PHMFAIWSHHADHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063894
Clc1cc(CCC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52179126	304.775	QEHNJCAZZJPUDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063895
ClCc1ccc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_43696330	304.775	JMPTZEXCLWQJHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063896
ClCc1ccc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_60949971	304.775	LAQYNQKBYJPMKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063897
ClCc1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1	PC-id_43696332	304.775	BEAPJOTYQIOHBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063898
ClCc1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_60949972	304.775	SEBJMQQQKISPIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063899
ClC(C(=O)NC(c1n2CCCc2nn1)C)c1ccccc1	PC-id_43696333	304.775	TVRBHIYKABOTEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063900
ClC(C(=O)N(Cc1n2CCCc2nn1)C)c1ccccc1	PC-id_60949721	304.775	HYJXBIFSJDSVSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063901
Cn1nc2c(c1NC(=O)CNc1ccccc1Cl)CCC2	PC-id_53540273,EMOLS-id_35744131,MCULE-2740617338,ZINC22_63658626	304.775	QGVIRFJVHRXYAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063902
CNc1ccc(c(c1)Cl)C(=O)NCc1cc2n(n1)CCC2	EMOLS-id_319379917	304.775	AHLSPBPPUJQFKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063903
CNc1ccc(c(c1)Cl)C(=O)NCc1cnc2n1CCC2	MCULE-4083825256,EMOLS-id_319895449	304.775	CLACFSTXPKHTHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063904
CNc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)Cl	EMOLS-id_319532691	304.775	IBJZQMUSYFJJFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063905
NC(=O)C(c1ccc(cc1)Cl)NCc1cnc2n1CCC2	PC-id_146104684,MCULE-5638900461,EMOLS-id_324033385	304.775	LITSYXUATONGIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063906
NC(=O)C(c1ccc(cc1)Cl)NCc1cnn2c1CCC2	EMOLS-id_319548545,MCULE-6305472065,PC-id_146104681	304.775	YJUIMYJJOAMMDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063907
NC(=O)C(c1ccc(cc1)Cl)NCc1nn2c(c1)CCC2	EMOLS-id_320370567,MCULE-3820200003,PC-id_139017351	304.775	JXHROWSTFMKKJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063908
NC(=O)[C@@H](NCc1cc2n(n1)CCC2)c1ccc(Cl)cc1	ZINC22_1413175655	304.775	JXHROWSTFMKKJS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063909
NC(=O)[C@H](NCc1cc2n(n1)CCC2)c1ccc(Cl)cc1	ZINC22_1413175663	304.775	JXHROWSTFMKKJS-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063910
NC(=O)[C@@H](NCc1cnc2n1CCC2)c1ccc(Cl)cc1	ZINC22_1364639085	304.775	LITSYXUATONGIG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063911
NC(=O)[C@H](NCc1cnc2n1CCC2)c1ccc(Cl)cc1	ZINC22_1364639089	304.775	LITSYXUATONGIG-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063912
NC(=O)[C@@H](NCc1cnn2c1CCC2)c1ccc(Cl)cc1	ZINC22_1364643579	304.775	YJUIMYJJOAMMDX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063913
NC(=O)[C@H](NCc1cnn2c1CCC2)c1ccc(Cl)cc1	ZINC22_1364643584	304.775	YJUIMYJJOAMMDX-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063914
O=C(c1cc2n(n1)CCC2)Nc1ccc(c(c1)N(C)C)Cl	EMOLS-id_318704082	304.775	RXWCWXXPOHIWIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063915
O=C(c1ccc(c(c1)C)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318616047	304.775	VAXNCSBSHFIBRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063916
O=C(c1ccc(c(c1Cl)C)C)NCc1nnc2n1CCC2	EMOLS-id_318645783	304.775	VKBSTIGUTXHFJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063917
O=C(c1ccc(c(c1)Cl)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318641178	304.775	ANUNAYFSDDSSNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063918
O=C(c1cc(C)c(cc1C)Cl)NCc1nnc2n1CCC2	EMOLS-id_318581409	304.775	IWYFCKSNQRLSGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063919
O=C(c1cc(C)c(cc1Cl)C)NCc1nnc2n1CCC2	EMOLS-id_318715753	304.775	GINPBZMPBLQCBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063920
O=C(c1cnc2n1CCC2)Nc1cccc(c1N(C)C)Cl	EMOLS-id_318492028	304.775	CBDLOWLJYKWGMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063921
O=C(c1cnc2n1CCC2)Nc1ccc(c(c1)N(C)C)Cl	EMOLS-id_318539074	304.775	NPWAWMSOKKCBDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063922
O=C(c1cnn2c1CCC2)Nc1cccc(c1N(C)C)Cl	EMOLS-id_318561589	304.775	NQSYLSDUSIBZFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063923
O=C(c1cnn2c1CCC2)Nc1ccc(c(c1)N(C)C)Cl	EMOLS-id_318580250	304.775	DPNGLHUCSYDCHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063924
O=C(c1n(C)nc2c1CCC2)NCc1ccc(c(c1)N)Cl	EMOLS-id_320284786,MCULE-6550639739	304.775	AEGWGRIEQUOZPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063925
O=C(c1nn2c(c1)CCC2)Nc1cccc(c1N(C)C)Cl	EMOLS-id_318477296	304.775	LFWYDBIVURVYFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063926
O=C(Cc1ccc(cc1Cl)C)NCc1nnc2n1CCC2	EMOLS-id_318524216	304.775	VQVGVLBSKOCUAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063927
O=C(Cc1ccccc1Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318661264	304.775	SWJQMJNWOCFJNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063928
O=C(C(N1CCn2c1ncc2)C)Nc1ccc(cc1C)Cl	EMOLS-id_318709223	304.775	SMISITVQKAUTMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063929
O=C(C(N1CCn2c1ncc2)C)Nc1ccc(cc1Cl)C	EMOLS-id_318446430	304.775	MIYLNSJSIPSYMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063930
O=C(C(N1CCn2c1ncc2)C)Nc1c(C)cccc1Cl	EMOLS-id_318494398	304.775	XAJVSTPVYSBYOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063931
O=C(CN1CCn2c1ncc2)Nc1c(C)cc(cc1Cl)C	EMOLS-id_318641410	304.775	LJCJCLAJANAXII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063932
O=C(CN1CCn2c1ncc2)NC(c1ccccc1Cl)C	MCULE-7716954348,EMOLS-id_316983967	304.775	XAEGTDFNWGWOLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063933
O=C(NCc1cnc2n1CCC2)CNc1cccc(c1)Cl	EMOLS-id_319519020	304.775	VHCHEEGYOVKXBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063934
O=C(NCc1cnc2n1CCC2)CNc1ccccc1Cl	EMOLS-id_319810954	304.775	NHHNECHRHYTIOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063935
O=C(NCc1n[nH]c2c1CCC2)CNc1cccc(c1)Cl	EMOLS-id_318821214	304.775	DTCGBPDXKNZTFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063936
O=C(NCc1n[nH]c2c1CCC2)CNc1ccccc1Cl	EMOLS-id_319650353	304.775	ATONHLHJJHUKSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063937
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-3165741574,PC-id_4250280	304.795	YJWWCRSQBOJQMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063938
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)n1	PC-id_4399518,MCULE-7739908741	304.795	CTJHPMXLJMGQAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063939
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)n1	MCULE-6500740387	304.795	QJMQCZCCVJAHTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063940
Clc1ccccc1/C=C/C(=O)Nc1nc2CCCc2s1	PC-id_6090302,EMOLS-id_334661076	304.795	CTJHPMXLJMGQAH-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063941
Clc1cccc(/C=C/C(=O)Nc2nc3CCCc3s2)c1	EMOLS-id_334662355	304.795	QJMQCZCCVJAHTD-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063942
Clc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_181474867,PC-id_6048429	304.795	YJWWCRSQBOJQMK-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063943
Clc1ccc(/C=CC(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_334659796	304.795	YJWWCRSQBOJQMK-TWGQIWQCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063944
Clc1ccc(C=NNC(=O)c2sc3CCCc3c2)cc1	PC-id_85015459	304.795	GWFLAXKJTJKJDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063945
Clc1cc(C=NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_85015509	304.795	SNZPXPNADICQIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063946
Clc1c(C=NNC(=O)c2sc3CCCc3c2)cccc1	PC-id_85015454	304.795	ZQQRFODVIFMJRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063947
Clc1sc2CCC(Nc3ccc(OCC#N)cc3)c2c1	PC-id_81252775	304.795	OFBOUMVAAIPMFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063948
Clc1sc2CCC(Nc3cc(OCC#N)ccc3)c2c1	PC-id_81252173	304.795	UMQUPPJBCWNKSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063949
COc1cccc(c1NC1CCc2c1cc(s2)Cl)C#N	PC-id_107466812	304.795	ZVDOFWQEZCFEMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063950
COc1cc(C#N)ccc1NC1CCc2c1cc(s2)Cl	PC-id_104848191	304.795	AFCBRKFYOHBICY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-063951
N#Cc1ccc(cc1Cl)NCCc1cn2c(n1)SCC2	EMOLS-id_318658075,MCULE-4456688492	304.798	QGXVIHUFESBVBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063952
N#Cc1ccc(c(c1)Cl)NCCc1cn2c(n1)SCC2	EMOLS-id_318688509,MCULE-8028696093	304.798	DNDQACWTVYFEIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063953
N#Cc1ccc(cc1NCCc1cn2c(n1)SCC2)Cl	MCULE-7590640082,EMOLS-id_318405081	304.798	TVAAQBUKWSXMLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063954
N#Cc1cccc(c1NCCc1nc2n(c1)CCS2)Cl	EMOLS-id_318493644,MCULE-6434107477	304.798	JWYUFYXQPTUNTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063955
N#Cc1cc(Cl)ccc1NCCc1cn2c(n1)SCC2	MCULE-2153163885,EMOLS-id_318458083	304.798	OEAYEZKMEXPWQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063956
N#Cc1cc(Cl)c(nc1C)NCc1sc2c(n1)CCC2	EMOLS-id_318633474,MCULE-9268438745	304.798	MMWKRXXUOCOBON-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063957
N#Cc1c(NCc2sc3c(n2)CCC3)ncc(c1C)Cl	MCULE-1411057372,EMOLS-id_318544696	304.798	ADNWKROSOQDGHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063958
N#Cc1cnc(c(c1)Cl)NCCc1sc2c(n1)CCC2	MCULE-1439342560,EMOLS-id_318531660	304.798	ASRTUYZBRJHKIM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063959
N#Cc1c(NCCc2cn3c(n2)SCC3)cccc1Cl	EMOLS-id_318654220,MCULE-9728029781	304.798	BYXRGFCZVUOMBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063960
N#Cc1nc(NCCc2sc3c(n2)CCC3)ccc1Cl	MCULE-5273831769,EMOLS-id_318406075	304.798	JQPRUYREMKHSNO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-063961
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)OC(C)C	MCULE-3571078082,EMOLS-id_330975730	304.814	ZGEZOKJGCDUABM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063962
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)OCCC	MCULE-7207568355,EMOLS-id_330975474	304.814	LMYSVRZTVKSOMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063963
CCc1cc(Cn2nc3CCC(C)c3c2CO)ccc1Cl	MCULE-7067107089,EMOLS-id_330990263	304.814	MXSSNMUYSTXODW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063964
CCc1cc(Cn2nc(CO)c3C(C)CCc23)ccc1Cl	EMOLS-id_331007484,MCULE-8533803088	304.814	FFZUJEFGYCGTRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063965
CCCOc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1	EMOLS-id_331021998,MCULE-7462475234	304.814	GENIQPUQTREBSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063966
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1	MCULE-5788996726,EMOLS-id_331022254	304.814	VUSUOWFBBAJQBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063967
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330956985,MCULE-2142009764	304.814	SNCONVBYUIRVJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063968
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Cl	MCULE-7193205586,EMOLS-id_330959798	304.814	IYPARDCZMJIIEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063969
CCOc1ccccc1Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331009461,MCULE-6898534180	304.814	VQEYPUAOAJQIPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063970
CCOc1ccccc1Cn1nc(CCl)c2C(C)CCc12	EMOLS-id_331025419,MCULE-5243559097	304.814	AULXYJMWRJSOGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063971
CCOc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1	EMOLS-id_331007924,MCULE-3251781108	304.814	LFXWYTPSGONAIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063972
CCOc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1C	MCULE-9911134173,EMOLS-id_331018671	304.814	UAHMCCPLTACIEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063973
CCOc1ccc(Cn2nc3CCC(C)c3c2Cl)c(C)c1	MCULE-3473332261,EMOLS-id_331020718	304.814	VUARGGDCVCHWAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063974
CCOc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1	EMOLS-id_331023882,MCULE-7498301505	304.814	CVNQHHKUNRWZOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063975
CCOc1ccc(Cn2nc(Cl)c3C(C)CCc23)cc1C	EMOLS-id_330976242,MCULE-4134399849	304.814	IYBYOSYVLPGBPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063976
CCOc1ccc(Cn2nc(Cl)c3C(C)CCc23)c(C)c1	MCULE-2433129838,EMOLS-id_330974194	304.814	HGAHXIJKXSVPLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063977
Clc1ccc(cc1)Cn1c2C(O)CCc2nc1C(C)(C)C	PC-id_58460153,SCHEMBL2512492	304.814	LQOODKBHDIDYQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063978
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958262,MCULE-9664611974	304.814	CWPVQQIUVMMSDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063979
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1CCl	MCULE-2404599690,EMOLS-id_331009726	304.814	UKXWLYNELNPISS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063980
COc1ccccc1C(C)n1nc2CCC(C)c2c1CCl	MCULE-2961040048,EMOLS-id_331010736	304.814	RKSGSBDPZOWDLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063981
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CCl	MCULE-7570347454,EMOLS-id_331006908	304.814	VDSJQVCMZIHJHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063982
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331009717,MCULE-1838214913	304.814	DFKMVBRHYSKINU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063983
COc1ccc(C)cc1Cn1nc(CCl)c2C(C)CCc12	MCULE-9633672395,EMOLS-id_331025675	304.814	CTCQBPQALKBNRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063984
COc1ccc(C)c(Cn2nc3CCC(C)c3c2CCl)c1	MCULE-7805747519,EMOLS-id_331007162	304.814	LKENBZIROBUEDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063985
COc1ccc(C)c(Cn2nc(CCl)c3C(C)CCc23)c1	EMOLS-id_331027200,MCULE-9188373230	304.814	DZWJCHSQLWZYRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063986
COc1cccc(Cn2nc3CCC(C)c3c2CCl)c1C	MCULE-4443272290,EMOLS-id_331006906	304.814	METREPUXWLEFMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063987
COc1cc(C)c(Cn2nc3CCC(C)c3c2Cl)cc1C	EMOLS-id_331021742,MCULE-9539495083	304.814	FRJPVMUISIPZQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063988
COc1c(C)cc(Cn2nc3CCC(C)c3c2Cl)cc1C	MCULE-6400699434,EMOLS-id_331018415	304.814	QYWPJUKWHKKSLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063989
COc1ccc(C(C)n2nc3CCC(C)c3c2Cl)c(C)c1	EMOLS-id_330958518,MCULE-3456823417	304.814	JEBMVJAMHIBMFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063990
COc1cccc(Cn2nc(CCl)c3C(C)CCc23)c1C	EMOLS-id_331026944,MCULE-6501841163	304.814	VPHXEBMPXGZCMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063991
COc1c(C)cc(Cn2nc(Cl)c3C(C)CCc23)cc1C	EMOLS-id_330975986,MCULE-5150991683	304.814	GPMWYDXIHZVTGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063992
COc1cc(C)c(Cn2nc(Cl)c3C(C)CCc23)cc1C	MCULE-1262219457,EMOLS-id_330975218	304.814	VGJQISQHTKRXBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063993
COc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1C	EMOLS-id_331008945,MCULE-6651990808	304.814	YLYAJFVSWUSQKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063994
COc1ccc(Cn2nc3CCC(C)c3c2Cl)c(C)c1C	MCULE-9109487621,EMOLS-id_331021486	304.814	YQYSFZILRSSIPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063995
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1C	MCULE-5818665252,EMOLS-id_331024903	304.814	RXKFWYNLCVMQCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063996
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)c(C)c1C	MCULE-4415928727,EMOLS-id_330974962	304.814	HDRAWYBVGILKQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063997
COc1cc(Cn2nc3CCC(C)c3c2CCl)ccc1C	EMOLS-id_331006388,MCULE-5587431934	304.814	LBTZIPMKPFKGMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063998
COc1cc(Cn2nc(CCl)c3C(C)CCc23)ccc1C	EMOLS-id_331022346,MCULE-2687084072	304.814	CSQYYVODVXITRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-063999
COCc1ccccc1Cn1nc2CCC(C)c2c1CCl	MCULE-9815660673,EMOLS-id_331007418	304.814	ZIWOOUHOELSOOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064000
COCc1ccccc1Cn1nc(CCl)c2C(C)CCc12	MCULE-3644342489,EMOLS-id_331027456	304.814	SHLFATJNNNCCPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064001
ClCCCS(=O)(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_314566118,PC-id_43654343	304.816	YPDPORCMQKZPFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064002
CC1CC(c2n1ncn2)NCC(c1ccc(cc1)Cl)(C)C	MCULE-2708416242,EMOLS-id_318607783	304.818	LQZDOIFIGUZJMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064003
CC(NC(c1nnc2n1CCC2)C)Cc1ccc(cc1)Cl	PC-id_104663712	304.818	ILHTVFXQDHLULD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064004
Clc1cccc(c1)C(CNC1CC(n2c1ncn2)C)(C)C	MCULE-8419385664,EMOLS-id_318723663	304.818	IRWICPIBNWLPEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064005
Clc1ccccc1C(CNC1CC(n2c1ncn2)C)(C)C	MCULE-8804622385,EMOLS-id_318561054	304.818	LRPADOGZXCDZQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064006
Clc1cccc(c1)C(CNC(c1nnc2n1CCC2)C)C	EMOLS-id_318021691	304.818	XQAABGCZOCHWKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064007
Clc1ccc(C(NC(c2n3CCCc3nn2)C)CC)cc1	PC-id_43748165	304.818	QSBNBBKEZVFLES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064008
Clc1cc(C(NC(c2n3CCCc3nn2)C)CC)ccc1	PC-id_43748154	304.818	KNSGERUDELFATP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064009
CN(c1cccc(c1CNC1CC(n2c1ncc2)C)Cl)C	MCULE-5416320485,EMOLS-id_318547124	304.818	MKNYGNPLFULCIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064010
Clc1ccc(C(NC2CC2)c2sc3c(n2)CCC3)cc1	PC-id_61334296	304.838	LPMDCHNJEHFAKS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-064011
Clc1cc(C(NC2CC2)c2sc3c(n2)CCC3)ccc1	PC-id_61334490	304.838	PGWHWKGVKWZSSR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-064012
Clc1c(C(NC2CC2)c2sc3c(n2)CCC3)cccc1	PC-id_61335281	304.838	UHKVQPWZKORTJV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-064013
CCc1ccc(cc1CC)C(c1sc2c(c1)CCC2)Cl	PC-id_115482759	304.877	VCRFXLAIXGZELR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064014
ClC(c1sc2c(CCC2)c1)c1c(c(cc(c1C)C)C)C	PC-id_63433689	304.877	MYDZOXZIHRQAPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064015
ClC(c1sc2c(CCC2)c1)c1c(CC)ccc(c1)CC	PC-id_64168351	304.877	OGKCYFRUZIOTMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064016
ClC(c1sc2c(CCC2)c1)c1ccc(C(CC)C)cc1	PC-id_63429954	304.877	LYPZMDBATAHHDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064017
ClC(c1sc2c(CCC2)c1)c1ccc(CC(C)C)cc1	PC-id_63430975	304.877	HTPKVAKUOCUNTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064018
ClC(c1sc2c(CCC2)c1)c1ccc(CCCC)cc1	PC-id_63431729	304.877	IQBIVYUGVXLYBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064019
ClC(c1sc2c(CCC2)c1)c1ccc(C(C)(C)C)cc1	PC-id_63431738	304.877	CPJSEFUNZZSZRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064020
C1C(=c2cc(sc2=C1Br)C#N)Br	PC-id_90928254	304.989	JYKUFBICDMYTMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064021
C1C2=C(CN1)N=C(N2)C(=N)C3=C(C=C(C=C3)Br)N	PC-id_163732538	305.028	AMJFUIRTSOJJCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064022
CC1(C2=NN(C(=C2CN1)NC(=O)C3=CC=CS3)C(=O)[O-])C	PC-id_160703373	305.071	RQXFZOXKOUBEHI-UHFFFAOYSA-M	00000010100100000001000010000000000000000000000000000000	25-01-064023
CC1=NN2CCN(C2=C1C(=O)OC)CC3=CC=CC=C3Cl	PC-id_160251428	305.093	NKLGFUXYZHJXAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064024
CN1C=NC(=CC1=O)NC(=O)NCC2=NC3=C(S2)CCC3	EMOLS-id_317381121,MCULE-4802089839,PC-id_154770411	305.095	OYBIWFBJUJCWOL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064025
CC1C2=C(CN1C(=O)O)N(N=C2NC(=O)C3=NOC(=C3)C)C	PC-id_154484770	305.112	AONDYMBFCLZAFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064026
CCOC(=O)c1[nH]c(I)c2CCCc12	EMOLS-id_324080363,SCHEMBL19318759	305.112	OOPLVVCVGREULZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064027
CC1CC(C2=NC=NN12)NCCCNC(=O)C3=CC=CS3	MCULE-6148742099,EMOLS-id_257946154,PC-id_154766340	305.131	FHAWEJUIQRHIPT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064028
C1CC(CN(C1)CC2=NC3=C(S2)CCC3)C(=O)NC4CC4	MCULE-3260599251,EMOLS-id_337859442,PC-id_165434469	305.156	CBRBEUZKGMVBBE-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-064029
c12C(C)CCc1n(nc2I)CCCN	MCULE-5948181972,EMOLS-id_330983669	305.159	HPIPKMSFNUFVTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064030
c12C(C)CCc1nn(CCCN)c2I	MCULE-5794300419,EMOLS-id_330968758	305.159	SWQIUENGFTVKBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064031
CC1CCc2c1c(CBr)nn2CC1CC1(F)F	EMOLS-id_331034113,MCULE-7394541836	305.162	NSHCJJSQZSTXHM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064032
CC1CCc2nn(CC3CC3(F)F)c(CBr)c12	EMOLS-id_331013051,MCULE-3794817458	305.162	KUWTVLFDQZMCKC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064033
Brc1ccc(cc1)NCc1ccc2n1CCC2=O	PC-id_24160411,TIMTEC52110	305.17	XHOAXKOWXRKYSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064034
C[N+]1=CC=C2N1CCN2CC3=CC(=CO3)C(=NOCCN)N	PC-id_154011283	305.172	FFYREPXQEMVPQA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064035
CC1CN(CC(O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)C	PC-id_153536534	305.174	UFBLZLGZWBPVDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064036
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)C	PC-id_152899561	305.174	UFBLZLGZWBPVDH-TXEJJXNPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064037
COC1=CC(=N/C/1=C/c1cc2c(n1B)CCC2)c1cccn1C	SCHEMBL13936933	305.182	UAIWKOSZPOWJSD-XNTDXEJSSA-N	00000011110000000000100010000000000000000000000000000000	25-01-064038
OC(=O)c1c(Br)sc2c1C(C)(C)OC2(C)C	PC-id_114748382	305.188	AZEYCQJLVGLFGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064039
c12CN(Cc1sc(Br)n2)C(=O)OC(C)(C)C	ZINC22_96307087,SCHEMBL741730,PC-id_18442773,EMOLS-id_45956905,MCULE-1694530994	305.191	CDSSEIKIKLGYMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064040
OCC(c1nnc2n1N=C(C2(Cl)Cl)C(C)(C)C)(C)C	PC-id_101197547	305.204	HSVIQEKLBKKGRQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-064041
[Se]1Cc2c(C1)c(sc2C(=O)OC)C(=O)OC	PC-id_85917774	305.209	ZZRUABWVZRQQJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064042
CC1(CC[C@@H](OC1)CCNC(=O)C2=C3CCCC3=NN2C)C	PC-id_164643036,ZINC22_887410598	305.21	RHLVLMIMKSYBPO-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064043
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)C	EMOLS-id_330965241,MCULE-7115923108	305.213	CMFADAZOONVIDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064044
c12C(C)CCc1nn(Cc1ccc(c(Br)c1)C)c2	MCULE-4443748714,EMOLS-id_331001256	305.213	OJAMIEDVFONTAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064045
c12C(C)CCc1nn(Cc1ccc(cc1Br)C)c2	EMOLS-id_330998953,MCULE-5797126692	305.213	RHBHXOXIFMUGLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064046
c12C(C)CCc1nn(Cc1ccc(cc1C)Br)c2	EMOLS-id_330999976,MCULE-7221682486	305.213	YQGABISDQFAQTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064047
c12C(C)CCc1nn(Cc1cc(C)cc(Br)c1)c2	MCULE-3332302929,EMOLS-id_331001512	305.213	MSPHBSSJTWTCLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064048
c12C(C)CCc1nn(Cc1cc(C)ccc1Br)c2	EMOLS-id_330999209,MCULE-4034920943	305.213	NZVCOWBODFMLBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064049
c12C(C)CCc1nn(Cc1cccc(C)c1Br)c2	EMOLS-id_330999465,MCULE-5794764330	305.213	AQQUCFLXQOSKDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064050
c12C(C)CCc1nn(Cc1ccc(c(C)c1)Br)c2	MCULE-7165845496,EMOLS-id_331000232	305.213	AQGKSGXECMEUJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064051
CC1CCc2c1c(Br)nn2Cc1ccccc1C	EMOLS-id_330969585,MCULE-2827832442	305.213	ZXNNNKYXRDPROG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064052
CC1CCc2c1c(Br)nn2Cc1cccc(C)c1	MCULE-6822187421,EMOLS-id_330969330	305.213	OOYYWGRXHVHPRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064053
CC1CCc2c1c(CBr)nn2Cc1ccccc1	EMOLS-id_331029261,MCULE-4155022878	305.213	ILGPKPLCKLRAQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064054
CC1CCc2c1cnn2Cc1ccc(Br)cc1C	MCULE-2781935563,EMOLS-id_331018218	305.213	LBFLKEUHMMJKNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064055
CC1CCc2c1cnn2Cc1ccc(Br)c(C)c1	EMOLS-id_331014379,MCULE-2042245154	305.213	NSXZONIRCSIBGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064056
CC1CCc2c1cnn2Cc1cc(C)cc(Br)c1	EMOLS-id_331015659,MCULE-6112273993	305.213	VPTXCTSPSYOKCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064057
CC1CCc2c1cnn2Cc1ccc(C)c(Br)c1	MCULE-3961482365,EMOLS-id_331015403	305.213	HVCDLKBWYXGHOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064058
CC1CCc2c1cnn2Cc1cc(C)ccc1Br	EMOLS-id_331017451,MCULE-1426460198	305.213	HEDBKKIXBNUFOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064059
CC1CCc2c1cnn2Cc1ccc(C)cc1Br	MCULE-2920283267,EMOLS-id_331017195	305.213	UEVYEXFBFRNVGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064060
CC1CCc2c1cnn2Cc1cccc(C)c1Br	MCULE-5963597612,EMOLS-id_331017707	305.213	UGTMNOZDBYNYKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064061
CC1CCc2nn(Cc3ccccc3)c(CBr)c12	EMOLS-id_331012279,MCULE-3047776840	305.213	WORIPLVYOVRUJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064062
CC1CCc2nn(Cc3ccccc3C)c(Br)c12	MCULE-6681187512,EMOLS-id_331017133	305.213	BHFSTWRMWNMOLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064063
CC1CCc2nn(Cc3cccc(C)c3)c(Br)c12	EMOLS-id_331016878,MCULE-3545667283	305.213	GEJPINKMHHHIGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064064
CC1CCc2nn(Cc3ccc(C)cc3)c(Br)c12	MCULE-4356472199,EMOLS-id_331016869	305.213	YOEGTXCSSQVCKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064065
CC(C)(c1n[nH]c2CCCc12)c1ccc(Br)cc1	EMOLS-id_337933080	305.213	CGIYQQVOUVMKTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064066
CC(C)(c1n[nH]c2CCCc12)c1cccc(Br)c1	EMOLS-id_337932313	305.213	GEGURBQIVAOSAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064067
C1CC1CNC2(CCN(CC2)CC3CCC4=NC=NN34)CO	PC-id_154740447,EMOLS-id_317352712,MCULE-3494733144	305.222	RKCOROBVFVEBGO-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-064068
Clc1sc(Cl)cc1C(O)c1sc2c(CCC2)c1	PC-id_61080850	305.243	DTNRCAHVEZNAHP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064069
CC1N(CCOC1C(F)(F)F)C(=O)c1nn2c(c1)OCC2	EMOLS-id_316840709,MCULE-9449160882	305.253	BMMWAMFKRRBCAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064070
C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_619267055	305.253	BMMWAMFKRRBCAE-GMSGAONNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064071
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_619267056	305.253	BMMWAMFKRRBCAE-OIBJUYFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064072
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_619267057	305.253	BMMWAMFKRRBCAE-XCBNKYQSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064073
C[C@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_619267059	305.253	BMMWAMFKRRBCAE-XVKPBYJWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064074
O=C(c1nn2c(c1)OCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_319106052	305.253	AYIKKMBOLFRRTB-SFYZADRCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064075
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCC(F)(F)F	PC-id_134798160	305.256	CCZKCHKEEIUXQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064076
C[C@@]1(NC(=O)c2cnn3c2CC(F)(F)C3)CCC(F)(F)C1	ZINC22_1875319242	305.271	UVAAKVFOXHYSRI-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064077
C[C@]1(NC(=O)c2cnn3c2CC(F)(F)C3)CCC(F)(F)C1	ZINC22_1875319243	305.271	UVAAKVFOXHYSRI-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-064078
COc1cc(ccc1OC)C(N1Cc2c(C1=O)no[n+]2[O-])C	PC-id_67822311,SCHEMBL9305995	305.286	ZUVXBVBFWJTDTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064079
COc1cc(CCN2Cc3c(C2=O)no[n+]3[O-])ccc1OC	PC-id_18957968,SCHEMBL9305997	305.286	RCLDMCIHSSAKPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064080
COc1ccc(OC[C@@]2(C)Cn3cc([N+](=O)[O-])nc3O2)cc1	CHEMBL218751,PC-id_6483570	305.286	PJJPXTPXTJSGQY-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064081
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(OC)cc1)C	PC-id_78413377	305.286	PJJPXTPXTJSGQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064082
COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)c1cn(C)nc1OC	ZINC22_1875313485	305.289	SBAIMCWXFUXPQK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-064083
COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)c1cn(C)nc1OC	ZINC22_1875313486	305.289	SBAIMCWXFUXPQK-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064084
c12CN(Cc1nn(C(C)C)c2C(=O)OCC)CC(F)(F)F	EMOLS-id_324344942,MCULE-6410169009	305.296	LZIJSIMOMAMMPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064085
c12CN(Cc1nn(CC(C)C)c2C(=O)OC)CC(F)(F)F	MCULE-1766554734,EMOLS-id_324341867	305.296	QPMFGQNDLNGGAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064086
O=C(N1Cc2c(C1)n(c(n2)C)CC(F)(F)F)OC(C)(C)C	SCHEMBL17380749,PC-id_118614474	305.296	KGQQERYIRRQTSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064087
c12CN(Cc1nn(CC(F)(F)F)c2C#C)Cc1ccccc1	EMOLS-id_324360290,MCULE-7070169308	305.298	KMOALCAKRYIPQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064088
CC1CCc2c1c(nn2Cc1ccc(cc1)C(F)(F)F)C#N	EMOLS-id_331019762,MCULE-1214644205	305.298	IWJDSBYLBRYUEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064089
CC1CCc2c1c(nn2Cc1ccccc1C(F)(F)F)C#N	EMOLS-id_331022066,MCULE-8007523324	305.298	QYWWULPTGGBIMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064090
CC1CCc2c1c(nn2Cc1cccc(c1)C(F)(F)F)C#N	MCULE-7458129084,EMOLS-id_331020019	305.298	MFMCTZWKCZNFKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064091
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(C#N)c12	EMOLS-id_330998717,MCULE-1625034733	305.298	QHFMNADJEXGXKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064092
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(C#N)c12	EMOLS-id_331000508,MCULE-8519876399	305.298	DPHFOOAKHXEKTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064093
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(C#N)c12	EMOLS-id_331000765,MCULE-4289503270	305.298	ODPBJDMFAFHXKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064094
N#Cc1c(NC(=O)c2ccnc(c2F)F)sc2c1CCC2	PC-id_105380573	305.303	PTRPBCCORPMTAT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-064095
c12CN(Cc1nn(CCF)c2O)C(=O)OCc1ccccc1	MCULE-9837706274,EMOLS-id_324338795	305.304	PWSDOQLNTZHPCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064096
C1COc2c(c(nn12)C(=O)NC(Cc1ccccc1)CO)F	PC-id_91960071	305.304	NNZZJSSDKCQYAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064097
C1COc2c(c(nn12)C(=O)NCCC(c1ccccc1)O)F	PC-id_91960068	305.304	OYHHDPNNOFJJBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064098
COCc1oc2c(n1)CN(C2)C(=O)NCc1cccc(c1)F	PC-id_97406042	305.304	WVZSPTUPZZVFNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064099
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)[O-]	PC-id_74789717	305.304	PQMFIEZLKDVBJL-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-064100
s1c2CC[C@H](c2nc1NC(=O)c1ccc(F)cc1)C(=O)[O-]	PC-id_42281827	305.304	PQMFIEZLKDVBJL-SECBINFHSA-M	00000010100000110001000010000000000000000000000000000000	25-01-064101
s1c2CC[C@@H](c2nc1NC(=O)c1ccc(F)cc1)C(=O)[O-]	PC-id_42281829	305.304	PQMFIEZLKDVBJL-VIFPVBQESA-M	00000010100000110001000010000000000000000000000000000000	25-01-064102
OC(=O)C1(CCn2c1ccc2C(=O)c1cscc1)C(=O)O	PC-id_70542967,SCHEMBL11228041	305.306	BMANIQUEZMMPOL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064103
COc1cc(ccc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_318979452	305.308	JTIQOGDFPWCOJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064104
COc1cc(cc(c1)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319122348	305.308	DVKKODFDZPNWCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064105
COc1cccc(c1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319545112	305.308	QBDGBXSQMMGXNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064106
COc1ccc(cc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319568470	305.308	DKWAICVBJOWYGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064107
COc1ccc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319261786	305.308	ZUZOYQQYHPKCOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064108
COc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1F	EMOLS-id_31983798,PC-id_51082665,ZINC22_48450966,MCULE-5757183538	305.308	CGOPMZAPHJXFEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064109
COc1cc(F)ccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319644573	305.308	IXOZSDFTLDFXDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064110
COc1c(C(=O)N[C@H](C)c2nnc3n2CCC3)ccnc1F	ZINC22_930484608	305.308	PLKJFWIQCJMUIC-MRVPVSSYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064111
COc1c(C(=O)N[C@@H](C)c2nnc3n2CCC3)ccnc1F	ZINC22_930484609	305.308	PLKJFWIQCJMUIC-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064112
COc1c(F)nccc1C(=O)NC(c1nnc2n1CCC2)C	MCULE-9279441581,PC-id_145906281,EMOLS-id_324074366	305.308	PLKJFWIQCJMUIC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064113
S1CCn2c1nnc2NC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_44007639	305.312	AZNRWXNTRMHAFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064136
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)O)(C)C)nc(cc1)C	SCHEMBL4442095,PC-id_69046179	305.308	QFMGSWDKSZDXHT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064114
FCCn1nc(ccc1=O)C(=O)NCc1n[nH]c2c1CCC2	MCULE-5125586230,EMOLS-id_320262199	305.308	COCSYVQFMOYHRX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064115
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CCCCS(=O)(=O)O	PC-id_141088095	305.308	JLEAKKGHLWBAOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064116
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CCCOS(=O)(=O)C	SCHEMBL5538008,PC-id_23081120	305.308	JPQTWPMUOLXMTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064117
Oc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)[N+](=O)[O-]	PC-id_102741558	305.309	RYGHYAFKENNDSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064118
O=C(c1cccc(c1O)[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_103799899	305.309	XGDMMCCLQSNQNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064119
OC(=O)c1cccc(c1Nc1sc2c(n1)CCC2)[N+](=O)[O-]	PC-id_115932283	305.309	OQAANCYHZISWIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064120
OC(=O)c1ccc(cc1[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_104499588	305.309	UWXMDIZNNQYQIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064121
OC(=O)c1cccc(c1[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_115542304	305.309	DTHVPIFELBANLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064122
s1c2CCCc2cc1C(=O)NN=Cc1oc([N+](=O)[O-])cc1	PC-id_85015462	305.309	PQJAVYFRCWSPQT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064123
s1c2c(CCC2)c(c1NC(=O)C1N=NC(=O)C=C1)C(=O)O	PC-id_74865504	305.309	KOFHRNDBRFNOOB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-064124
s1c2c(CCC2)c(c1NC(=O)c1n[nH]c(=O)cc1)C(=O)O	PC-id_43172354	305.309	ZHWXXQFGMOTYMU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064125
s1c2CCCc2nc1Nc1c(ccc([N+](=O)[O-])c1)C(=O)O	PC-id_64048217	305.309	LRCAQZCLARLTDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064126
s1c2CCCc2nc1Nc1c(cc([N+](=O)[O-])cc1)C(=O)O	PC-id_61511861	305.309	BCGFPYGCPCMLPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064127
s1c2CCCc2nc1Nc1cc(c([N+](=O)[O-])cc1)C(=O)O	PC-id_61511863	305.309	UUVIIXLCDGWGMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064128
s1c2CCCc2nc1Nc1c([N+](=O)[O-])cc(cc1)C(=O)O	PC-id_61511830	305.309	MZQVWLZGPCEJIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064129
s1c2CCCc2nc1Nc1c([N+](=O)[O-])ccc(c1)C(=O)O	PC-id_82769551	305.309	XKYNXJOQZLFQDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064130
S1Cc2c(noc2NC(=O)c2c(c([N+](=O)[O-])ccc2)C)C1	PC-id_49719056	305.309	AFIKNRSNTIVTHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064131
S1Cc2c(noc2NC(=O)c2cc([N+](=O)[O-])c(cc2)C)C1	PC-id_49719057	305.309	LKFAVCXSCSMJRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064132
Nc1ncc(c(c1)C(=O)Nc1sc2c(n1)CCC2)[N+](=O)[O-]	PC-id_105618958	305.312	MBDAKIKKBZKPSY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064133
O=C(c1cc(cnc1N)[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_104585578	305.312	BFMJHEZUMFBSDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064134
S1CCn2c1nnc2NC(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_44007638	305.312	BUFOBNPQROCXDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064135
S1CCn2c1nnc2NC(=O)Cc1ccc([N+](=O)[O-])cc1	PC-id_44007650	305.312	BVXMGBDIVFKSIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064137
O=[N+]([O-])c1c(NCc2nnc3n2CCC3)nc2sccn12	MCULE-4544077763,ZINC22_25005911,PC-id_18205584,EMOLS-id_44039235	305.316	QYRORPYKDBPRDW-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-064138
s1c2CCCc2nc1NC(=O)C1(CCNC1)C(F)(F)F	PC-id_63709514	305.319	SDTKSKSTXPXVQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064139
s1nc(nc1N/N=C/1c2n(N=C1NC(=O)C)nc(n2)C)C	PC-id_59696929	305.319	VXSWESVZYMTKLH-AUWJEWJLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-064140
s1nc(nc1NN=C1c2n(N=C1NC(=O)C)nc(n2)C)C	PC-id_71098875	305.319	VXSWESVZYMTKLH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-064141
c1(C(=O)N)c2C(C)CCc2n(Cc2c(C)cc(cc2F)F)n1	MCULE-1262426439,EMOLS-id_331038476	305.322	LNGUTWPBTNTAAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064142
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(F)c2C)F)n1	EMOLS-id_331038220,MCULE-2633944601	305.322	RQYIPJRETFHCII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064143
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)cc(F)c2C)n1	MCULE-1758120574,EMOLS-id_331037964	305.322	SNYDMDQJPAWBKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064144
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(F)c1C)F	MCULE-8275299711,EMOLS-id_331020214	305.322	KEDLEGIRBGJJPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064145
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)cc(F)c1C	MCULE-2635394109,EMOLS-id_331019958	305.322	YWZOOJVBTYEZHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064146
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1F)F	EMOLS-id_331020985,MCULE-8335517199	305.322	IDPUICICDHSYQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064147
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)F	EMOLS-id_331021241,MCULE-8321372093	305.322	MSDKNUQNIPFOAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064148
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(F)c1F	MCULE-5148766778,EMOLS-id_331021755	305.322	QNAWPQGELUKDMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064149
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(F)ccc1F	MCULE-5710932498,EMOLS-id_331021499	305.322	QWLKPHXKWHZSFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064150
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(C(=O)N)c12	MCULE-5577500467,EMOLS-id_331020470	305.322	JAHACTGZUMQGTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064151
Cc1ccc(cc1)C(C(=O)NC1CC(n2c1ncc2)C)(F)F	EMOLS-id_318538223	305.322	MCYFAMLEFROBAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064152
Cc1ccc(cc1)C(C(=O)Nc1n(C)nc2c1CCC2)(F)F	EMOLS-id_318484813	305.322	UATIDTXXAYUMBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064153
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1C(=O)N	MCULE-9503538644,EMOLS-id_331021243	305.322	HPHQCYAGYNRORY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064154
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_571326555	305.322	NAZBCIMKYMEMMA-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-064155
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_571326561	305.322	NAZBCIMKYMEMMA-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064156
CN(C(=O)c1n[nH]c2c1CCC2)C(c1ccc(c(c1)F)F)C	EMOLS-id_318698839	305.322	BCLHFBGBIYEWPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064157
Fc1ccc(c(c1)C(N(C(=O)c1cn2c(n1)CCC2)C)C)F	EMOLS-id_316904623,MCULE-6600774669	305.322	NAZBCIMKYMEMMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064158
Fc1ccc(c(c1)C(N(C(=O)c1n[nH]c2c1CCC2)C)C)F	EMOLS-id_318489851	305.322	UOOQURFXVAZAME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064159
Fc1ccc(c(c1)F)C(NC(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_318577101	305.322	ZXTOSLAZIQWSHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064160
Fc1ccc(c(c1)F)C(NC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_318596721	305.322	PGNZFJARZFGZLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064161
Fc1ccc(c(c1)F)C(NC(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_318540868	305.322	CZTYLACMGMGGDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064162
O=C(c1cc2n(n1)CCC2)NC(c1ccc(c(c1)F)F)(C)C	EMOLS-id_318452015	305.322	KBGKGKAZNFZUSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064163
O=C(c1ccc(cc1)C(F)(F)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318669802	305.322	MRVFJMXVCOKZGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064164
O=C(c1cccc(c1)C(F)(F)C)NCc1cc2n(n1)CCC2	EMOLS-id_318911473	305.322	CZBGNZWYKNMUMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064165
O=C(c1ccc(cc1)C(F)(F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319236655	305.322	JUGMZMHPLZSZKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064166
O=C(c1cnc2n1CCC2)NC(c1ccc(c(c1)F)F)(C)C	EMOLS-id_318488738	305.322	KUKVPAVWLHXYAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064167
O=C(c1cnn2c1CCC2)NC(c1ccc(c(c1)F)F)(C)C	EMOLS-id_318599359	305.322	YTNKLSCZHSCCGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064168
O=C(c1n[nH]c2c1CCC2)N(Cc1ccccc1)CC(F)F	ZINC22_96432637,EMOLS-id_49060974,PC-id_71993468,MCULE-2119177164	305.322	MHBXYPVSHFBYRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064169
O=C(C(c1ccccc1C)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318604468	305.322	FFENFOOIBLDTAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064170
O=C(C(c1ccccc1C)(F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318738426	305.322	ALKVFDVQAIBCNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064171
O=C(Cc1cccc(c1)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_319678595	305.322	ORTDQYCZQGJJBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064172
O=C(Cc1cccc(c1)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319239788	305.322	AUQFAIGUVLBJHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064173
O=C(Cc1ccc(cc1)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320063732,MCULE-3676272291	305.322	FVICRGKYAVXETI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064174
O=C(C(c1ccc(c(c1)F)F)C)NC1CC(n2c1ncc2)C	EMOLS-id_318492072	305.322	CXBPNOUXMMTHBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064175
O=C(C(c1ccc(cc1F)F)C)NC1CC(n2c1ncc2)C	EMOLS-id_318621180	305.322	PAENGADWQMLVAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064176
O=C(C(c1ccc(c(c1)F)F)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318568931	305.322	VAGSMZKPCQSHQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064177
O=C(C(c1ccc(cc1F)F)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318690796	305.322	IZHHRAOKQSMDLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064178
O=C(C(c1ccc(cc1F)F)C)NCc1cnc2n1CCC2	EMOLS-id_319895963,MCULE-1756092865	305.322	OYMAFSZZNCEQGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064179
O=C(Cc1cc(F)c(cc1F)C)NCc1cnc2n1CCC2	EMOLS-id_319130748	305.322	XCMTXKLCQJKHRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064180
O=C(C(c1c(F)cccc1F)C)NC1CC(n2c1ncc2)C	EMOLS-id_318599131	305.322	CICJGFUOTNMCPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064181
O=C(C(c1c(F)cccc1F)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318713061	305.322	QOWSKJSMNAVDLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064182
O=C(C(c1c(F)cccc1F)C)NCc1cnc2n1CCC2	EMOLS-id_319301198	305.322	PLAVOCAJJJQDBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064183
O=C(C(c1c(F)cccc1F)C)NCc1n[nH]c2c1CCC2	MCULE-6484857763,EMOLS-id_320241473	305.322	FUOWKJIAJYZWQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064184
O=C(NC1CC(n2c1ncc2)C)Cc1cc(F)c(cc1F)C	EMOLS-id_318746202	305.322	MVPQTEDDZMOGGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064185
O=C(Nc1n(C)nc2c1CCC2)Cc1cc(F)c(cc1F)C	EMOLS-id_318407925	305.322	JVFUFPXYMNJANQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064186
O=C(NCc1cnc2n1CCC2)CCc1ccc(cc1F)F	EMOLS-id_319273018	305.322	NBQPLPMPYDCWGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064187
O=C(NCc1cnc2n1CCC2)CCc1cc(F)ccc1F	EMOLS-id_320240440,MCULE-8551199506	305.322	RYMVRBZMYGHKRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064188
O=C(NCc1n[nH]c2c1CCC2)CCc1ccc(cc1F)F	EMOLS-id_319254204	305.322	YEYWPBOPTUNGNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064189
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)O	BAS-02055441,ChEMBL-DNDi_CHEMBL1465240,TIMTEC154506,PC-id_828417,CoCoCo_229880,STOCK1S-74668,EMOLS-id_1364871,MCULE-2430678569,CHEMBL1465240,BindingDB_PC-id_828417,ZINC22_349870,BindingDB-id_152956	305.324	FSAQWXZVBNUNSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064190
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)O	PD114580,MCULE-2348408806,CHEMBL1483033,EMOLS-id_1364861,BAS-02055431,PC-id_747201,ZINC22_191609,CoCoCo_229875,ChEMBL-DNDi_CHEMBL1483033,Chemmine_7695,STOCK3S-27688	305.324	YTCLNFRWWDXEMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064191
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)O	PC-id_28860204,MCULE-6714923987	305.324	XRPABRBIRTXBHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064192
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)F)C(=O)O	PC-id_103791412	305.324	RXVLITBNMBMYQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064193
s1c2CCCc2cc1C(=O)Nc1cc(ccc1F)C(=O)O	PC-id_60748549	305.324	CYZPSXKSPYZFMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064194
s1c2CCCc2cc1C(=O)Nc1c(cccc1F)C(=O)O	PC-id_81495073	305.324	VFXRWFRITHYAKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064195
s1c2CCCc2cc1C(=O)Nc1c(ccc(F)c1)C(=O)O	PC-id_25750360	305.324	IOHITXUUTQHEGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064196
s1c2CCCc2cc1C(=O)Nc1c(cc(F)cc1)C(=O)O	PC-id_29562785	305.324	BMMYVXBBJCFRMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064197
s1c2CCCc2cc1C(=O)Nc1cc(c(F)cc1)C(=O)O	PC-id_60749925	305.324	DRXRNQOXCMBKBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064198
s1c2CCCc2cc1C(=O)Nc1c(c(F)ccc1)C(=O)O	PC-id_43442922	305.324	IRNLDXYRALEXDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064199
s1c2CCCc2cc1C(=O)Nc1c(F)cc(cc1)C(=O)O	PC-id_63190393	305.324	WGUUFQZEUGQEJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064200
c12c(CCC1C(=O)N)sc(NC(=O)c1ccc(cc1)F)n2	MCULE-3334171902,PC-id_16947312,EMOLS-id_29275257	305.327	QHKBWYVJODHDLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064201
CCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CC=C2C(=O)O	SCHEMBL10818221,PC-id_88673064	305.327	ZRZPPLLJMCPTOP-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-064202
COCc1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324901895	305.327	FDKLZLBJWZXNNL-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064203
Fc1cccc(n1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_115497566	305.327	MDHYSYNYJAPNLQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-064204
n12nc(nc1sc(=Cc1ccc(c(C)c1)F)c2=O)COC	MCULE-7960618255	305.327	FDKLZLBJWZXNNL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064205
NC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc12	ZINC22_9131709,CoCoCo_5124798,PC-id_40945638	305.327	QHKBWYVJODHDLR-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-064206
NC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc12	ZINC22_9131710,CoCoCo_5124799,PC-id_40945639	305.327	QHKBWYVJODHDLR-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064207
O=C(c1cccnc1F)Nc1sc2c(c1C(=O)N)CCC2	PC-id_108091611	305.327	ITKRBTVNGCXDTF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-064208
O=C(c1ccncc1F)Nc1sc2c(c1C(=O)N)CCC2	PC-id_105066554	305.327	UNRQSRLAOHOMHX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-064209
OC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)c1ccco1	SCHEMBL1006753	305.327	QSPRBOIWISPAJC-UKTHLTGXSA-N	00000010101000110000100010000000000000000000000000000000	25-01-064210
OC(=O)c1[nH]c2CCC(=Cc3cc(ccc3)c3occc3)c2c1	PC-id_66874567	305.327	QSPRBOIWISPAJC-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-064211
s1c2c(CCC2)c(c1NC(=O)c1ccc(F)nc1)C(=O)N	PC-id_63980318	305.327	ZGVREYGNJAHRCF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-064212
s1c2c(CCC2)c(c1NC(=O)c1cc(F)ncc1)C(=O)N	PC-id_61294405	305.327	ZNLOPXDGTXDKJC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-064213
O=C1CCCC1C1COCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_100540116	305.329	MKYUWQFPXQOYLR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064214
c1(C(=O)N(CC)Cc2onc(COC)n2)c2CCCc2[nH]n1	EMOLS-id_49876550,ZINC22_215415967,MCULE-8092309086,PC-id_77084338	305.332	ITTNLXHGJRHEKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064215
Cc1cc(=O)n(CCN2Cc3cnn(CCO)c3C2)c(O)n1	PC-id_118763748,EMOLS-id_68876100,ZINC22_299768003,MCULE-6356198396	305.332	DXMYRJWXAHQACL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064216
CC(C)(C)c1nc(=NCc2nn3c(c2C(=O)O)CCC3)[nH]o1	ZINC22_2325821689	305.332	QFEYAQXOZQYRAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064217
O=C(NC1CC(n2c1ncc2)C)NC1CCC(=O)N(C1=O)C	EMOLS-id_102198778	305.332	QUQMSSKNXHZPSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064218
c12CN(Cc1cnn2CCO)C(=O)Nc1cn(nn1)CCC	MCULE-8285040169,ZINC22_299789794,PC-id_118796180,EMOLS-id_68942122	305.336	FMTYZRBUJAUTQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064219
CCn1nc(C)c([N+](=O)[O-])c1NCCc1nnc2n1CCC2	MCULE-9195572452,PC-id_121570047,EMOLS-id_76034811,ZINC22_253432409	305.336	YYDWBAZMNMZJAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064220
OC(c1sc2c(c1)CCC2)c1cnc(s1)C(F)(F)F	PC-id_106786645	305.339	FURJZTNRKJGOLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064221
CCOC(=O)C1CCc2c1nc(s2)CCOCC(F)F	PC-id_103146552	305.341	LGRPUWOWMHKVTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064222
FC(c1csc(n1)CNc1sc2c(n1)CCC2)(F)F	MCULE-7938840671,EMOLS-id_318416816	305.342	LARZZXIAOLNYPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064223
FC(c1csc(n1)NCc1sc2c(n1)CCC2)(F)F	MCULE-8310544309,EMOLS-id_318712009	305.342	WNDVUFOBSPBJMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064224
FC(c1nnc(s1)NCc1sc2c(c1)CCC2)(F)F	PC-id_114448426	305.342	QHHMQILQINXSPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064225
FC(c1nsc(n1)NCc1sc2c(c1)CCC2)(F)F	PC-id_107304800	305.342	NUQHZGDONQACOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064226
CC1CN(CCC1(F)F)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99484516	305.344	ANYXIWJVTCASFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064227
FC1(F)CC(C1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101801591	305.344	PWIGTFOAVGJAPJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064228
FC1(F)CC(C1)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320039671,MCULE-6876250495	305.344	AFQPNAGWHZVBGZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064229
FC1(F)CCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100724855	305.344	BPIUOLMWJSIAOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064230
FC(C1CCC(CC1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)F	EMOLS-id_319626388	305.344	DTEYRUUAVYNSMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064231
FC(C1CCC(CC1)S(=O)(=O)N1CCn2c1ncc2)F	EMOLS-id_319192653	305.344	MFURROWMFCBEGP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064232
FC(C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_100240864	305.344	YHJDNTVINDMUGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064233
c1(NC(=O)c2ccc(C)o2)sc2c(CCC2)c1C(=O)OC	CoCoCo_907460,EMOLS-id_2202260,MCULE-2477141603,ChEMBL-DNDi_CHEMBL7297858,PC-id_887756,ZINC22_461375	305.349	WEZXUOKEZSLVSN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064234
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_96721,PC-id_722818,MCULE-7113048388,EMOLS-id_1107688,ZINC22_127239,BAS-00570352,ChEMBL-DNDi_CHEMBL5555587	305.349	LKVXCHNPJYWKHN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064235
c1(NC(=O)c2ccoc2C)sc2c(CCC2)c1C(=O)OC	PC-id_896090,MCULE-6267888434,BindingDB-id_70742,ChEMBL-DNDi_CHEMBL1534097,CHEMBL1534097,TIMTEC304057,ZINC22_473442,BindingDB_PC-id_896090,CoCoCo_895253,EMOLS-id_2195108	305.349	MDBPHXAAOQMYLA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064236
CCc1occc1C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_105717457	305.349	HXQOJXTYXJFHAV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064237
n1c(COc2ccc(cc2OC)C(=O)O)sc2CCCc12	PC-id_24252867,MCULE-6420821138	305.349	HLDWKWJBGIKBLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064238
Oc1cc(O)c(c(c1)O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_320169207,MCULE-8935030756	305.349	VARILLFXFNDJMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064239
O=C(c1occ2c1CCC2)Nc1cccc(c1)S(=O)(=O)C	EMOLS-id_318478189	305.349	JUVKUYCHSDHIEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064240
O=C(c1occ2c1CCC2)Nc1ccc(cc1)S(=O)(=O)C	EMOLS-id_318523394	305.349	JWAYMGZZSIAYTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064241
O=C(c1occ2c1CCC2)Nc1ccccc1S(=O)(=O)C	EMOLS-id_318578229	305.349	PJBYEFULGSCCAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064242
O=C(c1sc2c(c1)CCC2)NCc1cc(c(o1)C)C(=O)O	EMOLS-id_51278369,PC-id_61023549,MCULE-5081533160	305.349	TUZCXBNKMAOALA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064243
O=C(c1sc2c(c1)CCC2)N(Cc1ccc(o1)C(=O)O)C	EMOLS-id_318767066,MCULE-9163991702	305.349	KYBSMZXFIDRBME-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064244
O=C(COC(=O)c1cc2c(s1)CCC2)NCc1ccco1	PC-id_4782217,CoCoCo_2840937,ZINC22_4581556	305.349	QNXQOPHCQZXFAU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064245
s1c2c(CCC2)c(c1NC(=O)c1c(oc(c1)C)C)C(=O)O	PC-id_43328018	305.349	BSAQVJHWYWGCOS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064246
s1c2c(CCC2)c(c1NC(=O)c1oc(CC)cc1)C(=O)O	PC-id_43359883	305.349	GZNBLRQSVYJDAB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064247
s1c2c(CCC2)c(c1NC(=O)CCc1occc1)C(=O)O	PC-id_43145444	305.349	TUISUTVXAGGUKY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064248
c12CN(Cc1sc(N)n2)C(=O)COc1ccccc1OC	MCULE-1915648995,PC-id_82194170	305.352	CDAUGBVHVDLFCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064249
c1(ccn[nH]1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328163753,MCULE-1672832523	305.352	RKHOOOXWQHRDSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064250
c1(C(=O)Nc2ccccc2S(=O)(=O)C)c2CCCc2[nH]n1	MCULE-3907676303,EMOLS-id_335076995	305.352	DDYYVHPTMDFPHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064251
c1(C(=O)Nc2c(C)csc2C(=O)OC)c2CCCc2[nH]n1	MCULE-6954185582,EMOLS-id_331121966,ZINC22_1875246701	305.352	KCJZEHQNLKWRJU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064252
c1(NC(=O)c2ccn(C)n2)sc2c(CCC2)c1C(=O)OC	BindingDB-id_110481,SPECS-id_AK-968/14002019,ZINC22_2750025,ChEMBL-DNDi_CHEMBL1585579,TIMTEC517370,BindingDB_PC-id_4668907,MCULE-6646399643,EMOLS-id_3993911,CoCoCo_5822701,PC-id_4668907	305.352	WAUTZUVLOJRFQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064253
c1(NC(=O)c2ccnn2C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_16927866,ZINC22_11695066,PC-id_42110483,CoCoCo_5259546,MCULE-9209983217	305.352	GZTHLESUBBUVCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064254
c1(NC(=O)c2c(C)noc2C)sc2c(CCC2)c1C(=O)N	CHEMBL1406054,ZINC22_1055469,BindingDB_PC-id_1246770,EMOLS-id_2042952,BindingDB-id_134156,MCULE-4532105708,PC-id_1246770,CoCoCo_542685,TIMTEC603208	305.352	ZSRMYALZOJVXGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064255
c1(NC(=O)c2cnn(C)c2)sc2c(CCC2)c1C(=O)OC	PC-id_4769946,TIMTEC267799,ZINC22_2778578,EMOLS-id_3993913,CoCoCo_6579322,MCULE-5153710238	305.352	KOIBROHWEFJZAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064256
c
(=N/C(=O)c2n(C)cc(c(=O)c2)OC)/sc2c(CCC2)[nH]1	ZINC22_49550825,PC-id_51054735,EMOLS-id_31669476,EMOLS-id_46560049,MCULE-1854856701,STOCK7S-10897	305.352	JHSOTIOVIGXNKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064257
c1(NC(=O)COc2c[nH]c(cc2=O)C)sc2c(CCC2)n1	EMOLS-id_48563448,PC-id_71700869,ZINC22_95472431,STOCK7S-40650,EMOLS-id_49394057,MCULE-9310240516	305.352	WCAXBNWRGUJCGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064258
c1(NC(=O)NCc2ccco2)sc2c(CCC2)c1C(=O)N	STOCK6S-05771,ZINC22_6661136,CoCoCo_1093806,PC-id_8029512,EMOLS-id_4733295,MCULE-3682473416	305.352	SCGCBXRIGLKUCU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064259
Cc1cccc(S(=O)(=O)NC(=O)c2cnn3c2CCC3)c1	ZINC22_835033274,EMOLS-id_316920167,MCULE-2173469192	305.352	MVNUPNKZRDFHIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064260
CC1(CCSc2ccccc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_141088115	305.352	UQTSCEHJJXIKBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064261
Cc1csc2[n+]1C(=O)/C(=Cc1ccc([N+](=O)[O-])cc1)/S2	CoCoCo_5722864,ZINC22_17222293	305.352	SJEGRZPVNHDFFB-IZZDOVSWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064262
s1c2CCCc2cc1C(=O)NN/C=C(/C(=O)OCC)C#N	PC-id_8811849	305.352	ODUWIHIJNDODQL-CSKARUKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064285
Cc1csc2[n+]1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)/S2	CoCoCo_5722865,ZINC22_1636461,PC-id_5929260	305.352	SJEGRZPVNHDFFB-WDZFZDKYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064263
Cc1occc1C(=O)NCC(=O)Nc1nc2c(s1)CCC2	MCULE-4478270911,PC-id_75526063,EMOLS-id_48216994,ZINC22_51013168	305.352	UCHQZGXWVXZUOU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064264
CCC(=O)c1cccc(S(=O)(=O)N2CCn3ccnc23)c1	MCULE-6595456225,EMOLS-id_177319373,ZINC22_585138089	305.352	NTAAUXAXFGRAGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064265
CCOc1ccc(cn1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104289077	305.352	LCYCFVAMUDLPKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064266
CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)Cc1cccs1	PC-id_69253669,SCHEMBL4950822	305.352	LSGJFZDEYUFYQO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064267
Cn1cc(c(n1)C)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_102801206	305.352	ROFZLOWQJORIFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064268
COc1ccc(cn1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288674	305.352	WMJHALDJGDRGLX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064269
COc1nccc(c1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288643	305.352	AUTZBMKFMGNIAK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064270
COC(=O)c1cc(nn1C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_316489376	305.352	CRYNUJDLBBSKLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064271
COC(=O)c1cc(n(n1)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319738886	305.352	MWZXYIWZNLPEIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064272
COC(=O)c1sccc1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319642147	305.352	WBSBTGLVUFBHMB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064273
O=C(c1[nH]c2c(c1)CCC2)Nc1ncc(s1)C1(O)COC1	EMOLS-id_318926852	305.352	HZSSHAGNSDQDIG-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-064274
O=C(c1sc2c(c1)CCC2)NCCn1cnc(c1)C(=O)O	PC-id_107496158	305.352	WGHPLKXIKIHRML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064275
OC(=O)CC(c1cccs1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316840500,MCULE-3522662852	305.352	HQQYSHBSHXHBLS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064276
O=C(O)C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1cccs1	ZINC22_917099526	305.352	HQQYSHBSHXHBLS-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-064277
O=C(O)C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1cccs1	ZINC22_917099527	305.352	HQQYSHBSHXHBLS-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064278
OC(=O)CCn1ccc(n1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319741507	305.352	RVOFJVDRYDTWMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064279
OC(=O)Cn1nc(cc1NC(=O)c1sc2c(c1)CCC2)C	MCULE-4534756283,EMOLS-id_320002876	305.352	WZQCSAPGZWLQQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064280
s1c2CCCc2cc1CNc1nc(OC)ccc1[N+](=O)[O-]	PC-id_79882442	305.352	VMMFJPWRLPKONK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-064281
s1c2CCCc2cc1C(=O)Nc1cn(nc1)CC(=O)OC	PC-id_61018655	305.352	JNNYHZUMUBERIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064282
s1c2CCCc2cc1C(=O)NC(Cc1[nH]cnc1)C(=O)O	PC-id_43103254	305.352	NQFZUQPGKWSNNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064283
s1c2CCCc2cc1C(=O)NNC=C(C(=O)OCC)C#N	PC-id_84841662	305.352	ODUWIHIJNDODQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064284
s1c2c(CCC2)c(c1NC(=O)c1c([nH]nc1C)C)C(=O)O	PC-id_43583218	305.352	BDIAUVNCIFKQTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064286
s1c2c(CCC2)c(c1NC(=O)c1c([nH]nc1)C)C(=O)OC	PC-id_64450935	305.352	PPFCHWBCLSQRNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064287
s1c2c(CCC2)c(c1NC(=O)c1c[nH]nc1)C(=O)OCC	PC-id_61259111	305.352	WWFBBELOSHNBEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064288
s1c2c(CCC2)c(c1NC(=O)c1c(n(nc1)C)C)C(=O)O	PC-id_43328013	305.352	PRFPOAFEONIYPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064289
s1c2c(CCC2)c(c1NC(=O)c1[nH]cc(N)c1)C(=O)OC	PC-id_61111541	305.352	XCALWXUJNLUFII-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-064290
s1c2c(CCC2)c(c1NC(=O)c1n(nc(c1)C)C)C(=O)O	PC-id_66128600	305.352	SSEITKAWBOPMSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064291
s1c2c(CCC2)c(c1NC(=O)n1ccnc1)C(=O)OCC	PC-id_81251453	305.352	QDXVMHSVIFWHNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064292
s1c2CCCc2nc1NC(=O)c1c(c([nH]c1C)C(=O)O)C	PC-id_81625392	305.352	ZQGSKXMHLNZGFH-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-064293
s1c2CCCc2nc1NC(=O)CN(C(=O)c1occc1)C	PC-id_33041075	305.352	ZKTLTJPJQLCIQU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064294
s1c2CCCc2nc1NC(=O)C(NC(=O)c1occc1)C	PC-id_46426160	305.352	YVVPKAQVBGHXKH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064295
s1c2CCCc2nc1NC(=O)COC1C(=O)C=C(N=C1)C	PC-id_78153747	305.352	RWQJRAKEHNKFNA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-064296
s1c2CNCc2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_82194084	305.352	IXSPBWBMLROALD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064297
s1c2CN(Cc2nc1N)C(=O)c1cc(OC)cc(OC)c1	PC-id_82194194	305.352	NHTWHIIUEBWWHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064298
s1c2CNCc2nc1NC(=O)c1cc(OC)c(OC)cc1	PC-id_82194089	305.352	LJZJGRHXEHBFCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064299
s1c2CN(Cc2nc1N)C(=O)c1cc(OC)c(OC)cc1	PC-id_82194199	305.352	KHAMZMMNMIDRQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064300
s1c2CNCc2nc1NC(=O)c1c(OC)cccc1OC	PC-id_82194071	305.352	ZLZROGPSEVQSDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064301
s1c2CN(Cc2nc1N)C(=O)c1c(OC)cccc1OC	PC-id_82194182	305.352	DEGSMJVWABHWAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064302
s1c2CNCc2nc1NC(=O)COc1c(OC)cccc1	PC-id_82194058	305.352	YIWBMAYITKROLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064303
S1c2scc([n+]2C(=O)C1=Cc1ccc([N+](=O)[O-])cc1)C	PC-id_377086	305.352	SJEGRZPVNHDFFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064304
S1Cc2c(noc2NC(=O)Nc2ccc(OCC)cc2)C1	PC-id_49719377	305.352	SKOUEJHOZPFKGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064305
S1Cc2c(noc2NC(=O)Nc2c(OCC)cccc2)C1	PC-id_49719386	305.352	WSUZVZSWNOVBRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064306
S1Cc2c(noc2NC(=O)NCc2ccc(OC)cc2)C1	PC-id_49720621	305.352	FHQJIQYJNPNQJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064307
n12ncnc1sc(=Cc1ccc(cc1)c1ccccc1)c2=O	MCULE-6913871884	305.354	OWHFYKPNCHGQKR-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-064308
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccs1	SCHEMBL2924006,PC-id_68442638	305.355	BENAKHCTUBDXIG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064309
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccsc1	SCHEMBL2919696,PC-id_68441035	305.355	LPWMEEOWNXGACU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064310
CC(=O)Nc1nc(C(=O)Nc2c3c(nn2C)CCC3)cs1	ZINC22_517888939,MCULE-7697112178,EMOLS-id_316861558	305.355	NHAUIQGLGWAAMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064311
CC(=O)Nc1scc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319441535	305.355	HLIOSQTWNYJANV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064312
Cn1c(c(cn1)C(=NO)N)NC(=O)c1cc2c(s1)CCC2	PC-id_136285441	305.355	DUCPRKXQOLGZHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064313
O=C(c1noc(n1)C1CCCN1)Nc1sc2c(n1)CCC2	PC-id_104970843	305.355	HGBQRABEHTXBBR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-064314
O=C(C(N1CCn2c1ncc2)C)Nc1sccc1C(=O)N	EMOLS-id_316985245	305.355	JGOUHSRILKGDTA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064315
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)CCc1cccs1	PC-id_68442240,SCHEMBL2923004	305.355	HOYRKYNEXGPDAK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064316
O=C(NCc1nc(C2CC2)no1)Nc1nc2c(s1)CCC2	ZINC22_916671044	305.355	DDIMRSJSBOMQIM-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064317
s1c2CCCc2cc1C(=O)/N=C/1N(N=CC1=C(/NO)N)C	PC-id_79498771	305.355	DXENDLUWSSJWCG-NJAVVXAXSA-N	00000011100000000001000010000000000000000000000000000000	25-01-064318
c1(C(=O)Nc2nnc(C3CCCO3)s2)c2CCCc2[nH]n1	MCULE-1735962383,EMOLS-id_323257778	305.356	ZSNIVRWSMBCSEP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-064319
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)Cc1cccs1	PC-id_58441168,SCHEMBL12307472	305.356	IPNPBRKEVGFTAM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064320
N#Cc1c(NC(=O)C2CCN(C(=O)C2)C)nc2n1CCS2	EMOLS-id_99352948	305.356	AZLFECSYQUZZIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064321
N#Cc1c(NC(=O)CC2CCCC(=O)N2)nc2n1CCS2	EMOLS-id_99310620	305.356	VTBVPESHUDAIBP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064322
NC(=O)NC(c1cccs1)CC(=O)N1CCn2c1ncc2	EMOLS-id_316586432	305.356	NPGVDOSSVZANSC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064323
O=C(Nc1cnnn1C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318987765	305.356	MAHYEYCQXRZABO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064324
O=C(NNC(=O)c1sc2c(c1)CCC2)CCn1ncnc1	MCULE-9921725344,PC-id_45804286,EMOLS-id_30195860	305.356	DKEKASLEGQTRPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064325
CSc1ncnc(c1)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_278147147	305.359	HZACJHMENPWNGH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064326
O=C(NCc1nnc2n1CCC2)Nc1nnc(C2CC2)s1	EMOLS-id_31944253,PC-id_45820943,MCULE-5403874754,ZINC22_43359824	305.359	VNQWVTJYXCQEQM-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064327
s1ncc(OC)c1CNN=C1c2n(N=C1C)c(nn2)CC	PC-id_60031138	305.359	ROVHCDNROPHSQH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-064328
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1CN	EMOLS-id_330997183,MCULE-9471296875	305.366	TXGDLBSLMMDAHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064329
CCOC(=O)C1CCc2c1nc(s2)Cc1ccccc1F	PC-id_104287106	305.367	LNXDVXCNXSDYKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064330
CCOC(=O)C1CCc2c1nc(s2)Cc1cccc(c1)F	PC-id_104287118	305.367	MAQPBKDYTAOLPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064331
CCOC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1)F	PC-id_104287199	305.367	QBRVVPSZVMQODT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064332
Fc1ccc(cc1)C(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_112293364	305.367	QMXIFLVTOJPIRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064333
O=C(c1sc2c(c1)CCC2)NCC(c1ccccc1F)O	PC-id_112292417	305.367	DJISGZZOPQZZRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064334
OC(=O)C1CCc2c1nc(s2)C(c1ccc(cc1)F)(C)C	PC-id_104287327	305.367	OIHWVTWYVYTIGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064335
OC(=O)c1ccc(c(c1)CNCc1sc2c(c1)CCC2)F	PC-id_107452634	305.367	ZAOVISIDXAQDTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064336
OC(=O)c1ccc(cc1F)CNCc1sc2c(c1)CCC2	PC-id_106699808	305.367	YHNXULNKLLPCKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064337
COCn1c2C(=O)[C@@H]([C@H](c2cc1C(=O)OC)C(C)C)CC=C	PC-id_101036641	305.369	CRMBLQTVKUHDMW-BXUZGUMPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064338
O=C(C1=C(Cc2n1ccc2)C(=O)OC(C)(C)C)OC(C)(C)C	PC-id_101036192	305.369	FZGFVDWXLNCYGK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-064339
c1(NC(=O)Cc2ccc(c(C)c2)F)n(C)nc2CSCc12	MCULE-7689808290,EMOLS-id_334564019	305.37	ASRVLTBIQKGTCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064340
c1(NC(=O)CSc2ccc(cc2)F)n(C)nc2CCCc12	MCULE-9262869994,EMOLS-id_24910412,PC-id_30859127,ZINC22_23135689,CoCoCo_5273021	305.37	SLAFQGDQNKITBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064341
CN(c1ccc(c(c1)F)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318502206	305.37	LMIGONDMZJGXLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064342
Fc1ccc(cc1)CCNC(=O)N1Cc2c(C1)nc(s2)C	EMOLS-id_318496955	305.37	RBBRBMNPYRCEHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064343
Fc1ccc(cc1)N(C(=O)NCc1sc2c(n1)CCC2)C	EMOLS-id_318712326	305.37	HMBKHHAUPJZEBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064344
O=C(c1ccc(c(c1)F)N(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318610610	305.37	VFSQKNCYHKJZSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064345
O=C(Cc1ncccc1F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318474572	305.37	AGJAJZLJFFHGNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064346
s1c2CCCc2nc1NC(=O)c1c(NCC)c(F)ccc1	PC-id_62662284	305.37	FCRVEBVIDUVSPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064347
COC(CNC(=O)c1cc2CS(=O)(=O)Cc2s1)OC	PC-id_3581468,CoCoCo_2175350,MCULE-6440849124,EMOLS-id_24385121,ChEMBL-DNDi_CHEMBLC771-0078	305.371	PSZNZANFDAKSKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064348
s1c2c(CCC2)c(c1NS(=O)(=O)CCOC)C(=O)O	PC-id_55009449	305.371	VOMYKCATNUNFQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064349
c12CN(Cc1nn(CC1CCC1)c2C=O)C(=O)OC(C)(C)C	MCULE-6296302884,EMOLS-id_324345960	305.372	BVBGSPFRXAADFD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064350
C1Cc2c(n(c(=O)n2C1)CCCCNCCc1ccco1)O	BindingDB_PC-id_91930431,PC-id_91930431	305.372	IXAVTKLQEVTRQX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064351
c1(C(=O)N2CCC(CC2)C(=O)OCC)c2CCCc2n(C)n1	PC-id_110678743,EMOLS-id_180404737,MCULE-6611602023	305.372	XKDUZAVMCQPNFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064352
c1(C(=O)N2CCCC(C(=O)OCC)C2)c2CCCc2n(C)n1	EMOLS-id_180404740,MCULE-3441955167,PC-id_110678744	305.372	FWUKUMQSNUJVLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064353
c1(C(=O)NCC2CCC(CC2)C(=O)OC)c2CCCc2[nH]n1	EMOLS-id_323260344,MCULE-2457587322	305.372	KHYHTVPJNKKBEI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064354
c1(C(=O)NC[C@H]2CC[C@@H](CC2)C(=O)OC)c2CCCc2[nH]n1	MCULE-8711123388,EMOLS-id_323260088	305.372	KHYHTVPJNKKBEI-XYPYZODXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064355
CC1(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OCCO1	PC-id_71917945,ZINC22_89919721,MCULE-7519543173,EMOLS-id_45672693	305.372	LKMKRPIBMRLBBJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064356
CC1CCCC(N1C(=O)COC(=O)c1n[nH]c2c1CCC2)C	PC-id_145887477,MCULE-1030573052,EMOLS-id_320305654	305.372	FFTIKUGENHFXRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064357
C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1n[nH]c2c1CCC2	ZINC22_919330574	305.372	FFTIKUGENHFXRA-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064358
C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1n[nH]c2c1CCC2	ZINC22_919330575	305.372	FFTIKUGENHFXRA-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064359
C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1n[nH]c2c1CCC2	ZINC22_919330576	305.372	FFTIKUGENHFXRA-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064360
COC(=O)C1CCCCCC1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_48255341,MCULE-8214749629,PC-id_75378652	305.372	BNSVGCONNQEKMD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064361
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	PC-id_97054126,ZINC22_88362793	305.372	BNSVGCONNQEKMD-NEPJUHHUSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064362
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	PC-id_97054127,ZINC22_88362794	305.372	BNSVGCONNQEKMD-RYUDHWBXSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064363
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_88362795,PC-id_97054128	305.372	BNSVGCONNQEKMD-VXGBXAGGSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064364
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_88362796,PC-id_97054129	305.372	BNSVGCONNQEKMD-NWDGAFQWSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064365
O=C(c1nc2n(c1)CCC2)NC(C(=O)O)CC1CCCCC1	EMOLS-id_316921006,MCULE-5431310970	305.372	GVEAXWXNTXFOAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064366
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)OC1COCC1	EMOLS-id_100347177	305.372	QIIHATOAGRIKPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064367
O=C(N[C@H](CC1CCCCC1)C(=O)O)c1cn2c(n1)CCC2	ZINC22_583027215	305.372	GVEAXWXNTXFOAD-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064368
O=C(N[C@@H](CC1CCCCC1)C(=O)O)c1cn2c(n1)CCC2	ZINC22_583027216	305.372	GVEAXWXNTXFOAD-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064369
Cc1ccc(cc1)c1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_319613937	305.374	KVKBMCMDUXGEBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-064370
CC1(CS(=O)(=O)C1)CS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319881377,MCULE-5727000680	305.374	JMVQOEMZWRSCIE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064371
CNS(=O)(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_114176039	305.374	KHIGBFXOWHHCLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064372
N#CC1(CC(C1)NC(=O)c1[nH]c2c(c1)CCC2)c1ccccc1	EMOLS-id_320327752	305.374	ZCBLOLLNOCHZMS-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-064373
OC(=O)C1CCc2c1nc(s2)NCCCS(=O)(=O)N	PC-id_104288158	305.374	YALXMGOAEMQMGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064374
OC(=O)C1CCc2c1nc(s2)NCCNS(=O)(=O)C	PC-id_104287943	305.374	QGIFMOVVRWAFMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064375
S(=O)(=O)(N(CCC(=O)O)C)Nc1sc2CCCc2n1	PC-id_65686336	305.374	HSGCTPGZPREPED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064376
c1(CN2CCOC(C(=O)N3CCCC3)C2)nnc2CCCn12	EMOLS-id_324552265,MCULE-8264975617	305.375	VMHMRLXWEOOYFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064377
c1(CN(C)C(=O)NC2CN(C(=O)C2)CC)c2CCCc2[nH]n1	MCULE-2321799884,EMOLS-id_177440687,PC-id_122565012	305.375	PDZFDMVYRNOKIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064378
CC1OC(CN(C1)C(=O)NCc1nnc2n1CCC2)C1CC1	EMOLS-id_100018418	305.375	ICMFATZNZBRWLR-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-064379
CC(C1C(=O)NCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579247	305.375	CDPGMLQOKXRSKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064380
C=C/C(=N/[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C)/O	ZINC22_328599993	305.375	VIYUCDCUABWDEJ-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064381
C=C/C(=N/[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C)/O	ZINC22_328600045	305.375	VIYUCDCUABWDEJ-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064382
C=CC(=O)NC(C(=O)N(Cc1nnc2n1CCC2)C)C(C)C	EMOLS-id_76049501,MCULE-9194889535	305.375	VIYUCDCUABWDEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064383
CCN1C[C@@H](NC(=O)N(C)Cc2n[nH]c3c2CCC3)CC1=O	ZINC22_534646432	305.375	PDZFDMVYRNOKIQ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-064384
CCN1C[C@H](NC(=O)N(C)Cc2n[nH]c3c2CCC3)CC1=O	ZINC22_534646433	305.375	PDZFDMVYRNOKIQ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064385
CC(NC(=O)[C@H]1CCCN(C1)C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319426600	305.375	GUOGZDOXRFYZIZ-NKUHCKNESA-N	00000010100010000001000010000000000000000000000000000000	25-01-064386
CC(=O)N1CCC(C(=O)N(C)Cc2nnc3n2CCC3)CC1	MCULE-7353784653,ZINC22_42749704,PC-id_53516679,EMOLS-id_35706508	305.375	QDNVYVWTMYLMFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064387
CC(=O)NC(C(=O)NCc1nnc2n1CCC2)C1CCCC1	MCULE-9638949837,PC-id_53519094,EMOLS-id_35694292	305.375	UZRRXRVUXYCGAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064388
CC(=O)N[C@@H](C(=O)NCc1nnc2n1CCC2)C1CCCC1	PC-id_93972457,ZINC22_43793029	305.375	UZRRXRVUXYCGAD-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064389
CC(=O)N[C@H](C(=O)NCc1nnc2n1CCC2)C1CCCC1	ZINC22_43793026,PC-id_93972456	305.375	UZRRXRVUXYCGAD-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064390
CC(=S)C1C(=O)N2C1C(C)C(=C2)OC1C[n+]2n(C1)cnc2	PC-id_144378817	305.375	WSGWKPGXFFVLDI-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-064391
CN1CCN(CC1)C(=O)CN(C(=O)c1cnc2n1CCC2)C	EMOLS-id_320141243,MCULE-4721951704	305.375	LQYNGXBIHGWWGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064392
CN(Cc1nnc2n1CCC2)C(=O)CN1CCCCCC1=O	PC-id_45819271,MCULE-6627578091,EMOLS-id_31936732,ZINC22_44934913	305.375	CXGAKNGLMNBEQD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064393
CN(CC(=O)N1Cc2c(C1)n(nc2CN1CCCC1=O)C)C	PC-id_97413564	305.375	ZXMUAJIAJNQUIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064394
CNC(=O)CN1CCCN(CC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_319105043	305.375	RNUJMVFGRRCXOE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064395
CNC(=O)NC1CCCN(C1)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319430417	305.375	KOSZOIFPYAUJCC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064396
N[C@@H]1CCCCN(CC(=O)NCc2cnc3n2CCC3)C1=O	ZINC22_1875314984	305.375	CWOOCJWICLYLLT-GFCCVEGCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064397
N[C@H]1CCCCN(CC(=O)NCc2cnc3n2CCC3)C1=O	ZINC22_1875314985	305.375	CWOOCJWICLYLLT-LBPRGKRZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064398
NC(=O)C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_111510295	305.375	WTQJLGFDWUKCDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064399
O1CC(CN(C2CC2)C(=O)NCc2n3CCCc3nn2)CC1	EMOLS-id_35718944,MCULE-1268746404,PC-id_53500844	305.375	PTAQRESZQFHGLC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064400
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)CC1CCCO1	EMOLS-id_319213417	305.375	HVLAWRUMVQPWCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064401
O=C([C@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCCC1	ZINC22_1889101429	305.375	VMHMRLXWEOOYFI-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064402
O=C([C@@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCCC1	ZINC22_1889101430	305.375	VMHMRLXWEOOYFI-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064403
O=C(N1CCN(CC1)CCNC(=O)c1n[nH]c2c1CCC2)C	PC-id_78880383	305.375	ACPJANFGAZFBRZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064404
O=C(N1CCN(C(=O)C1)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101420358	305.375	BDXDKCFLNLBLGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064405
O=C(NC1(C)CCOC1C1CC1)NCc1nnc2n1CCC2	EMOLS-id_99307712	305.375	DORUCJDWOAPHDA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064406
O=C(NC1CC(n2c1ncc2)C)NC1CC(=O)N(C1)C(C)C	EMOLS-id_101385112	305.375	SNYTYIRAGIECAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064407
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)CCN1CCCCC1	PC-id_68442387,SCHEMBL2923412	305.375	ZLOGQEYBKURJPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064408
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCNC(=O)C1)C#N	PC-id_2657051	305.375	PLCHHLGKZZGNMZ-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-064409
s1c2CCCc2nc1NS(=O)(=O)c1cc(ccc1)C#N	PC-id_60682845	305.375	HFKXKBCCAGIJJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064410
s1c2CCCc2nc1NS(=O)(=O)c1ccc(cc1)C#N	PC-id_60682846	305.375	QDCDVEHMVMCNDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064411
s1c2CCCc2nc1NS(=O)(=O)c1c(cccc1)C#N	PC-id_60682866	305.375	LAIXBQKEEWWCFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064412
c1(c(C#N)c2CCCc2s1)NC(=O)CSc1cnn[nH]1	MCULE-1832412826,PC-id_71710608,EMOLS-id_49395160,ZINC22_95471369	305.379	VYCNDBQQRAOWAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064413
N#Cc1c(NC(=O)CSc2ncn[nH]2)sc2c1CCC2	CoCoCo_2956962,CoCoCo_2956964,CoCoCo_2956961,EMOLS-id_36721408,PC-id_2241606,CoCoCo_2956963,GD-id_ZINC07603516,ZINC22_7603516,MCULE-6640444570	305.379	NAUPSTDVHYPEEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064414
C1(CC1)C=CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-3578365819	305.392	VOMHHLPHXOPIIK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-064415
Cc1ccc([C@](C)(O)CNC(=O)c2cc3c(s2)CCC3)o1	ZINC22_96459315,PC-id_97596366	305.392	HSVQNIJCUNKYFC-MRXNPFEDSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064416
Cc1ccc([C@@](C)(O)CNC(=O)c2cc3c(s2)CCC3)o1	ZINC22_96459317,PC-id_97596367	305.392	HSVQNIJCUNKYFC-INIZCTEOSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064417
Cc1ccc(o1)C(CNC(=O)c1sc2c(c1)CCC2)(O)C	MCULE-5851546149,PC-id_71975277,EMOLS-id_49097388	305.392	HSVQNIJCUNKYFC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064418
CC(NC(=O)c1sc2c(c1)CCC2)CC(c1ccco1)O	PC-id_112336967	305.392	NBXONTNIKAQGGM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064419
CCOC(=O)c1c(NC(=O)/C=C/C2CC2)sc2CCCc12	EMOLS-id_328180915	305.392	VOMHHLPHXOPIIK-CMDGGOBGSA-N	00100010100000000000000010000000000000000000000000000000	25-01-064420
CCOC(=O)c1c(NC(=O)/C=C/C=C/C)sc2CCCc12	EMOLS-id_327955555	305.392	FGEGZPHORSJPMQ-YBRHCDHNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064421
COC(=O)c1ccc(o1)C(NCc1sc2c(c1)CCC2)C	PC-id_103242961	305.392	NPBYCURONPDDSU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064422
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=CC=CC	MCULE-1489020501	305.392	FGEGZPHORSJPMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064423
O=C1CCCC(C1)C(=O)Nc1sc2c(c1C(=O)C)CCC2	PC-id_142393475	305.392	RZOODIFJMCWXFX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064424
O=C(C1CCCO1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_303336695	305.392	OJXOPQALNQBPGH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-064425
O=C(C1CCOC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170461	305.392	DUOQGAQDFASKOM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-064426
O=C(c1sc2c(c1)CCC2)N1C[C@@H]([C@H](C1)C1CC1)C(=O)O	PC-id_120978198	305.392	DHNXQKKIDNTILD-NEPJUHHUSA-N	00100010100000000000100010000000000000000000000000000000	25-01-064427
O=C([C@@H]1CC=CC[C@@H]1C(=O)O)NCc1sc2c(c1)CCC2	PC-id_104962257	305.392	ANSGVTZAIHBPGK-OLZOCXBDSA-N	00000010100011000000000010000000000000000000000000000000	25-01-064428
O=C([C@H]1CCCO1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101168460	305.392	OJXOPQALNQBPGH-LLVKDONJSA-N	00100010100000000000000010000000000000000000000000000000	25-01-064429
O=C([C@@H]1CCCO1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170419	305.392	OJXOPQALNQBPGH-NSHDSACASA-N	00100010100000000000000010000000000000000000000000000000	25-01-064430
s1c2CCCc2cc1CNCc1oc(c(c1)C(=O)OC)C	PC-id_61206668	305.392	RMJRKPYCQCCXRD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064431
s1c2c(CCC2)cc1C(NCC)c1oc(cc1)C(=O)OC	PC-id_81600637	305.392	VQUXWXYVGKHZGG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064432
s1c2c(CCC2)cc1CNC(=O)C1C(CC=CC1)C(=O)O	PC-id_61207592	305.392	ANSGVTZAIHBPGK-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-064433
s1c2c(CCC2)c(c1NC(=O)CC1=CCCCC1)C(=O)O	PC-id_63562885	305.392	UHEFAOLZGAUVTM-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-064434
s1c(NC(=O)C2C3C2CCCC3)c(c2c1CCC2)C(=O)O	PC-id_81611745	305.392	IMHHQYSSMQAIOS-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-064435
s1c(NC(=O)C2CC3C(C3)C2)c(c2c1CCC2)C(=O)OC	PC-id_80473605	305.392	PWKZTXRTIMRHCI-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-064436
c1(C(=O)NCCc2sc3c(CCC3)n2)cc(on1)C(C)C	EMOLS-id_68915862,ZINC22_257372248,MCULE-4400423275,PC-id_102602848	305.395	MMBOENDTMURDSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064437
c1(C(=O)N(CCO)Cc2ccc(C)s2)c2CCCc2n[nH]1	MCULE-4945647331,ZINC22_426485727,EMOLS-id_82715701,PC-id_119064468	305.395	QYLVGQWHFAUORJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064438
c1(NC(=O)C(=O)NCCC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_4742233,PC-id_8069542,MCULE-1817350612,CoCoCo_6533762,STOCK6S-11761,ZINC22_6754981	305.395	IWHHWXRUEJOTGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064439
CC1CC(c2n1ccn2)NCc1ccc(cc1)S(=O)(=O)C	MCULE-8736781282,EMOLS-id_318287296	305.395	QSVNYRGFJZLNEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064440
CC1CC(c2n1ccn2)NCc1sccc1C1OCCO1	EMOLS-id_318650077,MCULE-7306144115	305.395	NTVVTLYEJHUGTR-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-064441
Cc1ccc(cc1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320553	305.395	PIRXZRUVZWCWRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064442
Cc1ccc(c(c1)C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320559	305.395	REXNCHFGGVWBKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064443
Cc1ccc(c(c1)C)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_317959368	305.395	LFJMABCXOGEPRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064444
Cc1ccc(c(c1)C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318778879	305.395	MUNJDOCGINXLCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064445
Cc1ccc(cc1NCc1cnc2n1CCC2)S(=O)(=O)C	MCULE-8190483902,EMOLS-id_318177127	305.395	PYZOKQOJHXNGGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064446
Cc1ccc(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101320556	305.395	LLNOKWPRJMPDJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064447
Cc1ccc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_317919454	305.395	CDTXRWVQJHDAEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064448
Cc1cccc(c1S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_318574764	305.395	IAOZBCSEVFFGTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064449
Cc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	MCULE-6398708926,EMOLS-id_320299276	305.395	XKBVLXWRCHJJSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064450
Cc1cc(C)c(c(c1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111850151	305.395	MDLPJUWGNCHMBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064451
Cc1cc(C)c(c(c1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_318060652	305.395	MGJAAUQHVCLLMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064452
Cc1cc(C)c(c(c1C)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_316742661	305.395	BHCNJHKWBDYZSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064453
Cc1ccc(S(=O)(=O)Nc2c3c(nn2C)CCC3)cc1C	EMOLS-id_316517743,MCULE-8395230366,ZINC22_270458355	305.395	HZNIVRJUHOCJJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064454
Cc1onc(c1C(C(=O)Nc1sc2c(n1)CCC2)(C)C)C	EMOLS-id_318414823	305.395	OCJUEOMEIFUIKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064455
CCc1cc(ccc1CC)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319916552,MCULE-3878383654	305.395	TUEYDEKXMNOGLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064456
CC(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_316408327,MCULE-9071031614	305.395	XFYWVXLPOPCXCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064457
CC(c1ccccc1S(=O)(=O)N1Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_320214205,MCULE-7527764598	305.395	ROLOZSJTDXKWBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064458
CC(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)(C)C	MCULE-2772698356,EMOLS-id_257821645	305.395	LTENTELGPLGNTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064459
CCc1ccccc1S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_177323396,MCULE-8038412154	305.395	UNNTVZHSZLGIRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064460
CCc1cccc(C)c1NS(=O)(=O)c1cnc2n1CCC2	MCULE-9671875803,ZINC22_547871768,EMOLS-id_316872233	305.395	GYNDSTMFNFGIHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064461
CCc1nc(c(o1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	MCULE-3708636661,EMOLS-id_102183540	305.395	NIGOSXRHVMJKIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064462
CCC(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_316450700,MCULE-4263736347	305.395	UCXXXPVGPZZWPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064463
CCOC(=O)C1CCc2c1nc(s2)N(C1CC1)CCC#N	PC-id_104288233	305.395	ADURYOBVCYCJFH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064464
Cn1nc2c(c1NS(=O)(=O)c1cccc(c1C)C)CCC2	EMOLS-id_318481520	305.395	XSZXJZBLIXPOOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064465
CN(Cc1ccco1)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_177422268,ZINC22_584892609,MCULE-2406945315	305.395	ZBJKYVONVQOMIU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064466
CN(C(=O)NCc1sc2c(n1)CCC2)Cc1ccoc1C	EMOLS-id_318460279	305.395	KTNHYBFHFDOUPR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064467
CN(C(=O)NCc1sc2c(n1)CCC2)Cc1occc1C	EMOLS-id_318431167	305.395	BIYAUTIBFMBQKH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064468
COc1cnc(c(n1)OC)C(c1sc2c(c1)CCC2)NC	PC-id_105030857	305.395	YZNKCZDVBFZBNB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064469
COc1c(sc2c1CCC2)C(=O)NCCCn1ccnc1	PC-id_91956551	305.395	QUXQDFRIUPUAKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064470
N#Cc1c(NC(=O)CCN2CC[C@@H](C2)O)sc2c1CCC2	PC-id_111332506	305.395	SIFBHADIMVSQSZ-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-064471
N#Cc1c(NC(=O)CCN2CCOCC2)sc2c1CCC2	CoCoCo_4466516,MCULE-5639250569,ZINC22_22197692,EMOLS-id_31866610,PC-id_24588596	305.395	KTQINSVIQVOBRM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064472
N#Cc1c(NC(=O)C(N2CCOCC2)C)sc2c1CCC2	EMOLS-id_110846995	305.395	MPNFULZIMJHMTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064473
N#Cc1c(sc2c1CCC2)NC(=O)C1(CN)CCOCC1	PC-id_115439462	305.395	XORCSCFYQMINJF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064474
O=C(C1CN(C(=O)C1)CC1CC1)Nc1sc2c(n1)CCC2	MCULE-9174558748,EMOLS-id_31898932,PC-id_45812153	305.395	RTTQWCYDRUKNOB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064475
O=C(c1ncc(o1)C(C)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318554355	305.395	BVXIIGLENFXWAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064476
O=C(c1noc(c1)C(C)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318519090	305.395	MZBGTEMTGBVALP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064477
O=C(c1occ2c1CCC2)NCc1nnc(s1)C(C)(C)C	EMOLS-id_318708349	305.395	ZARWVDIQYPRKHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064478
O=C(c1onc(c1)C(C)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318452395	305.395	XWZPJQKNJLVORP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064479
O=C(c1sc2c(c1)CCC2)NCc1onc(n1)C(C)(C)C	EMOLS-id_318518160	305.395	RVBQXBVJPCIQPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064480
O=C(Cc1c(C)noc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318657798	305.395	SQWBJGXGCWJCGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064481
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(CC2CC2)C1	CoCoCo_4821113,ZINC22_40508565,PC-id_93612133	305.395	RTTQWCYDRUKNOB-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-064482
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(CC2CC2)C1	ZINC22_40508563,CoCoCo_4821112,PC-id_93612132	305.395	RTTQWCYDRUKNOB-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064483
O=S(=O)(N1CCn2c1ncc2)c1ccccc1C(C)(C)C	EMOLS-id_316726258	305.395	VXAYMLURLLLCQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064484
s1c2CCCc2cc1CNCc1c(OC)ncnc1OC	PC-id_61207966	305.395	MVPOMUGNHFFYDV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064485
s1c2c(CCC2)cc1CNCc1c(=O)n(c(=O)n(c1)C)C	PC-id_61207965	305.395	RTGIPQLBQRXBLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064486
s1c2c(CCC2)cc1CNCc1n(c(=O)n(c(=O)c1)C)C	PC-id_61207242	305.395	YYTGLZOGWYLWRC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064487
s1c2c(CCC2)c(c1NC(=O)C1C(NCC)COC1)C#N	PC-id_66259479	305.395	MXARJWWGMCMUHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064488
s1c2CCCc2c(c1NC(=O)COC1CCNCC1)C#N	PC-id_63876925	305.395	LXBCNPOQHZVALX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064489
s1c2CCCc2nc1NC1C(=O)N(C2CCCC2)C(=O)C1	PC-id_61508859	305.395	BFDZERRDTNAKSE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-064490
s1c2CN(Cc2nc1N)CCCOc1ccc(OC)cc1	PC-id_82194287	305.395	YUYVNTXRNJDFGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064491
c12SCCn1cc(CNC(=O)c1cc(n[nH]1)CC(C)C)n2	EMOLS-id_49639703,ZINC22_97099400,MCULE-2934526194,PC-id_74230475	305.399	XDRPYFQBQGZUCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064492
c12SCCn1cc(CNC(=O)CCn1ccnc1CC)n2	MCULE-1731917274,ZINC22_823557071,EMOLS-id_232882806	305.399	ATKQGMHYWDHCIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064493
c1(CN2CCC(CC2)Oc2sccn2)nnc2CCCn12	MCULE-2012632321,ZINC22_2086875378,EMOLS-id_336485503	305.399	CKBIEYAJVSMUGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064494
c1(C(=O)NCc2cn3c(SCC3)n2)cnn(CCC)c1C	ZINC22_65420066,PC-id_50968138,MCULE-9883497839,EMOLS-id_32406034	305.399	KOMIOTPCWVZSAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064495
c1(NC(=O)c2cnn(CCC)c2C)n(C)nc2CSCc12	EMOLS-id_316244023,MCULE-5708552305,ZINC22_1506411117	305.399	ODSPWBCTGRKLNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064496
CC1(C)CCc2sc(NC(=O)NCCc3cn[nH]c3)nc12	MCULE-2034582571,ZINC22_1650060073,EMOLS-id_316991892	305.399	UNYFQJOUEANJOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064497
Cc1ccsc1CNC(=O)NCCc1nnc2n1CCC2	MCULE-3452240279,ZINC22_89702047,PC-id_71922277,EMOLS-id_45663941	305.399	MQZVYNLQMBACBI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064498
Cc1ccsc1CNC(=O)N(C)Cc1nnc2n1CCC2	PC-id_53520912,MCULE-8580931810,ZINC22_69323685,EMOLS-id_36273575	305.399	GKKCCKLOXGXERK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064499
Cc1csc(n1)C(C(=O)NC(c1nnc2n1CCC2)C)C	EMOLS-id_318673582	305.399	RIHSOQGNECEHLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064500
Cc1nc(C(C)C)sc1C(=O)NCc1nnc2n1CCC2	ZINC22_32059128,PC-id_39296844	305.399	ZZSNXRHFADDLDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064501
Cc1nn(CC(=O)NCc2cn3CCSc3n2)c(C)c1C	MCULE-5900738430,EMOLS-id_49669884,ZINC22_97711616,PC-id_74245288	305.399	QALDVCDCHMETMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064502
CCc1ccc(CNC(=O)NCc2nnc3n2CCC3)s1	EMOLS-id_31982174,ZINC22_48310269,MCULE-7364043146,PC-id_51082387	305.399	PRUYOJZHEMMRMC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064503
CCc1nn(cc1C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_99828472	305.399	XTIQJIJANHVGLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064504
CCc1nn(C)cc1NC(=O)NCc1nc2c(s1)CCC2	MCULE-9327329150,EMOLS-id_316965267,ZINC22_930694405	305.399	RKRPEEXOQFVOCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064505
CC(Cc1nc(sc1NC(=O)N1CCn2c1ncc2)C)C	EMOLS-id_318654084	305.399	JVTADOUFOPCDND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064506
CC(CC(c1[nH]nnn1)NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_318866325	305.399	CKPJVGWGIZVURW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064507
CC(C)(CCc1nn[nH]n1)C(=O)NC1Cc2cscc2C1	ZINC22_2325807046	305.399	WKZCMXIXLHEKCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064508
CCn1nc(c(n1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_318672442	305.399	JYKDAHCBPYDGCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064509
CCNc1nc(c(s1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319354802	305.399	ZJFZZUMHRHNTTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064510
CCNc1nc(c(s1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320090035,MCULE-7991544872	305.399	TVNCRIWPSATDDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064511
CCN(Cc1cccs1)C(=O)NCc1nnc2n1CCC2	ZINC22_58543839,EMOLS-id_36627164,PC-id_52551365,MCULE-4691279198	305.399	TWZDXJYVRLIGOU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064512
Cn1cnnc1C1OCCN(C1)Cc1sc2c(n1)CCC2	EMOLS-id_316057327,MCULE-9755141012	305.399	PQZZMLVASSKWBC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064513
Cn1cnnc1[C@H]1CN(Cc2nc3c(s2)CCC3)CCO1	ZINC22_328639832	305.399	PQZZMLVASSKWBC-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064514
Cn1cnnc1[C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1	ZINC22_328639833	305.399	PQZZMLVASSKWBC-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-064515
CN(C(c1cccs1)CNC(=O)C1NCc2c1c[nH]n2)C	MCULE-9574255532,EMOLS-id_320256245	305.399	WDXKGIVTFGQGQE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064516
CN(C(c1cscn1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319271337	305.399	MPDSATBCJDCJIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064517
CN(C(c1cscn1)C(=O)NCc1nn2c(c1)CCC2)C	EMOLS-id_319336512	305.399	UNRDEEHLIWEJKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064518
CN(C(c1cscn1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319322554	305.399	MPNHCDWATUDWKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064519
CN(Cc1nnc2n1CCC2)C(=O)NCCc1ccsc1	EMOLS-id_35720372,PC-id_53499166,ZINC22_48354615,MCULE-7353091628	305.399	NSGIVAWNRSIAIW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064520
CN(CCn1cnc(n1)NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_318915715	305.399	OBKXGYKVWGCYJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064521
CN(CCn1nccc1C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_320018978,MCULE-6065339966	305.399	CJNZQLNDJPGUKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064522
CN=C(NCc1ccco1)NCCc1cn2c(n1)SCC2	PC-id_120363206	305.399	DWUFLTCHUFNRDT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-064523
n1c2CCCc2sc1CCNC(=O)CCCn1cncn1	PC-id_118782265,ZINC22_299775690,EMOLS-id_68914796,MCULE-7639814201	305.399	MREQZZIEFWULAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064524
N#CC1CCN(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99864833	305.399	QLQDZUSXNYVUHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064525
O1CCC(CC1)c1nnc(s1)NCc1cnc2n1CCC2	MCULE-1747006459,EMOLS-id_318352471	305.399	MXKUCQJNNNQUGC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064526
O=C(c1sc(nc1C)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319853205,MCULE-3868371146	305.399	HQLWOEFRPITVGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064527
O=C(Cc1nc(sc1C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318707322	305.399	HLLKWIPPQFDLLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064528
O=C(Nc1sc2c(n1)C(CC2)(C)C)Nc1nn(c(c1)C)C	EMOLS-id_102005700	305.399	VVGINZYUAHNVGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064529
O=C(N(Cc1cccs1)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318739944	305.399	MMZFDBFQHRDXMP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064530
O=C(N(Cc1nnc2n1CCC2)C)NCc1cscc1C	EMOLS-id_318528945	305.399	PZWWKCBAUCOZHY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064531
O=C(N(Cc1nnc2n1CCC2)C)NC(c1cscc1)C	EMOLS-id_318713216	305.399	UIJRBENGQMOGJN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064532
s1c(CNC(c2n3CCCc3nn2)C)c(NC(=O)C)cc1	PC-id_66384959	305.399	BAKYJYGHYWEVOW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064533
s1c(C(=O)NCc2n3CCCc3nn2)c(nc1CCC)C	PC-id_39296843	305.399	KXEJBOORWXDJGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064534
CCCNC(c1sc2c(c1)CCC2)CCCC(F)(F)F	PC-id_105023961	305.402	QDVKTYWFIHLKCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064535
CN=C(NCc1nnc2n1CCC2)NCc1scc(n1)C	PC-id_119117026	305.402	UZYNPTOTXYBPCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064536
CCNC(c1cccc(c1F)OC)c1sc2c(c1)CCC2	PC-id_105025157	305.41	NWYOAPNOVCKGPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064537
CNC(c1sc2c(c1)CCC2)Cc1cccc(c1F)OC	PC-id_105035411	305.41	AJGOMWZNSRQTGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064538
CNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)OC	PC-id_115829487	305.41	GCBVALBYYRHRSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064539
COc1cccc(c1C(NCc1sc2c(c1)CCC2)C)F	PC-id_115717103	305.41	TXNDIDQWGFYIJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064540
s1c2c(CCC2)cc1CNC(c1cc(F)c(OC)cc1)C	PC-id_61209507	305.41	ZXCOSASYOPRJGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064541
s1c2c(CCC2)cc1CNC(c1cc(OC)c(F)cc1)C	PC-id_82991855	305.41	ZGGZJKVXJYCRIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064542
s1c2c(CCC2)cc1CNC(c1c(F)cc(OC)cc1)C	PC-id_61207222	305.41	ZLKCPKHUGUCEPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064543
s1c2c(CCC2)cc1C(NCC)c1cc(F)c(OC)cc1	PC-id_43493735	305.41	RUKBZJLQQLFTJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064544
s1c2c(CCC2)cc1C(NCC)c1c(F)cc(OC)cc1	PC-id_43561505	305.41	YTYXYIGBUVAMLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064545
s1c2c(CCC2)cc1C(NCC)c1c(OC)ccc(F)c1	PC-id_43492171	305.41	UHJBWVVPGZOXNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064546
CCCCC(CN1C(=O)c2c(C1=O)c(oc2C(C)C)C)CC	SCHEMBL16623380,PC-id_117998385	305.412	WODIYTLTADQANR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064547
CC(CC(=O)CC(c1onc2c1CCC2)C(=O)CC(C)C)C	PC-id_142903015	305.412	UQWKENHXFXRTOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064548
O=C1CC(c2c1n(c(c2)CCC)C(=O)OC(C)(C)C)C(C)C	PC-id_10709733	305.412	WWGPCBIOKLTNCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064549
c12CN(Cc1nn(CC1CCCCC1)c2)C(=O)OC(C)(C)C	EMOLS-id_324339554,MCULE-1250745262	305.415	FTHVXKOUBYXMGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064550
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(CCCC(C)C)C1	EMOLS-id_43212361,PC-id_56881126,MCULE-8584761376	305.415	CKRGIEAOLDKROO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064551
CC1(CCC(OC1)CCNC(=O)c1c2CCCc2nn1C)C	MCULE-7821963899,PC-id_136566836,EMOLS-id_316943823	305.415	RHLVLMIMKSYBPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064552
CCC(C1CCC(CC1)NC(=O)c1cc2n(n1)CCO2)(C)C	EMOLS-id_99512378	305.415	JXHTTWKATNQRQQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064553
CCC(C1(O)CCCCC1)C(=O)NCc1cc2n(n1)CCC2	EMOLS-id_318822365	305.415	VGYLUIGOMOPKCX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064554
CC(C)CCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1	PC-id_95562991,ZINC22_71774893	305.415	CKRGIEAOLDKROO-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064555
CC(C)CCC[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1	PC-id_95562992,ZINC22_71774894	305.415	CKRGIEAOLDKROO-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064556
CC(C(=O)Nc1n(C)nc2c1CCC2)OC1CCCCCC1	EMOLS-id_100020212	305.415	GTIHGBBNHHRCPT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064557
CC(C(=O)NCc1cnc2n1CCC2)OC1CCCCCC1	EMOLS-id_319080687	305.415	CGCNEPSKRIZQHU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064558
CC(C(=O)NCc1n[nH]c2c1CCC2)OC1CCCCCC1	EMOLS-id_319448789	305.415	MDDFYSKPQXKLPU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064559
CCOCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109741	305.415	AIRGGDSSMUOEDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064560
Cn1nc2c(c1C(=O)NCC[C@@H]1CCC(C)(C)CO1)CCC2	ZINC22_887410599	305.415	RHLVLMIMKSYBPO-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064561
COc1ccccc1CNC(=O)c1sc2c(c1)CSC2	PC-id_5086681,CoCoCo_2684266	305.415	BSYXGPNLQPMWLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064562
C[S@](=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	ZINC22_264821060	305.415	XFHGITJVWGSLJL-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064563
C[S@@](=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	ZINC22_264821062	305.415	XFHGITJVWGSLJL-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064564
OC1CCC(CC1)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	MCULE-1574950546,EMOLS-id_320121168	305.415	OPNWXFADMXSNPP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064565
O=C(c1cc2n(n1)CCO2)NC1CCCC(CC1)C(C)(C)C	EMOLS-id_99608404	305.415	RDCLTBJQJMQOFY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064566
O=C(c1cc2n(n1)CCO2)NCC1CCC(CC1)C(C)(C)C	EMOLS-id_99584597	305.415	NWXKLPVJXWANRM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064567
O=C(C1CCC(CC1)C(O)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319795970	305.415	APAYPZLAYDEUBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064568
O=C(c1nn2c(c1)OCC2)NC(CC1CCCCCC1)(C)C	EMOLS-id_99659209	305.415	BEEOBZZFWOZVFL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064569
O=C(c1n[nH]c2c1CCC2)NCC1CCCOC1C(C)(C)C	EMOLS-id_99363220	305.415	REQUOGXARJITPE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064570
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)S(=O)C	EMOLS-id_177216219,MCULE-8449563132	305.415	XFHGITJVWGSLJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064571
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)S(=O)C	EMOLS-id_318540349	305.415	KRDIBIKKMKFMOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064572
O=C(Nc1n(C)nc2c1CCC2)CC1CCOC(C1)C(C)C	EMOLS-id_99230320	305.415	XQCCHOWPHPHFSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064573
OC(=O)C1CCc2c1nc(s2)CSc1ccc(cc1)C	PC-id_104287258	305.415	ZTCFNWPUUOOKBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064574
OC(=O)C1CCc2c1nc(s2)CSc1cccc(c1)C	PC-id_104287259	305.415	HDFJPGKCKNSBLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064575
OC(=O)C1CCc2c1nc(s2)CSc1ccccc1C	PC-id_104287376	305.415	NHHQKPYZGSYYML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064576
s1c2c(CCC2)c(c1N=Cc1sc(cc1)C)C(=O)OC	PC-id_24020440	305.415	JHDOKHCFLWOIKM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064577
S1Cc2c(sc(c2)C(=O)NCc2ccc(OC)cc2)C1	PC-id_4048816	305.415	IVUPGXDSEJHCKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064578
c12CN(Cc1nn(CC1CCCC1)c2C#C)Cc1ccccc1	MCULE-6029484256,EMOLS-id_324359010	305.417	JXJNYVITOVIJJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064579
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1C#N	MCULE-6584784925,EMOLS-id_331005877	305.417	GNTUQPBBTMHTKG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-064580
c1(CN2CCCC(C2)NC(=O)C(C)(C)C)nnc2CCCn12	EMOLS-id_337719747,MCULE-2629960108	305.418	VBPILQKYOOJMDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064581
c1(CN2CCC(CC2)NC(=O)C(C)(C)C)nnc2CCCn12	MCULE-3196909547,ZINC22_2087121135,EMOLS-id_337694458	305.418	MSJUTZRFJUEPCH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064582
c1(CN(C)C(=O)NC2CCCN(CC)C2)c2CCCc2[nH]n1	MCULE-2261286981,EMOLS-id_177404541,PC-id_122561072	305.418	JZFIWIWQRHFRQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064583
c1(CN(C)C(=O)NCC2CCCN(C)C2)c2CCCc2[nH]n1	EMOLS-id_82718233,PC-id_119065439,MCULE-7176867259	305.418	DUVZPNNFPURFDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064584
c1(NC(=O)CSCCCC#N)sc2c(CCC2)c1C#N	MCULE-4768618345,PC-id_82531322	305.418	BNSXRYWAOUZJQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064585
CC1CCCC(C1)CNC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_110758348	305.418	AIAVSGVTBADVLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064586
CC1CCC(CC1)CNC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_110758429	305.418	HKPFQWLALODJRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064587
CC1CCC(C(C1)C)NC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_110932470	305.418	POFMPAMKUXOADM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064588
CC1CCCN(C1)CCNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101386663	305.418	PYZHSVADGAVDFX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064589
CC1CCCN(C1)C(=O)NC(c1nnc2n1CCC2)C(C)C	EMOLS-id_36704618,PC-id_53626540,MCULE-8810486022	305.418	XOJVQFDILDTPCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064590
CC1CCN(CC1)CCNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101385604	305.418	BJJDLVVUAUVXIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064591
CCC1CCCCC1NC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_110758317	305.418	JASLCGRJRXMJII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064592
CCC1CN(CC)CCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572857	305.418	BNDLRFIEGNWNTK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064593
CCCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1	PC-id_71970846,EMOLS-id_49107738,ZINC22_96467243,MCULE-4250560992	305.418	ZIQLKNHWBNHHPM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064594
CC(C(c1nnc2n1CCC2)NC(=O)N(C(C1CC1)C)C)C	EMOLS-id_45648300,PC-id_71932226,MCULE-4550824997	305.418	MYQOHWABJNFUSH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064595
CC(C(c1nnc2n1CCC2)NC(=O)N(CC1CCC1)C)C	MCULE-1033966582,PC-id_71876585,EMOLS-id_45760454	305.418	HKIUTIJEULSYPK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064596
CC(C)CC1(CNC(=O)NCc2nnc3n2CCC3)CCC1	MCULE-3882475097,EMOLS-id_45766700,ZINC22_89821095,PC-id_71855130	305.418	VCUBJFZZAKPAFR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064597
CCCCC(C1CCC1)NC(=O)NCc1nnc2n1CCC2	PC-id_71971749,EMOLS-id_49105450,MCULE-8423992825	305.418	SHDWCKASNWPOKK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064598
CCC(CC)c1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324857570	305.418	XENHIZVFVDIIHA-XFFZJAGNSA-N	00000000100100000001000010000000000000000000000000000000	25-01-064599
CCCC[C@H](NC(=O)NCc1nnc2n1CCC2)C1CCC1	ZINC22_96461911,PC-id_97597859	305.418	SHDWCKASNWPOKK-ZDUSSCGKSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064600
CCCC[C@@H](NC(=O)NCc1nnc2n1CCC2)C1CCC1	ZINC22_96461912,PC-id_97597860	305.418	SHDWCKASNWPOKK-CYBMUJFWSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064601
CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2nnc3n2CCC3)C1	ZINC22_2298172463	305.418	VBPILQKYOOJMDV-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064602
CC(C)(C)C(=O)N[C@H]1CCCN(Cc2nnc3n2CCC3)C1	ZINC22_2298172464	305.418	VBPILQKYOOJMDV-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064603
CC(C)[C@@H](NC(=O)N1CCC[C@H](C)C1)c1nnc2n1CCC2	PC-id_95353683,ZINC22_70039140	305.418	XOJVQFDILDTPCQ-GXTWGEPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064604
CC(C)[C@H](NC(=O)N1CCC[C@@H](C)C1)c1nnc2n1CCC2	PC-id_95353684,ZINC22_70039143	305.418	XOJVQFDILDTPCQ-OCCSQVGLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064605
CC(C)[C@@H](NC(=O)N1CCC[C@@H](C)C1)c1nnc2n1CCC2	ZINC22_70039138,PC-id_95353682	305.418	XOJVQFDILDTPCQ-TZMCWYRMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064606
CC(C)[C@H](NC(=O)N1CCC[C@H](C)C1)c1nnc2n1CCC2	ZINC22_70039144,PC-id_95353685	305.418	XOJVQFDILDTPCQ-JSGCOSHPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064607
CC(C)[C@H](NC(=O)NC1CCCCC1)c1nnc2n1CCC2	ZINC22_70038208,PC-id_95353358	305.418	WCZYKGVFYSBIOA-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064608
CC(C)[C@@H](NC(=O)NC1CCCCC1)c1nnc2n1CCC2	ZINC22_70038209,PC-id_95353359	305.418	WCZYKGVFYSBIOA-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064609
CC(C)[C@H](NC(=O)N(C)CC1CCC1)c1nnc2n1CCC2	PC-id_97079307,ZINC22_89801890	305.418	HKIUTIJEULSYPK-AWEZNQCLSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064610
CC(C)[C@@H](NC(=O)N(C)CC1CCC1)c1nnc2n1CCC2	ZINC22_89801891,PC-id_97079308	305.418	HKIUTIJEULSYPK-CQSZACIVSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064611
CC(C)[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1nnc2n1CCC2	PC-id_97079306,ZINC22_89801888	305.418	MYQOHWABJNFUSH-BXUZGUMPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064612
CC(C)[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1nnc2n1CCC2	ZINC22_89801883,PC-id_97079303	305.418	MYQOHWABJNFUSH-FZMZJTMJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064613
CC(C)[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)c1nnc2n1CCC2	ZINC22_89801885,PC-id_97079304	305.418	MYQOHWABJNFUSH-SMDDNHRTSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064614
CC(C)[C@H](NC(=O)N(C)[C@H](C)C1CC1)c1nnc2n1CCC2	ZINC22_89801886,PC-id_97079305	305.418	MYQOHWABJNFUSH-RISCZKNCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064615
CCC(C(N(C(=O)NCc1nnc2n1CCC2)C1CC1)C)C	PC-id_71983324,MCULE-2019658124,EMOLS-id_49081163	305.418	FZDLMVWYPUAGCS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064616
CC[C@@H](C)[C@@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1	PC-id_96569955,ZINC22_81672860	305.418	FZDLMVWYPUAGCS-VXGBXAGGSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064617
CC[C@H](C)[C@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1	PC-id_96569958,ZINC22_81672871	305.418	FZDLMVWYPUAGCS-RYUDHWBXSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064618
CC[C@H](C)[C@@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1	ZINC22_81672864,PC-id_96569956	305.418	FZDLMVWYPUAGCS-NWDGAFQWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064619
CC[C@@H](C)[C@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1	ZINC22_81672868,PC-id_96569957	305.418	FZDLMVWYPUAGCS-NEPJUHHUSA-N	00100010100000000001000010000000000000000000000000000000	25-01-064620
CCCN1CCN(CC1)C(=O)c1cc2C[C@@H](Cn2n1)N(C)C	EMOLS-id_316326712,MCULE-3294098633	305.418	WTILSIMNIFUIPT-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064621
CCCN1CCN(CC1)C(=O)c1nn2c(c1)CC(C2)N(C)C	MCULE-3733386388	305.418	WTILSIMNIFUIPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064622
CCC(N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101572833	305.418	ACOCRMPZUORVCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064623
CC(CN1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101581074	305.418	RACDKJOBMXJDFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064624
CCN1CCCCC1CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101390530	305.418	LBIDMXHAWVOADQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064625
CCN1CCC[C@@H](NC(=O)N(C)Cc2n[nH]c3c2CCC3)C1	ZINC22_534629939	305.418	JZFIWIWQRHFRQV-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064626
CCN1CCC[C@H](NC(=O)N(C)Cc2n[nH]c3c2CCC3)C1	ZINC22_534629940	305.418	JZFIWIWQRHFRQV-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064627
CCN1CC(C)N(CC1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418840	305.418	ZRDSKWWNGCZIFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064628
CC(N1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579355	305.418	XPXBRTLQMINLCK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064629
CCN1CCN(CC1)C(CNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98396879	305.418	PRMQASVQZXEQNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064630
CC(NC(=O)NC1CC(n2c1ncc2)C)CN1CCCCC1	EMOLS-id_101376334	305.418	PMFTUBKZIFYSIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064631
CN1CCC(CC1)CCNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101381476	305.418	DJXYMGRNVJSAPN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064632
CN1CCC(CC1)(C)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101576979	305.418	QAZJHEKMDUGPCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064633
CN1CCC[C@H](CNC(=O)N(C)Cc2n[nH]c3c2CCC3)C1	ZINC22_426496630	305.418	DUVZPNNFPURFDR-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064634
CN1CCC[C@@H](CNC(=O)N(C)Cc2n[nH]c3c2CCC3)C1	ZINC22_426496631	305.418	DUVZPNNFPURFDR-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064635
CN(Cc1nnc2n1CCC2)C(=O)NC1CCCCCCC1	ZINC22_1775988383,EMOLS-id_316860215,MCULE-3916135210	305.418	JRUKXKFCNMTQAZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-064636
CN(CC(=O)N1Cc2c(C1)n(nc2CN1CCCCC1)C)C	PC-id_97413576	305.418	RNABLBBEWDLKFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064637
n12c(=O)c(=Cc3ccsc3)sc1nc(C(CC)CC)n2	MCULE-5369524836	305.418	XENHIZVFVDIIHA-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-064638
NCC1(CCCCC1)CC(=O)NC(c1nnc2n1CCC2)C	MCULE-7352909619,PC-id_120361559,EMOLS-id_302767129	305.418	PETPGDVFYJXUBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064639
NCC(C1CCCCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101899726	305.418	ZMIKIPFJYMRJLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064640
NC[C@@H]1CC[C@H](CC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101899708	305.418	PNHCBXXMVROIEE-AEBJDNRDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064641
OC1CCCC1N1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_320043721,MCULE-6086491065	305.418	RISKVBRRVHZBPX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064642
O=C(c1cnc(s1)C1CC1)NCc1sc2c(n1)CCC2	EMOLS-id_318573998	305.418	MPUWXVVREJCKGC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064643
O=C(c1csc(n1)C1CC1)NCc1sc2c(n1)CCC2	EMOLS-id_318448993	305.418	NHTCEAHVMRCSMO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064644
O=C(c1sc2c(c1)CCC2)NCc1nnc(s1)C1CC1	EMOLS-id_318440381	305.418	GXOWLWNOCWWNRN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064645
O=C(c1scc(n1)C1CC1)NCc1sc2c(n1)CCC2	EMOLS-id_318442627	305.418	BBDYFOGFLMOEKA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064646
O=C(C(CC1CCCCC1)N)NC(c1nnc2n1CCC2)C	EMOLS-id_302725169,PC-id_121681656,MCULE-4907731297	305.418	VPCZIOGBDQBHAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064647
O=C(N1C(CCCC1)C)NC(c1n2CCCc2nn1)C(C)C	PC-id_60273956	305.418	FSGCDUBPXUULSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064648
O=C(N1CCC(CC1)C)NC(c1n2CCCc2nn1)C(C)C	PC-id_60276671	305.418	HDIRRIXRMGIJPX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064649
O=C(NC1CCCCC1)NC(c1n2CCCc2nn1)C(C)C	MCULE-3440355109,EMOLS-id_36704600,PC-id_53626327	305.418	WCZYKGVFYSBIOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064650
O=C(NC1CC(n2c1ncc2)C)NC1CCCC(C1)N(C)C	EMOLS-id_101382844	305.418	LLIWLFDEBDXRGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064651
s1c2c(CCC2)c(c1NC(=O)CCC(CCN)CC)C#N	PC-id_64345056	305.438	LZFGDINENMGKBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064695
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCC1)N(C)C	EMOLS-id_101374948	305.418	VZNVIVYITWKWPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064652
O=C(N(C1CCN(C1)C(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101572809	305.418	PHSCQMBETRPVTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064653
O=C(N(CC1(CCC1)N(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101420466	305.418	FNSVLTSCJUGIOP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-064654
O=C(NC(c1nnc2n1CCC2)C)CC(C1CCCNC1)C	MCULE-3080148541,EMOLS-id_302755850,PC-id_119841173	305.418	QQEPQJXDJOPJSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064655
O=C(NC(c1nnc2n1CCC2)C)NC1CCCC(C1C)C	EMOLS-id_110758792	305.418	FKSGWMIMPMVTQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064656
O=C(NC(c1nnc2n1CCC2)C)NC1CCC(CC1)(C)C	EMOLS-id_111238856	305.418	XSPIWCKRDFIMCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064657
O=C(NC(c1nnc2n1CCC2)C)NCC1CCCCC1C	EMOLS-id_110758344	305.418	GQRPAVBYQNYHFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064658
O=C(NCC(c1nc2n(n1)N=C(C2)C)C)C(CCCC)CC	PC-id_57604303	305.418	UQLPXYXSTXUHAI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-064659
O=C(NC(CN1CCCC1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101572806	305.418	RKHKGIUCDQPDBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064660
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C#N	PC-id_51600524	305.418	IQBDGZHBPLZUOT-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-064661
s1c2CCCc2nc1Nc1c(ccc(OC)c1)C(=S)N	PC-id_81306840	305.418	PJROCIYIQALVCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064662
s1c2c(nc1NC(=O)C(Sc1ccccc1)C)CNC2	PC-id_82194129	305.418	LDFLCIQRZBONJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064663
s1c2CNCc2nc1NC(=O)CCSc1ccccc1	PC-id_82194130	305.418	FAIQQYOWQYVUIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064664
s1c2CN(Cc2nc1N)C(=O)CCSc1ccccc1	PC-id_82194241	305.418	YRYCNLDFAZTKTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064665
s1c2CNCc2nc1NC(=O)CSc1ccc(cc1)C	PC-id_82194128	305.418	KECZBEQTBFEDHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064666
s1c2CN(Cc2nc1N)C(=O)CSc1ccc(cc1)C	PC-id_82194239	305.418	DZAODLLKXOWZCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064667
s1c2CN(Cc2nc1N)C(=O)C(Sc1ccccc1)C	PC-id_82194240	305.418	DUDRORAUAFVELR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064668
CCN1CCCC1CNC(=NC)NCc1nnc2n1CCC2	PC-id_111020333	305.422	NOLGONBSUWTYLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064669
CN=C(NCc1nnc2n1CCC2)NCCN1CCCCC1	PC-id_111020543	305.422	CDWDSGRBNUZAMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064670
s1c2CCCc2nc1Nc1nnc(c(c1C(=S)N)C)C	PC-id_61511682	305.422	JVHZPWWHTNWFIO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064671
CCCNC(c1sc2c(c1)CCC2)c1ccc(o1)COC	PC-id_116007912	305.435	HQPPWANDJPJJOQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-064672
s1c2c(CCC2)cc1C(=O)N1C(CCCCC1)CC(=O)C	PC-id_79541427	305.435	ZWCYDTKAGOIAOY-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-064673
c1(C(=O)NC2CC2)c2CSCc2nn1CC1CCCCC1	EMOLS-id_324400976,MCULE-6580014279	305.438	IVSPXCGFZOZGLS-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-064674
c1(NC(=O)CCN(C)CCCC)sc2c(CCC2)c1C#N	EMOLS-id_182635424,MCULE-4270204926	305.438	PZBTUPUJQQGOIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064675
CCCn1ncc(c1C(c1sc2c(c1)CCC2)NC)OC	PC-id_105048693	305.438	YXWBRZQRRSLFFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064676
CCCNC(c1c(OC)cnn1C)c1sc2c(c1)CCC2	PC-id_105046999	305.438	IMLAZTDXPKWRCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064677
C[C@H](NC[C@](C)(O)c1cnn(C)c1)c1cc2c(s1)CCC2	PC-id_99716135,ZINC22_162402222	305.438	PRYWICBODSZFBG-ZBEGNZNMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064678
C[C@H](NC[C@@](C)(O)c1cnn(C)c1)c1cc2c(s1)CCC2	PC-id_99716137,ZINC22_162402461	305.438	PRYWICBODSZFBG-MEDUHNTESA-N	00000010100000000001000010000000000000000000000000000000	25-01-064679
C[C@@H](NC[C@@](C)(O)c1cnn(C)c1)c1cc2c(s1)CCC2	PC-id_99716139,ZINC22_162402593	305.438	PRYWICBODSZFBG-BDJLRTHQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064680
C[C@@H](NC[C@](C)(O)c1cnn(C)c1)c1cc2c(s1)CCC2	ZINC22_162402343,PC-id_99716136	305.438	PRYWICBODSZFBG-BZNIZROVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064681
CCNC(c1c(OC)cnn1CC)c1sc2c(c1)CCC2	PC-id_105048036	305.438	NYZMRZKBVOFWAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064682
Cn1ncc(c1)C(CNC(c1sc2c(c1)CCC2)C)(O)C	PC-id_102553150,MCULE-8765060997,EMOLS-id_50336555	305.438	PRYWICBODSZFBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064683
CN(C)CCCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-4708295145,EMOLS-id_328146320	305.438	UREGKONIYMPONX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064684
COc1cnn(c1C(c1sc2c(c1)CCC2)NC)C(C)C	PC-id_105048093	305.438	OZVLMYFBZVMKFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064685
n1c2CCCc2sc1CN1CCC(CC1)C(=O)NC1CC1	EMOLS-id_336485500,MCULE-3880985919,ZINC22_2086875544	305.438	ZXSGKDMLQACRBX-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-064686
N#Cc1c(NC(=O)CC(CC(C)(C)C)N)sc2c1CCC2	PC-id_116275256	305.438	LLNGEECJOMZMIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064687
NCC(C(=O)Nc1sc2c(c1C#N)CCC2)CC(C)(C)C	PC-id_107471868	305.438	VREKOBBSWICAHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064688
O=C(C1CC1)N1CCC(CC1)NCc1sc2c(n1)CCC2	EMOLS-id_318110221,MCULE-1221793811	305.438	UGWDMGJSWZUYIT-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-064689
O=C(C1CCCC1)N1CCC(C1)Nc1sc2c(n1)CCC2	MCULE-7396121533,EMOLS-id_318546529	305.438	IGYJMSIBTWPSHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064690
O=C(c1sc2c(c1)CCC2)N1CCC(C1)N1CCNCC1	PC-id_121615184,EMOLS-id_302743818,MCULE-1992626948	305.438	ZBYKBWFGMJBHPD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064691
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)C1CCNC1	PC-id_121623041,EMOLS-id_302696959,MCULE-3626638871	305.438	ZHAIFAVKMOEESP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064692
O=C(N(CC[NH+]1CCCCCC1)CC)c1n[nH]c2c1CCC2	PC-id_52399221	305.438	LCQADUVYLPECGN-UHFFFAOYSA-O	00000010100000000101000010000000000000000000000000000000	25-01-064693
s1c2c(CCC2)c(c1NC(=O)CC(CC(C)C)CN)C#N	PC-id_65502089	305.438	AEVVUJJMTQADSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064694
s1c2c(CCC2)c(c1NC(=O)CCC(CCN)(C)C)C#N	PC-id_65292314	305.438	VUYUYLKORXHULO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064696
s1c2c(CCC2)c(c1NC(=O)C(CCCC(N)C)C)C#N	PC-id_65292361	305.438	JLAJXSPGDYFQHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064697
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(C)C)CN)C#N	PC-id_65502288	305.438	AEVVUJJMTQADSW-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-064698
CCOC(=O)CCCN1C(S)Sc2c1nsc2N	PC-id_143257976	305.44	XMBHZDBONRTVBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064699
S(=O)(=O)(Nc1sc2CCCc2n1)C(CC)C(=S)N	PC-id_65567273	305.44	DKIMHOVZQVEENS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064700
CC1CC(c2n1ncn2)NCCc1csc(n1)C(C)(C)C	MCULE-8117248193,EMOLS-id_279084248	305.442	ISBOPAMSGQHGCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064701
CC1CC(c2n1ncn2)NCCc1scc(n1)C(C)(C)C	EMOLS-id_318703184,MCULE-4558558471	305.442	MMFSLTNOUIDTNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064702
CC(c1nnc2n1CCC2)NCc1cnc(s1)C(C)(C)C	EMOLS-id_318279359,MCULE-6818435337,PC-id_61686770	305.442	RGOVCFMLRVPLKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064703
CC(c1nnc2n1CCC2)NCc1csc(n1)C(C)(C)C	PC-id_115592102,EMOLS-id_318258354,MCULE-7268884722	305.442	ZQUFFGQUCKUBQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064704
CC(c1nnc2n1CCC2)NCc1ncc(s1)C(C)(C)C	EMOLS-id_318308403,MCULE-4744941439	305.442	ASGNCVNKLVHFCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064705
CC(c1scc(n1)C(C)(C)C)NC1CC(n2c1ncn2)C	MCULE-5419096302,EMOLS-id_318452154	305.442	ISNSKRYIYMGKJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064706
CCC(CC)c1nnc(NCc2c3c(nn2C)CCC3)s1	ZINC22_902040790,MCULE-5007429470,EMOLS-id_316934654	305.442	CTZJGLYKQLCBBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064707
NNC(c1sc2c(c1)CCC2)Cc1ncnn1CC(C)C	PC-id_105317667	305.442	OYKZCQWOKWMSOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064708
Cc1cc(C)c(c(c1)C)[S@](=O)N[C@@H]1CCc2c1ccs2	PC-id_139183481	305.458	DRXLPRBEVKTPJP-VLIAUNLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064709
CC(c1nn2c(c1)CCC2)NCC1CCCOC1C(C)(C)C	MCULE-9211920194,EMOLS-id_318306565	305.458	XOPMKRDTMOHOLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064710
CC(c1nn2c(c1)CCC2)N[C@@H]1C[C@@H](C1(C)C)OC(C)(C)C	MCULE-9868796770,EMOLS-id_320130129	305.458	CCQUFGNKXPNMPC-AGIABQAESA-N	00001010100000000001000010000000000000000000000000000000	25-01-064711
CN(CCCn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N)C	SCHEMBL11331739,PC-id_12894323	305.458	UFRJWOXCPMXYAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064712
O=C(c1sc2c(c1)CCC2)Cc1scc(n1)C(C)(C)C	PC-id_115787075	305.458	PSMDWTRTTRAYMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064713
s1c2CCCc2cc1C(=O)NC(C(C)C)c1sccc1	PC-id_78633088	305.458	MACGEUTTZJNGRT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064714
s1c2CCCc2cc1C(=O)N[C@@H](C(C)C)c1sccc1	PC-id_8209479	305.458	MACGEUTTZJNGRT-HNNXBMFYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064715
s1c2CCCc2cc1C(=O)N[C@H](C(C)C)c1sccc1	PC-id_8209484	305.458	MACGEUTTZJNGRT-OAHLLOKOSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064716
S(=O)(N[C@H]1c2ccsc2CC1)c1c(cc(cc1C)C)C	CT-id_7109852	305.458	DRXLPRBEVKTPJP-QMRFKDRMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064717
c1csc(n1)C1(CCCC1)NCc1sc2c(n1)CCC2	MCULE-3959325477,EMOLS-id_318207336	305.461	UWIBQFLKVQJDPS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-064718
c1csc(n1)N1CCC(CC1)NC1CCc2c1scc2	EMOLS-id_318572410,MCULE-5973358234	305.461	UORCIRROOANXQL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064719
CC(Sc1cc(nc(c1)C)Nc1sc2c(n1)CCC2)C	PC-id_144988074	305.461	FLSGIYBCSWCXLI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064720
C1CCC(CN1)C1CCCN(C1)Cc1sc2c(n1)CCC2	EMOLS-id_318107707,MCULE-9393416713	305.481	BKZNNZLHYLIWPV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064721
C1CCC(CN1)C1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318028969,MCULE-1295451796	305.481	UVBZGHHAJSMKSO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-064722
CCCC(CC(C(C)C)CCCCn1nnc2c1CCC2)C	SCHEMBL18053966	305.501	XGGAITSAFQQVOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064723
CCCNC(c1sc2c(c1)CCC2)CCc1cccs1	PC-id_115860827	305.501	VYWWJCWDQHEWLB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064724
CCCNC(c1sc2c(c1)CCC2)CCc1ccsc1	PC-id_115856897	305.501	GAMOBDQCMMSHEI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064725
CCNC(c1sc2c(c1)CCC2)Cc1ccc(s1)CC	PC-id_115842734	305.501	UPSYJLUIIBSUDL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064726
s1c2c(CCC2)cc1C(NC)c1sc(C(C)(C)C)cc1	PC-id_81633711	305.501	MBXAMUNVJRQCHW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064727
s1c2c(CCC2)cc1CNCc1sc(C(C)(C)C)cc1	PC-id_81642460	305.501	RCLLJTUHERGFDW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064728
s1c2c(CCC2)cc1C(NCCC)c1c(sc(c1)C)C	PC-id_43496826	305.501	RGAGKLGZJUYQCC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064729
s1c2c(CCC2)cc1C(NCCC)c1sc(cc1)CC	PC-id_43494292	305.501	MZRWHCXSLATSTA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064730
s1c2c(CCC2)cc1C(NCCC)c1sc(cc1C)C	PC-id_81155638	305.501	HYTBRYLDXBBZFS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-064731
CC(C1CCC(CC1)CNCc1sc2c(c1)CCC2)(C)C	PC-id_104574987	305.521	XWIRCBLJDTZWLQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064732
CCCNC(C1CCCCC1CC)c1sc2c(c1)CCC2	PC-id_115862567	305.521	SXMBXHSHIPGVSB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064733
CCCNC(c1sc2c(c1)CCC2)C1CCC(C(C1)C)C	PC-id_104989254	305.521	YOQNODHBTIJDOB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064734
CCCNC(c1sc2c(c1)CCC2)C1CCC(CC1)CC	PC-id_104990833	305.521	FMQVJQXSMAHSHA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064735
CCCNC(c1sc2c(c1)CCC2)C1CCCC(C1)CC	PC-id_104992346	305.521	DSZCEHUZFNQWQR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064736
CCCNC(c1sc2c(c1)CCC2)C1CC(C)CC(C1)C	PC-id_104988748	305.521	SDOOFQHDWSSMBK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064737
s1c(CNC2CCC(C(CC)(C)C)CC2)cc2c1CCC2	PC-id_63452413	305.521	FJFPLFXHPWSGNN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064738
s1c(CNC2CCC(C(C)(C)C)CCC2)cc2c1CCC2	PC-id_65089976	305.521	PBHOQARJFPDDLJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-064739
CCc1cc2n(c1C(=O)c1occc1Cl)CC=C2C(=O)O	SCHEMBL11659730,PC-id_70628764	305.713	JBLKXDGDWCHUBV-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-064740
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)Cl)C	MCULE-3710290627,STOCK6S-67237,PC-id_135649900,EMOLS-id_24575727	305.72	IVVHOIJBKTUIGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064741
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1Cl)C	PC-id_135635972,STOCK6S-50111,EMOLS-id_17104925,MCULE-3108192125	305.72	KGHZNTGZXYGARS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064742
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1Cl)C	PC-id_135635995,STOCK6S-53097,EMOLS-id_17109346,MCULE-6346297411	305.72	HXIMZGUMLUBXGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064743
c12ncnn1C(C(=O)N2)CC(=O)Nc1c(C)ccc(Cl)c1	STOCK6S-47349,PC-id_135635951,EMOLS-id_17100921,MCULE-2454156657	305.72	ZKYZQJSBUSLLBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064744
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1C	SPECS-id_AN-153/NB21574,PC-id_135649896,EMOLS-id_24575953,STOCK6S-67412,MCULE-9780396211	305.72	MVANKMBRHFKNLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064745
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)C	STOCK6S-52358,PC-id_135635991,MCULE-7848287633,EMOLS-id_17108288	305.72	OJPZPDNDPMAMQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064746
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1)C	STOCK6S-55299,PC-id_135636006,MCULE-2124511721,EMOLS-id_17112597	305.72	HJRKSJXSRPFRFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064747
Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_135924992,ZINC22_13691137	305.72	ZKYZQJSBUSLLBQ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064748
Cc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_13691138,PC-id_135924993	305.72	ZKYZQJSBUSLLBQ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-064749
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1Cl	PC-id_135904041,ZINC22_13725578	305.72	OJPZPDNDPMAMQY-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-064750
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1Cl	ZINC22_13725574,PC-id_135904040	305.72	OJPZPDNDPMAMQY-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064751
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)c(Cl)c1	ZINC22_13718818,PC-id_135897620	305.72	KGHZNTGZXYGARS-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064752
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)c(Cl)c1	ZINC22_13718820,PC-id_135897621	305.72	KGHZNTGZXYGARS-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-064753
Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	ZINC22_20719652,PC-id_135901864	305.72	MVANKMBRHFKNLM-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064754
Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_20719656,PC-id_135901865	305.72	MVANKMBRHFKNLM-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-064755
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1Cl)C(=O)N2	PC-id_135904083,ZINC22_13727876	305.72	HXIMZGUMLUBXGJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064756
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)N2	PC-id_135904084,ZINC22_13727878	305.72	HXIMZGUMLUBXGJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-064757
Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2	PC-id_135904187,ZINC22_13734537	305.72	HJRKSJXSRPFRFB-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064758
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2	PC-id_135904188,ZINC22_13734540	305.72	HJRKSJXSRPFRFB-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-064759
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2	PC-id_135901836,ZINC22_20719064	305.72	IVVHOIJBKTUIGO-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-064760
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2	ZINC22_20719060,PC-id_135901835	305.72	IVVHOIJBKTUIGO-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064761
CCOC1=Nn2c(nnc2C1=Nc1cc(c(cc1)O)Cl)C	PC-id_136089208	305.72	HCUHEPIOEIDWKB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-064762
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(nc1)Cl	PC-id_9836133,SCHEMBL2917391	305.72	XHEHJCRLSMIDRV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064763
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2916879,PC-id_68440095	305.72	OWKXJNBPFLUMIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064764
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2919723,PC-id_68441042	305.72	ACKNLNWKPHWEEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064765
Clc1c(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)N)cccc1	PC-id_68439855,SCHEMBL2916145	305.72	NQLKJMUOVGZFHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064766
Clc1cc(/C=C/2CCc3[nH]c(cc23)C(=O)OC)ccc1F	PC-id_67269034,SCHEMBL2074468	305.731	OISAMIFGRIRSCK-UXBLZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064767
Clc1cc(C=C2CCc3[nH]c(cc23)C(=O)OC)ccc1F	PC-id_67269036	305.731	OISAMIFGRIRSCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064768
Clc1cc(/C=C/CCc3[nH]c(cc23)C(=O)OC)ccc1F	SCHEMBL2074466,PC-id_67269032	305.731	OISAMIFGRIRSCK-POHAHGRESA-N	00000010100000110000000010000000000000000000000000000000	25-01-064769
Clc1cc(C=C2CCc3[nH]c(cc23)C(=O)OC)cc(F)c1	PC-id_66873714	305.731	PDBLDOAWBXDVDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064770
Clc1cc(/C=C/CCc3[nH]c(cc23)C(=O)OC)cc(F)c1	SCHEMBL1004724,PC-id_66873711	305.731	PDBLDOAWBXDVDU-WMZJFQQLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064771
Clc1cc(/C=C/2CCc3[nH]c(cc23)C(=O)OC)cc(F)c1	SCHEMBL1004726,PC-id_66873713	305.731	PDBLDOAWBXDVDU-ONNFQVAWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064772
Clc1nc2S(=O)(=O)CCn2c1C(=O)N1CCOCC1	PC-id_76316615	305.738	AZXXRGHQJCQXKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064773
c1(C(=O)Nc2cc(C)c(cc2OC)Cl)c2CCCc2[nH]n1	MCULE-8542332300,PC-id_110388961,EMOLS-id_179744952	305.759	NMAAQJLKLQTEAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064774
c1(C(=O)Nc2cc(C)c(cc2OC)Cl)cn2c(CCC2)n1	EMOLS-id_321296094,MCULE-8063299105	305.759	JOCHPWGWWRPCMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064775
c1(C(=O)Nc2ccc(c(Cl)c2)OC)c2CCCc2n(C)n1	MCULE-5093218610,PC-id_110389091,EMOLS-id_179745337	305.759	JGSUCXWPYYQUDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064776
c1(C(=O)Nc2c(OC)ccc(Cl)c2)c2CCCc2n(C)n1	EMOLS-id_179745340,MCULE-8570429543,PC-id_110389092	305.759	LIJBGIXGTCDWTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064777
c1(C(=O)NCc2ccc(cc2)Cl)cc2n(C[C@@H](OC)C2)n1	MCULE-1174597306,EMOLS-id_316334943	305.759	VOXDJRHRQYBZDG-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064778
c1(C(=O)NCCOc2ccc(cc2)Cl)c2CCCc2[nH]n1	EMOLS-id_323258293,MCULE-2400272240	305.759	QKWSIMVDFKDRMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064779
c1(C(=O)NCC(O)c2ccc(Cl)cc2)c2CCCc2[nH]n1	EMOLS-id_335041437,MCULE-2426004251	305.759	DNONDEKWSRZPNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064780
c1(NC(=O)c2cc(Cl)ccc2OC)n(C)nc2CCCc12	PC-id_44062374,CoCoCo_5273106,MCULE-2859244511,EMOLS-id_28197122,ZINC22_35596715	305.759	SLMPYRCQLMVZMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064781
CC(c1ccc(c(c1)Cl)NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_318462039	305.759	ZNXRCBPDZNDBPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064782
CCC(c1ccc(cc1)Cl)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318532937	305.759	ZHYDEHLFOSRYQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064783
CCC(c1cccc(c1)Cl)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318737386	305.759	VUAFOLXKLSDACW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064784
CCC(C(=O)N1CCn2c1ccn2)(c1cccc(c1)Cl)O	EMOLS-id_318516836	305.759	MIOUSWXJZVMTCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064785
Clc1c2n(nc1NC(=O)Oc1ccccc1)CCC2(C)C	PC-id_59394329,SCHEMBL2794870	305.759	RNKWXJCVPBJEFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064786
Clc1c(C(c2n3CCCc3nn2)C(=O)OCC)cccc1	PC-id_79482665	305.759	QCEXSFCDRFNNOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064787
Clc1cc(C(c2n3CCCc3nn2)C(=O)OCC)ccc1	PC-id_79482671	305.759	BUMJUOYPLSYRAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064788
Clc1cccc(c1)C(NC(=O)c1nn2c(c1)OCC2)(C)C	EMOLS-id_318462426	305.759	IRUBECMYGLHXPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064789
Clc1ccc(cc1)C(NC(=O)c1nn2c(c1)OCC2)(C)C	EMOLS-id_318694901	305.759	HRAONARVKPQLBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064790
Clc1ccc(C(c2n3CCCc3nn2)C(=O)OCC)cc1	PC-id_79482672	305.759	SETRIMNBZRUFMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064791
Clc1cc(c(OCC(=O)Nc2n[nH]c3CCCc23)cc1)C	PC-id_9966286	305.759	BHJZNBXNSQGIGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064792
Cn1c(NC(=O)COc2ccc(Cl)cc2)c2c(CCC2)n1	PC-id_27376629,MCULE-8176758335,ZINC22_16848301,EMOLS-id_22760383,CoCoCo_5273001	305.759	XZCRAUYLCZLECX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064793
COc1ccc(c(c1)Cl)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318567268	305.759	HZLRCXYALDQOGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064794
COc1cc(ccc1Cl)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318744677	305.759	DJRUTSOFFOEBIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064795
COc1cc(ccc1Cl)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_317919429	305.759	BQCXHTBSGIRKHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064796
COc1ccc(c(c1)Cl)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318744801	305.759	VDXKMWNAEYLITL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064797
COc1ccc(c(c1)Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319758160	305.759	YCRYSYYGDLXVKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064798
COc1ccc(c(c1)Cl)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320037130,MCULE-9685473679	305.759	UMJQHPBHHJCOMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064799
COc1ccc(cc1Cl)N(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_317916099	305.759	INYRCYMIXHWBRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064800
COc1ccc(cc1C(=O)NC1CC(n2c1ncc2)C)Cl	EMOLS-id_318823428	305.759	SHUOUIVHZNNMSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064801
COc1ccc(cc1C(=O)NCc1n[nH]c2c1CCC2)Cl	MCULE-3967533274,EMOLS-id_319912360	305.759	BDMXIWJTVKDYNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064802
COc1cc(Cl)c(cc1C)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_318691741	305.759	TUTQOHUNDBAHIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064803
COc1cc(Cl)c(cc1C)NC(=O)c1cnc2n1CCC2	EMOLS-id_318600907	305.759	GGEJUEMWHHRNCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064804
COc1cc(Cl)c(cc1C)NC(=O)c1cnn2c1CCC2	EMOLS-id_318558546	305.759	ZOKGYKOIVPWLCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064805
COc1cc(Cl)ccc1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318542007	305.759	YLPZHWGZELXBJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064806
COc1cc(Cl)cc(c1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318700382	305.759	ORRVWEJGVZFPNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064807
COc1cc(Cl)ccc1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_317980106	305.759	RIEXNQKWRKVAJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064808
COc1cc(Cl)cc(c1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318676526	305.759	CZPYAEISDABDIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064809
COc1cc(Cl)cc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319527347	305.759	SWDATMZVHPZVNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064810
COc1cc(Cl)c(cc1NC(=O)c1cc2n(n1)CCC2)C	EMOLS-id_318633874	305.759	YODLWBFNEYIROC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064811
COc1cc(Cl)c(cc1NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318730622	305.759	NYMZFBRRGPFUEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064812
COc1cc(Cl)c(cc1NC(=O)c1cnn2c1CCC2)C	EMOLS-id_318686193	305.759	JADMFQKJLGLVPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064813
COc1c(Cl)cccc1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318498733	305.759	ZZUAAGRQCCPTSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064814
COc1c(Cl)cccc1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318758720	305.759	UXUMOUFEPXIFNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064815
COCc1c(cccc1Cl)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318465504	305.759	PCNVLBSGPAVOPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064816
OC(c1ccccc1Cl)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111450986	305.759	BCSMIUFCYVKCTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064817
O=C(c1cc(Cl)c(cc1C)O)NCc1cnc2n1CCC2	EMOLS-id_318913728	305.759	KFHQRQZOPATXFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064818
O=C(c1cc(Cl)c(cc1C)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319862571	305.759	JVHJMVUDRICTFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064819
OCC(c1ccc(cc1)Cl)NC(=O)c1n[nH]c2c1CCC2	PC-id_110004396	305.759	CGQVNGZXLSGBNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064820
O=C(C(c1ccc(cc1)Cl)O)NCc1cnc2n1CCC2	EMOLS-id_319544387	305.759	NEAYMLPGPGUNIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064821
O=C(Cc1ccc(c(c1)Cl)O)NCc1cnc2n1CCC2	EMOLS-id_319807457	305.759	HCKOVVYTOWEXAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064822
O=C(Cc1ccc(c(c1)Cl)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319456646	305.759	FUWFHXGDDRAZKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064823
O=C([C@@H](c1ccccc1Cl)O)NCc1cnc2n1CCC2	EMOLS-id_318822185	305.759	ASHUTSRHORCHHT-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064824
O=C([C@@H](c1ccccc1Cl)O)NCc1n[nH]c2c1CCC2	EMOLS-id_320228337,MCULE-7129333233	305.759	JOWFJGQDCCZRIU-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064825
O=C(NC1CC(n2c1ncc2)C)COc1ccccc1Cl	EMOLS-id_318451040	305.759	JWVSSGDAAMIYSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064826
O=C(NC1CC(n2c1ncc2)C)COc1ccc(cc1)Cl	EMOLS-id_318467659	305.759	BLHIJWAXHDEANO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064827
O=C(NC1CC(n2c1ncc2)C)COc1cccc(c1)Cl	EMOLS-id_318545606	305.759	SNFOMFKFXOLVEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064828
O=C(NCc1cnc2n1CCC2)COc1cccc(c1)Cl	EMOLS-id_318858883	305.759	DLJXDPWBXXFOSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064829
O=C(NCc1cnc2n1CCC2)COc1ccccc1Cl	EMOLS-id_319727171	305.759	CFFSJUGODXBBAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064830
O=C(NCc1n[nH]c2c1CCC2)COc1cccc(c1)Cl	EMOLS-id_319368621	305.759	ARJSBDQINQSZBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064831
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(cc1)Cl	EMOLS-id_319886018,MCULE-5694922764	305.759	GUWFZBUAOTZRBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064832
Cc1ccc(c(c1)Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319656744	305.763	AADVERLPBAWANY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064833
Cc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)Cl	EMOLS-id_319681450	305.763	PNZJRAWOXURLFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064834
Cc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1Cl	EMOLS-id_19947165,CoCoCo_4490690,MCULE-8685697514,ZINC22_10464429,PC-id_24612537	305.763	DPLAMLUEWJDWNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064835
Cc1ccc(NC(=O)NCc2nnc3n2CCC3)c(Cl)c1	EMOLS-id_36633538,MCULE-3726421926,ZINC22_58843350,PC-id_52591784	305.763	JIWSNMLNBRYEHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064836
Cc1nc(Cl)cc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_104122447	305.763	CVQOFSGPMDJZNT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064837
Cc1nc(Cl)cc(c1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_104122578	305.763	YIJOQDWPDVXJNI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064838
CCc1ncc(c(n1)C(=O)NCc1cnc2n1CCC2)Cl	EMOLS-id_320026969,MCULE-6698322127	305.763	NWENKIHFLOHTJU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064839
CCc1ncc(c(n1)C(=O)NCc1nn2c(c1)CCC2)Cl	EMOLS-id_319386419	305.763	AWRSEVPLXALNNA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064840
CCc1ncc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)Cl	MCULE-9343260082,EMOLS-id_320311956	305.763	HCDKESXAKNHGFX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-064841
C[C@@H]1C[C@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn12	ZINC22_868742427	305.763	XXCAQUKALNTVAC-APPZFPTMSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064842
C[C@H]1C[C@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn12	ZINC22_868742428	305.763	XXCAQUKALNTVAC-CBAPKCEASA-N	00100010100000000001100010000000000000000000000000000000	25-01-064843
C[C@H]1C[C@@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn12	ZINC22_868742429	305.763	XXCAQUKALNTVAC-IONNQARKSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064844
C[C@@H]1C[C@@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn12	ZINC22_868742430	305.763	XXCAQUKALNTVAC-VXNVDRBHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064845
CCNc1ncc(cc1Cl)C(=O)N1Cc2c(C1)cnn2C	MCULE-3335207571,EMOLS-id_318516896	305.763	AWGGRGNKIHZPDR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064846
CCNc1ncc(cc1Cl)C(=O)NC1CCn2c1ncc2	EMOLS-id_319051828	305.763	MXATZRRCGSMEJJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064847
Clc1ccc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319092260	305.763	USUUMFAHUBASDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064848
Clc1cccc(c1)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318382484	305.763	IPIFZTUFFMCVPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064849
Clc1cc(c(NC(=O)NCc2n3CCCc3nn2)cc1)C	PC-id_60447252	305.763	CVLIYEUFZDUHEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064850
Clc1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1N	PC-id_64320259	305.763	DGLBPIMNCWXBFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064851
Clc1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1N	PC-id_64321867	305.763	WSARAOJEWADSBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064852
Clc1cc(C(=O)N(Cc2n3CCCc3nn2)C)cc(N)c1	PC-id_81534382	305.763	ZNXHKCPRKXNTMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064853
Clc1cc(C(=O)NC(c2n3CCCc3nn2)C)cc(N)c1	PC-id_81556594	305.763	AOBGBUHPJWIMHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064854
Clc1cc(C(=O)N(Cc2n3CCCc3nn2)C)c(N)cc1	PC-id_61110118	305.763	DHUBESMVNLAICO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064855
Clc1cc(N)c(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_61110116	305.763	NLSMIPVNWDJZKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064856
Clc1cc(N)c(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_63110584	305.763	ZLMTUIXOFGBBOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064857
Clc1c(c(NC(=O)NCc2n3CCCc3nn2)ccc1)C	PC-id_60447438	305.763	IPMYCDXRBPPNSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064858
Clc1cc(NC(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_60449267	305.763	ZNWVVEDYLPVKOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064859
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)ccc(N)c1	PC-id_61110117	305.763	KKWYTCSXLGSGAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064860
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(N)cc1	PC-id_61109929	305.763	YOOPRHCQHOTZLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064861
Clc1c(C(=O)NC(c2n3CCCc3nn2)C)cnc(c1)C	PC-id_81229201	305.763	TVGPBYPVIAEALR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064862
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)cnc(c1)C	PC-id_81229826	305.763	KNQDSOKGMOYCKD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064863
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)c(N)ccc1	PC-id_63658437	305.763	GRRXKSSYAXJADS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064864
Clc1c(N)cc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_43698137	305.763	QTVHHZQPMDAEFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064865
Clc1c(N)cc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_60964146	305.763	UOWPMOQXVXISAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064866
CNc1ccc(c(c1)Cl)C(=O)NC1CC(n2c1ncn2)C	MCULE-7581062502,EMOLS-id_319982378	305.763	OVASXKLVTBUQTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064867
CN(Cc1nnc2n1CCC2)C(=O)Nc1ccc(Cl)cc1	EMOLS-id_12015937,PC-id_17435944,CoCoCo_4490676,ZINC22_8704701,MCULE-3070483798	305.763	NEGXAORQISKFCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064868
CN(C(=O)c1cccc(c1Cl)N)Cc1nnc2n1CCC2	PC-id_115930355	305.763	PFPCXVKLGBOMJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064869
CN(C(=O)c1cccc(c1N)Cl)Cc1nnc2n1CCC2	PC-id_115540344	305.763	QKBRMVYWQDKMKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064870
O=C(c1c(Cl)[nH]nc1C1CC1)NC1CC(n2c1ncc2)C	MCULE-5369037360,PC-id_138989844,EMOLS-id_316966470	305.763	XXCAQUKALNTVAC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-064871
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1C)Cl	EMOLS-id_319173884	305.763	FISROKJWSJVFLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064872
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1Cl)C	EMOLS-id_319701377	305.763	HAZIRGBHYQYKRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064873
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1c(C)cccc1Cl	EMOLS-id_319687404	305.763	FHQSMQWWVJEAFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064874
O=C(Nc1cncc(c1C)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_101474365	305.763	HDIGPEYKUAKZLD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064875
O=C(N(Cc1nnc2n1CCC2)C)Nc1ccccc1Cl	EMOLS-id_318463548	305.763	QQVFXYWAONVQEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064876
CC1CC(c2n1ccn2)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	MCULE-6228093813,EMOLS-id_319980541	305.778	DIBGYFQBXIEFNT-GAZZVSFRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-064877
Fc1cccc(c1[C@@H]1C[C@H]1NCc1cnc2n1CCC2)Cl	EMOLS-id_320159226,MCULE-6728206127	305.778	OEJUNTDVELNSEK-BXUZGUMPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-064878
Fc1ccc(c(c1)Cl)C1(CNC2CCn3c2ncc3)CC1	MCULE-2611730522,EMOLS-id_318184461	305.778	QFLRQWJVJMLJMU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-064879
Fc1ccc(cc1Cl)C(C1CC1)NC1CCn2c1ncc2	EMOLS-id_318211162,MCULE-1173258017	305.778	KNYNHHHNVHLKIH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-064880
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CNC2)n1	MCULE-7503614581	305.783	SFTGWMXENBKSSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064881
CCCc1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324846304	305.783	JOFNZZSXRCWCEU-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064882
CC(C)c1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324848361	305.783	VSGNZXCWPDNWHS-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064883
CCCc1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324845293	305.783	FWXWWTMBONPMLY-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064884
CC(C)c1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324847335	305.783	ZRUGEMLIRURJRX-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064885
Clc1ccc(/C=C/C(=O)N2Cc3sc(nc3C2)N)cc1	PC-id_82194136	305.783	AUSJRJLSVRGOKZ-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064886
Clc1ccc(/C=C/C(=O)Nc2sc3CNCc3n2)cc1	PC-id_82194023	305.783	QKISUHBZEAVQQG-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064887
Clc1c(/C=C/C(=O)N2Cc3sc(nc3C2)N)cccc1	PC-id_82194220	305.783	IJVLIKKTAAUDIU-AATRIKPKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064888
Clc1c(/C=C/C(=O)Nc2sc3CNCc3n2)cccc1	PC-id_82194109	305.783	SFTGWMXENBKSSM-AATRIKPKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064889
n12c(=O)c(=Cc3ccc(cc3)Cl)sc1nc(C(C)C)n2	MCULE-6935456989	305.783	ZRUGEMLIRURJRX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064890
n12c(=O)c(=Cc3ccccc3Cl)sc1nc(C(C)C)n2	MCULE-9263035254	305.783	VSGNZXCWPDNWHS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064891
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCC	MCULE-2875195629	305.783	JOFNZZSXRCWCEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064892
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)CCC	MCULE-7082320111	305.783	FWXWWTMBONPMLY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-064893
Clc1ncc(CN2CCn3c2c(sc3=NC#N)C)cc1	PC-id_9944353	305.786	VQPDRBZBLMUKNE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064894
N#Cc1cnc(c(c1)Cl)NCCc1cn2c(n1)SCC2	MCULE-7539942624,EMOLS-id_318634205	305.786	PJUNXRJUYZOJDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064895
N#Cc1nc(NCCc2nc3n(c2)CCS3)ccc1Cl	MCULE-4838930360,EMOLS-id_318694394	305.786	CZUOLOZOPLYUES-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064896
C1=C[Te]c2c1c(c[nH]2)CC(C(=O)O)N	PC-id_88149736	305.788	CFQNCSGZQKDKLR-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-064897
C1=C[Te]c2c1[nH]cc2CC(C(=O)O)N	PC-id_88149893	305.788	FUBJOPOADUVUDB-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-064898
N[C@H](C(=O)O)Cc1c[nH]c2c1C=C[Te]2	SCHEMBL7488158	305.788	CFQNCSGZQKDKLR-ZETCQYMHSA-N	00000001100000000000000010000000000000000000000000000000	25-01-064899
OC(=O)[C@H](CC1=Cc2c([Te]1)cc[nH]2)N	PC-id_141588709	305.788	SIPAUFVVFZJAEP-LURJTMIESA-N	00000001100000000000000010000000000000000000000000000000	25-01-064900
OC(=O)[C@H](CC1=Cc2c([Te]1)[nH]cc2)N	PC-id_141588710	305.788	VVVBMKXSWQYELC-ZETCQYMHSA-N	00000001100000000000000010000000000000000000000000000000	25-01-064901
OC(=O)[C@H](Cc1c[nH]c2c1[Te]C=C2)N	SCHEMBL7489856	305.788	FUBJOPOADUVUDB-LURJTMIESA-N	00000001100000000000000010000000000000000000000000000000	25-01-064902
Clc1cc(C(N)c2c3CCCc3oc2CC)ccc1OC	PC-id_83610233	305.799	NMXLSTHLDDPISQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064903
Clc1cc(C(N)c2c3CCCc3oc2CC)c(OC)cc1	PC-id_83610235	305.799	SIXGYSVUOLAGKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064904
C1Cc2c(c(sc2S1)NC(=O)CCl)C(=O)OCC	MCULE-2769021269,PC-id_53274893	305.801	KXDWLKVLISMKAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064905
COc1cc(Cl)ccc1Cn1nc(CN)c2C(C)CCc12	EMOLS-id_331017202,MCULE-3897671966	305.802	MVVFEVFURMEARI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064906
COc1cc(Cl)c(cc1NC(c1cc2n(n1)CCC2)C)C	MCULE-7392262626,EMOLS-id_318306822	305.802	QGPJVMRKSMPUBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064907
COc1ccc(cc1Cl)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318102425,MCULE-2375932286	305.803	MNFMURIVRHUTCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064908
COc1ccc(cc1C(NC1CC(n2c1ncc2)C)C)Cl	MCULE-1230309244,EMOLS-id_318371632	305.803	MTLXKQNHMSAMSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064909
COc1ccc(Cn2nc3CCC(C)c3c2CN)cc1Cl	MCULE-6578539552,EMOLS-id_330995385	305.803	KBVVOZJDLSDBDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064910
COc1ccc(Cn2nc3CCC(C)c3c2CN)c(Cl)c1	MCULE-5631872092,EMOLS-id_330995641	305.803	XIXVUAQNPXVTJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064911
COc1ccc(Cn2nc(CN)c3C(C)CCc23)cc1Cl	EMOLS-id_331013630,MCULE-5837710063	305.803	RZRBQJSVLOJNKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064912
COc1ccc(Cn2nc(CN)c3C(C)CCc23)c(Cl)c1	MCULE-4821587148,EMOLS-id_331013886	305.803	HTAKEEXJPRPGJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064913
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1CN	MCULE-2119184563,EMOLS-id_330994877	305.803	ZVQAWHMOCWEWHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064914
COc1cc(Cl)ccc1C(NC1CC(n2c1ncc2)C)C	MCULE-1738178970,EMOLS-id_318119177	305.803	KCDFVEMXRHJULO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064915
COc1cc(Cn2nc3CCC(C)c3c2CN)ccc1Cl	MCULE-9395527775,EMOLS-id_330994621	305.803	GHDONCQMLMRYPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064916
COc1cc(Cn2nc(CN)c3C(C)CCc23)ccc1Cl	EMOLS-id_331016946,MCULE-4762308937	305.803	ASDRLTLMJCXMKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064917
COC(c1ccc(cc1)Cl)C(NC1CCn2c1ncc2)C	EMOLS-id_318088252	305.803	KXNFOAFRMJFLEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064918
COC(c1ccc(cc1)Cl)CNCc1cnc2n1CCC2	EMOLS-id_318193608	305.803	FHXDPZKZSACULY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064919
COCC(c1ccc(cc1)Cl)NCc1cnc2n1CCC2	EMOLS-id_318388999	305.803	NBCIPNBCMRHLKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064920
OCC(N(Cc1cnc2n1CCC2)C)c1ccc(cc1)Cl	EMOLS-id_318370902	305.803	VBIASYPJIMQMGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064921
Clc1cccc(c1)CN(C(=O)c1sc2c(c1)CCC2)C	PC-id_112792297	305.822	AIKGYJBRKWKTSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064922
Clc1ccc([C@@H](NC(=O)c2sc3CCCc3c2)C)cc1	PC-id_9186829	305.822	JYMJQAXOFJYFEG-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-064923
Clc1ccc([C@H](NC(=O)c2sc3CCCc3c2)C)cc1	PC-id_9186830	305.822	JYMJQAXOFJYFEG-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064924
Clc1ccc(CN(C(=O)c2sc3CCCc3c2)C)cc1	PC-id_52892127	305.822	JAHACRSKBMOPJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064925
Clc1ccc(C(NC(=O)c2sc3CCCc3c2)C)cc1	PC-id_84948196	305.822	JYMJQAXOFJYFEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064926
Clc1cc([C@@H](NC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_9181131	305.822	URNXEUQMNYFTKW-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-064927
Clc1cc([C@H](NC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_9181134	305.822	URNXEUQMNYFTKW-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064928
Clc1cc(C(NC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_47097490	305.822	URNXEUQMNYFTKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064929
ClCc1ccc(cc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_107233383	305.822	DXXWMYPVFHLRSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064930
ClC(c1ccccc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_114295715	305.822	XQMJGHVWBSZBIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064931
ClCc1cccc(c1)CNC(=O)c1sc2c(c1)CCC2	PC-id_114302331	305.822	ZIGPODZMQKQBSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064932
ClCc1ccc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61208372	305.822	XDSMZVHMVSYIIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064933
ClCc1cc(C(=O)NCc2sc3CCCc3c2)ccc1	PC-id_61208567	305.822	XAXTZJJJWBIHBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064934
ClCCc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_114299179	305.822	KBFPOEPAYKSAGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064935
ClCC(c1ccccc1)NC(=O)c1sc2c(c1)CCC2	PC-id_114300095	305.822	UOGZWZUWPNAIGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064936
ClC(C(=O)NCc1sc2CCCc2c1)c1ccccc1	PC-id_61208371	305.822	NMHYEGORGMWJLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064937
O=C(c1sc2c(c1)CCC2)Nc1ccccc1C(Cl)C	PC-id_114304799	305.822	MHKPDPMBPXEDPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064938
O=C(c1sc2c(c1)CCC2)N(Cc1ccccc1Cl)C	PC-id_112790261	305.822	NYJYMCNCDPPYME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064939
O=C(NCCc1ccc(Cl)cc1)c1cc2c(s1)CCC2	CoCoCo_3174100,ZINC22_3230508,PC-id_2348576,MCULE-5119644863,EMOLS-id_43799005	305.822	CENHUEGPHCHUQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064940
Clc1cc(NCc2sc3c(c2)CCC3)nc(n1)C1CC1	PC-id_103880000	305.826	ZSELYGLMTDFLHI-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-064941
Clc1sc2c(C(NC3CCS(=O)(=O)CC3)CC2)c1	PC-id_81252384	305.844	FZTGTUURXZYVRB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064942
Clc1sc2c(C(NC3(CS(=O)(=O)CC3)C)CC2)c1	PC-id_81252682	305.844	MGZRTXSUNUJHOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064943
Clc1sc2c(C(NC3CS(=O)(=O)CCC3)CC2)c1	PC-id_81251624	305.844	AWPCAHBDTKGBIK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-064944
Clc1sc2c(C(NCC3CS(=O)(=O)CC3)CC2)c1	PC-id_81252182	305.844	SQPNIPBJEZZGPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064945
Clc1sc2c(C(NCC3S(=O)(=O)CCC3)CC2)c1	PC-id_81251437	305.844	PYBAVWFZYNNJCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064946
CC(Cc1ccc(cc1)Cl)NCc1sc2c(c1)CCC2	PC-id_105544064	305.865	WYZWWFOCMIMRDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064947
CCCNC(c1ccccc1Cl)c1sc2c(c1)CCC2	PC-id_115801137	305.865	JWLOVZRPACYJIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064948
CCCNC(c1sc2c(c1)CCC2)c1cccc(c1)Cl	PC-id_115811465	305.865	HDOYENKNKZJLLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064949
CCNC(c1ccc(c(c1)Cl)C)c1sc2c(c1)CCC2	PC-id_107561862	305.865	VJRAEMXKNCGWEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064950
Clc1ccc(CC(NCC)c2sc3c(CCC3)c2)cc1	PC-id_63527575	305.865	FZZALDNNQOIWCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064951
Clc1c(cc(C(NC)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64212926	305.865	LCEBYANWOMNFIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064952
Clc1ccc(C(NCc2sc3c(CCC3)c2)CC)cc1	PC-id_61209132	305.865	BYPAKQOSNTZHTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064953
Clc1cc(CC(NCC)c2sc3c(CCC3)c2)ccc1	PC-id_63526581	305.865	TULUVFZZNYYDQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064954
Clc1ccc(C(NCCC)c2sc3c(CCC3)c2)cc1	PC-id_43494735	305.865	XWIXLAUOIBRJMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064955
Clc1cc(C(NCc2sc3c(CCC3)c2)CC)ccc1	PC-id_61208547	305.865	QUBXYSUHHZRUFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064956
Clc1c(CC(NCC)c2sc3c(CCC3)c2)cccc1	PC-id_63527023	305.865	QGLIQYMJPHQMPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064957
Clc1sc2CCC(Nc3ccc(C(CC)C)cc3)c2c1	PC-id_81251409	305.865	SXCPQMMWSOXWEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064958
Clc1sc2c(C(Nc3c(C(C)(C)C)cccc3)CC2)c1	PC-id_81251722	305.865	GKCZWIGPLZSJHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064960
Clc1sc2c(C(Nc3ccc(C(C)(C)C)cc3)CC2)c1	PC-id_81252769	305.865	JQKNTDNQNISMKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064961
Clc1sc2c(C(NC(c3c(cc(cc3)C)C)C)CC2)c1	PC-id_81251611	305.865	YDTZXMIYRIVRIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064962
Clc1sc2c(C(NC(c3ccc(cc3)CC)C)CC2)c1	PC-id_81252170	305.865	UKPOKWHDEUJBLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064963
Clc1sc2c(C(NC(c3c(ccc(c3)C)C)C)CC2)c1	PC-id_81252900	305.865	YJMAFATXPLLCPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064964
Clc1sc2c(C(NCc3ccc(C(C)C)cc3)CC2)c1	PC-id_81252913	305.865	YOTBNPOXIGBHMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064965
Clc1sc2c(C(NC(Cc3c(cccc3)C)C)CC2)c1	PC-id_81252288	305.865	VLJPYAUVPQALBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064966
Clc1sc2c(C(NCC(c3ccccc3)(C)C)CC2)c1	PC-id_81252396	305.865	SKZAHKILAJMTMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064967
Clc1sc2c(C(NCCC(c3ccccc3)C)CC2)c1	PC-id_81251970	305.865	CJDADCKPKZWONE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064968
Clc1sc2c(C(NC(CCc3ccccc3)C)CC2)c1	PC-id_81252674	305.865	JEGXUWHOZUZWIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064969
Clc1sc2c(C(NC(CC)c3ccc(cc3)C)CC2)c1	PC-id_81252685	305.865	UVTMFCSSSQGXBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064970
Clc1sc2c(C(NC(CCC)c3ccccc3)CC2)c1	PC-id_81252059	305.865	NOTUQZINMHAESZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064971
Clc1sc2c(C(NC(C(C)C)c3ccccc3)CC2)c1	PC-id_81252482	305.865	QTYCZPSDXHYCEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064972
CNC(c1cc(C)c(cc1Cl)C)c1sc2c(c1)CCC2	PC-id_115483973	305.865	YCTKTMUMISDDJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064973
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)C	PC-id_106867556	305.865	JTDWUMKNKXARAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064974
Clc1sc2c(c1)C(CC2)NCC1CSCCS1	PC-id_113489329	305.91	HYCAOKKVCNGHFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064975
CCN(CC)C1(CC2=C(S1)SC(=C2)S(=O)(=O)N)C	PC-id_154309760	306.053	UJSPFACIKQVIDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064976
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3=CSC=N3)C	PC-id_160746180	306.067	RWFIRUIEMHKIRZ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-064977
CC1(C2=NN(C(=C2CN1)NC(=O)C3=CC=CS3)C(=O)O)C	PC-id_160703374	306.079	RQXFZOXKOUBEHI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-064978
CS(=O)(=O)C1=NC=C(C=C1)C(=O)NC2CCN3C2=CN=C3	PC-id_154781712,EMOLS-id_317778346,MCULE-8086152984	306.079	XHWXELWKIQSTHY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-064979
ICCCC1(OC(=O)c2c1occ2)C	PC-id_11748766	306.097	VGHYZTJXTHRART-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-064980
CCOC(=O)CN1C2=C(CC(C2(F)F)C=C)C(=N1)C(F)F	PC-id_155065918	306.099	SBMADCAKEJQQKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064981
CC1CCc2c1c(I)nn2CC(=O)O	EMOLS-id_330983668,MCULE-2713604362	306.1	BJSKVPZLOUAZDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064982
CC1CCc2nn(CC(=O)O)c(I)c12	EMOLS-id_330969013,MCULE-9134321865	306.1	LTTGYRWJVGNQJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064983
CCOC(=O)c1nc(I)c2CCCn12	SCHEMBL18039592,PC-id_122508690,MCULE-1140777229,EMOLS-id_110793692	306.1	LXJCGIFFKSROMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064984
Brc1cc(C=C2Cn3c(C2=O)ccc3)c(F)cc1	MCULE-9952157262,EMOLS-id_29991599,PC-id_72057141	306.13	OOAVOGQMAHXCGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064985
Brc1ccc(c(c1)/C=C
/Cn2c(C1=O)ccc2)F	CoCoCo_4588837	306.13	OOAVOGQMAHXCGX-POHAHGRESA-N	00000010100000110000000010000000000000000000000000000000	25-01-064986
O=C1/C(=C/c2cc(Br)ccc2F)/Cn2cccc12	CoCoCo_4588836,PC-id_45865683,ZINC22_40039787	306.13	OOAVOGQMAHXCGX-UXBLZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-064987
BrC1=Cc2[nH]c(cc2S1(=O)=O)C(=O)OCC	PC-id_53342461	306.133	WBKFBOXDJLFWCJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-064988
BrC1=CS(=O)(=O)c2c1[nH]c(c2)C(=O)OCC	PC-id_53342187	306.133	VEKQHNJMKSSNQH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-064989
c12C(C)CCc1n(nc2I)CCCO	MCULE-1433706146,EMOLS-id_330982389	306.143	FQBDKOILPGFMQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064990
c12C(C)CCc1nn(CCCO)c2I	MCULE-9859071178,EMOLS-id_330967734	306.143	FYUDJYLETWBZCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-064991
Brc1ccccc1NC(=O)c1cn2CCCc2n1	EMOLS-id_321298140,MCULE-2732864179	306.158	SQYYJACJJHJHLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064992
Brc1ccccc1NC(=O)c1n[nH]c2CCCc12	PC-id_110388942,EMOLS-id_179744894,MCULE-3200589412	306.158	TWWIKSIFDXINBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064993
Brc1cccc(NC(=O)c2cn3CCCc3n2)c1	MCULE-9116098384,EMOLS-id_321298396	306.158	CTJYWIAHPCTYEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064994
Brc1cccc(NC(=O)c2n[nH]c3CCCc23)c1	PC-id_110388943,EMOLS-id_179744897,MCULE-7245318247	306.158	FBHNRKGNYVUBKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064995
Brc1ccc(NC(=O)c2cn3CCCc3n2)cc1	MCULE-6211302853,EMOLS-id_321297114	306.158	WHFJKQLZRASUFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064996
Brc1ccc(NC(=O)c2n[nH]c3CCCc23)cc1	EMOLS-id_179744796,PC-id_110388910,MCULE-9394034727	306.158	CZYWXHAJKOTTNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064997
C1CCc2nc(c(n12)C(=O)c1ccc(Br)cc1)N	TIMTEC229665,ZINC22_6668601,MCULE-6331483264,PC-id_534891,EMOLS-id_9989596	306.158	IYDHOXIKXOTFCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-064998
C[C@@H]1CC(C[C@@H](O1)C)C(=O)c1nn(c2c1CCC2)CC(=O)O	PC-id_163820190	306.158	NUSIXSZXZDHGCN-ZACCUICWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-064999
CN1C=C(C=N1)C2=NC(=NC=C2)C=CC3=C4CCCC4=NN3C	EMOLS-id_317733065,PC-id_154785477,MCULE-1308834931	306.159	BXEHUQMOIAYQJW-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-065000
O=C(c1c(Br)nc2n1CCC2)N=S(=O)(C)C	EMOLS-id_316577486	306.179	SLDCFQJSAIZJKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065001
FC(F)(CC1Oc2n[nH]c(c2C1)C)C(F)(F)C(F)(F)F	PC-id_15373272	306.18	LLABCJDNOXZBCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065002
Brc1ccc(C(N)c2c3CCCc3oc2C)cc1	PC-id_83610146	306.198	LWBXSRCKTCTSLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065003
Brc1cccc(c1C)CNC1CCn2c1ncc2	EMOLS-id_318200072,MCULE-3938260441	306.201	BAJAYGDZLCNTCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065004
Brc1cccc(c1)CCNC1CCn2c1ncc2	MCULE-2440495591,EMOLS-id_317955447	306.201	DOSMRRCBFUSIRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065005
Brc1ccc(cc1)CCNC1CCn2c1ncc2	MCULE-7281445995,EMOLS-id_317920136	306.201	TTZLKSUBCQBGGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065006
Brc1ccc(cc1)[C@H](NC1CCn2c1ncc2)C	EMOLS-id_318290185	306.201	OORZFVJTNTYIAS-VUUHIHSGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065007
Brc1ccc(cc1)[C@@H](NC1CCn2c1ncc2)C	EMOLS-id_318370356	306.201	OORZFVJTNTYIAS-NKUHCKNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-065008
Brc1cccc(c1)CNC1CC(n2c1ncc2)C	EMOLS-id_317946767,MCULE-8121762479	306.201	KOSXYEVTZUFKEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065009
Brc1ccccc1CNC1CC(n2c1ncc2)C	EMOLS-id_317968564,MCULE-5473290212	306.201	XDRWLTIYWDYXIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065010
Brc1ccc(cc1)CNC1CC(n2c1ncc2)C	EMOLS-id_317971891,MCULE-6746671862	306.201	CMXSWSZNJGGUTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065011
Brc1ccc(cc1)C(NC1CCn2c1ncc2)C	EMOLS-id_317980583,MCULE-1103638873	306.201	OORZFVJTNTYIAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065012
Brc1cccc(c1)C(NC1CCn2c1ncc2)C	MCULE-6316495156,EMOLS-id_317959349	306.201	GEVCRVZWLCAMHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065013
Brc1ccc(c(c1)CNC1CCn2c1ncc2)C	MCULE-6400603751,EMOLS-id_318010263	306.201	LRLDIJCIIHYXFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065014
Brc1ccccc1CNCc1cnc2n1CCC2	EMOLS-id_317927544,MCULE-9259392348	306.201	OPOMXECRLOYQBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065015
Brc1ccc(c(c1)C)NCc1cnc2n1CCC2	EMOLS-id_317960837,MCULE-9288725284	306.201	AKMWUFGTJBCVJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065016
Brc1ccc(cc1)CNCc1cnc2n1CCC2	EMOLS-id_317977240,MCULE-1504010174	306.201	HBZUJOVIFCEWES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065017
Brc1cccc(c1C)NCc1cnc2n1CCC2	MCULE-2621649958,EMOLS-id_317938610	306.201	VDNMOVXZNNZTJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065018
Brc1ccc(cc1C)NCc1cnc2n1CCC2	MCULE-4527508891,EMOLS-id_317946999	306.201	LHSFMYWNUHCFPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065019
Brc1cccc(c1)CNCc1cnc2n1CCC2	MCULE-6369334663,EMOLS-id_317939035	306.201	GLFMEHNNCHFCEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065020
Brc1ccc(c(c1)NCc1cnc2n1CCC2)C	EMOLS-id_317975970,MCULE-2220534405	306.201	JKLAPJJNHHVFGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065021
Brc1ccc(cc1)NC(c1nn2c(c1)CCC2)C	MCULE-8587720302,EMOLS-id_318369607	306.201	OLGSAKFZAGOZGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065022
Brc1cccc(c1)NC(c1nn2c(c1)CCC2)C	MCULE-8635729596,EMOLS-id_318052773	306.201	UMVVBFKURMPLDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065023
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)Br	MCULE-7765994245,EMOLS-id_330962679	306.201	DEASOQZUURCPFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065024
CC1CCc2c1c(N)nn2Cc1cccc(Br)c1	EMOLS-id_330963959,MCULE-6511872801	306.201	JUZJYAVUVNPSML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065025
CC1CCc2c1c(N)nn2Cc1ccccc1Br	MCULE-5821275976,EMOLS-id_330961656	306.201	VBHHTEWWICQCQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065026
CC1CCc2nn(Cc3ccc(Br)cc3)c(N)c12	MCULE-8207889247,EMOLS-id_331011748	306.201	CAZOEXUGHJXRNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065027
CC1CCc2nn(Cc3cccc(Br)c3)c(N)c12	EMOLS-id_331013028,MCULE-3715643971	306.201	KGLYEQFRJVCFAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065028
CC1CCc2nn(Cc3ccccc3Br)c(N)c12	EMOLS-id_331010725,MCULE-5804066911	306.201	XAQWNBXBSQKLOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065029
Cc1ccc(cc1Br)NCc1cnc2n1CCC2	EMOLS-id_317954213,MCULE-6040097478	306.201	KNUDQAPBFRTYQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065030
Cc1cccc(c1Br)NCc1cnc2n1CCC2	MCULE-5335663934,EMOLS-id_317951314	306.201	QZPBUHLOSXXOPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065031
Cc1ccc(c(c1)Br)NCc1cnc2n1CCC2	MCULE-8786517462,EMOLS-id_317957494	306.201	AAPRERSZJQIUOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065032
Cc1ccc(c(c1)CNC1CCn2c1ncc2)Br	EMOLS-id_318370122,MCULE-3911872372	306.201	VPDUTJLOGHZHEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065033
Cc1ccc(c(c1)NCc1cnc2n1CCC2)Br	MCULE-5724603337,EMOLS-id_317943936	306.201	DDNSLKXWXBTTPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065034
Cc1cc(NCc2cnc3n2CCC3)cc(c1)Br	EMOLS-id_317931626,MCULE-1429047033	306.201	LUMWHRVQQWYJCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065035
CC(c1ccccc1Br)NC1CCn2c1ncc2	EMOLS-id_317921623,MCULE-9921699885	306.201	WHZPUURGCNKOMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065036
CCc1ccc(c(c1)Br)NC1CCn2c1ncc2	MCULE-1503687428,EMOLS-id_318407146	306.201	JTFDQFMCRVNBSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065037
Brc1nc2SCCn2c1/C=N/NC(=S)N	CoCoCo_5595435,PC-id_9556438,NSC315235,LI_185197	306.206	OUZCDRZUBHKTFG-XCVCLJGOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065038
Brc1nc2SCCn2c1C=NNC(=S)N	PC-id_4216412	306.206	OUZCDRZUBHKTFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065039
NC(=S)N/N=Cc1c(Br)nc2n1CCS2	CoCoCo_5595436	306.206	OUZCDRZUBHKTFG-KMKOMSMNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065040
c12CN(Cc1nn(CC(F)(F)F)c2C=NO)C(=O)OCC	EMOLS-id_324356717,MCULE-4730486617	306.241	KFVSOAYRMYYMFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065041
COC(=O)c1c(NC(=O)NCC(F)(F)F)nc2n1CCC2	PC-id_145879595,ZINC22_1774207986,EMOLS-id_316970623,MCULE-9870914166	306.241	PVSVLVHVJHXJJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065042
CCC(NC(=O)c1sc2c(c1)CCC2)(CCl)CCl	PC-id_107867472	306.251	RHJUFTOBNGUCMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065043
P(=O)(OCC)(OCC)c1ncn2C(C(O)C(O)c12)CO	PC-id_85300459	306.252	KBIHGUHJVVOIBN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065044
P(=O)(OCC)(OCC)c1ncn2[C@@H]([C@@H](O)[C@H](O)c12)CO	PC-id_10881316	306.252	KBIHGUHJVVOIBN-SZEHBUNVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065045
CCC(F)(F)C1CCc2nc(nn12)C(=O)N1CC(F)(F)C1	SCHEMBL20221906,PC-id_134571292,BindingDB-id_1065721	306.259	RKDYUPCOCSCKMS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065046
O=C(N1CC(C(C1)(F)F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101572758	306.259	GGBGFTWPENDSHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065047
c12CN(Cc1nn(CC(F)(F)F)c2N)C(=O)OC(C)(C)C	MCULE-9987305237,EMOLS-id_324339558	306.284	YYHXYRVGMMYURX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065048
FC(F)(F)COC(C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_45823588	306.284	SRGCGQRVVBRYGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065049
N#Cc1c(NC(=O)c2cccc(F)c2F)nc2n1CCS2	MCULE-3354628238,EMOLS-id_44509039,ZINC22_78789160,PC-id_60323821	306.291	JFCGRJKQZUCMIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065050
S1CCn2c1nc(NC(=O)c1c(F)ccc(F)c1)c2C#N	PC-id_60285093	306.291	NQSCCNDGACHTKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065051
CN(Cc1ccc(cc1)F)CC1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_141088165	306.292	BNCBNKFAOOMAAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065052
OC(=O)c1ccc(c(n1)Nc1sc2c(n1)CCC2)[N+](=O)[O-]	PC-id_114403868	306.297	AKRNWFZJSOBAAZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065053
OC(=O)c1cc(cnc1Nc1sc2c(n1)CCC2)[N+](=O)[O-]	PC-id_108158775	306.297	QCZLOWZZUPUAPJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065054
OC(=O)c1cc(ncc1[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_105617686	306.297	CTYPRXYFGBESOT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065055
s1c2CCCc2nc1Nc1ncc(cc1[N+](=O)[O-])C(=O)O	PC-id_81448088	306.297	CAXVSJGRWDCQBC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065056
O=C(Cc1sc(c2c1CCC2)C(=O)N)NCC(F)(F)F	PC-id_141443923	306.304	IQROEOCWQLCGSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065057
OC(=O)C1CCc2c1nc(s2)N(C1CC1)CC(F)(F)F	PC-id_104288099	306.304	CDMLRZSMJRZGMO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065058
c1(C(=O)O)c2C(C)CCc2n(Cc2c(C)cc(cc2F)F)n1	EMOLS-id_330988532,MCULE-7766445687	306.307	PLHAHWZJEJNUES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065059
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(F)c2C)F)n1	MCULE-9693833604,EMOLS-id_330988276	306.307	MZDQUSDNYYPWEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065060
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)cc(F)c2C)n1	EMOLS-id_330988020,MCULE-9974088203	306.307	RJJGVPSABBXUQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065061
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(F)c1C)F	MCULE-7368175589,EMOLS-id_330971312	306.307	UFSPRSPLDJJOHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065062
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)cc(F)c1C	MCULE-1659984036,EMOLS-id_330971056	306.307	WYMDIXXUFRAPBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065063
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1F)F	MCULE-4025618421,EMOLS-id_330972083	306.307	HIMZTIYFUBXXON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065064
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(F)c1F	MCULE-5079564985,EMOLS-id_330972853	306.307	RIAIQFSWUBSEEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065065
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)F	MCULE-9751162258,EMOLS-id_330972339	306.307	AYRLSCJVNHFMPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065066
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(F)ccc1F	MCULE-4617163921,EMOLS-id_330972597	306.307	WKDNOVKBENCGSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065067
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2F)F)n1	EMOLS-id_330989811,MCULE-1838960815	306.307	GVONXVGFCKAALK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065068
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(cccc2F)F)n1	EMOLS-id_330991859,MCULE-2597657472	306.307	QOCNJBQFUBPXOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065069
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(F)c2)F)n1	EMOLS-id_330993650,MCULE-8163575784	306.307	ZIWRBZGGQXDGMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065070
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(F)c2F)n1	MCULE-8421411292,EMOLS-id_330991603	306.307	YZIIBOISLNJXBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065071
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)ccc2F)n1	EMOLS-id_330992115,MCULE-8656385101	306.307	SJFOCSQRYKGRTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065072
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)cc(F)c2)n1	EMOLS-id_330990068,MCULE-3961056829	306.307	HPYZMAUCQDYIMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065073
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1F)F	EMOLS-id_330971582,MCULE-7308481065	306.307	WQSCWDYYGKFNJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065074
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(F)c1F	EMOLS-id_330969279,MCULE-9362033928	306.307	DOEFRHUUBPSVBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065075
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)F	EMOLS-id_330971326,MCULE-7242964518	306.307	CEFMUGLSBKWILV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065076
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)ccc1F	MCULE-4774180811,EMOLS-id_330969791	306.307	KQOAVAFZJAMSQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065077
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)cc(F)c1	EMOLS-id_330971839,MCULE-6329630888	306.307	WIBSVZORTKTWSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065078
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(C(=O)O)c12	EMOLS-id_330971568,MCULE-9007221433	306.307	KHIQPERMUIWXJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065079
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1C(=O)O	MCULE-8698234167,EMOLS-id_330972341	306.307	QZQHJDBRCNCFAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065080
COc1cc(F)c(Cn2nc3CCC(C)c3c2C=O)c(F)c1	EMOLS-id_330983613,MCULE-3168278993	306.307	RAMUXWLNQGIBMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065081
COc1cc(F)c(Cn2nc(C=O)c3C(C)CCc23)c(F)c1	EMOLS-id_331003890,MCULE-6948893787	306.307	KBWDLBNSWPMNJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065082
COC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1F	MCULE-1480827058,EMOLS-id_330969535	306.307	MNGOXAMZPHDYTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065083
c12CN(Cc1nn(CC(F)F)c2C=NO)Cc1ccccc1	EMOLS-id_324356974,MCULE-8121315357	306.311	GZDKMFYPDZUWHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065084
Cc1ccc(cc1)C(C(=O)NCc1nnc2n1CCC2)(F)F	EMOLS-id_318740770	306.311	KZKNZPNMKSWGHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065085
Cc1cc(F)c(c(c1)F)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318569394	306.311	DLIGOPXIYLSHEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065086
Cc1nnc2CC(CNC(=O)Cc3cccc(F)c3F)Cn12	EMOLS-id_317479563,MCULE-3483604683,PC-id_137342385	306.311	SHKJETKYGDYRFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065087
Cc1nnc2n1C[C@H](CNC(=O)Cc1cccc(F)c1F)C2	ZINC22_1772705371	306.311	SHKJETKYGDYRFG-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-065088
Cc1nnc2n1C[C@@H](CNC(=O)Cc1cccc(F)c1F)C2	ZINC22_1772705377	306.311	SHKJETKYGDYRFG-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065089
CCN(C(=O)C1NCc2c1c[nH]n2)Cc1c(F)cccc1F	EMOLS-id_319233736	306.311	HKGLETOCCCTJJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065090
Fc1c(CC(N)CC(=O)N2CCn3nccc23)cc(F)cc1	PC-id_74077682	306.311	ONDNTJVJKCMOFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065091
N[C@@H](CC(=O)N1CCn2nccc12)Cc1cc(F)ccc1F	BindingDB_PC-id_23647144,CHEMBL395546,BindingDB-id_28433,PC-id_23647144	306.311	ONDNTJVJKCMOFN-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065092
O=C(c1ccc(c(c1F)F)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318435963	306.311	ZVDWCWGJFCHEDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065093
O=C(c1cc(C)c(cc1F)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318427509	306.311	GSHFRFRCSVPJGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065094
O=C(c1cc(F)c(cc1F)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318422142	306.311	YPWDOZIXLYJIJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065095
O=C(c1c(F)ccc(c1F)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318742942	306.311	ZTCAKDQAQAJBGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065096
O=C(C(c1ccccc1C)(F)F)NCc1nnc2n1CCC2	EMOLS-id_318740113	306.311	TUKPORKGBKZZNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065097
O=C(C(c1ccc(cc1F)F)C)NCc1nnc2n1CCC2	EMOLS-id_318741761	306.311	DPWGAQPUIMCCPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065098
O=C(Cc1cc(F)c(cc1F)C)NCc1nnc2n1CCC2	EMOLS-id_318696724	306.311	ZGTZOWVXGPNXHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065099
O=C(Cc1cc(F)ccc1F)NC(c1nnc2n1CCC2)C	EMOLS-id_318490684	306.311	NRDKXHUCBNRJRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065100
O=C(C(c1ncccc1C)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318588881	306.311	ITVXAFQAQKKCPA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065101
O=C(C(c1ncccc1C)(F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318719427	306.311	VUDHRHMXCISKDY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065102
O=C(NC(c1nnc2n1CCC2)C)Cc1ccc(c(c1)F)F	EMOLS-id_318408880	306.311	CYWBNDDBSKOSBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065103
O=C(NCCc1nnc2n1CCC2)C(F)(F)c1ccccc1	PC-id_100662420,MCULE-4777865471,EMOLS-id_53752481,ZINC22_225514597	306.311	KIYLMOMWNKHSGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065104
c12c(CCC1C(=O)O)sc(NC(=O)c1ccc(cc1)F)n2	EMOLS-id_27513985,PC-id_44116801,MCULE-5679819024	306.312	PQMFIEZLKDVBJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065105
Fc1ccc(cn1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108083151	306.312	VRNHNNAIRSDLCO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065106
Fc1cccc(n1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_115496319	306.312	FRFPXMVVZLIHPB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065107
Fc1ccc(nc1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_104638138	306.312	BVNQIVWWFWIOHY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065108
Fc1cncc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_104785484	306.312	YCOZUSWSELYANK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065109
Fc1nccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108083148	306.312	YVPZVHAFKLQRST-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065110
O=C(c1cccnc1F)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108090311	306.312	DDGVZIWAABNXKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065111
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)O)c1ccc(F)cc1	CoCoCo_5091168,EMOLS-id_337289289,ZINC22_11920127,PC-id_42281828	306.312	PQMFIEZLKDVBJL-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065112
COc1ccc(cc1CC(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318582510	306.355	IRIJECJTMBONEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065217
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)O)c1ccc(F)cc1	PC-id_42281830,CoCoCo_5091169,ZINC22_11920128	306.312	PQMFIEZLKDVBJL-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-065113
s1c2CCCc2cc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1	PC-id_9207729	306.312	NVBNLPMILOATIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065114
s1c2c(CCC2)c(c1NC(=O)c1c(F)cncc1)C(=O)O	PC-id_64950070	306.312	XORCJAUIPAEQDB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065115
c1(c2CCCc2[nH]n1)C(=O)N1CCNC(=O)C1CC(=O)OC	MCULE-8013255042,EMOLS-id_323257016	306.317	WIHYQXAKELNTMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065116
COC(=O)c1c(NC(=O)N[C@@]23COC[C@@H]2C3)nc2n1CCC2	EMOLS-id_319716382	306.317	ZLIBTTNAEOKCDV-RTHLEPHNSA-N	00100010100000000001010010000000000000000000000000000000	25-01-065117
C1Cn2cccc2C1=NNC(=O)c1noc(c1)c1ccccc1	MCULE-9334511179,EMOLS-id_300882408,PC-id_91942215	306.319	DEAZRBZIRVZGJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-065118
o1nc(C(=O)N/N=C/CCn3c2ccc3)cc1c1ccccc1	PC-id_75402469	306.319	DEAZRBZIRVZGJG-AQTBWJFISA-N	00000010100000110001100010000000000000000000000000000000	25-01-065119
O=C(c1ccccc1Oc1cccnc1)N1CCn2nccc12	ZINC22_671590213,MCULE-2022778975,EMOLS-id_316846957	306.319	MAIIOFSDPSSMRC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-065120
CN(Cc1nnc2n1CCC2)C(=O)CC[C@H]1NC(=O)NC1=O	ZINC22_97740540,PC-id_97937525	306.32	REAXYJBKXFYTIQ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065121
CN(Cc1nnc2n1CCC2)C(=O)CC[C@@H]1NC(=O)NC1=O	ZINC22_97740543,PC-id_97937526	306.32	REAXYJBKXFYTIQ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065122
O=C1NC(=O)C(N1)CCC(=O)N(Cc1nnc2n1CCC2)C	MCULE-1712695702,PC-id_75511718,EMOLS-id_49328444	306.32	REAXYJBKXFYTIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065123
FC(c1nnc(s1)NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318477432	306.33	YFGAKRGUFYYBRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065124
FC(c1nsc(n1)NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318711021	306.33	CPQHRPIJQIUMTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065125
s1c2CCCc2cc1C(=O)NN=Cc1cc(F)c(F)cc1	PC-id_85015561	306.33	DYYGTQAVQJWEQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065126
s1c2CCCc2cc1C(=O)NN=Cc1c(F)cccc1F	PC-id_85015560	306.33	MMVHXACXHDAWJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065127
s1c2CCCc2cc1C(=O)NN=Cc1c(F)cc(F)cc1	PC-id_85015490	306.33	CNRMUXAKRPHQFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065128
COC(=O)c1ccc(COC(=O)c2cc3c(s2)CCC3)o1	ZINC22_4462324,CoCoCo_2840852,MCULE-9572592943,PC-id_7238834,EMOLS-id_11783016	306.334	OVBDWZQVVBGDJS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-065129
N#Cc1cc(F)c(c(c1)F)NCCc1cn2c(n1)SCC2	MCULE-2391402167,EMOLS-id_318441292	306.334	DTVGWUNITTUBIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065130
OC(COc1ccc(cc1)F)CNC1CC(n2c1ncn2)C	EMOLS-id_258181881	306.335	HYSJCUJGPWTOKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065131
c1(NC(=O)c2cc(no2)C)sc2c(CCC2)c1C(=O)OC	MCULE-8534632143,ZINC22_12422417,EMOLS-id_13694419,PC-id_16879837,CoCoCo_5249180	306.337	BBNRMRJOICJHMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065132
c1(NC(=O)c2cc(on2)C)sc2c(CCC2)c1C(=O)OC	CoCoCo_1074416,MCULE-9735098161,PC-id_16953710,EMOLS-id_11487954,TIMTEC437249,ZINC22_9204290	306.337	RVPZOSKGFTWAAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065133
c1(NC(=O)COc2coc(cc2=O)C)sc2c(CCC2)n1	ZINC22_72404678,EMOLS-id_43039387,STOCK7S-28645,EMOLS-id_46567477,MCULE-4158053800,PC-id_60181265	306.337	KRSPFLDKFBKFQB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065134
Cc1ccc(cc1)S(=O)(=O)n1nc(c2c1CCC2)C(=O)O	PC-id_142775658	306.337	WLFAVXKBHKIBDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065135
N#Cc1c(NC(=O)C2CCC(O2)C(=O)O)sc2c1CCC2	PC-id_102687731	306.337	KOOWVBATYSQEQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065136
N#Cc1c(NC(=O)[C@@H]2CC[C@@H](O2)C(=O)O)sc2c1CCC2	PC-id_102944470	306.337	KOOWVBATYSQEQL-VHSXEESVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065137
O=C(Nc1noc(c1)C)COC(=O)c1sc2c(c1)CCC2	CoCoCo_2840740,EMOLS-id_11791545,MCULE-9491225079,PC-id_7291826	306.337	UYIOVESLSSHZCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065138
OC(=O)Cc1csc(n1)CNC(=O)c1occ2c1CCC2	EMOLS-id_319375667	306.337	WEUHTSWUCJJMMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065139
s1c2CCCc2cc1C(=O)OCC(=O)Nc1onc(c1)C	PC-id_18156627	306.337	DSFQZCJQWYJGSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065140
s1c2c(CCC2)c(c1NC(=O)c1oc(nc1C)C)C(=O)O	PC-id_81620910	306.337	KSTQDHNRGNTMJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065141
s1c2c(CCC2)c(c1NC(=O)c1oncc1)C(=O)OCC	PC-id_41149500	306.337	HYQAORCASMEVNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065142
S1Cc2c(noc2NC(=O)c2cc(OC)cc(OC)c2)C1	PC-id_49719041	306.337	ATYUZHJIGRVOCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065143
S1Cc2c(noc2NC(=O)c2cc(OC)c(OC)cc2)C1	PC-id_49720074	306.337	DSHJWCQGUOTZIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065144
S1Cc2c(noc2NC(=O)c2c(OC)cc(OC)cc2)C1	PC-id_49719039	306.337	WOBSBAFLDXYBIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065145
S1Cc2c(noc2NC(=O)c2c(OC)c(OC)ccc2)C1	PC-id_49719040	306.337	ICNMZDFSDOCIID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065146
S1Cc2c(noc2NC(=O)COc2ccc(OC)cc2)C1	PC-id_49719068	306.337	XKTDEXYVWHANGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065147
S1Cc2c(noc2NC(=O)COc2cc(OC)ccc2)C1	PC-id_49719067	306.337	WATXNDSSCVIPQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065148
S1Cc2c(noc2NC(=O)COc2c(OC)cccc2)C1	PC-id_49720086	306.337	MFAHOHKEJDFUIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065149
C1c2cc(nn2CS1)C=C1C2N(C1=O)C(=CS2)C(=O)[O-]	PC-id_91937860	306.34	PIQJFYXOGLAPEL-UHFFFAOYSA-M	00001011100000000001001010000000000000000000000000000000	25-01-065150
c1(C(=O)Nc2ccc(cc2)S(=O)(=O)N)c2CCCc2[nH]n1	EMOLS-id_335080090,MCULE-5196427856	306.34	LESFQRJGRYDYHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065151
c1(C(=O)Nc2sc(c(C)n2)C(=O)OC)c2CCCc2[nH]n1	EMOLS-id_323257779,MCULE-8047963373	306.34	NYZCDIOVYUHFHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065152
c1(C(=O)/N=c/2scc(C(=O)OCC)[nH]2)c2CCCc2[nH]n1	STOCK7S-36233,PC-id_71706709,EMOLS-id_49407167,EMOLS-id_44752828,MCULE-3112689217,ZINC22_95477639	306.34	DXYUMTNXDZTVMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065153
c1(C(=O)Nc2sc(c(C(=O)OC)n2)C)c2CCCc2[nH]n1	ZINC22_96116870,EMOLS-id_48563500,STOCK7S-40680,EMOLS-id_50404133,PC-id_71829285,MCULE-7867651537	306.34	LDZUWQLJYBRQOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065154
COc1cccc(c1C(=O)NCc1sc2c(n1)CCC2)F	EMOLS-id_318646391	306.355	PDONACMVCZTWHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065218
c1(C(=O)NCCc2scc(C(=O)O)n2)c2CCCc2[nH]n1	EMOLS-id_50533963,ZINC22_217170311,MCULE-9444151567,PC-id_86285106	306.34	UDFNHKMABRMRLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065155
c1(NC(=O)c2[nH]cc(c(=O)c2)OC)n(C)nc2CSCc12	STOCK7S-64061,MCULE-2324370935,EMOLS-id_104694756,EMOLS-id_323884007,ZINC22_524735547	306.34	IRKNTBPMAXQKNJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065156
c1(NC(=O)COc2ccccc2OC)nnc2SCCn12	PC-id_16031400,CHEMBL1356504,MCULE-6703873961,EMOLS-id_16349443,CoCoCo_2590513	306.34	WVWWGUWRUKIFPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065157
c1(NC(=O)COc2cccc(OC)c2)nnc2SCCn12	MCULE-8181487240,CoCoCo_2590514,PC-id_16031402,EMOLS-id_16349445	306.34	LIKMQSMXFIUZCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065158
c1(nnc2SCCn12)NC(=O)c1ccc(cc1OC)OC	MCULE-2436587829,EMOLS-id_16349387,PC-id_22582946,CoCoCo_2590485	306.34	SIEXTXRGLUSIEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065159
c1(nnc2SCCn12)NC(=O)c1ccc(c(OC)c1)OC	EMOLS-id_16349389,MCULE-3200398283,ZINC22_16959681,CoCoCo_2590486,PC-id_22582947	306.34	WRYOXDOJYCWRIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065160
c1(nnc2SCCn12)NC(=O)c1cccc(OC)c1OC	EMOLS-id_16349391,MCULE-7425102210,ZINC22_16960757,PC-id_22582948,CoCoCo_2590487	306.34	BTJIYRLUEOUJML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065161
c1(nnc2SCCn12)NC(=O)c1cc(OC)cc(OC)c1	CoCoCo_2590488,PC-id_16031367,MCULE-7169345737,ZINC22_8600548,EMOLS-id_16349393	306.34	NGKFBADUIRHRHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065162
Cc1ccncc1S(=O)(=O)NC(=O)c1cnn2c1CCC2	MCULE-7907456074,ZINC22_842397115,EMOLS-id_316876946	306.34	ZGLRBYSGTONQCQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065163
Cc1cncc(c1)S(=O)(=O)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319082038	306.34	AAKYYTTVYCNPDK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065164
CCc1ncn(c(=O)c1)CC(=O)Nc1onc2c1CSC2	PC-id_121064488	306.34	IVNZRKAAKRRSRX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065165
Cn1c(=O)ccn(CC(=O)Nc2nc3c(s2)CCC3)c1=O	MCULE-2985579822,EMOLS-id_31917722,CoCoCo_4860874,ZINC22_30891456,PC-id_38039287	306.34	IBOUHUDKPRRIOM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065166
COc1ccc(cc1)OCC(=O)Nc1nnc2n1CCS2	CoCoCo_2590515,PC-id_16031404,CHEMBL1336384,ChEMBL-DNDi_CHEMBLF2079-0098	306.34	VERVXNBCABYFSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065167
COC(=O)c1sccc1C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319799739	306.34	BUXLVTGZQJQKNO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065168
CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCn3cncc23)cn1	ZINC22_825513966	306.34	XHWXELWKIQSTHY-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-065169
CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCn3cncc23)cn1	ZINC22_825513970	306.34	XHWXELWKIQSTHY-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065170
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)c1ccccc1	PC-id_90896507	306.34	JFAQDHDRCUAVSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065171
O=C(c1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68439525,SCHEMBL2915234	306.34	CCVRZKKBBIKOFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065172
O=C(c1cnc2n1CCC2)Nc1ncc(s1)C1(O)COC1	EMOLS-id_318834743	306.34	YAFXGYTULTXPEN-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-065173
O=C(c1cnn2c1CCC2)Nc1ncc(s1)C1(O)COC1	EMOLS-id_320141989,MCULE-3067423969	306.34	OXZQZSPHHPBCEJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-065174
COc1ccc(cc1C(=O)NCc1sc2c(n1)CCC2)F	EMOLS-id_318759697	306.355	KNPUMZPWWXHBQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065219
O=C(c1nc2n(c1)CCC2)NCc1nc(c(s1)C)C(=O)O	EMOLS-id_320159449,MCULE-1584337691	306.34	UEJAKBDAICRJAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065175
O=C(c1nn2c(c1)CCC2)Nc1ncc(s1)C1(O)COC1	EMOLS-id_319997982,MCULE-6588709852	306.34	NBSBVJJXJFAJCN-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-065176
O=C(Nc1cc([nH]c1C(=O)O)C)Nc1sc2c(n1)CCC2	PC-id_116173538	306.34	JLBOOBBMUBIDFS-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-065177
[O-]C(=O)C1=CSC2N1C(=O)/C/2=C/c1cc2CSCn2n1	BindingDB_PC-id_91937860,BindingDB-id_293380	306.34	PIQJFYXOGLAPEL-WAPJZHGLSA-M	00001011100000000001001010000000000000000000000000000000	25-01-065178
[O-]C(=O)C1=CS[C@H]2N1C(=O)/C/2=C/c1cc2CSCn2n1	PC-id_134612389,BindingDB-id_397439,BindingDB_PC-id_134612389	306.34	PIQJFYXOGLAPEL-GPWUBDCCSA-M	00001011100000000001001010000000000000000000000000000000	25-01-065179
OC(=O)Cc1csc(n1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_318790094	306.34	QSGPTOJGIKAMPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065180
OC(=O)Cc1csc(n1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_319075669	306.34	NWTNBJXXDILOOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065181
OC(=O)CC(c1nccs1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_318875151	306.34	DTFMXXLLKWDYBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065182
OC(=O)Cn1nnc(c1)CNC(=O)c1sc2c(c1)CCC2	MCULE-8845603388,EMOLS-id_71377975,PC-id_115457543	306.34	CVSZYKIEXVEABB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065183
s1c2CCCc2cc1CNc1ncnc(OC)c1[N+](=O)[O-]	PC-id_80107063	306.34	VBJMBJCYYWDUPE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065184
s1c2CCCc2cc1C(=O)NCCn1nnc(c1)C(=O)O	PC-id_65948911	306.34	UOAAGCZEWAKVBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065185
s1c2c(CCC2)c(c1NC(=O)c1nc([nH]n1)C)C(=O)OC	PC-id_80384999	306.34	RKSYYPABZMWIBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065186
s1c2c(CCC2)c(c1NC(=O)c1[nH]ncc1N)C(=O)OC	PC-id_63102485	306.34	LACGGIRTZDJQEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065187
s1c2c(CCC2)c(c1NC(=O)c1[nH]ncn1)C(=O)OCC	PC-id_80374463	306.34	VRZRLJPGDDHVQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065188
s1c2c(CCC2)c(c1NC(=O)c1[nH]nc(N)c1)C(=O)OC	PC-id_64523075	306.34	SEHDZTMKMXGVQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065189
s1c2c(CCC2)c(c1NC(=O)c1n[nH]nc1)C(=O)OCC	PC-id_80498539	306.34	GDZNISOGXAYRQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065190
S1C2N(C(=O)C2=Cc2nc3SCCn3c2)C(=C1)C(=O)[O-]	PC-id_73455314	306.34	CSLXNGCKQTXQOK-UHFFFAOYSA-M	00001011100000000001001010000000000000000000000000000000	25-01-065191
S1[C@H]2N(C(=O)/C/2=C/c2nc3SCCn3c2)C(=C1)C(=O)[O-]	PC-id_18661372	306.34	CSLXNGCKQTXQOK-WXGCRTCVSA-M	00001011100000000001001010000000000000000000000000000000	25-01-065192
s1c(NC(=O)c2n3CCCc3nn2)c(cc1)C(=O)OCC	PC-id_44006919	306.34	ROYNCCXXDQCPMU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065193
S(=O)(=O)(c1ccc(NC(=O)c2n3CCCc3nn2)cc1)C	PC-id_44016530	306.34	BKHBHNZGHHCPLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065194
S(=O)(=O)(c1c(NC(=O)c2n3CCCc3nn2)cccc1)C	PC-id_44016626	306.34	WOVNXWXLTSOWOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065195
c1(C(=O)Nn2c(=O)cnnc2SC)c2CCCc2n(C)n1	EMOLS-id_320483083,PC-id_84467407,MCULE-7752837599	306.344	YPTDLMCEHVQZFB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065196
CCOC(=O)c1c(/N=C/Nc2[nH]nnn2)sc2c1CCC2	SCHEMBL10375056,PC-id_70353926	306.344	MELURPYEEBYSQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065197
CC(=O)Nc1nc(C(=O)NCc2nnc3n2CCC3)cs1	PC-id_39296712,CoCoCo_4860539,EMOLS-id_31917512,ZINC22_32058997,MCULE-9506381219	306.344	LFLGUMNUAQJAFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065198
N#CCCn1ccc(n1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970761	306.344	VHIKFIQSGIZHSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065199
CC(C(=O)NCC(F)(F)F)NCc1sc2c(c1)CCC2	PC-id_116153369	306.347	UOOIFHWVKISZEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065200
S(c1n2N=C(/C(=N/Nc3onc(n3)C(C)C)/c2nn1)C)C	PC-id_23542636	306.347	HYPKXWPQGOKESU-QPEQYQDCSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065201
S(c1n2N=C(C(=NNc3onc(n3)C(C)C)c2nn1)C)C	PC-id_74061288	306.347	HYPKXWPQGOKESU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065202
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1CO	MCULE-1425853689,EMOLS-id_330993081	306.35	IGTQAUJWXRYRPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065203
COc1ccc(COC(=O)c2cc3c(s2)CCC3)cc1F	PC-id_40147816,EMOLS-id_24005384,ZINC22_32911121,MCULE-8624546500,CoCoCo_2840851	306.352	SDWVLDIBOOSSTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065204
O=C(OCCOc1ccccc1F)c1cc2c(s1)CCC2	CoCoCo_2840798,MCULE-8612978175,EMOLS-id_3558700,PC-id_9109658,ZINC22_7981341	306.352	DTNWHBSXHBTCLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065205
s1c2CCCc2cc1C(=O)c1cc(OC)c(OC)cc1F	PC-id_62865851	306.352	MXIBVCBUCJCCIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065206
CN(c1c(CNC2CC(n3c2ncc3)C)ccc(c1F)F)C	MCULE-3328694343,EMOLS-id_318357103	306.354	IGUKLOKVUYRPRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065207
Cc1cc(NCc2sc3c(c2)CCC3)c(cc1F)[N+](=O)[O-]	PC-id_103591562	306.355	TZQHUUSVOPJHOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065208
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4164287,PC-id_25630372,ZINC22_12953300	306.355	UGDANCHJKIALEX-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065209
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4164288,ZINC22_12953304,PC-id_25630374	306.355	UGDANCHJKIALEX-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-065210
CCN(c1ccccc1F)c1nc2c(s1)CCC2C(=O)O	PC-id_104288138	306.355	ZRURUQNFBDWFRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065211
CCN(c1cccc(c1)F)c1nc2c(s1)CCC2C(=O)O	PC-id_104288236	306.355	FSJIKZNWQPWXAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065212
CCN(c1nc2c(s1)CCC2C(=O)O)c1ccc(cc1)F	PC-id_104288151	306.355	NOWSCHYCMKRRHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065213
CCOC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)F	PC-id_104287583	306.355	AVQJVQMXTSIFJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065214
CCOC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)F	PC-id_104287597	306.355	CRTFEKIPNOQZNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065215
CCOC(=O)C1CCc2c1nc(s2)Nc1ccccc1F	PC-id_104287606	306.355	GOMNTGPOXKFPCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065216
COc1ccc(c(c1)F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318382279	306.355	GEEWCGXYHPODRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065220
COc1ccc(cc1F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318496159	306.355	XEIOLWDKCLTQBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065221
COc1cc(ccc1F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318521158	306.355	JVNMTHJWNCRXNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065222
COc1ccc(CC(=O)Nc2nc3c(s2)CCC3)cc1F	EMOLS-id_24068018,MCULE-5630685779,ZINC22_15637050,PC-id_26723451,CoCoCo_4164343	306.355	ORVWZLGHOHKVOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065223
Fc1ccc(cc1)OC(C(=O)Nc1sc2c(n1)CCC2)C	MCULE-2677226081,EMOLS-id_24007950,PC-id_45837188	306.355	UGDANCHJKIALEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065224
Fc1cc(CNCc2sc3c(c2)CCC3)cc(c1)[N+](=O)[O-]	PC-id_115980355	306.355	SXKQCTNFHPGFRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065225
O=C(c1cccc(c1F)O)NCCc1sc2c(n1)CCC2	EMOLS-id_320228232,MCULE-7817357661	306.355	DCQBDYPJOWOKBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065226
O=C(c1ccc(c(c1)O)F)NCCc1sc2c(n1)CCC2	EMOLS-id_318856074	306.355	YWJTWQLQXUIQEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065227
OC(=O)C1CCc2c1nc(s2)N(Cc1cccc(c1)F)C	PC-id_104287776	306.355	SXTRXQGJICDHFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065228
OC(=O)C1CCc2c1nc(s2)NC(c1ccccc1F)C	PC-id_104288169	306.355	AHTQBXLISNBRMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065229
OC(=O)C1CCc2c1nc(s2)NC(c1ccc(cc1)F)C	PC-id_104288188	306.355	TXZYMVOPLOXTLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065230
OC(=O)C1CCc2c1nc(s2)NC(c1cccc(c1)F)C	PC-id_104288346	306.355	WQGZEUMUFBOYRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065231
OC(=O)C1CCc2c1nc(s2)N(Cc1ccccc1F)C	PC-id_104288349	306.355	KDSLJQLYJAALNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065232
OC(=O)C1CCc2c1nc(s2)N(Cc1ccc(cc1)F)C	PC-id_104288532	306.355	JUWUBLCONOVACK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065233
OC(=O)C1CCc2c1nc(s2)NCCc1ccc(cc1)F	PC-id_104287509	306.355	FVRXJJJXEROKAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065234
OC(=O)C1CCc2c1nc(s2)NCCc1ccccc1F	PC-id_104287549	306.355	FJWTYXMVJILRLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065235
OC(=O)C1CCc2c1nc(s2)NCCc1cccc(c1)F	PC-id_104287954	306.355	DXMUACOZHBEUJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065236
[O-][N+](=O)c1cccc(c1F)CNCc1sc2c(c1)CCC2	PC-id_107349009	306.355	GVJUMCQSADLXBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065237
s1c2c(CCC2)cc1CNCc1cc(F)c([N+](=O)[O-])cc1	PC-id_80158254	306.355	XUADXULCOLOFFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065238
s1c2c(CCC2)cc1CNCc1c([N+](=O)[O-])ccc(F)c1	PC-id_61208360	306.355	ICKLTSUAGVWGJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065239
s1c2CCCc2nc1NC(=O)C(Oc1c(F)cccc1)C	PC-id_43066639	306.355	KTQCFSCYUXILNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065240
N#Cc1ccccc1N(C(=O)c1occ2c1CCC2)C1CCC1	EMOLS-id_278193283	306.358	QNAFKNFNARPORL-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-065241
N#Cc1cccc(c1)N(C(=O)c1occ2c1CCC2)C1CCC1	EMOLS-id_316537238	306.358	YTUJPQFNHKAXLZ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-065242
OC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1ccc[nH]1	PC-id_59180123,SCHEMBL1003791	306.358	BCPGXWHMBAAANG-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-065243
CCNc1ncc(cc1C(=O)Nc1sc2c(n1)CCC2)F	PC-id_108070434	306.359	YJWVDIJXOFOWHU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065244
CCNc1nccc(c1F)C(=O)Nc1sc2c(n1)CCC2	PC-id_105385742	306.359	JYTXXNODGBRWGF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065245
Fc1cncc(NC(=O)NCCc2nc3CCCc3s2)c1	ZINC22_299755545,MCULE-3864940131,PC-id_118766044,EMOLS-id_68881207	306.359	FFCHIASLFZRURH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065246
n1(CC(=O)NCc2ccc(cc2)F)nc2c(CSC2)c1N	ZINC22_26422017,CoCoCo_5090356,EMOLS-id_27513015,PC-id_33677841,MCULE-5685542264	306.359	MLGITYZKNFQOAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065247
s1c2CN(Cc2nc1N)C(C)C(=O)Nc1ccc(F)cc1	PC-id_82194335	306.359	VHTSKYBGDFPNLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065248
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)C(C)C	EMOLS-id_207863037,MCULE-1703369004	306.36	OTKYXJFDMXNQPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065249
c12CN(Cc1nn(CC1CC1)c2C=NO)C(=O)OC(C)(C)C	EMOLS-id_324357485,MCULE-7104836466	306.36	FXIJFESWTQLWPR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065250
c12CN(Cc1nn(CC1CC1)c2C(=O)N(C)C)C(=O)OCC	EMOLS-id_324351338,MCULE-5761589600	306.36	FPWUAQQSKNLDMS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065251
c12CN(Cc1nn(CC1CCC1)c2C(=O)NCC)C(=O)OC	MCULE-7194927442,EMOLS-id_324355681	306.36	JWJHKJJJEZDHRF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065252
c12CN(Cc1nn(CC1CCC1)c2C(=O)NC)C(=O)OCC	EMOLS-id_324350574,MCULE-6930258495	306.36	UBABCQGHILWTGH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065253
c12CN(Cc1nn(CC1CCCC1)c2C=NO)C(=O)OCC	MCULE-6015279708,EMOLS-id_324355437	306.36	BYDVBDOQZUCBLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065254
c12CN(Cc1nn(C)c2C(=O)NC1CC1)C(=O)OC(C)(C)C	MCULE-5411798159,EMOLS-id_324354662	306.36	NNUWVZHDHUZRKP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065255
c12CN(Cc1nn(CC(C)C)c2C(=O)NC1CC1)C(=O)OC	EMOLS-id_324354661,MCULE-4929000921	306.36	VKTJSZUTQSZFCC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065256
c1(C(=O)N2CCN(CC2)C(=O)OCC)c2CCCc2n(C)n1	MCULE-4381548218,EMOLS-id_179745169,PC-id_110389035	306.36	AQWKHKPIALPMMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065257
c1(C(=O)NC2CC2)n(C(C)C)nc2CN(C(=O)OCC)Cc12	EMOLS-id_324356709,MCULE-4042478567	306.36	MOCXSDLKHSRBKN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065258
c1(C(=O)NC2CCN(CC2)C(=O)OCC)c2CCCc2[nH]n1	MCULE-6362335220,EMOLS-id_179744636,PC-id_110388852	306.36	YZWGFVLQYINIOS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065259
c1(C(=O)NC2CCN(C(=O)OCC)CC2)cn2c(CCC2)n1	MCULE-1729250338,EMOLS-id_321296086	306.36	VUUKRISJHOARIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065260
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)C2CCC2)n1	MCULE-5305840438	306.36	MGTGXGVRXMZYDV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065261
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)C2CCC2)n1	MCULE-9697200619,EMOLS-id_316337969	306.36	MGTGXGVRXMZYDV-NSHDSACASA-N	00001010100000000001000010000000000000000000000000000000	25-01-065262
c1(C(=O)NCCOC)cnn2CC(Cc12)NC(=O)C1CCC1	MCULE-5903962415	306.36	BWJBDHZMOQAPHY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065263
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)C1CCC1	MCULE-3004024897,EMOLS-id_317423712	306.36	BWJBDHZMOQAPHY-NSHDSACASA-N	00001010100000000001000010000000000000000000000000000000	25-01-065264
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)CC3CC3)Cc12	EMOLS-id_316325170,MCULE-7462221543	306.36	XRIQXXMNAWACHV-NSHDSACASA-N	00100010100000000001000010000000000000000000000000000000	25-01-065265
CC1CC(CN(C1)C(=O)NC1CC(n2c1ncc2)C)C(=O)O	PC-id_122124069,MCULE-7655522589,EMOLS-id_72944117	306.36	ZUQIKFJWWPOJDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065266
CCC1CCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319775310	306.36	UYIVCDABKWNDPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065267
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@H]1Cc2cncn2C1	ZINC22_585087684	306.36	GUKSTFAXWSILBS-CMPLNLGQSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065268
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1Cc2cncn2C1	ZINC22_585087685	306.36	GUKSTFAXWSILBS-ZYHUDNBSSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065269
CC(CN1CCN(C(C1=O)C)C(=O)c1cc2n(n1)CCO2)C	EMOLS-id_99608125	306.36	KWIPKMARCZAFAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065270
CC(C)NC(=O)C1CCCN(C1)C(=O)c1nn2CCOc2c1	PC-id_91959834	306.36	SHNNERSQDALATM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065271
CC(C)NC(=O)C1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959835	306.36	CTHSGAFPLVVNLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065272
CCOC(=O)C1CCCN(C1)CC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_278816287	306.36	WSECFQWROMUSMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065273
CCOC(=O)C1CCCN(C1)CC(=O)N1CCn2c1ccn2	EMOLS-id_278805601	306.36	DGRURNWETUVNQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065274
CCOC(=O)n1nc2c(c1NC(=O)C1CCC1)CNC2(C)C	PC-id_58015644,SCHEMBL1205753	306.36	SPSADGKRZZGEBO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065275
CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)[C@]1(C)CCCO1	SCHEMBL15256596	306.36	GHHMWITZKUAMDD-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065276
CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCCO1)C	PC-id_89803997	306.36	GHHMWITZKUAMDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065277
Cn1nc2c(c1NC(=O)CN1CCCC[C@@H](O)C1=O)CCC2	ZINC22_644344222	306.36	RLXLNZHZIGORHZ-GFCCVEGCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065278
Cn1nc2c(c1NC(=O)CN1CCCC[C@H](O)C1=O)CCC2	ZINC22_644344224	306.36	RLXLNZHZIGORHZ-LBPRGKRZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065279
Cn1ncc2c1CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2	MCULE-5152654859,ZINC22_818027197,EMOLS-id_316904604	306.36	UORZCTUDQFXAAH-LLVKDONJSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065280
CN(C)C(=O)c1nn(C)c2c1CN(C(=O)CC1(O)CCC1)C2	ZINC22_1565551495,EMOLS-id_313748945	306.36	OLBGXFFGNHQIOM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065281
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)CC1CC1	MCULE-1853189502	306.36	XRIQXXMNAWACHV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065282
COC(=O)c1c(NC(=O)N2CC(C2)(C)CC)nc2n1CCC2	EMOLS-id_319703409	306.36	VGNUOBFBDZXXMS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065283
COC(=O)c1c(NC(=O)N2C(C)CCC2C)nc2n1CCC2	EMOLS-id_319646802	306.36	KQZOHIPELXDLAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065284
COC(=O)c1c(NC(=O)N2CCCCCC2)nc2n1CCC2	EMOLS-id_319666718	306.36	MOSWMSOHQDCBTO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065285
COC(=O)c1c(NC(=O)NC2CC(C2)(C)C)nc2n1CCC2	EMOLS-id_319173676	306.36	KSLUDCVKOUJGRW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065286
COC(=O)c1c(NC(=O)NC2(CC)CCC2)nc2n1CCC2	EMOLS-id_319404047	306.36	AMNSZIWJUULIFA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065287
COC(=O)c1c(NC(=O)NC2(C)CCCC2)nc2n1CCC2	EMOLS-id_319570241	306.36	GXRRIJWSOMLHLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065288
COC(=O)c1c(NC(=O)NC2CCCCC2)nc2n1CCC2	EMOLS-id_319747397	306.36	KALMDYSYOOHIPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065289
COC(=O)c1c(NC(=O)NC(C2CC2)(C)C)nc2n1CCC2	EMOLS-id_319472398	306.36	ODZGJUUECNOSTG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065290
COC(=O)c1c(NC(=O)NC(C2CCC2)C)nc2n1CCC2	EMOLS-id_319172322	306.36	NAXMTGVACOQQQT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065291
O=C(c1cc2n(n1)CCO2)NC1(CCC(CC1)(C)C)C(=O)N	EMOLS-id_111152936	306.36	NRLMZBSZZFUMGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065292
O=C(C1CCCCC1)Nc1c2CNC(c2nn1C(=O)O)(C)C	PC-id_69078983,SCHEMBL4525682	306.36	AQTUIWXIJKROOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065293
O=C(C1(C(=O)O)C(C1(C)C)(C)C)NC1CC(n2c1ncn2)C	EMOLS-id_278689207	306.36	LGFWGGHPBBELFE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065294
O=C([C@H]1CCN1C(=O)OC(C)(C)C)NC1Cn2c(C1)cnc2	EMOLS-id_177275566,MCULE-9848531293	306.36	GUKSTFAXWSILBS-TVKKRMFBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065295
O[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_319229729	306.36	RMASMKAHAJATOK-ZIAGYGMSSA-N	00000010100010000001100010000000000000000000000000000000	25-01-065296
O[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)c1nc2n(c1)CCC2	EMOLS-id_319266934	306.36	MZHUWFAIIBWZRO-CHWSQXEVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-065297
O=C(Nc1n(C)nc2c1CCC2)CN1CCCCC(C1=O)O	MCULE-6832030407,EMOLS-id_316080527	306.36	RLXLNZHZIGORHZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065298
S1c2scc([n+]2C(=O)/C/1=C/c1ccc(N(O)[O-])cc1)C	PC-id_20835295	306.36	GJQNISQKJIJYIS-WDZFZDKYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065299
S1c2scc([n+]2C(=O)C1=Cc1ccc(N(O)[O-])cc1)C	PC-id_73716300	306.36	GJQNISQKJIJYIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065300
c1(C(=O)c2ccccc2)n2CCCc2c(C#N)c1N=CN(C)C	MCULE-9990125367	306.362	KQKRPXZSIRAHTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065301
CC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2	CHEMBL4527978	306.362	IYLZLRHLJPCJMN-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-065302
C=CN(c1ccc2n1CC=C2)ON(c1ccc2n1CC=C2)C=C	PC-id_87664971,SCHEMBL4406301	306.362	AMERIBDPXSAVEX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-065303
C=CN(C1C=Cn2c1ccc2)ON(C1C=Cn2c1ccc2)C=C	SCHEMBL4406303,PC-id_87664972	306.362	QLIHPIHNWLBRLB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-065304
BrC(c1sc2c(CCC2)c1)Cc1ccccc1	PC-id_63530890	307.249	MBAFXURDSOZMKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065870
CN(C)/C=N/c1c(C#N)c2CCCn2c1C(=O)c1ccccc1	CoCoCo_604916,ZINC22_4728847,PC-id_2834657,STOCK1S-02028,EMOLS-id_25845234	306.362	KQKRPXZSIRAHTK-UDWIEESQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065305
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1[nH]ncc1	EMOLS-id_328221045,MCULE-4610423837	306.362	NJCRJONVXVQWFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065306
N#Cc1c2CCCn2c(c1/N=CN(C)C)C(=O)c1ccccc1	CoCoCo_604917	306.362	KQKRPXZSIRAHTK-NDENLUEZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065307
N#CC1(CC(C1)NC(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_318987025	306.362	NWPBITSNGFAUKD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-065308
N#CC1(CC(C1)NC(=O)c1cnn2c1CCC2)c1ccccc1	EMOLS-id_319292755	306.362	KKKJEOLHBOPMNA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-065309
N#CC1(CC(C1)NC(=O)c1nn2c(c1)CCC2)c1ccccc1	EMOLS-id_318836079	306.362	LXJCHOAZKCBSOT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-065310
N#CC1(CC(C1)NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_319065206	306.362	ICALBWMHFLDBLR-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-065311
N#Cc1cccc(c1)C1(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318429392	306.362	QKZHDOVILCXEIX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065312
N#Cc1ccc(cc1)C1CC1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318759532	306.362	KXWMWKMGHMTXKW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065313
N#Cc1ccc(cc1)C1CC1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318758886	306.362	LTPMASQBHGMGFZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065314
N#Cc1ccc(cc1)C1CC1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318815658	306.362	FPGHJGCECUQAKZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065315
N#Cc1cccc(c1)C1(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318878230	306.362	HSMNNVDCKWIVDZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065316
N#Cc1cccc(c1)[C@@H]1C[C@H]1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318450365	306.362	NQKXQRPNDMDOIS-VYROYRMRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065317
N#Cc1cccc(c1)[C@@H]1C[C@H]1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318570597	306.362	ARVPWKKFJAROOJ-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065318
N#Cc1cccc(c1)[C@@H]1C[C@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319130546	306.362	KGOOCNVFASEWRW-JKSUJKDBSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065319
N#Cc1cccc(c1)[C@@H]1C[C@H]1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319978913,MCULE-5085028142	306.362	SGGXDCUOQDPCKM-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065320
N#Cc1ccc(cc1)CN(C(=O)c1n[nH]c2c1CCC2)C1CC1	EMOLS-id_318449567	306.362	KZYHAHMSYIGWRD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-065321
N#C[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1ccccc1	ZINC22_333057765,EMOLS-id_101297640,MCULE-3137532230	306.362	HVBSOQUHCVHQOV-ZBFHGGJFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-065322
O=C(c1c2n(CCC2)c(c1/N=C/N(C)C)C#N)c1ccccc1	PC-id_23906932	306.362	CGKSTOUUVXGAMO-UDWIEESQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065323
CC1NC(=O)C(N(C1C)C(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_319038640	306.363	PQABWGBTEJFYAY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065324
CCN1CCCN(CC1=O)C(=O)NCc1nnc2n1CCC2	EMOLS-id_99921744	306.363	DDBCSZZYYVKZEU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065325
CCNC(=O)Nn1nc(c2c1C(C)(C)NC2)NC(=O)C1CC1	SCHEMBL2921830,PC-id_68441730	306.363	JMLHQHLRRLDSEH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065326
CC(=O)NCc1nnc2n1C(CC2)C(=O)N1CCN(CC1)C	PC-id_134797298	306.363	UAIWJFMVQIZMQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065327
CN(Cc1nnc2n1CCC2)C(=O)N[C@@H]1CCCCNC1=O	PC-id_95134337,ZINC22_65447725	306.363	UFZHOWZGLHCLFC-SNVBAGLBSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065328
CN(Cc1nnc2n1CCC2)C(=O)N[C@H]1CCCCNC1=O	PC-id_95134338,ZINC22_65447728	306.363	UFZHOWZGLHCLFC-JTQLQIEISA-N	00000010100000000101000010000000000000000000000000000000	25-01-065329
CN(C(=O)NC1CCCCNC1=O)Cc1nnc2n1CCC2	PC-id_53505700,MCULE-7076803386,EMOLS-id_35719346	306.363	UFZHOWZGLHCLFC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065330
n12CCCc1nnc2CNC(=O)C1CCCN(CC(=O)N)C1	MCULE-7847193410,EMOLS-id_31627687,PC-id_47000561	306.363	LVWUUIUTNXPIBJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065331
N#Cc1ccc(cn1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_115606335	306.363	RVBVPNAAKDVBEA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065332
N#Cc1ncccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106595764	306.363	HCVMECYYSLJQOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065333
N=CN=C(c1nc2c(n1CC)CN(C2)C(=O)OC(C)(C)C)N	PC-id_118614080,SCHEMBL17380345	306.363	UBYBOVYAGYJUEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065334
NC(=O)CN1CCC[C@@H](C(=O)NCc2nnc3n2CCC3)C1	PC-id_52402229,ZINC22_55415070	306.363	LVWUUIUTNXPIBJ-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065335
NC(=O)CN1CCC[C@H](C(=O)NCc2nnc3n2CCC3)C1	PC-id_52402231,ZINC22_55415072	306.363	LVWUUIUTNXPIBJ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-065336
O=C(C1CCCN(C1)C(=O)N)NC(c1nnc2n1CCC2)C	EMOLS-id_36268868,MCULE-3121444438,PC-id_53523133	306.363	CRRWXWXKQWPDDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065337
O=C([C@@H]1CCCN(C1)C(=O)N)N[C@H](c1nnc2n1CCC2)C	PC-id_95278802	306.363	CRRWXWXKQWPDDY-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065338
O=C([C@@H]1CCCN(C1)C(=O)N)N[C@@H](c1nnc2n1CCC2)C	PC-id_95278803	306.363	CRRWXWXKQWPDDY-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065339
O=C([C@H]1CCCN(C1)C(=O)N)N[C@H](c1nnc2n1CCC2)C	PC-id_95278804	306.363	CRRWXWXKQWPDDY-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065340
O=C([C@H]1CCCN(C1)C(=O)N)N[C@@H](c1nnc2n1CCC2)C	PC-id_95278805	306.363	CRRWXWXKQWPDDY-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065341
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)CCN1CCCCC1	PC-id_68442268,SCHEMBL2923086	306.363	VYOYWTPPPJZSLE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065342
c1(CN(C)c2nccc(c3ccccn3)n2)c2CCCc2[nH]n1	PC-id_72923835,MCULE-4183847884,ZINC22_96164617,EMOLS-id_49172972	306.365	ISHDBYSXVOBDPX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-065343
Cc1nc(c2ccccn2)cc(=NCc2cnc3n2CCC3)[nH]1	ZINC22_1875287212	306.365	YTCHLVBSIGIFRN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-065344
Cn1cc(c2ccnc(/C=C/c3c4c(nn3C)CCC4)n2)cn1	ZINC22_899365766,PC-id_146106585	306.365	BXEHUQMOIAYQJW-VOTSOKGWSA-N	00000010100000100001100010000000000000000000000000000000	25-01-065345
[nH]1nc(c2CCCc12)CN(c1nc(ccn1)c1cccnc1)C	PC-id_74233572	306.365	NSQMIGVAOGCMRQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-065346
Fc1cc(F)cc(c1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_106531787	306.373	STMZYDRHFJXUDC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-065347
s1c(nc2c1CCC2)C(NC1CC1)c1cc(F)c(F)cc1	PC-id_61333318	306.373	PAFLCZZVSKUUKY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-065348
s1c(nc2c1CCC2)C(NC1CC1)c1c(F)cccc1F	PC-id_61333124	306.373	SEKVVISEMGEHCY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-065349
s1c(nc2c1CCC2)C(NC1CC1)c1c(F)ccc(F)c1	PC-id_61335082	306.373	BDHMYGANRNHQOG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-065350
s1c(nc2c1CCC2)C(NC1CC1)c1c(F)cc(F)cc1	PC-id_61334294	306.373	YPYIFRPVRCAWLK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-065351
s1c(nc2c1CCC2)C(NC1CC1)c1c(F)c(F)ccc1	PC-id_63669127	306.373	ZAGJTCSBIVGPIW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-065352
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)C1(F)CC1)C2	EMOLS-id_313736147,ZINC22_1565551615	306.378	IKSUIVRAKKDJPU-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-065353
CC(C)(CC(=O)O)CC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_16482407,MCULE-3740063686,EMOLS-id_50298252,PC-id_27157223	306.38	AFIFHSKIAGQJPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065354
C(C)(C)(C(=O)OCC)C(=O)Nc1sc2CCCc2c1C#N	MCULE-9525113811,EMOLS-id_328157269	306.38	QCAGCZFPPVSNDU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065355
CC(Nc1nc2c(s1)CCC2C(=O)O)CCc1ccco1	PC-id_104288434	306.38	FYFFAGKWIABBBD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065356
CCOC(=O)C1CCc2c1nc(s2)NC(c1ccco1)C	PC-id_104287892	306.38	QKFNJSJOPJYKOU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065357
CCOC(=O)C1CCc2c1nc(s2)N(Cc1ccco1)C	PC-id_104287908	306.38	YMTWKTXQLDRKRM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065358
CCOC(=O)C1CCc2c1nc(s2)NCc1ccc(o1)C	PC-id_104288593	306.38	UULXJBWMPKZUFA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065359
CCOC(=O)C1CCc2c1nc(s2)N(Cc1cocc1)C	PC-id_104288352	306.38	PVNBNUFSYIIYPF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065360
CCOC(=O)C1CCc2c1nc(s2)NCCc1ccco1	PC-id_104288208	306.38	PBIKXIXYJNYHOK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065361
CCOC(=O)c1c(NC(=O)CCCC#N)sc2CCCc12	MCULE-5364706045,EMOLS-id_328162172	306.38	XZWGOQNOTFOVLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065362
CCOC(=O)CCCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328183935,MCULE-8680901060	306.38	JRCJLAMDUCLXKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065363
COc1cc(N=c2scc3n2CCC3)cc(OC)c1OC	ZINC22_1775938112	306.38	IPWSWYPXNTZDNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065364
COC(=O)c1c(NC(=O)C(=C2CNC2)C)sc2c1CCC2	PC-id_116677350	306.38	UBPFOMBIXDQZSH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-065365
C(=O)(Nc1sc2CCCc2c1C#N)CCCCCC(=O)O	EMOLS-id_328049468,MCULE-8010648540	306.38	NJANNJMYRUNYRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065366
O=C(N1CCc2c1cc(s2)C(=O)N1CCOCC1)C1CC1	PC-id_97410580	306.38	RSABLAUFSNXHPQ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-065367
OC(=O)C1CCc2c1nc(s2)NC(c1cc(oc1C)C)C	PC-id_104288369	306.38	ZMBAOCKIRUQOJR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065368
s1c2CCCc2cc1C(=O)OC(C(=O)N(CCC#N)C)C	PC-id_78674904	306.38	SURWVLJBQAEBFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065369
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N(CCC#N)C)C	PC-id_8359489	306.38	SURWVLJBQAEBFE-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-065370
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N(CCC#N)C)C	PC-id_8359492	306.38	SURWVLJBQAEBFE-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065371
s1c2c(CCC2)c(c1NC(=O)C1CC(N)C=C1)C(=O)OC	PC-id_79208581	306.38	IOUPPECZYINSMD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-065372
s1c2c(CCC2)c(c1NC(=O)CNCC#C)C(=O)OCC	PC-id_78908471	306.38	HRIPYPAKDDCHJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065373
s1c2c(CCC2)c(c1NC(=O)C(N)CC#C)C(=O)OCC	PC-id_81770720	306.38	VVGRMNKEEVCAOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065374
s1c2CCCc2c(c1NC(=O)COC(=O)CCCC)C#N	PC-id_7790366	306.38	FNUPWXKUFMIKCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065375
c12CN(Cc1cnn2CCO)C(=O)Cc1c(C)nc(C)s1	ZINC22_215864712,EMOLS-id_49886039,MCULE-6760325329,PC-id_77089823	306.383	CSXBOZQGPLTMFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065376
C1c2c(CN1CC(=O)NCc1cccs1)n(nc2)CCO	EMOLS-id_55629876,MCULE-2413288009,PC-id_91832394	306.383	XULZEAUPMBWQOD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065377
c1(C(=O)N(CCOC)Cc2sccn2)c2CCCc2n[nH]1	MCULE-3965895869,EMOLS-id_82701341,PC-id_119059150,ZINC22_426372536	306.383	WTKFHGYZWHFXLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065378
c1(NC(=O)CCc2c(C)noc2C)n(C)nc2CSCc12	EMOLS-id_316187284,ZINC22_606673809,MCULE-9481940934	306.383	GQCZNGOSRCSYCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065379
c1(NC(=O)C(=O)NCCN(C)C)sc2c(CCC2)c1C#N	EMOLS-id_4733996,ZINC22_6661523,STOCK6S-06237,MCULE-8748443581,CoCoCo_1097576,PC-id_8029906	306.383	IJIWNCYDSNBHBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065380
c1(sc(nc1CC)C)C(=O)N1Cc2c(n(nc2)CCO)C1	ZINC22_216412914,MCULE-1585135828,EMOLS-id_49898097,PC-id_77096792	306.383	ULODMAOCAVOUFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065381
CC1CC(c2n1ccn2)NCc1ncc(s1)C1OCCO1	MCULE-2400091633,EMOLS-id_318535820	306.383	CBLWXRUVCPDCNX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-065382
CC1CC(c2n1ncn2)Nc1ccc(cc1)CS(=O)(=O)C	EMOLS-id_318492042,MCULE-3391785672	306.383	PSIZEZPSPBTQBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065383
Cc1noc([C@H]2C[C@@H](O)CN2Cc2nc3c(s2)CCC3)n1	EMOLS-id_316071215,ZINC22_328638527,MCULE-6126323634	306.383	PCPZRIOTUAMJPC-MWLCHTKSSA-N	00000010100000000001100010000000000000000000000000000000	25-01-065384
Cc1onc(c1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030675	306.383	FGIHGIZFSQPFKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065385
CC(c1nnc2n1CCC2)Nc1ccc(cc1)S(=O)(=O)C	MCULE-8101508459,EMOLS-id_318187277	306.383	LWEFBAUHKUZKBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065386
CCc1nn(cc1CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104289252	306.383	PDTWUYLHRVXNBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065387
CCc1noc(c1C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_99842396	306.383	BNCKAWNNGDZHGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065388
CCC1OCCC(C1)C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_99102734	306.383	HKKORFJASOOLHB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065389
CC(C)c1noc(CCC(=O)Nc2nc3c(s2)CCC3)n1	ZINC22_30891342,PC-id_38039173,MCULE-6744115319,CoCoCo_4860871,EMOLS-id_31917720	306.383	BYOFMYZAEWYZKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065390
CCOC(=O)C1CCc2c1nc(s2)Nc1cc(nn1C)C	PC-id_104288013	306.383	OOPGJFGSAWEAFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065391
CCOC(=O)C1CCc2c1nc(s2)Nc1c(C)n[nH]c1C	PC-id_104287947	306.383	LJLGVZXISKLNBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065392
CCOC(=O)C1CCc2c1nc(s2)Nc1cn(nc1C)C	PC-id_102807722	306.383	DLTPCRNFQYMHEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065393
CCOC(=O)C1CCc2c1nc(s2)Nc1cnn(c1)CC	PC-id_104287939	306.383	XBRALLXTUTXPDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065394
CCOC(=O)C1CCc2c1nc(s2)NCc1ccnn1C	PC-id_104288832	306.383	IXAIQDAGAAXDME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065395
CCOC(=O)C1CCc2c1nc(s2)NCc1ccn(n1)C	PC-id_104289200	306.383	YAACFVULPVLVMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065396
CCOC(=O)C1CCc2c1nc(s2)N(Cc1c[nH]nc1)C	PC-id_104288826	306.383	HXXOZBDGSMHJSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065397
CCOC(=O)C1CCc2c1nc(s2)NC(c1c[nH]nc1)C	PC-id_106218799	306.383	SGAQUFSNAJGMBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065398
CCOC(=O)C1CCc2c1nc(s2)NCc1cnn(c1)C	PC-id_104288367	306.383	YZXQSHYZYHVTSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065399
CCOC(=O)C1CCc2c1nc(s2)NCc1cn[nH]c1C	PC-id_104288493	306.383	XAAQTAGJWRNJQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065400
CCOC(=O)C1CCc2c1nc(s2)NCc1nccn1C	PC-id_104288811	306.383	PDBXITCKCHICQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065401
CCOC(=O)C1CCc2c1nc(s2)N(Cc1ncc[nH]1)C	PC-id_104288931	306.383	KRLIGHXZLMRPFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065402
CCOC(=O)C1CCc2c1nc(s2)NC(c1ncc[nH]1)C	PC-id_116341189	306.383	LRXNNEOTIGCLTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065403
CCOC(=O)C1CCc2c1nc(s2)NCCc1cnc[nH]1	PC-id_104288845	306.383	ZVLLTYWEYNOMPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065404
CCOC(=O)C1CCc2c1nc(s2)NCCc1ncc[nH]1	PC-id_116341204	306.383	GVKWHQPHWMUTEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065405
CCOC(=O)C1CCc2c1nc(s2)NCCn1cccn1	PC-id_104288472	306.383	LGQXBOGAZRWZHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065406
CCOC(=O)C1CCc2c1nc(s2)NCCn1cncc1	PC-id_104288529	306.383	FWELETANFDTUJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065407
CN1N=C(CCC1=O)C(=O)NCCc1nc2CCCc2s1	PC-id_91830128,ZINC22_244831482,EMOLS-id_55614299,MCULE-7088594392	306.383	UEOMVVBWQIJURA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-065408
CN(c1cccc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_318365819	306.383	AOKRGOXOENMDQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065409
CN(C(=O)Nc1sc2c(n1)CCC2)Cc1c(C)noc1C	EMOLS-id_318574635	306.383	BDOZYJONXQDBIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065410
CN(S(=O)(=O)N1CCn2c1ncc2)CCc1ccccc1	MCULE-7764650574,EMOLS-id_320014261	306.383	KKJAXHZQVIZWRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065411
COc1cc(nn1C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318527986	306.383	SAICHFLXXSLYOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065412
COc1cnc(c(n1)OC)C(c1sc2c(c1)CCC2)NN	PC-id_105332261	306.383	RTOJDKXOLWGEQX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065413
COc1nn(cc1C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_318734667	306.383	YRYVYKMCAHDOSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065414
COCc1nc(c(s1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319437428	306.383	XVBXQCONFQTLMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065415
COC(=O)c1sccc1CN(C)Cc1nnc2n1CCC2	EMOLS-id_49104978,PC-id_84586604,MCULE-1508485445,ZINC22_88546773	306.383	ZOSPXXXLLPOTCZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065416
Nc1ccc(CCNS(=O)(=O)c2cnc3n2CCC3)cc1	ZINC22_225427492,MCULE-9594064255,PC-id_100628134	306.383	STECUMBBBCWLTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065417
N#CC1(CCC1)N(S(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_97839909	306.383	ISXMUHZSUYRGBJ-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-065418
NC(c1ccccc1)CNS(=O)(=O)c1cnc2n1CCC2	PC-id_121701043	306.383	HQEJOYPXEZXUCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065419
N#Cc1c(NC(=O)C(C2CCOCC2)C)nc2n1CCS2	EMOLS-id_98086048	306.383	ILTPFQOAMVAYEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065420
N#Cc1c(NC(=O)CCC2CCCCO2)nc2n1CCS2	EMOLS-id_99354454	306.383	CMXJJNVROJQRFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065421
N#Cc1c(NC(=O)CCC2CCOCC2)nc2n1CCS2	EMOLS-id_101052619	306.383	CBAOOWPYRIPBIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065422
O=C(c1nn2c(c1)OCC2)Nc1scc(n1)CC(C)(C)C	EMOLS-id_318495695	306.383	CFTXTRFPYJVRFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065423
O=C(Cc1c(C)noc1C)NCCc1nc2n(c1)CCS2	EMOLS-id_99821017	306.383	WMBVNXYQKFCLQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065424
O=C(CCn1c(C)csc1=O)NCc1cnc2n1CCC2	EMOLS-id_319288564	306.383	NKJGRXGPWTTYAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065425
O=C(CCn1c(C)csc1=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319516268	306.383	AIPBUEAVURBDAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065426
O=C(Cn1c(=O)sc(c1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319941639,MCULE-4556357516	306.383	QZRXGJFFZYKPDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065427
OCCn1ncc2c1CN(C2)C(=O)Cc1nc(sc1C)C	PC-id_118777486	306.383	ZSOFKYOUEQIYQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065428
O[C@H]1C[C@@H](N(C1)Cc1sc2c(n1)CCC2)c1onc(n1)C	MCULE-4083171195,EMOLS-id_316044469	306.383	PCPZRIOTUAMJPC-GXSJLCMTSA-N	00000010100000000001100010000000000000000000000000000000	25-01-065429
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1cnoc1C	EMOLS-id_319494589	306.383	SYMQOSWEXOJRQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065430
O=C(N(Cc1nocc1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318590071	306.383	BATWFFORMIGVDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065431
OC(=O)C1CCc2c1nc(s2)NCc1c(C)nn(c1C)C	PC-id_104289013	306.383	KKOBUCLKEWEGJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065432
OC(=O)C1CCc2c1nc(s2)NCCCc1cn[nH]c1C	PC-id_104288577	306.383	LYLDWFIOJKOLRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065433
OC(=O)C1CCc2c1nc(s2)NCCCCn1cncc1	PC-id_104288273	306.383	XKLZRAKIDPATIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065434
O=S(=O)(Cc1ccccc1)NCCc1nnc2n1CCC2	MCULE-3829056795,EMOLS-id_31950117,PC-id_45821878	306.383	DVPMPCFDCDFYDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065435
s1c2c(CCC2)cc1CNc1c(n(CC)c(=O)[nH]c1=O)N	PC-id_61208569	306.383	QYCJOJCFNAHVHQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065436
s1c2c(CCC2)cc1CNc1n(nc(c1[N+](=O)[O-])C)CC	PC-id_66011035	306.383	KVVSDBDXBKXUEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065437
s1c2c(CCC2)cc1CNc1n(nc(c1[N+](=O)[O-])CC)C	PC-id_66014584	306.383	IARYNIJQGFKCTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065438
s1c(CNC(c2n3CCCc3nn2)C)ccc1CC(=O)O	PC-id_82887349	306.383	NVSXSKUAIBIKJX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065439
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(cc1)C	PC-id_16588355	306.383	AIZRSHHNTVJIBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065440
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(cccc1)C	PC-id_65661957	306.383	ZURMRGACMDLKKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065441
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1c(cccc1)C	PC-id_65662496	306.383	IMWBHNLMIUSGJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065442
c12SCCn1cc(CNC(=O)Nc1cnn(C(C)C)c1)n2	EMOLS-id_68918766,ZINC22_299776031,MCULE-9695933546,PC-id_118784257	306.387	NDSWIVPJQFACQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065443
Cc1csc(CNC(=O)N(C)Cc2nnc3n2CCC3)n1	PC-id_71893483,ZINC22_89705606,MCULE-4081613653,EMOLS-id_45753800	306.387	IZDJTKHTGPUCBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065444
Cc1nc(CNC(=O)N(C)Cc2nnc3n2CCC3)cs1	EMOLS-id_45753784,MCULE-8334701147,ZINC22_89712458,PC-id_71893492	306.387	ICOUDFNJHFCDCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065445
Cc1nnnn1CCC(=O)NCCc1nc2CCCc2s1	PC-id_118790523,ZINC22_299799125,EMOLS-id_68931165,MCULE-8126390853	306.387	QQESHVNMLARUSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065446
CC(c1cnc(s1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319666411	306.387	OPSLXYNADIOVAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065447
CCc1nc(sc1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319593000	306.387	NWAKXXHVNCGFDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065448
CCCc1cnc(s1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319664817	306.387	OAVOTJIZSYBQKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065449
CCCc1csc(n1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319533912	306.387	HINZTCIKHHFLCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065450
CC(Cc1nsc(n1)NC(=O)NC1CCn2c1ncc2)C	EMOLS-id_319634112	306.387	XFWVVHCIRGIIQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065451
CC(CCc1nnc(s1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_316781070	306.387	GOFRYZQFOFDZQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065452
CCCCCc1nnc(s1)NC(=O)N1CCn2c1ncc2	EMOLS-id_320044267,MCULE-5674684099	306.387	FZDYOUPCUKLFME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065453
CC(C)(NC(=O)NCc1nnc2n1CCC2)c1nccs1	ZINC22_95397946,EMOLS-id_48236270,PC-id_75372004,MCULE-6574607149	306.387	GMSNSJQJCNSHFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065454
CNc1snc(c1C(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_318030284	306.387	PITMDGONUQLQFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065455
NCCc1scc(n1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_66388286,MCULE-3676452115,EMOLS-id_302663379	306.387	DIHKPLWYVPRJDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065456
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ncsc1C(C)C	EMOLS-id_319569677	306.387	UZWNELISTFQLEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065457
O=C(NC1CC(n2c1ncc2)C)Nc1snc(n1)C(C)C	EMOLS-id_319687235	306.387	IVMDEZFURMGGMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065458
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1ncn(n1)C	EMOLS-id_102005661	306.387	UMTPXWSITKJGEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065459
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1nncn1C	EMOLS-id_102000069	306.387	STRRTAQWIPSNPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065460
O=C(N(Cc1nnc[nH]1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007152	306.387	FZVUGUKAJYHPSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065461
O=C(NC(c1n[nH]cn1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005697	306.387	FBVYDLGKTOYDJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065462
s1c(nc(C(=O)N(Cc2n3CCCc3nn2)C)c1)CCN	PC-id_66389876	306.387	QHQAPXBFZUZWGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065463
s1c(nc(C(=O)NC(c2n3CCCc3nn2)C)c1)C(N)C	PC-id_66388478	306.387	MVBZAAWUEUUBSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065464
s1c(nc(C(=O)N(Cc2n3CCCc3nn2)C)c1)C(N)C	PC-id_66390065	306.387	XQVGGQJYKAFSBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065465
CCNC(c1sc2c(n1)CCC2)(CCCC(F)(F)F)C	PC-id_116535738	306.39	BSVDXSSBJMRNKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065466
CC(c1sc2c(n1)CCC2)NCC(c1ccccc1F)O	PC-id_109908736	306.398	GGQNVZDQMCLNPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065467
Fc1ccc(cc1)C(CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908420	306.398	YMNJXCNNKSFDDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065468
NNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)OC	PC-id_105292995	306.398	MRRNUVLFMWXPKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065469
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1F)OC	PC-id_105334246	306.398	IOFXBIYKAJVWMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065470
OCc1cc(CNC(c2sc3c(n2)CCC3)C)ccc1F	PC-id_110017318	306.398	GPYDBIDATQWRNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065471
s1c2CCCc2nc1C(NCC)c1cc(F)c(OC)cc1	PC-id_65096363	306.398	KJRPYNPMMHWPBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065472
s1c2CCCc2nc1C(NCCOC)c1ccc(F)cc1	PC-id_62542096	306.398	VUOKAUMQRCMHRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065473
s1c2CCCc2nc1C(NCCOC)c1cc(F)ccc1	PC-id_62542260	306.398	WPQKWHNDNMEFRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065474
s1c2CCCc2nc1C(NCCOC)c1c(F)cccc1	PC-id_62541750	306.398	DQIBJGAVJDMYFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065475
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1CCCOC1	EMOLS-id_330978751,MCULE-9589915196	306.4	WXPYGHIDVLVPKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065476
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1CCOCC1	MCULE-6310925342,EMOLS-id_330978239	306.4	ZBGLLJZJUVMYNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065477
CCc1sc2c(c1C(=O)c1cccs1)CCC2C(=O)O	SCHEMBL10746869,PC-id_13588836	306.4	ZBWDFEOKDSPWGC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065478
CCOC(=O)Cn1c(C)c2c(c1C)C(CC2(C)C)(C)C(=O)N	SCHEMBL11338342,PC-id_12894334	306.4	FUYGPVSERBOVMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065479
OC(=O)C1CCc2c1sc(c2C(=O)c1ccc(s1)C)C	PC-id_20213622,SCHEMBL10747438	306.4	SRICFAIOMMKPMH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065480
s1c2CCCc2cc1C(=O)c1sc(cc1)CC(=O)OC	PC-id_82884720	306.4	ZRTXGGBLMYIRAA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065481
s1c2CCCc2cc1C(=O)OCC(=O)c1sc(cc1)C	PC-id_8487667	306.4	HIHBWWRXQUTMJE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065482
c12CN(Cc1nn(CC1CCCC1)c2N)C(=O)OC(C)(C)C	EMOLS-id_324338278,MCULE-8995385920	306.403	OAPXZULNIGLVKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065483
c12CN(Cc1nn(CC1CCCCC1)c2CN)C(=O)OCC	MCULE-8461829788,EMOLS-id_324346223	306.403	RQNLVCKPSZQVNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065484
c1(C(=O)N2CCC(CC2)COC)cc2n(C[C@@H](N(C)C)C2)n1	MCULE-1686823822,EMOLS-id_316328246	306.403	FHJRGBGLGZPDSI-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065485
c1(C(=O)N2CCCC(O)(CN(C)C)CC2)c2CCCc2[nH]n1	MCULE-5468818021,BDE-30844444,EMOLS-id_48376978,PC-id_110098119	306.403	WFLRZYJXJSRGGG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065486
c1(C(=O)NCCCCCCNC(=O)C)c2CCCc2n(C)n1	PC-id_84466192,EMOLS-id_320481038,MCULE-5710397993	306.403	UHMLADOGQOQDOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065487
c1(C(=O)NCCCN2CCCCC2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316335966,MCULE-7336508133	306.403	WJUQXJNFHPFCJV-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065488
c1(C(=O)NCCCN2CCCCC2)cc2n(CC(OC)C2)n1	MCULE-3911318991	306.403	WJUQXJNFHPFCJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065489
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NC	PC-id_7474985,CoCoCo_2590251,ChEMBL-DNDi_CHEMBLF1830-0022,EMOLS-id_16349097,MCULE-5287651658	306.403	JLSHLJAOAPIIAP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065490
Cc1c2n(CCO2)nc1C(=O)NC1CC(NC(C1)(C)C)(C)C	PC-id_91959955	306.403	GENZFNHPCYXFLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065491
Cc1ccsc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218593,ZINC22_2638676,EMOLS-id_11861328,PC-id_2101521,MCULE-2345563337	306.403	BLUINCNHXQTCGP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065492
CC1CN(CCN1CC(O)(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_101342024	306.403	CMBDHXKBFIGKGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065493
CC1CN(CCN1CC(O)(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101342051	306.403	LHQOYEJSOKUADJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065494
CC1CN(CCN1CC(O)(C)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111939001	306.403	PVAAJPVRSQTSML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065495
CC1CN(CCN1C(=O)c1n[nH]c2c1CCC2)CC(O)(C)C	EMOLS-id_111435215	306.403	BUPVUXKLAHRDME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065496
CC1OCCC(C1)CCNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101366182	306.403	LFLDGZRIOKYWJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065497
CCC1(CCOCC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101382268	306.403	HZGOJBBPGSRJEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065498
CCC1OC(CC)CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_102012141	306.403	YOPXIHZQFFPOCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065499
CC(C1OCCCN(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101572890	306.403	AYPLWJPYUVPRHI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065500
CC(CC1CCCCN1C(=O)NC1CC(n2c1ncc2)C)O	EMOLS-id_101574873	306.403	MPCGAXRGYKOSBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065501
CCC(C1CCOCC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417127	306.403	VAIHBUUWXPZESO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065502
CC(CC1COCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101415705	306.403	AXUPKPFSFSMSCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065503
CC(CN1CCOC(C1)CNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98346515	306.403	CHSSUQPAXXPXQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065504
CC(C)n1nc(CN(C)C)c2c1CN(C(=O)C1CC(O)C1)C2	ZINC22_1565553727,EMOLS-id_313733847	306.403	CLNYGOFMSHMRPT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065505
CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@H]1CCOC1)C2	ZINC22_1565552439	306.403	UFCBTIDNCUFPLX-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065506
CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]1CCOC1)C2	ZINC22_1614935794	306.403	UFCBTIDNCUFPLX-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065507
CC(C)n1nc(CN(C)C)c2CN(Cc12)C(=O)C1CCOC1	EMOLS-id_313736918	306.403	UFCBTIDNCUFPLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065508
CC(COC1CCN(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101418684	306.403	ZIFOOUIMLMBFJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065509
CC(C(=O)NC1CCCCC1)N1Cc2c(C1)n(nc2)CCO	EMOLS-id_55631016,PC-id_91832560,MCULE-6114450159	306.403	BNZDVPPLMGQAFN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065510
CCOCC1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572767	306.403	VIANMDDJNDHBSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065511
CCO[C@@H]1CCCC[C@H]1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101423049	306.403	ZYQKPFJBUVOHNZ-FKZOYECMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065512
CN(C)C[C@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_257322317	306.403	WFLRZYJXJSRGGG-INIZCTEOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065513
CN(C)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_257322318	306.403	WFLRZYJXJSRGGG-MRXNPFEDSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065514
CN(C(CN1CCOCC1)(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_101834407	306.403	UNQKFFQJEJRIQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065515
CN(C(CN1CCOCC1)(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101834410	306.403	HEIOQXMXQTZLSI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065516
COC1C(C)C(C1(C)C)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101368399	306.403	NCUAZOJPXXXOFB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065517
COC1(C)CC(C1(C)C)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101379178	306.403	RXPFUBBAMHZVKW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065518
COC1(CCCCC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101384581	306.403	OKPKTFVWTMWTQS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065519
COC1CCC(CC1)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417184	306.403	PJXFLJJWWWGZCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065520
COC1(C)CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574864	306.403	OFVSCTHVFIVHJR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065521
COCC1CCC(CC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101703644	306.403	FBXNYIQGVAFWGL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065522
COCC1(C)CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420334	306.403	MCLPISOCKGUSHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065523
COCC(C)(C)N1CCN(C(=O)c2cnn3c2CCC3)CC1	ZINC22_333256922,MCULE-3423418201,EMOLS-id_102128650	306.403	IDHKYMQRXRHAHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065524
COCC(N1CCN(CC1)C(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_102128644	306.403	DSEDBLOZPKEDFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065525
COC(=O)NCCCn1nc(c2c1CCC2)[C@H](NC1CC1)C	SCHEMBL17013340,PC-id_118313474	306.403	CGQAUYRKPVGRRF-LLVKDONJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065526
CSc1cccc(c1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287490	306.403	AZYFWLMGOJQGFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065527
CSc1ccc(cc1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287523	306.403	UBVUOUGNBCYGNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065528
CSc1ccccc1Nc1nc2c(s1)CCC2C(=O)O	PC-id_107647037	306.403	MSQNCVTWKSOVHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065529
NC(=O)c1c2c(CCC2)sc1NC(=O)Cc1sccc1	BindingDB-id_79646,MCULE-7909654075,PC-id_2115372,PD109754,EMOLS-id_42613639,CHEMBL1337299,ZINC22_2652042,ChEMBL-DNDi_CHEMBL1337299,BindingDB_PC-id_2115372	306.403	DCXPHSZGIVQNHS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065530
OC1CCCCC1CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101577000	306.403	JRWNQLJUXZSSMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065531
O=C(c1cccc(c1)S(=O)C)Nc1sc2c(n1)CCC2	EMOLS-id_318384088	306.403	GXESUWDFHMIGFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065532
O=C(c1ccccc1S(=O)C)Nc1sc2c(n1)CCC2	EMOLS-id_318640253	306.403	CPITXTPYJQHIPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065533
O=C(c1ccc(cc1)S(=O)C)Nc1sc2c(n1)CCC2	EMOLS-id_318660277	306.403	VKDSHYGXRQOEMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065534
OCC1CCCN1CCCCNC(=O)c1n[nH]c2c1CCC2	PC-id_112355384	306.403	QILLQTWJGHFLHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065535
OCCCCCN1CCN(CC1)C(=O)c1nc2n(c1)CCC2	EMOLS-id_318970021	306.403	RJOSDTNUHZJREC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065536
OCCCCCN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319305146	306.403	ATSADSOWEAXOQQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065537
O=C(CCC(=O)c1cccs1)Nc1nc2c(s1)CCC2	EMOLS-id_25638915,ZINC22_23040843,MCULE-1934557961,CoCoCo_4164003,PC-id_30796765	306.403	PWUHSHASQVRJHM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065538
O=C(C(CN1CCOCC1)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319986750,MCULE-4878316312	306.403	IUWOEGPCMDFBNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065539
OC(CN1CCC(CC1)C)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111422528	306.403	ZPASVTLYKGKKKB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065540
O=C(N1Cc2c(C1)nc([nH]2)CN1CCCCC1)OC(C)(C)C	PC-id_112719895	306.403	NHPDBXALILTYFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065541
O=C(N1CC(C)(C)OC(C1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101421624	306.403	YCITWJOWWWITLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065542
O=C(N1CCOC(C1)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101421699	306.403	OLRLZFGPHYZNKL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065543
O=C(NC1CC(n2c1ncc2)C)NC1CCOC(C1)C(C)C	EMOLS-id_101381839	306.403	CIPOWVLPGYQQEH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065544
O=C(NC1CC(n2c1ncc2)C)NCC1(C)CCCCC1O	EMOLS-id_101579094	306.403	AJAGZHJWQGYWFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065545
O=C(NC1CC(n2c1ncc2)C)NCC1CCOC(C1)(C)C	EMOLS-id_101423079	306.403	DDMCVIQMBKGVLP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065546
O=C(NC1CC(n2c1ncc2)C)NCC1(O)CCCC1(C)C	EMOLS-id_101572914	306.403	UJCOYJAAJWRLNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065547
O=C(NC1CC(n2c1ncc2)C)NCC1(O)CCCCCC1	EMOLS-id_101579220	306.403	NRRSQLKYRNFNCY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065548
O=C(NC1CC(n2c1ncc2)C)NCC(C1CCCCC1)O	EMOLS-id_101414221	306.403	OPEDWZMOGVLHNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065549
O=C(NC1CC(OC1(C)C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101372728	306.403	ZORVJVYPMVYYDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065550
s1c2c(CCC2)cc1CNCC1C(=O)N(C(=O)[N+](=C1)C)C	PC-id_76895633	306.403	SWRXYDSPZFLHNT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-065551
s1c2CCCc2cc1C(=O)NNC(=O)c1sccc1C	PC-id_27684411	306.403	XGUPLRZBPUDACS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065552
s1c2CCCc2cc1C(=O)NNC(=O)c1sc(cc1)C	PC-id_27684412	306.403	WNIDJTSRLMJDON-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065553
s1c2CCCc2cc1C(=O)NNC(=O)Cc1ccsc1	PC-id_51166592	306.403	JSGKBETVTRCMIM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065554
S1Cc2c(noc2NC(=O)c2c(SCC)cccc2)C1	PC-id_49719097	306.403	VJBGIKFRVMDRDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065555
S1Cc2c(noc2NC(=O)CCSc2ccccc2)C1	PC-id_49719002	306.403	JGDXIHUOVXVLTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065556
S1Cc2c(noc2NC(=O)CSCc2ccccc2)C1	PC-id_49719073	306.403	LGQJRSKZKJBRJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065557
c1(NC(=O)CSCc2ccccc2)nnc2SCCn12	CoCoCo_2590523,EMOLS-id_16349463,ZINC22_17189563,PC-id_22582971,MCULE-9180343991	306.406	CXPLUVDVGNGJNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065558
c1(nnc2SCCn12)NC(=O)c1ccccc1SCC	MCULE-1832603100,PC-id_22582995,ChEMBL-DNDi_CHEMBLF2079-0156,EMOLS-id_16349525,CoCoCo_2590564	306.406	GHZOGVFYDJYGFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065559
O=C(c1cnc(s1)NC1CC1)Nc1sc2c(n1)CCC2	EMOLS-id_278498283	306.406	MVZAFZJAWQPGTR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065560
s1c2CCCc2cc1C(=O)Nc1n(ncc1C(=S)N)C	PC-id_79499015	306.406	DOTGBTITUNFAQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065561
CC([C@H]1CN(CCN1C)C(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_320158956,MCULE-5264567978	306.407	XEEJFIYQISFZPB-WXRRBKDZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065562
CCNC(=NCc1nnc2n1CCC2)NCC1(C)CCCO1	PC-id_109595528	306.407	LWYSMXZWVWSREW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065563
CN1CCC(CC1)(C)CNC(=O)NCc1nnc2n1CCC2	EMOLS-id_99084056	306.407	XEPNMYADVOYCDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065564
CN1CCCC(C1)CN(C(=O)NCc1nnc2n1CCC2)C	EMOLS-id_99279388	306.407	PIBLOEIGCMPUJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065565
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2N	PC-id_68596680,SCHEMBL3325712	306.407	ANRSDTNGRLCXQE-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065566
CN=C(NCc1nnc2n1CCC2)NCCCOCC1CC1	PC-id_111020507	306.407	MZCQCCPLBDXXGN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065567
CN=C(N(CCOCC1CC1)C)NCc1nnc2n1CCC2	PC-id_109651633	306.407	PIBKHYLPWUPDHN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065568
COC1CC(C1(C)C)NC(=NC)NCc1nnc2n1CCC2	PC-id_120049891	306.407	ZGHFFZVVDHLQLN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065569
COCC1CCN(C1)C(=NCc1nnc2n1CCC2)NCC	PC-id_111735657	306.407	DKLOWUGXIWLXAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065570
O=C(N1C(c2[nH]nc(N)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_77528777	306.407	ANRSDTNGRLCXQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065571
O=C(NC(c1nnc2n1CCC2)C)NCC(N(C1CC1)C)C	EMOLS-id_98764644	306.407	GYDHUCDTNROUIR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065572
c12n(C)nc(C)c1sc(NCc1cn3c(SCC3)n1)n2	PC-id_72847094,EMOLS-id_48431646,MCULE-3124859736,ZINC22_95499741	306.41	SEZJKRXLZZCRLE-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-065573
c1(c2CCCc2sc1NC(=O)C)C(=O)NC1CCCCC1	MCULE-5349277655,EMOLS-id_13330282,TIMTEC586506,CoCoCo_1069332,PC-id_17173019,ZINC22_12379560	306.423	YZYQIPGIYVCAIV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065574
c1(NC(=O)CC2CCCCC2)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348459,MCULE-6495898495,PC-id_84418172	306.423	RRFFJPARNUTOCJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065575
c1(NC(=O)CCC2CCCC2)sc2c(CCC2)c1C(=O)N	CoCoCo_6452743,EMOLS-id_15293242,MCULE-7271845977,ZINC22_28225411,SCHEMBL8289501,PC-id_35523635	306.423	RCDOLEKLXNUHBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065576
Cc1ccc(o1)C(CNC(c1sc2c(n1)CCC2)C)(O)C	PC-id_109908790	306.423	GOIXWTQYBCUSBB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065577
Cc1oc(c(c1)C(CNCc1sc2c(n1)CCC2)(O)C)C	PC-id_109948657	306.423	LOJBHVHPPIXERW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065578
CCCCCN(c1sc2c(c1C#N)CCC2)CCC(=O)O	PC-id_95507813	306.423	XMAYYWDIGXUUKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065579
CCCCN(c1sc2c(c1C#N)CCC2)CC(C(=O)O)C	PC-id_112479447	306.423	DTCAITDEFLWCGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065580
CC(C(=O)N1CCCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_316752596,MCULE-8157638659	306.423	PQTOTVDCIANJGW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065581
C[C@H](NC(=O)c1cc2c(s1)CCC2)C(=O)N1CCCCC1	ZINC22_108214377	306.423	PQTOTVDCIANJGW-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-065582
C[C@@H](NC(=O)c1cc2c(s1)CCC2)C(=O)N1CCCCC1	ZINC22_193609298	306.423	PQTOTVDCIANJGW-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065583
CC(NC(c1sc2c(n1)CCC2)C)CC(c1ccco1)O	PC-id_109908808	306.423	WZPTVHGPMUIFDZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065584
CCNC(=O)C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_86979889	306.423	TWSIOSCCLLXVQS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065585
CCOC(=O)C1CCc2c1nc(s2)N(C1CC1)CC1CC1	PC-id_104288972	306.423	ZXTVNUWASDSUEF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065586
CCOC(=O)C1CCc2c1nc(s2)NC(C1CC1)C1CC1	PC-id_104288498	306.423	UCHNAQQENZVKCL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065587
CCOC(=O)C1CCc2c1nc(s2)NCC1(CC1)C1CC1	PC-id_105669566	306.423	CEFRIGNCDAJRNE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-065588
CC(=O)NCC1CCN(C(=O)c2cc3c(s2)CCC3)CC1	MCULE-3814352668,PC-id_71941292,EMOLS-id_44496293,ZINC22_48352643	306.423	MFTIKDHFRSTUIM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065589
CN(C(=O)C1CCN(CC1)C(=O)c1sc2c(c1)CCC2)C	PC-id_86908010	306.423	KKPZFENLNNXYQP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065590
CNC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	EMOLS-id_16349119,PC-id_22582889,CoCoCo_2590265	306.423	QELYOGUPUPPMFD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065591
N1(C[C@H]([C@H](N2CCCC2)C1)O)C(=O)c1cc2c(CCC2)s1	EMOLS-id_249733,PC-id_110108108,MCULE-3489515881,ZINC22_257215101,BDE-32162799	306.423	CORSOCBRWLSQNQ-CHWSQXEVSA-N	00000010100000000000100010000000000000000000000000000000	25-01-065592
N#Cc1c(sc2c1CCC2)N(CC(C(=O)O)C)CC(C)C	PC-id_112479544	306.423	AGBROWYKECHAGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065593
N#Cc1c(sc2c1CCC2)N(CCC(=O)O)CCC(C)C	PC-id_95508285	306.423	VQXVSTQFANVPEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065594
O=C1CCC(C(C1)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181770	306.423	IUDULPXXOPYELS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065595
O=C(C1CCC(=O)C(C1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181782	306.423	KJMPAJYBNVQKEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065596
O=C(N1CC(C1)(C)N1CCOCC1)c1sc2c(c1)CCC2	MCULE-6551741423,EMOLS-id_320258382	306.423	KZRJNYNQNAKWCW-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-065597
O=C(NC1CCCC1)CCNC(=O)c1sc2c(c1)CCC2	PC-id_86828816	306.423	VFPZHZMIILHEJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065598
O=C(Nc1sc2c(n1)C(CC2)(C)C)CC1CCC(=O)C1C	EMOLS-id_102164185	306.423	QGMKZWZEJIBXSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065599
s1c2c(CCC2)cc1CNC1CC(=O)N(C(CC)C)C1=O	PC-id_61207779	306.423	RCMXYIMYPTYFCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065600
s1c2CCCc2cc1C(=O)NNC(=O)CC1CCCCC1	PC-id_29763738	306.423	ZFTBMQIPHIAIKH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065601
s1c2CCCc2cc1C(=O)NNC(=O)CCC1CCCC1	PC-id_26872773	306.423	HCUJPXJCJFIBOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065602
s1c(NC(=O)C2C(C2(C)C)(C)C)c(c2c1CCC2)C(=O)N	PC-id_4152816	306.423	OIDDLVKUHKEAEO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-065603
CC(c1onc(n1)C(C)(C)C)NCc1sc2c(n1)CCC2	MCULE-2821160245,EMOLS-id_318111499	306.426	GWQXSNRTWGGZAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065604
CCCn1ncc(c1C(c1sc2c(c1)CCC2)NN)OC	PC-id_105339814	306.426	NLSIWLMQWSUKTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065605
CC(=C)N[C@H]1CCCC[C@H]1NC(=O)c1sc2c(n1)CNC2	PC-id_142914830	306.426	FHKHHUAUYYPFAK-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065606
CCNC(c1c(C)nn(c1OC)C)c1sc2c(n1)CCC2	PC-id_116015855	306.426	LBMGCZOOALKNNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065607
COc1cnn(c1C(c1sc2c(c1)CCC2)NN)C(C)C	PC-id_105339547	306.426	SFYBCYVHPOTWAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065608
COCCNC(c1sc2c(n1)CCC2)c1cnn(c1)CC	PC-id_103570212	306.426	HBXIDRKFFVWHBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065609
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)C1CSCC1	PC-id_71923709,EMOLS-id_45661065,MCULE-5553422195	306.426	APAWQVAJXOGZPL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-065610
O=C(c1n[nH]c2c1CCC2)N1CCN([C@@H]2CCSC2)CC1	ZINC22_80433831,PC-id_96565522	306.426	APAWQVAJXOGZPL-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-065611
O=C(c1n[nH]c2c1CCC2)N1CCN([C@H]2CCSC2)CC1	ZINC22_80433839,PC-id_96565523	306.426	APAWQVAJXOGZPL-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-065612
O=C(N1CCC(C1)C1CC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99855095	306.426	QOIXGAAXQVSFKB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-065613
s1c2c(CCC2)cc1CNCC1CCNC(=C(N)N=O)C1	PC-id_77030602	306.426	KXHUDDVBARADMR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065614
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)C)C#N	PC-id_3691162	306.426	IQBDGZHBPLZUOT-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-065615
s1c2CCCc2nc1C(NCCOC)c1c(n(nc1)C)C	PC-id_79569279	306.426	ZZYPFSQSTSIHBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065616
s1c2CCCc2nc1C(NCCOC)c1c(nn(c1)C)C	PC-id_83090864	306.426	LZLNECHMNKAHTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065617
s1c2CCCc2nc1C(NCCOC)c1n(CC)cnc1	PC-id_66134121	306.426	WKCDZOLMXMULAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065618
[Si](c1oc(OCCC2CCC=C2)c2c1COC2=O)(C)(C)C	PC-id_10946708	306.429	DSNBKCYUCVYZFL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-065619
CC1(C)CCc2c1nc(s2)NCc1nnn(n1)C(C)(C)C	MCULE-8289019087,EMOLS-id_318705945	306.43	VMEDXBBQXVPTCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065620
BrC1CC(Cl)c2c1c(Cl)sc2Cl	PC-id_78180325	306.435	INIATLNNCALISB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065621
Br[C@H]1C[C@H](c2c1c(Cl)sc2Cl)Cl	CoCoCo_5771140,PC-id_102378763	306.435	INIATLNNCALISB-STHAYSLISA-N	00000010100000000000000010000000000000000000000000000000	25-01-065622
Br[C@@H]1C[C@@H](c2c1c(Cl)sc2Cl)Cl	NSC704549,CoCoCo_5771139,PC-id_397148	306.435	INIATLNNCALISB-GBXIJSLDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065623
Br[C@@H]1C[C@H](c2c1c(Cl)sc2Cl)Cl	PC-id_102378764,CoCoCo_5771142	306.435	INIATLNNCALISB-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065624
Br[C@H]1C[C@@H](c2c1c(Cl)sc2Cl)Cl	PC-id_397149,CoCoCo_5771141,NSC704550	306.435	INIATLNNCALISB-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065625
n1(c(c2C(CC(c2c1C)(C)C#N)(C)C)C)CCc1ccccc1	PC-id_12894294,SCHEMBL11751195	306.445	NCHNGPOSJQVPKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065626
CC1OC(C)CN(C1)C(CNC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318364978,MCULE-5889278521	306.446	JOCJGCRDHGNBHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065627
CC(N1Cc2c(C1)cc(s2)C(=O)NCc1cccs1)C	MCULE-6538776624,PC-id_53171033,EMOLS-id_32995618	306.446	FFELREWWWKFDNA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065628
C(=O)(Nc1sc2CCCc2c1C#N)CC1CCSCC1	MCULE-8849120111,EMOLS-id_328179354	306.446	IOIPXCLGHMJRMI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065629
O=C(c1sc2c(c1)CCC2)Nc1scc(n1)C(C)(C)C	PC-id_86975560,SCHEMBL20791870	306.446	XZIKICMHZBZING-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065630
s1c2c(CCC2)cc1CNCc1sccc1NC(=O)C	PC-id_66386786	306.446	MXAQBGJPZJDPJQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065631
S(C1CCCC1)CC(=O)Nc1sc2CCCc2c1C#N	PC-id_8763605	306.446	AWXJSGGWHURQEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065632
S(C1(CCN(CC1)C(=O)c1sc2c(CCC2)c1)C#N)C	PC-id_65988483	306.446	CFKMNTGCDNYABS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065633
C1CCC(C1)c1nsc(n1)NCc1sc2c(n1)CCC2	EMOLS-id_318537587,MCULE-6637216464	306.45	HMLRXCKPKIQRIM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-065634
CCCCCCC(NC(=NC)NCc1nnc2n1CCC2)C	PC-id_111212659	306.45	AWCHHLFLYHJFJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065635
CCCCCC(NC(=NCc1nnc2n1CCC2)NCC)C	PC-id_111195106	306.45	FWLJIGFAVXPQKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065636
CCCCC(CNC(=NC)NCc1nnc2n1CCC2)CC	PC-id_111020169	306.45	SYBTXYVWJSQQIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065637
CCNC(=NCc1nnc2n1CCC2)NC(CCC(C)C)C	PC-id_111203534	306.45	IXSNBEGAZMMSKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065638
CCNC(=NCc1nnc2n1CCC2)NCCCCC(C)C	PC-id_111579569	306.45	ZMRCQTRTBAACQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065639
CN=C(NC(CCC(C)(C)C)C)NCc1nnc2n1CCC2	PC-id_109502031	306.45	ZHHIXIUOCSJZLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065640
CN=C(NC(CCCC(C)C)C)NCc1nnc2n1CCC2	PC-id_111172955	306.45	YCSNYPLZXNRMGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065641
c1(sc2c(CCC2)n1)NC(=O)C1CCC(CC1)CCCC	EMOLS-id_181474494,MCULE-9582043047,PC-id_84559443	306.466	DOIGRVJJZGSXKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065642
CCCCN(C(=O)c1sc2c(c1)CCC2)CC1CCCN1	PC-id_106612286	306.466	RKAWBPAWBXPHTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065643
CCCN(C(=O)c1sc2c(c1)CCC2)CC1CCCCN1	PC-id_106625807	306.466	HPGFIWQQFPGCLU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065644
CC(CN(C(=O)c1sc2c(c1)CCC2)CC1CCCN1)C	PC-id_106611310	306.466	FTCRXWNRPCJTCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065645
CCCN(C(=O)c1sc2c(c1)CCC2)CC1CCCNC1	PC-id_106628395	306.466	VIVNREYIXGMUSQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065646
CC(N1Cc2c(C1)cc(s2)C(=O)NCC1CCCCC1)C	PC-id_53171038	306.466	OFQXJFTXXBTIBR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065647
CC(N(C(=O)c1sc2c(c1)CCC2)CC1CCCCN1)C	PC-id_106626652	306.466	RWBXKSATCZRIEI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065648
CC(N(C(=O)c1sc2c(c1)CCC2)CC1CCCNC1)C	PC-id_106629159	306.466	VIEAGVLGPVRMBH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065649
CN(C)C1(CNC(=O)c2cc3c(s2)CCC3)CCCCC1	EMOLS-id_3386073,MCULE-4193277411,ZINC22_3420318,CoCoCo_3644142,PC-id_2539545	306.466	OMKVUMRBPYHSMC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065650
NCC1(CCCCC1)CC(=O)NCc1sc2c(c1)CCC2	PC-id_104677934	306.466	HEGFDYPRIFYSNU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065651
NCC1(CCC(CC1)C)C(=O)NCc1sc2c(c1)CCC2	PC-id_115441883	306.466	JLBMOFDJPMGLNU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065652
NCC1(CCCCCC1)C(=O)NCc1sc2c(c1)CCC2	PC-id_115443987	306.466	FVBSIOBQFWVAPO-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-065653
s1c2c(CCC2)cc1CNC(C(=O)N1CCCCCC1)C	PC-id_61207981	306.466	HDNPHVBPFGEMCK-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-065654
s1c2c(CCC2)cc1CNC(C(=O)NC1CCCCC1)C	PC-id_61207793	306.466	VJVZTCXUKNEFDG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065655
s1c2c(CCC2)cc1CNCC(=O)NC1CCCCCC1	PC-id_62575830	306.466	ADHIOCJDVXDYTE-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-065656
s1c2c(CCC2)cc1CNC(=O)C1(CCCNC1)CCC	PC-id_63135075	306.466	JSUOHTJRCJLKEM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065657
s1c2c(CCC2)cc1CNC(=O)C1(CCNCC1)CCC	PC-id_63128627	306.466	WCZNHDHFMHLDKA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065658
s1c2c(CCC2)cc1CNC(=O)C(C1CCCNC1)(C)C	PC-id_83034569	306.466	MKICYQVRSCBODW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065659
s1c2c(CCC2)cc1CNC(=O)CC1(NC)CCCCC1	PC-id_65242598	306.466	AXMLKQYAKOHBQF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065660
s1c2c(CCC2)cc1CNC(=O)CC(C1CCCNC1)C	PC-id_81049051	306.466	OODZDIONSGUGHE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065661
s1c2c(CCC2)cc1C(=O)N(CC1CCNCC1)CCC	PC-id_79701570	306.466	XBONTALJTQTGEC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065662
s1c2c(CCC2)cc1C(=O)N(CC1CCNCC1)C(C)C	PC-id_79702241	306.466	AZVRLXZJUJLMEO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065663
s1c2CCCc2cc1C(=O)NCCCN1C(CCCC1)C	PC-id_85018988	306.466	MDIIVKXLSOLJFQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065664
s1c2CCCc2cc1C(=O)NCCCN1[C@@H](CCCC1)C	PC-id_9472903	306.466	MDIIVKXLSOLJFQ-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065665
s1c2CCCc2cc1C(=O)NCCCN1[C@H](CCCC1)C	PC-id_9472905	306.466	MDIIVKXLSOLJFQ-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065666
s1c2CCCc2cc1C(=O)NCCNC1CCCCCC1	PC-id_81486735	306.466	VUACNPANLMVIQQ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-065667
s1c2CN(Cc2cc1C(=O)NC1CCCCCC1)C(C)C	PC-id_53171011	306.466	TZRYURWYLBUMCN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-065668
s1c(C(=O)N2CC(CCC2)CNC(C)C)cc2CCCc12	PC-id_63241416	306.466	PMGOPTXEOWKPLN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065669
s1c(C(=O)N(C2C(CCCC2)CN)CC)cc2c1CCC2	PC-id_65840233	306.466	CQXRQMJNADWGJT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065670
s1c(C(=O)N(C2CCC(N)CC2)CCC)cc2c1CCC2	PC-id_79116860	306.466	SHPSEIBSRDGEFH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065671
CNC1CCC(CC1)N=C(c1c(sc2c1CCC2)NC)N	PC-id_136422193	306.469	SWEOBRCGXFIRET-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065672
CN[C@@H]1CC[C@H](CC1)NC(=N)c1c(NC)sc2c1CCC2	SCHEMBL13644126	306.469	SWEOBRCGXFIRET-XYPYZODXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065673
S1CCN(CC1)C1(CCCC1)CNC1CCn2c1ncc2	EMOLS-id_318088761,MCULE-8725154997	306.469	HCRZOSLQQRFOCS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-065674
CCCCCCCCc1c(c2c(s1)CS(=O)S2)F	PC-id_90352118,SCHEMBL15965590	306.483	HZNWEUQZICFOLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065675
CC(c1scc(n1)CNCc1sc2c(c1)CCC2)(C)C	PC-id_115614702	306.489	WPWPAGGCAUETSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065676
CCCNC(c1sc2c(c1)CCC2)Cc1csc(n1)C	PC-id_104997000	306.489	SQYLEXQOYRMGHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065677
CCCNC(c1sc2c(c1)CCC2)Cc1scc(n1)C	PC-id_105019242	306.489	YQORUQJYRFPXTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065678
CCNC(c1sc2c(c1)CCC2)Cc1sc(c(n1)C)C	PC-id_105019989	306.489	VBEQFMKZLWJOAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065679
NC(c1sc2c(c1)CCC2)Cc1scc(n1)C(C)(C)C	PC-id_105015870	306.489	USKSKDNUPICQTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065680
s1c2CCCc2cc1CNCc1scc(n1)C(C)(C)C	PC-id_80306563	306.489	VWFNGRXUXQSPTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065681
s1c2c(CCC2)cc1CNCc1sc(nc1)C(C)(C)C	PC-id_63121202	306.489	DENAMUQCTDCJBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065682
s1c2CCCc2nc1C(NC)c1sc(C(C)(C)C)cc1	PC-id_81639489	306.489	OUTGDKXMBUHFCF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065683
s1c2CCCc2nc1C(NCCC)c1c(sc(c1)C)C	PC-id_61556498	306.489	ACNMHQBRWYXWOB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065684
s1c2CCCc2nc1C(NC(C)C)c1c(sc(c1)C)C	PC-id_61556569	306.489	IMGLDEICXQYNQU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065685
s1c2CCCc2nc1C(NCCC)c1sc(cc1)CC	PC-id_62345051	306.489	GUUPQYZMEPXYOZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065686
s1c2CCCc2nc1C(NC(C)C)c1sc(cc1)CC	PC-id_62345409	306.489	LAMNDCNRCIEWFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065687
CC(CC(c1sc2c(n1)CCC2)(NC1CC1)CC(C)C)C	PC-id_114868576	306.509	CVHUBHUTZZGRQJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065688
CNC(c1sc2c(n1)CCC2)C1CCC(CC1)C(C)(C)C	PC-id_104575723	306.509	NUMIEYZLDJBLAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065689
s1c(CNC(C2CCCN(C2)CCC)C)cc2c1CCC2	PC-id_61207025	306.509	JQAJOJAIHNPUAR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065690
s1c(CNC(C2CCN(CC2)CCC)C)cc2c1CCC2	PC-id_61207217	306.509	GMWRTCCWBUDFBD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-065691
s1c(nc2c1CCC2)C(NC1CC1)(CCCCCCC)C	PC-id_63405356	306.509	AMWOYVDUHRNDDJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-065692
S1C(Sc2sc(=O)sc12)CCCCCCCC	PC-id_11066750	306.531	GHHLOXVWRQEVJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065693
C1SC2=C(S1)SC(=CC=C1SC=CS1)S2	PC-id_101581919	306.534	IIPRUSNPPAKGJG-UHFFFAOYSA-N	00000011000000000001000010000000000000000000000000000000	25-01-065694
c1(C(=O)Nc2ccc(c(c2)N(=O)=O)Cl)c2CCCc2[nH]n1	MCULE-4566339856,EMOLS-id_323259574	306.704	MVLJAPDNQCRBBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065695
c1(C(=O)Nc2ccc(cc2N(=O)=O)Cl)c2CCCc2[nH]n1	MCULE-8448783387,EMOLS-id_335041452	306.704	PNJAYHVMJWTRQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065696
c1(C(=O)NN=Cc2c(cccc2Cl)F)c2CCCc2[nH]n1	PC-id_5400045,EMOLS-id_299999151,MCULE-6961496626	306.723	LNUBRAWFVQCXTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065697
Fc1cccc(c1/C=NNC(=O)c1[nH]nc2c1CCC2)Cl	CoCoCo_1724435,CoCoCo_1724433	306.723	LNUBRAWFVQCXTK-IDUWFGFVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065698
Fc1cccc(Cl)c1/C=N/NC(=O)c1n[nH]c2CCCc12	CoCoCo_1724432,CoCoCo_1724434,PC-id_6863098,SPECS-id_AT-225/NB40682,TIMTEC290617,STOCK3S-30437,EMOLS-id_702163	306.723	LNUBRAWFVQCXTK-REZTVBANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065699
Clc1ccc(Cn2nc3OC(C(c3c2C)C)C(=O)O)cc1	PC-id_67883914,SCHEMBL9585451	306.744	FUPLKPAHPBLDFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065700
Clc1cc(Cn2nc3OC(C(c3c2C)C)C(=O)O)ccc1	SCHEMBL9584016,PC-id_67883673	306.744	ABARNHRSJPHRTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065701
Clc1c(Cn2nc3OC(C(c3c2C)C)C(=O)O)cccc1	PC-id_67883891,SCHEMBL9585299	306.744	QYYZRBJNHUILNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065702
Clc1n(c(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cc1)C	PC-id_70455449,SCHEMBL10846696	306.744	MGMYYYGAAUGDCF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-065703
CCOc1ccc(cc1Cl)NC(=O)N1CCn2c1ncc2	MCULE-8051733232,EMOLS-id_318510108	306.747	LWYNKEKJFJVVQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065704
COc1ccc(Cl)cc1C(=O)NCc1nnc2n1CCC2	CoCoCo_4474332,PC-id_17521283,MCULE-4819287554,ZINC22_12938454,EMOLS-id_16737764	306.747	RQTLKZQAEDGFAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065705
COc1cc(N)c(cc1C(=O)NC1Cn2c(C1)cnc2)Cl	PC-id_139706452	306.747	PZFNRCLSHLCHHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065706
Oc1ccc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)Cl	EMOLS-id_318624317	306.747	ILSYCEKSGHEFOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065707
O=C(C1NCc2c1c[nH]n2)NCC(c1ccc(cc1)Cl)O	EMOLS-id_319125189	306.747	WNHBUXOGQGJYHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065708
CC1=C/C(=Cc2c(=O)n3n(c2N)CCC3)/C(=C(C1=O)Cl)N	PC-id_57578048,SCHEMBL13924549	306.748	LEGSKUHBFRPLEU-SOFGYWHQSA-N	00000010100011000001000010000000000000000000000000000000	25-01-065709
Cc1c(cc(cc1)NC(=O)Nc1nc(c2n1CCC2)O)Cl	PC-id_91936453,BindingDB_PC-id_91936453	306.748	LWOWUEBABPDFIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065710
CCOc1c(cccc1Cl)NC(=O)N1CCn2c1ncc2	EMOLS-id_318677111	306.748	WAOUKJCHKJDNJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065711
CCOc1ccc(c(c1)NC(=O)N1CCn2c1ncc2)Cl	MCULE-2500294657,EMOLS-id_318417858	306.748	WODHBAVXLKDJRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065712
CCOc1cc(Cl)ccc1NC(=O)N1CCn2c1ncc2	EMOLS-id_318554637,MCULE-4134278958	306.748	WJDOTIUHRHNWOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065713
Clc1ccc(c(c1)NC(=O)c1nn2c(c1)OCC2)N(C)C	EMOLS-id_318816528	306.748	COSODQCGSTXCEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065714
ClC1=C(N)C(=Cc2c(n3n(CCC3)c2=O)N)C=C(C1=O)C	PC-id_76609685	306.748	LEGSKUHBFRPLEU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-065715
COc1c(cccc1Cl)CNC(=O)C1NCc2c1c[nH]n2	MCULE-7423703406,EMOLS-id_319955451	306.748	HITMHULHAALBSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065716
COc1ccc(cc1NCC(=O)N1CCn2c1ccn2)Cl	EMOLS-id_318221637,MCULE-7515081352	306.748	NANIOWMIFGMARR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065717
COc1ccc(cc1NCC(=O)N1CCn2c1ncc2)Cl	EMOLS-id_318585393,MCULE-5183706677	306.748	KHANXBHABYNXSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065718
COc1cc(N)c(cc1C(=O)NC1CCn2c1ncc2)Cl	PC-id_139706459	306.748	SKZMPEUASYHNMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065719
O=C(c1cc2n(n1)CCO2)Nc1ccc(c(c1)N(C)C)Cl	EMOLS-id_318683923	306.748	XAZDJXLGYHOFSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065720
O=C(C1NCc2c1c[nH]n2)NCCOc1cccc(c1)Cl	EMOLS-id_319488386	306.748	CIXXUIUWMCKGOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065721
O=C(c1nn2c(c1)OCC2)Nc1cccc(c1N(C)C)Cl	EMOLS-id_318633562	306.748	XGEZKSZNGLBHSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065722
Cc1nc(Cl)ccc1NC(=O)NCc1nnc2CCCn12	PC-id_118777921,EMOLS-id_68906054,MCULE-5455009910,ZINC22_278897808	306.751	FTAQYTKYVSUZFY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065723
CCc1ncc(c(n1)C(=O)NC1CC(n2c1ncn2)C)Cl	MCULE-9519848380,EMOLS-id_319875258	306.751	KRLBWKZRFXGHRS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065724
Clc1ncc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319664284	306.751	MVAXSASVVGNAKU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065725
Clc1ncc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)N	PC-id_105613382	306.751	HEANTXWWZRXTNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065726
Nc1cnc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)Cl	PC-id_108153670	306.751	ZWDCXGXYVIRREC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065727
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cnc(c(c1)C)Cl	EMOLS-id_319219822	306.751	SGVDSOGIWWTSKA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065728
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cncc(c1C)Cl	EMOLS-id_319736921	306.751	WCZNFDAHBAHFNV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065729
O=C(NCCc1nnc2n1CCC2)Nc1cccnc1Cl	MCULE-1199114492,PC-id_71985163,EMOLS-id_49077356,ZINC22_96444421	306.751	ZZWGFTUBOKVQSO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065730
CC1CC(c2n1ncn2)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	EMOLS-id_318627937	306.766	YMMYGKABOLOVEV-MREVRHAXSA-N	00100010100000110001100010000000000000000000000000000000	25-01-065731
Clc1c(/C=C/C(=O)Nc2onc3c2CSC3)cccc1	PC-id_49719006	306.767	XCENGWGOPVRLAI-AATRIKPKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065732
Clc1c(C=CC(=O)Nc2onc3c2CSC3)cccc1	PC-id_75355072	306.767	XCENGWGOPVRLAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065733
c1(C#N)c2CCCc2sc1NC(=O)c1c(Cl)cnn1C	TIMTEC243735,ZINC22_6790344,EMOLS-id_3994848,MCULE-5717394575,PC-id_4768668	306.771	JNSTUHZGVNBPAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065734
c1(NC(=O)c2ccn(CCl)n2)sc2c(CCC2)c1C#N	TIMTEC65985,PC-id_4773979,EMOLS-id_3994846,MCULE-5847330205	306.771	AXNLQLAGDVGEPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065735
c1(NC(=O)c2nn(cc2Cl)C)sc2c(CCC2)c1C#N	TIMTEC569899,ZINC22_2775189,PC-id_4768664,MCULE-8749949593,EMOLS-id_3994850,CoCoCo_6578668	306.771	YHKSVDGJFDLVRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065736
Cn1ncc2c1CN(C(=O)c1cc3sc(Cl)cc3[nH]1)C2	ZINC22_1875340671	306.771	MMMWWXGGGFKNPQ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-065737
N#Cc1c(NC(=O)Cn2ncc(c2)Cl)sc2c1CCC2	EMOLS-id_318778119	306.771	VNELRACIPNOLHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065738
Clc1sc2CCC(Nc3c(c(F)cc(c3)C#N)C)c2c1	PC-id_81251954	306.786	LPKYTWDFFLJWMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065739
CC(c1ccc(cc1)OC[C@H]1Oc2n(C1)cc(n2)Cl)(C)C	PC-id_140261700	306.787	BQNWXSCOXRTSNO-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065740
Clc1cnc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261628	306.787	CFAXNSABABEXRA-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065741
COc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1OC	MCULE-5124257922,EMOLS-id_331018927	306.787	MVNVDWKCTDQKSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065742
COc1ccc(Cn2nc3CCC(C)c3c2Cl)c(OC)c1	MCULE-7538385949,EMOLS-id_331019183	306.787	FJPDVFSAXJXSMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065743
COc1ccc(Cn2nc3CCC(C)c3c2CO)cc1Cl	EMOLS-id_330991283,MCULE-7866064520	306.787	URHMZTWSQJAJBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065744
COc1ccc(Cn2nc3CCC(C)c3c2CO)c(Cl)c1	EMOLS-id_330991539,MCULE-4163139070	306.787	PLJAJQTYWVRUCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065745
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)cc1OC	MCULE-5661257593,EMOLS-id_330976498	306.787	ZLYZTLIKJSWZQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065746
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)c(OC)c1	MCULE-9928202129,EMOLS-id_330976754	306.787	RZEOBCZFDALKTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065747
COc1ccc(Cn2nc(CO)c3C(C)CCc23)cc1Cl	EMOLS-id_331008504,MCULE-8555014616	306.787	HBFXPFWHBVIBAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065748
COc1ccc(Cn2nc(CO)c3C(C)CCc23)c(Cl)c1	EMOLS-id_331008760,MCULE-4723605910	306.787	WSGUXCMYSQJHHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065749
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1CO	EMOLS-id_330990775,MCULE-9213808945	306.787	VDRVYLZNFJBIAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065750
COc1cc(Cl)ccc1Cn1nc(CO)c2C(C)CCc12	MCULE-3256970221,EMOLS-id_331007996	306.787	URTCURPRHBULTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065751
COc1cc(Cn2nc3CCC(C)c3c2CO)ccc1Cl	EMOLS-id_330990519,MCULE-9337939967	306.787	VDWZOUKOJJCPQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065752
COc1cc(Cn2nc(CO)c3C(C)CCc23)ccc1Cl	MCULE-6873010253,EMOLS-id_331007740	306.787	MPSISXRZFTVPRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065753
CC(Oc1ccccc1Cl)CNC1CC(n2c1ncn2)C	EMOLS-id_279083887	306.791	SMSARFJOAXHRHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065754
Clc1cc(CNC(c2n3CCCc3nn2)C)ccc1OC	PC-id_65021565	306.791	BVADLQFKSJVBII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065755
Clc1cc(CNC(c2n3CCCc3nn2)C)c(OC)cc1	PC-id_61038394	306.791	NOMBVZOGNFLQJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065756
COc1cccc(c1CNC(c1nnc2n1CCC2)C)Cl	PC-id_104646642	306.791	YGBPPZBRYINXDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065757
COc1ncc(cc1Cl)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318274932,MCULE-6934188452	306.791	JHKYSKPYNSGMSQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065758
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007678,MCULE-3269021117	306.806	WLZKBZYYQICVDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065759
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007931,MCULE-5860328837	306.806	KCQNAOZNKKZHPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065760
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008191,MCULE-3492447871	306.806	HCNSBGCFZQYHND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065761
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1CCl	MCULE-1636862616,EMOLS-id_331007166	306.806	CVYMAGWKOOZPAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065762
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007422,MCULE-9548529583	306.806	MHCVJABUBOKLTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065763
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007675,MCULE-1865996775	306.806	HUSOSUGAMXPIAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065764
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008189,MCULE-1149760971	306.806	IAEPGALNVARTTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065765
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1CCl	MCULE-8932201608,EMOLS-id_331008445	306.806	LQXVUQHFQROMHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065766
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1CCl	MCULE-2643706090,EMOLS-id_331007935	306.806	GJYBEHUBALDFIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065767
COc1ccc(cc1CC(=O)c1sc2c(c1)CCC2)Cl	PC-id_114968648	306.807	OPYBOBGQFPVNBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065768
c1(c2CCCc2sc1N)C(=O)Nc1cccc(Cl)c1C	TIMTEC97242,ZINC22_17031452,PC-id_17285012,MCULE-7578579409,EMOLS-id_3994885,CoCoCo_6815135	306.81	CGBLOGMBOJEAJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065769
Cc1c(ccc(c1)Cl)NC(=O)c1c(sc2c1CCC2)N	SCHEMBL20353915,PC-id_135200334	306.81	KHHBDIDJASITGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065770
Cc1nc(Cl)cc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_104122762	306.81	QBQZYVPINKNXRL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065771
Clc1ccc(c(c1)N(C(=O)c1sc2c(c1)CCC2)C)N	PC-id_107465708	306.81	FNXKOCRTEIQOFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065772
Clc1ccc(CCC(=O)Nc2nc3CCCc3s2)cc1	ZINC22_24992315,CoCoCo_4374377,MCULE-3099579394,PC-id_24245669,EMOLS-id_17205317	306.81	UEFACODTMQDBEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065773
Clc1ccc(CNC(=O)c2c3CCCc3sc2N)cc1	PC-id_20109781	306.81	XJLWKMTYFQVYAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065774
Clc1c(CCC(=O)Nc2sc3CCCc3n2)cccc1	PC-id_33040936	306.81	ROSAXLUKKFFZCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065775
Clc1cc(C(=O)NCc2sc3CCCc3c2)ccc1N	PC-id_64320721	306.81	WOYMUBQJHXDCSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065776
Clc1cc(C(=O)NCc2sc3CCCc3c2)cc(N)c1	PC-id_81550189	306.81	HZIUOLOLEURZJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065777
Clc1cc(C(=O)NCc2sc3CCCc3c2)c(N)cc1	PC-id_61208143	306.81	PMKIPFGFKNXAKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065778
Clc1cc(N)c(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61207949	306.81	KDNDPLYVWZKFJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065779
Clc1c(CNC(=O)c2c3CCCc3sc2N)cccc1	PC-id_20109780	306.81	FVMSFLGXIOTNKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065780
Clc1c(C(=O)NCc2sc3CCCc3c2)ccc(N)c1	PC-id_61207950	306.81	MMXHYKSBFDWFEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065781
Clc1c(C(=O)NCc2sc3CCCc3c2)cc(N)cc1	PC-id_61207756	306.81	VFZKCUNUDOOBBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065782
Clc1c(C(=O)NCc2sc3CCCc3c2)cnc(c1)C	PC-id_81226811	306.81	RRPLSUOQHHLNNL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065783
Clc1c(C(=O)NCc2sc3CCCc3c2)c(N)ccc1	PC-id_63659872	306.81	PKEUCJHZENQPEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065784
Clc1c(N)cc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61207571	306.81	BFPUIVHGOCXVBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065785
Clc1sc2CCC(Nc3ccc(cc3)CC(=O)N)c2c1	PC-id_81252790	306.81	CDZOXRZPYIQTBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065786
Clc1sc2CCC(Nc3ccc(cc3)C(=O)NC)c2c1	PC-id_81252056	306.81	SONXTIYIPKWAQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065787
Clc1sc2CCC(Nc3c(cc(cc3)C(=O)N)C)c2c1	PC-id_81252172	306.81	FKUJAAARSBUCJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065788
Clc1sc2CCC(Nc3cc(ccc3)C(=O)NC)c2c1	PC-id_81252269	306.81	FPCCXNDGWFDQCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065789
Clc1sc2CCC(Nc3c(c(ccc3)C(=O)N)C)c2c1	PC-id_81252788	306.81	QUQDANKIZONLAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065790
Clc1sc2CCC(Nc3ccc(NC(=O)C)cc3)c2c1	PC-id_81252665	306.81	MDFVMTMUJJNQGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065791
Clc1sc2CCC(Nc3c(CC(=O)N)cccc3)c2c1	PC-id_81252175	306.81	RFZQCNNZKSQUJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065792
Clc1sc2CCC(Nc3cc(NC(=O)C)ccc3)c2c1	PC-id_81251493	306.81	VATOXSZSZSWLJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065793
Clc1sc2c(C(NCc3cc(ccc3)C(=O)N)CC2)c1	PC-id_81252681	306.81	SFBUDQOHIIBCGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065794
CNc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20353855,PC-id_135200279	306.81	LCOTUIKLBOBZLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065795
O=C(c1cccc(c1Cl)N)NCc1sc2c(c1)CCC2	PC-id_115930440	306.81	NZFBUQGXILEKRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065796
O=C(c1cccc(c1N)Cl)NCc1sc2c(c1)CCC2	PC-id_115540466	306.81	RDFXQIRMSJVQHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065797
O=C(c1sc2c(c1)CCC2)Nc1cc(Cl)c(cc1C)N	PC-id_104667515	306.81	FHYAPXGVNNZSHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065798
O=C(c1sc2c(c1)CCC2)NCc1ccc(c(c1)N)Cl	EMOLS-id_320033619,MCULE-6904870632	306.81	OBVQUCMHIXYFLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065799
ClCCCCS(=O)(=O)N(Cc1nnc2n1CCC2)C	PC-id_116815387	306.812	MZCQQPWJRFGCGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065800
ClCCCCS(=O)(=O)NC(c1nnc2n1CCC2)C	PC-id_116815509	306.812	JEPKMDRDURJVSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065801
ClCC(CS(=O)(=O)NC(c1n2CCCc2nn1)C)C	PC-id_79585931	306.812	GWGMRYTWYHYGJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065802
ClCC(CS(=O)(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_79586366	306.812	PFFCESRYLGBOKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065803
c1(N=C(C)c2ccc(Cl)s2)sc2c(CCC2)c1C#N	MCULE-7303545453,PC-id_822693	306.834	RESIHUPWICXWOF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065804
C/C(=Nc1sc2c(c1C#N)CCC2)/c1ccc(Cl)s1	PC-id_5409444,EMOLS-id_26291825,CoCoCo_1939627,SPECS-id_AG-205/37136049,ZINC22_13582982,STOCK3S-04107	306.834	RESIHUPWICXWOF-CAOOACKPSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065805
N#Cc1c(/N=C(c2ccc(s2)Cl)/C)sc2c1CCC2	CoCoCo_1939628	306.834	RESIHUPWICXWOF-IUXPMGMMSA-N	00000010100100000000000010000000000000000000000000000000	25-01-065806
Clc1nc2SCCn2c1CSCCNC(=O)NC	PC-id_50878398	306.835	BSKYKODBKLNJFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065807
ClC(c1sc2c(CCC2)c1)c1ccc(CCOC)cc1	PC-id_61083720	306.85	NWNRUIMXNUDDJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065808
ClC(c1sc2c(CCC2)c1)c1cc(c(OC)c(c1)C)C	PC-id_83067991	306.85	FLFQUHVHGFIKGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065809
ClC(c1sc2c(CCC2)c1)c1ccc(OC(C)C)cc1	PC-id_63432379	306.85	LKBSESWOFKPZGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065810
ClC(c1sc2c(CCC2)c1)c1c(OCC)ccc(c1)C	PC-id_63444545	306.85	KKZOPTXFEWFJBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065811
CCNC(c1ccc(cc1C)Cl)c1sc2c(n1)CCC2	PC-id_108386592	306.853	VOOZMMDWJFRZKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065812
CCNC(c1ccc(c(c1)Cl)C)c1sc2c(n1)CCC2	PC-id_106818059	306.853	CWMKGHQYLGADFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065813
CCNC(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_115984930	306.853	UHQQJXJEEADFCF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-065814
Clc1ccc(C(NC(C)C)c2sc3CCCc3n2)cc1	PC-id_61334645	306.853	XGNUMNHTUCCIDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065815
Clc1ccc(C(NCCC)c2sc3CCCc3n2)cc1	PC-id_61335766	306.853	DNMBGTKZSNLPQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065816
Clc1cc(C(NC(C)C)c2sc3CCCc3n2)ccc1	PC-id_61334844	306.853	GYDLQODQDOOOEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065817
Clc1cc(C(NCCC)c2sc3CCCc3n2)ccc1	PC-id_61335962	306.853	SDXPAQJKLCPWRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065818
Clc1c(C(NCCC)c2sc3CCCc3n2)cccc1	PC-id_61333614	306.853	JFFYCXNBBIRLRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065819
Clc1c(C(NC(C)C)c2sc3CCCc3n2)cccc1	PC-id_61335618	306.853	IRWOLUQWWKSZCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065820
Clc1sc2CCC(Nc3ccc(cc3)CN(C)C)c2c1	PC-id_81252285	306.853	VRMNQVDKPBTEMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065821
Clc1sc2CCC(Nc3c(cc(N(C)C)cc3)C)c2c1	PC-id_81252055	306.853	RMWXKMCLLBYMRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065822
Clc1sc2CCC(Nc3cc(CN(C)C)ccc3)c2c1	PC-id_81251410	306.853	CNKGTCNCQFFVTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065823
Clc1sc2CCC(Nc3c(CN(C)C)cccc3)c2c1	PC-id_81251416	306.853	LNMNPOYZQGEYEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065824
Clc1sc2c(C(NCc3ccc(N(C)C)cc3)CC2)c1	PC-id_81251940	306.853	RUFPBAAAKRVTSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065825
CNC(c1sc2c(n1)CCC2)(Cc1ccc(cc1)Cl)C	PC-id_105545899	306.853	AFEAEFFJCMDYRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065826
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958009,MCULE-1237430105	306.853	MMDYDFFVAWJLPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065827
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Cl	MCULE-3496090730,EMOLS-id_330960310	306.853	TXRBBLJMBWPILE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065828
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)C	PC-id_113886970	306.853	LDXDMMMKDXXTFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065829
C1C(SC2=NC=CN21)/C=C/3[C@@H]4N(C3=O)C(=CS4)C(=O)O	PC-id_160344357	307.009	SVJVEGMBFPZGTP-SGFCHJGUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-065830
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3=CSC=N3)C	PC-id_160746181	307.074	RWFIRUIEMHKIRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065831
CCOC(=O)c1[nH]c(I)c2COCc12	SCHEMBL19318777,EMOLS-id_324080619	307.085	FIFKFDXWISREDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065832
C1CC2=C(C1)SC(=C2)CNCC(/C(=N/O)/N)C(F)(F)F	PC-id_165367456,PC-id_103369758	307.097	MLDBWLMDRYHAHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065833
IN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL18950157	307.108	UCSTXFHSVKPCPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065834
CCOC(=O)C1=NN2CC(OC2=C1)CCNCC(F)(F)F	PC-id_150802408	307.114	KGDMFHCPCZHXOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065835
CC(N1CCn2c1c(I)c(=O)[nH]2)(C)C	SCHEMBL19453923	307.131	FMOWEMTWJRZFAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065836
C1CC2=C(C1)SC(=N2)CN3CCOC(C3)C(=O)NC4CC4	PC-id_155980943,EMOLS-id_330976297,MCULE-1877491430	307.135	IZFYKXMEJLOXIZ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-065837
CCC(=O)NC1CCCN(C1)C(=O)C2=NC3=C(S2)CCC3	PC-id_154760589,EMOLS-id_112012364,MCULE-5091455501	307.135	GVGDJMPTIRPDEO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065838
Brc1ccc(NC(=O)c2noc3CCCc23)cc1	PC-id_3353804,EMOLS-id_15971930,ChEMBL-DNDi_CHEMBLC226-3264,ZINC22_426298,TIMTEC600837,MCULE-3129382829	307.143	ZQBJMNPDAVOCLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065839
Brc1cc([nH]c1)C(=O)NN=C1CCn2c1ccc2	MCULE-2175585897,PC-id_71899676,EMOLS-id_44522146	307.146	MLVWRQZWLJAGAT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-065840
Brc1cc([nH]c1)C(=O)N/N=C
/CCn2c1ccc2	PC-id_75362258	307.146	MLVWRQZWLJAGAT-DHDCSXOGSA-N	00000010110000000000000010000000000000000000000000000000	25-01-065841
c1(C(=O)NC)c2CCCc2sc1I	MCULE-8619940752,EMOLS-id_331062312	307.151	JWKNEMJQWWSDQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065842
c1(C(=O)NC)c(I)c2c(CCC2)s1	MCULE-6913257838,EMOLS-id_330874176	307.151	IAKPEKAPCNRAGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065843
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)Br	EMOLS-id_330957553,MCULE-2112941630	307.186	WTRARCZRJHYMNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065844
CC1CCc2c1c(O)nn2Cc1cccc(Br)c1	EMOLS-id_330958833,MCULE-6734302685	307.186	DNOOJGWDUCOIGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065845
CC1CCc2c1c(O)nn2Cc1ccccc1Br	MCULE-3651049852,EMOLS-id_330960625	307.186	NBLNBFKPYLECAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065846
CC1CCc2nn(Cc3ccc(Br)cc3)c(O)c12	EMOLS-id_331003822,MCULE-6703942679	307.186	ZFXUNRFBJHCWEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065847
CC1CCc2nn(Cc3cccc(Br)c3)c(O)c12	EMOLS-id_331005102,MCULE-1576651960	307.186	JNSNFMOQKKMHID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065848
CC1CCc2nn(Cc3ccccc3Br)c(O)c12	MCULE-2850924804,EMOLS-id_331002799	307.186	AMIRQEVKNGLEFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065849
Cn1nc(Br)c2CCC(OCc3ccccc3)c12	EMOLS-id_324123090	307.186	LFQWYORSSXLWFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065850
Brc1ccc(nc1)CNC1CC(n2c1ncc2)C	EMOLS-id_318378846	307.189	HIAKDHRDGWWJCL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065851
Brc1cccnc1CNC1CC(n2c1ncc2)C	EMOLS-id_318381400	307.189	POHXLNVKOSQVTN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065852
Brc1ccc(nc1C)NCc1cnc2n1CCC2	EMOLS-id_318121328	307.189	PCBOHMNJYUXQKK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065853
Brc1ccc(nc1)CNCc1cnc2n1CCC2	EMOLS-id_318764223,MCULE-7091793423	307.189	AIMKGDLSLMOWMG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065854
Brc1cccnc1CNCc1cnc2n1CCC2	MCULE-4960754861,EMOLS-id_318653386	307.189	WFOAYFISFWKENH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065855
Brc1cnccc1CNC1CC(n2c1ncc2)C	EMOLS-id_317965169	307.189	GWLHULANTXXKNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065856
Brc1cnc(cc1C)NCc1cnc2n1CCC2	EMOLS-id_318038699	307.189	UQGAYQJPUYSPQP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065857
Brc1cnc(c(c1)C)NCc1cnc2n1CCC2	EMOLS-id_318351191	307.189	BFXOEFMJOWDBQM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065858
Brc1cnc(c(c1)NCc1cnc2n1CCC2)C	EMOLS-id_318352983	307.189	LZQPZUMHWGUBLV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065859
Brc1cncc(c1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318242377	307.189	BFSJVZDJBYAGHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065860
Cc1c(cncc1Br)NCc1cnc2n1CCC2	EMOLS-id_318625939	307.189	GVDNFWUFEDCWSD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065861
Cc1cnc(c(c1)Br)NCc1cnc2n1CCC2	EMOLS-id_318224005	307.189	QDKQKDJDHLCXMP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065862
Cc1ncc(cc1Br)NCc1cnc2n1CCC2	EMOLS-id_318699419	307.189	LCYJATSDTODRRT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065863
C/C=CC=C/C(=CC=C)/N1CCn2c1nc(n2)Br	PC-id_142318063	307.189	PSHVZYLUHUTKIG-XEVZYFJHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065864
Brc1ccc(cc1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37654215,PC-id_43462865	307.206	SYIRHARNEWTQFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065865
CCOC(=O)Cn1nc(c2c1CCN2C(=O)O)C(F)(F)F	SCHEMBL14488636,PC-id_71187476	307.226	VRAJHYYLENFADH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065866
Brc1c2SC(C(c2sc1)(CC)C)C(=O)O	SCHEMBL406994,PC-id_66677799	307.227	FASSQYGJYVPKCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065867
O=C(c1cc2n(n1)CCO2)N1CCC(F)(C(F)(F)F)CC1	ZINC22_2325782727	307.244	ZMBOHJGFHTZPJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065868
BrC(c1sc2c(CCC2)c1)c1ccc(cc1)C	PC-id_55198366	307.249	KECTUGKSTMFDKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065869
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(F)c1)F)C	MCULE-4486445666,EMOLS-id_24576710,STOCK6S-67992,PC-id_135649907	307.256	UPBWKPLRQUNGQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065871
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2	PC-id_135901957,ZINC22_20721720	307.256	UPBWKPLRQUNGQZ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-065872
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2	ZINC22_20721717,PC-id_135901956	307.256	UPBWKPLRQUNGQZ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065873
CC(c1c(n2C(=N)N=Nc2n1)O)C(=O)C(C)C(=O)C(=O)OC	PC-id_135402396	307.262	NVFKQYHWLDBJDA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065874
COC(=O)C(=O)[C@@H](C)C(=O)[C@H](C)C1=Nc2n[nH]c(=N)n2C1=O	CoCoCo_5636984,LI_194300	307.262	VOHGHBOCHMDPRF-UHNVWZDZSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065875
COC(=O)C(=O)[C@H](C(=O)[C@H](C1=Nc2n(C1=O)c(nn2)N)C)C	CoCoCo_5636983	307.262	VOHGHBOCHMDPRF-WHFBIAKZSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065876
COC(=O)C(=O)[C@@H](C(=O)[C@H](C1=Nc2n(C1=O)c(nn2)N)C)C	CoCoCo_5636985	307.262	VOHGHBOCHMDPRF-CRCLSJGQSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065877
COC(=O)C(=O)[C@@H](C(=O)[C@@H](C1=Nc2n(C1=O)c(nn2)N)C)C	NSC382924,CoCoCo_5636986	307.262	VOHGHBOCHMDPRF-RFZPGFLSSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065878
O=C(C(C1=Nc2n(C1=O)c(nn2)N)C)C(C)C(=O)C(=O)OC	PC-id_343470	307.262	VOHGHBOCHMDPRF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065879
C1(=CNNc2cccc(c2)C(F)(F)F)Cn2c(ccc2)C1=O	MCULE-7565116686,PC-id_71831673	307.27	SMOLMVYKZIGZNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065880
O=C1/C(=CNNc2cccc(C(F)(F)F)c2)/Cn2cccc12	PC-id_66485720,ZINC22_72414128	307.27	SMOLMVYKZIGZNY-NTMALXAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065881
N#Cc1ccc(c(c1)C(F)(F)F)NCc1nnc2n1CCC2	EMOLS-id_318551092	307.274	ZUAGRLMVHKFFOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065882
N#Cc1ccc(cc1C(F)(F)F)NCc1nnc2n1CCC2	EMOLS-id_318606659	307.274	KLBYJUPTJBDZAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065883
N#Cc1ccc(c(c1)NCc1nnc2n1CCC2)C(F)(F)F	EMOLS-id_318596413	307.274	PMMSHOZZOQKFIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065884
N#Cc1cc(ccc1NCc1nnc2n1CCC2)C(F)(F)F	EMOLS-id_318616774	307.274	MSJYAQNFAZNWQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065885
N#Cc1ccc(cc1NCc1nnc2n1CCC2)C(F)(F)F	EMOLS-id_318639382	307.274	QZFUYRKTSCLXNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065886
N#Cc1cc(NCc2nnc3n2CCC3)ccc1C(F)(F)F	EMOLS-id_318460537	307.274	JGQRCSULVNYSRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065887
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1260446,SPECS-id_AT-084/J158743,TIMTEC21668,PC-id_675860,MCULE-4485765241,ZINC22_38735,ChEMBL-DNDi_CHEMBL2425-4327,SPECS-id_AG-205/06939052,CoCoCo_116410,STOCK1S-35610,SPECS-id_AN-153/I120927	307.289	HTFAWYXPMMBPLN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065888
CCOC(=O)c1sc2c(c1NC(=O)C(F)(F)F)CCC2	TIMTEC22325,PC-id_45034982	307.289	GXQIXYJYBVZITI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065889
O=C(c1sc2c(c1)CCC2)NC(C(=O)O)CC(F)(F)F	PC-id_121642583	307.289	GIGHRGJSWLMMDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065890
s1c2CCCc2cc1C(=O)N(CC(F)(F)F)CC(=O)O	PC-id_78990322	307.289	ASWYTBXHRKKWCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065891
s1c2c(CCC2)cc1C(=O)NC(C(F)(F)F)(C)C(=O)O	PC-id_79795981	307.289	XCACWQRWEJBZGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065892
s1c2c(CCC2)c(c1NC(=O)CCC(F)(F)F)C(=O)O	PC-id_65711089	307.289	HXGSLTYVWBRKMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065893
c12CN(Cc1nn(CC(F)F)c2C(=O)O)Cc1ccccc1	MCULE-8193155943,EMOLS-id_324344937	307.295	OIMPJZAVNNFQOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065894
C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NNC(=S)N	PC-id_137719788	307.295	VFBHQHHVDNDEFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065895
COc1ccc(c(c1F)C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_318730169	307.295	OFEMYWJMTFEUPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065896
COc1ccc(c(c1F)C(=O)Nc1n(C)nc2c1CCC2)F	EMOLS-id_318643231	307.295	LIVVKVVUMRIIPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065897
COc1ccc(c(c1F)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_318862646	307.295	KVAUOGMWQRLZOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065898
COc1ccc(c(c1F)C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_319067400	307.295	CMAVVOXRSCIQRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065899
COc1cc(F)c(c(c1)F)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318623027	307.295	YYGHVWMMAKIVAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065900
COc1cc(F)c(c(c1)F)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318524978	307.295	NNKZPQVHAIQHDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065901
COc1cc(F)c(c(c1)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319767079	307.295	UZRNFLARAUSWGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065902
COc1cc(F)c(c(c1)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319354142	307.295	UFWLXPGJTMTZMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065903
COc1c(F)ccc(c1C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_318753658	307.295	VEGZXYNLVKSPFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065904
COc1c(F)ccc(c1C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_320318287,MCULE-8793478073	307.295	JRHLNDAYZFSDKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065905
COc1c(F)ccc(c1F)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318717056	307.295	GHQGMPQYQREKGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065906
Fc1ccc(c(c1)F)C(NC(=O)c1nn2c(c1)OCC2)(C)C	EMOLS-id_318666687	307.295	UZBXZRUQKKPKPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065907
FC(Oc1cccc(c1)C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_318377450	307.295	CGUXLSMXYKUOLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065908
FC(Oc1ccccc1C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_318440790	307.295	JBXSZAXKNUIKDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065909
FC(Oc1ccc(cc1)C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_318646829	307.295	LKLYSZLAMZQAEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065910
FC(Oc1cccc(c1)C(=O)Nc1n(C)nc2c1CCC2)F	EMOLS-id_318479829	307.295	JHICOPRJVQDOMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065911
FC(Oc1ccccc1C(=O)Nc1n(C)nc2c1CCC2)F	EMOLS-id_318708593	307.295	AKMDDCYLWUEMIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065912
FC(Oc1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2)F	EMOLS-id_318754679	307.295	FVHPTHFAWMDVFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065913
FC(Oc1ccc(cc1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_319424728	307.295	LAAAYFSAPYQKCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065914
FC(Oc1ccccc1C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_320112710,MCULE-6509081470	307.295	BZBPMQZWTPHRNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065915
FC(Oc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_318882598	307.295	PLPDPDNRUZUDPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065916
FC(Oc1ccccc1C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_319003111	307.295	VZRGOFGZWMKBKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065917
O=C(c1cc2n(n1)CCO2)NC(c1ccc(c(c1)F)F)(C)C	EMOLS-id_318455450	307.295	WUZPOXFIFQZVCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065918
OC(c1c(F)cccc1F)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111451405	307.295	YELZZIBPZMMCNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065919
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(cc1F)F	EMOLS-id_319730286	307.295	JGGCVXFSOHABCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065920
O=C(NCc1n[nH]c2c1CCC2)COc1cc(F)cc(c1)F	EMOLS-id_319650728	307.295	SQEXKNDEKVSNKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065921
Fc1cc(cc(c1)F)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318653337	307.299	YDQVWLOQIPJJNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065922
Fc1ccc(c(c1)F)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318657002	307.299	DHCPHCLXPBKVRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065923
Fc1ccc(c(c1)NC(=O)N(Cc1nnc2n1CCC2)C)F	EMOLS-id_318587878	307.299	ZKXCEEPCFAFCAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065924
FC(c1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319463925	307.299	ILZZVJCDLYITEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065925
O=C(c1ccn(n1)C1CC1(F)F)NCc1cnc2n1CCC2	EMOLS-id_319273287	307.299	VLQKMDVQIANLJT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-065926
O=C(c1ccnn1C1CC1(F)F)NCc1cnc2n1CCC2	MCULE-8548084795,EMOLS-id_320129882	307.299	DZHREPYHBFXTFK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-065927
O=C(c1ccn(n1)C1CC1(F)F)NCc1nn2c(c1)CCC2	EMOLS-id_319582051	307.299	XDKYUFSMNQKMQX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-065928
O=C(c1ccn(n1)C1CC1(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320260576,MCULE-5682601167	307.299	JLJZCXUHPRJMHO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-065929
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1C)F)F	EMOLS-id_319030227	307.299	FNNFOXWBMPKYPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065930
O=C(N(Cc1nnc2n1CCC2)C)Nc1ccc(c(c1)F)F	EMOLS-id_318536848	307.299	YJDKOVKCAYGHHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065931
O=C(N(Cc1nnc2n1CCC2)C)Nc1cccc(c1F)F	EMOLS-id_318614857	307.299	SQFQOBYOOXUOHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065932
O=C(N(Cc1nnc2n1CCC2)C)Nc1c(F)cccc1F	EMOLS-id_318467732	307.299	KVKPCPMEJIRKFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065933
s1c2CCCc2nc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1	PC-id_62681839	307.3	CVKVMWDRINZQHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065934
s1c2CCCc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1F	PC-id_61342593	307.3	FKBYBFWXCMXFFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065935
s1c2CCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1	PC-id_60674544	307.3	PTVJWPBHEAWDTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065936
s1c2CCCc2nc1NC(=O)c1c([N+](=O)[O-])ccc(F)c1	PC-id_61511845	307.3	ZKOHBGNJVYMBCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065937
CCCC(C(=O)C(C)c1c(n2C(=N)N=Nc2n1)O)C(=O)OC	PC-id_135429912	307.305	JYLUSPBXSUTLFO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065938
CCC[C@H](C(=O)[C@H](C1=Nc2n(C1=O)c(nn2)N)C)C(=O)OC	CoCoCo_5636979	307.305	XEILZFBCTNMVQV-NKWVEPMBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065939
CCC[C@@H](C(=O)[C@H](C1=Nc2n(C1=O)c(nn2)N)C)C(=O)OC	CoCoCo_5636980	307.305	XEILZFBCTNMVQV-BQBZGAKWSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065940
CCC[C@@H](C(=O)[C@@H](C1=Nc2n(C1=O)c(nn2)N)C)C(=O)OC	CoCoCo_5636981	307.305	XEILZFBCTNMVQV-RQJHMYQMSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065941
CCC[C@H](C(=O)[C@@H](C1=Nc2n(C1=O)c(nn2)N)C)C(=O)OC	CoCoCo_5636982,NSC382923	307.305	XEILZFBCTNMVQV-RNFRBKRXSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065942
O=C(C(CCC)C(=O)OC)C(C1=Nc2n(C1=O)c(nn2)N)C	PC-id_343469	307.305	XEILZFBCTNMVQV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065943
FC(c1ccc(cc1)/C=CCCc1onc2c1CCC2)(F)F	PC-id_142903023	307.31	SVKPGKMVIWDIKR-RJRFIUFISA-N	00000010100000110001000010000000000000000000000000000000	25-01-065944
FC1(F)COCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99315280	307.317	VVDSNYRXZKVNCE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-065945
FC(C(C(=O)NS(=O)(=O)c1cnc2n1CCC2)(C)C)F	EMOLS-id_110389657	307.317	QNFWYUKWTOEFOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065946
FC(COC1CN(C1)S(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_100233478	307.317	LRZQMYREEFFKLI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065947
CC(C)c1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324846315	307.318	INPORKAJXGPNCL-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065948
CCCc1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324848353	307.318	ZLFBZFGCCZUUJP-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065949
CC(C)c1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324845803	307.318	OQGWZSZVQCLNBU-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065950
CCCc1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324847841	307.318	OXFLYIFCIPIGPU-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065951
CCCc1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324845799	307.318	JRINXRSKILRMNB-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065952
CC(C)c1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324851936	307.318	OHGRWTHGMRYJCV-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065953
n12c(=O)c(=Cc3ccc(cc3F)F)sc1nc(C(C)C)n2	MCULE-5203547603	307.318	INPORKAJXGPNCL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065954
n12c(=O)c(=Cc3ccc(c(F)c3)F)sc1nc(C(C)C)n2	MCULE-1473977415	307.318	OQGWZSZVQCLNBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065955
n12c(=O)c(=Cc3cc(F)ccc3F)sc1nc(C(C)C)n2	MCULE-2037838562	307.318	OHGRWTHGMRYJCV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065956
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)CCC	MCULE-9333400321	307.318	ZLFBZFGCCZUUJP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065957
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)CCC	MCULE-8862729407	307.318	OXFLYIFCIPIGPU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065958
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CCC	MCULE-9176932579	307.318	JRINXRSKILRMNB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-065959
OC(=O)C1CCn2c1cc(c2C(=O)c1cocc1)S(=O)C	SCHEMBL10816528,PC-id_20235092	307.322	KWHRJOCVOVPGKJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-065960
CCc1nccn1CCCNC(=O)c1nn2CCOc2c1F	PC-id_91960064	307.323	IDKCZRXLORHFLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065961
c1(NC(=O)c2occ(c(=O)c2)OC)n(C)nc2CSCc12	STOCK7S-67165,MCULE-2043858271,ZINC22_604419054,EMOLS-id_188944461	307.325	QWPWKSCTTJEJDJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-065962
Cc1nnc(NC(=O)COC(=O)c2cc3c(s2)CCC3)o1	MCULE-2823073300,EMOLS-id_36632070,ZINC22_70040624,PC-id_53537450	307.325	CLHFPZINNXOABJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065963
s1c2c(CCC2)c(c1NC(=O)C1=NNC(=O)CC1)C(=O)O	PC-id_43359887	307.325	DISUACVYMZXTPA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-065964
s1c2CCCc2nc1NC(=O)NCc1oc(cc1)C(=O)O	PC-id_80003003	307.325	XENMTJPZULEAPZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-065965
S1C(n2c(C1)c(O)n(c2=O)Cc1ccc([N+](=O)[O-])cc1)C	PC-id_54103353	307.325	NCBIQSXIYDQNBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065966
Cc1sc(C(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-]	MCULE-7674612223,EMOLS-id_44081692,ZINC22_24444598,PC-id_31821539	307.328	BKDXERNSIMRWQH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-065967
CNS(=O)(=O)c1ccc(cn1)C(=O)N1CCn2c1ncc2	EMOLS-id_319914185,MCULE-3213808811	307.328	BPWDUWZYNHJFKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065968
O=C(c1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68440594,SCHEMBL2918344	307.328	YKAGIPQVIJVKCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065969
O=C(c1ccccn1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)C	PC-id_68442245,SCHEMBL2923027	307.328	XUIMAXZCTKYERA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065970
O=C(c1cccnc1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)C	PC-id_68439946,SCHEMBL2916441	307.328	NOEPAZGFECWICS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065971
O=C(c1ccncc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2916967,PC-id_68440120	307.328	XTUSZQKAHKETQP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065972
O=C(N1CCn2c1ncc2)Nc1ccc(nc1)S(=O)(=O)C	MCULE-4972347090,EMOLS-id_320328505	307.328	CTNHEQCGXZPNCM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-065973
s1c2c(CCC2)c(c1NC(=O)c1[nH]nc(n1)N)C(=O)OC	PC-id_62794034	307.328	YLAPAUREJXPIMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065974
s1c2c(CCC2)c(c1NC(=O)c1n[nH]nn1)C(=O)OCC	PC-id_80374462	307.328	SFKFHSNJGFWTKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065975
s1c2CCCc2nc1NC(=O)Nc1cn(nc1)CC(=O)O	PC-id_61509797	307.328	WSENTMQAPOEBPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-065976
CC1CCC(C1)C(S1n2cncc2N=C1C(F)(F)F)O	SCHEMBL20743889	307.335	UKBUWINTBPEGAT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065977
CC1CCCC1C(S1n2cncc2N=C1C(F)(F)F)O	SCHEMBL20744420	307.335	NQRJAWSKAIACCC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065978
O[C@@H](S1C(=Nc2n1cnc2)C(F)(F)F)C1CCCCC1	SCHEMBL20744368	307.335	LKGRYSLPIPODKZ-JTQLQIEISA-N	00000011100010000001000010000000000000000000000000000000	25-01-065979
OC(S1C(=Nc2n1cnc2)C(F)(F)F)C1CC(C1)(C)C	SCHEMBL20744213	307.335	MQWPTNNLFOTOLY-UHFFFAOYSA-N	00001011100000000001000010000000000000000000000000000000	25-01-065980
OC(S1C(=Nc2n1cnc2)C(F)(F)F)C1CCCCC1	SCHEMBL20743998	307.335	LKGRYSLPIPODKZ-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-065981
OC(S1C(=Nc2n1cnc2)C(F)(F)F)CC1CCCC1	SCHEMBL20743280	307.335	NGEVXEMAEVHGSX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-065982
CC/C=C(/C1CC(c2n1nc(n2)C(=O)C1CC1)F)C(=C/C)F	PC-id_142515020	307.338	UUFRHRLCXRJJPG-HRCIMPOESA-N	00100010100000000001000010000000000000000000000000000000	25-01-065983
COc1cc(F)c(Cn2nc3CCC(C)c3c2CN)c(F)c1	MCULE-4937185202,EMOLS-id_330995897	307.338	XAIKRCKAZFUTDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065984
COc1cc(F)c(Cn2nc(CN)c3C(C)CCc23)c(F)c1	MCULE-4265834089,EMOLS-id_331014142	307.338	MEXCDXDUXSHQPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065985
FC(Oc1cc(ccc1C)NC(c1nn2c(c1)CCC2)C)F	EMOLS-id_318366794	307.338	ASAQKJWESOTSPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065986
O=C(c1occ2c1CCC2)Nc1ccc(c(c1)F)S(=O)C	EMOLS-id_318554759	307.34	IDENDIAFTOKVSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065987
COC(=O)C(=O)c1n2CCC(c2c(c1C)C(=O)O)C(C)(C)C	PC-id_139434860,SCHEMBL21296695	307.342	NNWDPUWNGWWUSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065988
COC(=O)C(=O)c1n2CCCc2c(c1C)C(=O)OC(C)(C)C	SCHEMBL21296646,PC-id_139434821	307.342	BWBBDRIVJSTSSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-065989
c1(NC(=O)c2cccc(OC)c2F)n(C)nc2CSCc12	ZINC22_1529146025,EMOLS-id_316152030,MCULE-1999674371,PC-id_134703137	307.343	UIWYGTPKCHRVJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065990
CCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CCC2C(=O)O	PC-id_20253916,SCHEMBL10818214	307.343	IEVCPGJDAIBJLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065991
CCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CC=C2C(=O)O	SCHEMBL10817080,PC-id_70450345	307.343	SCOAKTFXGRFCPS-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-065992
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)C	SCHEMBL10813236	307.343	SZSLKAHKOAWPPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-065993
OC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1ccco1	SCHEMBL1007274,PC-id_59180195	307.343	LLDMPALWEWVBSC-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-065994
s1c2CCCc2nc1Nc1cc(c(N)cc1F)C(=O)OC	PC-id_61991541	307.343	UFWVLMSXHXNUIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-065995
c12CN(Cc1nn(CC1CCC1)c2C(=O)OCC)C(=O)OC	MCULE-5789534802,EMOLS-id_324343407	307.345	KBZDVAHDPLIWHS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065996
c12CN(Cc1nn(CC1CCC1)c2C(=O)OC)C(=O)OCC	EMOLS-id_324342380,MCULE-2449600959	307.345	IBKIDZMEIFBLCV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-065997
CCOC(=O)C1CCCN(C1)C(=O)c1nn2CCOc2c1C	PC-id_91959984	307.345	FMMDZRSCPLPRLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065998
CCOC(=O)C1CCN(CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959970	307.345	QAGZRNISBANRON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-065999
Cn1nc2c(c1C(=O)N[C@]1(CC(=O)O)CCCOC1)CCC2	ZINC22_909698124	307.345	YIURQPNEVLZEEP-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066000
Cn1nc2c(c1C(=O)N[C@@]1(CC(=O)O)CCCOC1)CCC2	ZINC22_909698125	307.345	YIURQPNEVLZEEP-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066001
COCC1(CCCN(C1)C(=O)c1cnn2c1CCC2)C(=O)O	EMOLS-id_318030346	307.345	MGNIMIBAKSYQIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066002
COC(=O)C1N(Cc2c1cn[nH]2)C(=O)OCC1CCCCC1	PC-id_139018606	307.345	ILAUUUGZUHROQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066003
O=C(C1(CCCO1)C(=O)N1CCn2c1ccn2)OC(C)(C)C	MCULE-6291922093,EMOLS-id_258083353	307.345	BGGQVIRTNLRGDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066004
OC(=O)CC1(CCCOC1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_316320922,MCULE-7457234883	307.345	YIURQPNEVLZEEP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066005
s1c2c(CCC2)c(c1NC(=O)C(=O)N1CCCC1)C(=O)[O-]	PC-id_8034796	307.345	ZSGCJDYCNBSHQK-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-066006
O=C(c1cnn2c1CCC2)N1CC2c3c1cccc3C(=O)CC2	MCULE-8953438382,EMOLS-id_313140793	307.346	HJTPCCOYIHFVPP-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-066007
O=C(c1n[nH]c2c1CCC2)N1CC2c3c1cccc3C(=O)CC2	EMOLS-id_111208472	307.346	VZLYNQXVQPOAMB-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-066008
O=C(Nc1n[nH]c2CCCc12)Cc1cc(c2ccoc2)ccc1	PC-id_9857740	307.346	AEXQLPLLRIBLNW-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-066009
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1ccoc1	PC-id_9879619	307.346	PSGJWUBUSDZJCP-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-066010
C1c2nccn2C(S1)C=C1C2N(C1=O)C(=CS2)C(=O)O	PC-id_91107573	307.348	NJZZNEGODQJSOA-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066011
C1CSc2cc(nn12)C=C1C2N(C1=O)C(=CS2)C(=O)O	PC-id_87540856	307.348	BHGUWNPCJQAETH-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066012
C1CSc2nc(cn12)C=C1C2N(C1=O)C(=CS2)C(=O)O	PC-id_87455799	307.348	CSLXNGCKQTXQOK-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066013
C=C1[C@@H]2SC=C(N2C1=O)C(=O)Oc1cn2c(n1)SCC2	SCHEMBL8388476,PC-id_67571391	307.348	GHDYWSDLKSGKTN-JTQLQIEISA-N	00001011100000000001001010000000000000000000000000000000	25-01-066014
COC(=O)c1c(NC(=O)N2CC(C2)N(C)C)nc2n1CCC2	EMOLS-id_319136137	307.348	XDQFUBSTKDTDHM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066015
N12C(=O)/C(=C/c3nn4c(c3)CSC4)/C1SC=C2C(=O)O	CHEMBL1213580,PC-id_21941339	307.348	PIQJFYXOGLAPEL-WAPJZHGLSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066016
O=C1/C(=C/c2cn3c(n2)CSC3)/[C@@H]2N1C(=CS2)C(=O)O	PC-id_68444582,SCHEMBL2929034	307.348	IUIVTSFTFQJQEJ-WFGUMUBESA-N	00001011100000000001001010000000000000000000000000000000	25-01-066017
O=C1C(=Cc2cn3c(n2)CSC3)[C@@H]2N1C(=CS2)C(=O)O	SCHEMBL2929037,PC-id_68444583	307.348	IUIVTSFTFQJQEJ-LLVKDONJSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066018
O=C1/C(=C/c2nn3c(c2)CSC3)/[C@@H]2N1C(=CS2)C(=O)O	PC-id_53319078,SCHEMBL2928233	307.348	PIQJFYXOGLAPEL-GPWUBDCCSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066019
O=C1C(=Cc2nn3c(c2)CSC3)[C@@H]2N1C(=CS2)C(=O)O	SCHEMBL2928235,PC-id_68444295	307.348	PIQJFYXOGLAPEL-LLVKDONJSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066020
OC(=O)C1=CS[C@H]2N1C(=O)C2=Cc1cc2n(n1)CCS2	PC-id_68688223,SCHEMBL3554305	307.348	BHGUWNPCJQAETH-LLVKDONJSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066021
OC(=O)C1=CS[C@H]2N1C(=O)/C/2=C/c1cc2n(n1)CCS2	SCHEMBL3554302,PC-id_68688220	307.348	BHGUWNPCJQAETH-KGHNQEBZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066022
OC(=O)C1=CS[C@@H]2N1C(=O)/C/2=C/c1cn2c(n1)SCC2	PC-id_70292562,SCHEMBL8166355	307.348	CSLXNGCKQTXQOK-NXSJDDFASA-N	00001011100000000001001010000000000000000000000000000000	25-01-066023
OC(=O)C1=CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)SCC2	SCHEMBL2922981,PC-id_9818045	307.348	CSLXNGCKQTXQOK-WXGCRTCVSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066024
OC(=O)C1=CS[C@H]2N1C(=O)C2=Cc1cn2c(n1)SCC2	SCHEMBL2922983,PC-id_57143192	307.348	CSLXNGCKQTXQOK-SNVBAGLBSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066025
S1C2N(C(=O)C2=Cc2nc3n(c2)CSC3)C(=C1)C(=O)O	PC-id_10245994	307.348	IUIVTSFTFQJQEJ-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066026
S1C2N(C(=O)/C/2=C/c2nc3SCCn3c2)C(=C1)C(=O)O	PC-id_17877296	307.348	CSLXNGCKQTXQOK-CLTKARDFSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066027
S1C2N(C(=O)C2=Cc2nn3c(c2)CSC3)C(=C1)C(=O)O	PC-id_10245996	307.348	PIQJFYXOGLAPEL-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066028
S1C2N(C(=O)C2=C)C(=C1)C(=O)Oc1nc2SCCn2c1	PC-id_77316224	307.348	GHDYWSDLKSGKTN-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-066029
c1ccc(CN2Cc3[nH]nc(COc4cccnc4)c3C2)nc1	ZINC22_96260226,CHEMBL3552689,PC-id_97520303,EMOLS-id_44372000	307.35	POYTXSIVVMEPKY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066030
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1[nH]ncn1	EMOLS-id_328221306,MCULE-3970090628	307.35	INYHWZMZVFLJFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066031
N#Cc1cccc(c1)NC1CN(C1)C(=O)c1cnn2c1CCC2	MCULE-5559289049,EMOLS-id_320222410	307.35	WZFJVMYYGAFEJV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-066032
N#Cc1cccc(c1)NC1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319680308	307.35	SIIUZYSVXZROER-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-066033
O=C(NCc1nnc2n1CCC2)c1ccc(n2cccc2)cc1	PC-id_47016897,EMOLS-id_30680912,ZINC22_48287219,MCULE-8161523067	307.35	VKDMJLMDOZPTCT-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-066034
CC(c1ccc(c(c1)F)F)NC(=O)c1sc2c(c1)CCC2	PC-id_112764121	307.358	AELGRCWEKFKNTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066035
Fc1ccc(c(c1)F)CCNC(=O)c1sc2c(c1)CCC2	PC-id_86939486	307.358	AQQOAFKPVWFGQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066036
s1c2CCCc2cc1C(=O)NC(c1c(F)cc(F)cc1)C	PC-id_84956651	307.358	LHPBUBLEMWXKSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066037
s1c2CCCc2cc1C(=O)N[C@H](c1c(F)cc(F)cc1)C	PC-id_9225120	307.358	LHPBUBLEMWXKSU-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-066038
s1c2CCCc2cc1C(=O)N[C@@H](c1c(F)cc(F)cc1)C	PC-id_9225121	307.358	LHPBUBLEMWXKSU-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066039
c1(C(=O)NCCc2sc3c(CCC3)n2)noc(C)c1CO	ZINC22_219326512,MCULE-7181713131,EMOLS-id_55631084,PC-id_91769998	307.368	VTOJTXHMNZTVDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066040
c1(NC(=O)CN(C)CCC(=O)O)sc2c(CCC2)c1C#N	PC-id_84281214,EMOLS-id_179833797,MCULE-7769483022	307.368	XYOXLNCFXPHUQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066041
c1(NC(=O)C(=O)N2CCCC2)sc2c(CCC2)c1C(=O)N	PC-id_8070211,EMOLS-id_4744117,STOCK6S-13018,ZINC22_6756910,CoCoCo_1095692,MCULE-9139305870	307.368	FJMKAVLYJLYXAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066042
CCCOc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-9811623744,EMOLS-id_316462461	307.368	ZKODIEMUOXWGIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066043
CCCOc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316742660	307.368	NQUJIBCBJDAYQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066044
CCOc1ccc(cc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316412205,MCULE-9873009225	307.368	KCKGCLFKFQBKBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066045
CCOc1ccc(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319966855,MCULE-4054947535	307.368	DXMAOPDLXGRJPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066046
CCOc1ccc(c(c1)C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320223556,MCULE-6807748024	307.368	AALMRTBZFZSWRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066047
CC(Oc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_318368889	307.368	RATDDFVQLALYCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066048
CCOc1cccc(S(=O)(=O)N2Cc3cnn(C)c3C2)c1	ZINC22_632584320	307.368	IRRZDSBLTINRMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066049
CCOC(=O)C1CCc2c1nc(s2)NCc1ncc(o1)C	PC-id_106378339	307.368	VSBCTQFAJSVPLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066050
CCOC(=O)C1CCc2c1nc(s2)NCc1noc(c1)C	PC-id_104288126	307.368	NIZKRVWRFBEDGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066051
CCOC(=O)C1CCc2c1nc(s2)NCc1onc(c1)C	PC-id_104288406	307.368	WVSHNNLVLXKHMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066052
CN(Cc1oc2c(n1)CN(C2)S(=O)(=O)c1ccccc1)C	PC-id_97406062	307.368	JKDIYHFKFCLREY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066053
COc1ccc(cc1)CCS(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-9200890347,EMOLS-id_320147089	307.368	XYIGUYMGBWGADG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066054
COc1ccc(cc1S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_316617531	307.368	CNFVNWBBENNSBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066055
COc1ccc(cc1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319281485	307.368	RUNPLUAAQVDWCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066056
COc1cccc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320269134,MCULE-2635392254	307.368	YURGLOWPOPXRHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066057
COc1cc(C)c(cc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316619066	307.368	RXZBPWJGJJNTJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066058
COc1c(C)cc(cc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318365817	307.368	UREHIZBPWLNOHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066059
COc1cc(C)c(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316725747	307.368	NHUOSDUTPVZBQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066060
COc1ccc(S(=O)(=O)N2Cc3cnn(C)c3C2)c(C)c1	MCULE-4333200370,EMOLS-id_177305708,ZINC22_585115316	307.368	VVAACRIHPLKBEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066061
COCc1ccccc1S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318180970	307.368	VBSLEZIVQOCWAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066062
COCc1cccc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-3256934135,EMOLS-id_316443219	307.368	AMSSTIPPLZKWID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066063
COCCc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2	MCULE-2862264245,EMOLS-id_320317011	307.368	AYYCDAJJPSPDBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066064
O=C(CCC1NC(=O)NC1=O)NCc1sc2c(c1)CCC2	EMOLS-id_49329588,MCULE-2526047851,PC-id_75526328	307.368	BRRLYUNWYTZQHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066065
O=C(CC[C@H]1NC(=O)NC1=O)NCc1cc2c(s1)CCC2	PC-id_97964389,ZINC22_97985734	307.368	BRRLYUNWYTZQHH-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066066
O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cc2c(s1)CCC2	ZINC22_97985735,PC-id_97964390	307.368	BRRLYUNWYTZQHH-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-066067
O=C(C(=O)C1Cn2c(C1)ccc2C(=O)N)NC1(C)CSC1	PC-id_141757315	307.368	OKGJGYSDSHPLMI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-066068
OC(=O)C1CCc2c1nc(s2)NC(c1c(C)noc1C)C	PC-id_104289016	307.368	XPIWULHXTYAZQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066069
[O-][S+]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccco1	ChEMBL-DNDi_CHEMBL1566779,CHEMBL1566779,PC-id_3235964	307.368	YGLQZCHTMSYSSC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-066070
O=[S@@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccco1	CoCoCo_4985525	307.368	YGLQZCHTMSYSSC-NRFANRHFSA-N	00000010101000000001000010000000000000000000000000000000	25-01-066071
O=[S@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccco1	PC-id_11859863,CoCoCo_4985526	307.368	YGLQZCHTMSYSSC-OAQYLSRUSA-N	00000010101000000001000010000000000000000000000000000000	25-01-066072
C(=O)(Nc1sc2CCCc2c1C#N)c1ccccc1CC#N	EMOLS-id_328159216,MCULE-5522894145	307.37	BXLQDSBMTHDMLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066073
N#Cc1ccc(cc1)CC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318466919	307.37	CRTBZJJEMJHHAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066074
Cc1csc(=O)n1CCC(=O)NCc1nnc2n1CCC2	ZINC22_54905780,PC-id_53517560,MCULE-6763516766,EMOLS-id_35689936	307.371	WXJJASWKLDDYNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066075
Cc1nccc(c1)S(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_320237025,MCULE-2356952820	307.371	CZQXGHCJBYVBGC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066076
CC(=CC(=O)NC1c2c(NN1)nc(s2)NC(=O)C1CC1)C	PC-id_89358881,SCHEMBL14531133	307.371	YJFFTCNCMKVSKM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-066077
CCOC(=O)C1CCc2c1nc(s2)NCc1ncn(n1)C	PC-id_105901191	307.371	IYNCQBDAPVQRQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066078
CCOC(=O)C1CCc2c1nc(s2)N(Cc1ncn[nH]1)C	PC-id_104288928	307.371	HFMSBTJEJURIMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066079
CCOC(=O)C1CCc2c1nc(s2)NC(c1ncn[nH]1)C	PC-id_106284025	307.371	YZOZUTYZNHDGHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066080
CCOC(=O)C1CCc2c1nc(s2)NCc1nncn1C	PC-id_104288574	307.371	TUDGKHZRJQOBLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066081
CCOC(=O)C1CCc2c1nc(s2)NCCc1ncn[nH]1	PC-id_104288949	307.371	XWYUDMZCYQZGJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066082
CCOC(=O)C1CCc2c1nc(s2)NCCn1nncc1	PC-id_104449772	307.371	BXWREIJENKULIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066083
Cn1nc2c(c1NS(=O)(=O)c1cnc3n1CCC3)CCC2	EMOLS-id_97700039	307.371	XJHQASLSYPMJKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066084
Cn1nc(cc1C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99626973	307.371	WECUJIJKVZQEAA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-066085
CN(c1ccc(nc1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97705019	307.371	QEAMSIGCKOXYRP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066086
CN(c1ncccc1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101130198	307.371	SISTYCAJMGERPJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066087
CSCC[C@@H](c1n[nH]nn1)NC(=O)c1occ2c1CCC2	EMOLS-id_316555947	307.371	JRQAYNROZTTWBY-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-066088
N#CC1OCCN(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99909360	307.371	KDXNRNJGSMXTJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066089
O=C(c1cn(c(=O)n1C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_278779199	307.371	OICXJTGAVUXYOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066090
O=C(Cn1ncn(c1=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181791	307.371	PXCPJJDZXXYVBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066091
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1noc(n1)C	EMOLS-id_102003597,MCULE-2667984265	307.371	MZMFFSUUOJIYJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066092
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1onc(n1)C	EMOLS-id_102007143	307.371	SWDNWQZJLAMNPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066093
O=C(NCc1n2CCCc2nn1)C1C[NH+](CCC1)CC(=O)N	PC-id_75841200	307.371	LVWUUIUTNXPIBJ-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-066094
O=C(NCc1n2CCCc2nn1)[C@H]1C[NH+](CCC1)CC(=O)N	PC-id_52402228	307.371	LVWUUIUTNXPIBJ-SNVBAGLBSA-O	00000010100010000001000010000000000000000000000000000000	25-01-066095
O=C(NCc1n2CCCc2nn1)[C@@H]1C[NH+](CCC1)CC(=O)N	PC-id_52402230	307.371	LVWUUIUTNXPIBJ-JTQLQIEISA-O	00000010100010000001000010000000000000000000000000000000	25-01-066096
O=S(=O)(c1ccnn1CC1CCC1)N1CCn2nccc12	ZINC22_903630115,EMOLS-id_316948727,MCULE-9489329139	307.371	KOYSKJRUVBWKTF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066097
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)n1cccn1	EMOLS-id_99723022	307.371	LTRHPXFWFPMMQG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-066098
O=S(=O)(c1cnn(c1)C1CCCC1)N1Cc2c(C1)cn[nH]2	EMOLS-id_318367610	307.371	YLUGMZAAQIXMIK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-066099
O=S(=O)(c1cnn(c1)CC1CCC1)N1Cc2c(C1)cn[nH]2	EMOLS-id_319742017	307.371	LOKRLSAKBDCYAX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066100
O=S(=O)(N1CCn2c1ncc2)c1cnn(c1)C1CCCC1	EMOLS-id_319308328	307.371	DBUVKYHXILKOJJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-066101
O=S(=O)(N1CCn2c1ncc2)c1cnn(c1)CC1CCC1	EMOLS-id_318976941	307.371	WSEICAOJMSPEEY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066102
O=S(=O)(NCc1ccccc1)NCc1nnc2n1CCC2	MCULE-8143273458,ZINC22_71715072,EMOLS-id_43097651,PC-id_56866992	307.371	UZXMUXVFCALIGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066103
s1cc(nc1N)CCC(=O)N1Cc2n(ncc2C1)CCO	PC-id_74244566	307.371	ABXJWNUDZHTRJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066104
S(=O)(=O)(c1c(NCc2n[nH]c3c2CCC3)nc(nc1)C)C	PC-id_72877919	307.371	LVUCBOOXORYXCJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066105
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(N)cc1	PC-id_61114009	307.371	QMSLGUBGPGURRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066106
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1cc(N)ccc1	PC-id_61114008	307.371	PVBCGRRHUHRDDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066107
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(N)cccc1	PC-id_61114195	307.371	CAOPJENWVFSILR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066108
CCc1n[nH]c(SCC(=O)NCc2nnc3CCCn23)n1	MCULE-5039996114,EMOLS-id_55706004,ZINC22_223699624,PC-id_91795829	307.375	KYRAGIGKSSTEMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066109
CCCc1nnc(n1N)SCC(=O)N1CCn2c1ncc2	EMOLS-id_258164362,MCULE-5185643524	307.375	CSGPCSLHVXRQRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066110
CCCc1nnc(NC(=O)NCc2nnc3n2CCC3)s1	MCULE-1077674744,EMOLS-id_31946189,PC-id_51080254,ZINC22_43556550	307.375	XDVBZKYDZPCSRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066111
O=C(Nc1snc(n1)C(C)C)NCc1nnc2n1CCC2	EMOLS-id_318822470	307.375	ZVRLPGDHVHFFKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066112
s1c2c(CCC2)cc1C(N)c1cc(OC)c(OC)cc1F	PC-id_62867957	307.383	VNNWWKSFOIYHOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066113
Cc1oc2c(c1OC(=O)C(C)(C)C)CCN2C(=O)C(C)(C)C	PC-id_101153695	307.385	PCVWVSRKFADTLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066114
CCCCOC(=O)C1CCn2c1c(cc2)C(=O)OCCCC	SCHEMBL10816396,PC-id_70450135	307.385	DOWMSSPKLBTTDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066115
OCC(C(C1CCCCC1)O)NC(=O)c1occ2c1CCC2	EMOLS-id_279002285	307.385	UQPVZBWCXSAKFD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066116
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@](C(C)(C)C1)(COC)O	ZINC22_91986849,EMOLS-id_44742914,PC-id_70777432,MCULE-6561832568	307.388	HRZFKXYOPAGWNN-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066117
c1(CN(C)C(=O)COCC2CCCCO2)c2CCCc2[nH]n1	PC-id_91779832,MCULE-7064680315,EMOLS-id_55659358	307.388	JUNAAJBUIJFAPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066118
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AG-690/36956013,MCULE-4097725205,ZINC22_1904937,CoCoCo_399114,BAS-11831676,PC-id_1638477,EMOLS-id_1533547	307.388	QVRYEPSONOKKOG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066119
c1(NC(=O)Cc2cccs2)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129468,PC-id_28860224,MCULE-6750071952	307.388	GSUXSDTWBQKZON-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066120
C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1c2c(nn1C)CCC2	PC-id_95163971,ZINC22_65855770	307.388	QGNVWBVTRFSSNB-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066121
C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1c2c(nn1C)CCC2	PC-id_97065435,ZINC22_89518794	307.388	QGNVWBVTRFSSNB-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066122
C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1c2c(nn1C)CCC2	PC-id_97065436,ZINC22_89518795	307.388	QGNVWBVTRFSSNB-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066123
C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1c2c(nn1C)CCC2	ZINC22_89518796,PC-id_97065437	307.388	QGNVWBVTRFSSNB-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066124
CN(Cc1n[nH]c2c1CCC2)C(=O)COC[C@@H]1CCCCO1	ZINC22_220582523,PC-id_100061299	307.388	JUNAAJBUIJFAPA-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066125
CN(Cc1n[nH]c2c1CCC2)C(=O)COC[C@H]1CCCCO1	ZINC22_220582582,PC-id_100061300	307.388	JUNAAJBUIJFAPA-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066126
COc1cc(Nc2scc3CCC[n+]23)cc(OC)c1OC	EMOLS-id_317420404,MCULE-3848717791	307.388	IPWSWYPXNTZDNI-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-066127
COCC1(O)CCCN(CC1)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319658700	307.388	RRXVEUWJVMINKC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-066128
COC(=O)c1c(NC(=O)c2ccsc2)sc2c1CCC2	MCULE-9534183367,EMOLS-id_259571211,ZINC22_60750612	307.388	FHDJZYXBUOFJAD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066129
CSc1cc2n(c1C(=O)c1cccs1)CCC2C(=O)O	PC-id_20235126,SCHEMBL10815085	307.388	QINUERUGDSKVEG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066130
O1C(CCCC1)COC(C(=O)Nc1n(nc2c1CCC2)C)C	EMOLS-id_45756413,PC-id_71883640,MCULE-8159145095	307.388	QGNVWBVTRFSSNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066131
OC1(C(CN(CC1)C(=O)c1n[nH]c2c1CCC2)(C)C)COC	PC-id_77917496	307.388	HRZFKXYOPAGWNN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066132
O=C(c1n[nH]c2c1CCC2)NCC(C1(O)CCOCC1)(C)C	EMOLS-id_101791541	307.388	MIARGGKXHACDGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066133
O=C(c1sc2c(c1)CCC2)Nc1c(C)csc1C(=O)O	PC-id_114914769	307.388	WSKYAYUSUPHGAR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066134
O=C(c1sc2c(c1)CCC2)NCc1ccc(s1)C(=O)O	PC-id_122110983,EMOLS-id_72917913,MCULE-4433732137	307.388	FOBJNMBVXKCAKV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066135
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1ccccc1	EMOLS-id_318543925	307.388	VIGRWOFNWCTTDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066136
O=C(c1sc2c(c1)CS(=O)(=O)C2)NCc1ccccc1	PC-id_6623187,MCULE-2140942631,EMOLS-id_2624886	307.388	ODKFOFFWEATISV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066137
OCC(C(C1CCCCC1)O)NC(=O)c1cnn2c1CCC2	EMOLS-id_319228831	307.388	BFMMMMHCPMHORU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066138
OCC(C(C1CCCCC1)O)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319159703	307.388	ZXMOUTVHGINJKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066139
O=C(N1Cc2c(C1)nc(o2)CN1CCCCC1)OC(C)(C)C	PC-id_112719889	307.388	MEIHLBBNGCSNKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066140
OC(=O)[C@@H]1C[C@H](CN1Cc1cnc2n1CCC2)OC(C)(C)C	EMOLS-id_318770111	307.388	ZRILWNNLFRFCTA-OLZOCXBDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066141
s1c2CCCc2cc1C(=O)Nc1c(scc1)C(=O)OC	PC-id_43406374	307.388	BQLGMXDYXGDAFV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066142
s1c2CCCc2cc1C(=O)Nc1sc(c(c1)C)C(=O)O	PC-id_29042882	307.388	OCVSGLPOFVTMPM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066143
s1c2CCCc2cc1C(=O)Nc1sc(cc1C(=O)O)C	PC-id_63615348	307.388	HSBSACRIKRTYRV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066144
s1c2c(CCC2)c(c1NC(=O)c1c(csc1)C)C(=O)O	PC-id_79803129	307.388	OKOZQYJIMGUZNG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066145
s1c2c(CCC2)c(c1NC(=O)c1sccc1C)C(=O)O	PC-id_43328014	307.388	BJQGQTHZDHDFEX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066146
s1c2c(CCC2)c(c1NC(=O)c1sc(cc1)C)C(=O)O	PC-id_43328015	307.388	RFQALSKDDJONDL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066147
s1c2c(CCC2)c(c1NC(=O)Cc1ccsc1)C(=O)O	PC-id_43328007	307.388	CAPFMXDVPZBNLI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066148
s1c2c(CC(C2=NOS(=O)(=O)c2ccccc2)C)cc1	PC-id_21815345	307.388	SCGWVXQQWXUTLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066149
s1c2CC(C(=NOS(=O)(=O)c3ccccc3)c2cc1)C	PC-id_21815340	307.388	PSIPDWTWCKEULP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066150
Cc1c2CCCc2c([nH]1)/C(=C/1C(=CC(=N1)c1ccc[nH]1)OC)/C	PC-id_136152576	307.39	RDRFXDKHOUHYHZ-YBFXNURJSA-N	00000011110000000000100010000000000000000000000000000000	25-01-066151
Cc1c2CCCc2c([nH]1)C(=C1C(=CC(=N1)c1ccc[nH]1)OC)C	PC-id_136649218	307.39	RDRFXDKHOUHYHZ-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-066152
CC1CCc2c1c(nn2Cc1ccc(OCC2CC2)cc1)C#N	MCULE-4207945385,EMOLS-id_331019509	307.39	VBKZTHQZFNCIMV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-066153
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(C#N)c12	EMOLS-id_331000255,MCULE-4084004313	307.39	SLBKRLSEICUJFL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-066154
O(c1/c(=C(c2[nH]c(c3c2CCC3)C)/C)/[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_58760696	307.39	CJUAIEYAVBDWRA-SSLPNJJKSA-N	00000011110000000000100010000000000000000000000000000000	25-01-066155
O(c1c(=C(c2[nH]c(c3c2CCC3)C)C)[nH]c(=C2N=CC=C2)c1)C	PC-id_72415453	307.39	CJUAIEYAVBDWRA-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-066156
O(C1=CC(=N/C/1=C/c1n(c2c(CCC2)c1)C)c1n(ccc1)C)C	PC-id_59896542	307.39	HGVKXLAMCWOVBG-LFIBNONCSA-N	00000011110000000000100010000000000000000000000000000000	25-01-066157
O(C1=CC(=NC1=Cc1n(c2c(CCC2)c1)C)c1n(ccc1)C)C	PC-id_72590632	307.39	HGVKXLAMCWOVBG-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-066158
O=C(C1CC21CCc1c2cccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319436203	307.39	WNBRGLHZTDANIJ-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-066159
O=C(c1n[nH]c2c1CCC2)N1CCCC1C=Cc1ccccc1	EMOLS-id_318618975	307.39	DNIWRIIUOOSYEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066160
c12SCCn1cc(CNC(=O)c1csc(C(=O)C)c1)n2	MCULE-2451608772,CHEMBL4578819,ZINC22_96131813,EMOLS-id_49143750,PC-id_72843322	307.391	IKEOOWLJBZARPF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-066161
c1(C(=O)NCCN2CCN(CC2)C)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_317426272,MCULE-6454627696	307.391	VNOCNUQKIGLFNK-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066162
CC(C)N(C)CC(=O)N1Cc2c(C(=O)N(C)C)nn(C)c2C1	EMOLS-id_313748689,ZINC22_1565551521	307.391	OOAWKANCJLLLIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066163
CCOC(=O)N1CCC(CC1)NCC1Cc2nnc(C)n2C1	PC-id_137345346,EMOLS-id_317514343,MCULE-7361344498	307.391	JCAQELWOFXNHOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066164
CCOC(=O)N1CCC(NC[C@H]2Cc3nnc(C)n3C2)CC1	ZINC22_1772701212	307.391	JCAQELWOFXNHOV-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066165
CCOC(=O)N1CCC(NC[C@@H]2Cc3nnc(C)n3C2)CC1	ZINC22_1772701215	307.391	JCAQELWOFXNHOV-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066166
COC1(C)CC(C1(C)C)NC(=O)NCc1nnc2n1CCC2	MCULE-9336020672,PC-id_75375311,EMOLS-id_48245935	307.391	TYJZHWGFUMRWNJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066167
CO[C@]1(C)C[C@@H](NC(=O)NCc2nnc3n2CCC3)C1(C)C	PC-id_95908747,ZINC22_73568835	307.391	TYJZHWGFUMRWNJ-MEBBXXQBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066168
CO[C@@]1(C)C[C@@H](NC(=O)NCc2nnc3n2CCC3)C1(C)C	PC-id_95908749,ZINC22_73568837	307.391	TYJZHWGFUMRWNJ-BMIGLBTASA-N	00001010100000000001000010000000000000000000000000000000	25-01-066169
CO[C@]1(C)C[C@H](NC(=O)NCc2nnc3n2CCC3)C1(C)C	ZINC22_73568836,PC-id_95908748	307.391	TYJZHWGFUMRWNJ-ZUZCIYMTSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066170
CO[C@@]1(C)C[C@H](NC(=O)NCc2nnc3n2CCC3)C1(C)C	ZINC22_73568838,PC-id_95908750	307.391	TYJZHWGFUMRWNJ-BONVTDFDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066171
COCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1	EMOLS-id_73009433,ZINC22_252500492,MCULE-4805611781,PC-id_121526198	307.391	SWTJHEYCSKUEJB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066172
OCC1(CC1)CNC(=O)NC(c1n2CCCc2nn1)C(C)C	PC-id_71981454	307.391	BCTZHUXMQDVLSS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-066173
OCC1(C)CCCC1NC(=O)NCCc1nnc2n1CCC2	PC-id_112046029	307.391	PWNXKQFBSISRKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066174
OCC1CCCCC1NC(=O)NCCc1nnc2n1CCC2	PC-id_112046038	307.391	JGKXTGPJGWIIDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066175
O=C(CSc1cccc[n+]1[O-])Nc1nc2c(s1)CCC2	EMOLS-id_44537330,ZINC22_48583407,PC-id_47287390	307.391	YBABBYOPANMBTH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066176
O=C(NC1CCOC(C1)C(C)C)NCc1nnc2n1CCC2	EMOLS-id_98674489	307.391	YAJOOCHTGZAUKH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066177
O=C(Nc1ccsn1)CNC(=O)c1sc2c(c1)CCC2	MCULE-8000618481,EMOLS-id_320028475	307.391	NPINLUVPWCQSTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066178
O=C(NC(c1nnc2n1CCC2)C)NC(C1CCCOC1)C	EMOLS-id_99147781	307.391	QPMOTEBUNZDSHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066179
O=C(NC(c1nnc2n1CCC2)C)NCCC1CCCCO1	EMOLS-id_99147775	307.391	XZWYOYAAEDTSRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066180
O=C(NC(c1nnc2n1CCC2)C)NCCOC1CCCC1	EMOLS-id_98765121	307.391	BSULAVVASOWVMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066181
O=C(N(CCN1CCOCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_319008959	307.391	YRYHMLXWOIMDNN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066182
O(C(=O)N1Cc2[nH]c(nc2C1)CN1CCNCC1)C(C)(C)C	PC-id_83949410	307.391	CRHDQIBLSUPHPH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066183
s1c2CCCc2cc1C(=O)Nc1scc(n1)C(=NO)C	PC-id_64556134	307.391	DOQOSSQCDVJMGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066184
s1c2CCCc2c(c1NC(=O)C(=O)NCC[NH+](C)C)C#N	PC-id_8029905	307.391	IJIWNCYDSNBHBI-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-066185
c1(CN2CCC(CC2)(c2ccccc2)C#N)nnc2CCCn12	ZINC22_1848916218,MCULE-7284600370,EMOLS-id_336475512	307.393	OBFQIYBWGHWCDA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-066186
c1(Cn2cc(nn2)CC(C)c2ccccc2)c2CCCc2[nH]n1	EMOLS-id_36463563,MCULE-2989761128,PC-id_56721504	307.393	IZAUYDUYWYLAHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066187
c1(CN(C)Cc2cccc(c2)n2cccn2)c2CCCc2[nH]n1	PC-id_118778454,ZINC22_299784569,MCULE-5597545774,EMOLS-id_68907123	307.393	PPRIIWCOAONMBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066188
c1(CN(C)Cc2ccc(cc2)n2ccnc2)c2CCCc2[nH]n1	EMOLS-id_49877256,PC-id_77084745,ZINC22_215448566,MCULE-4791848897	307.393	RLUDGZJWAXKTSF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066189
Cc1nc(c2cccc(NCc3cnn4c3CCC4)c2)[nH]c1C	ZINC22_1875284079,PC-id_146145334	307.393	NUOBYRXGCNKHBB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066190
Cc1nccn1c1ccc(CNCc2cc3n(n2)CCC3)cc1	ZINC22_2325774374	307.393	VDQWELQRRCPRPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066191
C[C@@H](Cc1cn(Cc2n[nH]c3c2CCC3)nn1)c1ccccc1	PC-id_95228216,ZINC22_67955614	307.393	IZAUYDUYWYLAHU-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066192
C[C@H](Cc1cn(Cc2n[nH]c3c2CCC3)nn1)c1ccccc1	PC-id_95228217,ZINC22_67955616	307.393	IZAUYDUYWYLAHU-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066193
N#CC1CCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318716368,MCULE-1576877423	307.393	QONPHDPTBCOXAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066194
CN=C(NCc1nnc2n1CCC2)NCC(=O)NC(C)(C)C	PC-id_119117072	307.395	ZJIDWEUHTTUINK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066195
CCCNC(c1cccc(c1F)F)c1sc2c(c1)CCC2	PC-id_115861872	307.401	YXGKADYUJFSSEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066196
CCCNC(c1c(F)cccc1F)c1sc2c(c1)CCC2	PC-id_115859757	307.401	JALMHCVPTLYCQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066197
CCCNC(c1sc2c(c1)CCC2)c1cc(F)cc(c1)F	PC-id_115851561	307.401	YEYRBMPGFLYSEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066198
CCNC(c1ccc(c(c1F)F)C)c1sc2c(c1)CCC2	PC-id_107516078	307.401	UUKNITMSXUTMGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066199
CCNC(c1c(F)ccc(c1F)C)c1sc2c(c1)CCC2	PC-id_105027235	307.401	HJGCHMQGDXCFLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066200
CCNC(c1sc2c(c1)CCC2)Cc1cc(F)cc(c1)F	PC-id_105412519	307.401	YWJQUHKMSOPHMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066201
CCNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1F	PC-id_115810462	307.401	KAGZIHGFRZQZDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066202
s1c2c(CCC2)cc1CNC(c1c(F)cc(c(F)c1)C)C	PC-id_80106212	307.401	NWUZWXZPGRPZDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066203
s1c2c(CCC2)cc1C(NCC)c1cc(c(F)cc1F)C	PC-id_79725637	307.401	HRTXNCYHAYDGOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066204
s1c2c(CCC2)cc1C(NCC)c1c(F)cc(c(F)c1)C	PC-id_80119535	307.401	FRBQEPZNWODASC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066205
s1c2c(CCC2)cc1C(NCCC)c1cc(F)c(F)cc1	PC-id_43496455	307.401	SVBORTMKOSMZCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066206
s1c2c(CCC2)cc1C(NCC)Cc1cc(F)c(F)cc1	PC-id_80379563	307.401	JZPKKUNXWGPTQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066207
s1c2c(CCC2)cc1C(NCC)Cc1c(F)cccc1F	PC-id_80377626	307.401	VMJGWNSFHMBETM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066208
s1c2c(CCC2)cc1C(NCCC)c1c(F)ccc(F)c1	PC-id_43495631	307.401	LDCHEEIVOVKHRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066209
s1c2c(CCC2)cc1C(NCCC)c1c(F)cc(F)cc1	PC-id_43496246	307.401	IYJUOEIYRPSLKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066210
s1c2c(CCC2)cc1C(NCC)Cc1c(F)cc(F)cc1	PC-id_80388363	307.401	ZQWPAIVIVNLWDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066211
s1c2c(CCC2)cc1C(NCC)Cc1c(F)c(F)ccc1	PC-id_80115354	307.401	CYCPWSIWTKRWMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066212
C1(CCC(=O)Nc2sc3CCCc3c2C(=O)OCC)CC1	MCULE-9417651316,EMOLS-id_328195257	307.408	IRGBHXKJVKMZER-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066213
c1(NC(=O)C2CCCCC2)sc2c(CCC2)c1C(=O)OC	TIMTEC295435,EMOLS-id_3212313,ZINC22_483878,PC-id_903617,CoCoCo_2889310,MCULE-5199073666	307.408	LTFPQMHTCFYFHM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066214
CC1CC(C(C1)C(=O)NCc1sc2c(c1)CCC2)C(=O)O	PC-id_114390775	307.408	SXOCUWCOYDOORD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066215
CC1C[C@H]([C@H](C1)C(=O)NCc1sc2c(c1)CCC2)C(=O)O	PC-id_105636628	307.408	SXOCUWCOYDOORD-COKTVNPCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066216
CCC1CCN(C(C1)C(=O)O)C(=O)c1sc2c(c1)CCC2	PC-id_114427317	307.408	RTUBYSSUHSWWQJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066217
CCCC1(CCCN1C(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_106976962	307.408	AFHPVYJGVPSMJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066218
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)C1CC1	EMOLS-id_331275831	307.408	ISXJCNUALYHWMZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066219
CC(C(=O)NC1CCCC1)OC(=O)c1sc2c(c1)CCC2	MCULE-5156673285,PC-id_4290107,EMOLS-id_257825422	307.408	BIUJGQRFERUZAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066220
C[C@H](C(=O)NC1CCCC1)OC(=O)c1sc2c(c1)CCC2	CoCoCo_2840859,PC-id_7291901	307.408	BIUJGQRFERUZAE-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066221
C[C@@H](C(=O)NC1CCCC1)OC(=O)c1sc2c(c1)CCC2	PC-id_7291900,CoCoCo_2840860	307.408	BIUJGQRFERUZAE-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-066222
CCOC(=O)c1c2c(CCC2)sc1NC(=O)C1CCCC1	ZINC22_2640179,MCULE-3135086968,CoCoCo_3268296,PC-id_2103132,EMOLS-id_43416481	307.408	IURLTBCIFDNDGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066223
COC(=O)C1CCC(CC1)NC(=O)c1sc2c(c1)CCC2	PC-id_115617115	307.408	RPNXQXLNIMFQKW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066224
O=C(C1C(C1(C)C)(C)C)Nc1sc2c(c1C(=O)O)CCC2	SCHEMBL4091622,PC-id_66477408	307.408	GGASFDXKRQIZFT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066225
O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1C1OCCO1	PC-id_95270691,ZINC22_69298894	307.408	OPPKUDAEXNBWFC-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-066226
O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1C1OCCO1	ZINC22_69298896,PC-id_95270692	307.408	OPPKUDAEXNBWFC-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-066227
O=C(C1CCCC1(C)C)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107175149	307.408	ZSOLBYABMNOVIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066228
O=C(c1sc2c(c1)CCC2)NC1(CCCCCC1)C(=O)O	EMOLS-id_51075591,MCULE-1148843646,PC-id_43341646	307.408	LJKSCQNIRBMENO-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066229
O=C(c1sc2c(c1)CCC2)NC1(C)CCCCC1C(=O)O	PC-id_120545500,MCULE-2653489319,EMOLS-id_57675853	307.408	XXSIRSFFAMBUQP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066230
O=C(c1sc2c(c1)CCC2)NCC1(CCCCC1)C(=O)O	PC-id_115435765,MCULE-5785934661,EMOLS-id_57199107	307.408	BKBZPLZWNUCLHY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066231
O=C(c1sc2c(c1)CCC2)N[C@H]1CCCCC[C@H]1C(=O)O	PC-id_121866877	307.408	PIOODVKZVOOJOJ-NEPJUHHUSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066232
O=C([C@@H]1CCCC[C@@H]1C(=O)O)NCc1sc2c(c1)CCC2	PC-id_105636632	307.408	LCTIYKSNKDVXIH-OLZOCXBDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066233
O=C(N1CCC(C1)(C(C)C)C(=O)O)c1sc2c(c1)CCC2	PC-id_106982547,MCULE-5470457161,EMOLS-id_71390542	307.408	MSKUYBXPYUXHKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066234
O=C(N1CCCCC1C1OCCO1)c1sc2c(c1)CCC2	MCULE-3636403006,PC-id_53545657,EMOLS-id_36317744	307.408	OPPKUDAEXNBWFC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-066235
O=C(N1CCCC(C1C(=O)O)(C)C)c1sc2c(c1)CCC2	PC-id_105575260	307.408	IOOZKNUFDJDWMJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066236
O=C(N(C1(CCCCC1)C(=O)O)C)c1sc2c(c1)CCC2	PC-id_120539606	307.408	ZMMVBDOHHPBUBZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066237
O=C(N[C@@H]1CCC[C@H](C(=O)O)CC1)c1cc2c(s1)CCC2	ZINC22_1875287250	307.408	AZWWZHBDEAGPGS-CMPLNLGQSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066238
O=C(N[C@H]1CCC[C@H](C(=O)O)CC1)c1cc2c(s1)CCC2	ZINC22_1875287251	307.408	AZWWZHBDEAGPGS-JQWIXIFHSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066239
O=C(N[C@H]1CCC[C@@H](C(=O)O)CC1)c1cc2c(s1)CCC2	ZINC22_1875287252	307.408	AZWWZHBDEAGPGS-PWSUYJOCSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066240
O=C(N[C@@H]1CCC[C@@H](C(=O)O)CC1)c1cc2c(s1)CCC2	ZINC22_1875287253	307.408	AZWWZHBDEAGPGS-ZYHUDNBSSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066241
OC(=O)c1c(sc2c1CCC2)NC(=O)C1(C)CCCCC1	PC-id_106826169	307.408	JLBNUEPCVURZJH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066242
OC(=O)CC1CCCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_318483466,MCULE-2303131780	307.408	AEORDMKRBFIGKG-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066243
OC(=O)CCC1CCCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_51568241,MCULE-1909506074,PC-id_62216594	307.408	HFOXZHDYIGRDPX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066244
OC(=O)CCC1CCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_61706311,EMOLS-id_51375940,MCULE-2634656919	307.408	VAKMDTXEJUABDF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066245
s1c2c(CCC2)cc1CNCC(O)COCc1occc1	PC-id_61208557	307.408	XRNDVHLEBPMJQX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-066246
s1c2c(CCC2)cc1CNC(=O)C1C(CCCC1)C(=O)O	PC-id_61206670	307.408	LCTIYKSNKDVXIH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066247
s1c2c(CCC2)cc1CNC(=O)CC1(CCCC1)C(=O)O	PC-id_61206669	307.408	PZYCXPQCWIPLFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066248
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)CCC(=O)O	PC-id_62217652	307.408	VBWHJIQMPLZLGV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066249
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)CC(=O)OC	PC-id_61009953	307.408	NFVBEYZCOCGGMR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066250
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)C(=O)OCC	PC-id_43405095	307.408	JKQPWLUSHQQOCK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066251
s1c2c(CCC2)cc1C(=O)N1CC(CCC1)C(=O)OCC	PC-id_43405621	307.408	ALWYZIHFZGIWJC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066252
s1c2c(CCC2)cc1C(=O)N1C(CCCC1)C(=O)OCC	PC-id_78915886	307.408	UMAYFAMSOIOSBB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066253
s1c2c(CCC2)cc1C(=O)N1C[C@H](CCC1)C(=O)OCC	PC-id_81338266	307.408	ALWYZIHFZGIWJC-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066254
s1c2c(CCC2)cc1C(=O)N1C[C@@H](CCC1)C(=O)OCC	PC-id_81338658	307.408	ALWYZIHFZGIWJC-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066255
s1c2c(CCC2)cc1C(=O)N(C1CCCC1)CC(=O)OC	PC-id_80718155	307.408	YDNJOIDCNOHAOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066256
s1c2c(CCC2)cc1C(=O)NC1(CCC(CC1)C)C(=O)O	PC-id_43341432	307.408	HTNJFGLFKJZOSD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066257
s1c2c(CCC2)cc1C(=O)NC1(CCCCC1)C(=O)OC	PC-id_51338126	307.408	PUZFHHQRVTXGPA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066258
s1c2c(CCC2)cc1C(=O)NC1C(CCCCC1)C(=O)O	PC-id_80129295	307.408	PIOODVKZVOOJOJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066259
s1c2c(CCC2)cc1C(=O)NC(C1CCCCC1)C(=O)O	PC-id_61014774	307.408	OVAONMWBYGZRAQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066260
s1c2c(CCC2)cc1C(=O)NCC1C(CCCC1)C(=O)O	PC-id_65888713	307.408	CYKZCAWRZUFPRL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066261
s1c2c(CCC2)cc1C(=O)NCC1CCC(CC1)C(=O)O	PC-id_79526491	307.408	HKCRVUJWNNNMAM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066262
s1c2CCCc2cc1C(=O)OCC(=O)NC1CCCCC1	PC-id_3983810	307.408	ADHVCDPDUMQEFV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066263
s1c2c(CCC2)c(c1NC(=O)C1CCC(CC1)C)C(=O)O	PC-id_81876682	307.408	WXDPLVAYDMUFTD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066264
s1c2c(CCC2)c(c1NC(=O)C1CCCCCC1)C(=O)O	PC-id_63404894	307.408	HFXYMEHQKGINNW-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066265
s1c2c(CCC2)c(c1NC(=O)CC1CCCC1)C(=O)OC	PC-id_54786211	307.408	PSRXAUDBFZFKTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066266
s1c2c(CCC2)c(c1NC(=O)CC1CCCCC1)C(=O)O	PC-id_43328010	307.408	MKXMXKRLWSWZOJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066267
s1c2c(CCC2)c(c1NC(=O)CCC1CCCC1)C(=O)O	PC-id_43328019	307.408	ODQWNRIFXRPJSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066268
s1c(C(=O)N2CC(CC2)(CCC)C(=O)O)cc2c1CCC2	PC-id_63144936	307.408	KNDLRMPURGSHRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066269
s1c(C(=O)N2CCC(CC2)(CC)C(=O)O)cc2c1CCC2	PC-id_63124762	307.408	JGSCWKYJWMGOSY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066270
s1c(C(=O)N2CC(CCC2)(CC)C(=O)O)cc2c1CCC2	PC-id_63134783	307.408	CGGGNJHSNJHJAG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066271
s1c(C(=O)NC2(CC(CCC2)C)C(=O)O)cc2CCCc12	PC-id_61290140	307.408	RBSAGKVYZKSYTF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066272
s1c(C(=O)NC2(C(CCCC2)C)C(=O)O)cc2CCCc12	PC-id_61294492	307.408	SVHSWOLHKFNJNE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066273
s1c(C(=O)NC2(CCCCC2)CC(=O)O)cc2CCCc12	PC-id_64671175	307.408	UAJIQVPGCYIYPF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066274
s1c(C(=O)NC2C(CCCC2)(C)C(=O)O)cc2CCCc12	PC-id_83210848	307.408	LRMXHGQPVGVDIR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066275
s1c(NC(=O)C2(CCCC2)CC)c(c2c1CCC2)C(=O)O	PC-id_80240115	307.408	WNIJRRULWIWPMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066276
COCCC1(C)Sc2c(C1=O)cc(s2)S(=O)(=O)N	PC-id_21735855,SCHEMBL9652934	307.41	STKMIVJHNMVLQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066277
c1(c2CCCc2sc1NC(=O)CC)C(=O)N1CCNCC1	MCULE-2882161004,EMOLS-id_179228454,PC-id_39162833	307.411	KZZCHSNFUXCTJY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066278
C1Cc2c(n(c(=O)n2C1)CCCCNCc1cccs1)O	PC-id_91930430,BindingDB_PC-id_91930430	307.411	NLYLXVKYEFUVAO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-066279
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(C(C)(C)C)C1	EMOLS-id_323407524,MCULE-7452514303	307.411	ZNGHOWJAIDILCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066280
CC1(C)CCc2sc(NC(=O)NCC3=CCCOC3)nc12	EMOLS-id_102009084,MCULE-1503025120,ZINC22_333562240	307.411	QUAJGFBQOZAXDZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-066281
CC1(C)[C@@H](O)[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCC4)[C@H]12	ZINC22_1875315734	307.411	FZEYOFUJOSDJJL-ZHAHWJHGSA-N	00001010100000000001001010000000000000000000000000000000	25-01-066282
CC(C)CN1C[C@@H](C(=O)Nc2nc3c(s2)CCC3)CC1=O	PC-id_37127115,ZINC22_29860407,CoCoCo_4806642	307.411	HESQOWIELQSLQM-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-066283
CC(C)CN1C[C@H](C(=O)Nc2nc3c(s2)CCC3)CC1=O	ZINC22_29860409,CoCoCo_4806641,PC-id_37127118	307.411	HESQOWIELQSLQM-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066284
CC(=CC(=O)Nc1sc2c(n1)CCC2)CN1CCOCC1	MCULE-9754833973,EMOLS-id_258031455	307.411	WFVAIGWCULKVBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066285
C=C[C@@H]1OCC[C@H]1NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010776	307.411	ZZIDYASARAVVLM-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066286
CC(CN1CC(CC1=O)C(=O)Nc1sc2c(n1)CCC2)C	MCULE-8944401118,EMOLS-id_31890547,PC-id_45876864	307.411	HESQOWIELQSLQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066287
CCC(NC(=O)C(=NC)Nc1sc2c(c1C=O)CCC2)C	PC-id_143679344	307.411	IAOFAXNAVQVKAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066288
CCNC(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_110668426,PC-id_78829683	307.411	KNOQSEPCHNJNNN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066289
CCOC(=O)C1CCc2c1nc(s2)N(C(C)C)CCC#N	PC-id_104288415	307.411	HHMUGKMBKFNXDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066290
CCOC(=O)C1CCc2c1nc(s2)N(CC(C#N)C)CC	PC-id_104288411	307.411	BIOBOGUHXZXMQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066291
CN(C)CCNC(=O)c1cc2c(s1)CCN2C(=O)C1CC1	PC-id_97442344,EMOLS-id_44303608,ZINC22_96146817	307.411	YYMBKHFAHCLHIC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066292
CN(C)CC(=O)N1CCc2sc(cc12)C(=O)NCC1CC1	PC-id_97407177,CHEMBL3553308	307.411	VGWOQPHLMYYZKL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066293
CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1cc2c(s1)CCC2	PC-id_110107594,ZINC22_257224780,BDE-32156729	307.411	FDIBHXGLSDBRFQ-MNOVXSKESA-N	00000010100000000000000010000000000000000000000000000000	25-01-066294
CNC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_110644108,PC-id_78816139	307.411	SMZNDMLIIQXBDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066295
N#Cc1c(sc2c1CCC2)N(CCC(=O)O)CCN(C)C	PC-id_95508660	307.411	OCIJKDWDRXTZJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066296
NC(=O)c1c2c(CCC2)sc1NC(=O)NC1CCCCC1	EMOLS-id_3563710,CoCoCo_3483771,PC-id_16306497,MCULE-3462112648,ZINC22_8395145	307.411	OREQMMMLIGMZQM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066297
NC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCC2	MCULE-4823055679,EMOLS-id_48930993,CoCoCo_3561583,PC-id_4798634,ZINC22_6788396	307.411	JNXHILVOSLGTTD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066298
O=C1CCN(CC1C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008841	307.411	LHCCDDCAAQBQJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066299
O=C(C1(N)C2CCOC2C1(C)C)Nc1sc2c(n1)CCC2	PC-id_114945831	307.411	AJRVNDDIJREFSO-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-066300
OC[C@H]1C=C[C@H](C1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003693	307.411	BJMUVRPKFHUWEI-VHSXEESVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-066301
O=C(CN1CCCCC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180189	307.411	BYEFHHBBKOJMQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066302
OCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC	PC-id_110906770	307.411	DLCDJSPOZUTEEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066303
O=C(NC1CC1)[C@H]1CN(Cc2nc3c(s2)CCC3)CCO1	ZINC22_1889071923	307.411	IZFYKXMEJLOXIZ-GFCCVEGCSA-N	00100010100010000001000010000000000000000000000000000000	25-01-066304
O=C(NC1CC1)[C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1	ZINC22_1889071924	307.411	IZFYKXMEJLOXIZ-LBPRGKRZSA-N	00100010100010000001000010000000000000000000000000000000	25-01-066305
O=C(Nc1sc2c(n1)C(CC2)(C)C)CC1CCCC(=O)N1	EMOLS-id_102183528	307.411	DMAPKCXWDIKIOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066306
O=C(Nc1sc2c(n1)C(CC2)(C)C)CC1CCC(=O)NC1	EMOLS-id_102164236	307.411	UYQPULUZGIJZKA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066307
ON=C(C1(C)CCN(CC1)C(=O)c1sc2c(c1)CCC2)N	PC-id_107162605	307.411	UBOPGDJIOMPJRI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066308
s1c2c(CCC2)cc1CNCC1N(C(=O)N(C(=O)C1)C)C	PC-id_76895626	307.411	KZEYQDVCUMKOHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066309
s1c2c(CCC2)cc1C(=O)N1C(CNCC1)C(=O)N(C)C	PC-id_65818021	307.411	WHBQBMWBXAHIEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066310
s1c2c(CCC2)cc1C(=O)N1C(CNCC1)C(=O)NCC	PC-id_65819310	307.411	ZXLZNMBOZLBJOX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066311
s1c2c(CCC2)cc1C(=O)N(C1CCCC1)C/C(=N/O)/N	PC-id_64473973	307.411	JEXMLVAVNCZYNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066312
s1c2c(CCC2)cc1C(=O)NC1(CCCCC1)C(=NO)N	PC-id_61134159	307.411	SUBRSOIMLDQFHP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066313
s1c2c(CCC2)cc1C(=O)N(C1CCNCC1)CC(=O)N	PC-id_60799634	307.411	ZSBKKVCYQYOYTK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066314
s1c2CCCc2cc1C(=O)N(CC(=O)N1CCNCC1)C	PC-id_61018548	307.411	FWJZGVNUWTZXHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066315
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCCC1)C)C(=O)N	PC-id_9275029	307.411	DGZMSYNDPIGIGG-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-066316
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCCC1)C)C(=O)N	PC-id_9275032	307.411	DGZMSYNDPIGIGG-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066317
s1c2c(CCC2)c(c1NC(=O)C(N1CCCC1)C)C(=O)N	PC-id_84968694	307.411	DGZMSYNDPIGIGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066318
s1c2CCCc2nc1NC1CC(=O)N(C(CC)CC)C1=O	PC-id_61508895	307.411	ZKDGFKQNAJPPQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066319
c1ccc(c2ccc(CNC3Cc4cscc4C3)cn2)nc1	ZINC22_2325858452	307.413	NSJKMTVPKICPTO-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-066320
s1c2CN(C(c3ccccc3)c3ccccc3)Cc2nc1N	PC-id_82194278	307.413	VQLPRCQZBUDHDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066321
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)c(sc2C)C	PC-id_18947057,SCHEMBL9185995	307.431	IKQSBPLTTAVUDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066322
CCC1CCc2c1nc([nH]2)C(C(C)C)NC(=O)OC(C)(C)C	PC-id_102970620	307.431	CCBPGRAPZXFCQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066323
CCC1CCc2c1nc([nH]2)[C@H](C(C)C)NC(=O)OC(C)(C)C	PC-id_102970623	307.431	CCBPGRAPZXFCQP-YUZLPWPTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066324
CCC1CCc2c1nc([nH]2)C(NC(=O)OC(C)(C)C)(CC)C	PC-id_102970605	307.431	LHNPTYKZUWWQBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066325
CCC1CCc2c1nc([nH]2)C(N(C(=O)OC(C)(C)C)C)(C)C	PC-id_102970648	307.431	URCZDQJEKWTYMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066326
CCc1scc2c1CN(C2)S(=O)(=O)c1ccc(cc1)C	SCHEMBL9182289,PC-id_18947046	307.431	BACYSXLCTNLMGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066327
CC(CC(c1nc2c([nH]1)CCC2C)NC(=O)OC(C)(C)C)C	PC-id_102970237	307.431	YGFAUHSXSOWFDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066328
CS(=O)(=O)c1ccccc1CNC1CCc2c1scc2	EMOLS-id_318405811,MCULE-8835484696	307.431	IKAYLQLHPQAUTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066329
CS(=O)(=O)c1cccc(c1)CNC1CCc2c1scc2	MCULE-8962195016,EMOLS-id_318647107	307.431	OZQCJSASCWHFQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066330
CS(=O)(=O)Cc1ccc(cc1)NC1CCc2c1scc2	EMOLS-id_318519486,MCULE-2256805869	307.431	IWHJBBVBUCLONQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066331
O=C(c1sc2c(c1)CCC2)NCC(c1cccs1)(O)C	PC-id_111719964	307.431	WEMKEPISUPNRCF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066332
O=C(c1sc2c(c1)CCC2)NCC(c1ccsc1)(O)C	PC-id_111720034	307.431	TZUBQVLKABJWDD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066333
OC(=O)c1cc(c(s1)C)CNCc1sc2c(c1)CCC2	PC-id_103242962	307.431	DQSGZCDPSLCFID-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066334
s1c2CCCc2cc1CNc1ccc(S(=O)(=O)C)cc1	PC-id_61209144	307.431	ZYRJNYROCRZNCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066335
s1c2c(CCC2)cc1CNc1c(S(=O)(=O)C)cccc1	PC-id_61206695	307.431	WARLTJCLIPRTDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066336
s1c2c(CCC2)cc1CNCc1sc(cc1)CC(=O)O	PC-id_82893996	307.431	YVSKJTPXCDJJHM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066337
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(cccc1)C	PC-id_65661956	307.431	NYIYXHWHDZDHTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066338
c1(C(=O)Nc2sc3c(CCC3)n2)nc(sc1C(C)C)C	PC-id_60180590,EMOLS-id_46567139,MCULE-4241055801,EMOLS-id_43037976,STOCK7S-27809,ZINC22_72403880	307.434	IOLWLJBWLGDKGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066339
c1(NC(=O)c2cccs2)c2CSCc2nn1C(C)(C)C	MCULE-4517386170,EMOLS-id_5426307,CoCoCo_4972689,ZINC22_189438,PC-id_5002052	307.434	DARGJZAGKUHNNF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-066340
c1(NC(=S)NC(=O)CC(C)C)sc2c(CCC2)c1C#N	MCULE-4261538009,ZINC22_4699764,EMOLS-id_1717979,PC-id_3881404,CoCoCo_6153989	307.434	PBGLXAYCQOHHOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066341
c1(sc(nc1CCC)C)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323444370,MCULE-8806910511	307.434	RJQHPGYQEQWICW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066342
c1(sc(nc1C(C)C)C)C(=O)Nc1sc2c(CCC2)n1	PC-id_75489328,ZINC22_96230742,MCULE-1847440775,EMOLS-id_49246740,STOCK7S-46123,EMOLS-id_50400470	307.434	UGDZIFATXQRRKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066343
Cc1cnc([C@H](C)CNC(=O)c2nc3c(s2)CCC3)s1	ZINC22_571862658	307.434	GACAQHLYEHSOLW-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066344
Cc1cnc([C@@H](C)CNC(=O)c2nc3c(s2)CCC3)s1	ZINC22_571862659	307.434	GACAQHLYEHSOLW-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066345
Cc1cnc(s1)C(CNC(=O)c1sc2c(n1)CCC2)C	MCULE-3059162294,EMOLS-id_316914308	307.434	GACAQHLYEHSOLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066346
Cc1csc(n1)C(C(=O)NCc1sc2c(n1)CCC2)C	EMOLS-id_318582152	307.434	XFKGAOZXLLLBRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066347
Cc1nc(CC(=O)NCCc2nc3CCCc3s2)cs1	EMOLS-id_68906072,PC-id_118777933,ZINC22_299789576,MCULE-1390974501	307.434	ZRSAUZXSCGFRFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066348
Cc1nsc(C)c1C(=O)Nc1nc2c(s1)CCC2(C)C	ZINC22_333808976,EMOLS-id_102183531,MCULE-5773604024	307.434	ZTFHWANBQXYODY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066349
Cc1sc(c(n1)C)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318716184	307.434	MNHUAXNBJNWGBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066350
CCc1sc(c(n1)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318460609	307.434	HIUJRCFBGUTTET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066351
CC(C)Cc1nnc(NC(=O)c2cc3c(s2)CCC3)s1	CHEMBL1463239,ZINC22_3447028,EMOLS-id_3317316,PC-id_2567184,MCULE-4562174809,ChEMBL-DNDi_CHEMBL1463239,CoCoCo_3250037	307.434	HBSUMPMKVSKXDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066352
CC(C)(C)C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2	ZINC22_8555958,PC-id_4955512	307.434	GYAJOQLLDSLLBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066353
Cn1ccnc1SCCNC(=O)c1cc2c(s1)CCC2	ZINC22_9338185,MCULE-1825172027,CoCoCo_4092831,EMOLS-id_11895852,PC-id_17392289	307.434	WIPBCLAOVLHALR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066354
O=C(c1c(C)nsc1C)NCCc1sc2c(n1)CCC2	EMOLS-id_318692227	307.434	JWZMWEKTKRQIKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066355
O=C(c1cscc1)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030678	307.434	DLGHMWXKJWUUST-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-066356
O=C(c1sc(c(n1)C)C)NCCc1sc2c(n1)CCC2	EMOLS-id_318419587	307.434	JISQSBJGJLKZJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066357
O=C(Cc1cnc(s1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318384274	307.434	CECYZDAKUMJAMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066358
O=C(Cc1ncc(s1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318689782	307.434	PGUATVZHELFKON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066359
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cc1csc(n1)C	EMOLS-id_318586795	307.434	MQJQTPLKKTZQBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066360
s1c2CCCc2cc1CNC(=O)c1nc(sc1)CCN	PC-id_66388929	307.434	RBURJZCCRIWUMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066361
s1c2CCCc2cc1CNC(=O)c1nc(sc1)C(N)C	PC-id_66388930	307.434	NIUJXWQCZYUGSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066362
s1c2CCCc2cc1C(=O)Nc1sc(nn1)CCCC	PC-id_51153598	307.434	ISRPLKOHOAGTID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066363
s1c2c(CCC2)c(c1NC(=O)CC1NCCSC1)C#N	PC-id_66422879	307.434	KSNKXJYYUBNZIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066364
s1c2CCCc2c(c1NC(=S)NC(=O)CCCC)C#N	PC-id_4955508	307.434	SUWHDUIMQCSDME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066365
CC(CC1CCCCCN1C(=O)c1sc2c(c1)CCC2)O	PC-id_121554307,EMOLS-id_75989402	307.451	XMRCORQJHSQULN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066366
CCC(c1sc(c2c1C(=O)N(C2=O)C)C(CC)(C)C)(C)C	SCHEMBL14897932,PC-id_89527730	307.451	XRICLSSKMLYDBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066367
CCCCCCCCC(CN1C(=O)c2c(C1=O)csc2)C	SCHEMBL18517066	307.451	LTHIRCIRRQHCFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066368
CCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16604922,PC-id_117982907	307.451	IBTAPNMOOHCZDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066369
CCCCN1C(=O)c2c(C1=O)c(sc2C(C)C)C(C)(C)C	PC-id_117796359,SCHEMBL16366844	307.451	DDKNZXLFWYVRRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066370
C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_253393907	307.451	XMRCORQJHSQULN-GXTWGEPZSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066371
C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_253393911	307.451	XMRCORQJHSQULN-JSGCOSHPSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066372
C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_253393914	307.451	XMRCORQJHSQULN-OCCSQVGLSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066373
C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_253393917	307.451	XMRCORQJHSQULN-TZMCWYRMSA-N	00000010100000000100000010000000000000000000000000000000	25-01-066374
CCOC(=O)C1CCCC(C1)NCc1sc2c(c1)CCC2	PC-id_116485067	307.451	CQSIWAKBUSLUJS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066375
O1CCCC(CC1)N1CC[C@H](C1)OC1CCc2c1scc2	SCHEMBL14528544,PC-id_71192783	307.451	QNLIKXBTCJLOTC-HWOWSKLDSA-N	00000010100000000100100010000000000000000000000000000000	25-01-066376
s1c2c(CCC2)cc1C(=O)NCC1(O)CCC(CC1)(C)C	PC-id_65118941	307.451	FRUADABCDTZKHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066377
s1c2c(CCC2)cc1C(=O)NCC1(O)CCC(CC1)CC	PC-id_65123743	307.451	HDJATRBCTLHLOJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066378
s1c2C(OC3CN(C4CCCOCC4)CC3)CCc2cc1	PC-id_78025776	307.451	QNLIKXBTCJLOTC-UHFFFAOYSA-N	00000010100000000100100010000000000000000000000000000000	25-01-066379
c1(NC(=O)C2CCCCC2)c2CSCc2nn1C(C)(C)C	MCULE-4045342088,CoCoCo_4972709,ZINC22_3892414,PC-id_3449053,EMOLS-id_5426337	307.454	UXROUAOHMJEOLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066380
CC1(C)C(NCCc2cn3c(n2)SCC3)C2C1OCCC2	MCULE-3992099661,EMOLS-id_318045042	307.454	QSQSAISPXAZZHS-UHFFFAOYSA-N	00001010100010000001001010000000000000000000000000000000	25-01-066381
CC(C)[C@H](NCc1nc2c(s1)CCC2)C(=O)N1CCCC1	PC-id_75515271,EMOLS-id_49336855,ZINC22_93075323,MCULE-3181160706	307.454	HKSJSROVKASNGW-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066382
CC(C(=O)N1CCC(CC1)NCc1sc2c(n1)CCC2)C	EMOLS-id_318276543,MCULE-4949265134	307.454	PUECCUQOOLDJKB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066383
C[C@@H]1C[C@@H](CCN1C)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_320052588,MCULE-9929170798	307.454	KVRDTJFDTGYDGH-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066384
C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N1CCN(C)CC1	ZINC22_171136505	307.454	ZTNONJAGLGQKIE-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066385
C[C@H](CNC(=O)c1cc2c(s1)CCC2)N1CCN(C)CC1	ZINC22_171136510	307.454	ZTNONJAGLGQKIE-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066386
CCN1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1	PC-id_51079815,ZINC22_48230079,MCULE-4495635718,EMOLS-id_31936292	307.454	FSQLOMOCCBQSBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066387
CC(=O)N1CCCC(C1)CNc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318587793,MCULE-9238012150	307.454	RRFRJBXYZGPWHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066388
CC(=O)N1CCC(CC1)CNc1sc2c(n1)C(CC2)(C)C	MCULE-7002246905,EMOLS-id_318651743	307.454	GBZKYKBQPFEHGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066389
CN1CCN(CC1)C(CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_316785344,MCULE-7072512628	307.454	ZTNONJAGLGQKIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066390
CN1CCN(CCCNC(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_36623030,PC-id_53536454,ZINC22_61524279,MCULE-9138194700	307.454	VRGQRLCFXGTFCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066391
CN(C(=O)C1(CCCCC1)NCc1sc2c(n1)CCC2)C	EMOLS-id_318076146,MCULE-2928529916	307.454	NFPCOGXGBWOFGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066392
NC1CCC(C(C1C)(C)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_102628697	307.454	KNJDWGJVZQDDQA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066393
N[C@@H]1CCO[C@H]1C1CCN(CC1)Cc1sc2c(n1)CCC2	MCULE-4533285009,EMOLS-id_320138862	307.454	ZEHZUWSGJBDMPM-WBMJQRKESA-N	00000010100010000001100010000000000000000000000000000000	25-01-066394
O=C1CC(CN1C(C)(C)C)CNCc1sc2c(n1)CCC2	MCULE-6763247412,EMOLS-id_318306327	307.454	OYMJRSBDSKMEEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066395
s1c2c(CCC2)cc1CNC1CCN(CC1)C(=O)N(C)C	PC-id_83191129	307.454	HTFFORLKXUMLHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066396
s1c2c(CCC2)cc1CNC(=O)C(N1CCNCC1)(C)C	PC-id_80548042	307.454	LUHHWLGHJBGDSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066397
s1c2CCCc2nc1CN1CCN(CC1)C(=O)CCCC	PC-id_44060335	307.454	KPLABJPRWYKARV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066398
s1c2CCCc2nc1CN1CCN(CC1)C(=O)CC(C)C	PC-id_44060336	307.454	KNCXCPGYIUFZIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066399
NC(=NCCc1cn2c(n1)SCC2)NC1CCCCCC1	PC-id_121829404	307.458	VYZBVWXBOZJKDG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-066400
[Si](Cc1c2c(n(c1)C(=O)OC(C)(C)C)CCC2=O)(C)(C)C	PC-id_10957788	307.46	JFCSKDSZNKBSDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066401
Cc1cc(C)c(c(c1)C)[S@@H](N[C@@H]1CCc2c1ccs2)O	7109852_OpenMolecule	307.474	GSBYQRZPWQXLFH-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066402
OC(c1sc2c(c1)CCC2)Cc1scc(n1)C(C)(C)C	PC-id_115822848	307.474	ZZFIJIKQFAVFEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066403
O=C(c1sc2c(c1)CCC2)NCC1(CCCCC1)[NH+](C)C	GD-id_ZINC03420318,PC-id_2539544	307.474	OMKVUMRBPYHSMC-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-066404
s1c2c(CCC2)cc1C(=O)NCCC[NH+]1C(CCCC1)C	PC-id_85018987	307.474	MDIIVKXLSOLJFQ-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-066405
s1c2c(CCC2)cc1C(=O)NCCC[NH+]1[C@@H](CCCC1)C	PC-id_9472902	307.474	MDIIVKXLSOLJFQ-CYBMUJFWSA-O	00000010100010000000000010000000000000000000000000000000	25-01-066406
s1c2c(CCC2)cc1C(=O)NCCC[NH+]1[C@H](CCCC1)C	PC-id_9472904	307.474	MDIIVKXLSOLJFQ-ZDUSSCGKSA-O	00000010100010000000000010000000000000000000000000000000	25-01-066407
Cc1sc(nc1C)C(NCc1sc2c(n1)CCC2)(C)C	MCULE-8336137882,EMOLS-id_318278330	307.477	IOBVCZVLUOLYQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066408
CC(c1cnc(s1)CNCc1nc2c(s1)CCC2)(C)C	EMOLS-id_318700351,MCULE-2171558043	307.477	JRTMFJGADLYMNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066409
CC(c1ncc(s1)CNCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318540650,MCULE-4696875118	307.477	YUOHUAITLJCYSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066410
CC(c1scc(n1)CNCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318485713,MCULE-9824809479	307.477	FMSHMHPZBHCROQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066411
CCCCCCCC(c1nnc2n1NNC2)CCCCCC	SCHEMBL20414736,PC-id_135254238	307.477	VFJNNMUNYXXRBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066412
CNC(c1sc2c(n1)CCC2)c1csc(n1)C(C)(C)C	PC-id_116084205	307.477	WJNRIWWAVIEUGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066413
CCCNC(c1sc2c(c1)CCC2)CCCC1CCCO1	PC-id_104993128	307.494	BRIQUPGABXCTJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066414
CCNC(C1CC(OC1(C)C)(C)C)c1sc2c(c1)CCC2	PC-id_105053101	307.494	VWWFIALICZNZRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066415
s1c(CNC2C(C(OCC(C)C)C2)(C)C)cc2c1CCC2	PC-id_64851187	307.494	CUCXPUPBQJGBAB-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-066416
CCC(N1Sc2c(C1)sc(c2)/C=C/c1cccs1)C	PC-id_143828665	307.497	OIYHTNPSDLTTHC-VOTSOKGWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-066417
CCCCC(CC(c1sc2c(c1)CCC2)NCCC)CC	PC-id_115805988	307.537	GQDSODPWYPVHOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066418
CCCCCCCCC(c1sc2c(c1)CCC2)NCCC	PC-id_115835325	307.537	VTGOBRZSLRKGEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066419
CCCCCCCCCC(c1sc2c(c1)CCC2)NCC	PC-id_115831829	307.537	NBNSKSNQFZUAQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066420
CCCCCCCCCCC(c1sc2c(c1)CCC2)NC	PC-id_115845769	307.537	QOSRMHNACPSZCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066421
s1c2c(CCC2)cc1CNC(CCCCC)CCCCC	PC-id_63452755	307.537	XFYAORYURALDQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066422
Clc1c2n(CCC2C(=O)O)c(c1)C(=O)c1ccc(F)cc1	SCHEMBL11004336,PC-id_20404988	307.704	GAOTURBPNZLZEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066423
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1cc(F)ccc1	PC-id_20528155,SCHEMBL11278560	307.704	CJXCNTFOUFGVND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066424
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1c(F)cccc1	PC-id_20528116,SCHEMBL11267708	307.704	KTDPDTRLWMTEEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066425
O=C(c1ccc(F)cc1)c1c(Cl)cc2n1CCC2C(=O)O	SCHEMBL11270536,PC-id_13068181,CHEMBL166676	307.704	KLUXRKKGMPKJNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066426
c12CN(Cc1nn(CC(F)F)c2Cl)C(=O)OC(C)(C)C	EMOLS-id_324344673,MCULE-6280561460	307.724	HWBWCCPCUMOJJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066427
CCc1cc2n(c1C(=O)c1occc1Cl)CCC2C(=O)O	SCHEMBL11659726,PC-id_20356063	307.729	ASKJJBDUSGDUQM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-066428
CCOc1cc(cc(c1O)Cl)C(=O)N1CCn2c1ncc2	EMOLS-id_318703408	307.732	UDTRVCFMQHPJDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066429
COc1cc(Cl)c(cc1C)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_318725418	307.732	JBTSMRVGXJGESD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066430
COc1cc(Cl)c(cc1NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_318467432	307.732	KMMZWKFOLPSFRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066431
COC(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(cc1)Cl	SCHEMBL21034286,PC-id_138664332	307.732	GBFUIUYWIAUFCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066432
COC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(cc1)Cl	PC-id_138664333,SCHEMBL21034287	307.732	GBFUIUYWIAUFCO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-066433
CC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=N)C(C1=O)Cl	PC-id_136510745	307.736	SNSMKQLVSFWRKU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-066434
CC1=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=C(C1=O)Cl)N	SCHEMBL3853961,PC-id_57577987	307.736	SGDNPLHVKZXHKC-REZTVBANSA-N	00000010100011000001000010000000000000000000000000000000	25-01-066435
Clc1cc(CC2CCc3c2[nH]c(c3)C(=O)OC)cc(F)c1	SCHEMBL1004644,PC-id_66873680	307.747	XEJBHXOKUTUCGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066436
Clc1cc(CC2CCc3[nH]c(cc23)C(=O)OC)ccc1F	SCHEMBL1002765,PC-id_59180141	307.747	XRRNRGGDNOISDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066437
Clc1cc(CC2CCc3[nH]c(cc23)C(=O)OC)cc(F)c1	SCHEMBL1003720,PC-id_59180126	307.747	PXSAQVDELOPJAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066438
Clc1c(n2c(C(CC2)C(=O)OC)c1)Cc1ccc(F)cc1	SCHEMBL11269164,PC-id_20528139	307.747	SIYPOBMJBDOWPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066439
c1(CNC(=O)c2ccc(F)cc2Cl)c2CCCc2nn1C	ZINC22_225817436,MCULE-9576222373,EMOLS-id_53884611,PC-id_91819370	307.751	VYUVDTVAWGSAJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066440
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2Cl)F)n1	MCULE-1349087039,EMOLS-id_331036170	307.751	FALXJHKBYYSBHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066441
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2F)Cl)n1	EMOLS-id_331035147,MCULE-2994513705	307.751	QJSVOZRFAACEJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066442
c1(C(=O)N)c2C(C)CCc2n(Cc2c(cccc2F)Cl)n1	MCULE-7475195794,EMOLS-id_331035914	307.751	PDGFPZAYKVYPQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066443
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(Cl)c2F)n1	EMOLS-id_331034635,MCULE-8077239348	307.751	IBFMXTNIARCVKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066444
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)F)n1	MCULE-2947398088,EMOLS-id_331038474	307.751	ZKMGCIFVZMXKLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066445
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(F)c2Cl)n1	EMOLS-id_331036682,MCULE-8480818980	307.751	DVKYZUIKHDBVFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066446
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(F)c2)Cl)n1	MCULE-4356107866,EMOLS-id_331036683	307.751	FOPPHUYFAAXKOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066447
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(Cl)cc(F)c2)n1	EMOLS-id_331034891,MCULE-1293012279	307.751	BYSRLTPVIVRKCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066448
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)ccc2Cl)n1	MCULE-9898239007,EMOLS-id_331036426	307.751	PHJNPQBGPZYYBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066449
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1Cl)F	EMOLS-id_331022259,MCULE-7198359490	307.751	WCKYPGIXCRJZSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066450
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1F)Cl	MCULE-3995190689,EMOLS-id_331021236	307.751	ADCGMOJBNHJVNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066451
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)F	EMOLS-id_331020468,MCULE-6482790207	307.751	KRMHTDQFIQWXMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066452
Clc1ccc(cc1)CCC1CSc2c1cc([nH]2)C(=O)O	PC-id_143604992	307.795	HFCHGJRFZBKABI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066517
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(Cl)c1F	EMOLS-id_331020724,MCULE-2084491661	307.751	YDCJPOFMZNZHNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066453
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(F)c1Cl	EMOLS-id_331018676,MCULE-1767221725	307.751	HMQMALRASRDJML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066454
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(F)c1)Cl	EMOLS-id_331018677,MCULE-7786539148	307.751	PHVAGFUUSZOHMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066455
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(Cl)cc(F)c1	EMOLS-id_331020980,MCULE-8210041443	307.751	PNDUAXHDACBXEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066456
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)ccc1Cl	MCULE-9557969530,EMOLS-id_331018420	307.751	CIYJKAKBCUVMPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066457
CC1CCc2nn(Cc3c(F)cccc3Cl)c(C(=O)N)c12	EMOLS-id_331022003,MCULE-9474379914	307.751	IIZZGJQMIQZQAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066458
CC(c1ccc(c(c1)Cl)F)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_318454739	307.751	YZXNLOCXSJRAOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066459
CC(c1ccc(c(c1)Cl)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_318659207	307.751	SCAYEVBCJPOZDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066460
CC(c1ccc(c(c1)Cl)F)NC(=O)c1cnn2c1CCC2	EMOLS-id_318509457	307.751	HAJUPKGJXCJJBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066461
CC(c1ccc(c(c1)F)Cl)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_318491551	307.751	GSYHVNDAHLKIPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066462
CC(c1ccc(c(c1)F)Cl)NC(=O)c1cnc2n1CCC2	EMOLS-id_318642772	307.751	OANZWKQTGZPEIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066463
CC(c1ccc(c(c1)F)Cl)NC(=O)c1cnn2c1CCC2	EMOLS-id_318756978	307.751	YJQKBTGTBJEHCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066464
CC(c1c(F)cccc1Cl)NC(=O)c1cnc2n1CCC2	EMOLS-id_318411187	307.751	XYLDCARZBALYPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066465
CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cn2c(n1)CCC2	ZINC22_648371538,MCULE-9729653501,EMOLS-id_316910501	307.751	MRJNXMUKJLNEGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066466
CN(C(=O)c1n[nH]c2c1CCC2)Cc1ccc(c(c1)Cl)F	EMOLS-id_318748703	307.751	BMOLJMCBNXUKPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066467
CN(C(=O)c1n[nH]c2c1CCC2)Cc1ccc(c(c1)F)Cl	EMOLS-id_318467323	307.751	QYNFAILMICOBPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066468
CN(C(=O)c1n[nH]c2c1CCC2)Cc1c(F)cccc1Cl	EMOLS-id_318459060	307.751	NYHVPMRPRQBJTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066469
Fc1ccc(c(c1)Cl)[C@H](NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318579566	307.751	XBCSPAWDDOSCAU-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066470
Fc1ccc(c(c1)Cl)[C@@H](NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318721340	307.751	XBCSPAWDDOSCAU-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-066471
Fc1ccc(c(c1)Cl)[C@@H](NC(=O)c1cnn2c1CCC2)C	EMOLS-id_318484493	307.751	JJFFYGPJLLJGJM-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-066472
Fc1ccc(c(c1)Cl)[C@H](NC(=O)c1cnn2c1CCC2)C	EMOLS-id_318591970	307.751	JJFFYGPJLLJGJM-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066473
Fc1ccc(c(c1)Cl)[C@@H](NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318451247	307.751	NOXNBKSVHYJXAG-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-066474
Fc1ccc(c(c1)Cl)[C@H](NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318472813	307.751	NOXNBKSVHYJXAG-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066475
Fc1ccc(c(c1)Cl)C(NC(=O)c1cnc2n1CCC2)C	EMOLS-id_318426486	307.751	XBCSPAWDDOSCAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066476
Fc1ccc(c(c1)Cl)C(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_318484749	307.751	JJFFYGPJLLJGJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066477
Fc1ccc(c(c1)Cl)C(NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_318451503	307.751	NOXNBKSVHYJXAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066478
O=C(c1cc2n(n1)CCC2)NC(c1c(F)cccc1Cl)C	EMOLS-id_318646784	307.751	VGXBHBOKYYAVOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066479
O=C(c1ccc(c(c1F)Cl)C)NCc1cnc2n1CCC2	MCULE-6898388962,EMOLS-id_320325021	307.751	KHVJTPKKCMWKJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066480
O=C(c1cnn2c1CCC2)NC(c1c(F)cccc1Cl)C	EMOLS-id_318468149	307.751	JDBWXJYCIYQVDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066481
O=C(Cc1ccc(c(c1)Cl)F)NCc1cnc2n1CCC2	EMOLS-id_320159391,MCULE-8474740039	307.751	JMXAYNYZPSMFIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066482
O=C(Cc1ccc(c(c1)Cl)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319396140	307.751	WABGSCHFUZILIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066483
O=C(Cc1ccc(cc1Cl)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320037709,MCULE-2995703107	307.751	JMSIKGZZZADLKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066484
O=C(Cc1cccc(c1F)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_318825987	307.751	QBHWWAKAMPBKQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066485
O=C(Cc1cccc(c1F)Cl)NCc1cnc2n1CCC2	EMOLS-id_319041486	307.751	OYNMEFNOYHJRKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066486
O=C(Cc1c(F)cccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_318858435	307.751	JSBIEEYGMIOPAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066487
O=C(NC1CC(n2c1ncc2)C)Cc1ccc(cc1Cl)F	EMOLS-id_318674451	307.751	ZIQZVGDXSSZMKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066488
O=C(NC1CC(n2c1ncc2)C)Cc1ccc(c(c1)Cl)F	EMOLS-id_318739293	307.751	RWSRURYLQQPFMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066489
O=C(NC1CC(n2c1ncc2)C)Cc1c(F)cccc1Cl	EMOLS-id_318417842	307.751	IWQOANXXCSWYBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066490
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(cc1Cl)F	EMOLS-id_318527384	307.751	ACBJAWRLRPYNMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066491
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(c(c1)Cl)F	EMOLS-id_318603558	307.751	CXBDGRZEULVXOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066492
O=C(Nc1n(C)nc2c1CCC2)Cc1cccc(c1F)Cl	EMOLS-id_318589168	307.751	KYKLRLDQCROFOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066493
O=C(Nc1n(C)nc2c1CCC2)Cc1c(F)cccc1Cl	EMOLS-id_318657825	307.751	QVMJQQTXSZOGSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066494
Fc1ccc(c(c1)Cl)C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_317996549,MCULE-1512567678	307.794	UXFJRWAXVVQZFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066516
c1(NC(=O)c2onc(C)c2Cl)sc2c(CCC2)c1C#N	BindingDB-id_152801,EMOLS-id_2615969,PC-id_5307818,ChEMBL-DNDi_CHEMBL1391746,TIMTEC549597,MCULE-7593378181,BindingDB_PC-id_5307818,ZINC22_5007084,CoCoCo_6629197,CHEMBL1391746	307.755	XKXBJYIUXYHTNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066495
CCc1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324842221	307.755	ARPHLXAAZDCBKO-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-066496
COCc1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324902401	307.755	LLMCZGOMECABBR-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-066497
COCc1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324897295	307.755	WQTCOVDWOKPQLX-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-066498
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)COC	MCULE-2578024790	307.755	WQTCOVDWOKPQLX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066499
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COC	MCULE-7844905402	307.755	LLMCZGOMECABBR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066500
n12nc(nc1sc(=Cc1cc(ccc1O)Cl)c2=O)CC	MCULE-9298760989	307.755	ARPHLXAAZDCBKO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066501
ClCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109330	307.775	KJCFJMXIADOQGM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-066502
COc1cc(Cl)c(cc1NC1CC(n2c1ncc2)C)OC	EMOLS-id_318712354,MCULE-8227042000	307.775	SJCJSUSFHSLMNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066503
COc1cc(NC2CC(n3c2ncc3)C)cc(c1Cl)OC	MCULE-2756690796,EMOLS-id_318308104	307.775	JDIBJAHFVFWZEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066504
COc1cc(OC)c(c(c1)NC1CC(n2c1ncc2)C)Cl	MCULE-5507173524,EMOLS-id_318326512	307.775	CZSYVQXQIFOSQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066505
Cc1nn(CC(=O)NCc2n[nH]c3c2CCC3)c(C)c1Cl	MCULE-6080417165,EMOLS-id_68916146,PC-id_118782941,ZINC22_299778153	307.779	OGNZVTQLWKWTLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066506
CC(C(=O)N(C)Cc1n[nH]c2CCCc12)n1cc(Cl)cn1	MCULE-9292280885,EMOLS-id_177366401,PC-id_121495384	307.779	VEWJOKWVGHYOFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066507
C[C@H](C(=O)N(C)Cc1n[nH]c2c1CCC2)n1cc(Cl)cn1	ZINC22_426378255	307.779	VEWJOKWVGHYOFN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066508
C[C@@H](C(=O)N(C)Cc1n[nH]c2c1CCC2)n1cc(Cl)cn1	ZINC22_426378256	307.779	VEWJOKWVGHYOFN-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-066509
O=C(Cn1nc(c(c1C)Cl)C)NC1CC(n2c1ncc2)C	EMOLS-id_318500942	307.779	RVRQCMJMQVHKNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066510
O=C(Cn1nc(c(c1C)Cl)C)NCc1cnc2n1CCC2	MCULE-6331666024,EMOLS-id_320193333	307.779	WXSRWJBGIUBHSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066511
O=C(Nc1n(C)nc2c1CCC2)Cn1nc(c(c1C)Cl)C	EMOLS-id_317921237	307.779	XIJBSQQWBWLDHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066512
CC(NC1CC(n2c1ncc2)C)Cc1ccc(cc1Cl)F	EMOLS-id_318258967,MCULE-8826163868	307.794	BAWGRCPQIVIOIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066513
Clc1cccc(c1F)C(CNC1CCn2c1ncc2)(C)C	MCULE-1277928525,EMOLS-id_318090813	307.794	MPDXZKGIIPHVKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066514
Clc1cccc(c1F)C(NCc1cnc2n1CCC2)(C)C	MCULE-7275729513,EMOLS-id_318172928	307.794	OLIRBUDAVUCFQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066515
Clc1ccc(CN2Cc3c(sc(c3)C(=O)OC)C2)cc1	PC-id_3424697,CK3036749	307.795	XIEINBARWBIDOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066518
Clc1sc2CCC(Nc3c(cccc3)C(=O)OC)c2c1	PC-id_81251503	307.795	GFIGOTFWTJYPNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066519
Clc1sc2CCC(Nc3c(ccc(c3)C(=O)O)C)c2c1	PC-id_81251511	307.795	WZJMLSJVPKDUNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066520
Clc1sc2CCC(Nc3c(cc(cc3)C(=O)O)C)c2c1	PC-id_81251512	307.795	UZCYOHFVSFNIMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066521
Clc1sc2CCC(Nc3c(c(ccc3)C(=O)O)C)c2c1	PC-id_81251955	307.795	FZVHTWODNJNLIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066522
Clc1sc2CCC(Nc3ccc(cc3)C(=O)OC)c2c1	PC-id_81252782	307.795	WXAFGFYSZONNIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066523
Clc1sc2CCC(Nc3cc(ccc3)C(=O)OC)c2c1	PC-id_81252991	307.795	CNCRZOFIGBIERM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066524
Clc1sc2c(C(NC(c3ccccc3)C(=O)O)CC2)c1	PC-id_81252500	307.795	YTCRSSTYFVJTBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066525
ClC(c1sc2c(CCC2)c1)Cc1ccc([N+](=O)[O-])cc1	PC-id_63518845	307.795	NIEVBYCVVADKKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066526
ClC(c1sc2c(CCC2)c1)Cc1c([N+](=O)[O-])cccc1	PC-id_63017571	307.795	LZUVGGLWLDSLDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066527
COc1ccc(cc1Cl)C(=O)c1c(N)sc2CCCc12	PC-id_75480909,EMOLS-id_48671183,MCULE-4028194550,ZINC22_95942433	307.795	UGHPIUZOUSCBJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066528
COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)CCC2	ZINC22_7655439,EMOLS-id_24110248,PC-id_8763283,CoCoCo_3262234,MCULE-9843914410	307.795	GXTMEDRJKCLHKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066529
COc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1Cl	ZINC22_13004546,EMOLS-id_18920109,CoCoCo_3190400,MCULE-2993644131,PC-id_25663675	307.795	WRESCMIHRJFUMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066530
c1(NC(=O)Cc2ccc(cc2)Cl)n(C)nc2CSCc12	EMOLS-id_188940913,MCULE-7396040386,STOCK7S-64680,ZINC22_604419282	307.798	IHDLDJSOYKXSCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066531
c1(NC(=O)Cc2ccccc2Cl)n(C)nc2CSCc12	MCULE-7734331673,EMOLS-id_334563763	307.798	SZWGOHRCVGYABD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066532
CCc1nc(Cl)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104134925	307.798	JJWLMSPJGOZWLT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066533
Clc1ccc(CCC(=O)N2Cc3sc(nc3C2)N)cc1	PC-id_82194169	307.798	NLIIGXJMHJQZJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066534
Clc1ccc(CCC(=O)Nc2sc3c(n2)CNC3)cc1	PC-id_82194057	307.798	MUSGDUAVECQQOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066535
Clc1ccc(nc1)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318658126	307.798	KYRVNYDQKGARKI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066536
Clc1cc(C(=O)Nc2sc3CCCc3n2)c(NC)cc1	PC-id_62177036	307.798	UFNJLLYELBRDQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066537
Clc1ccnc(c1)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318573451	307.798	NCVRFCPVVMUFEP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066538
Clc1ncc(c(c1)C(=O)NCc1sc2c(c1)CCC2)N	PC-id_105613715	307.798	OYDKDRFPQOYLIS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-066539
Clc1sc2CCC(Nc3ccc(NC(=O)N)cc3)c2c1	PC-id_81251607	307.798	QEVCEKNQTSNBPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066540
Clc1sc2CCC(Nc3cc(NC(=O)N)ccc3)c2c1	PC-id_81251513	307.798	IFCJCVNNPSUWHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066541
Nc1cnc(c(c1)C(=O)NCc1sc2c(c1)CCC2)Cl	PC-id_108153799	307.798	CIHYYSKYXZZCBF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-066542
O=C(c1ccncc1Cl)NCCc1sc2c(n1)CCC2	EMOLS-id_318781976	307.798	VKJJHCHUNBFSNW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066543
O=Cc1c(NCc2sc3c(c2)CCC3)nc(nc1Cl)C	PC-id_106194026	307.798	JOFKFGZSXKGHNY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066544
O=C(c1ncccc1Cl)NCCc1sc2c(n1)CCC2	EMOLS-id_318513944	307.798	WSNQIEYBOSDDDT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066545
c1(CN(C)Cc2c3CCCc3[nH]n2)c(CC)nn(C)c1Cl	MCULE-8012343108,EMOLS-id_49875594,PC-id_77083802,ZINC22_215374697	307.822	NVCYMAHMLCQEDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066546
CC(c1nn(c(c1CNC1CC(n2c1ncc2)C)Cl)C)C	EMOLS-id_318724599,MCULE-4995510301	307.822	WKJPYXMUTSGRJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066547
Clc1ccc(C(C(O)c2sc3c(CCC3)c2)CN)cc1	PC-id_65186215	307.838	OWIKCRRSWATJEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066548
Clc1cc(C(C(O)c2sc3c(CCC3)c2)CN)ccc1	PC-id_65186713	307.838	IBEABHOSYATNED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066549
Clc1ccc(C(O)CNCc2sc3c(CCC3)c2)cc1	PC-id_61207049	307.838	WJZVXBIVOCZJGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066550
Clc1cc(C(NC)c2sc3c(CCC3)c2)ccc1OC	PC-id_43480883	307.838	ATORHTDGQGCTBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066551
Clc1cc(CNCc2sc3CCCc3c2)ccc1OC	PC-id_65021763	307.838	DUKZQHMYWJGMRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066552
Clc1cc(CNCc2sc3c(CCC3)c2)c(OC)cc1	PC-id_61207045	307.838	HOANSFYZTYSWIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066553
Clc1c(C(C(O)c2sc3c(CCC3)c2)CN)cccc1	PC-id_65185014	307.838	ILXMTWFADALMST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066554
Clc1c(C(NC)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_43561964	307.838	XXPXVSCNBDWARQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066555
Clc1c(C(O)CNCc2sc3c(CCC3)c2)cccc1	PC-id_61207419	307.838	FGCGNRBCKJGPDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066556
Clc1sc2CCC(Nc3c(cc(OCC)cc3)C)c2c1	PC-id_81252906	307.838	CTXBKDPMDSHTOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066557
Clc1sc2CCC(Nc3ccc(OCCC)cc3)c2c1	PC-id_81251526	307.838	IRYFMADULAFVTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066558
Clc1sc2CCC(Nc3ccc(OC(C)C)cc3)c2c1	PC-id_81251716	307.838	LRHQHSXEVDDXCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066559
Clc1sc2CCC(Nc3c(c(OC)c(cc3)C)C)c2c1	PC-id_81252284	307.838	KCVFOEJHSKOXPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066560
Clc1sc2CCC(Nc3c(COCC)cccc3)c2c1	PC-id_81251514	307.838	LIMZRVRTRDWKHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066561
Clc1sc2CCC(Nc3cc(OCCC)ccc3)c2c1	PC-id_81252684	307.838	MYCFBEVYCOJEBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066562
Clc1sc2CCC(Nc3c(OCC)cc(cc3)C)c2c1	PC-id_81252395	307.838	KLVUJIJNSVHNTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066563
Clc1sc2CCC(Nc3c(OCCC)cccc3)c2c1	PC-id_81251601	307.838	VUJWLVGGKVTEKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066564
Clc1sc2CCC(Nc3c(OC(C)C)cccc3)c2c1	PC-id_81252391	307.838	PCTHQMLEGNJGCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066565
Clc1sc2CCC(NCc3cc(OCC)ccc3)c2c1	PC-id_81252904	307.838	JZNBHFLRTPLMFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066566
Clc1sc2CCC(NCCOc3cc(ccc3)C)c2c1	PC-id_81251424	307.838	GDDSSZXGPRENFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066567
Clc1sc2c(C(NCc3cc(ccc3)COC)CC2)c1	PC-id_81252590	307.838	FVALXJMWPXQBSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066568
Clc1sc2c(C(NC(c3ccc(OC)cc3)C)CC2)c1	PC-id_81252509	307.838	MLMHZOQZWRNKPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066569
Clc1sc2c(C(NC(c3cc(OC)ccc3)C)CC2)c1	PC-id_81251418	307.838	RUYBEEMALGBSEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066570
Clc1sc2c(C(NCc3c(COC)cccc3)CC2)c1	PC-id_81252394	307.838	MUUKAJWIPNXION-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066571
Clc1sc2c(C(NC(c3c(OC)cccc3)C)CC2)c1	PC-id_81252672	307.838	HHOSDRBMIUUJPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066572
Clc1sc2c(C(NC(Cc3ccccc3)CO)CC2)c1	PC-id_81251320	307.838	IBSYPXSLEJCCSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066573
Clc1sc2c(C(NCCc3ccc(OC)cc3)CC2)c1	PC-id_81252039	307.838	RQBRDDCVYWRXDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066574
Clc1sc2c(C(NCCCOc3ccccc3)CC2)c1	PC-id_81251739	307.838	BXAWSDLGYUIKCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066575
Clc1sc2c(C(N[C@@H](c3ccc(OC)cc3)C)CC2)c1	PC-id_81371065	307.838	MLMHZOQZWRNKPV-IAPIXIRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066576
Clc1sc2c(C(N[C@H](c3ccc(OC)cc3)C)CC2)c1	PC-id_81371284	307.838	MLMHZOQZWRNKPV-XLLULAGJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066577
Clc1sc2c(C(N[C@@H](c3cc(OC)ccc3)C)CC2)c1	PC-id_81375781	307.838	RUYBEEMALGBSEM-IAPIXIRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066578
Clc1sc2c(C(N[C@H](c3cc(OC)ccc3)C)CC2)c1	PC-id_81376226	307.838	RUYBEEMALGBSEM-XLLULAGJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066579
Clc1sc2c(C(N[C@@H](c3c(OC)cccc3)C)CC2)c1	PC-id_81397309	307.838	HHOSDRBMIUUJPM-VUUHIHSGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066580
Clc1sc2c(C(N[C@H](c3c(OC)cccc3)C)CC2)c1	PC-id_81398082	307.838	HHOSDRBMIUUJPM-NKUHCKNESA-N	00000010100000110000000010000000000000000000000000000000	25-01-066581
CNC(c1ccc(c(c1)OC)Cl)c1sc2c(c1)CCC2	PC-id_105006755	307.838	CROBKRDFKATHLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066582
COc1ccc(cc1C(c1sc2c(c1)CCC2)NC)Cl	PC-id_104545915	307.838	SZEPOZHTRUVFMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066583
COc1ccc(cc1CC(c1sc2c(c1)CCC2)N)Cl	PC-id_115844860	307.838	OUIFVFFABDZPDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066584
COc1ccccc1CCNC1CCc2c1cc(s2)Cl	PC-id_106259727	307.838	DWMHRBWTPYUWAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066585
COc1cccc(c1)CCNC1CCc2c1cc(s2)Cl	PC-id_107850174	307.838	VHHNPHZTSDQHAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066586
COc1cccc(c1CNCc1sc2c(c1)CCC2)Cl	PC-id_115634955	307.838	CZUMPMZOOFPQKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066587
COCCc1ccccc1NC1CCc2c1cc(s2)Cl	PC-id_102848940	307.838	QFXJARGAYANZRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066588
OCCCc1cccc(c1)NC1CCc2c1cc(s2)Cl	PC-id_104069899	307.838	ZWIKAOANPSXMOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066589
OC[C@@H](NC1CCc2c1cc(s2)Cl)Cc1ccccc1	PC-id_102613816	307.838	IBSYPXSLEJCCSY-NBFOIZRFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066590
OC[C@H](NC1CCc2c1cc(s2)Cl)Cc1ccccc1	PC-id_104926218	307.838	IBSYPXSLEJCCSY-PUODRLBUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066591
CC(c1c(ncnc1Cl)NCc1sc2c(c1)CCC2)C	PC-id_106194045	307.842	ISKRFNLMKWTBEY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066592
CCc1nc(NCc2sc3c(c2)CCC3)c(c(n1)Cl)C	PC-id_106194038	307.842	DUCUTTJKRZBSGQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066593
CCCc1c(ncnc1Cl)NCc1sc2c(c1)CCC2	PC-id_106194065	307.842	RHHVDEHJWYCCCN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066594
CCCc1nc(NCc2sc3c(c2)CCC3)cc(n1)Cl	PC-id_106194058	307.842	FKMIGPLVQQFOBX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066595
CC([C@@H]1N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)N)C	SCHEMBL16224799,PC-id_117688954	307.842	KCRJSSNTURSAGK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066596
Clc1cc(NCc2sc3c(c2)CCC3)nc(n1)C(C)C	PC-id_106194067	307.842	MGMVGOKVBOXCIK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066597
Clc1sc2c(C(NC3C(n4ccnc4)CCC3)CC2)c1	PC-id_81235326	307.842	YGNBBIIZNOGJGH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-066598
CC(S(=O)(=O)C)(CNC1CCc2c1cc(s2)Cl)C	PC-id_81252201,EMOLS-id_315606655	307.86	SMOSCVROJOYFFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066599
ClCCCCS(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_113567838,EMOLS-id_315147350	307.86	UUPJQBPSWXLBFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066600
ClCC(CS(=O)(=O)NCc1sc2c(c1)CCC2)C	PC-id_79586221,EMOLS-id_315386761	307.86	IVADYNODZPPDMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066601
[Te]1C(=Cc2c1csc2)[Si](C)(C)C	PC-id_15339446	307.942	LUFSCEHAIIPIHV-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-066602
[Te]1C(=Cc2c1scc2)[Si](C)(C)C	PC-id_15339438	307.942	VPWFHKIVAFAUIX-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-066603
[Te]1C(=Cc2sccc12)[Si](C)(C)C	PC-id_15339594	307.942	OAHPBIIANGNPDL-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-066604
CCCCCCCC1SC2=C(S1)SC(=S)S2	PC-id_165346893	307.986	CBPATWXLOKVTEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066605
Brc1c2c(sc1Br)C(=O)C(=C2)C	SCHEMBL4199834,PC-id_68952701	307.99	VJCLPKGSUOXIGN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-066606
C1[C@@H]2N(C1=O)C(=C(S2)SC3CC4=CN=CN4C3)C(=O)[O-]	PC-id_153880786	308.017	CTMBEBBBMZDGCQ-NHSZFOGYSA-M	00001011100000000001001010000000000000000000000000000000	25-01-066607
CCOC(=O)c1nn2CCOc2c1I	PC-id_153545688,MCULE-3942891633,EMOLS-id_316789548	308.073	SIMXLWOQIRLXCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066608
CC1=CC(=CC(=N1)CN[C@H]2CCC3=C2C=C(S3)Cl)OC	PC-id_164641811,ZINC22_574964555	308.075	KRQCLAQLGQRDFC-ZDUSSCGKSA-N	00000010100000101000000010000000000000000000000000000000	25-01-066609
C1CC2=C(C1)SC(=N2)CN3CC(C3)CN4C=C(C=N4)Cl	PC-id_154575493,EMOLS-id_324139786,ZINC22_1849480460,MCULE-6471760794	308.086	ZMVPWLQXDOSXCX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066610
CCOC(=O)C1=NN2CC(OC2=C1)CCOCC(F)(F)F	PC-id_152032089	308.098	UMXQMQOPIXTRSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066611
CC1=N/C(=C/c2cc3c(n2B(F)F)C=CS3(=O)=O)/C(=C1)C	PC-id_102440804	308.111	SAUIDZJKCCXVCQ-IZZDOVSWSA-N	00000011100000000000000010000000000000000000000000000000	25-01-066612
N#CC(=C(C#N)C#N)c1sc(c2c1OCO2)Br	PC-id_102228669	308.111	NCQHKZCMIFEHIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066613
CC(C)C(=O)NC1=C2CN(C(C2=NN1C(=O)[O-])(C)C)C(=O)[O-]	PC-id_153920743	308.113	GPAGQAJHSKXSRZ-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-066614
FC(C(NC(=O)c1c(Br)nc2n1CCC2)C)F	EMOLS-id_319480667	308.123	OINIQECOUXGECV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066615
c1(C(=O)OC)c2CCCc2sc1I	PC-id_153057950,MCULE-2062870442,EMOLS-id_324737864	308.136	VIWJGYYBEVHBAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066616
c1(C(=O)OC)c(I)c2c(CCC2)s1	MCULE-4211878878,EMOLS-id_330872384	308.136	ISGFBZCONNGGNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066617
c12CN(Cc1sc(I)c2C(=O)N)C	EMOLS-id_331065642,MCULE-4196982578	308.139	BISCHDJYNZQWDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066618
c1(C(=O)NC)c2CNCc2sc1I	MCULE-4646532155,EMOLS-id_331063599	308.139	HHFASRIXQZULKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066619
c1(C(=O)N)sc2CN(Cc2c1I)C	EMOLS-id_330873927,MCULE-4299000459	308.139	JITUJTUQMGVXOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066620
OCC(NC(=O)c1sc(c2c1OCO2)Br)C	PC-id_141785509	308.149	BKAWAPCJMIRMNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066621
Brc1ccccc1/C=c
/sc2ncnn2c1=O	EMOLS-id_45964438,ZINC22_208402	308.154	OOSJPNZPICYRMK-WEVVVXLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066622
Brc1ccccc1/C=c/1sc2ncnn2c1=O	ZINC22_16264839,ChEMBL-DNDi_CHEMBL5629-0775,EMOLS-id_2452164	308.154	OOSJPNZPICYRMK-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066623
Brc1ccc(/C=c/sc3ncnn3c2=O)cc1	EMOLS-id_45963580,ZINC22_208274	308.154	NNZFABCEKKYIQH-WEVVVXLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066624
Brc1ccc(/C=c/2sc3ncnn3c2=O)cc1	ZINC22_12580241,ChEMBL-DNDi_CHEMBL5629-0364,EMOLS-id_26192885	308.154	NNZFABCEKKYIQH-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066625
Brc1cccc(/C=c/2sc3ncnn3c2=O)c1	ZINC22_16267065,EMOLS-id_2456964,ChEMBL-DNDi_CHEMBL5629-0355	308.154	JNEKMXUTBKMUHJ-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066626
Brc1cccc(/C=c/sc3ncnn3c2=O)c1	ZINC22_208266,EMOLS-id_45963576	308.154	JNEKMXUTBKMUHJ-WEVVVXLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066627
n12ncnc1sc(=Cc1cccc(Br)c1)c2=O	MCULE-7636645937,EMOLS-id_300088644,ZINC22_252679207	308.154	JNEKMXUTBKMUHJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066628
n12ncnc1sc(=Cc1ccc(cc1)Br)c2=O	EMOLS-id_9821430,MCULE-5664746186	308.154	NNZFABCEKKYIQH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066629
n12ncnc1sc(=Cc1ccccc1Br)c2=O	MCULE-2007242758,ZINC22_254341122,EMOLS-id_300083778	308.154	OOSJPNZPICYRMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066630
O=c1/c(=C/c2ccc(Br)cc2)/sc2nncn12	ZINC22_13635048	308.154	YFKZGCQDTXXNIK-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-066631
Brc1ccc(cc1)C(CN1CCn2c1ncc2)O	EMOLS-id_318645803	308.174	PLTVJVBDMPXSBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066632
Brc1ccc(cc1C)OCc1nnc2n1CCC2	EMOLS-id_319676533	308.174	PONJQVGXYIPFGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066633
Brc1ccc(c(c1)C)OCc1nnc2n1CCC2	MCULE-4602017576,EMOLS-id_320010933	308.174	QUAGODYTRWNLDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066634
C/C=CC=C(C1NC(=O)c2c1[nH]c(n2)Br)/C=CC	PC-id_144749914	308.174	QLQJKZODXHDWCF-ZMAWIZFCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066635
COc1cc(Br)ccc1NC1CCn2c1ncc2	EMOLS-id_317933906	308.174	FENSYUDIRZRLDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066636
COc1cc(cc(c1)Br)NC1CCn2c1ncc2	EMOLS-id_317951110	308.174	CHLTZUFDMRKXPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066637
COc1cc(ccc1Br)NC1CCn2c1ncc2	EMOLS-id_317980503	308.174	YHCWCFSKZBNPFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066638
COc1cccc(c1Br)NC1CCn2c1ncc2	EMOLS-id_318474336	308.174	XHOBKCAZYBIOCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066639
COc1ccc(cc1NC1CCn2c1ncc2)Br	EMOLS-id_317919415	308.174	MYGLRJUVJKDNBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066640
OC(c1ccccc1Br)CN1CCn2c1ncc2	EMOLS-id_318428375	308.174	VGCWLUADFKQKOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066641
Brc1cccnc1CNC1CC(n2c1ncn2)C	EMOLS-id_318421366	308.177	JHNSMMWRYVIAGO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066642
Brc1ccc(nc1C)NCc1nnc2n1CCC2	EMOLS-id_318662360	308.177	SLHXFIRZRACTEI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066643
Brc1ccc(nc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318170930	308.177	KBSLSQKJJGTGQX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066644
Brc1ccnc(c1)NC(c1nnc2n1CCC2)C	EMOLS-id_318352129	308.177	WEDXHGQZYNYRIS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066645
Brc1cnc(cc1C)NCc1nnc2n1CCC2	EMOLS-id_318612138	308.177	SKKRGEHXAYNHAO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066646
Brc1cnccc1CNCc1nnc2n1CCC2	EMOLS-id_318713112,MCULE-4291173949	308.177	FSIBEMXGXNVMKF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066647
Brc1cnc(c(c1)C)NCc1nnc2n1CCC2	EMOLS-id_318739153	308.177	DYBVJLJAQIEEBD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066648
Brc1cncc(c1)CNCc1nnc2n1CCC2	MCULE-9750168307,EMOLS-id_317925314	308.177	UPNRNJLSPPAIRD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066649
Brc1cncc(c1)NC(c1nnc2n1CCC2)C	EMOLS-id_318108535	308.177	APTXDVBKLKOAMB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066650
Cc1ccc(c(n1)NCc1nnc2n1CCC2)Br	EMOLS-id_318593588	308.177	HFQVWYVUMLVIIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066651
Cc1ccnc(c1Br)NCc1nnc2n1CCC2	EMOLS-id_318477706	308.177	SIUGVUTUUBCDBL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066652
Cc1cnc(c(c1)Br)NCc1nnc2n1CCC2	EMOLS-id_318570830	308.177	BLDMNNXMIDCHKB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066653
CC(c1nnc2n1CCC2)Nc1ccncc1Br	EMOLS-id_318283059	308.177	PLLHVBOZHFEPPA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066654
CC(c1nnc2n1CCC2)Nc1ncccc1Br	EMOLS-id_318482442	308.177	BMABFNAXRVRRAR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066655
c1(NC(=O)C(Cl)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_3297582,MCULE-3008970381	308.181	LDXQUHLFPWMTRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066656
c12CN(Cc1sc(CNC)c2I)C	EMOLS-id_330874183,MCULE-1185412537	308.182	HWQIXZKERQMNBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066657
c12CN(Cc1sc(I)c2CNC)C	EMOLS-id_331065898,MCULE-8745748621	308.182	MPEDTXKUAQUGQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066658
CC(C)(C)n1nc2CSCc2c1I	EMOLS-id_324398425,MCULE-1887658612	308.182	FKUIQUPNAWKRIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066659
Brc1cc2c(s1)C(=O)N(C2)Cc1ccccc1	PC-id_140122554	308.194	FPFXHMXBFZUFTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066660
Brc1sc2c(c1)C(=O)N(C2)Cc1ccccc1	PC-id_140122513	308.194	ASIXDMMIIVKXAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066661
CC1=C(c2c(C1SI)scc2)C	SCHEMBL823022,PC-id_87163831	308.202	DAVMQEXPQQUWAW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-066662
Clc1cccc(c1C1(CC1)NC1CCn2c1ncc2)Cl	EMOLS-id_318360376,MCULE-5290906839	308.206	IMNNDNXGFXSVMK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-066663
Clc1ccc(cc1Cl)C1(CC1)NC1CCn2c1ncc2	MCULE-5805285306,EMOLS-id_318117777	308.206	CITOBHPMMINXHO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-066664
c12CN(Cc1sc(Cl)c2CCl)C(=O)OC(C)(C)C	EMOLS-id_331064101,MCULE-5161058515	308.224	VMGGJWZMMJMQJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066665
Brc1ccc(C(N)c2sc3c(CCC3)c2)cc1	PC-id_43463952	308.237	GHLVZCFDHHLFFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066666
BrC(c1sc2c(CCC2)c1)Cc1ccncc1	PC-id_66454838	308.237	NALVWAMHTXVYHH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-066667
BrC(c1sc2c(CCC2)c1)Cc1ncccc1	PC-id_66453958	308.237	VQBRIJOOIULSKD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-066668
N#Cc1cc(OCc2nnc3n2CCC3)ccc1C(F)(F)F	EMOLS-id_319408887	308.259	KZCHTJDPIPVFMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066669
N#Cc1ncc(cc1NCc1nnc2n1CCC2)C(F)(F)F	EMOLS-id_318514169,MCULE-4196282679	308.262	BMRRBTWBLYZWCJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066670
CCOC(=O)Cn1c2c([C@H]([C@H](C2(F)F)C)C)c(n1)C(F)F	PC-id_134276393,SCHEMBL19890884	308.272	NLKQZCYFVFZWNP-NKWVEPMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066671
c12CN(Cc1nn(CCF)c2C(=O)NCC)CC(F)(F)F	EMOLS-id_324354913,MCULE-6442516608	308.275	AUIIKXZQNHTRFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066672
c1(NC(=O)OCC(F)(F)F)sc2c(CCC2)c1C(=O)N	ZINC22_675050809,MCULE-8947862554,EMOLS-id_208052851	308.277	NFRTVKBEOAQKMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066673
O=C(Nc1sc2c(c1C(=O)O)CCC2)NCC(F)(F)F	PC-id_116012721	308.277	FCIODWJYBLJASV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066674
FC(Oc1ccc(c(c1)C)NC(=O)N1CCn2c1ncc2)F	EMOLS-id_318399441	308.283	JYTYZXBMHMATOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066675
FC(Oc1cc(ccc1C)NC(=O)N1CCn2c1ncc2)F	EMOLS-id_318508239	308.283	NHTCUPWJIQMTOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066676
FC(Oc1ccc(cc1NC(=O)N1CCn2c1ncc2)C)F	EMOLS-id_318528301	308.283	OXNSWEVRNQRJIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066677
FC(Oc1cccc(c1NC(=O)N1CCn2c1ncc2)C)F	EMOLS-id_318544679	308.283	YTFFZIXMRRMVAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066678
FC(Oc1cc(C)ccc1NC(=O)N1CCn2c1ncc2)F	EMOLS-id_318646853	308.283	RMMMDBOTHBIPEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066679
FC(Oc1ccc(nc1)C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_319879543,MCULE-8039615722	308.283	ZDBFAMZLTASZOI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066680
FC(Oc1nccc(c1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_318977089	308.283	REFCAFBHSYQMCQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066681
O=C(NCc1nnc2n1CCC2)c1ccc(OC(F)F)cc1	EMOLS-id_16689461,CoCoCo_4491067,MCULE-2121293845,PC-id_17503973,ZINC22_12992902	308.283	QAVMTBHPTWJPRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066682
CC(c1nnc2n1CCC2)NC(=O)c1cc(ncn1)C(F)F	PC-id_136562732,EMOLS-id_316963473,MCULE-2677267539	308.287	HIBUNYVEYRWBQP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066683
C[C@@H](NC(=O)c1cc(C(F)F)ncn1)c1nnc2n1CCC2	ZINC22_930483749	308.287	HIBUNYVEYRWBQP-SSDOTTSWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066684
C[C@H](NC(=O)c1cc(C(F)F)ncn1)c1nnc2n1CCC2	ZINC22_930483751	308.287	HIBUNYVEYRWBQP-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066685
CC1CCc2c1c(C=O)nn2Cc1ccccc1C(F)(F)F	EMOLS-id_331002608,MCULE-2519468460	308.298	OJMFAVWGADODDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066686
CC1CCc2c1c(C=O)nn2Cc1ccc(cc1)C(F)(F)F	MCULE-5396381854,EMOLS-id_331000319	308.298	RQCAGDQZXRONPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066687
CC1CCc2c1c(C=O)nn2Cc1cccc(c1)C(F)(F)F	MCULE-9527300337,EMOLS-id_331004656	308.298	IVIMRHJLDLDTCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066688
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(C=O)c12	EMOLS-id_330982331,MCULE-7967157026	308.298	ALLPEBLQSIQISP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066689
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(C=O)c12	MCULE-3061088435,EMOLS-id_330984379	308.298	NIYJOHNZJACWOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066690
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(C=O)c12	MCULE-7345407694,EMOLS-id_330984122	308.298	PGPODHGLGDTXNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066691
FC(F)(F)c1n(nc2c1CCC2=Cc1ccccc1)CCO	PC-id_3940482	308.298	UCSQNGNJKBHNEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066692
FC(F)(F)c1n(nc2c1CC/C/2=C/c1ccccc1)CCO	PC-id_5964300	308.298	UCSQNGNJKBHNEX-BENRWUELSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066693
s1c(c2n(C(N([O])C2(C)C)(C)C)c1=N)C(=O)C(F)(F)F	PC-id_11781795	308.3	DTCAAXRGKKQQPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066694
c1(C#N)c2CCCc2sc1NC(=O)c1ccn(C(F)F)n1	EMOLS-id_3995756,TIMTEC397620,MCULE-8529065958,PC-id_4768707,ZINC22_2776628	308.307	QDHPITATACBGTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066695
c1(NC(=O)c2ccnn2C(F)F)sc2c(CCC2)c1C#N	EMOLS-id_3995758,ZINC22_2775158,CoCoCo_6578660,TIMTEC502085,PC-id_4768627,MCULE-6485959479	308.307	VJTNUODVEAXOCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066696
N#Cc1c(NC(=O)c2cnn(c2)C(F)F)sc2c1CCC2	EMOLS-id_318432205	308.307	ABQZITALUWOPPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066697
COC(=O)c1c(NC(=O)N2CCC=C(C2)F)nc2n1CCC2	EMOLS-id_319436745	308.308	AAIXGUDYVGLURI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-066698
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1	MCULE-2383810159,ZINC22_170600129,PC-id_86800784,EMOLS-id_49960450	308.313	XTPQAPRPBZBFBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066699
s1c2c(CCC2)c(c1NC(=O)c1nonc1N)C(=O)OC	PC-id_62686186	308.313	FWMLCPAIMAXQMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066700
S1Cc2c(noc2NC(=O)CCn2c(=O)[nH]c(=O)cc2)C1	PC-id_45505351	308.313	GJGZLFSBXHYKDI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066701
NNC(=O)c1c(N=Nc2c(O)[nH][nH]c2=O)sc2c1CCC2	PC-id_145975645	308.316	QMSTYBLLSKNQSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066702
O=C(c1ccccn1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)N	SCHEMBL2923775,PC-id_68442552	308.316	SWBXJKYBKVIDCO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066703
O=C(c1cccnc1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)N	SCHEMBL2914147,PC-id_68439086	308.316	IUWKZOPLDXYYKW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066704
O=C(c1ccncc1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)N	SCHEMBL2923584,PC-id_68442463	308.316	PNPXLIVTLSVVFS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066705
CCCN(c1nc2c(s1)CCC2C(=O)O)CC(F)(F)F	PC-id_104288105	308.32	YRHHUYCDOOXXKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066706
CCOC(=O)C1CCc2c1nc(s2)NCCC(F)(F)F	PC-id_104288651	308.32	BVTTWUDSDSWRJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066707
CCOC(=O)C1CCc2c1nc(s2)N(CC(F)(F)F)C	PC-id_104288033	308.32	HTJVNGPFKSBRKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066708
OC(=O)C1CCc2c1nc(s2)N(C(C)C)CC(F)(F)F	PC-id_104288091	308.32	KPWANZVXCRZIFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066709
OC(=O)C1CCc2c1nc(s2)NCCCCC(F)(F)F	PC-id_104289173	308.32	YZYUUKSVVAXSAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066710
COc1cc(F)c(Cn2nc3CCC(C)c3c2CO)c(F)c1	MCULE-7955498296,EMOLS-id_330991795	308.323	LBCYYAORLZQKMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066711
COc1cc(F)c(Cn2nc(CO)c3C(C)CCc23)c(F)c1	MCULE-5699110866,EMOLS-id_331009016	308.323	VNFDVOLJSNPUGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066712
COc1ccc(cc1F)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287881	308.328	RXWUTFVRBGHKJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066713
COc1cc(ccc1F)Nc1nc2c(s1)CCC2C(=O)O	PC-id_114841067	308.328	SKUDLOKPUKXCRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066714
COc1ccc(c(c1)Nc1nc2c(s1)CCC2C(=O)O)F	PC-id_104289078	308.328	SKRXCKQYGUIIOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066715
COc1cc(F)ccc1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288315	308.328	JQJHKYJMFDUTKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066716
s1c2c(CCC2)c(c1NC(=O)/C=C(C)/C(=O)[O-])C(=O)OC	PC-id_40541850	308.33	NJANPSQJERIISL-VOTSOKGWSA-M	00000010100000000000000010000000000000000000000000000000	25-01-066717
s1c2c(CCC2)c(c1NC(=O)C=C(C)C(=O)[O-])C(=O)OC	PC-id_74694941	308.33	NJANPSQJERIISL-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-066718
s1c2c(CCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OCC	PC-id_5656617	308.33	SQUAHUSIKRIWOG-VOTSOKGWSA-M	00000010100000000000000010000000000000000000000000000000	25-01-066719
s1c2c(CCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OCC	PC-id_7909434	308.33	SQUAHUSIKRIWOG-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-066720
CCOC(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959969	308.333	PTKRGHGAQBBJIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066721
CCOC(=O)n1nc(NC(=O)OCC=C)c2CNC(C)(C)c12	MCULE-9243197471	308.333	MRSLLYMBPYEZSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066722
COCC1CCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319516667	308.333	VCVYGBHRILLHAH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066723
COCC1CN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319038791	308.333	XNHBRVXIHXPDTI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066724
CO[C@@H]1C[C@H](C1)NC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319679630	308.333	FEGVWGJFFXTOPO-KYZUINATSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066725
CO[C@@H]1CCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319518492	308.333	QPSLWCBAJZDRJV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066726
COC(=O)c1c(NC(=O)N2CC(C2)(C)CO)nc2n1CCC2	EMOLS-id_319835694	308.333	RQFCKIWLQISUCU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066727
COC(=O)c1c(NC(=O)N2CC(C2)(C)OC)nc2n1CCC2	EMOLS-id_319444367	308.333	BAQUYQPOCPKTTK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066728
COC(=O)c1c(NC(=O)N2CC(C2)(O)CC)nc2n1CCC2	EMOLS-id_319359064	308.333	XLFJUKOJXOVKLA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066729
COC(=O)c1c(NC(=O)N2CC(C(C2)C)O)nc2n1CCC2	EMOLS-id_318985913	308.333	GQZIVNKGPOSOMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066730
COC(=O)c1c(NC(=O)N2CC(CC2C)O)nc2n1CCC2	EMOLS-id_319542140	308.333	KAQIKHTWNBQEAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066731
COC(=O)c1c(NC(=O)N2CCCC(C2)O)nc2n1CCC2	EMOLS-id_318979627	308.333	NRCKNDZWWUWJDF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066732
COC(=O)c1c(NC(=O)N2CCC(CC2)O)nc2n1CCC2	EMOLS-id_319196630	308.333	HJJPZCUBQFEVBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066733
COC(=O)c1c(NC(=O)N2CCC[C@@H](C2)O)nc2n1CCC2	EMOLS-id_319304731	308.333	NRCKNDZWWUWJDF-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-066734
COC(=O)c1c(NC(=O)N2CCOCCC2)nc2n1CCC2	EMOLS-id_319757652	308.333	XMBWZBBBRKGPFS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-066735
COC(=O)c1c(NC(=O)N2CCOC[C@@H]2C)nc2n1CCC2	EMOLS-id_319383506	308.333	STJMAJPDXMMMKP-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-066736
COC(=O)c1c(NC(=O)N(C2CC(C2)O)C)nc2n1CCC2	EMOLS-id_319510136	308.333	VOTBKAHDWWZLII-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066737
COC(=O)c1c(NC(=O)NC2(C)COCC2)nc2n1CCC2	EMOLS-id_319811383	308.333	SMSBFGJWDJNENM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066738
COC(=O)c1c(NC(=O)NC2COC(C2)C)nc2n1CCC2	EMOLS-id_318971445	308.333	DMQPLORAIVKVHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066739
COC(=O)c1c(NC(=O)NCC2CCCO2)nc2n1CCC2	EMOLS-id_319015343	308.333	NESKHCGNYRAHHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066740
COC(=O)c1c(NC(=O)NCC2(C)COC2)nc2n1CCC2	EMOLS-id_319600930	308.333	GIYQKBVECYPPST-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066741
COC(=O)c1c(NC(=O)NCC2COCC2)nc2n1CCC2	EMOLS-id_319678494	308.333	JIWDSYGEEOYOHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066742
COC(=O)c1c(NC(=O)NC[C@H]2CCCO2)nc2n1CCC2	EMOLS-id_319075819	308.333	NESKHCGNYRAHHV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066743
COC(=O)c1c(NC(=O)N[C@@H]2CCCOC2)nc2n1CCC2	EMOLS-id_319547837	308.333	JRBXYQIISIYMLV-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066744
N#CC1SC(c2c1c(sc2C(=O)OC)C(=O)OC)C#N	PC-id_101187365	308.333	ZEHRBUYSOMOXKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066745
OCC1CCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319280069	308.333	XRYICROFYGIRLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066746
OC[C@H]1CCCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319644887	308.333	WSNVMBRBJAOTBB-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066747
OC[C@@H]1CCCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319851544	308.333	WSNVMBRBJAOTBB-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-066748
c1(C(=O)NCc2coc(c3ccccc3)n2)c2CCCc2[nH]n1	PC-id_77097479,MCULE-2192714962,EMOLS-id_49899303,ZINC22_132261287	308.335	OXTWGCFVUAEHRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066749
n12CCCc1nnc2CNC(=O)c1cccc(c1)c1ccco1	MCULE-6317473107,PC-id_91790426,EMOLS-id_55690089,ZINC22_223171149	308.335	XPLNIRGXRHDAAM-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-066750
N#Cc1c2CCCn2c(c1NC(=O)C)C(=O)Nc1ccccc1	PC-id_393848,NSC696775,CoCoCo_5763406	308.335	RFJLSDABCLZQDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066751
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccco1	ZINC22_190055412,MCULE-2675782435,PC-id_121570145,EMOLS-id_76035417	308.335	DGYFVGUUFBSAQS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-066752
O=C(NCc1nnc2n1CCC2)c1occc1c1ccccc1	EMOLS-id_29677588,CoCoCo_4491092,ZINC22_40481232,PC-id_45802638,MCULE-5788133588	308.335	BNDMYVPKNKNELK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-066753
CCc1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324844779	308.336	FWHWYNWISSMLSJ-ALCCZGGFSA-N	00000000100100000001000010000000000000000000000000000000	25-01-066754
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CC	MCULE-7685444136	308.336	FWHWYNWISSMLSJ-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-066755
N[C@H]1[C@H](NC1=O)Cn1nc2c(n1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17094311,PC-id_118380035	308.336	BEDKIRWIDRVGBK-ZJUUUORDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-066756
c1(C(=O)Nc2ccc(cc2)Cn2cncn2)c2CCCc2n[nH]1	PC-id_71709514,EMOLS-id_44754038,MCULE-1599390933,STOCK7S-36884,ZINC22_95480208,EMOLS-id_49409735	308.338	AWUGYCVFMOHYTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066757
c1(C(=O)Nc2ccnn2Cc2ccncc2)c2CCCc2[nH]n1	ZINC22_1875249451,EMOLS-id_331097392,MCULE-9336468399	308.338	UDPUDZQGFCNSKV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066758
c1(C(=O)NCc2ccccc2n2cncn2)c2CCCc2[nH]n1	MCULE-9452939249,EMOLS-id_36460467,PC-id_56719993,ZINC22_67920671	308.338	ZYOHQIAXJURQNY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066759
Cc1c(C(=O)N[C@@H]2CCn3ccnc23)nnn1c1ccccc1	ZINC22_1129237296	308.338	JOKOMEZMQAVGKV-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066760
Cc1c(C(=O)N[C@H]2CCn3ccnc23)nnn1c1ccccc1	ZINC22_1129237298	308.338	JOKOMEZMQAVGKV-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066761
CCc1[nH]nc(n1)c1ccc(cc1)C(=O)N1CCn2c1ncc2	MCULE-4055838638,EMOLS-id_319937568	308.338	YKQBFPOAZYGFAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066762
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1[nH]nnn1	EMOLS-id_328221050,MCULE-3764321131	308.338	XLDLGXYKPUQMDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066763
O=C(c1ccc(cc1)c1ncn[nH]1)NCc1cnc2n1CCC2	EMOLS-id_319158811	308.338	SIIGAACIMSVUKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066764
O=C(c1ccc(cc1)c1ncn[nH]1)NCc1n[nH]c2c1CCC2	EMOLS-id_320055806,MCULE-1188325253	308.338	FJIJJNHHVXHVKX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066765
O=C(c1ccccc1n1nncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318958714	308.338	ALZVBWQURRZFLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066766
O=C(c1cccc(c1)n1nncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319771479	308.338	ACKDQNNCSALGPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066767
O=C(c1cccc(n1)n1cccn1)NCc1cnc2n1CCC2	EMOLS-id_319844566,MCULE-9711385266	308.338	LJCSRRWVFYKGGH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066768
O=C(c1ccc(nc1)n1cccn1)NCc1cnc2n1CCC2	EMOLS-id_319387238	308.338	FZBOIQDESKRCGU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066769
O=C(c1ccc(nc1)n1cccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319159737	308.338	RCTAPPOOROBFEA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066770
O=C(c1cccnc1n1cccn1)NCc1n[nH]c2c1CCC2	MCULE-1772712442,EMOLS-id_320265241	308.338	BPLYGTQSUWQIME-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066771
O=C(c1ccnc(c1)c1ncc[nH]1)NCc1cnc2n1CCC2	MCULE-9375828713,EMOLS-id_320090301	308.338	CESQPQYLUOEYPX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066772
O=C(c1ccnc(c1)n1cncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318897731	308.338	BXMKHZLZNJUWID-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066773
O=C(c1ccn(n1)c1ccncc1)NCc1cnc2n1CCC2	EMOLS-id_319752659	308.338	RERXGKYIPWJGFR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066774
O=C(c1ccn(n1)c1ccncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319733480	308.338	ZPDSSMOVPMMZGY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066775
O=C(c1cn2c(n1)CCC2)NCc1ccc(cc1)c1n[nH]cn1	EMOLS-id_318796387	308.338	KVYBNNNMEDDGRU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066776
O=C(c1cnc2n1CCC2)NCc1ccc(cc1)c1n[nH]cn1	EMOLS-id_318986999	308.338	OAOHYRAFIRNAAR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066777
O=C(c1c[nH]nc1c1cccnc1)NCc1cnc2n1CCC2	EMOLS-id_319072061	308.338	CHGIVISVEYLIIN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066778
O=C(c1c[nH]nc1c1cccnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319850747,MCULE-1265602794	308.338	HXUXPTPZLDABDW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066779
O=C(c1cnn2c1CCC2)NCc1ccc(cc1)c1n[nH]cn1	EMOLS-id_319928157,MCULE-7881951051	308.338	JYTURTHQSUEOKR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066780
O=C(c1cnn(c1)c1ccccn1)NCc1cnc2n1CCC2	EMOLS-id_319295567	308.338	FEKHWTJKCXCIGA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066781
O=C(c1cnn(c1)c1ccncc1)NC1CC(n2c1ncc2)C	MCULE-8109461063,EMOLS-id_320163084	308.338	AJQAEXVHAPVKIL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066782
O=C(c1cnn(c1)c1ccncc1)NCc1cnc2n1CCC2	EMOLS-id_319268381	308.338	NATXYOTWAOTKCL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066783
O=C(c1cnn(n1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318804122	308.338	JSRXRSKWZFUIDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066784
O=C(c1cnn(n1)c1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-1626974606,EMOLS-id_319989213	308.338	GVJRQJAKNWRDLJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066785
O=C(c1ncn(n1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318840232	308.338	WPKWECCQADZBFT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066786
O=C(c1ncn(n1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319868831,MCULE-5977456245	308.338	UXHZHDNVNZYUGG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066787
O=C(c1[nH]c(nc1C)c1cccnc1)NC1CCn2c1cnc2	EMOLS-id_318924202	308.338	FOYIYJNEANHQBI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066788
O=C(c1[nH]c(nc1C)c1cccnc1)NC1CCn2c1ncc2	EMOLS-id_318805387	308.338	SDHCDMTUBDRKAJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066789
O=C(c1nn2c(c1)CCC2)NCc1ccc(cc1)c1n[nH]cn1	EMOLS-id_319727057	308.338	BCRPZHDIIGPFKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066790
O=C(c1n[nH]c2c1CCC2)NCc1ccc(cc1)c1n[nH]cn1	EMOLS-id_319028605	308.338	FXEABHNIBQRYNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066791
O=C(c1n[nH]c(c1)c1ccncc1)NC1CC(n2c1ncc2)C	EMOLS-id_319917539,MCULE-8501238711	308.338	RQUITZNJZHCRDY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066792
O=C(c1n[nH]c(c1)c1ccncc1)Nc1n(C)nc2c1CCC2	MCULE-6083415028,EMOLS-id_319894465	308.338	MKSRDMFEDPTSTA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066793
O=C(c1n[nH]c(c1)c1ccncc1)NCc1nn2c(c1)CCC2	EMOLS-id_320170624,MCULE-4589243479	308.338	PLMADTGYEOMFLK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066794
O=C(c1n[nH]c(c1)c1ccncc1)NCc1n[nH]c2c1CCC2	MCULE-7698426498,EMOLS-id_319990219	308.338	OGHRLLIOGBKJCB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066795
O=C(c1nnn(c1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319727490	308.338	BZQPSHFJQQKAHV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066796
O=C(c1nnn(c1C)c1ccccc1)NC1CCn2c1ncc2	EMOLS-id_316901480,MCULE-6986452167	308.338	JOKOMEZMQAVGKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066797
O=C(c1nn[nH]c1c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319388401	308.338	CYBLQHLXBRRILW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066798
O=C(N1CCn2c1ncc2)c1cc(n(c1C)c1cnccn1)C	EMOLS-id_319936242,MCULE-9903878636	308.338	QKQDLEMLXJHAID-UHFFFAOYSA-N	00000010110000100001100010000000000000000000000000000000	25-01-066799
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc[nH]n1	EMOLS-id_76035397,MCULE-7774123691,ZINC22_190064519,PC-id_119048116	308.338	XEGVZVZRPBYIGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066800
O=C(NCc1nnc2n1CCC2)c1cnn(c2ccccc2)c1	CoCoCo_4474387,MCULE-9167333036,EMOLS-id_29643213,PC-id_45802302,ZINC22_40480511	308.338	VZXOZYPSWRRYHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066801
O=C(NCc1n[nH]c2c1CCC2)c1ccc(n2ccnc2)nc1	EMOLS-id_317026370,MCULE-8112398243,ZINC22_1775991968	308.338	IBUDOYPTWXPDJT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066802
CC(c1cc(ccc1C)C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-6066548637,EMOLS-id_331005344	308.341	BYNGOFZRRTYKAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066803
CC(c1ccc(C)c(c1)C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-6804196841,EMOLS-id_331005088	308.341	AEIJNKPQRWUMOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066804
FC(F)(F)c1cc(CNC2CC(n3c2ccc3)(C)C)ccc1	PC-id_4111885	308.341	AVCUOXRYOPFHLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066805
Cc1cc(F)c(c(c1)F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318420639	308.346	ZELOFBZJMMDORZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066806
CNc1c(c2c(s1)CCC2)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20353873,PC-id_135200297	308.346	YNNAOYIAPMNADX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066807
Fc1cc(N)c(c(c1)C(=O)NCc1sc2c(c1)CCC2)F	PC-id_107120810	308.346	IGHBHPKSMYVNLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066808
O=C(c1ccc(c(c1F)F)C)NCc1sc2c(n1)CCC2	EMOLS-id_318613391	308.346	MURBCJMSHCBTKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066809
O=C(c1cc(C)c(cc1F)F)NCc1sc2c(n1)CCC2	EMOLS-id_318618645	308.346	UPBKXQCVGVKZLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066810
O=C(c1cc(F)c(cc1F)C)NCc1sc2c(n1)CCC2	EMOLS-id_318626616	308.346	VYZUSLNAVVBNNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066811
O=C(c1c(F)ccc(c1F)C)NCc1sc2c(n1)CCC2	EMOLS-id_318632359	308.346	KQHLDPPFUVXNOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066812
s1c2CCCc2cc1CNC(=O)c1cc(N)c(F)cc1F	PC-id_61207012	308.346	REORAGVTNOVJHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066813
s1c2CCCc2cc1CNC(=O)c1c(F)c(N)ccc1F	PC-id_79759250	308.346	XMXAFNJXBIGTDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066814
s1c2CCCc2cc1CNC(=O)c1c(N)cc(F)c(F)c1	PC-id_61992001	308.346	UBNAFQBYUIKCRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066815
c1(NC(=O)C2=COCCO2)sc2c(CCC2)c1C(=O)NC	MCULE-9999687142,CoCoCo_2590297,EMOLS-id_16349175,PC-id_7475041,ZINC22_5055744	308.353	UCBJRTMFEGKORQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-066816
c1(NC(=O)C(=O)N2CCCC2)sc2c(CCC2)c1C(=O)O	PC-id_8034797,MCULE-6597667733,STOCK6S-08717,EMOLS-id_4737738,ZINC22_6669672	308.353	ZSGCJDYCNBSHQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066817
CCOCc1nc2c(o1)CN(S(=O)(=O)c1ccccc1)C2	ZINC22_96086727,PC-id_97406043	308.353	YCYOFJYDBCIOLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066818
CN1CC(C(=O)O)N(CC1=O)C(=O)c1sc2c(c1)CCC2	EMOLS-id_318828505	308.353	XVMUURURKSFGAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066819
N#Cc1c(sc2c1CCC2)N(CC(C(=O)O)C)CC(=O)O	PC-id_112479370	308.353	HZNZPIKFPFDXLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066820
N#Cc1c(sc2c1CCC2)N(CCC(=O)O)CCC(=O)O	PC-id_95508393	308.353	XLLWYSIEMTWQAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066821
N#Cc1c(sc2c1CCC2)N(C(C(=O)O)C)CCC(=O)O	PC-id_112479381	308.353	YNMGQCCXDHOMHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066822
O=C1CN(C(=O)COC(=O)c2cc3c(s2)CCC3)CCN1	PC-id_25730554,EMOLS-id_44492691,ZINC22_13162591,MCULE-6664726503	308.353	HVOJYUAOZLPDJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066823
s1c2c(CCC2)cc1C(=O)N1C(CC(=O)O)C(=O)NCC1	PC-id_62032962	308.353	XDANQYIXYDWTRN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066824
s1c2CCCc2cc1C(=O)OC(C(=O)N1CCNC1=O)C	PC-id_18091300	308.353	DLODXIKFOYVIMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066825
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NC1CC1	PC-id_7623546	308.353	HQZLEXPAKPFRRY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066826
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NCC=C	PC-id_7238835	308.353	UTPPAORPQGVYSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066827
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N1CCNC1=O)C	PC-id_8358961	308.353	DLODXIKFOYVIMK-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066828
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N1CCNC1=O)C	PC-id_8358968	308.353	DLODXIKFOYVIMK-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066829
s1c2c(CCC2)c(c1NC(=O)C1CC1)C(=O)NC(=O)OC	PC-id_7521462	308.353	AWMWKCTXYIJBRP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066830
s1c2c(CCC2)c(c1NC(=O)C1CCC(=O)NC1)C(=O)O	PC-id_83192324	308.353	QTBULUACMPZHJF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066831
s1c2c(CCC2)c(c1NC(=O)C1CN(C(=O)C1)C)C(=O)O	PC-id_43359878	308.353	SKKAOMMTLRQRJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066832
s1c2c(CCC2)c(c1NC(=O)C1CNC(=O)C1)C(=O)OC	PC-id_78925501	308.353	MRMPHHKLYJKYLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066833
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CC1)C(=O)N	PC-id_7863364	308.353	UCUOISNGKJZVQK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066834
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CC)C(=O)N	PC-id_3950387	308.353	IWPCBVHFCCRZSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066835
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/C)C(=O)N	PC-id_6377219	308.353	IWPCBVHFCCRZSX-DUXPYHPUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066836
s1c2CCCc2c(c1NC(=O)COC(=O)COCC)C#N	PC-id_8709292	308.353	QMISTCRVZPGYOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066837
c1(NC(=O)CCc2onc(OC)c2)n(C)nc2CSCc12	EMOLS-id_320491316,MCULE-2173896619	308.356	FYQYQUYJDCEOIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066838
Cc1ccn(c(=O)c1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100459454	308.356	MMCRNEINQIAAQD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066839
Cc1cc(=O)n(cc1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100970854	308.356	XAZOUQRWJPULPC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066840
Cc1nc(cs1)COCc1n[nH]c2c1CN(C2)C(=O)CO	PC-id_97406038	308.356	CCFRIGJAMNGRLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066841
Cc1noc(c1NS(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100972144	308.356	RYAQPIQKEIGWJQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-066842
CCn1cc(ccc1=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100969072	308.356	BZSYDLJHVUIION-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066843
CCOc1ccc(cn1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318035168	308.356	XDDSGFKLQLQNTM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066844
CC(Oc1cncc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	MCULE-3180586299,EMOLS-id_316427327	308.356	NISOUUNFTJTCRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066845
CCOC(=O)C1CCc2c1nc(s2)NCc1noc(n1)C	PC-id_106411435	308.356	QJBVJTMGMIYHTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066846
CCOC(=O)C1CCc2c1nc(s2)NCc1onc(n1)C	PC-id_104288397	308.356	YGWVRSRQLWTJQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066847
CCOC(=O)C1CCc2c1nc(s2)NCCc1ncno1	PC-id_106411478	308.356	BBSIXZNDZRYGQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066848
CCOC(=O)C1CCc2c1nc(s2)NCCc1nocn1	PC-id_106411496	308.356	UYOPYGVDFXSZRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066849
COc1ccc(c(n1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700126	308.356	JHOQGYBOJNOUOS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066850
COc1ccc(nc1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97700117	308.356	BHOPLPQNQLVAHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066851
COc1cncc(c1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_258176703,MCULE-3992856515	308.356	JWYHBNLTSWJRRG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066852
COc1cncc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319728198	308.356	SOAMYAJZZNJNEP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066853
COc1ncc(cc1C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319056583	308.356	QBYUFGKBGBRQRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066854
COc1snc(c1CNC(=O)c1nn2c(c1)CCC2)OC	EMOLS-id_319599290	308.356	UHAJTGANCGZMEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066855
COc1snc(c1CNC(=O)c1n[nH]c2c1CCC2)OC	EMOLS-id_320302876,MCULE-6305875247	308.356	OGFYKUBAMALQCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066856
COc1snc(c1C(=O)NC1CC(n2c1ncc2)C)OC	EMOLS-id_319339710	308.356	SLLHOYONUVAXQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066857
COc1snc(c1C(=O)NCc1nn2c(c1)CCC2)OC	MCULE-4954692251,EMOLS-id_320089021	308.356	HKOUTHRPZRXUAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066858
COCCn1ncc(c1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288387	308.356	VEPALYPPNZNJHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066859
CS(=O)(=O)N1Cc2c(C1)[nH]nc2COCc1cccnc1	PC-id_97406033	308.356	BJDOFTZYHQMSBS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066860
N1(CC(=O)NCCc2sc3c(CCC3)n2)C(=O)CNC1=O	MCULE-9057520768,EMOLS-id_55654442,ZINC22_252478207,PC-id_91835938	308.356	AFLNMEMKOKBUOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066861
O=C(c1ccc(n1C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057278	308.356	DJEPFTNNYMPLPC-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-066862
OCC(c1cccnc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_279066083	308.356	BRZCPQXNNIAIHV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066863
s1c2CCCc2nc1NC(=O)CN1CCC(=O)N(C1=O)C	PC-id_85501253	308.356	HRVPNBASCRJKJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066864
CNC=C(CN)C1=[N+]=c2c(=C1)c(c[nH]2)C(=O)c1cc(ccc1)N	PC-id_91218055	308.358	XHMLUBUTJMMSKO-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-066865
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)Cc1ccccc1	MCULE-1028234029	308.358	MSBSPBNPVPWLKT-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-066866
O=c1n2nc(Cc3ccccc3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324835578	308.358	MSBSPBNPVPWLKT-RAXLEYEMSA-N	00000000110000110001000010000000000000000000000000000000	25-01-066867
CCOC(=O)C1CCc2c1nc(s2)NC(c1n[nH]nn1)C	PC-id_104288262	308.359	RQKLPCALVIYVAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066868
Cn1cnn(c1=O)CC(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99827323	308.359	GJGMWHHPVUQBIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066869
O=S(=O)(c1cnc2n1CCC2)NC1(CCC1)c1nnc[nH]1	EMOLS-id_98564287	308.359	VFHSIJPOXRGMAO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-066870
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(nc1)N	PC-id_64081990	308.359	XLLYXSPKPWFSAV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066871
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(nccc1)N	PC-id_65427995	308.359	DSRCAVVEQYIAGE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-066872
s1c2c(CCC2)cc1C(O)c1cc(OC)c(OC)cc1F	PC-id_62866937	308.368	SFCADGKOVMJHTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066873
C/C=C(/C1n2c(SC1(C)C)ncc2C(=O)O)C=C(/C=C)F	PC-id_142091476	308.371	VGVRWKAYNOBDBL-FWMCCXIMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066874
CCC(S(=O)(=O)c1[nH]c2c(n1)CCC2)c1ccc(cc1)F	EMOLS-id_318499300	308.371	VSTSIHSWXPVBDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066875
OC(=O)OC1CCc2c1sc(c2C(=O)c1cccs1)C	PC-id_70413126,SCHEMBL10651204	308.373	OCUMSWFDHUNICS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-066876
C=CCNC(=O)[C@H]1Cn2cccc2[C@H]1CC(=O)c1ccccc1	PC-id_134959473	308.374	QAGVOQHYQJPTOX-HOTGVXAUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066877
FCCn1ccc(n1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318741904	308.374	APCZHXJGQBVRTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066878
FCCn1nccc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318608106	308.374	YBPMUIZECLSKGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066879
FCCn1ncc(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318750206	308.374	ZRBPUOVYFNPBIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066880
O=C(N1CCCC1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46925742	308.374	DJTBLHDEVCNPGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066881
O=C(N1CCCC1)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52451449	308.374	DJTBLHDEVCNPGT-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066882
O=C(N1CCCC1)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52451450	308.374	DJTBLHDEVCNPGT-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-066883
c12CN(Cc1nn(CC(C)C)c2C(=O)NCC)C(=O)OCC	MCULE-5103995625,EMOLS-id_324357729	308.376	XRAPTASMSZXXPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066884
Cc1ncc(s1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108040740	308.376	QUGNINANEDWOLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066885
CCCC(CC(=O)N1Cc2c(C1C(=O)N)c[nH]n2)(CCC)O	MCULE-1451669806,EMOLS-id_320350089,PC-id_139018040	308.376	OGPUAXGXYUKTCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066886
CCC(C)N(C)C(=O)c1nc2CN(Cc2o1)C(=O)NC(C)C	EMOLS-id_44366490	308.376	MAMZMGXHUQGBJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066887
CCCC(O)(CCC)CC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N	ZINC22_1776006293	308.376	OGPUAXGXYUKTCC-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066888
CCCC(O)(CCC)CC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N	ZINC22_1776006294	308.376	OGPUAXGXYUKTCC-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066889
CC[C@@H](C)N(C)C(=O)c1nc2c(o1)CN(C(=O)NC(C)C)C2	ZINC22_96254372,PC-id_97515424	308.376	MAMZMGXHUQGBJY-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066890
CC[C@H](C)N(C)C(=O)c1nc2c(o1)CN(C(=O)NC(C)C)C2	ZINC22_96254374,PC-id_97515426	308.376	MAMZMGXHUQGBJY-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-066891
C[C@H]1CN(C(=O)c2[nH]nc3c2COC3(C)C)CCN1CCO	ZINC22_1875280631	308.376	FIXZLWMTFZYFOZ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-066892
C[C@@H]1CN(C(=O)c2[nH]nc3c2COC3(C)C)CCN1CCO	ZINC22_1875280632	308.376	FIXZLWMTFZYFOZ-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066893
CCOC(=O)n1nc2c(c1NC(=O)C(C)(C)C)CNC2(C)C	SCHEMBL12879104,PC-id_58015632	308.376	JXYCCXBZMIHQJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066894
COCC(N1CCN(CC1)C(=O)c1cc2n(n1)CCO2)(C)C	EMOLS-id_102128638	308.376	FGLJWAKCCNREOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066895
COC(C(=O)N1CCN(CC1)Cc1cnn2c1CCC2)OC	MCULE-4557712307,EMOLS-id_320059461	308.376	YTXAEKLZNHXHJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066896
COC(=O)c1c(NC(=O)N(CC(C)(C)C)C)nc2n1CCC2	EMOLS-id_319704801	308.376	BGHPHABYFJIEES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066897
COC(=O)c1sccc1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319784827	308.376	LNJOVCWOUNSRFI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-066898
o1c2c(nc1CN1CCNCC1)CN(C2)C(=O)OC(C)(C)C	PC-id_83949376	308.376	LUCPSFYIFKJFSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066899
OCC1CN(CC(O1)(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_102182931	308.376	WNUPMYZSAKYZPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066900
O=C(c1sc2c(c1)CCC2)NCc1scc(n1)C(=O)O	MCULE-5696482693,PC-id_66379492,EMOLS-id_51912487	308.376	SSYCILWECSIWPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066901
O=C(c1sc2c(c1)CS(=O)(=O)C2)NCc1ccccn1	PC-id_122176112	308.376	FCCBWBCBKPHXOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-066902
O=C(c1sc2c(c1)CS(=O)(=O)C2)NCc1cccnc1	PC-id_122176113	308.376	QRSREWHKTZKATO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-066903
s1c2CCCc2cc1C(=O)Nc1scc(n1)CC(=O)O	PC-id_25765669	308.376	WNGQRPCZYREJME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066904
s1c2CCCc2cc1C(=O)Nc1snc(c1C(=O)O)C	PC-id_60868807	308.376	PXYKXQPSMDDXHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066905
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sccn1	PC-id_2423498	308.376	XCABHFIXGFVWRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066906
s1c2c(CCC2)c(c1NC(=O)c1nc(sc1)C)C(=O)O	PC-id_65199949	308.376	BLGQAGMDUOMWKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066907
s1c2c(CCC2)c(c1NC(=O)c1ncsc1)C(=O)OC	PC-id_63047475	308.376	YOSXAGQHIZCAET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066908
s1c2c(CCC2)c(c1NC(=O)c1scnc1C)C(=O)O	PC-id_43145447	308.376	YPWDRJCADHORDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066909
c1ccc(c2coc(CNCCc3nnc4n3CCC4)c2)cc1	ZINC22_69161085,PC-id_53500643,EMOLS-id_36642236,MCULE-8128481365	308.378	ZBKCRMAWVQAHRN-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-066910
s1c2CCCc2nc1C(NCCC)c1c(F)cccc1F	PC-id_61334600	308.389	CRLPOLCJBGJPCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066953
c1(CN(C)Cc2onc(c3ccccc3)c2)c2CCCc2[nH]n1	MCULE-4615790945,ZINC22_215418639,PC-id_77084370,EMOLS-id_49876610	308.378	SGNJGMAEUVALNK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066911
CC(c1onc(c1)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_320038904,MCULE-7852518861	308.378	OPVHPJLMWSWPOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066912
CN(S(=O)(=O)CCS(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_319441540	308.378	PHNUSQNPJGHANR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066913
N#Cc1ccc(cc1)CC(C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319112020	308.378	OYJSWAXZUKKGGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066914
N#Cc1ccc(cc1)C(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_319156414	308.378	AWJVGTOFWRWULK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066915
N#Cc1cc(C)c(c(c1)C)CC(=O)NCc1cnc2n1CCC2	EMOLS-id_318893533	308.378	GCWYZBXCBGQUMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066916
N#CC(c1ccc(cc1)C(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318655268	308.378	LTHLEBQSSUIUIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066917
N#CC(c1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2)(C)C	EMOLS-id_317943752	308.378	ZZOXVUQTENGVPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066918
N#CC(c1ccc(cc1)C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_319572443	308.378	JZQPEDZHVDCJTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066919
O=C1c2ncnn2C(C1=Cc1ccc(cc1)N1CCCCC1)C	EMOLS-id_278712886	308.378	SDZPTFMRVUSJSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-066920
c1(NC(=O)c2snnc2C)sc2c(CCC2)c1C(=O)N	MCULE-3244661639,ZINC22_11913918,EMOLS-id_2647643,PC-id_16453525,CoCoCo_2249865	308.379	UFDRNZZBQLMEGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066921
CC(C)NC(=O)C1CCc2nnc(n12)CNC(=O)NC(C)C	PC-id_134790686	308.379	AJWXGYRXHAPZDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066922
COCC1OCCN(C1)C(=NC)NCc1nnc2n1CCC2	PC-id_120052485	308.379	TYFVQMPQLDGABI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066923
N#Cc1scc(c1)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_279066543	308.379	HEFWLXOIEDNZQZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-066924
O=c1nc(S)c(c([nH]1)C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319292585	308.379	LZQDHFXDVGJTDP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-066925
s1c2c(CCC2)c(c1NS(=O)(=O)c1c([nH]nc1)C)C#N	PC-id_60911759	308.379	JALOEYQMWIBDOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066926
s1c2c(CCC2)c(c1NS(=O)(=O)c1[nH]c(nc1)C)C#N	PC-id_64150027	308.379	ALQIGYNKMYSNMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066927
CC1CC(c2n1ncn2)NCc1ccccc1Cn1cccn1	EMOLS-id_279081461	308.381	YJCNSAOPZKSQJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066928
CC1CC(c2n1ncn2)NCc1cccc(c1)Cn1cccn1	MCULE-8205457247,EMOLS-id_319860364	308.381	AFDBRBJGTGRIPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066929
CC1CC(c2n1ncn2)NCCc1ccn(n1)c1ccccc1	EMOLS-id_319723626	308.381	XPBOVXKUWAQKLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066930
Cc1cc(C)n(c2ccc(CN[C@H]3CCc4n[nH]cc34)cn2)n1	ZINC22_2325794497	308.381	DPASNRHJFUBDLV-HNNXBMFYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066931
Cc1cc(C)n(c2ccc(CN[C@@H]3CCc4n[nH]cc34)cn2)n1	ZINC22_2325794498	308.381	DPASNRHJFUBDLV-OAHLLOKOSA-N	00000010100000101001100010000000000000000000000000000000	25-01-066932
CC(c1cccc(c1)n1cccn1)NC1CC(n2c1ncn2)C	EMOLS-id_279083418	308.381	NXGCBLLUADPVBK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066933
CC(c1nnc2n1CCC2)NCc1ccc(cc1)n1cccn1	MCULE-9504013569,PC-id_45815769	308.381	GWOTUDWQGZAOLF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066934
C[C@@H](NCc1ccc(n2cccn2)cc1)c1nnc2n1CCC2	CoCoCo_4858055,PC-id_93613845,ZINC22_40513717	308.381	GWOTUDWQGZAOLF-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066935
C[C@H](NCc1ccc(n2cccn2)cc1)c1nnc2n1CCC2	CoCoCo_4858056,ZINC22_40513716,PC-id_93613844	308.381	GWOTUDWQGZAOLF-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066936
CN(Cc1cn(c2ccccc2)nn1)Cc1n[nH]c2c1CCC2	ZINC22_72164289,PC-id_56910435,EMOLS-id_43160908,MCULE-7585985418	308.381	UOPIVAOFONRHIE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-066937
S(CC)c1nc(sn1)N/N=C/1c2n(N=C1C)nc(n2)C	PC-id_59913539	308.386	QEJUMUBKDVQUTC-QPEQYQDCSA-N	00000011100000000001000010000000000000000000000000000000	25-01-066938
S(CC)c1nc(sn1)NN=C1c2n(N=C1C)nc(n2)C	PC-id_72594708	308.386	QEJUMUBKDVQUTC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-066939
CCCNC(c1sc2c(n1)CCC2)c1cc(F)cc(c1)F	PC-id_106531776	308.389	IQIRGCOEQJTASW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066940
C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1nc2c(s1)CCC2	ZINC22_95450960,PC-id_97251176	308.389	QQUIADPCFWZFLX-UWVGGRQHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066941
C[C@H](N[C@H](C)c1ccc(F)cc1F)c1nc2c(s1)CCC2	ZINC22_95450961,PC-id_97251177	308.389	QQUIADPCFWZFLX-ZJUUUORDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066942
C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1nc2c(s1)CCC2	ZINC22_95450963,PC-id_97251179	308.389	QQUIADPCFWZFLX-NXEZZACHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066943
C[C@H](N[C@H](C)c1nc2c(s1)CCC2)c1ccc(F)cc1F	ZINC22_95450962,PC-id_97251178	308.389	QQUIADPCFWZFLX-VHSXEESVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066944
CCNC(c1sc2c(n1)CCC2)c1ccc(cc1)C(F)F	PC-id_115524813	308.389	CAVDRTMCSGKNRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066945
CCNC(c1sc2c(n1)CCC2)c1cccc(c1)C(F)F	PC-id_115527569	308.389	NIABAIDSANFJFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066946
CC(NC(c1sc2c(n1)CCC2)c1cc(F)cc(c1)F)C	PC-id_106531782	308.389	BCVXGYYDZZGJTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066947
Fc1ccc(c(c1)F)C(NC(c1nc2c(s1)CCC2)C)C	PC-id_75395422,EMOLS-id_48302714,MCULE-9019564422	308.389	QQUIADPCFWZFLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066948
Fc1cc(ccc1F)C(NCc1sc2c(n1)CCC2)(C)C	EMOLS-id_318220065,MCULE-3820814532	308.389	FCMQTIJTAUXBGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066949
s1c2CCCc2nc1C(NC(C)C)c1cc(F)c(F)cc1	PC-id_61334247	308.389	VCEQQXYDAKAREK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066950
s1c2CCCc2nc1C(NCCC)c1cc(F)c(F)cc1	PC-id_61334796	308.389	AZVSVGQXFLKLEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066951
s1c2CCCc2nc1C(NC(C)C)c1c(F)cccc1F	PC-id_61334051	308.389	HVROVZCOWBSWRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066952
s1c2CCCc2nc1C(NC(C)C)c1c(F)ccc(F)c1	PC-id_61335231	308.389	PUEKIZZMLQQENR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066954
s1c2CCCc2nc1C(NCCC)c1c(F)ccc(F)c1	PC-id_61335767	308.389	OSRHBURAQCVEMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066955
s1c2CCCc2nc1C(NC(C)C)c1c(F)cc(F)cc1	PC-id_61334643	308.389	MDGBONXQWUFQNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066956
s1c2CCCc2nc1C(NCCC)c1c(F)cc(F)cc1	PC-id_61335764	308.389	KHFDLCQHBAHVHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066957
s1c2CCCc2nc1C(NCCC)c1c(F)c(F)ccc1	PC-id_63668440	308.389	HIJVKZVDTABCHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066958
s1c2CCCc2nc1C(NC(C)C)c1c(F)c(F)ccc1	PC-id_63668783	308.389	BDCIGZNOPZDLON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066959
O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)CCC2	EMOLS-id_5566310,PC-id_7254804,CoCoCo_4164174,ZINC22_4496744,MCULE-1561644127	308.394	VCHIWXPTVFCQCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-066960
c1(NC(=O)CN2CCCC2)sc2c(CCC2)c1C(=O)OC	CoCoCo_1050068,EMOLS-id_2547444,SPECS-id_AO-476/43415533,ZINC22_10028106,MCULE-5377153385,PC-id_16393890	308.396	HVMQGRMSKNICIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066961
c1(NC(=O)NC2CCCCC2)sc2c(CCC2)c1C(=O)O	MCULE-3544255159,EMOLS-id_179129493,PC-id_28860249	308.396	NIBUGXCGPKTQCO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066962
CC1(C)[C@H]2C[C@H](NC(=O)c3[nH]cc4c3CCS4(=O)=O)C[C@@H]12	ZINC22_2325781352	308.396	IFATXYQMBOMCBT-UIKWRGBMSA-N	00100010100010000000010010000000000000000000000000000000	25-01-066963
CCC1CC(C(C1)C(=O)Nc1sc2c(n1)CCC2)C(=O)O	PC-id_114511693	308.396	GOEMXBHKFZDPNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066964
CCC1C[C@H]([C@H](C1)C(=O)Nc1sc2c(n1)CCC2)C(=O)O	PC-id_105637109	308.396	GOEMXBHKFZDPNC-CBMCFHRWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066965
CC(C(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2)O	PC-id_109915102	308.396	LCBHFFPABYRDSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066966
CC(C(=O)N1CCOCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_86863389	308.396	WPWBJAPVPDXTQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066967
CCNC(=O)C=C1CSc2n1cc(c2C(=O)OC(C)C)C	SCHEMBL9038197,PC-id_22842912	308.396	MPRFPBZQDMJWMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066968
CC(OC(=O)c1c(C)cn2c1SCC2=CC(=O)N(C)C)C	PC-id_57184346,SCHEMBL9039684	308.396	RKMHSYZXNJHXIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066969
CC(OC(=O)c1c(C)cn2c1SC/C/2=C/C(=O)N(C)C)C	SCHEMBL9039679	308.396	RKMHSYZXNJHXIO-WDZFZDKYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066970
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2)sc2c1CCC2	PC-id_104901069	308.396	JECRPSYAZVGBLQ-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066971
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN2)sc2CCCc12	PC-id_61259313,MCULE-1675560757,EMOLS-id_328039898	308.396	JECRPSYAZVGBLQ-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-066972
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C1(CN)CC1	PC-id_115453201	308.396	BVNDBEKTXRYCHH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066973
CCOC(=O)N1CCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_44491443,PC-id_71944480,MCULE-3855149408,ZINC22_57027204	308.396	WKWLJULXBSECGS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066974
CC(=O)NCC1OCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_111030955	308.396	WITPPHJBXQOZJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066975
CNC(=O)C=C1CSc2n1cc(c2C(=O)OCC(C)C)C	PC-id_139819467	308.396	MPCXCVWGANPMHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066976
CNC(=O)C=C1CSc2n1cc(c2C(=O)OC(C)C)CC	PC-id_67755559,SCHEMBL9038642	308.396	BQDBAAPJAGUHOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066977
CNC(=O)C=C1CSc2n1c(C)c(c2C(=O)OC(C)C)C	PC-id_139819484	308.396	VIEWGVRDMYLAAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066978
CNC(=O)C=C1CSc2n1c(CC)cc2C(=O)OC(C)C	PC-id_139819394	308.396	CAVQABKZJNHJTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-066979
COCCN(C(=O)c1cc2c(s1)CCN2C(=O)C1CC1)C	PC-id_97524530	308.396	GSFMOJSCJXFTRV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-066980
COC(=O)c1c(NC(=O)C2NCCC2C)sc2c1CCC2	PC-id_102779174	308.396	UMKPGGPCZKCKLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066981
COC(=O)c1c(NC(=O)C(C2CNC2)C)sc2c1CCC2	PC-id_116677349	308.396	LDQRWVHXXLRUDC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-066982
COC(=O)c1c(NC(=O)[C@H]2CCCCN2)sc2c1CCC2	PC-id_104913724	308.396	JRZLDLFPZXWMKL-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066983
COC(=O)c1c(NC(=O)[C@@H]2CCCCN2)sc2c1CCC2	PC-id_104913725	308.396	JRZLDLFPZXWMKL-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-066984
COC(=O)c1c(NC(=O)[C@@H]2CNC[C@H]2C)sc2c1CCC2	PC-id_105573719	308.396	SPVBVYBIJCTFEN-PSASIEDQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066985
COC(=O)c1c(sc2c1CCC2)NC(=O)C1(CN)CCC1	PC-id_115448446	308.396	VBSAAZUPGOTTBC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-066986
COC(=O)N1CCC(NC(=O)c2cc3c(s2)CCC3)CC1	ZINC22_57455279,MCULE-7992564805,EMOLS-id_44501542,PC-id_71937348	308.396	HABRDWJHTKVZFV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066987
NC(=O)C1(CNC(=O)c2cc3c(s2)CCC3)CCOCC1	MCULE-2634689276,EMOLS-id_36926302,PC-id_56817230,ZINC22_71818904	308.396	PGMQRXNOWSGXBZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066988
O=C(Nc1sc2c(c1C(=O)O)CCC2)CN1CCCCC1	SCHEMBL6203556,PC-id_28866182	308.396	BYEIEAAHOCOFHX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066989
s1c2c(CCC2)cc1C(=O)N1CCCN(CC1)CC(=O)O	PC-id_62823205	308.396	BBFUVQMKHYQBJK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-066990
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CCC(=O)O	PC-id_43522176	308.396	VJMGIXQMHXKFLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066991
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(C)C(=O)O	PC-id_62317755	308.396	AASMGZJOTWMPOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066992
s1c2c(CCC2)cc1C(=O)N1C(CNCC1)C(=O)OCC	PC-id_65637749	308.396	JRPCRKGJCNHPSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-066993
s1c2c(CCC2)c(c1NC(=O)C1CCCNC1)C(=O)OC	PC-id_61251921	308.396	SSPQMFFDGUQKQO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066994
s1c2c(CCC2)c(c1NC(=O)C1(CCNC1)C)C(=O)OC	PC-id_63141406	308.396	WATIHNYNIBJFKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066995
s1c2c(CCC2)c(c1NC(=O)C1C(CNC1)C)C(=O)OC	PC-id_63716342	308.396	SPVBVYBIJCTFEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066996
s1c2c(CCC2)c(c1NC(=O)C1CCNC1)C(=O)OCC	PC-id_63005479	308.396	UAPSEJRKZCWGQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066997
s1c2c(CCC2)c(c1NC(=O)C1CCNCC1)C(=O)OC	PC-id_61251920	308.396	BREMEOAYNCZJMY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-066998
s1c2c(CCC2)c(c1NC(=O)C1CC(N)CC1)C(=O)OC	PC-id_66008797	308.396	PHXHEBXOXWDPBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-066999
s1c2c(CCC2)c(c1NC(=O)C1C(NCC1)C)C(=O)OC	PC-id_79379678	308.396	FESYULWTSHZJGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067000
s1c2c(CCC2)c(c1NC(=O)C1C(N)CCC1)C(=O)OC	PC-id_64822108	308.396	RXKKZOADQNDHRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067001
s1c2c(CCC2)c(c1NC(=O)C1(NCCC1)C)C(=O)OC	PC-id_64383576	308.396	GWTGLVHGBDRGMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067002
s1c2c(CCC2)c(c1NC(=O)C1NCCC1)C(=O)OCC	PC-id_60710741	308.396	JECRPSYAZVGBLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067003
s1c2c(CCC2)c(c1NC(=O)C1(N)CCC1)C(=O)OCC	PC-id_81173212	308.396	WYZBPIOZOANSNL-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-067004
s1c2c(CCC2)c(c1NC(=O)C1NCCCC1)C(=O)OC	PC-id_61251922	308.396	JRZLDLFPZXWMKL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067005
s1c2c(CCC2)c(c1NC(=O)C1(N)CCCC1)C(=O)OC	PC-id_61253075	308.396	YLAFNLICUUQZCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067006
s1c2c(CCC2)c(c1NC(=O)CC1CCNC1)C(=O)OC	PC-id_65954552	308.396	BRJKCEKBIJOZJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067007
s1c2c(CCC2)c(c1NC(=O)CC1CNC1)C(=O)OCC	PC-id_64611622	308.396	HLIAGBALGGVCJN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-067008
s1c2c(CCC2)c(c1NC(=O)CC1NCCC1)C(=O)OC	PC-id_61364694	308.396	NPNBKFXDVSRUPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067009
s1c2c(CCC2)c(c1NC(=O)CC1(N)CCC1)C(=O)OC	PC-id_79844491	308.396	UDORSWZWVYTAJZ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-067010
s1c2c(CCC2)c(c1NC(=O)CCN1CCCC1)C(=O)O	PC-id_81675894	308.396	MHTKHCADFBCXTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067011
s1c2c(CCC2)c(c1NC(=O)CCNC1CC1)C(=O)OC	PC-id_61252878	308.396	QAWIPVTWEUAWRY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-067012
s1c2c(CCC2)c(c1NC(=O)CC(N)C1CC1)C(=O)OC	PC-id_81989467	308.396	XRVHNBQHXMAUTQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-067013
s1c2c(CCC2)c(c1NC(=O)[C@H]1CCCNC1)C(=O)OC	PC-id_81133699	308.396	SSPQMFFDGUQKQO-VIFPVBQESA-N	00000010100010000000000010000000000000000000000000000000	25-01-067014
s1c2c(CCC2)c(c1NC(=O)[C@@H]1CCCNC1)C(=O)OC	PC-id_81133700	308.396	SSPQMFFDGUQKQO-SECBINFHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067015
s1c2c(CCC2)c(c1NC(=O)CNC1CC1)C(=O)OCC	PC-id_60647248	308.396	TWYWOFXKOHUFAG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-067016
s1c2c(CCC2)c(c1NC(=O)CNCC1CC1)C(=O)OC	PC-id_61252879	308.396	RZWUSVUMEKSISP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-067017
s1c2c(CCC2)c(c1NC(=O)CNCC=C)C(=O)OCC	PC-id_78908478	308.396	UMCNHRLGXZXLNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067018
s1c2c(CCC2)c(c1NC(=O)C(N)CC=C)C(=O)OCC	PC-id_81770808	308.396	VERBAAKRCSVAQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067019
s1c2c(CCC2)c(c1NC(=O)N1CC(CCC1)C)C(=O)O	PC-id_79158201	308.396	RAWFNVSFJMVQSZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067020
s1c2c(CCC2)c(c1NC(=O)N1CCC(CC1)C)C(=O)O	PC-id_79158202	308.396	XWFILYDZTFSSQJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067021
s1c2c(CCC2)c(c1NC(=O)N1CCCCCC1)C(=O)O	PC-id_79157467	308.396	OYFKKMOQBLGNND-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-067022
s1c2CCCc2nc1NC(=O)CC1(CCCC1)CC(=O)O	PC-id_61508672	308.396	VBWMVFYPKUQSMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067023
s1c2CCCc2nc1NC(=O)CC1(CCCCC1)C(=O)O	PC-id_61509156	308.396	FTWCQRYDNTVNAY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067024
S1c2n(C(=C(CC)C(=O)N)C1)cc(c2C(=O)OC(C)C)C	PC-id_57236129	308.396	PYEYBTFAIFFLEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067025
S1c2n(C(=C(C)C(=O)N)C1)cc(c2C(=O)OC(C)C)CC	PC-id_57018630	308.396	LXDHQHNBMITKKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067026
S1c2n(/C(=C/C(=O)NC)/C1)cc(c2C(=O)OC(C)C)CC	PC-id_19903368	308.396	BQDBAAPJAGUHOK-IZZDOVSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067027
S1c2n(/C(=C/C(=O)N(C)C)/C1)cc(c2C(=O)OC(C)C)C	PC-id_19903384	308.396	RKMHSYZXNJHXIO-IZZDOVSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067028
s1c(NC(=O)C(N)(C2CC2)C)c(c2CCCc12)C(=O)OC	PC-id_61253074	308.396	ZFZDAGZXDBCSCX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-067029
C1(c2ccccc2)(C(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_328208961,MCULE-7295093638	308.397	HDVOZUFPQACQTE-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-067030
c1(NC(=Cc2ccccc2C)C=O)sc2c(CCC2)c1C#N	MCULE-6564047009	308.397	NTTHIHUTPAMFHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067031
c1(NC(=O)C2CC2c2ccccc2)sc2c(CCC2)c1C#N	TIMTEC334123,PC-id_4419649,EMOLS-id_3996058,MCULE-1473198650	308.397	NKIGXRDIGOOBNE-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-067032
Cc1ccccc1/C=C(Nc1sc2CCCc2c1C#N)/C=O	EMOLS-id_322613858	308.397	NTTHIHUTPAMFHR-ZROIWOOFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067033
Cc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327862632	308.397	FJQSZEJATQLAMH-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067034
C=CCSc1cc2n(c1C(=O)c1ccccc1)CCC2C#N	SCHEMBL10818471,PC-id_70450800	308.397	UJIOJKYHBLWESY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067035
C=CCSc1ccccc1C(=O)c1ccc2n1CCC2C#N	PC-id_70599508,SCHEMBL11500613	308.397	LBPRFCDTYJHHDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067036
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(cc1)C	MCULE-2172710026	308.397	FJQSZEJATQLAMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067037
N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCC2	CoCoCo_6815612,ZINC22_355912,PC-id_831941	308.397	NKIGXRDIGOOBNE-KGLIPLIRSA-N	00100010100000110000100010000000000000000000000000000000	25-01-067038
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCC2	CoCoCo_6815613,ZINC22_1000050,PC-id_1223962	308.397	NKIGXRDIGOOBNE-ZIAGYGMSSA-N	00100010100000110000100010000000000000000000000000000000	25-01-067039
N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCC2	ZINC22_1000051,CoCoCo_6815615,PC-id_1223963	308.397	NKIGXRDIGOOBNE-KBPBESRZSA-N	00100010100000110000100010000000000000000000000000000000	25-01-067040
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCC2	ZINC22_355913,CoCoCo_6815614,PC-id_831942	308.397	NKIGXRDIGOOBNE-UONOGXRCSA-N	00100010100000110000100010000000000000000000000000000000	25-01-067041
s1c2CCCc2c(c1/N=C/c1cc(OCC=C)ccc1)C#N	PC-id_50887561	308.397	JKPSAEUQDMKFHQ-UDWIEESQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067042
s1c2CCCc2c(c1N=Cc1cc(OCC=C)ccc1)C#N	PC-id_75575328	308.397	JKPSAEUQDMKFHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067043
c1(NC(=O)C2CC2)c2CSCc2nn1CC(=O)NCCC	PC-id_30862073,MCULE-3351397613,EMOLS-id_24913125,CoCoCo_5277491,ZINC22_23138735	308.399	RLTHQKCMJBAOIL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067044
c1(NC(=O)C2CC(=O)N(C(C)C)C2)n(C)nc2CSCc12	MCULE-2237195470,EMOLS-id_334564539	308.399	NJSPMWPATWUNKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067045
c1(NC(=O)C(=O)NCC=C)c2CSCc2nn1C(C)(C)C	CoCoCo_5184685,ZINC22_5438091,EMOLS-id_5617860,MCULE-4581755775,PC-id_7685464,ChEMBL-DNDi_CHEMBLF2780-0690	308.399	GOFHAYHPSQVHQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067046
C1(=O)N(C)CCN1CC(=O)NCCc1sc2c(CCC2)n1	PC-id_121502529,ZINC22_426497366,EMOLS-id_177423031,MCULE-7488607702	308.399	QPFMYXXUCVBSBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067047
CC1NC(=O)CN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010782	308.399	YHXHYXVVBDGRHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067048
CC(C)n1nc(Cn2cccc2)c2c1CN(S(=O)(=O)C)C2	PC-id_97405372,ZINC22_96084546	308.399	BJGXXXNICYEYCB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-067049
CC(n1ncc(c1)CS(=O)(=O)c1[nH]c2c(n1)CCC2)(C)C	EMOLS-id_318750875	308.399	NZVXGMMLCSBHMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067050
CCN(C(=O)C1CSCN1C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_110326804	308.399	LQXQSKRZXVEPQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067051
COCCN1Cc2c(C1)[nH]nc2COCc1csc(n1)C	PC-id_97520316	308.399	PUIGADKLYVORIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067052
N#CC1N(CCCC1(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100908972	308.399	XCJFKRUVVWMSML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067053
NC(=O)C1CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1	MCULE-7396481022,PC-id_56796675,EMOLS-id_37004011,ZINC22_51200096	308.399	SMLLJYKZIYZUOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067054
O=C1NCCC1N(C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102005610	308.399	UIYAOBLWWYGELS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067055
O=C1NCCN(C1C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003828	308.399	CISMCZGLCVOHSV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067056
O=C1NCCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002007	308.399	GHPYTNIIGMNWGZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-067057
O=C(C1CCN(C(=O)C1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99830236	308.399	NZWZUZSQLAZIOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067058
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CNC(=O)C1	EMOLS-id_102010923	308.399	MCXRNBMAORJJPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067059
s1c2c(CCC2)cc1CNC1C(N(CC)C(=O)NC1=O)N	PC-id_76895639	308.399	VTVHOFSQWMQIPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067060
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C/C(=N/O)/N	PC-id_63336748	308.399	INYHJEUNIMXZAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067061
S1Cc2c(nn(c2NC(=O)C=CC)CC(=O)NCCC)C1	PC-id_44052867	308.399	HRPAFETYTQMXDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067062
N#Cc1n(COCC[Si](C)(C)C)nc2c1CN(C2)C(=O)O	SCHEMBL9899514,PC-id_67957719	308.408	MFGXWIMNUMWATF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067063
CC1CCCN1C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8980451056,EMOLS-id_328342674	308.417	FOAACIHIIHUUSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067064
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1C=O	MCULE-8511106602,EMOLS-id_330989491	308.417	AGHQAQRGXHBRDH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067065
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCCC1	MCULE-2636787184,EMOLS-id_328336798	308.417	BZCIHCMWTSJLRW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-067066
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCCC1	MCULE-9690219055,EMOLS-id_328211838	308.417	XCWMPVPZDHNIJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067067
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC1CCC1	MCULE-8842882222,EMOLS-id_328215419	308.417	OFRXAXYHZFKGMF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-067068
c12CN(Cc1nn(C(C)C)c2CN(C)C)C(=O)OC(C)(C)C	EMOLS-id_324350055,MCULE-8613664844	308.419	MEQROWJICCMMRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067069
c12CN(Cc1nn(CC(C)C)c2CNC)C(=O)OC(C)(C)C	MCULE-4104631488,EMOLS-id_324351075	308.419	SNSVALCZVQGGND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067070
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=C)C	EMOLS-id_186632871,MCULE-5070680515	308.419	UDTBCMJLIBSXAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067071
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCC=C	EMOLS-id_186660463,MCULE-4801757026	308.419	UUTIAQGNIZCLGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067072
Cc1ccc(cc1C)S(=O)(=O)Nc1nc2CCCc2s1	PC-id_84569915,EMOLS-id_181477917,MCULE-6171328165	308.419	UFUDVJHROJMCIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067073
Cc1cccc(c1)CS(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318377091	308.419	KMQUKYAJDIXQRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067074
Cc1ccccc1CS(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318491726	308.419	QROSAPFRWFOCBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067075
Cc1ccc(c(c1)C)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318693393	308.419	WPCXCHORWQPCKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067076
Cc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318763306	308.419	SHRFBVBDGJWJCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067077
Cc1csc(n1)CNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956513	308.419	KKNQBMIMZRXGHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067078
CCc1ccc(cc1)S(=O)(=O)Nc1nc2CCCc2s1	MCULE-6955308151,PC-id_84569972,EMOLS-id_181477973	308.419	XOAVRQCWVURKDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067079
CCc1ccc(s1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_106006514	308.419	HBTDSDLZJMWDGV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067080
CCc1ccsc1CNc1nc2c(s1)CCC2C(=O)O	PC-id_104289095	308.419	GAWYTVYWLMVIFW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067081
CCC(c1cccs1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288147	308.419	VRFXHORXLVBELX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067082
CC(Cc1cccs1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288812	308.419	LZFNEIOFUSRTDZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067083
CC(C)C[C@@H](C)OCCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_97222887,ZINC22_95410105	308.419	DSNVURBDYQHKTG-OLZOCXBDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067084
CC(C)C[C@H](C)OCCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_97222888,ZINC22_95410106	308.419	DSNVURBDYQHKTG-STQMWFEESA-N	00000010100000000001000010000000000000000000000000000000	25-01-067085
CC(C)C[C@H](C)OCCC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_97222890,ZINC22_95410108	308.419	DSNVURBDYQHKTG-QWHCGFSZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067086
CC(C)C[C@@H](C)OCCC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_95410107,PC-id_97222889	308.419	DSNVURBDYQHKTG-CHWSQXEVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067087
CC(CC(OCCC(=O)NC(c1nnc2n1CCC2)C)C)C	MCULE-7296644545,PC-id_75425513,EMOLS-id_48254855	308.419	DSNVURBDYQHKTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067088
CCN(c1nc2c(s1)CCC2C(=O)O)Cc1cccs1	PC-id_104288361	308.419	RPULJMJERKBUFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067089
CC(Nc1nc2c(s1)CCC2C(=O)O)Cc1cscc1	PC-id_104288399	308.419	YXJDHKNUXKNDQC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067090
CCOC(=O)C1CCc2c1nc(s2)Cc1csc(n1)C	PC-id_104287141	308.419	CVSBRKBSLSSXLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067091
CCOC(=O)C1CCc2c1nc(s2)Cc1scc(n1)C	PC-id_104287140	308.419	AHBNCIJXSFHPNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067092
CCOC(=O)C1CCc2c1nc(s2)NCc1cccs1	PC-id_104287792	308.419	KSOLAZUFQOKWIA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067093
CCOC(=O)C1CCc2c1nc(s2)NCc1cscc1	PC-id_104288671	308.419	WMFTZLFJFMMZSI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067094
CCOC(=O)n1nc2c(c1NC(C)C)CN(C2(C)C)C(C)C	PC-id_59145522,SCHEMBL11938841	308.419	IFYFSOWCFOIFOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067095
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(C)C)NC(C)C	PC-id_59145521,SCHEMBL11938842	308.419	OSRZCSOLRHFXBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067096
COc1cc(sc1C(=O)NCc1sc2c(n1)CCC2)C	EMOLS-id_318674106	308.419	WCPPWHXMPCEMBV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067097
CS(=O)(=O)c1ccccc1CNc1sc2c(n1)CCC2	EMOLS-id_318374871,MCULE-2396316815	308.419	JZMVYCYCXLOIRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067098
CS(=O)(=O)c1cccc(c1)CNc1sc2c(n1)CCC2	EMOLS-id_318445318,MCULE-1281084755	308.419	NHASAEHGNFGQFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067099
CS(=O)(=O)c1ccc(cc1)CNc1sc2c(n1)CCC2	MCULE-8482589725,EMOLS-id_318491047	308.419	CBSZLBFAHKBKAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067100
CS(=O)(=O)c1ccc(cc1)NCc1sc2c(n1)CCC2	EMOLS-id_318379511,MCULE-4335476104	308.419	BJWFPFIPTHMGGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067101
CS(=O)(=O)c1cccc(c1)NCc1sc2c(n1)CCC2	EMOLS-id_318546055,MCULE-6349390806	308.419	FOTJEYUEBIVKLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067102
CS(=O)(=O)c1ccccc1NCc1sc2c(n1)CCC2	EMOLS-id_318816535,MCULE-3565550007	308.419	JEQRELSVSWHVFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067103
CS(=O)(=O)c1cccnc1NCc1sc2c(c1)CCC2	PC-id_114598730	308.419	MCWBJWMUTULHFM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067104
OCC(NC(=O)c1sc2c(c1)CCC2)Cc1scnc1	EMOLS-id_316594628,MCULE-1200582483	308.419	XJMKZSXHUOHPHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067105
OC(=O)C1CCc2c1nc(s2)N(C(c1cccs1)C)C	PC-id_104288234	308.419	GGPADNKQOQILFE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067106
OC(=O)C1CCc2c1nc(s2)NC(c1ccc(s1)C)C	PC-id_104288412	308.419	QPUDRSMGBMCSMC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067107
OC(=O)C1CCc2c1nc(s2)NCc1sc(c(c1)C)C	PC-id_104288846	308.419	KNPIJUBGOZJSDW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067108
OC(=O)C1CCc2c1nc(s2)N(CCc1cccs1)C	PC-id_104289071	308.419	UUERBEAPXBFFFO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067109
O=S(=O)(c1ccccc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318712885	308.419	WFTODZACPMHMHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067110
s1c2CCCc2cc1CNc1ccc(S(=O)(=O)N)cc1	PC-id_61208007	308.419	TYBCCBBXQPVLGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067111
s1c2c(CCC2)cc1CNc1c(S(=O)(=O)N)cccc1	PC-id_61208009	308.419	QZSKYEMQKYDHDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067112
s1c2c(CCC2)cc1CNS(=O)(=O)c1ccc(N)cc1	PC-id_61207952	308.419	DFAIWXQEMCAPRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067113
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(N)ccc1	PC-id_61207759	308.419	GVUOYEJJNWVBCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067114
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(N)cccc1	PC-id_61207953	308.419	FLMHMYSQZBWMAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067115
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCCC1)C)C(=O)N	PC-id_9275028	308.419	DGZMSYNDPIGIGG-VIFPVBQESA-O	00000010100000000000000010000000000000000000000000000000	25-01-067116
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCCC1)C)C(=O)N	PC-id_9275031	308.419	DGZMSYNDPIGIGG-SECBINFHSA-O	00000010100000000000000010000000000000000000000000000000	25-01-067117
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCCC1)C)C(=O)N	PC-id_84968693	308.419	DGZMSYNDPIGIGG-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-067118
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCC1)C(=O)N	PC-id_8084718	308.419	JNXHILVOSLGTTD-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-067119
S(=O)(=O)(c1cc(C)ccc1C)Nc1snc2CCCc12	PC-id_54774510,MCULE-8488328068	308.419	RMKDAXUDUJNLEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067120
C1C[C@@H]2C[C@@H]2C(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-5354844683,EMOLS-id_320018654	308.421	QVFMSXYZEBMEGB-UMFITKPXSA-N	00100010100010110001010010000000000000000000000000000000	25-01-067121
c12SCCn1cc(CNC(=O)c1csc(CCC)n1)n2	PC-id_72873694,ZINC22_91574736,MCULE-4162007619,EMOLS-id_46051013	308.422	ZFHLZCDTQVMLAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067122
c12SCCn1cc(CNC(=O)CCc1scnc1C)n2	PC-id_50950849,ZINC22_65373117,MCULE-4659705547,EMOLS-id_32373206	308.422	BYBSLJRUHQQUPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067123
Cc1ncc(s1)CN(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318727261	308.422	VIPIDIUMDITBOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067124
CCc1nnc(s1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318633424	308.422	SJICFDOVESXKHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067125
CCc1nnsc1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318630563	308.422	TWPRAQMZLCKPIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067126
CCCCOCCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020283	308.422	CCYUBZKUOQGCKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067127
CCNC(=NCc1nnc2n1CCC2)NCCCCOCC	PC-id_111020141	308.422	KWDVZBGVGDXMRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067128
CN(c1sc(c(n1)C)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318511052	308.422	JGOHCVXGMWDNQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067129
CN=C(NCc1nnc2n1CCC2)NCCCOCC(C)C	PC-id_111020525	308.422	GTZIBXHUSRBVPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067130
CN=C(NCc1nnc2n1CCC2)NCCOCCC(C)C	PC-id_111020607	308.422	RQINVJFEJRCPIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067131
CNC(=O)c1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_103378440	308.422	OSWXMLIQXDUOGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067132
CN(C(=O)Nc1sc2c(n1)CCC2)Cc1scnc1C	EMOLS-id_318466334	308.422	DYVNIBUHGWITJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067133
CN(C(=O)Nc1sc2c(n1)CCC2)CCc1nccs1	EMOLS-id_318457996	308.422	USRBPMKDKLAEGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067134
COC(C(C)(C)C)CNC(=NC)NCc1nnc2n1CCC2	PC-id_111710311	308.422	FHILFCVVBSKYMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067135
O=C(Cc1nnc(s1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318685785	308.422	FRCCKUZMQTWMKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067136
O=C(Cc1sc(nc1C)C)NCc1cn2c(n1)SCC2	PC-id_74249643,MCULE-8262677868,EMOLS-id_49678754	308.422	COICVPRNBXRWRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067137
O=C(Nc1csnc1C)NCCc1sc2c(n1)CCC2	EMOLS-id_319192290	308.422	KGXFHWTYNRCOTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067138
s1c(=Nc2nc(c(OC)cc2C)C)n2n(CCC2)c1=S	PC-id_18717452	308.422	FMNBDJAWSMWOIM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067139
c1(C(=O)N(CCC)CCC)c2CCCc2sc1NC(=O)C	PC-id_750034,MCULE-5288903447,CoCoCo_665813,EMOLS-id_233024576,ZINC22_198085	308.439	VRBRAVDYKLXQPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067140
c1(C(=O)OC)c2C(C)CCc2nn1C(C)C1CCSCC1	MCULE-4428569666,EMOLS-id_330974393	308.439	KSVBTCKHGIOZOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067141
c1(NC(=O)CCCCCC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334334418,MCULE-5080202146	308.439	BCLIDOXAXBTOPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067142
CC1CCC(CC1)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288874	308.439	IACJFASTXXMOGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067143
CC1CCCC(C1)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288875	308.439	MVFIKWKZCBIGGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067144
CCC1CCC(CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288435	308.439	UQCXRVWAZDIWOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067145
CCC1CCC(CC1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288456	308.439	WDZYQUODERJLJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067146
CC(C1CCCCC1Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104289180	308.439	QNGOMMVRSNMOPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067147
CCCC1CCC(CC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288318	308.439	RNLOKVVXUUUBAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067148
CCC(C1CCCCC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288630	308.439	QYNHKZCMKHFODI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067149
CCCCCCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8288688,PC-id_60001295	308.439	WKULAUDKIAHVCI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067150
CCCCC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)CC	EMOLS-id_42991840,PC-id_45153847	308.439	MTVFUBZHYAHHJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067151
CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_35523759,ZINC22_28225601,CoCoCo_6452860	308.439	MTVFUBZHYAHHJG-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-067152
CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_28225597,CoCoCo_6452861,PC-id_35523757	308.439	MTVFUBZHYAHHJG-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067153
CCCCN(c1sc2c(n1)C(CC2)C(=O)OCC)C1CC1	PC-id_104288154	308.439	IKBATCZTGNCUOY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067154
CCCN1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956572	308.439	FFMNZUVLHFMWQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067155
CC(CN(c1nc2c(s1)CCC2C(=O)O)C1CCCC1)C	PC-id_104289085	308.439	CBMNDUAEAFPHOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067156
CCCN(c1sc2c(n1)C(CC2)C(=O)OCC)CC1CC1	PC-id_104288163	308.439	FWGHMGKRSGNRER-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067157
CCOC(=O)C1CCc2c1nc(s2)N(C1CC1)CC(C)C	PC-id_104288187	308.439	ZUXIDTSZHQQGEH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067158
CCOC(=O)C1CCc2c1nc(s2)NC1C(C1(C)C)(C)C	PC-id_104289063	308.439	FGRROLBZFMUNGN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067159
CCOC(=O)C1CCc2c1nc(s2)N(C1CCCC1)CC	PC-id_104287921	308.439	VHZDSANLDNFJKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067160
CCOC(=O)C1CCc2c1nc(s2)NC1CCC(C1C)C	PC-id_104288969	308.439	MMXPMCVLDHMXFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067161
CCOC(=O)C1CCc2c1nc(s2)NC1CCCC1(C)C	PC-id_104289060	308.439	WONDTDVNZAQREC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067162
CCOC(=O)C1CCc2c1nc(s2)NC1CCC(C1)(C)C	PC-id_114541659	308.439	KIEKOEBKRDCFJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067163
CCOC(=O)C1CCc2c1nc(s2)NC1CCCCC1C	PC-id_104287608	308.439	FXXBTYXEJDNCTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067164
CCOC(=O)C1CCc2c1nc(s2)NC1CCC(CC1)C	PC-id_104287662	308.439	KROVNTXNYBHWHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067165
CCOC(=O)C1CCc2c1nc(s2)N(C1CCCCC1)C	PC-id_104287709	308.439	JBAZPMJLLJIJHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067166
CCOC(=O)C1CCc2c1nc(s2)NC1CCCC(C1)C	PC-id_104287877	308.439	MCKNAHWKTHQPEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067167
CCOC(=O)C1CCc2c1nc(s2)NC1CCCCCC1	PC-id_104287786	308.439	LRWSLQZFFFEFQH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-067168
CCOC(=O)C1CCc2c1nc(s2)NC1(C)CCCCC1	PC-id_104288264	308.439	TZFZZOYXFXQWJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067169
CCOC(=O)C1CCc2c1nc(s2)NCC1(CC1)C(C)C	PC-id_105805115	308.439	KZSPPAPLXNVEDS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067170
CCOC(=O)C1CCc2c1nc(s2)N(CC1CCC1)CC	PC-id_107402977	308.439	KLMDKJHVYKYOAK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067171
CCOC(=O)C1CCc2c1nc(s2)N(CC1CCCC1)C	PC-id_104288715	308.439	KXZGMCAIJLHRRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067172
CCOC(=O)C1CCc2c1nc(s2)NC(C1CCCC1)C	PC-id_104288821	308.439	ODCUDRBAMGFNES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067173
CCOC(=O)C1CCc2c1nc(s2)NCC1CCC(C1)C	PC-id_107415770	308.439	OLANGOKZHDAJER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067174
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCC1C	PC-id_107421101	308.439	CAJQBMRETPJSDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067175
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCCC1	PC-id_104287870	308.439	IJELJYHQBHUZJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067176
CCOC(=O)C1CCc2c1nc(s2)NCC1(C)CCCC1	PC-id_104288718	308.439	COOXJYQOYZDUGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067177
CCOC(=O)C1CCc2c1nc(s2)NCC1(CCC)CC1	PC-id_105713411	308.439	HVNMJCCQAIERAE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067178
CCOC(=O)C1CCc2c1nc(s2)NCC1(CC)CCC1	PC-id_105769415	308.439	NROGPMSPNLQCMF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067179
CCOC(=O)C1CCc2c1nc(s2)NC(CC1CC1)CC	PC-id_104288815	308.439	BWVXAPTUNLKKAF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067180
CCOC(=O)C1CCc2c1nc(s2)NCCC1CCCC1	PC-id_104288051	308.439	PNPFXPMHGPXEKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067181
CCOC(=O)C1CCc2c1nc(s2)N(C(C)C)CC1CC1	PC-id_104288459	308.439	YJCVHNHDMRHAHM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067182
CNc1c(c2c(s1)CCC2)C(=O)NC1CCC(CC1)OC	SCHEMBL20353886,PC-id_135200309	308.439	CLBGMWFTRQZMCJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067183
COCC1(CCNCC1)CNC(=O)c1sc2c(c1)CCC2	MCULE-9932007612,EMOLS-id_302749452,PC-id_120888622	308.439	FSCUDVSXAHWZNS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067184
COCC1(CCNCC1)C(=O)NCc1sc2c(c1)CCC2	PC-id_108121318	308.439	NQGZVMUKJHZJOR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067185
COCCN1CCCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_31983230,ZINC22_48251863,PC-id_51082490,MCULE-5810980300	308.439	JPMLWBVRQBRSQZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-067186
COCCN(C(=O)c1sc2c(c1)CCC2)CC1CCCN1	PC-id_106611750	308.439	TVUFNEMJMQWSFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067187
NCCCOC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	MCULE-8037254523,PC-id_79736992,EMOLS-id_301382765	308.439	RGURWBNJTQRMIE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067188
OC1CCN(CC1)CCCNC(=O)c1sc2c(c1)CCC2	PC-id_111434010	308.439	OXKUDVDWBMIOCN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067189
O=C(CC1CC(C1(C)C)O)NCCc1sc2c(n1)CCC2	EMOLS-id_319749239	308.439	NLSZQMYEVHBDOP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067190
O=C(Nc1sc2c(n1)C(CC2)(C)C)CCC1CCCCO1	EMOLS-id_102180279	308.439	VOSPEBUAWQGHOG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067191
O=C(Nc1sc2c(n1)C(CC2)(C)C)CCC1CCC(O1)C	EMOLS-id_102180324	308.439	JYOSRHKQRQXCKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067192
O=C(Nc1sc2c(n1)C(CC2)(C)C)CCC1CCOCC1	EMOLS-id_102180318	308.439	XKRAQHMPGDTYHB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067193
O=C(NCCCCN1CCOCC1)c1cc2c(s1)CCC2	MCULE-3166098216,PC-id_51082241,ZINC22_48251919,EMOLS-id_31980454	308.439	WLJQMSGYDOSZHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067194
OC(=O)C1CCc2c1nc(s2)N(C1CCC(CC1)(C)C)C	PC-id_104289106	308.439	VLLYJQYCZAWUBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067195
s1c2c(CCC2)cc1CNC1CCN(CC1)C(=O)OCC	PC-id_61209330	308.439	USSACCMBRLFLNO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067196
s1c2c(CCC2)cc1CNC1CN(C1)C(=O)OC(C)(C)C	PC-id_63303317	308.439	ZJHBRBLDSFPEFN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-067197
s1c2c(CCC2)cc1CNC(=O)C1C(NCCC)COC1	PC-id_66255776	308.439	MDXXMUXSMURIBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067198
s1c2CCCc2cc1CNC(=O)CCOC1CCNCC1	PC-id_63905433	308.439	IEKVCZLZLPDHAA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067199
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CC(O)(C)C	PC-id_63657995	308.439	NCUDYJDODBSQHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067200
s1c2CCCc2cc1C(=O)NCCCOC1CCNCC1	PC-id_63869788	308.439	NLGFQYSCIFVTBB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067201
s1c2c(CCC2)cc1C(=O)NCC(N1CCOCC1)(C)C	PC-id_51173153	308.439	IQKOVRJHUPXZJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067202
s1c2CCCc2cc1C(=O)NCCOC1CCC(N)CC1	PC-id_63870807	308.439	QBPPQZHXJWBTJD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067203
s1c2CCCc2cc1C(=O)N(CC(=O)NC(C)(C)C)CC	PC-id_37094484	308.439	IOJWWHHFDWRKQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067204
s1c2C(OC(c2c(C(=O)N2CCCCC2)c1N)(C)C)(C)C	PC-id_79908061	308.439	UABODHCWFQJEIL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067205
S1Cc2c(onc2C1)NC(=O)C1CCC(CC1)CCCC	PC-id_49719026	308.439	VBMFFMIDRVQNPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067206
c1(nnc2SCCn12)NC(=O)C1CCC(CC1)CCCC	ZINC22_17269924,PC-id_22582932,EMOLS-id_16349341,MCULE-8190213165	308.442	BGYWMBWLMQDYDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067207
CC1CCCC(C1)NC(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99844544	308.442	AIOWGPBNWSXIRM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067208
CC1CCN(CC1)CC(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99881471	308.442	YQQAJEAFXWKVAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067209
CC(C1SCCN(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101417088	308.442	FRTLDYZQIZKQNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067210
CCCC[C@@H]1CC[C@@H](CC1)C(=O)Nc1nnc2n1CCS2	CoCoCo_2590460	308.442	BGYWMBWLMQDYDH-TXEJJXNPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067211
CCCC[C@@H]1CC[C@H](CC1)C(=O)Nc1nnc2n1CCS2	CoCoCo_2590461	308.442	BGYWMBWLMQDYDH-HAQNSBGRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067212
C[C@@H]1CCN([C@@H](C1)C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_102197113	308.442	NFPOCCCNEAUTTF-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067213
CN1CCC(C1)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007140	308.442	SLMYPDADYOCKIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067214
CN1CCC(CC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999955	308.442	ZBHVRYUROFFWAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067215
CN(C(=O)NCCc1nc2n(c1)CCS2)C1CC(C1)(C)C	EMOLS-id_101654806	308.442	BXXXMQIHMOTJGP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067216
CSC1CCCC(C1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418639	308.442	YCYSXFURZRIKIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067217
CSC1CCCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101577060	308.442	YSORYCAIGHOMRE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-067218
CSCC1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422959	308.442	WLBAPHQZNSKLTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067219
O=C(CN1C(C)CCC1C)NCCc1cn2c(n1)SCC2	EMOLS-id_99893927	308.442	USENTHWDMWSDMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067220
O=C(N1CCC(CC1)(C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_99906024	308.442	YKMPBAGFVQBETP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067221
O=C(N1CCSC(CC1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101421708	308.442	ROIZZNPSIXTFNW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-067222
O=C(NC1CCC(C1)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99869246	308.442	FEBPNLIXTDUHTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067223
O=C(Nc1sc2c(n1)CCC2)CN1CCC(C(C1)(C)C)N	PC-id_120775131	308.442	SIQXDKRSTJRIEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067224
CCC1SCCN(C1)C(=NC)NCc1nnc2n1CCC2	PC-id_109485958	308.446	MAYPOXCXHVTENX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067225
CCNC(=NCc1nnc2n1CCC2)NCC1CCCS1	PC-id_109667791	308.446	HTYQLQIYIRCULN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067226
CN=C(N1CCSC(C1)(C)C)NCc1nnc2n1CCC2	PC-id_109488718	308.446	INTRVSPKKQRGPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067227
CN=C(NCC1(C)CCCS1)NCc1nnc2n1CCC2	PC-id_109740201	308.446	YJJDITHPWLEKGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067228
CSC1CCC(C1)NC(=NC)NCc1nnc2n1CCC2	PC-id_111529953	308.446	UYRHJWASWVSUDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067229
CC(c1sc2c(n1)CCC2)NCC(c1cccs1)(O)C	PC-id_109908777	308.462	YYWZYGNUNVLSAV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067230
CC(CC(c1cccs1)O)NCc1sc2c(n1)CCC2	PC-id_109948792	308.462	DUCGGCCVXZOTBO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067231
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)(C)C(=S)N	PC-id_107160963	308.462	YJNBQZKMCFKCQA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067232
OCCn1/c(=N/C2CCc3c2scc3)/scc1C(C)C	SCHEMBL3983291,PC-id_25229645	308.462	XBCZKVWSJDKUGD-NXVVXOECSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067233
OCCn1c(=NC2CCc3c2scc3)scc1C(C)C	SCHEMBL3983294	308.462	XBCZKVWSJDKUGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067234
s1c2c(CCC2)cc1C(=O)N(C1CCCC1)CC(=S)N	PC-id_64475670	308.462	FIGVISCHRNZVPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067235
s1c2c(CCC2)cc1C(=O)NC1(CCCCC1)C(=S)N	PC-id_61119338	308.462	VMRCMXWOMCOPGO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067236
s1c2CCCc2nc1C(NCCOC)c1sccc1C	PC-id_62542089	308.462	BCNRBUAODASGFE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067237
s1c2CCCc2nc1C(NCCOC)c1sc(cc1)C	PC-id_62542090	308.462	GKSXUIKMXQVSCX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067238
CC(c1nnc(s1)CNCc1nc2c(s1)CCC2)(C)C	EMOLS-id_318044870,MCULE-5332169810	308.465	PWIFKHCVQDPLIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067239
CCCCCCCCCCCCCc1nn2CC(C[n+]2c1)O	PC-id_135021399	308.482	PKXMFLOCWYEWQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067240
OCCC1(CCCCC1)CNC(c1sc2c(n1)CCC2)C	PC-id_109908802	308.482	ZNKWOEWXRLSBIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067241
OCCC(C1CCCCC1)NC(c1sc2c(n1)CCC2)C	PC-id_109908806	308.482	LRWLKGMRUQCBCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067242
s1c2c(CCC2)cc1CNC(=O)CCC(CCC)CCN	PC-id_64347183	308.482	LJRJFHMHDZCMRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067243
s1c2c(CCC2)cc1CNC(=O)CCC(C(C)C)CCN	PC-id_64360028	308.482	CADOIXCHXSBTCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067244
s1c(nc2c1CCC2)C(NCCOC)(C1CCCCC1)C	PC-id_62541920	308.482	MRWBDNMKIVTMQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067245
s1c(nc2c1CCC2)C(NCCOC)C1CCC(CC1)C	PC-id_65905616	308.482	OJFDLVYOKFVYJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067246
s1c(nc2c1CCC2)C(NCCOC)C1CC(CCC1)C	PC-id_65923716	308.482	HKSYTZHJWUIHTF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067247
s1c(nc2c1CCC2)C(NCCOC)C1CCCCCC1	PC-id_65913269	308.482	IFEYYNPCWCYACY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-067248
s1c(nc2c1CCC2)C(NCCOC)CC1CCCCC1	PC-id_80400869	308.482	TWHNFLSXIZFQGZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067249
CC(N1CCC(CC1)NCCc1nc2n(c1)CCS2)(C)C	MCULE-3054312862,EMOLS-id_318139897	308.485	JCKLKVOXJFKZQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067250
C[Si]1(CCCCN1CCCn1c(c2CCCc2c1O)O)C	PC-id_90957966	308.491	CNYYSJOOIKSYJY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067251
[Tl]C1c2n(C=C1)ccc2	PC-id_86202884	308.513	UVAQYSQCHJUFEF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-067252
CC(CC(c1sc2c(n1)CCC2)(NC(C)C)CC(C)C)C	PC-id_114868571	308.525	ASHPXLKAONRKLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067253
CCCCCCCCCC(c1sc2c(n1)CCC2)NCC	PC-id_108410847	308.525	LMYIDVMNYDDDJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067254
CCCCCCCCCCC(c1sc2c(c1)CCC2)NN	PC-id_105298347	308.525	GWFPFGUDPYQVRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067255
CCCNC(c1sc2c(n1)CCC2)(CC(C)C)CC(C)C	PC-id_114868565	308.525	LXHZEHUKJIPYDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067256
s1c(nc2c1CCC2)C(NC(C)C)(CCCCCCC)C	PC-id_63405397	308.525	RPSOWJBFVVPBJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067257
s1c(nc2c1CCC2)C(NCCC)(CCCCCCC)C	PC-id_63405698	308.525	BJVUYKAWUFUXJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067258
S=c1n(c2CC(Cc2n1CC(C)(C)C)(C)C)CC(C)(C)C	PC-id_13946885	308.525	OBDWAMQBZHGTMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067259
O=C(N1Cc2c(C1=O)cco2)NCc1occc1C(=O)Cl	PC-id_101543229	308.674	ZJOYHAZCJVSAFI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-067260
Clc1cc(C)c(c(c1)[N+](=O)[O-])NCC1Oc2n(C1)ccn2	PC-id_141088107	308.72	BKZITRLZMASKJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067261
COC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl	SCHEMBL19583603	308.72	WYBAYXWPQMYAAP-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-067262
COC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccnc(c1)Cl	SCHEMBL19583848	308.72	LIWXUQZQCAQZPE-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-067263
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2Cl)F)n1	EMOLS-id_330986226,MCULE-6249772827	308.735	FXMXPGYMDSLUEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067264
c1(C(=O)O)c2C(C)CCc2n(Cc2c(cccc2F)Cl)n1	EMOLS-id_330985970,MCULE-4914169119	308.735	GIQFVGXZUNUOFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067265
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2F)Cl)n1	EMOLS-id_330989298,MCULE-8632074419	308.735	UHSFFQPWIDJZCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067266
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)F)n1	EMOLS-id_330988530,MCULE-2456041180	308.735	HNBFGNNGRRXETQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067267
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(Cl)c2F)n1	EMOLS-id_330988786,MCULE-1249153161	308.735	VYISFEUESYRXKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067268
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(F)c2Cl)n1	EMOLS-id_330986738,MCULE-7462659088	308.735	ULWSDJMLSDMSRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067269
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(F)c2)Cl)n1	EMOLS-id_330986739,MCULE-2644123782	308.735	HNBBELYYLRQWTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067270
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(Cl)cc(F)c2)n1	EMOLS-id_330989042,MCULE-3047503537	308.735	UMXLIHIXTALSFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067271
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)ccc2Cl)n1	MCULE-9150761549,EMOLS-id_330986482	308.735	MTDWPBLGGSRNQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067272
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1Cl)F	MCULE-5693306046,EMOLS-id_330965182	308.735	ZBBUJIIOMWBPRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067273
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1F)Cl	MCULE-1263851264,EMOLS-id_330968254	308.735	QEKNSXMJOGYUAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067274
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(Cl)c1F	MCULE-1267701672,EMOLS-id_330967742	308.735	GDPJFPPWVQBYQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067275
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)F	MCULE-7203717984,EMOLS-id_330967486	308.735	KFCMXGYATUYJLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067276
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(F)c1)Cl	EMOLS-id_330965695,MCULE-1861666991	308.735	ZKTBTQSCAXJJKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067277
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(F)c1Cl	MCULE-3755257819,EMOLS-id_330965694	308.735	OLPYHUGFRMTVTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067278
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(Cl)cc(F)c1	MCULE-9690247671,EMOLS-id_330967998	308.735	OHGVOQQZIWFZDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067279
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)ccc1Cl	MCULE-3349277390,EMOLS-id_330965438	308.735	ZZSZKVVABQTKNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067280
CC1CCc2nn(Cc3c(F)cccc3Cl)c(C(=O)O)c12	MCULE-1659729661,EMOLS-id_330969021	308.735	KCFSLXUFMZHERQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067281
CC(c1nnc2n1CCC2)NC(=O)c1cccc(c1Cl)F	EMOLS-id_318716830	308.739	FFCFSAOQWAUVQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067282
CC(c1nnc2n1CCC2)NC(=O)c1cccc(c1F)Cl	EMOLS-id_318648078	308.739	GTCYJCYCGHIHFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067283
CC(C(=O)Nc1c(cc(cc1)F)Cl)N1CCn2c1ncc2	MCULE-8189708035,EMOLS-id_316981918,PC-id_136563295	308.739	KTZGJHLFXJUYGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067284
C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCn2ccnc12	ZINC22_931523934	308.739	KTZGJHLFXJUYGE-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067285
C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCn2ccnc12	ZINC22_931523936	308.739	KTZGJHLFXJUYGE-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-067286
C[C@H](NC(=O)c1ccc(Cl)cc1F)c1nnc2n1CCC2	PC-id_94024423,ZINC22_44934522	308.739	QIMWCTVJVTZTAY-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067287
C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1nnc2n1CCC2	PC-id_94024424,ZINC22_44934525	308.739	QIMWCTVJVTZTAY-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067288
C[C@H](NC(=O)c1ccc(F)cc1Cl)c1nnc2n1CCC2	CoCoCo_4879922,ZINC22_40522705,PC-id_93615673	308.739	NCWULXMPFDIXAA-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067289
C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1nnc2n1CCC2	PC-id_93615674,CoCoCo_4879923,ZINC22_40522708	308.739	NCWULXMPFDIXAA-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067290
C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1nnc2n1CCC2	CoCoCo_4622721,PC-id_93602149,ZINC22_40429861	308.739	QGWYLEOVDFCLBT-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067291
C[C@H](NC(=O)c1cc(Cl)ccc1F)c1nnc2n1CCC2	ZINC22_40429859,CoCoCo_4622722,PC-id_93602148	308.739	QGWYLEOVDFCLBT-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067292
Clc1ccc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)F	EMOLS-id_31875230,PC-id_45804919,MCULE-2860022942	308.739	QGWYLEOVDFCLBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067293
Clc1ccc(c(c1)F)C(=O)NC(c1nnc2n1CCC2)C	PC-id_45819117,MCULE-7112623011,EMOLS-id_31936142	308.739	QIMWCTVJVTZTAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067294
Clc1cc(C(=O)N(Cc2n3CCCc3nn2)C)c(F)cc1	PC-id_60707668	308.739	AGDOQKRCKBOZDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067295
Clc1cc(F)c(c(c1)C(=O)NCc1cnc2n1CCC2)N	EMOLS-id_319705514	308.739	OEUPMTVAGKHHBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067296
Clc1c(C(=O)NC(c2n3CCCc3nn2)C)ccc(F)c1	MCULE-7250560142,EMOLS-id_31936118,PC-id_45819106	308.739	NCWULXMPFDIXAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067297
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)c(F)ccc1	PC-id_60360985	308.739	YLPVWCDFYAYZOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067298
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)Cl	EMOLS-id_318458363	308.739	HEVCQMFBIDIIEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067299
Fc1cc(Cl)cc(c1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318707690	308.739	JZJYLDZYJGHUQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067300
O=C(c1ccc(c(c1)Cl)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318671057	308.739	UUUZAEGWFRXZNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067301
O=C(c1ccc(c(c1F)Cl)C)NCc1nnc2n1CCC2	EMOLS-id_318443660	308.739	WNCYZQVYJICAMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067302
O=C(c1ccc(c(c1)F)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318609746	308.739	GYBXKRPQGZXNRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067303
O=C(c1c(F)cccc1Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318672461	308.739	ZYNXOMNTICEUMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067304
O=C(Cc1ccc(cc1Cl)F)NCc1nnc2n1CCC2	EMOLS-id_318618172	308.739	LHBSQAPBGIKDOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067305
O=C(C(N1CCn2c1ncc2)C)Nc1cc(Cl)ccc1F	EMOLS-id_318433708	308.739	REBLNTLVMIFMMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067306
C1(=Nc2n(C1=O)ccc2)CS(=O)(=O)c1ccc(cc1)Cl	EMOLS-id_27655924,MCULE-5434824715,CoCoCo_6675997,ZINC22_32611927,PC-id_39855483	308.74	GBTJKIUYTPLACH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-067307
Clc1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1	EMOLS-id_2002610,CHEMBL243651,ChEMBL-DNDi_CHEMBL7776670,MCULE-3716361739,PC-id_2953371,Chemmine_17376	308.743	OEXSWCFRUVZCEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067308
O=C(C[C@H]1Sc2ncnn2C1=O)Nc1ccc(Cl)cc1	ZINC22_4304715,CoCoCo_5922034,PC-id_7178673	308.743	OEXSWCFRUVZCEN-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067309
O=C(C[C@@H]1Sc2ncnn2C1=O)Nc1ccc(Cl)cc1	ZINC22_4304720,PC-id_7178675,CoCoCo_5922033	308.743	OEXSWCFRUVZCEN-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-067310
Cc1noc(Cl)c1CCC(=Nc1c2c(nn1C)CCC2)O	ZINC22_329214121,EMOLS-id_98809873,MCULE-1097870179	308.763	KQEWIMFEYNICTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067311
COc1cc(Cl)c(cc1NC1CC(n2c1ncn2)C)OC	EMOLS-id_318465651,MCULE-3694952844	308.763	OTMCCNVCHFNULS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067312
COc1cc(NC2CC(n3c2ncn3)C)cc(c1Cl)OC	MCULE-7411710106,EMOLS-id_318639777	308.763	WLAQZRZJAFSXTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067313
COc1cc(OC)c(c(c1)NC1CC(n2c1ncn2)C)Cl	MCULE-9592473466,EMOLS-id_318640177	308.763	STUBBEMIUMRNSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067314
Cc1nn(C)c(Cl)c1C(=O)NCCc1nnc2n1CCC2	EMOLS-id_35706200,MCULE-6387328076,PC-id_53514340,ZINC22_65553405	308.767	FPGJVNMXPZJPJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067315
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)OCCF	MCULE-8952233884,EMOLS-id_330977266	308.778	WICNYIQYOHEHLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067316
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(Cl)c12	MCULE-1520390234,EMOLS-id_331019695	308.778	ASZJVVORXTTXFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067317
CCOc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1F	MCULE-9520808038,EMOLS-id_331019439	308.778	LZNMSLABZOIIBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067318
CCOc1ccc(Cn2nc3CCC(C)c3c2Cl)c(F)c1	EMOLS-id_331019951,MCULE-4806206765	308.778	CHIWOKNEIVIXPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067319
CCOc1ccc(Cn2nc(Cl)c3C(C)CCc23)cc1F	EMOLS-id_330977010,MCULE-1989557368	308.778	QWMLYQGOPQVXRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067320
CCOc1ccc(Cn2nc(Cl)c3C(C)CCc23)c(F)c1	EMOLS-id_330973427,MCULE-5524533311	308.778	QXQKJGVYPKNEGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067321
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1Cl	MCULE-6261567059,EMOLS-id_330959030	308.778	PIQKITGJAXUONS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067322
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1Cl	MCULE-8112536682,EMOLS-id_330957241	308.778	BPCHSHYQXFNCAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067323
COc1cccc(C(C)n2nc3CCC(C)c3c2Cl)c1F	MCULE-7313866394,EMOLS-id_330957753	308.778	DAVQJNBNTRTAFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067324
COc1cccc(Cn2nc3CCC(C)c3c2CCl)c1F	MCULE-7318176309,EMOLS-id_331006900	308.778	HRVRESOLUNAEOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067325
COc1ccc(C(C)n2nc3CCC(C)c3c2Cl)c(F)c1	EMOLS-id_330958774,MCULE-4523687938	308.778	CAZCNXZTGIAOJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067326
COc1cccc(Cn2nc(CCl)c3C(C)CCc23)c1F	MCULE-6486826480,EMOLS-id_331022858	308.778	AZZUOYXYGSRDJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067327
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1Cl	MCULE-4274102663,EMOLS-id_330958266	308.778	XPKGTGARTLSTEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067328
COc1cccc(F)c1Cn1nc2CCC(C)c2c1CCl	MCULE-9490782477,EMOLS-id_331006134	308.778	CEIQAOZUMGGTSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067329
COc1cccc(F)c1Cn1nc(CCl)c2C(C)CCc12	MCULE-5512724580,EMOLS-id_331026187	308.778	YGGYWVFWANOWIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067330
COc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1F	MCULE-4044473842,EMOLS-id_331008436	308.778	OWGBZXLDMIDHGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067331
COc1ccc(Cn2nc3CCC(C)c3c2CCl)c(F)c1	EMOLS-id_331008692,MCULE-5673931837	308.778	GDJQDXQABIITHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067332
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1F	EMOLS-id_331024394,MCULE-6571953364	308.778	YZSXTZDBVXRXSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067333
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)c(F)c1	MCULE-1838088649,EMOLS-id_331024650	308.778	GTUVNNFVSVKOIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067334
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958010,MCULE-7200192632	308.778	OLPMLWGOALCNGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067335
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331009973,MCULE-9088681293	308.778	AWTHBJVIZOJGRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067336
COc1ccc(F)cc1Cn1nc(CCl)c2C(C)CCc12	MCULE-1419572311,EMOLS-id_331025931	308.778	BJMSLMXHSAGLDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067337
COc1ccc(F)c(Cn2nc3CCC(C)c3c2CCl)c1	EMOLS-id_331006644,MCULE-2640017186	308.778	VLZKTDKAIPLXPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067338
COc1ccc(F)c(Cn2nc(CCl)c3C(C)CCc23)c1	EMOLS-id_331022602,MCULE-8580051213	308.778	PDWITLNCKCWPRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067339
COc1cc(Cn2nc3CCC(C)c3c2CCl)ccc1F	EMOLS-id_331007156,MCULE-1922395015	308.778	VQDCZOROFQHLHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067340
COc1cc(Cn2nc(CCl)c3C(C)CCc23)ccc1F	EMOLS-id_331023114,MCULE-4374524598	308.778	YQURKIRAKYHJFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067341
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330957497,MCULE-7920822042	308.778	ITAOAMZAFCEFMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067342
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960311,MCULE-8533425356	308.778	FDLFRVGTXQZMMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067343
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331006390,MCULE-3247585499	308.778	MVFRLCYRBYFNMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067344
COc1cc(F)ccc1Cn1nc(CCl)c2C(C)CCc12	EMOLS-id_331022348,MCULE-2724935291	308.778	YAZZIWYTJPJELW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067345
COc1cc(F)cc(Cn2nc3CCC(C)c3c2CCl)c1	EMOLS-id_331007412,MCULE-5629609973	308.778	QTGPLZBRGFEXGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067346
COc1cc(F)cc(Cn2nc(CCl)c3C(C)CCc23)c1	EMOLS-id_331023370,MCULE-9623351854	308.778	OONHGUHKOXQDBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067347
COc1c(F)cccc1Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331006646,MCULE-3759346527	308.778	LHQXNQVCDCGSEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067348
COc1c(F)cccc1Cn1nc(CCl)c2C(C)CCc12	EMOLS-id_331022604,MCULE-4990989997	308.778	PJYXTNSFXBSESC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067349
Cc1cc(F)c(c(c1)Cl)CNC(c1nnc2n1CCC2)C	EMOLS-id_318499708,MCULE-6619480039	308.782	CKBCSKLEOMATJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067350
Clc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1F	PC-id_43748044	308.782	RQZRLTDTKGFHRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067351
Clc1c(C(NC(c2n3CCCc3nn2)C)C)ccc(F)c1	PC-id_43791510	308.782	KCFYEGBCWNDWRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067352
Clc1c(F)cc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_83059166	308.782	FDNMGGBJQHIKFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067353
c1(NC(=O)COc2ccccc2Cl)sc2c(CCC2)n1	MCULE-6850111110,EMOLS-id_181474210,PC-id_26723140	308.783	JYOROVZOMYDPDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067354
c1(sc2c(CCC2)n1)NC(=O)c1cc(Cl)ccc1OC	MCULE-1448846884,EMOLS-id_334661331,PC-id_3363249	308.783	AJVMNVXQLDXXFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067355
CC1c2c(CO1)sc(c2C(=O)Nc1ccc(cc1)Cl)N	SCHEMBL20339216,PC-id_135187188	308.783	ROJNVTLKVVIZLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067356
Cc1ccc(c(c1)NC1CCc2c1cc(s2)Cl)[N+](=O)[O-]	PC-id_115912353	308.783	XPTKBIUUQIGZRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067357
Clc1ccc(c(c1)NCc1sc2c(c1)CCC2)[N+](=O)[O-]	PC-id_115469621	308.783	DIUAEKLUNYTCME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067358
Clc1ccc(OCC(=O)Nc2nc3CCCc3s2)cc1	CoCoCo_4164064,PC-id_3502685,ZINC22_6526846,MCULE-5323923002,EMOLS-id_21277678	308.783	YZRYYNAQOVECIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067359
Clc1cc([N+](=O)[O-])c(NCc2sc3CCCc3c2)cc1	PC-id_63540542	308.783	DXXADLBLYKFXDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067360
Clc1c(NCc2sc3CCCc3c2)ccc([N+](=O)[O-])c1	PC-id_61208382	308.783	YVYUHOGRJKCMRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067361
Clc1c(NCc2sc3c(CCC3)c2)c([N+](=O)[O-])ccc1	PC-id_63540390	308.783	LGKLKSOMDBJKOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067362
Clc1sc2CCC(Nc3c(ccc([N+](=O)[O-])c3)C)c2c1	PC-id_81234539	308.783	WKDLVPDDWIPOBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067363
Clc1sc2CCC(Nc3c(cc([N+](=O)[O-])cc3)C)c2c1	PC-id_81234936	308.783	ABWGIDHRGNBEFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067364
Clc1sc2CCC(Nc3cc(c([N+](=O)[O-])cc3)C)c2c1	PC-id_81246644	308.783	YROKWCCNGYCXSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067365
Clc1sc2CCC(Nc3cc([N+](=O)[O-])c(cc3)C)c2c1	PC-id_81234674	308.783	SITOGUIDNPXVSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067366
Clc1sc2CCC(Nc3c(c([N+](=O)[O-])ccc3)C)c2c1	PC-id_81234935	308.783	SREHLASETQLSGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067367
Clc1sc2CCC(Nc3c([N+](=O)[O-])cc(cc3)C)c2c1	PC-id_81234540	308.783	XNDXQTYFLPCUID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067368
Clc1sc2c(C(NCc3ccc([N+](=O)[O-])cc3)CC2)c1	PC-id_81234129	308.783	DQYZGLXUQXSIIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067369
Clc1sc2c(C(NCc3cc([N+](=O)[O-])ccc3)CC2)c1	PC-id_81247233	308.783	NJRWGQQCQMIHPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067370
Clc1sc2c(C(NCc3c([N+](=O)[O-])cccc3)CC2)c1	PC-id_81246936	308.783	BJELFXJMQFVSAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067371
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1C)Cl	PC-id_104287514	308.783	ICYAPEPXGJWSJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067372
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)Cl)C	PC-id_104287492	308.783	CWMNIXBBEWAUCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067373
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Cl)C	PC-id_104287690	308.783	AEHVRCMEIWYQIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067374
OC(=O)C1CCc2c1nc(s2)Nc1c(C)cccc1Cl	PC-id_104289034	308.783	KOALYDOWTOERIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067375
OC(=O)C1CCc2c1nc(s2)Nc1cc(C)ccc1Cl	PC-id_107638514	308.783	XAZQVIMEJHMOSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067376
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)ccc1C	PC-id_104287682	308.783	GANCGOKKXNRZCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067377
OC(=O)C1CCc2c1nc(s2)NCc1ccc(cc1)Cl	PC-id_104287420	308.783	NPSODJQIMFBVBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067378
OC(=O)C1CCc2c1nc(s2)NCc1ccccc1Cl	PC-id_104287538	308.783	ORIZFOUKHKESNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067379
OC(=O)C1CCc2c1nc(s2)NCc1cccc(c1)Cl	PC-id_104288580	308.783	IJCVPSOBGZVZIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067380
[O-][N+](=O)c1c(cccc1Cl)NCc1sc2c(c1)CCC2	PC-id_104835789	308.783	NBRDSAZWUJUYAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067381
c12CN(Cc1sc(N)n2)CC(=O)Nc1ccc(cc1)Cl	MCULE-3665994558,PC-id_82194334	308.787	RFPPJDHUFBZEFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067382
Clc1ccc(cn1)CNc1nc2n(c1C(=O)C)CCS2	PC-id_139835820	308.787	KPVXDUBPXROBJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067383
Clc1c(CCC(=O)Nc2n3CCSc3nn2)cccc1	PC-id_73293052	308.787	IGUUHDRIMHCZGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067384
Clc1ccc(NC(=O)CSc2nnc3CCCn23)cc1	CoCoCo_5792111,MCULE-2977613218,ZINC22_26441864,PC-id_33699055,EMOLS-id_15729919	308.787	KIIFVUHFJPYTBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067385
Clc1cc(C(=O)Nc2sc3CCCc3n2)cnc1NC	PC-id_62178799	308.787	SSXVUINFDYEHNA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067386
Clc1cc(C(=O)Nc2sc3CCCc3n2)c(NN)cc1	PC-id_62242712	308.787	RIUMJLIVRQUITF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067387
Clc1cc(NC(=O)CN2Cc3sc(nc3C2)N)ccc1	PC-id_82194313	308.787	CPKWDEKLZMSTKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067388
Clc1c(nc(NC)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_62176502	308.787	VOHHAHLMQMRICQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067389
Clc1c(NC(=O)CN2Cc3sc(nc3C2)N)cccc1	PC-id_82194323	308.787	ODZDZKUOOMODME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067390
Clc1nc(NC)cc(C(=O)Nc2sc3CCCc3n2)c1	PC-id_62176504	308.787	PRKQSGXFBYWDBR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067391
ClC(=CC1Sc2n(N1)c(nn2)C)c1ccc(OC)cc1	PC-id_10828654	308.787	CMXYLOLUDZDGFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067392
CNc1ncc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_114923046	308.787	DJYZFPVJBGSLLD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067393
n1c2CCCn2nc1SCC(=O)Nc1ccc(cc1)Cl	CoCoCo_6600756,CoCoCo_6600757,MCULE-5757036292,ZINC22_28527304,PC-id_16458590	308.787	OQMXQKBKYSKWLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067394
Nc1cc(Cl)c(c(c1)C(=O)N)Nc1sc2c(n1)CCC2	PC-id_107195145	308.787	CWTAQHSDNDOOPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067395
Clc1ccc(C[NH+]2Cc3c(sc(c3)C(=O)OC)C2)cc1	PC-id_3424696	308.803	XIEINBARWBIDOH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-067396
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C#N	CoCoCo_6814984,GD-id_ZINC00267224,MCULE-6037971625,TIMTEC444212,EMOLS-id_3996280,ZINC22_267224,PC-id_3468076	308.806	SDHZEJIVWNQBMX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-067397
ClC(c1sc2c(CCC2)c1)c1cc(OC)c(OC)cc1	PC-id_61083103	308.823	LTAPIMKJFNRIKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067398
ClC(c1sc2c(CCC2)c1)c1c(OC)ccc(OC)c1	PC-id_61085739	308.823	YGRRNHMRVZLQAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067399
ClC(c1sc2c(CCC2)c1)c1c(OC)cc(OC)cc1	PC-id_61086593	308.823	NLTMNBXANOHISY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067400
COc1ccc(cc1CC(c1sc2c(c1)CCC2)O)Cl	PC-id_115788603	308.823	ZYGSQZYMKCKUKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067401
CCc1nn(c(c1Cl)CC(=O)c1sc2c(c1)CCC2)C	PC-id_114980518	308.826	HFGVXSYVZWJFRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067402
CCn1nc(c(c1CC(=O)c1sc2c(c1)CCC2)Cl)C	PC-id_114980665	308.826	ZVUYTRSTUCHKRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067403
ClC1c2[nH]c(NCCc3c(OC)cccc3)cc2SC1	PC-id_9836262	308.826	RMOWSXBXBSRSQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067404
ClC1c2[nH]c(NCCCOc3ccccc3)cc2SC1	PC-id_9901231	308.826	LZZNVEZXAMZACT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067405
Clc1cc(C(NC)c2sc3CCCc3n2)ccc1OC	PC-id_65026917	308.826	WOVWGUNLGRDBSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067406
Clc1sc2CCC(Nc3cn(CCC)c(=O)cc3)c2c1	PC-id_81252066	308.826	USQYYZZHABPTJC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067407
Clc1sc2CCC(Nc3c(OC(C)C)nccc3)c2c1	PC-id_81252399	308.826	JKINLYFLYJPVHL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067408
COc1ccc(cc1C(c1sc2c(c1)CCC2)NN)Cl	PC-id_105300860	308.826	ILKRHAWLNZULRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067409
COc1cccc(c1C(c1sc2c(n1)CCC2)NC)Cl	PC-id_104816941	308.826	KXKLYQGCXUEHBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067410
COc1ccc(cc1)CSC1CCn2c1cnc2CCl	PC-id_139819162	308.826	YPWUBKFKQYAAJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067411
COc1cc(CNC2CCc3c2cc(s3)Cl)nc(c1)C	EMOLS-id_316846046,MCULE-2833351170	308.826	KRQCLAQLGQRDFC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067412
COc1cc(C)nc(CN[C@@H]2CCc3sc(Cl)cc23)c1	ZINC22_574964549	308.826	KRQCLAQLGQRDFC-CYBMUJFWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067413
NNC(c1ccc(c(c1)OC)Cl)c1sc2c(c1)CCC2	PC-id_105320768	308.826	HWQGGCZDOMIZOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067414
OC(c1ccccc1Cl)CNCc1sc2c(n1)CCC2	PC-id_109948632	308.826	WBUSGAGBOZXDBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067415
OCc1ccc(c(c1)NC(c1sc2c(n1)CCC2)C)Cl	PC-id_110017343	308.826	QWMJONXJRNJGSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067416
OCC(c1ccc(cc1)Cl)NCc1sc2c(n1)CCC2	PC-id_109948799	308.826	WPRQBPIEXDCNFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067417
Clc1sc2c(C(NC(c3n4CCCc4nn3)C)CC2)c1	PC-id_81235605	308.83	FXPASSUAZJHXCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067418
CC(C)(C)C(CN1Cc2c(S1(=O)=O)ccs2)NCl	PC-id_89133556	308.848	UPDJMAUEDRFKBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067419
CCNS(=O)(=O)CCNC1CCc2c1cc(s2)Cl	PC-id_113348493	308.848	OFTXCXLUEGLKFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067420
Clc1cc2c(s1)CCC2NCCCNS(=O)(=O)C	PC-id_106333001	308.848	CVSLCDZSFRNHLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067421
ClN[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL13632859	308.848	UPDJMAUEDRFKBQ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067422
CN(S(=O)(=O)CCNC1CCc2c1cc(s2)Cl)C	PC-id_106335286	308.848	SNLLPFKGKKEKQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067423
[Te]1C(N(c2sccc12)CC)CCC	PC-id_86151472	308.898	FERNSRXHQFZEIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067424
C1=CC(=NO)c2c(sc(c12)Br)Br	PC-id_88003898,SCHEMBL6520857	308.978	GEHQJOFNIHJOAW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-067425
CC1(CC2=NSC(=NC)N2C1)CI	PC-id_163853401	308.98	OWHCVTCPUYVPHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067426
C1[C@@H]2N(C1=O)C(=C(S2)SC3CC4=CN=CN4C3)C(=O)O	PC-id_149962098	309.024	CTMBEBBBMZDGCQ-NHSZFOGYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-067427
c12CN(Cc1sc(I)c2C(=O)O)C	EMOLS-id_331063338,MCULE-4659695138	309.124	FHURLFDYZBCWQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067428
c1(C(=O)NC)c2COCc2sc1I	EMOLS-id_331066401,MCULE-1368779598	309.124	RTYNFTYFIVXYIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067429
c1(C(=O)OC)c2CNCc2sc1I	MCULE-3676153748,EMOLS-id_331065134	309.124	OKAYDPJMAZTLSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067430
c1(C(=O)O)sc2CN(Cc2c1I)C	EMOLS-id_330872391,MCULE-4021397759	309.124	JEMZHUSENGIPEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067431
COC(=O)c1sc2CNCc2c1I	EMOLS-id_330019074	309.124	ZQHCXMIXVLNIEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067432
CN1C2=C(CN(C2)C(=O)CC3=CC=C(C=C3)N4C=NN=N4)C=N1	EMOLS-id_317288951,PC-id_154743664,MCULE-7562681813	309.134	GTQJGSKAYPNTNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067433
CC(=O)CN1C2=C(CCC2)C(=N1)C(=O)N3CCC(C(C3)F)O	PC-id_153600277	309.149	SGBDTEDXHBXNOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067434
CC1(CCN(CC1)CC(=O)NC2=NC3=C(S2)CCC3)CO	PC-id_154736995	309.151	FUFMPVVYGHTOFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067435
Cc1nn2c(nc(n2)C)/c/1=Cc1cc(c(c(c1)Cl)O)Cl	PC-id_136034567	309.151	RWCYMUWZUOMSOO-OQFOIZHKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067436
Cc1nn2c(nc(n2)C)c1=Cc1cc(c(c(c1)Cl)O)Cl	PC-id_136655408	309.151	RWCYMUWZUOMSOO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067437
CCC1(CCN(CC1)CC(=O)NC2=NC3=C(S2)CCC3)O	PC-id_154805412	309.151	OFGQHOGWTOOWKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067438
Brc1ccc(nn1)NC(c1nnc2n1CCC2)C	MCULE-8790330805,EMOLS-id_318488357	309.165	WFIMNPYBSKUPTN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-067439
Brc1cnc(cn1)NC(c1nnc2n1CCC2)C	MCULE-1003717529,EMOLS-id_318507718	309.165	NYRFWLKVUOZYKN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-067440
Brc1cnc(nc1C)NCc1nnc2n1CCC2	EMOLS-id_318466928,MCULE-4816814541	309.165	CJUDTEHLLCVPGD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-067441
Brc1cnc(nc1)NC(c1nnc2n1CCC2)C	MCULE-3692832400,EMOLS-id_318037100	309.165	YKOHTCILGFCEMB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-067442
Cc1ncnc(c1Br)NCc1nnc2n1CCC2	EMOLS-id_318446851,MCULE-9026921884	309.165	QZYWVKRJPBERRY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-067443
CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)OC(C)(C)C)C=N1	PC-id_153901286	309.169	OGIOAVNVBNTWSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067444
CCOC(=O)N1C(=C2C(N(CC2=N1)C(=O)OC(C)(C)C)C)C	PC-id_154512110	309.169	CVHWNJCMEBPUGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067445
Clc1n2C(=NOC(=O)NC)C(Sc2nc1Cl)(C)C	SCHEMBL11185975,PC-id_54161287	309.172	OOOQLJUMPAGFAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067446
CC1=C(C2=C(C1)C(=C(N2C)C(=C3C(=O)C(=C(C3=O)C)C)C)C)C	PC-id_161336174	309.173	VMBGDAGHSIIQHQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-067447
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)F	EMOLS-id_330967801,MCULE-5773168761	309.177	NUYLWEIZPOVFJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067448
c12C(C)CCc1nn(Cc1cc(Br)ccc1F)c2	EMOLS-id_330997929,MCULE-7696685825	309.177	NKYOHIGLMVDGSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067449
c12C(C)CCc1nn(Cc1cc(Br)cc(F)c1)c2	MCULE-5625629692,EMOLS-id_330998441	309.177	LLCNXHWXTZGPRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067450
c12C(C)CCc1nn(Cc1cccc(Br)c1F)c2	MCULE-1130993462,EMOLS-id_330998185	309.177	PVKKEXYCWOPWHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067451
c12C(C)CCc1nn(Cc1ccc(c(Br)c1)F)c2	MCULE-5265293890,EMOLS-id_331001768	309.177	JXZWHGSUMIUUBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067452
c12C(C)CCc1nn(Cc1ccc(cc1Br)F)c2	MCULE-4488329716,EMOLS-id_330999721	309.177	OAPZEOMUWWPYSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067453
c12C(C)CCc1nn(Cc1ccc(cc1F)Br)c2	MCULE-2990932693,EMOLS-id_331000488	309.177	JSJSIOMPEAJLFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067454
c12C(C)CCc1nn(Cc1c(cccc1F)Br)c2	MCULE-9404154961,EMOLS-id_330999977	309.177	VXYIWJBJAQWCEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067455
c12C(C)CCc1nn(Cc1cccc(F)c1Br)c2	EMOLS-id_331000233,MCULE-6326873238	309.177	KEPQPKASXJDTRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067456
c12C(C)CCc1nn(Cc1ccc(c(F)c1)Br)c2	MCULE-3795108712,EMOLS-id_331000744	309.177	KBZITZFXKLJAPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067457
CC1CCc2c1c(Br)nn2Cc1ccccc1F	EMOLS-id_330966266,MCULE-2851961164	309.177	GOYLCYTZQYFQBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067458
CC1CCc2c1c(Br)nn2Cc1cccc(F)c1	MCULE-5357199190,EMOLS-id_330968826	309.177	WCUIPPCSZHLUCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067459
CC1CCc2c1cnn2Cc1cc(Br)ccc1F	EMOLS-id_331016171,MCULE-4826891554	309.177	IRYYCBHHCFJBPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067460
CC1CCc2c1cnn2Cc1ccc(Br)cc1F	EMOLS-id_331014635,MCULE-8036826772	309.177	GOTPPDLIDKFFNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067461
CC1CCc2c1cnn2Cc1ccc(Br)c(F)c1	MCULE-6954849757,EMOLS-id_331014891	309.177	UJDUYKDQXHBNGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067462
CC1CCc2c1cnn2Cc1cccc(Br)c1F	EMOLS-id_331016427,MCULE-5799594125	309.177	RNKXPTWPVIDWNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067463
CC1CCc2c1cnn2Cc1cccc(F)c1Br	EMOLS-id_331014380,MCULE-1638250480	309.177	JNPNFPHYZHOLPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067464
CC1CCc2c1cnn2Cc1ccc(F)c(Br)c1	EMOLS-id_331015915,MCULE-2996737779	309.177	GHMOZESFDHFKBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067465
CC1CCc2c1cnn2Cc1ccc(F)cc1Br	MCULE-2720824328,EMOLS-id_331017963	309.177	IWHHVAMMYMSJCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067466
CC1CCc2c1cnn2Cc1cc(F)cc(Br)c1	MCULE-9615091096,EMOLS-id_331016683	309.177	INIPTVXQZFPACV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067467
CC1CCc2c1cnn2Cc1c(F)cccc1Br	MCULE-9609167561,EMOLS-id_331018219	309.177	GEJLVCRXEYGWAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067468
CC1CCc2nn(Cc3ccccc3F)c(Br)c12	EMOLS-id_331017894,MCULE-5329881702	309.177	FJLWTEWOKFUKBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067469
CC1CCc2nn(Cc3cccc(F)c3)c(Br)c12	EMOLS-id_331016359,MCULE-4331314129	309.177	YJRWEERQBXNRLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067470
CC1CCc2nn(Cc3ccc(F)cc3)c(Br)c12	MCULE-7699783852,EMOLS-id_331015334	309.177	QWURJJJRLFMGGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067471
Brc1cc2c(s1)C(=O)N(C2)Cc1ccccn1	PC-id_140122556	309.182	FUWVUGPIKKZDQX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067472
Brc1cc2c(s1)C(=O)N(C2)Cc1cccnc1	PC-id_140122538	309.182	HVYJGECHRZBYRM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067473
Brc1cc2c(s1)C(=O)N(C2)Cc1ccncc1	PC-id_140122551	309.182	IKZSYDCDBDNHIN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067474
Brc1ccc(C(=O)c2n3CCSc3nc2)cc1	PC-id_11426837	309.182	TXZHQGOQAJZUPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067475
Brc1sc2c(c1)C(=O)N(C2)Cc1ccccn1	PC-id_140122558	309.182	ZQCDGDDWUQNJQH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067476
Brc1sc2c(c1)C(=O)N(C2)Cc1cccnc1	PC-id_140122516	309.182	AITYGWYZFCCFQZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067477
BrCS(=O)(=O)N(Cc1n2CCCc2nn1)C	EMOLS-id_314433461,PC-id_83084528	309.183	CAKNXNUVYRHVTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067478
BrCS(=O)(=O)NC(c1n2CCCc2nn1)C	PC-id_83084535,EMOLS-id_315813193	309.183	QDMRHEKMNHADQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067479
Clc1sc2CCC(Nc3cc(ccc3Cl)C#N)c2c1	PC-id_81252415	309.214	RITDNCCIRQAFJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067480
Clc1sc2CCC(Nc3c(ccc(Cl)c3)C#N)c2c1	PC-id_81251507	309.214	CVXCNQYMYFRXBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067481
Clc1sc2CCC(Nc3cc(c(Cl)cc3)C#N)c2c1	PC-id_81252580	309.214	INKIQZFDCFQNOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067482
Clc1sc2CCC(Nc3cc(Cl)c(cc3)C#N)c2c1	PC-id_81251945	309.214	PHUCWNQQVXKGOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067483
N#Cc1ccc(c(c1)Cl)NC1CCc2c1cc(s2)Cl	PC-id_107807309	309.214	WSWHJYLKOKMHGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067484
Brc1ccc(C(O)c2sc3c(CCC3)c2)cc1	PC-id_61101401	309.221	LXAOUGGMTVFLEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067485
Brc1cccc(c1)CC1CCc2c1nc(s2)N	SCHEMBL18367808	309.225	RNOVMTTYJYQZKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067486
Brc1cccc(n1)NCc1sc2c(c1)CCC2	PC-id_106194074	309.225	STARCPZJVVUHPI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067487
Brc1ccc(C(N)c2sc3CCCc3n2)cc1	PC-id_61330698	309.225	KQOIRWRMBWZBDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067488
Brc1ccc(nc1)CNC1CCc2c1scc2	MCULE-7794286206,EMOLS-id_318532994	309.225	ASOGYHSRXFBEMJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067489
Brc1cccnc1NCc1sc2c(c1)CCC2	EMOLS-id_38263793,PC-id_61374654	309.225	DKOXGTSFTGDEHC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067490
Brc1ccc(nc1)NCc1sc2c(c1)CCC2	PC-id_61208570,EMOLS-id_38138757	309.225	UWBDFPASDOSCBL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067491
Brc1cc(C(N)c2sc3CCCc3n2)ccc1	PC-id_61330895	309.225	FABHXUXDPAXCCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067492
Brc1c(C(N)c2sc3CCCc3n2)cccc1	PC-id_61332279	309.225	RJHMVRXKFBBCOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067493
Brc1cncc(c1)NCc1sc2c(c1)CCC2	PC-id_103702783	309.225	ALGLYIBNZDQVKQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067494
Brc1cnccc1NCc1sc2c(c1)CCC2	PC-id_104776883	309.225	QXTTVCTUBJUDBR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067495
Brc1sc2c(c1)C(CC2)NCc1cccnc1	MCULE-4996673635,EMOLS-id_317949984	309.225	XXCNXHSYZJBFME-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067496
CC1CCc2c1c(CCl)nn2Cc1c(C)cccc1Cl	EMOLS-id_331024909,MCULE-9599309841	309.234	JXGBBYRNUAJBNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067497
CC1CCc2c1c(CCl)nn2Cc1cccc(C)c1Cl	EMOLS-id_331025165,MCULE-8379033813	309.234	SSSNQXNHDVRTLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067498
CC1CCc2c1c(CCl)nn2Cc1ccc(C)cc1Cl	MCULE-5228001366,EMOLS-id_331024653	309.234	PKAYRLFWLAVXFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067499
CC1CCc2c1c(CCl)nn2Cc1cc(C)ccc1Cl	MCULE-9890985154,EMOLS-id_331025421	309.234	HBUNYMOQRNFPHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067500
CC1CCc2c1c(CCl)nn2Cc1cc(C)cc(Cl)c1	EMOLS-id_331023630,MCULE-2772313158	309.234	IQVHXNHNNQDRNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067501
CC1CCc2c1c(CCl)nn2Cc1ccc(C)c(Cl)c1	MCULE-7308152387,EMOLS-id_331023118	309.234	YJNAXVXQSLZQPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067502
CC1CCc2c1c(CCl)nn2Cc1cccc(Cl)c1C	EMOLS-id_331023374,MCULE-7437387005	309.234	ALPBBFPTSBCNSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067503
CC1CCc2c1c(CCl)nn2Cc1ccc(Cl)cc1C	MCULE-6559306775,EMOLS-id_331025934	309.234	XVXKPPDNGQEUFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067504
CC1CCc2c1c(CCl)nn2Cc1ccc(Cl)c(C)c1	MCULE-9908418382,EMOLS-id_331026190	309.234	CFGLTXYYGMENQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067505
CC1CCc2c1c(CCl)nn2Cc1cc(Cl)ccc1C	EMOLS-id_331023886,MCULE-8978079542	309.234	XIURXHLBIYRADX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067506
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(CCl)c12	EMOLS-id_331008695,MCULE-4032879978	309.234	YULLNGPDISJZHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067507
CC1CCc2nn(Cc3cccc(C)c3Cl)c(CCl)c12	EMOLS-id_331009207,MCULE-4987230532	309.234	VEIWIMQDRGXYLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067508
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(CCl)c12	MCULE-2239566576,EMOLS-id_331009463	309.234	WXEKIXBCTPCYJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067509
CC1CCc2nn(Cc3c(C)cccc3Cl)c(CCl)c12	MCULE-9585233247,EMOLS-id_331008951	309.234	JWUZNODWPXIQBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067510
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(CCl)c12	MCULE-3350294267,EMOLS-id_331007160	309.234	WRJVFYLOJFFRDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067511
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(CCl)c12	MCULE-6084570753,EMOLS-id_331007672	309.234	PVKNJPKPYHIRKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067512
CC1CCc2nn(Cc3cccc(Cl)c3C)c(CCl)c12	EMOLS-id_331007416,MCULE-2209680253	309.234	LCNJMXRSVKAFGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067513
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(CCl)c12	EMOLS-id_331009976,MCULE-8521498545	309.234	KVUFOXWDXBZKTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067514
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(CCl)c12	EMOLS-id_331006137,MCULE-3792333950	309.234	GKBHLZUTQYNUOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067515
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(CCl)c12	EMOLS-id_331007928,MCULE-9749553548	309.234	XJLGKMONTHVOJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067516
CCc1cc(Cn2nc3CCC(C)c3c2Cl)ccc1Cl	EMOLS-id_330957747,MCULE-1339361962	309.234	ANLCLBGSKMXEMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067517
CCc1cc(Cn2nc(Cl)c3C(C)CCc23)ccc1Cl	EMOLS-id_330976758,MCULE-7113007585	309.234	IRJFERGOIYETEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067518
FC(F)(F)c1ccc(C(=O)c2n(c3c(OC(=O)C3)c2)C)cc1	PC-id_18424317,SCHEMBL7678332	309.24	FVJOAPKEONXNPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067519
FC(F)(F)C1C(n2c(noc2=O)C1)CCCC(N)C(=O)O	PC-id_23500589,SCHEMBL6796720	309.242	OIBIRIHRFYQSJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067520
c12CN(Cc1nn(CCF)c2C(=O)OCC)CC(F)(F)F	EMOLS-id_324342639,MCULE-7086357120	309.26	JIHQMUWMHGNZSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067521
s1c2c(CCC2)c(c1NC(=O)OCC(F)(F)F)C(=O)O	PC-id_61170591	309.262	UIUPVUOBYUGYEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067522
COC(=O)[C@H]1C(c2cccn2C1=O)C(C(=O)OC)C(=O)OC	PC-id_134843447	309.271	ZRMATZFZWSQFHT-GKAPJAKFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067523
CCOC(=O)c1c(C)n2c(c1C(=O)OC)CC(=O)N2C(=O)N	PC-id_101052748	309.275	HHFHLRXVOZNEMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067524
O=C1N(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OCC)C(=O)N	PC-id_23245184	309.275	ADJPMMIAYGFOLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067525
c1(CNC(=O)c2ccc(F)c(F)c2F)c2CCCc2nn1C	PC-id_91819361,ZINC22_225817160,MCULE-6316210847,EMOLS-id_53884593	309.286	HOVSQXNFHLPGNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067526
c1(C(=O)Nc2ccccc2C(F)(F)F)c2CCCc2n(C)n1	EMOLS-id_179745382,MCULE-6529955678,PC-id_110389106	309.286	PZPHUODQARJAJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067527
c1(C(=O)Nc2cccc(c2)C(F)(F)F)c2CCCc2n(C)n1	MCULE-4479761161,EMOLS-id_179745385,PC-id_110389107	309.286	AODGHKUWZVJQJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067528
c1(C(=O)Nc2ccc(cc2)C(F)(F)F)c2CCCc2n(C)n1	PC-id_110389108,MCULE-1012753334,EMOLS-id_179745388	309.286	NLYGFFAVIZXKFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067529
c1(C(=O)NCc2cccc(c2)C(F)(F)F)c2CCCc2[nH]n1	EMOLS-id_335066272,MCULE-2430374872	309.286	CURVDAVEDGBGQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067530
CCc1cccc(c1)C(=O)N1Cc2c(C1)c(n[nH]2)C(F)(F)F	SCHEMBL20332134,PC-id_135181283	309.286	KSDQDAIMDRZAKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067531
Cn1c2c(CN(C2)C(=O)Cc2cc(ccc2)C(F)(F)F)cn1	SCHEMBL16024674,PC-id_90399933	309.286	HBOZZNAHFQEJFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067532
Fc1ccc(cc1)C(C(=O)NC1CC(n2c1ncc2)C)(F)F	EMOLS-id_318671011	309.286	CDXJPAQCBJGQFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067533
Fc1ccc(cc1)C(C(=O)Nc1n(C)nc2c1CCC2)(F)F	EMOLS-id_318784786	309.286	QNEIWUUMJOBQRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067534
FC(F)(F)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536814	309.286	CCLKKUROESUHJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067535
O=Cc1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C	PC-id_145296904	309.286	DOFIEQDYHZCXFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067536
O=C(c1cc2n(n1)CCC2)NCc1cccc(c1)C(F)(F)F	EMOLS-id_318702375	309.286	BUZCBAGRIAYJIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067537
O=C(c1ccc(cc1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319387917	309.286	YHVYYVBTUUFDAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067538
O=C(c1cccc(c1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319732014	309.286	JPRJXQZDRGGEER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067539
O=C(c1ccc(c(c1)C(F)F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318984451	309.286	GQNGDZZWZUEIJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067540
O=C(c1ccc(cc1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319353264	309.286	VMLPLWSZCJNFAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067541
O=C(c1ccc(cc1F)C(F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318445388	309.286	IPXIRDLLEQDHGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067542
O=C(c1ccc(c(c1)F)C(F)F)NCc1cnc2n1CCC2	EMOLS-id_318927662	309.286	BXQBETMSHJYVAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067543
O=C(c1cccc(c1F)C(F)F)NCc1cnc2n1CCC2	MCULE-8447510894,EMOLS-id_319896055	309.286	IAAOWNUNNVKHRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067544
O=C(c1ccc(cc1F)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319293916	309.286	FNFJGSXMOJOBLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067545
O=C(c1ccc(c(c1)F)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319574465	309.286	OBSRRXQZECOOHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067546
O=C(c1cnc2n1CCC2)Nc1cccc(c1)CC(F)(F)F	EMOLS-id_318374284	309.286	JEVYUHOJPDFTDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067547
O=C(c1cnc2n1CCC2)Nc1ccccc1CC(F)(F)F	EMOLS-id_318481898	309.286	MAIWFLNOWAGYLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067548
O=C(c1cnc2n1CCC2)Nc1ccc(cc1)CC(F)(F)F	EMOLS-id_318540092	309.286	NXAOOTGEBVLPSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067549
O=C(c1cnc2n1CCC2)NCc1ccc(cc1)C(F)(F)F	EMOLS-id_318622346	309.286	MWFZJFCPIGWQMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067550
O=C(c1cnc2n1CCC2)NCc1ccccc1C(F)(F)F	EMOLS-id_318717658	309.286	KNUQHDJSNKPPKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067551
O=C(c1cnc2n1CCC2)NCc1cccc(c1)C(F)(F)F	EMOLS-id_318742409	309.286	AOBZZOBVECUSDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067552
O=C(c1cnc2n1CCC2)NC(C(F)(F)F)c1ccccc1	EMOLS-id_318440763	309.286	FQBINXLSMGXNDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067553
O=C(c1cnn2c1CCC2)Nc1ccccc1CC(F)(F)F	EMOLS-id_318450438	309.286	GBPICBZKSATUCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067554
O=C(c1cnn2c1CCC2)Nc1cccc(c1)CC(F)(F)F	EMOLS-id_318500747	309.286	NDEBPBFHKPERIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067555
O=C(c1cnn2c1CCC2)Nc1ccc(cc1)CC(F)(F)F	EMOLS-id_318542031	309.286	VGSBWEUSMOTOMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067556
O=C(c1cnn2c1CCC2)NCc1cccc(c1)C(F)(F)F	EMOLS-id_318459702	309.286	BQAJQVHQQRRGSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067557
O=C(c1cnn2c1CCC2)NCc1ccc(cc1)C(F)(F)F	EMOLS-id_318519739	309.286	IYFZIIYPLMCZEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067558
O=C(c1cnn2c1CCC2)NCc1ccccc1C(F)(F)F	EMOLS-id_318612997	309.286	GWYTWXIURYGTFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067559
O=C(c1cnn2c1CCC2)NC(C(F)(F)F)c1ccccc1	EMOLS-id_318702992	309.286	GXTXEBUEAMKHTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067560
O=C(c1nn2c(c1)CCC2)Nc1ccc(cc1)CC(F)(F)F	EMOLS-id_318489970	309.286	CTAYIVMCVZNTKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067561
O=C(c1nn2c(c1)CCC2)Nc1ccccc1CC(F)(F)F	EMOLS-id_318670576	309.286	YCEHDTWTGQPALF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067562
O=C(c1nn2c(c1)CCC2)Nc1cccc(c1)CC(F)(F)F	EMOLS-id_318745587	309.286	JTUVANQKNGTSOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067563
O=C(c1nn2c(c1)CCC2)NCc1ccccc1C(F)(F)F	EMOLS-id_318566408	309.286	YLZBFCXKYULIBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067564
O=C(c1nn2c(c1)CCC2)NCc1ccc(cc1)C(F)(F)F	EMOLS-id_318607060	309.286	PLOUKZWSSNGFAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067565
O=C(c1nn2c(c1)CCC2)NC(C(F)(F)F)c1ccccc1	EMOLS-id_318737062	309.286	VPPAKSMGKBHPKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067566
O=C(Cc1cc(F)c(cc1F)F)NCc1cnc2n1CCC2	EMOLS-id_319229032	309.286	MBPMIIDNIOWIEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067567
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1ccccc1	EMOLS-id_318752637	309.286	OIRLVOFTCGQBRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067568
Cc1nc2s/c(=Cc3cccc(OC(F)F)c3)/c(=O)n2n1	STOCK7S-52867,EMOLS-id_50597576	309.291	SPIPWASNEGTCPI-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-067569
COCc1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324900355	309.291	MDQXSHDIGUNASW-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067570
COCc1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324899843	309.291	DILOKOYSPUDRDE-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067571
COCc1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324901896	309.291	OAPVKULYDHRZDP-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067572
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)COC	MCULE-2832783014	309.291	MDQXSHDIGUNASW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067573
n12nc(nc1sc(=Cc1cccc(c1)OC(F)F)c2=O)C	MCULE-9274316987,PC-id_91821075	309.291	SPIPWASNEGTCPI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067574
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)COC	MCULE-5849321305	309.291	DILOKOYSPUDRDE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067575
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)COC	MCULE-2890338000	309.291	OAPVKULYDHRZDP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-067576
O1C(CN2CCC(CC2)C(=O)[O-])(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081190,SCHEMBL5534831	309.298	KZZLXLUONVSCKO-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-067577
O1[C@@](CN2CCC(CC2)C(=O)[O-])(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5534835,PC-id_69479150	309.298	KZZLXLUONVSCKO-ZDUSSCGKSA-M	00000010100010000001000010000000000000000000000000000000	25-01-067578
S(=O)(=O)(CC1Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccccc1	PC-id_11426845	309.298	KKAROZVMCQUZQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067579
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1n[nH]c2c1CNC2	MCULE-5136706003,ZINC22_725372871,EMOLS-id_259725301	309.301	AJGVRSXBAIXQBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067580
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1n[nH]c2CNCc12	MCULE-1567273087,EMOLS-id_259722029,ZINC22_725374678	309.301	MYBVEWIVTUPXAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067581
CCOC(=O)C1CCc2c1nc(s2)COCC(F)(F)F	PC-id_103473387	309.305	DRTXUXHADDQUCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067582
FC(C1(CC1)CNS(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_98575360	309.308	JREPMQVURSHTIB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067583
FC(C(C1CC1)NS(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_99307247	309.308	BHOQPHXJZGAPIE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067584
FC(CN(S(=O)(=O)c1cnc2n1CCC2)C1CC1)(F)F	EMOLS-id_100197090	309.308	BQZMWVZLRPNHFN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067585
s1c2CCCc2nc1Nc1c(cc(cc1)C(F)(F)F)C#N	PC-id_61511718	309.31	KSCGJOGLIASSOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067586
s1c2CCCc2nc1Nc1cc(c(cc1)C(F)(F)F)C#N	PC-id_81529506	309.31	GFZCYJFSOPBURE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067587
s1c2CCCc2nc1Nc1cc(c(cc1)C#N)C(F)(F)F	PC-id_61511680	309.31	IHFPFSPCHFSMPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067588
CC(C)C1CC(c2c1cc([nH]2)C(=O)O)(OC(=O)C)OC(=O)C	SCHEMBL13283012,PC-id_89053409	309.314	PCHDWJCUGPLFQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067589
FC(Cn1nc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C)F	EMOLS-id_319490787	309.314	SPARVCLDFLGZHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067590
O=C(Cn1nc(cc1C(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_319486483	309.314	NEIYHRNTZFUQHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067591
C#CCOc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	CHEMBL9290,PC-id_13487047	309.316	BMBUXDAFKWSJNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067592
[O-]/C(=C/[N+]#N)/C1CCn2c1ccc2C(=O)c1ccc(OC)cc1	PC-id_24851370	309.319	KMNXJQNOCRKLBJ-MHWRWJLKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067593
[O-]C(=C[N+]#N)C1CCn2c1ccc2C(=O)c1ccc(OC)cc1	PC-id_74333014	309.319	KMNXJQNOCRKLBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067594
c1cnc(nc1)Oc1cccc(c1)OCc1nnc2n1CCC2	EMOLS-id_318861790	309.323	QAFBMJMELPXAGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067595
c1(cnoc1c1ccccc1)C(=O)NCc1nnc2CCCn12	ZINC22_426472618,EMOLS-id_177405742,MCULE-6287028090,PC-id_121500314	309.323	DBGARPIOKGDLIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067596
c1(C(=O)NCc2nnc(c3ccccc3)o2)c2CCCc2n[nH]1	EMOLS-id_82720393,PC-id_119066247,ZINC22_426508150,MCULE-7129881063	309.323	VUSHDJBLLDDRCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067597
c1(C(=O)NCc2onc(c3ccccn3)c2)c2CCCc2[nH]n1	PC-id_28100994,MCULE-9153275753,EMOLS-id_30489736,ZINC22_19228510	309.323	MSMZMTRVCNVTMD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067598
COc1ccc(c2n[nH]cc2C(=O)N2Cc3c[nH]nc3C2)cc1	ZINC22_646345995,MCULE-3511191297,EMOLS-id_316812677	309.323	BTJLKWPCUZDLML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067599
o1nc(C(=O)NCc2n3CCCc3nn2)cc1c1ccccc1	PC-id_52375811	309.323	AJZZHCVRFLQBOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067600
O=C(c1cccc(c1)c1nnco1)NCc1cnc2n1CCC2	EMOLS-id_320086827,MCULE-7786048984	309.323	QKANQCUGMJTCMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067601
O=C(c1cccc(c1)c1nnco1)NCc1n[nH]c2c1CCC2	MCULE-9899317513,EMOLS-id_319881880	309.323	RTBPNQUFSPJLNG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067602
O=C(c1coc(n1)c1cccnc1)NCc1cnc2n1CCC2	EMOLS-id_319067956	309.323	JLVBXCBGGWJZEU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067603
O=C(c1coc(n1)c1cccnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319642412	309.323	ZDBRSIKROZANMY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067604
O=C(c1noc(c1)c1ccncc1)NCc1cnc2n1CCC2	EMOLS-id_320033863,MCULE-6961235295	309.323	KZQDTSPXVKVVRP-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067605
O=C(c1noc(c1)c1ccncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318954251	309.323	YYIUPMYZWFWOPT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067606
O=C(c1onc(c1)c1ccccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319983814,MCULE-9851648498	309.323	IUXBHDBSYCREAG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067607
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccon1	ZINC22_190080804,EMOLS-id_53797739,MCULE-4254428107,PC-id_99829839	309.323	WSULMRHBUFCFNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067608
O=C(NCc1nnc2n1CCC2)c1cc(c2ccccc2)no1	MCULE-3633736424,PC-id_51087691,ZINC22_54151221,EMOLS-id_32043510	309.323	WVMQDRFOIJMUGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067609
c1(C(N)c2ccc(cc2)CC)c2CCCc2oc1C(F)(F)F	PC-id_83610566,MCULE-7365255552	309.326	GQLLJNWQMORNFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067610
c1(C(=O)Nc2cccc(c2)c2nnn(C)n2)c2CCCc2n[nH]1	ZINC22_95474534,STOCK7S-41677,EMOLS-id_49403882,PC-id_71703238,MCULE-9235508620,EMOLS-id_48565352	309.326	CQYLRVWYIIQOMW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067611
c1(C(=O)NCc2cccnc2n2cncn2)c2CCCc2n[nH]1	PC-id_119068698,ZINC22_363189747,MCULE-4282614065,EMOLS-id_82726991	309.326	IIVXZBKZDJKOPZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067612
c1(C(=O)NCc2[nH]nc(c3ccncc3)n2)c2CCCc2[nH]n1	ZINC22_215666993,EMOLS-id_49881896,PC-id_77087403,MCULE-6889384479	309.326	KHCHCHMVNPNQBT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067613
c1(C(=O)NCc2nnc3CCCn23)cn(nn1)c1ccccc1	MCULE-6364345649,ZINC22_46329880,EMOLS-id_43139306,PC-id_56903176	309.326	ZEFPHGQPBRKMOG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067614
c1(C(=O)NCc2nnnn2c2ccccc2)c2CCCc2[nH]n1	MCULE-6798544885,EMOLS-id_49873948,ZINC22_215301431,PC-id_77082863	309.326	LLGDDGAAAFSGBU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067615
Cn1nnnc1c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1	PC-id_136577037,ZINC22_119523725,EMOLS-id_316860491,MCULE-3591935579	309.326	AOGUXLBMBPPPIT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067616
FC(F)(F)c1oc2c(CCC2)c1C(N)c1c(cc(cc1)C)C	PC-id_83610567	309.326	VORFHDLZUFSKEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067617
FC(F)(F)c1oc2c(CCC2)c1C(N)c1cc(c(cc1)C)C	PC-id_83610568	309.326	UIPCJMRJPHMWSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067618
FC(F)(F)c1oc2c(CCC2)c1C(N)c1c(ccc(c1)C)C	PC-id_83610569	309.326	JMYLLZLGXNNWPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067619
O=C(c1ccc(cc1)n1cnnn1)NCc1cnc2n1CCC2	MCULE-3172347086,EMOLS-id_320335944	309.326	ULXIKCZPUUICMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067620
O=C(c1ccc(nc1)n1cncn1)NCc1cnc2n1CCC2	EMOLS-id_318867046	309.326	IAZPFISVNZGWKM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067621
O=C(c1ccncc1)Nc1cnn(c1)Cc1nnc2n1CCC2	EMOLS-id_319031479	309.326	QEJDRPYEOJFCLM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067622
O=C(c1cncc(c1)n1nncc1)NCc1cnc2n1CCC2	MCULE-4240051071,EMOLS-id_319992479	309.326	KARKJEBAGCGFNY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067623
O=C(c1cnn2c1CCC2)Nc1ccccc1c1nnnn1C	EMOLS-id_319740152	309.326	WNGOQROFYYIGSX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067624
O=C(c1nnn(c1)c1cccnc1)NCc1cnc2n1CCC2	EMOLS-id_319780387	309.326	CXWOBBDDFXFVHU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067625
O=C(NCc1cc(ccc1)c1n[nH]nn1)c1n[nH]c2CCCc12	PC-id_77083165	309.326	BZVNOWSWZASPAA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067626
O=C(NCc1nnc2n1CCC2)c1cnn(c2ccccc2)n1	EMOLS-id_30677326,ZINC22_48279598,PC-id_47016892,MCULE-5772596340	309.326	HMXMNTIPTAVBJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067627
CC1CCc2c1c(CN)nn2Cc1ccccc1C(F)(F)F	EMOLS-id_331012860,MCULE-2290863072	309.329	INIJOBLUKYAQRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067628
CC1CCc2c1c(CN)nn2Cc1ccc(cc1)C(F)(F)F	MCULE-7719649050,EMOLS-id_331010556	309.329	VKDLMRIKIYMEDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067629
CC1CCc2c1c(CN)nn2Cc1cccc(c1)C(F)(F)F	MCULE-8104929705,EMOLS-id_331010813	309.329	GTDZCKZBJZZWFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067630
CC1CCc2c1c(N)nn2Cc1cc(ccc1C)C(F)(F)F	EMOLS-id_330961404,MCULE-1507726320	309.329	RIRZJMPRNOFOKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067631
CC1CCc2c1c(N)nn2Cc1cccc(c1C)C(F)(F)F	MCULE-3228081290,EMOLS-id_330962172	309.329	FHDUYDLEBFRQGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067632
CC1CCc2c1c(N)nn2Cc1ccc(C)c(c1)C(F)(F)F	EMOLS-id_330961660,MCULE-7879924929	309.329	FSDGZNAFTMISGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067633
CC1CCc2c1c(N)nn2Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_330961916,MCULE-9210960567	309.329	QQQIQQHVFBNDRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067634
CC1CC(c2n1ccn2)NCCc1ccc(cc1)C(F)(F)F	MCULE-2355548954,EMOLS-id_318010513	309.329	GJVJTLAWIGZWDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067635
CC1CC(c2n1ccn2)NCCc1ccccc1C(F)(F)F	MCULE-2491310014,EMOLS-id_318301823	309.329	VRBFEXNZADHXSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067636
CC1CC(c2n1ccn2)NCC(C(F)(F)F)c1ccccc1	EMOLS-id_318372918,MCULE-1486993280	309.329	DUMVEGQOFVGREI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067637
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(N)c12	MCULE-1791398877,EMOLS-id_331010473	309.329	QGLDWEABHWMIQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067638
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(N)c12	MCULE-4370222199,EMOLS-id_331011241	309.329	KNEGYJFGJQBSLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067639
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(CN)c12	EMOLS-id_330994615,MCULE-2732668084	309.329	CDDKONAFABDUMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067640
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(CN)c12	EMOLS-id_330996406,MCULE-8245590678	309.329	KSAHXGJTOHEUCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067641
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(CN)c12	MCULE-1896416052,EMOLS-id_330996663	309.329	HHPXLOQTTOQPMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067642
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(N)c12	EMOLS-id_331010985,MCULE-1493954674	309.329	WTFDQMDRBVMMGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067643
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(N)c12	MCULE-4582728268,EMOLS-id_331010729	309.329	ZJUVAGDWOLZDHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067644
Cc1ccccc1C(CC(F)(F)F)NC1CCn2c1ncc2	MCULE-1260458035,EMOLS-id_318290697	309.329	DKCYXUHFYURTBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067645
Cc1cc(ccc1CNCc1cnc2n1CCC2)C(F)(F)F	EMOLS-id_318307859,MCULE-9076895546	309.329	KIDYRHZHAIJLTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067646
CC(c1cc2n(n1)CCC2)NCc1cccc(c1)C(F)(F)F	EMOLS-id_318371142,MCULE-4638712651	309.329	ILZTYDQVBOFFMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067647
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331010478,MCULE-8203569272	309.329	DPQOOUSPMPRQIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067648
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331012780,MCULE-8932109352	309.329	FVQVLARGMOSZCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067649
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1N	MCULE-3301758907,EMOLS-id_331010986	309.329	ZRHGMMKNJPEZLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067650
CC(c1cccc(c1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318393865,MCULE-7772798544	309.329	QITCVNRZZQBAII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067651
CC(c1nn2c(c1)CCC2)NCc1ccccc1C(F)(F)F	MCULE-2872889984,EMOLS-id_318287713	309.329	PQGAJZGPNNUIQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067652
CC(c1nn2c(c1)CCC2)NCc1ccc(cc1)C(F)(F)F	MCULE-5495576713,EMOLS-id_318034491	309.329	FIMYXDKJJDIYGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067653
FC(CCc1ccccc1NCc1cnc2n1CCC2)(F)F	EMOLS-id_318393858	309.329	FJHPUWCESODUDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067654
FC(Oc1ccccc1NC(=O)c1sc2c(c1)CCC2)F	EMOLS-id_34327260,CHEMBL1498927,PC-id_2558196,ChEMBL-DNDi_CHEMBL1498927,MCULE-3764880390	309.331	DKZWTKQMLMQNRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067655
Nc1c(C(=O)c2ccc(OC(F)F)cc2)c2c(CCC2)s1	PC-id_71758358,ZINC22_95347571,EMOLS-id_46217836,MCULE-2251902150	309.331	HPNIMKFNTSWKTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067656
s1c2CCCc2cc1CNc1c(F)c(F)c(cc1)C(=O)O	PC-id_79834668	309.331	NVVNUATYSBYJGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067657
s1c2CCCc2cc1C(=O)Nc1ccc(OC(F)F)cc1	PC-id_8502576	309.331	YXKGPXWQOKNBDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067658
c1(NC(=O)Cc2ccc(cc2F)F)n(C)nc2CSCc12	EMOLS-id_334561715,MCULE-8692757802	309.334	IWYPJORMQAUHIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067659
Cc1cccnc1C(C(=O)Nc1sc2c(n1)CCC2)(F)F	EMOLS-id_318657706	309.334	ITBMJPUONSMZOM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067660
FC(c1ccc(cn1)C(=O)NCc1sc2c(n1)CCC2)F	EMOLS-id_318691652	309.334	VFZIWKWOYGLMGV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067661
FC(c1ccnc(n1)CNC(=O)c1sc2c(c1)CCC2)F	EMOLS-id_318484602	309.334	SHIMVWMPHKSTCB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-067662
s1c2CCCc2nc1NC(=O)c1cc(F)c(NC)c(F)c1	PC-id_63185580	309.334	ZRUZCTRBVCKXLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067663
c12SC(=O)C(CC(=O)c3ccc(cc3)F)c1sc(=O)[nH]2	PC-id_16272350,MCULE-8344696362	309.336	TYXDEWTYIPZPSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067664
CCOC(=O)C(C1CCN(C1)C(=O)c1cn2c(n1)CCC2)F	EMOLS-id_278436091	309.336	RMGXSLMUBRYKKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067665
CCOC(=O)C(C1CCN(C1)C(=O)c1cnc2n1CCC2)F	EMOLS-id_316508890	309.336	JCRXHZXHMCYVHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067666
O=C(C[C@@H]1C(=O)Sc2[nH]c(=O)sc12)c1ccc(F)cc1	CoCoCo_6313774,PC-id_8812947,ZINC22_7699133	309.336	TYXDEWTYIPZPSG-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067667
O=C(C[C@H]1C(=O)Sc2[nH]c(=O)sc12)c1ccc(F)cc1	PC-id_8812946,CoCoCo_6313773,ZINC22_101113009	309.336	TYXDEWTYIPZPSG-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067668
c1(NC(=O)C=C(C)C(=O)O)sc2c(CCC2)c1C(=O)OC	PC-id_4232146,MCULE-4851603771	309.338	NJANPSQJERIISL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067669
c1(NC(=O)/C=C/C(=O)O)sc2c(CCC2)c1C(=O)OCC	CoCoCo_116411,SPECS-id_AT-084/J158787,ZINC22_96094,PC-id_5396230,SPECS-id_AT-225/NB99824,SPECS-id_AN-153/I120930,EMOLS-id_1060289,MCULE-8340288758,BAS-00675477	309.338	SQUAHUSIKRIWOG-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067670
c1(NC(=O)C=CC(=O)O)sc2c(CCC2)c1C(=O)OCC	PC-id_2254799,MCULE-4401214378	309.338	SQUAHUSIKRIWOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067671
CCOC(=O)c1c(NC(=O)/C=CC(=O)O)sc2c1CCC2	CoCoCo_116412,EMOLS-id_49459689,ZINC22_101127750	309.338	SQUAHUSIKRIWOG-SREVYHEPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067672
COC(=O)c1c(NC(=O)/C=C(C)/C(=O)O)sc2c1CCC2	ZINC22_5516735,TIMTEC333002,PC-id_6043427,EMOLS-id_46445022	309.338	NJANPSQJERIISL-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067673
COC(=O)c1c(NC(=O)/C=C(C(=O)O)/C)sc2c1CCC2	CoCoCo_6256819,CoCoCo_6256818	309.338	NJANPSQJERIISL-SREVYHEPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067674
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)sc2c1CCC2	PC-id_105633409	309.338	BNDWQJPIQIAXLI-SFYZADRCSA-N	00100010100000000000000010000000000000000000000000000000	25-01-067675
COC(=O)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_6388163	309.338	DRMBPIJXBJEYJA-SREVYHEPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067676
COC(=O)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_35214537,CoCoCo_6388162	309.338	DRMBPIJXBJEYJA-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067677
s1c2c(CCC2)c(c1NC(=O)C1C(C1)C(=O)O)C(=O)OC	PC-id_60790942	309.338	BNDWQJPIQIAXLI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-067678
s1c2c(CCC2)c(c1NC(=O)C1=COCCO1)C(=O)OC	PC-id_4108189	309.338	JXTOTQCNCIWTIN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-067679
s1c2c(CCC2)c(c1NC(=O)C=CC(=O)OC)C(=O)OC	PC-id_85496224	309.338	DRMBPIJXBJEYJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067680
N=C(O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316046128,MCULE-7174538543,ZINC22_328602357	309.339	BJFGOPLKWGCGON-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067681
Cc1cc(c(o1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_110481234	309.341	ZGPZFOIXUKQCMI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-067682
Cc1cc(S(=O)(=O)NC(=O)c2cnn3c2CCC3)c(C)o1	PC-id_136546703,MCULE-5753529483,ZINC22_408490414,EMOLS-id_112079111	309.341	ARKJRHMCINHPTP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-067683
Cc1occ(c1C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_110844786	309.341	SLXNHOLTEGHYRP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-067684
Cc1oc(c(c1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_112057143	309.341	QLXCEPOSPRVIRL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-067685
Cc1oc(c(c1)S(=O)(=O)NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_112079105	309.341	BMHOPSNUOREABG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-067686
COc1cccc(c1S(=O)(=O)N1Cc2c(C1)cnn2C)O	EMOLS-id_319396900	309.341	MBKDGUGFGUWXQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067687
COc1cccc(S(=O)(=O)N2CCn3nccc23)c1OC	ZINC22_903630004,MCULE-6510707873,EMOLS-id_316298886	309.341	GOXKJTQWMAOQAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067688
COc1cc(OC)cc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318365818	309.341	ROUSLSSUBSUQOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067689
O=C(c1ccc(o1)S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_319191454	309.341	ADZNMPMSPSFDIU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-067690
O=C(c1oc(c(c1)C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466280	309.341	LIFDOUIHDQGGPR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-067691
OC(=O)C1CCc2c1nc(s2)NC1CCC(=O)N(C1=O)C	PC-id_104289017	309.341	ZEHBOELNEWOGDP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067692
s1c2CCCc2nc1NC(=O)NC(=O)/C(=C(/C)C(=O)O)/C	PC-id_63268487	309.341	URADSDVSLJWBRC-SREVYHEPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067693
s1c2CCCc2nc1NC(=O)NC(=O)C(=C(C)C(=O)O)C	PC-id_76992321	309.341	URADSDVSLJWBRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067694
n12nc(nc1sc(=Cc1ccco1)c2=O)Cc1ccccc1	MCULE-7811412337	309.342	MKQJFOMDYWGBAE-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-067695
CCOC(=O)N1CCN(/C=c/2sc3ncnn3c2=O)CC1	ZINC22_618255295	309.344	VLFVZYFCPMRBMB-CLFYSBASSA-N	00000000100010000001000010000000000000000000000000000000	25-01-067696
n12ncnc1sc(=CN1CCN(CC1)C(=O)OCC)c2=O	MCULE-1930525769	309.344	VLFVZYFCPMRBMB-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-067697
O=C(c1cnn(c1C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112067203	309.344	QJMYPLYAWLTFOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067698
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)C1C=CC(=O)N=C1	PC-id_76886428	309.344	GCLVPUSBJJBHOS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-067699
S(=O)(=O)(NC(c1n2CCCc2nn1)C)C1C=CC(=O)N=C1	PC-id_76897205	309.344	LIPBAYJGMHWHMS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-067700
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c[nH]c(=O)cc1	PC-id_60959711	309.344	YRSJWHXBUZFMGA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067701
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1c[nH]c(=O)cc1	PC-id_61274838	309.344	SBHDBZWQYVNDGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067702
S(=O)(=O)(NC(c1n2CCCc2nn1)C)C1C(=O)C=CN=C1	PC-id_77023466	309.344	CBQBROHMXGTZPA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-067703
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)C1C(=O)C=CN=C1	PC-id_77024106	309.344	LXYYOBSQESLUSZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-067704
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1c(=O)cc[nH]c1	PC-id_64275858	309.344	ZYNXLPZNELZBQJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067705
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(=O)cc[nH]c1	PC-id_64277391	309.344	BYZIMLOLGXFBIE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-067706
FC(c1cccc(c1)C[NH2+][C@H]1CC(n2c1ccc2)(C)C)(F)F	GD-id_ZINC01496222	309.349	AVCUOXRYOPFHLD-AWEZNQCLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-067707
CO[C@@H](C)[C@@](O)(C(C)C)C(=O)OCc1ccn2CCC(=O)c12	LI_44906,CoCoCo_5452114	309.358	WEKABNADTCEIID-ZBEGNZNMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067708
CO[C@@H]([C@@](C(=O)OCc1ccn2c1C(=O)CC2)(C(C)C)O)C	CoCoCo_5452112	309.358	WEKABNADTCEIID-BDJLRTHQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067709
CO[C@H]([C@@](C(=O)OCc1ccn2c1C(=O)CC2)(C(C)C)O)C	CoCoCo_5452113	309.358	WEKABNADTCEIID-MEDUHNTESA-N	00000010100000000000000010000000000000000000000000000000	25-01-067710
CO[C@@H]([C@](C(=O)OCc1ccn2c1C(=O)CC2)(C(C)C)O)C	CoCoCo_5452115,NSC124695	309.358	WEKABNADTCEIID-BZNIZROVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067711
OC(C(C)C)(C(OC)C)C(=O)OCc1c2n(CCC2=O)cc1	PC-id_276558	309.358	WEKABNADTCEIID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067712
CC1CC(c2n1ccn2)NS(=O)(=O)c1c(C)cccc1F	EMOLS-id_101318437	309.359	XZTMEBLIORUJKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067713
Cc1cccc(c1F)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318449	309.359	RQPLLUJJERWPGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067714
Cc1ccc(c(c1)F)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318563	309.359	USDDCSPHLUTBDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067715
Cc1ccc(cc1F)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320463	309.359	QWABYPDPMLWTPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067716
Cc1ccc(cc1F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319072207	309.359	ZGOPMQBOAPHYOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067717
Cc1cccc(c1F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319196392	309.359	WKQOJFARAMSBDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067718
Cc1ccc(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_101320451	309.359	VTKQUGZEMWJHBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067719
Cc1ccc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)F	EMOLS-id_318598338	309.359	HKYKAWLNGRAZLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067720
Cc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)F	MCULE-3092478273,EMOLS-id_319977479	309.359	WOAXSGIEIHRVSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067721
Cc1ccc(S(=O)(=O)Nc2c3c(nn2C)CCC3)c(F)c1	ZINC22_328908538,EMOLS-id_98227988	309.359	MEFMBXXJVCYTFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067722
Cc1cc(F)cc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318509	309.359	XKFGUANPODKTKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067723
Cc1cc(F)cc(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318450335	309.359	LTFARNHVDJPFPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067724
CCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2C(=O)O	SCHEMBL10817074,PC-id_20253967	309.359	WSXCWWVJVHERKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067725
CCCCc1cc2n(c1C(=O)c1ccccc1)CC=C2C(=O)O	PC-id_70619105,SCHEMBL11602561	309.359	IATPNWBUUIEGEZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-067726
CCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	PC-id_20253897,SCHEMBL10816939	309.359	RRFZVNQRZBALJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067727
Cn1nc2c(c1NS(=O)(=O)c1cccc(c1C)F)CCC2	EMOLS-id_318650799	309.359	MADCZASXZJDMMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067728
Cn1nc2c(c1NS(=O)(=O)c1ccc(c(c1)C)F)CCC2	EMOLS-id_318742415	309.359	JUUXZOFIBIPVCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067729
Cn1nc2c(c1NS(=O)(=O)c1cccc(c1F)C)CCC2	EMOLS-id_318562833	309.359	ISPPVFSIHXXZOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067730
Cn1nc2c(c1NS(=O)(=O)c1ccc(c(c1)F)C)CCC2	EMOLS-id_318764110	309.359	RQYHBIPOSXSDKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067731
Cn1nc2c(c1NS(=O)(=O)c1c(C)cccc1F)CCC2	EMOLS-id_318476088	309.359	YXKHYUPGWJQEKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067732
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)C	PC-id_20253938,SCHEMBL10817779	309.359	NJBJNPWWPABWJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067733
Fc1cc(ccc1C)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318015222	309.359	DYZNFOPLZNDKMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067734
Fc1cccc(c1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318521	309.359	PIMRIDZMUPRXNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067735
Fc1ccc(cc1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318557	309.359	MRQSLTYIBHBNRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067736
Fc1ccccc1CS(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318307567	309.359	MAKHJHMKHIYSQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067737
Fc1ccc(cc1C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318872240	309.359	KZPIOXJUNRWDJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067738
Fc1ccc(cc1)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319000529	309.359	FHGFJZURLPLXAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067739
Fc1cccc(c1C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319853301,MCULE-1168930497	309.359	HYRASDHCUHXBMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067740
Fc1cccc(c1)CS(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-4137656138,EMOLS-id_319858081	309.359	RQGIIEHISUMGPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067741
Fc1ccc(cc1S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_318063310,MCULE-8218881500	309.359	RYDCZRMWUMYECV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067742
Fc1ccc(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101320457	309.359	COTXRPSQVKYUPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067743
Fc1ccc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_318538032	309.359	TYZQHZAHUFGOME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067744
Fc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	MCULE-8712514398,EMOLS-id_319909028	309.359	XDXJJSPOHWPTEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067745
O=C1CC(C1)(CNC(=O)c1occ2c1CCC2)c1ccccc1	EMOLS-id_318663715	309.359	ZDRPIRSYHPBEGR-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-067746
c12CN(Cc1nn(CC(C)C)c2C(=O)OCC)C(=O)OCC	EMOLS-id_324345455,MCULE-3504528487	309.361	IXRMZKVHPXYGPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067747
c12CN(Cc1nn(CC(C)C)c2C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_324345448,MCULE-8963736457	309.361	XRWWOBUVYCWJDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067748
c1(C(=O)OC(C)(C)C)n(C(C)C)nc2CN(C(=O)OC)Cc12	MCULE-3212857186,EMOLS-id_324346211	309.361	NQGCPXVOBKAIMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067749
C1Oc2c(O1)sc(c2C=Cc1ccccc1)S(=O)(=O)N	PC-id_88178560,SCHEMBL7642795	309.361	VGVVAZAAVFMAKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067750
CCCCCOCC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_177330514,MCULE-6682524305,ZINC22_585128106	309.361	RVSUHLMRZJCKIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067751
CCCCn1cc2C(N(Cc2n1)C(=O)OC(C)(C)C)C(=O)O	MCULE-7036740609,EMOLS-id_259640390	309.361	XCNWGQKZTYTKJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067752
CC(C)(C)OC(=O)N1Cc2nn(cc2C1C(=O)O)C(C)(C)C	EMOLS-id_259640384,MCULE-1889414993	309.361	XDYSAVMGNUBXKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067753
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCNCC1	EMOLS-id_328336281,MCULE-7767734893	309.405	JSVQKEKEROJRSD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-067967
CCNC(=O)OCc1cn2c(c1COC(=O)NCC)CCC2	PC-id_318512,NSC255122,CoCoCo_5560198,LI_176203	309.361	VYPGTSFLRPVAGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067754
CCOC(=O)c1nc2c(n1CC)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380390,PC-id_118614125	309.361	SRZVLLYYNALEDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067755
COC(=O)C(C1Cc2c(C1)nc([nH]2)C)NC(=O)OC(C)(C)C	PC-id_20628118,SCHEMBL8228475	309.361	AOAUNNSPZRVXFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067756
COC(=O)[C@H](c1nc2c([nH]1)CCC2C)NC(=O)OC(C)(C)C	PC-id_102970221	309.361	MVSDKDTVWLDTLT-LYNSQETBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067757
O=S(=O)(c1scc2c1OCO2)N/C=C/c1ccccc1	PC-id_70151623,SCHEMBL7642793	309.361	IWKVNKVCZJUCJM-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067758
S(=O)(=O)(NC=Cc1ccccc1)c1scc2OCOc12	PC-id_77785328	309.361	IWKVNKVCZJUCJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067759
c12CN(Cc1nn(C(C)C)c2C#C)C(=O)OCc1ccccc1	EMOLS-id_324360802,MCULE-7803115166	309.362	XUFPUAYEXYCQGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067760
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1C#N	MCULE-9901812482,EMOLS-id_331004086	309.362	BCCCRDLBUNKUDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067761
COc1cccc(c1)C1=CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318466254	309.362	RGHKLRKDCYZMGP-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-067762
COc1cccc(C2=CCN(C(=O)c3cc4n(n3)CCC4)C2)c1	ZINC22_296684454,EMOLS-id_316874082,MCULE-6718414810	309.362	BTRQRGYICYEPCX-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-067763
N#Cc1cccc(c1)CN1Cc2c(C1)nc(o2)COCC1CC1	PC-id_97520326	309.362	ZQPISLCNNREQGY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-067764
O=C1c2ncnn2C(C1=Cc1ccccc1OC1CCCC1)C	EMOLS-id_278712910	309.362	NBPAWTZJJCMLTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067765
O=C1CC(C1)(C(=O)NC1CC(n2c1ncc2)C)c1ccccc1	EMOLS-id_318324036	309.362	WNMQLZZYJJJPCQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067766
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)NC(C)C)C2)n1	EMOLS-id_316332859,MCULE-6796428606	309.364	KBQKFOWFRFNZGC-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-067767
c1(C(=O)NCCOC)cc2n(CC(NC(=O)NC(C)C)C2)n1	MCULE-9395226010	309.364	KBQKFOWFRFNZGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067768
C1CSc2nc(cn12)C=C1C2N(C1=O)C(CS2)C(=O)O	PC-id_88110350,SCHEMBL7194978	309.364	OTDYZGGNFTUVMW-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-067769
CC(C)(C)OC(=O)NCCC(c1c2N(CCn2nc1)C=O)N	SCHEMBL4199957,PC-id_87633404	309.364	CNVBNWKSTXNNNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067770
CCOC1CC(C1OC)NC(=O)NCc1nnc2n1CCC2	PC-id_75478192,MCULE-1426335580,EMOLS-id_48837580	309.364	ZJQVNNCSHSUDNH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067771
CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)[C@@H]1OC	PC-id_97308200,ZINC22_95942775	309.364	ZJQVNNCSHSUDNH-CWSCBRNRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067772
CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3n2CCC3)[C@H]1OC	ZINC22_242346854	309.364	ZJQVNNCSHSUDNH-GIPNMCIBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067773
CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)[C@H]1OC	ZINC22_242346855	309.364	ZJQVNNCSHSUDNH-OPQQBVKSSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067774
CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3n2CCC3)[C@@H]1OC	ZINC22_95942777,PC-id_97308202	309.364	ZJQVNNCSHSUDNH-BREBYQMCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067775
COC1CN(C(C1)(C)CO)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_318026242	309.364	WCEYGAMVPQCYLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067776
N#CCS(=O)(=O)CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_96694946	309.364	OSRXFTSFAQEZLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067777
O=C(NS(=O)(=O)c1cnccn1)c1cc2c(s1)CCC2	MCULE-5007647283,PC-id_91644487,ZINC22_152451442,EMOLS-id_50334753	309.364	XCBYQVLYAMMHLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-067778
OC(=O)C1CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)SCC2	PC-id_70018350,SCHEMBL7194975	309.364	OTDYZGGNFTUVMW-LUGFMMGCSA-N	00001010100000000001001010000000000000000000000000000000	25-01-067779
OC(=O)C1CS[C@H]2N1C(=O)C2=Cc1cn2c(n1)SCC2	SCHEMBL7194982,PC-id_70018352	309.364	OTDYZGGNFTUVMW-LHIURRSHSA-N	00001010100000000001001010000000000000000000000000000000	25-01-067780
s1c2CCCc2nc1NC(=O)Nc1sccc1C(=O)O	PC-id_63114802	309.364	ABNXUPKUXQTVRA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-067781
Cc1ccc(c2nnc(NCc3c4c(nn3C)CCC4)o2)cc1	EMOLS-id_316936689,MCULE-3304789390,ZINC22_902126193,PC-id_136569657	309.366	HFMPTICEASTODG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067782
CCCNc1ccc(C#N)cc1NC(=O)c1n[nH]c2c1CCC2	ZINC22_78997175,EMOLS-id_43662194,MCULE-6072371436,PC-id_71863903	309.366	MSWDSKUPBCIYRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067783
C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1nnc2n1CCC2	PC-id_94024441,ZINC22_44934582	309.366	GSQKIRCVWVVNPP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067784
C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1nnc2n1CCC2	PC-id_94024442,ZINC22_44934585	309.366	GSQKIRCVWVVNPP-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067785
CN(Cc1[nH]nc2c1CCC2)Cc1onc(c1)c1ccccn1	PC-id_28299299,CoCoCo_1446771,CoCoCo_1446769,CoCoCo_1446770,CoCoCo_1446768	309.366	DNYZSJQBEBQHQR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-067786
CN(C)Cc1nn(C)c2c1CN(C(=O)c1cccc(C#N)c1)C2	EMOLS-id_44369692,PC-id_97519162,ZINC22_96259072	309.366	SBXSEBZORQDBDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067787
CN(C)Cc1nn(C)c2c1CN(C(=O)c1ccc(C#N)cc1)C2	EMOLS-id_44369700,ZINC22_96259076,PC-id_97519166	309.366	BPFOSJVYWXHQEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067788
COc1ccc(cc1)n1ncc(c1)CNC1CCn2c1ncc2	MCULE-9977992476,EMOLS-id_316921169	309.366	IYXHJZWUPDFJED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067789
COc1ccc(n2cc(CN[C@H]3CCn4ccnc34)cn2)cc1	ZINC22_1615571935	309.366	IYXHJZWUPDFJED-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067790
COc1ccc(n2cc(CN[C@@H]3CCn4ccnc34)cn2)cc1	ZINC22_1615571937	309.366	IYXHJZWUPDFJED-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067791
N#Cc1ccc(cc1)CCC(=O)NC(c1nnc2n1CCC2)C	MCULE-3728966632,PC-id_45819129,EMOLS-id_31936178	309.366	GSQKIRCVWVVNPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067792
N#Cc1cccc(c1)CN1Cc2c(C1)c(nn2C)C(=O)N(C)C	PC-id_97461991	309.366	VZASJCZBULEMPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067793
O=C(NCc1nnc2n1CCC2)N1CC=C(c2ccccc2)C1	PC-id_75449862,EMOLS-id_48328137,MCULE-6282182698,ZINC22_95467177	309.366	POFZJIPYFKLNMG-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-067794
c1(C(=O)OC)c2COCc2sc1I	MCULE-5442200351,EMOLS-id_331063841	310.109	YWNCFJJWJRQMID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068341
O=C(NCC#Cc1ccccc1)NCCc1nnc2n1CCC2	MCULE-2710958441,EMOLS-id_48254461,ZINC22_86361805,PC-id_75378320	309.366	WJEUVZRMMHOYJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067795
Cn1ncc2c1CN(C2)S(=O)(=O)c1cnc2n1ccs2	EMOLS-id_319709003	309.367	HYFLEAJGSGMDRO-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-067796
CN(/N=C(/c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C)N)N	PC-id_145281983	309.367	CZQYIZOTOTWYGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067797
N#Cc1c(NC(=O)CN2CSCC2=O)nc2n1CCS2	EMOLS-id_98896205	309.367	HCJNGSYFDYJPFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067798
N/N=C(/c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C)N(N)C	PC-id_145281951	309.367	GFFIUXGXJFHZQK-BOPFTXTBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067799
s1c2c(CCC2)c(c1NS(=O)(=O)c1c([nH]nc1)N)C#N	PC-id_61107640	309.367	LROLAWDCCKRWBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067800
CC1CC(c2n1ncn2)NCc1ccc(cc1)Cn1ncnc1	EMOLS-id_318985893	309.369	FCHLNQIXYRIXFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067801
s1c2CCCc2cc1CNCc1ccc(OC(F)F)cc1	PC-id_61208931	309.374	RUXQCSRANWKZQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067802
s1c2c(CCC2)cc1C(NC)c1c(F)cc(OC)cc1F	PC-id_60965864	309.374	YBQIRUJBQKOZPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067803
s1c2c(CCC2)cc1CNCc1c(OC(F)F)cccc1	PC-id_61208549	309.374	FJXHYIHPSRGDKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067804
s1c2c(CCC2)cc1CNCC(O)c1cc(F)c(F)cc1	PC-id_61207785	309.374	VPVPSTZPEFIRIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067805
s1c2c(CCC2)cc1CNCC(O)c1c(F)cccc1F	PC-id_61207786	309.374	STCLMEDEPUKQAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067806
s1c2c(CCC2)cc1CNCC(O)c1c(F)ccc(F)c1	PC-id_61207603	309.374	QEMDHFPRLYNOJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067807
s1c2c(CCC2)cc1CNCC(O)c1c(F)cc(F)cc1	PC-id_61207602	309.374	PTMLSHUHEQOEJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067808
s1c2c(CCC2)cc1C(O)C(CN)c1cc(F)cc(F)c1	PC-id_65189184	309.374	RRAAVUHIBCNBRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067809
s1c2c(CCC2)cc1C(O)C(CN)c1c(F)cc(F)cc1	PC-id_65189480	309.374	PQQKSAJVZOSUOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067810
OC(=O)C1CCc2c1nc(s2)CSc1ccccc1F	PC-id_104287257	309.379	MGSWNOIUHIXJKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067811
OC(=O)C1CCc2c1nc(s2)CSc1cccc(c1)F	PC-id_104287281	309.379	OXYRSCFOLPCQPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067812
OC(=O)C1CCc2c1nc(s2)CSc1ccc(cc1)F	PC-id_104287375	309.379	UUORLDKKIAKQPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067813
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)OCC	BAS-04282249,MCULE-9719942892,ChEMBL-DNDi_CHEMBL1333942,PC-id_2791251,EMOLS-id_1447425,CHEMBL1333942,TIMTEC588019,SPECS-id_AK-968/12971289	309.381	ZBQJHZDILQUELR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067814
CCC1OCCC1C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_105733939	309.381	GHCZQQCJKRAKFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067815
CCOC(=O)c1c(C)cn2c1SC(C2=CC(=O)OC)(C)C	PC-id_139819445	309.381	VWAJTFZHVNKXTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067816
CCOC(=O)c1c(NC(=O)CCC(=O)C)sc2CCCc12	PC-id_65418240,MCULE-2128524881,EMOLS-id_327880718	309.381	FUJGUEXRALTIPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067817
CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	CoCoCo_315528,PC-id_705949,ZINC22_91634	309.381	ZBQJHZDILQUELR-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067818
CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	ZINC22_91637,PC-id_705950,CoCoCo_315529	309.381	ZBQJHZDILQUELR-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-067819
CCOC(=O)C=C1CSc2n1cc(c2C(=O)OC(C)C)C	PC-id_139819487	309.381	YKEJFZDODBJRMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067820
COC1(CCC1)CC(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_103555512	309.381	XWRAOUQQBPIZET-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-067821
COC1CC(N(C1)C(=O)c1sc2c(c1)CCC2)CC(=O)O	PC-id_121964738	309.381	OUOBEPNRCSAACM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067822
COCC1(CCN(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O	MCULE-8539541842,PC-id_121650492,EMOLS-id_71398234	309.381	JJCSQHOCRWORCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067823
O=C(c1sc2c(c1)CCC2)NC(C1CCCOC1)C(=O)O	EMOLS-id_72351018,MCULE-1700854906,PC-id_120547880	309.381	CIUUBADIDMGDEJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067824
O=C(c1sc2c(c1)CCC2)NCC1(CCOCC1)C(=O)O	PC-id_115438378,MCULE-5061057489,EMOLS-id_57200167	309.381	JBOLPAWSOADBRZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067825
O=C(COC(=O)c1cc2c(s1)CCC2)NC[C@@H]1CCCO1	ZINC22_5308690,PC-id_7623857,CoCoCo_2840971	309.381	JGXXWBULXMAWLE-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-067826
O=C(COC(=O)c1cc2c(s1)CCC2)NC[C@H]1CCCO1	ZINC22_5308696,CoCoCo_2840972,PC-id_7623860	309.381	JGXXWBULXMAWLE-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067827
O=C(COC(=O)c1sc2c(c1)CCC2)NCC1CCCO1	MCULE-2695887161,PC-id_4829010,EMOLS-id_3478563	309.381	JGXXWBULXMAWLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067828
OC(=O)CC1(CCOCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_72267207,MCULE-4351551500,PC-id_119214736	309.381	XXHSFVFEARWRRX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067829
O=C(O)CN(C(=O)c1cc2c(s1)CCC2)C1CCOCC1	MCULE-9772341463,ZINC22_238112262,EMOLS-id_52140675	309.381	HIHMKTQHDQZYHK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067830
s1c2c(CCC2)cc1C(=O)N1CCC(OCC(=O)O)CC1	PC-id_63870393	309.381	LBQKXHOJLWZGCT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067831
s1c2c(CCC2)cc1C(=O)N1CC(OCC1)CC(=O)OC	PC-id_79812912	309.381	QHYSKYLYWMBUGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067832
s1c2c(CCC2)cc1C(=O)N(C1C(COC1)C(=O)O)CC	PC-id_66246624	309.381	MINKFPXWUJGWRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067833
s1c2c(CCC2)c(c1NC(=O)CC1OCCCC1)C(=O)O	PC-id_80366349	309.381	YPZXKDWEMRBDGJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-067834
s1c2c(CCC2)c(c1NC(=O)CCC1OCCC1)C(=O)O	PC-id_43359877	309.381	YMGFVMORAWYUSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067835
c1(CN(Cc2ccco2)S(=O)(=O)C)c2CCCc2n(C)n1	PC-id_86266550,MCULE-5699754203,EMOLS-id_50145272	309.384	MGPPSNAAHLGCEZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-067836
c1(NC(=O)CCNC(=O)C)sc2c(CCC2)c1C(=O)NC	MCULE-2651966667,EMOLS-id_334332114	309.384	NMUFFGGYMMSWIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067837
c1(NC(=O)CN2CCOCC2)sc2c(CCC2)c1C(=O)N	PC-id_675342,CHEMBL1302534,TIMTEC33562,SCHEMBL8289801,CoCoCo_1766744,MCULE-5909972122,EMOLS-id_3062375,ZINC22_19791883	309.384	GNHVOJOKJJKBBJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067838
c1(NC(=O)C(=O)NCC(C)C)sc2c(CCC2)c1C(=O)N	STOCK6S-10519,MCULE-8236129155,ZINC22_6719660,EMOLS-id_4740402,PC-id_8056989	309.384	AWVWVRBZFRHYDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067839
c1(sc2c(CCC2)c1C(=O)OC)NC(=O)N1CCNCC1	MCULE-3863027415,ZINC22_9340658,PC-id_16422641,STOCK6S-26946,EMOLS-id_4766573	309.384	JEISZQYFPNRODC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067840
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(CCOC)C1	EMOLS-id_323376041,MCULE-6043480440	309.384	ANTVCUALUPVHKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067841
CC1CC(CCN1C(=O)Nc1sc2c(n1)CCC2)C(=O)O	PC-id_106744134	309.384	WGUWKAKQUIRTGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067842
CC1CCN(C(C1)C(=O)O)C(=O)Nc1sc2c(n1)CCC2	PC-id_114425402	309.384	XGHPZPXUTHSURN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067843
CCOC(=O)C1CCc2c1nc(s2)NC1CCCNC1=O	PC-id_104288571	309.384	QYYFUICUYLDXMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067844
CCOC(=O)C1CCc2c1nc(s2)NC1CCC(=O)NC1	PC-id_104288723	309.384	CQKOMUYNZLNQNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067845
CCOC(=O)C1CCc2c1nc(s2)NC1CCN(C1=O)C	PC-id_106259384	309.384	MIEZTJVDXOXGEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067846
CCOC(=O)C1CCc2c1nc(s2)NCC1CCC(=O)N1	PC-id_104288935	309.384	ABFSXOLCXQEXQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067847
CCOC(=O)C1CCc2c1nc(s2)NCC(=O)NC1CC1	PC-id_104287969	309.384	SVHJSADGRBRSQC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067848
CN1CCN(C(=O)Nc2sc3c(c2C(=O)O)CCC3)CC1	CHEMBL4473448	309.384	RLPLVRIFBUDBAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067849
CNCc1c2CN(C(=O)c2cs1)C(CCC=O)C(=O)NC	SCHEMBL20329380,PC-id_135178690	309.384	LLGIAZUPYHQUCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067850
COCCN1Cc2c(C1)nc(o2)COCc1csc(n1)C	PC-id_97406056	309.384	HPKANZDDRUXLBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067851
O=C(C1CCC2C(C1)C2)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112095650	309.384	NMQVYSBAUOYRTG-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-067852
O=C(C(C1CC1)C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481301	309.384	VJXSOFKRCCSHGL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067853
O=C([C@@H]1C[C@H]1C1CCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112100216	309.384	TUNXAGYCRYHUOP-WDEREUQCSA-N	00101010100000000001100010000000000000000000000000000000	25-01-067854
O=C(N1CCCCC1(C)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_104598064	309.384	BEENMDVGARMVHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067855
O=C(N1CCCC(C1C(=O)O)C)Nc1sc2c(n1)CCC2	PC-id_107071478	309.384	OFWHEEGCPNUBPC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067856
O=C(NC1CC1)CCCNc1nc2c(s1)CCC2C(=O)O	PC-id_104289045	309.384	IQKKXZXOCUQHGU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-067857
O=C(NC1(C)CCOC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_319670430	309.384	CBYOKLRSAUKGIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067858
O=C(Nc1sc2c(c1C(=O)N)CCC2)NC[C@@H]1CCCO1	CoCoCo_6463153,PC-id_35572146	309.384	MNAUYBKEAUXKRH-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067859
O=C(Nc1sc2c(c1C(=O)N)CCC2)NC[C@H]1CCCO1	PC-id_35572148,CoCoCo_6463154	309.384	MNAUYBKEAUXKRH-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067860
O=C(Nc1sc2c(n1)CCC2)NCC1(CCCC1)C(=O)O	PC-id_115434167	309.384	ZRUHBBMMTDKNOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067861
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCC2C1C2	EMOLS-id_112079642	309.384	ZJFAROAIWLJKKK-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-067862
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCC=C1	EMOLS-id_110435704	309.384	BIPMUPMECJOTLB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-067863
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1=CCCCC1	EMOLS-id_110435747	309.384	UKXGLORBAQOXFJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-067864
OC(=O)C1CCc2c1nc(s2)NCCC(=O)N1CCCC1	PC-id_104436174	309.384	DAWAILABYGVGDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067865
OC(=O)C1CCc2c1nc(s2)NC(C(=O)N1CCCC1)C	PC-id_104410347	309.384	KYQBHCOTKFZGJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067866
OC(=O)C1CCc2c1nc(s2)NCC(=O)N1CCCCC1	PC-id_104387762	309.384	YMLXXYOBRWNZCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067867
s1c2c(CCC2)c(c1NC(=O)NCC1OCCC1)C(=O)N	PC-id_45154820	309.384	MNAUYBKEAUXKRH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-067868
s1c2CCCc2nc1NC(=O)N1CC(CC1)(CC)C(=O)O	PC-id_63146969	309.384	QAACKUONWODFGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067869
s1c2CCCc2nc1NC(=O)N1CC(CC1)CCC(=O)O	PC-id_81709936	309.384	CENFYKZUZDKKFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067870
s1c2CCCc2nc1NC(=O)N1C(CCC1)(CC)C(=O)O	PC-id_83062678	309.384	HGRFDJPADBZCKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067871
s1c2CCCc2nc1NC(=O)N1C(CCCC1)CC(=O)O	PC-id_61510416	309.384	UYIVKXQHJZHHID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067872
s1c2CCCc2nc1NC(=O)N1CC(CCC1)CC(=O)O	PC-id_62676283	309.384	QSVRNQQOICRJBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067873
s1c2CCCc2nc1NC(=O)N1CCC(CC1)(C)C(=O)O	PC-id_63124144	309.384	JQHWBWRLVXTHGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067874
s1c2CCCc2nc1NC(=O)N1CC(CCC1)(C)C(=O)O	PC-id_63136816	309.384	KVSSJFRAGDSKDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067875
s1c2CCCc2nc1NC(=O)N1CCC(CC1)CC(=O)O	PC-id_79612217	309.384	OJWNVQSIOULTNC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067876
s1c2CCCc2nc1NC(=O)N1C(CCCCC1)C(=O)O	PC-id_64564683	309.384	WFOMAJUFLKKUFN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-067877
s1c2CCCc2nc1NC(=O)N(C1CCCC1)CC(=O)O	PC-id_61510373	309.384	HGECODLMZMFEPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067878
s1c2CCCc2nc1NC(=O)NC1(CCCC1)CC(=O)O	PC-id_64700490	309.384	PSOPWIKQNALMTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067879
s1c2CCCc2nc1NC(=O)NC1C(CCC1)(C)C(=O)O	PC-id_82764724	309.384	OZDOSFUMPSUILX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067880
s1c2CCCc2nc1NC(=O)NC1(CCCCC1)C(=O)O	PC-id_61510086	309.384	OAJAFXPKARLXGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067881
s1c2CCCc2nc1NC(=O)NC1CCC(CC1)C(=O)O	PC-id_61510260	309.384	MYWMKFIOAWGYQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067882
s1c2CCCc2nc1NC(=O)NC1CC(CCC1)C(=O)O	PC-id_63043922	309.384	GRMDWVUDJVYQSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067883
s1c2CCCc2nc1NC(=O)NC1C(CCCC1)C(=O)O	PC-id_64817316	309.384	QIFPTLVAAYZXRN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067884
s1c2CCCc2nc1NC(=O)NCC1(CCC1)CC(=O)O	PC-id_81157097	309.384	LVPRXWMVGNFHLD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-067885
s1c2CCCc2nc1NC(=O)NCC1C(CCC1)C(=O)O	PC-id_65897501	309.384	FCPURFCHVLPPNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067886
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)n1cccc1	MCULE-6399087118,EMOLS-id_181475397,PC-id_33040153	309.385	LQSZRSDKJOIJOZ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-067887
C(=C(C)c1ccccn1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1664938556	309.385	WAPJWNPALRFXDY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067888
C(=C(C)c1cccnc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7421122405	309.385	OKTUVJYDCDAKHE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067889
C(=C(C)c1ccncc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5286247508	309.385	MYQZENLVIHJYJF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067890
O=C(c1cccc(c1)n1cccc1)Nc1sc2c(n1)CCC2	GD-id_ZINC25768517	309.385	DRGXBQSTIQYBKT-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-067891
O=C(Nc1ccc(c2ncc[nH]2)cc1)c1cc2c(s1)CCC2	MCULE-9808890439,ZINC22_162709006,EMOLS-id_177262549	309.385	PYXUAXXOPQQTAW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067892
O=C(Nc1ccccc1n1ccnc1)c1cc2c(s1)CCC2	ZINC22_65520987,PC-id_53511232,EMOLS-id_35729382,MCULE-6769049877	309.385	INTDHNJHDVJYRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067893
O=C(Nc1cccc(c2ccn[nH]2)c1)c1cc2c(s1)CCC2	MCULE-4418309252,EMOLS-id_276245337,ZINC22_24887024	309.385	RBZHOEYMXHBAQR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067894
O=C(Nc1cccc(c2cn[nH]c2)c1)c1cc2c(s1)CCC2	ZINC22_128832445,EMOLS-id_276222395,MCULE-8903950972	309.385	WJNDDMOALAGTEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067895
C/C(=CC(=O)Nc1sc2CCCc2c1C#N)/c1ccccn1	EMOLS-id_328132844	309.386	WAPJWNPALRFXDY-PKNBQFBNSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067896
C/C(=CC(=O)Nc1sc2CCCc2c1C#N)/c1cccnc1	EMOLS-id_328092413	309.386	OKTUVJYDCDAKHE-DHZHZOJOSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067897
C/C(=CC(=O)Nc1sc2CCCc2c1C#N)/c1ccncc1	EMOLS-id_328117502	309.386	MYQZENLVIHJYJF-PKNBQFBNSA-N	00000010100000101000000010000000000000000000000000000000	25-01-067898
N#Cc1cccc(c1)C1(CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318577173	309.386	KGPZBUMEHUMEDU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067899
N#Cc1ccc(cc1)C1CC1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318720070	309.386	GNLGANAZYQQRTJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067900
N#Cc1cccc(c1)[C@@H]1C[C@H]1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318439851	309.386	SUKPMAIAENLBKZ-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067901
N#Cc1ccc(cc1)/C(=N/NC(=O)c1sc2c(c1)CCC2)/C	GD-id_ZINC46193572	309.386	JKVVCIHDCNFFRX-YBFXNURJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067902
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccnc2)sc2c1CCC2	EMOLS-id_318582832	309.386	QTHNKPOUNBPTDP-QWHCGFSZSA-N	00100010100000101000100010000000000000000000000000000000	25-01-067903
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccncc2)sc2c1CCC2	EMOLS-id_318588131	309.386	ZPYGVAAHOKXBLM-QWHCGFSZSA-N	00100010100000101000100010000000000000000000000000000000	25-01-067904
s1cc(c2ccc(C(=O)Nc3n[nH]c4CCCc34)cc2)cc1	PC-id_9857829	309.386	HVSXVDQKRIWSQJ-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-067905
c1(cn(C)c(C)n1)S(=O)(=O)NCc1c2CCCc2nn1C	ZINC22_225819413,EMOLS-id_53884735,MCULE-2418404029,PC-id_91819433	309.387	SFPKBFWFPOAQME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067906
Cc1nn(c(c1CNS(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_100218340	309.387	CYIICWZKJHFZQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067907
Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc2n(n1)CCC2	MCULE-7142536222,ZINC22_585115239,EMOLS-id_177323405	309.387	SBLOXWLAASZNQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067908
CCc1nn(cc1S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318847789	309.387	XZFPGRNVCTXXCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067909
CCCc1nn(c(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97700483	309.387	RFIJYQWNNLBRSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067910
CC(Cc1n[nH]c(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97700132	309.387	KSNFGRSZUALKOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067911
CC(Cn1ncc(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100969033	309.387	RTBMKKZSCVXSCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067912
CC(Cn1nccc1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97699610	309.387	HFMNZFIEYHKJHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067913
C[C@@H](NC(=O)CCN1CCSC1=O)c1nnc2n1CCC2	PC-id_93874232,ZINC22_42536388	309.387	VGUNFSXIYKEZIJ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067914
C[C@H](NC(=O)CCN1CCSC1=O)c1nnc2n1CCC2	ZINC22_42536385,PC-id_93874231	309.387	VGUNFSXIYKEZIJ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-067915
CCn1cc(nc1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318470	309.387	DOPXRSQGQZEEHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067916
CCn1cc(nc1C)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98534479	309.387	GHORZZIWVVVPRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067917
CCn1cc(nc1C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319696023	309.387	KUSUBGCECMKAQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067918
CC(n1cnc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101318479	309.387	OGMJBIMSRXXAHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067919
CC(n1cnc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320256922,MCULE-3142486603	309.387	KIOHVMSLZZHUSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067920
CCn1nc(c(c1C)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100967803	309.387	GTBUNCKFNGEFCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067921
CC(n1nc(cc1C)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_102026029	309.387	ZZVNAAXHADXZPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067922
CC(n1ncc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101318536	309.387	XPWBJXCMEKWSDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067923
CC(n1ncc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	MCULE-5635948343,EMOLS-id_319912539	309.387	ZCHFTWADDSSDLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067924
Cn1nc2c(c1NS(=O)(=O)c1ncn(c1)C(C)C)CCC2	EMOLS-id_98227952	309.387	RRBMGNZAODYLES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067925
Cn1nc(c(c1)C(NS(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_100222177	309.387	VHBYGJIHWXBGEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067926
CN(Cc1nnc2n1CCC2)C(=O)CCN1CCSC1=O	ZINC22_48234355,EMOLS-id_31936724,PC-id_51114995,MCULE-1612520791	309.387	ZTXXJEVGHLNIPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067927
O=C1NCCN(C1C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99906114	309.387	QHWCZQKDPQXDBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-067928
O=C1NCCN(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99893144	309.387	QDIOUPLINWAKMB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-067929
O=C(NC(c1nnc2n1CCC2)C)CCN1CCSC1=O	PC-id_53523526,MCULE-6555992722,EMOLS-id_36268870	309.387	VGUNFSXIYKEZIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067930
O=S(=O)(c1cnc2n1CCC2)Nc1cnn(c1)C(C)(C)C	EMOLS-id_100457122	309.387	PAELRGMNSGRKFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067931
CCCCOC(=C)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_143928396	309.402	DFEBBNFKEMLVMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-067932
CC(CC(c1nc2c([nH]1)COC2C)NC(=O)OC(C)(C)C)C	PC-id_102970406	309.404	JDLFBBXSMMSKCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-067933
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)OC	PC-id_41323318	309.404	HVMQGRMSKNICIV-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-067934
c1(cn2c(CCC2)n1)C(=O)N1CCC(CC1)Cc1ccccc1	EMOLS-id_321297879,MCULE-4762219911	309.405	NXZCPJRIIMPDHJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-067935
c1(C(=O)N2CCC(CC2)Cc2ccccc2)c2CCCc2n[nH]1	EMOLS-id_49408523,PC-id_71708215,ZINC22_49679145,EMOLS-id_48564922,STOCK7S-41445,MCULE-1752187400	309.405	IPPGWAQQMGWQMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-067936
c1(C(=O)N2CCCC(c3ccccc3)CC2)c2CCCc2[nH]n1	MCULE-8374544954,EMOLS-id_49887535,PC-id_77090678	309.405	PQKGAUREBYUGKW-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-067937
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccccc1C1CC1	EMOLS-id_331020731,MCULE-4939014558	309.405	VVHGMKGAHGXLTO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067938
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)C1CC1	MCULE-6124342496,EMOLS-id_331020471	309.405	FLAIVCXGQXKDTQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067939
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(c1)C1CC1	MCULE-6664279262,EMOLS-id_331018682	309.405	MDWFWZDZVNUUHQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067940
c1(C(=O)NCC2(c3ccccc3)CC2(C)C)c2CCCc2[nH]n1	MCULE-1180577417,PC-id_77088037,EMOLS-id_49882987	309.405	NWLIEFFCGPIRIH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067941
CC1(C)C[C@]1(CNC(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_99935639,ZINC22_215719937	309.405	NWLIEFFCGPIRIH-IBGZPJMESA-N	00100010100000110001100010000000000000000000000000000000	25-01-067942
CC1(C)C[C@@]1(CNC(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_215719892,PC-id_99935636	309.405	NWLIEFFCGPIRIH-LJQANCHMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067943
Cc1ccc(cc1)C1(CCC1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318369724	309.405	VHZIBMGSKROLKM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067944
Cc1cccc(c1)C1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320273724,MCULE-3539360841	309.405	RFZMPFUBVINOFN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067945
Cc1cccc(c1)C1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319168901	309.405	AULJBNGRWKKLNN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067946
Cc1cccc(c1)C1(CCCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318474152	309.405	IEYYUQJORPOREX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067947
Cc1cccc(c1)C1(CCCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318625061	309.405	AEVVWQUUSCWNLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067948
Cc1ccc(cc1)C1CCCC1NC(=O)c1cnn2c1CCC2	EMOLS-id_318715475	309.405	GYLANKRQUDCPCZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067949
Cc1cccc(c1)C1(CCCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318477300	309.405	WLZVLEFYGYEDNH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067950
Cc1ccc(cc1)C1CCCC1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318541046	309.405	UCBVTFDIXYBZAF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067951
Cc1cc(C)cc(c1)C1(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318473644	309.405	SFZHPFJMFRUCMW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067952
Cc1cc(C)cc(c1)C1(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319578225	309.405	MSYHKWKGAISQBK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067953
CC1C(CCN1C(=O)c1n[nH]c2c1CCC2)Cc1ccccc1	EMOLS-id_318738892	309.405	JTGHKWMKRWQNLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067954
CC1(C)CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1ccccc1	ZINC22_450177701	309.405	MULHCAJHSSOSTE-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067955
CC1(C)CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1c1ccccc1	ZINC22_450177702	309.405	MULHCAJHSSOSTE-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067956
CCc1ccc(cc1)C1CCN(C1)C(=O)c1cnn2c1CCC2	MCULE-3877072552,EMOLS-id_316896361	309.405	WIAKDROLZSWDQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067957
CCc1ccc(cc1)C1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318582740	309.405	SSTPKJSRTMCECN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067958
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319212064	309.405	JTEZNLBBKPPSGD-DLBZAZTESA-N	00100010100000110001100010000000000000000000000000000000	25-01-067959
CCc1ccc([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)cc1	ZINC22_295437546	309.405	WIAKDROLZSWDQL-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067960
CCc1ccc([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)cc1	ZINC22_295437550	309.405	WIAKDROLZSWDQL-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067961
CC(C1CCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_318678473	309.405	LYRWRFIGAZANCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067962
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004854,MCULE-2252256372	309.405	SOCJCPPVESKQDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067963
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C#N	MCULE-1585827664,EMOLS-id_331004342	309.405	SLXXYPXXRWHBFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067964
CN(C(=O)c1n[nH]c2c1CCC2)C1CCCC1c1ccccc1	EMOLS-id_318524393	309.405	HGUHRMCIHORLAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067965
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1C#N	MCULE-8047428747,EMOLS-id_331003578	309.405	XQNXYPFNJUJQQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067966
O=C(C1(CC1(C)C)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318702399	309.405	MDZNMTDHHPOWTR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-067968
O=C(c1cc2n(n1)CCC2)NC(c1ccccc1)CC1CCC1	EMOLS-id_318082800	309.405	ARXGSLYBQSQSCE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-067969
O=C(C1(CCC1)c1ccccc1C)NCc1cnc2n1CCC2	EMOLS-id_319416483	309.405	DVCBVMCKKKWRHK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067970
O=C(C1(CCC1)c1ccccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319469965	309.405	AKFHAUHDXLOQHT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067971
O=C(C1(CCC1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319855783,MCULE-9798638965	309.405	ZJXLUXRWJCWVAJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-067972
O=C(C1(CCCC1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319957341,MCULE-5920161730	309.405	MVNXSNRUYMATKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067973
O=C(C1(CCCC1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319703910	309.405	YRWJESTTZWJRIS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067974
O=C(c1cnc2n1CCC2)NC1(CC1)C(c1ccccc1)(C)C	EMOLS-id_318629003	309.405	JWSXMBUKLFARQW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-067975
O=C(c1cnc2n1CCC2)NC1CCC(CC1)c1ccccc1	EMOLS-id_318463464	309.405	XFZFYZUFKQYQLX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-067976
O=C(c1cnc2n1CCC2)NC1CCCC(C1)c1ccccc1	EMOLS-id_318471128	309.405	BBODZVNDWJRKRM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-067977
O=C(c1cnc2n1CCC2)NCC1(CCC1)Cc1ccccc1	EMOLS-id_318308712	309.405	BMAAYCPZKGUQGL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-067978
O=C(c1cnn2c1CCC2)NC1CCCC(C1)c1ccccc1	EMOLS-id_318715405	309.405	YOSVVBKQTDUVNH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-067979
O=C(c1cnn2c1CCC2)NC1CCC(CC1)c1ccccc1	EMOLS-id_318733362	309.405	RWYVFEDKYPKLTF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-067980
O=C(c1nn2c(c1)CCC2)N1CC(C(C1)(C)C)c1ccccc1	MCULE-1332774264,EMOLS-id_316870496	309.405	MULHCAJHSSOSTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067981
O=C(c1nn2c(c1)CCC2)NC1CCCC(C1)c1ccccc1	EMOLS-id_318537914	309.405	XDHBRNDNPFZHDN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-067982
O=C(c1nn2c(c1)CCC2)NC1CCC(CC1)c1ccccc1	EMOLS-id_318567699	309.405	QSNPBPJXCPIPMT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-067983
O=C(c1n[nH]c2c1CCC2)N1CCCC1CCc1ccccc1	EMOLS-id_318627324	309.405	WXHOGDKDVNCRCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067984
O=C(c1n[nH]c2c1CCC2)N1CCCCC1Cc1ccccc1	ASN-20316140	309.405	SIYQHIDLTHUXDR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-067985
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)Cc1ccccc1	EMOLS-id_318568762	309.405	INSGJAVEXSJXEH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-067986
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2ccccc2)CC1	ZINC22_215933443,PC-id_99940416	309.405	PQKGAUREBYUGKW-OAHLLOKOSA-N	00000010100000110101100010000000000000000000000000000000	25-01-067987
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2ccccc2)CC1	ZINC22_215933494,PC-id_99940417	309.405	PQKGAUREBYUGKW-HNNXBMFYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-067988
O=C(c1n[nH]c2c1CCC2)N(C1CC1)Cc1ccc(c(c1)C)C	EMOLS-id_318488444	309.405	FNZRHPBCEWDIJB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-067989
O=C(c1n[nH]c2c1CCC2)NC1CCC(C1)Cc1ccccc1	EMOLS-id_100161147	309.405	ZKCGAPVLPZGLIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067990
O=C(c1n[nH]c2c1CCC2)NC1(CCCC1)Cc1ccccc1	EMOLS-id_99452495	309.405	ZVTIJVCNNIBJFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067991
O=C(c1n[nH]c2c1CCC2)NC1CCCC1Cc1ccccc1	EMOLS-id_99471886	309.405	HOXFBCYEOWPWOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-067992
O=C(c1n[nH]c2c1CCC2)NC1CCC(CC1)c1ccccc1	EMOLS-id_98018253	309.405	DPXJWSOJEJEJQH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-067993
O=C(c1n[nH]c2c1CCC2)NC1CCCCC1c1ccccc1	EMOLS-id_98462640	309.405	UZOAIIQZGRSGKI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-067994
O=C(CC1CC(C1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318941733	309.405	VGHFOMKLQUWUEN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067995
O=C(Cc1ccc(cc1)C1CCC1)NCc1cnc2n1CCC2	MCULE-9010827180,EMOLS-id_320147867	309.405	ASGWISIWINMJFH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067996
O=C(Cc1ccc(cc1)C1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318847473	309.405	JWAHHJUDKFDKEO-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-067997
O=C([C@@H]1CC[C@H](C1)c1ccccc1)NCc1cnc2n1CCC2	MCULE-9584968873,EMOLS-id_320037731	309.405	GFMUDRILVAJVIN-HZPDHXFCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067998
O=C([C@@H]1CC[C@H](C1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320027750,MCULE-7743466653	309.405	SFVWMHRQKIPDSN-HUUCEWRRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-067999
O=C([C@@H]1C[C@H]1c1ccc(c(c1)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318695097	309.405	MYAWVSORMCEOCM-JKSUJKDBSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068000
O=C([C@@H]1C[C@H]1c1ccc(c(c1)C)C)NCc1cnc2n1CCC2	EMOLS-id_319177574	309.405	SHVIOBMBJMWEHB-DLBZAZTESA-N	00100010100000110001100010000000000000000000000000000000	25-01-068001
O=C([C@@H]1C[C@H]1c1ccc(c(c1)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318828437	309.405	PPSVSVYYOIFMSU-JKSUJKDBSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068002
O=C(N1CCCC1(C)Cc1ccccc1)c1n[nH]c2c1CCC2	EMOLS-id_318621078	309.405	SRDOHEDPXZNFKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068003
O=C(N1CCC[C@H]1CCc1ccccn1)c1[nH]c2c(c1)CCC2	MCULE-1930874351,EMOLS-id_320002059	309.405	FVBKGCSTMIBKEH-INIZCTEOSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068004
O=C(NCC1(Cc2ccccc2)CCC1)c1n[nH]c2c1CCC2	ZINC22_134374923,EMOLS-id_320404783,MCULE-2239477859,PC-id_139005593	309.405	KKDSUTUVXUSFOV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-068005
c12SCC(CS(=O)(=O)c3ccc(C)cc3)n1nc(C)n2	MCULE-4429606348,EMOLS-id_10103997,PC-id_16484733	309.407	GCSQWDHRRLMRIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068006
c12SCCn1cc(CNC(=O)c1ccc(COC)s1)n2	MCULE-8370392725,EMOLS-id_49663750,PC-id_74242285,ZINC22_97636586	309.407	WVLHQRHGVNQBRP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-068007
Cc1ccc(S(=O)(=O)C[C@@H]2CSc3nc(C)nn23)cc1	CoCoCo_6317249,ZINC22_9614809,PC-id_41145433	309.407	GCSQWDHRRLMRIO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-068008
Cc1ccc(S(=O)(=O)C[C@H]2CSc3nc(C)nn23)cc1	CoCoCo_6317250,ZINC22_9614810,PC-id_41145434	309.407	GCSQWDHRRLMRIO-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068009
CCc1cnc(s1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105923082	309.407	INNUBPNBJQYIGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068010
CCC(c1nccs1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288915	309.407	OKYAJDFNSAQZDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068011
CCC(C(CNC(=O)NCCc1nnc2n1CCC2)O)CC	PC-id_112045986	309.407	GXQOQRGAVPZSQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068012
CC(NC(c1nnc2n1CCC2)C)CNC(=O)OC(C)(C)C	PC-id_103388987	309.407	UGHPGBANMCFVNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068013
CCOC(=O)C1CCc2c1nc(s2)NCc1cncs1	PC-id_116388227	309.407	IZFFJXOWOGPVOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068014
CCOC(=O)C1CCc2c1nc(s2)NCc1cscn1	PC-id_104288737	309.407	WULYHRJPBPJIPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068015
CCOC(=O)C1CCc2c1nc(s2)NCc1nccs1	PC-id_104288258	309.407	AKSDJPNLEKYBLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068016
COC(=O)c1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_103378438	309.407	PTECYRKJVWAOTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068017
CS(=O)(=O)c1ccc(nc1)NCc1sc2c(n1)CCC2	MCULE-4591193358,EMOLS-id_318681801	309.407	KSHMNMINDUQYON-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068018
CS(=O)(=O)c1cccnc1NCc1sc2c(n1)CCC2	MCULE-9690275836,EMOLS-id_318432875	309.407	VAJIIQJRMWDXFQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068019
CS(=O)(=O)c1ccc(NCc2nc3c(s2)CCC3)cn1	EMOLS-id_49316345,MCULE-6865826870,ZINC22_97115590,PC-id_75506129	309.407	LTDKBAMICYWSEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068020
NCc1cccc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053354	309.407	PVYSDRVOQLJBCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068021
NCc1ccccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053364	309.407	VPKJIAXHWSMYQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068022
OCCC(CNC(=O)NCc1nnc2n1CCC2)(CC)CC	PC-id_111504337	309.407	LYFDKOLJTDTNOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068023
OCCCN(C(=O)NCc1nnc2n1CCC2)CC(C)(C)C	PC-id_111106471	309.407	CGNKYPNDQXRFFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068024
O=C(C(=S)NC1CC1)Nc1sc2c(c1C(=O)N)CCC2	MCULE-9014447379,PC-id_17388958	309.407	KEFBWUQXQYDXEI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-068025
OC(=O)C1CCc2c1nc(s2)N(Cc1csc(n1)C)C	PC-id_104288226	309.407	CDWSSRGVKKOTLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068026
OC(=O)C1CCc2c1nc(s2)NC(c1ncc(s1)C)C	PC-id_104289256	309.407	QLIVDTDOVZHIHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068027
OC(=O)C1CCc2c1nc(s2)NC(c1nccs1)(C)C	PC-id_105944924	309.407	CBZOXCYZLDHDSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068028
OC(=O)C1CCc2c1nc(s2)NC(c1scc(n1)C)C	PC-id_104288906	309.407	NPKQAXLGRSZSHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068029
OC(=O)C1CCc2c1nc(s2)N(Cc1scnc1C)C	PC-id_104288762	309.407	BJTJIWGQMQBLCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068030
OC(=O)C1CCc2c1nc(s2)NCCc1csc(n1)C	PC-id_106044620	309.407	BCRHLDCZHOERNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068031
OC(=O)C1CCc2c1nc(s2)NCC(c1nccs1)C	PC-id_105923017	309.407	MNGNSTMNXODXPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068032
OC(=O)C1CCc2c1nc(s2)NCCc1scc(n1)C	PC-id_104288660	309.407	IXRFLODWOHLWPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068033
O=C(OC(C)(C)C)NCCCNC(c1nnc2n1CCC2)C	PC-id_103821870	309.407	FSPSIGNIHCZWQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068034
O=S(=O)(c1cccnc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318592044	309.407	ISLNGMCMVSHTJX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068035
O=S(=O)(c1ccncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_319531305	309.407	RKRBQUXQSSAPKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068036
s1c2c(CCC2)cc1CNS(=O)(=O)c1ccc(nc1)N	PC-id_64081136	309.407	YFIIYFMAKAKOOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068037
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(nccc1)N	PC-id_65426468	309.407	SLZZYHPFAHVQOI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068038
s1c2CCCc2nc1NS(=O)(=O)c1ccc(cc1)CN	PC-id_61511731	309.407	UQNVIEQHXAAJIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068039
s1c2CCCc2nc1NS(=O)(=O)c1c(cccc1N)C	PC-id_61508123	309.407	IVIACKKFQOLWSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068040
s1c2CCCc2nc1NS(=O)(=O)c1cc(cc(N)c1)C	PC-id_61508406	309.407	RZAZIUQQLOGRNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068041
s1c2CCCc2nc1NS(=O)(=O)c1c(ccc(N)c1)C	PC-id_61508481	309.407	JHMNKSZIRSYSFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068042
s1c2CCCc2nc1NS(=O)(=O)c1c(cc(N)cc1)C	PC-id_61508483	309.407	ZHYWUGAIHFOLSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068043
s1c2CCCc2nc1NS(=O)(=O)c1cc(c(N)cc1)C	PC-id_64167692	309.407	BZAKETDVTNSYMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068044
s1c2CCCc2nc1NS(=O)(=O)c1ccc(NC)cc1	PC-id_61511692	309.407	KFYIGYOEAXAHFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068045
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)c(cc1)C	PC-id_61507961	309.407	OOLVYSCIDOAJCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068046
s1c2CCCc2nc1NS(=O)(=O)c1c(c(N)ccc1)C	PC-id_61508206	309.407	OGHAYZOSASDYSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068047
s1c2CCCc2nc1NS(=O)(=O)c1c(N)cc(cc1)C	PC-id_61508443	309.407	BTSXRVJPIANCQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068048
s1c2CCCc2nc1NS(=O)(=O)c1c(NC)cccc1	PC-id_62152210	309.407	NVCGQPMVVMJTJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068049
s1c2CCCc2nc1NS(=O)(=O)Cc1ccc(N)cc1	PC-id_61508244	309.407	TZEOUSNHCOWCDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068050
s1c2CCCc2nc1NS(=O)(=O)Cc1cc(N)ccc1	PC-id_61508408	309.407	GMJMKXYRIWSEJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068051
s1c2CCCc2nc1NS(=O)(=O)Cc1c(N)cccc1	PC-id_62022651	309.407	DQLWEBSKXBQHQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068052
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1ccccc1	PC-id_7640523	309.407	SOAVUILETITSPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068053
S(=O)(=O)(N1Cc2sc(nc2C1)N)c1c(ccc(c1)C)C	PC-id_82194235	309.407	SFVSKIUXTWVYRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068054
S(=O)(=O)(N1Cc2sc(nc2C1)N)c1ccc(cc1)CC	PC-id_82194236	309.407	LFCOMSPQKGTQFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068055
S(=O)(=O)(Nc1sc2c(n1)CNC2)c1c(ccc(c1)C)C	PC-id_82194124	309.407	DKSGWQKPNFLOHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068056
S(=O)(=O)(Nc1sc2c(n1)CNC2)c1ccc(CC)cc1	PC-id_82194125	309.407	ZAWWJKGHOFBWGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068057
CC1=Nn2c(/C/1=Nc1c(C)c(C)c(c(c1C)C)N(C)C)ncc2	SCHEMBL10184553,PC-id_59460190	309.409	FNADAXRPBLDRBW-SILNSSARSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068058
Cc1nnc(s1)CN(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318377656	309.41	JWGFUTOZVYNJOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068059
CCNc1sc(c(n1)N)C(=O)Nc1sc2c(n1)CCC2	PC-id_116664025	309.41	JXXOFRCFUNIPCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068060
CN(c1sc(c(n1)N)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_116664029	309.41	LFAJQBBGDWFGRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068061
Nc1nc(CCC(=O)NCc2cn3c(n2)SCC3)cs1	CHEMBL4582181,PC-id_74248840	309.41	DAVVPISWDSNCFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068062
s1c2CCCc2nc1NC(=O)c1sc(NCCC)nn1	PC-id_80616867	309.41	LNGVQEOJQFSIIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068063
s1c2CN(Cc2nc1N)C(C)C(=O)Nc1scc(n1)C	PC-id_82194259	309.41	MPIHXVRPCCPHJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068064
c12CCCc1c(C(=O)OCC)c(NC(=O)C(CC)CC)s2	ZINC22_5917550,PC-id_3636996,MCULE-3929976321,CoCoCo_6461203,EMOLS-id_5393806	309.424	XRNLYSHZXFBMEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068065
c1(cc2c(CCC2)s1)C(=O)N[C@@H]1CCCC[C@@H](OC)[C@@H]1O	ZINC22_257325444,BDE-33846683,PC-id_110125909,MCULE-7734931246,EMOLS-id_44410202	309.424	WSYQADUOGSTJDL-LALPHHSUSA-N	00000010100000000100000010000000000000000000000000000000	25-01-068066
CCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	EMOLS-id_3212278,ZINC22_5459599,PC-id_5058706,MCULE-1202585775,CoCoCo_3268293	309.424	HYRJUEHHYMTYKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068067
CCCC(C)C(=O)Nc1sc2CCCc2c1C(=O)OCC	PC-id_46094834,MCULE-9749661205,EMOLS-id_25508662	309.424	YIRCBXKHEFBDAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068068
CCC[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_92756745	309.424	YIRCBXKHEFBDAY-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068069
CCC[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_92756746	309.424	YIRCBXKHEFBDAY-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-068070
CCOC(c1nc2c(s1)CCC2C(=O)O)C1CCCCC1	PC-id_116744630	309.424	FLSMWFRTLYPRQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068071
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CC(C)(C)C	CoCoCo_3268299,PC-id_4695418,MCULE-1732170979,EMOLS-id_43416483,ZINC22_7141471	309.424	NWJAMLSCYJOWQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068072
CN(C(=O)OC(C)(C)C)C(C)(C=O)c1cc2CCCc2s1	MCULE-1905302610,EMOLS-id_313975133	309.424	BDHCJGNFMUVDSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068073
COc1c(sc2c1CCC2)C(=O)N1CCCCC1CCO	PC-id_91956586	309.424	LYAVWTAMPMXMMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-068074
O=C(c1sc2c(c1)CCC2)NCCCOCC1CCCO1	EMOLS-id_35690452,PC-id_53500424,MCULE-1572373797	309.424	KRDQVFVKHPVLKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068075
O=C(c1sc2c(c1)CCC2)NCC(C(=O)O)CC(C)(C)C	PC-id_107473743	309.424	SDPSQXHYARBWFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068076
O=C(NCCCOC[C@@H]1CCCO1)c1cc2c(s1)CCC2	ZINC22_65399465,PC-id_95126756	309.424	KRDQVFVKHPVLKR-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068077
O=C(NCCCOC[C@H]1CCCO1)c1cc2c(s1)CCC2	ZINC22_65399466,PC-id_95126757	309.424	KRDQVFVKHPVLKR-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068078
OC(=O)C1CCC(CC1)(O)CNCc1sc2c(c1)CCC2	PC-id_106499206	309.424	QFANSUVRZYJTEL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-068079
OC(=O)CC(CC(C)(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_116272303	309.424	RHUNXBRXJXPEKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068080
OC(=O)CCCCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_120242160	309.424	UTBATANNUBIBDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068081
s1c2c(CCC2)cc1CNC(=O)CC(CC)(CC)C(=O)O	PC-id_61206853	309.424	AOCWBRFFVBSSDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068082
s1c2c(CCC2)cc1CNC(=O)CC(C(C)C)(C)C(=O)O	PC-id_61207037	309.424	RFVAEHWGJOLXOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068083
s1c2c(CCC2)cc1C(=O)NCC(CC(C)C)CC(=O)O	PC-id_65492283	309.424	QQABIIOVDUMUOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068084
s1c2CCCc2cc1C(=O)NC(CCCC(C)C(=O)O)C	PC-id_65286143	309.424	ZMFKHMRGKRPQRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068085
s1c2CCCc2cc1C(=O)NCCC(CCC(=O)O)CC	PC-id_64349419	309.424	HRVVBDBBYWNTDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068086
s1c2CCCc2cc1C(=O)NCCC(CCC(=O)O)(C)C	PC-id_65284304	309.424	COBVURLMRAIMOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068087
s1c2c(CCC2)cc1C(=O)NC[C@@H](CC(C)C)CC(=O)O	PC-id_65492866	309.424	QQABIIOVDUMUOC-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-068088
s1c2c(CCC2)c(c1NC(=O)C(CCCC)CC)C(=O)O	PC-id_43328002	309.424	BFZSRWSVRQQSCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068089
s1c2c(CCC2)c(c1NC(=O)CCCCCCC)C(=O)O	PC-id_43328003	309.424	RDVXAGFWLFMVMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068090
s1c2c(CCC2)c(c1NC(=O)CC(C(C)(C)C)C)C(=O)O	PC-id_63833567	309.424	YFEYIZDZHRCNQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068091
s1c2c(CCC2)c(c1NC(=O)C(CCC)CCC)C(=O)O	PC-id_82983972	309.424	YPTWNESFDVTATA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068092
s1c2c(CCC2)c(c1NC(=O)CCCCCC)C(=O)OC	PC-id_4407438	309.424	DXOQXLLRBVNIPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068093
S1(=O)(=O)c2sc(CC(S(=O)(=O)N)(C)C)cc2CC1	PC-id_19759868	309.425	LTQZRWCCTDCLNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068094
c1(NC(=O)C2CCCC2)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_756233,Chemmine_40466,EMOLS-id_5442403,MCULE-9394554899	309.427	RAULSRBKYYKGIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068095
CC1(CCCN(CC1)CC(=O)Nc1nc2c(s1)CCC2)O	PC-id_136538578,EMOLS-id_316901384,MCULE-3320996055	309.427	DAQHSLJIUFRKPI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-068096
CC1Cn2c(C1)c(n(c2=S)C)CCC(=O)N1CCOCC1	PC-id_142603127	309.427	PGSZEDLVZFJAHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068097
CC1OCCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001941	309.427	WGEIHEOFOLGRNJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-068098
C[C@]1(O)CCCN(CC(=O)Nc2nc3c(s2)CCC3)CC1	ZINC22_526076477	309.427	DAQHSLJIUFRKPI-HNNXBMFYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-068099
C[C@@]1(O)CCCN(CC(=O)Nc2nc3c(s2)CCC3)CC1	ZINC22_526076478	309.427	DAQHSLJIUFRKPI-OAHLLOKOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-068100
CC(C1=CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100216411	309.427	GBLDZASPXDPHJD-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-068101
CCC(C)(C)NCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_6559920,MCULE-5132309616,PC-id_4846834,EMOLS-id_3408701,CoCoCo_3687892	309.427	WZFIRRONQPHKOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068102
CC(C)(C)n1nc2c(c1NC(=O)C1CCCC1)C[S@@](=O)C2	CoCoCo_4984780,PC-id_40768398,ZINC22_8553306	309.427	RAULSRBKYYKGIF-OAQYLSRUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068103
CC(C)(C)n1nc2c(c1NC(=O)C1CCCC1)C[S@](=O)C2	ZINC22_212234,PC-id_40514470,CoCoCo_4984779	309.427	RAULSRBKYYKGIF-NRFANRHFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068104
CC[C@@H]1OCC[C@H]1NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010896	309.427	WWYXKTKYQDZGCB-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068105
CC(CN1CCCC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288647	309.427	OTSHLCDSSUTJPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068106
CCCN1CCC(CC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288460	309.427	CRCVUPGRMHSUKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068107
CCN1CCCC1CN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104289067	309.427	FFQQZZCTBQDEKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068108
CCN1CCC(CC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_104288344	309.427	MZBQKHWFYWTXOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068109
CCN1CCC(CC1)N(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288312	309.427	QDRLTMDQKXACQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068110
CCN1CCOCC1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102162469	309.427	QPXCHHMMCYKKAR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068111
CC(Nc1nc2c(s1)CCC2C(=O)O)CN1CCCCC1	PC-id_104288519	309.427	JXLDXEGFXADVGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068112
CCOC1CC(C1(C)C)(N)C(=O)Nc1sc2c(n1)CCC2	PC-id_114828999	309.427	BEIZCMKUITYLNP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068113
CCOC(=O)C1CCc2c1nc(s2)NC1CCCN(C1)C	PC-id_104288080	309.427	QMWPSTXWMLVAIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068114
CCOC(=O)C1CCc2c1nc(s2)NC1CCN(CC1)C	PC-id_104287867	309.427	MCYLAJPHIUHJQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068115
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCN1C	PC-id_106022742	309.427	AFSFWFYIRADYRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068116
CCOC(=O)C1CCc2c1nc(s2)NCC1CCN(C1)C	PC-id_104288030	309.427	RGXAKDUBMKPGKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068117
CCOC(=O)C1CCc2c1nc(s2)NCCN1CCCC1	PC-id_104288584	309.427	VOGZELCGVGYBBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068118
CCOC(=O)C1CCc2c1nc(s2)NCCN(C1CC1)C	PC-id_104288645	309.427	GVOXUDXOLWWVBD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068119
CCS(=O)C1CCCC(C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101214916	309.427	WUAVZELSTSZZNU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068120
CN1CCC(CC1)(C)CNc1nc2c(s1)CCC2C(=O)O	PC-id_107165465	309.427	IADBOAUTULCRNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068121
CN1CCC(CC1)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_114516933	309.427	GYWSIDVUHCZLRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068122
CN1CCC(CC1)CN(c1nc2c(s1)CCC2C(=O)O)C	PC-id_104288657	309.427	WOEUBQOPBPCKQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068123
CN1CC[C@H](O)[C@@H](C1)C(=O)NCCc1nc2CCCc2s1	ZINC22_2100482198,MCULE-7030870951,EMOLS-id_337684656	309.427	FSGJRQBSDBJEMX-PWSUYJOCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068124
CN(C1CCCC1)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288787	309.427	AUYQODNFILDUMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068125
CN(CC1CCCC1O)CC(=O)Nc1sc2c(n1)CCC2	PC-id_109398151	309.427	SVOWWBPOJICENN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068126
NC1CCOC(C1)(C)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_319341566	309.427	DCEBLDJZGUKSMK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068127
OC1CC(C1)CCNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007329	309.427	ZHSGQPTYTZIFLC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068128
OCC1(CCC1)N(C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_278129350	309.427	FDIHFUXYFQIJHF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068129
OCC1(C)CCCN(C1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_112415858	309.427	RTMPKLASYVODAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068130
OCC1N(CCCC1C)CC(=O)Nc1sc2c(n1)CCC2	PC-id_109915938	309.427	BMWZDAJKMLWFJY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068131
O=C(C(C1CCCCC1)O)NCCc1cn2c(n1)SCC2	EMOLS-id_99975112	309.427	NBLCRNIYCTWIOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068132
OCCC1CCCCN1CC(=O)Nc1sc2c(n1)CCC2	PC-id_111434337	309.427	BKVJVYKXUDBEOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068133
O=C(C(C1CCOCC1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99840263	309.427	WERAHNOLTDXPLW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068134
O=C(CC1(O)CCCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99897108	309.427	KYUADRHXUFRIJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068135
OCCCC1CCCN1CC(=O)Nc1sc2c(n1)CCC2	PC-id_111431831	309.427	RZENPVZEECHILO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068136
O=C(CCC1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99834448	309.427	IAYSAUXKZZGUDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068137
OCCCCN(C1CC1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111431996	309.427	HBVNEQQTZJLBLK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068138
O=C(C(CN1CCOCC1)(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_320015220,MCULE-5909375312	309.427	QLWBOZUQLDTKGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068139
O=C(CN1CCCC1C(O)(C)C)Nc1sc2c(n1)CCC2	PC-id_109900122	309.427	OPKBNGTUZRXGOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068140
O=C(CN1CCCCC1C(O)C)Nc1sc2c(n1)CCC2	PC-id_111434327	309.427	HUPPQPDQBBHWDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068141
O=C(NC1(C)CCCOC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005679	309.427	WIIGXORIZXXIFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068142
O=C(NC1(C)CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005601	309.427	ARCGVGHEKRZSTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068143
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCOC(C1)C	EMOLS-id_102005670	309.427	HJZFYQWBGAVZBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068144
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCOCCC1	EMOLS-id_102005718	309.427	SEXQFHPHIWZIAH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-068145
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCCCO1	EMOLS-id_102001866	309.427	UYQLJOGTEFBHNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068146
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCCOC1	EMOLS-id_102000150	309.427	DIZVZLBVDYDFIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068147
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCOCC1	EMOLS-id_102001905	309.427	YVOMEZQXZLYHEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068148
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(C)COCC1	EMOLS-id_102002124	309.427	PCMQJBKZYNYSCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068149
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC(C1COCC1)C	EMOLS-id_102003609	309.427	NPKMHNWRWCVVES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068150
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(C1CC1)(O)C	EMOLS-id_102002112	309.427	IYVICHMUKGQLOR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068151
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(C1CCC1)O	EMOLS-id_102010854	309.427	FDEJSRKMGIFXSC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068152
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCC1(O)CCC1	EMOLS-id_102008934	309.427	RGTWIKYUHDZAGW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068153
O=C(Nc1sc2c(n1)CCC2)CN1CCC(CC1)C(O)C	PC-id_111113747	309.427	AQCKDDLFFGXIIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068154
O=C(N(CC1COCC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003723	309.427	MZLRACRNGKTFST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068155
O=C(N(C[C@H]1CCCO1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007107	309.427	UNJMJTXPPHOPCK-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068156
OC(=O)C1CCc2c1nc(s2)N(CC1(CCC1)N(C)C)C	PC-id_105420746	309.427	URVSYXONPRAFCD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068157
OC(=O)C1CCc2c1nc(s2)NCC1(CCCC1)N(C)C	PC-id_104289228	309.427	YUUKCBOYNWQFRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068158
OC(=O)C1CCc2c1nc(s2)NCC1CCN(C1)C(C)C	PC-id_104288139	309.427	DXSSNLNAUWCZDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068159
OC(=O)C1CCc2c1nc(s2)NCC(N1CCCCC1)C	PC-id_104288401	309.427	ABOVFJXMEHVCGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068160
O=S(=O)(c1cnc2n1CCC2)N1CCCC1C1CCCC1	EMOLS-id_100194810	309.427	UHYLVRVEGBQQRV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-068161
O=S(=O)(c1cnc2n1CCC2)NC1CC1C1CCCCC1	EMOLS-id_100206700	309.427	DCRYOQAMADBLFJ-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-068162
O=S(=O)(c1cnc2n1CCC2)NCC1(CCC1)C1CCC1	EMOLS-id_101798052	309.427	DPNISZWLTORSDC-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-068163
O=S(=O)(c1cnc2n1CCC2)NC(C1CCC1)C1CCC1	EMOLS-id_98570752	309.427	ISLIEWJCIDKGLG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068164
O=S(=O)(c1cnc2n1CCC2)N[C@@H]1C[C@H]1C1CCCCC1	EMOLS-id_100881765	309.427	DCRYOQAMADBLFJ-QWHCGFSZSA-N	00100010100010000001100010000000000000000000000000000000	25-01-068165
s1c2CCCc2cc1CNC(=O)CNC(=O)[C@@H](N)C(C)C	PC-id_82963802	309.427	LVFOJKLMAQUHMV-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068166
s1c2c(CCC2)cc1C(=O)N(CC(C)C)CC/C(=N/O)/N	PC-id_61662239	309.427	FQTFYAKUTGMMGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068167
s1c2c(CCC2)c(c1NC(=O)CN(CCCC)C)C(=O)N	PC-id_31477908	309.427	XIQLYNLKFQTAPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068168
c1ccc(Cn2ccc(CNC3Cc4cscc4C3)n2)cc1	ZINC22_2325813524	309.429	TYCYBAQYKCOPDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068169
Cc1c(c2ccccc2)ncn1CCc1nc2c(s1)CCC2	MCULE-9405706918,PC-id_50985152,ZINC22_65534284,EMOLS-id_32437896	309.429	ZQGSTABDXWOLMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068170
Cc1cc2c(s1)CC[C@@H]2NCc1c[nH]nc1c1ccccc1	ZINC22_2325777801	309.429	GRBVUZARPZBIQL-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068171
Cc1cc2c(s1)CC[C@H]2NCc1c[nH]nc1c1ccccc1	ZINC22_2325777802	309.429	GRBVUZARPZBIQL-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068172
C/C=CC1=C(/C=CC)Cc2c1nc(s2)Nc1ccc(cn1)C	PC-id_144544491	309.429	RUDPMCORJVSFCP-PEPZGXQESA-N	00000011100000101001000010000000000000000000000000000000	25-01-068173
c1(NC(=O)CN2CCCN(C)CC2)n(C)nc2CSCc12	ZINC22_1506420090,EMOLS-id_316254021,MCULE-6516115200	309.43	TYCGKGXIJWAAOR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-068174
CC1NCCN(C1C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_101890372	309.43	AFDMTCPBDMSGSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068175
CC1NCC(N(C1)C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_101890408	309.43	IWQZCDGSSAJHBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068176
CC(C(c1nnc2n1CCC2)NC(=O)N1CCSCC1)C	PC-id_72020818,MCULE-5394072678,EMOLS-id_49005346	309.43	QEUWBXDZHPPTLW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068177
CC(C)[C@@H](NC(=O)N1CCSCC1)c1nnc2n1CCC2	PC-id_96484653,ZINC22_78663638	309.43	QEUWBXDZHPPTLW-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068178
CC(C)[C@H](NC(=O)N1CCSCC1)c1nnc2n1CCC2	ZINC22_78663633,PC-id_96484652	309.43	QEUWBXDZHPPTLW-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068179
CSC1CCCC1N(C(=O)NCc1nnc2n1CCC2)C	MCULE-9812002774,PC-id_71846801,EMOLS-id_44592166	309.43	FSPPLDBGXQNQRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068180
CS[C@H]1CCC[C@H]1N(C)C(=O)NCc1nnc2n1CCC2	PC-id_96998068,ZINC22_83855596	309.43	FSPPLDBGXQNQRQ-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-068181
CS[C@@H]1CCC[C@H]1N(C)C(=O)NCc1nnc2n1CCC2	PC-id_96998070,ZINC22_83855599	309.43	FSPPLDBGXQNQRQ-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068182
CS[C@@H]1CCC[C@@H]1N(C)C(=O)NCc1nnc2n1CCC2	PC-id_96998071,ZINC22_83855600	309.43	FSPPLDBGXQNQRQ-WDEREUQCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068183
CS[C@H]1CCC[C@@H]1N(C)C(=O)NCc1nnc2n1CCC2	ZINC22_83855598,PC-id_96998069	309.43	FSPPLDBGXQNQRQ-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068184
NC1CCCC(C1)NC(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_101890399	309.43	CJYPVRRYLRIGFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068185
O=C(N1CCNC(C1)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_101890387	309.43	MDWOHQWMSRANIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068186
O=C(N1CCSC(CC1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_100834563	309.43	DGCGJFQWAHENQY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-068187
O=C(NC1CCCNC1C)NCCc1cn2c(n1)SCC2	EMOLS-id_101890402	309.43	USWPHAJRVWMJHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068188
O=C(NC1CC(n2c1ncc2)C)NCCN1CCSCC1	EMOLS-id_101376355	309.43	QBMWKLHAWSFNSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068189
O=C(NC1CNCCC1C)NCCc1cn2c(n1)SCC2	EMOLS-id_101890396	309.43	NVIGISUGGDKEBM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068190
O=C(NC(c1nnc2n1CCC2)C)CSC1CCNCC1	PC-id_114626699	309.43	VTWBJPTXLRXMHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068191
O=C(N(Cc1nnc2n1CCC2)C)CSC1CCNCC1	PC-id_114627035	309.43	WDRIGMINPHVHPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068192
O=C(NC(c1nnc2n1CCC2)C)NCC1(C)CCCS1	EMOLS-id_99872780	309.43	QYYNIIXVJCMSCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068193
O=C(NC(c1nnc2n1CCC2)C)NCC1CCCSC1	EMOLS-id_99007220	309.43	YNMQUUMGQBZSOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068194
O=C(N[C@@H]1CCCC[C@H]1N)NCCc1cn2c(n1)SCC2	EMOLS-id_102155545	309.43	SWJSZEAQPZFMBJ-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068195
CC1(CCC(CC1)NCc1cnc2n1CCC2)c1ccccc1	EMOLS-id_318133421	309.448	FPIARIJRCFBGGG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068196
CC1CC(NCc2cnc3n2CCC3)CC(C1)c1ccccc1	EMOLS-id_318189926,MCULE-6183861710	309.448	UTDLKNQTORVEIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068197
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1CN	MCULE-6330474684,EMOLS-id_330997695	309.448	XBZJZXPUSYWSFQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-068198
CC(c1nn2c(c1)CCC2)NC1CCCC1Cc1ccccc1	EMOLS-id_318235953	309.448	GTYHCUXSCKVMRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068199
CC(Oc1c(N)nsc1NCc1sc2c(c1)CCC2)C	PC-id_103359401	309.45	BQDWJNYRYGEUNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068200
COCCNC(c1sc2c(n1)CCC2)c1csc(n1)C	PC-id_116084279	309.45	ZGMUBQATZXJTFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068201
COCCNC(c1sc2c(n1)CCC2)c1scc(n1)C	PC-id_104771084	309.45	GMWZXHBVCOFCOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068202
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CC(=S)N	PC-id_63336507	309.45	VVEONQPOJKAJOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068203
s1c2CCCc2cc1C(=O)NNC(=S)NC1CCCC1	PC-id_9147139	309.45	MFQXMOLXFQDJFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068204
s1c2CCCc2nc1NC(=O)C1(CCCCC1)C(=S)N	PC-id_61837013	309.45	WCAZVGBFDFNXDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068205
CC(c1nnc(s1)NCCc1cn2c(n1)SCC2)(C)C	EMOLS-id_317947597,MCULE-1592759884	309.453	RHTDIJXAXLADDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068206
CC(c1nsc(n1)NCCc1nc2n(c1)CCS2)(C)C	MCULE-7706021520,EMOLS-id_99958419	309.453	FLWKKEHADHLEDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068207
CCCCCCCNc1sc2c(c1C(=O)OCC)CCC2	PC-id_110826916	309.467	KFJJLWGUVBGOFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068208
NCC1CC(c2c1c(CCC(=O)O)c(s2)C(C)(C)C)(C)C	PC-id_145088697	309.467	SVTCAPAHQCVILT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068209
s1c2c(CCC2)cc1CNCC(O)COC1CCCCC1	PC-id_61207417	309.467	HGNXJDVDFWQIBB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-068210
CC1CCN(CC1)CC(CNCc1sc2c(n1)CCC2)O	PC-id_109948565	309.47	TZFSMRRPNAZCLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068211
CCC1=Nc2n(S1C(CC1CCC(CC1)(C)C)O)cnc2	SCHEMBL20744433	309.47	XFXLBNWDXPDUGZ-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-068212
OC1CCN(CC1)CCCNC(c1sc2c(n1)CCC2)C	PC-id_109908739	309.47	ZGUKKXDNHWZFHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068213
OCCCN(C1CCN(CC1)Cc1sc2c(n1)CCC2)C	PC-id_109974858	309.47	WFOCXCIULSALHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068214
OC(S1C(=Nc2n1cnc2)CC(C)C)CC1CCCCC1	SCHEMBL20744073	309.47	PYOBEMFASRDXOB-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-068215
ON=C(C(CCCCNCc1sc2c(c1)CCC2)(C)C)N	PC-id_106711199	309.47	MCDIFRJXNNIKSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068216
s1c2CCCc2nc1NC(=O)CCC(C(C)(C)C)CCN	PC-id_64360146	309.47	SKOQSHMFEAVTFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068217
s1c2C(OC(c2nc1C(N1CCNCC1)CC)(C)C)(C)C	PC-id_79908334	309.47	ZDLZVJFHFIQQPL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068218
s1c2C(OC(c2nc1C(N1CCNCC1)(C)C)(C)C)(C)C	PC-id_79908335	309.47	KRPNIYKTSCKWBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068219
CCCCCCCCCCCCn1sc2c(c1=O)CCC2	SCHEMBL10547345,PC-id_13747915	309.51	PAZVPMQTKXWTCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068220
ClC(Cl)(Cl)C1(O)C(C(n2c1cc(c2)C#N)C)CO	PC-id_75295224	309.576	MJCFTQHJGRXTET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068221
ClC(Cl)(Cl)[C@@]1(O)[C@@H]([C@H](n2c1cc(c2)C#N)C)CO	PC-id_49793795	309.576	MJCFTQHJGRXTET-GTNGPMTGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068222
C(Cl)(Cl)(Cl)C(=O)Nc1sc2CCCc2c1C#N	MCULE-9018216328,PC-id_4511424,EMOLS-id_327975062	309.599	KQYAEOJYPJYFGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068223
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)F	EMOLS-id_17102205,PC-id_135635962,MCULE-2092546821,STOCK6S-48254	309.684	XJSRFOOVQNRULE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068224
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(F)c(Cl)c1	PC-id_135925047,ZINC22_13691973	309.684	XJSRFOOVQNRULE-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068225
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(F)c(Cl)c1	PC-id_135925048,ZINC22_13691974	309.684	XJSRFOOVQNRULE-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-068226
c1c(nc2n1C[C@@](O2)(COc1ccc(cc1)Cl)C)[N+](=O)[O-]	CHEMBL441552,PC-id_6483568	309.705	KWYWUAAPBSPLMX-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068227
Clc1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_78413375	309.705	KWYWUAAPBSPLMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068228
c12CN(Cc1cnn2CCO)C(=O)c1ccc(c(Cl)c1)F	MCULE-9914571409,EMOLS-id_36591340,PC-id_56749422,ZINC22_67886529	309.723	OOWMWBRMPVGCAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068229
CC(c1ccc(c(c1)Cl)F)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_318711802	309.723	AJZIGIHLVZNSRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068230
CC(c1ccc(c(c1)F)Cl)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_318729437	309.723	WQWIHRDCXJSJLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068231
Fc1ccc(c(c1)Cl)[C@@H](NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_318604765	309.723	SHCPUGVUGMRFSE-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068232
Fc1ccc(c(c1)Cl)[C@H](NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_318716944	309.723	SHCPUGVUGMRFSE-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068233
Fc1ccc(c(c1)Cl)C(NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_318548471	309.723	SHCPUGVUGMRFSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068234
O=C(c1cc2n(n1)CCO2)NC(c1c(F)cccc1Cl)C	EMOLS-id_318726822	309.723	LVTNWVHMOOZRDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068235
O=C(c1cc(F)c(c(c1)Cl)O)NCc1cnc2n1CCC2	EMOLS-id_318941851	309.723	NZQROVFLPBEKFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068236
Clc1cc(F)c(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_60446068	309.727	WXFUMZGJDMBYPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068237
Clc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1F	PC-id_60446247	309.727	RCASAUFPANPVLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068238
Fc1cnc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)Cl	PC-id_108065589	309.727	BTRGBVRGYHFXMP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068239
Fc1cnc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)Cl	PC-id_108065664	309.727	JWKDIRXSGKJZLJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068240
O=C(NCc1nnc2n1CCC2)Nc1cccc(Cl)c1F	ZINC22_43450287,EMOLS-id_36633716,MCULE-8162976640,PC-id_52191158	309.727	IQWXDGFSXQUJNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068241
O=C(NCc1nnc2n1CCC2)Nc1ccc(Cl)c(F)c1	EMOLS-id_31984098,MCULE-9728353247,ZINC22_48478596,PC-id_51082689	309.727	FJPUWCLFLUUENH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068242
O=C(NCc1nnc2n1CCC2)Nc1ccc(F)cc1Cl	MCULE-1517302476,ZINC22_43262824,PC-id_52188005,EMOLS-id_36633580	309.727	YEVXACKDJMBXFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068243
O=C(NCc1nnc2n1CCC2)Nc1cc(Cl)ccc1F	EMOLS-id_36633734,MCULE-1830913127,ZINC22_43527834,PC-id_52191821	309.727	UWJVLELEFDQKCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068244
CCc1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324844775	309.746	MZMBNEPFJGPMQZ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-068245
Clc1ccc(c2oc(C=C3Cn4c(C3=O)ccc4)cc2)cc1	PC-id_72057143,MCULE-5758753070,EMOLS-id_26233119	309.746	RPOLDXCCQKPMPR-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-068246
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CC	MCULE-4403362327	309.746	MZMBNEPFJGPMQZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-068247
O=C1/C(=C/c2ccc(c3ccc(Cl)cc3)o2)/Cn2cccc12	PC-id_17458591,ZINC22_14168663,CoCoCo_4588834,CoCoCo_4588835	309.746	RPOLDXCCQKPMPR-JLHYYAGUSA-N	00000010101000110000100010000000000000000000000000000000	25-01-068248
Cc1nccn1CCCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960002	309.751	XESIBIVDZBWOKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068249
Clc1cc(c(OCc2sc3CCCc3n2)cc1)C(=O)O	PC-id_24252881	309.768	JJUUTYZWHHROOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068250
Clc1cc(sc1)C(=O)c1n2c(C(CC2)C(=O)O)cc1C	SCHEMBL11658091,PC-id_20356164	309.768	KIPHHUTZGAGBKU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-068251
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccsc1	SCHEMBL11273671,PC-id_20528096	309.768	CULAIKKVNLNFAR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-068252
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1sccc1	SCHEMBL11265615,PC-id_20528134	309.768	ISSNMQTXICHLKP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-068253
Clc1sc(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cc1	SCHEMBL11657644,PC-id_20356105	309.768	GVAXFUUOBZVIEC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-068254
Clc1ccc(c(n1)NCc1sc2c(c1)CCC2)[N+](=O)[O-]	PC-id_106194053	309.771	JBNPNVGGMUOISZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068255
Clc1ccc(CNC(=O)Nc2onc3c2CSC3)cc1	PC-id_49719387	309.771	UAQNWPJRXVJGBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068256
Clc1ccc(OCC(=O)N2Cc3sc(nc3C2)N)cc1	PC-id_82194161	309.771	FGKYSVVOJXQIIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068257
Clc1ccc(OCC(=O)Nc2sc3CNCc3n2)cc1	PC-id_82194048	309.771	YZKSSPXYBWUQBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068258
Clc1cc([N+](=O)[O-])c(NCc2sc3CCCc3c2)nc1	PC-id_81662818	309.771	RCVOAPQOQGOFKD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068259
Clc1nc(NCc2sc3c(c2)CCC3)cc(c1)[N+](=O)[O-]	PC-id_103888524	309.771	RJMLUTOEYBCQPY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068260
COc1nc(nc(c1)Cl)NC(=O)c1sc2c(c1)CCC2	PC-id_108206656	309.771	DOPQOHTXLBCRPG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068261
Nc1cc(Cl)c(c(c1)C(=O)O)Nc1sc2c(n1)CCC2	PC-id_107195146	309.771	MCTYSCFPSWHKOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068262
Clc1cc(C(=O)Nc2sc3CCCc3n2)cnc1NN	PC-id_62242528	309.775	DTMXQKLLVAVSNR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068263
Clc1c(nc(NN)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_62242897	309.775	JIPOYUGJMNMZDP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068264
Clc1nc(NN)cc(C(=O)Nc2sc3CCCc3n2)c1	PC-id_62243072	309.775	LXVOQHDMCZVNQC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068265
Clc1cc(C(=O)NCc2sc3CCCc3c2)c(F)cc1	PC-id_61216182	309.786	IGCIGTUWLSOQCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068266
ClCS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)OC	EMOLS-id_315268675,PC-id_55245437	309.79	DPTZRLNYQNOVNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068267
Clc1sc2CCC(Nc3cc(OC)cc(OC)c3)c2c1	PC-id_81252879	309.811	CYHCOPJVUIIAKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068268
Clc1sc2CCC(Nc3cc(OC)c(OC)cc3)c2c1	PC-id_81252667	309.811	FPGUHVGRJBIZRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068269
Clc1sc2CCC(Nc3c(OC)ccc(OC)c3)c2c1	PC-id_81251492	309.811	BAWTWRNSKPFPQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068270
Clc1sc2CCC(Nc3c(OC)cc(OC)cc3)c2c1	PC-id_81252038	309.811	FZTMWQNXLLIELL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068271
CCn1ncc(c(c1=O)Cl)NCc1sc2c(c1)CCC2	PC-id_114434866	309.814	KYLLPDMGFOKQGN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068272
Clc1ccc(OCCCN2Cc3sc(nc3C2)N)cc1	PC-id_82194346	309.814	ONWJWMONHURITR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068273
COCc1nc(NCc2sc3c(c2)CCC3)cc(n1)Cl	PC-id_106194059	309.814	RXDHVAFBXJDVEW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068274
O=C(C(c1ccc(s1)Cl)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318633711	309.814	XSXICCLXCCVEMC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-068275
O=C(C(c1ccc(s1)Cl)C)NCc1cnc2n1CCC2	EMOLS-id_318805368	309.814	XNJZMZHUCRSSLL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-068276
O=C(C(c1ccc(s1)Cl)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319216794	309.814	RQZIICQJPKQPDQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-068277
O=C(NCc1cnc2n1CCC2)CCc1scc(c1)Cl	EMOLS-id_319433000	309.814	WQTFGIVHOAJSII-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-068278
C12=C(SC(=C1C(=O)[NH2+]C2=O)Br)Br	PC-id_163800042	309.817	NEEDMYREYHNDOZ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-068279
Clc1nc(NCc2sc3c(c2)CCC3)nc(n1)N(C)C	PC-id_106194032	309.818	VXVFNWFMCNDXBT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068280
Clc1nnc(c(c1C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_318667779,MCULE-9283286424	309.818	RNVJEEUCXVQZFO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068281
CCNC(c1ccc(cc1F)Cl)c1sc2c(c1)CCC2	PC-id_105022725	309.829	WYMMZEHVAGUFEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068282
CCNC(c1cc(F)ccc1Cl)c1sc2c(c1)CCC2	PC-id_105396987	309.829	KVEIMGXGMALABB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068283
Clc1cc(C(NCc2sc3c(CCC3)c2)C)ccc1F	PC-id_61206834	309.829	SDLNDTOATIYADJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068284
Clc1c(CC(NC)c2sc3c(CCC3)c2)c(F)ccc1	PC-id_61079864	309.829	BMIWHHZSGHWTSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068285
Clc1c(C(NCc2sc3c(CCC3)c2)C)ccc(F)c1	PC-id_61207034	309.829	JVSQIGIJSOOHHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068286
Clc1c(C(NC)c2sc3c(CCC3)c2)cc(c(F)c1)C	PC-id_81045506	309.829	ZKGLWLIQAKGFBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068287
Clc1c(F)cc(C(NCc2sc3c(CCC3)c2)C)cc1	PC-id_82994719	309.829	JAMSWJHKUNSXKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068288
Clc1sc2c(C(NCc3cc(c(F)c(c3)C)C)CC2)c1	PC-id_81251750	309.829	KLCLXECNQKCZPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068289
Clc1sc2c(C(NC(c3cc(F)c(cc3)C)C)CC2)c1	PC-id_81252085	309.829	UZRHNBTXTHLELR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068290
Clc1sc2c(C(NCCc3c(cc(F)cc3)C)CC2)c1	PC-id_81251979	309.829	YGHABIUYIZKCBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068291
Clc1sc2c(C(NC(Cc3ccc(F)cc3)C)CC2)c1	PC-id_81252192	309.829	CPCLZNVEOOJPCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068292
CNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Cl)F	PC-id_103043340	309.829	VOQURXWATWXSCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068293
CNC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)F	PC-id_105032286	309.829	MXJFHHBICOMZSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068294
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)F	PC-id_115840340	309.829	BJBMMRNMGNFTDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068295
CNC(c1sc2c(c1)CCC2)Cc1cccc(c1F)Cl	PC-id_102867208	309.829	UUPHMAAKTNAWNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068296
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1F)Cl	PC-id_105055188	309.829	BZODBBBXOABZEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068297
CNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)Cl	PC-id_107891562	309.829	WTNHINDWHWWQCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068298
CNC(c1sc2c(c1)CCC2)Cc1cc(Cl)ccc1F	PC-id_103053157	309.829	DRSYLRMJJNPPCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068299
CNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1Cl	PC-id_102622618	309.829	DFXQRYQILWFUFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068300
CC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cl	PC-id_92109747	309.834	DNSOZLJABYZFOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068301
Clc1ccc(CNC(=O)c2sc3c(CSC3)c2)cc1	PC-id_6622389	309.834	JPZSOKUHKOZNAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068302
Clc1c(CNC(=O)c2sc3c(CSC3)c2)cccc1	CoCoCo_2684279,PC-id_4048813	309.834	SKBJFJBDUKAVDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068303
ClCCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109745	309.834	TVHFNXDDUKQYQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068304
Clc1cc(c(Nc2sc3CCCc3n2)cc1)C(=S)N	PC-id_62494209	309.837	YVAQHAGKCZQGCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068305
Clc1c(c(Nc2sc3CCCc3n2)ccc1)C(=S)N	PC-id_55079288	309.837	REAMQRJSJZEZTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068306
Clc1cc(Nc2sc3CCCc3n2)ccc1C(=S)N	PC-id_62948963	309.837	XOFCKSUZUIXFHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068307
Clc1cc(Nc2sc3CCCc3n2)c(cc1)C(=S)N	PC-id_63094171	309.837	JBKWRTQBPJHCMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068308
Clc1c(Nc2sc3CCCc3n2)ccc(c1)C(=S)N	PC-id_63087293	309.837	XRWMFZFRXJAEDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068309
Cc1nn(c(c1)C)CCCNC1CCc2c1cc(s2)Cl	PC-id_114536382	309.857	RPFNQSDUYYRHOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068310
Cc1nn(C(C)C)cc1CN[C@@H]1CCc2sc(Cl)cc12	ZINC22_352468558	309.857	ZKYQAGPWVHRGGN-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068311
Cc1nn(C(C)C)cc1CN[C@H]1CCc2sc(Cl)cc12	ZINC22_352468564	309.857	ZKYQAGPWVHRGGN-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068312
CCc1nn(c(c1Cl)CC(c1sc2c(c1)CCC2)N)C	PC-id_104998372	309.857	OAYJHJSKZNJIBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068313
CCCn1ncc(c1C(c1sc2c(c1)CCC2)NC)Cl	PC-id_105042418	309.857	XRQGTQVJOAMIFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068314
CCCNC(c1c(Cl)cnn1C)c1sc2c(c1)CCC2	PC-id_105046465	309.857	GLVVYWKVPLGNEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068315
CCn1nc(c(c1CC(c1sc2c(c1)CCC2)N)Cl)C	PC-id_104998673	309.857	HFGQPRSJNSDCHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068316
CCNC(c1c(Cl)cnn1CC)c1sc2c(c1)CCC2	PC-id_105040896	309.857	AIJYMPZCUKOTKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068317
Clc1c(n(nc1C)CC)CNCc1sc2c(CCC2)c1	PC-id_65870429	309.857	JIOBTVPJVJLGDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068318
Fc1ccc(c(c1)CNC1CCn2c1ncc2)Br	EMOLS-id_317942922,MCULE-4113908387	310.165	ZOAMRYYXASSGQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068364
Clc1c(n(nc1CC)C)CNCc1sc2c(CCC2)c1	PC-id_65879114	309.857	NOUIPAUTIGUZMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068319
Clc1sc2c(c1)C(CC2)NCc1cn(nc1C)C(C)C	MCULE-9950445235,EMOLS-id_316843231	309.857	ZKYQAGPWVHRGGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068320
Clc1sc2c(C(Nc3c(n(nc3C)C(C)C)C)CC2)c1	PC-id_81252067	309.857	JEROJOABIAKFBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068321
CNC(c1c(Cl)cnn1C(C)C)c1sc2c(c1)CCC2	PC-id_105041574	309.857	PRBCAXKBZKPRLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068322
CNC(c1sc2c(c1)CCC2)Cc1c(C)nn(c1Cl)C	PC-id_105034803	309.857	MRMDURMQFFSQMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068323
CNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Cl)C	PC-id_104996483	309.857	XZFIXYAMHAUWCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068324
Clc1sc2CCC(Nc3c(SCC)cccc3)c2c1	PC-id_81252492	309.877	IUCLRJSLWMOLIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068325
Clc1sc2CCC(NCCSc3ccccc3)c2c1	PC-id_81252181	309.877	JOVJWMKWYXTLGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068326
Clc1sc2c(C(NCc3sc4c(CCC4)c3)CC2)c1	PC-id_81251312	309.877	ZXRMYBCBXJZNIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068327
Brc1sc(Br)c2c1C(=O)CC2=O	PC-id_59787519,SCHEMBL64158	309.963	BZERWMXWDMMPRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068328
c1c2c(cs1)C(=O)C(C2=O)(Br)Br	PC-id_134986365	309.963	LVAKBXWGUCTNBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068329
CC1=C2CCCN2N=C1COPI	PC-id_155019605	309.973	HMJKRXBHQKYGFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068330
Brc1c2CC(C(=O)c2sc1Br)C	SCHEMBL4213326,PC-id_57864564	310.006	DITSGPHRCAAEAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068331
C1C2=C(CN1S(=O)(=O)C3=CC=C(C=C3)F)NN=C2C(=O)[O-]	PC-id_153795587	310.03	SWXANBFMORJJLR-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-068332
CC1=C(C(=NO1)C)C(=O)NS(=O)(=O)C2=CN=C3N2CCC3	PC-id_154789655,EMOLS-id_112057158	310.074	GBGJFEBRLRPCTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068333
C1C2=C(CN1C[C@@H](CC3=C(C=C(C=C3)Cl)Cl)N)NN=C2	PC-id_153874723	310.075	SIBLRDRLMWKWME-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068334
C1C(OC2=CC(=NN21)C(=O)O)COCCOCC(F)(F)F	PC-id_150513468	310.078	IAIMADYBYMKZKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068335
CC1=C(C=CC(=O)N1)N=C2C(=NN3C2=NN=C3C(F)(F)F)C	PC-id_154526047	310.079	NJLZVZZDQGHNDK-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-068336
c12CN(Cc1nn(CC(F)F)c2Br)C(=O)OC	MCULE-7007726450,EMOLS-id_324341100	310.095	VCHKEMZFPIGTLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068337
C1CN2C(=C(C=N2)C(=O)N)N1CC3=CC=C(C=C3)C(F)(F)F	PC-id_151076418	310.104	MJFARSHRTHGEPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068338
CN1C(=C2CCCC2=N1)C=CC3=NC(=CC(=O)N3)C(F)(F)F	EMOLS-id_317753772,MCULE-4894179012,PC-id_154780351	310.104	AADSDISRUAOUKY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068339
CN1C(=C2CN(CC2=N1)C(=O)C(C3=CC=CC=C3F)(F)F)N	PC-id_154766991,MCULE-8902611121,EMOLS-id_257949162	310.104	IKYYAEQRIUZXIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068340
CC(C)C(=O)NC1=C2CN(C(C2=NN1C(=O)O)(C)C)C(=O)O	PC-id_153920744	310.128	GPAGQAJHSKXSRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068342
Clc1c(C(=O)c2n(c3c(OC(=O)C3)c2)C)ccc(Cl)c1	SCHEMBL7681927,PC-id_9861485	310.132	ZZCKUVZVOVJBGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068343
CC1=Nc2nc(nn2C1=Nc1cc(c(c(c1)Cl)O)Cl)C	PC-id_136089197	310.139	CCODINGMKQZWFA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068344
CC1=Nc2nnc(n2C1=Nc1cc(c(c(c1)Cl)O)Cl)C	PC-id_136089182	310.139	OGSVTDRPLBCQSO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068345
Cc1nn2c(=C)nnc2c1Nc1cc(c(c(c1)Cl)O)Cl	PC-id_136595486	310.139	DLDFLPXELBVWAU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-068346
Cc1nn2c(n1)c(=Nc1cc(c(c(c1)Cl)O)Cl)c(=C)[nH]2	PC-id_136496404	310.139	TZUYSPXMZONOPX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-068347
Cc1nn2c(n1)N=C(/C/2=N/c1cc(Cl)c(c(c1)Cl)O)C	SCHEMBL14527727	310.139	CCODINGMKQZWFA-BOPFTXTBSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068348
CC1=Nn2c(nc(n2)C)C1=Nc1cc(c(c(c1)Cl)O)Cl	PC-id_136089193	310.139	PJVVQZUYFHOOEE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068349
CC1=Nn2c(nnc2C1=Nc1cc(c(c(c1)Cl)O)Cl)C	PC-id_136089205	310.139	WRBTVGWANCZJDR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068350
Cc1nnc2n1c(=Nc1cc(c(c(c1)Cl)O)Cl)c(=C)[nH]2	PC-id_136653091	310.139	GFJXBTXHAZNPCI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-068351
Brc1occ(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317962843	310.147	XAOTZEFSPONRIX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-068352
Brc1occ(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319673412	310.147	SQAOGKNEHUNWTL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-068353
O=C(c1occc1Br)NCc1cnc2n1CCC2	EMOLS-id_317944206	310.147	KYZAIRGXTQZBEF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-068354
O=C(c1occc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319871069	310.147	ZHJDNJCWPWFUPS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-068355
CCn1ncc(Br)c1C(=O)N1CCn2nccc12	MCULE-9877925059,EMOLS-id_316309410,ZINC22_1615613289	310.15	VAXSWSHLLXUVFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068356
O=C(c1[nH]ncc1Br)NC1CC(n2c1ncc2)C	EMOLS-id_319206271	310.15	GIZUHDMCZAEMOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068357
O=C(c1[nH]ncc1Br)NCc1cnc2n1CCC2	EMOLS-id_318781066	310.15	WLMZDGJXTMCYMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068358
O=C(c1[nH]ncc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_318802171	310.15	POMMHJWNPOAWBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068359
Brc1ccc(c(c1)CNC1CCn2c1ncc2)F	EMOLS-id_317940138,MCULE-6901152348	310.165	RUYZBIBBGXULDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068360
Brc1ccc(cc1F)NCc1cnc2n1CCC2	MCULE-1150910987,EMOLS-id_317976226	310.165	FOLBTODTTVUZPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068361
Cc1cc(F)c(cc1NC1CCn2c1ncc2)Br	EMOLS-id_317956677	310.165	RRCJKZSVLNQGOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068362
Fc1ccc(cc1Br)NCc1cnc2n1CCC2	EMOLS-id_317927333,MCULE-9412855089	310.165	LHSULJUOFHOIGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068363
Fc1cc(NCc2cnc3n2CCC3)cc(c1)Br	EMOLS-id_317957750,MCULE-9565526600	310.165	XLGJJGZKLPYNMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068365
Clc1cc(CC2CCc3[nH]c(cc23)C(=O)O)ccc1Cl	PC-id_59180210,SCHEMBL1006811	310.175	AYXKUMGACSELRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068366
Clc1cc(Cn2c3CCCc3cc2C(=O)O)ccc1Cl	PC-id_9926679,SCHEMBL7947056	310.175	PHEIOVVBWFPJAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068367
c1(C(=O)Nc2ccc(cc2Cl)Cl)c2CCCc2n(C)n1	PC-id_110389138,EMOLS-id_179745478,MCULE-2056974449	310.179	RUOSWHADEPUPIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068368
c1(C(=O)Nc2c(cccc2Cl)Cl)c2CCCc2n(C)n1	PC-id_110389141,EMOLS-id_179745487,MCULE-6880086542	310.179	RBQRXTZMVHBURL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068369
c1(C(=O)Nc2ccc(c(Cl)c2)Cl)c2CCCc2n(C)n1	MCULE-5681659186,EMOLS-id_179745475,PC-id_110389137	310.179	BKBWJVIOXDFOKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068370
c1(C(=O)Nc2cccc(Cl)c2Cl)c2CCCc2n(C)n1	PC-id_110389142,EMOLS-id_179745490,MCULE-8343889014	310.179	DBQSWZYKMIWCFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068371
c1(C(=O)Nc2cc(Cl)cc(Cl)c2)c2CCCc2n(C)n1	EMOLS-id_179745484,MCULE-3783323716,PC-id_110389140	310.179	ZXNHRIYBGOUOIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068372
c1(C(=O)Nc2c(Cl)ccc(Cl)c2)c2CCCc2n(C)n1	EMOLS-id_179745481,PC-id_110389139,MCULE-9263665290	310.179	IBTWWNAETHTRHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068373
Clc1ccc(c(c1)Cl)CCC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317950029	310.179	TVCPURHDPGBYQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068374
Clc1ccc(c(c1)Cl)C(=O)NCc1cnc2n1CCC2	MCULE-7374929048,EMOLS-id_319891173	310.179	NSXPFEMOMLNKAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068375
Clc1ccc(c(c1)Cl)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319392621	310.179	VMRBWLAGPSTTGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068376
Clc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_319369304	310.179	DXXKKFGYLAWNGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068377
Clc1cc(Cl)cc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-8078559831,EMOLS-id_319958386	310.179	UCSYYXQCSPGLIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068378
Clc1cc(CNC(=O)c2cnc3n2CCC3)cc(c1)Cl	EMOLS-id_318720972	310.179	IDRJKJJTODWGKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068379
Clc1cc(CNC(=O)c2cnn3c2CCC3)cc(c1)Cl	EMOLS-id_318747590	310.179	AMKNWRWBAUXFOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068380
Clc1cc(CNC(=O)c2nn3c(c2)CCC3)cc(c1)Cl	EMOLS-id_318608280	310.179	TZYJEQNEZCQSCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068381
Clc1c(C(=O)Nc2n(nc3c2CCC3)C)ccc(Cl)c1	PC-id_45536273	310.179	MFCQSFJRJJJJRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068382
Cn1c(NC(=O)c2c(Cl)ccc(Cl)c2)c2c(CCC2)n1	MCULE-7443731286,ZINC22_16848298,CoCoCo_5273000,EMOLS-id_22760381,PC-id_27376626	310.179	ZDHKLRUGNAIMLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068383
O=C(c1cc2n(n1)CCC2)NCc1ccc(c(c1)Cl)Cl	EMOLS-id_318809602	310.179	QANAAOWGPZTELK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068384
O=C(c1cccc(c1Cl)Cl)NCc1cnc2n1CCC2	EMOLS-id_318900047	310.179	QXUCTPMOLHPJQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068385
O=C(c1ccc(c(c1)Cl)Cl)NCc1cnc2n1CCC2	EMOLS-id_320260579,MCULE-8322108816	310.179	LBLSCUZNNDOWBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068386
O=Cc1c(C)nn2c1N(CC2)Cc1cc(Cl)cc(c1)Cl	SCHEMBL18758580	310.179	PEFCYFXXOITRKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068387
O=C(c1cnc2n1CCC2)NCc1cccc(c1Cl)Cl	EMOLS-id_318485273	310.179	VIWKYAKSUIEZLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068388
O=C(c1cnc2n1CCC2)NCc1ccc(c(c1)Cl)Cl	EMOLS-id_318716039	310.179	CROBXWLQPDGPCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068389
O=C(c1cnc2n1CCC2)NCc1c(Cl)cccc1Cl	EMOLS-id_318564071	310.179	FAPBPLIALIBUJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068390
O=C(c1cnn2c1CCC2)NCc1ccc(c(c1)Cl)Cl	EMOLS-id_318698786	310.179	AHHSPNNAGHIXPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068391
O=C(c1cnn2c1CCC2)NCc1cccc(c1Cl)Cl	EMOLS-id_318727244	310.179	PHUDPDSXCLZGQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068392
O=C(c1cnn2c1CCC2)NCc1c(Cl)cccc1Cl	EMOLS-id_318580881	310.179	KULUEVWJLPIMIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068393
O=C(c1nn2c(c1)CCC2)NCc1cccc(c1Cl)Cl	EMOLS-id_318709426	310.179	BJGGEPLPSYSGLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068394
O=C(c1nn2c(c1)CCC2)NCc1c(Cl)cccc1Cl	EMOLS-id_318749321	310.179	GFVVHGXPEYMBBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068395
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CNOC(=O)C(F)(F)F	PC-id_87852348,SCHEMBL5542823	310.187	HCKWQTYRUHMXQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068396
Brc1ccc(o1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318607520,MCULE-6857348969	310.19	JEAHMNXAAGORPB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-068397
Brc1cnn(c1)CCNC1CC(n2c1ncc2)C	EMOLS-id_317959271,MCULE-1948020047	310.193	UBUQZLZUAIJHSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068398
Brc1cnn(c1CNC1CC(n2c1ncc2)C)C	EMOLS-id_317930376	310.193	GJNITUBWDZFBJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068399
Brc1cnn(c1CNCc1cnc2n1CCC2)C	EMOLS-id_317949506,MCULE-8413755966	310.193	LBNKWGBSLRBXNH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068400
Cn1cc(c(n1)CNC1CC(n2c1ncc2)C)Br	EMOLS-id_317978502	310.193	FXQVDJSZVDUFLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068401
Cn1c(CNC2CC(n3c2ncc3)C)cnc1Br	EMOLS-id_318540773	310.193	SEHNNTBJVMPAIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068402
Cn1nc(c(c1)Br)CNCc1cnc2n1CCC2	EMOLS-id_317917606,MCULE-9043895238	310.193	WRULHVOFVIYXQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068403
Cn1nc(c(c1NCc1cnc2n1CCC2)Br)C	EMOLS-id_318577374	310.193	YEZGYUNSJSRPRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068404
O=S(=O)(N1Cc2c(C1)cn[nH]2)CC1(C)CC1(Cl)Cl	EMOLS-id_319934017,MCULE-2618499944	310.2	MGCGBECVGASAKR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068405
O=S(=O)(N1CCn2c1ncc2)CC1(C)CC1(Cl)Cl	MCULE-9566338364,EMOLS-id_320308254	310.2	FSDCYXXDOGXTQR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068406
Brc1ccc(CN2Cc3sc(nc3C2)N)cc1	PC-id_82194365	310.213	MNBXOSYBXAGRFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068407
Brc1c(C)ccnc1Nc1sc2c(n1)CCC2	PC-id_106876827	310.213	QTVYFSYMMUULDC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068408
Brc1cc(CN2Cc3sc(nc3C2)N)ccc1	PC-id_82194306	310.213	PJVMMMRPLWGTCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068409
Brc1ccc(nc1)C(c1sc2c(n1)CCC2)N	PC-id_104272587	310.213	UPLGLAAKWQWANY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068410
Brc1cccnc1NCc1sc2c(n1)CCC2	EMOLS-id_318437459,MCULE-1346358337	310.213	UFTXAWPJVSIMRM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068411
Brc1ccc(nc1)NCc1sc2c(n1)CCC2	EMOLS-id_318437715,MCULE-9214469262	310.213	SXQXYXMHBRSFDK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068412
Brc1ccnc(c1)NCc1sc2c(n1)CCC2	MCULE-3533675837,EMOLS-id_318442618	310.213	JZHWHFODIVUBRH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068413
Brc1c(NCc2sc3CCCc3c2)ncnc1	PC-id_66343010,EMOLS-id_41868523	310.213	KQIIZRIPXPWEBP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068414
Brc1cncc(c1)C(c1sc2c(n1)CCC2)N	PC-id_116064279	310.213	CSILZYRLYXOAKP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068415
Brc1cnc(c(c1)C)Nc1sc2c(n1)CCC2	PC-id_104030353	310.213	XAYFUCPNOUAXHK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068416
Brc1cnccc1NCc1sc2c(n1)CCC2	EMOLS-id_318437971,MCULE-9806425402	310.213	KXPLRZKQHOCYJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068417
Brc1cncc(c1)NCc1sc2c(n1)CCC2	MCULE-6965758050,EMOLS-id_318438227	310.213	GXRCJVVDTMLIDB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068418
Brc1cnc(nc1)NCc1sc2c(c1)CCC2	EMOLS-id_40088807,PC-id_63874173	310.213	WRCYODYXTCUOPY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068419
Brc1ncnc(c1)NCc1sc2c(c1)CCC2	PC-id_106194029	310.213	DKNNKASCQBFAHS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068420
Brc1sc2c(c1)C(CC2)NCc1cnccn1	EMOLS-id_317970094	310.213	NAOLZPXUNAMBLL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068421
Brc1sc2c(c1)C(CC2)NCc1ncccn1	EMOLS-id_317979476	310.213	ZINYUJSTCGEVRK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068422
BrCC1Cn2c(Cc3ccccc3)nnc2S1	PC-id_3679121,MCULE-4627454990,EMOLS-id_4409213,STOCK1S-79656	310.213	SBGHRZJDRZKUEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068423
BrC[C@H]1Sc2n(C1)c(nn2)Cc1ccccc1	PC-id_916347	310.213	SBGHRZJDRZKUEL-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068424
BrC[C@@H]1Sc2n(C1)c(nn2)Cc1ccccc1	PC-id_916348	310.213	SBGHRZJDRZKUEL-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-068425
Cc1cc(ncc1Br)Nc1sc2c(n1)CCC2	PC-id_114870334	310.213	WJUHREQBDAAPSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068426
Cc1cnc(c(c1)Br)Nc1sc2c(n1)CCC2	PC-id_105367806	310.213	ICHYIZURISWUPN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068427
Cc1nc(ccc1Br)Nc1sc2c(n1)CCC2	PC-id_108164262	310.213	OEDJKLLLONYPTN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068428
Clc1cc(CCCCn2cc3c(c2)COC3)ccc1Cl	PC-id_21421143,SCHEMBL11684799	310.218	HANSFAMTJXYAAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068429
CC(c1cc2n(n1)CCC2)NCc1ccc(c(c1)Cl)Cl	MCULE-3273552102,EMOLS-id_318193759	310.222	PPOBAOQRTFGGKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068430
CC(c1cccc(c1Cl)Cl)NCc1cnc2n1CCC2	EMOLS-id_318189438,MCULE-4006005017	310.222	PXTDYOZUQBZFOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068431
CC(c1nn2c(c1)CCC2)NCc1cccc(c1Cl)Cl	MCULE-9981818900,EMOLS-id_318134672	310.222	ZTRITAVGMBRUGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068432
CC(c1nn2c(c1)CCC2)NCc1c(Cl)cccc1Cl	EMOLS-id_318158843,MCULE-2388936952	310.222	ZFCVFRUMGILCOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068433
CC(Cc1c(Cl)cccc1Cl)NC1CCn2c1ncc2	MCULE-9815612879,EMOLS-id_318233349	310.222	OUAMVOKELHHLMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068434
Clc1ccc(c(c1)[C@@H](NCc1cnc2n1CCC2)C)Cl	MCULE-4975210521,EMOLS-id_318198280	310.222	WXPQRAWYZNCPFG-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-068435
Clc1ccc(c(c1)[C@H](NCc1cnc2n1CCC2)C)Cl	MCULE-5921678191,EMOLS-id_318387972	310.222	WXPQRAWYZNCPFG-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068436
Clc1ccc(c(c1)Cl)[C@@H](NCc1cnc2n1CCC2)C	MCULE-4259162263,EMOLS-id_318135471	310.222	DWOUMMXDFGSFMX-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-068437
Clc1ccc(c(c1)Cl)[C@H](NCc1cnc2n1CCC2)C	MCULE-6035664477,EMOLS-id_318010461	310.222	DWOUMMXDFGSFMX-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068438
Clc1ccc(c(c1)Cl)C(NCc1cnc2n1CCC2)C	MCULE-7329835391,EMOLS-id_318010717	310.222	DWOUMMXDFGSFMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068439
Clc1ccc(c(c1)Cl)C(NCc1nn2c(c1)CCC2)C	EMOLS-id_318285843,MCULE-4305009910	310.222	VHVMCVTWKBLFLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068440
Clc1cc(CNC(c2nn3c(c2)CCC3)C)cc(c1)Cl	EMOLS-id_318169862,MCULE-9058558278	310.222	KQQDWRHGEVXMMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068441
BrCS(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_83086563,EMOLS-id_262403465	310.231	FLKAVYTVPHHUJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068442
N#Cc1c(sc2c1CCC2)NC(=O)C(C(F)(F)F)(F)F	PC-id_108094923	310.243	UOZGRUFNJHJLKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068443
O=C(c1occ2c1CCC2)NCc1cccc(n1)C(F)(F)F	EMOLS-id_318565498	310.271	KHBGSNCMTVTZEE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068444
O=C(c1occ2c1CCC2)NCc1ccnc(c1)C(F)(F)F	EMOLS-id_318764416	310.271	GAUMXWYZTLSDOU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068445
O=C(c1occ2c1CCC2)NCc1cnccc1C(F)(F)F	EMOLS-id_318634572	310.271	MLSQHWJTILJQAS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068446
O=C(c1occ2c1CCC2)NCc1cncc(c1)C(F)(F)F	EMOLS-id_318758734	310.271	DULFOSQGWSPLGM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068447
Cn1nc2c(c1/C=C/c1nc(O)cc(C(F)(F)F)n1)CCC2	ZINC22_899383723	310.274	AADSDISRUAOUKY-AATRIKPKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068448
Fc1ccc(cc1)C(C(=O)NCc1nnc2n1CCC2)(F)F	EMOLS-id_318462873	310.274	AQMDRXSVXJDZPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068449
Fc1cc(F)c(c(c1)F)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318666033	310.274	YEIQVFICTOENBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068450
FC(F)(F)c1cc(C(=O)NCc2n3CCCc3nn2)ccc1	EMOLS-id_318692751,PC-id_52024812	310.274	MONIKATYTSYMCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068451
FC(F)(F)c1c(C(=O)NCc2n3CCCc3nn2)cccc1	PC-id_52024817,EMOLS-id_318515411	310.274	ZSLFNVJJLFDMCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068452
NC(=O)c1cnn2c1N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740043	310.274	LFKKIJQGRYIUQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068453
O=C(c1cc2n(n1)CCC2)NCc1ccnc(c1)C(F)(F)F	EMOLS-id_318555599	310.274	PLNRVJGYZVXZDT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068454
O=C(c1cc2n(n1)CCC2)NCc1cncc(c1)C(F)(F)F	EMOLS-id_318521072	310.274	WRNYYQSMRDFVKK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068455
O=C(c1ccc(cn1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319049033	310.274	OHMFDZJYSSPTIJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068456
O=C(c1ccc(nc1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_320195641,MCULE-3961862777	310.274	YFSYSDGMYJZCPF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068457
O=C(c1cccnc1C(F)(F)F)NCc1n[nH]c2c1CCC2	MCULE-6522825868,EMOLS-id_320287767	310.274	ZAUTUNXHSAICDV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068458
O=C(c1ccncc1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318998999	310.274	ZZBMMTZQEINXNZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068459
O=C(c1ccnc(c1)C(F)(F)F)NCc1n[nH]c2c1CCC2	MCULE-5803224705,EMOLS-id_320140390	310.274	JTTRZPCOKAVYAP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068460
O=C(c1cnc2n1CCC2)NCc1cccc(n1)C(F)(F)F	EMOLS-id_318740872	310.274	NYTWISDRWJSKKQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068461
O=C(c1cnc2n1CCC2)NCc1ccnc(c1)C(F)(F)F	EMOLS-id_318608525	310.274	XQBVDABYAAJDSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068462
O=C(c1cnc2n1CCC2)NCc1cnccc1C(F)(F)F	EMOLS-id_318641004	310.274	MGWBXMRRUIDKFM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068463
O=C(c1cnc2n1CCC2)NCc1cncc(c1)C(F)(F)F	EMOLS-id_318704201	310.274	SZYMPRKEIHDWDP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068464
O=C(c1cnccc1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318924939	310.274	VRUNNFNGKBHKBK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068465
O=C(c1cnn2c1CCC2)NCc1cccc(n1)C(F)(F)F	EMOLS-id_318592884	310.274	CAFULCFNJOYQTM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068466
O=C(c1cnn2c1CCC2)NCc1ccnc(c1)C(F)(F)F	EMOLS-id_318413044	310.274	YQNNZHVIFPRAOU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068467
O=C(c1cnn2c1CCC2)NCc1cncc(c1)C(F)(F)F	EMOLS-id_318592721	310.274	MFTMJJVFPUZNCT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068468
O=C(c1cnn2c1CCC2)NCc1cnccc1C(F)(F)F	EMOLS-id_318711838	310.274	PNXPAKBYKODBKH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068469
O=C(C1NCc2c1c[nH]n2)Nc1cccc(c1)CC(F)(F)F	MCULE-9060694613,EMOLS-id_320245884	310.274	KUILAQUXOGKIJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068470
O=C(C1NCc2c1c[nH]n2)Nc1ccc(c(c1)C(F)(F)F)C	EMOLS-id_319986252,MCULE-9709576986	310.274	LATYBRGODXHABC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068471
O=C(C1NCc2c1c[nH]n2)NCc1cccc(c1)C(F)(F)F	EMOLS-id_318925260	310.274	ZSLVVRFAKMCNNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068472
O=C(C1NCc2c1c[nH]n2)N(Cc1cc(F)c(c(c1)F)F)C	EMOLS-id_318945991	310.274	ANYNIMRMZVAKFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068473
O=C(c1ncccc1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320128307,MCULE-5132079909	310.274	VPSUGBMEJAAYPS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068474
O=C(c1nn2c(c1)CCC2)NCc1cccc(n1)C(F)(F)F	EMOLS-id_318637977	310.274	DXORRHBAJPYYIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068475
O=C(c1nn2c(c1)CCC2)NCc1cnccc1C(F)(F)F	EMOLS-id_318768914	310.274	RYLVILFCKLTRCI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068476
O=C(c1n[nH]c2c1CCC2)Nc1cnc(c(c1)C)C(F)(F)F	MCULE-5285216496,EMOLS-id_320320337	310.274	YXWHQMRUGKGUMS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068477
O=C(CN1CCn2c1ncc2)Nc1ccc(cc1)C(F)(F)F	EMOLS-id_318582818	310.274	VQSQYDIPWLCLDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068478
O=C(CN1CCn2c1ncc2)Nc1cccc(c1)C(F)(F)F	EMOLS-id_318702125	310.274	UWQOIYSWWIQSKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068479
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1ccccn1	EMOLS-id_318698165	310.274	RMWSVDKPYCKHIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068480
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1cccnc1	EMOLS-id_318739287	310.274	NCQFJNMDHYYIDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068481
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1ccncc1	EMOLS-id_318503563	310.274	YOVJFOOZADYHNR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068482
O=C(N1CCn2c1ccn2)CNc1cccc(c1)C(F)(F)F	EMOLS-id_318277809	310.274	ZDRAACNMQSLNGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068483
O=C(N1CCn2c1ncc2)CNc1cccc(c1)C(F)(F)F	EMOLS-id_318648366	310.274	NTLHBDGCKJCOFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068484
O=C(N1CCn2c1ncc2)Nc1cc(ccc1C)C(F)(F)F	EMOLS-id_319013317	310.274	GCIDVFDFMSAVKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068485
O=C(N1CCn2c1ncc2)Nc1ccccc1CC(F)(F)F	MCULE-4687692152,EMOLS-id_320314149	310.274	YOZVLTLSUOIPMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068486
O=C(Nc1ccccc1C(F)(F)F)CN1CCn2c1ncc2	EMOLS-id_318734486	310.274	AHFUXDCZLMODNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068487
O=C(NCc1nnc2n1CCC2)c1ccc(C(F)(F)F)cc1	CoCoCo_4491037,PC-id_17513935,ZINC22_12890450,MCULE-7317471424,EMOLS-id_16716153	310.274	BQJXYRIYPFLKGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068488
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCNC(C1)C(=O)[O-]	PC-id_89437568,SCHEMBL14775531	310.286	GZLYLSWFFQLQOG-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-068489
O1C(CN2CCN(CC2)C(=O)[O-])(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23080253,SCHEMBL4441676	310.286	RYGVHSSVVGDKKI-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-068490
O1[C@@](CN2CCN(CC2)C(=O)[O-])(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69045971,SCHEMBL4441680	310.286	RYGVHSSVVGDKKI-LBPRGKRZSA-M	00000010100010000001000010000000000000000000000000000000	25-01-068491
O1[C@](CN2CCN(CC2)C(=O)[O-])(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69046241,SCHEMBL4442216	310.286	RYGVHSSVVGDKKI-GFCCVEGCSA-M	00000010100010000001000010000000000000000000000000000000	25-01-068492
[O-]C(=O)[C@@H]1NCCN(C1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL14775533	310.286	GZLYLSWFFQLQOG-SZSXPDSJSA-M	00000010100010000001000010000000000000000000000000000000	25-01-068493
CC1=NC(=O)c2c1c([se]c2C(C)(C)C)C(C)(C)C	PC-id_145552804	310.293	AZRIJYLNWKDTPR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-068494
OC(=O)C1CCc2c1nc(s2)NCCOCC(F)(F)F	PC-id_104288804	310.293	HGLQGJOVTYYNTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068495
s1c2CCCc2nc1Nc1nc(ccc1C#N)C(F)(F)F	PC-id_79875306	310.298	DWJVEKWHTNFWNJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068496
Cc1cc(C(=O)NC[C@H]2Cc3nnc(C)n3C2)nn1C(F)F	ZINC22_2100543504	310.303	SHXHHXCBJREYSV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068497
Cc1cc(C(=O)NC[C@@H]2Cc3nnc(C)n3C2)nn1C(F)F	ZINC22_2100543505	310.303	SHXHHXCBJREYSV-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-068498
Cc1cc(nn1C(F)F)C(=O)NCC1Cc2nnc(C)n2C1	EMOLS-id_337668313,MCULE-2257682333	310.303	SHXHHXCBJREYSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068499
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)c(n[nH]2)C(=O)N	PC-id_68985267,SCHEMBL4281894	310.304	OKTNEKQYXQQGHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068500
CCOC(=O)n1nc2c(c1NC(=O)C)CN(C2(C)C)C(=O)O	PC-id_71191433,SCHEMBL14522074	310.306	LQGWVTXTQXFBRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068501
O1C(Cn2c1nc([N+](=O)[O-])c2)(COC(=O)N1CCCCC1)C	SCHEMBL5539070,PC-id_23081360	310.306	IHRZEKOUWZPACN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068502
O1C(CN2CCC(CC2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081191,SCHEMBL5534828	310.306	KZZLXLUONVSCKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068503
O1[C@@](CN2CCC(CC2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5534825,PC-id_69479147	310.306	KZZLXLUONVSCKO-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068504
N#Cc1c(N)c(C(=O)Nc2ccc(C(=O)O)cc2)n2c1CCC2	CHEMBL573661,PC-id_45112332	310.307	RWBMZYOEMMCGNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068505
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1cccc(c1)C#N	PC-id_46184903,SCHEMBL12307458	310.311	QNEZWIDOOSUWNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068506
O=C(c1cc[nH]n1)N1Cc2[nH]nc(COc3cccnc3)c2C1	ZINC22_1565545995,EMOLS-id_313784728	310.311	TWWBAKMGVKNCPD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068507
c1(C(=O)NCc2[nH]nc(c3cnccn3)n2)c2CCCc2[nH]n1	EMOLS-id_49879380,MCULE-6460717247,PC-id_77085970,ZINC22_215549512	310.314	JQYYSWMWEADTDM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-068508
CC1CCc2c1c(CO)nn2Cc1ccccc1C(F)(F)F	EMOLS-id_331007734,MCULE-2559765410	310.314	SGZUFKQJXBBENH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068509
CC1CCc2c1c(CO)nn2Cc1ccc(cc1)C(F)(F)F	EMOLS-id_331009525,MCULE-1616678691	310.314	BQMFQBJDOPJVQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068510
CC1CCc2c1c(CO)nn2Cc1cccc(c1)C(F)(F)F	MCULE-1759488919,EMOLS-id_331009782	310.314	YNUQSFUFYJQECV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068511
CC1CCc2c1c(O)nn2Cc1cc(ccc1C)C(F)(F)F	EMOLS-id_330960373,MCULE-1464742101	310.314	IUMKGZIDVRIRSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068512
CC1CCc2c1c(O)nn2Cc1cccc(c1C)C(F)(F)F	MCULE-3237092243,EMOLS-id_330957046	310.314	ZDOFOYIUBGCYRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068513
CC1CCc2c1c(O)nn2Cc1ccc(C)c(c1)C(F)(F)F	MCULE-2958771013,EMOLS-id_330960629	310.314	NYMLZHSFYZCQMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068514
CC1CCc2c1c(O)nn2Cc1cc(C)cc(c1)C(F)(F)F	MCULE-9934942987,EMOLS-id_330960885	310.314	WAADXOLZVYDLSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068515
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(O)c12	EMOLS-id_331006627,MCULE-7815509822	310.314	STIYTQGJEDHQJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068516
S1Cc2c(noc2NC(=O)CCN2CCC(=O)NC2=O)C1	PC-id_75118953	310.329	HMLGENDKZNJAMP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068580
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(O)c12	EMOLS-id_331007395,MCULE-3314515133	310.314	UTADWLKHJAZCCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068517
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(CO)c12	EMOLS-id_330990513,MCULE-4558164104	310.314	JRGFWORVKDALQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068518
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(CO)c12	EMOLS-id_330992304,MCULE-7195021176	310.314	BJBUARMIGZARBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068519
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(CO)c12	EMOLS-id_330992561,MCULE-4360787758	310.314	YSEXIZVCXOLSPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068520
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(O)c12	EMOLS-id_331007139,MCULE-6918835541	310.314	BIFMZLYNKWEKDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068521
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(O)c12	MCULE-8960836033,EMOLS-id_331006883	310.314	GXZFGBXNQJTJMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068522
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1O	EMOLS-id_331007140,MCULE-7464292351	310.314	HQFFVUPTWBKJDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068523
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1O	EMOLS-id_331008934,MCULE-8448305911	310.314	HSLNVCRWKQICHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068524
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-6710404365,EMOLS-id_331006632	310.314	CELVLNRMRGTKLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068525
O=C(NCc1nnc2n1CCC2)c1cccnc1n1cncn1	EMOLS-id_36628872,ZINC22_43689433,PC-id_53530745,MCULE-2230652360	310.314	DQJGBRNHSJAGGZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068526
O=C(NCc1nnc2n1CCC2)c1ccnc(n2cncn2)c1	EMOLS-id_48778824,PC-id_51091745,ZINC22_53792917,MCULE-9199133294	310.314	FUSPICONFHOUSC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068527
CC1(CCc2cn(nc12)CC(CCC(F)(F)F)(C#N)C#N)C	PC-id_86612641,SCHEMBL3980186	310.317	UMKJXHAGSDOFRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068528
CC1(CCc2cn(nc12)CC(CC(F)(F)F)C(C#N)C#N)C	SCHEMBL3980183,PC-id_87604964	310.317	GWEXJMCOCMCGMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068529
CC1CC(c2n1ccn2)NCCc1nccc(c1)C(F)(F)F	MCULE-4677867222,EMOLS-id_318730100	310.317	BBFSIBOTJOAZQV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068530
CC1CC(c2n1ncn2)NC(c1ccccc1)CC(F)(F)F	EMOLS-id_318530804,MCULE-3439062567	310.317	AFUUDDWLTFCZJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068531
CC1CC(c2n1ncn2)NCCc1ccc(cc1)C(F)(F)F	EMOLS-id_318465365,MCULE-5993104832	310.317	MYMZDDWTIDTCNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068532
CC1CC(c2n1ncn2)NCCc1ccccc1C(F)(F)F	MCULE-6925109837,EMOLS-id_318478405	310.317	SOHLQTKFCLZGRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068533
CC1CC(c2n1ncn2)NCC(C(F)(F)F)c1ccccc1	MCULE-8941128096,EMOLS-id_318606614	310.317	ZOTRAUOZLQKPKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068534
Cc1cc(ccc1CNCc1nnc2n1CCC2)C(F)(F)F	EMOLS-id_318664843,MCULE-4397544808	310.317	KILZHGLZVGTVPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068535
CC(c1cc2n(n1)CCC2)NCc1ccnc(c1)C(F)(F)F	EMOLS-id_318167256,MCULE-7593710773	310.317	DHCZVESYWVXAOJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068536
CC(c1cc2n(n1)CCC2)NCc1cncc(c1)C(F)(F)F	EMOLS-id_318528819,MCULE-6596863790	310.317	BUXMYERQUMNXBK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068537
CC(c1ccccc1C(F)(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_318108488,MCULE-6836054450	310.317	POTTVDAEPMQNKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068538
CC(c1cccc(c1)C(F)(F)F)NC1CC(n2c1ncn2)C	MCULE-4353161350,EMOLS-id_318306586	310.317	HMZKHOCNZBZQLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068539
CC(c1cccc(c1)C(F)(F)F)NCc1nnc2n1CCC2	EMOLS-id_318499035,MCULE-9689410152	310.317	NJMANDYONKVNAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068540
CC(c1ccccc1C(F)(F)F)NCc1nnc2n1CCC2	EMOLS-id_318617886,MCULE-5256660690	310.317	CUGUYVAWSZFQQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068541
CC(c1ccc(cc1)C(F)(F)F)NCc1nnc2n1CCC2	EMOLS-id_318633983,MCULE-1387603679	310.317	ITGDEGRFCPVGPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068542
CC(c1nn2c(c1)CCC2)NCc1cccc(n1)C(F)(F)F	EMOLS-id_318702316,MCULE-4409317167	310.317	WRZWCUXNNLBRFY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068543
CC(c1nn2c(c1)CCC2)NCc1cnccc1C(F)(F)F	MCULE-9655259099,EMOLS-id_318038447	310.317	UFCUWPBSVZZWCZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068544
CC(c1nnc2n1CCC2)NCc1cccc(c1)C(F)(F)F	EMOLS-id_318070978,MCULE-9710873799	310.317	QFYAOEHCSRGOQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068545
CC(c1nnc2n1CCC2)NCc1ccccc1C(F)(F)F	EMOLS-id_318156218,MCULE-4416256204	310.317	SWZIOYSAOYQECI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068546
CC(c1nnc2n1CCC2)NCc1ccc(cc1)C(F)(F)F	MCULE-4068938978,EMOLS-id_318179500	310.317	ZASFRSGZRMWRIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068547
FC(F)(F)CCC([N+]#[C-])(Cn1nc2C(CCc2c1)(C)C)C#N	PC-id_57712431	310.317	KAEYYPWLMHQHPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068548
C1c2nc(S)n(C(=O)c3ccc(OC(F)F)cc3)c2CC1	SCHEMBL10012367,ZINC22_6472096,PC-id_4384659,MCULE-8806983714	310.319	GDYLBKQRGWELME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068549
COc1ccc(c(c1F)C(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318477699	310.319	WVPAQSIQNNZZOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068550
COc1cc(F)c(c(c1)F)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318652720	310.319	PYANSVYMIHIUNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068551
COc1c(F)ccc(c1C(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318567570	310.319	PDFCTSAOOGQUSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068552
COc1c(F)ccc(c1F)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318721777	310.319	KIDWEJYKLKSCAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068553
Fc1cc(cc(c1NCc1sc2c(c1)CCC2)F)[N+](=O)[O-]	PC-id_108168168	310.319	XAYLOYDXHSVGFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068554
Fc1cc(NCc2sc3c(c2)CCC3)c(c(c1)F)[N+](=O)[O-]	PC-id_115507793	310.319	VMNQNLKGACEJCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068555
O=C(COc1ccc(F)cc1F)Nc1nc2c(s1)CCC2	EMOLS-id_31890381,PC-id_32180510,ZINC22_24862754,MCULE-2379271743,CoCoCo_4782972	310.319	XXQHGOPRDNYSGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068556
O=C(Nc1nc2c(s1)CCC2)c1ccccc1OC(F)F	MCULE-5872853117,CoCoCo_4164168,PC-id_25617449,ZINC22_12935367,EMOLS-id_24106671	310.319	GTAPWBRCCWDERW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068557
O=C(Nc1nc2c(s1)CCC2)c1cccc(OC(F)F)c1	CoCoCo_4164037,ZINC22_13023134,PC-id_25676368,MCULE-7453472866,EMOLS-id_24132256	310.319	FEWIVYRNZBYROV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068558
O=C(Nc1nc2c(s1)CCC2)c1ccc(OC(F)F)cc1	CoCoCo_4164156,EMOLS-id_24102194,PC-id_25629719,MCULE-5752240272,ZINC22_12952038	310.319	VPAZFCDYTBETCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068559
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)c(cc1F)C	PC-id_103587772	310.319	ZNFWATUWFPBNRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068560
OC(=O)C1CCc2c1nc(s2)Nc1c(F)ccc(c1F)C	PC-id_104289195	310.319	SOZDBUMARPBPRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068561
OC(=O)C1CCc2c1nc(s2)NCc1ccc(c(c1)F)F	PC-id_104288213	310.319	MHERTBIUHLBYNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068562
OC(=O)C1CCc2c1nc(s2)NCc1ccc(cc1F)F	PC-id_104288561	310.319	OCKOAPGLQGMHIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068563
OC(=O)C1CCc2c1nc(s2)NCc1cc(F)ccc1F	PC-id_104288790	310.319	LWQSFNHWIZZZFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068564
s1c2c(CCC2)cc1CNc1c([N+](=O)[O-])ccc(F)c1F	PC-id_62531791	310.319	VDXZCOWGASNRQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068565
OCC1(CC1)c1ccc(c(c1)F)C#Cc1cn2c(c1)CNC2=O	PC-id_140310332	310.322	GQQNPGKNSTWPNM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068566
s1c2CCCc2nc1NC(=O)c1cc(F)c(NN)c(F)c1	PC-id_63186558	310.322	NDMMRVYSHXWWMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068567
c12CN(Cc1nn(CCF)c2C(=O)NC1CC1)C(=O)OCC	MCULE-4533470871,EMOLS-id_324354406	310.324	JQAMYFVMGSWAGI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068568
C=CCOc1ccc(cc1)C(=O)c1ccc2n1CC[C@H]2C(=O)[O-]	GD-id_ZINC25996619	310.324	SMXPHWBFJGPKEI-CQSZACIVSA-M	00000010100000110000000010000000000000000000000000000000	25-01-068569
COC(=O)c1c(NC(=O)N2CCC(CC2)F)nc2n1CCC2	EMOLS-id_319217468	310.324	PMYLJEDXTDRTGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068570
O/C(=C/[N+]#N)/C1CCn2c1ccc2C(=O)c1ccc(OC)cc1	PC-id_24851371	310.327	KMNXJQNOCRKLBJ-MHWRWJLKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-068571
OC(=C[N+]#N)C1CCn2c1ccc2C(=O)c1ccc(OC)cc1	PC-id_74333015	310.327	KMNXJQNOCRKLBJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-068572
Cc1nc(c(o1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_110420947	310.329	JOJVUGDFXZAHJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068573
Cc1nc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c(C)o1	MCULE-6107977351,EMOLS-id_110874294,ZINC22_408129884	310.329	BXODHEXXOHFDEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068574
Cc1noc(C)c1S(=O)(=O)NC(=O)c1cnn2c1CCC2	MCULE-5054250568,ZINC22_408484599,EMOLS-id_112076591	310.329	MQROJXCSUGFFAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068575
CNS(=O)(=O)c1oc(c(c1)C(=O)N1CCn2c1ncc2)C	EMOLS-id_320289161,MCULE-4508896376	310.329	OZPSRZUCMOAAQU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-068576
O=C1NCC(N(C1)C(=O)Nc1sc2c(n1)CCC2)C(=O)O	PC-id_107438336	310.329	ILWAXUGNWKEOOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068577
O=C(c1cc2n(n1)CCC2)NS(=O)(=O)c1c(C)noc1C	EMOLS-id_112076606	310.329	KBGKBBJUSMHWHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068578
O=C(c1occc1C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2918135,PC-id_68440528	310.329	PCNLPLDNUYMADM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-068579
O=C(c1nnn(c1C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389675	310.332	RFOPNYUREKGNJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068581
Cc1cc(ccc1C(=O)c1sc2c(c1)CCC2)C(F)(F)F	PC-id_102757325	310.334	DZSLIYBMGNKOLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068582
O=C(c1sc2c(c1)CCC2)Cc1cccc(c1)C(F)(F)F	PC-id_114966383	310.334	NUTJFRZKDRPUAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068583
s1c2CCCc2cc1C(=O)Cc1ccc(cc1)C(F)(F)F	PC-id_63527690	310.334	JRKXEWXAVVHWFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068584
COc1ccc(cc1F)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318486023	310.344	BGUFJRFHWCGAEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068585
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OC	PC-id_4322754	310.346	GWMTWDVPECKOSZ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-068586
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OCC	PC-id_3511156	310.346	YSOYOJOVFAWJCR-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-068587
Cc1ccc(F)c(S(=O)(=O)NCc2nnc3n2CCC3)c1	EMOLS-id_35708292,PC-id_53498414,ZINC22_48333265,MCULE-8836321743	310.347	HBXYUOHKUBIKCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068588
Cc1ccc(S(=O)(=O)NCc2nnc3n2CCC3)cc1F	ZINC22_40527131,PC-id_45821763,CoCoCo_4890765,EMOLS-id_31949735,MCULE-4386764628	310.347	SOUQLLWXFNBEQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068589
CCOC(=O)c1c(c2c(n1C)N=C(C2)Cc1ccccc1)C=O	PC-id_137508502,SCHEMBL20753343	310.347	ZKMBEIOFZBXXJK-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-068590
O=C1CCCN1c1ccc(cc1)NC(=O)c1occ2c1CCC2	EMOLS-id_318590989	310.347	GNEOOCUCOQGAMN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-068591
O=C1CCCN1c1ccccc1NC(=O)c1occ2c1CCC2	EMOLS-id_318654854	310.347	RDMDYLPWKHMEIS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-068592
O=C1CCCN1c1cccc(c1)NC(=O)c1occ2c1CCC2	EMOLS-id_318722941	310.347	DHHBTQVUGCZMSG-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-068593
O=C1CC(CN1c1ccccc1)NC(=O)c1occ2c1CCC2	EMOLS-id_318766510	310.347	VAEDUCNIQZYOHQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-068594
O=S(=O)(Cc1ccc(F)cc1)NCc1nnc2n1CCC2	ZINC22_65393136,EMOLS-id_35708294,PC-id_53499925,MCULE-8380185737	310.347	PHYVFYIASIKGCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068595
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(F)cc1	PC-id_16621886	310.347	IUSBYSXTJPOLGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068596
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1ccc(F)cc1	PC-id_61053062	310.347	AJSIBKQSHDPXIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068597
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(F)cccc1	PC-id_60707781	310.347	VSVNSVWDHWZAME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068598
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1c(F)cccc1	PC-id_61053063	310.347	WJRVHZHAHBNBLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068599
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)COCC)C2)n1	MCULE-4394915366,EMOLS-id_316330812	310.349	BEYRECZELLMJJB-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-068600
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)COCC)Cc12	EMOLS-id_316323127,MCULE-2057079060	310.349	MHOJVYLUKOKRQK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-068601
CC(C)(C)OC(=O)NCCC(c1c2N(CCn2nc1)C=O)O	SCHEMBL4204213,PC-id_86626041	310.349	TYKHEXHBCNGHLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068602
CCOC(=O)n1nc2c(c1N)CN(C2C)C(=O)OC(C)(C)C	PC-id_142739754	310.349	ZJGUBTRMEAFDFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068603
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC	PC-id_143531800	310.349	CRVQOGBNFWAETD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068604
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)COCC	MCULE-6201340383	310.349	MHOJVYLUKOKRQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068605
COCCNC(=O)c1nn2c(c1)CC(C2)NC(=O)COCC	MCULE-2680966440	310.349	BEYRECZELLMJJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068606
COC(=O)c1c(NC(=O)N(CC(O)(C)C)C)nc2n1CCC2	EMOLS-id_319436092	310.349	MAJXBQWLDODWJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068607
COC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)N	PC-id_68649553,SCHEMBL3457767	310.349	BKMNYINEVCRRLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068608
c12CN(Cc1n(nc2)CCO)Cc1coc(c2ccccc2)n1	PC-id_77081687,MCULE-7165841354,ZINC22_215206539,EMOLS-id_49871872	310.35	RULCCKHDTSTNCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068609
c12CN(Cc1nn(CCC)c2C#N)C(=O)OCc1ccccc1	MCULE-8993770447,EMOLS-id_324354411	310.35	JLPNXHIYKYMOHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068610
c1cncc(COCc2n[nH]c3c2CN(Cc2ccco2)C3)c1	PC-id_97520307,EMOLS-id_44372008,ZINC22_96260230	310.35	CAJBSUWWWDSYIQ-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-068611
C1CN(C(=O)C1C(=O)N1CCn2c1ccn2)Cc1ccccc1	MCULE-3077959720,PC-id_136565175,EMOLS-id_313184846	310.35	BPEPKZVCUXHMHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068612
c1(C(=O)Nc2cccc(c2)N2CCCC2=O)c2CCCc2[nH]n1	MCULE-3089107500,EMOLS-id_323260345	310.35	UNNVAWXAQLAGSX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068613
c1(C(=O)NN=Cc2cccc(CC=C)c2O)c2CCCc2[nH]n1	MCULE-5643985578	310.35	ZMCXCXPNBWOJBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068614
c1(C(=O)NN=CC=Cc2ccccc2OC)c2CCCc2[nH]n1	PC-id_3725444,MCULE-9530285031	310.35	SWWWGRGNXABSNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068615
CC1CC1C(=O)Nc1ccc(cc1)C(=O)N1CCn2c1ccn2	EMOLS-id_316847469,MCULE-9784688052	310.35	TYHSHLDSKAZUTI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068616
Cc1c(ccc(c1)O)N=C1C(=Cc2nc(nn12)C(C)(C)C)C=O	PC-id_137067930	310.35	KDNFGWDGFVELDM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068617
Cc1onc(c1c1ccc(cc1)OCc1nnc2n1CCC2)C	EMOLS-id_319676862	310.35	VTXSYHGYJQWZPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068618
C=CCc1cccc(c1O)/C=NNC(=O)c1[nH]nc2c1CCC2	PC-id_135909106,CoCoCo_1723165,CoCoCo_1723163	310.35	ZMCXCXPNBWOJBL-ZDLGFXPLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068619
C=CCc1cccc(c1O)/C=N/NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_26304914,CoCoCo_1723164,PC-id_135554341,STOCK3S-42283,CoCoCo_1723162	310.35	ZMCXCXPNBWOJBL-VCHYOVAHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068620
C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCn3cncc23)cc1	ZINC22_1875373941	310.35	VEQQMTXGQYPIBF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068621
C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCn3cncc23)cc1	ZINC22_1875373942	310.35	VEQQMTXGQYPIBF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068622
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCn3nccc23)cc1	ZINC22_375593017	310.35	TYHSHLDSKAZUTI-BXUZGUMPSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068623
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCn3nccc23)cc1	ZINC22_375593018	310.35	TYHSHLDSKAZUTI-FZMZJTMJSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068624
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCn3nccc23)cc1	ZINC22_375593019	310.35	TYHSHLDSKAZUTI-RISCZKNCSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068625
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCn3nccc23)cc1	ZINC22_375593020	310.35	TYHSHLDSKAZUTI-SMDDNHRTSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068626
COc1ccccc1/C=CC=N/NC(=O)c1[nH]nc2c1CCC2	CoCoCo_6003663,CoCoCo_6003667	310.35	SWWWGRGNXABSNC-WTVWNBRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068627
COc1ccccc1/C=C/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_6003664,CoCoCo_6003668	310.35	SWWWGRGNXABSNC-PFKIIUHPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068628
COc1ccccc1/C=CC=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_6003669,CoCoCo_6003665	310.35	SWWWGRGNXABSNC-FBNMAYGTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068629
COc1ccccc1/C=C/C=N/NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_206963703,CoCoCo_6003662,STOCK3S-31602,PC-id_6864409,CoCoCo_6003666	310.35	SWWWGRGNXABSNC-FJIBGIISSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068630
N#Cc1ccc(cc1)OC(C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_320057019,MCULE-3345985192	310.35	OYZJOGNPFFWQOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068631
N#Cc1cccc(c1)OC(C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319318961	310.35	WRJVGQFBTXBCBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068632
O=C1CCCN1c1ccc(cc1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318463807	310.35	DCHNQHIPGSDPNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068633
O=C1CCCN1c1ccccc1NC(=O)c1cnc2n1CCC2	EMOLS-id_318596751	310.35	JNLXATNHLQLESI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068634
O=C1CCCN1c1cccc(c1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318609302	310.35	KXPRUCFAISIAHU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068635
O=C1CCCN1c1ccccc1NC(=O)c1cnn2c1CCC2	EMOLS-id_318485956	310.35	CBKAJNKMYZHFJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068636
O=C1CCCN1c1cccc(c1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318552132	310.35	BNBKMQKFEJDXQX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068637
O=C1CCCN1c1ccc(cc1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318755695	310.35	PRMRSDAMJKWUMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068638
O=C1CCCN1c1cccc(c1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318479548	310.35	ZBKSSRCGZYCNMS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068639
O=C1CCCN1c1ccccc1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318583684	310.35	NKOGQXDHMIJUGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068640
O=C1CCCN1c1ccc(cc1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318719323	310.35	LYOYOOYTGNCJLO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068641
O=C1[C@@H](C(=O)N2CCn3nccc23)CCN1Cc1ccccc1	ZINC22_935879521	310.35	BPEPKZVCUXHMHG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068642
O=C1[C@H](C(=O)N2CCn3nccc23)CCN1Cc1ccccc1	ZINC22_935879524	310.35	BPEPKZVCUXHMHG-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068643
O=C1CN(CN1Cc1ccccc1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98282214	310.35	JMFISOVMFILHAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068644
O=C1NCC(C1)c1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100924152	310.35	UQTXXDUJVDVHMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068645
O=C(c1c2c(CCC2)[nH]n1)Nc1ccc(N2C(=O)CCC2)cc1	MCULE-6922256679,EMOLS-id_98334672	310.35	TWWASYQTPQRJEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068646
O=CC1=Cc2n(/C/1=Nc1ccc(cc1C)O)nc(n2)C(C)(C)C	SCHEMBL16317101	310.35	KDNFGWDGFVELDM-SDXDJHTJSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068647
O=C(C1ON=C(C1)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318729305	310.35	ILCMJGXNLQZVPV-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-068648
O=C(n1nc(NC(=O)c2ccc(cc2)C)c2c1CNC2)C1CC1	PC-id_71477109	310.35	DAISAYHGLBAKDW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068649
O=C(n1nc(NC(=O)Cc2ccccc2)c2c1CNC2)C1CC1	PC-id_71477259	310.35	ZMNAJASEWMYARW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068650
O=C(NN/C=C
/C(=O)C(=CC=C1)CC=C)c1n[nH]c2CCCc12	PC-id_5400009	310.35	NTPJXXJYBVTNAU-ZRDIBKRKSA-N	00000010100011000001000010000000000000000000000000000000	25-01-068651
O=C(NN/C=C/1C(=O)C(=CC=C1)CC=C)c1n[nH]c2CCCc12	PC-id_6537550	310.35	NTPJXXJYBVTNAU-BENRWUELSA-N	00000010100011000001000010000000000000000000000000000000	25-01-068652
O=C(NNC=C1C(=O)C(=CC=C1)CC=C)c1n[nH]c2CCCc12	PC-id_6740971	310.35	NTPJXXJYBVTNAU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-068653
C1C2N(C1=O)C(C(=Cn1cnc3c1NSC3)S2)C(=O)O	PC-id_88328427	310.352	ISSURNJKDCCXOV-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-068654
C1C(N2C(S1)C(=Cn1cnc3c1NSC3)C2=O)C(=O)O	PC-id_88330631	310.352	FYFTVZBQDNSUDY-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-068655
OC(=O)C1CS[C@H]2N1C(=O)C2=Cn1cnc2c1NSC2	SCHEMBL8604334,PC-id_67638402	310.352	FYFTVZBQDNSUDY-OMNKOJBGSA-N	00001010100000000001001010000000000000000000000000000000	25-01-068656
OC(=O)C1N2[C@H](SC1=Cn1cnc3c1NSC3)CC2=O	PC-id_67635504,SCHEMBL8594207	310.352	ISSURNJKDCCXOV-VEDVMXKPSA-N	00001010100000000001001010000000000000000000000000000000	25-01-068657
Cc1ccc(C#N)cc1NC(=O)N(C)Cc1nnc2n1CCC2	MCULE-3467499845,EMOLS-id_36286674,ZINC22_58453171,PC-id_53567795	310.354	GIOARAZLOZAYDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068658
Cn1ccnc1CN1Cc2[nH]nc(COc3cccnc3)c2C1	EMOLS-id_46189478,PC-id_97410203,ZINC22_96091057	310.354	AXNLWMJXJXGXJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068659
Cn1cncc1CN1Cc2c(C1)[nH]nc2COc1cccnc1	PC-id_97520305	310.354	JEUVAMAUHDLUJC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068660
CN(Cc1nc(c2ccncc2)no1)Cc1n[nH]c2c1CCC2	MCULE-2383855504,EMOLS-id_55611781,PC-id_91829789,ZINC22_244712756	310.354	KWNDWPJYHGLNCZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068661
CN(Cc1nnc(c2cccnc2)o1)Cc1n[nH]c2c1CCC2	EMOLS-id_55667187,ZINC22_252494487,PC-id_91837775,MCULE-3995217719	310.354	NXCVEWLRGWXFGJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068662
COc1cc(c2nccn2C[C@H]2Cc3nnc(C)n3C2)ccn1	ZINC22_1857696136	310.354	OLZKEXBRTJJSRH-GFCCVEGCSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068663
COc1cc(c2nccn2C[C@@H]2Cc3nnc(C)n3C2)ccn1	ZINC22_1857696137	310.354	OLZKEXBRTJJSRH-LBPRGKRZSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068664
COc1cccc(c1)n1nnc(c1)NCc1cnc2n1CCC2	EMOLS-id_320177420,MCULE-5765023827	310.354	WDZXMHSCPAHPFO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068665
COc1cc(ccn1)c1nccn1CC1Cc2nnc(C)n2C1	EMOLS-id_323956091,PC-id_145935290,MCULE-9363884735	310.354	OLZKEXBRTJJSRH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068666
COc1cccc(n2cc(NCc3cnn4c3CCC4)nn2)c1	ZINC22_685943601,EMOLS-id_316982867,MCULE-3226358140	310.354	ZRFSAPRHHJXIQH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068667
O=C(c1cnn(c1n1cccc1)C)NCc1cnc2n1CCC2	MCULE-7162542548,EMOLS-id_319989374	310.354	JYPQUIBMMZZOSJ-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-068668
Cc1ccn(c2ccc(N[C@@H](C)c3nnc4n3CCC4)nn2)n1	PC-id_97827194,ZINC22_97115243	310.357	FXJHANDFWXXFRR-NSHDSACASA-N	00000010100000100001100010000000000000000000000000000000	25-01-068669
Cc1ccn(c2ccc(N[C@H](C)c3nnc4n3CCC4)nn2)n1	ZINC22_97115244,PC-id_97827195	310.357	FXJHANDFWXXFRR-LLVKDONJSA-N	00000010100000100001100010000000000000000000000000000000	25-01-068670
Cc1ccn(n1)c1ccc(nn1)NC(c1nnc2n1CCC2)C	PC-id_75522212,MCULE-6603893273,EMOLS-id_49350775	310.357	FXJHANDFWXXFRR-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-068671
OC(c1c(F)cccc1F)CNCc1sc2c(n1)CCC2	PC-id_109948637	310.362	LXLRMKJBOMNFJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068672
s1c2CCCc2nc1C(NC)c1ccc(OC(F)F)cc1	PC-id_61330178	310.362	DJDDEZZTBXRKBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068673
s1c2CCCc2nc1C(NC)c1c(OC(F)F)cccc1	PC-id_61330173	310.362	DWVJZCJUQKWCOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068674
FC(c1ccnc(n1)CNc1sc2c(n1)C(CC2)(C)C)F	EMOLS-id_318521164,MCULE-6803804679	310.365	GJHDQYGMVJJKKX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068675
S1Cc2c(noc2NC(=O)CSc2ccc(F)cc2)C1	PC-id_49719101	310.367	MAXBTSWSRGVGRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068676
c1(NC(=O)C(=O)NC(C)C)sc2c(CCC2)c1C(=O)OC	STOCK6S-14865,EMOLS-id_4746916,ZINC22_6759137,CoCoCo_6534134,PC-id_8071181,MCULE-7431459166	310.369	ARBMVGATHYRMFU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068677
c1(sc2c(CCC2)c1C(=O)OC)NC(=O)N1CCOCC1	ZINC22_6719611,EMOLS-id_4740208,MCULE-4537614764,STOCK6S-10384,PC-id_8056934,CoCoCo_1092454	310.369	FMIXWKHYYKHBTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068678
CC(C)[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC(=O)N	PC-id_7238861,ZINC22_4462359	310.369	QJXDDEHCHBEUCZ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-068679
CC(C)[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC(=O)N	PC-id_7238862,ZINC22_4462360	310.369	QJXDDEHCHBEUCZ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068680
CCC(C(=O)O)NC(=O)c1c(NC(=O)C)sc2c1CCC2	PC-id_112455093	310.369	BFFFEPPRVAIHAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068681
CC(C)NC(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-7385078681,ZINC22_4581385,PC-id_3359515,EMOLS-id_43696706,CoCoCo_2840746	310.369	GKLNDEJCFRXBHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068682
CCOC(=O)c1c(NC(=O)CNC(=O)C)sc2CCCc12	EMOLS-id_327904302,MCULE-9280169940	310.369	MCOKOFDSVNHRJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068683
COC(=O)CCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_60001320,SCHEMBL8289510	310.369	QKBVHDPINIBSBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068684
NC(=O)NC(=O)C(C(C)C)OC(=O)c1sc2c(c1)CCC2	MCULE-2810670112,PC-id_45637941,EMOLS-id_31833179	310.369	QJXDDEHCHBEUCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068685
O=C(c1occ2c1CCC2)NC1CCCN(C1)c1ccccc1	EMOLS-id_318825744	310.39	ZOHDOIGOBZCGDI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-068751
O=C(CC(C(=O)O)(C)C)Nc1sc2c(c1C(=O)N)CCC2	PC-id_119133542	310.369	WSZWOIKECLBNOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068686
OC(=O)CCCNC(=O)c1c(NC(=O)C)sc2c1CCC2	PC-id_92943714	310.369	KSXILQYETXOISJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068687
s1c2CCCc2cc1C(=O)OC(C)C(=O)NC(=O)NCC	PC-id_3452065	310.369	MEQPIXOEUXWKDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068688
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NCCC	PC-id_4259355	310.369	SQIQOKFVOZHSTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068689
s1c2c(CCC2)c(c1NC(=O)C1C(N)COC1)C(=O)OC	PC-id_66235460	310.369	OXGZKXDZLPHLJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068690
s1c2c(CCC2)c(c1NC(=O)C1NCC(O)C1)C(=O)OC	PC-id_61252491	310.369	QUOOFUVWBOIOCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068691
s1c2c(CCC2)c(c1NC(=O)C1(N)CCOC1)C(=O)OC	PC-id_64892995	310.369	ZYUKLXHYFXPXRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068692
s1c2c(CCC2)c(c1NC(=O)C1NCCOC1)C(=O)OC	PC-id_65518865	310.369	TYIHWCGZHGGEBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068693
s1c2c(CCC2)c(c1NC(=O)C1OCCNC1)C(=O)OC	PC-id_61740865	310.369	AFHZGPHGGQWOQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068694
s1c2c(CCC2)c(c1NC(=O)C(C)C)C(=O)NC(=O)OC	PC-id_7521464	310.369	PRSXTVMUYWQORP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068695
s1c2c(CCC2)c(c1NC(=O)CCC)C(=O)NC(=O)OC	PC-id_7521477	310.369	DWRMXQLRNHYVRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068696
s1c2c(CCC2)c(c1NC(=O)CC)C(=O)NCCC(=O)O	PC-id_82033589	310.369	SILJOALFNLPCFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068697
s1c2c(CCC2)c(c1NC(=O)CC)C(=O)NC(=O)OCC	PC-id_7521540	310.369	SSQGWIPJBPIYNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068698
s1c2c(CCC2)c(c1NC(=O)C)C(=O)N(CCC(=O)O)C	PC-id_82033586	310.369	RPDFXQPGVFPCKL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068699
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC)C(=O)N	PC-id_3497593	310.369	YXBFNHARKUHYMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068700
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(C)C)C(=O)N	PC-id_7782383	310.369	VMOXLYHCQCUZED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068701
c1(NC(=O)C#Cc2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_2326127,ZINC22_6741424,MCULE-8944897723,TIMTEC245757,CoCoCo_1052758,PC-id_6469990	310.37	JPYVKXWXACSVKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068702
C(C(=O)Nc1sc2CCCc2c1C#N)C(=O)c1ccccc1	MCULE-6185826203,EMOLS-id_327799245	310.37	YOTPNPLJGCANMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068703
COC(=O)c1ccc(cc1)C=Nc1sc2c(c1C#N)CCC2	PC-id_40612953,MCULE-3116207477	310.37	IZMGRWLGTZIBRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068704
N#C/C(=Cc1cccc(c1)O)/C(=O)Nc1sc2c(c1)CCC2	PC-id_93812687	310.37	VNISGJUBYIGMBX-NTUHNPAUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068705
s1c2CCCc2c(c1/N=C/c1ccc(cc1)C(=O)OC)C#N	PC-id_17387879	310.37	IZMGRWLGTZIBRR-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068706
CC(C)(C)c1ncc(S(=O)(=O)N[C@@H]2Cc3nccn3C2)o1	ZINC22_2325804480	310.372	SBNQQNIARZCAJP-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068707
CC(C)(C)c1ncc(S(=O)(=O)N[C@H]2Cc3nccn3C2)o1	ZINC22_2325804481	310.372	SBNQQNIARZCAJP-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-068708
COC(=O)c1c(NC(=O)N2CCSCC2)nc2n1CCC2	EMOLS-id_319395511	310.372	BJJILZNUGMLHJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068709
COC(=O)c1c(NC(=O)NCC2CSC2)nc2n1CCC2	EMOLS-id_319209703	310.372	YSEMEHIPQYOEQG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068710
O=C1CC(CN1C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231150	310.372	WRYWIUJWAAAJES-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-068711
O=C1CN(CCN1C1CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97758823	310.372	CPLXWCVDQQQICN-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-068712
O=C1CN(S(=O)(=O)c2cnc3n2CCC3)CN1CC1CC1	ZINC22_333043972,MCULE-7151436698,EMOLS-id_100877526	310.372	PCHDSBBSKRJXOH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068713
O=S(=O)(c1cnc2n1CCC2)Nc1onc(c1)C(C)(C)C	EMOLS-id_97704917	310.372	WADNOSBTAOBJAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068714
s1c2CCCc2nc1NC(=O)N1CCN(CC1)CC(=O)O	PC-id_61510213	310.372	GXLSGSUQBDPVHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068715
c12CN(Cc1sc(N)n2)C(=O)c1ccc(cc1)n1cccc1	PC-id_82194145,MCULE-9233567074	310.374	LMSCNKFQWIBICY-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-068716
c1(NC(=O)C(=Cc2ccccc2)C#N)n(C)nc2CSCc12	EMOLS-id_334562746,MCULE-3368592584	310.374	YDFFWVCPQOKDGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068717
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2ccccc2)c1	MCULE-1652670976,EMOLS-id_323278276	310.374	DOPOHEZYORGFPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068718
N#Cc1c(NC(=O)c2cccc(c2)C2CC2)nc2n1CCS2	EMOLS-id_318474447	310.374	UDUPOSCRVJFPOA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068719
N#Cc1c(NC(=O)c2ccc(cc2)C2CC2)nc2n1CCS2	EMOLS-id_318579697	310.374	KIBXVSPROHJRPH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068720
N#Cc1c(NC(=O)c2ccnc(n2)C2CC2)sc2c1CCC2	EMOLS-id_318820110	310.374	BLEQLZZJJYZUIC-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-068721
O=C(c1sc2c(c1)CCC2)Nc1ccc(nc1)n1cccn1	MCULE-2189539955,EMOLS-id_257858133	310.374	ACOSADKCUCWSBB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068722
O=C(Nc1cccc(c2cnn[nH]2)c1)c1cc2c(s1)CCC2	ZINC22_583650521,MCULE-4500026966,EMOLS-id_177272931	310.374	YEPZFLACGBWZHJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068723
O=C(Nc1cccc(n2ccnn2)c1)c1cc2c(s1)CCC2	EMOLS-id_177279751,ZINC22_155887610,MCULE-5536651558	310.374	SVVYOZBEDOMIOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068724
O=C(Nc1ccc(n2ccnc2)nc1)c1cc2c(s1)CCC2	MCULE-4207209544,EMOLS-id_36265079,ZINC22_25009742,PC-id_32317636	310.374	FJUPDIROZUNIGK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068725
s1c2CNCc2nc1NC(=O)c1ccc(n2cccc2)cc1	PC-id_82194032	310.374	SRXRUAVASGMXDL-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-068726
c1(cc(nn1C)C)S(=O)(=O)NCC1Cc2n(c(nn2)C)C1	PC-id_137336148,MCULE-4124057443,EMOLS-id_317466273	310.375	AYERUHQQGHPSBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068727
Cc1cc(S(=O)(=O)NC[C@@H]2Cc3nnc(C)n3C2)n(C)n1	ZINC22_1772708395	310.375	AYERUHQQGHPSBI-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-068728
Cc1cc(S(=O)(=O)NC[C@H]2Cc3nnc(C)n3C2)n(C)n1	ZINC22_1772708402	310.375	AYERUHQQGHPSBI-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068729
CC(c1nnc2n1CCC2)NS(=O)(=O)c1c(C)cnn1C	EMOLS-id_98553669	310.375	DDQHBRPMLPAIHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068730
Cn1ncnc1CCCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_279071929	310.375	IEYZOQYMXWSKNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068731
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c([nH]nc1C)C	PC-id_60713827	310.375	PUNRRKAFUTUSOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068732
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1c([nH]nc1C)C	PC-id_61274654	310.375	RLCZNMZGKJXUBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068733
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1[nH]c(nc1)CC	PC-id_64149669	310.375	RRXYYKGEAJWZAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068734
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1[nH]c(nc1)CC	PC-id_64152699	310.375	NZASJRADROWXFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068735
Cc1sc2c(n1)CN(C2)S(=O)(=O)CC(C(F)F)(C)C	EMOLS-id_319302802	310.384	CAAVXMMSTCUYAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068736
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(c1)C1CC1	EMOLS-id_330969780,MCULE-3227406901	310.39	LIJVXWSYJWEAFF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068737
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccccc1C1CC1	EMOLS-id_330971829,MCULE-8855046880	310.39	MGLALATWRKYESG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068738
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)C1CC1	MCULE-2711098805,EMOLS-id_330971569	310.39	VGDFYRKXSLCOHZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068739
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(c2)C2CC2)n1	EMOLS-id_330990587,MCULE-8427464190	310.39	QWWNJRKBHDMHFJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068740
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2C2CC2)n1	EMOLS-id_330991354,MCULE-7354386055	310.39	KZNFPIVBDGCEHR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068741
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(c1)C1CC1	EMOLS-id_330976438,MCULE-7811241914	310.39	DUBSWTZMIAMWMQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068742
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1C1CC1	EMOLS-id_330977205,MCULE-2869000009	310.39	OGHUBZZPUIAGMD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068743
CC1CCc2c1c(C=O)nn2Cc1ccc(OCC2CC2)cc1	EMOLS-id_331004146,MCULE-2207104555	310.39	NMZXSKCDMQOSNI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068744
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(C=O)c12	MCULE-1410237588,EMOLS-id_330983869	310.39	SCRFNLQBRJGZNV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068745
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1C[C@H](O)CC1	EMOLS-id_328340115,MCULE-4426861748	310.39	AGRZVGWXSNKFOR-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068746
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCOCC1	EMOLS-id_328339353,MCULE-9762302251	310.39	WGVZHDRXNXEBES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068747
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CC(O)CC1	MCULE-7543877141,EMOLS-id_328339859	310.39	AGRZVGWXSNKFOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068748
O=C(c1occ2c1CCC2)N1CCCC(CC1)c1ccncc1	EMOLS-id_319699145	310.39	LYIIXWSXWZNFHN-UHFFFAOYSA-N	00000010100000101100100010000000000000000000000000000000	25-01-068749
O=C(c1occ2c1CCC2)N1CCC[C@H]1CCc1ccccn1	EMOLS-id_319231633	310.39	OFHKAGXRVGAVEB-INIZCTEOSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068750
c1(NC(=O)CS(=O)CC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_320647155,MCULE-3955694514	310.392	FMDZEWOELRWPRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068753
OCc1ccccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977971	310.392	ITKJVKWLTOFPMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068754
OCc1ccc(cc1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977983	310.392	MRSUWUPOWMKJCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068755
OCc1cccc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978035	310.392	QZCAUHWFGALDTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068756
O=C(N1Cc2c(C1COC(C)(C)C)[nH]nc2N)OC(C)(C)C	PC-id_117741080,SCHEMBL16295817	310.392	KYUYGNFTPYCUAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068757
O=C(NCCc1cccs1)c1[nH]cc2c1CCS2(=O)=O	ZINC22_2325776247	310.392	GMBVIDJNVIKGQG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-068758
s1c2c(CCC2)cc1CNS(=O)(=O)C1C=CC(=O)N=C1	PC-id_76895646	310.392	NVWORFANHCGWLK-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-068759
s1c2c(CCC2)cc1CNS(=O)(=O)c1c[nH]ccc1=O	PC-id_64276041	310.392	LVDHHJYSDVZHTE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068760
s1c2c(CCC2)cc1CNS(=O)(=O)c1c[nH]c(=O)cc1	PC-id_61208971	310.392	QDDTUBWGYITWMH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-068761
s1c2c(CCC2)cc1CNS(=O)(=O)C1C(=O)C=CN=C1	PC-id_77023540	310.392	SYKHFVMQVSBUDD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-068762
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)N	PC-id_4249592	310.392	GNHVOJOKJJKBBJ-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-068763
s1c2c(CCC2)c(c1NC(=O)N1CC[NH2+]CC1)C(=O)OC	PC-id_41024881	310.392	JEISZQYFPNRODC-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-068764
s1c2CCCc2nc1NS(=O)(=O)c1ccc(OC)cc1	PC-id_4080392	310.392	FDWZIIBHIMQZSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068765
S(=O)(=O)(c1ccc(cc1)OC)Nc1snc2CCCc12	PC-id_54774512,MCULE-9190870411	310.392	DPQLXDSZLWCVJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068766
c12CN(Cc1nn(CC1CC1)c2C(=O)NC)Cc1ccccc1	EMOLS-id_324350831,MCULE-3995738026	310.393	NKUYCUFOBHFTQH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068767
c12CN(Cc1nn(CC1CCC1)c2C=NO)Cc1ccccc1	MCULE-5431534082,EMOLS-id_324355694	310.393	YXIOHXDQIWILOE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-068768
c12CN(Cc1nn(CC)c2C(=O)NC1CC1)Cc1ccccc1	MCULE-9668051243,EMOLS-id_324356966	310.393	UFUPMHDROYYFHU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068769
C1Cc2c(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)n[nH]c2C1	PC-id_2041799,MCULE-9232596206	310.393	FOPYNUUOVLIUEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068770
c1(cn2c(CCC2)n1)C(=O)N1CCN(c2cccc(C)c2)CC1	MCULE-5238763378,EMOLS-id_321296854	310.393	PDGZOTGELHQYAC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068771
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)Cc1ccccc1	MCULE-1756977348,EMOLS-id_321297621	310.393	MKIGOPBGHBWFNY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068772
c1(CN(C)CC2CC(=NO2)c2ccccc2)c2CCCc2[nH]n1	PC-id_91833173,MCULE-5072909008,EMOLS-id_55635320	310.393	SOAWCNJKVLZVAF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-068773
c1(C(=O)N2CCN(CC2)c2ccccc2)c2CCCc2n(C)n1	EMOLS-id_179745139,MCULE-3874711998,PC-id_110389025	310.393	DWMMRCOTRQWLOW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068774
c1(C(=O)N2CCN(CC2)Cc2ccccc2)c2CCCc2[nH]n1	MCULE-8140253459,EMOLS-id_179744613,PC-id_110388845	310.393	XNNHZCFOXGOVEA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068775
c1(C(=O)Nc2ccc(cc2)N2CCCC2)c2CCCc2n(C)n1	EMOLS-id_179745421,PC-id_110389119,MCULE-7484203874	310.393	RNOBJPNVCJLUCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068776
c1(C(=O)Nc2ccc(cc2)N2CCCCC2)c2CCCc2[nH]n1	PC-id_110388935,MCULE-4209070384,EMOLS-id_179744873	310.393	DUFKBTSLUWATHT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068777
c1(C(=O)Nc2ccc(cc2)N2CCCCC2)cn2c(CCC2)n1	MCULE-3269568651,EMOLS-id_321296092	310.393	GZNIRCRDANQPIM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068778
c1(C(=O)NC2CCN(CC2)c2ccccc2)c2CCCc2[nH]n1	EMOLS-id_68895929,ZINC22_97041449,PC-id_118773011,MCULE-8606211260	310.393	HWWWLMANRAWJAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068779
Cc1ccc(C2CCN(C(=O)c3cnn4c3CCC4)CC2)cn1	ZINC22_333658874,MCULE-7718163848,EMOLS-id_101345721	310.393	GMQSFZJTNUWLCE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-068780
Cc1cccc(c1)C1(CCC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318704219	310.393	CSOUWSIGPNCOCG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-068781
Cc1ccc(cc1)C1(CCC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318758954	310.393	TXUACXCFOXQGCZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-068782
Cc1ccccc1C1NCCN(C1)C(=O)c1cnc2n1CCC2	EMOLS-id_319458991	310.393	MYEGGORCCQRHIH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068783
Cc1ccccc1C1NCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_319142395	310.393	ZRMODQQUFIIACK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068784
Cc1ccc(cc1C)C1=NOC(C1)CNC1CCn2c1ncc2	MCULE-9019337602,EMOLS-id_318745495	310.393	CGYMVFAFFHHTSI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-068785
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_96327763,ZINC22_76956932	310.393	BCBXONYBYNOBEJ-GJZGRUSLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068786
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_96327764,ZINC22_76956933	310.393	BCBXONYBYNOBEJ-CABCVRRESA-N	00100010100000110001100010000000000000000000000000000000	25-01-068787
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_96327765,ZINC22_76956934	310.393	BCBXONYBYNOBEJ-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068788
Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_96327766,ZINC22_76956935	310.393	BCBXONYBYNOBEJ-HUUCEWRRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068789
Cc1ccc(cc1)CN1Cc2c(C1)c(n[nH]2)C(=O)N1CCCC1	PC-id_97461974	310.393	ACLLCTFIZMKDQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068790
Cc1ccc(cc1)CN1CCC(C1=O)NC1CCn2c1ncc2	MCULE-1471633320,EMOLS-id_318198175	310.393	MPRFLUFDUABFLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068791
Cc1ccc(cc1N1CCCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318570822	310.393	LXRMXGNUYQNBPU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068792
Cc1ccc(cc1N1CCCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318711775	310.393	QRRITRAFQWMBJU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068793
Cc1ccc(cc1)N1CCC(C1=O)NC1CC(n2c1ncc2)C	EMOLS-id_318703954	310.393	IWYGCNPFDYPSKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068794
Cc1cc(ccc1N1CCCC1=O)NCc1cnc2n1CCC2	EMOLS-id_318488858,MCULE-4270178861	310.393	DMOZRAPBBVYVSH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068795
Cc1ccc(cc1)N1CCC(C1=O)NCc1cnc2n1CCC2	EMOLS-id_318580190,MCULE-4847138130	310.393	SYEQXZBKZUFXPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068796
Cc1ccc(cc1)N1CCCC(C1=O)NC1CCn2c1ncc2	EMOLS-id_318689480	310.393	QXRWVNMGQZCYMS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068797
Cc1ccccc1N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110747058	310.393	UPUZBVGMVDUQLC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068798
Cc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_110448266,MCULE-3644569204,PC-id_110388855	310.393	XXGWWGIMPZQTGJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068799
Cc1cc(C)cc(c1)C1(CC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318604035	310.393	WVIBLCSXJHGWJX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068800
CC1CC(C(=O)N1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318307689	310.393	DFLHMWASABIUEA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068801
CC1CC(C(=O)N1c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318307601,MCULE-8947918888	310.393	CZMRVGHOBMBGFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068802
CC1CN(C1c1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417091	310.393	GFQPDJVASDZJDG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-068803
CCC1(CN(C1)C(=O)NC1CCn2c1ncc2)c1ccccc1	EMOLS-id_316917876,MCULE-9871817284	310.393	ZUSISMFYOWUOFM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-068804
CC(=CC(=O)NCc1nnc2n1CCC2)CCc1ccccc1	EMOLS-id_36295527,PC-id_72149826,MCULE-5882271656	310.393	SRUVPONUBOSYOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068805
C/C(=C/C(=O)NCc1nnc2n1CCC2)/CCc1ccccc1	PC-id_97517338	310.393	SRUVPONUBOSYOI-OWBHPGMISA-N	00000010100000110001000010000000000000000000000000000000	25-01-068806
C/C(=CC(=O)NCc1nnc2n1CCC2)/CCc1ccccc1	ZINC22_69385033,PC-id_53558530	310.393	SRUVPONUBOSYOI-WYMLVPIESA-N	00000010100000110001000010000000000000000000000000000000	25-01-068807
CC(C)n1nc(Cn2cccc2)c2c1CN(Cc1ccco1)C2	ZINC22_96084543,EMOLS-id_46182093,PC-id_97405369	310.393	IGUJWOPQHHSYGQ-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-068808
CC(C)n1nc(Cn2cccc2)c2c1CN(Cc1ccoc1)C2	CHEMBL3553211,ZINC22_96259153,PC-id_97519241	310.393	IMKQFSOQJINUGM-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-068809
C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnn2c1NCC2	ZINC22_1875277264	310.393	OMSQVENVSZWYMZ-DZGCQCFKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068810
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnn2c1NCC2	ZINC22_1875277265	310.393	OMSQVENVSZWYMZ-HIFRSBDPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068811
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnn2c1NCC2	ZINC22_1875277266	310.393	OMSQVENVSZWYMZ-UKRRQHHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068812
C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnn2c1NCC2	ZINC22_1875277267	310.393	OMSQVENVSZWYMZ-ZFWWWQNUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068813
Cn1ncc2c1CN(C(=O)[C@H](c1ccccc1)N1CCCC1)C2	ZINC22_2325758036	310.393	ZCXQYYQAPCNUEH-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068814
Cn1ncc2c1CN(C(=O)[C@@H](c1ccccc1)N1CCCC1)C2	ZINC22_2325758037	310.393	ZCXQYYQAPCNUEH-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068815
CN(c1ccccc1)C1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318467434	310.393	JBHGRURGILFTHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068816
CN(Cc1n[nH]c2c1CCC2)C[C@@H]1CC(=NO1)c1ccccc1	ZINC22_244816770	310.393	SOAWCNJKVLZVAF-AWEZNQCLSA-N	00000011100000110001100010000000000000000000000000000000	25-01-068817
CN(Cc1n[nH]c2c1CCC2)C[C@H]1CC(=NO1)c1ccccc1	ZINC22_244816771	310.393	SOAWCNJKVLZVAF-CQSZACIVSA-N	00000011100000110001100010000000000000000000000000000000	25-01-068818
CN(C(=O)C1(CCC1)c1ccccc1)Cc1nnc2n1CCC2	EMOLS-id_318278824	310.393	FXPPRJGUWAKQBY-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-068819
n1c(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)c2c(CCC2)[nH]1	MCULE-1161664311,EMOLS-id_330411744,ZINC22_1857712175	310.393	MJBZOCCFFNUXIJ-GDBMZVCRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068820
NC[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)c1n[nH]c2c1CCC2	PC-id_120745213	310.393	DRQDXLJKSNCYNA-HIFRSBDPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068821
O=C1C(CCCN1c1ccccc1C)NC1CCn2c1ncc2	EMOLS-id_318452491	310.393	QZSIRTXUQYGFCD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068822
O=C1CCCCN1c1cccc(c1)NC1CC(n2c1ncc2)C	EMOLS-id_318291720,MCULE-8504213538	310.393	OHDNVVZBYFRKAI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068823
O=C1CCCCN1c1cccc(c1)NCc1cnc2n1CCC2	MCULE-2223715805,EMOLS-id_318387202	310.393	PVPLHTVURJSHLB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068824
O=C1C(CCCN1Cc1ccccc1)NC1CCn2c1ncc2	EMOLS-id_318636425,MCULE-4735688570	310.393	HOANCPILCBFVNK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068825
O=C1CCCN1c1cccc(c1)CNC1CC(n2c1ncc2)C	EMOLS-id_318089017	310.393	SCUUBBKPUPGXRP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068826
O=C1CCCN1c1cccc(c1)C(NC1CCn2c1ncc2)C	EMOLS-id_318158930	310.393	IPODVIXLMIDSFW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068827
O=C1CCCN1c1ccc(cc1)CNC1CC(n2c1ncc2)C	EMOLS-id_318493284	310.393	NMVRATQFPGSIIM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068828
O=C1CCCN1c1ccc(cc1)C(NC1CCn2c1ncc2)C	EMOLS-id_318677492	310.393	JUCJEWNZPPGPTL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068829
O=C1CCCN1c1ccc(cc1C)NC1CC(n2c1ncc2)C	EMOLS-id_318688794	310.393	KTYKKQQUWPFFRE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068830
O=C1CCCN1c1cccc(c1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318106681,MCULE-2930362544	310.393	OFVAAORQCHCFDQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068831
O=C1CC(CN1c1ccccc1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318372163,MCULE-1459165632	310.393	OSVYMPQVUHKVOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068832
O=C1CC(CN1Cc1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318651758,MCULE-8590971095	310.393	UREKJAVBQQFBKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068833
O=C1C(CCN1Cc1ccccc1)NC1CC(n2c1ncc2)C	MCULE-5995613956,EMOLS-id_318364728	310.393	IRLQWDMEXVQAGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068834
O=C1C(CCN1Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318203662	310.393	ZOIBTVODUKIURE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068835
O=C1NCCN(C1c1ccccc1C)Cc1cnc2n1CCC2	EMOLS-id_318668377	310.393	GRENIKTVWHABAP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068836
O=C(C1CC1c1ccccc1C)N(Cc1nnc2n1CCC2)C	MCULE-5220973612,EMOLS-id_48239254,PC-id_75373027	310.393	BCBXONYBYNOBEJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-068837
O=C(c1cc2n(n1)CCC2)Nc1ccccc1N1CCCCC1	EMOLS-id_318522229	310.393	QPBHEIQQXONSCA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068838
O=C(c1cc2n(n1)CCC2)Nc1cccc(c1)N1CCCCC1	EMOLS-id_318726592	310.393	YPOHZXGNYIOKMH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068839
O=C(C1(CCC1)c1ccccc1C)NCc1nnc2n1CCC2	EMOLS-id_318719795	310.393	MHDWZIHKADQBIM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-068840
O=C(C1(CCC1)c1ccccc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318191880	310.393	ALQXAJYMDZCAKG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-068841
O=C(C1(CCCC1)c1cccnc1)NC1CC(n2c1ncc2)C	EMOLS-id_318504396	310.393	HELLRNMMOYXUEC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-068842
O=C(C1CCCC1)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2919717,PC-id_68441040	310.393	ZPKDMCSXGKLGBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068843
O=C(c1cccc(c1C)NC1CCn2c1ncc2)N1CCCC1	EMOLS-id_318241792	310.393	WLVAHZSYKCBYTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068844
O=C(c1cccc(c1)N1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318419437	310.393	VLSXHPPRVMCYSE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068845
O=C(c1cccc(c1)N1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_318527704	310.393	ABZAZEUYAHNODY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068846
O=C(c1cccc(c1)N1CCCC1)NCc1cnc2n1CCC2	MCULE-4320867379,EMOLS-id_320313889	310.393	VUWDFSWUZUIRIM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068847
O=C(c1ccccc1)N1CCCC(C1)NC1CCn2c1ncc2	EMOLS-id_318549788	310.393	DXEFBHGZRIMLLQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068848
O=C(c1ccc(c(c1)NC1CCn2c1ncc2)C)NCC1CC1	EMOLS-id_318013447	310.393	ZGKYTUSGVZYUDA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-068849
O=C(c1cccc(c1)NC1CCn2c1ncc2)N1CCCCC1	EMOLS-id_318264439	310.393	JGNHVPZKHFBRGO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068850
O=C(c1ccc(cc1)NCc1cnc2n1CCC2)N1CCCC1	EMOLS-id_318389252,MCULE-9272019038	310.393	HHGCDAYVYCNIIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068851
O=C(c1ccc(CN2CCCCC2)cc1)N1CCn2ccnc12	MCULE-5497458074,ZINC22_585122461,EMOLS-id_177338236	310.393	JZDBMZMOQCVLNR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068852
O=C(C1CCCN1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318626844	310.393	QWIPGOXDFMQQCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068853
O=C(C1CCCN1c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_320165694,MCULE-3187149072	310.393	FWMBRSDMHVZODJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068854
O=C(C1CCN(C1)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318504264	310.393	VAHIXKQYWKKJOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068855
O=C(C1CCN(C1)c1ccccc1)Nc1n(C)nc2c1CCC2	EMOLS-id_318682739	310.393	NBXONWSMSXUGRF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068856
O=C(C1CCN(C1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318769512	310.393	BMHBQGWEAZRIKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068857
O=C(c1cnc2n1CCC2)N1CCCC(C1)Nc1ccccc1	EMOLS-id_318309740	310.393	JJZLUKKEFQQIGM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068858
O=C(c1cnc2n1CCC2)N1CCC(CC1)Nc1ccccc1	EMOLS-id_318715722	310.393	LKPHISQYXRESKP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068859
O=C(c1cnc2n1CCC2)N1CCC[C@@H]1CCc1ccccn1	EMOLS-id_319278285	310.393	FPAKFRBYNBDKAA-OAHLLOKOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068860
O=C(c1cnc2n1CCC2)Nc1cccc(c1)N1CCCCC1	EMOLS-id_318520254	310.393	BYPMYUYAAYHQCJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068861
O=C(c1cnc2n1CCC2)Nc1ccccc1N1CCCCC1	EMOLS-id_318774275	310.393	BJCHPIVXTWMIRU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068862
O=C(c1cnc2n1CCC2)NC1CCCN(C1)c1ccccc1	EMOLS-id_318464816	310.393	JJAPHFWHUNJIFM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068863
O=C(c1cnn2c1CCC2)N1CCCC(C1)Nc1ccccc1	EMOLS-id_318335024	310.393	SMOLGZWWPZDIPE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068864
O=C(c1cnn2c1CCC2)N1CCC(CC1)Nc1ccccc1	EMOLS-id_318625476	310.393	DUFWBXOHPDNQCU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068865
O=C(c1cnn2c1CCC2)N1CCCC(CC1)c1ccncc1	MCULE-7100473549,EMOLS-id_319882323	310.393	KENXJYQXCVAPCO-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-068866
O=C(c1cnn2c1CCC2)N1CCC[C@@H]1CCc1ccccn1	EMOLS-id_319270109	310.393	YYFCMYSRHRBPOA-OAHLLOKOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068867
O=C(c1cnn2c1CCC2)Nc1ccccc1N1CCCCC1	EMOLS-id_318537752	310.393	JLEJZHDEJBJNGK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068868
O=C(c1cnn2c1CCC2)Nc1cccc(c1)N1CCCCC1	EMOLS-id_318651875	310.393	QBQMIJHTCSDZNY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068869
O=C(c1cnn2c1CCC2)NC1CCCN(C1)c1ccccc1	EMOLS-id_318704051	310.393	NBLHXXVNGXDBQF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068870
O=C(c1cnn2c1CCC2)NCC1CCN1Cc1ccccc1	EMOLS-id_318189988	310.393	WLMCVAGSWIROIA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-068871
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)(C)c1ccccc1	EMOLS-id_318871174	310.393	JORHYPRZSHMAEL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068872
O=C(C1NCc2c1c[nH]n2)N1CCCC(C1)(C)c1ccccc1	EMOLS-id_319582330	310.393	BCPPGACZLJUYCL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068873
O=C(C1NCc2c1c[nH]n2)N1CCCC(CC1)c1ccccc1	EMOLS-id_319262755	310.393	AOJVRQIRFJEWPM-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-068874
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)Nc1ccccc1	EMOLS-id_318229816	310.393	YKMWRQNJLNEGAD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068875
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)Nc1ccccc1	EMOLS-id_318450239	310.393	NGZQYFRCQKFRLG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068876
O=C(c1nn2c(c1)CCC2)Nc1ccc(c(c1)N1CCCC1)C	EMOLS-id_318649160	310.393	UGSYHRDYZVHPAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068877
O=C(c1nn2c(c1)CCC2)NC1CCCN(C1)c1ccccc1	EMOLS-id_318630209	310.393	BQNBIDGEXSGZCK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-068878
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)Cc1cccnc1	EMOLS-id_318461550	310.393	ONVBFYSKRXBFNC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-068879
O=C(c1n[nH]c2c1CCC2)N1CCCCCC1c1ccncc1	EMOLS-id_50309617,PC-id_102554294,MCULE-5260478027	310.393	JYLJQGIKAYXGQH-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-068880
O=C(c1n[nH]c2c1CCC2)N1CCCCC[C@H]1c1ccncc1	PC-id_99628546,ZINC22_130462510	310.393	JYLJQGIKAYXGQH-INIZCTEOSA-N	00000010100000101101100010000000000000000000000000000000	25-01-068881
O=C(c1n[nH]c2c1CCC2)N1CCCCC[C@@H]1c1ccncc1	ZINC22_130462737,PC-id_99628549	310.393	JYLJQGIKAYXGQH-MRXNPFEDSA-N	00000010100000101101100010000000000000000000000000000000	25-01-068882
O=C(c1n[nH]c2c1CCC2)N/N=C/c1ccc(cc1)C(C)(C)C	SPECS-id_AT-225/NB41644,PC-id_6890881	310.393	FOPYNUUOVLIUEF-YBFXNURJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068883
O=C(N1CC(C1)Cc1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318341441	310.393	IHQUSNLWLNGUMN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-068884
O=C(N1CCC(C1)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101414164	310.393	GGWRCSVRLIFMEA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068885
O=C(N1CCCC1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101436582	310.393	RSJLWASVVZAJBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068886
O=C(N1CCC[C@@H]1CCc1ccccn1)c1cn2c(n1)CCC2	MCULE-2408259337,EMOLS-id_320266351	310.393	QKRQJSUGPWZTGQ-OAHLLOKOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068887
O=C(N1CCn2c1ccn2)c1ccccc1NC1CCCCC1	EMOLS-id_318278323	310.393	KRMDDYKCXOBGHL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-068888
O=C(NCc1nnc2n1CCC2)C1(c2ccccc2)CCCC1	MCULE-2113111155,ZINC22_40489881,CoCoCo_4651288,EMOLS-id_31878286,PC-id_45806085	310.393	VZSLKOMSDNQLTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-068889
CNc1cccnc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_103305509	310.395	RYIJHUSTUTTXBM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068890
CSc1ccc(nc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705247	310.395	AMWPKNQYLJUZHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068891
Nc1nc(ncc1S(=O)(=O)C)NC1CCc2c1scc2	SCHEMBL18423528	310.395	JUODJLUBGKPRNY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-068892
NCc1ccc(nc1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053388	310.395	OGXBYPAWGSDAFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068893
s1c2CCCc2nc1NS(=O)(=O)c1ccc(nc1)NC	PC-id_62152036	310.395	YLSAVPCDWSRADD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068894
s1c2CCCc2nc1NS(=O)(=O)c1ccc(NN)cc1	PC-id_61512052	310.395	JGUVMYLQOSIIOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068895
s1c2CCCc2nc1NS(=O)(=O)c1cc(ncc1)NC	PC-id_62152568	310.395	HHIVELUTVIKFTO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068896
s1c2CCCc2nc1NS(=O)(=O)c1c(NC)ccnc1	PC-id_64278124	310.395	PNTPJBOOXJQKLE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068897
s1c2CCCc2nc1NS(=O)(=O)c1c(NC)nccc1	PC-id_62152212	310.395	WQFGKNBRSAQMHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068898
s1c2CCCc2nc1NS(=O)(=O)c1c(NN)cccc1	PC-id_61512053	310.395	MUCSMSIYQPFRJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-068899
CCN(c1ccc(c(c1)C)N=C1C(=Nn2c1nc(n2)C)C)CC	PC-id_102010490	310.397	YEJCBAAJNLKUDF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068900
n12nc(nc1C(=C(C2=NNc1c(cc(N(C)C)cc1)C)C)C)C	PC-id_54118516	310.397	SJXWXRJGJGNBBR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068901
N(c1c(c(c(/N=C/2c3n(N=C2C)ncn3)c(c1C)C)C)C)(C)C	PC-id_72362484	310.397	DBZAFMILWIPECG-HKWRFOASSA-N	00000011100000110001000010000000000000000000000000000000	25-01-068902
N#Cc1ccc(nc1NC(c1nnc2n1CCC2)C)C(C)(C)C	EMOLS-id_318622522,MCULE-3417875355	310.397	LRWSMHPEADFCSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-068903
s1c2CN(Cc2nc1N)C(C)C(=O)Nc1sc(nn1)C	PC-id_82194260	310.398	YSRZTHJFNPWGOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068904
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385179,MCULE-8150625189	310.412	WODFTPDIZVEJFE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068905
c1(NC(=O)CN(CC)CC)sc2c(CCC2)c1C(=O)OC	PC-id_25021003,EMOLS-id_24631181,SPECS-id_AO-476/43415529,ZINC22_19797042,MCULE-5821692183,CoCoCo_6964487	310.412	XTMWTCUUVBOVHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068906
c1(NC(=O)CNC(C)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_677566,PC-id_3509557,ZINC22_4600204,EMOLS-id_2366584,MCULE-2187900541	310.412	WDMMCLYDTTXRQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068907
CCCC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)N	PC-id_107145112	310.412	PALXPFIIYZHKOI-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-068908
CCC[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)N	PC-id_107569346	310.412	AMWWMKFXIAZZJP-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-068909
CCC[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)N	PC-id_107569347	310.412	AMWWMKFXIAZZJP-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068910
CCCC(N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327973487,PC-id_61258952,MCULE-3362758173	310.412	AMWWMKFXIAZZJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068911
CC(C)(C)OC(=O)NCCNC(=O)c1cc2c(s1)CCC2	PC-id_71884096,EMOLS-id_44555053,MCULE-1032331902,ZINC22_84240690	310.412	SEAHTFXOFRJOHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068912
CC(C)NC(=O)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956528	310.412	YAAGMCMPNKWNED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068913
CCOC1CC(C1(C)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105856745	310.412	JXMFZQKZBFSMGN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068914
CCOC1CC(C1)Nc1nc2c(s1)CCC2C(=O)OCC	PC-id_105856752	310.412	GQVPVZKUTWDQCT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068915
CCOC(=O)C1CCc2c1nc(s2)NC1CCCC1OC	PC-id_104288568	310.412	CUAUYQVAALCLLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068916
CCOC(=O)C1CCc2c1nc(s2)NC1CCC(C1)OC	PC-id_105835266	310.412	NDCOWHVDCJZCEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068917
CCOC(=O)C1CCc2c1nc(s2)NC1(C)CCCOC1	PC-id_105805064	310.412	RLJIGMKEYXYAHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068918
CCOC(=O)C1CCc2c1nc(s2)NC1(C)CCOC1C	PC-id_105669547	310.412	JRQHXBXEXJEMIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068919
CCOC(=O)C1CCc2c1nc(s2)NC1(C)CCOCC1	PC-id_116233866	310.412	VWXJVFPTOJVLKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068920
CCOC(=O)C1CCc2c1nc(s2)N(C1CCOC1C)C	PC-id_104289186	310.412	KBMGDNMVUWMYIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068921
CCOC(=O)C1CCc2c1nc(s2)N(C1CCOCC1)C	PC-id_104288003	310.412	KTPHYAUOLQHCLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068922
CCOC(=O)C1CCc2c1nc(s2)NC1CCOC(C1)C	PC-id_105769372	310.412	CZOSGPKMICBMFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068923
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCCO1	PC-id_104288098	310.412	YUUCMJUUPILKCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068924
CCOC(=O)C1CCc2c1nc(s2)NCC1(C)CCCO1	PC-id_104289105	310.412	SLNQKWHQUUPGDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068925
CCOC(=O)C1CCc2c1nc(s2)NC(C1CCCO1)C	PC-id_104287894	310.412	ZKOQBOSEAQDDDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068926
CCOC(=O)C1CCc2c1nc(s2)N(CC1CCCO1)C	PC-id_104288230	310.412	RGNPJZTVTJTLRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068927
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCOC1	PC-id_104288285	310.412	OHZOLPMIDIOLJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068928
CCOC(=O)C1CCc2c1nc(s2)NCC1CCOC1C	PC-id_105746782	310.412	TYTOKIXIDRPFAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068929
CCOC(=O)C1CCc2c1nc(s2)NCC1CCOCC1	PC-id_104288731	310.412	ROJYHGDIYOBTSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068930
CCOC(=O)C1CCc2c1nc(s2)NC(C1COCC1)C	PC-id_116436033	310.412	ILQFQFQUMVIZQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068931
CCOC(=O)C1CCc2c1nc(s2)NCC1(OC)CCC1	PC-id_105856792	310.412	NMQYHVYMRGHHQV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-068932
CCOC(=O)C1CCc2c1nc(s2)NCCC1CCCO1	PC-id_104288376	310.412	XHVJIUAZMWUVSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068933
CCOC(=O)C1CCc2c1nc(s2)NCCC1COCC1	PC-id_105944823	310.412	RZHOFURAFVDLQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068934
CCOC(=O)C1CCc2c1nc(s2)NCCOCC1CC1	PC-id_105685775	310.412	ATZRTCOMJFDVTP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068935
CCOC(=O)c1c(NC(=O)CCCCN)sc2CCCc12	MCULE-6765668952,PC-id_64045357,EMOLS-id_328010965	310.412	IKFHXZPWXJMOBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068936
CCOC(=O)c1c(NC(=O)C(C(N)C)C)sc2c1CCC2	PC-id_104474466	310.412	YWNUDRTWISUORU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068937
CCOC(=O)c1c(NC(=O)C(C)(N)CC)sc2CCCc12	EMOLS-id_328112136,PC-id_79792461,MCULE-5465451127	310.412	UIVRDZNQMCGTIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068938
CCOC(=O)c1c(NC(=O)[C@@H](N)C(C)C)sc2CCCc12	PC-id_61259312,EMOLS-id_327908121,MCULE-9806803637	310.412	MLKGLYJPSVOPHO-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068939
CCOC(=O)c1c(NC(=O)C(N)C(C)C)sc2CCCc12	EMOLS-id_327819945,PC-id_61258950,MCULE-1473973061	310.412	MLKGLYJPSVOPHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068940
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(CN)(C)C	PC-id_115426630	310.412	URUCWDGSKUGRNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068941
CCOC(=O)C(C(C)(C)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_116537896	310.412	SFRXGEVTRRMNHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-068942
COc1c(sc2c1CCC2)C(=O)NCCN1CCOCC1	PC-id_91956542	310.412	YGXNGXJKQLKSJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068943
COCCN(c1nc2c(s1)CCC2C(=O)OCC)C1CC1	PC-id_104288255	310.412	RSVROHGAOXTWKD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068944
COCCN(C(C1CC1)C)c1nc2c(s1)CCC2C(=O)O	PC-id_104288347	310.412	VITODGPHDSBWIX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-068945
COC(=O)C1(CCOCC1)CNCc1nc2c(s1)CCC2	MCULE-4955175821,PC-id_86788961,EMOLS-id_49933350	310.412	XMOSHEZRFYPWMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068946
COC(=O)c1c(NC(=O)[C@@H](C(C)(C)C)N)sc2c1CCC2	PC-id_103929694	310.412	QMHNJFBQZCVEQS-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-068947
COC(=O)c1c(NC(=O)[C@@H](CC(C)C)N)sc2c1CCC2	PC-id_104903300	310.412	NXUIPUUQLBKEGD-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068948
COC(=O)c1c(NC(=O)CNC(C)(C)C)sc2c1CCC2	ZINC22_9365391,CoCoCo_3566920,EMOLS-id_11900570,PC-id_17400042,MCULE-2436732401	310.412	XXZFEUHEPTXRFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068949
COC(=O)CN(Cc1nc2c(s1)CCC2)C1CCOCC1	MCULE-4304342067,PC-id_75497430,ZINC22_97033981,EMOLS-id_49298909	310.412	ZFNNMTXUSPSZOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068950
NCCCC(C(=O)Nc1sc2c(c1C(=O)OC)CCC2)C	PC-id_104684841	310.412	HTZIIIMNXWVFAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068951
OCC1(COCCN1C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318771599	310.412	OIGVNFWKJNLURQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068952
OC(CN1CCOCC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_110880598	310.412	LNCCRLKOKYATOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068953
OCC(NC(=O)C1COc2ncsc12)C1CCCCCC1	SCHEMBL15903617,PC-id_90303479,BindingDB_PC-id_90303479,BindingDB-id_412958	310.412	RBTWDGAOSDKVFX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-068954
OC(=O)C1CCc2c1nc(s2)NCCOC1CCCCC1	PC-id_104288798	310.412	KVHRNVIRIHLNBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068955
s1c2c(CCC2)c(c1NC(=O)CCCCCN)C(=O)OC	PC-id_61252300	310.412	CNERSMHULYLSED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068956
s1c2c(CCC2)c(c1NC(=O)C(C(C)C)CN)C(=O)OC	PC-id_65229392	310.412	GTFBDMKXKUEKKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068957
s1c2c(CCC2)c(c1NC(=O)C(CCC)CN)C(=O)OC	PC-id_65229393	310.412	NOSJQGBXGSGGBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068958
s1c2c(CCC2)c(c1NC(=O)CC(CC)CN)C(=O)OC	PC-id_81084361	310.412	HLDRUELMFWHZBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068959
s1c2c(CCC2)c(c1NC(=O)C(CC)(CN)C)C(=O)OC	PC-id_81942676	310.412	RCTUOVFQLRUQGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068960
s1c2c(CCC2)c(c1NC(=O)CCC(CN)C)C(=O)OC	PC-id_82014237	310.412	JEZIEOBVOUHTEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068961
s1c2c(CCC2)c(c1NC(=O)CCCC(N)C)C(=O)OC	PC-id_82850653	310.412	BQIUAUZKZIDIAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068962
s1c2c(CCC2)c(c1NC(=O)C(CC)CN)C(=O)OCC	PC-id_65229234	310.412	HLDAXYNHSIPDLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068963
s1c2c(CCC2)c(c1NC(=O)CCC(N)(C)C)C(=O)OC	PC-id_64008518	310.412	VAIXIGNYIXCKKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068964
s1c2c(CCC2)c(c1NC(=O)CCCNC)C(=O)OCC	PC-id_61259132	310.412	YEWBVBKBTJAZJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068965
s1c2c(CCC2)c(c1NC(=O)CCC(N)C)C(=O)OCC	PC-id_64090677	310.412	BEHNDDWTMZJYTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068966
s1c2c(CCC2)c(c1NC(=O)C(CCN)C)C(=O)OCC	PC-id_80541987	310.412	BVTZJZPJLLDQNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068967
s1c2c(CCC2)c(c1NC(=O)CC(CN)C)C(=O)OCC	PC-id_81084186	310.412	ZIIHHHOITUWUTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068968
s1c2c(CCC2)c(c1NC(=O)CCNC(C)C)C(=O)OC	PC-id_61253076	310.412	VOBIUDBWQGLICE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068969
s1c2c(CCC2)c(c1NC(=O)CC(NCC)C)C(=O)OC	PC-id_62837478	310.412	SUNVNPCJSJCAME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068970
s1c2c(CCC2)c(c1NC(=O)C(CNCC)C)C(=O)OC	PC-id_62838395	310.412	BMFKTMBXPDFGHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068971
s1c2c(CCC2)c(c1NC(=O)CC(N)CCC)C(=O)OC	PC-id_81973965	310.412	OCHSNCRIJBOWAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068972
s1c2c(CCC2)c(c1NC(=O)CC(N)C(C)C)C(=O)OC	PC-id_81985786	310.412	VBRLFOAWSJGOEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068973
s1c2c(CCC2)c(c1NC(=O)CCNCC)C(=O)OCC	PC-id_62835942	310.412	NDTBCTKQMSFYFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068974
s1c2c(CCC2)c(c1NC(=O)CC(N)(C)C)C(=O)OCC	PC-id_64676996	310.412	HELKFYJICZCQEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068975
s1c2c(CCC2)c(c1NC(=O)C(CNC)C)C(=O)OCC	PC-id_79203974	310.412	WAPKKONDXNEGGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068976
s1c2c(CCC2)c(c1NC(=O)CC(N)CC)C(=O)OCC	PC-id_81972378	310.412	WUIOHLHZTWXTJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068977
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)CC(C)C)C(=O)OC	PC-id_61253665	310.412	NXUIPUUQLBKEGD-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-068978
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)C(C)(C)C)C(=O)OC	PC-id_61253861	310.412	QMHNJFBQZCVEQS-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068979
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)C(CC)C)C(=O)OC	PC-id_61253862	310.412	DUSJSOHXMZELNL-MYIOLCAUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068980
s1c2c(CCC2)c(c1NC(=O)[C@H](N)C(C)C)C(=O)OCC	PC-id_79011930	310.412	MLKGLYJPSVOPHO-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068981
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)[C@H](CC)C)C(=O)OC	PC-id_61253860	310.412	DUSJSOHXMZELNL-UFBFGSQYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068982
s1c2c(CCC2)c(c1NC(=O)CN(CCCC)C)C(=O)O	PC-id_28866176	310.412	FZTWEXNBUVRNLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068983
s1c2c(CCC2)c(c1NC(=O)CNC(CC)C)C(=O)OC	PC-id_60646976	310.412	BXJAOWYTSNZRRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068984
s1c2c(CCC2)c(c1NC(=O)C(N)CC(C)C)C(=O)OC	PC-id_61252301	310.412	NXUIPUUQLBKEGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068985
s1c2c(CCC2)c(c1NC(=O)C(N)C(CC)C)C(=O)OC	PC-id_61252490	310.412	DUSJSOHXMZELNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068986
s1c2c(CCC2)c(c1NC(=O)C(N)CCCC)C(=O)OC	PC-id_61253271	310.412	PALXPFIIYZHKOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068987
s1c2c(CCC2)c(c1NC(=O)C(N)(CCC)C)C(=O)OC	PC-id_61253272	310.412	FWNXOGIGSVIFIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068988
s1c2c(CCC2)c(c1NC(=O)C(NCC)(C)C)C(=O)OC	PC-id_62834992	310.412	LJMYCVYXBGWMMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068989
s1c2c(CCC2)c(c1NC(=O)C(N)C(C)(C)C)C(=O)OC	PC-id_76896624	310.412	QMHNJFBQZCVEQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068990
s1c2c(CCC2)c(c1NC(=O)C(N)(CC)CC)C(=O)OC	PC-id_79815237	310.412	SYRQIZMJPNKCIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068991
s1c2c(CCC2)c(c1NC(=O)C(NCC)C)C(=O)OCC	PC-id_10018290	310.412	OADMNYZYDCGGIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068992
s1c2c(CCC2)c(c1NC(=O)CNCCC)C(=O)OCC	PC-id_10380706	310.412	LQNHUVWURDTGCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068993
s1c2c(CCC2)c(c1NC(=O)C(NC)(C)C)C(=O)OCC	PC-id_62847659	310.412	AGRUVXHPMPIBGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-068994
s1c2C(OC(c2c(c1N)C(=O)N1CCOCC1)(C)C)(C)C	PC-id_79908063	310.412	WDEFIMMAJKKTEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-068995
c1(C)c(C(=O)Nc2sc3CCCc3c2C#N)c(C)cc(c1)C	EMOLS-id_327874538,MCULE-5967990856	310.413	BLMFRSQMDIUIFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068996
c1(NC(=O)c2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_322627908,PC-id_924846,MCULE-8087391716	310.413	QYNPEYUSKSEGQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068997
c1(NC(=O)Cc2ccc(cc2C)C)sc2c(CCC2)c1C#N	PC-id_7596894,EMOLS-id_322821414,MCULE-5563259351	310.413	NFNLMLDGGQLWLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068998
c1(NC(=O)Cc2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_322821670,MCULE-5730538427,PC-id_41619581	310.413	DHEDRZQMCGKOGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-068999
c1(NC(=O)CCCc2ccccc2)sc2c(CCC2)c1C#N	CoCoCo_1072902,MCULE-2631390304,ZINC22_13327538,PC-id_17173277,EMOLS-id_13331306,TIMTEC133221	310.413	DUJKOXYTONKTGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069000
c1(NC(=O)C(CC)c2ccccc2)sc2c(CCC2)c1C#N	TIMTEC571253,MCULE-3000643533,PC-id_2970598,ChEMBL-DNDi_CHEMBL7945086,EMOLS-id_2041596	310.413	YIWDMACTQXHXNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069001
Cc1ccccc1CCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322819879,MCULE-6955640466	310.413	NNZWXHDNELISNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069002
Cc1ccc(CCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-7516774936,EMOLS-id_322820135	310.413	BCJITBPSEVMNFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069003
CCc1ccc(CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	PC-id_41618586,EMOLS-id_322820902,MCULE-3134549294	310.413	YWADLSNBCNQNAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069004
C(C)(C)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328225936,MCULE-4423926888	310.413	AGCHKBKSUCSEND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069005
CCCC1C(N)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9653939,PC-id_21735843	310.413	XJQOIWQSDBQGAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069006
CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1	CoCoCo_541012,PC-id_1245410,ZINC22_1053822	310.413	YIWDMACTQXHXNS-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069007
CC[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1	ZINC22_1053821,CoCoCo_541013,PC-id_1245409	310.413	YIWDMACTQXHXNS-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069008
CN(C1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	PC-id_9928226,SCHEMBL9711265	310.413	SMHJOBGMBSPUQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069009
s1c2CCCc2cc1C(=O)NN=CC(=Cc1ccccc1)C	PC-id_85015514	310.413	HMOYGORMIUPFNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069010
s1c2CCCc2c(c1N=Cc1ccc(OCCC)cc1)C#N	PC-id_3694442	310.413	ZXVXBQWJNIYZQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069011
s1c2CCCc2c(c1NC(=O)Cc1c(ccc(c1)C)C)C#N	PC-id_41618297	310.413	VIUAMJKEKNCUMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069012
c1(NC(=O)C2CCN(CCOC)C2)n(C)nc2CSCc12	MCULE-8812051063,EMOLS-id_316274006	310.415	LXUJMISCMXGOAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069013
c1(NC(=O)C(=O)NCCC)c2CSCc2nn1C(C)(C)C	MCULE-7087648343,EMOLS-id_5617854,ZINC22_5438085,CoCoCo_5184680,PC-id_7685459,ChEMBL-DNDi_CHEMBLF2780-0686	310.415	GFUAQSPECWVBMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069014
c1(NC(=O)NCCCN(C)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_4734078,ZINC22_6661584,STOCK6S-06293,MCULE-3406362246,PC-id_8029969	310.415	GMKKKSHHNSCUNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069015
CC1CC(CN1C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100233484	310.415	JGTRQZONMZLQFH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-069016
CC1CN(CC1NS(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100235920	310.415	IWLUFGUQTJTPLH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-069017
CC(C1CCN(C1)C(=O)NCCc1cn2c(n1)SCC2)O	EMOLS-id_99909234	310.415	UPHOQQLPGRYUIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069018
CCC1COCCN1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99896370	310.415	IDMHZSKQRHEVLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069019
CC(c1nnc2n1CCC2)NS(=O)(=O)C1C2C1CCCC2	EMOLS-id_319263384	310.415	LGAZFDIOQIIMEZ-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-069020
CCC1(O)CCN(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99960432	310.415	SVKFNUHIFZUTTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069021
CCOC(=O)C1CCc2c1nc(s2)NN1CCN(CC1)C	PC-id_104289218	310.415	FQMLFZKBWZUQDB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069022
CN1C2CCC1CN(CC2)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223482	310.415	GCBJABZUYVVQGR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-069023
CN1CCN(C(C1)CNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288863	310.415	JYDBUMCUXLHUPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069024
COCCN1CC[C@H](C(=O)Nc2c3c(nn2C)CSC3)C1	ZINC22_1506427661	310.415	LXUJMISCMXGOAD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-069025
COCCN1CC[C@@H](C(=O)Nc2c3c(nn2C)CSC3)C1	ZINC22_1506427662	310.415	LXUJMISCMXGOAD-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069026
N#Cc1c(sc2c1CCC2)NS(=O)(=O)c1ccsc1	EMOLS-id_318657109	310.415	KQAAFIJZZOSHEB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-069027
OC1CN(C(C1)(C)C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_316569140	310.415	MKPGSMALAISKAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069028
OCC1CCCN(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99903066	310.415	LIUREIOZDJCANL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069029
OCC1CCN(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99909231	310.415	XCUZPCDGRLTVHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069030
O=C(CN1CCN(CCO)CC1)Nc1nc2c(s1)CCC2	EMOLS-id_36640169,ZINC22_69772178,PC-id_53531340,MCULE-8110735406	310.415	NNNJFDHHAJXPTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069031
O=C(N1CC(C1)C(O)(C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_99963219	310.415	JILPHJSIRCAMTN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-069032
O=C(N1CCC(CC1)(C)O)NCCc1nc2n(c1)CCS2	EMOLS-id_99902883	310.415	CRWUVGMQPPWBBE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069033
O=C(NC1(C)CCOC1C)NCCc1cn2c(n1)SCC2	EMOLS-id_99896307	310.415	UVPSKJSUPRWQBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069034
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)C1CCC1	EMOLS-id_100176347	310.415	WETKFPHVDVKUFR-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-069035
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)CC1CC1	EMOLS-id_100186467	310.415	XVSMRAATGMHZCR-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-069036
O=S(=O)(c1cnc2n1CCC2)NC1CCN(CC1)C1CC1	EMOLS-id_100201140	310.415	JXUJDAZGNFODQT-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-069037
O=S(=O)(c1cnc2n1CCC2)NCC1CCN(C1)C1CC1	EMOLS-id_100180277	310.415	ZQZOZEVNIONRQF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-069038
O=S(=O)(Nc1sc2CCCc2c1C#N)c1cccs1	EMOLS-id_318724619,CoCoCo_6400672,MCULE-9806899825	310.415	VSMLLPMYFCFFGA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-069039
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)C(C)C	PC-id_44052855	310.415	SEKXRJPNFRXJQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069040
S1Cc2c(nn(c2NC(=O)CCC)CC(=O)NCCC)C1	PC-id_44052854	310.415	BUJTWZGCYCAKKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069041
c1ccc(Cn2cc(CNC3Cc4cscc4C3)nn2)cc1	ZINC22_2325788426	310.417	FSYUWKNBKPEYQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069042
Cc1n(Cc2ccccc2)c(c2c1C(C)(C)CC2(C)C(=O)N)C	PC-id_12369139,SCHEMBL11609798	310.433	IZZORSYWTAGTGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069043
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1CO	MCULE-7425826919,EMOLS-id_330993593	310.433	CUDAYWGYRFNZJS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-069044
C/C=CC1=C(C=C)c2n(C1CC(=O)CC1CCCCC1)cnc2	SCHEMBL17733869,PC-id_121322089	310.433	XTCBLVJWGDXXFK-BAQGIRSFSA-N	00000011100010000001000010000000000000000000000000000000	25-01-069045
CC(C)c1ccc(cc1)C(=O)CCC(C)c1cn2CCCc2n1	PC-id_134259756,SCHEMBL19871644	310.433	ZRVSQGKXUAVFEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069046
CC(C)CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213113,MCULE-9094970256	310.433	RAOCSHQMYRJJCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069047
CCCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328214900,MCULE-3641467642	310.433	LTKSEZBLEMLWRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069048
CCCCN(C)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6392837791,EMOLS-id_328336541	310.433	NDNBZFOUTWDWFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069049
c1(NC(=S)NCC=C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_44413,PC-id_2847184,BAS-00338237,EMOLS-id_1198262,TIMTEC351418,MCULE-3771743241,STOCK1S-26213,ZINC22_4530196	310.435	ODRBGZKWKUQQOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069050
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCCC	MCULE-3038300477,EMOLS-id_186613210	310.435	SWTXWLMUWOOMLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069051
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(C)C	MCULE-3732793347,EMOLS-id_186617568	310.435	PYGWPMASXUKBCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069052
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCCC1	EMOLS-id_30081130,CoCoCo_6964804,MCULE-6631598408,SPECS-id_AO-476/43417038,ZINC22_13825792,PC-id_19653642	310.435	WQECJVUQKNLINL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069053
O=C(c1sc2c(c1)CSC2)NCCCN1CCCC1=O	PC-id_122175624	310.435	CMFNTPVCLBMHLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069054
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(CC)(C)C)C(=O)N	PC-id_7999899	310.435	WZFIRRONQPHKOQ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-069055
s1c2c(CCC2)c(c1NC(=S)NC1CC1)C(=O)OCC	PC-id_8729373	310.435	RJHRWLVWMYCMBL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-069056
s1c2c(CCC2)c(c1NC(=S)NCC(=C)C)C(=O)OC	PC-id_8748150	310.435	YDLHCHQSTARXBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069057
CCCCCCCCCNC(=O)n1sc2c(c1=O)CCC2	SCHEMBL10738634,PC-id_20159710	310.455	MMCXCAMPVSXZAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069102
s1c2c(CCC2)c(NC(=S)NCC=C)c1C(=O)OCC	PC-id_23959758	310.435	JDFHHMDHTOFCCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069058
c1ccc(cc1)N1CCN(CC1)CCCc1[nH]nc2c1CCC2	PC-id_17773104,SCHEMBL5776684	310.437	PKTZGWVCKFIHAF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069059
c1ccc(CN2CCC(NCc3cnn4c3CCC4)CC2)cc1	MCULE-4473828179,PC-id_136551894,EMOLS-id_316873940,ZINC22_657285561	310.437	JHOCTYAOONCUCA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069060
C1CCCN(CC1)c1ccccc1NCc1cnc2n1CCC2	EMOLS-id_318391559,MCULE-7001308890	310.437	XPLLZWDUFQTREZ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-069061
C1CCCN(CC1)c1cccc(c1)NCc1cnc2n1CCC2	MCULE-4723686851,EMOLS-id_318168847	310.437	RFMAWKRJDQGGBA-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-069062
C1CCN(CC1)CC(c1ccccc1)NC1CCn2c1ncc2	EMOLS-id_318086649	310.437	RZBIENZQAWZQAR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069063
CC1CC(c2n1ccn2)Nc1cccc(c1)CN1CCCCC1	EMOLS-id_318160469,MCULE-7650984525	310.437	BVLUOUIAJXEDRN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069064
CC1CC(c2n1ccn2)NC1CCCN(C1)Cc1ccccc1	MCULE-3257457349,EMOLS-id_317942066	310.437	HIYWCBXKDSUJLL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069065
CC1CC(c2n1ccn2)NC1CCN(CC1)Cc1ccccc1	EMOLS-id_317924144,MCULE-1326190623	310.437	DLGHOYQMMBYGSR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069066
CC1CC(c2n1ccn2)NC(c1ccccc1)CN1CCCC1	EMOLS-id_318157649	310.437	IEMAZFCPBXKVOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069067
CC1CC(c2n1ccn2)NCc1ccccc1N1CCCCC1	MCULE-4591296727,EMOLS-id_318082869	310.437	PJHIGDUPMLELHP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069068
CC1CC(c2n1ccn2)NCC1CCCN(C1)c1ccccc1	EMOLS-id_318012718,MCULE-2183938616	310.437	ADIBJJCCNRNUAA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069069
CC1CC(c2n1ncn2)NC1CCCCC1Cc1ccccc1	MCULE-5181622271,EMOLS-id_318399365	310.437	CAOGYQMXJLUOTH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069070
CC1CC(c2n1ncn2)NCC1(CCCCC1)c1ccccc1	EMOLS-id_318675979,MCULE-9919025423	310.437	KDAVGTAHJHTOLQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069071
Cc1cccc(c1)C1(CCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_318738077,MCULE-1559727666	310.437	OISUUSGGDSUZNC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069072
Cc1ccc(cc1C)C1(CCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_318397346,MCULE-1418597223	310.437	XCZKNHOTTZKKGP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-069073
Cc1ccc(cc1)CN1CCC(C1)NC1CC(n2c1ncc2)C	MCULE-7769567097,EMOLS-id_318116275	310.437	NXFRKYFWLSYBME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069074
Cc1ccccc1CN1CCC(CC1)NC1CCn2c1ncc2	MCULE-7665287352,EMOLS-id_318102160	310.437	QYKNKNZODSMMGL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069075
CC1CCCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318011961,MCULE-6564037223	310.437	LNHDKZXTVUPHOJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069076
CC1CCCCC1Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318166652,MCULE-6920464026	310.437	GAGWWKSCVWEJED-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069077
CC1(C)CCCC1Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-2042730376,EMOLS-id_318166140	310.437	ZVANCEIXCSQINF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069078
CC1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-5997696228,EMOLS-id_318085773	310.437	MCTPNGLQZJAOKR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069079
CC1(C)CCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-7768015566,EMOLS-id_318288241	310.437	PJHUTLFCTLJWIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069080
Cc1cccc(c1)NC1CCN(CC1)Cc1cnc2n1CCC2	MCULE-1581151520,EMOLS-id_318367327	310.437	ADLORHQWOVNSPU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069081
Cc1cccc(c1)NC1CCN(CC1)Cc1nn2c(c1)CCC2	MCULE-9718726790,EMOLS-id_318087488	310.437	NNRIABRRKWLWST-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069082
CC1CCCCN1Cc1ccc(cc1)NC1CCn2c1ncc2	EMOLS-id_318360887,MCULE-4532938138	310.437	FDGLXVJZIKWEQW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069083
CC1C(CCN1Cc1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_317923888,MCULE-6841793891	310.437	JPAQIYXUDBWKEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069084
CC1CC(CN1Cc1ccccc1)NC1CC(n2c1ncc2)C	MCULE-3689119658,EMOLS-id_317962033	310.437	FXCCPMJRXDEVOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069085
Cc1cccnc1C1CCCC(C1)NC1CC(n2c1ncc2)C	MCULE-9463074745,EMOLS-id_318194756	310.437	YZFMCOBEIYRHRR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069086
CC1CCN(c2cccc(NCc3cnc4n3CCC4)c2)CC1	ZINC22_657410281,EMOLS-id_316871896,MCULE-3995230385	310.437	DYMSBANOIXPOBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069087
CC1CC(NCc2nnc3n2CCC3)CC(C1)c1ccccc1	EMOLS-id_318460179,MCULE-9565916887	310.437	MOLUATWWZTWTFQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069088
CC1CN(CC1NC1CC(n2c1ncc2)C)Cc1ccccc1	EMOLS-id_317964604,MCULE-6202830734	310.437	QRLDVQOBMIWXOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069089
CC(C1(CCCC1)c1ccccc1)NC1CC(n2c1ncn2)C	MCULE-1974311947,EMOLS-id_318597735	310.437	OVHNLJBRPFMJDB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069090
CCc1ccc(cc1)C1CNCCN1Cc1nn2c(c1)CCC2	MCULE-9567802893,EMOLS-id_318158699	310.437	HQXIFYCDBIVTDT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069091
CC(c1cccc(c1)N1CCCC1)NC1CC(n2c1ncc2)C	MCULE-3136429391,EMOLS-id_318365243	310.437	FBEQOCOJVQOUPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069092
CC(c1ccccc1)N1CCC(C1)NC1CC(n2c1ncc2)C	MCULE-6572586241,EMOLS-id_318226395	310.437	QADSEQQGUFOGLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069093
CC(c1ccccc1)N1CCC(CC1)NC1CCn2c1ncc2	MCULE-1359050583,EMOLS-id_318102419	310.437	AFESEAGNMGAXDY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069094
CC(c1nn2c(c1)CCC2)NC1CCCN(C1)c1ccccc1	EMOLS-id_318306905,MCULE-1480776452	310.437	WQWCRTBQMMMJCW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069095
CC(c1nnc2n1CCC2)NC1CCC(C1)(C)c1ccccc1	MCULE-7731601890,EMOLS-id_318261319	310.437	NNKVLFVCLQADKE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069096
CC(c1nnc2n1CCC2)NC1CCCC(C1)c1ccccc1	EMOLS-id_318672928,MCULE-2546156856	310.437	NOSIMAUNZSXUPM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069097
CC(c1nnc2n1CCC2)NC1CCC(CC1)c1ccccc1	MCULE-9409737548,EMOLS-id_318019135	310.437	IZQPWHRENGULIL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069098
NCC1(CCN(CC1)Cc1nn2c(c1)CCC2)c1ccccc1	MCULE-9132428114,EMOLS-id_318662719	310.437	FBBWNGSUMFJSTA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069099
S1c2n(CC1)c(c(n2)C)CSCCN/C(=N/C)/NC#N	PC-id_50878405	310.442	JBGLCXHNOWHASV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069100
CCCCCCCCC1=NS(=O)(=O)c2c1c(C)n(c2C)C	SCHEMBL17339804,PC-id_118579461	310.455	YFIQLECGCPSVGD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-069101
CC(CCCCCCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_107818844	310.455	BUBZSJXESBGKFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069103
CCCCCC(CNc1nc2c(s1)CCC2C(=O)O)(C)C	PC-id_104289093	310.455	DJFMVBULBCDNLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069104
CCCCCC(Nc1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_104288495	310.455	OPSBIFMLBBKDCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069105
CC(CCCN(C)C)NC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956579	310.455	ZQAUQRXRJFCURM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069106
CC(C)(CNC(=O)c1c(c2c(s1)CCC2)OC)CN(C)C	PC-id_91956574	310.455	KCFZOODHVKLVCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069107
CC(C)(C)OC(=O)NCC(C)(CN)c1cc2CCCc2s1	MCULE-7801503631,EMOLS-id_313971801	310.455	QJFGKJHYNCCCJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069108
CCC(N(c1nc2c(s1)CCC2C(=O)O)CC(C)C)CC	PC-id_104289066	310.455	HCPRAHGLJHNHCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069109
CC(NCc1sc2c(c1)CCC2)CNC(=O)OC(C)(C)C	PC-id_103389454	310.455	DIMXCROZFGUTQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069110
CCN(CC)CCCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956557	310.455	TUEABTZCIKYDCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069111
CCOC(=O)C1CCc2c1nc(s2)N(C(C(C)(C)C)C)C	PC-id_104288110	310.455	OYLRYSFDZPZUHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069112
CCOC(=O)C1CCc2c1nc(s2)N(C(CC(C)C)C)C	PC-id_104288426	310.455	JHZFTOLQZXAMGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069113
CCOC(=O)C1CCc2c1nc(s2)N(C(C)C)CC(C)C	PC-id_104288440	310.455	ZKIBFEFOJWJZBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069114
CCOC(=O)C1CCc2c1nc(s2)NC(C(CC)CC)C	PC-id_104288708	310.455	RBIFBTSYBWZNFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069115
CCOC(=O)C1CCc2c1nc(s2)NC(CCC(C)C)C	PC-id_104288838	310.455	RMMOGBBDXGSBED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069116
CCOC(=O)C1CCc2c1nc(s2)NC(CC(CC)C)C	PC-id_104288858	310.455	MGSWSNIXEGJLFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069117
CCOC(=O)C1CCc2c1nc(s2)NC(CC)(CC)CC	PC-id_104288912	310.455	LHFRHXWRIJFWOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069118
CCOC(=O)C1CCc2c1nc(s2)N(CC(CC)C)CC	PC-id_104289075	310.455	OMGWGBKNGHCBED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069119
CCOC(=O)C1CCc2c1nc(s2)NCCCCC(C)C	PC-id_104289164	310.455	RDSFZTNVIRIUDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069120
CCOC(=O)C1CCc2c1nc(s2)NCC(C(C)(C)C)C	PC-id_104289236	310.455	BEFMVYXNMYIASN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069121
CCOC(=O)C1CCc2c1nc(s2)NCC(C(C)C)(C)C	PC-id_105713348	310.455	DWUYPNSITICJBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069122
s1c2c(CCC2)cc1CNCCCNC(=O)OC(C)(C)C	PC-id_81745844	310.455	GVYRBWOZFFSQJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069123
s1c2CN(Cc2cc1C(=O)NCCCOC(C)C)C(C)C	PC-id_53171249	310.455	XBOODWVGTSABJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069124
CCc1c(CC2=C(C=CC2)n2[nH]cc2C)sc2c1C=CC2C	PC-id_144512430	310.456	IYBKICRMJGJHFC-UHFFFAOYSA-N	00000111100000000001100010000000000000000000000000000000	25-01-069125
CCNC(=NCc1nnc2n1CCC2)NCC(SC)(C)C	PC-id_111609220	310.461	LDQFQOXJERBKIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069126
CSCCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111626088	310.461	MTOHMBDCDPBZAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069127
CC1(Cc2c(C1)n(nc2C(=O)O)COCC[Si](C)(C)C)C	SCHEMBL15564774,PC-id_90037068	310.464	AGEBJIYPCBPPQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069128
CCCCCS/C(=N/c1sc2c(c1C)CCC2)/NC=O	PC-id_143287216	310.478	YUQADAFRUBMITD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069129
O=C(NCc1sc2c(c1)CCC2)CSC1CCNCC1	PC-id_114627212	310.478	COCHAXQPWNHQHS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-069130
s1c2c(CCC2)cc1C(=O)N(CC(C)C)CCC(=S)N	PC-id_61664673	310.478	MLAHRIWYWRJACL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069131
CCCCCCCC(CC1(CO)Cc2c(C1)csc2)(O)C	PC-id_71141592,SCHEMBL14327186	310.495	IADOKNAYSFOSDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069132
s1c2CCCc2nc1C(NCCOC)CCCCCCC	PC-id_62542426	310.498	ZJSSPZGSVUOJFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069133
s1c(nc2c1CCC2)C(NCCOC)(CC(CC)C)CC	PC-id_62541919	310.498	MWEDXSRVSVZRKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069134
s1c(nc2c1CCC2)C(NCCOC)(CCCCCC)C	PC-id_62542265	310.498	ODQULQUUVFBLRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069135
C[Si](C)N(CCCn1c(c2CCCc2c1O)O)[Si](C)C	PC-id_91571825	310.539	AKOKVUDQTBPOCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069136
CCCCCCCCCCCCC1Cc2c(S1)csc2	SCHEMBL2690064,PC-id_67499492	310.561	SVNFKXUJENIZAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069137
OC(=O)O[C@H]1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl	SCHEMBL19583899	310.693	ADRQCYSGUFOGQO-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-069138
OC(=O)O[C@H]1CCc2n1c(=O)n(n2)Cc1ccnc(c1)Cl	SCHEMBL19583767	310.693	AZUZBDBUPSWUEA-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-069139
Clc1ccc(o1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_103602558	310.756	ZGQFLLCCFNUOQI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-069140
Clc1ccc(OCC(=O)Nc2onc3c2CSC3)cc1	PC-id_49719063	310.756	PARPFOCOKPHOEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069141
Clc1cc(C(=O)Nc2onc3c2CSC3)c(OC)cc1	PC-id_49720081	310.756	LYXNLFGBRDJFLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069142
Clc1oc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_32741386	310.756	DHGPMRYUTOBGHK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-069143
Clc1sc2CCC(Nc3c([N+](=O)[O-])cc(O)cc3)c2c1	PC-id_81234123	310.756	MIVRGQQQKQBFBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069144
NC(=O)c1c(sc2c1CCC2)NC(=O)c1ccoc1Cl	PC-id_106685710	310.756	FXFMLNGNJHVMQZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-069145
c1(NC(=O)COc2ccc(cc2)Cl)nnc2SCCn12	PC-id_16031379,CoCoCo_2590510,MCULE-6520390466,EMOLS-id_16349437,ChEMBL-DNDi_CHEMBLF2079-0091,CHEMBL1315983	310.759	CTWFPBMNSYLRET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069146
c1(nnc2SCCn12)NC(=O)c1cc(Cl)ccc1OC	ZINC22_8600552,CoCoCo_2590504,PC-id_16031371,MCULE-3640312620,EMOLS-id_16349425	310.759	BAWHXRKRTBARLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069147
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(s1)Cl	PC-id_9815185,SCHEMBL2918218	310.759	SUQRZWAUAZPWLI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069148
CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1c(ccs1)Cl	PC-id_90928117	310.759	KFHFKOUGKSIMES-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069149
Clc1ncc(c(n1)NCc1sc2c(c1)CCC2)[N+](=O)[O-]	PC-id_106194069	310.759	RXQNCYOGJYGPID-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-069150
O=[N+]([O-])c1cc(Cl)ccc1NCc1cn2c(n1)SCC2	PC-id_122140972,MCULE-8532452573,EMOLS-id_172307261,ZINC22_408516819	310.759	JHMAMZFYAIDLLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069151
[O-][N+](=O)c1c(ncnc1Cl)NCc1sc2c(c1)CCC2	PC-id_106194072	310.759	IFTVDAILBHHKCL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-069152
CC1CCc2c1c(CCl)nn2Cc1c(C)cc(F)cc1F	EMOLS-id_331028224,MCULE-7579779477	310.769	BIAVAQXOJHNYDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069153
CC1CCc2c1c(CCl)nn2Cc1ccc(F)c(F)c1C	EMOLS-id_331027968,MCULE-6724115525	310.769	GOQDQIXVKDRSKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069154
CC1CCc2c1c(CCl)nn2Cc1cc(F)cc(F)c1C	MCULE-4238889393,EMOLS-id_331027712	310.769	JQFGPXOPTPBCIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069155
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(CCl)c12	MCULE-1921988703,EMOLS-id_331008186	310.769	PUTDWCXJHJBEJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069156
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(CCl)c12	EMOLS-id_331007930,MCULE-7548480187	310.769	KJXUSFSMMBTMCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069157
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(CCl)c12	MCULE-2449828515,EMOLS-id_331007674	310.769	WPEHMCLOIRJUKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069158
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960565,MCULE-3444921810	310.769	WNVLAPPIYAMMEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069159
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1CCl	MCULE-3635345940,EMOLS-id_331009471	310.769	FTZFWALOSVLKES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069160
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008701,MCULE-5527764702	310.769	QYVPPFBOCUVWIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069161
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1CCl	MCULE-3440157757,EMOLS-id_331008957	310.769	DEKDVCLWUYJDHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069162
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009215,MCULE-3351949565	310.769	HCORJLBRBAOJQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069163
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008959,MCULE-7454743427	310.769	NJPNBEYVYUAMLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069164
Clc1c(CC(=O)Nc2sc3CCCc3n2)c(F)ccc1	PC-id_26723081	310.774	NGKDPWSZQGILGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069165
Clc1sc2CCC(Nc3cc(ccc3F)C(=O)N)c2c1	PC-id_81251724	310.774	RWXJIHAXZIZXMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069166
Clc1sc2CCC(Nc3cc(c(F)cc3)C(=O)N)c2c1	PC-id_81251952	310.774	BKBBNRIZSHTXOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069167
Fc1ccc(CNC(=O)C2CCc3ncsc23)c(Cl)c1	PC-id_78318418,SCHEMBL15903487,BindingDB-id_412899,BindingDB_PC-id_78318418	310.774	FNNPXENZVURFNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069168
Fc1cnc(c(c1)C(=O)NCc1sc2c(c1)CCC2)Cl	PC-id_108065778	310.774	DLTFGJHGGKVPLG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-069169
C=CCN1CCC(CC1)NC(=O)c1nn2CCOc2c1Cl	PC-id_91960020	310.779	RUBKCMADMYRZJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069170
Clc1sc(nn1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_80625523	310.782	SGZHOYNOPOIGMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069171
Cc1cc(ccc1Cl)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318511672	310.799	LFTUAYCKPZBHCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069172
Cc1ccc(c(c1)Cl)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318658271	310.799	BBSUHNWHHUBLBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069173
Cc1cccc(c1CS(=O)(=O)c1[nH]c2c(n1)CCC2)Cl	EMOLS-id_318680980	310.799	TUAVMBJESSYESE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069174
Clc1ccc(c(c1)C)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318703991	310.799	MIUCAMWMILLJNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069175
Clc1cccc(c1)C(S(=O)(=O)c1[nH]c2c(n1)CCC2)C	EMOLS-id_318553176	310.799	WRJMEOVGTSJRQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069176
Clc1ccc(cc1)C(S(=O)(=O)c1[nH]c2c(n1)CCC2)C	EMOLS-id_318582250	310.799	ADJYWSUAXZZUKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069177
CNC1CCc2c1cn(c2)S(=O)(=O)c1cccc(c1)Cl	PC-id_142724150	310.799	KDIPIBSFCDJERP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069178
COCCn1ncc(c1C(=O)c1sc2c(c1)CCC2)Cl	PC-id_115815299	310.799	BIYKKMUCNSDKKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069179
Cc1nn(c(c1Cl)C(=O)NCc1sc2c(n1)CCC2)C	EMOLS-id_318565533	310.802	QBQSFNYVSIAAGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069180
CC(c1nnc2n1CCC2)NC(=O)c1scc(c1Cl)C	EMOLS-id_318592684	310.802	NTRQJZXXISEGCX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069181
CCc1nn(c(c1C(=O)Nc1sc2c(n1)CCC2)Cl)C	EMOLS-id_318512578	310.802	LVYNPMJCAFKJNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069182
CCn1nc(c(c1Cl)C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318664677	310.802	HUZBCCNPBHXSHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069183
CCOc1nc(NCc2sc3c(c2)CCC3)nc(n1)Cl	PC-id_106194054	310.802	QVAWLRPQJWTAJC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-069184
Clc1sc2CCC(Nc3cn(nc3)CC(=O)NC)c2c1	PC-id_81251960	310.802	CGRLLGRHRXTBJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069185
O=c1n(C)ncc(c1Cl)NCCc1sc2c(n1)CCC2	MCULE-6724631123,EMOLS-id_318760791	310.802	BMTQMLNPPGNYIW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-069186
O=C(c1c(C)nn(c1Cl)C)NCc1sc2c(n1)CCC2	EMOLS-id_318604344	310.802	WNFGODNOJNYPPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069187
O=C(c1nn(c(c1Cl)C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318718428	310.802	AXUXNPHJXZGSDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069188
O=C(Cn1nc(c(c1C)Cl)C)Nc1sc2c(n1)CCC2	EMOLS-id_318644570	310.802	JXBKXBKFDWURFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069189
O=C(Nc1sc2c(n1)C(CC2)(C)C)Cn1ncc(c1)Cl	EMOLS-id_318673136	310.802	ODELHNTVIINGAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069190
CCNC(c1ccc(cc1Cl)F)c1sc2c(n1)CCC2	PC-id_108298467	310.817	LRGPNWDBPFTBPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069191
CCNC(c1cccc(c1F)Cl)c1sc2c(n1)CCC2	PC-id_114488400	310.817	HYOKSFHSPYOXRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069192
CCNC(c1ccc(cc1F)Cl)c1sc2c(n1)CCC2	PC-id_114859179	310.817	JVSRJFDAICAXGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069193
CCNC(c1cc(Cl)ccc1F)c1sc2c(n1)CCC2	PC-id_114859180	310.817	DZMCEEFMCMWCED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069194
CCNC(c1sc2c(n1)CCC2)c1cc(F)cc(c1)Cl	PC-id_114453967	310.817	FBONNWCOBLGNSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069195
Clc1cc(C(NCC)c2sc3CCCc3n2)ccc1F	PC-id_81154388	310.817	KGBZZKFNCFOGKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069196
Clc1c(C(NCC)c2sc3CCCc3n2)c(F)ccc1	PC-id_61332386	310.817	KVTBEDRFXZFRRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069197
Clc1c(F)cc(C(NCC)c2sc3CCCc3n2)cc1	PC-id_61650302	310.817	RQZIHNNJVSTHSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069198
NNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Cl)F	PC-id_103044303	310.817	RBZJYYMXRWGVSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069199
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)F	PC-id_105332812	310.817	PEDJCPRJUNTBBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069200
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)F	PC-id_113700454	310.817	DEAMMDJCXYIUCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069201
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1F)Cl	PC-id_105342696	310.817	NGKXPWWVRXZRRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069202
NNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)Cl	PC-id_107895659	310.817	MPGVRTHDEJNJPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069203
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1F)Cl	PC-id_113746842	310.817	QMXNWBDBJVQBBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069204
NNC(c1sc2c(c1)CCC2)Cc1cc(Cl)ccc1F	PC-id_103053843	310.817	JBUJMGIQIJDMJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069205
NNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1Cl	PC-id_102623556	310.817	HQHJRDOIQVKDSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069206
NNC(c1sc2c(c1)CCC2)Cc1c(F)cccc1Cl	PC-id_105289034	310.817	GRPABBBPEFWDRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069207
C1c2c(CS1)sc(c2C(=O)Nc1ccc(cc1)Cl)N	SCHEMBL20340302,PC-id_135188136	310.822	CEXGPZDNJHOWIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069208
C1CSc2c1c(c(s2)N)C(=O)Nc1ccc(cc1)Cl	PC-id_135200428,SCHEMBL20354015	310.822	QRLSENWMAJKJPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069209
Sc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_107025675	310.822	WOPZCKAPBYMTEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069210
N#Cc1c(Cl)nsc1NCCc1sc2c(n1)CCC2	MCULE-9607456554,EMOLS-id_318720499	310.826	DRHYTVWMCYVPBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069211
N#Cc1nc(sc1Cl)NCCc1sc2c(n1)CCC2	EMOLS-id_318636459,MCULE-9809091960	310.826	WIBVCBHEHSYKJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069212
N#Cc1sc(nc1Cl)NCCc1sc2c(n1)CCC2	EMOLS-id_318557270,MCULE-5772772012	310.826	GBCMWUGECRNHKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069213
CCc1nn(c(c1Cl)CC(c1sc2c(c1)CCC2)O)C	PC-id_115813023	310.842	TTWXHQXPTNQUGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069214
CCn1nc(c(c1CC(c1sc2c(c1)CCC2)O)Cl)C	PC-id_115813252	310.842	ITZTZQUKLHGOCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069215
Clc1sc2c(C(NCC(N(C)C)c3occc3)CC2)c1	PC-id_81251400	310.842	FZBQEEGRVGWKFM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-069216
CCCn1ncc(c1C(c1sc2c(c1)CCC2)NN)Cl	PC-id_105337152	310.845	MIWXGJMTSUOVAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069217
NNC(c1c(Cl)cnn1C(C)C)c1sc2c(c1)CCC2	PC-id_113704774	310.845	GPMHHYGFTMKLPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069218
NNC(c1sc2c(c1)CCC2)Cc1c(C)nn(c1Cl)C	PC-id_105334012	310.845	GEBLXERBQBFYNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069219
NNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Cl)C	PC-id_105315964	310.845	CBAHMRYZTCHTPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069220
C12=C(C(=N)C(=O)S1)SC(=C2I)O	PC-id_146924336	310.857	KPJSJXYWGFUGRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069221
ClC(c1sc2c(CCC2)c1)c1sc(C(C)(C)C)cc1	PC-id_81635588	310.905	GPBTWFGLCYSGCY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-069222
Brc1sc(Br)c2c1C(=O)NC2=O	PC-id_71055198,SCHEMBL14043225	310.951	NEEDMYREYHNDOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069223
Brc1sc(Br)c2c1C(N)CC2=O	SCHEMBL75602,PC-id_378795	310.994	ZBJKXPGYCUSNHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069224
N[C@@H]1CC(=O)c2c(Br)sc(Br)c12	PC-id_92202065,CoCoCo_5726717,ZINC22_3593485	310.994	ZBJKXPGYCUSNHR-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069225
N[C@H]1CC(=O)c2c(Br)sc(Br)c12	ZINC22_1638243,PC-id_92153654,CoCoCo_5726718	310.994	ZBJKXPGYCUSNHR-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069226
c12CN(Cc1sc(Br)c2CBr)C	EMOLS-id_331063337,MCULE-6115142046	311.037	DELUIOKQMFTQJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069227
Brc1scc2c1C(F)(F)C(C2(F)F)(F)F	SCHEMBL76184,PC-id_59787517	311.042	LKWDIQLRPZCHFV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069228
C1CN2C(=C(C=N2)C(=O)O)N1CC3=CC(=CC=C3)C(F)(F)F	PC-id_151265394	311.088	NVFOFOCNSWWAFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069229
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)CCO	PC-id_164872240	311.094	KVZATDTWFHNVOF-NYYWCZLTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069230
C1CC2=NC=C(N2C1)CNC(C3=CC(=CC=C3)Cl)C(F)F	PC-id_154769795,MCULE-1577230739,EMOLS-id_317363981	311.1	YKBUNDVTRVDTAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069231
Brc1noc(c1)CNC(=O)c1occ2c1CCC2	EMOLS-id_318470359	311.131	MTMYGKYGHHFRHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069232
O=C(C1NCc2c1c[nH]n2)NCc1[nH]ncc1Br	EMOLS-id_319908100,MCULE-1683248500	311.138	TZVWCAQGVPDZAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069233
CC(n1nc2CCC(C)c2c1CBr)C(F)(F)F	MCULE-7733387127,EMOLS-id_331012795	311.141	JDCRYBGFPGKEGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069234
CC(n1nc(CBr)c2C(C)CCc12)C(F)(F)F	MCULE-4607669916,EMOLS-id_331033857	311.141	TZXJMUYBJOCTGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069235
CC(N1Cc2c(C1)c(=O)[nH]n2I)S	SCHEMBL19454150	311.143	RYOYWLFUGJEWPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069236
c1(C(=O)N)c2CSCc2sc1I	EMOLS-id_331059757,MCULE-6634338169	311.163	VREDARRAYCMEMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069237
c1(C(=O)N)sc2CSCc2c1I	EMOLS-id_330871620,MCULE-6011107509	311.163	UXVJYMUOWHBITG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069238
O=C(c1occ2c1CCC2)NCc1c(Cl)cncc1Cl	EMOLS-id_318663793	311.163	MEBSEYRKKDWYGA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-069239
O=C(c1c(Cl)cccc1Cl)NCc1nnc2n1CCC2	EMOLS-id_318453155	311.167	DYABJJQCJDONHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069240
O=C(c1c(Cl)cncc1Cl)NCc1cnc2n1CCC2	EMOLS-id_319848293	311.167	UKDPOFWCCMMDBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069241
O=C(c1c(Cl)cncc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318886985	311.167	XDBXZLZQBQGOTN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069242
O=C(c1cnc2n1CCC2)NCc1c(Cl)cncc1Cl	EMOLS-id_318460083	311.167	BIZZLHUAIJYPEY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069243
O=C(c1cnn2c1CCC2)NCc1c(Cl)cncc1Cl	EMOLS-id_318651096	311.167	LFPXQJGGSZARTE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069244
O=C(c1nn2c(c1)CCC2)NCc1c(Cl)cncc1Cl	EMOLS-id_318603409	311.167	PNJZDYFXQLMCPN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069245
O=C(NCc1nnc2n1CCC2)c1cccc(Cl)c1Cl	EMOLS-id_16737770,ZINC22_12938461,PC-id_17521280,MCULE-3947314900,CoCoCo_4491051	311.167	YFIBHOLCVXAFNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069246
O=C(NCc1nnc2n1CCC2)c1ccc(Cl)cc1Cl	EMOLS-id_18876262,ZINC22_24750282,MCULE-7052977912,CoCoCo_4560451,PC-id_32066720	311.167	JMFGBSKOGSZKGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069247
O=C(NCc1nnc2n1CCC2)c1ccc(Cl)c(Cl)c1	MCULE-4372092002,ZINC22_12992899,PC-id_17504023,EMOLS-id_16689455,CoCoCo_4491039	311.167	LHSACOJWRSZIIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069248
O=C(NCc1nnc2n1CCC2)c1cc(Cl)ccc1Cl	CoCoCo_4474357,ZINC22_13001551,MCULE-1433347217,EMOLS-id_16702304,PC-id_17508901	311.167	LSBPQDBPCMDEMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069249
O=C(NCc1nnc2n1CCC2)c1cc(Cl)cc(Cl)c1	PC-id_17446319,EMOLS-id_13467911,MCULE-4218312650,ZINC22_14117151,CoCoCo_4491052	311.167	JFJHEQDOQMMQGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069250
C[C@H]1CCN(C1)C(=O)C2=CN=C(C=C2)NC3CCC4=C3C=NN4	PC-id_153602360	311.175	JFYXLYCVOLICCZ-ZSOXZCCMSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069251
Brc1ccc(o1)CNC(c1nnc2n1CCC2)C	EMOLS-id_317930780,PC-id_43748088,MCULE-7143991148	311.178	LNNUURCXSHOVLI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-069252
CC(c1nnc2n1CCC2)NCc1occc1Br	EMOLS-id_317932055,MCULE-9806807010,PC-id_103675299	311.178	JPWVDXARZZUCGQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-069253
CC[C@H](CC#N)NC(=O)c1nc2n(c1Br)CCC2	ZINC22_585089512	311.178	SMXOKJMEBRPPOJ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069254
CC[C@@H](CC#N)NC(=O)c1nc2n(c1Br)CCC2	ZINC22_585089513	311.178	SMXOKJMEBRPPOJ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069255
CCC(NC(=O)c1nc2n(c1Br)CCC2)CC#N	EMOLS-id_177290437,MCULE-1963868656	311.178	SMXOKJMEBRPPOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069256
C1C(C(=O)c2c1scc2)C(=O)c1cc(cc(c1)Cl)Cl	SCHEMBL15312288,PC-id_86699220	311.183	HKSWUMXUNQDNHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069257
Brc1cccc(c1)Cn1nc2c(c1O)CSC2	EMOLS-id_260999248	311.198	VKNXPZVNGPADTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069258
Brc1ccc(cc1)Cn1nc2c(c1O)CSC2	EMOLS-id_314871323	311.198	UXTBFBCLNQPCRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069259
Brc1ccccc1Cn1nc2c(c1O)CSC2	EMOLS-id_315790980	311.198	LTVYVDGIEPMJMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069260
Brc1ccc(Cn2[nH]c3c(CSC3)c2=O)cc1	PC-id_83196360	311.198	CVUCKQZPUCSMPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069261
Brc1cc(Cn2[nH]c3c(CSC3)c2=O)ccc1	PC-id_83196463	311.198	LADOPXGBFXOOOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069262
Brc1ccc(OCc2sc3CCNc3n2)cc1	PC-id_82095102	311.198	NQBRJYUSIQRGHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069263
Brc1c(Cn2[nH]c3c(CSC3)c2=O)cccc1	PC-id_83196572	311.198	DQLVDKSAEIAXDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069264
Brc1cc(OCc2sc3CCNc3n2)ccc1	PC-id_82095101	311.198	CPFVXVQOSGTGMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069265
Brc1cnn(c1C(=O)c1sc2c(c1)CCC2)C	PC-id_115815015	311.198	DRQOXRIBNKSVFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069266
Brc1c(OCc2sc3CCNc3n2)cccc1	PC-id_82095100	311.198	OIRKFEUGBVGPCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069267
CCC(C)(C)c1ccc(cc1)OCCC1=NCc2cc(nn12)C	PC-id_163686079	311.2	NLBRPWNRENXCFV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-069268
Brc1ccc(nn1)NCc1sc2c(n1)CCC2	EMOLS-id_318435923	311.201	CXCTVORHMOGPDS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-069269
Brc1cnc(c(c1)N)Nc1sc2c(n1)CCC2	PC-id_114052100	311.201	QXJRTBYSLCAVRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069270
Brc1cnc(nc1)NCc1sc2c(n1)CCC2	EMOLS-id_318438483	311.201	WGCINSJQPKMEES-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-069271
Nc1cnc(c(c1)Br)Nc1sc2c(n1)CCC2	PC-id_108186045	311.201	NOZDNIQOGPVUSB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069272
Clc1sc(Cl)c2c1C(SCC(=O)OC)CC2=O	PC-id_397150	311.205	MKAYYMTYOMNDPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069273
COC(=O)CS[C@H]1CC(=O)c2c1c(Cl)sc2Cl	CoCoCo_5771143,NSC704551	311.205	MKAYYMTYOMNDPZ-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069274
COC(=O)CS[C@@H]1CC(=O)c2c1c(Cl)sc2Cl	CoCoCo_5771144	311.205	MKAYYMTYOMNDPZ-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069275
c12CSCc1sc(CNC)c2I	MCULE-8950593091,EMOLS-id_330871876	311.206	DEOVZROBWUDGRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069276
c1(CNC)c2CSCc2sc1I	EMOLS-id_331060013,MCULE-6881183216	311.206	UNHOTIFTDJJQBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069277
COc1ccc(Cn2nc3CCC(C)c3c2Cl)cc1Cl	EMOLS-id_331020207,MCULE-1489445620	311.206	OSXBTINPBYJILI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069278
COc1ccc(Cn2nc3CCC(C)c3c2Cl)c(Cl)c1	MCULE-6916908559,EMOLS-id_331020463	311.206	KYVLUTUUBWNKMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069279
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)cc1Cl	MCULE-7847680852,EMOLS-id_330973683	311.206	VERYQRNOFLBIBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069280
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)c(Cl)c1	MCULE-7885971010,EMOLS-id_330973939	311.206	XAHLXVOYUOEQQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069281
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1Cl	EMOLS-id_330958259,MCULE-2357586229	311.206	IQMJDMJTRLYURM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069282
COc1cc(Cl)ccc1Cn1nc(Cl)c2C(C)CCc12	MCULE-6501658394,EMOLS-id_330977270	311.206	UMDNQCNIFDJQKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069283
COc1cc(Cn2nc3CCC(C)c3c2Cl)ccc1Cl	MCULE-8900160392,EMOLS-id_330958003	311.206	BIZRJTKUAFHBSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069284
COc1cc(Cn2nc(Cl)c3C(C)CCc23)ccc1Cl	MCULE-4415163963,EMOLS-id_330977014	311.206	RCVNMGCMQWJGMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069285
CC(c1ccc(c(c1)Cl)Cl)NCc1nnc2n1CCC2	EMOLS-id_318607394,MCULE-1858800786	311.21	BWWLOPLGBKHIFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069286
CC(c1cccc(c1Cl)Cl)NCc1nnc2n1CCC2	MCULE-9169046959,EMOLS-id_318601055	311.21	POIWQYAOLMXBCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069287
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)Cl)Cl	EMOLS-id_317923512,PC-id_43433226,MCULE-7165871657	311.21	TXDHSXLREKQFFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069288
CC(c1nnc2n1CCC2)NCc1cccc(c1Cl)Cl	EMOLS-id_317950321,PC-id_43433203,MCULE-7312993960	311.21	QANVSHUIQXJUNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069289
CC(c1nnc2n1CCC2)NCc1c(Cl)cccc1Cl	EMOLS-id_317927280,MCULE-5884671643,PC-id_43748112	311.21	CGAYSSMPXXPKQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069290
C[C@@H](c1ccc(c(c1)Cl)Cl)NC1CC(n2c1ncn2)C	EMOLS-id_318617825	311.21	GCNYWGUUDIKWAH-JVVWGOMOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069291
C[C@H](c1ccc(c(c1)Cl)Cl)NC1CC(n2c1ncn2)C	MCULE-5205205625,EMOLS-id_318432100	311.21	GCNYWGUUDIKWAH-XQVHRTOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069292
Clc1ccc(c(c1)[C@H](NC1CC(n2c1ncn2)C)C)Cl	EMOLS-id_318483169,MCULE-8344949003	311.21	WATOGTLSRPIFHW-XQVHRTOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069293
Clc1ccc(c(c1)[C@@H](NC1CC(n2c1ncn2)C)C)Cl	EMOLS-id_318494224	311.21	WATOGTLSRPIFHW-JVVWGOMOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069294
Clc1ccc(cc1Cl)CCNC1CC(n2c1ncn2)C	EMOLS-id_318718090,MCULE-3499515317	311.21	ZTICWVHPIJOUGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069295
Clc1cccc(c1Cl)CCNC1CC(n2c1ncn2)C	MCULE-8318556613,EMOLS-id_318714004	311.21	XKSLESGLYZUHSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069296
Clc1ccc(c(c1)Cl)CCNC1CC(n2c1ncn2)C	MCULE-8887883761,EMOLS-id_318736175	311.21	CWDGKCKSVCWPRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069297
Clc1ccc(c(c1)Cl)[C@H](NC1CC(n2c1ncn2)C)C	EMOLS-id_318681009	311.21	JGTXYQMDJZITBW-XQVHRTOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069298
Clc1ccc(c(c1)Cl)[C@@H](NC1CC(n2c1ncn2)C)C	MCULE-8712215019,EMOLS-id_318615476	311.21	JGTXYQMDJZITBW-JVVWGOMOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069299
Clc1ccc(c(c1)Cl)C(NCc1nnc2n1CCC2)C	EMOLS-id_318523374,MCULE-5915313824	311.21	YJKFDFQEKICUQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069300
Clc1ccc(c(c1)Cl)CNC(c1nnc2n1CCC2)C	PC-id_43433204,EMOLS-id_317961385,MCULE-5884116475	311.21	BFNVRTRZIJMFIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069301
Clc1ccc(c(c1)C(NCc1nnc2n1CCC2)C)Cl	EMOLS-id_318586323,MCULE-5856275650	311.21	AASSCGBFDJOAKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069302
Clc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)Cl	PC-id_103844903,MCULE-4428158987,EMOLS-id_317968530	311.21	AAABDEPZVWDZMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069303
Clc1cccc(c1CNCCc1nnc2n1CCC2)Cl	MCULE-5661542679,PC-id_47029580	311.21	UBTIFTMHFHITTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069304
Clc1cc(CNC(c2n3CCCc3nn2)C)cc(Cl)c1	MCULE-4190640094,PC-id_60789547,EMOLS-id_317966977	311.21	RFRHYSIQOIHEAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069305
Clc1c(CN[C@H](c2n3CCCc3nn2)C)cccc1Cl	PC-id_51683319	311.21	QANVSHUIQXJUNA-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-069306
Clc1c(CN[C@@H](c2n3CCCc3nn2)C)cccc1Cl	PC-id_51683321	311.21	QANVSHUIQXJUNA-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069307
Clc1c(CN[C@H](c2n3CCCc3nn2)C)ccc(Cl)c1	PC-id_51683323	311.21	BFNVRTRZIJMFIZ-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-069308
Clc1c(CN[C@@H](c2n3CCCc3nn2)C)ccc(Cl)c1	PC-id_51683325	311.21	BFNVRTRZIJMFIZ-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069309
BrC(c1sc2c(CCC2)c1)c1ccc(F)cc1	PC-id_63439519	311.212	MGESEKHXWNNTEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069310
Clc1ccc(c(c1)CC(=O)c1sc2c(c1)CCC2)Cl	PC-id_113657491	311.226	PGOAHSDOMFCDKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069311
Clc1ccc(c(c1)Cl)CC(=O)c1sc2c(c1)CCC2	PC-id_114967197	311.226	FLWLRHHTDNFGIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069312
Clc1cc(CC(=O)c2sc3CCCc3c2)ccc1Cl	PC-id_63528395	311.226	WZAMZWAPTQITMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069313
O=C(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)Cl	PC-id_113944790	311.226	KNUVUDJEOXIROZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069314
O=C(c1sc2c(c1)CCC2)Cc1c(Cl)cccc1Cl	PC-id_113656460	311.226	ALKOXNRZYGNSPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069315
OC(=O)c1c(sc2c1CCC2)NC(=O)C(C(F)F)(F)F	PC-id_108052764	311.253	WVNXFRAQJGDPJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069316
c1(C(=O)Nc2ccc(cc2)OC(F)(F)F)c2CCCc2[nH]n1	EMOLS-id_335058615,MCULE-7249001151	311.259	IJAMZSQCSRTTDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069317
c1(C(=O)Nc2cccc(c2)OC(F)(F)F)c2CCCc2[nH]n1	MCULE-8651381812,EMOLS-id_335047096	311.259	HBPREVFREUDDMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069318
O=C(c1cc2n(n1)CCO2)Nc1ccc(cc1)CC(F)(F)F	EMOLS-id_318441955	311.259	HITGGQXJTAPQJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069319
O=C(c1cc2n(n1)CCO2)NCc1cccc(c1)C(F)(F)F	EMOLS-id_318534517	311.259	MFMUBLYSEFEQIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069320
O=C(c1cc2n(n1)CCO2)NC(C(F)(F)F)c1ccccc1	EMOLS-id_318713181	311.259	XNGYHWRZHFLFKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069321
O=C(c1cc(F)c(c(c1F)O)F)NCc1cnc2n1CCC2	EMOLS-id_318940565	311.259	CSPIMVUJQGEBDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069322
O=C(c1cc(F)c(c(c1F)O)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319688748	311.259	MSXFKFZTQXCLGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069323
O=C(c1cnc2n1CCC2)Nc1ccccc1OC(F)(F)F	EMOLS-id_318433941	311.259	MMYXODHRLSKBLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069324
O=C(c1cnc2n1CCC2)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_318588982	311.259	BLRDLVWTLNYZCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069325
O=C(c1cnn2c1CCC2)Nc1ccccc1OC(F)(F)F	EMOLS-id_318393290	311.259	SRUJKMJCSGIMCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069326
O=C(c1cnn2c1CCC2)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_318529511	311.259	PHHVIIFMESUDLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069327
O=C(c1cnn2c1CCC2)Nc1ccc(cc1)OC(F)(F)F	EMOLS-id_318616704	311.259	OHBBWPJVEZTUIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069328
O=C(c1nn2c(c1)CCC2)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_318518980	311.259	OGEVLIJWHDOWEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069329
O=C(c1nn2c(c1)CCC2)Nc1ccc(cc1)OC(F)(F)F	EMOLS-id_318556565	311.259	XBKGFORAEBJACE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069330
O=C(c1nn2c(c1)CCC2)Nc1ccccc1OC(F)(F)F	EMOLS-id_318587353	311.259	MVWVFPOKDJCNPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069331
O=C(c1nn2c(c1)OCC2)Nc1ccccc1CC(F)(F)F	EMOLS-id_318593395	311.259	BZXWZKNIJHHUHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069332
O=C(c1nn2c(c1)OCC2)Nc1cccc(c1)CC(F)(F)F	EMOLS-id_318714326	311.259	BLKOMVYHAAZLCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069333
O=C(c1nn2c(c1)OCC2)NCc1ccc(cc1)C(F)(F)F	EMOLS-id_318537191	311.259	KHMRWDKZKZZHET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069334
O=C(c1nn2c(c1)OCC2)NCc1ccccc1C(F)(F)F	EMOLS-id_318759321	311.259	MTMMRABCZSXNQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069335
O=C(c1occ2c1CCC2)NCc1nccc(n1)C(F)(F)F	EMOLS-id_318543887	311.259	OHHXRBJYVQCUFC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-069336
O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1Cc2c[nH]nc2C1	ZINC22_854581263	311.259	DPJPOBVGFXNKOI-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069337
O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1Cc2c[nH]nc2C1	ZINC22_854581264	311.259	DPJPOBVGFXNKOI-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069338
CC(C1CCCC1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331014579,MCULE-2699789548	311.261	QBDXABOWOKLKTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069339
CC(C1CCCCC1)n1nc2CCC(C)c2c1Br	MCULE-1983833942,EMOLS-id_331019169	311.261	HUIKTFCEMWAVTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069340
s1c2c(CCC2=O)c(Oc2c(F)cc(F)cc2)c1[N+](=O)[O-]	PC-id_16639200	311.261	BNUSRPBIQCKFBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069341
Fc1c(NC(=O)NCc2n3CCCc3nn2)ccc(F)c1F	PC-id_60446210	311.262	RPYBAHOZIQFOHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069342
O=C(C1NCc2c1c[nH]n2)NCc1cnccc1C(F)(F)F	EMOLS-id_319545847	311.262	ASDXHOGQTCGELT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069343
O=C(NCc1nnc2n1CCC2)c1ccc(C(F)(F)F)nc1	ZINC22_40489878,MCULE-5665878490,CoCoCo_4651285,PC-id_45806083,EMOLS-id_31878282	311.262	AMHGNFWPIOJHJO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069344
Clc1cc(C)c(cc1C(c1sc2c(c1)CCC2)Cl)C	PC-id_113319567	311.269	FSAPUAYSSOFZKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069345
ClC(c1sc2c(CCC2)c1)c1c(cc(Cl)c(c1)C)C	PC-id_64211707	311.269	CULGKWXEBYZAFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069346
C1Cn2c(nn(c2=O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])N1	PC-id_135873306	311.274	CIQBHCPBYOJXIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069347
O=C(c1n[nH]c2c1CCC2)NCCS(=O)(=O)C(F)(F)F	EMOLS-id_278439583	311.281	UXONTMSQDRQGOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069348
Cc1ccccc1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324908550	311.282	PEMPTUPVHVEHMJ-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069349
Cc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324910084	311.282	LIIWNXLTFNUDEX-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069350
Cc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324907526	311.282	UKGXEABHRSDSTN-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069351
Cc1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324838638	311.282	DQKHCHMLDBYFBX-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-069352
Cc1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324839150	311.282	JTLMNLRUSHXXPX-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-069353
n12c(=O)c(=Cc3ccc(cc3)C)sc1nc(C(F)(F)F)n2	MCULE-3068818986	311.282	LIIWNXLTFNUDEX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069354
n12c(=O)c(=Cc3ccccc3C)sc1nc(C(F)(F)F)n2	MCULE-8149614304	311.282	PEMPTUPVHVEHMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069355
n12c(=O)c(=Cc3cccc(C)c3)sc1nc(C(F)(F)F)n2	MCULE-9240890301	311.282	UKGXEABHRSDSTN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069356
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)C	MCULE-5095208707	311.282	JTLMNLRUSHXXPX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069357
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)C	MCULE-8119649119	311.282	DQKHCHMLDBYFBX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069358
Fc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)c(n[nH]2)C(=O)O	PC-id_69251861,SCHEMBL4946816	311.289	SWXANBFMORJJLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069359
[Na+].N12C(=O)/C(=C/c3nn4c(c3)CCC4)/[C@H]1SC=C2C(=O)[O-]	CHEMBL124416	311.292	QBQILPJCXWICHS-UHMJSIGJSA-M	00001011100000000001001010000000000000000000000000000000	25-01-069360
CC1(Cn2c(cnc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)O	PC-id_89437208,SCHEMBL14774976	311.294	GBKFDOYYXKSQCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069361
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCNC(C1)C(=O)O	PC-id_89437566	311.294	GZLYLSWFFQLQOG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069362
CC1n2ccnc2OC1(CN1CCN(CC1)C(=O)O)[N+](=O)[O-]	PC-id_141620018	311.294	DUEUZQUZFFZBRU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069363
O1C(CN2CCN(CC2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23080254,SCHEMBL4441674	311.294	RYGVHSSVVGDKKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069364
O1[C@@](CN2CCN(CC2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL4441668,PC-id_69045965	311.294	RYGVHSSVVGDKKI-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069365
O1[C@](CN2CCN(CC2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL4442211,PC-id_69046238	311.294	RYGVHSSVVGDKKI-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069366
OC(=O)C1NCCN(C1)C[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL14775530	311.294	GZLYLSWFFQLQOG-LESKNEHBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069367
OC(=O)[C@@H]1NCCN(C1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL14775529	311.294	GZLYLSWFFQLQOG-SZSXPDSJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069368
OC(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)ncc2[N+](=O)[O-]	SCHEMBL14774975	311.294	GBKFDOYYXKSQCG-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069369
N#Cc1c(N)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)n2c1CCC2	PC-id_45112330,CHEMBL568480	311.295	VJGYSUXOXPHGIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069370
CC1CC(c2n1ccn2)NCc1cccc(c1)OC(F)(F)F	EMOLS-id_318079286,MCULE-1041272906	311.302	REPLEJXOTUALLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069371
CC1CC(c2n1ccn2)NCc1ccc(cc1)OC(F)(F)F	EMOLS-id_318278276,MCULE-6512698907	311.302	BICPMBGNAKFXBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069372
CC1CC(c2n1ccn2)NCc1ccccc1OC(F)(F)F	MCULE-7068632023,EMOLS-id_318284934	311.302	DFWDQWHWIOGRKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069373
Cc1c(cccc1OCC(F)(F)F)NC1CCn2c1ncc2	EMOLS-id_318088509,MCULE-9282064996	311.302	XIACKDOREKOHDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069374
CC(c1nn2c(c1)CCC2)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_318281613,MCULE-1334094865	311.302	XNTAOMKEIXRMTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069375
C[C@@H](c1ccc(cc1)OC(F)(F)F)NC1CCn2c1ncc2	MCULE-2187231071,EMOLS-id_318101654	311.302	LZHHEBUUQXQOIY-NKUHCKNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-069376
COc1ccc(c(c1)C(F)(F)F)CNC1CCn2c1ncc2	EMOLS-id_318202574,MCULE-7386030005	311.302	VNBITXAPKUJOFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069377
COc1cc(ccc1NCc1cnc2n1CCC2)C(F)(F)F	MCULE-9620560733,EMOLS-id_318383038	311.302	NOJXPKIQNGOIRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069378
COc1cc(NCc2cnc3n2CCC3)ccc1C(F)(F)F	MCULE-6396965673,EMOLS-id_318213200	311.302	IVKWGMAJMMDLRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069379
FC(COc1ccccc1CNC1CCn2c1ncc2)(F)F	EMOLS-id_318001048	311.302	OTIBYCJYJBAJFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069380
CC1CC(c2n1ncn2)NCCc1nccc(c1)C(F)(F)F	MCULE-1278416927,EMOLS-id_318510005	311.306	JRVSIQLZBOJCJS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069381
CN(Cc1nnc2n1CCC2)Cc1cccc(n1)C(F)(F)F	MCULE-8204470974,EMOLS-id_320013763	311.306	LDEGLBUKGPDESL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069382
CCOC(=O)C1CCCN(C1)C(=O)c1nn2CCOc2c1F	PC-id_91960119	311.309	SOOPIYFUFIKQDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069383
CCOC(=O)C1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960110	311.309	LCLWKQZKEVOFRM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069384
Cc1onc(N)c1S(=O)(=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_112080116,MCULE-6149691132,ZINC22_408490710,PC-id_136546713	311.317	CMTFKDIHZCDEJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069385
Cn1nc(c(c1)S(=O)(=O)NC(=O)c1nn2c(c1)OCC2)C	EMOLS-id_112048379	311.317	WIRZODGLXUKORY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069386
O=C(c1nn2c(c1)CCC2)NS(=O)(=O)c1c(C)onc1N	EMOLS-id_112080110	311.317	GTTUPOCSOMXIII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069387
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)c1cnn(c1C)C	EMOLS-id_112065589	311.317	QGZPXHCVFAYZLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069388
O=C(c1occc1C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2921876,PC-id_68441753	311.317	XXFTTZUVOVJWLL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-069389
Nc1c(C(=O)c2ccc(C(F)(F)F)cc2)c2c(CCC2)s1	MCULE-8594093347,PC-id_66603519,EMOLS-id_46217838,ZINC22_95347572,SCHEMBL134682	311.322	AJFYMPPLANPKJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069390
O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)CCC2	PC-id_24233736,MCULE-1483332303,EMOLS-id_17165571,ZINC22_12767066,CoCoCo_3260783	311.322	AQBKGFZNWGXCHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069391
s1c2CCCc2cc1CNC(=O)c1cc(F)c(F)c(F)c1	PC-id_63189518	311.322	HJYUKUOFECMTCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069392
s1c2c(CCC2)c(c1N)C(=O)c1cc(ccc1)C(F)(F)F	PC-id_54581557	311.322	AVZVEXLVUYCRII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069393
c1(CNS(=O)(=O)CCC(F)(F)F)c2CCCc2nn1C	MCULE-1183687529,PC-id_91819432,ZINC22_225819378,EMOLS-id_53884733	311.324	PFRUOYCPFVHHLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069394
CCC(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11064139,PC-id_70505563	311.332	AJZKDRKAHUVYNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069395
C=CCOc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	CHEMBL9480,PC-id_13487046	311.332	SMXPHWBFJGPKEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069396
COc1ccc(c(c1F)C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-5363437936,EMOLS-id_316442452	311.332	GDJVSSCYDJZADS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069397
COc1ccc(cc1F)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316458830,MCULE-3431531295	311.332	QQUHHTKWYUDJEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069398
COc1cc(F)ccc1S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-4818497960,EMOLS-id_316420715	311.332	KYOFQXYFSSDSBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069399
COC(=O)[C@H](c1nc2c([nH]1)COC2C)NC(=O)OC(C)(C)C	PC-id_102970390	311.334	RUQRSLKHPDYCAB-MHPPCMCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069400
N#Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)c(F)c1	PC-id_17102704,ZINC22_14258585	311.334	DCDAVIMMGWOJSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069401
O=C(c1sc2c(c1S(=O)(=O)N)OCO2)c1ccccc1	PC-id_69934890,SCHEMBL6911301	311.334	IIQHLONTSIQCJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069402
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCOC)C(=O)[O-]	PC-id_8073839	311.334	UFATXWLBAMKGHW-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-069403
c1(C(=O)c2ccc(c(OC)c2)OC)c(N)c(c2CCCn12)C#N	MCULE-7143467465,EMOLS-id_15321684,ZINC22_12371214,PC-id_16762562,TIMTEC436251	311.335	RUNAWYBXPOCRKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069404
CC(c1nnc2n1CCC2)NS(=O)(=O)c1ncccc1F	PC-id_103299505	311.335	SKFLYYFCNXCOKA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069405
Fc1cccnc1S(=O)(=O)N(Cc1nnc2n1CCC2)C	PC-id_103299633	311.335	NDJJEALGLSKAMQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069406
O=C1CCCN1c1ccc(nc1)NC(=O)c1occ2c1CCC2	EMOLS-id_318582284	311.335	FKZARCHPUCHFDN-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-069407
s1c2CCCc2c(c1NC(=O)c1c(cccc1)C(=O)[O-])C#N	PC-id_6920130	311.335	HSUBIVXNBSPEOR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-069408
O(C(C)(C)C)C(=O)NCCCN1CCn2ncc([N+](=O)[O-])c12	SCHEMBL2521212,PC-id_58465101	311.337	DHRLXGUMUQOKQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069409
S(=O)(=O)(N1Cc2scnc2C1)c1ccc([N+](=O)[O-])cc1	PC-id_71467180	311.337	BYQDYZLYJKZGJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069410
Cc1ccc(o1)c1n[nH]c(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320186004,MCULE-8428343385	311.338	YWUHKCDEOPZVNI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-069411
Cc1ccc(o1)c1n[nH]c(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318856676	311.338	KPTPLRSLXTXGDG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-069412
Cc1ccoc1C(=O)N1Cc2c(Cn3ccnc3)nn(C)c2C1	PC-id_97405309,CHEMBL3554682	311.338	RULRHHJTACNCKH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-069413
Cc1onc(c1)n1c(C)cc(c1C)C(=O)N1CCn2c1ncc2	EMOLS-id_279043954	311.338	ZBSNYXDGNYUHDD-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-069414
C#CCOc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319137103	311.338	LLYNIOOVSPGDPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069415
C#CCOc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319288888	311.338	RJAFTBCRYOWJJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069416
C#CCOc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319407483	311.338	UNFWWDNIINJDAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069417
Cn1cc(c(n1)c1ccco1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318875520	311.338	FIZIJMUXCQDLGV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-069418
Cn1cc(c(n1)c1ccco1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319480134	311.338	MKEBHBIGIZSUFV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-069419
Cn1cc(c(n1)c1cocc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319978711,MCULE-4050065531	311.338	PZOQDANEWOOKNC-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-069420
Cn1ncc(c1)c1ccc(o1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319525289	311.338	JUXJLYRLAACEON-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-069421
N#Cc1ccc(c(c1)NC(=O)N1CCn2c1ncc2)OC(C)C	EMOLS-id_316636246	311.338	KQRFRTKZDVMBGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069422
N#Cc1cc(N(C)C)c(cc1NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_101829675	311.338	MPRKQEYWIQJRTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069423
Oc1cccc(c1)c1noc(n1)CNCc1cnn2c1CCC2	MCULE-2615575727,EMOLS-id_320292899	311.338	OYZQPFYKKPRBNF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069424
O=C1CCC(N1)c1ccccc1NC(=O)N1CCn2c1ncc2	EMOLS-id_257968687	311.338	ILXBXXVWRKNMFT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069425
O=C1CCC(N1)c1cccc(c1)NC(=O)N1CCn2c1ncc2	EMOLS-id_320272363,MCULE-6695256485	311.338	SWHCNLRBDOSVDB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069426
O=C1Nc2nccn2C2(C1)CN(C2)C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320169059,MCULE-3407554754	311.338	KQFGIHSSYGFDFI-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-069427
O=C1NCCN1c1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98172464	311.338	HLFLAPBGYIWWSR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069428
O=C(c1ccc(o1)Cn1cccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_318840147	311.338	QBTRJNFXVKEMGE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-069429
O=C(C1NCc2c1c[nH]n2)N1CCN(C(=O)C1)c1ccccc1	EMOLS-id_319096467	311.338	IRPAGLFSOBOFKN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069430
O=C(C1NCc2c1c[nH]n2)Nc1ccc(cc1)C(=O)NC1CC1	EMOLS-id_319129144	311.338	UIKYUDAGIDUFOD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069431
OCCn1ncc2c1CN(Cc1nnc(c3ccccc3)o1)C2	EMOLS-id_55678387,PC-id_91839320,MCULE-3216162523,ZINC22_244795126	311.338	QZZHDZLPPZBZSE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069432
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)C1CC1)Nc1ccccc1	PC-id_68441162,SCHEMBL2920051	311.338	YWCOFTBWDCSXSB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069433
O=C(N1CCn2c1ncc2)Nc1cccc(c1)N1CCCC1=O	MCULE-4786893293,EMOLS-id_319892063	311.338	JLCVOBUKKYWPOK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069434
O=C(N1CCn2c1ncc2)Nc1ccccc1N1CCCC1=O	MCULE-5745319201,EMOLS-id_320011380	311.338	KFQWQXBRWATYIR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069435
O=C(Nc1cccc(c1)C(=O)N1CCn2c1ncc2)NC1CC1	EMOLS-id_258164404	311.338	JETCJBANCGFVTH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069436
c1(C(=O)NCc2nnc3CCCn23)[nH]nc(c2cccn2C)c1	MCULE-4158316641,EMOLS-id_44730500,PC-id_70757801,ZINC22_91746518	311.342	IXCDWGIJDMGOFS-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-069437
Cn1cc(c(n1)c1ccnn1C)NC(=O)c1cnc2n1CCC2	EMOLS-id_320124448,MCULE-9360727557	311.342	LOGLEVYWDUHBDN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-069438
C[C@H](Nc1cc(n2cccn2)nc(N)n1)c1nnc2n1CCC2	PC-id_97827190,ZINC22_97115238	311.345	FSPDMJREQONHGT-VIFPVBQESA-N	00000010100000100001100010000000000000000000000000000000	25-01-069439
C[C@@H](Nc1cc(n2cccn2)nc(N)n1)c1nnc2n1CCC2	PC-id_97827191,ZINC22_97115239	311.345	FSPDMJREQONHGT-SECBINFHSA-N	00000010100000100001100010000000000000000000000000000000	25-01-069440
n12CCCc1nnc2C(Nc1nc(nc(n2nccc2)c1)N)C	MCULE-4881575890,PC-id_75522210,EMOLS-id_49350771	311.345	FSPDMJREQONHGT-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-069441
O=C(c1sc2c(c1)CCC2)NCC(n1cccn1)C(F)F	EMOLS-id_319580907	311.35	KQPOVHJSNOKKHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069442
c12CCCc1c(C(=O)OCC)c(NC(=O)CC(=O)OC)s2	PC-id_28637900,EMOLS-id_22040642,MCULE-2990032763	311.353	PPBLBPFMBMAQEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069443
c12CCCc1c(C(=O)OCC)c(NC(=O)COC(=O)C)s2	MCULE-6937300634,EMOLS-id_19361698,PC-id_24361780	311.353	ZQAKCYIXPWOHKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069444
c12CCCc1c(C(=O)OCC)c(NC(=O)C(=O)OCC)s2	PC-id_46094727,EMOLS-id_25507588,MCULE-1231454533	311.353	FUELHRYICJMQSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069445
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CC)C(=O)OC	EMOLS-id_654408,PC-id_2789201,MCULE-7987654106,ChEMBL-DNDi_CHEMBL3232-1831,STOCK2S-57409,BAS-02140518	311.353	MDLPUSVEFZJCSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069446
c1(NC(=O)CCCC(=O)O)sc2c(CCC2)c1C(=O)OC	MCULE-7545592303,CHEMBL1465771,ChEMBL-DNDi_CHEMBL6048-0345,PC-id_4322755,EMOLS-id_2575660,CoCoCo_6803287,ZINC22_3634132,ChEMBL-DNDi_CHEMBL1465771	311.353	GWMTWDVPECKOSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069447
c1(NC(=O)CCC(=O)O)sc2c(CCC2)c1C(=O)OCC	ZINC22_3667959,MCULE-5849562941,PC-id_3511157,SPECS-id_AT-084/J158701,CoCoCo_1842636,SPECS-id_AN-153/I120931,ChEMBL-DNDi_CHEMBL5829-3265,EMOLS-id_2575049	311.353	YSOYOJOVFAWJCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069448
c1(NC(=O)CC(=O)OCC)sc2c(CCC2)c1C(=O)OC	MCULE-7751153325,CoCoCo_2678272,PC-id_17097480,EMOLS-id_2711882	311.353	YNPFYUKKJSMRGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069449
CCC(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2	PC-id_7081653,CoCoCo_236407,ZINC22_4038449	311.353	MDLPUSVEFZJCSV-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069450
CCC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](C(=O)OC)CC2	ZINC22_4038448,PC-id_7081654,CoCoCo_236406	311.353	MDLPUSVEFZJCSV-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069451
CCOC(=O)c1c(NC(=O)C(C(=O)O)C)sc2c1CCC2	PC-id_114897087	311.353	YNCVEKAGMHPEDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069452
COC(=O)CC[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_107820161	311.353	UBUOYJSTXHOEPD-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-069453
COC(=O)CC[C@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_107820570	311.353	UBUOYJSTXHOEPD-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069454
COC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_6385435,PC-id_24133347	311.353	QUEWEUPLMACXPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069455
OC(=O)CCC[C@H](C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_107831291	311.353	JQWLPDXDNMBJLN-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069456
s1c2CCCc2cc1C(=O)NC(CCC(=O)OC)C(=O)O	PC-id_82780279	311.353	UBUOYJSTXHOEPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069457
s1c2CCCc2cc1C(=O)N(CC(=O)OC)CC(=O)OC	PC-id_62952797	311.353	BICPBCPXIVDRQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069458
s1c2c(CCC2)c(c1NC(=O)CCC(=O)OCC)C(=O)O	PC-id_43359885	311.353	MPCIITQKEAUBSM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069459
OC(=O)C1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_19759890,SCHEMBL9458921	311.355	DRQLJKSYTZEXOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069460
OC(=O)[C@@]1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9471754,PC-id_18652233	311.355	DRQLJKSYTZEXOA-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069461
c1(NC(=O)C(=O)NCC(C)O)sc2c(CCC2)c1C(=O)N	EMOLS-id_4743045,STOCK6S-12297,MCULE-2596269469,PC-id_17584126	311.357	IWWJXRIPAZFGJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069462
c1(NC(=O)C(=O)NCCCO)sc2c(CCC2)c1C(=O)N	STOCK6S-12583,EMOLS-id_4743485,MCULE-2261047462,ZINC22_6756229,PC-id_8069988,CoCoCo_6533815	311.357	YZDFWEKCWFUIGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069463
c1(NC(=O)C(=O)NCCN)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4753515,MCULE-2859844238,ZINC22_6764424,PC-id_8073691,STOCK6S-19031	311.357	LSRISBMQXAEJCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069464
c1(NC(=O)C(=O)NCCOC)sc2c(CCC2)c1C(=O)N	STOCK6S-08477,MCULE-1771227975,PC-id_8034641,CoCoCo_1098617,ZINC22_6669523,EMOLS-id_4737376	311.357	LYMDOOXGPQRTTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069465
C[C@H](O)CNC(=O)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_8069842,CoCoCo_6533821,ZINC22_6755724	311.357	IWWJXRIPAZFGJQ-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-069466
C[C@@H](O)CNC(=O)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_6755728,PC-id_8069843,CoCoCo_6533820	311.357	IWWJXRIPAZFGJQ-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069467
OC(=O)COC1(C)CN(C1)C(=O)Nc1sc2c(n1)CCC2	PC-id_102658738	311.357	FBDDLJKPVWQMGE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-069468
s1c2c(CCC2)c(c1NC(=O)C(N)CC(=O)N)C(=O)OC	PC-id_61253466	311.357	SHOWZYMKONJWCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069469
s1c2c(CCC2)c(c1NC(=O)CNC(=O)CN)C(=O)OC	PC-id_61253273	311.357	VWHUYIRZNLRODB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069470
s1c2CCCc2nc1NC(=O)N1C(CC(OC)C1)C(=O)O	PC-id_61510127	311.357	WMTPAZVBYFIHEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069471
s1c2CCCc2nc1NC(=O)N1CC(OCC1)CC(=O)O	PC-id_66433904	311.357	FMSMDCJRPHAUDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069472
s1c2CCCc2nc1NC(=O)N1C(COCC1)CC(=O)O	PC-id_80416521	311.357	HLVNHYXNZJPDQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069473
s1c2CCCc2nc1NC(=O)NC1C(COC1)(C)C(=O)O	PC-id_66248591	311.357	KAXATUSEPCWPSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069474
s1c2CCCc2nc1NC(=O)N(C1C(COC1)C(=O)O)C	PC-id_66267112	311.357	NHMOXASDDPEZBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069475
s1c2CCCc2nc1NC(=O)NCC1OC(CC1)C(=O)O	PC-id_80002630	311.357	ZPGMKDHRICBDOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069476
s1c2CCCc2nc1NC(=O)NC(=O)CCCCC(=O)O	PC-id_61511648	311.357	ZMGHDFLXQVROIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069477
s1c2CCCc2nc1NC(=O)NC(=O)CC(C)(C)C(=O)O	PC-id_65299843	311.357	KTGSGMVPZFZKSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069478
s1c2CCCc2nc1NC(=O)NC(=O)CC(CC(=O)O)C	PC-id_62963977	311.357	SOVKETMSUBIFEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069479
N#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	EMOLS-id_3229366,PC-id_1548497,CoCoCo_3218613,MCULE-7051172144,ZINC22_1514849	311.358	KTPIXBKGTXWTIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069480
N#Cc1c(NC(=O)NC(=O)c2ccccc2)sc2c1CCC2	PC-id_67399887,SCHEMBL2416715	311.358	LPTUMNCMBIBOHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069481
O=C(Nc1cccc(c2nnco2)c1)c1cc2c(s1)CCC2	EMOLS-id_27405338,PC-id_32053844,MCULE-9499282768,ZINC22_24736702,CoCoCo_4799037	311.358	KWFHLBGFNQIKNV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069482
O=C(Nc1nc2c(s1)CCC2)c1cc(c2ccccc2)on1	MCULE-4325841850,EMOLS-id_43997877,PC-id_47014230,ZINC22_53177098	311.358	LTVVTPKDQVZIMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069483
O=C(Nc1nc2c(s1)CCC2)c1ccc(c2cnco2)cc1	MCULE-2046621878,ZINC22_47828267,EMOLS-id_33308992,PC-id_51085671	311.358	DJIWXNSSOJWVID-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069484
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C#N	PC-id_26872763	311.358	AHJPKXMJZLNVET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069485
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(ccc1)C#N	PC-id_29763737	311.358	WIJVCARUPIMZLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069486
S1Cc2c(noc2NC(=O)c2ccc(n3cccc3)cc2)C1	PC-id_49720033	311.358	JEOUUIRUADUIKX-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-069487
Cc1noc(C)c1S(=O)(=O)NCC1Cc2nnc(C)n2C1	MCULE-8242689420,EMOLS-id_317889757,PC-id_138807594	311.36	ZNZDGCHRNQFUQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069488
Cc1noc(C)c1S(=O)(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1775980362	311.36	ZNZDGCHRNQFUQU-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-069489
Cc1noc(C)c1S(=O)(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1775980363	311.36	ZNZDGCHRNQFUQU-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069490
Cc1onc(n1)C(NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100203186	311.36	XUTMXLDMWUUKLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069491
NC(=S)c1ccc(c(c1F)F)Nc1sc2c(n1)CCC2	PC-id_107934723	311.373	BWYJQJOYWXMUJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069534
CC(c1nnc2n1CCC2)NS(=O)(=O)c1c(C)noc1C	EMOLS-id_98765472	311.36	UBMYZHGJTLJJQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069492
CC(Cc1nnc(o1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101159363	311.36	XMPAQVZVVLZSRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069493
CN(Cc1oc2c(n1)CN(C2)S(=O)(=O)c1ncn(c1)C)C	PC-id_97406061	311.36	CXUKSSPHKGQSPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069494
COCCn1ccc(n1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100972165	311.36	RCFMUJDCHYYAQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069495
COCCn1ncc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100967851	311.36	IIOGMUXOWGEVGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069496
COCn1nc(c(c1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C	EMOLS-id_318099889	311.36	GGEYBWNNEVEACF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069497
COCn1nc(c(c1C)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_319778236	311.36	AWPRTBZBOVHJBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069498
O=S(=O)(c1cnc2n1CCC2)Nc1noc(n1)C(C)(C)C	EMOLS-id_97705409	311.36	BRABICHRIYHPHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069499
S(=O)(=O)(N)c1oc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_65578246	311.36	ACRAIPNXTVZHOW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-069500
c1(C(=O)/N=c/2scc(c3ccccn3)[nH]2)c2CCCc2[nH]n1	EMOLS-id_44753606,ZINC22_95478874,MCULE-2939010440,STOCK7S-36654,EMOLS-id_49408392,PC-id_71708065	311.362	UWMZTUGAPHNZOS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069501
c1(C(=O)/N=c/2scc(c3cccnc3)[nH]2)c2CCCc2[nH]n1	EMOLS-id_44758001,EMOLS-id_49407893,ZINC22_95478365,MCULE-9305121848,STOCK7S-39033,PC-id_71707533	311.362	DEOLXYFWAKSLAS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069502
c1(C(=O)/N=c/2scc(c3ccncc3)[nH]2)c2CCCc2[nH]n1	STOCK7S-41472,PC-id_71708284,ZINC22_95479056,MCULE-3950926384,EMOLS-id_49408581,EMOLS-id_48564974	311.362	LNNICJBENLMLOG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069503
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2cccnc2)c1	MCULE-9102122967,EMOLS-id_323235025	311.362	FKIYPADLHRFJJW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069504
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2ccncc2)c1	EMOLS-id_323237853,MCULE-2103530927	311.362	LNRQQPMTGOIORS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069505
N#Cc1c(NC(=O)c2ccnc(c2)C2CC2)nc2n1CCS2	EMOLS-id_99305087	311.362	AWXNPGSCFIWORB-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-069506
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)n1cnnn1	EMOLS-id_257846189,MCULE-7609658294,PC-id_8894044	311.362	WVSHSAAMXOPGIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069507
O=C(Nc1ccc(c2nnn[nH]2)cc1)c1cc2c(s1)CCC2	EMOLS-id_177255361,ZINC22_121141627,MCULE-1220036168	311.362	WKEYVVBOXIYFKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069508
O=C(Nc1cccc(c2nnn[nH]2)c1)c1cc2c(s1)CCC2	ZINC22_121576916,EMOLS-id_177212993,MCULE-2750818527	311.362	QVWJXLSNOQESPI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069509
O=C(Nc1ccc(n2cnnn2)cc1)c1cc2c(s1)CCC2	MCULE-1660534591,PC-id_17409735,CoCoCo_3182215,EMOLS-id_11926114,ZINC22_12700907	311.362	KTYSTEASXTZAEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069510
O=C(Nc1nc2c(s1)CCC2)c1cccc(n2ccnc2)n1	MCULE-3705812685,PC-id_75453931,ZINC22_96008223,EMOLS-id_48828190	311.362	UBSAIYXMZHDGCY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069511
O=C(Nc1nc2c(s1)CCC2)c1cn(c2ccccc2)nn1	PC-id_36198158,ZINC22_29023898,EMOLS-id_30697086,MCULE-4310416182	311.362	VHPNFTYENGEGGL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069512
O/C(=Nc1nc(c2ccccn2)n[nH]1)/c1cc2c(s1)CCC2	PC-id_51096870,MCULE-8595509362,ZINC22_58404048,EMOLS-id_33316595	311.362	NUAOBSYFCAYWSE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069513
s1c2CCCc2nc1NC(=O)c1ccc(n2ncnc2)cc1	PC-id_33040070	311.362	QNFREVMWCBODBR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069514
s1c2CCCc2nc1NC(=O)c1nn(nc1)c1ccccc1	PC-id_51233104	311.362	UACVJZVEDOCCAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069515
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1cn(nc1N)C	PC-id_61114577	311.363	UZFZXACXEMGHLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069516
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1n(cnc1N)C	PC-id_63978702	311.363	UEZRPGJXZHJKDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069517
Cc1cc(ccc1C(c1sc2c(c1)CCC2)N)C(F)(F)F	PC-id_102757726	311.365	HUOUZMTYUJLKAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069518
CCNC(c1ccc(c(c1F)F)F)c1sc2c(c1)CCC2	PC-id_115855338	311.365	QLNQGJBNIWNENG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069519
CCNC(c1cc(F)c(cc1F)F)c1sc2c(c1)CCC2	PC-id_103302499	311.365	OSDRCOJEIBNRPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069520
CNC(c1ccccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_115853789	311.365	LIBDQMNVLMRCGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069521
CNC(c1sc2c(c1)CCC2)c1cccc(c1)C(F)(F)F	PC-id_115850594	311.365	QNLAUGOBFPCPTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069522
CNC(c1sc2c(c1)CCC2)c1ccc(cc1)C(F)(F)F	PC-id_115852095	311.365	UQSUCCOVERODIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069523
NC(c1sc2c(c1)CCC2)Cc1cccc(c1)C(F)(F)F	PC-id_115830787	311.365	SAIUQJUUMLQNFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069524
s1c2c(CCC2)cc1CNCc1c(cccc1)C(F)(F)F	PC-id_61209126	311.365	ILBQWRSIIJIZKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069525
s1c2c(CCC2)cc1CNCc1cc(ccc1)C(F)(F)F	PC-id_61209313	311.365	ZMCUKBZPGOOJBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069526
s1c2c(CCC2)cc1CNCc1ccc(cc1)C(F)(F)F	PC-id_61209503	311.365	OTLJJDBJNRCVMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069527
s1c2c(CCC2)cc1C(N)Cc1ccc(cc1)C(F)(F)F	PC-id_62115759	311.365	ZNSVRJBDRZPRLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069528
s1c2c(CCC2)cc1CNC(c1ccccc1)C(F)(F)F	PC-id_64124043	311.365	NZHUTRKAUHMWFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069529
s1c2c(CCC2)cc1C(NCC)c1c(F)cc(F)cc1F	PC-id_43490345	311.365	BWGZVOPLBKJWAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069530
c1(C(F)F)c2CCCc2n(CC(=O)NC2CCCCCC2)n1	PC-id_19591191,TIMTEC37475,EMOLS-id_8867920,ZINC22_36614152,MCULE-8925818244	311.37	AGLUEWPOVHQBAR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-069531
CCC1(CCC(CC1)(F)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319082470	311.37	ROQVRVQNYTUHGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069532
CO[C@@H]([C@](C(=O)OCc1ccn2c1[C@@H](O)CC2)(C(C)C)O)C	PC-id_101698023	311.373	KYSOVPPHGLNVRV-FFSVYQOJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069533
O(Cc1c2n(CCC2O)cc1)C(=O)C(O)(C(C)C)C(OC)C	PC-id_53461493	311.373	KYSOVPPHGLNVRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069535
O(Cc1c2n(CC[C@@H]2O)cc1)C(=O)C(O)(C(C)C)C(OC)C	PC-id_31646	311.373	KYSOVPPHGLNVRV-ULKWEWGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069536
s1c2CCCc2nc1Nc1c(F)cc(cc1F)C(=S)N	PC-id_81285308	311.373	SLSHXBBRWQMDCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069537
Cc1oc(c2c1C(=O)N(C2=O)CCCCCc1ccccc1)C	PC-id_117998388,SCHEMBL16623383	311.375	SZLXBKKPXDZOQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069538
CC(Cc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)C	PC-id_139746962	311.375	WFMSCYYKFMHMKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069539
CCCc1ccccc1C(=O)c1c(C)cc2n1CCC2C(=O)O	SCHEMBL11600799,PC-id_20351616	311.375	MTAAVWVBHQNYBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069540
CCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccccc1C	PC-id_53814074,SCHEMBL7678014	311.375	FRCICYBYLDSJMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069541
CCCCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	SCHEMBL11006826,PC-id_20405069	311.375	DOBLLRYUDCWUDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069542
CCCCc1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_20351652,SCHEMBL11605122	311.375	QKOKYEWJXITBBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069543
CCCCOC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_102304603	311.375	OBQFPYGIWUPAKT-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069544
CCCn1c(cc2c1C(CC)C(=O)O2)C(=O)c1ccc(cc1)C	SCHEMBL7678670,PC-id_9796755	311.375	OCTMXKKSSPENDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069545
CC(COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_141824644	311.375	MYBNJEHGLHPUFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069546
CCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C	SCHEMBL11603798,PC-id_20351574	311.375	BHFHGAWQJURUPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069547
CC(COC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_102304610	311.375	MYBNJEHGLHPUFW-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069548
CC(OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)C)C	PC-id_13486972,SCHEMBL11603872	311.375	QQDKOBFQBRHUGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069549
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)C)C	PC-id_13780957,SCHEMBL11603734	311.375	HBPWKWSPCBPTSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069550
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1C)C	SCHEMBL11601642,PC-id_13486971	311.375	GNWZTIWTULYFKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069551
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C)C	SCHEMBL9382588,PC-id_13486973	311.375	WHEKAHHSTWMPOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069552
CC(OC(=O)C)CC1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL10926930,PC-id_70474941	311.375	DGEKHZGEBLQNMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069553
O1CC(CC1)c1cc(CC2CCc3[nH]c(cc23)C(=O)O)ccc1	PC-id_59180049,SCHEMBL1004643	311.375	BHQVSUMQLPMQFQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-069554
O1C(OCC1)(CC1CCn2c1ccc2C(=O)c1ccccc1)C	SCHEMBL10926356,PC-id_70474801	311.375	XLGPJGGLWMFXKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069555
O=C(c1c2c(n(c1CC(=O)OC)Cc1ccccc1)CCC2)C	PC-id_9972741	311.375	DUTLYDMSVFJBGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069556
OCC1(CCN(C1)C(=O)c1occ2c1CCC2)c1ccccc1	EMOLS-id_318141556	311.375	QOHGOLPPMDTBMC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-069557
O=C(c1occ2c1CCC2)NC1CCOC(C1)c1ccccc1	EMOLS-id_318260413	311.375	MMAAUBDRZJMLPA-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-069558
O[C@@H]1CN(C[C@H]1Cc1ccccc1)C(=O)c1occ2c1CCC2	EMOLS-id_318654860	311.375	VPDZCJSCROUANC-NVXWUHKLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069559
O=C(NC1(c2ccccc2)CCOCC1)c1occ2c1CCC2	EMOLS-id_320319999,MCULE-6305353761,PC-id_138997342,ZINC22_671721250	311.375	YGECWHUPVPAVSJ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-069560
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C(C)(C)C	PC-id_11609294	311.375	UNSQDXKIQXBZLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069561
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C(C)(C)C	PC-id_139746958	311.375	PCCSVNAPLBXILF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069562
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCCC	PC-id_85796109	311.375	OBQFPYGIWUPAKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069563
OC(=O)C1CCn2c1ccc2C(=O)c1c(CCCC)cccc1	PC-id_20351604	311.375	VTDNBHZYSFCTFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069564
OC(=O)C1CCn2c1ccc2C(=O)CCCCc1ccccc1	PC-id_85749641	311.375	DSNOHDZEINRBRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069565
NS(=O)(=O)c1c(CCc2ccccc2)sc2c1OCO2	SCHEMBL6911268,PC-id_69934880	311.377	GBDVULDBXSEWBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069566
NS(=O)(=O)c1sc2c(c1CCc1ccccc1)OCO2	PC-id_69933591,SCHEMBL6906116	311.377	NZYRXJLIZCPCCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069567
O=C(c1occ2c1CCC2)Nc1sccc1S(=O)(=O)C	EMOLS-id_318478817	311.377	JNCKRZZJCUBTOX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-069568
O=S(=O)(c1scc2c1OCO2)NCCc1ccccc1	PC-id_69933589,SCHEMBL6906113	311.377	VPQPFOOUWFSRRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069569
S1(=O)(=O)Cc2c(C1)cn(S(=O)(=O)c1ccc(cc1)C)c2	PC-id_11833901	311.377	YPJQXXHRBFGOLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069570
c12CN(Cc1nn(CC1CC1)c2C(=O)OC)Cc1ccccc1	EMOLS-id_324342637,MCULE-4270384251	311.378	YHBFMWMYMKJXRM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069571
c12CN(Cc1nn(CC1CCC1)c2C(=O)O)Cc1ccccc1	MCULE-1487830368,EMOLS-id_324343657	311.378	HRYUMOFBEXYTAI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-069572
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1ccccc1OC	EMOLS-id_49893783,MCULE-9612022806,PC-id_77094307	311.378	JARZCOMARKHBKL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069573
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@H]([C@H](O)C1)c1ccccc1	ZINC22_2356157844,MCULE-1579780082,EMOLS-id_337822294	311.378	TTYREQYJQJHOIJ-XJKSGUPXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069574
C1CC(CN(C1)C(=O)c1n[nH]c2c1CCC2)Oc1ccccc1	PC-id_86777614,EMOLS-id_49908665,MCULE-3366222620	311.378	DRFJCHISAXQZJK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069575
C1CN(CCC1Cc1ccccc1)C(=O)c1nn2CCOc2c1	PC-id_91959893	311.378	PSKCKEYIAIYLHJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069576
c1(C(=O)N2CCOC(c3ccccc3)C2)c2CCCc2n(C)n1	EMOLS-id_320479243,PC-id_84467384,MCULE-5964754550	311.378	RQQPZWYKDCQTQW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069577
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(c2)OC2CC2)n1	EMOLS-id_331037958,MCULE-9502858615	311.378	CIYUGURBABYCLB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069578
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(c1)OC1CC1	EMOLS-id_331019952,MCULE-7348675621	311.378	JIFHFITZEGXXMR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069579
Cc1cccc(c1)C1(CCCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318475166	311.378	WEGSKXLUKIDMIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069580
Cc1ccc(cc1)C1CCCC1NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318536457	311.378	ZZXCDRYRBIEMJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069581
Cc1c(nc2n1CC(O2)COc1ccc(cc1)C(C)(C)C)C#N	PC-id_86342409	311.378	DICRAXRBSUIIHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069582
CC1CN(CC(O1)c1ccccc1)C(=O)c1n[nH]c2c1CCC2	PC-id_71885611,MCULE-6504111055,EMOLS-id_45756091	311.378	DLRVHPANPOSZRV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069583
CC1COC(CN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_48997778,MCULE-4397782586,PC-id_84583529	311.378	HOUPTSRGTWVQAW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069584
CC1OCC(N(C1)C(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_71926185,EMOLS-id_45656271,MCULE-4346955862	311.378	XYRTWGZTCYRCJJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069585
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](c2ccccc2)O1	PC-id_97093211,ZINC22_89936901	311.378	DLRVHPANPOSZRV-BLLLJJGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069586
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](c2ccccc2)O1	PC-id_97093213,ZINC22_89936904	311.378	DLRVHPANPOSZRV-LRDDRELGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069587
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](c2ccccc2)O1	ZINC22_89936899,PC-id_97093210	311.378	DLRVHPANPOSZRV-MLGOLLRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069588
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](c2ccccc2)O1	ZINC22_89936903,PC-id_97093212	311.378	DLRVHPANPOSZRV-WBMJQRKESA-N	00000010100010110001100010000000000000000000000000000000	25-01-069589
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](c2ccccc2)CO1	PC-id_97092712,ZINC22_89930151	311.378	XYRTWGZTCYRCJJ-LRDDRELGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069590
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](c2ccccc2)CO1	PC-id_97092714,ZINC22_89930153	311.378	XYRTWGZTCYRCJJ-BLLLJJGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069591
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](c2ccccc2)CO1	ZINC22_89930150,PC-id_97092711	311.378	XYRTWGZTCYRCJJ-WBMJQRKESA-N	00000010100010110001100010000000000000000000000000000000	25-01-069592
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](c2ccccc2)CO1	ZINC22_89930152,PC-id_97092713	311.378	XYRTWGZTCYRCJJ-MLGOLLRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069593
C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2	PC-id_97184796,ZINC22_95348553	311.378	HOUPTSRGTWVQAW-WBMJQRKESA-N	00000010100010110001100010000000000000000000000000000000	25-01-069594
C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2	PC-id_97184797,ZINC22_95348554	311.378	HOUPTSRGTWVQAW-LRDDRELGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069595
C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2	PC-id_97184798,ZINC22_95348555	311.378	HOUPTSRGTWVQAW-MLGOLLRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069596
C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2	ZINC22_95348556,PC-id_97184799	311.378	HOUPTSRGTWVQAW-BLLLJJGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069597
COc1ccc(cc1C1CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320199486,MCULE-7488649958	311.378	CBVIGEIJMGIDSL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069598
COc1ccc(cc1C1CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319713801	311.378	YAKZGWPYGZEHDQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069599
COc1cccc(c1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318575348	311.378	SVTQAGCWEXMMMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069600
COc1ccc(cc1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318742784	311.378	FDZFBBRJNHZPPR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069601
COc1ccccc1C1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318524715	311.378	HQUNVVWSAWIZGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069602
COc1ccc(cc1)C1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318743939	311.378	ZTYZAJKZFQVSFO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069603
COc1ccccc1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_99948497,ZINC22_216216590	311.378	JARZCOMARKHBKL-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069604
COc1ccccc1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_99948498,ZINC22_216216633	311.378	JARZCOMARKHBKL-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069605
COc1cccc(c1)[C@@H]1C[C@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319780605	311.378	GFWBQIGSRKYSHJ-JKSUJKDBSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069606
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319969833,MCULE-9747325733	311.378	YHWXOMMFIOBXCA-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069607
COc1ccc(cc1)[C@@H]1C[C@H]1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320081441,MCULE-6119758282	311.378	NGRKEYRFTUMTRV-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069608
Oc1ccc(cc1)CC1(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319452876	311.378	DTVJVUIUGJHOLK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069609
O=C(c1cc2n(n1)CCO2)NC1CCC(CC1)c1ccccc1	EMOLS-id_318535196	311.378	DDMZMDJHXVICPN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069610
O=C(c1cccc(c1)C1COCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318494642	311.378	HAQKVMQHQVFGTM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069611
O=C(c1cccc(c1)C1COCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_318762749	311.378	GZRMHVIPITWGIS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069612
O=C(c1cccc(c1)C1COCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319757389	311.378	JHDJBVAPRKPVFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069613
O=C(c1ccccc1OC1CCC1)NCc1cnc2n1CCC2	EMOLS-id_320068269,MCULE-3205660263	311.378	XLYGJRLPIVYHNC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-069614
O=C(c1ccc(cc1)OC1CCC1)NCc1cnc2n1CCC2	EMOLS-id_320083588,MCULE-7213821229	311.378	OCWOKCDOJWVOPA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-069615
O=C(c1ccc(cc1)OC1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319463765	311.378	CYENNTZHOGXSCE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-069616
O=C(C1(CCCO1)c1ccccc1)NCc1cnc2n1CCC2	MCULE-6041662025,EMOLS-id_319945567	311.378	ZHYDYEOQEFRWOE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069617
O=C(C1(CCCO1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319361619	311.378	HSXIRQKFNLCECL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069618
O=C(C1(CCOCC1)c1ccc(cc1)C)N1CCn2c1ccn2	EMOLS-id_318129863	311.378	DPCUBIWLWBUJSF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069619
O=C(C1(CCOCC1)Cc1ccccc1)N1CCn2c1ccn2	EMOLS-id_318357301	311.378	XSFJDFLFXOMLSW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069620
O=C(c1cnc2n1CCC2)N1CCCOC(C1)c1ccccc1	EMOLS-id_318270842	311.378	ZJKQQNSZTIFQFX-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-069621
O=C(c1cnc2n1CCC2)NC1(CCOCC1)c1ccccc1	EMOLS-id_318164690	311.378	XUYRZWSGKNRXRI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069622
O=C(c1cnc2n1CCC2)NC1CCOC(C1)c1ccccc1	EMOLS-id_318315366	311.378	IFWORZKAMXQHDJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069623
O=C(c1cnn2c1CCC2)NC1CCOC(C1)c1ccccc1	EMOLS-id_318313788	311.378	QYMNWBBQURFIEU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069624
O=C(c1cnn2c1CCC2)NC1(CCOCC1)c1ccccc1	EMOLS-id_318315325	311.378	JPPKTHDFFYVMSQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069625
O=C(c1nn2c(c1)CCC2)NC1(CCOCC1)c1ccccc1	EMOLS-id_318167434	311.378	MDRUDDNLAUQIKD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069626
O=C(c1nn2c(c1)CCC2)NC1CCOC(C1)c1ccccc1	EMOLS-id_318183834	311.378	DPCLTIDYXVUBGD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069627
O=C(c1nn2c(c1)OCC2)NC1CCCC(C1)c1ccccc1	EMOLS-id_318503830	311.378	QJHMBXZRSKYHPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069628
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1COc1ccccc1	EMOLS-id_101300931	311.378	RMKWOZVCIUQFED-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069629
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](Oc2ccccc2)C1	PC-id_97852687,ZINC22_97212496	311.378	DRFJCHISAXQZJK-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069630
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](Oc2ccccc2)C1	ZINC22_97212497,PC-id_97852688	311.378	DRFJCHISAXQZJK-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069631
O=C(c1n[nH]c2c1CCC2)N1CCC(Oc2ccccc2)CC1	ZINC22_97681364,MCULE-6365448489,EMOLS-id_316856416	311.378	FEADHQNTTOSHNZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069632
O=C(c1n[nH]c2c1CCC2)Nc1cccc(c1)OC1CCCC1	EMOLS-id_98028796	311.378	YIOMTEYNHNMSOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069633
O=C(c1n[nH]c2c1CCC2)Nc1ccc(cc1)OC1CCCC1	EMOLS-id_98069097	311.378	NPKMBALEPNJCIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069634
O=C(c1n[nH]c2c1CCC2)NCC1(CC1)C(c1ccccc1)O	PC-id_138992327,EMOLS-id_320328158,MCULE-6591892490	311.378	MLVKIGDBDVXXNP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069635
O=C(c1n[nH]c2c1CCC2)NC[C@H]1CCO[C@@H]1c1ccccc1	MCULE-5357120724,EMOLS-id_112037310	311.378	VHCYAWBKKQJFJJ-CXAGYDPISA-N	00000010100000110001100010000000000000000000000000000000	25-01-069636
O=C(c1oc2c(n1)CN(C2)CC1CC1)NCCc1ccccc1	PC-id_97525770	311.378	WXCJYHFIANKKOK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069637
O=C(c1occ2c1CCC2)N1CCC(CC1)Nc1ccccn1	EMOLS-id_318485283	311.378	WLXVRBKJYGBVIT-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-069638
O=C(c1occ2c1CCC2)NC1CCN(CC1)c1ccncc1	EMOLS-id_318732102	311.378	CJLZAABMOPOITB-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-069639
O=C([C@@H]1CCO[C@H]1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318669957	311.378	HRZPNYFWIRGPRF-UHDQLFAASA-N	00000010100000110001100010000000000000000000000000000000	25-01-069640
O=C(C(Oc1cccc(c1C)C)C)NN=C1CCn2c1ccc2	EMOLS-id_36994805,PC-id_72056879,MCULE-8176729988	311.378	NAKGBMJIVPVPCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069641
O=C(C(Oc1cccc(c1C)C)C)N/N=C
/CCn2c1ccc2	PC-id_121564068	311.378	NAKGBMJIVPVPCM-CYVLTUHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069642
O(C(C(=O)N/N=C/1CCn2c1ccc2)C)c1c(c(ccc1)C)C	PC-id_56807382	311.378	NAKGBMJIVPVPCM-XDJHFCHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069643
O[C@@H]1C[C@@](C1)(C(=O)NC1CC(n2c1ncc2)C)c1ccccc1	EMOLS-id_319893773,MCULE-6544279379	311.378	QRMVNFAAUZWRHO-IYHQXMOMSA-N	00001010100000110001100010000000000000000000000000000000	25-01-069644
O[C@@H]1C[C@@](C1)(C(=O)NCc1cnc2n1CCC2)c1ccccc1	EMOLS-id_320235889,MCULE-6616507982	311.378	NZCLEACJNPBEPJ-RHNCMZPLSA-N	00001010100000110001100010000000000000000000000000000000	25-01-069645
O[C@@H]1C[C@@](C1)(C(=O)NCc1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_318791317	311.378	CMJUQXXKICYNDS-QGGXVJLZSA-N	00001010100000110001100010000000000000000000000000000000	25-01-069646
O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1n[nH]c2c1CCC2	ZINC22_155967133	311.378	MLVKIGDBDVXXNP-INIZCTEOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069647
O=C(NCC1([C@H](O)c2ccccc2)CC1)c1n[nH]c2c1CCC2	ZINC22_155967256	311.378	MLVKIGDBDVXXNP-MRXNPFEDSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069648
O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1n[nH]c2c1CCC2	MCULE-5303745728,PC-id_120425465,EMOLS-id_72957493,ZINC22_275711799	311.378	VHCYAWBKKQJFJJ-GUYCJALGSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069649
OC(=O)C1CC[C@H](N1Cc1cnc2n1CCC2)c1ccccc1	MCULE-8276770188,EMOLS-id_318508377	311.378	FQEXMPOIKSDDKA-VYRBHSGPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069650
OC(=O)C1(CCN(C1)Cc1cnc2n1CCC2)c1ccccc1	EMOLS-id_318462622,MCULE-1206567142	311.378	CBLCCIUJSKIRNK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069651
OC(=O)[C@@H]1CCN([C@@H]1c1ccccc1)Cc1cnc2n1CCC2	MCULE-4024467624,EMOLS-id_318697173	311.378	FSHHQUYFOFZZMP-NVXWUHKLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069652
OC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1)Cc1cc2n(n1)CCC2	EMOLS-id_316559399	311.378	ODKMQKLKDYKZGY-IAGOWNOFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069653
OC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1)Cc1cnc2n1CCC2	EMOLS-id_318507853,MCULE-9202220309	311.378	HSVCBGIHLXKUEV-HZPDHXFCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069654
OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1cnc2n1CCC2	EMOLS-id_318686253,MCULE-4777921277	311.378	HSVCBGIHLXKUEV-JKSUJKDBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069655
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)N	MCULE-7054233745,EMOLS-id_186576861	311.38	DHLSWIAICJDAST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069656
Cc1ccc(S(=O)(=O)NC(=O)c2cnn3c2CCC3)s1	EMOLS-id_316920423,MCULE-8447587847,ZINC22_835033286	311.38	SDGSUYNYNOZEEX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069657
OCc1ccc(nc1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978000	311.38	PBPWCBZVFCWPFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069658
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)c(O)cc1	PC-id_61507959	311.38	VEYVJNNTTXTNNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069659
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1ccnc(C)n1	BDE-33348797,PC-id_110118892,EMOLS-id_43267613,MCULE-6731136748	311.382	GATJPMRSKYBDQW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-069660
c1(CN2CCN(C(=O)C2)Cc2ccccc2)nnc2CCCn12	ZINC22_1889102710,EMOLS-id_324078871,PC-id_146074397,MCULE-1472129538	311.382	YIVXFAGGOSBGHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069661
c1(C(=O)N2CCN(CC2)c2ccccn2)c2CCCc2n(C)n1	EMOLS-id_179745196,MCULE-4321076621,PC-id_110389044	311.382	ZZPMCDISDFLPSP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069662
c1(C(=O)N2CCN(CC2)c2ccncc2C)c2CCCc2[nH]n1	PC-id_28078962,ZINC22_19147514,EMOLS-id_23818998,CoCoCo_1383243,CoCoCo_1383244,MCULE-6320850705	311.382	LTXILNHLGXRRSO-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069663
Cc1ccc(cc1)N1CCC(C1=O)NC1CC(n2c1ncn2)C	EMOLS-id_318680052,MCULE-9167100731	311.382	MZDCANVFGDLCPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069664
CC1CC(C(=O)N1c1ccccc1)NC1CC(n2c1ncn2)C	MCULE-1509794495,EMOLS-id_318524401	311.382	MDCMNJATBBCQJA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069665
Cc1ccnc(c1)N1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_101211681	311.382	WDASYYCYSLXMPS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069666
Cc1ccnc(c1)N1CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101211672	311.382	FDZYNFVDXLYMIG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069667
Cc1ccnc(c1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100429030	311.382	BHOXZNVOZWEMAR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069668
CC1CN(CCN1c1nccnc1)C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319525660	311.382	VTJFUVDTOQORJV-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-069669
Cc1nccc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_257230085	311.382	GATJPMRSKYBDQW-GFCCVEGCSA-N	00000010100010100001100010000000000000000000000000000000	25-01-069670
Cc1nccc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_257230086	311.382	GATJPMRSKYBDQW-LBPRGKRZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-069671
CC(C)n1nc(Cn2ccnc2)c2c1CN(Cc1ccoc1)C2	EMOLS-id_44369866,ZINC22_96259158,PC-id_97519245	311.382	GSLWQIUWGROVHS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-069672
C=C(CNC(=O)N(C)Cc1nnc2n1CCC2)c1ccccc1	EMOLS-id_316849083,MCULE-7107468341,ZINC22_1615538850	311.382	SUHRVOMYSKWRNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069673
CC(n1nc(c2c1CN(C2)Cc1ccco1)Cn1cncc1)C	PC-id_97519246	311.382	RWJQIJJZPSGFQF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-069674
CN1CCC(C1=O)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318220337,MCULE-6230164360	311.382	UJVVVQOOXBHEAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069675
Cn1nc(c2c1CN(C2)Cc1ccccn1)C(=O)N1CCCC1	PC-id_97462002	311.382	LXLZWMASSJBCED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069676
CN(C(=O)c1n[nH]c2c1CN(C2)CC1CC1)Cc1ccccn1	PC-id_97389053	311.382	FAXFXXRCWCVPDL-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-069677
C(=O)(N1CCCC1)c1cccnc1NCc1c2CCCc2[nH]n1	PC-id_134697383,ZINC22_1529101851,MCULE-5118815060,EMOLS-id_316177824	311.382	OOGIGUIVAMQESV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069678
O=C1CCCCN1c1cccc(c1)NC1CC(n2c1ncn2)C	EMOLS-id_318383230	311.382	NVIMKSJPYWZPOC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069679
O=C1CCCN1c1ccc(cc1C)NC1CC(n2c1ncn2)C	EMOLS-id_318549439	311.382	DZQNWAHDVSNQKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069680
O=C1CCCN1c1cccc(c1)CNC1CC(n2c1ncn2)C	EMOLS-id_318642987,MCULE-6262723280	311.382	SZTRQZJFFOJOEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069681
O=C1CCCN1c1ccc(cc1)CNC1CC(n2c1ncn2)C	MCULE-9849590442,EMOLS-id_318514050	311.382	ZMPWJLZLLLENFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069682
O=C1C(CCN1Cc1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_279083718	311.382	GXXHMSWUCAYRLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069683
O=C1CCCN1Cc1cccc(c1)NC1CC(n2c1ncn2)C	EMOLS-id_318411708,MCULE-3497811175	311.382	SIMYGRBVLHMUQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069684
O=C(c1cc2n(n1)CCC2)Nc1ccc(cn1)N1CCCCC1	EMOLS-id_318692916	311.382	DAEQFSHHVHWKTP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069685
O=C(c1cc2n(n1)CCC2)Nc1ccc(nc1)N1CCCCC1	EMOLS-id_318465707	311.382	QDBXNCKEYPATKL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069686
O=C(c1cc2n(n1)CCC2)Nc1cccnc1N1CCCCC1	EMOLS-id_318467900	311.382	VYPQGBLPAMDECD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069687
O=C(c1cc2n(n1)CCC2)Nc1ccnc(c1)N1CCCCC1	EMOLS-id_318513373	311.382	PBPZKMQBBHZTNM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069688
O=C(C1(CCCN1)c1ccccc1)NCc1nnc2n1CCC2	EMOLS-id_318805653	311.382	NZYMCMUMZXILIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069689
O=C(C1CCCN1Cc1ccccn1)N1Cc2c(C1)cnn2C	EMOLS-id_317991867	311.382	QVMPJIRQLBXSCT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069690
O=C(c1cccnc1N1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318509616	311.382	YMPQIQWSLAKDSU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069691
O=C(c1ccc(nc1)N1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318673479	311.382	QBXXPEFOGHUCHW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069692
O=C(c1cccnc1N1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319758276	311.382	MKJTXZRIJHWHLH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069693
O=C(c1ccc(nc1)N1CCCC1)NCc1cnc2n1CCC2	MCULE-6927930221,EMOLS-id_319895967	311.382	PVUSRTKLSPPISS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069694
O=C(c1ccc(nc1)N1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319346804	311.382	XOUMPGDFXAGCCX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069695
O=C(c1cccnc1N1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319448585	311.382	XZFRCUSHVMUYQX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069696
O=C(c1ccc(nc1)NCC1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320202756,MCULE-1565793343	311.382	YKXJUDZGMSXKHN-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-069697
O=C(c1ccnc(c1)NC1CCC1)NCc1cnc2n1CCC2	EMOLS-id_320036005,MCULE-4573781347	311.382	KAMFDHGPYWBYSO-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-069698
O=C(c1ccnc(c1)NC1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319532300	311.382	SKBHDKLXWDZRPR-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-069699
O=C(c1cnc2n1CCC2)N1CCC(CC1)Nc1ccccn1	EMOLS-id_318629724,MCULE-5522455045	311.382	PKFRCQKBKATMGU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-069700
O=C(c1cnc2n1CCC2)Nc1ccc(cn1)N1CCCCC1	EMOLS-id_318560500	311.382	LLAWDPVKJGADRN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069701
O=C(c1cnc2n1CCC2)Nc1cccnc1N1CCCCC1	EMOLS-id_318467661	311.382	JDHYOLQNDSKBJL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069702
O=C(c1cnc2n1CCC2)Nc1ccc(nc1)N1CCCCC1	EMOLS-id_318699956	311.382	UIRRMVOFAVMJRR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069703
O=C(c1cnc2n1CCC2)Nc1ccnc(c1)N1CCCCC1	EMOLS-id_318611302	311.382	JYFQMHDLNQGAOE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069704
O=C(c1cnn2c1CCC2)N1CCC(CC1)Nc1ccccn1	MCULE-9524963781,EMOLS-id_318460193	311.382	GOBYCMXZUDGXAK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-069705
O=C(c1cnn2c1CCC2)Nc1ccc(cn1)N1CCCCC1	EMOLS-id_318483612	311.382	SDPJSTXFKOKRQX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069706
O=C(c1cnn2c1CCC2)Nc1cccnc1N1CCCCC1	EMOLS-id_318453065	311.382	BCHGNXMGZKEWLU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069707
O=C(c1cnn2c1CCC2)Nc1ccc(nc1)N1CCCCC1	EMOLS-id_318561145	311.382	QALJTWJZKLERLI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069708
O=C(c1cnn2c1CCC2)Nc1ccnc(c1)N1CCCCC1	EMOLS-id_318496870	311.382	DVOYKCAZJFQTLJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069709
O=C(C1NCc2c1c[nH]n2)N1CCCN(CC1)c1ccccc1	EMOLS-id_319955940,MCULE-4433458019	311.382	MSQIADQYSFJQBK-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-069710
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)c1ccccc1C	EMOLS-id_319380597	311.382	LETNSQGUVQUYBK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069711
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)Cc1ccccc1	MCULE-8896492556,EMOLS-id_320042797	311.382	NKFYPXIKMZTCIH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069712
O=C(C1NCc2c1c[nH]n2)NCc1ccccc1N1CCCC1	EMOLS-id_319828369,MCULE-7633022589	311.382	XNGZHDKCJHJANE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069713
O=C(C1NCc2c1c[nH]n2)N(Cc1ccc(nc1)C)CC1CC1	EMOLS-id_318876300	311.382	INVXXRCWFSJIPT-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-069714
O=C(c1nccc(c1)N1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318743298	311.382	YBYHEPIWOUFWMF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069715
O=C(c1nccc(c1)N1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_101171718	311.382	WHSOTIOIRPGIKY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069716
O=C(c1ncccc1NCC1CCC1)N1Cc2c(C1)cnn2C	EMOLS-id_319267220	311.382	NFRUXIFNGRDMQW-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-069717
O=C(c1ncccc1NCC1CCC1)NC1CCn2c1ncc2	EMOLS-id_319201153	311.382	LDVRRACDPSXBJP-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-069718
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)Nc1ccccn1	MCULE-2023723170,EMOLS-id_318561148	311.382	KNLZRPFQYZRCBZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-069719
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1ccncc1	ASN-20318439	311.382	MJOXKYVDMDWFNE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-069720
O=C(c1n[nH]c2c1CCC2)NCc1ccnc(c1)N1CCCC1	EMOLS-id_98167133	311.382	NTAHCLARLOUKKF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069721
O=C(N1Cc2c(C1(C)C)[nH]nc2N)NC1CC1c1ccccc1	SCHEMBL1367843,PC-id_67007782	311.382	JSAHGFPCTFYDMG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069722
O=C(N1Cc2c(C1(C)C)[nH]nc2N)NC1C[C@@H]1c1ccccc1	PC-id_59474163,SCHEMBL12143683	311.382	JSAHGFPCTFYDMG-JTDNENJMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069723
O=C(N1Cc2c(C1(C)C)[nH]nc2N)N[C@@H]1CC1c1ccccc1	SCHEMBL13470418,PC-id_70914383	311.382	JSAHGFPCTFYDMG-GLGOKHISSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069724
O=C(N1Cc2c(C1(C)C)[nH]nc2N)N[C@H]1C[C@@H]1c1ccccc1	PC-id_59474179,SCHEMBL1368841	311.382	JSAHGFPCTFYDMG-YPMHNXCESA-N	00100010100000110001100010000000000000000000000000000000	25-01-069725
O=C(N1Cc2c(C1(C)C)[nH]nc2N)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL1367846,PC-id_59474138	311.382	JSAHGFPCTFYDMG-WCQYABFASA-N	00100010100000110001100010000000000000000000000000000000	25-01-069726
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)C1CCC1	EMOLS-id_319633429	311.382	YOJZICYNZMWQJO-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-069727
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)C1CCC1	EMOLS-id_319731398	311.382	HUAZUCLAMFLKTC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-069728
O=C(N1Cc2c(C1)cn[nH]2)[C@@H]1CC[C@@H](CC1)Nc1ccccn1	EMOLS-id_319813648	311.382	RVRSSFHYSQDNEW-XBXGTLAGSA-N	00000010100010101001000010000000000000000000000000000000	25-01-069729
O=C(N1CCC1c1ccccc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318246341	311.382	ZZIPJJNGEDILDX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-069730
O=C(N1CCCC1c1ccccc1)NCc1nnc2n1CCC2	EMOLS-id_318395785	311.382	KMMRZPXBUBKKCU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069731
O=C(N1CCn2c1ccn2)[C@@H]1CC[C@@H](CC1)Nc1ccccn1	EMOLS-id_319080448	311.382	KRIHGEOUAXCVBE-OKILXGFUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-069732
O=C(N1CCn2c1ncc2)[C@@H]1CC[C@@H](CC1)Nc1ccccn1	EMOLS-id_319178129	311.382	HNNRDFKSKHVETK-OKILXGFUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-069733
O=C(Nc1ccc(N2CCCCC2)cn1)c1n[nH]c2c1CCC2	MCULE-7645336650,EMOLS-id_98071858,ZINC22_126824553	311.382	WMPIHDWMJHTCCN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069734
O=C(NCC1C(C1)c1ccccc1)NCc1n2CCCc2nn1	MCULE-1459067368,EMOLS-id_45649194,PC-id_71931723	311.382	MBZAKIJUZITDGV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-069735
NNc1cccnc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_103301169	311.383	MNAPWAIIPZENJC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069736
s1c2CCCc2nc1NS(=O)(=O)c1ccc(nc1)NN	PC-id_61512017	311.383	BSNJZHBDNPUEKY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069737
s1c2CCCc2nc1NS(=O)(=O)c1cc(ncc1)NN	PC-id_61512088	311.383	PZGBJXRYVPQHOB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069738
s1c2CCCc2nc1NS(=O)(=O)c1c(nccc1)NN	PC-id_61512054	311.383	KYPZXJWGJDEXAN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069739
s1c2CCCc2nc1NS(=O)(=O)c1cnc(nc1)NC	PC-id_62152392	311.383	NIMGHWIFQFPFHV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-069740
s1c2CCCc2nc1NS(=O)(=O)c1c(NN)ccnc1	PC-id_64275007	311.383	JRTYGNFCOJRUOP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-069741
S1Cc2c(sc(c2OC(C)C)C(=O)Nc2n[nH]nn2)C1	PC-id_9883209	311.383	PNPKOMXFINGATC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069742
c1(c[nH]c(CCCC)n1)c1nccn1Cc1nnc2CCCn12	PC-id_56877056,ZINC22_71760914,MCULE-4221352097,EMOLS-id_43202757	311.385	YCPZWIPHGYBZOJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-069743
n12CCCc1nnc2Cn1c(ncc1)c1n[nH]c(CC(C)C)c1	PC-id_56865285	311.385	JRIRTUFRDCRFTK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-069744
n12CCCc1nnc2CNC(=O)CSc1nnc(N)s1	EMOLS-id_31616732,PC-id_46992918,MCULE-8813238698,ZINC22_63868148	311.387	WYAOKUCSBRJXNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069745
s1c2c(CCC2)cc1CNS(=O)(=O)c1ccc(F)cc1	PC-id_61215853	311.395	QPWLDAJNMGVXQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069746
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(F)cccc1	PC-id_61216024	311.395	HJIWBOGWYPNHEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069747
c1(NC(=O)OCCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_2790142,EMOLS-id_1863137,Chemmine_10891,CoCoCo_812344,MCULE-8307922183,ZINC22_4040509,ChEMBL-DNDi_CHEMBL3992-2038	311.397	SAHXJZAROJTWQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069748
CC(C)(C)OC(=O)Nc1sc2CCC(C)(C)c2c1C(=O)O	EMOLS-id_329960940	311.397	UFVGSPCIEGJNIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069749
CCC1(CCCC1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110435740	311.4	YHBQEEJOMHJRQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069772
CCOC(=O)c1c(NC(=O)CCCCO)sc2CCCc12	EMOLS-id_328057407,MCULE-7847285093,PC-id_79194769	311.397	IDGUTRGQOAWKIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069750
CCOC(=O)c1c(NC(=O)COC(C)C)sc2c1CCC2	PC-id_115593858	311.397	TUJBCMXORUDJCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069751
CCOC(=O)c1c(NC(=O)C)sc2c1C(C)(C)OC2(C)C	SCHEMBL16817380,PC-id_118158568	311.397	YNJQKOBJFBOEEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069752
CCOC(=O)c1c(N)sc2c1[C@@](CC)(CC2)C(=O)OCC	PC-id_101692949	311.397	NCQSUBFEOMYBBM-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069753
CCOC(=O)c1c(N)sc2c1[C@](CC)(CC2)C(=O)OCC	PC-id_101692950	311.397	NCQSUBFEOMYBBM-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069754
CCOC(=O)c1c(sc2c1CCC2)N(CC(C(=O)O)C)C	PC-id_112479523	311.397	IRKQDHIJSHCIPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069755
CCOC(=O)c1c(sc2c1CCC2)N(CCC(=O)O)CC	PC-id_95508126	311.397	RZHBNBCDGDEYFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069756
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(OC)(C)C	PC-id_103029096	311.397	RORMHGTVTUSYGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069757
COC(=O)c1c(NC(=O)COC(C)(C)C)sc2c1CCC2	PC-id_115950328	311.397	SQUUBANKQCHNDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069758
s1c2CCCc2cc1C(=O)N(CCC(=O)OC)CCOC	PC-id_78959033	311.397	KEJBUWMKQFCJBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069759
s1c2c(CCC2)c(c1NC(=O)CCC(O)C)C(=O)OCC	PC-id_79203871	311.397	GLTLRZOJJDNAQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069760
s1c2c(CCC2)c(c1NC(=O)OC(C)(C)C)C(=O)OCC	PC-id_65142616	311.397	TVCPLNMLHWMYTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069761
s1c2c(C(CC2)(CC)C(=O)OCC)c(c1N)C(=O)OCC	PC-id_10805000	311.397	NCQSUBFEOMYBBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069762
S1[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(C)(C)C	PC-id_11220650	311.397	LKLKGHOASGOUSQ-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069763
S1C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(C)(C)C	PC-id_72756693	311.397	LKLKGHOASGOUSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069764
C=CCc1cccc(c1)C(=S)C1(CCn2c1ccc2)C(=O)O	SCHEMBL11127653,PC-id_88728099	311.398	ZUVYMRDPXWVJTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069765
CCCC1C(O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_21735847,SCHEMBL9654199	311.398	QTKYGASRUFBMSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069766
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CS(=O)(=O)C)C1	MCULE-4687499096,EMOLS-id_49880632,PC-id_77086683	311.4	NYKKYHSDUDPWMK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069767
c1(C(=O)N(CC)C2CCS(=O)(=O)C2)c2CCCc2n(C)n1	PC-id_110389033,EMOLS-id_179745163,MCULE-5038591970	311.4	UGTNBOGXBJCENM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069768
CC1CCCCC1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112096985	311.4	WDYLLTNCTDFQME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069769
CC1(CCOC1C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240096	311.4	FOXOYGFXLFPUPL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-069770
CC1OC(CN(C1)S(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100326413	311.4	URSTZHZJYVQXLF-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-069771
CCC1CCCC1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112079672	311.4	NSHKHUFJMCNSKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069773
CC(C[C@@H]1C[C@H]1C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_112079657	311.4	NUAHZYMYSUVEDL-GHMZBOCLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-069774
CCC(C(=O)O)(CNC(=O)Nc1sc2c(n1)CCC2)CC	PC-id_115431003	311.4	CJLXQRTYRMCGNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069775
CCC(NC(=O)CCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288433	311.4	ZAMWUKNHSQYBTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069776
CC(CNC(=O)CCNc1nc2c(s1)CCC2C(=O)O)C	PC-id_104430321	311.4	WTBKOUMOIVGSDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069777
CC(CNC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C)C	PC-id_104403718	311.4	LIWFVFASOJOCRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069778
CCCNC(=O)CNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104287966	311.4	WLUBAIUOZJZKHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069779
CCC(=O)C1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100215646	311.4	WWFZEBBBPWTNKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069780
CCN1CCOC(C1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_114401442	311.4	SMTXHYPYGGALGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069781
CC(Nc1nc2c(s1)CCC2C(=O)O)CN1CCOCC1	PC-id_104288469	311.4	FDRBSBDTCCMQEH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069782
CCN(C(=O)CCNc1nc2c(s1)CCC2C(=O)O)CC	PC-id_104436163	311.4	BAUQKPSWNFGMEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069783
CCNC(=O)CCNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104430274	311.4	WWHZGIUSGPDWSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069784
CCN(C(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C)CC	PC-id_104410336	311.4	KJCSNIAQFDNKQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069785
CCNC(=O)C(Nc1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_104288508	311.4	JGZTXHCKVLCNQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069786
CCOC(=O)C1CCc2c1nc(s2)NCCCCC(=O)N	PC-id_106241474	311.4	QVNLHZSBCUCJIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069787
CCOC(=O)C1CCc2c1nc(s2)NCCC(=O)N(C)C	PC-id_104288244	311.4	OLPWBDZRGBUAJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069788
CCOC(=O)C1CCc2c1nc(s2)NC(CC(=O)N)(C)C	PC-id_106098642	311.4	MOSQHUMJRRGICF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069789
CCOC(=O)C1CCc2c1nc(s2)NCC(C(=O)N)(C)C	PC-id_106280413	311.4	FANLLZJOHUIUFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069790
CCOC(=O)C1CCc2c1nc(s2)NCC(=O)NC(C)C	PC-id_104287982	311.4	RTWDFCCVUBFFRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069791
CCOC(=O)C1CCc2c1nc(s2)NC(C(=O)N(C)C)C	PC-id_104288512	311.4	BHCWJBYCLLSPSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069792
CCOC(=O)C1CCc2c1nc(s2)NCC(=O)N(CC)C	PC-id_105971245	311.4	JPOMYZLTLSEBRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069793
CCOC(=O)C1CCc2c1nc(s2)NC(C(=O)N)C(C)C	PC-id_106347381	311.4	QGCZTHCMWMQGRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069794
Cn1ncc2c1CN(C2)S(=O)(=O)CC1CCC(O1)C1CC1	EMOLS-id_319077365	311.4	RXORTICYDDNDSB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-069795
CO[C@@H]1COC[C@@H]1NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010902	311.4	KHFDYHUUBXITOT-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069796
CS(=O)(=O)C[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_99933449,ZINC22_215605949	311.4	NYKKYHSDUDPWMK-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-069797
CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_215605907,PC-id_99933448	311.4	NYKKYHSDUDPWMK-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069798
O=C(C1CC1(C)C(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110405203	311.4	PXXJCRUXTQQMGQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-069799
O=C(C1C(C1(C)C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057233	311.4	DIRUPUQNLGADLS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-069800
O=C(c1cc2n(n1)CCC2)NS(=O)(=O)CC1CCCCC1	EMOLS-id_112077584	311.4	HWWFBYZBZSQIIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069801
O=C(C1CCC(C1)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481219	311.4	ANPOCKBKNFHRGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069802
O=C(C1CCCC1(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481225	311.4	XHKPQDQFGILHQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069803
O=C(C1(CCCC1)S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_320088347,MCULE-2413117122	311.4	KNCZZXJCCDRWOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069804
O=C(C1(CCCC1)S(=O)(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319003921	311.4	SRXBHSUBYAYSKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069805
O=C(C1CCCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389633	311.4	FQCYWGXBUSIBRG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-069806
O=C(c1cnn2c1CCC2)NS(=O)(=O)CC1CCCCC1	EMOLS-id_112077599	311.4	JYXYXEGBEOKIGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069807
O=C(c1cnn2c1CCC2)NS(=O)(=O)CCC1CCCC1	EMOLS-id_112089944	311.4	MYRVEJGVYOGZJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069808
O=C(c1nn2c(c1)CCC2)NS(=O)(=O)CCC1CCCC1	EMOLS-id_112089941	311.4	DYBROMYDURQUFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069809
O=C(c1n[nH]c2c1CCC2)N1CCCCC(C1)S(=O)(=O)C	EMOLS-id_111935881	311.4	CYNLOOFPYAZKCV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-069810
O=C(C(C1CCC1)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112079645	311.4	BSTQMKUZUOLPJI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-069811
O=C(C(Nc1nc2c(s1)CCC2C(=O)O)C)NC(C)(C)C	PC-id_104403706	311.4	AWRFZNWBNDAMBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069812
O=C(CS(=O)(=O)C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319236931	311.4	WMWKWHXFTWTJDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069813
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1COCCO1	EMOLS-id_102000147	311.4	QSKRIRXJDLOLKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069814
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(O)COCC1	EMOLS-id_102005589	311.4	MRTFPGYJDQLABM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069815
O=C(NCCC1CCS(=O)(=O)CC1)c1cnn2c1CCC2	EMOLS-id_316478078,MCULE-4423742489,ZINC22_622476982	311.4	IVOONFUOTVGSQF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069816
O=C(NC(C)(C)C)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104430308	311.4	CFMUGGRNRWDDPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069817
O=C(N[C@H]([C@H]1COC(O1)(C)C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318777783	311.4	YRJSBDNMPLKKGI-WCBMZHEXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069818
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCCC1	EMOLS-id_110495733	311.4	FGLYTRXRCORNKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069819
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1(C)CCCC1	EMOLS-id_111958009	311.4	AGAGVCCUGVKBOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069820
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC(C1CC1)(C)C	EMOLS-id_110874282	311.4	CAHDOOMQFRXHNW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-069821
O=C(NS(=O)(=O)c1cnc2n1CCC2)CCC1CCCC1	EMOLS-id_112057200	311.4	CCLARRAHIUKXNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069822
OC(=O)C1CCc2c1nc(s2)NCCCN1CCOCC1	PC-id_104287787	311.4	DENWOOLIKYFLBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069823
O=S(=O)(c1cnc2n1CCC2)N1CCCC1C1CCCO1	EMOLS-id_98204347	311.4	CJDRXCYKMQJAJG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-069824
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)C1COCC1	EMOLS-id_100233853	311.4	DACHNRVEQDMETM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-069825
O=S(=O)(c1cnc2n1CCC2)N(C1CC1)CC1COCC1	EMOLS-id_100203168	311.4	TXNCRFBYGQLWSO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-069826
O=S(=O)(c1cnc2n1CCC2)NC1CCOC(C1)C1CC1	EMOLS-id_100235332	311.4	GXHTUKXISGCACS-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-069827
s1c2CCCc2cc1C(=O)N(CC/C(=N/O)/N)CCOC	PC-id_63285752	311.4	SWIBUAIRRSZPGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069828
s1c2CCCc2nc1NC(=O)CCNC(=O)OC(C)(C)C	PC-id_33040412	311.4	IOLBXGQGTFWWJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069829
s1c2CCCc2nc1NC(=O)NCCCCCCC(=O)O	PC-id_61510087	311.4	KTJCQBGLJURKKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069830
s1c2CCCc2nc1NC(=O)N(C(C)(C)C)CCC(=O)O	PC-id_61510336	311.4	NCLVDRUXYOCDPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069831
s1c2CCCc2nc1NC(=O)N(C(C)C)CCCC(=O)O	PC-id_61510372	311.4	UXUNRUMWXZGWPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069832
s1c2CCCc2nc1NC(=O)NCC(CC(C)C)C(=O)O	PC-id_80118099	311.4	BNWRKPLSHFSDSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069833
s1c2CCCc2nc1NC(=O)NC(C(C)(C)C)CC(=O)O	PC-id_81989697	311.4	SOJHWPKEUHIVTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069834
s1c2CCCc2nc1NC(=O)NCCC(CCC(=O)O)C	PC-id_64364805	311.4	VTJXEVZSXIZSHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069835
s1c2CCCc2nc1NC(=O)NC(C(C)(C)C(=O)O)(C)C	PC-id_65263940	311.4	MHJRRBPJPSYDIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069836
c1nccc(c1)CCCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327776453,MCULE-3159388437	311.401	BSIZYLLSVWBTNT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-069837
c1(NC(=O)c2ccc(cc2)N(C)C)sc2c(CCC2)c1C#N	MCULE-7838975657,EMOLS-id_318531573	311.401	PVOOZKWPUCVWPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069838
c1(NC(=O)c2cc(C)c(nc2C)C)sc2c(CCC2)c1C#N	EMOLS-id_322863078,MCULE-7237238484	311.401	YVOMICHGCZOZQB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-069839
c1(NC(=O)NCCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-2544427845,ZINC22_6719686,STOCK6S-10578,EMOLS-id_4740492,PC-id_8057024	311.401	NKXPFQUARIVGGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069840
CC(CC(=O)Nc1sc2CCCc2c1C#N)c1ccccn1	MCULE-1077223000,EMOLS-id_328196870	311.401	ZPMWDNHUVDUWRN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-069841
CC(CC(=O)Nc1sc2CCCc2c1C#N)c1cccnc1	MCULE-1600026099,EMOLS-id_328186372	311.401	ZHZNFPAJXGTMAG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-069842
CC(CC(=O)Nc1sc2CCCc2c1C#N)c1ccncc1	MCULE-1362810748,EMOLS-id_328143107	311.401	GBHCGFWECBHZBP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-069843
CN(c1cc(C(=O)Nc2c(C#N)c3c(CCC3)s2)ccc1)C	MCULE-5085405646,EMOLS-id_318494468	311.401	FJJAVZPNBCLEAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069844
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1	MCULE-8747090906,CoCoCo_3565898,EMOLS-id_3683697,PC-id_2697514,ZINC22_3582808	311.401	PSTSJCTYFQAZHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069845
n12nc(nc1sc(=CC(=Cc1ccccc1)C)c2=O)CCC	MCULE-6841278119	311.401	YZHHASDSLRLKJN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-069846
[2H]c1nn2c(n1)C(=Nc1c(C)c(C)c(c(c1C)C)N(C)C)C(=N2)C	SCHEMBL14198814	311.403	DBZAFMILWIPECG-BNEYPBHNSA-N	00000011100000110001000010000000000000000000000000000000	25-01-069847
N(c1c(c(c(/N=C/2c3n(N=C2C)nc(n3)[2H])c(c1C)C)C)C)(C)C	PC-id_59703110	311.403	DBZAFMILWIPECG-OGZCHPSGSA-N	00000011100000110001000010000000000000000000000000000000	25-01-069848
N#Cc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106267729	311.403	LQTGYIJZQZFJAM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069849
c1ncc(CNc2ccc(Cc3nnc4n3CCC4)cc2)s1	PC-id_99834111,ZINC22_191651965,EMOLS-id_53797653,MCULE-1137350840	311.405	AHUMYMNQTMVDDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069850
CC1CC(c2n1ncn2)NC(c1nccs1)c1ccccc1	EMOLS-id_279082479	311.405	UFHVWIWUENSFJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069851
Cc1nccn1c1ncccc1NCc1nc2c(s1)CCC2	EMOLS-id_49301623,ZINC22_97047058,PC-id_75498782,MCULE-5727681863	311.405	KZXBIDZBZTWVKF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069852
C(Cc1sc2c(n1)CCC2)Nc1ncc(nc1)n1cccc1	MCULE-9084981090,EMOLS-id_320013524	311.405	ACMPWNPXKRUISK-UHFFFAOYSA-N	00000010110000100001100010000000000000000000000000000000	25-01-069853
CCOC(=O)C(C1CCn2c1c(C)c(c2C)C)c1ccccc1	PC-id_142629732	311.418	KWHYSWAQJBXAOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069854
O=C(c1ccc2n1CCC2)c1ccc(cc1)CCOC(C)(C)C	PC-id_144985213	311.418	YJFDVWFSTKZGFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069855
O(C(=O)C(c1n2CCCc2cc1)c1c(c(c(cc1)C)C)C)CC	PC-id_54070598	311.418	MGDRRIVLAPDSLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069856
CCOC(=O)[C@@H](Cc1cc2c(s1)C(N(C2(C)C)[O])(C)C)N	PC-id_101859924	311.42	QJXYYAWTYWVCAF-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069857
CCOC(=O)[C@H](Cc1cc2c(s1)C(N(C2(C)C)[O])(C)C)N	PC-id_101859925	311.42	QJXYYAWTYWVCAF-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-069858
O=C(c1sc2c(c1)CCC2)NC1(CCSCC1)C(=O)O	PC-id_120208454,MCULE-6841734222,EMOLS-id_57266368	311.42	XVHZPJDMIDYWHD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-069859
O=C(N(C1CC(n2c1ccc2)(C)C)Cc1ccccc1)NCC	PC-id_3511165	311.421	ZBXDPQWVOQALDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069903
OC(=O)CC1CSCCN1C(=O)c1sc2c(c1)CCC2	MCULE-5445238487,EMOLS-id_51918984,PC-id_66444447	311.42	LSTQHFMDHNPUFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069860
s1c2c(CCC2)cc1C(=O)N1C[C@H](SCC1)C(=O)OC	PC-id_9272434	311.42	NTNSVOXKFFXVJA-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069861
s1c2c(CCC2)cc1C(=O)N1C[C@@H](SCC1)C(=O)OC	PC-id_9272437	311.42	NTNSVOXKFFXVJA-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069862
s1c2c(CCC2)cc1C(=O)N1CC(SCC1)C(=O)OC	PC-id_84968121	311.42	NTNSVOXKFFXVJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069863
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C)(C)C)C(=O)OC	PC-id_41037116	311.42	XXZFEUHEPTXRFB-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-069864
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C)C)C(=O)OCC	PC-id_7299865	311.42	WDMMCLYDTTXRQA-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-069865
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC)C(=O)OC	PC-id_28361730	311.42	XTMWTCUUVBOVHF-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-069866
S1C(CCC1)(C(=O)Nc1sc2c(CCC2)c1C(=O)O)C	PC-id_81456398	311.42	UFYCRCQQIRFIPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069867
S1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_80594171	311.42	HKLQPMJZVDWWJW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-069868
S1C(N(C(C1)C(=O)O)C(=O)c1sc2c(CCC2)c1)CC	PC-id_63790937	311.42	BZESUYJQPINFRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069869
c1(C(=O)Nc2c(cccc2C(C)C)C(C)C)cn2c(CCC2)n1	MCULE-5700248516,EMOLS-id_321295837	311.421	BRFAIIWQVLZHAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069870
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)C(C)(C)C)n1	MCULE-1161233947,EMOLS-id_331036676	311.421	FCLMTLVDGCAXSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069871
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)CC(C)C)n1	MCULE-7189229968,EMOLS-id_331036420	311.421	JAXIYDDWZQHFJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069872
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)CC(C)C	EMOLS-id_331014334,MCULE-2815724456	311.421	MXLZDFZJZVKMQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069873
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)C(C)(C)C	MCULE-6758126012,EMOLS-id_331014590	311.421	LQFMTMPGVLKMNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069874
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)C(C)C	EMOLS-id_331021239,MCULE-2263166734	311.421	AUITUFHFGOJBBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069875
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)CCC	EMOLS-id_331021495,MCULE-1965823523	311.421	WTHHEARENGOXPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069876
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1c(C)cc(c(C)c1)C	EMOLS-id_331020727,MCULE-9456536311	311.421	BPJDSGOQAVEJMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069877
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(C(C)C)c1	MCULE-2297878476,EMOLS-id_331018426	311.421	ZNRHZXUCLFSLMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069878
c1(C(=O)Nc2c(C)ccc(C(C)(C)C)c2)c2CCCc2n(C)n1	EMOLS-id_320480524,PC-id_84467414,MCULE-5619445669	311.421	LUPJRKUVSSMEAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069879
CC1CCc2c1c(CN)nn2Cc1ccc(OCC2CC2)cc1	EMOLS-id_331010303,MCULE-6697430950	311.421	RVDKMXDFRJPBHR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069880
CC1CC(c2n1ccn2)NC1CC(C1(C)C)Oc1ccccc1	MCULE-9119849368,EMOLS-id_318101913	311.421	OWLJQFJIZQTMSM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-069881
CC1CC(c2n1ccn2)NC(c1ccccc1)C1CCOCC1	MCULE-4525472713,EMOLS-id_318738760	311.421	UXQSCQJIHXFCPT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069882
CC1CC(c2n1ccn2)NCC1CCCOC1c1ccccc1	EMOLS-id_318165234,MCULE-3183275875	311.421	YEFFYSHZXNAWJA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069883
CC1CC(c2n1ccn2)NCC1(CCOCC1)c1ccccc1	EMOLS-id_317989146,MCULE-5721066550	311.421	CZOCNICTHYZPGH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069884
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(CN)c12	MCULE-8256234029,EMOLS-id_330996153	311.421	OVGYIDXZPZIHEX-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-069885
Cc1ccccc1C1(CCOCC1)CNC1CCn2c1ncc2	MCULE-4802421444,EMOLS-id_318100369	311.421	AKDPBFMVWXOGLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069886
Cc1ccc(cc1)C1OCCCC1CNC1CCn2c1ncc2	MCULE-9269756293,EMOLS-id_318084859	311.421	AXSRBMSUTNLFSQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069887
Cc1ccc(cc1)[C@@H]1OCCC[C@H]1NC1CC(n2c1ncc2)C	MCULE-7643950030,EMOLS-id_318666438	311.421	ADMUQTLUPYDDRE-CCRGXQTGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069888
Cc1ccc(cc1)[C@@H]1OCCC[C@H]1NCc1cnc2n1CCC2	MCULE-4138527461,EMOLS-id_318766108	311.421	LLKYKDIOHFGYKP-MJGOQNOKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069889
Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_566255961	311.421	DKDCRIIHXQJCDQ-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069890
Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_566255963	311.421	DKDCRIIHXQJCDQ-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069891
CCc1ccc(cc1)C(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_318790547	311.421	BZLZLCHMPBTWKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069892
CCc1ccc(cc1)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_318918152	311.421	PMASRKYAQDNSCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069893
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1C(=O)N	MCULE-3980586745,EMOLS-id_331020983	311.421	VNGZYGKOUNENKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069894
CC(c1nn2c(c1)CCC2)NC1CCOC(C1)c1ccccc1	MCULE-4197148425,EMOLS-id_318102008	311.421	LYFZDPSGBCSXQB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069895
CC(C(c1ccccc1C)N(C(=O)c1cn2c(n1)CCC2)C)C	MCULE-1231182150,EMOLS-id_316911009	311.421	DKDCRIIHXQJCDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069896
CCC(c1ccccc1C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_319561289	311.421	GEHGWFVHAMMZMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069897
CN1Cc2cncn2C1C(CC1CCC(C1)c1ccccc1)O	PC-id_137500266,SCHEMBL20744071	311.421	PZDMJMQQDYPBIN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069898
CN(C)CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328212598,MCULE-5404593463	311.421	SHBJJKLZPRVCJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069899
COc1ccc(cc1)C1(CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318165007	311.421	RTNAKSXMRIPMLV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069900
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCN	EMOLS-id_328214647,MCULE-1034649256	311.421	VXGPHODBXNSGCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-069901
O=C(c1ccccc1CC(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_318895928	311.421	QLBGCIHTQYOLIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069902
O=C(NCc1ccc(CCCC)cc1)c1n(nc2c1CCC2)C	PC-id_14536012	311.421	FIVIAYFHVVQANB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069904
O=C(NCc1ccc(CC(C)C)cc1)c1n(nc2c1CCC2)C	PC-id_14536013	311.421	LIKHQJFMOUPUGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069905
O=C(NCc1ccc(C(CC)C)cc1)c1n(nc2c1CCC2)C	PC-id_14536014	311.421	OFIXOUKDZZEXSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069906
O=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2c1CCC2)C	PC-id_14536015	311.421	FRPVDPJGJLWVEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069907
CC1CC(c2n1ccn2)NS(=O)(=O)c1sc(c(c1)C)C	EMOLS-id_101318461	311.423	XOMZYNBAQPMOLO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069908
Cc1cc(c(s1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101317279	311.423	GHMJDGYBICWHIO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069909
Cc1cc(c(s1)S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_317931722	311.423	MPLBPGQKVNWMES-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069910
Cc1sc(cc1C)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_317944260	311.423	JMSCLEZNMVYYHL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069911
Cc1sc(cc1C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319214726	311.423	QFPKKTPWBRNFOH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069912
CC(c1ccc(s1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_316410380,MCULE-3223616448	311.423	PIBWSEJAQVANCF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-069913
CCCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	ChEMBL-DNDi_CHEMBL1492059,CoCoCo_6894363,ZINC22_2052479,CHEMBL1492059,PC-id_1718389	311.423	FOUKFXNAPADHSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069914
CC(C)C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_568727,PC-id_959661	311.423	QSNXFYXJNQKMFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069915
s1c2c(CCC2)cc1CNCC(O)COc1nsnc1	PC-id_61207970	311.423	ACYGQVGMZKLGKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069916
s1c2c(CCC2)cc1CNS(=O)(=O)c1c([nH]nc1C)C	PC-id_61208796	311.423	BJKOBMUDLGSRGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069917
s1c2c(CCC2)cc1CNS(=O)(=O)c1[nH]c(nc1)CC	PC-id_64147931	311.423	XPRGZCXXHUHMIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069918
s1c2c(CCC2)c(c1NC(=O)NCCC[NH+](C)C)C(=O)N	PC-id_8029968	311.423	GMKKKSHHNSCUNA-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-069919
s1c2CCCc2nc1NC(=O)C1(CCOCC1)C(=S)N	PC-id_61837202	311.423	HTIBWFAXNSIHGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069920
C1CCC2(CC1)N(CCc1c2nc[nH]1)Cc1cc2n(n1)CCC2	EMOLS-id_319150750	311.425	CGAKHFOVYUMWQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069921
C1CCCN(CC1)c1ccc(cn1)CNC1CCn2c1ncc2	MCULE-1901492800,EMOLS-id_318085368	311.425	MHXOXUBTRBMFPZ-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-069922
c1(CN2CCN(CC2)c2cccc(C)c2C)nnc2CCCn12	MCULE-2545115118,EMOLS-id_330980642,PC-id_155981087,ZINC22_1889096250	311.425	NPGMGJKCSXVDJO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069923
CC1CC(c2n1ccn2)NCc1ccc(nc1)N1CCCCC1	MCULE-3224370139,EMOLS-id_318365490	311.425	SBGLIEMSAPXKMT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069924
CC1CC(c2n1ccn2)NCC1CCN(CC1)c1ccncc1	EMOLS-id_318116752,MCULE-3028826385	311.425	FVKVQRBMPCWJLP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069925
CC1CC(c2n1ccn2)NCc1ccnc(c1)N1CCCCC1	EMOLS-id_318362163,MCULE-5494935553	311.425	LDMXCVGMQBSWJV-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069926
CC1CC(c2n1ncn2)Nc1cccc(c1)CN1CCCCC1	MCULE-1147212905,EMOLS-id_318388671	311.425	HSBVTIFXGQGEBE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069927
CC1CC(c2n1ncn2)Nc1cccc(c1)N1CCCCCC1	MCULE-5365530882,EMOLS-id_318605951	311.425	RNGRYVCSFBTENA-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-069928
CC1CC(c2n1ncn2)NCc1ccccc1N1CCCCC1	MCULE-2024786320,EMOLS-id_318678066	311.425	XNBIKNZKZCYYBT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069929
CC1CC(c2n1ncn2)NCC1CCCN(C1)c1ccccc1	MCULE-4019522144,EMOLS-id_318712997	311.425	YSTWTVVKDJEQCU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069930
Cc1ccc(cc1)CN1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318379157,MCULE-2977257317	311.425	LHABXMWRDJWWTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069931
CC1CCCCN1c1ncc(cc1C)NC1CCn2c1ncc2	EMOLS-id_318083326,MCULE-9366816270	311.425	XEGYVZGOZKLZQE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069932
Cc1ccc(c(n1)N1CCCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_318370872,MCULE-7408416122	311.425	ZHMQLTQFMGUBFV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069933
CC1C(CCN1Cc1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_318539587,MCULE-6927215203	311.425	YTNIEQVOQVAJAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-069934
Cc1cccnc1C1CCCC(C1)NCc1nnc2n1CCC2	MCULE-6753940133,EMOLS-id_318631721	311.425	LSWTXJUAGZJOLM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069935
Cc1cc(CNC2CC(n3c2ncc3)C)cc(n1)N1CCCC1	MCULE-1167266774,EMOLS-id_318002690	311.425	GRJWDYLHHREOSY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-069936
CC1CCN(CC1)c1cccc(c1)NC1CC(n2c1ncn2)C	EMOLS-id_318543260,MCULE-2579117072	311.425	KPYJACWEXAKQGJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069937
CC1CCN(CC1)c1ccc(cn1)CNC1CCn2c1ncc2	MCULE-1038146638,EMOLS-id_318199274	311.425	KQJYEDJIMXXMRW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069938
CC(c1cc2n(n1)CCC2)Nc1ccc(cn1)N1CCCCC1	MCULE-2482840012,EMOLS-id_318187539	311.425	IUNFWJZHLUYPQN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069939
CC(c1cc2n(n1)CCC2)Nc1ccc(nc1)N1CCCCC1	EMOLS-id_318101240,MCULE-6090087953	311.425	LJAFKAHFNAQULY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069940
CC(c1cccc(c1)N1CCCC1)NC1CC(n2c1ncn2)C	EMOLS-id_318386641,MCULE-2473747412	311.425	TYTRLVBCTVXTCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-069941
CCc1ccc([C@@H]2CNCCN2Cc2nnc3n2CCC3)cc1	ZINC22_2325774118	311.425	APIBBXTWAFTKNQ-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069942
CCc1ccc([C@H]2CNCCN2Cc2nnc3n2CCC3)cc1	ZINC22_2325774119	311.425	APIBBXTWAFTKNQ-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069943
CC(c1nn2c(c1)CCC2)NC1CCN(CC1)c1ccncc1	EMOLS-id_318763525,MCULE-4316927712	311.425	GKGMEESWDFXIJN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069944
CC(c1nnc2n1CCC2)NC1CCCC(C1)c1cccnc1	MCULE-6544446089,EMOLS-id_318674685	311.425	CKNZHBNQTBZYHG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-069945
CN1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-9200346630,EMOLS-id_318056994	311.425	CDRBYSNYFLWAGP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-069946
CN1CCN(CC1)c1ccccc1NCc1cnc2n1CCC2	MCULE-7676832563,EMOLS-id_318662783	311.425	RMNPQJMNNGOESJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-069947
CSCCC1NC(=S)N(C1=O)Cc1nnc2n1CCC2	EMOLS-id_24061916,MCULE-1379298376,PC-id_42951045	311.426	FGYIDGFBGOPVHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069948
CSCC[C@H]1NC(=S)N(Cc2nnc3n2CCC3)C1=O	CoCoCo_4752505,ZINC22_32778510,PC-id_40010865	311.426	FGYIDGFBGOPVHQ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069949
CSCC[C@@H]1NC(=S)N(Cc2nnc3n2CCC3)C1=O	ZINC22_32778509,PC-id_40010864,CoCoCo_4752506	311.426	FGYIDGFBGOPVHQ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069950
CC(C)(C)C(CCNC(=O)c1c(c2c(s1)CCC2)OC)O	PC-id_91956506	311.44	ODWSSFOMCMUVAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069951
CCOC(=O)C1CCc2c1nc(s2)C(C(C)(C)C)OCC	PC-id_116705343	311.44	ATBLPNWBIWVGGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069952
CCOC(=O)C1CCc2c1nc(s2)C(OCC)(CC)CC	PC-id_116744611	311.44	FMIFNGJYTMTGBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069953
s1c2c(CCC2)cc1CNCC(O)COCC1OCCC1	PC-id_61208558	311.44	GRKYDUUHCGBNLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-069954
O=C(c1cc2c(s1)CCC2)N1CCC(c2ccccc2)CC1	PC-id_39580788,MCULE-6552388597,ZINC22_32366649,EMOLS-id_33343803	311.441	DHYPKXWAGXKBME-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-069955
CC1CC(c2n1ccn2)NCC1(CCCCC1)S(=O)(=O)C	EMOLS-id_318285629,MCULE-8127114383	311.443	MDTGYRULGZZZJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069956
CC1CC(c2n1ccn2)NS(=O)(=O)CC1(C)CCCCC1	EMOLS-id_101318440	311.443	UJUIXMGZNRJDNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069957
CC1CC(c2n1ccn2)NS(=O)(=O)CCC1CCCCC1	EMOLS-id_101317264	311.443	BMFVSJADBROGHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069958
CC1(CCCCC1)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319750145	311.443	UNFHMNPRLCQJFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069959
CC1(C)CCC(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100209304	311.443	HKHICKOEACSMJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069960
CC1(CCCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221565	311.443	OZSSDBCKKXVHFI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-069961
CC1(C)CCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101307066	311.443	FGATYQPBQQQYOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069962
CC1CC(C)CC(C1)S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319499292	311.443	LBVGWZYQNZMBMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069963
CC1CC(C)CC(C1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318768944	311.443	UTTAMXXWTODNBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069964
CC1(C)CN(CC(C1)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100215643	311.443	ABILTXJGKCIXHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069965
CC(C1CCCC1)(CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100243105	311.443	XQHFQVUWIKWGRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069966
CCC1CCC(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100186488	311.443	YKPPOTRUUUURMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069967
CCC1(CCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100237672	311.443	ODPOBLUCDBYPMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069968
CCC1CCCCC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101326863	311.443	CNJJOPILILQQFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069969
CCC1(CC)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100489071	311.443	CLWADTPZFDLXKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069970
CC(C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100367931	311.443	DYHAZPZQJHQIMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069971
CC(C1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100224730	311.443	BENBAWHWPUAWSX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-069972
CC(C1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100594972	311.443	YENKIKFXUCQXPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069973
CC(C1C(CN1S(=O)(=O)c1cnc2n1CCC2)C(C)C)C	EMOLS-id_101306826	311.443	IGGONEHRWWZOGU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-069974
CC(C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100070559	311.443	NGYMLTYVECJJTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069975
CCCC1C(C)CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242754	311.443	CZTDRPWIKGOCMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069976
CCC(C1CCCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100205278	311.443	CHEXWTDFKDXVOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069977
CC(CC1CCCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100233754	311.443	XPOSMYIEFWTMAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069978
CC(CC1(C)CCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101307837	311.443	OKZNOHLKZVKCHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069979
CCCC1(C)CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100215892	311.443	KDENZSJTZKREME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069980
CC(CC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100206922	311.443	OQGIKFXIZALIHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069981
CC(CCC1CCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100231387	311.443	FNZKLBIRYKGSPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069982
CCCC(C1CCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100231390	311.443	CNYRWRBVFPCHGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069983
CC(CC(Nc1nc2c(s1)CCC2C(=O)O)CN(C)C)C	PC-id_104288184	311.443	SRYROBVXLLETBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069984
CCCCN(CC(=O)Nc1nc2c(s1)CCC2)CCCO	PC-id_109973442	311.443	RKZIGVSRUNCQNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069985
CCC(C(=O)Nc1n(nc2c1CS(=O)C2)C(C)(C)C)CC	Chemmine_40483,PC-id_756283,ChEMBL-DNDi_CHEMBLF0561-0226	311.443	AVVVCGBJNLZVPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069986
CCC(C(=O)Nc1n(nc2c1C[S@](=O)C2)C(C)(C)C)CC	CoCoCo_4985067	311.443	AVVVCGBJNLZVPJ-NRFANRHFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069987
CCC(C(=O)Nc1n(nc2c1C[S@@](=O)C2)C(C)(C)C)CC	CoCoCo_4985068	311.443	AVVVCGBJNLZVPJ-OAQYLSRUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069988
CC(CN1CCOCC1)(CNCc1sc2c(n1)CCC2)O	PC-id_109948663	311.443	ZREXLWLEXKFYKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069989
CC(CN(c1nc2c(s1)CCC2C(=O)O)CCN(C)C)C	PC-id_104288107	311.443	MRXDXJYBFMHXRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069990
CCCN(Cc1c2CCCc2nn1C)C1CCS(=O)(=O)C1	PC-id_136568089	311.443	VEQCICYZNCKWGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069991
CC(CN(S(=O)(=O)c1cnc2n1CCC2)C1CCCC1)C	EMOLS-id_100192758	311.443	ZYKWEYPQUYUUMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069992
C[C@@H](NS(=O)(=O)c1cnc2n1CCC2)CC1CCCCC1	EMOLS-id_100517780	311.443	PALIHKYYLXVBHX-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-069993
CCOC(=O)C1CCc2c1nc(s2)NCCCCN(C)C	PC-id_104288246	311.443	AVPBVFLRQPCAQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069994
CCOC(=O)C1CCc2c1nc(s2)NC(CCN(C)C)C	PC-id_104288395	311.443	ARASDOSGTGSVSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069995
CCOC(=O)C1CCc2c1nc(s2)N(CCCN(C)C)C	PC-id_104288803	311.443	JIVYKZJIORYNFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069996
CCOC(=O)C1CCc2c1nc(s2)NCCN(CC)CC	PC-id_104287483	311.443	NXDWBINABMWEPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069997
CCOC(=O)C1CCc2c1nc(s2)NCC(N(C)C)(C)C	PC-id_104288506	311.443	BBRWOZPMJIVUSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069998
CCOC(=O)C1CCc2c1nc(s2)NCCN(C(C)C)C	PC-id_104288596	311.443	DKSUMTSSRVXSJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-069999
CCS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110009	311.443	FHGMMXLJOMSVDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070000
CN(C(C)C)CCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_104288265	311.443	AVNWUIOBRRSTNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070001
CN(S(=O)(=O)c1cnc2n1CCC2)CCC1CCCCC1	EMOLS-id_100197078	311.443	SVKZACOQVICSOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070002
OCCN(Cc1sc2c(n1)CCC2)CCN1CCOCC1	PC-id_109974702	311.443	XCNAVAGNYVXADX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070003
OC(CN(Cc1sc2c(n1)CCC2)C)CN1CCOCC1	PC-id_109975053	311.443	AXDCXGSXLRQJHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070004
OC(=O)C1CCc2c1nc(s2)NCCN(C(C)C)C(C)C	PC-id_104287494	311.443	AWOYMBBBBQMKTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070005
Cc1nc(S)sc1CC(=O)Nc1nc2c(s1)CCC2	PC-id_47142721,ZINC22_41837941,EMOLS-id_75944545	311.446	YSJAPRWOWBMFKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070006
s1c2CCCc2cc1C(=O)Nc1sc(SCC)nn1	PC-id_8362296	311.446	GECRPHZLARWNGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070007
CC(=O)O[C@@H]1CCn2c1c(CO[Si](C(C)(C)C)(C)C)nn2	CoCoCo_5683557	311.452	GGGPFXWZPAAYBK-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070008
CC(=O)O[C@H]1CCn2c1c(CO[Si](C(C)(C)C)(C)C)nn2	NSC625781,CoCoCo_5683556	311.452	GGGPFXWZPAAYBK-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070009
[Si](OCc1nnn2c1C(OC(=O)C)CC2)(C(C)(C)C)(C)C	PC-id_362190	311.452	GGGPFXWZPAAYBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070010
CCOC(=O)C1CCc2c1nc(s2)CSC1CCCC1	PC-id_104287127	311.463	ZIVSOUUPWUWCLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070011
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCCSC1	EMOLS-id_102003708	311.466	GBRUKSXRCBVGSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070012
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCSCC1	EMOLS-id_102001911	311.466	LTWLZLKCSCSENT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070013
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CSC(C1)C	EMOLS-id_102012703	311.466	JLQOSDMJFHOYAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070014
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CSCC1	EMOLS-id_102008811	311.466	RSMFZIKJTCSDKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070015
s1c2CCCc2cc1C(=O)NNC(=S)NCCC(C)C	PC-id_9149881	311.466	XISZIKIILRXLTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070016
s1c2CCCc2cc1C(=O)NNC(=S)NCCCCC	PC-id_9187636	311.466	HMWQUPKEDHGVBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070017
[Si](c1n2c(C=[N+](C(C)(C)C)C2=O)cc1)(c1ccccc1)(C)C	PC-id_20783825	311.474	UGANNUWWKXCFLZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-070018
s1c2c(CCC2)cc1CNCC(O)COCCCCCC	PC-id_61207783	311.483	ATAHKSSYYCLQEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070019
s1c2c(CCC2)cc1CNCC(O)COCCCC(C)C	PC-id_61207972	311.483	PLPYOZOLYQESGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070020
s1c2c(CCC2)cc1CNCC(O)COC(CC(C)C)C	PC-id_61208163	311.483	GRBQQCYXCLTMEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070021
[Si](c1n2C[N+](=Cc2cc1)Cc1ccccc1)(CC)(CC)CC	PC-id_23380170	311.517	XTOHQOUQFUPLBB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-070022
Brc1ccc(cc1)Cn1nc2c(c1Cl)CCC2	EMOLS-id_41631754,PC-id_66014304	311.605	NQPWVNMTMBMFOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070023
Brc1cccc(c1)Cn1nc2c(c1Cl)CCC2	EMOLS-id_41631776,PC-id_66015912	311.605	BZNKFJAQIOMZNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070024
Brc1ccccc1Cn1nc2c(c1Cl)CCC2	PC-id_66014508,EMOLS-id_41631798	311.605	OVDIRNBPEZTSGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070025
OC(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F	SCHEMBL19610014	311.696	PHKPAKIEJKEXCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070026
OC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F	SCHEMBL19583825	311.696	PHKPAKIEJKEXCF-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-070027
O=C(c1ccc(c(c1F)Cl)F)NCc1cnc2n1CCC2	EMOLS-id_319875589	311.714	ARTLONOBPNQCMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070028
O=C(c1ccc(c(c1F)Cl)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318915904	311.714	WXSIDZLDGTYFOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070029
O=C(c1ccc(c(c1F)F)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_318824040	311.714	OJZNMBSDOWJELI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070030
O=C(c1ccc(c(c1F)F)Cl)Nc1n(C)nc2c1CCC2	EMOLS-id_319601485	311.714	RWBDTSHJXOBREQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070031
O=C(c1ccc(c(c1F)F)Cl)NCc1cnc2n1CCC2	MCULE-8613613088,EMOLS-id_320176547	311.714	MIHYIXUPUXHGBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070032
O=C(c1ccc(c(c1F)F)Cl)NCc1nn2c(c1)CCC2	EMOLS-id_320048353,MCULE-2229792782	311.714	JGZDSXDYHMTECN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070033
O=C(c1cc(F)c(cc1Cl)F)NCc1cnc2n1CCC2	EMOLS-id_319008033	311.714	YVHPZGMJNNZAPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070034
O=C(c1cc(F)c(cc1Cl)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319220913	311.714	KFIDGAAXJZSGTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070035
O=C(c1cc(F)c(cc1F)Cl)NCc1cnc2n1CCC2	EMOLS-id_319548157	311.714	NIRNPCXOHVZQEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070036
O=C(c1cc(F)c(cc1F)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319839828	311.714	WNAKSGCBLAIZGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070037
O=C(c1c(F)ccc(c1Cl)F)NCc1cnc2n1CCC2	EMOLS-id_319019222	311.714	SPCQFOIBTYJECE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070038
C1COc2c(c(nn12)C(=O)NCCC(c1ccco1)O)Cl	PC-id_91960008	311.721	UPNPFPKWWODGFW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-070039
Clc1oc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)cc1	PC-id_43328005	311.741	VTVFDJDABZUFLZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070040
OC(=O)c1c(sc2c1CCC2)NC(=O)c1ccoc1Cl	PC-id_106683332	311.741	VCOSNEZWSMNNMW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070041
Clc1ccc(SCC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	PC-id_11266937	311.744	WIXCEVMLUMCBIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070042
Clc1ncc(CN2CCn3c2c(sc3=N)[N+](=O)[O-])cc1	PC-id_76315508	311.747	PTXSRGPVYBZSED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070043
ClCCN(C(=O)c1sc2c(c1)CCC2)CC(F)(F)F	PC-id_113965984	311.751	ZTBIGHWYNIGLBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070044
Clc1sc2CCC(Nc3cc(ccc3F)C(=O)O)c2c1	PC-id_81251843	311.759	LXYNZSLYRJXKCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070045
Clc1sc2CCC(Nc3cc(c(F)cc3)C(=O)O)c2c1	PC-id_81251726	311.759	CBPGQFBIVPBWKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070046
OC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1Cl)F	PC-id_104287339	311.759	KWTTWVONBQZIEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070047
OC(=O)C1CCc2c1nc(s2)Cc1cccc(c1F)Cl	PC-id_104287285	311.759	XEUASSXJGOBHRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070048
OC(=O)C1CCc2c1nc(s2)Cc1c(F)cccc1Cl	PC-id_104287360	311.759	VOTWUHLFZBZFMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070049
c1(NC(=O)c2c(cccc2Cl)F)n(C)nc2CSCc12	MCULE-1587958151,EMOLS-id_334566323	311.762	TYNBTWYZPRGMEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070050
c1(NC(=O)c2cccc(Cl)c2F)n(C)nc2CSCc12	EMOLS-id_316275216,ZINC22_1506404489,MCULE-4325672641	311.762	YJNPAURKBLKMPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070051
O=C1c2sc(nc2NC1(C)C)Nc1ccc(c(c1)Cl)F	PC-id_145562323	311.762	OQEMYQKXTXDLQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070052
O=C(c1nccc(c1F)Cl)NCc1sc2c(n1)CCC2	EMOLS-id_318626722	311.762	SNISDVBVSCWFRQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070053
c12[nH]c(=O)sc1C(C(=O)S2)C(=O)c1ccc(cc1)Cl	MCULE-8641282281,PC-id_16443901	311.764	YXISCCSHNYHDHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070054
O=C1Sc2[nH]c(=O)sc2[C@@H]1C(=O)c1ccc(Cl)cc1	PC-id_98161681,ZINC22_101027676	311.764	YXISCCSHNYHDHH-ZETCQYMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070055
O=C1Sc2[nH]c(=O)sc2[C@H]1C(=O)c1ccc(Cl)cc1	ZINC22_101027674,PC-id_98161680	311.764	YXISCCSHNYHDHH-SSDOTTSWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070056
Cc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)Cl	EMOLS-id_316653128	311.787	OFQZNAKLPDRONY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070057
Clc1cccc(c1)CCS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316460878,MCULE-5700293293	311.787	RJFLBPAIBGUQQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070058
Clc1cc(ccc1C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318369147	311.787	UZWHZDZSAHFKNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070059
Clc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_316471658,MCULE-2633172791	311.787	RMTIMVPTOQLQBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070060
Clc1ccccc1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318447181	311.787	PJVLQYKDHZYXJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070061
Clc1cccc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318454198	311.787	OJZRZTLLMPGVAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070062
Clc1ccc(cc1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318713882	311.787	LKUQZSILUDNKFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070063
Clc1cccc(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318528409	311.787	USEPGECCSYAGJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070064
Clc1ccc(cc1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318539228	311.787	SGPGUPLDVHMZAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070065
Clc1ccccc1S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318625295	311.787	UMDYXISKEPDKRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070066
Clc1ccccc1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319559639	311.787	VCCCDBDOBMZCEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070067
Clc1ccc(cc1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319769720	311.787	HSQVSQYGUDFKCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070068
Clc1cccc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-9390071740,EMOLS-id_320173793	311.787	BYVXUABTPMCXNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070069
c1(C(=O)NCCc2sc3c(CCC3)n2)n[nH]c(N)c1Cl	PC-id_91772399,MCULE-5282512694,ZINC22_219656195,EMOLS-id_55637904	311.79	QGISJPCWRUHPNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070070
Cn1nc(C(=O)NCCc2nc3c(s2)CCC3)nc1Cl	MCULE-8134660822,ZINC22_1857689153,EMOLS-id_323978072,PC-id_145936416	311.79	HEPBIEZCMXRMMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070071
O=C(N(Cc1nnc2n1CCC2)C)Nc1csc(c1)Cl	EMOLS-id_318510182	311.79	RZYFMCQAWDGBMW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070072
O=C(N(Cc1nnc2n1CCC2)C)Nc1cscc1Cl	EMOLS-id_318747242	311.79	WFVYPSQPHSLOGS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070073
CCOc1ccc(cc1F)NC1CCc2c1cc(s2)Cl	PC-id_104325705	311.802	MOSBLXYYEOFCPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070074
Clc1sc2CCC(Nc3c(OCC)cc(F)cc3)c2c1	PC-id_81252283	311.802	YWDJQYPXHXQTFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070075
c12CN(Cc1nn(CC1CCC1)c2Cl)C(=O)OC(C)(C)C	EMOLS-id_324343393,MCULE-4273747027	311.807	VKZMICWWOHBIBL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-070076
c12CN(Cc1nn(CC1CCCCC1)c2Cl)C(=O)OCC	MCULE-4761990670,EMOLS-id_324345440	311.807	JZWYOUKFEAVDII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070077
N#Cc1c(NCCc2cn3c(n2)SCC3)snc1Cl	MCULE-9594053616,EMOLS-id_318550393	311.814	UKJWUQFWGKNRME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070078
N#Cc1nc(sc1Cl)NCCc1nc2n(c1)CCS2	MCULE-2031043854,EMOLS-id_318634489	311.814	MCEKEPFEHPYZLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070079
N#Cc1sc(nc1Cl)NCCc1nc2n(c1)CCS2	MCULE-2879219489,EMOLS-id_318435029	311.814	HEWAEMJXBVWAID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070080
Clc1sc2c(C(NCCCOCc3occc3)CC2)c1	PC-id_81252271	311.827	HBSDAQCYBYFNIW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070081
CC1(CSC2=C1SC=C2Br)Br	PC-id_147011230	311.828	ATXCLUUASHDQEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070082
Cc1nn(cc1CNC1CCc2c1cc(s2)Cl)CCO	EMOLS-id_319735671	311.83	RMZXEETTYISNFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070083
COc1cn(nc1C(NC1CCc2c1cc(s2)Cl)C)C	EMOLS-id_319247628	311.83	IZILDWXPYHRRDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070084
COCCn1ncc(c1C(c1sc2c(c1)CCC2)N)Cl	PC-id_105054479	311.83	UNVZHKJGDXAAGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070085
Clc1cnc(s1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_107124771	311.853	SVZUTPRRZKVLKU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-070086
CSc1nc(NCc2sc3c(c2)CCC3)cc(n1)Cl	PC-id_106194076	311.853	OKSLNXNYDJCUKA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-070087
ClCC1(CCCCC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_103969614	311.87	HUEVXUDAQIFANP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070088
ClCC1(CCCC(C1)C)NC(=O)c1sc2c(c1)CCC2	PC-id_114303983	311.87	ZWWRSFXLMGVVHH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070089
ClCC1(CCC(CC1)C)NC(=O)c1sc2c(c1)CCC2	PC-id_114304240	311.87	LYPFHVCFONHEHS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070090
ClCC1CCCCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_114306981	311.87	PPGAEQPPDJIKAX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070091
ClCCN(C1CCCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_63391752	311.87	OJDYPCUXJBVJOY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070092
CCNC(c1sc2c(c1)CCC2)Cc1ccc(s1)Cl	PC-id_115841842	311.893	SSHJSVJSDWVZOX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070093
CCNC(c1sc(c(c1)C)Cl)c1sc2c(c1)CCC2	PC-id_102763839	311.893	JYKSNLMMPQSNTH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070094
Clc1c(scc1)C(NCCC)c1sc2c(CCC2)c1	PC-id_80529429	311.893	MOWMKJPULUISLP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070095
Clc1sc2c(C(NC(c3c(sc(c3)C)C)C)CC2)c1	PC-id_81252061	311.893	QXGDUVHAFOFJAT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070096
Clc1sc2c(C(NCC(c3sccc3)(C)C)CC2)c1	PC-id_81252612	311.893	LOQXAAXYQLTCJJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070097
Clc1sc2c(C(NC(Cc3sc(cc3)C)C)CC2)c1	PC-id_81252919	311.893	PIZIZSGLWLYNTP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070098
Clc1sc2c(C(NC(CCC)c3sccc3)CC2)c1	PC-id_81252071	311.893	XRCYKFPRKXLVSC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070099
Clc1sc2c(C(NC(C(C)C)c3sccc3)CC2)c1	PC-id_81252686	311.893	KBVYLGUSURZVME-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070100
Clc1sc(C(NCCC)c2sc3c(CCC3)c2)cc1	PC-id_43496943	311.893	KRPLROBCTHGGPS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-070101
Clc1sc2c(c1)C(CC2)NC1CC(C)(C)CC(C1)(C)C	PC-id_103965641	311.913	YCJCAZSQSCRSMU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070102
Clc1sc2c(C(NC3C(CCC(C3)C)C(C)C)CC2)c1	PC-id_81252484	311.913	BSEIJMWLKVRASR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070103
Clc1sc2c(C(NC3C(C(C)(C)C)CCCC3)CC2)c1	PC-id_81251408	311.913	KVYDPGSHNCZLNP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070104
Clc1sc2c(C(NCC3(CCCC3)CC(C)C)CC2)c1	PC-id_81251436	311.913	FSELEUXDUIFUEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070105
Brc1sc(Br)c2C(=O)OC(=O)c12	EMOLS-id_48575506,PC-id_71721475,MCULE-8759611470,SCHEMBL15902630	311.935	OQMJQMGTDSIYNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070106
CC1=C2N(CCO2)N=C1COPI	PC-id_155019647	311.952	ANYNRBSEUWUPGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070107
Brc1sc(Br)c2c1C(O)CC2=O	SCHEMBL75837,PC-id_400221	311.978	LHDVRMUFRJUZPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070108
O=C1C[C@H](c2c1c(Br)sc2Br)O	CoCoCo_5778847,NSC711739	311.978	LHDVRMUFRJUZPP-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070109
O=C1C[C@@H](c2c1c(Br)sc2Br)O	CoCoCo_5778848	311.978	LHDVRMUFRJUZPP-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070110
C1Cc2nc(SSc3nc4c(s3)CCC4)sc2C1	PD137049,PC-id_137634660,BindingDB_PC-id_137634660	311.99	BUUKMYSHPSEDRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070111
Brc1sc(Br)c2[C@H](N)C[C@H](N)c12	CoCoCo_5770702,PC-id_11036425	312.025	AGOSPOJAHAQBDE-WSOKHJQSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070112
Brc1sc(Br)c2C(N)CC(N)c12	PC-id_396936	312.025	AGOSPOJAHAQBDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070113
N[C@@H]1C[C@H](c2c1c(Br)sc2Br)N	CoCoCo_5770701	312.025	AGOSPOJAHAQBDE-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070114
N[C@H]1C[C@@H](c2c1c(Br)sc2Br)N	CoCoCo_5770703	312.025	AGOSPOJAHAQBDE-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070115
COC(=O)c1[se]c2c(c1F)C[Se]C2	PC-id_140642297	312.058	BUFNZDQHRHYHDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070116
COC(=O)C1=CC2=C(N1C(=O)[O-])CC(C2=O)CC3=CC=CC=C3	PC-id_154199304	312.088	YQKOPRNDDATMNJ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-070117
CC1CCc2c1c(I)nn2CC(F)F	MCULE-5604383950,EMOLS-id_330985204	312.098	VVZBBLHWDDFVBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070118
CC1CCc2nn(CC(F)F)c(I)c12	EMOLS-id_330966454,MCULE-8624046040	312.098	AXPJTVSONPYASN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070119
CC/C=C/1C(=C/C2=CCC3=C2SC=C3)CC(=C1SC)C=C	PC-id_155220951	312.101	KYWWXPFZYAKWSF-UBDQFXCLSA-N	00000011100000000000000010000000000000000000000000000000	25-01-070120
CC1=CC=C2N1C(=C=O)N(C2CC(=O)OC3=CC=CC=C3)OC	PC-id_162355923	312.111	ITOBWHMWPQDXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070121
CC1=CN2C(=C1)CN(C2=O)CC[C@](C)(C(=O)C)S(=O)(=O)C	PC-id_161202176	312.114	ZCYRPJYGWHFVCY-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070122
CCC(=O)C1=C(SC2=C1CCC2)CC(=O)C3=CC=C(C=C3)C	PC-id_161225263	312.118	UOXHDEZHUFBBCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070123
Brc1noc(c1)C(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_316550433	312.123	PLOQPVDRVMNKFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070124
c12CN(Cc1nn(C(C)C)c2Br)CC(F)(F)F	EMOLS-id_324341355,MCULE-2541551957	312.13	NBRPHAKZCCNDON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070125
O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2)CC1	BindingDB-id_76248,SCHEMBL13856629,PD107178,BindingDB_PC-id_2472264,CHEMBL1518838,PC-id_2472264,ZINC22_3355025	312.13	HORPGCYDIQJZNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070126
C[C@@]1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(=NC)C1)F	PC-id_163889378	312.135	QAGAWYXJUVLUTD-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070127
Brc1ccc(cc1F)OCc1nnc2n1CCC2	EMOLS-id_320076453,MCULE-2025565473	312.138	LBOYTRKPQPPIFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070128
CC(CC1=CC(=CC=C1)F)C(=O)NC2=C(N3CCCC3=N2)C#N	PC-id_154788436,EMOLS-id_317738458,MCULE-4379978974	312.139	HDXKOKJEXJDCDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070129
Brc1cnc(c(c1)F)NCc1nnc2n1CCC2	EMOLS-id_318680614,MCULE-5725910170	312.141	WBZSCAUSVFPLIU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070130
c1(C(=O)O)c2CSCc2sc1I	MCULE-1593882258,EMOLS-id_331061548	312.148	ITABKVGQRILXCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070131
c1(C(=O)O)sc2CSCc2c1I	MCULE-3212961006,EMOLS-id_330874179	312.148	RIPUBQCXFGGWJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070132
B(O)(O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328065479,MCULE-6923909703	312.151	ZBFRTUAWQRLAIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070133
Clc1ccc(c(c1)Cl)OCC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317945993	312.151	ZXGINIYKTPFUEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070134
Clc1ccc(c(c1)OCC(=O)N1Cc2c(C1)cn[nH]2)Cl	EMOLS-id_317919898	312.151	SAOWZQQXKGKLNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070135
O=C(c1nn2c(c1)OCC2)NCc1cccc(c1Cl)Cl	EMOLS-id_318584166	312.151	QMSPPNPELBUFTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070136
O=C(c1nn2c(c1)OCC2)NCc1c(Cl)cccc1Cl	EMOLS-id_318627010	312.151	VVGIRCKNJSIDQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070137
O=C(NCc1nnc2n1CCC2)c1nc(Cl)ccc1Cl	CoCoCo_4658155,PC-id_45806285,ZINC22_40490020	312.155	UCGRJXRQSCQKAW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070138
C1CC2=C(C1)NN=C2C(=O)NC3=CC=C(C=C3)C4CNCCO4	PC-id_164898274	312.159	RLIODGAZZNJCNX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070139
CC1=C(C=CC=C1N2CCOC2=O)NCC3=NN4CCCC4=C3	EMOLS-id_317264379,PC-id_154763570,MCULE-3537912424	312.159	YRCAJTWFERXMCU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070140
BrC[C@@H](O)[C@H](N)C(=O)c1n2CCC(c2cc1)C#N	SCHEMBL11586926,PC-id_70616315	312.162	OGHNFYVSTFKAGS-RFSDDRETSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070141
BrCC(O)C(N)C(=O)c1n2CCC(c2cc1)C#N	PC-id_77883399	312.162	OGHNFYVSTFKAGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070142
Br[C@](O)([C@H](N)C(=O)c1n2CCC(c2cc1)C#N)C	SCHEMBL11594674,PC-id_70617642	312.162	ARKDFBNFJHIQOI-VBPORKNPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070143
BrC(O)(C(N)C(=O)c1n2CCC(c2cc1)C#N)C	PC-id_77883618	312.162	ARKDFBNFJHIQOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070144
Cc1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324842208	312.174	HNWFZSMFNBPWNS-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070145
Cc1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324837615	312.174	OSRPEPIYUPKPSP-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070146
Cc1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324839919	312.174	CGKSRQUZSPYGHG-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070147
Cc1nnc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n12	ZINC22_9187948	312.174	SQZYDFGKTAVNFJ-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070148
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)C	MCULE-3039129444	312.174	HNWFZSMFNBPWNS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070149
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)C	MCULE-4076853126	312.174	OSRPEPIYUPKPSP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070150
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)C	MCULE-3701621012	312.174	CGKSRQUZSPYGHG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070151
Brc1ccc(/N=c/2sc(=O)n3n2CCC3)cc1	PC-id_76334738	312.186	XAEKAAGPEJEPDK-RAXLEYEMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070152
Brc1cc([nH]c1)C(=O)Nc1sc2CCCc2n1	EMOLS-id_314110178,PC-id_33040503	312.186	CVNSZXRNPUUOFF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-070153
Brc1nnn(c1C(=O)c1sc2c(c1)CCC2)C	PC-id_106464314	312.186	WEBYHLAPSCHQJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070154
Nc1nc(Nc2sc3c(n2)CCC3)nc(c1)Br	PC-id_116796703	312.189	UKPHAHYIQZJDRL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-070155
COc1cc(Cl)c(cc1NCc1cnc2n1CCC2)Cl	MCULE-9220918996,EMOLS-id_318177125	312.194	KBPNSNOSIHHUGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070156
COC[C@@H](C1CC1)NC2=CC=C(C=C2)CC3=NN=C4N3CCC4	PC-id_164630694,ZINC22_188602389	312.195	VMLBWZWXKCZFSO-INIZCTEOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-070157
CC(c1nnc2n1CCC2)NCc1c(Cl)cncc1Cl	MCULE-6085050964,EMOLS-id_318724738	312.198	VMBKIHLDQXHNJJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070158
Clc1ccc(c(c1)Cl)C(=O)NC1Cc2c(C1)ccs2	SCHEMBL2458262,PC-id_21955860	312.214	MFXHUMWYKKXVMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070159
Clc1c(C(=O)NC2Cc3c(scc3)C2)cccc1Cl	PC-id_21955853,SCHEMBL2460515	312.214	BZMMKEDEAYXHEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070160
Clc1c(NC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_29203510	312.214	KMMOXWJSQVDPOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070161
Clc1sc(c2c1[C@H](NCc1ccccc1)CC2=O)Cl	CoCoCo_5770705	312.214	JEAQIQHZRSZYRC-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070162
Clc1sc(c2c1[C@@H](NCc1ccccc1)CC2=O)Cl	NSC704119,CoCoCo_5770704	312.214	JEAQIQHZRSZYRC-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-070163
Clc1sc(Cl)c2c1C(NCc1ccccc1)CC2=O	PC-id_396937	312.214	JEAQIQHZRSZYRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070164
Nc1c(C(=O)c2cc(Cl)c(Cl)cc2)c2c(CCC2)s1	ZINC22_19776231,PC-id_28337439,EMOLS-id_48543646,MCULE-6592253053,SCHEMBL4063695	312.214	OMFQKLVWOFFERI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070165
O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2c(s1)CCC2	CoCoCo_3332638,EMOLS-id_43845930,PC-id_17566669,MCULE-5866581924,ZINC22_14181977	312.214	USJBSCFGIQARPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070166
Clc1c(C[NH2+]C(c2n3CCCc3nn2)C)cccc1Cl	PC-id_75694749	312.218	QANVSHUIQXJUNA-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-070167
Clc1c(C[NH2+]C(c2n3CCCc3nn2)C)ccc(Cl)c1	PC-id_75694750	312.218	BFNVRTRZIJMFIZ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-070168
Clc1c(C[NH2+][C@H](c2n3CCCc3nn2)C)cccc1Cl	PC-id_51683318	312.218	QANVSHUIQXJUNA-VIFPVBQESA-O	00000010100000110001000010000000000000000000000000000000	25-01-070169
Clc1c(C[NH2+][C@@H](c2n3CCCc3nn2)C)cccc1Cl	PC-id_51683320	312.218	QANVSHUIQXJUNA-SECBINFHSA-O	00000010100000110001000010000000000000000000000000000000	25-01-070170
Clc1c(C[NH2+][C@H](c2n3CCCc3nn2)C)ccc(Cl)c1	PC-id_51683322	312.218	BFNVRTRZIJMFIZ-VIFPVBQESA-O	00000010100000110001000010000000000000000000000000000000	25-01-070171
Clc1c(C[NH2+][C@@H](c2n3CCCc3nn2)C)ccc(Cl)c1	PC-id_51683324	312.218	BFNVRTRZIJMFIZ-SECBINFHSA-O	00000010100000110001000010000000000000000000000000000000	25-01-070172
Brc1ccc(o1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138523,PC-id_61209318	312.225	NZXYFYQRKWECHB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070173
Brc1ccoc1CNCc1sc2c(c1)CCC2	PC-id_103675590	312.225	GTFKCXOVITUCFF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070174
Brc1oc(C(NC)c2sc3c(CCC3)c2)cc1	PC-id_80217963	312.225	BNSNKOBJVHFSKO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070175
Brc1sc2c(c1)C(CC2)NCCc1ccco1	MCULE-5304270289,EMOLS-id_317931030	312.225	DQIXLVXZCMWLFH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070176
Brc1sc2c(c1)C(CC2)NCCc1cocc1	EMOLS-id_317960017,MCULE-8046775186	312.225	HFKXJCLMLKDFHL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070177
CNC(c1occc1Br)c1sc2c(c1)CCC2	PC-id_113668055	312.225	NYEGNLXPHNZZSE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070178
Brc1ccc(s1)CCNC1CCn2c1ncc2	MCULE-6179901500,EMOLS-id_317918393	312.229	CWONOVSATMJIHO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070179
Brc1ccc(s1)CNC1CC(n2c1ncc2)C	MCULE-9369502434,EMOLS-id_317917049	312.229	ZODVPJMFTOWHDY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070180
Brc1ccc(s1)CNCc1cnc2n1CCC2	MCULE-4225793487,EMOLS-id_317946222	312.229	MMZBKTZYCVXQBT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070181
Brc1ccsc1CNC1CC(n2c1ncc2)C	MCULE-4317476634,EMOLS-id_317960816	312.229	VKXPOPJINAUGPE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070182
Brc1ccsc1CNCc1cnc2n1CCC2	EMOLS-id_317950374,MCULE-9228798232	312.229	OFANEKKDTPEBMF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070183
Brc1cnn(c1C(c1sc2c(c1)CCC2)N)C	PC-id_105053979	312.229	ZFHQGMLEJLNEPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070184
Brc1cnn(c1)CCNC1CCc2c1scc2	MCULE-5501426559,EMOLS-id_318437221	312.229	LVIFZCNTPKKNOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070185
Brc1cnn(c1CNC1CCc2c1scc2)C	MCULE-3649555716,EMOLS-id_318585459	312.229	WBXSMBJWLCZHTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070186
Brc1csc(c1)CNC1CC(n2c1ncc2)C	MCULE-2927751629,EMOLS-id_317956997	312.229	ZWLFTDCUFVQECI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070187
Brc1cscc1CNC1CC(n2c1ncc2)C	MCULE-7346473331,EMOLS-id_318420586	312.229	YITDXUGBIYBQCB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070188
Brc1csc(c1)CNCc1cnc2n1CCC2	EMOLS-id_317978983,MCULE-8834192418	312.229	DTKSAUKUXHYWMQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070189
Brc1sc2c(c1)C(CC2)NCc1nccn1C	EMOLS-id_317927447,MCULE-8690775769	312.229	UJHCRBOQZMBTAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070190
Brc1sc2c(c1)C(CC2)NCCn1cccn1	MCULE-7816767696,EMOLS-id_317951008	312.229	SZSLSFZBQDAULY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070191
Brc1sc2c(c1)C(CC2)NCCn1cncc1	MCULE-6418332480,EMOLS-id_317958676	312.229	YJGCMCNTTJFUCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070192
Brc1sccc1CNC1CC(n2c1ncc2)C	MCULE-2354470514,EMOLS-id_317954145	312.229	RXGKUERTPDVECU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070193
Brc1scc(c1)CNC1CC(n2c1ncc2)C	MCULE-9495297044,EMOLS-id_317923759	312.229	ZOXVKKFKJNAZDW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070194
Brc1sccc1CNCc1cnc2n1CCC2	EMOLS-id_317966958,MCULE-4536542368	312.229	WUYSXSMXTABUBG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070195
Brc1scc(c1)CNCc1cnc2n1CCC2	EMOLS-id_318391561,MCULE-8529626594	312.229	YWWJNTKINJJZLT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070196
CCn1ncc(c1)NC1CCc2c1cc(s2)Br	EMOLS-id_317950240,MCULE-9088284551	312.229	SKBJUXMJMUVXMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070197
Cn1cnc(c1)CNC1CCc2c1cc(s2)Br	MCULE-8421641130,EMOLS-id_318382187	312.229	VOAWNEFJFNQBJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070198
Cn1ncc(c1)CNC1CCc2c1cc(s2)Br	EMOLS-id_317950752,MCULE-9129278359	312.229	UMTYFYSFYMDFNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070199
COC(=O)OCc1c2c(c([nH]1)O)C(=NC2=O)COC(=O)OC	PC-id_136932194	312.232	YNMGEILMLKOEEX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-070200
FC(F)(F)Oc1ccc(NC(=O)c2noc3CCCc23)cc1	PC-id_3353807,ChEMBL-DNDi_CHEMBLC226-3269	312.244	KNZNRUMCBQUHOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070201
O=C(c1cc(c[nH]c1=O)C(F)(F)F)NC1CCn2c1ncc2	EMOLS-id_316627676	312.247	AWMHPBKIOUHRLE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070202
Clc1ccc(c(c1)CC(c1sc2c(c1)CCC2)N)Cl	PC-id_115862995	312.257	HUMQYTJJWRZSPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070203
Clc1ccc(c(c1)Cl)CC(c1sc2c(c1)CCC2)N	PC-id_115839924	312.257	DLYGTVOVYXSWFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070204
Clc1cc(CC(N)c2sc3c(CCC3)c2)ccc1Cl	PC-id_63047005	312.257	GKDKBDRGMXZKKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070205
Clc1cc(C(NC)c2sc3c(CCC3)c2)ccc1Cl	PC-id_43486441	312.257	KIBYYEXUWALEMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070206
Clc1cc(CNCc2sc3c(CCC3)c2)ccc1Cl	PC-id_61208930	312.257	GWWPWIBQYAEJHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070207
Clc1cc(CNCc2sc3c(CCC3)c2)cc(Cl)c1	PC-id_61207595	312.257	ICWDIDCVUIWNDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070208
Clc1c(CNCc2sc3c(CCC3)c2)cccc1Cl	PC-id_61209324	312.257	PEQKXXLULOKDTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070209
Clc1c(CNCc2sc3c(CCC3)c2)ccc(Cl)c1	PC-id_61208933	312.257	UIXKKNLKKSUQOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070210
Clc1c(C(NC)c2sc3c(CCC3)c2)ccc(Cl)c1	PC-id_61271011	312.257	DQQMVHZALQRRFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070211
Clc1c(C(NC)c2sc3c(CCC3)c2)cc(Cl)cc1	PC-id_43486614	312.257	LDUMYGIFGUOQPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070212
Clc1c(CNCc2sc3c(CCC3)c2)cc(Cl)cc1	PC-id_65315865	312.257	BCPPWHLUUQDQLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070213
Clc1c(CNCc2sc3c(CCC3)c2)c(Cl)ccc1	PC-id_61208550	312.257	IFLGAXSQKRERLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070214
Clc1sc2c(C(NC(c3ccc(Cl)cc3)C)CC2)c1	PC-id_81252985	312.257	PHVGQONAEFMKTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070215
Clc1sc2c(C(NC(c3cc(Cl)ccc3)C)CC2)c1	PC-id_81252044	312.257	BGJVMLACKSTJMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070216
Clc1sc2c(C(NC(c3c(Cl)cccc3)C)CC2)c1	PC-id_81251938	312.257	VNSABIYLWIKDAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070217
Clc1sc2c(C(NCCc3ccc(Cl)cc3)CC2)c1	PC-id_81251498	312.257	REWNMANJCFMNAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070218
Clc1sc2c(C(N[C@@H](c3ccc(Cl)cc3)C)CC2)c1	PC-id_81352398	312.257	PHVGQONAEFMKTC-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070219
Clc1sc2c(C(N[C@H](c3ccc(Cl)cc3)C)CC2)c1	PC-id_81352740	312.257	PHVGQONAEFMKTC-LLTODGECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070220
Clc1sc2c(C(N[C@@H](c3cc(Cl)ccc3)C)CC2)c1	PC-id_81366413	312.257	BGJVMLACKSTJMV-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070221
Clc1sc2c(C(N[C@H](c3cc(Cl)ccc3)C)CC2)c1	PC-id_81366910	312.257	BGJVMLACKSTJMV-LLTODGECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070222
Clc1sc2c(C(N[C@H](c3c(Cl)cccc3)C)CC2)c1	PC-id_81376881	312.257	VNSABIYLWIKDAL-LLTODGECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070223
Clc1sc2c(C(N[C@@H](c3c(Cl)cccc3)C)CC2)c1	PC-id_81377521	312.257	VNSABIYLWIKDAL-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070224
CNC(c1cccc(c1Cl)Cl)c1sc2c(c1)CCC2	PC-id_115851137	312.257	DGHAEYWYMLGRIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070225
NC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)Cl	PC-id_107312124	312.257	HGPGLQQTVBDAEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070226
NC(c1sc2c(c1)CCC2)Cc1c(Cl)cccc1Cl	PC-id_115830130	312.257	CFECEUOCRRRLOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070227
CCCCCCCCN1C(=O)c2c(C1=O)c[se]c2	PC-id_90042558,SCHEMBL15571870	312.266	ICBSERHOFOKRHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070228
n12ncnc1sc(=CNc1cccc(c1)C(F)(F)F)c2=O	MCULE-5234628134	312.27	KOGLRIJVXQXKCH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070229
n12ncnc1sc(=CNc1ccccc1C(F)(F)F)c2=O	MCULE-6358270337	312.27	YBFWHDGOEAHPPX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070230
O=c1/c(=C/Nc2ccccc2C(F)(F)F)/sc2ncnn12	PC-id_117588272,ZINC22_256055894	312.27	YBFWHDGOEAHPPX-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070231
O=c1/c(=C/Nc2cccc(C(F)(F)F)c2)/sc2ncnn12	PC-id_117588284,ZINC22_256055546	312.27	KOGLRIJVXQXKCH-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-070232
OCC(n1nnc(c1)C(=O)NC1CC(n2c1ncc2)C)(F)F	EMOLS-id_319384258	312.275	QKWUBELYDVKGJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070233
OCC(n1nnc(c1)C(=O)NCc1cnc2n1CCC2)(F)F	EMOLS-id_319189729	312.275	YSDAJKISTJTWDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070234
o1nc2c(CCC2)c1N(C(=O)c1occc1)C(=O)c1occc1	PC-id_58664476	312.277	HIQQBOOGDAGNJJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-070235
O=C(N1CCn2c1ccn2)c1cncc(c1)OS(=O)(=O)F	MCULE-2871685254	312.277	XCUZELONHUZUQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070236
O=C(N1CCn2c1ncc2)c1cncc(c1)OS(=O)(=O)F	MCULE-7741138513	312.277	ISYFIIQZLQEFGO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070237
CCOC(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)O)C(=O)O	PC-id_90976170	312.279	GUCNSMWZWSPSHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070238
CC1=NC(=O)c2c([nH]c(c12)O)Cc1c2c(c([nH]1)O)C(=NC2=O)C	PC-id_135988257	312.28	OQIWWTSRDGIFRV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-070239
CC1CC(c2n1ccn2)Nc1ccc(nc1)OCC(F)(F)F	EMOLS-id_318397609,MCULE-1424793901	312.29	OXCNQKDUOKUQPD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070240
Cn1cc(c(c1)C(=O)NCc1cnc2n1CCC2)C(F)(F)F	MCULE-5932970004,EMOLS-id_320211258	312.29	PCYPVRXKTGEDCE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-070241
Cn1cc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C(F)(F)F	EMOLS-id_319989391,MCULE-8002510166	312.29	SMZMMZJDXKGTIC-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-070242
COc1cc(ccc1C(F)(F)F)NC1CC(n2c1ncn2)C	MCULE-4868375569,EMOLS-id_318561254	312.29	NWYFSOXQVDQBBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070243
COc1cc(ncc1NCc1cnc2n1CCC2)C(F)(F)F	EMOLS-id_318349655,MCULE-9300721875	312.29	SHRBXOYZZOJXTC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070244
O=c1c(cccn1CC(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318719825,MCULE-4552302871	312.29	MWTNWBYDWZMMTE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070245
Cc1cc(nc(n1)C(F)(F)F)NC(c1nnc2n1CCC2)C	MCULE-5463747229,EMOLS-id_318477524	312.294	IOBWVJLFSKAABX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-070246
Cc1nc(cc(n1)C(F)(F)F)NC(c1nnc2n1CCC2)C	MCULE-4050982048,EMOLS-id_318276334	312.294	SCXBMRVUXKRYMV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-070247
Cc1nc(NC(c2nnc3n2CCC3)C)nc(c1)C(F)(F)F	EMOLS-id_318030038,MCULE-4486243870	312.294	ASHQQZRKUQCVBF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-070248
Cc1c(sc2c1C(=C(C#N)[N+]#[C-])C(C2=C(C#N)[N+]#[C-])(F)F)C	PC-id_88557050	312.297	HOLUIAARLNWSEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070249
[C-]#[N+]/C(=C
/c2c(C)c(sc2/C(=C(/[N+]#[C-])C#N)/C1(F)F)C)/C#N	SCHEMBL10046673	312.297	HOLUIAARLNWSEU-QKFASICWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070250
[C-]#[N+]/C(=C/1c2c(C)c(sc2/C(=C([N+]#[C-])/C#N)/C1(F)F)C)/C#N	SCHEMBL10046674	312.297	HOLUIAARLNWSEU-JOWSBRCASA-N	00000010100000000000000010000000000000000000000000000000	25-01-070251
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccno1	MCULE-3002492185,ZINC22_67833958,PC-id_56747586,EMOLS-id_36586814	312.298	RBHVUQJAGJYURA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070252
O=C(c1cc2n(n1)CCO2)NS(=O)(=O)c1c(C)noc1C	EMOLS-id_112034596	312.302	FBXAUKSNMMGWQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070253
CC(c1cc(ccc1F)C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-1941508673,EMOLS-id_331005856	312.305	BBPPNKXQCJFSAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070254
CC(c1ccc(cc1F)C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-3866742468,EMOLS-id_330999470	312.305	NOIQPGJMFJZXNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070255
CC(c1cccc(c1F)C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-8038398537,EMOLS-id_331002017	312.305	FAXUQXKERLSDQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070256
CC(c1ccc(c(F)c1)C(F)(F)F)n1cc2C(C)CCc2n1	EMOLS-id_330999214,MCULE-1505645921	312.305	KOBLKCXWVGHWEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070257
CC(c1ccc(F)cc1C(F)(F)F)n1cc2C(C)CCc2n1	EMOLS-id_331003042,MCULE-6657606221	312.305	WQRXCLCAKIQELW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070258
CC(c1ccc(F)c(c1)C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-8638485193,EMOLS-id_331005600	312.305	GSWHGCVLCXZVSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070259
CC(c1cc(F)ccc1C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-1552457217,EMOLS-id_331003298	312.305	YLCWMJLIDOYKSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070260
CC(c1cc(F)cc(c1)C(F)(F)F)n1cc2C(C)CCc2n1	MCULE-2615346315,EMOLS-id_331002273	312.305	CUDSMYPVEHFGDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070261
CC(c1c(F)cccc1C(F)(F)F)n1cc2C(C)CCc2n1	EMOLS-id_331002786,MCULE-1657505107	312.305	YANHQGPIYAXYRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070262
O=C(c1ccccc1OC(F)(F)F)c1sc2c(c1)CCC2	PC-id_114970330	312.307	ZJGDLTLRYDMMQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070263
O=C(c1sc2c(c1)CCC2)c1cccc(c1)OC(F)(F)F	PC-id_114971406	312.307	FNIKAVISWXTGHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070264
c1(NC(=O)Cc2cc(F)c(cc2F)F)sc2c(CCC2)n1	MCULE-7875907634,EMOLS-id_323369078	312.31	OKYKVCIBHHBLBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070265
Fc1cc(F)c(c(c1)F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318633942	312.31	RQKYCQRAVVSSRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070266
FC(c1ccc(C(=O)Nc2sc3c(CCC3)n2)cc1)(F)F	PC-id_24245670,ZINC22_15636384,MCULE-9295173458,EMOLS-id_17205277,CoCoCo_4109954	312.31	YQOQUDSOMGOHQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070267
FC(c1cc(C(=O)Nc2sc3c(CCC3)n2)ccc1)(F)F	PC-id_25557964,CoCoCo_4164015,EMOLS-id_24128608,ZINC22_12859142,MCULE-7545872212,GD-id_ZINC12859142	312.31	VHCHPRZTIWACBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070268
FC(c1c(C(=O)Nc2sc3c(CCC3)n2)cccc1)(F)F	ZINC22_12849435,MCULE-6593020402,CoCoCo_4164009,PC-id_25550881,EMOLS-id_24130441	312.31	FRIDMCJMNIBEGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070269
C[C@]1(NC(=O)C(F)F)CCN(C(=O)c2cnc3n2CCC3)C1	ZINC22_1390186755	312.315	OEIPULVWBZMLLF-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070270
C[C@@]1(NC(=O)C(F)F)CCN(C(=O)c2cnc3n2CCC3)C1	ZINC22_1390186760	312.315	OEIPULVWBZMLLF-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070271
CN(C)C(=O)c1nn(C)c2c1CN(C(=O)C1CC(F)(F)C1)C2	ZINC22_1565552267,EMOLS-id_313748433	312.315	XYHNIGXGTKDYHZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-070272
O=C(C(F)F)NC1(C)CCN(C1)C(=O)c1cnc2n1CCC2	PC-id_146147803	312.315	OEIPULVWBZMLLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070273
O=C1OCCN1c1ccccc1NC(=O)c1occ2c1CCC2	EMOLS-id_318476235	312.32	DONYEVJHLJATRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070274
O=C1OCCN1c1ccc(cc1)NC(=O)c1occ2c1CCC2	EMOLS-id_318633066	312.32	YWYOMEQCUPLUNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070275
O=C1OCCN1c1cccc(c1)NC(=O)c1occ2c1CCC2	EMOLS-id_318649838	312.32	ZPDQJMPQYFUMOJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070276
O(C(=O)C1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)N)C	PC-id_18335749	312.32	HBOGRBCYIYBKQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070277
c1(C(=O)NN=Cc2ccc(cc2)C(=O)OC)c2CCCc2[nH]n1	PC-id_5414009,MCULE-9734299492	312.323	UGYWXLMKVOTGCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070278
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1C(=O)C	PC-id_68439498,SCHEMBL2915158	312.323	VYWPNTIQDGPACB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070279
COC(=O)c1ccc(/C=N/NC(=O)c2n[nH]c3CCCc23)cc1	PC-id_5342686,TIMTEC476346,EMOLS-id_25879413	312.323	UGYWXLMKVOTGCW-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070280
O=C1CCCN1c1ccc(cc1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99540322	312.323	WFTSJSMKDQIOAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070281
O=C1Nc2nccn2C2(C1)CN(C2)C(=O)c1occ2c1CCC2	EMOLS-id_319094903	312.323	GFKYSMIIYVEVNJ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-070282
O=C(c1ccc(cc1)C(=O)C)Nc1[nH]nc2c1CN(C2)C(=O)C	SCHEMBL2922146,PC-id_68441862	312.323	KUJXTYRPLDNZLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070283
O=C(N1Cc2c(C1)nc(o2)C(=O)N1CCCC1)c1cccnc1	PC-id_97525795	312.323	XUHVFYAOFQZUOS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070284
O=C(N1CCn2c1ccn2)Cc1ccc(cc1)N1CCOC1=O	EMOLS-id_316846701,PC-id_145876700	312.323	BEOLPEXNZZCFKK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070285
O=C(NCC1CC1)c1nc2CN(Cc2o1)C(=O)c1cccnc1	ZINC22_96147305,EMOLS-id_44304394,PC-id_97442829	312.323	AHMFAYMENXJNKJ-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-070286
ONC(=O)/C=C/c1ccccc1NC(=O)c1nn2c(c1)CCC2	SCHEMBL18046612,PC-id_122514241	312.323	BCMJQRLQMAXDSS-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070287
ONC(=O)C=Cc1ccccc1NC(=O)c1nn2c(c1)CCC2	SCHEMBL18046615	312.323	BCMJQRLQMAXDSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070288
[O-][N+](=O)c1cc(ccc1C(C)C)C=C1C(C)n2c(C1=O)ncn2	EMOLS-id_304215224	312.323	PFEZOKJJEMPREC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070289
s1c2CCCc2c(c1N=Cc1cc([N+](=O)[O-])ccc1[O-])C#N	PC-id_6947520	312.323	LDQCMCABLJFCTR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-070290
s1c2CCCc2c(c1N=Cc1cc([N+](=O)[O-])c([O-])cc1)C#N	PC-id_40546112	312.323	ORKDLUVVNUEUNL-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-070291
c12CN(Cc1n(nc2)CCO)Cc1onc(c2cccnc2)n1	EMOLS-id_55708954,MCULE-8580919807,PC-id_91843722,ZINC22_244763912	312.327	OXSUKGPVUWPBBW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070292
c1(C(=O)NCc2nnc3CCCn23)[nH]nc(c2ccc(C)o2)c1	ZINC22_91745773,EMOLS-id_44729992,MCULE-9536470174,PC-id_70757041	312.327	SSXJYIHDORBZDJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-070293
Cc1c(N[C@H](C)c2nnc3n2CCC3)cc(C#N)cc1[N+](=O)[O-]	PC-id_97260633,ZINC22_95465991	312.327	WGMWCHCKCKFABK-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070294
Cc1c(N[C@@H](C)c2nnc3n2CCC3)cc(C#N)cc1[N+](=O)[O-]	ZINC22_95465990,PC-id_97260632	312.327	WGMWCHCKCKFABK-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-070295
Cn1nc(c2c1CN(C2)C(=O)c1cccnn1)C(=O)NC1CC1	EMOLS-id_207863080,MCULE-3879684901	312.327	HOKPBCHWDSRJGI-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-070296
Cn1nc(c2c1CN(C2)C(=O)c1ccncn1)C(=O)NC1CC1	EMOLS-id_207863095,MCULE-4787027733	312.327	CCOWUIIYTDPJTH-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-070297
Cn1ncc(c1)c1noc(c1)C(=O)NC1CC(n2c1ncc2)C	MCULE-4802021977,EMOLS-id_319943098	312.327	JUEMVKLRQFDHEC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-070298
Cn1ncc(c1)c1noc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319010430	312.327	ZRDLRRWBDULOGA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-070299
Cn1ncc(c1)c1noc(c1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_318779611	312.327	MRTNYBAJCZXPDL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-070300
COc1ccc(C#N)cc1NC(=O)NCc1nnc2n1CCC2	PC-id_49287329,EMOLS-id_36289282,MCULE-9726936444,ZINC22_50107639	312.327	QALMIVPUZWUGOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070301
N#Cc1cc(NC(c2nnc3n2CCC3)C)c(c(c1)[N+](=O)[O-])C	EMOLS-id_48326142,PC-id_75448531,MCULE-7971923219	312.327	WGMWCHCKCKFABK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070302
O=C(c1ccc(o1)Cn1nncc1)NCc1cnc2n1CCC2	MCULE-6472571761,EMOLS-id_320229519	312.327	RJJVFRBXWNXYJO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-070303
OC(=O)C1CCc2c1nc(s2)NCCSC(F)(F)F	PC-id_106433878	312.332	YKXOOZHDQMEHPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070304
Fc1cc(ccc1F)C(S(=O)(=O)c1[nH]c2c(n1)CCC2)C	EMOLS-id_318686811	312.335	BKZJZRKJRVFKKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070305
N#Cc1c(NC(=O)C2CCCC(C2)(F)F)nc2n1CCS2	EMOLS-id_111921318	312.338	PZZCTFXOTWHXOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070306
O=C(c1ccn(n1)C(F)F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318630416	312.338	ZHEOTNXTMKHAOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070307
O=C(c1ccnn1C(F)F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318652562	312.338	LXUXQXLGKQFRRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070308
O=C(c1cnn(c1)C(F)F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318739350	312.338	XESYEGIVDNSJSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070309
c1(NC(=O)C(=O)NCCOC)sc2c(CCC2)c1C(=O)O	MCULE-7321696163,PC-id_8073840,EMOLS-id_4753878,STOCK6S-19261,ZINC22_6764546	312.342	UFATXWLBAMKGHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070310
c1(NC(=O)C(=O)NCCO)sc2c(CCC2)c1C(=O)OC	PC-id_8070830,STOCK6S-14181,MCULE-3345913221,ZINC22_6758714,EMOLS-id_4745836	312.342	LEYVUBYQINXSME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070311
c1(NC(=O)NCC(=O)OC)sc2c(CCC2)c1C(=O)OC	MCULE-1384044946,ZINC22_6760819,STOCK6S-18484,CoCoCo_6534178,PC-id_8073316,EMOLS-id_4752659	312.342	PNTQLUNLTCMXOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070312
COCC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3244070,CoCoCo_2935361,ZINC22_4806305,MCULE-8681519638,PC-id_4040595	312.342	RQRBZYIEKWWXMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070313
COC(=O)c1c(NC(=O)NCCC(=O)O)sc2c1CCC2	PC-id_122087692	312.342	ALCQFSKEHIKBIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070314
NCC(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC	PC-id_112455133	312.342	LWOGHWARVJBAKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070315
s1c2c(CCC2)c(c1NC(=O)C(N)CC(=O)O)C(=O)OC	PC-id_64894774	312.342	UUVPBGYWFBYRFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070316
c1(NC(=O)c2ccccc2C(=O)O)sc2c(CCC2)c1C#N	CoCoCo_5855084,SPECS-id_AT-084/J158697,ZINC22_38730,SPECS-id_AN-153/I111414,EMOLS-id_3758391,SPECS-id_AN-329/40076257,MCULE-7451673902,PC-id_675857	312.343	HSUBIVXNBSPEOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070317
C(=O)(Nc1sc2CCCc2c1C#N)c1ccc(cc1)C(=O)O	MCULE-2080567687,EMOLS-id_327959714	312.343	ZPRSVTOCHALSSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070318
C(=O)(Nc1sc2CCCc2c1C#N)c1cc(C(=O)O)ccc1	MCULE-4386343077,EMOLS-id_328005098	312.343	DIMUFJYFCHJBHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070319
Fc1ccc(c2c(CNCc3n4c(CCC4)nn3)c[nH]n2)cc1	ZINC22_55226144,PC-id_46990514,MCULE-2076189075,EMOLS-id_31613245	312.345	XRZDONFCNYWZEW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070320
Fc1ccc(cc1)C(c1ncc[nH]1)NCc1nnc2n1CCC2	MCULE-6255976027,EMOLS-id_320375133,PC-id_139013009	312.345	KWTDIDFMEAQVKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070321
Fc1cccc(c1CNC1CC(n2c1ncn2)C)n1cccn1	EMOLS-id_319143306	312.345	FTFTTYXFASUPIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070322
Fc1ccc([C@H](NCc2nnc3n2CCC3)c2ncc[nH]2)cc1	ZINC22_527349221	312.345	KWTDIDFMEAQVKU-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070323
Fc1ccc([C@@H](NCc2nnc3n2CCC3)c2ncc[nH]2)cc1	ZINC22_527349222	312.345	KWTDIDFMEAQVKU-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070324
NC(=O)CC[C@H](C(=O)O)NC(=O)Nc1sc2c(n1)CCC2	PC-id_107830714	312.345	ZPEZBQRHPAQNIN-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070325
O=C1CCC(C(=O)N1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102234745	312.345	USKVBPHWVVYADH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070326
O=C(C1CN(C1)C(=O)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110420995	312.345	JDHMRGOCTDQLQM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-070327
s1c2CCCc2nc1NC(=O)NC(CCC(=O)N)C(=O)O	PC-id_61510085	312.345	ZPEZBQRHPAQNIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070328
s1c2CCCc2nc1NC(=O)N[C@@H](CCC(=O)N)C(=O)O	PC-id_61509959	312.345	ZPEZBQRHPAQNIN-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070329
O=C(Nc1nc2c(s1)CCC2)c1cc(c2cccnc2)on1	MCULE-5169603999,ZINC22_45881594,PC-id_47034588,EMOLS-id_31951851	312.346	VAFPKAVBZFELEN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070330
S1Cc2c(noc2NC(=O)c2[nH]nc(c2)c2ccccc2)C1	PC-id_49720051	312.346	JUIGJYKHCNWRJN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070331
c1(sc2c(CCC2)n1)NC(=O)c1cccc(c1)n1cnnn1	MCULE-7392065913,EMOLS-id_323263046	312.35	PDUKDZZFSUAEAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070332
Cc1cc(ccc1C(c1sc2c(c1)CCC2)O)C(F)(F)F	PC-id_102759281	312.35	YTAQSSYSRXAKSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070333
N#Cc1ncn(CCC(=O)Nc2sc3c(c2C#N)CCC3)n1	MCULE-7369459673,PC-id_25962409,CoCoCo_4547346,EMOLS-id_25653916,ZINC22_14144582	312.35	FWVSPYXKJPMXOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070334
O=C(c1ccc(n2nnnc2)cc1)Nc1sc2c(CCC2)n1	MCULE-2753301824,ZINC22_25767541,PC-id_33039203,CoCoCo_4164233,EMOLS-id_25638927	312.35	MMAVNTDSBBLURO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070335
OC(c1sc2c(c1)CCC2)Cc1cccc(c1)C(F)(F)F	PC-id_115782633	312.35	SLGFKIIDMCUPJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070336
s1c2c(CCC2)cc1C(O)Cc1ccc(cc1)C(F)(F)F	PC-id_63016792	312.35	CUOYSUJQHBPVID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070337
CCNC(c1cc(F)c(cc1F)F)c1sc2c(n1)CCC2	PC-id_108240043	312.353	SZACBRMWFSSTBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070338
CNC(c1cnccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_102709827	312.353	YAFZEQZVVFOSTG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-070339
NNC(c1ccccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_105304808	312.353	KWEBKARQVDREFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070340
NNC(c1sc2c(c1)CCC2)c1cccc(c1)C(F)(F)F	PC-id_105301334	312.353	CYVSUCISOCHBKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070341
NNC(c1sc2c(c1)CCC2)c1ccc(cc1)C(F)(F)F	PC-id_105302310	312.353	RBLQSEXTJRBHFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070342
s1c2CCCc2nc1C(NC)c1cc(ccc1)C(F)(F)F	PC-id_61330377	312.353	ZOPMVKYHOXYCOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070343
s1c2CCCc2nc1C(NC)c1c(cccc1)C(F)(F)F	PC-id_61331361	312.353	MAEJNOLDGCZTRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070344
s1c2CCCc2nc1C(NC)c1ccc(cc1)C(F)(F)F	PC-id_61332540	312.353	RIRGWRFBAQFMKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070345
s1c2CCCc2nc1C(NCC)c1cc(F)c(F)c(F)c1	PC-id_63077349	312.353	LDWWDIZRYDDQNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070346
CCC1CN(CCN1CC(F)F)C(=O)c1cn2CCCc2n1	EMOLS-id_316912557,PC-id_136549450,MCULE-4179114871	312.358	YUMTTZRKIHKBEQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070347
CC[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)CCN1CC(F)F	ZINC22_577613841	312.358	YUMTTZRKIHKBEQ-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070348
CC[C@H]1CN(C(=O)c2cn3c(n2)CCC3)CCN1CC(F)F	ZINC22_577613842	312.358	YUMTTZRKIHKBEQ-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-070349
FC(CN1CCC(C1)CNC(=O)c1n(C)nc2c1CCC2)F	EMOLS-id_320052964,MCULE-8470622188	312.358	SJTYHULWWQXDHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070350
FC(CN1CCCC(C1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_319949065,MCULE-2357342855	312.358	YTPKHDJFEXEKFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070351
FC(CN1CCCC(C1)C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_318895708	312.358	TZEXMXDKBOOLTD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070352
O=C(c1n(C)nc2c1CCC2)N1CCN(CC1)CC(F)(F)C	EMOLS-id_318851945	312.358	LNUSPQRMBVETFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070353
O=C(N(C1CCC(CC1)(F)F)C)NC1CC(n2c1ncc2)C	EMOLS-id_101574753	312.358	YUNWZWRADYMNTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070354
O=C(NC1CC(n2c1ncc2)C)NCC1CCCC(C1)(F)F	EMOLS-id_101373079	312.358	AWXOOZVVLMCMOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070355
O=C(NC1CC(n2c1ncc2)C)NCC1CCC(CC1)(F)F	EMOLS-id_101376211	312.358	UKSDZPOZSSRQDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070356
O=C(NC1CC(n2c1ncc2)C)NCC1CCCCC1(F)F	EMOLS-id_101483177	312.358	UUUVUEXYPKBRMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070357
Fc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_328039870	312.361	DOYQOHHVRFLBFE-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070358
Fc1ccc(C=CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	EMOLS-id_26069777,MCULE-3744592795,PC-id_72089015	312.361	JKIFSBZUKNSUGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070359
Fc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	CoCoCo_3268218,EMOLS-id_45517884,ZINC22_12822244,PC-id_25536641	312.361	JKIFSBZUKNSUGT-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070360
Fc1cc(C=CC(=O)Nc2c(C#N)c3c(CCC3)s2)ccc1	MCULE-4843473278	312.361	DOYQOHHVRFLBFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070361
N#Cc1c(NC(=O)/C=Cc2ccc(cc2)F)sc2c1CCC2	CoCoCo_3268219	312.361	JKIFSBZUKNSUGT-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070362
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(c2)OC2CC2)n1	MCULE-9624657213,EMOLS-id_330983934	312.363	JGFDGMWYLCZCLA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-070363
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(c1)OC1CC1	EMOLS-id_330966970,MCULE-8716905702	312.363	RYMKRPZPICBRGC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-070364
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1C=O	MCULE-2782484950,EMOLS-id_330987700	312.363	CPHCBPSDKNFORM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070365
CCCCOc1cc(ccc1OC)C=C1Cn2c(C1=O)ncc2	EMOLS-id_278685849	312.363	MEXSTLNWWHAPOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070366
CCCOc1c(/C=C/2Cn3ccnc3C2=O)cccc1OCC	ZINC22_585136108	312.363	QIZWFTHFCMGHIE-SDNWHVSQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070367
CCCOc1c(cccc1OCC)C=C1Cn2c(C1=O)ncc2	EMOLS-id_177331273,MCULE-1797704545	312.363	QIZWFTHFCMGHIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070368
C[C@H](NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-4542878003,EMOLS-id_328213105	312.363	UWVBGFJCKQDBMJ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070369
CC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-8491749845,EMOLS-id_328211327	312.363	UWVBGFJCKQDBMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070370
CN(CC(=O)O)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5770878473,EMOLS-id_328336795	312.363	KALJAVMVSZOZHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070371
CN(C(=O)c1ccc(cc1C)NC(=O)c1occ2c1CCC2)C	EMOLS-id_318551684	312.363	YTGBKZRQPHOCPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070372
CN(C(=O)c1cc(ccc1C)NC(=O)c1occ2c1CCC2)C	EMOLS-id_318719633	312.363	VGZCFBBCEMRMTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070373
CN(C(=O)c1ccc(c(c1)NC(=O)c1occ2c1CCC2)C)C	EMOLS-id_318572711	312.363	QBTCGXLBDFPJRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070374
COC(=O)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213366,MCULE-9930743441	312.363	BLFVHAJKIAQRCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070375
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCC(=O)O	MCULE-4400768141,EMOLS-id_328209278	312.363	DIXCBXSSBVTXNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070376
O=C1Cc2c(C1)n(nc2C(=O)OC(C)(C)C)Cc1ccccc1	SCHEMBL5527466,PC-id_58713645	312.363	BVAAHGJWZWLAOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070377
O=C(C1(CCn2c1ccc2)C)c1n2c(C(CC2)C(=O)O)cc1C	SCHEMBL10998278,PC-id_70488830	312.363	NZXZOKPPSOFDFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070378
O=C(c1n2c(C(CC2)C)cc1)Cc1n2c(C(CC2)C(=O)O)cc1	PC-id_20270347	312.363	KTABJJFLHURCCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070379
O=C(c1n2c(C(CC2)C(=O)O)cc1C)c1n2c(C(CC2)C)cc1	SCHEMBL10996782,PC-id_20270350	312.363	IKIDLRPCLAHWBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070380
O=C(c1occ2c1CCC2)NC1CCOC(C1)c1cccnc1	EMOLS-id_318121874	312.363	ANNZXZNXQPJJQY-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-070381
O=C(c1occ2c1CCC2)NC1CCOC(C1)c1ccncc1	EMOLS-id_318015894	312.363	WLQVSSJDINLUDF-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-070382
O=C(c1occ2c1CCC2)N[C@@H]1CCCO[C@H]1c1ccncc1	EMOLS-id_318717652	312.363	MKOTVCYCYLZZTQ-CVEARBPZSA-N	00000010100010101000100010000000000000000000000000000000	25-01-070383
O=C(c1occ2c1CCC2)N[C@@H]1CCO[C@H](C1)c1ccccn1	EMOLS-id_318962157	312.363	IVCBIQINGCUNFI-CZUORRHYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-070384
O=C(N(CC)CO)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_11723034	312.363	DUTAMTSQKIRBMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070385
O(C(=O)c1n(nc2c1CCC2=Cc1ccccc1)CCO)CC	PC-id_4963229	312.363	VQECUBKYSKEFGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070386
s1c2c(CCC2)c(c1NC(=O)C=Cc1ccccc1)C(=O)[O-]	PC-id_1934648	312.363	YBAABLZLODMXCY-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-070387
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)[O-]	PC-id_5606004	312.363	YBAABLZLODMXCY-MDZDMXLPSA-M	00000010100000110000000010000000000000000000000000000000	25-01-070388
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)O	EMOLS-id_186587184,MCULE-6740864317	312.365	FFDMFIRYEZXWDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070389
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)N)C(=O)O	PC-id_91089197	312.365	GNENXCCGHRRQLQ-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-070390
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC[NH3+])C(=O)OC	PC-id_8073690	312.365	LSRISBMQXAEJCD-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-070391
s1c2c(CCC2)c(c1NS(=O)(=O)c1c[nH]cc1)C(=O)O	PC-id_43294367	312.365	PXPZUUPAJDRMJO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-070392
c12CN(Cc1n(nc2)CCO)CC1CC(=NO1)c1ccccc1	EMOLS-id_55699035,MCULE-3400388642,PC-id_91842300	312.366	RKUFYXWFBUCXIZ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-070393
c12CN(Cc1nn(CC1CC1)c2N)C(=O)OCc1ccccc1	EMOLS-id_324338279,MCULE-8888500348	312.366	HXKDQTWNUSWVBF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-070394
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](Cc2ccccn2)C1)O	ZINC22_1704297041,PC-id_135115775,EMOLS-id_317328458,MCULE-5119331419	312.366	DMSQERVODWJIDD-IAQYHMDHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070395
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](Cc2ccncc2)C1)O	PC-id_135087856,EMOLS-id_317364685,ZINC22_1704337444,MCULE-4287367506	312.366	ZDVKIORQWYUIFQ-IUODEOHRSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070396
C1Cc2c(C1)[nH]nc2C(=O)NC(C1CC(C1)O)c1ccccn1	PC-id_91780951	312.366	QDTFRLACHRESEJ-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-070397
c1(C(=O)NC2CCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-3922152769,EMOLS-id_316327732	312.366	OPUNRTLYAZFKJA-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070398
c1(C(=O)NC2CCCC2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-2385643888	312.366	OPUNRTLYAZFKJA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070399
c1(C(=O)Nc2ccccc2N2CCOCC2)c2CCCc2[nH]n1	EMOLS-id_179744879,MCULE-1730604655,PC-id_110388937	312.366	DHGHSKPQCIWZNC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070400
c1(C(=O)Nc2ccccc2N2CCOCC2)cn2c(CCC2)n1	EMOLS-id_321296604,MCULE-1260401045	312.366	YVKXOMONOMNRAM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070401
c1(C(=O)Nc2ccc(cc2)NC(=O)C(C)C)c2CCCc2[nH]n1	EMOLS-id_335020224,MCULE-2028314203	312.366	NEXKBBFFSOFRML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070402
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CC)Cc12	MCULE-7754522003,EMOLS-id_316320569	312.366	FFCWQZYRWWDHJJ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070403
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CC)Cc12	MCULE-5977023713	312.366	FFCWQZYRWWDHJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070404
c1(C(=O)NC(c2ccccc2)C(=O)N(C)C)c2CCCc2[nH]n1	MCULE-6897028834,PC-id_77089172,EMOLS-id_49884931	312.366	PLXHHEPGSHWSMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070405
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccccc2)n1	MCULE-6381288311	312.366	BHDHDCJSMGNRGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070406
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccccc2)n1	MCULE-3572765057,EMOLS-id_316327737	312.366	BHDHDCJSMGNRGH-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070407
c1(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c2CCCc2[nH]n1	EMOLS-id_317387957,MCULE-7172656741,ZINC22_1704336393,PC-id_135119886	312.366	NDJQXDMMDLBVOC-DOMZBBRYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070408
c1(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c2CCCc2[nH]n1	PC-id_135120691,ZINC22_1704353858,MCULE-2524512438,EMOLS-id_317383155	312.366	NDJQXDMMDLBVOC-IUODEOHRSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070409
c1(C(=O)NN=C(C)c2ccc(cc2)OCC)c2CCCc2[nH]n1	MCULE-3869242867,PC-id_781326	312.366	PJDGZUTZQWVUCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070410
CC1CC(C1)C(=O)N1Cc2[nH]nc(COc3cccnc3)c2C1	ZINC22_1565548356,EMOLS-id_313728721	312.366	AZYKFGVQGFNSAU-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-070411
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C	SCHEMBL18871700	312.366	PVAJWJLFJADEPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070412
Cc1ccc(C(=O)CCC(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_36260941,PC-id_53527888,ZINC22_54904063,MCULE-4315159834	312.366	AIZMPKJHULSEIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070413
Cc1oc(c2ccco2)nc1CN(C)Cc1[nH]nc2c1CCC2	PC-id_56869273,EMOLS-id_43114073,ZINC22_71746436,MCULE-1166825045	312.366	FDXQZHIXNRMIMJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-070414
CC(CC(=O)N)c1ccc(cc1)NC(=O)c1c2CCCn2nc1	MCULE-9827874528,EMOLS-id_316971968,PC-id_136567344	312.366	RGDRANXWFNOQCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070415
CCC(=O)Nc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319853032,MCULE-1568393801	312.366	NVHNHMRXWIGIPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070416
C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)o1	CoCoCo_4491074,ZINC22_40481222	312.366	ZZLVIUIHJJMZQS-VAFIWLDWSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070417
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)o1	CoCoCo_4491080,ZINC22_40481216	312.366	ZZLVIUIHJJMZQS-FXOGGVSJSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070418
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)o1	ZINC22_40481213,CoCoCo_4491076	312.366	ZZLVIUIHJJMZQS-HASJVIIQSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070419
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)o1	ZINC22_40481219,CoCoCo_4491078	312.366	ZZLVIUIHJJMZQS-BVKQBWKVSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070420
C[C@H](c1ccccc1)N(CC(=O)N)C(=O)c1cn2c(n1)CCC2	ZINC22_576110381,MCULE-4958847528,EMOLS-id_316913579	312.366	PDBIGNREVSZUSX-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070421
C[C@H](CC(=O)N)c1ccc(NC(=O)c2cnn3c2CCC3)cc1	ZINC22_888936664	312.366	RGDRANXWFNOQCH-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070422
C[C@@H](CC(=O)N)c1ccc(NC(=O)c2cnn3c2CCC3)cc1	ZINC22_888936665	312.366	RGDRANXWFNOQCH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-070423
C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1nnc2n1CCC2	PC-id_94024466,ZINC22_44934652	312.366	LGKSWRYLLLGWPH-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070424
C[C@H](NC(=O)CCC(=O)c1ccccc1)c1nnc2n1CCC2	ZINC22_44934649,PC-id_94024465	312.366	LGKSWRYLLLGWPH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070425
CCOc1ccc(cc1)/C(=NNC(=O)c1[nH]nc2c1CCC2)/C	CoCoCo_205516,PC-id_5763827,CoCoCo_205514	312.366	PJDGZUTZQWVUCS-WQRHYEAKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070426
CCOc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c2c1CCC2)/C	EMOLS-id_25816071,BAS-01551257,CoCoCo_205515,PC-id_5405927,CoCoCo_205513	312.366	PJDGZUTZQWVUCS-WOJGMQOQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070427
CC(=O)Nc1cc(ccc1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319027172	312.366	XYLGPFJTZBVKPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070428
CC(=O)Nc1cccc(c1C)C(=O)NCc1cnc2n1CCC2	MCULE-1106726479,EMOLS-id_319861921	312.366	GERUHFYVHRRQFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070429
CC(=O)Nc1cccc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319645983	312.366	NVYRETVHVYEKIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070430
CC(=O)Nc1cc(C(=O)Nc2c3c(nn2C)CCC3)ccc1C	EMOLS-id_44503808,MCULE-8010459087,ZINC22_65855878,PC-id_71936287	312.366	VVHKQEVKQCQYKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070431
CC(=O)NCc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319158536	312.366	XSYDZYZZXKQLJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070432
CN(C)C(=O)c1cccc(C(=O)Nc2c3c(nn2C)CCC3)c1	ZINC22_264033993,EMOLS-id_323996157,PC-id_146084935,MCULE-7322049364	312.366	VYUUKPKJVGQKNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070433
CN(C)C(=O)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_99937538,ZINC22_215813003	312.366	PLXHHEPGSHWSMN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070434
CN(C)C(=O)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_215812952,PC-id_99937535	312.366	PLXHHEPGSHWSMN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070435
CN(C(=O)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2)C	MCULE-4232929451,EMOLS-id_319979162	312.366	LURMPDVWJXISGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070436
CN(C(=O)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318936473	312.366	KNJUCKAVADOOCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070437
CN(C(=O)c1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320127036,MCULE-8510272530	312.366	GAKUBIYKBMRAOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070438
CNC(=O)c1ccccc1N(C)C(=O)c1c2c(nn1C)CCC2	PC-id_136570613,MCULE-1379167135,EMOLS-id_316984057,ZINC22_906132572	312.366	AOMKWXKPSABDBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070439
COC1(c2ccccc2)CN(C(=O)N[C@H]2CCn3ccnc23)C1	ZINC22_1365175243	312.366	LEXAZJVWVVOCSS-AWEZNQCLSA-N	00001010100000110001100010000000000000000000000000000000	25-01-070440
COC1(c2ccccc2)CN(C(=O)N[C@@H]2CCn3ccnc23)C1	ZINC22_1365175252	312.366	LEXAZJVWVVOCSS-CQSZACIVSA-N	00001010100000110001100010000000000000000000000000000000	25-01-070441
COc1cccc(c1)C1CC1C(=O)NCc1nnc2n1CCC2	MCULE-8536296486,EMOLS-id_45758148,PC-id_71878325	312.366	SRAAFIAJBGDZGR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-070442
COc1ccccc1C1CCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319714338	312.366	VGUSLZQZXWBQMQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070443
COc1ccccc1C1(CNC(=O)C2NCc3c2c[nH]n3)CC1	EMOLS-id_318922431	312.366	UNQKVCWKEIKZII-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-070444
COc1ccc(cc1)/C=CC(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4491567	312.366	NSLDBLMYQXOPIH-YFHOEESVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070445
COc1cccc(c1)/C=CC(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4491572	312.366	JVDWXMRJBHOFSN-HJWRWDBZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070446
COc1cccc(c1)C=CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_72158873,EMOLS-id_31867870,MCULE-3475476481	312.366	JVDWXMRJBHOFSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070447
COc1ccc(cc1)C=CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_72158874,MCULE-3344534914,EMOLS-id_31867864	312.366	NSLDBLMYQXOPIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070448
COc1ccc(cc1)CN1CCC1C(=O)N1Cc2c(C1)cn[nH]2	MCULE-2138079335,EMOLS-id_324057213,PC-id_146108742	312.366	NSSLNYALQSJPQP-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-070449
COc1ccc(cc1)CN1CCC1C(=O)N1CCn2c1ccn2	EMOLS-id_316618186	312.366	FUKUFNOMYMHXOA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-070450
COc1ccc(cc1CNC(=O)C1NCc2c1c[nH]n2)C1CC1	EMOLS-id_319242213	312.366	ZRIITRHSBDWRPI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-070451
COc1ccc(cc1)N1CC(CC1=O)NC1CCn2c1ncc2	EMOLS-id_318394637,MCULE-2027319644	312.366	ZPWHLSOTKRJBGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070452
COc1ccccc1N1CCC(C1=O)NC1CCn2c1ncc2	MCULE-2789869159,EMOLS-id_318299171	312.366	DYUMFRQGZZYGIP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070453
COc1cc(ccc1N1CCCC1=O)NC1CCn2c1ncc2	MCULE-5359153484,EMOLS-id_318088765	312.366	JLYNKZIQGCMNBJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070454
COc1cccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)c1	CoCoCo_4491571,ZINC22_40481297,PC-id_45802676	312.366	JVDWXMRJBHOFSN-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070455
COc1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)cc1	ZINC22_40481295,PC-id_45802673,CoCoCo_4491566	312.366	NSLDBLMYQXOPIH-JXMROGBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070456
COc1cccc([C@H]2C[C@@H]2C(=O)NCc2nnc3n2CCC3)c1	PC-id_97063999,ZINC22_89469881	312.366	SRAAFIAJBGDZGR-KGLIPLIRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-070457
COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2nnc3n2CCC3)c1	ZINC22_89469878,PC-id_97063998	312.366	SRAAFIAJBGDZGR-KBPBESRZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-070458
COc1cccc([C@@H]2C[C@H]2C(=O)NCc2nnc3n2CCC3)c1	ZINC22_89469884,PC-id_97064000	312.366	SRAAFIAJBGDZGR-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-070459
COc1cccc([C@H]2C[C@H]2C(=O)NCc2nnc3n2CCC3)c1	ZINC22_89469888,PC-id_97064001	312.366	SRAAFIAJBGDZGR-ZIAGYGMSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-070460
COc1ccc(CN2CC[C@H]2C(=O)N2Cc3c[nH]nc3C2)cc1	ZINC22_635950176	312.366	NSSLNYALQSJPQP-INIZCTEOSA-N	00001010100000110001000010000000000000000000000000000000	25-01-070461
COc1ccc(CN2CC[C@@H]2C(=O)N2Cc3c[nH]nc3C2)cc1	ZINC22_635950177	312.366	NSSLNYALQSJPQP-MRXNPFEDSA-N	00001010100000110001000010000000000000000000000000000000	25-01-070462
COC1(CN(C1)C(=O)NC1CCn2c1ncc2)c1ccccc1	EMOLS-id_316918644,PC-id_145878411,MCULE-9065109628	312.366	LEXAZJVWVVOCSS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-070463
NC(=O)CCN(C(=O)c1cnc2n1CCC2)c1cccc(c1)C	EMOLS-id_318070199	312.366	KEGBFRHKMORYJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070464
NC(=O)CCN(C(=O)c1cnn2c1CCC2)c1cccc(c1)C	MCULE-6421943240,PC-id_121860302,EMOLS-id_72432624	312.366	XQQIHPKCBRONPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070465
NC(=O)CCN(C(=O)c1cnn2c1CCC2)Cc1ccccc1	EMOLS-id_72432618,MCULE-8647426577,PC-id_121860299	312.366	UCDUIUTXGTYAFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070466
NC(=O)CCN(C(=O)c1n[nH]c2c1CCC2)c1cccc(c1)C	EMOLS-id_318181363	312.366	UVAZPFIBVSVLRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070467
o1c(C2C(C2)C)ccc1/C=C/C(=O)NCc1n2CCCc2nn1	PC-id_45802635	312.366	ZZLVIUIHJJMZQS-FNORWQNLSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070468
o1c(C2C(C2)C)ccc1C=CC(=O)NCc1n2CCCc2nn1	PC-id_72059529,EMOLS-id_29986482,MCULE-5242048048	312.366	ZZLVIUIHJJMZQS-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070469
OC1CC(C1)[C@H](c1ccccn1)NC(=O)c1n[nH]c2c1CCC2	PC-id_100064279	312.366	QDTFRLACHRESEJ-QKFMDRJYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-070470
OC1CC(C1)[C@@H](c1ccccn1)NC(=O)c1n[nH]c2c1CCC2	PC-id_100064282	312.366	QDTFRLACHRESEJ-NWHVRFAMSA-N	00001010100000101001000010000000000000000000000000000000	25-01-070471
O(C1C(CC(CC1C)C)C)C(=O)c1c2n(ncn2)c(=C)c1C#N	PC-id_59480113	312.366	VNZXHLSPUOSMID-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-070472
Oc1ccccc1N1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_101193268	312.366	RYNUQDXKZIPUEO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070473
Oc1ccc(cc1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110534693	312.366	ZMXYRNNAYRVCKP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070474
Oc1ccccc1N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111015306	312.366	NCIRBTXNBAAKIN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070475
Oc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111778465	312.366	CAIMZZCUCIPRKN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070476
O=C1OCCN1c1cc(ccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_318387830	312.366	XZBGCDNFZQPSRT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070477
O=C1OCCN1c1cccc(c1C)NC1CC(n2c1ncc2)C	EMOLS-id_318702716	312.366	DIWNRBNZYZYBQV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070478
O=C1OCCN1c1cccc(c1C)NCc1cnc2n1CCC2	MCULE-7502742135,EMOLS-id_318480503	312.366	MMKHMJMYYMWOCA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070479
O=C1OCCN1c1ccc(c(c1)NC1CC(n2c1ncc2)C)C	EMOLS-id_318724272	312.366	UXTOZMYREOABPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070480
O=C1OCCN1c1ccc(c(c1)NCc1cnc2n1CCC2)C	MCULE-1472333051,EMOLS-id_318665797	312.366	WNEMTIDLMHCKTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070481
O=C1OCCN1c1cc(NCc2cnc3n2CCC3)ccc1C	MCULE-5485107152,EMOLS-id_318765694	312.366	RJZRTHHKJJIJTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070482
O=C1OCCN1Cc1cccc(c1)NC1CC(n2c1ncc2)C	MCULE-9485401657,EMOLS-id_318440778	312.366	BEMWVJMREQQEJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070483
O=C(c1cc2n(n1)CCO2)N1CCC(CC1)Nc1ccccc1	EMOLS-id_318505773,MCULE-7089383983	312.366	PUTWIIANLOYTGD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-070484
O=C(c1cc2n(n1)CCO2)N1CCCC(CC1)c1ccncc1	EMOLS-id_319350537	312.366	YQABZNAJBPQNMR-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-070485
O=C(c1ccc(cc1)OCc1nnc2n1CCC2)N1CCCC1	EMOLS-id_320229596,MCULE-8401521943	312.366	LMPFJBHNDBEGHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070486
O=C(c1ccnc(c1)OC1CCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_98200522	312.366	AEKSHSDDOXEWCD-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-070487
O=C(c1ccnc(c1)OC1CCC1)NCc1cnc2n1CCC2	MCULE-5840038118,EMOLS-id_320002701	312.366	FRFKSWNYFSKRIS-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-070488
Cc1snc(c1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389617	312.368	DDMJRZQLXUXKMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070531
O=C(c1cn(C2CC2)c(cc1=O)C)NCc1cnc2n1CCC2	MCULE-7538227101,EMOLS-id_319949047	312.366	ZZPQNGMWZOAELX-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-070489
O=C(c1cn(C2CC2)c(cc1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318960706	312.366	LJDAONZVRFUHAL-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-070490
O=C(C1NCc2c1c[nH]n2)N1CCOC(C1)c1ccccc1C	EMOLS-id_319156958	312.366	GTMHHUCYMDKSKC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070491
O=C(C1NCc2c1c[nH]n2)N1CCOC(C1)(C)c1ccccc1	EMOLS-id_319806151	312.366	SNOZHPHTVYODEE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070492
O=C(C1NCc2c1c[nH]n2)N1CCOC(C1)Cc1ccccc1	MCULE-5012022722,EMOLS-id_319908837	312.366	MDVJWBGWPZKNFA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-070493
O=C(C1NCc2c1c[nH]n2)Nc1cccc(c1)OC1CCCC1	MCULE-6130984122,EMOLS-id_319965482	312.366	GHCHRDVVWMCRRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070494
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)Nc1ccccc1	EMOLS-id_318206931,MCULE-3119873532	312.366	TWSKUGROFRLFGR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-070495
O=C(c1nn2c(c1)OCC2)Nc1ccc(c(c1)N1CCCC1)C	EMOLS-id_318430892	312.366	BEUUSUQYNRQUIZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070496
O=C(c1nn2c(c1)OCC2)Nc1cccc(c1)N1CCCCC1	EMOLS-id_318615730	312.366	XYEBJEZCXUOYSM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070497
O=C(c1nn2c(c1)OCC2)Nc1ccccc1N1CCCCC1	EMOLS-id_318780424	312.366	UUMZZPYJCRNPKP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070498
O=C(c1oc2c(n1)CN(C2)CC1CC1)NCCc1cccnc1	PC-id_97525769	312.366	ATPUUUYWGTXRSY-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-070499
O=C(c1occ2c1CCC2)N1CCC(CC1)Nc1cccnn1	MCULE-9481785430,EMOLS-id_318018153	312.366	AJOOWTIFYWHVJX-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-070500
O=C(Cc1ccc(cc1)NC(=O)C)NCc1cnc2n1CCC2	EMOLS-id_319076794	312.366	OVZFBHLXLOOKIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070501
O=C(Cc1ccc(cc1)NC(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319441376	312.366	YFBGOHRNIWDCKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070502
O=C(CCc1ccc(cc1)C)NCC(=O)N1CCn2c1ncc2	EMOLS-id_279043912	312.366	QROTWHLULKVVRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070503
O=C([C@@H]1CCO[C@H]1c1ccncc1)NCc1cnc2n1CCC2	MCULE-4989496661,EMOLS-id_320188916	312.366	HAMGLIWSPMMWJW-ZBFHGGJFSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070504
O=C([C@@H]1CCO[C@H]1c1ccncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318784360	312.366	TUGBGGXWPZRDQS-CJNGLKHVSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070505
OCCn1ncc2c1CN(C[C@@H]1CC(=NO1)c1ccccc1)C2	ZINC22_244795643	312.366	RKUFYXWFBUCXIZ-HNNXBMFYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-070506
OCCn1ncc2c1CN(C[C@H]1CC(=NO1)c1ccccc1)C2	ZINC22_244795644	312.366	RKUFYXWFBUCXIZ-OAHLLOKOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-070507
O[C@@H]1C[C@@](C1)(C(=O)NC1CC(n2c1ncn2)C)c1ccccc1	EMOLS-id_278965482	312.366	MWHHWJDRYYSNGY-MRCWIRIKSA-N	00001010100000110001100010000000000000000000000000000000	25-01-070508
O[C@@H]1C[C@H](C1)C(c1ccccn1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_55662593	312.366	QDTFRLACHRESEJ-LYUQMCDUSA-N	00001010100000101001000010000000000000000000000000000000	25-01-070509
O=C(N1C(c2[nH]nc(NC(=O)Cc3ccccc3)c2C1)(C)C)C	PC-id_68440416,SCHEMBL2917752	312.366	VXIGNELOXCZZLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070510
O=C(N1CC(C1)Oc1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318679544	312.366	QITABIQETXEVCA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-070511
O=C(N1CCC[C@@H]1CCc1ccccn1)c1nn2c(c1)OCC2	EMOLS-id_319275941	312.366	IOLZJESFFZFKHD-CQSZACIVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070512
O=C(N1CCC[C@H]1CCc1ccccn1)c1nn2c(c1)OCC2	EMOLS-id_319943872,MCULE-6070696197	312.366	IOLZJESFFZFKHD-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070513
O=C(N1CCn2c1ccn2)CC(c1ccc(cc1)C)NC(=O)C	EMOLS-id_318602467	312.366	JYMDFGLYTSYZKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070514
O=C(N1CCn2c1ncc2)Nc1ccc(cc1)OC1CCCC1	EMOLS-id_318561164	312.366	CHBSNEMWOAYRDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070515
O=C(N1CCn2c1ncc2)Nc1ccccc1OC1CCCC1	EMOLS-id_318638614	312.366	HAHHHLIQEQGARM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070516
O=C(N1CCn2c1ncc2)Nc1cccc(c1)OC1CCCC1	EMOLS-id_318766212	312.366	WDSNNMYUZIOVFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070517
O=C(NC1CC(n2c1ncc2)C)CN(c1ccccc1)C(=O)C	EMOLS-id_318573888	312.366	BQBZJZIVWTZWQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070518
O=C(NC(c1n2CCCc2nn1)C)CCC(=O)c1ccccc1	PC-id_45819142,MCULE-2602195048,EMOLS-id_31936206	312.366	LGKSWRYLLLGWPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070519
O=C(NCc1nnc2n1CCC2)/C=Cc1ccc(o1)[C@H]1C[C@H]1C	CoCoCo_4491075	312.366	ZZLVIUIHJJMZQS-QGSKFPASSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070520
O=C(NCc1nnc2n1CCC2)/C=Cc1ccc(o1)[C@@H]1C[C@H]1C	CoCoCo_4491077	312.366	ZZLVIUIHJJMZQS-HHQZKXIDSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070521
O=C(NCc1nnc2n1CCC2)/C=Cc1ccc(o1)[C@H]1C[C@@H]1C	CoCoCo_4491079	312.366	ZZLVIUIHJJMZQS-YQCLLZEUSA-N	00100010101000000001100010000000000000000000000000000000	25-01-070522
O=C(NCc1nnc2n1CCC2)/C=Cc1ccc(o1)[C@@H]1C[C@@H]1C	CoCoCo_4491081	312.366	ZZLVIUIHJJMZQS-PDCNKGEESA-N	00100010101000000001100010000000000000000000000000000000	25-01-070523
O=C(NCCc1ccncc1)c1nc2CN(CC3CC3)Cc2o1	ZINC22_96088065,PC-id_97407307,EMOLS-id_46185393	312.366	SGOGRDZAAFDZOP-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-070524
O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1n[nH]c2c1CCC2	EMOLS-id_72955613,PC-id_120425373,ZINC22_275759848,MCULE-5390514257	312.366	ZOPTZUXJPRLWFB-GOEBONIOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070525
O=C(NN=Cc1ccc(OCCC)cc1)c1n[nH]c2CCCc12	PC-id_3662673	312.366	VILWRPWCSCIENK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070526
Cc1ncc(s1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375554	312.368	FBIAPJJORCXVEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070527
Cc1ncc(s1)S(=O)(=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_112079798	312.368	BRPBWUARAUZQLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070528
Cc1ncc(s1)S(=O)(=O)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_112079831	312.368	XLABBXXFSCRIPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070529
Cc1nscc1C(=O)NS(=O)(=O)c1cnc2n1CCC2	ZINC22_408483300,PC-id_136535370,MCULE-7215306938,EMOLS-id_112057176	312.368	WJFYWNFFUMSBMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070530
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)c1cccs1	PC-id_91011758	312.368	QFGIDYHDOQUOST-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070532
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)c1cscc1	PC-id_91091208	312.368	DFNYQTYZBHXFFT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070533
O=C(c1cccs1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68442025,SCHEMBL2922538	312.368	WHCOUGOFQUVVML-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070534
O=C(c1cscc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68441660,SCHEMBL2921618	312.368	CCMFKXZKPHQCNT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-070535
c1(C(=O)N2CCCN(CC2)c2ncccn2)c2CCCc2n[nH]1	PC-id_119058551,ZINC22_363529215,MCULE-4689875488,EMOLS-id_82699703	312.37	NHXGSKHIDDYYIS-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-070536
c1(C(=O)N2CCN(CC2)c2ncccn2)c2CCCc2n(C)n1	MCULE-8114309621,EMOLS-id_179745199,PC-id_110389045	312.37	GDNUNGVQFXMAOX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070537
c1(C(=O)NC2CCCN(c3cnccn3)C2)c2CCCc2[nH]n1	EMOLS-id_49900861,MCULE-2247156611,PC-id_77098392	312.37	HAFFITYRTVYJBH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070538
c1(C(=O)NC2CCN(CC2)c2ncccn2)c2CCCc2[nH]n1	MCULE-9325164457,EMOLS-id_55712606,ZINC22_244633076,PC-id_91844275	312.37	FWDKDQHEDUBKOC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070539
Cc1ccc(c2n[nH]cc2CNCCc2nnc3n2CCC3)o1	PC-id_71938790,EMOLS-id_45640217,MCULE-9463824090,ZINC22_79917836	312.37	NPQFCERQUOFQJP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-070540
CC1CN(CCN1c1cnccn1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_318904100	312.37	OUMGOPWSKJYFLU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070541
CC1CN(CCN1c1nccnc1)C(=O)c1cnn2c1CCC2	MCULE-7004318026,EMOLS-id_320006556	312.37	MRBUIOPCQKTCPW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070542
Cn1nc2c(c1C(=O)N1CCN(c3cccnn3)CC1)CCC2	ZINC22_906498012	312.37	GZKJUDPNXGFVHR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070543
Cn1nc2c(c1NC(=O)c1ccc(N3CCCC3)nn1)CCC2	ZINC22_264038602,MCULE-5234233396,EMOLS-id_316845913	312.37	NLISJJPBMPYZTI-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-070544
Nc1ccnc(n1)C1CCCN1C(=O)c1n(C)nc2c1CCC2	EMOLS-id_318770666	312.37	GMJZUBDMUMIDMP-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-070545
O(c1c(N/N=C/C(=Nn3c2nnc3C)C(C)(C)C)cccc1)C	PC-id_58883153	312.37	BLKPNTNJJSIAQV-UYRXBGFRSA-N	00000011100000110001000010000000000000000000000000000000	25-01-070546
O(c1c(NN=C2C(=Nn3c2nnc3C)C(C)(C)C)cccc1)C	PC-id_71184857	312.37	BLKPNTNJJSIAQV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-070547
O=C(C1CCCN1c1ncccn1)NC1CC(n2c1ncc2)C	EMOLS-id_319863674,MCULE-5475599530	312.37	DJGUTTMHSVJFJT-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-070548
O=C(C1CCCN1c1ncccn1)NCc1cnc2n1CCC2	EMOLS-id_319262172	312.37	HKRPPTZVNFAQER-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-070549
O=C(c1ccc(nn1)N1CCCC1)NCc1n[nH]c2c1CCC2	MCULE-9190883650,EMOLS-id_320043341	312.37	GSTOZXQZDVJADN-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-070550
O=C(c1ccnc(c1)NC1CCC1)NC1CC(n2c1ncn2)C	EMOLS-id_316600969	312.37	LSWHFGFHIDKFLE-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-070551
O=C(c1cnc2n1CCC2)N1CCC(CC1)Nc1cccnn1	EMOLS-id_318223560,MCULE-1503673105	312.37	SKDFKLUYPCOPPU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-070552
O=C(c1cncc(n1)N1CCCC1)NCc1n[nH]c2c1CCC2	MCULE-9401105870,EMOLS-id_320326534	312.37	GACLFOLQFDMPHP-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-070553
O=C(c1cnn2c1CCC2)N1CCC(CC1)Nc1cccnn1	EMOLS-id_318345833,MCULE-9204953702	312.37	HFFAVIVDVYGSFF-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-070554
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)Cc1ccccn1	EMOLS-id_319806186	312.37	JOVVHOBZWMGLNS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-070555
O=C(C1NCc2c1c[nH]n2)Nc1ccc(nc1)N1CCCCC1	EMOLS-id_319691372	312.37	HJYWIRZXFGJCLH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070556
O=C(C1NCc2c1c[nH]n2)NCc1ccc(nc1)N1CCCC1	EMOLS-id_319258521	312.37	UFGOGAZOJMITCV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070557
O=C(c1n(C)nc2c1CCC2)N1CCN(CC1)c1ccnnc1	EMOLS-id_319918301,MCULE-4429221719	312.37	VIJMYWNQPZOCTR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070558
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)Nc1cccnn1	EMOLS-id_318027275,MCULE-9314338209	312.37	IAOPBPAHZIBDOY-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-070559
O=C(c1n[nH]c2c1CCC2)N1CCC(Nc2cccnn2)CC1	MCULE-3024194515,ZINC22_71863387,PC-id_56778537,EMOLS-id_36953249	312.37	XWKWLXMRFUMJCH-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-070560
O=C(N1C(CCC1)c1ccncc1)NCc1n2CCCc2nn1	PC-id_71893461,MCULE-4982710145,EMOLS-id_45753814	312.37	KLEZGUKEMPCWCT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070561
O=C(NCc1nnc2n1CCC2)c1cccnc1N1CCCC1	CoCoCo_4560504,EMOLS-id_31870885,MCULE-5694279696,PC-id_45803639,ZINC22_40486241	312.37	MNNGVMYXDRIQRD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070562
O=C(NCc1nnc2n1CCC2)N1CCC[C@H]1c1ccncc1	ZINC22_45386737,PC-id_94049169	312.37	KLEZGUKEMPCWCT-ZDUSSCGKSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070563
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1c1ccncc1	ZINC22_45386741,PC-id_94049170	312.37	KLEZGUKEMPCWCT-CYBMUJFWSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070564
O=C(NCc1nnc2n1CCC2)N(Cc1ccccn1)C1CC1	ZINC22_65422506,MCULE-6233295408,EMOLS-id_35718968,PC-id_53503497	312.37	SWZAZDUNRUCQGL-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-070565
O=C(NCc1nnc2n1CCC2)N(Cc1ccncc1)C1CC1	ZINC22_89884945,MCULE-3003201606,EMOLS-id_45753834,PC-id_71893451	312.37	NWXCRKRUWDJAME-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-070566
O=C(N[C@H]1CCCN(c2cnccn2)C1)c1n[nH]c2c1CCC2	PC-id_99961928,ZINC22_216542646	312.37	HAFFITYRTVYJBH-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-070567
O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1n[nH]c2c1CCC2	PC-id_99961930,ZINC22_216542700	312.37	HAFFITYRTVYJBH-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070568
s1c2CCCc2nc1NS(=O)(=O)c1cnc(nc1)NN	PC-id_61512090	312.371	JQILBNXAXSCGTL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-070569
n12N=C(C(C)(C)C)C(=NNc3nccnc3)c1nc(n2)C(C)C	PC-id_59703020	312.373	ZMFLTBHKBAUCGM-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-070570
c12CN(Cc1nn(CCF)c2CN(C)C)C(=O)OC(C)(C)C	MCULE-8292057316,EMOLS-id_324351847	312.383	ODBGWALMDKJPAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070571
Cc1cccc(c1F)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_317961092	312.383	PZRWGMMTANBWOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070572
Cc1ccc(c(c1)F)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_317961870	312.383	WUEUIAPODPWDEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070573
Cc1cc(ccc1F)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318515175	312.383	DZEXSIHTUWOOIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070574
Cc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318482388	312.383	LSMKDEKVMTYBRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070575
Cc1cccc(c1S(=O)(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318593926	312.383	IJNPAFUSQJWKHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070576
Cc1cc(F)cc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318564402	312.383	QUMPUOPSXNZYQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070577
Fc1cc(ccc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318376397	312.383	AVIGNTGCPQXDRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070578
Fc1cccc(c1C)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318726766	312.383	CZQCNXQCMURZPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070579
Fc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318682485	312.383	DOKPAOBRRJCVDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070580
Fc1cccnc1S(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_103299818	312.383	USZCMORIHDIULK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-070581
c12CN(Cc1sc(C(=O)OCC)c2N)C(=O)OC(C)(C)C	EMOLS-id_48597059,PC-id_75481351,MCULE-1913562749	312.385	JMDFYZFLMBJIFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070582
c12CN(Cc1sc(N)c2C(=O)OCC)C(=O)OC(C)(C)C	EMOLS-id_331064867,PC-id_122473616,MCULE-7730487451,SCHEMBL18000059	312.385	HXHXBTUFHPBLHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070583
c12CN(Cc1sc(OC)c2C(=O)NC)C(=O)OC(C)(C)C	EMOLS-id_331064355,MCULE-1124434294	312.385	XGEQNWWARIBZQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070584
c1(NC(=O)COCCOC)sc2c(CCC2)c1C(=O)NC	MCULE-9111068391,EMOLS-id_334333395	312.385	RXSAXCDQXDQAIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070585
CC(C)[C@@H]1N(Cc2sc(nc12)C(=O)O)C(=O)OC(C)(C)C	MCULE-6204216672,PC-id_117688892,SCHEMBL16224711,EMOLS-id_56974263	312.385	WOKSJPVPCAJREI-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-070586
CCOC(=O)C1CCc2c1nc(s2)NCC1COCCO1	PC-id_104288069	312.385	IXENSCNDQLSZJO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070587
CCOC(=O)c1c(NC(=O)C(CN)OC)sc2c1CCC2	PC-id_106112526	312.385	HEAPRQVBCAIYOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070588
CCOC(=O)CCNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104288311	312.385	AXGDTWCUINKIHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070589
CCOC(=O)C(Nc1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_104288297	312.385	VLHALSIYGVDGDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070590
COC(=O)c1c(COC(=O)NC(C)C)c2n(c1C)CSC2	PC-id_44307199,CHEMBL66806	312.385	BXDFKFQDMLCJRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070591
COC(=O)c1sc2c(c1N)C(N(C2)C(=O)OC(C)(C)C)C	PC-id_66747510,SCHEMBL622511	312.385	LFLDAQRIVWRVFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070592
COC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)CC(C)C	PC-id_104288335	312.385	AWDDKVNTSRLNMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070593
C(OC(=O)Nc1sc2c(C(C(=O)OCC)CC2)n1)(C)(C)C	SCHEMBL1155494,PC-id_57907516,MCULE-4852820743	312.385	GTGNPQBUNBUGQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070594
Fc1ccc(cc1)C1=CCC(CC1)NCc1nnc2n1CCC2	MCULE-7276798849,EMOLS-id_318757789	312.385	WDJRRMSEAUOTCD-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-070595
NCC(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)OC	PC-id_103155611	312.385	FASPKPFXPZQENX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070596
s1c2c(CCC2)c(c1NC(=O)CN(CCO)CC)C(=O)O	PC-id_28866164	312.385	LPSWGMZEPMHNSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070597
s1c2c(CCC2)c(c1NC(=O)C(N)CCOC)C(=O)OC	PC-id_62475946	312.385	NLLAKSCZXKMWJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070598
s1c2c(CCC2)c(c1NC(=O)CNCCOC)C(=O)OC	PC-id_78908422	312.385	YOIROBDIABBYMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070599
s1c2c(CCC2)c(c1NC(=O)C(N)COC)C(=O)OCC	PC-id_81071769	312.385	CKLXHJYUHCLZLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070600
s1c2c(CCC2)c(c1NC(=O)COCCN)C(=O)OCC	PC-id_79480184	312.385	SCSQWJJRGDLZOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070601
c1(c(C(=O)Nc2sc3CCCc3c2C#N)cc(cc1)C)OC	EMOLS-id_327920526,MCULE-6060896886	312.386	BWVXMZMRUJRPIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070602
c1(C#N)c2CCCc2sc1N=Cc1cccc(OC)c1OC	MCULE-1652693435,PC-id_697765	312.386	QUHOSYDCWUOHJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070603
c1(C#N)c2CCCc2sc1/N=C/c1cccc(OC)c1OC	TIMTEC412918,EMOLS-id_27037313,PC-id_9600531,ZINC22_74444,MCULE-8184209843,CoCoCo_1945314	312.386	QUHOSYDCWUOHJZ-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070604
c1(C#N)c2CCCc2sc1N=Cc1cccc(OCC)c1O	MCULE-3546153436	312.386	MMKNBRNEVYHEFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070605
c1(C#N)c2CCCc2sc1N=Cc1cc(OC)ccc1OC	ZINC22_245229121,MCULE-3002015883,PC-id_5404118	312.386	NSCHIJXELRAMID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070606
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C#N	PC-id_1086011,MCULE-9379950717,EMOLS-id_1487142,ZINC22_803470,BAS-06848350,SPECS-id_AN-153/I226308,CoCoCo_356029	312.386	DOYVRUJHTGFHQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070607
c1(NC(=O)c2ccccc2OCC)sc2c(CCC2)c1C#N	ZINC22_35159,PC-id_673189,EMOLS-id_6775183,MCULE-9692101217,CoCoCo_1958551,ChEMBL-DNDi_CHEMBL3772-2591	312.386	BIRSAKUGIREZAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070608
c1(NC(=O)c2cccc(C)c2OC)sc2c(CCC2)c1C#N	CoCoCo_1076321,EMOLS-id_6051820,MCULE-1477901912,SPECS-id_AN-153/I280017,SPECS-id_AP-970/43481755,PC-id_17027277,ZINC22_12651503	312.386	MIJLJGNRHQINNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070609
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C#N	ZINC22_6127894,EMOLS-id_14315235,PC-id_7893903,TIMTEC131023,MCULE-6346045296,CoCoCo_3268202	312.386	DRUZNGUDSNCGPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070610
c1(NC(=O)/C=C/c2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-5369211837,ChemDIV1683-3345,EMOLS-id_1257380,ZINC22_34723,BAS-00662179,PC-id_672858,CoCoCo_112004	312.386	DDQXBBYYRVBRLH-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070611
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-7439146744,PC-id_672857	312.386	DDQXBBYYRVBRLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070612
c1(NC(=O)CCOc2ccccc2)sc2c(CCC2)c1C#N	MCULE-3922969338,CoCoCo_5018026,ZINC22_4194489,EMOLS-id_4948951,PC-id_5159404	312.386	DFDTWWAUJMCMHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070613
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCC2)c1C#N	CoCoCo_356038,EMOLS-id_1487158,CHEMBL1405095,ZINC22_566914,BAS-06848394,MCULE-3763213467,PC-id_958574,ChEMBL-DNDi_CHEMBL1405095	312.386	IXNMBHISYAXMQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070614
c1(NC(=O)COc2ccccc2C)sc2c(CCC2)c1C#N	MCULE-2080790254,PC-id_1720947,ChEMBL-DNDi_CHEMBL8012-6312,BAS-06848392,EMOLS-id_1118308,CoCoCo_356037,ChEMBL-DNDi_CHEMBL1704340,ZINC22_2056155	312.386	GAIOCAVFGUSIOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070615
c1(NC(=O)COc2cccc(C)c2)sc2c(CCC2)c1C#N	SCHEMBL10016458,CHEMBL1454046,CoCoCo_322426,EMOLS-id_1452974,SPECS-id_AN-153/I181362,ChEMBL-DNDi_CHEMBL1454046,ZINC22_514030,PC-id_924827,BAS-04435925,SPECS-id_AG-690/11153044,MCULE-7469920083	312.386	UIVLQHRJGMAQBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070616
CC(=C)Cc1[pH]c(c2c1COC2)C/C(=C/CC1C=CC=C1)/C	PC-id_101497419	312.386	ZKSVSDYILXQMHT-OVCLIPMQSA-N	00000011100000000000000010000000000000000000000000000000	25-01-070617
CCOc1cccc(c1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_182617865,MCULE-4592760032,PC-id_4511571	312.386	GJXOIOUVFKGFJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070618
CCOc1cccc(c1O)/C=Nc1sc2c(c1C#N)CCC2	CoCoCo_6253924	312.386	MMKNBRNEVYHEFU-GRSHGNNSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070619
CCOc1cccc(/C=N/c2sc3c(c2C#N)CCC3)c1O	ZINC22_4150733,CoCoCo_6253923,EMOLS-id_46389909,PC-id_135579146	312.386	MMKNBRNEVYHEFU-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070620
COc1ccccc1CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322818087,MCULE-3425470461	312.386	CVDCDGBMSBOIIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070621
COc1cccc(c1OC)/C=Nc1sc2c(c1C#N)CCC2	CoCoCo_1945315	312.386	QUHOSYDCWUOHJZ-GRSHGNNSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070622
COc1cccc(CC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-5316278663,EMOLS-id_322615904	312.386	URUZXMQSAIZJJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070623
COc1ccc(OC)c(/C=Nc2sc3c(c2C#N)CCC3)c1	CoCoCo_1675536,ZINC22_101206640	312.386	NSCHIJXELRAMID-GRSHGNNSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070624
COc1ccc(OC)c(/C=N/c2sc3c(c2C#N)CCC3)c1	ZINC22_251116,PC-id_9615878,EMOLS-id_5484992,CoCoCo_1675535	312.386	NSCHIJXELRAMID-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070625
N#CC1CCn2c1cc(c2C(=O)c1ccc(cc1)OC)SC	PC-id_13687522,SCHEMBL10812039	312.386	FIVJBLUSKWKFSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070626
O=C1CC(C1)(C(=O)Nc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318273885	312.386	LSWGFXOCJRRNAT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-070627
O=C(COCc1ccccc1)Nc1sc2CCCc2c1C#N	MCULE-7672153691,EMOLS-id_328026914	312.386	VJQLPQRYNHYTHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070628
O=C(NC1CC1)c1cc2c(s1)CCN2C(=O)c1ccccc1	EMOLS-id_44378916,PC-id_97524475,ZINC22_96264536	312.386	ZBDQULOTMUXUQO-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-070629
O=C(Nc1sc2c(c1C(=O)N)CCC2)/C=Cc1ccccc1	CoCoCo_112005	312.386	DDQXBBYYRVBRLH-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070630
s1c2CCCc2c(c1N=Cc1cc(OC)c(OC)cc1)C#N	PC-id_24127053	312.386	OXJSJQAFLYIQRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070631
s1c2CCCc2c(c1N/C=C/1C(=O)C(=CC=C1)OCC)C#N	PC-id_16472139	312.386	FXTKCLCDCBIFMU-KHPPLWFESA-N	00000010100011000000000010000000000000000000000000000000	25-01-070632
s1c2CCCc2c(c1N/C=C
/C(=O)C(=CC=C1)OCC)C#N	PC-id_5929447	312.386	FXTKCLCDCBIFMU-ZHACJKMWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-070633
s1c2CCCc2c(c1NC=C1C(=O)C(=CC=C1)OCC)C#N	PC-id_6807199	312.386	FXTKCLCDCBIFMU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-070634
s1c2CCCc2c(c1NC(=O)[C@@H](OC)c1ccccc1)C#N	PC-id_52434306	312.386	WIYXGFKOZLJZMQ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070635
s1c2CCCc2c(c1NC(=O)[C@H](OC)c1ccccc1)C#N	PC-id_52434307	312.386	WIYXGFKOZLJZMQ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070636
s1c2CCCc2c(c1NC(=O)C(Oc1ccccc1)C)C#N	PC-id_4863652	312.386	VTPSMPKTLYOTKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070637
s1c2CCCc2c(c1NC(=O)C(OC)c1ccccc1)C#N	PC-id_75846932	312.386	WIYXGFKOZLJZMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070638
c1(C(=O)NCCS(=O)(=O)N2CCCC2)c2CCCc2n[nH]1	MCULE-3667925924,PC-id_119068043,EMOLS-id_82725187,ZINC22_426536586	312.388	YQQFPAUMXGSELV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070639
c1(NC(=O)COC)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277493,EMOLS-id_24913129,MCULE-7135726805,ZINC22_23138741,PC-id_30862081	312.388	OOLNLKSOLGUYOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070640
c1(NC(=O)C(=O)NCCO)c2CSCc2nn1C(C)(C)C	CoCoCo_5184689,PC-id_7685471,MCULE-4955883827,EMOLS-id_5617868,ZINC22_5438102	312.388	AZIDAEBPBZDHJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070641
CC1(C)C[C@@H](S(=O)(=O)N)CN1C(=O)c1n[nH]c2c1CCC2	ZINC22_2325848807	312.388	SFXCIWFWSLGPCU-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070642
CC1(C)C[C@H](S(=O)(=O)N)CN1C(=O)c1n[nH]c2c1CCC2	ZINC22_2325848808	312.388	SFXCIWFWSLGPCU-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070643
CC(C1C(=O)NCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100182729	312.388	PTZRRUCMWBEEGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070644
CCCC1C(=O)NCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221619	312.388	AVLKJNFECKYTKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070645
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1S(=O)(=O)C	EMOLS-id_110835132,ZINC22_408120065,PC-id_146126159	312.388	SFNKBBGWWVGBKT-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-070646
C[C@@H](C(=O)N1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99547922	312.388	MPGYAHAEQHAFOO-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-070647
CC(N1CCC(C1=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100222222	312.388	HTQMSKKSVPQIDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070648
CCN1CC(CC1=O)S(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-5771182968,EMOLS-id_319911918	312.388	TWHKINLVJUNIAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070649
CCN1CCCN(CC1=O)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99948397	312.388	YYHMKXCHLHDFSW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-070650
CC(N1CCN(CC1=O)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_99311771	312.388	BMXIHDFAJHZLKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070651
CC(NS(=O)(=O)c1cnc2n1CCC2)CN1CCCC1=O	EMOLS-id_100194759	312.388	BQCQYZGPOCWCOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070652
CCS(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110577203	312.388	FAIRXJLRFOJFTK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070653
CN1CCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	MCULE-2815041623,EMOLS-id_319889301	312.388	ZCSFNFWMAVOKLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070654
CN1CCN(C(C1=O)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238401	312.388	GMIRGQQFNXTUER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070655
CNC(=O)C1CCCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100214008	312.388	JWZNKTNNQPNJLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070656
CNC(=O)C1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173857	312.388	PARQQACGRKZVKA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070657
CNC(=O)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100203450	312.388	WNDIEXIMYHYCOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070658
CNC(=O)C1(C)CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100721542	312.388	AVPNHJWWOWABOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070659
CNS(=O)(=O)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316049089,MCULE-9352298029	312.388	IDEDJTYBNFMTPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070660
CNS(=O)(=O)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111678121	312.388	SILFUFXOAZHNDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070661
CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_363410938	312.388	IDEDJTYBNFMTPA-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070662
CNS(=O)(=O)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_363410939	312.388	IDEDJTYBNFMTPA-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-070663
NC(=O)C1(CCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100229866	312.388	KQBSVEZFOBPWFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070664
NC(=O)C1(CCCC1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100221496	312.388	HNIMXPWAMHWVOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070665
O=C(c1n[nH]c2c1CCC2)NC1CCCN(C1)S(=O)(=O)C	EMOLS-id_110600672	312.388	GPTKXOOERLOTDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070666
O=C(c1n[nH]c2c1CCC2)NCC1CCN(C1)S(=O)(=O)C	EMOLS-id_110282088	312.388	LPPIWPUGWCPFHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070667
O=C(c1n[nH]c2c1CCC2)NC[C@H]1CCCN1S(=O)(=O)C	EMOLS-id_110282895	312.388	AJZFSOXADHOYHU-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070668
O=C(CC1CCS(=O)(=O)C1)NCCc1nnc2n1CCC2	MCULE-9913255579,EMOLS-id_29616207,PC-id_45887238	312.388	CCRAEEVQAQZHQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070669
O=C(C[C@@H]1CCS(=O)(=O)C1)NCCc1nnc2n1CCC2	CoCoCo_4879815,ZINC22_40092379,PC-id_51943477	312.388	CCRAEEVQAQZHQR-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-070670
O=C(C[C@H]1CCS(=O)(=O)C1)NCCc1nnc2n1CCC2	CoCoCo_4879816,PC-id_51943478,ZINC22_40092382	312.388	CCRAEEVQAQZHQR-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070671
O=C(CCN1CCCS1(=O)=O)NCc1cnc2n1CCC2	EMOLS-id_318962610	312.388	MTXLUINJBXHPKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070672
O=C(CCN1CCCS1(=O)=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319194071	312.388	LEHCMDYKQLWCBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070673
O=C(CN1CCCCS1(=O)=O)NCc1cnc2n1CCC2	EMOLS-id_319660076	312.388	OXNOBQYTPXDOJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070674
O=C(Nc1n(C)nc2c1CCC2)CN1CCS(=O)(=O)CC1	EMOLS-id_98809939	312.388	RWDLKKVCQBWYLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070675
O=C(NCCS(=O)(=O)N1CCCC1)c1cnc2n1CCC2	ZINC22_888860244,PC-id_136567327,MCULE-4892990680,EMOLS-id_316967374	312.388	FGTQUHWMHVVOEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070676
S1Cc2c(nn(c2NC(=O)CC)CC(=O)NCCOC)C1	PC-id_44052968	312.388	YDTRPOCBAFYORN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070677
S1Cc2c(nn(c2NC(=O)OCC)CC(=O)NCCC)C1	PC-id_44052939	312.388	KUJWGLUMWRFPAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070678
c1ccc(OCc2n[nH]c3c2CN(Cc2cccs2)C3)nc1	EMOLS-id_44371990,PC-id_97520300,ZINC22_96260222	312.389	WHIUXWZRNVAXQF-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-070679
c1cncc(OCc2n[nH]c3c2CN(Cc2cccs2)C3)c1	EMOLS-id_44371998,PC-id_97520302,ZINC22_96260225	312.389	XSTWDXYRWBLLOJ-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-070680
CCc1nnc(cc1C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_318539513	312.389	PIOQAYRZYZIWHW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-070681
n1cc(ccc1N)CCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328093089,MCULE-5284014625	312.389	QVNSOGMHEYWYLJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-070682
N#Cc1ccc(cc1)CN(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318467813	312.389	SVDNAKJYFRFQQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070683
N#Cc1cccc(c1)CN(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318640240	312.389	OQLLQUWZHCQNIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070684
N#Cc1cc(cc(c1)N(C)C)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318594852	312.389	CYJZKUAXCKKSEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070685
N#Cc1cccnc1NCCNC(=O)c1cc2c(s1)CCC2	PC-id_71938423,ZINC22_58275456,MCULE-3288255523,EMOLS-id_44500132	312.389	ZXNHRRGNSWCHOJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-070686
N#Cc1c(NC(=O)c2ccc(nc2)N(C)C)sc2c1CCC2	EMOLS-id_318537740	312.389	XEAXNJJWKGLLRF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-070687
N#Cc1c(NC(=O)c2ccnc(c2)N(C)C)sc2c1CCC2	EMOLS-id_318653980	312.389	QKGYIVWMBFFEPW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-070688
N#Cc1c(NC(=O)c2cc(n(n2)C)C2CC2)sc2c1CCC2	EMOLS-id_318541661	312.389	VVSNHRWPBHYLIL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-070689
N#Cc1c(NC(=O)c2cnn(c2)C2CCC2)sc2c1CCC2	EMOLS-id_318525222	312.389	YHHLYPOOOOXAST-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-070690
N#Cc1c(NC(=O)C(c2cccc(c2)C)C)nc2n1CCS2	EMOLS-id_317977526	312.389	AHTYODSGFLOWBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070691
N#Cc1c(NC(=O)Cc2ccc(c(c2)C)C)nc2n1CCS2	EMOLS-id_318499981	312.389	HZJIILDOTPHADG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070692
N#Cc1c(NC(=O)C(c2ccccc2C)C)nc2n1CCS2	EMOLS-id_318517282	312.389	YPJQXGJISYGFLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070693
N#Cc1c(NC(=O)C(c2ccc(cc2)C)C)nc2n1CCS2	EMOLS-id_318752943	312.389	QBAXPSHDMJPTGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070694
N#Cc1c(NC(=O)Cc2cc(C)ccc2C)nc2n1CCS2	EMOLS-id_317921220	312.389	WDNZKUDKERSEMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070695
N#Cc1c(NC(=O)Cc2cc(C)cc(c2)C)nc2n1CCS2	EMOLS-id_318585027	312.389	ODFGJBVSCAIMNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070696
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2cnn(c2)C)sc2c1CCC2	EMOLS-id_318684238	312.389	SZLQLFKKXDFIPS-NWDGAFQWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-070697
N#Cc1c(sc2c1CCC2)NC(=O)c1cc(nn1C)C1CC1	EMOLS-id_318683097	312.389	OONDVNCOUNYFSX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-070698
O=C(c1sccc1n1cccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319137113	312.389	NKMJGNZFEVCEPN-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-070699
s1c2CCCc2cc1C(=O)NN=Cc1c(n(c(c1)C#N)C)C	PC-id_85015601	312.389	QRLXFSMRFRJVNW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-070700
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)CC(C)C)n1	EMOLS-id_330982396,MCULE-2082539501	312.406	LJQVNWYOGFCYMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070701
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)C(C)(C)C)n1	MCULE-2108907409,EMOLS-id_330982652	312.406	ZVMACCFPCPSUGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070702
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)CC(C)C	EMOLS-id_330965432,MCULE-1588086590	312.406	LFNUCHZWBDJYRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070703
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)C(C)(C)C	MCULE-3733397006,EMOLS-id_330965688	312.406	CIJKWCVDSHZWEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070704
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)CCC	MCULE-5416708567,EMOLS-id_330972593	312.406	OAQXXJHEESAJRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070705
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)C(C)C	MCULE-7614731613,EMOLS-id_330972337	312.406	SFQYSZWCQDJZDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070706
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1c(C)cc(c(C)c1)C	EMOLS-id_330971825,MCULE-7857231269	312.406	FPRRQTAAYLANGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070707
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(C(C)C)c1	MCULE-9674594728,EMOLS-id_330969524	312.406	NODBBBSJNFPQDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070708
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)C(C)C)n1	EMOLS-id_330991346,MCULE-5783146104	312.406	XQLBEKBVNKFQDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070709
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2C(C)C)n1	EMOLS-id_330992122,MCULE-6159301585	312.406	RYYGKMSJUGSQBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070710
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)CCC)n1	MCULE-7204342333,EMOLS-id_330991090	312.406	GPAHCVZKWSHPMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070711
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(C)cc(cc2C)C)n1	EMOLS-id_330991866,MCULE-8045322090	312.406	OKZBQKCOIXZOIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070712
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(C)cc(c(C)c2)C)n1	MCULE-4742476315,EMOLS-id_330991610	312.406	ZVDZPYRHFWMOCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070713
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(C(C)C)c2)n1	MCULE-3021776109,EMOLS-id_330990843	312.406	UQELBWOSVYXWIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070714
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)C(C)C	EMOLS-id_330973117,MCULE-3058186899	312.406	ZFMGDJLPLXJGDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070715
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1C(C)C	EMOLS-id_330973878,MCULE-6752000179	312.406	WODCFJRINIMRMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070716
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)CCC	MCULE-9582110180,EMOLS-id_330972861	312.406	VIGBXWDDCBIWPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070717
c1(C(=O)OC)c2C(C)CCc2nn1Cc1c(C)cc(c(C)c1)C	EMOLS-id_330973366,MCULE-4765286884	312.406	OEANQZQZBWMVLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070718
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(C(C)C)c1	EMOLS-id_330976694,MCULE-8321944911	312.406	GVOOUFJFQFIQGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070719
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccccc1CC	EMOLS-id_330974651,MCULE-5211996483	312.406	KFLNRTWABSDJGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070720
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)CC	MCULE-1536244358,EMOLS-id_330974391	312.406	LBTWARBQKFGMJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070721
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1C)C	MCULE-6688745943,EMOLS-id_330974647	312.406	CJQIVCOLLFWAFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070722
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(C)c1C	MCULE-2343973828,EMOLS-id_330974138	312.406	MNJVPVGCCMPSHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070723
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)C	MCULE-4550594329,EMOLS-id_330974135	312.406	IMPOVCBIDJILDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070724
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(C)ccc1C	MCULE-8794561920,EMOLS-id_330976953	312.406	SEEWTIDKAUXNNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070725
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(C)cc(C)c1	EMOLS-id_330973882,MCULE-5068825094	312.406	PQYHMOLIRAYIFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070726
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(CC)c1	MCULE-5489494426,EMOLS-id_330977209	312.406	TXBROIKZKMYDIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070727
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)CC)n1	MCULE-1916527681,EMOLS-id_330995960	312.406	AROPATXLZDRKEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070728
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2CC)n1	MCULE-3723846351,EMOLS-id_331000304	312.406	HNGHVOKZWZTAIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070729
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2C)C)n1	MCULE-9779090361,EMOLS-id_330997240	312.406	OBROKPYMFVHDKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070730
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)ccc2C)n1	EMOLS-id_330999536,MCULE-3011927849	312.406	JCVPGMBRKXSMAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070731
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(C)cccc2C)n1	EMOLS-id_330999792,MCULE-1313285966	312.406	UMLJJFXREKXROV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070732
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(C)c2C)n1	EMOLS-id_331000048,MCULE-7665408714	312.406	GICASIPVMINFLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070733
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(C)c2)C)n1	MCULE-7392740401,EMOLS-id_330995704	312.406	ORRWGLPEMOBHEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070734
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)cc(C)c2)n1	EMOLS-id_330999281,MCULE-8740544339	312.406	PFKLWMIKKVOXFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070735
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(CC)c2)n1	EMOLS-id_330999537,MCULE-1277171171	312.406	KFIVSVUZKDAQSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070736
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1CC	EMOLS-id_330981051,MCULE-6199067625	312.406	VGTGTHPHRADZIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070737
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1C)C	MCULE-1297619361,EMOLS-id_330977972	312.406	BKIUISSNNPRZRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070738
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)CC	MCULE-4810417567,EMOLS-id_330980787	312.406	NQJDRHIKSLUWKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070739
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(C)c1C	EMOLS-id_330980795,MCULE-9647181098	312.406	FECIPJSAGOCLQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070740
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)C	MCULE-2825191702,EMOLS-id_330980531	312.406	SIFHRDXGWKCPJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070741
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)ccc1C	MCULE-7471177095,EMOLS-id_330980283	312.406	FNPVOEAFQZVHSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070742
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)cc(C)c1	EMOLS-id_330980028,MCULE-2331833537	312.406	VCOKOOMJEPRGJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070743
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(CC)c1	MCULE-3400728426,EMOLS-id_330980284	312.406	XZMBEKRMZUFXEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070744
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccccc1C	EMOLS-id_330982577,MCULE-1735584236	312.406	OHNJQUFCKTYDKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070745
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C	MCULE-6541093533,EMOLS-id_330977981	312.406	LRVMGSRRWDOMFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070746
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(C)c1	MCULE-6553465708,EMOLS-id_330980799	312.406	QLKHSXIICHQZQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070747
CC1CCc2c1c(CO)nn2Cc1ccc(OCC2CC2)cc1	MCULE-2277616759,EMOLS-id_331009272	312.406	ZXEIRTDCGDEBNR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-070748
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(CO)c12	EMOLS-id_330992051,MCULE-8203767573	312.406	PUUIBFUDGRUKMZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-070749
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1C(=O)O	EMOLS-id_330972081,MCULE-3824526099	312.406	NYBGCNAXVULZOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070750
CCC(CO)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2475756583,EMOLS-id_328212595	312.406	XZIYOHKKOWJWPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070751
CC(C)(CO)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3382443827,EMOLS-id_328214896	312.406	IRGSWOIXDODLCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070752
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987956,MCULE-8680942215	312.406	VOVZTQODJWEFQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070753
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1C=O	MCULE-2310544719,EMOLS-id_330988468	312.406	AHTDHYPCSGYVMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070754
CCN(CCO)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7881294026,EMOLS-id_328337566	312.406	BFUZDTSSKYSRHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070755
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(C)cccc1C	EMOLS-id_330980539,MCULE-8733300745	312.406	RGIFXLWJYXMQHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070756
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1C=O	MCULE-7127376443,EMOLS-id_330987192	312.406	ZACRIVXODNTJGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070757
COCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328208511,MCULE-2286973147	312.406	NQPTYGUNOAVTJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070758
COC(=O)c1c2C(C)CCc2nn1Cc1c(C)cc(C)cc1C	EMOLS-id_330973622,MCULE-1567353714	312.406	VQOJVWNWWLSYOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070759
COC(=O)c1c2C(C)CCc2nn1C(C)c1c(C)cccc1C	EMOLS-id_330974907,MCULE-6080567294	312.406	MWLDEAXTORNJSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070760
O=C(N[C@@H]1CCCC[C@H]1F)NCCc1cn2c(n1)SCC2	EMOLS-id_101701562	312.406	RTJPJPRAJDRQQX-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070761
O(C(=O)c1n(nc2c1CCC2)C)Cc1ccc(C(C)(C)C)cc1	PC-id_14536090	312.406	JOVQXCSUIYEYJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070762
OC(=O)CCCCCc1nn(c2c1CCC2)Cc1ccccc1	PC-id_20031035,SCHEMBL10479394	312.406	IZDBQZDOJBCUOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070763
c1(NC(=S)NC(=O)C)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AT-084/J171374,CK1388567,BAS-00796094,MCULE-5810329039,ZINC22_4656869,SPECS-id_AN-329/40302984,EMOLS-id_1277624,ChEMBL-DNDi_CHEMBL5659603,TIMTEC362946,PC-id_2859044,STOCK2S-87061,CoCoCo_135136,SPECS-id_AN-153/I125047	312.408	OQOUHQXNCIBTSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070764
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCCO	MCULE-1864429553,EMOLS-id_186639024	312.408	KPBIEUNJGSNFJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070765
s1c2c(CCC2)cc1CNCc1oc(S(=O)(=O)N)cc1	PC-id_65579025	312.408	XDXAUOJDSYJZPU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-070766
s1c2c(CCC2)c(c1NC(=O)C1NCSC1)C(=O)OC	PC-id_61252111	312.408	HMIHJBACLWWKJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070767
c12CN(Cc1nn(CCC)c2C(=O)NCC)Cc1ccccc1	EMOLS-id_324357986,MCULE-1457815933	312.409	QBMFQOCJMUVCQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070768
c1(CN(C)C(C)C(=O)Nc2ccccc2C)c2CCCc2[nH]n1	EMOLS-id_55685557,PC-id_91840358,MCULE-8623822555	312.409	NAQVTDXBYWGTQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070769
c1(CN(C)C(=O)N[C@@H](CC)c2ccccc2)c2CCCc2[nH]n1	MCULE-2332857417,PC-id_121496367,ZINC22_426393059,EMOLS-id_177374310	312.409	QHQWHBAVRPBWHL-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070770
c1(C(=O)Nc2ccc(cc2C)N(CC)CC)c2CCCc2[nH]n1	MCULE-8325563293,EMOLS-id_179744955,PC-id_110388962	312.409	FKBNYQDRHLOYIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070771
c1(C(=O)Nc2ccc(cc2)N(CC)CC)c2CCCc2n(C)n1	EMOLS-id_179745418,MCULE-3403432267,PC-id_110389118	312.409	WGWQNLDQUDLGAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070772
c1(C(=O)Nc2ccc(N(CC)CC)cc2C)cn2c(CCC2)n1	EMOLS-id_321296350,MCULE-6530544501	312.409	PCGYHOSVWWYXRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070773
CC1CC(c2n1ncn2)NC(c1ccccc1)C1CCOCC1	MCULE-9333192855,EMOLS-id_318539499	312.409	HNSZAVXDMKVRDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-070774
CC1CC(c2n1ncn2)NCc1ccccc1OC1CCCC1	EMOLS-id_319936796,MCULE-9091500414	312.409	YOUKBROBBSHNBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070775
CC1CC(c2n1ncn2)NCC1CCCOC1c1ccccc1	EMOLS-id_258181926,MCULE-7323603448	312.409	WHMDREMWUKSBAL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070776
CC1CC(c2n1ncn2)NCC1(CCOCC1)c1ccccc1	EMOLS-id_318648022,MCULE-4489031975	312.409	QVTZOGQEGFQDMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070777
Cc1ccccc1C(C)(C)C(=O)N(C)Cc1nnc2n1CCC2	MCULE-3529299917,EMOLS-id_48225723,PC-id_75406114,ZINC22_58792588	312.409	ARPRZYJORATYKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070778
Cc1c(c(ccc1)C(C)C)NC(=O)C(C)N1CCn2c1ncc2	EMOLS-id_317733546,MCULE-8082280211,PC-id_136563300	312.409	NNUWUFHHBNNMOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070779
Cc1ccc(cc1)C(CN(C(=O)C1NCc2c1c[nH]n2)C)(C)C	EMOLS-id_318780589	312.409	SZSCVCYXBPIBSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070780
Cc1ccc(cc1)[C@@H]1OCCC[C@H]1NC1CC(n2c1ncn2)C	EMOLS-id_318572790	312.409	LICGVTJWANVZSH-INXRADFVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070781
Cc1ccc(cc1NC1CC(n2c1ncc2)C)N1CCOCC1	EMOLS-id_318489489	312.409	NGJCAWFJCUNCFO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070782
Cc1ccc(cc1NCc1cnc2n1CCC2)N1CCOCC1	MCULE-1863979553,EMOLS-id_318727420	312.409	FXPTUTCMDAKZNA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070783
Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1n[nH]c2c1CCC2	ZINC22_252493166	312.409	NAQVTDXBYWGTQH-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070784
Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1n[nH]c2c1CCC2	ZINC22_252493169	312.409	NAQVTDXBYWGTQH-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070785
Cc1cc(C)cc(C(=O)N2Cc3c(CN(C)C)nn(C)c3C2)c1	EMOLS-id_44369696,ZINC22_96259074,PC-id_97519164	312.409	XDDNFYWSQIDNOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070786
Cc1ccc(C(=O)N2Cc3c(CN(C)C)nn(C)c3C2)cc1C	PC-id_97519163,EMOLS-id_44369694,ZINC22_96259073	312.409	DTGFBZNJPHFZBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070787
CC1CCCN(C1)c1ccccc1OCc1nnc2n1CCC2	MCULE-5521904314,EMOLS-id_320141262	312.409	GZEOCLDIZFMUFK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070788
Cc1cccnc1OC1CCN(Cc2cc3n(n2)CCC3)CC1	ZINC22_649593947,PC-id_146134693	312.409	HOSMNEARDKQNTI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-070789
CC1(C)OCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318372511,MCULE-1716092515	312.409	ICRCNKPOXLYCQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070790
CC1COCCC1Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-4357176118,EMOLS-id_318118116	312.409	WDYHIKUGBWTWIL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-070791
CC1COCCN1c1ccc(cc1)NC1CC(n2c1ncc2)C	EMOLS-id_318508831	312.409	ZLGYGLDPPHNHMN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070792
CC1COCCN1c1ccc(cc1)NCc1cnc2n1CCC2	MCULE-5027844952,EMOLS-id_318594734	312.409	LXZQIOCYXCOAHS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070793
CC1OCCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318212343,MCULE-5902156886	312.409	SYBMDWSJZSDREO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-070794
CC(c1ccc(cc1)CC(C)C)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319761896	312.409	AQYABVIAAJUKSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070795
CCc1ccc(cc1)C(CNC(=O)C1NCc2c1c[nH]n2)(C)C	MCULE-8670132138,EMOLS-id_320043442	312.409	BRMOCDABULHEOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070796
CCc1c(c(ccc1)CC)NC(=O)C(C)N1CCn2c1ncc2	EMOLS-id_316982687,MCULE-7374978146,PC-id_136563299	312.409	FYTWPXGJIAEHQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070797
CCc1ccc(cc1)CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318620133	312.409	DTXCRRWWGWOGAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070798
CCc1ccc(cc1)C(=O)N1Cc2c(CN(C)C)nn(C)c2C1	ZINC22_96084442,EMOLS-id_46181891,PC-id_97405268	312.409	FMLHWGHKRMIKRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070799
CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCn2ccnc12	ZINC22_931525713	312.409	FYTWPXGJIAEHQH-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070800
CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCn2ccnc12	ZINC22_931525714	312.409	FYTWPXGJIAEHQH-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070801
CCc1nc(ccc1C(=O)NCc1cnc2n1CCC2)C(C)C	EMOLS-id_319507740	312.409	DUNACEKBNYPHFR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070802
CCc1nc(ccc1C(=O)NCc1n[nH]c2c1CCC2)C(C)C	MCULE-1254144353,EMOLS-id_320206343	312.409	XYROYWJAMMYZPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070803
CC(c1nnc2n1CCC2)NC(=O)c1ccccc1C(C)(C)C	EMOLS-id_318770693	312.409	XLZHDRZCQGIVIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070804
CCCCC1Cc2c(C1=NC)nnn2Cc1ccc(cc1)OC	PC-id_70313722,SCHEMBL8236152	312.409	VLVVLDXXKPRDFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070805
CC(C)Cc1ccc(CC(=O)NCc2nnc3n2CCC3)cc1	MCULE-3537981112,ZINC22_54904738,EMOLS-id_31870893,PC-id_51075168	312.409	ZSWGKJGXTJDDRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070806
CCCCN(c1ccc(cc1)C(=O)NC1CCn2c1cnc2)C	MCULE-1952947093,EMOLS-id_177346197	312.409	PQEXLUVYFRLWNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070807
CCCCN(C)c1ccc(C(=O)N[C@H]2CCn3cncc23)cc1	ZINC22_585122659	312.409	PQEXLUVYFRLWNA-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070808
CCCCN(C)c1ccc(C(=O)N[C@@H]2CCn3cncc23)cc1	ZINC22_585122660	312.409	PQEXLUVYFRLWNA-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070809
CC(C(Nc1cccc(c1C)C(=O)N1CCn2c1ccn2)C)C	MCULE-9391128528,EMOLS-id_318278833	312.409	DHCRNDGITHXYMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070810
CC(C(Nc1cccc(c1C)C(=O)N1CCn2c1ncc2)C)C	EMOLS-id_318700410,MCULE-9602709701	312.409	IRRLHESDFCCZRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070811
CCCN(C)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cc1	PC-id_71935705,EMOLS-id_45643787,ZINC22_63940299,MCULE-6744220134	312.409	RNRISJUGECOSST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070812
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nnc2n1CCC2	PC-id_94024395,ZINC22_44934436	312.409	KKMRWHPEQDOBDZ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070813
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nnc2n1CCC2	PC-id_94024396,ZINC22_44934439	312.409	KKMRWHPEQDOBDZ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070814
CC(N(C(=O)c1cc(ccc1C)NC1CCn2c1ncc2)C)C	MCULE-4268084760,EMOLS-id_318116498	312.409	YOGPVBKQEWINDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070815
CN(C1Cn2c(C1)cc(n2)C(=O)NCc1cc(C)ccc1C)C	MCULE-9438239542	312.409	JTDHEUCYRQEWKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070816
CN(C1Cn2c(C1)cc(n2)C(=O)NCCCc1ccccc1)C	MCULE-3733321253	312.409	MYXLJCGFZYKPTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070817
CN(Cc1nn(c2c1CN(C2)C(=O)CCc1ccccc1)C)C	PC-id_97519167	312.409	VSBXIZUZAGTBHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070818
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(C(C)(C)C)cc1	MCULE-5541269753,ZINC22_65393135,EMOLS-id_35688608,PC-id_53499923	312.409	RJWJLGZKMKJRIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070819
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCc1cc(C)ccc1C	MCULE-4209504211,EMOLS-id_316327221	312.409	JTDHEUCYRQEWKS-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070820
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCCCc1ccccc1	EMOLS-id_316327735,MCULE-5869489028	312.409	MYXLJCGFZYKPTK-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070821
CN(C(=O)c1cc(ccc1C)NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318100984,MCULE-2927342986	312.409	OGIUCFXJLVZHCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070822
CN(C(=O)c1ccc(c(c1)NC(c1nn2c(c1)CCC2)C)C)C	EMOLS-id_318367048,MCULE-8968455111	312.409	YSLXEZPAMRCTQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070823
COc1cccc(c1)C1CNCCN1Cc1cc2n(n1)CCC2	MCULE-5013329131,EMOLS-id_318598518	312.409	ZVATYIQTBOKYQW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070824
COc1ccc(cc1)C1CNCCN1Cc1nn2c(c1)CCC2	MCULE-2451726732,EMOLS-id_318526348	312.409	RSZNVJZOUPUYCU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070825
COc1cccc(c1)C1NCCN(C1)Cc1cc2n(n1)CCC2	MCULE-8685924193,EMOLS-id_318766737	312.409	QQISCCSIPQOHJN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070826
COc1ccc(cc1)C1NCCN(C1)Cc1nn2c(c1)CCC2	MCULE-4572327773,EMOLS-id_318602500	312.409	FFOQTIUPLBQMET-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070827
COc1cccc(c1)N1CCC(C1)NC1CC(n2c1ncc2)C	MCULE-1434759922,EMOLS-id_318233516	312.409	AWDWYOCXQBZTGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-070828
COc1cccc(c1)N1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_318696688,MCULE-1881153724	312.409	DXMBQAKJDYEUTQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070829
COCC(C1CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_189731268,MCULE-6375976406	312.409	VMLBWZWXKCZFSO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-070830
COC[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)C1CC1	ZINC22_188602410	312.409	VMLBWZWXKCZFSO-MRXNPFEDSA-N	00100010100000110001000010000000000000000000000000000000	25-01-070831
NC(c1ccc(cc1)C(C)C)CNC(=O)c1cnc2n1CCC2	EMOLS-id_318212258	312.409	LUTLLYMYCRWHFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070832
O1CCCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-7092073995,EMOLS-id_318338826	312.409	UTCHUPWNMVBOJL-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-070833
OC1CCN(CC1)c1ccccc1NCc1cnc2n1CCC2	EMOLS-id_318191245	312.409	VYQOYAUTXNHJIL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-070834
O=C(c1cccc(c1)C(C)(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318679908	312.409	AFHAIKMLIBSIBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070835
O=C(c1ccc(cc1)C(C)(C)C)NC(c1nnc2n1CCC2)C	PC-id_45819099,EMOLS-id_31936102,MCULE-7726988268	312.409	KKMRWHPEQDOBDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070836
O=C(c1cccc(c1N)C(C)(C)C)NCc1cnc2n1CCC2	MCULE-4100388237,EMOLS-id_319996911	312.409	HTNVCWPNERRCIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070837
O=C(c1cccc(c1N)C(C)(C)C)NCc1n[nH]c2c1CCC2	MCULE-1060792680,EMOLS-id_319825280	312.409	RLWNEVVLLZHGMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070838
O=C(c1cc(n(c1C)CC1CC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320120820,MCULE-9155386324	312.409	RNMYUZPWMIQPLL-UHFFFAOYSA-N	00100010110000000001000010000000000000000000000000000000	25-01-070839
O[C@@H]1CNC[C@H]1N(Cc1nn2c(c1)CCC2)Cc1ccccc1	EMOLS-id_316948874	312.409	QIWVCTKEXZFKCU-QZTJIDSGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070840
O=C(N1CC2C(C1)C1CCC2C=C1)NC1CC(n2c1ncc2)C	EMOLS-id_101423016	312.409	UAWZKIITLGNOIN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-070841
O=C(N1CCn2c1ccn2)c1cccc(c1C)NCC(C)(C)C	EMOLS-id_317999536	312.409	HJBRZZBMQCCTSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070842
O=C(N1CCn2c1ncc2)c1cccc(c1C)NCC(C)(C)C	EMOLS-id_318561525	312.409	LIMQFQLNSINYOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070843
O=C(N(Cc1ccc(c(c1)C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318514809	312.409	AJRHPDDHCIOLEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070844
O=C(N(Cc1cccc(c1C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318647215	312.409	BNFOMMYXQPDDCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070845
O=C(N(Cc1c(C)cccc1C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318581727	312.409	NNOWYBSQLWSEKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070846
s1c2CCCc2c(c1NC(=O)C[n+]1ccc(CC)cc1)C#N	PC-id_8856782	312.409	GFIWPBZXLIBHMR-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-070847
Cc1nc(c(s1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101318515	312.411	DNXNFHWPPDDQNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070848
Cc1nc(c(s1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319026291	312.411	GKIFKAGSJYPAAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070849
CC(c1cnc(s1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100477455	312.411	FGVRZFYANMTJQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070850
CCc1nc(c(s1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100357977	312.411	HDJGDXGBPRCJAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070851
Cn1ccc(n1)S(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102022864	312.411	RBIAWYYYDCIMSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070852
CNCc1[nH]cc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053314	312.411	KCUJLWCKSRRVFF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-070853
NCc1cc(cn1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053316	312.411	LFLSEQJKKYVXAS-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-070854
s1c2c(CCC2)cc1CNS(=O)(=O)c1cn(nc1N)C	PC-id_61208343	312.411	IYQCISKTJILUBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070855
s1c2c(CCC2)cc1CNS(=O)(=O)c1n(cnc1N)C	PC-id_64008998	312.411	MEFFCBFQNABIGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070856
S(=O)(=O)(N1CCNCC1)Nc1sc2c(CCC2)c1C#N	PC-id_61252945	312.411	SONHYRKVANESKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070857
c1(CN2CCC(CC2)N(C)c2ccccn2)nnc2CCCn12	ZINC22_1889082747,EMOLS-id_331198926,MCULE-7654758954,PC-id_155975473	312.413	OFJKIRKENWYWFE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-070858
c1(CN2CCN(CC2)c2ccc(nn2)C)c2CCCc2nn1C	EMOLS-id_337124547,ZINC22_1849112407,MCULE-6888251969	312.413	LYLDFBJGNFGPSR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070859
c1(CN2CCN(CC2)c2nccc(C)n2)c2CCCc2nn1C	MCULE-5852015950,ZINC22_2298176278,EMOLS-id_337719496	312.413	VXXDEHFMSNNTQD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070860
c1(CN2CCN(CC2)c2ncnc(C)c2)c2CCCc2nn1C	MCULE-1925322499,ZINC22_1849112448,EMOLS-id_337124291	312.413	NBMKDSHTJOMIEM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070861
c1(N2CCCCC2)nc(C)cc(NCc2c3CCCc3[nH]n2)n1	ZINC22_1529173026,EMOLS-id_316162559,MCULE-3707023275,PC-id_134708864	312.413	KZEPDIJVNAKGOY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070862
CC1CC(c2n1ncn2)NCc1ccc(nc1)N1CCCCC1	EMOLS-id_318404006,MCULE-8181786617	312.413	WOSTXXGDGUXSTP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070863
CC1CC(c2n1ncn2)NCC1CCN(CC1)c1ccncc1	EMOLS-id_318379967,MCULE-2467779272	312.413	OGHKFDXJUCXXPB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070864
CC1CC(c2n1ncn2)NCc1ccnc(c1)N1CCCCC1	MCULE-4739610405,EMOLS-id_279081937	312.413	ITZHSBHSDJQRTD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070865
Cc1ccc(c(n1)N1CCCC1)CNC1CC(n2c1ncn2)C	MCULE-5686034362,EMOLS-id_316582894	312.413	AVFKOQPPYFAFMU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070866
Cc1cc(CNC2CC(n3c2ncn3)C)cc(n1)N1CCCC1	EMOLS-id_318617899,MCULE-5923965203	312.413	WIASNGJGEOQZQC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070867
Cc1ccc(nn1)N1CCCC(C1)NC1CC(n2c1ncc2)C	MCULE-9867479684,EMOLS-id_101411071	312.413	OOSFQXJINAEGLL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070868
Cc1ccc(nn1)N1CCCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318303801,MCULE-9371649354	312.413	QPSQNJYWKFKYQB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070869
Cc1nc(C)nc(c1)N1CCCC(C1)NC1CCn2c1ncc2	MCULE-7155817570,EMOLS-id_318009750	312.413	MTPDKBCARUBINU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070870
CCc1cccc(c1NC(=NCc1nnc2n1CCC2)N)CC	PC-id_111039247	312.413	ZLMVVANMPJNMMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070871
CCc1ncnc(c1)N1CCCC(C1)NC1CCn2c1ncc2	EMOLS-id_318084348,MCULE-5162485349	312.413	BBSMBKCSUCVWOG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070872
CC(c1nn2c(c1)CCC2)NC1CCCN(C1)c1cccnn1	EMOLS-id_318105145,MCULE-5589103857	312.413	DTGOAYIKZQXCTL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070873
CC(c1nnc2n1CCC2)NC1CCN(CC1)c1ccccn1	MCULE-1549097089,EMOLS-id_318052366	312.413	NVFLPPNVFMFRTG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070874
CCC(c1ccc(cc1)NC(=NCc1nnc2n1CCC2)N)C	PC-id_111039227	312.413	NPSBRTMCFVYJEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070875
C[C@H]1C[C@H](NCC2CCN(c3ccncc3)CC2)c2ncnn12	ZINC22_925300692	312.413	OGHKFDXJUCXXPB-BBRMVZONSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070876
C[C@@H]1C[C@H](NCC2CCN(c3ccncc3)CC2)c2ncnn12	ZINC22_925300697	312.413	OGHKFDXJUCXXPB-CJNGLKHVSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070877
C[C@@H]1C[C@@H](NCC2CCN(c3ccncc3)CC2)c2ncnn12	ZINC22_925300699	312.413	OGHKFDXJUCXXPB-CZUORRHYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070878
C[C@H]1C[C@@H](NCC2CCN(c3ccncc3)CC2)c2ncnn12	ZINC22_925300705	312.413	OGHKFDXJUCXXPB-XJKSGUPXSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070879
CCNC(=NCc1ccc(cc1)C)NCc1nnc2n1CCC2	PC-id_111020293	312.413	PIYOZAWOHZANRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070880
CCNC(=NCc1ccccc1C)NCc1nnc2n1CCC2	PC-id_111020457	312.413	GMZPPUZXNBKGCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070881
CCNC(=NCc1cccc(c1)C)NCc1nnc2n1CCC2	PC-id_111020655	312.413	IFLWAGDNDWWULL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070882
CCNC(=NCc1nnc2n1CCC2)NC(c1ccccc1)C	PC-id_110950002	312.413	KZEWFIJKSJQJGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070883
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccccc1)C	PC-id_110951834	312.413	WHWBMKYBQVAVNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070884
CCNC(=NCc1nnc2n1CCC2)NCCc1ccccc1	PC-id_111020207	312.413	DWSPTNRTYIZZIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070885
CN1CC[C@H]([C@@H]1c1cccnc1)CNC1CC(n2c1ncn2)C	EMOLS-id_318611808,MCULE-7651013649	312.413	RGYSPJVEWSLGJZ-LVBITLCTSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070886
CN1CCN(CC1)c1ccc(nc1)NCc1cnc2n1CCC2	EMOLS-id_318168589,MCULE-9619133392	312.413	HRDIBGDUEYJCCA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070887
CN1CCN(CC1)c1ccncc1NCc1cnc2n1CCC2	EMOLS-id_318387721,MCULE-8849113287	312.413	UATFUIIROUVMEU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070888
CN1CCN(CC1)c1ccnc(c1)NCc1cnc2n1CCC2	MCULE-7817419416,EMOLS-id_318194201	312.413	DLQOQPHMYCULDL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-070889
CN(C1CCN(C1)c1ccc(nc1)NC1CCn2c1ncc2)C	MCULE-2854724534,EMOLS-id_318357817	312.413	SAIJVFLRCJTYRW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-070890
CN=C(N(Cc1ccccc1C)C)NCc1nnc2n1CCC2	PC-id_111287133	312.413	SCIXCWYGSNPJOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070891
CN=C(N(Cc1ccc(cc1)C)C)NCc1nnc2n1CCC2	PC-id_111289457	312.413	IMGPGPQQPXISCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070892
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1C)C	PC-id_111020109	312.413	SWJPBHDEIJDQJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070893
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1CC	PC-id_111636127	312.413	HYEZWBKYWLNLDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070894
CN=C(NCc1nnc2n1CCC2)NCC(c1ccccc1)C	PC-id_111020409	312.413	SSZSRMPVUVSJDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070895
CN=C(NCc1nnc2n1CCC2)NCCCc1ccccc1	PC-id_111020243	312.413	AWVORSMECFNBBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070896
N1CC(CCC1)c1nc(nc(NCc2n[nH]c3c2CCC3)c1)C	PC-id_56703560	312.413	YYKNHLKJOJXMPQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-070897
s1c2CCCc2c(c1NC=C(c1scc(n1)C)C#N)C#N	PC-id_84841494	312.413	LHKFMXWHERFWIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070898
s1c2CCCc2c(c1N/C=C(/c1scc(n1)C)C#N)C#N	PC-id_8811674	312.413	LHKFMXWHERFWIZ-JXMROGBWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070899
C=C/C=CC1=C(C=C)c2n(C1CCC1(F)CCCCC1)cnc2	SCHEMBL19386516	312.424	LUCXYFOOOUHKNP-UITAMQMPSA-N	00000011100010000001000010000000000000000000000000000000	25-01-070900
S1(=O)(=O)C(c2c(C1CCCC)coc2C(=O)C)CCCC	PC-id_14977734	312.424	HXZLJPSDMWDMHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070901
S1(=O)(=O)[C@H](c2c([C@@H]1CCCC)coc2C(=O)C)CCCC	PC-id_9995666	312.424	HXZLJPSDMWDMHZ-KBPBESRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070902
CCCC(Nc1sc2c(n1)C(CC2)C(=O)OCC)COC	PC-id_104288905	312.428	RIZMTHURUJAYKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070903
CCCCOCCNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104288450	312.428	FBTSGHJJVQMQLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070904
CCCOCCCNc1sc2c(n1)C(CC2)C(=O)OCC	PC-id_104289205	312.428	UGKIMDKHQBUVGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070905
CCOCCN(c1nc2c(s1)CCC2C(=O)OCC)CC	PC-id_104288711	312.428	YUJUGDPIUJIUAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070906
CCOC(=O)C1CCc2c1nc(s2)N(CCOC(C)C)C	PC-id_104289132	312.428	BSYZJUGXQGHZRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070907
CCOC(=O)C1CCc2c1nc(s2)NCC(OCC)(C)C	PC-id_114944593	312.428	USIFKCLMGSKHJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070908
CCOC(=O)C1CCc2c1nc(s2)NCCOCC(C)C	PC-id_116439176	312.428	APRQCYRUMPYBLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070909
COCC(C(C)C)Nc1nc2c(s1)CCC2C(=O)OCC	PC-id_104288922	312.428	VDKKWMKTOOXQCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070910
COCCCCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_105944788	312.428	ZIGUELIFGMRKKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070911
COCC(N(c1nc2c(s1)CCC2C(=O)OCC)CC)C	PC-id_104288115	312.428	GKGWWJULRLZDBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070912
COCCN(c1nc2c(s1)CCC2C(=O)O)C(CC)CC	PC-id_104288448	312.428	QQEOGBUTHPIATP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070913
COCCN(c1nc2c(s1)CCC2C(=O)OCC)C(C)C	PC-id_104289207	312.428	BCIFDXBEMHSHFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070914
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)n1	MCULE-9962939339	312.429	CNHJOCILOQCRDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070915
Cc1ccc(cc1)N1CCC(C1=O)NC1CCc2c1scc2	EMOLS-id_318722769,MCULE-6410966933	312.429	TVCTYYWTDPRAJX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-070916
CC1CC(C(=O)N1c1ccccc1)NC1CCc2c1scc2	MCULE-2201928695,EMOLS-id_318613905	312.429	NOKWFYIAISUBPK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-070917
CC(C)c1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_181474938,PC-id_84560022	312.429	CNHJOCILOQCRDM-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-070918
O=C1CCCN1c1ccc(cc1)CNC1CCc2c1scc2	EMOLS-id_318556431,MCULE-7558254484	312.429	OFJLXWHTGXDDKQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-070919
O=C1CCCN1c1cccc(c1)CNC1CCc2c1scc2	MCULE-7709195967,EMOLS-id_318471563	312.429	KNVJGSBPURNBRA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-070920
O=C1CC(CN1Cc1ccccc1)NC1CCc2c1scc2	EMOLS-id_318723896,MCULE-4772347540	312.429	SQWZGRAIQQHXRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070921
O=C1C(CCN1Cc1ccccc1)NC1CCc2c1scc2	MCULE-5899672861,EMOLS-id_318493250	312.429	QVZRUFDFNKUNPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070922
O=C(c1cc2c(s1)CCC2)N1CCC(c2ccncc2)CC1	ZINC22_12117372,PC-id_16668516,MCULE-3960461086,AEM-11160035,EMOLS-id_406266	312.429	NPHZBOVRBVRYSY-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-070923
O=C(c1sc2c(c1)CCC2)N1CCC(C1)Nc1ccccc1	MCULE-3170754417,EMOLS-id_318652550	312.429	CXUHPEXWUOLRFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070924
O=C(c1sc2c(c1)CCC2)N1C[C@H]([C@@H](C1)N)c1ccccc1	MCULE-4752505628,PC-id_120749248,EMOLS-id_302500731	312.429	QGGNXWQJZULSLC-LSDHHAIUSA-N	00000010100000110000100010000000000000000000000000000000	25-01-070925
O=C(Nc1ccccc1N1CCCC1)c1cc2c(s1)CCC2	PC-id_37084167,EMOLS-id_48955305,CoCoCo_3678572,ZINC22_29830179,MCULE-4803715281	312.429	QFDDBZRYTQDHCW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-070926
s1c2CCCc2cc1C(=O)NN=Cc1c(cc(cc1C)C)C	PC-id_85015558	312.429	ZBQBVCOTSOSZIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070927
s1c2CCCc2cc1C(=O)NN=Cc1ccc(C(C)C)cc1	PC-id_85015519	312.429	HIYRBYDUOORSQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070928
CC1CC(C1)(C)CS(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_319290886	312.431	DXMMEZWLRPBGBQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-070929
CC1CC(c2n1ccn2)NS(=O)(=O)N(C1CCCCC1)C	EMOLS-id_101320475	312.431	RINLBOVZFPSBES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070930
CC1CCC(C1)CS(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_319212117	312.431	MKIAVIUTZABPJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070931
CC1(C)CCCN1CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101301036	312.431	QGQWCMKSSDBAEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070932
CC1(C)CCCNC1CNS(=O)(=O)c1cnc2n1CCC2	PC-id_120875880	312.431	YLFPPCKXADFYCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070933
CC1CCCN(C1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201077	312.431	WZSDEXVHPIJGKQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070934
CC1CCN(CC1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184394	312.431	CCLJHBALZQKJSX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070935
CCC1CCN(CC1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318767952	312.431	GTYMQAQNHMBLBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070936
CCC1CN(CC)CCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101315496	312.431	GKXUUBUWYSCFHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070937
CCC1CN(C)CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99489962	312.431	INEJTCDYVKRLMG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-070938
CC(c1nn2c(c1)CCC2)NC1CCCN(C1)S(=O)(=O)C	EMOLS-id_101837695,MCULE-5412157340	312.431	FMYJUXQENXQFJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070939
CC(c1nn2c(c1)CCC2)NC[C@H]1CCCN1S(=O)(=O)C	EMOLS-id_101842801	312.431	UMSKJIZOHBXSLM-GLGOKHISSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070940
CC(c1nn2c(c1)CCC2)NCCN1CCS(=O)(=O)CC1	EMOLS-id_319104529	312.431	ALLAWFPZAABOFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070941
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1CCCCC1	EMOLS-id_98765517	312.431	WARAHBJSYXHKST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070942
CC(c1nnc2n1CCC2)NS(=O)(=O)CCC1CCCC1	EMOLS-id_101293257	312.431	RLBUEBUJRHKHMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070943
CC(CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100203114	312.431	VZPBVPJEZFKMOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070944
CCC(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101312614	312.431	KIWLXIPOQPYVJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070945
CCCN(S(=O)(=O)c1cnc2n1CCC2)C1CCNCC1	PC-id_120875573,EMOLS-id_302858903,MCULE-2242721727	312.431	HUSPNUYFAWONKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070946
C[C@@H](N[C@H]1CCCN(S(=O)(=O)C)C1)c1cc2n(n1)CCC2	ZINC22_333912600	312.431	FMYJUXQENXQFJS-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070947
C[C@H](N[C@@H]1CCCN(S(=O)(=O)C)C1)c1cc2n(n1)CCC2	ZINC22_333912601	312.431	FMYJUXQENXQFJS-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070948
C[C@H](N[C@H]1CCCN(S(=O)(=O)C)C1)c1cc2n(n1)CCC2	ZINC22_333912602	312.431	FMYJUXQENXQFJS-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070949
C[C@@H](N[C@@H]1CCCN(S(=O)(=O)C)C1)c1cc2n(n1)CCC2	ZINC22_333912603	312.431	FMYJUXQENXQFJS-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070950
CC(N1CCCC(C1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100949772	312.431	KUDIGTMGJTYSIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070951
CCN1CC(C)N(CC1C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100207099	312.431	IMZCBGDSXXDEIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070952
CCN(CC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100215883	312.431	LJLMCSBCLIWQPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070953
CCNCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	MCULE-2771555554,PC-id_121703160,EMOLS-id_303021186	312.431	WYSUGTZSVOSGEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070954
CC(NS(=O)(=O)c1cnc2n1CCC2)(CN1CCCC1)C	EMOLS-id_101300535	312.431	FWEKHHAFURRYDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070955
CC(NS(=O)(=O)c1cnc2n1CCC2)CN1CCCCC1	EMOLS-id_100122699	312.431	CHUKJTAMCQCUNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070956
CN1CCC(CC1)CN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100180526	312.431	ADWSJDORMMZKTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070957
CN1CCC(C(C1)C)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100205308	312.431	PGMZPZHRXKHBOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070958
CN1CCC(CC1C)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100211242	312.431	RWDPIPVOWONLHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070959
CN1CCCC(C1)CN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100227334	312.431	ZBNUVKDIRAZEJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070960
CN(C1(CCC1)CN(S(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_101178478	312.431	QFGAVPCVNGBLAH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-070961
CN(C1(CCCC1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100201065	312.431	TVVLFFQCMXKNCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070962
CN(C1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100698240	312.431	CTYUJLPBTMPURM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-070963
CNCCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	PC-id_120876090,EMOLS-id_302890143,MCULE-9290546244	312.431	VOIQYGNDQAAXFF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070964
CNCCCNC(=O)CCCC[C@@H]1SCc2c1[nH]c(=O)[nH]2	SCHEMBL18513083	312.431	FUCZVSVANJFJFZ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-070965
CN(S(=O)(=O)NCc1n[nH]c2c1CCC2)C1CCCCC1	EMOLS-id_318818339	312.431	BBGSUXQVWKXETE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070966
NC1(CCCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	MCULE-3385501745,EMOLS-id_302894229,PC-id_120875667	312.431	CKSOAPMDDCSFBA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-070967
NCC1(CCCCC1C)NS(=O)(=O)c1cnc2n1CCC2	PC-id_121705631	312.431	LAKSOXDQTIJTTK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070968
NCC1CN(C(CC1C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102117838	312.431	UOUNFGLDWXLSMJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070969
NCC(C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	PC-id_121702111	312.431	BMUPSHCCZFONRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070970
O=S(=O)(NCc1nnc2n1CCC2)CCC1CCCCC1	EMOLS-id_101281011	312.431	XNIZDKHWDBAWLJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070971
CCc1cccc(c1NC(=S)NN=C1CCn2c1ccc2)C	MCULE-5864365111,EMOLS-id_44522158,PC-id_71899675	312.433	UAWJPBGBIBDGQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-070972
CCc1cccc(C)c1NC(=S)N/N=C
/CCn2cccc12	ZINC22_83827680,PC-id_75362262	312.433	UAWJPBGBIBDGQP-RGEXLXHISA-N	00000010100000110000000010000000000000000000000000000000	25-01-070973
N#Cc1ccc(nc1NCc1sc2c(n1)CCC2)C(C)(C)C	EMOLS-id_318387113,MCULE-9349969202	312.433	QNPXQAKXTRISEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-070974
CC(C(=O)Nc1sc2c(n1)CCC2)Sc1scnn1	MCULE-6111489976,PC-id_47302424,EMOLS-id_33310557	312.434	KJDNFDCSUARVKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070975
C[C@H](Sc1nncs1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_49486096,PC-id_94219106	312.434	KJDNFDCSUARVKA-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-070976
C[C@@H](Sc1nncs1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_49486099,PC-id_94219107	312.434	KJDNFDCSUARVKA-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070977
O=C(C1CCCC(C1)S(=O)(=O)C)c1sc2c(c1)CCC2	PC-id_115786047	312.447	FAQBUATWVHKNFQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-070978
c1(NC(=O)CCCSC)sc2c(CCC2)c1C(=O)NC	MCULE-6264242827,EMOLS-id_334333650	312.451	FXKWQHUCBCSXLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070979
CSC1CCN(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_101656525	312.454	JRBKOPQJPLRIBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071002
c1(NC(=S)NCCCC)sc2c(CCC2)c1C(=O)OC	PC-id_8748118,TIMTEC21735,MCULE-8114863111,EMOLS-id_30081116,CoCoCo_6964797,ZINC22_7641434,SPECS-id_AO-476/43417031	312.451	JYSSOFFEYNPJLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070980
CCOC(=O)C1CCc2c1nc(s2)NC1CCCSC1	PC-id_116312885	312.451	YMDLCAGKWIJWFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070981
CCOC(=O)C1CCc2c1nc(s2)NC1CCSCC1	PC-id_116312903	312.451	QXVWOTVGPGNNRF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070982
CCOC(=O)C1CCc2c1nc(s2)N(C1CSCC1)C	PC-id_104287842	312.451	AFBGGDICSXEFOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070983
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCS1	PC-id_104289109	312.451	SQOAXTGHSDIGND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070984
CCOC(=O)C1CCc2c1nc(s2)NCC1CSCC1	PC-id_107298661	312.451	SPPWDJLBWZOFES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070985
CCOC(=O)C1CCc2c1nc(s2)NCC1(SC)CC1	PC-id_105830014	312.451	VVOGYFLXIQDJQZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-070986
CCSC1CCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_105865983	312.451	HETKVWSXULHAQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070987
CCSC1CCC(C1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105883875	312.451	NIWAPLDBOCTJGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070988
CSC1(CCCC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105830084	312.451	MEXXSFMDIHYXQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-070989
CSC1CCCCC1Nc1nc2c(s1)CCC2C(=O)O	PC-id_105883796	312.451	FEYDDPSPOPUYOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070990
CSC1CCC(CC1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_105883813	312.451	YNENGQIIKCLXPW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070991
CSC1CCCC(C1)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_105883778	312.451	BTFAJDBAENSBCM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070992
s1c2c(cc1C(=O)NCCCN1CCOCC1)CSC2	PC-id_3236764,CHEMBL1440663	312.451	VYMBTBUYXYNWEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-070993
s1c2CCCc2cc1C(=O)N(CCC(=S)N)CCOC	PC-id_63287164	312.451	FULSSNOPDPHEPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070994
s1c2c(CCC2)c(c1NC(=S)NCC(C)C)C(=O)OC	PC-id_19650641	312.451	SPZIIMALBWFPKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070995
s1c2c(CCC2)c(c1NC(=S)NC(C)(C)C)C(=O)OC	PC-id_19651918	312.451	QCHQFBRWSJGUPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070996
s1c2c(CCC2)c(c1NC(=S)NC(CC)C)C(=O)OC	PC-id_19652084	312.451	VZQVCNGMSFWJLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070997
s1c2c(CCC2)c(c1NC(=S)N(CC)CC)C(=O)OC	PC-id_19652966	312.451	WQJXUCLHMTUCNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070998
s1c2c(CCC2)c(c1NC(=S)NC(C)C)C(=O)OCC	PC-id_8729334	312.451	KEYIXLCPZPQWAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-070999
c1(CN(C)C)n(C(C)(C)C)nc2CN(Cc3ccccc3)Cc12	EMOLS-id_324350056,MCULE-1768797643	312.452	LENBQEHRSLUJFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071000
CC1CSCCN1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99864830	312.454	IORRFYMINSRIDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071001
O=C(NC1CCCSC1)NCCc1nc2n(c1)CCS2	EMOLS-id_318283252	312.454	DDSJZASNJFSQMA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071003
O=C(NC1CSC(C1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_101701559	312.454	LXBNMYXXLUFEML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071004
O=C(N(C1CSCC1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99909240	312.454	XZESQVDIHSASAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071005
O=C(Nc1n(C)nc2c1CCC2)CN1CSCCSC1	EMOLS-id_258039075,MCULE-9175862088	312.454	LBSCMKPZMVMEOI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-071006
s1c2CCCc2cc1C(=O)NNC(=S)NCCN(C)C	PC-id_8746006	312.454	VXLXHAQXXHXHEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071007
s1c(nc2c1CCC2)C(NCCOC)(CC(OC)(C)C)C	PC-id_62542266	312.471	LVIIQYIOYYWDSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071008
CCCCCCCCCCc1sc2c(c1)S(=O)(=O)C=C2	PC-id_141147188	312.491	YGWLXUVXBNNZCF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-071009
O=C(c1ccc(c(c1F)F)Cl)NC1CC(n2c1ncn2)C	EMOLS-id_319259003	312.702	OJFJYYQLHRAOGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071010
Clc1nc2S(=O)(=O)CCn2c1C(=O)Nc1ncccc1	PC-id_45028233,NSC741792	312.732	ASQGTRROLNWDRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071011
COc1cc(F)c(Cn2nc3CCC(C)c3c2Cl)c(F)c1	EMOLS-id_331020719,MCULE-3701190225	312.742	AJACJTNADSMSOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071012
COc1cc(F)c(Cn2nc(Cl)c3C(C)CCc23)c(F)c1	EMOLS-id_330974195,MCULE-1487369693	312.742	WKZWMVYNDMBFGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071013
CC1CC(c2n1ncn2)NCC(c1ccc(cc1)Cl)(F)F	MCULE-8186978828,EMOLS-id_318639253	312.746	UKRAUVZDAQYZML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071014
Clc1c(CC(=O)Nc2onc3c2CSC3)c(F)ccc1	PC-id_49720119	312.747	MMSBLWNHJXRXOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071015
Clc1sc2CCC(Nc3cc(F)c([N+](=O)[O-])cc3)c2c1	PC-id_81762198	312.747	GFYKFYBYAZSVTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071016
Clc1sc2CCC(Nc3cc([N+](=O)[O-])ccc3F)c2c1	PC-id_81235047	312.747	GKPHXZDGPWJZFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071017
Clc1sc2CCC(Nc3cc([N+](=O)[O-])c(F)cc3)c2c1	PC-id_81234683	312.747	PBDUKLIFBRVSDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071018
Clc1sc2CCC(Nc3c(F)cc([N+](=O)[O-])cc3)c2c1	PC-id_81246574	312.747	VJGWGXKGUQTZMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071019
Clc1sc2CCC(Nc3c([N+](=O)[O-])cccc3F)c2c1	PC-id_81305944	312.747	MAJPSCNQJYLYOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071020
Clc1sc2CCC(Nc3c([N+](=O)[O-])ccc(F)c3)c2c1	PC-id_81559495	312.747	GQXDCTMKEPMLHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071021
Clc1sc2CCC(Nc3c([N+](=O)[O-])cc(F)cc3)c2c1	PC-id_81233739	312.747	QOBVKULHNAAQOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071022
Fc1cc(cc(c1)[N+](=O)[O-])NC1CCc2c1cc(s2)Cl	PC-id_107334450	312.747	UVNXOIMEKVWYMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071023
Fc1ccc(CNC(=O)C2COc3ncsc23)c(Cl)c1	SCHEMBL15903774,PC-id_78318479,BindingDB-id_412884,BindingDB_PC-id_78318479	312.747	AMLZCGQAJVDEFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071024
Fc1cc(Nc2sc3c(n2)C(CC3)C(=O)O)cc(c1)Cl	PC-id_107371010	312.747	LXUKUMXOFIVDLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071025
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Cl)F	PC-id_104287399	312.747	LACHWCMECWRLBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071026
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)Cl)F	PC-id_104287416	312.747	VMNNNETVCYVZAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071027
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1F)Cl	PC-id_104287686	312.747	XPBKXPGJVNCLCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071028
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)F)Cl	PC-id_104288391	312.747	VCHRABKZZNWDST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071029
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1F)Cl	PC-id_104288502	312.747	OKJXPLCPYWOJDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071030
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)ccc1F	PC-id_104287882	312.747	MYPLGSLPVDYAII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071031
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)ccc1Cl	PC-id_107531734	312.747	RJMSGPXTKJWJAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071032
OC(=O)C1CCc2c1nc(s2)Nc1c(F)cccc1Cl	PC-id_116473538	312.747	SHUXMCWYRMXYEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071033
Clc1nc(cc(n1)c1ccccc1)Nc1n[nH]c2c1CNC2	SCHEMBL13383275,PC-id_59136208	312.757	NDWDQILVVVBCMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071034
Clc1cccnc1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319402329	312.775	WATRNLVCMMAPRV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071035
Clc1ccc(S(=O)(=O)NCc2n3CCCc3nn2)cc1	PC-id_52024828	312.775	MVHHALUTBRWQDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071036
Clc1cncc(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318578852	312.775	XHIPNOASCFEVJR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071037
Clc1cncc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319116525	312.775	PEVFSLPXLAIPMI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071038
O=S(=O)(NCc1nnc2n1CCC2)c1ccccc1Cl	PC-id_45802646,ZINC22_44894079,EMOLS-id_31867798,MCULE-7893547182	312.775	UEEXTZOZXJREGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071039
O=S(=O)(NCc1nnc2n1CCC2)c1cccc(Cl)c1	MCULE-9040521515,PC-id_51074961,EMOLS-id_31867796,ZINC22_48300421	312.775	DUMDIUZXPSNCEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071040
COCCn1ncc(c1C(c1sc2c(c1)CCC2)O)Cl	PC-id_115839313	312.815	URHFUEHNGAGJMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071041
Clc1sc2c(C(NC(C(=O)N3CCCCC3)C)CC2)c1	PC-id_81251612	312.858	PGCHRFMNVPSEEG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071042
ClCCN1CCCN(CC1)C(=O)c1sc2c(CCC2)c1	PC-id_63394788	312.858	KCRVJCUUNDUEJV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-071043
O=C(N1CCCCC1)CCNC1CCc2c1cc(s2)Cl	PC-id_115897079	312.858	PYHPZDKUOGRGIZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071044
CCc1cnc(s1)C(NC1CCc2c1cc(s2)Cl)C	PC-id_104212786	312.881	NZNMKJSNGQGCPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071045
Clc1sc2c(C(NC(c3sc(nc3C)C)C)CC2)c1	PC-id_81252799	312.881	FDAHQASJSHQODN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071046
Clc1sc2c(C(NC3CC(NC(C3)(C)C)(C)C)CC2)c1	PC-id_81251402	312.901	SFWKLFALKVWHLD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071047
Clc1sc2c(C(NC3CCN(CC3)C(C)(C)C)CC2)c1	PC-id_81251850	312.901	RYHHTRMZPZLJDF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071048
Clc1sc2c(C(NC3CCN(CC3)CCCC)CC2)c1	PC-id_81252488	312.901	DZDAKDNAOKGFRX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071049
Clc1sc2c(C(NCC3(N(C)C)CCCCC3)CC2)c1	PC-id_81252159	312.901	KSLGIFYXLVKXGY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071050
Clc1sc2c(C(NCC(CN3CCCCC3)C)CC2)c1	PC-id_81251851	312.901	CTHCWBKFALFABR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071051
Clc1sc2c(C(NCCCN3C(CCCC3)C)CC2)c1	PC-id_81252040	312.901	UGZSSPZUEWKMIR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071052
Clc1sc2c(C(NCCCN3CCC(CC3)C)CC2)c1	PC-id_81252046	312.901	KSXAMNFILSLPPN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071053
Clc1sc2c(C(NCC(N3CCCC3)C(C)C)CC2)c1	PC-id_81252048	312.901	QRBFGFGTTUPHIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071054
Brc1nc(I)n2CCCc12	EMOLS-id_337122528	312.934	CBCGRHXXYVAHKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071055
C1CN2C(=NC(=N2)Br)C1OC3=CC(=CC=C3)Cl	PC-id_153606612	312.962	CITGIAPAPPGBJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071056
C1CN2C(=NC(=N2)Br)C1OC3=CC=C(C=C3)Cl	PC-id_153606624	312.962	FGNOFZUZLLIIOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071057
C1C[C@@H](OC1)CNC(=O)C2=C(N3CCCC3=N2)Br	PC-id_164640075,ZINC22_585089474	313.043	POBWXWOJNVVLQK-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071058
C1CN(C2=NC=CN21)CC3=CC=C(C=C3)S(=O)(=O)C(F)F	PC-id_154779783	313.07	NZJLEUVIVSEILO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071059
C1CC2=C(C1)SC(=C2)C(=O)OCCOC3=CC=C(C=C3)C#N	MCULE-8531487890,EMOLS-id_317310904,PC-id_154752502	313.077	LMYHRUHIJDDUKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071060
NC(=O)C1CN(C1)C(=O)c1c(Br)nc2n1CCC2	EMOLS-id_319741551	313.151	VNELWBNUWZLUIH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-071061
n12ncnc1sc(=CNc1ccc(c(Cl)c1)Cl)c2=O	MCULE-8559816136	313.163	MSMVENXXWJCXNT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071062
O=c1/c(=C/Nc2ccc(Cl)c(Cl)c2)/sc2ncnn12	PC-id_117588262,ZINC22_256055603	313.163	MSMVENXXWJCXNT-WTKPLQERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071063
C1CN(CCN1)C(=O)N2CC3=C(C2)NN=C3NC4=CC=CC=N4	PC-id_153916744	313.165	NNFBHBMGUKYJGF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-071064
Brc1ccc(o1)C(=O)Nc1nc2CCCc2s1	ZINC22_11917676,EMOLS-id_9875108,TIMTEC327684,CoCoCo_6310387,PC-id_16456019,MCULE-7477089051	313.17	NDDGZDMDBFWUHB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071065
O=C(c1ccoc1Br)Nc1sc2c(n1)CCC2	PC-id_106853779	313.17	TYJMROZVXHVDBT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071066
Brc1cnsc1C(=O)N1Cc2c(C1)cnn2C	MCULE-1169371089,EMOLS-id_320133892	313.174	PYQMESBWNCYQJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071067
C1Cc2c(C1)sc(n2)Nc1c(c(=O)[nH]cn1)Br	PC-id_136971058	313.174	LLUVRZMUBZSLBF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-071068
O=C(c1nn2c(c1Br)CCC2)Nc1nscc1	EMOLS-id_319558431	313.174	OERGDMGFJGMBHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071069
O=C(c1sncc1Br)NC1CCn2c1cnc2	EMOLS-id_320189174,MCULE-3987169063	313.174	IWCYPYUMHCFJLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071070
O=C(c1sncc1Br)NC1CCn2c1ncc2	EMOLS-id_319323793	313.174	OUAMNDCDVRXLKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071071
O=C(N1CCn2c1ncc2)c1c(Br)snc1C	EMOLS-id_319242541	313.174	IOTFEIIYGJLDKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071072
COc1cc(Cl)c(cc1NC1CC(n2c1ncn2)C)Cl	EMOLS-id_318525163,MCULE-7618191875	313.182	GQSFRKVNGKBOKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071073
CCCCCCC1CCN2C1=CC=C2C(=O)C3=CC=C(C=C3)F	PC-id_153879322	313.184	IBEQLOTWBZHYII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071074
CC1CCc2c1c(CCl)nn2Cc1cccc(Cl)c1F	EMOLS-id_331024398,MCULE-3095622069	313.197	ZRLWLROCPHRMAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071075
CC1CCc2c1c(CCl)nn2Cc1cccc(F)c1Cl	EMOLS-id_331022350,MCULE-8780361304	313.197	FGHCRCSWSRFFNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071076
CC1CCc2c1c(CCl)nn2Cc1ccc(Cl)cc1F	MCULE-3145492224,EMOLS-id_331024910	313.197	QTZBDNOWWNDARS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071077
CC1CCc2c1c(CCl)nn2Cc1ccc(Cl)c(F)c1	MCULE-3508391840,EMOLS-id_331022351	313.197	XLBPKLHYYWYQRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071078
CC1CCc2c1c(CCl)nn2Cc1ccc(F)cc1Cl	EMOLS-id_331025933,MCULE-5398483591	313.197	BYITUKJYGDVJDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071079
CC1CCc2c1c(CCl)nn2Cc1ccc(F)c(Cl)c1	EMOLS-id_331024142,MCULE-5662471768	313.197	LLFRGWWBDXGJBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071080
CC1CCc2c1c(CCl)nn2Cc1cc(F)ccc1Cl	MCULE-2881316184,EMOLS-id_331026189	313.197	MTBYOQBOUZNGRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071081
CC1CCc2c1c(CCl)nn2Cc1cc(F)cc(Cl)c1	EMOLS-id_331024654,MCULE-5667801414	313.197	LYNXLHGFLNFNPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071082
CC1CCc2c1c(CCl)nn2Cc1c(F)cccc1Cl	MCULE-3031662389,EMOLS-id_331025677	313.197	GCXOUQZJOQOEIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071083
CC1CCc2nn(Cc3cccc(Cl)c3F)c(CCl)c12	EMOLS-id_331008440,MCULE-9725994249	313.197	AOAMGCPISFGMKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071084
CC1CCc2nn(Cc3cccc(F)c3Cl)c(CCl)c12	MCULE-5966663778,EMOLS-id_331006392	313.197	BGERXXKJPWVAPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071085
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(CCl)c12	EMOLS-id_331008952,MCULE-9038664860	313.197	ZDEVYTYYFXNSIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071086
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(CCl)c12	EMOLS-id_331006393,MCULE-3474378456	313.197	CIABHZYEYMQORV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071087
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(CCl)c12	EMOLS-id_331009975,MCULE-9895876850	313.197	LZLFUGFOLGRHMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071088
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(CCl)c12	EMOLS-id_331008184,MCULE-9234978245	313.197	POBDXGMVVLZKMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071089
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(CCl)c12	MCULE-9117634923,EMOLS-id_331006136	313.197	QFFSELNMMBHSFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071090
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(CCl)c12	MCULE-4235114749,EMOLS-id_331008696	313.197	ZNPNDFOJHUOBTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071091
CC1CCc2nn(Cc3c(F)cccc3Cl)c(CCl)c12	MCULE-4766376683,EMOLS-id_331009719	313.197	JSMLTALJFGBGHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071092
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1Cl)Cl	EMOLS-id_323447599,PC-id_4549577,MCULE-8707789072	313.202	DGDMTMOZQSTFLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071093
c1(snc2CCCc12)NC(=O)c1ccc(cc1Cl)Cl	PC-id_54774438,MCULE-5703398167	313.202	MMTOITMMJMYJJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071094
Clc1ccc(cc1Cl)C(=O)Nc1nc2CCCc2s1	MCULE-3148486504,EMOLS-id_21277356,PC-id_4334647,ZINC22_6453114,CoCoCo_4164275	313.202	AUYQRTZSBGFPFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071095
Clc1ccc(Cl)c(c1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_21277432,PC-id_4690134,MCULE-5588240620,ZINC22_6526210,CoCoCo_4164057	313.202	KRWXDOQKUCEZFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071096
Clc1cc(Cl)cc(c1)C(=O)Nc1nc2CCCc2s1	PC-id_24246063,EMOLS-id_17206971,CoCoCo_4164058,MCULE-9456383960,ZINC22_15636422	313.202	DPPOOGZZDZOHRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071097
Clc1c(C(=O)Nc2sc3CCCc3n2)c(Cl)ccc1	PC-id_4380284	313.202	SVVGBBDJFMTENR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071098
O=C(Nc1nc2c(s1)CCC2)c1cccc(Cl)c1Cl	PC-id_25524314,CoCoCo_4164056,MCULE-5809531952,ZINC22_12803844,EMOLS-id_18842338	313.202	FYUBSANSUPAKSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071099
ClC(=CC1Sc2n(N1)c(nn2)C)c1ccc(Cl)cc1	PC-id_10781458	313.206	PFYFAPMDHYGOIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071100
Brc1ccc(o1)CNCc1sc2c(n1)CCC2	EMOLS-id_318436179,MCULE-2361863502	313.213	UUFUPZKKUDHNDQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071101
Brc1ccoc1CNCc1sc2c(n1)CCC2	EMOLS-id_318436435,MCULE-7778530184	313.213	ZAOTYZZIUAYSGL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071102
Brc1cnn(c1C(c1sc2c(c1)CCC2)O)C	PC-id_113665650	313.213	XPNRGVVCLAPTEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071103
c1(NC(=O)C(CC)Br)sc2c(CCC2)c1C#N	EMOLS-id_39425417,MCULE-9494056287,PC-id_55126157	313.213	JGDSAPBLIFUAKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071104
Cc1ncc(o1)CNC1CCc2c1cc(s2)Br	MCULE-7164300329,EMOLS-id_317967439	313.213	PGDWIYWUIXXPLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071105
Cc1noc(c1)CNC1CCc2c1cc(s2)Br	EMOLS-id_317951264,MCULE-5395860323	313.213	XKFRCGBDXSCCMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071106
N#Cc1c(sc2c1CCC2)NC(=O)C(Br)(C)C	PC-id_114327380	313.213	DGJGXOTYOOOLOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071107
NNC(c1occc1Br)c1sc2c(c1)CCC2	PC-id_105309108	313.213	WCFLDJNNERNHMY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-071108
Brc1ccc(CNCc2nnc3n2CCC3)s1	MCULE-6873855916,PC-id_37786594,ZINC22_30653039,EMOLS-id_300787007,CHEMBL3553157	313.217	HCYZJARJGOTUJG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071109
Brc1cc(CNCc2nnc3n2CCC3)cs1	ZINC22_30652310,MCULE-5955715364,CHEMBL3553158,PC-id_37785677	313.217	UQDDJYBDXIEIOU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071110
Brc1cnn(c1)CCNc1sc2c(n1)CCC2	MCULE-8828612853,EMOLS-id_318397543	313.217	GFMYXGJPRHHBGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071111
Brc1cnn(c1CNc1sc2c(n1)CCC2)C	EMOLS-id_318397287	313.217	GUEGQSSJKDPSIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071112
Brc1cscc1CNCc1nnc2n1CCC2	EMOLS-id_318420330,MCULE-7582607058	313.217	UXYOGQCVXJAIEI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071113
Brc1csc(CNCc2nnc3n2CCC3)c1	MCULE-7270287081,ZINC22_30653060,EMOLS-id_45750886,PC-id_37786620	313.217	ATANYIJKJWKTBR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071114
Brc1csc(n1)CNC1CC(n2c1ncc2)C	EMOLS-id_318557340	313.217	DQJJSFWMIUKDGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071115
Brc1nnn(c1C(c1sc2c(c1)CCC2)N)C	PC-id_106464660	313.217	BSRMXGPGWXNXIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071116
Brc1sc2c(c1)C(CC2)NCc1cnnn1C	EMOLS-id_317923209	313.217	BCJIXIAMLDRPIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071117
Brc1sc2c(c1)C(CC2)NCc1ncnn1C	EMOLS-id_317970255	313.217	YHHCBPLKFABLEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071118
Brc1sc2c(c1)C(CC2)NCc1nncn1C	EMOLS-id_317950496	313.217	PUOZOJVSHUOCAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071119
Cn1cnc(n1)CNC1CCc2c1cc(s2)Br	EMOLS-id_317959444	313.217	VIYUFZKPXFFQIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071120
Cn1nc(c(c1)Br)NCc1sc2c(n1)CCC2	EMOLS-id_318426475	313.217	MKCNSUKEHGFMFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071121
O=C(c1cc2n(n1)CCO2)Nc1ccc(cc1)OC(F)(F)F	EMOLS-id_318600887	313.232	SFTZCJAEQZIEKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071122
O=C(c1nn2c(c1)OCC2)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_318420338	313.232	DWVYBNDPSURIIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071123
O=C(c1nn2c(c1)OCC2)Nc1ccccc1OC(F)(F)F	EMOLS-id_318640093	313.232	ATJUJBHNEDMQBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071124
Brc1ccc(s1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_38063776,PC-id_61104358	313.233	FPZFGNKXVIVYBZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071125
Brc1ccsc1C(=O)c1sc2c(c1)CCC2	EMOLS-id_314815206,PC-id_80535091	313.233	DRIMNNDLARAXDD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071126
Brc1cscc1C(=O)c1sc2c(c1)CCC2	PC-id_115784190	313.233	GHGDYUVQZLOVIN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071127
CC(C1CCCOC1)n1nc2CCC(C)c2c1Br	EMOLS-id_331019937,MCULE-4634772763	313.233	CCAHSYCSJFZFJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071128
CC(C1CCOC1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015859,MCULE-7575715200	313.233	ZJLXDEMVIYYKPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071129
CC(C1CCOCC1)n1nc2CCC(C)c2c1Br	EMOLS-id_331019425,MCULE-2144824451	313.233	ACYQMFUXGIHAKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071130
Clc1ccc(c(c1)CC(c1sc2c(c1)CCC2)O)Cl	PC-id_115801907	313.242	KVLLFMXIHJYHOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071131
Clc1ccc(c(c1)Cl)CC(c1sc2c(c1)CCC2)O	PC-id_115785007	313.242	JHFMBCCANPXYIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071132
Clc1cc(CC(O)c2sc3c(CCC3)c2)ccc1Cl	PC-id_63046333	313.242	LQVHWNOVVVWZEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071133
ClC(c1sc2c(CCC2)c1)c1cc(Cl)c(OC)cc1	PC-id_63430822	313.242	QHLKIAPBMYKNGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071134
ClC(c1sc2c(CCC2)c1)c1c(Cl)cc(OC)cc1	PC-id_63434165	313.242	IMSYVMCAZHFVIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071135
COc1ccc(cc1C(c1sc2c(c1)CCC2)Cl)Cl	PC-id_113425523	313.242	BJGSQVKIRQESDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071136
OC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)Cl	PC-id_107312537	313.242	VFDLAGXYNDGQMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071137
OC(c1sc2c(c1)CCC2)Cc1c(Cl)cccc1Cl	PC-id_115782416	313.242	DKGOEQBATGKJTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071138
Clc1ccc(c(c1)Cl)C(Cc1sc2c(n1)CCC2)N	PC-id_112457135	313.245	JEIJOPWMGNXWLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071139
Clc1cc(C(NC)c2sc3CCCc3n2)ccc1Cl	PC-id_61332155	313.245	XAFOKGVLBAIUMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071140
Clc1cc(C(NC)c2sc3CCCc3n2)cc(Cl)c1	PC-id_61330179	313.245	KUASTPCRMBEBKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071141
Clc1c(C(NC)c2sc3CCCc3n2)cccc1Cl	PC-id_61332538	313.245	NTGACKCXVCXANS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071142
Clc1c(C(NC)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_61330777	313.245	YFPZMAZWGPGUFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071143
Clc1c(C(NC)c2sc3CCCc3n2)c(Cl)ccc1	PC-id_61329981	313.245	JARAAQSHIUJDMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071144
CNC(c1cc(Cl)ccc1Cl)c1sc2c(n1)CCC2	PC-id_108390079	313.245	WUAQJVKGBBOHEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071145
NC(c1ccc(c(c1)Cl)Cl)Cc1sc2c(n1)CCC2	PC-id_112457137	313.245	OAKJVLBDGVRPKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071146
NNC(c1cccc(c1Cl)Cl)c1sc2c(c1)CCC2	PC-id_105301656	313.245	XTWJSVPUMMKSON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071147
NNC(c1ccc(c(c1)Cl)Cl)c1sc2c(c1)CCC2	PC-id_113699071	313.245	KSCYCNMFLOXRPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071148
NNC(c1cc(Cl)ccc1Cl)c1sc2c(c1)CCC2	PC-id_105301996	313.245	ZDCBXMAMDLFGMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071149
Cn1ncc2c1CN(C(=O)C(F)(F)c1cc(F)cc(F)c1)C2	PC-id_145908481,MCULE-7426513964,ZINC22_823334081,EMOLS-id_320347763	313.25	JLMCHJALWCURDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071150
O=C(NCc1cc2n(n1)CCC2)c1cc(F)c(F)c(F)c1F	EMOLS-id_177321646,MCULE-2188198689,ZINC22_585128148	313.25	UAKKCCOKYZCMEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071151
n12c(=O)c(=Cc3ccc(cc3)O)sc1nc(C(F)(F)F)n2	MCULE-1005822216	313.255	JNOHGMJXDATVBD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071152
n12c(=O)c(=Cc3cccc(O)c3)sc1nc(C(F)(F)F)n2	MCULE-2471270003	313.255	QKONZLYOHVRNKO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071153
Oc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324907014	313.255	JNOHGMJXDATVBD-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-071154
Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324907017	313.255	QKONZLYOHVRNKO-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-071155
OC(=O)C1CCc2c1nc(s2)COCC(C(F)F)(F)F	PC-id_103473389	313.269	NVVFIGZYMOSXCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071156
FC1(F)CN(CC1(F)F)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101778460	313.272	DBOWNBZQONPBLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071157
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCc2ccco2)n1	CoCoCo_6628327,SCHEMBL1009354,MCULE-1716334219,BAS-01939636,EMOLS-id_1359669,PC-id_798519,TIMTEC535919,ZINC22_303746	313.275	WVQQZCDOASMEJW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071158
Cc1oc(c(c1)C(=O)NCc1cnc2n1CCC2)C(F)(F)F	EMOLS-id_319054917	313.275	MEGNJHZQXIAYCS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071159
CCn1ncc(c1C(F)(F)F)NC(=O)c1occ2c1CCC2	EMOLS-id_318634361	313.275	UARWBACSEOPHJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071160
O=C(c1c(C)occ1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318854084	313.275	ZANXLERBCSOTEN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071161
O=C(c1occ2c1CCC2)Nc1nn(c(c1)C)CC(F)(F)F	EMOLS-id_318701447	313.275	VLRDHPZAHAXPAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071162
BrC(c1sc2c(CCC2)c1)c1sc(cc1)C	PC-id_63435827	313.276	SEJDUGYHHMDKHB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071163
BrC(c1sc2c(CCC2)c1)Cc1ccsc1	PC-id_63542377	313.276	WHOVSICGIKCMGR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071164
BrC(c1sc2c(CCC2)c1)Cc1sccc1	PC-id_63543276	313.276	PUIAGCNGBLVBIY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071165
Cc1cc2n(n1)CCN2C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	ZINC22_1875312572	313.278	PHZYDQWVKZZOPN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071166
Cc1cc2n(n1)CCN2C(=O)[C@H](C)n1ccc(C(F)(F)F)n1	ZINC22_1875312573	313.278	PHZYDQWVKZZOPN-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-071167
CC1CC(c2n1ncn2)Nc1ccc(nc1)OCC(F)(F)F	MCULE-9313727390,EMOLS-id_318600155	313.278	VOBLNSSANJALIW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071168
CCn1ncc(c1C(F)(F)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_318455521	313.278	ZQUFSWFJEUTYPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071169
Cn1nc(c(c1)C(=O)NCc1cnc2n1CCC2)C(F)(F)F	EMOLS-id_319225185	313.278	GLLYKGGJVGWOFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071170
COc1nc(NC2CC(n3c2ncc3)C)nc(c1)C(F)(F)F	MCULE-1861347406,EMOLS-id_318082492	313.278	QPTNIPNVOKMHBQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-071171
O=C(c1c(C)[nH]nc1C(F)(F)F)NCc1cnc2n1CCC2	MCULE-6660528278,EMOLS-id_320140822	313.278	BGHJZLNFQNZSAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071172
O=C(c1cc(nn1C)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319362850	313.278	UCXPKLWGAHXWAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071173
O=C(c1ccnn1CC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319251293	313.278	UCUPBEUWIXCSLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071174
O=C(c1cnn(c1)CC(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319523775	313.278	XCLJHLHMVZSPDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071175
O=C(c1ncn(c1)CC(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_319250145	313.278	UWVYBMARIFKWQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071176
O=C(c1ncn(c1)CC(F)(F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318882876	313.278	FUWONXZFYNEGJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071177
O=C(c1ncn(c1)CC(F)(F)F)NCc1nn2c(c1)CCC2	EMOLS-id_319799777	313.278	IKRMWMFCQWLTQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071178
O=C(c1ncn(c1)CC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319294726	313.278	WXMAEPMXKNWRCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071179
O=C(c1n(C)nc2c1CCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319720233	313.278	NDAZPOMZTXMFSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071180
O=C(c1n(C)ncc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318889783	313.278	OELRUCHGIISAQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071181
O=C(c1[nH]nc(c1C)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319798995	313.278	LQRQPUUQJMMAJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071182
O=C(c1n[nH]c(c1C(F)(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_319632541	313.278	WFYDDFWXEQLRTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071183
O=C(CC(C(F)(F)F)n1cncc1)Nc1nn2c(c1)CCC2	PC-id_146105903,MCULE-2396243343,EMOLS-id_324064110	313.278	XFFQMTVUVMCSNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071184
O=C(C[C@H](n1ccnc1)C(F)(F)F)N=c1cc2n([nH]1)CCC2	ZINC22_1875274740	313.278	XFFQMTVUVMCSNC-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-071185
O=C(C[C@@H](n1ccnc1)C(F)(F)F)N=c1cc2n([nH]1)CCC2	ZINC22_1875274741	313.278	XFFQMTVUVMCSNC-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071186
O=C(Cn1ccc(n1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319171745	313.278	BQSYCHWAMIKUOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071187
CNc1nc(Nc2cnn3CCN(C)c23)ncc1C(F)(F)F	SCHEMBL15528446,PC-id_72201491,BindingDB-id_349821,BindingDB_PC-id_72201491	313.282	DETCTMVFPAAUFQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-071188
O=C(NNC(=O)c1c(cccc1)C(=O)[O-])c1n[nH]c2CCCc12	PC-id_35203973	313.288	ZSRAKZCUZBGBJP-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-071189
CC1CCc2c1c(N)nn2Cc1cc(ccc1F)C(F)(F)F	EMOLS-id_330961653,MCULE-7145823537	313.293	QHHKXMPLIYNTMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071190
CC1CCc2c1c(N)nn2Cc1cccc(c1F)C(F)(F)F	EMOLS-id_330964980,MCULE-1041358465	313.293	BHIKAJNOKIWHKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071191
CC1CCc2c1c(N)nn2Cc1ccc(cc1F)C(F)(F)F	MCULE-6228807111,EMOLS-id_330964723	313.293	VWOXWOPBDJJHBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071192
CC1CCc2c1c(N)nn2Cc1ccc(c(F)c1)C(F)(F)F	EMOLS-id_330964979,MCULE-4506327508	313.293	GQOBNSSFCHIRNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071193
CC1CCc2c1c(N)nn2Cc1ccc(F)c(c1)C(F)(F)F	EMOLS-id_330961141,MCULE-4771577346	313.293	UCJXOYWTHBACQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071194
CC1CCc2c1c(N)nn2Cc1ccc(F)cc1C(F)(F)F	EMOLS-id_330963188,MCULE-2765932677	313.293	MGWYXIXMZJVGNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071195
CC1CCc2c1c(N)nn2Cc1cc(F)cc(c1)C(F)(F)F	EMOLS-id_330961397,MCULE-6795075307	313.293	VSOXANIWFNFLSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071196
CC1CCc2c1c(N)nn2Cc1cc(F)ccc1C(F)(F)F	MCULE-8060608432,EMOLS-id_330963444	313.293	MKELEZBYOIOFIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071197
CC1CCc2c1c(N)nn2Cc1c(F)cccc1C(F)(F)F	MCULE-4978382902,EMOLS-id_330962932	313.293	QVVIOPFXUTXZRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071198
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(N)c12	EMOLS-id_331010722,MCULE-9273953474	313.293	IDZYNFVJBSKJJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071199
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(N)c12	MCULE-2247052237,EMOLS-id_331014049	313.293	FYQGOJQLJAONQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071200
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(N)c12	MCULE-5883257316,EMOLS-id_331013792	313.293	RQJGZDPNYWPEMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071201
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(N)c12	EMOLS-id_331014048,MCULE-3368062203	313.293	COKHJAIQPYVEPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071202
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(N)c12	EMOLS-id_331010210,MCULE-2498515873	313.293	DOWIFGHDYAVRFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071203
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(N)c12	EMOLS-id_331012257,MCULE-9622685088	313.293	YVFDRGMZISAHJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071204
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(N)c12	EMOLS-id_331010466,MCULE-6757941436	313.293	YDXHAVOTVXMJHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071205
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(N)c12	EMOLS-id_331012513,MCULE-7023611124	313.293	ZPAOMACNJQYSKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071206
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(N)c12	MCULE-5306373963,EMOLS-id_331012001	313.293	JDHCRZOKGQHZNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071207
c1(NC(=O)c2ccc(c(F)c2F)F)n(C)nc2CSCc12	EMOLS-id_334568625,MCULE-2479728236	313.298	BUTGDZCJQBLDQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071208
s1c2CCCc2nc1NC(=O)c1ccc(nc1)C(F)(F)F	PC-id_33041083	313.298	TUVMPTRSSYKVLV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071209
O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCc1c2n(CCC2=O)cc1)CO	UNPD50697,PC-id_24824174	313.303	DPMJANKSTKAYOQ-RGCYKPLRSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071210
O=C1c2c(ccn2CC1)COC1OC(CO)C(O)C(O)C1O	CNP0197005,PC-id_74326051	313.303	DPMJANKSTKAYOQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071211
COC(=O)c1cc2c(n1C(=O)O)CC(C2=O)Cc1ccccc1	SCHEMBL1007352,PC-id_66874760	313.305	YQKOPRNDDATMNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071212
O=C(O)COC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_247426951	313.305	SSXNNQOVFJZUAT-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071213
O=C(O)COC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_247426954	313.305	SSXNNQOVFJZUAT-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071214
n12ncnc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O	MCULE-8976838566	313.306	UIYYUQRAEISPPN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-071215
CC1Cn2c(c(nc2O1)C#CC(C)(c1ccccc1)O)[N+](=O)[O-]	PC-id_134851713	313.308	PNUXMGOTZPDKAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071216
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(=O)C)C	STOCK6S-48077,EMOLS-id_17101951,MCULE-9247811965,PC-id_135635960	313.311	IIDMMSHQAPTMAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071217
c1(C(=O)NN=C(C)c2cccc(c2)N(=O)=O)c2CCCc2[nH]n1	MCULE-7777663554,PC-id_744878	313.311	HAMZYBZHBAZDFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071218
C/C(=N/NC(=O)c1[nH]nc2c1CCC2)/c1cccc(c1)[N+](=O)[O-]	CoCoCo_1723625,PC-id_5400035,CoCoCo_1723627	313.311	HAMZYBZHBAZDFA-SXGWCWSVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071219
C/C(=NNC(=O)c1n[nH]c2c1CCC2)/c1cccc(c1)[N+](=O)[O-]	CoCoCo_1723626,PC-id_9615780,SPECS-id_AT-225/NB40873,STOCK3S-78878,CoCoCo_1723624,EMOLS-id_26317589	313.311	HAMZYBZHBAZDFA-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071220
C/C(=NNC(=O)c1n[nH]c2c1CCC2)/c1ccc(cc1)[N+](=O)[O-]	SPECS-id_AT-225/NB40811,PC-id_9643647	313.311	UCVWBNXAVIKPEK-CXUHLZMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071221
CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135925036,ZINC22_13691808	313.311	IIDMMSHQAPTMAC-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071222
CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc1	ZINC22_13691809,PC-id_135925037	313.311	IIDMMSHQAPTMAC-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071223
CC(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	PC-id_68440072,SCHEMBL2916826	313.311	URVNYVNYYROFRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071224
C(=O)(c1c2CCCc2[nH]n1)NN=C(C)c1ccc(N(=O)=O)cc1	MCULE-7568935429,PC-id_4035573	313.311	UCVWBNXAVIKPEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071225
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1C(=O)C	SCHEMBL2914413,PC-id_68439204	313.311	WOPCMJYXEFIQGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071226
O=C(c1ccc(cc1)C(=O)C)Nc1[nH]nc2c1CN(C2)C(=O)N	PC-id_68440618,SCHEMBL2918475	313.311	ZEEHXVBGHDKGHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071227
O=C(NNC(=C)c1cc([N+](=O)[O-])ccc1)c1n[nH]c2CCCc12	PC-id_3430458	313.311	ULLDVZQOVRFREO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071228
s1c2CCCc2c(c1NC(=O)c1nccnc1C(=O)[O-])C#N	PC-id_39310483	313.311	LFXWKIRHNQPVBD-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-071229
O=C(NCc1nc(c2ccco2)n[nH]1)N[C@@H]1CCn2ccnc12	ZINC22_1875336985	313.315	MPPQWAYPJALNKN-SECBINFHSA-N	00000010101000000001100010000000000000000000000000000000	25-01-071230
O=C(NCc1nc(c2ccco2)n[nH]1)N[C@H]1CCn2ccnc12	ZINC22_1875336986	313.315	MPPQWAYPJALNKN-VIFPVBQESA-N	00000010101000000001100010000000000000000000000000000000	25-01-071231
c1(C(F)(F)F)c2CCCc2n(CC(=O)N(CC=C)CC=C)n1	MCULE-2413860022,ZINC22_20607487,EMOLS-id_8867727,TIMTEC566359,PC-id_19591107	313.318	YDORKTJPCIBENO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071232
Cc1nn(c2nn[nH]n2)c(C)c1NC(=O)c1n[nH]c2c1CCC2	ZINC22_1875248142,MCULE-5095324318,EMOLS-id_331150357	313.318	ZCTZIQWSKPBRJC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071233
Cc1cc(nn1CCNC1CC(n2c1ncc2)C)C(F)(F)F	MCULE-7774558024,EMOLS-id_318724403	313.321	AFEOINHUKCLCGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071234
Cc1cc(c(cc1F)F)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318118334	313.323	DKPBEJANCSHTTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071235
Cn1nc2c(c1NS(=O)(=O)c1cccc(c1F)F)CCC2	EMOLS-id_318687713	313.323	DTMXPWTYZARNEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071236
CN(c1cc(F)ccc1F)S(=O)(=O)c1cnc2n1CCC2	ZINC22_548524685,EMOLS-id_324056606,MCULE-3328847323,PC-id_146090553	313.323	ROBJISCWADFWOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071237
Fc1cc(c(cc1C)F)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318367867	313.323	JOYSGHMWNYYRKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071238
Fc1cccc(c1CS(=O)(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_316637257	313.323	AKULIXRUUZREHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071239
Fc1ccc(cc1F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318945393	313.323	WAWRSNUVPDVGLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071240
Fc1cccc(c1S(=O)(=O)Nc1n(C)nc2c1CCC2)F	EMOLS-id_318484546	313.323	FMDMHEQDCURUMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071241
FC(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_318034912	313.323	UMEJLXFDIWFDCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071242
O=S(=O)(NCc1n[nH]c2c1CCC2)c1c(F)cccc1F	ZINC22_1875297994,EMOLS-id_318777261	313.323	LHHJNOAALOCRNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071243
c12CN(Cc1nn(CCF)c2C(=O)OC(C)(C)C)C(=O)OC	MCULE-2615783140,EMOLS-id_324348003	313.325	LIFUJIWKIISXBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071244
c12CN(Cc1nn(CCF)c2C#C)C(=O)OCc1ccccc1	MCULE-5484645218,EMOLS-id_324358499	313.326	IOOWXMBPCBOKAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071245
CCOC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCO2	PC-id_70121893,SCHEMBL7537079	313.326	KIEDWNMHOZCZHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071246
FC(CNc1scc(n1)CC(=O)N1CCn2c1ccn2)F	EMOLS-id_320271175,MCULE-8065396025	313.326	IKKOEZJGLHNCGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071247
FC(CNc1scc(n1)CC(=O)N1CCn2c1ncc2)F	EMOLS-id_319024467	313.326	CUMUDFABXJACAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071248
s1c2c(CCC2)c(c1NC(=O)COCC(=O)O)C(=O)OC	PC-id_60708219	313.326	ZJNIOZSOBYJHAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071249
CCOC(=O)N1Cc2c(C1)c(c(s2)C(=O)OC)NC(=O)N	SCHEMBL623258,PC-id_66747824	313.33	QFWWXTZZGVXZID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071250
Fc1ccc(c(c1)c1ccnn1C)OCc1nnc2n1CCC2	MCULE-9533366310,EMOLS-id_319989344	313.33	ZMPLUHCWHQIRRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071251
Fc1ccc(c(c1)OCc1nnc2n1CCC2)c1ccnn1C	EMOLS-id_319899692,MCULE-2403715822	313.33	LAZLWIDMBNKWDT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071252
s1c2CCCc2nc1NC(=O)NC(CCC(=O)O)C(=O)O	PC-id_61510301	313.33	NOIAEUBXHWBTHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071253
s1c2CCCc2nc1NC(=O)NC(CC(=O)OC)C(=O)O	PC-id_76989345	313.33	WLEJMLKLSDBPBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071254
s1c2CCCc2nc1NC(=O)N[C@@H](CCC(=O)O)C(=O)O	PC-id_61509922	313.33	NOIAEUBXHWBTHI-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071255
s1c2CCCc2nc1NC(=O)N[C@@H](CC(=O)OC)C(=O)O	PC-id_63305120	313.33	WLEJMLKLSDBPBS-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071256
c1(C#N)c2CCCc2sc1N=Cc1ccc(c(c1)N(=O)=O)O	MCULE-7766482827	313.331	ORKDLUVVNUEUNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071257
c1(C#N)c2CCCc2sc1N=Cc1c(O)ccc(c1)N(=O)=O	MCULE-7868011922	313.331	LDQCMCABLJFCTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071258
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	CoCoCo_3268185,MCULE-8714407858,ZINC22_1514810,EMOLS-id_3044529,PC-id_1548486	313.331	HOCBVAHCWXWPAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071259
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	ZINC22_514022,MCULE-5686292257,EMOLS-id_6162170,PC-id_924820,CoCoCo_4966725	313.331	CGFYVZRWBJMHQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071260
n1c(cccc1C(=O)O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1800450465,EMOLS-id_328036411	313.331	IEMDEXUPSNCCHU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071261
N#Cc1c(/N=Cc2cc(ccc2O)[N+](=O)[O-])sc2c1CCC2	CoCoCo_40136	313.331	LDQCMCABLJFCTR-IUXPMGMMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071262
N#Cc1c(/N=C/c2cc(ccc2O)[N+](=O)[O-])sc2c1CCC2	EMOLS-id_25781617,PC-id_135536596,CoCoCo_40135,ZINC22_344773,BAS-00323745	313.331	LDQCMCABLJFCTR-CAOOACKPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071263
N#Cc1c(/N=C/c2ccc(O)c([N+](=O)[O-])c2)sc2c1CCC2	TIMTEC363668,ZINC22_35183049,PC-id_135679370	313.331	ORKDLUVVNUEUNL-CAOOACKPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071264
[O-][N+](=O)c1ccccc1C(=O)Nc1sc2CCCc2c1C#N	MCULE-5002759732,PC-id_924845,EMOLS-id_322615392	313.331	QPTIEOBVWCKSEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071265
s1c2CCCc2c(c1N/C=C
/C=C([N+](=O)[O-])C=CC1=O)C#N	PC-id_5409781	313.331	LERRGLMTBTWHCC-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-071266
s1c2CCCc2c(c1N/C=C/1C=C([N+](=O)[O-])C=CC1=O)C#N	PC-id_5873224	313.331	LERRGLMTBTWHCC-CMDGGOBGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-071267
s1c2CCCc2c(c1NC=C1C=C([N+](=O)[O-])C=CC1=O)C#N	PC-id_6743946	313.331	LERRGLMTBTWHCC-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-071268
s1c2CCCc2c(c1N/C=C
/C=C([N+](=O)[O-])C(=O)C=C1)C#N	PC-id_6262807	313.331	ZYJPXZSBBVTIIA-CMDGGOBGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-071269
s1c2CCCc2c(c1NC=C1C=C([N+](=O)[O-])C(=O)C=C1)C#N	PC-id_6844305	313.331	ZYJPXZSBBVTIIA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-071270
S1Cc2c(noc2NC(=O)c2noc(c2)c2ccccc2)C1	PC-id_49720109	313.331	CIDUPUCQBVSFIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071271
C1Cc2c(C1)sc(n2)N=Nc1c([nH]oc1=O)c1ccccn1	PC-id_135997252	313.334	HXRPUSGNEUTBQZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-071272
Oc1onc(c1N=Nc1sc2c(n1)CCC2)c1ccccn1	SCHEMBL12795015	313.334	YJSNHFYEULWFSL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-071273
s1c2CCCc2nc1NN=C1C(=NOC1=O)c1ncccc1	PC-id_59365808	313.334	XQAWZUFYAHGMOF-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-071274
S1Cc2c(noc2NC(=O)c2nn(nc2)c2ccccc2)C1	PC-id_45505342	313.334	XODHABWGMNBLGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071275
NC(c1ccccc1OC(F)(F)F)c1sc2c(c1)CCC2	PC-id_115850793	313.338	YUMLLTRSXIXHQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071276
NC(c1sc2c(c1)CCC2)c1cccc(c1)OC(F)(F)F	PC-id_115854012	313.338	ZYPZDBBPSBBHIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071277
FC(c1cccc(n1)CNCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318549584,MCULE-5078204514	313.341	IWMPDIWHICIVAQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071278
FC(c1cccnc1CNCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318465349,MCULE-7860239270	313.341	XKOSCUMIEDRHOV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071279
FC(c1ccncc1CNCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318231009,MCULE-5469122927	313.341	GXILFMCJUFDXKR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071280
FC(c1cncc(c1)CNCc1sc2c(n1)CCC2)(F)F	MCULE-2911092872,EMOLS-id_318599801	313.341	QANWMHCBFSYXQC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071281
FC(c1nccc(c1)CNCc1sc2c(n1)CCC2)(F)F	MCULE-1673762434,EMOLS-id_318332730	313.341	HZMCTAFRZOIMRE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071282
NNC(c1cnccc1C(F)(F)F)c1sc2c(c1)CCC2	PC-id_102710509	313.341	LWEZVBULBKJLTD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071283
COC1(CCC(CC1)(F)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318773963	313.343	UCIAOSINJKSJDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071284
O=C(N1Cc2c(C1)cn(n2)CC1CC(C1)(F)F)OC(C)(C)C	PC-id_118469456,SCHEMBL17202601	313.343	JDKIOXMYSHAKFA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-071285
O=C(NCC(F)(F)C1(O)CCCCC1)c1cnc2n1CCC2	MCULE-5135283539,EMOLS-id_316943321,ZINC22_1615058643,PC-id_136568062	313.343	SSOPMQGHWIWDLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071286
O=C(NCC(F)(F)C1(O)CCCCC1)c1n[nH]c2c1CCC2	MCULE-3680592059,EMOLS-id_316942041,ZINC22_891351654	313.343	HTPYVVADACUKIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071287
FC(CN1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_101414185	313.346	HNRIRYNZUUYBSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071288
CC(C)Oc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	PC-id_13487045,CHEMBL9481,SCHEMBL11606365	313.348	SSOSUTKXTSZZHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071289
CCOc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_20351672,SCHEMBL11604198	313.348	OUWMTWVLKQZLPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071290
CC(=O)OC1CCc2c1[nH]c(c2C)C(=O)OCc1ccccc1	PC-id_10358209,SCHEMBL1417480	313.348	NWWAQYYTOFBIRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071291
COCCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	CHEMBL166118,PC-id_13780977	313.348	GKFMYPPKOCUVDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071292
COC(=O)c1[nH]c2c(c1)/C(=Cc1ccc(c(c1)OC)OC)/CC2	PC-id_67269379,SCHEMBL2075600	313.348	DCUYRIYAFZFFNI-WQLSENKSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071293
COC(=O)c1[nH]c2c(c1)/C(=C/c1ccc(c(c1)OC)OC)/CC2	SCHEMBL2075602	313.348	DCUYRIYAFZFFNI-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071294
O=C(c1coc2c1COC2)N1CCCC[C@H]1c1cccc(O)c1	ZINC22_1875297206	313.348	GZTUZMRUHAFAOP-INIZCTEOSA-N	00000010100010110000100010000000000000000000000000000000	25-01-071295
O=C(c1coc2c1COC2)N1CCCC[C@@H]1c1cccc(O)c1	ZINC22_1875297207	313.348	GZTUZMRUHAFAOP-MRXNPFEDSA-N	00000010100010110000100010000000000000000000000000000000	25-01-071296
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(OCCC)cc1	PC-id_85749661	313.348	RMFSVMNHFSSJPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071297
O(C(=O)c1n(cc2c1CCC2)C(=O)OCc1ccccc1)CC	PC-id_76286090	313.348	FYHCTFFAZVAELV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071298
O(C(=O)c1[nH]c2CCC(=Cc3cc(OC)c(OC)cc3)c2c1)C	PC-id_67269380	313.348	DCUYRIYAFZFFNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071299
NS(=O)(=O)c1c(COc2ccccc2)sc2c1OCO2	PC-id_70151720,SCHEMBL7643193	313.349	CJVLSVOAFLOANE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071300
s1c2c(CCC2)c(c1NC(=O)N(CCO)CCO)C(=O)[O-]	PC-id_8029809	313.349	FSQZACNGWUQRIK-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-071301
c12CN(Cc1nn(CC1CC1)c2O)C(=O)OCc1ccccc1	MCULE-4423959386,EMOLS-id_324341354	313.351	WFDHLDFEHOKCJV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071302
c12CN(Cc1nn(CCC)c2C=O)C(=O)OCc1ccccc1	MCULE-1496059947,EMOLS-id_324345961	313.351	LIQGJJFLCRIDMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071303
c1(C(=O)Nc2ccc(cc2)CC(=O)OC)c2CCCc2n(C)n1	PC-id_84466420,EMOLS-id_320481039,MCULE-2033186064	313.351	JOCXOLKHXKXVHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071304
c1(C(=O)Nc2ccc(cc2)CC(=O)OCC)c2CCCc2[nH]n1	MCULE-1467421238,EMOLS-id_335063234	313.351	DBKBVQPWZKDNCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071305
c1(C(=O)Nc2ccccc2C(=O)OCC)c2CCCc2n(C)n1	EMOLS-id_179745502,MCULE-3457163052,PC-id_110389146	313.351	JSXHMFMPQMKLIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071306
c1(C(=O)Nc2cccc(c2)C(=O)OCC)c2CCCc2n(C)n1	MCULE-2470472144,PC-id_84466425,EMOLS-id_320482319	313.351	JYOUESJWSILTLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071307
c1(C(=O)Nc2ccc(cc2)C(=O)OCC)c2CCCc2n(C)n1	PC-id_110389133,MCULE-5951398902,EMOLS-id_179745463	313.351	NLGUWEYKNYQKNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071308
c1(C(=O)Nc2ccc(cc2)C(=O)OC(C)C)c2CCCc2[nH]n1	EMOLS-id_335073990,MCULE-5837514969	313.351	ICDIRFKYVRPHFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071309
c1(C(=O)Nc2cccc(c2)C(=O)OC(C)C)c2CCCc2[nH]n1	MCULE-2039705871,EMOLS-id_335022558	313.351	ODICPSLNGZKBGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071310
c1(C(=O)Nc2ccc(cc2)C(=O)OCCC)c2CCCc2[nH]n1	MCULE-4534483587,EMOLS-id_323258546	313.351	NLTLJDOHDFGABK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071311
c1(C(=O)Nc2cccc(c2)C(=O)OCCC)c2CCCc2[nH]n1	MCULE-7227975972,EMOLS-id_335037396	313.351	NKVXEQAOXRTPRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071312
c1(C(=O)NCc2ccc(cc2)C(=O)OC)c2CCCc2n(C)n1	PC-id_84466074,EMOLS-id_320479246,MCULE-2395843844	313.351	KVWAUSHOASSROH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071313
c1(C(=O)NCc2ccc(cc2)C(=O)OCC)c2CCCc2[nH]n1	EMOLS-id_335047112,MCULE-4101689594	313.351	FBEKQPYTFARRTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071314
c1(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c2CCCc2[nH]n1	MCULE-9137373567,EMOLS-id_323256503	313.351	ULCMUNODBGFARS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071315
CCCOc1cc(ccc1OC)C=C1C(C)n2c(C1=O)ncn2	EMOLS-id_278712881	313.351	HSZMBACMPCERCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071316
CCOc1ccc(cc1)C(=O)CCC(=O)N1CCn2c1ncc2	EMOLS-id_279043970	313.351	CCYDQYTUMMBWSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071317
CCOc1cc(ccc1OCC)C=C1C(C)n2c(C1=O)ncn2	EMOLS-id_278712901	313.351	BOMMPEJBJYSOFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071318
COc1ccc(C2CC2)cc1CNC(=O)c1cc2n(n1)CCO2	ZINC22_881555952,EMOLS-id_316949099,MCULE-8341422726	313.351	HWPQNJNMLIGYRU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-071319
COc1ccccc1C1CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_316048858,MCULE-9813878526	313.351	WCLKHRWPLMBDBL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071320
COc1ccccc1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_377927535	313.351	WCLKHRWPLMBDBL-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071321
COc1ccccc1[C@H]1CCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_377927539	313.351	WCLKHRWPLMBDBL-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071322
COc1cccc(NC(=O)CNC(=O)c2cc3c([nH]2)CCC3)c1	ZINC22_1875299086,PC-id_146102236,MCULE-8300599691,EMOLS-id_324057689	313.351	YJEFYJIEADGMJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071323
COC1(COC1)c1ccc(cc1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319905959,MCULE-6140956624	313.351	BNZZONJWMCEAQY-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071324
COC1(COC1)c1ccc(cc1)C(=O)NC1CCn2c1ncc2	EMOLS-id_319662421	313.351	ZXCCUJCXOLOIDH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071325
COC(=O)c1cccc(CCNC(=O)c2n[nH]c3c2CCC3)c1	PC-id_75396895,EMOLS-id_48307078,MCULE-2978923731,ZINC22_95454101	313.351	FXRJKWIUCQDSNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071326
N#Cc1nc2n(c1C)CC(O2)COc1ccc(cc1)C(O)(C)C	PC-id_140261697	313.351	XGNYHSMMGZECCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071327
O=C(c1ccc(cc1)C1OCCO1)NC1CC(n2c1ncc2)C	EMOLS-id_318470510	313.351	URXLCKIKECAIEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071328
O=C(c1ccc(cc1)C1(O)COC1)NCc1nn2c(c1)CCC2	MCULE-1592123462,EMOLS-id_320121975	313.351	ANMKWZXSSXKHHH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071329
O=C(c1ccc(cc1)C1(O)COC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319205449	313.351	KQBWKZNZHLVTJH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071330
O=C(NC1(c2ncccn2)CCOCC1)c1occ2c1CCC2	PC-id_136566746,ZINC22_886943232,EMOLS-id_316940992,MCULE-3346495669	313.351	SVWLGITTWVWFBQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071331
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(O[C@H]2CCOC2)cc1	ZINC22_2325766700	313.351	VSJFXHQXZRNVEI-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071332
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(O[C@@H]2CCOC2)cc1	ZINC22_2325766701	313.351	VSJFXHQXZRNVEI-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071333
OC(=O)Cc1ccccc1CNC(=O)c1n(C)nc2c1CCC2	EMOLS-id_318894934	313.351	GBBPHOXPJFQYMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071334
OC(=O)CCC(c1ccccc1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318322545	313.351	UNLZLMDACMRYFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071335
OC(=O)CCC(c1ccccc1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318372226	313.351	RRRJJXGVMPHWJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071336
OC(=O)C(N(C(=O)c1cnn2c1CCC2)C)Cc1ccccc1	EMOLS-id_318107228	313.351	HFODRXIYWCKCNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071337
s1c2CCCc2cc1C(=O)NN=Cc1ccc(cc1)C(=O)[O-]	PC-id_85015510	313.351	ZZIYXMMRUWCDPD-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-071338
Cc1ccc(s1)S(=O)(=O)n1nc2c(c1)CN(C2)C(=O)O	PC-id_141764683	313.353	JGSRRNNUEHMTOW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071339
Fc1ccc(c2[nH]ncc2C[NH2+]Cc2n3CCCc3nn2)cc1	PC-id_52389133	313.353	XRZDONFCNYWZEW-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-071340
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)c1[nH]ncc1	PC-id_102690672	313.353	YSRBKCCSPNKEBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071341
OC(=O)N1Cc2c(C1)cn(n2)S(=O)(=O)c1sccc1C	PC-id_141764708	313.353	UJBPPRRGEIBXCO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071342
O=S1(=O)CCc2c1c[nH]c2S(=O)(=O)Nc1ccccn1	ZINC22_1875387016	313.353	JSYDLGIEQFASRP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071343
s1c2c(CCC2)c(c1NS(=O)(=O)c1c[nH]nc1)C(=O)O	PC-id_60916758	313.353	NCTHDXUTXJUTAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071344
s1c2c(CCC2)c(c1NS(=O)(=O)c1[nH]cnc1)C(=O)O	PC-id_64155851	313.353	HETDXBFSUBONLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071345
s1c2CCCc2nc1NS(=O)(=O)c1cc([nH]c1)C(=O)O	PC-id_61508649	313.353	WVTFQAWPKHANEE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-071346
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1C)C)CC	EMOLS-id_27448536,MCULE-6590720217,PC-id_135649943,STOCK6S-78716	313.354	AEERITWADMNTSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071347
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(C)C)C	MCULE-6491088403,PC-id_135635977,STOCK6S-50947,EMOLS-id_17106174	313.354	PUFWSSSKNOCESS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071348
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(C)c1)C)CC	MCULE-6882303959,STOCK6S-85445,EMOLS-id_27459236,SPECS-id_AN-153/NB21586,PC-id_135649930	313.354	QIGBOKVSLMKUMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071349
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(C)ccc1C)CC	PC-id_135649936,STOCK6S-78625,EMOLS-id_27448384,MCULE-3967394403	313.354	CATBWFCOJNIPAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071350
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(C)cc(C)c1)CC	MCULE-2224663919,EMOLS-id_27446188,STOCK6S-77235,PC-id_135649934	313.354	PKMPCURJWJSMPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071351
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](Cc2cnccn2)C1)O	EMOLS-id_317358912,PC-id_135114910,MCULE-9550935894,ZINC22_1704299194	313.354	OGUQUNDRLVKLOC-QMTHXVAHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-071352
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1nccc(C)n1	PC-id_110118938,BDE-33348918,EMOLS-id_171630924,MCULE-7724719868	313.354	XUTIIXKJRWANIF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071353
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(c2ccnc(C)n2)C1	EMOLS-id_43267755,MCULE-6653946506,PC-id_110118977,BDE-33348992	313.354	JXBJNMYNQDGCAN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071354
c1(C(=O)N2CCC(CC2)c2nc[nH]c(=O)c2)c2CCCc2n[nH]1	PC-id_135891029,EMOLS-id_232748429,ZINC22_23368295,CoCoCo_1401711,MCULE-9243436671,CoCoCo_1401712,CoCoCo_1401713,CoCoCo_1401714	313.354	PTMKGGNVDLCQMP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071355
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccccn2)n1	MCULE-6197153449	313.354	GGVOKPASFDPCQH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071356
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2cccnc2)n1	MCULE-1939098074	313.354	UYTUPJGOTXPTID-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071357
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccncc2)n1	MCULE-4836667104	313.354	PNMGUMGTXLAVHQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071358
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccccn2)n1	MCULE-3553619768,EMOLS-id_316326207	313.354	GGVOKPASFDPCQH-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-071359
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2cccnc2)n1	MCULE-1272920370,EMOLS-id_316328760	313.354	UYTUPJGOTXPTID-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071360
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccncc2)n1	EMOLS-id_316328761,MCULE-4033799324	313.354	PNMGUMGTXLAVHQ-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071361
Cc1c2n(CCO2)nc1C(=O)N1CCN(CC1)c1ccccn1	PC-id_91959903	313.354	AIUVPJIXUOZRFE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071362
CC1C(=Cc2cnc(cc2)N(C)CCOC)C(=O)c2ncnn12	PC-id_136555937,MCULE-3965840166,EMOLS-id_316943670	313.354	GTKSXFGYCOCEOF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071363
CC1CC(c2n1ncn2)NCc1ccc(cc1)N1CCOC1=O	MCULE-9212103159,EMOLS-id_279085759	313.354	RNEWOTKQCCVDHL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071364
Cc1ccc(cc1NC1CC(n2c1ncn2)C)N1CCOC1=O	EMOLS-id_318663224,MCULE-5649594358	313.354	XAUJIFOZJXFYQM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071365
Cc1ccc(cc1)NC(=O)C1CCc2nnc(n12)CNC(=O)C	PC-id_134796233	313.354	DYQTZNLQDBHACS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071366
Cc1ccc(cc1NC(=O)C1NCc2c1c[nH]n2)C(=O)NCC	MCULE-6548352515,EMOLS-id_319886093	313.354	YYLUMNCWNFIMMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071367
Cc1ccnc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257331898	313.354	XUTIIXKJRWANIF-CYBMUJFWSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071368
Cc1ccnc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257331899	313.354	XUTIIXKJRWANIF-ZDUSSCGKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071369
Cc1c(NC2CC(n3c2ncn3)C)cccc1N1CCOC1=O	EMOLS-id_318616606,MCULE-4887056204	313.354	SFWWUSXYDMLTEQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071370
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)N2	ZINC22_13721400,PC-id_135897667	313.354	PUFWSSSKNOCESS-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071371
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)N2	ZINC22_13721403,PC-id_135897668	313.354	PUFWSSSKNOCESS-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071372
Cc1nccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257252979	313.354	JXBJNMYNQDGCAN-AWEZNQCLSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071373
Cc1nccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257252980	313.354	JXBJNMYNQDGCAN-CQSZACIVSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071374
CC1OCCN(C1)c1nccc(c1)C(=O)N1CCn2c1ccn2	MCULE-1111836773,EMOLS-id_177205475	313.354	NFBXYUQZGNQAPR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071375
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)cc1C)C(=O)N2	PC-id_135878601,ZINC22_31813966	313.354	AEERITWADMNTSX-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071376
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)cc1C)C(=O)N2	PC-id_135878602,ZINC22_31813971	313.354	AEERITWADMNTSX-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071377
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(C)ccc1C)C(=O)N2	ZINC22_31813919,PC-id_135878599	313.354	CATBWFCOJNIPAD-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071378
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(C)ccc1C)C(=O)N2	ZINC22_31813924,PC-id_135878600	313.354	CATBWFCOJNIPAD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071379
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(C)cc(C)c1)C(=O)N2	PC-id_135878575,ZINC22_31813279	313.354	PKMPCURJWJSMPA-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071380
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(C)cc(C)c1)C(=O)N2	PC-id_135878576,ZINC22_31813283	313.354	PKMPCURJWJSMPA-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071381
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)N2	ZINC22_31816914,PC-id_135878684	313.354	QIGBOKVSLMKUMP-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071382
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)N2	ZINC22_31816920,PC-id_135878685	313.354	QIGBOKVSLMKUMP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071383
C=CCOc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319239977	313.354	FPLFJXYAHNUQJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071384
CCC(=O)c1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319438837	313.354	BVLOXCIYECDLKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071385
CCC(=O)c1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319694865	313.354	JKEMHNASCQUYRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071386
CCC(=O)N(c1ccc(cc1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318719642	313.354	IIXBNAHJNFWDNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071387
CC(C(=O)Nc1n[nH]c2c1CN(C2)C(=O)Nc1ccccc1)C	PC-id_68439136,SCHEMBL2914277	313.354	YHYUNWWIVXVMAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071388
C[C@@H]1CN(c2cc(C(=O)N3CCn4nccc34)ccn2)CCO1	ZINC22_585081564	313.354	NFBXYUQZGNQAPR-GFCCVEGCSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071389
C[C@H]1CN(c2cc(C(=O)N3CCn4nccc34)ccn2)CCO1	ZINC22_585081565	313.354	NFBXYUQZGNQAPR-LBPRGKRZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071390
CCNC(=O)c1ccc(cc1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319190389	313.354	WRDWPORNSVKTDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071391
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccc(c1)C	PC-id_68439143,SCHEMBL2914299	313.354	HFCKRZKDYSAOHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071392
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C	PC-id_68441848,SCHEMBL2922116	313.354	GMDPUXCMOFPQOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071393
CC(NC(=O)Nc1cccc(c1)C(=O)N1CCn2c1ncc2)C	EMOLS-id_279043936	313.354	KZWVVEYCSBIWGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071394
CC(=O)c1ccc(NC(=O)N(C)Cc2nnc3n2CCC3)cc1	ZINC22_73889433,EMOLS-id_48212557,PC-id_75402940,MCULE-2873391202	313.354	LFIQPXAVCSHTSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071395
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccccc1	PC-id_134797920	313.354	PICGWESFQQYAMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071396
Cn1cccc1C(=O)N1Cc2c(C1)n(C)nc2C(=O)NC1CC1	EMOLS-id_207862908,MCULE-5709622036	313.354	UGGHLURPCFBNHX-UHFFFAOYSA-N	00100010110000000001000010000000000000000000000000000000	25-01-071397
Cn1ncc(c1)N1CC(CC1=O)NC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_318771056	313.354	RVEHXPSWUUMTSV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071398
CN(c1ccc(cc1)CNC(=O)C1NCc2c1c[nH]n2)C(=O)C	MCULE-4945530431,EMOLS-id_320144488	313.354	UEBUMPAWIGTLRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071399
CN(C)C(=O)C1CCc2nnc(n12)CNC(=O)c1ccccc1	PC-id_134789968	313.354	DDHYOSZVFLGPAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071400
CN(/C=N/c1n[nH]c2c1CN(C2)C(=O)OCc1ccccc1)C	SCHEMBL12747669,PC-id_58201335	313.354	IMNVNRVNVJNWAQ-GZTJUZNOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071401
CNC(=O)c1cccc(c1)CCNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320137585,MCULE-8664402497	313.354	DUOLTTSGAIQTNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071402
CNC(=O)Nc1cc2n(n1)CCN2C(=O)CCc1ccccc1	PC-id_58441217,SCHEMBL12307452	313.354	BORWAKPPBMKKRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071403
CNC(=O)Nc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-7183347126,EMOLS-id_320338210	313.354	OAGSOSGLHNXZHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071404
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)Cc1ccc(cc1)C	PC-id_68248492,SCHEMBL12334300	313.354	FYAFYJWJANHPSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071405
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)Cc1ccccc1C	SCHEMBL12334707,PC-id_68248702	313.354	RTYSOXZRSJOJQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071406
COCCN(C)c1ccc(/C=C/2C(=O)c3ncnn3[C@@H]2C)cn1	ZINC22_864086503	313.354	GTKSXFGYCOCEOF-JYVXZMADSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071407
COCCN(C)c1ccc(/C=C/2C(=O)c3ncnn3[C@H]2C)cn1	ZINC22_864086505	313.354	GTKSXFGYCOCEOF-LFTLCWSBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071408
NC(=O)Nc1ccc(cc1)C(NC(=O)c1cnn2c1CCC2)C	PC-id_121860300,EMOLS-id_72432620,MCULE-4273322347	313.354	MWNFVCQMWZXJRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071409
O=C1C=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=C1)N1CCCC1	PC-id_57577985,SCHEMBL3861615	313.354	QTFUBYQWFOANSD-LDADJPATSA-N	00000010100011000001100010000000000000000000000000000000	25-01-071410
O=c1cc(CNC(=O)c2nc3n(c2)CCC3)nc([nH]1)C1CCC1	EMOLS-id_316707334	313.354	IMUMBIYHKXSHEU-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-071411
Oc1ccnc(n1)C1CCCN1C(=O)c1n(C)nc2c1CCC2	EMOLS-id_318874706	313.354	XCUHHQSXYFMUHK-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-071412
Oc1nccc(n1)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	BDE-33348820,MCULE-1298893609,PC-id_110118902	313.354	KSMPSZXAWSCREM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071413
O=C1OCCN1c1cccc(c1)CNC1CC(n2c1ncn2)C	EMOLS-id_318578587,MCULE-4236906522	313.354	OFWPTAWNBISOKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071414
O=C1OCCN1c1cc(ccc1C)NC1CC(n2c1ncn2)C	MCULE-7555255500,EMOLS-id_318564395	313.354	NAMBTKMIYPQDHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071415
O=C1OCCN1Cc1cccc(c1)NC1CC(n2c1ncn2)C	MCULE-5082585166,EMOLS-id_318426546	313.354	GEKPIMDYYSFYOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071416
O=C(c1cc2n(n1)CCO2)N1CCN(CC1)c1nccc(c1)C	EMOLS-id_99600159	313.354	RSQKFIPQCBJGEX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071417
O=C(c1cnc2n1CCC2)NCc1cc(=O)[nH]c(n1)C1CCC1	EMOLS-id_318238149	313.354	MSJUDBFZSCGFBX-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-071418
O=C(c1cnn2c1CCC2)NCc1cc(=O)[nH]c(n1)C1CCC1	EMOLS-id_316710411	313.354	DAURVCIUKLNYQM-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-071419
O=C(C1NCc2c1c[nH]n2)N1CCC(C1)OCc1ccncc1	EMOLS-id_318804321	313.354	QYYUXDUMVZOPLR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071420
O=C(C1NCc2c1c[nH]n2)Nc1ccc(c(c1)C(=O)N(C)C)C	EMOLS-id_319331406	313.354	ZGMHYIBWHNTMAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071421
O=C(c1nn2c(c1)OCC2)Nc1cccnc1N1CCCCC1	EMOLS-id_99756397	313.354	PZAPNDFQTMYDBV-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071422
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2ccnc(O)n2)C1	ZINC22_257258134	313.354	KSMPSZXAWSCREM-JTQLQIEISA-N	00000010100010100001100010000000000000000000000000000000	25-01-071423
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2ccnc(O)n2)C1	ZINC22_257258135	313.354	KSMPSZXAWSCREM-SNVBAGLBSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071424
O=C(c1n[nH]c2c1CCC2)Nc1ccc(cn1)N1CCOCC1	EMOLS-id_97921500	313.354	RLGCEYMULGICKG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071425
O=C(c1n[nH]c2c1CCC2)Nc1cccnc1N1CCOCC1	EMOLS-id_98558662	313.354	QMACLBXRKGWBGY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071426
O=C(c1n[nH]c2c1CN(Cc1ccncc1)C2)N1CCOCC1	PC-id_97461982,EMOLS-id_44325325,ZINC22_96187524	313.354	NYQZQIPZNUWKHW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-071427
O=C(CN(C(=O)c1cn2c(n1)CCC2)C)Nc1ccc(cn1)C	EMOLS-id_316908193	313.354	OGLNFJOHNVEKNO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071428
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)C)C(=O)C	EMOLS-id_319344588	313.354	RIDNKRQYLQQNGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071429
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)C(=O)C)C	EMOLS-id_319153181	313.354	YDXBKOJGTPMFHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071430
O=C(N1CCn2c1ncc2)Nc1ccc(nc1)OC1CCCC1	EMOLS-id_318760685	313.354	ALZLASNBYQUWFU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071431
O=C(NC1(c2ncccn2)CCOCC1)c1n[nH]c2c1CCC2	EMOLS-id_320369276,ZINC22_886937877,MCULE-1437541591	313.354	WQRVSPGCAIEASM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071432
O=C(Nc1ncccc1C)CCNC(=O)c1cnn2c1CCC2	EMOLS-id_278914483	313.354	GXLTTZKXUJOGNK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071433
O=C(Nc1ncccc1C)CCNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_258102441,MCULE-2253940196	313.354	GSYZZSYXVMUTEW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071434
CC(=O)Nc1ncc(s1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320056908,MCULE-9772397827	313.356	GNYLJTGLZHUQSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071435
O=C(c1cccs1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2922766,PC-id_68442133	313.356	CUVSYQCGOVJCEB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071436
O=C(c1cscc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2913089,PC-id_68438572	313.356	CQEVCCKWTCEIFK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071437
CN(C)c1ncc(/C=C/C(=O)NCc2nnc3CCCn23)cn1	EMOLS-id_232865363,ZINC22_828032389	313.358	RRUXORAKVKVAPZ-AATRIKPKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-071438
n12CCCc1nnc2CNC(=O)C=Cc1cnc(nc1)N(C)C	MCULE-4653835233	313.358	RRUXORAKVKVAPZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-071439
O=C(Nc1cnc(N2CCNCC2)nc1)[C@@H]1Cc2nccn2C1	ZINC22_1875304639	313.358	QCCXKKDYVQSNSN-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071440
O=C(Nc1cnc(N2CCNCC2)nc1)[C@H]1Cc2nccn2C1	ZINC22_1875304640	313.358	QCCXKKDYVQSNSN-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-071441
c12CN(Cc1sc(OC)c2C(=O)OC)C(=O)OC(C)(C)C	EMOLS-id_331065890,MCULE-5008921388	313.369	UNPPJTSCRDCDHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071442
c1(c2CCCc2[nH]n1)C(=O)N1CCCCC1c1ccc(cc1)F	PC-id_70755327,MCULE-5610789069,EMOLS-id_43585537	313.369	SXNPBCUGBWDKGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071443
COCCOCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_103606683	313.369	ZNXGCCWHZLBHNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071444
Fc1cccc(c1)C1(CCC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318013719	313.369	JAVOMUYDPNMMBP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071445
Fc1ccc(cc1)C1(CCC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318324548	313.369	QSLTXTGDFBYRJD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071446
Fc1ccc(cc1)C1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-1453653149,EMOLS-id_320006169	313.369	DEOCYQKVOMRDED-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071447
Fc1ccc(cc1)C1(CCCC1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318351726	313.369	PSGXXQHEXCVABU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071448
Fc1cccc(c1)C1CCC(C1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318467496	313.369	RCVGEVPCROCUFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071449
Fc1ccc(cc1)C1(CCCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318745465	313.369	NRMMMVJWZZEROZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071450
Fc1ccc(cc1)C1CCC(C1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318759267	313.369	CWXBBGXECXJXJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071451
Fc1ccc(cc1)C1CCC(C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318389150	313.369	PBTCCBQWVMBABF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071452
Fc1ccc(cc1)C1(CCCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318473932	313.369	JPSBBVFFYRQCLD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071453
Fc1cccc(c1)C1CCC(C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318758856	313.369	PYNYCTZFNDNXER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071454
Fc1cccc(c1)C1CCC(C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318504577	313.369	MFDRVSULPRNMGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071455
Fc1ccc(cc1)C1CCC(C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318534600	313.369	KPTKLDINIYXPNE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071456
Fc1ccc(cc1)C1(CCCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318606227	313.369	ZMHCGGWAUZAZPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071457
Fc1ccc(cc1)C1CCC(C1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316158742,MCULE-7280871428	313.369	JHFRUVRTHSWPRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071458
Fc1ccc(cc1)C1(CCCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98247502	313.369	NHUPMSQQZPFGQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071459
Fc1ccc(cc1)CC1(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318595598	313.369	VJMDCFDWQHIFBJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071460
Fc1ccc(cc1)CC1(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318815324	313.369	NMVZXGARKJRGSU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071461
Fc1ccc(cc1)CC1(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320074383,MCULE-6476712826	313.369	YGUZAQMLHGRUKK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071462
Fc1cccc(c1)CC1(CCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318126202	313.369	CNDHVIUWJYZVCI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-071463
Fc1cccc(c1)CC1(CCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100416911	313.369	DKYCCBIKDZBUNX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-071464
Fc1ccc(cc1)CC1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318463269	313.369	VCVGHNPEUAVOHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071465
Fc1ccc(cc1)N(C(=O)c1n(C)nc2c1CCC2)C1CCC1	EMOLS-id_319354321	313.369	ZUPSABBZEXFUSK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-071466
O=C(C1(CC1)Cc1ccccc1F)Nc1n(C)nc2c1CCC2	EMOLS-id_318813466	313.369	BCKCEHWPHSOPTI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071467
O=C(C1(CC1)Cc1ccccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319135084	313.369	LKVKRMBCRFQDOD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071468
O=C(C1(CCC1)c1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_318480301	313.369	XFRAWZDCDXGICA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071469
O=C(c1cnc2n1CCC2)NC1CCC(C1)c1ccccc1F	EMOLS-id_318672571	313.369	STNDVWQGKXCGHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071470
O=C(c1cnn2c1CCC2)NC1CCC(C1)c1ccccc1F	EMOLS-id_318694317	313.369	NXGGPZIEGGTFCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071471
O=C(c1nn2c(c1)CCC2)NC1CCC(C1)c1ccccc1F	EMOLS-id_318406612	313.369	GFSIOVZPYOFXJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071472
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@H]1c1ccc(F)cc1	ZINC22_77440725,PC-id_96399049	313.369	SXNPBCUGBWDKGR-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071473
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1c1ccc(F)cc1	ZINC22_77440729,PC-id_96399050	313.369	SXNPBCUGBWDKGR-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071474
O=C(c1n[nH]c2c1CCC2)NC(c1ccc(c(c1)C)F)C1CC1	EMOLS-id_98159316	313.369	JFFWQWGQXLXUPK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071475
O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1n[nH]c2c1CCC2	ZINC22_280525740	313.369	JHFRUVRTHSWPRR-GXTWGEPZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071476
O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1n[nH]c2c1CCC2	ZINC22_280525755	313.369	JHFRUVRTHSWPRR-JSGCOSHPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071477
O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1n[nH]c2c1CCC2	ZINC22_280525766	313.369	JHFRUVRTHSWPRR-OCCSQVGLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071478
O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1n[nH]c2c1CCC2	ZINC22_280525778	313.369	JHFRUVRTHSWPRR-TZMCWYRMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071479
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)O	MCULE-1852892778,PC-id_1934649	313.371	YBAABLZLODMXCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071480
O=C(/C=C/c1ccccc1)Nc1sc2c(c1C(=O)O)CCC2	CHEMBL1338797,EMOLS-id_26290721,STOCK3S-00804,ZINC22_4888903,PC-id_5424189,ChEMBL-DNDi_CHEMBL1338797	313.371	YBAABLZLODMXCY-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071481
s1c2CCCc2nc1NS(=O)(=O)c1cc(F)c(N)cc1	PC-id_82844789	313.371	SFHZWDCTIDJOLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071482
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)ccc1F	PC-id_61508324	313.371	HWDPUJMETJHASO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071483
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)cc(F)c1	PC-id_63322714	313.371	UZXHUZPCIDNKCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071484
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)c(F)cc1	PC-id_61507960	313.371	OOKOBQXSDGQNBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071485
s1c2CCCc2nc1NS(=O)(=O)c1c(F)cc(N)cc1	PC-id_61719897	313.371	IICRNMOHDFHNGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071486
s1c2CCCc2nc1NS(=O)(=O)c1c(N)cccc1F	PC-id_61890168	313.371	QROWAPJTZWSKSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071487
s1c2CCCc2nc1NS(=O)(=O)c1c(N)ccc(F)c1	PC-id_61508249	313.371	DOVFOOXNGZWIMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071488
s1c2CCCc2nc1NS(=O)(=O)c1c(N)cc(F)cc1	PC-id_61508440	313.371	KQOPPNTWKPBXPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071489
s1c2CCCc2nc1NS(=O)(=O)c1c(N)c(F)ccc1	PC-id_64179993	313.371	BRZUXDHGERMMGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071490
c1(NC(=O)NCCOCCO)sc2c(CCC2)c1C(=O)N	CoCoCo_1106202,MCULE-6340542345,PC-id_8031319,ZINC22_6662854,STOCK6S-07868,EMOLS-id_4736458	313.373	FZDBEHGOIYLMEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071491
CC1CCCN(C1C(=O)O)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102137867	313.373	BCBVJMCNABDWIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071492
CC1CC(C(O1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_110481268	313.373	IQSHQVDGUBIDNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071493
CC1OCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389744	313.373	OZGAJUFVAJBEGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071494
CCC1CCC(O1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466220	313.373	OMEUDTBCMZLYQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071495
CC(C)(C)c1c2CN(Cc2nn1S(=O)(=O)C1CC1)C(=O)O	PC-id_89723598,SCHEMBL15152918	313.373	KZOUXRCAROZOKJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071496
C=CCCCS(=O)(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_316324537,ZINC22_1615553436,MCULE-8568429232	313.373	WNCXZQPQCCUPGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071497
CC(C)[C@H](NCc1cc(C#N)ccc1F)c1nnc2n1CCC2	ZINC22_95941302	313.373	RBKIAMPEEUMYEF-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071498
CC(C)[C@@H](NCc1cc(C#N)ccc1F)c1nnc2n1CCC2	ZINC22_95941303	313.373	RBKIAMPEEUMYEF-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071499
CCCN(C(=O)c1nn2c(c1)OCC2)C1CCS(=O)(=O)C1	EMOLS-id_99531318	313.373	SNRHFUCWBHBEMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071500
C[C@H](CS(=O)(=O)C)N(C(=O)c1cc2n(n1)CCO2)C1CC1	ZINC22_329644430	313.373	ZDDHVKBFPRKWDK-SECBINFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071501
C[C@@H](CS(=O)(=O)C)N(C(=O)c1cc2n(n1)CCO2)C1CC1	ZINC22_329644433	313.373	ZDDHVKBFPRKWDK-VIFPVBQESA-N	00100010100000000001000010000000000000000000000000000000	25-01-071502
CC(N(C(=O)c1cc2n(n1)CCO2)C1CC1)CS(=O)(=O)C	MCULE-7630964768,EMOLS-id_99754087	313.373	ZDDHVKBFPRKWDK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071503
CCOC1CC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111567678	313.373	JSSIWWYIRBAIHA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-071504
CCOC(=O)C1CCc2c1nc(s2)NCCOCC(=O)N	PC-id_106241495	313.373	KHBPLOMGEFABBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071505
CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)CSC2	ZINC22_1591124,CHEMBL305982,PC-id_342834,CoCoCo_5635246,NSC380722	313.373	MUSHRJCTPWZZRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071506
COC1(CCCC1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375572	313.373	RGDAPZSXZPWPBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071507
COCCNC(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_104430332	313.373	WVUBXQWTYSFRKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071508
COCCNC(=O)C(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104403727	313.373	JFRXCOSLEWTGBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071509
COC(C(=O)NS(=O)(=O)c1cnc2n1CCC2)(C1CC1)C	EMOLS-id_112053260	313.373	YOTMMLNWLZMUHQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071510
COC(=O)C1(CS(=O)(=O)NCc2n[nH]c3c2CCC3)CC1	ZINC22_1775990678	313.373	AGWXQWGGZGNNOI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071511
Fc1c(CNC(c2n3CCCc3nn2)C(C)C)cc(cc1)C#N	MCULE-2821657019,PC-id_75457159,EMOLS-id_48836028	313.373	RBKIAMPEEUMYEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071512
O=C(c1cc2n(n1)CCC2)NS(=O)(=O)CC1CCCCO1	EMOLS-id_112077806	313.373	MZQOOLVGRNJDEO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071513
O=C(C1(C)CCCOC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375533	313.373	OZXNQJRSEJBYSR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071514
O=C(c1cn2c(n1)CCC2)NS(=O)(=O)CC1CCCOC1	EMOLS-id_112099349,MCULE-6537598431	313.373	CFTPJOUEZJMNBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071515
O=C(c1cnn2c1CCC2)NS(=O)(=O)CC1CCCCO1	EMOLS-id_112077788	313.373	RXGKABFHJTVYNH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071516
O=C(c1nn2c(c1)OCC2)N1CCCCC(C1)S(=O)(=O)C	EMOLS-id_99610547	313.373	JOKPHRHVVYIWPX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-071517
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)CC1CCCCC1	EMOLS-id_112034329	313.373	OWZSIIFBWREFCM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071518
OCC(NC(=O)Nc1sc2c(n1)CCC2)CC1OCCO1	EMOLS-id_319348934	313.373	GDTIEVNNTOGWLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071519
O=C(COC1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110450720,ZINC22_408013442	313.373	LNSUFXRHNKVKQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071520
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)C1CC1)OC(C)(C)C	SCHEMBL823793,PC-id_59323608	313.373	LNIBAQJHZUOTLX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071521
O=C(N1Cc2c(C1)n(nc2)S(=O)(=O)C1CC1)OC(C)(C)C	PC-id_59323601,SCHEMBL823878	313.373	XRGJENVNBLVIJH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071522
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCCO1	EMOLS-id_110481249	313.373	TWIKXFOVICFNQN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071523
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCOCC1	EMOLS-id_110420962	313.373	NZKABZYOHIGWAR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071524
O=C(NS(=O)(=O)c1cnc2n1CCC2)CCC1CCCO1	EMOLS-id_110420977	313.373	BDUZBZQOYLSUSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071525
O=C(NS(=O)(=O)c1cnc2n1CCC2)CCC1COCC1	EMOLS-id_110466274	313.373	ZRSOUECEIODZRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071526
O=C(NS(=O)(=O)CCC1CCCC1)c1cc2n(n1)CCO2	PC-id_136546794,EMOLS-id_112089911,ZINC22_408491566,MCULE-6763362247	313.373	AZWGCDLUISJWCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071527
O=C(NS(=O)(=O)C[C@H]1CCCOC1)c1cn2c(n1)CCC2	ZINC22_408494488	313.373	CFTPJOUEZJMNBA-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-071528
O=C(NS(=O)(=O)C[C@@H]1CCCOC1)c1cn2c(n1)CCC2	ZINC22_408494499	313.373	CFTPJOUEZJMNBA-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071529
OC(=O)C1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_72217668,PC-id_120394398,MCULE-6272951905	313.373	MVVUOZPZMJPEFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071530
OC(=O)C1CCC(N(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_102137753	313.373	IEXLAYXINMAMPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071531
s1c2CCCc2nc1NC(=O)NC(CCCOC)C(=O)O	PC-id_81085890	313.373	LWILQGZGYPJAIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071532
S1(=O)(=O)CC(CC1)C(c1n2CCCc2nn1)C(=O)OCC	PC-id_79482667	313.373	KOROHQXQIQULPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071533
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1onc2c1CCC2)C	PC-id_44086551	313.373	FKXAZTUODOMUBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071534
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1onc2c1CCC2)C	PC-id_44087181	313.373	MJVGPPGZYAPHIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071535
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1onc2c1CCC2)C	PC-id_49698061	313.373	PKHSMEYDJUYYRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071536
c1(ccc(OC)cc1N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328259209,MCULE-1015317517	313.374	JIHWBKIEDSWTFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071537
c1(NC(=O)Cn2cccc(C)c2=O)sc2c(CCC2)c1C#N	EMOLS-id_180185502,MCULE-8578366031,PC-id_84313482	313.374	FGLITXPYGFMFOP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071538
c1(NC(=O)Cn2c(C)cccc2=O)sc2c(CCC2)c1C#N	PC-id_84309250,MCULE-9537017122,EMOLS-id_180174269	313.374	VOSDAIVMQIKSIX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071539
c1(NC(=O)Cn2cc(C)ccc2=O)sc2c(CCC2)c1C#N	PC-id_84314584,EMOLS-id_180182231,MCULE-6439684887	313.374	HRDFSWANBJFAME-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071540
Cc1ccn(CC(=O)Nc2sc3CCCc3c2C#N)c(=O)c1	EMOLS-id_180177455,MCULE-5313918918,PC-id_84313067	313.374	VGKPTJZFORZOPR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071541
CC1(C)OCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101801507	313.416	SDEAANPUMGWHMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071797
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4806640,ZINC22_29860401	313.374	KPPUFYMOLKTAFG-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071542
C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)CCC2	ZINC22_29860403,CoCoCo_4806639	313.374	KPPUFYMOLKTAFG-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-071543
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4164283,ZINC22_12888344,PC-id_25578892	313.374	GHOWDBDHRYVUET-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071544
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_12888346,CoCoCo_4164284,PC-id_25578895	313.374	GHOWDBDHRYVUET-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-071545
CCOc1ncccc1C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_75412747,EMOLS-id_48205590,MCULE-6650989246,ZINC22_14500280	313.374	BJEVRBYYHTXJTC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071546
COc1cccc(c1)NC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_6400502,PC-id_35279729	313.374	NECBGZBLQZAFIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071547
COc1ccc(cc1)NC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_35766342,CoCoCo_6642336	313.374	DOUNIZMXUTZWJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071548
COc1cc(C)cnc1C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318598275	313.374	WMQBPSYOHJBQHW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071549
COc1nc(C)ccc1C(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318520553	313.374	WKBLFBQMUPTJPP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-071550
N#Cc1ccc(cc1)OC(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_24121620,MCULE-9193943463,PC-id_42889541	313.374	GHOWDBDHRYVUET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071551
N#Cc1ccccc1OC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_45811376,EMOLS-id_31896902,MCULE-3721585562	313.374	KPPUFYMOLKTAFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071552
N#Cc1nn(c2c1[C@@H](C)C(=C2)C)S(=O)(=O)c1ccc(cc1)C	SCHEMBL14597023,PC-id_71211398	313.374	GVXAZUYGRNKYJV-LBPRGKRZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-071553
O=C(c1ccc(s1)c1ccco1)NCc1cnc2n1CCC2	MCULE-2794210757,EMOLS-id_320149354	313.374	OZWOOVYRVBYCKK-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-071554
O=C(c1ccc(s1)c1ccco1)NCc1n[nH]c2c1CCC2	EMOLS-id_318941992	313.374	YDAYMUHHMOPQQD-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-071555
O=C(C1=NOC(C1)c1ccccc1)Nc1sc2c(n1)CCC2	EMOLS-id_48775602,MCULE-9839249251,PC-id_75415996	313.374	QMWUQJQAPDUASK-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-071556
O=C(C1ON=C(C1)c1ccccc1)Nc1sc2c(n1)CCC2	EMOLS-id_318563214	313.374	FPAOHYIPEQNDSH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-071557
O=C(Nc1nc2c(s1)CCC2)C1=NO[C@H](c2ccccc2)C1	PC-id_94569872,ZINC22_54654929	313.374	QMWUQJQAPDUASK-ZDUSSCGKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-071558
O=C(Nc1nc2c(s1)CCC2)C1=NO[C@@H](c2ccccc2)C1	ZINC22_54654931,PC-id_94569873	313.374	QMWUQJQAPDUASK-CYBMUJFWSA-N	00000011100000110001100010000000000000000000000000000000	25-01-071559
S(=O)(=O)(n1nc(c2C(C(=Cc12)C)C)C#N)c1ccc(cc1)C	PC-id_78037342	313.374	GVXAZUYGRNKYJV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-071560
CN(Cc1nnc2n1CCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1	PC-id_95133811,ZINC22_65440643	313.376	CNMMTPDXNQSFSS-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071561
CN(Cc1nnc2n1CCC2)C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC22_65440645,PC-id_95133812	313.376	CNMMTPDXNQSFSS-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-071562
CN(C(=O)NCc1nnc2n1CCC2)[C@H]1CCS(=O)(=O)C1	PC-id_97060992,ZINC22_89335191	313.376	LYBGCWNLZMXWKV-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-071563
CN(C(=O)NCc1nnc2n1CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_89335189,PC-id_97060991	313.376	LYBGCWNLZMXWKV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071564
CNS(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110356283	313.376	FGLRTGIDKJFRDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071565
O=C(N(C1CCS(=O)(=O)C1)C)NCc1nnc2n1CCC2	EMOLS-id_45753812,MCULE-2579040421,PC-id_71893462	313.376	LYBGCWNLZMXWKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071566
O=C(N(Cc1nnc2n1CCC2)C)NC1CCS(=O)(=O)C1	EMOLS-id_35716622,PC-id_53505053,MCULE-5096009799	313.376	CNMMTPDXNQSFSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071567
O=C(NCc1nnc2n1CCC2)NCC1CCS(=O)(=O)C1	MCULE-7051125985,PC-id_71894907,EMOLS-id_45752809	313.376	COLPCLIMKNKOBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071568
O=C(NCc1nnc2n1CCC2)NC[C@H]1CCS(=O)(=O)C1	PC-id_97085909,ZINC22_89893902	313.376	COLPCLIMKNKOBG-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071569
O=C(NCc1nnc2n1CCC2)NC[C@@H]1CCS(=O)(=O)C1	ZINC22_89893901,PC-id_97085908	313.376	COLPCLIMKNKOBG-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-071570
c1(cnn(C)c1n1cccc1)C(=O)Nc1sc2c(CCC2)n1	MCULE-7283832312,EMOLS-id_323225471	313.377	ADZQHEFXFMQPBI-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-071571
c1(C(=O)Nc2[nH]nc(c3cccs3)c2C)c2CCCc2[nH]n1	ZINC22_1875244071,MCULE-8681767949,EMOLS-id_331113746	313.377	LEKQIUIEORBZLP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-071572
c1(C(=O)NCc2c[nH]nc2c2cccs2)c2CCCc2n[nH]1	MCULE-8914697285,ZINC22_426373860,PC-id_119059227,EMOLS-id_82701539	313.377	UNSRFXMOYBOJSS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-071573
O=C(c1cc(n(c1C)c1nccs1)C)N1CCn2c1ncc2	EMOLS-id_320070889,MCULE-7149852456	313.377	SOIKDDOYMZDQLR-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-071574
O=C(c1c[nH]nc1c1cscc1)NCc1cnc2n1CCC2	MCULE-6825340541,EMOLS-id_320143809	313.377	FSNYMVRORVPFBP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-071575
O=C(c1[nH]nc(c1)c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_320241794,MCULE-4538927954	313.377	OVKNDFMAXUFKMA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-071576
Cn1nc(c2c1CN(C2)C(=O)c1cscc1)Cn1cncc1	PC-id_97519196	313.378	ZSOIVCVTHMBCLZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071577
CN(CC(=O)Nc1nc2c(s1)CCC2)c1ccc(C#N)cn1	PC-id_75416706,MCULE-3962598472,EMOLS-id_48778306,ZINC22_50028520	313.378	JFPIIGUJOXEONK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071578
n12ncnc1sc(=CN1CCN(CC1)c1ccccc1)c2=O	MCULE-7024457630	313.378	ZABLFTJFVGXMNP-UHFFFAOYSA-N	00000000100010110001100010000000000000000000000000000000	25-01-071579
O=c1/c(=C/N2CCN(c3ccccc3)CC2)/sc2ncnn12	ZINC22_618255366	313.378	ZABLFTJFVGXMNP-RAXLEYEMSA-N	00000000100010110001100010000000000000000000000000000000	25-01-071580
O=C(c1ccc(s1)c1n[nH]cc1)NCc1n[nH]c2c1CCC2	MCULE-7270151099,EMOLS-id_320249170	313.378	XFNIYBLAVBHXER-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-071581
O=C(NCc1nnc2n1CCC2)c1sccc1n1cccc1	EMOLS-id_29997852,CoCoCo_4658172,PC-id_45806289,ZINC22_40490025,MCULE-8027414977	313.378	MVILODRADIZOKF-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-071582
S1CCn2c1nc(c2)CNc1nnc(c2n(ccn2)C)cc1	PC-id_56875804	313.381	UGFCORJVLNCMBD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-071583
COc1ccc(C(C)(C)CNC(=O)c2occ3c2CCC3)cc1	MCULE-3525083935,EMOLS-id_177232926,ZINC22_585081722	313.391	NCJSCVPJWHWBRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071584
s1c2c(CCC2)c(c1NC(=O)CSC(=O)C)C(=O)OC	PC-id_16949164	313.392	SKVDOSGUENVIRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071585
c1(CN(C2CCCC2)C(=O)c2ccco2)c2CCCc2n(C)n1	MCULE-7945079573,PC-id_86266579,EMOLS-id_50145326	313.394	XJJVANIUWWZBSY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071586
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2C)OCC)n1	MCULE-8026171711,EMOLS-id_331038470	313.394	KQSDAQQEMQKEOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071587
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)OCCC)n1	EMOLS-id_331035655,MCULE-6378527952	313.394	QQRIMHPXMPVTCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071588
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)OC(C)C)n1	EMOLS-id_331035911,MCULE-3109845028	313.394	OVBOAXLVMYIJDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071589
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(C)c2C)OC)n1	EMOLS-id_331035143,MCULE-2320051291	313.394	OBTCRWPOIILKIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071590
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(C)c2)OCC)n1	MCULE-9278335382,EMOLS-id_331036423	313.394	SGZJSAMQRCFLFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071591
c1(C(=O)N)c2C(C)CCc2n(Cc2c(C)cc(c(C)c2)OC)n1	EMOLS-id_331035399,MCULE-1797219642	313.394	MDBBVTYOEMMEER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071592
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)c(c(C)c2)OC)n1	MCULE-2663996932,EMOLS-id_331036167	313.394	ZJHFXVUJUKGXPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071593
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1C)OCC	EMOLS-id_331020464,MCULE-7724661765	313.394	BZWQWQJPQGVKNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071594
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)OCCC	EMOLS-id_331021744,MCULE-1312923740	313.394	XGALEJUHLGZAMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071595
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)OC(C)C	EMOLS-id_331022000,MCULE-1862983313	313.394	SHBUISLANXKQEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071596
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(C)c1C)OC	EMOLS-id_331021232,MCULE-3814825070	313.394	RDNLXJFVFOGYIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071597
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(C)c1)OCC	EMOLS-id_331018417,MCULE-8903873780	313.394	GRNOZSQECSWXPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071598
c1(C(=O)N)c2C(C)CCc2nn1Cc1c(C)cc(c(C)c1)OC	EMOLS-id_331021488,MCULE-8891589582	313.394	IQERTVDLONEZCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071599
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)c(c(C)c1)OC	EMOLS-id_331022256,MCULE-9452229175	313.394	VRSZQITTZCVICZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071600
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1C)OC	EMOLS-id_331019704,MCULE-3484919694	313.394	DLWGRKMPXXLLSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071601
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)OCC	EMOLS-id_331020984,MCULE-6200516451	313.394	KHQBPHOAMOGFON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071602
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)OC	MCULE-9626070053,EMOLS-id_331019448	313.394	MIPSUJSAIPGTOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071603
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(OCC)c1	EMOLS-id_331022266,MCULE-6198555188	313.394	OLSIGYKWETVOKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071604
c1(C(=O)Nc2ccc(cc2)OC(C)(C)C)c2CCCc2n(C)n1	MCULE-1020149257,PC-id_84467409,EMOLS-id_320479500	313.394	JDOGFXHKNOJGRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071605
c1(C(=O)Nc2ccc(cc2)OCC(C)C)c2CCCc2n(C)n1	PC-id_84466417,MCULE-6422799902,EMOLS-id_320480271	313.394	YXSJWWAGWUDPFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071606
c1(C(=O)Nc2cc(C)ccc2OCCC)c2CCCc2n(C)n1	PC-id_84467412,MCULE-8837479422,EMOLS-id_320480268	313.394	HXWWUEFBHIISSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071607
c1(C(=O)Nc2cc(C)ccc2OCC(C)C)c2CCCc2[nH]n1	MCULE-2908953590,EMOLS-id_335058909	313.394	WEOMHMYYGRZSPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071608
c1(C(=O)N(C)CCOc2ccc(cc2)CC)c2CCCc2[nH]n1	ZINC22_55357999,PC-id_46995922,MCULE-7744981465,EMOLS-id_31621099	313.394	FYVAIBHZIJMDMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071609
CC1CC(c2n1ccn2)NCc1cccc(c1)C1(C)OCCO1	EMOLS-id_318664834,MCULE-3353263624	313.394	VZRUUCNIDGIGCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071610
Cc1cc(C2OCCO2)c(cc1CNC1CCn2c1ncc2)C	MCULE-3751490111,EMOLS-id_320275555	313.394	SSUPIRLXDWTOEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071611
Cc1cccc(c1)C(C(C)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318383557	313.394	AQTPQRHNRTULID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071612
Cc1ccc(c(c1)OC1COCC1)CNC1CCn2c1ncc2	EMOLS-id_318099861	313.394	QDRJTEPAFBCVBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071613
Cc1ccc(C[C@H](CO)CNC(=O)c2cnn3c2CCC3)cc1	ZINC22_1875265636	313.394	CLWRDTZEEZVTPH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071614
Cc1ccc(C[C@@H](CO)CNC(=O)c2cnn3c2CCC3)cc1	ZINC22_1875265637	313.394	CLWRDTZEEZVTPH-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071615
Cc1ccc(o1)C1CCCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111082260	313.394	YYBUVTSGDLFWGP-UHFFFAOYSA-N	00000010101000000101100010000000000000000000000000000000	25-01-071616
CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318378368	313.394	MKHYFKBVIZSFPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071617
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1CN	EMOLS-id_330999984,MCULE-4486892159	313.394	JABPDHKAFDZKIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071618
CCC(c1ccccc1OC)N(C(=O)c1cn2c(n1)CCC2)C	MCULE-1413710161,EMOLS-id_316908455	313.394	RDABFSZCODFAQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071619
CC(CC(c1ccccc1)CNC(=O)c1n[nH]c2c1CCC2)O	PC-id_112275535	313.394	SDBWJXHMNPSULB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071620
CCC(CN(C(=O)c1cnc2n1CCC2)Cc1ccccc1)O	EMOLS-id_318124408	313.394	NVPGTMZKWBMYOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071621
CCCCOc1cccc(c1)C(=O)Nc1n(C)nc2c1CCC2	CoCoCo_5273011,PC-id_30859106	313.394	MPXRNHDZGVCLAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071622
CC(=CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109485	313.394	FBSJXSMHSUHFDC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071623
CC[C@H](N(C(=O)c1cnn2c1CCC2)Cc1ccccc1)CO	EMOLS-id_318338876	313.394	DMGMULQKDSHQHO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071624
C[C@@H](c1ccc(cc1)C(C)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318378112	313.394	MKHYFKBVIZSFPI-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071625
COc1cccc(c1)C1CC(CN1Cc1cc2n(n1)CCC2)O	EMOLS-id_318283796	313.394	AYDGMJUBOMQFPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071626
COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc2n(n1)CCC2	ZINC22_294993860	313.394	OSGVHVSWYVVNCW-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071627
COc1ccccc1C[C@H](C)N(C)C(=O)c1cc2n(n1)CCC2	ZINC22_294993863	313.394	OSGVHVSWYVVNCW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071628
COc1ccccc1CC(N(C(=O)c1nn2c(c1)CCC2)C)C	EMOLS-id_316928341,MCULE-8546165096	313.394	OSGVHVSWYVVNCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071629
COc1ccccc1C(C(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_318643607	313.394	MCQRGCUDHFLEMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071630
COc1ccc(cc1)C(C(=O)NCc1cnc2n1CCC2)(C)C	MCULE-2788616733,EMOLS-id_320224193	313.394	BEIHEIMRKTXBNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071631
COc1ccccc1C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_319938609,MCULE-5912135619	313.394	UIAAXTLZWMSLFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071632
COc1ccc(cc1NC(=O)c1cc2n(n1)CCC2)C(C)(C)C	EMOLS-id_318587268	313.394	QBXMCJNGWWFBMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071633
COc1ccc(cc1NC(=O)c1cnc2n1CCC2)C(C)(C)C	EMOLS-id_318645560	313.394	FZDYGQAPUUEOMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071634
COc1ccc(cc1NC(=O)c1cnn2c1CCC2)C(C)(C)C	EMOLS-id_318440724	313.394	XNONHRIIEOLADN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071635
COc1c(C)cc(CN(C)C(=O)c2n[nH]c3c2CCC3)cc1C	EMOLS-id_316833070,PC-id_134813100,MCULE-8487141628,ZINC22_101529699	313.394	HPWMFQVTTXJFJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071636
NOC(=O)CC1CCc2c1n(Cc1ccccc1)c(n2)C(C)C	PC-id_67433362,SCHEMBL2508116	313.394	CVROETZMVLGICP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071637
Oc1ccc(cc1)CC(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_319141114	313.394	SUZCQBBQBARXAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071638
O=C(c1ccc(cc1)OC(C)(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_317915866	313.394	OZQOFCVGQVBFAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071639
O=C(c1cccc(c1)OC(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319046566	313.394	LTOQWMJRGFHYAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071640
O=C(c1ccc(cc1)OC(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319952144,MCULE-7014138102	313.394	PSKOYHKYFGIJMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071641
O=C(c1cccc(c1)OC(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319253339	313.394	HSLOZARCJRBPMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071642
O=C(c1nn2c(c1)OCC2)NC(C(C)(C)C)c1ccccc1C	EMOLS-id_318526365	313.394	ZSKULYFIEGBCLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071643
O=C(C(C(c1ccccc1)C)(O)C)NCc1cnc2n1CCC2	EMOLS-id_319183734	313.394	ITBVTXDINZCMRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071644
O=C(C(C(c1ccccc1)C)(O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320219674,MCULE-1229856798	313.394	LPOPWIYCTXJROX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071645
O(CCCC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536275	313.394	FJTJCACDFMPKAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071646
O=C(CCC[C@H](O)c1ccccc1)NCc1n[nH]c2c1CCC2	ZINC22_2325781533	313.394	CJPZBTWXHBSXDI-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071647
O=C(CCC[C@@H](O)c1ccccc1)NCc1n[nH]c2c1CCC2	ZINC22_2325781534	313.394	CJPZBTWXHBSXDI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071648
OCCC(N(C(=O)c1n[nH]c2c1CCC2)Cc1ccccc1)C	PC-id_109957389	313.394	GMDNUJJMTQKTNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071649
OCC(NC(=O)c1cc2n(n1)CCC2)Cc1ccc(c(c1)C)C	EMOLS-id_318325583	313.394	XSBSXYDEKHPTRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071650
O(CC(=O)Nc1n(nc2c1CCC2)C)c1ccc(C(C)C)cc1	PC-id_45536818	313.394	LRGSERWFCXJUEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071651
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cocc1	PC-id_92109890	313.394	PBLYFKBVBJYSQQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071652
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CCC1	PC-id_92109448	313.394	SEVGFYQAODZFHJ-UHFFFAOYSA-N	00001010101000000001000010000000000000000000000000000000	25-01-071653
O=C(NCc1n[nH]c2c1CCC2)COc1c(C)cc(cc1C)C	EMOLS-id_319586607	313.394	MJPLVYVQKHYRPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071654
O=C(O)CCCN(Cc1ccccc1)Cc1cc2n(n1)CCC2	EMOLS-id_316961077,ZINC22_864095889,MCULE-1276724191	313.394	LITWLHSLALKUBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071655
c1(NC(=S)NNC(=O)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_3999270,MCULE-4738548171,CoCoCo_6806868,PC-id_17372220,TIMTEC160079	313.396	FYFAFRXNGYHHMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071656
CNCc1ccc(o1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053376	313.396	GDOLSEVHDVORAI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071657
CN(Cc1oc2c(n1)CN(C2)S(=O)(=O)c1cccs1)C	PC-id_97406060,CHEMBL3552509	313.396	JMMBAMWUTULLFA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071658
COc1ccsc1S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318546139	313.396	HJEAUNHMNVMDSS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071659
NCc1oc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053337	313.396	YZSUIOMHDPYTSC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-071660
OCc1cc(cn1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978030	313.396	CHUQCOVXFQWGTL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-071661
S1CC(N(CC1)C(=O)Nc1sc2CCCc2n1)C(=O)O	PC-id_82904321	313.396	JSFALSIXVYVNGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071662
S1C(N(C(C1)C(=O)O)C(=O)Nc1sc2CCCc2n1)C	PC-id_63779889	313.396	CEDVUVAPIDBJPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071663
c1(c2CCCc2[nH]n1)C(=O)N1CCCCC1CCn1cccn1	MCULE-6383766567,PC-id_70710057,EMOLS-id_43557573	313.397	MIVUBPNRBFTJRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071664
c1cc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)ccn1	ZINC22_1849477670	313.397	NPECJTSRNKYLKC-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-071665
c1cc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)ccn1	ZINC22_1849477671	313.397	NPECJTSRNKYLKC-CQSZACIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-071666
c1(CN2CCCC(COc3ccncc3)C2)nnc2CCCn12	MCULE-7532623133,EMOLS-id_323896060	313.397	NPECJTSRNKYLKC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-071667
c1(CN2CCN(CC2)c2ccccc2OC)nnc2CCCn12	MCULE-3793459460,EMOLS-id_330480735,ZINC22_1888864171	313.397	GGFVKBSOAONKPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071668
c1(CN2CCN(CC2)c2cccc(OC)c2)nnc2CCCn12	MCULE-7933694477,ZINC22_1888864244,EMOLS-id_330480991	313.397	YFBXHDZTABAHMA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071669
CC1CC(c2n1ncn2)NC1CCC(CC1)(O)c1cccnc1	EMOLS-id_316585696	313.397	HLTPYTLLUXBXJD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071670
CC1CC(c2n1ncn2)NCc1ccccc1N1CCOCC1	EMOLS-id_258182016,MCULE-8765611798	313.397	AAGFVEQWAVHVIP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071671
CC1CC(c2n1ncn2)NCc1cccc(c1)N1CCOCC1	EMOLS-id_279086551,MCULE-8619547717	313.397	LAAACZVBECOGAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071672
CC1CC(c2n1ncn2)NCc1ccc(nc1)OC1CCCC1	EMOLS-id_316572129	313.397	PXACWHWJUSDIJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071673
CC1CC(c2n1ncn2)NCc1ccnc(c1)OC1CCCC1	EMOLS-id_279081788	313.397	QWYCWVNJBDXKQT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071674
Cc1ccc(cc1NC1CC(n2c1ncn2)C)N1CCOCC1	MCULE-7906059989,EMOLS-id_318681244	313.397	JFRAZUVFADOIKJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071675
Cc1cc(C)c(c(c1)C)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318699800	313.397	WTKXFQJGXPALBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071676
Cc1cccc(C(C)C)c1NC(=O)NCc1nnc2n1CCC2	PC-id_52189157,EMOLS-id_36633590,ZINC22_43313268,MCULE-8647459064	313.397	ZTJSPUSOMGEGRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071677
Cc1cccc([C@@H](C(=O)NCc2nnc3n2CCC3)N(C)C)c1	ZINC22_65427299,PC-id_95131823	313.397	VHUPQOYEPCWXSL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071678
Cc1cccc([C@H](C(=O)NCc2nnc3n2CCC3)N(C)C)c1	ZINC22_65427304,PC-id_95131824	313.397	VHUPQOYEPCWXSL-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071679
Cc1cccnc1OC1CCN(CC1)CC1CCc2n1ncn2	PC-id_146137755	313.397	VVHMTVYSXZYOOH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-071680
Cc1cccnc1OC1CCN(C[C@@H]2CCc3ncnn23)CC1	ZINC22_639616412	313.397	VVHMTVYSXZYOOH-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-071681
Cc1cccnc1OC1CCN(C[C@H]2CCc3ncnn23)CC1	ZINC22_639616413	313.397	VVHMTVYSXZYOOH-CQSZACIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-071682
Cc1cc(C(=Nc2c3c(nn2C)CCC3)O)nn1[C@H](C)C1CC1	ZINC22_329498003	313.397	VDJCTZRVJUFNNC-LLVKDONJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071683
Cc1cc(C(=Nc2c3c(nn2C)CCC3)O)nn1[C@@H](C)C1CC1	ZINC22_329498004	313.397	VDJCTZRVJUFNNC-NSHDSACASA-N	00100010100000000001000010000000000000000000000000000000	25-01-071684
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	PC-id_95606044,ZINC22_71870203	313.397	XAQWCYWABJLNSB-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071685
Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	PC-id_95606045,ZINC22_71870204	313.397	XAQWCYWABJLNSB-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071686
Cc1c(cnn1C1CCCCC1)C(=O)NC1CCn2c1ncc2	EMOLS-id_316899432,PC-id_136546513,MCULE-6341358561	313.397	ZRLWEKUECFUSSE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071687
Cc1c(C(=O)N[C@H]2CCn3ccnc23)cnn1C1CCCCC1	ZINC22_1616027796	313.397	ZRLWEKUECFUSSE-HNNXBMFYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071688
Cc1c(C(=O)N[C@@H]2CCn3ccnc23)cnn1C1CCCCC1	ZINC22_1616027797	313.397	ZRLWEKUECFUSSE-OAHLLOKOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071689
Cc1cnn(c1)CC1CCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_36954349,PC-id_56779087,MCULE-1570917457	313.397	CBTMQBMLCNLLPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071690
Cc1cnn(C[C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)c1	PC-id_95603259,ZINC22_71865930	313.397	CBTMQBMLCNLLPT-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071691
Cc1cnn(C[C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)c1	PC-id_95603260,ZINC22_71865931	313.397	CBTMQBMLCNLLPT-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071692
CC1COCCN1c1ccc(cc1)NC1CC(n2c1ncn2)C	MCULE-5777227990,EMOLS-id_318675441	313.397	KEPNRXGUAAADMI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071693
Cc1nc(ccc1NC1CC(n2c1ncc2)C)N1CCOCC1	EMOLS-id_318248545,MCULE-9344164818	313.397	CFJRIPSOAIGHBN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071694
Cc1nc(ccc1NCc1cnc2n1CCC2)N1CCOCC1	EMOLS-id_318109505,MCULE-3802671700	313.397	BETKGWMKFAAHCS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071695
Cc1[nH]c(nc1C)C1CCCN1C(=O)c1n(C)nc2c1CCC2	EMOLS-id_320160436,MCULE-6413126386	313.397	NGDOTARLLRRBAH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071696
Cc1[nH]c(nc1C)C1CCCN(C1)C(=O)c1cnc2n1CCC2	EMOLS-id_318896476	313.397	HKRJGIXFUYPPQI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071697
Cc1nn(c(c1)C)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_56779560,EMOLS-id_36955293,MCULE-3567664431	313.397	XAQWCYWABJLNSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071698
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_72234091,PC-id_95735766	313.397	JDHCCEPMDYAWSJ-AWEZNQCLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071699
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_72234092,PC-id_95735767	313.397	JDHCCEPMDYAWSJ-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071700
CC1OC(C)CN(C1)c1ccc(cn1)NC1CCn2c1ncc2	MCULE-6521164487,EMOLS-id_318373684	313.397	NDHSYLXDIHCKFT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071701
CCc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)CC	EMOLS-id_319235190	313.397	ZPXKTPFWMJPDJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071702
CCc1cccc(c1NC(=O)N1Cc2c(C1)c(n(n2)C)N)CC	EMOLS-id_319440613	313.397	CCNOTRXLPZFOEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071703
CCc1cccc(CC)c1NC(=O)NCc1nnc2n1CCC2	EMOLS-id_36633604,ZINC22_43340582,PC-id_52189683,MCULE-2764506981	313.397	DEDNIROKQIUOTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071704
CCc1nc(C)c(c(n1)C)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318840363	313.397	FWOURHFAQQOIAC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-071705
CCc1nccn1C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-7040509061,EMOLS-id_36689619,PC-id_53618436	313.397	KUGKUWGHHSBRSI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071706
CCc1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_95343081,ZINC22_69927641	313.397	KUGKUWGHHSBRSI-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071707
CCc1nccn1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_69927645,PC-id_95343082	313.397	KUGKUWGHHSBRSI-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071708
CC(c1nn2c(c1)CCC2)Nc1ccc(cn1)N1CCOCC1	EMOLS-id_318365769,MCULE-2454072942	313.397	IJXJNONGWYOHDU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071709
CCCCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319454454	313.397	YCFUEILBUIHQOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071710
C#CCCC1(CCC(=O)Nc2c3c(nn2C(C)C)CCC3)N=N1	ZINC22_2325892370	313.397	KZMMNHDQCFZSCD-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-071711
CCCNC(=O)c1cccc(c1)CNC1CC(n2c1ncn2)C	EMOLS-id_318971291	313.397	AUVFCQHTYTXCPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071712
CCn1ccnc1C1CCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318460032	313.397	LMUMANICSPSFRW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071713
CCn1cncc1C1CCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318390931	313.397	XQLLCGBGXUQGGU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071714
CCN(CC(=O)N(C)Cc1nnc2n1CCC2)c1ccccc1	MCULE-2544299203,ZINC22_58289368,PC-id_51096668,EMOLS-id_32120227	313.397	FZUUKHAPPITVIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071715
Cn1nc2c(c1CNc1cccnc1N1CCOCC1)CCC2	EMOLS-id_316951680,MCULE-9880574405,PC-id_136561179,ZINC22_921927426	313.397	LMJNQXHYFWBCQJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071716
Cn1nc(cc1NC(=O)c1cnc2n1CCC2)C1CCCCC1	EMOLS-id_318461588	313.397	IMVBYMHKWJIEHI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071717
Cn1nc(cc1NC(=O)c1cnn2c1CCC2)C1CCCCC1	EMOLS-id_318545957	313.397	RORBLBYXRGHJAK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071718
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cc[nH]c1)C2	EMOLS-id_313735891,ZINC22_1565553116	313.397	KZCLDRVQDHDOHB-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-071719
CN(Cc1nn(c2c1CN(C2)C(=O)Nc1cccc(c1)C)C)C	PC-id_97405280	313.397	LZWHQSFSSLIIIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071720
CN(Cc1nn(c2c1CN(C2)C(=O)Nc1ccc(cc1)C)C)C	PC-id_97519173	313.397	BPGKBHWBKWQKJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071721
CN(Cc1nn(c2c1CN(C2)C(=O)NCc1ccccc1)C)C	PC-id_97413562	313.397	JWQRCPQPKQFQNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071722
CN(C)C(C(=O)NCc1nnc2CCCn12)c1cccc(C)c1	PC-id_50969944,EMOLS-id_32409434,MCULE-3480586559	313.397	VHUPQOYEPCWXSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071723
COc1cccc(c1)N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318635304,MCULE-5471724608	313.397	UYQIZNZHFHTKAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071724
O1CCC2(CC1)N(CCc1c2[nH]cn1)Cc1nn2c(c1)CCC2	MCULE-8270014086,EMOLS-id_320188901	313.397	BBPDAFAHJXQFLI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071725
OC1CCN(CC1)c1ncccc1NCc1cnc2n1CCC2	EMOLS-id_318184375	313.397	GUDXELDQBDODOK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071726
O=C(c1cc2n(n1)CCC2)N1CCCC(C1)c1[nH]c(c(n1)C)C	EMOLS-id_319757032	313.397	KZDZDPFECDQUGB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071727
O=C(c1cc2n(n1)CCC2)Nc1cc(n(n1)C1CCCCC1)C	EMOLS-id_318473434	313.397	VXZFORLJGLZJHS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071728
O=C(c1cc2n(n1)CCC2)Nc1cc(nn1C)C1CCCCC1	EMOLS-id_318766771	313.397	GEDZFIYIBKSRKA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071729
O=C(c1cnc2n1CCC2)Nc1nn(c(c1)C)C1CCCCC1	EMOLS-id_318656390	313.397	IPZBIARYLDRADF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071730
O=C(c1cnn2c1CCC2)N1CCCC(C1)c1[nH]c(c(n1)C)C	EMOLS-id_319835977	313.397	PFYQXQQBCZROQF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071731
O=C(c1cnn2c1CCC2)Nc1nn(c(c1)C)C1CCCCC1	EMOLS-id_318453931	313.397	OXJLVQJQMZCOHS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071732
O=C(c1cnn(c1)C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318661656	313.397	AOKVYYJROGIIFY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071733
O=C(c1cnn(c1)C1CCCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_318375888	313.397	OZUIIRGCRZDWLA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071734
O=C(c1cnn(c1)C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319447066	313.397	DLJRLSXIQCYTRZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071735
O=C(c1cnn(c1)C1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319073425	313.397	JXBJHGWMXSGBLH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071736
O=C(c1cnn(c1C)C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318732930	313.397	RPFUESZTJFTOOT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071737
O=C(c1cnn(c1)CC1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_319296840	313.397	YYTWNYVWBRECFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071738
O=C(c1cnn(c1C)C1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_318506160	313.397	FTODKPOTZCUOCS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071739
O=C(c1cnn(c1)CC1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319504843	313.397	ZRHOMOHSFHUQLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071740
O=C(c1cnn(c1)CC1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318885252	313.397	XLKSCQWTRQOSRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071741
O=C(c1cnn(c1C)C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319455272	313.397	ZCMBWKAKBXFLCM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071742
O=C(c1n(C)nc2c1CCC2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_319327939	313.397	ANBOYIQFWWQNIX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-071743
O=C(c1nn(c(c1)C)C(C1CC1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98899235,MCULE-7953556262	313.397	VDJCTZRVJUFNNC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071744
O=C(c1nn(c(c1)C)C(C1CC1)C)NCc1cnc2n1CCC2	MCULE-8500781565,EMOLS-id_320333890	313.397	SLBOBBFTFTXLJI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071745
O=C(c1n[nH]c2c1CCC2)N1CCCC1c1c(C)nn(c1C)C	PC-id_72143542,MCULE-7631304557,EMOLS-id_42878210	313.397	JDHCCEPMDYAWSJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-071746
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)c1[nH]c(c(n1)C)C	EMOLS-id_319806391	313.397	FGDNWUCMMQPOHY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071747
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1CCn1cccn1	PC-id_96363615,ZINC22_77299313	313.397	MIVUBPNRBFTJRQ-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071748
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@H]1CCn1cccn1	ZINC22_77299311,PC-id_96363613	313.397	MIVUBPNRBFTJRQ-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071749
O=C(c1n[nH]c2c1CCC2)Nc1[nH]nc(c1)C1C(C1(C)C)(C)C	EMOLS-id_101301918	313.397	QALNLIDKQYLAOT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-071750
O=C(c1n[nH]c2c1CCC2)Nc1[nH]nc(c1)CC1CCCCC1	EMOLS-id_98639739	313.397	XAFNDXLOOCVHLZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071751
O=C(C(C(c1ccccc1)N)C)NC(c1nnc2n1CCC2)C	MCULE-2841927572,EMOLS-id_302718006,PC-id_119841164	313.397	JLQHKWSHWUEBNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071752
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)C(C)(C)C	EMOLS-id_319318923	313.397	PVFOQVGVIAMPML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071753
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1C(C)(C)C	EMOLS-id_319397373	313.397	HEXMKVPCUPTIOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071754
O=C(N(C(c1ccccc1)C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318755717	313.397	ZQPVCLIDEXTELW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071755
O=C(NC(c1n2CCCc2nn1)C)CCNc1c(cccc1)C	PC-id_47074432	313.397	YSROHEZTJIZYED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071756
O=C(NC(c1n2CCCc2nn1)C(C)C)NCc1ccccc1	PC-id_60273745	313.397	CDXAOAYXIZYUDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071757
O=C(NCc1n2CCCc2nn1)Nc1c(C(C)(C)C)cccc1	PC-id_60446492	313.397	VSCSDIWDZGZPSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071758
O=C(NCc1n2CCCc2nn1)Nc1ccc(C(C)(C)C)cc1	PC-id_60447552	313.397	QIBBEJHDYZEEJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071759
O=C(NC(CCc1ccccc1)C)NCc1n2CCCc2nn1	PC-id_75836814	313.397	RZNYAOVGAQTJBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071760
O=C(N[C@H](CCc1ccccc1)C)NCc1n2CCCc2nn1	PC-id_52380266	313.397	RZNYAOVGAQTJBD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071761
O=C(N[C@@H](CCc1ccccc1)C)NCc1n2CCCc2nn1	PC-id_52380267	313.397	RZNYAOVGAQTJBD-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071762
Cc1nnc(s1)C(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100244560	313.399	GOLKNLDUSZPIIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071763
CC(c1nnc(s1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100477485	313.399	NPJYYGYUEXOBDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071764
Cn1nc(c(c1C)S(=O)(=O)Nc1sc2c(n1)CCC2)N	PC-id_105358736	313.399	WCYVDGBDFPCXIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071765
Cn1nnc(c1)S(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C	MCULE-2237709081,EMOLS-id_320102173	313.399	MJFBFGACLOWABI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071766
CNCc1cn[nH]c1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053346	313.399	RVXPYPZXODTATJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071767
NCc1c(C)[nH]nc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053367	313.399	HAUXDDLLYFBPOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071768
NCc1n[nH]c(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053385	313.399	XVWBGGJGTJUXSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071769
NCCn1ncc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053315	313.399	QNDIEBXHIZTGNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071770
s1c2CCCc2nc1NS(=O)(=O)c1cn(nc1N)CC	PC-id_61508208	313.399	LMGMLXHSJWWXIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071771
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1scc(N)c1	PC-id_61300183	313.399	JCJXZHGTXDUYMZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071772
Cc1nc(N2CCCC2)nc(NCc2nnc3n2CCC3)c1C	EMOLS-id_317341919,ZINC22_1704341595,PC-id_135094456,MCULE-3774435808	313.401	XGUAGSHHMMANLE-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-071773
Cc1nc(NCc2nnc3CCCn23)cc(n1)C1CCNCC1	EMOLS-id_36457723,PC-id_56718650,MCULE-5291592923,ZINC22_67880894	313.401	IEKAUOVONLRHCU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071774
CC(c1nnc2n1CCC2)Nc1ccnc(n1)N1CCCCC1	EMOLS-id_318277870,MCULE-8042664901	313.401	UNHRMXJQAZJWCE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071775
CC(c1nnc2n1CCC2)Nc1ncnc(c1)N1CCCCC1	EMOLS-id_318103065,MCULE-9266316121	313.401	QCVRGLIGQOOZIT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071776
CCNC(=NCc1nnc2n1CCC2)NCCc1ccccn1	PC-id_111020179	313.401	IHXVDIGSXIXVJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071777
CC(F)(F)CC1CN(C(=O)c2cc3c(s2)CC(C)(C)C3)C1	ZINC22_2325791017	313.406	JQDJZUFERSMKPC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-071778
Fc1ccc(cc1)C1CCC(C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318174805,MCULE-6565208515	313.412	AHXJIWLXIVHYLW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071779
Fc1cccc(c1)C1CCC(C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318240202,MCULE-7547258279	313.412	YUCLEOPWEBXENS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071780
Fc1cccc(c1)C1(CCCCC1)CNC1CCn2c1ncc2	MCULE-4165816928,EMOLS-id_318288645	313.412	LTOQSRWNCYNGSW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071781
Fc1ccc(cc1)C1(CCCCC1)CNC1CCn2c1ncc2	MCULE-7036292820,EMOLS-id_318288389	313.412	HJEGWBUOXSHVOQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071782
Fc1ccc(cc1)C1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318018095,MCULE-6681954966	313.412	HISHVTJMHYWAKS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071783
Fc1ccc(cc1)CC1(CNC(c2nn3c(c2)CCC3)C)CC1	EMOLS-id_318176851	313.412	XBVTZIRKEHSRHS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071784
s1c2c(CCC2)c(OCC(O)CNC(C)(C)C)c1C(=O)O	PC-id_3069896	313.412	ICDMCVXKWPEJDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071785
Cc1ccccc1NC(=O)COC(=C)c1cc2c(s1)CCC2	PC-id_137389660,SCHEMBL20620321	313.414	JLGGGIBCSVVMQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071786
O=C1N(CCCCc2ccccc2)C(=O)c2c1c(C)sc2C	SCHEMBL16604933,PC-id_117982918	313.414	GDSOIALVCKDZGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071787
O=C(c1sc2c(c1)CCC2)N1CCOC(C1)c1ccccc1	PC-id_86924275	313.414	XFLXGRLFTQDDRN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071788
s1c2c(CCC2)c(c1N=Cc1cc(ccc1)C)C(=O)OCC	PC-id_24016455	313.414	FGYRDMHNNJBUJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071789
s1c2c(CCC2)c(c1N=Cc1c(cccc1)C)C(=O)OCC	PC-id_24072223	313.414	HUWPNLWWPWEHEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071790
s1c2c(CCC2)c(c1N=Cc1ccc(cc1)C)C(=O)OCC	PC-id_24152346	313.414	FWXSMISXXJYCCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071791
CC1CC(c2n1ccn2)NS(=O)(=O)CC1OCCC1(C)C	MCULE-3907888199,EMOLS-id_320265818	313.416	KDWUPBFMAFSQLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071792
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(=O)s2	SCHEMBL12262962	313.416	CMFQHTYWPKQFMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071793
CC1(C)CC(C(O1)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100207054	313.416	WQTNGFGRKRIJKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071794
CC1CCN(C(C1)C(O)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101102219	313.416	MWFZTOACUNOMOB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071795
CC1(C)CN(CC(O1)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101099735	313.416	YNKAQFZLNKVMQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071796
CC1OCCC(C1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240207	313.416	UUUXTBUKWGWCHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071798
CC1OCCC(C1)CS(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_320197508,MCULE-3575564385	313.416	LVQJHFAXWDZKSM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071799
CCC1(CCOCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238071	313.416	XADFPKWEABQIDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071800
CCC1(CO)CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100620413	313.416	VDWWEJNJZKOXGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071801
CCC1(CO)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240915	313.416	KCMXDINQAONEAU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071802
CC(C1OCCC(C1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100218847	313.416	RZLQEVVDYGKHQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071803
CCC1OC(CC)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102007791	313.416	QNFWMSRITVFOPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071804
CC(C1OCCCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_98042106	313.416	TZMAXZYRYUCNKC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-071805
CC(C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_101247007	313.416	XTAMYOPAGNLFKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071806
CCC(C1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100213516	313.416	PHPINXRPKVTTGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071807
CC(CC1COCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100174328	313.416	UFRKYHCCDQNPHQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071808
CCCCC(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C	CoCoCo_4982147,ChEMBL-DNDi_CHEMBLF0541-0004,PC-id_5124218	313.416	RKBLFXRLWZYCCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071809
CC(CC(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C)C	ChEMBL-DNDi_CHEMBLF0541-0008,PC-id_5124222,CoCoCo_2666471	313.416	GZNHYHOXDIYYMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071810
CC(COC1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100221145	313.416	KFNNBWYODOTDJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071811
CCOC1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100578658	313.416	ZFCDIOMGFWEHSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071812
CCOCC1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101961867	313.416	CJPITSWMPQXDHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071813
CCOCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100227331	313.416	ODXRWRNKTRGAAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071814
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319538866	313.416	JGRYUXHKHHUQEW-TUUUFIMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071815
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_318778053	313.416	CBBFQGOYNYQKBY-KGLIPLIRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071816
Cn1ncc2c1CN(C2)S(=O)(=O)CCOCC1CCCC1	EMOLS-id_316616013	313.416	MMVDULBOPNFWKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071817
CN(S(=O)(=O)c1cnc2n1CCC2)CCC1CCOCC1	EMOLS-id_100240831	313.416	CYHLTUJYMYQIHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071818
COC1C(C)C(C1(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226467	313.416	GDUBWOKNLOCJAL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-071819
COC1(C)CC(C1(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100228462	313.416	HDWRPSRAIZBIJE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-071820
COC1CCC(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100237945	313.416	BLAFOVBARQXYNR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071821
COC1(CCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242433	313.416	KROIAABMSURIJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071822
COC1(C)CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100370298	313.416	KBJSAMIYONFAHI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-071823
COC(C1CCCC1)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318281001	313.416	AWPKXFSGIANMPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071824
COCC1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100243156	313.416	PIJUHEIGUMUERS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071825
OC1CCCCC1CN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100218871	313.416	GTYCVUCVWNTPEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071826
OC1(CCCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100174292	313.416	RDDPSEAJGBNFFY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-071827
OC(C1CCCCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184766	313.416	SVNBRUCCPUJUBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071828
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1cccs1	EMOLS-id_318547787	313.416	XZHGHOVDHXVTSP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071829
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1ccsc1	EMOLS-id_318388436	313.416	AYDKALFPBTUOTA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071830
OCCCSc1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380752,PC-id_118614477	313.416	OMHQMQUJSJIFII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071831
O=S(=O)(c1cnc2n1CCC2)NCC1(O)CCCC1(C)C	EMOLS-id_98012459	313.416	JOYGGDJPLONRMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071832
O=S(=O)(CC1OCCC1(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320179915,MCULE-1564198084	313.416	HFTNNOQNRJDRPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071833
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)C(C)(C)C)C1	PC-id_5124220	313.416	NSXCATXNAFMUKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071834
S1(=O)(=O)Cc2c(sc(c2)C(=O)NCc2sccc2)C1	PC-id_3238829,CHEMBL1466006	313.416	YCKKYXCBHXQEON-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071835
c1(cc2c(CCC2)s1)C(=O)N1CCC(C1)c1nccc(C)n1	MCULE-8492210964,EMOLS-id_236191,BDE-32053305	313.417	BALUUEFRUBUUJD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-071836
c1(cc2c(CCC2)s1)C(=O)N1CCCC(c2cnccn2)C1	EMOLS-id_231939,MCULE-5781125681,BDE-32022862,PC-id_118740142	313.417	BKTJWLCVTCQVML-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071837
Cc1ccc(cc1)N1CCC(C1=O)Sc1[nH]c2c(n1)CCC2	EMOLS-id_318472268	313.417	HNBKLWAEJHJUEQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071838
Cc1ccnc([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257205754	313.417	BALUUEFRUBUUJD-CYBMUJFWSA-N	00000010100000100001100010000000000000000000000000000000	25-01-071839
Cc1ccnc([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257205755	313.417	BALUUEFRUBUUJD-ZDUSSCGKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-071840
CCc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1	EMOLS-id_324856557	313.417	MYQNUUKBXQXPCA-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071841
CCc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324850401	313.417	QFNCOWVBOJTEFJ-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071842
CCc1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324845284	313.417	OXBBDHURWVZKMK-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071843
CCCc1nc2s/c(=Cc3ccc(cc3)C(C)C)/c(=O)n2n1	EMOLS-id_324842734	313.417	LOYQXAXTHBADJW-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071844
CC(C)c1nc2s/c(=Cc3ccc(cc3)C(C)C)/c(=O)n2n1	EMOLS-id_324848871	313.417	HZAGAZFYHGAOCF-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071845
CCC(CC)c1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324853483	313.417	XNBQARWWACFEIQ-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071846
CCC(CC)c1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324850922	313.417	NLNPOBYQHONDRJ-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071847
CCC(CC)c1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324852459	313.417	JZNFYJPNUMTJDS-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071848
n12c(=O)c(=Cc3ccc(cc3)CC)sc1nc(C(C)(C)C)n2	MCULE-2586567702	313.417	QFNCOWVBOJTEFJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071849
n12c(=O)c(=Cc3ccccc3C)sc1nc(C(CC)CC)n2	MCULE-9922057026	313.417	XNBQARWWACFEIQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071850
n12c(=O)c(=Cc3cccc(C)c3)sc1nc(C(CC)CC)n2	MCULE-3326261541	313.417	JZNFYJPNUMTJDS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071851
n12c(=O)c(=Cc3ccc(C)cc3)sc1nc(C(CC)CC)n2	MCULE-4946429342	313.417	NLNPOBYQHONDRJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071852
n12c(=O)c(=Cc3ccc(C(C)C)cc3)sc1nc(C(C)C)n2	MCULE-8972945198	313.417	HZAGAZFYHGAOCF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071853
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)CC(C)C	MCULE-1989261390	313.417	MYQNUUKBXQXPCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071854
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)CCC	MCULE-7639108018	313.417	LOYQXAXTHBADJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071855
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CC	MCULE-9614593729	313.417	OXBBDHURWVZKMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-071856
O=C1C(CCCN1c1ccccc1)Sc1[nH]c2c(n1)CCC2	EMOLS-id_318701531	313.417	HCHOJMOHGLGJIG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071857
O=C1CCCN1c1cccc(c1)CNc1sc2c(n1)CCC2	EMOLS-id_318606706,MCULE-6089114065	313.417	QQSBFNFDIPQRNM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071858
O=C1NCCN(C1c1ccccc1)Cc1sc2c(n1)CCC2	EMOLS-id_318615303	313.417	OYEQPMPYCOYOCF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071859
O=C(c1cc2c(s1)CCC2)N1CCC(c2cnccn2)CC1	ZINC22_257306175,BDE-32034432,PC-id_118740124	313.417	STFAGDGPIGMZNJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071860
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](c2cnccn2)C1	ZINC22_257208100	313.417	BKTJWLCVTCQVML-CYBMUJFWSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071861
O=C(c1cc2c(s1)CCC2)N1CCC[C@H](c2cnccn2)C1	ZINC22_257208101	313.417	BKTJWLCVTCQVML-ZDUSSCGKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071862
O=C(C1CCCN1c1ccccc1)Nc1sc2c(n1)CCC2	EMOLS-id_318582780	313.417	SOCPJWUFEIUPHE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071863
O=C(C1CCN(C1)c1ccccc1)Nc1sc2c(n1)CCC2	EMOLS-id_318524255	313.417	UVRZUCAOBCQAJF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-071864
O=C(c1n[nH]c2c1CCC2)N1CCSCC1c1ccccc1	MCULE-2920993749,PC-id_75371842,EMOLS-id_48235866	313.417	JASLKRGQBIMLGA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071865
O=C(c1n[nH]c2c1CCC2)N1CCSC[C@@H]1c1ccccc1	PC-id_97214053,ZINC22_95397617	313.417	JASLKRGQBIMLGA-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071866
O=C(c1n[nH]c2c1CCC2)N1CCSC[C@H]1c1ccccc1	ZINC22_95397616,PC-id_97214052	313.417	JASLKRGQBIMLGA-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071867
O=C(c1sc2c(c1)CCC2)Nc1ccc(nc1)N1CCCC1	EMOLS-id_257873862,MCULE-6215999006	313.417	DXTXRLYODNKOCX-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-071868
O=C(c1sc2c(c1)CCC2)NC1CCN(C1)c1ccccn1	EMOLS-id_318608348	313.417	WWPHBCSWZTVYGU-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-071869
O=C(N1CC(C1)c1ccccc1)NCc1sc2c(n1)CCC2	EMOLS-id_318725725	313.417	WPXFBZVFAXTCIF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071870
O=C(N1CCC1c1ccccc1)NCc1sc2c(n1)CCC2	EMOLS-id_318747925	313.417	AMUVYDNLUSKWKT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-071871
O=C(N1CCCCC1c1ncccn1)c1sc2c(c1)CCC2	EMOLS-id_319439257	313.417	KKEQDOHHUPQASJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-071872
O=C(N1CCNCC1c1cccnc1)c1sc2c(c1)CCC2	PC-id_120731696	313.417	GEGCCCPOSVVBGL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071873
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1ccncc1	PC-id_9254440	313.417	IMSMHONWGJAYRF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071874
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1ncccc1	PC-id_17474055	313.417	MWOIBHHMHNEJLJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-071875
s1c2CCCc2cc1C(=O)NN=Cc1ccc(N(C)C)cc1	PC-id_84965639	313.417	IHTNGFBDVHHOEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071876
CC1CCCCN1S(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_98765448	313.419	PDKRJWZHDQBYLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071877
CC1CCN(CC1)S(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_98766218	313.419	FUQPRALSJXUQSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071878
CC(c1nnc2n1CCC2)NS(=O)(=O)N1CCCCCC1	EMOLS-id_98765535	313.419	INDCJDCUQBQZMK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-071879
CCN(S(=O)(=O)NC(c1nnc2n1CCC2)C)CC1CC1	EMOLS-id_99753637	313.419	DXOBGPPJDXZZJX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-071880
CN1CCN(CC1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100111866	313.419	OUIIRLOHCKYOJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071881
CN1CCN(C(C1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100224709	313.419	MTLXBICBPWOYER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071882
c1(CN(C)Cc2ccc(c3cc[nH]n3)s2)c2CCCc2[nH]n1	ZINC22_97527307,MCULE-2067804734,PC-id_74237682,EMOLS-id_49654386	313.421	CNCHLVYRKGAJDK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-071883
c12CCCc1c(C(=O)OCC)c(NC(=O)CCSC)s2	EMOLS-id_25508242,MCULE-8413297188,PC-id_46094778	313.436	GKGDANFTWRJGME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071884
CC1CCC(CC1)NC(=O)c1sc2c(c1)CS(=O)(=O)C2	PC-id_3243680,ChEMBL-DNDi_CHEMBL1348248,CHEMBL1348248	313.436	ZMMDMQRRWVHRBA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071885
C[C@@H]1CCCC[C@H]1NC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175361	313.436	SEDQBKNTBHZJJA-MWLCHTKSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071886
C[C@@H]1CCCC[C@@H]1NC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175362	313.436	SEDQBKNTBHZJJA-KOLCDFICSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071887
C[C@H]1CCCC[C@@H]1NC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175363	313.436	SEDQBKNTBHZJJA-ONGXEEELSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071888
C[C@H]1CCCC[C@H]1NC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175364	313.436	SEDQBKNTBHZJJA-GXSJLCMTSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071889
C[C@@H]1CC[C@H](CC1)NC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175357	313.436	ZMMDMQRRWVHRBA-HOMQSWHASA-N	00000010100010000000000010000000000000000000000000000000	25-01-071890
C[C@@H]1CC[C@@H](CC1)NC(=O)c1sc2c(c1)CS(=O)(=O)C2	GD-id_ZINC04035457,CoCoCo_2175358	313.436	ZMMDMQRRWVHRBA-JGZJWPJOSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071891
C[C@H]1[C@@H](C)N(C(=O)c2cc3c(s2)CCC3)CCS1(=O)=O	PC-id_97091039,ZINC22_89919978	313.436	VORWURGUWWBAIK-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071892
C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc2c(s1)CCC2	PC-id_97091040,ZINC22_89919979	313.436	VORWURGUWWBAIK-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071893
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc2c(s1)CCC2	ZINC22_89919980,PC-id_97091041	313.436	VORWURGUWWBAIK-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071894
C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc2c(s1)CCC2	ZINC22_89919981,PC-id_97091042	313.436	VORWURGUWWBAIK-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071895
CCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_58406054,PC-id_94823314	313.436	RXLWCQOIVMGLAC-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071896
CCN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_58406055,PC-id_94823315	313.436	RXLWCQOIVMGLAC-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-071897
CCN(C(=O)c1sc2c(c1)CCC2)C1CCS(=O)(=O)C1	PC-id_51075773,MCULE-9547793916,EMOLS-id_33302599	313.436	RXLWCQOIVMGLAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071898
O=C(c1sc2c(c1)CCC2)NCC1CCCCS1(=O)=O	EMOLS-id_99337015	313.436	MNIKHBMHTBWKAZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071899
O=C(c1sc2c(c1)CS(=O)(=O)C2)NC1CCCCCC1	CoCoCo_2175343,PC-id_20882718	313.436	LYXWUZDLQWHSHD-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-071900
O=C(N1CCS(=O)(=O)C(C1C)C)c1sc2c(c1)CCC2	PC-id_71930499,MCULE-6563336026,EMOLS-id_45651487	313.436	VORWURGUWWBAIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071901
s1c2CCCc2cc1C(=O)NC(CCSC)C(=O)OC	PC-id_85007356	313.436	BUBNCGIQUKWKPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071902
s1c2CCCc2cc1C(=O)N[C@H](CCSC)C(=O)OC	PC-id_9427082	313.436	BUBNCGIQUKWKPX-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071903
s1c2CCCc2cc1C(=O)N[C@@H](CCSC)C(=O)OC	PC-id_9427083	313.436	BUBNCGIQUKWKPX-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-071904
s1c2c(CCC2)c(c1NC(=O)CSCCCC)C(=O)O	PC-id_43359881	313.436	YORLOSAQDSDFJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071905
S1(=O)(=O)Cc2c(sc(C(=O)NC3C(CCCC3)C)c2)C1	CHEMBL1424824,PC-id_3240713	313.436	SEDQBKNTBHZJJA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071906
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_331000240,MCULE-3504736613	313.437	QHYWIAXOJTZBCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071907
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CN	MCULE-7593641530,EMOLS-id_331000752	313.437	NPONEDXCZOPGHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071908
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1CN	MCULE-7626947762,EMOLS-id_330999476	313.437	NHPLDDMHKODLBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071909
OC(=O)C1CCc2c1nc(s2)NCCN1CCSCC1	PC-id_106327463	313.439	QJICXKZGVLOTNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071910
O=S1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002079	313.439	VPLRYRXDSMGGGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071911
O=S(=O)(c1cnc2n1CCC2)N1CCSCC1C1CC1	EMOLS-id_101306691	313.439	KSXMYSUOMQNWLK-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-071912
Cc1[nH]nc(c1C1CCCCCN1Cc1cnc2n1CCC2)C	EMOLS-id_318124915	313.44	LOTQWPZFYKMNTP-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-071913
CC(c1ccccc1)NC(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_258182325	313.44	QDQFDMZNEVTUDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071914
CN(Cc1cncn1C1CCCCC1)Cc1n[nH]c2c1CCC2	PC-id_91831381,EMOLS-id_55622952,MCULE-1257018961	313.44	SOXNBQCPWOWEFW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-071915
N#Cc1c(NC(=S)NCc2ccccc2)sc2c1CCC2	MCULE-3243115168,CoCoCo_3922534,EMOLS-id_317325366,PC-id_4849292	313.44	QDZRNVSRFHMEKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071916
s1c2c(CCC2)cc1CNCC(O)COCCOC(C)C	PC-id_61207782	313.455	GXJJHGMECDRRIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071917
CN(C(=O)c1cc2c(s1)CCC2)c1ccc(C(C)(C)C)cc1	EMOLS-id_44543736,PC-id_71888378,ZINC22_65860724,MCULE-8911477697	313.457	TYILNPUIURFZQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071918
O=C(c1sc(c2c1CCC2)C)CCc1ccc(cc1)N(C)C	SCHEMBL12332597,PC-id_68247457	313.457	XPYQFDIABIHPKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071919
s1c2c(nc1CC(=O)CCc1ccccc1)C(CC2)C(C)C	PC-id_58125049	313.457	MEBFHJMCSWMELJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071920
CS(=O)(=O)c1ccc(s1)CNC1CCc2c1scc2	EMOLS-id_318512898,MCULE-1132325598	313.459	GBPJSZXLPDEWAV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-071921
c1ccc(cc1)N1CCC(CC1)NCc1sc2c(n1)CCC2	EMOLS-id_318471895,MCULE-8382067643	313.46	WJPDWYLELINQPO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071922
c1ccc(cc1)NC1CCCN(C1)Cc1sc2c(n1)CCC2	EMOLS-id_318126139,MCULE-2121368903	313.46	YZRBUHPEGGJISP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-071923
c1ccc(nc1)CN1CCC(CC1)NC1CCc2c1scc2	MCULE-1219342003,EMOLS-id_318461810	313.46	JLGJZWHARCVNGO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-071924
Cc1ccc(cc1)C1CSCCN1Cc1cnc2n1CCC2	EMOLS-id_318124914	313.46	VWQDAOFFPAOYEK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071925
CC1SCCN(C1c1ccccc1)Cc1cnc2n1CCC2	EMOLS-id_318150063	313.46	REEUWDZVSFRMSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-071926
CC(c1nn2c(c1)CCC2)NCC1(CC1)Sc1ccccc1	EMOLS-id_318035254	313.46	GBZYTPXHKCHCJI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-071927
CN1CC[C@H]([C@@H]1c1cccnc1)CNC1CCc2c1scc2	EMOLS-id_318607926,MCULE-4496654089	313.46	TXRNDJIUIANTHO-QRFGZVGRSA-N	00000010100000101000100010000000000000000000000000000000	25-01-071928
C(N1CCN(Cc2ccccc2)CC1)c1nc2CCCc2s1	MCULE-2154452540,EMOLS-id_337847160	313.46	OCBJZBRJUHKFAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-071929
CNSc1ccc(c(c1)/C(=C/1CCc2c1[nH]c(c2C)C)/C)N	PC-id_143004550	313.46	IFSFRQNQYGCTEF-RVDMUPIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071930
n1ccc(cc1)CN1CCC(CC1)NC1CCc2c1scc2	MCULE-1128891729,EMOLS-id_318718375	313.46	HXQRUVDYJOJEGS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-071931
n1ccc(cc1)N1CCC(CC1)CNC1CCc2c1scc2	MCULE-9070982046,EMOLS-id_318457763	313.46	FXAJNSGCABUEHS-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-071932
CC1CSC(=N1)SCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_48804003,MCULE-6030721888,PC-id_75437499	313.462	LFOWPLBRDIKFMG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-071933
C[C@@H]1CSC(=N1)SCC(=O)Nc1nc2c(s1)CCC2	PC-id_97330904,ZINC22_95980507	313.462	LFOWPLBRDIKFMG-SSDOTTSWSA-N	00000011100000000001000010000000000000000000000000000000	25-01-071934
C[C@H]1CSC(=N1)SCC(=O)Nc1nc2c(s1)CCC2	PC-id_97330905,ZINC22_95980508	313.462	LFOWPLBRDIKFMG-ZETCQYMHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-071935
s1c2CCCc2cc1C(=O)NNC(=S)NCC[NH+](C)C	PC-id_8746005	313.462	VXLXHAQXXHXHEI-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-071936
CCCCCCCCC1=NS(=O)(=O)c2c1c(C)sc2C	PC-id_118579458,SCHEMBL17339801	313.479	UYMCXQFVRRTGQI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-071937
NC(C1CCCC(C1)S(=O)(=O)C)c1sc2c(c1)CCC2	PC-id_105014152	313.479	CRDLKDWZTBQTBL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071938
S(=O)(=O)(C1CC(NCc2sc3c(CCC3)c2)CCC1)C	PC-id_80055474	313.479	QBHWCDKBVAQNOB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071939
CC(C)[Si](c1nc2c(s1)C(CO2)CO)(C(C)C)C(C)C	SCHEMBL15903453,PC-id_90303362	313.531	DTLFTPGATODELT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071940
c12CN(Cc1sc(I)c2CCl)C	EMOLS-id_331065130,MCULE-1267672406	313.586	ZYDUHWQRDRJXSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071941
FC(c1ccc(c(c1)NC(=O)c1cc2n(n1)CCO2)Cl)F	EMOLS-id_318624894	313.687	MCVRAMSLEAUVDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071942
C#Cc1ccc(cc1)C(=O)c1c(Cl)cc2n1CCC2C(=O)O	PC-id_20253962,SCHEMBL10816853	313.735	PYLPGVOAGYTPBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071943
ClS(=O)(=O)c1ccc(cc1)OCc1onc2c1CCC2	PC-id_20432043,SCHEMBL10936013	313.757	MMIOZNFWMPIGNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071944
COc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)Cl	EMOLS-id_316618298	313.76	HYEKZXKDINXVEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071945
COc1ccc(c(c1)S(=O)(=O)N1CCn2c1ncc2)Cl	EMOLS-id_316724211	313.76	BGMAOFZQRYSNFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071946
COc1cc(Cl)ccc1S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317963700	313.76	SMLVQTYWGZUODI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071947
COc1cc(Cl)ccc1S(=O)(=O)N1CCn2c1ncc2	MCULE-3341503739,EMOLS-id_320152242	313.76	YLYHQIWNKWUVLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071948
Clc1cccnc1S(=O)(=O)NCc1nnc2n1CCC2	EMOLS-id_319750105	313.763	ILBQHRJCTVXZIG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071949
Clc1cnc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)N	EMOLS-id_318367611	313.763	RXRMKVLFJYWJHM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-071950
Clc1nc2SCCn2c1/C=N/N1CCN(C1=O)C(=O)C	PC-id_24850715	313.763	IWSMFGLDLDDJGJ-AWNIVKPZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071951
Clc1nc2SCCn2c1C=NN1CCN(C1=O)C(=O)C	PC-id_74332665	313.763	IWSMFGLDLDDJGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071952
Clc1sc2S(=O)(=O)N(Cc3ccccc3)C(=O)c2c1	PC-id_10567202	313.78	DKUMWYVKEWRZJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071953
Clc1sc2c(C(NC(c3cc(F)c(F)cc3)C)CC2)c1	PC-id_81252995	313.793	KIWVSWIRNGEQEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071954
Clc1sc2c(C(NC(c3c(F)cccc3F)C)CC2)c1	PC-id_81251516	313.793	YUNYNRFEAIXFNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071955
Clc1sc2c(C(NC(c3c(F)ccc(F)c3)C)CC2)c1	PC-id_81251600	313.793	ORMKFVQUAYWAPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071956
Clc1sc2c(C(NC(c3c(F)cc(F)cc3)C)CC2)c1	PC-id_81252895	313.793	KFVLZHWCVIFNAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071957
Clc1sc2c(C(NCCc3cc(F)cc(F)c3)CC2)c1	PC-id_81252299	313.793	MBKGLMJLDPHRFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071958
CNC(c1cc(F)c(cc1Cl)F)c1sc2c(c1)CCC2	PC-id_107476222	313.793	BVLFFYMQVLLSPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071959
CC1(C)Cn2c(S1=O)ns/c/2=N/c1ccc(cc1)Cl	SCHEMBL10547617	313.826	WBSPRWXSPLMBHZ-GXDHUFHOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071960
CC1(C)Cn2c(S1=O)nsc2=Nc1ccc(cc1)Cl	SCHEMBL10547628	313.826	WBSPRWXSPLMBHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071961
Clc1ccc(/N=c/2snc3S(=O)C(Cn23)(C)C)cc1	PC-id_21270671	313.826	WBSPRWXSPLMBHZ-UVTDQMKNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-071962
Clc1nc(c(s1)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318449460	313.826	AXHTYAPMNGHTSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071963
Clc1sc(c(n1)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318483178	313.826	KSEHABHLGOQPSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071964
ClCc1nc(sc1)CC(=O)Nc1sc2CCCc2n1	PC-id_61510133	313.826	YNQJQRCGWGZRJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071965
O=C(CSCc1ccc(Cl)s1)N1Cc2c[nH]nc2C1	ZINC22_394098438	313.826	XRRYANKKURDZRL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-071966
ClCC1CN(CC(O1)(C)C)C(=O)c1sc2c(c1)CCC2	PC-id_114781118	313.843	KGZPNTPJBPGQDN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071967
ClCCOC1CCN(CC1)C(=O)c1sc2c(CCC2)c1	PC-id_82701309	313.843	UWABEWFGMDLLCH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071968
ClC1CCC(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_319601744	313.846	TZJHBABBPAGKNP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071969
Clc1sc2c(C(NC3CCN(CC3)CC(=O)N)CC2)c1	PC-id_81252062	313.846	KCLQMGIZEOPNOM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071970
ClCCC(=O)N1CCN(CC1)Cc1sc2CCCc2n1	PC-id_44060347	313.846	BYJKZHZRRGJXEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071971
ClC(C(=O)N1CCN(CC1)Cc1sc2CCCc2n1)C	PC-id_44060349	313.846	VJMALMDXFKTVOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071972
CC(Cc1nnc(s1)NC1CCc2c1cc(s2)Cl)C	PC-id_106260556	313.869	BLHZALRXQQDDIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071973
CCCNC(c1sc2c(n1)CCC2)c1ncc(s1)Cl	PC-id_107124756	313.869	ZSDKVPIZPXZYKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071974
CC(NC(c1sc2c(n1)CCC2)c1ncc(s1)Cl)C	PC-id_107124764	313.869	NCGDGMXZCKJFCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071975
Clc1sc2c(c1)C(CC2)NCc1cnc(s1)N(C)C	MCULE-1795311329,EMOLS-id_316845279	313.869	KUIAPNPNZYPHRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071976
CN(C)c1ncc(CN[C@H]2CCc3sc(Cl)cc23)s1	PC-id_164641746,ZINC22_352480777	313.869	KUIAPNPNZYPHRP-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-071977
CN(C)c1ncc(CN[C@@H]2CCc3sc(Cl)cc23)s1	ZINC22_352480778	313.869	KUIAPNPNZYPHRP-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-071978
Clc1sc2c(C(NC3CC(OCC3)(CC)CC)CC2)c1	PC-id_83032967	313.886	KBDVEUNNOZXKND-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071979
Clc1sc2c(C(NCC3(O)CCC(CC3)(C)C)CC2)c1	PC-id_81251628	313.886	RHDLQBVXKFYEPI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071980
Clc1sc2c(C(NCC3(O)CCC(CC3)CC)CC2)c1	PC-id_81251865	313.886	QRNXKKVNEGPONK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071981
Clc1sc2c(C(NCCCOC3CCCCC3)CC2)c1	PC-id_81251501	313.886	MTAFCRJCJNCVMX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-071982
Clc1sc2c(C(NCCCN3CCN(CC3)C)CC2)c1	PC-id_81251499	313.889	JVCMHCYJBWKIJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-071983
Clc1sc2c(C(NCCCCCCCCCC)CC2)c1	PC-id_81252925	313.929	RKEAVHYXMRIGSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071984
Brc1sc(Br)c2C(O)CC(O)c12	PC-id_11045239	313.994	ORSSEQGIGXHAFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071985
Brc1sc(Br)c2[C@@H]([NH3+])C[C@@H]([NH3+])c12	PC-id_21596735	314.041	AGOSPOJAHAQBDE-WSOKHJQSSA-P	00000010100000000000000010000000000000000000000000000000	25-01-071986
Brc1sc(Br)c2C([NH3+])CC([NH3+])c12	PC-id_73811361	314.041	AGOSPOJAHAQBDE-UHFFFAOYSA-P	00000010100000000000000010000000000000000000000000000000	25-01-071987
BrCc1c(Br)sc2CSCc12	EMOLS-id_331061547,MCULE-8006062918	314.061	PDAARVCBYAUCBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071988
CCOC(=O)CSC1=C2CCCC2=C(S1)C(=O)OCC	PC-id_149547995	314.065	ZPTWOWGHHQBKDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071989
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1oc(Cl)cc1	PC-id_20456518,SCHEMBL11061384	314.121	DRMBCIQKLCHBNP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-071990
Brc1sc2CCC(NC(=O)C(F)(F)F)c2c1	SCHEMBL5271290,PC-id_58686975	314.122	VLRNJNPPXCPDKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-071991
O=C(c1nc2n(c1Br)CCC2)N1CCC=C(F)C1	EMOLS-id_177290446,ZINC22_585089484,MCULE-5182951558	314.154	QIDYRGZAZVQTIM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-071992
Clc1sc2c(c1)NC(=O)C2=Cc1cccc(c1F)Cl	PC-id_68049805,SCHEMBL10160198	314.162	SJTHTYXGWZVNOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-071993
CCC1=C(N2CCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=CN3	PC-id_148548975	314.163	ROECEILUUKJLTI-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-071994
CCCCC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=CN3C	PC-id_148095717	314.163	SHRRGMPKTRDYIR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-071995
CCCCN1C=CC=C1C(=O)C2=C(C=C3N2CCC3C(=O)O)C	PC-id_148095660	314.163	OYPMPEICGTZZOG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-071996
CCCCOC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CN3C	PC-id_154280874	314.163	OCHJFVZKJBYXMV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-071997
CC(C)(C)OC(=O)c1nn(c2c1CC(=O)C2)CC1CC=CC=C1	PC-id_163832266	314.163	OEQLOMYZWLLKRG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-071998
CCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=CN3C)C	PC-id_154279403	314.163	FFIQLCHUJQEICJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-071999
Cn1c(C(=O)NCc2nnc3n2CCC3)cc(Cl)c1Cl	MCULE-5989780584,CoCoCo_4844397,EMOLS-id_31908480,ZINC22_32058982,PC-id_39296697	314.171	QBGIZGDHFNHFBE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-072000
CC1=CC(=C(N1C2CCCOC2)C)C(=O)N3CC4=C(C3)NN=C4	MCULE-9111882658,EMOLS-id_317297908,PC-id_154740900	314.174	CKTQBSWZGSMYKT-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-072001
Brc1cnc(c(c1)F)Nc1sc2c(n1)CCC2	PC-id_108164261	314.177	QPVXXHWJZJZVDN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072002
c12CN(Cc1nn(CC1CCC1)c2Br)C(=O)OC	EMOLS-id_324339820,MCULE-7349358206	314.178	OIMQTCHKOCPHFM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-072003
O=C(c1nc2n(c1Br)CCC2)NCC1CCCO1	EMOLS-id_177290443,MCULE-7702022018	314.178	POBWXWOJNVVLQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072004
O=C(NC[C@@H]1CCCO1)c1nc2n(c1Br)CCC2	ZINC22_585089475	314.178	POBWXWOJNVVLQK-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072005
C1CC2=NN=C(N2C1)CN3CCC(CC3)COC4=NC=CN=C4	PC-id_154830551,EMOLS-id_324547403,MCULE-4919809174,ZINC22_1849074882	314.186	PPJZBWKCZUIZKX-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-072006
Clc1cc(C(=O)Nc2sc3CCCc3n2)cnc1Cl	PC-id_47119108	314.19	MPTPOPYLKTTYKW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072007
Clc1cc(nc(n1)Cl)NC(=O)c1sc2c(c1)CCC2	PC-id_108368675	314.19	BSWNRBPUIDQDSE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072008
Clc1c(nc(Cl)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_47119135	314.19	DQDBJMBIYWNQKG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072009
Clc1ncc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_114918259	314.19	YOGDDXPNXJAXOP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072010
Clc1nc(Cl)cc(C(=O)Nc2sc3CCCc3n2)c1	PC-id_37833242	314.19	HSQJTHDCBBJHTO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072011
O=C(c1sc2c(c1)CCC2)Nc1c(Cl)ncnc1Cl	PC-id_108377758	314.19	OXPJRSGSACHWKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072012
O=C(c1sc2c(c1)CCC2)Nc1ncnc(c1Cl)Cl	PC-id_108183107	314.19	CKMJTKNMSJZYRK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072013
Brc1nnn(c1C(c1sc2c(c1)CCC2)O)C	PC-id_106465463	314.201	VQNBQAIVPSARHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072014
Brc1sc2c(c1)C(CC2)NCc1nonc1C	EMOLS-id_318614133	314.201	JBYMKRJWPYCNSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072015
Brc1csc(n1)CNCc1nnc2n1CCC2	MCULE-8984697256,EMOLS-id_318449838	314.205	OYDSSGCGHLOJFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072016
Brc1ccc(cc1)/N=c
/snc2n1CCS2	SCHEMBL10932683	314.225	YQHNZNGSCMKQRZ-FMIVXFBMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072017
Brc1ccc(/N=c/2snc3SCCn23)cc1	PC-id_13649854	314.225	YQHNZNGSCMKQRZ-XFXZXTDPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072019
Clc1sc2CCC(Nc3cc(Cl)c(OC)cc3)c2c1	PC-id_81252153	314.23	QVINIHBBFCOXCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072020
Clc1sc2CCC(Nc3cc(OC)ccc3Cl)c2c1	PC-id_81251523	314.23	HTVGPUNMCZHCMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072021
Clc1sc2CCC(Nc3c(OC)ccc(Cl)c3)c2c1	PC-id_81252372	314.23	BYMPMGQPKGJQGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072022
COc1cc(ccc1Cl)NC1CCc2c1cc(s2)Cl	PC-id_107621083	314.23	KZDMSESQEYAUNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072023
Clc1cnc(c(c1)Cl)CNCc1sc2c(n1)CCC2	MCULE-1809973369,EMOLS-id_318466909	314.233	OQHRZCHLQSCORP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072024
Clc1cncc(c1CNCc1sc2c(n1)CCC2)Cl	MCULE-8348944996,EMOLS-id_318588601	314.233	NSQUBYLQMCUOMU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072025
BrC1CCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_80660479	314.241	JPLWKBSUKOWWHC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-072026
BrC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_315535153,PC-id_80662475	314.241	IMYNUIODJIZWPH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-072027
BrC1C(NC(=O)c2sc3c(CCC3)c2)CCC1	PC-id_80661946	314.241	JZARLCPSJQIIRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072028
BrC(C1CC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_114315754	314.241	HEXHSYPUOUDDOQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-072029
BrCC1(CCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_315974441,PC-id_116366397	314.241	KTWFUWOKUURBGM-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-072030
BrCC1CCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_80666748	314.241	ASASKSDDDCYJBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072031
BrCC1(CNC(=O)c2sc3c(c2)CCC3)CC1	PC-id_115456200,EMOLS-id_314373490	314.241	QSQLJLXGWLKZLL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-072032
BrCC1N(CCC1)C(=O)c1sc2c(CCC2)c1	PC-id_80677693	314.241	LBNXNCFHKCFJSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072033
BrCCN(C1CC1)C(=O)c1sc2c(CCC2)c1	EMOLS-id_314366116,PC-id_80677653	314.241	YZIJXCLGOARPFV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-072034
c1nc2c([nH]1)C(=O)N(C2=O)CCCN1C(=O)c2c(C1=O)nc[nH]2	PC-id_137641472	314.256	DJBKYHVLYMCFQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072035
CC(CN1C(=O)c2c(C1=O)nc[nH]2)N1C(=O)c2c(C1=O)nc[nH]2	PC-id_137636854	314.256	PWCMTEMVAGPHJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072036
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cc(on2)C)n1	EMOLS-id_1359761,CHEMBL1393459,ZINC22_303783,TIMTEC248781,PC-id_798544,CoCoCo_225011,ChEMBL-DNDi_CHEMBL1393459,BAS-01939688,MCULE-7251957996	314.263	JTIDMENQIVFBHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072037
CCc1c(onc1C(F)(F)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_318449332	314.263	LBMGBEGPMCUCDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072038
CCc1c(onc1C(F)(F)F)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318532210	314.263	GZOOFQKVCSZOIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072039
CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccon1	ZINC22_1875276242	314.263	ONKFGWNIXMKXQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072040
O=C(N1CCn2c1ncc2)NC(C(F)(F)F)c1ccc(o1)C	EMOLS-id_319492732	314.263	AXMUUIMOXBAGTH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072041
Brc1cscc1C(c1sc2c(c1)CCC2)N	PC-id_105010507	314.264	BMRFTYUZFCHKHJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072042
Brc1c(scc1)C(N)c1sc2c(CCC2)c1	PC-id_80535156	314.264	PDSSOBLSCIORBM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072043
Brc1sc(C(N)c2sc3c(CCC3)c2)cc1	PC-id_61102622	314.264	SLVOHYFWAAZUGY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072044
CC1CC(c2n1ncn2)NC(=O)c1ncn(c1)CC(F)(F)F	EMOLS-id_319585732	314.266	IBRNRCMDXKMIPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072045
CC(c1nnc([nH]1)C(F)(F)F)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319145064	314.266	JRMZVOJLOVOGHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072046
CC(c1nnc([nH]1)C(F)(F)F)NC(=O)c1cnc2n1CCC2	EMOLS-id_319866833,MCULE-3644172013	314.266	RFYNKUNTRHRBSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072047
CC(c1nnc([nH]1)C(F)(F)F)NC(=O)c1cnn2c1CCC2	MCULE-9715540547,EMOLS-id_320265893	314.266	BWYWGMOCIXUDAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072048
CC(c1nnc([nH]1)C(F)(F)F)NC(=O)c1nn2c(c1)CCC2	MCULE-2626894773,EMOLS-id_320121054	314.266	CGXOACWWPKGUNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072049
O=C(c1cn2c(n1)CCC2)NCC(C(F)(F)F)n1cncn1	EMOLS-id_316630168	314.266	AJGAXQPVLFLVRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072050
O=C(C1NCc2c1c[nH]n2)NCc1cc(nn1C)C(F)(F)F	EMOLS-id_319003370	314.266	PVVOJMVMNQDFIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072051
O=C(C1NCc2c1c[nH]n2)NCc1nn(c(c1)C(F)(F)F)C	MCULE-3395974183,EMOLS-id_320269748	314.266	LATUHRBTULCYFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072052
CC1CCc2c1c(O)nn2Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_331021037,MCULE-5199299331	314.278	LPVZLICLDRJPRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072053
CC1CCc2c1c(O)nn2Cc1cccc(c1F)C(F)(F)F	EMOLS-id_331021294,MCULE-3562133315	314.278	YROAXSTXZVBCCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072054
CC1CCc2c1c(O)nn2Cc1cc(ccc1F)C(F)(F)F	EMOLS-id_331022062,MCULE-7314771238	314.278	VUUQIJDSVVXVLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072055
CC1CCc2c1c(O)nn2Cc1ccc(c(F)c1)C(F)(F)F	EMOLS-id_331021293,MCULE-3311051905	314.278	QMGVKRVZSXLDGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072056
CC1CCc2c1c(O)nn2Cc1ccc(F)cc1C(F)(F)F	MCULE-4026941030,EMOLS-id_331019502	314.278	KKXQDNLTGCGENJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072057
CC1CCc2c1c(O)nn2Cc1ccc(F)c(c1)C(F)(F)F	MCULE-7936897867,EMOLS-id_331021550	314.278	VFLBSSNBSQPEKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072058
CC1CCc2c1c(O)nn2Cc1cc(F)ccc1C(F)(F)F	MCULE-6116838610,EMOLS-id_331019758	314.278	CGSCFUHVYNXFPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072059
CC1CCc2c1c(O)nn2Cc1cc(F)cc(c1)C(F)(F)F	MCULE-6175356497,EMOLS-id_331021806	314.278	JYTYWHYBPUNPJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072060
CC1CCc2c1c(O)nn2Cc1c(F)cccc1C(F)(F)F	EMOLS-id_331019246,MCULE-6669114539	314.278	ZXEYYOFFRAPPAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072061
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(O)c12	EMOLS-id_331002028,MCULE-4244524220	314.278	YYIRGPVLBOZMLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072062
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(O)c12	EMOLS-id_331005866,MCULE-8278316021	314.278	UITFLXULVYXSKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072063
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(O)c12	MCULE-4754883245,EMOLS-id_331002796	314.278	XALZBIMNQXCOAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072064
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(O)c12	MCULE-4660516506,EMOLS-id_331002027	314.278	LAYMQODBZHFKSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072065
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(O)c12	EMOLS-id_331002284,MCULE-2436776663	314.278	ZFXLMJCYZROYCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072066
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(O)c12	EMOLS-id_331004331,MCULE-2288766922	314.278	OQAPOYSUWMHHLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072067
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(O)c12	EMOLS-id_331004587,MCULE-8953090493	314.278	DHWZFZHECAOTGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072068
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(O)c12	MCULE-9775798988,EMOLS-id_331002540	314.278	CVKRAHGXUKWLKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072069
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(O)c12	EMOLS-id_331004075,MCULE-9889331756	314.278	CAURSLCRVODVDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072070
Fc1cc(Nc2sc3c(n2)C(CC3)C(=O)O)c(c(c1)F)F	PC-id_104288614	314.283	ZLPCUVTXVWQTKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072071
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1F)F)F	PC-id_104287529	314.283	LJURBGGRJLIQHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072072
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)c(cc1F)F	PC-id_104288605	314.283	HEBHLQPELNUWTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072073
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)c(c(c1)F)F	PC-id_104288606	314.283	CYPDUVGKVZURSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072074
OC(=O)C1CCc2c1nc(s2)Nc1c(F)cc(cc1F)F	PC-id_104288987	314.283	RPVXAVQZOYSSBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072075
S1Cc2c(noc2NC(=O)c2c(cccc2)C(F)(F)F)C1	PC-id_49720082	314.283	CIEOOCLBDOGBDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072076
S1Cc2c(noc2NC(=O)c2cc(ccc2)C(F)(F)F)C1	PC-id_49720083	314.283	GOVXZVGWPGNPFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072077
S1Cc2c(noc2NC(=O)c2ccc(cc2)C(F)(F)F)C1	PC-id_49720084	314.283	YLVJHHDYBIZTLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072078
c1(nnc2SCCn12)NC(=O)c1ccc(cc1)C(F)(F)F	ChEMBL-DNDi_CHEMBLF2079-0080,MCULE-5776816426,PC-id_22582964,ZINC22_21110722,EMOLS-id_16349431,CoCoCo_2590507	314.286	ZOTAMFVJRJWDAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072079
c1(nnc2SCCn12)NC(=O)c1cccc(c1)C(F)(F)F	EMOLS-id_16349429,CoCoCo_2590506,PC-id_22582963,ZINC22_21110719,MCULE-4774086028,ChEMBL-DNDi_CHEMBLF2079-0079	314.286	ZZRYDPQPQAHCHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072080
c1(nnc2SCCn12)NC(=O)c1ccccc1C(F)(F)F	ZINC22_8600554,ChEMBL-DNDi_CHEMBLF2079-0078,EMOLS-id_16349427,CHEMBL1318532,PC-id_16031373,MCULE-7997968632,CoCoCo_2590505	314.286	QZMISXTVYJRUNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072081
COC(=O)c1c(NC(=O)N2CCC(C2)(F)F)nc2n1CCC2	EMOLS-id_319630722	314.288	XMBUSFZURQWFMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072082
O=CNOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_118604673,SCHEMBL17369581	314.293	PSYIIFXBVGKJDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072083
O=C(c1ccccc1C(=O)O)NNC(=O)c1[nH]nc2c1CCC2	PC-id_16457131,CoCoCo_6380626,CoCoCo_6380625	314.296	ZSRAKZCUZBGBJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072084
O(CC(=O)NN=C1CCn2c1ccc2)c1c([N+](=O)[O-])cccc1	EMOLS-id_300701614,PC-id_71899688,MCULE-7987061995	314.296	XKTIQLQQRDAYJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072085
O(CC(=O)N/N=C
/CCn2c1ccc2)c1c([N+](=O)[O-])cccc1	PC-id_75362251	314.296	XKTIQLQQRDAYJI-WJDWOHSUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072086
O=C(c1ccc(c(c1)C(F)(F)F)F)c1sc2c(c1)CCC2	PC-id_107291344	314.298	LRABSWMRZZLAIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072087
O=C(c1sc2c(c1)CCC2)c1ccc(c(c1)F)C(F)(F)F	PC-id_107291221	314.298	SFZINPBAADVNAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072088
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)NC(=O)C	PC-id_135635979,MCULE-9881934309,EMOLS-id_17106282,STOCK6S-51024	314.299	SUGKGNFTALIJMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072089
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	PC-id_135897673,ZINC22_13721597	314.299	SUGKGNFTALIJMH-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072090
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	ZINC22_13721599,PC-id_135897674	314.299	SUGKGNFTALIJMH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-072091
Cc1cc(nn1CCNC1CC(n2c1ncn2)C)C(F)(F)F	MCULE-8071238579,EMOLS-id_318490225	314.309	UWALGWLITLZISG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072092
CC(c1nn2c(c1)CCC2)NCC(C(F)(F)F)n1cncn1	MCULE-7614510236,EMOLS-id_316456062	314.309	AQLTUHQBDZLGCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072093
Cn1nc(cc1CNC(c1nnc2n1CCC2)C)C(F)(F)F	EMOLS-id_318135978,MCULE-4472965119	314.309	CVJSZYLZRFWPKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072094
O=S(=O)(NCc1nnc2n1CCC2)c1cc(F)cc(F)c1	ZINC22_48300157,PC-id_51074960,MCULE-2977549389,EMOLS-id_31867794	314.311	DPVVMLGGJOJNDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072095
C=CC(=O)Nc1cc(NC(=O)c2n[nH]c3c2CCC3)ccc1F	MCULE-2519780705,ZINC22_490581921,PC-id_136513262	314.314	NCUVLBDJOFHDAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072096
Fc1ccc(C(=O)Nc2nn(C(=O)C3CC3)c3c2CNC3)cc1	PC-id_71477255	314.314	ONURZGVPYDSARW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-072097
C[C@@H](Nc1nc(c2ccc(F)cc2)no1)c1nnc2n1CCC2	ZINC22_623832036	314.318	HGGUFAVHOKJVIP-SECBINFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072098
C[C@H](Nc1nc(c2ccc(F)cc2)no1)c1nnc2n1CCC2	ZINC22_623832037	314.318	HGGUFAVHOKJVIP-VIFPVBQESA-N	00000010100000110001100010000000000000000000000000000000	25-01-072099
Fc1ccc(cc1)c1noc(n1)NC(c1nnc2n1CCC2)C	MCULE-3531304687,EMOLS-id_316940062	314.318	HGGUFAVHOKJVIP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072100
c1(NC(=O)c2nccnc2C(=O)O)sc2c(CCC2)c1C#N	MCULE-3422325079,ZINC22_32071536,EMOLS-id_27444188,STOCK6S-76002,PC-id_39310484	314.319	LFXWKIRHNQPVBD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072101
O=C(c1ccc(nn1)n1cncc1)Nc1onc2c1CSC2	PC-id_121114146	314.322	HMPXESCSJBQJFU-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-072102
S1Cc2c(noc2NC(=O)c2cc(n3nnnc3)ccc2)C1	PC-id_45505341	314.322	JUJORXFMJFPKRI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072103
OC(c1ccccc1OC(F)(F)F)c1sc2c(c1)CCC2	PC-id_115792444	314.323	COKGZDRCVQFKSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072104
OC(c1sc2c(c1)CCC2)c1cccc(c1)OC(F)(F)F	PC-id_115796306	314.323	PVGMVGJCFXYDNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072105
NC(c1sc2c(n1)CCC2)c1cccc(c1)OC(F)(F)F	PC-id_107104923	314.326	IKIYRLRINSDPSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072106
s1c2CCCc2nc1C(N)c1ccc(OC(F)(F)F)cc1	PC-id_61332667	314.326	ZCNOUPKGAYQUQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072107
s1c2CCCc2nc1C(N)c1c(OC(F)(F)F)cccc1	PC-id_61332468	314.326	MZEHZHWRTBIKNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072108
Cc1cc(NCc2sc3c(n2)CCC3)nc(n1)C(F)(F)F	EMOLS-id_318410997,MCULE-9088918405	314.329	GQFUZBHGZQAVRY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072109
Cc1nc(NCc2sc3c(n2)CCC3)cc(n1)C(F)(F)F	MCULE-3523440802,EMOLS-id_318527248	314.329	QMEGQXKFDDLCBO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072110
Cc1nc(NCc2sc3c(n2)CCC3)nc(c1)C(F)(F)F	EMOLS-id_318782977,MCULE-9388252384	314.329	JOOPMNUSVQAUNV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072111
Cc1nnc(c(c1)C(F)(F)F)NCc1sc2c(n1)CCC2	MCULE-1037200603,EMOLS-id_318741271	314.329	NJVSTJIQGWCFPC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072112
FC(c1ccc(cn1)NCCc1cn2c(n1)SCC2)(F)F	EMOLS-id_318564719,MCULE-2305726439	314.329	JUFAQKPBJOHWBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072113
FC(c1cccc(n1)NCCc1nc2n(c1)CCS2)(F)F	EMOLS-id_318237585,MCULE-1416103714	314.329	MUCYVKKWIRZQAH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072114
FC(c1ccc(nc1)NCCc1cn2c(n1)SCC2)(F)F	MCULE-7032946233,EMOLS-id_318344178	314.329	AULFQACOWNKLDP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072115
FC(c1cccnc1NCCc1cn2c(n1)SCC2)(F)F	MCULE-8849574613,EMOLS-id_318040388	314.329	YCOMLMFEVFNBDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072116
FC(c1ccc(nn1)NCCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318602153,MCULE-6341310429	314.329	PZAUFQJLGQVYHH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072117
FC(c1ccnc(c1)NCCc1cn2c(n1)SCC2)(F)F	MCULE-5195584351,EMOLS-id_318258893	314.329	ACZULNDPNGCKEZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072118
FC(c1ccnc(n1)NCCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318620634,MCULE-7914502502	314.329	JJJYWYGIBNHKCF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072119
FC(c1nccc(c1)NCCc1cn2c(n1)SCC2)(F)F	EMOLS-id_318029097,MCULE-7817701055	314.329	UQUSAFDTCVWJNO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072120
FC(c1ncccc1NCCc1cn2c(n1)SCC2)(F)F	MCULE-2215476421,EMOLS-id_318601440	314.329	ODIRWLNSBORZIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072121
CN(Cc1nnc2n1CCC2)C(=O)C(F)(F)C1(O)CCCC1	MCULE-3230451823,ZINC22_785783993,EMOLS-id_320315366	314.331	SLOLYEUMUIEPQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072122
FC(CN1CCOCC1C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_319505368	314.331	KYJQNGOMLNVGFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072123
O=C(NC1CCn2c1ncc2)CC(N1CCOCC1)C(F)F	EMOLS-id_318862316	314.331	GBRGBMCRIKRALK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072124
N#Cc1c(NC(=O)C=Cc2cccc(c2)F)nc2n1CCS2	MCULE-1692535811,PC-id_72132814,EMOLS-id_42895013	314.337	MLLFDOMBRUBIGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072125
N#Cc1c(NC(=O)/C=Cc2cccc(c2)F)nc2n1CCS2	PC-id_97359297	314.337	MLLFDOMBRUBIGN-PLNGDYQASA-N	00000010100000110001000010000000000000000000000000000000	25-01-072126
N#Cc1c(NC(=O)/C=C/c2cccc(F)c2)nc2n1CCS2	ZINC22_72287815,PC-id_75533529	314.337	MLLFDOMBRUBIGN-SNAWJCMRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072127
[O-]/C(=c
/n2[n+](c(c1)C(=O)c1ccccc1)ccc2)/c1ccccc1	PC-id_21784633	314.337	HAMQIDJXMVXDPL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072128
s1c2CCCc2nc1NS(=O)(=O)c1oc(cc1)C(=O)O	PC-id_61508834	314.338	JBWXGIYZBOROSG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072129
c12c(C(=O)NN=Cc3cccc(OC)c3OC)n[nH]c1CCC2	PC-id_3951783,MCULE-4797716510	314.339	BYULPOSZIYASCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072130
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1ccoc1	EMOLS-id_48476277,PC-id_91917558,MCULE-5868558236	314.339	AYXUUVQCCWELBB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072131
c12CN(Cc1nn(C)c2C(=O)NC)C(=O)OCc1ccccc1	MCULE-3811092723,EMOLS-id_324352623	314.339	OLPGPQHOZWALMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072132
c12CN(Cc1nn(CC)c2C=NO)C(=O)OCc1ccccc1	MCULE-2332240833,EMOLS-id_324357486	314.339	CRZHZHRPHULBJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072133
C1Cc2c(C(=O)NN=Cc3ccc(OC)cc3OC)n[nH]c2C1	PC-id_2043902,MCULE-1020652643	314.339	PCMDJYFRWLSGKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072134
C1Cc2c(C(=O)NN=Cc3ccc(OC)c(OC)c3)n[nH]c2C1	MCULE-7013121227,PC-id_2040806	314.339	BBWLQXLARIDEMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072135
C1Cc2c(C(=O)NN=Cc3ccc(O)c(OCC)c3)n[nH]c2C1	MCULE-2779095590	314.339	VCLGECJSEOCLEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072136
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)C(=O)c1ccco1	EMOLS-id_321294551,MCULE-8493840294	314.339	JMHWYPFIDPISFK-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-072137
c1(C(=O)N2CCN(CC2)C(=O)c2ccco2)c2CCCc2n[nH]1	PC-id_71684313,EMOLS-id_49402703,EMOLS-id_44753014,MCULE-3627518663,ZINC22_49679110,STOCK7S-36335	314.339	NFAXQLNFKICGKT-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-072138
c1(C(=O)N2CCOCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316322621,MCULE-2001347432	314.339	NVLDHSRLTANXRO-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-072139
c1(C(=O)Nc2c(OC)ccc(c2)NC(=O)C)c2CCCc2[nH]n1	MCULE-6406029148,EMOLS-id_323257011	314.339	HGGXGZLKIQHNOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072140
c1(C(=O)NN=Cc2cccc(OCC)c2O)c2CCCc2[nH]n1	PD145108,MCULE-5046441074,EMOLS-id_300248679	314.339	IGRPXAZQJGUXPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072141
c1(C(=O)NN=Cc2cc(OC)ccc2OC)c2CCCc2[nH]n1	PC-id_5400047,MCULE-4674557443,EMOLS-id_299999908	314.339	XVTSRGFWSCGPBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072142
c1(C(=O)NN=C(C)c2ccc(c(OC)c2)O)c2CCCc2[nH]n1	MCULE-1208581261,EMOLS-id_300267359	314.339	MCHZRUVASBOJGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072143
CC1CC(c2n1ncn2)NC(=O)c1ccc(cc1)C1(O)COC1	EMOLS-id_320213347,MCULE-9182742248	314.339	VCWLMOYRNJVRAD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-072144
Cc1ccc(c(c1)O)C(=O)NCCC(=O)N1CCn2c1ncc2	EMOLS-id_319915006,MCULE-1408399166	314.339	LDTFGRHCHLTLOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072145
CC(C)(O)C#Cc1ccc(C(=O)NCc2nnc3n2CCC3)o1	MCULE-7122123152,EMOLS-id_289970409,ZINC22_952967314	314.339	ZWTZQDGDGXFFGJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072146
CCC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)OC	PC-id_141417107	314.339	OPXDLWIEYUIYQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072147
C/C(=N/NC(=O)c1n[nH]c2c1CCC2)/c1cc(c(cc1)O)OC	CoCoCo_1768221,PC-id_136702153,CoCoCo_1768219	314.339	MCHZRUVASBOJGU-MFOYZWKCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072148
CCOc1c(ccc(c1)/C=N/NC(=O)c1n[nH]c2c1CCC2)O	PC-id_135685059	314.339	VCLGECJSEOCLEX-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072149
CCOc1c(ccc(c1)/C=NNC(=O)c1n[nH]c2c1CCC2)O	PC-id_136861770	314.339	VCLGECJSEOCLEX-MFOYZWKCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072150
CCOc1cccc(c1O)/C=NNC(=O)c1[nH]nc2c1CCC2	PC-id_136744961,CoCoCo_1724425,CoCoCo_1724427	314.339	IGRPXAZQJGUXPW-MFOYZWKCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072151
CCOc1cccc(c1O)/C=N/NC(=O)c1n[nH]c2c1CCC2	TIMTEC213987,STOCK3S-36770,PC-id_135642338,SPECS-id_AT-225/NB44677,CoCoCo_1724424,EMOLS-id_26192909,CoCoCo_1724426	314.339	IGRPXAZQJGUXPW-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072152
CCOC1=CC(=CNNC(=O)c2n[nH]c3c2CCC3)C=CC1=O	PC-id_90482841	314.339	NABXCUBJUKVUDY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-072153
CN(C(c1ccccc1)CC(=O)N)C(=O)c1cc2n(n1)CCO2	EMOLS-id_318143868	314.339	HFMNPVRMZOTVBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072154
CN(C(=O)c1nn(c2c1CCC2)C)Cc1ccccc1[N+](=O)[O-]	PC-id_140039407	314.339	CDRJUVLGLJPOCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072155
COc1ccc(cc1/C=NNC(=O)c1[nH]nc2c1CCC2)OC	CoCoCo_1724443,CoCoCo_1724441	314.339	XVTSRGFWSCGPBB-MFOYZWKCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072156
COc1ccc(cc1/C=N/NC(=O)c1n[nH]c2c1CCC2)OC	CoCoCo_1724440,CoCoCo_1724442,TIMTEC559317,STOCK3S-30479,SPECS-id_AT-225/NB40877,EMOLS-id_702496,PC-id_6863146	314.339	XVTSRGFWSCGPBB-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072157
COc1cc(ccc1O)/C(=N/NC(=O)c1n[nH]c2c1CCC2)/C	PC-id_135641894,EMOLS-id_26178525,CoCoCo_1768220,STOCK3S-41527,SCHEMBL17899809,CoCoCo_1768218	314.339	MCHZRUVASBOJGU-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072158
COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCC3)ccc1OC	TIMTEC69991,PC-id_6890823	314.339	BBWLQXLARIDEMO-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072159
COc1c(/C=N/NC(=O)c2n[nH]c3c2CCC3)cccc1OC	SPECS-id_AT-225/NB41709,PC-id_9641627	314.339	BYULPOSZIYASCR-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072160
COc1cc(OC)ccc1/C=N/NC(=O)c1n[nH]c2c1CCC2	SPECS-id_AT-225/NB41646,PC-id_6891071	314.339	PCMDJYFRWLSGKQ-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072161
COC(=O)c1c(NC(=O)N(c2ccccc2)C)nc2n1CCC2	EMOLS-id_319021994	314.339	INXANUBUIDCCJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072162
COC(=O)c1c(NC(=O)NCc2ccccc2)nc2n1CCC2	EMOLS-id_319113928	314.339	ZNJUZNDRXGOZBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072163
OC1CC(C1)C(=O)N1Cc2[nH]nc(COc3cccnc3)c2C1	ZINC22_1565545843,EMOLS-id_313728465	314.339	MURZPSNPQKZWHP-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-072164
O=C(C1NCc2c1c[nH]n2)Nc1ccc(cc1)OC1COCC1	EMOLS-id_318838263	314.339	JYDRWGIQTBZPGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072165
O=C(c1nn2c(c1)CC(C2)Oc1ccncc1)N1CCOCC1	MCULE-9561673267	314.339	NVLDHSRLTANXRO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-072166
O=C(NC1CC(n2c1ncc2)C)NCc1ccc(cc1)C(=O)O	EMOLS-id_72737711,PC-id_122016624,MCULE-2335032309	314.339	XOYWWCNVKLSOIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072167
O=C(N[C@H](C(=O)N1CCn2c1ncc2)C)OCc1ccccc1	EMOLS-id_316587712	314.339	OBNVMNOLHPMNKG-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072168
O=C(NN/C(=C
/C=C(OC)C(=O)C=C1)/C)c1n[nH]c2CCCc12	PC-id_5805686	314.339	GDQWRDNXZHAALX-MDZDMXLPSA-N	00000010100011000001000010000000000000000000000000000000	25-01-072169
O=C(NNC(=C1C=C(OC)C(=O)C=C1)C)c1n[nH]c2CCCc12	PC-id_6740217	314.339	GDQWRDNXZHAALX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-072170
O=C(NN/C=C
/C(=O)C(=CC=C1)OCC)c1n[nH]c2CCCc12	PC-id_5400042	314.339	RJQXDRYJZIMMJQ-MDZDMXLPSA-N	00000010100011000001000010000000000000000000000000000000	25-01-072171
O=C(NN/C=C/1C(=O)C(=CC=C1)OCC)c1n[nH]c2CCCc12	PC-id_6537552	314.339	RJQXDRYJZIMMJQ-KTKRTIGZSA-N	00000010100011000001000010000000000000000000000000000000	25-01-072172
O=C(NNC=C1C(=O)C(=CC=C1)OCC)c1n[nH]c2CCCc12	PC-id_6740978	314.339	RJQXDRYJZIMMJQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-072173
O=C(NNC(=C)c1cc(OC)c(O)cc1)c1n[nH]c2CCCc12	PC-id_3645936	314.339	YSFSCOKNIBRTSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072174
OC(=O)CC(c1ccccn1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319167378	314.339	GWKXZNDVRFETFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072175
s1c2CCCc2nc1NS(=O)(=O)c1[nH]ncc1C(=O)O	PC-id_61509065	314.341	DTFPTSJJEHDFLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072176
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1nccnc1N	EMOLS-id_43268171,BDE-33352397,MCULE-4383452383,PC-id_110119177	314.342	IPKDBVGETIYKLL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072177
C1Cc2c(C1)[nH]nc2C(=O)NC1CC(C1)c1cc(=O)nc([nH]1)N	PC-id_91794978	314.342	NAUARRQTFQKXFT-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-072178
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)NC)Cc12	EMOLS-id_316319038,MCULE-4954163157	314.342	KWGGLGMFCWQVPG-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-072179
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2cnccn2)n1	MCULE-8113109092	314.342	DOJRGBZKSJZEGW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072180
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2cnccn2)n1	EMOLS-id_316326205,MCULE-8024795225	314.342	DOJRGBZKSJZEGW-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-072181
c1(C(=O)N[C@H]2C[C@H](C2)c2cc(=O)[nH]c(N)n2)c2CCCc2[nH]n1	MCULE-6517875343,ZINC22_253535267,EMOLS-id_55703544	314.342	NAUARRQTFQKXFT-OCAPTIKFSA-N	00001010100000100001100010000000000000000000000000000000	25-01-072182
Cc1c2n(CCO2)nc1C(=O)N1CCN(CC1)c1ncccn1	PC-id_91959989	314.342	RYNUEWGEOJAECA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072183
CC1CN(CCN1c1cnccn1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_320044883,MCULE-4630420115	314.342	QAJLIHCCJLOYPW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072184
CCN(c1ccc(cn1)NC(=O)N1CCn2c1ncc2)C(=O)C	MCULE-3034263113,EMOLS-id_318646993	314.342	XWUIIVZZXUIEKJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072185
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccccn1	PC-id_134796917	314.342	LLTWJUHIUALUIG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072186
Cn1ncc(c1)N1CC(CC1=O)NC(=O)c1cnc2n1CCC2	MCULE-8792584468,EMOLS-id_320212621	314.342	HWJGNMLHYNBSMW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072187
Cn1ncc(c1)N1CC(CC1=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_319374327	314.342	GMBVKSVFFCFPPW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072188
Nc1nccnc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1	ZINC22_257245420	314.342	IPKDBVGETIYKLL-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072189
Nc1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1	ZINC22_257245421	314.342	IPKDBVGETIYKLL-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-072190
O=C1CC(CN1c1cnn(c1)C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_319225962	314.342	CDBQDQUBLYCQKN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072191
O=C1CC(CN1c1cnn(c1)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319892913,MCULE-2544604835	314.342	JLFKPJYXKZQUCM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072192
O=C(c1nn(c2c1CN(C2)C(=O)c1cncn1C)C)NC1CC1	EMOLS-id_207863092,MCULE-8507537250	314.342	NYWXUENMIHCNFA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-072193
O=C(c1cc2c(s1)CCS2)c1ccc(cc1)C(F)(F)F	PC-id_141350237	314.346	QNSSQUVAKUNQLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072194
CCc1nn2c(n1)C(C(=N2)C)(N)Nc1c(C)[nH]n2c1nc(n2)C	SCHEMBL7667258,PC-id_70157687	314.349	FSFRSIGZLUUDGW-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-072195
CCc1nnc2n1[nH]c(c2NC1(N)C(=Nn2c1nnc2C)C)C	SCHEMBL7669202,PC-id_70158197	314.349	ZKXRIDWCJJZJKO-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-072196
O=C(c1occ2c1CCC2)NC1CCN(C1)c1ccccc1F	EMOLS-id_318502403	314.354	LZRWEPIMCBIQOF-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-072197
COC(=O)C1(Cc2c(C1=O)scc2)CC(=O)c1ccccc1	PC-id_134842015	314.356	OBEAZFFRYIJYHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072198
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)c1ccccc1F	EMOLS-id_321297878,MCULE-2019944145	314.357	UXLLUPZLBXKIRN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072199
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)c1ccc(F)cc1	MCULE-7915299083,EMOLS-id_321298133	314.357	PWKUVZLVSVJCCN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072200
c1(C(=O)N2CCN(CC2)c2ccc(cc2)F)c2CCCc2n[nH]1	EMOLS-id_49403526,EMOLS-id_44756190,STOCK7S-38052,ZINC22_49679064,PC-id_71684312,MCULE-7055737138	314.357	APFUZTZJMNBLML-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072201
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N(CCO)CCO	MCULE-2117585210,STOCK6S-06119,EMOLS-id_4733818,PC-id_8029810,ZINC22_6661421	314.357	FSQZACNGWUQRIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072202
Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)O)C	SCHEMBL18748718	314.357	WAYSLNVKIMCJDC-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072203
Fc1cccc(c1)C1(CC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318689316	314.357	HWNDWPVVFXEINL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072204
Fc1cccc(c1)C1(CCC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318436814	314.357	UJTPSSQXBOJFAM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-072205
Fc1ccc(cc1)C1CCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318213098	314.357	YTMCOUUYAMPTDC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-072206
Fc1cccc(c1)C1CNCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_120737632,MCULE-8627448613,EMOLS-id_302726825	314.357	ZLTZWRMCFNWOBY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072207
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318803842	314.357	UACKFQMLNPLFGN-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072208
Fc1cccc(c1)[C@@H]1CN(C[C@H]1N)C(=O)c1cnn2c1CCC2	EMOLS-id_102101876	314.357	ROVAHUADTANALL-LSDHHAIUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072209
Fc1ccc(cc1)CN1Cc2c(C1)c(n[nH]2)C(=O)N1CCCC1	PC-id_97389039	314.357	IKCLOTBSWBYQRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072210
Fc1ccc(cc1)CN(C(=O)C1NCc2c1c[nH]n2)CC1CC1	EMOLS-id_319033345	314.357	YLEFVXNJOBAHHK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-072211
Fc1ccc(cc1)CN(C(=O)NC1CCn2c1ncc2)C1CC1	MCULE-3350828937,EMOLS-id_316919668	314.357	XYUCUKUWRAILKA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-072212
Fc1ccc(cc1)N1CCC(C1=O)NC1CC(n2c1ncc2)C	EMOLS-id_318173275	314.357	PTJOVLFSVMLULF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072213
Fc1cc(ccc1N1CCCC1=O)NCc1cnc2n1CCC2	EMOLS-id_318031265,MCULE-4225020744	314.357	CNNQPMQXLDAKFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072214
Fc1ccc(cc1)N1CCC(C1=O)NCc1cnc2n1CCC2	EMOLS-id_318393857,MCULE-6739816038	314.357	PDULHLBJCWGRHR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072215
Fc1ccccc1N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_110313159,PC-id_110388858,MCULE-8878127946	314.357	QRLDQQPOIYMLRP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072216
Fc1ccc(cc1NCc1cnc2n1CCC2)N1CCCC1=O	EMOLS-id_318437235,MCULE-7048583522	314.357	VPXUCFIIUPLLQU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072217
Fc1cccc(c1NC(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_318511971	314.357	CEVVVAPEYFGIFK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072218
Fc1cccc(c1NC(=O)c1cnn2c1CCC2)N1CCCC1	EMOLS-id_318506908	314.357	OVLWMHOLRJFTQO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072219
N[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1ccccc1F	EMOLS-id_102123151,MCULE-1596375668,ZINC22_333334439	314.357	WUNOMJNELOQFGL-DZGCQCFKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072220
O=C1C(CCCN1c1ccccc1F)NC1CCn2c1ncc2	EMOLS-id_318229033	314.357	MLYCICWLOYOAQB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072221
O=C1CC(CN1c1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_318117778	314.357	DKZGIVNUKLLTAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072222
O=C1C(CCN1c1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_318220316	314.357	NACHXYYBVJRRBB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072223
O=C1C(CCN1c1ccccc1F)NCc1cnc2n1CCC2	MCULE-9375854691,EMOLS-id_318287705	314.357	JKGFPTXONHIIIP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072224
O=C1CC(CN1c1ccccc1F)NCc1cnc2n1CCC2	MCULE-9879184561,EMOLS-id_318138528	314.357	CEOQGWTVJMQIRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072225
O=C1CCCN1c1ccc(c(c1)NC1CC(n2c1ncc2)C)F	EMOLS-id_318517808	314.357	HBSHCIQOYQAIBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072226
O=C(C1CC1c1ccc(cc1)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318548360	314.357	SITGTPVOSTXACU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072227
O=C(c1cc2n(n1)CCC2)Nc1c(F)cccc1N1CCCC1	EMOLS-id_318436339	314.357	YVEHGTWANYBHNN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072228
O=C(C1NCc2c1c[nH]n2)NCC1(CCC1)c1ccc(cc1)F	EMOLS-id_319116957	314.357	VBODUGCMOLWSML-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-072229
O=C(N[C@H]1CCn2ccnc12)N(Cc1ccc(F)cc1)C1CC1	ZINC22_1370326305	314.357	XYUCUKUWRAILKA-HNNXBMFYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-072230
O=C(N[C@@H]1CCn2ccnc12)N(Cc1ccc(F)cc1)C1CC1	ZINC22_1370326306	314.357	XYUCUKUWRAILKA-OAHLLOKOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-072231
CCOC(=O)C=Cc1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	SCHEMBL6628268,PC-id_88019667	314.359	WURRECYUWPRNSD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-072232
CCOC(=O)/C=Cc1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL6628259	314.359	WURRECYUWPRNSD-BHLOCZDVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-072233
CCOC(=O)/C=Cc1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	SCHEMBL6628265	314.359	WURRECYUWPRNSD-JVDPANSLSA-N	00000010110000000000000010000000000000000000000000000000	25-01-072234
N#CC1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C	PC-id_13486994,SCHEMBL11444501	314.359	SLLVQXJXKINQBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072235
N#CC1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)C	PC-id_23333088,SCHEMBL11444567	314.359	OPHCVAUARNGCBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072236
N#CC1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C	PC-id_70587176,SCHEMBL11443519	314.359	UGJFVHWRHFNTGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072237
N#CC1(CCn2c1ccc2S(=O)(=O)C)C(=O)c1ccccc1	SCHEMBL11451710,PC-id_70588639	314.359	IYARQQUFYQXWJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072238
s1c2CCCc2cc1C(=O)NN=Cc1ccc(cc1)C(=O)O	PC-id_85015511	314.359	ZZIYXMMRUWCDPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072239
Cc1c2n(CCO2)nc1C(=O)N1CCN(CC1)S(=O)(=O)C	PC-id_91959899	314.361	DAWYHUIAAIGZFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072240
CCNS(=O)(=O)C1CCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99604201	314.361	FDXVZNDUDCNTCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072241
CCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959810	314.361	AWYZKGCTJDQEKD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072242
CN1CCOCC1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389639	314.361	MQFCUZNKIJNYTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072243
CO[C@H]1C[C@H](C(=O)N2CCn3nccc23)N(S(=O)(=O)C)C1	MCULE-8966585542,EMOLS-id_316144114,ZINC22_375589086	314.361	ZWVQOEZGYUNROA-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072244
O=C(N1CCOCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240960	314.361	GPDUNMAWFFVBPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072245
c1csc(n1)Oc1ccc(cc1)OCc1nnc2n1CCC2	MCULE-5000698083,EMOLS-id_319913715	314.362	GAYJERMMFFLXSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072246
c1(NC(=O)c2ccc(=O)n(CC)n2)sc2c(CCC2)c1C#N	EMOLS-id_322820646,MCULE-1522030429	314.362	OVIAQCPDDMFIIY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072247
c1(NC(=O)c2cc(=O)[nH]c(CC)n2)sc2c(CCC2)c1C#N	MCULE-5653552403,EMOLS-id_322841776	314.362	QSJBDNLERAZFHQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072248
c1(NC(=O)c2cnc([nH]c2=O)CC)sc2c(CCC2)c1C#N	EMOLS-id_322834619,MCULE-3739837092	314.362	JZRDKFXSCSXNBL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072249
s1c2CCCc2cc1C(=O)NN=C(c1c(OC)cccc1)C	PC-id_85015485	314.402	MWQFHGUBHYEBDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072605
c1(NC(=O)COc2cccnc2N)sc2c(CCC2)c1C#N	EMOLS-id_321790002,MCULE-7924304247	314.362	UIFAMAHOJSWNAE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-072250
Cc1onc(c2cccs2)c1C(=O)N[C@H]1CCn2cncc12	ZINC22_1337297619	314.362	YXLPOJSVHFTHRF-JTQLQIEISA-N	00000010100100000001100010000000000000000000000000000000	25-01-072251
Cc1onc(c2cccs2)c1C(=O)N[C@@H]1CCn2cncc12	ZINC22_1337297622	314.362	YXLPOJSVHFTHRF-SNVBAGLBSA-N	00000010100100000001100010000000000000000000000000000000	25-01-072252
N#Cc1c(NC(=O)Cn2cc(N)ccc2=O)sc2c1CCC2	PC-id_92941710	314.362	MZTLBYJKLMGJJX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-072253
O=C(c1c(C)onc1c1cccs1)NC1CCn2c1cnc2	EMOLS-id_317048848,MCULE-5026007648	314.362	YXLPOJSVHFTHRF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-072254
O=C(c1cnc(s1)c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319964417,MCULE-7879507960	314.362	NKYUAEPIDCCIEI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-072255
O=C(c1cnc(s1)c1ccco1)NCc1n[nH]c2c1CCC2	MCULE-4005528765,EMOLS-id_320004454	314.362	OSYYPYFZJVTLTN-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-072256
O=C(c1csc(n1)c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319492801	314.362	PXXAUEAGPMDJTB-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-072257
O=C(c1csc(n1)c1ccco1)NCc1n[nH]c2c1CCC2	MCULE-1489352270,EMOLS-id_320325152	314.362	PCYVNQUYAPFXAR-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-072258
O=C(c1csc(n1)c1cocc1)NCc1cnc2n1CCC2	EMOLS-id_319648306	314.362	FTCIVLXMFMEAFJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-072259
O=C(c1csc(n1)c1cocc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319409960	314.362	ZESDYVPTFUDAFS-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-072260
c1(c[nH]nc1c1cccs1)C(=O)NCc1nnc2CCCn12	ZINC22_426589903,MCULE-4811220548,PC-id_119070226,EMOLS-id_82731085	314.366	CHTMLMJMICBAGI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-072261
c1(C(=O)NCc2nnc3CCCn23)[nH]nc(c2ccsc2)c1	MCULE-2685223583,ZINC22_222749686,EMOLS-id_55678091,PC-id_91786348	314.366	TVAMJYKOTCXJCA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-072262
Cc1ccc(o1)c1cnnc(n1)NCc1cn2c(n1)SCC2	CoCoCo_1275532,PC-id_42596269	314.366	VHTZRXIQGQHPKF-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-072263
Cn1ccc(n1)c1[nH]ncc1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319800054	314.366	APDFLFUADIESFE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072264
Cn1nc(Cn2cccc2)c2c1CN(C(=O)c1csnn1)C2	EMOLS-id_313736663,ZINC22_1565554875	314.366	IKHMFBTXPSUNJF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-072265
N#Cc1c(NC(=O)c2cc(C)nnc2CC)nc2n1CCS2	MCULE-6809655180,EMOLS-id_99554510	314.366	UQTDAXAIUKQLMH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072266
O=C(c1csc(n1)c1cnc[nH]1)NC1CC(n2c1ncc2)C	EMOLS-id_318981987	314.366	HWDZFMNHSZKKDZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072267
O=C(c1csc(n1)c1cnc[nH]1)Nc1n(C)nc2c1CCC2	EMOLS-id_320008989,MCULE-6566369729	314.366	NCVNNASUESQKRE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072268
O=C(c1csc(n1)c1cnc[nH]1)NCc1cnc2n1CCC2	EMOLS-id_319862175,MCULE-8543018832	314.366	CKSZLUQDPLVUPK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072269
O=C(c1sccc1n1nncc1)NCc1cnc2n1CCC2	EMOLS-id_319162256	314.366	CYGZLJUFRXSKIT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-072270
O=C(c1sccc1n1nncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319304090	314.366	DMCPTUKACPQVMD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-072271
c1(ccccc1F)CCC(=O)Nc1sc2CCCc2c1C#N	MCULE-7966955198,EMOLS-id_327957713	314.377	RTWFVGWLWIMYPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072272
c1(NC(=O)CCc2ccc(cc2)F)sc2c(CCC2)c1C#N	EMOLS-id_8867225,MCULE-3599986254,PC-id_19590869,TIMTEC134158,ZINC22_36613730	314.377	DVKQGMLXEAJDLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072273
C(=O)(Nc1sc2CCCc2c1C#N)CCc1cccc(F)c1	MCULE-6249545143,EMOLS-id_328080202	314.377	JNEJPPAWAVXZBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072274
S1C(C(=O)c2c(c(sc12)C(=O)OCC)C)C(=O)OCC	PC-id_11088326	314.377	VFZVZOQOWZABIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072275
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2C)OCC)n1	EMOLS-id_330984446,MCULE-4152295887	314.379	IOWFNEKQNFHBFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072276
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)OCCC)n1	EMOLS-id_330981631,MCULE-2805153049	314.379	NHXGBDCVAFMJKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072277
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)OC(C)C)n1	EMOLS-id_330981887,MCULE-5436975538	314.379	VQUNXEOLCNZHJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072278
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(C)c2C)OC)n1	EMOLS-id_330985214,MCULE-9071030320	314.379	YYLYAKZQOPIJRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072279
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(C)c2)OCC)n1	EMOLS-id_330982399,MCULE-5519536734	314.379	BCFYAUNGQPFEDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072280
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)c(c(C)c2)OC)n1	EMOLS-id_330982143,MCULE-4201698052	314.379	HUVXJNBMTWPXEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072281
c1(C(=O)O)c2C(C)CCc2n(Cc2c(C)cc(c(C)c2)OC)n1	EMOLS-id_330985470,MCULE-8262393920	314.379	ROOXHBKFTLWXAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072282
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1C)OCC	MCULE-8405425420,EMOLS-id_330967482	314.379	DJVISMOBKLLHCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072283
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)OC(C)C	MCULE-1520647880,EMOLS-id_330969018	314.379	QXBZIXDAGNDNTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072284
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)OCCC	MCULE-8416736526,EMOLS-id_330968762	314.379	GNZBZJDVYUDAEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072285
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(C)c1C)OC	MCULE-7738773214,EMOLS-id_330968250	314.379	PKZOYDHXUQPVRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072286
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(C)c1)OCC	EMOLS-id_330965435,MCULE-8212598769	314.379	HJDXBHOEUGILJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072287
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)c(c(C)c1)OC	EMOLS-id_330965179,MCULE-4537185956	314.379	YAHGFPHSOAHRFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072288
c1(C(=O)O)c2C(C)CCc2nn1Cc1c(C)cc(c(C)c1)OC	EMOLS-id_330968506,MCULE-2681363209	314.379	WGVOWKWQOMBTKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072289
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1C)OC	EMOLS-id_330970802,MCULE-2323510851	314.379	IHISLMQSJYZNPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072290
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)OCC	EMOLS-id_330972082,MCULE-3755017330	314.379	DKKDDCUQADZQIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072291
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)OC	EMOLS-id_330970546,MCULE-6773526573	314.379	SMLDGTPDBAJPKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072292
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(OCC)c1	MCULE-5395528433,EMOLS-id_330969269	314.379	CDHUFYVJIXOBNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072293
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2COC)n1	MCULE-2000118839,EMOLS-id_330992890	314.379	AFSZACLIBDFHRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072294
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)OCC)n1	EMOLS-id_330993396,MCULE-7242414926	314.379	CMZWQGBIIUJYJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072295
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2OCC)n1	MCULE-1342381163,EMOLS-id_330990838	314.379	GBCWGIOIECZDGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072296
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)ccc2OC)n1	MCULE-2840882579,EMOLS-id_330991094	314.379	ZVYHTYXZAOFIGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072297
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(C)c2)OC)n1	MCULE-6169121715,EMOLS-id_330990322	314.379	HAYWHNXYCAACHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072298
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(OC)c2)C)n1	MCULE-5533247760,EMOLS-id_330991860	314.379	WZTODEFCVJSMED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072299
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(OC)c2C)n1	MCULE-6090768963,EMOLS-id_330992378	314.379	CZXTZAINHKYUQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072300
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(OC)ccc2C)n1	MCULE-5304703407,EMOLS-id_330992634	314.379	FWLPJRGKDYLEGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072301
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1COC	MCULE-8280402218,EMOLS-id_330974646	314.379	YVGAYYYJQUVNBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072302
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)OCC	EMOLS-id_330975152,MCULE-7878621075	314.379	BGPOCEZPEFUSFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072303
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1OCC	MCULE-8562339174,EMOLS-id_330976689	314.379	ASNBIKJPTBYKGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072304
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)ccc1OC	EMOLS-id_330976945,MCULE-7548249783	314.379	AHCPJLWJYNLOIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072305
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)OC	MCULE-9970638514,EMOLS-id_330972093	314.379	CZCYNZBXCAXWML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072306
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(OC)c1C	MCULE-6692394142,EMOLS-id_330974134	314.379	YRTVNUNFVBXFRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072307
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)C	MCULE-7605233589,EMOLS-id_330973616	314.379	ADHXXHBDMSYUAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072308
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(OC)ccc1C	MCULE-3340892913,EMOLS-id_330974390	314.379	HGAHFVQXOVSSSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072309
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccccc1OC	MCULE-3979546245,EMOLS-id_330973884	314.379	OHCOZRQVRJXUBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072310
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC	MCULE-4336908358,EMOLS-id_330974136	314.379	WRQLSLUHPNJBRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072311
OC1(CCN(CC1)Cc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318745382	314.445	YZBZINUXMPDCSS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072712
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(OC)c1	MCULE-4562011248,EMOLS-id_330976954	314.379	DVIMDDJGDYGWGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072312
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)OC)n1	EMOLS-id_330995192,MCULE-2068048420	314.379	VYVRYCYCUSLEMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072313
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2OC)n1	MCULE-1068402606,EMOLS-id_330995708	314.379	YBKVJOMAGQIPPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072314
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(OC)c2)n1	EMOLS-id_330996730,MCULE-1890223266	314.379	HQSBQQXAVAHPHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072315
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)OC	MCULE-1437571765,EMOLS-id_330980019	314.379	WPULFTNLTAOXOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072316
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1OC	MCULE-4478623592,EMOLS-id_330980535	314.379	GOYLZLOYZCBEKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072317
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(OC)c1	MCULE-4409749416,EMOLS-id_330977462	314.379	BYQKNBAUDOAULM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072318
Cc1c(n2CCC(c2c1)C(=O)OC(C)C)C(=O)c1cccn1C	PC-id_86735802	314.379	JXEXPGZXUIDUHB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-072319
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1CO	EMOLS-id_330991802,MCULE-8876344140	314.379	UBUNBFSRHAMOTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072320
CCOC(=O)Cc1cc(c(n1C)C(=O)c1ccc2n1CCC2)C	SCHEMBL11005596,PC-id_20272034	314.379	NDISQQSBSSLCMK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-072321
COc1cccc(OC(=O)C)c1C(C)n1cc2C(C)CCc2n1	EMOLS-id_331004322,MCULE-1287806274	314.379	JTPFNLMIIZMKHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072322
O1C(Cn2c1ncc2C(=O)C)COc1ccc(C(C)(C)C)cc1	PC-id_78098368	314.379	HYADHDXXSZOLOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072323
O1C(Cn2c1nc(c2)C(=O)C)COc1ccc(C(C)(C)C)cc1	PC-id_78098369	314.379	ZCBYYHKCEIPKAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072324
O1[C@@H](Cn2c1ncc2C(=O)C)COc1ccc(C(C)(C)C)cc1	PC-id_71525592	314.379	HYADHDXXSZOLOO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072325
O1[C@@H](Cn2c1nc(c2)C(=O)C)COc1ccc(C(C)(C)C)cc1	PC-id_71525593	314.379	ZCBYYHKCEIPKAB-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072326
OC(=O)C1c2n(CC1)c(c(c2)C)C(=O)c1n(c(C(C)C)cc1)C	PC-id_70411221,SCHEMBL10644577	314.379	VYFVEPGWMLXPHK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-072327
OC(=O)CC1c2n(c(nc2CC1)C(C)C)Cc1ccc(O)cc1	PC-id_71228686,SCHEMBL14641617	314.379	XCBOQKSONCYIBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072328
s1c2c(CCC2)c(c1NC(=O)CCc1ccccc1)C(=O)[O-]	PC-id_3441780	314.379	ONJIWHSZSJRAHC-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-072329
OCc1oc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_105978056	314.381	VRLPCUOMURMLNP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072330
s1c2c(CCC2)c(c1NS(=O)(=O)C(CC)C#N)C(=O)O	PC-id_65553116	314.381	JSHHZINAVGJFBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072331
s1c2c(CCC2)c(c1NS(=O)(=O)CCCC(=O)O)C#N	PC-id_43173122	314.381	ZCXDKEAKRKVBMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072332
c12CN(Cc1[nH]c(Cc1ccc(cc1)N)n2)C(=O)OC(C)(C)C	PC-id_83949580,MCULE-6341686851	314.382	GLWAWLUJEWJPET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072333
c12CN(Cc1n(nc2)CCO)CC(=O)Nc1cc(C)ccc1C	EMOLS-id_55655222,MCULE-6084930766,PC-id_91836044,ZINC22_244678406	314.382	ICCFBGZENUPJKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072334
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1cc(on1)C(C)C	MCULE-7594460634,PC-id_77091360,EMOLS-id_49888695	314.382	KXRUHJSLOGVPQC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072335
c1(cc2n(C[C@@H](Oc3cccnc3)C2)n1)C(=O)N(CC)C(C)C	MCULE-1139809952,EMOLS-id_316322107	314.382	AXDINILYSJUECU-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072336
c1(cc2n(C[C@@H](Oc3ccncc3)C2)n1)C(=O)N(CC)C(C)C	EMOLS-id_316255225,MCULE-4308258537	314.382	GMAKATYRBIVTTJ-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072337
c1(cc2n(CC(Oc3ccncc3)C2)n1)C(=O)N(CC)C(C)C	MCULE-8828202221	314.382	GMAKATYRBIVTTJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072338
c1(CN(C)CC(=O)Nc2ccccc2OC)c2CCCc2[nH]n1	ZINC22_243892797,EMOLS-id_55680643,MCULE-1819284229,PC-id_91839659	314.382	ALGYTDVOMNZIIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072339
c1(CNC(=O)Nc2ccccc2OCC)c2CCCc2nn1C	ZINC22_225818698,MCULE-6114903511,EMOLS-id_53884691,PC-id_91819411	314.382	UJQUMNUARQCRDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072340
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)c(C)[nH]c(C(=O)C)c1C	EMOLS-id_55603492,MCULE-5247615480,PC-id_91760247	314.382	JTMRONUQIIWIPX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-072341
c1(C(=O)NCC(c2ccco2)N2CCCC2)c2CCCc2n[nH]1	EMOLS-id_82705699,MCULE-6195113267,PC-id_119060747	314.382	DVSDEIZOTRVRAQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072342
c1(C(=O)N(C)CCCC)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-1296968552,EMOLS-id_316322104	314.382	ZWPIGQKIHOYUNC-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072343
c1(C(=O)NC(C)(C)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-7240642440,EMOLS-id_316327218	314.382	RBRZUOXWFNSZFU-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072344
Cc1c2n(CCO2)nc1C(=O)NCC(c1ccccc1)N(C)C	PC-id_91959940	314.382	JPKZZSXNONCIIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072345
Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_95273761,ZINC22_69349211	314.382	XBXYULJTSGDUFE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072346
Cc1cccc(C)c1OCC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_95273762,ZINC22_69349213	314.382	XBXYULJTSGDUFE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072347
Cc1cc(C)cc(OCCC(=O)NCc2nnc3n2CCC3)c1	ZINC22_44776185,EMOLS-id_31885343,MCULE-2260344652,PC-id_51076973	314.382	SPOFOKUQVUTBQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072348
Cc1ccc(C)c(OCC(=O)NCc2nnc3CCCn23)c1C	PC-id_46994436,MCULE-8274194553,EMOLS-id_31618951,ZINC22_55324968	314.382	DDGVAPUZLOVPDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072349
Cc1ccc(C)c(OCC(=O)N(C)Cc2nnc3n2CCC3)c1	PC-id_53498591,ZINC22_48340714,MCULE-1235146652,EMOLS-id_35706518	314.382	SUGPDASDKLDKSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072350
Cc1cccc(OCCC(=O)NCc2nnc3n2CCC3)c1C	ZINC22_45340587,PC-id_53517838,EMOLS-id_35697684,MCULE-8382365237	314.382	GOHPQAUWDPVQQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072351
Cc1cccc(OCCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1	CoCoCo_4879918,PC-id_93615669,ZINC22_40522690	314.382	OCFFSAJRFPXDNJ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072352
Cc1cccc(OCCC(=O)N[C@H](C)c2nnc3n2CCC3)c1	CoCoCo_4879919,PC-id_93615670,ZINC22_40522694	314.382	OCFFSAJRFPXDNJ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072353
Cc1cccc(OCC(=O)N(C)Cc2nnc3n2CCC3)c1C	MCULE-3109300041,PC-id_45819254,ZINC22_44934874,EMOLS-id_31936686	314.382	OCUGBYLQAXNAFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072354
Cc1ccc(OCCC(=O)NCc2nnc3n2CCC3)cc1C	EMOLS-id_31885341,PC-id_51076972,ZINC22_44776182,MCULE-1690978354	314.382	FGKILEAINGTBRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072355
Cc1ccc(OCCC(=O)NCc2nnc3n2CCC3)c(C)c1	PC-id_53528679,MCULE-3474229721,EMOLS-id_36264983,ZINC22_45142451	314.382	NBDXXPIANASBNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072356
Cc1nnc2CC(CNC(=O)CCCOc3ccccc3)Cn12	EMOLS-id_317470619,PC-id_137337432,MCULE-4140426499	314.382	OXZRDQPHIWEKLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072357
Cc1nnc2n1C[C@H](CNC(=O)CCCOc1ccccc1)C2	ZINC22_1772710161	314.382	OXZRDQPHIWEKLQ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072358
Cc1nnc2n1C[C@@H](CNC(=O)CCCOc1ccccc1)C2	ZINC22_1772710166	314.382	OXZRDQPHIWEKLQ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072359
CCc1cccc(c1)OCC(=O)NC(c1nnc2n1CCC2)C	PC-id_71896181,MCULE-2281208315,EMOLS-id_45751118	314.382	YWPDIEODBNCNII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072360
CCc1cccc(OCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1	ZINC22_42536361,PC-id_93874225	314.382	YWPDIEODBNCNII-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072361
CCc1cccc(OCC(=O)N[C@H](C)c2nnc3n2CCC3)c1	ZINC22_42536364,PC-id_93874226	314.382	YWPDIEODBNCNII-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072362
CC(C)c1cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)no1	PC-id_99942717,ZINC22_215988188	314.382	KXRUHJSLOGVPQC-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072363
CC(C)c1cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)no1	ZINC22_215988150,PC-id_99942714	314.382	KXRUHJSLOGVPQC-AWEZNQCLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072364
CC(Cc1nc(O)cc(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318953147	314.382	ROORAXUPACCZFS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072365
CCCCN(C(=O)c1nn2c(c1)CC(C2)Oc1cccnc1)C	MCULE-9629337991	314.382	ZWPIGQKIHOYUNC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072366
CCCCOc1ccc(c(c1)C)NC(=O)N1CCn2c1ncc2	EMOLS-id_319033794	314.382	RYGNTVAPMRHLSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072367
CCC(C(=O)N(Cc1nnc2n1CCC2)C)Oc1ccccc1	PC-id_45819253,MCULE-5845533240,EMOLS-id_31936684	314.382	IZYVJIOFYFFZHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072368
CC[C@H](C)c1ccc(C(=O)N[C@@H]2C[C@H](C)n3ccnc23)c(O)n1	ZINC22_1875308919	314.382	HYPSMMHFAWRNEX-COPLHBTASA-N	00000010100000101001000010000000000000000000000000000000	25-01-072369
CC[C@H](C)c1ccc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)c(O)n1	ZINC22_1875308920	314.382	HYPSMMHFAWRNEX-MISXGVKJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072370
CC[C@H](C)c1ccc(C(=O)N[C@H]2C[C@H](C)n3ccnc23)c(O)n1	ZINC22_1875308921	314.382	HYPSMMHFAWRNEX-MJVIPROJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072371
CC[C@H](C)c1ccc(C(=O)N[C@H]2C[C@@H](C)n3ccnc23)c(O)n1	ZINC22_1875308922	314.382	HYPSMMHFAWRNEX-WDMOLILDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072372
CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2	CoCoCo_4880087,PC-id_93615759,ZINC22_40523017	314.382	IZYVJIOFYFFZHS-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072373
CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_40523014,PC-id_93615758,CoCoCo_4880088	314.382	IZYVJIOFYFFZHS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072374
CC(Cn1cccc(c1=O)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318874685	314.382	JMFOUSPWPKOQTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072375
CCC(NC(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)(C)C	MCULE-7589127085	314.382	RBRZUOXWFNSZFU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072376
CC(C)Oc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1	EMOLS-id_31936700,PC-id_45819258,ZINC22_40523024,CoCoCo_4880090,MCULE-8801728583	314.382	DPGUJJKJSBSYNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072377
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1	ZINC22_44894996,PC-id_94017913	314.382	QYHVVIOMCZUTKS-YPMHNXCESA-N	00100010101000000001100010000000000000000000000000000000	25-01-072378
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1	ZINC22_44895000,PC-id_94017914	314.382	QYHVVIOMCZUTKS-AAEUAGOBSA-N	00100010101000000001100010000000000000000000000000000000	25-01-072379
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1	ZINC22_44895005,PC-id_94017915	314.382	QYHVVIOMCZUTKS-DGCLKSJQSA-N	00100010101000000001100010000000000000000000000000000000	25-01-072380
C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1	ZINC22_44895009,PC-id_94017916	314.382	QYHVVIOMCZUTKS-WCQYABFASA-N	00100010101000000001100010000000000000000000000000000000	25-01-072381
CCN(C(=O)c1nn2c(c1)CC(C2)Oc1cccnc1)C(C)C	MCULE-4765388914	314.382	AXDINILYSJUECU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072382
CC(Oc1cccc(c1)CN(C(=O)C1NCc2c1c[nH]n2)C)C	EMOLS-id_320059417,MCULE-9309873972	314.382	YNUIIBGVIXBDHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072383
CC(Oc1ccccc1C(NC(=O)C1NCc2c1c[nH]n2)C)C	EMOLS-id_320103906,MCULE-1175819005	314.382	HHYSLHZDQRPEFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072384
CN1CCC(CC1)n1ccc(n1)NC(=O)c1occ2c1CCC2	EMOLS-id_318538605	314.382	GSIMXBFCFILKHJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072385
CN1C[C@@H](NC(=O)c2occ3c2CCC3)[C@H](c2cncn2C)C1	MCULE-4256871807,EMOLS-id_316093354,ZINC22_952887167	314.382	YVTLZQUYTYZAJQ-ZIAGYGMSSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072386
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccco1)C2	ZINC22_96084526,PC-id_97405352,EMOLS-id_46182061	314.382	UCRCZAOOZUPDSQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-072387
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccoc1)C2	ZINC22_96084506,PC-id_97405332,EMOLS-id_46182021	314.382	ZNETVGBESBFFNE-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-072388
CN(CCNC(=O)c1oc2c(n1)CN(C2)Cc1ccccc1)C	PC-id_97525773	314.382	SYHDOSXDRIZYEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072389
CN(C(=O)c1cc(ccc1O)C(C)C)Cc1nnc2n1CCC2	EMOLS-id_318563694	314.382	DQBXDXHYYBLOHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072390
CN(C(=O)c1ccc(cc1O)C(C)C)Cc1nnc2n1CCC2	EMOLS-id_318757489	314.382	WNXONSFZTCCJNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072391
COc1ccc(cc1)CCC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_31936096,PC-id_45819097,MCULE-6540958168	314.382	WHYXJHTWPYWGGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072392
COc1cccc(c1)CCC(=O)NC(c1nnc2n1CCC2)C	MCULE-7015607764,EMOLS-id_31936148,PC-id_45819119	314.382	WKEMEUWYBLKYMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072393
COc1ccccc1CNC(=O)c1cc2C[C@@H](Cn2n1)N(C)C	MCULE-4040459433,EMOLS-id_316327736	314.382	WIVZYKOFISYAFJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072394
COc1ccc(cc1)C(=O)N1Cc2c(C1)c(nn2C)CN(C)C	PC-id_97519168	314.382	ZHLQUBFWGPBIMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072395
COc1cccc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)c1	CoCoCo_4879928,PC-id_93615680,ZINC22_40522726	314.382	WKEMEUWYBLKYMY-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072396
COc1cccc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1	PC-id_93615679,ZINC22_40522723,CoCoCo_4879929	314.382	WKEMEUWYBLKYMY-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072397
COc1ccc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1	PC-id_94024391,ZINC22_44934424	314.382	WHYXJHTWPYWGGQ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072398
COc1ccc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)cc1	PC-id_94024392,ZINC22_44934427	314.382	WHYXJHTWPYWGGQ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072399
COc1cccc(CNC(=O)c2cc3C[C@@H](Cn3n2)N(C)C)c1	MCULE-5339046266,EMOLS-id_316339537	314.382	OMOOKEMCGKLOAC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072400
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC)c1ccccc1	SCHEMBL19542178	314.382	FJJJEXGTWRDGPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072401
COC(=O)N(Cc1ccc(cc1)NC1CC(n2c1ncc2)C)C	MCULE-7173545392,EMOLS-id_318782733	314.382	JRPHNNHCXAWKFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072402
n12CC(Cc1cc(C(=O)NCc1ccccc1OC)n2)N(C)C	MCULE-1622522353	314.382	WIVZYKOFISYAFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072403
n12CC(Cc1cc(C(=O)NCc1cccc(OC)c1)n2)N(C)C	MCULE-3673532415	314.382	OMOOKEMCGKLOAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072404
n1c(CNC(=O)Cc2ccc(cc2)OCCN)c2c(CCC2)[nH]1	PC-id_119070355,ZINC22_426593865,MCULE-5287458449,EMOLS-id_82731431	314.382	UFTJEMVUNONANP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072405
n1c(CNC(=O)N[C@H](CO)Cc2ccccc2)c2c(CCC2)[nH]1	EMOLS-id_177469981,ZINC22_426599528,MCULE-9689701357,PC-id_121508442	314.382	IHPROVAPFOGTOM-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072406
o1c(C2C(C2)C)ccc1CCC(=O)NCc1n2CCCc2nn1	PC-id_45803647,MCULE-7197612142,EMOLS-id_31870899	314.382	QYHVVIOMCZUTKS-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-072407
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1ccccc1	BindingDB_PC-id_54467011,PC-id_54467011	314.382	XFPIYZXESSEJJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072408
O=C(c1ccc(cn1)OC(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318515716	314.382	WYUGADIPWVIBJS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072409
O=C(c1ccc(cn1)OC(C)(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_317945543	314.382	TYUDTKPHDANHEW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072410
O=C(c1cccc(n1)OC(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_320167044,MCULE-1641475927	314.382	SMWBRZYTFFOYGR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072411
O=C(c1ccc(cn1)OC(C)(C)C)NCc1cnc2n1CCC2	MCULE-5050891532,EMOLS-id_319998802	314.382	IBHKLIJGWFQNDA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072412
O=C(c1cccc(n1)OC(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319473557	314.382	GKAYUVXZOIMDRX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072413
O=C(c1ccc(cn1)OC(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319837244	314.382	AFYDMCZOANHKPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072414
O=C(c1cccn(c1=O)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319267539	314.382	BLPQFFLTCYHNIP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072415
O=C(c1cccn(c1=O)C(C)(C)C)NCc1n[nH]c2c1CCC2	MCULE-6407288039,EMOLS-id_320159694	314.382	POEMDCCJKOETSL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072416
O=C(c1ccc(o1)CN1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318600055,MCULE-9376277425	314.382	MWUWUYHPJJHQCG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072417
O=C(c1ccc(o1)CN1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319042131	314.382	WENXDBCMKJZCHT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072418
O=C(c1ccc(o1)CN1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320163698,MCULE-5324144399	314.382	MFJODDGONLHJAW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072419
O=C(c1ccco1)N1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318393097,MCULE-2811368438	314.382	PUBROZQUBHSGJC-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-072420
O=C(c1cnc2n1CCC2)N1CCC[C@H]1c1occ(n1)C(C)C	EMOLS-id_318849899	314.382	RLLWJSITXWXKQR-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072421
O=C(c1cocc1)N1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318275184,MCULE-9487475297	314.382	LIYWBKGEMOZHDS-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-072422
O=C(c1coc(n1)C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319877589,MCULE-9028544691	314.382	ZOJDZMPOBRVMGM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072423
O=C(c1occ2c1CCC2)N1CCN(CC1)Cc1ccnn1C	EMOLS-id_320236052,MCULE-1044499158	314.382	IIMDARURPNDMJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072424
O=C(C(Cc1ccccc1)(O)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318285311	314.382	FRIYFMRPXNYDLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072425
O(CCC(=O)NC(c1n2CCCc2nn1)C)c1cc(ccc1)C	PC-id_45819104,MCULE-6898116928,EMOLS-id_31936114	314.382	OCFFSAJRFPXDNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072426
O=C([C@@H](OCc1ccccc1)C)N[C@H](c1nnc2n1CCC2)C	CoCoCo_4879950,PC-id_93615699	314.382	XHCYCIOIFRYCRO-STQMWFEESA-N	00000010100000110001000010000000000000000000000000000000	25-01-072427
O=C([C@@H](OCc1ccccc1)C)N[C@@H](c1nnc2n1CCC2)C	CoCoCo_4879951,PC-id_93615700	314.382	XHCYCIOIFRYCRO-OLZOCXBDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072428
O=C([C@H](OCc1ccccc1)C)N[C@H](c1nnc2n1CCC2)C	PC-id_93615695,CoCoCo_4879949	314.382	XHCYCIOIFRYCRO-QWHCGFSZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072429
O=C([C@H](OCc1ccccc1)C)N[C@@H](c1nnc2n1CCC2)C	PC-id_93615696,CoCoCo_4879952	314.382	XHCYCIOIFRYCRO-CHWSQXEVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072430
O=C(C(OCc1ccccc1)C)NC(c1nnc2n1CCC2)C	PC-id_45819144,EMOLS-id_31936210,MCULE-1525159582	314.382	XHCYCIOIFRYCRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072431
O(CC(=O)NC(c1n2CCCc2nn1)C)c1c(cccc1C)C	PC-id_53521468,MCULE-7902230178,EMOLS-id_36268858	314.382	XBXYULJTSGDUFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072432
O(C(C(=O)N(Cc1n2CCCc2nn1)C)C)Cc1ccccc1	EMOLS-id_31936758,MCULE-4495239190,PC-id_45819282	314.382	YPADAEAEEKMIMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072433
O=C(N1Cc2c(C1)n(nc2N)Cc1ccccc1)OC(C)(C)C	SCHEMBL19358458	314.382	RRRYGLNWCCCFJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072434
O=C(N1CCC[C@H]1c1occ(n1)C(C)C)c1nn2c(c1)CCC2	EMOLS-id_319539144	314.382	JTGMLRXAGNMOAQ-HNNXBMFYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072435
O=C(N1CCn2c1ncc2)Nc1ccc(cc1)COC(C)(C)C	EMOLS-id_318455624	314.382	XVWODEUDNULRSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072436
O=C(N1CCn2c1ncc2)Nc1ccccc1COC(C)(C)C	EMOLS-id_318724123	314.382	ARJCEQXABNBCEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072437
O=C(N1CCn2c1ncc2)Nc1cccc(c1)COC(C)(C)C	EMOLS-id_318748121	314.382	PXRPMKRZZAJDMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072438
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccno1	PC-id_92109672	314.382	WOOAITGSUKXLKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072439
O=C(N(Cc1nnc2n1CCC2)C)[C@H](OCc1ccccc1)C	CoCoCo_4880108	314.382	YPADAEAEEKMIMZ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072440
O=C(N(Cc1nnc2n1CCC2)C)[C@@H](OCc1ccccc1)C	CoCoCo_4880109	314.382	YPADAEAEEKMIMZ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072441
O=C(N(C)C)COc1cccc(c1)NCc1cnc2n1CCC2	EMOLS-id_318110016	314.382	UPMRRFGKUHICGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072442
O=C(NC[C@H](c1ccco1)N1CCCC1)c1n[nH]c2c1CCC2	ZINC22_125965913	314.382	DVSDEIZOTRVRAQ-CQSZACIVSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072443
O=C(NC[C@@H](c1ccco1)N1CCCC1)c1n[nH]c2c1CCC2	ZINC22_125966137	314.382	DVSDEIZOTRVRAQ-AWEZNQCLSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072444
O=C(OC(C)(C)C)Nc1cccc(c1)CN1CCn2c1ncc2	EMOLS-id_318688364	314.382	CKOZLZTYSWNVGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072445
OCc1c(C)[nH]nc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978044	314.384	NKRNTHYRSCFVJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072446
OCc1n[nH]c(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_105978013	314.384	ZLAUVEWMBTXEFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072447
OCCn1ncc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978041	314.384	OFAYHFUHXCPYTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072448
c1(CN2CCC(CC2)COc2ncccn2)nnc2CCCn12	MCULE-6439526253,ZINC22_1775996106,EMOLS-id_317519437	314.385	VHKYSYQMPBZBMT-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-072449
c1(CN2CCCC(COc3cnccn3)C2)nnc2CCCn12	EMOLS-id_337725892,MCULE-8815255875	314.385	QOQBUALXKPGFDF-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-072450
c1(CN2CCCC(COc3ncccn3)C2)nnc2CCCn12	MCULE-1313769234,EMOLS-id_317518926	314.385	PELNFUJBAAGVNC-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-072451
c1cnc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1	ZINC22_1776000902	314.385	PELNFUJBAAGVNC-CYBMUJFWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-072452
c1cnc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1	ZINC22_1776000903	314.385	PELNFUJBAAGVNC-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-072453
c1(c[nH]nc1C1CCCCC1)C(=O)NCc1nnc2CCCn12	PC-id_70753844,EMOLS-id_44727954,ZINC22_91706978,MCULE-2991313894	314.385	CNWGLSZXJQZABM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072454
c1(C(=O)Nc2n[nH]c(CCC3CCCC3)n2)c2CCCc2n[nH]1	EMOLS-id_49407455,PC-id_71707030,ZINC22_95477909,STOCK7S-44101,EMOLS-id_48569808,MCULE-3656108550	314.385	IZZAGWJXGWHQRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072455
c1(C(=O)NCc2nncn2C2CCCCC2)c2CCCc2[nH]n1	MCULE-3220033067,EMOLS-id_36442068,PC-id_56711037,ZINC22_67855493	314.385	QPXWMPUKHQUSTO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072456
Cc1cc(N(C)C)ccc1NC(=O)NCc1nnc2n1CCC2	PC-id_75403320,EMOLS-id_48214131,MCULE-3960832168,ZINC22_46030619	314.385	LJSHOKZKRVTMJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072457
Cc1nc(ccc1NC1CC(n2c1ncn2)C)N1CCOCC1	MCULE-3362806453,EMOLS-id_318545870	314.385	BDMCHOWWLIZBON-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-072458
CC(C)[C@H](NC(=O)NCc1cccnc1)c1nnc2n1CCC2	PC-id_95760920,ZINC22_72271555	314.385	RLJVGTLFDGMWEQ-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072459
CC(C)[C@@H](NC(=O)NCc1cccnc1)c1nnc2n1CCC2	ZINC22_72271556,PC-id_95760921	314.385	RLJVGTLFDGMWEQ-CQSZACIVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072460
CCN1CCN(CC1c1ncc[nH]1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316076733,MCULE-4156832066	314.385	MPICEANMZFZRFF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072461
CCN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1ncc[nH]1	ZINC22_328627299	314.385	MPICEANMZFZRFF-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072462
CCN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1ncc[nH]1	ZINC22_328627300	314.385	MPICEANMZFZRFF-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072463
CC(Oc1ccc(cc1)NC(=NCc1nnc2n1CCC2)N)C	PC-id_111039277	314.385	QYLKDJLIVUZXDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072464
CN1CCCC1c1n[nH]c(c1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319700442	314.385	UWTWVMXIKCQEAK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072465
CN1CCCC1c1n[nH]c(c1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_278282440	314.385	PDIFFMOHYAXKMV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072466
CN1CCCC1c1n[nH]c(c1)C(=O)NCc1cnc2n1CCC2	MCULE-8536194025,EMOLS-id_319954778	314.385	JHIURTCBLIYGLB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072467
CN1CCC(CC1)n1ncc(c1)NC(=O)c1cn2c(n1)CCC2	MCULE-7589031085,EMOLS-id_319927671	314.385	BMFNXKCNJKPUTL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072468
CN1CCC(CC1)n1ncc(c1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319228789	314.385	MCEFOZWKNYZMGL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072469
CN1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@H](c2cncn2C)C1	EMOLS-id_316094376,ZINC22_952887135,MCULE-8998074895	314.385	YDLUOTGSTLUUQE-TZMCWYRMSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072470
CN1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@H](c2cncn2C)C1	ZINC22_1775960039,EMOLS-id_316092838,MCULE-1198328605	314.385	OSFHOEFBHUVWNV-VXGBXAGGSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072471
CN1CCN(CC1c1nccn1C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111764333,MCULE-7343542885	314.385	VSTDQOCBHKJVTN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072472
CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1nccn1C	ZINC22_328636872	314.385	VSTDQOCBHKJVTN-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072473
CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1nccn1C	ZINC22_328636874	314.385	VSTDQOCBHKJVTN-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072474
Cn1ncc(c1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98701889	314.385	MJJOTRBWCUQGGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072475
Cn1nc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)C1CCC1	EMOLS-id_316954376	314.385	SBWNSRQQWVZKMT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-072476
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1c[nH]cn1)C2	ZINC22_96084527,EMOLS-id_46182063,PC-id_97405353	314.385	PFSGKUJWSFWNCM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072477
CN(c1ccc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319580261	314.385	LFTYGLVCNXDSBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072478
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)OC	PC-id_111020229	314.385	ANIIGHIUKNQPAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072479
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1OC	PC-id_111020263	314.385	FYCOAYNYQCWVEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072480
CN=C(NCc1nnc2n1CCC2)NCc1cccc(c1)OC	PC-id_111020303	314.385	AFTLAORTUJIXDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072481
CN=C(NCc1nnc2n1CCC2)NCCOc1ccccc1	PC-id_111006501	314.385	VWSQWVOAXLJLGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072482
COc1ccc(CCNC(=N)NCc2nnc3n2CCC3)cc1	ZINC22_58185279,PC-id_47091780	314.385	KQKKGZKPSRJLBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072483
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)Cc1cccs1	MCULE-1347980277	314.385	CKEFAMIYAKLTJE-UHFFFAOYSA-N	00000000110100000001000010000000000000000000000000000000	25-01-072484
n1c(NCc2c3CCCc3[nH]n2)nccc1N1CCCC(O)C1	MCULE-7639360255,PC-id_135092181,EMOLS-id_317382192	314.385	KNTXPUQVGCZXND-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072485
NC(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cc2n(n1)CCC2	ZINC22_844320953	314.385	SBLVAQMPSVKZCQ-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072486
NC(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cc2n(n1)CCC2	ZINC22_844320954	314.385	SBLVAQMPSVKZCQ-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072487
NC(=O)c1cn[nH]c1C1CCCCN1Cc1nn2c(c1)CCC2	EMOLS-id_316118404,MCULE-3844774570	314.385	SBLVAQMPSVKZCQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072488
O=c1n2nc(Cc3cccs3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324836593	314.385	CKEFAMIYAKLTJE-XFFZJAGNSA-N	00000000110100000001000010000000000000000000000000000000	25-01-072489
O=C(c1ccn(n1)C1CCCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_318811929	314.385	KUFJCMOYKHZJEU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072490
O=C(c1ccn(n1)C1CCCNC1)Nc1n(C)nc2c1CCC2	PC-id_120430593	314.385	NLMOERJBBHYZIB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072491
O=C(c1cn2c(n1)CCC2)N1CCN(CC1)Cc1ccnn1C	MCULE-5650956220,EMOLS-id_320196845	314.385	CRKBMRSKUGEFEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072492
O=C(c1cnn2c1CCC2)N1CCN(CC1)Cc1ccnn1C	MCULE-5895075224,EMOLS-id_319933653	314.385	CDKXQWDRWICLAY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072493
O=C(C1NCc2c1c[nH]n2)Nc1cc(nn1C)C1CCCCC1	EMOLS-id_319081518	314.385	HGYRKFARUBBRPB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072494
O=C(C1NCc2c1c[nH]n2)Nc1[nH]nc(c1)CC1CCCCC1	EMOLS-id_319308521	314.385	HFBLJOJFOWYFIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072495
O=C(c1nn2c(c1)CCC2)N1CCN(CC1)Cc1ccnn1C	EMOLS-id_319893266,MCULE-6064205907	314.385	FLUNDWHAZAKLHP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072496
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1nccn1C	EMOLS-id_98699771	314.385	OVINMRRKFUKGKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072497
O=C([C@H]1CNC[C@@H]1c1cnn(c1)C)Nc1n(C)nc2c1CCC2	PC-id_120937610	314.385	YJKJGLLZNNVLCM-OLZOCXBDSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072498
O[C@@H]1CCCN(c2ccnc(NCc3n[nH]c4c3CCC4)n2)C1	ZINC22_1704280035	314.385	KNTXPUQVGCZXND-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072499
O[C@H]1CCCN(c2ccnc(NCc3n[nH]c4c3CCC4)n2)C1	ZINC22_1704280036	314.385	KNTXPUQVGCZXND-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-072500
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)C)N(C)C	EMOLS-id_319082576	314.385	WVQXNEWPGFQRIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072501
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(nc1)C(C)(C)C	EMOLS-id_319821683	314.385	KPNNEFVONGDQLZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072502
O=C(N1C(CCC1)c1n(ccc1)C)NCc1n2CCCc2nn1	PC-id_75893022	314.385	QLYMUJLSJKNQDR-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-072503
O=C(N1CCCCC1c1n[nH]cc1)NC1CC(n2c1ncc2)C	EMOLS-id_101574786	314.385	SKXZVMICTCQCOU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-072504
O=C(N1CCC[C@H]1Cc1ccnn1C)NC1CCn2c1ncc2	EMOLS-id_319523874	314.385	YNKVGFBICUZZBW-LSLKUGRBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072505
O=C(N1[C@@H](CCC1)c1n(ccc1)C)NCc1n2CCCc2nn1	PC-id_52651132	314.385	QLYMUJLSJKNQDR-ZDUSSCGKSA-N	00000010110000000001100010000000000000000000000000000000	25-01-072506
O=C(N1[C@H](CCC1)c1n(ccc1)C)NCc1n2CCCc2nn1	PC-id_52651133	314.385	QLYMUJLSJKNQDR-CYBMUJFWSA-N	00000010110000000001100010000000000000000000000000000000	25-01-072507
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ncn[nH]1	PC-id_92109938	314.385	XDQHPGAUOVLWMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072508
O=C(NC1CC(n2c1ncc2)C)Nc1nccc(n1)C(C)(C)C	MCULE-2329001583,EMOLS-id_319988530	314.385	DWWCFRSFUKMAJG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072509
O=C(NC(c1n2CCCc2nn1)C(C)C)NCc1cccnc1	MCULE-6811150293,PC-id_60277038,EMOLS-id_42884837	314.385	RLJVGTLFDGMWEQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072510
O=C(NC(c1n2CCCc2nn1)C(C)C)NCc1ccncc1	PC-id_60273715	314.385	UGYIYEBZRMWAKA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072511
O=C(NCc1n2CCCc2nn1)NCc1ccc(N(C)C)cc1	PC-id_38951165	314.385	WDTCEXITYWZGRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072512
Cc1sc2c(n1)CN(C2)S(=O)(=O)CCCn1cnnn1	EMOLS-id_319333586	314.387	BSGSYAXHRXKVRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072513
CNc1c(c2c(s1)CCC2)C(=O)NC1CCC(CC1)(F)F	PC-id_135200405,SCHEMBL20353990	314.394	GMQBRMXMLDWEHC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-072514
O=C(CCCOC(=O)c1cc2c(s1)CCC2)c1ccccc1	MCULE-1784914419,ZINC22_7779599,EMOLS-id_43696764,PC-id_8893415,CoCoCo_2840926	314.399	CPOQYWJLZDXPNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072515
OC(=O)CCC1CCc2c1sc(c2C(=O)c1ccccc1)C	SCHEMBL10746861,PC-id_20213621	314.399	ONWYYDVDTKKIPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072516
s1c2CCCc2cc1C(=O)OC(C(=O)c1ccc(cc1)C)C	PC-id_16505620	314.399	KSTBLZQZGFUVDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072517
s1c2CCCc2cc1C(=O)OCC(=O)c1cc(c(cc1)C)C	PC-id_45637985	314.399	JQOAPDFCHKMBQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072518
s1c2CCCc2cc1C(=O)OCC(=O)c1c(ccc(c1)C)C	PC-id_7291835	314.399	MCQXTKZKBHKKNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072519
s1c2CCCc2cc1C(=O)OCC(=O)c1c(cc(cc1)C)C	PC-id_7623735	314.399	AWJMRKLYOQPWEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072520
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)c1ccc(cc1)C)C	PC-id_7291885	314.399	KSTBLZQZGFUVDE-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072521
s1c2CCCc2cc1C(=O)O[C@H](C(=O)c1ccc(cc1)C)C	PC-id_7291886	314.399	KSTBLZQZGFUVDE-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072522
CC1CC(c2n1ncn2)NCC1(CCCC1)c1ccc(cc1)F	EMOLS-id_318733146,MCULE-3609633314	314.4	CHBPHKDRDQGXRS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072523
CC(c1nn2c(c1)CCC2)NC1CCN(C1)c1ccccc1F	MCULE-3119146357,EMOLS-id_318175977	314.4	WIUQKHOPDNUFCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072524
C[C@H](N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1nnc2n1CCC2	ZINC22_1875264501	314.4	BLRHOQYADDDAOY-BJJXKVORSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072525
C[C@H](N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1nnc2n1CCC2	ZINC22_1875264502	314.4	BLRHOQYADDDAOY-DUVNUKRYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072526
C[C@H](N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1nnc2n1CCC2	ZINC22_1875264503	314.4	BLRHOQYADDDAOY-JGGQBBKZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072527
C[C@H](N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1nnc2n1CCC2	ZINC22_1875264504	314.4	BLRHOQYADDDAOY-NOLJZWGESA-N	00000010100000110001100010000000000000000000000000000000	25-01-072528
CN1CC[C@H]([C@@H]1c1ccc(cc1)F)NCc1nn2c(c1)CCC2	EMOLS-id_318451733,MCULE-5426873736	314.4	CKZSHVPYJDXXRV-MSOLQXFVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072529
COCC(CNc1nc2c(s1)CCC2C(=O)OCC)OC	PC-id_105713328	314.4	MZLCLZLKIWHABJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072530
COCCN(c1nc2c(s1)CCC2C(=O)O)C(COC)C	PC-id_104288370	314.4	CGILLEKKUKLIAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072531
COCCN(c1sc2c(n1)C(CC2)C(=O)O)CCCOC	PC-id_104288282	314.4	ISEBYUWEXMXWER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072532
COCCOCCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_116021985	314.4	CAKPXUJNRURODJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072533
COCCOCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_104288150	314.4	XRZWDHLKWZHRPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072534
Fc1ccc(cc1)C1CCC(C1)NC(c1nnc2n1CCC2)C	EMOLS-id_318630760,MCULE-4098026574	314.4	BLRHOQYADDDAOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072535
Fc1ccc(cc1)C1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318706934,MCULE-8429723565	314.4	LHVUGTJGKNIXNI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072536
Fc1cccc(c1)[C@H]1CCNC[C@H]1NC1CC(n2c1ncc2)C	EMOLS-id_319767944	314.4	HHZJCVVXZGREMV-SHXOLCEUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072537
Fc1ccc(cc1)CN1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_318518279,MCULE-9798843778	314.4	WGWKKVVNIMLNFY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-072538
Fc1ccc(c(c1)C)N1CCCC(C1)NC1CCn2c1ncc2	EMOLS-id_318666850	314.4	KDPOTLDCODFKMJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072539
Fc1cccc(c1CNC1CC(n2c1ncc2)C)N1CCCC1	EMOLS-id_318320957,MCULE-2905779014	314.4	RWBGLWZZINALME-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072540
Fc1ccccc1N1CCC(C1)CNC1CC(n2c1ncc2)C	EMOLS-id_318182300,MCULE-2355468132	314.4	GNWMBUNFAVLRKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072541
Fc1ccc(cc1)N1CCC(C1)CNC1CC(n2c1ncc2)C	MCULE-8654189739,EMOLS-id_318277256	314.4	NLPHTDDPGVUIIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072542
Fc1ccc(cc1)N1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318650961,MCULE-3034668603	314.4	ACQLYOVRYULCEA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072543
Fc1cccc(c1)N1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318666545,MCULE-3550340851	314.4	YVHMXIABMVCHLZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072544
Fc1cccc(c1)N1CCCC(C1)NC1CC(n2c1ncc2)C	MCULE-2524379142,EMOLS-id_318364726	314.4	TVBROTJUERSAFK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072545
Fc1ccccc1N1CCCC(C1)NC1CC(n2c1ncc2)C	MCULE-4253900487,EMOLS-id_318364987	314.4	LVUVLPCCYZIUNH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072546
Fc1cccc(c1)N1CCCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318052284,MCULE-5674946453	314.4	MQLBPWYROSQGBQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072547
Fc1ccccc1N1CCCC(C1)NCc1cnc2n1CCC2	MCULE-2786878939,EMOLS-id_318389000	314.4	XMLRRUIBPCHXTH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072548
Fc1cccc(c1)N1CCC(CC1)NCc1cnc2n1CCC2	MCULE-7395102340,EMOLS-id_318582237	314.4	IOAONZUGLTXIQQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072549
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccccc1C	CoCoCo_677610,ZINC22_432432,CK1267089,MCULE-8380827496,Chemmine_25701,EMOLS-id_1132112,PC-id_867752	314.402	MDBPMMYRLOSCHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072550
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1cccc(C)c1	CoCoCo_6892802,ZINC22_17242023,MCULE-2586132505,EMOLS-id_13736489,SPECS-id_AG-667/11911015,PC-id_15942930	314.402	BRRKIHWZMPXZNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072551
c1(C(=O)N(C)C)c2CCCc2sc1NC(=O)c1ccccc1	PC-id_673762,ZINC22_35934,CHEMBL1362591,MCULE-7569876952,CoCoCo_666007,EMOLS-id_2017238,ChEMBL-DNDi_CHEMBL1362591,ChEMBL-DNDi_CHEMBL5584116	314.402	YQHYXCINHOMBIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072552
c1(NC(=O)c2ccc(cc2)CC)sc2c(CCC2)c1C(=O)N	EMOLS-id_2533494,MCULE-4225077579,SPECS-id_AP-970/43481810,PC-id_2993136,SPECS-id_AN-153/KC14354,ZINC22_4868725,CoCoCo_1025483	314.402	MJONFDWRKCBCDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072553
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)NC	CoCoCo_203781,PC-id_745132,TIMTEC36339,ChEMBL-DNDi_CHEMBL3261-1092,EMOLS-id_1341466,ZINC22_186969,MCULE-4708808501	314.402	LEVLUIBRWILNRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072554
c1(NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_16349073,PC-id_7474967,CoCoCo_2590239,MCULE-9763945836	314.402	BQCOAMYRPZQROR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072555
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)N	ZINC22_568610,BAS-06190746,EMOLS-id_1477888,MCULE-1533098708,CoCoCo_346291,PC-id_959574	314.402	ZQYABMQFFDLSOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072556
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)NC	MCULE-1368271172,CoCoCo_707305,EMOLS-id_2253878,ZINC22_106322,ChEMBL-DNDi_CHEMBL3759-1353,CHEMBL1502403,PC-id_712904	314.402	FEMNBZIMNPGIDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072557
c1(NC(=O)Cc2ccccc2C)sc2c(CCC2)c1C(=O)N	MCULE-9774617054,PC-id_47001951,EMOLS-id_30310736,ZINC22_41107555,SPECS-id_AP-970/43483077,SPECS-id_AN-153/KC16197	314.402	AIIJHRRWARJHMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072558
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-8976573067,EMOLS-id_16344682,PC-id_7195560,ZINC22_4335454,CoCoCo_2580156	314.402	HWYAZDDGPVWQOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072559
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)n1	MCULE-9150317486	314.402	RPVQPVJVXGHIHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072560
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_2703029,MCULE-3716089011,SCHEMBL21045428,SPECS-id_AN-153/KC13196,PC-id_4291673,ZINC22_4274230,SPECS-id_AE-641/15338112,CoCoCo_2590235	314.402	BRIIAHOERJOMQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072561
c1(NC(=O)CCC(=O)c2ccc(cc2)C)sc2c(CCC2)n1	PC-id_33039658,MCULE-2466351462,EMOLS-id_181475894	314.402	ZMEWKZJOGSCZNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072562
c1(NC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccccc1	MCULE-5419203075,CoCoCo_1069777,ZINC22_12379561,TIMTEC104294,PC-id_17173053,EMOLS-id_13330416	314.402	CNXWYUSQZZJXAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072563
Cc1ccc(c(c1)C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_4475575,MCULE-6262716738,PC-id_4664664,BAS-07006445,CoCoCo_359949,EMOLS-id_1491465	314.402	OHVNSEOPTYGXHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072564
Cc1cc(c(c(c1)C=Nc1c(c2c(s1)CCC2)C(=O)N)O)C	PC-id_136178152	314.402	WZWZLTYILMSCSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072565
Cc1ccccc1NC(=O)COC(=N)c1cc2c(s1)CCC2	PC-id_137389659,SCHEMBL20620320	314.402	KWYPPEPAEXLJEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072566
Cc1cc(cc(c1O)C)/C=N/NC(=O)c1cc2c(s1)CCC2	PC-id_135749581	314.402	UFPUTXDVBUQCHV-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072567
Cc1cc(c(cc1)O)/C(=N/NC(=O)c1cc2c(s1)CCC2)/C	PC-id_135749625	314.402	WFIXIOSHYJULID-WOJGMQOQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072568
Cc1cc(C)cc(c1)C(=O)Nc1sc2CCCc2c1C(=O)N	MCULE-7969366812,CoCoCo_1000886,EMOLS-id_2318641,PC-id_923691,ZINC22_512854	314.402	RTBVVHZVJYNLFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072569
Cc1ccc(C)c(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	EMOLS-id_43812110,MCULE-2339628767,ZINC22_6472254,PC-id_3372938,CoCoCo_3218617	314.402	IZOMAFQKDRLAKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072570
CCCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1	PC-id_97442309,ZINC22_96146782,EMOLS-id_44303538	314.402	AWBOUSNCINXEDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072571
CC/C(=NNC(=O)c1cc2c(s1)CCC2)/c1ccc(cc1)O	PC-id_135749612	314.402	DFFHGVFQWIOJLC-NBVRZTHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072572
CCC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	ZINC22_30229329,EMOLS-id_177217651,MCULE-2738814807	314.402	OVFWKLSVRYAIRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072573
CC(NC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1)C	PC-id_97410571	314.402	UTOSJLDQCASZJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072574
CCNC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	MCULE-1912587204,EMOLS-id_177204941,ZINC22_42670879,PC-id_51150155	314.402	JPZFHRVKZMQHOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072575
CC(=O)c1cc(ccc1)NC(=O)c1c(sc2c1CCC2)NC	SCHEMBL20354004,PC-id_135200417	314.402	DSRBGJXATZKRDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072576
CCOc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_181476356,PC-id_84559893	314.402	RPVQPVJVXGHIHW-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072577
CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCC2	CoCoCo_6388084,ZINC22_127214,MCULE-3967919946,PC-id_722808	314.402	HNGQSQVLXMRJDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072578
CN(C)C(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	MCULE-7204560244,ZINC22_32616313,EMOLS-id_177217744	314.402	NQNQGCSMIFJJKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072579
CNC(=O)c1ccccc1N(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_318604736	314.402	LCOBAIYCOBJGOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072580
CNC(=O)Cc1ccccc1NC(=O)c1cc2c(s1)CCC2	MCULE-9182677156,ZINC22_521402303,EMOLS-id_177277217	314.402	WPBQRJQYPRMOTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072581
CNC(=O)Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	EMOLS-id_177211258,MCULE-7631074749,ZINC22_30250544	314.402	ILCALEDZHTUPOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072582
NC(=O)CCN(C(=O)c1cc2c(s1)CCC2)c1ccccc1	PC-id_71943849,ZINC22_89841192,MCULE-6612832992,EMOLS-id_45633619	314.402	PZIUXRHJUVZSFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072583
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCC2	ZINC22_65609835,PC-id_95158734	314.402	FOZOEUMGFQLSPM-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072584
NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCC2	ZINC22_65609836,PC-id_95158735	314.402	FOZOEUMGFQLSPM-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072585
O=C1OCCN1c1ccc(cc1)CNC1CCc2c1scc2	MCULE-3752633576,EMOLS-id_318779919	314.402	RBOZUVFKYHOMDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072586
O=C1OCCN1c1cccc(c1)CNC1CCc2c1scc2	MCULE-6978406975,EMOLS-id_318715727	314.402	OBOXCZZUCFQOAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072587
O=C(c1cccc(c1)C1CCOC1)Nc1sc2c(n1)CCC2	EMOLS-id_318664179	314.402	UGLQLGBVOGDEPW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072588
O=C(c1ccccc1OC1CCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318100855	314.402	UWAUESSFARAFDP-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-072589
O=C(c1sc2c(c1)CCC2)Nc1ccccc1C(=O)N(C)C	EMOLS-id_318381939	314.402	UNHYSMCAFRRZHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072590
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)C(=O)N(C)C	EMOLS-id_318426144	314.402	YWULJUAPNNAZPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072591
O=C(c1sc2c(c1)CCC2)NC(C(=O)N)Cc1ccccc1	PC-id_53551287,MCULE-2766532290	314.402	FOZOEUMGFQLSPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072592
O=C(c1sc2c(c1)CCC2)N[C@@H]1CCO[C@H]1c1cccnc1	EMOLS-id_318691811	314.402	NKCRXAGAWAQYCY-CJNGLKHVSA-N	00000010100000101000100010000000000000000000000000000000	25-01-072593
O=C(c1sc2c(c1)CCC2)N[C@@H]1CCO[C@H]1c1ccncc1	EMOLS-id_318477257	314.402	BHSPVTQTJXRJKC-CJNGLKHVSA-N	00000010100000101000100010000000000000000000000000000000	25-01-072594
O=C([C@@H]1CCO[C@H]1c1ccccc1)Nc1sc2c(n1)CCC2	EMOLS-id_318735917	314.402	SVCJHAKCMXTTKA-DOMZBBRYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072595
O[C@@H]1C[C@@](C1)(C(=O)Nc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_316473597	314.402	XSMHPNJLRHIKAB-LAUQKZGBSA-N	00001010100000110001100010000000000000000000000000000000	25-01-072596
s1c2CCCc2cc1C(=O)NNC(=C1C=C(C=CC1=O)C)C	PC-id_9462722	314.402	TZBAKARURYQPKJ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-072597
s1c2CCCc2cc1C(=O)NN/C=C
/C=C(C(=O)C(=C1)C)C	PC-id_9462309	314.402	ZFVJOXKOWNKGQF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-072598
s1c2CCCc2cc1C(=O)NN/C(=C
/C=CC(=O)C=C1)/CC	PC-id_9462612	314.402	XZKATJCBGPKZEB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-072599
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OC)cc1)C	PC-id_85015541	314.402	IHNUXEHWVSPZJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072600
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OC)cc1)/C	PC-id_9462576	314.402	IHNUXEHWVSPZJG-WQRHYEAKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072601
s1c2CCCc2cc1C(=O)NN=Cc1ccc(OCC)cc1	PC-id_85015527	314.402	ACYVOHPUXADYOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072602
s1c2CCCc2cc1C(=O)NN=C(c1cc(OC)ccc1)C	PC-id_85015547	314.402	FZFSJDRHPSUXBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072603
s1c2CCCc2cc1C(=O)N/N=C(c1cc(OC)ccc1)/C	PC-id_9462586	314.402	FZFSJDRHPSUXBP-WQRHYEAKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072604
s1c2CCCc2cc1C(=O)N/N=C(c1c(OC)cccc1)/C	PC-id_9462461	314.402	MWQFHGUBHYEBDE-WQRHYEAKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072606
s1c2CCCc2cc1C(=O)NN=Cc1c(OCC)cccc1	PC-id_85015525	314.402	AEYKCDTUTWTOPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072607
s1c2CCCc2cc1C(=O)NN=Cc1oc(C2C(C2)C)cc1	PC-id_85000210	314.402	ADXKFEKJBPMWQD-UHFFFAOYSA-N	00100010101000000000100010000000000000000000000000000000	25-01-072608
s1c2CCCc2cc1C(=O)NN=Cc1oc([C@H]2[C@@H](C2)C)cc1	PC-id_9394466	314.402	ADXKFEKJBPMWQD-ZWNOBZJWSA-N	00100010101000000000100010000000000000000000000000000000	25-01-072609
s1c2CCCc2cc1C(=O)NN=Cc1oc([C@H]2[C@H](C2)C)cc1	PC-id_9394470	314.402	ADXKFEKJBPMWQD-GXFFZTMASA-N	00100010101000000000100010000000000000000000000000000000	25-01-072610
s1c2CCCc2cc1C(=O)NN=Cc1oc([C@@H]2[C@@H](C2)C)cc1	PC-id_9394475	314.402	ADXKFEKJBPMWQD-MFKMUULPSA-N	00100010101000000000100010000000000000000000000000000000	25-01-072611
s1c2CCCc2cc1C(=O)NN=Cc1oc([C@@H]2[C@H](C2)C)cc1	PC-id_9394479	314.402	ADXKFEKJBPMWQD-GWCFXTLKSA-N	00100010101000000000100010000000000000000000000000000000	25-01-072612
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(cc(c1)C)C	PC-id_26872770	314.402	IRZFUMBXTRFQGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072613
s1c2CCCc2cc1C(=O)NNC(=O)c1c(c(ccc1)C)C	PC-id_26872784	314.402	DABLQLYJGQPLQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072614
s1c2CCCc2cc1C(=O)NNC(=O)c1c(cc(cc1)C)C	PC-id_27684486	314.402	OOKFPTXTZIZHCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072615
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(CC)cc1	PC-id_27684478	314.402	TUZOMQZLUUOAQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072616
s1c2CCCc2cc1C(=O)NNC(=O)Cc1c(cccc1)C	PC-id_27684588	314.402	ATPWWAYYIRKMQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072617
s1c2CCCc2cc1C(=O)NNC(=O)CCc1ccccc1	PC-id_27684423	314.402	XMNDGDFGGHYYJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072618
s1c2c(CCC2)c(c1N/C=C
/C(=O)C(=CC(=C1)C)C)C(=O)N	PC-id_50886058	314.402	DHLYGZYEKSVZBV-DHZHZOJOSA-N	00000010100011000000000010000000000000000000000000000000	25-01-072619
s1c2c(CCC2)c(c1NC=C1C(=O)C(=CC(=C1)C)C)C(=O)N	PC-id_75574407	314.402	DHLYGZYEKSVZBV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-072620
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)C)C(=O)N	PC-id_41616148	314.402	BMIXSXXTFZRCQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072621
CC1CC(c2n1ccn2)NS(=O)(=O)N1CCOC(C1)(C)C	EMOLS-id_101318452	314.404	KKXYEGKMRMWRHR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072622
CC1(C)OCCN(C1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319260760	314.404	VTXJESPJFXCFDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072623
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1CCCCO1	EMOLS-id_98765466	314.404	FCUUHAUJJCANGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072624
CC(CS(=O)(=O)CC(=O)NC(c1nnc2n1CCC2)C)C	PC-id_45827182,MCULE-4207851660,EMOLS-id_31977078	314.404	QUQMRBQDATVRCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072625
CC(CS(=O)(=O)CC(=O)N[C@H](c1nnc2n1CCC2)C)C	PC-id_94028650	314.404	QUQMRBQDATVRCA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-072626
CC(CS(=O)(=O)CC(=O)N[C@@H](c1nnc2n1CCC2)C)C	PC-id_94028651	314.404	QUQMRBQDATVRCA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072627
C[C@H]1CCO[C@H]1CS(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318984659	314.404	CUYJMHDVLLFXLP-JRUYECLLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072628
C[C@@H](CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)O	EMOLS-id_100594918	314.404	YNQNSDIPASAYQV-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-072629
CC(N1CCOCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173941	314.404	SBFYRQXRNHUMES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072630
CC(NS(=O)(=O)c1cnc2n1CCC2)CN1CCOCC1	EMOLS-id_100201191	314.404	CEKYTVUVHKCIBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072631
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1nnc2n1CCC2	EMOLS-id_319801591	314.404	STYDVODTYHNWMW-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-072632
CCS(=O)(=O)N1Cc2c(C1)n(nc2CN1CCOCC1)C	PC-id_97413577	314.404	OCSLOWYZAPLTCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072633
CN(S(=O)(=O)c1cnc2n1CCC2)CCN1CCOCC1	EMOLS-id_100224673	314.404	RJCUGYMCNKCUHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072634
CN(S(=O)(=O)NCc1n[nH]c2c1CCC2)C1CCOCC1	MCULE-2563009517,EMOLS-id_320191628	314.404	OQUQQTFURXXWQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072635
COCC1(CCCN1)CNS(=O)(=O)c1cnc2n1CCC2	PC-id_121710086,EMOLS-id_303038048,MCULE-3997773794	314.404	AZVQHYIXKNGKQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072636
O=S(=O)(c1cnc2n1CCC2)NCCN1CCOCCC1	EMOLS-id_101175648	314.404	HPOUDXULNSGWMK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-072637
c1(ccnn1C(C)(C)C)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5399085321,EMOLS-id_328182413	314.405	SOXAOYRTSYBISE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072638
c1(NC(=O)c2c(C)n(nc2C)CC)sc2c(CCC2)c1C#N	ZINC22_2780245,CoCoCo_6579728,PC-id_4770723,MCULE-2938973262,EMOLS-id_3999884,TIMTEC243485	314.405	JNLNBBLOTLZGHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072639
CCCc1nc2s/c(=Cc3ccc(cc3)N(C)C)/c(=O)n2n1	EMOLS-id_324843758	314.405	JNIYTUQGNCGGJY-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072640
CC(C)c1nc2s/c(=Cc3ccc(cc3)N(C)C)/c(=O)n2n1	EMOLS-id_324845800	314.405	YYRQBLHNLFDLAD-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-072641
CCN(CC)c1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1	EMOLS-id_324840429	314.405	CHTKUHILBHDYQE-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072642
CCN(CC)c1ccc(/C=c/2sc3nnc(C)n3c2=O)cc1	ZINC22_13547549	314.405	GSGGWKQLGLSEPQ-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072643
n12c(=O)c(=Cc3ccc(N(C)C)cc3)sc1nc(C(C)C)n2	MCULE-6180922582	314.405	YYRQBLHNLFDLAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072644
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)CCC	MCULE-6279930007	314.405	JNIYTUQGNCGGJY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072645
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)C	MCULE-7868484402	314.405	CHTKUHILBHDYQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072646
N#Cc1c(NC(=O)Cc2c(C)nn(c2C)C)sc2c1CCC2	EMOLS-id_318716958	314.405	VXNHQPVYIOBTPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072647
N#Cc1c(sc2c1CCC2)NC(=O)c1cc(nn1C)C(C)C	EMOLS-id_318683026	314.405	KKJOOZFAMGVORP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072648
O=C1CCCN1c1ccc(nc1)NCc1sc2c(n1)CCC2	MCULE-3578628348,EMOLS-id_318169076	314.405	RUXNYOZTCDAZTK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-072649
O=C(c1cc2c([nH]1)ccn2C)NCCc1sc2c(n1)CCC2	EMOLS-id_319808302	314.405	VDUUTNYQHKRSJQ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-072650
O=C(c1cc2c(s1)CCC2)N1CCN(c2cnccn2)CC1	PC-id_33112393,ZINC22_25834218,EMOLS-id_35692428,MCULE-7233199656	314.405	UJKUMTOXUIJRNW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072651
O=C(c1cc2c(s1)CCC2)N1CCN(c2ncccn2)CC1	ZINC22_8134430,EMOLS-id_43799549,MCULE-3570176379,PC-id_9269194,CoCoCo_3175925	314.405	LPJAVFIJNXJMDC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072652
O=C(c1cccnc1N1CCCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318492776	314.405	LQSKSLFBQAWPRG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-072653
O=C(c1ccc(nc1)N1CCCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318731229	314.405	YMMUHROGWVDJPS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-072654
O=C(c1nccc(c1)N1CCCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318663918	314.405	OQTNWJDJKIBFNG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-072655
O=C(c1sc2c(c1)CCC2)Nc1cncnc1N1CCCC1	EMOLS-id_317937863	314.405	WRMYXBQIZRMGPQ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-072656
S1C(C(=O)n2c1nnc2)C=Cc1ccc(N(CC)CC)cc1	PC-id_18891889	314.405	FCRHTYMLTNVGJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072657
c1([nH]c(nc1C)CC)c1nccn1Cc1cn2c(SCC2)n1	PC-id_56873645,ZINC22_71752816,EMOLS-id_43194827,MCULE-9835309157	314.409	AERIYBFRXFCWQN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072658
CCOC(=O)C1Sc2c(C1C)c(c(s2)C(=O)OCC)C	PC-id_71216888,SCHEMBL14615745	314.42	UBCYXGVTYGLZGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072659
S1(c2sc(c(c2C(=C1C(=O)O)C)C)C(=O)O)(CC)CC	PC-id_57361523	314.42	WWFYMBNEOONWFI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-072660
CCCCCCn1c(c2CN(Cc2c1O)Cc1ccccc1)O	PC-id_91081531	314.422	CZCXHZMFPMDCDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072661
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CO	MCULE-1535302226,EMOLS-id_330992570	314.422	PHLYIXOWOWHMQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072662
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CO	MCULE-6038700346,EMOLS-id_330992058	314.422	MKZMDLVALMXXJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072663
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1CO	MCULE-4086911660,EMOLS-id_330991294	314.422	WHCVRXCQTYDIRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072664
C[C@@H](CO)SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_79089789	314.424	QTKLLYNACYDAAW-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072665
C[C@H](CO)SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_79089794	314.424	QTKLLYNACYDAAW-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072666
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)NC1CCCC1	PC-id_97524510	314.424	FQHOYDWXVCPEIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072667
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)S(=O)(=O)C	PC-id_51252179,EMOLS-id_110472079	314.424	IULFGRBQMCQSHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072668
O=C(NCCc1nc2CCCc2s1)C1CCS(=O)(=O)C1	PC-id_119065978,EMOLS-id_82719695,MCULE-6069968183	314.424	QCSJHQAWNLQKPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072669
O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_426503038	314.424	QCSJHQAWNLQKPV-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072670
O=C(NCCc1nc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_426503041	314.424	QCSJHQAWNLQKPV-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-072671
O=C(NCCN1CCCS1(=O)=O)c1cc2c(s1)CCC2	ZINC22_61598360,PC-id_49067823,MCULE-3761036660,EMOLS-id_44505462	314.424	UIACICIWQCQDBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072672
s1c2c(CCC2)c(c1NC(=S)NCCOC)C(=O)OC	PC-id_8748145	314.424	ZEHXUWZTKYRDPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072673
S(=O)(=O)(N1CCCCC1)NC(=O)c1sc2CCCc2c1	PC-id_71887645	314.424	JHEKRKZACZWOMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-072674
S(=O)(=O)(N)C1CCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_60767831	314.424	VSYQXBSWXRMSJE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-072675
c1(NC(=O)c2ccc(cc2)SC)sc2c(CCC2)c1C#N	MCULE-8133374030,PC-id_7266950,CoCoCo_5142075,EMOLS-id_5570326,ZINC22_4517615	314.425	MWXFTCKQFFNPJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072676
c1(NC(=O)c2cccc(SC)c2)sc2c(CCC2)c1C#N	PC-id_7266884,EMOLS-id_5570172,ZINC22_4517496,CoCoCo_5141955,MCULE-9358108849	314.425	KYCFEAKUDCPRIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072677
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_3062389,MCULE-7753352770,CoCoCo_1075387,TIMTEC473860,PC-id_2132354,ZINC22_2679190	314.425	UEGKKIUWPFOOKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072678
Cc1c(cccc1COC(C)(C)C)NC1CC(n2c1ncn2)C	EMOLS-id_279084429	314.425	SBBVIXGDZUUJOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072679
Cc1ccc(c(c1)OC(C)(C)C)CNC1CC(n2c1ncn2)C	MCULE-2574810537,EMOLS-id_318610696	314.425	HMVPFHFQIGJLDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072680
Cc1nn2c(c1CC[C@H](n1c(C)nccc1=O)C)[C@@H](C[C@@H]2C)C	SCHEMBL19250911	314.425	IBKDOMAXBZEYNY-UPJWGTAASA-N	00000010100000100001000010000000000000000000000000000000	25-01-072681
CC(c1nn2c(c1)CCC2)NCC(c1ccco1)N1CCCC1	MCULE-6953987633,EMOLS-id_177310519	314.425	JEEWGUYAIZVIDM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072682
C=CCSc1cc2n(c1C(=O)c1cccs1)CCC2C#N	SCHEMBL10818772,PC-id_70450902	314.425	HDKLKSXOFFZWGL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072683
C=CCSc1cc2n(c1C(=O)c1cscc1)CCC2C#N	SCHEMBL10818899,PC-id_70450948	314.425	MYTDGNGWBJMBDF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072684
C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1cc2n(n1)CCC2	ZINC22_414051281	314.425	JEEWGUYAIZVIDM-PBHICJAKSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072685
C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1cc2n(n1)CCC2	ZINC22_414051283	314.425	JEEWGUYAIZVIDM-RHSMWYFYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072686
C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1cc2n(n1)CCC2	ZINC22_414051285	314.425	JEEWGUYAIZVIDM-WMLDXEAASA-N	00000010101000000001000010000000000000000000000000000000	25-01-072687
C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1cc2n(n1)CCC2	ZINC22_414051287	314.425	JEEWGUYAIZVIDM-YOEHRIQHSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072688
COc1ccccc1C(NC1CC(n2c1ncn2)C)CC(C)C	MCULE-7793432832,EMOLS-id_320176257	314.425	HLIDOOFJLAVAQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072689
CSc1ccccc1C(=O)Nc1sc2CCCc2c1C#N	MCULE-4092914516,EMOLS-id_322823201,PC-id_7565003	314.425	FQWARNXXWBKKTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072690
N#CC1(CCC(CC1)C(C)(C)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111342922	314.425	HRUDLNATZQADQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072691
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)c1cccc[nH+]1	GD-id_ZINC14230580	314.425	MWOIBHHMHNEJLJ-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-072692
OCC(C(c1ccccc1)CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_319871528	314.425	PKTFFTWPBRFFIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072693
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1cc[nH+]cc1	PC-id_9254439	314.425	IMSMHONWGJAYRF-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-072694
CC(c1nc(NCc2nnc3n2CCC3)cc(n1)C(C)(C)C)C	MCULE-4935199919,EMOLS-id_318706736	314.429	SYAKHXVMNYLQKJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072695
CC(C)c1n[nH]c2c1CNC2CC(C)c1n[nH]c2c1CN(C2)C	SCHEMBL20462823,PC-id_135296141	314.429	BHMVRGKXEAOJCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072696
CN(Cc1cn(C)nc1C1CCCC1)Cc1nnc2n1CCC2	ZINC22_891544773,PC-id_136568122,EMOLS-id_316970458,MCULE-2108885179	314.429	KPWQGBUPTWKVQC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-072697
c12CN(Cc1sc(C(=O)Nc1ccccc1CC)c2)C(C)C	PC-id_53171035,EMOLS-id_32995622,MCULE-6048933520	314.445	KTFLCLOZMHYBFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072698
c12CN(Cc1sc(C(=O)Nc1ccc(c(C)c1)C)c2)C(C)C	MCULE-4619812326,EMOLS-id_32995558,PC-id_53171003	314.445	AXTIZVDOHGECCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072699
c1ccc([C@H]2OCC[C@@H]2CNCc2nc3c(s2)CCC3)cc1	EMOLS-id_112045383,MCULE-4090444689,ZINC22_93076843	314.445	OOVYBKPGPMZVAB-RDTXWAMCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072700
CC(=C)COc1ccc(cc1)C(Cc1sc2c(n1)CCC2)N	PC-id_112457138	314.445	LEHJHDAKIDDREC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072701
CC([C@@H]1Cc2c(C1)c(sc2C(=O)NCc1ccccn1)C)C	PC-id_143171974	314.445	XHCXTWFJHVPAFX-ZDUSSCGKSA-N	00000010100000101000000010000000000000000000000000000000	25-01-072702
CN(c1ccc(c(c1)C)CNC(=O)c1sc2c(c1)CCC2)C	PC-id_86956585	314.445	DPDNFLLPLBWDTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072703
CN(C)Cc1cccc(CNC(=O)c2cc3c(s2)CCC3)c1	ZINC22_33084730,MCULE-5699491341,PC-id_40275149,EMOLS-id_44527316	314.445	HMUIEEJOSBSFKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072704
COc1cccc(c1)C1(CNCc2sc3c(n2)CCC3)CC1	EMOLS-id_318138325	314.445	KJQUFFVGNMYXEK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072705
NCCCN(C(=O)c1sc2c(c1)CCC2)Cc1ccccc1	PC-id_120650004,EMOLS-id_302408755,MCULE-6367019131	314.445	KPYXAKSZGCODGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072706
NCCN(C(=O)c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_120885128	314.445	REJRJHNXDLSDHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072707
O1CCC(CC1)(NCc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318173943,MCULE-6077819469	314.445	XVNLTGLIUWIFRA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072708
O1CCN(CC1)c1cccc(c1)CNC1CCc2c1scc2	EMOLS-id_318378466,MCULE-7254265025	314.445	OOUMQXQJEDCZGZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072709
O1CCN(CC1)c1ccccc1CNC1CCc2c1scc2	EMOLS-id_318656783,MCULE-5782924672	314.445	LFFPWOBGXSUVMW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072710
OC1(CCCN(C1)Cc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318609993	314.445	UFKHJMCHSGCMOK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072711
O=C(c1sc2c(c1)CCC2)NCC(c1ccccc1)N(C)C	PC-id_86977078	314.445	PBELLHPGFMOIPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072713
O=C(Cc1nc2c(s1)CCC2C(C)C)NCc1ccccc1	PC-id_70792347,SCHEMBL12877248	314.445	AKSXRJMXTJKYRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072714
s1c2CCCc2cc1C(=O)Nc1ccc(N(CC)CC)cc1	PC-id_26086931	314.445	LHLPZARDTJLOAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072715
s1c2CCCc2cc1C(=O)NCc1ccc(CN(C)C)cc1	PC-id_9537418	314.445	KYVRBIFSFBNCHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072716
s1c2CCCc2cc1C(=O)NCc1c(CN(C)C)cccc1	PC-id_8140160	314.445	CAYUHDMZCVMNDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072717
s1c2CCCc2cc1C(=O)NC(CN(C)C)c1ccccc1	PC-id_84876568	314.445	ZNJCGAYIEZCFLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072718
s1c2CCCc2cc1C(=O)N[C@@H](CN(C)C)c1ccccc1	PC-id_8937034	314.445	ZNJCGAYIEZCFLV-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072719
s1c2CCCc2cc1C(=O)N[C@H](CN(C)C)c1ccccc1	PC-id_8937037	314.445	ZNJCGAYIEZCFLV-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072720
s1c2CN(Cc2cc1C(=O)Nc1c(cc(cc1)C)C)C(C)C	PC-id_53171002	314.445	OPTPJWJUIXJPOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072721
s1c2CN(Cc2cc1C(=O)NCc1c(cccc1)C)C(C)C	PC-id_53171017	314.445	DQULHORLYJUAJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072722
s1c2CN(Cc2cc1C(=O)NCc1cc(ccc1)C)C(C)C	PC-id_53171025	314.445	LXJMCIKCCGRUPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072723
CC1(C)CCc2c1nc(s2)NS(=O)(=O)c1cccs1	EMOLS-id_317980102	314.447	REEFNXIPXWCWOC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072724
CC1(C)CCc2c1nc(s2)NS(=O)(=O)c1cscc1	EMOLS-id_317926613	314.447	RMBFLXSGBIILAY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072725
Cc1cc(c(s1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_318669963	314.447	OIZOBXIBONMXNS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072726
Cc1sc(cc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318618602	314.447	PQTPRJLGYLKYGK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072727
CC(c1nnc2n1CCC2)NS(=O)(=O)CCCC(C)(C)C	EMOLS-id_318019700	314.447	KVHXXIXNWIBNQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072728
CS(=O)(=O)c1ccc(s1)CNc1sc2c(n1)CCC2	EMOLS-id_318592037,MCULE-1346605972	314.447	BSVLOSDVVSJZLB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072729
s1c2c(CCC2)cc1CNS(=O)(=O)c1scc(N)c1	PC-id_61301551	314.447	DPUBLXRZEWLISP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072730
c1ccc(nc1)N1CCC(CC1)NCc1sc2c(n1)CCC2	MCULE-1334713102,EMOLS-id_318498975	314.448	XEXFAOPGCOJGLR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-072731
c1ccc(nc1)NC1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318584363,MCULE-5155808681	314.448	LDQSKEUEUIIEEX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-072732
C1CC(CNC2CCc3c2scc3)CN(C1)c1ncccn1	MCULE-9063084359,EMOLS-id_318411721	314.448	BLCQUEXIZYRRTK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072733
Cc1cc(CNC2CCc3c2scc3)nc(n1)N1CCCC1	EMOLS-id_318683386,MCULE-6230331244	314.448	OSMKWDXJKMOWJD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-072734
Cc1ccc(nn1)N1CCCC(C1)NC1CCc2c1scc2	EMOLS-id_318608408	314.448	DGRFGOAMKUEQQM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-072735
CC1CSCC1Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318213925,MCULE-2802550034	314.448	FQPFVEREOGDXOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072736
CC1SCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318191460,MCULE-3480823871	314.448	YKMARSOXZFHHCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072737
n1ccc(cc1)N1CCC(CC1)NCc1sc2c(n1)CCC2	MCULE-1501111937,EMOLS-id_318710082	314.448	QQUTVRPMBPYFJY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-072738
S1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-8953042192,EMOLS-id_318181635	314.448	PUBJILRBCLHCCM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-072739
S1CCN(CC1)Cc1cccc(c1)NC1CCn2c1ncc2	EMOLS-id_318210094,MCULE-8968233180	314.448	ZOLVWYFVYWONFE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-072740
Cc1cc2c(o1)C(=[Si](c1ccccc1)c1ccccc1)C(=C2)C	PC-id_69821233,SCHEMBL6546933	314.453	XLIABROJKFHAEK-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-072741
Cc1oc2c(c1)C(=[Si](c1ccccc1)c1ccccc1)C(=C2)C	PC-id_69821384,SCHEMBL6548468	314.453	KWHWHSKJGXUWCN-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-072742
OC(C1CCCC(C1)S(=O)(=O)C)c1sc2c(c1)CCC2	PC-id_115822023	314.463	HAQFIMISHOKYMA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-072743
CCC(CNc1nc2c(s1)CCC2C(=O)O)(SC)CC	PC-id_105830044	314.467	IIBFUYVHBADFDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072744
CCOC(=O)C1CCc2c1nc(s2)NCCC(SC)C	PC-id_116255357	314.467	LEBQSCLAFSGFPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072745
CCOC(=O)C1CCc2c1nc(s2)NCC(SC)(C)C	PC-id_116142522	314.467	IHNPJGATNLVERT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072746
CCSCC(Nc1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_116293208	314.467	JLGZDIFPFLUKMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072747
CSCCCCCCNc1nc2c(s1)CCC2C(=O)O	PC-id_105901224	314.467	KPVQEDSRIRMQRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072748
CSCCCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_116211753	314.467	GJJSEBQBVAKOET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072749
CSCC(CNc1nc2c(s1)CCC2C(=O)OCC)C	PC-id_104288747	314.467	CEAGOMDODPIZKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072750
CSCCC(Nc1nc2c(s1)CCC2C(=O)OCC)C	PC-id_116134586	314.467	ATEIPGCXNNNQLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072751
CSCC(N(c1nc2c(s1)CCC2C(=O)OCC)C)C	PC-id_104289251	314.467	UXZRUVUYVGGHMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072752
CSCC(Nc1nc2c(s1)CCC2C(=O)OCC)CC	PC-id_116262535	314.467	LSFSUXKIVBRMJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072753
CCSc1cccc(c1C#N)NCc1sc2c(c1)CCC2	PC-id_104200572	314.468	MDFNZXFTIUIGFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072754
CCCCCCCCCC(=O)c1sc2c(c1F)CSC2	SCHEMBL16939017,PC-id_118258932	314.482	GIJHRHJULNAGDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072755
Clc1cc(cnc1NN=C1CCn2c1ccc2)C(F)(F)F	EMOLS-id_300798241,PC-id_71943466,MCULE-7556023757	314.694	WMUBIPKWWRREHJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-072756
FC(F)(F)c1cnc(N/N=C/CCn3cccc23)c(Cl)c1	ZINC22_55349839,PC-id_75361362	314.694	WMUBIPKWWRREHJ-GRSHGNNSSA-N	00000010100000101000000010000000000000000000000000000000	25-01-072757
FC(Oc1cc(Cl)ccc1NC1CC(n2c1ncn2)C)F	EMOLS-id_318387448,MCULE-6287060836	314.718	BVGMBDAURUBXMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072758
CCOC(=O)n1nc2c(c1NC(=O)C)CN(C2C)C(=O)Cl	PC-id_143492453	314.725	JCVNUYZEUAUQAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072759
O=C(c1cn(c2ccccc2Cl)nn1)N1Cc2c[nH]nc2C1	ZINC22_1450055082	314.73	JFPHCYXUDIYHEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072760
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)C(F)(F)F	EMOLS-id_330974704,MCULE-1064655905	314.733	MORIMGQHYRGOKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072761
c12C(C)CCc1nn(Cc1ccc(cc1Cl)C(F)(F)F)c2	EMOLS-id_330999466,MCULE-2962620585	314.733	UCDRVOJXEIMFDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072762
c12C(C)CCc1nn(Cc1ccc(c(Cl)c1)C(F)(F)F)c2	MCULE-1875171298,EMOLS-id_330997931	314.733	GITIGPFRGQOZSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072763
CC1CCc2c1c(Cl)nn2Cc1ccccc1C(F)(F)F	EMOLS-id_330977008,MCULE-7643155871	314.733	GIAADBFHVAMARH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072764
CC1CCc2c1c(Cl)nn2Cc1cccc(c1)C(F)(F)F	MCULE-4843872496,EMOLS-id_330974961	314.733	XZZYCBGKVMAKQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072765
CC1CCc2c1cnn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-8914461092,EMOLS-id_331017708	314.733	LENCTJNHXLKVSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072766
CC1CCc2c1cnn2Cc1ccc(c(Cl)c1)C(F)(F)F	MCULE-2033311299,EMOLS-id_331016173	314.733	SIHIBYOFNSUPFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072767
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(Cl)c12	MCULE-3561319788,EMOLS-id_331019437	314.733	MQOJMHVOZNHECO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072768
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(Cl)c12	MCULE-5547845978,EMOLS-id_331021485	314.733	XNSXZWCYKWHZJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072769
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(Cl)c12	MCULE-5618109860,EMOLS-id_331021228	314.733	CBWUYIIJVBPSMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072770
C1C(c2c[nH]c(=S)n2C1(O)O)Cc1c(ccc(c1)Cl)F	PC-id_134376968,SCHEMBL20005741	314.763	SFYCQMQJZSYQIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072771
Clc1cc(ccc1F)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318615010	314.763	DNZPRMSQBMXWDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072772
Clc1c(F)cccc1CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318519225	314.763	LXZFHAKXDYVNNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072773
Fc1ccc(c(c1)Cl)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318604739	314.763	IBZUAJTUEVIQBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072774
Fc1cccc(c1CS(=O)(=O)c1[nH]c2c(n1)CCC2)Cl	EMOLS-id_318561941	314.763	SSZXEHDXBCVDGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072775
ClC(=Cc1ccccc1)/C=N/NC(=O)c1n[nH]c2CCCc12	PC-id_9666373	314.769	CTJRRWPMFKKTNH-QTXNJFPPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072776
C1Cc2c(C(=O)NN=CC(=Cc3ccccc3)Cl)n[nH]c2C1	MCULE-2939989525,PC-id_3372993	314.77	CTJRRWPMFKKTNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072777
Cl/C(=Cc1ccccc1)/C=N/NC(=O)c1n[nH]c2c1CCC2	SPECS-id_AT-225/NB41647	314.77	CTJRRWPMFKKTNH-QHSPSIEVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072778
Clc1ccc(cc1)c1nnn(c1C)Cc1nnc2n1CCC2	MCULE-9637381906,EMOLS-id_320037109	314.773	KEMPDOMRKNOEHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072779
ClC(c1sc2c(CCC2)c1)c1c(F)cc(OC)cc1F	PC-id_63427638	314.778	RQUBOYHWHOKMMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072780
Clc1ccc(cc1)S(=O)(=O)Nc1nc2CCCc2s1	PC-id_5152704,EMOLS-id_181478492,MCULE-2465624229	314.811	IPFKCQKQCGBCDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072781
Clc1ccccc1S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318476828	314.811	UPSNKSLPROLBPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072782
Clc1cccc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318630818	314.811	CVKIKUHDQRGHCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072783
OC(=O)C1CCc2c1nc(s2)NCc1ccc(s1)Cl	PC-id_104288959	314.811	XRPGEYCRKHYMRU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072784
O=C(N1CCOCC1)CCNC1CCc2c1cc(s2)Cl	PC-id_115888836	314.831	LETJSIDGIJCXIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072785
O=C(N1CCOCC1)C(NC1CCc2c1cc(s2)Cl)C	PC-id_115889705	314.831	HIAFDSYOXSMBON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072786
Clc1sc2CCC(Nc3cc(n4cccc4)ccc3)c2c1	PC-id_81233750	314.832	SXLYYCCDCXXSRE-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-072787
ClC(c1sc2c(CCC2)c1)c1cn(nc1)c1ccccc1	PC-id_61084401	314.832	VRBJSWJLNJZBFZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072788
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006398,MCULE-5526252438	314.852	LZDVEDUNAAOWMI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072789
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1CCl	MCULE-1228403904,EMOLS-id_331008447	314.852	UDDCHDGKKQHXKJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072790
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1CCl	MCULE-8369110860,EMOLS-id_331008187	314.852	GFMKSPDEDWLQPO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072791
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1Cl	MCULE-1508085733,EMOLS-id_330956982	314.852	XQZNKRXBJXQCOF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-072792
Clc1ccc(s1)C(CNCc1sc2c(n1)CCC2)O	PC-id_109948677	314.854	BDMANETXURWOSF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072793
Clc1sc2c(C(NC(CC(C)C)C(=O)N(C)C)CC2)c1	PC-id_81251721	314.874	VYMJSLRPVIRWQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072794
Clc1sc2c(C(NCC(N3CCOCC3)(C)C)CC2)c1	PC-id_81252774	314.874	XKDJDDNWNOCOAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072795
Clc1sc2c(C(NC(CCCN(CC)CC)C)CC2)c1	PC-id_81252668	314.917	ZDUQJDBLBPQREF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072796
Clc1sc2c(C(NCC(N(C)C)C(CC)CC)CC2)c1	PC-id_81252272	314.917	FODZAHDVNFSBKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072797
C1CN2C(=NC(=N2)Br)C1OC3=CC(=CC(=C3)F)F	PC-id_153606645	314.982	MGERADVDYZUWRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072798
c12N(CCn1nc(Br)c2N(=O)=O)CC(F)(F)F	EMOLS-id_320440600,MCULE-3941296402	315.047	VUVXUGZVMWDLHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072799
CC1(C2=C(CN1C(=O)OC(C)(C)C)C(=NN2)Br)C	MCULE-7079467053,PC-id_154728664,EMOLS-id_331216831	315.058	NTFNXESZSCGDTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072800
C1CC(C1)C2=NC(=CO2)C(=O)NC3=C(N4CCSC4=N3)C#N	MCULE-8056659400,PC-id_154754693,EMOLS-id_257882327	315.079	QYQJOFJAUVSTDK-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-072801
CC1=CC=CC=C1C(=O)C2=C(SC3=C2CC(C3)C(=O)OC)N	PC-id_165010034	315.093	KYTLORFYPWYRJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072802
CCC
=NN2C(=NN=C2C(C)(C)C)/C1=CC3=CC=C(O3)[N+](=O)[O-]	PC-id_148272752	315.133	KTVXANWAKLZVHS-NTMALXAHSA-N	00000000101000000001000010000000000000000000000000000000	25-01-072803
CC1=C(C=CN=C1)OC2CCN(C2)CC3=NC4=C(S3)CCC4	EMOLS-id_331205320,PC-id_155975760,MCULE-4074528150	315.141	UHIUVVFOMIIKSW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072804
Brc1oc(C(=O)Nc2onc3c2CSC3)cc1	PC-id_49720093	315.143	XAPGRBRYIMVUHX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072805
Brc1ccc(o1)C(=O)Nc1nnc2n1CCS2	CoCoCo_2590544,PC-id_22582984,CHEMBL1503999	315.146	ZESHXTLJIOCCNH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-072806
CC(C)(C)C1C(=N)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)F)N1	PC-id_152284725	315.15	WMBNUUKARDUTSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072807
Brc1ccc(/C=C(c2n3CCCc3nn2)/C#N)cc1	CoCoCo_3713047,PC-id_75363043	315.168	ZEDQFHGPTSWYHL-FLIBITNWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072808
Brc1ccc(C=C(c2n3CCCc3nn2)C#N)cc1	PC-id_4243287,EMOLS-id_44488937,MCULE-4308358148	315.168	ZEDQFHGPTSWYHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072809
Brc1ccc(/C=C(/c2n3CCCc3nn2)C#N)cc1	PC-id_6046763,CoCoCo_3713046	315.168	ZEDQFHGPTSWYHL-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072810
Clc1cc(Cl)cc(c1)C(=O)Nc1onc2c1CSC2	PC-id_49719010,GD-id_ZINC44449697	315.175	LAUPJNZVZLNNLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072811
Clc1c(C(=O)Nc2onc3c2CSC3)ccc(Cl)c1	PC-id_49719051	315.175	IPYXUBKEKLONRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072812
Clc1c(C(=O)Nc2onc3c2CSC3)cc(Cl)cc1	PC-id_49719052	315.175	GGVODBHSQJYNCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072813
CC(C1=NC2=C(S1)CCC2)NCC3=C(C=CN=C3)C(C)(C)C	PC-id_154775767,MCULE-8797823525	315.177	UMNLOXRCPXZJSY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072814
c1(nnc2SCCn12)NC(=O)c1ccc(cc1Cl)Cl	ZINC22_10609757,PC-id_41576357,MCULE-9229890217,CoCoCo_5085677,EMOLS-id_12159699	315.178	KJCXQLWUOHZKML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072815
c1(nnc2SCCn12)NC(=O)c1cc(Cl)ccc1Cl	MCULE-1839613644,ZINC22_10609765,EMOLS-id_12159701,PC-id_41576363,CoCoCo_5085678	315.178	SHEJLLHHQWDHEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072816
Clc1nnc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_108096849	315.178	NRBWPVHJAMRFPW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072817
BrC(C(C)C)C(=O)N(Cc1n2CCCc2nn1)C	EMOLS-id_315198621,PC-id_54875383	315.209	TWFYZMQAMVZMSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072818
BrC(C(C)C)C(=O)NC(c1n2CCCc2nn1)C	PC-id_43696341	315.209	UQJKXTQEYSLPNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072819
BrCCCCC(=O)NC(c1nnc2n1CCC2)C	PC-id_107908586	315.209	DNLSHBMJWCKJLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072820
BrCCCCC(=O)N(Cc1nnc2n1CCC2)C	PC-id_114014863	315.209	HVODTEWNNIOQAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072821
C1(C)(C(=O)Nc2sc3c(CCC3)c2C#N)CC1(Cl)Cl	PC-id_4318817,MCULE-8774883599,TIMTEC605082,EMOLS-id_5126974	315.218	ZUVAGOPSPSRPTG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-072822
C[C@@]1(C(=O)Nc2sc3c(c2C#N)CCC3)CC1(Cl)Cl	CoCoCo_5829413,PC-id_7027994,ZINC22_2761390	315.218	ZUVAGOPSPSRPTG-LBPRGKRZSA-N	00100010100000000000000010000000000000000000000000000000	25-01-072823
C[C@]1(C(=O)Nc2sc3c(c2C#N)CCC3)CC1(Cl)Cl	PC-id_7027995,ZINC22_2761391,CoCoCo_5829414	315.218	ZUVAGOPSPSRPTG-GFCCVEGCSA-N	00100010100000000000000010000000000000000000000000000000	25-01-072824
Clc1cnc(c(c1)Cl)NCCc1cn2c(n1)SCC2	MCULE-9908626518,EMOLS-id_318229654	315.221	BTXYGJNALGYNKO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072825
CCCCCCc1c(Br)sc2c1C(=O)CC2=O	PC-id_139254643	315.226	YWOUBSIKGNPWQY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072826
ClC(c1sc2c(CCC2)c1)c1cc(c(F)cc1Cl)C	PC-id_81050886	315.233	HYORYFHBHGUYNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072827
ClC(c1sc2c(CCC2)c1)Cc1c(Cl)cccc1F	PC-id_63518816	315.233	BJTAOUWGGRDRFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072828
O=C1n2c(/C(=N/Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3)/C1)ccc2	PC-id_49794001	315.241	UYHFZRZZBRQKAU-XNTDXEJSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072829
O=C1n2c(C(=NNc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3)C1)ccc2	PC-id_75295318	315.241	UYHFZRZZBRQKAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072830
[O-][N+](=O)c1cc(ccc1N/N=C
/CC(=O)n2c1ccc2)[N+](=O)[O-]	PC-id_102484123	315.241	UYHFZRZZBRQKAU-GDNBJRDFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072831
Fc1ccccc1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324910598	315.246	CWXQUMBNOIZEOS-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-072832
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324909574	315.246	NOFFZTAVRNNWMD-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-072833
Fc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324907529	315.246	CZKGRDTYLWGHIK-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-072834
n12c(=O)c(=Cc3ccccc3F)sc1nc(C(F)(F)F)n2	MCULE-7287450556	315.246	CWXQUMBNOIZEOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072835
n12c(=O)c(=Cc3cccc(F)c3)sc1nc(C(F)(F)F)n2	MCULE-2987825036	315.246	CZKGRDTYLWGHIK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072836
n12c(=O)c(=Cc3ccc(F)cc3)sc1nc(C(F)(F)F)n2	MCULE-9533361329	315.246	NOFFZTAVRNNWMD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072837
CCOC(=O)c1cc2c([se]1)C(N(C2(C)C)[O])(C)C	PC-id_101507338	315.247	DGKJWOGNPPLMRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072838
Brc1cscc1C(c1sc2c(c1)CCC2)O	PC-id_115819994	315.249	AVTKRVNRDHWUEP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072839
Brc1c(scc1)C(O)c1sc2c(CCC2)c1	PC-id_80535921	315.249	SYFHWJLVOUVVGH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072840
Brc1sc(C(O)c2sc3c(CCC3)c2)cc1	PC-id_61082117	315.249	DAWMWVWOBZGDTB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-072841
Cc1noc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_1413847735,PC-id_146142176	315.251	CKWSCEKBKRXWKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072842
Cc1no[nH]c1=NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_1875275905	315.251	LWWNKYBDPODIOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072843
Brc1cc(sc1)C(N)c1sc2CCCc2n1	PC-id_61346815	315.252	USDZCVOAMLFOSO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072844
Brc1csc(n1)NCc1sc2c(c1)CCC2	EMOLS-id_42240009,PC-id_79399624	315.252	YYTNPXGCEHXJJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072845
Brc1sc2c(c1)C(CC2)NCc1nccs1	MCULE-9238493984,EMOLS-id_317920559	315.252	YEERTYZGABVZBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072846
Brc1sc(C(N)c2sc3CCCc3n2)cc1	PC-id_61347400	315.252	KYOXLBUPMBVUFF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072847
Cn1nnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	MCULE-4662096490,EMOLS-id_324065900,ZINC22_1775169265,PC-id_145905608	315.254	JAUKUUYMXUYWSQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072848
NC1CCC(CC1)NC1CCc2c1cc(s2)Br	EMOLS-id_71137141,PC-id_121680757,MCULE-6000905311	315.272	VCURGBUGPHTBBX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-072849
O=C(c1c[nH]nc1c1c(F)cccc1F)N1Cc2c[nH]nc2C1	EMOLS-id_316809862,ZINC22_646347480,MCULE-9814079342	315.278	PCOOIXWPVKMCDS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072850
s1c2c(CCC2)c(c1NS(=O)(=O)C(F)(F)F)C(=O)O	PC-id_43361569	315.289	ZUAGDCYFWIQVPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-072851
COc1cc(F)cc(c1S(=O)(=O)N1Cc2c(C1)cn[nH]2)F	EMOLS-id_316617530	315.296	GGXPFDPGWAWLFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072852
COc1c(F)cc(cc1F)S(=O)(=O)N1CCn2c1ccn2	MCULE-8383850781,EMOLS-id_316292771	315.296	JQFJUJPNFHMNPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072853
FC(Oc1ccccc1S(=O)(=O)N1CCn2c1ncc2)F	MCULE-2565522198,EMOLS-id_320122157	315.296	LEZLUEZYOCDMHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072854
Fc1cccc(c1)C(=O)N1Cc2nc(oc2C1)C(=O)NC1CC1	ZINC22_96266038,PC-id_97525800,EMOLS-id_44379908	315.299	GTXZDXRBSMNSNR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-072855
O=S1(=O)Cc2n(C1Cc1ccccc1)ccc2C(F)(F)F	PC-id_102199055	315.311	XZBCGHRKMONPIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072856
FC(c1nc2n(c1)NC(S2)COCc1ccccc1)(F)F	PC-id_144173363	315.314	YYVZFQQDZITPDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072857
O=C(c1ccc(s1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319304915	315.314	PTRWUIQRDJEXPI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072858
O=C(c1ccsc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319481423	315.314	QAYWEKASKDMSJQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072859
O=C(c1sc2c(c1)CCC2)Nc1ccn(n1)CC(F)(F)F	EMOLS-id_318658976	315.314	KINQJBQQCQURIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072860
O=C(c1sc2c(c1)CCC2)Nc1cnn(c1)CC(F)(F)F	EMOLS-id_318491958	315.314	ZGRUYFXDPAZNQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072861
O=C(c1sc2c(c1)CCC2)NCc1[nH]cc(n1)C(F)(F)F	EMOLS-id_319998834,MCULE-8704219923	315.314	PKDKADDVUCQWPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072862
O=C(c1sc2c(c1)CCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319150615	315.314	KHGCAQDRBCGKNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072863
O=C(c1scc(c1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320001461,MCULE-8069756407	315.314	ZHUWSLDBWOVVIG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072864
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1cscc1	EMOLS-id_318509451	315.314	RCROBPGDMDWKOI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072865
CC(F)(F)COC1CCN(C(=O)c2cc3n(n2)CCO3)CC1	ZINC22_2325791287	315.316	LAIWWMUVTUUFGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072866
FC(c1ccc(nn1)NCCc1cn2c(n1)SCC2)(F)F	MCULE-7605960953,EMOLS-id_318056997	315.317	SNNQYVYGYMXEBX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072867
FC(c1ccnc(n1)NCCc1nc2n(c1)CCS2)(F)F	EMOLS-id_318145911,MCULE-7408614734	315.317	GERGACWJUFOQJZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-072868
O=C(N1CCOCC(C1)(F)F)NCCc1nnc2n1CCC2	MCULE-2764924017,EMOLS-id_177244910	315.319	MFSHVHJGSWMKIR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-072869
COc1cc(ccc1OC)C(=O)c1c(C)c2c(n1C)CC(=O)O2	SCHEMBL7678461,PC-id_18424256	315.321	HSKNFYNRPFKWCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072870
OC(=O)C(NC(=O)c1occ2c1CCC2)Cc1ccccc1O	EMOLS-id_319863020,MCULE-6616222050	315.321	VPLSJORLXIXXGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072871
c12CN(Cc1nn(C)c2C(=O)OC)C(=O)OCc1ccccc1	EMOLS-id_324344429,MCULE-1037945145	315.324	BDTUNAVMMJNOPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072872
c12CN(Cc1nn(CC)c2C(=O)O)C(=O)OCc1ccccc1	MCULE-3308732793,EMOLS-id_324345449	315.324	KSCIJXCKGMCEEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072873
CC1(C)N(Cc2c(n[nH]c12)C(=O)O)C(=O)OCc1ccccc1	EMOLS-id_336510673,MCULE-3572599333	315.324	HPDVNZNUNNTXSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072874
CCn1cc2C(N(Cc2n1)C(=O)OCc1ccccc1)C(=O)O	EMOLS-id_259640412,MCULE-9773086417	315.324	FUWYUGBQNHCFMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072875
COc1cc(C=C2C(C)n3c(C2=O)ncn3)cc(c1OC)OC	EMOLS-id_316551466	315.324	RSNRWRGIVURFGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072876
COc1ccc(cc1C(C)(C)C)Cn1nnc2c1C(=O)OC2=O	PC-id_98196898	315.324	KQOVZEBIXFGIRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072877
COc1ccc(cc1C(=O)O)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319057176	315.324	UZZQLJQZQPXHNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072878
COc1cc(OC)c(cc1C=C1C(C)n2c(C1=O)ncn2)OC	EMOLS-id_278712866	315.324	QAMXXFMHRGNGBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072879
COCC(=O)Nc1ccc(OC(=O)c2cnc3n2CCC3)cc1	ZINC22_850841690,PC-id_146135714	315.324	ODICBNZZTXPXNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072880
COC(=O)c1c(NC(=O)c2ccoc2C2CC2)nc2n1CCC2	MCULE-6256262929	315.324	NTAFWFMEKOLRSX-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-072881
O=c1[nH]c(=O)[nH]c(c1)C1CCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_278410635	315.324	NNYYXKMCLGJFRC-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-072882
OC(=O)c1c(CNC(=O)OCc2ccccc2)nn2CCCc12	EMOLS-id_329942256	315.324	XNDRMGXRTWTWOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072883
S(=O)(=O)(CC1Oc2n(C1)cc(n2)[N+](=O)[O-])c1sccc1	PC-id_9972990	315.326	LEUIGFLUDVTZPL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-072884
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1cc(no1)C	MCULE-8925372110,EMOLS-id_207863101	315.327	FAHKEZJVEGZZML-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-072885
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1coc(C)n1	EMOLS-id_207863098,MCULE-7407509582	315.327	KVXYDFMIHTXOFP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-072886
s1c(Nc2ccccc2)c2CCCc2c1C(=O)C(=O)OCC	PC-id_44512768	315.387	MLSZTVJBHFUJCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073283
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1conc1C	EMOLS-id_207863083,MCULE-2142738640	315.327	MDROPHOSKQJKLH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-072887
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1OCC)C	EMOLS-id_27448914,STOCK6S-78948,MCULE-8964864702,PC-id_135649904	315.327	CDZKCMRYRKAVQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072888
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)OCC)C	PC-id_135635953,STOCK6S-47541,MCULE-9005042069,EMOLS-id_17101219	315.327	ZMDYAKPJLNWOKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072889
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)OC)CC	STOCK6S-66755,EMOLS-id_24575093,MCULE-8288080294,PC-id_135629430	315.327	QGSLERAOVJCVGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072890
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1OC)CC	STOCK6S-77319,EMOLS-id_27446334,MCULE-2344250291,PC-id_135649926	315.327	DPSPNVONFZPGLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072891
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(C)ccc1OC)C	MCULE-4443108110,EMOLS-id_17111735,PC-id_135636004,STOCK6S-54721	315.327	JTQHWWONVPXHSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072892
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(OC)c1)CC	MCULE-5760856821,EMOLS-id_27454812,STOCK6S-82670,PC-id_135649923	315.327	VIGMKCVMCDECLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072893
Cc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1[N+](=O)[O-]	EMOLS-id_29986570,PC-id_45802678,CoCoCo_4491575,ZINC22_40481302,MCULE-6385634814	315.327	GLOMVAUDUOYLMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072894
Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)ccc1[N+](=O)[O-]	CoCoCo_4491570,ZINC22_11120913,MCULE-8547528094,EMOLS-id_16693791,PC-id_17505583	315.327	ASAONTAIBLSCTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072895
Cc1onc(c1)C(=O)N1Cc2c(C1)n(nc2C(=O)NC1CC1)C	MCULE-2158215494,EMOLS-id_207863077	315.327	OHHHJHFCVIWUMA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-072896
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1OC)C(=O)N2	PC-id_135878579,ZINC22_31813328	315.327	DPSPNVONFZPGLR-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072897
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1OC)C(=O)N2	PC-id_135878580,ZINC22_31813333	315.327	DPSPNVONFZPGLR-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-072898
CCc1nc2n(n1)[C@H](CC(=O)Nc1cccc(OC)c1)C(=O)N2	ZINC22_31815600,PC-id_135878654	315.327	VIGMKCVMCDECLO-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072899
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(OC)c1)C(=O)N2	ZINC22_31815605,PC-id_135878655	315.327	VIGMKCVMCDECLO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-072900
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(OC)cc1)C(=O)N2	PC-id_135901746,ZINC22_20717120	315.327	QGSLERAOVJCVGS-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072901
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(OC)cc1)C(=O)N2	ZINC22_20717123,PC-id_135901747	315.327	QGSLERAOVJCVGS-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-072902
C#CCCC1(CCC(=O)N2Cc3c(cnn3C)[C@@H]2C(=O)O)N=N1	ZINC22_2325900296	315.327	SOJQOLRJEZPIHT-CYBMUJFWSA-N	00110010100000000001000010000000000000000000000000000000	25-01-072903
C#CCCC1(CCC(=O)N2Cc3c(cnn3C)[C@H]2C(=O)O)N=N1	ZINC22_2325900297	315.327	SOJQOLRJEZPIHT-ZDUSSCGKSA-N	00110010100000000001000010000000000000000000000000000000	25-01-072904
C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2	PC-id_95177650,ZINC22_66966715	315.327	DYADDGNRIZUGMD-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-072905
C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2	ZINC22_66966718,PC-id_95177651	315.327	DYADDGNRIZUGMD-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072906
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1O	PC-id_68441497,SCHEMBL2921108	315.327	DEKQAWZEGSFQQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072907
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)Oc1ccccc1	PC-id_68443607,SCHEMBL2926347	315.327	IQWMZQXMPKKZDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072908
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(C)nn12	PC-id_135878606,ZINC22_31814082	315.327	CDZKCMRYRKAVQM-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-072909
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(C)nn12	ZINC22_31814077,PC-id_135878605	315.327	CDZKCMRYRKAVQM-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072910
CC(=O)c1ccc(NCCc2nnc3n2CCC3)c([N+](=O)[O-])c1	ZINC22_75572163,PC-id_72158832,EMOLS-id_43368617,MCULE-5503061976	315.327	IBVDQUDICHYDFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072911
CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135925007,ZINC22_13691330	315.327	ZMDYAKPJLNWOKG-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072912
CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135925008,ZINC22_13691331	315.327	ZMDYAKPJLNWOKG-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072913
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1ccccc1OC	PC-id_58440805,SCHEMBL12307453	315.327	MOAACDAOIBXIBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072914
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1cccc(c1)OC	PC-id_58440905,SCHEMBL12307455	315.327	RIRMHMWVJGKAKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072915
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1ccc(cc1)OC	SCHEMBL12307451,PC-id_46184902	315.327	WLVKDGDZPNKATH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072916
COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(C)nn12	PC-id_135904156,ZINC22_13732730	315.327	JTQHWWONVPXHSV-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072917
COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)Nc2nc(C)nn12	ZINC22_13732733,PC-id_135904157	315.327	JTQHWWONVPXHSV-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-072918
COC(=O)c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_48008678,EMOLS-id_31974684,MCULE-3726575675,PC-id_51081916	315.327	QBNBHUZRBRPDJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072919
COC(=O)c1c(NC(=O)NCc2ccccn2)nc2n1CCC2	EMOLS-id_319173083	315.327	KQIWJBCLSNDQSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072920
COC(=O)c1c(NC(=O)NCc2cccnc2)nc2n1CCC2	EMOLS-id_319344113	315.327	ASPPZHIRMPDZDK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072921
COC(=O)c1c(NC(=O)NCc2ccncc2)nc2n1CCC2	EMOLS-id_319299810	315.327	NSGXXMZYLKQHAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-072922
CON(C(=O)c1ccc(cc1)NC(=O)N1CCn2c1ncc2)C	MCULE-7434446981,EMOLS-id_319978787	315.327	AHQDMQBXUPZJNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072923
O=C(c1cccc(c1)[N+](=O)[O-])Nc1nn(c2c1CNC2(C)C)C	PC-id_140963656	315.327	QRZNQPVJPQTKNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072924
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)C(=O)c1ccco1	MCULE-2895384857,EMOLS-id_320024242	315.327	JAKLWDUATAIENI-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-072925
O=C(Cc1ccccc1[N+](=O)[O-])NC(c1nnc2n1CCC2)C	MCULE-4673035550,EMOLS-id_48210521,PC-id_75413853	315.327	DYADDGNRIZUGMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072926
O=C(N1CCn2c1ncc2)CCCNc1ccc(cc1)[N+](=O)[O-]	EMOLS-id_279043957	315.327	DVTOSPICDVIIJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072927
C1Cc2c(C1)sc(n2)NN=C1C(=O)NS(=O)(=O)NC1=O	PC-id_90910699	315.329	YLMAQFNPZMXOIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072928
Fc1cc(ccc1NCc1sc2c(c1)CCC2)C(F)(F)F	PC-id_107303492	315.329	YHQZUMDRJQFHOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072929
NC(c1ccc(c(c1)C(F)(F)F)F)c1sc2c(c1)CCC2	PC-id_107291780	315.329	LZEBSJZVMCYNCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072930
NC(c1sc2c(c1)CCC2)c1ccc(c(c1)F)C(F)(F)F	PC-id_107291444	315.329	GYIXAICINBNLID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072931
O=C1NS(=O)(=O)NC(=O)C1N=Nc1sc2c(n1)CCC2	SCHEMBL12795088	315.329	LQPOVNSTHQHYNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072932
s1c2CCCc2nc1/N=N/C1C(=O)NS(=O)(=O)NC1=O	PC-id_59365768	315.329	LQPOVNSTHQHYNV-VAWYXSNFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072933
n12c(C(=C(C1=NCCCCC=C)C#N)C#N)c(c(c2N)C#N)C#N	PC-id_10935961,CT-id_7204155	315.332	RMVQITKODPIZGI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-072934
c12CN(Cc1nn(CC1CCCCC1)c2C=O)CC(F)(F)F	MCULE-5321325759,EMOLS-id_324347750	315.334	FOZWCXZFCZHCMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072935
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCC(CC2)C)n1	PC-id_1129743,BAS-01939641,EMOLS-id_1359679,ZINC22_869815,MCULE-4715009068,CoCoCo_224968	315.334	LJOBMIRFSRZZSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072936
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCCCCC2)n1	PC-id_17060239,EMOLS-id_7676040,TIMTEC309749,CoCoCo_6628372,ZINC22_12844953,MCULE-5722697500	315.334	MJIFQIQBRSHCRY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-072937
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC2CCCCC2)n1	TIMTEC69190,BAS-01939647,MCULE-6231403317,CoCoCo_224974,CHEMBL1559938,PC-id_647534,EMOLS-id_1359691,ChEMBL-DNDi_CHEMBL1559938,ZINC22_303758	315.334	BAZQSVUCSRDRHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072938
O=C(C1CCC(CC1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318834617	315.334	HBMSQLFSORUYDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072939
O=C(C1(CCCCC1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318847826	315.334	WTXLALCHYIMDHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072940
O=C(C1CCC(CC1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319726031	315.334	ACIGCSFOMKRPEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072941
O=C([C@H]1CCCC[C@H]1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319000681	315.334	LFOPJMGLCIIOFR-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072942
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318958848	315.334	SJBBWUREJYTGSQ-MWLCHTKSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072943
O=C([C@H]1CCCC[C@H]1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319052304	315.334	SJBBWUREJYTGSQ-GXSJLCMTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072944
O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cc2n(n1)CCC2	MCULE-8585333733,ZINC22_295461966,EMOLS-id_316891243	315.334	LHGOIFNILWUSTG-ZYHUDNBSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072945
CCCc1cc2n(c1C(=O)c1ccc(cc1)F)CCC2C(=O)O	SCHEMBL11604186,PC-id_20351634	315.339	OTVCIJXVETTZHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072946
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)F)C	SCHEMBL11603833,PC-id_13486975	315.339	GSLQCJRSYZDRPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072947
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1F)C	SCHEMBL11606328,PC-id_20351578	315.339	MSUVJJQXWFURED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072948
COC(=O)c1c(C(=O)OC)c(n2c1C(C)S(=O)(=O)C2C)C	PC-id_102154785	315.342	KSCUFMLJDYGLLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072949
Fc1cccc(c1)C1CCC(C1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318631355	315.342	VIUCQPQQZQPTNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072950
Fc1ccc(cc1)C1CCC(C1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318667246	315.342	BKLSIQJPSKEVHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072951
Fc1ccc(cc1)C1(CCCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99769088	315.342	IEHJNHQPMSLJKX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072952
Fc1ccccc1OC1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318560410	315.342	LVDZIUXHFOWSPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072953
Fc1cccc(c1)OC1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318567907	315.342	RKEYYZWGDIHSRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072954
Fc1ccc(cc1)O[C@H]1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318558999	315.342	UYIGSMIAWISLGD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072955
Fc1cccc(CNC(=O)c2nc3CN(CC4CC4)Cc3o2)c1	PC-id_97442810,ZINC22_96147286,EMOLS-id_44304354	315.342	BAMSYWQVGDLYRH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-072956
Fc1ccc(Cn2ncc3CN(Cc23)C(=O)C2OCCC2)cc1	PC-id_76408357	315.342	RVDFWUHVEOQZRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072957
Fc1ccc(Cn2ncc3CN(Cc23)C(=O)[C@H]2OCCC2)cc1	PC-id_56754593	315.342	RVDFWUHVEOQZRA-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072958
N#Cc1cn2c(n1)O[C@@H](C2)COc1ccc(c(c1)F)C(C)(C)C	PC-id_140261626	315.342	JNMHOMYEZKKCFP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072959
O=C(c1nn2c(c1)OCC2)NC1CCC(C1)c1ccccc1F	EMOLS-id_318619527	315.342	YLVGWVPGWMJADL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072960
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H]1c1ccccc1F	ZINC22_2325813083	315.342	JWVGSBMWPUPHGL-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072961
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H]1c1ccccc1F	ZINC22_2325813084	315.342	JWVGSBMWPUPHGL-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072962
O=C(NCC1(c2cccc(F)c2)CCC1)c1cc2n(n1)CCO2	MCULE-2233950612,ZINC22_830871672,EMOLS-id_316973756	315.342	XWVZCSCIAUAZDA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-072963
S1(=O)(=O)[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)CC	PC-id_11771438	315.342	DOUROCMLJHIYTA-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072964
S1(=O)(=O)C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)CC	PC-id_73095169	315.342	DOUROCMLJHIYTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072965
COC(=O)CC(N1C(=O)c2c(C1=O)csc2)c1ccccc1	PC-id_68469944,SCHEMBL2994547	315.344	GQCMVQUYSTZLRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-072966
O=C(OCc1cc(c2ccco2)on1)c1cc2c(s1)CCC2	MCULE-6537047644,ZINC22_18468070,CoCoCo_4057302,EMOLS-id_24471221,PC-id_27953605	315.344	WQEUEIDQIQVTRO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-072967
Fc1cccc(c1)C1CCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_318747360	315.345	BOYKLPKDQSATDV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-072968
Fc1cccc(c1)[C@@H]1CN(C[C@H]1N)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319430606	315.345	DMJSYEVTVOTBMK-IKCIUXDWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072969
CCOC(=O)c1c(NCc2cccc(c2)C)sc2c1CCC2	PC-id_110827400	315.43	JPQHQNPGBQHXPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073474
Fc1ccc(cc1)N1CCC(C1=O)NC1CC(n2c1ncn2)C	EMOLS-id_318739870,MCULE-4023453738	315.345	YFUWXYWSWOYTGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072970
Fc1ccc(cc1)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	MCULE-5637524186,EMOLS-id_320209248	315.345	CSACPYRRIDIDGO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-072971
Fc1ccc(nc1)N1CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101219551	315.345	MXWNCXCRZQHURM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-072972
Fc1cccnc1N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110479018	315.345	NTAQRGUBNSUTMY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-072973
Nc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)O)C	SCHEMBL18616049	315.345	XULGJHHGIKRLMZ-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072974
Nc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)O)C	SCHEMBL21081599,PC-id_138705433	315.345	XULGJHHGIKRLMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072975
N[C@@H]1CN(C[C@H]1c1ccccc1F)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319879902,MCULE-5374934795	315.345	NJZVPEMCKZKLKA-OZDYYWIQSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072976
O=C1CC(CN1c1ccccc1F)NC1CC(n2c1ncn2)C	EMOLS-id_316584167,MCULE-3480079059	315.345	MFIJPKNGKJTOHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072977
O=C1C(CCN1c1ccccc1F)NC1CC(n2c1ncn2)C	MCULE-4175477120,EMOLS-id_318412712	315.345	JPADDNFUYXTBDA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072978
O=C1CCCN1c1ccc(c(c1)NC1CC(n2c1ncn2)C)F	EMOLS-id_318432117	315.345	LPQBMBHGHHSUFL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-072979
O=C(c1cc2n(n1)CCO2)NS(=O)(=O)CC1CCCOC1	EMOLS-id_112048391	315.345	JSOZHCCGYBPHRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072980
O=C(c1cnn2c1CCC2)N1CCN(c2ccc(F)cn2)CC1	EMOLS-id_101220412,ZINC22_333525640,MCULE-3640179177	315.345	HXVOKBGUXSDXPM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-072981
O/C(=c
/n2[n+](c(c1)C(=O)c1ccccc1)ccc2)/c1ccccc1	PC-id_21784634	315.345	HAMQIDJXMVXDPL-UHFFFAOYSA-O	00000000100000110001000010000000000000000000000000000000	25-01-072982
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)CC1CCCCO1	EMOLS-id_112034398	315.345	VRRWWPWOOPFXMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-072983
O=C(NCc1nnc2n1CCC2)NC1(c2ccccc2F)CC1	ZINC22_77536232,PC-id_75372596,MCULE-4877497378,EMOLS-id_48237964	315.345	ATWDIWSJWYXHDN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072984
O=C(NCc1nnc2n1CCC2)NC1(c2cccc(F)c2)CC1	PC-id_75372957,EMOLS-id_48239024,MCULE-1776726938,ZINC22_95399960	315.345	HPPGRSUPXRRBJW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-072985
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)ccc2)C	SCHEMBL18617600	315.345	YGNUXYNVIREJOL-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-072986
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)n1	MCULE-4628529898,PC-id_3632451	315.347	MHYYRUCYLVSLHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072987
c1(NC(=O)C(=O)NCc2ccco2)sc2c(CCC2)c1C#N	ZINC22_6755723,EMOLS-id_4743043,PC-id_8069841,STOCK6S-12296,MCULE-7856937889	315.347	HGXCCTIQQFECIU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-072988
C=CCOc1ccc(/C=c/sc3ncnn3c2=O)cc1OC	ZINC22_16733356,EMOLS-id_45964442	315.347	KBDSXCZZYZCBJG-MDWZMJQESA-N	00000000100000110001000010000000000000000000000000000000	25-01-072989
C=CCOc1ccc(C=c2sc3ncnn3c2=O)cc1OC	ZINC22_254500868,EMOLS-id_9821434,MCULE-4202595788	315.347	KBDSXCZZYZCBJG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072990
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC=C	EMOLS-id_27019882,ChEMBL-DNDi_CHEMBL5629-0865	315.347	KBDSXCZZYZCBJG-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072991
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)CC	MCULE-6427359474	315.347	HBKTZUGGHOXCQH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072992
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)CC	MCULE-6838151667	315.347	JPBWTVOSYOVKAN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072993
n12nc(nc1sc(=Cc1ccccc1OC(=O)C)c2=O)CC	MCULE-8707582326	315.347	MIHZBDIAHRDNHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072994
n12ncnc1sc(=Cc1cc(C)c(c(C)c1)OC(=O)C)c2=O	MCULE-9218621782	315.347	MAQFWIXDUBDOMR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-072995
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CCC2	PC-id_6282582,ZINC22_6526525,CoCoCo_4164072,EMOLS-id_26211138	315.347	FEOHPBIOZGBUQP-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072996
O=C(Nc1sc2c(n1)CCC2)/C=Cc1cccc(c1)[N+](=O)[O-]	CoCoCo_4164073	315.347	FEOHPBIOZGBUQP-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072997
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	PC-id_5880669,EMOLS-id_181475141	315.347	MHYYRUCYLVSLHR-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072998
O=N(=O)c1cc(C=CC(=O)Nc2sc3c(CCC3)n2)ccc1	EMOLS-id_300249448,PC-id_5141307,MCULE-1302700019	315.347	FEOHPBIOZGBUQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-072999
s1c2CCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])ccc1	PC-id_85015455	315.347	WWWUWINETQZWGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073000
s1c2CCCc2c(c1NC(=O)COC(=O)c1[nH]ccc1)C#N	PC-id_8546040	315.347	NECWKOWUCHGXDQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-073001
s1c2CCCc2nc1NC(=O)C=Cc1c([N+](=O)[O-])cccc1	PC-id_3342143	315.347	JUDNBLDVYMBSMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073002
s1c2CCCc2nc1NC(=O)/C=C/c1c([N+](=O)[O-])cccc1	PC-id_5798283	315.347	JUDNBLDVYMBSMA-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073003
c1(C(=O)NCc2noc(c3cccs3)n2)c2CCCc2[nH]n1	MCULE-3496920133,ZINC22_621038698,EMOLS-id_222767077	315.35	MHXZMPRQRJFNGF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-073004
CCN(C(=O)c1cn2c(n1)CCC2)CCc1ccc(cc1)P	SCHEMBL18755058	315.35	BLRPPBOVAGOYEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073005
CCOc1ncccc1C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_177211541,MCULE-2214074824,ZINC22_109726042	315.35	PWUXVUAWMNIISE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073006
Cn1ncc(c1)c1noc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318827463	315.35	BJRQZZDZIULWKR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073007
N#Cc1c(NC(=O)c2oc(nc2C)C2CC2)nc2n1CCS2	EMOLS-id_99554507	315.35	HSHXLMWXWODUMD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-073008
N#Cc1c(NC(=O)CCn2ccccc2=O)nc2n1CCS2	PC-id_86970788	315.35	ZKOKOSOMVWJACZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073009
O=C(CCc1nc(c2cccs2)no1)N1Cc2c[nH]nc2C1	ZINC22_646348340,PC-id_146125020	315.35	XKVSMLPDOLIHKL-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-073010
O=C(NCc1nnc2n1CCC2)c1cc(c2cccs2)on1	PC-id_53527207,EMOLS-id_36262533,ZINC22_42648748,MCULE-7483906239	315.35	MJERRYSNRYOXBV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-073011
O=C(c1sccc1n1cnnn1)NCc1cnc2n1CCC2	EMOLS-id_319192046	315.354	ABLPHXWVGLWDLF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-073012
Cc1cc(nn1CCNC1CCc2c1scc2)C(F)(F)F	EMOLS-id_318593935,MCULE-3123665653	315.357	NGLYUMAMSJQERT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073013
CC(C)n1c2c(c(n1)C(C)(F)F)N(CC2)C(=O)OC(C)(C)C	SCHEMBL15723673,PC-id_90162087	315.359	DCVOFUCUKIBDOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073014
CC(C)n1c2c(CN(C2)C(=O)OC(C)(C)C)c(n1)C(C)(F)F	PC-id_90162108,SCHEMBL15723694	315.359	ZCVUHPDKSCBROQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073015
CC(CCOC(=O)C1CCn2c1ccc2C(=O)c1ccco1)C	SCHEMBL11664395,PC-id_20356056	315.364	MINVIGNAWPKRKC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073016
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(o1)C)C)C	SCHEMBL11657889,PC-id_20356180	315.364	GYBRRSBEBGXRQP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073017
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1occ(c1)C)C)C	PC-id_20356148,SCHEMBL11658970	315.364	NAIONTUQTRTFCR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073018
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1occc1C)C)C	SCHEMBL11662124,PC-id_20356167	315.364	RVIMJMHETBWYDG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073019
COC(=O)c1[nH]c2c(c1)C(CC2)Cc1ccc(c(c1)OC)OC	SCHEMBL1003747,PC-id_59180231	315.364	QNMBFGZSOCIJIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073020
S1C(C(=O)c2c1sc(c2N)C(=O)OCC)C(=O)OCC	PC-id_11278486	315.365	APHKZFAKZQRXOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073021
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2OC)OC)n1	EMOLS-id_331036935,MCULE-4792716438	315.367	NRCGGAGHFJFVIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073022
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(OC)c2)OC)n1	MCULE-5309594602,EMOLS-id_331036679	315.367	CONKYHMRMJGCAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073023
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1OC)OC	MCULE-4965628826,EMOLS-id_331018929	315.367	LXIURJTYWKTSHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073024
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)OC	EMOLS-id_331018673,MCULE-6206749737	315.367	RVKACDXAAGVBJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073025
c1(C(=O)Nc2ccc(c(OCC)c2)OCC)c2CCCc2[nH]n1	EMOLS-id_335023337,MCULE-9878456250	315.367	DZVAPRWXMJGUFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073026
c1(C(=O)NCc2ccc(c(OC)c2)OC)c2CCCc2n(C)n1	PC-id_110389031,MCULE-1642482288,EMOLS-id_179745157	315.367	QXUHCMMNCGUHHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073027
c1(C(=O)NCCc2ccc(c(OC)c2)OC)c2CCCc2[nH]n1	MCULE-2268173927,EMOLS-id_179744625,PC-id_110388849	315.367	WZVGTJAGIZQQOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073028
c1(C(=O)NC(C)c2ccc(c(OC)c2)OC)c2CCCc2[nH]n1	MCULE-8863687759,EMOLS-id_335036143	315.367	JGHAXCDLXLPWPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073029
c1(C(=O)NCCc2ccc(c(OC)c2)OC)cn2c(CCC2)n1	MCULE-9871205242,EMOLS-id_321294806	315.367	OYSPVENFAKRWQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073030
c1(C(=O)NCCc2cc(OC)ccc2OC)c2CCCc2[nH]n1	EMOLS-id_180404689,MCULE-8675235283,PC-id_110678727	315.367	NZDIESHLUHFBLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073031
c1(C(=O)NCCOc2ccc(cc2)OC)c2CCCc2n(C)n1	EMOLS-id_179745208,MCULE-6063824145,PC-id_110389048	315.367	MHSAIPPQGHKTKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073032
c1(NC(=O)Cc2ccc(c(OC)c2)OC)n(C)nc2CCCc12	PC-id_45536838,EMOLS-id_43484329,MCULE-9574702950,ZINC22_38884759	315.367	MEWJQFKJFYEVQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073033
Cc1c(cc(cc1)OCCC(=O)N1Cc2c(C1CO)cn[nH]2)C	PC-id_136574295,MCULE-6299296359,EMOLS-id_317026339	315.367	AOZPXEUIEVSEKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073034
Cc1ccc(o1)CN1Cc2c(C1)nc(o2)C(=O)NC1CCCC1	PC-id_97515430	315.367	JOBWXCLTYHTBQX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073035
Cc1ccc(OCCC(=O)N2Cc3n[nH]cc3[C@@H]2CO)cc1C	ZINC22_1775985579	315.367	AOZPXEUIEVSEKG-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073036
Cc1ccc(OCCC(=O)N2Cc3n[nH]cc3[C@H]2CO)cc1C	ZINC22_1775985580	315.367	AOZPXEUIEVSEKG-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073037
Cc1nn(cc1NC(=O)c1occ2c1CCC2)C1CCOCC1	EMOLS-id_319328593	315.367	VICKQWLLSLCVPM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073038
Cn1nc(cc1NC(=O)c1occ2c1CCC2)C1CCOCC1	EMOLS-id_318074967	315.367	SNRRIHRUKIXCID-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073039
COc1ccc(cc1)C(C(NC(=O)c1n[nH]c2c1CCC2)C)O	PC-id_109875608	315.367	LPMIKYLIZZNQJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073040
COc1cc(cc(c1C)OC)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319316068	315.367	PTNJNIBHSSFUGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073041
COc1ccc(cc1NC(=O)c1cc2n(n1)CCO2)C(C)(C)C	EMOLS-id_318743083	315.367	KQXUWPDVKIRGSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073042
COc1cc(ccc1OCC(C)C)C(=O)N1CCn2c1ncc2	EMOLS-id_316584129	315.367	WTHCJBAEIXRMJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073043
COc1ccccc1OCCC(=O)Nc1c2c(nn1C)CCC2	PC-id_75418072,MCULE-8697949871,EMOLS-id_48781420,ZINC22_65856101	315.367	YTGQGPGLGPZBPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073044
COc1ccccc1OC(CNC(=O)c1n[nH]c2c1CCC2)C	MCULE-2779088159,EMOLS-id_49059646,PC-id_71994154	315.367	JTGPNALBLHWNRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073045
COc1ccccc1O[C@@H](C)CNC(=O)c1n[nH]c2c1CCC2	ZINC22_96431657,PC-id_97577118	315.367	JTGPNALBLHWNRK-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-073046
COc1ccccc1O[C@H](C)CNC(=O)c1n[nH]c2c1CCC2	ZINC22_96431658,PC-id_97577119	315.367	JTGPNALBLHWNRK-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073047
COc1c(OC)ccc(c1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318685476	315.367	VSXJYXCXLMJBRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073048
COc1c(OC)ccc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319497111	315.367	XVNPLQULSBVVMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073049
COC(c1ccccc1)(CNC(=O)c1cnc2n1CCC2)OC	EMOLS-id_279017681	315.367	SCEBOZWOJZJHEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073050
COC(c1ccccc1)(CNC(=O)c1cnn2c1CCC2)OC	EMOLS-id_279017716	315.367	AWTYORXUYGOHGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073051
COC(c1ccccc1)(CNC(=O)c1n[nH]c2c1CCC2)OC	MCULE-5526238741,EMOLS-id_258151288	315.367	CWPSTNZHKDZDIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073052
COCc1ccc(o1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318780418	315.367	ZRMOHOBTAKAQIQ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-073053
COCCOc1cccc(C(=O)NCc2cc3n(n2)CCC3)c1	MCULE-5620946573,ZINC22_585131155,EMOLS-id_177313868	315.367	NCABKMRRFAVLRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073054
o1c2CN(Cc2nc1Cc1ccc(N)cc1)C(=O)OC(C)(C)C	PC-id_83949576	315.367	QCMSDAFUJRGMBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073055
O1C(CCC1)CN(C(=O)c1n[nH]c2c1CCC2)Cc1occc1	PC-id_75385678,MCULE-6773268105,EMOLS-id_48276032	315.367	RDUVNJKRCNCSFE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073056
O1C(Cn2c1nc(c2)C(=O)N)COc1ccc(C(C)(C)C)cc1	PC-id_78098343	315.367	ITVUEZBDKJIDBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073057
O1[C@@H](Cn2c1nc(c2)C(=O)N)COc1ccc(C(C)(C)C)cc1	PC-id_71525501	315.367	ITVUEZBDKJIDBZ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073058
O=C1N(c2n(C1(Cc1cc(OC)ccc1)C)ccn2)CCOC	PC-id_74222074	315.367	AEGDXGAVLIHMBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073059
O=C(c1cc2n(n1)CCO2)N(Cc1ccoc1)C1CCCCC1	EMOLS-id_316525674,ZINC22_291603152,MCULE-8692974613	315.367	YLFDQBQYWHLRLW-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-073060
O=C(c1nn2c(c1)OCC2)N(CC(O)(C)C)Cc1ccccc1	EMOLS-id_257913586,MCULE-2199001621	315.367	KSEIWAORYVAEFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073061
O=C(c1n[nH]c2c1CCC2)N1CCCC1CC(c1ccco1)O	PC-id_112270553	315.367	DSIKLQXAFCZYSY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073062
O=C(c1n[nH]c2c1CCC2)N(Cc1ccco1)C[C@@H]1CCCO1	PC-id_97236889,ZINC22_95429527	315.367	RDUVNJKRCNCSFE-ZDUSSCGKSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073063
O=C(c1n[nH]c2c1CCC2)N(Cc1ccco1)C[C@H]1CCCO1	PC-id_97236890,ZINC22_95429528	315.367	RDUVNJKRCNCSFE-CYBMUJFWSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073064
O=C(c1occ2c1CCC2)N1CCC(CC1)(O)c1ccnn1C	EMOLS-id_319387854	315.367	IPDMHBDSJBUJIB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073065
O=C(c1occ2c1CCC2)N1CCC(CC1)(O)c1nccn1C	EMOLS-id_319191506	315.367	LWVZQURVZXHAJF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073066
O=C(c1occ2c1CCC2)Nc1cnn(c1C)C1CCOCC1	EMOLS-id_318353719	315.367	ZHANZNJRQOUIKC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073067
OCCN(C(=O)c1cnn2c1CCC2)Cc1ccc(cc1)OC	EMOLS-id_320203946,MCULE-9920026414	315.367	ZTRNURBMUYJAAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073068
OCCN(C(=O)c1n[nH]c2c1CCC2)Cc1ccc(cc1)OC	EMOLS-id_319973941,MCULE-9958660801	315.367	QNBXKZRIRMLTNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073069
OCCN(C(=O)c1n[nH]c2c1CCC2)Cc1ccccc1OC	PC-id_110907481	315.367	PXVHLZHHYRHARE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073070
OC(COc1cccc(c1)C)CNC(=O)c1n[nH]c2c1CCC2	PC-id_110904548	315.367	UYIHWDNZCVUCPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073071
O(CC(=O)Nc1n(nc2c1CCC2)C)c1ccc(OCC)cc1	PC-id_45536834	315.367	JTYLMPRFCCYMMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073072
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C#N	PC-id_74696805	315.367	ZZXXMONTRRJGDO-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-073073
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C#N	PC-id_40558918	315.367	ZZXXMONTRRJGDO-MNOVXSKESA-M	00000010100011000000000010000000000000000000000000000000	25-01-073074
CC1CCc2nn(CC3CCC3)c(I)c12	MCULE-1263916949,EMOLS-id_330967988	316.181	MIKYQATUCXSEPQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-073671
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C#N	PC-id_40558920	315.367	ZZXXMONTRRJGDO-GHMZBOCLSA-M	00000010100011000000000010000000000000000000000000000000	25-01-073075
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C#N	PC-id_40558922	315.367	ZZXXMONTRRJGDO-QWRGUYRKSA-M	00000010100011000000000010000000000000000000000000000000	25-01-073076
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C#N	PC-id_40558924	315.367	ZZXXMONTRRJGDO-WDEREUQCSA-M	00000010100011000000000010000000000000000000000000000000	25-01-073077
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1onc(C(C)C)n1	PC-id_70781574,EMOLS-id_43601849,MCULE-3050273709	315.37	HEENDOMYSXQOET-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073078
c1(c2CCCc2[nH]n1)C(=O)N1CCCOC(Cn2cccn2)C1	MCULE-7814129837,EMOLS-id_49896583,PC-id_77095910	315.37	OVAKCCWSBATMOH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-073079
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H]([C@H](Cc2cc(n[nH]2)C)C1)O	EMOLS-id_330441488,ZINC22_1857722446,MCULE-8726419443	315.37	VQFACSLKIXERBN-YGRLFVJLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073080
c1(cc(no1)C)C1CCCN1C(=O)NCc1c2CCCc2[nH]n1	PC-id_121505548,EMOLS-id_177446807,MCULE-4608751202	315.37	ONWMSCWCHJTUCD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073081
c1(CC(=O)N(C)Cc2c3CCCc3[nH]n2)c(C)nc([nH]c1=O)C	ZINC22_223512153,MCULE-6547418613,EMOLS-id_55700311,PC-id_91793891	315.37	DOUCFNJYPFFMHS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073082
c1(C(=O)N2CCC(CC2)Cc2noc(C)n2)c2CCCc2n[nH]1	PC-id_119068047,MCULE-6481991415,ZINC22_426536297,EMOLS-id_82725203	315.37	OFMFETULUJKNJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073083
c1(C(=O)NCc2nnc3CCCn23)cc(C)c(n(C)c1=O)CC	EMOLS-id_82714501,MCULE-8869468518,ZINC22_426477681,PC-id_118772674	315.37	FUZGJLIZEXULRO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073084
c1(C(=O)NCc2onc(C3CCCCC3)n2)c2CCCc2[nH]n1	MCULE-6510183792,PC-id_91834541,ZINC22_244673624,EMOLS-id_55645106	315.37	HSVYARVUDYZZJT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073085
CC1CC(c2n1ccn2)Nc1ncnc(c1)OC1CCOCC1	MCULE-5652612885,EMOLS-id_318616343	315.37	MAQKWQDUFJZEJR-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-073086
CC1CC(c2n1ncn2)NC(=O)c1ccc(o1)CN1CCCC1	EMOLS-id_318867064	315.37	ZUEFCWUUDOTXRY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073087
Cc1ccc(CN(C(=O)NCc2nnc3n2CCC3)C2CC2)o1	PC-id_53498854,MCULE-7628977454,EMOLS-id_35718942,ZINC22_45387370	315.37	YRZHUNUNJZOVTO-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-073088
Cc1cc([C@@H]2CCCN2C(=O)NCc2n[nH]c3c2CCC3)on1	ZINC22_426536471	315.37	ONWMSCWCHJTUCD-AWEZNQCLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073089
Cc1cc([C@H]2CCCN2C(=O)NCc2n[nH]c3c2CCC3)on1	ZINC22_426536472	315.37	ONWMSCWCHJTUCD-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073090
Cc1c([C@H]2OCC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cnn1C	ZINC22_328614333,EMOLS-id_316079135,MCULE-5220066989	315.37	VQTBJYCJBPKVNH-DZGCQCFKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073091
Cc1c([C@@H](C)NCCc2nnc3n2CCC3)cccc1[N+](=O)[O-]	PC-id_97229718,ZINC22_95419911	315.37	PCWYWCLMYDHVSP-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073092
Cc1c([C@H](C)NCCc2nnc3n2CCC3)cccc1[N+](=O)[O-]	PC-id_97229719,ZINC22_95419912	315.37	PCWYWCLMYDHVSP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073093
CC1=CC(=Nc2c(n3CCCn3c2=O)NC(C)C)C(=N)CC1=O	PC-id_136598374	315.37	DZZKVNNBUXXFTP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-073094
Cc1c[nH]c(n1)C1(CCOCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_319436387	315.37	YLLCFFVNQAULBT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073095
Cc1nn(cc1NC(=O)c1cn2c(n1)CCC2)C1CCOCC1	EMOLS-id_319419328	315.37	IRLKDNQEGOLEPA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073096
Cc1nn(cc1NC(=O)c1cnc2n1CCC2)C1CCOCC1	EMOLS-id_319695140	315.37	IYYFOBABXZGNKH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073097
Cc1nn(cc1NC(=O)c1n[nH]c2c1CCC2)C1CCOCC1	EMOLS-id_319452396	315.37	KNQOJWMVFKBQDJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073098
Cc1nnc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C)o1	ZINC22_886097301,EMOLS-id_316125567,MCULE-7778895687	315.37	QXUFOWSDEOFFMQ-ONGXEEELSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073099
Cc1nn(c(n1)N)C1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_319742528	315.37	ADRGRUDSIHDWIC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073100
Cc1onc(n1)C1(CCCCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110533637	315.37	RZMCKVVHJFASBI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073101
CC(c1cccc(c1C)[N+](=O)[O-])NCCc1nnc2n1CCC2	PC-id_75382603,MCULE-7574965394,EMOLS-id_48266077	315.37	PCWYWCLMYDHVSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073102
CCc1onc(n1)C1CCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318584338	315.37	BPGXDFZDIFARMU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073103
CCCc1cc(cc(=O)[nH]1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_316962961,MCULE-6464753900,PC-id_136562730	315.37	POJSCXYUSGQRRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073104
CCCc1cc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc(O)n1	ZINC22_930484615	315.37	POJSCXYUSGQRRY-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-073105
CCCc1cc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc(O)n1	ZINC22_930484616	315.37	POJSCXYUSGQRRY-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073106
CC(C)c1noc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_77525119,PC-id_96407047	315.37	HEENDOMYSXQOET-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073107
CC(C)c1noc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_77525126,PC-id_96407048	315.37	HEENDOMYSXQOET-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073108
CCCOc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319285207	315.37	DCVJUQCYJLNYBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073109
CCCOc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319795556	315.37	GTPQLOJANAQYKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073110
CCCOc1cccc(NC(=O)N2Cc3nn(C)c(N)c3C2)c1	EMOLS-id_316973171,ZINC22_685944827,MCULE-4623683878	315.37	BCJKMBXOLTVHJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073111
C[C@H]1[C@H](CCCN1C(=O)c1nn2c(c1)CCC2)c1nnc(o1)C	MCULE-6045413313,EMOLS-id_316135781	315.37	AMQDUYRGHKZMTL-GWCFXTLKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073112
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	MCULE-2019382023,ZINC22_328631871,EMOLS-id_316065668	315.37	RLXCTAHCGAVKRI-JSGCOSHPSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073113
CC(Nc1n2CCCn2c(=O)c1/N=C/1C=C(C)C(=O)C=C1N)C	SCHEMBL13964048,PC-id_57578026	315.37	WTLUVHVJYAWIFB-XDHOZWIPSA-N	00000010100011000001000010000000000000000000000000000000	25-01-073114
O=C(c1ccco1)N1CCC(CC1)NC1CC(n2c1ncn2)C	MCULE-7320553376,EMOLS-id_318671951	315.37	FSJUEUGEXPMTQM-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-073155
CC(Nc1n2CCCn2c(=O)c1/N=C
/C=C(C)C(=O)C=C1N)C	SCHEMBL3853495	315.37	WTLUVHVJYAWIFB-UNOMPAQXSA-N	00000010100011000001000010000000000000000000000000000000	25-01-073115
CC(Nc1n2CCCn2c(=O)c1N=C1C=C(C)C(=O)C=C1N)C	SCHEMBL3853498	315.37	WTLUVHVJYAWIFB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-073116
CCOc1ccc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319279198	315.37	OFWYHTMWBGOYOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073117
CCOc1cc(ccc1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319446928	315.37	MJRSLLASJJNFBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073118
CC(Oc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319380907	315.37	WSRJENNYUWEWQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073119
CC(Oc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319514428	315.37	DXIGTJUGNZZDCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073120
CCOc1cc(C)ccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319217860	315.37	MDYWWQMURQZBBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073121
CC(=O)c1c(C)[nH]c(C(=O)NCCc2nnc3n2CCC3)c1C	EMOLS-id_35722340,MCULE-8289490844,ZINC22_65514751,PC-id_53519932	315.37	SAPAGPPIJPCRNZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-073122
CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nnc3n2CCC3)c1C	ZINC22_69391528,EMOLS-id_36260633,PC-id_53523283,MCULE-8922532420	315.37	BBWATPNURTVWFO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-073123
CCOCc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_318967190	315.37	FMWDLEOHTLVJQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073124
CCOCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319167948	315.37	HGEOTBVRYJYRAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073125
Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cn1	ZINC22_275339607,EMOLS-id_112046424,MCULE-3678273386	315.37	GRKALNAMJLEAKX-DZGCQCFKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073126
Cn1cc([C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@@H](O)C2)cn1	ZINC22_223748373	315.37	PUIDHVYBVXTJQY-PXWWUCIGSA-N	00001010100000000001000010000000000000000000000000000000	25-01-073127
Cn1cc([C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@@H](O)C2)cn1	ZINC22_223748427	315.37	PUIDHVYBVXTJQY-OLUVUFQESA-N	00001010100000000001000010000000000000000000000000000000	25-01-073128
Cn1cc(cn1)C(C1CC(C1)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_91779301	315.37	PUIDHVYBVXTJQY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-073129
Cn1cc(cn1)C(NC(=O)c1n[nH]c2CCCc12)[C@H]1C[C@H](O)C1	EMOLS-id_55657784	315.37	PUIDHVYBVXTJQY-JETSNZRESA-N	00001010100000000001000010000000000000000000000000000000	25-01-073130
CN1CCN(CC1)C(=O)c1n[nH]c2CN(Cc3ccoc3)Cc12	EMOLS-id_46160275,PC-id_97389046,ZINC22_96066706	315.37	CVFYGOJPAYILNU-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-073131
Cn1nc(c2c1CN(C2)C(=O)c1ccc[nH]1)CN1CCOCC1	PC-id_97405356	315.37	CTRFHPYGHWBDIK-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-073132
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cnn2c1CCC2	ZINC22_1467774390	315.37	HBFCXTVTHFYGQX-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073133
Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cnn2c1CCC2	ZINC22_1467774391	315.37	HBFCXTVTHFYGQX-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-073134
CN(C)[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@@H]1n1ccnn1	ZINC22_862937396,EMOLS-id_316120422,MCULE-2829430337	315.37	DYSNEVCJJAXTED-KGLIPLIRSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073135
CN(C)C(=O)c1nn(C)c2c1CN(C(=O)C1(C#N)CCCC1)C2	ZINC22_1565551450,EMOLS-id_313748177	315.37	NMGUPGSPZUKNCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073136
COc1cccc(c1)C(C(=O)NC(c1nnc2n1CCC2)C)N	EMOLS-id_318216365	315.37	MZABCZUYRAEPSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073137
COc1c(C)ccc(c1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319471567	315.37	YCNJNYIDTPUOSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073138
COc1cc(C)cc(c1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319871560	315.37	BHAMHYVMIOHAQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073139
COc1cc(C)c(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319588886	315.37	KPMPTPTZOYOCRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073140
COc1cccc(CN(C)C(=O)NCc2nnc3n2CCC3)c1	ZINC22_55077846,EMOLS-id_36261069,MCULE-3908202876,PC-id_53526990	315.37	PUMAQARURDRXMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073141
COc1ccc(CCNC(=O)NCc2nnc3n2CCC3)cc1	PC-id_52380265,MCULE-3007028024,EMOLS-id_36627178,ZINC22_55078312	315.37	URPCPTIADSKJFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073142
COc1ccc(CN(C)C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_55077864,PC-id_52380256,MCULE-2185141142,EMOLS-id_36627172	315.37	KQIMKUFXQOJQDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073143
COc1ncccc1CN1Cc2c(C1)n(C)nc2C(=O)N(C)C	EMOLS-id_44325361,PC-id_97461993,ZINC22_96187535	315.37	IOBZUVVSNBOSEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073144
COc1nc(C)cc(c1CN(C(=O)C1NCc2c1c[nH]n2)C)C	EMOLS-id_319192024	315.37	FFORHLPRTRXMKC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073145
COCC(=O)Nc1cccc(c1)CNC1CC(n2c1ncn2)C	MCULE-3142322328,EMOLS-id_258181536	315.37	GUFWARFPKYGTLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073146
COC(=O)N(Cc1ccc(cc1)NC1CC(n2c1ncn2)C)C	MCULE-6320815029,EMOLS-id_318511774	315.37	KQIIQEHPIFYOCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073147
n12CCCc1nnc2CNC(=O)c1ccc(CN2CCCC2)o1	EMOLS-id_232854281,MCULE-5500691598,ZINC22_828166502	315.37	RYWZQHHVHNWORF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073148
OC1CC(C1)[C@@H](c1cnn(c1)C)NC(=O)c1n[nH]c2c1CCC2	PC-id_100060036	315.37	PUIDHVYBVXTJQY-IUVQJJGASA-N	00001010100000000001000010000000000000000000000000000000	25-01-073149
OC1CC(C1)[C@H](c1cnn(c1)C)NC(=O)c1n[nH]c2c1CCC2	PC-id_100060037	315.37	PUIDHVYBVXTJQY-PFMWSLTASA-N	00001010100000000001000010000000000000000000000000000000	25-01-073150
O(c1cc(c(NC(=O)NCc2n3CCCc3nn2)cc1)C)CC	PC-id_60489007	315.37	NACPNZAUQHCECA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073151
O(c1c(NC(=O)NCc2n3CCCc3nn2)ccc(c1)C)CC	PC-id_60487445	315.37	WZWDPDDTVUVZHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073152
O=C(c1cc2n(n1)CCO2)N1CCCC(C1)c1[nH]c(c(n1)C)C	EMOLS-id_319901525,MCULE-5020894594	315.37	SEPWFAXQAHSUPN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073153
O=C(c1cccn1CCN1CCOCC1)N1Cc2c(C1)cn[nH]2	EMOLS-id_316579654	315.37	JPEZVFKMSHMCIV-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-073154
s1c2c(CC(OC(=O)C(N)Cc3ccccc3)(C2=O)C)cc1	PC-id_72952834	315.387	QYXNGQGGMIJGPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073282
O=C(c1cnc2n1CCC2)N1CCN(CC1)Cc1ncoc1C	EMOLS-id_319498220	315.37	LRSFVGCKCUIVRG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073156
O=C(c1c[nH]nc1C1CCOCC1)NCc1cnc2n1CCC2	MCULE-9335716494,EMOLS-id_319834293	315.37	JOXDIFKYNCRQLG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073157
O=C(c1c[nH]nc1C1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319531923	315.37	WIMNCLTZDXJVCT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073158
O=C(c1[nH]c2c(c1)CCC2)NCCc1nnn(c1)C1CCOC1	MCULE-2082684938,EMOLS-id_320045245	315.37	WRHVUASGSOQROF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073159
O=C(c1n[nH]c2c1CCC2)N1CCCO[C@H](Cn2cccn2)C1	PC-id_99952884,ZINC22_216343388	315.37	OVAKCCWSBATMOH-LBPRGKRZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-073160
O=C(c1n[nH]c2c1CCC2)N1CCCO[C@@H](Cn2cccn2)C1	ZINC22_216343426,PC-id_99952887	315.37	OVAKCCWSBATMOH-GFCCVEGCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-073161
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1ncoc1C	EMOLS-id_319413495	315.37	CYRWNJMZWXZYJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073162
O=C(c1noc(c1)CN1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318972011	315.37	JCLGJZDSJWEHJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073163
O=C(c1noc(c1)CN1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319972459,MCULE-4756896080	315.37	AYNIENNMHCQPJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073164
OC(Cc1ccccc1)CNC(=O)NCc1nnc2n1CCC2	PC-id_111103859	315.37	FKPFAMLOWZGPAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073165
O(C(C)C)c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_60455627	315.37	VRWRBCUBQWGOTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073166
O[C@@H]1C[C@@H](C1)C(c1cnn(c1)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_55707440	315.37	PUIDHVYBVXTJQY-JRLADYGDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-073167
O=C(NCc1nnc2n1CCC2)NCC(c1ccccc1C)O	PC-id_111119537	315.37	HQAGTRQVUJBBMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073168
O=C(NCc1nnc2n1CCC2)NCC(c1ccccc1)(O)C	PC-id_111334526	315.37	VHDCFQJBBGSSJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073169
O=C(NCc1nnc2n1CCC2)NCCC(c1ccccc1)O	PC-id_111470931	315.37	YQFWZAPVNRKKIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073170
O=C(O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cc2n(n1)CCC2	ZINC22_952890153	315.37	VGCWBMZWEVDUIK-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073171
O=C(O)c1c[nH]nc1[C@H]1CCCCN1Cc1cc2n(n1)CCC2	ZINC22_952890154	315.37	VGCWBMZWEVDUIK-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073172
OC(=O)c1cn[nH]c1C1CCCCN1Cc1nn2c(c1)CCC2	EMOLS-id_316104642,MCULE-6712035111	315.37	VGCWBMZWEVDUIK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073173
n12C(=Nc3ccc(cc3)C)C(=Nc1ncc2)Nc1ccc(cc1)C	PC-id_11758864	315.372	FSGPURDWFWPZLI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-073174
C1CCC(CO1)Nc1ccnc(n1)NCc1nnc2n1CCC2	EMOLS-id_316061097,MCULE-3821013500	315.374	LLHILCBKVTWXRZ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-073175
C1CCC(CO1)Nc1ncnc(c1)NCc1nnc2n1CCC2	EMOLS-id_316057876,MCULE-8693104424	315.374	MOMNLRSIWBJUPH-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-073176
c1nc(NCc2nnc3n2CCC3)cc(N[C@@H]2CCCOC2)n1	ZINC22_328634320	315.374	MOMNLRSIWBJUPH-LLVKDONJSA-N	00000010100010100001000010000000000000000000000000000000	25-01-073177
c1nc(NCc2nnc3n2CCC3)cc(N[C@H]2CCCOC2)n1	ZINC22_328634321	315.374	MOMNLRSIWBJUPH-NSHDSACASA-N	00000010100010100001000010000000000000000000000000000000	25-01-073178
Cc1nn(c(n1)N)C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	MCULE-4291077508,EMOLS-id_320245030	315.374	UZTIBTHKXVLPQT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073179
CC(C)(C)c1ccc(NC(=O)NCc2nnc3n2CCC3)nn1	PC-id_75382220,ZINC22_95418819,MCULE-6658564589,EMOLS-id_48265073	315.374	KLDDRLAGPMFBAJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073180
CCn1nc(cc1C1CC1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319163821	315.374	GDPQZUUONDADBR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-073181
CC(n1ncc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C1CC1	EMOLS-id_319025689	315.374	ZVLUQUOIBVMDHH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-073182
CN(C)c1ncccc1CNC(=O)NCc1nnc2n1CCC2	PC-id_71894909,MCULE-2068596611,EMOLS-id_45752805,ZINC22_48372604	315.374	KLAOOYQSVZLGKV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073183
CN(Cc1nccc(c1)NC(=O)NCc1nnc2n1CCC2)C	EMOLS-id_316706556	315.374	VQHMAITWEPLSRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073184
CN(C)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1n1ccnn1	EMOLS-id_316088947,MCULE-2749754376,ZINC22_685940044	315.374	DLDZJUWVGQTXPR-OLZOCXBDSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073185
n12CCCc1nnc2CNc1nccc(N2CCCC(O)C2)n1	MCULE-4003862460,PC-id_135115232,EMOLS-id_317350744	315.374	BVZLCKDYPVUICH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073186
O=C(c1cn2c(n1)CCC2)N1CCN(CC1)c1nnc(n1C)C	EMOLS-id_319324281	315.374	YHRDOIVZEVJWES-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073187
O=C(c1cnc2n1CCC2)N1CCN(CC1)c1nnc(n1C)C	EMOLS-id_319593472	315.374	PZLZPLDMMCLTFG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073188
O=C(c1n(C)nc2c1CCC2)N1CCC(CC1)Cc1nnn[nH]1	EMOLS-id_319376279	315.374	WWKSCNCSSRILCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073189
O=C(c1nnn(c1)C1CCCNC1)Nc1n(C)nc2c1CCC2	EMOLS-id_102145476	315.374	LSFSZEXJKNEJPN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073190
O[C@@H]1CCCN(c2ccnc(NCc3nnc4n3CCC4)n2)C1	ZINC22_1704298682	315.374	BVZLCKDYPVUICH-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073191
O[C@H]1CCCN(c2ccnc(NCc3nnc4n3CCC4)n2)C1	ZINC22_1704298683	315.374	BVZLCKDYPVUICH-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-073192
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(nn1C)C1CCC1	EMOLS-id_319327147	315.374	QUTIQNOMPOEKOG-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-073193
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cnn(c1)C1CCCC1	EMOLS-id_319338086	315.374	ZLGHVQGXNCOTPO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073194
O=C(N1CCCCC1c1ncc[nH]1)NCc1nnc2n1CCC2	EMOLS-id_98731498	315.374	LIYSTEKZMRYSCE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073195
O=C(N1CCCCC1c1n[nH]cc1)NCc1nnc2n1CCC2	EMOLS-id_98538586	315.374	VAGCLFMACCCRSK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073196
O=C(N1CCCC(C1)n1nncc1)NC1CC(n2c1ncc2)C	EMOLS-id_102198784	315.374	VLFKEQOBIVIASP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073197
O=C(Nc1ccnn1C1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_45645658,MCULE-5345247065,PC-id_71934304	315.374	YZUCHZXXEFSPAH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073198
O=C(Nc1nccc(n1)C(C)(C)C)NCc1nnc2n1CCC2	MCULE-2146669045,EMOLS-id_320210786	315.374	ORVLECZJEPXBBS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073199
O=C(NCc1nnc2n1CCC2)N[C@@H]1CCC[C@@H]1n1ccnc1	EMOLS-id_316973780,ZINC22_891701599,PC-id_136588110,MCULE-3029376706	315.374	CCMVKXGTRGEXFE-NEPJUHHUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073200
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C(CC)CC	PC-id_56751485,EMOLS-id_36596257,ZINC22_67742827,MCULE-7565461781	315.385	UFQZUCVWMFEQAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073201
CC(Cc1cccc(c1)F)CC(=O)NCc1nn2c(c1)CCC2	EMOLS-id_177321643,MCULE-7629451767	315.385	ZOHFXDQUUFVMLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073202
CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc2n(n1)CCC2	ZINC22_451514789	315.385	YWRZWSBBYUQQKT-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073203
CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc2n(n1)CCC2	ZINC22_451514790	315.385	YWRZWSBBYUQQKT-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073204
CC(C(N(C(=O)c1nn2c(c1)CCC2)C)c1ccc(cc1)F)C	EMOLS-id_316888942,MCULE-2843989320	315.385	YWRZWSBBYUQQKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073205
Fc1cccc(c1)C1(CCOCC1)CNC1CCn2c1ncc2	EMOLS-id_318437106,MCULE-4662560709	315.385	LEVZAODKHIATLT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073206
Fc1ccc(cc1)C1(CCOCC1)CNC1CCn2c1ncc2	MCULE-6194918204,EMOLS-id_318365491	315.385	OYEOUKKGBAIOMZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073207
Fc1cccc(c1)C1(CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318392579,MCULE-3732016975	315.385	UAILNSANIUHKPQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073208
Fc1ccc(cc1)C1(CCOCC1)NCc1cnc2n1CCC2	MCULE-7063187624,EMOLS-id_318393092	315.385	JQCITOFNWYQRPU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073209
Fc1ccc(cc1)C1(CCOCC1)NCc1nn2c(c1)CCC2	EMOLS-id_318304887,MCULE-7308077557	315.385	YUVRAJJLYPGSFG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073210
Fc1ccc(cc1)C1OCCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318090301,MCULE-6054681910	315.385	GSODFTCMDJCKFR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073211
Fc1ccc(cc1)C1OCCC(C1)NCc1cnc2n1CCC2	MCULE-4264396112,EMOLS-id_318135982	315.385	KPDMYCCJVLOGSZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073212
Fc1ccc(cc1)C(C1CCCO1)NC1CC(n2c1ncc2)C	EMOLS-id_318364215,MCULE-1595407201	315.385	PKEKYNXQRBZBCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073213
Fc1ccc(cc1)[C@@H]1OCC[C@H]1CNC1CC(n2c1ncc2)C	MCULE-6907867882,EMOLS-id_320254645	315.385	YWZDPEZSLVPWPT-HCOPTFKYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073214
O=C(CC(c1ccc(cc1)F)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319226374	315.385	BTHNDERNPQXTTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073215
O=C(CC(c1ccc(cc1)F)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320186348,MCULE-3719245041	315.385	YVZFLSOYIIMSNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073216
c1(N=Cc2ccccc2O)sc2c(CCC2)c1C(=O)OCC	MCULE-6509066332,ChEMBL-DNDi_CHEMBL1539422	315.387	KKXLQCXBVYONKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073217
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)OC	CoCoCo_3314591,EMOLS-id_2756219,PC-id_577359,MCULE-5325515746,ZINC22_134086	315.387	IEUVDLUPIBCJOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073218
c1(NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	ZINC22_38699,ChEMBL-DNDi_CHEMBL2425-3385,MCULE-7005431499,SPECS-id_AT-084/J158101,CoCoCo_116403,PC-id_675831,SPECS-id_AG-690/11663680,SPECS-id_AN-153/I120919,EMOLS-id_1260436	315.387	PZJBMLYFCSPTSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073219
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-5003612545,STOCK1S-84083,EMOLS-id_802496,BAS-00679338,ZINC22_316026,CoCoCo_116693,PC-id_391238,SCHEMBL8290510,NSC690135	315.387	RCCZAXFZIZYXOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073220
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129456,MCULE-3299508477,PC-id_28860218	315.387	RIFGOJZBTHWUBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073221
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)OC	PC-id_675829,SPECS-id_AN-153/I120917,SPECS-id_AT-084/J158082,ChEMBL-DNDi_CHEMBL2425-3350,SPECS-id_AG-690/11663679,MCULE-9291702221,EMOLS-id_1078372,ZINC22_38696,CoCoCo_1701384	315.387	BRAOKWHYWLUEBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073222
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-8661352644,TIMTEC465782,PC-id_718801,CoCoCo_723765,SPECS-id_AT-225/NB59837,EMOLS-id_603391,ZINC22_118493	315.387	TVDMJSNNEDRSKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073223
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)O	PC-id_759995,MCULE-3023386540,STOCK1S-76006,SCHEMBL14825388,EMOLS-id_4407172,ZINC22_227466	315.387	ONJIWHSZSJRAHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073224
Cc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_6942879,PC-id_4828865,CoCoCo_2840941,MCULE-1669945985,EMOLS-id_3467799	315.387	RYUCBDPBMDWVDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073225
Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	EMOLS-id_3467801,PC-id_4828872,CoCoCo_2840943,MCULE-5458893794,ZINC22_6942880	315.387	WGVCKUUUFCZLGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073226
CC(c1ccc(cc1)NC(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_121980082,EMOLS-id_72665647,MCULE-9131683657	315.387	DMHRXFFVYJHJJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073227
CC(c1cccc(c1)NC(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_121985393,EMOLS-id_72676333,MCULE-2748570830	315.387	KDSBNJNTVMHWJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073228
CCN(C(=O)c1sc2c(c1)CCC2)c1cccc(c1)C(=O)O	EMOLS-id_318714494,MCULE-6900971811	315.387	HLVQMEHOIPVXFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073229
CC(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331230798	315.387	AZABWJQWKZRKQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073230
CCOC(=O)c1c2CCCc2sc1/N=C/c1ccccc1O	ZINC22_13126803,EMOLS-id_26258041,PC-id_135473192,STOCK1S-79822	315.387	KKXLQCXBVYONKC-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073231
CCOC(=O)c1ccccc1NC(=O)c1sc2c(c1)CCC2	PC-id_2478235,EMOLS-id_3286143,CoCoCo_3351069,MCULE-7518031266	315.387	WGRUKJCDQDPPRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073232
CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	MCULE-3002886313,ZINC22_3230820,CoCoCo_3336377,ChEMBL-DNDi_CHEMBL1299906,PC-id_2348924,EMOLS-id_2985878,CHEMBL1299906	315.387	ZVJQBRXUVCZMRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073233
CCOC(=O)c1c(sc2c1CCC2)N=Cc1ccc(cc1)O	PC-id_135681320	315.387	UDNGCSJOUAZBRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073234
CCSc1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_23333115,SCHEMBL11435694	315.387	QDZHGLWNMITMCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073235
CCSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11437021,PC-id_23333080	315.387	QFSCFSUXTZKLDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073236
CCSc1ccccc1C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11451602,PC-id_23333084	315.387	TUUGVOIHVZPUCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073237
CCSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	PC-id_70585615,SCHEMBL11435698	315.387	OJMDHSWMPKIYIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073238
CN(C(=O)COC(=O)c1cc2c(s1)CCC2)c1ccccc1	ZINC22_5308599,CoCoCo_2840930,EMOLS-id_3610463,MCULE-6742933287,PC-id_7623822	315.387	YFCJMTAZMIRDCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073239
COC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CCC3)c1	ZINC22_8943427,MCULE-5619848827,EMOLS-id_2890594,PC-id_16234218,CoCoCo_3302325	315.387	GLIHLPSHDNGRLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073240
COC(=O)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_3346567,ZINC22_13135195,MCULE-6756706535,PC-id_17391001,EMOLS-id_15243457	315.387	GZIVHVFFAZWGMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073241
COC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	PC-id_20235128,SCHEMBL10813517	315.387	GORMEGFTSUOPJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073242
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)SC	PC-id_23333082,SCHEMBL11443579	315.387	IIYNRTUDZWYMBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073243
COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1SC	SCHEMBL11435686,PC-id_23333093	315.387	WQXMHGAUGKIUBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073244
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)SC	SCHEMBL11435689,PC-id_70585613	315.387	BHKWSFFBGPURLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073245
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)SC	SCHEMBL11451585,PC-id_13486991	315.387	KXWQEYMVMPKKAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073246
COC(=S)C1CCn2c1ccc2C(=O)c1ccc(cc1)OC	PC-id_20492839,SCHEMBL11158093	315.387	QGXJNLKBMLECPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073247
CSc1cc2n(c1C(=O)c1ccc(C)cc1)CCC2C(=O)O	CHEMBL279079,PC-id_13687503,SCHEMBL10816791	315.387	LOTRHVCRNJVEOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073248
CSc1ccc(cc1)C(=O)c1ccc2n1CCC2(C)C(=O)O	SCHEMBL11441781,PC-id_23333075	315.387	QNKOFOXZDSAOAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073249
CSc1cccc(c1)C(=O)C1(C(=O)O)C(C)Cn2c1ccc2	SCHEMBL11441782,PC-id_70586797	315.387	OLXIWIFMJZCWFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073250
O=C(c1ccccc1)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	SCHEMBL21253132,PC-id_139396783	315.387	WRUNQVRGYPFMGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073251
O=C(c1sc2c(c1)CCC2)Nc1cc(C(=O)O)c(cc1C)C	MCULE-1574672931,PC-id_120483442,EMOLS-id_72190190	315.387	RGYNTZKWYLROSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073252
O=C(c1sc2c(c1)CCC2)N(Cc1ccc(cc1)C(=O)O)C	EMOLS-id_51266514,MCULE-9194816829,PC-id_121698846	315.387	BUMFCNANOVOMRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073253
O=C(c1sc2c(c1)CCC2)NCCc1ccc(cc1)C(=O)O	EMOLS-id_50996065,MCULE-6184185289	315.387	VFIACFBGAVCIGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073254
O=C(c1sc2c(c1)CCC2)NCCc1cccc(c1)C(=O)O	EMOLS-id_51754032,PC-id_120241515,MCULE-2939436591	315.387	RECTXNVQAOFHMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073255
O=C(c1sc2c(c1)CCC2)NCC(c1ccccc1)C(=O)O	MCULE-3529886882,PC-id_119254528,EMOLS-id_71409455	315.387	YLPUPUQXKYKAAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073256
O=C(c1sc2c(c1)CCC2)NC(C(=O)O)Cc1ccccc1	MCULE-7455938448,PC-id_121697674,EMOLS-id_50914461	315.387	PXGBJRUWLASIJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073257
O=C(c1sc2c(c1)CCC2)N[C@@H](C(=O)O)Cc1ccccc1	PC-id_119367305,MCULE-4530522214,EMOLS-id_52545432	315.387	PXGBJRUWLASIJW-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073258
O=C(c1sc2c(c1)CCC2)N[C@H](C(=O)O)Cc1ccccc1	PC-id_121699547	315.387	PXGBJRUWLASIJW-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073259
O=C(COC(=O)c1cc2c(s1)CCC2)NCc1ccccc1	CoCoCo_2840962,PC-id_7291960,ZINC22_4581570,EMOLS-id_43696778,MCULE-2724637080	315.387	JOSAZQUIHPGHMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073260
O=C(N(C(c1ccccc1)C(=O)O)C)c1sc2c(c1)CCC2	MCULE-7307575749,EMOLS-id_318427365	315.387	FPASCOCDKDFJQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073261
OC(=O)Cc1cccc(c1)N(C(=O)c1sc2c(c1)CCC2)C	MCULE-9054129188,EMOLS-id_318736497	315.387	PRNVZDSDGPMUEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073262
OC(=O)CCc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	MCULE-9118832456,PC-id_119252158,EMOLS-id_52298243	315.387	SGAKLZANIJNQHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073263
OC(=O)CCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_120481075,EMOLS-id_57177707,MCULE-1495959727	315.387	SNIXSMZKOREMBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073264
OC(=O)C(CC(=O)N1Cc2c(C1)csc2)Cc1ccccc1	PC-id_15337447,SCHEMBL8403230	315.387	IWSPDCNACIRUQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073265
OC(=O)[C@H](CC(=O)N1Cc2c(C1)csc2)Cc1ccccc1	SCHEMBL8401339,PC-id_15337448	315.387	IWSPDCNACIRUQD-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073266
OC(=O)[C@@H](CC(=O)N1Cc2c(C1)csc2)Cc1ccccc1	SCHEMBL8401355,PC-id_15337449	315.387	IWSPDCNACIRUQD-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073267
OC(=O)CN(C(=O)c1sc2c(c1)CCC2)Cc1ccccc1	MCULE-9879292060,EMOLS-id_51467228,PC-id_121852773	315.387	FCDOTSQXQNYZOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073268
s1c2CCCc2cc1C(=O)NCC(=O)OCc1ccccc1	PC-id_29366209	315.387	PJRJSBQUHFMFJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073269
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccccc1)C	PC-id_16505623	315.387	DWBRJLMQYYUFBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073270
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C	PC-id_7291952	315.387	IHSXTIFMZWWFJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073271
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccccc1)C	PC-id_7291891	315.387	DWBRJLMQYYUFBX-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-073272
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccccc1)C	PC-id_7291893	315.387	DWBRJLMQYYUFBX-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073273
s1c2c(CCC2)c(c1N/C=C/1C=CC(=O)C=C1)C(=O)OCC	PC-id_23939199	315.387	LMISOGTUUPGYLP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-073274
s1c2CCCc2c(c1N=Cc1ccc(OC)cc1)C(=O)OC	PC-id_24133710	315.387	KTXZSESZLBTGIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073275
s1c2c(CCC2)c(c1N/C=C
/C(=O)C=CC=C1)C(=O)OCC	PC-id_5397608	315.387	BHHQRRKUEBWWOK-ZHACJKMWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-073276
s1c2c(CCC2)c(c1N/C=C/1C(=O)C=CC=C1)C(=O)OCC	PC-id_6537465	315.387	BHHQRRKUEBWWOK-KHPPLWFESA-N	00000010100011000000000010000000000000000000000000000000	25-01-073277
s1c2c(CCC2)c(c1NC=C1C(=O)C=CC=C1)C(=O)OCC	PC-id_6740439	315.387	BHHQRRKUEBWWOK-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-073278
s1c2CCCc2c(c1N=Cc1c(OC)cccc1)C(=O)OC	PC-id_24017637	315.387	MJCJAYKMBADHIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073279
s1c2c(C[C@@](OC(=O)[C@@H](N)Cc3ccccc3)(C2=O)C)cc1	PC-id_11415797	315.387	QYXNGQGGMIJGPG-SUMWQHHRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073280
s1c2c(C[C@](OC(=O)[C@@H](N)Cc3ccccc3)(C2=O)C)cc1	PC-id_11449887	315.387	QYXNGQGGMIJGPG-GUYCJALGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073281
Cc1ccccc1C[n+]1ccc(cc1)/C=C/1Cn2c(C1=O)ccc2	CoCoCo_4397271,PC-id_16314790	315.388	HWVHXZWAVIFSGB-CPNJWEJPSA-N	00000010100000111000000010000000000000000000000000000000	25-01-073284
Cc1ccccc1C[n+]1ccc(/C=C/Cn3cccc3C2=O)cc1	ZINC22_9498973,CoCoCo_4397272	315.388	HWVHXZWAVIFSGB-UYRXBGFRSA-N	00000010100000111000000010000000000000000000000000000000	25-01-073285
Cc1c(C[n+]2ccc(C=C3C(=O)c4n(ccc4)C3)cc2)cccc1	PC-id_18532483,MCULE-2136999665	315.388	HWVHXZWAVIFSGB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-073286
CC(c1nn2c(c1)CCC2)NC1CCN(C1)c1ncccc1F	EMOLS-id_318368073,MCULE-1013165599	315.388	MMNZWIJDSYDETO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-073287
Fc1cccc(c1CNC1CC(n2c1ncn2)C)N1CCCC1	MCULE-2156877174,EMOLS-id_318717217	315.388	GDVZTJOJZRILPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073288
Fc1ccccc1N1CCC(C1)CNC1CC(n2c1ncn2)C	EMOLS-id_318753349,MCULE-4879071405	315.388	PHCAJNLJVCNPQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073289
Fc1ccc(cc1)N1CCC(C1)CNC1CC(n2c1ncn2)C	MCULE-1970873062,EMOLS-id_318641077	315.388	FMIWNFIUQBJYDI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073290
Fc1cccc(c1)N1CCCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318496961	315.388	FURJXSQQXGOPPI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073291
Fc1cccc(c1)N1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318673360	315.388	SQDNHZQAXFXRGQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073292
Fc1ccccc1N1CCCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318740593	315.388	OVADOKVUVXNVLS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073293
Fc1ccc(cc1)N1CCC(CC1)NCc1nnc2n1CCC2	EMOLS-id_318420967,MCULE-1771993219	315.388	VEAYQWWADUJLNK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073294
CC(CC1COCCN1S(=O)(=O)c1cnc2n1CCC2)O	EMOLS-id_100208497	315.389	ZDAYZYXMJHXDOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073295
CC(CC(C(=O)O)CNS(=O)(=O)c1cnc2n1CCC2)C	PC-id_120660502,MCULE-8449580797,EMOLS-id_72209154	315.389	XZFSKPCPTKFNQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073296
CCn1c2CN(Cc2nc1S(=O)(=O)C)C(=O)OC(C)(C)C	SCHEMBL17380922,PC-id_118614641	315.389	POBWSIMSEYWWQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073297
CCS(=O)(=O)c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	PC-id_118614331,SCHEMBL17380599	315.389	FJJCEDXEDPFHGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073298
Cn1ncc2c1CN(C2)S(=O)(=O)CC1COCC(O1)(C)C	EMOLS-id_319019539	315.389	AQSMADAMNCNTOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073299
COC(C1CCCOC1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318961726	315.389	WPILFIOKZTUTGS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073300
COC(C1CCCOC1)CS(=O)(=O)N1CCn2c1ncc2	MCULE-7266119036,EMOLS-id_319869651	315.389	ZXLZMVYEFSMSSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073301
COCC1OC(C)CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101117997	315.389	SWHSQZOLPNEAOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073302
COCCC1COCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99740018	315.389	CUFLCLXDXIDBRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073303
OC1(CCNS(=O)(=O)c2cnc3n2CCC3)CCOCC1	EMOLS-id_98572927	315.389	QYBRSUPTEMFULS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073304
CC(C1CC1)n1nc2CCC(C)c2c1I	MCULE-2331022084,EMOLS-id_330964668	316.181	JEIIFTSYNAHCQL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-073672
OCC1(CCOCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231342	315.389	WDNNPCRQUCWOKH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073305
OC(C1CCOCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100232224	315.389	OQFZEZGPNLQZMA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073306
OCC(C1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100382584	315.389	VXNDZDCEQNFLPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073307
OCCOC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224772	315.389	KBWZRBABQZJFAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073308
O=C(N1Cc2c(C1)nc([nH]2)S(=O)(=O)C(C)C)OC(C)(C)C	PC-id_118614045,SCHEMBL17380310	315.389	WVRNZTHAVLHDEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073309
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)COCC)C1	PC-id_7484573	315.389	NJQFNIMMDOUIQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073310
c1(cc2c(CCC2)s1)C(=O)N1CCOC(c2cnccn2)C1	PC-id_110103219,EMOLS-id_234209,BDE-32037292,MCULE-1945257726	315.39	QUFKCTJRDKPRJB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073311
c1(NC(=O)c2cc(C)cc(C)n2)sc2c(CCC2)c1C(=O)N	MCULE-7767089297,PC-id_19224327	315.39	ANBCCVSFUYUBDI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073312
c1(NC(=O)c2cc(on2)CC(C)C)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBL1550595,CHEMBL1550595,MCULE-9417446764,PC-id_9549987,ZINC22_2498114,TIMTEC86380,EMOLS-id_2593852	315.39	BTWFOZDRYNSXRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073313
c1(NC(=O)c2cncc(C)c2)sc2c(CCC2)c1C(=O)NC	MCULE-4387502690,EMOLS-id_334334160	315.39	PWMWMRIXWKDIMP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073314
c1(NC(=O)C=Cc2ccc(cc2)OC)n(C)nc2CSCc12	MCULE-6802924845	315.39	GZTOENZYUMHBFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073315
c1(NC(=O)Nc2ccccc2C)sc2c(CCC2)c1C(=O)N	MCULE-8107201424,PC-id_19165604	315.39	IDUGSHCGBLDPAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073316
c1(NC(=O)Nc2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	PC-id_3927691,MCULE-9658110746	315.39	ZZEXRHHKNUZJRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073317
Cc1ccc(O)c(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1	EMOLS-id_324849896	315.39	RFBBHMJKYOCPGP-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073318
Cc1cc(=O)c(cn1C1CC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318710050	315.39	UCEPCVWZRSQVIK-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-073319
CCc1nc2s/c(=Cc3cccc(OC(C)C)c3)/c(=O)n2n1	EMOLS-id_324842731	315.39	FDYKIMYBXSQTDA-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-073320
CCCc1nc2s/c(=Cc3cccc(OCC)c3)/c(=O)n2n1	EMOLS-id_324846820	315.39	BHNCKXMEQGIMCE-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073321
CCCc1nc2s/c(=Cc3ccc(OCC)cc3)/c(=O)n2n1	EMOLS-id_324843759	315.39	ACYIQJGEOMBRLE-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073322
CC(C)Cc1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324860132	315.39	XHCCZSWWYPUGIF-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073323
CCC(CC)c1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324851950	315.39	XNISLYKJXYTFPW-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-073324
CCC(CC)c1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324851947	315.39	KVYWQCHOUDIWJR-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-073325
CCCCCOc1ccccc1/C=c
/sc2n(c1=O)ncn2	EMOLS-id_585058,STOCK3S-31871,ZINC22_2364752	315.39	SFUKNSYLMPWUKV-GXDHUFHOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073326
CCCCCOc1ccc(cc1)/C=c/1sc2n(c1=O)ncn2	STOCK2S-37867,EMOLS-id_4438047,ZINC22_13115991	315.39	CPEAINGECMNXQV-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073327
CCCCCOc1ccccc1/C=c/1sc2ncnn2c1=O	ZINC22_33363126	315.39	SFUKNSYLMPWUKV-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073328
CCCCCOc1ccc(/C=c/sc3ncnn3c2=O)cc1	EMOLS-id_207280644,ZINC22_1821571	315.39	CPEAINGECMNXQV-GXDHUFHOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073329
CC(CNC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2)C	PC-id_22976087,SCHEMBL7152036	315.39	SMAJJZHMLCIUIU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-073330
CC(CNC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2)C	PC-id_70005375,SCHEMBL7152033	315.39	SMAJJZHMLCIUIU-IZZDOVSWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-073331
CC(CNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2)C	SCHEMBL7152028	315.39	SMAJJZHMLCIUIU-WDZFZDKYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-073332
CCCNC(=O)c1sc2c(c1)N(CC2)C(=O)c1cccnc1	PC-id_97407181	315.39	ZYVFPUDGLDKUJT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073333
CCCNC(=O)Cc1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	PC-id_139979580	315.39	PSAPYXCVEFXIAG-GHXNOFRVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-073334
CCCOc1cccc(/C=c/2sc3nc(CC)nn3c2=O)c1	EMOLS-id_324841707	315.39	BBSJTGHFDMAQOV-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073335
CC(C(=O)Nc1sc2c(n1)CCC2)NC(=O)c1ccccc1	EMOLS-id_33325215,MCULE-5343761385,PC-id_51108441	315.39	BGVSTHQQZSVQET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073336
C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCC2	PC-id_94825572,ZINC22_58433301	315.39	BGVSTHQQZSVQET-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073337
C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_58433298,PC-id_94825571	315.39	BGVSTHQQZSVQET-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-073338
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1	EMOLS-id_324845801	315.39	YMBYWEUKRJZNBZ-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-073339
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)C)c1	EMOLS-id_324848877	315.39	MKSMWBPGEARHEC-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-073340
CC(=O)Nc1ccc(CC(=O)Nc2nc3CCCc3s2)cc1	MCULE-6998681547,EMOLS-id_13396412,ZINC22_8750282,CoCoCo_4164323,PC-id_16268213	315.39	RBYJLUILCOBLEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073341
CNc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_70335694,SCHEMBL8290772	315.39	ZRNNYVWAZFHWSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073342
CN(c1ccc(cn1)NC(=O)c1sc2c(c1)CCC2)C(=O)C	EMOLS-id_318573897	315.39	UNZVQZHYNAPUEJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073343
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccco1	MCULE-2047668248,EMOLS-id_11855253,CoCoCo_3592442,ZINC22_9513844,PC-id_16385634,CoCoCo_3592441	315.39	OEGFFLFCUYIWTD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073344
CNC(=O)[C@@H]1CCc2c1nc(s2)NC(=O)c1ccc(cc1)C	CoCoCo_5124804	315.39	BBSDXDYLBLESPJ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073345
CNC(=O)[C@H]1CCc2c1nc(s2)NC(=O)c1ccc(cc1)C	CoCoCo_5124805	315.39	BBSDXDYLBLESPJ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-073346
CNC(=O)Nc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_177205789,MCULE-8211860261	315.39	HLLOOEIORJZBIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073347
CNC(=O)Nc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_86918448	315.39	JPBPCNKRBGHUSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073348
COc1ccccc1/C=c/1sc2nc(CC(C)C)nn2c1=O	EMOLS-id_324856047	315.39	OPNBFISFEDBPTM-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-073349
COc1ccccc1/C=c/1sc2nc(nn2c1=O)C(C)(C)C	EMOLS-id_324849891	315.39	TZUNBVRMLAVWBF-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073350
COc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1	EMOLS-id_324854510	315.39	AXOBMJBRKOXLTD-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-073351
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324852449	315.39	ZKWMENSBTCYDPW-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073352
COc1cccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)c1	EMOLS-id_324857071	315.39	KCAMLQVAIGGMLJ-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-073353
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1	EMOLS-id_324850915	315.39	JRYDNVFDDLGIDZ-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073354
COc1ccc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc1	EMOLS-id_334564792	315.39	GZTOENZYUMHBFJ-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073355
COCc1nc2s/c(=Cc3ccc(cc3)C(C)C)/c(=O)n2n1	EMOLS-id_324898816	315.39	YBFXPJJOBYXSHB-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073356
n12c(=O)c(=Cc3ccc(cc3)OCC)sc1nc(C(C)C)n2	MCULE-6352170085	315.39	YMBYWEUKRJZNBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073357
n12c(=O)c(=Cc3ccccc3OC)sc1nc(C(C)(C)C)n2	MCULE-6152664078	315.39	TZUNBVRMLAVWBF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073358
n12c(=O)c(=Cc3cc(C)ccc3O)sc1nc(C(C)(C)C)n2	MCULE-6196918680	315.39	RFBBHMJKYOCPGP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073359
n12c(=O)c(=Cc3cccc(O)c3)sc1nc(C(CC)CC)n2	MCULE-3811065527	315.39	XNISLYKJXYTFPW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073360
n12c(=O)c(=Cc3cccc(OC)c3)sc1nc(C(C)(C)C)n2	MCULE-4606592889	315.39	JRYDNVFDDLGIDZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073361
n12c(=O)c(=Cc3cccc(OCC)c3)sc1nc(C(C)C)n2	MCULE-3285778201	315.39	MKSMWBPGEARHEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073362
n12c(=O)c(=Cc3ccc(O)cc3)sc1nc(C(CC)CC)n2	MCULE-4236990536	315.39	KVYWQCHOUDIWJR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073363
n12c(=O)c(=Cc3ccc(OC)cc3)sc1nc(C(C)(C)C)n2	MCULE-8795305459	315.39	ZKWMENSBTCYDPW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073364
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CC(C)C	MCULE-1475370166	315.39	OPNBFISFEDBPTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073365
n12ncnc1sc(=Cc1ccccc1OCCCCC)c2=O	MCULE-4341201035,EMOLS-id_299973252	315.39	SFUKNSYLMPWUKV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073366
n12ncnc1sc(=Cc1ccc(cc1)OCCCCC)c2=O	MCULE-6577975687	315.39	CPEAINGECMNXQV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073367
BrCCC(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_114316763,EMOLS-id_314480618	316.257	JDPIYRPKOVJQTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073695
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)CC(C)C	MCULE-3544307798	315.39	XHCCZSWWYPUGIF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073368
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)COC	MCULE-7845920554	315.39	YBFXPJJOBYXSHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073369
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CC(C)C	MCULE-6086437317	315.39	KCAMLQVAIGGMLJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073370
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCC	MCULE-1955427434	315.39	BHNCKXMEQGIMCE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073371
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CC	MCULE-1859786825	315.39	FDYKIMYBXSQTDA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073372
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CC	MCULE-2727844208	315.39	BBSJTGHFDMAQOV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073373
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)CC(C)C	MCULE-7994710055	315.39	AXOBMJBRKOXLTD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073374
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)CCC	MCULE-2219376018	315.39	ACYIQJGEOMBRLE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073375
N#Cc1c(NC(=O)CN[C@H](c2ccco2)C)sc2c1CCC2	PC-id_41193414,CoCoCo_4129550	315.39	ZXBXVWAKVINYMB-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-073376
N#Cc1c(NC(=O)CN[C@@H](c2ccco2)C)sc2c1CCC2	PC-id_41193418,CoCoCo_4129551	315.39	ZXBXVWAKVINYMB-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073377
O=c1cc(CNC(=O)c2sc3c(c2)CCC3)nc([nH]1)C1CC1	EMOLS-id_319527945	315.39	DKECSZRPRKGJSJ-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-073378
Oc1ccnc(n1)C1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_319333233	315.39	XNKOOOIBLOODMA-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-073379
O=C1OCCN1c1ccc(cc1)CNc1sc2c(n1)CCC2	EMOLS-id_318551050,MCULE-1429072437	315.39	LJRXZWDNUYHOEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073380
O=C(c1cc2c(s1)CCC2)N1CCO[C@@H](c2cnccn2)C1	ZINC22_257294453	315.39	QUFKCTJRDKPRJB-CYBMUJFWSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073381
O=C(c1cc2c(s1)CCC2)N1CCO[C@H](c2cnccn2)C1	ZINC22_257294454	315.39	QUFKCTJRDKPRJB-ZDUSSCGKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073382
O=C(c1ccc(cc1)C(=O)N(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318534816	315.39	NYNPSXYUORLJJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073383
O=C(c1cccc(c1)C(=O)N(C)C)Nc1sc2c(n1)CCC2	EMOLS-id_318536296	315.39	SNLQMXLDBNUAOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073384
O=C(c1cccc(c1)C(=O)N)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318224217	315.39	CLDWRCCJURDTEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073385
O=C(c1c(sc2c1CCC2)NC(=O)c1ccnn1C)C1CC1	EMOLS-id_101170491	315.39	PLIQIWULOUAQEE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-073386
O=C(c1sc2c(c1)CCC2)Nc1ccnc(c1)C(=O)N(C)C	EMOLS-id_318662839	315.39	AJGUKBSAAWFNJZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073387
O=C(CCNC(=O)c1ccccc1)Nc1nc2c(s1)CCC2	PC-id_17402520,EMOLS-id_11917481,ZINC22_9483209,CoCoCo_4164167,MCULE-1925964768	315.39	BPQVCHDCEZQOHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073388
O=C([C@@H]1CCO[C@H]1c1cccnc1)Nc1sc2c(n1)CCC2	EMOLS-id_318657631	315.39	WQFXDPVRFLKDPF-RISCZKNCSA-N	00000010100000101001100010000000000000000000000000000000	25-01-073389
O=C([C@@H]1CCO[C@H]1c1ccncc1)Nc1sc2c(n1)CCC2	EMOLS-id_318541068	315.39	IXQMAKJXUJDCEF-RISCZKNCSA-N	00000010100000101001100010000000000000000000000000000000	25-01-073390
O=C(N1CC(C1)Oc1ccccc1)Nc1sc2c(n1)CCC2	EMOLS-id_318614079	315.39	INBGSTGDRPATTD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-073391
O=C(Nc1sc2c(c1C(=O)N)CCC2)Nc1cccc(c1)C	SCHEMBL8288770,PC-id_3962171	315.39	NNXHFQLLUCYUNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073392
O=C(Nc1sc2c(c1C(=O)N)CCC2)NCc1ccccc1	CoCoCo_6463156,PC-id_35572152	315.39	WRDYROKKUJNQPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073393
O=C(Nc1sc2c(n1)CCC2)CNC(=O)Cc1ccccc1	PC-id_33040854,EMOLS-id_318430246	315.39	FYTFESWFCWWDIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073394
O=C(NNC(=O)c1sc2c(c1)CCC2)NCc1ccccc1	GD-id_ZINC25110062	315.39	LXJSIRVBFCREMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073395
s1c2CCCc2c(c1NC(=O)CNC(c1occc1)C)C#N	PC-id_16353494	315.39	ZXBXVWAKVINYMB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073396
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NC	PC-id_16947516	315.39	BBSDXDYLBLESPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073397
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCC	PC-id_16947039	315.39	JVOIHDUOJOYQBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073398
s1c2CCCc2nc1NC(=O)CNC(=O)c1c(cccc1)C	PC-id_46564982	315.39	NPIXJHVHHVSJJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073399
S(=O)(=O)(CCC(N)C(=O)NC(c1n2CCCc2nn1)C)C	PC-id_43698135	315.392	XYOAGFFQXXPEHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073400
S(=O)(=O)(CCC(N)C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_60964145	315.392	YYWPWMIRNUZJTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073401
c12CN(Cc1n(nc2)CCO)Cc1ccc(c2cc[nH]n2)s1	PC-id_77083328,MCULE-3055910823,ZINC22_215338688,EMOLS-id_49874774	315.393	YZYQAMNKSBSNDJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-073402
c12SCCn1cc(CNC(=O)c1cnc(nc1C)C1CC1)n2	ZINC22_97772769,PC-id_74248537,EMOLS-id_49676512,MCULE-2086881337	315.393	FUTXFJMRGTYFBD-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-073403
c1(C(=O)NCCc2sc3c(CCC3)n2)cnn2ccn(C)c12	EMOLS-id_68941736,ZINC22_299796677,MCULE-9209247097,PC-id_118795962	315.393	PDMQOJVRBACRLD-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-073404
N#Cc1c(NC(=O)c2ccn(c2C)C(C)C)nc2n1CCS2	EMOLS-id_318614611	315.393	SNHNWOKZTTUTTP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-073405
N#Cc1c(NC(=O)C2CCN(CC2)CC#C)nc2n1CCS2	PC-id_72132799,MCULE-3818230915,EMOLS-id_42894993	315.393	ZBVYVDDQGAEFTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073406
O(c1ccc(CCN/C(=[NH+]/Cc2n3CCCc3nn2)/N)cc1)C	PC-id_52508173	315.393	KQKKGZKPSRJLBY-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-073407
O=C1CCCN1c1ncc(nc1)NCc1sc2c(n1)CCC2	MCULE-1309534701,EMOLS-id_318573599	315.393	NPYYOIXOKSBVBP-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-073408
O=C(c1cc2c(s1)n(nc2C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110808790	315.393	HFHJFJFXVQKPMV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-073409
O=C(c1cncc(n1)N1CCCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318651145	315.393	UPAPNOPFBAINMS-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-073410
O=C(Cc1cn2c(n1)scc2C)NCc1cnc2n1CCC2	EMOLS-id_319154002	315.393	DXRMRXFNRJXETJ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-073411
O=C(Cc1cn2c(n1)sc(c2)C)NCc1cnc2n1CCC2	EMOLS-id_319833409	315.393	KBVKYNUKALTRNP-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-073412
O=C(Cc1cn2c(n1)sc(c2)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320112837,MCULE-4585771471	315.393	ZKMSKFKDFWZJKX-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-073413
Cc1sc2c(c1)CN(C2)C(c1ccccc1F)C(=O)C1CC1	SCHEMBL12660688,PC-id_68343495	315.405	QEVHBIYVRAHRJQ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-073414
O=C(c1sc2c(c1)CCC2)NC1(COC1)CS(=O)(=O)C	EMOLS-id_316705055	315.408	XQEXISAECUKERK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-073415
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)C1CCCOC1	EMOLS-id_111819817	315.408	PCDCJNJKCLTDBN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-073416
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)CC1CCCO1	EMOLS-id_111908915	315.408	WROQZWNECOTWRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073417
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)C1CCCC1	PC-id_105360703	315.408	GFJVLLSNORLUNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073418
s1c2c(CCC2)c(c1NC(=O)CSCCOC)C(=O)O	PC-id_43359879	315.408	RALTVAYMLHTFRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073419
c12CN(Cc1n(nc2)CCO)Cc1c(C)cc(c(C)c1C)OC	EMOLS-id_49874372,PC-id_77083107,MCULE-6718922611,ZINC22_215320789	315.41	MYVYLMOPRYWWGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073420
C1Cc2c(n(c(=O)n2C1)CCCCNCCc1ccccc1)O	PC-id_91930433,BindingDB_PC-id_91930433	315.41	FUJCNTVTSNYARJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073421
c1(CN(C)Cc2ccc(C3CCCCO3)o2)c2CCCc2[nH]n1	PC-id_74251328,EMOLS-id_49682176,MCULE-8690698642	315.41	QTZFNZPDPAYZRU-UHFFFAOYSA-N	00000010101010000001100010000000000000000000000000000000	25-01-073422
CCCCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109313	315.41	LLDXDKCLLGLQOB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073423
CC(CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109315	315.41	FVSHVZGFHGRFSA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073424
CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1[nH]nc2c1CCC2	PC-id_97941640,ZINC22_97823223	315.41	QTZFNZPDPAYZRU-QGZVFWFLSA-N	00000010101010000001100010000000000000000000000000000000	25-01-073425
CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1[nH]nc2c1CCC2	ZINC22_97823220,PC-id_97941639	315.41	QTZFNZPDPAYZRU-KRWDZBQOSA-N	00000010101010000001100010000000000000000000000000000000	25-01-073426
COc1cc(ccc1OC)C(NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318106680	315.41	IGLSRZIZWHTUSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073427
COc1cc(CCC(C)NCc2n[nH]c3CCCc23)ccc1O	EMOLS-id_32376640,MCULE-8007942937,PC-id_50952621	315.41	PUBUOHPVDUWEAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073428
COc1cc(CC[C@@H](C)NCc2n[nH]c3c2CCC3)ccc1O	PC-id_95193284,ZINC22_67561257	315.41	PUBUOHPVDUWEAB-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073429
COc1cc(CC[C@H](C)NCc2n[nH]c3c2CCC3)ccc1O	ZINC22_67561253,PC-id_95193283	315.41	PUBUOHPVDUWEAB-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073430
O=C(c1c(C)[nH]c2c1CCC2=O)N1CCCC1CN1CCCC1	SCHEMBL5628863,PC-id_21957599	315.41	UTODRTLVAVATJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073431
O=C(c1c(C)[nH]c2c1CCC2=O)N1CCC[C@H]1CN1CCCC1	PC-id_58697854,SCHEMBL5255325	315.41	UTODRTLVAVATJX-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073432
O=C(C(C)(C)C)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109314	315.41	LFVJILHKGGOBFH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073433
C1CN(CCC1S(=O)(=O)N)C(=O)c1cc2c(s1)CNC2	PC-id_135331003	315.412	KXIHRSIBVKJYGZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-073434
CSCC[C@H](C(=O)O)NC(=O)Nc1sc2c(n1)CCC2	PC-id_104910082	315.412	XUFQNXMLNLMSTA-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073435
CS(=O)(=O)N1CCCC1C(=O)Nc1nc2CCCc2s1	PC-id_49698335,MCULE-9956554188,EMOLS-id_43484031	315.412	NXQIFXLIRRRWPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073436
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(s1)CCC2	PC-id_93987686,ZINC22_44357121	315.412	NXQIFXLIRRRWPK-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073437
CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(s1)CCC2	ZINC22_44357125,PC-id_93987687	315.412	NXQIFXLIRRRWPK-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-073438
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)S(=O)(=O)N	EMOLS-id_110180557,PC-id_61130326	315.412	QUNRFEYKRZNUOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073439
O=C(Nc1sc2c(n1)CCC2)CN1CCS(=O)(=O)CC1	EMOLS-id_98016414	315.412	ZGASEFXBHSOVAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073440
s1c2CCCc2nc1NC(=O)NC(CCSC)C(=O)O	PC-id_61509956	315.412	XUFQNXMLNLMSTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073441
s1c2CCCc2nc1NC(=O)N[C@@H](CCSC)C(=O)O	PC-id_61509921	315.412	XUFQNXMLNLMSTA-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073442
S1(=O)(=O)CC(NCC1)CC(=O)Nc1sc2CCCc2n1	PC-id_80520248	315.412	NLRMCJSUHXODTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073443
c12CN(Cc1n(nc2)CCO)Cc1cncn1C1CCCCC1	EMOLS-id_55606334,ZINC22_244873005,PC-id_91829048,MCULE-1755627774	315.413	WIGDHUKXLWJHRW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073444
c1(cc(nn1C)CC(C)C)C(=O)N(C)Cc1[nH]nc2CCCc12	ZINC22_67872642,PC-id_50965886,EMOLS-id_32401748,MCULE-4236334489	315.413	CDPQLMBURKVLMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073445
c1(NC(=O)CSc2ccccn2)sc2c(CCC2)c1C#N	MCULE-7532502275,ZINC22_2730395,PC-id_7025992,CoCoCo_6256141,EMOLS-id_7727331,SPECS-id_AN-153/I135555	315.413	DIKGXPAFHCOVFG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073446
CC1CC(c2n1ncn2)NCC(c1ccco1)N1CCCCC1	EMOLS-id_279081282	315.413	PJSFUXKYIXVINM-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-073447
Cc1ccc(o1)C(N1CCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_279082626	315.413	SIXWLHGOFBZFAJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-073448
Cc1c(c(nn1Cc1nn2CCCc2c1)C)C1COCCN1C	PC-id_136552855,MCULE-9705379439,EMOLS-id_316876778	315.413	IYIDFXASTLZGQS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073449
Cc1nn(Cc2cc3n(n2)CCC3)c(C)c1[C@@H]1COCCN1C	ZINC22_1616043754	315.413	IYIDFXASTLZGQS-INIZCTEOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073450
Cc1nn(Cc2cc3n(n2)CCC3)c(C)c1[C@H]1COCCN1C	ZINC22_1616043755	315.413	IYIDFXASTLZGQS-MRXNPFEDSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073451
Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1n[nH]c2c1CCC2	ZINC22_82114484,MCULE-9421750653,PC-id_70741597,EMOLS-id_44436513	315.413	QFEJHIGHWFLYOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073452
CCc1c(cnn1C(C)(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318524947	315.413	DZDOCZFMIXROFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073453
CCc1c(cnn1C(C)(C)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319638237	315.413	QNAUSEGBIAMZEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073454
CCc1noc(n1)C1CCC(CC1)NC1CC(n2c1ncc2)C	MCULE-1926738514,EMOLS-id_101227531	315.413	UDVCHHIENAEASM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073455
CCc1oc2c(n1)C(CN2C)CC(c1nn2c(c1)N(CC2)C)C	PC-id_138744763,SCHEMBL21126214	315.413	RONSZUVKFFQBBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073456
CC(C(=O)NCc1n[nH]c2c1CCC2)Cc1c(C)nn(c1C)C	EMOLS-id_319971478,MCULE-1458884703	315.413	LWHYKODIDKSGNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073457
CC(n1nc(c2c1CN(C2)CC1COCC1)Cn1cccn1)C	PC-id_118743121	315.413	VTTPISTZIJVJKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073458
CC(OC1CC(C1n1cccn1)NC1CCn2c1ncc2)(C)C	EMOLS-id_318116758,MCULE-3161209259	315.413	NNAJTHWWCSOUGK-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-073459
Cn1nc2c(c1CN[C@@H]1C[C@@H](Cn3cccn3)C[C@H]1O)CCC2	ZINC22_2325785575	315.413	FAFRUVCXEAKWDQ-SRCQZFHVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073460
Cn1nc2c(c1CN[C@@H]1C[C@H](Cn3cccn3)C[C@H]1O)CCC2	ZINC22_2325785576	315.413	FAFRUVCXEAKWDQ-XGWLTEMNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073461
CN(CCOc1ccccc1CNC1CC(n2c1ncn2)C)C	EMOLS-id_320259287,MCULE-2705636542	315.413	CAGSQJADQPFBKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073462
COCc1cc(nc(n1)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_318475205,MCULE-3551980271	315.413	PNJCQSNAUZLDDG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073463
O=C(c1c(C)nn(c1C)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319158895	315.413	FINFBHAABZNZKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073464
O=C(Cc1c(C)nn(c1C)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318860415	315.413	FIVIESFZHUEEGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073465
O[C@H](c1nccn1C)C1CCN(CC1)Cc1[nH]nc2c1CCC2	CoCoCo_1469466,CoCoCo_1469462,CoCoCo_1469467,CoCoCo_1469463	315.413	VSMYJKMVJTXLHE-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073466
O[C@@H](c1nccn1C)C1CCN(CC1)Cc1[nH]nc2c1CCC2	CoCoCo_1469468,CoCoCo_1469464,CoCoCo_1469465,CoCoCo_1469469	315.413	VSMYJKMVJTXLHE-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073467
CCNC(=NCc1nnc2n1CCC2)N(Cc1cccn1C)C	PC-id_109808596	315.417	NITJGAWNGUZPJL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-073468
Cc1cccc(C)c1OCCNC(=O)c1cc2c(s1)CCC2	MCULE-1278433592,ZINC22_58366666,PC-id_51115836,EMOLS-id_33350132	315.43	QLAJJONUEAFLOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073469
CC(C(Cc1ccccc1)O)NC(=O)c1sc2c(c1)CCC2	PC-id_112378442	315.43	DECZEJLQMGDLOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073470
CC(NC(=O)c1sc2c(c1)CCC2)CC(c1ccccc1)O	PC-id_112300030	315.43	YIDYRHMSNKOVQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073471
CCOC(=O)c1c(NCc2ccc(cc2)C)sc2c1CCC2	PC-id_110826203	315.43	DADBBKUNZBYNCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073472
CCOC(=O)c1c(NCc2ccccc2C)sc2c1CCC2	PC-id_110827316	315.43	WCXXQFPIDNJFCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073473
CN(C(=O)c1cc2c(s1)CCC2)[C@H](CO)Cc1ccccc1	ZINC22_855137598	315.43	SSJYHAHKNLCYTI-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073475
CN(C(=O)c1cc2c(s1)CCC2)[C@@H](CO)Cc1ccccc1	ZINC22_855137599	315.43	SSJYHAHKNLCYTI-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073476
COc1cccc(c1)CC(NC(=O)c1sc2c(c1)CCC2)C	PC-id_86941741	315.43	QZLVBCXMMJCNLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073477
OCCC(c1ccccc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_112299913	315.43	QFGPTTHMUVRYAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073478
OCCCC(c1ccccc1)NC(=O)c1sc2c(c1)CCC2	PC-id_112342903	315.43	JEDFMZVAPQLRJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073479
OCCC(N(C(=O)c1sc2c(c1)CCC2)C)c1ccccc1	PC-id_112346082	315.43	FUGBEAFDQKJZAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073480
OCC(N(C(=O)c1sc2c(c1)CCC2)C)Cc1ccccc1	MCULE-2584875660,EMOLS-id_316921343	315.43	SSJYHAHKNLCYTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073481
s1c2CCCc2cc1C(=O)NC(c1c(OC)ccc(c1)C)C	PC-id_84966400	315.43	IXWRLCCUWXXBJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073482
s1c2CCCc2cc1C(=O)N(Cc1c(OC)ccc(c1)C)C	PC-id_9469761	315.43	QUOJOEUXGOEIGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073483
s1c2CCCc2cc1C(=O)NCCc1c(OC)ccc(c1)C	PC-id_8133948	315.43	KJIWASCYQGIXSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073484
s1c2CCCc2cc1C(=O)NCCOc1c(cc(cc1)C)C	PC-id_9503065	315.43	GOPIGYCWGBXJNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073485
s1c2CCCc2cc1C(=O)N[C@@H](c1c(OC)ccc(c1)C)C	PC-id_9262676	315.43	IXWRLCCUWXXBJL-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073486
s1c2CCCc2cc1C(=O)N[C@H](c1c(OC)ccc(c1)C)C	PC-id_9262677	315.43	IXWRLCCUWXXBJL-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073487
s1c2C(CN(c2cc1)C(=O)OC(C)(C)C)Cc1ccccc1	PC-id_10829150	315.43	IIHSZQFQXAKOOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073488
c1(C2CCCN2C(=O)c2cc3c(CCC3)s2)nc(cn1C)C	PC-id_110104432,EMOLS-id_237859,MCULE-7968443469,BDE-32070951	315.433	RLGSCNWZIHKZSG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073489
c1(cc2c(CCC2)s1)C(=O)N1CCCC(C1)c1[nH]ncc1C	BDE-32094530,PC-id_110106296,EMOLS-id_244293,MCULE-4964143395	315.433	VUJVZTJRXZNQJR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073490
c1(cc2c(CCC2)s1)C(=O)N1CCCC(Cc2ccn[nH]2)C1	MCULE-9278856077,PC-id_110106445,BDE-32096240,EMOLS-id_244799	315.433	ZQJGJUPOBAYJFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073491
c1ccc(cn1)C1OCCC(C1)NCc1sc2c(n1)CCC2	EMOLS-id_318214603,MCULE-1524799013	315.433	CWBSNOGTWYFSCV-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-073492
c1cc([C@H]2OCCC[C@@H]2NCc2nc3c(s2)CCC3)ccn1	PC-id_120431031,MCULE-5207951469,EMOLS-id_72955440,ZINC22_299741564	315.433	GJUIBVNHGZFPGH-WMLDXEAASA-N	00000010100010101001100010000000000000000000000000000000	25-01-073493
c1ccc(nc1)[C@@H]1OCC[C@H](C1)NCc1sc2c(n1)CCC2	EMOLS-id_320048439,MCULE-6635125084	315.433	OKDLWIXGWCIKEB-IUODEOHRSA-N	00000010100010101001100010000000000000000000000000000000	25-01-073494
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)SC	MCULE-3534641212,EMOLS-id_331021496	315.433	OAWMDSHJXZCLRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073495
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(SC)c1	MCULE-5061268110,EMOLS-id_331019195	315.433	NGGYJIUSNISEQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073496
c1(NC(=O)c2ccc(cc2)C)c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0027,ZINC22_189402,PC-id_5048301,EMOLS-id_5426051,CoCoCo_4972567,MCULE-7383026372	315.433	GAZAAQJWMDDMDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073497
c1(NC(=O)c2ccc(cc2)C(C)(C)C)n(C)nc2CSCc12	ZINC22_61721698,PC-id_52902557,EMOLS-id_35790513,STOCK7S-16397,MCULE-8054359420	315.433	HLNALKRYECBESM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073498
c1(NC(=O)c2cccc(C)c2)c2CSCc2nn1C(C)(C)C	CoCoCo_4972566,MCULE-1250619720,Chemmine_40081,PC-id_4119886,ZINC22_189400,EMOLS-id_5426049,ChEMBL-DNDi_CHEMBLF0396-0026	315.433	ZEDGJHNBHORRHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073499
c1(NC(=O)Cc2ccccc2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426061,ZINC22_189407,PC-id_4129793,CoCoCo_4972572,MCULE-7077588203	315.433	YDKUFDGAUHDASR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073500
Cc1cc(C2CCN(C(=O)c3cc4c(s3)CCC4)CC2)[nH]n1	PC-id_146087861,ZINC22_272210272,MCULE-4082687927,EMOLS-id_324051719	315.433	IXMFSSWSZGHESN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073501
Cc1cc(CC(=O)NCCc2nc3CCCc3s2)cc(C)n1	PC-id_139599613,MCULE-5550527180,ZINC22_1800410556,EMOLS-id_323925635	315.433	VFPLUTZHISZZDF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073502
Cc1cc(NCc2sc3c(n2)CCC3)ccc1C(=O)N(C)C	EMOLS-id_318070771,MCULE-3148057130	315.433	QPTRHHYUIJHCNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073503
Cc1cnccc1O[C@@H]1CCN(Cc2nc3c(s2)CCC3)C1	ZINC22_1889091757	315.433	UHIUVVFOMIIKSW-CYBMUJFWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073504
Cc1cnccc1O[C@H]1CCN(Cc2nc3c(s2)CCC3)C1	ZINC22_1889091758	315.433	UHIUVVFOMIIKSW-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073505
Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257298341	315.433	RLGSCNWZIHKZSG-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073506
Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257298342	315.433	RLGSCNWZIHKZSG-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073507
Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257267281	315.433	MGPYROVEYNNSTP-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073508
Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257267282	315.433	MGPYROVEYNNSTP-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073509
Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257327835	315.433	XCZCAXSKPYBWHM-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073510
Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257327836	315.433	XCZCAXSKPYBWHM-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073511
Cc1c[nH]c(n1)C1CCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_110104087,BDE-32068754	315.433	XCZCAXSKPYBWHM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073512
Cc1cnn(c1)C1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_36347876,PC-id_53564632,MCULE-6118732478	315.433	CSHKFRSQERZPRH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073513
Cc1cnn(c1)CC1CCCN1C(=O)c1sc2c(c1)CCC2	PC-id_56779350,EMOLS-id_36954873,MCULE-5016488138	315.433	XQBKSWYWCOJZRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073514
Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c1	PC-id_95604001,ZINC22_71866852	315.433	XQBKSWYWCOJZRZ-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073515
Cc1cnn(C[C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c1	PC-id_95604002,ZINC22_71866853	315.433	XQBKSWYWCOJZRZ-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073516
BrCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	EMOLS-id_315051321	316.257	TZRSWYNHSSNQMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073696
Cc1cnn([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)c1	ZINC22_71185786,PC-id_95383193	315.433	CSHKFRSQERZPRH-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073517
Cc1cnn([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)c1	ZINC22_71185787,PC-id_95383194	315.433	CSHKFRSQERZPRH-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073518
Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_257319872	315.433	VUJVZTJRXZNQJR-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073519
Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_257319873	315.433	VUJVZTJRXZNQJR-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073520
Cc1nc(ccc1NC1CCc2c1scc2)N1CCOCC1	MCULE-5120147558,EMOLS-id_318504069	315.433	AJSJPADKHIZUCL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-073521
Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_95325527,ZINC22_69771352	315.433	YKAXCQMAKRORST-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073522
Cc1nccn1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_95325528,ZINC22_69771353	315.433	YKAXCQMAKRORST-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073523
Cc1nc(n(c1)C)C1CCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_110104769,BDE-32072046	315.433	MGPYROVEYNNSTP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073524
Cc1n[nH]c(c1)C1CCCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_319924152,MCULE-4730338664	315.433	MKWOBESMJYHSCP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073525
CC(CNC(=O)c1cc2c(s1)CCN2Cc1cccnc1)C	PC-id_97442299	315.433	RALDTKIHTSRPEU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073526
n1ccc(cc1)C1OCCC(C1)NCc1sc2c(n1)CCC2	MCULE-6755367444,EMOLS-id_318029572	315.433	UCKIMIMVEZZPTH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-073527
N#Cc1c(NC(=O)C(N2CCC(=CC2)C)C)sc2c1CCC2	EMOLS-id_98085907	315.433	UGKKOGJPQVBCPN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-073528
O1CCN(CC1)c1ccc(cn1)CNC1CCc2c1scc2	MCULE-7796853590,EMOLS-id_318592069	315.433	QFLWEEYTNAPXNL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-073529
O1CCN(CC1)c1ncccc1CNC1CCc2c1scc2	EMOLS-id_318642117,MCULE-1209844844	315.433	JZFNQRTXQFNJTH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-073530
Oc1ccc(cc1)N1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318618638	315.433	UEMWRYIDEQNFPD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073531
Oc1ccccc1N1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318696197	315.433	UEVXZSCIBWEWGJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073532
O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1Cn1cccn1	PC-id_95353573,ZINC22_70038746	315.433	YIEGTDSZDNWHGE-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073533
O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1Cn1cccn1	ZINC22_70038744,PC-id_95353572	315.433	YIEGTDSZDNWHGE-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073534
O=C(c1cc2c(s1)CCC2)N1CCC[C@H](Cc2ccn[nH]2)C1	ZINC22_257342849	315.433	ZQJGJUPOBAYJFC-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073535
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](Cc2ccn[nH]2)C1	ZINC22_257342850	315.433	ZQJGJUPOBAYJFC-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073536
O=C(c1ccccc1C)Nc1c2CSCc2nn1C(C)(C)C	Chemmine_40079,ChEMBL-DNDi_CHEMBLF0396-0015,CoCoCo_4972556,PC-id_4415790	315.433	PSDRTRKGWIJTJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073537
O=C(c1ccc(c(c1)NCc1sc2c(n1)CCC2)C)N(C)C	MCULE-2155033525,EMOLS-id_318016591	315.433	VAEZKTAVNTXOPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073538
O=C(c1cc(n(c1C)CC1CC1)C)Nc1sc2c(n1)CCC2	EMOLS-id_318478620	315.433	JBSPMRHJUHNIDV-UHFFFAOYSA-N	00100010110000000001000010000000000000000000000000000000	25-01-073539
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)Cc1[nH]ccn1	EMOLS-id_318383758	315.433	XYEDNKVPVYOLRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073540
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)Cc1[nH]ncc1	EMOLS-id_319645000	315.433	WDZSELQVNQTHPE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073541
O=C(c1sc2c(c1)CCC2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_319607733	315.433	NHDJPBKXIZHTJQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073542
O=C(N1CCCCC1Cn1cccn1)c1sc2c(c1)CCC2	EMOLS-id_36686987,PC-id_53626469,MCULE-3022165909	315.433	YIEGTDSZDNWHGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073543
O=C(N1CCCC(C1)n1ccnc1C)c1sc2c(c1)CCC2	MCULE-9497695407,EMOLS-id_36688981,PC-id_53603284	315.433	YKAXCQMAKRORST-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073544
O=C(Nc1ccnn1C1CCCCC1)c1cc2c(s1)CCC2	EMOLS-id_2885232,ZINC22_6583362,PC-id_8002571,MCULE-2431884746,CoCoCo_3211659	315.433	HBLILYXMIGEBJC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073545
s1c2CCCc2nc1NC(=O)c1ccc(N(CC)CC)cc1	PC-id_3547072	315.433	PJKXPSUQEIDYMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073546
S(c1ccc(CC(=O)Nc2n(nc3c2CCC3)C)cc1)CC	PC-id_45536356	315.433	NQORBMKFWXXHGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073547
S(c1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1)C(C)C	PC-id_45536352	315.433	QKZZXJDWRFYYOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073548
S(C(C)C)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536350	315.433	ZIMHLMLNQGGCIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073549
S(CCCC(=O)Nc1n(nc2c1CCC2)C)c1ccccc1	PC-id_45536342	315.433	CVOMMCKBFGZKTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073550
S(CCC(=O)Nc1n(nc2c1CCC2)C)c1ccc(cc1)C	PC-id_45536329	315.433	KBXUIVJXJQCSMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073551
CCc1ncc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318682741	315.435	DUMONPNVWNGMCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073552
NCc1csc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053392	315.435	AWILPWPEQQGBKW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073553
NCc1scc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053318	315.435	FMHTUGKRSWSRGW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073554
NCc1sccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053347	315.435	QLUCXSLWRYAFNE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073555
s1c2CCCc2nc1NS(=O)(=O)c1sc(cc1)CN	PC-id_61511729	315.435	NXPJQSCVBXWEDU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073556
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1sccc1	PC-id_7640554	315.435	BKEXTFDRWMPALP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073557
c1ccc(nn1)N1CCCC(C1)NCc1sc2c(n1)CCC2	MCULE-1163256570,EMOLS-id_318279097	315.436	HIMWNPMODIHLFX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073558
c1ccc(nn1)N1CCC(CC1)NCc1sc2c(n1)CCC2	MCULE-6243026159,EMOLS-id_318101806	315.436	CASJQBJFTYPLEW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073559
c1ccc(nn1)NC1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318074588,MCULE-3398694417	315.436	CPOODJRPNGVBCF-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-073560
C1CCN(CC1)c1nccc(n1)NCc1sc2c(n1)CCC2	EMOLS-id_318503257,MCULE-8881155409	315.436	OQYHZEMEORHWSO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073561
C1CCN(CC1)c1ncnc(c1)NCc1sc2c(n1)CCC2	MCULE-9114840111,EMOLS-id_318758140	315.436	RJFDJTSDZAHTSC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073562
c1ncc(nc1)N1CCC(CC1)NCc1sc2c(n1)CCC2	MCULE-7048192594,EMOLS-id_318528435	315.436	DNXXRUCAHNQUEF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073563
Cc1cccc(C)c1NC(=S)N(C)Cc1nnc2n1CCC2	EMOLS-id_29661227,CoCoCo_4570528,ZINC22_11097818,MCULE-8661988782,PC-id_45803803	315.436	XPLSQCLGDVCVAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073564
NC(=NCCc1cn2c(n1)SCC2)Nc1ccc(c(c1)C)C	PC-id_120363272	315.436	WHRLVNBUIFVIMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073565
NC(=NCCc1nc2n(c1)CCS2)Nc1cc(C)cc(c1)C	PC-id_120363230	315.436	HWHNIXAYLSRBDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073566
S1CCN(CC1)c1nccc(c1)CNC1CCn2c1ncc2	EMOLS-id_318009593,MCULE-1512240227	315.436	SUNVVQQERZWMJN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-073567
c1(c2CCCc2[nH]n1)C(=O)N(C1CCCCC1)C1CCCCC1	EMOLS-id_334759462,MCULE-1198626675	315.453	RFLPUMWFAMWBPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073568
CC(C1CC(CN1C(=O)c1[nH]c2c(c1)CCC2)N1CCCC1)C	EMOLS-id_318899864	315.453	CDQGHNAZFAQGFK-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-073569
N#CC1(C)CC(c2c1c(C)n(c2C)CCN1CCOCC1)(C)C	PC-id_12894298,SCHEMBL11536108	315.453	JPKFSTYQQXCIIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073570
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1CCCC1	PC-id_92109732	315.453	WDOQNXHHLGWIPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073571
s1c2CCCc2cc1C(=O)Nc1ccc([NH+](CC)CC)cc1	PC-id_51533115	315.453	LHLPZARDTJLOAI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-073572
s1c2CCCc2cc1C(=O)NCc1ccc(C[NH+](C)C)cc1	PC-id_9537417	315.453	KYVRBIFSFBNCHX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-073573
s1c2CCCc2cc1C(=O)NCc1c(C[NH+](C)C)cccc1	PC-id_8140159	315.453	CAYUHDMZCVMNDB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-073574
s1c2c(CCC2)cc1C(=O)NC(C[NH+](C)C)c1ccccc1	PC-id_84876567	315.453	ZNJCGAYIEZCFLV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-073575
s1c2c(CCC2)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1	PC-id_8937033	315.453	ZNJCGAYIEZCFLV-HNNXBMFYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-073576
s1c2c(CCC2)cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1	PC-id_8937036	315.453	ZNJCGAYIEZCFLV-OAHLLOKOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-073577
CC1(C)SCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100856472	315.455	WROVSYCTAPTADY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-073578
CC(C1SCCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100238047	315.455	AANGSNAFSPMWJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073579
CCSC1CCCC1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231288	315.455	SEDMRHRIKKFJQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073580
CSC1CCCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226032	315.455	DYNCUMPRFWVOST-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-073581
CSCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100579273	315.455	QBDULBNIVREHIJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073582
CS(=O)(=O)NC1CCCN(Cc2nc3CCCc3s2)C1	EMOLS-id_337730762,MCULE-2565121925	315.455	LQFOCHKJJAXUQS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073583
CS(=O)(=O)N[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1	ZINC22_678814803	315.455	LQFOCHKJJAXUQS-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-073584
CS(=O)(=O)N[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1	ZINC22_678814804	315.455	LQFOCHKJJAXUQS-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073585
O=S(=O)(Nc1sc2c(n1)CCC2)CCCCNC1CC1	PC-id_106053389	315.455	KKQDKDGPYCLOCX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-073586
S(=O)(=O)(Nc1sc2CCCc2n1)CCC1NCCCC1	PC-id_61548853	315.455	MAVOTLQZSDGPBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073587
S(=O)(=O)(NCCc1nc2SCCn2c1)C1CCCCC1	PC-id_7640571	315.455	HVIZRRAFBUEEIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073588
s1c2c(CCC2)cc1CNCc1c([nH]nc1)c1sccc1	PC-id_61207038	315.456	AYHLGBNEEVIFGW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-073589
CCCCCCCCN1Cc2c(S1(=O)=O)c(sc2C)C	SCHEMBL18325058	315.494	BMMRYPUGWRNJFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073590
CCCNC(c1sc2c(c1)CCC2)CCCS(=O)(=O)C	PC-id_115820408	315.494	GFEQPJKBCKHXDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073591
CCNC(c1sc2c(c1)CCC2)CCCS(=O)(=O)CC	PC-id_104986232	315.494	SAAUZJXTLKDBIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073592
C[Si](c1ccc(cc1)CNCc1sc2c(c1)CCC2)(C)C	PC-id_103437637	315.548	GIXWUMPZNMOJEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073593
Clc1cc(Cl)c(nc1NN=C1CCn2c1ccc2)Cl	PC-id_71899689,EMOLS-id_44522128,MCULE-9770046765	315.586	YHZGBWVTQXVJKU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073594
Clc1cc(Cl)c(N/N=C/CCn3cccc23)nc1Cl	ZINC22_55350656,PC-id_75362252	315.586	YHZGBWVTQXVJKU-MFOYZWKCSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073595
ClC1=c2ccsc2=[Se](O1)Cc1ccccc1	PC-id_101064639	315.677	NQBDZJBPRKNDIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073596
c12CN(Cc1nn(CC(F)(F)F)c2Cl)Cc1ccccc1	MCULE-4711874773,EMOLS-id_324342882	315.721	JIRWFLOHIFQMJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073597
C=Cc1ccc(cc1)C(=O)c1c(Cl)cc2n1CCC2C(=O)O	SCHEMBL10813365,PC-id_20253908	315.751	LJYHNJRRAQTRTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073598
Clc1c(c2n(CCC2C(=O)c2ccc(cc2)C)c1C=O)C=O	PC-id_56934374	315.751	CHGCYDYGFRVSKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073599
Clc1ccc(c(c1)F)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316640307	315.751	GVHYCCUOCGLGDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073600
Cn1ncc2c1CN(S(=O)(=O)c1cc(F)cc(Cl)c1)C2	EMOLS-id_177305705,MCULE-9377551683,ZINC22_585115324	315.751	WQFMQKOLNAWQKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073601
Fc1ccc(cc1Cl)CS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316709875	315.751	ZPFKYKGBJUNYFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073602
Fc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)Cl	EMOLS-id_316646692	315.751	FEXHBFITRMHEDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073603
O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc2n1CCC2	MCULE-1622465738,ZINC22_97165056,PC-id_75524810,EMOLS-id_49355987	315.751	QELZARKPIJENIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073604
Clc1ccccc1n1ccn(c1=O)Cc1nnc2n1CCC2	EMOLS-id_320313880,MCULE-2001367668	315.758	PEVSZDUSQFOOCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073605
N#Cc1ccc(cc1Cl)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318712388	315.758	KUEHHUITGKYQEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073606
Clc1sc2CCC(Nc3ccc(OC(F)F)cc3)c2c1	PC-id_81252472	315.766	LQMDDFKPRXJXHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073607
Clc1sc2CCC(Nc3cc(OC(F)F)ccc3)c2c1	PC-id_81251603	315.766	AYUVKPPDIUTWJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073608
Clc1sc2CCC(Nc3c(OC(F)F)cccc3)c2c1	PC-id_81252569	315.766	WGHKEEFGZCOEJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073609
c1(CNC(=O)C=Cc2ccccc2Cl)c2CCCc2nn1C	MCULE-5475839627,PC-id_91819371	315.797	BJGDEOJKSDMODK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073610
Clc1ccc(cc1)C1(CC1)C(=O)NCc1cnc2n1CCC2	MCULE-2493784643,EMOLS-id_319918291	315.797	VHASMFZVLXVQCG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-073611
Clc1cccc(c1)C1(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319780966	315.797	KPSAAICXSZKKTD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-073612
Clc1cccc(c1)C1CC(C1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318311011	315.797	KAEZSVUROZHAFW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073613
Clc1cccc(c1)C1CC(C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318278658	315.797	YRBLKMUVQVQDLI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073614
Clc1cccc(c1)C1CC(C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318002324	315.797	GTPHUGWNTHEUNZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073615
Clc1ccc(cc1)C1(CCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98566063	315.797	LXSGDMQBEBYDOH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073616
Clc1cccc(c1)CC1(CC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318384857	315.797	TTZNRMXIZXQUNG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-073617
Clc1ccc(cc1)C(C1CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98009924	315.797	DVTSOANWGWCVBT-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-073618
Clc1ccc(cc1)CC1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318527976	315.797	SKIKXANFCAUKKM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-073619
Clc1ccc(cc1)[C@@H]1C[C@H](C1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318801489	315.797	GMRXPADVVNGJHI-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073620
Clc1ccc(cc1)[C@@H]1C[C@H](C1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318777683	315.797	YJFPHSSWNYVPDR-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073621
Clc1ccc(cc1)[C@@H]1C[C@H](C1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318940764	315.797	QZIKUKCCBYKJLE-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073622
Cn1nc2c(c1CNC(=O)/C=C/c1ccccc1Cl)CCC2	EMOLS-id_54868700,ZINC22_252522899	315.797	BJGDEOJKSDMODK-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073623
O=C(C1CC1c1cccc(c1)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_318452946	315.797	GINKXTPISZCRAN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-073624
O=C(C1CC1c1ccccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318828848	315.797	YTHYMNNKQDLQRR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-073625
O=C(c1cnc2n1CCC2)N[C@@H]1C[C@H](C1)c1ccccc1Cl	EMOLS-id_318829452	315.797	YBHWLJJDWSDWQD-HAQNSBGRSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073626
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H](C1)c1ccccc1Cl	EMOLS-id_318977025	315.797	COSMIPPNPJAUON-HAQNSBGRSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073627
O=C(c1nn2c(c1)CCC2)N[C@@H]1C[C@H](C1)c1ccccc1Cl	EMOLS-id_318908426	315.797	FINKNWPIMRAHJM-HAQNSBGRSA-N	00001010100000110001100010000000000000000000000000000000	25-01-073628
O=C([C@@H]1C[C@H]1c1ccccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319573160	315.797	YTHYMNNKQDLQRR-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-073629
Cc1sc2c(n1)CN(C2)S(=O)(=O)c1ncccc1Cl	EMOLS-id_319204022	315.799	XZSPNDVJNQVKJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073630
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)cncc1	PC-id_64276516	315.799	SRTQRANOINUNFF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073631
Clc1ncccc1S(=O)(=O)Nc1sc2CCCc2n1	PC-id_61511780	315.799	VQUDUGSKXOCWHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073632
Clc1nccc(S(=O)(=O)Nc2sc3CCCc3n2)c1	PC-id_61511816	315.799	MUQVIFJLCILFEH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073633
Clc1ncc(S(=O)(=O)Nc2sc3CCCc3n2)cc1	PC-id_60682826	315.799	ZFPAYLNQNSUXHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073634
c1(NC(=O)CCCCl)sc2c(CCC2)c1C(=O)OCC	PC-id_3608971,EMOLS-id_50025878,MCULE-9791792995	315.816	JSAPBOPPSMZRAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073635
ClCCCCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_43346874	315.816	QPRVTDCCISVMQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073636
ClCC(C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_62729394	315.816	SNLJKKQQDPVYPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073637
ClCC(C(=O)Nc1sc2c(CCC2)c1C(=O)OC)(C)C	PC-id_63680531	315.816	BPFSOPOOGRGHRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073638
Clc1sc2CCC(Nc3ccc(cc3)c3[nH]cnc3)c2c1	PC-id_81235059	315.82	NWIGXXHIUGDPAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073639
Clc1sc2CCC(Nc3ccc(cc3)c3[nH]ncc3)c2c1	PC-id_81235585	315.82	LRTIUCOBLVNESI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073640
Clc1sc2CCC(Nc3cc(ccc3)c3[nH]ncc3)c2c1	PC-id_81235594	315.82	JATOIALSYLJOEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073641
Clc1sc2CCC(Nc3ccc(n4nccc4)cc3)c2c1	PC-id_81234916	315.82	BVZSWEFMZRQVAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073642
Clc1sc2CCC(Nc3cc(n4ccnc4)ccc3)c2c1	PC-id_81234355	315.82	OJOXLLCLNQXOPY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073643
Clc1sc2CCC(Nc3cc(n4nccc4)ccc3)c2c1	PC-id_81235453	315.82	DSDPHDMEAWSVAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073644
Clc1sc2CCC(Nc3c(n4ccnc4)cccc3)c2c1	PC-id_81233573	315.82	AIBOABLLSRGAAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073645
Clc1sc2CCC(Nc3c(n4nccc4)cccc3)c2c1	PC-id_81234392	315.82	BZHCZHPIQRVHPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073646
c12CN(Cc1nn(CC1CCCC1)c2Cl)Cc1ccccc1	EMOLS-id_324345697,MCULE-5343795458	315.84	RPGNXQCVSUNLBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073647
Clc1cccc(c1)C1CCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318391296,MCULE-2612336907	315.84	JMSNNMAJMRIMTP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073648
Clc1ccc(cc1)C1CCC(C1)NCc1cnc2n1CCC2	MCULE-1161161419,EMOLS-id_318169090	315.84	YFYYQXJTSBOLKX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073649
Clc1ccc(cc1)CC1(CCC1)NCc1cnc2n1CCC2	EMOLS-id_318055344	315.84	XBRRTJMASZSKHH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-073650
Clc1cccc(c1)CC1(CNCc2cnc3n2CCC3)CC1	EMOLS-id_318393345	315.84	SKZFYHNQLREPPR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-073651
Clc1sc2c(C(NCCCOCC3OCCC3)CC2)c1	PC-id_81252162	315.859	RFGPDWXTGOKVFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073652
CC1C(Cl)CCCC1NC(=O)c1sc2c(c1)CSC2	PC-id_143582002	315.882	WLIWLQOJZVIAMF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-073653
CC1=NC2=C(S1)CS(=O)(=O)N2I	PC-id_163677841	315.884	JIGKCVDRQJPRQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073654
CSC1(CCCCC1)CNC1CCc2c1cc(s2)Cl	PC-id_105815958	315.925	FYTMKOQMIHWOOL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-073655
Brc1oc(Br)c2CS(=O)(=O)Cc12	PC-id_10805320	315.967	FWVQUGYIOQMJBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073656
[se]1c2CCCc2[se]c1=[SeH]	PC-id_11088350	316	HRYGNZDCAZYPGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073657
CCOC(=O)CSC1=C2COCC2=C(S1)C(=O)OCC	PC-id_148471952	316.044	MFDDBMPRWIBKRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073658
FC(F)(F)Cn1nc2CCCc2c1I	EMOLS-id_317869309,MCULE-6782886061	316.062	IZOQKFBIMRQNAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073659
C1CN(CCC1S(=O)(=O)N)C(=O)C2=NC3=C(S2)CNC3	PC-id_151491052	316.066	POLXTQULGZPVLZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073660
C1[C@@H](CN2C1=CN=C2)NC(=O)NCC3=NC(=NO3)C(F)(F)F	PC-id_164629762,ZINC22_896387747	316.09	UQOLNYQCOYLFKZ-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-073661
c12CN(Cc1nn(CCF)c2Br)CC(F)(F)F	MCULE-1761662873,EMOLS-id_324339052	316.093	CUEJDUOWOYSCEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073662
FC(F)Cn1nc2CSCc2c1I	EMOLS-id_324398169,MCULE-7673685919	316.11	SEHWVYRVSQGUFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073663
CC1=C2CCCC2=C(S1)C(=O)CCC3=CC(=C(C=C3)O)OC	PC-id_163939428	316.113	RPSGWGBJCODXAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073664
C1CC2=C(C1)SC(=N2)CN3CCC(C3)COC4=NC=CN=C4	EMOLS-id_337823481,PC-id_165434559,MCULE-8997111315	316.136	GVQMDEMOGRBXQQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073665
CC(C1=NC2=C(S1)CCC2)NCC3=CC(=O)NC(=N3)C4CC4	EMOLS-id_317261538,PC-id_154760406,MCULE-2950464608	316.136	VIBHJRGVDLVPLZ-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-073666
C1CCC(CC1)(C(F)(F)F)NC(=O)NC2CCN3C2=NC=C3	MCULE-2968449298,EMOLS-id_317750476,PC-id_154786218	316.151	DEINIFLKMZDHSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073667
CC1=C(C=CC(=C1)C2CN(CCO2)CC3CCC4=NC=NN34)F	PC-id_154769147,MCULE-8194153037,EMOLS-id_317353735	316.17	VHCDXQCGCWYLPY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073668
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)C1CC1	EMOLS-id_258101667,MCULE-9655970437	316.171	DIUUUDRQUGEZAM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-073669
c12C(C)CCc1n(nc2I)CC1CCC1	MCULE-5548996780,EMOLS-id_330982643	316.181	QXMWYGZPDOFKSU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-073670
c12CN(Cc1nn(CC(C)C)c2Br)C(=O)OCC	MCULE-9578730310,EMOLS-id_324337773	316.194	RLTKJDHJMKFSMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073673
CC1CCc2c1c(nn2Cc1ccc(Br)cc1)C#N	EMOLS-id_331022069,MCULE-5970701708	316.196	STVSBQMCXRMQDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073674
CC1CCc2c1c(nn2Cc1cccc(Br)c1)C#N	MCULE-3719596348,EMOLS-id_331019254	316.196	OJPZSURMWHFCAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073675
CC1CCc2c1c(nn2Cc1ccccc1Br)C#N	MCULE-3063813097,EMOLS-id_331021046	316.196	ODXQMOIYIJLVKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073676
CC1CCc2nn(Cc3ccc(Br)cc3)c(C#N)c12	MCULE-7370915513,EMOLS-id_331002800	316.196	NHFCLBMUQNGDAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073677
CC1CCc2nn(Cc3cccc(Br)c3)c(C#N)c12	EMOLS-id_331004080,MCULE-2964666269	316.196	CUOZSIWSEFDFGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073678
CC1CCc2nn(Cc3ccccc3Br)c(C#N)c12	MCULE-1361617697,EMOLS-id_331005872	316.196	WMEWWNNSJDYNLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073679
Cn1c(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1Cl	EMOLS-id_33347153,PC-id_36198197,ZINC22_29023936,MCULE-1810106158	316.206	RKQONESGNAQXFX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-073680
Cn1c(NC(=O)c2c(Cl)sc(Cl)c2)c2c(CCC2)n1	EMOLS-id_22760389,PC-id_27376637,ZINC22_16848310,CoCoCo_5273010,MCULE-1554524510	316.206	VVRQTXQJFPWIEE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073681
CCCCCCN1C(=O)c2c(C1=O)sc(c2)Br	SCHEMBL15720674,PC-id_90159506	316.214	RYFLAXRVQTVMDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073682
Clc1sc2c(C(NCc3cc(Cl)c(F)cc3)CC2)c1	PC-id_81252191	316.221	NXPYZYOUPZYOAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073683
CC(c1[nH]nc(n1)C(F)(F)F)NC(=O)c1nn2c(c1)OCC2	MCULE-5888404468,PC-id_146077282,EMOLS-id_319367102	316.239	KRRWPHTYBOOIPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073684
C[C@@H](NC(=O)c1cc2n(n1)CCO2)c1nc(C(F)(F)F)n[nH]1	ZINC22_1364309255	316.239	KRRWPHTYBOOIPY-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073685
C[C@H](NC(=O)c1cc2n(n1)CCO2)c1nc(C(F)(F)F)n[nH]1	ZINC22_1364309257	316.239	KRRWPHTYBOOIPY-YFKPBYRVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073686
O=C(NC1Cn2c(C1)cnc2)NCc1onc(n1)C(F)(F)F	MCULE-4905989072,EMOLS-id_316297088	316.239	UQOLNYQCOYLFKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073687
O=C(NCc1nc(C(F)(F)F)no1)N[C@@H]1Cc2cncn2C1	ZINC22_896387748	316.239	UQOLNYQCOYLFKZ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073688
BrCCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_107321634	316.257	PSOXCMQVWIMHIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073689
BrCC(C(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_114316092,EMOLS-id_314871040	316.257	MLLYZIGPTYTNJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073690
BrC(C(C)C)CNC(=O)c1sc2c(c1)CCC2	PC-id_116245860	316.257	LBEYMVTYEWDOMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073691
BrCCCCC(=O)NCc1sc2c(c1)CCC2	PC-id_107909733	316.257	UOALINQTNBUKNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073692
BrC(C(C)C)C(=O)NCc1sc2c(CCC2)c1	EMOLS-id_38138743,PC-id_61208182	316.257	COFNXJBFGVQFKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073693
BrCCCC(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_314374939,PC-id_114316435	316.257	QNUGOJYUGRFYST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073694
BrCCCN(C(=O)c1sc2c(c1)CCC2)CC	PC-id_116059408,EMOLS-id_315946435	316.257	LGYUTXUTWJAMQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073697
BrCC(C(NC(=O)c1sc2c(c1)CCC2)C)C	PC-id_116187127	316.257	UPBSHGNICLGBQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073698
BrCCC(NC(=O)c1sc2c(c1)CCC2)CC	PC-id_116270013,EMOLS-id_314838368	316.257	AHHCZPPTNRNSIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073699
BrCCC(NC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_116345582,EMOLS-id_314886519	316.257	LBWKYNDITCDTEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073700
BrCCN(C(C)C)C(=O)c1sc2c(CCC2)c1	PC-id_80665887,EMOLS-id_315546687	316.257	BHRGDBCMDMGXPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073701
BrCC(N(C(=O)c1sc2c(c1)CCC2)C)(C)C	EMOLS-id_315945693,PC-id_116122512	316.257	QBYUHRPUKVVAJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073702
BrCCN(C(=O)c1sc2c(CCC2)c1)CCC	EMOLS-id_315545655,PC-id_80665037	316.257	YDJZXYZQJLQXMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073703
CCC(CCNC(=O)c1sc2c(c1)CCC2)Br	EMOLS-id_314350595,PC-id_116283617	316.257	OTVDYLIINCBIAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073704
CCCC(CNC(=O)c1sc2c(c1)CCC2)Br	EMOLS-id_314542952,PC-id_116270797	316.257	PLBHDQACSBRFCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073705
CC(CCCNC(=O)c1sc2c(c1)CCC2)Br	PC-id_106131024	316.257	YXKYLVMRQUSTEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073706
CC(CCN(C(=O)c1sc2c(c1)CCC2)C)Br	EMOLS-id_315950106,PC-id_116298122	316.257	BCDQYTNMNBEWED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073707
CC(CC(NC(=O)c1sc2c(c1)CCC2)C)Br	PC-id_104111064	316.257	AZUTVZXDIRPFFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073708
CCC(NC(=O)c1sc2c(c1)CCC2)(CBr)C	EMOLS-id_315655260,PC-id_114314356	316.257	CLPLDSBGGFZTQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073709
O=C(c1sc2c(c1)CCC2)NC(C(Br)C)(C)C	PC-id_116360250,EMOLS-id_259839365	316.257	IBOGFFSZHRVSHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073710
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1C)N(=O)=O	PC-id_135654179,MCULE-2644525213,STOCK6S-48087,EMOLS-id_17101969	316.272	LSEMNRXGTVGFLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073711
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(c(c1)N(=O)=O)C	MCULE-6730688901,STOCK6S-44871,EMOLS-id_17097349,PC-id_135654036	316.272	BEMKZCMIPFTOCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073712
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(c1)N(=O)=O)C	PC-id_135629423,STOCK6S-66544,MCULE-6961582517,EMOLS-id_24574841	316.272	KVJQQIXJFZELSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073713
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)N(=O)=O)C	PC-id_135654038,MCULE-4532364691,STOCK6S-47532,EMOLS-id_17101207	316.272	XSKSCZRVSOFUGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073714
c12ncnn1C(C(=O)N2)CC(=O)Nc1c(C)ccc(c1)N(=O)=O	SPECS-id_AN-153/NB21573,STOCK6S-74168,EMOLS-id_24584411,MCULE-4272206904,PC-id_135649895	316.272	OZEWNVJOBXCJGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073715
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1[N+](=O)[O-]	PC-id_135924883,ZINC22_13687043	316.272	BEMKZCMIPFTOCK-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073716
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1[N+](=O)[O-]	PC-id_135924884,ZINC22_13687049	316.272	BEMKZCMIPFTOCK-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-073717
COc1ccc(cc1NC(=NCc1nnc2n1CCC2)N)OC	PC-id_119117955	316.358	OFYKTFGXVKQKDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073949
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_135950598,ZINC22_20745069	316.272	OZEWNVJOBXCJGQ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073718
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_20745070,PC-id_135950599	316.272	OZEWNVJOBXCJGQ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-073719
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	ZINC22_13691819,PC-id_135925038	316.272	LSEMNRXGTVGFLV-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073720
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_13691820,PC-id_135925039	316.272	LSEMNRXGTVGFLV-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-073721
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2	PC-id_135901721,ZINC22_20716325	316.272	KVJQQIXJFZELSJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-073722
Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2	ZINC22_20716318,PC-id_135901720	316.272	KVJQQIXJFZELSJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073723
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2	ZINC22_13691320,PC-id_135925003	316.272	XSKSCZRVSOFUGN-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073724
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2	ZINC22_13691321,PC-id_135925004	316.272	XSKSCZRVSOFUGN-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-073725
c12CN(Cc1nn(CC(F)(F)F)c2C#N)C(=O)OC(C)(C)C	EMOLS-id_324355690,MCULE-5879892815	316.279	CYXJPZJUBGWGDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073726
O=C(c1occ2c1CCC2)NCc1scc(n1)C(F)(F)F	EMOLS-id_318391032	316.299	PFUCKZYPRLUBQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073727
O=C(c1ccc(s1)C(F)(F)F)NCc1nnc2n1CCC2	EMOLS-id_318611363	316.302	GOOJTWSKFYKXOY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073728
O=C(c1ccn(n1)CC(F)(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_318732280	316.302	KNFDHURCHJAKRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073729
O=C(c1cnc2n1CCC2)Nc1scc(n1)CC(F)(F)F	EMOLS-id_318547881	316.302	FKWNONORKURUGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073730
O=C(c1cnc2n1CCC2)NCc1scc(n1)C(F)(F)F	EMOLS-id_318643360	316.302	ZKFIIXZEQQHJJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073731
O=C(c1cnn2c1CCC2)Nc1scc(n1)CC(F)(F)F	EMOLS-id_318567548	316.302	JVKPVBNLUKJBMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073732
O=C(c1cnn2c1CCC2)NCc1scc(n1)C(F)(F)F	EMOLS-id_318519770	316.302	IJCDRAFHTCGYQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073733
O=C(c1csc(n1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318944988	316.302	WJCFUNBGABYDAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073734
O=C(C1NCc2c1c[nH]n2)NCc1csc(c1)C(F)(F)F	EMOLS-id_320331300,MCULE-7638681768	316.302	VBBRCFVVIBWQNP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073735
O=C(c1ncn(c1)CC(F)(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_319127930	316.302	LZMNKJQCGKYSKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073736
O=C(c1ncsc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318882937	316.302	FLXGPEGMBZYWJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073737
O=C(c1ncsc1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319628230	316.302	KCWYZKFMYBLQRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073738
O=C(c1nn2c(c1)CCC2)Nc1scc(n1)CC(F)(F)F	EMOLS-id_318679211	316.302	REFGTJBWQRQMMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073739
O=C(c1nn2c(c1)CCC2)NCc1scc(n1)C(F)(F)F	EMOLS-id_318466562	316.302	ZAEXDXDKLVZLRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073740
O=C(c1n[nH]c(c1C(F)(F)F)C)Nc1sc2c(n1)CCC2	MCULE-2341569546,EMOLS-id_320241946	316.302	GEROQJUENUQAIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073741
O=C(c1scc(c1)C(F)(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_318881015	316.302	JQFGOAPKUKHRSY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073742
O=C(c1scnc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319056840	316.302	QLZGIINRJOCRJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073743
O=C(Cn1ccc(n1)C(F)(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_318744539	316.302	AXKSBKOXLJOLGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073744
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1csnc1	EMOLS-id_318376658	316.302	JOJBVQHCWLBMLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073745
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1nccs1	EMOLS-id_318492686	316.302	IIJTZMSSUQVFRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073746
O=C(NC1CCn2c1cnc2)Cc1scc(n1)C(F)(F)F	EMOLS-id_319600789	316.302	RINYYZMDSUNCFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073747
O=C(NC1CCn2c1ncc2)Cc1scc(n1)C(F)(F)F	EMOLS-id_319349022	316.302	XBZQTIWABGWLGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073748
N/N=C(/c1nc2c(n1C(F)F)CN(C2)C(=O)OC(C)(C)C)N	PC-id_144979181	316.307	DBBBKRDSIVBAMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073749
COC(=O)C1(CCn2c1ccc2C(=O)c1[nH]ccc1)C(=O)OC	PC-id_70504457,SCHEMBL11056684	316.309	YPEJRJGATSBKAZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-073750
CC1CC(c2n1ncn2)NC(=O)c1ccc(cc1)OCC(=O)O	MCULE-9067317493,EMOLS-id_276237577	316.312	UWKYFWLBBYPAPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073751
Cc1ccc(c(c1)OCCC(=O)N1CCn2c1ncc2)[N+](=O)[O-]	EMOLS-id_258164410,MCULE-9285659165	316.312	KVBUHGDVISONSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073752
C[C@@H]1C[C@@H](NC(=O)c2ccc(OCC(=O)O)cc2)c2ncnn12	ZINC22_663126453	316.312	UWKYFWLBBYPAPV-BXKDBHETSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073753
C[C@H]1C[C@H](NC(=O)c2ccc(OCC(=O)O)cc2)c2ncnn12	ZINC22_663126455	316.312	UWKYFWLBBYPAPV-CABZTGNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073754
C[C@H]1C[C@@H](NC(=O)c2ccc(OCC(=O)O)cc2)c2ncnn12	ZINC22_663126457	316.312	UWKYFWLBBYPAPV-JOYOIKCWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073755
C[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)O)cc2)c2ncnn12	ZINC22_663126459	316.312	UWKYFWLBBYPAPV-SKDRFNHKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073756
Cn1nc2c(c1NC(=O)COc1cccc([N+](=O)[O-])c1)CCC2	MCULE-3052054975,PC-id_47777124,ZINC22_65542351,EMOLS-id_35736881	316.312	VLIHHHOLNPCQCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073757
COc1ccccc1C(=O)NCc1nnc2n1C(CC2)C(=O)O	PC-id_134789569	316.312	FPXSCMIQAWPEFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073758
COC(=O)c1ccc(NC(=O)N2CCn3ccnc23)c(OC)c1	EMOLS-id_177322976,MCULE-3796197950,ZINC22_585137960	316.312	DRKRWPRIHOTOIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073759
OC(=O)C1Cc2nnc(CNC(=O)OCc3ccccc3)n2C1	PC-id_139022569,MCULE-7818940083,EMOLS-id_317680823	316.312	BJHYAADNXBNJCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073760
O=C(O)c1cn([C@H]2CCN(C(=O)c3occ4c3CCC4)C2)nn1	ZINC22_2325805325	316.312	AUYWSYKAHFTELP-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-073761
O=C(O)c1cn([C@@H]2CCN(C(=O)c3occ4c3CCC4)C2)nn1	ZINC22_2325805326	316.312	AUYWSYKAHFTELP-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073762
OC(=O)C(C(c1ccncc1)O)NC(=O)c1cnc2n1CCC2	EMOLS-id_319070996	316.312	PSROJDSRGIDMID-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073763
OC(=O)C(C(c1ccncc1)O)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319240505	316.312	KRYLLEDHLZRGMM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073764
OC(c1ccc(c(c1)C(F)(F)F)F)c1sc2c(c1)CCC2	PC-id_107292215	316.314	RABSHPLVJVUAQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073765
OC(c1sc2c(c1)CCC2)c1ccc(c(c1)F)C(F)(F)F	PC-id_107292106	316.314	UGOWUPBWAXPBCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073766
Cc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-]	EMOLS-id_36633496,ZINC22_43148040,MCULE-7964434848,PC-id_52185567	316.315	YJWCXGRSSFNHNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073767
Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nnc2n1CCC2	MCULE-7272252522,EMOLS-id_36633500,ZINC22_43149502,PC-id_52185750	316.315	JFPUFOZDVRKGGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073768
Cc1c(NC(=O)NCc2nnc3n2CCC3)cccc1[N+](=O)[O-]	PC-id_52189846,EMOLS-id_36633618,ZINC22_43347419,MCULE-8565365069	316.315	XKMKPAGPCLAVIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073769
CN(Cc1nnc2n1CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1	EMOLS-id_48209654,PC-id_36249236,MCULE-1424755929,ZINC22_29077283	316.315	NZNJKRXJLCQSTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073770
COC(=O)c1c(NC(=O)N2CCn3c2ncc3)nc2n1CCC2	EMOLS-id_319499059	316.315	WLPDBUDJDWIYGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073771
O=C1CC(CN1c1cnn(c1)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_319462028	316.315	GYALGXRAXPHHMX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073772
s1c2CCCc2nc1C(N)c1c(cc(F)cc1)C(F)(F)F	PC-id_81654865	316.317	MBMPUUMOTYBQBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073773
s1c2CCCc2nc1C(N)c1cc(c(F)cc1)C(F)(F)F	PC-id_81829826	316.317	PXYFMOKIZVQEPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073774
O=C(c1occ2c1CCC2)N1CCCC(C1)NCC(F)(F)F	EMOLS-id_318883802	316.319	UXMHDHZOOQXVOD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-073775
c12CN(Cc1nn(CC1CC1)c2C(=O)NCC)CC(F)(F)F	EMOLS-id_324357472,MCULE-3593855381	316.322	GLEIPMRHUWRFAR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-073776
c12CN(Cc1nn(CCC)c2C(=O)NC1CC1)CC(F)(F)F	EMOLS-id_324356452,MCULE-4680100742	316.322	VLPBVIHDSRPELA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-073777
CC1CN(CCN1CC(F)(F)F)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110494410	316.322	WGZJUDPMHVVTDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073778
CC(C(F)(F)F)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111676830	316.322	IQZPDJXUPNFPHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073779
CN1CC(C(C1)C(F)(F)F)C(=O)NCc1cnc2n1CCC2	MCULE-5144623623,EMOLS-id_320059245	316.322	AUVZVIWNAYNVDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073780
NCC1CN(CCC1C(F)(F)F)C(=O)c1cn2c(n1)CCC2	EMOLS-id_316613211	316.322	KVZWGYHNWXJELA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073781
O=C1C(CCCN1CC(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318011285,MCULE-6771686233	316.322	RBAPRQQQPQHTGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073782
O=C(c1cn2c(n1)CCC2)N1CCCC(C1)NCC(F)(F)F	EMOLS-id_319789907	316.322	URNROEPNUHYLHP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073783
O=C(c1cnc2n1CCC2)N1CCCC(C1)NCC(F)(F)F	MCULE-9272247376,EMOLS-id_319843758	316.322	MAMNXXRESIYSRK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073784
O=C(c1n(C)nc2c1CCC2)NC1CC(C1)NCC(F)(F)F	EMOLS-id_319455069	316.322	HNZUAZBKORTYLA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-073785
O=C(c1nn2c(c1)CCC2)NC1CCN(CC1)CC(F)(F)F	EMOLS-id_101190862	316.322	QUJHJTWRTNYVQA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073786
O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_316632127	316.322	AWWCGLJGCBUFFY-WIFZPCQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073787
O=C(N1CCC(CC1)C(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101417094	316.322	WARNJPYAFGOSIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073788
CCOC(=O)c1c(Nc2ccc(cc2F)C)[nH]c2c1CCC2=O	PC-id_145524191	316.327	COJCXMLYRWFDHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073789
CN(C(=O)c1cc(ccc1F)NC(=O)c1occ2c1CCC2)C	EMOLS-id_318598424	316.327	KWIJXFMYELLNTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073790
CN(C(=O)c1ccc(c(c1)F)NC(=O)c1occ2c1CCC2)C	EMOLS-id_318646775	316.327	XXGHSSPXXUGDHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073791
Fc1ccc(c(c1)C(=O)N(C)C)NC(=O)c1occ2c1CCC2	EMOLS-id_318506467	316.327	MCJVZMMJJQTCCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073792
C1CN(CCN1c1ccccc1F)C(=O)c1nn2CCOc2c1	PC-id_91959858	316.33	CDLPQXOOZXPBKL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073793
CC(=O)Nc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_320225568,MCULE-4850741870	316.33	FEMHFZCJFJICSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073794
CC(=O)Nc1ccc(cc1F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319032736	316.33	IJIHWXDHSPIMBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073795
CC(=O)Nc1cc(ccc1F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319366183	316.33	HNBKDAAVYKGTLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073796
CC(=O)Nc1ccc(cc1F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319144658	316.33	JMUUDXPBAPGVOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073797
CC(=O)Nc1cc(ccc1F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319683126	316.33	ZAKNOVWKINPOLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073798
Cn1nc2c(c1NC(=O)CNC(=O)c1cccc(F)c1)CCC2	ZINC22_264668153	316.33	PZEFXTCMVQJQDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073799
FC1(CCC1)C(=O)N1Cc2[nH]nc(COc3cccnc3)c2C1	EMOLS-id_313728209,ZINC22_1565546578	316.33	ABSZSHRJWQSRST-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-073800
Fc1cccc(c1)C1OCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319077053	316.33	NOAYLTBPXHYDPS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073801
Fc1ccc(cc1)C1OCCN(C1)C(=O)C1NCc2c1c[nH]n2	MCULE-2415423971,EMOLS-id_320146810	316.33	MUYJAMDHDWNAFG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073802
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C	PC-id_68439764,SCHEMBL2915893	316.33	FNINVTROFYHJPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073803
Fc1cc(cc(c1)N1CCOCC1)C(=O)N1CCn2c1ncc2	EMOLS-id_278170102	316.33	KBRQDAFAHJLSAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-073804
Fc1cccc(c1)OC1CCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318833611	316.33	VJBXKEVDJJXXJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073805
Fc1ccc(c(c1)OCC1CC1)NC(=O)N1CCn2c1ncc2	EMOLS-id_318666474	316.33	SBGSIJZWGJMBKM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-073806
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)CCC(=O)N)cc1	PC-id_56745262	316.33	GMHPACYPZOYUDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073807
Fc1ncnc(c1)N1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_316554070	316.33	BPRJAWRXKRIPLS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073808
O=C1OCCN1c1cc(NCc2cnc3n2CCC3)ccc1F	MCULE-5012219572,EMOLS-id_318473596	316.33	MVFITWIUNAMXSM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-073809
O=C(c1ncc(cc1F)OCC1CC1)NC1CCn2c1cnc2	EMOLS-id_320059260,MCULE-6140020438	316.33	JXACEKGNDJADQB-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-073810
O=C(N1CCn2c1ncc2)Nc1ccc(c(c1)F)OC1CCC1	EMOLS-id_318178760	316.33	MNSDGIHHJATFQN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-073811
S1(=O)(=O)C(c2n(nc(c2C(=O)OC)C(=O)OC)C1C)(C)C	PC-id_16723608	316.33	LRJBAMYWUIMLTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073812
c12C(=O)OC(=O)c1n[nH+]n2Cc1ccc(c(C(C)(C)C)c1)OC	SPECS-id_AT-225/NB64540,PC-id_6412817,MCULE-2983476461	316.332	KQOVZEBIXFGIRB-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-073813
c1(O)c(O)cc(cc1O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4891707328,PC-id_139593814,EMOLS-id_327808250	316.332	WZXZAQCXHPVIED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073814
COC(=O)CC(N1C(=O)c2c(C1=O)csc2)c1ccncc1	PC-id_68469237,SCHEMBL2992622	316.332	CBZMCYIFOAKPDJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-073815
s1c2CCCc2cc1C(=O)OCc1oc(nn1)c1occc1	PC-id_7623587	316.332	OOHYHQAQKKFUNG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-073816
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC#N	PC-id_42981782	316.332	OCMRVJDYNDJKGU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073817
s1c2CCCc2c(c1NC(=O)COC(=O)c1occc1)C#N	PC-id_16540509	316.332	GFXQXFLHQSIRJB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-073818
Fc1cnc(nc1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111112719	316.333	PLGGRGMCULWXRW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073819
Fc1ncnc(c1)N1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_258092631,MCULE-5441002372	316.333	ZHUPUCKTVLJNBF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-073820
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)c1ncccc1F	EMOLS-id_319760286	316.333	KJPWPCQMOPHKLF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-073821
OC(=O)CC1OCCN(C1)S(=O)(=O)n1nc2c(c1)CNC2	PC-id_141764688	316.334	RBPZNVHQIWMNER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073822
CCCc1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324841710	316.335	XBKFTEYHBBPGFA-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073823
CCCc1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324846819	316.335	KVFGCTIPIOQLGR-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073824
CCCc1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324847846	316.335	NGTNMSVTEWBKRM-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073825
CC(C)c1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324847847	316.335	CFBHDJFXONZILI-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073826
CC(C)c1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324848876	316.335	PQTCRRCVGNWQNH-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073827
CC(C)c1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324849888	316.335	MZMQGTUUFWVHBT-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073828
CCOC(=O)c1ccc(N/C=c/2sc3ncnn3c2=O)cc1	ZINC22_256027784,PC-id_117588135,EMOLS-id_190366717	316.335	BQRTTWUODQOUEC-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073829
Cn1ncc2c1CN(C(=O)c1cc3sc(C(=O)O)cc3[nH]1)C2	ZINC22_1875340720	316.335	ONLHTOHYEWVDSL-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-073830
n12c(=O)c(=Cc3cccc(c3)N(=O)=O)sc1nc(C(C)C)n2	MCULE-3301594094	316.335	PQTCRRCVGNWQNH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073831
n12c(=O)c(=Cc3ccccc3N(=O)=O)sc1nc(C(C)C)n2	MCULE-4532646619	316.335	MZMQGTUUFWVHBT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073832
n12c(=O)c(=Cc3ccc(cc3)N(=O)=O)sc1nc(C(C)C)n2	MCULE-4971556936	316.335	CFBHDJFXONZILI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073833
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCC	MCULE-4173256512	316.335	KVFGCTIPIOQLGR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073834
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCC	MCULE-5146648936	316.335	NGTNMSVTEWBKRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073835
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCC	MCULE-8847407985	316.335	XBKFTEYHBBPGFA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073836
n12ncnc1sc(=CNc1ccc(cc1)C(=O)OCC)c2=O	MCULE-9569139528	316.335	BQRTTWUODQOUEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-073837
N#Cc1ncn(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1	PC-id_25961466,EMOLS-id_24483107,ZINC22_14143257,MCULE-7464963241,CoCoCo_4546912	316.338	TUXOJPVNWSWKGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073838
s1c2c(CCC2)c(c1NC(=O)Cn1c(nnc1)C#N)C(=O)N	PC-id_51317357	316.338	SXNLPOTZFXXNOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073839
CC1CC(c2n1ccn2)NCc1cnc(s1)CC(F)(F)F	MCULE-8589092215,EMOLS-id_318377393	316.345	LEZFGCOXJWYQQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073840
CC1CC(c2n1ccn2)NCCc1scc(n1)C(F)(F)F	EMOLS-id_318363958,MCULE-2125078059	316.345	MYCMRQHLZNLOAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073841
Cc1cc(nn1CC(F)(F)F)NCc1sc2c(n1)CCC2	MCULE-5763770455,EMOLS-id_318041489	316.345	AIHQYQMCZXCJGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073842
Cc1csc(n1)C(C(F)(F)F)NCc1nn2c(c1)CCC2	EMOLS-id_318188641,MCULE-4115431005	316.345	CMLOSDUKPPPHNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073843
CC(c1nnc2n1CCC2)NCc1ccc(s1)C(F)(F)F	MCULE-9294561050,EMOLS-id_318242807	316.345	VLXZUIALQGCSAV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073844
CC(c1nnc2n1CCC2)NCc1ccsc1C(F)(F)F	EMOLS-id_318231003,MCULE-8023494379	316.345	XTQOSDDHADRDLX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073845
CC(c1nnc2n1CCC2)NCc1cscc1C(F)(F)F	EMOLS-id_318212631,MCULE-1251076106	316.345	OUNLUFDWIGVJIS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073846
CC(c1scc(n1)C(F)(F)F)NC1CC(n2c1ncc2)C	MCULE-5457392080,EMOLS-id_318011031	316.345	MMDHDGNZMIFFHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073847
CC(c1scc(n1)C(F)(F)F)NCc1cnc2n1CCC2	MCULE-8732950544,EMOLS-id_318174566	316.345	HCNVZRHSARSFAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073848
CCC(c1scc(n1)C(F)(F)F)NC1CCn2c1ncc2	MCULE-9599171886,EMOLS-id_318234521	316.345	JCUUBDPUTNPBGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073849
Cn1ncc(c1)C(C(F)(F)F)NCc1sc2c(n1)CCC2	MCULE-6480640312,EMOLS-id_318073426	316.345	PKLUWQCZATXHBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073850
FC(F)(F)c1sccc1CNCCc1nnc2n1CCC2	PC-id_136554631,MCULE-7054125821,ZINC22_527635627,EMOLS-id_313146436	316.345	NDACUIXAWQNPEK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-073851
FC(F)(F)Cn1ccc(CSCc2n[nH]c3c2CCC3)n1	ZINC22_1875304824	316.345	WEAUYONENISZPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073852
Fc1cc(ccc1F)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318386111	316.347	DSBPAORATLQUEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073853
Fc1cccc(c1F)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318496776	316.347	QRISONDXKMJWFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073854
Fc1ccc(c(c1)F)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318713745	316.347	WGZIJHFJOOFWRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073855
Fc1cccc(c1S(=O)(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318414784	316.347	REYATGJLGVTXBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073856
Fc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318517584	316.347	KYWRPFREZCLWOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073857
Fc1cc(F)cc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318494810	316.347	LQQHSDLMEASJCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073858
c1c(c(C(=O)Nc2sc3CCCc3c2C#N)ccc1F)OC	MCULE-9444100102,EMOLS-id_327911045	316.35	WERWKPWPLGEUDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073859
c1(F)c(ccc(C(=O)Nc2sc3CCCc3c2C#N)c1)OC	EMOLS-id_327931734,MCULE-6528248743	316.35	BGDVMEIBJZKHFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073860
c1(NC(=O)COc2ccc(cc2)F)sc2c(CCC2)c1C#N	EMOLS-id_328089991,MCULE-7182419540,PC-id_686661	316.35	DSHBAVLHVGLALA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073861
Fc1ccccc1OCC(=O)Nc1sc2CCCc2c1C#N	MCULE-6022567569,EMOLS-id_328083082,PC-id_8283388	316.35	KPWLZMZHPJYUGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073862
Fc1cccc(OCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-5437618247,EMOLS-id_328073869	316.35	FBNSMTZNZNWTHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073863
s1c2c(CC=C2)c(c1NC(=O)c1c(F)cccc1)C(=O)NC	PC-id_22216267	316.35	AETUYDQFJWBVTI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-073864
S1C(C(=O)c2c1sc(c2OC)C(=O)OC)(C)C(=O)OC	PC-id_23657182	316.35	YTQOQCYEXXCUPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073865
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2OC)OC)n1	EMOLS-id_330982911,MCULE-1661779846	316.352	RVKCAXLESQRURR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073866
COc1cc(ccc1OC)NC(=NCc1nnc2n1CCC2)N	PC-id_119117951	316.358	UUIJMCRGOWIIAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073950
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(OC)c2)OC)n1	MCULE-4957479159,EMOLS-id_330982655	316.352	RZWPBUMSEJCJQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073867
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1OC)OC	MCULE-7074424644,EMOLS-id_330965947	316.352	FYXGATPGOMIJOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073868
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)OC	MCULE-5430360078,EMOLS-id_330965691	316.352	OROGTKMLFCKTGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073869
CCOc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)O	SCHEMBL10641388,PC-id_70410420	316.352	ZUYHRRJXPCZCOR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-073870
o1c2CN(Cc2nc1COc1ccccc1)C(=O)OC(C)(C)C	SCHEMBL157874,PC-id_66608882	316.352	ZKBQDZAZJQJDHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073871
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC)cc1)C(=O)[O-]	PC-id_4293704	316.352	SQIZSWHUYWUFJS-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-073872
s1c2c(CCC2)c(c1NC(=O)c1c(OC)cccc1)C(=O)[O-]	PC-id_4293700	316.352	NYTZHEZIHNKDQZ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-073873
CC(=O)Nc1csc2c1C(=O)N(C2=O)CCS(=O)(=O)C	PC-id_142497354	316.353	UXUPEYSSKLRUSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073874
CC(=O)Nc1scc2c1C(=O)N(C2=O)CCS(=O)(=O)C	PC-id_142497340	316.353	NIDMNCJLWWAOIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-073875
N#Cc1c(NC(=O)C(c2ccc(cc2)F)C)nc2n1CCS2	EMOLS-id_318636177	316.353	JIIBKPOKIPMPIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073876
N#Cc1c(NC(=O)C(c2ccccc2F)C)nc2n1CCS2	EMOLS-id_318666988	316.353	GRBWGEDQMIQPGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073877
N#Cc1c(NC(=O)C(c2cccc(c2)F)C)nc2n1CCS2	EMOLS-id_318763113	316.353	JDNYERDOWPYPGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073878
O=C1N(C(=O)c2c1cn(c2)Cc1ccccc1)Cc1ccccc1	PC-id_12958495	316.353	YHCFXJICOHZABL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073879
O=C(CN1C(=O)c2sccc2S1(=O)=O)N1CCOCC1	PC-id_25250145,ZINC22_19894161,SPECS-id_AN-153/J113072,EMOLS-id_19229883,CoCoCo_6694931,MCULE-5374202515	316.353	UIECHNOJJGZFMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073880
S1CCn2c1nc(NC(=O)CCc1ccc(F)cc1)c2C#N	PC-id_60285127	316.353	BWMJXUCDSPFQII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073881
[C@@]123OCCCN1C(=O)C[C@H]2N(CC3)C(=O)c1c2CCCc2[nH]n1	MCULE-8465834966,ZINC22_1857725504,EMOLS-id_330450465	316.355	ZGLXPMXAVMDPRZ-WBMJQRKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-073882
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](Cc2cc(no2)C)C1)O	MCULE-2177671278,PC-id_135096801,EMOLS-id_317346531,ZINC22_1704345243	316.355	ULQUFSFTGCQWQQ-QMTHXVAHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073883
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)[nH]c(c(C(=O)O)c1C)C	MCULE-7439778357,PC-id_121495252,ZINC22_426370247,EMOLS-id_177365342	316.355	CHBHUBXQQZGPFJ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-073884
c1(C(=O)N(C)CCOC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316328243,MCULE-3953112815	316.355	FXIGDDTZCCYEOU-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073885
c1(C(=O)N(C)CCOC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-1603750217	316.355	FXIGDDTZCCYEOU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073886
c1(C(=O)N[C@H]2COC[C@H]2Cc2cc(no2)C)c2CCCc2[nH]n1	MCULE-8497070264,EMOLS-id_46601456,PC-id_72841575,ZINC22_95353810	316.355	AUUAHNMRZYVEIN-YGRLFVJLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073887
Cc1ccc(CN2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)o1	EMOLS-id_46160263,ZINC22_96066700,PC-id_97389040	316.355	URRLMDDXURHBGX-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-073888
CCc1[nH]nc(n1)[C@@H]1C[C@H](CN1C(=O)c1occ2c1CCC2)O	EMOLS-id_319746260	316.355	PXQAGFJXSWLHEO-PWSUYJOCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073889
CCOc1ccc(C(=O)NCc2nnc3n2CCC3)cc1OC	EMOLS-id_16689439,ZINC22_12992893,MCULE-7312376497,CoCoCo_4474344,PC-id_17503993	316.355	CRVVKYGPHKUOIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073890
CCOc1cc(C(=O)NCc2nnc3n2CCC3)ccc1OC	PC-id_45803629,CoCoCo_4560420,ZINC22_40486213,MCULE-6063018032,EMOLS-id_31870865	316.355	HJZJIVWLUHMIQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073891
Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1ccco1)C2	EMOLS-id_44325397,PC-id_97462007,ZINC22_96187549	316.355	QMSUIGISWXLFNS-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-073892
COc1ccc(cc1C(NC(=O)C1NCc2c1c[nH]n2)C)OC	EMOLS-id_319221789	316.355	VEYUAEIAQSVBKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073893
COc1ccc(c(c1)NC(=O)N1CCn2c1ncc2)OC(C)C	EMOLS-id_318441486,MCULE-6731308058	316.355	KPMVPTRCHDTBEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073894
COc1cccc(c1OCc1nnc2n1CCC2)C(=O)N(C)C	EMOLS-id_319691820	316.355	AESNTIXKUQBSKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073895
COc1cc(ccc1OC)C(NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318819401	316.355	AFKWSKVLOSLFRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073896
COc1cc(ccc1OC)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_31936112,PC-id_51079805,MCULE-9713225813	316.355	QRQYWFSNLIHHDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073897
COc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc1OC	ZINC22_48263652,PC-id_94175022	316.355	QRQYWFSNLIHHDB-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-073898
COc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc1OC	ZINC22_48263654,PC-id_94175024	316.355	QRQYWFSNLIHHDB-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073899
COc1c(C)[nH]cc(c1=O)CN(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_279025059	316.355	HTTOAMPYXBYRKM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073900
COc1cc(OC)cc(c1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_45744277,MCULE-2775474131,PC-id_71899535	316.355	IXPZVXUEPWNACD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073901
COc1cc(OC)ccc1NC(=O)C(N1CCn2c1ncc2)C	EMOLS-id_316982943,PC-id_145881255,MCULE-6693326384	316.355	PICKTULNVHRNBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073902
COc1cc(OC)cc(C(=O)N[C@@H](C)c2nnc3n2CCC3)c1	PC-id_97089736,ZINC22_89913811	316.355	IXPZVXUEPWNACD-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-073903
COc1cc(OC)cc(C(=O)N[C@H](C)c2nnc3n2CCC3)c1	PC-id_97089737,ZINC22_89913812	316.355	IXPZVXUEPWNACD-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073904
O=C(c1coc(n1)C1CCOCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_97858151,MCULE-1983196895	316.355	MGUXHIAUBQFFID-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073905
O=C(c1nn(c2c1CN(C2)Cc1cocc1)C)N1CCOCC1	PC-id_97389062	316.355	YXFLGMMWNAMERK-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-073906
O=C(CCn1c(C)cc(cc1=O)O)NCc1cnc2n1CCC2	EMOLS-id_320247532,MCULE-9531889080	316.355	SBZMNEQXNQWVCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073907
O=C(Nc1n(C)nc2c1CCC2)CCn1c(C)cc(cc1=O)O	EMOLS-id_97703582	316.355	BNKKYEPQOUWQMV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073908
O=C(Nc1n(C)nc2c1CCC2)CCN1C(=O)C(=C(C1=O)C)C	EMOLS-id_258039078,MCULE-2783561687	316.355	COPILSWZEKWVEP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-073909
O=C(NCc1n2CCCc2nn1)Cc1cc(OC)c(OC)cc1	PC-id_52024803	316.355	UYWBSKQNHSZIFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073910
c1(CC(=O)NCc2nnc3CCCn23)c(C)nc([nH]c1=O)CC	PC-id_136662096,MCULE-9230461103,EMOLS-id_55616737	316.358	PKBMKTVQIADXRF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073911
c1(CN2CCC(C2)Oc2ncc(cn2)OC)nnc2CCCn12	EMOLS-id_337126336,MCULE-7865018203	316.358	HPNHHFWYEZLOHC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073912
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2cn(cn2)C)n1	MCULE-5169499566	316.358	VWUQPGFOOBKGKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073913
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2cn(cn2)C)n1	EMOLS-id_316327743,MCULE-1557498493	316.358	VWUQPGFOOBKGKW-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-073914
c1(NC(=O)Cn2ncc(cc2=O)N(C)C)n(C)nc2CCCc12	ZINC22_19773897,CoCoCo_1460169,EMOLS-id_23823834,MCULE-2048399901,PC-id_28334042	316.358	BAACNONWSLMOKA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073915
c1(=O)nc(C)cc(C)n1CCC(=O)NCc1nnc2CCCn12	MCULE-9377804010,PC-id_46998481,ZINC22_55393203,EMOLS-id_31624705	316.358	CEPNCMFNPDVNEC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073916
Cc1cc(C)c(CNC(=O)NCc2nnc3n2CCC3)c(=O)[nH]1	PC-id_72051417,ZINC22_75111154,EMOLS-id_42951608,MCULE-8006816590	316.358	PANBOTOIBJUUGV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073917
Cc1cc([C@@H]2CCCN2C(=O)NCc2nnc3n2CCC3)on1	ZINC22_45388037	316.358	WADZUPCEGMOMMQ-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-073918
Cc1cc([C@H]2CCCN2C(=O)NCc2nnc3n2CCC3)on1	ZINC22_45388042	316.358	WADZUPCEGMOMMQ-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073919
Cc1cc(N[C@@H](c2nnc3n2CCC3)C(C)C)ncc1[N+](=O)[O-]	PC-id_97226223,ZINC22_95415004	316.358	SNOGGUMGMZDHGS-CQSZACIVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073920
Cc1cc(N[C@H](c2nnc3n2CCC3)C(C)C)ncc1[N+](=O)[O-]	ZINC22_95415005,PC-id_97226224	316.358	SNOGGUMGMZDHGS-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073921
Cc1cc(on1)C1CCCN1C(=O)NCc1nnc2CCCn12	EMOLS-id_177432993,PC-id_121503801,MCULE-3431253533	316.358	WADZUPCEGMOMMQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073922
Cc1cnc(N[C@H](c2nnc3n2CCC3)C(C)C)c([N+](=O)[O-])c1	PC-id_97226226,ZINC22_95415007	316.358	UIINIINERZTKMV-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073923
Cc1cnc(N[C@@H](c2nnc3n2CCC3)C(C)C)c([N+](=O)[O-])c1	ZINC22_95415006,PC-id_97226225	316.358	UIINIINERZTKMV-CYBMUJFWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073924
Cc1nc(CN2CCN(CC2)C(=O)c2[nH]nc3CCCc23)no1	EMOLS-id_110900777,EMOLS-id_82729695,ZINC22_112295420,PC-id_119069704,MCULE-4983554326	316.358	IZDQTQXFSQRVAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073925
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N	ZINC22_1875349145	316.358	OBDUOCRUMFXTBM-CPFSXVBKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073926
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N	ZINC22_1875349146	316.358	OBDUOCRUMFXTBM-FUXBKTLASA-N	00000010100000000001000010000000000000000000000000000000	25-01-073927
Cn1ncc(c1)CN1CCN(CC1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99570202	316.358	JMZLALAPAXEMMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073948
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N	ZINC22_1875349147	316.358	OBDUOCRUMFXTBM-UHLUBPPHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073928
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N	ZINC22_1875349148	316.358	OBDUOCRUMFXTBM-WPPNPWJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073929
Cc1noc(c1)CN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318912371	316.358	SYBYWPKZHLFKSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073930
Cc1noc(n1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_97795424	316.358	GDXHHBXQZMQOTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073931
Cc1onc(c1)CN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319455818	316.358	NRACRUXWHLPKJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073932
CCc1[nH]nc(n1)[C@@H]1C[C@H](CN1C(=O)c1cnc2n1CCC2)O	EMOLS-id_318900881	316.358	ZOAZXVJDMWLORI-ZJUUUORDSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073933
CCc1[nH]nc(n1)[C@@H]1C[C@H](CN1C(=O)c1cnn2c1CCC2)O	EMOLS-id_318988109	316.358	MHUVJQNIKOLZSU-SKDRFNHKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073934
CC(C(c1nnc2n1CCC2)Nc1ncc(c(c1)C)[N+](=O)[O-])C	MCULE-7942227915,EMOLS-id_48260845,PC-id_75380619	316.358	SNOGGUMGMZDHGS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073935
CC(C(c1nnc2n1CCC2)Nc1ncc(cc1[N+](=O)[O-])C)C	MCULE-8096821108,PC-id_75380620,EMOLS-id_48260847	316.358	UIINIINERZTKMV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073936
CC(CCOc1ccc(nn1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_316704673	316.358	YQVXKBHTYUJDGA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073937
CCCn1nc(ccc1=O)C(=O)NC(c1nnc2n1CCC2)C	PC-id_71896182,EMOLS-id_45751116,MCULE-9158382988	316.358	UHUKFPSICDEDNM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073938
CCCn1nc(C(=O)N(C)Cc2nnc3n2CCC3)ccc1=O	PC-id_53500325,ZINC22_42749651,EMOLS-id_35706506,MCULE-5047525709	316.358	BPEQBDPNDFSDLV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073939
CCCn1nc(C(=O)N[C@H](C)c2nnc3n2CCC3)ccc1=O	PC-id_97099031,ZINC22_89960614	316.358	UHUKFPSICDEDNM-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073940
CCCn1nc(C(=O)N[C@@H](C)c2nnc3n2CCC3)ccc1=O	ZINC22_89960613,PC-id_97099030	316.358	UHUKFPSICDEDNM-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-073941
CCOc1ccc(nc1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319246321	316.358	DKAZUNLHOPFLAU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073942
CC(Oc1ncccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319026174	316.358	AZJOAKDRPOUBFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073943
CCOc1ncc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319412714	316.358	NQBLERUACXGKJU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073944
CCOc1ncccc1NC(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_31978940,MCULE-2173793467,PC-id_45827311,CoCoCo_4921062,ZINC22_40540921	316.358	ZRBRHLFXZWCATQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073945
CC(=O)NC(Cc1cnc[nH]1)C(=O)NCc1n[nH]c2c1CCC2	PC-id_91833754	316.358	QCZNUFHXEQIKID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073946
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-1011274330,ZINC22_244787748,EMOLS-id_55639480	316.358	QCZNUFHXEQIKID-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073947
COc1ccc(c(n1)CC)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319035640	316.358	RYKRIPFVRGYUOI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073951
COC1(CN(C1)C(=O)c1n(C)nc2c1CCC2)c1cnnn1C	EMOLS-id_319430889	316.358	OFEOPNFDSHHVLO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-073952
COc1cnc(O[C@@H]2CCN(Cc3nnc4n3CCC4)C2)nc1	ZINC22_2087126990	316.358	HPNHHFWYEZLOHC-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073953
COc1cnc(O[C@H]2CCN(Cc3nnc4n3CCC4)C2)nc1	ZINC22_2087126991	316.358	HPNHHFWYEZLOHC-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-073954
COc1ncccc1CNC(=O)N(C)Cc1nnc2n1CCC2	MCULE-7815796390,EMOLS-id_35719682,PC-id_53503070,ZINC22_65415633	316.358	IWTYLEFUSCNQLM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-073955
CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_284632080,EMOLS-id_110556550,MCULE-8264423615	316.358	QNWVFNDLLGHWFT-SKDRFNHKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073956
O=C(c1cnc2n1CCC2)NCCc1nnn(c1)C1COCC1	EMOLS-id_320003663,MCULE-4853627068	316.358	UPDFZSWYDXMSLH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-073957
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)Cc1ccnn1C	EMOLS-id_319492784	316.358	GUZHLZFMBLAPEI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073958
O=C(c1nn2c(c1)OCC2)NC1CCN(CC1)c1nccn1C	EMOLS-id_99607309	316.358	TWUKQGHXVUVQEF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-073959
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)(O)Cn1nncc1	MCULE-5975421314,EMOLS-id_110527458	316.358	SIGQXZDBYPBNJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073960
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@](O)(Cn2ccnn2)C1	ZINC22_284698141	316.358	SIGQXZDBYPBNJV-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073961
O=C(c1n[nH]c2c1CCC2)N1CCC[C@](O)(Cn2ccnn2)C1	ZINC22_284698148	316.358	SIGQXZDBYPBNJV-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073962
O=C(c1nnn(c1)CC1(C)COC1)NCc1n[nH]c2c1CCC2	MCULE-6490337666,EMOLS-id_319871722	316.358	JGDIZMHMWRGCSS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-073963
O=C(Cn1nc(c(c1C)C(=O)C)C)NCc1nnc2n1CCC2	MCULE-8505643020,EMOLS-id_232836164	316.358	QHHGFPOIPADYGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-073964
O=C(NCCc1n2CCCc2nn1)c1nn(CCC)c(=O)cc1	PC-id_53525948	316.358	LBWQDRPTLGEKRO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-073965
n12C(=Nc3ccc(cc3)C)C(=Nc1nnc2)Nc1ccc(cc1)C	PC-id_10947029	316.36	XQVOKPKCLZOTDE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-073966
n12ncnc1N=C(Nc1ccc(cc1)C)/C/2=N/c1ccc(cc1)C	PC-id_11088380	316.36	BLCNNGAIVBFRDB-XLNRJJMWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-073967
O(c1c([nH]nc1)CNN=C1c2n(N=C1C)c(nn2)CCCC)C	PC-id_60031120	316.362	SXSNKRFFAYVLMW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-073968
CC1CC(c2n1ccn2)NCC1CCN(CC1)CC(F)(F)F	MCULE-7280910929,EMOLS-id_318248047	316.365	SWWMZUAPKDVRIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073969
CC(c1nn2c(c1)CCC2)NC1CCN(CC1)CC(F)(F)F	EMOLS-id_318179816,MCULE-4178298024	316.365	MHWVTQYOHZCKAU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073970
O=C(NCC1(O)CCC(F)(F)CC1)c1nc2c(s1)CCC2	ZINC22_620330881	316.367	IOLBACQRWAILFR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-073971
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1C)F	EMOLS-id_330975417,MCULE-5710120841	316.37	AWCUZACYRAOVSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073972
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1F)C	EMOLS-id_330975159,MCULE-9433741520	316.37	RQWZHEOBBZXPHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073973
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(C)c1F	EMOLS-id_330974906,MCULE-3166587161	316.37	GJKLNNAWHKQZOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073974
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(C)ccc1F	MCULE-1963444997,EMOLS-id_330974394	316.37	CBZHKRYTHTZBNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073975
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)F	MCULE-8157611491,EMOLS-id_330975673	316.37	OEPKONZDPRWXAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073976
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(C)cc(F)c1	EMOLS-id_330974650,MCULE-7858197097	316.37	OPFAOSXPKKKGNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073977
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)C	EMOLS-id_330974903,MCULE-3306174184	316.37	WQGQEQATOYRBHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073978
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(F)ccc1C	EMOLS-id_330975163,MCULE-4052024199	316.37	MXPCSBPJHGCEPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073979
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2C)F)n1	EMOLS-id_330994425,MCULE-4054284094	316.37	UDJFHWBPIJEERY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073980
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2F)C)n1	MCULE-6391895526,EMOLS-id_330993913	316.37	KZWLZPMCHOMRDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073981
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(C)c2)F)n1	EMOLS-id_330994169,MCULE-7039916646	316.37	HCWOYVWCHGCNRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073982
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(C)c2F)n1	MCULE-1065486418,EMOLS-id_330996473	316.37	ZEJKNNBWUNOFQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073983
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)ccc2F)n1	MCULE-5544098072,EMOLS-id_330996217	316.37	VVLPAJKBPYKLNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073984
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(F)c2C)n1	MCULE-5825743806,EMOLS-id_330994682	316.37	ZXILEBHMEBEWPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073985
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(F)c2)C)n1	MCULE-5914871387,EMOLS-id_330997752	316.37	YWLNFBCSVQHYBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073986
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)ccc2C)n1	EMOLS-id_330994938,MCULE-8276254223	316.37	VWFKJIMOHARESZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073987
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1C)F	EMOLS-id_330979252,MCULE-5607455274	316.37	AJYBRZLMAQNGFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073988
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1F)C	EMOLS-id_330978740,MCULE-7790418793	316.37	HYLLETKFXOHATR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073989
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)ccc1F	EMOLS-id_330981044,MCULE-4057976962	316.37	SWDBRJWRLNEGQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073990
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(C)c1F	EMOLS-id_330981300,MCULE-5662370936	316.37	OOZPYSDGHOYNSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073991
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)F	MCULE-7241119870,EMOLS-id_330978996	316.37	WIFWFEXJMQGCQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073992
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)C	EMOLS-id_330978484,MCULE-9448398483	316.37	FOVCWDDFAOLNJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073993
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(F)c1C	EMOLS-id_330979509,MCULE-9883209211	316.37	NCEKTMPGDQJQEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073994
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)ccc1C	EMOLS-id_330979765,MCULE-6847482391	316.37	DFSZBGIRIHTSGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073995
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)F	EMOLS-id_330979263,MCULE-8629290092	316.37	LLTUSUYITIOIBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073996
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccccc1F	EMOLS-id_330984113,MCULE-2454488442	316.37	APUOFPIUMPMEDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073997
COC(=O)c1c2C(C)CCc2nn1C(C)c1c(C)cccc1F	EMOLS-id_330975419,MCULE-5938540057	316.37	PYWLXQXZNOLSPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-073998
COc1ccc(cc1)C(=O)c1c(C)sc2c1CCC2C(=O)O	PC-id_13588824,SCHEMBL10740828	316.372	RNPHOCBEVKDVEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-073999
COc1cccc(c1)C(=O)c1c(C)sc2c1CCC2C(=O)O	SCHEMBL10741942,PC-id_13787405	316.372	CZAAXLDIJWMCCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074000
COc1ccccc1C(=O)c1c(C)sc2c1CCC2C(=O)O	SCHEMBL10747643,PC-id_13787411	316.372	QAVNIHWTDGZSEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074001
OC(=O)CC1CCc2c1sc(c2C(=O)c1ccccc1O)C	PC-id_20213618,SCHEMBL10745330	316.372	IUQVFKFQZCHKNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074002
s1c2CCCc2cc1C(=O)OCc1ccc(cc1)C(=O)OC	PC-id_7623818	316.372	TXNXEKHLHQZSHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074003
s1c2CCCc2cc1C(=O)OCc1cc(ccc1)C(=O)OC	PC-id_7623933	316.372	HNNGWDPBEMQOCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074004
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(OC)cc1	PC-id_7623791	316.372	ZTEBTBDFCRUUNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074005
s1c2CCCc2cc1C(=O)OCC(=O)c1cc(OC)ccc1	PC-id_45637924	316.372	QPSXIKQZFLHISV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074006
s1c2CCCc2cc1C(=O)OCC(=O)c1c(OC)cccc1	PC-id_7623627	316.372	SSJKLNQUOIJHBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074007
CC1CC(c2n1ncn2)NC[C@@H]1CCO[C@H]1c1ccc(cc1)F	EMOLS-id_318762710,MCULE-9036330993	316.373	JJXIWRIQMHVHNB-TWMICVPASA-N	00000010100000110001100010000000000000000000000000000000	25-01-074008
Cc1ccc(c(c1)CN(C(=O)NC1CC(n2c1ncc2)C)C)F	EMOLS-id_318419893	316.373	JOOMFUKUHOTPDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074009
CC(C)(C)c1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)F	PC-id_134789749	316.373	LDESEUVSGRVECB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074010
CC(C)CN(C(=O)c1c2c(nn1C)CCC2)c1ccc(F)cn1	PC-id_136570554,EMOLS-id_316980475,ZINC22_905982439,MCULE-9231672735	316.373	BATHKLWSOOIEII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074011
CC(=O)NC(c1ccccc1F)C(NC1CCn2c1ncc2)C	EMOLS-id_316587495	316.373	JZMNYNLSOVVOFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074012
CN(CCNC(=O)c1n[nH]c2c1CCC2)Cc1ccc(F)cc1	PC-id_71979270,ZINC22_96451693,MCULE-1545526981,EMOLS-id_49089351	316.373	YFWLEOIKJUWYHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074013
Fc1ccc(cc1)C1OCCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318514181	316.373	NKXIGDYYKDKCLM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-074014
Fc1ccc(cc1)C(C1CCCO1)NC1CC(n2c1ncn2)C	EMOLS-id_318713483,MCULE-6580644239	316.373	ISFROCOLKAILPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074015
Fc1cc(NCc2cnc3n2CCC3)cc(c1)N1CCOCC1	MCULE-7978111920,EMOLS-id_318053053	316.373	NOGFRDIHTVBUPO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-074016
c1(c2CCCc2sc1NC(=O)OC)C(=O)Nc1ccccc1	EMOLS-id_13331162,CoCoCo_1072358,MCULE-7936638296,PC-id_17173242,TIMTEC328041,ZINC22_13329162	316.375	NDMWTSCQLDISKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074017
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCC2)c1C#N	PC-id_6468050,SCHEMBL15281318,MCULE-5196346210,EMOLS-id_2547016,TIMTEC609560	316.375	ZZXXMONTRRJGDO-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074018
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL1000-0667,CoCoCo_1661587,SPECS-id_AP-970/41445548,SPECS-id_AN-153/I181391,ZINC22_191267,EMOLS-id_2974443,PC-id_747046,MCULE-7677192653	316.375	JOTCAPYUHZTIGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074019
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	CoCoCo_6461699,PC-id_4503192,MCULE-8075390325,ZINC22_5359374,EMOLS-id_4001211,SPECS-id_AN-153/I293078,TIMTEC315909,SPECS-id_AE-848/09436010	316.375	MQBHKACRPYZTDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074020
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL5578806,ZINC22_126668,CoCoCo_665463,SPECS-id_AE-848/34090030,MCULE-7955753166,EMOLS-id_2362433,PC-id_722586	316.375	YCONRVQFOFFCLF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074021
c1(NC(=O)c2ccncc2)sc2c(CCC2)c1C(=O)OCC	ZINC22_64689,PC-id_692957,EMOLS-id_1230795,STOCK3S-13640,CoCoCo_666449,SPECS-id_AE-848/34090029,MCULE-1953335407	316.375	MMKRSGAAIIRLKZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074022
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)NC	MCULE-2797710266	316.375	JKYYTAOWONOJQU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074023
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-3066482477,PC-id_732279,BAS-06191909,EMOLS-id_1088714,ZINC22_146443,CoCoCo_346294	316.375	ZUILETGUSMRZSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074024
c1(NC(=O)Nc2ccccc2)sc2c(CCC2)c1C(=O)OC	TIMTEC285216,MCULE-3679913626,ZINC22_2737385,EMOLS-id_4001213,SPECS-id_AO-476/40291543,PC-id_3270953,CoCoCo_6778920	316.375	LHTFMLLZZVPDNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074025
Cc1noc(c1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101168478	316.375	WKRHGTVHZLBSPP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074026
CC(C)(C)OC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	PC-id_86584525	316.375	UEFKYPIKRCFJGA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074027
C/C(=NNC(=O)c1cc2c(s1)CCC2)/c1c(cc(cc1)O)O	PC-id_135749606	316.375	RVZYFHDWMDZKLP-RQZCQDPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074028
CC(=O)c1cccc(OCC(=O)Nc2nc3c(s2)CCC3)c1	ZINC22_15636672,MCULE-5196824119,EMOLS-id_43971884,CoCoCo_4164188,PC-id_24246265	316.375	WEHPVGXZMOKFEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074029
CC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1	MCULE-9781586138,ZINC22_15636658,PC-id_24245782,EMOLS-id_17205669,CoCoCo_4164177	316.375	GPRIWKJQPCEYTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074030
CCOC(=O)c1c(NC(=O)c2ccccn2)sc2CCCc12	MCULE-2255116694,EMOLS-id_328023208	316.375	UXDMFOSMONBKDP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074031
Cc1ccc(o1)C(N1CCOCC1)CNC1CCn2c1ncc2	EMOLS-id_318083832	316.398	ZUCSHPDTSPPTPL-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-074138
CCOC(=O)c1[nH]c(c(c1C)C)/C=C/1C(=O)Nc2c1ccs2	SCHEMBL7154856	316.375	XTIMIKFIQFQOIV-XFFZJAGNSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074032
CNC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2CCCc12	EMOLS-id_334335184	316.375	JKYYTAOWONOJQU-BQYQJAHWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074033
COc1c(ccc(c1)/C=N/NC(=O)c1cc2c(s1)CCC2)O	PC-id_135749590	316.375	QWYWMABGNYLSAY-RQZCQDPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074034
COc1cccc(c1)C(=O)Nc1sc2CCCc2c1C(=O)N	EMOLS-id_43812106,SCHEMBL8289809,CoCoCo_3218610,ZINC22_3268332,PC-id_2384685,MCULE-9040140051	316.375	FVQNVDPDMWZUDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074035
COc1ccc(c(c1)NC(=O)c1sc2c(n1)CCC2)C(=O)C	PC-id_57965145,SCHEMBL8005982	316.375	POSFLWMEHJGJES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074036
COc1cccc(c1O)/C=N/NC(=O)c1cc2c(s1)CCC2	PC-id_135749604	316.375	CMWQFBFKKHXMED-RQZCQDPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074037
COc1cc(c(cc1)O)/C=N/NC(=O)c1cc2c(s1)CCC2	PC-id_135749607	316.375	JOXCFKHVKRJXLK-RQZCQDPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074038
COC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	PC-id_71939407,MCULE-3987432133,EMOLS-id_44498770,ZINC22_83891509	316.375	SDVLGLNBUURNBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074039
N#Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834598,ZINC22_5725681,PC-id_40558921	316.375	ZZXXMONTRRJGDO-GHMZBOCLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074040
N#Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834599,PC-id_40558925,ZINC22_5725684	316.375	ZZXXMONTRRJGDO-WDEREUQCSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074041
N#Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834601,ZINC22_5725680,PC-id_40558919	316.375	ZZXXMONTRRJGDO-MNOVXSKESA-N	00000010100011000000000010000000000000000000000000000000	25-01-074042
N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_5725683,PC-id_40558923,CoCoCo_6834600	316.375	ZZXXMONTRRJGDO-QWRGUYRKSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074043
O=C(c1cccc(c1)C1OCCO1)Nc1sc2c(n1)CCC2	EMOLS-id_318491346	316.375	BCELYRCJYCJEAR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074044
O=C(c1ccc(cc1)C1OCCO1)Nc1sc2c(n1)CCC2	EMOLS-id_318680662	316.375	QFSSZCCTQFQJTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074045
O=C(c1ccc(cc1)C1(O)COC1)Nc1sc2c(n1)CCC2	EMOLS-id_320089023,MCULE-2377519401	316.375	VULBHDQWCIRIRO-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074046
O=C(c1c(sc2c1CCC2)NC(=O)c1ncoc1C)C1CC1	EMOLS-id_101170452	316.375	LQMPQHYRXPRNLK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074047
O=C(c1c(sc2c1CCC2)NC(=O)c1ocnc1C)C1CC1	EMOLS-id_101170473	316.375	IKNCAYJAJDAEAQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074048
O=C(Cc1nc2c(s1)CCC2C(=O)O)NCc1ccccc1	SCHEMBL1200452,PC-id_57907527	316.375	BTJARBGBNYAMOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074049
O=C(Nc1sc2c(c1C(=O)O)CCC2)NCc1ccccc1	EMOLS-id_107821294	316.375	PXJDJNMFDFILPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074050
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc2n1CCS2)C	PC-id_20270348,SCHEMBL10999395	316.375	WTYGGRWZCLLZBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074051
OC(=O)CC(c1ccccn1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_317022264,MCULE-2611784835	316.375	CVLHPTICKDLQIQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074052
O=C(O)C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccn1	ZINC22_1775990606	316.375	CVLHPTICKDLQIQ-GFCCVEGCSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074053
O=C(O)C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccccn1	ZINC22_1775990610	316.375	CVLHPTICKDLQIQ-LBPRGKRZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074054
s1c2CCCc2cc1C(=O)NNC(=C1C(=CC(=O)C=C1)O)C	PC-id_9462575	316.375	JGMLARPNHLCLJH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074055
s1c2CCCc2cc1C(=O)NNC=C1C=C(OC)C=CC1=O	PC-id_9462590	316.375	PEWYRXPUPZGICO-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074056
s1c2CCCc2cc1C(=O)NNC=C1C=C(OC)C(=O)C=C1	PC-id_9462411	316.375	QCEBAOQIAPXTRS-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074057
s1c2CCCc2cc1C(=O)NNC=C1C(=O)C(=CC=C1)OC	PC-id_9462534	316.375	ZHEZZWVHOBGYFQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074058
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(ccc1O)C	PC-id_8123268	316.375	RRZLAGXGAVAVSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074059
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OC)cc1	PC-id_26872724	316.375	NYVKBFSVAKECLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074060
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)ccc1	PC-id_27684438	316.375	FUTNBTLAWAIBDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074061
s1c2CCCc2cc1C(=O)NNC(=O)c1c(O)cc(cc1)C	PC-id_43016963	316.375	PIBFLTINIPUWEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074062
s1c2CCCc2cc1C(=O)NNC(=O)c1c(O)c(ccc1)C	PC-id_8123257	316.375	WLIGIRFELUEHBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074063
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OC)cccc1	PC-id_27684409	316.375	BJSAAXVOEGAWKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074064
s1c2CCCc2cc1C(=O)NNC(=O)COc1ccccc1	PC-id_26872754	316.375	VOPOYPJYPZBUOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074065
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)CO)C(=O)N	PC-id_2123798	316.375	KPNXLRXWJCBZJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074066
s1c2CCCc2c(c1NC(=O)COC(=O)C=CC=CC)C#N	PC-id_78593998	316.375	HGVTZVZDCIZHDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074067
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/C=C/C)C#N	PC-id_8020943	316.375	HGVTZVZDCIZHDV-CRBCFSCISA-N	00000010100000000000000010000000000000000000000000000000	25-01-074068
s1c2NC(=O)C(=Cc3[nH]c(c(c3C)C)C(=O)OCC)c2cc1	PC-id_70006298	316.375	XTIMIKFIQFQOIV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074069
CCNC(=NCc1ccc(cc1)F)NCc1nnc2n1CCC2	PC-id_111020277	316.377	OMNXIRGFHIOLBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074070
CCNC(=NCc1ccccc1F)NCc1nnc2n1CCC2	PC-id_111020309	316.377	RAJCEPRCRDWGNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074071
CCNC(=NCc1cccc(c1)F)NCc1nnc2n1CCC2	PC-id_111020613	316.377	NWRSBGZRFHSIRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074072
CC(OCCS(=O)(=O)NCC(=O)N1CCn2c1ncc2)C	EMOLS-id_279043880	316.377	VPKRSCFPBXXQKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074073
CN=C(N(Cc1cccc(c1)F)C)NCc1nnc2n1CCC2	PC-id_111285807	316.377	ZPFBJOZJHLFCOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074074
CN=C(N(Cc1ccc(cc1)F)C)NCc1nnc2n1CCC2	PC-id_111307340	316.377	KNUYZOHYGLROFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074075
CN=C(NCc1nnc2n1CCC2)NCc1ccc(c(c1)C)F	PC-id_111020563	316.377	BZGHHQYOWZQBOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074076
CN=C(NCc1nnc2n1CCC2)NCc1ccc(c(c1)F)C	PC-id_111020547	316.377	GJBQUKINECYYTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074077
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1)F	PC-id_111020271	316.377	GWLLHEWUKQHAQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074078
CN=C(NCc1nnc2n1CCC2)NCCc1ccccc1F	PC-id_111020459	316.377	FBCSBJQZEHICHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074079
CN=C(NCc1nnc2n1CCC2)NCCc1cccc(c1)F	PC-id_111020515	316.377	ALUSIDVSZSJXDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074080
S(=O)(=O)(NC(c1n2CCCc2nn1)C)CCCC(=O)OC	PC-id_61460118	316.377	WFNIDSPVUBKAIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074081
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)CCCC(=O)OC	PC-id_61460137	316.377	PNNHGCAWOSZNJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074082
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1cccs1	MCULE-5635484751,EMOLS-id_168604160	316.378	FBSCMOLAWBGTGP-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-074083
c1(CNS(=O)(=O)c2ccc(cc2)C#N)c2CCCc2nn1C	ZINC22_225819230,PC-id_91819427,EMOLS-id_53884723,MCULE-8164936822	316.378	XKVHWVHIUHNMHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074084
c1(NC(=O)c2cccc(c2)NC(=O)C)n(C)nc2CSCc12	EMOLS-id_334564541,MCULE-3376356356	316.378	KWRNBYBLXACQET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074085
c1(NC(=O)c2cnc(cn2)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330845,MCULE-6975631694	316.378	YKTOIPMHPBIFIQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074086
c1(NC(=O)CNC(=O)c2ccccc2)n(C)nc2CSCc12	EMOLS-id_334567345,MCULE-1000482088	316.378	AFPTXPADTOCSHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074087
c1(NC(=O)NCc2ccccn2)sc2c(CCC2)c1C(=O)N	ZINC22_6672181,STOCK6S-12091,PC-id_17584053,MCULE-1864723643,EMOLS-id_4742713	316.378	PUWNZFFBLCXZCI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074088
c1(NC(=O)NCc2cccnc2)sc2c(CCC2)c1C(=O)N	MCULE-4888509068,CoCoCo_1095857,CHEMBL4576262,ZINC22_6671699,PC-id_17583475,EMOLS-id_4740150,STOCK6S-10350	316.378	OAVOASANFRMISB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074089
c1(NC(=O)NCc2ccncc2)sc2c(CCC2)c1C(=O)N	STOCK6S-07382,PC-id_8030930,ZINC22_6662513,MCULE-3420417176,EMOLS-id_4735710	316.378	SYBVRGVURXWTGH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074090
COCc1nc2s/c(=Cc3ccc(cc3)N(C)C)/c(=O)n2n1	EMOLS-id_324899840	316.378	OGJMEABGYLNFID-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074091
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)COC	MCULE-9923167782	316.378	OGJMEABGYLNFID-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074092
N#Cc1ccc(c(c1)C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319334511	316.378	REJHPWJJVZVUAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074093
N#Cc1ccc(cc1)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319744718	316.378	PDWUFQJWBOZPFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074094
N#Cc1cccc(c1)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319807562	316.378	RXFYSYRVWBBFGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074095
N#Cc1ccc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_318588859	316.378	LPSBAECCCJRWCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074096
N#Cc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320111752,MCULE-6081839294	316.378	ODJQYIBOIFSTHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074097
N#Cc1c(C)cccc1S(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-1470600156,EMOLS-id_320147943	316.378	LMEOASJIDAMYFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074098
N#CCc1ccc(cc1)CS(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-9946679947,EMOLS-id_320318244	316.378	LMPIMLKUUWPLDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074099
N#CCc1ccc(cc1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319182935	316.378	NFPAMOVFIJAORK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074100
N#CCc1cccc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-5712458540,EMOLS-id_319997367	316.378	INCOYPJAGKABQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074101
O=C(c1c(sc2c1CCC2)NC(=O)c1cnnn1C)C1CC1	EMOLS-id_99832387	316.378	VPBPODGWYIRYJZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074102
s1c2CCCc2nc1CCNCc1onc(n1)c1occc1	PC-id_50959363	316.378	VKZGYVURPYMKLL-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-074103
S1Cc2c(onc2C1)NC(=O)C1NNC(C1)c1ccccc1	PC-id_75355107	316.378	OBOWYUWYEQIKQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074104
c12nc(cn1nc(C)s2)CCNC(=O)c1c2CCCc2[nH]n1	CoCoCo_1355966,MCULE-9486295313,CoCoCo_1355965,PC-id_29258290,EMOLS-id_23817399,ZINC22_20999085	316.381	ZRPYCFLEJSKPAT-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-074105
Cc1nccn1CCCC(=O)Nc1nc2n(c1C#N)CCS2	PC-id_72127652,MCULE-3270034329,ZINC22_76020749,EMOLS-id_43380478	316.381	ZLBDUVZMUKSULB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074106
Cc1nnc2CC(CNC(=O)Cc3cn4ccsc4n3)Cn12	MCULE-5029561112,EMOLS-id_317869260	316.381	NDNXEDMWNPXGBC-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-074107
Cc1nnc2n1C[C@H](CNC(=O)Cc1cn3ccsc3n1)C2	ZINC22_1772816306	316.381	NDNXEDMWNPXGBC-JTQLQIEISA-N	00000010100000000001000110000000000000000000000000000000	25-01-074108
Cc1nnc2n1C[C@@H](CNC(=O)Cc1cn3ccsc3n1)C2	ZINC22_1772816307	316.381	NDNXEDMWNPXGBC-SNVBAGLBSA-N	00000010100000000001000110000000000000000000000000000000	25-01-074109
Fc1ccc(cc1)N1CCC(C1=O)NC1CCc2c1scc2	EMOLS-id_318754707,MCULE-1696476565	316.393	OCBBFBHGKVQARV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-074110
O=C1C(CCN1c1ccccc1F)NC1CCc2c1scc2	EMOLS-id_318562507,MCULE-7866807974	316.393	SEUBPLOVFUOFAS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-074111
O=C1CC(CN1c1ccccc1F)NC1CCc2c1scc2	MCULE-3247366127,EMOLS-id_318601151	316.393	INIDSFQVBUVJMS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-074112
O=C(C1Cc2cscc2C1)N1CC[C@@H](c2ccc(F)nc2)C1	ZINC22_1875299582	316.393	PJJUZIAKEMQTPP-GFCCVEGCSA-N	00000010100000101000100010000000000000000000000000000000	25-01-074113
O=C(C1Cc2cscc2C1)N1CC[C@H](c2ccc(F)nc2)C1	ZINC22_1875299583	316.393	PJJUZIAKEMQTPP-LBPRGKRZSA-N	00000010100000101000100010000000000000000000000000000000	25-01-074114
COCc1cn2c(n1)O[C@@H](C2)COc1ccc(cc1)C(C)(C)C	PC-id_140261633	316.395	KEWJCCOYBGEUQK-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074115
FC1CCC(C1)CS(=O)(=O)NC(c1nnc2n1CCC2)C	MCULE-5431854591,EMOLS-id_320151407	316.395	UQOCOBNBSXRSCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074116
O=C(C1CC(=O)c2c1cco2)N1CCCCC1CN1CCCC1	PC-id_18915110,SCHEMBL8900366	316.395	JSBASWQDLBQJPM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-074117
CCOC(=O)C1CCc2c1nc(s2)NS(=O)(=O)C1CC1	SCHEMBL21044359,PC-id_138673799	316.396	POVIDGMJTRNQBA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074118
CS(=O)(=O)N1CCc2sc(C(=O)N3CCOCC3)cc12	ZINC22_96264579,PC-id_97524518	316.396	FVAJNMSNRFFPKD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074119
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1	MCULE-1401573891,EMOLS-id_328219250	316.396	XMXWQYLVGRVUBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074120
O=C(C1(COC1)CS(=O)(=O)C)Nc1sc2c(n1)CCC2	EMOLS-id_318975622	316.396	QZQRPDVCBWXZEQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-074121
O=C(c1sc2c(c1)CCC2)NNC(=O)C(S(=O)(=O)C)C	PC-id_47221281,EMOLS-id_33351068,MCULE-5470815045	316.396	DQFSMQMVZAWBMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074122
OC(=O)C1CCc2c1nc(s2)NC1(C)CCS(=O)(=O)C1	PC-id_104288277	316.396	UTGHUGCZIVFXOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074123
OC(=O)C1CCc2c1nc(s2)NC1CCCS(=O)(=O)C1	PC-id_104288780	316.396	VIVAMRVZCVOKLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074124
OC(=O)C1CCc2c1nc(s2)N(C1CCS(=O)(=O)C1)C	PC-id_104288015	316.396	KXTJHMXDWGTYTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074125
OC(=O)C1CCc2c1nc(s2)NC1CCS(=O)(=O)CC1	PC-id_104287993	316.396	NVWWEXFHRXGSKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074126
OC(=O)C1CCc2c1nc(s2)NCC1CCCS1(=O)=O	PC-id_104289125	316.396	VCTNCARSGCPMAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074127
OC(=O)C1CCc2c1nc(s2)NCC1CCS(=O)(=O)C1	PC-id_104288544	316.396	NMRSQUXCJXMWJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074128
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H](S(=O)(=O)C)C	PC-id_52276742	316.396	DQFSMQMVZAWBMU-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074129
s1c2CCCc2cc1C(=O)NNC(=O)[C@H](S(=O)(=O)C)C	PC-id_52276743	316.396	DQFSMQMVZAWBMU-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074130
S(=O)(=O)(N1CCCC1)Nc1sc2c(CCC2)c1C(=O)O	PC-id_43328053	316.396	GUPLTUCYBJSRNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074131
c12CN(Cc1n(nc2)CCO)Cc1onc(C2CCCCC2)c1	EMOLS-id_55695343,PC-id_91841788,ZINC22_244828532,MCULE-5723067698	316.398	TXXIKQUSVUYRHZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074132
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)C1CCCCC1	MCULE-6527508915,EMOLS-id_168604157	316.398	QTYKROIIKKNPRE-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074133
c12CN(Cc1nn(CC1CCCC1)c2C#N)C(=O)OC(C)(C)C	EMOLS-id_324354410,MCULE-5106644797	316.398	IUMRRKWOVMIBBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074134
C1Cc2c(n(c(=O)n2C1)CCCCNCCc1ccccn1)O	PC-id_91930427,BindingDB_PC-id_91930427	316.398	CTEYUMIIDZEOMM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074135
c1(C(=O)NC2CCN(CC2)C(=O)C2CCC2)c2CCCc2[nH]n1	MCULE-3606504029,EMOLS-id_323258553	316.398	YBFJUDGZZIFAPA-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-074136
Cc1c(cc(o1)C(C)(C)C)C(=O)NC(C)c1nnc2n1CCC2	MCULE-3275728193,PC-id_136562731,EMOLS-id_316963217	316.398	DTORYHHECVJYPB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-074137
Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC22_930483614	316.398	DTORYHHECVJYPB-JTQLQIEISA-N	00000010101000000001000010000000000000000000000000000000	25-01-074139
Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_930483615	316.398	DTORYHHECVJYPB-SNVBAGLBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-074140
CCCNC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109592	316.398	HISGZWPNMUSKOS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-074141
CC(=O)N(C1CC1)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316069917,MCULE-6911516684	316.398	PEMBOSURTOHIGH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074142
CC(=O)N(C[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2)C1CC1	ZINC22_276496877	316.398	PEMBOSURTOHIGH-CYBMUJFWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074143
CC(=O)N(C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2)C1CC1	ZINC22_276496879	316.398	PEMBOSURTOHIGH-ZDUSSCGKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074144
CN(C)C(=O)c1nn(C)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2	ZINC22_1565552577	316.398	NTJDPTASVGDOIV-QGZVFWFLSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074145
CN(C)C(=O)c1nn(C)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2	ZINC22_1614931366	316.398	NTJDPTASVGDOIV-KRWDZBQOSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074146
CN(C)C(=O)c1nn(C)c2CN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313721508	316.398	NTJDPTASVGDOIV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074147
COCCOc1cc(C)ccc1CNC1CC(n2c1ncn2)C	EMOLS-id_319762765	316.398	DTAKELAJFVOXFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074148
N#Cc1c(NC(=O)C[NH2+][C@@H](c2ccco2)C)sc2c1CCC2	PC-id_41193417,GD-id_ZINC09741686	316.398	ZXBXVWAKVINYMB-SNVBAGLBSA-O	00000010101000000000000010000000000000000000000000000000	25-01-074149
N#Cc1c(NC(=O)C[N@@H+](Cc2ccco2)C)sc2c1CCC2	GD-id_ZINC09513844,PC-id_41103781	316.398	OEGFFLFCUYIWTD-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-074150
O=C1CCCCN1C1CCCN(C1)C(=O)c1cnn2c1CCC2	MCULE-7492793835,EMOLS-id_320222505	316.398	BEVNPDRBENPVAC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074151
O=C1CCCN1CC1CCCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_319156982	316.398	ZNKPYEGZAOVKRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074152
O=C(C1CCCN(C1)C(=O)C1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_110789466	316.398	ZHUTXRSUAKYBKY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074153
O=C(C1CCCN(C1)C(=O)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319625320	316.398	QMMRLZOCVYBAAS-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074154
O=C(C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)NCC1CC1	EMOLS-id_320290032,MCULE-4242281139,PC-id_138996028	316.398	QRBKTZXJOAHRAQ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074155
O=C(C1CN(C(=O)C1)C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318769905	316.398	PSGAHNBZASOLDF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074156
OC(COc1c(C)cccc1C)CNC1CC(n2c1ncn2)C	EMOLS-id_320295285,MCULE-7710629735	316.398	DWSTZJMPPHYNLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074157
O=C(N1C(c2[nH]nc(NC(=O)C3CCC3)c2C1)(C)C)CC1CC1	PC-id_10313687	316.398	XAUQIAOPGFOOAZ-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-074158
O=C(N1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)CCC2)C1CC1	EMOLS-id_101347605	316.398	YOFNXOFSRBRHNF-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074159
O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_122056847	316.398	QRBKTZXJOAHRAQ-LBPRGKRZSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074160
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_122057065	316.398	QRBKTZXJOAHRAQ-GFCCVEGCSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074161
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1occc1)C)C#N	PC-id_74751937	316.398	ZXBXVWAKVINYMB-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-074162
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1occc1)C)C#N	PC-id_41193413	316.398	ZXBXVWAKVINYMB-JTQLQIEISA-O	00000010101000000000000010000000000000000000000000000000	25-01-074163
s1c(c2n(C(N([O])C2(C)C)(C)C)c1=N)C(=O)c1ccccc1	PC-id_10892455	316.398	SWFAEGXPTLJFRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074164
NC(=O)C1CSCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221547	316.4	PBLVYLZPQJEMBD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074165
c1(C(=O)/N=c/2scc(c3cccs3)[nH]2)c2CCCc2[nH]n1	MCULE-7478333056,EMOLS-id_48563236,EMOLS-id_49409244,ZINC22_95479743,STOCK7S-40532,PC-id_71709019	316.401	MZIMEQCKWXJAMW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074166
c1(C(=O)NCc2nnc3CCCn23)cc(nn1CC)CC(C)C	EMOLS-id_32405798,ZINC22_65419519,MCULE-1027525259,PC-id_50968021	316.401	KJPMBZPACILHPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074167
c1(NC(=O)CSc2ncccn2)sc2c(CCC2)c1C#N	EMOLS-id_2114545,CoCoCo_715295,ZINC22_77236,PC-id_699077,TIMTEC307911,MCULE-4691093305	316.401	MHFOQCMTZFBWOJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074168
c1(sc2c(CCC2)n1)NC(=O)c1cc([nH]n1)c1ccsc1	MCULE-8023427286,EMOLS-id_323361235	316.401	XHPBKBYVTNKFML-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074169
c1(sc2c(CCC2)n1)NC(=O)c1csc(n2cccc2)n1	MCULE-2550837820,EMOLS-id_320506946	316.401	WVPUQJCMPKXVTN-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-074170
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2cccs2)c1	ZINC22_96118646,STOCK7S-45044,EMOLS-id_48571512,EMOLS-id_50403832,PC-id_71827811,MCULE-3337339366	316.401	NXCPAMSHBALEKA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074171
Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_95152021,ZINC22_65554470	316.401	XBKMNWLPWFZZIA-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-074172
Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_95152022,ZINC22_65554471	316.401	XBKMNWLPWFZZIA-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074173
Cc1nn(CCC(=O)NCC2Cc3nnc(C)n3C2)c(C)c1C	EMOLS-id_317459826,MCULE-8845788942,PC-id_137345075	316.401	ABWVFJUVCFIYRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074174
Cc1nn(CCC(=O)NC[C@@H]2Cc3nnc(C)n3C2)c(C)c1C	ZINC22_1772700559	316.401	ABWVFJUVCFIYRF-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074175
Cc1nn(CCC(=O)NC[C@H]2Cc3nnc(C)n3C2)c(C)c1C	ZINC22_1772700563	316.401	ABWVFJUVCFIYRF-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074176
CCc1nc([C@@H]2COC[C@@H]2NCc2c3c(nn2C)CCC3)n[nH]1	ZINC22_1875397845,PC-id_146112171,EMOLS-id_323995859,MCULE-3254048025	316.401	QERFSQBITLZIPJ-YPMHNXCESA-N	00000010100000000001100010000000000000000000000000000000	25-01-074177
CN1CCOCC1c1c(C)nn(c1C)Cc1nnc2n1CCC2	EMOLS-id_319832667	316.401	BTZLKHOXFFIXOJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074178
CN1CCO[C@H]([C@@H]1c1ccnn1C)CNC1CCn2c1ncc2	EMOLS-id_316145501,MCULE-1678897787	316.401	VPCLVKXOGYFWEH-ZRNAQANOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074179
CN1CCO[C@@H](CN[C@H]2CCn3ccnc23)[C@@H]1c1ccnn1C	ZINC22_886085609	316.401	VPCLVKXOGYFWEH-QEJZJMRPSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074180
CN1CCO[C@@H](CN[C@@H]2CCn3ccnc23)[C@@H]1c1ccnn1C	ZINC22_886085611	316.401	VPCLVKXOGYFWEH-SNPRPXQTSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074181
COCc1nc(cc(n1)C)NC(c1nnc2n1CCC2)C(C)C	MCULE-2184599728,PC-id_75380617,EMOLS-id_48260841	316.401	GXFQNBYKYVRWRQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074182
COCc1[nH]nc(n1)C1CCCCN1Cc1cnc2n1CCC2	EMOLS-id_318070456	316.401	WHVZJYBNWKJERT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074183
CO[C@@H]1C[C@@H](Cn2ccc(N)n2)N(Cc2cc3n(n2)CCC3)C1	ZINC22_952889702,EMOLS-id_316106445,MCULE-8293722487	316.401	KMZYASGDJNNOBS-LSDHHAIUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074184
N#Cc1c(NC(=O)c2sccc2C2CC2)nc2n1CCS2	EMOLS-id_318709186	316.401	FVPHPHYHVVHWFR-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-074185
O=C(NC(c1n2CCCc2nn1)C)CCc1c(n(nc1C)C)C	MCULE-4808533952,PC-id_53514620,EMOLS-id_35706338	316.401	XBKMNWLPWFZZIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074186
O=C(N(Cc1n2CCCc2nn1)C)CCc1c(n(nc1C)C)C	PC-id_53499604	316.401	NLCKQWXGRLQSJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074187
CC(C)c1nc(NCCc2nnc3n2CCC3)nc(N(C)C)n1	MCULE-5025560283,EMOLS-id_48804665,ZINC22_95981498,PC-id_75470602	316.405	BFGWUYFXUWQHHE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074188
CCNC(=NCc1nnc2n1CCC2)NCCCn1cccn1	PC-id_111020657	316.405	HICJYBJASSVAGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074189
S1(=O)(=O)C(c2c(C1Cc1ccccc1)coc2)CCCC=C	PC-id_85626797	316.415	PLVCECGKJSBUJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074190
c12CN(Cc1sc(C(=O)Nc1cccc(OC)c1)c2)C(C)C	MCULE-6039876488,EMOLS-id_32995640,PC-id_53171044	316.418	IMJOBMGFFPZVCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074191
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)SC	EMOLS-id_330972594,MCULE-3961963589	316.418	GHSZCTRARROZTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074192
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(SC)c1	MCULE-8519092911,EMOLS-id_330970293	316.418	HSVZDSWBYDXBCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074193
c1(NC(=O)Cc2ccc(cc2)OC(C)C)sc2c(CCC2)n1	EMOLS-id_334662096,MCULE-1938791911	316.418	TWAGPVATELZXDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074194
c1(NC(=O)Cc2ccc(cc2)OCCC)sc2c(CCC2)n1	MCULE-3996006349,EMOLS-id_334661840	316.418	VQXQYMKQGWRMCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074195
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)n1	EMOLS-id_334661591,MCULE-7561820218	316.418	BXYNNOIOZUBKEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074196
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)n1	EMOLS-id_334663638,MCULE-2884690440	316.418	NMAKITJICFVNSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074197
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)n1	EMOLS-id_334662358,MCULE-3813601038	316.418	HSNGFCFDZRSHGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074198
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)n1	MCULE-9156509278,EMOLS-id_334662614	316.418	NFXPOYPIYLCCJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074199
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)OCC(C)C	EMOLS-id_334660824,MCULE-1164705859	316.418	JDTUFIKWQZMPPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074200
c1(sc2c(CCC2)n1)NC(=O)c1cccc(c1)OCC(C)C	EMOLS-id_334663639,MCULE-7935556409	316.418	TUEOUWAFGVKUMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074201
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)OCCCC	PC-id_33039820,EMOLS-id_323484183,MCULE-4590612546	316.418	WRJRJODHXWTGBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074202
Cc1cc(C)c(OCC(=O)Nc2nc3c(s2)CCC3)c(C)c1	ZINC22_12950054,PC-id_25628460,EMOLS-id_24102394,CoCoCo_4164144,MCULE-1097111443	316.418	MFMHDXCEEPFKFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074203
CC(=C)C1Cc2c(C1)n(nc2C)S(=O)(=O)c1ccc(cc1)C	STOCK1N-10969,CNP0364429,EMOLS-id_2363650,MCULE-4911243228,PC-id_2856079,Chemmine_2305	316.418	JGBFYSBLLQUYAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074204
CC(C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCC2	PC-id_26723268,MCULE-3539642762,CoCoCo_4164222,EMOLS-id_23968142,ZINC22_15636763	316.418	CCUDEHAECMSFCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074205
C=C(C)[C@H]1Cc2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2C1	CoCoCo_668652,PC-id_928819,ZINC22_519152	316.418	JGBFYSBLLQUYAU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074206
C=C(C)[C@@H]1Cc2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2C1	PC-id_928818,CoCoCo_668653,ZINC22_519151	316.418	JGBFYSBLLQUYAU-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074207
CC(C)OCc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	PC-id_33040892,EMOLS-id_25638939,MCULE-3752326263,CoCoCo_4164333,ZINC22_25769187	316.418	KJLGKLMFBFJXHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074208
CN[C@H](C(=O)NC1C(O)Cc2c1ccs2)Cc1ccccc1	PC-id_59511554,SCHEMBL13118004	316.418	FKCRQZXWUUHTEG-HLIUYOAVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074209
COc1ccccc1CCN(C(=O)c1sc2c(n1)CCC2)C	EMOLS-id_316912000	316.418	ZYHZUJWYZGHOED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074210
COc1ccccc1NC(=O)c1sc2c(c1)CN(C2)C(C)C	PC-id_53171000,EMOLS-id_32995552	316.418	RNDWKCJXRZFPDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074211
n1c2CCCc2sc1CCNC(=O)CCOc1ccccc1	PC-id_118788651,MCULE-3762399685,EMOLS-id_68927359,ZINC22_299800157	316.418	WQWHIECHDXRTEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074212
O=C(c1cc2c(s1)CCC2)N1CCN(Cc2ccco2)CC1	PC-id_45861171,CoCoCo_4395915,MCULE-9665362144,EMOLS-id_31889487,ZINC22_97527651	316.418	PZOZSXNXNPUYQC-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-074213
O=C(c1ccco1)N1CCC(CC1)NC1CCc2c1scc2	EMOLS-id_318585560	316.418	FGBMDSRTFXTQKY-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-074214
O=C(c1cocc1)N1CCC(CC1)NC1CCc2c1scc2	EMOLS-id_318496474	316.418	XVIIVRIQKKAJET-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-074215
OCCN(c1ccc(cc1)NC(=O)c1sc2c(c1)CCC2)C	PC-id_109909137	316.418	UFOMLZPPFDXQIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074216
s1c2CCCc2nc1NC(=O)CCc1c(OCC)cccc1	PC-id_33040095	316.418	MJJKICNQEADQQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074217
s1c2CCCc2nc1NC(=O)CCCOc1cc(ccc1)C	PC-id_26723175	316.418	RDLDZRIMMSMVDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074218
s1c2CCCc2nc1NC(=O)COc1cc(C(C)C)ccc1	PC-id_37344044	316.418	JDUAIIYVSUXWBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074219
s1c2CC(O)C(NC(=O)C(NC)Cc3ccccc3)c2cc1	PC-id_72311092	316.418	FKCRQZXWUUHTEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074220
OCc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977997	316.42	XXYPOVFMWFPPSF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074221
OCc1csc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978027	316.42	LGJPQOSUEPPALM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074222
OCc1scc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977995	316.42	LVTLRTYMWPCXDE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074223
OCc1sccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978050	316.42	GJHMSFYVCRFRHB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074224
Cc1cccc(CSCC(=O)NCc2nnc3n2CCC3)c1	EMOLS-id_31371041,PC-id_47018203,MCULE-4408822293,ZINC22_54888610	316.421	VDKFVHCYCSYMEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074225
Cc1cccc(NC(=O)CN(C)Cc2nc3c(s2)CCC3)n1	ZINC22_95986625,PC-id_75471906,EMOLS-id_48812809,MCULE-5754222865	316.421	VWJSVBFMLPIBEE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074226
CC1CC(C(=O)N1c1cnn(c1)C)NC1CCc2c1scc2	EMOLS-id_318508639	316.421	VVLPHSNSJGJXNV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074227
Cc1ccc(s1)CN1Cc2c(C1)[nH]nc2C(=O)N1CCCC1	PC-id_97461973	316.421	MGELKJXYXKRNFG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074228
Cc1ccc(S[C@@H](C)C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_54904502	316.421	OVEFFZGYFRNBPQ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074229
Cc1ccc(S[C@H](C)C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_54904506	316.421	OVEFFZGYFRNBPQ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074230
Cc1cnc(C2CCN(C(=O)c3cnn4c3CCC4)CC2)s1	PC-id_136546221,ZINC22_296678813,EMOLS-id_316885357,MCULE-8259240554	316.421	LFPZYULUIYAPAS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074231
Cc1csc(n1)C1(CCCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318542984	316.421	ROQPWDBYYIWSME-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074232
Cc1csc(n1)C1(CCCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318646366	316.421	KPSFDKQRJOMWSB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074233
Cc1csc(n1)C1(CCCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318510061	316.421	YUCFUVPHZLNBIZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074234
Cc1[nH]nc(n1)C1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_110877576	316.421	RZOLLLHAILKOJR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074235
CC(C)c1nccc(C(=O)NCCc2nc3c(s2)CCC3)n1	EMOLS-id_82715655,MCULE-9905316083,ZINC22_426485472,PC-id_119064448	316.421	ABBZQOXYAAPHOE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074236
C#CCCC1(CCC(=O)Nc2nc3c(s2)CCC3(C)C)N=N1	ZINC22_2325885343	316.421	MRNACTAZOALEPM-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-074237
C#CCCC1(CCC(=O)NCCc2nc3c(s2)CCC3)N=N1	ZINC22_2325886422	316.421	WUPPKBWPNRFOPV-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-074238
CC(C)N(Cc1cc2c(s1)CCC2)C(=O)c1nccnc1N	PC-id_75371706,ZINC22_95397295,EMOLS-id_48235458,MCULE-7207536810	316.421	RTMUWWDEACLJLJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074239
CCN(c1ccc(cn1)C(=O)Nc1sc2c(n1)CCC2)CC	EMOLS-id_48223081,MCULE-3180611269,PC-id_48654534	316.421	XQWGKCIZJNCLAT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074240
CC(Sc1ccc(C)cc1)C(=O)NCc1nnc2CCCn12	MCULE-4262013069,EMOLS-id_232865471	316.421	OVEFFZGYFRNBPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074241
Cn1cnnc1C1CCN(C(=O)c2cc3c(s2)CCC3)CC1	PC-id_32015489,EMOLS-id_35704904,ZINC22_24692225,MCULE-1500634818	316.421	VIQLBWOFQXXEJK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074242
Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_94180334,ZINC22_48324357	316.421	UNPNOPVFXOOREK-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074243
Cn1cnnc1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_94180335,ZINC22_48324358	316.421	UNPNOPVFXOOREK-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074244
Cn1nc(c2c1CN(C2)Cc1cscc1)C(=O)N1CCCC1	PC-id_97461999	316.421	AIRNPLBSHBIRPC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074245
Cn1ncc(c1)[C@@H]1CN(C[C@H]1N)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102146958	316.421	XIAHSIQYOIDPNN-QWHCGFSZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074246
Cn1nc(c(c1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C1CC1	EMOLS-id_102183525	316.421	KFQSFQACZFKDIW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-074247
Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1cccs1)C2	ZINC22_96187540,PC-id_97461998,EMOLS-id_44325371	316.421	QDGKQVFGVHCGBJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074248
CN(Cc1cccc(c1)NC(=O)N1Cc2c(C1)nc(s2)C)C	EMOLS-id_318807564	316.421	QFSHBMPOPBHBTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074249
O=C1C(CCCN1c1ccn(n1)C)NC1CCc2c1scc2	EMOLS-id_318726444	316.421	IYFHHLJGCOCETP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074250
O=C1C(CCCN1c1cnn(c1)C)NC1CCc2c1scc2	EMOLS-id_318377432	316.421	UOXDWCUTPZZJNJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074251
O=C1C(CCN1c1cc(nn1C)C)NC1CCc2c1scc2	MCULE-8434054963,EMOLS-id_318408895	316.421	ICPQRJHZPYQGRX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074252
O=C(c1ccc(cn1)N(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318581580	316.421	FLXVTJFSUOFPCJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074253
O=C(c1cccnc1N(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318615726	316.421	VNUHRINNBPDLTH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074254
O=C(c1ccc(nc1)N(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318733461	316.421	PNIQVRAKEQXSCQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074255
O=C(c1ccnc(c1)N(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318605413	316.421	XCOZGBDFSUICCE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074256
O=C(c1cc(nn1C)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318437774	316.421	STGKLZGUKPCVHA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-074257
O=C(c1cn2c(n1)CCC2)N1CCC(CC1)Cc1nccs1	EMOLS-id_320307243,MCULE-6707826865	316.421	PTLFNZGFMRHZAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074258
O=C(c1cnc(nc1)C(C)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318666531	316.421	BNRDWWXVQQDCSI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074259
O=C(c1cnn2c1CCC2)N1CCC(CC1)Cc1nccs1	EMOLS-id_316640890	316.421	UFNLFNBFSYWSPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074260
O=C(c1cnn(c1C1CC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180234	316.421	LYCDQTOZCCJHSJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-074261
O=C(c1nccc(c1)N(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318378886	316.421	GJYYCNDAOYWXBC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074262
O=C(c1n(C)ncc1C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318670419	316.421	KTISKFNAHNRMLF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-074263
O=C(c1nn(c(c1)C1CC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318501556	316.421	IQJPVVMFIASUIC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-074264
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1cccs1	EMOLS-id_98357050	316.421	LMXARRYYHPAENH-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-074265
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)c1nncn1C	EMOLS-id_31936538,MCULE-4530003026,PC-id_51079849	316.421	UNPNOPVFXOOREK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074266
O=C(c1sc2c(c1)CCC2)N1CCCC(CC1)n1ccnn1	EMOLS-id_319813862	316.421	DAQLRSZAZBBVBF-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-074267
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)Cc1[nH]ccn1	EMOLS-id_99042811	316.421	WTYMWMUEJAWUCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074268
O=C(c1scnc1C1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_317979852	316.421	USPYGCBRFVUVAG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074269
O=C([C@@H]1C[C@H]1c1cncn1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318579405	316.421	VLXSKPXNPCYLKQ-NXEZZACHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-074270
O=C([C@@H]1C[C@H]1c1cnn(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183579	316.421	MJTUINNPSYAJFT-WDEREUQCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-074271
O=C(N1Cc2c(C1)cn[nH]2)Cc1scc(n1)C1CCCCC1	EMOLS-id_319515791	316.421	HBBKFWCNHOKBRA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074272
O=C(N1CCCC1c1cccs1)NC1CC(n2c1ncc2)C	EMOLS-id_101436576	316.421	QNWQUUFSFHQDED-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074273
O=C(N1CCCC1c1cscc1)NC1CC(n2c1ncc2)C	EMOLS-id_101436630	316.421	OLVNOUQCNAHRMS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074274
O=C(N1CCn2c1ncc2)Cc1scc(n1)C1CCCCC1	EMOLS-id_318988662	316.421	PJOSIINCUGQHSR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074275
O=C(N1CCNCC1c1nccn1C)c1sc2c(c1)CCC2	MCULE-8061078334,EMOLS-id_302852520,PC-id_120878364	316.421	GLLCURKVKPEHOC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074276
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)Nc1ccccc1	PC-id_5064925	316.421	ICVMIMAKTIYMBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074277
s1c2CCCc2nc1NS(=O)(=O)c1sc(nc1C)N	PC-id_63946199	316.423	JNVSAUPMMHMQPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074278
O=C(c1occ2c1CCC2)NCC1CCCCC1N1CCCC1	EMOLS-id_319843350	316.438	KEHULJJQWRAJDH-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-074279
CC1OCCC(C1)CS(=O)(=O)N1Cc2c(C1)nc(s2)C	MCULE-7435935977,EMOLS-id_320194354	316.439	JXHSLNMXOAICHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074280
Cc1sc2c(n1)CN(C2)S(=O)(=O)CC1OCCC1(C)C	EMOLS-id_318925670	316.439	SLMIHMMJYXKMFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074281
CCN(CCNC(=O)c1sc2c(c1)CS(=O)(=O)C2)CC	PC-id_122176114,ChEMBL-DNDi_CHEMBLC771-0074	316.439	VIPLPTHSDAYRBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074282
CCOC(=O)C1CCc2c1nc(s2)NCCCS(=O)C	PC-id_116211736	316.439	QDJZUDYPYSWEPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074283
CCOC(=O)C1CCc2c1nc(s2)NCC(S(=O)C)C	PC-id_116183111	316.439	FFJNPZJFCOKMDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074284
CCOC(=O)C1CCc2c1nc(s2)NC(CS(=O)C)C	PC-id_116200461	316.439	BBIQHZLDBXNGLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074285
CCOC(=O)C1CCc2c1nc(s2)NCCS(=O)CC	PC-id_116262552	316.439	UTYWWRLIXQUGJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074286
s1c2c(CCC2)cc1CNC(=O)C(N)CCS(=O)(=O)C	PC-id_61208958	316.439	HXPJPCQLBJBOPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074287
CN(CCCNC(=O)c1cc2c(s1)CCC2)S(=O)(=O)C	EMOLS-id_33305739,MCULE-9641144515,ZINC22_48777633,PC-id_47182898	316.44	CWWNXGBLKPHSCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074288
CC1CCC(CC1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_99258652	316.441	SZBIQCMEAZUHTK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074289
CC1CCC(CC1)N(C(=O)NC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_101577084	316.441	WHEGVPCXJIFPJX-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074290
CC(c1cc2n(n1)CCC2)NC1CCN(C1=O)C1CCCCC1	MCULE-1094910335,EMOLS-id_318105401	316.441	ZTEGQXHUACHATI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074291
CC(C1CC(CN1C(=O)c1cn2c(n1)CCC2)N1CCCC1)C	EMOLS-id_319974073,MCULE-2545858451	316.441	DGYBFNQKKREPJG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074292
CC(C1CC(CN1C(=O)c1cnn2c1CCC2)N1CCCC1)C	EMOLS-id_319148131	316.441	MEFDGSYBIIGPGG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074293
CC(C1CC(CN1C(=O)c1n[nH]c2c1CCC2)N1CCCC1)C	EMOLS-id_318949543	316.441	GTBINZGPEZBFAQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074294
CC(C1CCCN(C1)C1CCC1)NC(=O)c1cc2n(n1)CCC2	EMOLS-id_101348238	316.441	QPQAPRUIMHHBFJ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-074295
CC(C1CCCN(C1)C1CCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_101347494	316.441	DABZVFPYSIZOAD-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-074296
CC(C1CCCN(C1)C1CCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99158068	316.441	HRZUVOJGBXLDCV-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-074297
CCc1nc([C@@H](C#N)C(=O)c2cc3c(s2)CCC3)sc1C	PC-id_96996364,ZINC22_83817783	316.441	CHLVCVGUIBKULV-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-074298
CCc1nc([C@H](C#N)C(=O)c2cc3c(s2)CCC3)sc1C	ZINC22_83817785,PC-id_96996365	316.441	CHLVCVGUIBKULV-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074299
C=CCC1N(CCCC1(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574891	316.441	KACFRKGKLLQHRM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074300
CC(C)n1nc(CN2CCCCC2)c2c1CN(C(=O)C1CC1)C2	ZINC22_2055718371,EMOLS-id_313736149	316.441	KQIOQTPZMYOZEY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074301
N#CC(C(=O)c1sc2c(c1)CCC2)c1sc(c(n1)CC)C	MCULE-6715693874,EMOLS-id_44543010,PC-id_71888724	316.441	CHLVCVGUIBKULV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074302
O=C1C(CCCN1C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101405305	316.441	KFSOWWTYLKTVRZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074303
O=C1C(CCCN1C1CCCCC1)NCc1cnc2n1CCC2	MCULE-1283457214,EMOLS-id_318108738	316.441	SCJDVPCPBBSGHW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074304
O=C(c1cc2n(n1)CCC2)NC1CCN(CC1)C1CCCCC1	EMOLS-id_101217919	316.441	VMLOYXKQUSQLNB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074305
O=C(c1cc2n(n1)CCC2)NCC1CCCN1C1CCCCC1	EMOLS-id_101272451,MCULE-5129526572	316.441	NZKWLXUSBCNBKH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074306
O=C(C1CCCCN1C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319860536	316.441	JYMCXDKWYLVATC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074307
O=C(C1CCCCN1C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318964498	316.441	FGLFAOQGAPJOBA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074308
O=C(C1CCN(C1)C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319090868	316.441	HUANTTJWGHMAEB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074309
O=C(c1cnn2c1CCC2)NC1CCN(CC1)C1CCCCC1	EMOLS-id_101217925	316.441	DPSLOHMDVIWDCO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074310
O=C(c1cnn2c1CCC2)NC1CCN(CC1)CC1CCCC1	EMOLS-id_101195179	316.441	ILTRQZYDUCDTAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074311
O=C(c1cnn2c1CCC2)NCC1CCCN1C1CCCCC1	EMOLS-id_101273957	316.441	FQVCIBCXQZRBDQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074312
O=C(c1nn2c(c1)CCC2)NC1CCN(CC1)CC1CCCC1	EMOLS-id_101195185	316.441	IHVVAGOLBSYYJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074313
O=C(c1nn2c(c1)CCC2)NCC1CCCCC1N1CCCC1	EMOLS-id_318768722	316.441	VOXMTRKPYFMOQK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074314
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)CC1CCCCC1	EMOLS-id_98493293	316.441	VDZYWNCNGLKXCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074315
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1C(=S)N)C	PC-id_107805552	316.441	RILFMFTXNUVPLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074316
O=C(N1CCCC1C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101436621	316.441	VZAIZHYQYOJFKO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074317
O=C(N1CCC(C1)NC(c1nn2c(c1)CCC2)C)C1CCCC1	MCULE-4035237970,EMOLS-id_318132881	316.441	UHFFVOHYOHXNRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074318
O=C(N(C1CC1)CC1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101581062	316.441	MNOKJNROARFWIT-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074319
O=C(N(C1CCCCC1)CC1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101579352	316.441	MJPZSHYLSNZEDZ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074320
O=C(NC[C@@H]1CCCN1C1CCCCC1)c1cc2n(n1)CCC2	ZINC22_333433582	316.441	NZKWLXUSBCNBKH-INIZCTEOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074321
O=C(NC[C@H]1CCCN1C1CCCCC1)c1cc2n(n1)CCC2	ZINC22_333433587	316.441	NZKWLXUSBCNBKH-MRXNPFEDSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074322
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)CC(=S)N	PC-id_62301737	316.441	GLMHFOIFHKJEGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074323
s1c2CCCc2cc1C(=O)Nc1c(ccc(c1)C(=S)N)C	PC-id_62103536	316.441	OOZYRYATFOXONV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074324
s1c2CCCc2cc1C(=O)N(c1cc(ccc1)C(=S)N)C	PC-id_62970807	316.441	ZBVVFWPMKFTYPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074325
s1c2CCCc2cc1C(=O)N(c1ccc(cc1)C(=S)N)C	PC-id_62971014	316.441	UAXDFLXJZUVOQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074326
s1c2CCCc2cc1C(=O)N(c1c(cccc1)C(=S)N)C	PC-id_80414366	316.441	NPKFPXWVBDZQDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074327
s1c2CCCc2cc1C(=O)NC(c1ccccc1)C(=S)N	PC-id_61121756	316.441	OBDKIZGHIWJUQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074328
s1c2CCCc2cc1C(=O)NCc1ccc(cc1)C(=S)N	PC-id_62309833	316.441	RZMPNPYTODALDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074329
s1c2CCCc2cc1C(=O)NCc1cc(ccc1)C(=S)N	PC-id_62311235	316.441	LUCHDYNKMDIACC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074330
s1c2CCCc2cc1C(=O)NCc1scc(c1)C#CCN	PC-id_64305168	316.441	JEPLLQIMKBHQDF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074331
s1c2CCCc2cc1C(=O)NCc1sc(cc1)C#CCN	PC-id_64305380	316.441	PWHZGRSXKSJAOG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074332
s1c2CCCc2cc1C(=O)NCc1sccc1C#CCN	PC-id_80481243	316.441	IQYLOYKGEZQISG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074333
s1c2CCCc2cc1C(=O)NN=Cc1ccc(SC)cc1	PC-id_85015551	316.441	PKWLQSRWBFKADV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074334
NCC1CCCCN1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053374	316.443	IKWMKCDTGJJBHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074335
NCC1CCCN(C1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053333	316.443	KPSQWXUHMGNZJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074336
NCC1CCN(CC1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053320	316.443	TYLRZAFPCIHKCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074337
O=S(=O)(c1cnc2n1CCC2)NCCN1CCSCC1	EMOLS-id_100205365	316.443	GCWFUHIATUWKFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074338
S(=O)(=O)(Nc1sc2CCCc2n1)CCN1CCNCC1	PC-id_61548813	316.443	QTYTWUXWVUYTAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074339
CC/N=C(/NCc1nnc2n1CCC2)NCC(C1CC1)C1CC1	PC-id_84585187,ZINC22_73400820	316.444	HBCKBAJVZOPTDJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074340
CCNC(=NCc1nnc2n1CCC2)NCCC1=CCCCC1	PC-id_111020257	316.444	PJXMQZODWZXOOB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074341
CCCCCC(C1(Sc2c(C1F)csc2)C(=O)O)CC	SCHEMBL15194080,PC-id_89755407	316.454	AIBQGZRKBYCYHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074342
CCCCC(CC)COC(=O)c1c(c2c(s1)CSC2)F	PC-id_86692650,SCHEMBL15194630	316.454	RNEUYNZAZNAOIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074343
CCCCCCCCOC(=O)c1sc2c(c1F)CSC2	PC-id_118258907,SCHEMBL16938989	316.454	OPRCJPNVJHTOJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074344
Cc1ccc(O[C@@H](C)CN[C@@H](C)c2nc3c(s2)CCC3)cc1	ZINC22_135028469,PC-id_99636938	316.461	GMEWKOLCUYSVQV-KBPBESRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074345
Cc1ccc(O[C@H](C)CN[C@@H](C)c2nc3c(s2)CCC3)cc1	ZINC22_135028490,PC-id_99636939	316.461	GMEWKOLCUYSVQV-KGLIPLIRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074346
Cc1ccc(O[C@@H](C)CN[C@H](C)c2nc3c(s2)CCC3)cc1	ZINC22_135028512,PC-id_99636940	316.461	GMEWKOLCUYSVQV-UONOGXRCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074347
Cc1ccc(O[C@H](C)CN[C@H](C)c2nc3c(s2)CCC3)cc1	ZINC22_135028530,PC-id_99636941	316.461	GMEWKOLCUYSVQV-ZIAGYGMSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074348
CCc1ccc(cc1)C(NC(c1sc2c(n1)CCC2)C)CO	PC-id_110017322	316.461	KJDSWLWREONOBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074349
C/C=C(/c1c(C)sc2c1CCC2)N=CC(=C)NC(=O)C(C)C	PC-id_144274663	316.461	RREBSKSDUJUQPJ-IJVHWFCQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074350
CC(CC(c1ccccc1)CNCc1sc2c(n1)CCC2)O	PC-id_109948712	316.461	TYLSOXUMMVHVCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074351
CC(CN(Cc1sc2c(n1)CCC2)Cc1ccccc1)(O)C	PC-id_109975909	316.461	AYMLCJYUMGGIPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074352
C/C=Nc1sc2c(c1C(=C)NC1CCC(C1)C(=O)C)CCC2	SCHEMBL19523754	316.461	FMQNXQBTAZZMEU-PVOVUMCXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074353
CC(NC(c1sc2c(n1)CCC2)C)CC(c1ccccc1)O	PC-id_109908807	316.461	ICIHLXXQGPFKPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074354
CCN(CC(c1ccc(cc1)C)O)Cc1sc2c(n1)CCC2	PC-id_109975108	316.461	CTIFQYURJZPNJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074355
CC(Oc1ccc(cc1)C)CNC(c1sc2c(n1)CCC2)C	MCULE-3488408089,EMOLS-id_53771518,PC-id_119033643	316.461	GMEWKOLCUYSVQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074356
OCCC(c1ccccc1)CNC(c1sc2c(n1)CCC2)C	PC-id_110017282	316.461	GIJLZGMAMLZBHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074357
OCCCC(c1ccccc1)NC(c1sc2c(n1)CCC2)C	PC-id_109908783	316.461	RIYWEIBXOBWJBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074358
CS/C=C/C(C(O)(C)C)(c1[n+](SC)nc2n1CCC2)O	PC-id_71231401,SCHEMBL14646643	316.463	WLUPCJIFHPRAJY-VQHVLOKHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074359
OC(=O)C1CCc2c1nc(s2)NCC1CSCCS1	PC-id_116220946	316.463	QWQZCJQYFQSFIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074360
S(n1nc2[n+](c1C(O)(C(O)(C)C)C=CSC)CCC2)C	PC-id_78042648	316.463	WLUPCJIFHPRAJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074361
Cn1ccnc1CC1CCCN(C1)Cc1nc2c(s1)CCC2	EMOLS-id_49926768,PC-id_86785810,MCULE-1927606120	316.464	GJYZAZFFKAOFCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074362
Cn1ccnc1C[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1	ZINC22_97236843,PC-id_97859457	316.464	GJYZAZFFKAOFCP-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074363
Cn1ccnc1C[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1	ZINC22_97236844,PC-id_97859458	316.464	GJYZAZFFKAOFCP-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074364
Cn1nccc1C1CCCC(C1)NCc1sc2c(n1)CCC2	EMOLS-id_318603597,MCULE-4196585428	316.464	OBUFKNGYFINRQH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074365
CC(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C	SCHEMBL14130713,PC-id_59677757	316.483	VICXGQISJZOXIZ-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074366
S1(=O)(=O)N(CC(NC(C)C)C(C)(C)C)Cc2sccc12	PC-id_72355662	316.483	VICXGQISJZOXIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074367
CC1CC(c2n1ccn2)NCC1CCCN1CC1CCCCC1	EMOLS-id_318159955	316.484	WNGYYEYJIVTNOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074368
CC1CCCC(C1)N1CCC(CC1)NC1CC(n2c1ncc2)C	MCULE-6606884470,EMOLS-id_317987328	316.484	DDQGEIUBLIVHFF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074369
CC1CCN(CC1)C1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318090556,MCULE-2524780490	316.484	HSPCATDQPCYCBL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074370
CC1CCN(CC1)C1CCC(CC1)NCc1cnc2n1CCC2	MCULE-3120055338,EMOLS-id_318238907	316.484	QJFRWVPFCGRRCX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074371
CC(c1cc2n(n1)CCC2)NC1CCN(CC1)C1CCCCC1	MCULE-5783559283,EMOLS-id_318371395	316.484	BQENRZRELUEAHJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074372
CC(C1CCCN(C1)C1CCC1)NC(c1cc2n(n1)CCC2)C	EMOLS-id_317989457	316.484	DPQOTDOXYDPCEQ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-074373
s1c(nc2c1CCC2)C(NC1CC1)c1ccc(SC)cc1	PC-id_61333126	316.484	WZBMSUNPEUYMOR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074374
c1(CCl)c2CSCc2sc1I	EMOLS-id_331059245,MCULE-8380748524	316.61	SQEGENFVBQOTQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074375
O=C(c1ncc(C(F)(F)F)cc1Cl)N1CCn2nccc12	MCULE-3656628223,EMOLS-id_313185102,ZINC22_935881921,PC-id_136565176	316.666	CMNZUCBIJFNXPD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074376
N#Cc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1Cl	PC-id_52593955,EMOLS-id_36633688,MCULE-8338331580,ZINC22_58859866	316.746	UYUCFJYIHKLVOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074377
Clc1ccc(C(=O)c2n3CC(C(=O)c3cc2)CN(C)C)cc1	SCHEMBL8829587,PC-id_54189099	316.782	PHFWEANTFPICQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074378
Clc1c(C2C(C2)C(=O)NCc2n3CCCc3nn2)cccc1	MCULE-5957865304,EMOLS-id_45634172,PC-id_71943547	316.785	DGHYOZPFGOUGMQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074379
Clc1cc(C2C(C2)C(=O)NCc2n3CCCc3nn2)ccc1	MCULE-5356445826,EMOLS-id_45644425,PC-id_49193572	316.785	UMADCLJFXVKPFA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074380
Clc1ccc(C2C(C2)C(=O)NCc2n3CCCc3nn2)cc1	MCULE-6399701767,EMOLS-id_49004788,PC-id_72021082	316.785	MQTLVAWSUHAXBJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074381
Clc1ccc(cc1)C1(CC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318642915	316.785	ZXTJZGQTAMJULF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074382
Clc1cccc(c1)C1(CC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318678225	316.785	HQLRGLYHYIIHBO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074383
Clc1cccc(c1)/C=CC(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4880095	316.785	MAXFCLJVQFIIRR-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074384
Clc1cccc(c1)C=CC(=O)N(Cc1nnc2n1CCC2)C	MCULE-1917181917,PC-id_49651477,EMOLS-id_31936706	316.785	MAXFCLJVQFIIRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074385
Clc1ccc(cc1)N1CCC(C1=O)NC1CCn2c1ncc2	EMOLS-id_318175200	316.785	JCTAEVASMNUQPW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074386
CN(Cc1nnc2n1CCC2)C(=O)/C=C/c1cccc(Cl)c1	PC-id_45819261,CoCoCo_4880094,ZINC22_40523033	316.785	MAXFCLJVQFIIRR-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074387
O=C1C(CCN1c1ccccc1Cl)NC1CCn2c1ncc2	EMOLS-id_318221363	316.785	WDDNCUIDUHKLKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074388
O=C1CCCN1c1ccc(cc1Cl)NC1CCn2c1ncc2	EMOLS-id_318648211	316.785	HXBAVXXUHGJJSW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074389
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1ccccc1Cl	PC-id_95402583,ZINC22_71416949	316.785	DGHYOZPFGOUGMQ-RYUDHWBXSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074390
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1ccccc1Cl	PC-id_95402584,ZINC22_71416950	316.785	DGHYOZPFGOUGMQ-NEPJUHHUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074391
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1ccccc1Cl	PC-id_95402586,ZINC22_71416952	316.785	DGHYOZPFGOUGMQ-VXGBXAGGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074392
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1ccccc1Cl	ZINC22_71416951,PC-id_95402585	316.785	DGHYOZPFGOUGMQ-NWDGAFQWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074393
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1cccc(Cl)c1	PC-id_97077112,ZINC22_89774595	316.785	UMADCLJFXVKPFA-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074394
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1cccc(Cl)c1	ZINC22_64487342,PC-id_95050893	316.785	UMADCLJFXVKPFA-STQMWFEESA-N	00100010100000110001100010000000000000000000000000000000	25-01-074395
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1cccc(Cl)c1	ZINC22_89774594,PC-id_97077111	316.785	UMADCLJFXVKPFA-OLZOCXBDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074396
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1cccc(Cl)c1	ZINC22_89774596,PC-id_97077113	316.785	UMADCLJFXVKPFA-CHWSQXEVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074397
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1ccc(Cl)cc1	PC-id_97558428,ZINC22_96404706	316.785	MQTLVAWSUHAXBJ-STQMWFEESA-N	00100010100000110001100010000000000000000000000000000000	25-01-074398
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1ccc(Cl)cc1	PC-id_97558429,ZINC22_96404707	316.785	MQTLVAWSUHAXBJ-OLZOCXBDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074399
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1ccc(Cl)cc1	PC-id_97558430,ZINC22_96404708	316.785	MQTLVAWSUHAXBJ-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074400
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1ccc(Cl)cc1	PC-id_97558431,ZINC22_96404709	316.785	MQTLVAWSUHAXBJ-CHWSQXEVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074401
Clc1ncc(S(=O)(=O)Nc2sc3CCCc3n2)cn1	PC-id_61511779	316.787	UHVKROKFZFQRNR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074402
c12CN(Cc1sc(Cl)c2C(=O)NC)C(=O)OC(C)(C)C	EMOLS-id_331065125,MCULE-5846773506	316.804	HUHSUNZMBMSSNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074403
ClCCNC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_46202159	316.804	YJACJCKQWDGHNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074404
c1(NC(=O)c2ccc(cc2Cl)C)sc2c(CCC2)c1C#N	SPECS-id_AN-153/I224052,MCULE-6252898366,ZINC22_514038,EMOLS-id_1452982,PC-id_924835,CoCoCo_322430,BAS-04435950	316.805	IGNNGNCKXKIJLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074405
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	SPECS-id_AK-968/15610954,ChEMBL-DNDi_CHEMBL6974658,TIMTEC428589,ZINC22_309845,EMOLS-id_1509586,PC-id_802258,SPECS-id_AN-153/I194067,BAS-08837574,CoCoCo_377574,MCULE-9598783339	316.805	RLYCQRJMLNOOSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074406
Cc1ccc(cc1Cl)C(=O)Nc1sc2CCCc2c1C#N	PC-id_924819,EMOLS-id_327961530,MCULE-5870596814	316.805	IGVGYIYJVIPZBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074407
Cc1c(Cl)cccc1C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328117053,MCULE-5325317281	316.805	CRQPOHICZRKDLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074408
Clc1ccc(C(=O)c2n3CCC(c3cc2SC)C#N)cc1	SCHEMBL10814218,PC-id_13687521	316.805	PAIPGPKTPMNDAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074409
Clc1sc2CCC(Nc3ccc(cc3)c3ocnc3)c2c1	PC-id_81234252	316.805	HTFWKMSUQNVHJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074410
Clc1sc2CCC(Nc3cc(ccc3)c3ocnc3)c2c1	PC-id_81246410	316.805	RJDDRSYDMVXIAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074411
ClCc1ccc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_43167910	316.805	ZDCBNAMPORXUHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074412
ClCc1cc(C(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_43346540	316.805	ZIGOOELJIPWNDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074413
ClC(C(=O)Nc1sc2CCCc2c1C#N)c1ccccc1	PC-id_43236533	316.805	UAVIFLQYUSPVOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074414
Clc1sc2CCC(Nc3ccc(n4nccn4)cc3)c2c1	PC-id_81233889	316.809	XZNMIOOIFWNZSM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074415
Clc1sc2CCC(Nc3ccc(n4ncnc4)cc3)c2c1	PC-id_81234249	316.809	VLMBBDMKUWEVFI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074416
Clc1sc2CCC(Nc3ccc(nc3)n3ccnc3)c2c1	PC-id_81234393	316.809	HNRHVQYKCJNKJY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-074417
Clc1sc2CCC(Nc3ccc(nc3)n3nccc3)c2c1	PC-id_81233745	316.809	VSGYVZVHRBHMLX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-074418
Clc1sc2CCC(Nc3cc(n4cnnc4)ccc3)c2c1	PC-id_81234661	316.809	RXKLSUJSTNUPMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074419
Clc1sc2CCC(Nc3c(n4nccc4)nccc3)c2c1	PC-id_81234266	316.809	OSWCMINGCOEEHB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-074420
Clc1sc2CCC(Nc3c(n4ncnc4)cccc3)c2c1	PC-id_81234395	316.809	ZBTZIPUDRJYNLH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074421
Clc1sc2CCC(Nc3c(n4nncc4)cccc3)c2c1	PC-id_81234217	316.809	HUDWRELDFOGVAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074422
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)OCC1CC1	MCULE-9908820852,EMOLS-id_330974451	316.825	QJUDTPLCMGZBRD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074423
CC1CCc2c1c(CCl)nn2Cc1cccc(OC2CC2)c1	EMOLS-id_331023626,MCULE-3905605693	316.825	FBFOMVOPTVDWKE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074424
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(CCl)c12	MCULE-9903023405,EMOLS-id_331007668	316.825	WMEUWSFCWVDIFU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074425
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(Cl)c12	EMOLS-id_331020975,MCULE-6915503950	316.825	VZAWFAYNYSETIY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074426
CC(Cl)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213363,MCULE-6086070202	316.825	OLKBLNRJORSWEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074427
CC1CC(c2n1ncn2)NC1(CCC1)Cc1ccc(cc1)Cl	MCULE-8705082806,EMOLS-id_318659892	316.828	YBCIKBQTDPIGAR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-074428
CC1CC(c2n1ncn2)NCC1(CCC1)c1ccc(cc1)Cl	MCULE-4538991128,EMOLS-id_318724918	316.828	GDFXNOQPWBASQR-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074429
CC(c1nnc2n1CCC2)NC1CC(C1)c1ccccc1Cl	EMOLS-id_318457081,MCULE-1371731978	316.828	OXMOHZNPUPNAAC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074430
Clc1cccc(c1)C1(CCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_318441606,MCULE-9316726593	316.828	TWVCFMJNLWFNJZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074431
Clc1cccc(c1)C1CNCCN1Cc1nn2c(c1)CCC2	EMOLS-id_318158955	316.828	FEZGRKVDLMDMEF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-074432
Clc1ccccc1C1CNCCN1Cc1nn2c(c1)CCC2	EMOLS-id_318217397	316.828	CVOLZPHHMMTLDA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-074433
Clc1cccc(c1CN1Cc2c(C1)cnn2C)N1CCCC1	EMOLS-id_318061505	316.828	AJFSYZWAUKYLNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074434
Clc1ccc(cc1)N1CCC(C1)CNC1CCn2c1ncc2	EMOLS-id_318298686,MCULE-3953654687	316.828	MOIUXTSMZOJRAI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074435
Clc1ccccc1N1CCC(C1)CNC1CCn2c1ncc2	MCULE-4379258878,EMOLS-id_318107976	316.828	HDOSAKNLFAYUQC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074436
Clc1ccc(cc1)N1CCC(C1)NC1CC(n2c1ncc2)C	MCULE-1802955123,EMOLS-id_318359863	316.828	GZDVDASLRMPRCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074437
Clc1cccc(c1)N1CCC(C1)NC1CC(n2c1ncc2)C	MCULE-4046357133,EMOLS-id_318102164	316.828	VOVAWFNIWZIDLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074438
Clc1cccc(c1)N1CCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318211328,MCULE-2487705858	316.828	HHTUUECZXUYYSC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074439
Clc1ccc(cc1)N1CCC(C1)NCc1cnc2n1CCC2	MCULE-9766773516,EMOLS-id_318387468	316.828	KSEPKLIDXKQCIE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074440
Clc1ccccc1N1CCCC(C1)NC1CCn2c1ncc2	MCULE-7006984125,EMOLS-id_318035512	316.828	FRDQEIMWAMMZMK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-074441
O=C(OC(C)(C)C)NCCNC1CCc2c1cc(s2)Cl	PC-id_107241366	316.847	NRSDJCFNOLODRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074442
Clc1sc2CCC(Nc3ccc(C(C)(C)C#N)cc3)c2c1	PC-id_81233575	316.848	PJBWDNJEXMIYNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074443
CC1CCc2c1c(CCl)nn2Cc1ccc(cc1)C(C)(C)C	MCULE-9195069059,EMOLS-id_331022344	316.868	VCWRRELOMZURSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074444
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(CCl)c12	MCULE-4990884369,EMOLS-id_331006386	316.868	JZFDFYUKSGJNIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074445
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1CCl	MCULE-3429603512,EMOLS-id_331008443	316.868	AVWNIENKURLPLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074446
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1CCl	MCULE-6624659808,EMOLS-id_331008699	316.868	IVEZEGFYRQQNNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074447
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006142,MCULE-8430912253	316.868	WEDBLJFGTLCNGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074448
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008955,MCULE-9306046484	316.868	BOGIRSYVNMYJKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074449
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CCl	MCULE-3964790891,EMOLS-id_331009211	316.868	YYSVOSQJJTWGLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074450
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1	MCULE-7725970670,EMOLS-id_331006130	316.868	ASMGSLASYGDLBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074451
CC(C)Cc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1	MCULE-3358513241,EMOLS-id_331026183	316.868	ATCPIDOODAMMNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074452
C1C2=C(C(=N1)I)SC(=C2)C(F)(F)F	PC-id_161852013	316.898	BUTSITACVFJFKK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-074453
CC1(C2=C(C=C(S2)Br)C(=O)N1CC(=O)OC)C	PC-id_155162047	316.972	JBLKGUZERSIKMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074454
CN1CCN(CC1)C(=O)C2=NC3=C(C2)SC(=C3Cl)Cl	PC-id_153783002	317.016	VCTXIVKIAFITJP-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-074455
CC1(CN2C(=NSC2=NC3=C(C(=C(C=C3)F)F)F)S1)C	PC-id_164187501	317.027	XQLURJYRDRGDEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074456
c12cc(nn1CCN2CC(F)(F)F)I	EMOLS-id_320440344,MCULE-3445718424	317.05	CTZCPQIZBOTROJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074457
Ic1n[nH]c2c1CN(C2)CC(F)(F)F	PC-id_117614475,SCHEMBL16127154	317.05	SQOAQGOUGMDXFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074458
CCOC1=C(SC2=C1C(=O)N(C2)CC3=CC=CC=C3)C(=O)O	PC-id_162352639	317.072	DYGBBJOHWVAAHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074459
CS(=O)C1=CN2CCC(C2=C1)(C(=O)C3=CC=CC=C3)C(=O)O	PC-id_153808283	317.072	BGAYAFXQFQWVFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074460
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164872107	317.076	GZEIPKWCCQRJRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074461
CC1=CN(N=C1S(=O)(=O)N2C=C3CNCC3=N2)CC(F)F	PC-id_164931967	317.076	OTYOQIACIYTQPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074462
CC1(CC2=CC(=NN2C1)/C=C/3C4N(C3=O)C(=CS4)C(=O)O)C	PC-id_153892111	317.083	HUGCXBGSKYVVDN-WMZJFQQLSA-N	00001011100000000001001010000000000000000000000000000000	25-01-074463
CC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=C(N3C)SC	PC-id_154209318	317.097	ATNDSNXDCWPHGS-UHFFFAOYSA-M	00000010110000000000000010000000000000000000000000000000	25-01-074464
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3=CC=C(C=C3)F)C	PC-id_154124676	317.106	GEGMWJXLQHKUCD-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-074465
COC1(CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)O)OC	PC-id_149253351	317.126	KHRPOPOOTYPDEP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074466
CN([C@H]1CCCC[C@H]1C(F)(F)F)C(=O)C2=NN3CCOC3=C2	PC-id_154778615	317.135	URSOADWPEQWHHN-KOLCDFICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074467
C1CC2=NN=C(N2C1)CN3CCN(CC3)C4=CC=CC=C4Cl	EMOLS-id_324595507,ZINC22_1888863621,MCULE-9735421972,PC-id_154828891	317.141	CGOQIBWPAPTECW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-074468
C1CC2=NN=C(N2C1)CN3CCN(CC3)C4=CC(=CC=C4)Cl	PC-id_154828892,EMOLS-id_324591668,MCULE-1709125653,ZINC22_1888863624	317.141	CMHBOQRQEZHZGK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-074469
CNC(=O)C1(CCN(C1)CC2CCC3=NC=NN23)C(F)(F)F	EMOLS-id_317353480,PC-id_154769153,MCULE-2308322846	317.146	FPPJIMRIILKYIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074470
N#Cc1cccc(c1Br)NCc1cnc2n1CCC2	EMOLS-id_318540616	317.184	CKZGRYCGAVZSLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074471
N#Cc1cc(NCc2cnc3n2CCC3)ccc1Br	EMOLS-id_317946963	317.184	APXNHXZCXVZVAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074472
C[C@]1(C(=O)Nc2nc3n(c2C#N)CCS3)CC1(Cl)Cl	PC-id_96094625,ZINC22_76017120	317.194	HZMCXBBSVBVTHD-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074473
C[C@@]1(C(=O)Nc2nc3n(c2C#N)CCS3)CC1(Cl)Cl	ZINC22_76017123,PC-id_96094626	317.194	HZMCXBBSVBVTHD-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-074474
ClC1(Cl)C(C1)(C)C(=O)Nc1nc2SCCn2c1C#N	MCULE-4345399413,PC-id_60323699,EMOLS-id_43377857	317.194	HZMCXBBSVBVTHD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074475
BrCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_315060092,PC-id_115571590	317.202	XQPJRYBDSBQBMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074476
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Br	PC-id_107903226	317.202	WECZXBKFWJTJIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074477
CC1CN(CC(O1)C)C(=C)C2=NN(C3=C2CCC3)CC4(CC4)O	PC-id_153575390	317.21	MPEBUNZDMVJBJY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-074478
CC(c1nnc2n1CCC2)NCc1csc(c1Cl)Cl	EMOLS-id_318180144,MCULE-5823567981	317.237	XEADJTBINLRSDA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074479
Clc1nc(c(n1C)CNCc1sc2c(n1)CCC2)Cl	MCULE-6536221529,EMOLS-id_318603676	317.237	BNVPYNGBOGSHOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074480
Clc1sc(c(c1)C(NCc1nnc2n1CCC2)C)Cl	MCULE-5496309120,EMOLS-id_318542408	317.237	FRNLZASSLPMXPV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074481
C[C@@H](C(=O)N(C)C)NC1CCc2c1cc(s2)Br	EMOLS-id_318296985	317.245	BADCQMSULPNMDR-JAVCKPHESA-N	00000010100000000000000010000000000000000000000000000000	25-01-074482
C[C@H](C(=O)N(C)C)NC1CCc2c1cc(s2)Br	MCULE-1513091115,EMOLS-id_318173935	317.245	BADCQMSULPNMDR-YOXFSPIKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074483
CN(C(=O)CNC1CCc2c1cc(s2)Br)CC	MCULE-1581047090,EMOLS-id_317951776	317.245	MNZAOJJTRWILCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074484
O=C(O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1C(F)(F)F	MCULE-1137110590,ZINC22_560359537,EMOLS-id_200956770	317.264	WINYUTLVTZULIV-HTQZYQBOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074485
Fc1cc(c(cc1F)F)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-2527068547,EMOLS-id_316415045	317.287	LCUFMOWOABWCRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074486
Fc1cc(F)c(c(c1)F)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-4852415105,EMOLS-id_316408328	317.287	OBSIYFSJJYGTSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074487
FC(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	PC-id_145523838	317.287	YQTGUYVTVWKJMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074488
O=C(c1conc1C(F)(F)F)NCc1sc2c(n1)CCC2	EMOLS-id_318604066	317.287	BGNRIFTYGBPYGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074489
O=C(c1ncoc1C(F)(F)F)NCc1sc2c(n1)CCC2	EMOLS-id_318665680	317.287	BAYBVPMMNZURAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074490
O=C(c1occ2c1CCC2)Nc1nnc(s1)CC(F)(F)F	EMOLS-id_318622415	317.287	NMJCLCWHQFEGGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074491
O=C(c1onc(c1)C(F)(F)F)NCc1sc2c(n1)CCC2	EMOLS-id_318652062	317.287	CFCCOISZVAVENI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074492
O=C(c1sc2c(c1)CCC2)NCc1noc(n1)C(F)(F)F	EMOLS-id_318616978	317.287	FKOSOMXPLMGSIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074493
O=C(c1sc2c(c1)CCC2)NCc1onc(n1)C(F)(F)F	EMOLS-id_316712445	317.287	AHBSXCGZWLRGKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074494
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCn2ccnc12	MCULE-5198627254,ZINC22_585138124,EMOLS-id_177319376	317.287	PEMQYVRDURLPJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074495
O=S(=O)(N1CCn2c1ncc2)c1ccccc1C(F)(F)F	EMOLS-id_319326299	317.287	GHPAVHDTFSCKSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074496
COC(=O)C1(CCn2c1ccc2C(=O)c1ccco1)C(=O)OC	PC-id_20073620,SCHEMBL9792227	317.293	LFNRSKSWQYCJIR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074497
O(C(=O)C1(C(Cn2c1ccc2C(=O)c1occc1)C)C)C(=O)O	PC-id_54038171	317.293	LKLAPDCPTKTXMN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074498
COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)COc1ccc(O)cc1	ZINC22_1875357349	317.297	CVDKPLJZBGAEEI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074499
COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)COc1ccc(O)cc1	ZINC22_1875357350	317.297	CVDKPLJZBGAEEI-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074500
O(CC1Cc2n(cnc2C1)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	PC-id_20738530	317.297	HUGQLTGTUYZYHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074501
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1OC)OC	MCULE-9097749895,STOCK6S-52320,PC-id_135635990,EMOLS-id_17108224	317.3	YNHXGJGXESRQCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074502
c12ncnn1C(C(=O)N2)CC(=O)Nc1cc(OC)cc(OC)c1	STOCK6S-48051,PC-id_135635959,MCULE-7131636773,EMOLS-id_17101915	317.3	KWVOMUZKRXGERO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074503
c12ncnn1C(C(=O)N2)CC(=O)Nc1c(OC)ccc(OC)c1	MCULE-7133705540,EMOLS-id_17104015,STOCK6S-49488,PC-id_135635964	317.3	QLDROEAPKXTEQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074504
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)c(OC)c1	PC-id_135904037,ZINC22_13725409	317.3	YNHXGJGXESRQCA-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074505
COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)c(OC)c1	PC-id_135904038,ZINC22_13725413	317.3	YNHXGJGXESRQCA-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-074506
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)c1	PC-id_135899897,ZINC22_13693207	317.3	QLDROEAPKXTEQS-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074507
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)Nc3ncnn23)c1	ZINC22_13693208,PC-id_135899898	317.3	QLDROEAPKXTEQS-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-074508
COc1cc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc(OC)c1	ZINC22_13691787,PC-id_135925033	317.3	KWVOMUZKRXGERO-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074509
COc1cc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc(OC)c1	ZINC22_13691788,PC-id_135925034	317.3	KWVOMUZKRXGERO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-074510
OC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(c1)[N+](=O)[O-]	PC-id_121438527,SCHEMBL17872123	317.3	DQZRNHNFQCDZPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074511
c12CN(Cc1nn(CC1CC1)c2C(=O)OCC)CC(F)(F)F	MCULE-5783572202,EMOLS-id_324345198	317.307	HPFUYLWNMCMHGL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074512
OCC1(C)CCN1C(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_319454845	317.307	SDRIKJQRNCIHEM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-074513
O=C(c1n(C)nc2c1CCC2)N[C@@H]1CCOC[C@@H]1C(F)(F)F	EMOLS-id_319521454	317.307	CGAKGGQKADKHIO-GXSJLCMTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074514
O=C(c1nn2c(c1)OCC2)NCC1CCCC(C1)C(F)(F)F	EMOLS-id_99580460	317.307	BMLKDLMNLFYBLW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074515
O=C(c1nn2c(c1)OCC2)NC(C(F)(F)F)C1CCCCC1	EMOLS-id_316747249,MCULE-7160530236	317.307	SGTCRSSRMPFOQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074516
OC(C(F)(F)F)C1CCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_319065203	317.307	RTJZGDSRBHJFHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074517
OC(C(F)(F)F)C1CCCN(C1)C(=O)c1nn2c(c1)CCC2	MCULE-2375541845,EMOLS-id_320321807	317.307	JJLKZFWUUHYBMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074518
OC(C(F)(F)F)C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_112329248	317.307	KZROEUKPRKVCOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074519
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)N[C@H]1CCO[C@H]1C	EMOLS-id_319107988	317.307	AAAGRZIGUOGWGC-WPRPVWTQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074520
FC(F)(F)C1CCCN(C1)C(=O)NCc1n2CCCc2nn1	EMOLS-id_35690240,MCULE-3383136785,PC-id_53506090	317.31	HOWDDOQSZVBDID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074521
O=C(N1Cc2c(C1)c(n(n2)C)N)NC(C(F)(F)F)(C1CC1)C	EMOLS-id_319308239	317.31	KFVDHURSUUGQNC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074522
O=C(NCc1nnc2n1CCC2)N1CCC[C@H](C(F)(F)F)C1	PC-id_95134750,ZINC22_65452304	317.31	HOWDDOQSZVBDID-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-074523
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H](C(F)(F)F)C1	PC-id_95134751,ZINC22_65452309	317.31	HOWDDOQSZVBDID-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074524
Fc1ccc(cc1)C1COCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_101548679	317.315	JAWJGSDKMLTVHE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-074525
Fc1ccc(cc1)C1(O)CCN(C1)C(=O)c1nn2c(c1)OCC2	PC-id_139003506,MCULE-2508985878,EMOLS-id_320364325	317.315	FVYYAHWQWNYSLU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074526
Fc1ccc(cc1)C(C(=O)O)CNC(=O)c1cnn2c1CCC2	EMOLS-id_316316315,MCULE-9398953062	317.315	LFWFQXVHZJYHQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074527
Fc1cnccc1C(=O)N1Cc2c(C1)nc(o2)COCC1CC1	CHEMBL3552515,PC-id_97406050	317.315	OUYOXHVMGKDAAA-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-074528
FC(c1n[nH]c(c1NS(=O)(=O)c1cnc2n1CCC2)C)F	EMOLS-id_100969039	317.315	IWEAMAWCZQLQFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074529
FC(Cn1ccc(n1)NS(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_100970806	317.315	LYDXWHHFOKUOBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074530
FC(Cn1ncc(c1)NS(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_100459562	317.315	JTMMDABWGUEYKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074531
O=C(c1cc2n(n1)CCO2)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC22_367971848	317.315	FVYYAHWQWNYSLU-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074532
O=C(c1cc2n(n1)CCO2)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC22_367971849	317.315	FVYYAHWQWNYSLU-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074533
O=C(NC[C@@H](C(=O)O)c1ccc(F)cc1)c1cnn2c1CCC2	ZINC22_637794642	317.315	LFWFQXVHZJYHQF-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074534
O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)c1cnn2c1CCC2	ZINC22_637794643	317.315	LFWFQXVHZJYHQF-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074535
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1F)C)CC	PC-id_135993998,MCULE-1293854724	317.318	PSXBGQGENAHKBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074536
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1F	PC-id_68440987,SCHEMBL2919561	317.318	VJUFXAUHFVFHTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074537
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccc(c1)F	PC-id_68442878,SCHEMBL2924596	317.318	CSHINUWLNJETAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074538
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)F	SCHEMBL2921841,PC-id_68441735	317.318	FREAGLLQAXPAOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074539
CCNC(=O)N1Cc2c(C1)n(nc2)NC(=O)c1cccc(c1)F	PC-id_70008059,SCHEMBL7160281	317.318	QBNKQELNKWSPCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074540
CC(=O)NCc1nnc2n1C(CC2)C(=O)Nc1ccc(cc1)F	PC-id_134796230	317.318	HHJVDODZVKVLLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074541
O=C(C1NCc2c1c[nH]n2)Nc1ccc(c(c1)C(=O)N(C)C)F	EMOLS-id_319387721	317.318	YERAFOABHNGPJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074542
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)C(=O)C)F	EMOLS-id_319616698	317.318	BQLXTKQGYPHWFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074543
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OC(=O)C	ChEMBL-DNDi_CHEMBL5629-0472,EMOLS-id_9063096,ZINC22_12579541	317.32	HTYUBHAYUSEDMF-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-074544
COc1cc(/C=c/sc3ncnn3c2=O)ccc1OC(=O)C	ZINC22_208294	317.32	HTYUBHAYUSEDMF-WUXMJOGZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074545
n12ncnc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O	MCULE-1715052565,EMOLS-id_300094009	317.32	HTYUBHAYUSEDMF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074546
c12sc(NC(=O)Cn3ccc(N(=O)=O)n3)c(C#N)c1CCC2	ZINC22_4717993,ChEMBL-DNDi_CHEMBL7991555,EMOLS-id_2011832,CoCoCo_433538,MCULE-6197124464,BAS-24803490,PC-id_2984663	317.323	YZXZVPMDDRBBOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074547
c1(cn(nc1C(=O)Nc1sc2c(CCC2)c1C#N)C)N(=O)=O	PC-id_947490,ChEMBL-DNDi_CHEMBL1574453,MCULE-4913107473,CHEMBL1574453,STOCK3S-02209,EMOLS-id_4475224,ZINC22_546581	317.323	LZUWNWZHRCULMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074548
c1(NC(=O)Cn2ncc(N(=O)=O)c2)sc2c(CCC2)c1C#N	BAS-02052996,ZINC22_52548,MCULE-1849687565,EMOLS-id_1363315,PC-id_685585,CoCoCo_228802,SPECS-id_AN-153/I136892	317.323	HDRGQGHOWLJNLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074549
s1c2CCCc2c(c1NC(=O)c1n(ncc1[N+](=O)[O-])C)C#N	PC-id_19575336	317.323	HXYSHLHHNVBTOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074550
S1CCn2c1nnc2NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	PC-id_44007664	317.323	DNFURGDAUBGBIY-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074551
S1CCn2c1nnc2NC(=O)C=Cc1ccc([N+](=O)[O-])cc1	PC-id_74908288	317.323	DNFURGDAUBGBIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074552
s1c2CCCc2c(c1N=C(Cn1nc(nn1)[N+](=O)[O-])C)C#N	PC-id_3271522	317.326	KFYYIUXDBYROBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074553
s1c2CCCc2c(c1/N=C(/Cn1nc(nn1)[N+](=O)[O-])C)C#N	PC-id_5778796	317.326	KFYYIUXDBYROBP-VGOFMYFVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074554
O=C(NCC1(c2ccc(F)cc2F)CC1)c1occ2c1CCC2	ZINC22_354495301,MCULE-6393771474,EMOLS-id_177230774	317.33	KKSLVWAZPVKQJI-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-074555
CC1CC(c2n1ncn2)NCCc1scc(n1)C(F)(F)F	EMOLS-id_318736109,MCULE-6432774775	317.333	ZRJCLQRTOPRYCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074556
CC(c1nnc2n1CCC2)NCc1cnc(s1)C(F)(F)F	MCULE-9061577634,EMOLS-id_318505488	317.333	IFWPXBZPXRCWCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074557
CC(c1scc(n1)C(F)(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_318801179	317.333	RGHYLVRCKBGJRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074558
C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c2nccn12	ZINC22_456409253	317.333	ZIWCTLNPNPMFOJ-LEKOTGGOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074559
C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c2nccn12	ZINC22_456409254	317.333	ZIWCTLNPNPMFOJ-LHMODEAPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074560
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c2nccn12	ZINC22_456409255	317.333	ZIWCTLNPNPMFOJ-WUWHUORYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074561
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c2nccn12	ZINC22_456409256	317.333	ZIWCTLNPNPMFOJ-XVSYOHENSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074562
Cn1c(c2CCCc2n1)CNc1nnc(s1)CC(F)(F)F	EMOLS-id_317783483,PC-id_136569632,MCULE-2979274586	317.333	ILMRKVMZFBUMBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074563
Fc1cc(C2N(CCC2)C(=O)c2n[nH]c3c2CCC3)ccc1F	MCULE-3517017457,PC-id_84583914,EMOLS-id_49013857	317.333	GXSHWXYPBJLCHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074564
Fc1ccc(c(c1)F)C1(CCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318475968	317.333	PFIKWOWVBXSYQH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074565
Fc1ccc(c(c1)F)C1(CCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318452692	317.333	KKHJWIDFWWURTM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074566
Fc1ccc(c(c1)F)C1(CCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318476512	317.333	CTRPTSLZJFTGNH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074567
Fc1ccc(c(c1)F)C1(CCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98270285	317.333	LJAKLWGDOIVGKD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074568
O=C(C1CC1c1cccc(c1F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318432959	317.333	ZIWCTLNPNPMFOJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074569
O=C(C1CC1c1cccc(c1F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318606774	317.333	KGCCUPXWNPZWTG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074570
O=C(C1CC1c1cccc(c1F)F)NCc1cnc2n1CCC2	EMOLS-id_319611367	317.333	LWNQIEIQMOJZRI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074571
O=C(C1CC1c1c(F)cccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_318624572	317.333	VALSWSTUXUODRH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074572
O=C(C1CC1c1c(F)cccc1F)Nc1n(C)nc2c1CCC2	EMOLS-id_318470421	317.333	CZUSNCWRUCBGTE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074573
O=C(C1CC1c1c(F)cccc1F)NCc1cnc2n1CCC2	EMOLS-id_318845705	317.333	UMWHZCILJNJEHL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074574
O=C(C1CC1c1c(F)cccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319902805,MCULE-6072013562	317.333	WMGXPBQXFDYPEW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074575
O=C(c1cc2n(n1)CCC2)NC1CC1(C)c1ccc(c(c1)F)F	EMOLS-id_318460578	317.333	MILCUEODVKKCSX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074576
O=C(c1cnc2n1CCC2)NC1CC1(C)c1ccc(c(c1)F)F	EMOLS-id_318761414	317.333	WMZMMXVFQDIBIW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074577
O=C(c1cnn2c1CCC2)NC1CC1(C)c1ccc(c(c1)F)F	EMOLS-id_318448141	317.333	PUEAUFBWBLPZRJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074578
O=C(c1n[nH]c2c1CCC2)N1CC(C1)Cc1ccc(c(c1)F)F	EMOLS-id_318354217	317.333	CDWVEQHDLJFBME-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-074579
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1ccc(F)c(F)c1	PC-id_97213082,ZINC22_95396169	317.333	GXSHWXYPBJLCHQ-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074580
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC22_95396168,PC-id_97213081	317.333	GXSHWXYPBJLCHQ-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074581
O=C([C@@H]1C[C@H]1c1ccc(cc1F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318513349	317.333	SZSXNIDUFJWBIL-MDZYGYFASA-N	00100010100000110001100010000000000000000000000000000000	25-01-074582
O=C([C@@H]1C[C@H]1c1ccc(c(c1)F)F)NC1CC(n2c1ncc2)C	EMOLS-id_318606001	317.333	BXZILUVJKRNLFC-BDVFFMEPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074583
O=C([C@@H]1C[C@H]1c1ccc(c(c1)F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318392298	317.333	LKYPVAPCLNFYSG-NWDGAFQWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074584
O=C([C@@H]1C[C@H]1c1ccc(cc1F)F)Nc1n(C)nc2c1CCC2	EMOLS-id_318623285	317.333	WJJYVVBJMHRAOC-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074585
O=C([C@@H]1C[C@H]1c1ccc(c(c1)F)F)NCc1cnc2n1CCC2	EMOLS-id_318799996	317.333	ZKRRVGJIEWPHRP-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074586
O=C([C@@H]1C[C@H]1c1ccc(c(c1)F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318904677	317.333	NMMZCEBAVRDYKN-NWDGAFQWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074587
O=C([C@@H]1C[C@H]1c1ccc(cc1F)F)NCc1n[nH]c2c1CCC2	MCULE-5597305058,EMOLS-id_320034450	317.333	RHEJMXLKJSWPIU-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074588
O=C([C@@H]1[C@H](C1(F)F)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318643818	317.333	PYTQPMZTOBWTBU-HOFDXXJLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074589
O=C([C@@H]1[C@H](C1(F)F)c1ccccc1)Nc1n(C)nc2c1CCC2	EMOLS-id_318629272	317.333	OXBOEHCHOKPAFS-KGLIPLIRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074590
c1(NC(=O)Cn2cc(F)ccc2=O)sc2c(CCC2)c1C#N	MCULE-3792130692,EMOLS-id_180184057,PC-id_84313527	317.338	ZUDCKROUHFWVOZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074591
O1c2c(n(c(c2)C(=O)c2ccccc2)Cc2ccccc2)CC1=O	SCHEMBL7678501,PC-id_15485820	317.338	OEMMBLNPSWXWBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074592
c1(C(=O)Nc2cc(OC)c(c(OC)c2)OC)c2CCCc2[nH]n1	PC-id_110388951,MCULE-7613065630,EMOLS-id_179744922	317.34	MPIYFHIHNGDXTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074593
c1(C(=O)Nc2cc(OC)c(c(OC)c2)OC)cn2c(CCC2)n1	MCULE-6513712059,EMOLS-id_321296861	317.34	HMCJFGHYTNUZBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074594
Cn1cc(c(n1)C)CC(C(=O)O)NC(=O)c1occ2c1CCC2	EMOLS-id_319271605	317.34	RMEAYAPZEZYZCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074595
O=C(c1occ2c1CCC2)NCc1cn(C(C)C)c(=O)[nH]c1=O	EMOLS-id_318978707	317.34	LNHWNXAWKOQDNS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074596
O=C(NC1CCn2c1cnc2)c1cc(OC)c(OC)c(OC)c1	PC-id_21608161	317.34	STCQQVGIJLEGKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074597
[O-]S(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_118612001	317.34	JJAHEXODYUOQDQ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-074598
s1c2CCCc2cc1C(=O)NCc1cc([N+](=O)[O-])ccc1[O-]	PC-id_9155083	317.34	AHPTXHBMWGUEBS-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-074599
N#Cc1c(NC(=O)CCc2cncc(F)c2)nc2n1CCS2	MCULE-8303989962,EMOLS-id_49962588,PC-id_86801592,ZINC22_97102173	317.341	ZFZQMGVHTXOPMF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074600
c1(C(=O)NCc2c3CCCc3[nH]n2)onc(N2CCOCC2)c1	MCULE-2763850991,ZINC22_1772805329,EMOLS-id_317885861	317.343	KTOPRVDFGKTULZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074601
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)cc(=O)n(c(=O)n1C)C	MCULE-3347804743,EMOLS-id_48433768,ZINC22_95506168,PC-id_72867378	317.343	IMTIFQXSVOTNFV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074602
c1(C(=O)NCCc2noc(C3CCCO3)n2)c2CCCc2[nH]n1	EMOLS-id_49873160,MCULE-2161711182,PC-id_77082412	317.343	ZJKMRTZYGUNZNU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074603
O=C(NCc1n2CCCc2nn1)Nc1cc(OC)cc(OC)c1	PC-id_60446306	317.343	IHTAEUYKUCXEIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074624
Cc1cc(c(cc1O)NCC=O)Nc1c(n2CCCn2c1=O)N	PC-id_91165369	317.343	WDFMJSVLTOWLCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074604
CC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=NCCO)CC1=O	PC-id_90952591	317.343	VBSHMRPRUDWLCT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074605
Cc1c(O)nc(CCN(C)C(=O)c2cnc3n2CCC3)nc1O	ZINC22_1412691197	317.343	IGTLAWNWLLXPDY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074606
Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2n[nH]c3c2CCC3)n1	MCULE-1415970818,ZINC22_408054037,EMOLS-id_110602195	317.343	KFEAIMHSAOFOBE-OQPBUACISA-N	00000010100010000001100010000000000000000000000000000000	25-01-074607
Cc1noc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H](C)O2)n1	MCULE-4863990660,EMOLS-id_316129628,ZINC22_628857808	317.343	MAXJDZYDSWOMDY-PRHODGIISA-N	00000010100010000001100010000000000000000000000000000000	25-01-074608
Cc1onc(n1)C1(CCCCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_111199453	317.343	WGXUGJKHCGJYLC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074609
Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3n(n2)CCC3)cn1	MCULE-9993404996,EMOLS-id_316098928,ZINC22_862921889	317.343	KKOADFBBCUTPGW-UONOGXRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074610
Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cn3c(n2)CCC3)cn1	ZINC22_685939985,EMOLS-id_316117123,MCULE-4331916005	317.343	UUMWSQSRBQANDT-QWHCGFSZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074611
Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc3n2CCC3)cn1	MCULE-9327910269,EMOLS-id_316102633,ZINC22_862921286	317.343	MJCQAWIHOXGIPP-WCQYABFASA-N	00000010100000000001000010000000000000000000000000000000	25-01-074612
Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cn1	EMOLS-id_316091772,ZINC22_862925419,MCULE-1289758920	317.343	ITEDDLBHBLWTRE-QWHCGFSZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074613
CN(Cc1n[nH]c2c1CCC2)C(=O)CCn1ccc(=O)[nH]c1=O	PC-id_91789705,MCULE-9609990539,EMOLS-id_55687931,ZINC22_223098723	317.343	RJYCVCZFUMTJOU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074614
COc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)OC	EMOLS-id_319689979	317.343	ZVUVPERHNGMJHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074615
COc1ccc(cc1OC)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319100061	317.343	YGPSLODZLLWKSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074616
COCOc1ccc(cc1)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_316717986	317.343	VBZDUCGZTDNDQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074617
COC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3n2CCC3)c1C	ZINC22_22190766,EMOLS-id_44040165,PC-id_30093538,MCULE-6989259994	317.343	UNBBFJZMGCFRFO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-074618
COC(=O)c1c(NC(=O)NCc2cccn2C)nc2n1CCC2	EMOLS-id_319029009	317.343	HCJZJVLECZJKOO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-074619
COC(=O)c1c(NC(=O)NCc2ccn(c2)C)nc2n1CCC2	EMOLS-id_319340506	317.343	VDOWOKYEUBPBFN-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-074620
O=c1n2n(CCC2)c(N)c1/N=C
/C(=CC(=O)C(=C1)C)NCCO	PC-id_57578015,SCHEMBL3860995	317.343	BKEQHRPXTNFELH-WOJGMQOQSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074621
O=C(c1cc2n(n1)CCO2)Nc1cc(nn1C)C1CCCOC1	EMOLS-id_99616921	317.343	ZGLWLZIBWIOUGM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074622
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)Cc1ncoc1C	MCULE-8481400302,EMOLS-id_319977197	317.343	ZEBFGFHOPLCAAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074623
O=C(NCc1n2CCCc2nn1)Nc1cc(OC)c(OC)cc1	PC-id_60446150	317.343	HVBMTPVNTGCPLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074625
O=C(NCc1n2CCCc2nn1)Nc1c(OC)ccc(OC)c1	PC-id_60446797	317.343	QMQFNYYQLPVYKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074626
O=C(NCCc1noc([C@@H]2CCCO2)n1)c1n[nH]c2c1CCC2	PC-id_99929700,ZINC22_215266019	317.343	ZJKMRTZYGUNZNU-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-074627
O=C(NCCc1noc([C@H]2CCCO2)n1)c1n[nH]c2c1CCC2	ZINC22_215266063,PC-id_99929701	317.343	ZJKMRTZYGUNZNU-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074628
c1(C(=O)NCc2nnc3CCCn23)cn(nn1)CC1CCCO1	PC-id_56883452,EMOLS-id_43062826,MCULE-6041973040	317.346	MJKNSEFQNNDMGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074629
CN(C)[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1n1ccnn1	EMOLS-id_257931288,ZINC22_823727376,MCULE-3447157254	317.346	OZUOUYFDFHBAPR-NEPJUHHUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074630
O=C(NCc1nnc2n1CCC2)c1cn(C[C@@H]2CCCO2)nn1	ZINC22_72125551,PC-id_95708300	317.346	MJKNSEFQNNDMGJ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-074631
O=C(NCc1nnc2n1CCC2)c1cn(C[C@H]2CCCO2)nn1	ZINC22_72125552,PC-id_95708301	317.346	MJKNSEFQNNDMGJ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074632
c12CN(Cc1nn(CC1CCCCC1)c2CO)CC(F)(F)F	EMOLS-id_324346730,MCULE-9872981084	317.35	HIRTUXRTTAPMIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074633
C[C@@]12CCN(S(=O)(=O)c3cnc4n3CCC4)C[C@H]1C2(F)F	ZINC22_330209196	317.355	HJEODDDBZLCYKW-BXKDBHETSA-N	00100010100010000001010010000000000000000000000000000000	25-01-074634
C[C@]12CCN(S(=O)(=O)c3cnc4n3CCC4)C[C@@H]1C2(F)F	ZINC22_330209197	317.355	HJEODDDBZLCYKW-CABZTGNLSA-N	00100010100010000001010010000000000000000000000000000000	25-01-074635
C[C@@]12CCN(S(=O)(=O)c3cnc4n3CCC4)C[C@@H]1C2(F)F	ZINC22_330209198	317.355	HJEODDDBZLCYKW-JOYOIKCWSA-N	00100010100010000001010010000000000000000000000000000000	25-01-074636
C[C@]12CCN(S(=O)(=O)c3cnc4n3CCC4)C[C@H]1C2(F)F	ZINC22_330209199	317.355	HJEODDDBZLCYKW-SKDRFNHKSA-N	00100010100010000001010010000000000000000000000000000000	25-01-074637
FC1(F)C2C1(C)CCN(C2)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100580782,MCULE-3774810116	317.355	HJEODDDBZLCYKW-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-074638
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2F)OCC)n1	EMOLS-id_331037703,MCULE-2351281593	317.358	VKGIEYCLCGBRAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074639
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)OCCF)n1	EMOLS-id_331037447,MCULE-4401815889	317.358	AWUGOLLOKOTRAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074640
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(F)c2)OCC)n1	MCULE-5095756938,EMOLS-id_331037191	317.358	YSOOEDIZWUZNQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074641
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1F)OCC	EMOLS-id_331019697,MCULE-9436690789	317.358	IMEIZXGHIYOPDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074642
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)OCCF	EMOLS-id_331019441,MCULE-6868531798	317.358	NCRAATQLCNGRHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074643
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(F)c1)OCC	EMOLS-id_331019185,MCULE-9442592120	317.358	GDVIPHSSHBBWFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074644
O=C(Nc1n[nH]c2CCCc12)Cc1cc(c2ccccc2)ccc1	PC-id_9858140	317.384	MLTLZURWWTXIOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074834
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1F)OC	MCULE-2520524793,EMOLS-id_331019960	317.358	SMWCSGNSVYBNCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074645
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1OC)F	MCULE-6553959073,EMOLS-id_331021497	317.358	FTGTXNZZXVUZAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074646
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)OC	MCULE-1710445665,EMOLS-id_331020216	317.358	KQSSGXHBEKKNMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074647
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(OC)c1F	EMOLS-id_331018939,MCULE-8793683133	317.358	NPLYGTARWUKIOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074648
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(OC)c1)F	MCULE-1461757087,EMOLS-id_331018427	317.358	OFJXXFDIKLCUPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074649
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(F)ccc1OC	EMOLS-id_331019196,MCULE-4547835157	317.358	SCIMVDCSSLRWTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074650
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(OC)cc(F)c1	MCULE-9247956945,EMOLS-id_331018683	317.358	FQGKRKVAMMAVFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074651
CC(NC(=O)c1n[nH]c2c1CCC2)CC(c1ccc(cc1)F)O	PC-id_112331714	317.358	RMEVILTXBASICB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074652
Cn1nc2c(c1NC(=O)C(C)(C)Oc1ccc(F)cc1)CCC2	ZINC22_299301951,EMOLS-id_316849041,MCULE-5715104723,PC-id_136579449	317.358	RCWHLLUGZZPWEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074653
COc1ccc(cc1F)C(C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_318607287	317.358	PTXLNLYVKGGBSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074654
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1C(=O)N	EMOLS-id_331019452,MCULE-4005931096	317.358	XQNMKIYWNDXBLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074655
Fc1ccc(cc1)C(C(C)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318577233	317.358	AQJKOLIMVQYFPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074656
Fc1cccc(c1)C(C(C)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318703720	317.358	FNVCLIZLKRVSBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074657
Fc1ccc(cc1)OC(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_319479372	317.358	ATSQKTVHNSJDGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074658
OCC(Cc1ccccc1F)(NC(=O)c1cnc2n1CCC2)C	EMOLS-id_316450378,MCULE-3030597372	317.358	ZKEUAOMNCYQHNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074659
OCC(Cc1ccccc1F)(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_316377086,MCULE-7424846313	317.358	DYZHEGZHZHPGFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074660
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)O	EMOLS-id_3738706,STOCK1S-84369,MCULE-2474597569,PC-id_760014,ZINC22_227493	317.36	SQIZSWHUYWUFJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074661
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)O	STOCK1S-86006,BAS-06104545,PC-id_760011,TIMTEC347012,EMOLS-id_1476447,CoCoCo_345272,MCULE-6893058349,ZINC22_227487	317.36	NYTZHEZIHNKDQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074662
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)O	MCULE-2850961085,PC-id_28860208,EMOLS-id_179129443	317.36	LDVNIEBLZDHDLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074663
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)OC	PC-id_727617,MCULE-7057075201,EMOLS-id_26076215	317.36	MLYPZMWBDCJUNR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074664
CCOc1ccc(cc1CO)NC(=O)c1sc2c(c1)CCC2	PC-id_110899645	317.403	WEIQBHNPUDEMJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074875
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)O	MCULE-4590653887,PC-id_28860238,EMOLS-id_179129481	317.36	NWBNTOHOVALZCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074665
c1(NC(=O)Oc2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_8057324,ZINC22_6719931,STOCK6S-11161,EMOLS-id_4741361,MCULE-9992631065	317.36	IKNQQXCGWULGGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074666
C=CCSc1cc2n(c1C(=O)c1ccco1)CCC2C(=O)O	SCHEMBL10935073,PC-id_70476527	317.36	ONEOOWAIDHQEHQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074667
C=CCSc1cc2n(c1C(=O)c1cocc1)CCC2C(=O)O	SCHEMBL10935581,PC-id_70476639	317.36	USQLPWPCGOPBEJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074668
COc1cc(ccc1C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_121650023,MCULE-6370356461,EMOLS-id_71430529	317.36	JILJOBMEVBFTBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074669
COc1cc(ccc1NC(=O)c1sc2c(c1)CCC2)C(=O)O	MCULE-2701939019,PC-id_121940428,EMOLS-id_72589821	317.36	STYBOSNYSPNDAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074670
COC(=O)C1=CCc2c1cn(c2)S(=O)(=O)c1ccc(cc1)C	PC-id_101561830	317.36	IGGHUYVBTJZCCX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-074671
COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCC2	BindingDB_PC-id_727619,BindingDB-id_114576,CoCoCo_3314583,CHEMBL1561115,EMOLS-id_207119516,TIMTEC21767,ChEMBL-DNDi_CHEMBL1561115,PC-id_727619,ZINC22_137167	317.36	MLYPZMWBDCJUNR-BQYQJAHWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074672
COC(=O)c1c(NC(=O)/C=Cc2ccco2)sc2c1CCC2	CoCoCo_3314584	317.36	MLYPZMWBDCJUNR-FPLPWBNLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074673
COC(=O)c1c(sc2c1CCC2)N=Cc1c(cc(cc1)O)O	PC-id_135670517	317.36	DDNRXBJLBPSROU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074674
COC(=O)c1c(sc2c1CCC2)N=Cc1cc(c(cc1)O)O	PC-id_135718892	317.36	BBZYKRLHDFXSQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074675
COC(=O)c1c(sc2c1CCC2)N=Cc1c(c(ccc1)O)O	PC-id_135796135	317.36	YSABCCVZGASAHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074676
CSc1cc2n(c1C(=O)c1ccccc1)CCC2OC(=O)O	SCHEMBL10816377,PC-id_70450132	317.36	KDWPFOYQQCUGQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074677
CS(=O)c1ccc2n1CCC2(C(=O)O)C(=O)c1ccccc1	SCHEMBL11436398,PC-id_70585730	317.36	FMRZGRNMMSTLJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074678
C[S+]([O-])c1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	SCHEMBL11438250,PC-id_13487051,CHEMBL9232	317.36	ABAYTZCAEMGBIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074679
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(O)cc1	ZINC22_18259958,EMOLS-id_44492407,PC-id_27909068,MCULE-1758845167	317.36	XGVJJPJQWJYOCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074680
OC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)S(=O)C	PC-id_70450075,SCHEMBL10816164	317.36	MBJXNENRUQATCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074681
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)C	SCHEMBL11443575,PC-id_23333054	317.36	DAQDKIAURJXJQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074682
OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C	SCHEMBL11443576,PC-id_70587195	317.36	KPNQAKUQPNVAPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074683
OC(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_329926894	317.36	XYJYYLILWDRJJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074684
OC(=O)COc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	MCULE-1454212161,EMOLS-id_71412076,PC-id_121698990	317.36	POGXBJUCFCGEBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074685
OC(=O)COc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_121698876,EMOLS-id_51281942,MCULE-5194276391	317.36	ZQXWSEBDANOASM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074686
s1c2CCCc2cc1C(=O)OC(c1cc([N+](=O)[O-])ccc1)C	PC-id_78674747	317.36	DVZRABNODAWTRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074687
s1c2CCCc2cc1C(=O)O[C@H](c1cc([N+](=O)[O-])ccc1)C	PC-id_8358900	317.36	DVZRABNODAWTRJ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-074688
s1c2CCCc2cc1C(=O)O[C@@H](c1cc([N+](=O)[O-])ccc1)C	PC-id_8358908	317.36	DVZRABNODAWTRJ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074689
s1c2c(CCC2)c(c1N/C=C
/C(=CC(=O)C=C1)O)C(=O)OC	PC-id_24097542	317.36	KPLYTSXZVGHIGB-CMDGGOBGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074690
s1c2c(CCC2)c(c1NC=C1C(=CC(=O)C=C1)O)C(=O)OC	PC-id_74178403	317.36	KPLYTSXZVGHIGB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074691
s1c2c(CCC2)c(c1N/C=C/1C=C(O)C(=O)C=C1)C(=O)OC	PC-id_23768592	317.36	HIQLNBKFQRZXPG-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074692
s1c2c(CCC2)c(c1NC=C1C=C(O)C(=O)C=C1)C(=O)OC	PC-id_74108810	317.36	HIQLNBKFQRZXPG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074693
s1c2c(CCC2)c(c1N/C=C
/C(=O)C(=CC=C1)O)C(=O)OC	PC-id_24049057	317.36	HRHGQHALJHFNLQ-CMDGGOBGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074694
s1c2c(CCC2)c(c1NC=C1C(=O)C(=CC=C1)O)C(=O)OC	PC-id_74169891	317.36	HRHGQHALJHFNLQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-074695
Cc1ccc(c(c1)F)CNC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318502041	317.361	DEGFZDBMITWYBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074696
Cc1cc(CNC(=O)N(C)Cc2nnc3n2CCC3)ccc1F	MCULE-5428965101,ZINC22_65398780,PC-id_53500298,EMOLS-id_35718860	317.361	JFOZDJZWZUNDNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074697
C[C@@H](NC(=O)N(C)Cc1nnc2n1CCC2)c1ccccc1F	PC-id_95126804,ZINC22_65399596	317.361	PXTCKDRIMFNJKQ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074698
C[C@H](NC(=O)N(C)Cc1nnc2n1CCC2)c1ccccc1F	ZINC22_65399595,PC-id_95126803	317.361	PXTCKDRIMFNJKQ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-074699
CC(N(c1ccc(cc1F)NC(=O)N1CCn2c1ncc2)C)C	EMOLS-id_318476301	317.361	KGQSEGNMGBRZRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074700
CN(C(c1ccc(cc1)F)CNC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319831728,MCULE-9836578736	317.361	QWYMDXVXRXIUFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074701
CN(Cc1nnc2n1CCC2)C(=O)NCCc1ccccc1F	ZINC22_44966644,PC-id_45830152,EMOLS-id_31998010,MCULE-1581430849	317.361	BOSYWZQIUCQQCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074702
CN(C)Cc1nn(C)c2c1CN(C(=O)Nc1cccc(F)c1)C2	ZINC22_96084455,EMOLS-id_46181917,PC-id_97405281	317.361	HRBWHMUUEYLIKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074703
CN(C)Cc1nn(C)c2c1CN(C(=O)Nc1ccc(F)cc1)C2	PC-id_97405282,ZINC22_96084456,EMOLS-id_46181919	317.361	FEPNCTVIYZQDMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074704
Fc1cccnc1OC1CCN(CC1)CC1CCc2n1ncn2	EMOLS-id_320345726,PC-id_139022106,MCULE-8942360076	317.361	WYROTCKVENWOTP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-074705
Fc1cccnc1OC1CCN(C[C@H]2CCc3ncnn23)CC1	ZINC22_639616472	317.361	WYROTCKVENWOTP-GFCCVEGCSA-N	00000010100010101001000010000000000000000000000000000000	25-01-074706
Fc1cccnc1OC1CCN(C[C@@H]2CCc3ncnn23)CC1	ZINC22_639616473	317.361	WYROTCKVENWOTP-LBPRGKRZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-074707
Fc1c(C(NC(=O)N(Cc2n3CCCc3nn2)C)C)cccc1	MCULE-8068637420,PC-id_53500546,EMOLS-id_35717270	317.361	PXTCKDRIMFNJKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074708
c12c(CCC1C(=O)N)sc(NC(=O)c1ccc(cc1)OC)n2	PC-id_16947946,EMOLS-id_12347955,MCULE-1698882491	317.363	OXIHWGKLLKTCSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074709
c1(NC(=O)c2cccc(c2)OC(=O)C)n(C)nc2CSCc12	EMOLS-id_334561460,MCULE-9216419501	317.363	DNALKVQIIJLZFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074710
c1(NC(=O)c2ccc(cc2)OC(=O)C)n(C)nc2CSCc12	MCULE-1374913937,EMOLS-id_334562751	317.363	BBCFEMNOJJYAQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074711
c1(NC(=O)c2ccncn2)sc2c(CCC2)c1C(=O)OCC	MCULE-7511453279,ZINC22_4755628,PC-id_2908063,EMOLS-id_177542156	317.363	YEHVJOQXDNBVDW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074712
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C(=O)OCC	ZINC22_31814,MCULE-6688497067,SPECS-id_AG-205/37179126,EMOLS-id_1363155,BAS-02052792,PC-id_670846,CoCoCo_228708	317.363	WTHRIHYCHSIZLP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074713
CC1(Cc2cc(nn2C1)C=C1C2N(C1=O)C(=CS2)C(=O)O)C	PC-id_87540543	317.363	HUGCXBGSKYVVDN-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-074714
CCc1nc2s/c(=Cc3cccc(OC)c3OC)/c(=O)n2n1	EMOLS-id_324842729	317.363	SQCUPWPEDCYXRC-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074715
CCc1nc2s/c(=Cc3ccc(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324843237	317.363	MIKWDAKZXQVSJI-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074716
CCc1nc2s/c(=Cc3cc(OC)ccc3OC)/c(=O)n2n1	EMOLS-id_324843241	317.363	IBIAQBRFKJODGR-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074717
CCCc1nc2s/c(=Cc3ccc(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324844782	317.363	XMUNKPQEPVGPEY-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074718
CC(C(=O)Nc1ncccn1)OC(=O)c1sc2c(c1)CCC2	MCULE-6052794460,EMOLS-id_45634005,PC-id_71943615	317.363	CEZDCPHLTZRIAM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074719
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ncccn1	PC-id_92401308,ZINC22_11508184	317.363	CEZDCPHLTZRIAM-VIFPVBQESA-N	00000010100000100001000010000000000000000000000000000000	25-01-074720
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ncccn1	ZINC22_11508187,PC-id_92401309	317.363	CEZDCPHLTZRIAM-SECBINFHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074721
CCOc1cc(/C=c/2sc3nc(CC)nn3c2=O)ccc1O	EMOLS-id_324844773	317.363	SBWHXVFFTQORST-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074722
CCOc1cc(/C=c/2sc3nc(C)nn3c2=O)ccc1OC	EMOLS-id_324844256	317.363	JATDMEKIWDLERU-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074723
CCOc1cc(ccc1OCC)/C=c/1sc2n(c1=O)ncn2	ZINC22_13644134,STOCK3S-35633,EMOLS-id_26302763	317.363	ZWRVIGZFTXELCU-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074724
CCOc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1OC	EMOLS-id_324843233	317.363	LFYUJWKWTBDIKR-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074725
CCOc1ccc(/C=c/2sc3nc(COC)nn3c2=O)cc1	EMOLS-id_324899841	317.363	GWHRIQLUQIHFTI-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074726
CCOc1ccc(/C=c/sc3ncnn3c2=O)cc1OCC	EMOLS-id_1123475,ZINC22_207570	317.363	ZWRVIGZFTXELCU-MDWZMJQESA-N	00000000100000110001000010000000000000000000000000000000	25-01-074727
CCOc1cccc(/C=c/2sc3nc(CC)nn3c2=O)c1O	EMOLS-id_324844776	317.363	LYHUCSFCFBIMSS-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074728
CCOc1cccc(/C=c/2sc3nc(COC)nn3c2=O)c1	EMOLS-id_324898822	317.363	HWNFMCMUFOJROQ-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074729
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)C)ccc1O	EMOLS-id_324846824	317.363	NXAMASGHHJBQNV-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074730
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N)cc1	PC-id_41007527,CoCoCo_5124899,ZINC22_9301718	317.363	OXIHWGKLLKTCSS-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-074731
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N)cc1	ZINC22_9301719,GD-id_ZINC09301719,PC-id_41007528,CoCoCo_5124898	317.363	OXIHWGKLLKTCSS-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074732
COCCNC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	PC-id_22976079,SCHEMBL7152052	317.363	ZEKNBXVGVUVBMY-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074733
COCCNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7152043	317.363	ZEKNBXVGVUVBMY-YFHOEESVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074734
COCCNC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	SCHEMBL7152048,PC-id_70005380	317.363	ZEKNBXVGVUVBMY-JXMROGBWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074735
COC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_30692177,PC-id_37833321,EMOLS-id_27397941,MCULE-2681323994,CoCoCo_4731568	317.363	QCNGTLQHDDABEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074736
n12c(=O)c(=Cc3ccc(c(OC)c3)O)sc1nc(C(C)C)n2	MCULE-8135581849	317.363	NXAMASGHHJBQNV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074737
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)COC	MCULE-5129418527	317.363	GWHRIQLUQIHFTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074738
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CC	MCULE-6078481092	317.363	IBIAQBRFKJODGR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074739
n12nc(nc1sc(=Cc1ccc(c(OC)c1)O)c2=O)CCC	MCULE-6339901974	317.363	XMUNKPQEPVGPEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074740
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CC	MCULE-7048735396	317.363	SQCUPWPEDCYXRC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074741
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)C	MCULE-1320994289	317.363	LFYUJWKWTBDIKR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074742
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COC	MCULE-6157772315	317.363	HWNFMCMUFOJROQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074743
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CC	MCULE-6246949389	317.363	LYHUCSFCFBIMSS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074744
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC)c2=O)C	MCULE-5363985409	317.363	JATDMEKIWDLERU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074745
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O	MCULE-7733888679	317.363	ZWRVIGZFTXELCU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074746
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CC	MCULE-4986330662	317.363	MIKWDAKZXQVSJI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074747
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CC	MCULE-8468524246	317.363	SBWHXVFFTQORST-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074748
O=C1/C(=C/c2nn3c(c2)CC(C3)(C)C)/[C@@H]2N1C(=CS2)C(=O)O	PC-id_140038746	317.363	HUGCXBGSKYVVDN-JTMRULEUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-074749
O=C1C(=Cc2nn3c(c2)CC(C3)(C)C)[C@@H]2N1C(=CS2)C(=O)O	SCHEMBL3551728,PC-id_68687031	317.363	HUGCXBGSKYVVDN-CYBMUJFWSA-N	00001011100000000001001010000000000000000000000000000000	25-01-074750
O=C(c1cc2c(s1)CCC2)NNC(=O)c1ccc(=O)n(c1)C	MCULE-7651617984,PC-id_45825480,EMOLS-id_31967550	317.363	STKKBSGJXLZLIM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074751
O=C(c1ccc(cc1)S(=O)(=O)C)NN=C1CCn2c1ccc2	EMOLS-id_44528782,PC-id_71896565,MCULE-5810641407	317.363	UFFSXRWMJYGNDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074752
OCCCNC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	PC-id_59043168,SCHEMBL7149743	317.363	LMZFKTHUHNOELI-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074753
OCCCNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7149734	317.363	LMZFKTHUHNOELI-YFHOEESVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074754
OCCCNC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	SCHEMBL7149738,PC-id_22976080	317.363	LMZFKTHUHNOELI-JXMROGBWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074755
OCCN(C(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2)C	PC-id_70004843,SCHEMBL7150113	317.363	QEGMHDBRWZWCQH-JXMROGBWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074756
OCCN(C(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2)C	SCHEMBL7150107	317.363	QEGMHDBRWZWCQH-YFHOEESVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074757
OCCN(C(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2)C	SCHEMBL7150119,PC-id_18627029	317.363	QEGMHDBRWZWCQH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074758
O=C(NCc1ccc(C(=O)O)cc1)Nc1nc2c(s1)CCC2	ZINC22_315348577,EMOLS-id_276233647,MCULE-3844685219	317.363	PDAIDPVXOMMALE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074759
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OC)nc1	PC-id_27684815	317.363	FCZIRTCRONBZSH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074760
s1c2CCCc2cc1C(=O)NNC(=O)Cn1c(=O)cccc1	PC-id_46524104	317.363	QSOJKDCFPRQFDR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074761
s1c2CCCc2nc1NC(=O)c1ccc(OCC(=O)N)cc1	PC-id_33040546	317.363	NTGIQYFFJWUSHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074762
S1C(C(=O)n2c1nnc2)C=Cc1cc(OC)c(OCC)cc1	PC-id_18891886	317.363	REJGPHZYOFBICC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074763
S1C(C(=O)n2c1nnc2C)C=Cc1cc(OC)c(OC)cc1	PC-id_18891895	317.363	JEUIWSPYMGAGHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074764
S(=O)(=O)(c1ccc(C(=O)N/N=C/CCn3c2ccc3)cc1)C	PC-id_75362587	317.363	UFFSXRWMJYGNDF-SSZFMOIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074765
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)N(CCC(=O)O)C	PC-id_65684563	317.365	QIZAUMCEQKJNKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074766
S(=O)(=O)(NC(c1n2CCCc2nn1)C)N(CCC(=O)O)C	PC-id_65685701	317.365	JHQFGXRCJCMHRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074767
c12CN(Cc1cnn2CCO)C(=O)Cc1cn2c(scc2)n1	EMOLS-id_49672252,MCULE-6587820713,ZINC22_97732527,PC-id_74246460	317.366	XJBDDMLEUSDTQA-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-074768
s1c2CCCc2nc1NC(=O)Cc1ccc(cc1)C(=S)N	PC-id_63589278	317.429	HMLAKVFEYHWJNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075088
c1(NC(=O)CCNC(=O)c2cnccn2)sc2c(CCC2)n1	EMOLS-id_43041340,ZINC22_72405766,EMOLS-id_46566021,MCULE-7429892852,PC-id_47842390,STOCK7S-29800	317.366	HROZCSXRXVNMDX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074769
Cc1noc(C)c1[C@H](C)C(=O)Nc1nc2n(c1C#N)CCS2	PC-id_97001943,ZINC22_84023011	317.366	SPHHZHFCLDZGIV-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074770
Cc1noc(C)c1[C@@H](C)C(=O)Nc1nc2n(c1C#N)CCS2	ZINC22_84023005,PC-id_97001942	317.366	SPHHZHFCLDZGIV-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074771
N#Cc1c(NC(=O)C(c2c(C)noc2C)C)nc2n1CCS2	MCULE-4897213381,PC-id_60323655,EMOLS-id_44509041	317.366	SPHHZHFCLDZGIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074772
O=C(c1ccc(nn1)N1CCCC1)Nc1onc2c1CSC2	PC-id_121027767	317.366	IINKCVTVGIBJJH-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-074773
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(cc1)C#N	PC-id_16588366	317.366	LQLHMMPMVHLCND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074774
c1(C(=O)NCCc2nn3c(nnc3)s2)c2CCCc2n(C)n1	MCULE-1791367865,PC-id_84467397,EMOLS-id_320481035	317.37	KCGFHQMKVALGGM-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-074775
N#Cc1c(NC(=O)c2nnn(c2)C(C)(C)C)nc2n1CCS2	EMOLS-id_100509284	317.37	WZTLQFURYUISCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074776
Fc1cccc(c1C1(CCC1)CNC1CC(n2c1ncc2)C)F	EMOLS-id_318313047,MCULE-6648479778	317.376	QLYXARUYUHBDFN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074777
Fc1cccc(c1C1(CCCC1)CNC1CCn2c1ncc2)F	MCULE-7437441576,EMOLS-id_318157651	317.376	RXQILOCVSPPRKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074778
Fc1cccc(c1F)C1(CCCC1)CNC1CCn2c1ncc2	MCULE-1629673896,EMOLS-id_318290549	317.376	QDZDEUIACYYIBJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074779
Fc1ccc(c(c1)F)C1(CCCC1)CNC1CCn2c1ncc2	MCULE-5420142780,EMOLS-id_318239007	317.376	VWTYQUDIYOIHRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074780
Fc1ccc(c(c1)F)C1(CCCC1)NCc1cnc2n1CCC2	MCULE-2865244576,EMOLS-id_318132398	317.376	SWAIDJKRKZBBJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074781
CC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCC2	EMOLS-id_50571345,PC-id_99794645,MCULE-4951138412,ZINC22_170610475	317.378	QEWKWVZYMGOBSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074782
COC(=O)c1coc2c1CN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C2	ZINC22_2325784041	317.38	WNARUIQUXXCWAW-DZGCQCFKSA-N	00100010100000000000000010000000000000000000000000000000	25-01-074783
COC(=O)c1coc2c1CN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C2	ZINC22_2325784042	317.38	WNARUIQUXXCWAW-HIFRSBDPSA-N	00100010100000000000000010000000000000000000000000000000	25-01-074784
COC(=O)c1coc2c1CN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C2	ZINC22_2325784043	317.38	WNARUIQUXXCWAW-UKRRQHHQSA-N	00100010100000000000000010000000000000000000000000000000	25-01-074785
COC(=O)c1coc2c1CN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C2	ZINC22_2325784044	317.38	WNARUIQUXXCWAW-ZFWWWQNUSA-N	00100010100000000000000010000000000000000000000000000000	25-01-074786
O(C1c2n(CC1)ccc2COC(=O)C=C(C)C)C(=O)C=C(C)C	PC-id_78173899	317.38	XZUVIHKTORWSNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074787
O(C(=O)/C=C(C)/C)[C@@H]1CCn2ccc(COC(=O)/C=C(/C)C)c12	PC-id_194088,MCULE-7645595722	317.38	XZUVIHKTORWSNQ-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074788
Cc1cc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)ccc1F	EMOLS-id_324849897	317.381	WLYXHMOBDHHEMV-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074789
CC(C)Cc1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324860133	317.381	FKJKBFRAJFKFSR-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074790
CCC(CC)c1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324851436	317.381	AOOXGRLFVCYGSD-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-074791
CCC(CC)c1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324852462	317.381	LWSKUTLWVWRCGA-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-074792
CCC(CC)c1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324850412	317.381	PGHCRPCWHCNXIQ-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-074793
Fc1ccc(cc1)N1CCC(C1=O)Sc1[nH]c2c(n1)CCC2	EMOLS-id_318658283	317.381	MTZKPLNYUAVHSL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074794
n12c(=O)c(=Cc3ccccc3F)sc1nc(C(CC)CC)n2	MCULE-4429218188	317.381	AOOXGRLFVCYGSD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074795
n12c(=O)c(=Cc3cccc(F)c3)sc1nc(C(CC)CC)n2	MCULE-9453957834	317.381	LWSKUTLWVWRCGA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074796
n12c(=O)c(=Cc3ccc(F)cc3)sc1nc(C(CC)CC)n2	MCULE-7452481241	317.381	PGHCRPCWHCNXIQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074797
n12c(=O)c(=Cc3ccc(F)c(C)c3)sc1nc(C(C)(C)C)n2	MCULE-7456882639	317.381	WLYXHMOBDHHEMV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074798
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)CC(C)C	MCULE-6426169402	317.381	FKJKBFRAJFKFSR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-074799
O=C1C(CCN1c1ccccc1F)Sc1[nH]c2c(n1)CCC2	EMOLS-id_318524248	317.381	RUDJKDNXFYSLPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074800
O=C(NN=C1CCn2c1ccc2)CCSc1ccc(cc1)F	EMOLS-id_44522136,PC-id_71899685,MCULE-1301135341	317.381	HJHJHKOCMSRMNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074801
OC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1ccccc1	PC-id_59180078,SCHEMBL2077165	317.381	KXRCLQUHJJXJHK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-074802
OC(=O)c1cc2c([nH]1)C(CC2)Cc1ccc(cc1)c1ccccc1	PC-id_59180183,SCHEMBL2074473	317.381	RWTYUQQCOCDGFI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-074803
OC(=O)c1cc2c([nH]1)CCC2Cc1ccc(cc1)c1ccccc1	PC-id_59180246,SCHEMBL1006534	317.381	XOPCFKYFJXJWHT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-074804
OC(=O)c1c(sc2c1CCC2)NC(=O)C(S(=O)(=O)C)C	PC-id_104517448	317.381	FFPAOZYJGFWESI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074805
OC(=O)C(c1ccc2n1CCC2)(c1ccccc1)c1ccccc1	PC-id_67855998,SCHEMBL9458619	317.381	SHHWMARTKGIBKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074806
OC(=O)C(C1CCn2c1ccc2)(c1ccccc1)c1ccccc1	SCHEMBL9458625,PC-id_67856000	317.381	DXDGBDLWSPYTKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074807
OC(=O)C(S(=O)(=O)C)(CCN1Cc2c(C1=O)scc2)C	SCHEMBL18587251	317.381	ANUAKAWMWXPDOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074808
OC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)scc2)C	SCHEMBL18588181	317.381	ANUAKAWMWXPDOH-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074809
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)C)C(=O)O	PC-id_43359876	317.381	VXJJSSUXGSGGRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074810
S(CCC(=O)N/N=C
/CCn2c1ccc2)c1ccc(F)cc1	PC-id_75362255	317.381	HJHJHKOCMSRMNZ-JXAWBTAJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074811
c1(CN(Cc2ccco2)C(=O)COCC)c2CCCc2n(C)n1	MCULE-4153610673,PC-id_86266514,EMOLS-id_50145204	317.383	CCBZWJDKBINALR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-074812
CC(C)COC[C@H](NC(=O)c1cn2c(n1)CCC2)c1ccco1	ZINC22_517150592	317.383	ROTPQZVTRJGHLH-AWEZNQCLSA-N	00000010101000000001000010000000000000000000000000000000	25-01-074813
CC(C)COC[C@@H](NC(=O)c1cn2c(n1)CCC2)c1ccco1	ZINC22_517150593	317.383	ROTPQZVTRJGHLH-CQSZACIVSA-N	00000010101000000001000010000000000000000000000000000000	25-01-074814
CC(COCC(c1ccco1)NC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_316907937,MCULE-3452537945	317.383	ROTPQZVTRJGHLH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-074815
O1C(CCCC1)c1oc(CN2Cc3n(ncc3C2)CCO)cc1	PC-id_77091663	317.383	LALCZENQDWUJRI-UHFFFAOYSA-N	00000010101010000001100010000000000000000000000000000000	25-01-074816
O=C1NCCN1CC1CCN(C(=O)c2occ3c2CCC3)CC1	MCULE-1072582626,PC-id_136566949,EMOLS-id_316946636,ZINC22_887652632	317.383	FFFREHXAZDRETR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074817
OCCn1ncc2c1CN(C2)Cc1ccc(o1)[C@@H]1CCCCO1	PC-id_99943574	317.383	LALCZENQDWUJRI-INIZCTEOSA-N	00000010101010000001100010000000000000000000000000000000	25-01-074818
OCCn1ncc2c1CN(C2)Cc1ccc(o1)[C@H]1CCCCO1	PC-id_99943575	317.383	LALCZENQDWUJRI-MRXNPFEDSA-N	00000010101010000001100010000000000000000000000000000000	25-01-074819
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C#N	PC-id_74696802	317.383	NJMKBXYBPXZXPL-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-074820
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C#N	PC-id_40558886	317.383	NJMKBXYBPXZXPL-MNOVXSKESA-M	00000010100010000000000010000000000000000000000000000000	25-01-074821
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C#N	PC-id_40558890	317.383	NJMKBXYBPXZXPL-QWRGUYRKSA-M	00000010100010000000000010000000000000000000000000000000	25-01-074822
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C#N	PC-id_40558894	317.383	NJMKBXYBPXZXPL-GHMZBOCLSA-M	00000010100010000000000010000000000000000000000000000000	25-01-074823
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C#N	PC-id_40558898	317.383	NJMKBXYBPXZXPL-WDEREUQCSA-M	00000010100010000000000010000000000000000000000000000000	25-01-074824
c1(cn2c(CCC2)n1)C(=O)N(c1ccccc1)Cc1ccccc1	EMOLS-id_321297116,MCULE-4210699028	317.384	HPSUHHQTDDFUSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074825
c1(C(=O)NC(c2ccccc2)c2ccccc2)c2CCCc2[nH]n1	EMOLS-id_335049696,MCULE-5015353910	317.384	XGDYCJXCRCOBQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074826
Cc1ccccc1c1ccccc1C(=O)N1Cc2cnn(C)c2C1	ZINC22_1569378847	317.384	BSPCVTCVOYVRRP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074827
Cn1ncc2c1CN(C(=O)Cc1ccc(c3ccccc3)cc1)C2	ZINC22_1298215000	317.384	XBYOGVJHKHZHFV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074828
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccn1	EMOLS-id_328224377,MCULE-6287995012	317.384	ZEAAJGFQMGZWEU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-074829
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccnc1	EMOLS-id_328224372,MCULE-9220338931	317.384	QLMZSDXITYDNGW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-074830
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccncc1	MCULE-7064240064,EMOLS-id_328222836	317.384	WPYZMMSQSWDROL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-074831
O=C(n1nc(c2c1CCC2)C)N(c1ccccc1)c1ccccc1	PC-id_3425384	317.384	WRZYXKPWNQVRBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074832
O=C(Nc1n(nc2c1CCC2)C)c1ccc(cc1)c1ccccc1	PC-id_45536266	317.384	VDZUHGFYNUCMFQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074833
c1(C(=O)N(CC)Cc2cnn(CC)c2)cc2n(C[C@@H](OC)C2)n1	MCULE-9722746204,EMOLS-id_316336989	317.386	MIKCHFRUVUMNGK-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074835
c1(NC(=S)NC(=O)c2ccco2)sc2c(CCC2)c1C#N	EMOLS-id_2332804,MCULE-3718525889,CoCoCo_595018,PC-id_786747,ZINC22_284393	317.386	DGPPMJDIRPQYOD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-074836
CC(CN1N=C(CCC1=O)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319185621	317.386	XLJLSENUJHAACX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074837
CC(CN1N=C(CCC1=O)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319317093	317.386	UFZAZLQKZHDSMJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074838
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1	ZINC22_65591366,PC-id_95156025	317.386	YVIPTFHZWFNFNS-GFCCVEGCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074839
CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CC(=O)N(CC2CC2)C1	ZINC22_65591367,PC-id_95156026	317.386	YVIPTFHZWFNFNS-LBPRGKRZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074840
COC1Cn2c(C1)cc(n2)C(=O)N(Cc1cnn(c1)CC)CC	MCULE-8256206046	317.386	MIKCHFRUVUMNGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074841
O=C1N(CC2CC2)CC(C1)C(=O)N(Cc1n2CCCc2nn1)C	EMOLS-id_35706586,PC-id_53517731,MCULE-6157291966	317.386	YVIPTFHZWFNFNS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074842
O=C1N(CC2CC2)CC(C1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_51079809	317.386	MKJKZXLZAPGJIC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074843
O=C1NCCCN1C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_101013824	317.386	LYOJHHPFNMJWPN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074844
O=C1NC(C(=O)N1Cc1nnc2n1CCC2)(C)C1CCCCC1	MCULE-1849999520,EMOLS-id_320275337	317.386	KXPNQOHLGLDDPD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074845
O=C(c1cnn2c1CCC2)N1CCC[C@@H](N2CCNCC2=O)C1	ZINC22_583563782	317.386	ATFVBHBMIJFQKE-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074846
O=C(c1cnn2c1CCC2)N1CCC[C@H](N2CCNCC2=O)C1	ZINC22_583563783	317.386	ATFVBHBMIJFQKE-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074847
O=C(C1NCc2c1c[nH]n2)NC1CCN(C1=O)C1CCCCC1	EMOLS-id_319952568,MCULE-9377248548	317.386	PYOBMWGNUDRXRW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074848
O=C([C@@H]1CC(=O)N(C1)CC1CC1)N[C@H](c1nnc2n1CCC2)C	PC-id_94173681	317.386	MKJKZXLZAPGJIC-CMPLNLGQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074849
O=C([C@@H]1CC(=O)N(C1)CC1CC1)N[C@@H](c1nnc2n1CCC2)C	PC-id_94173682	317.386	MKJKZXLZAPGJIC-ZYHUDNBSSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074850
O=C([C@H]1CC(=O)N(C1)CC1CC1)N[C@H](c1nnc2n1CCC2)C	PC-id_94173683	317.386	MKJKZXLZAPGJIC-JQWIXIFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074851
O=C([C@H]1CC(=O)N(C1)CC1CC1)N[C@@H](c1nnc2n1CCC2)C	PC-id_94173684	317.386	MKJKZXLZAPGJIC-PWSUYJOCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-074852
O=C(N1Cc2n(ncc2C1)CCO)CCc1c(n(nc1C)C)C	PC-id_70732093	317.386	RJRZYLWRQNUMIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074853
O=C(N1CCC(C2NCNC(=O)C2)CC1)c1n[nH]c2c1CCC2	PC-id_85480062	317.386	KWAPGZBXPFYOCQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074854
O=C(Nc1nc2c(s1)CCC2)c1cnc(c2ccco2)s1	PC-id_53552802,MCULE-9272362786,EMOLS-id_35768567,ZINC22_65623319	317.386	OMUYFPNXPWKEDI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-074855
s1c2CCCc2nc1NC(=O)c1noc(c1)c1sccc1	PC-id_33040973	317.386	PLQOSRBZGHXODT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074856
Cc1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324841197	317.389	ODFQTDNZABDDOP-WMZJFQQLSA-N	00000000100000000001000110000000000000000000000000000000	25-01-074857
CC(CCn1ccc(n1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319761821	317.389	ASLVJAITOCEEBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074858
CCCCn1ncc(c1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319234408	317.389	IUHBHSWHXMXHOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074859
CC(Cn1ncc(c1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319442102	317.389	HTUZVWLBIHUXDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074860
CCC(n1nc(cc1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319714192	317.389	NALIGHQVKIXJFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074861
CC(C)n1nc(CN(C)C)c2c1CN(C(=O)c1ncn(C)n1)C2	EMOLS-id_313733591,ZINC22_1565553989	317.389	IKZDZXWHTPRARU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074862
CCNC(=NCc1c(C)noc1C)NCc1nnc2n1CCC2	PC-id_119117060	317.389	QLTIHTOCFHSCDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074863
CN(C)C(=O)NCc1nn(C)c2c1CN(Cc1cncn1C)C2	EMOLS-id_44369760,PC-id_97519194,ZINC22_96259105	317.389	LUZGAZTWDJLXTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074864
CN(C)C(=O)NCc1nn(C)c2c1CN(Cc1cnn(C)c1)C2	ZINC22_96259104,EMOLS-id_44369758,PC-id_97519193	317.389	XZKYKSLGZBMYBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074865
CN=C(NCc1nnc2n1CCC2)NCc1onc(c1)C(C)C	PC-id_111584634	317.389	MFZODILKYUXHPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074866
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)C	MCULE-6671009604	317.389	ODFQTDNZABDDOP-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-074867
O=C(C(n1nnnc1C(C)(C)C)C)NCc1cnc2n1CCC2	EMOLS-id_318834562	317.389	KBBMRLCHLVPIIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074868
c1(C(=O)OCC)c2CCCc2sc1NCc1ccccc1O	ZINC22_521731,BAS-06105383,MCULE-8259835159,STOCK3S-86187,PC-id_930496,EMOLS-id_1476599,CoCoCo_345363	317.403	PQCGZECFSSKGOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074869
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@@H](C)[C@H]3C)cc1	PC-id_34179155,ZINC22_26897359	317.403	VLHKJWOJQBGFAX-OLZOCXBDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074870
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)[C@H]3C)cc1	ZINC22_26897357,PC-id_34179153	317.403	VLHKJWOJQBGFAX-CHWSQXEVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074871
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)[C@@H]3C)cc1	ZINC22_26897360,PC-id_34179156	317.403	VLHKJWOJQBGFAX-QWHCGFSZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074872
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@@H](C)[C@@H]3C)cc1	ZINC22_26897362,PC-id_34179158	317.403	VLHKJWOJQBGFAX-STQMWFEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-074873
CCCCOC(=O)C1CCn2c1ccc2C(=O)c1cccs1	PC-id_20356059,SCHEMBL11661950	317.403	UZFOKWYIMZKIMX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074874
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1cccs1)C)C	PC-id_20356136,SCHEMBL11662132	317.403	XEMYLSKXPBXRRO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074876
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(s1)C)C	SCHEMBL11658401,PC-id_20356173	317.403	LPKHXLJORSUKCI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074877
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccsc1)C)C	PC-id_20356169,SCHEMBL11660206	317.403	LKXQULFTUWPEEO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074878
CC(OC(=O)C1CCn2c1ccc2C(=O)c1sccc1C)C	PC-id_20356162,SCHEMBL11661878	317.403	QZGHITZREFSSMO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074879
CC(OC(=O)C1CCn2c1ccc2C(=O)c1scc(c1)C)C	SCHEMBL11660456,PC-id_20356183	317.403	BUCZIBCIJGVWPY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-074880
COc1cccc(c1)C(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_112294062	317.403	NLXSCJMWXLNBST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074881
COc1cc(C)c(NC(=O)c2cc3c(s2)CCC3)cc1OC	PC-id_17535282,MCULE-4731684807,EMOLS-id_16782731,CoCoCo_3314146,ZINC22_12756679	317.403	IAIITQCSEKQGDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074882
COCCOc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	EMOLS-id_177260793,ZINC22_121063206,MCULE-3791505430	317.403	LNIOJRNGBACLFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074883
n1(S(=O)(=O)c2ccc(C)cc2)c(C)cc2C(C)C(C)C(=O)c12	PC-id_12165070,MCULE-9194350561	317.403	VLHKJWOJQBGFAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074884
OC[C@@H](NC(=O)c1sc2c(c1)CCC2)Cc1ccc(cc1)O	PC-id_109939929	317.403	WOTGGKXBHHESDB-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074885
OCCOc1ccccc1CNC(=O)c1sc2c(c1)CCC2	PC-id_112292370	317.403	KGZZIWLGENZUMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074886
s1c2CCCc2cc1C(=O)Nc1cc(OC)c(OCC)cc1	PC-id_9501608	317.403	GBUBSIGWAMLOAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074887
s1c2CCCc2cc1C(=O)NCc1cc(OC)c(OC)cc1	PC-id_9268985	317.403	KPXQMKUPVXODST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074888
s1c2CCCc2cc1C(=O)NCCOc1ccc(OC)cc1	PC-id_8935203	317.403	OSOQTWUDWXGBQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074889
s1c2CCCc2cc1C(=O)NCCOc1c(OC)cccc1	PC-id_51157193	317.403	XTNOVTDBPNFNBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-074890
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)C)C	PC-id_4579913	317.403	CIXXGMBIXOAVII-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-074891
c1(cc2c(CCC2)s1)C(=O)N[C@@H]1CC[C@H]([C@@H]1O)n1ccnc1	BDE-33871403,MCULE-6051033622,ZINC22_257328057,EMOLS-id_48406663,PC-id_110127155	317.406	XDXZOXIEQIYMFL-LALPHHSUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074892
c1(C(=O)NCCc2sc3c(CCC3)n2)ccc(=O)[nH]c1CC	EMOLS-id_337695414,ZINC22_2100483292,MCULE-6002239185	317.406	JZIBFPPCKSLPRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074893
c1(NC(=O)C2CCN(CC2)C(=O)C)sc2c(CCC2)c1C#N	ZINC22_6730994,TIMTEC584877,EMOLS-id_2547660,MCULE-1946501055,PC-id_6468824,CoCoCo_1050535,ChEMBL-DNDi_CHEMBL9051412	317.406	YYECMWOKNKJAMW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-074894
c1(NC(=O)Cc2ccc(cc2)OCC)n(C)nc2CSCc12	ZINC22_1529151891,PC-id_134704320,MCULE-5339120203,EMOLS-id_316186079	317.406	GTXKLRHZBAXLSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074895
c1(NC(=O)CCc2ccccc2OC)n(C)nc2CSCc12	MCULE-7360704084,PC-id_60179781,ZINC22_72402081,STOCK7S-25893,EMOLS-id_36794937	317.406	JXIBPAYQVLXYTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074896
c1(NC(=O)CCc2ccc(cc2)OC)n(C)nc2CSCc12	STOCK7S-24121,ZINC22_72400321,PC-id_60177377,EMOLS-id_36791939,MCULE-7992523465	317.406	ODVCRTKYLUGTAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074897
c1(NC(=O)CCCOc2ccccc2)n(C)nc2CSCc12	EMOLS-id_316223555,ZINC22_1506415858,MCULE-5166988098	317.406	BCFHRUOYIKLHBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074898
c1(NC(=O)COc2ccc(cc2C)C)n(C)nc2CSCc12	EMOLS-id_334562485,MCULE-5238985633	317.406	RCVOEQHCQFHPNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074899
c1(NC(=O)COc2ccccc2CC)n(C)nc2CSCc12	MCULE-2023372886,EMOLS-id_334566322	317.406	ZKICTUTXOPJDLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074900
c1(NC(=O)COc2ccc(c(C)c2)C)n(C)nc2CSCc12	EMOLS-id_316243491,ZINC22_1506403562,MCULE-3286059024	317.406	QDBCRKPURYZDCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074901
c1(NC(=O)COc2cccc(C)c2C)n(C)nc2CSCc12	EMOLS-id_334562748,MCULE-5994103408	317.406	BORBDSLDYFZYGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074902
c1(NC(=O)CSc2ccc(cc2)OC)n(C)nc2CCCc12	PC-id_30859154,EMOLS-id_24910436,MCULE-5021116661,CoCoCo_5273033,ZINC22_23135722	317.406	HLIFAMDWHQBTKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074903
CC1CC(c2n1ccn2)NS(=O)(=O)c1cccc(c1)C1CC1	EMOLS-id_319038160	317.406	HOXDQXIMUWONIQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074904
CC1CN(C1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100235650	317.406	UXELSZQACPTTFJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-074905
Cc1c[nH]c([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	ZINC22_257318335	317.406	VNLQQCJGXCGYSZ-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074906
Cc1c[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	ZINC22_257318336	317.406	VNLQQCJGXCGYSZ-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074907
Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257344747	317.406	ZYNMIUBUGAWOTC-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074908
Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257344748	317.406	ZYNMIUBUGAWOTC-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074909
Cc1c[nH]c(n1)C1COCCN1C(=O)c1cc2CCCc2s1	BDE-32074247,MCULE-1384274330,PC-id_110105466,EMOLS-id_240171	317.406	ZYNMIUBUGAWOTC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074910
Cc1c[nH]c(n1)C1OCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_110105147,BDE-32073146	317.406	VNLQQCJGXCGYSZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074911
Cc1noc(C2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1	EMOLS-id_36929489,MCULE-9158940206,PC-id_56818669,ZINC22_53448298	317.406	VDJXEBYMNWXJMG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074912
Cc1noc([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1	PC-id_94640288,ZINC22_56131947	317.406	MJGWJMMWPKKFIH-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074913
Cc1noc([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_56131948,PC-id_94640289	317.406	MJGWJMMWPKKFIH-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074914
Cc1noc(n1)C1CCCN(C1)C(=O)c1sc2c(c1)CCC2	MCULE-1355059227,PC-id_56819185,EMOLS-id_36930651	317.406	MJGWJMMWPKKFIH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074915
CCc1nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1	PC-id_95779302,ZINC22_72299121	317.406	ZKGYROYFDCALOY-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-074916
CCc1nc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1	PC-id_95779303,ZINC22_72299122	317.406	ZKGYROYFDCALOY-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074917
CCc1onc(n1)C1CCCN1C(=O)c1sc2c(c1)CCC2	PC-id_72123843,EMOLS-id_42907993,MCULE-2733931837	317.406	ZKGYROYFDCALOY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074918
CC(C)N1CC(CC1=O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8765825133,EMOLS-id_322628928	317.406	QXHXCTVEBKJYMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-074919
CCS(=O)c1ccccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319650853	317.406	OMKNYHYDWBPBJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074920
Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc3c(s2)CCC3)cn1	EMOLS-id_316141335,ZINC22_190042619,MCULE-1671225306	317.406	TWQLEBSSMIPIBE-SWLSCSKDSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074921
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc2c(s1)CCC2	ZINC22_275321474,MCULE-1070323388,EMOLS-id_112025925	317.406	JCKOTLWRIZQGPB-FZMZJTMJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074922
Cn1nc2c(c1NS(=O)(=O)c1ccc(cc1)C1CC1)CCC2	EMOLS-id_318654129	317.406	UXXQWMJNGQRCKO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074923
COc1cccc(SCC(=O)NCc2n[nH]c3c2CCC3)c1	PC-id_91794862,MCULE-2803350641,ZINC22_223607191,EMOLS-id_55703192	317.406	ZMMJJIBLDHBRSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074924
COCCNC(=O)c1cc2c(s1)CCN2Cc1cccnc1	PC-id_95043552	317.406	HVFGMVSEACHUTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-074925
COC(=O)N(c1ccc(cc1)NCc1sc2c(n1)CCC2)C	EMOLS-id_318428130,MCULE-9115019188	317.406	LPSGUFOFTLQKOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074926
O=C(c1ccco1)N1CCC(CC1)Nc1sc2c(n1)CCC2	EMOLS-id_318599478	317.406	CIUITTVYXGJZJG-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-074927
O=C(c1ccc(s1)C1CCCO1)NCc1n[nH]c2c1CCC2	MCULE-5937284140,EMOLS-id_46032923,PC-id_72848439	317.406	MRSYMNYHQQVLCF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074928
O=C(c1ccc(s1)[C@@H]1CCCO1)NCc1n[nH]c2c1CCC2	PC-id_97112889	317.406	MRSYMNYHQQVLCF-ZDUSSCGKSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074929
O=C(c1ccc(s1)[C@H]1CCCO1)NCc1n[nH]c2c1CCC2	PC-id_97112890	317.406	MRSYMNYHQQVLCF-CYBMUJFWSA-N	00000010100100000001100010000000000000000000000000000000	25-01-074930
O=C(c1cnc2n1CCC2)NC1CCOC(C1)c1cccs1	EMOLS-id_318324321	317.406	OESYUVGNWCHMKE-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-074931
O=C(c1cnc2n1CCC2)N[C@@H]1CCO[C@H](C1)c1cccs1	EMOLS-id_318860378	317.406	OESYUVGNWCHMKE-DGCLKSJQSA-N	00000010100110000001100010000000000000000000000000000000	25-01-074932
O=C(c1cnn2c1CCC2)NC1CCOC(C1)c1cccs1	EMOLS-id_318217710	317.406	ZVIDVKLTBJOMDE-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-074933
O=C(c1cnn2c1CCC2)N[C@@H]1CCO[C@H](C1)c1cccs1	EMOLS-id_318803874	317.406	ZVIDVKLTBJOMDE-BXUZGUMPSA-N	00000010100110000001100010000000000000000000000000000000	25-01-074934
O=C(c1nn2c(c1)CCC2)NC1CCOC(C1)c1cccs1	EMOLS-id_318232196	317.406	FBZRERSQINPDGO-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-074935
O=C(c1nn2c(c1)CCC2)N[C@@H]1CCO[C@H](C1)c1cccs1	EMOLS-id_318787118	317.406	FBZRERSQINPDGO-BXUZGUMPSA-N	00000010100110000001100010000000000000000000000000000000	25-01-074936
O=C(c1occ2c1CCC2)NC1CCN(CC1)c1nccs1	EMOLS-id_318661544	317.406	IACGMVIQJUXGPM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074937
O=C(c1oc(nc1C)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181818,MCULE-9727085648	317.406	ZECMDXNCNQMGCH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-074938
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)Cc1ncon1	EMOLS-id_319012787	317.406	VHQQFXZYQKXCQM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074939
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)Cc1ncoc1	MCULE-1630345193,EMOLS-id_320217891	317.406	QDODWOHTGIVVCE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074940
O=C(c1sc2c(c1)CCC2)Nc1cc(nn1C)C1CCCO1	EMOLS-id_318686512	317.406	DDVXYESKNIKHKD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074941
O=C(c1sc2c(c1)CCC2)Nc1cnn(c1)C1CCCCO1	EMOLS-id_318405782	317.406	DKFUKXOECTYHBZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074942
O=C(c1sc2c(c1)CCC2)Nc1cnn(c1)CC1CCCO1	PC-id_87046371	317.406	WERJZPQWKGGLCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074943
O=C(Cc1ccc(cc1C)O)NCCc1cn2c(n1)SCC2	EMOLS-id_319580504	317.406	NQTCHNYJCAGEGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074944
O=C(Cc1ccc(cc1)S(=O)C)NCc1cnc2n1CCC2	MCULE-1132507825,EMOLS-id_320202765	317.406	CYMBKYWJWZWCPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074945
O=C(Cc1ccc(cc1)S(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318898883	317.406	OTMZNBIVXQRZAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074946
O=C(Cn1ccc(cc1=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318478893	317.406	VQWHTAYKWKCTRJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074947
OCCN(c1ccccc1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111543969	317.406	KBJXEWLTYZOXQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074948
O=C(N1Cc2c(C1)nc(o2)CN1CCCC1)Cc1cccs1	PC-id_97406071	317.406	YZKOZWVQQFGZNO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-074949
O=C(N1CCC(C1)c1ccco1)NCc1sc2c(n1)CCC2	EMOLS-id_318607330	317.406	FRAZQLMKSHTLME-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-074950
O=[S@@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccccc1	CoCoCo_4985199,PC-id_40566466	317.406	NUNPMFHINMQUHN-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074951
O=[S@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccccc1	PC-id_40566468,CoCoCo_4985200	317.406	NUNPMFHINMQUHN-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074952
O=S(=O)(c1ccc(cc1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318958553	317.406	KEBVSCAAYLYATK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074953
O=S(=O)(c1cccc(c1)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319445276	317.406	JYZZGSOAZNAYKS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074954
O=S(=O)(c1cnc2n1CCC2)N1CCCC1c1ccccc1	EMOLS-id_100182231	317.406	NIQUNUBEEXUWGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074955
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)c1ccccc1	EMOLS-id_100203288	317.406	VCBNPMGLDMQKCH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-074956
O=S(=O)(c1cnc2n1CCC2)N(c1ccccc1)CC1CC1	EMOLS-id_100240504	317.406	LOEOJHAJGJWHEY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074957
O=S(=O)(C[C@@H]1C[C@H]1Cc1ccccc1)N1CCn2ccnc12	ZINC22_2325782611	317.406	NQRVUHPYDQUVFF-CABCVRRESA-N	00100010100000110001000010000000000000000000000000000000	25-01-074958
O=S(=O)(C[C@@H]1C[C@@H]1Cc1ccccc1)N1CCn2ccnc12	ZINC22_2325782612	317.406	NQRVUHPYDQUVFF-GJZGRUSLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074959
O=S(=O)(C[C@H]1C[C@H]1Cc1ccccc1)N1CCn2ccnc12	ZINC22_2325782613	317.406	NQRVUHPYDQUVFF-HUUCEWRRSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074960
O=S(=O)(C[C@H]1C[C@@H]1Cc1ccccc1)N1CCn2ccnc12	ZINC22_2325782614	317.406	NQRVUHPYDQUVFF-LSDHHAIUSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074961
O=S(=O)([C@@H]1C[C@H]1c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319226383	317.406	NUPGQHUFXGAGID-XJKSGUPXSA-N	00100010100000110001100010000000000000000000000000000000	25-01-074962
O=S(=O)(N1Cc2c(C1)cn[nH]2)CC1CC1Cc1ccccc1	EMOLS-id_319801852	317.406	OXFYKVOYVPQMGJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-074963
s1c2CCCc2nc1CCNC(=O)C1C=C(C(=NC1=O)C)C	PC-id_78082328	317.406	GJDKZSWDBLLLRJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-074964
s1c2CCCc2nc1CCNC(=O)c1cc(c([nH]c1=O)C)C	PC-id_70756237	317.406	PUAQAXLTDOMZMH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074965
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1occc1	PC-id_44060324	317.406	GGVXISRTLCAPLK-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-074966
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C=Cc1occc1	PC-id_3336764	317.406	SYPGKAHURYOQPR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-074967
S1Cc2c(noc2NC(=O)Nc2ccc(C(C)(C)C)cc2)C1	PC-id_49719381	317.406	XFVYMCUEYJIMIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074968
s1c(c2n(C(N(O)C2(C)C)(C)C)c1=N)C(=O)c1ccccc1	PC-id_11120695	317.406	PFELFPNGYDOHPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074969
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1ccccc1	PC-id_2160313	317.406	NUNPMFHINMQUHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074970
s1c2CCCc2nc1NS(=O)(=O)c1sc(=O)[nH]c1C	PC-id_60724901	317.408	OXXLACHKBVBTOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074971
c12SCCn1cc(CNC(=O)N(C)CCc1ccccn1)n2	ZINC22_426707555,MCULE-5587864587,EMOLS-id_82741223,PC-id_119073991	317.409	YFUMGUIMGOFMIC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074972
c1(C(=O)Nc2nnc(C3CCCCC3)s2)c2CCCc2[nH]n1	MCULE-4072156006,EMOLS-id_323256499	317.409	RKGARPMDOFYZHQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074973
c
(=NC(=O)CCNc2nc(C)cc(C)n2)/sc2c(CCC2)[nH]1	ZINC22_79480001,MCULE-4238975399,PC-id_71709308,EMOLS-id_44207864,STOCK7S-32113,EMOLS-id_49394625	317.409	BAYBOOLYLWZUHF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074974
c1(snc2CCCc12)Nc1nccc(N2CCCC(O)C2)n1	MCULE-5680698506,EMOLS-id_337792123	317.409	LKPZJRAEJNWNPL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-074975
Cc1cnc(s1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111050920	317.409	KZOQKRZXGIBQFU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074976
Cc1csc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1	EMOLS-id_44536896,ZINC22_84268494,PC-id_71891679,MCULE-8547676283	317.409	ONJNHPNDXPXYQS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074977
Cc1n[nH]c(n1)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_319508533	317.409	BIRGDIACIIXWNO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-074978
CCc1nc(N)ncc1C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_319252856	317.409	RFTOLKIAJLYIHU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-074979
CCSc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319070351	317.409	POINCBWAALQBDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074980
CCSc1ccc(cn1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_48998360,PC-id_72024171,MCULE-1877919349	317.409	YTVVLLPFLJVNNK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074981
CCSc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cn1	PC-id_95247466,ZINC22_68757991	317.409	YTVVLLPFLJVNNK-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-074982
CCSc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cn1	PC-id_95247467,ZINC22_68757994	317.409	YTVVLLPFLJVNNK-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074983
Cn1cnc([C@@H]2CNC[C@H]2C(=O)Nc2nc3c(s2)CCC3)c1	EMOLS-id_316979527,MCULE-9276202082,ZINC22_1614995885	317.409	NHKOUACWGCKPKF-NXEZZACHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-074984
Cn1nc(c2c1CN(C2)Cc1nccs1)C(=O)N1CCCC1	PC-id_97462000	317.409	IQPCSJFTJJEHDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-074985
COc1ccc(cc1)NC(=NCCc1cn2c(n1)SCC2)N	PC-id_120363254	317.409	HPPDYCFPYAXGIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074986
COc1cccc(c1)NC(=NCCc1cn2c(n1)SCC2)N	PC-id_120363276	317.409	CGQQBOCSYNHFPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074987
CSc1cccc(c1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319379168	317.409	HMGMARASTWPYBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074988
CSc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319314689	317.409	CILOWSWDSQSXMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074989
CSCc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319504579	317.409	IUNFCQDMDVSORE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074990
CSCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319534345	317.409	GZOYQZUFGKWJBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074991
CSCc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319621000	317.409	PZQQYJNUYQPWIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074992
N#Cc1c(NC(=O)C2CCN(CC2)C2CC2)nc2n1CCS2	EMOLS-id_101243849	317.409	PHJQQCWKDAVPBF-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-074993
NC(=O)CCSc1ccccc1NC1CC(n2c1ncn2)C	EMOLS-id_279085642	317.409	XTQMOXCUUUFHIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-074994
O=C(c1cn2c(n1)CCC2)N1CCN(CC1)Cc1cncs1	EMOLS-id_319041574	317.409	MTXKBZVTNYRWAX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074995
O=C(c1cnn2c1CCC2)N1CCN(CC1)Cc1cncs1	MCULE-2635609015,EMOLS-id_320302733	317.409	FPMUPLAORQUKKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074996
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)Cc1nccs1	MCULE-6738672472,EMOLS-id_320065203	317.409	HYSLYUYVJNKCFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074997
O=C(c1ncccc1N(C)C)NCCc1cn2c(n1)SCC2	MCULE-8389425927,EMOLS-id_258075934	317.409	RLKCTCFRVABYGW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-074998
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1cncs1	EMOLS-id_319104867	317.409	POZHQBIJHRQQPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-074999
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1cscn1	EMOLS-id_98450837	317.409	BECUWGPFYYHSKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075000
O=C(c1n[nH]c2c1CCC2)Nc1ncc(s1)C1CCNCC1	MCULE-4431518591,PC-id_121833744,EMOLS-id_71947154	317.409	HHSSVNOVWOIQIA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075001
O=C(c1n[nH]c2c1CCC2)Nc1scc(n1)C1CCNCC1	EMOLS-id_102097955	317.409	LAMNSYZGMDRDIE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075002
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)Cc1[nH]nnn1	EMOLS-id_319141005	317.409	DHBOHCSRINACMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075003
O=C(c1sc(nc1C)NC1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319647235	317.409	QAJAXMIIDRSWOF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075004
O[C@H]1CCCN(c2ccnc(Nc3snc4c3CCC4)n2)C1	ZINC22_2356163628	317.409	LKPZJRAEJNWNPL-JTQLQIEISA-N	00000010100010100001100010000000000000000000000000000000	25-01-075005
O[C@@H]1CCCN(c2ccnc(Nc3snc4c3CCC4)n2)C1	ZINC22_2356163629	317.409	LKPZJRAEJNWNPL-SNVBAGLBSA-N	00000010100010100001100010000000000000000000000000000000	25-01-075006
O=C(N1Cc2c(C1)cnn2C)c1csc(n1)N1CCCCC1	EMOLS-id_278359298	317.409	JBFNPAPZDIFCSB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075007
O=C(N1CCCC1c1cccs1)NCc1nnc2n1CCC2	MCULE-7831182027,PC-id_53503250,EMOLS-id_35718964	317.409	RAIMKQJVYVNNKI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075008
O=C(N1CCCC1c1cscc1)NCc1nnc2n1CCC2	EMOLS-id_35718956,PC-id_53499883,MCULE-3002984951	317.409	MDEZICOLCHKZIS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075009
O=C(N1CCCC1Cn1cccn1)Nc1sc2c(n1)CCC2	EMOLS-id_318624029	317.409	KJAKEAHEPZJAND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075010
O=C(NC1CC(n2c1ncc2)C)Nc1scc(n1)C1CCC1	EMOLS-id_101433759	317.409	MHKYLVNSRJBPLR-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-075011
O=C(Nc1nc(C2CCNCC2)cs1)c1cnn2c1CCC2	ZINC22_333844806	317.409	OYRXWJHCSHPXKE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075012
O=C(Nc1sc2c(n1)C(CC2)(C)C)Nc1[nH]nc(c1)C1CC1	EMOLS-id_102007305	317.409	GSQVGKZLMUUAOJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-075013
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1cccnc1N	EMOLS-id_319096180	317.409	KEVOQTDOSBKLBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075014
O=C(NCc1nnc2n1CCC2)N1CCC[C@H]1c1cccs1	PC-id_94049239,ZINC22_45388760	317.409	RAIMKQJVYVNNKI-NSHDSACASA-N	00000010100100000001100010000000000000000000000000000000	25-01-075015
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1c1cccs1	ZINC22_45388764,PC-id_94049240	317.409	RAIMKQJVYVNNKI-LLVKDONJSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075016
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1c1ccsc1	PC-id_94049222,ZINC22_45387985	317.409	MDEZICOLCHKZIS-GFCCVEGCSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075017
O=C(NCc1nnc2n1CCC2)N1CCC[C@H]1c1ccsc1	ZINC22_45387981,PC-id_94049221	317.409	MDEZICOLCHKZIS-LBPRGKRZSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075018
O=C(NCc1nnc2n1CCC2)N(Cc1cccs1)C1CC1	EMOLS-id_35718946,ZINC22_45387396,PC-id_53499882,MCULE-9151309339	317.409	MKUVELXSCVZRKY-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-075019
c12SCCn1cc(CNc1cc(C3CC(C3)N)nc(N)n1)n2	PC-id_91774071,MCULE-2602933673,ZINC22_219871022,EMOLS-id_55642552	317.413	OMBOBIVZFYQJNQ-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-075020
s1c(NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)ncc1	PC-id_59702979	317.413	UFODMNVHOIYDMA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-075021
OC(=O)C1CCn2c1ccc2C(=O)C1CCC(CC1)C(C)(C)C	PC-id_139746971	317.423	JOIPZCNXSATFCU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075022
CC(OCCCNC(=O)c1sc2c(c1)CS(=O)(=O)C2)C	PC-id_3237359,ChEMBL-DNDi_CHEMBL1379880,CoCoCo_2175369,CHEMBL1379880,ChEMBL-DNDi_CHEMBLC771-0126	317.424	WPEMODFATBTXFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075023
Fc1cccc(c1)C1CNCCN1Cc1sc2c(n1)CCC2	EMOLS-id_318342865,MCULE-5159110988	317.424	JCIKZGRGOVHJMK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-075024
Fc1cccc(c1)[C@@H]1CN(C[C@H]1N)Cc1sc2c(n1)CCC2	EMOLS-id_318923024	317.424	XQJAUUGRXUUMHY-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075025
Fc1ccccc1N1CCC(C1)NCc1sc2c(n1)CCC2	MCULE-2359068535,EMOLS-id_318097952	317.424	JAMUSTAGYCLBBY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075026
Fc1ccc(N2CCN(Cc3nc4c(s3)CCC4)CC2)cc1	PC-id_136520625,MCULE-5805796329,ZINC22_678826784,EMOLS-id_316821908	317.424	KEVCPKUZFIKGQD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-075027
N[C@@H]1CN(C[C@H]1c1ccccc1F)Cc1sc2c(n1)CCC2	EMOLS-id_318776618	317.424	ANMDRKCCKFAANC-GXTWGEPZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075028
s1c2c(CCC2)cc1CNS(=O)(=O)CCCC(=O)OC	PC-id_61460271	317.424	KIGFBUWCPVWRGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075029
s1c2c(CCC2)c(c1NS(=O)(=O)C(C)C)C(=O)OCC	PC-id_64593129	317.424	WKCMEBPOKBVYNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075030
s1c2c(CCC2)c(c1NS(=O)(=O)CCC)C(=O)OCC	PC-id_64593131	317.424	SHTGRSQSPJPVPJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075031
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)CCC(C)C	PC-id_63855668	317.424	XXGFRLAGMQPBSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075032
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)CC(C)(C)C	PC-id_64480181	317.424	DBWACQGPMCARIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075033
CC1CCC(C(C1)C1CCCN1C(=O)c1cnn2c1CCC2)O	EMOLS-id_101294316	317.426	NEMKJBLBBVLHSQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075034
CC1CCC(C(C1)C1CCCN1C(=O)c1nn2c(c1)CCC2)O	EMOLS-id_101294331	317.426	FSHDNYKNBPQMDJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075035
CCC(=O)N1Cc2c(C1)cc([nH]2)OC1CCN(CC1)C1CCC1	PC-id_141320971	317.426	ZYXURXRPFXDLPB-UHFFFAOYSA-N	00001010100010000000100010000000000000000000000000000000	25-01-075036
CC(=O)CCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109908	317.426	FRDFNDCZHDWEOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075037
O=C(c1[nH]c2c(c1)CCC2)N1CCCC(C1)NC1CCOCC1	EMOLS-id_319784342	317.426	YTAOFKUWUVOYGG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075038
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)OC1CCCCC1	EMOLS-id_99040681	317.426	KOSQILCNCQNKKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075039
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1COCC1	PC-id_92109946	317.426	IQXNAIYVJKWKRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075040
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)Cc1occc1	PC-id_51927793	317.426	PZOZSXNXNPUYQC-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-075041
s1c2CCCc2cc1C(=O)NCc1sc(cc1)C#CCO	PC-id_64305174	317.426	PIODXGPGILWSBJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-075042
s1c2CCCc2cc1C(=O)NCc1scc(c1)C#CCO	PC-id_64305913	317.426	RRLDPXBBVZMKPR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-075043
s1c2CCCc2cc1C(=O)NCc1sccc1C#CCO	PC-id_80479532	317.426	GROBMUWXNJOYCV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-075044
CN(Cc1ccc(c2ccccc2)cc1)Cc1cnc2n1CCC2	ZINC22_2325757097	317.427	KVNTYLWTJTUJLL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075045
CN(CCNC(=O)c1cc2c(s1)CCN2S(=O)(=O)C)C	PC-id_95043469	317.428	JDDIPROSHIEALN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075046
OCC1CCCCN1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977970	317.428	NVMMPSIXDZWUGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075047
OCC1CCCN(C1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977993	317.428	VKORBMTVKKSZGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075048
OCC1CCN(CC1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977990	317.428	BTBLZGLDTNHZSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075049
O=S1CCN(C(C1C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184871	317.428	ISAHBVQRFJGMOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075050
c1(NC(=S)Nc2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_19166978,MCULE-7019017062	317.429	SZVCLTUNTVRXGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075051
CC1CC(CN1C(=O)NC1CC(n2c1ncc2)C)N1CCCC1	EMOLS-id_101422839	317.429	CHZUPYFUTQGUKA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075052
CC1CCC(N(C(=O)NCc2nnc3n2CCC3)C2CC2)CC1	ZINC22_95419063,MCULE-9779575045,PC-id_75382324,EMOLS-id_48265369	317.429	TYINITRWCXNATJ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-075053
CC1CN(CCN(C1)C(=O)NC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_101572884	317.429	ZRPSKBBDTSWHPI-UHFFFAOYSA-N	00100010100000000101100010000000000000000000000000000000	25-01-075054
CCC1(CCN(CC1)C(=O)C1NCc2c1c[nH]n2)N1CCCC1	EMOLS-id_319499991	317.429	ZRSFPTSNLPDEKY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075055
CC(c1scc(C(=O)Nc2c(C#N)c3c(CCC3)s2)n1)C	MCULE-3712265978,EMOLS-id_322837945	317.429	OZMFUQWRPWDPGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075056
CC(c1sc(C(=O)Nc2c(C#N)c3c(CCC3)s2)cn1)C	PC-id_75386286,ZINC22_95430930,EMOLS-id_48277692,MCULE-6759079595	317.429	JESGXPGWGOWUKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075057
CCCc1nc2s/c(=Cc3ccc(SC)cc3)/c(=O)n2n1	EMOLS-id_324847329	317.429	UFVPROHZZRRJQZ-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-075058
CC(C)[C@H](NC(=O)NC(C1CC1)C1CC1)c1nnc2n1CCC2	ZINC22_95953299,PC-id_97313196	317.429	KMZCGGFXSZDHHB-AWEZNQCLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075059
CC(C)[C@@H](NC(=O)NC(C1CC1)C1CC1)c1nnc2n1CCC2	ZINC22_95953300,PC-id_97313197	317.429	KMZCGGFXSZDHHB-CQSZACIVSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075060
CCN1CCC2N(C(C1)CC2)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101577141	317.429	RYMUAUOGPFIBHF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075061
CSc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1	EMOLS-id_324849386	317.429	UYXSGFNRHZBPOA-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-075062
n12c(=O)c(=Cc3ccc(SC)cc3)sc1nc(C(C)C)n2	MCULE-1131993263	317.429	UYXSGFNRHZBPOA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-075063
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)CCC	MCULE-2320496071	317.429	UFVPROHZZRRJQZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-075064
O=C(C1CN(C1)C1CCCCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_101530557	317.429	NZAHBCUIFJSNOI-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-075065
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)CCN1CCCC1	EMOLS-id_98346410	317.429	WVTKRQKIDRZFJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075066
O=C(N1CCC(C1)C1CCCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_102021823	317.429	VWZHHHLDFOVXPP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075067
O=C(N1CCC(C1C)N1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101574762	317.429	MHSHPCYYUAEQHR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075068
O=C(N1CCCC1CN1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101579361	317.429	NPDQONMDBGLNLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075069
O=C(N1CCCC1)N1CCCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_101413195	317.429	SQKLUTZTNYLYJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075070
O=C(N1CCC(C1)N1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101415645	317.429	RKUTYLRLXNFELD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075071
O=C(N1CCN(CC1)C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101581113	317.429	MCFWIZWJWRWRIJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075072
O=C(NC1C(C1)C1CCCCC1)NCCc1n2CCCc2nn1	PC-id_75378362,EMOLS-id_48254561,MCULE-7238618542	317.429	XMTVWMAVUQGUKA-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075073
O=C(NC1CC(C2CC2)CCC1)NCCc1n2CCCc2nn1	EMOLS-id_48254563,MCULE-8142808837,PC-id_75378363	317.429	XBMALZSUEXBWBF-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075074
O=C(NC1CC(n2c1ncc2)C)NCC1CCCCN1C1CC1	EMOLS-id_101375785	317.429	SXXANHPHCKLGQQ-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075075
O=C(NC1CC(n2c1ncc2)C)NCC1CCN(CC1)C1CC1	EMOLS-id_101378980	317.429	STCYYGKIOUVTTI-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075076
O=C(NC(C1CC1)C1CC1)NC(C(C)C)c1n2CCCc2nn1	PC-id_75420112,EMOLS-id_48785037,MCULE-6616015859	317.429	KMZCGGFXSZDHHB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075077
O=C(NCCc1nnc2n1CCC2)N[C@H]1CCC[C@H](C2CC2)C1	PC-id_97222773,ZINC22_95409962	317.429	XBMALZSUEXBWBF-KBPBESRZSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075078
O=C(NCCc1nnc2n1CCC2)N[C@@H]1CCC[C@@H](C2CC2)C1	PC-id_97222774,ZINC22_95409963	317.429	XBMALZSUEXBWBF-ZIAGYGMSSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075079
O=C(NCCc1nnc2n1CCC2)N[C@@H]1CCC[C@H](C2CC2)C1	ZINC22_95409961,PC-id_97222772	317.429	XBMALZSUEXBWBF-UONOGXRCSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075080
O=C(NCCc1nnc2n1CCC2)N[C@H]1CCC[C@@H](C2CC2)C1	ZINC22_95409964,PC-id_97222775	317.429	XBMALZSUEXBWBF-KGLIPLIRSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075081
O=C(NCCc1nnc2n1CCC2)N[C@H]1C[C@H]1C1CCCCC1	PC-id_97222768,ZINC22_95409957	317.429	XMTVWMAVUQGUKA-KBPBESRZSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075082
O=C(NCCc1nnc2n1CCC2)N[C@H]1C[C@@H]1C1CCCCC1	PC-id_97222769,ZINC22_95409958	317.429	XMTVWMAVUQGUKA-KGLIPLIRSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075083
O=C(NCCc1nnc2n1CCC2)N[C@@H]1C[C@@H]1C1CCCCC1	PC-id_97222771,ZINC22_95409960	317.429	XMTVWMAVUQGUKA-ZIAGYGMSSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075084
O=C(NCCc1nnc2n1CCC2)N[C@@H]1C[C@H]1C1CCCCC1	ZINC22_95409959,PC-id_97222770	317.429	XMTVWMAVUQGUKA-UONOGXRCSA-N	00100010100010000001100010000000000000000000000000000000	25-01-075085
s1c2CCCc2nc1NC(=O)c1sc(c(c1)C)C#CCN	PC-id_79998081	317.429	UKKBJHALCLRXCS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075086
s1c2CCCc2nc1NC(=O)C(c1ccccc1)C(=S)N	PC-id_62876889	317.429	ATVTXQGSHKJTFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075087
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)C1CC1	PC-id_119150045	317.432	RDDICWNJJKFZPK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-075089
CN=C(NC1CN(CC1C)C1CC1)NCc1nnc2n1CCC2	PC-id_120063379	317.432	POUDDGJICQIMML-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-075090
c12CN(Cc1n(nc2)CCO)Cc1ccc(C2CCCC2)s1	EMOLS-id_49876832,MCULE-3776143537,PC-id_77084496,ZINC22_215428415	317.449	QXUGMZAHOJVNJK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075091
c1(CN(C)Cc2ccc(C3CCCO3)s2)c2CCCc2[nH]n1	PC-id_74243076,EMOLS-id_49665376,MCULE-6875001639	317.449	UVVPJDLZCWDWNL-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075092
c1(NC(=O)CCCN2CCCCC2)sc2c(CCC2)c1C#N	MCULE-2833129491,EMOLS-id_8838779,PC-id_19578447,ZINC22_2769204	317.449	OZAOTAOMBBCBCH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075093
CC1CCCC(C)N1CC(=O)Nc1sc2CCCc2c1C#N	PC-id_24178286,CHEMBL1536177,BindingDB_PC-id_24178286,BindingDB-id_92230	317.449	RTOAGBRHOJXOLX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075094
CC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC22_22198208,PC-id_24588742,CoCoCo_4466697,MCULE-5097895279,EMOLS-id_31889600,CoCoCo_4466698	317.449	BJWPTTRNOSEPQP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075095
CC(c1nn2c(c1)CCC2)NC1CCOC(C1)c1cccs1	MCULE-6126958100,EMOLS-id_318107450	317.449	AGXGVQTZTGZSPV-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-075096
CC(c1nn2c(c1)CCC2)N[C@@H]1CCO[C@H](C1)c1cccs1	EMOLS-id_320022606	317.449	AGXGVQTZTGZSPV-LLQOJDTPSA-N	00000010100110000001100010000000000000000000000000000000	25-01-075097
C=C/C=CC(=C/C(CC)C)N(C(=O)c1cnc2n1CCS2)C	PC-id_139421461,SCHEMBL21280846	317.449	QEHWYNRIMNJWKK-LMEHAKNHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075098
C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	CoCoCo_4466511,PC-id_30099822,CoCoCo_4466512,ZINC22_22197672	317.449	RLKZMMSVABUIKM-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075099
C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	PC-id_30099820,ZINC22_22197671,CoCoCo_4466509,CoCoCo_4466510	317.449	RLKZMMSVABUIKM-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075100
C[C@H]1C[C@@H](C)CN(CC(=O)Nc2sc3c(c2C#N)CCC3)C1	CoCoCo_3567626,CoCoCo_3567625,PC-id_8931028,ZINC22_12683867	317.449	LUSYUOQSMYBSMD-TXEJJXNPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075101
C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2sc3c(c2C#N)CCC3)C1	CoCoCo_3567627,PC-id_8931033,ZINC22_7811971	317.449	LUSYUOQSMYBSMD-VXGBXAGGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075102
C[C@H]1C[C@H](C)CN(CC(=O)Nc2sc3c(c2C#N)CCC3)C1	PC-id_8931031,CoCoCo_3567628,ZINC22_7811970	317.449	LUSYUOQSMYBSMD-RYUDHWBXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075103
CCN(CCC(=O)Nc1sc2CCCc2c1C#N)CC(=C)C	PC-id_86915075,EMOLS-id_337899820	317.449	VCRJDPZSLXMLLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075104
Cn1ccnc1C(C1CCOCC1)NC1CCc2c1scc2	EMOLS-id_318644632,MCULE-1346616930	317.449	WDBFTGYXMJOSKA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075105
CN(Cc1ccc([C@@H]2CCCO2)s1)Cc1[nH]nc2c1CCC2	ZINC22_97655363,PC-id_97931139	317.449	UVVPJDLZCWDWNL-INIZCTEOSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075106
CN(Cc1ccc([C@H]2CCCO2)s1)Cc1[nH]nc2c1CCC2	ZINC22_97655364,PC-id_97931140	317.449	UVVPJDLZCWDWNL-MRXNPFEDSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075107
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1	MCULE-2843342530,CoCoCo_3565013,PC-id_4818314,CoCoCo_3565012,EMOLS-id_13481376,ZINC22_7786665	317.449	AMLLMORKSUSTAG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075108
N#Cc1c(NC(=O)CCN2CCCC(C2)C)sc2c1CCC2	MCULE-6644434722,EMOLS-id_31889598,PC-id_24588588	317.449	RLKZMMSVABUIKM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075109
N#Cc1c(NC(=O)CCN2CCCCCC2)sc2c1CCC2	ZINC22_40024979,MCULE-9850560893,PC-id_45863037,EMOLS-id_31889596,CoCoCo_4466420	317.449	UBEXTMASNDKWLO-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-075110
N#Cc1c(NC(=O)C(N2CCC(C2)(C)C)C)sc2c1CCC2	EMOLS-id_111216772	317.449	PJEGSTPDUDHDCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075111
N#Cc1c(NC(=O)C(N2CCC(C2C)C)C)sc2c1CCC2	EMOLS-id_111615405	317.449	OTUDZEHZJODDFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075112
N#Cc1c(NC(=O)C(N2CCCC(C2)C)C)sc2c1CCC2	EMOLS-id_110847087	317.449	GUBXHYMFYOTCOY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075113
N#Cc1c(NC(=O)C(N2CCC(CC2)C)C)sc2c1CCC2	EMOLS-id_110847163	317.449	NBUHXVVQAOBHSC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075114
N#Cc1c(NC(=O)C(N2CCCCCC2)C)sc2c1CCC2	EMOLS-id_110847038	317.449	KSEAJAOXQGWURN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-075115
N#Cc1c(NC(=O)CN2CC(C)CC(C2)C)sc2c1CCC2	EMOLS-id_3664036,PC-id_16297763,MCULE-8437901565	317.449	LUSYUOQSMYBSMD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075116
OCC(Cc1ccccn1)CNC(c1sc2c(n1)CCC2)C	PC-id_109908801	317.449	VTVYEIXDOJAOJR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075117
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)C)C#N	PC-id_51302623	317.449	KIRDMBUSJJQMMY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075118
s1c2c(CCC2)c(c1NC(=O)CCN(C1CCCC1)C)C#N	PC-id_51303290	317.449	MJZVQOBQFJZZAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075119
s1c2c(CCC2)c(c1NC(=O)CN1CCCCCCC1)C#N	PC-id_2655338	317.449	XZDBBHKFEJXGKG-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-075120
CC1CCC(C(C1)n1ncnc1)NCc1sc2c(n1)CCC2	MCULE-2365534111,EMOLS-id_318444190	317.452	CFEQSSOWUIILDW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075121
CC(c1nn2c(c1)CCC2)NC1CCN(CC1)c1nccs1	MCULE-5413171593,EMOLS-id_318051750	317.452	UPSGUPUVIQBZKY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075122
c1(C(=O)NC2CCCCCCCCCCC2)c2CCCc2[nH]n1	MCULE-7381947427,EMOLS-id_335063011	317.469	URPGMEFXWIONEP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075123
CC1CCC(C(C1)C1CCCCN1Cc1nn2c(c1)CCC2)O	EMOLS-id_317990729	317.469	AVWLUHPHAUFWQU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075124
CCC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)CC	PC-id_92109730	317.469	RMWISLUBEROFOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075125
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CC(C)(C)C	PC-id_92109729	317.469	YLETXOVQXSNRCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075126
s1c2CCCc2cc1C(=O)NCCSCc1ccccc1	PC-id_9470293	317.469	DTFVUKQNCCGQFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075127
CCCNCCCCS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053369	317.471	ILDJGUOJSWEMLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075128
CC(NCCCCS(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053332	317.471	CDTBGAPGLGDDRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075129
CCNC(c1sc2c(c1)CCC2)Cc1nc2n(c1)ccs2	PC-id_105023759	317.472	DCZGCWWPVGAISD-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-075130
s1c2c(CCC2)cc1CNCc1n2c(scc2C)nc1C	PC-id_61206842	317.472	DXQGGODLEFHDRA-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-075131
s1c2c(CCC2)cc1CNCc1n2c(sc(c2)C)nc1C	PC-id_61208162	317.472	ZQBBTMFJOVDBLR-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-075132
CNCC1CCN(CC1)C(=NC=C)c1c(C)sc2c1CCC2	PC-id_144415529	317.492	DWURVLXJVPRUEN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075133
s1c(CNC(C2CCCC2)c2sccc2)cc2c1CCC2	PC-id_61207412	317.512	AQOJEDMRPLGNKN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-075134
ClC(c1sc2c(CCC2)c1)c1cc(Cl)c(Cl)cc1	PC-id_63436452	317.661	BIOHPWAFAQTJMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075135
ClC(c1sc2c(CCC2)c1)c1c(Cl)ccc(Cl)c1	PC-id_55197569	317.661	SUKRCSOUGCGUFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075136
ClC(c1sc2c(CCC2)c1)c1c(Cl)cc(Cl)cc1	PC-id_63444155	317.661	RZYLZZUQOGILDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075137
FC(F)(F)c1cnc(NCc2nnc3n2CCC3)c(Cl)c1	PC-id_39830892,MCULE-1192554546,ZINC22_32590506,EMOLS-id_25616755,CoCoCo_1597501	317.697	UYQQMIXXXOSNSE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075138
Clc1c(c2n(Cc3n4CCCc4nn3)ccn2)c(F)ccc1	PC-id_56873192	317.749	MWXYVLHRGOAGQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075139
Fc1ccc(cc1Cl)c1ccnn1Cc1nnc2n1CCC2	EMOLS-id_319763027	317.749	JQQSQQLWVQXBNG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075140
Clc1sc2CCC(Nc3c(cccc3)C(F)(F)F)c2c1	PC-id_81252563	317.757	OYQNKFIDMHYYMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075141
Clc1sc2CCC(Nc3cc(ccc3)C(F)(F)F)c2c1	PC-id_81252666	317.757	SNDSDEUWWAZRQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075142
Clc1sc2CCC(Nc3ccc(cc3)C(F)(F)F)c2c1	PC-id_81252980	317.757	WYPZAZFAUMLOCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075143
CCC1C(=O)Oc2c1n(C)c(c2)C(=O)c1ccc(c(c1)Cl)C	SCHEMBL7675490,PC-id_54287534	317.767	RVEUSPQBRVUWIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075144
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)Cl	PC-id_20528124,SCHEMBL11273975	317.767	IQZHKCDBKLGJLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075145
Clc1c2n(CCC2C(=O)O)c(c1C)C(=O)c1ccc(cc1)C	PC-id_20405056,SCHEMBL11007009	317.767	DOZTUUNUSATNJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075146
Clc1c2n(CCC2C(=O)OC)c(c1C)C(=O)c1ccccc1	PC-id_20405016,SCHEMBL11007114	317.767	OXHGOCOHDMJTGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075147
Clc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1ccc(cc1)C	SCHEMBL11006250,PC-id_20405014	317.767	TYLBWFLPQKJORX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075148
Clc1cc2n(CCC2(C)C(=O)OC(=O)c2cc(ccc2)C)c1	PC-id_20528123	317.767	YVQRNTOJLOAXTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075149
Clc1cc2n(CCC2(C(=O)c2cc(ccc2)C)C(=O)OC)c1	SCHEMBL11259833,PC-id_70548446	317.767	BDAABFZHSDWSGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075150
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1cc(ccc1)C	PC-id_20528154,SCHEMBL11268686	317.767	PWRJMKVJWFBXAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075151
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1c(cccc1)C	SCHEMBL11259836,PC-id_20528157	317.767	JPWOZIXYYJRAKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075152
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(cc1)C	SCHEMBL11279523,PC-id_13068185	317.767	QRJGCVCBDVOVRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075153
ClCCOC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_102304607	317.767	SSWSZMRCIWEHKK-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075154
Clc1cccc(c1)C1CC(C1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318028818	317.77	KBRJDBVBOXGABZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-075155
Clc1ccc(cc1)C1(CCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318290210	317.77	RBWBRIHPRNPQIF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-075156
Clc1ccc(cc1)[C@@H]1C[C@H](C1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318780973	317.77	USKVBOFGIHOPHE-AULYBMBSSA-N	00001010100000110001100010000000000000000000000000000000	25-01-075157
Clc1ccccc1OC1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318657098	317.77	IAWGZGMXCLVJSP-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-075158
O=C(c1nn2c(c1)OCC2)N[C@@H]1C[C@H](C1)c1ccccc1Cl	EMOLS-id_318878613	317.77	BKVPUQKWFOLTQC-XYPYZODXSA-N	00001010100000110001100010000000000000000000000000000000	25-01-075159
Clc1sc(CN2CCn3c2c(sc3=N)[N+](=O)[O-])cn1	PC-id_76322836	317.775	WDHYASYSCSEXMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075160
FC(Cn1ncc(c1)CNC1CCc2c1cc(s2)Cl)F	MCULE-5904339800,EMOLS-id_316853872	317.785	KRFDGCPFDVQFFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075161
FC(F)Cn1cc(CN[C@H]2CCc3sc(Cl)cc23)cn1	ZINC22_353573305	317.785	KRFDGCPFDVQFFQ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-075162
FC(F)Cn1cc(CN[C@@H]2CCc3sc(Cl)cc23)cn1	ZINC22_353573306	317.785	KRFDGCPFDVQFFQ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075163
c12CN(Cc1sc(Cl)c2C(=O)OC)C(=O)OC(C)(C)C	MCULE-4697328009,EMOLS-id_331066660	317.788	ROKKBLMNESFSKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075164
CC(C)(C)OC(=O)N1Cc2cc(sc2C1)C(=O)OCCl	EMOLS-id_189875004,MCULE-5372151720	317.788	AYOBHQNJNFRTKB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075165
c1(cc(ccc1Cl)N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3760840127,PC-id_61116924,EMOLS-id_328049612	317.793	IBCFGVNUMNVNDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075166
c1(cccc(Cl)c1N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4644143519,PC-id_115540203,EMOLS-id_328142389	317.793	VSSUUHMSGHJTEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075167
c1(ccc(N)cc1Cl)C(=O)Nc1sc2CCCc2c1C#N	PC-id_61116927,MCULE-2675739343,EMOLS-id_327892514	317.793	YXBMRCNMWLBFOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075168
c1(NC(=O)Nc2ccccc2Cl)sc2c(CCC2)c1C#N	PC-id_35523838,MCULE-9075830881,EMOLS-id_15293436,ZINC22_28225739,CoCoCo_6452927	317.793	UHMMWKLGNLXKMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075169
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	ZINC22_134157,EMOLS-id_1301393,SPECS-id_AT-084/J160365,TIMTEC107551,PC-id_726229,MCULE-8283113168,SPECS-id_AN-153/I129541,CoCoCo_5856214	317.793	CRRDEXSVCKPLSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075170
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)c1C#N	CoCoCo_531723,PC-id_934955,MCULE-6222633921,STOCK2S-71104,EMOLS-id_2491084,ZINC22_528419	317.793	NCEIABIHNRITDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075171
Clc1cc(C(=O)Nc2sc3CCCc3c2C#N)ccc1N	PC-id_64320139	317.793	KLXRYAIJDIZDCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075172
Clc1cc(C(=O)Nc2sc3CCCc3c2C#N)cc(N)c1	PC-id_81552376	317.793	UAMUWBVVMFHQBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075173
Clc1cc(N)c(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_61116926	317.793	QUFYWSHBEFFHQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075174
Clc1c(CNC(=O)C2CCc3ncsc23)cccc1C#N	BindingDB_PC-id_78318353,BindingDB-id_412903,PC-id_78318353,SCHEMBL15903772	317.793	BSMTYAKXFBCJAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075175
Clc1c(C(=O)Nc2sc3CCCc3c2C#N)cnc(c1)C	PC-id_81228236	317.793	WEFIGDYSPTVUCY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-075176
Clc1c(C(=O)Nc2sc3CCCc3c2C#N)c(N)ccc1	PC-id_63658058	317.793	RJAQWEZPXDKFMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075177
Clc1c(N)cc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_61116922	317.793	MCBYLAXLAJFJRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075178
Clc1sc2CCC(Nc3ccc(cc3)c3ocnn3)c2c1	PC-id_81235625	317.793	LBZSZONELPVZMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075179
Clc1sc2CCC(Nc3cc(ccc3)c3ocnn3)c2c1	PC-id_81235626	317.793	KPWHPHYRNHAEOV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075180
C(=O)(Nc1sc2CCCc2c1C#N)c1cc(Cl)ccc1N	MCULE-6770738399,EMOLS-id_328084785,PC-id_61117035	317.793	XJGPAUMGYNZZEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075181
N#Cc1cc(ccc1Cl)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318377886	317.793	BXTGIHFUMVURLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075182
N#Cc1ccc(cc1Cl)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318749163	317.793	GPUGRPLOVSIBPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075183
N#Cc1ccc(c(c1)C(=O)NCc1sc2c(n1)CCC2)Cl	EMOLS-id_318568892	317.793	MTPYNFBLMMSGRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075184
N#Cc1c(NC(=O)c2cccc(c2Cl)N)sc2c1CCC2	PC-id_115930247	317.793	RMLPHJOJIIMDPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075185
N#Cc1c(NC(=O)c2cc(C)nc(c2)Cl)sc2c1CCC2	PC-id_104122374	317.793	JLJVBVGQCXBXBL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-075186
Clc1sc2CCC(Nc3cc(ccc3)c3n[nH]nn3)c2c1	PC-id_81233748	317.797	UHHUMIKRIRERJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075187
Clc1sc2CCC(Nc3ccc(n4nnnc4)cc3)c2c1	PC-id_81235080	317.797	DMFSEEKVSXHCCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075188
Clc1sc2CCC(Nc3ccc(nc3)n3ncnc3)c2c1	PC-id_81234659	317.797	LXQUJGPYYZELFV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-075189
Clc1sc2CCC(Nc3cc(n4nnnc4)ccc3)c2c1	PC-id_81234369	317.797	SCYAUWHLSKQLKG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075190
Clc1sc2CCC(Nc3c(n4ncnc4)nccc3)c2c1	PC-id_81246422	317.797	KEDLCJNHOFRCAN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-075191
Clc1sc2CCC(Nc3c(n4nnnc4)cccc3)c2c1	PC-id_81233608	317.797	DLYPQJAWERNEOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075192
c1(CNC(=O)CCc2cccc(Cl)c2)c2CCCc2nn1C	ZINC22_225817887,PC-id_91819386,EMOLS-id_53884641,MCULE-3181752394	317.813	VAISPXOSZHQTGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075193
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(CC)c2)Cl)n1	MCULE-4151712908,EMOLS-id_331036939	317.813	NZYPDSQJMWKTEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075194
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(CC)c1)Cl	EMOLS-id_331018933,MCULE-7990258439	317.813	UPJXQLJNDOWLCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075195
Clc1ccc(cc1)C(CNC(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_318425599	317.813	QVEUQBSLXPSJPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075196
Clc1cccc(c1)C(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_319565188	317.813	JVPZJXCRMDVRHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075197
Clc1ccc(cc1)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_318975607	317.813	GNFNELOQPGOUEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075198
Clc1cccc(c1)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	MCULE-1593254307,EMOLS-id_320290058	317.813	BLZLUHPYXSJYKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075199
Clc1ccc(cc1)[C@@H]1OCC[C@H]1NC1CC(n2c1ncc2)C	EMOLS-id_319981511,MCULE-4401137579	317.813	JWNDHTNARJBAHS-AJKIITOLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075200
Clc1ccc(cc1)[C@@H]1OCC[C@H]1NCc1cnc2n1CCC2	EMOLS-id_320062464,MCULE-1513699312	317.813	NENREMWLRQSVDB-WBVHZDCISA-N	00000010100000110001100010000000000000000000000000000000	25-01-075201
ClCC(=O)N(c1cccc(c1)C)Cc1n(C)nc2c1CCC2	MCULE-8657426646	317.813	LIUGIRPJIYAUMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075202
O=C(c1ccc(c(c1)Cl)C(C)C)NCc1cnc2n1CCC2	MCULE-4677960955,EMOLS-id_320057493	317.813	SZAXXCDHFNUPIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075203
O=C(C(c1ccccc1Cl)(C)C)NCc1cnc2n1CCC2	MCULE-8189069930,EMOLS-id_320311838	317.813	LJMIMCQDWCFBRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075204
O=C(C(c1ccccc1Cl)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318850914	317.813	ZZDGQWQLNYMGPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075205
O=C(C(Cc1cccc(c1)Cl)C)NCc1cnc2n1CCC2	EMOLS-id_319191240	317.813	HNOJMAPZNKOWTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075206
O=C(C(Cc1ccccc1Cl)C)NCc1cnc2n1CCC2	EMOLS-id_319654823	317.813	RAQFQXCZYPQTJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075207
O=C(C(Cc1cccc(c1)Cl)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320219290,MCULE-8502246933	317.813	SZFZZHNOAYFLFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075208
O[C@@H]1CCN([C@@H]1c1ccc(cc1)Cl)Cc1cnc2n1CCC2	EMOLS-id_318908691	317.813	BCEXWHQGOGKWJJ-NVXWUHKLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075209
O[C@@H]1CCN([C@@H]1c1ccc(cc1)Cl)Cc1nn2c(c1)CCC2	EMOLS-id_318954995	317.813	LFXDHQMPIYDJHL-IAGOWNOFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075210
O=C(NCc1cnc2n1CCC2)CCc1ccc(c(c1)Cl)C	EMOLS-id_319420929	317.813	ADLBXWVYLSEVMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075211
Clc1ccc(s1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320547	317.815	QYBVLSJLXGGHOZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075212
Clc1ccc(s1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318544130	317.815	OEWZKKGWUICCIF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075213
Clc1ccc(s1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319236530	317.815	WEBSYOWZMPAEQR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075214
Clc1ccsc1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101317258	317.815	XIEODXFDNKXDLP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075215
Clc1ccsc1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319559365	317.815	SOPZCJSUSGZHQV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075216
Cn1nc2c(c1NS(=O)(=O)c1sccc1Cl)CCC2	EMOLS-id_101340974	317.815	SHQDDLSNMHARML-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075217
Clc1ccc(cc1)N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318476910	317.817	KUCDXJUFPXEKTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075218
Clc1cccc(c1)N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318571622	317.817	HQKWDQFRGPDSEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075219
Clc1c(C2CC(NCc3sc4c(CCC4)c3)C2)cccc1	PC-id_63452840	317.876	JWFOYXMAPGOFJT-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-075220
Clc1cc(C2CC(NCc3sc4c(CCC4)c3)C2)ccc1	PC-id_63452884	317.876	WHZQVLXUQYIPKK-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-075221
Clc1ccc(C2CC(NCc3sc4c(CCC4)c3)C2)cc1	PC-id_63452842	317.876	SSFHXSGGUUEHAH-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-075222
Clc1ccc(C(NCc2sc3c(CCC3)c2)C2CC2)cc1	PC-id_61206666	317.876	DFWPMFMCEWHTGW-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-075223
FC1(F)Cc2c(C1)c(sc2Br)Br	PC-id_144503800	317.976	UEPRQUFYBSXHNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075224
FC1(F)OC(F)(F)c2c1c(oc2C(F)(F)F)C(F)(F)F	PC-id_85841241	318.068	PBBLHFCUHHFLEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075225
Brc1sc(Br)c2SCSc12	7204726_OpenMolecule,CT-id_7204726,PC-id_85884189	318.072	AWWUCNGQOSHVKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075226
C[C@@H](C(F)(F)F)NC(=O)C(=O)C1=CC(=C2N1CCC2)C(=O)O	PC-id_154663306	318.083	JTHFURMOHYIPGS-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-075227
C[C@H](C(F)(F)F)NC(=O)C(=O)C1=CC(=C2N1CCC2)C(=O)O	PC-id_154663333	318.083	JTHFURMOHYIPGS-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075228
COC1=C(C2=C(N1)OC(O2)(O)OC3=CC=CC=C3)OCCC#N	PC-id_150403012	318.085	HEDXNKVEICHBQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075229
ClC1(Cl)C(NC(=O)C(F)(F)F)c2c(scc2)C1=O	PC-id_14144507	318.1	DNRAXSUPNIAXKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075230
CC1(C2=C(C(=N1)C=O)C(=NN2)NC3=NC(=NC=C3F)COC)C	PC-id_150354575	318.124	FFBSQEPEKJSJMW-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-075231
CN(C)C1=NC=NC(=C1)NC(=O)NCC2=NC3=C(S2)CCC3	EMOLS-id_317376010,PC-id_154770341,MCULE-8604534395	318.126	CSOYCPHCHCZALC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075232
F[C@@H]1COC[C@@H]1NC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319123070	318.142	FQCHXOAAWPURRU-RQJHMYQMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075233
CN1C=NC=C1C2CC(CCO2)NCC3=NC4=C(S3)CCC4	PC-id_154744869	318.151	IAYVYSOBXHMLDY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075234
Clc1c2S(=O)(=O)N(C(O)c2sc1Cl)C(=O)OC	PC-id_16639003	318.154	KXQJFJYDSLODGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075235
N#Cc1cc(Br)ccc1NCc1nnc2n1CCC2	EMOLS-id_318646725,MCULE-5999309885	318.172	UZXUFQNHTZUHBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075236
N#Cc1ccc(c(c1)Br)NCc1nnc2n1CCC2	EMOLS-id_318438435,MCULE-1193325357	318.172	JZLYDXARYYLSSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075237
N#Cc1ccc(cc1Br)NCc1nnc2n1CCC2	EMOLS-id_318711768,MCULE-5991848006	318.172	KZTVMEFOXSAODJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075238
N#Cc1c(cccc1Br)NCc1nnc2n1CCC2	EMOLS-id_318728470,MCULE-9567276914	318.172	FJYIYFFYPBHAEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075239
N#Cc1ccc(cc1NCc1nnc2n1CCC2)Br	EMOLS-id_318376352,MCULE-9323308479	318.172	GJQZVPQLSMXXKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075240
N#Cc1cccc(c1NCc1nnc2n1CCC2)Br	MCULE-4976578571,EMOLS-id_318573550	318.172	USBUMDGBZCKPEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075241
BrCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_39934013,PC-id_63680800	318.187	OQPZDQWHAIPHOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075242
c12CCC(C)c1c(nn2C(CC)CC)I	MCULE-7823546818,EMOLS-id_330983157	318.197	MSKPUXOAIHTAKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075243
c12C(C)CCc1n(nc2I)CCC(C)C	MCULE-5967974865,EMOLS-id_330984691	318.197	CZGGNCRRZCFNES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075244
c12C(C)CCc1nn(CCC(C)C)c2I	MCULE-9731225378,EMOLS-id_330965941	318.197	IUDIWGIJXMDPDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075245
c1(I)c2C(C)CCc2nn1C(CC)CC	EMOLS-id_330968246,MCULE-4423774880	318.197	GKJIZAJOMQODOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075246
CC1CCc2c1c(I)nn2CC(C)(C)C	MCULE-4140472244,EMOLS-id_330982645	318.197	VFLFBFUFNOIMHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075247
CC1CCc2nn(CC(C)(C)C)c(I)c12	EMOLS-id_330967990,MCULE-4326338693	318.197	YKIOWXVFGQUBKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075248
CC(C)C(C)n1nc2CCC(C)c2c1I	MCULE-5214658992,EMOLS-id_330964924	318.197	MIPFPJPLHSVKKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075249
CC(C)C(C)n1nc(I)c2C(C)CCc12	EMOLS-id_330982901,MCULE-3273510469	318.197	JFIIDZPYQCMSAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075250
CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C2=NNC3=C2CCC3	PC-id_154773993,MCULE-1030428765,EMOLS-id_110606817	318.206	QESNQQHAOOISBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075251
Cc1ccc(cc1)C(=O)c1c(C)c(c2n1CCC2)Br	PC-id_145801688	318.208	RNDYLUJUNOMDFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075252
Brc1cccc(c1)C1(CC1)NC1CCn2c1ncc2	EMOLS-id_318404488,MCULE-9170859436	318.212	BNYNTLCWSJQYDM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075253
Brc1ccccc1C1(CC1)NC1CCn2c1ncc2	MCULE-8386448031,EMOLS-id_318663697	318.212	CMHXJGKFBHXQEA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075254
Brc1ccc(cc1)C=CCNC1CCn2c1ncc2	EMOLS-id_318366014,MCULE-7151656362	318.212	XIFRBXHFHWSZDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075255
Brc1sc2c(C(N(C2)C(=O)OC(C)(C)C)C)c1	PC-id_69863825,SCHEMBL6681888	318.23	HOCOULXLQRCYKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075256
BrCCOCCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_315063941,PC-id_114309307	318.23	WQUSITMGRXNWGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075257
c12c(CBr)csc1CN(C(=O)OC(C)(C)C)C2	MCULE-9902828742,EMOLS-id_331064610	318.23	DDTNJJPEGPJBHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075258
COCC(CNC(=O)c1sc2c(c1)CCC2)Br	EMOLS-id_314248354,PC-id_114309917	318.23	LOBCVJKKDILXJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075259
COCCN1C(=O)c2c(C1(C)CC)sc(c2)Br	SCHEMBL19350385	318.23	LQORFFYYXNRHDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075260
COC(CN1C(=O)c2c(C1(C)C)sc(c2)Br)C	SCHEMBL19350407	318.23	VNIYFSRUWCAJFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075261
COCC(NC(=O)c1sc2c(c1)CCC2)CBr	PC-id_106184346	318.23	HNUUWSPYSKMRIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075262
CO[C@@H]1COC[C@@H]1NC1CCc2c1cc(s2)Br	EMOLS-id_319917524,MCULE-8835944299	318.23	KHVCYDIYZQXNHE-CBMCFHRWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075263
CO[C@@H]1COC[C@H]1NC1CCc2c1cc(s2)Br	EMOLS-id_319999955	318.23	KHVCYDIYZQXNHE-VXRWAFEHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075264
COC(=O)C(CNCc1sc2c(c1)CCC2)Br	PC-id_103242931	318.23	ZSGAZIXOYGEOSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075265
CCCCS/C=C
/Sc2c(C1=O)[nH]cc2Br	PC-id_121006410	318.253	HKQPAQRSJHKMMS-SOFGYWHQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075266
BrCCCCCCCn1sc2c(CCC2)c1=O	PC-id_85734224	318.273	WYOLKNQMJULCPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075267
FC(c1ccc(nc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_316619833	318.275	WDJVWBBALGSVIG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075268
FC(c1ccnc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_319540660	318.275	LAHXXQYZKYAIEB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075269
O=C(c1nn2c(c1)OCC2)NC(C(F)(F)F)c1nccs1	EMOLS-id_316763876	318.275	OBAGPUZRNWIFDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075270
O=S(=O)(N1CCn2c1ncc2)c1cncc(c1)C(F)(F)F	MCULE-8656690099,EMOLS-id_319971556	318.275	RIBOTXOLFLMXII-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075271
O=S(=O)(N1CCn2c1ncc2)c1nccc(c1)C(F)(F)F	MCULE-4404504177,EMOLS-id_319884935	318.275	MQFRTVYDDHFKLU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075272
C1C(Oc2nc(cn12)[N+](=O)[O-])CNC(=O)OCc1ccccc1	PC-id_90863646	318.285	KUUIEZWVAACODI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075273
Clc1ccc(s1)CCNC1CCc2c1cc(s2)Cl	PC-id_106041757	318.285	HFBBNLQXZXWMOS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-075274
Clc1sc2c(C(NC(c3sc(Cl)cc3)C)CC2)c1	PC-id_81252280	318.285	GVDPKXQZAQPHAA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-075275
Clc1sc(Cl)cc1C(NC)c1sc2c(CCC2)c1	PC-id_43486730	318.285	CELBXTLNOJTBQC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-075276
O=[N+]([O-])c1ccc(NCCc2nnc3n2CCC3)c([N+](=O)[O-])c1	MCULE-1446402788,EMOLS-id_43641134,PC-id_71900133,ZINC22_84351287	318.288	HRILOWKVZAUOGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075277
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)NCC(F)(F)F	MCULE-4226038863,EMOLS-id_320006392	318.295	APGGOLPXFMNYGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075278
CC1(c2c(CN1C(=O)O)c(n[nH]2)NC(=O)c1ccc(cc1)F)C	PC-id_91572814	318.303	GEGMWJXLQHKUCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075279
CCOC(=O)C1NCc2c1[nH]nc2NC(=O)c1ccc(cc1)F	SCHEMBL6210452,PC-id_69705440	318.303	BADHYXYOHRKZAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075280
CC(OC(=O)c1[nH]nc2c1CNC2)NC(=O)c1ccc(cc1)F	SCHEMBL6210450,PC-id_69705438	318.303	LBTMVLOJQRAJEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075281
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)F	SCHEMBL5461233,PC-id_69450707	318.303	PSPCGGPDPFHKGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075282
Fc1ccc(cc1)C(=O)Nc1c2CNC(c2nn1C(=O)O)(C)C	SCHEMBL4521702,PC-id_69077595	318.303	IOTCBFZOWPATMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075283
Fc1ccc(cc1)C(=O)Nc1nn(c2c1CNC2(C)C)C(=O)O	PC-id_122436842	318.303	WZVJVPPJWULRDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075284
Fc1c(C(=O)Nc2n(nc3C(NCc23)(C)C)C(=O)O)cccc1	PC-id_69081093,SCHEMBL4532323	318.303	POLLXDXZQIABTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075285
C1CN(CCN1c1ncccn1)C(=O)c1nn2CCOc2c1F	PC-id_91960124	318.306	VLATUXGKRBANAK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-075286
c1(NC(=O)c2noc(C)c2N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_16030370,CoCoCo_2133909,MCULE-7434116990,PC-id_20864760	318.308	AOGJCTMSXHPNQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075287
COCc1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324897807	318.308	PVKISQOEBPRUEE-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-075288
COCc1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324898821	318.308	NVIBJAVJCRZEQR-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-075289
COCc1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324899848	318.308	JOBZWOPNSSIHJR-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-075290
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COC	MCULE-2615036201	318.308	NVIBJAVJCRZEQR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-075291
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COC	MCULE-3917487336	318.308	JOBZWOPNSSIHJR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-075292
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COC	MCULE-8906194545	318.308	PVKISQOEBPRUEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-075293
s1c2CCC(=NNc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3)c2cc1	PC-id_71671641	318.308	DBRYTNICZROCMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075294
c1(NC(=O)Cn2nnnc2C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_323887375,MCULE-2989871142	318.311	CGMJIGMKJOKXMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075295
Fc1c(C2C(C2)C(=O)NCc2n3CCCc3nn2)cccc1F	PC-id_71929782,EMOLS-id_45652975,MCULE-9311979193	318.321	DVDGTJFCDMDXEK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075296
O=C1CC(CN1c1c(F)cccc1F)NC1CCn2c1ncc2	EMOLS-id_318191159,MCULE-6176211940	318.321	XOECJGNQUGAKBW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075297
O=C(C1NCc2c1c[nH]n2)NCC1(CC1)c1ccc(cc1F)F	MCULE-1782961655,EMOLS-id_320032633	318.321	AAUFKPMTMUZXPY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075298
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1cccc(F)c1F	PC-id_97076600,ZINC22_89768145	318.321	DVDGTJFCDMDXEK-QWRGUYRKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075299
O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1cccc(F)c1F	PC-id_97076601,ZINC22_89768146	318.321	DVDGTJFCDMDXEK-MNOVXSKESA-N	00100010100000110001100010000000000000000000000000000000	25-01-075300
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1cccc(F)c1F	PC-id_97076602,ZINC22_89768147	318.321	DVDGTJFCDMDXEK-WDEREUQCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075301
O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1cccc(F)c1F	PC-id_97076603,ZINC22_89768148	318.321	DVDGTJFCDMDXEK-GHMZBOCLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075302
c1(C(=O)Nc2cc(OC)c(c(OC)c2)OC)c2CCCc2on1	MCULE-1972812215,PC-id_3361107,TIMTEC217327,ZINC22_426308,EMOLS-id_15971944	318.325	IKHDCQLPIFVZMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075303
c1(onc2CCCc12)NC(=O)c1cc(OC)c(c(OC)c1)OC	CoCoCo_5123829,PC-id_16942288,MCULE-3160256823,EMOLS-id_12336431,ZINC22_8976374	318.325	TWCOGMRSVBVPPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075304
CS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960053	318.325	HBDLIYLDVZUISG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075305
c1(CN(C)C(=O)NCc2ccc(C(=O)O)o2)c2CCCc2[nH]n1	EMOLS-id_177404997,MCULE-7726963089,ZINC22_426470916,PC-id_121500238	318.328	UYXSCPGGJWDBPA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-075306
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccoc2)n1	MCULE-2628683358	318.328	HZEVHSHXZHIQIL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-075307
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccoc2)n1	EMOLS-id_316331323,MCULE-4000526846	318.328	HZEVHSHXZHIQIL-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-075308
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccoc1	MCULE-5834732371,EMOLS-id_316323638	318.328	KHIOTOGLVJZPSK-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-075309
COc1cc(OC)c(cc1NC(=O)N1CCn2c1ncc2)OC	EMOLS-id_319352355	318.328	HJGFMFCYDPGFPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075310
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1cocc1	MCULE-8057645247	318.328	KHIOTOGLVJZPSK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-075311
COC(=O)c1c(NC(=O)N(Cc2ccco2)C)nc2n1CCC2	EMOLS-id_319058579	318.328	OTRAGQJSXGZSHE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-075312
COC(=O)c1c(NC(=O)NCc2ccoc2C)nc2n1CCC2	EMOLS-id_319750190	318.328	AIJCSQGWHRXOEK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-075313
COC(=O)c1c(NC(=O)N(Cc2cocc2)C)nc2n1CCC2	EMOLS-id_318986629	318.328	IWEGULZOVYYSPF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-075314
S1C(C(n2c1ncc2)CP(=O)(OCC)OCC)C(=O)C	PC-id_14062758	318.329	JLLCBQICOVTRTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075315
S1[C@H]([C@@H](n2c1ncc2)CP(=O)(OCC)OCC)C(=O)C	PC-id_21574664	318.329	JLLCBQICOVTRTO-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075316
c1(=O)n(C)c(C(=O)NCC2Cc3n(c(nn3)C)C2)cc(=O)n1C	PC-id_137336293,MCULE-4629558966,EMOLS-id_317479077	318.331	NAOLGHKIKLTGSW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075317
Cc1nnc2n1C[C@@H](CNC(=O)c1cc(=O)n(C)c(=O)n1C)C2	ZINC22_1772712292	318.331	NAOLGHKIKLTGSW-SECBINFHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075318
Cc1nnc2n1C[C@H](CNC(=O)c1cc(=O)n(C)c(=O)n1C)C2	ZINC22_1772712293	318.331	NAOLGHKIKLTGSW-VIFPVBQESA-N	00000010100000100001000010000000000000000000000000000000	25-01-075319
COC(=O)c1c(NC(=O)N(c2cnn(c2)C)C)nc2n1CCC2	EMOLS-id_319041925	318.331	FUMISFRVHWCRGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075320
CN(Cc1nnc2n1CCC2)C(=O)Nc1cnn(CC(=O)N)c1	ZINC22_65496674,MCULE-7614827883,PC-id_53509395,EMOLS-id_35722614	318.334	ZNZVUTOANLGVGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075321
c1(C(=O)N(C)C)n(C(C)(C)C)nc2CN(CC(F)(F)F)Cc12	EMOLS-id_324352617,MCULE-5284677174	318.338	IUYVWNDWWJFADN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075322
c1(c(cccc1F)F)CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328132339,MCULE-7439094768	318.341	YRDVWSWWUBVCAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075323
FC(c1ccccc1)(C(=O)Nc1c(C#N)c2c(CCC2)s1)F	EMOLS-id_328091873,MCULE-6340603991	318.341	JUFMVDZPEQYELD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075324
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2F)OCC)n1	MCULE-2844585734,EMOLS-id_330983679	318.343	HOOLWMPGLRTFPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075325
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)OCCF)n1	EMOLS-id_330983423,MCULE-4955222207	318.343	KPCOBKJYCZSRMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075326
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(F)c2)OCC)n1	EMOLS-id_330983167,MCULE-9316515930	318.343	RJZORXJHTSEWTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075327
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1F)OCC	MCULE-9141125114,EMOLS-id_330966715	318.343	NEFDGAJWXCXQSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075328
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)OCCF	EMOLS-id_330966459,MCULE-7030446274	318.343	BZJGPHNFGQJPDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075329
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(F)c1)OCC	MCULE-8617209853,EMOLS-id_330966203	318.343	RRFQIJHVOYIEKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075330
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1F)OC	EMOLS-id_330971058,MCULE-9599130696	318.343	DIVWJICCTSWHOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075331
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1OC)F	MCULE-3289067558,EMOLS-id_330972595	318.343	OVYWSPDHVJCPFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075332
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)OC	EMOLS-id_330971314,MCULE-7791499632	318.343	ORRXDSSPBUYEAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075333
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(OC)c1)F	EMOLS-id_330969525,MCULE-1842130698	318.343	NGLWPSCLPALIHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075334
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(OC)c1F	EMOLS-id_330970037,MCULE-7360498031	318.343	LZGBZCMCLDVNBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075335
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(F)ccc1OC	MCULE-6291406032,EMOLS-id_330970294	318.343	BGZPVJYHRMBSRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075336
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(OC)cc(F)c1	MCULE-5076102104,EMOLS-id_330969781	318.343	XTIYKLAGTFPLIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075337
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(cccc2F)OC)n1	EMOLS-id_330991606,MCULE-2588064027	318.343	ZCPHSNFTAQZQLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075338
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2F)OC)n1	MCULE-4451300031,EMOLS-id_330990069	318.343	XKACHOLYHSHFQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075339
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2OC)F)n1	EMOLS-id_330991862,MCULE-9459624868	318.343	HZTXABYWTGRHND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075340
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(F)c2)OC)n1	MCULE-9424638793,EMOLS-id_330989813	318.343	DRLBEPPTBJURTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075341
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(F)c2OC)n1	MCULE-9513045664,EMOLS-id_330992118	318.343	WIFNTVWFJUVVPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075342
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(OC)c2)F)n1	EMOLS-id_330992628,MCULE-6289367910	318.343	LOYSTTIWVBBRHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075343
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(OC)c2F)n1	MCULE-8816361978,EMOLS-id_330992372	318.343	TZJWMGGOAXQJNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075344
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)ccc2OC)n1	MCULE-7461555728,EMOLS-id_330991350	318.343	PCPCLLDUVSPLFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075345
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(OC)ccc2F)n1	EMOLS-id_330992116,MCULE-9291128483	318.343	SWHSZDKVSFXVLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075346
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(OC)cc(F)c2)n1	EMOLS-id_330992884,MCULE-9895238388	318.343	WEQJARDZOBULOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075347
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1F)OC	EMOLS-id_330975920,MCULE-6145821589	318.343	SJJOUEXTZRKDOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075348
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1OC)F	MCULE-2344032716,EMOLS-id_330973618	318.343	DJNNGRAVMIWKKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075349
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(F)c1OC	EMOLS-id_330973874,MCULE-6018513758	318.343	LABRQXVJUQYKOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075350
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)OC	EMOLS-id_330975664,MCULE-2794685071	318.343	FXRBQAMUULHQJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075351
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)F	MCULE-6602269971,EMOLS-id_330974384	318.343	GPUNRDWKAWABHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075352
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(OC)c1F	MCULE-8544467793,EMOLS-id_330974128	318.343	PXVOXYIVGJKXSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075353
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)ccc1OC	MCULE-5195187646,EMOLS-id_330977201	318.343	AXFXYZMTVWPZNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075354
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(OC)ccc1F	EMOLS-id_330973872,MCULE-7878386120	318.343	LNVNMTYYPPFJGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075355
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(OC)cc(F)c1	MCULE-1247729028,EMOLS-id_330974640	318.343	IEGIZZNSPFSCJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075356
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1C(=O)O	EMOLS-id_330970550,MCULE-6814773087	318.343	SZHWICAJTSDLOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075357
COC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1OC	MCULE-5299385665,EMOLS-id_330973362	318.343	JSPISCISHBTILA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075358
C[C@H](NC(=O)CCOc1cccc(F)c1)c1nnc2n1CCC2	PC-id_93615691,CoCoCo_4879945,ZINC22_40522760	318.346	JXUKZBTXAGHUTH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-075359
C[C@@H](NC(=O)CCOc1cccc(F)c1)c1nnc2n1CCC2	PC-id_93615692,CoCoCo_4879946,ZINC22_40522763	318.346	JXUKZBTXAGHUTH-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075360
C[C@H](NC(=O)CCOc1ccc(F)cc1)c1nnc2n1CCC2	CoCoCo_4879953,ZINC22_40522785,PC-id_93615701	318.346	YHINGUXFZVNTBY-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-075361
C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1nnc2n1CCC2	CoCoCo_4879954,ZINC22_40522788,PC-id_93615702	318.346	YHINGUXFZVNTBY-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075362
CCN(CC)Cc1nc2CN(Cc2o1)C(=O)c1ccncc1F	ZINC22_96260263,PC-id_97520338,EMOLS-id_44372084	318.346	DDLTZRFHQYSJEZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075363
CN(C)Cc1nc2CN(Cc2o1)C(=O)NCc1cccc(F)c1	ZINC22_96260254,PC-id_97520330,EMOLS-id_44372066	318.346	WAJJNOLMKNXHDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075364
CN(CCNC(=O)c1cc2n(n1)CCO2)Cc1ccc(F)cc1	MCULE-5240860051,ZINC22_290354066,EMOLS-id_316804066	318.346	KXWLEMYDDGHOKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075365
Fc1ccc(OCCC(=O)NC(c2n3CCCc3nn2)C)cc1	MCULE-3708221695,PC-id_45819147,EMOLS-id_31936216	318.346	YHINGUXFZVNTBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075366
Fc1cc(OCCCC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52717133	318.346	IKUVPFKQMIPMRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075367
Fc1cc(OCCC(=O)NC(c2n3CCCc3nn2)C)ccc1	EMOLS-id_31936196,MCULE-5860797838,PC-id_45819137	318.346	JXUKZBTXAGHUTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075368
Fc1c(OCCCC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_52717134	318.346	PPBVWYLDQBQKDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075369
OC(=O)C1CCc2sc(NC(=O)OCc3ccccc3)nc12	EMOLS-id_329958899	318.348	WXPZPURBAMMSTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075370
OS(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_118612002	318.348	JJAHEXODYUOQDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075371
O=S(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL17378075	318.348	ZFJCZMAOICMYSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075372
s1c2CCCc2cc1C(=O)NCc1c(O)ccc([N+](=O)[O-])c1	PC-id_9155084	318.348	AHPTXHBMWGUEBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075373
Fc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)N(C)C	EMOLS-id_319395123	318.349	JDRGKDZUCZEZGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075374
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)n(C)nc2CSCc12	EMOLS-id_334567602,MCULE-1592941457	318.351	DLYFBAPPOJMVRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075375
c1(NC(=O)Cc2ccccc2N(=O)=O)n(C)nc2CSCc12	MCULE-4466281779,EMOLS-id_334564530	318.351	APYXEMOPOOZYSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075376
CC(=O)c1ccc(NCc2cn3c(n2)SCC3)c([N+](=O)[O-])c1	EMOLS-id_172326991,PC-id_122147839,ZINC22_408514925,MCULE-1328507462	318.351	NPTZQSBKOVNHDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075377
CNc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-]	MCULE-1648558586,EMOLS-id_31344781,ZINC22_25767719,PC-id_33039383	318.351	VRVOUQHDLMQHRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075378
CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCC2	MCULE-6754580759,EMOLS-id_36994997,ZINC22_71794475,PC-id_56807432	318.351	XOZABNVQVYXSSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075379
N#Cc1ccc(c(c1)OC)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319672985	318.351	AKIRMTDRECVTRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075380
NS(=O)(=O)c1ccc(NN/C=C/Cn3cccc3C2=O)cc1	PC-id_66485701,ZINC22_72414130	318.351	DBARSHSHRIMWSO-NTMALXAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075381
O=C(c1ccc(=O)n(n1)C)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_317340938,MCULE-5505004032,PC-id_2120842,CoCoCo_3218547	318.351	KOESRCGNJZTKMV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075382
O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCC2	MCULE-9661554179,EMOLS-id_48222192,ZINC22_144705424	318.351	CZCSFXKPTUYYRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075383
s1c2CCCc2cc1C(=O)NNC(=O)c1nn(c(=O)cc1)C	PC-id_51166587	318.351	SNGSYZAHJOINJZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075384
S(=O)(=O)(N)c1ccc(cc1)NNC=C1Cn2c(ccc2)C1=O	PC-id_71831671,MCULE-3774423421	318.351	DBARSHSHRIMWSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075385
O=C(c1sc2c(c1)CCC2)NC1CCN(C1)CC(F)(F)F	MCULE-5365068496,PC-id_49060185,EMOLS-id_44505448	318.358	OEOWFXNHLPWDIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075386
O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc2c(s1)CCC2	PC-id_97010560,ZINC22_84338884	318.358	OEOWFXNHLPWDIX-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075387
O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc2c(s1)CCC2	ZINC22_61583034,PC-id_94886657	318.358	OEOWFXNHLPWDIX-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-075388
s1c2c(CCC2)cc1CNC(=O)C1(CCNC1)C(F)(F)F	PC-id_63710750	318.358	UQJFMABTYIVGHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075389
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccc(F)cc1	CoCoCo_2840902,PC-id_7623793,ZINC22_5308539	318.363	MDPZURNWAAOQJN-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-075390
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccc(F)cc1	PC-id_7623795,ZINC22_5308543,CoCoCo_2840901	318.363	MDPZURNWAAOQJN-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075391
Fc1ccc(cc1)C(=O)C(OC(=O)c1sc2c(c1)CCC2)C	MCULE-1808795522,EMOLS-id_24491202,PC-id_18080998	318.363	MDPZURNWAAOQJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075392
Fc1cccc(c1C1(CCC1)CNC1CC(n2c1ncn2)C)F	EMOLS-id_318553451,MCULE-8835454546	318.364	ZDPLAFZQPOPXSA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-075393
Fc1cc(cc(c1)F)C1CC(C1)NC(c1nnc2n1CCC2)C	MCULE-8545650308,EMOLS-id_318264559	318.364	XKSCOARICGNCHH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-075394
Fc1ccc(cc1F)N1CCC(C1)CNC1CCn2c1ncc2	EMOLS-id_318102417,MCULE-3878131239	318.364	UDUBJLSQDFFWLK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075395
Fc1ccc(c(c1)F)N1CCC(C1)NC1CC(n2c1ncc2)C	MCULE-5832498609,EMOLS-id_317994260	318.364	BDCAQCRIILGQQO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075396
Fc1ccc(c(c1)F)N1CCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318237252,MCULE-1205991027	318.364	DWKJNEJBCRFUAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075397
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)NC	CoCoCo_2580149,PC-id_579529,MCULE-1150068901,EMOLS-id_2701490,ZINC22_4335446	318.366	NUBHZBQUGRRZRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075398
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NC	EMOLS-id_16349083,MCULE-9954747390,PC-id_7474974,ZINC22_5055674,CoCoCo_2590244	318.366	GEUZYJCIDDEVRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075399
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)NC	PC-id_7474975,MCULE-3759849637,EMOLS-id_16349085,CoCoCo_2590245	318.366	QEQLYWTWEUHYRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075400
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	EMOLS-id_13109976,CoCoCo_2590313,MCULE-1665279293,PC-id_7597203,SCHEMBL8288812,ChEMBL-DNDi_CHEMBLF2726-0774,ZINC22_5268335	318.366	CDYSHEDLBPVQJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075401
Fc1ccc(cc1)C(=O)N1CCc2c1cc(s2)C(=O)N(C)C	PC-id_97524492	318.366	HVEGURYYSRJDGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075402
NC(=O)c1c(NC(=O)Cc2ccccc2F)sc2c1CCC2	MCULE-4537787501,EMOLS-id_3431765,CoCoCo_3218622,ZINC22_6510892,PC-id_4796001	318.366	DYDBYRYWVNSMTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075403
s1c2CCCc2cc1C(=O)NN=Cc1cc(F)c(OC)cc1	PC-id_84889474	318.366	ULZIBUPFYRLOIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075404
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(F)c(cc1)C	PC-id_27684785	318.366	HRCNIVWEXASYCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075405
s1c2CCCc2cc1C(=O)NNC(=O)Cc1ccc(F)cc1	PC-id_38846117	318.366	OJWVWGQHFOAFIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075406
s1c2CCCc2cc1C(=O)NNC(=O)Cc1cc(F)ccc1	PC-id_27684200	318.366	QRXBLLDOVRJDLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075407
s1c2CCCc2cc1C(=O)NNC(=O)Cc1c(F)cccc1	PC-id_27684487	318.366	REXHPHJFCLRGAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075408
s1c2c(C(CC2)C)c(c1NC(=O)c1c(F)cccc1)C(=O)N	PC-id_57366206	318.366	BIKIMEFQCFAMHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075409
c1(onc2CCCc12)NC(=O)C(c1ccccc1)c1ccccc1	MCULE-6147151364,CoCoCo_5123843,PC-id_16942330,ZINC22_8976417,EMOLS-id_12336519	318.369	DXYNYWFCTCUVBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075410
COC(=O)c1cc2c([nH]1)CCC2=Cc1cccc(c1)c1ccc[nH]1	SCHEMBL2077042,PC-id_87332335	318.369	NUKUTHJJEFEFJC-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-075411
COC(=O)c1[nH]c2c(c1)/C(=C/c1cccc(c1)c1[nH]ccc1)/CC2	SCHEMBL1004479	318.369	NUKUTHJJEFEFJC-GXDHUFHOSA-N	00000010110000110000100010000000000000000000000000000000	25-01-075412
OC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1cccnc1	SCHEMBL2077375,PC-id_59180177	318.369	WKAXSGFIOGLBAV-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-075413
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)CC1CC1	MCULE-4680915151,EMOLS-id_207863343	318.371	HXHBXDFJHWNKAF-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-075414
c12CN(Cc1nn(CC1CC1)c2C(=O)NC1CC1)C(=O)OCC	MCULE-1301908225,EMOLS-id_324356965	318.371	YUYMPLQLPMFVGK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075415
Cc1c2n(CCO2)nc1C(=O)N(C1CC1)C(=O)C1CCCNC1	PC-id_91959945	318.371	YUIFBAVBKIJZFN-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-075416
Cn1c2c(CN(C2)C(=O)C2CCC2)c(n1)C(=O)N1CCOCC1	MCULE-4260719848,PC-id_91917561,EMOLS-id_48476467	318.371	MGKQFRXOAIKDAH-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-075417
Cn1c2c(CN(C2)C(=O)C2CCCO2)c(n1)C(=O)N1CCCC1	PC-id_91917560	318.371	VYFOXQKZKLKRAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075418
COC(=O)c1c(NC(=O)N2CC3C(C2)C3(C)C)nc2n1CCC2	EMOLS-id_319081227	318.371	XEIJVAPEGMATEG-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-075419
COC(=O)c1c(NC(=O)N2CC(C2)CC2CC2)nc2n1CCC2	EMOLS-id_319471453	318.371	BKANNPGEWLGVEY-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-075420
COC(=O)c1c(NC(=O)N2CCC(C2)C2CC2)nc2n1CCC2	EMOLS-id_319382094	318.371	CDHFANAZYIVOJD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-075421
COC(=O)c1c(NC(=O)NC2(C)CCC=CC2)nc2n1CCC2	EMOLS-id_319067538	318.371	REZWNBFEOJBDJY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-075422
COC(=O)c1c(NC(=O)NC[C@@]23CCC[C@@H]2C3)nc2n1CCC2	EMOLS-id_319564101	318.371	FFHURDAMDCVCSE-HWPZZCPQSA-N	00100010100010000001010010000000000000000000000000000000	25-01-075423
COC(=O)c1c(NC(=O)NCC2CCC=CC2)nc2n1CCC2	EMOLS-id_319086669	318.371	FRTUTHOOWUAFRO-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-075424
COC(=O)c1c(NC(=O)NCC2=CCCCC2)nc2n1CCC2	EMOLS-id_319474194	318.371	ZGGFVPQIZPXDLW-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-075425
O=C1C(CCN1C1CCOCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100195332	318.371	QWWGHHRSZZPEQD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075426
O=C(C1CCCO1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110545946	318.371	HHSHNIDCHDEWFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075427
O=C(N1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)OCC2)C1CC1	EMOLS-id_99809376	318.371	UVGPFMROMCNVOC-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-075428
c1(C(=O)Nc2ccc(cc2)Nc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_335076070,MCULE-9053279748	318.372	MXPRQIUSQYWUKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075429
Cc1ccc(cc1)Nc1nn2c(c1)N(CC2)C(=O)c1ccccc1	PC-id_58440738,SCHEMBL12307392	318.372	OTYUDWWTKREWGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075430
C/C=CC=N/c1c(C(=O)Nc2ccccc2)n2c(c1C#N)CCC2	CoCoCo_5763418	318.372	PDSIFOXFIWGKOP-QCBSTXKDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075431
C/C=C/C=Nc1c(C(=O)Nc2ccccc2)n2c(c1C#N)CCC2	CoCoCo_5763419	318.372	PDSIFOXFIWGKOP-NXWYYFNJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075432
C/C=CC=Nc1c(C(=O)Nc2ccccc2)n2c(c1C#N)CCC2	CoCoCo_5763420	318.372	PDSIFOXFIWGKOP-YLSMBUDKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075433
C/C=C/C=N/c1c(C(=O)Nc2ccccc2)n2c(c1C#N)CCC2	PC-id_5470025,CoCoCo_5763417,NSC696786	318.372	PDSIFOXFIWGKOP-ZXNYMRQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-075434
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cnccn1	MCULE-5412184335,EMOLS-id_328224628	318.372	TWLLYBBKZVWLRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075435
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ncccn1	EMOLS-id_328222837,MCULE-8272573153	318.372	OXMFVJUALFXEPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075436
NCc1ccccc1c1ccc(C(=O)N2CCn3ccnc23)cc1	ZINC22_2325858713	318.372	XZGCGJUUDKOREI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075437
NCc1cccc(c2ccc(C(=O)N3CCn4ccnc34)cc2)c1	ZINC22_2325858371	318.372	KUFWDTPSVMXVSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075438
O=C(c1ccccc1)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68441957,SCHEMBL2922382	318.372	ONOYOXKWKIJACD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075439
O=C(c1ccccc1)Nc1nn(c2c1CNC2)Cc1ccccc1	PC-id_141308591	318.372	MJVMRWWGAWYKQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075440
O=C(c1cnc2n1CCC2)NCc1ccnc(c1)c1ccccc1	MCULE-2544390757,EMOLS-id_319890031	318.372	LXUKCQURTINKLD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-075441
O=C(Nc1ccccc1)c1n2CCCc2c(c1/N=C/C=CC)C#N	PC-id_393859	318.372	PDSIFOXFIWGKOP-COTXWNFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075442
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1cccnc1	PC-id_9836660	318.372	NAVHOBYCAIGGJK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-075443
O=C(Nc1n[nH]c2CCCc12)Cc1cc(ccc1)c1cccnc1	PC-id_9858179	318.372	DIKLOVBRVPGHNI-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-075444
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1ccncc1	PC-id_9836661	318.372	XDDANFQOHPTDFW-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-075445
O=C(Nc1n[nH]c2CCCc12)Cc1cc(ccc1)c1ccncc1	PC-id_9858180	318.372	ASJJYQAUHAVOTL-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-075446
O=C(NCc1n2CCCc2nn1)c1ccc(cc1)c1ccccc1	PC-id_52371127	318.372	LCXRSEJMSDYMJI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075447
C1Cc2c(C1)sc(c2C#N)/N=C/c1c([nH]c(=S)[nH]c1=O)O	PC-id_135635189	318.374	WJKPXNOHZCZNBY-PJQLUOCWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075448
C1Cc2c(C1)sc(c2C#N)N=Cc1c([nH]c(=S)[nH]c1=O)O	PC-id_135954897	318.374	WJKPXNOHZCZNBY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075449
CC(C)c1nc(CNC(=O)N(C)Cc2n[nH]c3c2CCC3)no1	MCULE-2658244384,PC-id_121494749,ZINC22_426359512,EMOLS-id_177361304	318.374	JPMHRCWZOKFBOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075450
CC(C)c1noc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)n1	PC-id_97085773,ZINC22_89893629	318.374	JDHKLNSMLRVMOR-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-075451
CC(C)c1noc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)n1	PC-id_97085774,ZINC22_89893630	318.374	JDHKLNSMLRVMOR-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075452
CC(C)(C)c1cc(NC(=O)NCCc2nnc3n2CCC3)no1	EMOLS-id_49103058,ZINC22_86285575,PC-id_71972776,MCULE-4988361123	318.374	SZNUKNTZUXGHLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075453
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(o1)C)O	PC-id_119141544	318.374	RCMIJTGRSWGOAH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-075454
N1C(=O)/C(=C/Nc2sc3CCCc3c2C#N)/C(=O)NC1=S	EMOLS-id_49396699,ZINC22_29006237,PC-id_36179318,MCULE-9428008166	318.374	IZRIBQPBZGKPJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075455
O=C(NC(c1n2CCCc2nn1)C)CCc1onc(n1)C(C)C	MCULE-6507778995,EMOLS-id_45751132,PC-id_71896173	318.374	JDHKLNSMLRVMOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075456
S1Cc2c(noc2NC(=O)c2n[nH]c(c2)c2sccc2)C1	PC-id_49720050	318.374	LOTOOLXMQXWFHC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075457
CNC(c1sc2c(c1)CCC2)c1cnc(s1)C(F)(F)F	PC-id_106785227	318.381	VRPKTSHFMXRPSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075458
COC(=O)C1(SCc2ccc(cc2)OC)Cc2c(C1)coc2	PC-id_15814406,SCHEMBL7815880	318.387	GRUFNFGCCOXMEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075459
c1(c2CCCc2sc1N)C(=O)Nc1ccc(cc1OC)OC	TIMTEC398072,EMOLS-id_3785122,MCULE-7820201557,ZINC22_2558476,CoCoCo_6815211,PC-id_17285049	318.391	QDVDZCZLBPHNAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075460
c1(c2CCCc2sc1N)C(=O)Nc1c(OC)ccc(OC)c1	TIMTEC525363,CoCoCo_843570,EMOLS-id_2177180,ZINC22_4189154,PC-id_2916923,MCULE-9655441409	318.391	WJUNCGRNDLZCLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075461
c1(ccc(C)[nH]1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8390740622,EMOLS-id_328257620	318.391	QLONUAYWFYBTHW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-075462
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCC2)c1C#N	MCULE-7422078198,EMOLS-id_4002767,TIMTEC333388,PC-id_17378775	318.391	NJMKBXYBPXZXPL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075463
c1(NC(=O)Cc2ccc(cc2OC)OC)sc2c(CCC2)n1	PC-id_16911686,EMOLS-id_334663376,MCULE-9663282531	318.391	CVGWXAYGKDEUKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075464
c1(NC(=O)Cc2cc(OC)ccc2OC)sc2c(CCC2)n1	MCULE-5108551906,EMOLS-id_334662608	318.391	LRMZCSXXQGAMCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075465
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8303650560,EMOLS-id_334338476	318.391	RGEMZOFWXDKEEN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-075466
C[C@](C#N)(NC(=O)COC(=O)c1cc2c(s1)CCC2)C1CC1	CoCoCo_2840892,PC-id_7623785,ZINC22_5308527	318.391	VUSRYUQXYMUHIO-MRXNPFEDSA-N	00100010100000000000000010000000000000000000000000000000	25-01-075467
C[C@@](C#N)(NC(=O)COC(=O)c1cc2c(s1)CCC2)C1CC1	CoCoCo_2840893,ZINC22_5308531,PC-id_7623787	318.391	VUSRYUQXYMUHIO-INIZCTEOSA-N	00100010100000000000000010000000000000000000000000000000	25-01-075468
CCOc1ccccc1OCC(=O)Nc1nc2CCCc2s1	PC-id_24246453,MCULE-9844932692,CoCoCo_4164119,EMOLS-id_17207941,ZINC22_15636534	318.391	RLXWIZWMADGSGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075469
CCOc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1OC	EMOLS-id_11943414,ZINC22_9049607,CoCoCo_4164253,PC-id_17413957,MCULE-1294761050	318.391	WEQAJTFQOMTQRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075470
CCOc1ccc(OCC(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_24132593,PC-id_25676166,CoCoCo_4164162,ZINC22_13022669,MCULE-7759086520	318.391	YEGMRMUGTNCREZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075471
CC(=O)CCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	PC-id_56668692,CHEMBL1821913	318.391	NUMSJXILJRNTNK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-075472
CCOC(=O)c1c(NC(=O)c2cccn2C)sc2CCCc12	EMOLS-id_328097805,MCULE-3373596274	318.391	ONXVRSHPAHCRGS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-075473
COc1ccc(CC(=O)Nc2nc3CCCc3s2)cc1OC	EMOLS-id_11994653,MCULE-2288587982,ZINC22_6470343,CoCoCo_4164048,PC-id_3481521	318.391	RFYJJGYSHSMVRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075474
COCCn1cc(NC(=O)c2cc3c(s2)CCC3)ccc1=O	MCULE-9902128281,EMOLS-id_45635936,PC-id_71942434,ZINC22_46200381	318.391	DQTDALDFQOVJBF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-075475
C(=O)(Nc1sc2CCCc2c1C#N)C1CCC(CC1)C(=O)O	EMOLS-id_328014374,MCULE-2757933766	318.391	CJYWTGBNEDZGNV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075476
CSc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_13424022,SCHEMBL10643747	318.391	ATNDSNXDCWPHGS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-075477
CSc1ccc(n1C)C(=O)c1c(C)cc2n1CC(C2)C(=O)O	PC-id_20228253,SCHEMBL10847948	318.391	DPQBCGHXZFCOAL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-075478
CSc1cc(c([nH]1)C(=O)c1c(C)cc2n1CC(C2)C(=O)O)C	SCHEMBL10977004,PC-id_70485443	318.391	ZJFADRHMEADYAJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-075479
N#Cc1c(NC(=O)CC2(C(=O)O)CCCC2)sc2c1CCC2	ZINC22_16482401,MCULE-9241433008,PC-id_72159192,EMOLS-id_42860514	318.391	JMBGTXCQUMKLGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075480
N#Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_40558891,ZINC22_5725590,CoCoCo_6834374	318.391	NJMKBXYBPXZXPL-QWRGUYRKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075481
N#Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_5725586,CoCoCo_6834375,PC-id_40558887	318.391	NJMKBXYBPXZXPL-MNOVXSKESA-N	00000010100010000000000010000000000000000000000000000000	25-01-075482
N#Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_5725596,PC-id_40558895,CoCoCo_6834372	318.391	NJMKBXYBPXZXPL-GHMZBOCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075483
N#Cc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_5725600,CoCoCo_6834373,PC-id_40558899	318.391	NJMKBXYBPXZXPL-WDEREUQCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075484
N#CC(C1CC1)(NC(=O)COC(=O)c1sc2c(c1)CCC2)C	PC-id_17456090,EMOLS-id_13491401,MCULE-4441813350	318.391	VUSRYUQXYMUHIO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-075485
O=C(c1occ2c1CCC2)Nc1ccccc1N=S(=O)(C)C	EMOLS-id_257973658,MCULE-8806275131	318.391	KGYGJWFTILCQCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075486
O=C(Cc1ccc(c(c1)O)O)NCCc1sc2c(n1)CCC2	EMOLS-id_319888616,MCULE-6751065686	318.391	JRMPCVZGWUTMPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075487
O=C(N1Cc2c(C1)nc(o2)COCC1CC1)Cc1cccs1	PC-id_97406051	318.391	MXMNLSKJBURCJV-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-075488
s1c2CCCc2cc1C(=O)NNC(=O)c1c(c(oc1C)C)C	PC-id_26771327	318.391	OPSDIBRALWIXEC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-075489
s1c2CCCc2cc1C(=O)OCC(=O)NC1(CCCC1)C#N	PC-id_7291976	318.391	KSSPEYPGGGVYLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075490
s1c2CCCc2c(c1NC(=O)COC(=O)C1CCCC1)C#N	PC-id_8020002	318.391	MOAXGCOXNGQKID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075491
s1c2CCCc2nc1NC(=O)c1cc(OC)c(c(OC)c1)C	PC-id_33039181	318.391	IPPBGEWFVNSGKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075492
s1c2CCCc2nc1NC(=O)c1cc(OCC)c(OC)cc1	PC-id_33039471	318.391	ARZCYDDPQFSDIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075493
s1c2CCCc2nc1NC(=O)C(Oc1ccc(OC)cc1)C	PC-id_51327756	318.391	TZGGPNGLLPQDCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075494
S1Cc2c(noc2NC(=O)c2ccc(OCCCC)cc2)C1	PC-id_49719038	318.391	FWQPZRCXDZIGCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075495
S1Cc2c(noc2NC(=O)COc2ccc(C(C)C)cc2)C1	PC-id_49719072	318.391	WRNZKNRUGJJHHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075496
c1(C(=O)NCc2cn3c(SCC3)n2)c(C)cc(n(C)c1=O)C	ZINC22_65406301,EMOLS-id_32399740,MCULE-4616860043,PC-id_50964811	318.394	TXDYKBNLSWNIJV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075497
c1(C(=O)NCc2cn3c(SCC3)n2)c(C)[nH]c(C(=O)C)c1C	MCULE-8097545362,ZINC22_828133704,EMOLS-id_232854936	318.394	RKBBOSPFDOKMFW-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-075498
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccsc2)n1	MCULE-6591082018	318.394	UAEWKZKTRVKWFS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075499
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccsc2)n1	EMOLS-id_316328767,MCULE-7287139018	318.394	UAEWKZKTRVKWFS-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-075500
c1(NC(=O)c2c(C)[nH]c(C(=O)C)c2C)n(C)nc2CSCc12	ZINC22_1529158391,MCULE-6510182625,EMOLS-id_316153570,PC-id_134705519	318.394	BJZAHUMPSUUWPD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-075501
c1(NC(=O)c2cnn(CC)c2C)sc2c(CCC2)c1C(=O)N	PC-id_4771960,ZINC22_2781566,CoCoCo_6580321,EMOLS-id_4002797,MCULE-1666094657	318.394	GIJJKCBSTJNCIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075502
c1(NC(=O)COc2ccc(cc2)C(C)C)nnc2SCCn12	ChEMBL-DNDi_CHEMBLF2079-0103,PC-id_22582968,EMOLS-id_16349457,MCULE-6015377936,CoCoCo_2590520	318.394	YSOIQAFWXKLYCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075503
c1(NC(=O)NCc2ccc(cc2)OC)n(C)nc2CSCc12	ZINC22_263587107,PC-id_121239729,MCULE-7309876657,STOCK7S-56720,EMOLS-id_93422723	318.394	CDLNWLSWGMTTPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075504
Cc1ccc(C(=O)CCC(=O)NCc2nnc3n2CCC3)s1	ZINC22_40486232,MCULE-7971489010,PC-id_45803636,CoCoCo_4560496,EMOLS-id_31870881	318.394	RCHLIXSUNSLMKH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075505
Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)CCC3)c(=O)[nH]1	PC-id_136226607,EMOLS-id_48208769,MCULE-5002265338,ZINC22_57817364	318.394	UKGXJQGSFXUMNG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075506
Cc1nc(sc1C(=O)N1Cc2c(C1)cnn2C)C1CCOC1	EMOLS-id_318123702	318.394	DPOKIAZEBQWMCB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075507
Cc1n[nH]c([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	PC-id_96100073,ZINC22_76044708	318.394	UVDJSJIAGMTCJC-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075508
Cc1n[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	ZINC22_76044706,PC-id_96100072	318.394	UVDJSJIAGMTCJC-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-075509
Cc1n[nH]c(n1)C1OCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_72123557,EMOLS-id_43383983,MCULE-6056999578	318.394	UVDJSJIAGMTCJC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075510
CCCCOc1ccc(cc1)C(=O)Nc1nnc2n1CCS2	CHEMBL1517928,PC-id_16031365,CoCoCo_2590484,ChEMBL-DNDi_CHEMBLF2079-0044	318.394	SCZCCLLRPKGGNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075511
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCNC(=O)C1	ZINC22_26196631	318.394	ZZCFWLIGOCGZNX-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075512
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCNC(=O)C1	ZINC22_26196634	318.394	ZZCFWLIGOCGZNX-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-075513
C[C@@H](NC(=O)CCC(=O)c1cccs1)c1nnc2n1CCC2	PC-id_94171963,ZINC22_48234384	318.394	KZIXTMMRYDZOKD-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075514
C[C@H](NC(=O)CCC(=O)c1cccs1)c1nnc2n1CCC2	ZINC22_48234383,PC-id_94171962	318.394	KZIXTMMRYDZOKD-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-075515
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)/C(=C/C(=N)C)/[NH-]	PC-id_144979496	318.394	OTFJMDAFWWFNNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075516
CCOc1ccc(NC(=O)CSc2nc3n(n2)CCC3)cc1	PC-id_16458589,CoCoCo_6600755,CoCoCo_6600754,MCULE-8514725624,ZINC22_28527302	318.394	WDGDQYRYNGBQGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075517
CCOc1ccc(NC(=O)CSc2nnc3CCCn23)cc1	EMOLS-id_15729917,ZINC22_4614474,MCULE-8602682457,CoCoCo_5792110,PC-id_7303059	318.394	UADZVBFMWNMXSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075518
CN(Cc1nnc2n1CCC2)C(=O)CCC(=O)c1cccs1	PC-id_45819274,EMOLS-id_31936740,MCULE-1310639377,ZINC22_44934916	318.394	UJJJIPHBEKYKKW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075519
CNC(=O)[C@@H](NC(=O)c1sc2c(c1)CCC2)Cc1nc[nH]c1	EMOLS-id_319175127	318.394	JSWGXCZGCLVJIW-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-075520
COc1ccc(CNC(=O)Cn2nc3c(c2N)CSC3)cc1	CoCoCo_5090355,EMOLS-id_27513013,ZINC22_26422013,PC-id_33677837,MCULE-8792955733	318.394	HPGJEEGXTZJZBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075521
COc1cccc(SCC(=O)NCc2nnc3CCCn23)c1	ZINC22_299165854,MCULE-5473803353,EMOLS-id_232883723	318.394	ULFOEHXYSFQRQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075522
COc1cc(SC)ccc1C(=O)NCc1nnc2n1CCC2	MCULE-9337632097,CoCoCo_4474365,ZINC22_12995165,PC-id_17505586,EMOLS-id_16693779	318.394	VVXFBEWESJNKSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075523
COC1(CN(C1)C(=O)c1sc2c(c1)CCC2)c1cnnn1C	EMOLS-id_318989645	318.394	MKKAYJJKEIRFIC-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-075524
CS(=O)Cc1cccc(c1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_48210867,MCULE-1586343165,PC-id_75413952	318.394	KWDILJAKRDQPGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075525
C[S@@](=O)Cc1cccc(C(=O)NCc2nnc3n2CCC3)c1	PC-id_93895144,ZINC22_42648727	318.394	KWDILJAKRDQPGM-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075526
C[S@](=O)Cc1cccc(C(=O)NCc2nnc3n2CCC3)c1	ZINC22_42648728,PC-id_93895145	318.394	KWDILJAKRDQPGM-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075527
N#Cc1c(NC(=O)CCN2CCNC(=O)C2)sc2c1CCC2	MCULE-9860302645,CoCoCo_4466935,PC-id_36013138,EMOLS-id_31866624,CoCoCo_4466936,ZINC22_28852355	318.394	KWOSNOJVBIEGAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075528
N#Cc1c(NC(=O)CN2CCC(C2)C(=O)N)sc2c1CCC2	EMOLS-id_36922896,MCULE-9992173155,PC-id_56815731	318.394	UGCMBNBTAHTPDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075529
N#Cc1c(NC(=O)CN2CC[C@H](C(=O)N)C2)sc2c1CCC2	PC-id_95576808,ZINC22_71812671	318.394	UGCMBNBTAHTPDY-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-075530
N#Cc1c(NC(=O)CN2CC[C@@H](C(=O)N)C2)sc2c1CCC2	ZINC22_71812672,PC-id_95576809	318.394	UGCMBNBTAHTPDY-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075531
N#Cc1c(NC(=O)C(N2CCNC(=O)C2)C)sc2c1CCC2	EMOLS-id_44523016,PC-id_71899234,MCULE-9586186939	318.394	ZZCFWLIGOCGZNX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075532
O=C(c1cnc(s1)C1CCCO1)Nc1n(C)nc2c1CCC2	EMOLS-id_98175370	318.394	ZGZQGHHUYCMADK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075533
O=C(c1cnc(s1)C1CCCO1)NCc1cnc2n1CCC2	EMOLS-id_318880280	318.394	GIHJPZSUWLOITG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075534
O=C(c1cnc(s1)C1CCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319618932	318.394	VZXOCNNEZMAWJE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075535
O=C(c1cnn2c1CCC2)Nc1scc(n1)C1CCOCC1	EMOLS-id_101309146	318.394	JJIATNOOXUBCCA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075536
O=C(c1csc(n1)C1CCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319782737	318.394	QTFDGWAQZMLBAF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075537
O=C(c1nn2c(c1)CCC2)Nc1scc(n1)C1CCOCC1	EMOLS-id_101309134	318.394	RLKFAIJAIUCKOE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075538
O=C(c1sc2c(c1)CCC2)N1CCOC(C1)Cn1ccnn1	EMOLS-id_319691982	318.394	NQSJSUYHMACSFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075539
O=C(NC(c1nnc2n1CCC2)C)CCC(=O)c1cccs1	EMOLS-id_31936182,MCULE-9750665934,PC-id_51079810	318.394	KZIXTMMRYDZOKD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075540
O=S(=O)(c1cccc(c1)C1CC1)NCc1nnc2n1CCC2	EMOLS-id_318982678	318.394	HTRQQCDQAIDBLB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075541
O=S(=O)(c1cnc2n1CCC2)N1CCCC1c1cccnc1	EMOLS-id_100186404	318.394	UNBUIZZXGSOYPX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-075542
O=S(=O)(c1cnc2n1CCC2)N1CCCC1c1ccncc1	EMOLS-id_100201149	318.394	PFCCLECESNLSDG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-075543
s1c2CCCc2cc1C(=O)NNC(=C1C=CC=NC1=S)[O-]	PC-id_51473429	318.394	KUTGXXXNZDPYDN-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-075544
s1c2CCCc2cc1C(=O)NNC(=O)Cn1nc(cc1C)C	PC-id_9424779	318.394	VGTPNDZGEJFAIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075545
s1c2c(CCC2)c(c1NC(=O)c1n(nc(c1)C)CC)C(=O)N	PC-id_49695826	318.394	MYPHDJAIHVYBLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075546
s1c2c(CCC2)c(c1NC(=O)c1nn(c(c1)C)CC)C(=O)N	PC-id_49697406	318.394	WIMGVBTXOOHCMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075547
s1c2CCCc2nc1NC(=O)c1nn(CCCC)c(=O)cc1	PC-id_33039601	318.394	ZAZPHOXQAXBYCK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075548
s1c(C2OCCC2)ccc1C(=O)NCc1n2CCCc2nn1	PC-id_72919686	318.394	QOJLSUVFNMAYDN-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-075549
c1(C#N)c2CCCc2sc1N=Cc1cn[nH]c1c1ccccc1	MCULE-5985766900	318.396	KJXZQLHULSOURO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075550
N#Cc1c2CCCc2sc1/N=C/c1c[nH]nc1c1ccccc1	EMOLS-id_46535394,EMOLS-id_26350054,STOCK4S-78065,ZINC22_1266841,PC-id_135630242	318.396	KJXZQLHULSOURO-KEBDBYFISA-N	00000010100000110001100010000000000000000000000000000000	25-01-075551
N#Cc1c(N/C=C/C=NN=C2c2ccccc2)sc2c1CCC2	PC-id_51379558,GD-id_ZINC01266841	318.396	XBLUGJBGRWKDMN-RAXLEYEMSA-N	00000011100000110001100010000000000000000000000000000000	25-01-075552
s1c2CCCc2c(c1N/C=C
/C(=NN=C1)c1ccccc1)C#N	PC-id_5423998	318.396	XBLUGJBGRWKDMN-JLHYYAGUSA-N	00000011100000110001100010000000000000000000000000000000	25-01-075553
s1c2CCCc2c(c1NC=C1C(=NN=C1)c1ccccc1)C#N	PC-id_6747839	318.396	XBLUGJBGRWKDMN-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-075554
c12SCCn1cc(CNc1cc([C@H]3C[C@H](C3)O)nc(N)n1)n2	MCULE-6856393574,ZINC22_244873464,EMOLS-id_55606288	318.397	WQVOOZMZKVAFSN-WAAGHKOSSA-N	00001010100000100001100010000000000000000000000000000000	25-01-075555
C1CSc2nc(cn12)CNc1nc(nc(c1)C1CC(C1)O)N	PC-id_91761217	318.397	WQVOOZMZKVAFSN-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-075556
c
(=NC(=O)C2(CCCCC2)n2cnnn2)/sc2c(CCC2)[nH]1	STOCK7S-26774,EMOLS-id_43036201,EMOLS-id_46565077,ZINC22_72402897,PC-id_60176321,MCULE-7092113540	318.397	VUZXUMLWRXOHFC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075557
Cc1nnc(N2CCN(C(=O)c3cnn4c3CCC4)CC2)s1	PC-id_145905614,EMOLS-id_320395639,MCULE-4250821348,ZINC22_1875274440	318.397	RSBSRUKPTHJCBN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075558
Cc1nsc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1	EMOLS-id_45762866,MCULE-9356832062,ZINC22_81457461,PC-id_71866686	318.397	BRIYDEQZQPQABM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075559
CN(C(=O)c1csc(n1)NC1CC1)Cc1nnc2n1CCC2	EMOLS-id_318129940	318.397	YIALFDJRFNVTBB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075560
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)c1scc(n1)C	EMOLS-id_319975551,MCULE-1932307612	318.397	DHOGTYWMDKMHND-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075561
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)Cc1cscn1	EMOLS-id_319565447	318.397	MUFSSCSSLJBEPH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075562
O=C(C1NCc2c1c[nH]n2)Nc1ncc(s1)C1CCNCC1	EMOLS-id_319345107	318.397	KNUQHOLSJKQKDF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075563
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1scc(n1)C1CCC1	EMOLS-id_319589455	318.397	HDCXQLMONPUNBE-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-075564
FC(CCCC(c1sc2c(n1)CCC2)(NC1CC1)C)(F)F	PC-id_116535756	318.401	QGMANMWKORONIO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075565
s1c2c(CCC2)cc1CNC1CCN(CC1)CC(F)(F)F	PC-id_61206672	318.401	QYAFRRJMNXYRHE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075566
Fc1ccc(cc1)C1(O)CCN(C1)Cc1sc2c(n1)CCC2	EMOLS-id_318424062	318.409	GKYSCBUPNMRJMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075567
OC1CC(N(C1)Cc1sc2c(n1)CCC2)c1ccc(cc1)F	EMOLS-id_318008424	318.409	UOFMUARGENRZFY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075568
OC1CC(N(C1)Cc1sc2c(n1)CCC2)c1cccc(c1)F	EMOLS-id_318266274	318.409	HNVLZAXNMBFIBO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075569
O=C(c1occ2c1CCC2)NC1CCN(CC1)C1CCOCC1	EMOLS-id_316700801	318.411	CHQJSUIYLNIGEL-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-075570
CC(CNS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2)C	PC-id_114814368	318.412	YWERRBDENFIFRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075571
CCOC(=O)C1CCc2c1nc(s2)NCCS(=O)(=O)C	PC-id_104288054	318.412	IYWVXSROSWFMHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075572
COCCN(C(=O)c1cc2c(s1)CCN2S(=O)(=O)C)C	PC-id_97524516	318.412	PWJLPQJWRMXWMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075573
OC(=O)C1CCc2c1nc(s2)NCC(S(=O)(=O)C)(C)C	PC-id_104289036	318.412	BVBUTENGXNWRPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075574
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)NC(C)(C)C	PC-id_114805415	318.412	PLZKQXVGACPUFH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075575
s1c2c(CCC2)cc1CNS(=O)(=O)N(CCC(=O)O)C	PC-id_65685162	318.412	ZSEASXZTQADXSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075576
s1c2c(CCC2)c(c1NS(=O)(=O)N(CC)CC)C(=O)O	PC-id_43328055	318.412	PAKIYUHPMMYRSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075577
s1c2c(CCC2)c(c1NS(=O)(=O)N(C(C)C)C)C(=O)O	PC-id_61455730	318.412	IHEKYEACDNHADU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075578
c1(CN2CCOC(C(=O)N3CCCC3)C2)c2CCCc2nn1C	EMOLS-id_324553799,MCULE-2137449027	318.414	CVNVAKNLZRMPBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075579
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)CC3CCCC3)C2)n1	EMOLS-id_316329790,MCULE-3701233061	318.414	NEGKSCUOOPBYGF-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075580
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)CC3CCCC3)C2)n1	MCULE-1476169944	318.414	NEGKSCUOOPBYGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075581
c1(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c2CCCc2[nH]n1	ZINC22_257215925,PC-id_110127891,MCULE-8231276459,EMOLS-id_44412982,BDE-33876512	318.414	CSFZXADGCJOUPQ-IIAWOOMASA-N	00000010100010000001100010000000000000000000000000000000	25-01-075582
c1(NC(=O)c2ccc(CSC)o2)sc2c(CCC2)c1C#N	EMOLS-id_322859753,MCULE-6018888143	318.414	XHFXVONNNJUYCS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-075583
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(cc1)C	EMOLS-id_322625605,MCULE-8338163308	318.414	DEXDRNLUSNPLNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075584
CC(C1CC(CN1C(=O)c1nn2c(c1)OCC2)N1CCCC1)C	MCULE-3626720397,EMOLS-id_319957085	318.414	WORHRBHDKWRBBK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075585
CCCC(=O)N1CCCCC1C(=O)NCc1cnc2n1CCC2	MCULE-9179187780,EMOLS-id_320054895	318.414	APPGMHBDEHDTQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075586
CC(C)n1nc2c(c1NC(=O)CN1CCCCCC1=O)CCC2	EMOLS-id_320363581,PC-id_139006699,MCULE-2489238643,ZINC22_471705319	318.414	JPIVYGKQDDOCEQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075587
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)C1CC1)C2	EMOLS-id_313737171,ZINC22_2055719472	318.414	MNJPDYLGJNPHCA-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-075588
CCN(C(=O)c1n[nH]c2c1CCC2)CC(=O)N1CCCCCC1	EMOLS-id_98818820	318.414	JPZQTHFJVAFTCT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075589
CC(=O)NCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109900	318.414	UBFBDEHDNYXEDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075590
Cn1nc2c(c1CN1CCO[C@H](C(=O)N3CCCC3)C1)CCC2	ZINC22_1889101151	318.414	CVNVAKNLZRMPBN-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075591
Cn1nc2c(c1CN1CCO[C@@H](C(=O)N3CCCC3)C1)CCC2	ZINC22_1889101152	318.414	CVNVAKNLZRMPBN-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075592
Cn1nc(C(=O)N2CCCC2)c2c1CN(CC1CCOCC1)C2	EMOLS-id_46160307,ZINC22_96066721,PC-id_97389061	318.414	GLWITEDEQQQGLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075593
CN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O	ZINC22_257309418,BDE-33873032,PC-id_110127422	318.414	UAWDGDHXZSPZJI-IIAWOOMASA-N	00000010100000000001100010000000000000000000000000000000	25-01-075594
N#Cc1c(sc2c1CCC2)NS(=O)(=O)Cc1ccccc1	CoCoCo_6400664	318.414	GIDWONGOBJCSLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075595
O=C(C1CCC(CC1)C(=O)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319176039	318.414	PKAYTFFGQCQEIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075596
O=C(C1CCC(CC1)N1CCOCC1)NC1CCn2c1ncc2	EMOLS-id_316592960	318.414	BIKOPXLCASPCIA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075597
O=C(C1CCCN1C(=O)C(C)(C)C)NCc1n[nH]c2c1CCC2	MCULE-4539147901,EMOLS-id_319910450	318.414	COWIHIAENSWQTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075598
O=C(C1CCC(=O)C(C1(C)C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_100950924	318.414	WITVHTRNVXPJOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075599
O=C(C1CCN(CC1)C(=O)C(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110789602	318.414	AGHVJTAGTGWGID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075600
O=C(C1CCN(CC1)C(=O)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319934682,MCULE-9167168872	318.414	VFKSNACZPWBHOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075601
O=C(c1cnc2n1CCC2)NC1CCN(CC1)C1CCOCC1	EMOLS-id_316731526	318.414	SNSDSAKNLRQGGN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075602
O=C(c1cnn2c1CCC2)NC1CC(C1(C)C)N1CCOCC1	MCULE-3060862348,EMOLS-id_320192180	318.414	IOXILIVHIUVIBQ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-075603
O=C(C1COCCN1C1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318976271	318.414	CWUIQRLVPQJYLL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075604
O=C(C1COCCN1C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319170323	318.414	XOHYHMHOCCBJRJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075605
O=C(C1NCc2c1c[nH]n2)N1CCCCC(C1)C1CCOCC1	EMOLS-id_319274942	318.414	OYCQJXCYKCCYJW-UHFFFAOYSA-N	00000010100010000101100010000000000000000000000000000000	25-01-075606
O=C(c1ncsc1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170440	318.414	TWVKRIHWYRLQIS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075607
O=C(c1n[nH]c2c1CCC2)N1CCCCC1CN1CCOCC1	EMOLS-id_316034505,MCULE-6147788991	318.414	YYCYKEVBZQOFSY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075608
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@H]1CN1CCOCC1	ZINC22_110956047	318.414	YYCYKEVBZQOFSY-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075609
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1CN1CCOCC1	ZINC22_110956049	318.414	YYCYKEVBZQOFSY-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075610
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)CC1CCOCC1	EMOLS-id_99406035	318.414	RKSZHGQPLKPNII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075611
O=C(c1n[nH]c2c1CCC2)NC1CCN(CC1)C1CCOCC1	EMOLS-id_319781474	318.414	RPQREKFFGKEREX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075612
O=C(c1n[nH]c2c1CCC2)NCC1(CCOCC1)N1CCCC1	EMOLS-id_98628861	318.414	NWRUWRWGWDYPFZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075613
O=C(c1n[nH]c2c1CN(C2)CC1CCCCC1)N1CCOCC1	PC-id_97411486	318.414	GWWIIRPNZDCAPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075614
O=C(CC1CCCCC1)NCCNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_97796951	318.414	XVINUQZOGUCZDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075615
O=C(C(NC(=O)C1CCCCC1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98830180	318.414	ZYXRYCFGZOFADY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075616
O=C(N1C(c2[nH]nc(NC(=O)C3CCC3)c2C1)(C)C)C(C)(C)C	PC-id_9973185	318.414	DPUUFSXIOKJSFB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-075617
O=C(N1C(c2[nH]nc(NC(=O)CC(C)C)c2C1)(C)C)CC1CC1	PC-id_10381220	318.414	GORHHIAHQPOGDO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-075618
O=C(N1CC(C1C1CCCO1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101422902	318.414	LXSRYELFJUJRJW-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-075619
O=C(N1CCC(CC1)C1CCCO1)NC1CC(n2c1ncc2)C	EMOLS-id_101421642	318.414	LRLZEXISESCRIB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075620
O=C(N1CCCC(C1)OCC1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101576907	318.414	JATODWHEVCNCSN-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-075621
O=C(N1CCOCC(C1)C1CCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101574711	318.414	NGVWNFMOMDEXGQ-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-075622
s1c2CCCc2cc1C(=O)Nc1sc(cn1)C#CCCO	PC-id_60804926	318.414	XBXDPVUTYUQCRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075623
s1c2c(CCC2)c(c1NC(=S)Nc1ccccc1)C(=O)O	PC-id_22299380	318.414	LTHAZCIJQNPUBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075624
s1c2c(CCC2)c(c1NS(=O)(=O)c1c(cccc1)C)C#N	PC-id_65663601	318.414	FJNMRDYUXXEQRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075625
s1c2CCCc2nc1NC(=O)c1cc(sc1)C#CCCO	PC-id_79690217	318.414	XGICILYRPQLSJD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075626
s1c2CCCc2nc1NC(=O)c1sc(cc1)C#CCCO	PC-id_61510225	318.414	UHYVSTOZMXSFNI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075627
s1c2CCCc2nc1NC(=O)c1sccc1C#CCCO	PC-id_63797479	318.414	RJVUVSUYMABYNQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075628
s1c2CCCc2nc1NC(=O)c1sc(c(c1)C)C#CCO	PC-id_79977352	318.414	PHHYXDVGLSRJCQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075629
C[C@H](NCc1ccc(c2ccncc2)cc1)c1cnn2c1CCC2	ZINC22_1875298777	318.415	NEZIJSHREYYDHQ-HNNXBMFYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-075630
C[C@@H](NCc1ccc(c2ccncc2)cc1)c1cnn2c1CCC2	ZINC22_1875298778	318.415	NEZIJSHREYYDHQ-OAHLLOKOSA-N	00000010100000111001100010000000000000000000000000000000	25-01-075631
CC1CC(CN1C(=O)NCc1nnc2n1CCC2)N1CCCC1	EMOLS-id_98539135	318.417	YUUUPAQJPSEAFA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075632
CCN1CCC2N(C(C1)CC2)C(=O)NCc1nnc2n1CCC2	EMOLS-id_101125011	318.417	VUKRUSYQZZYPKA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075633
Cn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_40608540,ZINC22_6369574,MCULE-2883379781,CoCoCo_2934432,EMOLS-id_24975870	318.417	LBLWZIOZJLYPOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075634
COc1c(CN[C@H](C)c2nnc3n2CCC3)c(C(C)C)nn1C	PC-id_94821808,ZINC22_58391404	318.417	WESBRRDDGYUJBW-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075635
COc1c(CN[C@@H](C)c2nnc3n2CCC3)c(C(C)C)nn1C	ZINC22_58391403,PC-id_94821807	318.417	WESBRRDDGYUJBW-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-075636
COc1n(C)nc(c1CNC(c1nnc2n1CCC2)C)C(C)C	EMOLS-id_33322337,MCULE-1937319535,PC-id_51104942	318.417	WESBRRDDGYUJBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075637
N#Cc1c(NC(=O)CCCc2cccs2)nc2n1CCS2	MCULE-5294756790,ZINC22_72287816,EMOLS-id_42895015,PC-id_60323779	318.417	NYCXKXNWDYZKRX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075638
O=C(c1sc2c(c1)cn[nH]2)NCCc1sc2c(n1)CCC2	MCULE-1209438537,EMOLS-id_319941040	318.417	NQMZBPZXYSKKPT-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-075639
O=C(N1CCCC1CN1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_98082195	318.417	ZKITXWIDSQNASU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075640
O=C(N1CCC(C1C)N1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_98804273	318.417	PBVGULOWQABQON-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075641
O=C(N1CCC(C1)CN1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_99997309	318.417	AZJXCKIYGVIIIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075642
O=C(N1CCC(C1)N1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_98755646	318.417	JESFEMDQNDEVSF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075643
O=C(N1CCCC(C1)N1CCCC1)NCc1nnc2n1CCC2	PC-id_71893454,EMOLS-id_45753828,MCULE-7921736905	318.417	GBYGTHRXHTTYJD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075644
O=C(N1CCN(CC1)C1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_97960234	318.417	OKAYPAJAUHQZQT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075645
O=C(NC(c1nnc2n1CCC2)C)NC1CN(CC1C)C1CC1	EMOLS-id_99836668	318.417	VDKXKDKXOUGMHX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-075646
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H](N2CCCC2)C1	PC-id_97080554,ZINC22_89819058	318.417	GBYGTHRXHTTYJD-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075647
O=C(NCc1nnc2n1CCC2)N1CCC[C@H](N2CCCC2)C1	PC-id_97080555,ZINC22_89819060	318.417	GBYGTHRXHTTYJD-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075648
s1c2CCCc2c(c1NC(=O)c1nc(sc1)CCN)C#N	PC-id_66388362	318.417	XZGCOTPVFSIGPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075649
s1c2CCCc2c(c1NC(=O)c1nc(sc1)C(N)C)C#N	PC-id_66388363	318.417	TULBJIMIYJIICJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075650
CC1(C)[C@H]2CC=C(CCOC(=O)c3cn4c(n3)SCC4)[C@@H]1C2	ZINC22_2325865651	318.434	KVHRBGHTTRWZLJ-STQMWFEESA-N	00001010100011000001001010000000000000000000000000000000	25-01-075651
CC(c1ccc(cc1)CS(=O)(=O)c1[nH]c2c(n1)CCC2)(C)C	EMOLS-id_318563192	318.434	HVVZBWWLEXEHQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075652
CCOc1ccc(cc1CO)NC(c1sc2c(n1)CCC2)C	PC-id_110017337	318.434	OROAWDPLGKFEED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075653
COc1ccc(cc1)C(CNC(c1sc2c(n1)CCC2)C)O	PC-id_110017268	318.434	KZCYOFZWDWRCBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075654
COc1cccc(c1)C(CNC(c1sc2c(n1)CCC2)C)O	PC-id_110017275	318.434	MTRBRHAJNKHMNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075655
OCCCc1ncc2n1CCC2SCc1ccc(cc1)OC	PC-id_139819158	318.434	USJHZWMFAKHZLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075656
OCCN(Cc1ccccc1OC)Cc1sc2c(n1)CCC2	PC-id_109974649	318.434	NQYBFKCMPQQNRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075657
OC(COc1cccc(c1)C)CNCc1sc2c(n1)CCC2	PC-id_109948546	318.434	IYDXVTMFKUCBDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075658
OCCOc1ccccc1CNC(c1sc2c(n1)CCC2)C	PC-id_110017286	318.434	IBMFAVIHAORLPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075659
O=C(NC1CC1)C1CCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_48989981,ZINC22_96402337,MCULE-6930832641,PC-id_72026659	318.434	UNMRWUWXQBKBEW-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-075660
s1cc2CN(/C(=N/Cc3ccccc3)/c2c1)Cc1ccccc1	PC-id_14249881	318.435	ZDTNRQOOQDQZOC-QZQOTICOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075661
c1(c(C)nc(C(C)C)s1)C(=O)N(C)Cc1c2CCCc2[nH]n1	MCULE-6672269354,ZINC22_92046405,EMOLS-id_46095833,PC-id_72935136	318.437	UVKXCEQSGNNKOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075662
c1(CN(C)CCC(=O)NCc2cccs2)c2CCCc2[nH]n1	PC-id_91837539,EMOLS-id_55665549,ZINC22_252490758,MCULE-5055854558	318.437	LAGRLAYKKGZTEX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075663
c1(C(=O)NCCc2sc3c(CCC3)n2)cc(nn1C)C(C)C	PC-id_50975850,EMOLS-id_32420542,ZINC22_65464494,MCULE-7405267058	318.437	WTAGIVJCTWWKBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075664
c1(NC(=O)C(CC(C)C)n2cccc2)n(C)nc2CSCc12	EMOLS-id_93423499,PC-id_121240019,MCULE-9441729051	318.437	OYBUWGWHXZPVLZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-075665
c1(NC(=O)CCCCCn2cccc2)n(C)nc2CSCc12	MCULE-6942373253,ZINC22_604419060,STOCK7S-67360,EMOLS-id_188944749	318.437	RJXPBDNUICEABB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-075666
c1(NC(=O)[C@@H](CC(C)C)n2cccc2)n(C)nc2CSCc12	EMOLS-id_104681296,STOCK7S-57217,ZINC22_263588087,MCULE-4243472902,PC-id_121542753	318.437	OYBUWGWHXZPVLZ-CQSZACIVSA-N	00000010110000000001000010000000000000000000000000000000	25-01-075667
c1(NC(=O)CN2CCN(CC2)CC)sc2c(CCC2)c1C#N	ZINC22_19790592,CoCoCo_221976,CoCoCo_221975,BAS-01909787,CHEMBL1337181,MCULE-6587345808,EMOLS-id_1355803,PC-id_727674	318.437	ZQANQZLXKMYHOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075668
c1(NC(=O)CNCC2CCNCC2)sc2c(CCC2)c1C#N	MCULE-7024035157	318.437	HJCRREVRCAUPNR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-075669
Cc1c([C@H]2OCC[C@@H]2NCc2nc3c(s2)CCC3)cnn1C	MCULE-6679620640,ZINC22_328645994,EMOLS-id_316040764	318.437	ZXLQCYKNKUMFGO-XJKSGUPXSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075670
Cc1c(NCc2sc3c(n2)CCC3)cnn1C1CCOCC1	EMOLS-id_317988110,MCULE-4269515903	318.437	DWBGSRAZCRSQNY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075671
Cc1[nH]nc(c1C1COCCN1Cc1sc2c(n1)CCC2)C	EMOLS-id_318536867	318.437	DZXCRHPFBICLQR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075672
Cc1noc(n1)C1CCC(CC1)NCc1sc2c(n1)CCC2	EMOLS-id_318401481,MCULE-3553615584	318.437	XIRYSMGTUULDEL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075673
Cc1onc(n1)C1(CCCCC1)NCc1sc2c(n1)CCC2	MCULE-8522726089,EMOLS-id_318276956	318.437	DHKYEILARCAFNV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075674
Cc1onc(n1)CN1CCCC(C1)NC1CCc2c1scc2	MCULE-6105466651,EMOLS-id_318673604	318.437	QJPNDFBVCWXXOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075675
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cn3c(n2)CCC3)s1	ZINC22_580895281	318.437	VPYCOKSHSBQFDS-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075676
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cn3c(n2)CCC3)s1	ZINC22_580895282	318.437	VPYCOKSHSBQFDS-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-075677
CCc1nc(c(s1)C(N(C(=O)c1cn2c(n1)CCC2)C)C)C	EMOLS-id_316909474,MCULE-8283079467	318.437	VPYCOKSHSBQFDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075678
CC(c1scc(n1)C(C)(C)C)NC(=O)c1cnc2n1CCC2	EMOLS-id_318417897	318.437	ANAOXXPTEGHSGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075679
CC(c1scc(n1)C(C)(C)C)NC(=O)c1cnn2c1CCC2	EMOLS-id_318675969	318.437	KYGMTVIVFRMHQF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075680
CC(c1scc(n1)C(C)(C)C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318654387	318.437	FPLFQRJWIZWZSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075681
CCCc1cc(C(=O)N(C)Cc2nnc3n2CCC3)sc1C	CoCoCo_4880089,MCULE-6080052900,PC-id_45819255,EMOLS-id_31936690,ZINC22_40523021	318.437	NYKPENOMTGROGB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075682
CCCc1cc(C(=O)N[C@H](C)c2nnc3n2CCC3)sc1C	PC-id_94024394,ZINC22_44934433	318.437	GCVYPTNXEZGYQK-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075683
CCCc1cc(C(=O)N[C@@H](C)c2nnc3n2CCC3)sc1C	ZINC22_44934430,PC-id_94024393	318.437	GCVYPTNXEZGYQK-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-075684
CCCc1cc(sc1C)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_31936098,PC-id_45819098,MCULE-4996508155	318.437	GCVYPTNXEZGYQK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075685
CC(Cc1nc(c(s1)C(=O)NCc1cnc2n1CCC2)C)C	EMOLS-id_319656158	318.437	RKEBFNDGLBYHGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075686
CCCc1sc(C(=O)NCc2nnc3n2CCC3)cc1CC	PC-id_45803626,CoCoCo_4560395,EMOLS-id_31870861,ZINC22_40486207,MCULE-3912261759	318.437	YCFURTYPRKCEFO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075687
CC(C)C[C@@H](C(=O)Nc1c2c(nn1C)CSC2)n1cccc1	ZINC22_575443251	318.437	OYBUWGWHXZPVLZ-AWEZNQCLSA-N	00000010110000000001000010000000000000000000000000000000	25-01-075688
CC(C)n1nc(CNC(=O)C)c2CN(Cc3ccsc3)Cc12	EMOLS-id_44369852,ZINC22_96259151,PC-id_97519239	318.437	GWZHOLCNBTVQDW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075689
CCn1ccnc1[C@H]1OCC[C@@H]1NCc1nc2c(s1)CCC2	ZINC22_328621672,MCULE-5499768835,EMOLS-id_316040995	318.437	AQIFWNCEFLMRDD-WFASDCNBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-075690
Cn1cc([C@H]2OCCC[C@@H]2NCc2nc3c(s2)CCC3)cn1	EMOLS-id_316024873,MCULE-6524909839,ZINC22_328629730	318.437	IPHNCTXKBQJCRX-XJKSGUPXSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075691
Cn1cc(c(n1)C(C)(C)C)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318710195	318.437	HHYPMTQFOJLEQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075692
Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1nc2c(s1)CCC2	ZINC22_328647573,MCULE-2932246102,EMOLS-id_316033467	318.437	UBOYECQEOSCQJN-WFASDCNBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075693
Cn1ncc(c1)[C@@H]1OCCC[C@H]1NCc1sc2c(n1)CCC2	MCULE-1735057872,EMOLS-id_318451075	318.437	IPHNCTXKBQJCRX-CJNGLKHVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075694
Cn1nccc1[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CCC2	MCULE-5080478930,ZINC22_328646145,EMOLS-id_112033736	318.437	SKPAQHFYWPKKOQ-MEDUHNTESA-N	00000010100000000001100010000000000000000000000000000000	25-01-075695
Cn1nc(cc1NCc1sc2c(n1)CCC2)C1CCCOC1	EMOLS-id_318371887,MCULE-5212561247	318.437	TXROOWMTZXDORS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075696
Cn1nc(CN2CCOCC2)c2c1CN(Cc1ccsc1)C2	ZINC22_96259142,EMOLS-id_44369836,PC-id_97519231,CHEMBL3551294	318.437	SDLOIOKUAHUYPB-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-075697
O=C(c1ccc(s1)C(C)(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318611351	318.437	SWDPLTLVZNQGAX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075698
O=C(c1cc(n(n1)C(C)(C)C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318508718	318.437	MUOWBFRLIFHJGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075699
O=C(c1cc(nn1C)C(C)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318588330	318.437	YUCGCYMBNYGDLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075700
O=C(c1cn(nc1C)C(C)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318594552	318.437	WASBUUZDUWQFJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075701
O=C(c1cnn(c1C)C(C)(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318617857	318.437	NCYPZEDPMDQNFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075702
O=C(c1sc(nc1C)C(C)(C)C)NCc1n[nH]c2c1CCC2	MCULE-4704934381,EMOLS-id_320201744	318.437	JUFZYVYAWDLFGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075703
O=C(Cc1c(C)nn(c1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318545427	318.437	FOKKOMALVQZACG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075704
O=C(Cc1csc(n1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319630586	318.437	ZOLYAQKAPXYMIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075705
O=C(Cc1csc(n1)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319286302	318.437	YYQBCXNXGHGCLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075706
O=C(Cc1nc(c(s1)C)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319503115	318.437	RTKXIPIXHZRKRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075707
O=C(Cc1nc(c(s1)C)C(C)C)NCc1n[nH]c2c1CCC2	MCULE-7792405012,EMOLS-id_320174270	318.437	ZXDNUSOHYCHZIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075708
OCCN(c1ccc(nc1)NC(c1sc2c(n1)CCC2)C)C	PC-id_110017331	318.437	YGUBZILKDAQDHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075709
O=C(NC1CC(n2c1ncc2)C)Cc1csc(n1)C(C)(C)C	EMOLS-id_318636322	318.437	QTVWMRHTXWTQAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075710
O=C(Nc1n(C)nc2c1CCC2)Cc1csc(n1)C(C)(C)C	EMOLS-id_317957061	318.437	QVDSMIVGSOYCNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075711
CC(c1nnc2n1CCC2)Nc1snc(n1)C1CCCCC1	EMOLS-id_102031304,MCULE-3569120523	318.44	ALRJKQCPBVBCGO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075712
CCNC(=NCc1nnc2n1CCC2)NCc1ccc(s1)C	PC-id_111020651	318.44	CUAFJHQPBPLLGU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075713
CCNC(=NCc1nnc2n1CCC2)NCc1sccc1C	PC-id_111020433	318.44	PNUPHHHFQZSOMD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075714
CCNC(=NCc1nnc2n1CCC2)NCCc1cccs1	PC-id_111020437	318.44	SYENJPGTZLQSKY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075715
CN=C(NCc1nnc2n1CCC2)NCc1ccc(s1)CC	PC-id_111020329	318.44	RLJSDQJRIUQRMX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075716
CN=C(NCc1nnc2n1CCC2)NCC(c1cccs1)C	PC-id_111791776	318.44	SVYXULUFMZXTDY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075717
CN=C(NCc1nnc2n1CCC2)NCC(c1ccsc1)C	PC-id_111703646	318.44	JYFPPRJPFUPXEN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075718
CN=C(N(CCc1cccs1)C)NCc1nnc2n1CCC2	PC-id_109549076	318.44	QSIGKVVQJQFIHE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075719
CCCCCc1cc2c(o1)C[C@H]([C@@H]2/C=C/[C@H](C/C=CCC)O)O	PC-id_141767016	318.45	NQKCSBIMQSFRNU-BSXRUPSISA-N	00000010100000000000000010000000000000000000000000000000	25-01-075720
c1(NC(=O)CCSc2ccc(cc2)C)sc2c(CCC2)n1	PC-id_7254584,CoCoCo_5138654,ZINC22_4496517,MCULE-6623665386,Chemmine_46300,EMOLS-id_5565942	318.457	CTUCKLNGOWOXQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075721
CC1CC(c2n1ccn2)NCC1(CCCCC1)N1CCOCC1	MCULE-5198407133,EMOLS-id_318157137	318.457	ATPODLXBWJESTE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075722
CC1CC(c2n1ccn2)NCC1(CCOCC1)N1CCCCC1	MCULE-9111974635,EMOLS-id_318365240	318.457	CAGWJPJKWNGIJP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075723
CC1CC(CCN1C(=O)NC1CC(n2c1ncc2)C)C(C)(C)C	EMOLS-id_101422890	318.457	FNCNIHGHLJLBOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075724
CC1CC(C)CN(C1)C(CNC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_101192203	318.457	GNLHZKZOFZZIAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075725
CC1CC(C)CN(C1)C(CNC(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_101192209	318.457	SJIQKFUUWFCRNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075726
CC1CC(C)CN(C1)C(CNC(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_98462346	318.457	SVISZZBQFUREJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075727
CC1CCN(CC1)C(C(C)C)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98038506	318.457	UWEOPXFWZOGZBM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075728
CCC1(CC)CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574927	318.457	INPXUDAFHAIRJX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075729
CCC1CCCN(C1)C(CNC(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_98931367	318.457	XVHIWNPZKKSYLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075730
CC(CC1(C)CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101422875	318.457	XCIISHBVWFRHSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075731
CC(CCC1CCCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101577102	318.457	DFHFQXCYYVHFFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075732
CC(CCC1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101418708	318.457	VCSGYJWLXQWXPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075733
CCN(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)CC	PC-id_92110006	318.457	VIILKDLXMKECKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075734
CN(CC(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)(C)C)C	EMOLS-id_319960182,MCULE-3493541319	318.457	BNKLXLPQGTZDQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075735
OC1(CCN(CC1)Cc1cc2n(n1)CCC2)CN1CCCCC1	EMOLS-id_319631351	318.457	XURRGFIWIODZSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075736
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](c2nccs2)C1	ZINC22_171644395	318.457	KRHFAPFACJGTGB-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075737
O=C(c1cc2c(s1)CCC2)N1CCC[C@H](c2nccs2)C1	ZINC22_171644398	318.457	KRHFAPFACJGTGB-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075738
O=C(c1n[nH]c2c1CCC2)NC(CCN1CCCCCC1)(C)C	EMOLS-id_100232074	318.457	CQTWPCDCFJBKNK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075739
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)c1nccs1	MCULE-2513459207,PC-id_110106769,BDE-32100868,EMOLS-id_46589671	318.457	KRHFAPFACJGTGB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075740
O=C(C(C)(C)C)N1CCC(CC1)NC(c1nn2c(c1)CCC2)C	MCULE-3131712373,EMOLS-id_318365942	318.457	IQTIQZQPXMMLKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075741
O=C(N1CCCC(CC1)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101579241	318.457	HHYURYTZUFRDHN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075742
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)NC(C)(C)C	PC-id_92109969	318.457	FTBSYBAFBBRELO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075743
O=C(N(C1CCCC1C(C)(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101981389	318.457	JQHBZQYBHPYLSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075744
O=C(NC1CC(n2c1ncc2)C)NC1CCCCC1C(C)(C)C	EMOLS-id_101541349	318.457	JGYBERZNDUATNH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075745
O=C(NC1CC(n2c1ncc2)C)NC1CCCC(CC1)C(C)C	EMOLS-id_101420421	318.457	HOEKKNNTOAGUCT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075746
O=C(NC1CC(n2c1ncc2)C)NCC(C1CCCCC1)(C)C	EMOLS-id_101372527	318.457	FFVKJXFKLNXBFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075747
O=C(N(Cc1n2CCCc2nn1)C)C1CCC(CC1)CCCC	PC-id_52548019	318.457	QHAJYRSVDOZVBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075748
O=C(N(C(CN1CCCCCC1)(C)C)C)c1n[nH]c2c1CCC2	EMOLS-id_100694441	318.457	RLXIOSFEGXEOGX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075749
s1c2c(CCC2)c(c1NC(=O)CCC[NH+]1CCCCC1)C#N	PC-id_51389716	318.457	OZAOTAOMBBCBCH-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075750
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C)C#N	PC-id_30100424	318.457	BJWPTTRNOSEPQP-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075751
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CC(CCC1)C)C#N	PC-id_74605320	318.457	RLKZMMSVABUIKM-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075752
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCCCCC1)C#N	PC-id_51928870	318.457	UBEXTMASNDKWLO-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-075753
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@@H](CCC1)C)C#N	PC-id_30099819	318.457	RLKZMMSVABUIKM-GFCCVEGCSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075754
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@H](CCC1)C)C#N	PC-id_30099821	318.457	RLKZMMSVABUIKM-LBPRGKRZSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075755
s1c2c(CCC2)c(c1NC(=O)C[N+](C1CCCC1)(C)C)C#N	PC-id_8875595	318.457	DLKPQHHYZFQYCM-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-075756
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CC(C1)C)C)C#N	PC-id_84875022	318.457	LUSYUOQSMYBSMD-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075757
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](C[C@@H](C1)C)C)C#N	PC-id_8931027	318.457	LUSYUOQSMYBSMD-TXEJJXNPSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075758
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](C[C@@H](C1)C)C)C#N	PC-id_8931030	318.457	LUSYUOQSMYBSMD-RYUDHWBXSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075759
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](C[C@H](C1)C)C)C#N	PC-id_8931032	318.457	LUSYUOQSMYBSMD-VXGBXAGGSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075760
[Si](C1c2c(CC1=O)cn(c2)CCCCCC)(CC)(CC)CC	PC-id_15364586	319.557	MCUOBWTVZXBVOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076495
s1c2c(CCC2)c(c1NC(=O)C[NH+](C1CCCCC1)C)C#N	PC-id_40706181	318.457	AMLLMORKSUSTAG-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-075761
s1c2CCCc2nc1NC(=O)c1ccc(CSCC)cc1	PC-id_52378559	318.457	PQHOGZZKBALBNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075762
s1c2CCCc2nc1NC(=O)CSCc1ccc(cc1)C	PC-id_33039610	318.457	ZPNRKTHLXQZLKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075763
CCNCCCN(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053399	318.459	DXTZZVOMBZCGCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075764
CCCC1(C)CCCN(C1)C(=NC)NCc1nnc2n1CCC2	PC-id_109490562	318.46	PJOYYBJUYBYEJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075765
CCC(C1CCN(C1)C(=NC)NCc1nnc2n1CCC2)CC	PC-id_111743707	318.46	NGUDPMDZLSCWBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075766
C=CCCCCCN(C(=NCc1nnc2n1CCC2)NCC)C	PC-id_109483267	318.46	FQOLAAMBKFQIIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075767
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)CC(C)C	PC-id_111734175	318.46	ZNTLPLRMGFXOLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075768
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)(CC)CC	PC-id_120059745	318.46	CRBSDHPFQHONSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075769
CCNC(=NCc1nnc2n1CCC2)NCC1(CC)CCCC1	PC-id_112394002	318.46	DYGHVEQCVDGFQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075770
CCNC(=NCc1nnc2n1CCC2)NCCCC1CCCC1	PC-id_111020149	318.46	CVEOGHFHXDPHCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075771
CN=C(NC1CCC(CC1)C(C)C)NCc1nnc2n1CCC2	PC-id_109841590	318.46	QISBHJYNKIJTPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075772
CN=C(NCC1(CCC1)CC(C)C)NCc1nnc2n1CCC2	PC-id_109683527	318.46	NMVGVRYMEKXTNY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-075773
CN=C(NCc1nnc2n1CCC2)NCCC1CCCC(C1)C	PC-id_111557865	318.46	NYZKKWXDTPUWKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075774
CN=C(NCc1nnc2n1CCC2)NCCCC1CCCCC1	PC-id_111020151	318.46	JKERSLYDMFDDET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075775
CN=C(NCc1nnc2n1CCC2)NCCCCC1CCCC1	PC-id_111608636	318.46	SMJGTSMJJFEORE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075776
CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_5871198	318.477	SQVLKPZKBMFJEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075777
CC(N1Cc2c(C1)cc(s2)C(=O)NCCC1=CCCCC1)C	PC-id_53171007	318.477	CDDQSYQPKHOBPC-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-075778
NCC1(CCC1)C1CCCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_319565468	318.477	UDOCQLOBMUQKNG-UHFFFAOYSA-N	00001010100010000000100010000000000000000000000000000000	25-01-075779
O=C(c1cc2c(s1)CCC2)N1CCC(N2CCCCC2)CC1	PC-id_53537297,EMOLS-id_36645372,MCULE-1386575004,ZINC22_58937027	318.477	CQFYGINCBRXUQU-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-075780
s1c2CCCc2cc1C(=O)N/N=C
/CCC(C(C)(C)C)CC1	PC-id_9462572	318.477	FDDOKAFOCAMSNI-RGEXLXHISA-N	00000010100010000000000010000000000000000000000000000000	25-01-075781
Cc1nn(c(c1CNCc1sc2c(n1)CCC2)C)C(C)(C)C	EMOLS-id_318450216,MCULE-3959091154	318.48	JOEKWBCSUJFGKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075782
CC(c1cnn(c1C)C(C)(C)C)NCc1sc2c(n1)CCC2	MCULE-1438942927,EMOLS-id_318654555	318.48	OYDVTSPKGUEPRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075783
CCC1CCCN(C1)C(CNC(c1nn2c(c1)CCC2)C)(C)C	EMOLS-id_318372678	318.5	JOYKZMKYIXVXSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075784
s1c2CCCc2nc1C(NCCC)c1ccc(SC)cc1	PC-id_61334201	318.5	SZFSNMJHMKCCSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075785
s1c2CCCc2nc1C(NC(C)C)c1ccc(SC)cc1	PC-id_61336202	318.5	XMNOTKIRAXKTJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075786
Clc1sc2CCC(Nc3cc(Cl)cc(Cl)c3)c2c1	PC-id_81251586	318.649	WZDWNNUMBPXDFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075787
Clc1sc2CCC(Nc3cc(Cl)c(Cl)cc3)c2c1	PC-id_81252155	318.649	FBRQGFAWRRPQNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075788
Clc1sc2CCC(Nc3c(Cl)cccc3Cl)c2c1	PC-id_81252508	318.649	JHHXNJGZZGWFDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075789
Clc1sc2CCC(Nc3c(Cl)ccc(Cl)c3)c2c1	PC-id_81252877	318.649	VZDRSJZLBZYAOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075790
Clc1sc2CCC(Nc3c(Cl)cc(Cl)cc3)c2c1	PC-id_81252979	318.649	OSPIMSJLFSDSIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075791
Clc1sc2CCC(Nc3c(Cl)c(Cl)ccc3)c2c1	PC-id_81252677	318.649	QWSRIYBMIQDMLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075792
Clc1sc2CCC(Nc3ccc(nc3)C(F)(F)F)c2c1	PC-id_82812371	318.745	BOQQNECKRVGEGQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-075793
Clc1cc(N/N=C/c3n(N=C2C)c(nn3)CC)c(OC)cc1	PC-id_21357236	318.761	NUKUPVOWRJJLLC-QGOAFFKASA-N	00000011100000110001000010000000000000000000000000000000	25-01-075794
Clc1cc(N/N=C/2c3n(N=C2C)c(nn3)CC)c(OC)cc1	PC-id_59093729	318.761	NUKUPVOWRJJLLC-AQTBWJFISA-N	00000011100000110001000010000000000000000000000000000000	25-01-075795
Clc1cc(NN=C2c3n(N=C2C)c(nn3)CC)c(OC)cc1	PC-id_73772065	318.761	NUKUPVOWRJJLLC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-075796
c1(c(cccc1Cl)O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7893420536,EMOLS-id_328172581	318.778	LVQSLCOLTQXSJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075797
c1(cccc(Cl)c1O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4817933948,EMOLS-id_328146515	318.778	RMHGOYFHQDDNTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075798
c1(cc(Cl)ccc1O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328066295,MCULE-6445514234	318.778	DEYXOFDMNFILTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075799
Clc1ccc(cc1)C(=O)CSc1nc2c([nH]1)C(=CC2=O)C	PC-id_4598548,Chemmine_59924	318.778	FAWGALCFYXHBCB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-075800
N#Cc1c(NC(=O)c2cc(Cl)ncc2N)sc2c1CCC2	PC-id_105613075	318.781	MGMSUQLEPIOOLN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-075801
N#Cc1c(NC(=O)c2cc(N)cnc2Cl)sc2c1CCC2	PC-id_108153526	318.781	YSAQDMFHMWJLDU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-075802
N#Cc1c(NC(=O)Cc2cccc(Cl)c2)nc2n1CCS2	EMOLS-id_42895009,MCULE-9716782526,PC-id_72132797,ZINC22_72287813	318.781	OXMQWLUSADXGGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075803
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(CC)c2)Cl)n1	MCULE-6225952696,EMOLS-id_330986995	318.798	QYTOWIAPCYPINT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075804
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(CC)c1)Cl	EMOLS-id_330965951,MCULE-3816699837	318.798	HUDIURBPTJTKSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075805
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2C)Cl)n1	EMOLS-id_330991353,MCULE-7832921412	318.798	QTJMVSGBKHQBHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075806
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2Cl)C)n1	MCULE-1457564101,EMOLS-id_330990072	318.798	LGLVJCAGNOYYJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075807
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(C)c2Cl)n1	EMOLS-id_330990584,MCULE-6977864956	318.798	XLJNLHSHQQWLOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075808
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(C)c2)Cl)n1	MCULE-4693800462,EMOLS-id_330991609	318.798	ZZQLIJXNCOWXPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075809
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)ccc2Cl)n1	MCULE-8167786582,EMOLS-id_330990840	318.798	FQPGGRUVMKAXJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075810
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(C)cccc2Cl)n1	MCULE-8754831662,EMOLS-id_330990328	318.798	WCMJSQWQPNQZJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075811
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)cc(Cl)c2)n1	MCULE-8349287920,EMOLS-id_330993144	318.798	BXOYMGDGXVZSJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075812
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)C)n1	EMOLS-id_330992632,MCULE-1587229869	318.798	HRLBKVPDMKZZIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075813
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(Cl)c2C)n1	MCULE-4467626385,EMOLS-id_330992888	318.798	WLDHWJUBXYWHOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075814
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(Cl)ccc2C)n1	MCULE-5922352005,EMOLS-id_330993400	318.798	HWKKUOWWGPNEAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075815
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1C)Cl	MCULE-6506115710,EMOLS-id_330977204	318.798	JHSBATVBHBLSLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075816
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1Cl)C	MCULE-3945063601,EMOLS-id_330975923	318.798	UYDBPMLTSKKYHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075817
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)Cl	EMOLS-id_330973365,MCULE-6753760565	318.798	ORTJWYIBFPKFLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075818
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)ccc1Cl	EMOLS-id_330976691,MCULE-6726006961	318.798	ZUKXGTUNDRAZAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075819
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(C)c1Cl	MCULE-4732725963,EMOLS-id_330976435	318.798	UBWBAWLALZRZBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075820
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)cc(Cl)c1	EMOLS-id_330974900,MCULE-8573112845	318.798	NSEUINBIYRPJPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075821
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(Cl)c1C	MCULE-6859823454,EMOLS-id_330974644	318.798	NGYDBRZHTAPARS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075822
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)C	MCULE-8761388461,EMOLS-id_330974388	318.798	OTZSZJWACDAPPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075823
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(Cl)ccc1C	MCULE-4572333949,EMOLS-id_330975156	318.798	LGUBRCYNGZMRIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075824
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2Cl)n1	EMOLS-id_330994942,MCULE-8651537990	318.798	YUYHJXAQBNQHAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075825
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)Cl)n1	MCULE-8857770817,EMOLS-id_330996223	318.798	SNTSYNBHMWNLHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075826
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)Cl	EMOLS-id_330981050,MCULE-7765043848	318.798	KVZGNQIUCOQRBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075827
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1Cl	MCULE-8655331960,EMOLS-id_330979769	318.798	SPZOKVRSPGELOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075828
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1Cl	MCULE-3891465331,EMOLS-id_330959286	318.798	SBAICBMBRHEACR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075829
COC(=O)c1c2C(C)CCc2nn1Cc1c(C)cccc1Cl	MCULE-5299420759,EMOLS-id_330976179	318.798	ZKYNCMZUVGWXJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075830
c1(CNC(=O)NCc2ccc(Cl)cc2)c2CCCc2nn1C	PC-id_91819412,EMOLS-id_53884693,ZINC22_225818724,MCULE-7040987471	318.801	KRGWNQMWUHOUCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075831
Cc1c(cc(cc1)CC(=O)NC(C)c1nnc2n1CCC2)Cl	PC-id_136562728,MCULE-9037657516,EMOLS-id_316962449	318.801	WFYKXNBRHIJRHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075832
Cc1cc(c(c(c1)Cl)NC(=O)C(C)N1CCn2c1ncc2)C	MCULE-3041991785,EMOLS-id_316981663,PC-id_136563296	318.801	KYELZDSIFUUOPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075833
Cc1ccc(CC(=O)N[C@H](C)c2nnc3n2CCC3)cc1Cl	ZINC22_930485024	318.801	WFYKXNBRHIJRHR-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075834
Cc1ccc(CC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1Cl	ZINC22_930485025	318.801	WFYKXNBRHIJRHR-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-075835
Cc1cc(C)c(NC(=O)[C@@H](C)N2CCn3ccnc23)c(Cl)c1	ZINC22_931526044	318.801	KYELZDSIFUUOPM-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075836
Cc1cc(C)c(NC(=O)[C@H](C)N2CCn3ccnc23)c(Cl)c1	ZINC22_931526045	318.801	KYELZDSIFUUOPM-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075837
CCc1ccc(c(c1NC(=O)N1CCn2c1ncc2)CC)Cl	EMOLS-id_318537876	318.801	DMDXTTDXKDDOFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075838
CCNc1ccc(cc1C(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_319729876	318.801	NEALVFBLCHHPPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075839
Clc1ccc(cc1)[C@@H]1OCC[C@H]1NC1CC(n2c1ncn2)C	EMOLS-id_318562995	318.801	QNEVUVMAGJMVCK-USYNWVHXSA-N	00000010100000110001100010000000000000000000000000000000	25-01-075840
Clc1cccc(c1)CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318639119	318.801	WHFWUSWGNLSTNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075841
Clc1ccc(c(c1)NC(=O)N1CCn2c1ncc2)C(C)(C)C	EMOLS-id_316728021	318.801	GBDHZRCDNDKQAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075842
Cn1nc2c(c1CN[C@H](C(=O)N)c1ccc(Cl)cc1)CCC2	ZINC22_1474299101	318.801	PLCOSFXIPCLXIQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075843
Cn1nc2c(c1CN[C@@H](C(=O)N)c1ccc(Cl)cc1)CCC2	ZINC22_1474299102	318.801	PLCOSFXIPCLXIQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075844
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccc(cc1)Cl)C)C	PC-id_97405272	318.801	FJEOGHVXMJAQCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075845
CN(C)Cc1nn(C)c2c1CN(C(=O)c1cccc(Cl)c1)C2	PC-id_97405271,ZINC22_96084445,EMOLS-id_46181897	318.801	FNSHKHUVFPBPES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075846
CN(C(=O)c1ccc(cc1Cl)NCc1cnc2n1CCC2)C	EMOLS-id_318169602,MCULE-4350401345	318.801	HKEFMYBLURFNSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075847
CN(C(=O)c1ccc(c(c1)NCc1cnc2n1CCC2)Cl)C	MCULE-2870297853,EMOLS-id_318692164	318.801	NEFUNECYTVVGRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075848
NC(=O)C(c1ccc(cc1)Cl)NCc1n(C)nc2c1CCC2	EMOLS-id_319215470,PC-id_146104683,MCULE-2596410483	318.801	PLCOSFXIPCLXIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075849
O=C(c1ccc(c(c1Cl)C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318381271	318.801	LFRFGCSMCYLLIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075850
O=C(c1cc(C)c(cc1C)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318539744	318.801	YNEKXOAIKDHIKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075851
O=C(c1cc(C)c(cc1Cl)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318429552	318.801	IIAMPBQBWFQVRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075852
O=C(C(N1CCn2c1ncc2)C)NC(c1ccc(cc1)Cl)C	EMOLS-id_318439549	318.801	JWHCDELTAPRJDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075853
O=C(NC1CC(n2c1ncc2)C)Nc1cc(C)c(c(c1)C)Cl	EMOLS-id_101413705	318.801	HGFBNAWLSMEBCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075854
O=C(NC1CC(n2c1ncc2)C)Nc1cc(C)c(cc1Cl)C	EMOLS-id_101450668	318.801	LJHZXRXJELHATQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075855
Clc1nc(cn1C)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318504852	318.803	ZZHJYYDGAMXWNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075856
Clc1n(cnc1S(=O)(=O)Nc1sc2CCCc2n1)C	PC-id_60746347	318.803	MYKHVKYEMLVPGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075857
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)Cl	PC-id_111020201	318.805	OOMXFRFBBUKJOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075858
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1Cl	PC-id_111020219	318.805	DMWOHSIAXGCSMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075859
CCN1C(=S)n2c([C@H]1CC(=O)c1ccc(cc1)Cl)ccc2	CoCoCo_5778381,NSC711188	318.821	VIZFXTAZCFOHAF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075860
CCN1C(=S)n2c([C@@H]1CC(=O)c1ccc(cc1)Cl)ccc2	CoCoCo_5778382	318.821	VIZFXTAZCFOHAF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075861
Clc1c(C2C(C2)C(=O)Nc2sc3CCCc3n2)cccc1	EMOLS-id_33339955,PC-id_51111588,MCULE-3413441118	318.821	AVAPQXGGIPZHAP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075862
Clc1ccc(C(=O)CC2N(C(=S)n3c2ccc3)CC)cc1	PC-id_400006	318.821	VIZFXTAZCFOHAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075863
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@@H]1c1ccccc1Cl	PC-id_52537305,ZINC22_58423666	318.821	AVAPQXGGIPZHAP-MNOVXSKESA-N	00100010100000110001100010000000000000000000000000000000	25-01-075864
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@H]1c1ccccc1Cl	ZINC22_58423665,PC-id_52537304	318.821	AVAPQXGGIPZHAP-QWRGUYRKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075865
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@H]1c1ccccc1Cl	ZINC22_58423668,PC-id_52537306	318.821	AVAPQXGGIPZHAP-WDEREUQCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075866
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@@H]1c1ccccc1Cl	ZINC22_58423669,PC-id_52537307	318.821	AVAPQXGGIPZHAP-GHMZBOCLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-075867
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330959542,MCULE-6894050376	318.841	AMGABQYDSFMIDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075868
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960054,MCULE-1320204170	318.841	CUAZOQQDLMSILS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075869
CCCOc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1	EMOLS-id_331009460,MCULE-9280830864	318.841	FJSKSROONPVWSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075870
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1	MCULE-2617001663,EMOLS-id_331009716	318.841	SHGUKOJWXZEQFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075871
CCCOc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1	EMOLS-id_331025418,MCULE-6058061057	318.841	VODLWBFRAQUPSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075872
CC(C)Oc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1	MCULE-5479973299,EMOLS-id_331025674	318.841	WQBFFLAYWZKEFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075873
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008700,MCULE-6599865948	318.841	TXDWCVUJMAFXAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075874
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009982,MCULE-8090508658	318.841	KAJCPKXWRZXVOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075875
CCOc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1C	EMOLS-id_331006133,MCULE-8071889176	318.841	MQXHHMANFQGWOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075876
CCOc1ccc(Cn2nc3CCC(C)c3c2CCl)c(C)c1	MCULE-9540138559,EMOLS-id_331008180	318.841	JAZQNHVLSIHNRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075877
CCOc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1C	EMOLS-id_331026186,MCULE-3224968188	318.841	KARHYYFVPSDIQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075878
CCOc1ccc(Cn2nc(CCl)c3C(C)CCc23)c(C)c1	MCULE-9463454166,EMOLS-id_331024138	318.841	OKROBNCBSLSFTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075879
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331007164,MCULE-6201826797	318.841	YZWURQXJXYDHCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075880
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958778,MCULE-7161381946	318.841	FMMOLHRYXWLBEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075881
COc1cc(C)c(Cn2nc3CCC(C)c3c2CCl)cc1C	MCULE-2286910735,EMOLS-id_331009204	318.841	LGIOMSJILAWPMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075882
COc1c(C)cc(Cn2nc3CCC(C)c3c2CCl)cc1C	MCULE-4502131016,EMOLS-id_331009972	318.841	LPABYJNAHBSJBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075883
COc1ccc(C(C)n2nc3CCC(C)c3c2CCl)c(C)c1	MCULE-5175261920,EMOLS-id_331007420	318.841	OYXGSGIQNJXOJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075884
COc1cc(C)c(Cn2nc(CCl)c3C(C)CCc23)cc1C	MCULE-4167397770,EMOLS-id_331025162	318.841	BKCAHNQJVKMCHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075885
COc1c(C)cc(Cn2nc(CCl)c3C(C)CCc23)cc1C	MCULE-8243533441,EMOLS-id_331025930	318.841	FPRJSGMZBFWZIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075886
COc1ccc(Cn2nc3CCC(C)c3c2CCl)c(C)c1C	MCULE-7036621733,EMOLS-id_331008948	318.841	FATAZGCBCLHKGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075887
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)c(C)c1C	EMOLS-id_331024906,MCULE-6738919542	318.841	DZGFYUYCERONKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075888
ClCCCCS(=O)(=O)Nc1sc2c(c1C#N)CCC2	PC-id_116815047	318.843	NEDCRLBRTCTZSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075889
ClCC(CS(=O)(=O)Nc1sc2c(CCC2)c1C#N)C	PC-id_79586252	318.843	PYHDPUXRBOSWDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075890
CN(CC(c1ccc(cc1)Cl)NCc1cnc2n1CCC2)C	EMOLS-id_318264899	318.844	VGWIKENKWZGBMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075891
Clc1cc(ccc1C)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_106818077	318.864	SBMKYZFBXALIAW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-075892
Clc1ccc(c(c1)C)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_108386646	318.864	ZOWQNNKOSJNCEK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-075893
Clc1sc2c(C(Nc3ccc(N4CCCC4)cc3)CC2)c1	PC-id_81233749	318.864	NYPRFAFNPUOTCV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-075894
Clc1sc2c(C(Nc3cc(N4CCCC4)ccc3)CC2)c1	PC-id_81234251	318.864	BDZFTPLFIRFROV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-075895
Clc1sc2c(C(Nc3c(N4CCCC4)cccc3)CC2)c1	PC-id_81234652	318.864	DXKIHHNQEVFOCO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-075896
ClC(c1sc2c(CCC2)c1)c1c(c(c(c(c1C)C)C)C)C	PC-id_63429440	318.904	ZVNDRSRMGFJTIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075897
ClC(c1sc2c(CCC2)c1)c1ccc(C(CC)(C)C)cc1	PC-id_66258817	318.904	QITAQWCDHKUITQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075898
COC1CN2C=C(C=C2C1(C(=O)C3=CC=CC=C3)C(=O)O)Cl	PC-id_160650122	319.061	RKHPNRDGMMQYAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075899
C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)N=CC3=CC4=CC=CN4	PC-id_154452353	319.078	HTKNCWWXKULUJO-UHFFFAOYSA-N	00000011110000110000000010000000000000000000000000000000	25-01-075900
CC1=C(SC(=C1C(C)C)C(=O)N[C@@H]2CCC3=C2C=CS3)C	PC-id_155135520	319.106	UYRVIBIRSLTADK-CYBMUJFWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-075901
COC[C@@H](C1=CC(=CC=C1)Cl)NC(=O)C2=CN3CCCC3=N2	ZINC22_570801755,PC-id_164640472	319.109	ACDLVIGCEUPLJH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075902
CN1C=NC(=CC1=O)NC(=O)NCCC2=NC3=C(S2)CCC3	PC-id_154770418,EMOLS-id_317379586,MCULE-8005819191	319.11	DSZHEFMILPAEPT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075903
Clc1sc(Cl)c2[C@H](N)C[C@H](NC(=O)C(F)(F)F)c12	PC-id_10926345	319.131	BZXMOWSBSFCDOB-GBXIJSLDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075904
Clc1sc(Cl)c2C(N)CC(NC(=O)C(F)(F)F)c12	PC-id_85318203	319.131	BZXMOWSBSFCDOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075905
O=C(C(F)(F)F)N[C@@H]1C[C@@H](c2c1c(Cl)sc2Cl)N	PC-id_102378757	319.131	BZXMOWSBSFCDOB-STHAYSLISA-N	00000010100000000000000010000000000000000000000000000000	25-01-075906
CC(C)C1=NC(=CS1)CC(=O)NC(C)C2=NN=C3N2CCC3	EMOLS-id_257873217,MCULE-5556484398,PC-id_154773865	319.147	PLORCTPOPJFXTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075907
N#Cc1cnc(c(c1)Br)NCc1nnc2n1CCC2	MCULE-7333523842,EMOLS-id_318525034	319.16	ZQBNDJXZXZORBB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075908
N#Cc1ncc(cc1NCc1nnc2n1CCC2)Br	MCULE-3897463953,EMOLS-id_318528546	319.16	VWFZKFBBYQXBPD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-075909
C1CC2=NN=C(N2C1)CN3CCN(CC3)C4=C(C=C(C=C4)F)F	MCULE-4009077512,PC-id_165431708,EMOLS-id_337896549	319.161	JFGXJZUKEITIDI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-075910
c12C(C)CCc1n(nc2I)CCN(C)C	MCULE-7975588499,EMOLS-id_330984436	319.185	CRTCXNBBVGRKFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075911
c12C(C)CCc1nn(CCN(C)C)c2I	EMOLS-id_330965686,MCULE-3977301056	319.185	BRQZZEXRBJEKMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075912
CC(C)(C)OC(=O)CN1C2=C(CCC2)C(=N1)C(=O)N3CCCC3	PC-id_153600169	319.19	ZYRGYHNWENQCNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075913
CC1CCc2c1c(C=O)nn2Cc1ccc(Br)cc1	EMOLS-id_331002611,MCULE-2636474071	319.196	UQJZHEACEHPYQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075914
CC1CCc2c1c(C=O)nn2Cc1cccc(Br)c1	EMOLS-id_331003891,MCULE-2381179989	319.196	SDBBFSAOJQTKLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075915
CC1CCc2c1c(C=O)nn2Cc1ccccc1Br	MCULE-3600732210,EMOLS-id_331005683	319.196	HEANUUCIMQYGOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075916
CC1CCc2nn(Cc3ccc(Br)cc3)c(C=O)c12	MCULE-3335018973,EMOLS-id_330982334	319.196	FYGHIWWGAZRXKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075917
CC1CCc2nn(Cc3cccc(Br)c3)c(C=O)c12	MCULE-8778463066,EMOLS-id_330983614	319.196	PKMXNHKXDBYBTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075918
CC1CCc2nn(Cc3ccccc3Br)c(C=O)c12	EMOLS-id_330985406,MCULE-5783827096	319.196	RBNAKASFJOEORB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075919
Clc1cc(F)c(cc1C(c1sc2c(c1)CCC2)Cl)F	PC-id_113963957	319.197	KSAZSTKVHFQKAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075920
C1CN(CCC1C(=O)N2C3=C(CNC3)C(=N2)N)C4CCOCC4	PC-id_153994942	319.201	YHKBGQAUNGAOKP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-075921
O=C(N1Cc2c([C@@H]1C)nc(s2)Br)OC(C)(C)C	PC-id_144742202	319.218	PGZQDERSWGLLSW-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-075922
Clc1sc(Cl)cc1C(=O)Nc1sc2CCCc2n1	PC-id_24155370	319.23	HGGBFOQFKGGAEO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-075923
CCN1C[C@@H](N(C[C@H]1C)C(=O)C2CC3=C(C2(C)C)NN=C3N)C	PC-id_164711178	319.237	OSUAUDWRMGVTTF-ILWADHIDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075924
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)CC	EMOLS-id_330966265,MCULE-5771829457	319.239	RKAFAJCANZDZPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075925
CC1CCc2c1c(Br)nn2Cc1ccc(C)cc1C	EMOLS-id_330967545,MCULE-7682297856	319.239	QIFJFRCGUGXAIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075926
CC1CCc2c1c(Br)nn2Cc1cc(C)ccc1C	EMOLS-id_330969841,MCULE-9738633706	319.239	IOOZJKKXDIGJNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075927
CC1CCc2c1c(Br)nn2Cc1c(C)cccc1C	EMOLS-id_330970097,MCULE-4729424310	319.239	HLNFYFYSRCTGEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075928
CC1CCc2c1c(Br)nn2Cc1cccc(C)c1C	EMOLS-id_330970353,MCULE-8404347008	319.239	XXICYKGBFASXRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075929
CC1CCc2c1c(Br)nn2Cc1ccc(C)c(C)c1	EMOLS-id_330966009,MCULE-5815589351	319.239	UJFBORGJVRISCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075930
CC1CCc2c1c(Br)nn2Cc1cc(C)cc(C)c1	MCULE-8781227162,EMOLS-id_330969586	319.239	XKMIDNLACCNATD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075931
CC1CCc2c1c(CBr)nn2Cc1ccccc1C	EMOLS-id_331033861,MCULE-3290968684	319.239	OZJUXIUSDPZSNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075932
CC1CCc2c1c(CBr)nn2Cc1cccc(C)c1	EMOLS-id_331033606,MCULE-6080624911	319.239	UIPVYQQDVDUTIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075933
CC1CCc2c1c(CBr)nn2Cc1ccc(C)cc1	MCULE-5527472831,EMOLS-id_331029517	319.239	IAQXUEQBVKOUFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075934
CC1CCc2nn(Cc3ccccc3C)c(CBr)c12	MCULE-4775763946,EMOLS-id_331012799	319.239	KISHKQJDQHJYCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075935
CC1CCc2nn(Cc3ccc(C)cc3C)c(Br)c12	EMOLS-id_331015078,MCULE-8098990067	319.239	VVARTWNZEPJUDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075936
CC1CCc2nn(Cc3c(C)cccc3C)c(Br)c12	EMOLS-id_331017645,MCULE-2422357201	319.239	FQFRVKURWTVWMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075937
CC1CCc2nn(Cc3cccc(C)c3C)c(Br)c12	EMOLS-id_331017901,MCULE-8160840314	319.239	YHHULCGZWAHZOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075938
CC1CCc2nn(Cc3ccc(C)cc3)c(CBr)c12	MCULE-3739214577,EMOLS-id_331012535	319.239	BOXJFSSRPRDBEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075939
CC1CCc2nn(Cc3cc(C)ccc3C)c(Br)c12	MCULE-3851419650,EMOLS-id_331017389	319.239	NTBZRFZRHBDKNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075940
CC1CCc2nn(Cc3cccc(C)c3)c(CBr)c12	MCULE-4340647793,EMOLS-id_331016624	319.239	BFWJBBUXDSOTGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075941
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(Br)c12	EMOLS-id_331017637,MCULE-8098483826	319.239	HMRFAWBRUSNOED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075942
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(Br)c12	MCULE-7036443393,EMOLS-id_331017134	319.239	WUUPGANCTPYMMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075943
CCc1ccccc1Cn1nc2CCC(C)c2c1Br	EMOLS-id_331018157,MCULE-8459057937	319.239	WBAIMCLYCUIJSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075944
CC(c1ccccc1C)n1nc2CCC(C)c2c1Br	EMOLS-id_331019683,MCULE-4720054483	319.239	NQVDPBMZSVRLBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075945
CCc1ccccc1Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330970609,MCULE-5201374147	319.239	DJCKOQFROFSFOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075946
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1Br	EMOLS-id_331021985,MCULE-2236340423	319.239	UESHFXARVZGGDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075947
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1Br	MCULE-3698221601,EMOLS-id_331015087	319.239	LHLBVIOGZDRYSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075948
CCc1cccc(Cn2nc3CCC(C)c3c2Br)c1	EMOLS-id_331017390,MCULE-1937986152	319.239	VVTTXZSXLCLWNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075949
CCc1cccc(Cn2nc(Br)c3C(C)CCc23)c1	EMOLS-id_330969842,MCULE-2225865974	319.239	WIJFTHBEUXZUIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075950
CCc1ccc(Cn2nc3CCC(C)c3c2Br)cc1	MCULE-5570135234,EMOLS-id_331017893	319.239	VLMKUSNXOXUMMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075951
CC(=CC(=O)C(c1c(n2C(=N)N=Nc2n1)O)C(=O)C(=O)OC)C	PC-id_135441681	319.273	FXWLCVLDUURDHX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-075952
CC(=CC(=O)[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)C(=O)OC)C	PC-id_136791187	319.273	FXWLCVLDUURDHX-ZETCQYMHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-075953
CC(=CC(=O)[C@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)C(=O)OC)C	PC-id_136791188	319.273	FXWLCVLDUURDHX-SSDOTTSWSA-N	00000011100000000001000010000000000000000000000000000000	25-01-075954
COC(=O)C(=O)C(C1=Nc2n(C1=O)c(nn2)N)C(=O)C=C(C)C	SPECS-id_AT-225/NB51192,PC-id_343301	319.273	DFWXBZCNQLNNAR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-075955
COC(=O)C(=O)[C@H](C(=O)C=C(C)C)C1=Nc2nnc(N)n2C1=O	LI_194199,CoCoCo_5636519,ZINC22_104247186	319.273	DFWXBZCNQLNNAR-SSDOTTSWSA-N	00000011100000000001000010000000000000000000000000000000	25-01-075956
COC(=O)C(=O)[C@@H](C(=O)C=C(C)C)C1=Nc2nnc(N)n2C1=O	ZINC22_104247181,CoCoCo_5636518,NSC382713	319.273	DFWXBZCNQLNNAR-ZETCQYMHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-075957
CC(=O)OCc1c(COC(=O)C)c(C(F)(F)F)n2c1CCC2	LI_176534,NSC259675,PC-id_318886,ZINC22_1557870,CoCoCo_5561544	319.276	KYDAIGIECKWELE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075958
C1CN(CCC1(CO)C(F)(F)F)C(=O)c1nn2CCOc2c1	PC-id_136566053,EMOLS-id_316985009	319.28	JSZMBSPYPOPTOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075959
O=C(c1cc2n(n1)CCO2)N1CCCC(CC1)(O)C(F)(F)F	EMOLS-id_99615219	319.28	YVTIYUODHPNNLD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-075960
O=C([C@H]1OCCO[C@H]1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319345956	319.28	XHMDADNLPWJMRL-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075961
O=C([C@H]1OCCO[C@H]1C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319717130	319.28	VNOPFSRIRMIMQY-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075962
O=C([C@@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCn2ccnc12	ZINC22_857903511	319.28	HPZZXMYUSLDMIM-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075963
O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1CCn2ccnc12	ZINC22_857903512	319.28	HPZZXMYUSLDMIM-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075964
O=C([C@@H](C[C@H]1COCCO1)C(F)(F)F)N1CCn2ccnc12	ZINC22_857903513	319.28	HPZZXMYUSLDMIM-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075965
O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCn2ccnc12	ZINC22_857903514	319.28	HPZZXMYUSLDMIM-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-075966
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NO[C@@H]1CCOC1	ZINC22_1875274304	319.28	HIRYXHAZZTXWBE-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075967
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NO[C@H]1CCOC1	ZINC22_1875274305	319.28	HIRYXHAZZTXWBE-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075968
n1(ncc([N+]#[C-])c1N/N=C/1c2n(N=C1)nc(n2)C)c1ncncc1	PC-id_58113660	319.284	IDMBOKUKQNZJLJ-JMIUGGIZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-075969
CCOC(=O)c1c(N)sc2c1C(C(=O)O)C(C2(O)O)(O)O	SCHEMBL16002005,PC-id_90381835	319.288	HCWYEHWQNKOJRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075970
s1c2c(CCC2)cc1CNc1c(F)c(F)c(F)c(F)c1F	PC-id_61208209	319.293	AUBXTNUMRIRDFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075971
Fc1ccc(c(c1)F)C1(CCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318496724	319.306	BMDDQYSOAFXAST-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-075972
FC(Oc1c(C)cc(cc1C)C=C1C(C)n2c(C1=O)ncn2)F	EMOLS-id_278712892	319.306	HZXRIDHEGYTLLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075973
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002038,MCULE-5566796572	319.324	VWXJITIBMRNAOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075994
O=C(NC1(c2c(F)cccc2F)COC1)c1n[nH]c2c1CCC2	PC-id_136566523,MCULE-1863708426,ZINC22_886635765,EMOLS-id_316935362	319.306	WTHMTMJYRLXUCE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-075974
c1(C(=O)N2Cc3c(n(nc3)CCO)C2)cc(=O)n(c(=O)n1C)C	MCULE-8189028900,PC-id_72859466,EMOLS-id_48628466,ZINC22_95503730	319.316	DXDODYMVEAHXHB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-075975
Cc1noc(CC(=O)N2Cc3nc(C(=O)NC(C)C)oc3C2)n1	EMOLS-id_313721252,ZINC22_2055704343	319.316	PRPWJMLFDORQNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075976
Cc1nonc1C(=O)NCC(=O)NCC1Cc2nnc(C)n2C1	EMOLS-id_317468288,MCULE-6474018482,PC-id_137335012	319.319	UEGSUORSSZPMCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075977
Cc1nonc1C(=O)NCC(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1772706762	319.319	UEGSUORSSZPMCA-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075978
Cc1nonc1C(=O)NCC(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1772706771	319.319	UEGSUORSSZPMCA-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-075979
c12CN(Cc1nn(CC)c2C(=O)OC(C)(C)C)CC(F)(F)F	MCULE-5731022068,EMOLS-id_324348002	319.323	GZMKRRHUJCEMML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075980
CC(C)n1c2c(c(n1)C(F)(F)F)N(CC2)C(=O)OC(C)(C)C	SCHEMBL15724384,PC-id_90162761	319.323	ZGJAHZOTMXWBDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075981
CC(C)n1c2c(CN(C2)C(=O)OC(C)(C)C)c(n1)C(F)(F)F	SCHEMBL15724377,PC-id_90162754	319.323	VRBBMGWMERVRCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075982
CCOC=CC(C(F)(F)F)(CNCc1cnc2n1CCC2)O	PC-id_136562282,EMOLS-id_316936338,MCULE-8755025277	319.323	ALFSNSHQIMKWOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075983
CCO/C=C/[C@](O)(CNCc1cnc2n1CCC2)C(F)(F)F	ZINC22_928995547	319.323	ALFSNSHQIMKWOZ-IYNGYCSASA-N	00000010100000000001000010000000000000000000000000000000	25-01-075984
CCO/C=C/[C@@](O)(CNCc1cnc2n1CCC2)C(F)(F)F	ZINC22_928995550	319.323	ALFSNSHQIMKWOZ-VUDGCMKMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075985
CC1CCc2c1c(nn2Cc1cc(ccc1C)C(F)(F)F)C#N	EMOLS-id_331020794,MCULE-2253302383	319.324	RBADWMULBYDOSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075986
CC1CCc2c1c(nn2Cc1cccc(c1C)C(F)(F)F)C#N	MCULE-6518678371,EMOLS-id_331021562	319.324	AYKHWGJYMWBETP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075987
CC1CCc2c1c(nn2Cc1cc(C)cc(c1)C(F)(F)F)C#N	EMOLS-id_331021306,MCULE-2271379723	319.324	FLDHJYVQLSCECH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075988
CC1CCc2c1c(nn2Cc1ccc(C)c(c1)C(F)(F)F)C#N	MCULE-7769208916,EMOLS-id_331021050	319.324	LHRLKVNNRHZVFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075989
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(C#N)c12	EMOLS-id_331005620,MCULE-2924178063	319.324	QTAMPKGDIDHJPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075990
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(C#N)c12	MCULE-1885552505,EMOLS-id_331002293	319.324	FHCINSAEHKSMDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075991
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(C#N)c12	MCULE-1197457827,EMOLS-id_331005876	319.324	DCMIAQGUUHVWMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075992
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(C#N)c12	MCULE-9867308147,EMOLS-id_331002037	319.324	XZJQOIHZIFXBQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075993
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331003832,MCULE-1336550271	319.324	BIYFXPBEKNDVEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075995
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005625,MCULE-7224791601	319.324	CNKGEVFYNWDOFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-075996
FC(COCCC(=O)Nc1sc2c(c1C(=O)O)CCC2)F	PC-id_103205822	319.324	FORVYEJOOGWQGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-075997
CCC(C(C(F)(F)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319163832	319.326	KOWPXLFOANWUCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-075998
s1c2CC(Cc2cc1C(=O)Oc1cc(F)c(c(F)c1)C#N)C	PC-id_59264072	319.326	DKEFBAQUVYGTKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-075999
c1(NC(=O)Nc2ccc(cc2F)F)sc2c(CCC2)c1C#N	CoCoCo_6400454,MCULE-3966953884,PC-id_35279592,EMOLS-id_13109238,ZINC22_27922926	319.329	CJZQHXMFDNPVCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076000
N#Cc1cc(F)c(c(c1)F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318720802	319.329	YPMJHOAFNNDFMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076001
COc1c(OC)ccc(c1C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_318797388	319.331	KQRVTTMUYZWPHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076002
COc1c(OC)ccc(c1C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_318807137	319.331	YYKWSGXFGJDMNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076003
Fc1ccc(c(c1)OC(C)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318679011	319.331	HIGKXEDYEKKOFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076004
OC(COc1ccc(cc1)F)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111110984	319.331	SSSLISHGWSKFGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076005
CCOc1ccc(c(c1)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319416034	319.334	IUIPKOWEUGNACN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076006
CCOc1ccc(cc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319507361	319.334	IFLCDBJTCFXIBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076007
CCOc1cc(F)ccc1NC(=O)N1Cc2nn(C)c(N)c2C1	MCULE-6515804464,ZINC22_952848741,EMOLS-id_316976754	319.334	JLZLHOAAQKDTQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076008
COc1cc(C)c(cc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319675816	319.334	PRXWVLRLPVJGGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076009
Fc1ccc(C(O)CNC(=O)NCc2n3CCCc3nn2)cc1	MCULE-2074793404,PC-id_71894746,EMOLS-id_45753059	319.334	SBOVZGHJYFLHKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076010
FCCOc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319290660	319.334	PBNDBBGZTRDXPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076011
FCCOc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319336508	319.334	AFARUPGRYKYBEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076012
O=C(NCc1nnc2n1CCC2)NC[C@H](O)c1ccc(F)cc1	PC-id_97077811,ZINC22_89782928	319.334	SBOVZGHJYFLHKK-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076013
O=C(NCc1nnc2n1CCC2)NC[C@@H](O)c1ccc(F)cc1	ZINC22_89782920,PC-id_97077810	319.334	SBOVZGHJYFLHKK-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076014
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(OC)c1)N(=O)=O	MCULE-2543273092,EMOLS-id_181476763,PC-id_84558862	319.336	UWCOYNPRNOJKHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076015
c1(sc2c(CCC2)n1)NC(=O)c1cc(OC)ccc1N(=O)=O	EMOLS-id_181477180,MCULE-2987703284,PC-id_47849603	319.336	RDTPAWFFBBZJBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076016
COc1cc(/C=c/2sc3ncnn3c2=O)cc(OC)c1OC	ZINC22_16733100,EMOLS-id_300928143	319.336	RXIWKXLJRRVHBV-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076017
COc1cc(/C=c/sc3ncnn3c2=O)cc(OC)c1OC	ZINC22_208373	319.336	RXIWKXLJRRVHBV-IZZDOVSWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076018
COc1cc(C=c2sc3ncnn3c2=O)cc(OC)c1OC	ZINC22_606331219,MCULE-6403271393,EMOLS-id_9063422	319.336	RXIWKXLJRRVHBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076019
COc1cc(/C=c/2sc3nncn3c2=O)cc(OC)c1OC	ZINC22_13547545	319.336	RJRUYWCZKBZPAL-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076020
COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1nc2CCCc2s1	PC-id_5115902,MCULE-7726879950,ZINC22_6470468,EMOLS-id_43971850,CoCoCo_4164069	319.336	HAZLQELNBDIVQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076021
COCc1nc2s/c(=Cc3ccc(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324900864	319.336	GFFMSZPGPGSTOZ-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076022
n12nc(nc1sc(=Cc1ccc(c(OC)c1)O)c2=O)COC	MCULE-4096488520	319.336	GFFMSZPGPGSTOZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076023
O=C1Cc2c(C1)n(nc2C(=O)N)S(=O)(=O)c1ccc(cc1)C	SCHEMBL5526304,PC-id_58713626	319.336	SIGDNOVSSWOCRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076024
O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCC2	CoCoCo_4163998,EMOLS-id_24083886,MCULE-9163485356,ZINC22_15636380,PC-id_26723053	319.336	AMPMTNHEVCCHDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076025
N#Cc1c(NC(=O)CCN2C(=O)CCC2=O)nc2n1CCS2	EMOLS-id_98894241	319.339	DBIDMSBDUGNHCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076026
O=C(c1sc2c(c1)CCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_319587108	319.343	CONPKWSMVIBYQW-ZJUUUORDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076027
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1F)C	MCULE-9909085444,EMOLS-id_331021751	319.349	HWKMATCTPNRXQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076028
Fc1ccc(c(c1)F)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	MCULE-5731450907,EMOLS-id_319876981	319.349	YDNLVQLZEAGONI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076029
Fc1ccc(c(c1)F)CN(C(=O)c1n[nH]c2c1CCC2)C(C)C	EMOLS-id_318749604	319.349	YCFJVJHNIIKIBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076030
OC1CC(N(C1)Cc1cc2n(n1)CCC2)c1ccc(c(c1)F)F	EMOLS-id_318087744	319.349	AJDHNQYCQQBLJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076031
OC1CN(C(C1)c1ccc(c(c1)F)F)Cc1cnc2n1CCC2	EMOLS-id_318372948	319.349	GKZLYIPXVXEHQJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076032
OC1CN(C(C1)c1cc(F)ccc1F)Cc1cnc2n1CCC2	EMOLS-id_318221798	319.349	UXZBLTMEBYIFNH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076033
OC1CN(C(C1)c1cc(F)ccc1F)Cc1nn2c(c1)CCC2	EMOLS-id_318236806	319.349	COZWVUQVJZGPED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076034
O=C(CC(c1ccc(cc1F)F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319458994	319.349	FEPLUCVQDBMNJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076035
O=C(Nc1n(C)nc2c1CCC2)CC(c1ccc(cc1F)F)C	EMOLS-id_318651340	319.349	DDNCJMNASLJHMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076036
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OC	CoCoCo_683860,ZINC22_38745,SPECS-id_AN-153/I121272,SPECS-id_AT-084/J159008,EMOLS-id_1274390,PC-id_675866,SPECS-id_AK-968/11843288,MCULE-6661121869	319.351	BUKYOILTFAFNBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076037
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)OC	ZINC22_121017,EMOLS-id_1341702,BAS-01540737,SPECS-id_AK-968/12102129,TIMTEC548181,PC-id_719974,CoCoCo_203982,MCULE-1218669540	319.351	XJGTYDKKVBSFDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076038
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_257848398,ZINC22_1929767,PC-id_1656049,MCULE-9013911856	319.351	RMJMIPDETNADIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076039
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)O	PC-id_28860230,EMOLS-id_179129471,MCULE-3853858586	319.351	HPQLDUWYGMKJPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076040
CSc1cc2n(c1C(=O)c1ccc(F)cc1)CCC2C(=O)O	PC-id_13687514,CHEMBL19129,SCHEMBL10812473	319.351	RMXSCZXOQPQVTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076041
Fc1ccc(NC(=O)COC(=O)c2cc3CCCc3s2)cc1	BindingDB_PC-id_2099546,MCULE-4897584418,CHEMBL1471220,BindingDB-id_150704,ZINC22_2636818,CoCoCo_2840963,EMOLS-id_3193455,PC-id_2099546	319.351	NGQFJEHJSIBBFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076042
OC(=O)Cc1ccc(cc1F)NC(=O)c1sc2c(c1)CCC2	MCULE-4432387786,EMOLS-id_72899435,PC-id_122101757	319.351	GAXFWESQHAVEBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076043
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(F)ccc1	PC-id_5031844	319.351	HXTYNZRAUPTDJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076044
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(F)cccc1	PC-id_5137875	319.351	HXYZCEWUOOLXDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076045
Fc1ccc(c(c1)F)N1CCC(C1)NC1CC(n2c1ncn2)C	MCULE-6245257203,EMOLS-id_318649034	319.352	FQSZHSLMPBEXKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076046
c1(NC(=O)Nc2cccc(F)c2)sc2c(CCC2)c1C(=O)N	MCULE-3905358807,EMOLS-id_43314850,ZINC22_72243025,PC-id_71689934	319.354	XWXPLKSXVMMEJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076047
CCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CC=C2C(=O)O	PC-id_88672120,SCHEMBL10813244	319.354	QLMIQVNEUDMCFI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-076048
COC(=O)c1cc2c([nH]1)CCC2=Cc1cccc(c1)c1ccco1	SCHEMBL1003660,PC-id_87186594	319.354	ZVRKRAXUTZLYTI-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-076049
COC(=O)c1[nH]c2c(c1)/C(=C/c1cccc(c1)c1ccco1)/CC2	SCHEMBL1003658	319.354	ZVRKRAXUTZLYTI-GXDHUFHOSA-N	00000010101000110000100010000000000000000000000000000000	25-01-076050
NC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2c1CCC2	MCULE-6536611063,EMOLS-id_11920432,CoCoCo_3483772,ZINC22_9154339,PC-id_17405154	319.354	FIJSXGPYRGOLKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076051
O=C1OCc2c1c(oc2)N(Cc1ccccc1)Cc1ccccc1	PC-id_122222559	319.354	YFCNZIHOIJUVME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076052
s1c2c(CCC2)c(c1NS(=O)(=O)CC(=O)OC)C(=O)O	PC-id_61357973	319.354	HZHNKEOOUUMGFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076053
s1c2c(CCC2)c(c1NS(=O)(=O)CC(=O)O)C(=O)OC	PC-id_43362040	319.354	WYJCQJYMSOVJRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076054
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NC	PC-id_16947198	319.354	JHAMFARZUCAZKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076055
[O-]S(=O)NC(=O)C1CCn2c1ccc2C(=O)[C@@H]1CC=CC=C1	PC-id_118618280	319.356	ABJQYCHOXNQARJ-VUWPPUDQSA-M	00000010100011000000000010000000000000000000000000000000	25-01-076056
C1Cc2c(C1)[nH]nc2N(c1ccccc1)C(=O)Oc1ccccc1	SCHEMBL13858390,PC-id_89188650	319.357	SYRJLODHYQTZDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076057
c1(C(=O)Nc2ccccc2Oc2ccccc2)c2CCCc2[nH]n1	MCULE-8565811249,EMOLS-id_179744925,PC-id_110388952	319.357	PPXZEMWZNFGSJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076058
c1(C(=O)Nc2ccc(cc2)Oc2ccccc2)c2CCCc2[nH]n1	PC-id_110388939,MCULE-3451678326,EMOLS-id_179744885	319.357	XOSOHUWNKMXDTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076059
c1(C(=O)Nc2ccccc2Oc2ccccc2)cn2c(CCC2)n1	EMOLS-id_321297117,MCULE-4120193208	319.357	UNCZXLPSEPKRBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076060
c1(C(=O)Nc2ccc(cc2)Oc2ccccc2)cn2c(CCC2)n1	EMOLS-id_321297372,MCULE-1038981481	319.357	SPWCZUFHTNDXKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076061
Cc1nccc(c2cccc(NC(=O)c3occ4c3CCC4)c2)n1	MCULE-6838458070,PC-id_136541812,ZINC22_505420543,EMOLS-id_316813169	319.357	JLUGYHQBOLAFBB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076062
CCN1CCN(C(=O)NCc2c3CCCc3nn2C)C(=O)C1=O	MCULE-1586600218,ZINC22_225818531,EMOLS-id_53884681,PC-id_91819406	319.359	RRFAFDPYFPBVIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076063
CN(C)C(=O)COCc1nc2CN(Cc3cnn(C)c3)Cc2o1	ZINC22_96086728,PC-id_97406044,EMOLS-id_46183471	319.359	PBGFKOBNFLEGPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076064
N#Cc1c(NC(=O)c2csc([N+](=O)[O-])c2)sc2c1CCC2	EMOLS-id_49291160,ZINC22_96998539,PC-id_75493433,MCULE-3926704084	319.359	VZVRPLYVLZBBPN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076065
O=C(c1ccccn1)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68442536,SCHEMBL2923745	319.36	KBQPFOLEQRZYOK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076066
O=C(c1cccnc1)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68440530,SCHEMBL2918139	319.36	UAYBEUMKHJLMAO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076067
O=C(c1ccncc1)Nc1n[nH]c2c1CN(C2)Cc1ccccc1	SCHEMBL2919919,PC-id_68441119	319.36	PTTZFLZVVUAAGM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076068
O=C(c1n[nH]c2c1C(=C)CC2)Nc1cnn(c1)Cc1ccccc1	SCHEMBL16789857,PC-id_118136254	319.36	IRFZKXQMCUOQTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076069
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccncc1	MCULE-5242047480,ZINC22_190069130,PC-id_99829817,EMOLS-id_53797733	319.36	FMSBMWTVMGLATN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076070
FC(c1ncc(s1)CNCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318756999,MCULE-6025326985	319.369	YJDBSNUTFWSJCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076071
NNC(c1sc2c(c1)CCC2)c1cnc(s1)C(F)(F)F	PC-id_106787186	319.369	NAZLHBJHNGTAOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076072
O=C(c1sc2c(c1)CCC2)NC1CC1c1c(F)cccc1F	PC-id_86961374	319.369	OXSZNEGTUJCHON-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-076073
CC1CC(c2n1ccn2)NS(=O)(=O)C1CCC(CC1)(F)F	EMOLS-id_319534675	319.371	BYZCHOYSGDBWFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076074
CC1CC(c2n1ccn2)NS(=O)(=O)CC1CCCC1(F)F	MCULE-3267572644,EMOLS-id_101317270	319.371	MUXFPBNBIXQKQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076075
FC1(F)CCC(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97747817	319.371	HHMYZASLCOPYMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076076
FC1(F)CCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97759915	319.371	SMWNBMUUTFGCCA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076077
FC1(F)CCC(CC1)S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_318914401	319.371	NSTVFGNKVVUWIX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076078
c1(CN(C)Cc2cc(OC)c(cc2F)OC)c2CCCc2[nH]n1	PC-id_77083072,ZINC22_215317663,EMOLS-id_49874308,MCULE-5032661739	319.374	XJLZRSYHFZSGKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076079
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)OC(C)C	EMOLS-id_2042506,TIMTEC565613,PC-id_1246341,ChEMBL-DNDi_CHEMBL7946822,CoCoCo_542108,MCULE-5925933058,ZINC22_1054960	319.375	YCTDAOAAUGQNSU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076080
c1(NC(=O)c2ccc(C)o2)sc2c(CCC2)c1C(=O)OCC	ZINC22_1465439,MCULE-2105170854,EMOLS-id_3063153,PC-id_1536753,TIMTEC581986,CoCoCo_3268282	319.375	YUXWZKPEWMLFSA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076081
c1(NC(=O)c2ccoc2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2201896,CHEMBL1580103,MCULE-9685075031,SPECS-id_AK-968/13027137,CoCoCo_906821,ZINC22_476956,PC-id_898956,TIMTEC262638	319.375	KIQJJXPEIJJMPE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076082
CCc1cccc(S(=O)(=O)NC(=O)c2occ3c2CCC3)c1	ZINC22_2325828769	319.375	QQGBRSKMWKOJKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076083
COC(=O)c1cc(CNC(=O)c2cc3c(s2)CCC3)oc1C	MCULE-7025888869,EMOLS-id_36997998,ZINC22_71804275,PC-id_56808308	319.375	KRZXMHKDEAPYIU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076084
O=C(c1sc2c(c1)CCC2)N(Cc1cc(c(o1)C)C(=O)O)C	PC-id_119221867,MCULE-2799826667,EMOLS-id_52177005	319.375	ZWEWSCHOHLQOAP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076085
s1c2CCCc2cc1C(=O)OC(C(=O)NCc1occc1)C	PC-id_45637937	319.375	DHJWEOMQKIVPRF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076086
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1occc1)C	PC-id_45637969	319.375	QDZPRQFRKWQKRO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076087
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCc1occc1)C	PC-id_7291896	319.375	DHJWEOMQKIVPRF-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-076088
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCc1occc1)C	PC-id_7291899	319.375	DHJWEOMQKIVPRF-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076089
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCCC	PC-id_30748640	319.375	ZRIDDRXMRDPEKV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076090
s1c2CCCc2nc1COc1c(OCC)cc(cc1)C(=O)O	PC-id_24252875	319.375	FKVPZSNBTUUPMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076091
O=C1c2cccn2C[C@H]1[C@@H](O)c1cc[n+](Cc2ccccc2)cc1	PC-id_40847202,CoCoCo_4397254,ZINC22_8861936	319.377	PYXCABGPCXIUPQ-HKUYNNGSSA-N	00000010100000111000000010000000000000000000000000000000	25-01-076092
O=C1c2cccn2C[C@@H]1[C@@H](O)c1cc[n+](Cc2ccccc2)cc1	PC-id_40847204,ZINC22_8861939,CoCoCo_4397255	319.377	PYXCABGPCXIUPQ-MJGOQNOKSA-N	00000010100000111000000010000000000000000000000000000000	25-01-076093
O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](Cc2ccccc2)cc1	ZINC22_8861938,PC-id_40847203,CoCoCo_4397253	319.377	PYXCABGPCXIUPQ-PKOBYXMFSA-N	00000010100000111000000010000000000000000000000000000000	25-01-076094
O=C1c2cccn2C[C@@H]1[C@H](O)c1cc[n+](Cc2ccccc2)cc1	ZINC22_8861941,CoCoCo_4397256,GD-id_ZINC08861941,PC-id_40847205	319.377	PYXCABGPCXIUPQ-IEBWSBKVSA-N	00000010100000111000000010000000000000000000000000000000	25-01-076095
OC(c1cc[n+](Cc2ccccc2)cc1)C1C(=O)c2n(ccc2)C1	PC-id_16317977,MCULE-8138865683	319.377	PYXCABGPCXIUPQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-076096
c12CN(Cc1cnn2CCO)C(=O)Cc1csc(C(=O)C)c1	ZINC22_67785343,MCULE-4061217299,EMOLS-id_36583772,PC-id_56746343	319.379	SSFFMZZUJWJSMS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076097
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cc(C)[nH]n1	EMOLS-id_327992567,MCULE-7453972396	319.379	CSWWFDYTIWGGFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076098
c1(NC(=O)c2ccc(cc2OC)OC)n(C)nc2CSCc12	EMOLS-id_316266332,MCULE-8981957127,ZINC22_1506425664	319.379	FTFGBSVQDLMILB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076099
c1(NC(=O)c2c(cccc2OC)OC)n(C)nc2CSCc12	EMOLS-id_334563764,MCULE-8969974354	319.379	HGMWTRICCPWGCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076100
c1(NC(=O)c2ccc(c(OC)c2)OC)n(C)nc2CSCc12	PC-id_60180844,STOCK7S-24775,MCULE-5922532203,EMOLS-id_36793063,ZINC22_72401082	319.379	CLDFUBBZMCXFEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076101
c1(NC(=O)c2c(CC)noc2C)sc2c(CCC2)c1C(=O)N	EMOLS-id_11488080,GD-id_ZINC13327331,PC-id_17174309,CoCoCo_1075799,ZINC22_13327331,TIMTEC404134,MCULE-3829681586	319.379	QKMWLBUHUIOAPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076102
c1(NC(=O)c2ccn(CC)n2)sc2c(CCC2)c1C(=O)OC	MCULE-7710399871,EMOLS-id_4003437,CoCoCo_5806261,ChEMBL-DNDi_CHEMBL1469046,CHEMBL1469046,TIMTEC584737,ZINC22_372048,PC-id_841818	319.379	YYAFEVBQBCKGEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076103
c1(NC(=O)c2ccn(C)n2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_5819246,MCULE-7579590409,ZINC22_2744772,EMOLS-id_4003441,TIMTEC603772,PC-id_19617488	319.379	ZTIFPRWHJTVUOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076104
c1(NC(=O)c2ccnn2C)sc2c(CCC2)c1C(=O)OCC	TIMTEC332972,MCULE-4028824744,ZINC22_1002786,EMOLS-id_4003447,SPECS-id_AK-968/41017837,CoCoCo_5259525,PC-id_1225963	319.379	NIZOMVXJTTVWQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076105
c1(NC(=O)c2cc(OC)cc(OC)c2)n(C)nc2CSCc12	MCULE-5316551983,EMOLS-id_334564788	319.379	YHXIHKSBMSSPMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076106
c
(=N/C(=O)CCn2c(C)cc(cc2=O)O)/sc2c(CCC2)[nH]1	STOCK7S-48269,PC-id_91638927,EMOLS-id_50227720,EMOLS-id_54883716,MCULE-9374891315	319.379	QESGIIVFRAXARX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076107
c1(NC(=O)C(C)Oc2ccc(cc2)O)n(C)nc2CSCc12	MCULE-2887716430,EMOLS-id_334562741	319.379	NEPAMHDYBJLSRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076108
c1(NC(=O)Cn2c(C)cc(=O)c(OC)c2)sc2c(CCC2)n1	PC-id_110205164,MCULE-9451028810,EMOLS-id_55727006,SPECS-id_AO-022/43512427,ZINC22_253409657,STOCK7S-54647	319.379	MEHFDCQMKIUEBB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076109
c1(NC(=O)COc2ccccc2OC)n(C)nc2CSCc12	EMOLS-id_334568369,MCULE-4581494824	319.379	YVXOBZYEEVJWJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076110
c1(NC(=O)COc2c(=O)cc(n(C)c2)C)sc2c(CCC2)n1	EMOLS-id_43039991,ZINC22_72405014,PC-id_60176554,STOCK7S-28997,MCULE-5574307052,EMOLS-id_46565187	319.379	GZTQUBNWOCDCIK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076111
Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)CCC3)c(C)o1	EMOLS-id_48218752,ZINC22_55827743,MCULE-6164899313,PC-id_75416192	319.379	XWLQQSAEZDZLHC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-076112
Cc1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CCC3)o1	ZINC22_275424888	319.379	RJFFYXHFMKMNAX-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076113
Cc1nnc([C@@H]2COCCN2C(=O)c2cc3c(s2)CCC3)o1	ZINC22_275424893	319.379	RJFFYXHFMKMNAX-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-076114
Cc1nnc(o1)C1COCCN1C(=O)c1sc2c(c1)CCC2	MCULE-2285321862,EMOLS-id_111769039	319.379	RJFFYXHFMKMNAX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076115
Cc1noc(C)c1CC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3616065,MCULE-6332627204,GD-id_ZINC08185349,CoCoCo_3904992,PC-id_9319129,ZINC22_8185349	319.379	XTTYSTNUQWPCPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076116
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3c(s2)CCC3)n1	MCULE-8978351976,ZINC22_275354902,EMOLS-id_110632129	319.379	MCLUUBBHBANOBW-GHMZBOCLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-076117
CCn1cc(CNC(=O)c2sc3c(c2)CCC3)c(=O)[nH]c1=O	EMOLS-id_319132035	319.379	BNWFTFVNPICIPM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076118
CC(=O)NCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	CHEMBL1821917,PC-id_56678884	319.379	MNXUVMRZUSDIGK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-076119
Cn1c(NC(=O)c2ccc(S(=O)(=O)C)cc2)c2c(CCC2)n1	MCULE-8292797451,EMOLS-id_24910418,CoCoCo_5273024,PC-id_30859133,ZINC22_23135697	319.379	ITJZMJUBKCATFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076120
CSc1ccc(n1C)C(=O)c1[nH]c2c(c1C)NC(C2)C(=O)O	PC-id_70455509,SCHEMBL10847173	319.379	WPNCFULBEXZXNK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-076121
O=C(c1ccc(cc1)S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_320338950,MCULE-7331036658	319.379	ZKNHYNSBICFEIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076122
O=C(c1ccc(cc1)S(=O)(=O)C)NCc1n[nH]c2c1CCC2	MCULE-5920167090,EMOLS-id_319838124	319.379	WSKJAEFYADEEJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076123
O=C(c1sc2c(c1)CCC2)Nc1cnn(c1)C(C(=O)O)(C)C	EMOLS-id_57911668,PC-id_120697079,MCULE-6787221279	319.379	NLPJZIZHNYWTTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076124
O=C(c1sc2c(c1)CCC2)NC(C(=O)O)Cc1nccn1C	EMOLS-id_320024540,MCULE-1690895944	319.379	UBTIYAIPPCFBBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076125
O=C(Cc1c(C)noc1C)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_30669847,PC-id_27684611,MCULE-7745315007	319.379	FMPIPAJLXUUZNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076126
O=C(CN(C(=O)c1sc2c(c1)CCC2)C)Nc1noc(c1)C	MCULE-2830977123,EMOLS-id_44492395	319.379	LGVLUZBKNNOATM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076127
O=C(N1CCn2c1ncc2)C(c1ccccc1)CS(=O)(=O)C	EMOLS-id_319659583	319.379	ZFSRLWVGLNPQNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076128
O=C(NC1(c2ncon2)CCOCC1)c1cc2c(s1)CCC2	EMOLS-id_49312611,MCULE-2463428781,PC-id_75504269,ZINC22_97108980	319.379	QCNRXMGCXPOLCP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076129
s1c2c(CCC2)c(c1NC(=O)c1nn(c(c1)C)C)C(=O)OC	PC-id_16952181	319.379	UPQYVMGEHFJVSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076130
s1c2c(CCC2)c(c1NC(=O)c1n(ncc1)CC)C(=O)OC	PC-id_49695190	319.379	MJPNZZBBRCTVMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076131
s1c2CCCc2nc1NC(=O)c1[nH]c(c(c1C)C(=O)OC)C	PC-id_33039283	319.379	XUGISOFFRFSMNP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-076132
s1c2CCCc2nc1NC(=O)CCCNC(=O)c1occc1	PC-id_33039944	319.379	JZDQWZNPLOSRMW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-076133
S1Cc2c(noc2NC(=O)NCCc2ccc(OC)cc2)C1	PC-id_49719388	319.379	ADVJFACTGVIZQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076134
S(=O)(=O)(c1ccc(CC2(n3c(N(C2=O)C)ncc3)C)cc1)C	PC-id_74221987	319.379	ASMFVBQTKXQIHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076135
S(=O)(=O)(c1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1)C	PC-id_45536338	319.379	MSEWJXKDDOUGBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076136
S(=O)(=O)(c1c(C(=O)Nc2n(nc3c2CCC3)C)cccc1)C	PC-id_45536334	319.379	PWYWNGVXGWZMTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076137
c1(NC(=O)C(=Cc2ccccc2)C#N)sc2c(CCC2)c1C#N	MCULE-9254228511	319.38	RTIUPDXOYSCMNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076138
n12nc(nc1sc(=Cc1ccc(cc1)c1ccccc1)c2=O)C	MCULE-8643956822	319.38	OABROGOAANDRGV-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-076139
n12nc(nc1sc(=Cc1ccccc1)c2=O)Cc1ccccc1	MCULE-5214535463	319.38	LOHWLMWWAJIIAP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076140
O=c1n2nc(Cc3ccccc3)nc2s/c/1=Cc1ccccc1	EMOLS-id_324835059	319.38	LOHWLMWWAJIIAP-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076141
O=C(Nc1sc2CCCc2c1C#N)/C(=C/c1ccccc1)/C#N	EMOLS-id_322611311	319.38	RTIUPDXOYSCMNU-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076142
C1CCC(CC1)P(c1cc[c-]2c1PCC2)C1CCCCC1	PC-id_138978161	319.381	GUYMWGBHSUKPCZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076143
Cc1nc(nc(c1)C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100283941	319.382	RINWGGHPSYADLY-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-076144
CCC(=O)N1CCC(C1)C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_101200035	319.382	KUNXGBMVXMRSIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076145
CCNC(=O)c1sc(c(c1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_278162411	319.382	HWFWNVIOZKPSDM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076146
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)Cc1cscc1	PC-id_68440726,SCHEMBL2918815	319.382	NSJDHFCOWKTLEH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076147
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1cccs1	PC-id_68442461,SCHEMBL2923563	319.382	QLZQZIVYWMJZAH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076148
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1cccs1	PC-id_134797257	319.382	ODXHZRDNXPIXFI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076149
CN(C)c1nc(N)nc(COC(=O)c2cc3c(s2)CCC3)n1	MCULE-6501766651,ZINC22_11322328,PC-id_17457576,EMOLS-id_13497120,CoCoCo_4379022	319.382	ADYGYFRYEZKUFG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076150
CNC(=O)c1ccsc1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319504479	319.382	KUULBFAYLHCEPG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076151
N#Cc1c(NC(=O)C2CCCN(C2)C(=O)C)nc2n1CCS2	EMOLS-id_111033994	319.382	WISRPPJENMLLOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076152
NC(=O)c1noc([C@H]2CCCN2Cc2nc3c(s2)CCC3)n1	ZINC22_328655134	319.382	YBARJEJSMWKFAQ-SECBINFHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-076153
NC(=O)c1noc([C@@H]2CCCN2Cc2nc3c(s2)CCC3)n1	ZINC22_328655139	319.382	YBARJEJSMWKFAQ-VIFPVBQESA-N	00000010100000000001100010000000000000000000000000000000	25-01-076154
NC(=O)c1noc(n1)C1CCCN1Cc1sc2c(n1)CCC2	MCULE-1112166488,EMOLS-id_316045814	319.382	YBARJEJSMWKFAQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-076155
O=S1(=O)N(CCN1c1ccccc1)Cc1nnc2n1CCC2	EMOLS-id_319547192	319.382	ZJGWCGAPZUHKFV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076156
O=S(=O)(Nc1cnc(C2CCC2)nc1)c1cnc2n1CCC2	ZINC22_2325783367	319.382	SUEOWYLYUKMNBO-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-076157
CN(Cc1nnc2n1CCC2)C(=O)Nc1nnc(C2CC2)s1	PC-id_53501815,MCULE-2601385977,ZINC22_65406164,EMOLS-id_35707592	319.385	KEKPNTCDOVSMCB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-076158
Nc1nsc(n1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111269520	319.385	AXNFCHUJRFESHG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076159
FC(CN1CCC(CC1)NCc1sc2c(n1)CCC2)(F)F	MCULE-2245953210,EMOLS-id_318202422	319.389	ACVGWQBBXXGONP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076160
NCC1CN(CCC1C(F)(F)F)Cc1sc2c(n1)CCC2	EMOLS-id_318076765,MCULE-6223700567	319.389	DZHFNSCFEMUBFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076161
CC/C=C(/[C@@H]1C[C@@H](c2n1nc(n2)[C@@H](C12CC(C1)C2)F)F)C=C/C	PC-id_138553912,SCHEMBL20910024	319.392	OHYMZEIMFIBZRJ-KQMADUJASA-N	00001010100000000001001010000000000000000000000000000000	25-01-076162
CC/C=C(/[C@@H]1C[C@@H](c2n1nc(n2)[C@H](C12CC(C1)C2)F)F)C=C/C	SCHEMBL20910025,PC-id_138553913	319.392	OHYMZEIMFIBZRJ-GUADWVAISA-N	00001010100000000001001010000000000000000000000000000000	25-01-076163
CCOC(=O)c1c(NCc2ccc(cc2)F)sc2c1CCC2	PC-id_110826288	319.394	MGJJYFANZJGZGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076164
CCOC(=O)c1c(NCc2ccccc2F)sc2c1CCC2	PC-id_110826366	319.394	XYBIKZAOEHUKFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076165
Fc1ccc(cc1)C(C(NC(=O)c1sc2c(c1)CCC2)C)O	PC-id_112363065	319.394	KXZLBOZLRGIQGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076166
Fc1ccc(cc1)C(CNC(=O)c1sc2c(c1)CCC2)(O)C	PC-id_109876412	319.394	NENFAXZJAXJMLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076167
s1c2CCCc2cc1C(=O)N(Cc1cc(F)c(OC)cc1)C	PC-id_31368179	319.394	FNHQXHZZFOCKKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076168
s1c2CCCc2cc1C(=O)NC(c1cc(F)c(OC)cc1)C	PC-id_51214304	319.394	QOLJNNDYIWVWNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076169
s1c2CCCc2cc1C(=O)N[C@H](c1cc(F)c(OC)cc1)C	PC-id_8204771	319.394	QOLJNNDYIWVWNH-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-076170
s1c2CCCc2cc1C(=O)N[C@@H](c1cc(F)c(OC)cc1)C	PC-id_8204784	319.394	QOLJNNDYIWVWNH-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076171
OCC1(CCOCC1)C(C1CC1)NC(=O)c1occ2c1CCC2	EMOLS-id_278952649	319.395	CJCWFIIGOMOKRH-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-076172
c1(NC(=O)c2ccc(cc2)F)c2CSCc2nn1C(C)(C)C	ZINC22_189433,MCULE-9060616697,PC-id_4419670,ChEMBL-DNDi_CHEMBLF0396-0128,CoCoCo_4972644,EMOLS-id_5426205	319.397	IUJMJKCIKOMWFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076173
c1(NC(=O)c2cccc(F)c2)c2CSCc2nn1C(C)(C)C	ZINC22_189432,ChEMBL-DNDi_CHEMBLF0396-0127,PC-id_4383455,MCULE-5050635309,EMOLS-id_5426203,CoCoCo_4972643	319.397	VCGDOZJNAMCCQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076174
N#Cc1c(NC(=O)C(N2CCC=C(C2)F)C)sc2c1CCC2	EMOLS-id_99021395	319.397	LNNIAAWWHMHSGP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-076175
O(C1C(OCc2ccccc2)c2n(C1)ccc2)Cc1ccccc1	PC-id_73018583	319.397	KKGODDUELPFASN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076176
O=C(c1ccccc1F)Nc1c2CSCc2nn1C(C)(C)C	CoCoCo_1736934,PC-id_4523176	319.397	ZWDAOIYDCLPTBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076177
O([C@@H]1[C@@H](OCc2ccccc2)c2n(C1)ccc2)Cc1ccccc1	PC-id_11580558	319.397	KKGODDUELPFASN-SFTDATJTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076178
s1c2c(CCC2)c(c1NS(=O)(=O)CCCOC)C(=O)O	PC-id_63290125	319.397	MDCGZNGDTMHLGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076179
s1c2c(CCC2)c(c1NS(=O)(=O)CCOCC)C(=O)O	PC-id_63246190	319.397	FYEQIGCLQKBPEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076180
S(CCC(=O)Nc1n(nc2c1CCC2)C)c1ccc(F)cc1	PC-id_45536326	319.397	QDKFBFKOXCVZGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076181
c1(C(=O)N[C@@H]2CCOC[C@H]2OC/C=C(C)/C)c2CCCc2[nH]n1	ZINC22_223408632,MCULE-8947617204,EMOLS-id_55697109	319.399	WUAWJJDHKDMYRG-HUUCEWRRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076182
c1(C(=O)N[C@@H]2COCC[C@@H]2OC/C=C(C)/C)c2CCCc2[nH]n1	EMOLS-id_55685195,MCULE-7476916190,ZINC22_223003029	319.399	XBFUBHUKFLOPIO-CABCVRRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-076183
CC(=CCOC1CCOCC1NC(=O)c1n[nH]c2c1CCC2)C	PC-id_91788781	319.399	XBFUBHUKFLOPIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076184
CC(=CCOC1COCCC1NC(=O)c1n[nH]c2c1CCC2)C	PC-id_91792816	319.399	WUAWJJDHKDMYRG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076185
CC(=CCO[C@H]1COCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2)C	ZINC22_1565528839	319.399	WUAWJJDHKDMYRG-GJZGRUSLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076186
CC(C)NC(=O)c1nc2CN(Cc2o1)C(=O)[C@H]1CC[C@H](C)CC1	ZINC22_2055732388,EMOLS-id_313746897	319.399	GJVXXSSIMYMYCB-HAQNSBGRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076187
CCC(=O)N1Cc2c(C1)nc(o2)OC1CCN(CC1)C1CCC1	SCHEMBL165543,PC-id_56848524	319.399	AKZMLFLGBIKCRQ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-076188
CCOC(=O)/C(=C/c1cccs1)/N1Cc2c(C1=O)ccs2	PC-id_101745089	319.399	LDDAJXJLFBGXTG-WQLSENKSSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076189
CCOC(=O)/C(=C/c1cccs1)/N1Cc2c(C1=O)scc2	PC-id_101745087	319.399	PZKIUWRHSUCWGV-WQLSENKSSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076190
CCOC(=O)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109742	319.399	XARRVTRTHJJLTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076191
COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)CCC1CCCCCC1	ZINC22_1775987277	319.399	LCLDUONHMQNXBG-INIZCTEOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076192
COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)CCC1CCCCCC1	ZINC22_1775987278	319.399	LCLDUONHMQNXBG-MRXNPFEDSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076193
N#Cc1c(NC(=O)CC(C(=O)[O-])(CC)CC)sc2c1CCC2	GD-id_ZINC10168129	319.399	OEJMQKUYXDCZAB-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-076194
O(C1CCN(C2CCC2)CC1)c1oc2N(CCc2n1)C(=O)CC	PC-id_56848589	319.399	OSFRUZQKDZCKNV-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-076195
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)OC1CCCCC1	EMOLS-id_99554225	319.399	XFTUSHARDGYHPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076196
CC1(CCS(=O)(=O)C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199088	319.4	VWDTYNGLDJZRRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076197
CC1CS(=O)(=O)CCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99827410	319.4	LIESINPPOLKPOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076198
CCNS(=O)(=O)CCNc1nc2c(s1)CCC2C(=O)O	PC-id_106343031	319.4	SDJHUEZSCMTPRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076199
CCOC(=O)C1CCc2c1nc(s2)NCCS(=O)(=O)N	PC-id_104287951	319.4	YZCKMRJJNOJZBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076200
CS(=O)(=O)C1(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100364127	319.4	XGHAORUBWLPPLZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-076201
Clc1sc2CCC(Nc3ccc(CCCCC)cc3)c2c1	PC-id_81235471	319.892	DSSAVKPVASCILI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076666
OC(=O)C1CCc2c1nc(s2)NCCCNS(=O)(=O)C	PC-id_106331962	319.4	OBYNGSZUOYLCPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076202
OC(=O)C1CCc2c1nc(s2)NCCS(=O)(=O)N(C)C	PC-id_106343051	319.4	UNSACDCGCPIFDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076203
O=S1(=O)CCCC(C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100232305	319.4	VUUGJQAHTRNCLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076204
O=S(=O)(c1cnc2n1CCC2)NCC1CCCS1(=O)=O	EMOLS-id_100206952	319.4	PMWKKONSPRQUNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076205
S(=O)(=O)(N(CCC(=O)OC)C)Nc1sc2CCCc2n1	PC-id_65686144	319.4	XBXMXSMJSCMGNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076206
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H](C[C@H]1C(=O)N(CC)CC)N	PC-id_56722961,EMOLS-id_36466551,ZINC22_67982661,MCULE-6929705607	319.402	AACSYQSZXWUGKD-MFKMUULPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076207
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H](C[C@H]1C(=O)N(CC)CC)N	ZINC22_67868609,EMOLS-id_36456551,PC-id_56718073,MCULE-3883229183	319.402	AACSYQSZXWUGKD-GWCFXTLKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076208
c1(CN2CCCC(C2)C(=O)N2CCOCC2)nnc2CCCn12	EMOLS-id_337700343,MCULE-7494245574	319.402	HQJXLQXTIDVAGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076209
c1(CN2CCOC(C(=O)N3CCCCC3)C2)nnc2CCCn12	PC-id_146078076,EMOLS-id_323966142,MCULE-1877486070	319.402	KVMOUHDNINNWBO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076210
c1(C(=O)NCCNC(=O)NC2CCCCC2)c2CCCc2[nH]n1	EMOLS-id_323259835,MCULE-1313227966	319.402	OKYRUECVOSTTIR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076211
c1(C(=O)N[C@H]2COC[C@@H]2N2CCN(CC2)C)c2CCCc2n[nH]1	MCULE-4925895294,EMOLS-id_82715065,PC-id_119064217,ZINC22_426478083	319.402	VDHAMBWZONESDN-KBPBESRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076212
c1(NC(=O)c2cnc(COC)s2)sc2c(CCC2)c1C#N	MCULE-1264831498,EMOLS-id_322616162	319.402	DIVWGVBLRKRCHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076213
c1(NC(=O)c2csc(COC)n2)sc2c(CCC2)c1C#N	EMOLS-id_322837689,MCULE-5826594159	319.402	OHBLWHADLBCDAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076214
c1(NC(=O)CN2C=CSCC2=O)sc2c(CCC2)c1C#N	PC-id_84405842,MCULE-3072519019,EMOLS-id_181308561	319.402	ZCLZWLMIJYTNEL-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-076215
CC1CC(c2ncnn12)NC1C2CC1N(C2)C(=O)OC(C)(C)C	MCULE-7434392210,PC-id_136571841,EMOLS-id_317040136	319.402	NHVIVTUKPSJUPG-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-076216
CC(C)CN1C[C@@H](C(=O)N[C@@H](C)c2nnc3n2CCC3)CC1=O	PC-id_94173674,ZINC22_48253505	319.402	YSDGKYDPVSZEDC-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076217
CC(C)CN1C[C@@H](C(=O)N[C@H](C)c2nnc3n2CCC3)CC1=O	PC-id_94173676,ZINC22_48253509	319.402	YSDGKYDPVSZEDC-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076218
CC(C)CN1C[C@H](C(=O)N[C@@H](C)c2nnc3n2CCC3)CC1=O	ZINC22_48253503,PC-id_94173673	319.402	YSDGKYDPVSZEDC-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076219
CC(C)CN1C[C@H](C(=O)N[C@H](C)c2nnc3n2CCC3)CC1=O	ZINC22_48253507,PC-id_94173675	319.402	YSDGKYDPVSZEDC-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076220
CCCC(=O)NCC1CCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_320240107,MCULE-3876733709	319.402	RONBCRNNYCBBMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076221
CC(CN1CC(CC1=O)C(=O)NC(c1nnc2n1CCC2)C)C	EMOLS-id_31936170,PC-id_51079808,MCULE-6975334272	319.402	YSDGKYDPVSZEDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076222
CC(C(N1CCCC1=O)C(=O)NCCc1nnc2n1CCC2)C	EMOLS-id_98521542,MCULE-2027717506	319.402	CFDIRQWGCDNSII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076223
CCCN1CCCN(CC1=O)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422980	319.402	HDFBMXXGQGWLGR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076224
CC(CN1CCN(CC1=O)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101420439	319.402	XTBQGKNGDZRMGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076225
C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c2ncnn12	ZINC22_1616034778	319.402	NHVIVTUKPSJUPG-KSSYENDESA-N	00001010100000000001001010000000000000000000000000000000	25-01-076226
C[C@@H]1C[C@@H](N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c2ncnn12	ZINC22_1616034779	319.402	NHVIVTUKPSJUPG-MLGHIDQZSA-N	00001010100000000001001010000000000000000000000000000000	25-01-076227
C[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c2ncnn12	ZINC22_1616034780	319.402	NHVIVTUKPSJUPG-NZEXEKPDSA-N	00001010100000000001001010000000000000000000000000000000	25-01-076228
C[C@@H]1C[C@H](N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c2ncnn12	ZINC22_1616034781	319.402	NHVIVTUKPSJUPG-SJHCENCUSA-N	00001010100000000001001010000000000000000000000000000000	25-01-076229
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)C(=N)C=C(N)C	PC-id_144979497	319.402	VWOIUAYYQHZUGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076230
CCNC(=O)CN1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	MCULE-2022160450,PC-id_72026350,EMOLS-id_48990172,ZINC22_96402370	319.402	QATITTVBZLDLSW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076231
CCN(C(=O)N1CCN(CC1)C(=O)c1nn2c(c1)CCC2)CC	EMOLS-id_101204145	319.402	IRCUDYIJWNFLDN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076232
CCN(C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)CC	EMOLS-id_110351334	319.402	YNTAFOFYQGYKLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076233
CC(=O)NCc1nnc2n1C(CC2)C(=O)NC1CCCCCC1	PC-id_134798884	319.402	YQTRAAUFCLQCDM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076234
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCC1CCCCC1	PC-id_134800244	319.402	KLPRZCIODOCBFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076235
CC(=O)NC(C(=O)N(Cc1nnc2n1CCC2)C)C1CCCC1	EMOLS-id_31936756,MCULE-6343562265,PC-id_45819281	319.402	YLZRBFOPTSLQAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076236
CC(=O)N[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C1CCCC1	PC-id_94024555,ZINC22_44934936	319.402	YLZRBFOPTSLQAO-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076237
CC(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C1CCCC1	ZINC22_44934939,PC-id_94024557	319.402	YLZRBFOPTSLQAO-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076238
Cn1nc2c(c1NC(=O)CNC(=O)NCC1CCCC1)CCC2	PC-id_49384991,MCULE-9364076873,EMOLS-id_45644547,ZINC22_50610759	319.402	IIUIMPSBLPRILU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076239
CN(C)C(=O)N1CCN(C(=O)c2n[nH]c3c2CCC3)C(C)(C)C1	MCULE-6063323872,EMOLS-id_110863979,ZINC22_408126717	319.402	AVTNXGNERDABTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076240
COCc1nc2s/c(=Cc3ccc(SC)cc3)/c(=O)n2n1	EMOLS-id_324899331	319.402	VQWHFFCFQPLGDR-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076241
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)COC	MCULE-6956475224	319.402	VQWHFFCFQPLGDR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076242
N#Cc1ccc(cc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106919755	319.402	CILQPVVRDLMYMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076243
N#Cc1c(sc2c1CCC2)NC(=O)[C@@H]([N@@H+]1CCNC(=O)C1)C	GD-id_ZINC26196634	319.402	ZZCFWLIGOCGZNX-VIFPVBQESA-O	00000010100010000001000010000000000000000000000000000000	25-01-076244
O=C(C1CCN(CC1)C(=O)N(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110789598	319.402	HTDJKPGAQUQGSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076245
O=C(C1CCN(CC1)C(=O)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319711813	319.402	RSMDVUJHQZCDKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076246
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)(C)N1CCOCC1	EMOLS-id_319408260	319.402	CGXGSKNVSGEROY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076247
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)CN1CCOCC1	EMOLS-id_319551122	319.402	OHQJBWUYALEQCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076248
O=C(C1NCc2c1c[nH]n2)NCC1(CCOCC1)N1CCCC1	EMOLS-id_319293738	319.402	JQYAVEYQRJBXNF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076249
O=C(c1sc2c(c1)CCC2)NNC(=O)c1cccnc1S	MCULE-1958514701,PC-id_43046643,EMOLS-id_72991960	319.402	DWXROSKSSQNNGU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-076250
O=C([C@H]1CCCN(C[C@@H]2CCc3ncnn23)C1)N1CCOCC1	ZINC22_639441402	319.402	VDXWVITUJISUTB-KBPBESRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076251
O=C([C@@H]1CCCN(C[C@@H]2CCc3ncnn23)C1)N1CCOCC1	ZINC22_639441405	319.402	VDXWVITUJISUTB-KGLIPLIRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076252
O=C([C@H]1CCCN(C[C@H]2CCc3ncnn23)C1)N1CCOCC1	ZINC22_639441408	319.402	VDXWVITUJISUTB-UONOGXRCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076253
O=C([C@@H]1CCCN(C[C@H]2CCc3ncnn23)C1)N1CCOCC1	ZINC22_639441409	319.402	VDXWVITUJISUTB-ZIAGYGMSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076254
O=C([C@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCCCC1	ZINC22_1888901105	319.402	KVMOUHDNINNWBO-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076255
O=C([C@@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCCCC1	ZINC22_1888901106	319.402	KVMOUHDNINNWBO-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076256
O=C(CNC(=O)c1cnc2n1CCC2)NCCN1CCCCC1	EMOLS-id_258095052,MCULE-5568657295	319.402	ATKNUTDLLGNNNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076257
O=C(CNC(=O)c1nc2n(c1)CCC2)NCCN1CCCCC1	EMOLS-id_316570709	319.402	HKAJAWNMRXTAAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076258
O=C(N1CC(C1C1CCCO1)(C)C)NCc1nnc2n1CCC2	EMOLS-id_99624705	319.402	UNKNRLJAYKPKPL-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-076259
O=C(N1CCCC1C1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_98905195	319.402	ZLWRESYDGQXXPP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076260
O=C(N1CCN(C(C1)(C)C)C(=O)c1cnn2c1CCC2)N(C)C	EMOLS-id_101336854	319.402	IHORSFCWKRUPIJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076261
O=C(N1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)CCC2)N(C)C	EMOLS-id_101336863	319.402	FQEQYPMTBQBKJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076262
O=C(N1CCOCC1)C1CCCN(C1)CC1CCc2n1ncn2	MCULE-2906796594,EMOLS-id_316092304	319.402	VDXWVITUJISUTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076263
O=C(N1CCOCC(C1)C1CCC1)NCc1nnc2n1CCC2	EMOLS-id_100516796	319.402	MHCZSZBFHSVAEF-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-076264
O=C(NC1CC(n2c1ncc2)C)NC1CC(=O)N(C1)C(C)(C)C	EMOLS-id_101384440	319.402	CFZHYGLPNPPFHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076265
O=C(N(CC)CC)C1N(CC(N)C1)C(=O)c1n[nH]c2c1CCC2	PC-id_76406202	319.402	AACSYQSZXWUGKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076266
O=C(N(C)C)CN1CCCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_319359709	319.402	QDSHFGQECHZSKL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076267
O=C(NNC(=O)c1sc2c(c1)CCC2)/C=C/c1ncsc1	GD-id_ZINC50537041	319.402	PKPFLRVGOZUUOT-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076268
s1c2CCCc2cc1C(=O)NNC(=O)C1C=CC=NC1=S	PC-id_74855060	319.402	PHMNGIIMNVJXRD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-076269
s1c2c(CCC2)c(c1NS(=O)(=O)c1ccc(N)cc1)C#N	PC-id_61106710	319.402	UFRRGDWQSVLYBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076270
s1c2c(CCC2)c(c1NS(=O)(=O)c1cc(N)ccc1)C#N	PC-id_61106708	319.402	RBMSEQKYGHRYHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076271
s1c2c(CCC2)c(c1NS(=O)(=O)c1c(N)cccc1)C#N	PC-id_61106896	319.402	IRXBCMCZOSRALM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076272
s1c2CCCc2nc1NS(=O)(=O)c1ccc(cc1)CC#N	PC-id_79186156	319.402	KCYDFGMXGURMQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076273
s1c2CCCc2nc1NS(=O)(=O)c1c(ccc(c1)C#N)C	PC-id_64172998	319.402	ZVSKTBLKHQRXMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076274
s1c2CCCc2nc1NS(=O)(=O)Cc1c(cccc1)C#N	PC-id_60682908	319.402	CHXHNKKDNCAZPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076275
s1c2CCCc2nc1NS(=O)(=O)Cc1ccc(cc1)C#N	PC-id_60697602	319.402	LBINDMRYKGVQSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076276
Cc1cccc(c1)C(c1ccccn1)NC1CC(n2c1ncn2)C	EMOLS-id_319957103,MCULE-8707254166	319.404	OTOBUYRBNVBIQR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076277
c12sccn1cc(CC(=O)NCc1cn3c(SCC3)n1)n2	MCULE-1160150056,PC-id_74249791,EMOLS-id_49679054,ZINC22_97785561	319.405	YYRIOISZGOFMNP-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-076278
c1(C(=O)NCc2cn3c(SCC3)n2)c(C)nc2sccn12	EMOLS-id_49654466,ZINC22_97527357,PC-id_74237721,MCULE-8803386038	319.405	DCSIOBZIVPPXOH-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-076279
c1(NC(=O)CSc2nnc(C)[nH]2)sc2c(CCC2)c1C#N	EMOLS-id_181100167,MCULE-6296290230,PC-id_42092333	319.405	ZMXMCELLDMNXJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076280
c1(NC(=O)CSc2nncn2C)sc2c(CCC2)c1C#N	STOCK2S-99268,PC-id_728116,ZINC22_138247,EMOLS-id_691039,MCULE-1868110334,Chemmine_60266,CoCoCo_1946695	319.405	VUMASJYMOOLHRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076281
CN=C(N1CCCC(C1)CC(=O)N)NCc1nnc2n1CCC2	PC-id_120058649	319.405	KPWQUUNGEBCNMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076282
C(=C
/CCCC1)/C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328192866,MCULE-7878922802	319.419	JAWKSPZQJFXZLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076283
Cc1oc(c(c1)C(CNC(=O)c1sc2c(c1)CCC2)(O)C)C	PC-id_111912136	319.419	CAKHGQSOIPOWIV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076284
CC1OCC(C1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101124450	319.419	SJSKZTCCSJGWDV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-076285
CCOC(=O)c1c(NC(=O)/C=C/C2CCC2)sc2CCCc12	EMOLS-id_328163521	319.419	ZHCRFXNHBGLLGI-MDZDMXLPSA-N	00001010100000000000000010000000000000000000000000000000	25-01-076286
COC(C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)C1CC1	EMOLS-id_101817369	319.419	AVDLLHAJFWJLFP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-076287
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=CC1CCC1	MCULE-3963327913	319.419	ZHCRFXNHBGLLGI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-076288
O=CC1CCCCC1C(=O)Nc1sc2c(c1C(=O)C)CCC2	PC-id_142393488	319.419	QHUVVQOFFQOAJN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076289
O=C(C1CCCCO1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101168457	319.419	CZMOUTQCJHALNN-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-076290
O=C(C1CCCOC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101168484	319.419	QGLFWRIVJFVBMX-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-076291
O=C(C1CCOCC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	PC-id_122130984	319.419	WANHMWPRQUZEKG-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-076292
O=C(c1c(sc2c1CCC2)NC(=O)C1(C)CCCO1)C1CC1	EMOLS-id_101170338	319.419	AAFOGAKALKAMDG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-076293
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CC1CCCO1	EMOLS-id_101170365	319.419	DZCAPWDUMFITDL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-076294
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CC1CCOC1	EMOLS-id_101170329	319.419	TUHMEDIWOCSNOW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-076295
Nc1sc2c(c1C(=O)c1ccc(c3ccccc3)cc1)CCC2	CHEMBL125405,PC-id_10958156	319.42	ULVNQPQEQWFJDV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-076296
s1c2CCCc2cc1C(=O)Nc1c(c2ccccc2)cccc1	PC-id_26727141	319.42	BQDKUJMJTIJONU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-076297
s1c(Nc2ccccc2)c2CCCc2c1C(=O)c1ccccc1	PC-id_2360540	319.42	RQKFTLLWBAYJSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076298
C
(=C/Nc2ccccc2OCC)/C(=O)[n+]2c(C)csc2S1	SPECS-id_AT-225/NB55428,PC-id_45047690,MCULE-2255905965,ZINC22_102308786	319.422	KPSWZDYHMVNDQV-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-076299
c1(CN(C)Cc2ccc(cc2)S(=O)(=O)C)c2CCCc2[nH]n1	MCULE-3722422902,PC-id_77086383,EMOLS-id_49880110,ZINC22_215581925	319.422	ZLAVQFSDAIRKNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076300
c1(C(=O)N(CCOC)Cc2ccc(C)s2)c2CCCc2n[nH]1	PC-id_119068900,EMOLS-id_82727531,ZINC22_426551946,MCULE-5857582446	319.422	GWYFQBZBPGYOGR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076301
c1(NC(=O)COCC2CCNCC2)sc2c(CCC2)c1C#N	MCULE-9025882518	319.422	FOUGQJPSFMWGFZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076302
Cc1ccc(cc1C)CS(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318274600	319.422	FFKOPFWMZJRJEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076303
Cc1cc(C)c(c(c1C)S(=O)(=O)N1Cc2c(C1)cnn2C)C	MCULE-2454322868,EMOLS-id_316436356	319.422	IXQRIUPQLLUQAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076304
Cc1cc(C)c(c(c1)C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320568	319.422	QCYVJPJFTROPBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076305
Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_317926355	319.422	UAPODQDSGNAHKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076306
Cc1cc(C)c(c(c1)C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318788558	319.422	UVUYNGPKGCQSLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076307
Cc1nccn1CCCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956495	319.422	DMSTUURTBYBHAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076308
Cc1oc(c(c1)C(=O)Nc1c2CSCc2nn1C(C)(C)C)C	PC-id_121030661	319.422	CZPBMQUXWPDYNA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-076309
CCc1cccc(c1S(=O)(=O)N1Cc2c(C1)cnn2C)CC	MCULE-9628015465,EMOLS-id_316443475	319.422	RYAKJJYTJZUFEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076310
CC(c1ccccc1S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318889653	319.422	ITZZBZVMDLUZDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076311
CC(c1ccc(cc1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	MCULE-2621652495,EMOLS-id_320211847	319.422	DNCTVTUBTQPOFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076312
CC(c1nc(c(o1)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102181926	319.422	HYAQTLYWMYOVEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076313
C#CC1(O)CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_279109884	319.422	YIFWTARUENQIGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076314
CC(c1onc(n1)C(C)(C)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_99802589	319.422	RGPSJTWJZLRSRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076315
CC(Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	MCULE-1906910182,EMOLS-id_316424042	319.422	OKCCKOHGWRVYSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076316
CC(C)c1noc(CCCNC(=O)c2cc3c(s2)CCC3)n1	PC-id_49032696,MCULE-7748754381,EMOLS-id_44505416,ZINC22_61457931	319.422	RDFMOTJRXSVWMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076317
C[C@@](CO)(CNC(=O)c1cn2c(n1)CCC2)Cc1cccs1	ZINC22_1615046936	319.422	POCYXRYXFWMNBT-INIZCTEOSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076318
C[C@](CO)(CNC(=O)c1cn2c(n1)CCC2)Cc1cccs1	ZINC22_1615046937	319.422	POCYXRYXFWMNBT-MRXNPFEDSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076319
C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	CoCoCo_4468294,CoCoCo_4468293,ZINC22_28894084	319.422	CSNFYKKLSFCQDD-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-076320
C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC22_28894079,CoCoCo_4468292,CoCoCo_4468291	319.422	CSNFYKKLSFCQDD-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076321
C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1	PC-id_2325372,ZINC22_33403092	319.422	CWBFRVBTNAEFHJ-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076322
C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1	ZINC22_33403091,PC-id_2325370	319.422	CWBFRVBTNAEFHJ-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076323
C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)O1	ZINC22_33403093,PC-id_2325374	319.422	CWBFRVBTNAEFHJ-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076324
CN1CCN(CC1)C(=O)c1cc2N(CCc2s1)C(=O)C1CC1	PC-id_97524531,ZINC22_96264592,EMOLS-id_44379032	319.422	XLZNQAAEJHALJK-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-076325
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccccc1C(C)(C)C	EMOLS-id_316604757	319.422	KIEDAYUEACMURS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076326
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C	MCULE-4554234018,EMOLS-id_177305702	319.422	YRZSMRCANAFIIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076327
N#Cc1c(NC(=O)CCN2CCC(O)CC2)sc2c1CCC2	PC-id_36054800,EMOLS-id_30669893,MCULE-4409419592,ZINC22_28896469	319.422	LHAVSWTXNOTFQO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076328
N#Cc1c(NC(=O)CCN2CCOC(C2)C)sc2c1CCC2	EMOLS-id_31866640,PC-id_45802228,MCULE-4708214535	319.422	CSNFYKKLSFCQDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076329
N#Cc1c(NC(=O)C(N2CCC(C2)(C)O)C)sc2c1CCC2	EMOLS-id_111619342	319.422	LHWNRHPVWDLQDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076330
N#Cc1c(NC(=O)C(N2CCCC(C2)O)C)sc2c1CCC2	EMOLS-id_110847142	319.422	FMKPSLBTVHLUFG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076331
N#Cc1c(NC(=O)C(N2CCC(CC2)O)C)sc2c1CCC2	EMOLS-id_110847398	319.422	LPYPXXSKYHGSAD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076332
N#Cc1c(NC(=O)CN2CC(C)OC(C2)C)sc2c1CCC2	PC-id_3597534,EMOLS-id_45723421,MCULE-5508966227	319.422	CWBFRVBTNAEFHJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076333
N#Cc1c(NC(=O)C(N2CCOC(C2)C)C)sc2c1CCC2	EMOLS-id_110654821	319.422	CHHQTVXLIIRFBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076334
N#Cc1c(NC(=O)C(N2CCOCCC2)C)sc2c1CCC2	EMOLS-id_98836152	319.422	OHLAIIFCELUFKA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076335
OCC1CCN(C1)CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_111543713	319.422	ZLMFINPWPCXGQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076336
O=C(c1oc(nc1C)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183543,MCULE-3389557668	319.422	AXBMMKMIBXGTSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076337
OCC(Cc1cccs1)(CNC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_316915116,MCULE-2553377418	319.422	POCYXRYXFWMNBT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076338
OC[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_110935925	319.422	VFPQDJBIGXHSEQ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076339
OCCN(C1CC1)CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_110935867	319.422	XZALIUQVSWSZEJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-076340
O=C(Nc1nc2c(s1)CCC2)C1CCN(C(=O)C2CC2)CC1	ZINC22_25767828,CoCoCo_4164289,EMOLS-id_24970960,MCULE-7498968752,PC-id_33039493	319.422	ZSHPYOVHLBEOQS-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-076341
O=S(=O)(c1cnc2n1CCC2)N1CC2C(C1)C1CCC2C=C1	EMOLS-id_101316301	319.422	DJMFEGPAGHAQEB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-076342
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)CO)C#N	PC-id_72688200	319.422	VFPQDJBIGXHSEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076343
s1c2c(CCC2)c(c1NC(=O)CCN1CC(O)CCC1)C#N	PC-id_45772779	319.422	WDQNVGVZMUZJCR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076344
s1c2c(CCC2)c(c1NC(=O)CCN1[C@@H](CCC1)CO)C#N	PC-id_60264018	319.422	VFPQDJBIGXHSEQ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-076345
s1c2CCCc2nc1NC(=O)C1CN(C2CCCC2)C(=O)C1	PC-id_51233107	319.422	BPMQPLSFLYUKCJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-076346
c12SCCn1cc(CNC(=O)CCc1c(C)nn(C)c1C)n2	ZINC22_82097144,EMOLS-id_44428419,MCULE-2651652533,PC-id_70718886	319.425	XWEKXZHXFZHODZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076347
c1(CN2CCCC(COc3sccn3)C2)nnc2CCCn12	EMOLS-id_337721037,MCULE-7849469610	319.425	GMVRPIJBKBABLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076348
c1(CN(C)C(CC)C(=O)Nc2sccn2)c2CCCc2[nH]n1	MCULE-1210337019,PC-id_91843927,EMOLS-id_55710256	319.425	XJAUBXRFDOZHAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076349
c1(CN(C)C(=O)NCc2csc(CC)n2)c2CCCc2[nH]n1	MCULE-1432528447,ZINC22_426503619,EMOLS-id_177425123,PC-id_121502799	319.425	VXLYSCJCMPXSEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076350
c1(C(=O)NCc2cn3c(SCC3)n2)cc(nn1CC)C(C)C	PC-id_70726957,EMOLS-id_44711127,ZINC22_91487099,MCULE-4154241873	319.425	BKTMIJBYXQWFGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076351
c1(C(=O)NCc2cn3c(SCC3)n2)cc(nn1C)CC(C)C	PC-id_74236565,ZINC22_97499517,MCULE-9177223956,EMOLS-id_49652104	319.425	QCGZEROPONOVGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076352
c1csc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)n1	ZINC22_2298180917	319.425	GMVRPIJBKBABLH-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076353
c1csc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)n1	ZINC22_2298180918	319.425	GMVRPIJBKBABLH-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076354
c1(sc(nc1C)NCC)C(=O)N(C)Cc1c2CCCc2[nH]n1	ZINC22_223147671,MCULE-3945144476,EMOLS-id_55689359,PC-id_91790183	319.425	IMJNBRBDENMSFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076355
CC1CN=C(S1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	MCULE-7005593766,PC-id_71986158,EMOLS-id_49075396	319.425	XHPKBRLKOUKUKV-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-076356
CCC(c1cccs1)NC(=O)NCCc1nnc2n1CCC2	PC-id_71972731,MCULE-6334271903,EMOLS-id_49103156	319.425	MCBPDUDSKAJMEF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076357
CC(Cc1cscc1)NC(=O)NCCc1nnc2n1CCC2	EMOLS-id_48254479,MCULE-9643255020,PC-id_75378328	319.425	MZPXJJYCQCNSOM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076358
CC(C)c1nc(CC(=O)N(C)Cc2nnc3n2CCC3)cs1	MCULE-8018097363,ZINC22_48344787,PC-id_53498839,EMOLS-id_35709718	319.425	AGSOFCCQCKWFOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076359
CC(Cc1ncc(s1)C(=O)NC(c1nnc2n1CCC2)C)C	MCULE-7239981809,PC-id_136562725,EMOLS-id_316961681	319.425	VYQQOWQCKKYZOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076360
CC(C)Cc1ncc(C(=O)N[C@@H](C)c2nnc3n2CCC3)s1	ZINC22_930485010	319.425	VYQQOWQCKKYZOY-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-076361
CC(C)Cc1ncc(C(=O)N[C@H](C)c2nnc3n2CCC3)s1	ZINC22_930485011	319.425	VYQQOWQCKKYZOY-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076362
CC(CC(C(=O)Nc1nccs1)NC1CCn2c1ncc2)C	EMOLS-id_318359607	319.425	PPECHWCGLOZRMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076363
CC(C)[C@H](NC(=O)NCc1nnc2n1CCC2)c1cccs1	PC-id_95126836,ZINC22_65400954	319.425	NQFCCHVCVVDESJ-AWEZNQCLSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076364
CC(C)[C@@H](NC(=O)NCc1nnc2n1CCC2)c1cccs1	PC-id_95126837,ZINC22_65400956	319.425	NQFCCHVCVVDESJ-CQSZACIVSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076365
CC[C@H](C(=O)Nc1nccs1)N(C)Cc1n[nH]c2c1CCC2	ZINC22_244874890	319.425	XJAUBXRFDOZHAE-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076366
CC[C@@H](C(=O)Nc1nccs1)N(C)Cc1n[nH]c2c1CCC2	ZINC22_244874891	319.425	XJAUBXRFDOZHAE-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076367
CC[C@@H](NC(=O)NCCc1nnc2n1CCC2)c1cccs1	PC-id_97048616,ZINC22_86369931	319.425	MCBPDUDSKAJMEF-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076368
CC[C@H](NC(=O)NCCc1nnc2n1CCC2)c1cccs1	ZINC22_86369927,PC-id_97048615	319.425	MCBPDUDSKAJMEF-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-076369
CC(C)n1ccc(NC(=O)Nc2nc3c(s2)CCC3(C)C)n1	EMOLS-id_102008844,MCULE-9256025490,ZINC22_333502181	319.425	HWCHQIUQIAMIPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076370
C[C@@H]1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1	ZINC22_73118119,PC-id_95905529	319.425	XHPKBRLKOUKUKV-SNVBAGLBSA-N	00000011100010000001100010000000000000000000000000000000	25-01-076371
C[C@H]1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1	ZINC22_73118121,PC-id_95905530	319.425	XHPKBRLKOUKUKV-JTQLQIEISA-N	00000011100010000001100010000000000000000000000000000000	25-01-076372
C[C@@H](Cc1ccsc1)NC(=O)NCCc1nnc2n1CCC2	PC-id_97048619,ZINC22_86370272	319.425	MZPXJJYCQCNSOM-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-076373
C[C@H](Cc1ccsc1)NC(=O)NCCc1nnc2n1CCC2	PC-id_97048620,ZINC22_86370274	319.425	MZPXJJYCQCNSOM-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076374
C[C@H](CNC(=O)NCCc1nnc2n1CCC2)c1cccs1	PC-id_97048749,ZINC22_86402037	319.425	GXXFQSMXTBVMBV-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076375
C[C@@H](CNC(=O)NCCc1nnc2n1CCC2)c1cccs1	ZINC22_86402035,PC-id_97048748	319.425	GXXFQSMXTBVMBV-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-076376
CCn1cnnc1C1OCCN(C1)Cc1sc2c(n1)CCC2	EMOLS-id_316029689,MCULE-9593601844	319.425	RKSDZZLIEDYCDE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076377
CCn1cnnc1[C@H]1CN(Cc2nc3c(s2)CCC3)CCO1	ZINC22_328643567	319.425	RKSDZZLIEDYCDE-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076378
CCn1cnnc1[C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1	ZINC22_328643568	319.425	RKSDZZLIEDYCDE-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076379
CN(C(=O)Nc1sc2c(n1)CCC2)Cc1c(C)nn(c1C)C	EMOLS-id_318490391	319.425	AIVVZFULWOCSOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076380
N#CCN1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_319980554,MCULE-1023010356	319.425	CIRMBPGQYYYKQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076381
O=C(c1cc(nn1C)C(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99846215	319.425	VDSNDFNPDDRXNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076382
O=C(c1cnn(c1C)C(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99828457	319.425	YOHOOKPUTMWGFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076383
O=C(NC1CC(n2c1ncc2)C)Nc1ncc(s1)C(C)(C)C	EMOLS-id_101377942	319.425	NOHCXWOIUGCBDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076384
O=C(NC1CC(n2c1ncc2)C)Nc1scc(n1)C(C)(C)C	EMOLS-id_101386396	319.425	OTGRSBCSACIZMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076385
O=C(Nc1n[nH]cc1C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010848	319.425	LBKOOZLRQUXGLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076386
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1cc(nn1C)C	EMOLS-id_102008910	319.425	AXNMTJISYVQFAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076387
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1cnn(c1C)C	EMOLS-id_102005595	319.425	DJGSDDMMTARADV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076388
O=C(NC(c1cccs1)C(C)C)NCc1nnc2n1CCC2	MCULE-2230465898,EMOLS-id_35718634,PC-id_53500708	319.425	NQFCCHVCVVDESJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076389
O=C(NC(c1ccn(n1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010899	319.425	LCVBHMSOEBNNGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076390
O=C(N(Cc1ccnn1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318598830	319.425	JKSBRWKYANANMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076391
O=C(N(Cc1ccn(n1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318661518	319.425	WLZRJTGWZPWBJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076392
O=C(N(Cc1cncn1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318431168	319.425	ZOVGCPRVASYSQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076393
O=C(NC(c1cnn(c1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003588	319.425	KGWBSFBVJDKUCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076394
O=C(N(Cc1cnn(c1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318585674	319.425	NKFARDCCVVSKFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076395
O=C(N(Cc1nccn1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005643	319.425	RSPZDRUKCKOJQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076396
O=C(NC(c1ncc(s1)C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101577144	319.425	MFPPWEICIANXFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076397
O=C(NC(c1scc(n1)C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101579223	319.425	VMMCLKSJSUUILB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076398
O=C(NCC(c1cccs1)C)NCCc1nnc2n1CCC2	MCULE-1850635679,EMOLS-id_45663987,PC-id_71922255	319.425	GXXFQSMXTBVMBV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076399
O=C(N[C@@H](c1cc(sc1C)C)C)NCc1nnc2n1CCC2	GD-id_ZINC48372682	319.425	YXRIYFGBLBWSBD-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076400
s1c(CNC(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1	PC-id_60273686	319.425	GLKHDBLLRGJTNU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076401
s1c(nc(c1C(=O)NCc1n2CCCc2nn1)C)CCCC	PC-id_39296845	319.425	BQSOPZRYUUIVBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076402
CCNC(=NCc1nnc2n1CCC2)NCc1ncc(s1)C	PC-id_111510285	319.428	HSWSLXNGFUVBRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076403
CCNC(=NCc1nnc2n1CCC2)NCc1scc(n1)C	PC-id_119117028	319.428	GSSSOGWCQBUKHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076404
CN=C(N(Cc1csc(n1)C)C)NCc1nnc2n1CCC2	PC-id_109422816	319.428	KCWRKYBRDSRQNQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076405
CN=C(NCc1nnc2n1CCC2)NCc1ncc(s1)CC	PC-id_111510281	319.428	LCVKSEZWPHUAMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076406
CN=C(NCc1nnc2n1CCC2)NCc1nc(c(s1)C)C	PC-id_111771872	319.428	ATEPBCMLYIFEGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076407
CN=C(NCc1nnc2n1CCC2)NCc1sc(nc1C)C	PC-id_111771868	319.428	AAJJQWFTCKLBFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076408
CN=C(NCc1nnc2n1CCC2)NCCc1csc(n1)C	PC-id_111020593	319.428	QZFPCFIPLPSSMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076409
CN=C(NCc1nnc2n1CCC2)NCCc1ncc(s1)C	PC-id_111791750	319.428	FDLHARLGNYERFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076410
O=C(c1c2n(CCC2)c(c1C(=O)OC)CCCC)CCCCC	PC-id_57408381	319.438	LNFXKJBMNCDOIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076411
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H](CCCC)O[C@@H](C(C)C)C1	ZINC22_1875247689,MCULE-2160466450,EMOLS-id_331090219	319.442	OHZKMYRNWUWRJZ-CZUORRHYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076412
C1CCCCCC(CCCCC1)NC(=O)c1nn2CCOc2c1	PC-id_91959878	319.442	QVFTZDHNMWOJEU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076413
CCOC(=O)C1CCc2c1nc(s2)CSc1ccccc1	PC-id_104287128	319.442	MGWXLLGFJCSYNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076414
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)OC(C)(C)C	PC-id_92109886	319.442	GSLWEZJMNBXMIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076415
s1c2c(CCC2)c(c1N=Cc1sccc1C)C(=O)OCC	PC-id_23827457	319.442	CGVPCTFHWJAHJN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076416
s1c2c(CCC2)c(c1N=Cc1sc(cc1)C)C(=O)OCC	PC-id_23827550	319.442	KDZGCVNRHIFQBG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076417
c1(CN2CCCC(C2)N(C)C(=O)C(C)(C)C)nnc2CCCn12	MCULE-4549674340,EMOLS-id_337701623	319.445	BODKRTBBUNPBKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076418
CC1CCCN(C1)CC(NC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101380687	319.445	WUHMKPMKKJDOJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076419
CC1CCCN(C1)C(CNC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101393071	319.445	NQDGCGRZIFZRLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076420
CC1CCN(CC1)C(CNC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101382550	319.445	OOBWHFOOFCDMKD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076421
CCC1(CCC1)CNC(=O)NC(c1nnc2n1CCC2)C(C)C	PC-id_71923067,EMOLS-id_45662345,MCULE-1758532164	319.445	HBDBOQGVUZBPGU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-076422
CCC1(CNC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)CCC1	ZINC22_84158259,PC-id_97005930	319.445	HBDBOQGVUZBPGU-CQSZACIVSA-N	00001010100000000001000010000000000000000000000000000000	25-01-076423
CCC1(CNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)CCC1	ZINC22_84158261,PC-id_97005931	319.445	HBDBOQGVUZBPGU-AWEZNQCLSA-N	00001010100000000001000010000000000000000000000000000000	25-01-076424
CC(C(c1nnc2n1CCC2)NC(=O)N1CCCCCCC1)C	MCULE-9786078162,EMOLS-id_49005338,PC-id_72020822	319.445	BPDWNHBLAYRBSV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076425
CC(C)(C)CCN1CCN(C(=O)N[C@H]2CCn3ccnc23)CC1	ZINC22_1414640410	319.445	GJMBEIWXJLSASC-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076426
CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CCn3ccnc23)CC1	ZINC22_1414640413	319.445	GJMBEIWXJLSASC-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076427
CC(C)[C@H](NC(=O)N1CCCCCCC1)c1nnc2n1CCC2	PC-id_97558522,ZINC22_96404823	319.445	BPDWNHBLAYRBSV-HNNXBMFYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076428
CC(C)[C@@H](NC(=O)N1CCCCCCC1)c1nnc2n1CCC2	ZINC22_96404824,PC-id_97558523	319.445	BPDWNHBLAYRBSV-OAHLLOKOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076429
CCC(C(=O)N1CCC(CC1)NC1CC(n2c1ncn2)C)CC	MCULE-5814723775,EMOLS-id_258181776	319.445	DFGFXRIHGGVLAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076430
CC(CN1CCC(CC1)NC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101392402	319.445	VESIGFIVZGKSKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076431
CCCN1CCC(CC1)N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101580987	319.445	SSJSFJZLWAZXMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076432
CC(C)NC(=O)CN1CCN(CC1)Cc1c2CCCc2nn1C	PC-id_136568108	319.445	QVWBBWLJVGRDTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076433
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1nnc2n1CCC2	PC-id_97048899,ZINC22_86428417	319.445	BNKNPVINRJRWRV-OLZOCXBDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076434
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCCc1nnc2n1CCC2	PC-id_97048902,ZINC22_86428420	319.445	BNKNPVINRJRWRV-QWHCGFSZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076435
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1nnc2n1CCC2	ZINC22_86428418,PC-id_97048900	319.445	BNKNPVINRJRWRV-STQMWFEESA-N	00000010100010000001000010000000000000000000000000000000	25-01-076436
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCCc1nnc2n1CCC2	ZINC22_86428419,PC-id_97048901	319.445	BNKNPVINRJRWRV-CHWSQXEVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076437
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2C)(C)C	SCHEMBL16627129,PC-id_118001255	319.445	RQYHJVPVXPRRME-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-076438
CCN1CCC(CC1C)N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579097	319.445	QGBMEYORJGOSIL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076439
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2C	PC-id_117997518,SCHEMBL16622326	319.445	USDYJERBEZEPNJ-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076440
CCN1CCN(CC1)CC(CNC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_316914601,MCULE-1831793835	319.445	SROPEUGOMCVZCX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076441
CCN1CCN(CC1)CC(CNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98409775	319.445	ZBTVKQBPPMSJPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076442
CCN1CCN(C[C@@H](C)CNC(=O)c2cn3c(n2)CCC3)CC1	ZINC22_574575587	319.445	SROPEUGOMCVZCX-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076443
CCN1CCN(C[C@H](C)CNC(=O)c2cn3c(n2)CCC3)CC1	ZINC22_574575588	319.445	SROPEUGOMCVZCX-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076444
CCN(CC1CCN(CC1)C(=O)NC1CCn2c1ncc2)CC	MCULE-4006800464,EMOLS-id_316919412	319.445	VMRACEAEHLPFOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076445
CCN(CC)CC1CCN(C(=O)N[C@H]2CCn3ccnc23)CC1	ZINC22_1364277574	319.445	VMRACEAEHLPFOI-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076446
CCN(CC)CC1CCN(C(=O)N[C@@H]2CCn3ccnc23)CC1	ZINC22_1364277591	319.445	VMRACEAEHLPFOI-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076447
CN1CCC(C1)N(C)CCC(=O)N(C)Cc1n[nH]c2c1CCC2	PC-id_91839494,MCULE-4456844972,EMOLS-id_55679471	319.445	CZQGZIKYOSMZJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076448
CN1CCCCC1CCN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579163	319.445	QSAMEVWIPBNHTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076449
CN1CCN(CC1)CCC(NC(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_100145516	319.445	FKRKWJVQMLRIJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076450
CN(CCC1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101581059	319.445	CXLBBZHCUKGWEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076451
CN(C(=O)C(C)(C)C)[C@@H]1CCCN(Cc2nnc3n2CCC3)C1	ZINC22_2087128263	319.445	BODKRTBBUNPBKO-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076452
CN(C(=O)C(C)(C)C)[C@H]1CCCN(Cc2nnc3n2CCC3)C1	ZINC22_2087128264	319.445	BODKRTBBUNPBKO-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076453
n1c2CCCc2sc1CCNC(=O)CSc1ccncc1	ZINC22_299777686,PC-id_118777636,MCULE-3166702864,EMOLS-id_68905468	319.445	NZJBNFQQTLJOGT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076454
O=C1C(CCCN1CC(C)(C)C)NC(c1nnc2n1CCC2)C	MCULE-9244729474,EMOLS-id_177300510	319.445	DDDWOJRWBXPQNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076455
O=C1NCCN(C1c1cccs1)Cc1sc2c(n1)CCC2	EMOLS-id_318495116	319.445	AMUWORYDAOAALC-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-076456
O=C(c1cc2c(s1)CCC2)N1CCN(c2nccs2)CC1	ZINC22_32612284,PC-id_39855862,MCULE-7041889241,EMOLS-id_35455131	319.445	LUIUNXZDJYQWPO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076457
O=C(N1C(CCCC1)CC)NC(C(C)C)c1n2CCCc2nn1	PC-id_60276709	319.445	WLWDHBZSVTYJBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076458
O=C(N1CCN(CC1)CCC(C)(C)C)NC1CCn2c1ncc2	MCULE-3883091986,EMOLS-id_316534375	319.445	GJMBEIWXJLSASC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076459
O=C(NC1C(CC(CC1)(C)C)C)NCCc1n2CCCc2nn1	MCULE-1039275293,PC-id_71972714,EMOLS-id_49103206	319.445	BNKNPVINRJRWRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076460
O=C(NC1CC(n2c1ncc2)C)CCN1CCN(CC1)C(C)C	EMOLS-id_278892923	319.445	GSIJBOKPHWRHPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076461
O=C(NC1CCn2c1ncc2)CCCN1CCN(CC1)C(C)C	MCULE-4878140211,EMOLS-id_319843797	319.445	JXHXKADZMIXJAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076462
O=C(NC1CC(n2c1ncc2)C)NC1CC(C)(C)NC(C1)(C)C	EMOLS-id_101400868	319.445	FWEFHWSELRNQHB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076463
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCCC1)N(C)C	EMOLS-id_101402002	319.445	JBWMUHDEWGOHFY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076464
O=C(NC1CC(n2c1ncc2)C)NCC1CCCN(C1)C(C)C	EMOLS-id_101418624	319.445	ONLCSQPSAWUODZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076465
O=C(NC(c1nnc2n1CCC2)C)NC1CCC(CC1)C(C)C	EMOLS-id_111516946	319.445	NSEOTPOIRODZMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076466
O=C(NC(c1nnc2n1CCC2)C)NCC1CCC(CC1)(C)C	EMOLS-id_110417702	319.445	PRNCKUJMVPCGFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076467
O=C(NCCc1n2CCCc2nn1)C(N1CCCCC1)C(C)C	PC-id_53623391	319.445	KSIIVEHLFMMEJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076468
s1c2c(CCC2)cc1CNCc1n2c(scc2)nc1OC	PC-id_61206847	319.445	AGPYBGUKVJTQJN-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-076469
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC)C#N	PC-id_51600562	319.445	ZQANQZLXKMYHOU-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-076470
CCCN1CCC(CC1)NC(=NC)NCc1nnc2n1CCC2	PC-id_111019709	319.448	CHAAWEPGDSVECR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076471
CCNC(=NCc1nnc2n1CCC2)NCC1CCCN1CC	PC-id_111020335	319.448	AOTFQGAQEMCRCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076472
CCNC(=NCc1nnc2n1CCC2)NCCN1CCCCC1	PC-id_111020545	319.448	HZHKLBGNVVDAMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076473
CN=C(NC1CCN(CC1)C(C)C)NCc1nnc2n1CCC2	PC-id_119132224	319.448	ADKMPIRDMIJCJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076474
CN=C(NC1CN(CC1C)C(C)C)NCc1nnc2n1CCC2	PC-id_109699615	319.448	RDUIKYDLKGNTDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076475
CCC1CCCCC1C(=O)Nc1sc2c(c1C(=O)C)CCC2	PC-id_142393499	319.462	HKRYCRPMBAYTGC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076476
CCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)/C=C/C	PC-id_71273442,SCHEMBL14725894	319.462	MPCJIZOTSYPNAZ-VZUCSPMQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076477
s1c(c2c(C(=O)N(CCCCCCCC)C2=O)c1C=CC)C	PC-id_78059985	319.462	MPCJIZOTSYPNAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076478
O=C1C(NCc2sc3c(n2)CCC3)CCN1C1CCCCC1	MCULE-5377192400,EMOLS-id_318060510	319.465	GFTKGZWQTPUQDZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076479
s1c2CCCc2c(c1NC(=O)CCN(CCC)CCC)C#N	PC-id_48078910	319.465	HQHFFTHMWKAELX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076480
s1c(nc2c1CCC2)CN1CCN(C(=O)C2CCCC2)CC1	PC-id_44060339	319.465	BXOPBDWVEKGIMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076481
S(C1=C(C(=N)n2c(c(cc12)CCC)CCCC)C(=O)N)CC	PC-id_86054917	319.465	ZZWXUYWWDHPYDE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-076482
CC(c1sc(nc1C)C(C)(C)C)NCc1nnc2n1CCC2	EMOLS-id_317952968,MCULE-8662105207	319.468	QTFQOLUWWAFVAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076483
CC(C)(C)[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1	ZINC22_65518964,PC-id_95146044	319.485	RRZOLNNPQWSGNH-OAHLLOKOSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076484
CC(C)(C)[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1	ZINC22_65518967,PC-id_95146045	319.485	RRZOLNNPQWSGNH-HNNXBMFYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076485
O=C(c1sc2c(c1)CCC2)NC(C(C)(C)C)c1cccs1	PC-id_53510993,MCULE-4403086755,EMOLS-id_35718040	319.485	RRZOLNNPQWSGNH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076486
Cc1csc(n1)C1(CCCC1)NCc1sc2c(n1)CCC2	MCULE-5830781935,EMOLS-id_318207275	319.488	YNMPEEWSIOQGLU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-076487
CC(c1sc2c(n1)CCC2)NCCc1scc(n1)C1CC1	EMOLS-id_48302782,PC-id_75395445,MCULE-9385357859	319.488	KUTJZVFQMVZUKS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-076488
C[C@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2	PC-id_97251258,ZINC22_95451049	319.488	KUTJZVFQMVZUKS-JTQLQIEISA-N	00100010100000000001100010000000000000000000000000000000	25-01-076489
C[C@@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2	ZINC22_95451050,PC-id_97251259	319.488	KUTJZVFQMVZUKS-SNVBAGLBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-076490
CC1CCCCC1C(Nc1sc2c(c1C(=O)C)CCC2)(C)C	PC-id_142393466	319.505	FPAPWUWRQLJWJB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076491
CCCC(CO/C(=c
/c(=C)sc2c1CCC2)/N=CC)CCC	SCHEMBL19523857	319.505	WDDNJPYIUFCYDJ-WXJRBOPDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076492
CCCNC(c1sc2c(c1)CCC2)Cc1ccc(s1)CC	PC-id_115842422	319.528	ILLQNGZFSAHZEI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076493
s1c2c(CCC2)cc1C(NCC)c1sc(C(C)(C)C)cc1	PC-id_81634600	319.528	HHHSUMCMIRTDTM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-076494
Clc1cn(nc1NCc1cnc2n1CCC2)CC(F)(F)F	EMOLS-id_318117927,MCULE-8196013637	319.713	YWICNJPECUMZIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076496
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1cc(OC)ccc1	SCHEMBL11273142,PC-id_20528147	319.74	KSWDPTMMJZXMOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076497
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1c(OC)cccc1	SCHEMBL11268970,PC-id_20528180	319.74	AQXZAJMYRDPHGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076498
COc1ccc(C(=O)c2c(Cl)cc3n2CCC3C(=O)O)cc1	PC-id_13068186,SCHEMBL11274404,CHEMBL355015	319.74	KJHBKJZHYYKKEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076499
c1(C(=O)Nc2c(Cl)ccc(c2)C(=O)OC)c2CCCc2[nH]n1	PC-id_110388931,EMOLS-id_179744861,MCULE-6251410094	319.743	HVPAKLPYGMCEPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076500
c1(C(=O)Nc2c(Cl)ccc(c2)C(=O)OC)cn2c(CCC2)n1	MCULE-8317912795,EMOLS-id_321294812	319.743	UXAFPXPRVGPHFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076501
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)Cl)CC	MCULE-9722673855,SPECS-id_AN-153/NB21581,PC-id_135649917,EMOLS-id_24576468,STOCK6S-67822	319.746	FVJOSUUAAMIEFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076502
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1Cl)C)C	STOCK6S-54806,EMOLS-id_17111859,PC-id_135636005,MCULE-2046136583	319.746	XBSODOGOSNPYAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076503
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1Cl)CC	STOCK6S-76719,MCULE-4923255165,EMOLS-id_27445342,PC-id_135649925	319.746	JPAPLRSMWXCSOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076504
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(C)ccc(Cl)c1)C	MCULE-4026003131,PC-id_135649912,STOCK6S-79804,EMOLS-id_27450298,SPECS-id_AN-153/NB21580	319.746	AACRESHBBBAOKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076505
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)C)C	MCULE-4747346108,STOCK6S-69906,EMOLS-id_24579099,PC-id_135649906	319.746	ARCXOKOBWCIPOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076506
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1)CC	PC-id_135629432,MCULE-8712109648,EMOLS-id_24574431,STOCK6S-66232	319.746	PZCDCGVKWSLMTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076507
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1C)C	STOCK6S-45607,EMOLS-id_17098379,MCULE-4906175027,PC-id_135635944	319.746	XIPIJIJAWZAWKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076508
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)c(Cl)c1	PC-id_135904162,ZINC22_13733015	319.746	XBSODOGOSNPYAQ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076509
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)c(Cl)c1	PC-id_135904163,ZINC22_13733018	319.746	XBSODOGOSNPYAQ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-076510
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2	ZINC22_20728254,PC-id_135902278	319.746	ARCXOKOBWCIPOS-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076511
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2	ZINC22_20728258,PC-id_135902279	319.746	ARCXOKOBWCIPOS-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-076512
Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)N2	ZINC22_13689287,PC-id_135924934	319.746	XIPIJIJAWZAWKP-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076513
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)N2	ZINC22_13689289,PC-id_135924935	319.746	XIPIJIJAWZAWKP-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-076514
Cc1nc2n(n1)[C@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)N2	PC-id_135878619,ZINC22_31814436	319.746	AACRESHBBBAOKS-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076515
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)N2	ZINC22_31814440,PC-id_135878620	319.746	AACRESHBBBAOKS-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-076516
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1Cl)C(=O)N2	PC-id_135878571,ZINC22_31813032	319.746	JPAPLRSMWXCSOU-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076517
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)N2	PC-id_135878572,ZINC22_31813037	319.746	JPAPLRSMWXCSOU-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-076518
CCc1nc2n(n1)[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2	ZINC22_20715025,PC-id_135901644	319.746	PZCDCGVKWSLMTF-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076519
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2	ZINC22_20715029,PC-id_135901645	319.746	PZCDCGVKWSLMTF-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-076520
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2	ZINC22_20721230,PC-id_135901934	319.746	FVJOSUUAAMIEFH-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076521
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2	ZINC22_20721233,PC-id_135901935	319.746	FVJOSUUAAMIEFH-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-076522
Clc1ccc(C(=O)N2CCn3nc(NC(=O)NC)cc23)cc1	PC-id_58440751,SCHEMBL12307461	319.746	HQIRRBUFRJCQDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076523
Clc1cc(C(=O)N2CCn3nc(NC(=O)NC)cc23)ccc1	SCHEMBL12307444,PC-id_58441177	319.746	PMLOBTZHSODJIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076524
Clc1c(C(=O)N2CCn3nc(NC(=O)NC)cc23)cccc1	SCHEMBL12307442,PC-id_46184650	319.746	REYHSLFYZHSSRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076525
ClC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508277,SCHEMBL6375325	319.746	ZNMUNXSFAMMKEG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076526
CCOC(=O)c1cc2c([nH]1)C(=Cc1cc(cc(c1)Cl)F)CC2	PC-id_86638799	319.758	CMZQXGWQVGIIRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076527
Fc1cccc(c1[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCC2)Cl	EMOLS-id_318539459	319.761	WFZRRTXVWVRAIB-BXKDBHETSA-N	00100010100000110001100010000000000000000000000000000000	25-01-076528
O=C(c1cc2n(n1)CCC2)NC1CC1c1c(F)cccc1Cl	EMOLS-id_318699520	319.761	BWWSGBDMWMCNHV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-076529
O=C(c1cc2n(n1)CCC2)N[C@@H]1C[C@H]1c1ccc(c(c1)F)Cl	EMOLS-id_318520999	319.761	DAAXHYISQDAYGV-SMDDNHRTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-076530
O=C(c1cc2n(n1)CCC2)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	EMOLS-id_318699264	319.761	BWWSGBDMWMCNHV-ZWNOBZJWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-076531
O=C(c1cnc2n1CCC2)N[C@@H]1C[C@H]1c1ccc(c(c1)F)Cl	EMOLS-id_318516816	319.761	BIOJSTVLAHLSLI-GXFFZTMASA-N	00100010100000110001100010000000000000000000000000000000	25-01-076532
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H]1c1ccc(c(c1)F)Cl	EMOLS-id_318532473	319.761	SSCAFTOILSJUBP-IINYFYTJSA-N	00100010100000110001100010000000000000000000000000000000	25-01-076533
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	EMOLS-id_318459712	319.761	WLYUUFGXVVYIKP-NOZJJQNGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-076534
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1n[nH]c2c1CCC2	PC-id_139011571,EMOLS-id_320342877,MCULE-2549535224,ZINC22_280619795	319.761	GOPOJOQQCJHDJS-IINYFYTJSA-N	00100010100000110001100010000000000000000000000000000000	25-01-076535
C=CCOc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O	PC-id_117588425,ZINC22_256055794	319.766	UIUOYZWPHYIYEL-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076536
Clc1sc2CCC(Nc3c(cc([N+](=O)[O-])cc3)C#N)c2c1	PC-id_81233898	319.766	BVNLRBNBSCVSDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076537
Clc1sc2CCC(Nc3c([N+](=O)[O-])cc(cc3)C#N)c2c1	PC-id_81246347	319.766	WORHATYAHGWAHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076538
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC=C)c2=O	MCULE-8267302961	319.766	UIUOYZWPHYIYEL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076539
N#Cc1ccc(cc1Cl)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287789	319.766	PISOUNBRSCZIMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076540
N#Cc1ccc(c(c1)Cl)Nc1nc2c(s1)CCC2C(=O)O	PC-id_107810517	319.766	XUUVQWGBGXUYPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076541
N#Cc1ccc(c(c1)Nc1nc2c(s1)CCC2C(=O)O)Cl	PC-id_104289094	319.766	BAQMLUNRBIKTIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076542
Clc1c(C(C(=O)c2sc3CCCc3c2)C#N)ccc(F)c1	PC-id_63036026	319.781	HPEIJGSWLMEPRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076543
Clc1c(C(C(=O)c2sc3CCCc3c2)C#N)c(F)ccc1	PC-id_43334054	319.781	YZQRBKJGQRMUQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076544
Clc1c(F)c(C(C(=O)c2sc3CCCc3c2)C#N)ccc1	PC-id_82789275	319.781	FXUAEQPKLYJXHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076545
c12CN(Cc1nn(C(C)C)c2Cl)C(=O)OCc1ccccc1	EMOLS-id_324343394,MCULE-4429430206	319.786	ZWGYBDIHSRTNQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076546
c1(CN(C)C(=O)C(O)c2ccccc2Cl)c2CCCc2[nH]n1	PC-id_91760765,EMOLS-id_55604996,MCULE-1235524644	319.786	LYHMKMHYGSMGRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076547
c1(CNC(=O)c2cc(Cl)ccc2OC)c2CCCc2nn1C	EMOLS-id_53884601,PC-id_91819365,MCULE-9847030522,ZINC22_225817275	319.786	BWODCGYACAZUAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076548
c1(CNC(=O)COc2ccc(cc2)Cl)c2CCCc2nn1C	ZINC22_225818409,PC-id_91819402,MCULE-2697236122,EMOLS-id_53884673	319.786	BCOFYJRVLNREBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076549
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2Cl)OC)n1	MCULE-1751957141,EMOLS-id_331038215	319.786	ZCLNOHWACGQBDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076550
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2OC)Cl)n1	EMOLS-id_331037451,MCULE-3379797588	319.786	QXFVHHOBYXIOJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076551
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)OC)n1	MCULE-7516988296,EMOLS-id_331037959	319.786	KXADPFYRLGMJSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076552
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(OC)c2)Cl)n1	EMOLS-id_331037195,MCULE-1998916560	319.786	KFVFHIWWZMDDIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076553
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1Cl)OC	MCULE-5679782212,EMOLS-id_331020209	319.786	OZKMOTSXGZBFON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076554
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1OC)Cl	MCULE-5196385767,EMOLS-id_331019445	319.786	AQLQXFUSRSMIFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076555
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)OC	MCULE-6889097286,EMOLS-id_331019953	319.786	YSVQOXZOHYJBQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076556
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)Cl	MCULE-7381502358,EMOLS-id_331019189	319.786	BQOQBFNRVHXVDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076557
c1(C(=O)Nc2cc(C)c(cc2OC)Cl)c2CCCc2n(C)n1	EMOLS-id_179745496,MCULE-7662818311,GD-id_ZINC49679921,PC-id_110389144	319.786	CUSMOHRASJEZPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076558
CCC(c1cccc(c1)Cl)(C(=O)Nc1nn2c(c1)CCC2)O	EMOLS-id_324065902,PC-id_146105911,MCULE-3005761949	319.786	LUKJZAPHQZPIRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076559
CC(C(c1ccc(cc1)Cl)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_112363909	319.786	BNPSRUXXEMYXNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076560
CC[C@@](O)(C(=O)N=c1cc2n([nH]1)CCC2)c1cccc(Cl)c1	ZINC22_1875274601	319.786	LUKJZAPHQZPIRZ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076561
CC[C@](O)(C(=O)N=c1cc2n([nH]1)CCC2)c1cccc(Cl)c1	ZINC22_1875274602	319.786	LUKJZAPHQZPIRZ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076562
CCOc1cc(Cl)ccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319191396	319.786	OWCALSZPLHJPML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076563
CCOC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(cc1)Cl	SCHEMBL18740292	319.786	HNDAUDCTGJYMRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076564
Clc1cc(C(OC)CNC(=O)c2n[nH]c3c2CCC3)ccc1	PC-id_72118442,MCULE-1100081564,EMOLS-id_43390272	319.786	QSFQQTKXKJKOOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076565
COc1ccc(cc1CC(=O)NCc1cnc2n1CCC2)Cl	MCULE-6950047821,EMOLS-id_320070313	319.786	BGIZRDCGYOKXIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076566
COc1ccc(cc1CC(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_319751128	319.786	OGNOYINCOYKDPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076567
COc1cccc(c1Cl)CC(=O)NCc1cnc2n1CCC2	MCULE-7526698357,EMOLS-id_320204012	319.786	YNJSBVWNXIEHQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076568
COc1cc(ccc1Cl)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319041311	319.786	ISSGKALCLPGESZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076569
COc1cccc(c1Cl)CC(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319339361	319.786	PPYSVOCCUSOTIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076570
COc1cc(C)c(cc1Cl)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318676063	319.786	NYJWRVMDGHYVOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076571
COCC(c1cccc(c1)Cl)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_316909479,MCULE-6565206917	319.786	ACDLVIGCEUPLJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076572
COC[C@@H](NC(=O)c1cn2c(n1)CCC2)c1cccc(Cl)c1	ZINC22_570801756	319.786	ACDLVIGCEUPLJH-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076573
CO[C@@H](CNC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1	ZINC22_76067319,PC-id_96105532	319.786	QSFQQTKXKJKOOI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076574
CO[C@H](CNC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1	ZINC22_76067322,PC-id_96105533	319.786	QSFQQTKXKJKOOI-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076575
O=C(C(Cc1ccccc1Cl)O)NCc1cnc2n1CCC2	MCULE-1801278948,EMOLS-id_320109527	319.786	KEVDNJBVBIAYGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076576
O=C(C(Cc1ccccc1Cl)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319352485	319.786	ZEFYYOVHPGKTLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076577
O=C([C@H](c1ccccc1Cl)O)N(Cc1n[nH]c2c1CCC2)C	PC-id_100006088	319.786	LYHMKMHYGSMGRT-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076578
O=C([C@@H](c1ccccc1Cl)O)N(Cc1n[nH]c2c1CCC2)C	PC-id_100006092	319.786	LYHMKMHYGSMGRT-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076579
OCC(N(C(=O)c1cnc2n1CCC2)C)c1ccc(cc1)Cl	EMOLS-id_318126719	319.786	ATHQJJRMHQZNLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076580
O=C(C(Oc1ccccc1Cl)C)NCc1cnc2n1CCC2	EMOLS-id_318876270	319.786	OODGPAIETTVOEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076581
O=C(C(Oc1ccccc1Cl)C)NCc1n[nH]c2c1CCC2	MCULE-1536717307,EMOLS-id_320251323	319.786	SWZAPWKKDGJMIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076582
O=C(NC1CC(n2c1ncc2)C)COc1cccc(c1C)Cl	EMOLS-id_318663349	319.786	WGHUOEIUJCGHAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076583
O=C(Nc1n(C)nc2c1CCC2)COc1cc(Cl)ccc1C	EMOLS-id_318680715	319.786	DXEPACMWGVUYLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076584
O=C(NCc1cnc2n1CCC2)COc1cccc(c1C)Cl	EMOLS-id_319331485	319.786	UDQMCEYVQIPPNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076585
O=C(NCc1cnc2n1CCC2)COc1cc(C)ccc1Cl	EMOLS-id_320037170,MCULE-6267114328	319.786	XWPUMCRTJXQBLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076586
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(c(c1)C)Cl	EMOLS-id_318797625	319.786	KCEQGTVVVQOOPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076587
O=C(NCc1n[nH]c2c1CCC2)COc1cccc(c1C)Cl	EMOLS-id_319367175	319.786	IPABZFKCNPLVNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076588
O=C(NCc1n[nH]c2c1CCC2)COc1cc(C)ccc1Cl	EMOLS-id_320089548,MCULE-7145645712	319.786	IBCRHCNZDJEOEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076589
Cc1ccc(c(c1)Cl)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318527557	319.789	CCUCHOZHUJHIJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076590
Cc1ccc(c(c1)NC(=O)N(Cc1nnc2n1CCC2)C)Cl	EMOLS-id_318478024	319.789	UHGQGYWLTLHAAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076591
Cc1cc(C)c(c(c1)Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319680230	319.789	LTRZSWCRFRYUQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076592
Cc1cccc(NC(=O)NCCc2nnc3n2CCC3)c1Cl	MCULE-7320097162,ZINC22_84219385,PC-id_71857242,EMOLS-id_44582692	319.789	HLQBYCJJRIGEST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076593
Cc1ccc(NC(=O)N(C)Cc2nnc3n2CCC3)cc1Cl	ZINC22_8704813,CoCoCo_4490677,PC-id_17436031,EMOLS-id_12015327,MCULE-4909432137	319.789	DDIKNKXSJQXHHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076594
C[C@H](NC(=O)NCc1ccc(Cl)cc1)c1nnc2n1CCC2	ZINC22_89913807,PC-id_97089732	319.789	DQQPBHSSIPKECI-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-076595
C[C@@H](NC(=O)NCc1ccc(Cl)cc1)c1nnc2n1CCC2	ZINC22_89913808,PC-id_97089733	319.789	DQQPBHSSIPKECI-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076596
CCNc1ncc(cc1Cl)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319392268	319.789	RJQLFNBRDRLXTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076597
CCNc1ncc(cc1Cl)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319157186	319.789	UGDOAUBQWPWUAD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076598
CCNc1ncc(cc1Cl)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319452921	319.789	LSUNMTPSGPYZRC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076599
Clc1cccc(c1)C(C(=O)N(Cc1nnc2n1CCC2)C)N	EMOLS-id_318110762,MCULE-2668755428	319.789	REIBMFVDSVPZSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076600
Clc1ccc(c(c1)C)NC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318499957	319.789	XHPPLGNIIGTDGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076601
Clc1ccc(c(c1)NC(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_318561545	319.789	XHWHSIHASGPGJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076602
Clc1cc(C)c(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319449287	319.789	KVRPQIXJFWPXDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076603
Clc1ccc(CNC(=O)NC(c2n3CCCc3nn2)C)cc1	EMOLS-id_45648308,PC-id_71932222,MCULE-7877247851	319.789	DQQPBHSSIPKECI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076604
CNc1ccc(c(c1)Cl)C(=O)N(Cc1nnc2n1CCC2)C	MCULE-4202502105,EMOLS-id_318747545	319.789	FEKMRNQCLAQMMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076605
CNc1ccc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)Cl	MCULE-3523665233,EMOLS-id_318204190	319.789	ZISIOWOKGQSSEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076606
CNc1cc(Cl)ccc1C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_318280030,MCULE-4895339575	319.789	KPPWEQYUIQNVMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076607
CN(Cc1ccccc1Cl)C(=O)NCc1nnc2n1CCC2	MCULE-2795642923,PC-id_52380251,ZINC22_55077695,EMOLS-id_36261067	319.789	CECWSVCDTWATSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076608
CN(Cc1ccc(cc1Cl)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319701565	319.789	PIILNZPKZAXFHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076609
CN(Cc1cccc(Cl)c1)C(=O)NCc1nnc2n1CCC2	ZINC22_55077798,EMOLS-id_36627166,PC-id_52380254,MCULE-8204076509	319.789	HCHUPRLKVSULSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076610
CN(C(=O)Nc1c(C)cccc1Cl)Cc1nnc2n1CCC2	EMOLS-id_318637758	319.789	CJTAEKVQCRFIAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076611
O=C(c1nc(ncc1Cl)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319834185	319.789	XHZDJYZWXBZJQE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076612
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1Cl)C)C	EMOLS-id_319616767	319.789	NEONXKUDTKIBOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076613
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(C)c(c(c1)C)Cl	EMOLS-id_319143781	319.789	YUNROUJKWSVGNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076614
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(C)c(cc1Cl)C	EMOLS-id_319588373	319.789	WHIKJDIJKJKQGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076615
O=C(N(Cc1nnc2n1CCC2)C)Nc1cccc(c1C)Cl	EMOLS-id_318681208	319.789	VJFYYWGWYIQIOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076616
O=C(N(Cc1nnc2n1CCC2)C)Nc1ccc(c(c1)C)Cl	EMOLS-id_318711531	319.789	PAJPYFZMJODOQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076617
O=C(N(Cc1nnc2n1CCC2)C)Nc1cccc(c1Cl)C	EMOLS-id_318379252	319.789	BPCAPYWSVMSCNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076618
O=C(NCCc1nnc2n1CCC2)NCc1ccccc1Cl	EMOLS-id_43404333,MCULE-9837594246,ZINC22_75103676,PC-id_72104940	319.789	SLOPALIZIDLQAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076619
CC(c1cc2n(n1)CCC2)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	EMOLS-id_319958444,MCULE-5939739466	319.804	MXHZTNBDKDPDOF-WPJLSRQMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-076620
CCOC(=O)C1=Nc2c(C1)sc(c2)Cc1ccc(cc1)Cl	PC-id_142698079	319.806	KCROZCKTQAEICQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-076621
Clc1cc(C=Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_23960133	319.806	MWRSSFWTPNFCSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076622
Clc1c(n2CCC(c2c1)C(=O)O)C(=S)c1c(cccc1)C	PC-id_20528122,SCHEMBL11271840	319.806	CACIXLMMXDBGNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076623
Clc1c(n2CCC(c2c1)C(=O)O)C(=S)c1cc(ccc1)C	PC-id_20528133,SCHEMBL11264490	319.806	RAXRXMLMQXXWNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076624
Clc1c(n2CCC(c2c1)C(=O)O)C(=S)c1ccc(cc1)C	PC-id_20528182,SCHEMBL11278219	319.806	PECPCBIOBNCZOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076625
c1(NC(=O)C=Cc2ccccc2Cl)n(C)nc2CSCc12	MCULE-3523112313	319.809	CKUYBRGIEIVLKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076626
c1(NC(=O)C=Cc2ccc(cc2)Cl)n(C)nc2CSCc12	MCULE-5497140817	319.809	LHOMYGGMXCIQEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076627
c1(NC(=O)C=Cc2cccc(Cl)c2)n(C)nc2CSCc12	MCULE-9717200807	319.809	KZMXXYSBZBAMAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076628
CC(C)(C)c1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324850403	319.809	LHTATVAPMXXXCM-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076629
CC(C)Cc1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324856559	319.809	XXISOCRDBGHOBD-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076630
CC(C)(C)c1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324853472	319.809	IFEFVZBUVRJPLX-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076631
CC(C)Cc1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324855533	319.809	YZXAMNLUPHJJDS-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076632
C#CCn1ncc(c(c1=O)NCc1sc2c(c1)CCC2)Cl	PC-id_114434874	319.809	XAFFQJAEGUHPJM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076633
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccccc1Cl	EMOLS-id_334565304	319.809	CKUYBRGIEIVLKB-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076634
Cn1nc2CSCc2c1NC(=O)/C=C/c1cccc(Cl)c1	EMOLS-id_334565303	319.809	KZMXXYSBZBAMAL-AATRIKPKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076635
Cn1nc2CSCc2c1NC(=O)/C=Cc1ccc(Cl)cc1	EMOLS-id_334563768	319.809	LHOMYGGMXCIQEB-DAXSKMNVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076636
n12c(=O)c(=Cc3ccccc3Cl)sc1nc(C(C)(C)C)n2	MCULE-6182231428	319.809	LHTATVAPMXXXCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076637
n12c(=O)c(=Cc3ccc(cc3)Cl)sc1nc(C(C)(C)C)n2	MCULE-6765784040	319.809	IFEFVZBUVRJPLX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076638
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CC(C)C	MCULE-2550889259	319.809	XXISOCRDBGHOBD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076639
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)CC(C)C	MCULE-9638448411	319.809	YZXAMNLUPHJJDS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076640
N#Cc1nc2n(c1C)CC(S2)COc1ccc(c(c1)C)Cl	PC-id_145568414	319.809	DDAHINOOLODGIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076641
N#Cc1nc2n(c1C)CC(S2)COc1ccc(c(c1)Cl)C	PC-id_145568364	319.809	XVTBIOPIWHLKQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076642
N#Cc1cc(Cl)c(nc1C)NCCc1cn2c(n1)SCC2	EMOLS-id_318569789,MCULE-4771868941	319.812	SHWNTVYMGNUYGZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076643
N#Cc1c(NCCc2cn3c(n2)SCC3)ncc(c1C)Cl	MCULE-3681582534,EMOLS-id_318566185	319.812	BEGCCNQMFHUVNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076644
ClC1C(NC(=O)c2sc3c(CCC3)c2)CS(=O)(=O)C1	PC-id_78910766	319.827	CVLNRXRERFQBCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076645
COC(c1ccc(cc1)Cl)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318364986	319.829	BKDMSSAETIFFCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076646
COCC(c1ccc(cc1)Cl)CNC1CC(n2c1ncc2)C	EMOLS-id_318258790	319.829	REYOYFOPOFQTBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076647
OCC(c1ccc(cc1)Cl)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318189797	319.829	UODHRDJKLGVBJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076648
OCCC(c1ccc(cc1)Cl)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318314326	319.829	PWYLZFWZSBQXEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076649
ClCC(c1ccccc1)(NC(=O)c1sc2c(c1)CCC2)C	PC-id_105059878	319.849	HWCFATKSMLTJKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076650
ClCCCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_104307242	319.849	KIBHYLCWWQROBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076651
ClCC(NC(=O)c1sc2c(c1)CCC2)Cc1ccccc1	PC-id_114300317	319.849	RYOZPTFSQBMJLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076652
ClCCN(C(=O)c1sc2CCCc2c1)Cc1ccccc1	PC-id_63390717	319.849	DWJVKZDTOBLCSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076653
Cc1c(NCc2sc3c(c2)CCC3)nc(nc1Cl)C1CC1	PC-id_106194034	319.852	VIOMQGLHVWHZFI-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-076654
Clc1cccnc1N1CCC(C1)NC1CCc2c1scc2	MCULE-5024139108,EMOLS-id_318383492	319.852	FAHIRWCBMIGQLJ-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-076655
Clc1sc2CCC(Nc3ccc(N4CCCC4)nc3)c2c1	PC-id_81233601	319.852	YRXLYMPQNXGQLS-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-076656
Clc1sc2c(C(Nc3c(N4CCCC4)nccc3)CC2)c1	PC-id_81234219	319.852	JQRFXWKCCWODCN-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-076657
CCCNC(c1ccc(c(c1)Cl)C)c1sc2c(c1)CCC2	PC-id_107561834	319.892	WJKWGDDXUZTRTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076658
CCNC(c1cc(C)c(cc1Cl)C)c1sc2c(c1)CCC2	PC-id_115484133	319.892	ZOVWAXKQAXOPOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076659
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)C	PC-id_106867554	319.892	ANVBCWQCFNYEDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076660
Clc1ccc(CC(NCCC)c2sc3c(CCC3)c2)cc1	PC-id_63526708	319.892	VROAHUXABMQFIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076661
Clc1ccc(C(NCc2sc3c(CCC3)c2)CCC)cc1	PC-id_63452283	319.892	JTHDNTVTSBRVER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076662
Clc1c(cc(C(NCC)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64212021	319.892	CLOOOMNKBONNGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076663
Clc1cc(CC(NCCC)c2sc3c(CCC3)c2)ccc1	PC-id_63526930	319.892	WQTSBYZJTYUALS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076664
Clc1c(CC(NCCC)c2sc3c(CCC3)c2)cccc1	PC-id_63528933	319.892	MFJPLTHGNWWWFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076665
Clc1sc2c(C(NC(c3ccc(C(C)C)cc3)C)CC2)c1	PC-id_81234400	319.892	BKMVKHJZJZJYNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076667
Clc1sc2c(C(NC(CC(C)C)c3ccccc3)CC2)c1	PC-id_81234396	319.892	UZWQZOCEFLLYQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076668
Clc1sc2c(C(NC(C(C)(C)C)c3ccccc3)CC2)c1	PC-id_81234922	319.892	FBWSBSOTEMXFEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076669
COCC(=O)NC1C2=C(C=CN2CC3=CC=CC=C3)SS1	PC-id_153803545	320.065	NROBBIWCFCIHJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076670
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)[O-]	PC-id_164872126	320.071	JYGYEDLJAGASQX-GFCCVEGCSA-M	00000010100000110001000010000000000000000000000000000000	25-01-076671
C1C2=C(CN1S(=O)(=O)CC3=CC=CC=C3)NN=C2CC(=O)N	PC-id_153863882	320.094	DIYAOHXGVCZQIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076672
CCOC1=C(C=C(C=N1)C(=O)NC2=C3CCCC3=NN2C)Cl	PC-id_154736432	320.104	KCPHQRZPSPJPJF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076673
CC1(C2=NN(C(=C2CN1C(=O)[O-])NC(=O)C3CCC3)C(=O)[O-])C	PC-id_161267918	320.113	VDKVJFKNYOKKPK-UHFFFAOYSA-L	00001010100000000001000010000000000000000000000000000000	25-01-076674
Clc1sc(Cl)c2C(O)CC(NC(=O)C(F)(F)F)c12	PC-id_11109992	320.116	PMZKIPRVXVKHKO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076675
ICCCCC1(OC(=O)c2c1occ2)C	PC-id_10958167	320.124	JDFDFKOROXVCRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076676
COC(=O)Cn1nc2CCC(C)c2c1I	EMOLS-id_330965430,MCULE-5723851746	320.127	MENXVMDBKWXECH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076677
COC(=O)Cn1nc(I)c2C(C)CCc12	EMOLS-id_330984180,MCULE-6279910284	320.127	DWJDEGJPKACKLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076678
CC(NC(=O)N1Cc2c(C1)c([nH]n2)I)C	PC-id_10087338,SCHEMBL5720832	320.13	HBQWKWKECRVOMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076679
C1CC(CN(C1)C(=O)C2=NC3=C(S2)CCC3)N4CCNC4=O	MCULE-2182647473,EMOLS-id_316477566,PC-id_154775771	320.131	NBSIRZZGQQTJDL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-076680
CC1(CCOCC1)NC(=O)C(=O)C2=CC(=C3N2CCC3)C(=O)O	PC-id_164801005	320.137	ITLBSWXOVAKJLF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076681
Brc1ccc(C(=O)c2n(c3c(OC(=O)C3)c2)C)cc1	PC-id_9927062,SCHEMBL7674503	320.138	MQTFTYRPKBVBSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076682
BrC1=Cc2n(c(cc2S1(=O)=O)C(=O)OCC)C	PC-id_53342638	320.16	CIPVTPVLLCHOBI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-076683
CC1=C(C=CC(=C1)CNC2CCN3C2=NC=C3)OC4=CN=CC=C4	PC-id_154759940,MCULE-3457271382,EMOLS-id_317315804	320.164	SJRHUPYNRYPVRY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076684
CCC(O)Cn1nc2CCC(C)c2c1I	MCULE-6137685628,EMOLS-id_330966966	320.17	QRNCMGJDVHUYJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076685
CCC(O)Cn1nc(I)c2C(C)CCc12	EMOLS-id_330981621,MCULE-6242091920	320.17	KIXNYPKKEYBZOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076686
Clc1c(n2CC/C(=C(/Cl)c3ccccc3)/c2c1C=O)C=O	PC-id_56934372	320.17	MSMATGRERSXQMG-KAMYIIQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076687
Clc1c(n2CCC(=C(Cl)c3ccccc3)c2c1C=O)C=O	PC-id_76463006	320.17	MSMATGRERSXQMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076688
N#Cc1ccc(cc1Nc1sc2c(n1)CCC2)Br	PC-id_113648923	320.208	WCGNAGMCCSAQGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076734
B1(c2cscc2B(S1)C(C)(CC)CCC)C(C)(C)CCC	PC-id_91327908	320.172	PHBNLDNPGUHLKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076689
s1c2c(C(NC(=O)C(NC(=O)[B])CC(C)C)C(O)C2=O)cc1	PC-id_6338382	320.172	CAWMFZFMGZYNIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076690
Brc1cc(CC2CCc3c2[nH]c(c3)C(=O)O)ccc1	SCHEMBL1002980,PC-id_59180082	320.181	OGZHVSDLYWZAMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076691
Brc1cc(CC2CCc3[nH]c(cc23)C(=O)O)ccc1	SCHEMBL1006812,PC-id_59180076	320.181	FSSSJVYUQMIRCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076692
Brc1ccc(cc1)CC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1003668,PC-id_59180185	320.181	GCCICWWLMJPXNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076693
Brc1cccc(c1)CCC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317960788	320.184	BOFNWYUKXHENLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076694
Brc1cccc(c1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_318399354	320.184	GPVQDIZLZDGESO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076695
Brc1ccc(cc1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_318624019	320.184	MMVSHWCIDAZOQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076696
Brc1cccc(c1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318548988	320.184	ZCEFQCTZQVJTSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076697
Brc1ccc(cc1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318559296	320.184	DMWMYHUQFKGLHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076698
Brc1ccc(cc1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_318485938	320.184	XPMVEYXMMSYOLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076699
Brc1cccc(c1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_318525043	320.184	UAQBNLOIDLCMLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076700
Brc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317922473	320.184	CRYGSHCDNJTCIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076701
Brc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319765580	320.184	SYNVSXATFOTLIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076702
Brc1ccc(CC(=O)Nc2n[nH]c3CCCc23)cc1	PC-id_9901614	320.184	SUOSRIUBGMKTAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076703
Brc1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536268	320.184	NQBQIXQDWGVOSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076704
Brc1cc(CC(=O)Nc2n[nH]c3CCCc23)ccc1	PC-id_9923075	320.184	HBDHDGPAXSDBTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076705
Brc1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1	PC-id_45536269	320.184	UUMXHMAQGYUTPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076706
c1(C(=O)Nc2cccc(Br)c2)c2CCCc2n(C)n1	MCULE-9906530903,EMOLS-id_179745442,PC-id_110389126	320.184	OPPSDLRMJXFLML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076707
c1(C(=O)Nc2ccc(c(Br)c2)C)c2CCCc2[nH]n1	EMOLS-id_179744799,PC-id_110388911,MCULE-7319840392	320.184	ITPQWBXFVXJFLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076708
c1(C(=O)Nc2ccc(c(Br)c2)C)cn2c(CCC2)n1	MCULE-1539727276,EMOLS-id_321297370	320.184	JAZWPHJZGBUVNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076709
c1(C(=O)Nc2ccccc2Br)c2CCCc2n(C)n1	EMOLS-id_179745439,MCULE-8816201684,PC-id_110389125	320.184	BJFMLUWCBYJHIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076710
c1(C(=O)Nc2ccc(cc2)Br)c2CCCc2n(C)n1	PC-id_110389093,EMOLS-id_179745343,MCULE-3420291878	320.184	QCFUFDUOCCMHHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076711
c1(C(=O)Nc2ccc(cc2Br)C)c2CCCc2[nH]n1	MCULE-1810396264,EMOLS-id_179744900,PC-id_110388944	320.184	PYDDVKVYDMISHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076712
c1(C(=O)Nc2ccc(cc2Br)C)cn2c(CCC2)n1	MCULE-6665411029,EMOLS-id_321294557	320.184	WARJDXBOOAKCHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076713
c1(C(=O)Nc2ccc(cc2C)Br)c2CCCc2[nH]n1	MCULE-1776454539,PC-id_110388945,EMOLS-id_179744903	320.184	VWKGZTISQXFARH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076714
c1(C(=O)Nc2ccc(cc2C)Br)cn2c(CCC2)n1	EMOLS-id_321294813,MCULE-4668716992	320.184	GXRMUNCLPSMUKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076715
c1(C(=O)Nc2ccc(c(C)c2)Br)c2CCCc2[nH]n1	PC-id_110388946,EMOLS-id_179744906,MCULE-5486636273	320.184	TYJQDFFELOWOOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076716
c1(C(=O)Nc2ccc(c(C)c2)Br)cn2c(CCC2)n1	EMOLS-id_321295069,MCULE-7449647065	320.184	REVNSOVYUYFLOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076717
Cc1ccccc1CC(=O)N1CCn2ncc(Br)c12	PC-id_136554593,ZINC22_1616043376,EMOLS-id_316994826,MCULE-8714491290	320.184	ZUHOLAGCICLRCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076718
O=C(c1c(Br)nc2n1CCC2)NCc1ccccc1	EMOLS-id_318431049	320.184	LGWAPABLRAFHSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076719
O=C(c1ccccc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319938168,MCULE-4993132886	320.184	QKNGFZJBJHZFPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076720
O=C(c1cnc2n1CCC2)NCc1ccccc1Br	EMOLS-id_318826513	320.184	KZLZJSMAUFWYIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076721
O=C(c1cnn2c1CCC2)NCc1ccccc1Br	EMOLS-id_318389212	320.184	FYUQWJORMHXATF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076722
O=C(c1nn2c(c1)CCC2)NCc1ccccc1Br	EMOLS-id_318524223	320.184	FQQILOVBLFBUBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076723
O=C(CCc1ccc(Br)cc1)N1CCn2ccnc12	MCULE-1185251040,ZINC22_585122479,EMOLS-id_177338248	320.184	NRWYMPLBYYYHLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076724
CCOC(=O)N1CC2=C(ON=C2C1)N=C(CC3CCCCC3)N	PC-id_154293475	320.185	SCROXDPXRXTWSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076725
Clc1sc2CCC(Nc3c(Cl)cc(F)cc3F)c2c1	PC-id_83081879	320.185	ZCZAXQJPBDLNEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076726
Ic1c2CSCc2nn1CC1CCC1	MCULE-1379527564,EMOLS-id_324396889	320.193	JYFWPGAGIPAUEJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-076727
CC(=O)N1C[C@@H](CC[C@@H](C1)N)C(=O)NCC2=NN=C3N2CCC3	PC-id_165419769	320.196	NRDKDERNIHOHHE-NEPJUHHUSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076728
C=CCCCS(=O)(=O)N1CCn2ncc(Br)c12	EMOLS-id_316995592,PC-id_136554575,ZINC22_1775984758,MCULE-5146742304	320.206	PYRVKTWTMLQZBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076729
Brc1c(Nc2sc3CCCc3n2)ccc(c1)C#N	PC-id_82797387	320.208	DTDQBISAGIHDAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076730
N#Cc1cc(Br)ccc1Nc1sc2c(n1)CCC2	PC-id_113647376	320.208	GXFUCCGVTLPZEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076731
N#Cc1ccc(cc1Br)Nc1sc2c(n1)CCC2	PC-id_113940158	320.208	OGPQSCHQQAXAAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076732
N#Cc1c(cccc1Br)Nc1sc2c(n1)CCC2	PC-id_114880786	320.208	HZAAPGOFTVKAIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076733
N#Cc1cc(Nc2sc3c(n2)CCC3)cc(c1)Br	PC-id_102815758	320.208	JLAFNACXNGKXSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076735
Brc1cccc(c1C)CCNC1CCn2c1ncc2	MCULE-3267269952,EMOLS-id_318548770	320.228	PRKWNCIJPWNJEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076736
Brc1ccc(cc1)CCNC1CC(n2c1ncc2)C	EMOLS-id_317965133,MCULE-3425652901	320.228	FXUJRJXOYBXJOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076737
Brc1ccc(cc1C)CNC1CC(n2c1ncc2)C	EMOLS-id_318077684,MCULE-1015358963	320.228	QBJUQIFDEUTZAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076738
Brc1cccc(c1C)CNC1CC(n2c1ncc2)C	MCULE-6869112127,EMOLS-id_318372338	320.228	YGZSLJYCNMFFQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076739
Brc1ccc(c(c1)C)CNC1CC(n2c1ncc2)C	MCULE-9123204325,EMOLS-id_318324542	320.228	OFHNBHKRAMMIGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076740
Brc1cccc(c1)CCNC1CC(n2c1ncc2)C	MCULE-9990784171,EMOLS-id_318145884	320.228	VMNRTFQJYRTLAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076741
Brc1ccc(cc1C)CNCc1cnc2n1CCC2	MCULE-3317499310,EMOLS-id_317997616	320.228	WBVSREDJVUSYGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076742
Brc1ccc(c(c1)C)CNCc1cnc2n1CCC2	MCULE-7053282966,EMOLS-id_318115583	320.228	UTVIJSGLLPZLOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076743
Brc1ccc(cc1)[C@@H](NCc1cnc2n1CCC2)C	EMOLS-id_318390023,MCULE-1960330574	320.228	XNUIADKOVMTQRL-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-076744
Brc1ccc(cc1)[C@H](NCc1cnc2n1CCC2)C	MCULE-7250591660,EMOLS-id_318219040	320.228	XNUIADKOVMTQRL-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076745
Brc1ccc(cc1)[C@H](NCc1nn2c(c1)CCC2)C	MCULE-9124232710,EMOLS-id_318152811	320.228	ZBVVFBRNRGGRBC-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076746
Brc1ccc(c(c1)CNC1CC(n2c1ncc2)C)C	MCULE-8098318225,EMOLS-id_318289673	320.228	LZURITYTCRUESQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076747
Brc1ccc(cc1)C(NCc1cnc2n1CCC2)C	EMOLS-id_317943663,MCULE-3863284349	320.228	XNUIADKOVMTQRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076748
Brc1ccc(c(c1)CNCc1cnc2n1CCC2)C	MCULE-9070791438,EMOLS-id_318389763	320.228	QCIYETLJTDZBFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076749
Brc1cccc(c1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318185436,MCULE-4740029960	320.228	IPLAVWUZTTVQRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076750
Brc1ccc(cc1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318251323,MCULE-8063399749	320.228	VBESTUGATNNQCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076751
Brc1cc(C)c(c(c1)C)CNC1CCn2c1ncc2	MCULE-5531723705,EMOLS-id_318211661	320.228	IILOHIPLXOHNTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076752
Brc1c(C)cc(cc1C)NCc1cnc2n1CCC2	MCULE-2763119959,EMOLS-id_317962663	320.228	KGAIDEPKDCQFED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076753
Brc1ccc(Cn2nc3c(C(CC3)(C)C)c2N)cc1	PC-id_79866987	320.228	KOLBCUOPHOQZLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076754
Brc1cc(Cn2nc3c(C(CC3)(C)C)c2N)ccc1	PC-id_79867099	320.228	RQQOMGCAGJOHQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076755
Brc1c(Cn2nc3c(C(CC3)(C)C)c2N)cccc1	PC-id_79867218	320.228	NBBLCEKKWPSMFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076756
Brc1c(CNCc2cnc3n2CCC3)cccc1C	MCULE-3165263605,EMOLS-id_318389767	320.228	OVLRSMGCKOCMTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076757
c12CN(Cc1nn(CCC)c2Br)Cc1ccccc1	MCULE-6698316630,EMOLS-id_324338030	320.228	QOBQJVIAQADDTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076758
CC1CCc2c1c(CN)nn2Cc1ccc(Br)cc1	EMOLS-id_331012863,MCULE-9335064925	320.228	OAYZPWRMBHAYFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076759
CC1CCc2c1c(CN)nn2Cc1cccc(Br)c1	MCULE-7997418780,EMOLS-id_331014143	320.228	MPCGTSUXXYGTNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076760
CC1CCc2c1c(CN)nn2Cc1ccccc1Br	MCULE-4019160285,EMOLS-id_331015920	320.228	MAUULZFJMWABSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076761
CC1CCc2c1c(N)nn2Cc1ccc(Br)cc1C	EMOLS-id_330962935,MCULE-6454840379	320.228	OHLDJRJHWAIAMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076762
CC1CCc2c1c(N)nn2Cc1ccc(Br)c(C)c1	MCULE-7187831718,EMOLS-id_330963191	320.228	JPVWWUGSTLDGQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076763
CC1CCc2c1c(N)nn2Cc1cc(C)cc(Br)c1	EMOLS-id_330964471,MCULE-2382131848	320.228	ZHLSPKDUYRHJMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076764
CC1CCc2c1c(N)nn2Cc1ccc(C)c(Br)c1	MCULE-8527884374,EMOLS-id_330964215	320.228	OBUVXLOVKQZKNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076765
CC1CCc2c1c(N)nn2Cc1ccc(C)cc1Br	EMOLS-id_330961912,MCULE-4866861828	320.228	OCYJRUWAJXWLHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076766
CC1CCc2c1c(N)nn2Cc1cc(C)ccc1Br	EMOLS-id_330962168,MCULE-9576983612	320.228	RSPDWXZWGOWOBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076767
CC1CCc2c1c(N)nn2Cc1cccc(C)c1Br	EMOLS-id_330962424,MCULE-7266501428	320.228	OAZMBELTADFHHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076768
CC1CCc2nn(Cc3ccc(Br)cc3C)c(N)c12	MCULE-2377862209,EMOLS-id_331012004	320.228	OGFOPNQHPNSJIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076769
CC1CCc2nn(Cc3ccc(Br)cc3)c(CN)c12	MCULE-9596806853,EMOLS-id_330994618	320.228	JYZOPMYNDDFQBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076770
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(N)c12	MCULE-3865177145,EMOLS-id_331012260	320.228	FNSABMBANOMPHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076771
CC1CCc2nn(Cc3cccc(Br)c3)c(CN)c12	EMOLS-id_330995898,MCULE-1329496435	320.228	KQHNQRRDCONMTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076772
CC1CCc2nn(Cc3ccccc3Br)c(CN)c12	MCULE-2525380530,EMOLS-id_330997690	320.228	NWCDKQRTLJLNMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076773
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(N)c12	EMOLS-id_331013540,MCULE-4483981018	320.228	PRDUODBDTJPGDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076774
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(N)c12	MCULE-6048003708,EMOLS-id_331013284	320.228	TXSQHFQSVBQPGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076775
CC1CCc2nn(Cc3cc(C)ccc3Br)c(N)c12	EMOLS-id_331011237,MCULE-5813182118	320.228	KWXHEVAFJNUULA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076776
CC1CCc2nn(Cc3cccc(C)c3Br)c(N)c12	EMOLS-id_331011493,MCULE-1853307623	320.228	RIYZNUSXICNVSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076777
CC1CCc2nn(Cc3ccc(C)cc3Br)c(N)c12	MCULE-5594777995,EMOLS-id_331010981	320.228	ROTDWGLFPCRYKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076778
Cc1ccc(cc1Br)CNC1CC(n2c1ncc2)C	EMOLS-id_317980727,MCULE-1240298066	320.228	YRXOJLIHNBTEMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076779
Cc1cccc(c1Br)CNC1CC(n2c1ncc2)C	EMOLS-id_318085886,MCULE-2888446622	320.228	DCFMHKFXVXTUSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076780
Cc1ccc(c(c1)Br)CNC1CC(n2c1ncc2)C	MCULE-7875929229,EMOLS-id_318279940	320.228	CHNDMSAVCGITJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076781
Cc1ccc(cc1Br)CNCc1cnc2n1CCC2	MCULE-7452188264,EMOLS-id_318028834	320.228	IKIPHQGNCHXJEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076782
Cc1ccc(c(c1)CNC1CC(n2c1ncc2)C)Br	MCULE-3394171060,EMOLS-id_318369866	320.228	SWJOUNVSEVKONR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076783
Cc1ccc(c(c1)CNCc1cnc2n1CCC2)Br	EMOLS-id_318110531,MCULE-7566275756	320.228	NGNIXEKSMSCNTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076784
Cc1cc(C)c(cc1NCc1cnc2n1CCC2)Br	EMOLS-id_318050495,MCULE-3445050496	320.228	HFFILENDHFJSOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076785
Cc1c(CNCc2cnc3n2CCC3)cccc1Br	MCULE-5070555903,EMOLS-id_318197853	320.228	UEGIJYODSLRQST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076786
CCc1cc(Br)ccc1NCc1cnc2n1CCC2	MCULE-6955486057,EMOLS-id_317959090	320.228	HAILWKFQEIIVKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076787
CC(c1ccccc1Br)NCc1cnc2n1CCC2	EMOLS-id_317970841,MCULE-9332922298	320.228	ACMVDXPIMYOEFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076788
CC(c1nn2c(c1)CCC2)NCc1ccccc1Br	MCULE-4284674505,EMOLS-id_318107192	320.228	CFKOFJKFOCCTHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076789
CC(Cc1ccccc1Br)NC1CCn2c1ncc2	MCULE-3737670679,EMOLS-id_318365496	320.228	GERKOSYMBKYPHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076790
CC(NC1CCn2c1ncc2)Cc1ccc(cc1)Br	EMOLS-id_317968268,MCULE-8948184298	320.228	YFSZNGGKLQDHKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076791
CC(NC1CCn2c1ncc2)Cc1cccc(c1)Br	MCULE-8930043160,EMOLS-id_318257027	320.228	HKGPQBFYFQJACO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076792
Clc1c2NC(Cc2sc1Cl)C(=O)N1CCN(CC1)C	PC-id_71188702,SCHEMBL14496231	320.238	YGYZQCKEJLEKTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076793
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)N(C)C)C(=O)OC	EMOLS-id_324350570,MCULE-8200109822	320.268	VQZKKYAVNXVVTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076794
COC(=O)c1c(NC(=O)NC(C(F)(F)F)C)nc2n1CCC2	EMOLS-id_319503350	320.268	ZDQSLLHMUZCKPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076795
O=C(c1c2CCCn2c(c1C)C(=O)O)Nc1ccc(c(c1)F)F	SCHEMBL21296713,PC-id_139434876	320.291	HRSKJBTWLVFBFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076796
O=C(Nc1c(F)cccc1F)CCC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318028016	320.294	KXCGZMAZBKLVSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076797
c12CN(Cc1nn(CC(F)(F)F)c2CN(C)C)C(=O)OCC	MCULE-8613555883,EMOLS-id_324353638	320.311	QYWSFEBWRWWLDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076798
c12CN(Cc1nn(CC(F)(F)F)c2CN)C(=O)OC(C)(C)C	MCULE-2026372989,EMOLS-id_324349551	320.311	QYAPKVWXZXCMCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076799
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2F)F)n1	EMOLS-id_330994937,MCULE-1230588834	320.334	YMMWNKSUOJJPPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076820
n12N=C(C(C)(C)C)C(=N/N=C/[N-]C(=C=[N-])C(=N3)C#N)c1nc(n2)C	PC-id_59702998	320.312	CNFUQCPNFZUGCR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-076800
c1(ccc(F)c(F)c1O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328187713,MCULE-1393706161	320.314	XRBUTLMFSWTAFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076801
O=C1Cc2c(C1)n(nc2C(=O)O)S(=O)(=O)c1ccc(cc1)C	SCHEMBL5535608,PC-id_23135151	320.32	XGJZIMXZHVEDMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076802
O=C(O)c1coc(C2CN(C(=O)c3coc4c3CSC4)C2)n1	ZINC22_2325812922	320.32	RETVVICCFLTHND-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-076803
s1c(N/N=C/2c3n(N=C2NCC(=O)OC)nc(n3)C)ncc1	PC-id_59696967	320.33	JOBBXTGRKQSZTM-NVNXTCNLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-076804
s1c(NN=C2c3n(N=C2NCC(=O)OC)nc(n3)C)ncc1	PC-id_71098859	320.33	JOBBXTGRKQSZTM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-076805
CCOC(=O)C1CCc2c1nc(s2)NC1(CC1)C(F)(F)F	PC-id_106218821	320.331	ZFBBESSWTLGOTF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-076806
N#Cc1c(/N=C/c2ccccc2C(F)(F)F)sc2c1CCC2	CoCoCo_39721,PC-id_9591105	320.332	NZTHXBRZLRFULK-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076807
N#Cc1c(/N=Cc2ccccc2C(F)(F)F)sc2c1CCC2	CoCoCo_39722	320.332	NZTHXBRZLRFULK-NKVSQWTQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076808
s1c2CCCc2c(c1N=Cc1c(cccc1)C(F)(F)F)C#N	PC-id_825600	320.332	NZTHXBRZLRFULK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076809
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1F)C	EMOLS-id_330972849,MCULE-9110464556	320.334	SPDSDIGHMNICSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076810
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(C)cc(cc2F)F)n1	MCULE-9364660911,EMOLS-id_330993658	320.334	KPKMIPQRNXDUAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076811
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(F)c2C)F)n1	MCULE-2741147438,EMOLS-id_330993402	320.334	YIAXRWIJTGBXRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076812
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)cc(F)c2C)n1	EMOLS-id_330993146,MCULE-2320639635	320.334	JFQNNRDSBSTUST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076813
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(F)c1C)F	MCULE-8980369677,EMOLS-id_330975158	320.334	QDHJZDOPFBUVAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076814
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)cc(F)c1C	MCULE-3207150425,EMOLS-id_330974902	320.334	YWXHNEBAEUKHIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076815
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1F)F	MCULE-3146966134,EMOLS-id_330975929	320.334	AJDDRESANAQPQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076816
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)F	EMOLS-id_330976185,MCULE-6017936957	320.334	WFGDEZGXGHTWON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076817
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(F)c1F	MCULE-2822175438,EMOLS-id_330976699	320.334	PLWNLZSOGNCSGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076818
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(F)ccc1F	EMOLS-id_330976443,MCULE-9135183228	320.334	RTGATYIVTVOCET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076819
s1c2CCCc2cc1C(=O)Nc1c(c(F)ccc1)C(=S)N	PC-id_43580965	320.405	MTNZYFMQVBFCHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077093
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(cccc2F)F)n1	MCULE-8409423934,EMOLS-id_330996985	320.334	MVIADWYZMGUPEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076821
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(F)c2)F)n1	EMOLS-id_330994681,MCULE-5775651437	320.334	WXXAAIDVTFZXGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076822
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(F)c2F)n1	EMOLS-id_330996729,MCULE-8170663092	320.334	VSYNLPHUJYVARF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076823
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)ccc2F)n1	MCULE-2832406133,EMOLS-id_330997241	320.334	LUQRRTPPICQFDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076824
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)cc(F)c2)n1	EMOLS-id_330995194,MCULE-5635417295	320.334	NYIHNRGIWPDZBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076825
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1F)F	EMOLS-id_330979764,MCULE-5992294566	320.334	QUWCTQLWVNSVQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076826
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)F	MCULE-3342146833,EMOLS-id_330979508	320.334	DSHLQGDPYGVOJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076827
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(F)c1F	MCULE-4474292055,EMOLS-id_330977461	320.334	HCTJDFWEJDXGDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076828
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)ccc1F	MCULE-4031749423,EMOLS-id_330977973	320.334	PFJXBTPQKLVUHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076829
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)cc(F)c1	MCULE-6242694061,EMOLS-id_330980021	320.334	KICOPVUVJNSTAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076830
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1F	EMOLS-id_330977717,MCULE-3784229512	320.334	IVXFZNRICAENJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076831
COC(=O)c1c2C(C)CCc2nn1Cc1c(C)cc(F)cc1F	MCULE-9062513100,EMOLS-id_330975414	320.334	BTCITCHFMFUWPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076832
COC(=O)c1c2C(C)CCc2nn1C(C)c1c(F)cccc1F	MCULE-9750826501,EMOLS-id_330976187	320.334	DGJARTWDTZWDGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076833
OC(=O)OC1CCc2c1sc(c2C(=O)c1ccc(cc1)F)C	SCHEMBL10652319,PC-id_70413410	320.335	UDDHDTZHJRJJBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076834
CC(C(c1nnc2n1CCC2)NC(=O)c1cc(F)ccc1F)C	EMOLS-id_44508311,PC-id_60274614,MCULE-2611731930	320.337	SPHFUKBFAOHXAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076835
CC(C)[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCC2	PC-id_96472412,ZINC22_78562743	320.337	SPHFUKBFAOHXAN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076836
CC(C)[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCC2	ZINC22_78562741,PC-id_96472411	320.337	SPHFUKBFAOHXAN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076837
CCOc1cc(c(c(c1)F)Cn1c2c(CCC2)c(n1)C(=N)N)F	PC-id_90012752,SCHEMBL15531167	320.337	OXHTYGJYFNRVEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076838
Fc1ccc(c(c1)F)CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318524726	320.337	WSYGGTPDNALCFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076839
Fc1cc(cc(c1)F)CN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_318701320	320.337	RVTRDTXCVVFJQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076840
Fc1cc(N2CCOCC2)c(cc1NC1CCn2c1ncc2)F	EMOLS-id_318619124,MCULE-5370603924	320.337	AXLCEZFJRNWNHR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-076841
FC(C(NC(=O)N1CCn2c1ncc2)CCc1ccccc1)F	MCULE-9500790739,EMOLS-id_320075929	320.337	QJHMGISMDIYQKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076842
O=C(N(Cc1ccc(c(c1)F)F)C)NC1CC(n2c1ncc2)C	EMOLS-id_318460445	320.337	QRIFIUGWKNQDNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076843
O=C(N(Cc1c(F)cccc1F)C)NC1CC(n2c1ncc2)C	EMOLS-id_318498348	320.337	YCHKNOYILAOFPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076844
CN=C(NCc1nnc2n1CCC2)NCc1cc(F)ccc1F	PC-id_111780357	320.34	RZQWYERGYLNSEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076845
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)CCCCN=C=O)C	PC-id_10018889	320.34	NMUCESOCQYKTTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076846
c1(onc2CCCc12)NC(=O)c1cccc(Oc2ccccc2)c1	CoCoCo_5123845,EMOLS-id_12336537,PC-id_16942339,ZINC22_8976428,MCULE-3978028774,Chemmine_45368	320.342	KQDLEINXSBSCGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076847
COC(=O)NS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114462055	320.342	SKCYRVFIYRSEDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076848
N#Cc1ccc(c(c1)CS(=O)(=O)N1Cc2c(C1)cnn2C)F	MCULE-4748435765,EMOLS-id_319918606	320.342	RSFZSJASLOJOLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076849
N#Cc1cccc(c1F)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319905062,MCULE-4160794403	320.342	JSVSDHUWXULRSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076850
N#Cc1ccc(c(c1)F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318812708	320.342	ZUGAARVMLYCOLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076851
N#Cc1ccc(cc1F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319687804	320.342	KZZMPNSCVJQHOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076852
O1c2c(N(C(=O)c3ccc(cc3)c3ccccc3)C)[nH]cc2OC1	SCHEMBL2347185,PC-id_67372850	320.342	IWQFKDKWBUIHME-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076853
o1nc2CCCc2c1NC(=O)c1ccc(Oc2ccccc2)cc1	CoCoCo_5123847,PC-id_16942342	320.342	DIUIOGOULCCAQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076854
C1CC(OC1)C(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959894	320.344	WNGDWAUZUNAULD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076855
COC(=O)c1c(NC(=O)N2CC(C2)(O)C2CC2)nc2n1CCC2	EMOLS-id_319267827	320.344	RAMJPCUVYCXQSX-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-076856
COC(=O)c1c(NC(=O)N2CCC(=O)C(C2)C)nc2n1CCC2	EMOLS-id_319770155	320.344	LIYIGIXYFJYKKL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076857
COC(=O)c1c(NC(=O)NCC2CCC=CO2)nc2n1CCC2	EMOLS-id_319386268	320.344	YJFDHOPXDHNRJY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-076858
COC(=O)c1c(NC(=O)NCC2=CCCOC2)nc2n1CCC2	EMOLS-id_319626944	320.344	ZBLGXZPZWWOXNQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-076859
Cc1cccnc1Oc1ccc(cc1)C(=O)N1CCn2c1ccn2	MCULE-7578523533,EMOLS-id_320016555	320.345	NHJDNVPGIOSRKB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076860
O=C(c1cnc2n1CCC2)Nc1cccc(n1)Oc1ccccc1	MCULE-6966470500,EMOLS-id_320024203	320.345	MVCKKRBLNKVGEV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076861
O=C(c1n[nH]c2c1CCC2)Nc1cccc(n1)Oc1ccccc1	EMOLS-id_318826895	320.345	VHDPYDXOJFTHHG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076862
O=C(N1CCn2c1ccn2)c1ccc(cn1)OCc1ccccc1	EMOLS-id_318899745	320.345	BJXOTVNCYJRALH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076863
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(Oc2ccccc2)cn1	ZINC22_2325786832	320.345	HUTHTYSMWYOSTF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-076864
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)Cn1cc(nn1)CCCCC	SCHEMBL19518592	320.347	ISZKVSLPGRODGD-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076865
CCOC(=O)C1CCc2c1nc(s2)NCCOCC(F)F	PC-id_105922911	320.355	UYRAABCXISJNNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076866
FC(c1csc(n1)NCCc1nc2n(c1)CCS2)(F)F	MCULE-4941428083,EMOLS-id_318241464	320.357	SSDJAMZVSXSLAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076867
FC(c1nnc(s1)NCCc1sc2c(n1)CCC2)(F)F	MCULE-8701423071,EMOLS-id_318464170	320.357	JBSYLXYBOVPUMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076868
FC(c1nsc(n1)NCCc1sc2c(n1)CCC2)(F)F	MCULE-6355355469,EMOLS-id_318829313	320.357	SMUAMJDAWCTZNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076869
s1c2CCCc2cc1C(=O)NN=C(c1cc(F)c(F)cc1)C	PC-id_85015434	320.357	YNLOMMPQIKUWIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076870
s1c2CCCc2cc1C(=O)N/N=C(c1cc(F)c(F)cc1)/C	PC-id_9462333	320.357	YNLOMMPQIKUWIR-OCKHKDLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076871
s1c2CCCc2cc1C(=O)NN=C(c1c(F)cccc1F)C	PC-id_85015493	320.357	USUUGUSICVJAGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076872
s1c2CCCc2cc1C(=O)N/N=C(c1c(F)cccc1F)/C	PC-id_9462478	320.357	USUUGUSICVJAGX-OCKHKDLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076873
s1c2CCCc2cc1C(=O)NN=C(c1c(F)ccc(F)c1)C	PC-id_85015478	320.357	QHXBWCKKULAZHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076874
s1c2CCCc2cc1C(=O)N/N=C(c1c(F)ccc(F)c1)/C	PC-id_9462446	320.357	QHXBWCKKULAZHT-OCKHKDLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076875
s1c2CCCc2cc1C(=O)NN=C(c1c(F)cc(F)cc1)C	PC-id_85015435	320.357	NQIMXWNZETYSGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076876
s1c2CCCc2cc1C(=O)N/N=C(c1c(F)cc(F)cc1)/C	PC-id_9462335	320.357	NQIMXWNZETYSGC-OCKHKDLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076877
FC(CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_100190598	320.359	NIKWTJAHQYYFDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076878
s1c2CCCc2cc1C(=O)OCc1oc(c(c1)C(=O)OC)C	PC-id_7623704	320.36	UZARKZMRLPOYSP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076879
c1(NC(=O)c2c(C)c(on2)C)sc2c(CCC2)c1C(=O)OC	MCULE-7049410070,EMOLS-id_8865418,CoCoCo_6595827,PC-id_17026548,ZINC22_13641108,TIMTEC499864	320.364	VHFYFYOFDOVRTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076880
c1(NC(=O)c2c(C)noc2C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_21978915,CoCoCo_6846136,PC-id_17248987,TIMTEC440575,ZINC22_20294774,MCULE-3471278180	320.364	RZHNCBHGEFDVMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076881
c1(NC(=O)c2cc(on2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-6317296759,EMOLS-id_11488008,TIMTEC474299,CoCoCo_1074978,ZINC22_9204049,PC-id_16953676	320.364	UESSSEZNNNHQAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076882
c1(NC(=O)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6995104373,ZINC22_2872502,ChEMBL-DNDi_CHEMBL7944579,TIMTEC395504,EMOLS-id_2009345,CoCoCo_540694,CHEMBL1594557,ChEMBL-DNDi_CHEMBL1594557,PC-id_2225123	320.364	QAWWXEBFFLOQGV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076883
c1oc(CNC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	MCULE-7771462163,CoCoCo_6533748,STOCK6S-06524,EMOLS-id_4734444,ZINC22_6661821,PC-id_8030197	320.364	IWOMKPLFZKRQGA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-076884
c1(sc2c(CCC2)n1)NC(=O)c1cc(OC)c(c(OC)c1)O	MCULE-8357592232,EMOLS-id_323436604	320.364	UBBGVBBPJNKKHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076885
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)no1	PC-id_8359439,CoCoCo_4174578,ZINC22_7258130	320.364	NMDVKGAFHYEDDK-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076886
Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)no1	PC-id_8359443,CoCoCo_4174579,ZINC22_7258135	320.364	NMDVKGAFHYEDDK-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-076887
Cc1onc(c1)NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	MCULE-4327508768,EMOLS-id_11927306,PC-id_17408291	320.364	NMDVKGAFHYEDDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076888
CC(=O)OCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	PC-id_56665238,CHEMBL1821918	320.364	ATHWNELISWSOLZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-076889
Cn1c(COC(=O)c2cc3c(s2)CCC3)cc(=O)n(C)c1=O	PC-id_47016267,ZINC22_10620901,MCULE-2995688207,EMOLS-id_30649291	320.364	PKLHYDJJVVULCY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076890
O=C(Nc1onc2c1CCC2)Cc1ccc(cc1)S(=O)(=O)C	PC-id_16942413,CoCoCo_5123869	320.364	VNSZSKHUIKKNKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076891
OS(=O)NC(=O)C1CCn2c1ccc2C(=O)[C@@H]1CC=CC=C1	PC-id_118618281	320.364	ABJQYCHOXNQARJ-VUWPPUDQSA-N	00000010100011000000000010000000000000000000000000000000	25-01-076892
O=S(=O)NC(=O)C1CCn2c1ccc2C(=O)[C@@H]1CC=CC=C1	SCHEMBL17384920	320.364	KGEFJMXYWXAVQA-VUWPPUDQSA-N	00000010100011000000000010000000000000000000000000000000	25-01-076893
s1c2c(CCC2)c(c1NC=C(C(=O)OCC)C#N)C(=O)OC	PC-id_78631169	320.364	CYNHSLOLLIOGJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076894
s1c2c(CCC2)c(c1N/C=C(/C(=O)OCC)C#N)C(=O)OC	PC-id_8198757	320.364	CYNHSLOLLIOGJZ-CMDGGOBGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076895
s1c2c(CCC2)c(c1NC(=O)c1onc(c1)C)C(=O)OCC	PC-id_16879798	320.364	JOFPONCMAJDNSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076896
s1c2CCCc2c(c1NC(=O)COC(=O)C1OCCC1)C#N	PC-id_78625244	320.364	AKTKYTBDVBUVHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076897
s1c2CCCc2c(c1NC(=O)COC(=O)CCC(=O)C)C#N	PC-id_8613407	320.364	DSQOWKPTBMVCJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076898
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H]1OCCC1)C#N	PC-id_8175672	320.364	AKTKYTBDVBUVHR-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-076899
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H]1OCCC1)C#N	PC-id_8175673	320.364	AKTKYTBDVBUVHR-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076900
S1Cc2c(noc2NC(=O)Cc2cc(OC)c(OC)cc2)C1	PC-id_49719075	320.364	KCFGYQKWBAJXKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076901
S1Cc2c(noc2NC(=O)COc2ccc(OCC)cc2)C1	PC-id_49719069	320.364	DERNDTRNEHXYRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076902
S1(=O)(=O)Cc2c(nn(c2OC(=O)c2ccccc2)C(C)C)C1	PC-id_59050145	320.364	CUHCPDSPNNJWEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076903
c1(C(=O)/N=c/2[nH]c(c(C(=O)OCC)s2)C)c2CCCc2[nH]n1	EMOLS-id_49409749,MCULE-4983008942,PC-id_71709524,ZINC22_88287066,STOCK7S-37371,EMOLS-id_44754952	320.367	FIRUHBPQUUKKGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076904
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cn(C)nn1	MCULE-5295028225,EMOLS-id_328154387	320.367	NIZLSGCLEDPYIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076905
c1(C(=O)Nc2sc(c(CC)n2)C(=O)OC)c2CCCc2[nH]n1	MCULE-3703955477,EMOLS-id_323260341	320.367	PQQMJJQXKIRZMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076906
c1(C(=O)/N=c/2scc(CC(=O)OCC)[nH]2)c2CCCc2[nH]n1	ZINC22_95476179,PC-id_71705045,STOCK7S-36177,EMOLS-id_49405571,EMOLS-id_44752734,MCULE-3921878182	320.367	IQWIFMJLDPBQTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076907
c1(C(=O)Nc2sc(c(C(=O)OCC)n2)C)c2CCCc2[nH]n1	MCULE-6382088673,EMOLS-id_323260083	320.367	MVENCEKXRNYESM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076908
c1(C(=O)/N=c/2sc(c(C(=O)OC)[nH]2)CC)c2CCCc2[nH]n1	EMOLS-id_44759091,EMOLS-id_49407395,STOCK7S-39615,PC-id_71706975,ZINC22_95477860,MCULE-1244055979	320.367	QPCAOWFFUOWRAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076909
c1(C(=O)NCc2ccc(cc2)S(=O)(=O)N)c2CCCc2[nH]n1	MCULE-1694076246,EMOLS-id_48570122,PC-id_71704440,EMOLS-id_49405013,ZINC22_74643168,STOCK7S-44266	320.367	RKTPBKQLBNKNHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076910
c1(NC(=O)Cc2ccc(c(OC)c2)OC)nnc2SCCn12	EMOLS-id_16349469,MCULE-4690997172,ZINC22_8600613,PC-id_16031427,CoCoCo_2590526	320.367	WUMKFTRCWUIFLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076911
c1(NC(=O)C)c2CSCc2nn1CC(=O)NCc1ccco1	ZINC22_23139277,CoCoCo_5277686,MCULE-9337154561,PC-id_30862561,EMOLS-id_24913401	320.367	IPJFXIZIPAAVAR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-076912
Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68438985,SCHEMBL2913922	320.367	HLEWJBARUXTKHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076913
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68439835,SCHEMBL2916089	320.367	VQVARRRQMMUZDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076914
Cc1ccc(S(=O)(=O)N2Cc3n[nH]cc3[C@@H]2C(=O)N)c(C)c1	ZINC22_1775999191	320.367	RJLRHLCUUZIUJP-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076915
Cc1ccc(S(=O)(=O)N2Cc3n[nH]cc3[C@H]2C(=O)N)c(C)c1	ZINC22_1775999200	320.367	RJLRHLCUUZIUJP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076916
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc2c(s1)CCC2	EMOLS-id_31873310,ZINC22_25769257,PC-id_33040963,CoCoCo_4595760,MCULE-3370450209	320.367	KMZAFIYOMJAVIU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076917
C#CCCC1(CCNC(=O)c2[nH]cc3c2CCS3(=O)=O)N=N1	ZINC22_2325887304	320.367	FCWWTTOJRSWMJT-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-076918
CCNS(=O)(=O)c1cccc(c1)C(=O)N1CCn2c1ncc2	EMOLS-id_319985625,MCULE-2083821529	320.367	JCWGOGSNGPSQHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076919
CCOc1ccc(cc1)OCC(=O)Nc1nnc2n1CCS2	ChEMBL-DNDi_CHEMBLF2079-0099,CoCoCo_2590516,CHEMBL1356509,PC-id_16031406	320.367	HQXPIFSWIDGDGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076920
CCOC(=O)c1c(N=Nc2c(C)[nH][nH]c2=O)sc2c1CCC2	PC-id_145978770	320.367	GMNCEEKDRPPRBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076921
CC(=O)Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C	SCHEMBL2918158,PC-id_68440536	320.367	OWDCPLTUZNOYTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076922
CC(=O)Nc1cc(ccc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316617786	320.367	UZXHTRVINXEAIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076923
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_317948413	320.367	UOAVTLRDQXBQJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076924
CC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_320218532,MCULE-6678782155	320.367	PABCBMXZXLSBFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076925
CC(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68440540,SCHEMBL2918165	320.367	SOUKTWMHBBBXMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076926
CC(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68441413,SCHEMBL2920855	320.367	YLPXXNZUGXDEHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076927
CC(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251729	320.367	RPKXAOZGPZUPNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076928
CC(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2918162,PC-id_68440537	320.367	LYHPZKCQIJVTMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076929
CCS(=O)(=O)Nc1cccc(c1)C(=O)N1CCn2c1ncc2	EMOLS-id_319504742	320.367	IKPSRXNWDWTFTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076930
CNC(=O)c1ccc(cc1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-7594305494,EMOLS-id_316414278	320.367	JVOKRQGIOPOOSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076931
COc1ccc(c(n1)OC)NC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319479871	320.367	NZXFUSUXTOHHNY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076932
COC(=O)c1c(NC(=O)NCc2cccs2)nc2n1CCC2	EMOLS-id_319163585	320.367	GMQAORDITZGICT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076933
COC(=O)c1c(NC(=O)NCc2cscc2)nc2n1CCC2	EMOLS-id_319689259	320.367	JFQJWBLTUZEQMQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076934
COC(=O)Cc1csc(CNC(=O)c2n[nH]c3c2CCC3)n1	PC-id_146142400,ZINC22_1875275120	320.367	ARJKKWJZECSXRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076935
CS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	PC-id_25467168,ZINC22_12731757,CoCoCo_4560429,EMOLS-id_16787350,MCULE-5747556509	320.367	WDXWYQXULYYUSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076936
CS(=O)(=O)Nc1cccc(C(=O)N=c2cc3n([nH]2)CCC3)c1	MCULE-4508442530,ZINC22_1875274611,EMOLS-id_324065903,PC-id_146105921	320.367	MWDUISKTHYRFHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076937
NC(=O)C1c2c[nH]nc2CN1S(=O)(=O)c1ccc(cc1C)C	EMOLS-id_317041738,MCULE-3978178326	320.367	RJLRHLCUUZIUJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076938
O=C(c1ccccc1C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2914441,PC-id_68439217	320.367	YEKORWZGFGOCQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076939
O=C(c1ccc(c(n1)C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112093976	320.367	VWUONDDLSAAPKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-076940
O=C(c1cn(C)c(=O)[nH]c1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180192	320.367	GQBORKJKJZJDFM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076941
O=C(c1cnc(s1)C1OCCO1)NCc1cnc2n1CCC2	EMOLS-id_319242960	320.367	MQKLDPOBLSDVLC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-076942
O=C(c1cnc(s1)C1OCCO1)NCc1n[nH]c2c1CCC2	EMOLS-id_319243888	320.367	KBXYQMGDFTVZOA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-076943
O=C(c1c[nH]c(=O)n(c1=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102162424	320.367	UTHHKHRKBDGJDD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076944
O=C(c1n(C)nc2c1CCC2)NCc1sc(c(n1)C(=O)O)C	EMOLS-id_319099672	320.367	BYCWCUFSBGCDTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076945
O=C(Cn1cnc(cc1=O)C(C)C)Nc1onc2c1CSC2	PC-id_121064037	320.367	SODOMQZWKZXMJW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076946
O=C(CNC(=O)NCc1ccco1)Nc1nc2c(s1)CCC2	MCULE-4834760334,EMOLS-id_48219018,PC-id_75416280,ZINC22_56218878	320.367	BJTJYHKQVBTKER-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-076947
O=C(N1CC(C1)N1C(=O)CCC1=O)Cn1ncc2c1CSC2	PC-id_92078554	320.367	VWJUPMYHSJUBHF-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-076948
O=C(N1CCn2c1ccn2)CNc1ccc(cc1)S(=O)(=O)C	EMOLS-id_316617930	320.367	IPCLMTDKOQNJPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076949
O=C(N1CCn2c1ncc2)Cc1cccc(c1)NS(=O)(=O)C	EMOLS-id_320067894,MCULE-8554930810	320.367	URBKAUSJLPMPBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076950
O=C(N1CCn2c1ncc2)Nc1cccc(c1)CS(=O)(=O)C	EMOLS-id_318189326	320.367	UKSNXEBRVUSSBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076951
O=C(N1CCn2c1ncc2)Nc1cc(ccc1C)S(=O)(=O)C	EMOLS-id_319817491	320.367	ZDPPTCYIFMUIIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076952
O=C(Nc1cnn(C2CCC2)c1)c1[nH]cc2c1CCS2(=O)=O	ZINC22_1875295295	320.367	DSDCJOPJJSORBT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-076953
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)Cc1ccccc1	PC-id_68440290,SCHEMBL2917381	320.367	OTRYOXHCJDXJAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076954
OC(=O)Cc1csc(n1)CNC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319220430	320.367	LZPWPCOJCHMQRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076955
OC(=O)CC(c1nccs1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_318770678	320.367	LITTWOJNKDJOMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076956
s1c2CCCc2cc1C(=O)NNC(=O)C1=NN(C(=O)CC1)C	PC-id_27684818	320.367	AUTKXTQJZBHDOZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-076957
s1c2CCCc2nc1NC(=O)c1nn(CCOC)c(=O)cc1	PC-id_33040544	320.367	NYZZDNOLWMFLPO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-076958
s1c2CCC(c2nc1NC(=O)Cn1nccc1)C(=O)OCC	PC-id_49720382	320.367	RUWBULZZYLJXIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076959
s1c(NC(=O)c2n3CCCc3nn2)c(c(c1C)C)C(=O)OC	PC-id_43981356	320.367	BBRFOKLOAQGUHL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-076960
n12nc(nc1sc(=Cc1cccnc1)c2=O)Cc1ccccc1	MCULE-2121247645	320.368	LQFGORAJPCJNEK-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-076961
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)C=Cc1ccccc1	MCULE-6288455548	320.368	SLPGMDFTJSQVBB-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-076962
n12ncnc1sc(=CN(c1ccccc1)c1ccccc1)c2=O	MCULE-6122484169	320.368	QYEUCKGKYJAWMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076963
O=c1/c(=C/N(c2ccccc2)c2ccccc2)/sc2ncnn12	ZINC22_256055729,PC-id_117588274	320.368	QYEUCKGKYJAWMC-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076964
O=c1n2nc(/C=C/c3ccccc3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324916747	320.368	SLPGMDFTJSQVBB-LSHJULRISA-N	00000000110000110001000010000000000000000000000000000000	25-01-076965
CC(=O)Nc1nc(C(=O)N(C)Cc2nnc3n2CCC3)cs1	PC-id_53498837,MCULE-2909263252,ZINC22_48344772,EMOLS-id_35706620	320.37	FDXSGORKDQFVTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076966
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)Cc1cnc(s1)C	PC-id_58441052,SCHEMBL12307475	320.37	VMTFODHNAHMITC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076967
N#Cc1cn(nc1NS(=O)(=O)c1cnc2n1CCC2)C(C)C	EMOLS-id_100963992	320.37	HJLJLOSRMRHZGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076968
N#CCCn1nc(cc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100965711	320.37	VXLHJGJDKWKMIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076969
NC(=O)CCn1ccc(NC(=O)Nc2nc3c(s2)CCC3)n1	ZINC22_527329631	320.37	LRLWSCYJSBVDHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076970
OC(C(F)(F)F)C1CCN(CC1)Cc1sc2c(n1)CCC2	PC-id_109975213	320.374	DLHGJKIWWJHGIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076971
c12CN(Cc1nn(CC(F)F)c2CN(C)C)Cc1ccccc1	EMOLS-id_324353895,MCULE-9449710611	320.38	XHNIWHKYPUQDNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076972
Fc1ccc(cc1CNc1sc2c(n1)CCC2)C1OCCO1	MCULE-6955590725,EMOLS-id_318619200	320.382	HFZKEJOYFQNZBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-076973
O=C(Nc1onc2c1CCC2)CCCSc1ccc(cc1)F	PC-id_16942396,CoCoCo_5123862	320.382	JJSIXASEEBJBEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076974
s1c2CCCc2nc1NC(=O)CCCOc1cc(F)ccc1	PC-id_52717234	320.382	ZZPXMBQDEIGNRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076975
s1c2CCCc2nc1NC(=O)CCCOc1c(F)cccc1	PC-id_52717236	320.382	ZOLUBIOKJPOCTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076976
Fc1ccc(cc1)/C=c/1sc(=Nc2ccccc2)n2c1ccc2	PC-id_141474097	320.383	UQRFDGJUPAORKD-XUIHOTAOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-076977
o1c(CC2CCN(CC2)C(=O)OC(C)(C)C)cc2c1C(=O)NC2	SCHEMBL5250650,PC-id_21078307	320.383	UIGPOUNJBNGGSP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-076978
O=C(c1occ2c1CCC2)N1CCOC(C1)CN1CCOCC1	EMOLS-id_316607094	320.383	XACBRMFMLXWKGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076979
C=C/C=CC(=C/C)C1=NC(=O)c2c1c(O)[nH]c2/C(=C/C=C)/C=CC	PC-id_138577224	320.385	ILCKWWBYBCMNFM-DILUHCKKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-076980
COCCNS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114814369	320.385	MWWFUGMWGUVWNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-076981
COC(=O)c1[nH]c2c(c1)C(CC2)Cc1cccc(c1)c1[nH]ccc1	SCHEMBL2075046,PC-id_59180057	320.385	VFDLUNMAWIFBSH-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-076982
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccco1	MCULE-9694611575,EMOLS-id_328214644	320.385	AYAPDKWYXRBOCE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-076983
Oc1n(c(O)c2c1CN(C2)Cc1ccccc1)Cc1ccccc1	PC-id_53974913	320.385	JUFLAUZAHXKDIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076984
O=Cc1n(c(c2C(CC(c12)(C)C)(C)C#N)C=O)Cc1ccccc1	PC-id_12894313,SCHEMBL11345197	320.385	VNCNNFBSIJWKOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-076985
O=C(CCSc1ccccc1F)NCc1nnc2n1CCC2	ZINC22_54904882,MCULE-4878412369,PC-id_53521459,EMOLS-id_36260951	320.385	PMPDZEUIGQBLCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076986
O=C(CCSc1ccc(F)cc1)NCc1nnc2n1CCC2	EMOLS-id_31878264,MCULE-8202143431,PC-id_51076049,ZINC22_58300029	320.385	CCDXRTVVVDGRAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-076987
c12CN(Cc1cnn2CCO)C(=O)C1CC(=O)N(CC(C)C)C1	MCULE-5505488926,PC-id_56740115,EMOLS-id_36567971	320.387	OVRHLOYFPIFZAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076988
c12CN(Cc1cnn2CCO)C(=O)CCN1CCCCCC1=O	ZINC22_67910230,PC-id_56756794,EMOLS-id_36608710,MCULE-3894920586	320.387	UZIFHPUOAATGNW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-076989
c12CN(Cc1nn(CC1CCCC1)c2C(=O)N(C)C)C(=O)OC	EMOLS-id_324353385,MCULE-8543575503	320.387	QJLURLYBWVPOME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076990
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)NC)C(=O)OC	MCULE-5665942131,EMOLS-id_324352621	320.387	RILNJZSNHXATQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076991
c1(c2CCCc2n[nH]1)C(=O)N1CCCC1(COC)CC(=O)NC	EMOLS-id_171928206,LAS-52310514,MCULE-2316021859	320.387	QUKAHRDLKXSEAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076992
c1(cnn2CCCc12)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C	MCULE-2789195346,EMOLS-id_317876732	320.387	LRDVOOKDAQSYNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076993
c1(C(=O)N2CCCC2(COC)CC(=O)N)c2CCCc2n(C)n1	LAS-52328990,MCULE-5378551917,EMOLS-id_171930087	320.387	MXPFFLWHUAYLJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076994
c1(C(=O)N2C[C@@H]([C@H](CC(=O)NC)C2)OC)c2CCCc2n(C)n1	LAS-52329008,ZINC22_585277538,MCULE-5497990915,EMOLS-id_171930094	320.387	IHWGVEYBABLFNS-MFKMUULPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076995
c1(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)c2CCCc2[nH]n1	EMOLS-id_334772519,MCULE-5537568584	320.387	WBCWHYKKHJZHMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076996
c1(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc2n(CCC2)n1	EMOLS-id_317876988,MCULE-1005247274	320.387	HUEOOOOGVIGUIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076997
c1(C(=O)NC2CCN(CC2)C(=O)OCC)c2CCCc2n(C)n1	MCULE-4518622627,PC-id_110389034,EMOLS-id_179745166	320.387	ZMOMUSFQNNQJDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-076998
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)C2CCCC2)n1	MCULE-9498630197	320.387	QQLKQZRSHLMUON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-076999
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)C2CCCC2)n1	EMOLS-id_316332347,MCULE-4725971961	320.387	QQLKQZRSHLMUON-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077000
Cc1c2n(CCO2)nc1C(=O)N1CCCC(C1)C(=O)NC(C)C	PC-id_91959946	320.387	OTQTZLYVMFJFFF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077001
Cc1c2n(CCO2)nc1C(=O)N1CCC(CC1)C(=O)NC(C)C	PC-id_91959947	320.387	HBBXTMUVFLWACX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077002
CC1CCCCC1NC(=O)Nc1c(n2CCCc2n1)C(=O)OC	PC-id_136560665,EMOLS-id_316970879	320.387	KHWIRHAUIUCFDB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077003
CCC1CCCCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319485032	320.387	DKJJKBBZQKUNGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077004
CCC1CCC(N1C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319349187	320.387	UJMKZQHCHLKCEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077005
CCC1CCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_318966472	320.387	LWIWOZAJNUEBFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077006
CC(C)CN1C[C@@H](C(=O)N2Cc3cnn(CCO)c3C2)CC1=O	PC-id_95191327,ZINC22_67513568	320.387	OVRHLOYFPIFZAQ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077007
CC(C)CN1C[C@H](C(=O)N2Cc3cnn(CCO)c3C2)CC1=O	ZINC22_67513567,PC-id_95191326	320.387	OVRHLOYFPIFZAQ-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077008
CC(CC(=O)N1CCC(CC1)NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_99543908	320.387	PUUUPXKYOWKJBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077009
C[C@@H]1C[C@H](/N=C(/O)[C@H]2CCN2C(=O)OC(C)(C)C)c2nccn12	ZINC22_328597674	320.387	IOYRUOACHLPKIN-GRYCIOLGSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077010
C[C@@H]1C[C@@H](/N=C(/O)[C@H]2CCN2C(=O)OC(C)(C)C)c2nccn12	ZINC22_328597675	320.387	IOYRUOACHLPKIN-IJLUTSLNSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077011
C[C@H]1C[C@@H](NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c2nccn12	ZINC22_390834616	320.387	IOYRUOACHLPKIN-QJPTWQEYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077012
C[C@H]1C[C@H](NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c2nccn12	ZINC22_390834617	320.387	IOYRUOACHLPKIN-SDDRHHMPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077013
CCN(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C1CCCC1	EMOLS-id_319690791	320.387	HXQCOJIBICFMOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077014
CCOC(=O)C1CCCN(C1)CC(=O)N1Cc2c(C1)cnn2C	EMOLS-id_278848733	320.387	NUCCIJKTGWLMSY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077015
CCOC(=O)n1nc2c(c1NC(=O)C1CCCC1)CNC2(C)C	PC-id_58015718,SCHEMBL12879109	320.387	AIOPOOKWATXMCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077016
CNC(=O)C[C@]1(COC)CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_585278130	320.387	QUKAHRDLKXSEAS-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077017
CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_585278134	320.387	QUKAHRDLKXSEAS-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077018
COC1CCCCN(C1=O)CC(=O)Nc1n(C)nc2c1CCC2	MCULE-4933621450,EMOLS-id_316082059	320.387	PDDJDIYANTYAKG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077019
COC1(CC(=O)N2Cc3c(C2)n(C)nc3C(=O)N(C)C)CCC1	ZINC22_1565551563,EMOLS-id_313747921	320.387	PDDYHDDKPACIGN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077020
COC[C@@]1(CC(=O)N)CCCN1C(=O)c1nn(C)c2c1CCC2	ZINC22_585278192	320.387	MXPFFLWHUAYLJF-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077021
COC[C@]1(CC(=O)N)CCCN1C(=O)c1nn(C)c2c1CCC2	ZINC22_585278193	320.387	MXPFFLWHUAYLJF-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077022
CO[C@@H]1CCCCN(CC(=O)Nc2c3c(nn2C)CCC3)C1=O	ZINC22_888076254	320.387	PDDJDIYANTYAKG-CYBMUJFWSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077023
CO[C@H]1CCCCN(CC(=O)Nc2c3c(nn2C)CCC3)C1=O	ZINC22_888076255	320.387	PDDJDIYANTYAKG-ZDUSSCGKSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077024
COC(=O)c1c(NC(=O)N2CC(C2)(CC)CC)nc2n1CCC2	EMOLS-id_319371396	320.387	RFJCXDVYQDBPOO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077025
COC(=O)c1c(NC(=O)N2CC(C2(C)C)(C)C)nc2n1CCC2	EMOLS-id_319799674	320.387	SMQYBAHINACVHL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077026
COC(=O)c1c(NC(=O)N2CCCC2C(C)C)nc2n1CCC2	EMOLS-id_319080812	320.387	HCVZSQMVHAUAJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077027
COC(=O)c1c(NC(=O)N2CCCC(C2C)C)nc2n1CCC2	EMOLS-id_319064020	320.387	ZICDEDLMYMHGLZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077028
COC(=O)c1c(NC(=O)N2C(C)CCC2(C)C)nc2n1CCC2	EMOLS-id_319221313	320.387	KOWIZCRSVWUGDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077029
COC(=O)c1c(NC(=O)N2CCCCC(C2)C)nc2n1CCC2	EMOLS-id_319806458	320.387	ODVAACAPEKSRLY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077030
COC(=O)c1c(NC(=O)N2CCCCCCC2)nc2n1CCC2	EMOLS-id_319043935	320.387	ZQFOIHBAUYNBKR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077031
COC(=O)c1c(NC(=O)NC2CCCC2(C)C)nc2n1CCC2	EMOLS-id_319231964	320.387	NRLINARVLBXIOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077032
COC(=O)c1c(NC(=O)NC2CCCC(C2)C)nc2n1CCC2	EMOLS-id_319159215	320.387	AXDHMOBRAURVTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077033
COC(=O)c1c(NC(=O)NC2(C)CCCCC2)nc2n1CCC2	EMOLS-id_319279124	320.387	SSOLTVJOJQREAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077034
COC(=O)c1c(NC(=O)NC2CCCCCC2)nc2n1CCC2	EMOLS-id_319576894	320.387	RXAAMOYCNXLVFW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077035
COC(=O)c1c(NC(=O)NC(C2CCC2)(C)C)nc2n1CCC2	EMOLS-id_319217168	320.387	DLSQRVJNLJULCN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077036
COC(=O)c1c(NC(=O)N(CC2CCCC2)C)nc2n1CCC2	EMOLS-id_319569334	320.387	CMEBWMNQJCVLNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077037
COC(=O)c1c(NC(=O)NCC2CCCCC2)nc2n1CCC2	EMOLS-id_319706023	320.387	BYSNZAKTWUNKBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077038
COC(=O)c1c(NC(=O)NCC2(C)CCCC2)nc2n1CCC2	EMOLS-id_319874411	320.387	YAMCSLDDHVSUKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077039
COC(=O)c1c(NC(=O)N[C@@H]2CC[C@H](CC2)C)nc2n1CCC2	EMOLS-id_319462534	320.387	QRYXBGNKYAJKTI-XYPYZODXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077040
O=C(c1n[nH]c2c1CCC2)N1CCOC(C1)CN1CCOCC1	MCULE-2914368998,EMOLS-id_319934555	320.387	HHAJQGMSAPERRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077041
O=C(c1n[nH]c2c1CN(C2)CC1CCOCC1)N1CCOCC1	PC-id_97408303	320.387	DTOOEDSXANUKLE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077042
O=C([C@H]1CCN1C(=O)OC(C)(C)C)NC1CC(n2c1ncc2)C	MCULE-6964745801,PC-id_121582398,EMOLS-id_76049879	320.387	IOYRUOACHLPKIN-HTAVTVPLSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077043
O=C(NCCN1CCOCC1)c1nc2CN(CC3CC3)Cc2o1	PC-id_97525768,EMOLS-id_44379838,ZINC22_96266005	320.387	MACYCJAVHOCZTN-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-077044
O=C(N(C(C(=O)N1CCn2c1ncc2)C)C1CC1)OC(C)(C)C	EMOLS-id_279043810	320.387	BFNMJOUXKQIFAP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077045
O=C(N(CC(=O)N1CCn2c1ncc2)CC1CC1)OC(C)(C)C	EMOLS-id_279043886	320.387	HCDVRBYCMPHEFS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077046
s1c2CCCc2cc1C(=O)Nc1sc(cn1)/C=C/C(=O)O	PC-id_61530221	320.387	GRBWYRRUUSQLPU-SNAWJCMRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077047
s1c2CCCc2cc1C(=O)Nc1sc(cn1)C=CC(=O)O	PC-id_76907796	320.387	GRBWYRRUUSQLPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077048
s1c2CCCc2nc1NC(=O)c1cc(sc1)C=CC(=O)O	PC-id_79690974	320.387	QHOCOGPADYOYKB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077049
s1c2CCCc2nc1NC(=O)c1sc(cc1)/C=C/C(=O)O	PC-id_61529432	320.387	JFRWJWVZNFXSTF-FNORWQNLSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077050
s1c2CCCc2nc1NC(=O)c1sccc1/C=C/C(=O)O	PC-id_63799130	320.387	ACGMAJGIGMTPDY-SNAWJCMRSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077051
s1c2CCCc2nc1NC(=O)c1sc(cc1)C=CC(=O)O	PC-id_76907246	320.387	JFRWJWVZNFXSTF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077052
s1c2CCCc2nc1NC(=O)c1sccc1C=CC(=O)O	PC-id_77007413	320.387	ACGMAJGIGMTPDY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077053
c12SCCn1cc(CNc1ncc(c(N3CCCC3)n1)F)n2	PC-id_50963065,MCULE-8536218737,ZINC22_65403772,EMOLS-id_32396460	320.388	REIFZTBPKNCMKK-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-077054
c1ccc(cc1)COc1cnccc1CNC1CCn2c1ncc2	MCULE-9555026211,EMOLS-id_316532066	320.388	RUOBWCKZFQIUOY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-077055
CC1CC(c2n1ncn2)NCc1ccccc1Oc1ccccc1	EMOLS-id_320055501,MCULE-3121243213	320.388	SHEXNFXWCAHVIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077056
Cc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)[nH]n1	EMOLS-id_328222589,MCULE-2261579326	320.388	JOMFYLZVFORFNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077057
CC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2	CHEMBL4574444	320.388	IFEKYQSFTRTHPI-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077058
CN1C(CCS1(=O)=O)CS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_318882241	320.388	YWEZYFJPVDJPSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077059
Cn1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cn1	EMOLS-id_328214395,MCULE-5508799601	320.388	UXYVEOKPQRXLQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077060
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319660159	320.388	SHXHGDGDYBJXSL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077061
N#CC1(CC(C1)NC(=O)c1n(C)nc2c1CCC2)c1ccccc1	EMOLS-id_320243987	320.388	KBEWLYGDXFJIRN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-077062
N#Cc1cccc(c1)C1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320046023,MCULE-2467047374	320.388	QIWAZBZKCXLQFH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-077063
N#CC(C1CCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_318575826	320.388	JIRZQYXIALTASA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077064
O=C(c1ccc(cc1)Cn1cccc1)NCc1cnc2n1CCC2	EMOLS-id_319451865	320.388	YKYBXEWRFWDQAK-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-077065
O=C(c1cccn1Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319426300	320.388	PKDHPZTUIQWUCG-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-077066
O=C(c1cccn1Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320142045,MCULE-3963003299	320.388	USTUOHGZMOAYJX-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-077067
O=C(c1ccn(c1c1ccccc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319750348	320.388	FHLINEFTSWAJNA-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-077068
O=C(c1c[nH]cc1Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319679403	320.388	KMWRWHWPLABRMW-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-077069
O=C(c1c[nH]cc1Cc1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-1132725654,EMOLS-id_320239204	320.388	NHLAYVKTCLWIHR-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-077070
O=S1(=O)CCN(S(=O)(=O)c2cnc3n2CCC3)CCN1	ZINC22_1875318207	320.388	KAOYFXYWSACFOQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077071
s1c2CCCc2cc1C(=O)Nc1c(F)cc(cc1)C(=S)N	PC-id_81653136	320.405	XTQBCEPZSHRRTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077094
CCCN1CCCN(CC1=O)C(=O)NCc1nnc2n1CCC2	EMOLS-id_100039419	320.39	HGJLBBZRNFHPIB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077072
CC(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)N1CCCC1	PC-id_134789368	320.39	NYDBQJIMNMUSFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077073
CCN1CCN(CC1)C(=O)C1CCc2nnc(n12)CNC(=O)C	PC-id_134796655	320.39	VLBUZWCKWNVROC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077074
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)C(=N)N=C(N)C	PC-id_144979428	320.39	VBIFHCYSNQZSOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077075
CCN(C(=O)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)CC	EMOLS-id_320331570,MCULE-5122796912	320.39	XBHKGIQRXJMOEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077076
CN=C(N1CCC(CC1)C(=O)OC)NCc1nnc2n1CCC2	PC-id_119131114	320.39	ROIRJNURMNTYCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077077
COC(=O)C1CN(CC1C)C(=NC)NCc1nnc2n1CCC2	PC-id_109634197	320.39	YPPARCIXYGQDFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077078
O=C(NCCN1CCCCCC1=O)NCc1nnc2n1CCC2	ZINC22_65415738,PC-id_53503210,EMOLS-id_35714034,MCULE-6243337992	320.39	OFTRYCZZTFVOPG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077079
O=C(NNC(=O)c1sc2c(c1)CCC2)NCCn1cc[nH+]c1	GD-id_ZINC43311944	320.39	KHRYUESKBHSCHI-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-077080
s1c2c(CCC2)cc1CNc1nc2sccn2c1[N+](=O)[O-]	PC-id_61208191	320.39	FUEQCMZHQYTUOG-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-077081
s1c2c(CCC2)c(c1NS(=O)(=O)c1ccc(nc1)N)C#N	PC-id_64081762	320.39	SOBAQSMKGADPLA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077082
s1c2c(CCC2)c(c1NS(=O)(=O)c1c(nccc1)N)C#N	PC-id_65427607	320.39	CPGKWBTWVSFQFV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077083
s1c2CCCc2nc1NS(=O)(=O)c1c(cc(N)cc1)C#N	PC-id_61508442	320.39	GFLBYAPBOPDAIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077084
s1c2CCCc2nc1NS(=O)(=O)c1c(N)cc(cc1)C#N	PC-id_64898270	320.39	DLDUNRMDYYTLML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077085
c1(CN(C)c2cc(C)nc(c3cccnc3)n2)[nH]nc2CCCc12	MCULE-5170693796,EMOLS-id_32394830,ZINC22_67803756,PC-id_50962205	320.392	BTJQZKFXTLQBKC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-077086
CN(Cc1n[nH]c2c1CCC2)Cc1cnc(nc1)c1ccccn1	PC-id_77082479,EMOLS-id_49873280,MCULE-9188492963	320.392	AYQKZSHBRKOLBY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-077087
Cn1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_3323675,EMOLS-id_3338649,PC-id_2439151,CoCoCo_2938072,MCULE-4813082891	320.393	MDEYYKUPHNZVIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077088
n1(N)cnnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335774864,MCULE-8366417135	320.393	IQPKWPOFDWGRTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077089
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)N)C#N	PC-id_3558865	320.393	QNQDVGJNIZPEII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077090
s1c2CCCc2cc1C(=O)Nc1cc(c(F)cc1)C(=S)N	PC-id_62316298	320.405	ITBOMAFJRKGKGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077091
s1c2CCCc2cc1C(=O)Nc1c(cc(F)cc1)C(=S)N	PC-id_82016995	320.405	SAKYMQWCRXFBNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077092
c1(c2CCCc2sc1NC(=O)C1CCCO1)C(=O)NC1CC1	TIMTEC112904,EMOLS-id_13329950,MCULE-5728893391,PC-id_17173645	320.407	CXPKOHPREZKOFP-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-077095
CC(c1oc2c(n1)CCO2)CC1COc2c1nc(s2)C(C)C	SCHEMBL19441929	320.407	VAJYFIBFVUELRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077096
CCC(CC)(CC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)O	EMOLS-id_36909501,PC-id_41389603,ZINC22_10168129,MCULE-3309015903	320.407	OEJMQKUYXDCZAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077097
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc2c(s1)CCC2	PC-id_7623679,ZINC22_5308325,CoCoCo_2840807	320.407	HFMKRHFNNIMBHQ-MRXNPFEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077098
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc2c(s1)CCC2	PC-id_7623681,CoCoCo_2840806,ZINC22_5308329	320.407	HFMKRHFNNIMBHQ-INIZCTEOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077099
CC(OC(=O)c1c(C)cn2c1SCC2=CC(=O)NC1CC1)C	PC-id_139819481	320.407	RXRGJYLXZUFTLQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077100
COCCCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	PC-id_56661791,CHEMBL1821912	320.407	VQBSRHUQIVEUOV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-077101
C(=O)(Nc1sc2CCCc2c1C#N)CCCCCCC(=O)O	MCULE-6335867815,EMOLS-id_328168159	320.407	ZXGYCGPKQCCFNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077102
N#CC(C(C)C)(NC(=O)COC(=O)c1sc2c(c1)CCC2)C	MCULE-6105436964,PC-id_16284386,EMOLS-id_3655682	320.407	HFMKRHFNNIMBHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077103
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_1068188,PC-id_42546264,ZINC22_12343618	320.407	CXPKOHPREZKOFP-NSHDSACASA-N	00100010100000000000000010000000000000000000000000000000	25-01-077104
O=C(NC1CC1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	PC-id_42546265,ZINC22_12343619,CoCoCo_1068187	320.407	CXPKOHPREZKOFP-LLVKDONJSA-N	00100010100000000000000010000000000000000000000000000000	25-01-077105
s1c2c(CCC2)c(c1NC(=O)CN(CC=C)CC=C)C(=O)O	PC-id_28866160	320.407	GVIXGQWPQRDMLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077106
s1c2CCCc2c(c1NC(=O)COC(=O)CC(C)(C)C)C#N	PC-id_7950746	320.407	LWNUQTBEJDWNCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077107
c1ccc(cc1)OCC=c1c(=Cc2ccc[nH]2)c2c([nH]1)scc2	PC-id_91023492	320.408	SLWSTXDRCLYWDM-UHFFFAOYSA-N	00000000110000110000000010000000000000000000000000000000	25-01-077108
O=C(c1ccc(c2ccccc2)cc1)Nc1sc2c(CCC2)n1	CoCoCo_4164062,MCULE-8436827509,ZINC22_6598208,PC-id_5115909,EMOLS-id_3696901	320.408	JOEOMJFWKSPCFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077109
c12SCCn1cc(CNC(=O)N(CC)Cc1ccc(C)o1)n2	ZINC22_426515513,PC-id_119066704,MCULE-2901526127,EMOLS-id_82721609	320.41	KSQYLHVPAJFXOT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-077110
c1(NC(=O)C(=O)NCCCN(C)C)sc2c(CCC2)c1C#N	EMOLS-id_4733421,MCULE-5630386603,ZINC22_6661194,STOCK6S-05854,PC-id_8029578,CoCoCo_6533763	320.41	VCCBUHPKNKFGIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077111
c1(sc2c(CCC2)c1C#N)NC(=O)N1CCN(CC1)CCO	EMOLS-id_4734816,ZINC22_20573078,PC-id_8030419,STOCK6S-06763,MCULE-5953370550	320.41	YCTNRWKPYFNCML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077112
CC1CC(c2n1ccn2)NS(=O)(=O)NCCc1ccccc1	EMOLS-id_319021277	320.41	QXXFXZCLYPNEPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077113
Cc1cc(C)c(S(=O)(=O)NCc2nnc3n2CCC3)c(C)c1	ZINC22_48354516,EMOLS-id_35688600,PC-id_53499135,MCULE-7811249597	320.41	BADPFQCTECSIEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077114
Cc1noc([C@@H]2CC[C@H](CNCc3nc4c(s3)CCC4)O2)n1	EMOLS-id_316020548,MCULE-5373201577,ZINC22_623164612	320.41	JVPBNPLTDMLIMC-PWSUYJOCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077115
CC(c1ccc(cc1)CNS(=O)(=O)c1cnc2n1CCC2)N	PC-id_121703080,MCULE-5563176398,EMOLS-id_303013995	320.41	XRIHDQAUMFNXGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077116
CC(c1nnc2n1CCC2)NS(=O)(=O)CCc1ccccc1	EMOLS-id_318123325	320.41	JRWDRBOLHGCWKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077117
CCc1onc(c1NC(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102005811	320.41	UAJZHDCUKJUJHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077118
CC(c1scc(n1)C(C)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99591563	320.41	SCUUUAVBIJSIEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077119
CC(C)c1noc(CCCC(=O)Nc2nc3c(s2)CCC3)n1	PC-id_51079211,EMOLS-id_33305621,MCULE-2191991435,ZINC22_41690721	320.41	VXLLZIJEAQHZJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077120
CC(C)(C)c1nnc(C(=O)NCCc2nc3c(s2)CCC3)o1	ZINC22_902970089,EMOLS-id_316941567,MCULE-8048762578	320.41	MOFPVOUTLIIGLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077121
CC(C)(C)c1noc(CCC(=O)Nc2nc3c(s2)CCC3)n1	MCULE-9916795232,ZINC22_31282932,EMOLS-id_31924432,CoCoCo_4870516,PC-id_38493229	320.41	CJMBIGHYKMEPQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077122
CCN(S(=O)(=O)N1Cc2c(C1)cnn2C)Cc1ccccc1	MCULE-2037097538,EMOLS-id_316472170	320.41	RUOZZGSMWLZMHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077123
CN(Cc1nnc2CC(Cc3ccccc3)Cn12)S(=O)(=O)C	MCULE-2857304957,EMOLS-id_323885467,PC-id_139599600	320.41	BKBHXZWINFGBAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077124
CN(Cc1nnc2n1C[C@H](Cc1ccccc1)C2)S(=O)(=O)C	ZINC22_1800413133	320.41	BKBHXZWINFGBAF-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077125
CN(Cc1nnc2n1C[C@@H](Cc1ccccc1)C2)S(=O)(=O)C	ZINC22_1800413134	320.41	BKBHXZWINFGBAF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077126
CN(Cc1n[nH]c2c1CCC2)S(=O)(=O)NCc1ccccc1	MCULE-9573852124,PC-id_56901255,EMOLS-id_43133785,ZINC22_72144795	320.41	DCHOBQPJKULCQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077127
CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2nc3c(s2)CCC3)C1	MCULE-5832921091,EMOLS-id_316037951,ZINC22_328621736	320.41	ARYNBQKNVGKFQB-CMPLNLGQSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077128
COC(=O)c1cc(CN(C)Cc2nnc3n2CCC3)c(C)s1	MCULE-4452178469,EMOLS-id_48256189,ZINC22_89140510,PC-id_75378952	320.41	IFSDZJKMBHTLDP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077129
n1c2CCCc2sc1CCNC(=O)CCC1=NNC(=O)CC1	MCULE-5191228590,EMOLS-id_55639208,PC-id_91833715,ZINC22_244678708	320.41	IIRQNSFIFTWCFK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-077130
NCCN(S(=O)(=O)c1cnc2n1CCC2)Cc1ccccc1	PC-id_121705392	320.41	VVIMTPKCTXKISV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077131
O=C1N[C@H](C)C(=C(N1)C)C(=O)NCCc1sc2c(n1)CCC2	PC-id_95190643	320.41	WDMKLECWVLRSAA-MRVPVSSYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-077132
O=C1N[C@@H](C)C(=C(N1)C)C(=O)NCCc1sc2c(n1)CCC2	PC-id_95190644	320.41	WDMKLECWVLRSAA-QMMMGPOBSA-N	00000010100011000001000010000000000000000000000000000000	25-01-077133
O=C(C1CSCN1C(=O)c1n[nH]c2c1CCC2)N1CCCC1	EMOLS-id_110825465	320.41	ACWLULTVDIGFDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077134
O=C(C1CSCN1C(=O)c1n[nH]c2c1CCC2)N(C1CC1)C	EMOLS-id_110825685	320.41	WTUXTCCYOMJHDC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077135
O=C(CCn1c(=O)sc(c1C)C)NCc1cnc2n1CCC2	MCULE-2105589643,EMOLS-id_319953379	320.41	YJBUYEUZBBCVFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077136
O=C(N1CC(=O)N(C1)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008814	320.41	OYONXRLNODYZSB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-077137
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1c(C)noc1C	EMOLS-id_102000174	320.41	FCNNNSUSINTFFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077138
O=S(=O)(c1[nH]c2c(n1)CCC2)Cc1ccn(n1)C1CCCC1	EMOLS-id_318402268	320.41	PUIQHCWHFQVMTQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077139
s1c2CCCc2nc1CCNC(=O)C1=C(NC(=O)NC1C)C	PC-id_56702386	320.41	WDMKLECWVLRSAA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-077140
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(ccc(c1)C)C	PC-id_16588360	320.41	WCPOLNFMRUEUII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077141
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1cc(c(cc1)C)C	PC-id_16588361	320.41	FUWVJIHKTCXXQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077142
c1(CN(C)C(=O)CSc2[nH]nc(CC)n2)[nH]nc2CCCc12	PC-id_50960658,EMOLS-id_32223882,ZINC22_55168900,MCULE-4599586812	320.413	MYRRUEBULSRZKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077143
c1(NC(=O)NCCc2sc3c(CCC3)n2)cn(nn1)CCC	MCULE-8459527103,PC-id_118787556,EMOLS-id_68925142,ZINC22_299793624	320.413	JURSRZLJGBJVHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077144
Cc1nc(CCNC(=O)N(C)Cc2nnc3n2CCC3)cs1	PC-id_71893415,EMOLS-id_45753868,MCULE-7266410541,ZINC22_89709088	320.413	LAFVQMNSZNUADK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077145
CC(C)n1nc(CN(C)C)c2c1CN(C(=O)c1csnn1)C2	EMOLS-id_313733335,ZINC22_1565553716	320.413	CEKQFAMHXCOREL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077146
C(=N)(N)NCCCC(N)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328096022,MCULE-3348331723	320.413	WTXVTQMSPJFKKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077147
O=C(c1nnn(c1)C(C)(C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_100345329	320.413	LWSUJQGCVAYNCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077148
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ncc(s1)C(C)(C)C	EMOLS-id_319768690	320.413	KXKXYCOBTLAGIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077149
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1sc(c(n1)C(C)C)C	EMOLS-id_319221420	320.413	LZWKGDPTJRZBSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077150
O=C(NC1CC(n2c1ncc2)C)Nc1nnc(s1)C(C)(C)C	EMOLS-id_101390662	320.413	BLNOWRCVOTZXIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077151
O=C(NC1CC(n2c1ncc2)C)Nc1snc(n1)C(C)(C)C	EMOLS-id_101383930	320.413	RHPMHRDSXQAKQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077152
O=C(N(Cc1cnc(s1)C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318561802	320.413	XLPHEHWKKRHMHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077153
O=C(NC(c1ncn(n1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007251	320.413	CQWZTDHGXUJNBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077154
O=C(NC(c1ncnn1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007278	320.413	VOHKGTVOOXWETL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077155
O=C(N(Cc1nncn1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009090	320.413	FVUZYJPXTGSUQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077156
O=C(NC(c1nnc([nH]1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009057,MCULE-1953148866	320.413	QKHLJGPWAXVJEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077157
CCCNC(c1sc2c(n1)CCC2)(CCCC(F)(F)F)C	PC-id_116535745	320.417	UDDIQGSKNMFXKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077158
CC(NC(c1sc2c(n1)CCC2)(CCCC(F)(F)F)C)C	PC-id_116535750	320.417	LLTUPMIDGWJOQD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077159
Fc1ccc(cc1)C(C(NC(c1sc2c(n1)CCC2)C)C)O	PC-id_109908770	320.425	FTASEVLUQFXTRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077160
Fc1ccc(cc1)C(CNC(c1sc2c(n1)CCC2)C)(O)C	PC-id_110017324	320.425	ZQFQRUAWSUJSJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077161
COc1ccc(cc1)CSC1(Cc2c(C1)csc2)C(=O)O	PC-id_15814416,SCHEMBL7825219	320.426	NSZYSRNKVYBSKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077162
COc1ccc(cc1)CSC1Cc2c(C1)csc2C(=O)O	PC-id_67753446,SCHEMBL9030879	320.426	PGEUUBPEJFGECG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077163
OC(=O)CCC1CCc2c1sc(c2C(=O)c1cccs1)C	SCHEMBL10742465,PC-id_20213626	320.426	UPDBTEBHEWDVOK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077164
s1c2CCCc2cc1C(=O)OCC(=O)c1c(sc(c1)C)C	PC-id_8948173	320.426	BITFOJHPGFWFHK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077165
OCC1(NCC(C)C)CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_316695751	320.427	MNAUNGNXMIFIRY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077166
C=CCN(CC=C)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328335772,MCULE-4172960514	320.428	JHWAMOCYSZYXIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077167
c12CN(Cc1nn(CC1CC1)c2CN(C)C)C(=O)OC(C)(C)C	MCULE-5297373637,EMOLS-id_324350311	320.43	GJLOBARIURQIJE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077168
c12CN(Cc1nn(CC1CCCC1)c2CN(C)C)C(=O)OCC	MCULE-4415573886,EMOLS-id_324352358	320.43	FUBIQYSIESWYTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077169
c12CN(Cc1nn(CC1CCCC1)c2CN)C(=O)OC(C)(C)C	MCULE-5850372744,EMOLS-id_324348271	320.43	AUPGHWIFCJHWRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077170
c12CN(Cc1nn(CC1CCCCC1)c2CNC)C(=O)OCC	EMOLS-id_324353378,MCULE-8828048328	320.43	JHJXPIJPJVFSEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077171
c1(NC(=O)c2csc(C)c2C)sc2c(CCC2)c1C(=O)N	TIMTEC236614,ZINC22_13327477,MCULE-9505803904,PC-id_17173183,EMOLS-id_13330944,CoCoCo_1071609	320.43	JFZIADMRKQXRAB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077172
c1(NC(=O)c2sccc2C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331613,MCULE-1412064362	320.43	LZDQCCWYTRBHHO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077173
c1(NC(=O)Cc2cccs2)sc2c(CCC2)c1C(=O)NC	MCULE-8680272999,EMOLS-id_334328796	320.43	DIOACRLWYBSBQT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077174
c1(onc2CSCc12)NC(=O)C1(CCCC1)c1cccs1	MCULE-4289228125,ZINC22_38679829,PC-id_45505347,EMOLS-id_32182940	320.43	JHWGBJRGRBFZAG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-077175
CC1OC(C)CN(C1)C(CNC(=O)c1cnn2c1CCC2)(C)C	EMOLS-id_101206791	320.43	VUIYTKZXVZEXDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077176
CC1OC(C)CN(C1)C(CNC(=O)c1nn2c(c1)CCC2)(C)C	EMOLS-id_101206782	320.43	ZBEIINOVFZLCEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077177
Cc1sc2c(n1)CN(C2)S(=O)(=O)c1cccc(c1)C1CC1	MCULE-4886143874,EMOLS-id_320012326	320.43	GNHBCSLBVDYUGB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-077178
CC(CC1OCCC(C1)NC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101371453	320.43	KAADWRBJXPAWTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077179
CC(CC1OCCCC1NC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101374384	320.43	FCTLBEHAEVYACM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077180
CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	PC-id_95343990,ZINC22_69947203	320.43	WOCNHDZQSVABTI-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077181
CC(C)(C)[C@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_69947202,PC-id_95343989	320.43	WOCNHDZQSVABTI-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077182
CC(C[C@@H](C(=O)N1Cc2c(C1)cnn2C)NC(=O)C(C)(C)C)C	EMOLS-id_318269265	320.43	UDHJZGDDEAHDCW-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077183
CCCOC1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579307	320.43	PTDFBCZEZULJIC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077184
CCN(C1CCOC(C1)(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574732	320.43	MGDSJVWIXONRQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077185
CCOC1CC(C1(C)C)N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579112	320.43	OMNVLMVETJXMJS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077186
CC(=O)c1ccc(C(=O)NCCc2nc3c(s2)CCC3)s1	MCULE-9441353523,ZINC22_223205384,PC-id_91790763,EMOLS-id_55691099	320.43	CBWMKPKRDCOIBT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077187
CCS(=O)c1ccccc1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318615591	320.43	NNPIBTLWHUXSDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077188
CN(C(CN1CCCCCC1)(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99774702	320.43	WDPXZXNGFWTKJM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077189
CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2	PC-id_692963,MCULE-5861140694,CoCoCo_81830,ZINC22_64696	320.43	KIUKOPAZCRIVFC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077190
CN(C(=O)c1n[nH]c2c1CCC2)CC(CN1CCOCC1)(C)C	EMOLS-id_97766312	320.43	OJXOYXSQJWUSKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077191
COC1(C)CC(C1(C)C)N(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579139	320.43	OQRBBYCQACWKLG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077192
COC1(CCC(CC1)C)CNC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101383201	320.43	VDJKIECWQXDHGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077193
COc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCC2	MCULE-3548596015,CoCoCo_4164047,ZINC22_6229857,EMOLS-id_11900286,PC-id_4280779	320.43	JCIAGMVFNKEAGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077194
COCCNC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109997	320.43	SKLOMUFSFAQEDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077195
COCC(=O)N1Cc2c(CN3CCCCC3)nn(C(C)C)c2C1	ZINC22_2055718363,EMOLS-id_313735893	320.43	JIKDXULWEFNKHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077196
N#Cc1c(sc2c1CCC2)NC(=O)[C@H]([N@@H+]1CCC[C@@H](C1)O)C	GD-id_ZINC42286986	320.43	FMKPSLBTVHLUFG-MNOVXSKESA-O	00000010100010000000000010000000000000000000000000000000	25-01-077197
OCC1(CCCN1C(=O)NC1CC(n2c1ncc2)C)CC(C)C	EMOLS-id_101574921	320.43	PFLCDABBBOFNSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077198
OCC1(CCCN(C1)C(=O)NC1CC(n2c1ncc2)C)C(C)C	EMOLS-id_101572902	320.43	BXSJUKWRHSMPEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077199
OCC1(NCC(C)C)CCN(CC1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_278980690	320.43	BBHYHZFKUUXUED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077200
OCC1(NCC(C)C)CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_316577694	320.43	KRBACXNLCMIDIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077201
OCC1(NCC(C)C)CCN(CC1)C(=O)c1cnn2c1CCC2	MCULE-5322577962,EMOLS-id_319892346	320.43	NHVSXIJKOHKRGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077202
OCC1(NCC(C)C)CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316718269	320.43	ZSJYWEUWBLUXMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077203
OCC(C1CCCCC1)(NC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101577132	320.43	QNGPBWSXYAYFAX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077204
OC(C(C)(C)C)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	MCULE-4589906782,PC-id_53618982,EMOLS-id_36685217	320.43	WOCNHDZQSVABTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077205
O=C(N1C(c2[nH]nc(NC(=O)CC(C)C)c2C1)(C)C)C(C)(C)C	PC-id_10426173	320.43	NLQKJGQLUYSPJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077206
O=C(NC1CC(n2c1ncc2)C)NC1CC(C1(C)C)OC(C)C	EMOLS-id_101381140	320.43	BGWGDJPSNYQHOM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077207
O=C(NC1CC(n2c1ncc2)C)NC1CCOC(C1)C(C)(C)C	EMOLS-id_101369857	320.43	LFPDVROHJAPGAR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077208
O=C(NC1CC(n2c1ncc2)C)NCC1CCCOC1C(C)C	EMOLS-id_101366776	320.43	GDVUXNPMJPMEIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077209
O=C(NC1CC(n2c1ncc2)C)NCC1CCOC(C1)C(C)C	EMOLS-id_101427564	320.43	SKDCEDPMXSBASA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077210
O=C(NC1CC(n2c1ncc2)C)NCC(C1(O)CCCC1)(C)C	EMOLS-id_101572818	320.43	MHGCBIUKBHUNGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077211
O=C(N(CC1(O)CCCCCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101576895	320.43	IRIUIFPSFZVNIK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077212
OC(=O)C1CCc2c1nc(s2)N(C1CC1)Cc1cccs1	PC-id_104288482	320.43	URBOLYLFCPDOIP-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-077213
OC(=O)C1CCc2c1nc(s2)N(C1CC1)Cc1cscc1	PC-id_104288247	320.43	ROLKLRYBYGIZIC-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-077214
s1c2CCCc2cc1C(=O)NNC(=O)c1c(sc(c1)C)C	PC-id_24487357	320.43	VFHWPZKAMIVUHX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077215
s1c2CCCc2cc1C(=O)NNC(=O)c1sc(CC)cc1	PC-id_51255128	320.43	JRRRDIIWPWUTQM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077216
s1c2CCCc2cc1C(=O)NNC(=O)CCc1ccsc1	PC-id_29763793	320.43	IEPWMWOSCJOZPR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077217
s1c2CCCc2cc1C(=O)NNC(=O)CCc1sccc1	PC-id_24540836	320.43	CDHKOINLKVWCEZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077218
Clc1cc(C(=O)Nc2sc3CCCc3c2C#N)c(F)cc1	PC-id_60674824	320.769	DGPHTQKMZMVKIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077305
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@H](C1)C)C)C#N	PC-id_2325369	320.43	CWBFRVBTNAEFHJ-PHIMTYICSA-O	00000010100010000001000010000000000000000000000000000000	25-01-077219
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@@H](C1)C)C)C#N	PC-id_2325371	320.43	CWBFRVBTNAEFHJ-GHMZBOCLSA-O	00000010100010000001000010000000000000000000000000000000	25-01-077220
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@H](C1)C)C)C#N	PC-id_2325373	320.43	CWBFRVBTNAEFHJ-QWRGUYRKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-077221
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(OC(C1)C)C)C#N	PC-id_78267665	320.43	CWBFRVBTNAEFHJ-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-077222
s1c2CCCc2nc1NC(=O)CCC(=O)c1sc(cc1)C	PC-id_33039996	320.43	NRTQZTVXFOYLAU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077223
c12CN(Cc1nn(CC1CCCCC1)c2C#N)Cc1ccccc1	MCULE-7672477446,EMOLS-id_324356714	320.431	ISOSUEMXZIUERY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-077224
c1(c(C)nc(NC2CC2)s1)C(=O)Nc1sc2c(CCC2)n1	MCULE-6816850507,EMOLS-id_323448181	320.433	WWQVQIXSJLAZQT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077225
c1(CN2CCN(CC2)C(C)C(=O)NC(C)C)nnc2CCCn12	MCULE-5167460932,EMOLS-id_337182642	320.433	MXFHRDOODQXTOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077226
Cc1cc(C)nc(SCC(=O)Nc2nc3c(s2)CCC3)n1	PC-id_956895,MCULE-2564393404,ZINC22_563572,EMOLS-id_48206581	320.433	JUVMTNRFZKQVGV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-077227
CC(CN1CCCC1)CNC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_98764272	320.433	MTCBGMCTPNBOPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077228
CC(C)NC(=O)[C@@H](C)N1CCN(Cc2nnc3n2CCC3)CC1	ZINC22_2087023437	320.433	MXFHRDOODQXTOE-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077229
CC(C)NC(=O)[C@H](C)N1CCN(Cc2nnc3n2CCC3)CC1	ZINC22_2087023438	320.433	MXFHRDOODQXTOE-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077230
CCCNC(=O)CN1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_258181683,MCULE-8014744129	320.433	IHVQNKVYQNQATK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077231
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2N)(C)C	PC-id_59333943,SCHEMBL3327646	320.433	CMQFBSLGIBJGER-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-077232
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1C)c(nn2C)N)(C)C	PC-id_140670865	320.433	PEYCGWICVUKXNX-VUWPPUDQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077233
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2N	PC-id_59333925,SCHEMBL597530	320.433	FOJSAPPYMCJLFW-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-077234
CCNC(=NCc1nnc2n1CCC2)NC1CC(C1(C)C)OC	PC-id_120049773	320.433	PWHSMEOFOASSOV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077235
CCNC(=NCc1nnc2n1CCC2)NCCCOCC1CC1	PC-id_111020509	320.433	QEVIUXJRUJTGLE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077236
CCNC(=NCc1nnc2n1CCC2)N(CCOCC1CC1)C	PC-id_109652083	320.433	NVLMJZOVKQEFLK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077237
CN(Cc1nnc2n1CCC2)C(=O)NCCN1CCCCCC1	MCULE-7894564664,PC-id_145885048,EMOLS-id_320329179,ZINC22_1875390188	320.433	HDXLHNKFSGMIBO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077238
CN=C(N(CCC1CCOCC1)C)NCc1nnc2n1CCC2	PC-id_109718291	320.433	GKVNSVXCTXJGPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077239
COCCC1(CCC1)CNC(=NC)NCc1nnc2n1CCC2	PC-id_109792392	320.433	XYEULRLTHQBPQI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077240
O=C(C1CCCN1c1nccs1)Nc1sc2c(n1)CCC2	PC-id_75466696,MCULE-6455702584,EMOLS-id_48772857	320.433	QSYDNZKVMARTII-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077241
O=C(C1CCCN1CCCNC1CC(n2c1ncn2)C)N(C)C	MCULE-9168131811,EMOLS-id_258182127	320.433	HQARDFQDELKFOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077242
O=C(c1csc(n1)C1CC1)NCCc1nc2n(c1)CCS2	EMOLS-id_99842558	320.433	FOUBZEWAFXECMS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-077243
O=C(c1snnc1C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183522	320.433	XXBLVAJIJCHMLE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-077244
O=C(N1C(CN(C(C1)C)CC)C)N1C(c2[nH]nc(N)c2C1)(C)C	PC-id_72257724	320.433	FOJSAPPYMCJLFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077245
O=C(N1CC(N(CC1C)C)(C)C)N1C(c2[nH]nc(N)c2C1)(C)C	PC-id_72257733	320.433	CMQFBSLGIBJGER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077246
O=C(N1CCN(CC1)CC)NC(c1n2CCCc2nn1)C(C)C	PC-id_60276672	320.433	BGOYZTUCSKAGLO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077247
O=C(N1CCSCC1c1nccs1)c1nn2c(c1)CCC2	EMOLS-id_101345451	320.433	OXSUMYDBUSQCCE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077248
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN1c1nccs1	PC-id_97311414,ZINC22_95949143	320.433	QSYDNZKVMARTII-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077249
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN1c1nccs1	ZINC22_95949144,PC-id_97311415	320.433	QSYDNZKVMARTII-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-077250
O=C(NC(c1nnc2n1CCC2)C)NC1CCN(CC1)C(C)C	EMOLS-id_110758379	320.433	YLGHOSJGXCRKIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077251
O=C(NCCCNC1CCCCC1)NCc1n2CCCc2nn1	PC-id_52184286	320.433	QCYNCHCTVBFUJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077252
O=C(NCCN(C1CC1)C(C)C)NCCc1n2CCCc2nn1	EMOLS-id_48254499,PC-id_75378336,MCULE-9088237568	320.433	VBKQFSDGHZDWBY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077253
FCC(CS(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C)(C)C	EMOLS-id_318813261	320.446	VTKMSEYFBBETHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077254
c1(cc2c(CCC2)s1)C(=O)N1CCC(O)(CN2CCCC2)C1	PC-id_110108812,MCULE-8710028761,BDE-32165317,EMOLS-id_251425	320.45	DMCGZAHCRJNEHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077255
c1(NC(=O)CC2CCCCC2)sc2c(CCC2)c1C(=O)NC	MCULE-2463472670,EMOLS-id_334329042	320.45	NEDOJNHMJFBWIZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077256
c1(NC(=O)CCC2CCCCC2)sc2c(CCC2)c1C(=O)N	ZINC22_28225470,MCULE-8192841514,EMOLS-id_15293276,PC-id_35523676,CoCoCo_6452803	320.45	XCLPIWQKLIMNJF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077257
Cc1oc(c(c1)C(CNC(c1sc2c(n1)CCC2)C)(O)C)C	PC-id_109908787	320.45	ZMMKRLFPSCRRIQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-077258
CCCCCCN(c1sc2c(c1C#N)CCC2)CCC(=O)O	PC-id_95507842	320.45	GZEYKIOJMLHNEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077259
CCCCCN(c1sc2c(c1C#N)CCC2)CC(C(=O)O)C	PC-id_112479454	320.45	IBPQMBQPTSYUSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077260
CCCNC(=O)C1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_35748689,MCULE-5652905536,PC-id_53539304	320.45	VKSZHNVGFARJMR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077261
CCCNC(=O)C1CCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC22_42712966,EMOLS-id_36628457,PC-id_53536781,MCULE-9684763740	320.45	YXPIFLXDQQUJCK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077262
CCCNC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_65150956,PC-id_95095001	320.45	VKSZHNVGFARJMR-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077263
CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_65474630,PC-id_95138868	320.45	VKSZHNVGFARJMR-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077264
COc1c(sc2c1CCC2)C(=O)NC1CCN(CC1)CC=C	PC-id_91956520	320.45	SAMGZMVJUPVAQC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077265
N#Cc1c(sc2c1CCC2)N(CC(C(=O)O)C)CCC(C)C	PC-id_112479533	320.45	HQWREVMHNQVOFF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077266
O=C(c1cc2c(s1)CCC2)N1CC[C@](O)(CN2CCCC2)C1	ZINC22_257220778	320.45	DMCGZAHCRJNEHG-KRWDZBQOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077267
O=C(c1cc2c(s1)CCC2)N1CC[C@@](O)(CN2CCCC2)C1	ZINC22_257220779	320.45	DMCGZAHCRJNEHG-QGZVFWFLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077268
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)C(=O)C(C)(C)C	PC-id_86927068	320.45	OTOLAFJTYWMXDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077269
O=C(NNC(=O)c1sc2c(c1)CCC2)CCC1CCCCC1	CoCoCo_3440034,MCULE-2668992506,EMOLS-id_16671317,PC-id_25641449	320.45	DTMIJIJVQAUSRS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077270
NC(c1ccc(cc1)c1ccccc1)Cc1sc2c(n1)CCC2	PC-id_112457134	320.451	BERKCKYJRGCCOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077271
s1cc2N(CN(c2c1)Cc1ccccc1)C(c1ccccc1)C	PC-id_76488651	320.451	MUFOMKIDWZGKBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077272
s1cc2N(CN(c2c1)Cc1ccccc1)[C@H](c1ccccc1)C	PC-id_57181271	320.451	MUFOMKIDWZGKBO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077273
c12SCCn1cc(CNC1CCC(=O)N(CC3CC3)CC1)n2	MCULE-2425407001,EMOLS-id_290005887	320.453	IOMKFKIRVUUJFS-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-077274
CN1CCC(=CC1)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005712	320.453	LVKFYLGOOKTKMV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-077275
CSC1CN(CC1N1CCCC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111111501	320.453	WLSKCUKYVUPDBK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077276
O=C1CC[C@@H](NCc2cn3c(n2)SCC3)CCN1CC1CC1	ZINC22_952971083	320.453	IOMKFKIRVUUJFS-CYBMUJFWSA-N	00100010100000000101000010000000000000000000000000000000	25-01-077277
O=C1CC[C@H](NCc2cn3c(n2)SCC3)CCN1CC1CC1	ZINC22_952971091	320.453	IOMKFKIRVUUJFS-ZDUSSCGKSA-N	00100010100000000101000010000000000000000000000000000000	25-01-077278
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)CC)C#N	PC-id_3555525	320.453	ZQANQZLXKMYHOU-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-077279
c1csc(c1)C1OCCC(C1)NCc1sc2c(n1)CCC2	EMOLS-id_318182771,MCULE-8182960169	320.473	FLJAAXIGRJGNRX-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-077280
c1csc(c1)[C@@H]1OCC[C@H](C1)NCc1sc2c(n1)CCC2	MCULE-6355734472,EMOLS-id_320182417	320.473	FLJAAXIGRJGNRX-DGCLKSJQSA-N	00000010100110000001100010000000000000000000000000000000	25-01-077281
CC(N1Cc2c(C1)cc(s2)C(=O)NCCc1cccs1)C	PC-id_53171029	320.473	COYRZZZMGPOKGP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077282
CN(C)[C@@H](CNC(=O)c1cc2c(s1)CCC2)c1ccsc1	ZINC22_25812843	320.473	RLWXSBFAWQPISR-ZDUSSCGKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077283
CN(C)[C@H](CNC(=O)c1cc2c(s1)CCC2)c1ccsc1	ZINC22_25812847	320.473	RLWXSBFAWQPISR-CYBMUJFWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077284
O=C(c1sc2c(c1)CCC2)NCC(c1cccs1)N(C)C	PC-id_86977690	320.473	USWRSHUQXKQEJZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077285
O=C(c1sc2c(c1)CCC2)NCC(c1ccsc1)N(C)C	EMOLS-id_36265653,MCULE-4605343531,PC-id_53524705	320.473	RLWXSBFAWQPISR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077286
s1c2c(CCC2)c(c1NC(=O)CC[NH+](CCC)CCC)C#N	PC-id_52759006	320.473	HQHFFTHMWKAELX-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-077287
c1csc(n1)N1CCC(CC1)NCc1sc2c(n1)CCC2	MCULE-4313983862,EMOLS-id_318141181	320.476	IPQXNMVXTGYGJO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077288
CCCCCCCCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020487	320.476	MQIPDNFTNJJZNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077289
CCCCCCC(NC(=NCc1nnc2n1CCC2)NCC)C	PC-id_111212459	320.476	AJBACACKLOXFBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077290
CCCCCC(CNC(=NC)NCc1nnc2n1CCC2)(C)C	PC-id_109583131	320.476	RQGJIAPHQWIPJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077291
CCCCC(CNC(=NCc1nnc2n1CCC2)NCC)CC	PC-id_111020177	320.476	FBFDDIRQSAEASZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077292
CCNC(=NCc1nnc2n1CCC2)NC(CCC(C)(C)C)C	PC-id_109501837	320.476	GBZJXTCCYNTUSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077293
CCNC(=NCc1nnc2n1CCC2)NC(CCCC(C)C)C	PC-id_111173429	320.476	UHYMOFGFEAJJBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077294
Cn1ncc(c1)C1CSCCN1Cc1sc2c(n1)CCC2	EMOLS-id_318088225	320.476	KXEKDBUMMMGTRU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077295
CN=C(NCc1nnc2n1CCC2)NCCCCCCC(C)C	PC-id_111020251	320.476	NBRSNPBIBDXYFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077296
CC(C)N(C)CC1CCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_44500440,ZINC22_60395436,MCULE-5109983129,PC-id_71938198	320.493	QDJHCYSRLWTKJO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077297
C1CCC(CC1)(CNC1CCn2c1ncc2)N1CCSCC1	MCULE-5812466505,EMOLS-id_318361910	320.496	GYUNOJDLVPUDEA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077298
CC1CC(c2n1ccn2)NCC1(CCCC1)N1CCSCC1	EMOLS-id_318100624,MCULE-2352427608	320.496	NPYIUSZOOKJGDK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077299
CCCNC(c1sc2c(c1)CCC2)Cc1sc(c(n1)C)C	PC-id_105019676	320.516	AEULVZPCYISCFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077300
CNC(c1sc2c(c1)CCC2)Cc1scc(n1)C(C)(C)C	PC-id_105015826	320.516	ZYKYLQBVARIGEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077301
s1c2CCCc2nc1C(NCC)c1sc(C(C)(C)C)cc1	PC-id_81634587	320.516	KRNVELDMXYOXEU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077302
C1Cc2nnc(n2C1C(=O)O)CNC(=O)c1cc(ccc1)Cl	PC-id_134790706	320.731	WCJOUAZYMOFJRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077303
c1(NC(=O)c2c(cccc2F)Cl)sc2c(CCC2)c1C#N	MCULE-3772894837,EMOLS-id_322627652	320.769	MQCIXNANJGXBNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077304
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2Cl)OC)n1	MCULE-7715401517,EMOLS-id_330984191	320.771	MMJNYBAOVXWIPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077306
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2OC)Cl)n1	MCULE-7032673297,EMOLS-id_330987507	320.771	IIZHTCAKBAXUAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077307
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)OC)n1	EMOLS-id_330983935,MCULE-6623512125	320.771	BXDPVJZXZYXUMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077308
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(OC)c2)Cl)n1	EMOLS-id_330987251,MCULE-5847003133	320.771	MGWREQUMJVYGRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077309
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1Cl)OC	EMOLS-id_330967227,MCULE-5712430556	320.771	WNIMGLHNPVLZRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077310
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1OC)Cl	MCULE-7571360979,EMOLS-id_330966463	320.771	KQEKMPWXBIHOCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077311
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)OC	EMOLS-id_330966971,MCULE-8133723314	320.771	FDIPNEMRUBXLRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077312
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)Cl	EMOLS-id_330966207,MCULE-2393175984	320.771	IROFMUUHYOAJSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077313
CCCC1(C=CC=N1)C(=O)c1c(Cl)cc2n1CCC2C(=O)O	SCHEMBL11282304,PC-id_20528146	320.771	ATAIKANZPRIQPN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-077314
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc([nH]1)Cl)C	SCHEMBL10846250,PC-id_70455414	320.771	AEWBUPFHYOTMNZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-077315
Clc1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)[O-])cc1	PC-id_7407952	320.771	QEECFVCLPVGLCD-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-077316
Clc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)[O-])ccc1	PC-id_4293692	320.771	QKYJCICPUCVLKV-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-077317
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)[O-])cccc1	PC-id_4599394	320.771	MHALOUDQCZKXIR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-077318
C[C@H](NC(=O)COc1ccccc1Cl)c1nnc2n1CCC2	PC-id_95177648,ZINC22_66966493	320.774	DNLPWPZZJUSHBI-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-077319
C[C@@H](NC(=O)COc1ccccc1Cl)c1nnc2n1CCC2	PC-id_95177649,ZINC22_66966497	320.774	DNLPWPZZJUSHBI-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077320
C[C@H](Oc1ccccc1Cl)C(=O)NCc1nnc2n1CCC2	ZINC22_40498466,CoCoCo_4775918,PC-id_93610809	320.774	LHOJWQOEHFITPU-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-077321
C[C@@H](Oc1ccccc1Cl)C(=O)NCc1nnc2n1CCC2	ZINC22_40498467,CoCoCo_4775917,PC-id_93610810	320.774	LHOJWQOEHFITPU-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077322
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC2	ZINC22_36398151,CoCoCo_4560487,PC-id_51729312	320.774	BQTAZECHQUJSJF-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-077323
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC2	ZINC22_36398152,CoCoCo_4560488,PC-id_51729313	320.774	BQTAZECHQUJSJF-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077324
CCOc1ccc(Cl)c(C(=O)Nc2c3c(nn2C)CCC3)n1	ZINC22_65855669,PC-id_71936288,MCULE-4911363118,EMOLS-id_44503806	320.774	CYQMNYAPGTYNJM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077325
CCOc1ncc(cc1Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319362714	320.774	AJGAYIJGYVINAP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077326
Clc1ccc(OC(C(=O)NCc2n3CCCc3nn2)C)cc1	EMOLS-id_29587132,MCULE-3214365765,PC-id_45864938	320.774	BQTAZECHQUJSJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077327
Clc1c(OCC(=O)NC(c2n3CCCc3nn2)C)cccc1	EMOLS-id_36261823,PC-id_53528366,MCULE-2763743266	320.774	DNLPWPZZJUSHBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077328
Clc1c(OC(C(=O)NCc2n3CCCc3nn2)C)cccc1	PC-id_45809771,EMOLS-id_31887634,MCULE-2028496432	320.774	LHOJWQOEHFITPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077329
CN(Cc1nnc2n1CCC2)C(=O)COc1ccc(Cl)cc1	CoCoCo_4491569,EMOLS-id_29986564,ZINC22_11120901,PC-id_45802675,MCULE-8268927377	320.774	VFFKFJKYKDNGIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077330
COc1ccc(cc1NCCC(=O)N1CCn2c1ncc2)Cl	EMOLS-id_279043921	320.774	JJHFGSFHDVZHAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077331
COc1ccc(cc1NCC(=O)N1Cc2c(C1)cnn2C)Cl	MCULE-9070416038,EMOLS-id_317991611	320.774	TYHBJMSEGFWPSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077332
COc1cc(N)c(cc1C(=O)NCC1CCn2c1ncc2)Cl	PC-id_139706447	320.774	QGQANQBYYODHQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077333
COC(c1ccccc1Cl)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318959746	320.774	JSGVYWHWWQXVRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077334
O=C(NC(c1nnc2n1CCC2)C)OCc1cccc(c1)Cl	EMOLS-id_318626819	320.774	KJDWSUKVUJPMMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077335
CCNc1ncc(cc1Cl)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319244889	320.777	TVUJVMQCYFLHPE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077336
COc1ccc(cc1Cl)NC(=NCc1nnc2n1CCC2)N	PC-id_119117959	320.777	ZFWDRMRTQADSNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077337
Clc1ccc(C(=O)c2c3CCC(c3sc2C)C(=O)O)cc1	SCHEMBL10746631,PC-id_13588814	320.791	ZQMGBJUITXHUQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077338
Clc1ccc(C(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_16505640	320.791	BZRUNUDLVNWQKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077339
Clc1cc(C(=O)c2c3CCC(c3sc2C)C(=O)O)ccc1	SCHEMBL10747519,PC-id_20213663	320.791	INZNSVUQBVMKKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077340
Clc1c(C(=O)c2c3CCC(c3sc2C)C(=O)O)cccc1	PC-id_13588816,SCHEMBL10746933	320.791	BYPFLTRRHDKUPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077341
Clc1c(C(=O)COC(=O)c2sc3CCCc3c2)cccc1	PC-id_7623632	320.791	YAPOYDMLOFECHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077342
O=C(COC(=O)c1cc2c(s1)CCC2)c1cccc(Cl)c1	PC-id_8146974,EMOLS-id_3570200,MCULE-1733668863,ZINC22_6999846,CoCoCo_2840990	320.791	JIWVIPHKLIDNNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077343
Clc1ccc(c(c1)F)N1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318016229,MCULE-4708555311	320.792	OQWVXCGMCLOPET-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077344
Clc1ccc(cc1F)N1CCC(C1)NC1CCn2c1ncc2	MCULE-3669077841,EMOLS-id_318090812	320.792	FJYZRSVWFKTRIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077345
Fc1ccc(c(c1)Cl)C1(CNC2CC(n3c2ncn3)C)CC1	MCULE-9607849382,EMOLS-id_318473708	320.792	CWCILLOURGMKSY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-077346
Fc1ccc(cc1Cl)N1CCC(C1)NC1CCn2c1ncc2	MCULE-7169090171,EMOLS-id_318199408	320.792	GISJEYQXNVTOQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077347
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1c(ccc(c1)Cl)O	PC-id_135749578	320.794	QONWXYKPYHVFAZ-CAOOACKPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077348
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)N	BAS-00662166,ChEMBL-DNDi_CHEMBL1561545,EMOLS-id_1257376,SCHEMBL8290832,PC-id_702148,CHEMBL1561545,PD114600,ZINC22_83926,MCULE-8808666399,ChEMBL-DNDi_CHEMBL8010-2336,CoCoCo_112002	320.794	PVBDFIKTSBQFOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077349
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)N	EMOLS-id_33486398,PC-id_4503432,MCULE-3741798457,ZINC22_6861997,TIMTEC358307,SCHEMBL8289830	320.794	OLIHXMMAMZIYTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077350
Clc1ccc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684406	320.794	NUEHHKCBDNTCPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077351
ClC1=CC(=CNNC(=O)c2sc3CCCc3c2)C(=O)C=C1	PC-id_9462262	320.794	JUVODIJFRFDFHT-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-077352
Clc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_27684414	320.794	LPLGVOMJDAAOLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077353
Clc1c(C(=O)NNC(=O)c2sc3CCCc3c2)cccc1	PC-id_26872698	320.794	IXFCTERBMSLZEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077354
NC(=O)c1c2c(CCC2)sc1NC(=O)c1ccc(Cl)cc1	ChEMBL-DNDi_CHEMBL1683-3333,MCULE-8125179878,PC-id_732276,EMOLS-id_1853260,ZINC22_146439,SCHEMBL8289437,TIMTEC195044,CoCoCo_3218591	320.794	HLNGOBKGAVKFSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077355
c1(C#N)c2CCCc2sc1NC(=O)c1c(Cl)c(nn1C)C	PC-id_4770585,EMOLS-id_4004567,TIMTEC540385,MCULE-5915418805,ZINC22_2779582	320.797	XAQXUXQKYTXYAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077356
c1(C#N)c2CCCc2sc1NC(=O)CCn1cc(Cl)cn1	MCULE-1954245132,TIMTEC374267,ZINC22_2777545,PC-id_4769183,EMOLS-id_4004573	320.797	PDFNYYFTKIGXRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077357
c1(C(=O)Nc2sc3c(CCC3)c2C#N)c(Cl)c(n(C)n1)C	EMOLS-id_4004577,MCULE-7003364708,CoCoCo_6579667,ZINC22_2779631,PC-id_4770624,TIMTEC345439	320.797	NWZIJHLUDUKXEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077358
COc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1OC	MCULE-2610702389,EMOLS-id_331006389	320.814	AAPNICAVDGFHAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077359
COc1ccc(Cn2nc3CCC(C)c3c2CCl)c(OC)c1	MCULE-2061332577,EMOLS-id_331006645	320.814	FTFZTUOLQOGIBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077360
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1OC	EMOLS-id_331022347,MCULE-7683028410	320.814	DZDDWDGUZAJXPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077361
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)c(OC)c1	EMOLS-id_331022603,MCULE-8134145429	320.814	RHOPNEJTVJQKKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077362
COC(c1ccc(cc1)Cl)C(NC1CC(n2c1ncn2)C)C	EMOLS-id_316578537	320.817	VXDCYZIFKZJVKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077363
c1(NC(=O)CCCc2ccc(cc2)Cl)sc2c(CCC2)n1	PC-id_84558846,MCULE-6279534960,EMOLS-id_181475972	320.837	BQRNDWOBSMRIFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077364
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCC2)NC)Cl	PC-id_135200288,SCHEMBL20353864	320.837	JFDOPMDITJFBHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077365
Cc1c(ccc(c1)NC(=O)c1c(sc2c1CCC2)NC)Cl	PC-id_135200367,SCHEMBL20353949	320.837	JSDQPSLPQVBVNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077366
CCc1nc(Cl)cc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_104134688	320.837	JAVKBHFBORCFQO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077367
Clc1cc(CCC(=O)Nc2sc3CCCc3n2)ccc1C	PC-id_33040952	320.837	VVGWCDWSQIMDAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077368
Clc1ccc(NC(=O)CNCc2sc3CCCc3c2)cc1	PC-id_61208368	320.837	UDDOGTCEDJEUTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077369
Clc1c(CN(C(=O)c2sc3CCCc3c2)C)cc(N)cc1	PC-id_43549706	320.837	IENWVIHRCRGTCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077370
Clc1cc(NC(=O)CNCc2sc3CCCc3c2)ccc1	PC-id_61208369	320.837	LWHJWRJEXIGVJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077371
Clc1c(NC(=O)CNCc2sc3CCCc3c2)cccc1	PC-id_61208564	320.837	YFPRALAARSADJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077372
Clc1sc2CCC(Nc3ccc(cc3)CC(=O)NC)c2c1	PC-id_81234401	320.837	HGAXLXJBAZZZEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077373
Clc1sc2CCC(Nc3c(c(ccc3)C(=O)NC)C)c2c1	PC-id_81234257	320.837	CIZLDNLGEDWKAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077374
Clc1sc2CCC(Nc3cc(ccc3)C(=O)NCC)c2c1	PC-id_81234643	320.837	IESYZXKSYPMOCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077375
Clc1sc2CCC(Nc3ccc(cc3)C(=O)N(C)C)c2c1	PC-id_81234778	320.837	RDYDHPPTTJCQCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077376
Clc1sc2CCC(Nc3cc(ccc3)C(=O)N(C)C)c2c1	PC-id_81235191	320.837	SIMLHIMHJFAWQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077377
Clc1sc2CCC(Nc3c(ccc(c3)C(=O)NC)C)c2c1	PC-id_81235194	320.837	FJWBHQJFXNGKAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077378
Clc1sc2CCC(Nc3ccc(cc3)C(=O)NCC)c2c1	PC-id_81235201	320.837	YIIYYBXYPOEYPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077379
Clc1sc2CCC(Nc3c(cccc3)C(=O)N(C)C)c2c1	PC-id_81235327	320.837	UPMHZQVLJYWTRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077380
Clc1sc2CCC(Nc3c(cc(cc3)C(=O)NC)C)c2c1	PC-id_81235454	320.837	HGABIWSDCLPMJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077381
Clc1sc2CCC(Nc3c(ccc(NC(=O)C)c3)C)c2c1	PC-id_81235452	320.837	GHGNEQNOAUDYNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077382
Clc1sc2CCC(Nc3cc(c(NC(=O)C)cc3)C)c2c1	PC-id_81234214	320.837	YYXWAOHMLVYJMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077383
Clc1sc2CCC(Nc3ccc(NC(=O)CC)cc3)c2c1	PC-id_81235056	320.837	LDFWWLKICRXGFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077384
Clc1sc2CCC(Nc3c(CC(=O)NC)cccc3)c2c1	PC-id_81234921	320.837	DLBSFFMLOHLXBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077385
Clc1sc2CCC(Nc3cc(NC(=O)C)c(cc3)C)c2c1	PC-id_81234265	320.837	BRWYLBLGCPGULP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077386
Clc1sc2CCC(Nc3cc(NC(=O)CC)ccc3)c2c1	PC-id_81235348	320.837	USRRMSRSPJHSFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077387
Clc1sc2CCC(NCc3ccc(cc3)C(=O)NC)c2c1	PC-id_81234963	320.837	OEBJHCNZUDSLPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077388
Clc1sc2CCC(NCC(=O)NCc3ccccc3)c2c1	PC-id_81246415	320.837	HFCGSVRQEQSOMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077389
NC(=O)c1ccc(c(c1)Cl)CNCc1sc2c(c1)CCC2	PC-id_102664198	320.837	ODCHDHACOKIUMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077390
Clc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318463370	320.839	JDZMPJXFTDFJJD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077391
Clc1ccsc1S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318472742	320.839	PVULMTJOPUZXQA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077392
C1CCC(CC1)(CN1Cc2c(S1(=O)=O)ccs2)NCl	SCHEMBL13632860,PC-id_89133557	320.859	OXBUGCYYHBDNIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077393
CCCNC(c1ccc(cc1C)Cl)c1sc2c(n1)CCC2	PC-id_108386612	320.88	ICTLFNRQOFTSPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077394
CCCNC(c1ccc(c(c1)Cl)C)c1sc2c(n1)CCC2	PC-id_106818066	320.88	OBJYSIDBONMUGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077395
CCCNC(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_115985005	320.88	IQLUZBSQAAAVQF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077396
CC(NC(c1ccc(cc1C)Cl)c1sc2c(n1)CCC2)C	PC-id_108386629	320.88	XYDYTBPBBNXDHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077397
CC(NC(c1ccc(c(c1)Cl)C)c1sc2c(n1)CCC2)C	PC-id_106818072	320.88	QFLFOXOUHHBWNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077398
CCNC(c1sc2c(n1)CCC2)(Cc1ccc(cc1)Cl)C	PC-id_105545912	320.88	XCABYKJLWNPYHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077399
Clc1sc2CCC(Nc3ccc(N(CC)CC)cc3)c2c1	PC-id_81234638	320.88	LDZKFPFCQPVUTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077400
Clc1sc2c(C(NCc3c(CN(C)C)cccc3)CC2)c1	PC-id_81235343	320.88	XADQBUNHMXYNEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077401
Clc1sc2c(C(NCCCN(c3ccccc3)C)CC2)c1	PC-id_81233565	320.88	WXGXDRMZBWUMEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077402
Clc1sc2c(C(NCC(N(C)C)c3ccccc3)CC2)c1	PC-id_81235079	320.88	BWRIUORPTWTSCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077403
Clc1sc2c(C(NC(CN(C)C)c3ccccc3)CC2)c1	PC-id_81235344	320.88	LQYUWOSTHIDRFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077404
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006911,MCULE-3144395909	320.88	FWRSKSNCDAOWTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077405
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CCl	MCULE-8046202388,EMOLS-id_331009212	320.88	SMMIPQZKKUOAQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077406
C1CC2=NC=C(N2C1)CNC3=C(C=C(C=C3)Br)CO	MCULE-9561122054,PC-id_154771046,EMOLS-id_317330457	321.048	NUODLMFQGXVYPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077407
CC1(C=CC=C(C=C1)OC1CCn2c1nc(n2)Br)C	PC-id_163724126	321.048	KUDAJZBTPCHPIR-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-077408
C1C2=CN(N=C2CN1)S(=O)(=O)C3=CN(N=C3)CC(F)(F)F	PC-id_164872235	321.051	HKDISMKHOWTWEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077409
C1C2=CN(N=C2CN1)S(=O)(=O)C3=NN(C=C3)CC(F)(F)F	PC-id_164872225	321.051	SGZCFMUBYFXUPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077410
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)O	PC-id_164872127	321.078	JYGYEDLJAGASQX-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077411
c12c(I)cnn1CCN2CC(=O)OCC	EMOLS-id_323991697,MCULE-9071744209	321.115	JNPJJXJAKCBHTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077412
c12CN(Cc1nn(C)c2I)C(=O)OCC	EMOLS-id_324343908,MCULE-1257767422	321.115	HNBGUGAIPAIWEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077413
CC1=C(N2CCCC2=C1C(=O)O)C(=O)C(=O)NC(C)(C)C(=O)N	PC-id_160141367	321.132	XALCOMSMEOAUSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077414
CC(=O)CN1C2=C(CCC2)C(=N1)C(=C=O)N3CCC(C(C3)F)O	PC-id_153600523	321.149	GOSKVIUXJNDUGP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077415
CCOC(=O)C1(CCn2c1nc(c2Cl)Cl)C(=O)OCC	PC-id_102327559	321.157	GJDAHVCUFPXLKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077416
BrC1Cc2n(ncc2C1=O)Cc1ccc(OC)cc1	SCHEMBL6837345,PC-id_69912362	321.169	FFKOPTLNLVBLBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077417
Brc1ccc(nc1)CNC(=O)c1occ2c1CCC2	EMOLS-id_318677672	321.169	WDJRGPIEBLLTJE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077418
Brc1ccnc(c1)CNC(=O)c1occ2c1CCC2	EMOLS-id_318523591	321.169	WIIWDKJIYBXMPW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077419
Brc1cncc(c1)CNC(=O)c1occ2c1CCC2	EMOLS-id_319508929	321.169	OAKFLFBAZQLANV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077420
Cc1cnc(c(c1)NC(=O)c1occ2c1CCC2)Br	EMOLS-id_319664834	321.169	WFTLQRIKWYURMH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077421
O=C(c1occ2c1CCC2)NCc1ccncc1Br	EMOLS-id_318509137	321.169	SSPBDQFRRHPRMI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077422
O=C(c1occ2c1CCC2)NCc1ncccc1Br	EMOLS-id_318710513	321.169	JKECUVNDQCTYKY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077423
Brc1cc(CC(=O)N2CCn3c2ccn3)nc(c1)C	EMOLS-id_319131175	321.173	VFTGNZHORCSMED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077424
Brc1cc(CC(=O)N2CCn3c2ncc3)nc(c1)C	EMOLS-id_320223396,MCULE-3358516426	321.173	GEELMHPHZRVBPH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077425
Brc1ccc(nc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317947483	321.173	GGEWDSNKZAWXKF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077426
Brc1cc(nc(c1)C)CC(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319040570	321.173	KYOWSRFILAZEAW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077427
Brc1cncc(c1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_319365918	321.173	FOYHRLGJYPJPSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077428
Brc1cncc(c1)CNC(=O)c1cnn2c1CCC2	MCULE-3996314720,EMOLS-id_320248347	321.173	SUVPZWUQSQTLNB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077429
Brc1cncc(c1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319090324	321.173	PWCCPDWMAHLCDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077430
Brc1cncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317965175,MCULE-8462172472	321.173	PGYIMVRDPMCYEN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077431
Cc1ccnc(NC(=O)c2c(Br)nc3n2CCC3)c1	PC-id_146092034,EMOLS-id_324033314,ZINC22_823691970,MCULE-3810388078	321.173	ZWAAOQPPZBWXKT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077432
Cc1cnc(c(c1)NC(=O)c1cnc2n1CCC2)Br	EMOLS-id_319614533	321.173	LUPKKWGVAZSSSX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077433
Cn1nc2c(c1NC(=O)c1ccncc1Br)CCC2	MCULE-9151369814,ZINC22_268660500,EMOLS-id_316893464	321.173	WWJMUEKWHOTJCS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077434
Cn1nc2c(c1NC(=O)c1cncc(Br)c1)CCC2	EMOLS-id_320325334,MCULE-6915044457,ZINC22_299198992	321.173	SPPFQIQTLPKYCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077435
O=C(c1ccncc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319205248	321.173	COFWTJRQJYQFLK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077436
O=C(c1cn2c(n1)CCC2)NCc1ccncc1Br	EMOLS-id_319695302	321.173	PCCANMBOFHSNEG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077437
O=C(c1cnn2c1CCC2)NCc1ccncc1Br	EMOLS-id_318569198	321.173	ZTPADEKLDCPLJC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077438
O=C(c1ncccc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319383033	321.173	IMWGPECVGYPKOE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077439
O=C(c1n[nH]c2c1CCC2)NCc1ccncc1Br	EMOLS-id_316691975	321.173	QRDWCBIIFICMTL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077440
O=C(NCc1nnc2n1CCC2)c1ccc(Br)cc1	ZINC22_15520051,MCULE-5469811987,EMOLS-id_31867744,PC-id_17503999	321.173	LFXCOZCJNTVVEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077441
O=C(NCc1nnc2n1CCC2)c1cccc(Br)c1	PC-id_24247841,EMOLS-id_44028109,ZINC22_40817148,MCULE-4294964411	321.173	ZEGOPGCLCOKKPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077442
O=C(NCc1nnc2n1CCC2)c1ccccc1Br	PC-id_17504747,ZINC22_15520110,MCULE-3339276636,EMOLS-id_31867742	321.173	CCJLGFWEGSKCFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077443
CCCCCCC(CCCC)CN1C2=C(C(=O)C1=O)SC=C2	PC-id_154726358	321.176	RRFFXXLJKZRUQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077444
ICCNC(=O)c1sc2c(c1)CCC2	PC-id_104080806,EMOLS-id_262445238	321.178	KVFRBBOYIXQWIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077445
CC(C)(C)C(=O)NC1CCCN(C1)CC2=NC3=C(S2)CCC3	PC-id_165434470,MCULE-8792468078,EMOLS-id_337825526	321.187	CLAZLUGYCDDDJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077446
Brc1ccc(cc1)C(=O)C1Cc2c(C1=O)ccs2	PC-id_86699194,SCHEMBL15312073	321.189	GOADFAIVIPRZRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077447
Brc1ccccc1C(=O)C1Cc2c(C1=O)ccs2	SCHEMBL15311847,PC-id_86699217	321.189	KRZGWLQQBSKSDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077448
Brc1cccc(c1)C(=O)C1Cc2c(C1=O)ccs2	SCHEMBL15312309,PC-id_86699218	321.189	ITYADVAJGQQIEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077449
Brc1cc(sc1)C(=O)c1n2CCC(c2cc1)C#N	PC-id_21331551,SCHEMBL11357562	321.192	XBUQZBXQXGFHHA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077450
Brc1c(scc1)C(=O)c1n2CCC(c2cc1)C#N	PC-id_21331539,SCHEMBL11346044	321.192	CZHRJDSLMHMFGA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077451
Brc1sc(C(=O)c2n3CCC(c3cc2)C#N)cc1	PC-id_21331545,SCHEMBL11344242	321.192	MYBBENQSFYBLOP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077452
CCN(C(C)(C)C)[Si](C)(C)C1C(=C(C2=C1SC(=C2)C)C)C	PC-id_164178722	321.195	OBXLJIWGOFEOGL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-077453
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)OC	MCULE-4473537248,EMOLS-id_330965497	321.212	AVRKBNPZFLSEIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077454
c12C(C)CCc1nn(Cc1ccc(cc1Br)OC)c2	EMOLS-id_331000745,MCULE-2876029104	321.212	LEPZMVYJZDBYTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077455
c12C(C)CCc1nn(Cc1cc(OC)ccc1Br)c2	MCULE-4814077342,EMOLS-id_331000489	321.212	NRRSPTCLUYLFRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077456
CC1CCc2c1c(CO)nn2Cc1ccc(Br)cc1	MCULE-5911560214,EMOLS-id_331007737	321.212	KHKSROHSQNXSGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077457
CC1CCc2c1c(CO)nn2Cc1cccc(Br)c1	EMOLS-id_331009017,MCULE-3545526005	321.212	VUCMPCKVZHEARL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077458
CC1CCc2c1c(CO)nn2Cc1ccccc1Br	EMOLS-id_331006714,MCULE-3946777450	321.212	IEQSQWQNNJLFJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077459
CC1CCc2c1c(O)nn2Cc1ccc(Br)cc1C	EMOLS-id_330957809,MCULE-9032444154	321.212	HBBSILXKQBDTEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077460
CC1CCc2c1c(O)nn2Cc1ccc(Br)c(C)c1	MCULE-2415685219,EMOLS-id_330958065	321.212	OEAMVYUDBDZRPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077461
CC1CCc2c1c(O)nn2Cc1ccc(C)c(Br)c1	EMOLS-id_330959089,MCULE-6482371284	321.212	LVPHNVADDHCZRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077462
CC1CCc2c1c(O)nn2Cc1cc(C)cc(Br)c1	MCULE-9739477908,EMOLS-id_330959345	321.212	SMKPXFACBSQPCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077463
CC1CCc2c1c(O)nn2Cc1cc(C)ccc1Br	MCULE-3218915391,EMOLS-id_330957042	321.212	PMLYMQPULDHDNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077464
CC1CCc2c1c(O)nn2Cc1ccc(C)cc1Br	MCULE-6163570668,EMOLS-id_330960881	321.212	WVKWIXXRQBNJMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077465
CC1CCc2c1c(O)nn2Cc1cccc(C)c1Br	MCULE-8117279545,EMOLS-id_330957298	321.212	WSRYIQRCQQDQPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077466
CC1CCc2nn(Cc3ccc(Br)cc3C)c(O)c12	EMOLS-id_331004078,MCULE-6605250947	321.212	VZSJKZDJRKWGTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077467
CC1CCc2nn(Cc3ccc(Br)cc3)c(CO)c12	MCULE-9211468185,EMOLS-id_330990516	321.212	DWTDSIQZLKKCMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077468
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(O)c12	EMOLS-id_331004334,MCULE-7755763370	321.212	GBDZGDWVVNXPDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077469
CC1CCc2nn(Cc3cccc(Br)c3)c(CO)c12	MCULE-4331900976,EMOLS-id_330991796	321.212	WEDYGUUHJKGPMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077470
CC1CCc2nn(Cc3ccccc3Br)c(CO)c12	MCULE-8961790120,EMOLS-id_330993588	321.212	HEOSTCYSVMMPSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077471
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(O)c12	EMOLS-id_331005358,MCULE-2054597908	321.212	RLXDCFDGTPHHNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077472
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(O)c12	MCULE-4176571057,EMOLS-id_331005614	321.212	HMQFZSYSYPKHMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077473
CC1CCc2nn(Cc3cc(C)ccc3Br)c(O)c12	EMOLS-id_331003311,MCULE-7587895374	321.212	ABSROVRRCYIKMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077474
CC1CCc2nn(Cc3cccc(C)c3Br)c(O)c12	EMOLS-id_331003567,MCULE-4021928413	321.212	JHEJQTUZJZAQKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077475
CC1CCc2nn(Cc3ccc(C)cc3Br)c(O)c12	MCULE-4986047790,EMOLS-id_331003055	321.212	KFFJUYQCIZFZIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077476
COc1ccc(Br)c(Cn2ncc3C(C)CCc23)c1	MCULE-4989596596,EMOLS-id_331014636	321.212	OGZQOKBSOUAGGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077477
COc1ccccc1Cn1nc2CCC(C)c2c1Br	MCULE-4844138996,EMOLS-id_331017641	321.212	UOWMDUYLYFMGSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077478
COc1ccccc1Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330966013,MCULE-6175487731	321.212	UBPAJNSIXUJAHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077479
COc1cccc(Cn2nc3CCC(C)c3c2Br)c1	EMOLS-id_331014568,MCULE-2992037951	321.212	SDPXADJXPQDSLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077480
COc1cccc(Cn2nc(Br)c3C(C)CCc23)c1	MCULE-2696950182,EMOLS-id_330967035	321.212	YOCHPZMYGNXYBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077481
COc1ccc(Cn2nc3CCC(C)c3c2Br)cc1	EMOLS-id_331017125,MCULE-2710342846	321.212	QXIDLXIDWNCYOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077482
COc1ccc(Cn2ncc3C(C)CCc23)c(Br)c1	MCULE-8242369050,EMOLS-id_331014892	321.212	KLSPXJQVCNRRDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077483
BrCS(=O)(=O)Nc1sc2c(CCC2)c1C#N	PC-id_83083932,EMOLS-id_315104917	321.214	CTRCOBGYAZGSKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077484
Brc1ccc(c(c1)C)CNC1CC(n2c1ncn2)C	EMOLS-id_318108996,MCULE-5683899213	321.216	ASZGWXOZSRFRTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077485
Brc1ccc(cc1)CCNC1CC(n2c1ncn2)C	MCULE-2972144841,EMOLS-id_318508121	321.216	RJWALWNFVKZBCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077486
Brc1cccc(c1)CCNC1CC(n2c1ncn2)C	MCULE-7312368419,EMOLS-id_318719319	321.216	VJQROMPEIOFYKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077487
Brc1cccc(c1C)CNC1CC(n2c1ncn2)C	MCULE-8110949458,EMOLS-id_318386838	321.216	BMONYAAEBYXTQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077488
Brc1ccc(c(c1)CNC1CC(n2c1ncn2)C)C	EMOLS-id_318668798,MCULE-5394011231	321.216	WEYUYNSLKBIRAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077489
Brc1ccc(cc1)CNC(c1nnc2n1CCC2)C	EMOLS-id_317928601,MCULE-1293226717,PC-id_43433232	321.216	XMMHQYHEWTVXLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077490
Brc1cccc(c1)CNC(c1nnc2n1CCC2)C	EMOLS-id_317977688,PC-id_43433229,MCULE-2757450927	321.216	UYZXTVYGOGXOGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077491
Brc1cccc(c1)C(NCc1nnc2n1CCC2)C	MCULE-1603747878,EMOLS-id_318769672	321.216	DOTKKPABQKWXRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077492
Brc1ccc(cc1)C(NCc1nnc2n1CCC2)C	MCULE-4854536093,EMOLS-id_318636040	321.216	AJXONLLONDWPSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077493
Brc1ccc(nc1)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318373686,MCULE-3028979934	321.216	YLGPIMYYMAIFDY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077494
Brc1ccc(nc1)C(NCc1cnc2n1CCC2)C	MCULE-5356814717,EMOLS-id_318390019	321.216	JDXGGADXMBMNGN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077495
Brc1ccc(nc1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318476595,MCULE-5385945647	321.216	PALVGHIIDFFCJW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077496
Brc1c(CNC(c2n3CCCc3nn2)C)cccc1	PC-id_43433211,MCULE-4686915504,EMOLS-id_300418155	321.216	PLLBVYXUGRKQFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077497
Brc1c(CNCc2nnc3n2CCC3)cccc1C	EMOLS-id_318457577,MCULE-5454751792	321.216	OCELMQWLIBVTLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077498
Brc1cnc(cc1C)CNC1CC(n2c1ncc2)C	EMOLS-id_318079671,MCULE-2067287571	321.216	ZVVSGXWXXZVHNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077499
Brc1cncc(c1C)CNC1CC(n2c1ncc2)C	EMOLS-id_318393600,MCULE-2026763880	321.216	ARTWPLXCCIZTEO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077500
Brc1cncc(c1)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318397191,MCULE-7595832151	321.216	JOMULYBXBPAXKJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077501
Cc1ccc(c(c1)CNC1CC(n2c1ncn2)C)Br	EMOLS-id_318684991,MCULE-4906019574	321.216	UQSGKFXWPSJVIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077502
Cc1cc(NCc2cnc3n2CCC3)nc(c1Br)C	EMOLS-id_318551825,MCULE-2007081414	321.216	QXVJUSSRAWTKOA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077503
Cc1ncc(c(c1Br)C)NCc1cnc2n1CCC2	MCULE-1011787826,EMOLS-id_318606247	321.216	SWDWYEKTDWGJSJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077504
CC(c1cc2n(n1)CCC2)Nc1cnc(c(c1)Br)C	MCULE-6260957284,EMOLS-id_318763499	321.216	POHUWXQECVVTMJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077505
CC(c1ccccc1Br)NCc1nnc2n1CCC2	MCULE-7629919310,EMOLS-id_318437557	321.216	PNEVKCIICIJMQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077506
CC(c1nn2c(c1)CCC2)Nc1cncc(c1C)Br	MCULE-4250780625,EMOLS-id_318384618	321.216	JCGZKNHTDBSCBD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077507
CC(c1nn2c(c1)CCC2)NCc1ncccc1Br	EMOLS-id_318451138,MCULE-6438524525	321.216	SYTQNQSSEWXTHL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077508
C[C@@H](c1ccc(cc1)Br)NC1CC(n2c1ncn2)C	EMOLS-id_318605542,MCULE-6489878342	321.216	TXIBUWISCDGZPO-QUNCOHTASA-N	00000010100000110001000010000000000000000000000000000000	25-01-077509
C[C@H](c1ccc(cc1)Br)NC1CC(n2c1ncn2)C	EMOLS-id_318608923	321.216	TXIBUWISCDGZPO-RUETXSTFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077510
C[C@H](NCc1ccccc1Br)c1nnc2n1CCC2	PC-id_51683327,CoCoCo_4858059,ZINC22_96812205	321.216	PLLBVYXUGRKQFQ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-077511
C[C@@H](NCc1ccccc1Br)c1nnc2n1CCC2	PC-id_51683329,ZINC22_96812206,CoCoCo_4858060	321.216	PLLBVYXUGRKQFQ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077512
c1(C#N)c2CCCc2sc1N=Cc1c(cccc1Cl)Cl	PC-id_629365,MCULE-2306263972,EMOLS-id_300185933	321.224	GXZHPUFPTBGANZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077513
c1(C#N)c2CCCc2sc1/N=C/c1c(cccc1Cl)Cl	ZINC22_12428369,PC-id_9585918,EMOLS-id_25860161,SPECS-id_AN-153/I120892,CoCoCo_1940035,SPECS-id_AG-205/10986001,MCULE-9735067262,SPECS-id_AT-084/J158088	321.224	GXZHPUFPTBGANZ-UFWORHAWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077514
c1(C#N)c2CCCc2sc1/N=C/c1cccc(Cl)c1Cl	CoCoCo_1945312,ZINC22_97020877,EMOLS-id_26817359,TIMTEC64292,MCULE-6913862052,PC-id_9600530	321.224	AVPDBIJWTPVSBA-UFWORHAWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077515
c1(C#N)c2CCCc2sc1N=Cc1cccc(Cl)c1Cl	MCULE-3139455302,PC-id_697761	321.224	AVPDBIJWTPVSBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077516
N#Cc1c(/N=Cc2cccc(c2Cl)Cl)sc2c1CCC2	CoCoCo_1945313	321.224	AVPDBIJWTPVSBA-UWVJOHFNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077517
N#Cc1c(N=Cc2ccc(c(c2)Cl)Cl)sc2c1CCC2	PC-id_102360247	321.224	PSYVKWUKBNKVME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077518
N#Cc1c(/N=Cc2c(Cl)cccc2Cl)sc2c1CCC2	CoCoCo_1940036	321.224	GXZHPUFPTBGANZ-UWVJOHFNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077519
Brc1cccc(c1)CC(=O)c1sc2c(c1)CCC2	EMOLS-id_314955623,PC-id_63529078	321.232	HDMHRTPROOIZJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077520
Brc1ccc(cc1)CC(=O)c1sc2c(c1)CCC2	PC-id_63528379,EMOLS-id_314918484	321.232	LHYMQJQVCHHBSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077521
O=C(c1sc2c(c1)CCC2)Cc1ccccc1Br	PC-id_114962571	321.232	DAATUHWZNRGFIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077522
BrC(c1sc2c(CCC2)c1)c1c(cc(cc1)C)C	PC-id_55199712	321.275	SZELUXJGPCPJAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077523
BrC(c1sc2c(CCC2)c1)c1cc(c(cc1)C)C	PC-id_63435632	321.275	GGZTXCRHMBJSTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077524
BrC(c1sc2c(CCC2)c1)c1ccc(cc1)CC	PC-id_63440327	321.275	OMXCDODWSYAJKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077525
BrC(c1sc2c(CCC2)c1)c1c(ccc(c1)C)C	PC-id_63442337	321.275	SZLSMPODXICGHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077526
BrC(c1sc2c(CCC2)c1)Cc1ccc(cc1)C	PC-id_55223335	321.275	HMXFMADMDSNYBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077527
BrC(c1sc2c(CCC2)c1)Cc1cc(ccc1)C	PC-id_55224667	321.275	GYGOOPUTDINCCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077528
BrC(c1sc2c(CCC2)c1)Cc1c(cccc1)C	PC-id_63543324	321.275	FJEAUUODMQCUDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077529
Cn1nc(c(c1)S(=O)(=O)N1CCn2c1ncc2)C(F)(F)F	EMOLS-id_319006560	321.279	MUCNGOLMFTWEFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077530
O=S(=O)(c1cnc2n1CCC2)Nc1[nH]cc(n1)C(F)(F)F	EMOLS-id_99636147	321.279	RGPRHUBHFILSKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077531
O=S(=O)(c1cnc2n1CCC2)Nc1[nH]nc(c1)C(F)(F)F	EMOLS-id_100969147	321.279	BISPBHSLYKGCPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077532
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(F)c1)F)CC	MCULE-1466944446,PC-id_135629434,STOCK6S-73404,EMOLS-id_24583487	321.282	DBVFFPMMSXCGDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077533
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2	PC-id_135950476,ZINC22_20744355	321.282	DBVFFPMMSXCGDM-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-077534
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2	ZINC22_20744354,PC-id_135950475	321.282	DBVFFPMMSXCGDM-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077535
Fc1cc(cc(c1)F)NC(=O)C(=O)NCc1nnc2n1CCC2	GD-id_ZINC41235080	321.282	PRDOBLCVUYTFHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077536
CC(C)C(C(=O)Cc1c(n2C(=N)N=Nc2n1)O)C(=O)C(=O)OC	PC-id_135465960	321.289	MSIJTSZQBHQSMT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077537
CC(C)CC(=O)C(c1c(n2C(=N)N=Nc2n1)O)C(=O)C(=O)OC	PC-id_135502410	321.289	RKPIVNXMSZMABI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077538
CC(C)[C@@H](C(=O)Cc1c(n2C(=N)N=Nc2n1)O)C(=O)C(=O)OC	PC-id_137166750	321.289	MSIJTSZQBHQSMT-QMMMGPOBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077539
CC(C)[C@H](C(=O)Cc1c(n2C(=N)N=Nc2n1)O)C(=O)C(=O)OC	PC-id_137166751	321.289	MSIJTSZQBHQSMT-MRVPVSSYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077540
COC(=O)C(=O)C(C(=O)CC1=Nc2n(C1=O)c(nn2)N)C(C)C	SPECS-id_AT-225/NB57076,PC-id_4148240	321.289	CCSAVHIBAYDOEK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077541
COC(=O)C(=O)[C@@H](C1=Nc2n(C1=O)c(=N)[nH]n2)C(=O)CC(C)C	CoCoCo_5636538,NSC382723,LI_194204,CoCoCo_5636539	321.289	WJBLIIHNFAEXMZ-SSDOTTSWSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077542
COC(=O)C(=O)[C@H](C1=Nc2n(C1=O)c(=N)[nH]n2)C(=O)CC(C)C	CoCoCo_5636540,CoCoCo_5636537	321.289	WJBLIIHNFAEXMZ-ZETCQYMHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077543
O=C(C(C1=Nc2n(C1=O)c(nn2)N)C(=O)C(=O)OC)CC(C)C	PC-id_436119	321.289	WJBLIIHNFAEXMZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077544
COCC(C(F)(F)F)(NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319612952	321.299	HSYONUILBXHDPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077545
COCC(C(F)(F)F)(NC(=O)NCc1nnc2n1CCC2)C	EMOLS-id_316604152	321.299	DZKCWIOCXNEMJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077546
N#Cc1cc(ccc1C(F)(F)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318404208,MCULE-9834641051	321.3	KOSIHDAZPRIAQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077547
N#Cc1ccc(cc1C(F)(F)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318661378,MCULE-4502365274	321.3	JJSXWTUBCLPQBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077548
N#Cc1cc(ccc1NC(c1nnc2n1CCC2)C)C(F)(F)F	EMOLS-id_318508405,MCULE-8807566806	321.3	WFEUDXUINAFBRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077549
N#Cc1ccc(cc1NC(c1nnc2n1CCC2)C)C(F)(F)F	EMOLS-id_318749641,MCULE-3128536435	321.3	UEGDZCFYVNYAIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077550
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2	ZINC22_9142122,PC-id_17102714	321.309	ZWXDMHPICWWKAX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-077551
N#CC1=C(N)n2n(C1(C#N)C#N)c(=O)sc2=Nc1ccccc1	PC-id_139226736	321.317	JETIIYCPNKDNRZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-077552
FC(C1=CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_100243231	321.319	UQJQZQNEJHYBMQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-077553
c1(c(F)cc(cc1F)OC)C(=O)N(C)Cc1c2CCCc2[nH]n1	ZINC22_220194068,MCULE-6595812922,PC-id_91776902,EMOLS-id_55650777	321.322	QYDPYBYHTDIZQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077554
c1(C(=O)N)c2C(C)CCc2n(Cc2c(F)cc(cc2F)OC)n1	MCULE-2760074454,EMOLS-id_331038471	321.322	YOQFVTVMWNUWIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077555
CC(C(c1ccc(c(c1)F)F)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_112364368	321.322	SFYBKSPCRRGZSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077556
CCOc1ccccc1C(F)(F)C(=O)N=c1cc2n([nH]1)CCC2	ZINC22_1875274486,PC-id_146105913,EMOLS-id_324066414,MCULE-1470182307	321.322	CBLXKXHKSWDZMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077557
Cn1nc2c(c1NC(=O)Cc1ccc(OC(F)F)cc1)CCC2	MCULE-4166916686,PC-id_47777421,EMOLS-id_44501916,ZINC22_84303481	321.322	DNWDKKVTWGYOAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077558
COc1cc(F)c(Cn2nc3CCC(C)c3c2C(=O)N)c(F)c1	MCULE-3090932432,EMOLS-id_331020465	321.322	XIBBQTDOIGTYKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077559
Fc1ccc(c(c1)F)C(CNC(=O)c1n[nH]c2c1CCC2)(O)C	PC-id_111335377	321.322	OPWKHEWDORONJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077560
C=CCCC(=O)N1CCc2c1oc(c2OC(=O)C)C(=O)OCC	PC-id_100965917	321.325	OVEGZNQMHDUMFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077561
O=C(c1c(F)cccc1F)NCCNC1CC(n2c1ncn2)C	EMOLS-id_316575977	321.325	SQEUVCBMQJWPDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077562
O=C(C(c1ccc(cc1F)F)N)NC(c1nnc2n1CCC2)C	EMOLS-id_318062769	321.325	JFQGAVSRABJIHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077563
O=C(C(c1c(F)cccc1F)N)NC(c1nnc2n1CCC2)C	EMOLS-id_318080834	321.325	LLFXDJYLIWCZFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077564
O=C(Cn1nc(C(F)F)cc1C1CC1)N[C@H]1CCn2cncc12	ZINC22_898810785	321.325	NURJSDCQXXDQHE-JTQLQIEISA-N	00100010100000000001100010000000000000000000000000000000	25-01-077565
O=C(Cn1nc(C(F)F)cc1C1CC1)N[C@@H]1CCn2cncc12	ZINC22_898810786	321.325	NURJSDCQXXDQHE-SNVBAGLBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-077566
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1C(F)(F)C	EMOLS-id_319057601	321.325	KOVCMUGFGUVSQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077567
O=C(N1Cc2c(C1)c(n(n2)C)N)NC(c1ccccc1)C(F)F	EMOLS-id_319714254	321.325	NNUGKOGEFJVUTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077568
O=C(NC1CCn2c1cnc2)Cn1nc(cc1C1CC1)C(F)F	EMOLS-id_316992614,MCULE-6435620747	321.325	NURJSDCQXXDQHE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-077569
O=C(N(Cc1nnc2n1CCC2)C)Nc1ccccc1C(F)F	EMOLS-id_318740138	321.325	XBEQIBZECOJVCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077570
O=C(NC(c1nnc2n1CCC2)C)NCc1cccc(c1F)F	EMOLS-id_316707611	321.325	UCZOVZCNRNVEOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077571
O(C(=O)c1c2n(c(c1C(=O)OCC)C(=O)OCC)C=CC2)CC	PC-id_11209437	321.325	MASWXQAAQRXMRI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-077572
FC(c1nnc(s1)NS(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_97700135	321.327	MADDPHFVDXVRMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077573
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(o1)c1ccccc1	PC-id_139746955	321.327	NVTWJOBGPPNBMD-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-077574
COC(=O)c1c(NC(=O)N2CCN(C(=O)C2)C)nc2n1CCC2	EMOLS-id_319361245	321.332	OPATYDBMAMUYNL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077575
O=C1/C(=C/c2cn3c(n2)SCC3=O)/[C@@H]2N1C(=CS2)C(=O)O	SCHEMBL7646121,PC-id_70152416	321.332	VMWFTCIZXQMFON-ONFJKGSWSA-N	00001011100000000001001010000000000000000000000000000000	25-01-077576
S1C2N(C(=O)C2=Cc2nc3SCC(=O)n3c2)C(=C1)C(=O)O	PC-id_76480159	321.332	VMWFTCIZXQMFON-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-077577
S1[C@H]2N(C(=O)C2=Cc2nc3SCC(=O)n3c2)C(=C1)C(=O)O	PC-id_57102110	321.332	VMWFTCIZXQMFON-SNVBAGLBSA-N	00001011100000000001001010000000000000000000000000000000	25-01-077578
FC(c1cccc(c1)C1(CC1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318295607,MCULE-5068226826	321.34	MZLCRDGRFRETFA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-077579
FC(c1cccc(c1)C1(CNC2CCn3c2ncc3)CC1)(F)F	EMOLS-id_318012562,MCULE-7427878408	321.34	LLFDZVIIGWKFJW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-077580
FC(c1ccc(cc1)C1(CNC2CCn3c2ncc3)CC1)(F)F	EMOLS-id_318116242,MCULE-5012372251	321.34	RAFXLDSXQQAAQB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-077581
FC(c1ccc(cc1)[C@@H]1C[C@H](C1)NC1CCn2c1ncc2)(F)F	EMOLS-id_320061654,MCULE-9788093364	321.34	FKASCVIBJKIFBG-FJVAONGCSA-N	00001010100000110001100010000000000000000000000000000000	25-01-077582
FC(c1cccc(c1)[C@@H]1C[C@H](C1)NC1CCn2c1ncc2)(F)F	MCULE-7534710357,EMOLS-id_320297811	321.34	NREFURXMFGBRFD-FJVAONGCSA-N	00001010100000110001100010000000000000000000000000000000	25-01-077583
FC(C1(O)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_100627679	321.343	FFNIPBQNOOMFSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077584
FC(CC1COCCN1S(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_98583064	321.343	VWZUSGUFRUULQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077585
CC(C)(C)c1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324852452	321.345	RBWQKNPHQMJGEH-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077586
CC(C)Cc1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324858593	321.345	RUHANOKTTKSLLD-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-077587
CC(C)(C)c1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324851940	321.345	OFJBBKPQHWGIFE-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077588
CC(C)Cc1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324858081	321.345	FNUMQZDUGNKOJD-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077589
CC(C)(C)c1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324849898	321.345	ZDNXIECVJOHPOC-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077590
CC(C)Cc1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324860134	321.345	YUAJFALCRSJGAY-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077591
FC(c1nnc(s1)NCCc1cn2c(n1)SCC2)(F)F	MCULE-9290112216,EMOLS-id_318658455	321.345	KPLXSTWUGBVSET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077592
FC(c1nsc(n1)NCCc1nc2n(c1)CCS2)(F)F	MCULE-4170211999,EMOLS-id_318410233	321.345	LXWHIYBMRNSOPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077593
n12c(=O)c(=Cc3ccc(cc3F)F)sc1nc(C(C)(C)C)n2	MCULE-3422152440	321.345	RBWQKNPHQMJGEH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077594
n12c(=O)c(=Cc3ccc(c(F)c3)F)sc1nc(C(C)(C)C)n2	MCULE-8314716139	321.345	OFJBBKPQHWGIFE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077595
n12c(=O)c(=Cc3cc(F)ccc3F)sc1nc(C(C)(C)C)n2	MCULE-4810664854	321.345	ZDNXIECVJOHPOC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077596
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)CC(C)C	MCULE-8271858433	321.345	RUHANOKTTKSLLD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077597
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)CC(C)C	MCULE-5926172333	321.345	FNUMQZDUGNKOJD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077598
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CC(C)C	MCULE-9138206423	321.345	YUAJFALCRSJGAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077599
C1Cc2c(C1)oc(c2)CC1C(=CN=C(CS1)C(=O)O)C(=O)O	PC-id_91415668	321.348	SXVKAUUAXAOGSH-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-077600
Cc1noc(C2CC2)c1NC(=O)c1[nH]cc2c1CCS2(=O)=O	ZINC22_1875332645	321.352	CKBHEPNFFZPWSZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-077601
COC(=O)C1c2c[nH]nc2CN1S(=O)(=O)Cc1ccccc1	EMOLS-id_317001761,MCULE-3544099462	321.352	MDFYDVSHRWDYET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077602
COC(=O)c1cc(ccc1C)S(=O)(=O)N1CCn2c1ncc2	MCULE-5580766522,EMOLS-id_177319382	321.352	XESYMBOIWVNDSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077603
COC(=O)[C@H]1c2c[nH]nc2CN1S(=O)(=O)Cc1ccccc1	ZINC22_1775987196	321.352	MDFYDVSHRWDYET-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077604
COC(=O)[C@@H]1c2c[nH]nc2CN1S(=O)(=O)Cc1ccccc1	ZINC22_1775987198	321.352	MDFYDVSHRWDYET-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077605
CS(=O)(=O)N1Cc2nc(C(=O)NCc3ccccc3)oc2C1	ZINC22_96266061,EMOLS-id_44379956,PC-id_97525823	321.352	NLHAYNAEIMAEOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077606
NC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCC2	ZINC22_3377215,CoCoCo_3169726,BindingDB_PC-id_2495235,PD105342,CHEMBL272171,PC-id_2495235,MCULE-9711740761,GD-id_ZINC03377215,EMOLS-id_3153048	321.352	KHBZGSPGIADNNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077607
O=C([C@@H]1NCc2c1cnn2S(=O)(=O)C)OCc1ccccc1	PC-id_141411265	321.352	MMJOZARSNRXSQX-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077608
O=C(O)c1ccc(CNS(=O)(=O)c2cnc3n2CCC3)cc1	PC-id_120393587,EMOLS-id_72218098,MCULE-5787202770,ZINC22_262406489	321.352	KSWRCJYHFJKOPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077609
OC(=O)[C@H](c1ccccc1)NS(=O)(=O)c1cnc2n1CCC2	MCULE-8925978861,EMOLS-id_72218930,PC-id_120395621	321.352	MIONVZRWNYCOSE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077610
OC(=O)[C@@H](c1ccccc1)NS(=O)(=O)c1cnc2n1CCC2	PC-id_122069454	321.352	MIONVZRWNYCOSE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077611
S1Cc2c(noc2NC(=O)Nc2cc(OC)cc(OC)c2)C1	PC-id_49719390	321.352	GXXKWYNHGOFIFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077612
S1Cc2c(noc2NC(=O)Nc2cc(OC)c(OC)cc2)C1	PC-id_49720615	321.352	MJDHTJGXAOVWDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077613
S1Cc2c(noc2NC(=O)Nc2c(OC)cc(OC)cc2)C1	PC-id_49719378	321.352	PBOZCGQCNFOSSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077614
S1Cc2c(noc2NC(=O)Nc2c(OC)c(OC)ccc2)C1	PC-id_49719384	321.352	USOAXMPOUYANNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077615
n12ncnc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O	EMOLS-id_5514019,ZINC22_254508303,MCULE-4844374712	321.353	IAZFWYYWUADPKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077616
n12nc(nc1sc(=Cc1ccco1)c2=O)C=Cc1ccccc1	MCULE-7520399527,EMOLS-id_31274804	321.353	ZELFAWRSJCQJML-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-077617
O=c1/c(=Cc2cccc(Oc3ccccc3)c2)/sc2ncnn12	ZINC22_208389	321.353	IAZFWYYWUADPKB-XNTDXEJSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077618
O=c1/c(=C/c2cccc(Oc3ccccc3)c2)/sc2ncnn12	ZINC22_208390,EMOLS-id_45802910	321.353	IAZFWYYWUADPKB-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-077619
O=c1/c(=C/c2ccco2)/sc2nc(/C=C/c3ccccc3)nn12	EMOLS-id_45970434,ZINC22_27022436	321.353	ZELFAWRSJCQJML-LSHJULRISA-N	00000000101000110001000010000000000000000000000000000000	25-01-077620
c1(=O)n(C)c(C(=O)NCc2cn3c(SCC3)n2)cc(=O)n1C	ZINC22_95529739,EMOLS-id_48648502,MCULE-1611831645,PC-id_72934512	321.355	GLAIZEKLNHSDBV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-077621
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2922585,PC-id_68442048	321.355	JSRSWKDKMSVGQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077622
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)N	SCHEMBL2923371,PC-id_68442368	321.355	WXKFUBCIKKQLAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077623
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1nnn(c1)C	MCULE-9149854243,PC-id_45504249,EMOLS-id_30149707	321.355	JWJIJRLQHSWBEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077624
CC(=O)Nc1ncccc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99847466	321.355	ZMOUWKQMVXEEMR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077625
COC(=O)c1c(NC(=O)NCc2nccs2)nc2n1CCC2	EMOLS-id_319084044	321.355	LBVQHQLUNXALML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077626
O=C(c1ccccc1C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2916930,PC-id_68440111	321.355	KSGFKYXBSRBPKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077627
O=C(c1ccc(nc1)S(=O)(=O)N)Nc1n(C)nc2c1CCC2	EMOLS-id_257866497,MCULE-1810506287	321.355	NDSAKSDULKHZOI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077628
O=C(c1cn2c(n1)SCC2)N1CCC(c2nnc(O)o2)CC1	ZINC22_2325754461	321.355	DNYUVHQABGVJMW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077629
O=C(c1nn2c(c1)OCC2)Nc1nnc(s1)C1CCOCC1	EMOLS-id_99253402	321.355	RQBOKSQQVJMAAB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077630
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)Cc1ccccc1	PC-id_68440339,SCHEMBL2917524	321.355	AWGGJRLKFNLZTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077631
s1c2CCCc2nc1NC(=O)Cn1nc(c([N+](=O)[O-])c1C)C	PC-id_26723237	321.355	TVBWCQJJUUVXBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077632
s1c2CC[C@H](c2nc1NC(=O)c1nnn(c1)C)C(=O)OCC	PC-id_51894278	321.355	JWJIJRLQHSWBEM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077633
s1c2CC[C@@H](c2nc1NC(=O)c1nnn(c1)C)C(=O)OCC	PC-id_51894279	321.355	JWJIJRLQHSWBEM-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077634
s1c(C(=O)NC(c2n3CCCc3nn2)C)cc([N+](=O)[O-])c1C	PC-id_47074431	321.355	YKEFHFCTXAMBSZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077635
C/C=CC([C@@H]1C[C@@H](c2n1nc(n2)S(=O)CC(F)F)F)CC	PC-id_142577360	321.362	DLVNQUIOKOPHEU-KFEKQFOFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077636
OC(S1C(=Nc2n1cnc2)C(F)(F)F)C1CCC(CC1)C	SCHEMBL20743934	321.362	HDGCXAHNITVGRG-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-077637
OC(S1n2cncc2N=C1C(F)(F)F)C1CCC(C1)(C)C	SCHEMBL20744161	321.362	XQDLNVCCHDIBCN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-077638
CCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CCC2C(=O)O	PC-id_20253943,SCHEMBL10813237	321.37	RVEOKKAFAHBCAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077639
CCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CC=C2C(=O)O	PC-id_70449806,SCHEMBL10815128	321.37	WXPZKEZBHDCAJA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-077640
COC(=O)c1[nH]c2c(c1)C(CC2)Cc1cccc(c1)c1ccco1	SCHEMBL1004547,PC-id_59180189	321.37	XRIMJEKAHRVMOW-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-077641
s1c2c(CCC2)c(C(=O)NC2CC2)c1NC(=O)CCC(=O)[O-]	PC-id_8059465	321.371	RHECFLLLADFWLF-UHFFFAOYSA-M	00100010100000000000000010000000000000000000000000000000	25-01-077642
c12CN(Cc1nn(CC1CC1)c2C(=O)OC(C)(C)C)C(=O)OC	EMOLS-id_324346467,MCULE-4895112669	321.372	FNADRSFJBZFDQE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077643
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)OC)C(=O)OC	MCULE-1164386484,EMOLS-id_324344427	321.372	YFKLJYZEXCYECE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077644
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)O)C(=O)OCC	MCULE-2936465477,EMOLS-id_324343656	321.372	UOYWWWFHSNUUOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077645
O=C(NC1CCn2c1ncc2)CCC1CCC(O1)C1OCCO1	EMOLS-id_278358060	321.372	IUHHLKFSARNUCX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077646
c12CN(Cc1nn(CC1CC1)c2C#C)C(=O)OCc1ccccc1	EMOLS-id_324361058,MCULE-9986044093	321.373	UXOVQIRUSJQQOV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-077647
C1Cc2c(C1)[nH]nc2N(C1=CC=CCC1)C(=O)Oc1ccccc1	PC-id_89189097,SCHEMBL13860363	321.373	HZUMTORSCKJHNU-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-077648
CCOC(c1c(I)sc2c1CCC2)C	SCHEMBL19326103	322.206	GXTSFWCFXORGGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078222
Cc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)no1	EMOLS-id_328221055,MCULE-2366940914	321.373	BRDUMNWRFHGEED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077649
O(C(=O)c1nn(c2c1CC/C/2=C/c1ccccc1)CCC#N)CC	PC-id_18774638	321.373	QICLKINWDXPPIK-SQFISAMPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077650
O(C(=O)c1nn(c2c1CCC2=Cc1ccccc1)CCC#N)CC	PC-id_5111289	321.373	QICLKINWDXPPIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077651
c1(NC(=O)C=Cc2ccc(N(=O)=O)s2)sc2c(CCC2)n1	MCULE-6217097662	321.375	ZIHMCUOEFLAVAJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077652
CN1CCN(CC1)C(=O)c1oc2c(n1)CN(C2)C(=O)CN(C)C	PC-id_97525788	321.375	MPQLPKOORWMTKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077653
COC1CCC(CC1)C(=O)N1CCn2c1cc(n2)NC(=O)NC	PC-id_58441108,SCHEMBL12307464	321.375	QAZMQYVBIAZOKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077654
COC(=O)c1c(NC(=O)N2CCCN(CC2)C)nc2n1CCC2	EMOLS-id_319607489	321.375	MTZVVNNARSGBNC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077655
COC(=O)c1c(NC(=O)NC2CCCN(C2)C)nc2n1CCC2	EMOLS-id_319049833	321.375	LLUHTNOQNQCSCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077656
COC(=O)c1c(NC(=O)NC2CCN(CC2)C)nc2n1CCC2	EMOLS-id_319140760	321.375	KKIHTOLQSFFSTD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077657
O=C1N(CC(C1)C(=O)NC(c1n2CCCc2nn1)C)CCOC	PC-id_78870884	321.375	XPWXKUKFHDBNOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077658
O=C1N(CC(C1)C(=O)NCCc1n2CCCc2nn1)CCOC	PC-id_60445455	321.375	XMJSYLIESIORCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077659
O=C(CNC(=O)c1n[nH]c2c1CCC2)NCCN1CCOCC1	EMOLS-id_98921017	321.375	LVNJFUKWGHMQBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077660
O=C(N1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)OCC2)N(C)C	EMOLS-id_99657739	321.375	SQIIAWUPJZFTGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077661
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)s1	PC-id_84558762,EMOLS-id_181476718	321.375	ZIHMCUOEFLAVAJ-GQCTYLIASA-N	00000010100100000001000010000000000000000000000000000000	25-01-077662
s1c2c(CCC2)c(c1NS(=O)(=O)c1c[nH]ccc1=O)C#N	PC-id_64275633	321.375	ZCWHXAKPBIULJH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077663
s1c2c(CCC2)c(c1NS(=O)(=O)c1c[nH]c(=O)cc1)C#N	PC-id_43629445	321.375	UTYBWQKKJWGUSD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-077664
S(=O)(=O)(Nc1sc2c(CCC2)c1C#N)C1C=CC(=O)N=C1	PC-id_74886064	321.375	JUBDUMGLRHSRQF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-077665
S(=O)(=O)(Nc1sc2c(CCC2)c1C#N)C1C(=O)C=CN=C1	PC-id_77023349	321.375	PSJRLOCEKMVCLR-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-077666
C1Cc2ncc(n2C1)C(=O)N1CCC(C1)Nc1cccc(c1)C#N	PC-id_136554029,EMOLS-id_316927994,MCULE-3306565851	321.376	YVKQGJWDTLEVIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077667
c1(CN(C)C(=O)c2ccc(cc2)c2cc[nH]n2)c2CCCc2[nH]n1	MCULE-6143767011,ZINC22_91943324,EMOLS-id_46086945,PC-id_72923004	321.376	WQUFWVQYDOKJBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077668
c1(C(=O)NC(c2ccccc2)c2nccn2C)c2CCCc2[nH]n1	EMOLS-id_49893203,MCULE-1380142100,PC-id_77093972	321.376	HVDUDWKPZXQZTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077669
c1(C(=O)NC(c2ccccc2)Cn2ccnc2)c2CCCc2n[nH]1	EMOLS-id_82712251,PC-id_119063179,MCULE-5002153066	321.376	MSMYKYFCWXQPBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077670
c1(C(=O)NCc2ccccc2n2ccnc2C)c2CCCc2[nH]n1	EMOLS-id_49888539,MCULE-8209146388,ZINC22_215980273,PC-id_77091266	321.376	AZGLQORXCZZHRH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077671
c1(C(=O)NCc2cnn(Cc3ccccc3)c2)c2CCCc2[nH]n1	PC-id_77094940,EMOLS-id_49894887,MCULE-2144185654,ZINC22_120027223	321.376	LJJFMLMAPQXUSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077672
c1(C(=O)NC(C)c2ccccc2n2cccn2)c2CCCc2[nH]n1	MCULE-9281678252,EMOLS-id_49879308,PC-id_77085930	321.376	JZFNNAAEKLGASM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077673
c1(C(=O)NCCn2ccnc2c2ccccc2)c2CCCc2[nH]n1	EMOLS-id_323258037,MCULE-9833783395	321.376	LQRXIQXUWXQRGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077674
Cc1ccc(cc1)c1n[nH]c(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320192861,MCULE-9040847807	321.376	XRFCWDDIBGDMTR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077675
Cc1cc(ccc1CNC(=O)c1cnc2n1CCC2)n1cccn1	EMOLS-id_318827817	321.376	ARYWAIKWRWQMDG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077676
Cc1cc(ccc1CNC(=O)c1cnn2c1CCC2)n1cccn1	EMOLS-id_319168332	321.376	WUKSYOWKNDSLLN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077677
Cc1cc(ccc1CNC(=O)c1nn2c(c1)CCC2)n1cccn1	EMOLS-id_319993674,MCULE-7534454313	321.376	VESKKAKXKYLHKB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077678
Cc1cc(ccc1CNC(=O)c1n[nH]c2c1CCC2)n1cccn1	EMOLS-id_319209173	321.376	ITWBNJRSSFAATC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077679
Cc1ccccc1C(=O)N1Cc2c(Cn3ccnc3)nn(C)c2C1	PC-id_97405311,CHEMBL3554681	321.376	KZHTXRPQMGBLMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077680
Cc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)n1cncc1	EMOLS-id_318847344	321.376	CRTMNDDNNHFRJA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077681
Cc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)n1cncc1	EMOLS-id_318991549	321.376	OZJHYOALVYGZOE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077682
Cc1ccc(cc1)n1ncc(c1C)C(=O)NC1CCn2c1ncc2	MCULE-8628020358,EMOLS-id_316901736	321.376	ZIQQQKCYSWDUKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077683
Cc1cccc(CN2Cc3[nH]nc(COc4cccnc4)c3C2)n1	ZINC22_96260227,CHEMBL3553952,EMOLS-id_44372002,PC-id_97520304	321.376	AYLYMQBAGPMUDO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077684
Cc1ccc(n2cccc2)c(C(=O)NCc2nnc3n2CCC3)c1	MCULE-4388607374,PC-id_56822340,EMOLS-id_36941087,ZINC22_71849992	321.376	CPWGZOUAXMPLTI-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-077685
Cc1ccc(n2ncc(C(=O)N[C@H]3CCn4ccnc34)c2C)cc1	ZINC22_1460289353	321.376	ZIQQQKCYSWDUKA-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077686
Cc1ccc(n2ncc(C(=O)N[C@@H]3CCn4ccnc34)c2C)cc1	ZINC22_1460289366	321.376	ZIQQQKCYSWDUKA-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077687
Cc1cc(C)n(Cc2cccc(C(=O)N3CCn4nccc34)c2)n1	ZINC22_375565322,EMOLS-id_177243402,MCULE-6748290836	321.376	MSGCEAUDFVFAFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077688
Cc1ccn(c2ccc(C(=O)NCc3n[nH]c4c3CCC4)cc2)n1	EMOLS-id_317027138,MCULE-1898599437,ZINC22_1875279128,PC-id_145881369	321.376	OAZISXWWJNLNJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077689
Cc1ccn(n1)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319355188	321.376	QDLVMYMJAFKLHP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077690
Cc1ccn(n1)c1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320133240,MCULE-1043124550	321.376	NLEJXGWTYFYOLY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077691
Cc1cnn(Cc2ccc(C(=O)N=c3cc4n([nH]3)CCC4)cc2)c1	ZINC22_1857527510,MCULE-7160993814,PC-id_146104789,EMOLS-id_324034656	321.376	CSXZCOKGAULNAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077692
Cc1ncn(c2ccc(NC(=O)c3cc4n(n3)CCC4)cc2)c1C	ZINC22_562547498	321.376	IWEDSISQNMSVTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077693
Cc1ncn(c2ccc(NC(=O)[C@H]3Cc4nccn4C3)cc2)c1C	ZINC22_2325791552	321.376	OMYBFPBIFKCXQV-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077694
Cc1ncn(c2ccc(NC(=O)[C@@H]3Cc4nccn4C3)cc2)c1C	ZINC22_2325791553	321.376	OMYBFPBIFKCXQV-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077695
Cc1ncn(c2ccc(NC(=O)[C@H]3CCc4c[nH]nc34)cc2)c1C	ZINC22_1553932638	321.376	YHGBCNTYTUAONW-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077696
Cc1ncn(c2ccc(NC(=O)[C@@H]3CCc4c[nH]nc34)cc2)c1C	ZINC22_1553932640	321.376	YHGBCNTYTUAONW-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077697
Cc1ncn(c2ccc(NC(=O)[C@@H]3CCc4nccn34)cc2)c1C	ZINC22_2325791600	321.376	WSUXCOSHFJJJON-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077698
Cc1ncn(c2ccc(NC(=O)[C@H]3CCc4nccn34)cc2)c1C	ZINC22_2325791601	321.376	WSUXCOSHFJJJON-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077699
Cc1nn(c(c1)C(=O)NCc1cnc2n1CCC2)c1ccccc1	EMOLS-id_319909703,MCULE-2574494204	321.376	UCRYXWIZJBSFOX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077700
Cc1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)[nH]1	EMOLS-id_328221565,MCULE-4923795360	321.376	LYLSMLWHBAUFPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077701
Cc1n[nH]c(c1c1ccccc1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319696566	321.376	NFOIGLCWWUKAGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077702
C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1n1cccn1	ZINC22_153521843,PC-id_99697969	321.376	JZFNNAAEKLGASM-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077703
C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1n1cccn1	ZINC22_153521930,PC-id_99697970	321.376	JZFNNAAEKLGASM-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077704
Cn1cc(c(n1)c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319078710	321.376	CKVKJUSXYWATBK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077705
Cn1cc(c(n1)c1ccccc1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-8942651095,EMOLS-id_320093762	321.376	SBCSLEVZRORHCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077706
Cn1ccnc1[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_99947943,ZINC22_216190565	321.376	HVDUDWKPZXQZTA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077707
Cn1ccnc1[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_216190520,PC-id_99947940	321.376	HVDUDWKPZXQZTA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077708
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319875523,MCULE-1071895705	321.376	SQBGNIXMRSVQLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077709
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_319115308	321.376	ZZTCBZXCJFTJCA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077710
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318876022	321.376	FPRZVYBQIKFYOR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077711
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_319535778	321.376	TUVBFYUGTSPWPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077712
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_320148490,MCULE-5656290965	321.376	RYYPSQATDXPYNM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077713
Cn1ncc(c1)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320058535,MCULE-3666488117	321.376	KOEOSDKLPYFIKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077714
Cn1ncc(c1)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318871883	321.376	LIDFXFCEKMOSHM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077715
Cn1ncc(c1)c1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319535098	321.376	UMNSOVAICBUWDY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077716
Cn1nc(Cn2ccnc2)c2c1CN(C(=O)Cc1ccccc1)C2	PC-id_97410143,ZINC22_96090996,EMOLS-id_46189354	321.376	BTGHWAFPLSALGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077717
N#Cc1ccc(cc1)C1CC1C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318743239	321.376	GLCXRWOQBYMDSA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-077718
N#Cc1cccc(c1)CN1Cc2c(C1)c(n[nH]2)C(=O)N1CCCC1	PC-id_97461976	321.376	PMAUUSHOOQTUIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077719
N#Cc1ccc(cc1)N1CCCC(C1=O)NC1CCn2c1ncc2	EMOLS-id_318675157,MCULE-5617863082	321.376	JNYXKHDVZPCSDG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-077720
N#Cc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_316649356	321.376	VUAXEEPCTGOGOY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-077721
N#Cc1ccccc1N1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_101195227	321.376	ZPQCZTOYCQSHPC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-077722
N#Cc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2n(c1)CCC2	EMOLS-id_319633885	321.376	SEHYUNCOFMBLRG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-077723
N#Cc1ccc(cc1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_320047480,MCULE-5276369877	321.376	MPIUIDUNLWHCDZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-077724
N#Cc1cccc(N[C@H]2CCN(C(=O)c3cnc4n3CCC4)C2)c1	ZINC22_1616043692	321.376	YVKQGJWDTLEVIB-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077725
N#Cc1cccc(N[C@@H]2CCN(C(=O)c3cnc4n3CCC4)C2)c1	ZINC22_1616043693	321.376	YVKQGJWDTLEVIB-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077726
O=C(c1c2c(CCC2)[nH]n1)NC(c1ccccc1)Cn1nccc1	EMOLS-id_48239920,PC-id_75373256,MCULE-8322275497	321.376	BCCUVUYHVSEWMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077727
O=C(c1ccc(cc1)Cn1cccn1)NCc1cnc2n1CCC2	EMOLS-id_318893289	321.376	OWJVHPGFCAIPCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077728
O=C(c1ccc(c(c1)C)n1cccn1)NCc1cnc2n1CCC2	EMOLS-id_319075373	321.376	DXFBFXSYUYUVLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077729
O=C(c1cccc(c1)Cn1cncc1)NCc1cnc2n1CCC2	EMOLS-id_318988512	321.376	FJRDMTOSBAAJDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077730
O=C(c1ccc(cc1)Cn1cncc1)NCc1cnc2n1CCC2	EMOLS-id_319670120	321.376	OGNSNAWDRIVUPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077731
O=C(c1ccc(cc1)n1nccc1C)NCc1cnc2n1CCC2	EMOLS-id_318974901	321.376	XIRZJYAUHWDDHG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077732
O=C(c1ccc(cc1)n1nccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_320238445,MCULE-4879824202	321.376	MMIMTMFCFRFXDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077733
O=C(c1cccn1Cc1ccncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318910531	321.376	MLYGFLKHHLKQML-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-077734
O=C(c1cc(nn1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319506450	321.376	WOAJATXKCAFOJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077735
O=C(c1ccn(n1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_320005745,MCULE-5362982704	321.376	MQEVJNBOGVFTQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077736
O=C(c1ccn(n1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-4105735705,EMOLS-id_320164025	321.376	XYGVYGCYBSNMLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077737
O=C(c1cnn2c1CCC2)NCCn1cncc1c1ccccc1	EMOLS-id_320152066,MCULE-1493828163	321.376	YHXKZXCBAQCNTR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077738
O=C(c1cnn(c1c1ccccc1)C)NCc1cnc2n1CCC2	EMOLS-id_318834947	321.376	QOSIFTICFYFSSV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077739
O=C(c1cnn(c1)c1ccccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318994230	321.376	CAYFKTGBJGYLAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077740
O=C(c1cnn(c1c1ccccc1)C)NCc1n[nH]c2c1CCC2	MCULE-5460053308,EMOLS-id_319836283	321.376	UIFRCPMOUSYSCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077741
O=C(c1cnn(c1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319123603	321.376	YXJLJZUVWVZTKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077742
O=C(c1cnn(c1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319461083	321.376	UQWVEPCHBPFALV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077743
O=C(c1cnn(c1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319997402,MCULE-3299955019	321.376	SYUXZZKCIBBMCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077744
O=C(c1cnn(c1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320136843,MCULE-1037644634	321.376	ANMQOSPNMKNKAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077745
O=C(c1nc([nH]c1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319076858	321.376	YYKMNCUWLKFABF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077746
O=C(c1nc([nH]c1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320089015,MCULE-6834388082	321.376	PBUXFJCYRJWTQJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077747
O=C(c1[nH]c2c(c1)CCC2)NCc1nnc(n1C)c1ccccc1	EMOLS-id_320266278,MCULE-2040049778	321.376	TXGLJLHAGSCOED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077748
O=C(c1[nH]nc(c1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319186677	321.376	UXPZLPNFMIEMKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077749
O=C(c1[nH]nc(c1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319638916	321.376	MPNUSQNAQPKBLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077750
O=C(Cc1ccc(cc1)n1cccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319592746	321.376	PYEYHFMRUAOEFU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077751
O=C(Cc1ccc(cc1)n1cncc1)NCc1cnc2n1CCC2	EMOLS-id_319944009,MCULE-4392826059	321.376	RASNLFTUMUUTDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077752
O=C(Cc1ccn(n1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318884624	321.376	FARBBQLBPSHWTL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077753
O=C(Cc1ccn(n1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320185524,MCULE-2139065660	321.376	JHJGOTBMWSPTEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077754
O=C(Cc1cnn(c1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319722998	321.376	UYALUACPLXTFBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077755
O=C(Cc1cnn(c1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319672212	321.376	IETUNZJHOQBIKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077756
O=C(NCCc1nnc2n1CCC2)c1ccc(n2cccc2)cc1	PC-id_53524194,EMOLS-id_36260373,MCULE-2502885064,ZINC22_54562532	321.376	KDHLWRKUWYKILX-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-077757
O=C(N[C@H](Cn1cccn1)c1ccccc1)c1n[nH]c2c1CCC2	PC-id_97216032,ZINC22_95400560	321.376	BCCUVUYHVSEWMQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077758
O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1n[nH]c2c1CCC2	ZINC22_95400561,PC-id_97216033	321.376	BCCUVUYHVSEWMQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077759
O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1n[nH]c2c1CCC2	ZINC22_426444946	321.376	MSMYKYFCWXQPBM-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077760
O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1n[nH]c2c1CCC2	ZINC22_426444947	321.376	MSMYKYFCWXQPBM-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077761
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)CN1CCN(CC1)C	PC-id_58440759,SCHEMBL12307467	321.378	URODOXKIHNVVNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077762
Cc1cc(NCCc2nnc3n2CCC3)nc(c2ccncc2)n1	MCULE-2636828193,PC-id_91642630,EMOLS-id_50320006,ZINC22_170625589	321.38	NYBBSMVSVZNDIO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-077763
Cc1nc(NCc2nnc3n2CCC3)cc(Nc2ccccc2)n1	PC-id_139019790,ZINC22_891657682	321.38	ZQBJHIHRGKUJTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077764
N#CCCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C)C)CC	PC-id_102010483	321.38	PNDWLWNDCDQJGD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-077765
C#CCN(c1sc2c(c1C(=O)OCC)CCC2)CCC(=O)O	PC-id_95508804	321.391	FADHHWAUUJPWAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077766
COc1c(sc2c1CCC2)C(=O)NCCC(c1ccco1)O	PC-id_91956503	321.391	FVPPVSAIBAXQKA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-077767
O=C(C1OCCOC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170449	321.391	QRMKSDQLCWINJY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-077768
Cc1cccc(S(=O)(=O)N2Cc3nc(CN(C)C)oc3C2)c1	EMOLS-id_44372064,PC-id_97520329,ZINC22_96260253	321.395	NXQLJFQYDBVMHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077769
CCc1cc(c(cc1OC)C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319646078	321.395	ONQAXMAESXXPGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077770
CC(C)(C)OC(=O)NCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327975095,MCULE-7394059571	321.395	KFVGYAWDURLFFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077771
CCCOc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318190457	321.395	PNHQIFSSAHDGAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077772
CCOc1ccc(c(c1)C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319937262,MCULE-9301101092	321.395	YLCSQWDTLMDNJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077773
COc1ccc(cc1)CCS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319221010	321.395	OESSJPGTYGCLPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077774
COc1ccc(cc1C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320235660,MCULE-4352028469	321.395	QSVBMDNKYAZGTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077775
COc1ccc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_318821905	321.395	IDNWQOITDSDNBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077776
COc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319105013	321.395	HENHKQMJBNHAOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077777
COc1ccc(cc1S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319251591	321.395	RJLQECROXUTKAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077778
COc1cc(C)c(cc1CC)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318193007	321.395	SRNYWYOTSFCFJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077779
COc1cc(C)c(cc1C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316655406	321.395	JOIACNMFQVHQDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077780
COc1c(C)cc(cc1C)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-8616935615,EMOLS-id_316461075	321.395	DLOODXRVIKDKFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077781
COCCc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316656174	321.395	XJLVVQAGIFZGFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077782
COC(CS(=O)(=O)N1CCn2c1ncc2)Cc1ccccc1	EMOLS-id_318117667	321.395	DWQHLYWZTBEWKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077783
O=C(CN1CCCCC1=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_31934554,MCULE-3600617209,PC-id_45818627	321.395	XFZMKHYWQRLRMS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077784
Cc1sc2c(n1)CN(C2)C(=O)c1ccc(cc1)c1ccncc1	PC-id_122548389,SCHEMBL18085953	321.396	AOKNTCWLYREGGZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-077785
c12CN(Cc1cnn2CCO)C(C)C(=O)Nc1scc(C)n1	PC-id_91831692,EMOLS-id_55625126,MCULE-5490236993	321.398	ORVKOBOIIFPGMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077786
Cc1cnn(c1)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99528036	321.398	JQIXTVORKYCENM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077787
Cc1csc(NC(=O)[C@H](C)N2Cc3cnn(CCO)c3C2)n1	ZINC22_252495497	321.398	ORVKOBOIIFPGMN-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-077788
Cc1csc(NC(=O)[C@@H](C)N2Cc3cnn(CCO)c3C2)n1	ZINC22_252495498	321.398	ORVKOBOIIFPGMN-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077789
Cc1csc(=O)n1CCC(=O)N(C)Cc1nnc2n1CCC2	ZINC22_65390735,EMOLS-id_35706580,MCULE-5198879530,PC-id_53499644	321.398	HBFMFJUKXNMKJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077790
Cc1csc(=O)n1CCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_97073611,ZINC22_89702595	321.398	MYACCCSDCBWZSZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-077791
Cc1csc(=O)n1CCC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_89702596,PC-id_97073612	321.398	MYACCCSDCBWZSZ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077792
Cc1noc([C@@H](C)NC(=O)Nc2nc3c(s2)CCC3(C)C)n1	ZINC22_333144230	321.398	CUGQMWOFRVFQGM-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077793
Cc1noc([C@H](C)NC(=O)Nc2nc3c(s2)CCC3(C)C)n1	ZINC22_333144234,PC-id_164634001	321.398	CUGQMWOFRVFQGM-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077794
CC(n1ncc(c1)NS(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100965717	321.398	BSVQRMTZXQRICC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077795
Cn1ccnc1C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100207003	321.398	KMCWFRNILVZGAB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077796
Cn1cc(S(=O)(=O)N2CCn3nccc23)c(C2CCCC2)n1	EMOLS-id_316952054,ZINC22_903630102,MCULE-7435643260	321.398	KERBCLORSUZMHV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077797
Cn1ncc2c1CN(C2)S(=O)(=O)c1cnn(c1)CC1CCC1	EMOLS-id_318948182	321.398	NKJRSVSAUYUJTA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077798
CN(c1ccc(cn1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319412067	321.398	OOIZSLVCBRLJJP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077799
COc1nn(C)cc1NC(=O)NCCc1nc2c(s1)CCC2	MCULE-7534206598,ZINC22_931051422,EMOLS-id_316307845	321.398	LOIUZQMRXRFFLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077800
OCCNC(=O)Cn1ncc(c1)NCc1sc2c(n1)CCC2	PC-id_110017141	321.398	HVRRBQZHNIALOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077801
O=C(NC(c1nnc2n1CCC2)C)CCn1c(C)csc1=O	EMOLS-id_45751128,MCULE-3180656252,PC-id_71896175	321.398	MYACCCSDCBWZSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077802
O=C(NC(c1onc(n1)C)C)Nc1sc2c(n1)C(CC2)(C)C	MCULE-7443226353,EMOLS-id_102001923	321.398	CUGQMWOFRVFQGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077803
O=C(NCC(c1ccsc1)(O)C)NCc1nnc2n1CCC2	PC-id_111450399	321.398	GAGQJPXEICEZHY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077804
O=S(=O)(c1cnc2n1CCC2)N1CCCC(C1)c1ncc[nH]1	EMOLS-id_100208893	321.398	CRSVSJNMFZVBPB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077805
O=S(=O)(c1cnc2n1CCC2)N1CCCCC1c1ncc[nH]1	EMOLS-id_100211239	321.398	HFFKCEFSXQCOTJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077806
O=S(=O)(c1cnc2n1CCC2)N1CCCCC1c1n[nH]cc1	EMOLS-id_98570290	321.398	AUAGKDVIFVIQFO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077807
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)n1cncc1	EMOLS-id_100188528	321.398	NYYDJMFTAKOWTE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077808
O=S(=O)(c1cnc2n1CCC2)Nc1cnc(nc1)C(C)(C)C	EMOLS-id_100459559	321.398	CFUKRJCEJZPSPT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-077809
O=S(=O)(c1cnc2n1CCC2)Nc1n[nH]c(c1)C1CCCC1	EMOLS-id_97705277	321.398	RCDMVPYPURCKMN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-077810
CCCc1nnc(s1)NC(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4889366,MCULE-7716702271,EMOLS-id_31946191,PC-id_45821323	321.401	COGGQRJACAZISA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077811
CC(Cc1nsc(n1)NC(=O)NCc1nnc2n1CCC2)C	MCULE-5102898263,EMOLS-id_320020686	321.401	GWYIDZMYWNMMGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077812
c12CS(=O)Cc1sc(C(=O)NCc1ccc(cc1)OC)c2	EMOLS-id_11332022,ChEMBL-DNDi_CHEMBL1342706,MCULE-1754390820,CHEMBL1342706,PC-id_3466417	321.414	NHMMSFCNBXDWOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077813
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_81665,Chemmine_6589,CHEMBL1322025,ZINC22_64390,SPECS-id_AE-848/34090069,STOCK2S-97271,BAS-00486637,ChEMBL-DNDi_CHEMBL5580681,PC-id_391239,NSC690136,MCULE-6384064215,EMOLS-id_654318	321.414	AVLHWHZPFYAHTA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077814
c1(NC(=O)Cc2cccs2)sc2c(CCC2)c1C(=O)OC	ZINC22_16580303,EMOLS-id_12179263,PC-id_17172887,TIMTEC70681,MCULE-9842878668,CoCoCo_1067562	321.414	BCQBJZVGIWIJRG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077815
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318705870	321.414	CXRVPAHAKAHOEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077816
CC(c1ccccc1)NC(=O)c1sc2c(c1)CS(=O)(=O)C2	ChEMBL-DNDi_CHEMBL1543279,CHEMBL1543279,PC-id_20882723	321.414	ICHYIYRGUPPLGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077817
C[C@H](c1ccccc1)NC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175348	321.414	ICHYIYRGUPPLGT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077818
C[C@@H](c1ccccc1)NC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175349	321.414	ICHYIYRGUPPLGT-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-077819
COc1ccc(CNC(=O)c2cc3c(s2)C[S@@](=O)C3)cc1	CoCoCo_2684472,ZINC22_4670321,PC-id_92226546	321.414	NHMMSFCNBXDWOC-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077820
COc1ccc(CNC(=O)c2cc3c(s2)C[S@](=O)C3)cc1	ZINC22_4670322,CoCoCo_2684471,PC-id_92226547	321.414	NHMMSFCNBXDWOC-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077821
COC(=O)c1scc(c1NC(=O)c1sc2c(c1)CCC2)C	PC-id_114916329	321.414	JVERJUVXUTWHPU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077822
CS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	MCULE-3613681001,PC-id_51072509,EMOLS-id_31839914,ZINC22_58296711	321.414	VSXKVYHWGWJSDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077823
Nc1sc2c(c1C(=O)c1ccc(cc1)S(=O)(=O)C)CCC2	PC-id_68896136,SCHEMBL4057829	321.414	MWJFDPBEUVVMNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077824
O=C(c1sc2c(c1)CCC2)Nc1ccccc1S(=O)(=O)C	EMOLS-id_318527771	321.414	XEKJRNLHEJRIJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077825
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)S(=O)(=O)C	PC-id_9071495,EMOLS-id_318381361	321.414	PBYDGZMSNDOSJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077826
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1ccccc1C	EMOLS-id_318455064	321.414	JVLZIJQQEHUMCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077827
O=C(NCCc1ccccc1)c1cc2CS(=O)(=O)Cc2s1	PC-id_20882724,EMOLS-id_16064907,MCULE-3261620324	321.414	RAFRJOKGUOMAKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077828
s1c2CCCc2cc1C(=O)c1ccc(NS(=O)(=O)C)cc1	PC-id_43463128	321.414	NSPPBBPJCZJJAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077829
s1c2CCCc2cc1C(=O)Nc1sc(c(c1C(=O)O)C)C	PC-id_29778971	321.414	HRGXVXKIOFWREW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077830
s1c2CCCc2cc1C(=O)Nc1sc(CC)cc1C(=O)O	PC-id_63616185	321.414	GCWDPXQWSVUROC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077831
s1c2c(CCC2)c(c1NC(=O)c1c(sc(c1)C)C)C(=O)O	PC-id_43359884	321.414	FGJDPQBJCUWBSP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077832
s1c2c(CCC2)c(c1NC(=O)c1sc(c(c1)C)C)C(=O)O	PC-id_43359873	321.414	UVWAMGGQRXSUAE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077833
s1c2c(CCC2)c(c1NC(=O)c1sccc1CC)C(=O)O	PC-id_61389516	321.414	QKKAOTDOAPUNCE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077834
s1c2c(CCC2)c(c1NC(=O)c1sc(CC)cc1)C(=O)O	PC-id_43359886	321.414	QZZYTWBQWIZZGC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077835
s1c2c(CCC2)c(c1NC(=O)CCc1sccc1)C(=O)O	PC-id_43359892	321.414	LSRMXZYTZNELFU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077836
c12CN(Cc1nn(CC1CCCCC1)c2O)C(=O)OC(C)(C)C	MCULE-4165210578,EMOLS-id_324341353	321.415	HRCDCPAKKIPZJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077837
Cc1ccc(CNC(=O)c2cc3CS(=O)(=O)Cc3s2)cc1	MCULE-3862403853,EMOLS-id_16064901,PC-id_20882721	321.415	CHZKFPBHOBCZDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077838
CC(=O)c1c(sc2c1CCC2)NS(=O)(=O)c1ccccc1	SCHEMBL15199396,PC-id_89759751	321.415	HXUVWCWJZNVWSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077839
OC(=O)CC(c1cccs1)NC(=O)c1sc2c(c1)CCC2	MCULE-3386667280,PC-id_45350555,EMOLS-id_30666569	321.415	HHVLHRYPYALHDG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077840
O=C(OC(C)(C)C)NC(c1nc2c([nH]1)CCC2C)C1COCC1	PC-id_102970170	321.415	OCGBIOSVTCPKRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077841
O=C(O)C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1	PC-id_92448176,ZINC22_13387988	321.415	HHVLHRYPYALHDG-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077842
O=C(O)C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1	PC-id_92448177,ZINC22_13387990	321.415	HHVLHRYPYALHDG-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-077843
s1c2CCCc2cc1C(=O)OCC(=O)NCc1sccc1	PC-id_4371176	321.415	PJLZEHNUFXMMMI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077844
c1(C(=O)N(CC#Cc2ccccc2)CC(C)C)c2CCCc2[nH]n1	EMOLS-id_31621193,ZINC22_67867933,MCULE-5173434314,PC-id_46995994	321.416	UDZUOEAWOBQPNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077845
CCC1CCc2c1c(/C=C
/N=C(C=C1OC)c1ccc[nH]1)[nH]c2C	SCHEMBL3875721,PC-id_135506602	321.416	CFLHWSIDKNXWQJ-LICLKQGHSA-N	00000011110000000000100010000000000000000000000000000000	25-01-077846
CCC1CCc2c([nH]c(c12)C=c1c(cc(=C2C=CC=N2)[nH]1)OC)C	PC-id_87588574	321.416	ZYDUOIGXVREOHA-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-077847
N1=C(C=C(/C/1=Cc1[nH]c(c2c1C(CC)CC2)C)OC)c1ccc[nH]1	SCHEMBL3875724,CNP0166569,PC-id_136414762	321.416	CFLHWSIDKNXWQJ-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-077848
O(c1c(=Cc2[nH]c(c3c2C(CC3)CC)C)[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_9944989	321.416	ZYDUOIGXVREOHA-YDKYWPBKSA-N	00000011110000000000100010000000000000000000000000000000	25-01-077849
O(C1=CC(=N/C/1=C/c1n(c(c2c1CCC2)C)C)c1n(ccc1)C)C	PC-id_59896555	321.416	LZLBZNKEMRVFTO-GZTJUZNOSA-N	00000011110000000000100010000000000000000000000000000000	25-01-077850
O(C1=CC(=NC1=Cc1n(c(c2c1CCC2)C)C)c1n(ccc1)C)C	PC-id_72590639	321.416	LZLBZNKEMRVFTO-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-077851
c12SCCn1cc(CNC(=O)C=Cc1cc(cs1)CO)n2	MCULE-5690602653	321.418	DPYXCXMBADIMCS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077852
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCCC#N	MCULE-3006292487,EMOLS-id_186656504	321.418	YAEQZFUQKSRPNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077853
CC(C(c1nnc2n1CCC2)NC(=O)N(CC(C1CC1)O)C)C	EMOLS-id_48256863,PC-id_75379179,MCULE-9946627726	321.418	ZXJKAYBLCQKVCJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077854
CC(C)(C)[C@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@H]1O	PC-id_97341910,ZINC22_95996635	321.418	RCHMUNURRFYHBU-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077855
CC(C)(C)[C@@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@@H]1O	ZINC22_95996632,PC-id_97341907	321.418	RCHMUNURRFYHBU-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077856
CC(C)(C)[C@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@@H]1O	ZINC22_95996633,PC-id_97341908	321.418	RCHMUNURRFYHBU-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077857
CC(C)(C)[C@@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@H]1O	ZINC22_95996634,PC-id_97341909	321.418	RCHMUNURRFYHBU-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077858
CC(C)[C@H](NC(=O)N(C)C[C@H](O)C1CC1)c1nnc2n1CCC2	PC-id_97223722,ZINC22_95411268	321.418	ZXJKAYBLCQKVCJ-JSGCOSHPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077859
CC(C)[C@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1nnc2n1CCC2	PC-id_97223724,ZINC22_95411270	321.418	ZXJKAYBLCQKVCJ-OCCSQVGLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077860
CC(C)[C@@H](NC(=O)N(C)C[C@H](O)C1CC1)c1nnc2n1CCC2	ZINC22_95411269,PC-id_97223723	321.418	ZXJKAYBLCQKVCJ-GXTWGEPZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077861
CC(C)[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1nnc2n1CCC2	ZINC22_95411271,PC-id_97223725	321.418	ZXJKAYBLCQKVCJ-TZMCWYRMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077862
CC(CN1CCN(C(C1)C)C(=O)NC1CC(n2c1ncc2)C)O	EMOLS-id_101574825	321.418	LAWONPTXHXEESO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077863
CC(CN(C(=O)NCc1nnc2n1CCC2)C1CCCCC1)O	MCULE-2347298941,EMOLS-id_48837572,PC-id_75457867	321.418	WKABEPXFNPSXRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077864
CCCO[C@H]1C[C@H](CC[C@@H]1N)C(=O)NCc1nnc2CCCn12	ZINC22_1857741446,PC-id_154823479,EMOLS-id_324333977,MCULE-8515198514	321.418	SWWJUAKYGZNJKX-AVGNSLFASA-N	00000010100010000001000010000000000000000000000000000000	25-01-077865
C=CC(=O)N(c1csnc1OC)Cc1sc2c(n1)CCC2	MCULE-1540606425	321.418	MSSWCMXRJPQRIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077866
C[C@@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1nnc2n1CCC2	PC-id_97612329,ZINC22_96496897	321.418	VKPBXDDSEMCENN-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077867
C[C@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1nnc2n1CCC2	ZINC22_96496895,PC-id_97612328	321.418	VKPBXDDSEMCENN-WDEREUQCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077868
C[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1nnc2n1CCC2	ZINC22_96496899,PC-id_97612330	321.418	VKPBXDDSEMCENN-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077869
C[C@@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1nnc2n1CCC2	ZINC22_96496901,PC-id_97612331	321.418	VKPBXDDSEMCENN-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-077870
C[C@@H](O)CN(C(=O)NCc1nnc2n1CCC2)C1CCCCC1	PC-id_97308159,ZINC22_95942732	321.418	WKABEPXFNPSXRE-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077871
C[C@H](O)CN(C(=O)NCc1nnc2n1CCC2)C1CCCCC1	ZINC22_95942731,PC-id_97308158	321.418	WKABEPXFNPSXRE-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077872
CCN(C1CCOC(C1)(C)C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_99625662	321.418	ABPVEKZOPUTSGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077873
CCOC(=O)N1CCC(CC1)C(NC1CC(n2c1ncn2)C)C	EMOLS-id_279085999	321.418	ZOOKYNCDAIYWLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077874
CN(CC(=O)Nc1nc2c(s1)CCC2)C(=O)c1cccs1	PC-id_51077986,MCULE-5325631183,EMOLS-id_33304703,ZINC22_46169684	321.418	AKHSXUQLFONORM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077875
CN(CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C)C	BindingDB_PC-id_46228466,PC-id_46228466	321.418	ZCNCKHAAOYENHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077876
COCCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1	EMOLS-id_48262249,MCULE-7344021827,ZINC22_95416254,PC-id_75381155	321.418	XEWHUFIJCXWMGB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077877
N#Cc1c(NC(=O)C(=S)N2CCOCC2)sc2c1CCC2	PC-id_4072121,SPECS-id_AN-153/I133609,MCULE-8615460506	321.418	STMCEAOQCNLHFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077878
O1C(CN(CC1C)C(=O)NC(c1n2CCCc2nn1)C(C)C)C	PC-id_60273836	321.418	WAFBDSMYMCYJPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077879
O1C(C(NC(=O)NC(c2n3CCCc3nn2)C)CC1(C)C)(C)C	EMOLS-id_49136356,MCULE-5460827537,PC-id_84597829	321.418	VKPBXDDSEMCENN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077880
OC1C(C(C)(C)C)CCN(C1)C(=O)NCc1n2CCCc2nn1	EMOLS-id_48819492,MCULE-4674291610,PC-id_75449909	321.418	RCHMUNURRFYHBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077881
OCc1csc(/C=C/C(=O)NCc2cn3CCSc3n2)c1	EMOLS-id_232889704,ZINC22_828835559	321.418	DPYXCXMBADIMCS-OWOJBTEDSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077882
OCCC(C1CCCCC1)NC(=O)NCc1nnc2n1CCC2	PC-id_112314840	321.418	VVUMXQOEENGEDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077883
OCCN1[C@H](C)CN(C[C@@H]1C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572842	321.418	BUKLZNFXLVAJPF-AKJUYKBHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077884
OC(CN(C(=O)c1n[nH]c2c1CCC2)C)CN1CCN(CC1)C	PC-id_111695350	321.418	WVOIKULFKBMXFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077885
O=C(N1CCC(C1)NC(c1nnc2n1CCC2)C)OC(C)(C)C	PC-id_103820924	321.418	YOVKKBRIRGVHKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077886
O=C(NC1CC(n2c1ncc2)C)NCCN1CCOC(C1)(C)C	EMOLS-id_101383654	321.418	NFVFVJIEVRSGEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077887
O=C(NC1CC(n2c1ncc2)C)NCC(N1CCOCC1)(C)C	EMOLS-id_101394799	321.418	RURCSXJCVMDYBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077888
O=C(NC1CC(n2c1ncc2)C)NCCN1CCOCC1(C)C	EMOLS-id_101399356	321.418	PNETYEVBPDMYIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077889
O=C(NC1CC(n2c1ncc2)C)NC(C(N1CCOCC1)C)C	EMOLS-id_101400577	321.418	MCVMHSFYVTUCDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077890
O=C(NC1CCOC(C1)C(C)(C)C)NCc1nnc2n1CCC2	EMOLS-id_98263795	321.418	RKEIAVXLQQEIPW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077891
O=C(Nc1csnc1C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319317023	321.418	BGBHNGZXBXXSMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077892
O=C(NC(c1nnc2n1CCC2)C)NC1CCOC(C1)C(C)C	EMOLS-id_98684705	321.418	DIYAZOFWQUVSFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077893
O=C(NC(CN1CCOCC1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101702303	321.418	XDIONSXJSCICEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077894
O=C(NCCOC1CCCCCC1)NCc1nnc2n1CCC2	EMOLS-id_49028165,ZINC22_96411407,PC-id_72009762,MCULE-8002811640	321.418	NWUFFSVGEVPFPL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077895
O=C(OC(C)(C)C)NC1CC(C1)NC(c1nnc2n1CCC2)C	PC-id_103759520	321.418	VFUAPASLALLIGV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-077896
O(C(=O)N1Cc2[nH]c(nc2C1)CN1CCN(CC1)C)C(C)(C)C	PC-id_83949654	321.418	LECGIKGZPFKVCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077897
s1c2CCCc2c(c1NC(=O)C(=O)NCCC[NH+](C)C)C#N	PC-id_8029577	321.418	VCCBUHPKNKFGIS-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-077898
s1c2c(CCC2)c(c1NC(=O)N1CC[NH+](CC1)CCO)C#N	PC-id_8030418	321.418	YCTNRWKPYFNCML-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-077899
s1c2c(CCC2)c(c1NC(=S)n1ncc(c1)C)C(=O)OC	PC-id_20178263	321.418	SXSWBXYDRMJYET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077900
s1c2CCCc2nc1NC(=O)CCNC(=O)c1sccc1	PC-id_33039941	321.418	KQLXWZSCBFNUEW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077901
s1c2CCCc2nc1NC(=O)C(NC(=O)c1sccc1)C	PC-id_43054504	321.418	SJLMOPFJULCELQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077902
c1(CN(C)Cc2ccccc2Cn2cccn2)c2CCCc2[nH]n1	EMOLS-id_49659032,PC-id_74239965,MCULE-7296323831,ZINC22_97575041	321.419	DYWLFSXZMIKUGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077903
Cc1nc(c2cccc(NCc3c4c(nn3C)CCC4)c2)[nH]c1C	PC-id_146145337,ZINC22_1875283871	321.419	GYHCGTNDVYMMOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-077904
N#Cc1cccc(c1)CN1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_318705308,MCULE-2141789938	321.419	JOLCZUOGEMQCHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-077905
N#Cc1ccc(cc1)N1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318702521,MCULE-5230042768	321.419	ZRKLMBJECLZDDI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-077906
N#CC1CCCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318637588,MCULE-7011769987	321.419	LEFVMAHJMNTFFA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-077907
Cc1cc(N)nc(SCC(=O)Nc2nc3c(s2)CCC3)n1	ZINC22_53563001,MCULE-9717718679,EMOLS-id_36923268,PC-id_56815890	321.421	KPVAOYKDQWOMSS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-077908
CCNC(=NCc1nnc2n1CCC2)NCCN1CCOCC1	PC-id_111020233	321.421	NXNXQXPWZBWNLJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077909
CCNC(=NCc1nnc2n1CCC2)NCC(=O)NC(C)(C)C	PC-id_111020319	321.421	OOXCKFSLMNTXHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077910
O=C(c1sc(nc1N)NC1CC1)Nc1sc2c(n1)CCC2	PC-id_116664027	321.421	QZJDCNIFDMRHFD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-077911
c12CCCc1c(C(=O)OCC)c(NC(=O)CC1CCCC1)s2	MCULE-7996603277,EMOLS-id_25508436,PC-id_46094929	321.434	KSOHWDZMVRVRKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077912
c1(NC(=O)C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_86671,EMOLS-id_1235826,Chemmine_26181,CK1330952,ChEMBL-DNDi_CHEMBL5619819,BAS-00518414,STOCK1S-26102,SPECS-id_AG-205/36957227,MCULE-5250620185,ZINC22_313943,PC-id_804885	321.434	NJRPGIPTMJWZQV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077913
c1(NC(=O)CCC2CCCC2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2368205,ChEMBL-DNDi_CHEMBL5691573,MCULE-7426655532,PC-id_868234,CoCoCo_682771,TIMTEC319577,ZINC22_433081	321.434	MUDIYOZZQZAACJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077914
CC(C(=O)NC1CCCCC1)OC(=O)c1sc2c(c1)CCC2	PC-id_17450128,EMOLS-id_13487726,MCULE-2975039777	321.434	OHXMMYKLBFQNPG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077915
C[C@H](C(=O)NC1CCCCC1)OC(=O)c1sc2c(c1)CCC2	CoCoCo_2840885,PC-id_40925132	321.434	OHXMMYKLBFQNPG-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077916
C[C@@H](C(=O)NC1CCCCC1)OC(=O)c1sc2c(c1)CCC2	CoCoCo_2840886,PC-id_40925130	321.434	OHXMMYKLBFQNPG-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-077917
CCOC(=O)c1c(NC(=O)CCC2CCC2)sc2CCCc12	EMOLS-id_328142280,MCULE-2318604449	321.434	LQNIWEFDBAQKGS-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-077918
COC(=O)C1(CCCCCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_112814368	321.434	PRLXVJZGWWXGTB-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-077919
s1c2CCCc2cc1C(=O)OCC(=O)NC1C(CCCC1)C	PC-id_3681793	321.434	TZMCMXIPRIXHDR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077920
s1c2CCCc2cc1C(=O)OCC(=O)NC1CCC(CC1)C	PC-id_7238845	321.434	JBSQDVZAGIXYEJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077921
s1c2CCCc2cc1C(=O)OCC(=O)NC1CCCCCC1	PC-id_4305723	321.434	WJVLTSOFYDWTQX-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-077922
s1c2CCCc2cc1C(=O)OCC(=O)NCC1CCCCC1	PC-id_7291964	321.434	ZDBZJJZXRVKBMQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077923
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H]1[C@@H](CCCC1)C	PC-id_7291866	321.434	TZMCMXIPRIXHDR-DGCLKSJQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077924
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H]1[C@H](CCCC1)C	PC-id_7291867	321.434	TZMCMXIPRIXHDR-WCQYABFASA-N	00000010100010000000000010000000000000000000000000000000	25-01-077925
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H]1[C@@H](CCCC1)C	PC-id_7291868	321.434	TZMCMXIPRIXHDR-YPMHNXCESA-N	00000010100010000000000010000000000000000000000000000000	25-01-077926
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H]1[C@H](CCCC1)C	PC-id_7291869	321.434	TZMCMXIPRIXHDR-AAEUAGOBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077927
C1Cc2c(n(c(=O)n2C1)CCCCNCCc1cccs1)O	PC-id_91930429,BindingDB_PC-id_91930429	321.438	BINVZIGBBVTDTQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077928
c1(NC(=O)CN2CCCCCC2)sc2c(CCC2)c1C(=O)N	MCULE-3630822325,ZINC22_90011,CoCoCo_3562684,PC-id_705146,EMOLS-id_3062443	321.438	KPNGPEWCPNHAGO-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-077929
C[C@@]1(C2CC2)CN(CC(=O)Nc2nc3c(s2)CCC3)CCO1	ZINC22_661168128	321.438	MJLKBHIFZYGQPP-INIZCTEOSA-N	00100010100010000001100010000000000000000000000000000000	25-01-077930
C[C@]1(C2CC2)CN(CC(=O)Nc2nc3c(s2)CCC3)CCO1	ZINC22_661168129	321.438	MJLKBHIFZYGQPP-MRXNPFEDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-077931
CC1CCCN(C1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-7035958603,EMOLS-id_48931687,PC-id_17443578	321.438	XTNNBRJTLWLMIF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077932
CC1CCN(CC(=O)Nc2c(C(=O)N)c3c(CCC3)s2)CC1	EMOLS-id_3062445,PC-id_705147,ZINC22_90014,CoCoCo_3571183,CoCoCo_3571184,MCULE-8553304297	321.438	ZJGXDWHDMUTXSH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077933
CC1(CN(CCO1)CC(=O)Nc1nc2c(s1)CCC2)C1CC1	EMOLS-id_316921808,MCULE-7053486235,PC-id_136552559	321.438	MJLKBHIFZYGQPP-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-077934
CCCC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1	ZINC22_55050033,EMOLS-id_48218412,PC-id_75416081,MCULE-9212805088	321.438	YRYOFTNGYVTRFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077935
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010806	321.438	XQEOIQWCCPWXQQ-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-077936
CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CCO	PC-id_110935822	321.438	YISNAMYGEZIPPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077937
CC(C)N(CC(=O)N1CCNC1=O)Cc1cc2c(s1)CCC2	MCULE-2692396427,PC-id_47549234,ZINC22_71824962,EMOLS-id_36932479	321.438	BUTZOTPRUIZVQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077938
CCC(=O)N1Cc2c(C1)nc(s2)OC1CCN(C1)C1CCC1	PC-id_56848660,SCHEMBL166685	321.438	MPNDUGLSHMLMNP-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-077939
C[C@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1	PC-id_8903698,ZINC22_7787677,CoCoCo_3566245,CoCoCo_3566246	321.438	XTNNBRJTLWLMIF-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-077940
C[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1	ZINC22_7787676,CoCoCo_3566243,PC-id_8903696,CoCoCo_3566244	321.438	XTNNBRJTLWLMIF-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077941
CC(=O)N1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_35709744,MCULE-3677471037,ZINC22_46823535,PC-id_53501719	321.438	VBPGKNIWWXADFN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077942
CC(=O)NC1(C(=O)Nc2nc3c(s2)CCC3)CCC(C)CC1	EMOLS-id_48781786,MCULE-4387459049,PC-id_75418299,ZINC22_63574023	321.438	CUZOBDYDUSCSNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077943
CN(CC(=O)N1CCc2c1cc(s2)C(=O)NC1CCCC1)C	PC-id_97951181	321.438	SPLOUBZGCIAECT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077944
CN(C(=O)NC1CCN(CC1)C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_316549456	321.438	WNBCDDZBSYZGMN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077945
COCC1=CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007170	321.438	ATUUXLQLKUPELI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-077946
n1c2CCCc2sc1CN1CCOC(C(=O)N2CCCC2)C1	MCULE-4664679800,EMOLS-id_324553543	321.438	FGNBCDUVGIGWGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077947
N#Cc1c(NC(=O)CCN(CC(O)(C)C)C)sc2c1CCC2	PC-id_111336421	321.438	WQZKSVRBHJBBGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077948
N#Cc1c(sc2c1CCC2)N(CC(C(=O)O)C)CCN(C)C	PC-id_112479574	321.438	JYIIXSHHSUUKGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077949
N#Cc1c(sc2c1CCC2)N(CCC(=O)O)CCCN(C)C	PC-id_95508698	321.438	DEIXJQAPLMBIOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077950
NCCNC(=O)C1CCCN(C1)C(=O)c1sc2c(c1)CCC2	MCULE-9764300342,PC-id_119480125,EMOLS-id_301270507	321.438	UXWVZTILFGJZFE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077951
O=C(C1CCCCN1C(=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180216	321.438	ZVZNRZCWJBQKKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077952
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)C(C(=O)N)(C)C	EMOLS-id_111510291	321.438	NBFVRTDUNKEGHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077953
O=C([C@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCCC1	ZINC22_1889101159	321.438	FGNBCDUVGIGWGC-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077954
O=C([C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCCC1	ZINC22_1889101160	321.438	FGNBCDUVGIGWGC-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077955
O=C(CN1CCCCCC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180156	321.438	JPMOIOFZBAHTBW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-077956
O=C(N1CCOCC1C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005616	321.438	LQSYKJULEUOOGO-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-077957
s1c2c(CCC2)c(c1NC(=O)C(N1CCCCC1)C)C(=O)N	PC-id_46630944	321.438	PQGYKRJUNIIMDQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077958
s1c2CCCc2nc1NC(=O)C1CCCN(C1)C(=O)C(C)C	PC-id_43066638	321.438	YFKHVRACFSFSFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077959
s1c2CCCc2nc1NC(=O)C1N(CCCC1)C(=O)C(C)C	PC-id_75903169	321.438	CGHIDIHSWZVCLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077960
s1c2CCCc2nc1NC(=O)[C@@H]1N(CCCC1)C(=O)C(C)C	PC-id_52696388	321.438	CGHIDIHSWZVCLF-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077961
s1c2CCCc2nc1NC(=O)[C@H]1N(CCCC1)C(=O)C(C)C	PC-id_52696389	321.438	CGHIDIHSWZVCLF-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077962
O=C(NCCC[NH2+]C1CCCCC1)NCc1n2CCCc2nn1	PC-id_52184285	321.441	QCYNCHCTVBFUJZ-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-077963
O=C1C(C(c2c1n(cc2)Cc1ccccc1)C(C)C)CCCC=C	PC-id_75301166	321.456	VKAXGFYNXZEZQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077964
O=C1[C@@H]([C@H](c2c1n(cc2)Cc1ccccc1)C(C)C)CCCC=C	PC-id_49840270	321.456	VKAXGFYNXZEZQY-UXHICEINSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077965
CCC1CCc2c1nc([nH]2)C(NC(=O)OC(C)(C)C)CC(C)C	PC-id_102970665	321.458	HAVKZDJBOBLQPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077966
CC(c1ccc(cc1)S(=O)(=O)C)NC1CCc2c1scc2	MCULE-6526178473,EMOLS-id_318595678	321.458	DLWMFJORQQWISX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077967
O=C(OC(C)(C)C)NC(c1nc2c([nH]1)CCC2C)CC(C)(C)C	PC-id_102970213	321.458	XPSUUCGDOHCUTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077968
s1c2CCCc2cc1CNc1ccc(S(=O)(=O)CC)cc1	PC-id_61206694	321.458	DAUHQSDIQPXXGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077969
s1c2c(CCC2)cc1CNc1c(S(=O)(=O)CC)cccc1	PC-id_61206696	321.458	GBFOLNFYDICYLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-077970
s1c2CCCc2cc1CNCc1sc(cc1)CC(=O)OC	PC-id_82887596	321.458	BAHHPTCSBXRFTQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-077971
C1CCC(CO1)c1csc(n1)NCc1sc2c(n1)CCC2	MCULE-7393331965,EMOLS-id_318483468	321.461	MZADJYCSCWCOFV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077972
c1csc(OC2CCN(Cc3nc4c(s3)CCC4)CC2)n1	ZINC22_2086875433,MCULE-4685219619,EMOLS-id_336486520	321.461	GZWCYLPRFSLFFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077973
c1(NC(=O)Cc2cccs2)c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBL1526798,PC-id_3677366,EMOLS-id_4932519,CHEMBL1526798,CoCoCo_4980057,MCULE-6340095414,ZINC22_425752	321.461	SDBVEYNEOOLCOL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077974
c1(sc2c(CCC2)n1)NC(=O)C(CCSC)n1cccc1	PC-id_121240463,MCULE-7288581394,EMOLS-id_93424771	321.461	FUJHVRVZQDTCJY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-077975
c1(sc2c(CCC2)n1)NC(=O)[C@@H](CCSC)n1cccc1	STOCK7S-59149,MCULE-1246833679,EMOLS-id_104685055,ZINC22_524733211	321.461	FUJHVRVZQDTCJY-GFCCVEGCSA-N	00000010110000000001000010000000000000000000000000000000	25-01-077976
c1(sc(nc1CCCC)C)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_46564334,ZINC22_72405678,PC-id_60174815,STOCK7S-29711,MCULE-4121580855,EMOLS-id_43041192	321.461	DBLYTXRSXMMMTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077977
Cc1csc(c1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030681	321.461	FBGJXZMFHQHPJH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-077978
CC(C)N(C)CC(=O)N1Cc2c(CN(C)C)nn(C(C)C)c2C1	EMOLS-id_313737174,ZINC22_1565553618	321.461	AITYGCNATFJJFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077979
CSCC[C@@H](C(=O)Nc1nc2c(s1)CCC2)n1cccc1	ZINC22_575443971	321.461	FUJHVRVZQDTCJY-LBPRGKRZSA-N	00000010110000000001000010000000000000000000000000000000	25-01-077980
CS(=Nc1ccc(cc1)NCc1sc2c(n1)CCC2)(=O)C	EMOLS-id_318744342,MCULE-7531552725	321.461	QQRRENIWKKGHCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077981
CS(=Nc1cccc(c1)NCc1sc2c(n1)CCC2)(=O)C	MCULE-2520660665,EMOLS-id_318586126	321.461	OINREJOOPOOVMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-077982
N#Cc1c(NC(=O)C(N2CCSCC2)C)sc2c1CCC2	EMOLS-id_98535868	321.461	WYVMPPSHTXHSMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077983
N#Cc1c(NC(=O)CSC2CCNCC2)sc2c1CCC2	PC-id_114627273	321.461	ZSMVGGBWERSSQB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077984
O1CCC(CC1)c1csc(n1)NCc1sc2c(n1)CCC2	MCULE-1697143426,EMOLS-id_318443711	321.461	VVWRFDXEZQSPJM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-077985
OCCSCc1ccnc(c1)NCc1sc2c(n1)CCC2	PC-id_109948787	321.461	SPRBZEWLCUCJBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-077986
s1c2CCCc2c(c1NC(=S)NC(=O)CCCCC)C#N	PC-id_4955535	321.461	FIKAJIGIAJQVPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077987
CN=C(NCc1nnc2n1CCC2)NCCN(C(C)C)C(C)C	PC-id_111020299	321.464	PNXHZULERAHISR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-077988
CCCCC(c1scc2c1C(=O)NC2=O)CCCCCCC	PC-id_68590488,SCHEMBL3308613	321.477	DRBMEGJEPFQTFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077989
CCCCCCC(Cc1scc2c1C(=O)NC2=O)CCCC	PC-id_141347773	321.477	AWKFOJJJCGELIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077990
CCCCCCCCCCCCc1scc2c1C(=O)NC2=O	PC-id_67247000,SCHEMBL2011732	321.477	UVOCPCUOCJRUEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077991
CCCCCCCCCCCCN1C(=O)c2c(C1=O)csc2	SCHEMBL2031441,PC-id_59287949	321.477	QTFIKHQXJQIECF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077992
CCCCCCCCCCCCN1C(=O)c2c(C1=O)scc2	PC-id_135271184,SCHEMBL20434474	321.477	WMHVNADWJCPTBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077993
CCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	PC-id_117982901,SCHEMBL16604916	321.477	DCWOWJIGTXAITL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077994
CCCCCCCCC(N1C(=O)c2c(C1=O)c(sc2C)C)C	SCHEMBL18504935	321.477	BORHMRAPXBOZQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077995
CCCCCCC(CN1C(=O)c2c(C1=O)csc2)CCCC	PC-id_102336587	321.477	INFYSWKOVOOPFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077996
CC(CCN1C(=O)c2c(C1=O)c(sc2C)C)CCCC(C)C	SCHEMBL16356263,PC-id_117787874	321.477	GMVNCWHZCQWQHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-077997
O=C(c1sc2c(c1)CCC2)NCC1CCCOC1C(C)(C)C	PC-id_86971617	321.477	OJZBIIPALIHKMZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-077998
c1(NC(=O)C2CCC(CC2)CCCC)n(C)nc2CSCc12	EMOLS-id_334563519,MCULE-7647967626	321.481	ZVFKABATMNKKID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-077999
c1(NC(=O)CCC2CCCC2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5438611,MCULE-1794260409,CoCoCo_4982345,ZINC22_3912429,Chemmine_40322,PC-id_4109073	321.481	OXCWLUXVGJZFOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078000
CC(C)N1CCC(CC1)C(=O)NCCc1nc2CCCc2s1	PC-id_50983806,EMOLS-id_32435486,MCULE-6806553377,ZINC22_65528843	321.481	XVOUNIOEJCWDMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078001
CCN1CCN(CC1)C(CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_31959495,MCULE-4754731784,PC-id_51081010	321.481	FEHYTNKPHWDLTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078002
CCN1CCN([C@@H](C)CNC(=O)c2cc3c(s2)CCC3)CC1	ZINC22_48236255,PC-id_94172350	321.481	FEHYTNKPHWDLTC-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078003
CCN1CCN([C@H](C)CNC(=O)c2cc3c(s2)CCC3)CC1	ZINC22_48236257,PC-id_94172352	321.481	FEHYTNKPHWDLTC-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078004
CN1CCN(CC1)CCCCNC(=O)c1sc2c(c1)CCC2	MCULE-3110548392,PC-id_45819292,EMOLS-id_31936812	321.481	KNFQIGICCWVPTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078005
CN1CCN(C(C)(C)CNC(=O)c2cc3c(s2)CCC3)CC1	CoCoCo_4879955,CoCoCo_4879956,EMOLS-id_31936226,MCULE-5543231935,ZINC22_40522791,PC-id_45819148	321.481	NWIYNJYXCJKFQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078006
CN1CCOC(C1)CN(Cc1sc2c(n1)CCC2)CC1CC1	EMOLS-id_316110628,MCULE-1742402908	321.481	FNISFWHTWYSVHU-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-078007
CN1CCO[C@H](CN(Cc2nc3c(s2)CCC3)CC2CC2)C1	ZINC22_328626852	321.481	FNISFWHTWYSVHU-AWEZNQCLSA-N	00100010100010000001000010000000000000000000000000000000	25-01-078008
CN1CCO[C@@H](CN(Cc2nc3c(s2)CCC3)CC2CC2)C1	ZINC22_328626853	321.481	FNISFWHTWYSVHU-CQSZACIVSA-N	00100010100010000001000010000000000000000000000000000000	25-01-078009
CN(C)C1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_316776957,MCULE-2549262742,ZINC22_177136524	321.481	GFOKQUOUNDPEET-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078010
NC1CCCOC1C1CCN(CC1)Cc1sc2c(n1)CCC2	MCULE-8927702103,EMOLS-id_318243352	321.481	SEZAVXZNMVFDFM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-078011
NC1CCOC(C1)C1CCCN(C1)Cc1sc2c(n1)CCC2	EMOLS-id_318279729,MCULE-8784480246	321.481	SWGSZGNCQRIJBG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-078012
NC1CCOC(C1)C1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_318030234,MCULE-5624333842	321.481	HBOKFQIZWXWSLW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-078013
O=C(C(C)(C)C)N1CCC(CC1)NCc1sc2c(n1)CCC2	MCULE-4266353576,EMOLS-id_317992225	321.481	VVGSLURIWBSCJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078014
O=C(Nc1c2CSCc2nn1C(C)(C)C)CC1CCCCC1	PC-id_4397817,CoCoCo_4982344	321.481	FDCHLARKCIDRAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078015
s1c2CN(Cc2cc1C(=O)NCCN1CCCCC1)C(C)C	PC-id_53171260	321.481	PYUVISACUICHJQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078016
s1c(nc2c1CCC2)CN1CCN(CC1)C(=O)CC(C)(C)C	PC-id_44060337	321.481	AHIZOUGKGPJVLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078017
s1c(nc2c1CCC2)CN1CCN(CC1)C(=O)C(CC)CC	PC-id_44060338	321.481	MPOJPHBOPAZJRM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078018
CSc1cccc(c1C(=S)N)Nc1sc2c(n1)CCC2	PC-id_104197208	321.484	SZWMSTNPAHQSJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078019
CCOC(=O)c1cc2c(n1COCC[Si](C)(C)C)C(=CC2)C	PC-id_66873715,SCHEMBL1004732	321.487	ILGBVODDFKGOSQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-078020
CCCCCCCC(c1nnc2n1N(C)NC2)CCCCCC	PC-id_138606588,SCHEMBL20969040	321.504	IPYVOEPCHFRCDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078021
CCCCCCCCCCCCC(C1NNc2cc(nn12)C)N	PC-id_136602027	321.504	ZWWTXIJUMIBRAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078022
CCNC(c1sc2c(n1)CCC2)c1csc(n1)C(C)(C)C	PC-id_116084225	321.504	VAOKDZVGGOPMTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078023
NNC(c1sc2c(c1)CCC2)Cc1scc(n1)C(C)(C)C	PC-id_105324951	321.504	MLYDEMDIIZJONF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078024
s1c2CCCc2cc1CNCc1sc(N(CC)CC)nc1	PC-id_61206843	321.504	OYTXAIVVWCZKAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078025
c1(S(=O)(=O)Cl)c(Br)nn2CC(F)(F)Cc12	EMOLS-id_320439829,MCULE-3854039168	321.527	YKGMXYWBFWQDCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078026
c12ncnn1C(C(=O)N2)CC(=O)Nc1c(OC)ccc(Cl)c1	PC-id_17603319,STOCK6S-55520,EMOLS-id_17112947,MCULE-4776157920	321.719	XYJFGSAEXGPEJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078027
COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2ncnn12	PC-id_25875517,ZINC22_13735222	321.719	XYJFGSAEXGPEJS-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078028
COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2ncnn12	ZINC22_13735225,PC-id_25875519	321.719	XYJFGSAEXGPEJS-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-078029
O=C(NCc1nnc2n1CCC2)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC22_32889092,CoCoCo_4560449,MCULE-7965103782,EMOLS-id_23967152,PC-id_40124229	321.719	SNDDYWCBRZKPPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078030
O=C(NCc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cc1Cl	MCULE-7790602472,CoCoCo_4560459,ZINC22_22191242,PC-id_30093923,EMOLS-id_24952237	321.719	SVOAKEBTZIVYNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078031
Clc1sc2c(c1)C(CC2)Nc1c(F)c(F)cc(c1F)F	PC-id_107643766	321.721	MOGCOFJBMTUIEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078032
Clc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1ccc(F)cc1	SCHEMBL11047486,PC-id_20455454	321.731	KGBHGUJFYQJSJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078033
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(F)cc1	SCHEMBL11282781,PC-id_13068182	321.731	WCCCUNLKKUDYCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078034
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1cc(F)ccc1	PC-id_20528185,SCHEMBL11270302	321.731	KPINZIOKKAWVRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078035
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1c(F)cccc1	SCHEMBL11268671,PC-id_20528187	321.731	HAGWCFMGNXYIPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078036
CC(=O)Oc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O	ZINC22_28294905	321.739	AEKXAKMYMGBENL-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078037
n12ncnc1sc(=Cc1cc(Cl)ccc1OC(=O)C)c2=O	MCULE-1756783591	321.739	AEKXAKMYMGBENL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078038
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(o1)Cl)C	PC-id_20356179,SCHEMBL11662069	321.756	FUYODAQZLAWXOW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-078039
CC(OC(=O)C1CCn2c1ccc2C(=O)c1occ(c1)Cl)C	SCHEMBL11658708,PC-id_20356178	321.756	VMEAIJRFZPAMIT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-078040
CC(OC(=O)C1CCn2c1ccc2C(=O)c1occc1Cl)C	SCHEMBL11660380,PC-id_20356103	321.756	VHKDSFXVWMHKDI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-078041
N#Cc1c(NC(=O)c2cc(F)cnc2Cl)sc2c1CCC2	PC-id_108065554	321.757	WZBZINBPABJAGY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078042
C1COc2c(c(nn12)C(=O)NC(Cc1ccccc1)CO)Cl	PC-id_91960010	321.759	PPBBSDIHFJLHTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078043
C1COc2cc(nn12)C(=O)NCCC(c1ccccc1Cl)O	PC-id_91959811	321.759	QBUVZLMAPLEFDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078044
C1COc2c(c(nn12)C(=O)NCCC(c1ccccc1)O)Cl	PC-id_91960007	321.759	MCGVULLCVDZAGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078045
c1(C(=O)Nc2c(OC)cc(c(OC)c2)Cl)c2CCCc2[nH]n1	PC-id_110388960,EMOLS-id_179744949,MCULE-3616852326	321.759	SISCFRNSWSGQFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078046
c1(C(=O)Nc2c(OC)cc(c(OC)c2)Cl)cn2c(CCC2)n1	EMOLS-id_321295838,MCULE-4264781249	321.759	VMBIBGZCRCZOQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078047
c12CN(Cc1n(nc2)CCO)CC(=O)Nc1ccc(cn1)Cl	EMOLS-id_55677173,MCULE-1436436487,ZINC22_252500067,PC-id_91839157	321.762	SMSBYFRGSYVREU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078048
Clc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1OC	PC-id_60446699	321.762	CUSQXQXSCSSFQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078049
Clc1cc(NC(=O)NCc2n3CCCc3nn2)c(OC)cc1	PC-id_60447203	321.762	XBCXPIVEMBJWIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078050
COc1c(cccc1Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319009438	321.762	MTDCYURSAQAKIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078051
COc1cc(ccc1Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319382243	321.762	QOQPFVSWJYOBBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078052
COc1ccc(cc1Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319416467	321.762	XBKKMIOKNAVNAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078053
COc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)Cl	EMOLS-id_319804323	321.762	DHWQKBJGXIWVOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078054
CCOC(=O)c1[nH]c2c(c1)CCC2Cc1cc(F)cc(c1)Cl	PC-id_59180228,SCHEMBL2075803	321.774	SOCBRWWONPEYQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078055
Clc1ccc(cc1F)[C@@H]1OCC[C@H]1NC1CCn2c1ncc2	MCULE-4346338694,EMOLS-id_320200420	321.777	VDQULVQQOZJCOM-LOWNFYCTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078056
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)O	EMOLS-id_3740926,PC-id_827845,MCULE-5562916561,STOCK2S-93803,ZINC22_4899186	321.779	QEECFVCLPVGLCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078057
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)O	PC-id_724880,ChEMBL-DNDi_CHEMBL1547594,BAS-06104509,CoCoCo_345265,CHEMBL1547594,MCULE-6671050100,BindingDB-id_204563,BindingDB_PC-id_724880,STOCK1S-82923,EMOLS-id_1476433,ZINC22_131623	321.779	MHALOUDQCZKXIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078058
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)O	CoCoCo_954937,PC-id_760000,ChEMBL-DNDi_CHEMBL1401868,EMOLS-id_2462572,STOCK1S-71904,ZINC22_227472,CHEMBL1401868,ChEMBL-DNDi_CHEMBL3237-0743,MCULE-1670514912	321.779	QKYJCICPUCVLKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078059
CCc1cc2n(c1C(=O)c1scc(c1)Cl)CC=C2C(=O)O	PC-id_70629481,SCHEMBL11663564	321.779	RCLFBBRIRIAEPF-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-078060
Clc1cc(c(NC(=O)c2sc3CCCc3c2)cc1)C(=O)O	PC-id_25734318	321.779	SCJGDMQDEQIDNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078061
Clc1c(cc(NC(=O)c2sc3CCCc3c2)cc1)C(=O)O	PC-id_60748350	321.779	URSHQQFYVFELBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078062
Clc1cc(NC(=O)c2sc3CCCc3c2)c(cc1)C(=O)O	PC-id_25734198	321.779	ZCTJFRSOPDITKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078063
Clc1cc(NC(=O)c2sc3CCCc3c2)ccc1C(=O)O	PC-id_61398525	321.779	WUYHMIPNJWISPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078064
Clc1c(c(NC(=O)c2sc3CCCc3c2)ccc1)C(=O)O	PC-id_63724267	321.779	YAUBADKTWFAWSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078065
Clc1cc(NC(=O)c2sc3CCCc3c2)cc(c1)C(=O)O	PC-id_81369987	321.779	CTOQHNKIVLOLRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078066
Clc1c(NC(=O)c2sc3CCCc3c2)cc(cc1)C(=O)O	PC-id_25732926	321.779	GXFCCQWWQSEYBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078067
Clc1c(NC(=O)c2sc3CCCc3c2)ccc(c1)C(=O)O	PC-id_64319145	321.779	FAXCLQIEUPMEFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078068
O=C(c1sc2c(c1)CCC2)Nc1c(Cl)cccc1C(=O)O	PC-id_107046736	321.779	UIIYUOVYGAXORI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078069
c1(NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C(=O)N	BAS-06173977,ZINC22_568703,CoCoCo_346134,TIMTEC93695,EMOLS-id_1477606,PC-id_959647,MCULE-2487460997	321.782	CCDQNBGNAIKACK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078070
c1(NC(=O)c2ccnc(Cl)c2)sc2c(CCC2)c1C(=O)N	PC-id_60692872,EMOLS-id_181323320,MCULE-4002554789	321.782	OSUIXOOUNWPGDL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078071
CCCc1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324848358	321.782	RNNWHUUZQHOWMA-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078072
CC(C)c1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324850400	321.782	OWKPJLPYOCOTCH-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078073
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N)cc1	PC-id_16947470	321.782	DQJMZVTWGNGWKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078074
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)N)ccnc1	PC-id_66481949	321.782	KXNUUMTWFMCKHY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078075
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)N)cncc1	PC-id_81229232	321.782	WEDVPOIKMGYYCP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078076
Clc1nccc(C(=O)NNC(=O)c2sc3CCCc3c2)c1	PC-id_33820913	321.782	IVAHFLWWFGFIAF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078077
Clc1ncc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_60628988	321.782	ZYVXHXCONUDFGZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078078
Clc1ncc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684444	321.782	DGTIYNCVKLLBJX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078079
Clc1nc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_62233311	321.782	ORRLDHDWVOXEIJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078080
n12c(=O)c(=Cc3cc(ccc3O)Cl)sc1nc(C(C)C)n2	MCULE-8736739148	321.782	OWKPJLPYOCOTCH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078081
n12nc(nc1sc(=Cc1cc(ccc1O)Cl)c2=O)CCC	MCULE-7965910530	321.782	RNNWHUUZQHOWMA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078082
NC(=O)c1c(NC(=O)c2cc(Cl)ccn2)sc2c1CCC2	CoCoCo_3908716,MCULE-9578591562,ZINC22_9503916,PC-id_16359222,EMOLS-id_3641938	321.782	FDUZGZFEMWCRDR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078083
ClCCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109331	321.802	LGCHZGARVGGNJQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-078084
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C(Cl)C	PC-id_92109333	321.802	RLRWJFMBPCBHAA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-078085
Clc1cn(c(c1)CN(C(=O)NC1CC(n2c1ncc2)C)C)C	EMOLS-id_318763415	321.805	VNFQUBQKVLQYND-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-078086
CCOC(=O)C1CCc2c1nc(s2)Cc1ccccc1Cl	PC-id_104287107	321.822	GHVXOQSEUUKGGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078087
CCOC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1)Cl	PC-id_104287168	321.822	NGGMCRQCAGDCGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078088
CCOC(=O)C1CCc2c1nc(s2)Cc1cccc(c1)Cl	PC-id_104287186	321.822	ZTNCEOAIWBVHQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078089
CCOC(=O)C1Nc2c(C1)c(cs2)Cc1ccc(cc1)Cl	PC-id_70796321,SCHEMBL12907181	321.822	MDSUCLMSOXHDGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078090
CCOC(=O)C1Nc2c(C1)sc(c2)Cc1ccc(cc1)Cl	SCHEMBL14267157,PC-id_59683330	321.822	KPMZTJOAIHFQIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078091
Clc1ccc(cc1)C(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_110887500	321.822	UVCXOSKRBJLLKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078092
Clc1ccc(OCCNC(=O)c2sc3CCCc3c2)cc1	PC-id_9297523	321.822	MLCYTHJMWOMKOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078093
Clc1sc2CCC(Nc3c(cc(cc3)C)C(=O)OC)c2c1	PC-id_81234494	321.822	MNGNNWYBLLXMJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078094
Clc1sc2CCC(Nc3ccc(cc3)C(=O)OCC)c2c1	PC-id_81233714	321.822	NBRIYPFATNLDBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078095
Clc1sc2CCC(Nc3cc(ccc3)C(=O)OCC)c2c1	PC-id_81233715	321.822	KBLFSOQCMMJIID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078096
Clc1sc2CCC(Nc3c(cccc3)C(=O)OCC)c2c1	PC-id_81234086	321.822	NUAYJFNOKQBUKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078097
Clc1sc2CCC(Nc3c(c(ccc3)C(=O)OC)C)c2c1	PC-id_81234523	321.822	OUUVPSJDNWUQLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078098
Clc1sc2CCC(Nc3c(ccc(c3)C(=O)OC)C)c2c1	PC-id_81234773	321.822	HFHOASKLCZFHPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078099
Clc1sc2CCC(Nc3c(cc(cc3)C(=O)OC)C)c2c1	PC-id_81235444	321.822	AQAHWCKJLYWYED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078100
Clc1sc2c(C(NC(c3ccccc3)C(=O)OC)CC2)c1	PC-id_81246938	321.822	ZJEAXXRRNHVPCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078101
COc1cc(Cl)c(C)cc1NC(=O)c1cc2c(s1)CCC2	PC-id_4793815,MCULE-2813476636,ZINC22_6653191,CoCoCo_3195694,EMOLS-id_3440183	321.822	LRHFTWKTAZEBSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078102
O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc2c(s1)CCC2	ZINC22_294695355	321.822	UVCXOSKRBJLLKO-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078103
c1(NC(=O)CCc2ccc(cc2)Cl)n(C)nc2CSCc12	MCULE-2736119813,EMOLS-id_334568113	321.825	CBEUJQPFZZEQIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078104
CCCc1nc(Cl)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104134926	321.825	YVSSZVSIFKJPME-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078105
C=CCn1ncc(c(c1=O)Cl)NCc1sc2c(c1)CCC2	PC-id_114434870	321.825	GSIPBLTYJXPOES-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078106
Clc1cc(cc(n1)C(C)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_104134927	321.825	LIPSJQLKHIULEO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078107
Clc1cc(C(=O)Nc2sc3CCCc3n2)c(NCC)cc1	PC-id_62177037	321.825	YNHKETKVWLBKBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078108
Clc1ccc(SCC(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536331	321.825	MFTWFFKQSJIPMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078109
Clc1sc2CCC(Nc3ccc(NC(=O)NC)cc3)c2c1	PC-id_81233992	321.825	OTFDFDXIJPJRCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078110
O=C([C@@H]1C[C@H]1c1ccc(s1)Cl)NCc1cnc2n1CCC2	EMOLS-id_319636624	321.825	KBMVQVRNWQYMKB-GHMZBOCLSA-N	00100010100100000001100010000000000000000000000000000000	25-01-078111
O=C([C@@H]1C[C@H]1c1ccc(s1)Cl)NCc1n[nH]c2c1CCC2	MCULE-9485373715,EMOLS-id_319983512	321.825	XETZDAHVBHVAIV-NXEZZACHSA-N	00100010100100000001100010000000000000000000000000000000	25-01-078112
Clc1sc(S(=O)(=O)Nc2sc3CCCc3n2)cn1	PC-id_54963002	321.827	DRKVPEXHTKXLGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078113
CCNC(c1ccc(c(c1)OC)Cl)c1sc2c(c1)CCC2	PC-id_105007124	321.865	DUVNRLYDJFLVEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078114
CCNC(c1cc(Cl)ccc1OC)c1sc2c(c1)CCC2	PC-id_104546003	321.865	WSXBARQKLMKAIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078115
Clc1cc(C(NCC)c2sc3c(CCC3)c2)ccc1OC	PC-id_43488506	321.865	DGBYSCVFYKULGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078116
Clc1c(C(NCC)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_43562073	321.865	MQEVPIBXDVOQCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078117
Clc1sc2CCC(Nc3c(cc(OC(C)C)cc3)C)c2c1	PC-id_81246710	321.865	LBPFCFMRAJNWGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078118
Clc1sc2CCC(Nc3cc(OCC(C)C)ccc3)c2c1	PC-id_81247137	321.865	HVNWYCDFHUAFRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078119
Clc1sc2CCC(Nc3cc(OC(CC)C)ccc3)c2c1	PC-id_81247157	321.865	NHSBBSRWYHDPAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078120
Clc1sc2CCC(Nc3c(OCCC)cc(cc3)C)c2c1	PC-id_81246255	321.865	XTACLGKEYNPLPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078121
Clc1sc2CCC(Nc3c(OCC(C)C)cccc3)c2c1	PC-id_81246709	321.865	IKLKIVWFRQAPDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078122
Clc1sc2c(C(NC(c3ccc(OCC)cc3)C)CC2)c1	PC-id_81234258	321.865	WQIWKTFYTGFDKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078123
Clc1sc2c(C(NCc3c(COCC)cccc3)CC2)c1	PC-id_81234130	321.865	VMJYIUNELFSMDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078124
Clc1sc2c(C(NC(c3c(OC)ccc(c3)C)C)CC2)c1	PC-id_81234788	321.865	FWIKZCDAFMEBFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078125
Clc1sc2c(C(NC(Cc3c(OC)cccc3)C)CC2)c1	PC-id_81246408	321.865	PHSCJDAIGJNIIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078126
Clc1sc2c(C(NC(CCc3ccc(O)cc3)C)CC2)c1	PC-id_81234115	321.865	YJFOHKZUISUKAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078127
Clc1sc2c(C(NC(CC)c3ccc(OC)cc3)CC2)c1	PC-id_81234687	321.865	VCZWTGDKOLVFMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078128
Clc1sc2c(C(NC(CC)c3c(OC)cccc3)CC2)c1	PC-id_81234923	321.865	YWGRWMSJTKGAPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078129
Clc1sc2c(C(NC(COc3ccc(cc3)C)C)CC2)c1	PC-id_81246853	321.865	CKWWUHHFCUAFDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078130
CNC(c1sc2c(c1)CCC2)Cc1cc(Cl)ccc1OC	PC-id_115844817	321.865	YQKBZUUMRKTWAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078131
CC(c1nc(NCc2sc3c(c2)CCC3)c(c(n1)Cl)C)C	PC-id_106194049	321.868	UYPDRXFRDJKULZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078132
CCCc1nc(NCc2sc3c(c2)CCC3)c(c(n1)Cl)C	PC-id_106194063	321.868	XNNDBSAKYZQJQF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078133
Clc1cc(NCc2sc3c(c2)CCC3)nc(n1)C(C)(C)C	PC-id_106194057	321.868	XQCWWEHMIIYTRM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078134
Clc1sc2CCC(Nc3ccc(N(CC)CC)nc3)c2c1	PC-id_81234924	321.868	VOBFGXFYJMOTAL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078135
Clc1sc2CCC(Nc3c(SCC=C)cccc3)c2c1	PC-id_81252905	321.888	OWWOJYNBKMUTJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078136
C1CS(=O)C2=NC(=CN21)/C=C/3[C@@H]4N(C3=O)C(=CS4)C(=O)[O-]	PC-id_153886059	321.996	IYEMSFLDXLAWLW-HGRSMZGISA-M	00001011100000000001001010000000000000000000000000000000	25-01-078137
CC1[C@@](OC2=NC(=CN12)[N+](=O)[O-])(C)N(C)C3=CC=C(C=C3)Cl	PC-id_153874057	322.083	ZPWWETCRHQFLAX-RJSPSEDBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078138
CC(=O)[C@@](C)(CCN1CC2=CC(=CN2C1=O)C#C)S(=O)(=O)C	PC-id_161202175	322.099	VYQQHQDGNOPIMJ-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078139
COC(=O)C1=CC2=C(N1C(=O)[O-])CCC2CC3=CC(=CC=C3)C#C	PC-id_154203847	322.108	OHXRBEMFBPMCQW-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-078140
CC1(C2=NN(C(=C2CN1C(=O)O)NC(=O)C3CCC3)C(=O)O)C	PC-id_161267919	322.128	VDKVJFKNYOKKPK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-078141
CC(C)(C)C(=O)NC1=NCC2=C1SC(=N2)NC(=O)C(C)(C)C	PC-id_160349775	322.146	RNJMVFLJLWNECZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-078142
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3CN(CCO3)C)C	PC-id_161193747	322.152	UUBKZMABAHBPGM-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-078143
Brc1cnn2CCN(C(=O)OCc3ccccc3)c12	EMOLS-id_331249222	322.157	JGUJFRKHYVRQOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078144
COc1ccc(cc1)CN1Cn2c(C1=O)ncc2Br	PC-id_140263673	322.157	LAWIETCUSGYGPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078145
Brc1cnc(nc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320257612,MCULE-8141348344	322.161	QLKPTJNCNRDFSL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078146
Brc1cnc(nc1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-8728206690,EMOLS-id_320179964	322.161	BMFHAXVYRQPRGM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078147
Cn1nc(c(c1C=C1C(C)n2c(C1=O)ncn2)Br)C	EMOLS-id_316553258	322.161	MSTPDZIUEZPALZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078148
O=C(C1NCc2c1c[nH]n2)NCc1ncccc1Br	EMOLS-id_318992662	322.161	IORMEXZUVUIUDP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078149
O=C(N1CCn2c1ncc2)c1c(Br)nc2n1CCC2	EMOLS-id_316583886	322.161	QSHKSLZYRPABON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078150
O=C(N1CCn2c1ncc2)c1[nH]nc(c1Br)C1CC1	EMOLS-id_319838507	322.161	PQDOVKCBRXWRHO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-078151
O=C(N1CCn2c1ncc2)Nc1ccc(c(n1)C)Br	MCULE-5341102229,EMOLS-id_320140949	322.161	VBLYNMVGEPELSI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078152
O=C(NCc1nnc2n1CCC2)c1cncc(Br)c1	EMOLS-id_13408929,MCULE-2789614397,CoCoCo_4491050,PC-id_16299886,ZINC22_8756371	322.161	HINMLJAHUZIIPB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078153
c1(C(=O)OCC)c2CCCc2sc1I	SCHEMBL19140509,EMOLS-id_331060008,MCULE-2933791748	322.163	TTYNZABMAYAHJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078154
c1(C(=O)OCC)c(I)c2c(CCC2)s1	MCULE-6360914069,EMOLS-id_330872640	322.163	GTFKBGNXZBXOJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078155
ICCCC1(OC(=O)c2c1scc2)C	PC-id_11823422	322.163	UJBRIHJAHJJMQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078156
c12CN(Cc1sc(I)c2C(=O)NC)C	MCULE-2836655178,EMOLS-id_331066154	322.166	YFNGRVZDOMPWPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078157
c1(C(=O)NC)sc2CN(Cc2c1I)C	MCULE-5646579350,EMOLS-id_330874439	322.166	UCTARIDPCJWCKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078158
ICC1Sc2n(C1)c(c(n2)C(=O)C)C	PC-id_50901117	322.166	SNNFCKRGLSUKSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078159
C=CCNc1nnc2n1C[C@@H](S2)CI	PC-id_94075648	322.169	ZTCMRRCADQLMKK-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-078160
C=CCNc1nnc2n1C[C@H](S2)CI	PC-id_94075649	322.169	ZTCMRRCADQLMKK-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078161
n12CC(Sc1nnc2NCC=C)CI	MCULE-2435682502,PC-id_17755904	322.169	ZTCMRRCADQLMKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078162
Fc1ccc(cc1)C(=O)c1c(C)c(c2n1CCC2)Br	PC-id_140336896	322.172	YTLYJVRJXYJWBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078163
Brc1ccc(cn1)C(=O)C1Cc2c(C1=O)ccs2	SCHEMBL15311987,PC-id_86699229	322.177	LRQCYHYWRJFLFU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078164
Brc1c(C=CC2Sc3n(C2=O)cnn3)cccc1	PC-id_18891874	322.18	GAIHWCABDUMVHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078165
Brc1cc(C=CC2Sc3n(C2=O)cnn3)ccc1	PC-id_18891887	322.18	GUHJBXKYDARKBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078166
Brc1ccc(C=CC2Sc3n(C2=O)cnn3)cc1	PC-id_18891878	322.18	IPTMSVWXSQDBAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078167
Cc1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324838381	322.18	SYGDPVOVLIMUMQ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-078168
Cc1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324840175	322.18	MXVGIXRGOZVCDM-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-078169
Cc1nnc2s/c(=Cc3ccccc3Br)/c(=O)n12	ZINC22_9187946	322.18	QUZLWVLIVIYXOL-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-078170
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)C	MCULE-1451095381	322.18	QZBUUGNVEHAXEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078171
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)C	MCULE-7436734701	322.18	SYGDPVOVLIMUMQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078172
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)C	MCULE-7537267981	322.18	MXVGIXRGOZVCDM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078173
CC(=O)CN1C2=C(CCC2)C(=N1)C(=NC)N3CCC(C(C3)F)O	PC-id_153600530	322.181	WHCPKTLDSQYUAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078174
Clc1cc(/C=C/CCc3[nH]c(cc23)C(=O)OC)ccc1Cl	PC-id_67269525,SCHEMBL2076158	322.186	IQVFSIMMCZYJNE-POHAHGRESA-N	00000010100000110000000010000000000000000000000000000000	25-01-078175
Clc1cc(/C=C/2CCc3[nH]c(cc23)C(=O)OC)ccc1Cl	PC-id_67269526,SCHEMBL2076160	322.186	IQVFSIMMCZYJNE-UXBLZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078176
Clc1cc(C=C2CCc3[nH]c(cc23)C(=O)OC)ccc1Cl	PC-id_67269528	322.186	IQVFSIMMCZYJNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078177
CC(C[C@H](C(=O)N[C@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)B)C	CoCoCo_5741252	322.188	CAHULOIFKJSUAG-KXUCPTDWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078178
CC(C[C@@H](C(=O)N[C@@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)B)C	CoCoCo_5741253	322.188	CAHULOIFKJSUAG-AEJSXWLSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078179
CC(C[C@H](C(=O)N[C@@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)B)C	CoCoCo_5741254	322.188	CAHULOIFKJSUAG-BBBLOLIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078180
CC(C[C@@H](C(=O)N[C@@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)B)C	CoCoCo_5741255	322.188	CAHULOIFKJSUAG-IVZWLZJFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078181
CC(C[C@H](C(=O)N[C@@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)B)C	CoCoCo_5741256	322.188	CAHULOIFKJSUAG-OPRDCNLKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078182
CC(C[C@@H](C(=O)N[C@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)B)C	CoCoCo_5741257	322.188	CAHULOIFKJSUAG-GUBZILKMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078183
CC(C[C@H](C(=O)N[C@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)B)C	CoCoCo_5741258	322.188	CAHULOIFKJSUAG-UTLUCORTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078184
CC(C[C@@H](C(=O)N[C@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)B)C	CoCoCo_5741259	322.188	CAHULOIFKJSUAG-LPEHRKFASA-N	00000010100000000000000010000000000000000000000000000000	25-01-078185
s1c2c(C(NC(=O)C(NC(=O)B)CC(C)C)C(O)C2=O)cc1	PC-id_499397	322.188	CAHULOIFKJSUAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078186
CCOc1cc(Br)ccc1NC1CCn2c1ncc2	MCULE-4043640241,EMOLS-id_318405342	322.2	QXRNHOVCAHBTLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078187
CCOc1ccc(cc1NC1CCn2c1ncc2)Br	EMOLS-id_318542674,MCULE-4522476734	322.2	OQSZGIRQTPNFEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078188
COc1cc(Br)ccc1NC1CC(n2c1ncc2)C	EMOLS-id_317973935,MCULE-9003289397	322.2	AIIVJSRBAVLEJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078189
COc1cc(Br)ccc1NCc1cnc2n1CCC2	MCULE-5058352305,EMOLS-id_318627827	322.2	QCPDNEIEJSCXQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078190
COc1cc(cc(c1)Br)NC1CC(n2c1ncc2)C	EMOLS-id_317947572,MCULE-3574536485	322.2	OZXGVUVBSUMIQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078191
COc1cc(ccc1Br)NC1CC(n2c1ncc2)C	EMOLS-id_317969292,MCULE-5986465216	322.2	PQOUQDXZFFJTQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078192
COc1cccc(c1Br)NC1CC(n2c1ncc2)C	MCULE-9233931158,EMOLS-id_318697090	322.2	NLVCDPIFEVTJEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078193
COc1cccc(c1Br)NCc1cnc2n1CCC2	EMOLS-id_318669385,MCULE-9097802866	322.2	KXVMCBSVIFJFJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078194
COc1ccc(cc1CNC1CCn2c1ncc2)Br	MCULE-9334348818,EMOLS-id_318090139	322.2	VRNNTTGUYIKBAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078195
COc1ccc(cc1NC1CC(n2c1ncc2)C)Br	EMOLS-id_317917295,MCULE-1155553049	322.2	TWKPRMYZEIKWER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078196
COc1ccc(c(c1)NCc1cnc2n1CCC2)Br	EMOLS-id_317965758,MCULE-1064924865	322.2	KJHLWZXXWXEDTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078197
COc1ccc(cc1NCc1cnc2n1CCC2)Br	MCULE-6261520497,EMOLS-id_317943904	322.2	QSTTZPFCLUFLCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078198
COc1cc(C)c(cc1NC1CCn2c1ncc2)Br	MCULE-2869817934,EMOLS-id_318454042	322.2	HZAZWFBYZPVHAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078199
COc1cc(NCc2cnc3n2CCC3)cc(c1)Br	EMOLS-id_317919411,MCULE-6507754879	322.2	PKYDKZLQRLRHOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078200
COc1cc(NCc2cnc3n2CCC3)ccc1Br	EMOLS-id_317976195,MCULE-8949391255	322.2	KCNYCUSOIXIIAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078201
COCc1c(cccc1Br)NC1CCn2c1ncc2	MCULE-6273408361,EMOLS-id_317972137	322.2	QFTOQMHVQMZEOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078202
OCc1cc(Br)ccc1NCc1cc2n(n1)CCC2	ZINC22_897826179,PC-id_146140764	322.2	FSSNAUWELFANEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078203
OCc1cc(Br)ccc1NCc1cnn2c1CCC2	PC-id_146140763,ZINC22_897826346	322.2	HXEVBEHALNKLOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078204
OCc1ccc(cc1NCc1cnc2n1CCC2)Br	EMOLS-id_318386694	322.2	KWAPCYNNMLGPSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078205
OCc1cc(NCc2cnc3n2CCC3)ccc1Br	EMOLS-id_279075879	322.2	RMACOQYDAYQOOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078206
Brc1cccc(n1)C(NCc1nnc2n1CCC2)C	EMOLS-id_279081596	322.204	NNDDJEMZCSEQAQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078207
Brc1cccc(n1)CNC(c1nnc2n1CCC2)C	PC-id_112582106	322.204	JCQPMJABSWMTFK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078208
Brc1ccc(nc1)CNC(c1n2CCCc2nn1)C	PC-id_64126265	322.204	LHDPARGFYDUSLZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078209
Brc1ccc(nc1)C(NCc1nnc2n1CCC2)C	MCULE-9500622790,EMOLS-id_318565950	322.204	JCLIZZFFQMWZLH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078210
Brc1ccnc(c1)C(NCc1nnc2n1CCC2)C	EMOLS-id_318493900,MCULE-3053520248	322.204	PDLVBRUCLKCLRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078211
Brc1cnc(cc1C)CNCc1nnc2n1CCC2	MCULE-2060405100,EMOLS-id_318641595	322.204	VWJBUSFONXZIDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078212
Brc1cncc(c1)C(NCc1nnc2n1CCC2)C	EMOLS-id_318571330,MCULE-9832153701	322.204	CBJUSCCHRBYRFD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078213
Brc1cncc(c1)CNC(c1nnc2n1CCC2)C	PC-id_116012143,MCULE-4821697409,EMOLS-id_317926244	322.204	OMMLOCQZQIVJCI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078214
Cc1ccc(c(n1)NC(c1nnc2n1CCC2)C)Br	MCULE-8562068034,EMOLS-id_318567916	322.204	XPAYHAXHLDEEIE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078215
Cc1c(CNCc2nnc3n2CCC3)cncc1Br	MCULE-7504867630,EMOLS-id_318588062	322.204	WENNQXBSRFQMRE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078216
Cc1cnc(c(c1)Br)NC(c1nnc2n1CCC2)C	EMOLS-id_317994012,MCULE-2448324372	322.204	RFEWXNDPBPYFLU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078217
CC(c1nnc2n1CCC2)Nc1ccc(c(n1)C)Br	MCULE-7671484938,EMOLS-id_318278638	322.204	YGBRUSCLSVOMIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078218
CC(c1nnc2n1CCC2)Nc1nccc(c1Br)C	EMOLS-id_318069723,MCULE-7869558016	322.204	XZQKILDQRMQUOG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078219
CC(c1nnc2n1CCC2)Nc1ncc(c(c1)C)Br	EMOLS-id_318276079,MCULE-8823124441	322.204	RRBCVWROTRLRSU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078220
CC(c1nnc2n1CCC2)NCc1ccncc1Br	MCULE-2266546021,EMOLS-id_317941909	322.204	LUSPNTPXSMJQHL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078221
c1(NC(=O)C(Cl)Cl)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2023345,MCULE-1401914338,PC-id_896439,TIMTEC426128,CoCoCo_896700	322.208	RJEKQKROUSEQQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078223
CN1C2=C(CN(C2)CC3(CC3)CN[C@H]4CC4C5=CC=CC=C5)C=N1	PC-id_148983010	322.216	PWCKGPHPYVRHRB-ZVAWYAOSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-078224
CN1C2=C(CN(C2)CC3(CC3)CN[C@H]4C[C@@H]4C5=CC=CC=C5)C=N1	PC-id_155266194	322.216	PWCKGPHPYVRHRB-MSOLQXFVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-078225
CN1C=C2CN(CC2=N1)CC3(CC3)CNC4CC4C5=CC=CC=C5	PC-id_155266133	322.216	QAKGUBFLQHMACB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-078226
CN1C=C2CN(CC2=N1)CC3(CC3)CN[C@H]4CC4C5=CC=CC=C5	PC-id_155266741	322.216	QAKGUBFLQHMACB-ZVAWYAOSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-078227
CN1C=C2CN(CC2=N1)CC3(CC3)CN[C@H]4C[C@@H]4C5=CC=CC=C5	PC-id_149005094	322.216	QAKGUBFLQHMACB-MSOLQXFVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-078228
Brc1cccc(c1)C(=O)c1c(N)sc2c1CCC2	SCHEMBL5852671,PC-id_10860229,CHEMBL338138	322.22	YSQAAOJPOFZKQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078229
Brc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	CoCoCo_3243895,MCULE-9493156679,EMOLS-id_16798754,PC-id_8713806	322.22	MQEKLFQOLZDEDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078230
Brc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_315213137,PC-id_8713758	322.22	LNUHDTOMLZZXPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078231
Brc1ccc(nc1)CC(=O)c1sc2c(c1)CCC2	PC-id_115801067	322.22	MUYICWBQIJJQKO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078232
Brc1cc(C(=O)c2sc3CCCc3c2)ccc1N	PC-id_64192919,EMOLS-id_314292962	322.22	YXAHMRSSFJYGBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078233
Brc1c(C(=O)c2sc3CCCc3c2)ccc(N)c1	EMOLS-id_314293476,PC-id_64192389	322.22	OMQTYOVXOZUGLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078234
Brc1cncc(c1)CC(=O)c1sc2c(c1)CCC2	PC-id_115801297	322.22	KYXHJDKFOVZHTA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078235
Brc1c(NC(=O)c2sc3CCCc3c2)cccc1	PC-id_24706461,EMOLS-id_314010092	322.22	SMSSHJOJNYLRRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078236
Nc1c(C(=O)c2ccc(Br)cc2)c2c(CCC2)s1	MCULE-2934678471,EMOLS-id_49861780,PC-id_859629,CHEMBL58748,ZINC22_415528	322.22	AGAHDIGCNBCTPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078237
Brc1c(C[NH2+]C(c2n3CCCc3nn2)C)cccc1	PC-id_75694751	322.224	PLLBVYXUGRKQFQ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-078238
Brc1c(C[NH2+][C@H](c2n3CCCc3nn2)C)cccc1	PC-id_51683326	322.224	PLLBVYXUGRKQFQ-JTQLQIEISA-O	00000010100000110001000010000000000000000000000000000000	25-01-078239
Brc1c(C[NH2+][C@@H](c2n3CCCc3nn2)C)cccc1	PC-id_51683328	322.224	PLLBVYXUGRKQFQ-SNVBAGLBSA-O	00000010100000110001000010000000000000000000000000000000	25-01-078240
Clc1cccc(c1C1(CC1)NCc1cnc2n1CCC2)Cl	MCULE-7811845960,EMOLS-id_318390275	322.232	SVYHXYNRJQQMNR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-078241
Clc1ccc(cc1Cl)C1(CC1)NCc1cnc2n1CCC2	EMOLS-id_318188440,MCULE-7013691883	322.232	PRBGZJWGBAHVAP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-078242
Brc1ccc(cc1)CNCc1sc2c(c1)CCC2	EMOLS-id_314544209,PC-id_61207758	322.263	SQYBFLPICACFGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078243
Brc1cccc(c1)CNCc1sc2c(c1)CCC2	PC-id_61208341,EMOLS-id_315102137	322.263	KVDOBPRTQBEKRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078244
Brc1ccccc1CNCc1sc2c(c1)CCC2	PC-id_61209322,EMOLS-id_314100932	322.263	JJPRFTAHWUBJPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078245
Brc1ccc(CC(N)c2sc3c(CCC3)c2)cc1	PC-id_61080324	322.263	SJJDGMQWZHFTGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078246
Brc1cc(CC(N)c2sc3c(CCC3)c2)ccc1	PC-id_61992866	322.263	AOBPQXYQUVRLRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078247
Brc1ccc(C(NC)c2sc3c(CCC3)c2)cc1	PC-id_43481000	322.263	RVHMUTOMEJSYDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078248
BrC(c1sc2c(CCC2)c1)C(c1ccncc1)C	PC-id_66455462	322.263	VTEQHCQAYPBEJI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078249
BrC(c1sc2c(CCC2)c1)Cc1ncccc1C	PC-id_66452685	322.263	OYMJYUYCNCFLMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078250
BrC(c1sc2c(CCC2)c1)Cc1ncc(cc1)C	PC-id_66453140	322.263	KGWDGZXLYBTDKH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078251
BrC(c1sc2c(CCC2)c1)C(c1ncccc1)C	PC-id_66454641	322.263	QOKFXAMUZFBCOU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078252
NC(c1sc2c(c1)CCC2)Cc1ccccc1Br	PC-id_115786920	322.263	HKBWLRFGYKLWSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078253
COC(=O)c1nn2c(n1)c(c(c2=C)C#N)C(=O)Oc1ccccc1	SCHEMBL12242143,PC-id_68223003	322.275	KPNCBQILBMLAFN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078254
c1(NC(=O)C(OC)(F)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_6777508,ChEMBL-DNDi_CHEMBL8012-3533,PC-id_3558653,MCULE-7109578766	322.279	ZMRZQRGZAGGFRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078255
CO[C@@](F)(C(=O)Nc1sc2c(c1C#N)CCC2)C(F)(F)F	PC-id_7044244,ZINC22_3616877	322.279	ZMRZQRGZAGGFRN-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-078256
CO[C@](F)(C(=O)Nc1sc2c(c1C#N)CCC2)C(F)(F)F	PC-id_7044245,ZINC22_3616878	322.279	ZMRZQRGZAGGFRN-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078257
c1(C(=O)NN=Cc2ccccc2C(F)(F)F)c2CCCc2[nH]n1	PC-id_5415099,MCULE-4281652668	322.285	ADFGNYSLQGRWKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078258
FC(F)(F)c1ccccc1/C=NNC(=O)c1n[nH]c2CCCc12	EMOLS-id_2117629,CoCoCo_722521,CoCoCo_722519	322.285	ADFGNYSLQGRWKO-UWVJOHFNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078259
FC(F)(F)c1ccc(C=NNC(=O)c2n[nH]c3CCCc23)cc1	PC-id_2043682	322.285	JICPMXNFKLDUPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078260
FC(F)(F)c1c(/C=N/NC(=O)c2n[nH]c3CCCc23)cccc1	PC-id_5728062,CoCoCo_722520,CoCoCo_722522,SPECS-id_AT-225/NB41240	322.285	ADFGNYSLQGRWKO-UFWORHAWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078261
N#Cc1ccc(cc1OC(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318619977,MCULE-5444817680	322.285	NOISQISVPVJWAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078262
N#Cc1ccc(nc1NC(c1nnc2n1CCC2)C)C(F)(F)F	MCULE-7076740803,EMOLS-id_318597503	322.288	PFCWSLGKITWTPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078263
Fc1ccc(C(=O)Nc2sc3CCCc3c2C#N)c(F)c1F	MCULE-2875460322,PC-id_108808573,EMOLS-id_182641476	322.305	PVVFBUPQWRYWKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078264
c1(C(=O)O)c2C(C)CCc2n(Cc2c(F)cc(cc2F)OC)n1	MCULE-7565717372,EMOLS-id_330984447	322.307	IWXACOZJOYQUKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078265
COc1cc(F)c(Cn2nc3CCC(C)c3c2C(=O)O)c(F)c1	EMOLS-id_330967483,MCULE-1676403516	322.307	AJHCGERSPPUKEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078266
C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NNC(=S)NN	PC-id_137708997	322.31	LGQUNAPSNUHUFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078267
c1(C(F)F)c2CCCc2n(CC(=O)Nc2onc(C3CC3)c2)n1	PC-id_19591247,MCULE-6550998643,TIMTEC185249,EMOLS-id_8868038,ZINC22_13642193	322.31	HAMBRRFTQPMKLN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-078268
CC(Oc1c(F)cc(cc1F)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_318715802	322.31	TXKCNRGECUAORM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078269
FC(COc1cc(ccc1C)NC(=O)C1NCc2c1c[nH]n2)F	EMOLS-id_319335331	322.31	WTVILFAQJUOTSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078270
FC(F)Oc1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1	PC-id_60361019	322.31	DVOHRGLVTQGNSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078271
FC(Oc1cccc(c1)C(NC(=O)C1NCc2c1c[nH]n2)C)F	EMOLS-id_319298672	322.31	SKCZDZMTVDUVCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078272
O=C(c1oc(nc1C(F)F)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320073913,MCULE-6363184174	322.31	NIKRXKYCDMBQBY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-078273
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cnc(c(c1)C)C(F)F	EMOLS-id_319648826	322.313	RGESWAIXRBPTSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078274
CC1CCc2c1c(C=O)nn2Cc1cccc(c1C)C(F)(F)F	EMOLS-id_331002104,MCULE-4319873084	322.325	SRZMBVSOMRYNDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078275
CC1CCc2c1c(C=O)nn2Cc1cc(ccc1C)C(F)(F)F	EMOLS-id_331005431,MCULE-1190480659	322.325	YBVVXTWYJGQDFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078276
CC1CCc2c1c(C=O)nn2Cc1cc(C)cc(c1)C(F)(F)F	MCULE-1252353762,EMOLS-id_331005943	322.325	GPIJKKARDYTUSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078277
CC1CCc2c1c(C=O)nn2Cc1ccc(C)c(c1)C(F)(F)F	MCULE-3265601384,EMOLS-id_331005687	322.325	YQHWOCQHQQUTLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078278
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(C=O)c12	EMOLS-id_330985907,MCULE-8878927632	322.325	PAGIBANLJKVXFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078279
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(C=O)c12	EMOLS-id_330989234,MCULE-7710648929	322.325	GHYGEXGXIIQHNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078280
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(C=O)c12	MCULE-3491633700,EMOLS-id_330985651	322.325	UHWDWNHGTSBXTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078281
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(C=O)c12	MCULE-6417321612,EMOLS-id_330989490	322.325	JOPKGMBJJMKQBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078282
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330985652,MCULE-1385588400	322.325	GMXHIRMOMUZZAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078283
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987446,MCULE-3189185777	322.325	CJPCRMZBRYDGDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078284
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330989239,MCULE-1894409878	322.325	BAYYTZICAUMZPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078285
O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc(F)c(F)c1	ZINC22_7778453,CoCoCo_2840799,MCULE-8555096110,PC-id_8892229,EMOLS-id_43696730	322.326	KLTPYXKJKOZSFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078286
n12N=C(C(C)(C)C)C(=NNC3=NC(=C=N)C(=N3)C#N)c1nc(n2)C	PC-id_59702999	322.328	HWACFDJKIVMCPL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-078287
N=CC1=N/C(=N/N=C2c3nc(nn3N=C2C(C)(C)C)C)/N=C1C#N	PC-id_146031344	322.328	DWUAAXBBDNUWLB-SJYYCVRHSA-N	00000011100000000001000010000000000000000000000000000000	25-01-078288
c1(NC(=O)c2ccc(cc2F)F)sc2c(CCC2)c1C(=O)N	PC-id_84410650,EMOLS-id_181323332,MCULE-5316875366	322.33	GEDMVWMEXFHQHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078289
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCC2)c1C(=O)N	MCULE-2692708652,PC-id_4963061,EMOLS-id_181348413	322.33	HVVVZSCTCYJEGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078290
c1(NC(=O)c2cc(F)ccc2F)sc2c(CCC2)c1C(=O)N	MCULE-3407892020,EMOLS-id_181348522,PC-id_84418977	322.33	MDCXUWKCBVDOAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078291
NC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)sc2c1CCC2	CoCoCo_3218549,MCULE-1716008778,EMOLS-id_13452704,PC-id_17440706,ZINC22_8708088	322.33	MILOYOCLDJDXPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078292
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(F)cc(F)c1	PC-id_26872426	322.33	PKNOLPKAUUBEAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078293
s1c2CCCc2cc1C(=O)NNC(=O)c1c(F)ccc(F)c1	PC-id_24634816	322.33	BOYSXBPUKUWBKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078294
s1c2CCCc2cc1C(=O)NNC(=O)c1c(F)cc(F)cc1	PC-id_27684462	322.33	VFBSSVFCMDHZSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078295
C1CC(CNC1)C(=O)N(C1CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960090	322.335	MCDRGBYWKCJPNX-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-078296
Fc1ccc(cc1)Cn1ncc2c1CN(C2)C(=O)c1ccncc1	EMOLS-id_36562881,PC-id_56738187,MCULE-8229079892	322.336	PIXPEHMEHHIHGT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-078297
O=C(c1ccccc1O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)C	SCHEMBL2916753,PC-id_68440054	322.34	HVKCRPPTSONAJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078298
O=C(c1oc2c(n1)CN(C2)S(=O)(=O)C)NCc1ccncc1	PC-id_97410652	322.34	LDNLDVJACYSQET-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078299
O=C(NS(=O)(=O)n1nc2c(c1)CNC2)OCc1ccccc1	SCHEMBL16841685,PC-id_118178946	322.34	QKBPKVUAQCFRMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078300
[O-][NH+](O)c1ccc(N/N=C/c3ccsc3CC2)c(c1)[NH+]([O-])O	CNP0475612	322.34	YEFLOWWHXDHVIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078301
S(=O)(=O)(n1nc2n(CCN2C(=O)C)c1=O)c1ccc(cc1)C	PC-id_46223792	322.34	MXCTWALAFJKGMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078302
s1c2CCCc2c(c1N=Cc1c(c(c([O-])nc1[O-])C#N)C)C#N	PC-id_51564998	322.341	LNTJGEHGGNWHAU-UHFFFAOYSA-L	00000010100000101000000010000000000000000000000000000000	25-01-078303
CCOC(=O)C1CCc2c1nc(s2)NCCCC(F)(F)F	PC-id_104289172	322.346	PHZSFYNMXMDMNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078304
CCOC(=O)C1CCc2c1nc(s2)N(CCC(F)(F)F)C	PC-id_104288982	322.346	YZHWYDKAUADOFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078305
CCOC(=O)C1CCc2c1nc(s2)NC(CC(F)(F)F)C	PC-id_105944861	322.346	NPYKSNYDHFNGGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078306
CCOC(=O)C1CCc2c1nc(s2)N(CC(F)(F)F)CC	PC-id_104288095	322.346	SWTLZFUPSNSQFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078307
C[C@@H](NCCc1nnc2n1CCC2)c1cccc(OC(F)F)c1	PC-id_97229715,ZINC22_95419908	322.353	HWKINAUKQTUZCU-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078308
C[C@H](NCCc1nnc2n1CCC2)c1cccc(OC(F)F)c1	ZINC22_95419907,PC-id_97229714	322.353	HWKINAUKQTUZCU-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-078309
FC(F)Oc1cc(C(NCCc2n3CCCc3nn2)C)ccc1	PC-id_75382601,EMOLS-id_48266073,MCULE-4766404568	322.353	HWKINAUKQTUZCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078310
C/C(=C
/Cc2c(C1=O)occ2)/Cc1occ2c1C(=O)C(=C(C)C)C2	PC-id_141881693	322.355	JFNMBHKYTXOQHK-RVDMUPIBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078311
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)CCCNC(=O)C)C	PC-id_10381444	322.356	DZEKMOSBXWPSPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078312
CCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(cc1)C#N	PC-id_54130455,SCHEMBL7681373	322.358	NTYXADITWOTAFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078313
COc1ccc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)cc1O	PC-id_53567166,ZINC22_69455253	322.358	VEBOSFLNQFLASC-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078314
N#Cc1c2CCCn2c(c1C(=O)C=Cc1ccc(c(c1)O)OC)C	PC-id_72139684,MCULE-4446945191,EMOLS-id_36357204	322.358	VEBOSFLNQFLASC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078315
N#Cc1c2CCCn2c(c1C(=O)/C=Cc1ccc(c(c1)O)OC)C	PC-id_97525698	322.358	VEBOSFLNQFLASC-ALCCZGGFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078316
CCC1CN(CC1O)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319351513	322.36	BNJGKRASROGQSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078317
CCC1COCCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319812717	322.36	QUPFWKXLLPLDBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078318
CC[C@@H]1OCC[C@H]1NC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319493366	322.36	CTIYTPFJCFSJCK-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078319
CCOC(=O)n1nc2c(c1NC(=O)C1CCCO1)CNC2(C)C	PC-id_58015688,SCHEMBL12879113	322.36	GGJSCZODTUEZTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078320
COC1CCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319123620	322.36	VGROWEIGKIONKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078321
COCC1CCCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319590248	322.36	QACRNIMKGDFYTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078322
COCC1(CCN(C1)C(=O)NC1CC(n2c1ncc2)C)C(=O)O	PC-id_146137619	322.36	PPSHHOVVNTWGNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078323
COCC1CCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319070180	322.36	SUIHMWQUUCUHRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078324
COC[C@]1(C(=O)O)CCN(C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)C1	ZINC22_635516829	322.36	PPSHHOVVNTWGNR-HFAKWTLXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078325
COC[C@]1(C(=O)O)CCN(C(=O)N[C@H]2C[C@H](C)n3ccnc23)C1	ZINC22_635516830	322.36	PPSHHOVVNTWGNR-PGUXBMHVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078326
COC[C@]1(C(=O)O)CCN(C(=O)N[C@@H]2C[C@H](C)n3ccnc23)C1	ZINC22_635516831	322.36	PPSHHOVVNTWGNR-RWSFTLGLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078327
COC(=O)c1c(NC(=O)NC2CCOCCC2)nc2n1CCC2	EMOLS-id_319151607	322.36	LKPOLXRKKPARJI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078349
COC[C@]1(C(=O)O)CCN(C(=O)N[C@H]2C[C@@H](C)n3ccnc23)C1	ZINC22_635516832	322.36	PPSHHOVVNTWGNR-ZETOZRRWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078328
COC(C(=O)N1CCN(CC1)C(=O)c1cnn2c1CCC2)OC	EMOLS-id_316701883	322.36	NOSKHNDLLZXLFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078329
COC(=O)c1c(NC(=O)N2CC(C2)C(O)(C)C)nc2n1CCC2	EMOLS-id_319531224	322.36	SJEVOKCLXORSAI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-078330
COC(=O)c1c(NC(=O)N2CC(C2)(O)C(C)C)nc2n1CCC2	EMOLS-id_319185239	322.36	ANNUKARDJKKUER-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-078331
COC(=O)c1c(NC(=O)N2CC(C(C2)(C)C)O)nc2n1CCC2	EMOLS-id_319223911	322.36	ODOWJQQFSFFLEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078332
COC(=O)c1c(NC(=O)N2CCCC2(C)CO)nc2n1CCC2	EMOLS-id_319566543	322.36	NIZQKAYHPOJRCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078333
COC(=O)c1c(NC(=O)N2CCC(C2(C)C)O)nc2n1CCC2	EMOLS-id_319820875	322.36	WPHSFUJGCSMMQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078334
COC(=O)c1c(NC(=O)N2CCC(C2)C(O)C)nc2n1CCC2	EMOLS-id_319113207	322.36	AQFRXLPTBLPHRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078335
COC(=O)c1c(NC(=O)N2CCCC(C2)(C)O)nc2n1CCC2	EMOLS-id_319027281	322.36	UCIVZGGDVUNTJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078336
COC(=O)c1c(NC(=O)N2CCC(CC2)(C)O)nc2n1CCC2	EMOLS-id_319233949	322.36	UOVUJEKZCLXVGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078337
COC(=O)c1c(NC(=O)N2CCC(C(C2)C)O)nc2n1CCC2	EMOLS-id_319798757	322.36	IISSJZXBIFBIBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078338
COC(=O)c1c(NC(=O)N2CCCC(CC2)O)nc2n1CCC2	EMOLS-id_319641503	322.36	LRZUVZHTCRQTAM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078339
COC(=O)c1c(NC(=O)N2CCCOC(C2)C)nc2n1CCC2	EMOLS-id_319708298	322.36	BUZZBSMTKLUOEZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078340
COC(=O)c1c(NC(=O)N2C[C@@H](C)C[C@H](C2)O)nc2n1CCC2	EMOLS-id_319780915	322.36	ROUKNHGPOAUVFV-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078341
COC(=O)c1c(NC(=O)N2CCOC(C2)(C)C)nc2n1CCC2	EMOLS-id_318983896	322.36	WJCNHRRMTLNIFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078342
COC(=O)c1c(NC(=O)N2CCOCC(C2)C)nc2n1CCC2	EMOLS-id_319092706	322.36	NJRMJVZYFQTGSG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078343
COC(=O)c1c(NC(=O)N2CCOCCC2C)nc2n1CCC2	EMOLS-id_319121728	322.36	DYZYJQGPJBJBBO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078344
COC(=O)c1c(NC(=O)N2CCOC(CC2)C)nc2n1CCC2	EMOLS-id_319636332	322.36	KPJZDCMZYTZQOU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078345
COC(=O)c1c(NC(=O)NC2(C)CCCOC2)nc2n1CCC2	EMOLS-id_319692331	322.36	MRENEGBRCGXYHJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078346
COC(=O)c1c(NC(=O)NC2(C)CCOC2C)nc2n1CCC2	EMOLS-id_319507568	322.36	WXNHTAFLJYNPSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078347
COC(=O)c1c(NC(=O)NC2(C)CCOCC2)nc2n1CCC2	EMOLS-id_319446162	322.36	ANHIZOXJIWFGTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078348
COC(=O)c1c(NC(=O)NC2COC(C2)(C)C)nc2n1CCC2	EMOLS-id_319688419	322.36	KRNPOJNNIMVORO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078350
COC(=O)c1c(NC(=O)N(C2(CO)CCC2)C)nc2n1CCC2	EMOLS-id_319773170	322.36	IUKFEJBHRIHZNQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-078351
COC(=O)c1c(NC(=O)NCC2(C)CCCO2)nc2n1CCC2	EMOLS-id_318994553	322.36	ABDNWXSLLLPKTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078352
COC(=O)c1c(NC(=O)NCC2CCCOC2)nc2n1CCC2	EMOLS-id_319611158	322.36	BZTWDIAAPPPDPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078353
COC(=O)c1c(NC(=O)N(CC2(C)COC2)C)nc2n1CCC2	EMOLS-id_319687851	322.36	QZLUUNFAGWDBHC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-078354
COC(=O)c1c(NC(=O)NCC2(C)COCC2)nc2n1CCC2	EMOLS-id_319804492	322.36	ZWARJJVAWVSJMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078355
COC(=O)c1c(NC(=O)NCC2CCOCC2)nc2n1CCC2	ZINC22_952884376,EMOLS-id_316971135,MCULE-7306454967	322.36	ZNQCOELFOPRAMS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078356
COC(=O)c1c(NC(=O)N(CC2COCC2)C)nc2n1CCC2	EMOLS-id_319341012	322.36	OHOVXTUFWYFURU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078357
COC(=O)c1c(NC(=O)NC(C2COCC2)C)nc2n1CCC2	EMOLS-id_319726226	322.36	KNRNENGQECCHSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078358
COC(=O)c1c(NC(=O)N(C[C@@H]2C[C@@H](C2)O)C)nc2n1CCC2	EMOLS-id_319007652	322.36	SJQFSGXMAYWDEH-AOOOYVTPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-078359
OCC1C(C)CCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319762110	322.36	BNUOIMLFZIDRGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078360
OCC1CCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319497912	322.36	QMPMXJGFRDFHTH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078361
OCC1CCN(CC1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319592961	322.36	ONCHRVUPCPLVHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078362
OCCC1CCCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319805289	322.36	RWMKEJGSADXKJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078363
O=C(N1Cc2c(C1)cnn2C)OC1CN(C1)C(=O)OC(C)(C)C	EMOLS-id_316591065	322.36	LMZPKYXDUCEXBW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-078364
c1(C(=O)Nc2ccc(c(c2)n2cccc2)OC)c2CCCc2[nH]n1	EMOLS-id_323260347,MCULE-6022543536	322.361	WQGCIUZEJRDOHT-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-078365
c1(C(=O)Nc2ccc(cc2OC)n2cccc2)c2CCCc2[nH]n1	EMOLS-id_323256764,MCULE-5383124965	322.361	GYPBKXBPZMYEMZ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-078366
c1(C(=O)N(C)Cc2[nH]nc3CCCc23)cc(on1)c1ccccc1	EMOLS-id_32406232,PC-id_50968253,ZINC22_67712630,MCULE-1349509876	322.361	BKBIHXCXLIHSJH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078367
Cc1ccc(cc1)c1noc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319784873	322.361	ZDBMMOCWYDUJRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078368
Cc1ccc(cc1)c1ocnc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319387221	322.361	MYVOGOUAFUVUAX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078369
Cc1ccc(cc1)c1ocnc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319864806,MCULE-3258199172	322.361	BCLLQMVETZVZNW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078370
Cc1nc(c(o1)c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319641571	322.361	UNFYNYIZASEDDZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078371
Cc1occc1C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1	PC-id_99829843,MCULE-1160653511,ZINC22_190085488,EMOLS-id_53797741	322.361	XQESGXWZUMJYIX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-078372
Cn1nc2c(c1C(=O)N(Cc1ccco1)c1ccccn1)CCC2	MCULE-9171991616,ZINC22_902571765,EMOLS-id_316937719	322.361	NZRQZGMZFWUHBI-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-078373
Cn1nc2c(c1NC(=O)Cc1coc(c3ccccc3)n1)CCC2	PC-id_47777339,EMOLS-id_35736885,MCULE-3073503276,ZINC22_65492197	322.361	SYZHBRUNVYDZHJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078374
CN(C(c1nnc[nH]1)c1ccccc1)C(=O)c1occ2c1CCC2	EMOLS-id_319878150	322.361	MNVUYQUUYRJQOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078375
N#Cc1c2CCCn2c(c1NC(=O)C)C(=O)Nc1ccc(cc1)C	PC-id_393849,CoCoCo_5763407,NSC696776	322.361	XLLAJOBENNQGDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078376
o1c(C(=O)Nc2n[nH]c3CN(Cc23)Cc2ccccc2)c(cc1)C	PC-id_68440502,SCHEMBL2918037	322.361	RVBSFSSBEQNTCH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-078377
O=C(c1ccc(nc1C)c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319076089	322.361	FTDHVUFVOYKUDC-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-078378
O=C(c1c(C)noc1c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319581564	322.361	OVNZQECTJRALJA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078379
O=C(c1c(C)onc1c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319773071	322.361	DILGGRKNJQIZMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078380
O=C(c1c(C)onc1c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319067633	322.361	CWXOLZLTIUEEEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078381
O=C(c1nc(oc1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319966681,MCULE-6498378637	322.361	WUVWGUYREITORA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078382
O=C(c1nc(oc1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319547373	322.361	UMSVZMIHRRZWGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078383
O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)Cc1ccco1	EMOLS-id_48289066,ZINC22_95441437,MCULE-4102686920,PC-id_75390465	322.361	HSJLXIJMSCHFAI-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-078384
O=C(c1oc(nc1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319189197	322.361	LJLLZWCGFBMXLT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078385
O=C(Cc1noc(c1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318900194	322.361	DOCGFHQURBNTDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078386
O=C(Cc1noc(c1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319667741	322.361	IDIKHAWNPKBPFX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078387
O=C(Nc1c(cccc1)C)c1n2c(CCC2)c(c1NC(=O)C)C#N	PC-id_51042535	322.361	NJTGYULFFORKOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078388
O=C(NCCc1nnc2n1CCC2)c1occc1c1ccccc1	PC-id_51079733,ZINC22_42502785,MCULE-6846526412,EMOLS-id_31935470	322.361	DPOYDIHVSVXEOJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-078389
CCCc1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324846821	322.363	FRYXFURQJBRVND-VURMDHGXSA-N	00000000100100000001000010000000000000000000000000000000	25-01-078390
CC(C)c1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324848878	322.363	UXUPDMBJUDIACD-YVMONPNESA-N	00000000100100000001000010000000000000000000000000000000	25-01-078391
n12c(=O)c(=Cc3ccc(N(=O)=O)s3)sc1nc(C(C)C)n2	MCULE-5356433877	322.363	UXUPDMBJUDIACD-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-078392
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCC	MCULE-3415441244	322.363	FRYXFURQJBRVND-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-078393
c1(C(=O)Nc2n[nH]c(CCc3ccccc3)n2)c2CCCc2n[nH]1	EMOLS-id_48569520,ZINC22_95476326,STOCK7S-43947,PC-id_71705206,MCULE-8385321381,EMOLS-id_49405747	322.364	DDJOIWDDLVLTPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078394
c1(C(=O)NCc2c3CCCc3[nH]n2)cnn(c2ccccn2)c1C	ZINC22_426425194,MCULE-3832115810,EMOLS-id_177391521,PC-id_121498530	322.364	HXCGZTOQDUKWKX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078395
c1(C(=O)NCCc2[nH]nc(c3ccccc3)n2)c2CCCc2[nH]n1	PC-id_77079216,MCULE-9904673682,ZINC22_162895766,EMOLS-id_49867542	322.364	YSFHDMGKDPIHNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078396
Cc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)n1cnnc1	EMOLS-id_319408175	322.364	UINWABKFDCWQRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078397
Cn1cc(c(n1)c1cccnc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320266966,MCULE-2232698667	322.364	DXQYDBDJYIBLFM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078398
Cn1cc(c(n1)c1ccncc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318844330	322.364	YNPFJSDCUNCPCU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078399
Cn1cc(c(n1)c1ccncc1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-7614305420,EMOLS-id_319997160	322.364	NTYNLKSAFYJIRE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078400
Cn1c(CC(=O)N[C@@H]2CCn3ccnc23)nnc1c1ccccc1	ZINC22_1544082223	322.364	OOUUFNFCLZAUMJ-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078401
Cn1c(CC(=O)N[C@H]2CCn3ccnc23)nnc1c1ccccc1	ZINC22_1544082224	322.364	OOUUFNFCLZAUMJ-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078402
Cn1c(CNC(=O)c2cnc3n2CCC3)nnc1c1ccccc1	MCULE-7024015975,EMOLS-id_320007652	322.364	XOAKKQZZZFYSDZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078403
Cn1c(CNC(=O)c2cnn3c2CCC3)nnc1c1ccccc1	EMOLS-id_319039821	322.364	BAPHMWAYQCYBJU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078404
Cn1c(CNC(=O)c2n[nH]c3c2CCC3)nnc1c1ccccc1	EMOLS-id_318977046	322.364	OORYNJULKSUDFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078405
Cn1cncc1c1cccc(c1)C(=O)NCc1nnc2CCCn12	PC-id_121501102,ZINC22_426479784,EMOLS-id_177411930,MCULE-3947962410	322.364	SEDYRZPUFRBSGN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078406
Cn1nc2c(c1CNC(=O)c1cnn(c3ccccc3)n1)CCC2	PC-id_91819376,EMOLS-id_53884621,MCULE-4772024584,ZINC22_225817596	322.364	QGSSMDLXGDDPGF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078407
Cn1ncc(c1)c1cncc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319106107	322.364	LTQNCVWRBFBGNA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078408
Cn1ncc(c1)c1ncccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319250280	322.364	DVBQQNDLKBGOFG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078409
Cn1nc(c(c1)C(=O)NCc1cnc2n1CCC2)c1cccnc1	MCULE-9171183277,EMOLS-id_320103789	322.364	VBBVPNSDGAJZRW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078410
CN(C(c1nnc[nH]1)c1ccccc1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319194755	322.364	WGYVXQYIZQNZLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078411
CN(C(c1nnc[nH]1)c1ccccc1)C(=O)c1cnn2c1CCC2	MCULE-6352047466,EMOLS-id_319900167	322.364	DCCOTDQEWVXVST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078412
COc1nc(/C=C/c2nn3c(n2)CCC3)ccc1n1cnc(c1)C	PC-id_143770132	322.364	WCLFYZXYIYYFMS-SOFGYWHQSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078413
N#Cc1cccnc1N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110448851	322.364	LSZQFWJBYJSCBC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-078414
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110446086	322.364	CKADPOGCMJXEDS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-078415
O=C(c1ccccc1Cn1cncn1)NCc1cnc2n1CCC2	EMOLS-id_319071362	322.364	MCGSAGBWYYDBGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078416
O=C(c1ccc(cc1C)n1cncn1)NCc1cnc2n1CCC2	EMOLS-id_319072600	322.364	WXLISKVZAOGCBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078417
O=C(c1ccc(c(c1)C)n1cncn1)NCc1cnc2n1CCC2	EMOLS-id_319253946	322.364	JOGWKBPIIPUWJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078418
O=C(c1ccc(cc1)Cn1cncn1)NCc1cnc2n1CCC2	EMOLS-id_319626560	322.364	YSTMTADBTQANFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078419
O=C(c1cccc(c1)Cn1cncn1)NCc1cnc2n1CCC2	MCULE-2947272692,EMOLS-id_319943007	322.364	LGHPFFODLCHAQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078420
O=C(c1ccc(cc1C)n1cncn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319469735	322.364	RSSVSBGRDKGIEY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078421
O=C(c1cccc(c1)Cn1cncn1)NCc1n[nH]c2c1CCC2	EMOLS-id_320070359,MCULE-3337550590	322.364	MTIQEXHCESBXNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078422
O=C(c1ccc(cc1)Cn1cncn1)NCc1n[nH]c2c1CCC2	MCULE-6618577428,EMOLS-id_319848666	322.364	QUXIDHRROVTXEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078423
O=C(c1ccccc1Cn1nncc1)NCc1cnc2n1CCC2	EMOLS-id_319443464	322.364	BCLHKHXXWOANRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078424
O=C(c1ccc(cc1)Cn1nncc1)NCc1cnc2n1CCC2	EMOLS-id_319791371	322.364	QNWHSASKMOJDCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078425
O=C(c1cccc(c1)Cn1nncc1)NCc1cnc2n1CCC2	EMOLS-id_319956909,MCULE-3468988731	322.364	CBALSGHPVXVBHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078426
O=C(c1ccc(cc1)Cn1nncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318894599	322.364	AZXWPUBAXPZGCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078427
O=C(c1ccccc1Cn1nncc1)NCc1n[nH]c2c1CCC2	MCULE-4107065202,EMOLS-id_320073829	322.364	RUUSLFUZELTPNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078428
O=C(c1cc(nn1C)c1cccnc1)NCc1n[nH]c2c1CCC2	MCULE-5736992314,EMOLS-id_319876824	322.364	KYRCAXGWQDCZMF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078429
O=C(c1cc(nn1C)c1ccncc1)NCc1n[nH]c2c1CCC2	MCULE-1513370874,EMOLS-id_320178127	322.364	SEUJXBZLOFRENX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078430
O=C(c1cn2c(n1)CCC2)NCc1nnc(n1C)c1ccccc1	MCULE-1768794577,EMOLS-id_320110803	322.364	KOIRHXOTIFMQSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078431
O=C(c1cnc2n1CCC2)NCCn1nnc(c1)c1ccccc1	EMOLS-id_319008946	322.364	WQDFRXCTORGKGG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078432
O=C(c1cnn2c1CCC2)NCCn1nnc(c1)c1ccccc1	EMOLS-id_319309129	322.364	UJZXADDGPCVEBT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078433
O=C(c1cnn(c1C)c1ccncc1)NCc1n[nH]c2c1CCC2	MCULE-2322752632,EMOLS-id_319908151	322.364	GNUODTQTJQFOFA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078434
O=C(c1[nH]c(nc1C)c1cccnc1)NC1CC(n2c1ncc2)C	EMOLS-id_319531103	322.364	WRJQISBGZZRDEK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078435
O=C(c1[nH]c(nc1C)c1cccnc1)Nc1n(C)nc2c1CCC2	MCULE-2749145881,EMOLS-id_320254468	322.364	XLJQXODWRZZVRV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078436
O=C(c1[nH]c(nc1C)c1cccnc1)NCc1cnc2n1CCC2	EMOLS-id_318861359	322.364	ABOVLRMRMYMNOQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078437
O=C(c1[nH]c(nc1C)c1cccnc1)NCc1nn2c(c1)CCC2	EMOLS-id_320199580,MCULE-9764905090	322.364	RUGGLHRBTKIHOM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078438
O=C(c1nn2c(c1)CCC2)NCCn1nnc(c1)c1ccccc1	EMOLS-id_319670464	322.364	IDEFZYDHGGFOCF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078439
O=C(c1nnn(c1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318958849	322.364	LOWLAZQFKBYXJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078440
O=C(c1nn(nc1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319207392	322.364	KGGWERBYRKHUII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078441
O=C(c1nnn(c1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319545428	322.364	QSIUQQFPHLSPBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078442
O=C(c1nn(nc1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319189974	322.364	HPNJAYFUUSZEDP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078443
O=C(c1nnn(c1C)c1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-9916769718,EMOLS-id_320219897	322.364	WGZGVVJTWRFAMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078444
O=C(Cc1ccc(cc1)n1cnnc1)NCc1cnc2n1CCC2	MCULE-2550905059,EMOLS-id_320055467	322.364	VNSAKGSRGBHTBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078445
O=C(Cc1ccc(cc1)n1cnnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319615167	322.364	FWSJUKZKVPGRQA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078446
O=C(Cc1cnn(n1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319720169	322.364	VSKHSCLKYOAQML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078447
O=C(Cc1cnn(n1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320282159,MCULE-8653695350	322.364	NOJFEXMRNWCBLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078448
O=C(Cc1nnc(n1C)c1ccccc1)NC1CCn2c1ncc2	EMOLS-id_316889543	322.364	OOUUFNFCLZAUMJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078449
O=C(Cn1cnc(n1)c1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-2348905016,EMOLS-id_320186608	322.364	YDBAHUXYBUTESJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078450
O=C(N=c1cc2n([nH]1)CCC2)Nc1ccc(Cn2ccnc2)cc1	ZINC22_1875302635	322.364	ZTAJFAPHGXUYLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078451
O=C(NCc1nnc2n1CCC2)c1cnn(Cc2ccccc2)c1	ZINC22_40480508,CoCoCo_4474386,PC-id_45802301,MCULE-9359636707,EMOLS-id_29985852	322.364	RBMCPIAYQUFBNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078452
O=C(NCc1nnc2n1CCC2)Nc1cccc(n2cccc2)c1	EMOLS-id_35767937,MCULE-7230594859,ZINC22_65552395,PC-id_53545452	322.364	QNVBLZCZIRPSHN-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-078453
O=C(NCCc1cnn(c2ccccc2)n1)[C@@H]1Cc2nccn2C1	ZINC22_2325791068	322.364	PXLULLUDPVOHAM-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078454
O=C(NCCc1cnn(c2ccccc2)n1)[C@H]1Cc2nccn2C1	ZINC22_2325791069	322.364	PXLULLUDPVOHAM-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078455
CC(c1ccc(c(c1)F)F)C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318483703	322.373	WARZOIRQPYEFNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078456
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(cc1)F	PC-id_61053007,EMOLS-id_322628932,MCULE-3454292142	322.378	SVNMGLJKABUCPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078457
s1c2c(CCC2)c(c1NS(=O)(=O)c1c(F)cccc1)C#N	PC-id_61053008	322.378	VPGOKRUWSQVRGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078458
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)NC1CC1	CoCoCo_1046308,ZINC22_6725878,PC-id_6466558,EMOLS-id_2545696,MCULE-5308412253,TIMTEC424477	322.379	RHECFLLLADFWLF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078459
C1c2c(CN1CCc1ccccn1)n(nc2)Cc1ccc(cc1)F	MCULE-9415095210,PC-id_91841945,EMOLS-id_55696425	322.379	QDQMTYFVYALDOH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-078460
c1(NC(=O)C(=O)N2CCCC2)sc2c(CCC2)c1C(=O)OC	ZINC22_6670124,EMOLS-id_4738890,MCULE-5567609319,STOCK6S-09488,PC-id_8035279	322.379	UHVMZRJFAKRIEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078461
CC1(C)NC(=O)N(CCOC(=O)c2cc3c(s2)CCC3)C1=O	PC-id_35463399,ZINC22_28136952,EMOLS-id_44494092,MCULE-1539356346	322.379	PBPGHNUFHXEQPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078462
CC(=CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	ZINC22_4870747,EMOLS-id_3157552,MCULE-6662950081,PC-id_3936832,CoCoCo_2963216	322.379	FUACFGCNSADYRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078463
CCOC(=O)c1c(NC(=O)C2CCC(=O)N2)sc2CCCc12	MCULE-5969040716,EMOLS-id_328139947	322.379	OSSSSGRKHZYBGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078464
CCOC(=O)c1c(N=N/C(=C(/O)C)/C(=O)C)sc2c1CCC2	PC-id_145963951	322.379	GCRORAYGZFZPKV-JCWAZNNPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078465
N#Cc1c(sc2c1CCC2)N(CC(C(=O)O)C)CCC(=O)O	PC-id_112479550	322.379	IHIUQCJWHBIQTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078466
N#Cc1c(sc2c1CCC2)N(CCC(=O)O)CCCC(=O)O	PC-id_95508740	322.379	KWCMEJCNVBELSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078467
N#Cc1c(sc2c1CCC2)N(C(C(=O)O)C)CC(C(=O)O)C	PC-id_112479382	322.379	AASMOMRECXZOHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078468
N#CCN(c1sc2c(c1C(=O)OCC)CCC2)CCC(=O)O	PC-id_95507940	322.379	XJSDOSUBXMTOJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078469
NC(=O)c1c(NC(=O)COC(=O)C2CCC2)sc2c1CCC2	MCULE-2516543629,EMOLS-id_33328090,PC-id_8019258,ZINC22_6639252	322.379	JPMRXQQFXLJPSJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-078470
OC(=O)CCNC(=O)c1c(NC(=O)C2CC2)sc2c1CCC2	PC-id_92943739	322.379	XPCJTZRAPFHGFI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078471
s1c2CCCc2cc1C(=O)OCC1N(C(=O)N(C(=O)C1)C)C	PC-id_75263931	322.379	DQCBWXXKCGQCJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078472
s1c2c(CCC2)c(c1NC(=O)C1CC1)C(=O)NC(=O)OCC	PC-id_7521539	322.379	FFDVPYNFSCEDHM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078473
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)C1CC1)C)C(=O)N	PC-id_8400965	322.379	LQTBHUHGSNYPLM-ZETCQYMHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078474
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)C1CC1)C)C(=O)N	PC-id_8400966	322.379	LQTBHUHGSNYPLM-SSDOTTSWSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078475
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/C)C)C(=O)N	PC-id_37291512	322.379	YLHXCIUXAKIOGM-WGAJWPLOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078476
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/C)C)C(=O)N	PC-id_37291513	322.379	YLHXCIUXAKIOGM-RYEJSQLPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078477
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1C(C1)C)C(=O)N	PC-id_45689599	322.379	OXDVSDVLMIWHDZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078478
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C1CC1)C)C(=O)N	PC-id_78686526	322.379	LQTBHUHGSNYPLM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078479
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=CC)C)C(=O)N	PC-id_74656518	322.379	YLHXCIUXAKIOGM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078480
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CCC)C(=O)N	PC-id_84919591	322.379	WNVCOAZPTJWYFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078481
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/CC)C(=O)N	PC-id_9063226	322.379	WNVCOAZPTJWYFA-XVNBXDOJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078482
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1[C@@H](C1)C)C(=O)N	PC-id_7777090	322.379	OXDVSDVLMIWHDZ-VXNVDRBHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078483
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1[C@H](C1)C)C(=O)N	PC-id_7777091	322.379	OXDVSDVLMIWHDZ-IONNQARKSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078484
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1[C@@H](C1)C)C(=O)N	PC-id_7777092	322.379	OXDVSDVLMIWHDZ-APPZFPTMSA-N	00100010100000000000000010000000000000000000000000000000	25-01-078485
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1[C@H](C1)C)C(=O)N	PC-id_7777093	322.379	OXDVSDVLMIWHDZ-CBAPKCEASA-N	00100010100000000000000010000000000000000000000000000000	25-01-078486
S1Cc2c(noc2NC(=O)c2ccc(c3ccccc3)cc2)C1	PC-id_49720085	322.381	HLEGEETYDOJKRM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078487
CC1(C)CCc2sc(NC(=O)CN3CCC(=O)NC3=O)nc12	ZINC22_333665784,EMOLS-id_102180282	322.383	BVEIHRTXVMUAHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078488
Cc1noc(c1)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100177994	322.383	MGGNGYAICCDHQC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-078489
CCC(/C(=C/1[n+]2nnnn2[C@H](C1=O)C(CC)(C)C)/C(=O)O)(C)C	NSC241200,LI_173749	322.383	RDVIWVCJWUNMDL-ZWLSGLHFSA-O	00000010100000000001000010000000000000000000000000000000	25-01-078490
CC(Oc1ccc(cn1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100972156	322.383	DCLONXTYIFDPCK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078491
CC(Oc1ncccc1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100969108	322.383	LGYVPQJDOICRGB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078492
CCOCC(=O)N1Cc2c(C1)[nH]nc2COCc1nccs1	PC-id_97520314	322.383	PAYWKPDSCHQUPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078493
CCS(=O)(=O)N1Cc2c(C1)[nH]nc2COCc1cccnc1	PC-id_97520308,CHEMBL3553784	322.383	JRTVTQCNLCDWKU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078494
COc1ncc(cc1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318944952	322.383	IJUGSJDNJXAGBU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078495
COc1ncc(cc1C)S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319231453	322.383	ZRYCXBYHVNTYPC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078496
COCCc1noc(CN(C)C(=O)c2nc3c(s2)CCC3)n1	ZINC22_622434006,EMOLS-id_316959232,MCULE-4841894116	322.383	VOVUSFYZGJJBHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078497
N#Cc1c(NC(=O)CCOCC2CCCO2)nc2n1CCS2	EMOLS-id_99355594	322.383	RSFTYGBELWTWLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078498
N#Cc1c(NC(=O)C(OCC2CCCO2)C)nc2n1CCS2	EMOLS-id_98896192	322.383	ZYUYLBBOGOFQHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078499
NC(=O)c1c(NC(=O)CN2CCNC(=O)C2)sc2c1CCC2	ZINC22_14109707,MCULE-1296306062,CoCoCo_3580539,CoCoCo_3580540,PC-id_17561870,EMOLS-id_48934435	322.383	QQXNCLALQYPPNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078500
O=C1C([n+]2n(nnn2)C1=C(C(CC)(C)C)C(=O)O)C(CC)(C)C	PC-id_428656	322.383	RDVIWVCJWUNMDL-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-078501
O=C1C([n+]2n(nnn2)/C/1=C(C(CC)(C)C)/C(=O)O)C(CC)(C)C	PC-id_5476539	322.383	RDVIWVCJWUNMDL-KTKRTIGZSA-O	00000010100000000001000010000000000000000000000000000000	25-01-078502
O=C(NC1CCC(=O)NC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005655	322.383	RHYHAKKIZIXFGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078503
s1c2CCCc2nc1NC(=O)CCC1C(NC(=O)NC1=O)C	PC-id_74630111	322.383	LJSHEONJWGCMTK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078504
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(OC)cc1	PC-id_16588354	322.383	XTWBIJJDTBPDTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078505
CSc1nc2n(n1)C(=S=N2)N(/N=Cc1ccc(cc1)F)C	PC-id_101031896	322.384	JPZXKKYDSPTKMT-AUWJEWJLSA-N	00000011100000110001000010000000000000000000000000000000	25-01-078506
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCc1ccccc1	MCULE-2952825489	322.384	BXOZFEGRNRHITK-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-078507
O=c1n2nc(CCc3ccccc3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324838141	322.384	BXOZFEGRNRHITK-KAMYIIQDSA-N	00000000110000110001000010000000000000000000000000000000	25-01-078508
S1CCn2c1nnc2NC(=O)c1ccc(c2ccccc2)cc1	PC-id_44007645	322.384	LEHQQUBYKCCWML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078509
Cc1nn(c(n1)C)C1CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99498551	322.386	UVUNBKFTTRRIAY-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-078510
CC(c1nnc2n1CCC2)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100178408	322.386	BQNANNOYFLDWOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078511
O=S(=O)(c1cnc2n1CCC2)N1CCCC(C1)n1nncc1	EMOLS-id_102232395	322.386	UVZBNTNAJXAUQD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-078512
OC(COc1ccc(cc1)F)CNCc1sc2c(n1)CCC2	PC-id_109948544	322.398	DGOUZMQUQCHBSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078513
CCOC(=O)n1cc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)C	SCHEMBL19200585	322.399	BVMOLLPGKGAXLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078514
C/C=CC(=C/C)[C@@H]1C[C@@H](c2n1nc(n2)S(=O)C(C#N)(C)C)F	PC-id_142577305	322.401	DBFDPQNZKYMJNE-ZPSNFNDSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078515
n12CCC(C(=O)N3CCCCC3)c1ccc2C(=O)c1ccccc1	MCULE-5543924112,EMOLS-id_31799143,PC-id_46925743	322.401	XLRXVIVFGOKIRM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-078516
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC(=O)CC1	EMOLS-id_328336282,MCULE-7425165409	322.401	CSKLPUUREJRDLE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-078517
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCCCC1	PC-id_52451451,ZINC22_57476759	322.401	XLRXVIVFGOKIRM-INIZCTEOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-078518
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCCCC1	PC-id_52451452,ZINC22_57476760	322.401	XLRXVIVFGOKIRM-MRXNPFEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-078519
c12CN(Cc1nn(CCC)c2C(=O)N(C)C)C(=O)OC(C)(C)C	EMOLS-id_324353386,MCULE-8255500162	322.403	ARPMIOCIQYOWKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078520
c12CN(Cc1nn(C(C)C)c2C(=O)NCC)C(=O)OC(C)(C)C	MCULE-3592511423,EMOLS-id_324355682	322.403	YBTKNIKYJBBHJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078521
c12CN(Cc1nn(CC(C)C)c2C(=O)NC)C(=O)OC(C)(C)C	MCULE-3044201541,EMOLS-id_324352622	322.403	YAOMBJIHMNKJMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078522
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)CCC(C)C)C2)n1	MCULE-2872870523,EMOLS-id_316337970	322.403	UTMJWTYRJWIVOR-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078523
c1(C(=O)NCCOC)cc2n(CC(NC(=O)CCC(C)C)C2)n1	MCULE-7164263182	322.403	UTMJWTYRJWIVOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078524
c1(cscn1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	PC-id_63047649,EMOLS-id_328054020,MCULE-1406801997	322.403	KLZLWBHXVGDVMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078525
c1(NC(=O)CS(=O)(=O)c2ccccc2)sc2c(CCC2)n1	EMOLS-id_5565564,PC-id_7254428,MCULE-3650670450,ZINC22_4496360,CoCoCo_5138366	322.403	AOAOKKNITHSDQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078526
c1(sccn1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328198164,MCULE-7627836720	322.403	ZEPYPJOWGFDVRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078527
Cc1csc(NC(=O)COC(=O)c2cc3c(s2)CCC3)n1	CoCoCo_2840999,ZINC22_9070631,MCULE-5980287280,EMOLS-id_13468881,PC-id_17446660	322.403	GLOAICDTIKUCGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078528
CC(C)(C)OC(=O)NCCCC(=O)NCc1cnc2n1CCC2	ZINC22_952994974,MCULE-4499754399,EMOLS-id_316956791	322.403	YOLLPVFNJGZQRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078529
CCn1nc2c(c1NC(=O)C)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL11913269,PC-id_68164446	322.403	FZSMLAIZLUGHNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078530
CC(N(C(=O)OC(C)(C)C)CCC(=O)N1CCn2c1ncc2)C	EMOLS-id_279043901	322.403	GRGONXQQNLARFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078531
CC(=O)Nc1nc(COC(=O)c2cc3c(s2)CCC3)cs1	ZINC22_9051343,MCULE-6522368769,CoCoCo_2840720,PC-id_16347434,EMOLS-id_11791543	322.403	VLRDODWJFISOON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078532
COC(C(=O)N1CCN(CC1)Cc1n(C)nc2c1CCC2)OC	EMOLS-id_318914347	322.403	MYSZCAUDXYRIGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078533
COC(=O)Cc1csc(n1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318379834,PC-id_43405901	322.403	KSCVUKYBOKJGCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078534
CS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	ZINC22_12728562,EMOLS-id_18814449,MCULE-6133477370,PC-id_25465773,CoCoCo_4164277	322.403	DJWHPBWGCISHMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078535
CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	EMOLS-id_24129208,MCULE-8526535188,CoCoCo_4164248,PC-id_25553041,ZINC22_12852451	322.403	TVLAQZHUCOCNDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078536
CCN(C1CC(C1)NC(=O)c1sc2c(c1)CCC2)CC(=O)O	PC-id_120437410	322.422	FCHVOBCTXPUXDS-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-078599
CS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cn1	MCULE-1974984903,PC-id_71939438,ZINC22_89490130,EMOLS-id_45639591	322.403	QNRONGJBIPIBSO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078537
NC(=O)c1c(sc2c1CCC2)NS(=O)(=O)c1ccccc1	PC-id_2489552,CoCoCo_3541081	322.403	RAMUELUJHREYST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078538
NS(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	CoCoCo_3758982,PC-id_4282182,EMOLS-id_48976531,ZINC22_4949654,MCULE-4675779521	322.403	NRNBETNAZMGLFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078539
NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	MCULE-5711943498,ZINC22_40214554,EMOLS-id_177254400,PC-id_60629388	322.403	FMYRCNSZUFOIKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078540
o1c(nc2c1CN(C2)C(=O)OC(C)(C)C)CN1CCN(CC1)C	PC-id_83949627	322.403	QEBTVPOSNRSNLJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078541
O=C(c1sc2c(c1)CCC2)Nc1ncc(s1)C1(O)COC1	MCULE-3114043120,EMOLS-id_319956148	322.403	YWBQLOROXHTGCJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-078542
O=C(c1sc2c(c1)CCC2)NCc1nc(c(s1)C)C(=O)O	EMOLS-id_319630814	322.403	YQJMJFGKSORCOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078543
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1ccccc1	CoCoCo_3532673,EMOLS-id_16683000,PC-id_17501757,MCULE-4036674618	322.403	ROLGJINZMDLSOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078544
O=C(O)Cc1csc(CNC(=O)c2cc3c(s2)CCC3)n1	EMOLS-id_316961083,ZINC22_1615051407	322.403	UWRRUPIVMMGBCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078545
OC(=O)CC(c1nccs1)NC(=O)c1sc2c(c1)CCC2	MCULE-2424547345,EMOLS-id_319919913	322.403	IDVWWFLBVLJTET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078546
s1c2CCCc2cc1CNC(=O)Nc1sccc1C(=O)O	PC-id_63114447	322.403	HXCFRHVBHFCBTN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-078547
s1c2CCCc2cc1C(=O)Nc1c(S(=O)(=O)N)cccc1	PC-id_61130336	322.403	MHLYAABCCRBHII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078548
s1c2CCCc2cc1C(=O)N(c1snc(c1C(=O)O)C)C	PC-id_79397343	322.403	IAZPLTVEOQTWCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078549
s1c2CCCc2cc1C(=O)NCc1sc(c(n1)C)C(=O)O	PC-id_63630329	322.403	JHRKQLKBLVXDNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078550
s1c2CCCc2cc1C(=O)NC(c1scc(n1)C(=O)O)C	PC-id_66379822	322.403	HOEVGAZPOJMDJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078551
s1c2CCCc2cc1C(=O)NCCc1scc(n1)C(=O)O	PC-id_66372915	322.403	CAGPYHDKQBQTNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078552
s1c2c(CCC2)c(c1NC(=O)c1sccc1N)C(=O)OC	PC-id_61111542	322.403	DFIZISHFNDXJDD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-078553
s1c2c(CCC2)c(c1NC(=O)c1sc(nc1C)C)C(=O)O	PC-id_43359872	322.403	AMWPAOYXKHDYCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078554
s1c2c(CCC2)c(c1NC(=O)Cc1nc(sc1)C)C(=O)O	PC-id_43359875	322.403	SBHXEDHGXJGVQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078555
s1c2CCCc2nc1NS(=O)(=O)c1ccc(cc1)C(=O)C	PC-id_60682782	322.403	AYASHHQOXRWQOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078556
s1c2CCCc2nc1NS(=O)(=O)c1cc(ccc1)C(=O)C	PC-id_60682784	322.403	AAWBWZKOPTVREK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078557
CCn1nc(c(c1C)C=CC(=O)c1c(C)n2c(c1C#N)CCC2)C	MCULE-5871665455,EMOLS-id_36969047,PC-id_72137613	322.404	OLKWGIDJLIWQRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078558
CCn1nc(c(c1C)/C=CC(=O)c1c(C)n2c(c1C#N)CCC2)C	PC-id_97594713	322.404	OLKWGIDJLIWQRM-HJWRWDBZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078559
CCn1nc(C)c(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)c1C	ZINC22_71893874,PC-id_56786408	322.404	OLKWGIDJLIWQRM-CMDGGOBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078560
Cn1ncc2c1CN(C2)S(=O)(=O)CCS(=O)(=O)N(C)C	MCULE-7277254129,EMOLS-id_320268525	322.404	CGQVESZZLISVGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078561
O=C(C1CC21CCc1c2cccc1)N(Cc1nnc2n1CCC2)C	EMOLS-id_318344751	322.404	WMSHQTQSULUJSH-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-078562
O=C(c1cnn2c1CCC2)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	EMOLS-id_320051585,MCULE-3317179881	322.404	DBRMDABSJPEJIM-VQFNDLOPSA-N	00100010100000110001010010000000000000000000000000000000	25-01-078563
O=C(N1CCC=C(C1)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101422833	322.404	XVJDLYRANWBTMX-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-078564
C1C(CN1C(=O)Cn1c2c(CSC2)cn1)Oc1nccs1	PC-id_90627665	322.406	WTPNXFLUCAYGGZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-078565
CCc1nnsc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_7424196,CoCoCo_2580160	322.406	FIOOGRUEJBLWOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078566
CCc1nnsc1C(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-3277491148,EMOLS-id_48769597,PC-id_35825604	322.406	BWVRLEMWLIDHTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078567
C[C@H]1CN(CCNC(=O)NCc2nnc3n2CCC3)C[C@@H](C)O1	PC-id_95133865,ZINC22_65440783	322.406	YOZDIRKLROSUCH-TXEJJXNPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078568
C[C@H]1CN(CCNC(=O)NCc2nnc3n2CCC3)C[C@H](C)O1	ZINC22_65440785,PC-id_95133866	322.406	YOZDIRKLROSUCH-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078569
C[C@@H]1CN(CCNC(=O)NCc2nnc3n2CCC3)C[C@@H](C)O1	ZINC22_65440787,PC-id_95133867	322.406	YOZDIRKLROSUCH-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078570
CCn1ncc(c1)S(=O)(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_318505438	322.406	PEFTXAMJPVCXLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078571
COCCN1CCC(C1)NC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_99442816	322.406	PWBQPJANLSEFSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078572
COCCN1CCCN(C(=O)NCc2nnc3n2CCC3)CC1	PC-id_53503622,ZINC22_65423381,MCULE-8208443880,EMOLS-id_35718920	322.406	FPAWDXAGGLDTKX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078573
CSC1Nn2c(S1)nc(c2)C(=O)Nc1cc(C)ccc1O	SCHEMBL18678317	322.406	HWDBBNFFBWXWNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078574
O1C(CN(CC1C)CCNC(=O)NCc1n2CCCc2nn1)C	PC-id_53505084,MCULE-8608537925,EMOLS-id_35714024	322.406	YOZDIRKLROSUCH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078575
s1c2c(CCC2)c(c1NS(=O)(=O)c1c([nH]nc1C)C)C#N	PC-id_43579650	322.406	TXFOVEQJDVCBOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078576
s1c2c(CCC2)c(c1NS(=O)(=O)c1[nH]c(nc1)CC)C#N	PC-id_64150028	322.406	BROTULPXFSMGGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078577
CC1CCCN(C1)CC(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_112449861	322.422	JZQGJLMJQRJJRI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078598
c1ccc(Cn2ccnc2CNCCc2nnc3n2CCC3)cc1	EMOLS-id_48235566,PC-id_75371747,ZINC22_95397391,MCULE-9020073636	322.407	WZMVFQMIPUALPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078578
CC1CC(c2n1ncn2)NCc1nccn1CCc1ccccc1	EMOLS-id_258182592,MCULE-5738208097	322.407	RZFDRANITNBOPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078579
Cc1ccc(c(c1)n1ncc(c1C)NC1CC(n2c1ncn2)C)C	MCULE-2245786489,EMOLS-id_258183666	322.407	ARVREJWHKYDBBL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078580
Cc1nn(c(c1)C)c1ccccc1CNC1CC(n2c1ncn2)C	MCULE-6650960363,EMOLS-id_320189395	322.407	YLMLVWGWUNWJJC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078581
Cc1nn(c(c1CNC1CC(n2c1ncn2)C)C)c1ccccc1	EMOLS-id_319077166	322.407	WPEUXEOIRSUXRF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078582
CC(c1nn2c(c1)CCC2)NCc1cccnc1n1ccnc1C	EMOLS-id_318836327	322.407	PZLOGWKMLXYDFM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-078583
n12CCCc1nnc2[C@@H](NCc1cn(nc1)Cc1ccccc1)C	PC-id_52640848	322.407	YXARRUXJIKMCJX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078584
n12CCCc1nnc2[C@H](NCc1cn(nc1)Cc1ccccc1)C	PC-id_52640850	322.407	YXARRUXJIKMCJX-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078585
n12CCCc1nnc2C(NCc1cn(nc1)Cc1ccccc1)C	PC-id_75889728	322.407	YXARRUXJIKMCJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078586
N#Cc1cccnc1N1CCCN(Cc2cnn3c2CCC3)CC1	EMOLS-id_320364651,MCULE-7741826217,PC-id_139020665,ZINC22_1776007326	322.407	FPVNILLXQKHUJJ-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-078587
c12SCCn1cc(CNC(=O)Nc1nnc(C3CC3)s1)n2	MCULE-9713300158,EMOLS-id_23815308,ZINC22_20909572,CoCoCo_1319094,PC-id_29212670	322.409	WNWYXLGDAUPOPF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-078588
CCc1sc(c2c1N(N)C(/C/2=C/C1CCC=CC=C1)(F)F)C	SCHEMBL19000376	322.416	MFBMHIDQESRVAY-JLHYYAGUSA-N	00000010100000000110000010000000000000000000000000000000	25-01-078589
c1(NC(=O)CCSc2ccc(cc2)F)sc2c(CCC2)n1	EMOLS-id_5566446,PC-id_7254902,ZINC22_4496843,CoCoCo_5139006,MCULE-9624821946	322.421	RCELIDRRAZVZGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078590
N/C=C/1N(C)C(c2c1cn(n2)C(F)C)CC(C1CCCCC1)O	PC-id_145352049	322.421	HWKQWJWSFKSOQR-DHDCSXOGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078591
c1(cc2c(CCC2)s1)C(=O)N1CC[C@@H]([C@H](CC1)NC(=O)C)O	EMOLS-id_171639761,BDE-33861979,MCULE-1168917595,ZINC22_257221275,PC-id_110126756	322.422	DOGMNQSGCWXRQC-STQMWFEESA-N	00000010100000000100000010000000000000000000000000000000	25-01-078592
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2654544587,EMOLS-id_334333099	322.422	LIKNYPSZUUDDBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078593
c1(NC(=O)CN2CCCC2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_3564628,SCHEMBL6203540,PC-id_727615,ZINC22_137164,MCULE-6166415418,EMOLS-id_2918764	322.422	HYBBBRRNOUIKQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078594
c1(NC(=O)CN2CCC(CC2)C)sc2c(CCC2)c1C(=O)O	MCULE-5632784816,PC-id_28866116,EMOLS-id_179130961	322.422	WLZTXLIXVAROLZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078595
c1(NC(=O)CN2CCCCC2)sc2c(CCC2)c1C(=O)OC	PC-id_6467550,EMOLS-id_2325538,ZINC22_6726901,CoCoCo_1048089,TIMTEC554433,ChEMBL-DNDi_CHEMBL9048891,MCULE-7125400714,SPECS-id_AO-476/43417555	322.422	XQGCZISQWPTJIH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078596
c1(NC(=O)CN2CCCCCC2)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130946,PC-id_28866068,MCULE-5005788758	322.422	JUTRBBVJFUVMBR-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-078597
CC(NC(=O)C=C1CSc2n1cc(c2C(=O)OC(C)C)C)C	PC-id_139819404	322.422	KZCQVFWQKXIKKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078600
CCOC(=O)c1c(NC(=O)C2CCCCN2)sc2CCCc12	EMOLS-id_328005308,MCULE-8940651041	322.422	OKJFRZSVTBBHGA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078601
CCOC(=O)c1c(NC(=O)C2CCCNC2)sc2CCCc12	EMOLS-id_327918766,MCULE-7322656000	322.422	NYSBAZSPRGYRPM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078602
CCOC(=O)c1c(NC(=O)C2CCNCC2)sc2CCCc12	EMOLS-id_327754730,MCULE-8868639105	322.422	GSXYUOMQCXWUDY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078603
CCOC(=O)c1c(NC(=O)N2CCCCC2)sc2c1CCC2	CHEMBL4588768	322.422	FZVIMSCAYJNVEC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078604
CNC(=O)/C=C/1CSc2n1cc(c2C(=O)OC(C)C)C(C)C	SCHEMBL9037607,PC-id_19903336	322.422	HUHVROUZEHXDRR-IZZDOVSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078605
CNC(=O)C=C1n2cc(c(c2SC1(C)C)C(=O)OC(C)C)C	PC-id_139819401	322.422	OCURPZLDNNFZBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078606
O=C(c1cc2c(s1)CCC2)N1C[C@@H](O)[C@H](N2CCOCC2)C1	BDE-32163176,ZINC22_257318018,PC-id_110108262	322.422	VMDOXGNTHYYTNG-CHWSQXEVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-078607
O=C(Nc1sc2c(c1C(=O)O)CCC2)CN1CCCCC1C	PC-id_112449862	322.422	VPCDQHPHFYQHQF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078608
O=C(NNC(=O)c1sc2c(c1)CCC2)COC1CCCCC1	PC-id_51117840,MCULE-9942602200,EMOLS-id_33352756	322.422	IJRVYWHQJVZDOA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078609
s1c2c(CCC2)cc1C(=O)NC1CCN(CC1)C(=O)OCC	PC-id_31369264	322.422	XBTIOGYRVKSBLV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078610
s1c2c(CCC2)c(c1NC(=O)NC1CCCCC1)C(=O)OC	PC-id_3433343	322.422	JYRVVOFESHDRDE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078611
S1c2n(cc(C(C)C)c2C(=O)OC(C)C)C(=CC(=O)NC)C1	PC-id_67755222	322.422	HUHVROUZEHXDRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078612
S1c2n(C(=C(C)C(=O)N)C1)cc(C(C)C)c2C(=O)OC(C)C	PC-id_57196823	322.422	ILICRCHFKXZGEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078613
c1(NC(=O)C2CC(=O)N(CC(C)C)C2)n(C)nc2CSCc12	EMOLS-id_188943696,MCULE-7789204884,STOCK7S-66644	322.426	SPPXCKPCTHYSAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078614
c1(NC(=O)C2CC(=O)N(C(C)(C)C)C2)n(C)nc2CSCc12	MCULE-5758856080,EMOLS-id_334563771	322.426	YORMIWPQSOPHOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078615
c1(NC(=O)CN2CCN(CC2)C)sc2c(CCC2)c1C(=O)N	PC-id_2356486,MCULE-4841493863,ZINC22_22036933	322.426	QMXAXFWCNWSXPL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078616
CCC1C(=O)NCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003600	322.426	FSOMVUWJTSWWAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078617
CC(C)CN1C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O	ZINC22_604418730	322.426	SPPXCKPCTHYSAL-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-078618
CC(C)CN1C[C@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O	ZINC22_604418731	322.426	SPPXCKPCTHYSAL-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078619
CC(C)N1CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1=O	EMOLS-id_316823998,PC-id_136521809,ZINC22_568548438,MCULE-3837699166	322.426	VILZKBGEMIRRFR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078620
CCN1CC(CC1=O)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010773	322.426	UEEBNWQBRLSZGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078621
CCN1CCN(CC1=O)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007086	322.426	GAZZLUNVRSEDFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078622
CC(N(C(=O)C1CSCN1C(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_110825256	322.426	DGULEQRFMISBGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078623
CCS(=O)(=O)N1Cc2c(Cn3cccc3)nn(C(C)C)c2C1	ZINC22_96259155,EMOLS-id_44369860,PC-id_97519243	322.426	NDKZZTJECOJAEY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-078624
CN1C[C@H](NC(=O)Nc2nc3c(s2)CCC3(C)C)CCC1=O	ZINC22_333139225	322.426	CDBKACZEGTVCAW-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078625
CN1C[C@@H](NC(=O)Nc2nc3c(s2)CCC3(C)C)CCC1=O	ZINC22_333139227	322.426	CDBKACZEGTVCAW-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-078626
O=C(C1CCCN(C1)C(=O)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99838354	322.426	SSUBTTFODFAFIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078627
O=C(C1CSCN1C(=O)c1nn2c(c1)CCC2)NC(C)(C)C	EMOLS-id_101201226	322.426	VLSQXHNWSPRKAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078628
O=C(C1CSCN1C(=O)c1n[nH]c2c1CCC2)NC(C)(C)C	EMOLS-id_110442286	322.426	MHLDPRSWTTUMCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078629
O=C(N1CCN(CC1)C(=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999925	322.426	SIIMWRHTBAHRBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078630
O=C(NC1C(C)CCNC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008871	322.426	KVBCKVQNSZDACT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078631
O=C(NC1CCCCNC1=O)Nc1sc2c(n1)C(CC2)(C)C	MCULE-5676496943,EMOLS-id_102001872	322.426	YOVNYEUBHPLISZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078632
O=C(N(C1CCN(C1=O)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003555	322.426	COIZAEJWNNMBKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078633
O=C(Nc1sc2c(n1)C(CC2)(C)C)CN1CCN(C(=O)C1)C	EMOLS-id_102164152	322.426	SDLLRHYRDBTBOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078634
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCC(=O)N(C1)C	EMOLS-id_102003558	322.426	CDBKACZEGTVCAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078635
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(C)CCC(=O)N1	EMOLS-id_102010872	322.426	UMMBQWSQRXFOBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078636
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCCC1	PC-id_7685560	322.426	ALDCTMCEOWWRIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078637
N#Cc1c(NC(=O)CSc2nncs2)sc2c1CCC2	CoCoCo_3128323,EMOLS-id_13474150,MCULE-3055145691,ZINC22_7194499,PC-id_8302594	322.429	ICIOUXHPLQJAAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078638
CC1CCCCN1C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328339358,MCULE-9117108683	322.444	STZLTCCNZQEMOC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-078639
CC1CCCN(C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2091124737,EMOLS-id_328337307	322.444	UHLDEKIRWGXYBZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-078640
CC1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1920784628,EMOLS-id_328337561	322.444	PZAZZEVNTKBBSL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-078641
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCCCC1	EMOLS-id_328339355,MCULE-8787087130	322.444	XFUWFIXQZFHQTO-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-078642
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCCCC1	MCULE-9892447774,EMOLS-id_328210046	322.444	MOOKCVFPAHQVBZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-078643
c1(NC(=O)CS(=O)C2CCCC2)sc2c(CCC2)c1C#N	EMOLS-id_320676206,MCULE-4987007984	322.446	NWJRMLGPJGBORC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078644
Cc1cc(ccc1C)S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318673547	322.446	WSDNMCTZWWQXGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078645
Cc1ccc(cc1NCc1sc2c(n1)CCC2)S(=O)(=O)C	EMOLS-id_318306362,MCULE-4194627511	322.446	AKRVJFHSQOXVKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078646
Cc1ccc(c(c1)S(=O)(=O)NCc1sc2c(n1)CCC2)C	EMOLS-id_318603974	322.446	ZPZWERJYKQMSQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078647
Cc1ccccc1S(=O)(=O)N[C@H](C)c1nc2c(s1)CCC2	ZINC22_579690046	322.446	CSZODAGBLOOBJF-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078648
Cc1ccccc1S(=O)(=O)N[C@@H](C)c1nc2c(s1)CCC2	ZINC22_579690048	322.446	CSZODAGBLOOBJF-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-078649
Cc1ccc(NCc2nc3c(s2)CCC3)cc1S(=O)(=O)C	EMOLS-id_49925448,PC-id_86785174,ZINC22_170593289,MCULE-9722914001	322.446	CZDCPKPGNRXXRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078650
Cc1c(sc(n1)CNC(=O)c1c(c2c(s1)CCC2)OC)C	PC-id_91956498	322.446	BJNVGEACBLMFFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078651
CC(c1sc2c(n1)CCC2)NS(=O)(=O)c1ccccc1C	MCULE-9520835431,EMOLS-id_316923010	322.446	CSZODAGBLOOBJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078652
CC(Cc1ccc(s1)C)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288932	322.446	RDMJAUJNMWLOEN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078653
CC(C(c1cccs1)Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104288238	322.446	LHPQDXSTBRGONY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078654
CCCC(c1cccs1)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288221	322.446	MRYRBAPICXQZGX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078655
CCOC(=O)C1CCc2c1nc(s2)NC(c1cccs1)C	PC-id_104287900	322.446	HBQDEJZTRJKLIA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078656
CCOC(=O)C1CCc2c1nc(s2)N(Cc1cccs1)C	PC-id_104287903	322.446	OBLDKJKDIAWCMZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078657
CCOC(=O)C1CCc2c1nc(s2)NCc1ccc(s1)C	PC-id_104288552	322.446	SSHCPIWOQOPYTO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078658
CCOC(=O)C1CCc2c1nc(s2)N(Cc1cscc1)C	PC-id_104287918	322.446	ODVYYVURCUVFAJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078659
CCOC(=O)C1CCc2c1nc(s2)NC(c1cscc1)C	PC-id_104288611	322.446	IDNQRSYEXQBLHW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078660
CCOC(=O)C1CCc2c1nc(s2)NCc1cscc1C	PC-id_104289091	322.446	NODDJBPKTIXFOJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078661
CCOC(=O)C1CCc2c1nc(s2)NCc1sccc1C	PC-id_104289102	322.446	LGTACEVLPHRUKC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078662
CCOC(=O)C1CCc2c1nc(s2)NCCc1cccs1	PC-id_104287613	322.446	OXFIPMDGGQYIFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078663
CCOC(=O)C1CCc2c1nc(s2)NCCc1cscc1	PC-id_104288382	322.446	MKWKUQVFOFZQFZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078664
OC(=O)C1CCc2c1nc(s2)NC(c1cc(sc1C)C)C	PC-id_104288225	322.446	XGJQJLDFBATALV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078665
OC(=O)C1CCc2c1nc(s2)N(C(Cc1cccs1)C)C	PC-id_104289068	322.446	KQKNCTYFOPPOHM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078666
OC(=O)C1CCc2c1nc(s2)NCC(c1cccs1)(C)C	PC-id_104289084	322.446	QUOOYDQZLDDULD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078667
OC(=O)C1CCc2c1nc(s2)N(C(C)C)Cc1cccs1	PC-id_104288343	322.446	AHSQZHUKEAEIEA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078668
s1c2CCCc2cc1CNc1ccc(S(=O)(=O)NC)cc1	PC-id_61208008	322.446	HDAHACDIPVNYKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078669
s1c2c(CCC2)cc1CNc1c(S(=O)(=O)NC)cccc1	PC-id_61208189	322.446	CPQTVNXNLQHGBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078670
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(cccc1N)C	PC-id_61207956	322.446	OPAJNKPKEHXOIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078671
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(cc(N)c1)C	PC-id_61207389	322.446	MCBSNTZAFJTUET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078672
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(ccc(N)c1)C	PC-id_61208340	322.446	RDSXXPRONAFQCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078673
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(cc(N)cc1)C	PC-id_61207761	322.446	VUPZLONQPPICIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078674
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(c(N)cc1)C	PC-id_64169299	322.446	IGMVAMVZVUQROA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078675
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(c(N)ccc1)C	PC-id_61206638	322.446	VDCGSOSBVGJQMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078676
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(N)c(cc1)C	PC-id_61209125	322.446	YEGAGWVZBUXPAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078677
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(N)cc(cc1)C	PC-id_61207760	322.446	JUXMDRLAFZFCOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078678
s1c2c(CCC2)cc1CNS(=O)(=O)Cc1ccc(N)cc1	PC-id_61206826	322.446	ROIYZWZGIXCONP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078679
s1c2c(CCC2)cc1CNS(=O)(=O)Cc1cc(N)ccc1	PC-id_61207391	322.446	PQTQNIKQZOLUDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078680
s1c2c(CCC2)cc1CNS(=O)(=O)Cc1c(N)cccc1	PC-id_62021097	322.446	JQALSZHJALIJNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078681
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C)C(=O)N	PC-id_3534899	322.446	ZJGXDWHDMUTXSH-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-078682
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)N	PC-id_84868799	322.446	XTNNBRJTLWLMIF-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-078683
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)N	PC-id_3534898	322.446	KPNGPEWCPNHAGO-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-078684
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)N	PC-id_8903695	322.446	XTNNBRJTLWLMIF-SNVBAGLBSA-O	00000010100010000000000010000000000000000000000000000000	25-01-078685
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)N	PC-id_8903697	322.446	XTNNBRJTLWLMIF-JTQLQIEISA-O	00000010100010000000000010000000000000000000000000000000	25-01-078686
S(=O)(=O)(Nc1sc2CCCc2n1)c1c(cc(cc1C)C)C	PC-id_3389768	322.446	MJYUGKMUAKQCQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078687
c1(C(=O)NCCc2csc(CSC)n2)c2CCCc2[nH]n1	PC-id_77097984,MCULE-9478222889,EMOLS-id_49900153,ZINC22_216507928	322.449	URACKVPSMZINNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078688
CCc1nc(c(s1)C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_99823060	322.449	VKPMNIIQPPQVPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078689
CC(C)C[C@@H](CN(C)C)NC(=O)N(C)Cc1nnc2n1CCC2	PC-id_95271451,ZINC22_69322226	322.449	WVUQWSLZMQTKFP-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078690
CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1nnc2n1CCC2	PC-id_95271452,ZINC22_69322230	322.449	WVUQWSLZMQTKFP-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078691
CCCC(CNC(=NCc1nnc2n1CCC2)NCC)CCO	PC-id_111712941	322.449	BQBGVSAFECIGPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078692
CC(CC(NC(=O)N(Cc1nnc2n1CCC2)C)CN(C)C)C	PC-id_53520836,MCULE-5419655757,EMOLS-id_36273579	322.449	WVUQWSLZMQTKFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078693
CCCCOCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020285	322.449	APOMAQDMKFBEEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078694
CC(C)n1c(S)nnc1CNC(=O)c1cc2c(s1)CCC2	EMOLS-id_50318425,ZINC22_109056945,PC-id_98956122,MCULE-7907841799	322.449	NFYPOVUZBWWWSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078695
CCn1c(S)nnc1CCNC(=O)c1cc2c(s1)CCC2	ZINC22_109058649,MCULE-2046369548,PC-id_98956468,EMOLS-id_50318471	322.449	FQQUVECPFFIZDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078696
CCNC(=NCc1nnc2n1CCC2)NCC(C(C)(C)C)OC	PC-id_111710945	322.449	PDEYPZPFITTYCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078697
CCNC(=NCc1nnc2n1CCC2)NCCCOCC(C)C	PC-id_111020527	322.449	QPRHXDNMBJMGKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078698
CCNC(=NCc1nnc2n1CCC2)NCCOCCC(C)C	PC-id_111020609	322.449	QJAMCCFJZYIJHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078699
CCOC(C(C)C)CCNC(=NC)NCc1nnc2n1CCC2	PC-id_111717742	322.449	VJHHAAZRCSYKFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078700
S1(=O)(=O)C(c2c(C1CCCCC=C)coc2)CCCCC=C	PC-id_85626790	322.462	HWMKOSMCXQOKMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078701
CCOC(C1(c2c(C(O1)(C)C)sc(=S)s2)O)OCC	SCHEMBL12609298,PC-id_86671376	322.464	ITMWJMCHFQKNFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078702
CN(CCN1CC(c2c1scc2)Sc1ccccc1F)C	SCHEMBL5238944,PC-id_69366536	322.464	JIXLUTILMYZGEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078703
CN(CCN1CCc2c1sc(c2)Sc1ccccc1F)C	SCHEMBL5238951,PC-id_69366540	322.464	WQQVMXKCJQBJEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078704
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)C1CCSCC1	MCULE-2143931624,EMOLS-id_330978495	322.466	SSNYJOXKPJJSLP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078705
c1(C(=O)OC(C)(C)C)c2CSCc2nn1CC1CCCCC1	MCULE-8378337927,EMOLS-id_324397659	322.466	ILUYANMXGNGDEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078706
CC1CCN(CC1)CC(CNC(=O)c1sc2c(c1)CCC2)O	PC-id_112302964	322.466	HNKJLCBELJAULI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078707
CC1OC(C)CN(C1)CCCNC(=O)c1sc2c(c1)CCC2	MCULE-5539983029,PC-id_71896943,EMOLS-id_44528002	322.466	YSHPNXRYLOIHAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078708
CC1OC(C)CN(C1)C(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_45882962,MCULE-1027674848,EMOLS-id_31891029	322.466	GYQBWMVVZALSAB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078709
CCC1OCCC(C1)CC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181812	322.466	OBSZBRGOKJGBCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078710
CC[C@](C)(CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1	PC-id_51943601,ZINC22_40092733	322.466	REJDNHRJQJGULC-QGZVFWFLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078711
CC[C@@](C)(CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1	ZINC22_40092730,PC-id_51943600	322.466	REJDNHRJQJGULC-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078712
CC(C)[C@@H](CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1	PC-id_52283605,ZINC22_48248533	322.466	JHZHWTALOXCGQQ-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078713
CC(C)[C@H](CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1	ZINC22_48248537,PC-id_52283606	322.466	JHZHWTALOXCGQQ-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078714
CC(C)CN1CCO[C@@H](CNC(=O)c2cc3c(s2)CCC3)C1	ZINC22_32268681	322.466	VMTDFNUCSNDDNL-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078715
CC(C)CN1CCO[C@H](CNC(=O)c2cc3c(s2)CCC3)C1	ZINC22_32268682	322.466	VMTDFNUCSNDDNL-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078716
CC(C(N1CCOCC1)CNC(=O)c1sc2c(c1)CCC2)C	MCULE-4780820188,PC-id_51112473,EMOLS-id_31876636	322.466	JHZHWTALOXCGQQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078717
CCC(N1CCOCC1)(CNC(=O)c1sc2c(c1)CCC2)C	PC-id_45887298,EMOLS-id_31891437,MCULE-2764248559	322.466	REJDNHRJQJGULC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078718
CC(CN1CCOC(C1)CNC(=O)c1sc2c(c1)CCC2)C	PC-id_53512490,EMOLS-id_31857061,MCULE-3055413681	322.466	VMTDFNUCSNDDNL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078719
C[C@H]1CN(CCCNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1	PC-id_94151887,ZINC22_47681697	322.466	YSHPNXRYLOIHAS-BETUJISGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078720
C[C@H]1CN(CCCNC(=O)c2cc3c(s2)CCC3)C[C@H](C)O1	ZINC22_47681698,PC-id_94151888	322.466	YSHPNXRYLOIHAS-STQMWFEESA-N	00000010100010000001000010000000000000000000000000000000	25-01-078721
C[C@@H]1CN(CCCNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1	ZINC22_47681700,PC-id_94151889	322.466	YSHPNXRYLOIHAS-CHWSQXEVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078722
C[C@@H]1CN([C@H](C)CNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1	CoCoCo_4851368,ZINC22_106046452,PC-id_98717587	322.466	GYQBWMVVZALSAB-JHJVBQTASA-N	00000010100010000001000010000000000000000000000000000000	25-01-078723
C[C@H]1CN([C@H](C)CNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1	CoCoCo_4851369,ZINC22_106046450,CoCoCo_4851366,PC-id_98717586	322.466	GYQBWMVVZALSAB-UPJWGTAASA-N	00000010100010000001000010000000000000000000000000000000	25-01-078724
C[C@H]1CN([C@@H](C)CNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1	CoCoCo_4851373,CoCoCo_4851370,ZINC22_40087857,PC-id_51940721	322.466	GYQBWMVVZALSAB-RWMBFGLXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078725
C[C@@H]1O[C@@H](C)CN(C1)[C@@H](CNC(=O)c1sc2c(c1)CCC2)C	CoCoCo_4851367	322.466	GYQBWMVVZALSAB-AGIUHOORSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078726
c1(snc2CCCc12)NC(=O)c1ccccc1Br	PC-id_54774446,MCULE-8738218737	323.208	OTSSKHRETYVPJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078986
C[C@@H]1O[C@@H](C)CN(C1)[C@H](CNC(=O)c1sc2c(c1)CCC2)C	CoCoCo_4851371,PC-id_51940722	322.466	GYQBWMVVZALSAB-AVGNSLFASA-N	00000010100010000001000010000000000000000000000000000000	25-01-078727
C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N1C[C@@H](C)O[C@H](C)C1	CoCoCo_4851372,PC-id_51940723,ZINC22_40087859	322.466	GYQBWMVVZALSAB-YNEHKIRRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078728
CC(N1CCC(CC1)(O)CNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_100049010	322.466	OSTSAIZYAFMTTK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078729
CCOCCN(C/C=C(/C(=O)NC1Cc2c(C1)ccs2)C)C	PC-id_142858774	322.466	FLCDBCLRYKSFLJ-WLRTZDKTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078730
CN(C)C1(CCCC1)CNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956517	322.466	COTXKERHMABBIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078731
COCCn1/c(=N/C(=O)C2C(C2(C)C)(C)C)/sc2c1CCC2	SCHEMBL3384763	322.466	NATNEDXOLUFHMJ-SDXDJHTJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-078732
OCC1CCCN1CCCCNC(=O)c1sc2c(c1)CCC2	PC-id_112355360	322.466	OKLHQWHZPLKOBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078733
O=C(C(C1CCOCC1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181899	322.466	OTJWNMABBVIQIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078734
O=C(N1CCC(C1)NCc1sc2c(c1)CCC2)OC(C)(C)C	PC-id_103801913	322.466	SEPBEFCAFYXSQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078735
O=C(OC(C)(C)C)NC1CC(C1)NCc1sc2c(c1)CCC2	PC-id_103759585	322.466	BLCGEBOZTVXQOC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-078736
s1c2c(CCC2)c(c1NC(=O)CC(CC(C)(C)C)C)C(=O)N	PC-id_60001390	322.466	JGSKOJBIISTWGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078737
s1c(=NC(=O)C2C(C2(C)C)(C)C)n(c2c1CCC2)CCOC	PC-id_68622368	322.466	NATNEDXOLUFHMJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-078738
c12SCCn1cc(CNC(=O)CCN1CCCCCCC1)n2	EMOLS-id_31607013,ZINC22_55118801,PC-id_46986260,MCULE-8816240108	322.469	UJFNACTZALAUOT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078739
CC1CCC(C(C1)C)NC(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99816664	322.469	KHQKXEFMNGEZDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078740
CC1CCCC(CC1)NC(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99900219	322.469	RQKWRXKARXOTCN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078741
CC1CN(CC(C1)(C)C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99859307	322.469	ULVCCQXGXXAOQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078742
CCC1(C)CCCN(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99896220	322.469	XGLKLCKPTJHDBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078743
CCC1(C)CCN(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99912375	322.469	SDLACULKWVWYKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078744
CCC1(CC)SCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420415	322.469	DBNOUGVAQDVFTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078745
CCN1CCC(CC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999961	322.469	FWQWBKVDVQHOPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078746
CCSC1CCCCC1NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101370832	322.469	JOYQKGQKAFXSMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078747
CCSC1CCCC(C1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101646190	322.469	KVNVIVWWJDEQNT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078748
CCSC1CCCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579271	322.469	QPTFWJQOFLYZHW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078749
CN1CCC(CC1)N(C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_319177261	322.469	NYZXONGXDNERPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078750
CNCCC1CCN(CC1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_120187190	322.469	BXXBMIJBKHHCAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078751
CSCC1CCC(CC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101423019	322.469	GQJZVWKSKHDWDP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078752
O=C(N1CCC(C1)C(C)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99861260	322.469	ZVCOKUKENWVRCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078753
O=C(N1CCCNC(C1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_319548715	322.469	FYUCFAFNRPIZNJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-078754
O=C(NC1CCC(CC1)(C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_99927348	322.469	OQUVBQIEMZYTPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078755
O=C(NC1(C)CCCCC1C)NCCc1cn2c(n1)SCC2	EMOLS-id_101654809	322.469	WDDRYYJGIIZVMK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078756
s1c2CCCc2nc1NC(=O)CN1CCN(CC1)CC(C)C	PC-id_60503389	322.469	LUPUHOWTBUZWHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078757
CCNC(=NCc1nnc2n1CCC2)N1CCSC(C1)CC	PC-id_109485191	322.472	DZEORLZZDVDIGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078758
CCNC(=NCc1nnc2n1CCC2)N1CCSC(C1)(C)C	PC-id_109487955	322.472	MAZAWXPRSRTKNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078759
CCNC(=NCc1nnc2n1CCC2)NC1CCC(C1)SC	PC-id_111529587	322.472	FBWPKIVSUQTWJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078760
CCNC(=NCc1nnc2n1CCC2)NCC1(C)CCCS1	PC-id_109740597	322.472	NBJYTGQARQPYHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078761
CN=C(N1CCSC(C1)C(C)C)NCc1nnc2n1CCC2	PC-id_109565691	322.472	XIAVYEPQPBDJJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078762
CC(CC(c1cccs1)O)NC(c1sc2c(n1)CCC2)C	PC-id_109908809	322.489	FWAWJRLQOYDFOB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078763
s1c2c(CCC2)cc1C(=O)NC1(CCCCCC1)C(=S)N	PC-id_61119379	322.489	VCOZKQOOHWBCRD-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-078764
s1c2c(CCC2)cc1C(=O)NC(C1CCCCC1)C(=S)N	PC-id_61122789	322.489	HRLIJJWAFATVSF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078765
s1c2CCCc2nc1C(NCCOC)c1c(sc(c1)C)C	PC-id_62541747	322.489	HCMSRPZWHRJMBM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078766
s1c2CCCc2nc1C(NCCOC)c1sc(cc1)CC	PC-id_62541922	322.489	MXYRBLAOCUWFLB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-078767
s1c(C(=O)NC2(CCC(CC2)C)C(=S)N)cc2CCCc12	PC-id_61120739	322.489	VTBQFBCZXAGCOA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-078768
Cc1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324843232	322.727	SFSONMDUXKMZAQ-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078769
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)C	MCULE-2263145914	322.727	SFSONMDUXKMZAQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078770
c1(C(=O)Nc2c(OC)cc(c(OC)c2)Cl)c2CCCc2on1	TIMTEC518883,MCULE-6890008212,ChEMBL-DNDi_CHEMBL1467730,PC-id_3238190,EMOLS-id_2593876,BindingDB_PC-id_3238190,CHEMBL1467730,BindingDB-id_115939,ZINC22_426303	322.744	WCJZAHCKVCPTMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078771
Clc1ccc(cc1)N(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_69481321,SCHEMBL5542298	322.747	QHGASBXWKSPEPT-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078772
Clc1ccc(cc1)N(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_69481324,SCHEMBL5542312	322.747	QHGASBXWKSPEPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078773
Clc1ncc(CN2c3n(CC2)c(c(OC)c3[N+](=O)[O-])C)cc1	SCHEMBL14646135,PC-id_71518118	322.747	WEUGUUBLDNKQLQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078774
COc1c(Cl)cc(cc1OC)NC(=O)N1CCn2c1ncc2	MCULE-4923963157,EMOLS-id_318658350	322.747	DCJDVMOZEZPOKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078775
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2Cl)F)n1	MCULE-3732328933,EMOLS-id_330991352	322.762	FYTHJFOGDMXKGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078776
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2F)Cl)n1	EMOLS-id_330990329,MCULE-5105032300	322.762	YEHQWQJJEDUFEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078777
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(cccc2F)Cl)n1	EMOLS-id_330991096,MCULE-7458263985	322.762	RXPDRMHKEBZVLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078778
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)F)n1	EMOLS-id_330993656,MCULE-3182582431	322.762	BBXXUBQRFHUTEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078779
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(Cl)c2F)n1	MCULE-4154517809,EMOLS-id_330989817	322.762	HRNYCUYXNLWRHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078780
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(F)c2Cl)n1	EMOLS-id_330991864,MCULE-8173236894	322.762	GETLRGBPTLLNQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078781
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(F)c2)Cl)n1	EMOLS-id_330991865,MCULE-6200522391	322.762	NEJMVBCCPCHRMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078782
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(Cl)cc(F)c2)n1	MCULE-3478042441,EMOLS-id_330990073	322.762	GUUXBMASNQPLFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078783
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)ccc2Cl)n1	MCULE-9179413697,EMOLS-id_330991608	322.762	SQCKCHDTOFODRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078784
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1Cl)F	MCULE-9174774641,EMOLS-id_330977203	322.762	ZUNZBMPGLXUYJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078785
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1F)Cl	EMOLS-id_330976180,MCULE-3545609712	322.762	QZPOVCSQVNHCKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078786
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(Cl)c1F	EMOLS-id_330975668,MCULE-4679898820	322.762	OSOJBTTVCKODCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078787
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)F	MCULE-7673817588,EMOLS-id_330975412	322.762	LFCFVAYDQNXAGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078788
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)Cl	EMOLS-id_330973621,MCULE-4177156990	322.762	AFKARDVDDZWMPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078789
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(F)c1Cl	MCULE-1230922510,EMOLS-id_330973620	322.762	LGEOOVABPXOIQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078790
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(Cl)cc(F)c1	MCULE-2194247086,EMOLS-id_330975924	322.762	WUQVSDMSQIMKOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078791
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)ccc1Cl	EMOLS-id_330973364,MCULE-6388834185	322.762	DCACDHNJYZEUAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078792
COC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1Cl	MCULE-5933776045,EMOLS-id_330976947	322.762	VJGRFEJEXOJWJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078793
O=C(c1ccc(c(c1F)Cl)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318663208	322.765	WKSHXYPTDHESKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078794
O=C(Cc1cccc(c1F)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318475298	322.765	KUTZUMAXRGXSMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078795
O=C(Cc1c(F)cccc1Cl)NCCc1nnc2n1CCC2	ZINC22_54562523,PC-id_53503427,MCULE-9949154728,EMOLS-id_35688770	322.765	LPBLXSYEPSVSCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078796
Clc1ccc(nc1)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_64395575	322.767	DLQDKLBZZQKLIH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078797
Clc1cc(ncc1)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_43625188	322.767	VJCGNWHVHJHXKO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078798
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)O)ccnc1	PC-id_66464762	322.767	NPWMUUMIVBXFTF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078799
Clc1nccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108083147	322.767	HYCBZDJGXCGHLF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078800
Clc1ncc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)cc1	PC-id_43359870	322.767	OGEBIZWZNQCXKK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078801
Clc1nc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)ccc1	PC-id_62240244	322.767	OUSHPUPKVNFRMW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078802
O=C(c1cccnc1Cl)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108083150	322.767	CDMAQBRMRFNHLZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078803
O=C(c1cnccc1Cl)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108083152	322.767	RHVFMOPEOMWSIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078804
Clc1cncc(n1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_108074000	322.77	VGXICFOMOIDWOJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078805
Clc1ncc(nc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_107371972	322.77	ZJJLDEGWSPXIGU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078806
Clc1nnc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_61216530	322.77	SKFXYGSIQAQVHX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078807
Clc1c(C=NNC(=O)c2sc3CCCc3c2)c(F)ccc1	PC-id_85015463	322.785	UULHUUYQXBBGMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078808
CC1CCc2c1c(CCl)nn2Cc1ccc(OCCF)cc1	MCULE-1373597357,EMOLS-id_331023115	322.805	XCJYFHSCLRKJLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078809
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(CCl)c12	MCULE-6291355622,EMOLS-id_331007157	322.805	GYLYPAPQYDBNGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078810
CCOc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1F	MCULE-3890795768,EMOLS-id_331006901	322.805	BIZHYGXHDCIZCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078811
CCOc1ccc(Cn2nc3CCC(C)c3c2CCl)c(F)c1	MCULE-9959251879,EMOLS-id_331007413	322.805	YPDDLZRGQRFYLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078812
CCOc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1F	EMOLS-id_331022859,MCULE-2518785978	322.805	GBVVFEOBMFXVJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078813
CCOc1ccc(Cn2nc(CCl)c3C(C)CCc23)c(F)c1	EMOLS-id_331023371,MCULE-6432324202	322.805	XOPLMJBOVBGLCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078814
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006143,MCULE-8290287523	322.805	LEEOQNWAHJNNMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078815
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1CCl	MCULE-9317960261,EMOLS-id_331007932	322.805	FOSMGTJVIFGEOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078816
COc1cccc(C(C)n2nc3CCC(C)c3c2CCl)c1F	MCULE-2027145796,EMOLS-id_331006655	322.805	UPCNQJHFPZMSPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078817
COc1ccc(C(C)n2nc3CCC(C)c3c2CCl)c(F)c1	MCULE-1855875880,EMOLS-id_331007676	322.805	XLGAEMWHVXYYAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078818
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331011248,MCULE-4337247666	322.805	OLMMHFXFHQRZEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078819
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331010992,MCULE-1423449290	322.805	DXVIKEYLROSLML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078820
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006399,MCULE-9658333572	322.805	OTNUVFFEXSVSKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078821
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1CCl	MCULE-9985766668,EMOLS-id_331009213	322.805	YTHZMUOGFAVOGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078822
Clc1c(C(=O)c2sc3CCCc3c2)cc(OC)c(OC)c1	PC-id_43463588	322.807	YHPOASGMIZTQNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078823
COc1ccc(c(c1Cl)OC)C(=O)c1sc2c(c1)CCC2	PC-id_116464362	322.807	MJMFSJHHNSAWFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078824
Clc1cccc(c1F)C(CNC1CC(n2c1ncn2)C)(C)C	EMOLS-id_318717266,MCULE-9211019246	322.808	OLUZGZVOERNZPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078825
Fc1ccc(c(c1)Cl)C(CNC1CC(n2c1ncn2)C)(C)C	MCULE-1452659716,EMOLS-id_318416599	322.808	HJYCZHRCVHLHOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078826
C1c2c(CN1CCOc1ccc(cc1)Cl)sc(c2)C(=O)N	PC-id_91194105	322.81	DQQUVAQRQRFGEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078827
Cc1cc(Cl)ccc1OCC(=O)Nc1nc2c(s1)CCC2	MCULE-7134047766,CoCoCo_4164067,PC-id_24242026,EMOLS-id_43971848,ZINC22_15636433	322.81	PYZBJSIJRYWUHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078828
Cc1c(Cl)ccc(OCC(=O)Nc2sc3c(CCC3)n2)c1	EMOLS-id_17194726,CoCoCo_4164124,MCULE-6241654203,PC-id_24242607,ZINC22_15636536	322.81	MFGSRFOCVWPTJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078829
Cc1cc([N+](=O)[O-])c(cc1NCc1sc2c(c1)CCC2)Cl	PC-id_115555762	322.81	CJJRRSGVRUAJIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078830
CC(C(=O)Nc1sc2c(CCC2)n1)Oc1ccc(Cl)cc1	MCULE-8611416961,PC-id_42892004,EMOLS-id_24030800	322.81	BFDDOASAHRWITO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078831
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4164094,PC-id_26723125,ZINC22_15636487	322.81	BFDDOASAHRWITO-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-078832
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_15636486,CoCoCo_4164093,PC-id_26723124	322.81	BFDDOASAHRWITO-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078833
CCOC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)Cl	PC-id_104287580	322.81	KAVWRZXJNAGYPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078834
CCOC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)Cl	PC-id_104287586	322.81	MEIFOHSWPWMWRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078835
CCOC(=O)C1CCc2c1nc(s2)Nc1ccccc1Cl	PC-id_104287599	322.81	NRMPDYUJXPRGNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078836
Clc1cc2c(s1)CCC2Nc1cc([N+](=O)[O-])c(cc1C)C	PC-id_104757363	322.81	DSIJDZNEGQKJGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078837
Clc1cc(CNCc2sc3c(CCC3)c2)c([N+](=O)[O-])cc1	PC-id_78998773	322.81	WKRMOBZSPUDFKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078838
Clc1c(CNCc2sc3c(CCC3)c2)ccc([N+](=O)[O-])c1	PC-id_61970432	322.81	VPWPIZANNGVQIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078839
Clc1c(CNCc2sc3c(CCC3)c2)cc([N+](=O)[O-])cc1	PC-id_61207402	322.81	NXKRSTKGZGEAOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078840
Clc1c(CNCc2sc3c(CCC3)c2)c([N+](=O)[O-])ccc1	PC-id_63747670	322.81	WVNKAMMNRGTJBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078841
Clc1cc([N+](=O)[O-])c(CNCc2sc3c(CCC3)c2)cc1	PC-id_62100439	322.81	JPJWOMQFEHBETD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078842
Clc1cc(OC(C(=O)Nc2sc3CCCc3n2)C)ccc1	PC-id_46564993	322.81	SPHMAQGQUREVTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078843
Clc1c([N+](=O)[O-])cc(CNCc2sc3c(CCC3)c2)cc1	PC-id_78942252	322.81	OFPNKQQTMWJEDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078844
Clc1sc2c(c1)C(CC2)Nc1cc(C)c(cc1C)[N+](=O)[O-]	PC-id_103144951	322.81	VAEKBFMNNWCGCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078845
Clc1sc2c(c1)C(CC2)NCc1cccc(c1C)[N+](=O)[O-]	PC-id_103114592	322.81	QEOCFKLTTZEQME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078846
Clc1sc2CCC(Nc3ccc(NC(=O)OC)cc3)c2c1	PC-id_81235321	322.81	LPBWDAKXBNCLDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078847
Clc1sc2CCC(Nc3ccc(OCC(=O)N)cc3)c2c1	PC-id_81234394	322.81	GODHWZHOCBONSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078848
Clc1sc2CCC(Nc3cc(NC(=O)OC)ccc3)c2c1	PC-id_81246557	322.81	FYQQZMOHGHMFGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078849
Clc1sc2CCC(Nc3cc([N+](=O)[O-])c(cc3)CC)c2c1	PC-id_81235584	322.81	BPQNZQKCCQFMCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078850
Clc1sc2CCC(Nc3cc(OCC(=O)N)ccc3)c2c1	PC-id_81234686	322.81	YWYLMFOCIVURNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078851
Clc1sc2CCC(Nc3c([N+](=O)[O-])cc(c(c3)C)C)c2c1	PC-id_81246937	322.81	HTWKVTRYAFPIHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078852
Clc1sc2CCC(Nc3c(OC)ccc(c3)C(=O)N)c2c1	PC-id_81234260	322.81	SLXOINGTVZRVRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078853
Clc1sc2c(C(NC(c3cc([N+](=O)[O-])ccc3)C)CC2)c1	PC-id_81235906	322.81	RTBBNFICGOYAPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078854
Clc1sc2c(C(NCCc3ccc([N+](=O)[O-])cc3)CC2)c1	PC-id_81246928	322.81	XZTMQJZRXOAOOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078855
O=C(c1ccc(c(c1)O)Cl)NCCc1sc2c(n1)CCC2	EMOLS-id_319049395	322.81	QWHFJTPYAVEJKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078856
OC(=O)C1CCc2c1nc(s2)N(Cc1cccc(c1)Cl)C	PC-id_104288135	322.81	VZUJGIVLXBLBEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078857
OC(=O)C1CCc2c1nc(s2)NC(c1ccc(cc1)Cl)C	PC-id_104288266	322.81	GJQFJGKIHGIXCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078858
OC(=O)C1CCc2c1nc(s2)NC(c1cccc(c1)Cl)C	PC-id_104288328	322.81	XFISRXQUHWWXMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078859
OC(=O)C1CCc2c1nc(s2)NC(c1ccccc1Cl)C	PC-id_104288336	322.81	IQJXHJVJOCPQFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078860
OC(=O)C1CCc2c1nc(s2)N(Cc1ccc(cc1)Cl)C	PC-id_104288473	322.81	YSHBSHJHGPXDJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078861
OC(=O)C1CCc2c1nc(s2)N(Cc1ccccc1Cl)C	PC-id_104288522	322.81	COANFIZGGMYZMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078862
OC(=O)C1CCc2c1nc(s2)NCCc1ccc(cc1)Cl	PC-id_104288418	322.81	MAONWIAHXRUPHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078863
CCNc1ncc(cc1Cl)C(=O)Nc1sc2c(n1)CCC2	PC-id_62176859,EMOLS-id_318379577	322.813	XXLBMFHUYUPVRP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078864
CCNc1ncc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_114923044	322.813	BTLSTRYFTWWNPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078865
Clc1c(nc(nc1)C(C)C)C(=O)Nc1sc2CCCc2n1	PC-id_62022082	322.813	WDCJXQILFACHGA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078866
Clc1c(nc(NCC)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_62176503	322.813	SKRZWCVGCLLIJX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078867
Clc1nc(NCC)cc(C(=O)Nc2sc3CCCc3n2)c1	PC-id_62176679	322.813	KGTFYTBTUQIFGC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078868
ClC(=CC1Sc2n(N1)c(nn2)CC)c1ccc(OC)cc1	PC-id_10758225	322.813	QSNGYILFQUVRMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078869
CSc1ccc(Cl)c(C(=O)NCc2nnc3n2CCC3)c1	ZINC22_32889100,PC-id_40124237,EMOLS-id_23963685,MCULE-3283223723,CoCoCo_4560467	322.813	NEZGDVCMDWEWOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078870
Clc1ccc(c(c1)C(c1sc2c(n1)CCC2)NC1CC1)F	PC-id_114859240	322.828	AMZSWPHUCIUJHY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-078871
Clc1ccc(c(c1)F)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_114859238	322.828	FIEBZIWVSBUSJJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-078872
Clc1cc(C(NC2CC2)c2sc3c(n2)CCC3)ccc1F	PC-id_81152505	322.828	NSQZZJBKHMNIHB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-078873
Clc1c(C(NC2CC2)c2sc3c(n2)CCC3)c(F)ccc1	PC-id_61335283	322.828	BPKZXTPGFZNMGG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-078874
Clc1c(F)cc(C(NC2CC2)c2sc3c(n2)CCC3)cc1	PC-id_61650583	322.828	VVKZHXXAQBTKSO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-078875
Fc1ccc(c(c1)Cl)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_108298504	322.828	FNZMKPQOUKDUDA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-078876
Fc1cc(Cl)cc(c1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_114453985	322.828	ROBKPLOCZGAPRG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-078877
Fc1c(Cl)cccc1C(c1sc2c(n1)CCC2)NC1CC1	PC-id_114488418	322.828	LVAPYIJNZJTKLY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-078878
ClCCCS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_43654088	322.831	QRNKNVPPFCTALF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078879
ClC(c1sc2c(CCC2)c1)c1c(cc(OC)c(OC)c1)C	PC-id_63435174	322.85	WAWCMWKALYBWSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078880
ClC(c1sc2c(CCC2)c1)Cc1cc(OC)c(OC)cc1	PC-id_63018124	322.85	CFHXYRLVBDKUNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078881
CC(c1sc2c(n1)CCC2)NCC(c1ccccc1Cl)O	PC-id_110017300	322.853	RAGMWPQWVWQFCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078882
CCn1nc(c(c1CC(=O)c1sc2c(c1)CCC2)Cl)CC	PC-id_115778684	322.853	SQTUTMMKBKHNFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078883
CCNC(c1c(Cl)cccc1OC)c1sc2c(n1)CCC2	PC-id_104816948	322.853	BHRPMBAUAJTUOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078884
Clc1ccc(cc1)C(CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908378	322.853	QSWHRDKHZFSNIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078885
Clc1ccc(cc1)C(C(NCc1sc2c(n1)CCC2)C)O	PC-id_109948684	322.853	LSXBSOSANLICAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078886
Clc1ccc(C(NCCOC)c2sc3CCCc3n2)cc1	PC-id_62542254	322.853	OKNHODDAENGMNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078887
Clc1cc(C(NCC)c2sc3CCCc3n2)ccc1OC	PC-id_65027030	322.853	YXNCZJZKHLTAKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078888
Clc1cc(C(NCCOC)c2sc3CCCc3n2)ccc1	PC-id_62541928	322.853	RKXOIRABLDQAPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078889
Clc1c(C(NCCOC)c2sc3CCCc3n2)cccc1	PC-id_62542258	322.853	LEFGKDXPUUQEFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078890
Clc1sc2CCC(NCc3c(OC(C)C)nccc3)c2c1	PC-id_81246119	322.853	YKXFFMTVDVENLW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078891
NNC(c1sc2c(c1)CCC2)Cc1cc(Cl)ccc1OC	PC-id_105297570	322.853	DENVPQRREDZNBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078892
OCC(c1ccc(cc1)Cl)NC(c1sc2c(n1)CCC2)C	PC-id_110017299	322.853	NZJOOXBXXMJYLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078893
Clc1sc2c(C(NCC(NS(=O)(=O)C)(C)C)CC2)c1	PC-id_81251430	322.874	SSMWVMCTKIASTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078894
Clc1nc2SCCn2c1CSCCNC(=S)NC	PC-id_50878399	322.901	DTKWELRIZRDCJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078895
C1CN2C=NC=C2C1NC3=C(C=C(C=N3)[N+](=O)[O-])Br	PC-id_154764739,MCULE-5792201157,EMOLS-id_257938766	323.002	HEPKFALWRQRAPE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078896
CC(C1=CN(N=C1)C)C(=O)N2CCN3C2=C(C=N3)Br	MCULE-4466716009,PC-id_154786558,EMOLS-id_317758925	323.038	HYEZQCOEBMXOOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078897
CCC1CCC2=C(N(C=C12)S(=O)(=O)C3=CC(=CC=C3)Cl)C	PC-id_161796498	323.075	XSCDUTNKDRTOGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078898
C#COc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)C(=O)O	PC-id_164112968	323.079	UWWWTTMNGGCFAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078899
CC1=CC(=CC(=C1F)C)S(=O)(=O)NC2=C3CCCC3=NN2C	PC-id_154736151,EMOLS-id_317930949	323.11	MSBFVNPRGBPSKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078900
CC(C)C1=NOC(=N1)C2=CC=CC=C2C(=O)N3CC4=C(C3)NN=C4	PC-id_154785019,EMOLS-id_317718733,MCULE-5852033105	323.138	XPRKKEAGBQRQOP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078901
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1[nH]ccc1	SCHEMBL11276848,PC-id_20528161	323.142	SLEYDWWDBDSXCU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-078902
c1(C(=O)Nc2c(O)ccc(Br)c2)c2CCCc2on1	PC-id_5075957,EMOLS-id_15971918,ChEMBL-DNDi_CHEMBLC226-3249,ZINC22_426289,MCULE-9566824710	323.142	XPIWPMWSBCWPAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078903
O=Cc1ccc([nH]c1=O)OC1CCc2c1[nH]cc2Br	PC-id_142460146	323.142	HKBJTMJKXHNBHY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078904
Cn1cc(Br)c(C(=O)N2CCn3nccc23)cc1=O	ZINC22_935880299,MCULE-1858406204,EMOLS-id_316337563	323.145	GRAAKKSUFYWPQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078905
O=C(c1cn2c(n1)CCC2)Nc1nccc(c1O)Br	EMOLS-id_316691164	323.145	CAZBWWIINBLFNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078906
O=C(c1cnc2n1CCC2)Nc1nccc(c1O)Br	EMOLS-id_319475663	323.145	JUMQGXYXGKRHPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078907
C1CC2=C(C1)SC(=N2)CN3CCC(CC3)(C#N)C4=CC=CC=C4	MCULE-2966850355,EMOLS-id_330971682,PC-id_155980687,ZINC22_1888904297	323.146	KJJWCNVUIOJVLO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-078908
c12CN(Cc1sc(I)c2C(=O)OC)C	EMOLS-id_331063594,MCULE-2853263486	323.151	UKMWTILIHGBSCE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078909
c1(C(=O)OCC)c2CNCc2sc1I	MCULE-1537833472,EMOLS-id_331065390	323.151	PGVVHOJENQTTLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078910
c1(C(=O)OC)sc2CN(Cc2c1I)C	MCULE-3841723020,EMOLS-id_330872647	323.151	FGMOUBUDPKTDPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078911
CCOC(=O)c1sc2CNCc2c1I	EMOLS-id_329988358	323.151	PHRDXSNOLIWWLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-078912
C1CC2=NN=C(N2C1)CNC(C3=CC=C(C=C3)F)C4=CC=CC=N4	PC-id_154794920	323.155	GHJHQEFSGLXBCV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-078913
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3CN(CCO3)C)C	PC-id_161193748	323.159	UUBKZMABAHBPGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-078914
n12ncnc1sc(=CNc1cccc(Br)c1)c2=O	MCULE-1174102398	323.168	GHYIKGNPFHAMDO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078915
n12ncnc1sc(=CNc1ccc(cc1)Br)c2=O	MCULE-2582626049	323.168	ZIGPJLQUMZHNRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078916
O=c1/c(=C/Nc2ccc(Br)cc2)/sc2ncnn12	ZINC22_256055928,PC-id_117588264	323.168	ZIGPJLQUMZHNRM-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078917
O=c1/c(=C/Nc2cccc(Br)c2)/sc2ncnn12	ZINC22_256055413,PC-id_117588269	323.168	GHYIKGNPFHAMDO-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078918
CN1C(=CN=C1NCC2=CN=C3N2CCC3)C4=CC=C(C=C4)OC	PC-id_154742818,MCULE-5422178293,EMOLS-id_317274620	323.175	ILIXLJZQGPRFEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-078919
c12c(C(=O)NN=Cc3cccc(Cl)c3Cl)n[nH]c1CCC2	MCULE-5009894813,PC-id_2040255	323.177	CVIUXGQOSQYNSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078920
Cc1cnc(c(c1)Br)NCc1sc2c(c1)CCC2	PC-id_105366790	323.251	CJJKINOTPNFCKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079010
c12c(C(=O)NN=Cc3ccc(Cl)c(Cl)c3)n[nH]c1CCC2	MCULE-8808780375,PC-id_2047448	323.177	RJTGATVEWPKIKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078921
c1(C(=O)NN=Cc2ccc(cc2Cl)Cl)c2CCCc2[nH]n1	EMOLS-id_300013453,PC-id_5400008,MCULE-8055934760	323.177	NAJVLNQYSCBKKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078922
c1(C(=O)NN=Cc2c(cccc2Cl)Cl)c2CCCc2[nH]n1	PC-id_5399707,MCULE-9089803800	323.177	SCQJZIXFYSLHFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078923
Cc1c(c2nc(nn2c1=C)C)Nc1cc(c(c(c1)Cl)O)Cl	PC-id_90908651	323.177	ICBKZFXCKQAGPL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078924
Cc1c(c2nnc(n2c1=C)C)Nc1cc(c(c(c1)Cl)O)Cl	PC-id_91348885	323.177	ICPFGXQLWSQMHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078925
Cc1c(n2c(=Nc3cc(c(c(c3)Cl)O)Cl)c(=C)[nH]c2n1)C	PC-id_90767175	323.177	VPYNQUVMKDSZQK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-078926
Cc1c(n2C(=Nc3cc(c(c(c3)Cl)O)Cl)C(=Nc2n1)C)C	PC-id_136089186	323.177	GTBQZSIAPAXRGH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-078927
CC1=C(n2c(nc(n2)C)C1=Nc1cc(c(c(c1)Cl)O)Cl)C	PC-id_136089183	323.177	BTTPCEIOMVLSAP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-078928
CC1=C(n2c(nnc2C1=Nc1cc(c(c(c1)Cl)O)Cl)C)C	PC-id_136089181	323.177	MUULQTCLYRCVSJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-078929
Clc1ccc(c(c1)Cl)/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_1723161,CoCoCo_1723159	323.177	NAJVLNQYSCBKKC-IDUWFGFVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078930
Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1n[nH]c2c1CCC2	CoCoCo_1723158,EMOLS-id_630430,CoCoCo_1723160,STOCK3S-31270,PC-id_6888230,TIMTEC325234	323.177	NAJVLNQYSCBKKC-REZTVBANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078931
Clc1cccc(Cl)c1/C=N/NC(=O)c1n[nH]c2CCCc12	SPECS-id_AT-225/NB43237,SPECS-id_AT-225/NB40875,TIMTEC443611,STOCK3S-36882,PC-id_6869343,EMOLS-id_206994704	323.177	SCQJZIXFYSLHFR-REZTVBANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078932
Clc1cc(/C=N/NC(=O)c2n[nH]c3CCCc23)ccc1Cl	SPECS-id_AT-225/NB41710,PC-id_6891312	323.177	RJTGATVEWPKIKE-REZTVBANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078933
Clc1c(/C=N/NC(=O)c2n[nH]c3CCCc23)cccc1Cl	SPECS-id_AT-225/NB41706,PC-id_6890793	323.177	CVIUXGQOSQYNSI-REZTVBANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078934
Brc1cn(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_317947739	323.188	SMTDWINKECNIRY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-078935
Brc1cn(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320106081,MCULE-8614502170	323.188	ZBUFYYNEGVZJBB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-078936
COc1cc(Br)ccc1NC1CC(n2c1ncn2)C	EMOLS-id_318759877,MCULE-9369517616	323.188	QCOQCSDYSLXDMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078937
COc1cccc(c1Br)NC1CC(n2c1ncn2)C	EMOLS-id_318412769,MCULE-2350146885	323.188	SOAFEWPNISGDMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078938
COc1cc(ccc1Br)NC1CC(n2c1ncn2)C	EMOLS-id_318613897,MCULE-5544940104	323.188	HSRGBBSLTXYMPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078939
COc1cc(cc(c1)Br)NC1CC(n2c1ncn2)C	MCULE-5127142879,EMOLS-id_318463055	323.188	WFCQBVWLAIHLPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078940
COc1ccc(cc1NC1CC(n2c1ncn2)C)Br	EMOLS-id_318482822,MCULE-5327256002	323.188	ZTEPOVVLXZYGPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078941
COc1cc(NCc2cnc3n2CCC3)ncc1Br	EMOLS-id_318170624,MCULE-6790490705	323.188	HXKZSECTLXDXKK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078942
COc1ncc(cc1NCc1cnc2n1CCC2)Br	EMOLS-id_318434812,MCULE-7641207929	323.188	OQIAALIGLQHWQW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-078943
Cc1nc(NCc2nnc3n2CCC3)c(c(n1)C)Br	MCULE-4597222281,EMOLS-id_318744199	323.192	GSZJZDGPHBMTSR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078944
CC(c1nnc2n1CCC2)Nc1ncnc(c1Br)C	EMOLS-id_318628287,MCULE-5890873184	323.192	BHVHJYMSJMKOSN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078945
CN(CC1CCc2n1ncn2)Cc1ncc(cn1)Br	PC-id_146139505	323.192	ZNVPWINDNXKSEH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078946
CN(Cc1ncc(Br)cn1)C[C@@H]1CCc2ncnn12	ZINC22_931862364	323.192	ZNVPWINDNXKSEH-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-078947
CN(Cc1ncc(Br)cn1)C[C@H]1CCc2ncnn12	ZINC22_931862365	323.192	ZNVPWINDNXKSEH-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-078948
CC(N1C(C)c2c(C1(S)I)cn[nH]2)C	PC-id_144729499	323.197	KXFNMLKBTJMETP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-078949
c12C(C)CCc1nn(Cc1c(F)ccc(C)c1Br)c2	MCULE-2186161350,EMOLS-id_331001001	323.203	KNYPUTFCDSTULE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078950
CC1CCc2c1c(Br)nn2Cc1cccc(C)c1F	EMOLS-id_330966778,MCULE-1310783367	323.203	SLCWWXHMAZMHAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078951
CC1CCc2c1c(Br)nn2Cc1cc(C)ccc1F	MCULE-5020834616,EMOLS-id_330966522	323.203	DCQCSSNOBWOLBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078952
CC1CCc2c1c(Br)nn2Cc1ccc(C)cc1F	MCULE-9919472281,EMOLS-id_330968313	323.203	OLUXUDLPOPQNKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078953
CC1CCc2c1c(Br)nn2Cc1ccc(C)c(F)c1	MCULE-1295481835,EMOLS-id_330968057	323.203	BPSQVJRPIUEBSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078954
CC1CCc2c1c(Br)nn2Cc1cccc(F)c1C	EMOLS-id_330969082,MCULE-7201604243	323.203	CKEASPBYCAXZKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078955
CC1CCc2c1c(Br)nn2Cc1ccc(F)cc1C	MCULE-8252766050,EMOLS-id_330968825	323.203	REAIXWMAXNMRCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078956
CC1CCc2c1c(Br)nn2Cc1ccc(F)c(C)c1	EMOLS-id_330968569,MCULE-3651361744	323.203	FDWDOGUUUVBXSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078957
CC1CCc2c1c(Br)nn2Cc1cc(F)ccc1C	MCULE-4773631184,EMOLS-id_330965243	323.203	MMARODYBGQESPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078958
CC1CCc2c1c(CBr)nn2Cc1ccccc1F	MCULE-2972874448,EMOLS-id_331026447	323.203	ZTEBIDFBYJVLHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078959
CC1CCc2c1c(CBr)nn2Cc1cccc(F)c1	EMOLS-id_331029007,MCULE-2424315827	323.203	MCVUUEDDQQCKOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078960
CC1CCc2c1c(CBr)nn2Cc1ccc(F)cc1	EMOLS-id_331027982,MCULE-5880543659	323.203	VTOJPAKPCGHAAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078961
CC1CCc2c1cnn2Cc1c(F)ccc(C)c1Br	EMOLS-id_331015148,MCULE-9619530267	323.203	DTAXCTGOWQPQKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078962
CC1CCc2nn(Cc3ccccc3F)c(CBr)c12	EMOLS-id_331013560,MCULE-9095879039	323.203	VDCJFXSCSOOMJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078963
CC1CCc2nn(Cc3ccc(C)cc3F)c(Br)c12	EMOLS-id_331015846,MCULE-4332395172	323.203	LFEVGXYHCDBFBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078964
CC1CCc2nn(Cc3cc(C)ccc3F)c(Br)c12	EMOLS-id_331018150,MCULE-6442903047	323.203	QBDQRILZKFKLLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078965
CC1CCc2nn(Cc3cccc(C)c3F)c(Br)c12	MCULE-1066013774,EMOLS-id_331014311	323.203	ZUXBADLKAUJAGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078966
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(Br)c12	EMOLS-id_331015590,MCULE-6924499477	323.203	XWHBSCQFOCPWSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078967
CC1CCc2nn(Cc3cccc(F)c3)c(CBr)c12	EMOLS-id_331012025,MCULE-1307727857	323.203	ZBHNWYJKXMWEFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078968
CC1CCc2nn(Cc3cccc(F)c3C)c(Br)c12	MCULE-7141319339,EMOLS-id_331016615	323.203	HSYWIVKGANUMIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078969
CC1CCc2nn(Cc3ccc(F)cc3)c(CBr)c12	EMOLS-id_331011000,MCULE-6411761709	323.203	BVYLPBXDROXHDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078970
CC1CCc2nn(Cc3ccc(F)cc3C)c(Br)c12	EMOLS-id_331016358,MCULE-1508278210	323.203	VFPHZERLPHDSOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078971
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(Br)c12	MCULE-9830573672,EMOLS-id_331016102	323.203	QUPBXGAPWNOUDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078972
CC1CCc2nn(Cc3cc(F)ccc3C)c(Br)c12	MCULE-7432143444,EMOLS-id_331016871	323.203	KMGFWKXQGXNIBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078973
CC(c1ccccc1F)n1nc2CCC(C)c2c1Br	MCULE-4585636114,EMOLS-id_331021219	323.203	XRYZJSOEASCLLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078974
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1Br	MCULE-7296717290,EMOLS-id_331020449	323.203	YECQMUWHLJRYBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078975
Brc1ccc(cc1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_21277094,ZINC22_6321925,MCULE-6200339543,PC-id_4260336,CoCoCo_4163997	323.208	SEGJIYUMQXZMQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078976
Brc1ccccc1C(=O)Nc1nc2CCCc2s1	MCULE-1457484476,ZINC22_6527378,PC-id_5007871,EMOLS-id_21277158,CoCoCo_4163994	323.208	AMJXGIULKQKVSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078977
Brc1cccc(c1)C(=O)Nc1nc2CCCc2s1	MCULE-6032554020,CoCoCo_4164017,ZINC22_6526309,EMOLS-id_18861870,PC-id_4121830	323.208	YXUIQJWZJIASKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078978
Brc1ccc(cn1)NC(=O)c1sc2c(c1)CCC2	PC-id_103789353	323.208	RMSVJOMRLWSLGT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078979
Brc1cccc(n1)NC(=O)c1sc2c(c1)CCC2	PC-id_43520436,EMOLS-id_314077740	323.208	CHODGDXRLRZHHD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078980
Brc1ccc(C(=O)c2n3CCSc3nc2C)cc1	PC-id_641976	323.208	WMHLLRFEPSWYSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078981
Brc1ccc(nc1)NC(=O)c1sc2c(c1)CCC2	PC-id_60655285,EMOLS-id_315332387	323.208	NZXCYEHBEDZYCM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078982
Brc1ccnc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_102674112	323.208	PQXGTMHTGVSXIP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078983
Brc1c(NC(=O)c2sc3CCCc3c2)ccnc1	EMOLS-id_315729954,PC-id_81758132	323.208	OGGPFGYDEBWCAR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078984
Brc1c(NC(=O)c2sc3CCCc3c2)nccc1	PC-id_65549442,EMOLS-id_315176769	323.208	MJZFCVVBUZMFAF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078985
n1(C(=O)c2ccc(Br)cc2)c2CCCc2[nH]c1=S	SPECS-id_AT-225/JK19215,PC-id_4195653,MS2_L148229,MCULE-3992335448,ZINC22_401026,Chemmine_54465	323.208	LDGZDIBERAQKBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078987
O=C(c1sc2c(c1)CCC2)Nc1cccnc1Br	PC-id_103819444	323.208	FYDSOFGTGOVIDJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078988
CC(c1nc2c(n1Cc1ccc(c(c1)Cl)Cl)C(=O)CC2)C	PC-id_58460220,SCHEMBL2513251	323.217	HHXZHHSYKWKILK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078989
Brc1ccc(CC(O)c2sc3c(CCC3)c2)cc1	PC-id_55151205	323.248	KNIYFJNJACVXLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078990
Brc1cc(CC(O)c2sc3c(CCC3)c2)ccc1	PC-id_63017361	323.248	OVOLHLANADGJIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078991
BrC(c1sc2c(CCC2)c1)c1ccc(OC)cc1	PC-id_63437210	323.248	MQRVZLNOXCKTNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078992
OC(c1sc2c(c1)CCC2)Cc1ccccc1Br	PC-id_114977061	323.248	WYOJWDCGAFRLCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-078993
Brc1c(cc([C@@H](N)c2sc3CCCc3n2)cc1)C	PC-id_66480608	323.251	OMJOJRKGLBTEDG-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078994
Brc1cccc(n1)CNCc1sc2c(c1)CCC2	EMOLS-id_315815893,PC-id_112582213	323.251	UHYOBNMSTDDKOM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078995
Brc1c(C)ccnc1NCc1sc2c(c1)CCC2	PC-id_113887836	323.251	QKWANRVPYSJKQL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-078996
Brc1c(cc(C(N)c2sc3CCCc3n2)cc1)C	PC-id_66480607	323.251	OMJOJRKGLBTEDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078997
Brc1ccc(C(NC)c2sc3CCCc3n2)cc1	PC-id_61329983	323.251	JFEWKZWBWGTCPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078998
Brc1ccc(C(N)Cc2sc3CCCc3n2)cc1	PC-id_82066876	323.251	JXIKFNSJBUHCDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-078999
Brc1ccc(nc1)CC(c1sc2c(c1)CCC2)N	PC-id_105036112	323.251	LGOHCECVDSXKMR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079000
Brc1ccc(nc1)CNCc1sc2c(c1)CCC2	PC-id_64125055,EMOLS-id_314581543	323.251	DQEYNLREXSEUGN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079001
Brc1cc(c(NCc2sc3CCCc3c2)nc1)C	PC-id_79718279,EMOLS-id_314311886	323.251	MNQWZOPAACWJQY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079002
Brc1cc(C(NC)c2sc3CCCc3n2)ccc1	PC-id_61330176	323.251	FDLPSWQTBLNUBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079003
Brc1c(C(N)c2sc3CCCc3n2)ccc(c1)C	PC-id_81793144	323.251	GMBDAZUUOBMRQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079004
Brc1c(C(NC)c2sc3CCCc3n2)cccc1	PC-id_61331567	323.251	HWPKWYGABMPGRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079005
Brc1cncc(c1)CC(c1sc2c(c1)CCC2)N	PC-id_105036624	323.251	GSVLDFVMQTZQNO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079006
Brc1cncc(c1)CNCc1sc2c(c1)CCC2	PC-id_104796788	323.251	ZAEBSQGXURPXIC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079007
Brc1sc2c(c1)C(CC2)NCCc1ccccn1	MCULE-2141744800,EMOLS-id_317958164	323.251	XPENGBIHWBHZBE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079008
Cc1cc(NCc2sc3c(c2)CCC3)ncc1Br	PC-id_114869198	323.251	UPAIUXGCBJWWBE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079009
Cc1nc(NCc2sc3c(c2)CCC3)ccc1Br	PC-id_108157189	323.251	DLXQOLACKDHJSL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079011
NC(c1ccc(c(c1)Br)C)c1sc2c(n1)CCC2	PC-id_113712701	323.251	AXBIXIBDFGIUQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079012
COC(=O)C(=C1N(C)[CH]n2c1nc(c2C(=O)OC)C(=O)OC)[O-]	PC-id_102239525	323.258	GNSRPYUEAYGMPA-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-079013
COC(=O)[C-]=C(N1[CH]N(c2c1noc2C(=O)OC)C)C(=O)OC	PC-id_102239523	323.258	MVQMRECKLZOJIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079014
CCc1cc(Cn2nc3CCC(C)c3c2CCl)ccc1Cl	MCULE-1586816559,EMOLS-id_331006649	323.26	AVYAHFHFEJEXPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079015
CCc1cc(Cn2nc(CCl)c3C(C)CCc23)ccc1Cl	MCULE-7084194333,EMOLS-id_331022607	323.26	QJRGWBHQJVHKEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079016
[N-]=[N+]=NCC1OC(=O)N(C1)C(C1Cn2c(O1)ncc2[N+](=O)[O-])C	PC-id_140503033	323.265	ADFDVIAEHARTNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079017
FC(F)(F)c1ccc(C(=O)c2n(c3c(OC(=O)C3)c2C)C)cc1	PC-id_18424168,SCHEMBL7678111	323.267	DHBFHHMVFFQVDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079018
FC(F)(F)c1c(n2c(C(CC2)C(=O)O)c1)C(=O)c1ccccc1	PC-id_11461453	323.267	JLXHFJCUDWMYFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079019
O=C(c1cccc(C(F)(F)F)c1)c1ccc2n1CCC2C(=O)O	PC-id_13487059,CHEMBL9112	323.267	ALTJSFCEWJIFBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079020
O=C(c1ccc(C(F)(F)F)cc1)c1ccc2n1CCC2C(=O)O	CHEMBL9359,PC-id_13487060	323.267	DRTDOBSMUPIVJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079021
c1(CN(C)C(=O)COCC(F)(F)C(F)F)c2CCCc2[nH]n1	MCULE-1535257954,ZINC22_223050584,EMOLS-id_55686553,PC-id_91789242	323.287	QLBWENHXOMDSBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079022
CC1CCc2c1c(nn2Cc1cccc(c1F)C(F)(F)F)C#N	EMOLS-id_331020275,MCULE-3760372024	323.288	XSVRNCLIJAQKIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079023
CC1CCc2c1c(nn2Cc1cc(ccc1F)C(F)(F)F)C#N	EMOLS-id_331021043,MCULE-8315721286	323.288	MFDGMCMBFOZXDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079024
CC1CCc2c1c(nn2Cc1ccc(cc1F)C(F)(F)F)C#N	MCULE-3758610347,EMOLS-id_331020018	323.288	AYBYMEBPXBFOOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079025
CC1CCc2c1c(nn2Cc1ccc(c(F)c1)C(F)(F)F)C#N	EMOLS-id_331020274,MCULE-7461590035	323.288	DVEOCTFYRGNVIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079026
CC1CCc2c1c(nn2Cc1ccc(F)c(c1)C(F)(F)F)C#N	EMOLS-id_331020531,MCULE-7737408861	323.288	IBBLMHBYMCSDEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079027
CC1CCc2c1c(nn2Cc1ccc(F)cc1C(F)(F)F)C#N	MCULE-7358094502,EMOLS-id_331018483	323.288	NJSZGEOMJUCQMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079028
CC1CCc2c1c(nn2Cc1cc(F)ccc1C(F)(F)F)C#N	EMOLS-id_331018739,MCULE-1966052168	323.288	JXQHNTIRHTVQOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079029
CC1CCc2c1c(nn2Cc1cc(F)cc(c1)C(F)(F)F)C#N	EMOLS-id_331020787,MCULE-4010408807	323.288	HXBGWDKLWIWRJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079030
CC1CCc2c1c(nn2Cc1c(F)cccc1C(F)(F)F)C#N	EMOLS-id_331022322,MCULE-7981656702	323.288	YNVUOPQXBCNLER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079031
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(C#N)c12	EMOLS-id_331000764,MCULE-8297681117	323.288	HMHPZHSSXCVOCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079032
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(C#N)c12	EMOLS-id_331001021,MCULE-1080119859	323.288	BSROWNUCQRMWBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079033
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(C#N)c12	MCULE-6052979671,EMOLS-id_331001789	323.288	TXNAULJNNQEILI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079034
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(C#N)c12	MCULE-9596164669,EMOLS-id_331001020	323.288	BSXNHKUGXCWUGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079035
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(C#N)c12	EMOLS-id_330999229,MCULE-4218683599	323.288	HWRMWAMAPYOLSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079036
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(C#N)c12	MCULE-1382304353,EMOLS-id_331001277	323.288	ZQMOWNMUUDYPBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079037
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(C#N)c12	EMOLS-id_331001533,MCULE-5315380127	323.288	QVZZZTMKIXCBQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079038
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(C#N)c12	MCULE-3634688223,EMOLS-id_330999485	323.288	AGDOGYDWQPXABX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079039
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(C#N)c12	EMOLS-id_330998973,MCULE-8039543359	323.288	XGKKHILTHDUBDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079040
O=C(Nc1sc2c(c1C(=O)O)CCC2)COCC(F)(F)F	PC-id_103205821	323.288	BHNDURVFNMWRKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079041
s1c2c(CCC2)c(c1NC(=O)OCC(F)(F)F)C(=O)OC	PC-id_65173239	323.288	VRPGKCJCPWUYHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079042
s1c2CCCc2nc1NC(=O)N(CC(F)(F)F)CC(=O)O	PC-id_79264171	323.291	UGLHJXCUENKUGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079043
s1c2CCCc2nc1NC(=O)NC(C(F)(F)F)(C)C(=O)O	PC-id_79791947	323.291	HYEUBJKOVGYORK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079044
CN(Cc1cccc(OC(F)F)c1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_316792544,MCULE-3074052060,ZINC22_888090961	323.295	KBIDGBKRHWUWEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079045
C[C@@H](NC(=O)c1ccc(OC(F)F)cn1)c1nnc2n1CCC2	ZINC22_355211388	323.298	DAWWVSLWTZYHNW-MRVPVSSYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079046
C[C@H](NC(=O)c1ccc(OC(F)F)cn1)c1nnc2n1CCC2	ZINC22_355211393	323.298	DAWWVSLWTZYHNW-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079047
C[C@@H](NC(=O)c1ccnc(OC(F)F)c1)c1nnc2n1CCC2	ZINC22_448771234	323.298	OOKLNSNPLMTYFT-MRVPVSSYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079048
C[C@H](NC(=O)c1ccnc(OC(F)F)c1)c1nnc2n1CCC2	ZINC22_448771235	323.298	OOKLNSNPLMTYFT-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079049
COc1c(cc(cc1F)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319400998	323.298	BKIBNBPARSGRGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079050
COc1cc(F)c(cc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319572288	323.298	DYNMSFZTAOWOLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079051
COc1cc(F)c(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319323908	323.298	KOIBNXFYSVAEON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079052
COc1c(F)cc(cc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319393130	323.298	XSSWJUYIBNHVBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079053
FC(F)Oc1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_60449215	323.298	WBKHZGIAPOQFBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079054
FC(Oc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319113343	323.298	NMPBCHJVQSTXNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079055
FC(Oc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319408875	323.298	HAXWACXWPSOORJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079056
FC(Oc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319518848	323.298	PJMCGNHJUIXLFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079057
FC(Oc1ccc(nc1)C(=O)NC(c1nnc2n1CCC2)C)F	PC-id_145893762,EMOLS-id_324049682,MCULE-5014441958	323.298	DAWWVSLWTZYHNW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079058
FC(Oc1nccc(c1)C(=O)NC(c1nnc2n1CCC2)C)F	MCULE-9268041020,EMOLS-id_324032801,PC-id_145897138	323.298	OOKLNSNPLMTYFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079059
O=C(NCc1nnc2n1CCC2)Nc1cccc(OC(F)F)c1	EMOLS-id_31973218,ZINC22_47908584,MCULE-5225100687,PC-id_51081801	323.298	ALXMJIGADOUDLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079060
O=C1N(n2c(C1)c(c(c2C)C(=O)OCC)C(=O)OCC)C(=O)N	PC-id_11313305	323.301	DQGSIRSHNDFOBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079061
C[Si](C)(C)C1=Cc2c(S1(=O)=O)cc(s2)Br	PC-id_135070217	323.302	QBEHFFKKUYUGDW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-079062
c12CCCc1n(nc2C(F)(F)F)CC(=O)Nc1ccc(C)cc1	BindingDB-id_134218,CHEMBL1597922,BAS-01939695,PC-id_798547,ZINC22_303787,CoCoCo_225015,EMOLS-id_1359769,BindingDB_PC-id_798547,MCULE-8181313383	323.313	GAPJDZMJFAYXSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079063
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCc2ccccc2)n1	PC-id_798531,BAS-01939654,EMOLS-id_1359703,SCHEMBL1008020,CoCoCo_224980,ZINC22_303764,MCULE-4600559784	323.313	GLKARFYLCXSYLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079064
c1(CNC(=O)c2ccccc2C(F)(F)F)c2CCCc2nn1C	ZINC22_225817225,MCULE-4488798932,PC-id_91819363,EMOLS-id_53884597	323.313	KQWUQUPBSZHIAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079065
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)C(F)(F)F)n1	EMOLS-id_331034885,MCULE-3784510111	323.313	MGNXORPEDYFKRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079066
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(c2)C(F)(F)F)n1	EMOLS-id_331035142,MCULE-7373637973	323.313	ZYYRTZSETLYGNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079067
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2C(F)(F)F)n1	MCULE-7700853867,EMOLS-id_331037189	323.313	WQISXQJOBZNHNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079068
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1C(F)(F)F	EMOLS-id_331015103,MCULE-8985425465	323.313	RGBNLRQYEKQYHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079069
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)C(F)(F)F	MCULE-9422936464,EMOLS-id_331016894	323.313	IEGMZCLKBCSLEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079070
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(c1)C(F)(F)F	MCULE-9476295868,EMOLS-id_331017151	323.313	BGSBAUZRFPEDDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079071
c1(C(=O)NCc2cccc(c2)C(F)(F)F)c2CCCc2n(C)n1	EMOLS-id_320482572,MCULE-6137964993,PC-id_84467421	323.313	BDJDMOPGBLJHHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079072
C[C@H](CC(=O)N1CCn2ccnc12)c1ccccc1C(F)(F)F	ZINC22_585122480	323.313	NUIQIRKLKDZBBI-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079073
C[C@@H](CC(=O)N1CCn2ccnc12)c1ccccc1C(F)(F)F	ZINC22_585122481	323.313	NUIQIRKLKDZBBI-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-079074
CCN(C(=O)c1n[nH]c2c1CCC2)c1cccc(c1)C(F)(F)F	EMOLS-id_318652616	323.313	AHXUWHFKFDSIKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079075
CC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C	PC-id_145296865	323.313	YIZPHOIMPMFSFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079076
Cn1ncc2c1CN(C(=O)c1ccccc1CCC(F)(F)F)C2	ZINC22_623249110	323.313	OGMDYQDVCWTZLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079077
Cn1ncc2c1CN(C(=O)C[C@H](c1ccccc1F)C(F)F)C2	ZINC22_1875283905	323.313	HDMDCRWBHHGZMU-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079078
Cn1ncc2c1CN(C(=O)C[C@@H](c1ccccc1F)C(F)F)C2	ZINC22_1875283906	323.313	HDMDCRWBHHGZMU-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079079
FC(F)(F)c1ccccc1CC(=O)NCc1n[nH]c2CCCc12	ZINC22_218977070,PC-id_91766874,MCULE-1585350473,EMOLS-id_55622152	323.313	CFFKBJKMBHFPQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079080
O=Cc1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CC	PC-id_145296873	323.313	QQNMHUNMTSRKRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079081
O=C(c1cn2c(n1)CCC2)NC(c1ccccc1)CC(F)(F)F	MCULE-2699838502,EMOLS-id_316908448	323.313	LLHMVEIPDVEASC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079082
O=C(c1cnn2c1CCC2)NC(c1ccccc1)CC(F)(F)F	EMOLS-id_316908631,MCULE-2423416812	323.313	PZOXMMVZAFMRGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079083
O=C(Cc1ccccc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318860895	323.313	CJGGIJMQVMLKCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079084
O=C(Cc1cccc(c1)C(F)(F)F)NCc1cnc2n1CCC2	MCULE-8996176468,EMOLS-id_320014759	323.313	WDMVOMZBGVMCRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079085
O=C(Cc1ccc(cc1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318929343	323.313	HVYUZADXJFRZLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079086
O=C(N1CCn2c1ncc2)CC(c1ccccc1C(F)(F)F)C	EMOLS-id_177338254,MCULE-2176994543	323.313	NUIQIRKLKDZBBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079087
O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1cn2c(n1)CCC2	ZINC22_582063910	323.313	LLHMVEIPDVEASC-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079088
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1cn2c(n1)CCC2	ZINC22_582063911	323.313	LLHMVEIPDVEASC-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079089
O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1cnn2c1CCC2	ZINC22_448751785	323.313	PZOXMMVZAFMRGY-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079090
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1cnn2c1CCC2	ZINC22_448751786	323.313	PZOXMMVZAFMRGY-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079091
c1(NC(=O)c2c(cccc2F)F)sc2c(CCC2)c1C(=O)O	MCULE-2183001736,ZINC22_96305904,PC-id_84223684	323.315	YRTCERVUUFLLCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079092
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129590,MCULE-7056348935,PC-id_28860346	323.315	NUDKBYQTDGFMBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079093
FC(c1ccc(s1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_316609596	323.315	IMBSJZVADFFGPR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-079094
s1c2c(CCC2=O)c(Oc2c(F)cc(F)cc2)c1NC(=O)C	PC-id_16639331	323.315	LGKZSNUYTFKGIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079095
n12N=C(C(C)(C)C)C(=NNc3nn(c(n3)C#N)C#N)c1nc(n2)C	PC-id_72243407	323.316	BBANUODEOWNOON-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-079096
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(c2cncnc2)cc1F	ZINC22_2325786844	323.324	JLYREJRMYPFNHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079097
S(=O)(=O)(CC1Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccc(cc1)C	PC-id_11151447	323.324	MRXPNKIXAYQTJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079098
O=C(c1cc2n(n1)CCO2)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112048280	323.328	RXPUHJSSRNFZKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079099
O=C(c1ccccc1O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)N	PC-id_68443297,SCHEMBL2925541	323.328	PKMPBLIODCASNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079100
CCOC(=O)C1CCc2c1nc(s2)CCOCC(F)(F)F	PC-id_103146553	323.331	MITXYCCKRQMTAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079101
CN(CC(C(F)(F)F)O)CC(=O)Nc1sc2c(n1)CCC2	PC-id_109967773	323.335	WGBUUFSPUDYDCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079102
FC(C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_100240555	323.335	CBRFEYRVZUGFOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079103
FC(CC1(C)CN(C1)S(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_101303226	323.335	FXYYBOZIRDSUBM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-079104
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1c2c(nn1C)CCC2	ZINC22_299282145,EMOLS-id_313152596,MCULE-7712531297	323.341	COKVHEYOAPVVQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079105
CC(C)Cn1ncc(NC(=O)c2n[nH]c3c2CCC3)c1C(F)F	EMOLS-id_313146396,ZINC22_677711156,MCULE-1068978747	323.341	FZUTVUOPGJGCRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079106
COC(=O)c1cc2c([nH]1)C(CC2C(C)C)(OC(=O)C)OC(=O)C	SCHEMBL12810551,PC-id_59411377	323.341	IKSWFGBFTOAZNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079107
FC1(F)CCC(c2nnc(NCc3cnc4n3CCC4)o2)CC1	PC-id_146081201,EMOLS-id_316990581,MCULE-2044316126,ZINC22_905425522	323.341	CELFEOJPQPWMAP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-079108
FC(Cn1nc(c(c1C)C(=O)NCc1cnc2n1CCC2)C)F	EMOLS-id_319116887	323.341	ULNOTDKXGZMNTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079109
FC(Cn1nc(c(c1C)C(=O)NCc1n[nH]c2c1CCC2)C)F	EMOLS-id_318825858	323.341	WLGUUCZUDTXHLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079110
O=C(Cc1c(C)nn(c1C)C(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318903647	323.341	DOYBWGYGEIQKDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079111
Cc1ccc(F)cc1S(=O)(=O)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_316897446,ZINC22_1615046161,MCULE-5000519737	323.343	ZTLOEVZDZPDVSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079112
Cc1ccc(F)cc1S(=O)(=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_316921963,MCULE-3172834087,ZINC22_1615626927	323.343	WIHWMMGIIMBNLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079113
C#Cc1cccc(c1)CC1CCc2c1cc(n2C(=O)O)C(=O)OC	PC-id_87186760,SCHEMBL1005262	323.343	OHXRBEMFBPMCQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079114
O=C(N1CCn2c1ccn2)CCc1ccc(cc1)S(=O)(=O)F	EMOLS-id_319482670	323.343	ZBYHBYLNEHFOGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079115
O=C(N1CCn2c1ncc2)CCc1ccc(cc1)S(=O)(=O)F	EMOLS-id_319700470	323.343	PATCKTPOGCSYPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079116
O=C(NC1CCn2c1ncc2)Cc1ccc(cc1)S(=O)(=O)F	EMOLS-id_319508937	323.343	CDSRCNLRRGXQTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079117
COC(=O)C1=C(NC(C)(C)C)n2n(C1C(=O)OC)c(=O)cc2C	PC-id_102210612	323.344	LADVKELJCIYIKW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-079118
COC(=O)c1c(NC(=O)COCC2CCCO2)nc2n1CCC2	MCULE-5563605055,EMOLS-id_177354683	323.344	XPWPQUXBWRWGBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079119
COC(=O)c1c(NC(=O)COC[C@@H]2CCCO2)nc2n1CCC2	ZINC22_585126377	323.344	XPWPQUXBWRWGBP-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-079120
COC(=O)c1c(NC(=O)COC[C@H]2CCCO2)nc2n1CCC2	ZINC22_585126378	323.344	XPWPQUXBWRWGBP-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079121
s1c2c(CCC2)c(c1NC(=O)C(=O)N1CCOCC1)C(=O)[O-]	PC-id_40640405	323.344	BGPYBZJRHOPZNC-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-079122
O=C(c1occ2c1CCC2)NC(c1nocn1)Cc1ccccc1	EMOLS-id_316705476	323.346	UIYINNPLRFBLSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079123
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)CC(=O)OC(C)(C)C	SCHEMBL12307448,PC-id_58441134	323.348	XCAIHCWKDOSCRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079124
COC(=O)c1c(NC(=O)NC(C(=O)N)C(C)C)nc2n1CCC2	MCULE-1323650987,EMOLS-id_316970367	323.348	XHCTWEKJAYINGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079125
COC(=O)c1c(NC(=O)N[C@@H](C(=O)N)C(C)C)nc2n1CCC2	ZINC22_952850457	323.348	XHCTWEKJAYINGL-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079126
COC(=O)c1c(NC(=O)N[C@H](C(=O)N)C(C)C)nc2n1CCC2	ZINC22_952850491	323.348	XHCTWEKJAYINGL-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-079127
O=C1/C(=C/c2cn3c(n2)S(=O)CC3)/[C@H]2N1C(=CS2)C(=O)O	PC-id_67717723,SCHEMBL8889401	323.348	IYEMSFLDXLAWLW-UPRFDFNMSA-N	00001011100000000001001010000000000000000000000000000000	25-01-079128
O=C1/C(=C/c2cn3c(n2)[S@](=O)CC3)/[C@@H]2N1C(=CS2)C(=O)O	PC-id_70013595,SCHEMBL7177865	323.348	IYEMSFLDXLAWLW-FQIZHGJMSA-N	00001011100000000001001010000000000000000000000000000000	25-01-079129
O=C1/C(=C/c2cn3c(n2)S(=O)CC3)/[C@@H]2N1C(=CS2)C(=O)O	SCHEMBL7173550,PC-id_70012229	323.348	IYEMSFLDXLAWLW-HGRSMZGISA-N	00001011100000000001001010000000000000000000000000000000	25-01-079130
S1(=O)c2n(CC1)cc(n2)C=C1C2SC=C(N2C1=O)C(=O)O	PC-id_77340974	323.348	IYEMSFLDXLAWLW-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-079131
c12CN(Cc1cnn2CCO)C(=O)c1cccc(c1)c1[nH]ccn1	MCULE-8992753440,EMOLS-id_36580176,ZINC22_67726015,PC-id_56744876	323.349	POMZGRWYGCQROY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079132
c12CN(Cc1cnn2CCO)C(=O)c1cccc(c1)n1cccn1	ZINC22_67846676,EMOLS-id_36587308,MCULE-8753963593,PC-id_56747779	323.349	XRVBVEGRJROUOF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079133
C1Cc2c(C1)[nH]nc2CNC(=O)c1cc(n[nH]1)c1ccccc1O	MCULE-8415996408,EMOLS-id_36583518,PC-id_136052524	323.349	QMBFJTYLTUWPOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079134
c1(C(=O)NCc2ccc(cc2)c2noc(C)n2)c2CCCc2[nH]n1	MCULE-2374062509,EMOLS-id_49888031,ZINC22_215956920,PC-id_77090976	323.349	FGQAHQSIJNMBGF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079135
c1(C(=O)NCc2onc(Cc3ccccc3)n2)c2CCCc2[nH]n1	ZINC22_215113208,PC-id_77080559,EMOLS-id_49869878,MCULE-8202224919	323.349	USLDSVRACKRAKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079136
c1(C(=O)NCCc2onc(c3ccccc3)n2)c2CCCc2[nH]n1	EMOLS-id_323252927,MCULE-7304031926	323.349	UNMXQKBIZXBIDF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079137
Cc1cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)on1	ZINC22_190070316,EMOLS-id_53797735,PC-id_99829819,MCULE-3029335632	323.349	PWNZVGZZNWSQIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079138
Cc1ncn(c2ccc(NC(=O)c3cc4n(n3)CCO4)cc2)c1C	ZINC22_360932782	323.349	XYQMUGHUQATCEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079139
Cc1nnc(Cc2ccc(C(=O)N=c3cc4n([nH]3)CCC4)cc2)o1	ZINC22_2325781196	323.349	WHDSYPNCCSPKGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079140
Cc1nnc(o1)c1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318854875	323.349	MWLTWJLCUDEODM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079141
Cc1nnc(o1)c1ccccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318864277	323.349	HIYZAEWBFMYRPE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079142
Cc1noc(n1)c1ccccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319592430	323.349	FTLHYFGIIVLOAB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079143
Cc1onc(c2ccccc2)c1C(=O)NCc1nnc2n1CCC2	PC-id_45863438,EMOLS-id_29587200,MCULE-2093523595,CoCoCo_4491084,ZINC22_36398172	323.349	LIRINLIGBVDEFB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079144
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)C#Cc1ccccc1	PC-id_68442831,SCHEMBL2924459	323.349	IRSAAXFTUPAFPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079145
O=C(c1c(C)onc1c1ccccn1)NCc1cnc2n1CCC2	EMOLS-id_319320725	323.349	JNCHLRMOIOBAMC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079146
O=C(c1c(C)onc1c1cccnc1)NCc1n[nH]c2c1CCC2	MCULE-5360802445,EMOLS-id_320250056	323.349	HGZJYSKZLLFDIX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079147
O=C(c1c(C)onc1c1ccncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320332806,MCULE-1778298358	323.349	WAXKIQRCSAPLFS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079148
O=C(c1c[nH]nc1c1ccccc1)N1Cc2cnn(CCO)c2C1	MCULE-1453411031,ZINC22_95389537,PC-id_72933807,EMOLS-id_46648328	323.349	HQLJPVTZGVVNEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079149
O=C(c1n[nH]c2c1CCC2)NC(c1nocn1)Cc1ccccc1	EMOLS-id_319342679	323.349	STSYISVXWYYDBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079150
O=C(Cc1nnc(o1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319085053	323.349	GGCKWWGYDLHFOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079151
O=C(Cc1nnc(o1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320057079,MCULE-8576737988	323.349	OQRNPJJBUOSDPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079152
O=C(N1Cc2n(ncc2C1)CCO)c1c(n2nccc2)cccc1	PC-id_56875231	323.349	YVXDAXCZJKPFAD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079153
O=C(NC1CC(n2c1ncc2)C)Cc1nnc(o1)c1ccccc1	MCULE-9214017806,EMOLS-id_319854456	323.349	LXJBITYOMKUDPO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079154
O=C(NCc1n[nH]c2c1CCC2)C1=C/C(=C/2C(=O)C=CC=C2)/NN1	PC-id_56746237	323.349	PQLNJOVPCKMKFO-ACCUITESSA-N	00000011100011000001100010000000000000000000000000000000	25-01-079155
n12ncnc1sc(=CNc1ccc(cc1)S(=O)(=O)N)c2=O	MCULE-8220589887	323.351	WFBOLNQWCIDPKN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-079156
NS(=O)(=O)c1ccc(N/C=c/2sc3ncnn3c2=O)cc1	ZINC22_256055838,PC-id_117588268	323.351	WFBOLNQWCIDPKN-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-079157
Cc1ccnc(c1)n1nc(cc1NC(=O)N1CCn2c1ncc2)C	MCULE-1099527502,EMOLS-id_320222783	323.352	NPDQKQYPLLCMJC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079158
Cc1c(C(=O)NCc2nnc3n2CCC3)cnn1c1ccccn1	PC-id_53528562,MCULE-1358598160,EMOLS-id_36266827,ZINC22_46329938	323.352	MPVXIFSCSDYIMW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079159
Cc1nnc2CC(CNC(=O)c3cc([nH]n3)c3ccccn3)Cn12	MCULE-4468929481,EMOLS-id_317457548,PC-id_137344628	323.352	ODXMGWZMVXYPQA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079160
Cc1nnc2n1C[C@@H](CNC(=O)c1cc(c3ccccn3)[nH]n1)C2	ZINC22_1772704994	323.352	ODXMGWZMVXYPQA-LLVKDONJSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079161
Cc1nnc2n1C[C@H](CNC(=O)c1cc(c3ccccn3)[nH]n1)C2	ZINC22_1772705001	323.352	ODXMGWZMVXYPQA-NSHDSACASA-N	00000010100000101001100010000000000000000000000000000000	25-01-079162
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCn2nccc12	ZINC22_375603322	323.352	PEVFIPJUQSRWMJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079163
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCn2nccc12	ZINC22_375603323	323.352	PEVFIPJUQSRWMJ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079164
CN(C(=O)c1n[nH]c(c1)c1ccncc1)Cc1nnc2n1CCC2	EMOLS-id_318906699	323.352	RVOWGRIQXCIRHA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079165
COc1cccc(c1)c1cnnc(NCc2nnc3CCCn23)n1	ZINC22_19146852,EMOLS-id_20574231,Chemmine_36697,PC-id_28078658,MCULE-7988245076,CoCoCo_1379700	323.352	OHSPRJDFWMPCNA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079166
n1ncn(Cc2ccc(cc2)C(=O)NCc2c3CCCc3[nH]n2)n1	PC-id_56748838,MCULE-9984937713,ZINC22_67872408,EMOLS-id_36589882	323.352	HJCXBDGNLOKVGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079167
O=C(c1ccc(cc1)n1nnnc1C)NCc1cnc2n1CCC2	EMOLS-id_320103888,MCULE-6200345363	323.352	GYLAMOJNNFWUII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079168
O=C(Cn1nnnc1c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318829997	323.352	AKTTXRALFWJAAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079169
O=C(N1CCn2c1ccn2)C(n1nnnc1C)Cc1ccccc1	MCULE-7540911377,EMOLS-id_316053916	323.352	PEVFIPJUQSRWMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079170
O=C(NCc1nnc2n1CCC2)Nc1cnn(c2ccccc2)c1	ZINC22_72294526,MCULE-9767340522,EMOLS-id_42903026,PC-id_72127778	323.352	XXSUHQCQXSWJRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079171
O=C(NCCc1n2CCCc2nn1)c1ccc(n2ncnc2)cc1	PC-id_53518114	323.352	LXQQYUSKPNRSJC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079172
CC1CCc2c1c(CN)nn2Cc1cccc(c1C)C(F)(F)F	EMOLS-id_331016436,MCULE-3161926114	323.356	FGTOYXDUUYHZDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079173
CC1CCc2c1c(CN)nn2Cc1cc(ccc1C)C(F)(F)F	MCULE-2018712623,EMOLS-id_331015668	323.356	KBEHRRVRJGBVJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079174
CC1CCc2c1c(CN)nn2Cc1ccc(C)c(c1)C(F)(F)F	MCULE-2566980158,EMOLS-id_331015924	323.356	ITQNRFDVUMTYES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079175
CC1CCc2c1c(CN)nn2Cc1cc(C)cc(c1)C(F)(F)F	MCULE-6588609650,EMOLS-id_331016180	323.356	PJKTUPFRIWCFJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079176
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(CN)c12	EMOLS-id_330994111,MCULE-2931598199	323.356	OYZBEMQPNVKTTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079177
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(CN)c12	EMOLS-id_330997438,MCULE-3448632699	323.356	PEVQIRIVHSUKEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079178
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(CN)c12	MCULE-3948667959,EMOLS-id_330997694	323.356	MUTOUPUBIHHGRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079179
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(CN)c12	MCULE-9792214183,EMOLS-id_330993855	323.356	VYHQRPMCIKJCPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079180
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1N	MCULE-9189688240,EMOLS-id_331013292	323.356	CXGPECJYDASGHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079181
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1CN	MCULE-4787820236,EMOLS-id_330997936	323.356	XJYBQXSPLIQAME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079182
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1CN	MCULE-4850578836,EMOLS-id_331001523	323.356	KGGUMQPLYCOWPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079183
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1CN	MCULE-9771329750,EMOLS-id_330999730	323.356	QTJJBPMEUIOJLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079184
CC(c1cccc(c1)C(F)(F)F)(NCc1cnc2n1CCC2)C	MCULE-9768844423,EMOLS-id_318053563	323.356	ZBQMELMZTSQQTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079185
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331013036,MCULE-2750411952	323.356	CNBNFQDRNMNMTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079186
C1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)(CC1)C(=O)O	EMOLS-id_327998375,MCULE-5838569997	323.364	OBWJJPLITJULHL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-079187
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C1CC1)C(=O)OC	PC-id_19202146,MCULE-2204117174	323.364	BLNNTKIAESJPJQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-079188
c1(NC(=O)C=CC(=O)OCC)sc2c(CCC2)c1C(=O)OC	PC-id_2883020,MCULE-5696755501	323.364	HCYHYRQHBKSSOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079189
CCOC(=O)c1c(NC(=O)/C=CC(=O)OC)sc2c1CCC2	CoCoCo_6385229	323.364	CBYAKTNBZKCTNN-FPLPWBNLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079190
CCOC(=O)c1c(NC(=O)/C=C/C(=O)OC)sc2c1CCC2	PC-id_35210445,CoCoCo_6385228	323.364	CBYAKTNBZKCTNN-BQYQJAHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079191
CCOC(=O)C=C1CSc2n1c(C=O)cc2C(=O)OC(C)C	PC-id_139819427	323.364	KOKVMHISQRLOBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079192
CCOC(=O)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_5040848	323.364	HCYHYRQHBKSSOA-FPLPWBNLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079193
CCOC(=O)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCC2	TIMTEC187340,PC-id_5640326,SPECS-id_AT-084/J161791,ZINC22_2696504,EMOLS-id_25897636,CoCoCo_5040847,SPECS-id_AN-153/I123254	323.364	HCYHYRQHBKSSOA-BQYQJAHWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079194
Fc1ccc(c(c1)NC(=NCCc1cn2c(n1)SCC2)N)F	PC-id_121773615	323.364	NNSSSKSVDFYIAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079195
O=C(N1CC(CCC1C(=O)O)C(=O)O)c1sc2c(c1)CCC2	MCULE-1214942116,EMOLS-id_258102180	323.364	UNPIZPKGCAANTC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079196
s1c2c(CCC2)c(c1NC(=O)C1=COCCO1)C(=O)OCC	PC-id_4463198	323.364	QWETZYDCRYQZOQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-079197
s1c2c(CCC2)c(c1NC(=O)C=CC(=O)OC)C(=O)OCC	PC-id_85496178	323.364	CBYAKTNBZKCTNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079198
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CC1)C(=O)OC	PC-id_24363658	323.364	GPNBBDHMAIKHMO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-079199
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/C)C(=O)OC	PC-id_41636452	323.364	DPOHAQXBPJLLIW-HWKANZROSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079200
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CC)C(=O)OC	PC-id_74768630	323.364	DPOHAQXBPJLLIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079201
s1c2N(C(=O)/C(=C/C(=O)OCC)/c2cc1)C(=O)OC(C)(C)C	PC-id_11088594	323.364	WCHFUNRLPZJCAJ-CSKARUKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079202
s1c2N(C(=O)C(=CC(=O)OCC)c2cc1)C(=O)OC(C)(C)C	PC-id_85394464	323.364	WCHFUNRLPZJCAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079203
N#Cc1c(sc2c1CCC2)NS(=O)(=O)c1ncccc1F	PC-id_103299436	323.366	VLOPEQBQFQOLSI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079204
NC(=O)C(C1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_319578272	323.366	NELQOYOXMUUOFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079205
s1c2CCCc2nc1NS(=O)(=O)c1cc(c(F)cc1)C#N	PC-id_63288883	323.366	YILFPHCPTYDIFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079206
s1c2CCCc2nc1NS(=O)(=O)c1c(c(F)ccc1)C#N	PC-id_64125110	323.366	NHLUXTZMKIDSQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079207
c1(NC(=O)C2CC(=O)NN2C)sc2c(CCC2)c1C(=O)OC	MCULE-5876697239,PC-id_2985832,EMOLS-id_300047957	323.367	KJVWLUXSDCUYHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079208
c1(NC(=O)C(=O)N2CCOCC2)sc2c(CCC2)c1C(=O)N	CHEMBL1527199,ChEMBL-DNDi_CHEMBL1527199,CoCoCo_6533816,EMOLS-id_4738050,STOCK6S-08926,ZINC22_6669791,PC-id_8034923,MCULE-9917051227	323.367	OAYIDLSCAFSRSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079209
COc1ccc(cc1OC)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318181654	323.367	DDKGXVLYWBVDDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079210
COc1cccc(c1S(=O)(=O)NCc1cc2n(n1)CCC2)O	EMOLS-id_318939436	323.367	SZNWJHBIVQPVOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079211
COc1cc(C)c(cc1OC)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318071754	323.367	KKYAZWSFFDZSAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079212
COc1cc(OC)cc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316664386	323.367	IQBIRTOACVLBDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079213
COC(=O)c1c(NC(=O)[C@H]2CC(=O)NN2C)sc2c1CCC2	PC-id_2242145,ZINC22_2890027,CoCoCo_580895,CoCoCo_580894	323.367	KJVWLUXSDCUYHZ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079214
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)NN2C)sc2c1CCC2	PC-id_2242146,CoCoCo_580893,CoCoCo_580892,ZINC22_2890028	323.367	KJVWLUXSDCUYHZ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079215
O=C(c1ccco1)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_3617086,CoCoCo_4982154	323.367	AUNCHXIDVPMTLE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079216
O=C(c1cc(oc1C)S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_319417533	323.367	DOEPOCDXYINIMQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079217
O=C(c1oc(c(c1)S(=O)(=O)C)C)NCc1cnc2n1CCC2	EMOLS-id_319155299	323.367	DHPVDBPXFQJPNJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079218
Cc1ccc(/C=c/2sc3nnc(Cc4ccccc4)n3c2=O)o1	ZINC22_13547526	323.369	LNZVFWWAXFTUIJ-UVTDQMKNSA-N	00000000101000110001000010000000000000000000000000000000	25-01-079219
COc1ccc(cc1)c1n[nH]cc1/C=C
/C(=O)Nc2c1ccs2	PC-id_18626991,SCHEMBL6627136	323.369	TWPNHCUSZGEGLE-RIYZIHGNSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079220
COc1ccc(cc1)c1n[nH]cc1/C=C/1C(=O)Nc2c1ccs2	SCHEMBL6627132	323.369	TWPNHCUSZGEGLE-ZSOIEALJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079221
COc1ccc(cc1)c1n[nH]cc1C=C1C(=O)Nc2c1ccs2	SCHEMBL6627138,PC-id_22976037	323.369	TWPNHCUSZGEGLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079222
N#CCOc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4522762212,EMOLS-id_327844329	323.369	OFYKHXLFSGGAHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079223
Cc1noc(n1)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98569440	323.371	NVDAQMNDDORZGP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-079224
CC(C)(C(=O)NS(=O)(=O)c1cnc2n1CCC2)n1cccn1	PC-id_139020446,MCULE-8209558309,ZINC22_1776007387,EMOLS-id_320359789	323.371	VBHZDALRPDWLQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079225
CN1C(CC(=O)Nc2c3CSCc3nn2C)C(=O)N(C)C1=O	MCULE-7531039132,PC-id_134696179,EMOLS-id_316211092	323.371	NZWCEPDVNGPBPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079226
CN1C(=O)[C@@H](CC(=O)Nc2c3c(nn2C)CSC3)N(C)C1=O	ZINC22_1529095204	323.371	NZWCEPDVNGPBPC-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079227
CN1C(=O)[C@H](CC(=O)Nc2c3c(nn2C)CSC3)N(C)C1=O	ZINC22_1529095205	323.371	NZWCEPDVNGPBPC-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-079228
Cn1ncc2c1CN(C2)S(=O)(=O)c1cnn(c1)C1CCOC1	EMOLS-id_318148636	323.371	GHIDBXRUPSTUSF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-079229
COc1ncc(cc1C)S(=O)(=O)NCc1nnc2n1CCC2	MCULE-5502218517,EMOLS-id_320152580	323.371	CZLUMFBZRQJJSU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079230
O=C(C(Cn1cncc1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_318942821	323.371	BCQYHELPHMTYOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079231
O=S(=O)(N1CCn2c1ncc2)c1cnn(c1)C1CCOCC1	EMOLS-id_318149300	323.371	IKZXPMORHIHTKI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-079232
CC1CC(c2nccn12)NS(=O)(=O)c1c(cc(cc1C)F)C	PC-id_136546437,EMOLS-id_101317318,MCULE-7624590137	323.386	QMQYMNYATDFMKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079233
Cc1ccc(c(c1)F)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319633439	323.386	DOCGPJZKAYQVJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079234
Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H]1C[C@H](C)n2ccnc12	ZINC22_333104003	323.386	QMQYMNYATDFMKO-AAEUAGOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079235
Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C)n2ccnc12	ZINC22_333104004	323.386	QMQYMNYATDFMKO-DGCLKSJQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079236
Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)n2ccnc12	ZINC22_333104007	323.386	QMQYMNYATDFMKO-WCQYABFASA-N	00000010100000110001000010000000000000000000000000000000	25-01-079237
Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H]1C[C@@H](C)n2ccnc12	ZINC22_333104010	323.386	QMQYMNYATDFMKO-YPMHNXCESA-N	00000010100000110001000010000000000000000000000000000000	25-01-079238
CCc1cc2n(c1C(=O)c1ccccc1)CC=C2C(=O)OC(C)C	PC-id_70618983,SCHEMBL11601864	323.386	BUKVDZPXEJITFU-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-079239
C=Cc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC(C)C	SCHEMBL10815034,PC-id_20253914	323.386	TWCDGALZROBTKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079240
CCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2C(=O)O	PC-id_20253912,SCHEMBL10815123	323.386	DUBJKVXTEBJBDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079241
CCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	PC-id_20253913,SCHEMBL10817297	323.386	RSXXVRDRROHVLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079242
Cn1nc2c(c1NS(=O)(=O)CCc1cccc(F)c1)CCC2	EMOLS-id_316951028,MCULE-2230371455,ZINC22_903615626	323.386	GADGQBFAWNJLLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079243
Fc1c(C)cc(cc1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318533	323.386	IUTPETHMNFUKFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079244
Fc1cc(C)c(c(c1)C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319828788	323.386	WEBOGRRBOCQCBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079245
c12CN(Cc1nn(CCC)c2C(=O)OC(C)(C)C)C(=O)OCC	MCULE-3979377493,EMOLS-id_324348515	323.387	JTVVZHZKTDFUPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079246
c12CN(Cc1nn(CCC)c2C(=O)OCC)C(=O)OC(C)(C)C	MCULE-5236809108,EMOLS-id_324347488	323.387	PPGREXNHSBQVDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079247
c12CN(Cc1nn(CC(C)C)c2C(=O)OC)C(=O)OC(C)(C)C	MCULE-5620547009,EMOLS-id_324344428	323.387	DGTYFJYYRXIFBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079248
C1Oc2c(O1)sc(c2CC=Cc1ccccc1)S(=O)(=O)N	SCHEMBL6909179,PC-id_88060712	323.387	PUFKUUMBVUGKMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079249
C1Oc2c(O1)sc(c2S(=O)(=O)N)CC=Cc1ccccc1	SCHEMBL6908461,PC-id_88060551	323.387	QSIJKSFEWBCSDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079250
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cc(s2)C(=O)O	PC-id_139917137	323.387	DANDZROAIDWNRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079251
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)csc2C(=O)O	PC-id_18947048,SCHEMBL9185150	323.387	ODCSTEANZCBCTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079252
CCC1CCc2c1nc([nH]2)[C@@H](C(=O)OC)NC(=O)OC(C)(C)C	PC-id_102970651	323.387	ATQDQNLLMCHVDP-ACGXKRRESA-N	00000010100000000001000010000000000000000000000000000000	25-01-079253
CCOC(=O)c1nc2c(n1C(C)C)CN(C2)C(=O)OC(C)(C)C	PC-id_118614261,SCHEMBL17380526	323.387	ZYHVVKLKWDHLCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079254
CCOC(=O)n1cc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)N	SCHEMBL3468603,PC-id_68654602	323.387	ANHQPSURMDCEFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079255
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)C	SCHEMBL16622327,PC-id_117997519	323.387	KLNJIYYCPACRJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079256
COc1ccc(cc1)S(=O)(=O)NC1CC(=O)c2sccc12	EMOLS-id_27478638,PC-id_4526512,MCULE-2406417032	323.387	JMGWKSHCTPJOEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079257
COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)c3sccc23)cc1	ZINC22_1386532,PC-id_1474706	323.387	JMGWKSHCTPJOEN-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079258
COc1ccc(S(=O)(=O)N[C@H]2CC(=O)c3sccc23)cc1	ZINC22_6736607,PC-id_40638286	323.387	JMGWKSHCTPJOEN-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079259
O=C(N1Cc2c(C1)c(nn2C(=O)OC(C)(C)C)C)OC(C)(C)C	PC-id_145369838	323.387	YBPRNYZVYVZZIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079260
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)c1ccccc1	PC-id_43328051,SCHEMBL12470056	323.387	BRNNPTSZGQFWIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079261
O=C(OC(C)(C)C)NC(c1nc2c([nH]1)COC2C)C1COCC1	PC-id_102970338	323.387	RUJMNCYYYYRRIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079262
O=S(=O)(c1scc2c1OCO2)NCC=Cc1ccccc1	SCHEMBL6909176,PC-id_69934351	323.387	BTHQQFOGGKHRKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079263
s1c2c(CCC2)c(c1NC(=O)c1sccc1OC)C(=O)O	PC-id_81118001	323.387	TXPNNZCWIQCQKO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-079264
s1c2c(CCC2)c(c1NC(=O)c1scc(OC)c1)C(=O)O	PC-id_81117809	323.387	GXNXRWZMAASIQA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-079265
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCC(C)C)C(=O)[O-]	PC-id_8073327	323.387	JSKBSOCGWHWYEB-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-079266
s1c2c(c(NS(=O)(=O)C)c1Oc1ccccc1)C(=O)CC2	PC-id_16639323	323.387	CPLBLTSYOPHTSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079267
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCNCC1=O	MCULE-9757089756,EMOLS-id_328339858	323.389	VUCNERPTKSTGCP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079268
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCNC(=O)C1	MCULE-3530227032,EMOLS-id_328340114	323.389	SECLDSFGTCSFLQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079269
N#CCCN(C(=O)c1[nH]c2c(c1)CCC2)c1ccc(cc1)OCC	MCULE-6894091743,EMOLS-id_257902453	323.389	KHIJDPOIUGONJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079270
O=C(c1ccccc1)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-1134865879,EMOLS-id_49101896,PC-id_84586375	323.389	UPRYGTJMWMCWRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079271
O=C(C[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_97597405,ZINC22_96461221	323.389	UPRYGTJMWMCWRU-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079272
O=C(C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_96461220,PC-id_97597404	323.389	UPRYGTJMWMCWRU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079273
c1(NC(=O)c2csnn2)sc2c(CCC2)c1C(=O)OCC	TIMTEC419723,ZINC22_11914411,CoCoCo_6289799,MCULE-9175687104,EMOLS-id_9880865,PC-id_16454108	323.391	RBVMNCQLPIDYGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079274
c1(NC(=O)c2snnc2C)sc2c(CCC2)c1C(=O)OC	ZINC22_11914144,MCULE-8699317441,PC-id_16453751,EMOLS-id_9880219,CoCoCo_6286717	323.391	KYRGOOAAFPNSOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079275
c1(NC(=O)CS(=O)(=O)CCC#N)sc2c(CCC2)c1C#N	PC-id_82531727,MCULE-3972345643	323.391	MVLLNYSZZKQEQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079276
CCOC(=O)c1scc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_116697859	323.391	QUYAEVRHZHEWAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079277
s1c2c(CCC2)c(c1NC(=O)c1nc(sc1)N)C(=O)OC	PC-id_62786726	323.391	CWQNZVHNFYEHOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079278
s1c2c(CCC2)c(c1NC(=O)c1snnc1CC)C(=O)O	PC-id_65206455	323.391	QXFIODZRNZMJSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079279
s1c2c(CCC2)c(c1NC(=S)Nc1nocc1)C(=O)OC	PC-id_17268214	323.391	SRBZGYDMDDDSKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079280
S1C2N(C(C1)C(=O)O)C(=O)C2=CCc1nc2SCCn2c1	PC-id_85054882	323.391	RHPYKIUBQWYHJA-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-079281
S1[C@H]2N([C@H](C1)C(=O)O)C(=O)C2=CCc1nc2SCCn2c1	PC-id_9862000	323.391	RHPYKIUBQWYHJA-MWLCHTKSSA-N	00001010100000000001001010000000000000000000000000000000	25-01-079282
S(=O)(=O)(c1ccccc1)NC(=O)Nc1snc2CCCc12	MCULE-8864843507,PC-id_54774491	323.391	NDPJNDJUQFPCIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079283
CC1=NN(CC1)c1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318543073	323.392	ZLMPLYOFBALNGT-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-079284
CC1=NN(CC1)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319165226	323.392	DVSYAHLPRWNPEP-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-079285
CC=C(C=Cc1ccccc1)N1CCn2c1cc(n2)NC(=O)NC	PC-id_88932095	323.392	BFUJMADYKQPQFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079286
C/C=C(/N1CCn2c1cc(n2)NC(=O)NC)C=C/c1ccccc1	SCHEMBL12532925	323.392	BFUJMADYKQPQFU-WUNGNCMVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079287
CC(n1nc(c2c1CN(C2)C(=O)c1[nH]ccc1)Cn1cccc1)C	PC-id_97413584	323.392	LYDMKGCJIBIDOO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-079288
N#Cc1cccnc1OC1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_318654112,MCULE-7074358677	323.392	GVQSIRYQDNDMOX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-079289
OCCn1ncc2c1CN(Cc1nccn1Cc1ccccc1)C2	ZINC22_244898826,MCULE-7700635435,EMOLS-id_55677753,PC-id_91839241	323.392	ZCEIWZOSMOTHCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079290
O=C(N1CCC=C(C1)c1ccccc1)NCc1nnc2n1CCC2	EMOLS-id_318559891	323.392	XEXJSJQPBRKWIO-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-079291
O=C(N1CCC=C(C1)c1ccncc1)NC1CC(n2c1ncc2)C	EMOLS-id_101422857	323.392	KOQWMAKETIWZON-UHFFFAOYSA-N	00000010100011101001100010000000000000000000000000000000	25-01-079292
O=C(NCc1nnc2n1CCC2)N1CC=C(c2ccccc2)CC1	ZINC22_44895333,PC-id_45803868,MCULE-7302816240,EMOLS-id_31871627	323.392	ZCDOOQWTZPUPOS-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-079293
c1(NC(=O)CSc2n[nH]cn2)sc2c(CCC2)c1C(=O)N	CoCoCo_1008064,MCULE-4682465860,PC-id_2081135,CoCoCo_1008065,EMOLS-id_2004774,ZINC22_6140689,CoCoCo_1008066,ChEMBL-DNDi_CHEMBL7859800	323.394	SPHXCYDSMBDEFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079294
c1(NC(=S)Nn2cnnc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4006486,CoCoCo_6827260,MCULE-7008705884,ZINC22_7061220,PC-id_17376910,TIMTEC207971	323.394	HZYUDKXKNPZVHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079295
CC1CC(c2n1ccn2)NS(=O)(=O)c1cnc2n1ccs2	EMOLS-id_319331547	323.394	SJSUAEPJNCMHON-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-079296
O=S(=O)(c1cnc2n1ccs2)NCc1n[nH]c2c1CCC2	EMOLS-id_319580420	323.394	MJPYBEWGRFJCTR-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-079297
s1c2c(CCC2)c(c1NS(=O)(=O)c1cn(nc1N)C)C#N	PC-id_61104834	323.394	DLAZUYBFSDOWCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079298
s1c2c(CCC2)c(c1NS(=O)(=O)c1n(cnc1N)C)C#N	PC-id_63979855	323.394	FRYRNWSGCUBYOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079299
N#Cc1ccc(nc1)N1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_319683444	323.396	ROJRWYVSDKCIIR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-079300
CCC(c1cc(F)ccc1F)NCCc1cn2c(n1)SCC2	EMOLS-id_318127947	323.404	MQLYYCLJKUPWEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079301
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)OCCC	PC-id_3367565,TIMTEC503297,MCULE-2771960933,EMOLS-id_4006494	323.407	VLDVHJKPWJRHLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079302
CCCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	ZINC22_2103087,CoCoCo_5833254,PC-id_1758297	323.407	VLDVHJKPWJRHLV-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079303
CCCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	ZINC22_2103089,PC-id_1758300,CoCoCo_5833255	323.407	VLDVHJKPWJRHLV-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-079304
CCOC(=O)N1CCC(OC(=O)c2cc3c(s2)CCC3)CC1	ZINC22_84793546,EMOLS-id_44529020,MCULE-1796548683,PC-id_71896453	323.407	VZWRCOSNINHOEI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079305
COc1c(sc2c1CCC2)C(=O)N1CCC(CC1)C(=O)OC	PC-id_91956576	323.407	DPCFBGJJBONVDN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079306
COCC1(CCCN(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O	MCULE-9912337040,PC-id_121889638,EMOLS-id_72491376	323.407	QOHHFQYCWNBEME-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079307
O=C(C1C(C1(C)C)(C)C)Nc1sc2c(c1C(=O)O)C(OC2)C	SCHEMBL2163111,PC-id_67300957	323.407	DVVYIBADIVQQOR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-079308
O=C(c1sc2c(c1)CCC2)NCC(C1CCOCC1)C(=O)O	MCULE-6095341239,EMOLS-id_72590645,PC-id_121940832	323.407	HRTIMLIPZQNIRH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079309
O=C(O)CCN(C(=O)c1cc2c(s1)CCC2)C1CCOCC1	MCULE-9431888257,ZINC22_238077408,PC-id_122146280,EMOLS-id_52146149	323.407	IWYQVZDBCMSOHI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079310
s1c2c(CCC2)c(c1N(CCC(=O)O)CC=C)C(=O)OCC	PC-id_82309798	323.407	WICAFZBBXZQNQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079311
CSc1ccc(c(c1)F)CC(=O)Nc1sc2c(n1)CNC2	PC-id_144742169	323.409	WCZQMDVJSSQDLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079312
c1(NC(=O)CN2CCN(CC2)C)sc2c(CCC2)c1C(=O)O	PC-id_28866162,MCULE-5260617239,EMOLS-id_179130997	323.411	YNESFGHVEIDKND-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079313
c1(NC(=O)C(=O)NCCC(C)C)sc2c(CCC2)c1C(=O)N	PC-id_8070793,CoCoCo_1102241,EMOLS-id_4745726,STOCK6S-14110,ZINC22_6758596,MCULE-4625032054	323.411	KJUUXSIBKGXMBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079314
CCOC(=O)N1CCCC(C1)C(=O)Nc1sc2c(n1)CCC2	MCULE-7563615462,EMOLS-id_25664229,PC-id_42948294	323.411	HVPSPCBZRMGITK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079315
CCOC(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)CCC3)C1	PC-id_38011817,ZINC22_30865612,CoCoCo_4720982	323.411	HVPSPCBZRMGITK-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-079316
CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1	ZINC22_30865606,PC-id_38011811,CoCoCo_4720981	323.411	HVPSPCBZRMGITK-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079317
CC(S(=O)(=O)c1[nH]c2c(n1)CCC2)c1ncc(o1)C(C)(C)C	EMOLS-id_318656047	323.411	LQJOOWBFJDJDPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079318
CCS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109598	323.411	YCNIAKNTNPEGBP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079319
CN(CC(=O)N1CCc2c1cc(s2)C(=O)N1CCOCC1)C	PC-id_97410570	323.411	ZWZMREFJAPTZDW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079320
COC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CCC2	CHEMBL4470878	323.411	UYSBRHRLAYYCDA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079321
O=C(C1CCC(=C(C1)C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112099088	323.411	SGXAJUUIGFLASX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-079322
s1c2CCCc2cc1C(=O)NNC(=O)C(NC(=O)C)C(C)C	PC-id_46520175	323.411	HDDHQJAOSMFCCX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079323
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCOCC1)C)C(=O)N	PC-id_9276001	323.411	DBZKFAPYFBRTOM-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-079324
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCOCC1)C)C(=O)N	PC-id_9276004	323.411	DBZKFAPYFBRTOM-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079325
s1c2c(CCC2)c(c1NC(=O)C(N1CCOCC1)C)C(=O)N	PC-id_46646552	323.411	DBZKFAPYFBRTOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079326
s1c2c(CCC2)c(C(=O)N2CCNCC2)c1NC(=O)COC	PC-id_39162861	323.411	XBBZTZHMZQENIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079327
c1(sc2c(CCC2)n1)NC(=O)[C@H](c1ccccc1)n1cccc1	MCULE-9197671854,EMOLS-id_323230814	323.412	RHXKEBPUHXHTPH-INIZCTEOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-079328
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1sccn1	EMOLS-id_328224116,MCULE-3193907908	323.412	AEJGPVVRRARTFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079329
O=C(c1cnn(c1C)c1ccccc1)NC1Cc2c(C1)ccs2	PC-id_21050767,SCHEMBL2460594	323.412	ZGQDPXPKNKVHNV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079330
s1c2CCCc2nc1NC(=O)c1cc(n2cccc2)c(cc1)C	PC-id_33040991	323.412	ORZFCTBSPRZDKJ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-079331
c1(NC(=O)C2CCCN(CC(=O)N)C2)n(C)nc2CSCc12	EMOLS-id_316247318,MCULE-3570154038	323.414	BBBLDOQRSOIIKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079332
c1(NC(=O)CC2N(CC)CCNC2=O)n(C)nc2CSCc12	MCULE-8137374406,PC-id_134707982,EMOLS-id_316207597	323.414	PSPKYOBNVNIGNG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079333
CC(Cc1[nH]nc(c1)NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_97705274	323.414	WCPBGCBYLSFPTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079334
CCCC(c1n[nH]c(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100477497	323.414	GKKBYXVISNGLRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079335
CCC(n1ncc(c1C)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100318684	323.414	MUSUEPNVDRHGAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079336
CCN1CCNC(=O)[C@H]1CC(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529169000	323.414	PSPKYOBNVNIGNG-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079337
CCN1CCNC(=O)[C@@H]1CC(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529169001	323.414	PSPKYOBNVNIGNG-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-079338
CC(n1nc(c(c1C)S(=O)(=O)N1Cc2c(C1)cnn2C)C)C	EMOLS-id_316420203,MCULE-2632679511	323.414	ZBTJWHIDRUCLJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079339
CCn1nc(c(c1C)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101318542	323.414	LXVKRGHUNMQXRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079340
CCn1nc(c(c1C)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319072019	323.414	VNVOHDBRSYMRQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079341
CCS(=O)(=O)N1Cc2c(C1)n(nc2Cn1cncc1)C(C)C	PC-id_97405374	323.414	FAAZNJVQDNOVFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079342
Cn1nc2c(c1NC(=O)[C@@H]1CCCN(CC(=O)N)C1)CSC2	ZINC22_1506398276	323.414	BBBLDOQRSOIIKY-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079343
Cn1nc2c(c1NC(=O)[C@H]1CCCN(CC(=O)N)C1)CSC2	ZINC22_1506398280	323.414	BBBLDOQRSOIIKY-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-079344
O=C(CN1CCN(C(=O)C1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_100005683	323.414	WHVWAGUWHJAXJO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079345
c1ccc(c2ccnc(NCCc3nc4c(s3)CCC4)n2)nc1	EMOLS-id_49642940,MCULE-8884104139,PC-id_74232053,ZINC22_97272345	323.415	CPFWIRZKWGVTPE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079346
n12CCCc1nnc2[C@@H]([NH2+]Cc1cn(nc1)Cc1ccccc1)C	PC-id_52640847	323.415	YXARRUXJIKMCJX-AWEZNQCLSA-O	00000010100000110001000010000000000000000000000000000000	25-01-079347
n12CCCc1nnc2[C@H]([NH2+]Cc1cn(nc1)Cc1ccccc1)C	PC-id_52640849	323.415	YXARRUXJIKMCJX-CQSZACIVSA-O	00000010100000110001000010000000000000000000000000000000	25-01-079348
n12CCCc1nnc2C([NH2+]Cc1cn(nc1)Cc1ccccc1)C	PC-id_75889727	323.415	YXARRUXJIKMCJX-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-079349
CCOC(=O)c1nn(c2CC(Cc12)NC(C)CO)C(C)(C)CC	MCULE-5290976967,EMOLS-id_295517224	323.43	PEFRFTNOCUBKTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079350
O=C(OC(C)(C)C)NC(c1nc2c([nH]1)COC2C)CC(C)(C)C	PC-id_102970382	323.43	RFOUJGYVNDXCNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079351
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)OCC	PC-id_3555519	323.43	HYBBBRRNOUIKQD-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-079352
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCC1)C(=O)OC	PC-id_8060213	323.43	XQGCZISQWPTJIH-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-079353
S1C(N(C(C1)C(=O)O)C(=O)c1sc2c(CCC2)c1)C1CC1	PC-id_63780528	323.43	HQRWWCOPVPPQRC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-079354
c12CN(Cc1nn(CC1CCCCC1)c2C=O)Cc1ccccc1	MCULE-6504708325,EMOLS-id_324348264	323.432	SDTXAUHDRLDMDU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079355
c1(C(=O)N2CCC(CC2)Cc2ccccc2)c2CCCc2n(C)n1	EMOLS-id_179745232,MCULE-4091628747,PC-id_110389056	323.432	ZLAVTWQINDAQKN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079356
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)C1CCC1	EMOLS-id_331022263,MCULE-9859025202	323.432	ATNOUOIXKUKHQG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-079357
Cc1cccc(c1)C1(CCCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320214824,MCULE-6614656489	323.432	XSSXPOLSLIROCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079358
Cc1ccccc1[C@@H](C(=O)N1Cc2cnn(C)c2C1)C1CCCC1	ZINC22_1875274379	323.432	YXOOOWFWLBDQEZ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-079359
Cc1ccccc1[C@H](C(=O)N1Cc2cnn(C)c2C1)C1CCCC1	ZINC22_1875274380	323.432	YXOOOWFWLBDQEZ-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079360
Cc1cc(C)cc(c1)C1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319007544	323.432	BGKAOULMQFPNCC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-079361
Cc1cc(C)cc(c1)C1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319918174,MCULE-9202012858	323.432	OTJNOCQESQJUFN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-079362
CC1CN(CCN1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2581365687,EMOLS-id_328338843	323.432	YPPBQPHRFQJEHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079363
CC1CNCCN1C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9522957921,EMOLS-id_328338587	323.432	MBPWXIUILIOUEB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079364
CN1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9674992534,EMOLS-id_328336026	323.432	VYTBDXVCAUGCSJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079365
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCNCCC1	MCULE-2903270714,EMOLS-id_328342931	323.432	OWSJMPUYCJWPER-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-079366
O=C(C1(CCCC1)c1ccccc1C)NCc1cnc2n1CCC2	EMOLS-id_319592326	323.432	NLMDPANGTIYKKF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079367
O=C(C1(CCCC1)c1ccccc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_319327230	323.432	FGJRMHMHWOTXKZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079368
O=C(C1CCCC1Cc1ccccc1)Nc1n(C)nc2c1CCC2	EMOLS-id_318485510	323.432	BTWXBIPJSRQOKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079369
O=C(C1CCCC1Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319428342	323.432	SLBVKFACTXIOER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079370
O=C(C1CCC(CC1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318874639	323.432	XYQKSKAHQZTORB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079371
O=C(C1CCC(CC1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319234343	323.432	YNTOSXKNBUNADM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079372
O=C(c1cnc2n1CCC2)NC1(CCCCC1)Cc1ccccc1	EMOLS-id_318536886	323.432	OMEIIZKSIYFXKX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079373
O=C(c1cnn2c1CCC2)NC1(CCCCC1)Cc1ccccc1	EMOLS-id_318724572	323.432	HVUKXAAWCDWDQN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079374
O=C(c1nn2c(c1)CCC2)NC1(CCCCC1)Cc1ccccc1	EMOLS-id_318700362	323.432	NJGZSFJVKJPWCE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079375
O=C([C@@H]1CCCC[C@@H]1c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318984603	323.432	NFIRKOIAFQBYFL-HZPDHXFCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079376
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccccc1	PC-id_92109749	323.432	BHNZIEQKILDRPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079377
c1(NC(=O)c2cccs2)n(C(C)(C)C)nc2CS(=O)Cc12	CHEBI:107955,CHEMBL1398863,MCULE-5188347800,ChEMBL-DNDi_CHEMBL1398863,EMOLS-id_5442975,PC-id_756307	323.434	WYHNDMBHGRSFMC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-079378
Cc1ccc(c(c1N)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_103171367	323.434	GBLWFFCQLUNSLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079379
CCc1cnc(s1)C(Nc1nc2c(s1)CCC2C(=O)O)C	PC-id_104289255	323.434	GWUPQKDFRRHLKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079380
CC(CCC(CNC(=O)NCCc1nnc2n1CCC2)(O)C)C	PC-id_112045985	323.434	WJWHMXRLUVNIII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079381
CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)C[S@](=O)C2	CoCoCo_4985541,ZINC22_212344,PC-id_40514541	323.434	WYHNDMBHGRSFMC-NRFANRHFSA-N	00000010100100000001000010000000000000000000000000000000	25-01-079382
CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)C[S@@](=O)C2	ZINC22_6498241,PC-id_11859865,CoCoCo_4985542	323.434	WYHNDMBHGRSFMC-OAQYLSRUSA-N	00000010100100000001000010000000000000000000000000000000	25-01-079383
CCOC(=O)C1CCc2c1nc(s2)NCc1cnc(s1)C	PC-id_104288250	323.434	AQWLOZIYYOJGML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079384
CCOC(=O)C1CCc2c1nc(s2)N(Cc1cscn1)C	PC-id_104288103	323.434	TXILDGHFBKNNBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079385
CCOC(=O)C1CCc2c1nc(s2)NCc1csc(n1)C	PC-id_104288287	323.434	VBEKDVMEZMPPDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079386
CCOC(=O)C1CCc2c1nc(s2)NC(c1nccs1)C	PC-id_104288902	323.434	KOWXYNUJDBZDCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079387
CCOC(=O)C1CCc2c1nc(s2)NCc1ncc(s1)C	PC-id_105923026	323.434	BPVDKMGIURCSIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079388
CCOC(=O)C1CCc2c1nc(s2)NCc1scc(n1)C	PC-id_104288302	323.434	GYUXQTPQKPUUHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079389
CCOC(=O)C1CCc2c1nc(s2)NCc1scnc1C	PC-id_104288771	323.434	BJNBQPOYPOXIIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079390
CCOC(=O)C1CCc2c1nc(s2)NCCc1cscn1	PC-id_104288744	323.434	XGFGXVRLMRBGSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079391
CCOC(=O)C1CCc2c1nc(s2)NCCc1nccs1	PC-id_104288668	323.434	SAHDVCBZNWZXOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079392
CCOC(=O)c1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_103378437	323.434	PFPJOMYXLSXQAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079393
CNCc1cccc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053311	323.434	LDDMUCSGNSEFKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079394
CNCc1ccccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053384	323.434	YBOJWRPXMJWRBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079395
NCc1cccc(c1)CS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053319	323.434	VSASLPQYMHTANF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079396
NCc1ccc(cc1)CS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053356	323.434	BBOHNSSUTUEJBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079397
NCc1cccc(c1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053357	323.434	UYICCJJJVNKVAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079398
NCc1cc(ccc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053372	323.434	MUFYSFJZAHWWCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079399
NCc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053373	323.434	GFWWQEYHHRPRKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079400
OC(=O)C1CCc2c1nc(s2)NC(c1sc(nc1C)C)C	PC-id_104288324	323.434	GHAFTTSYFKTRFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079401
O=S(=O)(c1cnc2n1CCC2)N1CCCC1c1cccs1	EMOLS-id_100182303	323.434	RWEMHFBLCJLHSQ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-079402
O=S(=O)(c1cnc2n1CCC2)N1CCCC1c1cscc1	EMOLS-id_100175849	323.434	YIOJSXFOIBHYJB-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-079403
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)N	PC-id_51614895	323.434	QMXAXFWCNWSXPL-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-079404
s1c2CCCc2nc1NC(=O)CSCc1c(onc1C)C	PC-id_30796753	323.434	XCGLCKSQIIDZEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079405
s1c2CCCc2nc1NS(=O)(=O)c1ccc(cc1)CNC	PC-id_61511763	323.434	ILGXSJAEMSZTAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079406
s1c2CCCc2nc1NS(=O)(=O)c1c(CC)ccc(N)c1	PC-id_61508326	323.434	ROKGMTKURRFSOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079407
s1c2CCCc2nc1NS(=O)(=O)c1ccc(CCN)cc1	PC-id_61806614	323.434	YPVVKSUUZVZNRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079408
s1c2CCCc2nc1NS(=O)(=O)c1cc(c(c(N)c1)C)C	PC-id_61508079	323.434	HIVNZNMAFJBWPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079409
s1c2CCCc2nc1NS(=O)(=O)c1c(c(cc(N)c1)C)C	PC-id_61508119	323.434	GXMGPVACRWUJLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079410
s1c2CCCc2nc1NS(=O)(=O)c1ccc(C(N)C)cc1	PC-id_61511865	323.434	NENJJGIGHKKAEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079411
s1c2CCCc2nc1NS(=O)(=O)c1cc(C(N)C)ccc1	PC-id_61511864	323.434	BEMZNBPLEHSGFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079412
s1c2CCCc2nc1NS(=O)(=O)c1ccc(NCC)cc1	PC-id_62152035	323.434	XQKDRMAORKBJKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079413
s1c2CCCc2nc1NS(=O)(=O)c1c(c(N)cc(c1)C)C	PC-id_79884682	323.434	IAIIWDXSDBMPGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079414
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)c(CC)cc1	PC-id_61508122	323.434	QKYIERIKSLRYTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079415
s1c2CCCc2nc1NS(=O)(=O)c1c(N)cc(c(c1)C)C	PC-id_61508164	323.434	APKLSJCNXIESJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079416
s1c2CCCc2nc1NS(=O)(=O)c1c(NCC)cccc1	PC-id_62152211	323.434	YWMQHZOCZDSUFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079417
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1cc(ccc1)C	PC-id_7640524	323.434	VVRSMJORENTJJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079418
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1ccc(cc1)C	PC-id_7640525	323.434	WAZMIWDUFMVONE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079419
S(=O)(=O)(Nc1sc2CCCc2n1)c1c(c(ccc1N)C)C	PC-id_61508521	323.434	XWLMIEMYTGUEIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079420
S(=O)(=O)(Nc1sc2CCCc2n1)c1c(cc(N)cc1C)C	PC-id_79568899	323.434	GBOIPILJGIBRLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079421
S(=O)(=O)(Nc1sc2CCCc2n1)c1c(c(N)ccc1C)C	PC-id_61508082	323.434	JIIBBMBGIGGGRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079422
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(cccc1)C	PC-id_7640577	323.434	JMDGUDZXOUZSGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079423
c1(NC(=O)c2csc(CN(C)C)n2)n(C)nc2CSCc12	ZINC22_1529178584,EMOLS-id_316195583,MCULE-1630149755,PC-id_134710219	323.437	OJVSXEPYMQXZMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079424
c1(NC(=O)c2snnc2C)c2CSCc2nn1C(C)(C)C	ZINC22_42379366,EMOLS-id_30763386,PC-id_49671176,GD-id_ZINC42379366,MCULE-5056765663	323.437	LNJJCYMBBQHSFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079425
Cc1nnsc1CNC(=O)Nc1nc2c(s1)CCC2(C)C	MCULE-5836216319,EMOLS-id_102010701,ZINC22_333546664	323.437	OQLGUEHCORZSGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079426
CCCNc1sc(c(n1)N)C(=O)Nc1sc2c(n1)CCC2	PC-id_116664028	323.437	LISJRUHIQOUHOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079427
CCN(c1sc(c(n1)N)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_116664023	323.437	FPHMNHIYEHDAJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079428
CC(Nc1sc(c(n1)N)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_116664026	323.437	AQMKNUYJFZDUAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079429
CCSc1nc(CC(=O)NCc2nnc3CCCn23)cs1	EMOLS-id_32227532,PC-id_50973047,MCULE-2841449327,ZINC22_55325313	323.437	IUHCKKIOKLALJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079430
COCCCN(CCNC(=NC)NCc1nnc2n1CCC2)C	PC-id_111650794	323.437	VPGKJCBJSZIYFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079431
CSCC[C@@H](c1nn[nH]n1)NC(=O)c1sc2c(c1)CCC2	MCULE-4738412314,EMOLS-id_258140404	323.437	TVBPLYAEMMRVIL-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-079432
O=C(NC(c1csnn1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102012724	323.437	CDPWFRWDWJJFQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079433
s1c2CCCc2nc1NC(=O)Cn1c(n[nH]c1=S)CCC	PC-id_33040459	323.437	BGEGMZSGXXBPFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079434
c1(cc2c(CCC2)s1)C(=O)N(C)[C@@H]1CCCC[C@@H](OC)[C@@H]1O	EMOLS-id_44410404,ZINC22_257270630,PC-id_110158809,LAS-33847009,MCULE-6057421959	323.45	MUZOIBLHBHRALA-XJKCOSOUSA-N	00000010100000000100000010000000000000000000000000000000	25-01-079435
c1(NC(=O)CCCCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-1722290802,PC-id_3631714,EMOLS-id_328054696	323.45	VFROJYLJSLRWME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079436
O=C(c1sc2c(c1)CCC2)NCC(C1(O)CCOCC1)(C)C	EMOLS-id_101791526	323.45	HFBXTRVXVHPSJP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079437
s1c2c(CCC2)c(c1NC(=O)C(CCCC)CC)C(=O)OC	PC-id_3517251	323.45	NSOIWNCIINBDFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079438
s1c2c(CCC2)c(c1NC(=O)CCCCCCC)C(=O)OC	PC-id_5093595	323.45	RCMOKVXVVGEOHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079439
c1(NC(=O)C2CCCCC2)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_5442641,MCULE-5628333034,PC-id_756297	323.454	ZXZPOBTXFMAOAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079440
CC1CCC(CC1)N(S(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100186464	323.454	MEQXALQRZINMGB-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-079441
CCC1(CCOCC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005694	323.454	STBGDXORCBSNJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079442
CCC1(CO)CCN(CC1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_109901311	323.454	CYCLZBJSFPCFQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079443
CCC1OCCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008865	323.454	DJKRPBNYIXNJEN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-079444
CCC(C1CCCCN1CC(=O)Nc1sc2c(n1)CCC2)O	PC-id_111434348	323.454	WULUGNAJLLGBOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079445
C=CCC1N(CCCC1(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101061310	323.454	QLNBQWZZGLIEMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079446
CC(C)(C)n1nc2c(c1NC(=O)C1CCCCC1)C[S@@](=O)C2	PC-id_44167730,CoCoCo_4985094,ZINC22_8553346	323.454	ZXZPOBTXFMAOAV-JOCHJYFZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079447
CC(C)(C)n1nc2c(c1NC(=O)C1CCCCC1)C[S@](=O)C2	ZINC22_212325,CoCoCo_4985093,PC-id_44160784	323.454	ZXZPOBTXFMAOAV-QFIPXVFZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079448
Cn1nc(c2c1CCC2)CN(S(=O)(=O)C1CC1)C1CCCC1	PC-id_92110037	323.454	COSZCLBDKVKHRB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-079449
CN(CC1CCCCC1O)CC(=O)Nc1sc2c(n1)CCC2	PC-id_109999134	323.454	QTPFRZOLIQHFIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079450
CO[C@@H]1C[C@H](CC[C@H]1N)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_330383601,MCULE-8019930092,ZINC22_1857715782	323.454	IAPUMMPUVDHUIJ-DMDPSCGWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079451
OCC1CCC(CC1)N(CC(=O)Nc1sc2c(n1)CCC2)C	PC-id_109883035	323.454	YKWBOTONBREXLT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079452
O=C(C(N1CCOCC1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102164182	323.454	ROEAAYLBTDDQRU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079453
OCCN(C1CCCCC1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111434344	323.454	GTVZSTONSZPUCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079454
O=C(COC1CCCCC1C)NCCc1cn2c(n1)SCC2	EMOLS-id_99836350	323.454	MCTSTZUHQBCISQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079455
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC(C1CCCCO1)C	EMOLS-id_102005730	323.454	NHRTUKLKKGXEGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079456
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC(C1CCCOC1)C	EMOLS-id_102005754	323.454	ROQPWPGGFIISBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079457
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(C)CCOCC1	EMOLS-id_102003795	323.454	PITXXXRZGAOCFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079458
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CC(OC1C)C	EMOLS-id_102012706	323.454	DDFWIYUGZCFTKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079459
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC(C1CCOCC1)C	EMOLS-id_102005484	323.454	PNNOIOQFPVWHKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079460
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCOC(C1)C	EMOLS-id_102005673	323.454	QDIVKWKGDUORHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079461
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(O)CCCCC1	EMOLS-id_102001971	323.454	INIDHVUBOJGMSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079462
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCC1CCCCO1	EMOLS-id_102005766	323.454	OFGALNPTPQHTNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079463
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC[C@H]1CCCC[C@@H]1O	EMOLS-id_102010824	323.454	HORYHHYVONSYRS-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-079464
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC[C@@H]1CCCC[C@H]1O	EMOLS-id_102010830	323.454	HORYHHYVONSYRS-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079465
O=C(N(CC1CCCOC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002043	323.454	DDHPOEMGZCJGIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079466
O=S(=O)(c1cnc2n1CCC2)N1CCCC1C1CCCCC1	EMOLS-id_100201206	323.454	HFBUGLVYFOAMLB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-079467
O=S(=O)(c1cnc2n1CCC2)N(C1CC1)CC1CCCCC1	EMOLS-id_100186470	323.454	AUJPKJUDTYIJDS-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-079468
Cc1cc2c(s1)CC[C@H]2NCc1ccc(c2cnn(C)c2)cc1	ZINC22_2325778031	323.455	YGHWPHRFQYCBIB-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079469
Cc1cc2c(s1)CC[C@@H]2NCc1ccc(c2cnn(C)c2)cc1	ZINC22_2325778032	323.455	YGHWPHRFQYCBIB-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079470
CCn1cc(CNC2Cc3cscc3C2)c(c2ccccc2)n1	ZINC22_2325860127	323.455	YHKYUPZYMGSYIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079471
s1c2CCCc2c(c1N=Cc1ccc(N(CC)CC)cc1)C#N	PC-id_23825604	323.455	QSMBEWVYMCPGSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079472
CC(C1CCCCN1C(=O)NCCc1cn2c(n1)SCC2)N	EMOLS-id_101890411	323.457	ROTXKOIKDNJOKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079473
CC(C(=O)NCCc1nc2n(c1)CCS2)N1CCN(CC1)C	EMOLS-id_99881516	323.457	WWIUKXTYCVYAMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079474
C=CCSc1nnc(NC(=O)c2cc3c(s2)CCC3)s1	CoCoCo_3222549,PC-id_17400839,ZINC22_9366714,EMOLS-id_11899522,MCULE-5135390410	323.457	PGVKWQFYEHHWHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079475
CC(N1CCN(CC1)C(=O)NCCc1nc2n(c1)CCS2)C	EMOLS-id_99896598	323.457	IQYPZRAOZRVHQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079476
CCSC1CCC(C1)N(C(=O)NCc1nnc2n1CCC2)C	PC-id_71920951,MCULE-6959012434,EMOLS-id_45666607	323.457	BQOUUPUUAFFSIP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079477
CCSC1CCC(C1)NC(=O)NCCc1nnc2n1CCC2	PC-id_75378378,EMOLS-id_48254595,MCULE-7484699923	323.457	PWVJNPOFZXVIAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079478
CCSC1CCCC(C1)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_44577964,MCULE-3539900239,PC-id_71863001	323.457	AJMYVJYGOBIPSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079479
CCS[C@@H]1CCC[C@H](NC(=O)NCc2nnc3n2CCC3)C1	PC-id_97030039,ZINC22_84811942	323.457	AJMYVJYGOBIPSE-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079480
CCS[C@H]1CCC[C@H](NC(=O)NCc2nnc3n2CCC3)C1	PC-id_97030040,ZINC22_84811945	323.457	AJMYVJYGOBIPSE-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079481
CCS[C@@H]1CCC[C@@H](NC(=O)NCc2nnc3n2CCC3)C1	PC-id_97030041,ZINC22_84811947	323.457	AJMYVJYGOBIPSE-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079482
CCS[C@H]1CCC[C@@H](NC(=O)NCc2nnc3n2CCC3)C1	ZINC22_84811948,PC-id_97030042	323.457	AJMYVJYGOBIPSE-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079483
CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2nnc3n2CCC3)C1	PC-id_97058828,ZINC22_89274929	323.457	BQOUUPUUAFFSIP-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079484
CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2nnc3n2CCC3)C1	PC-id_97058830,ZINC22_89274934	323.457	BQOUUPUUAFFSIP-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079485
CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2nnc3n2CCC3)C1	PC-id_97058831,ZINC22_89274936	323.457	BQOUUPUUAFFSIP-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079486
CCS[C@H]1CC[C@H](N(C)C(=O)NCc2nnc3n2CCC3)C1	ZINC22_89274931,PC-id_97058829	323.457	BQOUUPUUAFFSIP-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079487
CCS[C@@H]1CC[C@@H](NC(=O)NCCc2nnc3n2CCC3)C1	PC-id_97048860,ZINC22_86425779	323.457	PWVJNPOFZXVIAI-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079488
CCS[C@H]1CC[C@@H](NC(=O)NCCc2nnc3n2CCC3)C1	PC-id_97048861,ZINC22_86425780	323.457	PWVJNPOFZXVIAI-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079489
CCS[C@@H]1CC[C@H](NC(=O)NCCc2nnc3n2CCC3)C1	ZINC22_86425777,PC-id_97048858	323.457	PWVJNPOFZXVIAI-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079490
CCS[C@H]1CC[C@H](NC(=O)NCCc2nnc3n2CCC3)C1	ZINC22_86425778,PC-id_97048859	323.457	PWVJNPOFZXVIAI-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079491
CN(C(=O)N1CCC(CC1)NCCc1nc2n(c1)CCS2)C	EMOLS-id_99840398	323.457	GGUCTXGMPIOSGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079492
NCC1CN(CCC1C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_101890390	323.457	ODUJQIBXHMQDSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079493
O=C(NC1CC(n2c1ncc2)C)NCC1(CSCC1)N(C)C	EMOLS-id_101376385	323.457	LRAZOZMBVWXTNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079494
O=C(NC1CCN(C(C1)C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99861152	323.457	ROQNIUGNROHCNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079495
s1c2CCCc2c(c1NC(=O)CSC1=NCCS1)C#N	PC-id_5044304	323.457	OWSCKTRXYIVZJA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-079496
CCOC(=O)c1cc2c(n1COCC[Si](C)(C)C)C(=O)CC2	PC-id_59180143,SCHEMBL1005691	323.459	BLEPUSLFPCQPTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079497
[Si](CCOCn1c2c(CCC2=O)c(c1C(=O)O)CC)(C)(C)C	PC-id_66892422	323.459	JMOFFVQWCGVRTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079498
CCCCC(COC(=O)c1sc2c(c1C#N)CSC2)CC	PC-id_102582503	323.473	UEHSIQQIHNHXPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079499
s1c2c(CCC2)cc1CNCC(O)COCc1sccc1	PC-id_61207416	323.473	HICMUXKTHPLTSA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-079500
COC(c1scc(n1)CN(Cc1sc2c(n1)CCC2)C)C	EMOLS-id_49338339,PC-id_75516009,MCULE-4229690739	323.477	XPFKKVYSBDMXFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079501
CO[C@@H](C)c1nc(CN(C)Cc2nc3c(s2)CCC3)cs1	PC-id_97794861,ZINC22_97033998	323.477	XPFKKVYSBDMXFZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-079502
CO[C@H](C)c1nc(CN(C)Cc2nc3c(s2)CCC3)cs1	ZINC22_97033999,PC-id_97794862	323.477	XPFKKVYSBDMXFZ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079503
s1c2CCCc2cc1CNCc1sc(N(C)C)nc1OC	PC-id_61209141	323.477	BCDBEJUAHKYZKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079504
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(C)C(=S)N	PC-id_63339376	323.477	RKSQGXZESMCNHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079505
s1c2c(CCC2)cc1C(=O)NC1(CCN(CC1)C)C(=S)N	PC-id_61122547	323.477	JSLKWULNLSULIX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079506
s1c2c(CCC2)cc1C(=O)NC1CCN(CC1)CC(=S)N	PC-id_63627330	323.477	DMYXDCRWZOIAAT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079507
s1c2CCCc2nc1NC(=O)C1(CCCCCC1)C(=S)N	PC-id_61837201	323.477	CLXLBLFXYVOEMG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-079508
S1c2n(CC1)cc(n2)CNC(=O)CC[NH+]1CCCCCCC1	PC-id_52382989	323.477	UJFNACTZALAUOT-UHFFFAOYSA-O	00000010100000000101000010000000000000000000000000000000	25-01-079509
CCCCCCCCNc1sc2c(c1C(=O)OCC)CCC2	PC-id_110827000	323.493	XEVKZERXIYKWRF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079510
CC1CCN(CC1)CC(CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908758	323.497	SPEFHUHASVJDQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079511
CC(C)(O)CN1CCC(NCCc2nc3c(s2)CCC3)CC1	MCULE-5061184621,EMOLS-id_316957419,ZINC22_896842874	323.497	ZSQXOTDKSOKGRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079512
OCC1CCCN1CCCCNC(c1sc2c(n1)CCC2)C	PC-id_109908761	323.497	ZDNXNTXDTKPQBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079513
s1c2CCCc2cc1C(=O)NCCSCc1sccc1	PC-id_9472019	323.497	DIYCRXGPDWXWCK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-079514
ClC(c1sc2c(CCC2)c1)c1cc(Cl)sc1Cl	PC-id_63436292	323.689	YDMAOSMUQUFLTN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-079515
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)F)C	PC-id_135635956,MCULE-9972374377,EMOLS-id_17101717,STOCK6S-47893	323.71	KRVOMVBABKGITK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079516
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2	PC-id_135925027,ZINC22_13691647	323.71	KRVOMVBABKGITK-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-079517
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2	ZINC22_13691646,PC-id_135925026	323.71	KRVOMVBABKGITK-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079518
c12CN(Cc1nn(CCF)c2Cl)C(=O)OCc1ccccc1	EMOLS-id_324345186,MCULE-3642243430	323.75	FIGFLBHYMONRKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079519
CC1(C)OCc2c1n[nH]c2C(=O)NCc1ccc(F)c(Cl)c1	ZINC22_1875280555	323.75	WNAIDIYIRWLGJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079520
Clc1c(CC(=O)N2Cc3n(ncc3C2)CCO)c(F)ccc1	PC-id_56758761	323.75	CPXYYTDCPANQKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079521
COc1cc(Cl)c(c(c1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_319013058	323.75	CCPHACDYZSPHKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079522
COc1cc(Cl)c(c(c1)C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_318816398	323.75	MRCCYRVSKKZLIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079523
COc1cc(Cl)c(F)cc1NC(=O)c1c2c(nn1C)CCC2	ZINC22_888625444,MCULE-1893884008,EMOLS-id_316963022	323.75	OHEZUQUYZLIGHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079524
COc1cc(F)c(c(c1)Cl)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319680227	323.75	BNOCCVQHUXLRMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079525
COc1cc(F)c(c(c1)Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319087215	323.75	PSMVRPSPGQRUGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079526
OC(c1ccc(c(c1)F)Cl)CNC(=O)c1n[nH]c2c1CCC2	PC-id_109894207	323.75	YYCPHGNQLFYNBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079527
O=C(c1nn2c(c1)OCC2)NC(c1cccc(c1F)Cl)(C)C	EMOLS-id_318523235	323.75	FNCCUUSOGNNXCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079528
O=C(NCc1cnc2n1CCC2)COc1ccc(cc1Cl)F	EMOLS-id_318925019	323.75	DXLWEQSGZZBEEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079529
O=C(NCc1cnc2n1CCC2)COc1ccc(c(c1)F)Cl	EMOLS-id_318970228	323.75	MQEOWWYTLWGNBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079530
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(c(c1)Cl)F	EMOLS-id_320048572,MCULE-7063579703	323.75	ANUJBEDSRTVPSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079531
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(cc1Cl)F	MCULE-3676294854,EMOLS-id_320189724	323.75	RHAQRKMHXJOUMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079532
ClC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ccc1F	SCHEMBL7017047,PC-id_57519206	323.753	ICLOMCWPZMEWBT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079533
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1N(=O)=O)Cl	PC-id_4121836,MCULE-1090975165,EMOLS-id_334660058	323.755	ZAFQFDNFNIJDSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079534
c1(sc2c(CCC2)n1)NC(=O)c1c(Cl)ccc(c1)N(=O)=O	EMOLS-id_334660570,PC-id_4121833,MCULE-6626359569	323.755	KVZPHXOCCFZVBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079535
Clc1ccc(c(n1)NC(=O)c1sc2c(c1)CCC2)[N+](=O)[O-]	PC-id_104820287	323.755	VXFMFUQLRHPFMP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079536
Clc1ccc(nn1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108083149	323.755	ZPOTZHBLTJUICE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079537
Clc1cc(C(=O)Nc2sc3CCCc3n2)ccc1[N+](=O)[O-]	PC-id_82778499	323.755	DLSIOTCEWFVFHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079538
Clc1cc(C(=O)Nc2sc3CCCc3n2)c([N+](=O)[O-])cc1	PC-id_60674460	323.755	ZLFGRHOVTLBAHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079539
Clc1cncc(n1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108072641	323.755	SVKZPMUGBVVRRO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079540
Clc1c([N+](=O)[O-])c(C(=O)Nc2sc3CCCc3n2)ccc1	PC-id_79831487	323.755	NCUXVDPNJHUERJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079541
Clc1ncc(nc1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107371419	323.755	LWLCRRVHANKTTB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079542
COCc1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324900360	323.755	HUHLCSJYKZJRLI-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-079543
n12nc(nc1sc(=Cc1cc(ccc1O)Cl)c2=O)COC	MCULE-8464720289	323.755	HUHLCSJYKZJRLI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-079544
O=C(c1cccc(c1Cl)[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_115931127	323.755	VOHOUQYIYGBIJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079545
O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1	EMOLS-id_21277208,MCULE-6669903443,PC-id_4667465,CoCoCo_4163992,ZINC22_6526208	323.755	VXLVACFSGGLQNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079546
O=C(Nc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1Cl	EMOLS-id_21277180,CoCoCo_4164054,MCULE-1273829654,ZINC22_6526289,PC-id_4126606	323.755	RTHUGHRCGFKOIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079547
CCCc1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324846817	323.773	RLULKMAWQAHVFM-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-079548
CC(C)c1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324848874	323.773	GAKTXZOEDSZBCQ-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-079549
n12c(=O)c(=Cc3c(cccc3Cl)F)sc1nc(C(C)C)n2	MCULE-3709425400	323.773	GAKTXZOEDSZBCQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-079550
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CCC	MCULE-9357503080	323.773	RLULKMAWQAHVFM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-079551
CCc1nccn1CCCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960003	323.778	YZHPJRCJWGTFSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079552
CCc1cc2n(c1C(=O)c1scc(c1)Cl)CCC2C(=O)O	PC-id_20356132,SCHEMBL11663561	323.795	INWODGBFYQFRJJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-079553
Clc1sc2CCC(Nc3c(OC)ccc(c3)C(=O)O)c2c1	PC-id_81246346	323.795	KNTKHEOOIAVDDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079554
c1(C(=O)NCCc2sc3c(CCC3)n2)c[nH]c(=O)c(Cl)c1	PC-id_91840154,ZINC22_253536639,EMOLS-id_55684133,MCULE-3789611375	323.798	JAHCUEPBQPTVAO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079555
c1(NC(=O)c2cc(Cl)ccc2OC)n(C)nc2CSCc12	EMOLS-id_334564023,MCULE-6152010973	323.798	YUPNJRVTIOBRAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079556
CCNC(c1c(Cl)cnn1CCC)c1sc2c(c1)CCC2	PC-id_105042796	323.884	BHHWNOZIJUOMJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079601
c1(NC(=O)COc2ccc(cc2)Cl)n(C)nc2CSCc12	MCULE-6046389115,STOCK7S-69643,ZINC22_604419387,EMOLS-id_188948119	323.798	HHFWJIVHIYPXDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079557
COC(=O)c1cc(N)cc(c1Nc1sc2c(n1)CCC2)Cl	PC-id_107195143	323.798	VWMNYAYQYICJFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079558
Clc1sc2c(C(NC3CCC(CC3)C(F)(F)F)CC2)c1	PC-id_81252390	323.805	PECBTQZXGDJBNN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079559
Clc1sc2c(C(NC3CC(CCC3)C(F)(F)F)CC2)c1	PC-id_81252392	323.805	ANODNCZKCPHOSE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079560
Clc1sc2c(C(NC3C(CCCC3)C(F)(F)F)CC2)c1	PC-id_81252486	323.805	WCEAEGZITJFQOT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-079561
ClCCS(=O)(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_113985602	323.816	BFXRVBCJXPJQMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079562
ClCS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_55246774	323.816	JNTVTBGILSMADE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079563
Clc1c(C(N)c2sc3c(CCC3)c2)cc(OC)c(OC)c1	PC-id_43464705	323.838	KVYRWVRDZMGUJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079564
Clc1sc2CCC(Nc3cc(c(OCC)cc3)CO)c2c1	PC-id_81246414	323.838	UYUZXWSGVMQHJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079565
Clc1sc2CCC(Nc3c(cc(OC)c(OC)c3)C)c2c1	PC-id_81234533	323.838	RASGAKZARSPRPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079566
Clc1sc2CCC(Nc3ccc(OCCOC)cc3)c2c1	PC-id_81233755	323.838	CHCCYKBUXWPLEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079567
Clc1sc2CCC(Nc3cc(OCC)c(OC)cc3)c2c1	PC-id_81235203	323.838	JNQMOVMKLLWKSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079568
Clc1sc2CCC(Nc3cc(OC)c(OCC)cc3)c2c1	PC-id_81234534	323.838	HSVFONWAYQUMOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079569
Clc1sc2CCC(Nc3cc(OCCOC)ccc3)c2c1	PC-id_81247066	323.838	GZDMPHYATYEIRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079570
Clc1sc2CCC(NCc3cc(OC)c(OC)cc3)c2c1	PC-id_81235218	323.838	YCZXWMSATNONMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079571
Clc1sc2c(C(NCc3c(OC)cc(OC)cc3)CC2)c1	PC-id_81246345	323.838	BMGTZIPESIYBQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079572
COc1ccc(c(c1Cl)OC)C(c1sc2c(c1)CCC2)N	PC-id_116464157	323.838	XUOBGUCFZRKNDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079573
COc1cc(Cl)cc(c1O)CNCc1sc2c(c1)CCC2	PC-id_104646285	323.838	QJZKZKANOSRHQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079574
CCc1c(nn2c1OCC2)C(NSc1ccc(cc1)Cl)C	PC-id_143672833	323.841	MQXGRSDIVLEECD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079575
CCCn1ncc(c(c1=O)Cl)NCc1sc2c(c1)CCC2	PC-id_114434873	323.841	ORBRMFIRDPIPHG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079576
CC(n1ncc(c(c1=O)Cl)NCc1sc2c(c1)CCC2)C	PC-id_114434869	323.841	KHKZQTZFOIWAHN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079577
CCOCc1nc(NCc2sc3c(c2)CCC3)cc(n1)Cl	PC-id_106194035	323.841	QWDMIUCTOIODHD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079578
Clc1sc2CCC(Nc3c(N(C)C)ccnc3OC)c2c1	PC-id_81234357	323.841	VPJFFQHZYLQXMR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079579
Clc1sc2c(C(Nc3cn(nc3)CC3OCCC3)CC2)c1	PC-id_81233999	323.841	SZNLUIMCSNLZPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079580
CN(CCn1ncc(c1C(=O)c1sc2c(c1)CCC2)Cl)C	PC-id_115802717	323.841	VSRJBLLFZPSHRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079581
COc1ncc(cc1Cl)CNC(c1sc2c(n1)CCC2)C	MCULE-3397547223	323.841	AAHATVZCFUSGSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079582
CCCNC(c1ccc(cc1F)Cl)c1sc2c(c1)CCC2	PC-id_105022531	323.856	NANPLNIYQYCOFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079583
CCCNC(c1cc(F)ccc1Cl)c1sc2c(c1)CCC2	PC-id_105397084	323.856	ZAPXKEUIWMWCSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079584
CCNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Cl)F	PC-id_103042931	323.856	CNOWCBJXNWEAJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079585
CCNC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)F	PC-id_105032662	323.856	JRRGQPMXDUNTRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079586
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)F	PC-id_115840692	323.856	IDGPIHDKLYJPIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079587
CCNC(c1sc2c(c1)CCC2)Cc1cccc(c1F)Cl	PC-id_102866794	323.856	UNGIHLFGBWYTSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079588
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1F)Cl	PC-id_105055560	323.856	YKEDWGRXKCSHQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079589
CCNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)Cl	PC-id_107892052	323.856	SGAPKJHVAFHFNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079590
CCNC(c1sc2c(c1)CCC2)Cc1cc(Cl)ccc1F	PC-id_103052695	323.856	NBEIITPUHIFAPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079591
CCNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1Cl	PC-id_102622815	323.856	SVOUEOCYPWUQOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079592
Clc1c(CC(NCC)c2sc3c(CCC3)c2)c(F)ccc1	PC-id_63527379	323.856	MTUWHFMEPZDBHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079593
Clc1c(C(NCC)c2sc3c(CCC3)c2)cc(c(F)c1)C	PC-id_81048897	323.856	VVPWZOJVAVLEQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079594
Clc1sc2c(C(NC(C(C)C)c3ccc(F)cc3)CC2)c1	PC-id_81233740	323.856	KKWGEXSTSTXMOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079595
c1(C(=O)NCCc2ccc(cc2)Cl)cc2c(CSC2)s1	EMOLS-id_16389359,MCULE-7852490211,CoCoCo_2684316,PC-id_4252298	323.861	GMPBVOVZRCAKGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079596
ClCCCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109746	323.861	NVPBYVWTSRUHBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079597
CCCNC(c1c(Cl)cnn1CC)c1sc2c(c1)CCC2	PC-id_105040580	323.884	JEIOQVKGWBZJPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079598
CCn1nc(c(c1CC(c1sc2c(c1)CCC2)N)Cl)CC	PC-id_105001334	323.884	VGABMADJJATJLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079599
CCNC(c1c(Cl)cnn1C(C)C)c1sc2c(c1)CCC2	PC-id_105041940	323.884	VAPVZWIVQDSVHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079600
CCNC(c1sc2c(c1)CCC2)Cc1c(C)nn(c1Cl)C	PC-id_105035168	323.884	LNUFASMWVREPTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079602
CCNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Cl)C	PC-id_104996854	323.884	JAUCPALOXCDFLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079603
Clc1c(n(nc1CC)CC)CNCc1sc2c(CCC2)c1	PC-id_65885327	323.884	ZXVKBKBKNPUAMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079604
Clc1nc([nH]c1CNCc1sc2c(CCC2)c1)CCCC	PC-id_65540985	323.884	GYMGUPLNWCIPRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079605
Clc1sc2c(C(NC(C(C)(C)C)Cn3ccnc3)CC2)c1	PC-id_81234121	323.884	ZJSHVSNQFVZKKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079606
CNC(c1sc2c(c1)CCC2)Cc1n(CC)nc(c1Cl)C	PC-id_104998630	323.884	OQQIOZNHPNHWBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079607
CNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Cl)CC	PC-id_104998329	323.884	LPSDAONRMXFGST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079608
Clc1sc2c(C(NC(c3ccc(SC)cc3)C)CC2)c1	PC-id_81252581	323.904	BIPWQDAEUHHBBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079609
CCC1=COC(=N1)NC(=O)C2=C(N=C3N2CCC3)Br	PC-id_154763237,MCULE-2270798889,EMOLS-id_317261045	324.022	PSBSHXUUGSPGLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079610
BrCC(=O)c1sc(c2c1CCC2)Br	PC-id_144904553	324.032	XHGKBQUXKGSVAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079611
CC1=NC=C(C(=N1)NC2=NNC3=C2CN(C3(C)C)C(=O)Cl)F	PC-id_154989504	324.09	QGLOWBMVWUIJGP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079612
CC1(C2=C(C(=N1)C=O)C(=NN2)NC3=NC=CC(=N3)C(F)(F)F)C	PC-id_149910644	324.095	FUXDVAVIKXIBGG-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-079613
CCOC(=O)CC(=O)CC1=C(C2=C(S1)CCC2)C(=O)OCC	PC-id_160226285	324.103	SUOPZDKKKKWYBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079614
CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)N2CCN3C2=NC=C3	PC-id_154779267	324.12	ZHQZUYDRRQAGDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079615
c1cc(c(cc1Cl)Cl)C(=O)Cc1c(n2C(=N)N=Nc2n1)O	PC-id_135441683	324.122	SJJCRHCLIZWDHV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-079616
Nc1nnc2n1C(=O)C(=N2)CC(=O)c1ccc(Cl)cc1Cl	PC-id_343333,ZINC22_16942786,SPECS-id_AT-225/JK08864,LI_194218,CoCoCo_5636594,NSC382747	324.122	ARGDBUZRXDVIFN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-079617
Brc1cc(oc1)C(=O)c1n2CCC(c2cc1)C(=O)O	SCHEMBL11068642,PC-id_20356138	324.127	WCTZGDFLROJJNS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-079618
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccoc1	SCHEMBL11272575,PC-id_20528164	324.127	QAABBZHFEJEWOO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-079619
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1occc1	SCHEMBL11265671,PC-id_20528151	324.127	HTEQDZZUIVMVRL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-079620
Brc1oc(C(=O)c2n3CCC(c3cc2)C(=O)O)cc1	PC-id_20356177,SCHEMBL11659719	324.127	ZFMNYQOHSPTVFD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-079621
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CCN1CCN(CC1)C(=O)[O-]	PC-id_164089048	324.131	XELJRUYFPVCZKC-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-079622
c1(C(=O)OCC)c2COCc2sc1I	EMOLS-id_331064097,MCULE-1188006842	324.135	MFHDGPFLPIFGOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079623
c12CN(Cc1nn(CC1CC1)c2Br)CC(F)(F)F	EMOLS-id_324341611,MCULE-9447553047	324.14	PCWNQODACXQPEH-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-079624
C1CC2=NN=C(N2C1)CCNC(=O)C3=CC(=CC=C3)N4C=NN=N4	MCULE-6974611223,PC-id_154774529,EMOLS-id_257830592	324.145	SRJAGJMQZBLZEG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079625
Brc1ccc(c(c1)F)NC(=O)c1cnn2c1CCC2	EMOLS-id_319601551	324.148	VBPHUKVJQALJKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079626
COS(=O)(=O)c1cc(c2n1CCC2C(=O)O)Br	PC-id_88710907,SCHEMBL11033259	324.148	GPVATUKKOQCVLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079627
Fc1ccc(c(c1C(=O)N1CCn2c1ccn2)C)Br	EMOLS-id_318985490	324.148	CTSYZFGFGSDLDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079628
O=C(c1nn2c(c1Br)CCC2)Nc1ccccc1F	EMOLS-id_319551596	324.148	KBMUOLPFDCUYQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079629
CC1=C2CC(C(=O)C2=NN1COCC[Si](C)(C)C)C(=O)OC	EMOLS-id_336464379,PC-id_150757702	324.151	JXESEWVJCJPAFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079630
CCCCOC1=CC=C(C=C1)C(=O)NC2=C(N3CCCC3=N2)C#N	PC-id_154787241,MCULE-3235961787,EMOLS-id_317774284	324.159	RGUZQVYOOSTWPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079631
Clc1c2n(CCC2C(=O)O)c(c1Cl)C(=O)c1ccccc1	PC-id_15580633,SCHEMBL11001419	324.159	SFJQDILHAVRKJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079632
Clc1c(C(=O)c2n(c3C(C(=O)Oc3c2)C)C)ccc(Cl)c1	SCHEMBL7677941,PC-id_54468363	324.159	XGOHQKHUVFRSLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079633
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1cc(Cl)ccc1	SCHEMBL11269124,PC-id_20528166	324.159	CNSQZABHMHPCBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079634
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1c(Cl)cccc1	SCHEMBL11277328,PC-id_20528103	324.159	SJDYLOZCDMMFRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079635
O=C(c1ccc(Cl)cc1)c1c(Cl)cc2n1CCC2C(=O)O	CHEMBL351408,SCHEMBL11064148,PC-id_12915916	324.159	SBIVNFOVUATYAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079636
O=C(c1ccc(Cl)cc1Cl)c1ccc2n1CCC2C(=O)O	SCHEMBL11277584,CHEMBL9115,PC-id_13487066	324.159	JJUYMVKNOLIODI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079637
CC(C)c1nn2c(n1)C(=Nc1cc(c(c(c1)Cl)O)Cl)C=N2	PC-id_136089180	324.165	IYBFCQSNGPGXFE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-079638
Brc1oc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_317917842	324.173	RUDYWAWZDZHAJF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079639
Brc1oc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319878882,MCULE-7467396243	324.173	DEGLMLNQULBHFI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079640
Cc1cc(Br)oc1C(=O)Nc1c2c(nn1C)CCC2	ZINC22_48341373,PC-id_47074153,EMOLS-id_32092620,MCULE-5988630491	324.173	RCYPEFHZIZYRTL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079641
CN(Cc1ccc(Br)o1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_317971663,ZINC22_119911310	324.173	ZMSLOPOYFYKDLK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079642
COc1cccc(c1OCc1nnc2n1CCC2)Br	EMOLS-id_320019311,MCULE-8271784368	324.173	RTPDWEUOMQGAQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079643
O=C(c1c(Br)nc2n1CCC2)NCc1occc1C	EMOLS-id_318661806	324.173	UMPUJRVOIYUMLZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079644
O=C(c1cc(c(o1)Br)C)NCc1cnc2n1CCC2	EMOLS-id_318420299	324.173	ZNDIMJSLAYUJSX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079645
O=C(c1cc(c(o1)Br)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318870105	324.173	WHSWAQRRFMPMGG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079646
O=C(NCCc1ccco1)c1c(Br)nc2n1CCC2	MCULE-3072969496,ZINC22_585086714,EMOLS-id_177279535	324.173	YOLWGUNBIFIBQD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-079647
Brc1cc([nH]c1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_53516433,EMOLS-id_35706336,MCULE-5513354821	324.176	HAWBMEHXALNXQB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-079648
Brc1c[nH]c(c1)C(=O)N[C@H](c1nnc2n1CCC2)C	PC-id_93318210	324.176	HAWBMEHXALNXQB-ZETCQYMHSA-N	00000010110000000001000010000000000000000000000000000000	25-01-079649
Brc1c[nH]c(c1)C(=O)N[C@@H](c1nnc2n1CCC2)C	PC-id_93318211	324.176	HAWBMEHXALNXQB-SSDOTTSWSA-N	00000010110000000001000010000000000000000000000000000000	25-01-079650
Cn1cc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)Br	MCULE-2970833052,EMOLS-id_319996309	324.176	UDFUJDMTEYWHMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079651
Cn1nc2c(c1NC(=O)Cn1cc(Br)cn1)CCC2	EMOLS-id_313152852,ZINC22_299300524,MCULE-5098684825	324.176	QJQYCVYUPHISAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079652
CN(Cc1nnc2n1CCC2)C(=O)c1cc(Br)c[nH]1	EMOLS-id_35706564,MCULE-7285445939,PC-id_53500728,ZINC22_37502966	324.176	KXJHKQFNOBTYOK-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-079653
O=C(c1c(Br)cnn1C)NCc1cnc2n1CCC2	EMOLS-id_317972656	324.176	RGJSYLDNEPMBRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079654
O=C(c1c(Br)nc2n1CCC2)Nc1[nH]nc(c1C)C	MCULE-3905596232,EMOLS-id_258043525	324.176	WMLXMGABTNJQNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079655
O=C(c1nn2c(c1Br)CCC2)NCc1[nH]ncc1C	EMOLS-id_320126421,MCULE-8761261823	324.176	QIJQTSKKIGHFAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079656
O=C(Cn1ncc(c1)Br)NCc1n[nH]c2c1CCC2	EMOLS-id_318804549	324.176	YODBMNSMFQNXSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079657
O=C(NCCc1cc[nH]n1)c1c(Br)nc2n1CCC2	ZINC22_1548791438,EMOLS-id_319512162	324.176	XSBCPKDPMIZVNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079658
CCN(CC)c1cc(c(cc1)N=C1C(=C(n2c1nnc2C)C)[O-])C	PC-id_163587640	324.183	GMVCTKOKHCZGGB-UHFFFAOYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-079659
ClC(=CCS(=O)(=O)NC(=O)c1cnn2c1CCC2)Cl	EMOLS-id_278229995	324.184	JPQLRTSNMQDMBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079660
O=C(C1CC1(Cl)Cl)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057275	324.184	SBDGLLCZNDDQPS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-079661
Brc1ccc(c(c1)CCNC1CCn2c1ncc2)F	MCULE-7815448227,EMOLS-id_318361653	324.191	QEAMUCZBUDHHBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079662
Brc1ccc(c(c1)CNC1CC(n2c1ncc2)C)F	EMOLS-id_317949802,MCULE-6281368611	324.191	GDLYYOLUJOYBQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079663
Brc1ccc(c(c1)CNCc1cnc2n1CCC2)F	EMOLS-id_318302751,MCULE-3681054231	324.191	FOMAURBXBYLTPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079664
Brc1ccc(c(c1)F)CCNC1CCn2c1ncc2	MCULE-1409545695,EMOLS-id_318576079	324.191	QZVYKRFYZUTPEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079665
Brc1ccc(c(c1)F)[C@@H](NC1CCn2c1ncc2)C	EMOLS-id_318102678	324.191	BSDGELUQFYPWOX-LLTODGECSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079666
Brc1ccc(c(c1)F)[C@H](NC1CCn2c1ncc2)C	EMOLS-id_318373176,MCULE-8761979844	324.191	BSDGELUQFYPWOX-CGCSKFHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079667
Brc1ccc(cc1F)CNC1CC(n2c1ncc2)C	EMOLS-id_318320703,MCULE-9043862335	324.191	RTRAFXFSAKVYCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079668
Brc1ccc(c(c1)F)CNC1CC(n2c1ncc2)C	MCULE-4458888247,EMOLS-id_317995026	324.191	CFBVQIBYNKKSQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079669
Brc1cccc(c1F)CNC1CC(n2c1ncc2)C	MCULE-4688349907,EMOLS-id_318197942	324.191	AKNRFQKVEZHRQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079670
Brc1ccc(c(c1)F)CNCc1cnc2n1CCC2	MCULE-5121375759,EMOLS-id_318400372	324.191	BTBADGXVAPNMSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079671
Brc1ccc(cc1F)CNCc1cnc2n1CCC2	MCULE-7248923306,EMOLS-id_318386945	324.191	AQARRAQZMRGQQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079672
Brc1ccc(c(c1F)C)NCc1cnc2n1CCC2	MCULE-7567037790,EMOLS-id_317970585	324.191	YEGRXQMLQCLJHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079673
Cc1cc(Br)c(cc1NCc1cnc2n1CCC2)F	EMOLS-id_317938523,MCULE-8830953818	324.191	CBTYTAOMQLVZFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079674
CC1CCc2c1c(N)nn2Cc1cc(Br)ccc1F	MCULE-2440817163,EMOLS-id_330964983	324.191	VUHVZTZPCOGMLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079675
CC1CCc2c1c(N)nn2Cc1ccc(Br)cc1F	MCULE-5007397921,EMOLS-id_330963447	324.191	LTQJHOCXMPDGFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079676
CC1CCc2c1c(N)nn2Cc1ccc(Br)c(F)c1	EMOLS-id_330963703,MCULE-2159422221	324.191	WBWLWGJOPXDFHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079677
CC1CCc2c1c(N)nn2Cc1cccc(Br)c1F	MCULE-1117240161,EMOLS-id_330961144	324.191	JLDVKQNPJNGGEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079678
CC1CCc2c1c(N)nn2Cc1cccc(F)c1Br	MCULE-6159379238,EMOLS-id_330963192	324.191	FCSXXPYNWYHUDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079679
CC1CCc2c1c(N)nn2Cc1ccc(F)c(Br)c1	EMOLS-id_330964727,MCULE-9436571949	324.191	OTXCTPOJXWYTOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079680
CC1CCc2c1c(N)nn2Cc1ccc(F)cc1Br	MCULE-3245321797,EMOLS-id_330962680	324.191	OYMYBAFLJZAHMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079681
CC1CCc2c1c(N)nn2Cc1cc(F)cc(Br)c1	EMOLS-id_330961400,MCULE-9500765460	324.191	NMVUHYXBHAVJMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079682
CC1CCc2c1c(N)nn2Cc1c(F)cccc1Br	EMOLS-id_330962936,MCULE-8486768675	324.191	GQNLSXCNXPKMAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079683
CC1CC(c2n1ccn2)NCc1c(F)cccc1Br	EMOLS-id_318280196,MCULE-1091814895	324.191	BLUGUONWYWLALY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079684
CC1CCc2nn(Cc3cc(Br)ccc3F)c(N)c12	MCULE-4889657706,EMOLS-id_331014052	324.191	RUAHKMBUQDWEEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079685
CC1CCc2nn(Cc3ccc(Br)cc3F)c(N)c12	MCULE-2858570235,EMOLS-id_331012516	324.191	PULJVAHTRHGXAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079686
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(N)c12	MCULE-7037769903,EMOLS-id_331012772	324.191	WYVNUJFKCGOJLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079687
CC1CCc2nn(Cc3cccc(Br)c3F)c(N)c12	EMOLS-id_331010213,MCULE-5907135740	324.191	ITQGQVLIOFJJMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079688
CC1CCc2nn(Cc3cccc(F)c3Br)c(N)c12	MCULE-4943331108,EMOLS-id_331012261	324.191	KWOCMEYSDQWHQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079689
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(N)c12	MCULE-9501794972,EMOLS-id_331013796	324.191	RIIYEDPSTFBLBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079690
CC1CCc2nn(Cc3ccc(F)cc3Br)c(N)c12	MCULE-8148786976,EMOLS-id_331011749	324.191	DGPNCFRPZIIPPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079691
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(N)c12	EMOLS-id_331010469,MCULE-2418251288	324.191	AWGWCSROJSHIIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079692
CC1CCc2nn(Cc3c(F)cccc3Br)c(N)c12	EMOLS-id_331012005,MCULE-4176227176	324.191	YCEUKTXDYODGRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079693
Cc1cc(F)c(cc1NCc1cnc2n1CCC2)Br	EMOLS-id_318178534,MCULE-1877737780	324.191	CFLJJIPWFSPOKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079694
Cc1cc(NCc2cnc3n2CCC3)cc(c1Br)F	MCULE-2895101399,EMOLS-id_318390274	324.191	KGDDOMNKBQUOIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079695
CC(c1cc2n(n1)CCC2)Nc1ccc(c(c1)Br)F	EMOLS-id_318368586,MCULE-7957382279	324.191	RUZMLGKFZCZVPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079696
C[C@@H](c1ccc(c(c1)Br)F)NC1CCn2c1ncc2	EMOLS-id_318084607	324.191	GHBYEILXCZPDOF-LLTODGECSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079697
C[C@H](c1ccc(c(c1)Br)F)NC1CCn2c1ncc2	MCULE-7816861288,EMOLS-id_318287881	324.191	GHBYEILXCZPDOF-CGCSKFHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079698
Fc1ccc(cc1Br)CCNC1CCn2c1ncc2	EMOLS-id_318159954,MCULE-1619500423	324.191	NTRCDDODXWADIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079699
Fc1ccc(cc1Br)CNC1CC(n2c1ncc2)C	EMOLS-id_318283011,MCULE-6456039838	324.191	CTXGYPPWJJZZRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079700
Fc1ccc(c(c1)Br)CNC1CC(n2c1ncc2)C	MCULE-2104120418,EMOLS-id_318225814	324.191	BPAPRWZLGHNOON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079701
Fc1cccc(c1Br)CNC1CC(n2c1ncc2)C	MCULE-6255091077,EMOLS-id_318645795	324.191	DCKBUECGZNJZHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079702
Fc1ccc(c(c1)Br)CNCc1cnc2n1CCC2	EMOLS-id_318603009,MCULE-5149907501	324.191	LIZIKMGBLJPHPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079703
Fc1ccc(cc1Br)CNCc1cnc2n1CCC2	EMOLS-id_318713473,MCULE-8040316309	324.191	NMAPNIMOVZQJLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079704
Fc1ccc(c(c1)CNC1CC(n2c1ncc2)C)Br	MCULE-1671000773,EMOLS-id_317919609	324.191	DJQVKPBSOASOCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079705
Fc1ccc(c(c1)CNCc1cnc2n1CCC2)Br	EMOLS-id_317915757,MCULE-2740211744	324.191	WPXJPHDKOWJQMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079706
Fc1cc(CNC2CC(n3c2ncc3)C)cc(c1)Br	MCULE-7402421126,EMOLS-id_318212059	324.191	SGFNSJVEONMARP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079707
Fc1cc(CNCc2cnc3n2CCC3)cc(c1)Br	MCULE-9663276528,EMOLS-id_318176866	324.191	FVBXDYXMDOPVTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079708
CC(C)C1(CN(C1)C(=O)NC2CCN3C2=NC=C3)C4=CC=CC=C4	MCULE-3276556396,EMOLS-id_317261547,PC-id_154760533	324.195	LRJJUHVKRGCANQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-079709
Brc1cccc(n1)C(=O)Nc1sc2c(n1)CCC2	PC-id_103889584	324.196	URPPEQPQZUBEHS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079710
Brc1ccc(cn1)C(=O)Nc1sc2c(n1)CCC2	PC-id_66465113,EMOLS-id_314732047	324.196	BXASUKWGADFUKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079711
Brc1ccc(nc1)C(=O)Nc1sc2CCCc2n1	EMOLS-id_314214752,PC-id_62953915	324.196	HBHLTZVHWQDYKF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079712
Brc1cncc(c1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_181475769,PC-id_33039701,MCULE-9963659001	324.196	XUYGHUXUURIAPN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079713
Brc1nccc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_103754015	324.196	JHQRYDFYIDRKBW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079714
Brc1ncc(NC(=O)c2sc3CCCc3c2)nc1	PC-id_65551559	324.196	WBTNAURLKFDHQT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079715
O=C(c1cccnc1Br)Nc1sc2c(n1)CCC2	PC-id_103754016	324.196	JXAZHRKIXHFRNI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079716
O=C(c1ncccc1Br)Nc1sc2c(n1)CCC2	PC-id_113969270	324.196	ZYLFYUZVSMOQCE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079717
Clc1cc(CC2CCc3[nH]c(cc23)C(=O)OC)ccc1Cl	SCHEMBL1004434,PC-id_59180198	324.202	VIDSXBKWEQMRQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079718
c1(CNC(=O)c2cc(Cl)cc(Cl)c2)c2CCCc2nn1C	EMOLS-id_53884615,ZINC22_225817495,PC-id_91819373,MCULE-9935712223	324.205	LSSFUSZKAOCRMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079719
c1(C(=O)NCCc2ccc(cc2Cl)Cl)cn2c(CCC2)n1	EMOLS-id_321295064,MCULE-4517720651	324.205	CNUFAAUEGWXOPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079720
O=C(c1ccc(c(c1Cl)Cl)C)NCc1cnc2n1CCC2	EMOLS-id_319891342,MCULE-5204092646	324.205	UVABPALNQMFYET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079721
O=C(c1ccc(c(c1Cl)Cl)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319102068	324.205	RUORUJPXJJUOHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079722
O=C(c1cnc2n1CCC2)NCCc1ccc(c(c1)Cl)Cl	EMOLS-id_318386135	324.205	BYMHFCOLLIIEQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079723
O=C(Cc1ccc(cc1Cl)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318788822	324.205	LEGOPKJYBFDUEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079724
O=C(Cc1cccc(c1Cl)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318870841	324.205	NNMQBDPGVMFEAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079725
O=C(Cc1ccc(c(c1)Cl)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318943117	324.205	VKYPMQBVDAMBQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079726
O=C(Cc1cc(Cl)ccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_319333331	324.205	XPHUELHXFSRLEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079727
O=C(Cc1c(Cl)cccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_319006558	324.205	JJTUGWWNLXKXTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079728
O=C(Cc1c(Cl)cccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318894642	324.205	VJQCAKKIRWAZKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079729
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN(C)OC(=O)C(F)(F)F	PC-id_87851362,SCHEMBL5536143	324.213	JKHQHOGHHIJLDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079730
BrCCCCN1S(=O)(=O)c2c(scc2)C1=O	PC-id_49874755	324.215	LPRKXDZBKBOJSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079731
O=C(NCCC1=CCCC1)c1c(Br)nc2n1CCC2	EMOLS-id_177269330,MCULE-3098593284,ZINC22_521394682	324.216	LMPHMFMKEHPKSP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-079732
CC(c1nn2c(c1)CCC2)NCc1c(Br)cnn1C	EMOLS-id_318195856,MCULE-9095371301	324.22	UKAHDPOGCPKQQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079733
Brc1ccc(nc1)CC(c1sc2c(c1)CCC2)O	PC-id_115833115	324.236	PLSPOGOIJTXOEU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079734
Brc1cncc(c1)CC(c1sc2c(c1)CCC2)O	PC-id_113665036	324.236	OCUKZPZANQWXDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079735
Brc1c(C)ccnc1NCc1sc2c(n1)CCC2	EMOLS-id_318451220,MCULE-6713030230	324.239	NNNASPLODSZVCD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079736
Brc1ccc(nc1)CNCc1sc2c(n1)CCC2	MCULE-7065720282,EMOLS-id_318716637	324.239	WGWKRHBJDBDKSN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079737
Brc1cccnc1CNCc1sc2c(n1)CCC2	MCULE-7234449837,EMOLS-id_318432742	324.239	APLCPJJBCMGXCT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079738
Brc1cc(NCc2sc3c(c2)CCC3)nc(n1)C	PC-id_114156599	324.239	PCBDIIHAZGGZKN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079739
Brc1cc(NCc2sc3c(n2)CCC3)cnc1C	EMOLS-id_318574551,MCULE-8985208106	324.239	NREGLFZEZPXFHO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079740
Brc1cncc(c1)CNCc1sc2c(n1)CCC2	EMOLS-id_318459031,MCULE-1996215291	324.239	GAXPIRSIBFOPHK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079741
Brc1cnc(c(c1)C)NCc1sc2c(n1)CCC2	EMOLS-id_318490727,MCULE-5611358699	324.239	AKPVKDCBQZXMAO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079742
Brc1cnccc1CNCc1sc2c(n1)CCC2	EMOLS-id_318743963,MCULE-5953017794	324.239	BRUBJJKRJJIJRH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079743
Brc1cnc(c(c1)NCc1sc2c(n1)CCC2)C	MCULE-2147947381,EMOLS-id_318174707	324.239	HTWZXSGVAGFMOD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079744
Brc1cnc(c(c1)N)NCc1sc2c(c1)CCC2	PC-id_108197218	324.239	HPFOZWCCTIBNOU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079745
Brc1sc2c(c1)C(CC2)NCCc1cnccn1	EMOLS-id_317918905,MCULE-1630282311	324.239	YBENYOJSXJYPKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079746
BrCC1(Sc2n(C1)c(nn2)Cc1ccccc1)C	PC-id_24211782	324.239	DJRFIRLSBBCDLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079747
BrC[C@@]1(Sc2n(C1)c(nn2)Cc1ccccc1)C	PC-id_51870452	324.239	DJRFIRLSBBCDLB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079748
BrC[C@]1(Sc2n(C1)c(nn2)Cc1ccccc1)C	PC-id_51870453	324.239	DJRFIRLSBBCDLB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079749
Cc1ccc(c(n1)NCc1sc2c(n1)CCC2)Br	EMOLS-id_318665850,MCULE-1174802384	324.239	JKXMQCZUYPMTLK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079750
Cc1c(cncc1Br)NCc1sc2c(n1)CCC2	MCULE-5994457598,EMOLS-id_318521890	324.239	ALVSRWSXEMOCHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079751
Cc1cc(NCc2sc3c(n2)CCC3)ncc1Br	EMOLS-id_318694808,MCULE-7751357881	324.239	JUIQFLSCZFWGNR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079752
Cc1cnc(c(c1)Br)NCc1sc2c(n1)CCC2	EMOLS-id_318530683,MCULE-1545835608	324.239	JYTMZJYWHFIFHY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079753
Cc1ncnc(c1)CNC1CCc2c1cc(s2)Br	EMOLS-id_318085229,MCULE-8914696739	324.239	QPKCULNKKJMIBP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-079754
Cc1nc(NCc2sc3c(n2)CCC3)ccc1Br	MCULE-4084345930,EMOLS-id_318429108	324.239	KROKMLQTMHDIJM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079755
CNC(c1sc2c(n1)CCC2)c1ccc(cn1)Br	PC-id_104272603	324.239	WQSSTGLJIRWGMM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079756
CNC(c1sc2c(n1)CCC2)c1cncc(c1)Br	PC-id_113469640	324.239	DDCVEVYCCLQUES-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079757
Nc1cnc(c(c1)Br)NCc1sc2c(c1)CCC2	PC-id_114050498	324.239	LHGUBNGZLVGQHP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079758
FC(F)(F)c1cc([N+](=O)[O-])c(NN=C2CCn3c2ccc3)cc1	PC-id_72057001,MCULE-6150989244,EMOLS-id_300594480	324.258	WTOBLVNOYYKCKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079759
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C
/CCn2cccc12	ZINC22_102727568,PC-id_56807380	324.258	WTOBLVNOYYKCKH-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079760
CN1[CH]n2c(c(nc2C1=C(C(=O)OC)O)C(=O)OC)C(=O)OC	PC-id_136695045	324.266	GNSRPYUEAYGMPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079761
COC(=O)C=C(N1[CH]N(c2c1noc2C(=O)OC)C)C(=O)OC	PC-id_102239524	324.266	CCMKTTKRBBITOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079762
FC(Oc1ccc(cn1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319095365	324.286	CUUAJSUKVRDXFD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079763
FC(Oc1ccc(nc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319329438	324.286	XQHGDMDTAQDQIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079764
OC(=O)C1=C(C(=Nc2ccc(cc2)C=C)n2nc(nc12)C(=O)O)C	PC-id_58776997	324.291	GIALEMRVHAHSQR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-079765
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(c2)C(F)(F)F)n1	EMOLS-id_330985213,MCULE-7697715239	324.298	BINFXXKITSPOPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079766
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2C(F)(F)F)n1	MCULE-8043740293,EMOLS-id_330983165	324.298	HGCAFUCMZUUCHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079767
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)C(F)(F)F)n1	MCULE-9498761059,EMOLS-id_330984956	324.298	FZGHLMZFULELJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079768
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1C(F)(F)F	EMOLS-id_330966201,MCULE-9492876160	324.298	SLUYGEBOXMJKOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079769
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)C(F)(F)F	EMOLS-id_330967992,MCULE-5361925883	324.298	VOHOTZJUJXGHGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079770
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(c1)C(F)(F)F	EMOLS-id_330968249,MCULE-3491184428	324.298	JKMGTGIXIHGSBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079771
Fc1c(C[C@@H](N)CC(=O)N2Cc3c(C2)coc3)cc(F)c(F)c1	PC-id_56656203	324.298	XNAPZJVGYIUQBM-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079772
Fc1c(CC(N)CC(=O)N2Cc3c(C2)coc3)cc(F)c(F)c1	PC-id_76388662	324.298	XNAPZJVGYIUQBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079773
O=C(c1[nH]c2c(c1)CCC2)Nc1cccc(c1)C(C(F)(F)F)O	EMOLS-id_318861119	324.298	OCPQERBOMARLSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079774
c1(CNC(=O)c2ccc(nc2)C(F)(F)F)c2CCCc2nn1C	MCULE-1086152298,EMOLS-id_53884651,ZINC22_225818041,PC-id_91819391	324.301	BCWMQKNOIQBDIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079775
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1c2c(nn1C)CCC2	ZINC22_65855952,PC-id_146125773	324.301	XJPDCDRVBGLRKL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079776
Cc1nnc2n1C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C2	ZINC22_1875294218	324.301	NKGUDENJTYFHFW-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079777
Cc1nnc2n1C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C2	ZINC22_1875294219	324.301	NKGUDENJTYFHFW-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-079778
CC(c1nnc2n1CCC2)NC(=O)c1cc(c(cc1)C(F)F)F	PC-id_136562724,MCULE-3920062168,EMOLS-id_316961425	324.301	QTAMTLKRKXUNQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079779
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2n1CCC2	PC-id_93608668,CoCoCo_4622717,ZINC22_40488987	324.301	KOCOBRZMVBLXDY-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-079780
C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2n1CCC2	ZINC22_40488988,PC-id_93608669,CoCoCo_4622718	324.301	KOCOBRZMVBLXDY-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079781
C[C@@H](NC(=O)c1ccc(C(F)F)c(F)c1)c1nnc2n1CCC2	ZINC22_930482814	324.301	QTAMTLKRKXUNQK-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079782
C[C@H](NC(=O)c1ccc(C(F)F)c(F)c1)c1nnc2n1CCC2	ZINC22_930482815	324.301	QTAMTLKRKXUNQK-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079783
C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nnc2n1CCC2	ZINC22_40488985,CoCoCo_4622716,PC-id_93608666	324.301	JOVBZHHDGKBFOW-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-079784
C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nnc2n1CCC2	ZINC22_40488986,PC-id_93608667,CoCoCo_4622715	324.301	JOVBZHHDGKBFOW-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079785
Cn1nc2c(c1C(=O)N(CC(F)(F)F)c1ccccn1)CCC2	ZINC22_902817429,PC-id_136569751,MCULE-7340437186,EMOLS-id_316941303	324.301	GQQVHOGTNHCYLH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079786
Cn1nc2c(c1NC(=O)Cc1cccc(C(F)(F)F)n1)CCC2	PC-id_136562780,ZINC22_930592398,MCULE-9469233545,EMOLS-id_316961691	324.301	XGLUTUYVBXELDB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079787
Fc1c(C[C@@H](N)CC(=O)N2Cc3[nH]ncc3C2)cc(F)c(F)c1	PC-id_56656135	324.301	JZAABUPLHZRKSG-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079788
Fc1c(CC(N)CC(=O)N2Cc3[nH]ncc3C2)cc(F)c(F)c1	PC-id_76388651	324.301	JZAABUPLHZRKSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079789
FC(F)(F)c1ccc(C(=O)NC(c2n3CCCc3nn2)C)cc1	EMOLS-id_31875214,PC-id_45804911,MCULE-3084194533	324.301	JOVBZHHDGKBFOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079790
FC(F)(F)c1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1	MCULE-9238698112,EMOLS-id_31875216,PC-id_45804912	324.301	KOCOBRZMVBLXDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079791
FC(F)(F)c1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1	PC-id_60360986	324.301	WKOAGYCROKHCEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079792
O=C(c1cc(cnc1C)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319599524	324.301	ZNJNINPYUIGEQC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079793
O=C(c1ccc(nc1C)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_320324913,MCULE-6295637700	324.301	JVMFIXMAESTMHG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079794
O=C(C1NCc2c1c[nH]n2)NCc1ccccc1CC(F)(F)F	EMOLS-id_319716193	324.301	GMOGXECLJSNAOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079795
O=C(C1NCc2c1c[nH]n2)NCc1ccc(cc1C)C(F)(F)F	EMOLS-id_319729841	324.301	GUZIWZRCKRAAKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079796
O=C(C1NCc2c1c[nH]n2)NC(c1ccccc1C(F)(F)F)C	MCULE-1572362266,EMOLS-id_320002280	324.301	ZIHDAWNZYABDJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079797
O=C(C1NCc2c1c[nH]n2)N(Cc1ccccc1C(F)(F)F)C	MCULE-2472648761,EMOLS-id_320273666	324.301	TUMPILWSJMMJSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079798
O=C(C1NCc2c1c[nH]n2)N(Cc1ccc(cc1)C(F)(F)F)C	MCULE-6073579383,EMOLS-id_320146869	324.301	OJMZPUIDAVGQGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079799
O=C(C1NCc2c1c[nH]n2)NCCc1ccccc1C(F)(F)F	EMOLS-id_318980308	324.301	IRTGHHJVGUHMHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079800
O=C(C1NCc2c1c[nH]n2)NCCc1ccc(cc1)C(F)(F)F	EMOLS-id_320054746,MCULE-5812268462	324.301	VABAOZGXGMPCEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079801
O=C(Cc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2	PC-id_38170276,ZINC22_30997922,MCULE-6145156870,EMOLS-id_36627030	324.301	TVPLTVJVPRSZSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079802
O=C(Cc1cccc(n1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319399426	324.301	OSEUAPLAFBTYSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079803
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NCc1cccnc1	EMOLS-id_318468108	324.301	KWAWYJUKXGJXEA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079804
O=C(N1Cc2c(C1)cnn2C)CNc1cccc(c1)C(F)(F)F	MCULE-4958759837,EMOLS-id_317991355	324.301	HCFBWKLHDDCOMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079805
O=C(N1CCn2c1ccn2)CNC(C(F)(F)F)c1ccccc1	MCULE-5024256003,EMOLS-id_318665357	324.301	OXQGYPPOABQDCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079806
O=C(N1CCn2c1ncc2)CNC(C(F)(F)F)c1ccccc1	EMOLS-id_318447623,MCULE-5968724865	324.301	LPURKVSGXSVHIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079807
O=C(NCCc1nnc2n1CCC2)c1ccccc1C(F)(F)F	PC-id_75403227,MCULE-9699299299,EMOLS-id_48213761,ZINC22_95350130	324.301	LGCKGOGSNCVRBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079808
O=C(NCCc1nnc2n1CCC2)c1cccc(C(F)(F)F)c1	MCULE-8371458511,ZINC22_54562514,PC-id_53504232,EMOLS-id_35688764	324.301	BEJUOGAIULXQON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079809
O1C(CN2CCC(NC(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69480430,SCHEMBL5539019	324.313	SDTRMZSQMZPLJN-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-079810
O1[C@@](CN2CCC(NC(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69480432,SCHEMBL5539023	324.313	SDTRMZSQMZPLJN-ZDUSSCGKSA-M	00000010100010000001000010000000000000000000000000000000	25-01-079811
CCCCCCCCC1=NC(=O)c2c1c(C)[se]c2C	PC-id_140648051	324.32	UOIZTNMOBWNOEI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-079812
CC[n+]1c2CNC(=O)c2c(n1Cc1ccccc1C(F)(F)F)C	PC-id_110170971	324.321	MSCPGKFYKBNBPJ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-079813
n12N=C(C(C)(C)C)C(=[NH+]Nc3nn(c(n3)C#N)C#N)c1nc(n2)C	PC-id_59247772	324.324	BBANUODEOWNOON-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-079814
N#Cc1ncc(cc1NCc1sc2c(n1)CCC2)C(F)(F)F	MCULE-8671041964,EMOLS-id_318516482	324.324	SUTOUHOWPKTOHP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079815
c1(C(=O)NCCc2onc(c3ccncc3)n2)c2CCCc2[nH]n1	EMOLS-id_323259316,MCULE-8396240185	324.337	GBCLPPMACQUJMV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079836
Fc1ccc(cc1)S(=O)(=O)CC(=Nc1onc2c1CCC2)O	MCULE-8622403553,PC-id_16942367,Chemmine_45369,EMOLS-id_12336593,CoCoCo_5123855,ChEMBL-DNDi_CHEMBL2093677	324.327	JFPPDJQNUYZHPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079816
COC(=O)c1occc1C=CC(=O)c1c(C)n2c(c1C#N)CCC2	EMOLS-id_36969045,PC-id_72137614,MCULE-1231082778	324.331	HSGDTNLVUICPDE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-079817
COC(=O)c1occc1/C=CC(=O)c1c(C)n2c(c1C#N)CCC2	PC-id_98517450	324.331	HSGDTNLVUICPDE-WAYWQWQTSA-N	00000010101000000000000010000000000000000000000000000000	25-01-079818
COC(=O)c1occc1/C=C/C(=O)c1c(C#N)c2n(c1C)CCC2	ZINC22_71893873,PC-id_56786407	324.331	HSGDTNLVUICPDE-AATRIKPKSA-N	00000010101000000000000010000000000000000000000000000000	25-01-079819
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)c1ccccc1F	PC-id_90999316	324.331	MMUWDPKPSPOVBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079820
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)c1cc(ccc1)F	PC-id_91092547	324.331	NFOPRCCYWHYYOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079821
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2914234,PC-id_68439122	324.331	OBDFYXWJLKKJPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079822
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2914270,PC-id_68439132	324.331	OBYOOWBHEOZXPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079823
O=C(c1ccccc1F)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68442255,SCHEMBL2923053	324.331	QBSFDWLXCKPJII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079824
COC1OCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319786543	324.332	DJVSEPHBQCFCFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079825
c12CN(Cc1cnn2CCO)C(=O)c1cc(on1)c1ccccc1	MCULE-2486662264,PC-id_56748591,EMOLS-id_232798510,ZINC22_67856751	324.334	RESCMDBXIMJEBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079826
c1(C(=O)NCc2ccco2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-6820336249,EMOLS-id_316322618	324.334	QFRQQTUKUYCXRQ-HNNXBMFYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-079827
c1(C(=O)NCc2ccco2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316252666,MCULE-9336179880	324.334	QOXWXRAYDNKMES-HNNXBMFYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-079828
c1(C(=O)NCc2ccco2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-6432159680	324.334	QOXWXRAYDNKMES-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-079829
O=C(c1nn2c(c1)CC(C2)Oc1cccnc1)NCc1ccco1	MCULE-5838526856	324.334	QFRQQTUKUYCXRQ-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-079830
O=C(N=c1cc2n([nH]1)CCC2)c1cccc(N2C(=O)CCC2=O)c1	MCULE-2624864701,EMOLS-id_324066159,PC-id_146105920,ZINC22_1857527760	324.334	YTSBQGJVQXKVQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079831
COCc1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324898823	324.336	XQZDRFVCRVSOAT-DAXSKMNVSA-N	00000000100100000001000010000000000000000000000000000000	25-01-079832
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COC	MCULE-4861004261	324.336	XQZDRFVCRVSOAT-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-079833
c1(C(=O)Nc2n[nH]c(c3ccccc3OC)n2)c2CCCc2n[nH]1	EMOLS-id_48563958,PC-id_71702487,MCULE-1846909761,STOCK7S-40926,ZINC22_95473874,EMOLS-id_49403189	324.337	KZHMVHIBUOWRFK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079834
c1(C(=O)N(C)Cc2onc(c3ccccn3)n2)c2CCCc2[nH]n1	PC-id_70712127,MCULE-3082640722,ZINC22_77301882,EMOLS-id_43558889	324.337	LTNVBGAYHVZABF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079835
C#CCNC(=O)C1CCc2nnc(n12)CNC(=O)c1cnccc1	PC-id_134787441	324.337	ICOUUPHMTVQXJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-079837
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C#N	PC-id_68439935,SCHEMBL2916411	324.337	XQRSKCGIGUZRPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079838
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1C#N	PC-id_68879244,SCHEMBL4017921	324.337	FYJOPWJRBHHVMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079839
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccc(c1)C#N	SCHEMBL2916131,PC-id_68439850	324.337	VADKZRGXUHWPCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079840
CCNC(=O)N1Cc2c(C1)[nH]nc2N(C#N)C(=O)c1ccccc1	SCHEMBL4017924,PC-id_87610644	324.337	KJJCSNDQVVCAHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079841
CCNC(=O)N1Cc2c(C1)n(nc2)NC(=O)c1cccc(c1)C#N	PC-id_70017271,SCHEMBL7191195	324.337	YTAUFIGXAUTICP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079842
COc1cccc(n2cc(C(=O)N3Cc4cnn(C)c4C3)nn2)c1	ZINC22_585140358,MCULE-7636410592,EMOLS-id_313145923	324.337	CCOUKSPYWAEABA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079843
NC(=O)C1CC(=NN1c1ccccc1)C(=O)N1CCn2c1ccn2	MCULE-1799559039,EMOLS-id_316055452	324.337	DVBZNYDBAPQWDI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-079844
NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)N1CCn2nccc12	ZINC22_375585951	324.337	DVBZNYDBAPQWDI-CYBMUJFWSA-N	00000011100000110001100010000000000000000000000000000000	25-01-079845
NC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)N1CCn2nccc12	ZINC22_375585952	324.337	DVBZNYDBAPQWDI-ZDUSSCGKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-079846
O=C(c1cc(ccc1O)n1cncc1)NC1CC(n2c1ncn2)C	EMOLS-id_320078901,MCULE-7667296008	324.337	JFRKEBSMMZTRBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079847
O=C(c1nn2c(c1)OCC2)NCc1nnc(n1C)c1ccccc1	EMOLS-id_319267300	324.337	KVPJONLSKRNRCS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079848
O=C(c1nn2c(c1)OCC2)NCCn1nnc(c1)c1ccccc1	EMOLS-id_319598576	324.337	DHUIGAGCGSRYFD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079849
O=C(N1Cc2n(ncc2C1)CCO)c1nnn(c1)c1ccccc1	PC-id_56885806	324.337	CCHNKSVOVHZEFS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079850
CC1CCc2c1c(CO)nn2Cc1cc(ccc1C)C(F)(F)F	EMOLS-id_331006462,MCULE-1376324562	324.341	IQJMBCJWZMCYIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079851
CC1CCc2c1c(CO)nn2Cc1cccc(c1C)C(F)(F)F	EMOLS-id_331007230,MCULE-4430958983	324.341	GQEPPBVHOPVKNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079852
CC1CCc2c1c(CO)nn2Cc1ccc(C)c(c1)C(F)(F)F	EMOLS-id_331006718,MCULE-7238045223	324.341	LOXCMNNRBJABOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079853
CC1CCc2c1c(CO)nn2Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_331006974,MCULE-9739172930	324.341	JJGCUFGABXSKPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079854
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(CO)c12	MCULE-2512235001,EMOLS-id_330993336	324.341	WXLAYJQHEZFBIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079855
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(CO)c12	MCULE-5092197284,EMOLS-id_330990009	324.341	AMHRLLPUMGURCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079856
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(CO)c12	MCULE-1798271924,EMOLS-id_330993592	324.341	LQDOSUMREBKJDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079857
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(CO)c12	MCULE-3578211317,EMOLS-id_330989753	324.341	QWKWAYWOUWSJTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079858
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-9908532062,EMOLS-id_331009446	324.341	PZACKOWFMBJBJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079859
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1CO	EMOLS-id_330989754,MCULE-2455138392	324.341	PEFWSHZFAHVVGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079860
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1CO	EMOLS-id_330993341,MCULE-1253444179	324.341	VRNXDHYIHSZPRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079861
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1CO	MCULE-2682185781,EMOLS-id_330991548	324.341	DETIHVKEUWDCOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079862
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-1750008149,EMOLS-id_331009190	324.341	GECBOTWFYXMVRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079863
CC(c1nn(c2c1CCC2)Cc1ccc(cc1)OC(F)(F)F)C	SCHEMBL20866466,PC-id_138514738	324.341	GTDWVLULEQNPQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079864
n12CCCc1nnc2CNC(=O)C(c1ccccc1)n1cnnn1	PC-id_91760049,EMOLS-id_55602912,MCULE-3298105313	324.341	VVJLWBMMLBINAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079865
O=C([C@H](n1cnnn1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_100002325	324.341	VVJLWBMMLBINAK-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079866
O=C([C@@H](n1cnnn1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_100002330	324.341	VVJLWBMMLBINAK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079867
O=C(NCCc1n2CCCc2nn1)c1c(n2nnnc2)cccc1	PC-id_53525522	324.341	IDDCROHMTFYBCA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079868
Cc1cc(ccc1CNC(c1nnc2n1CCC2)C)C(F)(F)F	MCULE-5164940932,EMOLS-id_318177009	324.344	OVGLWZUGMGNLIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079869
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)C)C(F)(F)F	MCULE-5219174632,EMOLS-id_318224240	324.344	NENJHNJQSORXLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079870
N#CC(CCn1cc2c(n1)C(CC2)(C)C)(CCC(F)(F)F)C#N	PC-id_142756520	324.344	NSKDJBAWFIGQGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079871
C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NNC(=S)S	PC-id_137710400	324.346	KUKZERQDUOFRFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079872
O=C(c1ccc(c(c1F)O)F)NCCc1sc2c(n1)CCC2	EMOLS-id_319031800	324.346	MRMFMWNCCPMDFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079873
s1c2CCCc2nc1NC(=O)Cc1ccc(OC(F)F)cc1	PC-id_33040203	324.346	HNYVFSQTCDEBCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079874
C/C=CC(=C/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)[S@@](=O)CC#N)F)F	PC-id_138605447,SCHEMBL20967680	324.349	AOBYXLZCDJRYNN-UPLKTTNNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079875
C/C=CC=C(/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)[S@@](=O)CC#N)F)F	PC-id_138605526,SCHEMBL20967764	324.349	QXNFUTVKLGNTEY-BCCBCCTMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079876
C/C=C(C=C/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)[S@@](=O)CC#N)F)/F	SCHEMBL20967720,PC-id_138605483	324.349	UWJACJIWIVLPAX-QUDDKUKPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079877
O=C(CSc1ccc(F)cc1F)NCc1nnc2n1CCC2	EMOLS-id_33302833,PC-id_51076052,ZINC22_42648538,MCULE-5997649922	324.349	XUUFJRMKKBRHKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079878
CC(C)NC(=O)C1CCCN(C1)C(=O)c1nn2CCOc2c1F	PC-id_91960091	324.351	KVNCGMHWTXLMSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079879
CC(C)NC(=O)C1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960092	324.351	MFRHJXBTNFCTDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079880
CN(C)C(=O)COCc1n[nH]c2c1CN(C(=O)C1(F)CCC1)C2	EMOLS-id_313726674,ZINC22_1565549688	324.351	ZNVICDGXAKKCQY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-079881
COCCNC(=O)c1cnc2CCC(CNC(=O)C3(F)CC3)n12	EMOLS-id_313763265	324.351	LXDGGIOTJRJCSV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-079882
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)C1(F)CC1)CC2	ZINC22_1565545732	324.351	LXDGGIOTJRJCSV-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-079883
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)C1(F)CC1)CC2	ZINC22_1614928281	324.351	LXDGGIOTJRJCSV-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-079884
COC(=O)c1c(NC(=O)N[C@@H]2CCCC[C@H]2F)nc2n1CCC2	EMOLS-id_318982872	324.351	JOJJJTKJILGIHF-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079885
O=C(N1CC(C1)C(C(=O)N1CCn2c1ncc2)F)OC(C)(C)C	MCULE-2948988539,EMOLS-id_258164359	324.351	YNKKNUNRGQRPQI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-079886
c1(NC(=O)C(=O)N2CCOCC2)sc2c(CCC2)c1C(=O)O	MCULE-6558883808,CHEMBL1428705,EMOLS-id_4752527,ChEMBL-DNDi_CHEMBL1428705,STOCK6S-18400,CoCoCo_1114097,PC-id_17585776,ZINC22_6760785	324.352	BGPYBZJRHOPZNC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079887
N#Cc1cc(F)cc(c1)C1(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319930103,MCULE-6154984393	324.352	LTSBSTDXBJDPQV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-079888
C1(=CNc2sc3c(CCC3)c2C#N)C(=O)NC(=O)C(=C1C)C#N	MCULE-5184679923,PC-id_6823864	324.357	NMTYZDWQSHVAGI-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-079889
Cc1c(c(=O)[nH]c(c1/C=N/c1c(c2c(s1)CCC2)C#N)O)C#N	PC-id_135589268	324.357	LNTJGEHGGNWHAU-FBCYGCLPSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079890
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1ccccc1	MCULE-5972976567	324.357	HUDQRGJIEKOWQW-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-079891
N#CC1=C(C)/C(=C/Nc2sc3c(c2C#N)CCC3)/C(=O)NC1=O	TIMTEC336241,PC-id_6068917	324.357	NMTYZDWQSHVAGI-GHXNOFRVSA-N	00000010100011000000000010000000000000000000000000000000	25-01-079892
O=c1n2nc(COc3ccccc3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324843254	324.357	HUDQRGJIEKOWQW-LCYFTJDESA-N	00000000110000110001000010000000000000000000000000000000	25-01-079893
OC[C@H](CN(Cc1sc2c(n1)CCC2)CCC(F)(F)F)O	PC-id_109975275	324.362	GAWUIXQGYOTOSZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-079894
n12N=C(C(C)(C)C)C(=NNc3[n-]nc(c3[N+]#[C-])CC)c1nc(n2)C	PC-id_58400709	324.364	QWROVLPAIFCAGD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-079895
C=Cc1cccc(c1S(=O)(=O)O)OC1Oc2c(C1)csc2	PC-id_140032483	324.372	MOEOUBMETPNNNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079896
CC(C)COC(=O)N(C(=O)OCC(C)C)c1onc2c1CCC2	CHEMBL180727,PC-id_44391581	324.372	XAJONQAHAOWAIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079897
CCCCOC(=O)N(C(=O)OCCCC)c1onc2c1CCC2	PC-id_44391648,CHEMBL360941	324.372	QLAQJWRJUVTVGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079898
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OCC	PC-id_7174646	324.372	NFCKGJWRKAJUIC-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-079899
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OC(C)C	PC-id_40559127	324.372	VJOBETNPDWOKGW-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-079900
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OCCC	PC-id_7308642	324.372	VKYWOVJNFNNCHL-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-079901
Fc1ccc(cc1)CS(=O)(=O)NCCc1nnc2n1CCC2	MCULE-9014958228,PC-id_45821877,EMOLS-id_31950115	324.374	IVWYJDYNOHBOSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079902
Fc1cc(ccc1NC(c1nnc2n1CCC2)C)S(=O)(=O)C	MCULE-9508809499,EMOLS-id_318297045	324.374	HMLYWKGSPXIKDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079903
O=C(c1occ2c1CCC2)N(C1CC1)Cc1ccc(cc1)C(=O)N	EMOLS-id_318296232	324.374	WJGANAFTFLKWMB-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-079904
O(C(=O)c1[nH]c2c(CCC2)c1/C=C/C(=O)Nc1ccccc1)CC	PC-id_10567990	324.374	LCLLSIVTUXMGIM-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079905
O(C(=O)c1[nH]c2c(CCC2)c1C=CC(=O)Nc1ccccc1)CC	PC-id_85188430	324.374	LCLLSIVTUXMGIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-079906
CCC(=O)On1nc2c(c1N)CN(C(=O)OC(C)(C)C)C2(C)C	EMOLS-id_95576568,MCULE-6541474655,ZINC22_498050906	324.375	ZEIIFSVSHZNOJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079907
CCC(=O)On1nc(N)c2CN(C(=O)OC(C)(C)C)C(C)(C)c12	EMOLS-id_95576532,MCULE-6351279109	324.375	GGCVSJMKSXWHFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079908
CCOC(=O)n1nc2c(c1N)CN(C(=O)OC(C)(C)C)C2(C)C	ZINC22_91296976,MCULE-6646189508,SCHEMBL1206431,PC-id_57523245,EMOLS-id_43472626	324.375	ULJAXXIYTXRCKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079909
CCOC(=O)n1nc(c2c1C(CC)N(C2)C(=O)OC(C)(C)C)N	PC-id_138755363	324.375	KLQFGNLUYPSSSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079910
CCOC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2	SCHEMBL596325,PC-id_57353085,EMOLS-id_195853553,EMOLS-id_49829518,MCULE-5398303367,EMOLS-id_317656739,ZINC22_71864237	324.375	IJRZSSYHHCGXMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079911
CON(C(=O)c1nc2c(n1CC)CN(C2)C(=O)OC(C)(C)C)C	SCHEMBL17380450,PC-id_118614185	324.375	CBHZIGKMYDAHRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079912
O=C(N1Cc2c(C1)c(nn2C(=O)OC(C)(C)C)N)OC(C)(C)C	SCHEMBL19358335	324.375	XRYWDXUMQBRTKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079913
s1c2c(CCC2)c(c1NS(=O)(=O)c1cccnc1)C(=O)O	PC-id_43328057	324.375	WRTJBVFOHNVSAZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-079914
s1c2CCCc2nc1NS(=O)(=O)c1cc(ccc1)C(=O)O	PC-id_60682769	324.375	JPIDSIMRNWQJOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079915
s1c2CCCc2nc1NS(=O)(=O)c1ccc(cc1)C(=O)O	PC-id_60682890	324.375	CUAKFFSYEBOYFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079916
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1cccc(C)c1	EMOLS-id_168604163,MCULE-4902267330	324.377	HQOJHJJMCWSLBF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-079917
c12CN(Cc1nn(C(C)(C)C)c2C#N)C(=O)OCc1ccccc1	EMOLS-id_324356203,MCULE-8335082630	324.377	FHWROWKQMIJRDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079918
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C(=O)c2ccccn2)C1	MCULE-5838340404,EMOLS-id_49893467,PC-id_77094124	324.377	VCHADFGBYBBPFW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-079919
c1(c2CCCc2[nH]n1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)C	ZINC22_77485729,PC-id_70767308,MCULE-5489083978,EMOLS-id_43593021	324.377	HRKMFVGASYAEGT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079920
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)C1CC1	MCULE-1088100219	324.377	HPQQCPNHEVTHFS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-079921
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)C1CC1	EMOLS-id_316320053,MCULE-8408865883	324.377	HPQQCPNHEVTHFS-AWEZNQCLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-079922
c1(C(=O)NCc2ccc(cc2)N2CCCC2=O)c2CCCc2[nH]n1	PC-id_77091909,MCULE-6116818008,EMOLS-id_49889629,ZINC22_216031026	324.377	BLVSWKHIDZFVBF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079923
Cc1ccc(cc1)C1(C)CC(=O)N(C1=O)Cc1nnc2n1CCC2	EMOLS-id_318928252	324.377	LMGLIKCLLWFZQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079924
Cc1ccc(cc1)CN1C(=O)CCC1C(=O)N1CCn2c1ccn2	EMOLS-id_316055196,MCULE-2887529722	324.377	KQGHIBFNMPSQEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079925
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCn3nccc23)cc1	ZINC22_367500210	324.377	KQGHIBFNMPSQEC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079926
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCn3nccc23)cc1	ZINC22_367500211	324.377	KQGHIBFNMPSQEC-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079927
Cn1c(c2CCCc2n1)C(=O)N1CC(=O)NCC1c1ccccc1	MCULE-3465315559,PC-id_136566677,EMOLS-id_316938948	324.377	XFSIMWONBXJTHE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079928
CN1CCC(C1=O)(Cc1ccccc1)C(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316082329,MCULE-5958695843	324.377	HTTYBNUGEGOGNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079929
CN1CC[C@](Cc2ccccc2)(C(=O)N2Cc3c[nH]nc3C2)C1=O	ZINC22_635949535	324.377	HTTYBNUGEGOGNG-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079930
CN1CC[C@@](Cc2ccccc2)(C(=O)N2Cc3c[nH]nc3C2)C1=O	ZINC22_635949538	324.377	HTTYBNUGEGOGNG-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079931
Cn1nc2c(c1C(=O)N1CC(=O)NC[C@H]1c1ccccc1)CCC2	ZINC22_886844256	324.377	XFSIMWONBXJTHE-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079932
Cn1nc2c(c1C(=O)N1CC(=O)NC[C@@H]1c1ccccc1)CCC2	ZINC22_886844257	324.377	XFSIMWONBXJTHE-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079933
CNC(=O)c1ccc(cc1)C=CC(=O)Nc1n(C)nc2c1CCC2	PC-id_71885733,EMOLS-id_44549858,MCULE-7883597667	324.377	KEIWJVDWWWNRLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079934
CNC(=O)c1ccc(/C=C/C(=O)Nc2c3c(nn2C)CCC3)cc1	PC-id_47794512,ZINC22_83882273	324.377	KEIWJVDWWWNRLD-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079935
COc1ccccc1c1noc(c1)CNCc1cnc2n1CCC2	PC-id_136551920	324.377	LPRTZTORKNRDLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079936
N#Cc1ccc(cc1)OC(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_318880043	324.377	ITZWTQJXCNFION-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079937
N#Cc1ccc(cc1)OC(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_319473056	324.377	ILEARSZYNGAJLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079938
O=C1CCCCN1c1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98025738	324.377	BFQQASIRTWYAHZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079939
O=C1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@H](c2ccccc2)N1	PC-id_146130857,ZINC22_580998578	324.377	YYCAEENERYYTLY-PBHICJAKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079940
O=C1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](c2ccccc2)N1	ZINC22_576923424,PC-id_146130822	324.377	RDTDAOPFNPYRPB-ZBFHGGJFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079941
O=C1CCC(N1)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319077140	324.377	NYVBMUHPRQIMPU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079942
O=C1CCC(N1)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319330919	324.377	KCEZQYOCKZIETB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079943
O=C1CC(NC(=O)N1Cc1cc2n(n1)CCC2)c1ccccc1C	MCULE-7621012847,EMOLS-id_319896628	324.377	VURNNSLFIAUHRF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-079944
O=C1NCC(C1)(C(=O)NCc1cnc2n1CCC2)c1ccccc1	EMOLS-id_319179501	324.377	CHVSJFUYFJPKQC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079945
O=C(C1CC1)Nc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319751907	324.377	OFIBTVPMHDGVIV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-079946
O=C(C1CC1)Nc1ccccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320038635,MCULE-5281841693	324.377	BROJWLVVOUAURI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-079947
O=C(C1CC1)Nc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319202834	324.377	SQECLWFSIWKRLD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-079948
O=C(C1CC1)Nc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319506143	324.377	GWOMNOCKWUEWFU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-079949
O=C(c1cccc(c1)N1CCCC1=O)NCc1cnc2n1CCC2	EMOLS-id_319820930,MCULE-2397990056	324.377	BPCFNAYKUWGVPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079950
O=C(c1ccc(cc1)N1CCCC1=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319403807	324.377	NNROMAXCKATCOG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079951
O=C(c1cccc(C(=O)N2CCn3nccc23)c1)N1CCCCC1	EMOLS-id_317002809,MCULE-4385555374,ZINC22_1775999915	324.377	ZMZYPFYPOISDLR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-079952
O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_99948217,ZINC22_216202375	324.377	VCHADFGBYBBPFW-LBPRGKRZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-079953
O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_216202329,PC-id_99948215	324.377	VCHADFGBYBBPFW-GFCCVEGCSA-N	00000010100010101001000010000000000000000000000000000000	25-01-079954
O=C(C1CC(=O)N(C1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319481109	324.377	GICIDIFLYFCPKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079955
O=C([C@H]1CCCN1C(=O)c1cc2n(n1)CCC2)Nc1ccccc1	EMOLS-id_318505854	324.377	UVUKTOHWGYUJJA-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079956
O=C([C@@H]1CC(=O)N(C1)c1ccccc1)Nc1n(C)nc2c1CCC2	PC-id_93477863	324.377	QQTZAWLLYGIGLG-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079957
O=C([C@H]1CC(=O)N(C1)c1ccccc1)Nc1n(C)nc2c1CCC2	PC-id_93477864	324.377	QQTZAWLLYGIGLG-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079958
O=C(N1Cc2c(C1)c(nn2C(C)C)Cn1cccc1)c1ccco1	PC-id_97519244	324.377	SMCKLVMISJXIRA-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-079959
O=C(NC1CC1)c1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1	PC-id_75405250,MCULE-5247251112,EMOLS-id_48221622,ZINC22_95369562	324.377	UWIOIHLLDBTLJZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-079960
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc2n(n1)CCC2	ZINC22_294494862,MCULE-8042337483,EMOLS-id_177279635	324.377	PWIKMRUHGQRHAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079961
O=C(Nc1n(nc2c1CCC2)C)C1CN(C(=O)C1)c1ccccc1	PC-id_45536843	324.377	QQTZAWLLYGIGLG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-079962
s1c2CCCc2nc1NC(=O)NCc1scc(n1)C(=O)O	PC-id_66379194	324.379	JSKAAVCJXUUARP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079963
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)[nH]nc(c2cccn2C)c1	PC-id_70755257,ZINC22_91713850,MCULE-8881401107,EMOLS-id_44728860	324.38	NHAKTFJHGDGVRY-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-079964
CC(C)[C@@H](NC(=O)Nc1cccc(C#N)c1)c1nnc2n1CCC2	PC-id_95319089,ZINC22_69706366	324.38	YGGYULKFDDMBFX-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079965
CC(C)[C@H](NC(=O)Nc1cccc(C#N)c1)c1nnc2n1CCC2	ZINC22_69706362,PC-id_95319088	324.38	YGGYULKFDDMBFX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079966
N#Cc1cccc(c1)NC(=O)NC(c1nnc2n1CCC2)C(C)C	MCULE-1347292915,EMOLS-id_36704500,PC-id_53597859	324.38	YGGYULKFDDMBFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079967
O=C(Nc1n(C)nc2c1CCC2)Cn1ccc(n1)c1ccn(c1)C	PC-id_31043173,CoCoCo_1390823,EMOLS-id_232746606,MCULE-9600200604	324.38	NJKRDRLTWCLBAS-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-079968
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1cnn(c1)CC	EMOLS-id_99664946	324.382	KXWKRPHFPPTFBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079969
Cc1ccnc(c1)c1n[nH]c(n1)C(NC1CC(n2c1ncn2)C)C	EMOLS-id_258183870	324.384	LRPSWRNGFLBTAR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-079970
CC(c1sc2c(n1)CCC2)NCC(c1c(F)cccc1F)O	PC-id_110017301	324.389	SCTXMQQJRCPCTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079971
Fc1ccc(c(c1)F)C(CNCc1sc2c(n1)CCC2)(O)C	PC-id_109948590	324.389	NYGQVQYKIYDPIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079972
OC(c1ccc(c(c1)F)F)C(NCc1sc2c(n1)CCC2)C	PC-id_109948692	324.389	HJCIUURDPJHSJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079973
C[C@H](NCc1nnc2n1CCC2)c1ccc(SC(F)F)cc1	PC-id_97229692,ZINC22_95419883	324.392	YAVGKDVKCSYGMR-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-079974
C[C@@H](NCc1nnc2n1CCC2)c1ccc(SC(F)F)cc1	PC-id_97229693,ZINC22_95419884	324.392	YAVGKDVKCSYGMR-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079975
FC(Sc1ccc(cc1)C(NCc1nnc2n1CCC2)C)F	EMOLS-id_48266047,PC-id_75382593,MCULE-5885090475	324.392	YAVGKDVKCSYGMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-079976
c1(c2CCCc2sc1NC(=O)CC)C(=O)NC(CC)C(=O)O	MCULE-4088825796,PC-id_82033591	324.395	MDHCHAVNIQPPTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079977
c1(NC(=O)CN2CCOCC2)sc2c(CCC2)c1C(=O)OC	PC-id_22197602,CoCoCo_6880317,ZINC22_19796794,EMOLS-id_4270862,MCULE-3130012796,SPECS-id_AF-399/15336049	324.395	SHRUEGWNBHWTNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079978
c1(NC(=O)C(=O)NCCC(C)C)sc2c(CCC2)c1C(=O)O	ZINC22_6760828,EMOLS-id_4752699,STOCK6S-18508,MCULE-9128757300,CoCoCo_6534135,PC-id_8073328	324.395	JSKBSOCGWHWYEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079979
c1(NC(=O)C(=O)NCC(C)C)sc2c(CCC2)c1C(=O)OC	STOCK6S-08329,EMOLS-id_4737152,MCULE-9537348871,ZINC22_6669430,PC-id_8034539	324.395	FUKXBTXOWBEHHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079980
CC(C)CC(=O)Nc1sc2c(c1C(=O)OCC(=O)N)CCC2	ZINC22_9883551,EMOLS-id_3703058,MCULE-7408225414,PC-id_16369571,CoCoCo_2898488	324.395	ZJTVYVFTHHCTEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079981
CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-9502265401,EMOLS-id_31833169,PC-id_3279458,ZINC22_4581384	324.395	GDPUJDZGXGAVLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079982
CCOC(=O)c1c(NC(=O)C2CC(O)CN2)sc2CCCc12	EMOLS-id_328006567,MCULE-7231329585	324.395	CBSVTEREVPMZGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079983
CCOC(=O)c1c(NC(=O)CCNC(=O)C)sc2CCCc12	MCULE-4463980220,EMOLS-id_328029076	324.395	PTBIBDOTUWNFHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079984
CCOC(=O)c1c(NC(=O)N2CCOCC2)sc2c1CCC2	CHEMBL4574284	324.395	PRCBHMXQNDSKGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079985
CCOC(=O)NC(=O)CN(C(=O)c1sc2c(c1)CCC2)CC	PC-id_9171145,CoCoCo_3640055	324.395	UWKHVAKJEXJBCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079986
CC(=O)NCCN(C(=O)c1sc2c(c1)CCC2)C(C(=O)O)C	PC-id_120287904,MCULE-9070894739,EMOLS-id_72116951	324.395	NUCAAABIESVELW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079987
OC[C@@H]1COCCN1C(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319211184	324.395	DYUOMOWFKWRYOJ-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-079988
OCCNC(=O)C=C1CSc2n1cc(c2C(=O)OC(C)C)C	PC-id_139819456	324.395	XPBAFMPDJKIHJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-079989
O=C(N[C@@H]1C[C@H]([C@H](C1)O)O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318915929	324.395	ICDCQUOARMIPIS-RTCCRHLQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079990
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NCC(C)C	PC-id_4371000	324.395	ZXJXZLGJXDXNAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079991
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NC(CC)C	PC-id_78514122	324.395	FUXVQWVENHBCBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079992
s1c2CCCc2cc1C(=O)OC(C(=O)NC(=O)NC(C)C)C	PC-id_78674917	324.395	HPPKFHIBQHGCKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079993
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NCCCC	PC-id_8358980	324.395	JHBUUZHRRFGMET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079994
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)N[C@@H](CC)C	PC-id_7623892	324.395	FUXVQWVENHBCBM-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079995
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)N[C@H](CC)C	PC-id_7623893	324.395	FUXVQWVENHBCBM-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-079996
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NC(=O)NC(C)C)C	PC-id_8359548	324.395	HPPKFHIBQHGCKV-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079997
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NC(=O)NC(C)C)C	PC-id_8359556	324.395	HPPKFHIBQHGCKV-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-079998
s1c2c(CCC2)c(c1NC(=O)CCCC)C(=O)NC(=O)OC	PC-id_7521465	324.395	LYNUGGRPAQAKDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-079999
s1c2c(CCC2)c(c1NC(=O)C(C)(C)C)C(=O)NC(=O)OC	PC-id_7521466	324.395	GSCOITHIDBXUMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080000
s1c2c(CCC2)c(c1NC(=O)CCC)C(=O)NCCC(=O)O	PC-id_82033593	324.395	HKBWKPKRPSGWSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080001
s1c2c(CCC2)c(c1NC(=O)C(C)C)C(=O)NCCC(=O)O	PC-id_82033597	324.395	SCBGBZKGVMSOGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080002
s1c2c(CCC2)c(c1NC(=O)C(C)C)C(=O)NC(=O)OCC	PC-id_7521541	324.395	BAYSOJRGAGSGJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080003
s1c2c(CCC2)c(c1NC(=O)CCC)C(=O)NC(=O)OCC	PC-id_7521554	324.395	OHJBOHFFWDQNLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080004
s1c2c(CCC2)c(c1NC(=O)CC)C(=O)NCCCC(=O)O	PC-id_82033588	324.395	QNKKLWSNJBYLNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080005
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(C(C)C)C(=O)O	PC-id_82033579	324.395	GCLXFFWYEIXJIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080006
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(CCC)C(=O)O	PC-id_82033581	324.395	OLBGWFOXXKDQLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080007
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCC)C(=O)N	PC-id_3925446	324.395	QTBFLWFQQLMFFY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080008
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C#N	MCULE-6191558961,PC-id_924831	324.397	XGUPEYZMMMOQNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080009
c1(NC(=O)C=Cc2cccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-8101214403	324.397	OISTXOJGJNBEBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080010
c1(NC(=O)CCC(=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_182637124,MCULE-5171961224,PC-id_108807370	324.397	BHUGAXGKSQYAOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080011
CNC(=O)C1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9458958,PC-id_19759898	324.397	PPQVMZRDXGXKRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080012
COc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_322616160	324.397	OISTXOJGJNBEBS-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080013
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_322616417	324.397	XGUPEYZMMMOQNC-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080014
s1c2CCCc2cc1C(=O)OCc1cn(nc1)c1ccccc1	PC-id_24577072	324.397	LUCIFIUPGFZBCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080015
c1(NC(=O)C2CC2)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862216,EMOLS-id_24913229,ZINC22_23138892,CoCoCo_5277547,MCULE-8943090691	324.399	RQGACEHFEVKYFD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-080016
c1(NC(=O)C(=O)NCCN(C)C)sc2c(CCC2)c1C(=O)N	MCULE-3267858522,STOCK6S-10918,PC-id_8057197,EMOLS-id_4740995,ZINC22_6719825	324.399	DBNZNJCJIGGHBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080017
Cc1onc(c1C(NS(=O)(=O)c1cnc2n1CCC2)(C)C)C	EMOLS-id_98568744	324.399	QREQTVWDSMLANF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080018
COC(=O)c1c(NC(=O)N2CCSCCC2)nc2n1CCC2	EMOLS-id_319155468	324.399	LZGZXXSBDMIMCQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-080019
COC(=O)c1c(NC(=O)NC2CSC2(C)C)nc2n1CCC2	EMOLS-id_319276633	324.399	TXTNCMRDSDEATP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-080020
COC(=O)c1c(NC(=O)NCC2CSCC2)nc2n1CCC2	EMOLS-id_319590318	324.399	OVYUCURVJFKSNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080021
CSC1CCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319348418	324.399	PCSNBIRXAJZFCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080022
s1c2CCCc2nc1NS(=O)(=O)c1cc(C(O)C)ccc1	PC-id_61509885	324.418	TXUJUWJCNMGGIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080087
O=C1CC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)[C@H](C2CC2)N1	EMOLS-id_316135373,ZINC22_551575812,MCULE-6980405762	324.399	NYARVWYIFJFIDC-YGRLFVJLSA-N	00100010100010000001100010000000000000000000000000000000	25-01-080023
O=C1CC(CN1C1CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100209286	324.399	NBZNLEOMMZDTRO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-080024
O=C1CC(CN1C1CC1)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318948747	324.399	VJBUOMJEFYCCFN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-080025
O=C1CCCN1C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100386655	324.399	NNVLOLMTNDGXTR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-080026
O=C(C1CCCN1S(=O)(=O)c1cnc2n1CCC2)NC1CC1	EMOLS-id_100177964	324.399	PIOFREWGSPBRDA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-080027
O=C(N1CC(C1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)C1CCCC1	MCULE-7126085423,EMOLS-id_316457239	324.399	GXVNZSGSPDWWOY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-080028
O=C(N1CC(C1)S(=O)(=O)N1CCn2c1ncc2)C1CCCC1	MCULE-9842829371,EMOLS-id_316432493	324.399	CQVVNNQNRUUESK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-080029
S1Cc2c(nn(c2NC(=O)C=CC)CC(=O)NCCOC)C1	PC-id_44052981	324.399	NHBRRFMZTJPUEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080030
S1Cc2c(nn(c2NC(=O)C)CC(=O)NCC2OCCC2)C1	PC-id_44053055	324.399	RAMIRXNDFJCTCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080031
c1(cnn(c2ccccc2)c1C)C(=O)Nc1sc2c(CCC2)n1	STOCK7S-26940,EMOLS-id_46566695,PC-id_60179675,ZINC22_53694115,MCULE-8820314447,EMOLS-id_43036475	324.4	KPSVLBYEXQQINS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080032
c1(C(=O)Nc2sc3c(CCC3)n2)cc(nn1C)c1ccccc1	MCULE-7179822026,EMOLS-id_323277276	324.4	BFNHJWOREGVUMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080033
c1(C(=O)NCc2cccc(c2)c2sccn2)c2CCCc2[nH]n1	MCULE-9761648543,EMOLS-id_323257524	324.4	ZPVKTYJBBJGOLU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080034
c1(NC(=O)c2ccc(cc2)n2cccc2)n(C)nc2CSCc12	MCULE-3481169347,EMOLS-id_334564543	324.4	ZMFIIMYBBMQENU-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-080035
Cc1nccn1c1ncccc1NC(=O)c1cc2c(s1)CCC2	MCULE-3989637911,EMOLS-id_48221480,PC-id_75417131,ZINC22_57222129	324.4	DJNXWSNJQKMSCL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080036
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1nncs1	EMOLS-id_328223348,MCULE-5736278717	324.4	ZRQRGRJHKSZPSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080037
N#Cc1c(NC(=O)c2ccc(cc2)C2CCC2)nc2n1CCS2	EMOLS-id_100509287	324.4	GHSPSXOOZGFVGU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-080038
O=C(c1cccs1)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2914598,PC-id_11472791	324.4	UMJGALAMUCNERU-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-080039
O=C(c1cscc1)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2919251,PC-id_68440866	324.4	ZBNAAPHJTLNQCH-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-080040
O=C(c1sc2c(c1)CCC2)Nc1ccc(nc1)n1ccnc1C	PC-id_86992323	324.4	ZKWMHFFLXSHVQN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080041
O=C(Cc1cnn(c2ccccc2)c1)Nc1nc2c(s1)CCC2	ZINC22_25769337,EMOLS-id_44050835,PC-id_33041043,MCULE-4585952844	324.4	IWNDTXUMPBEIFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080042
O=C(Nc1ccn(Cc2ccncc2)n1)c1cc2c(s1)CCC2	EMOLS-id_35750473,MCULE-5772079836,ZINC22_65625214,PC-id_53553264	324.4	ZSLGFEFDEQCSDO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080043
O=C(Nc1ccnn1Cc1ccccn1)c1cc2c(s1)CCC2	ZINC22_8185300,MCULE-5665517111,EMOLS-id_3676254,PC-id_9319063,CoCoCo_3671998	324.4	VLKNONRXIMCHHZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080044
O=C(Nc1nc2c(s1)CCC2)c1cccn1Cc1ccncc1	MCULE-2098221188,EMOLS-id_316843837,ZINC22_726981097	324.4	MZZXNRNDVNZCNU-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-080045
O=C(Nc1nc2c(s1)CCC2)c1cnn(Cc2ccccc2)c1	ZINC22_25768740,EMOLS-id_29661829,CoCoCo_4164354,PC-id_33040428,MCULE-1004123297	324.4	KDJPNUGVHGROIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080046
O=C(NCc1cc2c(s1)CCC2)c1ccnc(n2ccnc2)c1	EMOLS-id_48781038,PC-id_51095887,MCULE-1463115940,ZINC22_58329235	324.4	VKERPGSWBTYIIV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080047
O=C(NCc1ccnc(n2cccn2)c1)c1cc2c(s1)CCC2	PC-id_71897317,EMOLS-id_44527266,ZINC22_84615312,MCULE-9719319806	324.4	GIQSROLTGBPPNZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080048
s1c2CCCc2nc1NC(=O)c1ccc(Cn2nccc2)cc1	PC-id_33040990	324.4	RSMQBSIXTYSVRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080049
s1c2CCCc2nc1NC(=O)c1ccc(n2nccc2C)cc1	PC-id_33040416	324.4	AVSAZWPYWOGJJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080050
s1c(C(=O)NCc2n3CCCc3nn2)c(c2ccccc2)cc1	PC-id_52179122	324.4	YJAZMLZHRCRZDG-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-080051
CC(c1nnc2n1CCC2)NS(=O)(=O)c1c(C)nn(c1C)C	EMOLS-id_110758448	324.402	MEQZDFCHYOCRHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080052
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)C1CCC1	MCULE-6228391301,EMOLS-id_330969266	324.417	GYVHCJANHSQCRB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-080053
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccccc1C1CC1	EMOLS-id_330975675,MCULE-7837916936	324.417	KAZWWZASGFKULO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080054
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(c1)C1CC1	MCULE-4101757315,EMOLS-id_330973626	324.417	ITMLWXJLVUZYCH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080055
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C1CC1	MCULE-8998099942,EMOLS-id_330975415	324.417	PUVSWMWOPZMHQK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080056
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(c2)C2CC2)n1	MCULE-1465571564,EMOLS-id_330999793	324.417	JLVCWMOLMYLZGC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080057
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2C2CC2)n1	MCULE-4174888328,EMOLS-id_331000560	324.417	PLMFLDFJFCWTIA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080058
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1C1CC1	EMOLS-id_330981307,MCULE-3836512573	324.417	MMJITXYGPUMCTD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080059
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(c1)C1CC1	MCULE-8295506113,EMOLS-id_330980540	324.417	MZCPQVASTMQRJY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080060
CCc1ccc(cc1)C1NCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_318674137,MCULE-2227757350	324.417	WVJBZQQXWPVAKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080061
CN(C(=O)c1occ2c1CCC2)C1CCCN(C1)c1ccccc1	MCULE-9718025112,EMOLS-id_177203286	324.417	PIUPAMAVWWKERF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-080062
CN(C(=O)c1occ2c1CCC2)[C@H]1CCCN(c2ccccc2)C1	ZINC22_353084174	324.417	PIUPAMAVWWKERF-KRWDZBQOSA-N	00000010100010110000100010000000000000000000000000000000	25-01-080063
CN(C(=O)c1occ2c1CCC2)[C@@H]1CCCN(c2ccccc2)C1	ZINC22_353084175	324.417	PIUPAMAVWWKERF-QGZVFWFLSA-N	00000010100010110000100010000000000000000000000000000000	25-01-080064
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC(CC1)O	EMOLS-id_328339102,MCULE-3385722026	324.417	QETHGDVLXMDPHY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-080065
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC1CCCO1	MCULE-3915972983,EMOLS-id_328209791	324.417	KBOYVRLVNIQXPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080066
O=C(c1occ2c1CCC2)NC1(C)CCN(C1)Cc1ccccc1	EMOLS-id_318524492	324.417	CWQPQGDSMPYIPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080067
c1(NC(=O)CS(=O)C(C)C(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_320643316,MCULE-5396634723	324.418	SEIOFOYGHGVEPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080068
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCC(=O)C	MCULE-2323341980,EMOLS-id_186653276	324.418	KHWZYJZCTRUFKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080069
CCOc1ccc(cc1)S(=O)(=O)Nc1nc2CCCc2s1	EMOLS-id_181478297,PC-id_84563753,MCULE-6324635157	324.418	URLBKJFVLFENDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080070
COc1ccc(cc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318504916	324.418	FMVJNYQVGIORFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080071
COc1ccc(C)cc1S(=O)(=O)Nc1nc2CCCc2s1	PC-id_84563246,EMOLS-id_181478072,MCULE-8864564690	324.418	UIKBHSMFTJMVJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080072
COc1snc(c1CNC(=O)c1cc2c(s1)CCC2)OC	EMOLS-id_319165053	324.418	ZNVPRIUYVJTODD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080073
OCc1cccc(c1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977976	324.418	VJTVVYFSOIMJBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080074
OCc1cc(ccc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978025	324.418	PLXLJXNPPOEVBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080075
OCc1cccc(c1)CS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978054	324.418	ULBRCHMEFFCYJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080076
OCc1ccc(cc1)CS(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978055	324.418	VGLCYDNPAGMDBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080077
OCc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_105977979	324.418	NVPVWWYFQVZXLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080078
OCCc1ccc(cc1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977981	324.418	IYBXPFAIMLOWDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080079
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(N)c(O)cc1	PC-id_61208929	324.418	PDSFHJNEURDBTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080080
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCOCC1)C)C(=O)N	PC-id_9276000	324.418	DBZKFAPYFBRTOM-VIFPVBQESA-O	00000010100010000001000010000000000000000000000000000000	25-01-080081
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCOCC1)C)C(=O)N	PC-id_9276003	324.418	DBZKFAPYFBRTOM-SECBINFHSA-O	00000010100010000001000010000000000000000000000000000000	25-01-080082
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCOCC1)C)C(=O)N	PC-id_84968991	324.418	DBZKFAPYFBRTOM-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-080083
s1c2CCCc2c(c1NC(=O)CSCCC(=O)OC)C#N	PC-id_8766170	324.418	AOOAQOVFAPSSRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080084
s1c2CCCc2c(c1NC(=O)CSCC(=O)OCC)C#N	PC-id_4614588	324.418	SQTMHTORYHHKQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080085
s1c2CCCc2nc1NS(=O)(=O)c1ccc(C(O)C)cc1	PC-id_61509886	324.418	FJBODXFXRLQIRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080086
S1Cc2c(nn(C(C)C)c2OS(=O)(=O)c2ccccc2)C1	PC-id_59050212	324.418	FULHLLQSCLTHJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080088
S(=O)(=O)(c1ccc(cc1)OCC)Nc1snc2CCCc12	MCULE-9416760316,PC-id_54774348	324.418	AFLQYOKKTNWANK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080089
CCCOCn1nc2c(c1N)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_68027866,SCHEMBL10076760	324.419	ZZDZZAHODOFOCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080090
CCCOCn1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)N	PC-id_69758695,SCHEMBL6377226	324.419	KJKVZYMBNHJJSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080091
C1CCC(C1)C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_90852850	324.42	ICUQVXBVYOLTFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080092
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)c1cccc(C)c1C	MCULE-8609921658,EMOLS-id_321297366	324.42	ATRAOMGPIGGJEK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080093
c1(CN(C2CCCC2)C(=O)c2cccnc2)c2CCCc2n(C)n1	EMOLS-id_50145344,PC-id_86266588,MCULE-1114016556	324.42	QQUJMKBNXUEMSG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080094
c1(C(=O)N2CCN(CC2)c2cccc(C)c2)c2CCCc2n(C)n1	MCULE-2374227171,PC-id_110389037,EMOLS-id_179745175	324.42	AYTILDKYHCQJDZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080095
c1(C(=O)N2CCN(CC2)Cc2ccccc2)c2CCCc2n(C)n1	PC-id_110389024,MCULE-2537884620,EMOLS-id_179745136	324.42	PEWFOYUKIBLDNB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080096
c1(C(=O)N2CCN(CC2)Cc2ccc(cc2)C)c2CCCc2[nH]n1	MCULE-1170481473,EMOLS-id_334797612	324.42	ACBUJUSZNWQAAT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080097
c1(C(=O)N2CCN(CC2)Cc2cccc(C)c2)c2CCCc2[nH]n1	MCULE-5758172753,EMOLS-id_334811685	324.42	CXAVMIQVYSXQGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080098
c1(C(=O)Nc2ccc(cc2)N2CCCCC2)c2CCCc2n(C)n1	MCULE-5365558490,EMOLS-id_179745424,PC-id_110389120	324.42	WUTFENMRMCLZGY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080099
c1(C(=O)Nc2ccc(cc2)N2CCC(CC2)C)c2CCCc2[nH]n1	MCULE-8275618264,PC-id_110388936,EMOLS-id_179744876	324.42	HTPJLOPZQIIZAU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080100
c1(C(=O)Nc2ccc(cc2)N2CCC(C)CC2)cn2c(CCC2)n1	MCULE-8517457455,EMOLS-id_321296348	324.42	UTVFAKGEGWHGIS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080101
Cc1ccc(cc1)C1(CCC1)C(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_317994150	324.42	FZXLVWCCWBDASU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-080102
Cc1cccc(c1)C1(CCC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318202824	324.42	CWNRZYRLUMWXQZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-080103
Cc1ccc(cc1)C1(CCC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318367677	324.42	RDECCPPHIAMJKH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-080104
Cc1ccc(cc1)C1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436597	324.42	WKLDGEYZYUVNCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080105
Cc1cccc(c1)C1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436627	324.42	ZNWJIFBMRDOHLK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080106
Cc1cccc(c1)C1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420382	324.42	WYLXXOIIBGIXKK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080107
Cc1ccc(cc1)CN1CCC(C1=O)NC1CC(n2c1ncc2)C	EMOLS-id_318237904,MCULE-3842179266	324.42	RAFZUULCZXTMHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080108
Cc1ccccc1CN1CCN(CC1)C(=O)c1n[nH]c2CCCc12	MCULE-7943379608,EMOLS-id_98331846	324.42	FKWNMCLFFKTUOA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080109
Cc1ccc(cc1)CN(C(=O)NC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_318540293	324.42	YWYGAGWCSBUOHW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-080110
Cc1ccc(cc1C(=O)N1CCCCC1)NC1CCn2c1ncc2	MCULE-3335878422,EMOLS-id_318231971	324.42	DLZXGMUUFPWKRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080111
Cc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)N1CCCC1	EMOLS-id_318885048	324.42	UOBMIUIHMHFSFD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080112
Cc1ccc(cc1)N1CCC(C1=O)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318722661,MCULE-1284239368	324.42	INZRUVRYGBRFRL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080113
Cc1ccc(cc1)N1CCCC(C1=O)NC1CC(n2c1ncc2)C	EMOLS-id_318754528,MCULE-6421396766	324.42	YNLZPOATANNKEH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080114
Cc1ccc(cc1)N1CCCC(C1=O)NCc1cnc2n1CCC2	EMOLS-id_318569708,MCULE-2941125252	324.42	VUABEQCXAKNMMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080115
Cc1ccc(c(c1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_111604100	324.42	LCJOIUHGYDZGQQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080116
Cc1cccc(c1)NC1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_318309476,MCULE-2035441608	324.42	SDEMYJSTGWOHLS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080117
Cc1cccc(c1)NC1CCN(CC1)C(=O)c1cnn2c1CCC2	MCULE-2528595805,EMOLS-id_318329662	324.42	DAWLHHVDLBURND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080118
Cc1cccc(c1)NC1CCN(CC1)C(=O)c1nn2c(c1)CCC2	MCULE-5854145896,EMOLS-id_318329918	324.42	VGWHZBQEKMZZQH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080119
Cc1cccc(C2(C(=O)NCc3nnc4n3CCC4)CCCC2)c1	MCULE-4411955479,EMOLS-id_36315718,ZINC22_69350018,PC-id_53555402	324.42	QQPDJLCVUTXKFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080120
Cc1cc(C)cc(c1)C1(CC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318464556	324.42	DWMMAJZJWKWIOC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080121
Cc1cccc(N2CCN(CC2)C(=O)c2n[nH]c3CCCc23)c1C	MCULE-9943811958,EMOLS-id_110313107,PC-id_110388856	324.42	XMPWKNJRCJZODM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080122
CC1C(CCN1Cc1ccccc1)NC(=O)c1nn2c(c1)CCC2	MCULE-1887946602,EMOLS-id_316160808	324.42	JUZMKWIODYFGFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080123
CC1CC(CN1C(=O)NC1CC(n2c1ncc2)C)c1ccccc1	EMOLS-id_101415714	324.42	BWCQVBORFZLQJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080124
Cc1cc(CN2Cc3c(C2)[nH]nc3C(=O)N2CCCC2)cc(c1)C	PC-id_97461975	324.42	JQBBILOZNGRKDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080125
CC1CC(C(=O)N1c1ccccc1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318029203,MCULE-8643358997	324.42	HIAZOLIQEIFFPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080126
CC1CCN(CC1)c1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99528759	324.42	QRZJPRIVUJHQSW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080127
CC1CN(C(C1)c1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422854	324.42	FUPXFLVLDYDHRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080128
CC(c1cc2n(n1)CCC2)Nc1cccc(c1)N1CCCCC1=O	MCULE-1070090941,EMOLS-id_318367560	324.42	YAEQBSRZPXYVPB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080129
CCc1ccc(cc1)C1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319478388	324.42	YGUUMNOUVBDMHT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080130
CCc1ccc(cc1)C1CNCCN1C(=O)c1cnc2n1CCC2	MCULE-3431796225,EMOLS-id_318055357	324.42	LEDWJGPRZMTHDR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080131
CCc1ccc(cc1)C1CNCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_318195923,MCULE-8398385405	324.42	FOVUJJOLHYOBQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080132
CCc1ccc(cc1)C1CNCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-5059567180,EMOLS-id_302504555,PC-id_120741381	324.42	LPTZZLNYYNYKGZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080133
CCc1ccc(cc1)C1NCCN(C1)C(=O)c1cnc2n1CCC2	EMOLS-id_318492398,MCULE-9280943058	324.42	AOBWFIAOSYKKSP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080134
CCc1ccc(cc1)C1NCCN(C1)C(=O)c1cnn2c1CCC2	MCULE-4687377882,EMOLS-id_318638934	324.42	JUQWEFYKGAKPFM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080135
CCc1ccc(cc1)C1NCCN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_318584257,MCULE-3333997791	324.42	XTZIRMOKXSVGCZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080136
CC(c1cccc(c1)N1CCCC1=O)NCc1cnc2n1CCC2	EMOLS-id_318229181	324.42	VZBNMFJAACMBCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080137
CCC1CN(CCN1C(=O)c1nn2c(c1)CCC2)c1ccccc1	MCULE-1156247720,PC-id_136546031,EMOLS-id_316873583	324.42	WMNZDUUQBMZWBK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080138
CC(=CC(=O)N(Cc1nnc2n1CCC2)C)CCc1ccccc1	MCULE-5470912155,PC-id_72149823,EMOLS-id_36295547	324.42	LFKIDCXLFDCIIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080139
C/C(=CC(=O)N(C)Cc1nnc2n1CCC2)/CCc1ccccc1	PC-id_98472649,ZINC22_103760735	324.42	LFKIDCXLFDCIIF-FYWRMAATSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080140
CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc2n(n1)CCC2	ZINC22_450631131	324.42	WMNZDUUQBMZWBK-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080141
CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc2n(n1)CCC2	ZINC22_450631132	324.42	WMNZDUUQBMZWBK-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080142
C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCC3)CCN1Cc1ccccc1	ZINC22_295296334	324.42	JUZMKWIODYFGFN-PBHICJAKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080143
C[C@@H]1[C@H](NC(=O)c2cc3n(n2)CCC3)CCN1Cc1ccccc1	ZINC22_295296335	324.42	JUZMKWIODYFGFN-RHSMWYFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080144
C[C@H]1[C@H](NC(=O)c2cc3n(n2)CCC3)CCN1Cc1ccccc1	ZINC22_295296336	324.42	JUZMKWIODYFGFN-WMLDXEAASA-N	00000010100000110001000010000000000000000000000000000000	25-01-080145
C[C@H]1[C@@H](NC(=O)c2cc3n(n2)CCC3)CCN1Cc1ccccc1	ZINC22_295296337	324.42	JUZMKWIODYFGFN-YOEHRIQHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080146
C[C@@H]1CN(CCN1C(=O)c1n[nH]c2c1CCC2)Cc1ccccc1	EMOLS-id_98934390	324.42	RLFOBZKFJWMDED-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080147
CN1C[C@@H]([C@H](C1)c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319063456	324.42	MTVVWXGRFYVRMP-SJORKVTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-080148
Cn1nc(c2c1CN(C2)C(=O)c1ccccc1)CN1CCCCC1	PC-id_97405333	324.42	PDDSYLQLUSYFRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080149
Cn1ncc2c1CN(C(=O)c1ccc(CN3CCCCC3)cc1)C2	EMOLS-id_316995077,MCULE-7479921617,ZINC22_623234130,PC-id_136554547	324.42	ZCNVYNSFDPSMIZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080150
Cn1nc(Cn2cccc2)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2	ZINC22_1565554567	324.42	APBHSSNQOVDMLZ-LJQANCHMSA-N	00000010110011000001000010000000000000000000000000000000	25-01-080151
Cn1nc(Cn2cccc2)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2	ZINC22_1614936546	324.42	APBHSSNQOVDMLZ-IBGZPJMESA-N	00000010110011000001000010000000000000000000000000000000	25-01-080152
Cn1nc(Cn2cccc2)c2CN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313736407	324.42	APBHSSNQOVDMLZ-UHFFFAOYSA-N	00000010110011000001000010000000000000000000000000000000	25-01-080153
CN(c1ccccc1NC(=O)c1n[nH]c2c1CCC2)C1CCCC1	EMOLS-id_100197705	324.42	MVCMBRWIEATKDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080154
Nc1ncc(c(c1)C)C1CCN(CC1)C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_319904996,MCULE-9867512031	324.42	ZCILNOAZZPKHNQ-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-080155
NCC1(CCN(CC1)C(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_318805531,MCULE-9937330122	324.42	JOHMHMIHFRNILK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080156
NCC1(CCN(CC1)C(=O)c1cnn2c1CCC2)c1ccccc1	EMOLS-id_318518341,MCULE-8226230541	324.42	GFRMWTFHXWKURL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080157
O=C1CCCCN1c1ccc(cc1)C(NC1CCn2c1ncc2)C	MCULE-5154772497,EMOLS-id_318515857	324.42	QUVOUJXJDWTLTC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080158
O=C1C(CCCN1c1ccccc1C)NC1CC(n2c1ncc2)C	MCULE-8207449220,EMOLS-id_318703734	324.42	OULNQIIMRAACJQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080159
O=C1C(CCCN1c1ccccc1C)NCc1cnc2n1CCC2	MCULE-6982636685,EMOLS-id_318487698	324.42	CSAJIVQPCZOGSC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080160
O=C1C(CCCN1Cc1ccccc1)NC1CC(n2c1ncc2)C	MCULE-4088723346,EMOLS-id_318454234	324.42	OODZGLMNJQGDAI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080161
O=C1CCCN1c1cccc(c1)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318181239,MCULE-5338018202	324.42	KNQHOOAKQCPPNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080162
O=C1CCCN1c1ccc(cc1)C(NC1CC(n2c1ncc2)C)C	MCULE-4704757666,EMOLS-id_318584786	324.42	QNMOHNJUDAGCJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080163
O=C1CCCN1c1ccc(cc1C)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318530688,MCULE-3290299486	324.42	AIQVCJYFFAMKGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080164
O=C1CCCN1CC(c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318158673	324.42	IQNIANDLZDBPQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080165
O=C1CCCN1CC(c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318392072	324.42	NUOIMQZEHUIOEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080166
O=C(c1c2c(CCC2)[nH]n1)NC1CCN(Cc2ccccc2)CC1	PC-id_136577042,MCULE-4760669840,EMOLS-id_316807279,ZINC22_119861383	324.42	GGNSRARAIWFZIP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080167
O=C(C1(CC1)c1ccc(cc1)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_318864617	324.42	NFJICJAUJAZVDJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080168
O=C(C1(CC1(C)C)c1ccccc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318607440	324.42	ZVZPXXSLPIMANK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080169
O=C(c1cc2n(n1)CCC2)N1CCN(CCc2ccccc2)CC1	MCULE-6324108422,PC-id_136545612,EMOLS-id_316905310,ZINC22_294261044	324.42	DJRCBDAGDYDWEA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080170
O=C(C1(CCC1)c1ccccc1C)NC(c1nnc2n1CCC2)C	EMOLS-id_318312451	324.42	JRPGUNDBWQPBDK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-080171
O=C(C1CCCC1)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68441240,SCHEMBL2920324	324.42	HMCPXPKVKKAVAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080172
O=C(C1CCCC1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2920328,PC-id_68441242	324.42	OMXZYJNAZWUFFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080173
O=C(c1ccc(cc1)CN1CCCC1)NCc1n[nH]c2c1CCC2	MCULE-1632118780,EMOLS-id_320050360	324.42	YCGLBSXCKWOIGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080174
O=C(c1ccc(cc1)CNC1CC(n2c1ncc2)C)N1CCCC1	MCULE-2966540438,EMOLS-id_318615809	324.42	RXPGWYCYUMUAOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080175
O=C(c1cccc(c1C)NC1CC(n2c1ncc2)C)N1CCCC1	MCULE-4796167472,EMOLS-id_318086397	324.42	YUYSLPKYGDJTJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080176
O=C(c1ccc(c(c1)C)NCc1cnc2n1CCC2)N1CCCC1	MCULE-2085944984,EMOLS-id_318392577	324.42	UNJODTCYOWIIHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080177
O=C(c1cccc(c1C)NCc1cnc2n1CCC2)N1CCCC1	MCULE-4348335952,EMOLS-id_318387723	324.42	HHXAVWNWAQFDFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080178
O=C(c1ccccc1)N1CCCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318554364,MCULE-4106926150	324.42	OIMXMJHOHDTZQE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080179
O=C(c1ccccc1)N1CCCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318497873,MCULE-4405694133	324.42	YZDXZYOEXOYOBS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080180
O=C(c1ccccc1NC1CCCCC1)N1Cc2c(C1)cnn2C	EMOLS-id_317985051,MCULE-3623697399	324.42	SBRVAOKSOIAJOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080181
O=C(c1cccc(c1)NC1CC(n2c1ncc2)C)N1CCCCC1	EMOLS-id_318011798,MCULE-7442576045	324.42	PYPRPBKEZDKMFG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080182
O=C(c1cccc(c1)NCc1cnc2n1CCC2)N1CCCCC1	MCULE-2135283510,EMOLS-id_318388489	324.42	PQCKBZDLHKZHRB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080183
O=C(C1CCN(C1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319590994	324.42	HOPRYJLFFQSZCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080184
O=C(c1cnc2n1CCC2)NC1CCN(CC1)Cc1ccccc1	EMOLS-id_318732298	324.42	WMRRXRJHVROKGE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080185
O=C(c1cnn2c1CCC2)Nc1ccccc1CN1CCCCC1	EMOLS-id_318692567	324.42	QGVKLFLZLODAKB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080186
O(C(c1nc2n(nc(n2)CCC)c1=C)CC)c1c(cc(cc1)C)C	PC-id_60065276	324.42	LOUBRVVGDVAXLD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-080187
O=C(C1NCc2c1c[nH]n2)NCC1(CCCC1)Cc1ccccc1	EMOLS-id_319328931	324.42	FSEBVGURMIRSIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080188
O=C(C1NCc2c1c[nH]n2)NCC1(CCCCC1)c1ccccc1	MCULE-8142244999,EMOLS-id_319912671	324.42	AFZPAUPEUUXLEA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080189
O=C(c1n(C)nc2c1CCC2)N1CCC[C@H]1CCc1ccccn1	EMOLS-id_318987393	324.42	HDQGEMKPAYGWOB-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080190
O=C(c1n(C)nc2c1CCC2)N1CCC[C@@H]1CCc1ccccn1	EMOLS-id_320035312,MCULE-3989048329	324.42	HDQGEMKPAYGWOB-OAHLLOKOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080191
O=C(c1n[nH]c2c1CCC2)Nc1cccc(c1)CN1CCCCC1	ASN-20306456	324.42	YCHLKEKZKMOUJV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080192
O=C(c1n[nH]c2c1CCC2)Nc1ccccc1N1CCCCCC1	EMOLS-id_98166925	324.42	GUDOMPDASUNBMI-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-080193
O=C(c1n[nH]c2c1CCC2)Nc1cccc(c1)N1CCCCCC1	EMOLS-id_99588233	324.42	UMWULKHQETUQEQ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-080194
O=C([C@@H]1CCCC[C@@H]1c1ccccc1)NCc1nnc2n1CCC2	EMOLS-id_318493468	324.42	GNZYVRVUPABQMV-HZPDHXFCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080195
O=C([C@H](NCc1cnc2n1CCC2)c1ccccc1)N1CCCC1	ZINC22_1875267219	324.42	QITZUXFJFBGJBN-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080196
O=C([C@@H](NCc1cnc2n1CCC2)c1ccccc1)N1CCCC1	ZINC22_1875267220	324.42	QITZUXFJFBGJBN-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080197
O=C(N1CCC(C1)c1ccccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101414197	324.42	BIVLQWYVOKHZBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080198
O=C(N1CCCC1c1ccccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101436624	324.42	QUQYCBGRJNYNLP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080199
O=C(N1CCC(C1C)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101417163	324.42	GIVZAQCISBRIDR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080200
O=C(N1CCCCC1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101574840	324.42	FQRBSRQLTJMEIA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080201
O=C(N1CCCC(C1)NC1CCn2c1ncc2)Cc1ccccc1	MCULE-7941814091,EMOLS-id_318499728	324.42	KBZDDPQZNAOZAN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080202
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccccn1	PC-id_92109858	324.42	MTAIKPZTCFILQC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080203
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccncc1	PC-id_92109855	324.42	UWZSWKNVUUJGPL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080204
O=C(N(CC1(CC1)c1ccccc1)C)NC1CC(n2c1ncc2)C	EMOLS-id_318559478	324.42	QPJFHVATUQPQJH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080205
O=C(N(CC1CCN(C1)c1ccccc1)C)c1n[nH]c2c1CCC2	PC-id_56717066	324.42	UWOOMROWPSVAFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080206
O=C(N(Cc1n2CCCc2nn1)C)/C=C(CCc1ccccc1)/C	PC-id_53558562	324.42	LFKIDCXLFDCIIF-SQFISAMPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080207
O=C(NCc1nnc2n1CCC2)c1ccc(C2CCCCC2)cc1	MCULE-9351417053,PC-id_45802298,CoCoCo_4474377,EMOLS-id_29985850,ZINC22_40480501	324.42	ADNKARLGRNTLDZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080208
Cc1nnc(SCC(=O)NCCc2nc3CCCc3s2)o1	EMOLS-id_316214584,MCULE-3129561827,ZINC22_1506409516	324.422	YMXHJZCGQZDWAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080209
CCNc1cccnc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_103305511	324.422	KGUWFVHPSAXPHJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080210
Cn1nc2c(c1NS(=O)(=O)c1cnc(s1)C1CC1)CCC2	EMOLS-id_318565957	324.422	ISEJLSQGKCVYPG-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-080211
Cn1nc(cc1S(=O)(=O)Nc1sc2c(n1)CCC2)C1CC1	EMOLS-id_318449139	324.422	LOEZZZTZVAKWRP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-080212
CNCc1ccc(nc1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053379	324.422	RVZZIRKTNAJDMH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080213
COc1cnc(NC(=O)NCCc2nc3c(s2)CCC3)s1	EMOLS-id_316306569,MCULE-4153532053,ZINC22_931283966	324.422	JGIBECLBUWZTCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080214
COc1nscc1NC(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318821548	324.422	BNACDEYOGBUKRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080215
COCCOCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020533	324.422	UWHNKFAGPQHCKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080216
NS(=O)(=O)c1nccc(c1)NCCc1sc2c(n1)CCC2	EMOLS-id_319160136	324.422	JTZGTISOUOYVFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080217
O=S(=O)(c1cnc2n1CCC2)Nc1scc(n1)C1CCC1	EMOLS-id_101153054	324.422	TYBSNIHPLBMCPZ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-080218
s1c2CCCc2nc1NS(=O)(=O)c1ccc(NCC)nc1	PC-id_62152037	324.422	AXJZKNOAMJNOHK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080219
s1c2CCCc2nc1NS(=O)(=O)c1cc(NCC)ncc1	PC-id_62152569	324.422	ZXSGXZVIDDAUEY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080220
s1c2CCCc2nc1NS(=O)(=O)c1c(NCC)ccnc1	PC-id_64278315	324.422	KTMOPRBFWHMZRH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080221
s1c2CCCc2nc1NS(=O)(=O)c1c(NCC)nccc1	PC-id_62152391	324.422	PADFSRWQIPWDBU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080222
S1c2n(CC1)cc(n2)CNS(=O)(=O)NCc1ccccc1	PC-id_56876229	324.422	UUGXCWVSKPOTNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080223
C1CCN(CC1)C(=NCc1nnc2n1CCC2)Nc1ccccc1	PC-id_111039257	324.423	UEIVGHBMGDHXDJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080224
Cc1nn2c(n1)C(=Nc1c(C)c(C)c(c(c1C)C)N(C)C)C(=N2)C	SCHEMBL10124886	324.423	DHHOLEHDJMFRBX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-080225
C=CC/N=C(/NCc1nnc2n1CCC2)N[C@@H](C)c1ccccc1	PC-id_95761113,ZINC22_72271861	324.423	HNTMONAOHYRCCC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080226
C=CC/N=C(/NCc1nnc2n1CCC2)N[C@H](C)c1ccccc1	ZINC22_72271862,PC-id_95761114	324.423	HNTMONAOHYRCCC-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080227
CN=C(N1CCC(C1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_111722919	324.423	FSQOFMWWXOWYDP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080228
CN=C(NCc1nnc2n1CCC2)NCC1(CC1)c1ccccc1	PC-id_111020571	324.423	WBWHEAYBUWIEDZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080229
n12CCCc1nnc2C/N=C(/NC(c1ccccc1)C)NCC=C	PC-id_75532608	324.423	HNTMONAOHYRCCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080230
N(c1c(c(c(/N=C/2c3n(N=C2C)nc(n3)C)c(c1C)C)C)C)(C)C	PC-id_20738806	324.423	DHHOLEHDJMFRBX-SILNSSARSA-N	00000011100000110001000010000000000000000000000000000000	25-01-080231
c12SCCn1cc(CNC(=O)CSc1[nH]nc(CC)n1)n2	ZINC22_55199813,MCULE-2419080411,EMOLS-id_32224584,PC-id_50963087	324.425	NHVMQRPHSZDNNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080232
c1(CN(C)C(=O)CSc2nnc(N)s2)c2CCCc2[nH]n1	PC-id_91773553,ZINC22_219817947,EMOLS-id_55641088,MCULE-3376578437	324.425	UDXCQNCPZOABAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080233
CC[C@@H](Sc1nc(=N)[nH][nH]1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_1875358907	324.425	NBRFNCAJSIHHCJ-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080234
CC[C@H](Sc1nc(=N)[nH][nH]1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_1875358908	324.425	NBRFNCAJSIHHCJ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080235
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388253,MCULE-3497076290	324.438	GSWZJKIFQIBBJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080236
c1(NC(=O)CCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390034,MCULE-7117150898	324.438	KVROLWHALBFUHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080237
c1(NC(=O)CN(CC)CC)sc2c(CCC2)c1C(=O)OCC	CHEMBL1341707,ChEMBL-DNDi_CHEMBL1341707,PC-id_2860266,ZINC22_4150898,CoCoCo_678296,MCULE-6881936817,EMOLS-id_2366807,TIMTEC117719	324.438	DDAPRYGZQUYYOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080238
CCC(C)(C)NCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_16351721,EMOLS-id_3695753,CoCoCo_3687886,MCULE-1914004725,ZINC22_9738766	324.438	QLZWGFOEYUVODO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080239
CCCCC(N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328003439,MCULE-6752758577	324.438	ZIQBIDYDOKXZQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080240
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CNC(C)(C)C	ZINC22_3684629,EMOLS-id_17159765,MCULE-4685395991,PC-id_24232103,CoCoCo_3566901	324.438	ZQGLOFDMZQALER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080241
CCOC(=O)c1c(NC(=O)CCCCCN)sc2CCCc12	EMOLS-id_327884616,MCULE-4769874487	324.438	SQYSRITWDPBCOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080242
CCOC(=O)c1c(NC(=O)[C@@H](N)C(C)CC)sc2CCCc12	EMOLS-id_327941140	324.438	QMKDKZORERWDQQ-NCWAPJAISA-N	00000010100000000000000010000000000000000000000000000000	25-01-080243
CCOC(=O)c1c(NC(=O)C(N)CC(C)C)sc2CCCc12	MCULE-1964037093,EMOLS-id_327834276	324.438	IZVGUHHBXKBZJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080244
COC1COCCC1CC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102183573	324.438	NDVNXUVAXNNPFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080245
COc1c(sc2c1CCC2)C(=O)NCCCN1CCOCC1	PC-id_91956565	324.438	FYWZWEKFYFLZMA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080246
CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCc1nc2CCCc2s1	PC-id_135102966,ZINC22_1704307048,MCULE-8545404097,EMOLS-id_317375596	324.438	RPQZCLYWCAZEHD-KGYLQXTDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080247
COC(=O)c1c(sc2c1CCC2)NCCCN1CCOCC1	PC-id_89816271	324.438	IKXXLVJLGRHNLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080248
n1c2CCCc2sc1CCNC(=O)COCC1CCCCO1	EMOLS-id_55689477,PC-id_91840943,MCULE-6882970634	324.438	SFCLXOUMLFZJFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080249
O=C(c1sc2c(c1)CCC2)NCC(CN1CCOCC1)(O)C	PC-id_111912113	324.438	CRWXWIKKHWULOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080250
OC(CN(C(=O)c1sc2c(c1)CCC2)C)CN1CCOCC1	PC-id_111912418	324.438	NNCFTVRCFRJRAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080251
O=C(COC[C@H]1CCCCO1)NCCc1nc2c(s1)CCC2	ZINC22_240936866	324.438	SFCLXOUMLFZJFM-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080252
O=C(COC[C@@H]1CCCCO1)NCCc1nc2c(s1)CCC2	ZINC22_240936867	324.438	SFCLXOUMLFZJFM-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080253
s1c2c(CCC2)c(c1NC(=O)CN(C(C)(C)C)CC)C(=O)O	PC-id_28866070	324.438	YZIQPZRMIMKAQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080254
s1c2c(CCC2)c(c1NC(=O)CN(CCC)CCC)C(=O)O	PC-id_28866113	324.438	AIVYWZCLTFKSDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080255
s1c2c(CCC2)c(c1NC(=O)CN(CCCC)CC)C(=O)O	PC-id_28866130	324.438	UCNSPXCKYQARKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080256
s1c2c(CCC2)c(c1NC(=O)C(NCCC)C)C(=O)OCC	PC-id_10758344	324.438	QTZDBKGMJPANPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080257
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	PC-id_924841,MCULE-2891249113,EMOLS-id_322626884	324.44	IOHUXXOQNGAZOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080258
c1(NC(=O)Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_322821158,PC-id_41362421,MCULE-9431204510	324.44	INUPCZKNBWDEGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080259
c1(NC(=O)CCc2ccc(cc2)CC)sc2c(CCC2)c1C#N	MCULE-3276635224,EMOLS-id_322820391	324.44	GZPUDTVHNSZIFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080260
c1(NC(=O)CCCc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_322821927,MCULE-2570385858	324.44	OHODUIHSKYARTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080261
CC(C)(C)c1cccc(c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2312961933,EMOLS-id_328178857	324.44	IPGIWESETGRURU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080262
CCNCC1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9711271,PC-id_19759884	324.44	SEENSJWWFLLQSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080263
CN(C[C@]1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	PC-id_18652238,SCHEMBL9711086	324.44	GYJQBZHKTBUCGU-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-080264
CN(CC1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	PC-id_19759876,SCHEMBL9459127	324.44	GYJQBZHKTBUCGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080265
CN(C[C@@]1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	SCHEMBL9711218,PC-id_18652235	324.44	GYJQBZHKTBUCGU-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080266
s1c2CCCc2cc1C(=O)N(c1cc(c(cc1)C)C)CCC#N	PC-id_78805756	324.44	MMKWEZJOLRWGSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080267
s1c2CCCc2c(c1N=Cc1c(OCC)c(cc(c1)C)C)C#N	PC-id_50886530	324.44	SPEUICSDAZCEAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080268
s1c2CCCc2c(c1NC(=O)Cc1c(cc(cc1C)C)C)C#N	PC-id_25906584	324.44	OKVMYAUHSBFDRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080269
c12SCCn1cc(CNC(=O)CC1OCCN(C(C)C)C1)n2	PC-id_74240235,EMOLS-id_49659578,MCULE-1406456127	324.442	XOIKJQZKOBMGTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080270
c1(NC(=O)C(=O)NCCCC)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617856,ZINC22_5438086,PC-id_7685460,CoCoCo_5184681,MCULE-3888458182,ChEMBL-DNDi_CHEMBLF2780-0687	324.442	NINYDSVZGSKVNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080271
c1(NC(=O)C(=O)NC(C)CC)c2CSCc2nn1C(C)(C)C	PC-id_44973980,EMOLS-id_28212445,MCULE-3894064941	324.442	HMCWSDJGDXBOCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080272
c1(NC(=O)C(=O)NCC(C)C)c2CSCc2nn1C(C)(C)C	PC-id_7685461,EMOLS-id_5617858,CoCoCo_5184682,MCULE-9423927474,ZINC22_5438087,ChEMBL-DNDi_CHEMBLF2780-0688	324.442	CAWJPSCAOMXQCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080273
CC1CC(CN1S(=O)(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_98568171	324.442	APZKDGOSVKFMPP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-080274
CC1C(CCN1S(=O)(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_98858600	324.442	MACIXEOXHMROQV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-080275
CC(C1OCCN(C1)C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_99859304	324.442	SEVLJRMHDYTEKQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080276
CC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	CoCoCo_5184683,ZINC22_5438089,PC-id_7685463	324.442	HMCWSDJGDXBOCI-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-080277
CC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	ZINC22_5438088,CoCoCo_5184684,PC-id_7685462	324.442	HMCWSDJGDXBOCI-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080278
CC(C)N1CCO[C@H](CC(=O)NCc2cn3c(n2)SCC3)C1	PC-id_97915337,ZINC22_97578953	324.442	XOIKJQZKOBMGTR-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080279
CC(C)N1CCO[C@@H](CC(=O)NCc2cn3c(n2)SCC3)C1	PC-id_97915338,ZINC22_97578956	324.442	XOIKJQZKOBMGTR-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080280
CN1CCOC(C1)CN(Cc1sc2c(n1)CCC2)CC(=O)N	EMOLS-id_316028450,MCULE-6455208050	324.442	VPXVVPFKJDUOAY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080281
CN1CCO[C@@H](CN(CC(=N)O)Cc2nc3c(s2)CCC3)C1	ZINC22_328650650	324.442	VPXVVPFKJDUOAY-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080282
CN1CCO[C@H](CN(CC(=N)O)Cc2nc3c(s2)CCC3)C1	ZINC22_328650651	324.442	VPXVVPFKJDUOAY-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-080283
Cn1nc2c(c1CN1CCN(S(=O)(=O)C3CC3)CC1)CCC2	EMOLS-id_323901692,ZINC22_895565049,MCULE-3190758135	324.442	NUPMRXSESZWHSE-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-080284
CN(CCNC(=O)c1cc2c(s1)CCN2C(=O)CN(C)C)C	PC-id_97407175	324.442	WXQDDXLIUFGXMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080285
CN(CC(=N)O)C[C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1	ZINC22_328629268	324.442	IBTQLVLORLEKBZ-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080286
CN(CC(=N)O)C[C@H]1CN(Cc2nc3c(s2)CCC3)CCO1	ZINC22_328629269	324.442	IBTQLVLORLEKBZ-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-080287
COC1CCN(C(C1)C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_97697292	324.442	QWTCXBONGZNETN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080288
COCCN1CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1	EMOLS-id_37017272,MCULE-4252398682,ZINC22_71793550,PC-id_56800997	324.442	DCCBTJVRZRJOMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080289
NC(=O)CN(CC1OCCN(C1)Cc1sc2c(n1)CCC2)C	EMOLS-id_316055097,MCULE-5205280635	324.442	IBTQLVLORLEKBZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080290
OCC1CCCN(C1C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_101701556	324.442	QMZNBFBEAHTXTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080291
OCCN1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003804	324.442	LIJHVTIOGGIYFV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080292
O=C(C(N1CCOCC1)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_97907968	324.442	YWDWTBFBUNHRLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080293
O=C(N1CCCC(CC1)(C)O)NCCc1nc2n(c1)CCS2	EMOLS-id_100053957	324.442	QOXMUJXIRFENQY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-080294
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCN1CCOCC1	MCULE-2114123995,EMOLS-id_101999928	324.442	NLCISFDXGLVCTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080295
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)CN1CCCC1	EMOLS-id_100178495	324.442	NABSZJAAHFEWJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080296
O=S(=O)(c1cnc2n1CCC2)N1CCCC1CN1CCCC1	EMOLS-id_100199193	324.442	DZCDLADKHRYGIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080297
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)N1CCCCC1	EMOLS-id_100203435	324.442	FXPVRBSDAOIPPW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-080298
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)C1CCCN1	PC-id_121706129,EMOLS-id_303001978,MCULE-6670803122	324.442	QYSVSHRSBPXYRZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-080299
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)NCC1CC1	PC-id_121702766	324.442	WEKBDYAHJYUXSV-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-080300
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)C1CCCC1	EMOLS-id_100201164	324.442	IGFANEQUZRVYBM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-080301
O=S(=O)(c1cnc2n1CCC2)NC1CCN(CC1)CC1CC1	EMOLS-id_100184346	324.442	GSVROKIFGCMYIM-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-080302
O=S(=O)(c1cnc2n1CCC2)NCC1CCN(CC1)C1CC1	EMOLS-id_101179921	324.442	MOWBTQRDVJLDSU-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-080303
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)C)C(=O)N	PC-id_2356485	324.442	QMXAXFWCNWSXPL-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-080304
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)CCCC	PC-id_44052856	324.442	RVQOFZBISQATDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080305
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)C(C)(C)C	PC-id_44052857	324.442	ULRMZQJTIHGNNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080306
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)CC(C)C	PC-id_44052858	324.442	YDSAYMLDXUHWKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080307
N#Cc1ccc(nc1)N1CCC(CC1)NC1CCc2c1scc2	EMOLS-id_318808595,MCULE-7976517352	324.443	HKTXQHRMHUSEIU-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-080308
Cc1n(CCc2ccccc2)c(c2c1C(C)(C)CC2(C)C(=O)N)C	PC-id_12894325,SCHEMBL11607958	324.46	MSCSVYBWAGRSGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080309
CCCCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215927,MCULE-7310097267	324.46	FVPWTXHBEAVQHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080310
CCCCN(CC)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3032037790,EMOLS-id_328337563	324.46	PGJRNRWJUQIHEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080311
CCCN(CCC)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328336797,MCULE-8528210097	324.46	DAODSDAMBQMOCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080312
CC(C)N(C(C)C)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338330,MCULE-7342501886	324.46	YBPYYBIDAYEPBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080313
c1(NC(=O)CS(=O)CCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320644595,MCULE-8005713676	324.461	GSGPORPDBLQONB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080314
c1(NC(=O)CS(=O)CCC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320646131,MCULE-7981564328	324.461	WEABLYGSDIIHCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080315
c1(NC(=S)NCC(=C)C)sc2c(CCC2)c1C(=O)OCC	STOCK1S-26084,CoCoCo_71060,TIMTEC462964,SPECS-id_AJ-292/40199724,ZINC22_4438553,BAS-00435723,EMOLS-id_936580,PC-id_2848052,MCULE-2765593665	324.461	SYEWCLXTCNVFEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080316
s1c2c(CCC2)c(NC(=S)NCC(=C)C)c1C(=O)OCC	PC-id_23962710	324.461	BLPJVNNCPOGPCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080317
S(C1CCCC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_18775672	324.461	JNBCHYLQGDEASZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080318
c1(NC(=S)NC2CCCC2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_30081114,PC-id_19650423,CoCoCo_6964796,MCULE-8747998006,SPECS-id_AO-476/43417030,ZINC22_13818368	324.462	DOGWAWAOALZJIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080319
s1c2c(CCC2)c(c1NC(=S)N1CCCCC1)C(=O)OC	PC-id_19653692	324.462	DIYHPEPCAAUOMG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-080320
c12CN(Cc1nn(CC1CCC1)c2CN(C)C)Cc1ccccc1	EMOLS-id_324352615,MCULE-3334051093	324.463	VFPXPJQSRILLOL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080321
C1CCN(CC1)CC(c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318161108	324.463	LHXUZNBXZUMOEE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080322
c1(CN2CCN(CC2)c2cccc(C)c2C)c2CCCc2nn1C	PC-id_155976027,MCULE-1326932366,EMOLS-id_331207375,ZINC22_891456652	324.463	JJBMLAXXRYJZTA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080323
CC1CC(c2n1ccn2)NC1CN(C(C1)(C)C)Cc1ccccc1	EMOLS-id_318168573,MCULE-5016797607	324.463	QCRBECWGFPFQEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080324
Cc1ccccc1CN1CCC(CC1)NC1CC(n2c1ncc2)C	MCULE-6866369179,EMOLS-id_318045260	324.463	LMDWEFDLDDYCGK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080325
Cc1ccc(cc1)N1CCN(CC1)CCCc1[nH]nc2c1CCC2	PC-id_17773112,SCHEMBL7964122	324.463	PAAHCAHFDDMDFJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080326
CC1CC(CCN1Cc1ccccc1)NC1CC(n2c1ncc2)C	MCULE-5647093524,EMOLS-id_317959800	324.463	ZDERYHHXERPBJW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080327
CC1CCN(CC1)C(c1ccccc1)CNC1CCn2c1ncc2	EMOLS-id_318362164	324.463	UNLNYRPQFMHCQH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080328
CC1(C)CN(CCC1NC1CCn2c1ncc2)Cc1ccccc1	MCULE-1593180522,EMOLS-id_317928353	324.463	PMSJKNDUFSSHCZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080329
CC1CCN(CCN1Cc1ccccc1)Cc1cnc2n1CCC2	EMOLS-id_318209435	324.463	IUKMSMITUZYCPR-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-080330
CC1CN(CC(C1)NC1CC(n2c1ncc2)C)Cc1ccccc1	EMOLS-id_318657489,MCULE-1495483718	324.463	FAAYPBOACXULET-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080331
CC1CN(CC(C1NC1CCn2c1ncc2)C)Cc1ccccc1	MCULE-6506443886,EMOLS-id_318237710	324.463	ZNMNAXRQDVCWGA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080332
CC(c1ccccc1)N1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318160723,MCULE-8261397457	324.463	DIIWZKCGXZXZDE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080333
NCCCN(C1c2nc(cn2CC1(C)C)C)C(=O)CSCC	PC-id_145216116	324.485	YYUDTZUDQHUVIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080334
O=C(C1(CCC1)S(C)(C)C)Nc1n[nH]c2c1CN(C2(C)C)C	SCHEMBL19312165	324.485	BVVWIKFKQDMZNH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-080335
CCOC(=O)c1cc(n2c1CCC2)C(=O)C(Cl)(Cl)Cl	PC-id_121390092,SCHEMBL17814913	324.588	LPAKTQYEBLBXQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080336
CC([Si](C(C)C)(C(C)C)OC1c2cscc2CC1(C)C)C	PC-id_122226624	324.597	HOPJSNXHXOPTKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080337
Brc1sc2c(C(CC2)CN(C)C(=O)O)c1Cl	PC-id_70813476,SCHEMBL12970632	324.622	JZEPQSOJBOGDEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080338
COc1cc(F)c(c(c1)Cl)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316632895	324.738	BWPKJYHBQRNGDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080339
Clc1ncc(c(c1)C(=O)Nc1sc2c(n1)CCC2)[N+](=O)[O-]	PC-id_103732220	324.743	YEJFWDFIMPUSOV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080340
Clc1nccc(C(=O)Nc2sc3CCCc3n2)c1[N+](=O)[O-]	PC-id_65696434	324.743	LOGBOBDKHHKDSR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080341
O=C(c1cc(cnc1Cl)[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_108157134	324.743	KDPNSWBYPUSSSR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080342
COC(=O)c1c(NC(=O)N2CCC=C(C2)Cl)nc2n1CCC2	EMOLS-id_319269873	324.763	IIKXQGCQFPOJHK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-080343
Clc1ccc(S(=O)(=O)c2c3n(c(c2C)C)CC(=O)N3)cc1	PC-id_13809857	324.783	KLAWHDSODSUBQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080344
Clc1sc2CCC(Nc3c([N+](=O)[O-])cc(OC)cc3)c2c1	PC-id_81234673	324.783	ORUDCATWXCXBMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080345
Clc1sc2CCC(Nc3c(OC)ccc([N+](=O)[O-])c3)c2c1	PC-id_81234536	324.783	RDIOMNHDBHGTOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080346
Clc1sc2CCC(Nc3c(OC)cc([N+](=O)[O-])cc3)c2c1	PC-id_81234937	324.783	JBUSILHDPJTCHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080347
COc1ccc(cc1Cl)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104287507	324.783	PNFPPEMAJWBDAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080348
COc1cc(ccc1Cl)Nc1nc2c(s1)CCC2C(=O)O	PC-id_107623563	324.783	WIFVHIVOSYQEAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080349
COc1ccc(cc1Nc1nc2c(s1)CCC2C(=O)O)Cl	PC-id_104287553	324.783	HSMGKDKFXWNTAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080350
COc1ccc(c(c1)Nc1nc2c(s1)CCC2C(=O)O)Cl	PC-id_104288104	324.783	NYFXRBMSBVXYFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080351
COc1ccc(cc1[N+](=O)[O-])NC1CCc2c1cc(s2)Cl	PC-id_104192020	324.783	UIWDXRITQHLFQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080352
c1(NC(=O)c2c(Cl)cnn2C)sc2c(CCC2)c1C(=O)N	MCULE-2165891730,ChEMBL-DNDi_CHEMBL1581578,ZINC22_371786,PC-id_841657,GD-id_ZINC00371786,TIMTEC537907,CHEBI:121121,EMOLS-id_2325282,CHEMBL1581578,CoCoCo_1046311	324.786	WXVRUORCEWSQKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080353
Clc1nc(NCc2sc3c(c2)CCC3)c(c(n1)C)[N+](=O)[O-]	PC-id_106194052	324.786	VQSOBCXXTBCEHF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080354
COC(=O)c1c(NCc2ccc(nc2)Cl)nc2n1CCS2	PC-id_139835819	324.786	FUKUCDACMNDEIH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080355
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009467,MCULE-7148511159	324.796	MCWRVTIHGNMTIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080356
Clc1sc2CCC(Nc3c(c(F)cc(c3)C(=O)N)C)c2c1	PC-id_81234264	324.801	SYZPQPNDYTYIGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080357
Clc1sc2CCC(Nc3cc(NC(=O)C)ccc3F)c2c1	PC-id_81234212	324.801	DDEDOYDURMETIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080358
Clc1sc2CCC(Nc3cc(NC(=O)C)c(F)cc3)c2c1	PC-id_81234248	324.801	YGPHMEZLCUTLPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080359
Clc1c(C(O)c2sc3c(CCC3)c2)cc(OC)c(OC)c1	PC-id_61081588	324.822	YMKCSADUQASUAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080360
COc1ccc(c(c1Cl)OC)C(c1sc2c(c1)CCC2)O	PC-id_116465224	324.822	APXBXVXZCPJILB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080361
Clc1c(C(N)c2sc3CCCc3n2)ccc(OC)c1OC	PC-id_63632917	324.826	SYMINONBABPDGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080362
Clc1sc2CCC(Nc3ccc(OCCOC)nc3)c2c1	PC-id_81234917	324.826	AWRPDJVYSLPPLP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-080363
Clc1sc2CCC(Nc3cn(CCOC)c(=O)cc3)c2c1	PC-id_81233753	324.826	CWEJTDYPYAYWAW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-080364
CNC1CCc2c1cn(c2C)S(=O)(=O)c1cccc(c1)Cl	SCHEMBL16547985,PC-id_117936011	324.826	MTXWHWKCAWWTPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080365
CCCOc1nc(NCc2sc3c(c2)CCC3)nc(n1)Cl	PC-id_106194024	324.829	AZDPUEQKHFLBEX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080366
CC(Oc1nc(NCc2sc3c(c2)CCC3)nc(n1)Cl)C	PC-id_106194066	324.829	KYESBVKTUYRJPO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080367
CCCNC(c1ccc(cc1Cl)F)c1sc2c(n1)CCC2	PC-id_108298479	324.844	WLAHZYAYAYYLJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080368
CCCNC(c1cccc(c1F)Cl)c1sc2c(n1)CCC2	PC-id_114488406	324.844	SHDBLEZDRKBTQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080369
CCCNC(c1ccc(cc1F)Cl)c1sc2c(n1)CCC2	PC-id_114859198	324.844	YVGLARRBHGXOMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080370
CCCNC(c1cc(Cl)ccc1F)c1sc2c(n1)CCC2	PC-id_114859199	324.844	DEGIJELWIXREBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080371
CCCNC(c1sc2c(n1)CCC2)c1cc(F)cc(c1)Cl	PC-id_114453973	324.844	KYRBYLLSAKEHBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080372
CC(NC(c1ccc(cc1Cl)F)c1sc2c(n1)CCC2)C	PC-id_108298490	324.844	RWGGTTKJXBUMNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080373
CC(NC(c1cccc(c1F)Cl)c1sc2c(n1)CCC2)C	PC-id_114488412	324.844	LKEGXSXOYJHJQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080374
CC(NC(c1ccc(cc1F)Cl)c1sc2c(n1)CCC2)C	PC-id_114859214	324.844	HOJDISLWRPDOCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080375
CC(NC(c1cc(Cl)ccc1F)c1sc2c(n1)CCC2)C	PC-id_114859215	324.844	BTOVXDFTCSOQIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080376
CC(NC(c1sc2c(n1)CCC2)c1cc(F)cc(c1)Cl)C	PC-id_114453979	324.844	FHYJRNQOJLJJKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080377
Clc1cc(C(NCCC)c2sc3CCCc3n2)ccc1F	PC-id_81151347	324.844	VXOIQOZITWLERD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080378
Clc1cc(C(NC(C)C)c2sc3CCCc3n2)ccc1F	PC-id_81151870	324.844	DWGLRAMTMGEALQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080379
Clc1c(C(NCCC)c2sc3CCCc3n2)c(F)ccc1	PC-id_61333616	324.844	SMRNUHZPDQSUFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080380
Clc1c(C(NC(C)C)c2sc3CCCc3n2)c(F)ccc1	PC-id_61335620	324.844	OOBRWXKJYORWEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080381
Clc1c(F)cc(C(NCCC)c2sc3CCCc3n2)cc1	PC-id_61650396	324.844	HESABKYGWCOVBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080382
Clc1c(F)cc(C(NC(C)C)c2sc3CCCc3n2)cc1	PC-id_61650485	324.844	UOQNUWKHCAMQOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080383
c1(NC(=O)CSc2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-6730168607,PC-id_7254632,CoCoCo_5138712,EMOLS-id_5566020,ZINC22_4496566	324.849	WWTZUSPHTGIYAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080384
Clc1sc(C(=NNC(=O)c2sc3CCCc3c2)C)cc1	PC-id_85015536	324.849	PIOXBWJWPQSMLD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-080385
ClCCNC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109999	324.849	KBZZBZSWWNTFOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080386
CNc1c(c2c(s1)CSC2)C(=O)Nc1ccc(cc1)Cl	PC-id_135200421,SCHEMBL20354008	324.849	HYLUBUYXCNFXPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080387
CCn1nc(c(c1CC(c1sc2c(c1)CCC2)O)Cl)CC	PC-id_115815216	324.869	YSCIPHZDKWPPEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080388
Clc1sc2c(C(NC3CCN(CC3)C(=O)C3CC3)CC2)c1	PC-id_81235604	324.869	NWRYCHFCRQCDDL-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-080389
CN(CCn1ncc(c1C(c1sc2c(c1)CCC2)N)Cl)C	PC-id_105039003	324.872	HLJMDNCQFXSHDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080390
NNC(c1sc2c(c1)CCC2)Cc1n(CC)nc(c1Cl)C	PC-id_105316953	324.872	OKIHJACAIFVKMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080391
NNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Cl)CC	PC-id_105316821	324.872	BZXPUZCGLCTSLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080392
Brc1sc(Br)c2c1C(=NO)CC2=O	PC-id_57368871	324.977	PCKNXHKCBHPQKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080393
Brc1sc(Br)c2c1C(=O)N(C2=O)C	SCHEMBL12629769,PC-id_59523106	324.977	HPTOGBJGZRJBRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080394
C1C(c2c(sc(c2C1=O)Br)Br)N=O	PC-id_89318539,SCHEMBL14379461	324.977	HMZIVCHPMDLRKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080395
CC1=C(N2CN(C(=O)C2=N1)CCCC(F)(F)F)Br	PC-id_152424290	325.004	XOCMXJAHYGHHLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080396
CCCCN1CN2C(=C(N=C2C1=O)C(F)(F)F)Br	PC-id_152374633	325.004	XEDDPMASNGSLBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080397
C1CN2C(=CC=C2C(=O)C3C=CC=CC3(Cl)Cl)C1C(=O)O	PC-id_149251696	325.027	BVCXQDXXIDCJOX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-080398
C1CN2C(=CC=C2C(=O)C3=CCC(C=C3)(Cl)Cl)C1C(=O)O	PC-id_149252321	325.027	ZRZKEJQDRVYCSV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-080399
C1CN2C(=CC=C2C(=O)C3=CC=CC(C3)(Cl)Cl)C1C(=O)O	PC-id_154374309	325.027	GFJJHGCUKAIFCN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-080400
C1CN2C=CN=C2[C@H]1NC(=O)CC3=CC(=C(C=C3)OC(F)F)F	PC-id_164636433,ZINC22_1615626072	325.104	LHGYVGKGNJIZOZ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-080401
CC1=NC=CC(=N1)NC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F	EMOLS-id_317733543,ZINC22_1857533221,PC-id_154779965,MCULE-3628415763	325.115	KCHPULOMIQAMNR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080402
CC(C(=O)C)OC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3	PC-id_161833157	325.131	MOQZNSPCLZSOKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080403
C[C@@]1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)OC(=O)N	PC-id_163591162	325.139	GPQLDYSFAZKPOD-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080404
CC1=CC=C(C=C1)C=C(C)C(=O)N2CC3=C(C2C(=O)OC)C=NN3	PC-id_154775956,MCULE-9488474747,EMOLS-id_316325814	325.143	SZEWBZOZQXLYHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080405
CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)NC3CCN4C3=NC=C4	PC-id_154793443	325.154	QEFISEWNGRNLMX-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-080406
CN1[C@H]([C@@H](CC1=O)NC(=O)C2=NNC3=C2CCC3)C4=CN=CC=C4	PC-id_154757132,MCULE-9086816136,EMOLS-id_317273297	325.154	NKGPSNLXEXKODQ-CJNGLKHVSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080407
Brc1ccc(o1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_53520658,EMOLS-id_35691646,MCULE-4957078641	325.161	KDRPCDSYZPXZEV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080408
Cc1cc(CNC(=O)c2c(Br)nc3n2CCC3)no1	ZINC22_585120848,EMOLS-id_177337928,MCULE-2345794081	325.161	OUFLFUHHVNBXHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080409
CC(c1nnc2n1CCC2)NC(=O)c1ccoc1Br	PC-id_113885000	325.161	MTXWJCLWOJRKEH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080410
C[C@H](NC(=O)c1ccc(Br)o1)c1nnc2n1CCC2	PC-id_93985924,ZINC22_44299850	325.161	KDRPCDSYZPXZEV-ZETCQYMHSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080411
C[C@@H](NC(=O)c1ccc(Br)o1)c1nnc2n1CCC2	PC-id_93985925,ZINC22_44299854	325.161	KDRPCDSYZPXZEV-SSDOTTSWSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080412
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Br)o1	PC-id_53500667,MCULE-8392496659,ZINC22_44298595,EMOLS-id_35688616	325.161	LTCALLMDZDFGPL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080413
CN(C(=O)c1ccoc1Br)Cc1nnc2n1CCC2	PC-id_113885069	325.161	CLGUAOCLSRCJSY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080414
COc1cc(=O)n(cc1Br)Cc1nnc2n1CCC2	EMOLS-id_319815513	325.161	NWHTTXHTUYSLGD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080415
O=C(C1NCc2c1c[nH]n2)N(Cc1ccc(o1)Br)C	EMOLS-id_319512386	325.161	QGUCLVBSEXWFBZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080416
O=C(c1nn2c(c1Br)CCC2)NCc1cnoc1C	EMOLS-id_319301654	325.161	HMTSRMBDLULGSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080417
CN1C(=C(C=N1)C(=O)N(C)CC2=NN=C3N2CCC3)N4C=CC=C4	MCULE-2376840165,PC-id_154773760,EMOLS-id_257873413	325.165	WRLPSDUIFMOSCF-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-080418
CC1=C(C(=Nc2cc(c(c(c2)Cl)O)Cl)[n+]2nn(nc12)C)C	PC-id_136089207	325.173	RYKCHZNJPNDLND-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-080419
CC1CCc2c1c(O)nn2Cc1cc(Br)ccc1F	MCULE-8792587905,EMOLS-id_330959857	325.176	MDTKMLNVVZTVMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080420
CC1CCc2c1c(O)nn2Cc1ccc(Br)cc1F	EMOLS-id_330958321,MCULE-9672452233	325.176	JUFYJGGNQOPXQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080421
CC1CCc2c1c(O)nn2Cc1ccc(Br)c(F)c1	MCULE-5932133843,EMOLS-id_330958577	325.176	UFWSHCYZNYHRHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080422
CC1CCc2c1c(O)nn2Cc1cccc(Br)c1F	EMOLS-id_330960113,MCULE-3134760982	325.176	ZTDBZZPKLWMYDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080423
CC1CCc2c1c(O)nn2Cc1cccc(F)c1Br	MCULE-8806093354,EMOLS-id_330958066	325.176	DSVOUYMIDLIHQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080424
CC1CCc2c1c(O)nn2Cc1ccc(F)c(Br)c1	EMOLS-id_330959601,MCULE-2709604562	325.176	HPANMYPONLLPGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080425
CC1CCc2c1c(O)nn2Cc1ccc(F)cc1Br	MCULE-1057520360,EMOLS-id_330957554	325.176	SUPCFGUSAFEWFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080426
CC1CCc2c1c(O)nn2Cc1cc(F)cc(Br)c1	MCULE-8994984855,EMOLS-id_330960369	325.176	XUZZEFVNRNUOTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080427
CC1CCc2c1c(O)nn2Cc1c(F)cccc1Br	EMOLS-id_330957810,MCULE-9863641641	325.176	SKAZOVISTUTUHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080428
CC1CCc2nn(Cc3cc(Br)ccc3F)c(O)c12	EMOLS-id_331002031,MCULE-5391761794	325.176	PIMOBWXGSNNQMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080429
CC1CCc2nn(Cc3ccc(Br)cc3F)c(O)c12	MCULE-7494534127,EMOLS-id_331004590	325.176	RUAIPEIRYMPYGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080430
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(O)c12	MCULE-4261638448,EMOLS-id_331004846	325.176	DYKPRJUQIDLZEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080431
CC1CCc2nn(Cc3cccc(Br)c3F)c(O)c12	EMOLS-id_331002287,MCULE-2480733708	325.176	QUZXFQBSFTXGKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080432
CC1CCc2nn(Cc3cccc(F)c3Br)c(O)c12	EMOLS-id_331004335,MCULE-5991710886	325.176	IZHJVVZEALDICI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080433
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(O)c12	MCULE-1143299369,EMOLS-id_331005870	325.176	BENOWMYYMZFZJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080434
CC1CCc2nn(Cc3ccc(F)cc3Br)c(O)c12	EMOLS-id_331003823,MCULE-9034263827	325.176	RUCUNAXQRZOKIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080435
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(O)c12	EMOLS-id_331002543,MCULE-2016319880	325.176	PPMCHZKTDREVEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080436
CC1CCc2nn(Cc3c(F)cccc3Br)c(O)c12	EMOLS-id_331004079,MCULE-7350768003	325.176	PSNHNZOVMQAROU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080437
Brc1ccc(c(c1)CNCc1nnc2n1CCC2)F	PC-id_45886957,MCULE-3726460611	325.179	CYKSNTOANPIDPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080438
Brc1c(CNCc2nnc3n2CCC3)cccc1F	EMOLS-id_318436043,MCULE-5856966124	325.179	KPVKIHXFBHJFFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080439
Brc1cnc(c(c1)F)CNC1CC(n2c1ncc2)C	EMOLS-id_317992895,MCULE-5627834252	325.179	IGVYDBRLXVFZNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080440
C1CC2=NC=C(N2C1)CNC(=O)C3(CCOCC3)C4=CC=CC=C4	MCULE-4893150403,EMOLS-id_317739965,PC-id_154783156	325.179	WYXGRWCRPKJDQX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080441
CC1CC1C2=CC=C(O2)CN(CC3=C4CCCN4N=C3)C(=O)C=C	PC-id_154881257,MCULE-8503421559	325.179	FARJUBMITVLPNR-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-080442
CC1CC(c2n1ccn2)NCc1c(F)cncc1Br	EMOLS-id_318140064,MCULE-6514696273	325.179	PQAHIXKFODVTFH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080443
Fc1cccc(c1CNCc1nnc2n1CCC2)Br	EMOLS-id_318827288,MCULE-9063586911	325.179	URBDXTZUPSXLFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080444
Fc1ccc(CNCc2nnc3n2CCC3)cc1Br	MCULE-6429459248,ZINC22_30652663,PC-id_37786124,EMOLS-id_45750882	325.179	UAVFQGROGLKRLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080445
Fc1cc(CNCc2nnc3n2CCC3)cc(c1)Br	EMOLS-id_318526576,MCULE-8230554542	325.179	UESLZBPHNSTCOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080446
Fc1c(CNCc2nnc3n2CCC3)cccc1Br	EMOLS-id_318536565,MCULE-3432306162	325.179	QUTBNGFZEYWHJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080447
Brc1ccc(C(=O)Nc2onc3c2CSC3)cc1	PC-id_49719049	325.181	PJCMKFUBHABLPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080448
Brc1cc(C(=O)Nc2onc3c2CSC3)ccc1	PC-id_49719048	325.181	LZKMJLBVUHJIRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080449
Brc1c(C(=O)Nc2onc3c2CSC3)cccc1	PC-id_49719047	325.181	GYKMPHWLPCTZPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080450
Brc1ccccc1C(=O)Nc1nnc2SCCn12	CoCoCo_2590499,ChEMBL-DNDi_CHEMBLF2079-0059,ZINC22_21651428,PC-id_22582958,EMOLS-id_16349415,MCULE-6628824444	325.184	CGCKTUULADPIPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080451
Brc1ccc(cc1)C(=O)Nc1nnc2SCCn12	EMOLS-id_16349419,PC-id_22582960,CoCoCo_2590501,ChEMBL-DNDi_CHEMBLF2079-0061,MCULE-3431601404	325.184	BWDSZLOAPAQUJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080452
Brc1cccc(c1)C(=O)Nc1nnc2SCCn12	ZINC22_21110713,EMOLS-id_16349417,PC-id_22582959,CoCoCo_2590500,MCULE-8517658398,ChEMBL-DNDi_CHEMBLF2079-0060	325.184	SWRQRRZLPMRBHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080453
c1(C(=O)NC)c2CSCc2sc1I	EMOLS-id_331060269,MCULE-4673950038	325.19	KWWPYXBAOUWABL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080454
c1(C(=O)NC)sc2CSCc2c1I	EMOLS-id_330872132,MCULE-3725552223	325.19	BEXQRFIXPZXSCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080455
CCN(CC)c1cc(c(cc1)N=C1C(=C(n2c1nnc2C)C)O)C	PC-id_163587641	325.19	GMVCTKOKHCZGGB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-080456
C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCn2ccnc12	ZINC22_931524204	325.193	OSEOWUZNKCPURB-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080457
C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCn2ccnc12	ZINC22_931524206	325.193	OSEOWUZNKCPURB-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-080458
C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc2n1CCC2	PC-id_94024401,ZINC22_44934458	325.193	IPHYPTMGIWFPAJ-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080459
C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc2n1CCC2	PC-id_94024402,ZINC22_44934460	325.193	IPHYPTMGIWFPAJ-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080460
C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc2n1CCC2	PC-id_97089742,ZINC22_89913817	325.193	UIMBJOSGPALXLY-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080461
C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc2n1CCC2	ZINC22_89913818,PC-id_97089743	325.193	UIMBJOSGPALXLY-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080462
Clc1ccc(c(c1)Cl)CC(C(=O)N1Cc2c(C1)c[nH]n2)N	PC-id_69192527,SCHEMBL4792252	325.193	NCIQCHMONFGJGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080463
Clc1ccc(c(c1)Cl)C[C@H](C(=O)N1Cc2c(C1)c[nH]n2)N	SCHEMBL4792248,PC-id_69192526	325.193	NCIQCHMONFGJGT-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080464
Clc1ccc(c(c1)Cl)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_31936110,MCULE-9426997469,PC-id_45819103	325.193	IPHYPTMGIWFPAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080465
Clc1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1Cl	PC-id_71896178,EMOLS-id_45751122,MCULE-4150490904	325.193	UIMBJOSGPALXLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080466
Clc1cc(C(=O)N(Cc2n3CCCc3nn2)C)cc(Cl)c1	PC-id_51308006	325.193	HIMKIAMCPPFEKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080467
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1Cl	PC-id_52548018	325.193	FWVRWJYMMLGUFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080468
CNC(c1cccc(c1Cl)Cl)C(=O)N1CCn2c1ccn2	EMOLS-id_318200247,MCULE-6007021569	325.193	ZKTOXRSBLJSPBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080469
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Cl)cc1Cl	ZINC22_40523030,EMOLS-id_31936704,PC-id_45819260,MCULE-2282376660,CoCoCo_4880093	325.193	OZABQRDHGHLFEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080470
O=C(c1ccc(c(c1Cl)N)Cl)NCc1cnc2n1CCC2	EMOLS-id_319439483	325.193	GTQPCTALCKFPOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080471
O=C(C1NCc2c1c[nH]n2)NC(c1ccc(c(c1)Cl)Cl)C	EMOLS-id_319121605	325.193	KFLOPUKTDDOTCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080472
O=C(C1NCc2c1c[nH]n2)N(Cc1cccc(c1Cl)Cl)C	EMOLS-id_319704609	325.193	WBDUBKMQIIICDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080473
O=C(C1NCc2c1c[nH]n2)NCCc1ccc(cc1Cl)Cl	EMOLS-id_320083211,MCULE-1383049026	325.193	SYGQWAVBBPSENA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080474
O=C(C1NCc2c1c[nH]n2)NCCc1cc(Cl)cc(c1)Cl	EMOLS-id_319183185	325.193	UTHCMJXMRQUPND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080475
O=C(Cc1cc(Cl)cc(c1)Cl)NCc1nnc2n1CCC2	EMOLS-id_318566148	325.193	AWTUTVDAGMXXPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080476
O=C(C(N1CCn2c1ncc2)C)Nc1cc(Cl)ccc1Cl	MCULE-9732953364,EMOLS-id_316981662	325.193	OSEOWUZNKCPURB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080477
O=C(NCCc1nnc2n1CCC2)c1ccc(Cl)c(Cl)c1	PC-id_53504057,EMOLS-id_35706160,ZINC22_42502738,MCULE-9756536713	325.193	NIQFSVJEHMYPRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080478
Brc1ccc(c(c1)C(=O)c1sc2c(c1)CCC2)F	PC-id_113659297	325.196	YXNQJTXNYLIJSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080479
Brc1cc(C(=O)c2sc3CCCc3c2)ccc1F	EMOLS-id_314934459,PC-id_79736706	325.196	YNGQVNBLAVBVMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080480
O=C(c1cccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_113859758	325.196	XLEIMFBFMIXPRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080481
CCN(CC)c1ccc(cc1)N=C1C(=Nn2c1nnc2C(C)N)C	PC-id_163570507	325.201	FYXSSPYWAIRSGB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-080482
Brc1ccc(o1)C(NC(c1nnc2n1CCC2)C)C	PC-id_104652699	325.204	YQJYBWOZRWWHHT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080483
Brc1cc([nH]c1)C(=O)NCc1sc2CCCc2c1	EMOLS-id_314941233,PC-id_61208792	325.224	IKDMEHCIFRRGOA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-080484
CCn1ncc(c1C(=O)c1sc2c(c1)CCC2)Br	PC-id_115803637	325.224	DCMVBRKCHDTWID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080485
Brc1cccnc1NCCc1cn2c(n1)SCC2	MCULE-5714125404,EMOLS-id_317989852	325.227	DUKZHYOVYQFGKN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080486
Brc1ccc(nc1)NCCc1cn2c(n1)SCC2	MCULE-9645077732,EMOLS-id_318204230	325.227	BFPQOGZMXJEEDM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080487
Brc1ccc(nn1)NCCc1sc2c(n1)CCC2	EMOLS-id_318746315,MCULE-2692192448	325.227	CRDUIHPZXFCMQL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080488
Brc1ccnc(c1)NCCc1cn2c(n1)SCC2	MCULE-6621863560,EMOLS-id_318128965	325.227	NJOLVUUDKIUAHW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080489
Brc1cncc(c1)NCCc1cn2c(n1)SCC2	EMOLS-id_318173152,MCULE-8803019769	325.227	MFKLPQOLXUFSJS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080490
Brc1cnccc1NCCc1cn2c(n1)SCC2	MCULE-6958850600,EMOLS-id_318211971	325.227	LVYRIYKWQWCYNP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080491
Brc1c(ncnc1C)NCc1sc2c(n1)CCC2	EMOLS-id_318476222,MCULE-1898998400	325.227	CMPDTDLWSXAZPL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080492
Brc1cnc(nc1)NCCc1sc2c(n1)CCC2	EMOLS-id_318525695,MCULE-9665522896	325.227	QGGWCIRFKBTNLZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080493
Brc1ncc(nc1)NCCc1sc2c(n1)CCC2	MCULE-9438167772,EMOLS-id_318603863	325.227	ZANAUBPSJXMORG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080494
C1CCCN(CC1)C2=NC=C(C=C2)CNCC3=CN=C4N3CCC4	PC-id_154741981	325.227	RIUVIXHKSLPEII-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-080495
Cc1nc(NCc2sc3c(n2)CCC3)ncc1Br	EMOLS-id_318747893,MCULE-3697364453	325.227	ASUUFJRVDYYPQE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080496
Nc1nc(NCc2sc3c(c2)CCC3)nc(c1)Br	PC-id_116795652	325.227	UFQPCIKJQRALPQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080497
CC(c1nc2c(n1Cc1ccc(c(c1)Cl)Cl)C(CC2)O)C	PC-id_58460192,SCHEMBL2512419	325.233	NNMOLXLLLFABDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080498
COc1ccc(Cn2nc3CCC(C)c3c2CCl)cc1Cl	EMOLS-id_331007669,MCULE-6399587913	325.233	UDNFZAQFLAIQOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080499
COc1ccc(Cn2nc3CCC(C)c3c2CCl)c(Cl)c1	MCULE-6091035398,EMOLS-id_331007925	325.233	JZLCGWYWODKTKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080500
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)cc1Cl	EMOLS-id_331023627,MCULE-6179620573	325.233	RLPJENMYUOKWGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080501
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)c(Cl)c1	MCULE-6199533543,EMOLS-id_331023883	325.233	NSDCEYHACFFZEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080502
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1CCl	EMOLS-id_331007161,MCULE-1810543571	325.233	OCWBEDKLXDNGMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080503
COc1cc(Cl)ccc1Cn1nc(CCl)c2C(C)CCc12	EMOLS-id_331023119,MCULE-1720580728	325.233	HYDCLCWTBQJIQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080504
COc1cc(Cn2nc3CCC(C)c3c2CCl)ccc1Cl	MCULE-1139486236,EMOLS-id_331006905	325.233	GAYOOBIETGKFJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080505
COc1cc(Cn2nc(CCl)c3C(C)CCc23)ccc1Cl	MCULE-7715156148,EMOLS-id_331022863	325.233	CGZYAARENVTGQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080506
Clc1cccc(c1Cl)C(NC(c1nnc2n1CCC2)C)C	PC-id_108418874	325.236	PBQPYBSTFCVBBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080507
Clc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1Cl	PC-id_43748116	325.236	YWHJVQHXJKUNSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080508
Clc1c(C(NC(c2n3CCCc3nn2)C)C)ccc(Cl)c1	PC-id_43748164	325.236	FQQDHZNCVSRSJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080509
Clc1c(C(NC(c2n3CCCc3nn2)C)C)cc(Cl)cc1	PC-id_43748097	325.236	LZBVAMFQWRCCTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080510
BrC(c1sc2c(CCC2)c1)c1cc(c(F)cc1)C	PC-id_79746744	325.239	GAQCVXYOIZCWSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080511
BrC(c1sc2c(CCC2)c1)Cc1ccc(F)cc1	PC-id_63542263	325.239	CWEGIXCDBKJOLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080512
BrC(c1sc2c(CCC2)c1)Cc1cc(F)ccc1	PC-id_63543845	325.239	IZVFIYSUDPLQOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080513
BrC(c1sc2c(CCC2)c1)Cc1c(F)cccc1	PC-id_55224279	325.239	PYOXLXBROSKFGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080514
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(c1)C(F)(F)F	EMOLS-id_17097615,PC-id_135635941,STOCK6S-45060,MCULE-1106919702	325.246	YHBQPSLLOPKQLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080515
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccccc1C(F)(F)F	PC-id_135635939,STOCK6S-44832,EMOLS-id_17097289,MCULE-8637540601	325.246	NDCVHUHWUCLFOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080516
N#Cc1nc2n(c1C)CC(O2)COc1ncc(cn1)C(F)(F)F	PC-id_140261641	325.246	VXJPPJPWRORHAH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080517
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccccc1C(F)(F)F	ZINC22_13686851,PC-id_135924879	325.246	NDCVHUHWUCLFOD-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080518
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccccc1C(F)(F)F	ZINC22_13686856,PC-id_135924880	325.246	NDCVHUHWUCLFOD-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-080519
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1cccc(C(F)(F)F)c1	PC-id_135924894,ZINC22_13687859	325.246	YHBQPSLLOPKQLH-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-080520
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1cccc(C(F)(F)F)c1	ZINC22_13687857,PC-id_135924893	325.246	YHBQPSLLOPKQLH-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080521
CCC(C(=O)NCC(F)F)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867367,TIMTEC346697,MCULE-5796079465,PC-id_19590937	325.278	NYJQGCKOQDMTME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080522
CC[C@@H](C(=O)NCC(F)F)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092491,ZINC22_20607581	325.278	NYJQGCKOQDMTME-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080523
CC[C@H](C(=O)NCC(F)F)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092492,ZINC22_20607583	325.278	NYJQGCKOQDMTME-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080524
COC(=O)c1c(sc2c1CCC2)NC(=O)C(C(F)F)(F)F	PC-id_103737541	325.279	KZMVNBVADDCGFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080525
c12CN(Cc1nn(CC(F)(F)F)c2)C(=O)OCc1ccccc1	EMOLS-id_324341091,MCULE-5486422228	325.286	LWEYTPGVKHCKIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080526
c1(C(=O)Nc2cccc(c2)OC(F)(F)F)c2CCCc2n(C)n1	EMOLS-id_320482060,MCULE-9267151861,PC-id_84467419	325.286	QSMXBLZSXRCJSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080527
c1(C(=O)Nc2ccc(cc2)OC(F)(F)F)c2CCCc2n(C)n1	PC-id_84467420,EMOLS-id_320482316,MCULE-2260826815	325.286	WVUDPAMCFLTPMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080528
Cc1cccc(c1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740027	325.286	GXDKSMWCVICLJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080529
Cc1ccc(cc1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740316	325.286	QGODWADCKAZOQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080530
Cn1nc2c(c1NC(=O)c1ccc(OC(F)(F)F)cc1)CCC2	PC-id_47777785,EMOLS-id_33313573,MCULE-3142558027,ZINC22_58363176	325.286	WJPYOVAOLPDNED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080531
Cn1ncc2c1CN(C(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C2	ZINC22_857883844	325.286	SAYQGKFYZNWMQC-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080532
Cn1ncc2c1CN(C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C2	ZINC22_857883845	325.286	SAYQGKFYZNWMQC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080533
Fc1c(C[C@@H](N)CC(=O)N2Cc3c(noc3)C2)cc(F)c(F)c1	PC-id_56656205	325.286	OAEKRAURANIEFJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080534
Fc1c(C[C@@H](N)CC(=O)N2Cc3c(onc3)C2)cc(F)c(F)c1	PC-id_56656272	325.286	UWKXCKYTPGATNT-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080535
Fc1c(CC(N)CC(=O)N2Cc3c(noc3)C2)cc(F)c(F)c1	PC-id_76388664	325.286	OAEKRAURANIEFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080536
Fc1c(CC(N)CC(=O)N2Cc3c(onc3)C2)cc(F)c(F)c1	PC-id_76388686	325.286	UWKXCKYTPGATNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080537
FC(Oc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)F)F	EMOLS-id_319647906	325.286	LBYNQMABWVREET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080538
FC(Oc1ccc(cc1F)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_320012964,MCULE-8296785605	325.286	OSPSMZNRMWPJOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080539
FC(Oc1cc(F)ccc1C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_320236034,MCULE-4358722739	325.286	URSRKZWWSQYNMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080540
FC(Oc1cc(F)ccc1C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_318844578	325.286	UMRQHYPKVWYJJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080541
O=C(c1ccc(cc1O)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318995218	325.286	NOVLCZCTRFEDTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080542
O=C(c1ccc(cc1)OC(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319678851	325.286	OQONRIAYOUNTOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080543
O=C(c1cccc(c1)OC(F)(F)F)NCc1cnc2n1CCC2	MCULE-4600900792,EMOLS-id_320004938	325.286	FRMRKYGWMDBFNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080544
O=C(c1ccccc1OC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318903995	325.286	GYBPNGCNODKSID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080545
O=C(c1ccc(cc1O)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319146311	325.286	BRLQWPURMRDWKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080546
O=C(c1ccc(cc1)OC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319376439	325.286	HBTLPPPLRXZERH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080547
O=C(c1cccc(c1O)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319579876	325.286	PLGJJQOGJPCXAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080548
O=C(c1cn2c(n1)CCC2)Nc1cccc(c1)C(C(F)(F)F)O	MCULE-7089124381,EMOLS-id_320099032	325.286	KAAYYPCQFQPQII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080549
O=C(c1cnc2n1CCC2)Nc1cccc(c1)C(C(F)(F)F)O	EMOLS-id_319088185	325.286	STMSITUJAPQOKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080550
O=C(Cc1ccc(OC(F)F)c(F)c1)N[C@@H]1CCn2ccnc12	ZINC22_1615626071	325.286	LHGYVGKGNJIZOZ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080551
OCC(c1cc(F)c(c(c1)F)F)NC(=O)c1n[nH]c2c1CCC2	PC-id_109944517	325.286	AGMONIMOMUWCQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080552
O=C(N1CCn2c1ccn2)C(Cc1cccc(c1)C(F)(F)F)O	EMOLS-id_318158547	325.286	SHPJNRWLGJDMIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080553
O=C(NC1CCn2c1ncc2)Cc1ccc(c(c1)F)OC(F)F	EMOLS-id_316902503,MCULE-1016298665	325.286	LHGYVGKGNJIZOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080554
O=C(NCc1cccc(OC(F)(F)F)c1)c1cn2c(n1)CCC2	EMOLS-id_317028922,ZINC22_1615613850,MCULE-4166373215	325.286	AJBXLOZZQQMYAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080555
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C	SCHEMBL18740151	325.286	UZSHKNVQSVGAIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080556
OC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18739997	325.286	NUKQYMNFOWCCOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080557
CC(C1CCCCC1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331014835,MCULE-8591892604	325.287	GCAMTRKUFJAJPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080558
Cc1cc(nc(n1)C(F)(F)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319708080	325.289	DOHKWWHVGBYYAH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080559
Cc1nc(C(F)(F)F)ccc1C(=O)NCc1nnc2n1CCC2	PC-id_32178773,ZINC22_24861172,MCULE-9325539026,EMOLS-id_35697624	325.289	KSFKMSMXQTYGLP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080560
Cc1nc(nc(c1)C(F)(F)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319926828,MCULE-1190380999	325.289	QCJHMHKQWHFMFQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080561
Cc1nc(nc(c1)C(F)(F)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320234800,MCULE-1218707503	325.289	CUTZCVVQHSUHGK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080562
C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1nnc2n1CCC2	ZINC22_65611084,PC-id_95159122	325.289	CFDWSJGHDBREPE-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080563
C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1nnc2n1CCC2	ZINC22_65611085,PC-id_95159123	325.289	CFDWSJGHDBREPE-MRVPVSSYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080564
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(C(F)(F)F)nc1	ZINC22_40540907,CoCoCo_4921029,PC-id_45827280	325.289	XQHJFEFMQVUPFQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080565
FC(F)(F)c1cc(NC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_60360961	325.289	CXEUFYYKKGJAAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080566
FC(F)(F)c1ncc(C(=O)NC(c2n3CCCc3nn2)C)cc1	EMOLS-id_35713190,PC-id_53519731,MCULE-7450271241	325.289	CFDWSJGHDBREPE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080567
NCc1cc(NC(=O)C2NCc3c2c[nH]n3)cc(c1)C(F)(F)F	MCULE-6512875669,EMOLS-id_320106300	325.289	XXVZPXZGLCGEIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080568
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCn2nccc12	ZINC22_1615589434,EMOLS-id_317035550,MCULE-2442607266	325.289	BNTMPKUKHPJPFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080569
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1C(F)(F)F	EMOLS-id_319553625	325.289	UBJUDNKJFADUOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080570
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)C(F)(F)F	EMOLS-id_319798232	325.289	OQJWUBPVBNEURW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080571
O=C(NCc1nnc2n1CCC2)Nc1ccccc1C(F)(F)F	ZINC22_43159094,EMOLS-id_36633522,PC-id_52186433,MCULE-7816894894	325.289	ZANSULVOGODNPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080572
O=C(NCc1nnc2n1CCC2)Nc1ccc(C(F)(F)F)cc1	MCULE-8746141304,ZINC22_43278477,PC-id_52188583,EMOLS-id_36633588	325.289	CFABELDYNQIUGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080573
C/C=C(/[C@@H]1C[C@@H](c2n1nc(n2)SC(F)(F)F)F)C=C(F)/C	PC-id_142577289	325.301	WFKNNANWPXNIQZ-SJQOPHGFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080574
O1C(CN2CCN(NC(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69480583,SCHEMBL5539649	325.301	GOGKHRFQAYQKTQ-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-080575
O1[C@@](CN2CCN(NC(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69480585,SCHEMBL5539653	325.301	GOGKHRFQAYQKTQ-LBPRGKRZSA-M	00000010100010000001000010000000000000000000000000000000	25-01-080576
c12ccsc1C(=O)CC2NC(=O)c1cccc(c1)C(F)(F)F	PC-id_3294573,CHEMBL1543455,EMOLS-id_36800208,MCULE-2371647913	325.306	DQIHYJNLNFGSJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080577
O=C(N[C@H]1CC(=O)c2sccc12)c1cccc(C(F)(F)F)c1	PC-id_1474703,ZINC22_1386527	325.306	DQIHYJNLNFGSJS-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-080578
O=C(N[C@@H]1CC(=O)c2sccc12)c1cccc(C(F)(F)F)c1	ZINC22_1386528,PC-id_1474704	325.306	DQIHYJNLNFGSJS-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080579
FC(C1CCC(O1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_318811635	325.307	OPAJSBHUBCZFQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080580
FC(C1OCCC(C1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_320161882,MCULE-2313674743	325.307	KSZJSJHQHMRITE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080581
FC(C1OCCC(C1)S(=O)(=O)N1CCn2c1ncc2)(F)F	EMOLS-id_319275447	325.307	HVEKSFOJAMOKHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080582
CCc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324907525	325.309	SWYIMEDFQRJZDN-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-080583
CCc1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324843751	325.309	ORXCOOQPXKKOIF-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-080584
CCc1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324844263	325.309	FVAOELDJBVSCCI-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-080585
n12c(=O)c(=Cc3ccc(CC)cc3)sc1nc(C(F)(F)F)n2	MCULE-5014209495	325.309	SWYIMEDFQRJZDN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-080586
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CC	MCULE-1257112316	325.309	FVAOELDJBVSCCI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-080587
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CC	MCULE-7222053039	325.309	ORXCOOQPXKKOIF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-080588
FS(=O)(=O)c1cnn2CCN(C(=O)OCc3ccccc3)c12	MCULE-6690635509,EMOLS-id_259551861	325.315	XAHXANOYCPFMGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080589
O=C(c1n[nH]c2c1CCC2)Nc1ccc(cc1)OS(=O)(=O)F	MCULE-8718185119	325.315	BGXWUIFSIZAHFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080590
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68439890,SCHEMBL2916251	325.319	LLWJSFKISIRQMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080591
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68441144,SCHEMBL2919996	325.319	ADNUIHKUDFTYCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080592
O=C(c1ccccc1F)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68442244,SCHEMBL2923022	325.319	BIAHIXHWYUWZKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080593
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CCN1CCN(CC1)C(=O)O	PC-id_90997468	325.32	XELJRUYFPVCZKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080594
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCCN(CC1)C(=O)O	PC-id_91314538	325.32	QOFRIKPPIJTUBX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-080595
O1[C@@](CN2CCC(NC(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5539010,PC-id_69480426	325.32	SDTRMZSQMZPLJN-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080596
O1C(CN2CCC(NC(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5539015,PC-id_69480428	325.32	SDTRMZSQMZPLJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080597
O(C(C)(C)C)C(=O)N1CCn2nc(NC(=O)NCC(=O)O)cc12	SCHEMBL12307483,PC-id_58441146	325.32	WGQCKYYIFPSMCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080598
O=C(NCc1nnc2n1CCC2)c1ccc(c2ccco2)[nH]c1=O	PC-id_72046707,EMOLS-id_42959016,ZINC22_75125255,MCULE-7438650271	325.322	LPBBVVUMNLAANV-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-080599
O=C(NN=CC=Cc1c([N+](=O)[O-])cccc1)c1n[nH]c2CCCc12	PC-id_3943759	325.322	UEHIRVUORJLNGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080600
c1(C(=O)Nc2ccc(c(c2)n2cnnn2)OC)c2CCCc2[nH]n1	EMOLS-id_323260090,MCULE-2772519588	325.325	IEHNJKKUWIDSDA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080601
c1(C(=O)Nc2ccc(c(OC)c2)n2cnnn2)c2CCCc2[nH]n1	MCULE-2032656579,EMOLS-id_323258297	325.325	PJCNQSUFZKTRSG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080602
c1(C(=O)Nc2cc(OC)ccc2n2cnnn2)c2CCCc2[nH]n1	PC-id_46996415,ZINC22_67880073,MCULE-7909468172,EMOLS-id_31621805	325.325	BOZVRKBSYPFRSC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080603
Cc1ccc(c(c1)OCC(F)(F)F)CNC1CCn2c1ncc2	EMOLS-id_318256491	325.329	DDEZZNINNZPMOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080604
COc1ccc(c(c1)C(F)(F)F)CNC1CC(n2c1ncc2)C	MCULE-3937714747,EMOLS-id_318089018	325.329	QTDXUEVTMWQEIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080605
OC[C@H](NCc1n[nH]c2c1CCC2)c1cccc(C(F)(F)F)c1	ZINC22_1875308312	325.329	ZPIGUIIDOIXRAO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080606
OC[C@@H](NCc1n[nH]c2c1CCC2)c1cccc(C(F)(F)F)c1	ZINC22_1875308313	325.329	ZPIGUIIDOIXRAO-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080607
c1(CN(C)c2nccc(CCC(F)(F)F)n2)c2CCCc2[nH]n1	PC-id_56863492,EMOLS-id_43072665,ZINC22_71498556,MCULE-8045894903	325.332	KWRJLCLNYSISMS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080608
FC(F)(F)c1ccc(NCCNCc2cnc3n2CCC3)nc1	EMOLS-id_316873175,ZINC22_1461823910,PC-id_136551903,MCULE-6074217238	325.332	CEHWCAFPNKLCGJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080609
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1occc1C	MCULE-4964740701,EMOLS-id_36581280,ZINC22_67740920,PC-id_56745315	325.337	XODCKVNOQKCAEZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-080610
c1(C(=O)NCc2ccc(c3ccc(cc3)F)o2)c2CCCc2[nH]n1	EMOLS-id_49878954,MCULE-7076241763,ZINC22_215529124,PC-id_77085716	325.337	OSQCNFKKCYVMPX-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-080611
O=C(NCc1nnc2n1CCC2)c1cccnc1SC(F)F	ZINC22_32889108,CoCoCo_4560502,EMOLS-id_24970220,PC-id_40124245,MCULE-2885787415	325.337	MOPNBLSPAMIPQQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080612
Cc1ccc(CNC(=O)c2nc3CN(Cc3o2)S(=O)(=O)C)o1	EMOLS-id_44379954,PC-id_97525822,ZINC22_96266060	325.34	XHHNHEXVTSTCGK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080613
N#Cc1ccc(c(c1)F)N1CCC(C1)C(=O)N1CCn2c1ncc2	MCULE-7767122932,EMOLS-id_316996873,PC-id_145880170	325.34	XYEBSGYAPVKCDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080614
N#Cc1ccc(N2CC[C@@H](C(=O)N3CCn4ccnc34)C2)c(F)c1	ZINC22_1875268455	325.34	XYEBSGYAPVKCDL-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080615
N#Cc1ccc(N2CC[C@H](C(=O)N3CCn4ccnc34)C2)c(F)c1	ZINC22_1875268456	325.34	XYEBSGYAPVKCDL-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080616
O=C(c1cn2c(n1)CCC2)N(Cc1ccccc1F)c1cn[nH]c1	MCULE-3212195054,ZINC22_1775984606,PC-id_136554398,EMOLS-id_316957454	325.34	AVSHTWLNWONZED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080617
O=C(Cc1ccn(c2ccc(F)cc2)n1)N=c1cc2n([nH]1)CCC2	ZINC22_1875302130	325.34	AYNACXHDPIMSAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080618
O=C(NCc1ccc(n2ccnc2)c(F)c1)c1n[nH]c2c1CCC2	EMOLS-id_316862315,MCULE-2509649962,PC-id_136579155,ZINC22_130950271	325.34	ICQCZNAQZGUXHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080619
c1(NC(=O)c2noc(c3ccco3)c2)sc2c(CCC2)c1C#N	TIMTEC45896,EMOLS-id_15971022,ZINC22_2602350,MCULE-4037213303,PC-id_4300937	325.342	AKGAVXOGUJOGLH-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-080620
COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](C)n3ncnc23)c[nH]1	ZINC22_594809646	325.344	RQEYPXIIDZXYHZ-APPZFPTMSA-N	00000010110000000001000010000000000000000000000000000000	25-01-080621
COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C)n3ncnc23)c[nH]1	ZINC22_594809648	325.344	RQEYPXIIDZXYHZ-CBAPKCEASA-N	00000010110000000001000010000000000000000000000000000000	25-01-080622
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H](C)n3ncnc23)c[nH]1	ZINC22_594809650	325.344	RQEYPXIIDZXYHZ-IONNQARKSA-N	00000010110000000001000010000000000000000000000000000000	25-01-080623
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3ncnc23)c[nH]1	ZINC22_594809651	325.344	RQEYPXIIDZXYHZ-VXNVDRBHSA-N	00000010110000000001000010000000000000000000000000000000	25-01-080624
COC(=O)c1[nH]cc(c1)S(=O)(=O)NC1CC(n2c1ncn2)C	PC-id_145906738,EMOLS-id_320358246,MCULE-7668008055	325.344	RQEYPXIIDZXYHZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-080625
O=C(c1cc2n(n1)CCO2)NS(=O)(=O)c1c(C)nn(c1C)C	EMOLS-id_112034638	325.344	LLCJRUPYMYBICN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080626
CC(=O)O[C@@H]1CCn2c1c(cc2)OC(=O)[C@@]([C@@H](O)C)(C(C)C)O	PC-id_101993036	325.357	ZSSPBRDVHIAWFQ-IETSOEAISA-N	00000010100000000000000010000000000000000000000000000000	25-01-080627
O=C(OCc1ccn2c1C(=O)CC2)C(O)(C(OC)C)C(O)(C)C	CNP0426207	325.357	UWQKMPYEPLVKBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080628
OC(=O)C1CC[C@H](N1C(=O)c1occ2c1CCC2)c1ccccc1	MCULE-4642073437,EMOLS-id_318448997	325.358	LSPKYWPQDPYQIN-VYRBHSGPSA-N	00000010100000110000100010000000000000000000000000000000	25-01-080629
OC(=O)C1(CCN(C1)C(=O)c1occ2c1CCC2)c1ccccc1	MCULE-5694428444,EMOLS-id_318436557	325.358	ZOWZHUYEUAPXCC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-080630
OC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)c1occ2c1CCC2	EMOLS-id_318524789,MCULE-4590595742	325.358	ZUGBYNLLKMLUOR-HZPDHXFCSA-N	00000010100000110000100010000000000000000000000000000000	25-01-080631
OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)c1occ2c1CCC2	EMOLS-id_318658016,MCULE-7518073474	325.358	ZUGBYNLLKMLUOR-JKSUJKDBSA-N	00000010100000110000100010000000000000000000000000000000	25-01-080632
COc1ccc(c(c1F)C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316425768,MCULE-8508009782	325.359	CELAVFPIUDJQEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080633
COc1ccc(c(c1)F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319776459	325.359	LENAPGXKQWUWQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080634
COc1c(F)cccc1S(=O)(=O)NC1CC(n2c1ncc2)C	MCULE-7806569623,EMOLS-id_319996262	325.359	VQCKFFDAJQVUOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080635
COC(c1ccc(cc1)F)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316668453	325.359	FBAFYCWOANOQTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080636
Cc1ccc(cc1)S(=O)(=O)On1ccc2c1C=CS2(=O)=O	SCHEMBL5053056,PC-id_87770421	325.36	HNFWMUNGPCYAOX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-080637
O=C(c1sc2c(c1S(=O)(=O)N)OCO2)Cc1ccccc1	SCHEMBL4714795,PC-id_57075876	325.36	HDHNBWXVKWDXSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080638
CCCCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OC	SCHEMBL11007293,PC-id_20405044	325.402	YHHQYHHBXZBSME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080782
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](C(=O)O)C1)c1ccccc1	EMOLS-id_44719306,PC-id_70740185,ZINC22_91624819,MCULE-6970930902	325.362	OPISYTZGJBOTLU-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080639
COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)/C(=C/c1ccc(C)cc1)/C	ZINC22_1775994100	325.362	SZEWBZOZQXLYHQ-OQRGYWNNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080640
COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)/C(=C/c1ccc(C)cc1)/C	ZINC22_1775994101	325.362	SZEWBZOZQXLYHQ-RCLKMUNOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080641
O=C(c1n[nH]c2c1CCC2)Nc1ccc2c(c1)OC1(O2)CCCC1	EMOLS-id_110340300	325.362	IXNZJSCAUMNPLP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080642
O=C(N1C(CC[C@H]1c1ccccc1)C(=O)O)c1cc2n(n1)CCC2	MCULE-8727434749,EMOLS-id_318491041	325.362	ORFKWMRYBMTKKX-VYRBHSGPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080643
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccco1	PC-id_92109415	325.362	RRRHFNCSPQFNBH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080644
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccoc1	PC-id_92109483	325.362	PEMNBAWCXFIKSV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080645
OC(=O)C1CC[C@H](N1C(=O)c1cnc2n1CCC2)c1ccccc1	MCULE-5730156452,EMOLS-id_318326900	325.362	IXKXGHGSGSIRPW-LSLKUGRBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080646
OC(=O)C1CC[C@H](N1C(=O)c1cnn2c1CCC2)c1ccccc1	EMOLS-id_318372995,MCULE-6030594923	325.362	BLUUDVITSSJMAQ-LBAUFKAWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080647
OC(=O)C1(CCN(C1)C(=O)c1cnn2c1CCC2)c1ccccc1	EMOLS-id_319972816,MCULE-2218779650	325.362	CRHXLIQRDJIUMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080648
OC(=O)C1C(CN(C1)C(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_77850884	325.362	OPISYTZGJBOTLU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080649
O=C(O)[C@]1(C(=O)NCc2cc3n(n2)CCC3)C[C@@H]1c1ccccc1	ZINC22_1553331639	325.362	XCCNFGPIZLRSGA-CRAIPNDOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080650
O=C(O)[C@]1(C(=O)NCc2cc3n(n2)CCC3)C[C@H]1c1ccccc1	ZINC22_1553331640	325.362	XCCNFGPIZLRSGA-MAUKXSAKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080651
O=C(O)[C@@]1(C(=O)NCc2cc3n(n2)CCC3)C[C@@H]1c1ccccc1	ZINC22_1553331641	325.362	XCCNFGPIZLRSGA-QAPCUYQASA-N	00100010100000110001100010000000000000000000000000000000	25-01-080652
O=C(O)[C@@]1(C(=O)NCc2cc3n(n2)CCC3)C[C@H]1c1ccccc1	ZINC22_1553331642	325.362	XCCNFGPIZLRSGA-YJBOKZPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080653
OC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)c1cnc2n1CCC2	EMOLS-id_319970636,MCULE-2522357708	325.362	AUEQZHSNBDIKIX-ZIAGYGMSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080654
OC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)c1cnn2c1CCC2	EMOLS-id_316418395,MCULE-3149481831	325.362	WVJGTYFLLHMVCX-HUUCEWRRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080655
O=C(O)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1ccccc1	ZINC22_212978114	325.362	OPISYTZGJBOTLU-KGLIPLIRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080656
C1CS(=O)c2nc(cn12)C=C1C2N(C1=O)C(CS2)C(=O)O	SCHEMBL9286695,PC-id_88440615	325.363	KEVHHIHMBCLWAI-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-080657
OC(c1cn2c(n1)SCC2)[C@@H]1[C@H]2SC=C(N2C1=O)C(=O)O	SCHEMBL6704496,PC-id_69872822	325.363	SVZZYKDDAWWLMT-HKJUDDBKSA-N	00001011100000000001001010000000000000000000000000000000	25-01-080658
O[C@H](c1cn2c(n1)SCC2)[C@@H]1[C@H]2SC=C(N2C1=O)C(=O)O	SCHEMBL6704494,PC-id_69872821	325.363	SVZZYKDDAWWLMT-QXFUBDJGSA-N	00001011100000000001001010000000000000000000000000000000	25-01-080659
OC(=O)C1CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)S(=O)CC2	PC-id_67817406,SCHEMBL9286692	325.363	KEVHHIHMBCLWAI-FFZYEYBISA-N	00001010100000000001001010000000000000000000000000000000	25-01-080660
OC(=O)C1CS[C@H]2N1C(=O)C2=Cc1cn2c(n1)S(=O)CC2	PC-id_67817413,SCHEMBL9286699	325.363	KEVHHIHMBCLWAI-QHVVMJAHSA-N	00001010100000000001001010000000000000000000000000000000	25-01-080661
s1c2CCCc2nc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	PC-id_4246104	325.363	VLDJWNUNNSYHCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080662
s1c2CCCc2nc1NS(=O)(=O)c1c([N+](=O)[O-])cccc1	PC-id_5185516	325.363	XSYZPZBBOPBNHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080663
s1c2CCCc2nc1NS(=O)(=O)c1ncc(cc1)C(=O)O	PC-id_63872611	325.363	ASVWASNBXZXWMG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080664
S1C2N(C(=O)C2C(O)c2nc3SCCn3c2)C(=C1)C(=O)O	PC-id_77734927	325.363	SVZZYKDDAWWLMT-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-080665
CC(NC(=O)OCc1nnn2c1[C@H](CC2)OC(=O)NC(C)C)C	CoCoCo_5683552,NSC625779	325.364	TVQBSBYQRKAQRR-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-080666
CC(NC(=O)OCc1nnn2c1[C@@H](CC2)OC(=O)NC(C)C)C	CoCoCo_5683553	325.364	TVQBSBYQRKAQRR-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080667
O(C1CCn2nnc(c12)COC(=O)NC(C)C)C(=O)NC(C)C	PC-id_362188	325.364	TVQBSBYQRKAQRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080668
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccc(nc1)C	MCULE-2026785931,EMOLS-id_168604178	325.365	RASNNKKGCGRAQW-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-080669
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1cncc(C)c1	MCULE-3419160918,EMOLS-id_207863089	325.365	QYOVTZUTBSTUKY-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-080670
C1C[C@H](N(C1)C(=O)Nc1ccccc1)C(=O)N1CCn2c1ccn2	PC-id_136582179,EMOLS-id_316905772	325.365	VJCVDNKPGQFPRO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080671
c1(NC(=O)Cn2ccc(c3ccc(C)o3)n2)n(C)nc2CCCc12	MCULE-9890781332,ZINC22_19144515,PC-id_28077637,EMOLS-id_23818074,CoCoCo_1366824	325.365	QCUAZCZBNMHACM-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-080672
CC(C)n1nc(Cn2cccn2)c2c1CN(C(=O)c1ccco1)C2	EMOLS-id_44369882,ZINC22_96259168,PC-id_97519255	325.365	MOJOEXBBYGWNTC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080673
CC(C)n1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccco1)C2	ZINC22_96084549,PC-id_97405375,EMOLS-id_46182103	325.365	JYBVFPRJZZCJBW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-080674
C#CCOc1ccc(NC(=O)NCCc2nnc3n2CCC3)cc1	MCULE-3953294662,PC-id_71972769,ZINC22_86293863,EMOLS-id_49103072	325.365	DSOLHSRJSIIAPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080675
C=CC(=O)Nc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1	ZINC22_1540697086	325.365	KFKCAEPOGKTZEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080676
C=CC(=O)Nc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc1	ZINC22_1464370256	325.365	CVNMIMPLZRKNPT-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080677
C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc1	ZINC22_1464370262	325.365	CVNMIMPLZRKNPT-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-080678
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)/C=C/c1ccccc1	PC-id_68443129,SCHEMBL2925171	325.365	SODIMGYDACOTMT-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080679
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)/C=Cc1ccccc1	SCHEMBL2923076	325.365	SODIMGYDACOTMT-HJWRWDBZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080680
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)C=Cc1ccccc1	SCHEMBL2923081,PC-id_68442265	325.365	SODIMGYDACOTMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080681
Cn1cc(c(n1)c1ccc(o1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318980516	325.365	XVNDBTSCTFOLNL-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-080682
Cn1cc(c(n1)c1ccc(o1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318929901	325.365	GXELSALLYKAXDO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-080683
Cn1nc2c(c1NC(=O)c1ccc(N3CCNC3=O)cc1)CCC2	EMOLS-id_316832922,MCULE-1774771256,ZINC22_299284458	325.365	FCLVZUSTSVOZFG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080684
Oc1cccc(c1)c1noc(n1)CNCc1n(C)nc2c1CCC2	EMOLS-id_319587570	325.365	QZVCNNIGQBICRU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080685
O=C1N(CC(C1)C(=O)NCc1n2CCCc2nn1)c1ccccc1	MCULE-5614411030,EMOLS-id_31900772,PC-id_45813061	325.365	KZMOQMBKVGVZOG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080686
O=C1NC(CCN1CC(=O)N1CCn2c1ncc2)c1ccccc1	EMOLS-id_279043778	325.365	UQNCWDJYBFNABV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080687
O=C1NCCN1c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320258514,MCULE-1532437524	325.365	OKVDASGNIILMNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080688
O=C1NCCN1c1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-7750819063,EMOLS-id_320067925	325.365	QFHKOWBEXIIXGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080689
O=C(C1CC1)Nc1nccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319469768	325.365	REFOVFZVQVQGRP-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-080690
O=C(c1cccnc1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110272399	325.365	XTGQTKKWSDHMND-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080691
O=C(C1NCc2c1c[nH]n2)Nc1cccc(c1)N1CCCCC1=O	EMOLS-id_318902141	325.365	GRZJLRWKYSSQLP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080692
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)C1CC1)NCc1ccccc1	SCHEMBL2922563,PC-id_68442039	325.365	VHINKRBNUHJTFH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-080693
O=C(NCc1nnc2n1CCC2)c1cccc(N2CCCC2=O)c1	EMOLS-id_31878278,PC-id_45806079,CoCoCo_4651277,MCULE-9382160850,ZINC22_40489873	325.365	YZVADPGHHVKNOO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080694
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCC2=O)cc1	MCULE-5943009281,PC-id_47016883,EMOLS-id_30677170,ZINC22_48279421	325.365	XDIJZDAQFYEUNX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080695
O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(c2ccccc2)C1	CoCoCo_4829094,PC-id_93612728,ZINC22_40510433	325.365	KZMOQMBKVGVZOG-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080696
O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC22_40510434,PC-id_93612729,CoCoCo_4829095	325.365	KZMOQMBKVGVZOG-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080697
O=C(NCc1n[nH]c2c1CCC2)C1NNC(=C2C(=O)C=CC=C2)C1	PC-id_76399704	325.365	PEUUQFZBKPVYOP-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-080698
S1CCn2c1nnc2NC(=O)c1ccc(S(=O)(=O)N)cc1	PC-id_44007653	325.367	KUBRQLQFQWXDSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080699
Cc1nn(C)c(C)c1c1cc(C(=O)N2Cc3cnn(C)c3C2)n[nH]1	MCULE-4133717593,PC-id_136554556,EMOLS-id_316993798,ZINC22_1328657872	325.368	SWOBOSDIFYIFRW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-080700
Cn1cc(c(n1)c1ccnn1C)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319514919	325.368	FQQGBCPFEWNNMT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-080701
Cn1cc(c(n1)c1cnn(c1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319755782	325.368	JZCBBRAZGDRAFR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-080702
O=C(NCCc1n2CCCc2nn1)c1c(n2cccc2)n(nc1)C	PC-id_60445474	325.368	JXHLHUPQNUKTHU-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-080703
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(c3[N+]#[C-])CC)c1nc(n2)C	PC-id_58400710	325.372	DVDKKCBXEQRTAN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-080704
N#CC1C(F)CC(CC1F)OC(=O)c1sc2c(c1)CC(C2)C	PC-id_142184973	325.373	VEBSVHNBXRTFAT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-080705
Fc1ccc(cc1)CNC(=O)c1sc2c(c1)CS(=O)(=O)C2	CoCoCo_2175354,ChEMBL-DNDi_CHEMBL1734125,PC-id_20882727	325.378	JHECEKBWNFJMKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080706
O=C(c1sc2c(c1)CCC2)Nc1ccccc1S(=O)(=O)F	PC-id_116814238	325.378	VAJPOBQXVORVHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080707
c12CCCc1c(C(=O)OCC)c(NC(=O)CC(=O)OCC)s2	EMOLS-id_25507358,PC-id_17097481,SCHEMBL15423722,MCULE-1427278851	325.38	ORWRFLYBICARCY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080708
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)OC(C)C	PC-id_17378789,EMOLS-id_4007894,ZINC22_5727290,CoCoCo_6834682,TIMTEC501906,MCULE-3263826155	325.38	VJOBETNPDWOKGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080709
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(C)C)C(=O)OC	BAS-05159739,CHEMBL1405915,MCULE-3652093637,EMOLS-id_1463287,PC-id_3151749	325.38	QEDNHPSYAMZPSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080710
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCC)C(=O)OC	EMOLS-id_1327856,PC-id_3129644,MCULE-8714588056,BAS-01292098	325.38	FFEPOHSPOXJNTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080711
c1(NC(=O)CCCC(=O)O)sc2c(CCC2)c1C(=O)OCC	STOCK2S-91504,CoCoCo_345328,MCULE-7206346631,PC-id_2927337,CHEBI:112725,LAS-06105103,ZINC22_4294623,EMOLS-id_838113,CHEMBL1605589	325.38	NFCKGJWRKAJUIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080712
c1(NC(=O)CCC(=O)OC)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AN-153/I120928,SCHEMBL8290483,CK1364252,MCULE-2382364058,PC-id_3115389,SPECS-id_AT-084/J158095,SPECS-id_AG-690/11663689,EMOLS-id_1078374,ZINC22_4157073,CoCoCo_1701385	325.38	JTYFFGSPDNJWSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080713
c1(NC(=O)CCC(=O)O)sc2c(CCC2)c1C(=O)OCCC	SPECS-id_AK-968/15605496,CoCoCo_5830356,TIMTEC503138,PC-id_4150119,EMOLS-id_4007896,ZINC22_4646350,MCULE-5868368883	325.38	VKYWOVJNFNNCHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080714
CCCC(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2	CoCoCo_187508,PC-id_7116101,ZINC22_4158964	325.38	FFEPOHSPOXJNTB-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080715
CCCC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](C(=O)OC)CC2	PC-id_7116102,ZINC22_4158963,CoCoCo_187507	325.38	FFEPOHSPOXJNTB-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080716
C(C)(C)(C(=O)O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-6855079721,EMOLS-id_327991808	325.38	AMPYYYHKEYBVGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080717
COC(=O)c1c(NC(=O)C(C)C)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_331936,PC-id_7126045,ZINC22_4194032	325.38	QEDNHPSYAMZPSO-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080718
COC(=O)c1c(NC(=O)C(C)C)sc2c1[C@@H](C(=O)OC)CC2	PC-id_7126046,ZINC22_4194031,CoCoCo_331937	325.38	QEDNHPSYAMZPSO-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080719
Fc1ccc(cc1)C1=CCC(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98981401	325.38	JOWKJAJDURNUPT-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-080720
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)C)C)C(=O)OCC	PC-id_46094884	325.38	GRGCJFMCHUSMJZ-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080721
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C)C)C(=O)OCC	PC-id_75160672	325.38	GRGCJFMCHUSMJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080722
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC)C(=O)OCC	PC-id_7851123	325.38	GVECREJDWQKDJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080723
s1c2CN(C(CCC(=O)OCC)C(=O)OCC)C(=O)c2cc1	PC-id_85206618	325.38	KUXAWXVRXMNOLE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080724
s1c2CN([C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)c2cc1	PC-id_10616035	325.38	KUXAWXVRXMNOLE-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-080725
O=C(OCc1ncc(c2ccccc2)o1)c1cc2c(s1)CCC2	CoCoCo_2840895,EMOLS-id_11688782,PC-id_7623789,MCULE-7582241477,ZINC22_5308534	325.382	ZGLPRWMYLFNTSJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080726
s1c2CCCc2cc1C(=O)OCc1nc(oc1)c1ccccc1	PC-id_16505593	325.382	JAWXQBYFWKVPAW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080727
c12CN(Cc1cnn2Cc1ccc(cc1)F)CCn1ccc(C)n1	ZINC22_299758503,PC-id_118762080,MCULE-7093245233,EMOLS-id_68872161	325.383	LUSHEABSGWSYAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080728
c1(NC(=O)C(=O)NCCN(C)C)sc2c(CCC2)c1C(=O)O	ZINC22_6759363,EMOLS-id_4747704,PC-id_8071475,STOCK6S-15374,MCULE-7492983922	325.383	BJWSVKTUTYLJTC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080729
CC(C)(C)OC(=O)NCC(=O)N[C@H]1C/C(=N/O)/c2sccc12	CoCoCo_5749124,PC-id_92275212,ZINC22_104315581	325.383	QPJOCIVAEUBKKN-IOHWYASZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080730
CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C/C(=N/O)/c2sccc12	CoCoCo_5749126,PC-id_92275206,ZINC22_104315576	325.383	QPJOCIVAEUBKKN-LYAZPEITSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080731
CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C/C(=NO)/c2sccc12	NSC681952,ZINC22_5714105,CoCoCo_5749123,PC-id_98562508	325.383	QPJOCIVAEUBKKN-CHVKRKBBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080732
CC(C)(C)OC(=O)NCC(=O)N[C@H]1C/C(=NO)/c2sccc12	PC-id_98562509,CoCoCo_5749125,ZINC22_5714127	325.383	QPJOCIVAEUBKKN-LHEXSIKESA-N	00000010100000000000000010000000000000000000000000000000	25-01-080733
C([C@H](N)C(=O)Nc1sc2CCCc2c1C(=O)OCC)C(=O)N	MCULE-2839585287,EMOLS-id_328059888	325.383	KIFCASKSLMJDRE-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080734
CCOC(=O)c1c(NC(=O)CNC(=O)CN)sc2CCCc12	EMOLS-id_327943548,MCULE-7689930553	325.383	ADMKCPBREMJSEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080735
O=C1CCC(C(C1)C)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057236	325.383	XYUVHDLFOPJHCH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-080736
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCC(=O)C1C	EMOLS-id_110466283	325.383	IUJUZJUABDIVDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080737
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)CC2=NO)cc1	PC-id_387819	325.383	QPJOCIVAEUBKKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080738
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)C/C/2=N/O)cc1	PC-id_5469028	325.383	QPJOCIVAEUBKKN-YVLHZVERSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080739
c1(NC(=O)c2ccc(cc2)C#N)sc2c(CCC2)c1C(=O)NC	EMOLS-id_16827781,CoCoCo_2590256,PC-id_7474990,ZINC22_5055690,MCULE-8903324164	325.385	IYVBQBPQUOVJAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080740
c1(NC(=O)c2cccc(c2)C#N)sc2c(CCC2)c1C(=O)NC	MCULE-6119504991,EMOLS-id_334332115	325.385	VSYFXXZGRGCGIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080741
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C#N	MCULE-8236841125,EMOLS-id_322614369	325.385	HVZAQLZMOLHRTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080742
c1(NC(=O)CNC(=O)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-2623220342,EMOLS-id_322625102	325.385	ALZLYSFYAILHNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080743
c1(NC(=O)Nc2cccc(C(=O)C)c2)sc2c(CCC2)c1C#N	MCULE-3498321960,CoCoCo_6400481,EMOLS-id_13109274,PC-id_35279669,ZINC22_27923019	325.385	WGMIQTMTLLQBPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080744
Cc1oc(c2ccccn2)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1822125,PC-id_56668695	325.385	HYMJUVSXUTUBCG-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-080745
Cc1oc(c2cccnc2)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1822126,PC-id_56675560	325.385	PACITIMNPZYPTE-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-080746
Cc1onc(c2ccccc2)c1C(=O)Nc1nc2c(s1)CCC2	EMOLS-id_11917485,PC-id_4424398,MCULE-6846432511,ZINC22_6469914,CoCoCo_4164199	325.385	YDVQYJJZRRJUAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080747
CN1N=C(c2ccncc2)[C@@H](C(=O)c2cc3c(s2)CCC3)C1=O	PC-id_98431694,ZINC22_103263899	325.385	OJIBEURBTDKXQC-AWEZNQCLSA-N	00000011100000101001100010000000000000000000000000000000	25-01-080748
CN1N=C(c2ccncc2)[C@H](C(=O)c2cc3c(s2)CCC3)C1=O	ZINC22_103263902,PC-id_98431695	325.385	OJIBEURBTDKXQC-CQSZACIVSA-N	00000011100000101001100010000000000000000000000000000000	25-01-080749
CN1N=C(C(C1=O)C(=O)c1sc2c(c1)CCC2)c1ccncc1	PC-id_45834827,EMOLS-id_32045816,MCULE-1376610933	325.385	OJIBEURBTDKXQC-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-080750
O=C(Cc1coc(c2ccccc2)n1)Nc1nc2c(s1)CCC2	EMOLS-id_27372297,PC-id_40074054,CoCoCo_4319551,MCULE-8227668590,ZINC22_32836928	325.385	QJWNGLKDJUBERR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080751
O=C(OCc1ccnc(n2ccnc2)c1)c1cc2c(s1)CCC2	ZINC22_151158136,EMOLS-id_50334453,PC-id_91644442,MCULE-8797843880	325.385	SOYMJPMKCYODDT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080752
s1c2CCCc2cc1C(=O)NN=Cc1ccc(OCC#N)cc1	PC-id_84958191	325.385	CXOYXILBIKIVQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080753
s1c2CCCc2nc1NC(=O)c1onc(c2ccc(cc2)C)c1	PC-id_46427430	325.385	BJGCTGBKKQANIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080754
c1(c[nH]nc1c1ccccc1)C(=O)NCc1cn2c(SCC2)n1	EMOLS-id_49653172,PC-id_74237087,ZINC22_97514406,MCULE-5890330120	325.388	JNBCYHYFQSUSTQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080755
c1(C(=O)Nc2nnc(Cc3ccccc3)s2)c2CCCc2[nH]n1	MCULE-6371927157,EMOLS-id_323258032	325.388	PDYWPNHIEJEMEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080756
c1(NC(=O)c2ccc(cc2)n2ccnc2)n(C)nc2CSCc12	EMOLS-id_316174287,MCULE-6010981767,PC-id_134701895,ZINC22_1529133747	325.388	GCJRCUUDHOIFQN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080757
Cc1ccccc1c1c(snn1)C(=O)NC1CCn2c1ncc2	PC-id_136565330,MCULE-3146011309,EMOLS-id_316942517	325.388	HXNOXFRTLZTUIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080758
Cc1ccccc1c1nnsc1C(=O)N[C@@H]1CCn2ccnc12	ZINC22_820941894	325.388	HXNOXFRTLZTUIK-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080759
Cc1ccccc1c1nnsc1C(=O)N[C@H]1CCn2ccnc12	ZINC22_820941895	325.388	HXNOXFRTLZTUIK-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080760
CCCCc1cccc(c1)C(=O)c1c(C)cc2n1CCC2C(=O)O	SCHEMBL11603492,PC-id_20351585	325.402	HSKLNZOHGZMYKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080783
Cc1nn(c2ccccc2)nc1C(=O)Nc1nc2c(s1)CCC2	MCULE-6039884999,ZINC22_15636877,EMOLS-id_44517986,PC-id_26723361	325.388	ZBJQLGKNDOZJDD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080761
CN1Cc2c(C1)sc(n2)CN=Nc1ccc(cc1)c1cnco1	PC-id_91545250	325.388	NVHNXHJPNXGHOT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080762
O=C(c1cccs1)Nc1n[nH]c2c1CN(C2)Cc1ccccn1	PC-id_11174762,SCHEMBL13382941	325.388	MKCKRSRRPHCIMK-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-080763
O=C(c1cn2c(n1)CCC2)NCc1scc(n1)c1ccccn1	EMOLS-id_316733825	325.388	NILZILQCHSOBAN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080764
O=C(c1cnc(s1)c1ccccn1)NCc1cnc2n1CCC2	EMOLS-id_318926566	325.388	FUMIYNDNLJGLQL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080765
O=C(c1cnc(s1)c1ccccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319417602	325.388	ZIBSWSQZIUARLY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080766
O=C(c1cnc(s1)c1cccnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319987489,MCULE-8092400194	325.388	OEFRPUDSGGUBMF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080767
O=C(c1cnn2c1CCC2)NCc1scc(n1)c1ccccn1	EMOLS-id_320185676,MCULE-2419042070	325.388	SKNDIPUWCCDDAU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080768
O=C(c1csc(n1)c1ccccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_320276530,MCULE-8926064776	325.388	PNZOGXDXDICROX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080769
O=C(c1csc(n1)c1cccnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319029824	325.388	NIOWKEQRAGQFHN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080770
O=C(c1sc2c(c1)CCC2)Nc1ncn(n1)Cc1cccnc1	MCULE-1644186437,EMOLS-id_35750517,PC-id_53551411	325.388	QMJWIVAJWXOLSO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080771
O=C(Nc1nc2c(s1)CCC2)c1cn(Cc2ccccc2)nn1	PC-id_33041047,EMOLS-id_30657521,MCULE-5146999458,ZINC22_25769341	325.388	PRHMISDIYBAIAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080772
O=C(NCc1cc2c(s1)CCC2)c1ccnc(n2cncn2)c1	EMOLS-id_48780952,MCULE-8554574628,ZINC22_58314132,PC-id_51095278	325.388	VFLGCKAZQWJIHC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080773
O=C(NCc1nc(c2ccccn2)n[nH]1)c1cc2c(s1)CCC2	ZINC22_575143921,MCULE-3966963261,EMOLS-id_316181796	325.388	YVFZFSZFQKHXNH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080774
s1c2CCCc2cc1C(=O)Nc1cc(c2n(nnn2)C)ccc1	PC-id_51317873	325.388	AUNXWYQIPHAXCF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080775
s1c2CCCc2nc1NC(=O)c1ccc(Cn2ncnc2)cc1	PC-id_33041030	325.388	SWZJOVSJVIVAMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080776
s1c2CN(Cc2nc1C=NNc1ccc(cc1)c1ocnc1)C	PC-id_58767209	325.388	AYUPMCDMYDAEGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080777
s1c2CCCc2cc1C(=O)Nc1c(SC(F)F)cccc1	PC-id_34749628	325.397	VSANVYICRPBDLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080778
CCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OC(C)C	SCHEMBL11601857,PC-id_13780962	325.402	JMAGYIIHUCHLOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080779
CCc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC(C)C	PC-id_20351627,SCHEMBL11602154	325.402	XEKQZUSWYBUGEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080780
CCCc1cc2n(c1C(=O)c1ccc(cc1)CC)CCC2C(=O)O	PC-id_20351660,SCHEMBL11602801	325.402	BISHQXYPIQUVLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080781
CCCCCC1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)O	PC-id_144698264	325.402	MMAQCGDABLSQCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080784
CCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_11624002,SCHEMBL13109324	325.402	NGQQHLJTTPUAFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080785
CC(CCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_20351622,SCHEMBL11607402	325.402	DBYXOIHUJPQAOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080786
CCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C	PC-id_20351664,SCHEMBL11603322	325.402	FIIDSZYYRSJXOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080787
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1cccc(c1)C)C)C	SCHEMBL11600788,PC-id_20351668	325.402	NTGPRVWFUWVBQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080788
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C)C)C	SCHEMBL11604539,PC-id_13780958	325.402	AFGHOEOAJIFTNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080789
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1C)C)C	SCHEMBL11605065,PC-id_20351599	325.402	FGCARFHOGVSCFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080790
COC(=O)c1[nH]c2c(c1)C(CC2)Cc1cccc(c1)C1CCCO1	PC-id_66873799,SCHEMBL1004903	325.402	CBTUHQLRTAKZIH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-080791
COC(=O)c1[nH]c2c(c1)C(CC2)Cc1cccc(c1)C1CCOC1	PC-id_59180060,SCHEMBL2077101	325.402	ZPZJUJVTHZAGTN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-080792
O=C1C(C(c2c1n(cc2)Cc1ccccc1)C(C)C)C(=O)OCC	PC-id_75301195	325.402	XBIFSZCBBVDDAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080793
Oc1ccc(cc1)CC1CCCCN1C(=O)c1occ2c1CCC2	MCULE-5652966987	325.402	PWGYNQMOSRJEFC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-080794
O=C1[C@@H]([C@H](c2c1n(cc2)Cc1ccccc1)C(C)C)C(=O)OCC	PC-id_49840339	325.402	XBIFSZCBBVDDAK-DLBZAZTESA-N	00000010100000110000000010000000000000000000000000000000	25-01-080795
OC(=O)C1CCn2c1ccc2C(=O)CCCCCc1ccccc1	PC-id_85749639	325.402	RJNQGEWBARSNPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080796
Cc1oc(c(c1)S(=O)(=O)NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_111546922	325.403	YNOSFZFAEQKOIW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-080797
c12CN(Cc1nn(CC1CCCC1)c2)C(=O)OCc1ccccc1	MCULE-3857572768,EMOLS-id_324339811	325.405	HBJCKTUASNOFOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080798
c1(c2CCCc2[nH]n1)C(=O)N1CCC(Cc2ccc(cc2)CO)C1	MCULE-4853077671,EMOLS-id_46050009,PC-id_72872300	325.405	SLFAONQGPMSVEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080799
C1Cc2c(C1)[nH]nc2C(=O)NC(Cc1ccccc1)C1CC(C1)O	PC-id_91762454	325.405	JRNPIMFHBKMXIS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080800
C1CCC(CC1)(CNC(=O)c1nn2CCOc2c1)c1ccccc1	PC-id_91959818	325.405	CSTADFGNARVQQZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080801
c1(CN(C)C(=O)c2cccc(c2)OCC(=C)C)[nH]nc2CCCc12	MCULE-6694869004,EMOLS-id_32228234,PC-id_50975500,ZINC22_55343977	325.405	XBYDPFPGHYQSLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080802
c1(C(=O)NC2(CCCC2)c2ccccc2OC)c2CCCc2[nH]n1	EMOLS-id_295694,ZINC22_12115981,AEM-11114410,MCULE-6187472548,PC-id_16668197	325.405	IOBSKHVNISYYJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080803
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)OCC2CC2)n1	EMOLS-id_331034632,MCULE-6124127440	325.405	GIQGBDNTFFOOOM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-080804
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)OCC1CC1	EMOLS-id_331020721,MCULE-1338965681	325.405	SMIMTCUQQPSTAQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-080805
Cc1c2n(CCO2)nc1C(=O)N1CCC(CC1)Cc1ccccc1	PC-id_91959990	325.405	QBZFMDNNTOHLNN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080806
Cc1ccc(c(c1)C)C1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-1345380331,PC-id_71929481,EMOLS-id_45653594	325.405	NCVUGFBDPPGULK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080807
Cc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)O)Cc1cnc2n1CCC2	EMOLS-id_318381727,MCULE-7956300204	325.405	RSMUVJVNNAPIBR-DLBZAZTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-080808
Cc1ccccc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](C)CO1	PC-id_97574118,ZINC22_96426689	325.405	LNJJSTJRPOVPEM-CXAGYDPISA-N	00000010100010110001100010000000000000000000000000000000	25-01-080809
Cc1ccccc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](C)CO1	ZINC22_96426688,PC-id_97574117	325.405	LNJJSTJRPOVPEM-DYVFJYSZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080810
Cc1ccccc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](C)CO1	ZINC22_96426690,PC-id_97574119	325.405	LNJJSTJRPOVPEM-GUYCJALGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080811
Cc1ccccc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](C)CO1	ZINC22_96426691,PC-id_97574120	325.405	LNJJSTJRPOVPEM-SUMWQHHRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080812
Cc1ccc(cc1)[C@@H]1OCCC[C@H]1NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318675660	325.405	VLRWXJJTDUZQKU-AEFFLSMTSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080813
Cc1cc(C)c(c(c1)C)C(=O)CCCC(=O)N1CCn2c1ncc2	EMOLS-id_279043930	325.405	RREMBAKAIIMHKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080814
Cc1ccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)c(C)c1	PC-id_97069781,ZINC22_89612107	325.405	NCVUGFBDPPGULK-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080815
Cc1ccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)c(C)c1	ZINC22_89612105,PC-id_97069780	325.405	NCVUGFBDPPGULK-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080816
Cc1cccc(n1)NCC1CCCN1C(=O)c1occ2c1CCC2	EMOLS-id_318714214,MCULE-8902044675	325.405	BUIWYIDVIZVTPA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-080817
Cc1ccc(C(=O)CCC(=O)Nc2c3c(nn2C)CCC3)cc1C	MCULE-4996200481,ZINC22_48302849,PC-id_47074583,EMOLS-id_32093620	325.405	AQBWSGCMQVPWOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080818
CC1(C)[C@@H](NC(=O)c2cc3n(n2)CCC3)C[C@H]1Oc1ccccc1	EMOLS-id_316158755,MCULE-6943525961,ZINC22_519580954	325.405	UBKLTNFHHZKEEJ-DLBZAZTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-080819
CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2	ZINC22_96403643,PC-id_97557719	325.405	UXOSUBMQMXWXEM-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080820
CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1n[nH]c2c1CCC2	ZINC22_96403644,PC-id_97557720	325.405	UXOSUBMQMXWXEM-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080821
CC1COC(CN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1C	EMOLS-id_49050973,PC-id_71998492,MCULE-9998930812	325.405	LNJJSTJRPOVPEM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080822
CCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261669	325.405	KRTBRPHQWGFTPL-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080823
C=CC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)Cc1cnn2c1CCC2	ZINC22_1875375569	325.405	FARJUBMITVLPNR-BBRMVZONSA-N	00100010101000000001100010000000000000000000000000000000	25-01-080824
C=CC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)Cc1cnn2c1CCC2	ZINC22_1875375570	325.405	FARJUBMITVLPNR-CJNGLKHVSA-N	00100010101000000001100010000000000000000000000000000000	25-01-080825
O=C(c1n[nH]c2c1CCC2)NC1CCC(CC1)Oc1ccccc1	PC-id_145901655	325.405	KJTPZRUCOJCDSH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080869
C=CC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)Cc1cnn2c1CCC2	ZINC22_1875375571	325.405	FARJUBMITVLPNR-CZUORRHYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-080826
C=CC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)Cc1cnn2c1CCC2	ZINC22_1875375572	325.405	FARJUBMITVLPNR-XJKSGUPXSA-N	00100010101000000001100010000000000000000000000000000000	25-01-080827
CC(=O)NCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2432642261,EMOLS-id_328216182	325.405	YABWQHDYMPWEAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080828
COc1ccc(cc1)C1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318787396	325.405	JPSHJQUVFIOERT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-080829
COc1ccc(cc1)C1(CCCC1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318351982	325.405	NCWYHBSSYYUJHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080830
COc1cccc(c1)C1(CCCC1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318352494	325.405	QCQNRDASVWOEOW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080831
COc1ccc(cc1)C1(CCCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98157516	325.405	UYMHOMJSNWMVDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080832
COc1ccccc1C1CCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318478599	325.405	AQFRCGQYTONKOD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080833
COc1ccc(cc1)C(C1CCC1)NC(=O)c1cn2CCCc2n1	PC-id_136566118,EMOLS-id_316988340,MCULE-2298773229	325.405	JMDOWILMOXKLCI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080834
COc1ccc(cc1)C(C1CCC1)NC(=O)c1cnn2c1CCC2	MCULE-4630694921,EMOLS-id_316986037	325.405	JHPPREWCZJMJSX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080835
COc1ccc(cc1)C(C1CCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_316986293,PC-id_136566119,MCULE-9931230578	325.405	QCIFIBJBGPDIGO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080836
COc1ccc([C@H](NC(=O)c2cc3n(n2)CCC3)C2CCC2)cc1	ZINC22_885404675	325.405	QCIFIBJBGPDIGO-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080837
COc1ccc([C@@H](NC(=O)c2cc3n(n2)CCC3)C2CCC2)cc1	ZINC22_885404676	325.405	QCIFIBJBGPDIGO-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080838
COc1ccc([C@H](NC(=O)c2cn3c(n2)CCC3)C2CCC2)cc1	ZINC22_885402687	325.405	JMDOWILMOXKLCI-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080839
COc1ccc([C@@H](NC(=O)c2cn3c(n2)CCC3)C2CCC2)cc1	ZINC22_885402688	325.405	JMDOWILMOXKLCI-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080840
COc1ccc([C@H](NC(=O)c2cnn3c2CCC3)C2CCC2)cc1	ZINC22_885404101	325.405	JHPPREWCZJMJSX-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080841
COc1ccc([C@@H](NC(=O)c2cnn3c2CCC3)C2CCC2)cc1	ZINC22_885404102	325.405	JHPPREWCZJMJSX-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080842
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCNC=O	EMOLS-id_328216181,MCULE-9731981312	325.405	QTWZXYHVYIJCDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-080843
Nc1ncc(c(c1)C)C1CCN(CC1)C(=O)c1occ2c1CCC2	MCULE-3739479926,EMOLS-id_319938768	325.405	REARZFBDRALYHI-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-080844
O1CC(N(CC1c1ccccc1)C(=O)c1n[nH]c2c1CCC2)(C)C	PC-id_72024386,MCULE-5994627133,EMOLS-id_48997784	325.405	UXOSUBMQMXWXEM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080845
OC1CC(C1)[C@@H](NC(=O)c1n[nH]c2c1CCC2)Cc1ccccc1	PC-id_100013651	325.405	JRNPIMFHBKMXIS-KVULBXGLSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080846
OC1CC(C1)[C@H](NC(=O)c1n[nH]c2c1CCC2)Cc1ccccc1	PC-id_100013657	325.405	JRNPIMFHBKMXIS-MQBCKMQZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080847
O=C(c1cc2n(n1)CCO2)NCC1CCC(CC1)c1ccccc1	EMOLS-id_99573397	325.405	FGFXYHCBKQZDAY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080848
O=C(C1CCc2c1[nH]nc2)NC1CCC(CC1)Oc1ccccc1	PC-id_145901672	325.405	FZLVZJQCSIMZFJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080849
O=C(C1CCc2c1[nH]nc2)N[C@@H]1CC[C@H](CC1)Oc1ccccc1	EMOLS-id_320396445,MCULE-7657591249	325.405	FZLVZJQCSIMZFJ-SYPQHRIQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080850
OC(c1ccccc1)C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_110895355	325.405	WCFQUTNAJANUOB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080851
O=C(c1ccc(cc1)C1CCOCC1)NC1CC(n2c1ncc2)C	MCULE-4997209235,EMOLS-id_316467821	325.405	VBTPCXVZSXGKDE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080852
O=C(c1ccc(cc1)C1CCOCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_316442505,MCULE-9092529404	325.405	UVFOKQOKRQSESV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080853
O=C(c1ccc(cc1)C1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318878255	325.405	KJYOPHRCUMACHD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080854
O=C(c1ccc(cc1)C1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319167067	325.405	AKSJXHCOGSWLDH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080855
OC(c1ccccc1)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_111472262	325.405	NPOFXUIPCROSMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080856
O=C(c1cccc(c1)OC1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_317968078	325.405	CQGXYATWXVJGBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080857
O=C(c1ccccc1OC1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_318806753	325.405	VHFRLCCEBDOOFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080858
O=C(c1cccc(c1)OC1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319284379	325.405	BBIAXQBLYPJJDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080859
O=C(c1cccc(c1)OC1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318870392	325.405	NVPXQXDAQZJJGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080860
OC(C1CCCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_316729265	325.405	DGTOLKWTICVTLY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080861
O(CC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_48236986,MCULE-3327345322,PC-id_75372249	325.405	LAMJREJGLRMZLH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080862
O=C(c1cnc2n1CCC2)NC1(CCOCC1)Cc1ccccc1	EMOLS-id_318007809	325.405	HTBPRKSWPPWFEV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080863
O=C(c1cnn2c1CCC2)NC(c1ccccc1)C1CCOCC1	EMOLS-id_318441761	325.405	BJYDFQXGFIGLKC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080864
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](COc2ccccc2)C1	PC-id_97214686,ZINC22_95398547	325.405	LAMJREJGLRMZLH-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080865
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](COc2ccccc2)C1	ZINC22_95398546,PC-id_97214685	325.405	LAMJREJGLRMZLH-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080866
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](Cc2ccc(CO)cc2)C1	PC-id_97124439,ZINC22_91562920	325.405	SLFAONQGPMSVEY-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080867
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](Cc2ccc(CO)cc2)C1	ZINC22_91562921,PC-id_97124440	325.405	SLFAONQGPMSVEY-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080868
O=C(c1n[nH]c2c1CCC2)NCC1(CCOCC1)c1ccccc1	EMOLS-id_98037969	325.405	HXEPZENXAHCAHT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080870
O=C(c1occ2c1CCC2)N1CCN(CCc2ccncc2)CC1	EMOLS-id_316955992,MCULE-2336293759,ZINC22_636293945,PC-id_136558470	325.405	VBBAASKOJWNADN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080871
O=C([C@@H]1CC[C@@H](O1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_320152951,MCULE-5907109157	325.405	XNEAMXSBURYXMA-SJORKVTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-080872
O=C([C@@H]1COCC[C@@H]1c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318801008	325.405	VVPNBZRQKPWCFD-IAGOWNOFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080873
O[C@H]1C[C@@H](C1)C(Cc1ccccc1)NC(=O)c1n[nH]c2CCCc12	EMOLS-id_55609727	325.405	JRNPIMFHBKMXIS-KDMJMNFUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080874
O=C(N1Cc2c(C1)cnn2C)Cc1ccccc1OC1CCCC1	EMOLS-id_318186944	325.405	PQAMXYRZBODUNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080875
O=C(N1CCCCC1C(c1ccccc1)O)c1cn2c(n1)CCC2	EMOLS-id_316680147	325.405	HGOPKFZBLCADKF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080876
O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1n[nH]c2c1CCC2	EMOLS-id_320395931,MCULE-2297256988,ZINC22_1875305178	325.405	KJTPZRUCOJCDSH-CTYIDZIISA-N	00000010100010110001000010000000000000000000000000000000	25-01-080877
O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@@H]1CCc2c[nH]nc12	ZINC22_1875305077	325.405	FZLVZJQCSIMZFJ-DJIMGWMZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080878
O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@H]1CCc2c[nH]nc12	ZINC22_1875305078	325.405	FZLVZJQCSIMZFJ-XIRDDKMYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080879
O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1n[nH]c2c1CCC2	ZINC22_252536862	325.405	JRNPIMFHBKMXIS-CKEIUWERSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080880
O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1n[nH]c2c1CCC2	ZINC22_252536863	325.405	JRNPIMFHBKMXIS-ZQIUZPCESA-N	00001010100000110001000010000000000000000000000000000000	25-01-080881
OC(=O)c1ccccc1C1CCN(CC1)Cc1nn2c(c1)CCC2	EMOLS-id_318201214,MCULE-2588240127	325.405	NFWNKPYTIGYTOM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080882
OC(=O)C1(CCN(CC1)Cc1cnc2n1CCC2)c1ccccc1	MCULE-5262096187	325.405	LFSITRAENHYLMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080883
OC(=O)C1CN(CC(C1)c1ccccc1)Cc1cnc2n1CCC2	MCULE-6883311782,EMOLS-id_318695785	325.405	JYJURDQNXWMAMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080884
OC(=O)C1N(CCC1c1cccc(c1)C)Cc1cnc2n1CCC2	EMOLS-id_318550628,MCULE-8678548410	325.405	IWLSCXWTTPRJDH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080885
OC(=O)C1N(CCC1c1ccc(cc1)C)Cc1cnc2n1CCC2	MCULE-5657599008,EMOLS-id_318623085	325.405	SGUPGOBRWOGMDP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080886
OC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)C)Cc1cnc2n1CCC2	EMOLS-id_318462447,MCULE-9116130925	325.405	MRQPZYYOSPCNIU-DLBZAZTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-080887
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCC(=O)N	MCULE-8346344584,EMOLS-id_186658091	325.406	VFKBQDGRGOFCRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080888
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)C(C(=O)N)C	MCULE-7836138994,EMOLS-id_186658884	325.406	PEPBMGOEPBRPBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080889
Cc1cc(C)c(S(=O)(=O)NC(=O)c2cnn3c2CCC3)s1	ZINC22_835514487,MCULE-7483189180,EMOLS-id_316923243	325.406	JYUHGGOXMXGVKH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080890
Cc1cc(S(=O)(=O)NC(=O)c2cn3c(n2)CCC3)sc1C	EMOLS-id_112098842,MCULE-7619219029,ZINC22_408498458	325.406	KYRIBKYBYMWYGQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080891
Cc1scc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)c1C	PC-id_136541032,EMOLS-id_110375524,ZINC22_407999299,MCULE-9007007546	325.406	VMNYLAYAIVXOLQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080892
CCOC(=O)C1CCc2c1nc(s2)NCc1csc(=O)[nH]1	PC-id_106384046	325.406	HNUJPQACNDRMSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080893
Cn1nc(c(c1)S(=O)(=O)NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_111972637	325.406	RRBDNCSIFXTXRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080894
COc1ncc(cc1C)S(=O)(=O)N1Cc2c(C1)nc(s2)C	EMOLS-id_319386669	325.406	YQMILGFRBPFZFE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080895
O=C(c1cc2n(n1)CCC2)NS(=O)(=O)c1sc(c(c1)C)C	EMOLS-id_112078970	325.406	UASADUXBSDLZMI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080896
O=C(c1ccc(s1)S(=O)(=O)C)NCc1cnc2n1CCC2	MCULE-5849881428,EMOLS-id_320307589	325.406	MZPSUUWNVFGQGC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080897
O=C(c1cnn2c1CCC2)NS(=O)(=O)c1sc(c(c1)C)C	EMOLS-id_112078973	325.406	VCWOBLBPMJQUCC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080898
O=C(c1csc(c1)S(=O)(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318924033	325.406	BBWDDUSHIDJYEW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080899
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1cnn(c1C)C	EMOLS-id_112065568	325.406	NEBCAZDSNRWOKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080900
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1nc(n(c1)C)C	EMOLS-id_112092866	325.406	IAEFGAFOVMFMSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080901
O=C(c1sc(c(c1)C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110450741	325.406	YKGFKLZDICHGNC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080902
O=C(NCCS(=O)(=O)c1cccs1)c1cnn2c1CCC2	MCULE-3992213666,ZINC22_1615626236,EMOLS-id_316527983	325.406	GGSOOIVEFSINFX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-080903
s1c2CCCc2cc1C(=O)NNC(=O)CN1CCSC1=O	PC-id_27684648	325.406	ULRLSTCIDVUOBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080904
s1c2CCCc2cc1C(=O)NNC(=O)CN1CSCC1=O	PC-id_27684330	325.406	XLZOOPNTIYDFFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-080905
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)c(OC)cc1	PC-id_61508001	325.406	GDLDMJBQGIETSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080906
s1c2CCCc2nc1NS(=O)(=O)c1cc(OC)c(N)cc1	PC-id_81440829	325.406	AYGFOKHXTHYFGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080907
s1c2CCCc2nc1NS(=O)(=O)c1c(N)cc(OC)cc1	PC-id_61508162	325.406	IQQTVCSGTZAKIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080908
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)NC	MCULE-2824408090,EMOLS-id_186637299	325.407	VASLUEOCIKECLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080909
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC[NH+](C)C)C(=O)N	PC-id_8057196	325.407	DBNZNJCJIGGHBT-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-080910
s1c2CCCc2nc1NS(=O)(=O)c1c(OC)ccc(N)c1	PC-id_61508003	325.407	ULSDAJRZYVPKTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080911
s1c2CCCc2nc1NS(=O)(=O)c1c(OC)cc(N)cc1	PC-id_61507962	325.407	CDHXZIRARYRKFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080912
C1Cc2cc(nn2C1)C(=O)NC1CCC(CC1)Nc1ccccn1	PC-id_136583321	325.408	YOYUQSLICQZEKK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080913
C1Cc2c(C(=O)NN=Cc3ccc(N(CC)CC)cc3)n[nH]c2C1	MCULE-5073224381,PC-id_2326354	325.408	FRSPMMKQMYCXDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080914
C1CC(CNC1)c1cccc(c1)C(=O)NCc1nnc2n1CCC2	PC-id_86286932	325.408	FKTKSRQYBSDLCR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080915
c1(C(=O)N2CCN(CC2)CCc2ccncc2)c2CCCc2[nH]n1	MCULE-8935160356,EMOLS-id_323253695	325.408	UITWWWYLDXPKCS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080916
c1(C(=O)Nc2ccc(cc2)N2CCN(CC2)C)c2CCCc2[nH]n1	MCULE-7557365722,EMOLS-id_179744882,PC-id_110388938	325.408	QIUNAWSMJJCTJA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080917
c1(C(=O)Nc2ccc(cc2)N2CCN(CC2)C)cn2c(CCC2)n1	EMOLS-id_321296860,MCULE-7570373660	325.408	RJVFXONZQNUMJE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080918
c1(C(=O)NC2CCN(CC2)Cc2cccnc2)c2CCCc2[nH]n1	EMOLS-id_323260336,MCULE-3548969486	325.408	WNUWNHMUAGUKKT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080919
Cc1ccccc1C1(CNC(=O)NCc2nnc3n2CCC3)CC1	MCULE-1415700571,EMOLS-id_45645850,PC-id_71934179,ZINC22_89689210	325.408	KRGQIAGYKCOZJQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080920
Cc1ccc(cc1)CN1CCC(C1=O)NC1CC(n2c1ncn2)C	EMOLS-id_318507992,MCULE-1503691855	325.408	HEZQXBBJZMADFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080921
Cc1ccccc1CN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319145989	325.408	QFKPIDVKZGVPNT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080922
Cc1ccc(cc1)N1CCCC(C1=O)NC1CC(n2c1ncn2)C	MCULE-6677600600,EMOLS-id_318442322	325.408	UYRQGJHPZPIRFN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080923
Cc1cccc(n1)NCC1CCCN1C(=O)c1cnc2n1CCC2	EMOLS-id_318802460,MCULE-9357716051	325.408	YMDWMXCTLAHBIH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080924
Cc1cccc(n1)NCC1CCCN1C(=O)c1cnn2c1CCC2	MCULE-4307935135,EMOLS-id_318614763	325.408	RWIXTFJDOOTFPO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080925
Cc1cccc(n1)NCC1CCCN1C(=O)c1nn2c(c1)CCC2	MCULE-7374546305,EMOLS-id_318812956	325.408	ANBIHLDHICDWBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080926
Cc1ccc(nc1)N[C@@H]1CCC[C@@H](C1)C(=O)N1CCn2c1ncc2	EMOLS-id_319529302	325.408	ITTPOSGHAJAARM-LSDHHAIUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080927
CC1CCN(CC1)c1cccc(c1)NC(=O)N1CCn2c1ncc2	EMOLS-id_319819340	325.408	SKCUZMWVYVVFIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080928
Cc1ccnc(C2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)n1	EMOLS-id_316993656,ZINC22_907355674,MCULE-4652047256,PC-id_136561135	325.408	WGWQMLYNYHPIFQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-080929
C[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1nnc2n1CCC2	PC-id_97211818,ZINC22_95394017	325.408	DWUZFRAHZTUXGQ-CYBMUJFWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080930
C[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1nnc2n1CCC2	ZINC22_95394016,PC-id_97211817	325.408	DWUZFRAHZTUXGQ-ZDUSSCGKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080931
CN1CCCC(C1=O)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-7898128750,EMOLS-id_318077667	325.408	LGAMOPKMLJJJNK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080932
CN1CC[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1cccnc1	MCULE-5654957529,EMOLS-id_112046730,ZINC22_328620147	325.408	GTAQDAWMKZFSGJ-GUYCJALGSA-N	00000010100000101001100010000000000000000000000000000000	25-01-080933
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccccn1)C2	PC-id_97519213,EMOLS-id_44369796,ZINC22_96259124	325.408	SBTWSBXJQSMXGF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080934
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccncc1)C2	PC-id_97405334,ZINC22_96084508,EMOLS-id_46182025	325.408	LIGJLIOKCVWPGV-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080935
CN(C(=O)C1(CCCN1)c1ccccc1)Cc1nnc2n1CCC2	EMOLS-id_319940086,MCULE-7884396690	325.408	KPBYEAXHNREESC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080936
n12CCCc1nnc2CNC(=O)CN1CCC(c2ccccc2)C1	EMOLS-id_50529353,PC-id_90648305,MCULE-9065226605	325.408	NAFZLCBNZCWFFT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080937
n12nc(nc1sc(=Cc1ccccc1)c2=O)Cc1cccs1	MCULE-9125153599	325.408	ALGTVNYUZNLTTM-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-080938
n12nc(nc1sc(=Cc1cccs1)c2=O)Cc1ccccc1	MCULE-2806134708	325.408	XNHLLXMBSQUERU-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-080939
n12nc(nc1sc(=Cc1ccsc1)c2=O)Cc1ccccc1	MCULE-1874448364	325.408	SAGHXBNBDQOGFR-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-080940
n1c(CNC2CCN(CC2)C(=O)c2ccncc2)c2c(CCC2)[nH]1	EMOLS-id_316271149,MCULE-9238924509,ZINC22_1506406419	325.408	IFDIGZPPCJYSOB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080941
Nc1ncc(c(c1)C)C1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_318789776	325.408	MCTPUUJKTDHYDQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-080942
Nc1ncc(c(c1)C)C1CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_320235307,MCULE-1588372549	325.408	QVVFYORDFJHQJC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-080943
NCC1(CCN(CC1)C(=O)C1NCc2c1c[nH]n2)c1ccccc1	EMOLS-id_319819993,MCULE-7563826995	325.408	WMIQFBFONJYPES-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080944
O=C1C(CCCN1c1ccccc1C)NC1CC(n2c1ncn2)C	MCULE-1923522535,EMOLS-id_318544622	325.408	XPBGWOREPXPSFX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080945
O=C1C(CCCN1Cc1ccccc1)NC1CC(n2c1ncn2)C	MCULE-8932589773,EMOLS-id_318435202	325.408	MQOPXUYDIMKYFL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080946
O=C1CCCN1c1cccc(c1)C(NC1CC(n2c1ncn2)C)C	MCULE-7795601656,EMOLS-id_318486454	325.408	QUNFHDKGKFKNCU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080947
O=C1CCCN1Cc1ccccc1CNC1CC(n2c1ncn2)C	EMOLS-id_319041024	325.408	ZXXDFFWWFUIPFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080948
O=C1CCCN1CC(c1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_320157914,MCULE-8872918487	325.408	LCGQBWFVRRNRFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080949
O=c1n2nc(Cc3ccccc3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324835067	325.408	SAGHXBNBDQOGFR-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-080950
O=c1n2nc(Cc3cccs3)nc2s/c/1=Cc1ccccc1	EMOLS-id_324833017	325.408	ALGTVNYUZNLTTM-LCYFTJDESA-N	00000000100100110001000010000000000000000000000000000000	25-01-080951
O=C(C1CCC1)Nc1cccc(c1)CNC1CC(n2c1ncn2)C	EMOLS-id_279081506	325.408	WWIXBCLNWACCRA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-080952
O=C(c1cccc(c1C)NC1CC(n2c1ncn2)C)N1CCCC1	EMOLS-id_318566193,MCULE-9606248611	325.408	KFZCPJINLYPXFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080953
O=C(c1ccccc1)N1CCCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318446295,MCULE-8501071723	325.408	WDPYUYXQKWNCGA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080954
O=C(c1cccc(c1)NC1CC(n2c1ncn2)C)N1CCCCC1	EMOLS-id_318379740,MCULE-5235796935	325.408	AAWTWUFIVAWFMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080955
O=C(C1CCCN1c1ccccc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318487984	325.408	CSJNIBZHWFVBHM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080956
O=C(C1(CCCN1)c1ccccc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318963634	325.408	KCLIEGKMVISEAB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080957
O=C(c1cccnc1N1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_318954614	325.408	KACJPXZNWVLZSM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-080958
O=C(c1cccnc1N1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319618701	325.408	AVBAXHKNXFTPJU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-080959
O=C(c1ccncc1)N1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318304031,MCULE-6488020543	325.408	NZFDWTSVSJMLPG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080960
O=C(c1cnn2c1CCC2)N(C1CCNCC1)Cc1ccccn1	EMOLS-id_319436422	325.408	JKSLNVXPBMBNKS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080961
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)N(c1ccccc1)C	EMOLS-id_319162674	325.408	JDNXVQAZCLBAKY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080962
O=C(C1NCc2c1c[nH]n2)N1CCCN(CC1)Cc1ccccc1	EMOLS-id_319044270	325.408	HZOHGVVIVDHQHR-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-080963
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)c1cccc(c1C)C	EMOLS-id_320058981,MCULE-9316855602	325.408	HCKXGFMLHTUAEI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080964
O=C(C1NCc2c1c[nH]n2)Nc1ccc(cc1)CCN1CCCC1	EMOLS-id_318939459	325.408	IVVUQVHWNIIOPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080965
O=C(C1NCc2c1c[nH]n2)Nc1cccc(c1)CCN1CCCC1	EMOLS-id_319877467	325.408	WNHFDNANFYWMMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080966
O=C(C1NCc2c1c[nH]n2)Nc1cccc(c1)CN1CCCCC1	EMOLS-id_319638428	325.408	WBAWUBHIFZLIKR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-080967
O=C(C1NCc2c1c[nH]n2)N(Cc1ccccc1N1CCCC1)C	EMOLS-id_318795772	325.408	BIRCXIPUGRWHJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080968
O=C(C1NCCCC1c1ccccc1)NCc1nnc2n1CCC2	EMOLS-id_319290002	325.408	CLKRZXJSEJKPEZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080969
O=C(c1ncccc1NCC1CCC1)NC1CC(n2c1ncc2)C	EMOLS-id_319408900	325.408	KONBXOTVLQIUKA-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-080970
O=C(c1[nH]nc2c1CCC2)N[C@@H]1CCCN(C1)Cc1ccccn1	CoCoCo_1523093,CoCoCo_1523095,CoCoCo_1523097,CoCoCo_1523099	325.408	MPPAISZVOJQWJG-CQSZACIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080971
O=C(c1[nH]nc2c1CCC2)N[C@H]1CCCN(C1)Cc1ccccn1	CoCoCo_1523098,CoCoCo_1523092,CoCoCo_1523094,CoCoCo_1523096	325.408	MPPAISZVOJQWJG-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080972
O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)CC1CNCC1	MCULE-9695450048	325.408	QIZHCBMXYFFEPH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080973
O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@H]1CCNC1	ZINC22_328641117	325.408	QIZHCBMXYFFEPH-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080974
O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@@H]1CCNC1	ZINC22_328641121	325.408	QIZHCBMXYFFEPH-CQSZACIVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-080975
O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1nnc2n1CCC2	PC-id_100029756,ZINC22_218922015	325.408	NAFZLCBNZCWFFT-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080976
O=C(CN1CC[C@H](c2ccccc2)C1)NCc1nnc2n1CCC2	PC-id_100029757,ZINC22_218922083	325.408	NAFZLCBNZCWFFT-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080977
O=C(N1Cc2c(C1)cnn2C)[C@@H]1CC[C@@H](CC1)Nc1ccccn1	EMOLS-id_319953060,MCULE-3327112021	325.408	LXZPZZAFSIAIJA-OTVXOJSOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080978
O=C(N1CC(C1c1cccnc1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101422923	325.408	HQRDMVOWWVQICA-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-080979
O=C(N1CC(C1c1ccncc1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101422953	325.408	UMHZLNZQOIYCSJ-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-080980
O=C(N1CCCC1c1ccccc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318560227	325.408	WGIKHWZKAZCAAB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080981
O=C(N1CCC(CC1)c1ccncc1)NC1CC(n2c1ncc2)C	EMOLS-id_101421660	325.408	DYQSKHOYSPGQCD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-080982
O=C(N1C[C@H]([C@@H](C1)N)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101899723	325.408	AGRXRCDZYKBLFH-NTTQHLPKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-080983
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cnccn1	PC-id_92109854	325.408	DMHXCKBDNQCHKC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080984
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ncccn1	PC-id_92109964	325.408	OJHFTRCQVAMJMQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080985
O=C(NC1CCCN(C1)Cc1ncccc1)c1n[nH]c2c1CCC2	PC-id_45233061	325.408	MPPAISZVOJQWJG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080986
O=C(N(C1CCNCC1)Cc1ccccn1)c1cn2c(n1)CCC2	EMOLS-id_319489004	325.408	WEAQNNRXEZLPHM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080987
O=C(NCC1(CC1)c1ccccc1)NC(c1n2CCCc2nn1)C	EMOLS-id_48231008,MCULE-6023750005,PC-id_75370120	325.408	DWUZFRAHZTUXGQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080988
O=C(NCc1nnc2n1CCC2)N1CCC(c2ccccc2)CC1	ZINC22_48362393,MCULE-7094452628,PC-id_53499288,EMOLS-id_35718930	325.408	JTIWWAHEXTYZKO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-080989
O=C(NCCc1nnc2n1CCC2)NCC1(c2ccccc2)CC1	ZINC22_86361370,PC-id_75378318,MCULE-4513230982,EMOLS-id_48254455	325.408	NBKBBZNMJMKUFN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080990
O=C(NCCc1nnc2n1CCC2)NCc1ccc(C2CC2)cc1	EMOLS-id_53796633,ZINC22_225626077,PC-id_100702982,MCULE-3240710877	325.408	PLESUZLPRRPBTM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-080991
O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1cc2n(n1)CCC2	MCULE-4284673547,ZINC22_653032412,EMOLS-id_316919227	325.408	YOYUQSLICQZEKK-HDJSIYSDSA-N	00000010100010101001000010000000000000000000000000000000	25-01-080992
O=C(N/N=C/c1ccc(N(CC)CC)cc1)c1n[nH]c2CCCc12	PC-id_6900473	325.408	FRSPMMKQMYCXDR-XDHOZWIPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-080993
s1c2CCCc2nc1NS(=O)(=O)c1cnc(NCC)nc1	PC-id_62152393	325.41	UDJYNNPNPIFXGI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-080994
CCOC(=O)c1c(NC(=O)CCCCCO)sc2CCCc12	MCULE-5420671702,EMOLS-id_327994192	325.423	XJSLCRJLKMQSIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080995
COCCOCCN1C(=O)c2c(C1=O)c(sc2C)C(C)(C)C	PC-id_117796316,SCHEMBL16366798	325.423	NLKOFLDVYUGDHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080996
O=C(c1sc2c(c1)CCC2)NC(C(=O)O)CCOC(C)(C)C	PC-id_120231469	325.423	RJCQZPJSQLRNIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080997
s1c2c(CCC2)c(c1N(CCC)CCC(=O)O)C(=O)OCC	PC-id_82309845	325.423	DNZZJJXXUJKRFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080998
s1c2c(CCC2)c(c1N(C(C)C)CCC(=O)O)C(=O)OCC	PC-id_82310031	325.423	VNEDRNJUFOFHNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-080999
s1c2c(CCC2)c(c1N(CC(C)C(=O)O)CC)C(=O)OCC	PC-id_82310082	325.423	NEQOYKPVESUGRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081000
s1c2c(C(OC2)C)c(c1NC(=O)CC(C)(C)C)C(=O)OCC	PC-id_71530917	325.423	BEOBYMLJLQSFFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081001
CC1CC(C)CC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389747	325.426	MZMFVZJOKXMTKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081002
CC1(C)CN(C1C1CCCO1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99484627	325.426	WPBSCHQZZOIBKU-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-081003
CCC1CCCCC1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110405180	325.426	MGBXWZXCTRUDMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081004
CCCC1CCCC1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112079666	325.426	CNZIQUKXRXCOIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081005
CC[C@@H]1CC[C@H](CC1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110450726	325.426	UDDWTPONXICOGF-HAQNSBGRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081006
CC(C(=O)NS(=O)(=O)c1cnc2n1CCC2)CC1CCCC1	EMOLS-id_110466289	325.426	GURMWAXTRTYVAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081007
CCO[C@@H]1COC[C@H]1NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010851	325.426	RQTZVQPXJTYVMX-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081008
COCCN(C(=O)c1cc2c(s1)CCN2C(=O)CN(C)C)C	PC-id_97524460	325.426	XBIZKDRHCAKEPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081009
COC(C(=O)N1CCN(CC1)Cc1sc2c(n1)CCC2)OC	EMOLS-id_319692934	325.426	RHXYHVSPWLPOKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081010
O=C(c1cc2n(n1)CCC2)NS(=O)(=O)CCC1CCCCC1	EMOLS-id_112089179	325.426	KAHHRHXAYOQETA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081011
O=C(C1CCCC(C1)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110420968	325.426	BCVQLCYGEZEZNA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081012
O=C(C1CCC(CC1)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481283	325.426	ZTSNHUZHKBMTNL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081013
O=C(C1CCC(C(C1)C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112079669	325.426	QFJUWLMOUQBDRF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081014
O=C(C1CCCCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389645	325.426	IUPQEYGHEXRRGA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-081015
OCC1CC(CN1C(=O)Nc1sc2c(n1)C(CC2)(C)C)CO	MCULE-9312730727,EMOLS-id_320095103	325.426	NOIXHSDWSQTPHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081016
O=C(c1cnn2c1CCC2)NS(=O)(=O)CCC1CCCCC1	EMOLS-id_112089182	325.426	SQHNUYOCCJDJER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081017
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(O)CCOC1C	EMOLS-id_102008799	325.426	ZVPUCUINJNAVLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081018
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(O)CCOCC1	EMOLS-id_102001974	325.426	KXFDWORCYWPKIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081019
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCCC1C	EMOLS-id_110389741	325.426	OBVJGANBGXEPGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081020
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCCCC1	EMOLS-id_110389599	325.426	KKHZIAMOMFDLBB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-081021
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1(C)CCCCC1	EMOLS-id_110405153	325.426	NGCWWQVGPUGVFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081022
O=C(NS(=O)(=O)c1cnc2n1CCC2)CCC1CCCCC1	EMOLS-id_110466202	325.426	QKANZWPEFBSMJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081023
O=S(=O)(c1cnc2n1CCC2)N1CCCC1C1CCOCC1	EMOLS-id_100224079	325.426	WPJZZSHJJVNGOT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-081024
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)C1CCOCC1	EMOLS-id_100242991	325.426	VLQHQMZAZZNXDF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-081025
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)C1CCCO1	EMOLS-id_101117337	325.426	DGMPTBTYVRCHLW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-081026
O=S(=O)(c1cnc2n1CCC2)N1CCCC(C1)OCC1CC1	EMOLS-id_100577704	325.426	CPQDGGDSJRDGOF-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-081027
O=S(=O)(c1cnc2n1CCC2)N1CCOCC(C1)C1CCC1	EMOLS-id_100600786	325.426	BORYVRPSMHIHOQ-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-081028
O=S(=O)(CC1CCC(O1)C1CC1)NCc1nn2c(c1)CCC2	EMOLS-id_320102478,MCULE-2716431682	325.426	KFYXRNIYBGKZTN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-081029
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)CCC(=O)OCC	PC-id_7483964	325.426	TXNMSQSMYUAVPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081030
S1(=O)(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C1CCCC1	PC-id_5124224	325.426	YQVRTXOMVZXSAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081031
c1(cc(ccc1N(C)C)C)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328146199,MCULE-9674140784	325.428	YHQQJDSPBDKASU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081032
CN(Cc1ccccc1)CC(=O)Nc1c(C#N)c2c(CCC2)s1	EMOLS-id_11887449,CoCoCo_3564449,ZINC22_7785865,PC-id_8901424,CoCoCo_3564450,MCULE-8884196989	325.428	JPJFDGYGWLYHRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081033
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1=NCCS1	MCULE-7389168060,EMOLS-id_328223098	325.428	JJFXMQPPWLZYSF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-081034
N#Cc1c(NC(=O)Nc2ccc(cc2)C(C)C)sc2c1CCC2	CoCoCo_6642335,PC-id_35766341	325.428	BLJBLEYHOIDIGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081035
s1c2CCCc2c(c1NC(=O)CCN(c1ccccc1)C)C#N	PC-id_52546325	325.428	SSMFTXUUSHVCDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081036
s1c2CCCc2c(c1NC(=O)CNC(c1ccccc1)C)C#N	PC-id_78289159	325.428	ZAGGUEODKQEPDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081037
s1c2CCCc2c(c1NC(=O)CN[C@H](c1ccccc1)C)C#N	PC-id_2684355	325.428	ZAGGUEODKQEPDN-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081038
s1c2CCCc2c(c1NC(=O)CN[C@@H](c1ccccc1)C)C#N	PC-id_2684358	325.428	ZAGGUEODKQEPDN-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081039
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)N1CCNCC1	EMOLS-id_303002743,MCULE-5458324085,PC-id_121709358	325.43	JCAIQJACYWINHB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-081040
O=S(=O)(NC1CCCN(Cc2nnc3CCCn23)C1)C1CC1	MCULE-1005661304,EMOLS-id_324554827	325.43	MPSGKINCEWSBRP-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-081041
O=S(=O)(N[C@@H]1CCCN(Cc2nnc3n2CCC3)C1)C1CC1	ZINC22_1889115701	325.43	MPSGKINCEWSBRP-LLVKDONJSA-N	00100010100010000001000010000000000000000000000000000000	25-01-081042
O=S(=O)(N[C@H]1CCCN(Cc2nnc3n2CCC3)C1)C1CC1	ZINC22_1889115702	325.43	MPSGKINCEWSBRP-NSHDSACASA-N	00100010100010000001000010000000000000000000000000000000	25-01-081043
s1c2c(CCC2)c(c1NS(=O)(=O)c1scc(N)c1)C#N	PC-id_61298618	325.43	HWVLHTSZVFPSGO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-081044
O=C(C1C(C1(C)C)(C)C)Nc1sc2c(c1C(=O)O)CCS2	SCHEMBL4085763,PC-id_68906427	325.446	CNAMTDHVOXRNKE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-081045
O=C(c1sc2c(c1)CS(=O)(=O)C2)NCCC1=CCCCC1	PC-id_3240940,CHEMBL1331222,CoCoCo_2175366,ChEMBL-DNDi_CHEMBL1331222	325.446	YXZZDXHBBADLKA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-081046
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(CC)(C)C)C(=O)OC	PC-id_41192576	325.446	QLZWGFOEYUVODO-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-081047
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C)(C)C)C(=O)OCC	PC-id_40465498	325.446	ZQGLOFDMZQALER-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-081048
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC)C(=O)OCC	PC-id_7114348	325.446	DDAPRYGZQUYYOW-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-081049
S1CCC(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_83136701	325.446	NNJZHYXEAJSHHH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-081050
S1C(N(C(C1)C(=O)O)C(=O)c1sc2c(CCC2)c1)C(C)C	PC-id_63780839	325.446	AVPONQXGUVSTCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081051
S1C(N(C(C1)C(=O)O)C(=O)c1sc2c(CCC2)c1)CCC	PC-id_63790661	325.446	PWPQOIZYBUTOQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081052
Cc1ccccc1C1(CCOCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_318363955,MCULE-9571791864	325.448	XMVVLNPPMNFORJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081053
Cc1ccc(cc1)C1OCCCC1CNC1CC(n2c1ncc2)C	MCULE-1779592208,EMOLS-id_318158164	325.448	AKIJXLFBRXNULT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081054
CCCc1cc(ccc1C)CN1Cc2c(C1)nc(n2CC)C(=O)C	PC-id_145281882	325.448	PYPUHORBROYBLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081055
CN(C)CCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3679608392,EMOLS-id_328212597	325.448	VNVSIAIQCLUANT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081056
COc1ccc(cc1)C1(CCCCC1)CNC1CCn2c1ncc2	EMOLS-id_318010002	325.448	SCYVBVLBWVGREB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081057
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCCN	MCULE-9039241558,EMOLS-id_328216188	325.448	MNXVQUZPXITDSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081058
O=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2c1CCC2)CC	PC-id_14536052	325.448	NRCMMLCJICLHQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081059
O=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2C(CCc12)C)C	PC-id_14536080	325.448	BQEMKYJJYVNLQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081060
O=C(N(Cc1ccc(C(C)(C)C)cc1)C)c1n(nc2c1CCC2)C	PC-id_14536087	325.448	KXLSMVLLXLBLJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081061
O=C(NCc1ccc(CC(C)(C)C)cc1)c1n(nc2c1CCC2)C	PC-id_76323822	325.448	PUSKIESQNZINGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081062
O=C(NCCc1ccc(C(C)(C)C)cc1)c1n(nc2c1CCC2)C	PC-id_14536056	325.448	AFOYKJUXKTZEPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081063
c1(NC(=S)NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)N	CHEMBL1301780,PC-id_5112617,SPECS-id_AM-879/PD01039,ZINC22_6781663,ChEMBL-DNDi_CHEMBL1301780,MCULE-1388252709,EMOLS-id_42692142	325.45	HOFIIARAAGRALK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081064
c1(NC(=S)NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL1345531,MCULE-1180245817,PC-id_888575,ZINC22_462563,SPECS-id_AM-879/PD00837,EMOLS-id_42653461,CHEMBL1345531	325.45	JCZXMRZLLNTYNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081065
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCN(C)C	MCULE-5521130963,EMOLS-id_186639888	325.45	PVEBYVLNHMCSBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081066
CCCCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4503996,ZINC22_6263938	325.45	XXJFEVMPJFAVJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081067
COCCNC(=S)N1CCOC1=NC1CCc2c1scc2	PC-id_87615922	325.45	PBZMFCWZGXDFGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081068
COCCNC(=S)N1CCO/C/1=NC1CCc2c1scc2	SCHEMBL4062268	325.45	PBZMFCWZGXDFGS-SSZFMOIBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081069
CC1CC(c2n1ccn2)NCc1ccc(nc1)N1CCCCCC1	EMOLS-id_318290948,MCULE-5966238712	325.451	FQKCCTZROGNYCF-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-081070
Cc1ccccc1CN1CCC(CC1)NC1CC(n2c1ncn2)C	MCULE-4888964341,EMOLS-id_318408689	325.451	HVEZJESRVKVKMN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081071
CC1CCCCN1c1ncc(cc1C)NCc1cnc2n1CCC2	MCULE-5106745233,EMOLS-id_318192530	325.451	QOCPQOHWEGHDRL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081072
CC1CC(CN1Cc1ccccc1)NC(c1nnc2n1CCC2)C	PC-id_75437566,MCULE-1466274372,EMOLS-id_48804105	325.451	IHBJRPKIVARPAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081073
CC1CCN(CC1)c1ccc(cn1)CNC1CC(n2c1ncc2)C	MCULE-9826160597,EMOLS-id_318161130	325.451	BBVNVAFNHZZCFS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081074
CC1CN(CCC1NC1CC(n2c1ncc2)C)Cc1ccccn1	MCULE-8073367695,EMOLS-id_318276450	325.451	LRZHXUWYHDLYJO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081075
CC1CN(CCC1NC1CC(n2c1ncn2)C)Cc1ccccc1	EMOLS-id_318447105,MCULE-4307318017	325.451	IFGJNGCKZBPETR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081076
CC(c1ccccc1)N1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318650829,MCULE-6092838958	325.451	JLEQPNWOTJQYLD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081077
CC(c1nnc2n1CCC2)NC1CCCC(C1)c1ncccc1C	EMOLS-id_318198120,MCULE-3756658768	325.451	AIDKFRYHAAHASU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081078
C[C@H](N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1nnc2n1CCC2	ZINC22_95980597,PC-id_97330945	325.451	IHBJRPKIVARPAY-VYDXJSESSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081079
C[C@H](N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1nnc2n1CCC2	ZINC22_95980598,PC-id_97330946	325.451	IHBJRPKIVARPAY-ZOBUZTSGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081080
C[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1nnc2n1CCC2	ZINC22_95980599,PC-id_97330947	325.451	IHBJRPKIVARPAY-HLLBOEOZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081081
C[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1nnc2n1CCC2	ZINC22_95980600,PC-id_97330948	325.451	IHBJRPKIVARPAY-YQQAZPJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081082
CC(N1CCN(CC1)c1cccc(c1)NC1CCn2c1ncc2)C	MCULE-2723325246,EMOLS-id_318546629	325.451	MEAIALNTZCYVQL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081083
CN1CCC(CC1C)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-1669584657,EMOLS-id_318338058	325.451	CKNIJNMKQKOXSW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081084
CN1CCN(CC1)c1ccccc1CNC1CC(n2c1ncc2)C	EMOLS-id_318761360,MCULE-6498818385	325.451	HIUYZSRDBAJXAP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081085
N1CCCC(CC1)N(Cc1cc2n(n1)CCC2)Cc1ccccn1	EMOLS-id_318226715	325.451	KDDITUDTJLIPSI-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-081086
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)Cc1ccccc1	PC-id_9204471	325.468	RWHITBZXJRXKHP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-081087
CC1CC(CCN1S(=O)(=O)c1cnc2n1CCC2)C(C)(C)C	EMOLS-id_98867353	325.469	XWXOCLGATXZJHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081088
CCC1(CC)CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99955563	325.469	URIRBRBEHHYIRC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-081089
CC(C1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100224733	325.469	GBGYFFNFWMZGCU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-081090
CC(CCC1CCCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100240849	325.469	HMHKCCXMQOTVFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081091
CC(CCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100206925	325.469	LUSPRVCKWWKCOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081092
CCCS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110010	325.469	WZFKOGWWKQTBGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081093
Cn1nc(c2c1CCC2)CN(S(=O)(=O)C(C)C)C1CCCC1	PC-id_92110039	325.469	HPHLANOZZAXDHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081094
CN(S(=O)(=O)c1cnc2n1CCC2)C1CCCC1C(C)(C)C	EMOLS-id_101974045	325.469	WRZASQVVJRTZKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081095
COCC(CN1CCC(CC1)NCc1sc2c(n1)CCC2)O	PC-id_109948781	325.469	RAXRNUMQNZNCBF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081096
CSC(C)(C)CNC(=O)N[C@H](c1nnc2n1CCC2)C(C)C	PC-id_97583262,ZINC22_96440029	325.473	JWJMVPKLOCGZDR-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081097
CSC(C)(C)CNC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C	PC-id_97583263,ZINC22_96440030	325.473	JWJMVPKLOCGZDR-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081098
CSC(CNC(=O)NC(c1nnc2n1CCC2)C(C)C)(C)C	MCULE-4002082570,PC-id_71990199,EMOLS-id_49067428	325.473	JWJMVPKLOCGZDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081099
CCCCCCCCN1C(=O)c2c(C1=O)c(sc2S)CC	PC-id_145013665	325.489	ZCOLLKMFDZMOMH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081100
CCOC(=O)C1CCc2c1nc(s2)CSC1CCCCC1	PC-id_104287179	325.489	JTTRRTXLDNWUQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081101
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCCSC1	EMOLS-id_102009087	325.493	QJDXJJJAVJQWIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081102
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCSCC1	EMOLS-id_102002127	325.493	INRSMPQZLQDVBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081103
s1c2CCCc2nc1NC(=O)C(CCC)(CCC)C(=S)N	PC-id_61859075	325.493	SRFJNRYVXZBQEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081104
[Si](c1n2c(cc1)C=[N+](C2=O)Cc1ccccc1)(CC)(CC)CC	PC-id_20783447	325.5	HITIMIVIFJIIHW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-081105
[Si](C1c2c(CC1=O)cn(c2)Cc1ccccc1)(C(C)(C)C)(C)C	PC-id_10881924	325.52	PTSCLMJNIHSVEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081106
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)Cl	MCULE-8810477964,EMOLS-id_330970608	325.631	OXNHBXBBKXQBFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081107
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)Br	MCULE-6098371088,EMOLS-id_330977011	325.631	JPRGOXJTRIAZAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081108
CC1CCc2c1c(Br)nn2Cc1ccccc1Cl	MCULE-4166360581,EMOLS-id_330965247	325.631	LMWIMVTYOFEJES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081109
CC1CCc2c1c(Cl)nn2Cc1cccc(Br)c1	EMOLS-id_330974196,MCULE-6208461027	325.631	AEOSPMFHHBKZCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081110
CC1CCc2c1c(Cl)nn2Cc1ccccc1Br	MCULE-7879246891,EMOLS-id_330975988	325.631	YPNYKXQZWQGWEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081111
CC1CCc2nn(Cc3ccc(Br)cc3)c(Cl)c12	MCULE-2200608328,EMOLS-id_330958000	325.631	VNUMWIYOYFIXLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081112
CC1CCc2nn(Cc3cccc(Br)c3)c(Cl)c12	MCULE-1896484469,EMOLS-id_330959280	325.631	PYAXMHGUDRLORW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081113
CC1CCc2nn(Cc3ccccc3Br)c(Cl)c12	MCULE-3125082000,EMOLS-id_330956977	325.631	XHPVSFVCQBEACF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081114
CC1CCc2nn(Cc3ccccc3Cl)c(Br)c12	EMOLS-id_331016875,MCULE-1472970449	325.631	MBGKFPQRXGKNBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081115
CC1CCc2nn(Cc3ccc(Cl)cc3)c(Br)c12	MCULE-4306783945,EMOLS-id_331018156	325.631	QWYKELHGCAPOMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081116
N#CCc1nn2c(c1C#N)NC(=O)/C/2=NNc1ccc(cc1)Cl	NSC724307	325.713	FKMOPGFSGYPGGZ-DEDYPNTBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081117
COC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F	SCHEMBL19584357	325.723	GAGCMMGECVMNIN-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-081118
OC(c1ccc(c(c1)F)Cl)CNC(=O)c1cc2n(n1)CCO2	MCULE-1215824177,EMOLS-id_316809440	325.723	FXRBPOIHNWUUMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081119
O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cc2n(n1)CCO2	ZINC22_368248969	325.723	FXRBPOIHNWUUMY-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081120
O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1cc2n(n1)CCO2	ZINC22_368248970	325.723	FXRBPOIHNWUUMY-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081121
Clc1cc(C(=O)Nc2n3CCSc3nn2)c([N+](=O)[O-])cc1	PC-id_44007640	325.731	KKBFYIBUMLQRQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081122
Clc1c(C(=O)Nc2n3CCSc3nn2)cc([N+](=O)[O-])cc1	PC-id_44007641	325.731	NHUPHWMGLGRFOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081123
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n3CCSc3nn2)cc1	PC-id_44007642	325.731	VIABWKFJCUGMSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081124
c1(cc(F)c(cc1Cl)F)C(=O)N(C)Cc1c2CCCc2[nH]n1	ZINC22_222915673,MCULE-8047396748,EMOLS-id_55682751,PC-id_91787933	325.741	SVXHKVPDEBDRBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081125
COCc1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324898819	325.746	MABIPSKCGXZGQM-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-081126
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COC	MCULE-6354601305	325.746	MABIPSKCGXZGQM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-081127
COC(=O)c1c(NC(=O)c2ccc(o2)Cl)sc2c1CCC2	PC-id_103601770	325.767	QDJFKACLADEUMG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-081128
COC(=O)c1c(NC(=O)c2ccoc2Cl)sc2c1CCC2	PC-id_106685659,ZINC22_192394224,EMOLS-id_75989369	325.767	PEWISMLHTGWHCC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-081129
Clc1cc(NC(=O)Nc2onc3c2CSC3)c(OC)cc1	PC-id_49720631	325.771	AUQFQXRUINBHTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081130
Clc1nc2S(=O)(=O)CCn2c1C(=O)N(c1ccccc1)C	PC-id_76316616	325.771	JYSOWGQLFNJWQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081131
FC(C(c1cccc(c1)Cl)NCc1n(C)nc2c1CCC2)F	EMOLS-id_319582521	325.784	IMQGFJMKNMAELU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081132
Clc1sc2CCC(Nc3cc(ccc3F)C(=O)OC)c2c1	PC-id_81234786	325.786	FQVJBROZIOATAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081133
Clc1sc2CCC(Nc3c(ccc(F)c3)C(=O)OC)c2c1	PC-id_81234259	325.786	RNWVVEFOACDBPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081134
Clc1sc2CCC(Nc3c(cc(F)cc3)C(=O)OC)c2c1	PC-id_81234261	325.786	FGMCHPWRQRHMLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081135
Clc1sc2CCC(Nc3cc(c(F)cc3)C(=O)OC)c2c1	PC-id_81234526	325.786	AFOJCJGNCRQEPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081136
c1(NC(=O)Cc2c(cccc2F)Cl)n(C)nc2CSCc12	STOCK7S-16645,PC-id_52902831,MCULE-8067830609,ZINC22_61721903,EMOLS-id_35790859	325.789	DQZIGTBVMMYBRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081137
c12SC(=O)C(CC(=O)c3ccc(cc3)Cl)c1sc(=O)[nH]2	PC-id_16452138,MCULE-4723705282	325.791	PJOCXMSVOAEVCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081138
Clc1ccc(C(=O)C[C@@H]2c3sc(=O)[nH]c3SC2=O)cc1	PC-id_51651482,CoCoCo_6313771	325.791	PJOCXMSVOAEVCM-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081139
O=C(c1ccc(cc1)Cl)C[C@@H]1C(=O)Sc2c1sc(=O)[nH]2	CoCoCo_6313772	325.791	PJOCXMSVOAEVCM-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081140
CC1CC(c2n1ccn2)NS(=O)(=O)c1c(C)cccc1Cl	EMOLS-id_101788121,MCULE-6302344854	325.814	WXAOWZSPQSKYBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081141
Cc1ccc(cc1Cl)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320454	325.814	SBMWDAHHAYSIMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081142
Cc1ccc(c(c1)Cl)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320481	325.814	HEXSFXDJIMUUDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081143
Cc1ccc(c(c1)Cl)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98228354	325.814	JMSAYHZRMURBCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081144
Cc1ccc(c(c1)Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318871554	325.814	KTYRJOCZBUCWJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081145
Cc1ccc(cc1Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318978125	325.814	BOYGACWGUJBJHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081146
Cc1ccc(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)Cl	EMOLS-id_101318464	325.814	SRVBCEJNFXPBTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081147
Cc1ccc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)Cl	EMOLS-id_318754427	325.814	NKTSRPUSNBDORX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081148
Cc1cccc(c1S(=O)(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_319788805	325.814	FPEPAIQBZMFSIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081149
Cc1cccc(Cl)c1S(=O)(=O)Nc1c2c(nn1C)CCC2	ZINC22_333935546,EMOLS-id_101849542	325.814	JOKZJYZBNKHSEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081150
Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[C@H](C)n2ccnc12	ZINC22_333222768	325.814	WXAOWZSPQSKYBC-CMPLNLGQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081151
Cc1cccc(Cl)c1S(=O)(=O)N[C@H]1C[C@H](C)n2ccnc12	ZINC22_333222770	325.814	WXAOWZSPQSKYBC-JQWIXIFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081152
Cc1cccc(Cl)c1S(=O)(=O)N[C@H]1C[C@@H](C)n2ccnc12	ZINC22_333222771	325.814	WXAOWZSPQSKYBC-PWSUYJOCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081153
Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H](C)n2ccnc12	ZINC22_333222772	325.814	WXAOWZSPQSKYBC-ZYHUDNBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081154
Clc1ccc(c(c1)C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320466	325.814	FZEOZLMCMQJCCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081155
Clc1ccc(cc1)CS(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318044932	325.814	UARFHANXLKZQBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081156
Clc1ccc(cc1C)S(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-4368543349,EMOLS-id_320207780	325.814	VMQGNKAOHZVEDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081157
Clc1ccc(cc1S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_318367889,MCULE-3240072077	325.814	UCQQWYIIXLPAQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081158
Clc1ccc(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101320472	325.814	UUFGKSIRTLRZOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081159
Clc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318860637	325.814	NAOVHUIHPQKJOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081160
OCCn1ncc(c(c1=O)Cl)NCc1sc2c(c1)CCC2	PC-id_114434877	325.814	UKIBJCNNRWWJBC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081161
CN(Cc1ccc(Cl)s1)C(=O)NCc1nnc2n1CCC2	MCULE-2809797540,ZINC22_44895342,PC-id_45803872,EMOLS-id_31871635	325.817	IFVRXBAXKALBQZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081162
CN(Cc1nnc2n1CCC2)C(=O)NCc1ccc(Cl)s1	EMOLS-id_35721176,PC-id_53520728,ZINC22_65626333,MCULE-9604131994	325.817	SNKFBKKSBAPKQO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081163
O=C(NCCc1ccc(Cl)s1)NCc1nnc2n1CCC2	ZINC22_45386400,EMOLS-id_35718924,MCULE-7189434757,PC-id_53500964	325.817	FQBXYIYLFDBLMD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081164
Clc1c(C(C(O)c2sc3c(CCC3)c2)CN)ccc(F)c1	PC-id_65189539	325.829	BRNZDITTWXPJAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081165
Clc1c(C(C(O)c2sc3c(CCC3)c2)CN)c(F)ccc1	PC-id_65186481	325.829	DYNXQEISQLFNHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081166
Clc1c(F)c(C(C(O)c2sc3c(CCC3)c2)CN)ccc1	PC-id_82792635	325.829	BZICRAPHTQUEGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081167
Clc1sc2c(C(NC(c3cc(F)c(OC)cc3)C)CC2)c1	PC-id_81235068	325.829	SCXUYFWIKAFVQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081168
Clc1sc2c(C(NC(c3c(OC)ccc(F)c3)C)CC2)c1	PC-id_81235202	325.829	QRWUUZYKMDZJBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081169
c12CS(=O)Cc1sc(C(=O)NCc1ccccc1Cl)c2	EMOLS-id_16389475,MCULE-2037540368,PC-id_3466416	325.834	QXGAAOJKEAFYJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081170
c1(C(=O)c2cccs2)c2CCCc2sc1NC(=O)CCl	PC-id_860204,ASN-04061314,EMOLS-id_6515621,MCULE-6524368485	325.834	VJCYUOUWASEUBH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-081171
OC(=O)C1CCc2c1nc(s2)CSc1cccc(c1)Cl	PC-id_104287260	325.834	GLSOFFZXFVOWPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081172
OC(=O)C1CCc2c1nc(s2)CSc1ccc(cc1)Cl	PC-id_104287301	325.834	RUOUZRIISXTHPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081173
OC(=O)C1CCc2c1nc(s2)CSc1ccccc1Cl	PC-id_104287377	325.834	CZVURVQFIIRJES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081174
O=[S@]1Cc2c(C1)cc(s2)C(=O)NCc1ccccc1Cl	CoCoCo_2684469,PC-id_92192693	325.834	QXGAAOJKEAFYJD-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081175
O=[S@@]1Cc2c(C1)cc(s2)C(=O)NCc1ccccc1Cl	PC-id_92220823,CoCoCo_2684470	325.834	QXGAAOJKEAFYJD-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081176
CN(CCn1ncc(c1C(c1sc2c(c1)CCC2)O)Cl)C	PC-id_115834199	325.857	POEWVMVQJQWJRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081177
COCCn1ncc(c1C(c1sc2c(c1)CCC2)NC)Cl	PC-id_105054435	325.857	PKOQBFLQILQIBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081178
CC(Sc1cc(nc(c1)Cl)Nc1sc2c(n1)CCC2)C	PC-id_144988140	325.88	LTLXJUOYOGQWDR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081179
CCCNC(c1sc2c(c1)CCC2)Cc1ccc(s1)Cl	PC-id_115841500	325.92	HNBZMZVXCDHNCO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-081180
CCCNC(c1sc(c(c1)C)Cl)c1sc2c(c1)CCC2	PC-id_102764083	325.92	OFGSWVNLLTUJHP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-081181
Clc1sc2c(C(NC3CCC(C(CC)(C)C)CC3)CC2)c1	PC-id_81234087	325.94	KJDSSWFWQZQZRJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-081182
CC1=NN2CCN(C2=C1)C(=O)C3=CC(=CN=C3)OS(=O)(=O)F	PC-id_154880894,MCULE-7729703347	326.049	ITAVZJXYTBPVTN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081183
C1CC2=C(C=NN2C1)CNC3=CC(=C(C=C3)Cl)S(=O)(=O)N	MCULE-1122411758,EMOLS-id_317351938,PC-id_154769044	326.06	UBAAKSHILRWUDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081184
C1CC2=NN=C(N2C1)CNC[C@@H](C3=CC(=C(C=C3)Cl)Cl)O	PC-id_154788511,EMOLS-id_317740753,MCULE-9716049591	326.07	UXKCRQQNJUEGLP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081185
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1Cl)Cl	EMOLS-id_24580064,STOCK6S-70704,MCULE-4043286496,PC-id_135649897	326.138	MEBRMGQMLJTSCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081186
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1Cl	EMOLS-id_17108212,PC-id_135635989,STOCK6S-52309,MCULE-8128754076	326.138	SQXKUJAWEGYETM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081187
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)Cl	STOCK6S-52219,EMOLS-id_17108078,PC-id_135635985,MCULE-9707843722	326.138	FXEPQGICKZIOEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081188
c12ncnn1C(C(=O)N2)CC(=O)Nc1cc(Cl)cc(Cl)c1	MCULE-1459790444,SPECS-id_AN-153/NB21572,PC-id_135629418,EMOLS-id_24580644,STOCK6S-71185	326.138	NEIWIEIRFXOFLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081189
c12ncnn1C(C(=O)N2)CC(=O)Nc1c(Cl)ccc(Cl)c1	PC-id_135635970,MCULE-4436065846,EMOLS-id_17104863,STOCK6S-50064	326.138	XEWIAIDJCPOSAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081190
CC(=O)N1CC2=C(C1)NN=C2C(CC(=O)C3=CC=CC=C3)C(=O)N	PC-id_153863689	326.138	CLTGXTGNQKJHQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081191
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1cccc(Cl)c1Cl	ZINC22_13725373,PC-id_135904034	326.138	SQXKUJAWEGYETM-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081192
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1cccc(Cl)c1Cl	ZINC22_13725377,PC-id_135904035	326.138	SQXKUJAWEGYETM-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081193
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(Cl)cc1Cl	PC-id_135902432,ZINC22_20730885	326.138	MEBRMGQMLJTSCM-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-081194
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(Cl)cc1Cl	ZINC22_20730881,PC-id_135902431	326.138	MEBRMGQMLJTSCM-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081195
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(Cl)c(Cl)c1	PC-id_135904023,ZINC22_13725010	326.138	FXEPQGICKZIOEO-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081196
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(Cl)c(Cl)c1	PC-id_135904024,ZINC22_13725014	326.138	FXEPQGICKZIOEO-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-081197
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1cc(Cl)ccc1Cl	PC-id_135897612,ZINC22_13718655	326.138	XEWIAIDJCPOSAC-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081198
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1cc(Cl)ccc1Cl	ZINC22_13718659,PC-id_135897613	326.138	XEWIAIDJCPOSAC-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-081199
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1cc(Cl)cc(Cl)c1	PC-id_135902521,ZINC22_20732488	326.138	NEIWIEIRFXOFLK-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081200
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1cc(Cl)cc(Cl)c1	PC-id_135902522,ZINC22_20732492	326.138	NEIWIEIRFXOFLK-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-081201
CS(=O)(=O)NCC1CCCCN1C(=O)C2=NNC3=C2CCC3	PC-id_154781181,EMOLS-id_110457508,MCULE-9663546727	326.141	FERWHHROYQSCEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081202
C1COc2cc(nn12)C(=O)NCCn1cc(cn1)Br	PC-id_91959773	326.149	PCMCIRVRPAKNKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081203
O=C1CN=C(N1C)NC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_278441509	326.149	ZSGQMKUQKRFRMT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-081204
O=c1n(C)cc(c(=O)n1Cc1nnc2n1CCC2)Br	EMOLS-id_319009310	326.149	WBZLOFNLKIKDOH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081205
Brc1cnc(c(c1)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318223266,MCULE-9631734211	326.168	OEOKIBLZHVJIDZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081206
Brc1cc(C(=O)Nc2onc3c2CSC3)cnc1	PC-id_49720066	326.169	PYUHFWLELSTPOU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081207
c1(C(=O)OC)c2CSCc2sc1I	EMOLS-id_331061804,MCULE-5942136709	326.174	MCARFEMMYNVOMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081208
c1(C(=O)OC)sc2CSCc2c1I	MCULE-5422707325,EMOLS-id_330874435	326.174	QJXKLLIMMSXHFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081209
CC1(C(Sc2c1scc2)C(=O)O)I	PC-id_135368063,SCHEMBL20547477	326.174	KDOAMFREJSJUAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081210
C[C@H](C(=O)NCCC1=CC=CC=C1)NC(=O)C2=CN3CCCC3=N2	PC-id_154798981	326.174	PTRMEXLZZFFMFY-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081211
Clc1cc(cc(c1)Cl)C(CC(=O)N1CCn2c1ccn2)O	MCULE-5296973340,EMOLS-id_316035775	326.178	PDUPQKIXJQMXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081212
Clc1cc(Cl)c(c(c1)C(=O)NCc1n[nH]c2c1CCC2)O	EMOLS-id_318930571	326.178	NZPNJEQESDRRFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081213
O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCn2nccc12	ZINC22_375958268	326.178	PDUPQKIXJQMXKO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081214
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCn2nccc12	ZINC22_375958271	326.178	PDUPQKIXJQMXKO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081215
Clc1ccc(c(n1)Cl)C(=O)NC(c1nnc2n1CCC2)C	PC-id_106993282	326.181	QNLGHZPABLFXGL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081216
Clc1ccc(c(n1)Cl)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_106993319	326.181	GMFDMTGLMVJWHO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081217
Clc1cc(C(=O)N(Cc2n3CCCc3nn2)C)cnc1Cl	PC-id_60707644	326.181	UTTDAFYCWITWGQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081218
Clc1cc(C(=O)NC(c2n3CCCc3nn2)C)cnc1Cl	PC-id_61040652	326.181	UMEOUFNUOILPIK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081219
Clc1cc(NC(=O)NCc2n3CCCc3nn2)cc(Cl)c1	PC-id_60446179	326.181	ORHYEJKLHSJFIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081220
Clc1c(nc(Cl)cc1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_61040654	326.181	OQPCPYOIQRGTEP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081221
Clc1c(nc(Cl)cc1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_61052820	326.181	BTVIIJUVSLGPSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081222
Clc1ncc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)Cl	PC-id_114917715	326.181	NSVJGEWGGFSPQE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081223
Clc1ncc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)Cl	PC-id_114917887	326.181	INNCPZRIGLYRQG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081224
Clc1nc(Cl)cc(C(=O)NC(c2n3CCCc3nn2)C)c1	PC-id_61040789	326.181	XHVFGRQZXFCSAI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081225
Clc1nc(Cl)cc(C(=O)N(Cc2n3CCCc3nn2)C)c1	PC-id_61052821	326.181	QTYIUZWXALTQGT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081226
O=C(NCc1nnc2n1CCC2)Nc1ccc(Cl)c(Cl)c1	MCULE-2373695233,EMOLS-id_44028011,CoCoCo_4490687,ZINC22_10464422,PC-id_24612534	326.181	UUJNZXVVSDWGBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081227
O=C(NCc1nnc2n1CCC2)Nc1cc(Cl)ccc1Cl	PC-id_52185983,EMOLS-id_36633504,MCULE-9608478435,ZINC22_43154743	326.181	DGCSQSVBMJSPPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081228
C1CN(c2c(cnn12)Br)S(=O)(=O)CCCCF	PC-id_136554576	326.186	SZAWZTJRVKTUNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081229
c12ccsc1C(=O)CC2NC(=O)c1ccc(cc1Cl)Cl	EMOLS-id_36797934,CHEMBL1561827,ChEMBL-DNDi_CHEMBL1561827,MCULE-1565598689,PC-id_4266221	326.198	SBBSYDJACJBNAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081230
O=C(N[C@@H]1CC(=O)c2sccc12)c1ccc(Cl)cc1Cl	ZINC22_1386541,PC-id_1474710	326.198	SBBSYDJACJBNAS-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081231
O=C(N[C@H]1CC(=O)c2sccc12)c1ccc(Cl)cc1Cl	ZINC22_6321054,PC-id_40605161	326.198	SBBSYDJACJBNAS-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-081232
CCc1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324844265	326.201	MXWPJYZIUSKJPE-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-081233
CCc1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324842728	326.201	PZPUXKYNQIVYBW-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-081234
CCc1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324845288	326.201	IQRVZPPOKWUJHF-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-081235
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)CC	MCULE-1809312118	326.201	PZPUXKYNQIVYBW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-081236
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)CC	MCULE-2882047383	326.201	IQRVZPPOKWUJHF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-081237
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CC	MCULE-9812901976	326.201	MXWPJYZIUSKJPE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-081238
Brc1ccc(o1)C(=O)NCc1sc2c(c1)CCC2	PC-id_61793633,EMOLS-id_314853072	326.209	AWJXZMRQHVHWEA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-081239
O=C(c1ccoc1Br)NCc1sc2c(c1)CCC2	PC-id_106853672	326.209	GNVKJKOOERPMMA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-081240
Brc1ccc(s1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319156155	326.212	VHGZZAHALGOINP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081241
Brc1cc(n(c1)C)C(=O)Nc1sc2CCCc2n1	PC-id_60698601,EMOLS-id_314909447	326.212	VVIWAACDOIQCFV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-081242
Brc1c(cn[nH]c1=O)NCc1sc2c(c1)CCC2	PC-id_113578002,EMOLS-id_315967658	326.212	UVUWWFWNFDDAML-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081243
Brc1sc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536281	326.212	AWUFTKOCKPAWEP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081244
C1Cc2c(C1)sc(c2)CNc1c(c(=O)[nH]cn1)Br	PC-id_137016222	326.212	LAJKSRXGBGTMHJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081245
O=C(c1ccsc1Br)NCc1cnc2n1CCC2	EMOLS-id_317917097	326.212	YTZIJBSDJKXITE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081246
O=C(N1CCn2c1ncc2)CCc1ccsc1Br	EMOLS-id_318992335	326.212	XUZQIEYBEXJRCI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081247
O=C(NCc1cscc1Br)[C@@H]1CCc2c[nH]nc12	ZINC22_1875297249	326.212	IHXIIOZMCOZBCN-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081248
O=C(NCc1cscc1Br)[C@H]1CCc2c[nH]nc12	ZINC22_1875297250	326.212	IHXIIOZMCOZBCN-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-081249
Brc1ccc(nn1)NCCc1cn2c(n1)SCC2	MCULE-2462591141,EMOLS-id_318637011	326.215	LRMBDSBIDQLPJO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081250
Brc1cnc(cn1)NCCc1cn2c(n1)SCC2	MCULE-8596262828,EMOLS-id_318597191	326.215	AVFZCZKJYJGPKF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081251
Brc1cnc(nc1)NCCc1cn2c(n1)SCC2	EMOLS-id_318258637,MCULE-4557276345	326.215	ZGHJOEHZVVLZTA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081252
Brc1ccc(c(c1)C(c1sc2c(c1)CCC2)N)F	PC-id_113670938	326.227	SXFNXQDJWHDNMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081253
Brc1cc(C(N)c2sc3c(CCC3)c2)ccc1F	PC-id_79747252	326.227	NQPIUPCEXLUBEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081254
NC(c1cccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_106647646	326.227	NNGCGEPPRFNPEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081255
CC1(NC(=O)c2nc3n(c2Br)CCC3)CCCCC1	EMOLS-id_177290452,MCULE-6949455968,ZINC22_585089383	326.232	IVKHMTIAUOWRSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081256
BrCS(=O)(=O)NCCc1nc2SCCn2c1	PC-id_7640564	326.234	OXIMSHCNAKVPMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081257
Brc1ccc(o1)C(NCc1sc2c(c1)CCC2)C	PC-id_113437525	326.252	SOBDSOBVKLNGNQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-081258
Brc1oc(C(NCC)c2sc3c(CCC3)c2)cc1	PC-id_80216071	326.252	OCMSJQOUWVTZGO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-081259
CCNC(c1occc1Br)c1sc2c(c1)CCC2	PC-id_113668148	326.252	NDWLSAVTADMJLU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-081260
Brc1cc2c(s1)CCC2NCc1cc(nn1C)C	EMOLS-id_317977665,MCULE-9459210643	326.255	YKFVZFSMZNJSSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081261
Brc1ccc(s1)CCNC1CC(n2c1ncc2)C	MCULE-7528535676,EMOLS-id_317972819	326.255	LYNRWTZPZDPVAF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081262
Brc1ccc(s1)CNC(c1nn2c(c1)CCC2)C	MCULE-6569741341,EMOLS-id_318195807	326.255	QBADGXOHKKBWLW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081263
Brc1csc(c1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318372421,MCULE-6709040794	326.255	NUWDVTAHDXQLFI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081264
Brc1sc2c(c1)C(CC2)NCc1cnn(c1C)C	EMOLS-id_317959956,MCULE-7070190076	326.255	FDTWMEZGFHHTOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081265
Brc1sc2c(c1)C(CC2)NCCc1ccnn1C	EMOLS-id_317927703,MCULE-7011372997	326.255	VVERKHMLGMRTPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081266
Brc1sc2c(c1)C(CC2)NCCc1cncn1C	MCULE-9247717081,EMOLS-id_318087520	326.255	ICKURUVEWDBXLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081267
Brc1sc2c(c1)C(CC2)NCCn1ccnc1C	EMOLS-id_317956117,MCULE-2535171246	326.255	POLRTFQIDMNPRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081268
Brc1scc(c1)CNC(c1nn2c(c1)CCC2)C	MCULE-5701208136,EMOLS-id_318177106	326.255	NHFIBPXNCFTYKX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081269
Cc1cnn(c1)CCNC1CCc2c1cc(s2)Br	MCULE-1834256408,EMOLS-id_317959700	326.255	RVSGICUERVZEDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081270
CC(c1nn2c(c1)CCC2)NCc1ccsc1Br	EMOLS-id_318106426,MCULE-7045304009	326.255	PAGQBNOJMYWMDW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081271
CC(c1nn2c(c1)CCC2)NCc1sccc1Br	MCULE-2019202288,EMOLS-id_318207806	326.255	GPWUSWRHOCRWAA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081272
CCn1ncc(c1C(c1sc2c(c1)CCC2)N)Br	PC-id_113673788	326.255	POPOXYYXIMQKBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081273
CCn1ncc(c1)CNC1CCc2c1cc(s2)Br	EMOLS-id_317918365,MCULE-5152255981	326.255	QJALVHYGQOVHJI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081274
CCn1nccc1CNC1CCc2c1cc(s2)Br	EMOLS-id_318144942,MCULE-1877273192	326.255	AMCUGKCLWLYEAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081275
CC(NC1CCc2c1cc(s2)Br)Cn1cccn1	EMOLS-id_317931286,MCULE-8752011309	326.255	WSDSAEUHHZCZAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081276
CC(NC1CCc2c1cc(s2)Br)Cn1cncc1	EMOLS-id_317958420,MCULE-6436116115	326.255	XFZAULUMFLGRGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081277
Cn1ccc(n1)CCNC1CCc2c1cc(s2)Br	MCULE-5371350724,EMOLS-id_317947937	326.255	IKKWKBTVNHWVAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081278
Cn1ccc(n1)C(NC1CCc2c1cc(s2)Br)C	MCULE-7368346257,EMOLS-id_318179850	326.255	XDGLTDJHRZLXOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081279
Cn1ncc(c1)CCNC1CCc2c1cc(s2)Br	EMOLS-id_317951520,MCULE-9442361611	326.255	YHPOACHIBCFIRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081280
Cn1ncc(c1)C(NC1CCc2c1cc(s2)Br)C	MCULE-9038875727,EMOLS-id_317948449	326.255	GGKQPQVWDAESJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081281
CNC(c1c(Br)cnn1C)c1sc2c(c1)CCC2	PC-id_105053892	326.255	IANGZVFEKGJHDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081282
c1(C(=O)N(C)C)n(CC(F)F)nc2CN(CC(F)(F)F)Cc12	EMOLS-id_324352361,MCULE-4189928545	326.266	JZOBVGSYVPBNTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081283
O=C(N1Cc2c(C1)c[nH]c2)OCc1ccc(cc1)OC(F)(F)F	SCHEMBL18668617	326.271	FJVOPUSECWHWPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081284
FC(COc1cc(F)ccc1NC(=O)N1CCn2c1ncc2)F	EMOLS-id_318607141	326.274	AYNJCRIYCQBPQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081285
FC(Oc1cccc(c1CNC(=O)C1NCc2c1c[nH]n2)F)F	EMOLS-id_319660861	326.274	INJRMSWBMPJUTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081286
O=C(c1ccc(cn1)OC(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319829136,MCULE-9397734966	326.274	JDNRPZFVYLVTFM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081287
O=C(c1ccc(cn1)OC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320222402,MCULE-5842921845	326.274	HHSGNDDLSSRBJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081288
O=C(c1ccc(c(=O)[nH]1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318962621	326.274	SWAYKBMBCYVISC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081289
O=C(c1cc(c[nH]c1=O)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319328563	326.274	VUKKLOYNIOXIGQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081290
O=C(c1c[nH]c(=O)c(c1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319559911	326.274	IHWLFBIMGFLQGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081291
O=C(c1c[nH]c(=O)c(c1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319201491	326.274	KHOPXGUESZBPIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081292
O=C(c1ncccc1OCC(F)(F)F)NC1Cn2c(C1)cnc2	MCULE-6044410033,EMOLS-id_313146435	326.274	WWEWVEBZAOVBRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081293
O=C(NCc1nnc2n1CCC2)c1ccc(OC(F)(F)F)cc1	MCULE-1144388559,EMOLS-id_16738990,CoCoCo_4474366,PC-id_17521828,ZINC22_12942132	326.274	MYFHYGILTGCGMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081294
O=C(N[C@@H]1Cc2cncn2C1)c1ncccc1OCC(F)(F)F	ZINC22_585141686	326.274	WWEWVEBZAOVBRF-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081295
O=C(N[C@H]1Cc2cncn2C1)c1ncccc1OCC(F)(F)F	ZINC22_585141687	326.274	WWEWVEBZAOVBRF-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-081296
c1(cnc(nc1C(F)(F)F)N)C(=O)NCc1c2CCCc2[nH]n1	MCULE-1272871793,ZINC22_216048156,EMOLS-id_49889971,PC-id_77092110	326.277	MKXVZUQVXQTLSO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081297
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(nc1)C(F)(F)F	EMOLS-id_319864623	326.277	ZWNLKKGFUAAKQA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081298
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1nccc(c1)C(F)(F)F	EMOLS-id_319865162	326.277	JBRHMMJPPKOCEE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081299
CC(c1cccc(c1Cl)Cl)NCc1sc2c(c1)CCC2	PC-id_108418976	326.284	CZYLALMXKVLICQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081300
CCNC(c1cccc(c1Cl)Cl)c1sc2c(c1)CCC2	PC-id_115851439	326.284	ZSFWSKKWPCCULX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081301
Clc1cc(CC(NC)c2sc3c(CCC3)c2)ccc1Cl	PC-id_63527825	326.284	AOMVPENXFFJQBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081302
Clc1cc(C(NCc2sc3c(CCC3)c2)C)ccc1Cl	PC-id_61209323	326.284	AVJLVXAFQHRUTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081303
Clc1cc(C(NCC)c2sc3c(CCC3)c2)ccc1Cl	PC-id_43492786	326.284	OTAKQVXXLJSICQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081304
Clc1c(C(NCc2sc3c(CCC3)c2)C)ccc(Cl)c1	PC-id_63452324	326.284	QXJPECIHPIKSDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081305
Clc1c(C(NCc2sc3c(CCC3)c2)C)cc(Cl)cc1	PC-id_63452366	326.284	DTQUNZRWIGIMKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081306
Clc1c(C(NCC)c2sc3c(CCC3)c2)ccc(Cl)c1	PC-id_63501727	326.284	DKRXQRMBKZTWPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081307
Clc1c(C(NCC)c2sc3c(CCC3)c2)cc(Cl)cc1	PC-id_43492919	326.284	JMBPNHLQEABTJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081308
Clc1sc2c(C(NC(Cc3ccc(Cl)cc3)C)CC2)c1	PC-id_81252278	326.284	CCJLSAMIJFAPIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081309
Clc1sc2c(C(NC(Cc3cc(Cl)ccc3)C)CC2)c1	PC-id_81252997	326.284	DBPWZDZDVDRICH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081310
Clc1sc2c(C(NC(Cc3c(Cl)cccc3)C)CC2)c1	PC-id_81252169	326.284	WWEJVGGKGGAPRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081311
Clc1sc2c(C(NC(CC)c3ccc(Cl)cc3)CC2)c1	PC-id_81252996	326.284	ZIGZYKZKWCPSCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081312
Clc1sc2c(C(NC(CC)c3cc(Cl)ccc3)CC2)c1	PC-id_81251506	326.284	AALXIFFJVIUPPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081313
CNC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)Cl	PC-id_107311860	326.284	PXTHTZRQYQYOHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081314
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)Cl	PC-id_115839876	326.284	KQAIYUBMYHMARZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081315
CNC(c1sc2c(c1)CCC2)Cc1cc(Cl)ccc1Cl	PC-id_115862933	326.284	MIFUTPHVDXUXBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081316
CNC(c1sc2c(c1)CCC2)Cc1c(Cl)cccc1Cl	PC-id_115830042	326.284	MJZJNHOBWRFAIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081317
CC1CCc2c1c(C=O)nn2Cc1cccc(c1F)C(F)(F)F	MCULE-2008779794,EMOLS-id_331004912	326.289	QFWPKVNEVRZTLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081318
O=C(c1sc2c(c1S(=O)(=O)N)OCO2)Nc1ccccc1	SCHEMBL7364680,PC-id_70067373	326.348	AQBOXVFKTFYMMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081380
CC1CCc2c1c(C=O)nn2Cc1ccc(cc1F)C(F)(F)F	MCULE-4914414607,EMOLS-id_331000575	326.289	QIAWNOMFOVRBOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081319
CC1CCc2c1c(C=O)nn2Cc1cc(ccc1F)C(F)(F)F	MCULE-5872179226,EMOLS-id_331005680	326.289	RQVKTCWVQGKWCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081320
CC1CCc2c1c(C=O)nn2Cc1ccc(c(F)c1)C(F)(F)F	MCULE-8476983871,EMOLS-id_331000831	326.289	QUFHFRMMGMGGRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081321
CC1CCc2c1c(C=O)nn2Cc1ccc(F)cc1C(F)(F)F	MCULE-2360421454,EMOLS-id_331003120	326.289	ALOBSKDRXHLBQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081322
CC1CCc2c1c(C=O)nn2Cc1ccc(F)c(c1)C(F)(F)F	MCULE-6352351986,EMOLS-id_331005168	326.289	ALCMCGDVKLDXND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081323
CC1CCc2c1c(C=O)nn2Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_331003376,MCULE-8258531412	326.289	DKCIGRMNHGEBMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081324
CC1CCc2c1c(C=O)nn2Cc1cc(F)cc(c1)C(F)(F)F	EMOLS-id_331005424,MCULE-5519268495	326.289	OIUROQODVIUGJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081325
CC1CCc2c1c(C=O)nn2Cc1c(F)cccc1C(F)(F)F	MCULE-7011529463,EMOLS-id_331002864	326.289	CBAIGPDASOVWOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081326
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(C=O)c12	EMOLS-id_330984378,MCULE-8250129968	326.289	YMALFPRKMINNJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081327
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(C=O)c12	EMOLS-id_330984635,MCULE-2128378329	326.289	JISXYPASSRZNFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081328
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(C=O)c12	EMOLS-id_330985403,MCULE-6403141220	326.289	VTHHUCAXOBZKPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081329
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(C=O)c12	EMOLS-id_330984634,MCULE-3650303849	326.289	PSQYJYREHGYJIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081330
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(C=O)c12	EMOLS-id_330982843,MCULE-9176472295	326.289	ULYWUGHMSDPJPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081331
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(C=O)c12	MCULE-7015927548,EMOLS-id_330984891	326.289	YDGRIXBUNLLIFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081332
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(C=O)c12	EMOLS-id_330983099,MCULE-1735521597	326.289	OZTFHDPHWRGHIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081333
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(C=O)c12	EMOLS-id_330985147,MCULE-3265395754	326.289	WPYQHGQTJMUZDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081334
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(C=O)c12	MCULE-9617430669,EMOLS-id_330982587	326.289	NQHQHSWXIFKTKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081335
O1[C@@](CN2CCN(NC(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5539640,PC-id_69480581	326.309	GOGKHRFQAYQKTQ-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081336
O1C(CN2CCN(NC(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5539645,PC-id_69480582	326.309	GOGKHRFQAYQKTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081337
CCOC(=O)C1CCc2c1nc(s2)NCC(C(F)F)(F)F	PC-id_106296018	326.31	KIIYBBFFRPPGBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081338
Cc1c(cccc1OCC(F)(F)F)NC1CC(n2c1ncn2)C	MCULE-3210007415,EMOLS-id_319911010	326.317	QLBLMHSQENSZIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081339
C[C@@H](c1ccc(cc1)OC(F)(F)F)NC1CC(n2c1ncn2)C	MCULE-6487665952,EMOLS-id_318429398	326.317	UGBSPWGJCXEBLA-QUNCOHTASA-N	00000010100000110001000010000000000000000000000000000000	25-01-081340
Cn1c(c2CCCc2n1)CNc1cccn(c1=O)CC(F)(F)F	MCULE-5404843889,EMOLS-id_317336342,PC-id_136569678	326.317	MWJRJHSTTOGQQK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081341
COc1ccc(c(c1)C(F)(F)F)CNC1CC(n2c1ncn2)C	EMOLS-id_318443955,MCULE-1153460706	326.317	HXYYABLWOKALSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081342
FC(F)(F)Oc1ccc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_75874341	326.317	MYFOJDUJVLBRQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081343
FC(F)(F)Oc1ccc(CN[C@H](c2n3CCCc3nn2)C)cc1	PC-id_52583045	326.317	MYFOJDUJVLBRQE-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-081344
FC(F)(F)Oc1ccc(CN[C@@H](c2n3CCCc3nn2)C)cc1	PC-id_52583047	326.317	MYFOJDUJVLBRQE-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081345
OC(c1ccc(cc1)C(F)(F)F)CNC1CC(n2c1ncn2)C	EMOLS-id_316586213	326.317	BJLPRRXGTQETTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081346
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NCc1ccn(c1)C	EMOLS-id_318461647	326.317	JHFMDLNSUAYIIN-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-081347
CN(c1nc(NC2CC(n3c2ncc3)C)nc(c1)C(F)(F)F)C	MCULE-3899979132,EMOLS-id_318007952	326.32	NUDDGXZMMUPKDV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081348
c1(NC(=O)c2ccn(C(F)F)n2)sc2c(CCC2)c1C(=O)N	CoCoCo_6578609,ZINC22_2775005,TIMTEC527427,EMOLS-id_4008423,MCULE-7588628402,PC-id_4768479	326.322	WMAOSVSXEFDWSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081349
COC(=O)c1c(NC(=O)N2CCC(C2)(F)CO)nc2n1CCC2	EMOLS-id_319301581	326.323	GXOQYPCZKBCZRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081350
c1(C(=O)NCc2onc(c3ccccc3F)c2)c2CCCc2[nH]n1	PC-id_77095793,MCULE-6651141247,EMOLS-id_49896371,ZINC22_216334631	326.325	PAADZUPHWNBNRZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081351
Cn1nc2c(c1NC(=O)c1cc(c3ccccc3F)on1)CCC2	MCULE-3620623723,PC-id_47794450,ZINC22_58420786,EMOLS-id_33313655	326.325	SCXVQPCXBDNIDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081352
O=C(NCc1nnc2n1CCC2)c1ccc(c2ccccc2F)o1	MCULE-1618661977,ZINC22_48279495,EMOLS-id_30677238,PC-id_47016894	326.325	MOEXXYDJIXMBIW-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-081353
O=C(NCc1nnc2n1CCC2)c1ccc(c2ccc(F)cc2)o1	ZINC22_40480503,MCULE-6752784056,CoCoCo_4474378,EMOLS-id_29641277,PC-id_45802299	326.325	ZSZANXNSUUMMNZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-081354
c1(C(=O)Nc2n[nH]c(Cc3ccc(cc3)F)n2)c2CCCc2n[nH]1	ZINC22_95473541,PC-id_71702097,EMOLS-id_48564476,MCULE-7926643732,STOCK7S-41208,EMOLS-id_49402802	326.328	OCQLOCWVTNJPFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081355
c1(C(=O)NCc2nnc3CCCn23)[nH]nc(c2ccccc2F)c1	EMOLS-id_44720776,MCULE-1886834267,ZINC22_91636753,PC-id_70742575	326.328	DZYYWNDZWZEBJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081356
Cc1cc(F)cc(c1)n1nnc(c1)C(=O)NC1CCn2c1cnc2	PC-id_145880172,EMOLS-id_316996364,MCULE-1333124308	326.328	FIZWFEXZPOXBHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081357
Cc1cc(F)cc(n2cc(C(=O)N[C@@H]3CCn4cncc34)nn2)c1	ZINC22_1118792622	326.328	FIZWFEXZPOXBHN-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081358
Cc1cc(F)cc(n2cc(C(=O)N[C@H]3CCn4cncc34)nn2)c1	ZINC22_1118792623	326.328	FIZWFEXZPOXBHN-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081359
Cc1cn(c2cccnc2)[nH]c1=NC(=O)c1cc2n(n1)C[C@H](F)C2	ZINC22_1875293351	326.328	NEGQZCCBKDKRDH-LLVKDONJSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081360
Cc1cn(c2cccnc2)[nH]c1=NC(=O)c1cc2n(n1)C[C@@H](F)C2	ZINC22_1875293352	326.328	NEGQZCCBKDKRDH-NSHDSACASA-N	00000010100000101001100010000000000000000000000000000000	25-01-081361
Cc1nc(C(=O)N2Cc3cnn(C)c3C2)nn1c1ccc(F)cc1	EMOLS-id_313164082,MCULE-5235977582,ZINC22_585140197	326.328	UKAFTQVDQSFCPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081362
Fc1cccc(c1)n1ncc(c1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_318789737	326.328	USJCWPBBJSGJCI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081363
O=C(c1cc(ccc1F)n1nncc1)NCc1cnc2n1CCC2	EMOLS-id_318852876	326.328	SKILXGDDAKYRDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081364
O=C(c1cc(ccc1F)n1nncc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318964758	326.328	VQDAZKMPXCLYCO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081365
O=C(NCc1nnc2n1CCC2)c1cc(c2ccc(F)cc2)[nH]n1	EMOLS-id_31904114,ZINC22_25091590,MCULE-7124309685,PC-id_32402105	326.328	LFYBWOQJUILSRQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081366
c1(c2CCCc2sc1N)C(=O)Nc1ccccc1C(F)(F)F	MCULE-5148924862,EMOLS-id_4008447,TIMTEC476644,CoCoCo_6813421,PC-id_17380390,ZINC22_2558472	326.337	UHHHXUKDIAKLAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081367
c1(c2CCCc2sc1N)C(=O)Nc1cccc(c1)C(F)(F)F	ZINC22_2558468,CoCoCo_6805977,TIMTEC258555,MCULE-3290568502,PC-id_17371643,EMOLS-id_3785118	326.337	KECBGHDNBUFRSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081368
C1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(c2)C(=O)N	PC-id_90816359	326.337	CGHZVUOYWBWLLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081369
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)C(F)(F)F)N	PC-id_135200339,SCHEMBL20353920	326.337	NVZIGBHPKXWXTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081370
Fc1ccc(cc1)C(C(=O)NCc1sc2c(n1)CCC2)(F)F	EMOLS-id_318734172	326.337	GAUFURKFOCZGPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081371
O=C(c1sc2c(c1)CCC2)NNc1ccccc1C(F)(F)F	EMOLS-id_45631649,MCULE-2497816921	326.337	OAEAJJJDGINTJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081372
s1c2CCCc2nc1NC(=O)Cc1cc(ccc1)C(F)(F)F	PC-id_26723075	326.337	JHWVWNQUAATTRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081373
s1c2CCCc2nc1NC(=O)Cc1ccc(cc1)C(F)(F)F	PC-id_27148292	326.337	AJWHHNDBVFTBAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081374
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)OCC	PC-id_27516491	326.345	UNYWHQNJNIPJEU-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-081375
CC(C(=O)N)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_138573062,SCHEMBL20931175	326.347	LBVOJRUQXIHOCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081376
CCOC(=O)C1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)N	SCHEMBL16726839,PC-id_9927345	326.347	AVBXXQPIAANSQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081377
Fc1ccc(Cc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1	EMOLS-id_324840691	326.348	UTHAYOJTKRHZTI-LCYFTJDESA-N	00000000110000110001000010000000000000000000000000000000	25-01-081378
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)Cc1ccc(F)cc1	MCULE-4588662451	326.348	UTHAYOJTKRHZTI-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-081379
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](C(=O)O)C1)c1cccnc1	ZINC22_91624599,PC-id_70739968,MCULE-8387755248,EMOLS-id_44719190	326.35	OQBUELWMUZQWAL-QWHCGFSZSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081381
C[C@@H]1C[C@@H](OC(=O)c2ccc(N3CCNC3=O)cc2)c2nccn12	ZINC22_585086571	326.35	RMBFTZDANXWZBR-BXUZGUMPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081382
C[C@H]1C[C@H](OC(=O)c2ccc(N3CCNC3=O)cc2)c2nccn12	ZINC22_585086573	326.35	RMBFTZDANXWZBR-FZMZJTMJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081383
C[C@@H]1C[C@H](OC(=O)c2ccc(N3CCNC3=O)cc2)c2nccn12	ZINC22_585086574	326.35	RMBFTZDANXWZBR-RISCZKNCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081384
C[C@H]1C[C@@H](OC(=O)c2ccc(N3CCNC3=O)cc2)c2nccn12	ZINC22_585086575	326.35	RMBFTZDANXWZBR-SMDDNHRTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081385
O=C1NCCN1c1ccc(cc1)C(=O)OC1CC(n2c1ncc2)C	MCULE-3488668713,EMOLS-id_177266603	326.35	RMBFTZDANXWZBR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081386
O=C(Cc1nc(oc1C)c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319312899	326.35	MLINXXVQVUFWBC-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-081387
O=C([C@@H]1[C@H]2COC[C@@H]12)N1Cc2[nH]nc(COc3cccnc3)c2C1	ZINC22_1565545779,EMOLS-id_313727697	326.35	MAHYQOZVAGEVTF-VIKVFOODSA-N	00100010100000101001010010000000000000000000000000000000	25-01-081388
O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCn2nccc12	ZINC22_375597071,MCULE-9348821551,EMOLS-id_316053148	326.35	CWRNNHMOCJIFOJ-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081389
O([C@@H](C(=O)N1Cc2c([nH]nc2NC(=O)C=C)C1)c1ccccc1)C	PC-id_73951551	326.35	GMCREVQBRDCCTA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081390
O=C(N1Cc2c([nH]nc2NC(=O)CCC(=O)c2ccccc2)C1)C	SCHEMBL2919435,PC-id_68440946	326.35	IQJKKSYDWMRDGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081391
O=C(n1nc(NC(=O)c2ccc(OC)cc2)c2c1CNC2)C1CC1	PC-id_71477257	326.35	GGCXORUYHVJAOF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081392
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccno1	PC-id_92109263	326.35	VSOOXJNHKCPQSM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-081393
O=C(NN=C(c1ccc(OC(=O)C)cc1)C)c1n[nH]c2CCCc12	PC-id_5021816	326.35	UEVPGPBLTQIYRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081394
O=C(NNC(=C)c1ccc(OC(=O)C)cc1)c1n[nH]c2CCCc12	PC-id_2043144	326.35	NUQJSUPDLMVZGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081395
OC(=O)C1C(CN(C1)C(=O)c1n[nH]c2c1CCC2)c1cccnc1	PC-id_77850826	326.35	OQBUELWMUZQWAL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081396
O=C(O)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1cccnc1	ZINC22_212967231	326.35	OQBUELWMUZQWAL-OLZOCXBDSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081397
S(=O)(=O)(CC1n2c(SC1)nnc2)c1ccc([N+](=O)[O-])cc1	PC-id_11416137	326.351	XJGUDMMXDVWPRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081398
C1CC1NC(=O)C1CCc2nnc(n12)CNC(=O)c1ccncc1	PC-id_134791424	326.353	TYCMKRBOMWTNOF-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-081399
c1([nH]nc(c2cccn2C)c1)C(=O)N1Cc2c(n(nc2)CCO)C1	EMOLS-id_44735784,MCULE-7513000804,PC-id_70766188,ZINC22_91847131	326.353	GECNMTOVQAXDHL-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-081400
Cc1ncc(nc1)C(=O)N1Cc2c(C1)c(nn2C)C(=O)NC1CC1	EMOLS-id_207862896,MCULE-6747557641	326.353	SOROPLINJUNMSX-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-081401
Cc1nn2c(n1)C(=Nc1cc(c(cc1)O)C(=O)N)C(=N2)C(C)(C)C	PC-id_136089189	326.353	RTZQUFHBFVQCKL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-081402
CC(C)n1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccno1)C2	ZINC22_96259160,PC-id_97519247	326.353	GVIDAOXNFFMMKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081403
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)/C=C/c1cccnc1	SCHEMBL2914964,PC-id_68439414	326.353	MYJTWVOOOBVOTE-AATRIKPKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081404
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)/C=C/c1ccncc1	SCHEMBL2916858,PC-id_68440089	326.353	KLXLMOWRSYSFAD-ONEGZZNKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081405
Cn1c2c(CN(C2)C(=O)c2nccnc2)c(n1)C(=O)N1CCCC1	PC-id_91917559	326.353	XGOQDFKTEMPVOL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081406
COc1ccc(C#N)cc1NC(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_36289280,MCULE-8597079536,ZINC22_50107631,PC-id_49287323	326.353	LELKZZYLEQSHDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081407
O=C(c1ccccn1)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319501484	326.353	QCRBWRNXESQRBS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081408
O=C(c1ncn[nH]1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109531	326.353	LSJJAYTWCQTCQG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-081409
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2cccnc2)C1)NCC	PC-id_68439416	326.353	MYJTWVOOOBVOTE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081410
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccncc2)C1)NCC	PC-id_68440090	326.353	KLXLMOWRSYSFAD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081411
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCNC2=O)cc1	ZINC22_48310911,MCULE-5818358451,EMOLS-id_31870903,PC-id_51075169	326.353	XUNPVVLBSXWNFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081412
Cn1ccc(n1)c1[nH]ncc1C(=O)N(Cc1nnc2n1CCC2)C	MCULE-5088090401,EMOLS-id_320256148	326.356	KLDXIPKABAGXDE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-081413
Cn1ncc(c1)n1nnc(c1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319417067	326.356	LFLIDONQSOPTKN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-081414
CCC(S(=O)(=O)c1[nH]c2c(n1)CCC2)c1ccc(cc1F)F	EMOLS-id_318607710	326.362	NOWSONSJMMHVPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081415
Fc1cc(ccc1F)C(S(=O)(=O)Cc1cc2n(n1)CCC2)C	EMOLS-id_318286359	326.362	SOMNMONKFWBKSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081416
c12CN(Cc1nn(CCF)c2C(=O)NCC)C(=O)OC(C)(C)C	MCULE-5684549763,EMOLS-id_324357474	326.367	ZXHWLTPFQMWBNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081417
c1(NC(=O)C(=O)NCCOC)sc2c(CCC2)c1C(=O)OC	PC-id_8069660,EMOLS-id_4742513,ZINC22_6755213,CoCoCo_6533754,STOCK6S-11947,MCULE-8479114112	326.368	LEKYVJAFGDUTPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081418
C/C=CC=C/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)C(=O)C1(CC#N)CC1)F	PC-id_137412545,SCHEMBL20645957	326.368	LXVUQGNJWFVVRT-SVUDMHSJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-081419
C[C@@H](NCc1ccc(c2ccc(F)cc2)o1)c1nnc2n1CCC2	PC-id_52640822,ZINC22_59260058	326.368	RJLHNOMTRPYXFJ-GFCCVEGCSA-N	00000010101000110001100010000000000000000000000000000000	25-01-081420
C[C@H](NCc1ccc(c2ccc(F)cc2)o1)c1nnc2n1CCC2	ZINC22_59260057,PC-id_52640820	326.368	RJLHNOMTRPYXFJ-LBPRGKRZSA-N	00000010101000110001100010000000000000000000000000000000	25-01-081421
C([C@H](N)C(=O)Nc1sc2CCCc2c1C(=O)OCC)C(=O)O	EMOLS-id_328003857,MCULE-3454320820	326.368	ONILRWXAKGYEPV-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081422
C([C@H](N)C(=O)O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-3176738471,EMOLS-id_328004369	326.368	LLFWHJIFDLSHCD-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081423
CCOC(=O)c1c(NC(=O)CNCC(=O)O)sc2CCCc12	MCULE-3655980776,EMOLS-id_328092172	326.368	OKJOUPUPQLAVPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081424
COC(=O)c1c(NC(=O)NCCCC(=O)O)sc2c1CCC2	PC-id_122087694	326.368	AMPMSHNQLDGDGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081425
COC(=O)c1c(NC(=O)N(CCC(=O)O)C)sc2c1CCC2	PC-id_122087697	326.368	SUBIOVDNFDPCMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081426
Fc1ccc(c2oc(CNC(c3n4CCCc4nn3)C)cc2)cc1	EMOLS-id_35716466,PC-id_53515785	326.368	RJLHNOMTRPYXFJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-081427
N#Cc1cc(F)cc(c1)C(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_318929316	326.368	NLPCISLRSFSOLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081428
N#Cc1cc(F)cc(c1)C(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_318925049	326.368	YJMOIFMRHRYFEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081429
OC(=O)CCCCC1SCc2c1n(C(=O)C)c(=O)n2C(=O)C	PC-id_22755923,SCHEMBL11645708	326.368	JOFSNINZIDHEBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081430
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NCCOC	PC-id_45637953	326.368	IIZUHTUOGOVZHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081431
s1c2c(CCC2)c(c1NC(=O)COC)C(=O)NCCC(=O)O	PC-id_82033605	326.368	QMVRXNRUJHGQID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081432
s1c2c(CCC2)c(c1NC(=O)COC(=O)COCC)C(=O)N	PC-id_8014501	326.368	QWJZQGJERRUWQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081433
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)CCN)C(=O)OC	PC-id_82034064	326.368	FNHPZQFEZWJOCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081434
c1(NC(=O)c2ccc(cc2)C#N)sc2c(CCC2)c1C(=O)OC	MCULE-9768442494,CoCoCo_5018642,ZINC22_4194739,PC-id_3458064,EMOLS-id_5475004	326.37	ORQRQVOLGNZUKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081435
c1(NC(=O)c2ccccc2C(=O)OC)sc2c(CCC2)c1C#N	MCULE-1189336881,EMOLS-id_182607558,PC-id_108798695	326.37	PJPKEJVBKIEXHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081436
c1(NC(=O)c2cccc(c2)OC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_322616674,MCULE-1282446843	326.37	IARICDVDOSHUOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081437
c1(NC(=O)c2ccc(cc2)OC(=O)C)sc2c(CCC2)c1C#N	MCULE-7069636558,EMOLS-id_322628674	326.37	ULVGSKCNPULSDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081438
c1(NC(=O)Cc2ccccc2C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_36516535,MCULE-2575564057,STOCK7S-24105,ZINC22_71289170,PC-id_56763463	326.37	KNEJTIDLLJVOLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081439
c1(NC(=O)COc2ccc(cc2)C=O)sc2c(CCC2)c1C#N	PC-id_23410545,MCULE-1437626886,EMOLS-id_179203318	326.37	UQZWOQZPPSDEAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081440
COC(=O)c1cccc(c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8987624959,PC-id_108799734,EMOLS-id_182611203	326.37	XPJQRUQMBGJRCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081441
O=C(OCc1nnc(c2ccccc2)o1)c1cc2c(s1)CCC2	MCULE-4386969777,EMOLS-id_3553732,ZINC22_5308205,CoCoCo_2840770,PC-id_7623633	326.37	ZDYZCDSVKYBDGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081442
s1c2CCCc2cc1C(=O)OCc1onc(n1)c1ccccc1	PC-id_7623949	326.37	FDRIYRALJHAOCH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081443
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C#N	PC-id_7291954	326.37	JFJRPPIDFBCQRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081444
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C#N	PC-id_7623841	326.37	NUDQSAQYPJNUBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081445
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C#N	PC-id_7623877	326.37	QFYNDDOJQAVXLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081446
s1c2CCCc2c(c1NC(=O)c1ccc(cc1)C(=O)OC)C#N	PC-id_4611502	326.37	JLZUSIFSHYGSPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081447
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccccc1)C#N	PC-id_7868391	326.37	TZUYQJWCOMXRNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081448
S1(=O)CCn2c1nc(Oc1ccccc1)c2Oc1ccccc1	PC-id_9996480	326.37	GKGHLAQAUKQJFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081449
CC1CC(c2n1ncn2)NCCc1ccn(n1)c1ccc(cc1)F	EMOLS-id_279083365	326.371	VVKYXTKXKZZHBL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081450
CC(N1C(=O)CC(C1=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100231141	326.371	JAPLDQFKGXBDQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081451
Fc1ccc(c2n[nH]cc2CNCCc2nnc3n2CCC3)cc1	MCULE-2248969824,EMOLS-id_35705620,PC-id_53516428,ZINC22_65575922	326.371	OWUAKXCIQKMVMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081452
O=C(C1CCN(C(=O)C1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112067191	326.371	YNIFFLDMLCKUNH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081453
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCC(=O)N1	EMOLS-id_111958012	326.371	SMQPTUPHEOAKJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081454
O=C(NS(=O)(=O)c1cnc2n1CCC2)CN1CCCCC1=O	EMOLS-id_110874300	326.371	DPDBUHNJXBMSAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081455
c12SCCn1cc(CNC(=O)c1cc(on1)c1ccccc1)n2	ZINC22_77458892,MCULE-1333958349,EMOLS-id_43588449,PC-id_70759922	326.373	BEBXRTOLYPAUCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081456
c1(NC(=O)c2cccc(NC(=O)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_322615650,MCULE-8019807675	326.373	VJSQUPMWCJVYPU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-081457
c1(NC(=O)c2ccnc(NC(=O)C)c2)sc2c(CCC2)c1C#N	MCULE-4689250003,EMOLS-id_322615648	326.373	IZACSXGBYICMSF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-081458
c1(NC(=O)c2cc(on2)c2ccccc2)n(C)nc2CSCc12	ZINC22_1506414342,EMOLS-id_316260153,MCULE-9704308335	326.373	QROLGNLDLBWAFK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081459
c1(NC(=O)C(=O)NCc2ccccn2)sc2c(CCC2)c1C#N	ZINC22_6661456,PC-id_8029835,MCULE-5498480911,EMOLS-id_4733876,STOCK6S-06159	326.373	QTFFSLGSHRDASV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-081460
c1(NC(=O)C(=O)NCc2cccnc2)sc2c(CCC2)c1C#N	MCULE-7827724445,ZINC22_6673015,PC-id_17584771,STOCK6S-14275,EMOLS-id_4745989	326.373	DZNCGXDEQNPELW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-081461
c1(NC(=O)C(=O)NCc2ccncc2)sc2c(CCC2)c1C#N	EMOLS-id_4740746,MCULE-4538226882,STOCK6S-10753,ZINC22_6671810,PC-id_17583613	326.373	OMMYSXGUZYYMBD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-081462
c1(OC)ncc(cn1)C=CC(=O)Nc1sc2CCCc2c1C#N	MCULE-1813468714	326.373	WQVSRGUZIIMAEM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081463
Cc1noc(c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)n1	ZINC22_25769407,PC-id_33041114,EMOLS-id_30702599,MCULE-4398890166	326.373	KTUJARQCYQZTOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081464
COc1ncc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cn1	EMOLS-id_328103129	326.373	WQVSRGUZIIMAEM-AATRIKPKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081465
O=C(OCc1nnnn1c1ccccc1)c1cc2c(s1)CCC2	PC-id_27714675,ZINC22_17659595,CoCoCo_4014905,MCULE-6919063327,EMOLS-id_43943699	326.373	RVMKWQGRDGCKTF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081466
s1c2CCCc2cc1C(=O)NCc1onc(n1)c1ccncc1	PC-id_78841202	326.373	ORMFAEDICCKLAA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081467
S1Cc2c(noc2NC(=O)c2ccc(Cn3ccnc3)cc2)C1	PC-id_45505348	326.373	AYSNHBPROCXZOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081468
S1Cc2c(noc2NC(=O)c2c(n(nc2)c2ccccc2)C)C1	PC-id_49720062	326.373	KMKURVLCLOXDNG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081469
S1Cc2c(noc2NC(=O)c2n(nc(c2)c2ccccc2)C)C1	PC-id_49720063	326.373	MKMFCHQXTMFTPM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081470
c12SCCn1cc(CNC(=O)c1ccccc1n1cnnc1)n2	PC-id_119069853,ZINC22_426580653,EMOLS-id_82730077,MCULE-9373687224	326.376	FMKANRMPKYWKIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081471
c1(C(=O)NCc2cn3c(SCC3)n2)cn(nn1)c1ccccc1	EMOLS-id_43116277,PC-id_56896481,MCULE-4559519150,ZINC22_72155010	326.376	SNXLOYUTWDFWRA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081472
c1(C(=O)NCc2csc(c3ncccn3)n2)c2CCCc2[nH]n1	ZINC22_215927504,PC-id_77090599,EMOLS-id_49887399,MCULE-9138697420	326.376	QVKKNXSOVJWNID-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-081473
c1(NC(=O)c2ccccc2n2cncn2)n(C)nc2CSCc12	EMOLS-id_316166099,MCULE-6425382401,PC-id_134703354,ZINC22_1529145885	326.376	IOUZBZQECUOUBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081474
c1(NC(=O)Cc2ccc(cc2)n2cnnn2)sc2c(CCC2)n1	PC-id_71709320,STOCK7S-42897,EMOLS-id_48567594,ZINC22_47443488,EMOLS-id_49409564,MCULE-4167098461	326.376	TVGMPVFURIGBCX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081475
c
(=NC(=O)C(c2ccccc2)n2cnnn2)/sc2c(CCC2)[nH]1	PC-id_60177407,MCULE-2672514994,EMOLS-id_46565571	326.376	SGMUZAARIMEMQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081476
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)Cn1cnnn1	EMOLS-id_323240256,MCULE-6115200154	326.376	DVAROENIJIGASV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081477
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)n1c(C)nnn1	EMOLS-id_323227211,MCULE-2273312209	326.376	STEWDEPEYJPPIT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081478
c1(sc2c(CCC2)n1)NC(=O)c1cccc(c1)n1c(C)nnn1	EMOLS-id_323234116,MCULE-2074394371	326.376	OPUPVUSSDCNEMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081479
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(c1)n1cnnn1)C	MCULE-5117308829,EMOLS-id_323255872	326.376	QWMTZSBFWVWBJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081480
c1(sc2c(CCC2)n1)NC(=O)[C@H](c1ccccc1)n1cnnn1	STOCK7S-30620,EMOLS-id_44205068,PC-id_71829863,ZINC22_80330131,MCULE-1071967977	326.376	SGMUZAARIMEMQL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081481
O=C(c1cnc(s1)c1ncccn1)NCc1cnc2n1CCC2	EMOLS-id_319861823	326.376	SRSKIGPBASMCKM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-081482
O=C(c1csc(n1)c1cnccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_318793301	326.376	CZCPUJZCRSFOBS-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-081483
O=C(Nc1nc2c(s1)CCC2)[C@@H](c1ccccc1)n1cnnn1	ZINC22_80330185,PC-id_96564036	326.376	SGMUZAARIMEMQL-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081484
O=C(NC1CC(n2c1ncc2)C)NCC1CCCCC(C1)(F)F	EMOLS-id_101480021	326.385	RUDBNALCVZXUIF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-081485
s1c2CCCc2nc1NC(=O)c1ccc(SC(F)F)cc1	PC-id_41853565	326.385	LQCUAAZDFJNFEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081486
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)OCC2CC2)n1	MCULE-6661846838,EMOLS-id_330984703	326.39	WLCJLNNNTYHDJP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081487
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)OCC1CC1	MCULE-3312110065,EMOLS-id_330967739	326.39	XPISMAOCBDRMTI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081488
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(c2)OC2CC2)n1	EMOLS-id_330993140,MCULE-8574153848	326.39	FURBFDAKNWTCEY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081489
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(c1)OC1CC1	EMOLS-id_330974896,MCULE-1548695127	326.39	RKASIVKNBKVNFZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081490
CC(C)(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-1000034666,EMOLS-id_328214136	326.39	FRCNTNFDGLZQHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081491
CCC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-1008118283,EMOLS-id_328213361	326.39	AWABJRYFCQXWSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081492
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc2n1CCC2)C	SCHEMBL10998106,PC-id_20270364	326.39	LROFLOWMDRTUST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081493
CCOC(=O)CC1CCn2c1ccc2C(=O)c1ccc2n1CCC2	SCHEMBL10997373,PC-id_20270344	326.39	IXYOMLMSBCITOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081494
CCOC(=O)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215670,MCULE-4386796959	326.39	GSPQPESQYZUHFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081495
COc1cccc(c1)C1NCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_318740174,MCULE-2325842139	326.39	FNMDWETXVXGYJJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081496
COc1ccc(cc1)C1NCCN(C1)C(=O)c1occ2c1CCC2	MCULE-2003982448,EMOLS-id_318674373	326.39	IICKMRNRWIWNEQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081497
COC(=O)C(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213110,MCULE-6600551960	326.39	AXNFSRFBRXTAGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081498
COC(=O)CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5365186899,EMOLS-id_328212854	326.39	FEVGCANEJXDJHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081499
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCC(=O)O	MCULE-4712808906,EMOLS-id_328211839	326.39	QSBOGNIUXDRPBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081500
Oc1ccc(cc1)CN1CCN(CC1)C(=O)c1occ2c1CCC2	MCULE-8130672777,EMOLS-id_318712424	326.39	KTMZBNGAFWFAMA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081501
O=C(c1occ2c1CCC2)N1CCC(CC1)(O)Cc1ccccn1	EMOLS-id_316553882	326.39	KGQRKSJMPRPQFN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-081502
O=C(NC(CC)CO)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_85241233	326.39	STPKVWBJEVQTGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081503
O=C(N[C@H](CC)CO)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_10711240	326.39	STPKVWBJEVQTGA-GICMACPYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081504
C1c2c(onc2CS1)NS(=O)(=O)CCOc1ccccc1	PC-id_90518238	326.391	RLLZKDXKGLUMAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081505
c1(NC(=O)CS(=O)CC(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_320675946,MCULE-5341958552	326.391	FOHXNFCNSBDZMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081506
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)C(C)C(=O)O	MCULE-4123700604,EMOLS-id_186588036	326.391	FBGZJDBAICPAKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081507
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCC(=O)O	MCULE-8813248824,EMOLS-id_186621205	326.391	IBWXBAYSSDEYCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081508
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1c(C)noc1C	EMOLS-id_111942469	326.391	VVXGDJJCCOSBSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081509
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc([nH]c1)C(=O)O	PC-id_61206679	326.391	JMRBIGCFDCDKSP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-081510
s1c2c(CCC2)c(c1NC(=O)CN1CSCC1=O)C(=O)O	PC-id_43172353	326.391	HWJBIFPTZGIUDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081511
s1c2c(CCC2)c(c1NS(=O)(=O)c1cn(cc1)C)C(=O)O	PC-id_43294366	326.391	WSJNOLYJGDMRCH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-081512
c12c(C(=O)NN=C(c3ccc(OCC)cc3)CC)n[nH]c1CCC2	PC-id_1538954,MCULE-5211435937	326.393	SJUMNHFUXNDACO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081513
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)OCc1ccccn1	MCULE-4631061274,PC-id_77078710,EMOLS-id_49866672	326.393	NZBIQCWPKUPOCR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081514
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H]([C@@H](c2cccc(OC)c2)C1)N	ZINC22_91616529,MCULE-6872957275,EMOLS-id_46054913,PC-id_72879065	326.393	NLGSNUQBJLTLCQ-CABCVRRESA-N	00000010100000110001100010000000000000000000000000000000	25-01-081515
C1Cc2c(C1)[nH]nc2C(=O)NC(Cc1ccccn1)C1CC(C1)O	PC-id_91762545	326.393	HNDPXTJZEKOEPT-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-081516
C1Cc2nnc(n2C1)Cc1ccc(cc1)NC(=O)C1CCOCC1	EMOLS-id_50360106,MCULE-3331515448,PC-id_91652776	326.393	DJLYZIJYKCUXFT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081517
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)c1ccccc1OC	MCULE-1442366400,EMOLS-id_321297110	326.393	SVJLHQBFRUHPNP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081518
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)c1ccc(OC)cc1	EMOLS-id_321295576,MCULE-4644896831	326.393	LELPTELIWHSLAZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081519
C1CN(CC1CNC(=O)c1nn2CCOc2c1)Cc1ccccc1	MCULE-4542696346,EMOLS-id_316805100,PC-id_136543535	326.393	SUXMUEMSYIDKOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081520
c1(C(=O)N2CCC(CC2)(O)c2ccc(cn2)C)c2CCCc2[nH]n1	PC-id_56748155,ZINC22_67847772,EMOLS-id_36588198,MCULE-1496337765	326.393	YFWHKANXNMQHDA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081521
c1(C(=O)N2CCC(CC2)OCc2cccnc2)c2CCCc2[nH]n1	MCULE-4321800205,EMOLS-id_43579807,ZINC22_77420720,PC-id_70746002	326.393	VSZKFTJHIITGJR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081522
c1(C(=O)N2CCN(CC2)c2ccc(cc2)OC)c2CCCc2n[nH]1	EMOLS-id_44756228,ZINC22_49679167,MCULE-2474425301,STOCK7S-38073,EMOLS-id_49410028,PC-id_71684315	326.393	NGKXPJMPKHWMIP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081523
c1(C(=O)N2CCN(CC2)c2ccccc2OC)c2CCCc2n[nH]1	STOCK7S-42299,ZINC22_49679099,PC-id_71706784,MCULE-9871898361,EMOLS-id_49407225,EMOLS-id_48566488	326.393	XJOQLOMQFJQIBA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081524
c1(C(=O)N2CCN(CC2)c2cccc(OC)c2)c2CCCc2[nH]n1	EMOLS-id_323254718,MCULE-8002765949	326.393	ILWHKYBRYVLOQL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081525
c1(C(=O)NC2CCCCC2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316324154,MCULE-6489425639	326.393	DGEFCBODMKBZPH-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081526
c1(C(=O)NC2CCCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-8328522218,EMOLS-id_316253178	326.393	NGRNFBLTWDMDPK-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081527
c1(C(=O)NC2CCCCC2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-6785585552	326.393	NGRNFBLTWDMDPK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081528
c1(C(=O)Nc2ccccc2N2CCOCC2)c2CCCc2n(C)n1	MCULE-2973309638,PC-id_110389122,EMOLS-id_179745430	326.393	YHGFVPDZGPZVPC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081529
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)C(C)C	MCULE-9591859194	326.393	UGYAZRFVCUIIRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081530
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)C(C)C	MCULE-1045006639,EMOLS-id_316321593	326.393	UGYAZRFVCUIIRX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081531
c1(C(=O)N(CC2CCCO2)Cc2ccccn2)c2CCCc2[nH]n1	MCULE-8278401887,EMOLS-id_49868342,PC-id_77079665	326.393	GDMYUKHKRIWLLS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081532
CC1CC1c1ccc(o1)C=CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_72158871,MCULE-1130872811,EMOLS-id_33301349	326.393	ACZLCABEGRDNOJ-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-081533
Cc1cccc(c1)NC1CCN(CC1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_318047881,MCULE-4439240313	326.393	VXYORYGDIDSSMI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081534
Cc1cc(C(=O)N2CCn3nccc23)ccc1NC(=O)CC(C)C	EMOLS-id_177201738,ZINC22_375568870,MCULE-9055015548	326.393	YDBCJZYJDYDQIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081535
CCC1CN(CCN1C(=O)c1nn2c(c1)OCC2)c1ccccc1	MCULE-9435954324,EMOLS-id_316812523,PC-id_136543592	326.393	OQFRTWUIXZDMDU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081536
CC(C)(C)c1ccc(C(=O)C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_64289688,PC-id_75417434,MCULE-8942857090,EMOLS-id_48780360	326.393	LQBUBZHHBZPQAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081537
CC(C)CC(=O)Nc1ccc(NC(=O)c2cnn3c2CCC3)cc1	EMOLS-id_177279643,MCULE-8662572504,ZINC22_294494798	326.393	PUMVKWDTRBJBCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081538
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_58403287,PC-id_94822991	326.393	ACZLCABEGRDNOJ-AGMJWKPSSA-N	00100010101000000001100010000000000000000000000000000000	25-01-081539
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_58403290	326.393	ACZLCABEGRDNOJ-TUPWZPNASA-N	00100010101000000001100010000000000000000000000000000000	25-01-081540
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_58403295,PC-id_94822993	326.393	ACZLCABEGRDNOJ-JDQXGDOCSA-N	00100010101000000001100010000000000000000000000000000000	25-01-081541
C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_58403298	326.393	ACZLCABEGRDNOJ-SKVWCYETSA-N	00100010101000000001100010000000000000000000000000000000	25-01-081542
C[C@@H]1C[C@@H]1c1ccc(o1)/C=CC(=O)N(Cc1nnc2n1CCC2)C	PC-id_96000693	326.393	ACZLCABEGRDNOJ-OLSJYMTNSA-N	00100010101000000001100010000000000000000000000000000000	25-01-081543
C[C@H]1C(=O)c2c(N1C)ncn2CC(=O)Nc1ccc(cc1)C(C)C	SCHEMBL20192018,PC-id_134544849	326.393	OUKXNNQHARQNAX-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081544
C[C@@H](NC(=O)c1ccc(OCC2CC2)cc1)c1nnc2n1CCC2	PC-id_97021669,ZINC22_84667970	326.393	GEZUIIDXDCLCSN-GFCCVEGCSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081545
C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)c1nnc2n1CCC2	ZINC22_84667969,PC-id_97021668	326.393	GEZUIIDXDCLCSN-LBPRGKRZSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081546
CCN(C(=O)c1cccc(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319100739	326.393	RKRZCYBNZRQNON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081547
CC(NC(=O)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319208728	326.393	CUSYGOCZGOSDPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081548
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	SCHEMBL2920863,PC-id_9923384	326.393	XGYLZSNRIOBQMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081549
CN1CCN(CC1)C(=O)c1oc2c(n1)CN(C2)Cc1ccccc1	PC-id_97442814	326.393	QUOGOSXODBZCMY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081550
Cn1nc2c(c1NC(=O)c1ccc(N3CCOCC3)cc1)CCC2	EMOLS-id_44504706,ZINC22_63940298,MCULE-9914584609,PC-id_71935706	326.393	FRMWRJMSTVQAKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081551
CN(C)C(=O)CN(C(=O)c1c2c(nn1C)CCC2)c1ccccc1	ZINC22_903676475,MCULE-2315919838,PC-id_136569994,EMOLS-id_316949759	326.393	UUMYQZWIQMEVEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081552
CN(C(=O)c1occ2c1CCC2)C1CCN(c2cnccn2)CC1	MCULE-4881144648,ZINC22_585081955,EMOLS-id_177207825	326.393	JBPFTNXHIFZBAD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081553
COc1cccc(c1)C1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	MCULE-4355970707,EMOLS-id_319997793	326.393	DXFGBIDMSLLGBE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081554
COc1ccccc1C1CNCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_120734967	326.393	WMFGXACGZIACSW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081555
COc1cccc(c1)C1NCCN(C1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_316659816	326.393	YPPBHDHCCAPHEB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081556
COc1cccc(c1)C1NCCN(C1)C(=O)c1cnc2n1CCC2	EMOLS-id_316657769	326.393	JXVXHCVHALYLNV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081557
COc1cccc(c1)C1NCCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_316658023	326.393	YKRIGMLANCZEGM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081558
COc1ccccc1C1NCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316051733,MCULE-4113707709	326.393	UTVGJGXDWCRDGG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081559
COc1ccccc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1	ZINC22_374353397	326.393	UTVGJGXDWCRDGG-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081560
COc1ccccc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1	ZINC22_374353403	326.393	UTVGJGXDWCRDGG-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081561
COc1ccc(cc1)N1CC(CC1=O)NC1CC(n2c1ncc2)C	MCULE-3727715501,EMOLS-id_318394893	326.393	DJIQDTPHTHLAIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081562
COc1cc(ccc1N1CCCC1=O)NC1CC(n2c1ncc2)C	MCULE-7970756791,EMOLS-id_318011286	326.393	VWAIZPWNIOJNDG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081563
COc1ccccc1N1CCC(C1=O)NC1CC(n2c1ncc2)C	MCULE-8563463208,EMOLS-id_318364985	326.393	AOIBTMVONBRHEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081564
COc1cccc(c1)N1CC(CC1=O)NCc1c2CCCn2nc1	MCULE-1047343301,EMOLS-id_316871382,PC-id_136551898	326.393	UHILEGMEMYTCGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081565
COc1ccc(cc1NC1CCn2c1ncc2)C(=O)N1CCCC1	EMOLS-id_318424522,MCULE-2141577931	326.393	TVFKNBCNOGGPKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081566
COc1ccc(cn1)C1CCN(CC1)C(=O)c1cn2c(n1)CCC2	MCULE-2822034078,EMOLS-id_258217297	326.393	XGYNCKJZHIRYQS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081567
COc1ccc(cn1)C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	MCULE-6185331725,EMOLS-id_316665877	326.393	ACPGKLREICFNRV-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081568
COc1cccc(N2C[C@@H](NCc3cnn4c3CCC4)CC2=O)c1	ZINC22_1616044556	326.393	UHILEGMEMYTCGM-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081569
COc1cccc(N2C[C@H](NCc3cnn4c3CCC4)CC2=O)c1	ZINC22_1616044558	326.393	UHILEGMEMYTCGM-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081570
n1c(CNC(=O)c2ccccc2N2CCOCC2)c2c(CCC2)[nH]1	ZINC22_828182266,EMOLS-id_232866073,MCULE-9585100835	326.393	DIFQPLAUIFEOIL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081571
o1c(C2C(C2)C)ccc1/C=C/C(=O)N(Cc1n2CCCc2nn1)C	PC-id_51074978	326.393	ACZLCABEGRDNOJ-SOFGYWHQSA-N	00100010101000000001100010000000000000000000000000000000	25-01-081572
OC1CC(C1)[C@@H](NC(=O)c1n[nH]c2c1CCC2)Cc1ccccn1	PC-id_100014062	326.393	HNDPXTJZEKOEPT-TZDAIYRESA-N	00001010100000101001000010000000000000000000000000000000	25-01-081573
OC1CC(C1)[C@H](NC(=O)c1n[nH]c2c1CCC2)Cc1ccccn1	PC-id_100014065	326.393	HNDPXTJZEKOEPT-IJGSQOGDSA-N	00001010100000101001000010000000000000000000000000000000	25-01-081574
Oc1ccc(cc1)CN1CCN(CC1)C(=O)c1cnc2n1CCC2	MCULE-4459927943,EMOLS-id_320022721	326.393	XGRYXRKZFYVXKI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081575
Oc1ccc(cc1)CN1CCN(CC1)C(=O)c1cnn2c1CCC2	MCULE-7360028749,EMOLS-id_319919482	326.393	OTSKGVUBMSGGQV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081576
Oc1ccc(cc1)CN1CCN(CC1)C(=O)c1nc2n(c1)CCC2	EMOLS-id_319972504,MCULE-5956945364	326.393	AEVRHBROJPXIEE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081577
OC1CCN(CC1)c1ccccc1NC(=O)c1n[nH]c2c1CCC2	PC-id_110901921	326.393	IATMPDAUDYQKDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081578
O=C1C(N(c2ncn(c12)CC(=O)Nc1ccc(C(C)C)cc1)C)C	PC-id_67502185,SCHEMBL2695928	326.393	OUKXNNQHARQNAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081579
O=C1C(N(c2ncn(c12)CC(=O)NCCc1ccc(cc1)C)C)C	PC-id_67502635,SCHEMBL2696763	326.393	PUQAULSZVIKICZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081580
OC1CN(C(C1)c1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101702321	326.393	GWUBLKVIKKVEIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081581
O=C1COCCN1c1ccc(cc1C)NCc1cnc2n1CCC2	MCULE-9007713667,EMOLS-id_318685913	326.393	AWQDCIZTPSOSNH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081582
O=C1OCCN1c1cc(ccc1C)NC(c1nn2c(c1)CCC2)C	MCULE-1385353962,EMOLS-id_318723548	326.393	MKETZZGEPGKWGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081583
O=C1OCCN1c1cccc(c1C)NC(c1nn2c(c1)CCC2)C	MCULE-3595848693,EMOLS-id_318679565	326.393	ZBEDBAUJYHOYBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081584
O=C1OCCN1c1ccc(c(c1)NC(c1nn2c(c1)CCC2)C)C	MCULE-1438836217,EMOLS-id_318695365	326.393	DSFAARMWEWHRLG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081585
O(CC1CC1)c1ccc(C(=O)NC(c2n3CCCc3nn2)C)cc1	MCULE-5835639716,EMOLS-id_44501296,PC-id_71937545	326.393	GEZUIIDXDCLCSN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081586
O=C(C1CCc2n1c(=O)n(n2)Cc1ccc(cc1)C)N1CCCC1	SCHEMBL19609012	326.393	WUHSIUFJNLRILB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081587
O=C(c1ccccc1CN1CCOCC1)N1Cc2c(C1)cnn2C	EMOLS-id_318081459	326.393	XMRBIOSCCDQNBH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081588
O=C(c1ccccc1N1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318956051	326.393	LATOTGCOVIYLIQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081589
O=C(c1cccc(c1)NCc1cnc2n1CCC2)N1CCOCC1	EMOLS-id_318391299,MCULE-8541498298	326.393	IBZKILDCNGXTAB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081590
O=C(c1ccc(cc1)NCc1cnc2n1CCC2)N1CCOCC1	MCULE-6047402241,EMOLS-id_318169857	326.393	YTNCNSYWFSLYGG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081591
O=C(c1ccccc1OC1CCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_318095315	326.393	YETFBEOJFCQAQU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-081592
O=C(c1ccccc1OCc1nnc2n1CCC2)NC1CCCC1	EMOLS-id_319289751	326.393	HJVWIVNIABICIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081593
O=C(c1ccc(nc1)OC1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318846430	326.393	RWDKUDFGMISYQM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081594
O=C(c1ccnc(c1)OC1CCCCC1)NC1Cn2c(C1)cnc2	MCULE-8859428757,EMOLS-id_313146179	326.393	QACTXCAZTVXOMJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081595
O=C(C1NCc2c1c[nH]n2)N1CCC(C1)COCc1ccccc1	MCULE-2836816239,EMOLS-id_320054768	326.393	RMXKCWJCTMUAPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081596
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)OCc1ccccc1	MCULE-7345999027,EMOLS-id_320108931	326.393	UWTCRGBGFXGXHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081597
O=C(C1NCc2c1c[nH]n2)NCc1ccccc1OC1CCCC1	EMOLS-id_319009506	326.393	SOBRSOVHFMFRTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081598
O=C(C1NCc2c1c[nH]n2)NCC1(CCOCC1)c1ccccc1	MCULE-4084175945,EMOLS-id_319905750	326.393	CMZBDVPVBKEESV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081599
O=C(c1nn2c(c1)CC(C2)Oc1cccnc1)NC1CCCCC1	MCULE-5494865615	326.393	DGEFCBODMKBZPH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081600
O=C(c1nn2c(c1)OCC2)NC1CCN(C1)C(c1ccccc1)C	EMOLS-id_99546503	326.393	IDUQXIWUOIQQRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081601
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)(O)Cc1ccccn1	EMOLS-id_258130474,MCULE-6164140255	326.393	UKFMNZDEIWNONK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081602
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](OCc2ccccn2)C1	PC-id_99926192,ZINC22_214961788	326.393	NZBIQCWPKUPOCR-CQSZACIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081603
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](OCc2ccccn2)C1	ZINC22_214961833,PC-id_99926193	326.393	NZBIQCWPKUPOCR-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081604
O=C(c1n[nH]c2c1CCC2)Nc1cccc(c1)CN1CCOCC1	EMOLS-id_98196028	326.393	RNXUIMCODOZXLM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081605
O=C(c1n[nH]c2c1CCC2)NCc1ccccc1N1CCOCC1	EMOLS-id_97938479	326.393	VVENYZYCVQHQHZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081606
O=C(c1n[nH]c2c1CCC2)N(Cc1ccccn1)C[C@@H]1CCCO1	ZINC22_215039939,PC-id_99927320	326.393	GDMYUKHKRIWLLS-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081607
O=C(c1n[nH]c2c1CCC2)N(Cc1ccccn1)C[C@H]1CCCO1	ZINC22_215039986,PC-id_99927321	326.393	GDMYUKHKRIWLLS-CQSZACIVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081608
O=C(c1n[nH]c2c1CCC2)NCc1cccnc1OC1CCCC1	EMOLS-id_98045427	326.393	MYRVOULYOURZKL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081609
O=C(C(C)C)Nc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318829862	326.393	VLATZEKXPWTALT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081610
O=C([C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(cc1)C)N1CCCC1	SCHEMBL19584471	326.393	WUHSIUFJNLRILB-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081611
O=C([C@H]1NCc2n[nH]cc12)N1CC[C@@H](COCc2ccccc2)C1	ZINC22_1875287620	326.393	RMXKCWJCTMUAPI-PBHICJAKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081612
O=C([C@@H]1NCc2n[nH]cc12)N1CC[C@@H](COCc2ccccc2)C1	ZINC22_1875287621	326.393	RMXKCWJCTMUAPI-RHSMWYFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081613
O=C([C@@H]1NCc2n[nH]cc12)N1CC[C@H](COCc2ccccc2)C1	ZINC22_1875287622	326.393	RMXKCWJCTMUAPI-WMLDXEAASA-N	00000010100000110001000010000000000000000000000000000000	25-01-081614
O=C([C@H]1NCc2n[nH]cc12)N1CC[C@H](COCc2ccccc2)C1	ZINC22_1875287623	326.393	RMXKCWJCTMUAPI-YOEHRIQHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081615
O[C@H]1C[C@H](C1)C(Cc1ccccn1)NC(=O)c1n[nH]c2CCCc12	EMOLS-id_55609969	326.393	HNDPXTJZEKOEPT-CAEZCBTHSA-N	00001010100000101001000010000000000000000000000000000000	25-01-081616
O=C(N1Cc2c(C1)nc(o2)CN1CCCCC1)Cc1ccccn1	PC-id_97520343	326.393	YROXQAZUMZAQQZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081617
O=C(N1Cc2c(C1)[nH]nc2COCc1cccc(n1)C)CC1CC1	PC-id_97410204	326.393	ZDIVEISSQCNLMH-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-081618
O=C(N1CC(C1)NC1CC(n2c1ncc2)C)OCc1ccccc1	MCULE-7740334304,EMOLS-id_317977897	326.393	NECQNCLVAZKWDH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-081619
O=C(N1CCOC(C1)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101436603	326.393	MTXFMIBHSDWAEB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081620
O=C(N1CCOCC1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101579142	326.393	JSYZHTUGWPJAKJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081621
O=C(N(c1ccccn1)CC1CCCCC1)c1nn2c(c1)OCC2	EMOLS-id_99803939	326.393	STOJFDLZWIDZNF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081622
O=C(NCc1n[nH]c2c1CCC2)c1ccc(N2CCOCC2)cc1	MCULE-4819819403,ZINC22_1775998448,EMOLS-id_317027394	326.393	DHXKOWZBJKKFSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081623
O=C(NCCc1nnc2n1CCC2)c1ccc(OCC2CC2)cc1	EMOLS-id_45641311,MCULE-1964160791,ZINC22_65796162,PC-id_71937679	326.393	LGEQIVYHBPGEHY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-081624
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc2n(n1)CCO2	ZINC22_378028892	326.393	SUXMUEMSYIDKOP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081625
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc2n(n1)CCO2	ZINC22_378028894	326.393	SUXMUEMSYIDKOP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081626
O=C(N[C@H]1Cc2cncn2C1)c1ccnc(OC2CCCCC2)c1	ZINC22_585141127	326.393	QACTXCAZTVXOMJ-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081627
O=C(N[C@@H]1Cc2cncn2C1)c1ccnc(OC2CCCCC2)c1	ZINC22_585141128	326.393	QACTXCAZTVXOMJ-CQSZACIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081628
O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1n[nH]c2c1CCC2	ZINC22_252536058	326.393	HNDPXTJZEKOEPT-GHJWDPDVSA-N	00001010100000101001000010000000000000000000000000000000	25-01-081629
O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1n[nH]c2c1CCC2	ZINC22_252536059	326.393	HNDPXTJZEKOEPT-PVXIVEMSSA-N	00001010100000101001000010000000000000000000000000000000	25-01-081630
O=C(N/N=C(/c1ccc(OCC)cc1)CC)c1n[nH]c2CCCc12	PC-id_5533906	326.393	SJUMNHFUXNDACO-XDJHFCHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081631
s1c2CCCc2c(c1NC(=O)C[n+]1cc(ccc1)C(=O)C)C#N	PC-id_8830408	326.393	BOAKYCFJHNAQEA-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-081632
c1(NC(=O)CS(=O)CC(=O)NN)sc2c(CCC2)c1C#N	MCULE-7622532083,EMOLS-id_320676201	326.395	AOWMQRWRHDYRTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081633
Cc1sc(c(n1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_110389690	326.395	UNXSYPBWARDUTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081634
Cc1snc(c1C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_112065376	326.395	INOIGMIJEGUOOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081635
CC(=O)NCc1ccc(s1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-1251298131,EMOLS-id_316460366	326.395	VGNDTCDAXQSKTR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081636
CC(=O)NCc1ccc(s1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319742178	326.395	REHFQKYPIRJYFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081637
O=C(c1cc2n(n1)CCC2)NS(=O)(=O)c1sc(c(n1)C)C	EMOLS-id_112084280	326.395	AIKKHXLANXOQEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081638
O=C(c1cnn2c1CCC2)NS(=O)(=O)c1sc(c(n1)C)C	EMOLS-id_112084229	326.395	RUCYFFBFGIGUGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081639
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)Cc1cccs1	PC-id_68441473,SCHEMBL2921027	326.395	ATACZDYPOXMWKB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081640
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)Cc1cscc1	PC-id_68442481,SCHEMBL2923624	326.395	OKGRWLLIKOOQBT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081641
s1c2CCCc2cc1C(=O)Nc1nn(cc1S(=O)(=O)N)C	PC-id_61132128	326.395	BRVWDSUBJDKYKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081642
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1cc(NC)nc(C)n1	EMOLS-id_171574207,BDD-33353317,PC-id_110091328,MCULE-5765385054	326.396	LHWPJQKYYXKJFF-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-081643
c1(C(=O)N2CCN(CC2)c2c(C)ncc(C)n2)c2CCCc2[nH]n1	PC-id_77092230,ZINC22_216057332,EMOLS-id_49890185,MCULE-5697150309	326.396	WCSYERADGQEYCZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081644
c1(C(=O)NCCc2ncnc(N3CCCC3)c2)c2CCCc2[nH]n1	PC-id_56897519,ZINC22_72428758,EMOLS-id_43120427,MCULE-8018905815	326.396	AFJCGUJUMKYBKN-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-081645
Cc1ccc(N2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)nn1	MCULE-9535037123,PC-id_53573287,ZINC22_69512705,EMOLS-id_36343880	326.396	TZSFUDFXGYIERG-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-081646
Cc1ccc(NC2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)nn1	PC-id_53616067,MCULE-6691933697,ZINC22_69899089,EMOLS-id_36683645	326.396	KMDUAWWYLOUHTF-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-081647
Cc1cc(C)nc(n1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110536544	326.396	GXMOUXNMMSQSOK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081648
Cc1cc(C)nc(N2CCN(C(=O)c3cnc4n3CCC4)CC2)n1	EMOLS-id_324032126,MCULE-2098428152,PC-id_146077483,ZINC22_613418580	326.396	JIEPXEOWHAUTHE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081649
CC1CN(C(C1)c1cccnc1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318597062	326.396	SVBPYIWIQXDHGY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081650
CCN(c1ccc(c(c1)OC)N=C1C(=Nn2c1nc(n2)C)C)CC	PC-id_102010477	326.396	MIXBHLDTDLBLGJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-081651
CN1CCN(c2ccc(NC(=O)c3cnn4c3CCC4)cn2)CC1	ZINC22_517010311	326.396	DNLYYFXQVOLOIQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081652
CN1CCN(CC1)c1ccc(cn1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98168869	326.396	JGKGZPCRPOBLEF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081653
CN1CCN(CC1)C(=O)c1n[nH]c2c1CN(C2)Cc1ccccn1	PC-id_97389048	326.396	RBACKTIALUMVDK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081654
CNc1cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nc(C)n1	ZINC22_257261560	326.396	LHWPJQKYYXKJFF-AWEZNQCLSA-N	00000010100000100001100010000000000000000000000000000000	25-01-081655
CNc1cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nc(C)n1	ZINC22_257261561	326.396	LHWPJQKYYXKJFF-CQSZACIVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-081656
CN(c1cccnn1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	PC-id_56778572,ZINC22_71863507,EMOLS-id_36953319,MCULE-5652718399	326.396	SPPIIBSNBKRFPU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-081657
CN(C1CCN(C1)C(=O)c1n[nH]c2c1CCC2)Cc1ncccn1	MCULE-6950871952,EMOLS-id_316042489	326.396	VWLPUTCZKHBHTL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081658
CN(Cc1ncccn1)[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_276092011	326.396	VWLPUTCZKHBHTL-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081659
CN(Cc1ncccn1)[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_276092016	326.396	VWLPUTCZKHBHTL-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-081660
CN(Cc1nnc2n1CCC2)C(=O)c1cccnc1N1CCCC1	MCULE-3474884881,ZINC22_42749411,PC-id_53502506,EMOLS-id_35706548	326.396	QJXXSMOIYQHHNO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081661
COCCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C)C)CC	PC-id_102010480	326.396	POCXRKRADVJZKK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-081662
n12CCCc1nnc2CNC(=O)C(c1cccnc1)N1CCCC1	EMOLS-id_46649984,PC-id_72937034,MCULE-4459044530	326.396	BSJFKUDKIXPKJN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081663
N[C@@]1(c2ccccc2)CCN(C(=O)NCc2nnc3n2CCC3)C1	ZINC22_2325766159	326.396	JQCOXLAWHVRYIT-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081664
N[C@]1(c2ccccc2)CCN(C(=O)NCc2nnc3n2CCC3)C1	ZINC22_2325766160	326.396	JQCOXLAWHVRYIT-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081665
NC(=O)c1ccccc1N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_279082990	326.396	GYCHMONPDWARQW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081666
O=C(C1CCCN(C1)c1cnccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319538216	326.396	BTTIRGBRLQCUII-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081667
O=C(C1CCCN(C1)c1ncccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319387356	326.396	JASATRHILLRVIH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081668
O=C(C1CCCN(C1)c1nccnc1)NCc1cnc2n1CCC2	EMOLS-id_319220636	326.396	QUXFTGWJODWGHA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081669
O=C(C1CCN(CC1)c1cnccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_318884233	326.396	UBCNRPCMQJKOBA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081670
O=C(C1CCN(CC1)c1ncccn1)NCc1cnc2n1CCC2	EMOLS-id_318941682	326.396	AIOGOZJALFCPHJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081671
O=C(C1CCN(CC1)c1ncccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_318919507	326.396	KOMVHVUHMMFTOW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081672
O=C(C1CCN(CC1)c1nccnc1)NCc1cnc2n1CCC2	EMOLS-id_319399436	326.396	FSCOFOWNECACSU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081673
O=C(c1cnc(nc1N)C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101677922	326.396	BTOVUIRUWUECLI-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-081674
O=C(C1NCc2c1c[nH]n2)NCC1CCN(CC1)c1ccncc1	EMOLS-id_318802628	326.396	INYQOQIVGSXFSP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081675
O=C(c1ncccc1NCC1CCC1)NC1CC(n2c1ncn2)C	EMOLS-id_319738746	326.396	FYWHBKCRIMYUJF-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-081676
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1Cn1cc(C2CC2)nn1	MCULE-2933335717,EMOLS-id_72960315,ZINC22_299742686,PC-id_120949781	326.396	IJOOHQVZPOOYRC-LBPRGKRZSA-N	00100010100000000001100010000000000000000000000000000000	25-01-081677
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)N1CCCC1	EMOLS-id_319165105	326.396	WCIJRHFUYVCEEZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081678
O=C(N1CCCC1c1cccnc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318524714	326.396	FVGRIZAWIXYZFH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081679
O=C(N1CCC(CC1)c1ccncc1)NCc1nnc2n1CCC2	EMOLS-id_100727117	326.396	VTYWWKLSQJSISW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081680
O=C(N1CCN(CC1)c1ccccn1)NC1CC(n2c1ncc2)C	EMOLS-id_101434191	326.396	OZJXXAXXWAMBAU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081681
O=C(Nc1c(N2CCCC2)cccc1)NCc1n2CCCc2nn1	PC-id_60448902	326.396	AOWKZLDSZYWSLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081682
O=C(NCc1nnc2n1CCC2)c1cccnc1N1CCCCC1	ZINC22_56373561,EMOLS-id_32060082,PC-id_51088912,MCULE-1106466905	326.396	SCZPUVAJRQRUMU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081683
O=C(NCc1nnc2n1CCC2)[C@H](c1cccnc1)N1CCCC1	PC-id_97210055,ZINC22_95391153	326.396	BSJFKUDKIXPKJN-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081684
O=C(NCc1nnc2n1CCC2)[C@@H](c1cccnc1)N1CCCC1	ZINC22_95391154,PC-id_97210056	326.396	BSJFKUDKIXPKJN-MRXNPFEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081685
O=C(NCc1nnc2n1CCC2)N1CCN(c2ccccc2)CC1	CoCoCo_4574129,PC-id_45803866,EMOLS-id_31871623,ZINC22_40487716,MCULE-6436020887	326.396	PWUBWOJCCDYVOA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081686
Cc1cc(ccc1F)S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318550206	326.41	IQRDFASRVTVFIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081687
Cc1ccc(c(c1)F)S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318670456	326.41	RCURPBDJVUMBJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081688
Cc1ccc(c(c1)S(=O)(=O)NCc1sc2c(n1)CCC2)F	EMOLS-id_318490804	326.41	YZVPBYNGPOGUGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081689
Cc1cccc(c1S(=O)(=O)NCc1sc2c(n1)CCC2)F	EMOLS-id_318514251	326.41	JIGLNUHARANWDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081690
Cc1cc(F)cc(c1)S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318506436	326.41	MAVXXJJAOHWFCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081691
Fc1cccc(c1C)S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318536635	326.41	LGYBBNODSKWQJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081692
Fc1cc(ccc1NCc1sc2c(n1)CCC2)S(=O)(=O)C	EMOLS-id_318472924,MCULE-6307860095	326.41	UGZCHNKURWMDKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081693
Fc1ccc(cc1S(=O)(=O)C)NCc1sc2c(n1)CCC2	EMOLS-id_318049281,MCULE-6041648256	326.41	QABVUWLTUCXUKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081694
Fc1ccc(c(c1)S(=O)(=O)NCc1sc2c(n1)CCC2)C	EMOLS-id_318596058	326.41	APROMFRDIMVLKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081695
Fc1cc(C)c(c(c1)C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_107327016	326.41	JGIHWNCSWXEBPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081696
s1c2CCCc2cc1CNc1c(F)cc(S(=O)(=O)N)cc1	PC-id_64323342	326.41	DIMBAIYYISEIAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081697
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(F)c(N)cc1	PC-id_82845701	326.41	CLFBYNBJEKBKNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081698
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(N)ccc1F	PC-id_61207205	326.41	MBMMGBYWSXCAJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081699
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(N)cc(F)c1	PC-id_63322355	326.41	VTQVUVPUCNCHFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081700
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(N)c(F)cc1	PC-id_61209124	326.41	ZBKNKNLJSUPMKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081701
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(F)cc(N)cc1	PC-id_61720084	326.41	QWKQFBGOGMUMKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081702
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(N)cccc1F	PC-id_61891680	326.41	LEASYYGKDMYPMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081703
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(N)ccc(F)c1	PC-id_61208543	326.41	IYAPWWDYMAOBEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081704
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(N)cc(F)cc1	PC-id_61208146	326.41	LPZATDBLBSTZKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081705
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(N)c(F)ccc1	PC-id_64180549	326.41	ORRBAROMYGXBGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081706
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387229,MCULE-8224028601	326.411	XMPXGRITYNHNSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081707
COCCNC(=O)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956521	326.411	LMMPDMRJGYZJHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081708
COC(=O)c1sc2c(CN(C(=O)OC(C)(C)C)C2(C)C)c1N	EMOLS-id_317489369	326.411	KEUCPSMSVNNTPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081709
Fc1ccc(cc1)C1=CCC(CC1)NC(c1nnc2n1CCC2)C	MCULE-5521813274,EMOLS-id_318294246	326.411	PGFIAYMKIBRVCK-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-081710
O=C(c1occ2c1CCC2)N1CCCCC1CNS(=O)(=O)C	EMOLS-id_318132933	326.411	AICCWNBWNKMSKW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-081711
c1(cccc(C(C)C)c1O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328154185,MCULE-3558399785	326.413	UOKKNSUURCKPSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081712
c1(NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCC2)c1C#N	PC-id_924844,EMOLS-id_1487154,ZINC22_514048,SPECS-id_AN-153/I224141,MCULE-3474782203,BAS-06848368,CoCoCo_356035	326.413	GCRJKTWYBFDTQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081713
c1(NC(=O)c2ccc(cc2)OCCC)sc2c(CCC2)c1C#N	TIMTEC401884,MCULE-9230488616,BAS-01506159,ZINC22_2590931,PC-id_2066026,EMOLS-id_1338847,CoCoCo_201718,SPECS-id_AN-153/I215686	326.413	QIBOSPKPXDSVKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081714
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	PC-id_73553091,MCULE-2080254362	326.413	HXPUECGWEOBKLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081715
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)NC	PC-id_72073391,MCULE-4528261969	326.413	XZUVFECBQJUANJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081716
c1(NC(=O)CCc2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_322614626,MCULE-3258200483	326.413	JKBXWQWDQUOFPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081717
c1(NC(=O)CCc2ccc(OC)cc2)sc2c(CCC2)c1C#N	ZINC22_2763683,TIMTEC502606,PC-id_17368722,EMOLS-id_4008699,CoCoCo_5832466,MCULE-5569165410	326.413	VKJHDLUDPRMNCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081718
c1(NC(=O)CCOc2ccc(cc2)C)sc2c(CCC2)c1C#N	MCULE-8107548660,PC-id_108802792,EMOLS-id_182621453	326.413	AOGNWHJRQMLLEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081719
c1(NC(=O)CCOc2ccccc2C)sc2c(CCC2)c1C#N	MCULE-9873449297,EMOLS-id_322821160	326.413	HJDBEDUBUGUDIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081720
c1(NC(=O)CCOc2cccc(C)c2)sc2c(CCC2)c1C#N	MCULE-5083249173,EMOLS-id_322821416	326.413	KPBFRCGHTBOCEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081721
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBL1525782,PC-id_772496,CHEMBL1525782,CoCoCo_137414,ChEMBL-DNDi_CHEMBL1885-0481,MCULE-5048091063,STOCK5S-56598,ZINC22_256538,EMOLS-id_1279596	326.413	OWOAJQSVWWBCHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081722
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C#N	EMOLS-id_1487130,BAS-06848313,ZINC22_35185,MCULE-5496646940,PC-id_673205,CoCoCo_356023	326.413	ZRWBGWMBYYMKIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081723
c1(NC(=O)COc2cc(C)cc(C)c2)sc2c(CCC2)c1C#N	MCULE-2090967367,EMOLS-id_322614368,PC-id_924823	326.413	WJUNRESRDWOVTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081724
CC1(C)CCc2sc(NC(=O)OCc3ccccc3)c(C#N)c12	EMOLS-id_331262019	326.413	OFDDFDPWHPKCTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081725
Cc1cccc(C)c1OCC(=O)Nc1sc2CCCc2c1C#N	MCULE-7851126105,EMOLS-id_328031365	326.413	BJOKLRGOZMSFDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081726
Cc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N)cc1	PC-id_19177196,EMOLS-id_181348394	326.413	HXPUECGWEOBKLR-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081727
Cc1ccc(C)c(OCC(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_328051333,MCULE-2738559709	326.413	PLPMIXAAMKLBAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081728
Cc1cc(C)c(OCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-9924969187,PC-id_924826,EMOLS-id_322624590	326.413	WUTZLSDHHNHJQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081729
CCc1ccccc1OCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322614624,MCULE-5848048578	326.413	FHLBJWSKRMYBAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081730
CCCOc1ccc(c(c1)O)/C=Nc1sc2c(c1C#N)CCC2	CoCoCo_3761434	326.413	IZXQOVFOWWKISP-JAIQZWGSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081731
CCCOc1ccc(c(c1)O)C=Nc1sc2c(c1C#N)CCC2	EMOLS-id_26177151,MCULE-3637102922	326.413	IZXQOVFOWWKISP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081732
CCCOc1ccc(/C=N/c2sc3c(c2C#N)CCC3)c(O)c1	ZINC22_3236497,CoCoCo_3761433,PC-id_135675942	326.413	IZXQOVFOWWKISP-RGVLZGJSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081733
CCOc1ccc(CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	EMOLS-id_327887980,PC-id_8719642,MCULE-5640384966	326.413	MLDOGUWIJYKTOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081734
CNC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_2580141	326.413	XZUVFECBQJUANJ-KHPPLWFESA-N	00000010100000110000000010000000000000000000000000000000	25-01-081735
CNC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2	PC-id_7195548,ZINC22_4335439,EMOLS-id_26459813,CHEMBL1435777,CoCoCo_2580140	326.413	XZUVFECBQJUANJ-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081736
COc1ccccc1CCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322821671,MCULE-6181151358	326.413	WXQWPCKONCSLBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081737
O=C1NCC(C1)c1cccc(c1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_100953831	326.413	RHBNWLHDSLUTRC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-081738
O=C(C1CC1c1ccccc1)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8289504,PC-id_60001384	326.413	BMFNCSQKZMPJLE-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-081739
O=C(CCCOc1ccccc1)Nc1sc2CCCc2c1C#N	EMOLS-id_322613856,MCULE-6459010292	326.413	LYMRBUHFNWYABB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081740
O=C(N1CCc2c1cc(s2)C(=O)N1CCCC1)c1ccccc1	PC-id_97407184	326.413	RPYZNQZLLUMLQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081741
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc2c(s1)CCC2	PC-id_37436055,MCULE-9957217887,ZINC22_30231458,EMOLS-id_36629422	326.413	SYTGAPWPIQCABW-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-081742
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc2c(s1)CCC2	ZINC22_8242813,PC-id_9371194	326.413	FZPSGIQBBCPEEU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-081743
O=C(NCC1CC1)c1cc2c(s1)CCN2C(=O)c1ccccc1	EMOLS-id_44378914,PC-id_97524474,ZINC22_96264535	326.413	PLAFUFALBCKMSD-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-081744
O=C(NCc1ccccc1)c1cc2c(s1)CCN2C(=O)C1CC1	EMOLS-id_44303614,PC-id_97442347,ZINC22_96146820	326.413	STKYTVCEZZPJBB-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-081745
s1c2CCCc2cc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1	PC-id_31842512	326.413	LRUIRJYZXSJPOT-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-081746
s1c2CCCc2cc1C(=O)Nc1cc(N2CCCC2=O)ccc1	PC-id_8134987	326.413	KHFSHTRDDBDGPJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-081747
s1c2CCCc2cc1C(=O)Nc1c(C(=O)NC2CC2)cccc1	PC-id_26905597	326.413	VSNMMHSVAOLUKO-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-081748
s1c2CCCc2cc1C(=O)Nc1c(N2CCCC2=O)cccc1	PC-id_38712973	326.413	SOXDWZPQMYVDNL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-081749
s1c2CCCc2c(c1N=Cc1cc(OC)c(OCC)cc1)C#N	PC-id_50886461	326.413	NSCDLXBEGQSIGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081750
s1c2CCCc2c(c1N/C=C/1C(=O)C=C(OCCC)C=C1)C#N	PC-id_16238950	326.413	LWZMYWPOGSFVTP-QXMHVHEDSA-N	00000010100011000000000010000000000000000000000000000000	25-01-081751
s1c2CCCc2c(c1N/C=C
/C(=O)C=C(OCCC)C=C1)C#N	PC-id_5674812	326.413	LWZMYWPOGSFVTP-VAWYXSNFSA-N	00000010100011000000000010000000000000000000000000000000	25-01-081752
s1c2CCCc2c(c1NC=C1C(=O)C=C(OCCC)C=C1)C#N	PC-id_6781527	326.413	LWZMYWPOGSFVTP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-081753
s1c2c(CCC2)c(c1N(CCC(=O)O)Cc1ccccc1)C#N	PC-id_82309710	326.413	QYRPQWVAPPMCGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081754
s1c2CCCc2c(c1NC(=O)c1cc(OCCC)ccc1)C#N	PC-id_4511577	326.413	HPLZJELCPQZPJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081755
s1c2CCCc2c(c1NC(=O)c1cc(OC(C)C)ccc1)C#N	PC-id_924849	326.413	UVSYCZGNNKBSNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081756
s1c2CCCc2c(c1NC(=O)Cc1cc(c(OC)cc1)C)C#N	PC-id_16848093	326.413	DSNYLKCWOOKYNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081757
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccccc1)(C)C)C#N	PC-id_30309448	326.413	XHKVJBFUQCTZQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081758
s1c2CCCc2c(c1NC(=O)COc1ccc(CC)cc1)C#N	PC-id_924825	326.413	HCDLBNJEJSOKGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081759
c12CN(Cc1n(nc2C(=O)NC1CC1)C)S(=O)(=O)CCCC	EMOLS-id_207862905,MCULE-7992361494	326.414	NNCPIOQGZMPDAQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-081760
c1(NC(=O)C(=O)NCCCO)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617870,CoCoCo_5184690,MCULE-6316080106,ChEMBL-DNDi_CHEMBLF2780-0696,ZINC22_5438103,PC-id_7685472	326.414	PCGFCTUVTYHYAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081761
c1(NC(=O)C(=O)NCCOC)c2CSCc2nn1C(C)(C)C	CoCoCo_5184686,EMOLS-id_5617862,PC-id_7685466,ZINC22_5438093,ChEMBL-DNDi_CHEMBLF2780-0692,MCULE-1590611118	326.414	XXNNIEHYKXQJJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081762
CCCC1(C)C(=O)NCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101176728	326.414	PEIPPAYWPLNIFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081763
CC(CC1C(=O)NCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101183951	326.414	ZFBYZHVRHYXDRT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081764
CC(C)(C)O/C(=N/CC/C(=N/Cc1cn2c(n1)SCC2)/O)/O	MCULE-5735587231,EMOLS-id_76031104,PC-id_121569003,ZINC22_328594476	326.414	MSHQFYFTBZVTHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081765
CC(CN1CCN(CC1=O)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100609304	326.414	PWUWQCJZGBYSJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081766
CCN(C1CCS(=O)(=O)C1)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_177492586,MCULE-6480771183,PC-id_121511327	326.414	YNKYXRHBZNKSSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081767
CCN(C(=O)NCc1n[nH]c2c1CCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_426674368	326.414	YNKYXRHBZNKSSZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-081768
CCN(C(=O)NCc1n[nH]c2c1CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_426674370	326.414	YNKYXRHBZNKSSZ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081769
CC(=O)N1CCC(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176434	326.414	WTIDVFOTIZJWLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081770
CC(=O)N1CCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100386793	326.414	PKLRSDKGCRCEPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081771
CCS(=O)(=O)N1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_110306798	326.414	IGRQYIDHUQKBCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081772
CN1CCS(=O)(=O)C[C@@H]1CC(=O)Nc1c2c(nn1C)CCC2	ZINC22_644313984	326.414	HXGSAVUTWAGKHK-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-081773
CN1CCS(=O)(=O)C[C@H]1CC(=O)Nc1c2c(nn1C)CCC2	ZINC22_644313987	326.414	HXGSAVUTWAGKHK-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081774
CN(C(=O)c1n[nH]c2c1CCC2)C1CCN(S(=O)(=O)C)CC1	PC-id_139006147,ZINC22_408273431,EMOLS-id_111316729,MCULE-6282025791	326.414	CTQRFTNOALWHEF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081775
CS(=O)(=O)NCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	EMOLS-id_324037376,MCULE-7392139126,ZINC22_286854889,PC-id_146086832	326.414	GQUGELBDQUDUAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081776
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_298578283	326.414	FERWHHROYQSCEU-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-081777
CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_298579607	326.414	FERWHHROYQSCEU-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081778
NC(=O)CCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100243132	326.414	GOGBPZLJBWIAJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081779
O=C1CC(CN1C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238074	326.414	RAHBOWWAPHGTRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081780
O=C(C1CCCCN1S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_319905063,MCULE-5138793436	326.414	CVSUIEUNQJNGEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081781
O=C(C1CCN(CC1)S(=O)(=O)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110216809	326.414	PJRRAFNOCPJBRX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081782
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)CNS(=O)(=O)C	EMOLS-id_110355758	326.414	DJRSKFMKEDSFNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081783
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)N(S(=O)(=O)C)C	EMOLS-id_110589450	326.414	DFENWKABNVHPSM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081784
O=C(c1n[nH]c2c1CCC2)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_110307750	326.414	DVCGPSCWMQHUOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081785
O=C([C@H]1CCCN(C1)S(=O)(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319300865	326.414	FJYBSWQZJMWCLU-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-081786
O=C(N1CCCCC1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100205017	326.414	JFMACRUADLAWOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081787
O=C(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C(C)C	EMOLS-id_100173932	326.414	QTFJRSRTHVRFFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081788
O=C(Nc1n(C)nc2c1CCC2)CC1CS(=O)(=O)CCN1C	EMOLS-id_316082571,MCULE-6658897076	326.414	HXGSAVUTWAGKHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081789
O=S(=O)(c1cnc2n1CCC2)NCC1(CC1)N1CCOCC1	EMOLS-id_100904052	326.414	SQSRQSUWZWFBSU-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-081790
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NC[C@@H](O)C	PC-id_7685473	326.414	PMZYTQXGAYAGJW-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081791
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NC[C@H](O)C	PC-id_7685474	326.414	PMZYTQXGAYAGJW-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081792
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCC(O)C	PC-id_78524946	326.414	PMZYTQXGAYAGJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081793
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)C(C)C	PC-id_44052970	326.414	VFMLJCLYTYAWEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081794
S1Cc2c(nn(c2NC(=O)CCC)CC(=O)NCCOC)C1	PC-id_44052969	326.414	QSLQABMXUMTBSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081795
S1Cc2c(nn(c2NC(=O)COCC)CC(=O)NCCC)C1	PC-id_44052868	326.414	RSQWQBMUEAQQGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081796
c12CN(Cc1n(nc2)CCO)Cc1scc(c2ccccc2)n1	PC-id_77088564,ZINC22_215763183,EMOLS-id_49883875,MCULE-8682685997	326.416	PXNWPCOXDAMBNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081797
Cc1ccc(C)n1c1sccc1C(=O)N1Cc2cnn(C)c2C1	ZINC22_623237681	326.416	GNBQKXHBYIQSLQ-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-081798
Cc1ccc(s1)c1c[nH]cc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318916803	326.416	PGKISSIYQDJEBX-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-081799
Cc1ccc(s1)c1c[nH]cc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319028855	326.416	ATCJBVPFCWENDZ-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-081800
Cc1cn(cn1)c1c(cc(cc1)Nc1nc2c(s1)CCC2)OC	PC-id_86624684,SCHEMBL1037827	326.416	PWBAVLCICCOWAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081801
CC1=NN(c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)CC1	PC-id_51115549,GD-id_ZINC45882041,ZINC22_45882041,EMOLS-id_33349704,MCULE-9256943324	326.416	GPBNNOAVMFGFHI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-081802
N#Cc1ccc(cc1)CC(=O)Nc1nc2c(s1)CN[C@H]2C(C)C	PC-id_117688926,SCHEMBL16224761	326.416	XCLRWCHGLVQQHP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081803
O=C(c1cccn1Cc1cccs1)NCc1cnc2n1CCC2	EMOLS-id_319992312,MCULE-3410353598	326.416	UKDWRPUQHIGSTK-UHFFFAOYSA-N	00000010110100000001000010000000000000000000000000000000	25-01-081804
O=C(c1cccn1Cc1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_319282366	326.416	ARMKMONTPGXODV-UHFFFAOYSA-N	00000010110100000001000010000000000000000000000000000000	25-01-081805
O=C([C@@H]1CSC(=N1)c1ccccc1)Nc1n(C)nc2c1CCC2	EMOLS-id_258039072,MCULE-6144251097	326.416	VTPUVFSBKZXRCJ-AWEZNQCLSA-N	00000011100000110001100010000000000000000000000000000000	25-01-081806
CN(Cc1nc2CCCc2s1)C1CN(C1)c1nccnc1C#N	EMOLS-id_320316072,PC-id_139028693,ZINC22_1776008865,MCULE-3975341036	326.419	QDTRQZPBCLRBLR-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-081807
OC(=O)N1Cc2c(C1)c(n(n2)COCC[Si](C)(C)C)C(=O)N	PC-id_67957658,SCHEMBL9899371	326.424	HIDVFQYVXOCKET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081808
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)CC(C)C)n1	EMOLS-id_330991602,MCULE-4215745771	326.433	MYQLBHDDYIHINQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081809
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)C(C)(C)C)n1	MCULE-8058573216,EMOLS-id_330991858	326.433	GDQNYZWKNKBFML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081810
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)CC(C)C	EMOLS-id_330969278,MCULE-6974548691	326.433	MLFXROSAPNXEKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081811
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)C(C)(C)C	MCULE-9614072905,EMOLS-id_330969534	326.433	ZDJUJGIPRUWHQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081812
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C(C)C	EMOLS-id_330976183,MCULE-8328747514	326.433	UKRSXIIGVGZGEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081813
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)CCC	MCULE-1470556706,EMOLS-id_330976439	326.433	AEWMUMUAXRPSPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081814
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1c(C)cc(c(C)c1)C	EMOLS-id_330975671,MCULE-7829718801	326.433	QAFDLIQMWUUUPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081815
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(C(C)C)c1	MCULE-4453166562,EMOLS-id_330973370	326.433	MNSZQBRHGDSDDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081816
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)C(C)C)n1	EMOLS-id_330996472,MCULE-4750780781	326.433	ARAAAKRXASBFQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081817
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2C(C)C)n1	MCULE-3380209981,EMOLS-id_331001328	326.433	FWLWDLRIOUSUJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081818
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)CCC)n1	MCULE-6165383145,EMOLS-id_330996216	326.433	JOPTUOWHNNNTIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081819
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(C)cc(cc2C)C)n1	MCULE-6688237496,EMOLS-id_331001072	326.433	DPDVATXBESDPND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081820
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(C)cc(c(C)c2)C)n1	MCULE-2880155453,EMOLS-id_331000816	326.433	YAKZEHHMHUGQTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081821
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(C(C)C)c2)n1	EMOLS-id_331000049,MCULE-9911774955	326.433	FSETYWRSHGLJPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081822
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1C(C)C	EMOLS-id_330977980,MCULE-9823998831	326.433	MHTOIGCLDDGCII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081823
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)CCC	EMOLS-id_330981043,MCULE-7524574217	326.433	MXKBAKLGYUPGMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081824
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)C(C)C	MCULE-1873354650,EMOLS-id_330981299	326.433	QEPLURCDQSALCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081825
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1c(C)cc(c(C)c1)C	MCULE-1737250673,EMOLS-id_330977468	326.433	CJSJSGLVTXXGGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081826
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(C(C)C)c1	EMOLS-id_330980796,MCULE-5719003374	326.433	BDINAHYBXLSAQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081827
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)CC	EMOLS-id_330978493,MCULE-8215771825	326.433	SXFXBIMBTQXUDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081828
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1C)C	EMOLS-id_330978749,MCULE-4883289159	326.433	PKVXGNVGNZMLBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081829
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccccc1CC	MCULE-6880866181,EMOLS-id_330982833	326.433	OJJJIRKJZQKBIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081830
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)C	EMOLS-id_330978237,MCULE-7288633392	326.433	RMTAIJMPNGSZGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081831
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(C)ccc1C	EMOLS-id_330981055,MCULE-8321329040	326.433	BIWCVFHVVGCSQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081832
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(C)c1C	MCULE-9349313522,EMOLS-id_330982320	326.433	TUVZZCGIYOZCSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081833
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(CC)c1	MCULE-2580301601,EMOLS-id_330981311	326.433	QPBWQBPPGUGONC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081834
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(C)cc(C)c1	MCULE-9712196036,EMOLS-id_330982064	326.433	MEAOHVASBSZOQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081835
CC(C)C(CO)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1549532533,EMOLS-id_328213116	326.433	TXHDUDIOBCLNLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081836
CC(C)(CO)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215420,MCULE-4868419559	326.433	PEVDOJLSROWSJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081837
CCOCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-4998014116,EMOLS-id_328211070	326.433	NMTCRSSCVLMKMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081838
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(C)cc(C)cc1C	MCULE-4592615267,EMOLS-id_330977724	326.433	BKEPVVMFNZHIAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081839
CCOC(=O)c1c2C(C)CCc2nn1C(C)c1c(C)cccc1C	MCULE-4271830241,EMOLS-id_330983089	326.433	XFDRSECZBFWUAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081840
COC(=O)c1c2C(C)CCc2nn1C(C)c1c(C)cc(C)cc1C	MCULE-8675332978,EMOLS-id_330975927	326.433	VDQIBZQTCZRPRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081841
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCCO	EMOLS-id_328213365,MCULE-7036561449	326.433	CRMICZBJIADHFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081842
NCC(OCCc1ccc(cc1)C(=O)c1ccc2n1CCC2)(C)C	SCHEMBL19749150	326.433	MDPXSBZJCSNMQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081843
O1C(Cn2c(c(nc12)C=C)CC)COc1ccc(C(C)(C)C)cc1	PC-id_78098372	326.433	KBERIJFKCJOKEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081844
O1[C@@H](Cn2c(c(nc12)C=C)CC)COc1ccc(C(C)(C)C)cc1	PC-id_71525596	326.433	KBERIJFKCJOKEG-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081845
C1(CSCN1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	PC-id_61258772,MCULE-8985932853,EMOLS-id_328039164	326.434	XFZAZDYRNHWERB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081846
c1(NC(=S)NC(=O)C(C)C)sc2c(CCC2)c1C(=O)OC	CoCoCo_6184306,PC-id_1792459,EMOLS-id_3767618,MCULE-7024852606,TIMTEC78925,SPECS-id_AN-153/I209365,SPECS-id_AN-329/42613582,ZINC22_2137037,SPECS-id_AT-084/J171975	326.434	BLRFEZJVPPKLMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081847
c1(NC(=S)NC(=O)CC)sc2c(CCC2)c1C(=O)OCC	TIMTEC522060,ZINC22_227525,STOCK1S-79700,MCULE-3439385242,PC-id_760030,CoCoCo_879797,EMOLS-id_2190186	326.434	WFZITJYBKPIKIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081848
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCOCC1	EMOLS-id_30081120,TIMTEC21628,CoCoCo_6964799,SPECS-id_AO-476/43417033,ZINC22_13825939,MCULE-1218635689,PC-id_19653723	326.434	LFEFUAIZSBTJIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081849
O=C(CC1CS(=O)(=O)C=C1)NCCc1nc2CCCc2s1	MCULE-9078959711,EMOLS-id_55607576,PC-id_91761688	326.434	JDYTYQWFEOEXDQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-081850
O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1sc2c(n1)CCC2	PC-id_100010271	326.434	JDYTYQWFEOEXDQ-JTQLQIEISA-N	00000011100000000001000010000000000000000000000000000000	25-01-081851
O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1sc2c(n1)CCC2	PC-id_100010275	326.434	JDYTYQWFEOEXDQ-SNVBAGLBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-081852
O=C(Nc1sc2c(c1)CCC2)CSC1CNC(C1)C(=O)O	SCHEMBL3398519,PC-id_46893674	326.434	RYDDXGJXJJTKEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-081853
s1c2c(CCC2)cc1CNCc1oc(S(=O)(=O)NC)cc1	PC-id_65580248	326.434	DSCRZOBNUPPODJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-081854
s1c2c(CCC2)c(c1NC(=O)C1NCCSC1)C(=O)OC	PC-id_82896869	326.434	SYNZNDQDRRULCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081855
c12CN(Cc1n(nc2)CCO)C[C@H]1CCCN1Cc1ccccc1	ZINC22_244873447,EMOLS-id_55679759,MCULE-7449504536	326.436	WQOWBPHNZUSCIS-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081856
c12CN(Cc1nn(C(C)(C)C)c2C(=O)NCC)Cc1ccccc1	MCULE-5342381479,EMOLS-id_324355683	326.436	KSHXVSWBDCQGSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081857
C1CC(N(C1)Cc1ccccc1)CN1Cc2c(C1)n(nc2)CCO	PC-id_91839536	326.436	WQOWBPHNZUSCIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081858
c1(CN(C)CCC(=O)Nc2cc(C)ccc2C)c2CCCc2[nH]n1	EMOLS-id_55639930,ZINC22_252482280,PC-id_91833808,MCULE-7590350866	326.436	DCFUZURRFMHOIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081859
c1(CN(C)CCC(=O)NC(C)c2ccccc2)[nH]nc2CCCc12	PC-id_50951399,EMOLS-id_32374294,MCULE-1209352745	326.436	WZZLMQFSYSLFHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081860
c1(CNC(=O)c2ccc(cc2)N(CC)CC)c2CCCc2nn1C	EMOLS-id_53884595,PC-id_91819362,MCULE-1514136435,ZINC22_225817191	326.436	PSRSOFKJJLUJML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081861
c1(C(=O)Nc2ccc(cc2C)N(CC)CC)c2CCCc2n(C)n1	EMOLS-id_179745499,MCULE-9024831042,PC-id_110389145	326.436	OPLZVNWWTPCXMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081862
c1(C(=O)N(C)C)n(CC(C)C)nc2CN(Cc3ccccc3)Cc12	MCULE-5156656246,EMOLS-id_324351595	326.436	KOLPACAQAMKFNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081863
Cc1ccccc1C1(CCOCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_318692875,MCULE-7216565544	326.436	STUWBZUKIUPVKP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081864
Cc1ccc(cc1)C1OCCCC1CNC1CC(n2c1ncn2)C	MCULE-8179345709,EMOLS-id_318603010	326.436	WSMHBIVEOGXLHS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081865
Cc1ccc(cc1)C(N1CCOCC1)CNC1CCn2c1ncc2	EMOLS-id_318115741	326.436	DYFFHOOKMOOOFF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081866
Cc1ccc(cc1)C(NC1CCn2c1ncc2)CN1CCOCC1	EMOLS-id_318364979	326.436	ORKJXAQRILUABY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081867
Cc1ccc(c(c1)N1CCOCC1)CNC1CC(n2c1ncc2)C	MCULE-7745323962,EMOLS-id_318555818	326.436	IUWMXODQBYRNOM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081868
Cc1ccc(cc1NCc1cnc2n1CCC2)CN1CCOCC1	EMOLS-id_318249566	326.436	XFQJRMADPFIGNU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081869
Cc1ccc(cc1NC(c1nn2c(c1)CCC2)C)N1CCOCC1	EMOLS-id_318383303,MCULE-6234929008	326.436	ZVMSQTXHLXWTHP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081870
Cc1cccc(N(CC(C)(C)C)C(=O)c2c3c(nn2C)CCC3)n1	ZINC22_905879600,PC-id_136570538,EMOLS-id_316977652,MCULE-6586554582	326.436	RMWPTFFIZPCMLL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081871
Cc1cccnc1[C@H](NC(=O)c1c2c(nn1C)CCC2)C(C)(C)C	ZINC22_889885743	326.436	RUIORFFVMVINKY-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081872
Cc1cccnc1[C@@H](NC(=O)c1c2c(nn1C)CCC2)C(C)(C)C	ZINC22_889885744	326.436	RUIORFFVMVINKY-QGZVFWFLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081873
Cc1c(nccc1)C(C(C)(C)C)NC(=O)c1c2CCCc2nn1C	MCULE-5322043966,EMOLS-id_316979406,PC-id_136567582	326.436	RUIORFFVMVINKY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-081874
CC1(C)OCCC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_318031931,MCULE-8488862339	326.436	FPHQWURPXNOYTH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081875
CC1COCCN1c1ccc(cc1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318635573,MCULE-1621011041	326.436	ZAGHRJJEPQGAAO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081876
CC1OC(C)CN(C1)c1ccccc1NCc1cnc2n1CCC2	MCULE-4155226486,EMOLS-id_318175842	326.436	WPDZAAIPJSYAFD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081877
CC(c1cccc(c1)N1CCOCC1)NC1CC(n2c1ncc2)C	MCULE-4298038072,EMOLS-id_318371888	326.436	FPBJXACATKKUAW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081878
CC(c1ccccc1)NC(CNC(=O)c1cnn2c1CCC2)(C)C	MCULE-1680766103,EMOLS-id_316908127	326.436	CPPASRYKICYFFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081879
CC(c1nnc2n1CCC2)NC(=O)c1ccccc1CC(C)(C)C	MCULE-1164009179,EMOLS-id_316961937,PC-id_136562726	326.436	MRRODPGKPBDCBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081880
CC(Cc1ccc(cc1)CC(=O)NC(c1nnc2n1CCC2)C)C	PC-id_47019676,MCULE-6948041483,EMOLS-id_31380016	326.436	QUBBNVGMEQAQII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081881
CCCc1ccc(cc1)C(=O)N1Cc2c(CN(C)C)nn(C)c2C1	EMOLS-id_44369708,ZINC22_96259080,PC-id_97519170	326.436	ZIZQJWLYKXNCRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081882
CCC(c1ccccc1C(=O)NC(c1nnc2n1CCC2)C)(C)C	MCULE-7576645337,PC-id_136562727,EMOLS-id_316962193	326.436	RBCSTHHVEGRGQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081883
CC(C)Cc1ccc(CC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1	PC-id_94797364,ZINC22_58172844	326.436	QUBBNVGMEQAQII-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081884
CC(C)Cc1ccc(CC(=O)N[C@H](C)c2nnc3n2CCC3)cc1	ZINC22_58172847,PC-id_94797365	326.436	QUBBNVGMEQAQII-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081885
CCC(C)(C)c1ccccc1C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_930484754	326.436	RBCSTHHVEGRGQL-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081886
CCC(C)(C)c1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC22_930484755	326.436	RBCSTHHVEGRGQL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081887
CC(C(C)C)Nc1cccc(c1C)C(=O)N1Cc2c(C1)cnn2C	MCULE-1211464381,EMOLS-id_318135933	326.436	BBCYSJORVIFGRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081888
CC(CC(=O)NC(c1nnc2n1CCC2)C)CCc1ccccc1	EMOLS-id_36286478,MCULE-5988494938,PC-id_53582933	326.436	UNDIIDYBSKFUQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081889
CCCNC(=O)c1cccc(c1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_316901002,MCULE-9617165492	326.436	KHWXXMNOQDPLKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081890
CCCNC(=O)c1cccc(CN[C@@H](C)c2cc3n(n2)CCC3)c1	ZINC22_414069174	326.436	KHWXXMNOQDPLKX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081891
CCCNC(=O)c1cccc(CN[C@H](C)c2cc3n(n2)CCC3)c1	ZINC22_414069177	326.436	KHWXXMNOQDPLKX-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081892
C[C@H]1CC[C@@H](CC1)C(=O)N1Cc2c(Cn3cccc3)nn(C)c2C1	ZINC22_1565555228,EMOLS-id_313735895	326.436	BPSGWBUEPLNSJT-SHTZXODSSA-N	00000010110010000001000010000000000000000000000000000000	25-01-081893
C[C@@H]1O[C@H](C)CC(C1)Nc1ccc(cc1)Cc1nnc2n1CCC2	EMOLS-id_319965048	326.436	PKIHVSGUVLEANA-VMZNBEPHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081894
C[C@@H](CCc1ccccc1)CC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_95293008,ZINC22_69511950	326.436	UNDIIDYBSKFUQJ-GJZGRUSLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081895
C[C@H](CCc1ccccc1)CC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_95293010,ZINC22_69511963	326.436	UNDIIDYBSKFUQJ-HUUCEWRRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081896
C[C@@H](CCc1ccccc1)CC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_69511958,PC-id_95293009	326.436	UNDIIDYBSKFUQJ-LSDHHAIUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081897
C[C@@H](N=c1cc2n([nH]1)CCC2)C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC22_2325772425	326.436	RFYIVJHAWQEXLW-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081898
C[C@H](N=c1cc2n([nH]1)CCC2)C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC22_2325772426	326.436	RFYIVJHAWQEXLW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081899
C[C@H](NC(C)(C)CNC(=O)c1cnn2c1CCC2)c1ccccc1	ZINC22_294444661	326.436	CPPASRYKICYFFO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081900
C[C@@H](NC(C)(C)CNC(=O)c1cnn2c1CCC2)c1ccccc1	ZINC22_294444664	326.436	CPPASRYKICYFFO-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081901
C[C@@H](NC(=O)c1ccccc1CC(C)(C)C)c1nnc2n1CCC2	ZINC22_930484322	326.436	MRRODPGKPBDCBN-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081902
C[C@H](NC(=O)c1ccccc1CC(C)(C)C)c1nnc2n1CCC2	ZINC22_930484323	326.436	MRRODPGKPBDCBN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081903
C[C@H](NC(=O)C[C@H](C)CCc1ccccc1)c1nnc2n1CCC2	PC-id_94814492,ZINC22_58300763	326.436	UNDIIDYBSKFUQJ-CABCVRRESA-N	00000010100000110001000010000000000000000000000000000000	25-01-081904
C[C@H](NC(=O)CCN(C)Cc1n[nH]c2c1CCC2)c1ccccc1	PC-id_95191389,ZINC22_67513762	326.436	WZZLMQFSYSLFHZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081905
C[C@@H](NC(=O)CCN(C)Cc1n[nH]c2c1CCC2)c1ccccc1	PC-id_95191390,ZINC22_67513763	326.436	WZZLMQFSYSLFHZ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081906
CCN(Cc1ccc(C(=O)N[C@H]2CCn3cncc23)cc1)C(C)C	ZINC22_585122619	326.436	ICDWMFISSOLEDT-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081907
CCN(Cc1ccc(C(=O)N[C@@H]2CCn3cncc23)cc1)C(C)C	ZINC22_585122620	326.436	ICDWMFISSOLEDT-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081908
CCN(C(C)C)Cc1ccc(cc1)C(=O)NC1CCn2c1cnc2	MCULE-3748011630,EMOLS-id_177346194	326.436	ICDWMFISSOLEDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081909
COc1ccccc1C1(CCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_319482505	326.436	ZPVBHJKBQBGMJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081910
COc1ccccc1C(C1CCCC1)NCc1nnc2n1CCC2	MCULE-5094808523,EMOLS-id_48810499,PC-id_75471524	326.436	HVQCFFGVMXUTLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081911
COc1ccccc1[C@H](NCc1nnc2n1CCC2)C1CCCC1	PC-id_97110416,ZINC22_91282686	326.436	HVQCFFGVMXUTLL-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081912
COc1ccccc1[C@@H](NCc1nnc2n1CCC2)C1CCCC1	ZINC22_91282687,PC-id_97110417	326.436	HVQCFFGVMXUTLL-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-081913
COc1ccccc1N1CCC(CC1)NC1CC(n2c1ncc2)C	MCULE-7617771332,EMOLS-id_318365238	326.436	GYGMDMNLCOVMCP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081914
COc1cccc(c1)N1CCC(CC1)NC1CC(n2c1ncc2)C	MCULE-9837447787,EMOLS-id_318657944	326.436	HDQYNOQRZGKWIF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081915
O=C(c1cccc(c1C)NCC(C)(C)C)N1Cc2c(C1)cnn2C	EMOLS-id_318136189,MCULE-4507152164	326.436	PIZNKPLDRBSTFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081916
O=C(C(C)C)Nc1ccc(c(c1)NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318269305	326.436	PGQASUVKSMYLQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081917
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cn1cccc1	PC-id_92109898	326.436	QRWBXPLASMYJSZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-081918
O=C(Nc1nc(c2ccccc2)cs1)c1cc2c(s1)CCC2	CoCoCo_3242756,MCULE-1310786692,EMOLS-id_11909767,PC-id_17403663,ZINC22_9499244	326.436	FQSNEMZEKWKNRH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081919
O=C(NC(c1nnc2n1CCC2)C)Cc1ccc(cc1)C(C)(C)C	EMOLS-id_318704023	326.436	YPNUKONPHAEVHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081920
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)c1sccn1	PC-id_26173561	326.436	BEGFYJUKRRXUPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-081921
s1c2CCCc2c(c1NC(=O)C[n+]1c(ccc(c1)CC)C)C#N	PC-id_8861260	326.436	SFWNRTIUMPRNBN-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-081922
s1c2CCCc2c(c1NC(=O)C[n+]1ccc(CCC)cc1)C#N	PC-id_8877365	326.436	ONRAKSATHWWFNG-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-081923
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1ccccc1)C)C#N	PC-id_78289158	326.436	ZAGGUEODKQEPDN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-081924
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1ccccc1)C)C#N	PC-id_2684354	326.436	ZAGGUEODKQEPDN-GFCCVEGCSA-O	00000010100000110000000010000000000000000000000000000000	25-01-081925
s1c2CCCc2c(c1NC(=O)C[NH2+][C@H](c1ccccc1)C)C#N	PC-id_2684357	326.436	ZAGGUEODKQEPDN-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-081926
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccccc1)C)C#N	PC-id_8901423	326.436	JPJFDGYGWLYHRE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-081927
c12SCCn1cc(CNC(=O)C1CSC(C(=O)N1)(C)C)n2	MCULE-6446187341,PC-id_74247603,EMOLS-id_49674584	326.438	NPMJCERYBAOGNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081928
Cc1cnc(s1)C(NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100208857	326.438	IFWOVTWQSFCCGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081929
CC1(C)SC[C@H](C(=O)NCc2cn3c(n2)SCC3)NC1=O	PC-id_97938331,ZINC22_97756335	326.438	NPMJCERYBAOGNZ-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081930
CC1(C)SC[C@@H](C(=O)NCc2cn3c(n2)SCC3)NC1=O	ZINC22_97756334,PC-id_97938330	326.438	NPMJCERYBAOGNZ-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-081931
Cc1csc(n1)C(NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100178447	326.438	HAYIVKWDOVIXRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081932
Cc1nn(c(c1)S(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_318448723	326.438	OMTKIDGGMGWPRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081933
CC(c1nnc2n1CCC2)NS(=O)(=O)CCc1cccs1	EMOLS-id_101063992	326.438	JRGMASISMDFRIH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081934
CCn1cc(cc1CN)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053328	326.438	LTEBPQYVDLWGDZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-081935
CCNCc1[nH]cc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053380	326.438	ROMJDVSNVDBTRA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-081936
Cn1c(C)ncc1S(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318611467	326.438	GXPYGHNXQSCRRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081937
Cn1nc(c(c1C)S(=O)(=O)NCc1sc2c(c1)CCC2)N	PC-id_105358667	326.438	VZCPXVLUMTZHHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081938
CNCc1cc(cn1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053365	326.438	HXVJLTZPQJNBEB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-081939
CN(C)Cc1nn(C)c2c1CN(S(=O)(=O)c1cccs1)C2	ZINC22_96084458,PC-id_97405284	326.438	STDQDTAMOUMXSH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-081940
O=S(=O)(c1cnc2n1CCC2)Nc1ncc(s1)C(C)(C)C	EMOLS-id_97705253	326.438	HBIYKKCDSAJOEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081941
O=S(=O)(c1cnc2n1CCC2)Nc1scc(n1)C(C)(C)C	EMOLS-id_97704047	326.438	CWDGGJBKPPMAHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081942
s1c2c(CCC2)cc1CNS(=O)(=O)c1cn(nc1N)CC	PC-id_61208345	326.438	XHIXAFJUZVOPQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081943
OC(c1cccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_113859891	327.212	SHRGRXYWASUHBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082118
CC1CC(c2n1ncn2)NCc1ccc(nc1)N1CCCCCC1	EMOLS-id_318594932,MCULE-7280476954	326.439	CMYVYJCLOUAUDI-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-081944
CC1CCCCN1c1ncc(cc1C)NC1CC(n2c1ncn2)C	MCULE-4378374335,EMOLS-id_318499630	326.439	ROYFWIIUCAWGKX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081945
Cc1ccc(nn1)N1CCCC(C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318366025,MCULE-9826103271	326.439	BOZPIXWZUAUCGY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081946
CC1CCN(CC1)c1ccc(cn1)CNC1CC(n2c1ncn2)C	EMOLS-id_318657916,MCULE-5180622218	326.439	FMBRCRUHRKXBJY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-081947
Cc1nc(C)nc(c1)N1CCC(CC1)NC1CC(n2c1ncc2)C	MCULE-7813021527,EMOLS-id_317924312	326.439	BPPIJLCHXKAUFK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081948
Cc1nc(C)nc(c1)N1CCCC(C1)NC1CC(n2c1ncc2)C	MCULE-9156994779,EMOLS-id_318118033	326.439	ZKDPMPWBZHZHNK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081949
Cc1nc(C)nc(c1)N1CCCC(C1)NCc1cnc2n1CCC2	EMOLS-id_317997331,MCULE-2308947164	326.439	LRSAPUJQACVVRW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081950
Cc1nc(C)nc(c1)N1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318031264,MCULE-6114988495	326.439	GQZIIDJEZVXJTJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081951
CC(c1ccncc1)N1CCC(CC1)NC1CC(n2c1ncn2)C	MCULE-1901401300,EMOLS-id_318725459	326.439	NYTYKFLBNIOZIG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-081952
CCc1ncnc(c1)N1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318362166,MCULE-4793903616	326.439	ZLBVGRATMCPYTR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081953
CCc1ncnc(c1)N1CCCC(C1)NC1CC(n2c1ncc2)C	MCULE-9303773618,EMOLS-id_318117264	326.439	JYBUGJVOKQNARP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-081954
CC(C)n1cc(C2=CCCN(Cc3cnc4n3CCC4)CC2)nn1	MCULE-7861975171,EMOLS-id_316867326,PC-id_136553504,ZINC22_1616043615	326.439	LIAAOYMPHYVBPK-UHFFFAOYSA-N	00000010100000000111100010000000000000000000000000000000	25-01-081955
CCNC(=NCc1ccc(cc1C)C)NCc1nnc2n1CCC2	PC-id_111020111	326.439	HTRZJZDGNCGATN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081956
CCNC(=NCc1ccccc1CC)NCc1nnc2n1CCC2	PC-id_111636047	326.439	YZXKWMJJUHDMGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081957
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccccc1C)C	PC-id_111286839	326.439	VHEOJCQPDKMVJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081958
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)C)C	PC-id_111289169	326.439	GEPFQXWWLHHTFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081959
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)C	PC-id_111020411	326.439	ASSVKENEYCEJFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081960
CCNC(=NCc1nnc2n1CCC2)NCCCc1ccccc1	PC-id_111020245	326.439	BQYXGPNSMLEQQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081961
CN(C1CCN(C1)c1ccc(nc1)NC1CC(n2c1ncc2)C)C	MCULE-3926669705,EMOLS-id_318157142	326.439	VSLUZORQWRYWPY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-081962
CN=C(N(Cc1ccc(cc1)CC)C)NCc1nnc2n1CCC2	PC-id_111283169	326.439	YSKSUUUUDVWVMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081963
CN=C(NCc1nnc2n1CCC2)NCC(c1ccccc1)(C)C	PC-id_111020155	326.439	DSSVBHUUOXSGHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081964
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(cc1)C)C	PC-id_111621698	326.439	ANOJYYOYONLANZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081965
CN=C(NCc1nnc2n1CCC2)NCC(c1cccc(c1)C)C	PC-id_111659020	326.439	YMTMAICRLYYHEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081966
CN=C(NCc1nnc2n1CCC2)NCCc1cc(C)cc(c1)C	PC-id_111648786	326.439	VLJDXZWFVQIMPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081967
CN=C(NC(CCc1ccccc1)C)NCc1nnc2n1CCC2	PC-id_111171561	326.439	PNKLIQPUJQHOPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081968
C=C/C=CC1=C(C=C)c2n(C1CCC1(F)CCC(CC1)C)cnc2	SCHEMBL19699683	326.451	IHOCNEHADULTAE-SREVYHEPSA-N	00000011100010000001000010000000000000000000000000000000	25-01-081969
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)n1	MCULE-9824940909	326.456	ZUGQALYESOEMHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081970
Cc1ccc(cc1)CN1CCC(C1=O)NC1CCc2c1scc2	EMOLS-id_318543969,MCULE-8446498349	326.456	APTBWCYOYPYQHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081971
Cc1cccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1	ZINC22_33238751,EMOLS-id_45633392,MCULE-7090271248,PC-id_40408430	326.456	HZOCUZJMDQNGEL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081972
CC(C)(C)c1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_334661588	326.456	ZUGQALYESOEMHV-FMIVXFBMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-081973
NC[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)c1sc2c(c1)CCC2	MCULE-1458846379,PC-id_120744890,EMOLS-id_302459780	326.456	MISHIJHVXINKBK-CVEARBPZSA-N	00000010100000110000100010000000000000000000000000000000	25-01-081974
O=C(c1cc2c(s1)CCC2)N1CCCCC[C@H]1c1ccncc1	PC-id_97018422,ZINC22_84615084	326.456	XFHZZYHEQQIFSJ-INIZCTEOSA-N	00000010100000101100100010000000000000000000000000000000	25-01-081975
O=C(c1cc2c(s1)CCC2)N1CCCCC[C@@H]1c1ccncc1	PC-id_97018423,ZINC22_84615086	326.456	XFHZZYHEQQIFSJ-MRXNPFEDSA-N	00000010100000101100100010000000000000000000000000000000	25-01-081976
O=C(c1cc2c(s1)CCC2)N1CCN(Cc2ccccc2)CC1	EMOLS-id_53746582,MCULE-6848491658,ZINC22_20892950,PC-id_9041426	326.456	XLGIPXYMOQGLOO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-081977
O=C(c1ccccc1)N1CCCC(C1)NC1CCc2c1scc2	EMOLS-id_318723595,MCULE-4983984003	326.456	ZULJURXCXVSWPU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-081978
O=C(c1sc2c(c1)CCC2)N1CCCC(CC1)c1ccncc1	EMOLS-id_319245842	326.456	VJKLKUKJXBKDBG-UHFFFAOYSA-N	00000010100000101100100010000000000000000000000000000000	25-01-081979
O=C(c1sc2c(c1)CCC2)NCC1CCN(C1)c1ccccc1	EMOLS-id_33348561,MCULE-5323540186,PC-id_51114768	326.456	JQSFEHBZQUIIJA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-081980
O=C(N1CCCCCC1c1ccncc1)c1sc2c(c1)CCC2	MCULE-8824847406,PC-id_71894279,EMOLS-id_44532535	326.456	XFHZZYHEQQIFSJ-UHFFFAOYSA-N	00000010100000101100100010000000000000000000000000000000	25-01-081981
O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc2c(s1)CCC2	PC-id_35207854,ZINC22_27830206	326.456	JQSFEHBZQUIIJA-AWEZNQCLSA-N	00000010100000110000100010000000000000000000000000000000	25-01-081982
O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc2c(s1)CCC2	ZINC22_27830214,PC-id_35207860	326.456	JQSFEHBZQUIIJA-CQSZACIVSA-N	00000010100000110000100010000000000000000000000000000000	25-01-081983
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1c(cccc1)C	PC-id_9225006	326.456	HMTXEQSTPWCDQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-081984
s1c2c(CCC2)cc1C(=O)NC1CCN(C1)Cc1ccccc1	PC-id_51193684	326.456	HXPSYGRDQSBDLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-081985
s1c2CCCc2cc1C(=O)Nc1c(N2CCCCC2)cccc1	PC-id_31365543	326.456	BRHMPZAVIKKSIW-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-081986
CC1CC(C)CC(C1)S(=O)(=O)NC(c1nnc2n1CCC2)C	MCULE-7744737906,EMOLS-id_319850878	326.458	WEDSFTMCYGVFKQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081987
CC1CCCN(C1)CC(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100120044	326.458	PQNDVYOYUCOKBJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081988
CC1CCCN(C1)C(CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100184391	326.458	AZDHHZVBWSIXHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081989
CC1CCN(CC1)C(CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100188567	326.458	NCYSNDHAQCVZRT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081990
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1(C)CCCCC1	EMOLS-id_100178405	326.458	SSAOEZJCGIMWCH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081991
CC(c1nnc2n1CCC2)NS(=O)(=O)CCC1CCCCC1	EMOLS-id_101293260	326.458	KTGRFTLMDNFFCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081992
CCCN1CCC(CC1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100199259	326.458	OQRYABAFNODJFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081993
CC(N1CCC(CC1)N(S(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_100182240	326.458	CMOOVXMPLBSRML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081994
CN1CCCCC1CCN(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100235620	326.458	KPCYTARVYHCWOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081995
Cn1nc(c2c1CCC2)CN(S(=O)(=O)N(C)C)C1CCCC1	PC-id_92110015	326.458	WGFGRCUFFMXMQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081996
CN(CCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100214101	326.458	UAYFDKLUUMGQAG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-081997
CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_333136911,EMOLS-id_101949156,MCULE-7025387280	326.458	CMRDHAVLGUWXRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-081998
O=S(=O)(c1cnc2n1CCC2)NCCNC1CCCCCC1	EMOLS-id_303026803,MCULE-2360576436,PC-id_121702706	326.458	GXYRSGFHMSQTBI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-081999
OC(=O)N1Cc2c(C1(C)C)n(nc2N)COCC[Si](C)(C)C	PC-id_66738632,SCHEMBL596355	326.467	WWQLJTRRZJKQBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082000
C=C/C=CC1=C(C=C)c2n(C1C(C(C(C)C)O)CC(C)C)cnc2	SCHEMBL20646489,PC-id_137413015	326.476	ALDVOMJTAGOZHT-KTKRTIGZSA-N	00000011100000000001000010000000000000000000000000000000	25-01-082001
CCOC(=O)C1CCc2c1nc(s2)NC1CCCC1SC	PC-id_105865954	326.477	ADBQXNDIYNIJTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082002
CCOC(=O)C1CCc2c1nc(s2)NC1CCC(C1)SC	PC-id_105883818	326.477	UHVAEKAQKAIJHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082003
CCOC(=O)C1CCc2c1nc(s2)NCC1CCCCS1	PC-id_104289112	326.477	DVLPJTZTKLCHAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082004
CCOC(=O)C1CCc2c1nc(s2)NCC1(C)CCCS1	PC-id_104289124	326.477	RCPAJMJQAOKSLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082005
CCOC(=O)C1CCc2c1nc(s2)NCC1CCSCC1	PC-id_116211770	326.477	LFNSZSMJPHCTQT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082006
CCOC(=O)C1CCc2c1nc(s2)NCC1(SC)CCC1	PC-id_105830051	326.477	WNXUISGMOQJXAX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-082007
CSC1(CCCCC1)CNc1nc2c(s1)CCC2C(=O)O	PC-id_105830101	326.477	ODFXMIQSODIOST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082008
s1c2c(CCC2)c(c1NC(=S)NC(CC)CC)C(=O)OC	PC-id_17267708	326.477	CEHHDXPVMFWBHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082009
s1c2c(CCC2)c(c1NC(=S)NCCCCC)C(=O)OC	PC-id_19650740	326.477	WBHWPSKLMFYMJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082010
s1c2c(CCC2)c(c1NC(=S)NCCC(C)C)C(=O)OC	PC-id_19652204	326.477	YPWBAQRSHGJPGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082011
s1c2c(CCC2)c(c1NC(=S)NC(CCC)C)C(=O)OC	PC-id_19652359	326.477	HUVASRMNNFQGQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082012
s1c2c(CCC2)c(c1NC(=S)NC(CC)(C)C)C(=O)OC	PC-id_19652833	326.477	ISMQXIYZFUOKBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082013
s1c2c(CCC2)c(c1NC(=S)N(CC)CC)C(=O)OCC	PC-id_10520211	326.477	ACEIRCRWFPAFIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082014
s1c2c(CCC2)c(c1NC(=S)NCCCC)C(=O)OCC	PC-id_8729324	326.477	JELKMBKTLPZGTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082015
CC(Cc1ccc(cc1)CNC(c1nnc2n1CCC2)C(C)C)C	PC-id_75378821,EMOLS-id_48255839,MCULE-2977905054	326.479	CQIGLVDUXHVHNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082016
CC(C)Cc1ccc(CN[C@@H](c2nnc3n2CCC3)C(C)C)cc1	PC-id_97223053,ZINC22_95410404	326.479	CQIGLVDUXHVHNS-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082017
CC(C)Cc1ccc(CN[C@H](c2nnc3n2CCC3)C(C)C)cc1	ZINC22_95410405,PC-id_97223054	326.479	CQIGLVDUXHVHNS-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-082018
CC(n1nc2c(c1C)CCC2)CC1CC1c1cc(n(n1)C)C(C)C	SCHEMBL21082377,PC-id_138706128	326.479	FYFITAFYVYQJSS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-082019
O=C(CN(C1CSCC1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99825700	326.481	QQASVMDIROOWJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082020
s1c2CCCc2cc1C(=O)NNC(=S)NCCCN(C)C	PC-id_8472802	326.481	ZBVDUOJICPPCLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082021
CC1=C(c2c([CH]1)ccs2)[Si](C1=c2ccsc2=C[C]1C)(C)C	SCHEMBL13899967	326.551	AZXRLVODVFXAFC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-082022
CC1=C(c2c([CH]1)ccs2)[Si](C1=c2sccc2=C[C]1C)(C)C	SCHEMBL13899972	326.551	UEEJGGIVWCHZLX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-082023
S1Cc2c(nn(CCCCCO[Si](C(C)(C)C)(C)C)c2)C1	PC-id_10687609	326.573	IJUGXYUUVKDPRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082024
S1Cc2n(ncc2C1)CCCCCO[Si](C(C)(C)C)(C)C	PC-id_10544149	326.573	CWUVYZTYRVHFJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082025
Brc1ccc(cc1Cl)NCc1cnc2n1CCC2	MCULE-8299738357,EMOLS-id_317940887	326.619	FEUNXHXLCKFXKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082026
Clc1ccc(cc1Br)NCc1cnc2n1CCC2	MCULE-7014214889,EMOLS-id_317963850	326.619	YSCXWCCXALTOQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082027
Clc1ccc(c(c1)CNC1CCn2c1ncc2)Br	MCULE-5995222504,EMOLS-id_317920677	326.619	FKBXSRJMHSTHKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082028
Clc1cc(NCc2cnc3n2CCC3)cc(c1)Br	EMOLS-id_317936806,MCULE-3916905910	326.619	OBDPHEQCCAATOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082029
c1(C(F)F)c2CCCc2n(CC(=O)Nc2cccnc2Cl)n1	MCULE-3412012043,ZINC22_36614066,EMOLS-id_8867669,PC-id_19591082,TIMTEC606492	326.729	ZWKVCTIZCDRLLP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082030
c1(C(F)F)c2CCCc2n(CC(=O)Nc2ncc(cc2)Cl)n1	TIMTEC517143,PC-id_19591194,EMOLS-id_8867926,MCULE-5337711995,ZINC22_36614158	326.729	WAODUZGDWUNJNG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082031
CN(Cc1nnc2n1CCC2)C(=O)c1cc(F)c(F)cc1Cl	MCULE-9241759562,ZINC22_40523039,PC-id_45819263,EMOLS-id_31936712,CoCoCo_4880098	326.729	SOIOXOMVZGKLCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082032
CN(C(=O)c1ccc(c(c1F)F)Cl)Cc1nnc2n1CCC2	MCULE-1614976513,EMOLS-id_320290465	326.729	CDBBVEUUDVBMQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082033
O=C(NCCc1nnc2n1CCC2)c1cc(F)c(F)cc1Cl	MCULE-2436691780,EMOLS-id_35706164,PC-id_53519422,ZINC22_42502744	326.729	DJSMXROBSBPBKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082034
Clc1nc(cc(n1)c1ccccc1)Nc1n[nH]c2c1C(=O)NC2	SCHEMBL13383274,PC-id_59136168	326.74	LWOGYTPMYGOWLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082035
Clc1ccnc(c1)S(=O)(=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_318816680	326.759	VJFZETFYMYXGKU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082036
COc1cc(F)c(Cn2nc3CCC(C)c3c2CCl)c(F)c1	EMOLS-id_331008181,MCULE-2276502919	326.769	DGUOQYUOTSPEPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082037
COc1cc(F)c(Cn2nc(CCl)c3C(C)CCc23)c(F)c1	MCULE-4924740367,EMOLS-id_331024139	326.769	AYOMGLGUGIAWJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082038
Clc1cc(NCc2sc3c(c2)CCC3)c(cc1F)[N+](=O)[O-]	PC-id_105611557	326.774	FJJUPXMVXOOFAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082039
Clc1cc([N+](=O)[O-])c(NCc2sc3c(CCC3)c2)cc1F	PC-id_66077974	326.774	PUGHAPQNOAMQSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082040
COc1cc(F)c(c(c1)Cl)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319976641,MCULE-4191987787	326.774	FSNCDDQARCWUID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082041
O=C(COc1ccc(F)cc1Cl)Nc1nc2c(s1)CCC2	MCULE-6579629189,CoCoCo_4164290,EMOLS-id_11900288,ZINC22_9446276,PC-id_17400998	326.774	LSNOUYYCRJJUTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082042
OC(=O)C1CCc2c1nc(s2)NCc1ccc(c(c1)Cl)F	PC-id_104288582	326.774	GMIYOGUPNNZCNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082043
Clc1c2C(C(=O)N(c2sc1)C(=O)N)C(=O)c1sccc1	PC-id_16639237	326.779	VRSRMWWXNAKNQF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082044
Clc1sc2C(C(=O)N(c2c1)C(=O)N)C(=O)c1sccc1	PC-id_49875300	326.779	FOTAEPJXBGJDDJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082045
Clc1sc2N(C(=O)C(c2c1)C(=O)c1sccc1)C(=O)N	PC-id_16639235	326.779	ZWNZPTQLAMLKBZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082046
c1(C(=O)Nc2ccc(c(Cl)c2)n2cccc2)c2CCCc2[nH]n1	MCULE-2442988872,EMOLS-id_323259833	326.78	IYNDPIAMHFXZAW-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-082047
COc1ccc(cc1Cl)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318512774	326.799	KRYPRINMPLVQEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082048
Cc1cc(Cl)ccc1S(=O)(=O)NCc1nnc2n1CCC2	EMOLS-id_31949733,CoCoCo_4890764,MCULE-8716780445,ZINC22_40527130,PC-id_45821762	326.802	JVWRGDNAJNQOQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082049
ClC(c1sc2c(CCC2)c1)c1cc(OC)c(OC)cc1F	PC-id_62867468	326.813	TYYQTJARPOJMLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082050
OC(c1ccc(c(c1)F)Cl)CNCc1sc2c(n1)CCC2	PC-id_109948782	326.817	DOEHQRMSTOCIIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082051
OCC(c1ccc(c(c1)F)Cl)NCc1sc2c(n1)CCC2	PC-id_109948797	326.817	KXJSBMMWVALXEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082052
Clc1sc(C(=O)c2c3CCC(c3sc2C)C(=O)O)cc1	SCHEMBL10747725,PC-id_13787401	326.818	PDDLPRZYXHHPFL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082053
ClCCOCCN1C(=O)c2c(c(n(c2C)CCCC)C)C1=O	PC-id_10734945	326.818	XHHSHKDPQPUUIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082054
O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)s1	MCULE-5786057736,PC-id_7623929,ZINC22_5308857,EMOLS-id_43413382	326.818	UVIMNRABPJIMOV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082055
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C(=O)N	EMOLS-id_13329524,ZINC22_4070274,TIMTEC436234,ChEMBL-DNDi_CHEMBLF0173-0241,CoCoCo_1066784,PC-id_3661885,MCULE-7060920026	326.822	RUMOKXYHJBBBIB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082056
S=C(c1scc2c1OC(O2)(C)C)Cc1nccnc1Cl	SCHEMBL19124676	326.822	CXWZDHALKNUTGW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082057
O=CC1(CCCC(C1)Cl)Nc1sc2c(c1C(=O)N)CCC2	PC-id_143029417	326.842	WBOGUIFWTFGDHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082058
COCCn1ncc(c1C(c1sc2c(c1)CCC2)NN)Cl	PC-id_105342352	326.845	SEQABXDLAVZAPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082059
BrC1=CCc2c1[se]cc2Br	PC-id_57952940	326.875	PSMOLBQYGJWGEV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-082060
Clc1sc2c(C(NC3CCN(CC3)C(=O)C(C)C)CC2)c1	PC-id_81235603	326.885	IHWUFXQOADEBOO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082061
Clc1sc2c(C(NCC(N(C)C)c3sccc3)CC2)c1	PC-id_81252476	326.908	UPMRYQGQMODAAT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082062
C1=CSC2=C1C(=O)[C@H]([C@@H]2NC(=O)C(F)(F)F)Br	PC-id_153785727	326.918	ZQLYGYBYLWDINM-WHFBIAKZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082063
Clc1sc2c(C(NCC3(N(C)C)CC(CCC3)C)CC2)c1	PC-id_81246927	326.928	SNABFHBXMKFINN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082064
Clc1sc2c(C(NCCCN(C3CCCCC3)C)CC2)c1	PC-id_81246996	326.928	YZVXYBSIASZRHI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082065
Cc1nn2CCC(Br)c2c1I	EMOLS-id_324138040	326.96	ZVBPAKCDGUTKPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082066
Brc1sc(Br)c2c1[C@@H](N)[C@@H](O)C2=O	CoCoCo_5726172,PC-id_10359052	326.993	YOLIFSPBHKLMGH-NQXXGFSBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082067
Brc1sc(Br)c2c1[C@H](N)[C@H](O)C2=O	PC-id_5467969,CoCoCo_5726171	326.993	YOLIFSPBHKLMGH-UCORVYFPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082068
Brc1sc(Br)c2c1C(N)C(O)C2=O	PC-id_499145	326.993	YOLIFSPBHKLMGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082069
Brc1sc(c2c1C[N+](C2=O)([O-])C)Br	SCHEMBL17201479,PC-id_118468524	326.993	GBQJPBYKXTZNDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082070
Brc1sc(c2c1C(=O)[C@H]([C@@H]2N)O)Br	CoCoCo_5726173	326.993	YOLIFSPBHKLMGH-WUJLRWPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082071
Brc1sc(c2c1C(=O)[C@@H]([C@H]2N)O)Br	CoCoCo_5726174	326.993	YOLIFSPBHKLMGH-WVZVXSGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082072
C1CC2=NC=C(N2C1)S(=O)(=O)NC(=O)C3=C(C(=CC=C3)F)F	PC-id_154756128,EMOLS-id_257837429,MCULE-8159448172	327.049	SNWMSOQTJVEOCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082073
C/C(=C(/N)S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)CCO)/C=N	PC-id_164872104	327.1	UTLKRJACGRYZGJ-CITJOENHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082074
C1C2=C(CN1C(=O)N)NN=C2C(CC(=O)C3=CC=CC=C3)C(=O)N	PC-id_153863851	327.133	OKTBEBGUWOOVMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082075
O=C1NC(=O)C(C1)NC(=O)c1nn2c(c1Br)CCC2	MCULE-7421648340,EMOLS-id_320078401	327.134	APQWVUVEPDFQIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082076
CCC1CCN(CC1)S(=O)(=O)N2CC3=C(C2C(=O)N)C=NN3	PC-id_154773063,MCULE-9048657765,EMOLS-id_317383955	327.137	NMFRXPKSSABLMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082077
C1CC2=C(C1)SC(=N2)CN[C@@H]3CCC(=O)N[C@H]3C4=CC=CC=C4	PC-id_154805588	327.141	XNILWMTXAAJRQI-KDOFPFPSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082078
CCS(=O)(=O)N1CCn2ncc(I)c12	ZINC22_451097920	327.143	GIGAIKYJKFIVIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082079
CCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3C(=O)[O-]	PC-id_153795584	327.146	PSKCSVKNSIMNJL-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-082080
Fc1ccc(cc1)OCC1Cn2c(O1)nc(c2C)Br	PC-id_145568358	327.149	QQOVSQTZNPQCOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082081
COC1=CC=CC=C1C2(CCC2)CNC(=O)C3=NN4CCOC4=C3	PC-id_154746522	327.158	YRVLGXZDTANUJN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-082082
c1(NC(=O)COc2ccc(cc2Cl)Cl)onc2CCCc12	MCULE-9045838426,ZINC22_8976404,CoCoCo_5123840,PC-id_16942316,ChEMBL-DNDi_CHEMBL2093675,EMOLS-id_12044726	327.163	ZSYQEGKDEHWYCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082083
CC1CCc2c1c(Br)nn2Cc1cccc(F)c1F	EMOLS-id_330967034,MCULE-2191926850	327.167	SZSGDDPLAAQRNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082084
CC1CCc2c1c(Br)nn2Cc1ccc(F)cc1F	MCULE-6384479327,EMOLS-id_330965242	327.167	HINFNRVHOIYTOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082085
CC1CCc2c1c(Br)nn2Cc1ccc(F)c(F)c1	MCULE-4544776961,EMOLS-id_330969081	327.167	IEUBVOAVBOVTAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082086
CC1CCc2c1c(Br)nn2Cc1cc(F)ccc1F	EMOLS-id_330967546,MCULE-4172337804	327.167	MSHGCWGHCGLAQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082087
CC1CCc2c1c(Br)nn2Cc1cc(F)cc(F)c1	EMOLS-id_330965499,MCULE-2353890489	327.167	NVPNZFADVWDXRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082088
CC1CCc2c1c(Br)nn2Cc1c(F)cccc1F	MCULE-6979914395,EMOLS-id_330967290	327.167	JTAWXDCSGBVLGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082089
CC1CCc2nn(Cc3cccc(F)c3F)c(Br)c12	EMOLS-id_331014567,MCULE-1419740483	327.167	FBYXPWKASXSWMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082090
CC1CCc2nn(Cc3ccc(F)cc3F)c(Br)c12	EMOLS-id_331016870,MCULE-5051195442	327.167	KXBWTPBSPQOXKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082091
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(Br)c12	MCULE-6753078656,EMOLS-id_331016614	327.167	GFZYTZGYIHRMEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082092
CC1CCc2nn(Cc3cc(F)ccc3F)c(Br)c12	MCULE-6509359507,EMOLS-id_331015079	327.167	BCFNEALZDMFOSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082093
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(Br)c12	MCULE-9026796136,EMOLS-id_331017127	327.167	IQJAGKXBHNEUKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082094
CC1CCc2nn(Cc3c(F)cccc3F)c(Br)c12	MCULE-6931064458,EMOLS-id_331014823	327.167	LLCBCHCFOFQRID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082095
Clc1nnc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)Cl	PC-id_108096484	327.169	LNYIJFYMWVGMQD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082096
Clc1nnc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)Cl	PC-id_108096595	327.169	SHYZXROPOQIBJJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082097
CCNC(=O)N1CC2=C(C1)NN=C2C(C)(C3=CC=CC=C3)C(=O)N	PC-id_153863771	327.17	HMZGUPWYFAGZQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082098
CN1C(=C2CCCC2=N1)NC(=O)C3=NC=CC(=C3)N4CCOCC4	PC-id_154735827	327.17	WJHZMOAXJUZCGY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082099
Cc1cc(Br)oc1C(=O)Nc1nc2c(s1)CCC2	ZINC22_44359567	327.197	FAHXBCVOIFESCS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082100
Brc1snc(c1C(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_318772928	327.2	YFGMVXNXTQMSPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082101
COc1nc(ncc1Br)Nc1sc2c(n1)CCC2	PC-id_106998829	327.2	OFCQCEMERHBRJE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082102
O=C(c1c(Br)snc1C)NC1CCn2c1cnc2	EMOLS-id_319733851	327.2	MIBUGYVDADSSQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082103
O=C(c1c(Br)snc1C)NC1CCn2c1ncc2	EMOLS-id_319953482,MCULE-1600555185	327.2	IFBSZOXDFIPQNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082104
O=C(c1cn2c(n1)CCC2)NCc1sncc1Br	EMOLS-id_319880984	327.2	OFUQZEZHMJOHQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082105
O=C(C1NCc2c1c[nH]n2)NCc1ccc(s1)Br	EMOLS-id_319073485	327.2	VLVZVHMHCWVCTJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082106
O=C(c1nn2c(c1Br)CCC2)Nc1csnc1C	EMOLS-id_319833110	327.2	JZIKRZUSOYRNNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082107
O=C(c1nn2c(c1)CCC2)NCc1sncc1Br	EMOLS-id_319816058	327.2	XMUDPDPRSPONNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082108
O=C(c1nscc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319705622	327.2	UXINSOSSWCYPKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082109
O=C(c1sncc1Br)NCc1cnc2n1CCC2	MCULE-7174968516,EMOLS-id_320020273	327.2	YGNSOYXEFZVXLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082110
O=C(c1sncc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_318975455	327.2	KMKHPTIOYGNQQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082111
O=C(NCc1nccs1)c1c(Br)nc2n1CCC2	ZINC22_585086732,EMOLS-id_177269154,MCULE-7274080420	327.2	GGXVDXCLOBHXDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082112
O=C(NCc1nnc2n1CCC2)c1ccc(Br)s1	PC-id_45806073,CoCoCo_4651271,ZINC22_40489867,MCULE-9754090237,EMOLS-id_31878268	327.2	ZPBMYHONTBSMFI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082113
O=C(NCc1nnc2n1CCC2)c1csc(Br)c1	MCULE-8488203064,PC-id_31821468,CoCoCo_4758572,ZINC22_24444496,EMOLS-id_31886606	327.2	RUSDAUZAKUSYIX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082114
Clc1c(O)c(CNC(c2n3CCCc3nn2)C)cc(Cl)c1	PC-id_43748163	327.209	QEESFVRCAHSNCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082115
Brc1ccc(c(c1)C(c1sc2c(c1)CCC2)O)F	PC-id_113663815	327.212	QLGQMIIKJQTHAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082116
Brc1cc(C(O)c2sc3c(CCC3)c2)ccc1F	PC-id_79746868	327.212	NROLZMWWDOCVTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082117
Brc1cc(C(N)c2sc3CCCc3n2)ccc1F	PC-id_61332277	327.215	UJCVXOAUHNUUCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082119
Brc1cc(C(N)c2sc3CCCc3n2)c(F)cc1	PC-id_61332276	327.215	UIYUUVMJJCVEFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082120
Brc1cc(F)c(C(N)c2sc3CCCc3n2)cc1	PC-id_61332869	327.215	OVQKROQSQLUQLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082121
Brc1c(F)cc(C(N)c2sc3CCCc3n2)cc1	PC-id_81436687	327.215	ZIUYNNWXZCVBLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082122
Brc1cnc(c(c1)F)NCc1sc2c(c1)CCC2	PC-id_104924073	327.215	CNNBWYLPZDEYJP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082123
Brc1sc2c(c1)C(CC2)NCc1ncccc1F	EMOLS-id_318293150,MCULE-8728941594	327.215	DYYWKWADHFPJNO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082124
C1Cn2c(c[nH]c2=S)C1Cc1cc(cc(c1)Br)F	SCHEMBL20005821,PC-id_134377042	327.215	DYKRPHIPXHOXEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082125
Fc1ccc(c(c1)Br)C(c1sc2c(n1)CCC2)N	PC-id_114060873	327.215	XPRJIUJELMUWOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082126
Fc1ccc(c(c1)C(c1sc2c(n1)CCC2)N)Br	PC-id_108404314	327.215	VDNIOSPFSYODRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082127
Fc1ccc(nc1)CNC1CCc2c1cc(s2)Br	EMOLS-id_318075148,MCULE-5916828203	327.215	QTYIJWCBJQFMMP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082128
BrCCN1C(=O)c2c(c(n(c2C)CCCC)C)C1=O	PC-id_10687621	327.217	XGGVEPZWSFYWBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082129
Clc1c(C(=O)c2sc3CCCc3c2)cc(Cl)c(OC)c1	PC-id_81833613	327.226	FJARZNNYWMPXNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082130
c1(c2CCCc2sc1N)C(=O)Nc1ccc(c(Cl)c1)Cl	PC-id_17380380,EMOLS-id_4009139,TIMTEC170147,CoCoCo_6813291,MCULE-7983596677,ZINC22_17066924	327.229	GJPCEJVOQBDFKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082131
c1(NC(=O)Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)n1	MCULE-2465735847,EMOLS-id_334661584	327.229	IKRZDWAJLHJXSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082132
c1(NC(=O)Cc2cc(Cl)ccc2Cl)sc2c(CCC2)n1	MCULE-2735008535,EMOLS-id_334662864	327.229	KXELZOYVRGALMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082133
Clc1cc(C)c(c(n1)Cl)NC(=O)c1sc2c(c1)CCC2	PC-id_108190268	327.229	HZXOVWILSRNFEL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082134
Clc1ccc(CNC(=O)C2CCc3ncsc23)c(Cl)c1	SCHEMBL15903690,PC-id_78318417,BindingDB_PC-id_78318417,BindingDB-id_412898	327.229	QOYIRVIYNIXXIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082135
Clc1c(CC(=O)Nc2sc3CCCc3n2)ccc(Cl)c1	PC-id_26723072	327.229	DVJBYGSQLBYMQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082136
Clc1c(CC(=O)Nc2sc3CCCc3n2)c(Cl)ccc1	PC-id_30796767	327.229	LQNLSYFDPRYWGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082137
Clc1cc(C(=O)NCc2sc3CCCc3c2)cnc1Cl	PC-id_61215828	327.229	XPHISZNUQUGERH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082138
Clc1c(nc(Cl)cc1)C(=O)NCc1sc2CCCc2c1	PC-id_61215829	327.229	QVSJRRUJVPZZDB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082139
Clc1ncc(c(c1)C(=O)NCc1sc2c(c1)CCC2)Cl	PC-id_114918136	327.229	FVINNQMVFHEHGD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082140
Clc1nc(Cl)cc(C(=O)NCc2sc3CCCc3c2)c1	PC-id_61216001	327.229	ZZBFNRVJFOVIPF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082141
Clc1sc2CCC(Nc3cc(ccc3Cl)C(=O)N)c2c1	PC-id_81252579	327.229	RXNVYMQHLPRWBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082142
Clc1sc2CCC(Nc3cc(c(Cl)cc3)C(=O)N)c2c1	PC-id_81252582	327.229	BMTLYDWWCNGRPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082143
Clc1sc2CCC(Nc3cc(Cl)c(cc3)C(=O)N)c2c1	PC-id_81251727	327.229	XVBHTVVAIFYFIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082144
Clc1cccc(c1N/N=Cc1c(C)nc2n1CCS2)Cl	PC-id_97464831	327.232	AVRHWRRAEHDARS-APSNUPSMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082145
Clc1c(N/N=C/c2n3CCSc3nc2C)c(Cl)ccc1	PC-id_15163451	327.232	AVRHWRRAEHDARS-FRKPEAEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082146
Clc1c(NN=Cc2n3CCSc3nc2C)c(Cl)ccc1	PC-id_72746646	327.232	AVRHWRRAEHDARS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082147
ClC(=CC1Sc2n(N1)c(nn2)CC)c1ccc(Cl)cc1	PC-id_10711268	327.232	GEBOSSXXLLTXLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082148
Brc1cc2c(s1)CCC2NCc1c(C)noc1C	EMOLS-id_317958932,MCULE-6552063969	327.24	YOBUOWMIWSRXDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082149
BrCCCCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_103601662	327.24	IIMHYGJWUXNWOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082150
c1(NC(=O)C(C(C)C)Br)sc2c(CCC2)c1C#N	PC-id_43346542,MCULE-5396725387,EMOLS-id_315203349	327.24	JFBASCXRBDDBTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082151
CCc1noc(c1)CNC1CCc2c1cc(s2)Br	EMOLS-id_318013120,MCULE-6286707978	327.24	KQOHVEPUTAEZCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082152
CCn1ncc(c1C(c1sc2c(c1)CCC2)O)Br	PC-id_115834748	327.24	VWRGEYHHJKNORM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082153
Brc1ccc(s1)C(NCc1nnc2n1CCC2)C	EMOLS-id_318493803,MCULE-3645115270	327.243	WQQIXFSUQDCMSF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082154
Brc1ccc(s1)CNC(c1nnc2n1CCC2)C	PC-id_43433195,MCULE-6541500270,EMOLS-id_317969419	327.243	CPRYUZIVTUHOGE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082155
Brc1cc(n(n1)C)CNCc1sc2c(n1)CCC2	EMOLS-id_318753829,MCULE-8100350418	327.243	HPQLUOKNSLFFHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082156
Brc1cc(sc1)CNC(c1n2CCCc2nn1)C	EMOLS-id_317969675,PC-id_43433196,MCULE-2160442995	327.243	LOMCAEYXQUTMOM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082157
Brc1cc(sc1)CN[C@H](c1n2CCCc2nn1)C	PC-id_51683315	327.243	LOMCAEYXQUTMOM-QMMMGPOBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082158
Brc1cc(sc1)CN[C@@H](c1n2CCCc2nn1)C	PC-id_51683317	327.243	LOMCAEYXQUTMOM-MRVPVSSYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082159
Brc1cnc(s1)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318093360,MCULE-3515011494	327.243	VUEMDIHEZCSXTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082160
Brc1cnn(c1CNCc1sc2c(n1)CCC2)C	EMOLS-id_318343282,MCULE-8462232425	327.243	DEYLNGSIRFGGRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082161
Brc1csc(c1)C(NCc1nnc2n1CCC2)C	EMOLS-id_318585041,MCULE-3085228326	327.243	YEWPHFWQBYUVOZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082162
Brc1csc(n1)C(NC1CC(n2c1ncc2)C)C	EMOLS-id_318749471,MCULE-7830908646	327.243	NZPOBHWOBKPANP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082163
Brc1ncc(n1C)CNCc1sc2c(n1)CCC2	MCULE-2719524160,EMOLS-id_318562457	327.243	JLPKKERQTHECAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082164
Brc1sc2c(c1)C(CC2)NCc1nnc(n1C)C	MCULE-3036611653,EMOLS-id_317917371	327.243	LNIHKNXWTQDJEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082165
Brc1sc2c(c1)C(CC2)NCCc1ncnn1C	MCULE-1800451555,EMOLS-id_318661781	327.243	CWIJQZJPHGKTMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082166
Brc1scc(CNC(c2n3CCCc3nn2)C)c1	PC-id_43748181	327.243	XVWSTGSYGYRUPY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082167
Brc1scc(CN[C@H](c2n3CCCc3nn2)C)c1	PC-id_51886360	327.243	XVWSTGSYGYRUPY-QMMMGPOBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082168
Brc1scc(CN[C@@H](c2n3CCCc3nn2)C)c1	PC-id_51886363	327.243	XVWSTGSYGYRUPY-MRVPVSSYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082169
Brc1sc(CN[C@H](c2n3CCCc3nn2)C)cc1	PC-id_51683311	327.243	CPRYUZIVTUHOGE-QMMMGPOBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082170
Brc1sc(CN[C@@H](c2n3CCCc3nn2)C)cc1	PC-id_51683313	327.243	CPRYUZIVTUHOGE-MRVPVSSYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082171
CC1CC(c2n1ncn2)NCCc1ccc(s1)Br	MCULE-1638311969,EMOLS-id_318499329	327.243	SFNADBGUYQQKKI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082172
Cc1sc(c(c1)Br)CNCc1nnc2n1CCC2	MCULE-8635370932,EMOLS-id_318517071	327.243	LZYGYVWCAHIJEH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082173
Cc1sc(cc1Br)CNCc1nnc2n1CCC2	MCULE-9883683559,EMOLS-id_318451783	327.243	JCUBDIYINAMXRY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082174
CC(c1nnc2n1CCC2)NCc1ccsc1Br	EMOLS-id_317920676,MCULE-7689189449	327.243	RUCFIESMZRBROB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082175
CC(c1nnc2n1CCC2)NCc1cscc1Br	EMOLS-id_317953308,MCULE-7363447392	327.243	GDUFPPMPRNATSF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082176
CC(c1sccc1Br)NCc1nnc2n1CCC2	MCULE-2222932198,EMOLS-id_318474836	327.243	XBCKNBRVEDCNTL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082177
CCn1cc(nn1)CNC1CCc2c1cc(s2)Br	MCULE-1563520806,EMOLS-id_317939119	327.243	MLGBWXMMNFYHDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082178
CCn1cnnc1CNC1CCc2c1cc(s2)Br	EMOLS-id_317948193,MCULE-2757774351	327.243	PDUFMSAJAKIGJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082179
CCn1ncnc1CNC1CCc2c1cc(s2)Br	EMOLS-id_318762935,MCULE-8280135093	327.243	RWWWTMVETNRPJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082180
Cn1cnc(n1)CCNC1CCc2c1cc(s2)Br	EMOLS-id_317959188,MCULE-4003404441	327.243	PQRNHIXIQHQNLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082181
Cn1cnc(n1)C(NC1CCc2c1cc(s2)Br)C	EMOLS-id_317942677,MCULE-4215165718	327.243	IOHKQKPHWKCPHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082182
Cn1nc(c(c1)Br)CNCc1sc2c(n1)CCC2	EMOLS-id_318263163,MCULE-9693605000	327.243	KJASHECRSCLCLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082183
CNC(c1n(C)nnc1Br)c1sc2c(c1)CCC2	PC-id_106465182	327.243	MQSFYKLEKRKTID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082184
NNC(c1c(Br)cnn1C)c1sc2c(c1)CCC2	PC-id_105342153	327.243	OOAHAYRKTJPBLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082185
O=C(c1nn2c(c1)OCC2)Nc1cccc(c1)C(C(F)(F)F)O	EMOLS-id_318954047	327.259	KOZZWOKHDMENAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082186
OC(=O)C1CCc2n1c(=O)n(n2)Cc1cccc(c1)C(F)(F)F	SCHEMBL19609412	327.259	YJEPUUJILAMDEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082187
OC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1cccc(c1)C(F)(F)F	SCHEMBL19583632	327.259	YJEPUUJILAMDEZ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-082188
Brc1ccc(s1)CC(=O)c1sc2c(c1)CCC2	PC-id_114967423	327.26	VDZQVGPZLVBRAW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082189
Brc1cc(c(s1)C)C(=O)c1sc2c(c1)CCC2	PC-id_65640655,EMOLS-id_41384202	327.26	MWYMHGYZKNCCFN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082190
Brc1csc(c1)CC(=O)c1sc2c(c1)CCC2	PC-id_114969494	327.26	QCPWOWTUFCEDRA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082191
Brc1c(sc(c1)C)C(=O)c1sc2CCCc2c1	PC-id_65279490,EMOLS-id_41151575	327.26	PQZIHIZRQDIKPR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082192
Brc1sc(C(=O)c2sc3CCCc3c2)cc1C	EMOLS-id_315462205,PC-id_79996708	327.26	XTMSNFOBGZEBNI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082193
CC(C1CCCOC1)n1nc2CCC(C)c2c1CBr	MCULE-5091364383,EMOLS-id_331015603	327.26	XSDZJZZARRCWLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082194
CC(C1CCOCC1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015091,MCULE-6960877118	327.26	NTEUDOVEGYXEAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082195
O=C(c1sc2c(c1)CCC2)Cc1sccc1Br	PC-id_114969814	327.26	FWDMJXHLYSADCD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082196
O=C(c1sc(c(c1)Br)C)c1sc2c(c1)CCC2	PC-id_102826552	327.26	ZZQHBDMGIZGJQD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082197
FC(F)(F)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590553	327.262	OCWYLNWFXBXXIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082198
O=C(c1cc(c[nH]c1=O)C(F)(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_319925052,MCULE-4572483601	327.262	FRRYOCNMDJTROY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082199
O=C(C1NCc2c1c[nH]n2)Nc1ccc(nc1)OCC(F)(F)F	EMOLS-id_318850418	327.262	JNONWNSHQYOENW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082200
O=C(N1CCn2c1ncc2)Nc1cccn(c1=O)CC(F)(F)F	EMOLS-id_319297320	327.262	XZHRECJEYBHHPE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082201
O=C(N1CCn2c1ncc2)Nc1ccnc(c1)OCC(F)(F)F	EMOLS-id_318457053	327.262	KVGABEFERXZOQO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082202
CCNC(c1cc(Cl)ccc1Cl)c1sc2c(n1)CCC2	PC-id_108390085	327.272	IOEAKNABOFUIGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082203
Clc1cc(C(NCC)c2sc3CCCc3n2)ccc1Cl	PC-id_61332380	327.272	FKNOBLGSRSJKPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082204
Clc1cc(C(NCC)c2sc3CCCc3n2)cc(Cl)c1	PC-id_61332219	327.272	MSGLWSGDLLEIRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082205
Clc1c(C(NCC)c2sc3CCCc3n2)cccc1Cl	PC-id_61332011	327.272	NLAIISOKJUNCJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082206
Clc1c(C(NCC)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_61332030	327.272	FFGXAKOVJBROFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082207
Clc1c(C(NCC)c2sc3CCCc3n2)c(Cl)ccc1	PC-id_61332189	327.272	QUWIJZNQLSNKGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082208
Clc1sc2CCC(Nc3cc(Cl)c(N(C)C)cc3)c2c1	PC-id_81252797	327.272	NNPWDGCDDGPXKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082209
Clc1sc2CCC(Nc3c(N(C)C)ccc(Cl)c3)c2c1	PC-id_81252689	327.272	CLKQELYNERVMCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082210
Clc1sc2CCC(Nc3c(N(C)C)c(Cl)ccc3)c2c1	PC-id_81252585	327.272	ZEQWPIKCWGNLJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082211
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)Cl	PC-id_105295059	327.272	YIWSXEOROYEJKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082212
NNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Cl)Cl	PC-id_105296810	327.272	MRWZVZVXCBOCQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082213
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)Cl	PC-id_107312982	327.272	PIVMIFNVPAAPDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082214
NNC(c1sc2c(c1)CCC2)Cc1cc(Cl)ccc1Cl	PC-id_105309840	327.272	SVBVMBSSIGJOTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082215
NNC(c1sc2c(c1)CCC2)Cc1c(Cl)cccc1Cl	PC-id_105293121	327.272	YHRSEOUAYZLBHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082216
S(=O)(=O)(On1c(O)c2C(CCc2c1O)C=CC)C(F)(F)F	PC-id_53790706	327.277	FBQBMJWHBCSGBM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082217
Cc1ccc(O)c(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324907020	327.282	NUUKBZLZRAOZLQ-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082218
COc1ccccc1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324907015	327.282	AQOYWODFLZABJH-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082219
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324909573	327.282	QWTBCPVIJRLPKO-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082220
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324908039	327.282	LWMDMPQFCYMHMN-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082221
n12c(=O)c(=Cc3ccc(cc3)OC)sc1nc(C(F)(F)F)n2	MCULE-4270047318	327.282	QWTBCPVIJRLPKO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082222
n12c(=O)c(=Cc3ccccc3OC)sc1nc(C(F)(F)F)n2	MCULE-6279850957	327.282	AQOYWODFLZABJH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082223
n12c(=O)c(=Cc3cc(C)ccc3O)sc1nc(C(F)(F)F)n2	MCULE-6281639013	327.282	NUUKBZLZRAOZLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082224
n12c(=O)c(=Cc3cccc(OC)c3)sc1nc(C(F)(F)F)n2	MCULE-9166133987	327.282	LWMDMPQFCYMHMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082225
CC1=C(C(=Nc2c(cc(cc2)O)NC=O)n2c1nc(n2)C)C(=O)O	SCHEMBL14362306,PC-id_136607256	327.295	GGMYOQKZKJHQNL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-082226
C[C@](O)(c1ccc(OCc2nnc3n2CCC3)cc1)C(F)(F)F	ZINC22_1875281138	327.302	QVOPURVVYBMVEP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082227
C[C@@](O)(c1ccc(OCc2nnc3n2CCC3)cc1)C(F)(F)F	ZINC22_1875281139	327.302	QVOPURVVYBMVEP-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082228
FC(C(c1ccc(cc1)OCc1nnc2n1CCC2)(O)C)(F)F	PC-id_146103348,EMOLS-id_324015982,MCULE-3152166436	327.302	QVOPURVVYBMVEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082229
O=C(c1occ2c1CCC2)N1CCC(CC1)C1(N=N1)C(F)(F)F	EMOLS-id_320011482,MCULE-4765061303	327.302	YSINUVOHBBVQQO-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-082230
OCC(c1ccccc1OC(F)(F)F)NC1CCn2c1ncc2	EMOLS-id_318369848	327.302	LVJWHPBBTUZVDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082231
O=C(NC(c1ccco1)C)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_318564231	327.302	WHNLEOHLXIGSCO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082232
BrC(c1sc2c(CCC2)c1)c1c(sc(c1)C)C	PC-id_55198966	327.303	IXMAAJDZOOLHNC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082233
BrC(c1sc2c(CCC2)c1)c1sc(cc1)CC	PC-id_63439311	327.303	CRSCAPMJDZJPNA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082234
BrC(c1sc2c(CCC2)c1)c1sc(cc1C)C	PC-id_81158368	327.303	FZMBEKNAUMNFIK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082235
c1(C(=O)NCCn2c(C)cc(C(F)(F)F)n2)c2CCCc2[nH]n1	ZINC22_216451096,PC-id_77097283,MCULE-3165826940,EMOLS-id_49898959	327.305	LNMBDQXYJOBLNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082236
CC1CC(c2n1ncn2)NCc1cccc(n1)OCC(F)(F)F	EMOLS-id_319728537	327.305	WRVAXTCUNVBUSQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082237
CC1CC(c2n1ncn2)NCc1ccnc(c1)OCC(F)(F)F	EMOLS-id_319768477	327.305	KIAZXJKKCFMCRS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082238
CC1CC(c2n1ncn2)NCCOc1cccc(n1)C(F)(F)F	EMOLS-id_279084210	327.305	FCXBHKCRMGLJJH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082239
CCc1[nH]ncc1NC(=O)Cn1nc(c2c1CCC2)C(F)(F)F	MCULE-1249794885,EMOLS-id_319931688	327.305	GJZKHQULRVHFLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082240
CCn1nc(c(c1)C(=O)NCc1cnc2n1CCC2)C(F)(F)F	MCULE-1628073466,EMOLS-id_320012862	327.305	UXVGPVXFIXLRJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082241
CCn1nccc1NC(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_318753755	327.305	RMGCQHKXJDXTSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082242
CN(Cc1cc[nH]n1)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2	EMOLS-id_317031198,ZINC22_1772080699,MCULE-1185949438	327.305	ZKOGVIFOMCJDGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082243
CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1n[nH]c2c1CCC2	ZINC22_132605588,MCULE-4673884213,EMOLS-id_316920399,PC-id_136517055	327.305	PCHBMUPAPYYNLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082244
CN(Cc1nccn1CC(F)(F)F)C(=O)c1cnn2c1CCC2	MCULE-3040899724,EMOLS-id_316952588,PC-id_136554386,ZINC22_1616043732	327.305	FZVGLWNUKFBRTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082245
FC(c1nn(c2c1CCC2)Cc1onc(n1)C1CCCN1)(F)F	MCULE-4865309522,EMOLS-id_318454757	327.305	HDDKBPMALXIWAE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-082246
FC(c1nn(c2c1CCC2)Cc1onc(n1)[C@@H]1CCCN1)(F)F	MCULE-5048900158,EMOLS-id_318454501	327.305	HDDKBPMALXIWAE-VIFPVBQESA-N	00000010100000000001100010000000000000000000000000000000	25-01-082247
NC1(CCC1)c1noc(n1)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_318442400,MCULE-2679530659	327.305	CYBXQUKWWHFVGV-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-082248
O=C(c1cnc2n1CCC2)N1CCC(CC1)C1(N=N1)C(F)(F)F	EMOLS-id_319110721	327.305	BZUUJWMAOYOWEI-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-082249
O=C(c1cnn2c1CCC2)N1CCC(CC1)C1(N=N1)C(F)(F)F	EMOLS-id_318828512	327.305	KLHSYJOUIZAARR-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-082250
O=C(c1nn2c(c1)CCC2)N1CCC(CC1)C1(N=N1)C(F)(F)F	MCULE-2688060729,EMOLS-id_320293000	327.305	RMSCTYOBOOLSLG-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-082251
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)C1(N=N1)C(F)(F)F	EMOLS-id_318846664	327.305	NGPZTHNAZHQHLR-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-082252
O=C(Cn1cc(c(n1)C(F)(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_319530698	327.305	AKQIGWQTRNBLTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082253
O=C(Cn1cc(c(n1)C(F)(F)F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319119601	327.305	BAGCAWMLDFQYKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082254
O=C(Cn1nc(cc1C)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_320332078,MCULE-3814448258	327.305	IPZNABDUHYXHLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082255
O=C(NC1CC(n2c1ncc2)C)Cc1ccn(n1)CC(F)(F)F	EMOLS-id_316662468	327.305	PDUBRMQLIAEQQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082256
O=C(NCc1nnc2n1CCC2)c1cc(c2cccc(F)c2)no1	ZINC22_54151245,EMOLS-id_32043512,PC-id_51087692,MCULE-9613343394	327.313	LUVOHXAFPBIRKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082257
O=C(NN=Cc1c(OCC(=O)[O-])cccc1)c1n[nH]c2CCCc12	PC-id_2039527	327.315	UUGKXKRQRZBPSY-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-082258
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)Cn2nnnc2)cc1	PC-id_56748043	327.316	MIIBECNKFOLOKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082259
CC1CCc2c1c(CN)nn2Cc1cccc(c1F)C(F)(F)F	EMOLS-id_331011069,MCULE-4143220876	327.32	YKGOBSNODJKEIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082260
CC1CCc2c1c(CN)nn2Cc1cc(ccc1F)C(F)(F)F	EMOLS-id_331011837,MCULE-8221157630	327.32	QEGCNNMAZUYTGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082261
CC1CCc2c1c(CN)nn2Cc1ccc(cc1F)C(F)(F)F	MCULE-7352893642,EMOLS-id_331010812	327.32	YTGFAJFDUIEEOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082262
CC1CCc2c1c(CN)nn2Cc1ccc(c(F)c1)C(F)(F)F	EMOLS-id_331011068,MCULE-2630178616	327.32	PVIGWVVVNCHAFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082263
CC1CCc2c1c(CN)nn2Cc1ccc(F)cc1C(F)(F)F	EMOLS-id_331013372,MCULE-5422781680	327.32	FOJFQDLIPVLOKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082264
CC1CCc2c1c(CN)nn2Cc1ccc(F)c(c1)C(F)(F)F	MCULE-2502556032,EMOLS-id_331011325	327.32	IHOKVMAQAZWZBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082265
CC1CCc2c1c(CN)nn2Cc1cc(F)cc(c1)C(F)(F)F	EMOLS-id_331011581,MCULE-3842771944	327.32	PQKMLMWTIUUXFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082266
CC1CCc2c1c(CN)nn2Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_331013628,MCULE-9861028866	327.32	QMKOOBISHDYCDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082267
CC1CCc2c1c(CN)nn2Cc1c(F)cccc1C(F)(F)F	EMOLS-id_331013116,MCULE-5357543067	327.32	MEZMYIBJBBKBMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082268
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(CN)c12	EMOLS-id_330996662,MCULE-9377107588	327.32	XXKAHZYUWYLJBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082269
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(CN)c12	MCULE-1958431239,EMOLS-id_330997687	327.32	OMSPYVVUOBLVBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082270
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(CN)c12	MCULE-3822198446,EMOLS-id_330996919	327.32	WHYRKXMZCMDUAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082271
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(CN)c12	EMOLS-id_330996918,MCULE-1636243624	327.32	RIUDGDQWLHWGEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082272
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(CN)c12	EMOLS-id_330997175,MCULE-8244009233	327.32	KQRJSIHQOKTMLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082273
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(CN)c12	MCULE-1541254715,EMOLS-id_330995127	327.32	HOMIJLFWBFGQFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082274
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(CN)c12	EMOLS-id_330997431,MCULE-7179769288	327.32	BNFXGJQDDMIJGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082275
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(CN)c12	MCULE-9820154286,EMOLS-id_330995383	327.32	AKCILWSRCOANRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082276
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(CN)c12	EMOLS-id_330994871,MCULE-8721568135	327.32	IYPBTUKLFZWXPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082277
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331014060,MCULE-5512052906	327.32	WSAMKFABTALLBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082278
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1N	MCULE-3638467057,EMOLS-id_331013804	327.32	CWVVPIXCZUVPFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082279
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1N	MCULE-9840160025,EMOLS-id_331011498	327.32	FQCJTMAZPKAXRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082280
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331011242,MCULE-2845864467	327.32	LPKANVUXBKOVIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082281
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331010990,MCULE-2569974910	327.32	DQWGCJBKIIFRKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082282
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331013548,MCULE-6908447560	327.32	TZNRZUDYMYEKSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082283
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331010221,MCULE-4524897554	327.32	BRJIUDAQSVNHHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082284
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331011246,MCULE-7736014117	327.32	DYJFLWHMLYENPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082285
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1N	EMOLS-id_331010734,MCULE-6145748425	327.32	JBJDDIGLJSFXAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082286
O=C(Nc1cccc(OC(F)(F)F)c1)c1cc2c(s1)CCC2	MCULE-4744369732,CoCoCo_4672237,EMOLS-id_18886751,PC-id_25570569,ZINC22_12876515	327.321	LTQIFVGICJPFPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082287
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCC2	ZINC22_7842993,EMOLS-id_33331386,PC-id_8961406,MCULE-5070026153	327.321	DTZPNHHJHBFKKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082288
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc2c(s1)CCC2	MCULE-7754339470,ZINC22_24862739,EMOLS-id_35697662,PC-id_32180493	327.325	JZHWGVQJZNBDHC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082289
FC(F)(F)Oc1ccc(C[NH2+]C(c2n3CCCc3nn2)C)cc1	PC-id_75874340	327.325	MYFOJDUJVLBRQE-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-082290
FC(F)(F)Oc1ccc(C[NH2+][C@H](c2n3CCCc3nn2)C)cc1	PC-id_52583044	327.325	MYFOJDUJVLBRQE-JTQLQIEISA-O	00000010100000110001000010000000000000000000000000000000	25-01-082291
FC(F)(F)Oc1ccc(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc1	PC-id_52583046	327.325	MYFOJDUJVLBRQE-SNVBAGLBSA-O	00000010100000110001000010000000000000000000000000000000	25-01-082292
O=Nc1sc(c2c1N(C)CC2)Nc1ccccc1C(F)(F)F	PC-id_122233838	327.325	ZHZZBHGQRNIGIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082293
s1c2CCCc2nc1NC(=O)Nc1c(cccc1)C(F)(F)F	PC-id_45503683	327.325	DQZWEPJNCGJVJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082294
CC(C(=O)O)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL20931174,PC-id_138573061	327.331	PQYBUXZEHSMGPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082295
CCOC(=O)c1ccccc1C(=O)c1ccc2n1CCC2C(=O)O	PC-id_70505028,SCHEMBL11060502	327.331	LAKRVZOCTSWSSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082296
COc1cc(c(cc1OC)F)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316740101	327.331	GHBNGEQSVQOUHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082297
COC(=O)C1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)OC	PC-id_12915911,SCHEMBL9689944	327.331	YPTHSNLRONFAKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082298
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)C(=O)c1ccccc1)C	PC-id_10449105	327.331	BHMFMENSCBSQSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082299
O(C(=O)C1(C(Cn2c1ccc2C(=O)c1ccccc1)C)C)C(=O)O	PC-id_54307630	327.331	SIQHRMCDSQRGBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082300
CCN(c1[nH]nc2c1CCC2)C1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	SCHEMBL13145691,PC-id_58824951	327.333	BDQQEHGNXNJKDU-NJMOVEGISA-N	00000010100010000001000010000000000000000000000000000000	25-01-082301
O1C(N(c2n[nH]c3c2CCC3)CC)C(O)C(O)C(O)C1C(=O)O	PC-id_72436739	327.333	BDQQEHGNXNJKDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082302
O=C(c1sc2c(c1S(=O)(=O)N)OCO2)Oc1ccccc1	PC-id_70151534,SCHEMBL7642248	327.333	ZSXDAAPSHDKPLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082303
c1(C(=O)OC)c2CCCc2n(Cc2c(C)oc(c3ccco3)n2)n1	EMOLS-id_36571989,MCULE-8256005225,PC-id_56741634,ZINC22_67605882	327.335	UKBDFBVUHFLXPM-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-082304
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(=O)C)CC	EMOLS-id_17106562,MCULE-1926223937,STOCK6S-51205,PC-id_135635981	327.338	CCOHCPNMJWESGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082305
c1([nH]nc(c2ccc(C)o2)c1)C(=O)N1Cc2c(n(nc2)CCO)C1	PC-id_70784745,MCULE-1390424198,ZINC22_92061978,EMOLS-id_44747566	327.338	AXIWKCJLOOYRLF-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-082306
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C(=O)C)cc1)C(=O)N2	PC-id_135897682,ZINC22_13722126	327.338	CCOHCPNMJWESGO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082307
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C(=O)C)cc1)C(=O)N2	ZINC22_13722128,PC-id_135897683	327.338	CCOHCPNMJWESGO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082308
CC(=O)Nc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68440438,SCHEMBL2917806	327.338	XAPWXJNDDCDLFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082309
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1ccc(cc1)C(=O)C	PC-id_58441035,SCHEMBL12307457	327.338	VILNFYFJZJRSIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082310
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)C(=O)c1ccccn1	EMOLS-id_99538363	327.338	OPQPYAAENLNVKW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082311
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)C(=O)c1cccnc1	EMOLS-id_99554726	327.338	BBSAEXYBXDPZIU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082312
O=C(N1Cc2c([nH]nc2NC(=O)CCC(=O)c2ccccc2)C1)N	SCHEMBL2922276,PC-id_68441914	327.338	BOSBWRIAARSSJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082313
O=C(N1CCNC(=O)C1)c1cc2C[C@@H](Cn2n1)Oc1ccncc1	MCULE-6808109186,EMOLS-id_316256248	327.338	IFADWBBTLLKROC-ZDUSSCGKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082314
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCOC2=O)cc1	EMOLS-id_31938718,MCULE-2856854274,ZINC22_40523774,PC-id_45819635,CoCoCo_4882950	327.338	NDTXYQNGRVIISK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082315
CC1CC(c2n1ccn2)Nc1ccc(cc1)S(=O)(=O)C(F)F	MCULE-9610433624,EMOLS-id_318797074	327.35	NUGJHXYNXHCBHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082316
Cc1ccc(c(c1F)F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318963026	327.35	IJIJIPQQNHUMTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082317
Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3ccnc23)c(F)cc1F	ZINC22_333071902	327.35	KGRYFYUPRLMJKR-BXKDBHETSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082318
Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)n3ccnc23)c(F)cc1F	ZINC22_333071903	327.35	KGRYFYUPRLMJKR-CABZTGNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082319
Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)n3ccnc23)c(F)cc1F	ZINC22_333071904	327.35	KGRYFYUPRLMJKR-JOYOIKCWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082320
Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)n3ccnc23)c(F)cc1F	ZINC22_333071905	327.35	KGRYFYUPRLMJKR-SKDRFNHKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082321
Cn1nc2c(c1NS(=O)(=O)c1cccc(c1)C(F)F)CCC2	EMOLS-id_318665715	327.35	DOMXMVPGSMZFAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082322
Fc1cccc(c1CS(=O)(=O)NCc1n[nH]c2c1CCC2)F	MCULE-9926505590,EMOLS-id_320238437	327.35	MYSRAGNKWOPQKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082323
Fc1ccc(c(c1)F)CS(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-9263545023,EMOLS-id_319908388	327.35	JAQYYXDMXKBUPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082324
Fc1cc(C)c(cc1S(=O)(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_101318494	327.35	PAZURMYBAXAYPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082325
Fc1cc(C)c(cc1S(=O)(=O)Nc1n(C)nc2c1CCC2)F	EMOLS-id_318555176	327.35	OWMCYIFGRWSVBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082326
Fc1cc(C)c(cc1S(=O)(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_319153187	327.35	JEBONBJFSCZJMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082327
Fc1cc(F)c(cc1S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101318500,MCULE-9203253591	327.35	KGRYFYUPRLMJKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082328
Fc1cc(F)c(cc1S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_318605970	327.35	ZQEUJQYFKYIFSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082329
Fc1cc(F)c(cc1S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319365641	327.35	ZHQQSGIDXISBBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082330
FC(c1cccc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_318597791	327.35	URRQDRUIFGPYAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082331
FC(c1cccc(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_319160926	327.35	WPLFSERDLQNPKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082332
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COC)C(=O)OC	PC-id_2955547,EMOLS-id_1496375,BAS-07311441,ChEMBL-DNDi_CHEMBL7798685,MCULE-3063408948	327.353	KAKMGYJPYRTUEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082333
c1(NC(=O)COCC(=O)O)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6834712,MCULE-2487459847,TIMTEC482631,ZINC22_17066980,EMOLS-id_4009285,PC-id_17378800	327.353	UNYWHQNJNIPJEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082334
CO/C=C
/Cc2c(/C1=C/C(=C)OC)[nH]nc2Nc1cccc(c1)F	PC-id_145306248	327.353	PHTNCOBFMQELAU-MZRHHDOWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082335
COCC(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2	PC-id_7126733,CoCoCo_364285,ZINC22_4196705	327.353	KAKMGYJPYRTUEQ-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082336
COCC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](C(=O)OC)CC2	ZINC22_4196704,PC-id_7126734,CoCoCo_364286	327.353	KAKMGYJPYRTUEQ-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082337
CCOC(=O)N1Cc2c(C1C)c(c(s2)C(=O)OC)NC(=O)N	SCHEMBL623291,PC-id_66747838	327.356	RJQYMMUPSQNJNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082338
COC(=O)C1CS(=O)(=O)CCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111160680	327.356	HBQHFYUOKHCYIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082339
Fc1ccc(c2[nH]ncc2CN2Cc3n(ncc3C2)CCO)cc1	MCULE-6022128980,PC-id_77090330,EMOLS-id_49886929	327.356	WPFBSWRLZSIXEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082340
c1(NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCC2)c1C#N	TIMTEC90680,SPECS-id_AK-968/15254226,PC-id_704788,CoCoCo_1754783,MCULE-7507281245,EMOLS-id_4009311,ZINC22_89037	327.358	BYUAAKVGLLSREB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082341
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-8417536096,ZINC22_138123,STOCK2S-83702,EMOLS-id_4462743,CoCoCo_1944147,ChEMBL-DNDi_CHEMBL8008-9577,PC-id_728067	327.358	DIDRFXKEOXDRQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082342
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_4476266,PC-id_596414,ZINC22_2199518,STOCK3S-03718,MCULE-2804722539	327.358	UUKMHEOTQGGLHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082343
Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327878542,MCULE-2581495029,PC-id_924847	327.358	ZBASGOXCWXMDSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082344
Cc1c(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c(C#N)c2n1CCC2	PC-id_53549612,ZINC22_65593231	327.358	XDLUYYLPSQXQGJ-SNAWJCMRSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082345
N#Cc1c2CCCn2c(c1C(=O)C=Cc1csc(c1)[N+](=O)[O-])C	MCULE-8251424370,PC-id_72043601,EMOLS-id_300492211	327.358	XDLUYYLPSQXQGJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082346
N#Cc1c2CCCn2c(c1C(=O)/C=Cc1csc(c1)[N+](=O)[O-])C	PC-id_97870012	327.358	XDLUYYLPSQXQGJ-PLNGDYQASA-N	00000010100100000000000010000000000000000000000000000000	25-01-082347
O=C(/C=c
/nc(O)/c(=C/c2cc3n(n2)CCC3)/s1)c1ccco1	ZINC22_2325854755	327.358	SRPNTYRZRRDVAH-SFGFDRCGSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082348
[O-][N+](=O)c1ccccc1CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327878367,MCULE-4050125953	327.358	MLIDSBUOSVTNHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082349
[O-][N+](=O)c1cccc(CC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-8789277502,EMOLS-id_322818855	327.358	JOBVWYWDULRRLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082350
s1c2CCCc2c(c1N=Cc1cc([N+](=O)[O-])c(OC)cc1)C#N	PC-id_5057200	327.358	IGCRGVWCLXXFIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082351
s1c2CCCc2c(c1NC(=O)COC(=O)c1cccnc1)C#N	PC-id_9413486	327.358	LAWPUHUPFSCAIT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082352
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccncc1)C#N	PC-id_7783740	327.358	JMATVDQCQAVTIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082353
s1c2CCCc2c(c1NC(=O)COC(=O)c1ncccc1)C#N	PC-id_7776256	327.358	JQMGUNOKALZJPZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082354
Fc1cc(CNCCc2nnc3n2CCC3)ccc1n1cncn1	MCULE-6257226381,PC-id_53509781,EMOLS-id_35705614,ZINC22_65502716	327.359	UMHWGXFULLIBRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082355
OC(=S)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_23081082,SCHEMBL5538940	327.359	HYZFALPGABEKQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082356
c12SCCn1cc(CNC(=O)c1ccc(nc1)n1cnnc1)n2	MCULE-9091831371,PC-id_74238609,ZINC22_97547375,EMOLS-id_49656268	327.364	VWPWGPVXMCELPK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-082357
c1(NC(=O)c2ccc(cc2)n2cnnn2)n(C)nc2CSCc12	EMOLS-id_35783131,ZINC22_61717822,PC-id_52897878,STOCK7S-11884,MCULE-1304953206	327.364	FHFASPWRZLWRSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082358
c1(NC(=O)c2cccc(n2)n2cnnc2)n(C)nc2CSCc12	EMOLS-id_316204741,ZINC22_1529142728,PC-id_134702715,MCULE-2711388499	327.364	RUZUVSQDCNEMPQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-082359
COC1(CCC(CC1)C(F)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319989807,MCULE-9931598071	327.37	JKOYFLHYVQZPLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082360
FC(C(C1CCCCC1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319603892	327.373	CQFJCDQFYUBWQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082361
FC(CN1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_101577027	327.373	WKKTXWGMDIOQFQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-082362
CCCc1cc2n(c1C(=O)c1ccco1)CC=C2C(=O)OC(C)C	SCHEMBL11663413,PC-id_70629457	327.374	VQVFJKQQMWRQSA-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-082363
CCCc1cc2n(c1C(=O)c1ccoc1)CC=C2C(=O)OC(C)C	SCHEMBL11663099,PC-id_70629378	327.374	CALUFPDRIAJDCK-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-082364
CC(Oc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)O)C	SCHEMBL11599986,PC-id_20351651	327.374	QAOYMVABODZYPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082365
CCOc1ccc(cc1)C(=O)c1c(CC)cc2n1CCC2C(=O)O	PC-id_20351657,SCHEMBL11603919	327.374	AUPMQWIMOIVVET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082366
COc1ccccc1C1OCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_319209007	327.374	QRVXGQDMDHCDBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082367
COc1ccccc1C(=O)c1ccc2n1CCC2C(=O)OC(C)C	PC-id_20351632,SCHEMBL11602048	327.374	ACLPKRSIDHSWKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082368
COc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC(C)C	SCHEMBL11603269,PC-id_13486982	327.374	ZFLPTQZJNIFXAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082369
COCCCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	CHEMBL354613,PC-id_13780980	327.374	MHXMDBJJEBOIGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082370
OCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_142030757	327.374	HXWGPBBDMINJOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082371
O(C(=O)C1c2n(CC1)cc(c2C(=O)OC)CCc1ccccc1)C	PC-id_21785786	327.374	DPKZUOQTUKVAHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082372
Fc1ccc(c2oc(C[NH2+]C(c3n4CCCc4nn3)C)cc2)cc1	PC-id_75889717	327.376	RJLHNOMTRPYXFJ-UHFFFAOYSA-O	00000010101000110001100010000000000000000000000000000000	25-01-082373
Fc1ccc(c2oc(C[NH2+][C@H](c3n4CCCc4nn3)C)cc2)cc1	PC-id_52640819	327.376	RJLHNOMTRPYXFJ-LBPRGKRZSA-O	00000010101000110001100010000000000000000000000000000000	25-01-082374
Fc1ccc(c2oc(C[NH2+][C@@H](c3n4CCCc4nn3)C)cc2)cc1	PC-id_52640821	327.376	RJLHNOMTRPYXFJ-GFCCVEGCSA-O	00000010101000110001100010000000000000000000000000000000	25-01-082375
s1c2c(CCC2)cc1CNS(=O)(=O)c1oc(cc1)C(=O)O	PC-id_61208358	327.376	UODNMNTXHLHYKS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-082376
c12CN(Cc1nn(C(C)(C)C)c2C=O)C(=O)OCc1ccccc1	EMOLS-id_324347753,MCULE-7907481224	327.378	FZHIXSXTLZWGHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082377
c1(c2CCCc2[nH]n1)C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1	ZINC22_1529126048,MCULE-5224911529,PC-id_134701407,EMOLS-id_316157120	327.378	RJOMZDZFXOPABB-NVXWUHKLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082378
c1(CN(C)C(=O)c2ccc(o2)C#CC(C)(C)O)c2CCCc2[nH]n1	PC-id_91795243,ZINC22_223644303,EMOLS-id_55704298,MCULE-9017001106	327.378	JUUGFNXXNYIPPS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082379
c1(C(=O)Nc2ccc(cc2)CC(=O)OCC)c2CCCc2n(C)n1	EMOLS-id_320481295,MCULE-2213796784,PC-id_84466421	327.378	RSAUSEIXZBNMIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082380
c1(C(=O)Nc2ccc(cc2)CC(=O)OC(C)C)c2CCCc2[nH]n1	MCULE-7241963880,EMOLS-id_335092249	327.378	XARIDVKCPOYPEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082381
c1(C(=O)Nc2cccc(c2)C(=O)OC(C)C)c2CCCc2n(C)n1	MCULE-2792114404,PC-id_84466426,EMOLS-id_320482575	327.378	BTTUJGSPZIBTQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082382
c1(C(=O)Nc2cccc(c2)C(=O)OCCC)c2CCCc2n(C)n1	MCULE-5988625814,PC-id_84466428,EMOLS-id_320483087	327.378	IYRIPHFXMRAKGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082383
c1(C(=O)Nc2ccc(cc2)C(=O)OC(C)C)c2CCCc2n(C)n1	PC-id_84466423,EMOLS-id_320481807,MCULE-3502142900	327.378	CSMPXJJKHCRFJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082384
c1(C(=O)Nc2ccccc2C(=O)OCCCC)c2CCCc2[nH]n1	EMOLS-id_335097129,MCULE-2342007383	327.378	WPXOVZFTCJYPMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082385
c1(C(=O)Nc2cccc(c2)C(=O)OC(C)CC)c2CCCc2[nH]n1	EMOLS-id_335109651,MCULE-7081613743	327.378	OAFBXNWPZWAOPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082386
c1(C(=O)Nc2ccc(cc2)C(=O)OC(C)CC)c2CCCc2[nH]n1	EMOLS-id_335112740,MCULE-8959634083	327.378	CPPAQZKYOBQENS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082387
c1(C(=O)Nc2cccc(c2)C(=O)OCCCC)c2CCCc2[nH]n1	EMOLS-id_335132447,MCULE-4610010667	327.378	WLKVOXYMGWQGNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082388
c1(C(=O)Nc2ccc(cc2)C(=O)OCC(C)C)c2CCCc2[nH]n1	EMOLS-id_335149843,MCULE-4789467702	327.378	IZIJDINZBYUOES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082389
c1(C(=O)Nc2ccc(cc2)C(=O)OCCCC)c2CCCc2[nH]n1	MCULE-5457160599,EMOLS-id_335118615	327.378	MOWNPMQKWYVHFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082390
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC(=O)C	MCULE-6121854909,EMOLS-id_331020472	327.378	NQBUIUFMXVRWMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082391
c1(C(=O)N(Cc2ccccc2)CC(=O)OCC)c2CCCc2[nH]n1	EMOLS-id_334804017,MCULE-1192522551	327.378	TVXMRTHVFAMYGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082392
c1(C(=O)NCc2ccc(cc2)C(=O)OCC)c2CCCc2n(C)n1	MCULE-4419187422,PC-id_84466075,EMOLS-id_320479502	327.378	WLBSYWUUUKAYRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082393
c1(C(=O)NCc2ccc(cc2)C(=O)OCCC)c2CCCc2[nH]n1	EMOLS-id_335141647,MCULE-9134832177	327.378	AIHBNJFHAAFMET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082394
c1(C(=O)NCc2ccc(cc2)C(=O)OC(C)C)c2CCCc2[nH]n1	MCULE-1687433217,EMOLS-id_335127304	327.378	BSRRLOLJIUDXTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082395
CCCOc1c(cccc1OCC)C=C1C(=O)c2n(C1C)ncn2	EMOLS-id_278712878	327.378	UTTJQPPNEIRQKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082396
CCN(C(=O)c1cnc2n1CCC2)C(C(=O)O)Cc1ccccc1	EMOLS-id_317039406,MCULE-3163245924	327.378	WPOOXQUPMMONNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082397
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc2n1CCN2)C	SCHEMBL10997342,PC-id_20270361	327.378	GNEWVLJESWONME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082398
COc1cccc(c1)C1CC(CN1C(=O)c1cnc2n1CCC2)O	EMOLS-id_318317666	327.378	RQQIWOAAFZFKRK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082399
COc1ccccc1C1OCCN(C1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319954902,MCULE-1690555126	327.378	OZNIOAVNUUTEMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082400
COc1ccccc1C1OCCN(C1)C(=O)c1cnc2n1CCC2	EMOLS-id_319271579	327.378	GITNBUDIBPVTLO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082401
COc1ccc(cc1)C1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316621687	327.378	GNSPRPGSIBBESX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082402
COc1ccccc1C1OCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316648590	327.378	JUYXGXCRQXHKAW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082403
COc1ccc(cc1C)C1CCCN1C(=O)c1nn2c(c1)OCC2	EMOLS-id_316054231,MCULE-6516346015	327.378	CPEBLURGISBSAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082404
COc1cccc(c1)CNC(=O)c1oc2c(n1)CN(C2)CC1CC1	PC-id_97407306	327.378	KRWARDQHVMSUPH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082405
COc1cc(c(cc1)C(=O)NC1Cc2cncn2C1)OCC1CC1	EMOLS-id_316996102,MCULE-2136867985,PC-id_136554561	327.378	YWGLPYAWHCHRAS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082406
COc1cc(C=CC(=O)N2CCn3c2ncc3)ccc1OC(C)C	MCULE-1298453539,EMOLS-id_177338314	327.378	GHVQVJOJRKKJJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082407
COc1cc(/C=C/C(=O)N2CCn3ccnc23)ccc1OC(C)C	ZINC22_585122437	327.378	GHVQVJOJRKKJJV-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082408
COc1ccc(C(=O)N[C@@H]2Cc3cncn3C2)c(OCC2CC2)c1	ZINC22_1616043356	327.378	YWGLPYAWHCHRAS-CYBMUJFWSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082409
COc1ccc(C(=O)N[C@H]2Cc3cncn3C2)c(OCC2CC2)c1	ZINC22_1616043359	327.378	YWGLPYAWHCHRAS-ZDUSSCGKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082410
COC1(COC1)c1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_319924396,MCULE-8308362388	327.378	BUZLQMVRDOIVMP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-082411
COC1(COC1)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318908524	327.378	RUAYKZMFBVEIDB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-082412
COC1(COC1)c1ccc(cc1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_320289307,MCULE-3227663127	327.378	VLAJAXQBEYHETP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-082413
COC1(COC1)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318857526	327.378	VBLHDLVGWPXTSR-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-082414
COC(=O)C(C(c1ccccc1)NC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_49087001,MCULE-6512133125,PC-id_71980429	327.378	CCTOYLVKUGCLEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082415
COC(=O)[C@H](C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_97589654,ZINC22_96449232	327.378	CCTOYLVKUGCLEU-ABAIWWIYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082416
COC(=O)[C@@H](C)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_97589655,ZINC22_96449233	327.378	CCTOYLVKUGCLEU-XHDPSFHLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082417
COC(=O)[C@H](C)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_97589656,ZINC22_96449234	327.378	CCTOYLVKUGCLEU-IAQYHMDHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082418
COC(=O)[C@@H](C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_96449231,PC-id_97589653	327.378	CCTOYLVKUGCLEU-NHYWBVRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082419
O=C(c1ccc(cc1)OC1COCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318843494	327.378	QSMUADXHSUEIIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082420
O=C(C1CCOC(O1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320109656,MCULE-5546327461	327.378	SXOMRLGLUMHKHM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082421
O=C([C@@H]1OCCO[C@@H]1c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319672863	327.378	OXRQFTAIIIZXEF-IAGOWNOFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082422
O=C(N1CCn2c1ccn2)c1ccccc1COC1CCOCC1	EMOLS-id_318285733	327.378	UYLCKLVWCCHQFY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-082423
O=C(Nc1n(nc2c1CCC2)C)/C=C/c1cc(OC)c(OC)cc1	PC-id_45536832	327.378	MKSUZXMZDULJTR-CSKARUKUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082424
O=C(Nc1n(nc2c1CCC2)C)C=Cc1cc(OC)c(OC)cc1	PC-id_75120049	327.378	MKSUZXMZDULJTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082425
O=C(NCc1ccccc1)N1Cc2nc(COCC3CC3)oc2C1	EMOLS-id_44372058,ZINC22_96260251,PC-id_97520327	327.378	XFPPQYOLTWDYSU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082426
OC(=O)CCC(NC(=O)c1cnn2c1CCC2)Cc1ccccc1	MCULE-7877812839,PC-id_121900599	327.378	LQKOHIWVLGEUAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082427
CNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)o1	MCULE-1174337553,EMOLS-id_48772725,PC-id_37725935,ZINC22_30602074	327.379	GFRPOECNVJIVST-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082428
COC(=O)c1c(NS(=O)(=O)c2cccs2)nc2n1CCC2	PC-id_136573721,ZINC22_1615552074,MCULE-8773123888,EMOLS-id_317005870	327.379	RFPWNLHGUITZQF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082429
COC(=O)c1c(sc2c1CCC2)NS(=O)(=O)c1[nH]ncc1	PC-id_102691822	327.379	MUMJCPSHBIFJRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082430
O=C(c1nn2c(c1)OCC2)NCCS(=O)(=O)c1cccs1	MCULE-2709668282,EMOLS-id_316813543	327.379	HOXOXKYBRZBNJH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082431
O=C(c1oc2c(n1)CN(C2)S(=O)(=O)C)NCc1cccs1	PC-id_97410653	327.379	BXIPRJNOQRYGRK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082432
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)c1ccnn1C	PC-id_104709520	327.379	KIWUWAMSNQDQIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082433
O=S(=O)(N1CCn2c1ncc2)c1cccc(c1)S(=O)(=O)C	EMOLS-id_316743428	327.379	ZFIAKVMBEQEOBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082434
O=S(=O)(N1CCn2c1ncc2)c1ccc(cc1)S(=O)(=O)C	EMOLS-id_319203638	327.379	HJIPEZJWIUUXAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082435
s1c2c(CCC2)cc1CNS(=O)(=O)c1[nH]ncc1C(=O)O	PC-id_61207601	327.379	HCIFTRCOCHNCEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082436
s1c2c(CCC2)c(c1NS(=O)(=O)c1c([nH]nc1)C)C(=O)O	PC-id_60911471	327.379	CLCLPLDKHAKQDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082437
s1c2c(CCC2)c(c1NS(=O)(=O)c1c[nH]nc1)C(=O)OC	PC-id_60916356	327.379	NGHPUDSZSSERLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082438
s1c2c(CCC2)c(c1NS(=O)(=O)c1cn(nc1)C)C(=O)O	PC-id_43361570	327.379	OEHRCGHMCQKFFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082439
s1c2c(CCC2)c(c1NS(=O)(=O)c1ncn(c1)C)C(=O)O	PC-id_62374278	327.379	CDUDAQAOOQDQFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082440
s1c2c(CCC2)c(c1NS(=O)(=O)c1[nH]c(nc1)C)C(=O)O	PC-id_64147569	327.379	CHFBTHZOQWPALF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082441
s1c2c(CCC2)c(c1NS(=O)(=O)c1[nH]cnc1)C(=O)OC	PC-id_64156493	327.379	BZVAGISCSHRWLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082442
s1c2CCCc2nc1NS(=O)(=O)c1cn(c(c1)C(=O)O)C	PC-id_60732284	327.379	NBRVDTLQJMCKAN-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-082443
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cccn1C	EMOLS-id_207863016,MCULE-9754745619	327.381	NXBRDBMYQMFDGH-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-082444
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(C)C)CC	STOCK6S-69415,PC-id_135629428,EMOLS-id_24578467,MCULE-2449039929	327.381	YZEOTXNNQGWMHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082445
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)C(=O)c1nccn1C	PC-id_70722233,EMOLS-id_43565171,MCULE-6224499905	327.381	XUIXDOONISFUGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082446
c1(C(=O)N2CCC(CC2)c2cc(O)nc(C)n2)c2CCCc2[nH]n1	ZINC22_216508239,EMOLS-id_49900161,PC-id_136288876,MCULE-4838451955	327.381	QAYTUCNMSYYIAH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082447
c1(C(=O)NCc2ccnc(C3CCCOC3)n2)c2CCCc2[nH]n1	BDE-33354265,MCULE-1657736184,PC-id_110119345,EMOLS-id_43268533	327.381	OOFZWEPSNZUDKF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082448
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccc(nc2)C)n1	MCULE-6870861314	327.381	AGVCTTHUYWGGIR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082449
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2cccnc2C)n1	MCULE-6986519586	327.381	JMRDMQIJMFSFGH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082450
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccnc(C)c2)n1	MCULE-9958298503	327.381	UHZMETPDCDSRQI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082451
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccc(nc2)C)n1	EMOLS-id_316329279,MCULE-3617302989	327.381	AGVCTTHUYWGGIR-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082452
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2cccnc2C)n1	MCULE-4019425571,EMOLS-id_316330800	327.381	JMRDMQIJMFSFGH-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082453
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccnc(C)c2)n1	EMOLS-id_316329785,MCULE-4329443385	327.381	UHZMETPDCDSRQI-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082454
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)Cc3cccnc3)C2)n1	EMOLS-id_316331312,MCULE-6095682519	327.381	ZTUFWTHZDZUGQE-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082455
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)Cc3cccnc3)C2)n1	MCULE-7685723451	327.381	ZTUFWTHZDZUGQE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082456
Cc1cccc(COCc2n[nH]c3c2CN(C(=O)NC2CC2)C3)n1	ZINC22_96260241,PC-id_97520318,EMOLS-id_44372032	327.381	KIZBGZFJRTYZHO-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-082457
Cc1cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)nc(C)n1	ZINC22_257337291	327.381	YSERGEYJZMFQLK-HNNXBMFYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082458
Cc1cc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)nc(C)n1	ZINC22_257337292	327.381	YSERGEYJZMFQLK-OAHLLOKOSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082459
Cc1ccc(NC(=O)CC(=O)NCc2nnc3CCCn23)c(C)c1	PC-id_50974577,ZINC22_55341514,MCULE-5990677029,EMOLS-id_32227956	327.381	QOVQZTGCCGMVEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082460
Cc1cc(nc(C)n1)C1CN(CCO1)C(=O)c1n[nH]c2CCCc12	BDE-33349015,MCULE-4446716574,EMOLS-id_43267785,PC-id_110118992	327.381	YSERGEYJZMFQLK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082461
CC(c1ccc(cc1)N1CCOC1=O)NC1CC(n2c1ncn2)C	EMOLS-id_318622761,MCULE-9965280239	327.381	OAXGDGZJFNHQAA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082462
CCc1cccc(c1NC(=O)N1Cc2c(C1)c(n[nH]2)C(=O)N)CC	PC-id_69163210,SCHEMBL4726426	327.381	ATSDEMQJCQMOSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082463
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)N2	PC-id_135902206,ZINC22_20726411	327.381	YZEOTXNNQGWMHF-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082464
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)N2	PC-id_135902207,ZINC22_20726415	327.381	YZEOTXNNQGWMHF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082465
CC(=C)COc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319222690	327.381	SJWQMDJHZDAQQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082466
CC(C)NC(=O)C1CCc2nnc(n12)CNC(=O)c1ccccc1	PC-id_134790101	327.381	SPIRPYZKBXUMPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082467
CC(CNC(=O)c1ccc(cc1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319922822,MCULE-7777029532	327.381	PVSSENKETKAHJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082468
CC(C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NCc1ccccc1)C	PC-id_68440654,SCHEMBL2918553	327.381	TXOYTAYHYPCYOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082469
CC(NC(=O)c1cc(ccc1C)NC(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_318953301	327.381	WNYBPPZGBMHXAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082470
CC(NC(=O)c1cc(ccc1C)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319001987	327.381	OYABXVWROSOVJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082471
CCNC(=O)N1Cc2c(C1)c(n[nH]2)N(c1ccccc1)C(=O)CC	PC-id_68442468,SCHEMBL2923596	327.381	VLRKPPKMDPHJAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082472
CCN(C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1)CC	PC-id_141417099	327.381	IMYLLBCKIKZTKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082473
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1cccc(c1)C	PC-id_68440750,SCHEMBL2918880	327.381	SGJIBFRLYYEPGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082474
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccccc1C	PC-id_68441379,SCHEMBL2920693	327.381	KZLQZMFKLANQPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082475
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)C	SCHEMBL2918029,PC-id_68440500	327.381	CKQOHMUUQQRNCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082476
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)C(c1ccccc1)C	SCHEMBL2915401,PC-id_68439598	327.381	URJKHOZILWQVOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082477
CC(NC(=O)Nc1cccc(c1)C(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_318349423	327.381	UPCHWDRHFUCMMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082478
CC(=O)NCc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1	EMOLS-id_35706550,ZINC22_65591363,MCULE-2449032371,PC-id_53517725	327.381	AZKJVHABKRMWSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082479
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCCc1ccccc1	PC-id_134799710	327.381	UZOMPBRYRAUUFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082480
Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_96374433,ZINC22_77342086	327.381	XUIXDOONISFUGW-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-082481
Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_77342083,PC-id_96374431	327.381	XUIXDOONISFUGW-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082482
CN(Cc1ccc(cc1NC(=O)c1cnc2n1CCC2)C(=O)N)C	EMOLS-id_317985859	327.381	ODCNKMANZUPUPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082483
COc1cc(ccc1N1CCCC1=O)NC1CC(n2c1ncn2)C	MCULE-1015282558,EMOLS-id_318723457	327.381	OITRQKLKGCXSKG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082484
COc1ccccc1N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_320002517,MCULE-3537335739	327.381	QMRATTRFIZKQSH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082485
COc1cccc(C2(NC(=O)NCc3nnc4n3CCC4)CC2)c1	PC-id_84586940,EMOLS-id_49107428,ZINC22_95412148,MCULE-3022223916	327.381	UYKZBUQWFHXXRN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-082486
COc1ccc(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)nc1	PC-id_136547044,ZINC22_569081827,MCULE-7425875935,EMOLS-id_316892529	327.381	SJDYWYWCFIEQTF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082487
COc1ccnc(c1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98632794	327.381	GMRVZCWHDRMADG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082488
COc1ncccc1CN1Cc2c(C1)[nH]nc2C(=O)N1CCCC1	PC-id_97461978	327.381	LJFALFNUFNIDLN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082489
n12CCCc1nnc2CNC(=O)c1ccccc1N1CCOCC1	ZINC22_357501792,EMOLS-id_232884167,MCULE-9651478417	327.381	QCRPZZOZXIHZRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082490
n12nc(nc1sc(=Cc1ccco1)c2=O)C=Cc1cccs1	MCULE-3938184128	327.381	XQHLETYJGPFRHL-UHFFFAOYSA-N	00000000101100000001000010000000000000000000000000000000	25-01-082491
n1c(CNc2ccc(cn2)C(=O)N2CCOCC2)c2c(CCC2)[nH]1	PC-id_134712482,MCULE-7452396836,EMOLS-id_316253187,ZINC22_1529189148	327.381	ILUDFTRUORXVBG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082492
O=c1/c(=C/c2ccco2)/sc2n1nc(n2)/C=C/c1cccs1	STOCK4S-49800,ZINC22_5180621,EMOLS-id_26342575	327.381	XQHLETYJGPFRHL-FPONQXLSSA-N	00000000101100000001000010000000000000000000000000000000	25-01-082493
O=c1/c(=Cc2ccco2)/sc2nc(/C=C/c3cccs3)nn12	ZINC22_6883765	327.381	XQHLETYJGPFRHL-HFACTSAFSA-N	00000000101100000001000010000000000000000000000000000000	25-01-082494
OC1CCN(CC1)c1ncccc1NC(=O)c1cnn2c1CCC2	EMOLS-id_316563632	327.381	WAZBVMPRQSTTCN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082495
Oc1ccnc(n1)[C@@H]1CC[C@H](CC1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319656758	327.381	VZISPNUJXXJPRT-HAQNSBGRSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082496
Oc1ccnc(n1)[C@@H]1CC[C@H](CC1)NC(=O)c1nn2c(c1)CCC2	MCULE-5701585943,EMOLS-id_319872239	327.381	WMRWXODMIYHFLA-HAQNSBGRSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082497
O=C(c1ccc(nc1)N1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319352918	327.381	BDRBHBXMGXYELB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082498
O=C(c1cccnc1N1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319514126	327.381	OOPWQNIBHTVZHG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082499
O=C(c1cncc(c1)N1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318859875	327.381	LMKLZPYXGVLIRU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082500
O=C(c1nccc(c1)N1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319206521	327.381	HRPVMSQHGXRBRE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082501
O=C(c1n[nH]c2c1CCC2)N1CCOCC(C1)Cc1ccncn1	BDE-33348844,EMOLS-id_48378394,PC-id_110118912,MCULE-2299047856	327.381	DFYZAOAEJQWJEL-UHFFFAOYSA-N	00000010100000100101000010000000000000000000000000000000	25-01-082502
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H](Cc2ccncn2)C1	ZINC22_257219195	327.381	DFYZAOAEJQWJEL-GFCCVEGCSA-N	00000010100000100101000010000000000000000000000000000000	25-01-082503
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H](Cc2ccncn2)C1	ZINC22_257219196	327.381	DFYZAOAEJQWJEL-LBPRGKRZSA-N	00000010100000100101000010000000000000000000000000000000	25-01-082504
O=C(C(C)C)Nc1nccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318987601	327.381	XHBHEFYHZUVQDP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082505
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)C1CCOC1	EMOLS-id_319386462	327.381	AQQFPOQWTNSTSK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082506
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)OCC1CC1	EMOLS-id_319326818	327.381	PXRYWSMLBDWMML-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082507
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1OCC1CC1	EMOLS-id_319784097	327.381	YMVOOHDRHKKHEF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082508
O=C(NCc1ccnc([C@@H]2CCCOC2)n1)c1n[nH]c2c1CCC2	ZINC22_257281232	327.381	OOFZWEPSNZUDKF-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082509
O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1n[nH]c2c1CCC2	ZINC22_257281233	327.381	OOFZWEPSNZUDKF-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-082510
O=C(NC(c1nnc2n1CCC2)C)NCc1cccc(c1)C(=O)C	EMOLS-id_279066009	327.381	SLFAGVCQQRQFDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082511
O=C(NCCc1n2CCCc2nn1)c1ccc(cc1)CNC(=O)C	PC-id_60445729	327.381	LKQGUYCRFAQRMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082512
O=C(NCCc1nnc2n1CCC2)c1ccc(OCC2CC2)nc1	ZINC22_66627015,PC-id_71879818,MCULE-4743572747,EMOLS-id_45757498	327.381	IVVKOIWHYSORCC-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-082513
O=C(N(C)C)Nc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319228790	327.381	CZQFBTJVHPTEED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082514
s1c2CCCc2c(c1NC(=O)C[n+]1cc(ccc1)C(=O)N)C#N	PC-id_8831690	327.381	LBQNYJMSCBPXJP-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-082515
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)Cc1cccs1	PC-id_68439993,SCHEMBL2916576	327.383	DRYDENUNROWGJG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082516
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)Cc1cscc1	PC-id_68440527,SCHEMBL2918128	327.383	HJJJOXVQJIHFIK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082517
Cc1nnc2CC(CNc3cncc(n3)C(=O)N3CCCC3)Cn12	EMOLS-id_317508986,PC-id_137343023,MCULE-9062902276	327.384	GWLYGZQERKUECM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082518
Cc1nnc2n1C[C@@H](CNc1cncc(C(=O)N3CCCC3)n1)C2	ZINC22_1772700946	327.384	GWLYGZQERKUECM-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082519
Cc1nnc2n1C[C@H](CNc1cncc(C(=O)N3CCCC3)n1)C2	ZINC22_1772700948	327.384	GWLYGZQERKUECM-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082520
CN1CCN(CC1)c1ccc(cn1)NC(=O)C1NCc2c1c[nH]n2	MCULE-4022692364,EMOLS-id_320201692	327.384	WHOXHRICGWTTGT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082521
n12ncnc1sc(=CNc1scc(c3ccccc3)n1)c2=O	MCULE-3653200368	327.384	JHVLZVVVYJGHCH-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-082522
O=c1/c(=C/Nc2nc(c3ccccc3)cs2)/sc2ncnn12	ZINC22_256055508,PC-id_117588318	327.384	JHVLZVVVYJGHCH-WDZFZDKYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-082523
O=C(C1CCCN(C1)c1ncccn1)NCc1nnc2n1CCC2	MCULE-5076471444,EMOLS-id_31391940,PC-id_47023952	327.384	RGFOCMWKVNYROD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082524
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)CCc1cnccn1	EMOLS-id_318852007	327.384	VTRWECUBVHOJAD-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-082525
O=C(Nc1ccc(nc1)N1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_257837199,PC-id_53499856,MCULE-3900557255	327.384	AUXSSHIGUJQIIS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-082526
O=C(NCc1nnc2n1CCC2)[C@@H]1CCCN(c2ncccn2)C1	ZINC22_24444459	327.384	RGFOCMWKVNYROD-GFCCVEGCSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082527
O=C(NCc1nnc2n1CCC2)[C@H]1CCCN(c2ncccn2)C1	ZINC22_24444462	327.384	RGFOCMWKVNYROD-LBPRGKRZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082528
NC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ncccn1	PC-id_119117963	327.388	XJIZOCIMXLOSMQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082529
c12CN(Cc1sc(OC)c2C(=O)OCC)C(=O)OC(C)(C)C	MCULE-5653995998,EMOLS-id_331066146	327.396	DHIYBPJRGZIVMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082530
C1(c2ccc(cc2)F)(C(=O)NCc2c3CCCc3[nH]n2)CC1(C)C	PC-id_72887054,MCULE-1488572788,EMOLS-id_46060771	327.396	UUDOZBVBWMDLMQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-082531
c1(C(=O)NCC2(CCCC2)c2cccc(F)c2)c2CCCc2[nH]n1	EMOLS-id_49887551,ZINC22_215934275,MCULE-2681922615,PC-id_77090690	327.396	QTRYUUFEMCSRLN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082532
C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cnn2c1CCC2	PC-id_164630919,ZINC22_572407279	327.396	IIQUAAPDHCXHDA-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082533
C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cnn2c1CCC2	ZINC22_572407278	327.396	IIQUAAPDHCXHDA-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-082534
CC1(C)C[C@]1(C(=O)NCc1n[nH]c2c1CCC2)c1ccc(F)cc1	PC-id_97131113,ZINC22_91645275	327.396	UUDOZBVBWMDLMQ-LJQANCHMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-082535
CC1(C)C[C@@]1(C(=O)NCc1n[nH]c2c1CCC2)c1ccc(F)cc1	ZINC22_91645276,PC-id_97131114	327.396	UUDOZBVBWMDLMQ-IBGZPJMESA-N	00100010100000110001100010000000000000000000000000000000	25-01-082536
CC1(CCCN1C(=O)c1c2CCCn2nc1)Cc1cc(ccc1)F	PC-id_136549464,EMOLS-id_316919465,MCULE-1435315332	327.396	IIQUAAPDHCXHDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082537
CCOC(=O)c1c(NC(=O)COCCOC)sc2CCCc12	MCULE-8685483876,EMOLS-id_328010233	327.396	YCNGJWCOKVARQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082538
CCOC(=O)C1C(O)c2c(N1C(=O)OC(C)(C)C)sc(c2)C	SCHEMBL18607367	327.396	DDMXLUMDMHPRBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082539
Fc1ccc(cc1)C1(CCCC1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318715257	327.396	GWXBUAUEXLVDDC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082540
Fc1ccc(cc1)C1(CCCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319596829	327.396	CNXAHQQIMISDJB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082541
Fc1cccc(c1)C1(CCCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319183773	327.396	LZJXIEVSEJWLIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082542
Fc1cccc(c1)CC1(CCC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318222948	327.396	DBOPFHOULGVXQE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-082543
Fc1cccc(c1)CC1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320084252,MCULE-9534249616	327.396	CJRDCJJJSBPCCV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-082544
Fc1cccc(c1)CC1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319334343	327.396	AONRQPWZCBDGQB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-082545
O=C(C1(CCCC1)c1ccccc1F)NCc1cnc2n1CCC2	EMOLS-id_318839055	327.396	BQIPEJRBDZAUMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082546
O=C(C1(CCCC1)c1ccccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_319287470	327.396	AEUVSNYOFGNVNM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082547
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-8789850908,PC-id_675861,EMOLS-id_300202244	327.397	SXIXREYSWSWKRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082548
C=Cc1ccc(C(=O)c2c(SC)cc3n2CCC3C(=O)O)cc1	CHEMBL280943,SCHEMBL10812789,PC-id_13687504	327.397	ZMPJVEFCSNYZAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082549
C=CCSc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	SCHEMBL10816723,PC-id_70450227	327.397	OXJOPMQHGXSSSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082550
COC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_187557	327.397	SXIXREYSWSWKRU-KHPPLWFESA-N	00000010100000110000000010000000000000000000000000000000	25-01-082551
COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2	SPECS-id_AT-225/NB59978,PC-id_1553506,ChemDIV2798-1100,BAS-01292334,EMOLS-id_25814155,SPECS-id_AT-084/J158774,CoCoCo_187556,ZINC22_38736,SPECS-id_AN-153/I120916	327.397	SXIXREYSWSWKRU-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082552
COCCC1C(O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_21735823,SCHEMBL9651669	327.398	GJLMEDYOUDHFTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082553
Nc1cc(cc(c1C)F)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_116791735	327.398	OQAJGBOGHMYEPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082554
NCc1cc(ccc1F)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053313	327.398	FSMMKIZSXKBGRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082555
NCc1ccc(c(c1)F)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053368	327.398	IUNPKVZHNNOTCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082556
NCc1ccc(cc1S(=O)(=O)Nc1sc2c(n1)CCC2)F	PC-id_106053338	327.398	NQDDUBUIEIYIMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082557
NCc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)F	PC-id_106053345	327.398	RLSIOVMEEMNZKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082558
s1c2CCCc2nc1NS(=O)(=O)c1c(cc(F)c(N)c1)C	PC-id_80163287	327.398	RUKKJBGUEHKHFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082559
s1c2CCCc2nc1NS(=O)(=O)c1c(c(F)cc(N)c1)C	PC-id_79900978	327.398	LCDALUPAIAWZKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082560
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)c(cc1F)C	PC-id_64193947	327.398	FRKKSMYGJAGJOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082561
s1c2CCCc2nc1NS(=O)(=O)c1c(F)c(cc(N)c1)C	PC-id_80628503	327.398	WIKGKYZHOZIENQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082562
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1ccc(F)cc1	PC-id_7640543	327.398	YDBUBLVFVNKSOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082563
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1cc(F)ccc1	PC-id_7640542	327.398	XZFKVWPQIGZPSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082564
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1c(F)cccc1	PC-id_7640541	327.398	NQMZPJVXRSJUBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082565
CCC1OCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389729	327.399	ASEBRCBTCJYJHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082566
CNC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C)C	SCHEMBL18748716	327.399	SPHZRWIGVNNMRF-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082567
COC1CCCCC1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110874291	327.399	CCUUOSVGRGVTJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082568
COC1CCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110874297	327.399	KOVWOKHWIYFVJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082569
COC1(OC)CCOCC1NC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_319317949	327.399	NLPBLTYLXGZEEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082570
O=C(c1nn2c(c1)OCC2)NS(=O)(=O)CCC1CCCCC1	EMOLS-id_112089152	327.399	NIZZFKAUZRAJCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082571
O=C(N1Cc2c(C1)nc(n2C)S(=O)(=O)C1CC1)OC(C)(C)C	SCHEMBL17373206,PC-id_118607897	327.399	VCSNGQBBERQTFX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-082572
O=C(NS(=O)(=O)c1cnc2n1CCC2)CCC1CCCCO1	EMOLS-id_110405150	327.399	FGVVLGNLJCKBSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082573
O=C(NS(=O)(=O)c1cnc2n1CCC2)CCC1CCC(O1)C	EMOLS-id_110495709	327.399	AKFTYOZWGBLUFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082574
O=C(NS(=O)(=O)c1cnc2n1CCC2)CCC1CCOCC1	EMOLS-id_110481200	327.399	LBJOJLOWPYGGGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082575
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)NC1CC1	ZINC22_13329121,EMOLS-id_13329856,MCULE-2259530710,CoCoCo_1067858,TIMTEC105913,PC-id_17173617	327.401	CPTNBWGVPFSOLA-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-082576
c1(c2CCCc2sc1NC(=O)c1ccncc1)C(=O)NC1CC1	EMOLS-id_13329560,TIMTEC372727,PC-id_17173531,MCULE-7149999697,CoCoCo_1066891,ZINC22_13329252	327.401	PBODRCMZRAAQNU-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-082577
c1(NC(=O)Cn2c(C)cc(=O)cc2C)sc2c(CCC2)c1C#N	PC-id_108806533,EMOLS-id_182634236,MCULE-9753350114	327.401	IHNDXVUOIJXHKD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082578
Cc1ccc(nc1)NC(=O)c1cc2c(s1)CCN2C(=O)C1CC1	PC-id_97407218	327.401	XWPQMWSNERYRDW-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-082579
Cc1ccc(o1)c1ccc(s1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318835126	327.401	CXLWOLICJSHZRQ-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-082580
Cc1ccnc(n1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_100024323	327.401	NECUJJPSQPFEKY-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-082581
Cc1ncc(nc1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170437	327.401	CXJNAMXIQBFXEF-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-082582
CC(C)Oc1cncc(C(=O)Nc2sc3c(c2C#N)CCC3)c1	PC-id_145877966,ZINC22_178345578,MCULE-2606442296,EMOLS-id_316879166	327.401	ZNUKLESBJUCNQQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082583
C(=O)(Nc1sc2CCCc2c1C#N)C(N)Cc1ccc(cc1)O	MCULE-4485867744,EMOLS-id_327968100	327.401	RVNFDGLQDGBCHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082584
O=C(c1cc2c(s1)CCN2C(=O)c1cccnc1)N1CCCC1	EMOLS-id_44303526,ZINC22_96146776,PC-id_97442303	327.401	VBIQOEMSVWIZPL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-082585
O=C(c1ccccc1N1CCCC1=O)Nc1sc2c(n1)CCC2	EMOLS-id_318571126	327.401	XAMYMRMPPFFXMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082586
O=C(C1CC(=O)N(c2ccccc2)C1)Nc1sc2c(CCC2)n1	MCULE-2864748060,EMOLS-id_33346559,PC-id_51113859	327.401	FKJRHUPZDLXLPO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082587
O=C(C1ON=C(C1)c1ccccc1)NCc1sc2c(n1)CCC2	EMOLS-id_318580857	327.401	RTCLZXPLVJWCFV-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-082588
O=C(/C=C/c1ccccc1)NCC(=O)Nc1nc2c(s1)CCC2	ZINC22_12951931,PC-id_25629661,CoCoCo_4758931	327.401	HUIKYFCTTXNOLK-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082589
O=C(/C=Cc1ccccc1)NCC(=O)Nc1sc2c(n1)CCC2	CoCoCo_4758932	327.401	HUIKYFCTTXNOLK-KTKRTIGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082590
O=C(C=Cc1ccccc1)NCC(=O)Nc1sc2c(n1)CCC2	PC-id_72053856,EMOLS-id_26241096,MCULE-7138332371	327.401	HUIKYFCTTXNOLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082591
O=C(Nc1cccc(N2CCNC2=O)c1)c1cc2c(s1)CCC2	MCULE-3500598705,PC-id_71941520,EMOLS-id_44495991,ZINC22_60590862	327.401	PENSXTCNXJAQJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082592
O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc2c(s1)CCC2	MCULE-8676285216,PC-id_51300179,ZINC22_54325418,EMOLS-id_50299475	327.401	DWONWRMWANQBPU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082593
O=C(Nc1nc2c(s1)CCC2)c1cccc(NC(=O)C2CC2)c1	PC-id_33039595,EMOLS-id_33299530,MCULE-6455680348,ZINC22_25767930	327.401	DRRAHPYIGFASNN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082594
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2ccccc2)C1	PC-id_52237520,ZINC22_46237998	327.401	FKJRHUPZDLXLPO-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082595
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2ccccc2)C1	PC-id_52237521,ZINC22_46238000	327.401	FKJRHUPZDLXLPO-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-082596
O=C(NCC1CC1)c1cc2c(s1)CCN2C(=O)c1cccnc1	ZINC22_96264526,PC-id_97524465,EMOLS-id_44378896	327.401	HWFIKOSPVVPMJZ-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-082597
O=C(NCc1ccccn1)c1cc2c(s1)CCN2C(=O)C1CC1	EMOLS-id_44303610,PC-id_97442345,ZINC22_96146818	327.401	WEADQAOPMMQGRV-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-082598
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCC=C	PC-id_16947044	327.401	GOHHGVNBTHONLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082599
s1c2CCCc2nc1NC(=O)c1ccc(N2CCCC2=O)cc1	PC-id_33039013	327.401	SSDNOTUDTDETSB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082600
s1c2CCCc2nc1NC(=O)c1cc(N2CCCC2=O)ccc1	PC-id_26723457	327.401	KTINDXBVXJDOGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082601
s1c2CCC(C(=O)NC3CC3)c2nc1NC(=O)c1ccccc1	PC-id_16947151	327.401	YNDOBJQEOSSGAZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-082602
Cc1nc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)n2c1CCC2	ZINC22_2325811692	327.403	UYZLFZJOWRFBMQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-082603
CCNC(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184280	327.403	RSTDRBDKUVIKRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082604
CN1CCN(CC1)C(=O)c1nn(C)c2CN(Cc12)S(=O)(=O)C	PC-id_97389073,EMOLS-id_46160333,ZINC22_96066733	327.403	VUPZDZCTBXQMFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082605
CNC(=O)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184403	327.403	DWHYVUMOPOAGLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082606
CS(=O)(=O)N1CCC(C(=O)NCc2nnc3n2CCC3)CC1	MCULE-3630873498,EMOLS-id_35693009,PC-id_53515509,ZINC22_42648749	327.403	ASQUHUHKLDDJMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082607
NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_615943628	327.403	DAMRJAOZBXBTEY-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082608
NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_615943629	327.403	DAMRJAOZBXBTEY-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-082609
O=C(C1CCN(CC1)S(=O)(=O)N)Nc1n(C)nc2c1CCC2	EMOLS-id_110811724	327.403	WGDAAGMAKQDARS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082610
O=C(c1n[nH]c2c1CCC2)N1CCCCC1CNS(=O)(=O)N	MCULE-9576960086,EMOLS-id_316915707	327.403	DAMRJAOZBXBTEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082611
O=C(N1CCNCC1)CN(S(=O)(=O)c1cnc2n1CCC2)C	PC-id_121699720	327.403	VSBGZPJTSCCBDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082612
c1cc(CN2Cc3[nH]nc(COCc4nccs4)c3C2)ccn1	PC-id_97520310,EMOLS-id_44372016,ZINC22_96260233	327.404	UYDARKZRURDDOY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082613
Cc1scc(n1)c1c[nH]c(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320202013,MCULE-2790058382	327.404	ITDQKNDFLDSQNM-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-082614
Cc1scc(n1)c1c[nH]c(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319539684	327.404	YQUWPUQDBJJMPL-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-082615
Cn1cc(c2nn(C)cc2NC(=O)c2cc3c(s2)CCC3)cn1	MCULE-9421151530,EMOLS-id_172281895,PC-id_122132067,ZINC22_408516065	327.404	JEFLEWGLAPGVPU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-082616
Cn1cc(c(n1)c1cccs1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319561552	327.404	AJVIYUKPCJWGDG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-082617
n12ncnc1sc(=CN1CCN(CC1)Cc1ccccc1)c2=O	MCULE-4626923936	327.404	VVJPIAFJAPZRCJ-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-082618
O=c1/c(=C/N2CCN(Cc3ccccc3)CC2)/sc2ncnn12	ZINC22_618255298	327.404	VVJPIAFJAPZRCJ-KAMYIIQDSA-N	00000000100010110001000010000000000000000000000000000000	25-01-082619
O=C([C@@H]1CSC(=N1)c1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_316601225	327.404	QESWUQLEPIDOAL-GDKBPFBDSA-N	00000011100000110001100010000000000000000000000000000000	25-01-082620
OC[C@@H](N(C(=O)c1occ2c1CCC2)CC(c1ccccc1)C)C	EMOLS-id_318335504	327.417	VZVVBLNFCJZDTE-LOACHALJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082621
s1c2c(CCC2)c(c1NC(=O)CSC(=O)C)C(=O)OCC	PC-id_16949121	327.419	HFAQJEWBGGEEBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082622
c12CN(Cc1nn(CC(C)C)c2C(=O)OCC)Cc1ccccc1	EMOLS-id_324349792,MCULE-7224445849	327.421	MNGWHPCQPJHPAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082623
c1(CN(C)Cc2cc(C)c(c(C)c2)OC(=O)C)[nH]nc2CCCc12	PC-id_46990780,MCULE-5111432922,EMOLS-id_31613625,ZINC22_55228151	327.421	MZNSJHLIFIVGGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082624
c1(CN(C)C(=O)C(C)Oc2cc(C)ccc2C)[nH]nc2CCCc12	PC-id_46986164,EMOLS-id_31606869,MCULE-4271796481	327.421	RWXKVCMSAMCKOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082625
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC(C)C	EMOLS-id_331020728,MCULE-7409886304	327.421	NSOOGZXJSIUZFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082626
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)OCCC	MCULE-3980958825,EMOLS-id_331021240	327.421	YPUDCFXNFKSVAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082627
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1c(OC)cc(c(C)c1)C	EMOLS-id_331019964,MCULE-2291523931	327.421	JTTSFWMUUZKBPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082628
c1(C(=O)Nc2ccc(cc2)OCCCCCC)c2CCCc2[nH]n1	EMOLS-id_335122986,MCULE-9093993071	327.421	BWGMVZUFQYCTBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082629
c1(C(=O)NCc2ccccc2OC(C)(C)C)c2CCCc2n(C)n1	EMOLS-id_320479756,MCULE-6708364832,PC-id_84467410	327.421	UKDLOCGUKYBOCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082630
c1(C(=O)NCc2ccc(cc2)OC(C)(C)C)c2CCCc2n(C)n1	PC-id_84467411,EMOLS-id_320480012,MCULE-7251016694	327.421	HLKWYUTYPMLVST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082631
c1(C(=O)N(CC(C)C)Cc2ccc(cc2)OC)c2CCCc2[nH]n1	ZINC22_67514065,PC-id_46983798,EMOLS-id_31603358,MCULE-4430917289	327.421	YXULRGUWUBOOGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082632
c1(C(=O)N(CC(C)C)Cc2cccc(OC)c2)c2CCCc2[nH]n1	EMOLS-id_31615392,PC-id_46992006,ZINC22_55254889,MCULE-8213902622	327.421	NTWMRBBXTUBMHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082633
c1(C(=O)NCCOc2cc(C)ccc2C(C)C)c2CCCc2[nH]n1	EMOLS-id_323253693,MCULE-7648598149	327.421	CIDKYSRLIVEEAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082634
Cc1cc(C2OCCO2)c(cc1CNC1CC(n2c1ncc2)C)C	EMOLS-id_318947040	327.421	VBIPQSBGLHLMJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082635
Cc1ccc(c(c1)OCC1CCCO1)NCc1cnc2n1CCC2	EMOLS-id_318190531	327.421	TYJDFULZSVIGEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082636
Cc1ccc(c(c1)OC(C)(C)C)CNC(=O)c1cnc2n1CCC2	EMOLS-id_318490560	327.421	GMTAJTAUCPGTDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082637
Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2[nH]nc3c2CCC3)c1	PC-id_52382793,ZINC22_55109151	327.421	RWXKVCMSAMCKOJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082638
Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2[nH]nc3c2CCC3)c1	PC-id_52382794,ZINC22_55109153	327.421	RWXKVCMSAMCKOJ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082639
Cc1cc(OCC(=O)Nc2c3c(nn2C)CCC3)ccc1C(C)C	MCULE-4568284905,ZINC22_58416594,EMOLS-id_33361527,PC-id_47777700	327.421	VRLOPTUAKSSMJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082640
CC1(C)OC[C@H]([C@H](O1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318918063	327.421	JMZITUAWZFBKKZ-SJLPKXTDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082641
CCc1ccc(o1)C1CCCCCN1C(=O)c1cc2n(n1)CCC2	EMOLS-id_318330943	327.421	JQNLRCYWBISUTI-UHFFFAOYSA-N	00000010101000000101100010000000000000000000000000000000	25-01-082642
CC(Cc1cc(ccc1)OC)CC(=O)Nc1c2CCCc2nn1C	PC-id_136562779,EMOLS-id_316960923,MCULE-4470732757	327.421	NFJKJEFXAVYHJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082643
Cn1nc2c(c1NC(=O)COc1ccc(C(C)(C)C)cc1)CCC2	ZINC22_58417387,EMOLS-id_33363773,PC-id_51127315,MCULE-3697338867	327.421	XUXNQDURKSJXLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082644
COc1ccc(cc1)C1(CCOCC1)CNC1CCn2c1ncc2	EMOLS-id_318363188	327.421	JGRJAPXZLZWGJH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082645
COc1ccc(cc1)C1(CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318293576	327.421	CLIYBCQEYAFTPD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082646
COc1cccc(C[C@@H](C)CC(=O)Nc2c3c(nn2C)CCC3)c1	ZINC22_930591899	327.421	NFJKJEFXAVYHJV-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082647
COc1cccc(C[C@H](C)CC(=O)Nc2c3c(nn2C)CCC3)c1	ZINC22_930591901	327.421	NFJKJEFXAVYHJV-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082648
O(CCCCC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536297	327.421	NFEOCWCEVZJAKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082649
O(CCCCC)c1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1	PC-id_45536296	327.421	MAOFUDNYSYNFAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082650
OC[C@@H](N(C(=O)c1cnc2n1CCC2)CC(c1ccccc1)C)C	EMOLS-id_317984187	327.421	ITVBIYFLSNCBDO-LOACHALJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082651
O=C(N1CCC[C@@H]1c1occ(n1)C(C)(C)C)c1[nH]c2c(c1)CCC2	EMOLS-id_319405902	327.421	NIOAISHJDGSHGG-OAHLLOKOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-082652
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CCCC1	PC-id_92109319	327.421	PNUOTPUVCBNKAA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082653
Cc1onc(c1S(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102022879	327.422	UDUHDLPVWOCMOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082654
CCn1cc(cc1CO)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978047	327.422	ZGDXVDRZKFQRAR-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-082655
CCNCc1ccc(o1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053398	327.422	KEKGLYXKEBHNMU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082656
CNCc1oc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053321	327.422	DMOKXIPHJNYBBQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082657
NCc1c(C)oc(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053322	327.422	BWAOFKHCDAXORQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082658
s1c2CCCc2cc1C(=O)NNC(=O)CCSCC(=O)N	PC-id_37723109	327.422	TYWMQHBJSWUMRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082659
s1c2c(CCC2)c(c1NC(=O)C(N)CCS(=O)(=O)C)C#N	PC-id_61259667	327.422	JKYNIIVXVJKVOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082660
S1CC(N(CC1)C(=O)Nc1sc2CCCc2n1)CC(=O)O	PC-id_66445541	327.422	DCQXTGBFALQIPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082661
S1C(N(C(C1)C(=O)O)C(=O)Nc1sc2CCCc2n1)CC	PC-id_63780062	327.422	CZEQGNLVRPJAKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082662
c1(CN2CCC(CC2)COc2c(cccn2)C)nnc2CCCn12	MCULE-6040868974,EMOLS-id_320448172,ZINC22_585526594	327.424	LYDVEQNASLNGPP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082663
c1(CN2CCC(CC2)COc2ccncc2C)nnc2CCCn12	EMOLS-id_330496605,MCULE-9524497626,ZINC22_1889089383	327.424	VJGIKFUYTJXJOD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082664
c1(CN2CCC(CC2)COc2ccnc(C)c2)nnc2CCCn12	ZINC22_1775995626,MCULE-9779321431,EMOLS-id_317519944	327.424	BUTPQIPELQXEBE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082665
Cc1nc(ccc1NC(c1nn2c(c1)CCC2)C)N1CCOCC1	EMOLS-id_318053797,MCULE-6748091886	327.424	KLAREIAABOJUDM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082686
c1(CN2CCC(CC2)COc2cnccn2)c2CCCc2nn1C	ZINC22_1849250152,MCULE-1334102155,EMOLS-id_324550215,PC-id_154830494	327.424	GJEAFDUWULLWLV-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-082666
c1(CN2CCCC(COc3cccc(C)n3)C2)nnc2CCCn12	EMOLS-id_323896572,MCULE-5337612120	327.424	SZOATYBDSBZJGK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082667
c1(CN2CCN(CC2)Cc2ccc(nc2)OC)c2CCCc2[nH]n1	EMOLS-id_337758137,MCULE-3290396610	327.424	XDOWOFFPWNJGNC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082668
c1(c[nH]nc1C1CCCCC1)C(=O)N(C)Cc1c2CCCc2[nH]n1	PC-id_70721766,MCULE-7993175501,ZINC22_91444503,EMOLS-id_44707853	327.424	SEBGWNPZPODECV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082669
c1(C(=O)N2CCC(CC2)c2[nH]nc(C(C)C)c2)c2CCCc2[nH]n1	ZINC22_67895579,PC-id_56719101,MCULE-8361882030,EMOLS-id_36458643	327.424	FTERCEGGMUPJRW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082670
c1(NC(=S)NC(=O)c2ccccc2)sc2c(CCC2)c1C#N	SCHEMBL20248969,ChemDIV3807-1489,ZINC22_173703,PC-id_738894,STOCK1S-27562,CoCoCo_57809,CHEMBL1483995,SPECS-id_AJ-292/40175636,EMOLS-id_1209945,MCULE-7320297784,TIMTEC359718,BAS-00391460	327.424	OMXAWDLXQJAZRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082671
CC1CC(c2n1ncn2)NCc1ccccc1CN1CCOCC1	EMOLS-id_279081393	327.424	ZWJHNGHPGOSZRH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-082672
CC1CC(c2n1ncn2)NC(c1ccccc1)CN1CCOCC1	EMOLS-id_319193828	327.424	DUCAPQJKBJEDSW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-082673
CC1CC(c2n1ncn2)NCc1cccc(c1)CN1CCOCC1	EMOLS-id_319610369	327.424	YMIQTNFGEBQQPH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-082674
CC1CC(c2n1ncn2)NCc1ccc(nc1)OC1CCCCC1	EMOLS-id_316575720,MCULE-9803703171	327.424	WLZFXEMLDAUYLU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082675
CC1CC(c2n1ncn2)NCC(c1ccccc1)N1CCOCC1	MCULE-5442978609,EMOLS-id_319844836	327.424	AKGKTYSMDXRAFY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-082676
Cc1cc(cc(c1)C)C(NC(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_318553589	327.424	VEABLBRXPDOASU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082677
Cc1ccc(cc1)C(N(C(=O)NC(c1nnc2n1CCC2)C)C)C	EMOLS-id_318665888	327.424	QULQGUHIVYGLPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082678
Cc1cccc([C@@H](C)CNC(=O)NCCc2nnc3n2CCC3)c1	PC-id_97597562,ZINC22_96461468	327.424	VHZNNQIIUMEDBR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082679
Cc1cccc([C@H](C)CNC(=O)NCCc2nnc3n2CCC3)c1	PC-id_97597563,ZINC22_96461469	327.424	VHZNNQIIUMEDBR-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082680
Cc1cccc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)n1	ZINC22_1849478209	327.424	SZOATYBDSBZJGK-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082681
Cc1cccc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)n1	ZINC22_1849478210	327.424	SZOATYBDSBZJGK-OAHLLOKOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082682
Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1	PC-id_95766705,ZINC22_72279960	327.424	TXEXHEMDFDTGKF-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082683
Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_72279959,PC-id_95766704	327.424	TXEXHEMDFDTGKF-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082684
Cc1cc(n(n1)CC1CCCCN1C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_42878036,PC-id_72143670,MCULE-9983688044	327.424	TXEXHEMDFDTGKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082685
Cc1[nH]c(nc1C)C1CCCN(C1)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319649789	327.424	YLCUMEVCYQPJDA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082687
CC1OC(C)CN(C1)c1ccc(cn1)NC1CC(n2c1ncc2)C	EMOLS-id_318086909,MCULE-3016375863	327.424	PKFGBECIAYOVLZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082688
CC1OC(C)CN(C1)c1ccc(cn1)NCc1cnc2n1CCC2	EMOLS-id_318191461,MCULE-2622431813	327.424	SMZVPGUESZRNKD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082689
CCc1ccccc1NC(=O)C[C@@H](C)NCc1nnc2n1CCC2	PC-id_97229684,ZINC22_95419875	327.424	YBBCJVZEEAPKKH-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082690
CCc1ccccc1NC(=O)C[C@H](C)NCc1nnc2n1CCC2	PC-id_97229685,ZINC22_95419876	327.424	YBBCJVZEEAPKKH-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082691
CCc1ccccc1NC(=O)CC(NCc1nnc2n1CCC2)C	PC-id_75382591,MCULE-4427238004,EMOLS-id_48266039	327.424	YBBCJVZEEAPKKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082692
CCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(nn2C)CN(C)C	CHEMBL3551943,PC-id_97405283	327.424	VRSVJSILSSPUEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082693
CCc1cc(C)cc(c1NC(=O)N1Cc2c(C1)c(n(n2)C)N)CC	EMOLS-id_319132749	327.424	JLTXCHCVNZRJPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082694
CCc1ccc(CC)c(NC(=O)NCCc2nnc3n2CCC3)c1	MCULE-6550713244,PC-id_71857243,ZINC22_83820614,EMOLS-id_44582690	327.424	ZVMHEHCKDDSPII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082695
CCc1n(ncc1C(=O)NCc1cnc2n1CCC2)C1CCCC1	EMOLS-id_318944962	327.424	NSYULVGGNYHCSU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-082696
CC(C)c1nccn1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_95343093,ZINC22_69927721	327.424	JEOHDCJZHWMSCF-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082697
CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_69927719,PC-id_95343092	327.424	JEOHDCJZHWMSCF-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082698
CC(C(c1nnc2n1CCC2)NC(=O)N(Cc1ccccc1)C)C	PC-id_53621430,MCULE-2695721023,EMOLS-id_36704526	327.424	AZBQBSAAUYXTLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082699
CC(CCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319277469	327.424	GXBFTEXGOWXPFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082700
CCCCCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319204199	327.424	TXYMYOBEMMXWOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082701
CC(C)(C)[C@H](NC(=O)NCc1nnc2n1CCC2)c1ccccc1	PC-id_94049143,ZINC22_45386237	327.424	YYMDDPFZEPYYQA-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082702
CC(C)(C)[C@@H](NC(=O)NCc1nnc2n1CCC2)c1ccccc1	ZINC22_45386242,PC-id_94049144	327.424	YYMDDPFZEPYYQA-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082703
CC(C)[C@@H](NC(=O)N(C)Cc1ccccc1)c1nnc2n1CCC2	PC-id_95347159,ZINC22_69970937	327.424	AZBQBSAAUYXTLA-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082704
CC(C)[C@H](NC(=O)N(C)Cc1ccccc1)c1nnc2n1CCC2	ZINC22_69970934,PC-id_95347158	327.424	AZBQBSAAUYXTLA-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082705
CC(CCN1Cc2c(C1)n(nc2C(=O)NCc1cccnc1)C)C	EMOLS-id_207863113,MCULE-8857327338	327.424	DHXQFBCEQDJLIK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082706
CC(C)CN(C)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_36941139,MCULE-5106898844,ZINC22_71850042,PC-id_56822366	327.424	ADSHJGMMBDMRQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082707
CCCNc1nc2c([nH]1)C(C(=O)N2C)NCc1ccc(c(c1)C)C	SCHEMBL19013058	327.424	FBBHHRAEZNLMKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082708
CCCN(CC)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	MCULE-1124422617,ZINC22_69571512,EMOLS-id_36294667,PC-id_53582488	327.424	AWAJFEAEUBOVPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082709
CCC(NC(=O)c1cccc(c1)CNC1CC(n2c1ncn2)C)C	MCULE-5056237230,EMOLS-id_258181731	327.424	BGZNTXRPRYOMEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082710
CCN(c1ccc(C(=O)NCc2nnc3n2CCC3)cc1)C(C)C	MCULE-7370100392,ZINC22_58210441,PC-id_51101682,EMOLS-id_32148507	327.424	UMGARBHKFNAISD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082711
CCN(C(c1ccccc1)C(=O)NCCc1nnc2n1CCC2)C	MCULE-5844744886,PC-id_72020136,EMOLS-id_49006813	327.424	NUFLCYRAHKHLPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082712
CCN(C)[C@@H](C(=O)NCCc1nnc2n1CCC2)c1ccccc1	PC-id_95235485,ZINC22_68289769	327.424	NUFLCYRAHKHLPL-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082713
CCN(C)[C@H](C(=O)NCCc1nnc2n1CCC2)c1ccccc1	ZINC22_68289767,PC-id_95235484	327.424	NUFLCYRAHKHLPL-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082714
CC(N(C(=O)c1cc(ccc1C)NC1CC(n2c1ncn2)C)C)C	MCULE-3097941384,EMOLS-id_318737078	327.424	BOQXUJKGUZDWLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082715
Cn1nc(c2c1CN(C2)C(=O)c1cccn1C)CN1CCCCC1	PC-id_97405335	327.424	NFWILNCXPCIZJI-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-082716
Cn1nc(c(c1)C(=O)NCc1cnc2n1CCC2)C1CCCCC1	EMOLS-id_319287835	327.424	AZWMKSBVNYUACP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082717
CN(C[C@@H](n1ncc2c1C(C)(C)N(C2)C(=O)N)c1ccccc1)C	PC-id_140963679	327.424	XLSZWVPLRLLQOC-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082718
O=C(c1nn(c(c1)C1CC1)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319219437	327.424	PUBGDIXSIYWJKC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-082719
O=C(c1nn(c(c1)C)C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101554931	327.424	YLSSCVUGROYJAU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082720
O=C(c1nn(c(c1)C)C1CCCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_98861320	327.424	LLTBYJKOYNNWDM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082721
O=C(c1nn(c(c1)C)C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_318877856	327.424	VABAXBJXQDSMRR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082722
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)n1ccnc1C(C)C	MCULE-6787893428,PC-id_53618444,EMOLS-id_36689743	327.424	JEOHDCJZHWMSCF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-082723
O=C(c1n[nH]c2c1CCC2)N1CCCCCC1c1c(C)n[nH]c1C	EMOLS-id_318163245	327.424	FMUOEXSCDOGBLE-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-082724
OCCn1ncc2c1CN(C2)Cc1cnc(nc1)C1CCCCC1	MCULE-7574837774,PC-id_77090978,EMOLS-id_50540975	327.424	UJBZRYCWAATCQU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082725
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cn1cccn1	PC-id_92109877	327.424	MZBAIIZXIRYXJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082726
O=C(N(Cc1ccc(c(c1)C)C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318556945	327.424	OSURDACXDQKFCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082727
O=C(N(Cc1cccc(c1C)C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318573600	327.424	ROZJYTVZFIXGCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082728
O=C(NCc1n2CCCc2nn1)Nc1ccc(CCCCC)cc1	PC-id_60448688	327.424	FKNIISLDRQSTPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082729
O=C(N(Cc1nnc2n1CCC2)C)NC(c1cccc(c1C)C)C	EMOLS-id_318510425	327.424	RRZZVINTHQJPJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082730
O=C(N(Cc1nnc2n1CCC2)C)NC(c1ccc(c(c1)C)C)C	EMOLS-id_318701777	327.424	WSCBCRYQPWRLJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082731
O=C(NCC(c1cccc(c1)C)C)NCCc1nnc2n1CCC2	MCULE-6518700622,EMOLS-id_49103188,PC-id_71972720	327.424	VHZNNQIIUMEDBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082732
O=C(NC(C(C)(C)C)c1ccccc1)NCc1n2CCCc2nn1	MCULE-7254661112,PC-id_51084098,EMOLS-id_32005092	327.424	YYMDDPFZEPYYQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082733
s1c2CCCc2c(c1NC(=O)NC(=S)c1ccccc1)C#N	PC-id_23968661	327.424	FDPZPFQZMSIOAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082734
s1c2CCCc2nc1NC(=O)c1nc(sc1)c1ccccc1	PC-id_46565007	327.424	XEYZZYJOSYJFBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082735
CC(Cc1nnc(s1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100477461	327.426	YUMICYUTUYEOTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082736
CCNCc1cn[nH]c1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053394	327.426	BWBDXNGLVIRSFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082737
CNCc1c(C)[nH]nc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053339	327.426	ILDWZNISPUFTKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082738
CNCc1n[nH]c(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053325	327.426	OHEVWOUMCAHOIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082739
CNCCn1ncc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053381	327.426	KBGQCTWHPDRXJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082740
NCCCn1ncc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053393	327.426	FEVQIAMBXJYQGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082741
O=S(=O)(c1cnc2n1CCC2)Nc1nnc(s1)C(C)(C)C	EMOLS-id_100477488	327.426	RYJGWDNYMCRSNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082742
s1c2CCCc2nc1NS(=O)(=O)c1cn(nc1N)CCC	PC-id_61508209	327.426	JTNCRGVDFXQOJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082743
CC1CCCN(C1)c1ncnc(c1)NC(c1nnc2n1CCC2)C	MCULE-7954208246,EMOLS-id_318184528	327.427	QUMSZEWSVQWCPS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082744
Cc1nc(C)nc(c1)N1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_279083531	327.427	SONWJDPPZLGFDX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082745
CN1CCN(CC1)c1ncccc1CNC1CC(n2c1ncn2)C	EMOLS-id_319682555	327.427	PNCPCPCKYQQKDW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-082746
s1c2c(CCC2)c(OCC(O)CNC(C)C)c1C(=O)OCC	PC-id_3069887	327.439	AVSYSNRGJHFIEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082747
Cc1sc(c2c1C(=O)N(C2=O)CCCCCc1ccccc1)C	SCHEMBL16604925,PC-id_117982910	327.441	HDWWZXWZANYEEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082748
CCOC(=O)c1c(NC/C=C/c2ccccc2)sc2c1CCC2	PC-id_110827486	327.441	KIXJLHZZBCSOKQ-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082749
CN([C@@H]1Cc2c(C1)c(sc2C(=O)/C=C/c1ccc(cc1)O)C)C	PC-id_143295744	327.441	AYIPPHFHKZTCCT-MRZGDXHCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082750
COc1ccc(cc1)C1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_24970097,MCULE-3315440106,PC-id_42919775	327.441	KLNCXRCAGCYRSW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-082751
COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_4283104,ZINC22_27396451,PC-id_34749632	327.441	KLNCXRCAGCYRSW-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-082752
COc1ccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cc1	ZINC22_27396455,PC-id_34749636,CoCoCo_4283103	327.441	KLNCXRCAGCYRSW-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-082753
O=C(Nc1cccc(OC2CCCC2)c1)c1cc2c(s1)CCC2	PC-id_37439029,MCULE-1167990801,CoCoCo_4733086,EMOLS-id_27398203,ZINC22_30251406	327.441	GHKPHDJWDQXTGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082754
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)c1ccc(O)cc1	PC-id_78841294	327.441	YEKIFVBWSKYHML-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-082755
s1c2c(CCC2)c(c1N=Cc1c(cc(cc1C)C)C)C(=O)OC	PC-id_23959073	327.441	QYGOMRNUNDBSAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082756
s1c2CCCc2c(c1N=Cc1ccc(C(C)C)cc1)C(=O)OC	PC-id_24049035	327.441	RFFOQCRENKUITD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082757
s1c(C(=O)N(C2CC2)Cc2ccc(OC)cc2)cc2c1CCC2	PC-id_9298538	327.441	GRYQGROPNUFYRR-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-082758
CC(C1OCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101316556	327.442	KHDXZOGVXIIJIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082759
CC(C1OCCC(C1)NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100209409	327.442	JEWHNHSNEIQILH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082760
CC(CC1OCCC(C1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100209361	327.442	KKPRLYQGHPCYAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082761
CC(CC1OCCCC1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100288481	327.442	SICKDECUIFNISL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082762
CCC(C(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C)CC	ChEMBL-DNDi_CHEMBLF0541-0007,PC-id_5124221,CoCoCo_2666470	327.442	WHZABUABKBKXCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082763
CCCOC1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100182633	327.442	CHMCDMOKUIBHCC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-082764
CCN(S(=O)(=O)c1cnc2n1CCC2)C1CCOC(C1)(C)C	EMOLS-id_99490271	327.442	STIUOBNWYDSRJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082765
CC(OC1CC(C1(C)C)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100210984	327.442	YFOMMXSAYYJQIN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-082766
CCOC1CC(C1(C)C)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100224793	327.442	QFZNFQDTLXKZPE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-082767
CN(S(=O)(=O)c1cnc2n1CCC2)CC1(O)CCCCCC1	EMOLS-id_100624001	327.442	UBSDQZWCNYEOOH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-082768
COC1(CCC(CC1)C)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100398296	327.442	GBVGZMLOVDXNHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082769
OCC1(CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)C(C)C	EMOLS-id_98029444	327.442	STKRQWUQRMHFAB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082770
O=S(=O)(c1cnc2n1CCC2)NCC(C1(O)CCCC1)(C)C	EMOLS-id_101328192	327.442	WQEDIIFJQYHEAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082771
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)CC(C)(C)C)C1	PC-id_7484570	327.442	BQNIETCGMZVFGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082772
c1(cc2c(CCC2)s1)C(=O)N1CCC(C1)c1nc(C)cc(C)n1	EMOLS-id_179841,PC-id_110259311,BDE-19660423,MCULE-2989337334	327.444	XJWXYJCTGHOYSP-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-082773
c1(cc2c(CCC2)s1)C(=O)N1CCC(CC1)c1cncc(C)n1	MCULE-9746651196,BDE-32034842,EMOLS-id_233847,ZINC22_257270125	327.444	MSWUSIZOWPVHRE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-082774
c1(NC(=O)C=Cc2ccccc2)c2CSCc2nn1C(C)(C)C	PC-id_4134386,SCHEMBL4884501,MCULE-8647125755	327.444	RPJMLRBTZUACAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082775
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)n(C)nc2CSCc12	MCULE-1032737494	327.444	GGNVPBRMKZWMML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082776
Cc1ccc(cc1)C1CSCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318220218	327.444	BBVMHPBHMOUHOR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082777
Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1	PC-id_95829829,ZINC22_72369695	327.444	XJWXYJCTGHOYSP-CQSZACIVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-082778
Cc1cc(C)nc([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)n1	PC-id_95829830,ZINC22_72369696	327.444	XJWXYJCTGHOYSP-AWEZNQCLSA-N	00000010100000100001100010000000000000000000000000000000	25-01-082779
CC(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324850913	327.444	ACKGVGKLXMOBAY-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082780
CC(C)c1ccc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc1	EMOLS-id_334562232	327.444	GGNVPBRMKZWMML-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082781
CCCc1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324843246	327.444	MRQSUEGFQNWYNT-KAMYIIQDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082782
CC(C)c1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324849383	327.444	KMFOMUQLZYUNTH-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082783
CC(C)Cc1nc2s/c(=Cc3ccc(cc3)C(C)C)/c(=O)n2n1	EMOLS-id_324857069	327.444	NUJUWKQPXNCHQA-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082784
CCC(CC)c1nc2s/c(=Cc3ccc(CC)cc3)/c(=O)n2n1	EMOLS-id_324852458	327.444	FMUXTVUTTFCKPU-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082785
CC(C)(C)n1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2	SCHEMBL4884488,ZINC22_189397,PC-id_6018236,CK3119504,EMOLS-id_26440590,CoCoCo_4972562	327.444	RPJMLRBTZUACAU-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082786
C[C@H]1CN(C(=O)c2cnc3n2CCS3)CC[C@H]1c1ccccc1	ZINC22_1875271556	327.444	NPFGRCHWYFZESJ-DZGCQCFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082787
C[C@@H]1CN(C(=O)c2cnc3n2CCS3)CC[C@@H]1c1ccccc1	ZINC22_1875271557	327.444	NPFGRCHWYFZESJ-HIFRSBDPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082788
C[C@@H]1CN(C(=O)c2cnc3n2CCS3)CC[C@H]1c1ccccc1	ZINC22_1875271558	327.444	NPFGRCHWYFZESJ-UKRRQHHQSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082789
C[C@H]1CN(C(=O)c2cnc3n2CCS3)CC[C@@H]1c1ccccc1	ZINC22_1875271559	327.444	NPFGRCHWYFZESJ-ZFWWWQNUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082790
C=C(NCc1cc2c(s1)C(=O)NC2)NCc1ccc(c(c1)C)C	PC-id_142387933	327.444	IOFOWIZAOKOEGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082791
n12c(=O)c(=Cc3ccc(cc3)C(C)(C)C)sc1nc(C(C)C)n2	MCULE-7833910965	327.444	KMFOMUQLZYUNTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082792
n12c(=O)c(=Cc3ccc(CC)cc3)sc1nc(C(CC)CC)n2	MCULE-4061988352	327.444	FMUXTVUTTFCKPU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082793
n12c(=O)c(=Cc3ccc(C(C)C)cc3)sc1nc(C(C)(C)C)n2	MCULE-7870724689	327.444	ACKGVGKLXMOBAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082794
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCC	MCULE-2262914718	327.444	MRQSUEGFQNWYNT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082795
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)CC(C)C	MCULE-7549412563	327.444	NUJUWKQPXNCHQA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-082796
n1c2CCCc2sc1CN1CCN(C(=O)C1)Cc1ccccc1	PC-id_146074459,MCULE-8620491643,EMOLS-id_324081424,ZINC22_1889117829	327.444	VTEXLZSCZWZNTC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-082797
NC(=O)C1(CCN(C1)Cc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318424548	327.444	IHJOKAZGLGKXHZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082798
O=C1C(CCCN1Cc1ccccn1)NC1CCc2c1scc2	EMOLS-id_318596610,MCULE-2591460413	327.444	CVMADEWDNCJSDS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-082799
O=C(c1cc2c(s1)CCC2)N1CCN(Cc2ccccn2)CC1	PC-id_40407431,MCULE-7393687372,EMOLS-id_31858575,ZINC22_33237841	327.444	KGSAGHWUQJFBPB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082800
O=C(c1cc2c(s1)CCC2)N1CCN(Cc2cccnc2)CC1	EMOLS-id_31867296,CoCoCo_4476299,ZINC22_40481020,PC-id_45802548,MCULE-8755571871	327.444	GBHGXJNQUZRDRH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082801
O=C(c1cc2c(s1)CCC2)N1CCN(Cc2ccncc2)CC1	ZINC22_23703158,CoCoCo_3873657,MCULE-9162597161,PC-id_9226250	327.444	QTDCCMPZBQRPHP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-082802
O=C(c1ccc(cc1)CNc1sc2c(n1)CCC2)N1CCCC1	EMOLS-id_318492387,MCULE-4895163370	327.444	LJXGZGGMGVIKTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082803
O=C(c1ccc(cc1)NCc1sc2c(n1)CCC2)N1CCCC1	MCULE-9123157722,EMOLS-id_318139848	327.444	ONVGVSNGXONQEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082804
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)Nc1ccccn1	MCULE-2555253527,EMOLS-id_318602580	327.444	PJXVVEYSPLOHIP-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-082805
O=C(Nc1c2CSCc2nn1C(C)(C)C)/C=Cc1ccccc1	CoCoCo_4972563	327.444	RPJMLRBTZUACAU-KTKRTIGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082806
O=C(NCc1ccc(N2CCCC2)nc1)c1cc2c(s1)CCC2	ZINC22_30297961,EMOLS-id_31890557,PC-id_37481987,CoCoCo_4808684,MCULE-6420418347	327.444	RFQVNMMAAATYLP-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-082807
O=C(NCc1ccnc(N2CCCC2)c1)c1cc2c(s1)CCC2	ZINC22_24442071,PC-id_31819083,MCULE-3942990818,EMOLS-id_31890158,CoCoCo_4697933	327.444	KEELHMZIJJGNKX-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-082808
s1c2CCCc2cc1C(=O)NN=C(c1ccc(N(C)C)cc1)C	PC-id_84965638	327.444	MKEPJCIQWIQFMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082809
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(N(C)C)cc1)/C	PC-id_9259123	327.444	MKEPJCIQWIQFMI-UNOMPAQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082810
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccccc1	PC-id_44060351	327.444	YBKDEGJPSICNHM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-082811
CC1CC(C)CN(C1)S(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_98765550	327.446	KOBVLUSTJBCATG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082812
CC(c1nnc2n1CCC2)NS(=O)(=O)N(C1CCCCC1)C	EMOLS-id_98765454	327.446	BNOBKBNWPJMKJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082813
CN1CCN(CC1)CC(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100176320	327.446	CUFGYSKNBLXLOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082814
CN1CCN(CC1)C(CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100224778	327.446	WSRKZNKZQOOVTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082815
CN(C)S(=O)(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	EMOLS-id_313786266,ZINC22_2055781609	327.446	UAWYAUNWDJFEER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082816
CC(n1nc(c2c1CN(C2)Cc1cscc1)Cn1cccn1)C	PC-id_97405376	327.447	WLYPEJHJTGVGSZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-082817
N#Cc1ccc(nc1NCCc1nc2n(c1)CCS2)C(C)(C)C	EMOLS-id_318725640,MCULE-9029565064	327.447	FOBFRXUCVOBBJO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082818
c12SCCn1cc(CNC(=O)CSc1nnc(C)s1)n2	ZINC22_55576232,PC-id_46982622,EMOLS-id_31601639,MCULE-8016500395	327.449	ITIFUNBAXQNYED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082819
CCCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_58844719,PC-id_94831246	327.462	YOOZAWRRTDTLLR-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082820
CCCN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_84750316,PC-id_97027737	327.462	YOOZAWRRTDTLLR-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082821
CCCN(C(=O)c1sc2c(c1)CCC2)C1CCS(=O)(=O)C1	EMOLS-id_44491202,PC-id_71944583,MCULE-7351498336	327.462	YOOZAWRRTDTLLR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082822
CCS(=O)(=O)C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_111927676	327.462	PHNYELIYZGWYBK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082823
O=C(c1sc2c(c1)CCC2)CC1CCCN(C1)S(=O)(=O)C	PC-id_115784303	327.462	SCJIWBUVHCOPCX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082824
c1(CN(C)Cc2ccc(cc2)CCC(C)(C)O)c2CCCc2[nH]n1	MCULE-4530721834,EMOLS-id_43145300,ZINC22_72454552,PC-id_70758736	327.464	XODKXHHVXGBICP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082825
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1CCC=CC1	PC-id_92109884	327.464	DEMCSXKAGHQEFC-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-082826
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)Cc1ccccc1	PC-id_9041425	327.464	XLGIPXYMOQGLOO-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-082827
O=C([C@@H]1CCCN1Cc1sc2c(n1)CCC2)N=S(=O)(C)C	EMOLS-id_316520619	327.465	VVISJNKZBLAYSK-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-082828
O=C(Cn1ncc2c1CSC2)NCCSC1CCOCC1	PC-id_92077259	327.465	UKKHUFJFOOVIAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082829
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(O)CSCC1	EMOLS-id_102003690	327.465	HGGGHQSMQKDCRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082830
O=S(=O)(c1cnc2n1CCC2)N1CCSCC1C1CCC1	EMOLS-id_101946429	327.465	BGSHUZQVKYVGLS-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-082831
s1c2CCCc2cc1C(=O)NN(C(=S)NCCCOC)C	PC-id_9329168	327.465	GJELLPIMBKHHKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082832
s1c2c(CCC2)c(c1NC(=S)NCCN(C)C)C(=O)OC	PC-id_20174192	327.465	GVTZVBQFISNYLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082833
s1c2CCCc2cc1C(=O)Nc1c(C(C)C)cccc1C(C)C	PC-id_8778683	327.484	HFPNDOIECMUHMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082834
CCc1ccc(cc1)C1CNCCN1Cc1sc2c(n1)CCC2	MCULE-6528008682,EMOLS-id_318343121	327.487	WLELRJPACSFNFM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082835
NCC1(CCN(CC1)Cc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318508977,MCULE-7755954321	327.487	RWKXBIZIUKIMTL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-082836
S=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2c1CCC2)C	PC-id_14536096	327.487	NGPAJMBVPQGDKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082837
O=C(CSC(=S)N1CCCC1)Nc1nc2c(s1)CCC2	ZINC22_48597094,MCULE-7156070860,PC-id_47119162,EMOLS-id_36623564	327.489	GOCOQHMBDARZLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082838
s1c2CCCc2cc1C(=O)NNC(=S)NCCC[NH+](C)C	PC-id_8472801	327.489	ZBVDUOJICPPCLG-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-082839
S1c2n(CC1)c(c(n2)C)CSCC/N=C(SC)/NC#N	PC-id_50878406	327.492	PCHVHCNBPIFXRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082840
[Si](c1ccc(CNC(=O)c2n(nc3c2CCC3)C)cc1)(C)(C)C	PC-id_14536069	327.496	HJIWTORUTMOIRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082841
CNC(C1CCCC(C1)S(=O)(=O)C)c1sc2c(c1)CCC2	PC-id_105014107	327.505	UOHALOPRRQTGRN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082842
CC(C)[Si](c1nc2c(s1)C(CO2)C(=O)O)(C(C)C)C(C)C	PC-id_90303344,SCHEMBL15903433	327.514	RXPUNBVTKYZMKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082843
S(c1c2n(c(SC(C)C)c1SC(C)C)C=CC2)C(C)C	PC-id_14416403	327.571	PCPVDKGNFBYCEZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-082844
S(c1n2c(c(SC(C)C)c1SC(C)C)C=CC2)C(C)C	PC-id_14416404	327.571	PZAKQGVGIZRBQU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-082845
NC(=O)c1c(NC(=O)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_4503183,ZINC22_6261969	327.615	GUWBWRZZRAXNTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082846
Brc1ccc(C(Cl)c2sc3c(CCC3)c2)cc1	PC-id_55199441	327.667	GLDVPMGJDYGMPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082847
BrC(c1sc2c(CCC2)c1)c1ccc(Cl)cc1	PC-id_63437027	327.667	VWZPLGPBEWNVAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082848
OC(=O)O[C@H]1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F	SCHEMBL19583827	327.696	NAPFXKHQKRCHGB-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-082849
CC1Cn2c(C1)ns/c/2=Nc1cc(C(=O)O)c(cc1F)Cl	SCHEMBL10547419,PC-id_14406661	327.762	BMSKNDWFTZMZOP-SSZFMOIBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082850
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)Cl	SCHEMBL10814968	327.762	LIFLJYIKBUYQSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082851
CCOC(=O)C1CCCN(C1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960044	327.763	MNKZEPQAMZLSIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082852
c1(C(=O)c2ccccc2)n2CCCc2c(C#N)c1NC(=O)CCl	EMOLS-id_2365095,CHEMBL582692,CoCoCo_672884,PC-id_872979,ChEMBL-DNDi_CHEMBL582692,MCULE-1535958544	327.765	ONCXYOTVJLUZDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082853
COc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)Cl	EMOLS-id_318368123	327.787	ODVYVNWLTQZGLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082854
COc1cc(C)c(cc1Cl)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316610876	327.787	BKHWOTVRAWNXKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082855
COc1cc(Cl)ccc1S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316448279,MCULE-9447458812	327.787	VCLWXFNPJLJHNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082856
COc1ccc(S(=O)(=O)Nc2cc3n(n2)CCC3)cc1Cl	ZINC22_1875281285,PC-id_146103335,EMOLS-id_324014445,MCULE-1166568978	327.787	ZRPQVMSLGBVTND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082857
COc1cc(NS(=O)(=O)c2cnc3n2CCC3)ccc1Cl	MCULE-9537836283,PC-id_146091166,EMOLS-id_324073498,ZINC22_683926029	327.787	FLLGMQDOYJDIFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082858
COCc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318090587	327.787	GVPHMQGYGXAPDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082859
O[C@H](c1scc2c1OC(O2)(C)C)CNc1nccnc1Cl	SCHEMBL19124199	327.787	AYPRVIRGQKGPFM-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082860
CC(c1nnc2n1CCC2)NS(=O)(=O)c1ncccc1Cl	MCULE-6354356494,EMOLS-id_320147800	327.79	JRDQROSRURQVEB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082861
Clc1c(S(=O)(=O)NC(c2n3CCCc3nn2)C)cncc1	PC-id_64282311	327.79	BCTPXIVWEMTBAB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082862
Clc1c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cncc1	PC-id_64283103	327.79	KIQVGMBUHXJMLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082863
Clc1ncccc1S(=O)(=O)N(Cc1n2CCCc2nn1)C	PC-id_60716097	327.79	BPOYXYWFQAECCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082864
Clc1ncccc1S(=O)(=O)NC(c1n2CCCc2nn1)C	PC-id_61053435	327.79	OUFXOYKMIGNDRL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082865
Clc1nccc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)c1	PC-id_61047563	327.79	PQJMFNCBSNVUIS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082866
Clc1nccc(S(=O)(=O)NC(c2n3CCCc3nn2)C)c1	PC-id_61053436	327.79	ZVSMTYBXSVLSOE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082867
Clc1ncc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_60707779	327.79	LIQAFTZJOMRZJH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082868
Clc1ncc(S(=O)(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_61052885	327.79	XVUOGHUHRINKGN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082869
C1Cc2c(C1C(=O)N)[nH]c(c2CCOCCO)C=NCCCl	PC-id_135931627	327.806	VZWHHTPQJPYSQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082870
Clc1c(scc1)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_80644172	327.806	YBKWYMUJWQLCSD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082871
Clc1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)cc1	PC-id_43359871	327.806	FXLKOZKCFZMQMT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082872
CCNC(c1cc(F)c(cc1Cl)F)c1sc2c(c1)CCC2	PC-id_107476447	327.82	DYVAUAXXFAWGOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082873
Clc1sc2c(C(NC(Cc3c(F)cccc3F)C)CC2)c1	PC-id_81246556	327.82	LSDUCWRYNKTFLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082874
Clc1sc2CCC(Nc3ccc(S(=O)(=O)C)cc3)c2c1	PC-id_81251587	327.849	KIJZHXFZZLUJLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082875
Clc1sc2CCC(Nc3cc(S(=O)(=O)C)ccc3)c2c1	PC-id_81252491	327.849	KGCOZXJTRNRWIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082876
Clc1sc2c(C(Nc3c(S(=O)(=O)C)cccc3)CC2)c1	PC-id_81252899	327.849	BUZBPQNHAPNYNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082877
Clc1sc2c(C(NC(CC(=O)O)c3sccc3)CC2)c1	PC-id_81251605	327.849	PADNFEMVGIUTML-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082878
c1(C(=O)Nc2sc3c(CCC3)n2)nc(sc1C(C)C)Cl	EMOLS-id_48570076,ZINC22_95479124,MCULE-1460133953,PC-id_71708360,STOCK7S-44242,EMOLS-id_49408654	327.853	UPKLSJUDHMRNPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082879
COc1cc(ccc1Cl)N=c1snc2n1CC(S2)(C)C	PC-id_101659656	327.853	PCKBXRRUSXWRBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082880
Clc1sc2c(C(NC3CCC(CC3)C(=O)OCC)CC2)c1	PC-id_81247219	327.869	BKAJDSYACZMUCZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082881
Clc1sc2c(C(NC3CCN(CC3)CC(=O)NC)CC2)c1	PC-id_81234658	327.873	JHVIEBBXQYVZAS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082882
ClCCCC(=O)N1CCN(CC1)Cc1sc2CCCc2n1	PC-id_44060348	327.873	LOEMVINDSLRNJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082883
C12=C(SC(=S)S1)SC(S2)(C(=O)ON)C(=O)ON	PC-id_153707904	327.877	FCGVLKWMAUKKHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082884
Clc1sc2c(C(NCC(N3CCN(CC3)C)(C)C)CC2)c1	PC-id_81235627	327.916	YHMALVFOOFGGOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-082885
Brc1sc(Br)c2c1[C@@H](O)[C@@H](O)C2=O	PC-id_398919,NSC709153,CoCoCo_5775675	327.978	GVOBFCMMTILMQG-NQXXGFSBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082886
Brc1sc(Br)c2c1C(O)C(O)C2=O	PC-id_78180637	327.978	GVOBFCMMTILMQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082887
Brc1sc(c2c1C(=O)[C@H]([C@@H]2O)O)Br	CoCoCo_5775676	327.978	GVOBFCMMTILMQG-WUJLRWPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082888
Brc1sc(c2c1C(=O)[C@H]([C@H]2O)O)Br	CoCoCo_5775677	327.978	GVOBFCMMTILMQG-UCORVYFPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082889
Brc1sc(c2c1C(=O)[C@@H]([C@H]2O)O)Br	CoCoCo_5775678	327.978	GVOBFCMMTILMQG-WVZVXSGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082890
Brc1sc(c2c1C(=O)[C@H]([C@H]2[NH3+])O)Br	GD-id_ZINC01638078	328.001	YOLIFSPBHKLMGH-UCORVYFPSA-O	00000010100000000000000010000000000000000000000000000000	25-01-082891
C1CC2=C(C1)N=C(N2)SCC3=CC=C(C=C3)OS(=O)(=O)F	PC-id_154880785,MCULE-1779531427	328.035	BZDFKZVQEVJSFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082892
BrC1C(NC(=O)C(F)(F)F)c2c(C1=O)csc2	PC-id_85108512	328.106	ULTFOIFPZADERA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082893
Brc1scc2c1C(NC(=O)C(F)(F)F)CC2=O	PC-id_378798	328.106	SYZHRDMXBWIMGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082894
Br[C@H]1[C@H](NC(=O)C(F)(F)F)c2c(C1=O)csc2	PC-id_10065050	328.106	ULTFOIFPZADERA-NTSWFWBYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082895
Br[C@@H]1[C@H](NC(=O)C(F)(F)F)c2c(scc2)C1=O	PC-id_1474717	328.106	JORNURPRWBYZSD-RFZPGFLSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082896
Br[C@H]1[C@H](NC(=O)C(F)(F)F)c2c(scc2)C1=O	PC-id_1474718	328.106	JORNURPRWBYZSD-CRCLSJGQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082897
Br[C@@H]1[C@@H](NC(=O)C(F)(F)F)c2c(scc2)C1=O	PC-id_1474719	328.106	JORNURPRWBYZSD-UHNVWZDZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082898
Br[C@H]1[C@@H](NC(=O)C(F)(F)F)c2c(scc2)C1=O	PC-id_1474720	328.106	JORNURPRWBYZSD-WHFBIAKZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082899
c1csc2C(=O)C(C(NC(=O)C(F)(F)F)c12)Br	PC-id_3756206,EMOLS-id_27478664,MCULE-3205086523	328.106	JORNURPRWBYZSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082900
O=C(C(F)(F)F)N[C@@H]1CC(=O)c2c1c(Br)sc2	CoCoCo_5726723,NSC662119	328.106	SYZHRDMXBWIMGW-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082901
O=C(C(F)(F)F)N[C@H]1CC(=O)c2c1c(Br)sc2	GD-id_ZINC01638246,CoCoCo_5726724	328.106	SYZHRDMXBWIMGW-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082902
C[N+]1=CC=C2N1CCN2CC3=CC(=CO3)C(=N)CC4=NC=CS4	PC-id_162249622	328.123	FYHPCEZPVAYAFV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-082903
COC1=CC=CC=C1N2CCC(C2)NC(=O)C3=NN4CCOC4=C3	PC-id_154803228	328.154	KKQJNKJZUGRFIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-082904
Clc1cc(Cl)c(c(c1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_320196824,MCULE-2030147940	328.169	FXVAHCIZACXJPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082905
Clc1cc(Cl)c(c(c1)C(=O)NCc1n[nH]c2c1CCC2)F	MCULE-3808119761,EMOLS-id_320009902	328.169	VEBDODFCHAXLQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082906
CSc1nnc2n1N=CC2=Nc1cc(c(c(c1)Cl)O)Cl	PC-id_136089199	328.177	FQFIWTPULPZDNJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-082907
CCC1=C(N2CCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=CN3C	PC-id_160709517	328.179	RRQYHZHYFFPYRN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-082908
CCCN1C=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)OC(C)C	PC-id_148548981	328.179	JFRHOHYQEZHVBJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-082909
CCN1C=CC=C1C(=O)C2=C(C=C3N2CCC3C(=O)OC(C)C)C	PC-id_148548980	328.179	ZSPQWRKGNYITEK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-082910
O=C(c1sncc1Br)NC1CC(n2c1ncn2)C	MCULE-4037294821,EMOLS-id_319921018	328.188	HIKZEVYTSNJUFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082911
C[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1nnc2n1CCC2	PC-id_94166705,ZINC22_48129593	328.197	PJBAQTZJTKFZQL-ZETCQYMHSA-N	00000010110000000001000010000000000000000000000000000000	25-01-082912
C[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1nnc2n1CCC2	PC-id_94166707,ZINC22_48129595	328.197	PJBAQTZJTKFZQL-SSDOTTSWSA-N	00000010110000000001000010000000000000000000000000000000	25-01-082913
Clc1c(Cl)cc(n1C)C(=O)NC(c1nnc2n1CCC2)C	PC-id_53500735,EMOLS-id_35713188,MCULE-3177007181	328.197	PJBAQTZJTKFZQL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-082914
CN(Cc1nnc2n1CCC2)C(=O)c1cc(Cl)c(Cl)n1C	MCULE-6825608177,EMOLS-id_35713474,PC-id_53498763,ZINC22_48343251	328.197	GHUIFUHEPDQXKP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-082915
CO[C@@H]1C[C@@H](N(C1)C2=NC=NC=C2)CNCC3=C4CCCN4N=C3	PC-id_154771919,MCULE-9219529028,EMOLS-id_317353754	328.201	VGVHGLGDJGRNSQ-HUUCEWRRSA-N	00000010100000100001100010000000000000000000000000000000	25-01-082916
Brc1cnc(c(c1)F)NCc1sc2c(n1)CCC2	EMOLS-id_318753754,MCULE-5540729330	328.203	JLGMQEMGNNZBPG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082917
OC1CN(C(C1)(C)C)C(=O)c1nn2c(c1Br)CCC2	EMOLS-id_318891726	328.205	WWQHFZNLRBHRGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082918
Clc1cc(NC(=O)c2sc3c(c2)CCC3)c(c(c1)Cl)O	PC-id_107675884	328.214	BAIJMMNYZCYTHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082919
Clc1cc(NC(=O)c2sc3CCCc3c2)cc(Cl)c1O	PC-id_82885103	328.214	YWJHVFYVMLOWOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082920
Clc1sc2CCC(Nc3cc(c(Cl)cc3)C(=O)O)c2c1	PC-id_81251606	328.214	XRJRJXLPDFASBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082921
OC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1Cl)Cl	PC-id_104287243	328.214	QSNQDAZAAVVVPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082922
OC(=O)C1CCc2c1nc(s2)Cc1ccc(c(c1)Cl)Cl	PC-id_104287321	328.214	VANJVPSKYYFEQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082923
OC(=O)C1CCc2c1nc(s2)Cc1c(Cl)cccc1Cl	PC-id_104287229	328.214	UDXWVERWLKTOGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082924
c1(NC(=O)c2ccc(cc2Cl)Cl)n(C)nc2CSCc12	MCULE-1932306608,EMOLS-id_188944307,STOCK7S-67049,ZINC22_604418858	328.217	LAZJUYVCUZTLEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082925
c1(NC(=O)c2ccc(c(Cl)c2)Cl)n(C)nc2CSCc12	MCULE-1939570055,EMOLS-id_334562228	328.217	RSLBDQONRWRDQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082926
c1(NC(=O)c2cc(Cl)ccc2Cl)n(C)nc2CSCc12	MCULE-5646832128,EMOLS-id_334561471	328.217	FNCMQDZPHOJSMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082927
Clc1cc(C(=O)Nc2sc3CCCc3n2)cc(Cl)c1N	PC-id_82833287	328.217	SNVMDGHEONFQMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082928
Clc1cc(C(=O)Nc2sc3CCCc3n2)cc(N)c1Cl	PC-id_61507909	328.217	FIQHRKZQYZTKDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082929
Clc1nnc(c(c1)C(=O)NCc1sc2c(c1)CCC2)Cl	PC-id_108096766	328.217	QHCDGMRYQJIOFC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082930
Nc1cc(Cl)c(c(c1)C(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_107184810	328.217	AGNYBBUBQFCKOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082931
Brc1cnc(s1)C(NCc1nnc2n1CCC2)C	MCULE-2368837131,EMOLS-id_317923536	328.231	DRXYXPASEXSNPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082932
NNC(c1n(C)nnc1Br)c1sc2c(c1)CCC2	PC-id_106466703	328.231	CUXCSUGASLGYNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082933
CC(C)C1=NC(=CC(=N1)NCCC2=NN=C3N2CCC3)C(C)(C)C	PC-id_154754651,MCULE-8468832566,EMOLS-id_257923953	328.238	VQNKJOHFNWFIHV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082934
OC(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19609311	328.247	QAMSLEPYDFOOAA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082935
OC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19584602	328.247	QAMSLEPYDFOOAA-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-082936
Brc1ccc(s1)C(=O)c1c(N)sc2c1CCC2	PC-id_10268316,SCHEMBL5676469	328.248	ZUTABZWFIQBEGW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082937
Brc1ccc(/N=c/2sc(=S)n3n2CCC3)cc1	PC-id_76320260	328.251	BRMWWXUYPZIDKH-RAXLEYEMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082938
Brc1cc(sc1)C[NH2+]C(c1n2CCCc2nn1)C	PC-id_75694748	328.251	LOMCAEYXQUTMOM-UHFFFAOYSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082939
Brc1cc(sc1)C[NH2+][C@H](c1n2CCCc2nn1)C	PC-id_51683314	328.251	LOMCAEYXQUTMOM-QMMMGPOBSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082940
Brc1cc(sc1)C[NH2+][C@@H](c1n2CCCc2nn1)C	PC-id_51683316	328.251	LOMCAEYXQUTMOM-MRVPVSSYSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082941
Brc1scc(C[NH2+]C(c2n3CCCc3nn2)C)c1	PC-id_75739679	328.251	XVWSTGSYGYRUPY-UHFFFAOYSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082942
Brc1scc(C[NH2+][C@H](c2n3CCCc3nn2)C)c1	PC-id_51886359	328.251	XVWSTGSYGYRUPY-QMMMGPOBSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082943
Brc1scc(C[NH2+][C@@H](c2n3CCCc3nn2)C)c1	PC-id_51886362	328.251	XVWSTGSYGYRUPY-MRVPVSSYSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082944
Brc1sc(C[NH2+]C(c2n3CCCc3nn2)C)cc1	PC-id_75694747	328.251	CPRYUZIVTUHOGE-UHFFFAOYSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082945
Brc1sc(C[NH2+][C@H](c2n3CCCc3nn2)C)cc1	PC-id_51683310	328.251	CPRYUZIVTUHOGE-QMMMGPOBSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082946
Brc1sc(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc1	PC-id_51683312	328.251	CPRYUZIVTUHOGE-MRVPVSSYSA-O	00000010100100000001000010000000000000000000000000000000	25-01-082947
Clc1c(C(N)c2sc3c(CCC3)c2)cc(Cl)c(OC)c1	PC-id_81833944	328.257	LJZFQSZZTLUDOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082948
Clc1c(O)c(CNCc2sc3c(CCC3)c2)cc(Cl)c1	PC-id_61207395	328.257	ZBULSBPSXVMHSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082949
Clc1sc2CCC(Nc3cc(Cl)c(OCC)cc3)c2c1	PC-id_81251849	328.257	VTHXFALZQAUWLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082950
Clc1sc2CCC(Nc3c(OCC)ccc(Cl)c3)c2c1	PC-id_81252693	328.257	BYGDHMGZGQBTIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082951
Clc1sc2CCC(Nc3c(OC)cc(Cl)c(c3)C)c2c1	PC-id_81252464	328.257	PRBSNLQNDHNSJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082952
COc1cccc(c1CNC1CCc2c1cc(s2)Cl)Cl	PC-id_103291913	328.257	CIIZITOEEPYMMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-082953
O=C(NCc1nnc2n1CCC2)c1ccc(F)c(C(F)(F)F)c1	PC-id_51095348,EMOLS-id_33315777,ZINC22_58369640,MCULE-6304674838	328.265	CXFVDMHZWHWPON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082954
BrC1CC(C1)CN(C(=O)c1sc2c(c1)CCC2)C	PC-id_80673134,EMOLS-id_314682222	328.268	YFDSHRJMHILWPV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-082955
BrC1CCC(C1)CNC(=O)c1sc2c(c1)CCC2	PC-id_106128476	328.268	YDCBMHFHRVYEBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082956
BrC1CCCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_114313763	328.268	OXTKSJSHSNVSFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082957
BrC1CCC(CC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_315640666,PC-id_113274243	328.268	TVRLSXSWXCRIJI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082958
BrC1CCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_114311919	328.268	ZTBJLTHYTJKSRP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082959
BrC1CN(CCC1C)C(=O)c1sc2c(c1)CCC2	PC-id_113757995	328.268	MFXTYLAYBKVAQQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082960
BrCC1CCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_114179464	328.268	BWKWEBYOSAPADA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082961
BrCC1(CCCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_114311359,EMOLS-id_315648603	328.268	NHYYACJPGLNKPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082962
BrCC1C(C)CCN1C(=O)c1sc2c(c1)CCC2	PC-id_102788130	328.268	IYBIHFOEXUZZJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082963
BrCC1CCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_80660897	328.268	RPCSAQODCHEFQS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082964
BrCC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_80678205,EMOLS-id_314697108	328.268	COXJSPNEKDDBHX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082965
BrCC1N(CCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_80660416	328.268	KCEAAMWAWJVOAC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082966
BrCCC1CCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_114801414	328.268	YUAQIKJSROOLCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-082967
BrCCC1(CNC(=O)c2sc3c(c2)CCC3)CC1	PC-id_113629868	328.268	WZMVANCIXWNHQX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-082968
BrCCN(C(=O)c1sc2c(c1)CCC2)C1CCC1	PC-id_102873213	328.268	VNJZRJZYCSIIBK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-082969
CC1CN(CCC1Br)C(=O)c1sc2c(c1)CCC2	PC-id_114683254	328.268	SZOPWWWJDBOUAN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-082970
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NCc1cnoc1C	EMOLS-id_319713626	328.29	YKINQCOVBOYWJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082971
Brc1ccc(s1)CC(c1sc2c(c1)CCC2)N	PC-id_115840894	328.291	DPFZZOJVHACQEH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082972
Brc1ccc(s1)CNCc1sc2c(c1)CCC2	PC-id_61208745,EMOLS-id_38138543	328.291	HPXIANBWIXEOIV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082973
Brc1ccsc1CNCc1sc2c(c1)CCC2	EMOLS-id_38549006,PC-id_61727483	328.291	MGEOJXVEBKVVJM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082974
Brc1cc(sc1)CNCc1sc2c(CCC2)c1	EMOLS-id_38138571,PC-id_61209136	328.291	UFOGTHNNJAYJKP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082975
Brc1csc(c1)CC(c1sc2c(c1)CCC2)N	PC-id_115847627	328.291	UDWJCHVMIDHVJI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082976
Brc1c(sc(c1)C)C(N)c1sc2c(CCC2)c1	PC-id_65279549	328.291	KPCZJQPQSLFMEF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082977
Brc1c(scc1)C(NC)c1sc2c(CCC2)c1	PC-id_80534848	328.291	WNMJLOMPNSMTRO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082978
Brc1scc(c1)CNCc1sc2c(c1)CCC2	PC-id_61208944,EMOLS-id_38138583	328.291	SYUQTKUJEMGORR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082979
Brc1sc(c(C(N)c2sc3c(CCC3)c2)c1)C	PC-id_65633582	328.291	MZTHUBKIHNHBTL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082980
Brc1sc(C(N)c2sc3c(CCC3)c2)cc1C	PC-id_79992283	328.291	DVRMJAIPXINJFE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082981
Brc1sc(C(NC)c2sc3c(CCC3)c2)cc1	PC-id_61104172	328.291	GVXRRHCJMHZEGB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082982
CNC(c1cscc1Br)c1sc2c(c1)CCC2	PC-id_105010422	328.291	HYBFQSHXETYBTF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082983
NC(c1sc2c(c1)CCC2)Cc1sccc1Br	PC-id_115848834	328.291	AIAAIADQYXMMLJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082984
NC(c1sc(c(c1)Br)C)c1sc2c(c1)CCC2	PC-id_102827010	328.291	WHJPADXLXLQQRU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-082985
Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nnn1C	ZINC22_1615547568,MCULE-4395613183,EMOLS-id_316297384	328.293	JPMGVFMLKVPBHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082986
CC(c1nnc([nH]1)C(F)(F)F)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_320000221,MCULE-4881216987	328.293	GEIISDZMWOBPBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082987
C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1nnc2n1CCC2	PC-id_94024443,ZINC22_44934588	328.293	AOEVJLVVTBOOBS-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082988
C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1nnc2n1CCC2	ZINC22_44934591,PC-id_94024444	328.293	AOEVJLVVTBOOBS-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082989
CN(Cc1nnc2n1CCC2)C(=O)Cn1ccc(C(F)(F)F)n1	PC-id_53498843,ZINC22_48344801,MCULE-3033667537,EMOLS-id_35706600	328.293	XQHMJDNDENUICN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082990
COc1nc(NC(c2nnc3n2CCC3)C)nc(c1)C(F)(F)F	EMOLS-id_318353771,MCULE-3043368438	328.293	BRIKCSYISUUQTM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-082991
FC(F)(F)c1nn(CC(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_45819130,EMOLS-id_31936180,MCULE-1143040335	328.293	AOEVJLVVTBOOBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-082992
s1c2c(cc1C=Cc1ccc([N+](=O)[O-])cc1)C(=O)C=C2[N+](=O)[O-]	PC-id_85640426	328.299	JDLWQARTPXFFRL-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-082993
CC1CCc2c1c(CO)nn2Cc1cc(ccc1F)C(F)(F)F	EMOLS-id_331006711,MCULE-9924495733	328.305	OYLVDDILWALINC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082994
CC1CCc2c1c(CO)nn2Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_331009781,MCULE-2397922821	328.305	QERUOJYPFOOKRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082995
CC1CCc2c1c(CO)nn2Cc1cccc(c1F)C(F)(F)F	EMOLS-id_331010038,MCULE-6569179377	328.305	PAJPLFSDPHRVFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082996
CC1CCc2c1c(CO)nn2Cc1ccc(c(F)c1)C(F)(F)F	MCULE-3170456914,EMOLS-id_331010037	328.305	QTFXQDNQRIYWJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082997
CC1CCc2c1c(CO)nn2Cc1ccc(F)cc1C(F)(F)F	EMOLS-id_331008246,MCULE-3654588961	328.305	MTONWVZIRFSLOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082998
CC1CCc2c1c(CO)nn2Cc1ccc(F)c(c1)C(F)(F)F	MCULE-5639721226,EMOLS-id_331006199	328.305	PXIMGQFLYQVVRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-082999
CC1CCc2c1c(CO)nn2Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_331008502,MCULE-8071018482	328.305	OKDGAUSTKPGPEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083000
CC1CCc2c1c(CO)nn2Cc1cc(F)cc(c1)C(F)(F)F	MCULE-5824790328,EMOLS-id_331006455	328.305	VGEUCVNHUXPJOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083001
CC1CCc2c1c(CO)nn2Cc1c(F)cccc1C(F)(F)F	EMOLS-id_331007990,MCULE-8481292019	328.305	ZMXPAAUVOIEJAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083002
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(CO)c12	EMOLS-id_330992560,MCULE-5071053785	328.305	IXRVDSLABZNCPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083003
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(CO)c12	EMOLS-id_330992817,MCULE-8111110103	328.305	ROQHCQXXIOOGAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083004
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(CO)c12	MCULE-8433515122,EMOLS-id_330993585	328.305	FVQRUPXONMYHFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083005
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(CO)c12	EMOLS-id_330992816,MCULE-9958979045	328.305	ZYZRWBPFFRDQPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083006
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(CO)c12	MCULE-3765111709,EMOLS-id_330991025	328.305	FSZSZKGWXMRUPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083007
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(CO)c12	MCULE-4850609645,EMOLS-id_330993073	328.305	IKFDGWZEGBBHDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083008
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(CO)c12	MCULE-7260555235,EMOLS-id_330991281	328.305	UQUGVRNDTVXAGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083009
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(CO)c12	MCULE-8702660686,EMOLS-id_330993329	328.305	MBUKQVKRFWQIEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083010
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(CO)c12	MCULE-5471754117,EMOLS-id_330990769	328.305	SKURWPSVPUIYQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083011
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1O	EMOLS-id_331009958,MCULE-5321579007	328.305	UOSRCWZPOMYLHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083012
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-5115296472,EMOLS-id_331006119	328.305	QUFHRVVHHSOZNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083013
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-9809103609,EMOLS-id_331007652	328.305	VXDOVNPXXRGYKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083014
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1O	EMOLS-id_331007396,MCULE-9963799355	328.305	GZJJNLIYARENCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083015
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1O	EMOLS-id_331007144,MCULE-3130022549	328.305	XKCOHKAPVNPHBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083016
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-9749898648,EMOLS-id_331009702	328.305	XHGXQCWFPYAHPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083017
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-7718439622,EMOLS-id_331007400	328.305	LXDLWKRGUXTGIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083018
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-8406998901,EMOLS-id_331006375	328.305	KKXDNMYZKCMKLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083019
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1O	MCULE-9086946567,EMOLS-id_331006888	328.305	UMNCLHNJNLCDMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083020
O=C(Nc1nc2c(s1)CCC2)c1ccc(OC(F)(F)F)cc1	MCULE-3417721012,EMOLS-id_17187879,ZINC22_12813852,PC-id_24240524,CoCoCo_4164244	328.31	ATSJELDSQVJSBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083021
O=C(O[C@@H](c1cccc(F)c1)C(F)F)c1cnc2n1CCS2	ZINC22_1875307596	328.31	FTIWUILXEQZOJQ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-083022
c1(NC(=O)c2ccc(nc2)C(F)(F)F)n(C)nc2CSCc12	ZINC22_1529091125,MCULE-7832009958,EMOLS-id_316194195,PC-id_134695546	328.313	OAACBRXYQYLJMY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083023
COC(=O)c1c(NC(=O)NCC2(C)CC2(F)F)nc2n1CCC2	EMOLS-id_319581754	328.315	ATAZLRAJUUSTML-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-083024
N=CN=C(c1nc2c(n1C(F)F)CN(C2)C(=O)OC(C)(C)C)N	PC-id_144979551	328.318	JTDFGXKXAXJEMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083025
C1Cc2c(C(=O)NN=Cc3c(OCC(=O)O)cccc3)n[nH]c2C1	PC-id_2039528,MCULE-9864820635	328.323	UUGKXKRQRZBPSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083026
O=C(N/N=C/c1c(OCC(=O)O)cccc1)c1n[nH]c2CCCc12	PC-id_6890746,SPECS-id_AT-225/NB41648	328.323	UUGKXKRQRZBPSY-CAOOACKPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083027
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)NC(=O)C)C	STOCK6S-85704,PC-id_135649901,MCULE-9010224377,EMOLS-id_27459658	328.326	QWBCDDNZZOFYJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083028
CC(=O)Nc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2914882,PC-id_68439388	328.326	WYROALQRCPLHGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083029
CC(=O)Nc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL4027187,PC-id_68882592	328.326	GYUZNQCETZOZCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083030
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135878691,ZINC22_31817065	328.326	QWBCDDNZZOFYJI-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083031
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc1	ZINC22_31817058,PC-id_135878690	328.326	QWBCDDNZZOFYJI-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083032
NC(=O)N1Cc2c(C1)c([nH]n2)N(c1ccccc1C(=O)N)C(=O)C	PC-id_68882588,SCHEMBL4027177	328.326	CHWWTZJLZOMLGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083033
CN(Cc1nnc2n1CCC2)S(=O)(=O)c1cc(F)cc(F)c1	EMOLS-id_27380387,ZINC22_32876313,MCULE-5710009442,PC-id_40111140,CoCoCo_4491281	328.338	MRDAYEDGCMBIMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083034
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2N	PC-id_68985731,SCHEMBL4283004	328.338	FRCFIZQWKOQWIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083035
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C1CNC(=O)C1	MCULE-1835298560,EMOLS-id_36611556,PC-id_56758037	328.341	MOZVPJROBUJJRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083036
O=C1C[C@@H](C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)CN1	PC-id_95227157,ZINC22_67947204	328.341	MOZVPJROBUJJRI-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083037
O=C1C[C@H](C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)CN1	PC-id_95227158,ZINC22_67947206	328.341	MOZVPJROBUJJRI-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083038
c1(cccc(C(=O)Nc2sc3CCCc3c2C#N)c1O)C(=O)O	EMOLS-id_328232731,MCULE-6973255493	328.342	IYIDYUAHZWABJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083039
Nc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)[N+](=O)[O-]	MCULE-4909906643,EMOLS-id_327898600	328.346	KSGGSJZXVYCPMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083040
N#Cc1c(NC(=O)COC(=O)c2cnccn2)sc2c1CCC2	ZINC22_6486211,MCULE-9443185368,EMOLS-id_18847146,CoCoCo_2913229,PC-id_7985568	328.346	JUIIJMKKNIRKMV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083041
S1Cc2c(noc2NC(=O)c2ccc(cc2)c2nc(on2)C)C1	PC-id_49720035	328.346	GZSBARCSTHHTJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083042
O=C(c1ccc(nn1)n1ccnc1C)Nc1onc2c1CSC2	PC-id_121114403	328.349	GICZMWXECDREQQ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083043
O=C(c1csnn1)N1Cc2[nH]nc(COc3cccnc3)c2C1	EMOLS-id_313727441,ZINC22_1565547321	328.349	NRTOZJATXVXWFF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083044
OCC(c1cc(F)c(c(c1)F)F)NCc1sc2c(n1)CCC2	PC-id_109948774	328.353	VGYHINKHQTVZNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083045
Cc1cc(NCCc2sc3c(n2)CCC3)nc(n1)C(F)(F)F	MCULE-8806733168,EMOLS-id_318621013	328.356	CFJXXRKAPUOCQB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083046
Cc1nc(NCCc2sc3c(n2)CCC3)cc(n1)C(F)(F)F	MCULE-9980229426,EMOLS-id_318500556	328.356	QYKJDGXINARNQT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083047
Cc1nc(NCCc2sc3c(n2)CCC3)nc(c1)C(F)(F)F	EMOLS-id_318700568,MCULE-3745839399	328.356	BCWIGZKNJUOPNG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083048
Cc1nnc(c(c1)C(F)(F)F)NCCc1sc2c(n1)CCC2	EMOLS-id_318409151,MCULE-4717755537	328.356	IREBCOYFNBMXNG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083049
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OCC)cc1)C	PC-id_85015603	328.429	UCKGRIAXLZAOPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083560
c1(c(F)ccc(C(=O)C)c1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328137135,MCULE-8772878270	328.361	AOJIAMXOBHIMTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083050
O=C(Nc1nc2c(s1)CCC2)c1ccc(c2ccccc2F)o1	EMOLS-id_43971926,CoCoCo_4164338,MCULE-4312329769,ZINC22_32772648,PC-id_40002186	328.361	AVOXDWUQAFZUGA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-083051
O=C(Nc1nc2c(s1)CCC2)c1ccc(c2ccc(F)cc2)o1	ZINC22_25768283,PC-id_33039961,CoCoCo_4164316,MCULE-3654888740,EMOLS-id_24497988	328.361	NWZYSUGHHGMRLP-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-083052
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC(=O)C	MCULE-2823471468,EMOLS-id_330971570	328.362	DCMFRHZWJNWGIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083053
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N[C@@H](CO)C(=O)O	MCULE-5154291581,EMOLS-id_328213873	328.362	CZJHPWVGCRXAMO-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083054
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2ccc(cc2)F)c1	MCULE-5554848933,EMOLS-id_323256772	328.364	HPJOEAXELQVKHB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083055
N#Cc1c(NC(=O)C2CC2c2cccc(c2)F)nc2n1CCS2	PC-id_60323651,MCULE-7995301873,EMOLS-id_44509037	328.364	OSOSMXXYKBQVJD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083056
N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)nc2n1CCS2	PC-id_96500834,ZINC22_78789144	328.364	OSOSMXXYKBQVJD-NEPJUHHUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083057
N#Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)nc2n1CCS2	ZINC22_78789141,PC-id_96500833	328.364	OSOSMXXYKBQVJD-RYUDHWBXSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083058
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)nc2n1CCS2	ZINC22_78789149,PC-id_96500836	328.364	OSOSMXXYKBQVJD-NWDGAFQWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083059
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)nc2n1CCS2	ZINC22_78789154,PC-id_96500839	328.364	OSOSMXXYKBQVJD-VXGBXAGGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083060
s1c2CCCc2nc1NS(=O)(=O)c1c(oc(c1)C(=O)O)C	PC-id_62805228	328.364	OZQIQTVFHNTBLU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-083061
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1cc(oc1C)C	MCULE-2777168566,EMOLS-id_207863058	328.366	IYFLQRHNJGSHIO-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-083062
C1Cc2c(C1)[nH]nc2C(=O)NC1CCOCC1Oc1ccccn1	PC-id_91780783	328.366	WOWHGZGTNROEFS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-083063
c1(CN(C)CC(=O)Nc2cccc(c2)C(=O)O)c2CCCc2[nH]n1	EMOLS-id_55687059,PC-id_91840574,ZINC22_252500712,MCULE-4583245349	328.366	TUNBONNKHREPPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083064
c1(C(=O)N2CCCN(CC2)C(=O)c2ccco2)c2CCCc2[nH]n1	MCULE-7966373968,ZINC22_363456810,PC-id_134704117,EMOLS-id_316180956	328.366	OROCQMNNLYYIRN-UHFFFAOYSA-N	00000010101000000101000010000000000000000000000000000000	25-01-083065
c1(C(=O)N2CCN(CC2)C(=O)c2ccco2)c2CCCc2n(C)n1	MCULE-2573698148,EMOLS-id_179745193,PC-id_110389043	328.366	DGTVGMIHRCGAEI-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083066
c1(C(=O)NC2CCN(CC2)C(=O)c2ccco2)c2CCCc2[nH]n1	MCULE-4136184331,EMOLS-id_323259577	328.366	BJNYNKKVZSYIQF-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083067
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccccc2)n1	MCULE-4098560400	328.366	NACZDPKQFLNWHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083068
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccccc2)n1	MCULE-6022462668,EMOLS-id_316333882	328.366	NACZDPKQFLNWHG-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083069
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccccc1	EMOLS-id_316325684,MCULE-4194690280	328.366	NBPSRDSANZSCKL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083070
c1(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)c2CCCc2[nH]n1	MCULE-4950178385,ZINC22_220708291,EMOLS-id_55662137	328.366	WOWHGZGTNROEFS-ZIAGYGMSSA-N	00000010100010101001000010000000000000000000000000000000	25-01-083071
CCc1ccccc1N(C(=O)N1Cc2c(C1)c(n[nH]2)C(=O)O)CC	PC-id_69252841,SCHEMBL4949129	328.366	QEXZOUSQLJTSBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083072
CCc1cccc(c1NC(=O)N1Cc2c(C1)c(n[nH]2)C(=O)O)CC	SCHEMBL4949121,PC-id_69252838	328.366	PSKCSVKNSIMNJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083073
CCc1cccc(c1NC(=O)n1nc(c2c1CNC2)C(=O)O)CC	PC-id_69252619,SCHEMBL4948576	328.366	NBSVOKQJERGFBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083074
CCc1cccc(c1)NC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319697115	328.366	QOUWYVIXPLSTPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083075
C=CCOc1ccc(C(=O)NCc2nnc3n2CCC3)cc1OC	ZINC22_12992896,EMOLS-id_16689445,PC-id_17504012,CoCoCo_4474393,MCULE-7643082114	328.366	MUVULLAGLANPCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083076
C[C@@H](NC(=O)c1ccc(NCc2cnc3n2CCC3)cc1)C(=O)O	ZINC22_901712235	328.366	FQYSXBXZBUYRLY-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083077
C[C@H](NC(=O)c1ccc(NCc2cnc3n2CCC3)cc1)C(=O)O	ZINC22_901712236	328.366	FQYSXBXZBUYRLY-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-083078
CCN(C(=O)n1nc(c2c1CNC2)C(=O)O)c1ccccc1CC	SCHEMBL4948583,PC-id_69252620	328.366	BEQMKBUZBZLDAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083079
CC(=O)c1cccc(OCC(=O)NCCc2nnc3n2CCC3)c1	EMOLS-id_36268764,MCULE-7748149300,ZINC22_69585635,PC-id_53529249	328.366	VMCPDZKWJBCSCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083080
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1)CNC2(C)C	PC-id_57523676,SCHEMBL1205681	328.366	OBGFRSZPLRFBAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083081
CCOC(=O)n1nc(c2c1C(C)(C)CC2)NC(=O)c1ccccn1	SCHEMBL6374532,PC-id_69757807	328.366	YLQBIPLEZUVGSR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083082
CCOC(=O)Nc1cccc(C(=O)Nc2c3c(nn2C)CCC3)c1	EMOLS-id_33313561,MCULE-8323257705,ZINC22_58415658,PC-id_47777442	328.366	AJFLGWOIWLYVAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083083
Cn1nc2c(c1NC(=O)COc1ccc(CC(=O)N)cc1)CCC2	ZINC22_58357565,EMOLS-id_33316655,MCULE-8644649105,PC-id_51096962	328.366	LGGDAOXYCJNERE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083084
CN(C)CC(=O)N1Cc2nc(C(=O)NCc3ccccc3)oc2C1	ZINC22_96266028,PC-id_97525790,EMOLS-id_44379888	328.366	MNKXYAYCTNOJHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083085
COc1ccccc1N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959859	328.366	DUHKAOWQAAYJHD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083086
COc1ccc(cc1)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959861	328.366	KGZCCXATOMXIEN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083087
COc1cc(ccc1OC)/C(=N/NC(=O)c1n[nH]c2c1CCC2)/C	SPECS-id_AT-225/NB39414,PC-id_9623327	328.366	VNLZLLVUSJQIHC-VCHYOVAHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083088
COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cn1	EMOLS-id_72955821,PC-id_120425284,ZINC22_275313458,MCULE-4208081982	328.366	CSVXWGWAUWLWRW-XJKSGUPXSA-N	00000010100000101001100010000000000000000000000000000000	25-01-083089
Clc1ncccc1S(=O)(=O)NCc1sc2c(CCC2)c1	PC-id_61216023	328.838	KGNCREAIVUCESD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083712
COc1ccc(C(=O)C)cc1CC(=O)NCc1nnc2n1CCC2	ZINC22_48326804,MCULE-4403551931,PC-id_47016895,EMOLS-id_30716103	328.366	OKLUDHDBESVPEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083090
COC1(COC1)c1ccc(cc1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_320104234,MCULE-4698127893	328.366	NOJSISWJAWIJPL-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-083091
C(=O)(c1n[nH]c2CCCc12)NN=C(C)c1ccc(OC)c(OC)c1	MCULE-5696521276,PC-id_3499297	328.366	VNLZLLVUSJQIHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083092
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1ccccc1	MCULE-9038000731	328.366	NBPSRDSANZSCKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083093
COC(=O)c1c(NC(=O)NCc2ccccc2C)nc2n1CCC2	EMOLS-id_319021918	328.366	OLJZUKVZFVPEPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083094
COC(=O)c1c(NC(=O)NCc2ccc(cc2)C)nc2n1CCC2	EMOLS-id_319120678	328.366	VLCZPWJSLPRGQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083095
COC(=O)c1c(NC(=O)NCc2cccc(c2)C)nc2n1CCC2	EMOLS-id_319502631	328.366	VBGLSLVREYJNJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083096
COC(=O)c1c(NC(=O)NC(c2ccccc2)C)nc2n1CCC2	EMOLS-id_319548645	328.366	PVSMXCDPPHGMQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083097
COC(=O)c1c(NC(=O)N[C@@H](c2ccccc2)C)nc2n1CCC2	EMOLS-id_319603660	328.366	PVSMXCDPPHGMQK-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083098
COC(=O)c1c(NC(=O)N[C@H](c2ccccc2)C)nc2n1CCC2	EMOLS-id_319612701	328.366	PVSMXCDPPHGMQK-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-083099
OC1(CC(=O)N2Cc3[nH]nc(COc4cccnc4)c3C2)CCC1	EMOLS-id_324117047,ZINC22_2056214991	328.366	YUHHMIXFLCZUJZ-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-083100
O=C(c1cccc(c1)OCc1nnc2n1CCC2)N1CCOCC1	EMOLS-id_319553567	328.366	INRRKEKXLRRIHU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083101
O=C(c1ccc(nc1)NC(=O)c1n[nH]c2c1CCC2)OC(C)(C)C	EMOLS-id_278415278	328.366	CCHJDGGXQSALHF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083102
O=C(C1CC(=O)N(C1)Cc1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319069806	328.366	BROBDXZUCZQBLD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-083103
O=C(c1cn2c(n1)CCC2)Nc1ccc(cn1)C(=O)OC(C)(C)C	EMOLS-id_316519318	328.366	IGOWJSJYKPZGLY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083104
O=C(C1NCc2c1c[nH]n2)Nc1cccc(c1)OCC1CCCO1	EMOLS-id_318800839	328.366	HMEWOHPHGLGGGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083105
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2NC(=O)c2ccccc2)C1	PC-id_71476648	328.366	HNLMRGYAJPPJBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083106
O=C(N1Cc2c(C1(C)C)nn(c2N)C(=O)C)OCc1ccccc1	SCHEMBL19530778	328.366	MCARJNRGQRLJFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083107
O=C(N1CCn2c1ncc2)Nc1ccc(cc1)OCC1CCCO1	EMOLS-id_318461115,MCULE-4609393103	328.366	WHGVMAFJIODNIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083108
O=CN(c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C)c1ccccc1	PC-id_141257316	328.366	PEQYCGDBUDLNJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083109
O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1n[nH]c2c1CCC2	ZINC22_1565515225	328.366	WOWHGZGTNROEFS-KBPBESRZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-083110
O=C(NN=Cc1cc(OC)c(OCC)cc1)c1n[nH]c2CCCc12	PC-id_4214961	328.366	SNDQEEMGNWAWTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083111
OC(=O)C(NC(=O)c1ccc(cc1)NCc1cnc2n1CCC2)C	EMOLS-id_316932735,MCULE-4459215157	328.366	FQYSXBXZBUYRLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083112
Cc1nc(S(=O)(=O)NC(=O)c2cc3n(n2)CCO3)sc1C	PC-id_136546749,MCULE-6930369734,ZINC22_408505652,EMOLS-id_112084316	328.367	ZUJOXJHLZXBMPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083113
s1c2CCCc2nc1NS(=O)(=O)c1cn(nc1)CC(=O)O	PC-id_61508608	328.367	SXOOTSKZNOQKLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083114
S(=O)(=O)(Nc1sc2CCCc2n1)c1c([nH]nc1C(=O)O)C	PC-id_64262254	328.367	RMBWFFHKIWFMFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083115
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cn(cn1)C	MCULE-1030157788,EMOLS-id_207863010	328.369	PTYPVTLTTWPMPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083116
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cncn1C	MCULE-3811962857,EMOLS-id_207863219	328.369	XFRQLHLFBDJMPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083117
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccnn1CC	EMOLS-id_207862935,MCULE-6674791019	328.369	WDRMQANYZXNHNI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-083118
c1(CN2CCN(C(=O)C2)c2ccnc(OC)c2)nnc2CCCn12	EMOLS-id_331169997,ZINC22_1888857168,MCULE-9805192049,PC-id_155974363	328.369	ZFEWOSNXVHMEQM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083119
c1(C(=O)N2CCN(CC2)c2cnn(c(=O)c2)C)c2CCCc2[nH]n1	CoCoCo_1265093,EMOLS-id_23812272,ZINC22_20599907,PC-id_29086708,MCULE-5521841358,CoCoCo_1265092	328.369	PTKCYIULKUAGRF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083120
c1(C(=O)NCC2(O)CCN(c3cnccn3)C2)c2CCCc2[nH]n1	BDE-33793799,MCULE-2184937269,EMOLS-id_48379112,PC-id_110123747	328.369	IKPMVMZHXYZYAI-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083121
c1(C(=O)NCC2(O)CCN(c3ncccn3)C2)c2CCCc2[nH]n1	MCULE-9516169373,PC-id_110123878,EMOLS-id_48379248,BDE-33794459	328.369	XYPLPQPLBIRBRM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083122
Cc1cc(N2CC[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2=O)n(C)n1	ZINC22_363958636	328.369	DWLCQTWBHPNBHQ-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083123
Cc1cc(N2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2=O)n(C)n1	ZINC22_363958647	328.369	DWLCQTWBHPNBHQ-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083124
Cc1nc(ccc1NC(=O)N1CCn2c1ncc2)N1CCOCC1	EMOLS-id_319779722	328.369	QEGFZYHQGMWDDZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083125
CC(C)(C)C(=O)Nc1nccnc1C(=O)N[C@H]1CCn2ccnc12	ZINC22_1468300706	328.369	SRRTZZPJXWOOKD-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-083126
CC(C)(C)C(=O)Nc1nccnc1C(=O)N[C@@H]1CCn2ccnc12	ZINC22_1468300707	328.369	SRRTZZPJXWOOKD-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083127
CC(NC(=O)C1CCc2n1c(CNC(=O)c1cccnc1)nn2)C	PC-id_118740608	328.369	CHUWLGUAHTZEEW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083128
CCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)Cc1ccccc1	PC-id_9901965,SCHEMBL2924751	328.369	RHDBXTDJEXLQIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083129
CC(=O)Nc1cc(NC(=O)NCc2nnc3n2CCC3)ccc1C	ZINC22_48370459,EMOLS-id_31982106,MCULE-6776514361,PC-id_51082381	328.369	WDBINTZFRFUBNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083130
CN1C(=O)C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1ccnn1C	MCULE-5891542752,EMOLS-id_316031278,ZINC22_284842081	328.369	OIJOHGJFYHERIB-IAQYHMDHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083131
Cn1ncc2c1CN(C(=O)Nc1ccc(N3CCOCC3)nc1)C2	PC-id_146144581,ZINC22_1875282366	328.369	ANZYQVKGZGURHA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083132
CNc1nccnc1C1CN(CCO1)C(=O)c1n[nH]c2CCCc12	MCULE-8246776356,EMOLS-id_43268201,BDE-33352422,PC-id_110119192	328.369	JCWXLYZNCABIOT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083133
CNc1nccnc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1	ZINC22_257248271	328.369	JCWXLYZNCABIOT-GFCCVEGCSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083134
CNc1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1	ZINC22_257248272	328.369	JCWXLYZNCABIOT-LBPRGKRZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083135
COc1ccnc(n1)N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	ZINC22_69323933,PC-id_53520933,MCULE-3792332387,EMOLS-id_36278229	328.369	LLRSKMMFSURPFQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083136
O1CCN(CC1)c1ncc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_37337430	328.369	PIQKYMYOBSXKJK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083137
O=C1C(CCN1c1cc(nn1C)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316076508,MCULE-1813719643	328.369	DWLCQTWBHPNBHQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083138
O=C1CC(CN1c1cnn(c1)C)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_318792538	328.369	ZCVYLVXPCVJAJG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083139
OC1CN(CCN(C1)c1cnccn1)C(=O)c1n[nH]c2c1CCC2	PC-id_74230585,EMOLS-id_49639930,MCULE-4189927194	328.369	LRURTESFYKQFJZ-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-083140
O=C(c1ccnc(n1)N1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318778733	328.369	GDXGEBSTIUFYLS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083141
O=C(c1ccnc(n1)N1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319382622	328.369	YCPXOKSBTVNDEK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083142
O=C(c1cnc2n1CCC2)NCC1(CCC1)NC(=O)c1ccn[nH]1	PC-id_146095822,MCULE-5009466771,EMOLS-id_324031804	328.369	ANRQZJGTSBSMKF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-083143
O=C(C1NCc2c1c[nH]n2)Nc1ccc(nc1C)N1CCOCC1	EMOLS-id_320096107,MCULE-6072565632	328.369	GNSRNABGHUZUEM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083144
O=C(c1ncnc(c1)N1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318838962	328.369	COEBCFPIMNEPBC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083145
O=C(c1n[nH]c2c1CCC2)NC1CCCN(C1)c1ncc[nH]c1=O	EMOLS-id_316017092,MCULE-9340889807	328.369	QZOAAPXEZKVJSO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083146
O=C(C(C)(C)C)Nc1nccnc1C(=O)NC1CCn2c1ncc2	EMOLS-id_316533601,MCULE-2475032194	328.369	SRRTZZPJXWOOKD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083147
O[C@H]1CN(CCN(C1)c1cnccn1)C(=O)c1n[nH]c2c1CCC2	PC-id_97827617	328.369	LRURTESFYKQFJZ-LLVKDONJSA-N	00000010100000100101100010000000000000000000000000000000	25-01-083148
O[C@@H]1CN(CCN(C1)c1cnccn1)C(=O)c1n[nH]c2c1CCC2	PC-id_97827618	328.369	LRURTESFYKQFJZ-NSHDSACASA-N	00000010100000100101100010000000000000000000000000000000	25-01-083149
O=C(N1CCn2c1ncc2)Nc1cccc(n1)CN1CCOCC1	MCULE-3155981751,EMOLS-id_320332063	328.369	ZEEHXWKZVNADNO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-083150
Clc1nccc(S(=O)(=O)NCc2sc3c(CCC3)c2)c1	PC-id_61216201	328.838	ZXDYIBZZZSGWCN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083713
O=C(NCc1nnc2n1CCC2)c1cccnc1N1CCOCC1	MCULE-7179092326,PC-id_37337426,ZINC22_30033381,EMOLS-id_35693177	328.369	XDFJNYLDPIPBBT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083151
O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1n[nH]c2c1CCC2	ZINC22_257244263	328.369	IKPMVMZHXYZYAI-INIZCTEOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083152
O=C(NC[C@]1(O)CCN(c2cnccn2)C1)c1n[nH]c2c1CCC2	ZINC22_257244264	328.369	IKPMVMZHXYZYAI-MRXNPFEDSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083153
O=C(NC[C@@]1(O)CCN(c2ncccn2)C1)c1n[nH]c2c1CCC2	ZINC22_257332781	328.369	XYPLPQPLBIRBRM-INIZCTEOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083154
O=C(NC[C@]1(O)CCN(c2ncccn2)C1)c1n[nH]c2c1CCC2	ZINC22_257332782	328.369	XYPLPQPLBIRBRM-MRXNPFEDSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083155
O=C(NCc1nnc2n1CCC2)N1CCN(c2cnccn2)CC1	EMOLS-id_45743141,MCULE-6865035971,ZINC22_55079041,PC-id_71899814	328.372	FXNAQLZTRXMRRT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083156
O=C(NCc1nnc2n1CCC2)N1CCN(c2ncccn2)CC1	PC-id_53506120,ZINC22_55077637,MCULE-5103271067,EMOLS-id_35690234	328.372	OPMLBIFILRURHN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083157
O=C(c1occ2c1CCC2)N1CCC(CC1)(F)Cc1ccccn1	EMOLS-id_319572628	328.381	HRWWRCFNSQHSSD-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-083158
COc1ccc(cc1S(=O)(=O)Nc1sc2c(n1)CCC2)F	EMOLS-id_318539462	328.382	RDEVHTOTUMOJFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083159
COc1cc(F)ccc1S(=O)(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318613910	328.382	NVCQDQGKGNCWAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083160
OCc1cc(ccc1F)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977985	328.382	YGEMIRAPIDNFHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083161
OCc1ccc(c(c1)F)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978057	328.382	KXPJTJHASMNFEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083162
OCc1ccc(cc1S(=O)(=O)Nc1sc2c(n1)CCC2)F	PC-id_105978009	328.382	FPPARGGIJVAXRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083163
OCc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)F	PC-id_105978017	328.382	IIWGNKKTCGZQDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083164
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)Nc1cccc(F)c1	CHEMBL1352953,MCULE-6494146761,ChEMBL-DNDi_CHEMBL1352953,PC-id_24816929,EMOLS-id_20565977	328.384	OPJYQDZHUSQEIK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083165
c1(C(=O)N2CCCN(c3ccc(cc3)F)CC2)c2CCCc2[nH]n1	PC-id_77083758,MCULE-4874998155,ZINC22_215371596,EMOLS-id_49875520	328.384	UQBRNHHDHMRJFF-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-083166
c1(C(=O)N2CCN(CC2)c2ccccc2F)c2CCCc2n(C)n1	MCULE-8033698441,PC-id_110389041,EMOLS-id_179745187	328.384	AVFIBEGAPHAINF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083167
c1(C(=O)N2CCN(CC2)c2ccc(cc2)F)c2CCCc2n(C)n1	PC-id_110389026,EMOLS-id_179745142,MCULE-5819701026	328.384	XZUJQIUOJQMNAD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083168
c1(sc2c(CCC2)c1C(=O)OC)NC(=O)N(CCO)CCO	PC-id_8070392,EMOLS-id_4744611,MCULE-5651720614,ZINC22_6757541,STOCK6S-13351	328.384	PJJYAJGPUMULRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083169
CC1CN(CCN1c1ccncc1F)C(=O)c1[nH]c2c(c1)CCC2	MCULE-2256245018,EMOLS-id_320107624	328.384	OLDOIVYHDIWIIQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083170
CN(Cc1nnc2n1CCC2)C(=O)C1(c2ccc(F)cc2)CCC1	MCULE-1678303307,EMOLS-id_35706606,ZINC22_48340701,PC-id_53498589	328.384	VHGNQBKRTIRLEY-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-083171
Fc1cccc(c1)C1(CCC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318257781	328.384	MSBQCUYAJQKYSW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-083172
Fc1ccc(cc1)C1(CCCC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318453615	328.384	NFQMUGPPZHOKEI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083173
Fc1ccc(cc1)C1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436579	328.384	VBNFCNZTTBQIPU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083174
Fc1cccc(c1)C1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436696	328.384	AMVJDTWFVIHPKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083175
Fc1cccc(c1)C1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101415618	328.384	MGOJRJGVYGQGQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083176
Fc1ccc(cc1)C1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418663	328.384	DYBCRXDCGRIRGZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083177
Fc1ccc(cc1)[C@@H]1CCNC[C@@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_319621349	328.384	GNDDAQRTICGQFN-HOCLYGCPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083178
Fc1ccc(cc1)CN(C(=O)NC1CC(n2c1ncc2)C)C1CC1	EMOLS-id_318672385	328.384	KXWWHHHBYWIQME-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-083179
Fc1ccccc1C(=O)N1CCC(CC1)NC1CCn2c1ncc2	MCULE-3245345876,EMOLS-id_318714691	328.384	LDCLFHIOHKPTQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083180
Fc1ccc(cc1)N1CCC(C1=O)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318173531,MCULE-1414604343	328.384	ULSFLACNEMZLKQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083181
O=C1C(CCCN1c1ccccc1F)NC1CC(n2c1ncc2)C	MCULE-4364802352,EMOLS-id_318362428	328.384	OBOLPSCBDSKCCV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083182
O=C1C(CCCN1c1ccccc1F)NCc1cnc2n1CCC2	EMOLS-id_318173541,MCULE-8450936341	328.384	KFLFGSKXMTWUFU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083183
O=C1C(CCN1c1ccccc1F)NC(c1nn2c(c1)CCC2)C	MCULE-2068358878,EMOLS-id_318028691	328.384	PSLRVKBIQDUNSO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083184
O=C1CC(CN1c1ccccc1F)NC(c1nn2c(c1)CCC2)C	MCULE-5495964840,EMOLS-id_318017321	328.384	FSUMOWRZJHVVHJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083185
O=C1CCCN1c1ccc(c(c1)NC(c1nn2c(c1)CCC2)C)F	EMOLS-id_318524400,MCULE-5536434830	328.384	LLCWHXWYSIKXSO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083186
O=C(C1(CCC1)c1ccccc1F)NC(c1nnc2n1CCC2)C	EMOLS-id_318390171	328.384	KGXUZRUUJHYEEF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-083187
O=C(c1ccc(c(c1)F)N1CCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_98722179	328.384	XGPQKIDPZADMOK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083188
O=C(c1cn2c(n1)CCC2)N1CCC(CC1)(F)Cc1ccccn1	EMOLS-id_320049094,MCULE-5908726111	328.384	DOTQNVWEFFSGHP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-083189
O=C(c1cnc2n1CCC2)N1CCC(CC1)(F)Cc1ccccn1	EMOLS-id_319779172	328.384	UDAMSRJBVNGBCX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-083190
O=C(c1cnn2c1CCC2)N1CCC(CC1)(F)Cc1ccccn1	EMOLS-id_318850468	328.384	KPCAHRDGPYMPJW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-083191
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)Cc1ccccc1F	EMOLS-id_319163288	328.384	AKNIRSIQZCBRRI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083192
O=C(c1[nH]nc2c1CCC2)N1CCC[C@@H](Nc2cccc(F)c2)C1	PC-id_42527521,CoCoCo_1367137,CoCoCo_1367135,ZINC22_12315500	328.384	OPJYQDZHUSQEIK-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083193
O=C(c1[nH]nc2c1CCC2)N1CCC[C@H](Nc2cccc(F)c2)C1	PC-id_42527522,CoCoCo_1367134,ZINC22_12315501,CoCoCo_1367136	328.384	OPJYQDZHUSQEIK-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083194
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)(F)Cc1ccccn1	EMOLS-id_319444241	328.384	FAXLWFNDGVJCLA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-083195
O=C(c1n[nH]c2c1CCC2)NCC1CCN1Cc1ccccc1F	MCULE-1723854493,PC-id_145900160,EMOLS-id_320371358	328.384	GYLZOSBXJOTDKA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-083196
O=C(N1CCC(C1)c1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_101415621	328.384	QQXZKRLBBKTNJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083197
O=C(N(C1CC1)Cc1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_318648405	328.384	ZFSIGXJSPTYUQJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-083198
O=C(NCc1nnc2n1CCC2)C1(c2cccc(F)c2)CCCC1	PC-id_45807605,MCULE-9669316523,ZINC22_40494207,EMOLS-id_30003024,CoCoCo_4703309	328.384	UCCOJPHCLRIPPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083199
s1c2c(CCC2)c(c1NC(=O)CN(CCO)CCO)C(=O)O	PC-id_28866092	328.384	ODIBMXNGSDUTLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083200
c12nc(SC(C)C(=O)c3ccc(OC)cc3)[nH]c1C(=CC2=O)C	MCULE-3071028878,Chemmine_59934,PC-id_3460934	328.386	DRYLOMHRPLSLSF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-083201
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C#N	EMOLS-id_1493993,ZINC22_54243,BAS-07127445,PC-id_686671,CoCoCo_362475,ChEMBL-DNDi_CHEMBL7752451,MCULE-7365703429	328.386	MVXYSZHPBXAOFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083202
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCC2)c1C#N	PC-id_4685255,EMOLS-id_4010047,MCULE-8428823991,SPECS-id_AP-970/40729727,CoCoCo_6348495,ZINC22_1514812,SPECS-id_AN-153/I255605	328.386	IGQSGVQDKBRPPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083203
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	BAS-04435878,MCULE-1734574358,ZINC22_249153,EMOLS-id_1452968,CK1465253,SPECS-id_AP-970/12056135,CoCoCo_322423,PC-id_768953	328.386	RAFZMHICBCRXGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083204
c1(NC(=O)c2cccc(OC)c2OC)sc2c(CCC2)c1C#N	EMOLS-id_12369051,CoCoCo_1070873,MCULE-9453786187,TIMTEC75258,ZINC22_5169383,PC-id_7532978	328.386	BHPWVSMNZDWAFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083205
c1(NC(=O)C=Cc2ccc(cc2)C(=O)OC)sc2c(CCC2)n1	MCULE-4107317800	328.386	JRJZSAHUNVHYNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083206
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C#N	ZINC22_2996868,CoCoCo_356040,ChEMBL-DNDi_CHEMBL6947466,BAS-06848402,MCULE-6129724217,EMOLS-id_1487162,SPECS-id_AN-153/I224146,PC-id_2293560,SPECS-id_AG-205/08190031	328.386	NNLRXMJQQNKZFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083207
Cc1ccc(cc1)C(=O)C(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-4655890294,EMOLS-id_36262637,PC-id_37169365	328.386	WTYBVTVAMFTYPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083208
CC(Oc1ccc(O)cc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2547210145,EMOLS-id_327750128	328.386	DRVUEKIPNLHOLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083209
COc1ccccc1OCC(=O)Nc1sc2CCCc2c1C#N	MCULE-9157066462,EMOLS-id_322626116	328.386	KYJBQOITUPXWAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083210
COc1cccc(OCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-4432251507,EMOLS-id_328045479	328.386	BZRJLFZTDVUGKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083211
COc1ccc(C(=O)[C@H](C)Sc2nc3c([nH]2)C(=O)C=C3C)cc1	PC-id_92297137,ZINC22_6419723	328.386	DRYLOMHRPLSLSF-JTQLQIEISA-N	00000011100000110001000010000000000000000000000000000000	25-01-083212
COc1ccc(C(=O)[C@@H](C)Sc2nc3c([nH]2)C(=O)C=C3C)cc1	ZINC22_6419724,PC-id_92297138	328.386	DRYLOMHRPLSLSF-SNVBAGLBSA-N	00000011100000110001000010000000000000000000000000000000	25-01-083213
COc1ccc(OC)c(c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2770636892,EMOLS-id_327911498,PC-id_16848723	328.386	SYJKRJKVAFLVNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083214
COc1cc(C(=O)Nc2c(C#N)c3c(CCC3)s2)cc(OC)c1	MCULE-9863511066,ZINC22_803472,SPECS-id_AE-848/09436016,BAS-06848367,CoCoCo_356034,PC-id_1086013,EMOLS-id_1487152,SPECS-id_AN-153/I226312	328.386	UHUVYCAOCQRXOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083215
COC(=O)c1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_334659800	328.386	JRJZSAHUNVHYNS-JXMROGBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083216
N#CC1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)CC	PC-id_23333147,SCHEMBL11442353	328.386	RTVLRLANIIRXJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083217
N#CC1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)CC	SCHEMBL11437127,PC-id_70585845	328.386	BEBHSPKYQKJZAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083218
N#CC1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)CC	SCHEMBL11437849,PC-id_23333058	328.386	KYVDBVZXDNQZJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083219
O=C(Nc1cccc(N2CCOC2=O)c1)c1cc2c(s1)CCC2	MCULE-6561458099,CoCoCo_4822982,ZINC22_32816833,EMOLS-id_24976641,PC-id_40051658	328.386	IWXMAVAQNMMRCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083220
s1c2CCCc2cc1C(=O)NN=Cc1c(cccc1)C(=O)OC	PC-id_84958176	328.386	MAMIOAXBZISBOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083221
s1c2CCCc2cc1C(=O)NN=Cc1ccc(cc1)C(=O)OC	PC-id_85015568	328.386	KLYRXRMPLCGTGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083222
CC(C)S(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959808	328.387	GGIOCWZAPSNWNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083223
CCCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959809	328.387	FMQUQZQKEUAIOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083224
CCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959927	328.387	GUUOBDOBWQESAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083225
CN1CCCN(CC1)C(=O)c1oc2c(n1)CN(C2)S(=O)(=O)C	PC-id_97525821	328.387	HHHDKPPGXOXUDE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-083226
CN(C1CCCC1)S(=O)(=O)N1Cc2c(C1C(=O)OC)cn[nH]2	PC-id_136573514,MCULE-7577023010,EMOLS-id_317002017	328.387	JLMXELMWQYIKQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083227
COCCN1CCN(CC1=O)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100207030	328.387	YSHLXQLMOJZBHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083228
COCC(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184337	328.387	OMDSWHHGLHGBQU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083229
COC(=O)C1c2cn(nc2CN1S(=O)(=O)N1CCCCC1)C	MCULE-9942416784,EMOLS-id_316294075	328.387	MBABIPAQGJKKIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083230
COC(=O)[C@H]1c2cn(C)nc2CN1S(=O)(=O)N1CCCCC1	ZINC22_1775992632	328.387	MBABIPAQGJKKIA-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083231
COC(=O)[C@@H]1c2cn(C)nc2CN1S(=O)(=O)N1CCCCC1	ZINC22_1775992635	328.387	MBABIPAQGJKKIA-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083232
COC(=O)[C@H]1c2c[nH]nc2CN1S(=O)(=O)N(C)C1CCCC1	ZINC22_1775985385	328.387	JLMXELMWQYIKQB-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083233
COC(=O)[C@@H]1c2c[nH]nc2CN1S(=O)(=O)N(C)C1CCCC1	ZINC22_1775985386	328.387	JLMXELMWQYIKQB-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083234
O=C(c1cc2n(n1)CCO2)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_99549845	328.387	NDSFVKJVGVSRAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083235
O=C(c1oc2c(n1)CN(C2)S(=O)(=O)C)NCCN1CCCC1	PC-id_97525816	328.387	FMNBIYLYEDEICZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083236
O=C(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C(O)C	EMOLS-id_100224154	328.387	DDVWRUGSEVIBMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083237
S1Cc2c(nn(c2NC(=O)COC)CC(=O)NCCOC)C1	PC-id_44052942	328.387	FLVDTOXNPSYEOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083238
S1Cc2c(nn(c2NC(=O)OCC)CC(=O)NCCOC)C1	PC-id_44053052	328.387	DOXGJZZFTCOTLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083239
c1(OC)ncc(CCC(=O)Nc2sc3CCCc3c2C#N)cn1	EMOLS-id_328085456,MCULE-6997466281	328.389	ABIMESHDQVDBKD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083240
Cc1ccc(o1)c1scc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319660345	328.389	NYDXCLHFXJGVLD-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-083241
Cc1sc(c2ccco2)nc1C(=O)Nc1c2c(nn1C)CCC2	MCULE-5507745297,ZINC22_65855953,PC-id_71936285,EMOLS-id_44503810	328.389	NUAOVLIAVNSDIN-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-083242
CCCn1c(=O)ccc(C(=O)Nc2c(C#N)c3c(CCC3)s2)n1	ZINC22_69610742,MCULE-8310688489,EMOLS-id_44490906,PC-id_71944739	328.389	AYLFZXIRXMRMKL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083243
Cn1ccc(n1)c1scc(n1)CNC(=O)c1occ2c1CCC2	MCULE-7672909651,EMOLS-id_320089953	328.389	GMONOVPCEZVUCC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083244
COc1ccc(c2nnc(NCc3nc4c(s3)CCC4)o2)cc1	MCULE-5410863464,EMOLS-id_49944056,PC-id_86793876,ZINC22_161913482	328.389	CEPANYPKBMGDJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083245
N#Cc1cc(C)c([nH]c1=O)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_318891787	328.389	IMDFXXHFDUGUDX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083246
O=C(c1c(C)onc1c1cccs1)NCc1cnc2n1CCC2	EMOLS-id_319003491	328.389	LYOWRAPLPCZGTD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-083247
O=C(c1c(C)onc1c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_319476856	328.389	VMWRDPVMUNPPHD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-083248
O=C(c1nc(oc1C)c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_319585986	328.389	OURLTDQDSUSXJU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-083249
O=C(c1nc(sc1C)c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319328559	328.389	ZZCDHZDWMLDSEY-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-083250
O=C(Cc1coc(n1)c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_318807652	328.389	UBHWHPKSOIHSMT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-083251
O=C(Cc1csc(n1)c1cocc1)NCc1n[nH]c2c1CCC2	MCULE-1615330173,EMOLS-id_320141560	328.389	GDGGMJQSHNJZEP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-083252
O=C(Nc1nc2c(s1)CCC2)c1cccc(N2CCNC2=O)c1	EMOLS-id_33306593,MCULE-1767199111,PC-id_51080560,ZINC22_45882312	328.389	GMSAHYHRQXBQRQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083253
O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1cnccn1	EMOLS-id_45644599,PC-id_71934993,MCULE-9345928463,ZINC22_65067751	328.389	CGJKEHZXGGNYIC-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-083254
s1c2CCCc2c(c1NC(=O)Cn1c(nc(cc1=O)C)C)C#N	PC-id_7748959	328.389	OTHJTPPFISNTFM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083255
c1(C(=O)NCc2cn3c(SCC3)n2)[nH]nc(c2cccn2C)c1	PC-id_70757035,EMOLS-id_44729984,ZINC22_91745769,MCULE-5302865380	328.392	XROMXABMYHQCCX-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-083256
c1(NC(=O)c2cnn(C)c2n2cccc2)n(C)nc2CSCc12	MCULE-3798267208,PC-id_52899194,ZINC22_61718931,STOCK7S-13192,EMOLS-id_35785296	328.392	BIMYPXZZQGBKNS-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-083257
Cc1ccc(c2cc(C(=O)NCc3nnc4n3CCC4)[nH]n2)s1	EMOLS-id_31887636,EMOLS-id_32385268,PC-id_31821555,MCULE-4053232651,ZINC22_24444615	328.392	LPBLBPRNNBFNSN-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-083258
Cn1ccc(n1)c1scc(n1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_318991910	328.392	PXAHCCMQRWKGGC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083259
Cn1ccc(n1)c1scc(n1)CNC(=O)c1cnc2n1CCC2	MCULE-3470766633,EMOLS-id_320164059	328.392	ASJTUTFRCZULGC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083260
Cn1ncc(c1)c1ncc(s1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98991299	328.392	CKWCVXKOQKHSCK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083261
Cn1ncc(c1)c1ncc(s1)C(=O)NCc1cnc2n1CCC2	MCULE-5211076969,EMOLS-id_319951826	328.392	PZLLBFVIPPNDSY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083262
Cn1ncc(c1)c1scc(n1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98810287	328.392	VYEBMQVFBJFLOY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083263
Cn1ncc(c1)c1scc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319050363	328.392	HLOWTTSPRJOLNA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083264
O=C(c1nnn(c1)Cc1cccs1)NCc1cnc2n1CCC2	EMOLS-id_318917174	328.392	GFBGOPQHDQXPLF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083265
Cc1cnc(nc1c1ncnn1C)NCc1cn2c(n1)SCC2	CoCoCo_1419891,CoCoCo_1419887,CoCoCo_1419890,CoCoCo_1419888,CoCoCo_1419893,PC-id_31053522,CoCoCo_1419895,CoCoCo_1419892,CoCoCo_1419889,CoCoCo_1419894	328.395	KGCSWDGJTQWILD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083266
c1(NC(=O)CCCc2ccc(cc2)F)sc2c(CCC2)c1C#N	EMOLS-id_322819112,MCULE-7188108874	328.404	BQOVOSCCSCNYPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083267
CC(C)(C(=O)Nc1sc2CCCc2c1C#N)c1ccccc1F	EMOLS-id_328178120,MCULE-5450601954	328.404	KWDYTYMQWCFHGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083268
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC(C)C	EMOLS-id_330971826,MCULE-6389958021	328.405	UARQFDSLGXNQQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083269
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)OCCC	MCULE-7359603050,EMOLS-id_330972338	328.405	MBQKPVWNHYCGOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083270
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1c(OC)cc(c(C)c1)C	EMOLS-id_330971062,MCULE-8676771564	328.405	TVFIZPNPBPQUNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083271
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2C)OCC)n1	EMOLS-id_330993652,MCULE-9482910991	328.405	JWUCLTGYXDYIQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083272
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)OC(C)C)n1	MCULE-3113751934,EMOLS-id_330991093	328.405	XEVQKCMXTVUDPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083273
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)OCCC)n1	MCULE-6017923932,EMOLS-id_330990837	328.405	AWNWFNLPQGMCKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083274
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(C)c2C)OC)n1	EMOLS-id_330990325,MCULE-4854362893	328.405	PWNDEQHPKCTYNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083275
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(C)c2)OCC)n1	MCULE-1883842275,EMOLS-id_330991605	328.405	SBPGZAHXNULUBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083276
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(C)cc(c(C)c2)OC)n1	EMOLS-id_330990581,MCULE-9791422399	328.405	CNISTZHOFBTSAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083277
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)c(c(C)c2)OC)n1	MCULE-9025483182,EMOLS-id_330991349	328.405	GDSJHGHIVWKWAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083278
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1C)OCC	EMOLS-id_330975408,MCULE-8326899051	328.405	PLMONXYVUHYKLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083279
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)OCCC	EMOLS-id_330976688,MCULE-9091468019	328.405	YVHDDTFDICKHCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083280
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)OC(C)C	EMOLS-id_330976944,MCULE-2428197898	328.405	WRZONEHJVMBAJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083281
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(C)c1C)OC	EMOLS-id_330976176,MCULE-1529585751	328.405	XUHRLGNHZGHGDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083282
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)OCC	MCULE-2724031603,EMOLS-id_330973361	328.405	VXDLOEUYFHWPCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083283
c1(C(=O)OC)c2C(C)CCc2nn1Cc1c(C)cc(c(C)c1)OC	EMOLS-id_330976432,MCULE-5406040776	328.405	QGLQZSXLVYTRRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083284
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)c(c(C)c1)OC	MCULE-3153643716,EMOLS-id_330977200	328.405	QRELJVMDLBOWJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083285
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1C)OC	MCULE-9963761062,EMOLS-id_330974648	328.405	QOMXUHOJEDLZKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083286
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OCC	MCULE-6397891259,EMOLS-id_330975928	328.405	ADMHLPMMIRHLNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083287
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)OC	MCULE-5218642988,EMOLS-id_330974392	328.405	VHPRIEFKZQMLPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083288
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(OCC)c1	MCULE-7284755121,EMOLS-id_330977210	328.405	SRLLZZUBUOSKNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083289
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2COC)n1	EMOLS-id_330998001,MCULE-5180088657	328.405	SJDOPTDWKNUADO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083290
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)OCC)n1	EMOLS-id_330994427,MCULE-1860492176	328.405	FITXBAHROCNDCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083291
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2OCC)n1	MCULE-5060250037,EMOLS-id_330995964	328.405	XDYQIZZQTLMQKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083292
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)ccc2OC)n1	EMOLS-id_330996220,MCULE-2340061913	328.405	VPFJVGJIKFNMCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083293
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(C)c2)OC)n1	MCULE-7262848744,EMOLS-id_330995448	328.405	XOBAXNDSXDPYNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083294
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(OC)c2)C)n1	EMOLS-id_330996986,MCULE-7948705469	328.405	RYMPBEXYGNNIQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083295
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(OC)c2C)n1	EMOLS-id_331001584,MCULE-8451428842	328.405	OLZHWJZNPCFHPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083296
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(OC)ccc2C)n1	EMOLS-id_331001840,MCULE-8069107429	328.405	HFLNQZVZBNOISX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083297
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1COC	MCULE-7645841801,EMOLS-id_330978748	328.405	RETVCICBBQNJFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083298
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1OCC	MCULE-4871730463,EMOLS-id_330980791	328.405	LQUDQUZEPRFHIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083299
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)OCC	MCULE-7703261714,EMOLS-id_330979254	328.405	BLTNENJXCVGZNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083300
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)OC	EMOLS-id_330980275,MCULE-3967979003	328.405	HXSKWFSSHBCHQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083301
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)ccc1OC	MCULE-6409487228,EMOLS-id_330981047	328.405	NRFMRAFTACBQSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083302
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)C	EMOLS-id_330977718,MCULE-4294593603	328.405	BXPNPGLOPLZKDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083303
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(OC)c1C	EMOLS-id_330978236,MCULE-8010929422	328.405	PXYVOHUGZVTNLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083304
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(OC)ccc1C	EMOLS-id_330978492,MCULE-3916148824	328.405	UDVUVGWSBPLEHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083305
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC	EMOLS-id_330978238,MCULE-5970950738	328.405	GDMYLTDEKPKDDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083306
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccccc1OC	MCULE-1350838604,EMOLS-id_330982066	328.405	KNXQDOZEDJZDRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083307
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(OC)c1	MCULE-6839751942,EMOLS-id_330985136	328.405	ZMGFZXMJTJGRGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083308
CCC1(CCn2c1cc(c2C(=O)c1ccc([nH]1)C(C)C)C)C(=O)O	PC-id_70410622,SCHEMBL10642326	328.405	IOKRYAZZNBCHLE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-083309
CC(C)CCOC(=O)C1CCn2c1ccc2C(=O)c1cccn1C	PC-id_86735805	328.405	PYYQOSHGBVYMOH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-083310
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc([nH]1)C(C)C)C	PC-id_70410185,SCHEMBL10640399	328.405	MDWQZHFHRNNPFM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-083311
COC(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)OC	EMOLS-id_328214640,MCULE-2813508897	328.405	NFUSGINIFQXMKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083312
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CCO)CCO	MCULE-3529480079,EMOLS-id_328335514	328.405	YJBCAKHTMHBPSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083313
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCOCCO	MCULE-6349858787,EMOLS-id_328214646	328.405	QPYARUZBTQLBKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083314
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(CO)O	MCULE-9737426502,EMOLS-id_186631096	328.407	OMSOPFXCSQIJKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083315
OCc1c(C)oc(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_105978043	328.407	QVRCTAISUCAHDM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-083316
O=C(c1sc2c(c1)CS(=O)(=O)C2)NC(=O)C1CCNCC1	PC-id_20882720,CoCoCo_2175345	328.407	XDXZHUBCIJIDQN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-083317
O=S1CCN(CC1)CCc1c(C(=O)O)s(=O)c2c1[nH]cc2	PC-id_140523887	328.407	OGJVELIVNFPNSH-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-083318
s1c2c(CCC2)c(c1NC(=O)CCSCC(=O)N)C(=O)O	PC-id_43172358	328.407	ZEKJPRCBGWNHIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083319
s1c2c(CCC2)c(c1NS(=O)(=O)CCCC(=O)OC)C#N	PC-id_61460113	328.407	OUOWIETVTSSDQH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083320
c12CN(Cc1nn(CC)c2CN(C)C)C(=O)OCc1ccccc1	MCULE-4784762896,EMOLS-id_324350312	328.409	JMQOEZGXFRKXNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083321
c12CN(Cc1nn(CCC)c2CNC)C(=O)OCc1ccccc1	MCULE-4458550452,EMOLS-id_324351332	328.409	ODGFZESQGSRHFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083322
c12CN(Cc1nn(CC(C)C)c2CN)C(=O)OCc1ccccc1	MCULE-9865970248,EMOLS-id_324352352	328.409	JBXUTGNWFPNHGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083323
c1(ccc(n(C)c1=O)C(C)C)C(=O)N(C)Cc1c2CCCc2[nH]n1	PC-id_118786925,ZINC22_299794067,MCULE-6628248260,EMOLS-id_68923918	328.409	IAEPNRFJFJYTPK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083324
c1(CN(C2CCCC2)C(=O)c2cc(C)on2)c2CCCc2n(C)n1	MCULE-4637282650,EMOLS-id_50145350,PC-id_86266591	328.409	HFJUUVHLXQGXNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083325
c1(CN(C)CC(=O)NCc2ccccc2OC)c2CCCc2[nH]n1	PC-id_91841983,EMOLS-id_55696711,ZINC22_244700923,MCULE-1925229457	328.409	JWIYMAXWBPHVOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083326
c1(C(=O)NCC2CCCN(Cc3ccco3)C2)c2CCCc2[nH]n1	EMOLS-id_36456629,MCULE-4181093095,PC-id_56718112	328.409	INZUQLXYBYFCKC-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083327
c1(C(=O)N(CCCC)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-1283284128,EMOLS-id_316328240	328.409	VLRCFRRTWFYNAH-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083328
c1(C(=O)N(CCCC)CC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-8206858363	328.409	VLRCFRRTWFYNAH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083329
c1(C(=O)NCCN(CC)c2ccccc2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_317426784,MCULE-5821931346	328.409	QVOUQSNZOXFBTG-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083330
CC1CC1c1ccc(o1)CCC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_35706576,PC-id_53503672,MCULE-2024818926	328.409	CZIHUPQRMFGPJR-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083331
Cc1ccc(c(c1)OC1COCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_319159982	328.409	OALYVMVPYIJTQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083332
Cc1ccccc1OCCCC(=O)N[C@@H](C)c1nnc2n1CCC2	CoCoCo_4879944,PC-id_93615689,ZINC22_40522754	328.409	FIEXERLENAAJOQ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083333
Cc1ccccc1OCCCC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_93615690,CoCoCo_4879943,ZINC22_40522757	328.409	FIEXERLENAAJOQ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083334
Cc1ccc(c(c1)OCC(=O)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_318168591	328.409	RJTVKOWJHMGFLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083335
Cc1cccc(OCCCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1	ZINC22_44896698,PC-id_94018274	328.409	CCXYUUIBXDFHMT-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083336
Cc1cccc(OCCCC(=O)N[C@H](C)c2nnc3n2CCC3)c1	ZINC22_44896700,PC-id_94018275	328.409	CCXYUUIBXDFHMT-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083337
Cc1cccc(OCCC(=O)N[C@H](C)c2nnc3n2CCC3)c1C	CoCoCo_4879948,PC-id_93615694,ZINC22_40522769	328.409	UKPSORLEUPRQSC-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083338
Cc1cccc(OCCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1C	ZINC22_40522766,PC-id_93615693,CoCoCo_4879947	328.409	UKPSORLEUPRQSC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083339
Cc1cc(C)c(OCC(=O)N(C)Cc2nnc3n2CCC3)c(C)c1	PC-id_53498847,ZINC22_48344815,MCULE-8695489538,EMOLS-id_35706492	328.409	AGVCLRPYHGLRJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083340
Cc1ccc(C(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)o1	PC-id_97519214,ZINC22_96259125,EMOLS-id_44369798	328.409	GDPMHHJPAIUQSL-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083341
Cc1ccc(OCCCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1	PC-id_93615671,ZINC22_40522697,CoCoCo_4879920	328.409	KKJHUTWPBCMLJX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083342
Cc1ccc(OCCCC(=O)N[C@H](C)c2nnc3n2CCC3)cc1	PC-id_93615672,CoCoCo_4879921,ZINC22_40522701	328.409	KKJHUTWPBCMLJX-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083343
Cc1ccoc1C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	CHEMBL3550850,PC-id_97405331	328.409	NJPDUSRSZZAKLA-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083344
CC(C)c1ccc(OCCC(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_33315775,ZINC22_58407105,PC-id_51095347,MCULE-4399703455	328.409	BYPRDVPERDEGEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083345
CC(C)COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)c1	CoCoCo_4879924,PC-id_93615675,ZINC22_40522711	328.409	ZPWBUNRVAZLNIE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083346
CC(C)COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCC3)c1	ZINC22_40522714,PC-id_93615676,CoCoCo_4879925	328.409	ZPWBUNRVAZLNIE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083347
CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)[C@H]1CCOC1)C2	ZINC22_1565556833	328.409	ZGSPRSYGSNLXQF-AWEZNQCLSA-N	00000010110000000001000010000000000000000000000000000000	25-01-083348
CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)[C@@H]1CCOC1)C2	ZINC22_1614941005	328.409	ZGSPRSYGSNLXQF-CQSZACIVSA-N	00000010110000000001000010000000000000000000000000000000	25-01-083349
CC(C)n1nc(Cn2cccc2)c2CN(Cc12)C(=O)C1CCOC1	EMOLS-id_313735889	328.409	ZGSPRSYGSNLXQF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-083350
CC(COc1cccc(c1)C(=O)NC(c1nnc2n1CCC2)C)C	MCULE-7946182561,EMOLS-id_31936126,PC-id_45819110	328.409	ZPWBUNRVAZLNIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083351
CCC(OCc1ccccc1NC(=O)N1CCn2c1ncc2)(C)C	EMOLS-id_319504037	328.409	JUJPWHAAHLTPQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083352
C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2nnc3n2CCC3)o1	PC-id_93906031,ZINC22_42749717	328.409	CZIHUPQRMFGPJR-GXTWGEPZSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083353
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_42749714,PC-id_93906028	328.409	CZIHUPQRMFGPJR-OCCSQVGLSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083354
C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_42749715,PC-id_93906029	328.409	CZIHUPQRMFGPJR-JSGCOSHPSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083355
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2nnc3n2CCC3)o1	ZINC22_42749716,PC-id_93906030	328.409	CZIHUPQRMFGPJR-TZMCWYRMSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083356
C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)c1nnc2n1CCC2	PC-id_94024429,ZINC22_44934541	328.409	ROTTUMIUKRQUIN-MBNYWOFBSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083357
C[C@H](NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1)c1nnc2n1CCC2	ZINC22_44934534,PC-id_94024427	328.409	ROTTUMIUKRQUIN-DYEKYZERSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083358
C[C@H](NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)c1nnc2n1CCC2	ZINC22_44934537,PC-id_94024428	328.409	ROTTUMIUKRQUIN-OBJOEFQTSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083359
C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)c1nnc2n1CCC2	ZINC22_44934545,PC-id_94024430	328.409	ROTTUMIUKRQUIN-SGMGOOAPSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083360
CCOC1CC(C1Oc1ccccc1)NC1CC(n2c1ncn2)C	MCULE-9633981838,EMOLS-id_316874974,PC-id_136551933	328.409	LZCQRWNZHRNVFN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-083361
CCO[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ncnc23)[C@H]1Oc1ccccc1	ZINC22_658101598	328.409	LZCQRWNZHRNVFN-GWZLXJJCSA-N	00001010100000110001000010000000000000000000000000000000	25-01-083362
CCO[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ncnc23)[C@@H]1Oc1ccccc1	ZINC22_658101599	328.409	LZCQRWNZHRNVFN-LBWNCTQTSA-N	00001010100000110001000010000000000000000000000000000000	25-01-083363
CCO[C@@H]1C[C@H](N[C@@H]2C[C@H](C)n3ncnc23)[C@@H]1Oc1ccccc1	ZINC22_658101600	328.409	LZCQRWNZHRNVFN-RDDKANTKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-083364
CCO[C@@H]1C[C@H](N[C@@H]2C[C@H](C)n3ncnc23)[C@H]1Oc1ccccc1	ZINC22_658101601	328.409	LZCQRWNZHRNVFN-WSOGKROESA-N	00001010100000110001000010000000000000000000000000000000	25-01-083365
CN1CCC(N(Cc2ccco2)C(=O)c2cc3n(n2)CCC3)CC1	EMOLS-id_316912981,MCULE-4386527063,ZINC22_294911947	328.409	JCPCAEUFCTXBQO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083366
CN(C1CCN(C1)C(=O)c1[nH]c2c(c1)CCC2)Cc1ncoc1C	EMOLS-id_319570625	328.409	LWHYGXRGYKVLLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083367
COc1ccc(cc1)C(C(=O)N1Cc2c(C1)cnn2C)NC(C)C	EMOLS-id_278359294	328.409	PMLYQZZJEPFEHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083368
COc1ccc(cc1)C(C(=O)NC1CCn2c1ncc2)NC(C)C	EMOLS-id_319896879,MCULE-5744184600	328.409	LZSPAAHKCAAWHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083369
COc1ccc(cc1)C(NC(=O)c1cnn2c1CCC2)CN(C)C	MCULE-1186252814,EMOLS-id_316894050	328.409	GSPDEHLDAPUNJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083370
COc1ccc(cc1)C(NC(=O)c1n[nH]c2c1CCC2)CN(C)C	MCULE-6109431316,EMOLS-id_73020304,PC-id_121589602	328.409	RMNNAJVZLVHQCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083371
COc1ccc(cc1)C(N(C(=O)NC1CC(n2c1ncc2)C)C)C	EMOLS-id_318444174	328.409	WKWFDSFXCJUQHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083372
COc1ccc(C)cc1NCCC(=O)Nc1c2c(nn1C)CCC2	EMOLS-id_33316657,MCULE-6329500608,PC-id_51096963,ZINC22_58378520	328.409	GBSVHJZNWGWGEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083373
COc1ccc([C@H](CN(C)C)NC(=O)c2cnn3c2CCC3)cc1	ZINC22_296942756	328.409	GSPDEHLDAPUNJD-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083374
COc1ccc([C@@H](CN(C)C)NC(=O)c2cnn3c2CCC3)cc1	ZINC22_296942759	328.409	GSPDEHLDAPUNJD-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083375
COc1ccc([C@H](CN(C)C)NC(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_330032751	328.409	RMNNAJVZLVHQCQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083376
COc1ccc([C@@H](CN(C)C)NC(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_330032752	328.409	RMNNAJVZLVHQCQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083377
COC1(CC(=O)N2Cc3c(Cn4cccc4)nn(C)c3C2)CCC1	EMOLS-id_313735639,ZINC22_1565553903	328.409	GURGSFPJKDJHIO-UHFFFAOYSA-N	00001010110000000001000010000000000000000000000000000000	25-01-083378
n1c(CNC(=O)C2CCCN(Cc3ccco3)C2)c2c(CCC2)[nH]1	EMOLS-id_23820474,MCULE-5744652014,PC-id_45215375	328.409	HFZJNLCJYLUNPB-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083379
o1c(C2C(C2)C)ccc1CCC(=O)NC(c1n2CCCc2nn1)C	MCULE-5359216118,PC-id_45819121,EMOLS-id_31936152	328.409	ROTTUMIUKRQUIN-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-083380
Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1ccccc1	BindingDB_PC-id_53862241,PC-id_53862241	328.409	GXHDXIGJFSRVPQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083381
O=C1CCCN1Cc1nn(c2c1CN(C2)Cc1cocc1)C(C)C	PC-id_97405362	328.409	IGWDFVPEMNOGQI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-083382
O=C(c1cnc2n1CCC2)N1CCC[C@@H]1c1occ(n1)C(C)(C)C	EMOLS-id_319487317	328.409	NQNDIEBXKCGSMA-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083383
O=C(c1cnn2c1CCC2)N1CCC[C@@H]1c1occ(n1)C(C)(C)C	EMOLS-id_319004055	328.409	GNAZJSVAOMCXGV-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083384
O=C(c1cnoc1C)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109932	328.409	AJYHHTZJNFNOHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083385
O=C(c1occ2c1CCC2)N1CCCCC1c1n[nH]c(n1)C(C)C	EMOLS-id_318725041	328.409	LPAHSNDQSIDOOI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083386
O=C(C(C)(C)C)N(c1ccc(cc1)OCc1nnc2n1CCC2)C	EMOLS-id_319305023	328.409	XRQPKBHHCVZSCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083387
O(CCCC(=O)NC(c1n2CCCc2nn1)C)c1c(cccc1)C	MCULE-6808620044,EMOLS-id_31936186,PC-id_45819132	328.409	FIEXERLENAAJOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083388
O(CCC(=O)NC(c1n2CCCc2nn1)C)c1c(c(ccc1)C)C	MCULE-9433716509,EMOLS-id_31936198,PC-id_45819138	328.409	UKPSORLEUPRQSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083389
O=C(N1CCC[C@@H]1c1occ(n1)C(C)(C)C)c1nn2c(c1)CCC2	EMOLS-id_319517716	328.409	MQLRUJJWXXBFAC-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083390
O=C(NC(c1n2CCCc2nn1)C)CCCOc1cc(ccc1)C	EMOLS-id_31875222,MCULE-3265019971,PC-id_45804915	328.409	CCXYUUIBXDFHMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083391
O=C(NC(c1n2CCCc2nn1)C)CCCOc1ccc(cc1)C	EMOLS-id_31936116,MCULE-7603898319,PC-id_45819105	328.409	KKJHUTWPBCMLJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083392
O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCCN(Cc2ccco2)C1	CoCoCo_1410759,CoCoCo_1410758,CoCoCo_1410762,PC-id_28100427,CoCoCo_1410763,ZINC22_19227677	328.409	HFZJNLCJYLUNPB-ZDUSSCGKSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083393
O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCCN(Cc2ccco2)C1	CoCoCo_1410765,CoCoCo_1410760,CoCoCo_1410764,PC-id_28100425,ZINC22_19227675,CoCoCo_1410761	328.409	HFZJNLCJYLUNPB-CYBMUJFWSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083394
O=C(NC[C@H]1CCCN(Cc2ccco2)C1)c1n[nH]c2c1CCC2	PC-id_95219617,ZINC22_67868745	328.409	INZUQLXYBYFCKC-CYBMUJFWSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083395
O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)c1n[nH]c2c1CCC2	ZINC22_67868747,PC-id_95219618	328.409	INZUQLXYBYFCKC-ZDUSSCGKSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083396
O(C(=O)N1Cc2[nH]c(nc2C1)C(N)Cc1ccccc1)C(C)(C)C	PC-id_83949401	328.409	MXLFPINHZNDQFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083397
CCS(=O)(=O)N1Cc2c(C1)[nH]nc2COCc1nccs1	PC-id_97406034	328.41	QLGRGUVRTKEIAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083398
OCCCn1ncc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978015	328.41	WAEBTQPXMONEMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083399
c1(c(C)cnn1C1CCCC1)NC(=O)NCc1c2CCCc2[nH]n1	MCULE-6944704311,ZINC22_299776016,PC-id_118782927,EMOLS-id_68916114	328.412	JWRLQZGCSQLFGG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083400
c1(CN2CCC(CC2)COc2c(C)nccn2)nnc2CCCn12	EMOLS-id_337822715,MCULE-5430447716,PC-id_165434608	328.412	HPXXVPRPZPOEON-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-083401
c1(CN2CCC(CC2)Oc2c(C)ncc(C)n2)nnc2CCCn12	EMOLS-id_337697780,MCULE-4044983410,ZINC22_2087122774	328.412	ZJYZTLVMYGUOSX-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-083402
c1(CN2CCCC(COc3ncc(cn3)C)C2)nnc2CCCn12	MCULE-4622473046,EMOLS-id_317518670	328.412	UYCURZALHDPBMD-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-083403
c1(CN2CCN(CC2)c2nccc(OC)n2)c2CCCc2nn1C	MCULE-9103460717,ZINC22_891591374,EMOLS-id_337122760	328.412	HWOZIKMVRQGFCN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083404
c1(CN2CCN(CC2)c2ncnc(OC)c2)c2CCCc2nn1C	MCULE-3459155557,EMOLS-id_337123272,ZINC22_893610870	328.412	DAAQIVQBOBLPGU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083405
c1(C(=O)NCc2c3CCCc3[nH]n2)cn(nn1)CC1CCCCC1	PC-id_42530306,MCULE-3684552716,CoCoCo_1412050,ZINC22_12317687,CoCoCo_1412051,EMOLS-id_20595901	328.412	WBFIJIOPPNBQQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083406
c1(C(=O)NCC2CCCN(Cc3c[nH]cn3)C2)c2CCCc2[nH]n1	MCULE-4958303803,EMOLS-id_36452991,PC-id_56716336	328.412	PUOFALANMVSKOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083407
Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3n[nH]c4c3CCC4)C2)n1	ZINC22_426602384	328.412	GTZGONGCLVAYTQ-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083408
Cc1cc(C)n([C@H]2CCN(C(=O)NCc3n[nH]c4c3CCC4)C2)n1	ZINC22_426602387	328.412	GTZGONGCLVAYTQ-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083409
Cc1cc(C)n(n1)C1CCN(C1)C(=O)NCc1n[nH]c2CCCc12	MCULE-2684149771,EMOLS-id_177470527,PC-id_121508514	328.412	GTZGONGCLVAYTQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083410
Cc1cc(N2CCC[C@@H](NC(=O)c3cc4n(n3)CCC4)C2)n(C)n1	ZINC22_295459702	328.412	FMJYNJDNLBIOHM-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083411
Cc1cc(N2CCC[C@H](NC(=O)c3cc4n(n3)CCC4)C2)n(C)n1	ZINC22_295459703	328.412	FMJYNJDNLBIOHM-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083412
Cc1cnc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1	ZINC22_1776001016	328.412	UYCURZALHDPBMD-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-083413
Cc1cnc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1	ZINC22_1776001017	328.412	UYCURZALHDPBMD-CQSZACIVSA-N	00000010100010100001000010000000000000000000000000000000	25-01-083414
Cc1nc(C)n(C[C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_371038438	328.412	ZNZJSIWHDRARGT-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083415
Cc1nc(C)n(C[C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_371038439	328.412	ZNZJSIWHDRARGT-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083416
Cc1nc(n(n1)CC1CCCCN1C(=O)c1n[nH]c2c1CCC2)C	MCULE-5644577555,EMOLS-id_316063438	328.412	ZNZJSIWHDRARGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083417
Cc1nnc2CC(CNC(=O)c3c[nH]nc3C3CCCCC3)Cn12	EMOLS-id_317507727,MCULE-8431653972,PC-id_137336734	328.412	GELZLXSDPVEAOR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083418
Cc1nnc2n1C[C@@H](CNC(=O)c1c[nH]nc1C1CCCCC1)C2	ZINC22_1772706599	328.412	GELZLXSDPVEAOR-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083419
Cc1nnc2n1C[C@H](CNC(=O)c1c[nH]nc1C1CCCCC1)C2	ZINC22_1772706600	328.412	GELZLXSDPVEAOR-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083420
Cc1nn(c(c1)N1CCCC(C1)NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_316153134,MCULE-8035160456	328.412	FMJYNJDNLBIOHM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083421
CC1OCCN(C1)c1ccc(cn1)CNC1CC(n2c1ncn2)C	MCULE-4792325285,EMOLS-id_320189690	328.412	XQGSCJIFZAIOFA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083422
CC(c1[nH]nc(n1)C1CCCCN1C(=O)c1cnc2n1CCC2)C	EMOLS-id_318619909	328.412	UFSLFIAHKRQCKT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083423
CC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1nnc2n1CCC2	ZINC22_40540835,MCULE-4263235110,PC-id_45827166,EMOLS-id_31976912,CoCoCo_4920875	328.412	MAAQHPKDGBLTRA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-083424
CC[C@@H](c1ccncc1)N(CC)C(=O)NCc1nnc2n1CCC2	ZINC22_95399973,PC-id_97215610	328.412	VNSUUHGLGPBSBG-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083425
CC[C@H](c1ccncc1)N(CC)C(=O)NCc1nnc2n1CCC2	ZINC22_95399974,PC-id_97215611	328.412	VNSUUHGLGPBSBG-CQSZACIVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083426
CCCN(CCc1ccccn1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_36679515,MCULE-6749654600,PC-id_53606712,ZINC22_69808827	328.412	NZTYUJLFNSAPDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083427
CCC(N(C(=O)NCc1nnc2n1CCC2)CC)c1ccncc1	PC-id_75372961,MCULE-4843416072,EMOLS-id_48239034	328.412	VNSUUHGLGPBSBG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083428
C[C@H]1C[C@H](NC(=O)c2cnc(C3CCN(C)CC3)[nH]2)c2nccn12	ZINC22_685942685	328.412	UCRASJCTGPDMTJ-AAEUAGOBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083429
C[C@@H]1C[C@@H](NC(=O)c2cnc(C3CCN(C)CC3)[nH]2)c2nccn12	ZINC22_685942689	328.412	UCRASJCTGPDMTJ-DGCLKSJQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083430
C[C@H]1C[C@@H](NC(=O)c2cnc(C3CCN(C)CC3)[nH]2)c2nccn12	ZINC22_685942690	328.412	UCRASJCTGPDMTJ-WCQYABFASA-N	00000010100010000001100010000000000000000000000000000000	25-01-083431
C[C@@H]1C[C@H](NC(=O)c2cnc(C3CCN(C)CC3)[nH]2)c2nccn12	ZINC22_685942692	328.412	UCRASJCTGPDMTJ-YPMHNXCESA-N	00000010100010000001100010000000000000000000000000000000	25-01-083432
C[C@@H]1CN(CCN1Cc1nn2CCCc2c1)C(=O)c1n[nH]c(c1)C	PC-id_136583130	328.412	LGNAOBQZUGRBOK-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083433
CCn1ccnc1C1CCCCN1C(=O)Nc1nn2c(c1)CCC2	PC-id_146103709,MCULE-5324706045,EMOLS-id_324052844	328.412	QEAFSCSLRNNXRY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083434
CCn1ccnc1[C@@H]1CCCCN1C(=O)N=c1cc2n([nH]1)CCC2	ZINC22_1875277546	328.412	QEAFSCSLRNNXRY-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083435
CCn1ccnc1[C@H]1CCCCN1C(=O)N=c1cc2n([nH]1)CCC2	ZINC22_1875277547	328.412	QEAFSCSLRNNXRY-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083436
CCN1CCN(CC1c1nccn1C)C(=O)c1n[nH]c2c1CCC2	MCULE-6092155444,EMOLS-id_316065980	328.412	YKMPEVOYFPOFKD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083437
CCN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1nccn1C	ZINC22_328642299	328.412	YKMPEVOYFPOFKD-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083438
CCN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1nccn1C	ZINC22_328642300	328.412	YKMPEVOYFPOFKD-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083439
CCNC(=NCc1ccc(cc1)OC)NCc1nnc2n1CCC2	PC-id_111020231	328.412	SWWQDAKFTUKHDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083440
CCNC(=NCc1ccccc1OC)NCc1nnc2n1CCC2	PC-id_111020265	328.412	QIUFWHCPQWKABA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083441
CCNC(=NCc1cccc(c1)OC)NCc1nnc2n1CCC2	PC-id_111020305	328.412	BFENIKOFDAJIDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083442
CCNC(=NCc1nnc2n1CCC2)NCCOc1ccccc1	PC-id_111006503	328.412	SLBAUTJLOXACJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083443
CCOc1ccccc1CNC(=NC)NCc1nnc2n1CCC2	PC-id_111020619	328.412	HGELHCJBUNQGNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083444
CN1CCC(CC1)c1[nH]cc(n1)C(=O)NC1CC(n2c1ncc2)C	MCULE-1985176406,EMOLS-id_316122011	328.412	UCRASJCTGPDMTJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083445
Cn1cc(CN2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cn1	MCULE-4405766784,ZINC22_72279829,EMOLS-id_42877880,PC-id_72143910	328.412	BHYSROPRDOGERF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-083446
Cn1ccnc1CN1CCCN(C(=O)c2[nH]nc3c2CCC3)CC1	PC-id_53614407,EMOLS-id_36684289,ZINC22_69892518,MCULE-4189939019	328.412	PEMUUIUJEIZVGE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-083447
Cn1nnc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109875	328.412	CZOMYTXWNXRGLV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083448
CN(c1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C(C)C	EMOLS-id_319176333	328.412	NMAKDJZXCHANHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083449
CN(c1cc(C)c(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319239471	328.412	LLZSZVVEXMZLFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083450
CNc1n[nH]c2c1CN(C2)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145111660	328.412	SZKSFICEZOBIOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083451
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_36627162,ZINC22_55077758,MCULE-7107586338,PC-id_52380253	328.412	PBAAGSKKPWQCNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083452
CN(CCNC(=O)NCCc1nnc2n1CCC2)c1ccccc1	PC-id_71972734,MCULE-4611070976,EMOLS-id_49103148,ZINC22_86360840	328.412	MMDHMDQTJLASAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083453
CN=C(N(Cc1ccc(cc1)OC)C)NCc1nnc2n1CCC2	PC-id_111272203	328.412	CTMMXKUTJAUUGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083454
CN=C(N(Cc1ccccc1OC)C)NCc1nnc2n1CCC2	PC-id_111282007	328.412	PQLWHWORJVMBQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083455
CN=C(N(Cc1cccc(c1)OC)C)NCc1nnc2n1CCC2	PC-id_119131376	328.412	QCOZIOOPIXIBHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083456
CN=C(NC(c1ccccc1OC)C)NCc1nnc2n1CCC2	PC-id_119131742	328.412	FCSWHBPLMSFIGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083457
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OC)C	PC-id_109711841	328.412	XJKPZONNLSJHEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083458
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1)OC	PC-id_111020215	328.412	OJYBOLWDLLMACI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083459
CN=C(NCc1nnc2n1CCC2)NCCc1ccccc1OC	PC-id_111020413	328.412	LFQYGUQBMMXEDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083460
CN=C(NCc1nnc2n1CCC2)NCCCOc1ccccc1	PC-id_111020321	328.412	AJEQHDMPEHZBHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083461
CN=C(NCc1nnc2n1CCC2)NCCOc1ccc(cc1)C	PC-id_111020181	328.412	CORLYWUUHIGXHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083462
CN=C(N(CCOc1ccccc1)C)NCc1nnc2n1CCC2	PC-id_111273857	328.412	YCMRTGSCCCVGIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083463
COCc1nc(NCc2n[nH]c3c2CCC3)cc(C2CC(N)C2)n1	MCULE-9826915117,EMOLS-id_55636282,PC-id_91771838,ZINC22_219578324	328.412	JTMLGRYYMBTNKK-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-083464
n1c(C2CCCNC2)ccn1CC(=O)NCc1c2CCCc2[nH]n1	EMOLS-id_82701053,MCULE-3646331197,PC-id_119059050	328.412	UCMQUACXJUPNSG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083465
NCCN(CCc1ccccc1)C(=O)NCc1nnc2n1CCC2	ZINC22_2325785117	328.412	DBJUKCRKWHMZTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083466
O=C(c1nnn(c1C)CC1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319610010	328.412	VZHMMHITTZPUNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083467
O=C(c1nnn(c1C)CC1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319265727	328.412	ZMATVGWWILDGCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083468
OCC(c1ccccc1)CNC(=NC)NCc1nnc2n1CCC2	PC-id_109409191	328.412	PQNMZQOAFDBCAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083469
O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCc1n[nH]c2c1CCC2	ZINC22_426369403	328.412	UCMQUACXJUPNSG-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083470
O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1n[nH]c2c1CCC2	ZINC22_426369404	328.412	UCMQUACXJUPNSG-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083471
O=C(N1CCC[C@H]1Cc1ccnn1C)NC1CC(n2c1ncc2)C	EMOLS-id_319504626	328.412	DTFDLRVMEUEICZ-BLZCZZARSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083472
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cn1cncn1	PC-id_92109897	328.412	YXVOBYXYDAOEIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083473
O=C(Nc1nc2c(s1)CCC2)c1csc(c2ccccn2)n1	PC-id_48850823,MCULE-1776315594,EMOLS-id_35739821,ZINC22_65475532	328.412	SGGMTCKSOOXXGX-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-083474
O=C(NC(c1n2CCCc2nn1)C(C)C)NCCc1ncccc1	PC-id_60277037	328.412	NDJPAAOYWNBEHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083475
O=C(NC[C@H]1CCCN(Cc2c[nH]cn2)C1)c1n[nH]c2c1CCC2	PC-id_95214694,ZINC22_67819912	328.412	PUOFALANMVSKOL-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083476
O=C(NC[C@@H]1CCCN(Cc2c[nH]cn2)C1)c1n[nH]c2c1CCC2	PC-id_95214695,ZINC22_67819914	328.412	PUOFALANMVSKOL-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083477
CC(Sc1n[nH]c(n1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100477452	328.414	UIUXKAMUQXZUTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083478
CN=C(N1CCC(C1)c1cnn(c1)C)NCc1nnc2n1CCC2	PC-id_119143742	328.415	GAUWJCFGPQPTPN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083479
n12N=C(C(C)(C)C)/C(=N/Nc3nn(CCC)c(c3)C)/c1nnc2C	PC-id_59703012	328.415	DVBGTJJIIQEBEK-UYRXBGFRSA-N	00000011100000000001000010000000000000000000000000000000	25-01-083480
n12N=C(C(C)(C)C)C(=NNc3nn(CCC)c(c3)C)c1nnc2C	PC-id_71096793	328.415	DVBGTJJIIQEBEK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-083481
CCc1sc2c(c1C(=O)c1ccccc1)CCC2CCC(=O)O	PC-id_20213600,SCHEMBL10741797	328.425	MMNOJEZYKRKVHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083482
CC(Cc1sc2c(c1C(=O)c1ccccc1)CCC2C(=O)O)C	PC-id_13588828,SCHEMBL10743374	328.425	OGYGIDQNSWNPQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083483
OC(=O)CCC1CCc2c1sc(c2C(=O)c1ccc(cc1)C)C	PC-id_20213636,SCHEMBL10742263	328.425	BJRNMQBWFVOSAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083484
OC(=O)CCC1CCc2c1sc(c2C(=O)c1ccccc1C)C	PC-id_20213638,SCHEMBL10745275	328.425	HDROVBQYUKAJQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083485
OC(=O)CCC1CCc2c1sc(c2C(=O)c1cccc(c1)C)C	PC-id_20213650,SCHEMBL10747376	328.425	XRUXDPCBVTUMPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083486
s1c2CCCc2cc1C(=O)OCC(=O)c1c(cc(c(c1)C)C)C	PC-id_4021890	328.425	OETPBWZUUUAXBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083487
CC(c1nn2c(c1)CCC2)NC1CCCN(C1)c1ccccc1F	MCULE-1206783823,EMOLS-id_318175316	328.427	IZEKEWBDLJSYGP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083488
Fc1ccc(cc1)[C@H]1CCNC[C@H]1NC(c1nn2c(c1)CCC2)C	EMOLS-id_319276923	328.427	XDQBAVRIMWZWDS-BSTPMOINSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083489
Fc1ccc(c(c1)C)N1CCCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318714529,MCULE-1972110739	328.427	XAQWXHHQKHDSHG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083490
Fc1ccc(cc1)CN1CCC(CC1)NC1CC(n2c1ncc2)C	MCULE-7738845405,EMOLS-id_318519040	328.427	YABCTGNSRRAVKR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083491
Fc1ccc(c(c1)C)N1CCCC(C1)NCc1cnc2n1CCC2	MCULE-3748201100,EMOLS-id_318663852	328.427	JXNONPDVZVYAGI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083492
Fc1cccc(c1)N1CCC(CC1)NC(c1nn2c(c1)CCC2)C	MCULE-8533465231,EMOLS-id_318651301	328.427	FFEOZJKFIHBIJE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083493
Fc1cccc(c1)N1CCCC(C1)NC(c1nn2c(c1)CCC2)C	MCULE-9720160062,EMOLS-id_318371910	328.427	XGXYHLMEQYDHRN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083494
Fc1ccc(N2CCN(CC2)CCCc2n[nH]c3c2CCC3)cc1	PC-id_17773179	328.427	XGSYJXOSSLBSRY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083495
c1(c2CCCc2sc1NC(=O)CCC)C(=O)Nc1ccccc1	MCULE-6524156768,PC-id_744733,ZINC22_186228,CoCoCo_345296,BAS-06104866,STOCK1S-86395,EMOLS-id_1476479	328.429	NVJDCTFFEITRAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083496
c1(c2CCCc2sc1NC(=O)CC)C(=O)Nc1ccc(cc1)C	ChEMBL-DNDi_CHEMBL3261-0009,BAS-00832014,PC-id_722794,EMOLS-id_1280364,CoCoCo_138042,ZINC22_127173,MCULE-8301657562	328.429	XIHCPWRFXLFNOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083497
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccccc1CC	ZINC22_4211546,MCULE-3612943141,EMOLS-id_2763233,PC-id_3799685,TIMTEC112022,CoCoCo_6728362	328.429	CWPMEMMEGBXIQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083498
c1(C(=O)N(C)C)c2CCCc2sc1NC(=O)c1ccccc1C	ZINC22_186971,CoCoCo_5970087,PC-id_745134,EMOLS-id_8602715,MCULE-5998845093	328.429	SSGFFILZKYVDEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083499
c1(C(=O)N(C)C)c2CCCc2sc1NC(=O)c1cccc(C)c1	ZINC22_106337,MCULE-7877309799,EMOLS-id_1991040,Chemmine_7445,CoCoCo_707382,ChEMBL-DNDi_CHEMBL3759-1437,PC-id_712915	328.429	LKABMKRHKFCGOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083500
c1(NC(=O)c2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)N	PC-id_4503186,TIMTEC353746,SPECS-id_AN-153/I293178,CoCoCo_3218605,EMOLS-id_3495961,MCULE-9550298056,SPECS-id_AP-970/41728682,ZINC22_6263184	328.429	OGGRANIWDRCKLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083501
c1(NC(=O)c2ccc(cc2C)C)sc2c(CCC2)c1C(=O)NC	MCULE-8571427739,CoCoCo_2590301,EMOLS-id_16349183,ZINC22_5055749,ChEMBL-DNDi_CHEMBLF1830-0134,PC-id_7475045	328.429	WGEOZJQIGXFERF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083502
c1(NC(=O)c2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NC	MCULE-9151405064,EMOLS-id_334333392	328.429	GRFCUCUDHQUUIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083503
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NC	PC-id_7475002,CoCoCo_2590267,ZINC22_5055702,EMOLS-id_16349123,MCULE-8429882822	328.429	FZPQRIYBUYDXKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083504
c1(NC(=O)c2cc(C)ccc2C)sc2c(CCC2)c1C(=O)NC	ZINC22_5055748,EMOLS-id_16349181,PC-id_7475044,CoCoCo_2590300,MCULE-4879843922,ChEMBL-DNDi_CHEMBLF1830-0133	328.429	SXCWUAPCFTWREA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083505
c1(NC(=O)c2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)NC	MCULE-4509961184,EMOLS-id_334328027	328.429	RWQCHIBTVYVYIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083506
c1(NC(=O)Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328797,MCULE-6404158715	328.429	NQSSWEQZBJJXCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083507
c1(NC(=O)CCc2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348369,PC-id_19220489,MCULE-2746221290	328.429	FRGCQZYYQMOCCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083508
c1(NC(=O)C=Cc2ccccc2OCCC)sc2c(CCC2)n1	MCULE-7383629156	328.429	LOAHCEBYJPQJGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083509
c1(NC(=O)C=Cc2ccc(cc2)OCCC)sc2c(CCC2)n1	MCULE-9948009677	328.429	RTWSBCJDTFWWQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083510
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)NC	CoCoCo_2580152,EMOLS-id_16344676,MCULE-2875837348,PC-id_7195556	328.429	MALKTKBKEJTOTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083511
c1(NC(=O)C(C)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-6231694936,EMOLS-id_334328541	328.429	ZOUBTLRXXUDMPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083512
c1(NC(=O)C=Cc2cccc(OC(C)C)c2)sc2c(CCC2)n1	MCULE-8942856463	328.429	XZLAREHMTNRBFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083513
c1(NC(=O)C(CC)c2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_2971256,MCULE-8778253109,ChEMBL-DNDi_CHEMBL7948081,TIMTEC139874,EMOLS-id_2043106	328.429	FBSAWAIHFJITQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083514
c1(NC(=O)CCCc2ccccc2)sc2c(CCC2)c1C(=O)N	TIMTEC405392,CoCoCo_1069483,ZINC22_13327475,MCULE-8905535198,SCHEMBL21045321,EMOLS-id_13330336,PC-id_17173035	328.429	QLWSMFRBWIRRHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083515
c1(sc2c(CCC2)n1)NC(=O)C1(CCOCC1)c1ccccc1	EMOLS-id_36514780,MCULE-3423107739,ZINC22_71287055,PC-id_56762691,STOCK7S-22978	328.429	SVEYGNKRVJASQB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083516
Cc1ccccc1N(C(=O)c1csc2c1CCC2)NCC(=O)C	SCHEMBL20541726,PC-id_135362986	328.429	WCFIEKWBLUWOSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083517
CCc1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CCC2	ZINC22_8023985,EMOLS-id_323976176,MCULE-1107980255,PC-id_9153911	328.429	LJNOGKNRMBCOAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083518
CC(C)(C)c1ccc(C(=O)C(=O)Nc2nc3c(s2)CCC3)cc1	PC-id_48333347,ZINC22_64236495,EMOLS-id_48222688,MCULE-1662900229	328.429	LTUKYWPAHOMQHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083519
CC(C)CNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1	EMOLS-id_44303566,ZINC22_96146796,PC-id_97442323	328.429	BTGCXTOUVDDGHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083520
CCCC(=O)Nc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_87026128	328.429	RFXRKMOWRSXYSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083521
CC[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	PC-id_1246939,ZINC22_1055675,CoCoCo_542911	328.429	FBSAWAIHFJITQP-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083522
CC[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	PC-id_1246940,ZINC22_1055673,CoCoCo_542912	328.429	FBSAWAIHFJITQP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083523
CCC(N1Nc2c(C1)sc(c2)/C=C/COc1ccccc1)C=O	PC-id_143828688	328.429	ZJSRTHADKFSJFK-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083524
CC/C(=NNC(=O)c1cc2c(s1)CCC2)/c1c(ccc(c1)C)O	PC-id_135749626	328.429	PQAVQYROMDPHNP-XMHGGMMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-083525
CCCOc1ccccc1/C=C/C(=O)Nc1nc2CCCc2s1	PC-id_84559577,EMOLS-id_181476233	328.429	LOAHCEBYJPQJGE-ZHACJKMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083526
CC(C)Oc1cccc(/C=C/C(=O)Nc2nc3CCCc3s2)c1	PC-id_84559366,EMOLS-id_181476123	328.429	XZLAREHMTNRBFC-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083527
CCCOc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_181476275,PC-id_84559675	328.429	RTWSBCJDTFWWQD-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083528
CCC(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccccc1C	SCHEMBL20541725,PC-id_135362985	328.429	PVXOKBVXKIEVAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083529
CCNC(=O)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	PC-id_71940849,EMOLS-id_44496843,MCULE-9201276324,ZINC22_84791100	328.429	CJXAIEJZPYLXHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083530
CN(C)C(=O)[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1	ZINC22_55792344,PC-id_94628148	328.429	WYMNZYMZSRRQNG-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083531
CN(C)C(=O)[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1	ZINC22_55792345,PC-id_94628149	328.429	WYMNZYMZSRRQNG-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083532
CN(C(=O)C(c1ccccc1)NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_44539930,PC-id_71890182,MCULE-6164940275	328.429	WYMNZYMZSRRQNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083533
COc1ccc(cc1)N1CC(CC1=O)NC1CCc2c1scc2	EMOLS-id_318415744,MCULE-7438469430	328.429	IUQXMQMFOPLFSV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-083534
COc1ccccc1N1CCC(C1=O)NC1CCc2c1scc2	EMOLS-id_318449287,MCULE-4432078200	328.429	BLQISTFBIREYIY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-083535
NC(=O)CCN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2	ZINC22_71858683,EMOLS-id_36908263,MCULE-2630322912,PC-id_56810419	328.429	MFFLJMBJPDCYSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083536
Oc1ccc(cc1)C1(CC1)C(=O)NCCc1sc2c(n1)CCC2	EMOLS-id_319608661	328.429	DTBYHHDQWAWEEZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083537
O(c1c(cc(C[NH+](Cc2n[nH]c3c2CCC3)C)cc1C)C)C(=O)C	PC-id_52389467	328.429	MZNSJHLIFIVGGY-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-083538
O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2O)CC1	EMOLS-id_11867110,ZINC22_9335999,CoCoCo_3363576,MCULE-6024651596,PC-id_16390681	328.429	GDPBRRGFLLJFLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083539
O=C(c1cc2c(s1)CCC2)N1CCN(c2ccc(O)cc2)CC1	ZINC22_12781346,EMOLS-id_18836392,MCULE-6533341198,CoCoCo_3264802,PC-id_25506556	328.429	VOOBWZIRGLDTKP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083540
O=C(c1cc2c(s1)CNC2)N1CCC[C@](O)(c2ccccc2)C1	ZINC22_2325800900	328.429	LUWWRHWOMVBXSB-GOSISDBHSA-N	00000010100010110000100010000000000000000000000000000000	25-01-083541
O=C(c1cc2c(s1)CNC2)N1CCC[C@@](O)(c2ccccc2)C1	ZINC22_2325800901	328.429	LUWWRHWOMVBXSB-SFHVURJKSA-N	00000010100010110000100010000000000000000000000000000000	25-01-083542
O=C(c1ccc(cc1)C1CCOCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318177781	328.429	LTOYWEIBSZWYPR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083543
O=C(c1cccc(c1)N1CCOCC1)NC1Cc2c(C1)ccs2	PC-id_21955861,SCHEMBL2456104	328.429	NKHUANRTJORMKQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083544
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)N1CCOCC1	EMOLS-id_3338251,PC-id_2565762,MCULE-6811338903,CoCoCo_3344693	328.429	QSQFNZZNXRZVMV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083545
O=C(Cc1cccc(c1C)C)Nc1sc2c(c1C(=O)N)CCC2	PC-id_102580770	328.429	JHVMRRMCOOSYMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083546
O=C(Nc1ccccc1N1CCOCC1)c1cc2c(s1)CCC2	CoCoCo_3344163,ZINC22_8338106,MCULE-6207619831,EMOLS-id_3664228,PC-id_9459810	328.429	KGWWKVWRVZYBTK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083547
O=C(Nc1sc2c(c1C(=O)N)CCC2)Cc1ccc(cc1C)C	CoCoCo_2590312,PC-id_7596901	328.429	WUMGKLMJGBOVQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083548
O=C(NCc1ccc(OCC2CC2)nc1)c1cc2c(s1)CCC2	EMOLS-id_53753907,PC-id_99702373,MCULE-1817874381,ZINC22_156311591	328.429	SFIHTUFNSCDCDQ-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-083549
OC(=O)C1CC[C@H](N1Cc1sc2c(n1)CCC2)c1ccccc1	EMOLS-id_318647095,MCULE-4561371176	328.429	FGUIVDDVOHFGDX-MLCCFXAWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083550
OC(=O)C1(CCN(C1)Cc1sc2c(n1)CCC2)c1ccccc1	MCULE-5672653041,EMOLS-id_318698901	328.429	IFFTWLUNCNNAGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083551
O=C(OCC1C2C1CCC#CCC2)NCCn1cc[n+]2c1CCC2	PC-id_102232654	328.429	VWUITZGFZMRGMV-UHFFFAOYSA-O	00100010100000000111010010000000000000000000000000000000	25-01-083552
OC(=O)[C@@H]1CCN([C@@H]1c1ccccc1)Cc1sc2c(n1)CCC2	EMOLS-id_318399472,MCULE-4824218464	328.429	PGYZLLGZMBXFIH-CXAGYDPISA-N	00000010100000110001100010000000000000000000000000000000	25-01-083553
OC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1)Cc1sc2c(n1)CCC2	EMOLS-id_318647960,MCULE-7359245293	328.429	FZMUGGUXRTYVGD-ZIAGYGMSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083554
OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1sc2c(n1)CCC2	MCULE-8055376879,EMOLS-id_318719036	328.429	FZMUGGUXRTYVGD-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083555
s1c2CCCc2cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1	PC-id_78773475	328.429	NRZCEDXULQGKMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083556
s1c2CCCc2cc1C(=O)NCC(=O)Nc1c(cccc1C)C	PC-id_51146678	328.429	ABMMULRAKIYUAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083557
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1ccc(cc1)C)C	PC-id_9374421	328.429	PDEBMLGQICJFKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083558
s1c2CCCc2cc1C(=O)NNC(=C1C=C(C=CC1=O)C)CC	PC-id_9462732	328.429	PSTSJWODSPMBJO-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-083559
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OCC)cc1)/C	PC-id_9462712	328.429	UCKGRIAXLZAOPW-UNOMPAQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083561
s1c2CCCc2cc1C(=O)NN=C(c1c(OC)ccc(c1)C)C	PC-id_84958180	328.429	OFKXCRLMBTXGKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083562
s1c2CCCc2cc1C(=O)N/N=C(c1c(OC)ccc(c1)C)/C	PC-id_9231740	328.429	OFKXCRLMBTXGKF-UNOMPAQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083563
s1c2CCCc2cc1C(=O)NN=C(Cc1ccc(OC)cc1)C	PC-id_85015556	328.429	ZLPBINGXDDMORG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083564
s1c2CCCc2cc1C(=O)N/N=C(Cc1ccc(OC)cc1)/C	PC-id_9462607	328.429	ZLPBINGXDDMORG-UNOMPAQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083565
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(C(C)C)cc1	PC-id_26872752	328.429	OKKSSIGTQFXOJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083566
s1c2CCCc2c(c1N=Cc1ccc(N(C)C)cc1)C(=O)OC	PC-id_24098289	328.429	YJLGHUXWWDXSKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083567
s1c2c(CCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)N	PC-id_41618312	328.429	VMANCJHFNDLFNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083568
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)N	PC-id_41618607	328.429	KQJLYQKKLCVIKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083569
s1c2c(CCC2)c(c1NC(=O)Cc1cc(c(cc1)C)C)C(=O)N	PC-id_41619588	328.429	DKJWAQUQVCVBDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083570
CC1(C)COCCN1CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100232248	328.43	KGQCDAXWTMYXPP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083571
CC1(C)OCCN(C1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101064280	328.43	NYSZHHYIJFNOQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083572
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1OCCC1(C)C	EMOLS-id_319581396	328.43	NPQLEPOGGKLNMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083573
CC(CN1CCN(C(C1)C)S(=O)(=O)c1cnc2n1CCC2)O	EMOLS-id_100860768	328.43	POQPMOXMZQYXOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083574
CC(C(N1CCOCC1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184790	328.43	OQHDVSXZTLUDHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083575
CC(N1CCOCC1)(CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100203030	328.43	WIVRABWLKOKSOS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083576
CC(N(S(=O)(=O)c1cnc2n1CCC2)C)CN1CCOCC1	EMOLS-id_100883445	328.43	NNMGNSGCNNKAAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083577
CC(NS(=O)(=O)c1cnc2n1CCC2)(CN1CCOCC1)C	EMOLS-id_101958391	328.43	VSLOHWXUNPZNNH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083578
COCC1(CCNCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302903714,MCULE-1132637884,PC-id_120877178	328.43	HHNYLUYOIWEMTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083579
CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cnc3n2CCC3)N(C)C1	MCULE-3840338145,ZINC22_328997095,EMOLS-id_98293722	328.43	URVHUPVJTRCHSJ-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083580
N#Cc1c(/N=C/c2ccc(c3ccccc3)cc2)sc2c1CCC2	ZINC22_6566306,PC-id_9663634,CoCoCo_3633012	328.43	FNDIMPBTJUNHSI-OEAKJJBVSA-N	00000010100000110000100010000000000000000000000000000000	25-01-083581
N#Cc1c(/N=Cc2ccc(cc2)c2ccccc2)sc2c1CCC2	CoCoCo_3633013	328.43	FNDIMPBTJUNHSI-UCQKPKSFSA-N	00000010100000110000100010000000000000000000000000000000	25-01-083582
N#Cc1c(N=Cc2ccc(cc2)c2ccccc2)sc2c1CCC2	EMOLS-id_26152123,MCULE-3545026507,PC-id_3305250	328.43	FNDIMPBTJUNHSI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-083583
NC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCC2	ZINC22_27924584,PC-id_35280980,CoCoCo_6400911	328.43	UFZKJYCIPZOBSY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083584
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1sccc1	PC-id_8473914	328.43	GRMYGLPALLYGBL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083585
CC(C)Cc1nc2s/c(=Cc3ccc(cc3)N(C)C)/c(=O)n2n1	EMOLS-id_324853998	328.432	KMDUTOIUXOEDKE-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083586
CCC(CC)n1nccc1C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_122148525,ZINC22_408513590,MCULE-9095209874,EMOLS-id_172328689	328.432	RZPYBHCFDAXFQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083587
CCN(CC)c1ccc(/C=c/2sc3nc(CC)nn3c2=O)cc1	EMOLS-id_324845286	328.432	VIIABDHGIZWUKF-KAMYIIQDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083588
CN(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324851937	328.432	KOZAGKDKVAKFAD-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083589
n12c(=O)c(=Cc3ccc(N(C)C)cc3)sc1nc(C(C)(C)C)n2	MCULE-1897245588	328.432	KOZAGKDKVAKFAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083590
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)CC	MCULE-3159130780	328.432	VIIABDHGIZWUKF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083591
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)CC(C)C	MCULE-5942747539	328.432	KMDUTOIUXOEDKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083592
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCC1CCCCC1	MCULE-8529398727	328.432	YILHANLVCFWXCI-UHFFFAOYSA-N	00000000110010000001000010000000000000000000000000000000	25-01-083593
O=c1n2nc(CCC3CCCCC3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324905993	328.432	YILHANLVCFWXCI-KAMYIIQDSA-N	00000000110010000001000010000000000000000000000000000000	25-01-083594
O=C(c1cc2c(s1)CCC2)N1CCC(Nc2cccnn2)CC1	PC-id_53592158,MCULE-4009225065,ZINC22_69656620,EMOLS-id_36683217	328.432	WVFDWFWHNAELBR-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-083595
O=C(c1cc2c(s1)CCC2)N1CCCN(c2cccnn2)CC1	ZINC22_69948805,EMOLS-id_36682835,PC-id_53619341,MCULE-2582350904	328.432	USMNCYKSZSNBOJ-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-083596
O=C(c1nccc(c1)NCc1sc2c(n1)CCC2)N1CCCC1	EMOLS-id_318643851,MCULE-9065930498	328.432	KLPXOCZELSTVIW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083597
O=C(c1sc2c(c1)CCC2)N1CCN(C(C1)C)c1nccnc1	MCULE-3619037821,EMOLS-id_320047833	328.432	SRYRZJOZWXVXJE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083598
O=C(c1sc2c(c1)CCC2)Nc1ccc(cn1)N1CCNCC1	PC-id_119494245	328.432	FKJPJXICPIFGHB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083599
O=C(N1CCn2c1ccn2)C(c1ccccc1)N1CCSCC1	EMOLS-id_318027460	328.432	DYAAHVCOTSPWGX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083600
O=C(NC1CCN(c2ncccn2)CC1)c1cc2c(s1)CCC2	MCULE-5039061054,PC-id_51083339,ZINC22_58416503,EMOLS-id_33308064	328.432	UPUPBXISPXQPPD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083601
s1c2CCCc2nc1Nc1cc(OC)c(N2CC(N=C2)C)cc1	PC-id_25106458	328.432	CZQPVZIBEYPOML-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-083602
s1c2CC(N(c2cc1)C)CN(C)C(=O)C=Cc1ccc(nc1)N	PC-id_85040353	328.432	XXGCONLIESRBNN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083603
s1c2CC(N(c2cc1)C)CN(C)C(=O)/C=C/c1ccc(nc1)N	PC-id_9797510	328.432	XXGCONLIESRBNN-GQCTYLIASA-N	00000010100000101000000010000000000000000000000000000000	25-01-083604
CCCCSc1n/c(=C/c2ccc(cc2)N(C)C)/c2n1nnn2	CoCoCo_5771776	328.435	QVAOTNYLVQHLIM-SDNWHVSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083605
CCCCSc1n/c(=Cc2ccc(cc2)N(C)C)/c2n1nnn2	NSC704870,CoCoCo_5771775,PC-id_5470752	328.435	QVAOTNYLVQHLIM-KAMYIIQDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083606
S(CCCC)c1n2nnnc2c(=Cc2ccc(N(C)C)cc2)n1	PC-id_397314	328.435	QVAOTNYLVQHLIM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083607
CCc1c(CC)nc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261715	328.449	OVBHOROMYDEPIL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083608
Cc1sc2c(n1)CN(C2)S(=O)(=O)CC1CCC(O1)C1CC1	EMOLS-id_320251425,MCULE-2693750916	328.45	USXDIZFZCGKRJL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-083609
CCOC(=O)C1CCc2c1nc(s2)NC1CCS(=O)CC1	PC-id_116151734	328.45	MLMCRRDUHIKAAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083610
CCS(=O)(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_110577787	328.45	FXFFDOVVKXRREY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083611
CNS(=O)(=O)CC1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_111678354	328.45	XPCUBDQPYMIFPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083612
CSCC[C@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)N	PC-id_104908205	328.45	JZNZNZZWHLXMSX-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083613
O=C(C1CCCCS1(=O)=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181809	328.45	CVWFHEKHISTWGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083614
O=C(C1CCS(=O)(=O)CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180285	328.45	OOPAILNSWLPCDN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083615
O=C(c1sc2c(c1)CCC2)N1CCCN(CC1)S(=O)(=O)C	PC-id_86979075	328.45	BVQCJKAZUUJNQW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-083616
O=C(c1sc2c(c1)CCC2)NC1CCCN(C1)S(=O)(=O)C	EMOLS-id_110601078	328.45	DWCJNFYQWQQAOK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-083617
O=C(c1sc2c(c1)CCC2)NC1CCN(CC1)S(=O)(=O)C	CoCoCo_4746629,PC-id_37077818	328.45	PLEYGUWINSQOEF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-083618
O=C(Nc1sc2c(n1)C(CC2)(C)C)CC1CCS(=O)(=O)C1	EMOLS-id_102180144	328.45	VHEZIIYKVHDZCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083619
s1c2c(CCC2)c(c1NC(=O)[C@@H](N)CCSC)C(=O)OC	PC-id_61253467	328.45	JZNZNZZWHLXMSX-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-083620
s1c2c(CCC2)c(c1NC(=O)C(N)CCSC)C(=O)OC	PC-id_76896614	328.45	JZNZNZZWHLXMSX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083621
s1c2c(CCC2)c(c1NC(=S)NCCCOC)C(=O)OC	PC-id_19652127	328.45	SNGXGHXFRMYYDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083622
S1(=O)(=O)Cc2c(sc(c2)C(=O)NCC2N(CCC2)CC)C1	PC-id_6619959	328.45	LVMSFPLSSKCYSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083623
S1(=O)(=O)CC(NCC1)CC(=O)NCc1sc2c(CCC2)c1	PC-id_80518344	328.45	PFEVWJJPYYLCFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083624
c1(NC(=O)c2ccccc2SCC)sc2c(CCC2)c1C#N	MCULE-3331751757,PC-id_7578430,EMOLS-id_322823457	328.452	HYZKQCAVYKCMJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083625
c1(NC(=O)c2ccc(cc2)SCC)sc2c(CCC2)c1C#N	PC-id_7579209,MCULE-4200265218,EMOLS-id_322837942	328.452	LQDQRBLAPPWIEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083626
c1(NC(=O)CCSc2ccccc2)sc2c(CCC2)c1C#N	ZINC22_4078599,CoCoCo_4974420,PC-id_4144177,EMOLS-id_4931089,MCULE-4014318815	328.452	ZPDOCPXVSTVICR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083627
CCOc1ccccc1C(NC1CC(n2c1ncn2)C)CC(C)C	EMOLS-id_320095448,MCULE-8348748894	328.452	NHWIDROMFYYCQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083628
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)Cc1ccncc1	PC-id_9226249	328.452	QTDCCMPZBQRPHP-UHFFFAOYSA-O	00000010100010101001000010000000000000000000000000000000	25-01-083629
s1c2CCCc2cc1C(=O)NCc1cc(N2CCCC2)[nH+]cc1	PC-id_31819082	328.452	KEELHMZIJJGNKX-UHFFFAOYSA-O	00000010100000101000100010000000000000000000000000000000	25-01-083630
s1c2CCCc2cc1C(=O)NCc1c[nH+]c(N2CCCC2)cc1	PC-id_37481986	328.452	RFQVNMMAAATYLP-UHFFFAOYSA-O	00000010100000101000100010000000000000000000000000000000	25-01-083631
s1c2CCCc2c(c1NC(=O)c1cc(SCC)ccc1)C#N	PC-id_7578798	328.452	BFKXHESHMSOGIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083632
s1c2CCCc2c(c1NC(=O)Cc1ccc(SC)cc1)C#N	PC-id_41126340	328.452	LONPGVFLAPCECO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083633
s1c2CCCc2c(c1NC(=O)CSc1ccc(cc1)C)C#N	PC-id_3255202	328.452	GOXBLZULEKJEAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083634
s1c2CCCc2c(c1NC(=O)CSc1c(cccc1)C)C#N	PC-id_3372655	328.452	DDKQUEXJPCCBJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083635
s1c2CCCc2c(c1NC(=O)CSCc1ccccc1)C#N	PC-id_8705917	328.452	ZJGGXDFZOQIPFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083636
CC(c1cc(NCc2nnc3n2CCC3)nc(n1)C(C)(C)C)(C)C	EMOLS-id_318664118,MCULE-5653502870	328.455	RLLMOEWCVMPZTB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083637
CC(c1sc2c(n1)CCC2)NCC1(CC1)C(c1ccccc1)O	PC-id_110017317	328.472	OBAXYAZUBQILHN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-083638
CCCCCC1C(Cc2c1nc(s2)Nc1ccccc1)CC=O	SCHEMBL11988958,PC-id_88864668	328.472	ABYDKIJLGFIFGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083639
CC(N1Cc2c(C1)cc(s2)C(=O)NCCCc1ccccc1)C	PC-id_53171040	328.472	BRVBGMUFMGCCMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083640
OC(c1ccccc1)C1CCN(CC1)Cc1sc2c(n1)CCC2	PC-id_109974597	328.472	CYVLJCDLDZHXGM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083641
OC(c1ccccc1)CC1CCCN1Cc1sc2c(n1)CCC2	PC-id_109975307	328.472	HNZFMUYVIZVTEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083642
s1c2CN(Cc2cc1C(=O)NCc1cc(c(cc1)C)C)C(C)C	PC-id_53171028	328.472	PAZONDARRKKCGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083643
s1c2CN(Cc2cc1C(=O)NCc1c(ccc(c1)C)C)C(C)C	PC-id_53171052	328.472	MLDYYQLJWFLJMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083644
S(C(=O)c1n(nc2c1CCC2)C)Cc1ccc(C(C)(C)C)cc1	PC-id_14536091	328.472	RLQLEQGVJJYLFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083645
Cc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_317933250	328.473	MZFPPUFLPUJYKP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083646
Cc1sc(cc1C)S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318611671	328.473	BPKAIQRFLUTACB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083647
CC1CC(c2n1ccn2)Nc1cccc(c1)CN1CCSCC1	MCULE-6546915178,EMOLS-id_318156886	328.475	XUTFOUWTFISKMO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083648
Cc1nc(C)nc(c1)N1CCC(CC1)NC1CCc2c1scc2	EMOLS-id_318499158,MCULE-3554796312	328.475	JXAGRUIPDLCLDC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083649
Cc1nc(C)nc(c1)N1CCCC(C1)NC1CCc2c1scc2	MCULE-1630005077,EMOLS-id_318477203	328.475	HIXCXXXDWACGEA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083650
CCc1ncnc(c1)N1CCCC(C1)NC1CCc2c1scc2	EMOLS-id_318448779,MCULE-4642498010	328.475	IZUGDCFRVLNAAJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083651
CCc1ncnc(c1)N1CCC(CC1)NC1CCc2c1scc2	EMOLS-id_318670012,MCULE-8505376325	328.475	MFNAJZCKHPAIDR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083652
CN1CC[C@@H](CNCc2nc3c(s2)CCC3)[C@@H]1c1cccnc1	EMOLS-id_112030154,MCULE-1954206193,ZINC22_328623190	328.475	BRWWDTDZOZFABB-KSSFIOAISA-N	00000010100000101001100010000000000000000000000000000000	25-01-083653
CN1CCN(CC1)c1ccc(cn1)CNC1CCc2c1scc2	EMOLS-id_318407306,MCULE-8726411965	328.475	KCLYVGWGNCYESG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083654
CN1CCN(CC1)c1ncccc1CNC1CCc2c1scc2	EMOLS-id_318379759,MCULE-8660395994	328.475	AMSFWYMAKIRXEV-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083655
CN1CCN(CC1)c1nccc(c1)CNC1CCc2c1scc2	EMOLS-id_318482709,MCULE-8361507731	328.475	UMYPKFBWPVWMIT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083656
S1CCN(CC1)Cc1ccccc1NCc1cnc2n1CCC2	EMOLS-id_318387722	328.475	VZZKHLXLUQAASC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083657
CCSCCC(Nc1sc2c(n1)C(CC2)C(=O)OCC)C	PC-id_116414052	328.493	GADCYTSQNNULFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083658
CSCCCCCNc1nc2c(s1)CCC2C(=O)OCC	PC-id_105922879	328.493	RUKRMXABFVTOJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083659
CSCCC(N(c1nc2c(s1)CCC2C(=O)OCC)C)C	PC-id_116421997	328.493	ZKFDMMITIOXIDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083660
CSCC(N(c1nc2c(s1)CCC2C(=O)OCC)C)CC	PC-id_104289248	328.493	NICLZRQAWXDVGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083661
NC(c1sc2c(c1)CCC2)CC1CCCN(C1)S(=O)(=O)C	PC-id_105011026	328.493	MDNWQBYTDMPPKG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-083662
NNC(C1CCCC(C1)S(=O)(=O)C)c1sc2c(c1)CCC2	PC-id_105324223	328.493	PEBWBWGTQSCQMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-083663
S(=O)(=O)(N1CC(CCC1)CNCc1sc2c(CCC2)c1)C	PC-id_79613307	328.493	QSLDCTHQEVNKBP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-083664
C1=CCC(C=C1)CC1Sc2c(N1)sc(n2)CC1CC=CC=C1	SCHEMBL13946310,PC-id_71030868	328.495	NZAGNBHBLLTLSY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-083665
c1(NC(=O)CCCCC2CCSS2)sc2c(CCC2)n1	EMOLS-id_43035522,MCULE-7264800060,PC-id_71692202,CNP0254949,EMOLS-id_317517077,STOCK1N-78156	328.516	RYGRRNZTEGMGOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083666
c1(NC(=O)CCCC[C@H]2CCSS2)sc2c(CCC2)n1	MCULE-1413652518,EMOLS-id_316221428	328.516	RYGRRNZTEGMGOL-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-083667
CC1=Cc2c(C1[Si](C1=C(C)Cc3c1scc3)(C)C)ccs2	PC-id_100915363	328.567	WMIATEPLAMMZDV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-083668
Clc1ncc(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1	PC-id_61215685	328.838	WOGTXYAGSYDSIY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083714
Brc1cnc(c(c1)Cl)NCc1nnc2n1CCC2	EMOLS-id_318532755,MCULE-5492899311	328.596	JDDHHLDIFFKGBZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083669
Clc1cnc(c(c1)Br)NCc1nnc2n1CCC2	MCULE-7798088370,EMOLS-id_318624825	328.596	PKDJLIOJAPUDRT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083670
Brc1ccc(NC2CCc3sc(Cl)cc23)cc1	PC-id_81252566	328.655	HRVMLKQVXVXAAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083671
Brc1cc(NC2CCc3sc(Cl)cc23)ccc1	PC-id_81252567	328.655	JORVGFKLXPZSCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083672
Brc1c(NC2CCc3sc(Cl)cc23)cccc1	PC-id_81252469	328.655	YFOUKTIMGIYHHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083673
Clc1cccc(c1C(=O)n1nc(c2c1CCC2)C)C(F)(F)F	PC-id_145138644	328.717	TYLLSCXZJRSCAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083674
CC(C)C(=O)Nc1c2CN(C(c2nn1C(=O)O)(C)C)C(=O)Cl	PC-id_87680808,SCHEMBL4516226	328.751	OVDAEIWELANPMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083675
CCOC(=O)n1nc2c(c1NC(=O)C)CN(C2(C)C)C(=O)Cl	PC-id_58015625,SCHEMBL12879130	328.751	LREAOOVAUMXIEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083676
Cc1nn(c2cccc(Cl)c2)nc1C(=O)N1CCn2nccc12	MCULE-5287994128,ZINC22_585081558,EMOLS-id_177261237	328.756	KGXKPFAHGSKJKX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083677
CC1CCc2c1c(CCl)nn2Cc1ccccc1C(F)(F)F	EMOLS-id_331022857,MCULE-6429946262	328.76	DKWLLPRSSBKQJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083678
CC1CCc2c1c(CCl)nn2Cc1ccc(cc1)C(F)(F)F	MCULE-4602422309,EMOLS-id_331024648	328.76	QQKAVBYLQGQJMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083679
CC1CCc2c1c(CCl)nn2Cc1cccc(c1)C(F)(F)F	MCULE-5026688392,EMOLS-id_331024905	328.76	AXFFKQWHFVOEMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083680
CC1CCc2c1c(Cl)nn2Cc1cc(ccc1C)C(F)(F)F	EMOLS-id_330975736,MCULE-9480720292	328.76	VVUWFOKXRGXDQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083681
CC1CCc2c1c(Cl)nn2Cc1cccc(c1C)C(F)(F)F	MCULE-9678929532,EMOLS-id_330976504	328.76	GLRJXDNHPPONEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083682
CC1CCc2c1c(Cl)nn2Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_330976248,MCULE-5404916654	328.76	POHSOOOHVQYVKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083683
CC1CCc2c1c(Cl)nn2Cc1ccc(C)c(c1)C(F)(F)F	MCULE-3778464075,EMOLS-id_330975992	328.76	BPBOWYLPIMBZFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083684
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(Cl)c12	MCULE-1530616022,EMOLS-id_330960820	328.76	QZKNCDCGOVSERA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083685
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(Cl)c12	MCULE-3965122927,EMOLS-id_330957493	328.76	JDHQMYXOKSLVQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083686
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(CCl)c12	EMOLS-id_331006899,MCULE-4476879943	328.76	HNVRAFNFBVZGFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083687
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(CCl)c12	EMOLS-id_331008690,MCULE-2997460483	328.76	SEAGCWDUBOYGDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083688
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(CCl)c12	EMOLS-id_331008947,MCULE-6790366655	328.76	KKMBHTQBRICVNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083689
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(Cl)c12	MCULE-1238630865,EMOLS-id_330957237	328.76	OGTYZUGTJVVROG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083690
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(Cl)c12	MCULE-8733589857,EMOLS-id_330956981	328.76	WEWATPXOKBEZGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083691
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330957238,MCULE-2796668214	328.76	FFBJIPCZAWLFJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083692
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330959032,MCULE-2090102901	328.76	GPCDWMDELUAPGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083693
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1Cl	MCULE-3359306448,EMOLS-id_330960825	328.76	JCDJLWTVPZVWJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083694
Clc1sc2CCC(Nc3cc(c(F)cc3F)C(=O)N)c2c1	PC-id_81233574	328.765	TUESUISHTLWDGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083695
Clc1sc(CN2c3n(CC2)c(c(OC)c3[N+](=O)[O-])C)cn1	SCHEMBL14646102,PC-id_71231106	328.775	ZJIOUCXYQKKLSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083696
Clc1ncc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cn1	PC-id_61047562	328.778	PMFLYDLHUKAJHK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083697
Clc1ncc(S(=O)(=O)NC(c2n3CCCc3nn2)C)cn1	PC-id_61053434	328.778	KCWRJDVCAAMMGF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083698
Clc1ccc(cc1)C1=CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319715259	328.796	UPWWPQQDILFAHA-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-083699
Clc1sc(nn1)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_80617820	328.798	HVFKZXNXVSOOSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083700
CC(c1ccc(cc1Cl)n1cncn1)NC1CCn2c1ncc2	PC-id_145878337,EMOLS-id_316919662	328.799	DEAFSEGHIAFBEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083701
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)c1C#N	MCULE-1640997674	328.816	BWSLBULVDLWONB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083702
Clc1ccccc1/C=C/C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322615905	328.816	BWSLBULVDLWONB-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083703
Clc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_327863629	328.816	FZDVEPGBUOMFGL-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083704
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327854929	328.816	AWMMJFUZNPDFNE-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083705
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(cc1)Cl	PC-id_924833,MCULE-1916237277	328.816	AWMMJFUZNPDFNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083706
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1cccc(Cl)c1	MCULE-6270775839	328.816	FZDVEPGBUOMFGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083707
Clc1cccc(c2cc(Sc3ncc4n3CCC4)ncn2)c1	ZINC22_2325824905	328.819	UZYKOFIFNHULQU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083708
Cc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Cl	EMOLS-id_318587764	328.838	CXOMWISFZYMYAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083709
Clc1ccccc1S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318644348	328.838	QPROCXSDRXCQEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083710
Clc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)cncc1	PC-id_64281156	328.838	QUJXIGWMHPZTIO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083711
Clc1sc2CCC(Nc3ccc(S(=O)(=O)C)nc3)c2c1	PC-id_81251838	328.838	BJOCZPYGJBRGLB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083715
Clc1sc2CCC(Nc3ccc(S(=O)(=O)N)cc3)c2c1	PC-id_81252771	328.838	ACOULBHACJASFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083716
Clc1sc2CCC(Nc3cc(S(=O)(=O)N)ccc3)c2c1	PC-id_81252880	328.838	SXBNMAJMLPTSTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083717
Clc1scc2C(OC(=O)C3=C(NC(=S)NC3)C)CCc12	PC-id_16078617,SCHEMBL5820766	328.838	CPXJATZNKNZEMG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-083718
OC(=O)C1CCc2c1nc(s2)N(Cc1ccc(s1)Cl)C	PC-id_104288129	328.838	USTRQDJSCGNMTJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083719
OC(=O)C1CCc2c1nc(s2)NC(c1ccc(s1)Cl)C	PC-id_104288164	328.838	SZHGXLMMTLDOKK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083720
OC(=O)C1CCc2c1nc(s2)NCCc1ccc(s1)Cl	PC-id_106044695	328.838	IXPIBKBAOSHDHP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083721
Clc1sc2c(C(NC3CCN(CC3)C(=O)COC)CC2)c1	PC-id_81234116	328.857	WGNUATSAIJPSHL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-083722
Clc1sc2c(C(NC3CCN(CC3)C(=O)OCC)CC2)c1	PC-id_81234961	328.857	UQQKELDZOCLHSI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-083723
O=C(N1CC(C1)NC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_107241832	328.857	XJCMQUGZRWQPMF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-083724
O=C(OC(C)(C)C)NC1CC1NC1CCc2c1cc(s2)Cl	PC-id_107237815	328.857	GXKGRDYWUDVFPJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-083725
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009979,MCULE-9510960977	328.879	WMEFBNSXTHYYKQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-083726
Clc1ccc(s1)C(CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908794	328.881	UBIPJYMRVJGEFY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083727
Brc1sc(Br)c2[C@H](O)[C@H](O)[C@H](N)c12	CoCoCo_5737823,PC-id_5468510	329.009	XGSHRKUKELEYBR-MROZADKFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083728
Brc1sc(Br)c2C(O)C(O)C(N)c12	PC-id_499346	329.009	XGSHRKUKELEYBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083729
Brc1sc(c2c1[C@@H](O)[C@H]([C@@H]2N)O)Br	CoCoCo_5737824	329.009	XGSHRKUKELEYBR-WDCZJNDASA-N	00000010100000000000000010000000000000000000000000000000	25-01-083730
Brc1sc(c2c1[C@@H](O)[C@H]([C@H]2N)O)Br	CoCoCo_5737825	329.009	XGSHRKUKELEYBR-LMVFSUKVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083731
Brc1sc(c2c1[C@@H](O)[C@@H]([C@@H]2N)O)Br	CoCoCo_5737826	329.009	XGSHRKUKELEYBR-UOWFLXDJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083732
Brc1sc(c2c1[C@@H](O)[C@@H]([C@H]2N)O)Br	CoCoCo_5737827	329.009	XGSHRKUKELEYBR-VPENINKCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083733
Brc1sc(c2c1[C@H](O)[C@H]([C@@H]2N)O)Br	CoCoCo_5737828	329.009	XGSHRKUKELEYBR-WISUUJSJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083734
Brc1sc(c2c1[C@H](O)[C@H]([C@H]2N)O)Br	CoCoCo_5737829	329.009	XGSHRKUKELEYBR-YUPRTTJUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083735
Brc1sc(c2c1[C@H](O)[C@@H]([C@H]2N)O)Br	CoCoCo_5737830	329.009	XGSHRKUKELEYBR-VAYJURFESA-N	00000010100000000000000010000000000000000000000000000000	25-01-083736
CC1=NC(=CS1)C2=CCC(=C2)C(=O)NC3=NC4=C(S3)CCC4	PC-id_160217410	329.066	PISWAALCRHPQHW-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-083737
CC1=CN2C(=C1)CN(C2=O)CC[C@](C)(C(=O)NO)S(=O)(=O)C	PC-id_152957601	329.105	UPXVOZXQARWYQA-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083738
CC[C@@H](CC(=O)C1=CC(=C2N1CCS2)C(=O)O)C3=CC=CC=C3	PC-id_160919827	329.109	SRWNFGBMBVXGPL-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083739
C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)NCC3=CNC(=O)N3	PC-id_154798556	329.11	IRXPBNVDGYIRSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083740
CN(CC1=NN=C2N1CCC2)C(=O)C3=CC=CC=C3OCC(=O)N	PC-id_154801358	329.149	WFMXCMHFUYGGLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083741
CC1CCC(C1)N(CCS(=O)(=O)F)CC2=CN=C3N2CCC3	MCULE-7571207023,PC-id_154879556	329.157	OBNSFUPANBSSAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083742
O=C(NCc1nnc2n1CCC2)c1cc(F)c(Cl)cc1Cl	EMOLS-id_29664053,PC-id_45803642,ZINC22_40486251,CoCoCo_4560510,MCULE-6881278188	329.157	FURTWLJHLUMCRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083743
CC(=O)N1C(=C2CN(C(C2=[NH+]1)(C)C)C(=O)OCC3=CC=CC=C3)N	PC-id_147641067	329.161	MCARJNRGQRLJFN-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-083744
Cc1c(C(N)=O)nc2n1C[C@@H](COc1ccc(C(C)(C)C)cc1)O2	MCULE-3171543415,EMOLS-id_313516886,PD079992	329.17	IZYYTLCSQBACIP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083745
COc1nsc(c1Br)C(=O)N1CCn2c1ccn2	EMOLS-id_319125412	329.173	MYOKDTOADRFPPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083746
COc1nsc(c1Br)C(=O)N1CCn2c1ncc2	EMOLS-id_319163924	329.173	WLHYAMLRRFSFPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083747
CC(C(=O)O)N(CCOC1=CC=CC=C1)CC2=CN=C3N2CCC3	MCULE-5061826497,EMOLS-id_317354269,PC-id_154772095	329.174	UYTVSSSGDFFMKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083748
CC1=NN(C(=C1C2CCCN2C(=O)C3=NNC4=C3CCC4)OC)C	PC-id_154747956,MCULE-6087652343,EMOLS-id_42878464	329.185	SLDJYZAWHCWVIA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-083749
CC1CC(C2=NC=CN12)NC(=O)C3=NNC(=N3)C4CCN(CC4)C	MCULE-7552803910,PC-id_154768481,EMOLS-id_257952066	329.196	CWVXVEKFFUBVCL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-083750
CC1=CN=C2N1CCC2N[C@H]3CN(C[C@H]3OC)C4=NC(=NC=C4)N	PC-id_154793902	329.196	HVEFTLCYCSGUBM-LWNNLKQOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-083751
Clc1ccc(CNC(=O)C2COc3ncsc23)cc1Cl	PC-id_78318539,BindingDB_PC-id_78318539,SCHEMBL15903257,BindingDB-id_412885	329.202	SAFSGNBCPAVFSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083752
Clc1ccc(CNC(=O)C2COc3ncsc23)c(Cl)c1	SCHEMBL15903254,BindingDB-id_412883,BindingDB_PC-id_78318538,PC-id_78318538	329.202	JODONQOKBQPBRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083753
Clc1sc2CCC(Nc3cc(Cl)c([N+](=O)[O-])cc3)c2c1	PC-id_82863425	329.202	SQEYXFQVZJBLBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083754
Clc1sc2CCC(Nc3c(Cl)cc([N+](=O)[O-])cc3)c2c1	PC-id_81234792	329.202	HWBCKKUVHINFEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083755
Clc1sc2CCC(Nc3cc([N+](=O)[O-])ccc3Cl)c2c1	PC-id_81235046	329.202	DCVVKZWLOHQNMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083756
Clc1sc2CCC(Nc3cc([N+](=O)[O-])c(Cl)cc3)c2c1	PC-id_81234934	329.202	PXRFJWLXISVTPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083757
Clc1sc2CCC(Nc3c([N+](=O)[O-])ccc(Cl)c3)c2c1	PC-id_81234791	329.202	KCDPVTJGBVBQNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083758
Clc1sc2CCC(Nc3c([N+](=O)[O-])cc(Cl)cc3)c2c1	PC-id_81234793	329.202	QFYYFCXAXUPWCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083759
O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)c(O)c(Cl)c1	ZINC22_12950117,EMOLS-id_24102562,PC-id_25628512,CoCoCo_4642637,MCULE-7851984178	329.202	RRHDTIINVUUPNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083760
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Cl)Cl	PC-id_104287516	329.202	IZPZPSWGBNEGKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083761
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)Cl)Cl	PC-id_104287550	329.202	CARDCNPGQWFIHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083762
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1Cl)Cl	PC-id_104287668	329.202	VKLYAJGCLMPIHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083763
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)ccc1Cl	PC-id_104287487	329.202	PAAJGCAREJYFPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083764
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)cc(c1)Cl	PC-id_104287543	329.202	NLGQQBMZYLUPFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083765
OC(=O)C1CCc2c1nc(s2)Nc1c(Cl)cccc1Cl	PC-id_104288867	329.202	KCHJMWBHCKRSJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083766
BrC(c1sc2c(CCC2)c1)c1cc(F)c(F)cc1	PC-id_63440026	329.203	MGIRFRORFUUOGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083767
BrC(c1sc2c(CCC2)c1)c1c(F)ccc(F)c1	PC-id_63438498	329.203	JUAFPIFOHGHQHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083768
BrC(c1sc2c(CCC2)c1)c1c(F)cc(F)cc1	PC-id_63442316	329.203	BQXNNIZLUGMVEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083769
c12CN(Cc1sc(Br)c2C#N)C(=O)OC(C)(C)C	EMOLS-id_331064868,MCULE-9309931015	329.213	YFQLVFHIJDIEKU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083770
O=C(Nc1nccn1CC(F)(F)F)C(=O)N1Cc2conc2C1	ZINC22_2325790602	329.235	XJKMMFQBOVFRAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083771
Brc1ccc(s1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314824191,PC-id_47119142	329.236	JQPWZSIKLNWLOY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083772
Brc1cnc(s1)NC(=O)c1sc2c(c1)CCC2	PC-id_60654832,EMOLS-id_314871064	329.236	RWVCDGSAVQGOFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083773
Brc1c(scc1)C(=O)Nc1sc2CCCc2n1	PC-id_47233940,EMOLS-id_314292754	329.236	SJXUIQNFQVZTBH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083774
Brc1scc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_314250703,PC-id_38012000	329.236	JQJFQTRNCAGZSK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083775
Clc1c(C(O)c2sc3c(CCC3)c2)cc(Cl)c(OC)c1	PC-id_81835123	329.241	XFUAVRBZIJEJDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083776
OC(=O)c1c(sc2c1CCC2)NC(=O)C(C(F)(F)F)(F)F	PC-id_108093244	329.243	MVUKVZGYUKNWTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083777
Fc1ccc(cc1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740177	329.25	VNYFPJUKKOUHOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083778
Fc1cccc(c1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740283	329.25	WKNKHWHWQDOFGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083779
FC(C(c1cc(F)ccc1F)NC(=O)c1nn2c(c1)OCC2)F	MCULE-9697928741,EMOLS-id_316793313	329.25	JIJGPCNUICAXHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083780
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc2n(n1)CCO2	ZINC22_562201747	329.25	JIJGPCNUICAXHP-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083781
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cc2n(n1)CCO2	ZINC22_562201750	329.25	JIJGPCNUICAXHP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083782
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1F	SCHEMBL18740247	329.25	PFWVDRKJYXPIJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083783
S(=O)(=O)(On1c(O)c2c(COC2C=CC)c1O)C(F)(F)F	PC-id_54052287	329.25	LTTHVAOGDXQPGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083784
Brc1cc2c(s1)CCC2N[C@H]1CC[C@H](C1)C(=O)N	EMOLS-id_101363806	329.256	ADYADQLOIDHPKU-HHCGNCNQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083785
CCN1CC(CC1=O)NC1CCc2c1cc(s2)Br	MCULE-3042821540,EMOLS-id_317937011	329.256	SGGBLAGKJUYMHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-083786
Cc1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)ccc1F	EMOLS-id_324907021	329.273	AKYFSXUMYNBFBH-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083787
n12c(=O)c(=Cc3ccc(F)c(C)c3)sc1nc(C(F)(F)F)n2	MCULE-9300677011	329.273	AKYFSXUMYNBFBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083788
Brc1ccc(s1)CC(c1sc2c(c1)CCC2)O	PC-id_115785690	329.276	YHDBVGAHTFUOQM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083789
Brc1csc(c1)CC(c1sc2c(c1)CCC2)O	PC-id_115790167	329.276	YEHYLTLSFTUXAD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083790
Brc1c(sc(c1)C)C(O)c1sc2c(CCC2)c1	PC-id_65278801	329.276	YUZUFTMJZFEHSJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083791
Brc1sc(c(C(O)c2sc3c(CCC3)c2)c1)C	PC-id_65634286	329.276	IDRMDDQNXXMAPW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083792
Brc1sc(C(O)c2sc3c(CCC3)c2)cc1C	PC-id_79990933	329.276	HUURLQFGSVZXIT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083793
OC(c1sc2c(c1)CCC2)Cc1sccc1Br	PC-id_115790756	329.276	IVKRVEMKJNEEIP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083794
OC(c1sc(c(c1)Br)C)c1sc2c(c1)CCC2	PC-id_102834633	329.276	NWIZJMNDQAPLGM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083795
c1(C(=O)N(C)CCc2noc(C(F)(F)F)n2)c2CCCc2[nH]n1	ZINC22_215203936,MCULE-4757220101,EMOLS-id_49871808,PC-id_77081652	329.278	ROXCJZNATAQHQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083796
Nc1cc(=O)n(c(=O)n1CC(F)(F)F)Cc1cc2n(n1)CCC2	EMOLS-id_320133258,MCULE-6982979864	329.278	VEPQYTZDWAMKJP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083797
O=C(c1cc2n(n1)CCO2)N1CCC(CC1)C1(N=N1)C(F)(F)F	MCULE-4592796763,EMOLS-id_319932204	329.278	QILNTEOYXYJCLP-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-083798
Brc1cc(sc1)C(NC)c1sc2CCCc2n1	PC-id_61347380	329.279	FCSVBNSKHZFGDY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083799
Brc1sc(C(NC)c2sc3CCCc3n2)cc1	PC-id_61347979	329.279	ZCOWOBZBKWQRCD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083800
CNC(c1sccc1Br)c1sc2c(n1)CCC2	PC-id_113298188	329.279	KLOUJWHBYJOOEL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083801
NC(c1sc(c(c1)Br)C)c1sc2c(n1)CCC2	PC-id_102842823	329.279	BMJPBIDVLRXPJX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083802
NNC(c1cscc1Br)c1sc2c(c1)CCC2	PC-id_105322603	329.279	BLEJIAVVRLWOOD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083803
NNC(c1sccc1Br)c1sc2c(c1)CCC2	PC-id_105327856	329.279	CQEZVZFDTDPVMV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-083804
CCn1nnnc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_1875276074	329.281	KJEJWGIEGJKNEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083805
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(nn1C)C(F)(F)F	EMOLS-id_319173340	329.281	DVNDMGAQPOWJLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083806
O=C(NCc1noc(c2cccc(F)c2)n1)c1cc2n(n1)CCO2	EMOLS-id_316813294,MCULE-5693973307,ZINC22_365603129	329.286	QJQNILQCROGOAA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083807
S1Cc2c(noc2NC(=O)Nc2ccc(cc2)C(F)(F)F)C1	PC-id_49720622	329.298	FWFUAQFHRIXAQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083808
S1Cc2c(noc2NC(=O)Nc2cc(ccc2)C(F)(F)F)C1	PC-id_49720623	329.298	RUBBJSPSIGULRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083809
S1Cc2c(noc2NC(=O)Nc2c(cccc2)C(F)(F)F)C1	PC-id_49720624	329.298	GWEZORUWESUZLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083810
CC(C1CCSCC1)n1nc2CCC(C)c2c1Br	EMOLS-id_331019681,MCULE-4488245421	329.299	WHVCGARBTYYNOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083811
COC(=O)C1N(Cc2c1cn(n2)C)C(=O)C(C1(O)CCC1)(F)F	EMOLS-id_320344199,MCULE-4050121752	329.299	JXZLULGLEGOQEX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-083812
Nc1n(C)nc2c1CN(C2)C(=O)C(C(=O)N1CCOCC1)(F)F	EMOLS-id_316550177	329.303	NPEZELHAEFPEAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083813
O=C(Nc1cc(c2cccc(F)c2F)n[nH]1)c1n[nH]c2c1CCC2	EMOLS-id_45672747,PC-id_71917917,ZINC22_89768158,MCULE-9589807338	329.304	QJWFPPFJEIUNEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083814
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(=O)OCC	STOCK6S-52626,MCULE-6608961127,EMOLS-id_17108690,PC-id_135635992	329.311	VOAIUDQIPVBJQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083815
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	PC-id_135904053,ZINC22_13726593	329.311	VOAIUDQIPVBJQA-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083816
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	ZINC22_13726596,PC-id_135904054	329.311	VOAIUDQIPVBJQA-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-083817
CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccc(cc1)C(=O)O	SCHEMBL12307471,PC-id_58441038	329.311	JUIVVWOWEGWGCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083818
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1cccc(c1)C(=O)O	PC-id_58440761,SCHEMBL12307478	329.311	GIKAKCXVIQAUHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083819
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1ccccc1C(=O)O	PC-id_58440964,SCHEMBL12307459	329.311	OVFAMJVGXGRVTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083820
Cc1nn(c(c1CN1Cc2c(C1)cnn2C)OCC(F)(F)F)C	EMOLS-id_318191733	329.321	YOEMNJGRKWFVKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083821
COc1cc(F)cc(c1S(=O)(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_316605013	329.322	YPSNENGDQOAJTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083822
FC(COc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2)F	EMOLS-id_316707827	329.322	DIHJKEVXUQZOOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083823
FC(Oc1ccccc1S(=O)(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_318035680	329.322	PGZBSYYXWGJOTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083824
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)N1CCCC1	PC-id_97407317	329.326	MMSFCUNADKHJHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083825
Fc1cccc(c1)C(=O)N1Cc2nc(oc2C1)C(=O)NCC1CC1	ZINC22_96147313,EMOLS-id_44304410,PC-id_97442837	329.326	MHZGMHIKEKNRFC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-083826
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccc(cn1)F	EMOLS-id_207863086,MCULE-8542198562	329.329	IQUXMHAKQGUZHW-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-083827
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccncc1F	MCULE-3762924973,EMOLS-id_207863074	329.329	YRGHPXQVPRJXSQ-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-083828
C#CCOc1ccc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319435201	329.329	MYTUFBDAKRPPDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083829
N(=O)(=O)c1ccc(cc1O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1414935659,EMOLS-id_328015797	329.331	LESFGALZQXSMQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083830
N(=O)(=O)c1cccc(C(=O)Nc2sc3CCCc3c2C#N)c1O	MCULE-3005428967,EMOLS-id_328198210	329.331	CXWQVRJASQLMQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083831
N(=O)(=O)c1c(O)ccc(C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_328067239,MCULE-8658570800	329.331	CRZTZEAKQCIFJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083832
S1CCn2c1nc(NC(=O)c1c(ccc([N+](=O)[O-])c1)C)c2C#N	PC-id_60324225	329.334	HDOXTDWNJFJXHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083833
S1CCn2c1nc(NC(=O)c1c(cc([N+](=O)[O-])cc1)C)c2C#N	PC-id_60323820	329.334	CIDLNXAHJGCIGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083834
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCc2cccs2)n1	PC-id_798533,BAS-01939659,MCULE-9808627648,EMOLS-id_1359711,SCHEMBL1008071,ZINC22_303766,CoCoCo_224984,TIMTEC604347	329.341	ZTZJFMDWFGTWTM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-083835
COc1ccc(cc1)CSC1Cn2c(C1)nnc2C(F)(F)F	SCHEMBL9202441,PC-id_19978614	329.341	YQQBYAFPBVDWHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083836
c12SCCn1cc(CNc1nccc(CCC(F)(F)F)n1)n2	EMOLS-id_43208477,PC-id_56879479,MCULE-2813920635,ZINC22_71764895	329.344	LXQSXNBNPKOWHT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083837
Cc1cc(NCCc2nc3n(c2)CCS3)nc(n1)C(F)(F)F	MCULE-1018051227,EMOLS-id_318715124	329.344	OQNBFBXNTNDQJB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083838
Cc1nc(NCCc2nc3n(c2)CCS3)cc(n1)C(F)(F)F	EMOLS-id_318125889,MCULE-2935261137	329.344	FLJGETBSZMVJEN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083839
Cc1nc(NCCc2nc3n(c2)CCS3)nc(c1)C(F)(F)F	EMOLS-id_318199718,MCULE-5542748046	329.344	BVTWZPWHSWGLFO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083840
Cc1nnc(c(c1)C(F)(F)F)NCCc1cn2c(n1)SCC2	MCULE-2406513645,EMOLS-id_318726906	329.344	SFAPLMWWXNPTFF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083841
COc1cc(ccc1OC)C(=O)c1c(C)c2c(n1C)C(C(=O)O2)C	SCHEMBL7678744,PC-id_53920572	329.347	IKDVWQANOQCCEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083842
COc1cc(C(=O)O)ccc1CCNC(=O)c1occ2c1CCC2	ZINC22_909629684,EMOLS-id_316933259,MCULE-7449282389	329.347	VWMJFXSWWDJRQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083843
OC[C@@H](COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)O	PC-id_139790229	329.347	URTXSHDOLZCJDF-LSLKUGRBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083844
N#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(F)c1	ZINC22_14258592,PC-id_17102715	329.349	HLNSHIXWHUKLKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083845
c12CN(Cc1cnn2C(=O)Oc1ccccc1)C(=O)OC(C)(C)C	ZINC22_11919361,MCULE-8644125575	329.35	GOSRIPAAAQNHNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083846
c1(C(=O)Nc2ccc(cc2)C(=O)OCCOC)c2CCCc2[nH]n1	EMOLS-id_335141411,MCULE-8101301045	329.35	BOFQGOBWMBWOPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083847
CC(C)n1cc2C(N(Cc2n1)C(=O)OCc1ccccc1)C(=O)O	EMOLS-id_259640428,MCULE-1103264725	329.35	VHZVCHQJOWIONK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083848
CCCn1cc2C(N(Cc2n1)C(=O)OCc1ccccc1)C(=O)O	EMOLS-id_259640431,MCULE-8788467981	329.35	CZXLJQWTDWSUQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083849
CCOC(=O)c1nc2n(n1)C(CC2OCc1ccccc1)C(=O)C	PC-id_137408088,SCHEMBL20640754	329.35	FNXXAZVNVCTZJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083850
COc1cccc(c1)C1CC(CN1C(=O)c1cc2n(n1)CCO2)O	EMOLS-id_318159695	329.35	LYXNUKLZKGESLU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083851
COc1cc(C(=O)O)ccc1CCNC(=O)c1cnn2c1CCC2	EMOLS-id_316446829,ZINC22_637795429,MCULE-6611788373	329.35	VUVXDBNPSVETBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083852
COC(=O)C(Cc1ccccc1O)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_258141016,MCULE-2708557512	329.35	PAGIKKIRRUHCGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083853
O1CC(N(CC1)C(=O)c1n[nH]c2c1CCC2)CC(=O)c1occc1	EMOLS-id_48287462,MCULE-7454523100,PC-id_75389840	329.35	XNOQUCZRCGWQDA-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083854
O=C(C[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccco1	PC-id_97244010,ZINC22_95439896	329.35	XNOQUCZRCGWQDA-LLVKDONJSA-N	00000010101010000001000010000000000000000000000000000000	25-01-083855
O=C(C[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccco1	ZINC22_95439897,PC-id_97244011	329.35	XNOQUCZRCGWQDA-NSHDSACASA-N	00000010101010000001000010000000000000000000000000000000	25-01-083856
OC(=O)COc1ccc(cc1)CCNC(=O)c1cnn2c1CCC2	EMOLS-id_316447085,MCULE-1103258929	329.35	VJEDREAIFYIGIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083857
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cc(no1)C	EMOLS-id_207863228,MCULE-8563432962	329.354	ASEDNFIKFUOGOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083858
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1coc(C)n1	EMOLS-id_207863225,MCULE-6129780400	329.354	YKKMBSAIDPZBPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083859
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1OCC)CC	EMOLS-id_27447722,SPECS-id_AN-153/NB21584,MCULE-1011026125,STOCK6S-78196,PC-id_135649927	329.354	FGOWCABGDFNKOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083860
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)OCC)CC	STOCK6S-83929,MCULE-6955445190,EMOLS-id_27456812,PC-id_135649919	329.354	CHCAGRSVIGPFGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083861
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)COC)Cc12	EMOLS-id_316320575,MCULE-9122768317	329.354	LFVIQSPMENFLCA-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083862
c1(C(=O)NCCNc2ccccc2N(=O)=O)c2CCCc2n(C)n1	EMOLS-id_320480270,PC-id_84466078,MCULE-7436610094	329.354	AMVHZFVFGYCTKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083863
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1)C)C	PC-id_45637961	329.413	IVCDJWCPNOSKJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084254
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccccn2)n1	EMOLS-id_316333374,MCULE-5529819602	329.354	AWTLOTHSPQXDRY-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-083864
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cccnc2)n1	EMOLS-id_316336432,MCULE-3151690213	329.354	MQIOFWSWQHRFDF-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083865
c1(C(=O)NCCOC)cnn2CC(Cc12)NC(=O)c1ccncc1	MCULE-6229512577	329.354	ZZCBFTQCPFMAQE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083866
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccccn1	MCULE-8324389798,EMOLS-id_316254197	329.354	TUFJEVFBXYNLAT-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-083867
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1cccnc1	MCULE-9762124894,EMOLS-id_316325681	329.354	SQPAINWDYBVTOO-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083868
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccncc1	MCULE-7993835704,EMOLS-id_316324147	329.354	ZZCBFTQCPFMAQE-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083869
Cc1nocc1C(=O)N1Cc2c(nn(C)c2C1)C(=O)N1CCCC1	EMOLS-id_207863179,MCULE-5857641502	329.354	GHZNQVLAEURSCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083870
Cc1noc(C)c1C(=O)N1Cc2c(C1)n(C)nc2C(=O)NC1CC1	MCULE-6628980854,EMOLS-id_207862938	329.354	ZKYMTMWOLDPVGS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-083871
CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)Nc1cccnc1	ZINC22_1433581231	329.354	GAORSIQRDPAJGN-CYBMUJFWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083872
CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)Nc1cccnc1	ZINC22_1433581234	329.354	GAORSIQRDPAJGN-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083873
CC(C)NC(=O)N1Cc2nc(C(=O)NCc3cccnc3)oc2C1	ZINC22_96266066,EMOLS-id_44379966,PC-id_97525828	329.354	AUDUTUMXXJMYKV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083874
C[C@@H]1CN(C(=O)c2ccon2)CCN1C(=O)[C@H]1CCc2c[nH]nc12	ZINC22_1875345133	329.354	SRCVYOCEYADGCM-PWSUYJOCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083875
C[C@@H]1CN(C(=O)c2ccon2)CCN1C(=O)[C@@H]1CCc2c[nH]nc12	ZINC22_1875345134	329.354	SRCVYOCEYADGCM-ZYHUDNBSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083876
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)OC	SCHEMBL2918985,PC-id_68440785	329.354	XJAOICMNPLATND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083877
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1OC	SCHEMBL2920506,PC-id_68441300	329.354	JEGDVTSPSXHHPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083878
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccc(c1)OC	SCHEMBL2922361,PC-id_68441950	329.354	OQKLFVCNJNPIFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083879
CCNC(=O)N1Cc2c(C1)cnn2NC(=O)COc1ccccc1	SCHEMBL7189474,PC-id_70016779	329.354	UGOUXVIDDBXUNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083880
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)COc1ccccc1	SCHEMBL2916810,PC-id_68440069	329.354	YUFHXAUQPORQQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083881
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(CC)nn12	ZINC22_31813648,PC-id_135878591	329.354	FGOWCABGDFNKOB-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083882
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(CC)nn12	ZINC22_31813654,PC-id_135878592	329.354	FGOWCABGDFNKOB-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-083883
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(c(ccc1)C)C	PC-id_7238917	329.413	FZLWSJFWXCCXRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084255
CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(CC)nn23)cc1	PC-id_135878670,ZINC22_31816275	329.354	CHCAGRSVIGPFGB-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083884
CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(CC)nn23)cc1	ZINC22_31816278,PC-id_135878671	329.354	CHCAGRSVIGPFGB-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083885
CCOC(=O)n1nc2c(c1NC(=O)c1ccccn1)CNC2(C)C	SCHEMBL597583,EMOLS-id_177876936,PC-id_58015636,MCULE-9178709602,ZINC22_88383886	329.354	NDVUVBDBVPIUOO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083886
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1ccccn1	PC-id_59508326,SCHEMBL3653130	329.354	XMRXGQHCQKPXDY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083887
CCOC(=O)Nc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_24993112,MCULE-7370427240,PC-id_32302174,EMOLS-id_17206293,CoCoCo_4560519	329.354	HBHFUYUPGPVHIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083888
CC(=O)NCc1nnc2n1C(CC2)C(=O)Nc1ccc(cc1)OC	PC-id_134796013	329.354	OGZJFDLNDDAJPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083889
CN(C)CCNC(=O)c1nc2CN(Cc2o1)C(=O)c1cccnc1	CHEMBL3553890,ZINC22_96147303,EMOLS-id_44304390,PC-id_97442827	329.354	ZNYPPLCZPIAGNZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083890
CN(CC(=O)N1Cc2c(C1)nc(o2)C(=O)Nc1ccc(cn1)C)C	PC-id_97407312	329.354	CAHRQDMINXDIFL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083891
CN(CC(=O)N1Cc2c(C1)nc(o2)C(=O)NCc1ccncc1)C	PC-id_97525786	329.354	YPSIIHPWWSUWSX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083892
CN(C(=O)c1nn2c(c1)OCC2)c1ccc(nc1)N1CCOCC1	EMOLS-id_99811914	329.354	OMOYTTACAUYPBF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083893
CN(C(=O)N1Cc2c(C1)nc(o2)C(=O)N(Cc1ccccn1)C)C	PC-id_97525827	329.354	SXEKSQDPHUCYTP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083894
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)Cc1cccc(c1)OC	SCHEMBL12307477,PC-id_58441174	329.354	OCINBYAFGIPJCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083895
COCC(=O)NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1	MCULE-4381641611	329.354	LFVIQSPMENFLCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083896
COC(=O)c1ccc(C)c(NC(=O)NCc2nnc3n2CCC3)c1	MCULE-3787258103,PC-id_52190295,EMOLS-id_36633680,ZINC22_43387481	329.354	FEKWNVFUQIZFHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083897
COC(=O)c1c(NC(=O)NCc2cccc(n2)C)nc2n1CCC2	EMOLS-id_319432781	329.354	NUOQQMUWWIOUAU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083898
COC(=O)c1c(NC(=O)N(Cc2ccccn2)C)nc2n1CCC2	EMOLS-id_319604840	329.354	FUBRYKCCEYEMKX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083899
COC(=O)c1c(NC(=O)NC(c2ccccn2)C)nc2n1CCC2	EMOLS-id_319797331	329.354	NDZCPLZCZZYORC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083900
COC(=O)c1c(NC(=O)N(Cc2cccnc2)C)nc2n1CCC2	EMOLS-id_319010884	329.354	ALNTYIYZYGTVLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083901
COC(=O)c1c(NC(=O)NC(c2cccnc2)C)nc2n1CCC2	EMOLS-id_319076145	329.354	WLLGBFRNINJARI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083902
COC(=O)c1c(NC(=O)NCc2cccnc2C)nc2n1CCC2	EMOLS-id_319233196	329.354	ZYEPAWFPSGLBNG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083903
COC(=O)c1c(NC(=O)NCc2ccc(nc2)C)nc2n1CCC2	EMOLS-id_319578625	329.354	FOJWZRLHHLHGME-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083904
COC(=O)c1c(NC(=O)N(Cc2ccncc2)C)nc2n1CCC2	EMOLS-id_319169383	329.354	URFQCXWPYSJAOK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083905
COC(=O)c1c(NC(=O)NCc2ccncc2C)nc2n1CCC2	EMOLS-id_319678176	329.354	IVTRQFNTCFYUEN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083906
COC(=O)c1c(NC(=O)NCc2cncc(c2)C)nc2n1CCC2	EMOLS-id_319381743	329.354	ZFJJMHQIJPIQER-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083907
COC(=O)c1c(NC(=O)NCc2ncccc2C)nc2n1CCC2	EMOLS-id_319554404	329.354	UBZOPPABEHTIKB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083908
O=C1N(CC(C1)C(=O)NCc1n2CCCc2nn1)Cc1occc1	MCULE-5016260873,EMOLS-id_45747735,PC-id_71898382	329.354	NPLDNOHQIOBYTE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-083909
O=C(CNC(=O)COc1ccccc1)NCc1nnc2n1CCC2	ZINC22_14111488,CoCoCo_4560540,MCULE-6821584850,PC-id_17445244,EMOLS-id_13459991	329.354	SQQZKFZJNRBXBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083910
O=C(N1Cc2c(C1)c(nn2C)C(=O)NC1CC1)NCc1ccco1	MCULE-1498387581,EMOLS-id_207862929	329.354	QAFOJHBSYNBRON-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-083911
O=C(NCc1n2CCCc2nn1)Nc1ccc(cc1)C(=O)OCC	PC-id_60379269	329.354	XDRIAXKVXBAPBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083912
O=C(NCc1n2CCCc2nn1)NCc1ccc(cc1)C(=O)OC	PC-id_43066056	329.354	UIPDMVRZYYDPMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083913
O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(Cc2ccco2)C1	PC-id_94004822,ZINC22_44695264	329.354	NPLDNOHQIOBYTE-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-083914
O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC22_44695265,PC-id_94004823	329.354	NPLDNOHQIOBYTE-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-083915
[O-][N+](=O)c1cn2c(n1)OC(C2)CN1CCN(CC1)c1ccccc1	PC-id_141088159	329.354	PLGHAEXBRDBWND-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083916
Cn1cc(cn1)C(=O)NCc1nnc2n1C(CC2)C(=O)NC1CC1	PC-id_134787919	329.357	XAYSDPIILKNECF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-083917
CN(C)C(=O)C1CCc2nnc(n12)CNC(=O)Nc1cnccc1	PC-id_134790757	329.357	SLCDGPDZCBPBGS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083918
O=C(c1ncnc(c1)N1CCOCC1)NC1CC(n2c1ncn2)C	MCULE-3332906985,EMOLS-id_320276507	329.357	FIMAMLKYEXUHLH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-083919
c1(C(F)(F)F)c2CCCc2n(CC(=O)N(C)C2CCCCC2)n1	ZINC22_869827,TIMTEC147335,CoCoCo_224988,BAS-01939663,PC-id_1129754,MCULE-5034016531,EMOLS-id_1359719	329.361	FKARYKJVATYNGZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-083920
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CC(F)(F)F	PC-id_92109924	329.361	WEXDZWGNMSRJGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083921
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)F)C)C	PC-id_13780959,SCHEMBL11601737	329.365	ZVZZAHNEDMLLRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083922
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1F)C)C	PC-id_20351676,SCHEMBL11601938	329.365	WJWHTYHHCRPJPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083923
O=C(NC1(c2cccc(F)c2)CCOCC1)c1occ2c1CCC2	ZINC22_671749844,EMOLS-id_320325622,PC-id_138997418,MCULE-7781909181	329.365	YYIHSQONKHZHPJ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-083924
C1CN(CCC1Cc1ccccc1)C(=O)c1nn2CCOc2c1F	PC-id_91960125	329.369	HMHFBQRGGPXAJD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083925
CC1CN(CC(O1)c1ccc(cc1)F)C(=O)c1n[nH]c2c1CCC2	MCULE-6492713047,PC-id_75373444,EMOLS-id_48240495	329.369	AVTPHQBYKJQWHB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083926
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](c2ccc(F)cc2)O1	PC-id_97216699,ZINC22_95401357	329.369	AVTPHQBYKJQWHB-BDJLRTHQSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083927
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](c2ccc(F)cc2)O1	PC-id_97216700,ZINC22_95401358	329.369	AVTPHQBYKJQWHB-MEDUHNTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-083928
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](c2ccc(F)cc2)O1	PC-id_97216701,ZINC22_95401359	329.369	AVTPHQBYKJQWHB-BZNIZROVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083929
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](c2ccc(F)cc2)O1	PC-id_97216702,ZINC22_95401360	329.369	AVTPHQBYKJQWHB-ZBEGNZNMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083930
COc1ccc(cc1F)C1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318500577	329.369	DGEHXGDACDUMCE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083931
Fc1ccc(cc1)C(C1CCCO1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318553123	329.369	JXDYQFXIMOQXMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083932
Fc1ccc(cc1)C(C1CCCO1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_97782351	329.369	DSRFEDTXHDJSSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083933
Fc1ccc(cc1)C[C@@H]1OCCN(C1)C(=O)c1[nH]nc2c1CCC2	CoCoCo_1560161,CoCoCo_1560163,PC-id_42196835	329.369	ORZGIEVCOHLZEO-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083934
Fc1ccc(cc1)C[C@H]1OCCN(C1)C(=O)c1[nH]nc2c1CCC2	PC-id_42196834,CoCoCo_1560162,CoCoCo_1560160	329.369	ORZGIEVCOHLZEO-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083935
Fc1ccc(cc1)C(CN(C(=O)c1n[nH]c2c1CCC2)C1CC1)O	PC-id_112362133	329.369	VYGMYTYHSQTTRZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-083936
Fc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)O)Cc1cnc2n1CCC2	MCULE-8657495042,EMOLS-id_318607938	329.369	XYYOPVXWJFOLGL-JKSUJKDBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083937
Fc1cccc(c1)N(C(=O)c1cnc2n1CCC2)C1CCOCC1	EMOLS-id_318164649	329.369	ZPRPFKYELSKLBD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083938
Fc1cccc(c1)N(C(=O)c1nn2c(c1)CCC2)C1CCOCC1	EMOLS-id_318349891	329.369	DYCCIXDDZBQWIR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083939
Fc1cc(ccc1OC1CCCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99698792	329.369	CRYIYGKDKQVGGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-083940
Fc1ccc(CC2OCCN(C2)C(=O)c2n[nH]c3c2CCC3)cc1	PC-id_45238880	329.369	ORZGIEVCOHLZEO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083941
O=C(c1cc2n(n1)CCC2)N1CCC(Oc2ccccc2F)CC1	ZINC22_633934876,EMOLS-id_316970565,MCULE-9219712060,PC-id_136557519	329.369	YJQLTAJAEUXYEE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-083942
O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1n[nH]c2c1CCC2	MCULE-5994216681,EMOLS-id_72957431,ZINC22_299742212,PC-id_120425550	329.369	ISECQDLLALNLRS-SJCJKPOMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083943
OC(=O)C1(F)CN(CC1c1ccccc1)Cc1cnc2n1CCC2	MCULE-3926221026,EMOLS-id_318580020	329.369	ZKJIGYQQTQMBOE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083944
OC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)F)Cc1cnc2n1CCC2	EMOLS-id_318656440,MCULE-2426397751	329.369	WOJGWVGHPMPILE-JKSUJKDBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083945
S1(=O)(=O)[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(C)C	PC-id_11359403	329.369	HEGYDUYZGTZGLB-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083946
S1(=O)(=O)C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(C)C	PC-id_72816012	329.369	HEGYDUYZGTZGLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083947
O=C(Oc1ccc(N2CCOC2=O)cc1)c1cc2c(s1)CCC2	MCULE-9464689691,ZINC22_84405247,EMOLS-id_44536544,PC-id_71891844	329.37	MGVSNDLLKYTWOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083948
OC(=O)COC(=S)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_20492840,SCHEMBL11132853	329.37	ADFWESDIYIHDLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083949
OC(=O)COC(=S)C1(CCn2c1ccc2)C(=O)c1ccccc1	PC-id_53956230,SCHEMBL11133204	329.37	JHVSMKCTZJPTAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083950
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)c1ccccc1	PC-id_7291887	329.37	HJBLKRCCKHAACM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083951
c1(c2CCCc2[nH]n1)C(=O)N1CCN(C(C)C1)c1ccc(cn1)F	EMOLS-id_324120686,PC-id_146042650,MCULE-7598582360	329.372	BMEPUFQOIDQMQX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083952
C1(F)(CCN(Cc2c3CCCc3[nH]n2)C1)C(=O)Nc1cccnc1	EMOLS-id_336473208,MCULE-3891416471	329.372	BFYHARSSUOVIMN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083953
CC1CN(CCN1c1ccncc1F)C(=O)c1cn2c(n1)CCC2	EMOLS-id_318886622	329.372	VCGKTKACYIKFRU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083954
CC1CN(CCN1c1ccncc1F)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318827334	329.372	LNEJDTFVVBEVLC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083955
C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1c1ccc(F)cn1	ZINC22_1857679938	329.372	BMEPUFQOIDQMQX-LLVKDONJSA-N	00000010100010101001100010000000000000000000000000000000	25-01-083956
C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1c1ccc(F)cn1	ZINC22_1857679939	329.372	BMEPUFQOIDQMQX-NSHDSACASA-N	00000010100010101001100010000000000000000000000000000000	25-01-083957
CN1CCN(c2ccc(F)cc2C(=O)N2CCn3nccc23)CC1	ZINC22_585081595,EMOLS-id_177201735,MCULE-1263029846	329.372	YFRCMYSTULHDKG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083958
CNC(=O)OCc1c2C[S@](=O)Cn2c(c1COC(=O)NC)C	CoCoCo_5635247,NSC380723,LI_75173	329.372	HXBHARZMXJZQFU-QFIPXVFZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083959
CNC(=O)OCc1c2C[S@@](=O)Cn2c(c1COC(=O)NC)C	CoCoCo_5635248	329.372	HXBHARZMXJZQFU-JOCHJYFZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083960
CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)C[S+]([O-])C2	CHEMBL67935,PC-id_342835	329.372	HXBHARZMXJZQFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-083961
Fc1cccc(c1)C1CCCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_318521456	329.372	VSTWYFXUGUFBDP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083962
Fc1ccc(cc1)C1CCCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_318568549	329.372	LNRREIWQXOTLST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083963
Fc1ccc(c(c1)NC(=O)N1CCn2c1ncc2)N1CCCCC1	EMOLS-id_319983472,MCULE-1585300768	329.372	BAMIGNRSPXFODF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083964
O=C1C(CCCN1c1ccccc1F)NC1CC(n2c1ncn2)C	EMOLS-id_318753084,MCULE-8754032260	329.372	PULGHPXLXTZVKG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083965
O=C(C1NCc2c1c[nH]n2)NC1CCCN(C1)c1cccc(c1)F	EMOLS-id_319667206	329.372	WDLISBFDFLZAMJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083966
O=C(C1NCc2c1c[nH]n2)NC1CCN(CC1)c1cccc(c1)F	MCULE-6773471726,EMOLS-id_319843024	329.372	SCGCJJFNABWNSO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-083967
O=C(C1NCc2c1c[nH]n2)NCC1CCN(C1)c1ccc(cc1)F	EMOLS-id_319573677	329.372	ZPORIUBIRFTGKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083968
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)C1COC1)OC(C)(C)C	PC-id_141411270	329.372	JQBSDONYURQUPL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-083969
O=C(Nc1cccnc1)[C@]1(F)CCN(Cc2n[nH]c3c2CCC3)C1	ZINC22_2086864689	329.372	BFYHARSSUOVIMN-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083970
O=C(Nc1cccnc1)[C@@]1(F)CCN(Cc2n[nH]c3c2CCC3)C1	ZINC22_2086864690	329.372	BFYHARSSUOVIMN-QGZVFWFLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-083971
O=C(NC(c1nnc2n1CCC2)C)N[C@@H]1C[C@H]1c1cccc(c1)F	EMOLS-id_100921596	329.372	NHBDMEYUNSKMAB-INPHSSGZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083972
O=C(NCc1nnc2n1CCC2)NCC1(c2cccc(F)c2)CC1	MCULE-2698870300,ZINC22_89774774,PC-id_71930202,EMOLS-id_45652115	329.372	GUJORGUDPHFOLB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083973
O=C(NCc1nnc2n1CCC2)N(Cc1ccc(F)cc1)C1CC1	EMOLS-id_32005106,MCULE-4208430963,PC-id_51084103,ZINC22_48260648	329.372	JPNFDJGZTJXHSC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-083974
O=C(NCCc1nnc2n1CCC2)NC1(c2ccccc2F)CC1	PC-id_75378400,ZINC22_86429956,MCULE-8885478246,EMOLS-id_48254645	329.372	YFTCTTFMMPOYOZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083975
O=C(NCCc1nnc2n1CCC2)NC1(c2cccc(F)c2)CC1	MCULE-8519296407,PC-id_75378397,ZINC22_86429743,EMOLS-id_48254639	329.372	OUMOSTLGQLACNL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-083976
c1(NC(=O)c2c(OC)cc(=O)n(C)c2)sc2CCCc2c1C#N	ZINC22_225652237,EMOLS-id_53857307,MCULE-4242039432,PC-id_91814058	329.374	SPRMOELCFGCEKR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083977
c1(NC(=O)Cn2c(C)cc(cc2=O)O)sc2c(CCC2)c1C#N	MCULE-7658796316,EMOLS-id_322612079	329.374	SEOMQONYJBVJDI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083978
c1(NC(=O)Cn2cccc(OC)c2=O)sc2c(CCC2)c1C#N	PC-id_84311597,EMOLS-id_180168957,MCULE-5364005421	329.374	OMVKSNHLTCBBKD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-083979
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)CCC	MCULE-1519999217	329.374	HSKPEXZJNPDINH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083980
n12nc(nc1sc(=Cc1ccccc1OC(=O)C)c2=O)CCC	MCULE-3104862203	329.374	ARBXHBPPQMMQSF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083981
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)CCC	MCULE-6878707471	329.374	RLCDERXNENLYDX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-083982
O=C(Nc1nc2c(s1)CCC2)c1cccc(N2CCOC2=O)c1	EMOLS-id_48773687,ZINC22_95949580,PC-id_75415202,MCULE-7149965737	329.374	RODQMFYQUVIADO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083983
s1c2CCCc2cc1C(=O)NN=C(c1ccc([N+](=O)[O-])cc1)C	PC-id_85015484	329.374	YJNGQPMYLFGRMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083984
s1c2CCCc2cc1C(=O)N/N=C(c1ccc([N+](=O)[O-])cc1)/C	PC-id_9462460	329.374	YJNGQPMYLFGRMM-YVLHZVERSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083985
s1c2CCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])c(cc1)C	PC-id_85015396	329.374	PDVULDHPKBBKLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083986
s1c2CCCc2cc1C(=O)NN=C(c1cc([N+](=O)[O-])ccc1)C	PC-id_85015512	329.374	QOMDAJYVBSHCJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083987
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(c(cc1)C)C	PC-id_7238918	329.413	QIMPQTAWPQCGGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084256
s1c2CCCc2cc1C(=O)N/N=C(c1cc([N+](=O)[O-])ccc1)/C	PC-id_9462518	329.374	QOMDAJYVBSHCJM-YVLHZVERSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083988
s1c2CCCc2cc1C(=O)NN=C(c1c([N+](=O)[O-])cccc1)C	PC-id_85015402	329.374	HRBWKOYBDGRBEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083989
s1c2CCCc2cc1C(=O)N/N=C(c1c([N+](=O)[O-])cccc1)/C	PC-id_9462267	329.374	HRBWKOYBDGRBEY-YVLHZVERSA-N	00000010100000110000000010000000000000000000000000000000	25-01-083990
s1c2CCCc2c(c1NC(=O)COC(=O)c1n(ccc1)C)C#N	PC-id_7554232	329.374	DJNVYWCFQZKGKI-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-083991
S1Cc2c(onc2C1)NC(=O)C1CN(C(=O)C1)c1ccccc1	PC-id_49720098	329.374	FSOAKVJMCWOPKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-083992
s1c(C(=O)N2CCOCC2)cc2c1NC(=O)C2=Cc1[nH]ccc1	PC-id_59043165	329.374	SIJZMJPGZSIIIC-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-083993
c12SCCn1cc(CNC(=O)c1ccc(Cn3cccn3)o1)n2	ZINC22_97619320,MCULE-9152278351,PC-id_74241638,EMOLS-id_49662432	329.377	CHNAUIURTSLACH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-083994
c1(C(=O)NCc2cn3c(SCC3)n2)[nH]nc(c2ccc(C)o2)c1	EMOLS-id_44745236,PC-id_70781054,MCULE-1416006339,ZINC22_92022803	329.377	XCSPOTDRNLDPNO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-083995
Cc1nn(CC(=O)Nc2nc3c(s2)CCC3)c(=O)c(C#N)c1C	ZINC22_64032005,MCULE-3415966503,EMOLS-id_313153879	329.377	AUWAQQWVIIFVRT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-083996
C[C@@H]1C[C@@H](NC(=O)N=c2cc(c3cccs3)o[nH]2)c2nccn12	ZINC22_1875296574	329.377	DQKHYJXUDSYWQK-NXEZZACHSA-N	00000010100100000001100010000000000000000000000000000000	25-01-083997
C[C@H]1C[C@H](NC(=O)N=c2cc(c3cccs3)o[nH]2)c2nccn12	ZINC22_1875296575	329.377	DQKHYJXUDSYWQK-UWVGGRQHSA-N	00000010100100000001100010000000000000000000000000000000	25-01-083998
C[C@H]1C[C@@H](NC(=O)N=c2cc(c3cccs3)o[nH]2)c2nccn12	ZINC22_1875296576	329.377	DQKHYJXUDSYWQK-VHSXEESVSA-N	00000010100100000001100010000000000000000000000000000000	25-01-083999
C[C@@H]1C[C@H](NC(=O)N=c2cc(c3cccs3)o[nH]2)c2nccn12	ZINC22_1875296577	329.377	DQKHYJXUDSYWQK-ZJUUUORDSA-N	00000010100100000001100010000000000000000000000000000000	25-01-084000
C[C@@H](NC(=O)c1csc(c2ccoc2)n1)c1nnc2n1CCC2	PC-id_97021671,ZINC22_84667972	329.377	GGCRKBGITJAAMN-SECBINFHSA-N	00000010101000000001100010000000000000000000000000000000	25-01-084001
C[C@H](NC(=O)c1csc(c2ccoc2)n1)c1nnc2n1CCC2	ZINC22_84667971,PC-id_97021670	329.377	GGCRKBGITJAAMN-VIFPVBQESA-N	00000010101000000001100010000000000000000000000000000000	25-01-084002
Cn1cc([C@@H](NC(=O)c2cc3c(s2)CCC3)c2ncon2)cn1	ZINC22_585087848	329.377	WZYNZBLLPROJHS-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084003
Cn1cc([C@H](NC(=O)c2cc3c(s2)CCC3)c2ncon2)cn1	ZINC22_585087849,PC-id_164631935	329.377	WZYNZBLLPROJHS-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084004
Cn1ncc(c1)C(c1ncon1)NC(=O)c1sc2c(c1)CCC2	MCULE-7400938436,EMOLS-id_177300007	329.377	WZYNZBLLPROJHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084005
CN=C(CNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2)N	PC-id_142105685	329.377	DRAIZHXUDAEIBC-UITAMQMPSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084006
N#Cc1c(NC(=O)c2oc(nc2C)CC2CC2)nc2n1CCS2	EMOLS-id_100177868	329.377	HNQQNJGAZNGKES-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-084007
O=C(c1csc(n1)c1cocc1)NC(c1nnc2n1CCC2)C	MCULE-6739306092,PC-id_71878074,EMOLS-id_44566702	329.377	GGCRKBGITJAAMN-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-084008
O=C([C@H]1CC(=O)N(C1)c1ccccc1)Nc1nnc2n1CCS2	CoCoCo_2590548	329.377	FBLKLRAQUNUMMO-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-084009
O=C([C@@H]1CC(=O)N(C1)c1ccccc1)Nc1nnc2n1CCS2	CoCoCo_2590549	329.377	FBLKLRAQUNUMMO-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084010
O=C(NC1CC(n2c1ncc2)C)Nc1noc(c1)c1cccs1	MCULE-6386825298,EMOLS-id_320030863	329.377	DQKHYJXUDSYWQK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-084011
O=C(NCCc1nnc2n1CCC2)c1ncoc1c1cccs1	MCULE-7797081849,EMOLS-id_45648238,PC-id_71932258,ZINC22_89800055	329.377	KPGTUVFJLZMLHM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-084012
s1cc(c2n[nH]c(C(=O)N3Cc4n(ncc4C3)CCO)c2)cc1	PC-id_56739977	329.377	SQIJNRYGROQVGY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-084013
S1CCn2c(NC(=O)C3CN(C(=O)C3)c3ccccc3)nnc12	PC-id_22582988	329.377	FBLKLRAQUNUMMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084014
Cn1cc(c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cn1	ZINC22_45055404,MCULE-1837333769,PC-id_53527002,EMOLS-id_36273293	329.38	LBTPFJSPTQPSJT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084015
CCCc1cc2n(c1C(=O)c1ccco1)CCC2C(=O)OC(C)C	SCHEMBL11663408,PC-id_20356174	329.39	GUCDNBXEYLTAII-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-084016
CCCc1cc2n(c1C(=O)c1ccoc1)CCC2C(=O)OC(C)C	SCHEMBL11663095,PC-id_20356166	329.39	INCXPTARCIXZEI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-084017
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)c1ccccc1	SCHEMBL1004042	329.392	BALDDWFJUZGWOX-QGOAFFKASA-N	00000010100000110000100010000000000000000000000000000000	25-01-084018
COC(=O)c1c(NC(=O)CSCC(=O)O)sc2c1CCC2	PC-id_115569403	329.392	UKHHFMWQIRLNEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084019
C(=O)(Nc1sc2CCCc2c1C#N)C(N)Cc1ccc(cc1)F	MCULE-3150583242,EMOLS-id_328005932	329.392	ZLAWUFVIQRJNQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084020
Fc1ccc(c2cc(CSCc3cc4n(n3)CCC4)on2)cc1	PC-id_146092972,ZINC22_593187129,MCULE-6703308293,EMOLS-id_324057126	329.392	GBRDRFYTXWFOQO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084021
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)Cc1ccccc1	PC-id_58492921	329.392	XJONUKSCHHTXQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084022
O(C(=O)c1[nH]c2CCC(=Cc3cc(ccc3)c3ccccc3)c2c1)C	PC-id_66873447	329.392	BALDDWFJUZGWOX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-084023
OC(=O)C(=C(c1ccc2n1CCC2)c1ccccc1)c1ccccc1	SCHEMBL9458680,PC-id_67856006	329.392	IVKSUTXNUJSJJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084024
OC(=O)C(=C(c1ccccc1)c1ccccc1)c1ccc2n1CCC2	PC-id_140368717	329.392	MPSQKNPLLCJXTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084025
OC(=O)C(=C(c1ccccc1)c1ccccc1)C1CCn2c1ccc2	PC-id_67856007,SCHEMBL9458684	329.392	LBHBXZMADCEASJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084026
OC(=O)C(=C(C1CCn2c1ccc2)c1ccccc1)c1ccccc1	PC-id_140368718	329.392	UKHFYURCBLPOFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084027
S1(=O)(=O)CC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_43172357	329.392	UZIXRRHWQNTRAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084028
c12CN(Cc1nn(CC(C)C)c2CO)C(=O)OCc1ccccc1	EMOLS-id_324349292,MCULE-8138814417	329.394	SECASIAUAZTNIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084029
c1(CN(C)C(=O)Cc2ccc(cc2OC)OC)c2CCCc2[nH]n1	EMOLS-id_55650755,ZINC22_220192880,MCULE-1693036894,PC-id_91776892	329.394	UUDFGILCBADTRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084030
c1(C(=O)Nc2ccc(OCC)c(OCC)c2)c2CCCc2n(C)n1	MCULE-5778874398,PC-id_84466414,EMOLS-id_320479503	329.394	YMWGPKBJUFBDJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084031
c1(C(=O)NCCc2ccc(c(OC)c2)OC)c2CCCc2n(C)n1	PC-id_110389029,EMOLS-id_179745151,MCULE-1148637994	329.394	PEQDDNKSEFRKND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084032
c1(C(=O)NCCc2cc(OC)ccc2OC)c2CCCc2n(C)n1	MCULE-2296037628,EMOLS-id_180404746,PC-id_110678746	329.394	FVIGJTGWBHIHKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084033
CC(C)c1cc(O)cc(CNCc2nn3c(c2C(=O)O)CCC3)c1	ZINC22_2325798341	329.394	QFVJAGQRHVRNDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084034
CC/C(=C/c1c(c2c([nH]1)/C(=C(/C)NC)/C(C2=O)C(=O)OC)C)/N=C	PC-id_134473087	329.394	CYKCEVQGHFIRLQ-JLKXBCQYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084035
CCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1occ2c1CCC2	EMOLS-id_316983011,PC-id_136588222,MCULE-2653347812,ZINC22_900750927	329.394	JXXLXYKJKTYQHQ-GDBMZVCRSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084036
CC(Oc1ccc(cc1)C(CNC(=O)c1n[nH]c2c1CCC2)O)C	PC-id_111422760	329.394	FIJFFXUPSLDDHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084037
CC(=O)CCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109501	329.394	YDIKSINCZRZSEB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-084038
CN(C1CCN(C1)C(=O)c1occ2c1CCC2)Cc1ncoc1C	MCULE-4952181108,EMOLS-id_320027593	329.394	GIJIHMIXDIWELM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084039
CN/C(=C
/[C@@H](C(=O)OC)C(=O)c2c1[nH]c(c2C)/C=C(N=C)/CC)/C	SCHEMBL20111300	329.394	CYKCEVQGHFIRLQ-HJPSETNFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084040
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1N	EMOLS-id_331012270,MCULE-1823933369	329.394	YVQFNKYBYPKXEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084041
COC1(CCN(CC1)C(=O)c1occ2c1CCC2)c1nccn1C	EMOLS-id_319770774	329.394	ARRABYHXTXUZOZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084042
o1c2CN(Cc2nc1C(N)Cc1ccccc1)C(=O)OC(C)(C)C	PC-id_83949367	329.394	HZLDPYKKYGWXSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084043
O=C(Nc1n(nc2c1CCC2)C)c1cc(OCC)c(OCC)cc1	PC-id_45536827	329.394	NGQMJBATTXXQMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084044
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1COCC1	PC-id_92109539	329.394	CUVDVVNXAIDLHK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-084045
O=C(OC(C)(C)C)N[C@@H](c1nc2c([nH]1)COC2C)c1ccccc1	PC-id_113759040	329.394	GINHAISIAJUGFF-JOPIAHFSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084046
C1CC1S(=O)(=O)N1CC(C1)C(=O)Nc1c2CSCc2no1	PC-id_90513564	329.395	PXBAPHCPJZHQMA-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-084047
Fc1ccc(cc1)Cn1ncc2c1CN(C2)Cc1nnc(s1)C	PC-id_118779224,MCULE-5324124494,EMOLS-id_68908733	329.395	RIKUMNKRTXPTPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084048
s1c2c(CCC2)c(c1NS(=O)(=O)N(CCC(=O)O)C)C#N	PC-id_65684712	329.395	HXCKKUVUMJOZDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084049
c1(c2CCCc2n[nH]1)C(=O)N1CCCC(C1)c1onc(C(C)C)n1	MCULE-3196567735,PC-id_119072286,EMOLS-id_82736597	329.397	AFWDWEMUNFLSMU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084050
c1(CN(C)C(=O)CCc2c(C)nc(nc2C)O)c2CCCc2[nH]n1	EMOLS-id_55671255,MCULE-5557695474,ZINC22_222488138,PC-id_91783965	329.397	CFAJXNPNUXYQFZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084051
c1(c[nH]nc1C1CCCCC1)C(=O)N1Cc2c(n(nc2)CCO)C1	EMOLS-id_46043837,ZINC22_91475676,MCULE-2575705547,PC-id_72863681	329.397	CXFMRMBYDCXYHC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084052
c1(=O)nc(C)cc(C)n1CCC(=O)N(C)Cc1[nH]nc2CCCc12	PC-id_46982893,MCULE-2623076223,ZINC22_55036527,EMOLS-id_232792302	329.397	XYRKMYIHTOVUKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084053
CC1CC(c2n1ncn2)NCc1ccnc(c1)OC1CCOCC1	EMOLS-id_316571887,MCULE-4159073873	329.397	DXIHIEZPDRFNGM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-084054
Cc1ccc(CN2Cc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1	EMOLS-id_44325327,PC-id_97461983,ZINC22_96187525	329.397	NTYYQIFKNSQSFP-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084055
Cc1cc(NC(=O)NCc2nnc3n2CCC3)ccc1OC(C)C	PC-id_72117406,ZINC22_76081864,EMOLS-id_43391646,MCULE-9226907219	329.397	AXWNXPREQJZIDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084056
Cc1c[nH]c(n1)C1(CCOCC1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_318851336	329.397	JNZRZLHFFZLURM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084057
Cc1nc(C2(NC(=O)c3n[nH]c4c3CCC4)CCCCCC2)no1	PC-id_71938251,EMOLS-id_45640756,ZINC22_89718180,MCULE-9245208691	329.397	QQEMNASJJLGPAN-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-084058
Cc1nn(cc1NC(=O)c1n(C)nc2c1CCC2)C1CCOCC1	EMOLS-id_319223132	329.397	VSNJDQPJXLJERZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084059
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	MCULE-7127074913,EMOLS-id_316039736,ZINC22_275398844	329.397	AQHRIQVUDBJLKD-BBRMVZONSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084060
Cc1onc(c1)C(=O)N1Cc2c(C1)n(nc2CN1CCCCC1)C	PC-id_97413571	329.397	ZKQCCSMELFJCJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084061
CCc1nnc([C@H]2CCCN(C(=O)c3cc4n(n3)CCC4)[C@H]2C)o1	EMOLS-id_316139362,MCULE-4216637735,ZINC22_952852825	329.397	VVRBEDOFQCMCJN-AAEUAGOBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084062
CCc1nnc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)[C@H]2C)o1	EMOLS-id_316132209,ZINC22_952852604,MCULE-8985062513	329.397	GPPWJQNITOWWAT-QWRGUYRKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084063
CCC(c1ccccc1OC)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_31982162,MCULE-1955711624,PC-id_45827614	329.397	ZJXOZAPPULMVFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084064
CCC(c1ccc(cc1)OC)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_35690252,PC-id_53505598,MCULE-8085136687	329.397	PIYRSRHOELSGJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084065
CC(C)c1nccn1C[C@H]1CCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_377942122	329.397	ACRRGIJECVEWSI-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084066
CC(C)c1nccn1C[C@@H]1CCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_377942123	329.397	ACRRGIJECVEWSI-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084067
CC(C)c1noc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_426658144	329.397	AFWDWEMUNFLSMU-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084068
CC(C)c1noc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_426658145	329.397	AFWDWEMUNFLSMU-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-084069
CCCCOc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319755022	329.397	MBKRJYDIEMGEBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084070
CCC(C(=O)N1Cc2[nH]nc(Nc3cccc(OC)n3)c2C1)(C)C	MCULE-1859870782	329.397	FYMQQUCEUMAJJW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084071
CC[C@@H](C)Oc1ccc(NC(=O)N2Cc3nn(C)c(N)c3C2)cc1	ZINC22_685945004	329.397	NUTOSJYPYINNOM-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084072
CC[C@H](C)Oc1ccc(NC(=O)N2Cc3nn(C)c(N)c3C2)cc1	ZINC22_685945005	329.397	NUTOSJYPYINNOM-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-084073
CC[C@H](NC(=O)NCc1nnc2n1CCC2)c1ccccc1OC	ZINC22_44953135,PC-id_94028929	329.397	ZJXOZAPPULMVFD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084074
CC[C@@H](NC(=O)NCc1nnc2n1CCC2)c1ccccc1OC	ZINC22_44953140,PC-id_94028930	329.397	ZJXOZAPPULMVFD-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084075
CC[C@H](NC(=O)NCc1nnc2n1CCC2)c1ccc(OC)cc1	PC-id_95134267,ZINC22_65447010	329.397	PIYRSRHOELSGJR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084076
CC[C@@H](NC(=O)NCc1nnc2n1CCC2)c1ccc(OC)cc1	ZINC22_65447016,PC-id_95134268	329.397	PIYRSRHOELSGJR-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084077
CC(C)N(C)CC(=O)N1Cc2[nH]nc(COc3cccnc3)c2C1	EMOLS-id_313727185,ZINC22_1565547922	329.397	YMLXUAGHBXUNOP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084078
C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	EMOLS-id_45760588,MCULE-7249640878,PC-id_71876325,ZINC22_89261793	329.397	BZIWGVUEZCLSBU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-084079
CCCOc1ccc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319622642	329.397	CYOYQVGYFSDFQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084080
CCC(Oc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_316976498,MCULE-1423515742	329.397	NUTOSJYPYINNOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084081
CCC(Oc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319066086	329.397	WWRMNNADXCVLEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084082
CC(COc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319277716	329.397	OIRUSKHIILOJLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084083
CCCOc1cc(C)ccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319054892	329.397	CXTJRZVYZKBKNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084084
C[C@@H](c1ccco1)N(C(=O)NCCc1nnc2n1CCC2)C1CC1	PC-id_97222808,ZINC22_95409997	329.397	VINWRJNMHQHGJF-LBPRGKRZSA-N	00100010101000000001000010000000000000000000000000000000	25-01-084085
C[C@H](c1ccco1)N(C(=O)NCCc1nnc2n1CCC2)C1CC1	ZINC22_95409998,PC-id_97222809	329.397	VINWRJNMHQHGJF-GFCCVEGCSA-N	00100010101000000001000010000000000000000000000000000000	25-01-084086
CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cn3c(n2)CCC3)cn1	MCULE-1042380828,ZINC22_585140627,EMOLS-id_313172538	329.397	HUHPUPHAXMUUIS-XJKSGUPXSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084087
CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cnn3c2CCC3)cn1	PC-id_136584140,MCULE-1040750177,ZINC22_1616043800,EMOLS-id_316957450	329.397	LIORTYKPIURMRT-GOEBONIOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084088
CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cn1	MCULE-8376345517,ZINC22_328632720,EMOLS-id_112016080	329.397	SBAVZWKXMJDOQA-GOEBONIOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084089
CCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1cnc2n1CCC2	MCULE-9886976254,EMOLS-id_316981731,ZINC22_900749677,PC-id_136588220	329.397	JWFFBZFQCOSTHD-IUODEOHRSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084090
CCNc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1OC	SCHEMBL20060511,PC-id_134426888	329.397	IILLWVLXWKWMAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084091
CC(NC(=O)N(c1ccc(cc1)OCc1nnc2n1CCC2)C)C	MCULE-2301328767,EMOLS-id_320232553	329.397	ACVAKUFPHCLNSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084092
CC(Oc1ccc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319519830	329.397	FLVVAKUKQSHHON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084093
CC(Oc1cc(ccc1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319808627	329.397	VHALNZQDDVZILF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084094
CC(Oc1ccc(cc1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319863123	329.397	JOVMPGMASAHQNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084095
CCOc1ccc(cc1)C(NC(=O)NCc1nnc2n1CCC2)C	PC-id_53528560,EMOLS-id_36261075,MCULE-9309051874	329.397	XDFQWNMMNHDRIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084096
CCOc1ccc([C@@H](C)NC(=O)NCc2nnc3n2CCC3)cc1	PC-id_94593397,ZINC22_55078847	329.397	XDFQWNMMNHDRIL-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084097
CCOc1ccc([C@H](C)NC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_55078851,PC-id_94593398	329.397	XDFQWNMMNHDRIL-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084098
CCOc1ccc(CN(C)C(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_36627170,ZINC22_55077994,PC-id_52380261,MCULE-5833865052	329.397	QYHWCYUNXRDBLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084099
CC(OCc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319363670	329.397	LHJMCACBHASUBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084100
CC(OCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319513736	329.397	FAUZBCDZXOMKOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084101
CCOCc1ccccc1NC(=O)NCCc1nnc2n1CCC2	EMOLS-id_42926953,MCULE-2365126680,ZINC22_72314315,PC-id_72104305	329.397	MHQKTERHFKVBSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084102
CCOCc1ccc(CNC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_48372597,MCULE-6526811460,PC-id_52303588,EMOLS-id_36636501	329.397	SIWCCIIUPFSIPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084103
CC(=O)N(Cc1nn(c2c1CN(C2)C(=O)c1ccc[nH]1)C(C)C)C	PC-id_97519233	329.397	XYQKVEKFNZTUCX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-084104
CN1CCN(CC1)C(=O)c1nn(c2c1CN(C2)Cc1cocc1)C	PC-id_97411489	329.397	CDZULEFXPUJIJT-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084105
CN1CCN(CC1)C(=O)c1nn(C)c2CN(Cc3ccco3)Cc12	ZINC22_96187558,EMOLS-id_44325415,PC-id_97462016	329.397	FLOZVASOPMMLCH-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084106
Cn1nc2c(c1C(=O)N[C@@H]1C[C@@H](Cn3cccn3)C[C@H]1O)CCC2	ZINC22_2325785953	329.397	VRXXMTINQFBRAL-KCPJHIHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084107
Cn1nc2c(c1C(=O)N[C@@H]1C[C@H](Cn3cccn3)C[C@H]1O)CCC2	ZINC22_2325785954	329.397	VRXXMTINQFBRAL-NILFDRSVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084108
CN(C1CCN(C1)C(=O)c1cn2c(n1)CCC2)Cc1ncoc1C	EMOLS-id_319176601	329.397	XNXNUCUBPXFOIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084109
CN(C1CCN(C1)C(=O)c1nn2c(c1)CCC2)Cc1ncoc1C	EMOLS-id_320108036,MCULE-7162771134	329.397	AVPVRNGHGVNZSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084110
COc1cccc(c1)NC(=O)NC(c1nnc2n1CCC2)C(C)C	PC-id_53597412,EMOLS-id_36704492,MCULE-7914340792	329.397	JLHJKPCVQFCMPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084111
COc1cc(C)c(c(c1C)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319530994	329.397	RDCHUIAFOOMQHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084112
COc1ccc(CNC(=O)NCCc2nnc3n2CCC3)cc1C	EMOLS-id_49103164,ZINC22_86390024,PC-id_71972728,MCULE-1736752318	329.397	NKLZMNKIAKKJDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084113
COc1cccc(NC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)c1	PC-id_95318714,ZINC22_69704983	329.397	JLHJKPCVQFCMPE-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084114
COc1cccc(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1	PC-id_95318715,ZINC22_69704984	329.397	JLHJKPCVQFCMPE-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084115
COc1c(C)cnc(c1C)CN(C(=O)NC1CCn2c1ncc2)C	EMOLS-id_318883247	329.397	ADHVEDWLFCKXKK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084116
COC1(CCN(CC1)C(=O)c1n[nH]c2c1CCC2)c1nccn1C	EMOLS-id_319588560	329.397	RWPXXLNJFHBKNR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084117
COCc1cccc(c1)CNC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_45648314,MCULE-8669527224,PC-id_71932219	329.397	SQBIPEASIQLPFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084118
COCc1cccc(CNC(=O)N[C@@H](C)c2nnc3n2CCC3)c1	ZINC22_89913809,PC-id_97089734	329.397	SQBIPEASIQLPFG-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084119
COCc1cccc(CNC(=O)N[C@H](C)c2nnc3n2CCC3)c1	ZINC22_89913810,PC-id_97089735	329.397	SQBIPEASIQLPFG-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084120
o1c(C(N(C2CC2)C(=O)NCCc2n3CCCc3nn2)C)ccc1	PC-id_75425421,EMOLS-id_48254635,MCULE-5955133814	329.397	VINWRJNMHQHGJF-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-084121
O(c1c(NC(=O)NCc2n3CCCc3nn2)ccc(c1)C)CCC	PC-id_60487286	329.397	PYIZFQTVJHRYLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084122
O=C(c1cccn1CCN1CCOCC1)N1Cc2c(C1)cnn2C	EMOLS-id_319580032	329.397	HAZONZUAKPZFBZ-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-084123
O=C(c1cccn1CCN1CCOCC1)NC1CCn2c1ncc2	EMOLS-id_319228472	329.397	HHYVNKZVFVAKBO-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-084124
O=C(c1ccc(o1)CN1CCCCC1)NC1CC(n2c1ncn2)C	MCULE-7785833310,EMOLS-id_319863538	329.397	RUHCMHQRXDYSQX-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084125
O=C(c1c(C)nc([nH]c1=O)C(C)(C)C)NCc1cnc2n1CCC2	EMOLS-id_319029400	329.397	HLKHHRUKUASIHF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084126
O=C(c1cc(nn1C)C1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319480265	329.397	OSBYYSYZVHMPDD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084127
O=C(c1cn(nc1C)C1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319282696	329.397	WJWBCPSVLGUOOO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084128
O=C(c1n(C)nc2c1CCC2)N1CCN(CC1)Cc1ncoc1C	EMOLS-id_319828747	329.397	RYWZXYXPFCFXIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084129
O=C(c1nn(c(c1)C)C1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318807769	329.397	TVWBLUZPJIBRMV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084130
O=C(c1nn(cc1C)C1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319442329	329.397	KOOLCNJGOSKDNV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084131
OCC(c1ccc(cc1)CC)NC(=O)NCc1nnc2n1CCC2	PC-id_109379629	329.397	LCOFXLVCRJJOFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084132
OC(Cc1ccccc1)CNC(=O)NCCc1nnc2n1CCC2	PC-id_112045974	329.397	ZBWHARJMBVDZOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084133
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC	SCHEMBL19312151	329.397	BICUIMXHUZPADT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084134
O(CC(C)C)c1c(NC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_60488395	329.397	LPIIDOLIHPZIPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084135
O=C([C@@H]1CCCO[C@H]1c1ccnn1C)NCc1cnc2n1CCC2	EMOLS-id_319781223	329.397	BAWSVTIQHXECDX-CZUORRHYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084136
O(CCN(C(=O)NCc1n2CCCc2nn1)C)c1ccc(cc1)C	PC-id_52380258	329.397	YPNJHCAHRPGCSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084137
OCCN(C(=O)NCCc1nnc2n1CCC2)Cc1ccccc1	PC-id_112046000	329.397	MGXDESHVPXZAPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084138
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1OC(C)(C)C	EMOLS-id_319436132	329.397	GTEDINIGOKMJPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084139
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)OC(C)(C)C	EMOLS-id_319608215	329.397	QYAGEFXKHQYWDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084140
O=C(N1CCCC1Cn1ccnc1C(C)C)c1nn2c(c1)OCC2	MCULE-8324199060,EMOLS-id_179025966	329.397	ACRRGIJECVEWSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084141
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1c[nH]c(=O)[nH]1	PC-id_92109895	329.397	JNBCRVXJQQVBNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084142
O=C(NCc1n2CCCc2nn1)C1CCCN(C1)Cc1occc1	PC-id_72898108	329.397	JPMFROHYNSJVTL-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084143
O=C(NCC(c1ccccc1C)O)NCCc1nnc2n1CCC2	PC-id_112045995	329.397	ZEHKENUYALTWPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084144
O=C(NCC(c1ccc(cc1)C)O)NCCc1nnc2n1CCC2	PC-id_112046041	329.397	HAZYRRXBSOOBCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084145
O=C(NCC(c1cccc(c1)C)O)NCCc1nnc2n1CCC2	PC-id_112348131	329.397	UBSNCMQITXMTBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084146
O=C(NCC(c1ccccc1)(O)C)NCCc1nnc2n1CCC2	PC-id_112046004	329.397	FWVVUBUAKHZWPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084147
O=C(NCCc1nnc2n1CCC2)NCCC(c1ccccc1)O	PC-id_112046037	329.397	ODCKNPVUEOQTGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084148
S1Cc2c(noc2NC(=O)c2nc(sc2)c2ccccc2)C1	PC-id_45505343	329.397	MAJONNDIJAEMLO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084149
Cc1ccc(cc1)N=C1C(=Nc2ccc(cc2)C)N(c2n1ccn2)C	PC-id_101124020	329.398	KHHXFVVWNWSHQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084150
CN(c1ccccc1)c1ccc(cc1)C=c1c(C)nn2c1nnc2C	SCHEMBL13760756,PC-id_54356559	329.398	UJMYDFQFOXEFOG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084151
n12nc(cc1N=C(Nc1ccc(cc1)C)/C/2=N/c1ccc(cc1)C)C	PC-id_11034859	329.398	SKAQHNLEFIEKFC-XDOYNYLZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-084152
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1sc(=O)[nH]c1C	PC-id_60716102	329.398	ZRWBHYIHNHWRFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084153
S(=O)(=O)(NC(c1n2CCCc2nn1)C)c1sc(=O)[nH]c1C	PC-id_61275211	329.398	OAMVLODJXDQCST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084154
c1(N2CCOCC2)nc(CC)cc(NCc2nnc3CCCn23)n1	ZINC22_65408669,PC-id_50966343,MCULE-8119536537,EMOLS-id_32402600	329.4	YYBZOZPDIJDFMF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084155
Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3nnc4n3CCC4)C2)n1	ZINC22_426519315	329.4	UDMDKAZJIFKISK-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084156
Cc1cc(C)n([C@H]2CCN(C(=O)NCc3nnc4n3CCC4)C2)n1	ZINC22_426519317	329.4	UDMDKAZJIFKISK-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084157
Cc1cc(C)n(n1)C1CCN(C1)C(=O)NCc1nnc2CCCn12	EMOLS-id_177436418,MCULE-4505997364,PC-id_121504234	329.4	UDMDKAZJIFKISK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084158
C[C@H]1C[C@@H](NC(=O)c2cnc(C3CCN(C)CC3)[nH]2)c2ncnn12	ZINC22_685942531	329.4	SGBLCFQXKOMGKP-CMPLNLGQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084159
C[C@H]1C[C@H](NC(=O)c2cnc(C3CCN(C)CC3)[nH]2)c2ncnn12	ZINC22_685942535	329.4	SGBLCFQXKOMGKP-JQWIXIFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084160
C[C@@H]1C[C@H](NC(=O)c2cnc(C3CCN(C)CC3)[nH]2)c2ncnn12	ZINC22_685942536	329.4	SGBLCFQXKOMGKP-PWSUYJOCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084161
C[C@@H]1C[C@@H](NC(=O)c2cnc(C3CCN(C)CC3)[nH]2)c2ncnn12	ZINC22_685942537	329.4	SGBLCFQXKOMGKP-ZYHUDNBSSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084162
CN1CCC(CC1)c1[nH]cc(n1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316124829,MCULE-3358562071	329.4	SGBLCFQXKOMGKP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084163
CN=c1nc(N2C[C@H](OC)[C@H](N[C@@H]3CCn4ccnc34)C2)cc[nH]1	ZINC22_1875400012	329.4	OZNTVZDVTUDOJX-UPJWGTAASA-N	00000010100000100001100010000000000000000000000000000000	25-01-084164
CN=c1nc(N2C[C@H](OC)[C@H](N[C@H]3CCn4ccnc34)C2)cc[nH]1	ZINC22_1875400013	329.4	OZNTVZDVTUDOJX-XQQFMLRXSA-N	00000010100000100001100010000000000000000000000000000000	25-01-084165
CN(Cc1nnc2n1CCC2)C(=O)NCc1cccnc1N(C)C	EMOLS-id_45754110,MCULE-1922624262,ZINC22_89322865,PC-id_71893177	329.4	LAUBUUMNDFDSTC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084166
CN(Cc1nnc2n1CCC2)C(=O)NCc1ccnc(N(C)C)c1	EMOLS-id_45754102,ZINC22_89322999,MCULE-7656736392,PC-id_71893183	329.4	DUWCFFRSCIKOSS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084167
COCc1nc(cc(n1)NCc1nnc2n1CCC2)C1CC(C1)N	PC-id_91781191	329.4	JBRKJQKQAGBYLY-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-084168
COCc1nc(NCc2nnc3CCCn23)cc(n1)[C@@H]1C[C@H](N)C1	EMOLS-id_55663299,MCULE-9929099971,ZINC22_240163531	329.4	JBRKJQKQAGBYLY-PHIMTYICSA-N	00001010100000100001100010000000000000000000000000000000	25-01-084169
CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NCc1cnc2n1CCC2	MCULE-4949804152,EMOLS-id_323993310,ZINC22_1875398040,PC-id_146112146	329.4	YOTABALXKJVLIX-QWHCGFSZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-084170
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cc(cc1)C)C	PC-id_7238952	329.413	YMXPHLPRWXYUEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084257
CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NCc1cnn2c1CCC2	ZINC22_2325785223	329.4	KTRBMAHSVQFPEW-GXTWGEPZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-084171
CO[C@H]1CN(C[C@H]1NC1CCn2c1ncc2)c1ccnc(n1)NC	MCULE-4704274948,EMOLS-id_324005076,PC-id_146112371	329.4	OZNTVZDVTUDOJX-HDYSRYHKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-084172
n1(nccc1C1CCCNC1)CC(=O)NCc1nnc2CCCn12	MCULE-8071863722,PC-id_119062556,EMOLS-id_82710555	329.4	ZNHCHOJRGRPLMU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084173
Nc1c(C(=O)NCc2nnc3n2CCC3)cnn1C1CCCCC1	PC-id_75397487,MCULE-1060795572,ZINC22_95455144,EMOLS-id_48308682	329.4	HEEUPYISAWCEGI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084174
O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1nnc2n1CCC2	ZINC22_426429903	329.4	ZNHCHOJRGRPLMU-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084175
O=C(Cn1nccc1[C@H]1CCCNC1)NCc1nnc2n1CCC2	ZINC22_426429907	329.4	ZNHCHOJRGRPLMU-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084176
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccn(n1)C1CCCCC1	EMOLS-id_319038523	329.4	PMMMLUBOGBTHND-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084177
O=C(N1CCC[C@H]1Cc1ccnn1C)NC1CC(n2c1ncn2)C	EMOLS-id_318993464	329.4	OCHWAUVMARIYCM-QRMWWUJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084178
O=C(NC1CC(n2c1ncc2)C)Nc1ncn(n1)C1CCCCC1	EMOLS-id_101388982	329.4	KNWOZDWWSDBDAZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084179
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCC1CC(C1)(F)F	EMOLS-id_102010869	329.409	UFXAYLPIVMZURG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-084180
Fc1cccc(c1)C1(CCOCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_318494135,MCULE-1631486611	329.412	GOJDCLFMOUAZFG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084181
Fc1ccc(cc1)C1(CCOCC1)CNC1CC(n2c1ncc2)C	MCULE-6183969861,EMOLS-id_318361652	329.412	LLUXSPCZHKKGRI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084182
Fc1ccc(cc1)C1OCCC(C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318132882,MCULE-5615524652	329.412	ZPHHSAWVUQFKAM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084183
Fc1ccc(cc1)CC1(CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318174567	329.412	CDVAZFJGHVIAPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-084184
Fc1ccc(cc1)C(NC1CC(n2c1ncc2)C)CC1COCC1	EMOLS-id_318012313	329.412	GVKBOMJGGHMWKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084185
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)C(CCCC)C)cc1	PC-id_56754137	329.412	CVLAKUNVLXANCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084186
OCC1(CNC(c2nn3c(c2)CCC3)C)CC1c1ccc(cc1)F	EMOLS-id_318304079	329.412	SDCFVBRSUOAIHI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-084187
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)OC(C)C	MCULE-4353264883,CoCoCo_5832975,TIMTEC222771,PC-id_841605,EMOLS-id_4010984,ZINC22_371684	329.413	IQHRMTMCKBIZFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084188
c1(N=Cc2cc(C)ccc2O)sc2c(CCC2)c1C(=O)OCC	MCULE-3439879689	329.413	OVSOJKOFUCGLGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084189
c1(NC(=O)c2ccc(cc2)CC)sc2c(CCC2)c1C(=O)OC	MCULE-9238212282,PC-id_19225842	329.413	ZCSANBUATUGXCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084190
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)OCC	ZINC22_172991,MCULE-8807071003,PC-id_738738,EMOLS-id_4928893,CoCoCo_4966744	329.413	IEVFBTVQSSXXCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084191
c1(NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_45193,BAS-00572133,MCULE-7857343678,CoCoCo_96903,EMOLS-id_1132726,PC-id_680575	329.413	ISOGNOYRELWJSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084192
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)OC	ZINC22_98198,MCULE-6773408775,PC-id_708974,TIMTEC343469,CoCoCo_5816728,EMOLS-id_1871580	329.413	NUVOMXSEIPWASV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084193
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AE-848/37018298,PC-id_738734,MCULE-2842737151,CoCoCo_116694,STOCK1S-82285,EMOLS-id_1260838,ZINC22_172982,TIMTEC29715	329.413	ADAWOTHFPWFWML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084194
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-7912236799,Chemmine_6530,EMOLS-id_648302,ZINC22_94939,PC-id_707535,SPECS-id_AE-848/11146020,CoCoCo_665832	329.413	ZBXYRTPFEXLFNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084195
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AN-153/I133052,CoCoCo_5040861,MCULE-3368470898,SPECS-id_AT-084/J162346,ZINC22_38884,SPECS-id_AN-329/12986004,EMOLS-id_2167087,PC-id_675987	329.413	GZHUAHZWAYDYSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084196
Cc1ccc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1	EMOLS-id_11809108,PC-id_7238948,ZINC22_4462499,CoCoCo_2840970,MCULE-1397377520	329.413	HFMMAGKQXKYDBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084197
Cc1cc(C)cc(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1	PC-id_4855172,ZINC22_5308659,EMOLS-id_2881046,CoCoCo_2840958,MCULE-6497355935	329.413	YZPAOCHYOUJCLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084198
Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc2c(s1)CCC2	EMOLS-id_44533481,MCULE-9228618149,ZINC22_84187926,PC-id_71893673	329.413	YJJWAWBNUAQEOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084199
CCc1cc2n(c1C(=O)c1cccs1)CC=C2C(=O)OC(C)C	PC-id_70629175,SCHEMBL11662204	329.413	RHERGFMSCIGVEV-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-084200
CCc1ccc(C(=O)c2c(SC)cc3n2CCC3C(=O)O)cc1	CHEMBL19729,PC-id_13687505,SCHEMBL10812857	329.413	KRPNGZFFKMDWAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084201
CCC(c1ccccc1)(C(=O)O)NC(=O)c1sc2c(c1)CCC2	MCULE-9588685060,EMOLS-id_72234053,PC-id_119201711	329.413	CCWCUYAMESOUOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084202
CCCCc1cc2n(c1C(=O)c1sccc1C)CC=C2C(=O)O	PC-id_70627856,SCHEMBL11654555	329.413	KQEWLXPXVYTDCM-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-084203
CC(C(=O)NCc1ccccc1)OC(=O)c1sc2c(c1)CCC2	EMOLS-id_30673536,MCULE-9054359698,PC-id_18080515	329.413	GCKMXKJEURYRDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084204
CC(C(=O)O)Cc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	MCULE-2246740159,EMOLS-id_57660907,PC-id_120540856	329.413	OVQZJPDXLDRLOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084205
CCCSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11443435,PC-id_23333052	329.413	AOLNVMBBWLHHAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084206
CCCSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL11443436,PC-id_70587150	329.413	IUJFMPSOSIRZKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084207
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCc1ccccc1	PC-id_7238815,ZINC22_4462299	329.413	GCKMXKJEURYRDV-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084208
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCc1ccccc1	PC-id_7238816,ZINC22_4462300	329.413	GCKMXKJEURYRDV-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084209
CC(N(C(=O)c1sc2c(c1)CCC2)Cc1ccccc1)C(=O)O	EMOLS-id_72604517,MCULE-5188758267,PC-id_121947774	329.413	UQJCMQBRWVPZFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084210
CCN(C(=O)COC(=O)c1cc2c(s1)CCC2)c1ccccc1	ZINC22_2650043,PC-id_2113187,CoCoCo_2840988,MCULE-7164442613,EMOLS-id_3194854	329.413	IEMADDMZCPPAOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084211
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(C)ccc1O	EMOLS-id_26257318,TIMTEC367468,STOCK1S-77513,PC-id_135517056,ZINC22_100720089	329.413	OVSOJKOFUCGLGX-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084212
CCOC(=O)c1c2CCCc2sc1/N=C/c1ccc(C)cc1O	STOCK3S-19148,CoCoCo_3725039,EMOLS-id_26164654,PC-id_135517095,ZINC22_13126223,TIMTEC262322	329.413	KIHKDXASBNNIJX-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084213
CCOC(=O)c1c2c(CCC2)sc1N=Cc1c(O)cc(C)cc1	MCULE-8000204004,EMOLS-id_300271444,ChEMBL-DNDi_CHEMBL1478295	329.413	KIHKDXASBNNIJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084214
CCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)SC	PC-id_70588593,SCHEMBL11451493	329.413	IJUWVMRWLAIFJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084215
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	SCHEMBL10814035,PC-id_20235085	329.413	LHJLFDKSOVOVFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084216
CCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)SC	SCHEMBL11451492,PC-id_23333064	329.413	AOQMPCMCRWMBHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084217
CCOC(=O)c1c(/N=Cc2ccc(cc2O)C)sc2c1CCC2	CoCoCo_3725040	329.413	KIHKDXASBNNIJX-GRSHGNNSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084218
CCOC(=O)c1c(/N=Cc2ccc(cc2)OC)sc2c1CCC2	CoCoCo_6384147	329.413	LWPUKEVOUJCNAZ-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084219
CCOC(=O)c1c(/N=C/c2ccc(cc2)OC)sc2c1CCC2	PC-id_9659384,CoCoCo_6384146	329.413	LWPUKEVOUJCNAZ-YBFXNURJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084220
CCOC(=O)c1c(NCC(=O)c2ccccc2)sc2c1CCC2	PC-id_110825149	329.413	VLBAYMPYUASYSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084221
CCSc1ccccc1C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_23333070,SCHEMBL11437842	329.413	JTOJXYNRQCWCKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084222
CCSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_23333071,SCHEMBL11443423	329.413	WUTQXFUBOIWSEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084223
CCSc1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)OC	SCHEMBL11442218,PC-id_23333120	329.413	QNRBHDSPUFNJAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084224
CC(Sc1ccccc1C(=O)c1ccc2n1CCC2C(=O)O)C	SCHEMBL11442306,PC-id_23333114	329.413	TUGBYABJXYFVCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084225
CC(Sc1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O)C	SCHEMBL11451553,PC-id_23333050	329.413	PSVXRTAMVNSNTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084226
CC(Sc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O)C	PC-id_70586893,SCHEMBL11442307	329.413	VOHCCAGBIBVNCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084227
CCSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	SCHEMBL11437845,PC-id_70585975	329.413	ALIQOHISPLRTDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084228
CN(Cc1ccccc1)C(=O)COC(=O)c1cc2c(s1)CCC2	EMOLS-id_31303712,PC-id_47003754,ZINC22_57401416,MCULE-7032289735	329.413	CZEWCIDPQOYOFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084229
CN(C)C(=O)[C@H](OC(=O)c1cc2c(s1)CCC2)c1ccccc1	CoCoCo_4014907,ZINC22_6843019,PC-id_8095841	329.413	JMQLSWBSJQTBSQ-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084230
CN(C)C(=O)[C@@H](OC(=O)c1cc2c(s1)CCC2)c1ccccc1	PC-id_8095842,CoCoCo_4014908,ZINC22_6843021	329.413	JMQLSWBSJQTBSQ-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084231
CN(C(=O)C(c1ccccc1)OC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_23981952,PC-id_18199063,MCULE-1525164693	329.413	JMQLSWBSJQTBSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084232
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C)SC	SCHEMBL10811152,PC-id_13687498	329.413	CNRRRHNESIFCGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084233
COC(=O)c1c(NC(=O)c2cc(C)cc(C)c2)sc2c1CCC2	CoCoCo_3314593,PC-id_2556305,EMOLS-id_43840882,ZINC22_3436489,MCULE-1572286526	329.413	UMAWAQZDVCGGLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084234
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCC2	PC-id_7987109,ZINC22_6509304,CoCoCo_3645910	329.413	INJGDBVTMTYPRZ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084235
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCC2	ZINC22_6509305,CoCoCo_3645911,PC-id_7987110	329.413	INJGDBVTMTYPRZ-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084236
COC(=O)C(NC(=O)c1sc2c(c1)CCC2)Cc1ccccc1	MCULE-2236346293,PC-id_4791680,EMOLS-id_3688760	329.413	INJGDBVTMTYPRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084237
CSc1cc2n(c1C(=O)c1ccc(cc1)C)CCC2(C)C(=O)O	SCHEMBL10816837,PC-id_70450270	329.413	ASWYBSOTHAUNPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084238
O=C(c1ccccc1)Nc1sc2c(c1C(=O)O)C(CC2(C)C)C	SCHEMBL21247310,PC-id_139391494	329.413	UMGUMBIGGDJKFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084239
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)C(C(=O)O)(C)C	EMOLS-id_71447786,PC-id_119253877,MCULE-3337557748	329.413	ITYCLNDUFYHQMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084240
O=C(c1sc2c(c1)CCC2)NCC(c1ccccc1)(C(=O)O)C	EMOLS-id_57921488,MCULE-1284432074,PC-id_120701246	329.413	SFVLEQDXOMFZPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084241
O=C(c1sc2c(c1)CCC2)NC(C(C(=O)O)C)c1ccccc1	EMOLS-id_52164837,PC-id_119218664,MCULE-5149353178	329.413	OXSQOQGKCYQRCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084242
O=C(c1sc2c(c1)CCC2)NCC(C(=O)O)Cc1ccccc1	PC-id_119233464	329.413	YDINXVFZARFHIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084243
OCCCOC(=S)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL11132580,PC-id_20492847	329.413	MQBALQNBBHUJKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084244
O=C(COC(=O)c1cc2c(s1)CCC2)NCCc1ccccc1	EMOLS-id_3193211,PC-id_2091667,ZINC22_2629282,CoCoCo_2840979,MCULE-5476565356	329.413	BEGRABNESXHAME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084245
O=C(N(C(C(=O)O)Cc1ccccc1)C)c1sc2c(c1)CCC2	EMOLS-id_72454258,MCULE-4891037724,PC-id_121871057	329.413	GYUSCAQLJIZZCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084246
OC(=O)C1CCc2c1sc(c2C(=O)c1ccc(cc1)N(C)C)C	SCHEMBL10743084,PC-id_13787412	329.413	BXLGTJKHLPBWOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084247
OC(=O)CC(c1ccccc1C)NC(=O)c1sc2c(c1)CCC2	PC-id_120214106	329.413	JZUFUHYBEWCNJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084248
OC(=O)CCC(c1ccccc1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_51193406,PC-id_119200975,MCULE-6379491338	329.413	QQYVNYZQDJRVBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084249
OC(=O)CN(C(=O)c1sc2c(c1)CCC2)CCc1ccccc1	PC-id_119347486,EMOLS-id_52481910,MCULE-7347637561	329.413	YORUVWWJVWXWHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084250
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(cc1)C)C	PC-id_16505600	329.413	JHRYTIOSWRSFGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084251
s1c2CCCc2cc1C(=O)OC(C(=O)N(c1ccccc1)C)C	PC-id_18080401	329.413	WDKMGJKRCJCPKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084252
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc(ccc1)C)C	PC-id_45637939	329.413	KKKKMUXEFNQCNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084253
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cccc1C)C	PC-id_7291953	329.413	MIUSSQNZLYHEGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084258
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(CC)cccc1	PC-id_7291961	329.413	XQHLYERFIPEDDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084259
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(CC)ccc1	PC-id_7623564	329.413	MGZRGVAXIQKROQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084260
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(CC)cc1	PC-id_7623854	329.413	SKCAPXSRMQMREF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084261
s1c2CCCc2cc1C(=O)OCC(=O)NCc1ccc(cc1)C	PC-id_16505615	329.413	JTYFNTICIKYTJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084262
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1ccccc1)C	PC-id_16505649	329.413	YLAIXIBQSVTUAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084263
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](c1ccccc1)C	PC-id_7291969	329.413	YLAIXIBQSVTUAE-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084264
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](c1ccccc1)C	PC-id_7291970	329.413	YLAIXIBQSVTUAE-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084265
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(cc1)C)C	PC-id_7238754	329.413	JHRYTIOSWRSFGZ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084266
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(cc1)C)C	PC-id_7238755	329.413	JHRYTIOSWRSFGZ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084267
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(ccc1)C)C	PC-id_7238851	329.413	KKKKMUXEFNQCNA-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084268
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(ccc1)C)C	PC-id_7238855	329.413	KKKKMUXEFNQCNA-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084269
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N(c1ccccc1)C)C	PC-id_7291909	329.413	WDKMGJKRCJCPKD-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084270
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N(c1ccccc1)C)C	PC-id_7291911	329.413	WDKMGJKRCJCPKD-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084271
s1c2c(CCC2)c(c1N/C=C/1C=C(C=CC1=O)C)C(=O)OCC	PC-id_5418852	329.413	STJFQZCWZYLFNY-ZRDIBKRKSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084272
s1c2c(CCC2)c(c1N/C=C
/C=C(C=CC1=O)C)C(=O)OCC	PC-id_6538227	329.413	STJFQZCWZYLFNY-BENRWUELSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084273
s1c2c(CCC2)c(c1NC=C1C=C(C=CC1=O)C)C(=O)OCC	PC-id_6746505	329.413	STJFQZCWZYLFNY-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084274
s1c2c(CCC2)c(c1N=Cc1ccc(OC)cc1)C(=O)OCC	PC-id_4364249	329.413	LWPUKEVOUJCNAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084275
s1c2CCCc2c(c1N=Cc1ccc(OCC)cc1)C(=O)OC	PC-id_23962254	329.413	GIRVEESDEJOCLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084276
s1c2c(CCC2)c(c1N/C=C
/C(=O)C=C(C=C1)C)C(=O)OCC	PC-id_5424850	329.413	NZKOKEJMXFJWST-ZRDIBKRKSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084277
s1c2c(CCC2)c(c1N/C=C/1C(=O)C=C(C=C1)C)C(=O)OCC	PC-id_5611698	329.413	NZKOKEJMXFJWST-BENRWUELSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084278
s1c2c(CCC2)c(c1NC=C1C(=O)C=C(C=C1)C)C(=O)OCC	PC-id_6748125	329.413	NZKOKEJMXFJWST-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084279
s1c2c(CCC2)c(c1N=Cc1c(OC)cccc1)C(=O)OCC	PC-id_24152487	329.413	WIHOAUZPXHFYHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084280
s1c2CCCc2c(c1N=Cc1c(OCC)cccc1)C(=O)OC	PC-id_23825920	329.413	JYBVIONYDLOCOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084281
s1c2c(CCC2)c(c1NC(=O)c1c(cc(cc1)C)C)C(=O)OC	PC-id_4136579	329.413	HBIVTPZGIQKHAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084282
s1c2c(CCC2)c(c1NC(=O)c1c(ccc(c1)C)C)C(=O)OC	PC-id_5045661	329.413	QBPIKJAHGHBMPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084283
s1c2c(CCC2)c(c1NC(=O)Cc1c(cccc1)C)C(=O)OC	PC-id_26163268	329.413	MACNKEAWUFXCNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084284
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)C)C(=O)OC	PC-id_41616323	329.413	WVEYYHMBJRMAQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084285
S(=O)(=O)(n1c2c(CCC2=O)cc1CCC=C)c1ccc(cc1)C	PC-id_11056574	329.413	MBGMKTONIUKFSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084286
CC1CC(c2n1ncn2)NC1CCN(CC1)Cc1ccc(cc1)F	MCULE-1334844586,EMOLS-id_318543913	329.415	KMMCYMREEIHPEX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-084287
Cc1cc(F)ccc1N1CCC(CC1)NCc1nnc2CCCn12	MCULE-4901848777,ZINC22_1506412234,EMOLS-id_316268080	329.415	AUFJAFKNNXKRHB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084288
CCn1c2CN(Cc2nc1S(=O)(=O)CC)C(=O)OC(C)(C)C	PC-id_118613831,SCHEMBL17380087	329.415	WIAOHNYMLUSAAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084289
Fc1ccc(c(c1)C)N1CCCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318757796,MCULE-1583404570	329.415	YBSYNDBKIAIMAA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084290
O=C(N1Cc2c(C1)nc(n2C(C)C)S(=O)(=O)C)OC(C)(C)C	SCHEMBL17380913,PC-id_118614632	329.415	LKBRAGZRZGIXHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084291
O=C(N1Cc2c(C1)nc(n2C)S(=O)(=O)C(C)C)OC(C)(C)C	PC-id_118614038,SCHEMBL17380303	329.415	IOQUTJSSHITESQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084292
O=S(=O)(CC1COCC(O1)(C)C)NCc1nn2c(c1)CCC2	EMOLS-id_319021221	329.415	IKGZTIHZWPOGOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084293
s1c2c(CCC2)c(c1NS(=O)(=O)c1sccc1)C(=O)O	PC-id_43145466	329.415	IKOOQLXEVDGFEJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-084294
c12SCCn1cc(CNC(=O)c1cccc(c1)OCC(=C)C)n2	MCULE-8352389591,PC-id_46997845,ZINC22_55386003,EMOLS-id_31623803	329.417	DDHLYMFQWYQBHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084295
c1(NC(=O)C=Cc2ccc(cc2)OCC)n(C)nc2CSCc12	MCULE-5002719879	329.417	MNDHNMFACMORAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084296
c1(NC(=O)NCCc2ccccc2)sc2c(CCC2)c1C(=O)N	STOCK6S-12417,PC-id_8069911,EMOLS-id_4743217,ZINC22_6755947,MCULE-6861646432,CoCoCo_1105712	329.417	NKTOUFZKGPVBCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084297
CC1C=Cc2c1c(c[nH]2)CC(C(=O)NS(=O)c1ccccc1)N	SCHEMBL20048722,PC-id_134416233	329.417	HPGCGLOHFHEFFN-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-084298
Cc1cccc(c1)C(=O)NC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_51108439,EMOLS-id_33325211,MCULE-1467192903	329.417	WHXBQJKNDKJIRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084299
Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2nc3c(s2)CCC3)c1	PC-id_94819754,ZINC22_58356211	329.417	WHXBQJKNDKJIRC-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084300
Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2nc3c(s2)CCC3)c1	ZINC22_58356210,PC-id_94819753	329.417	WHXBQJKNDKJIRC-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-084301
Cc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)o1	EMOLS-id_16683166,CoCoCo_3584250,MCULE-3690628625,ZINC22_7976148,PC-id_9103649,CoCoCo_3584249	329.417	GGLLEUVTSRSQFE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-084302
Cc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCC3)nc1	ZINC22_69351720,PC-id_53556270,EMOLS-id_36311484,MCULE-3568362069	329.417	AENLWHUIGOHPBB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084303
Cc1cc(n(n1)C)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170374	329.417	NRGQRHQHDCSYLD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-084304
CCCc1nc2s/c(=Cc3cccc(OC(C)C)c3)/c(=O)n2n1	EMOLS-id_324848868	329.417	SOEUAFHPZAFADJ-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084305
CCC(CC)c1nc2s/c(=Cc3ccccc3OC)/c(=O)n2n1	EMOLS-id_324851948	329.417	YRDQSXLXKOUAFY-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084306
CCC(CC)c1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324856033	329.417	IDSYQOXUUIOFCI-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084307
CCC(CC)c1nc2s/c(=Cc3cccc(OC)c3)/c(=O)n2n1	EMOLS-id_324852972	329.417	UZEKRGIOURUDSR-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084308
CCC(CC)c1nc2s/c(=Cc3ccc(OC)cc3)/c(=O)n2n1	EMOLS-id_324850411	329.417	CUBOKJIWYXLQJW-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084309
CCCCCCOc1ccccc1/C=c
/sc2n(c1=O)ncn2	EMOLS-id_585232,STOCK3S-44385,ZINC22_2128833,SPECS-id_AF-399/41900163	329.417	CAYIDANCUWWAMC-RVDMUPIBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084310
CCCOc1cccc(/C=c/2sc3nc(CCC)nn3c2=O)c1	EMOLS-id_324847844	329.417	DNQGAIDDISPKGX-KAMYIIQDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084311
CCCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)C)c1	EMOLS-id_324845806	329.417	DDNCYIZDQDHAAK-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084312
CC(C)Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)C)c1	EMOLS-id_324846830	329.417	MVYJYBLOXDUZJQ-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084313
CCOc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1	EMOLS-id_324853999	329.417	MJFQYRMVIPMPIP-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084314
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324851938	329.417	HVWZXNUJSDJSBG-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084315
CCOc1cccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)c1	EMOLS-id_324861155	329.417	FZGCBMBIZZNPKB-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084316
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1	EMOLS-id_324850919	329.417	ZYXRSWWPBRDRDB-RAXLEYEMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084317
CCOc1ccc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc1	EMOLS-id_334561467	329.417	MNDHNMFACMORAU-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084318
Cn1cc(CC(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)cn1	MCULE-1341540846,ZINC22_253431194,EMOLS-id_73053699,PC-id_121533339	329.417	ZNCYHISPWUNSQT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-084319
CN(c1ccc(cc1)C(=O)NNC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_19796583,CoCoCo_3440020,MCULE-2178916352,PC-id_24540832	329.417	NGBATHGYGHMVSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084320
CCN(c1ccc(cn1)CNC(=O)c1sc2c(c1)CCC2)CC	PC-id_86992334	329.46	JOAQJCYJMVALTR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084445
COCc1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324899328	329.417	PNEJCSPQHLLSHG-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-084321
n12c(=O)c(=Cc3ccc(cc3)OCC)sc1nc(C(C)(C)C)n2	MCULE-7154143092	329.417	HVWZXNUJSDJSBG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084322
n12c(=O)c(=Cc3ccccc3OC)sc1nc(C(CC)CC)n2	MCULE-5505326119	329.417	YRDQSXLXKOUAFY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084323
n12c(=O)c(=Cc3cc(C)ccc3O)sc1nc(C(CC)CC)n2	MCULE-5632687690	329.417	IDSYQOXUUIOFCI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084324
n12c(=O)c(=Cc3cccc(OC)c3)sc1nc(C(CC)CC)n2	MCULE-7467038094	329.417	UZEKRGIOURUDSR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084325
n12c(=O)c(=Cc3cccc(OCC)c3)sc1nc(C(C)(C)C)n2	MCULE-7275679497	329.417	ZYXRSWWPBRDRDB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084326
n12c(=O)c(=Cc3cccc(OCCC)c3)sc1nc(C(C)C)n2	MCULE-6830161623	329.417	DDNCYIZDQDHAAK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084327
n12c(=O)c(=Cc3cccc(OC(C)C)c3)sc1nc(C(C)C)n2	MCULE-8833080365	329.417	MVYJYBLOXDUZJQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084328
n12c(=O)c(=Cc3ccc(OC)cc3)sc1nc(C(CC)CC)n2	MCULE-3564337573	329.417	CUBOKJIWYXLQJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084329
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COC	MCULE-2379471335	329.417	PNEJCSPQHLLSHG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084330
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)CC(C)C	MCULE-8731275787	329.417	MJFQYRMVIPMPIP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084331
n12ncnc1sc(=Cc1ccccc1OCCCCCC)c2=O	MCULE-5807149205	329.417	CAYIDANCUWWAMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084332
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CC(C)C	MCULE-4431185420	329.417	FZGCBMBIZZNPKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084333
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCC	MCULE-3984186691	329.417	SOEUAFHPZAFADJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084334
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCC	MCULE-4321482899	329.417	DNQGAIDDISPKGX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084335
NCCNC(=O)c1ccccc1NC(=O)c1sc2c(c1)CCC2	PC-id_120603902	329.417	HZDQQIMAVFUENO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084336
O=C(c1cc2c(s1)CCC2)N1CCC(O)(c2cncnc2)CC1	ZINC22_2325813128	329.417	OHFRHALAPZMUOE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084337
O=C(c1ccc(nc1)N1CCOCC1)NC1Cc2c(C1)ccs2	PC-id_21955854,SCHEMBL2456362	329.417	CHHDOSJDEMJMDF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-084338
O=C(CN1CCC=C(c2ccco2)C1)Nc1nc2c(s1)CCC2	PC-id_136541935,ZINC22_570183585,EMOLS-id_316834931,MCULE-3780809365	329.417	KVWGPCIZTHISFI-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-084339
O=C(NC1(c2ncccn2)CCOCC1)c1cc2c(s1)CCC2	EMOLS-id_316938700,PC-id_136566724,MCULE-1295854702,ZINC22_886936158	329.417	MKSJMVFNPBRDDH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084340
O=C(Nc1ccc(N2CCOCC2)cn1)c1cc2c(s1)CCC2	PC-id_51081357,MCULE-4350824995,ZINC22_58393522,EMOLS-id_33307173	329.417	OAUTZERKAKCZDE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-084341
O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2c(s1)CCC2	MCULE-5378245944,EMOLS-id_25659248,CoCoCo_4633404,PC-id_39855823,ZINC22_32612247	329.417	HXLCCOWFHXXOOJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-084342
O=C(Nc1cccnc1N1CCOCC1)c1cc2c(s1)CCC2	EMOLS-id_44501172,PC-id_71937663,MCULE-6172931137,ZINC22_56152346	329.417	SYXXQGVLHWOWFG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-084343
O=C(Nc1nc2c(s1)CCC2)c1ccc(N2CCOCC2)cc1	MCULE-7591670308,EMOLS-id_33317863,PC-id_51099035,ZINC22_58407002	329.417	LAXKNTIQDYRROY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084344
O=C(Nc1ncccc1C)CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_278915010	329.417	VQKKDJZOSBPOAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084345
O=C(NCc1n[nH]c2c1CCC2)C1C[NH+](CCC1)Cc1occc1	PC-id_74546357	329.417	HFZJNLCJYLUNPB-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-084346
O=C(NCc1n[nH]c2c1CCC2)[C@H]1C[NH+](CCC1)Cc1occc1	PC-id_28100424	329.417	HFZJNLCJYLUNPB-CYBMUJFWSA-O	00000010101010000001000010000000000000000000000000000000	25-01-084347
O=C(NCc1n[nH]c2c1CCC2)[C@@H]1C[NH+](CCC1)Cc1occc1	PC-id_28100426	329.417	HFZJNLCJYLUNPB-ZDUSSCGKSA-O	00000010101010000001000010000000000000000000000000000000	25-01-084348
O=S(=O)(c1cnc2n1CCC2)N1CC2(c3c1cccc3)CCC2	EMOLS-id_100318660	329.417	XYYGLIJHRWTHPE-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-084349
O=S(=O)(c1cnc2n1CCC2)N1CCC=C(C1)c1ccccc1	EMOLS-id_98190262	329.417	VQPRMEGZAXFLNY-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-084350
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(N(C)C)ccc1	PC-id_27684451	329.417	JEYUGAUKYHBGLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084351
s1c2c(CCC2)c(c1NC(=O)c1ccc(N(C)C)cc1)C(=O)N	PC-id_60001307	329.417	KCTWPUNDIOELGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084352
s1c2CCCc2c(c1NC(=O)CCN(Cc1occc1)C)C#N	PC-id_24589152	329.417	LWFLBVHTRUPKEB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-084353
s1c2c(CCC2)c(c1NC(=O)CN(c1ccccc1)C)C(=O)N	PC-id_8689751	329.417	SPXYBBUXUWMVMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084354
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCC	PC-id_16947517	329.417	MKTBBGVZQPNYNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084355
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCC	PC-id_16947040	329.417	HIGFKFHEIZUZRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084356
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NC(C)C	PC-id_16947041	329.417	TUEUARUKGSTHAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084357
s1c2CCCc2nc1NC(=O)c1cc(NC(=O)C(C)C)ccc1	PC-id_4083900	329.417	QZJQCIMWKLZCRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084358
s1c2CCCc2nc1NC(=O)CCCNC(=O)c1ccccc1	PC-id_33039946	329.417	TXKOQMBPGKEUJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084359
s1c2CCCc2nc1NC(=O)CCNC(=O)c1c(cccc1)C	PC-id_33040487	329.417	OMHBOHAWTGUKRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084360
s1c2CCCc2nc1NC(=O)CCNC(=O)Cc1ccccc1	PC-id_33041021	329.417	UWOBUBNEQJWBMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084361
s1c2CCCc2nc1NC(=O)CNC(=O)c1cc(cc(c1)C)C	PC-id_33040275	329.417	HPPRPMVSYGUDPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084362
Cc1ccc(cc1)NC1=Cc2n(C1=Nc1ccc(cc1)C)cc[n+]2C	PC-id_101389842	329.418	WPYOLEFJVHGXSM-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-084363
CC(c1nnc2n1CCC2)NS(=O)(=O)N1CCOC(C1)(C)C	EMOLS-id_98886687	329.418	OUFAQIASICBJPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084364
CC(C)C[C@@H](NS(=O)(=O)C)C(=O)NCc1nnc2n1CCC2	PC-id_94024310,ZINC22_44934207	329.418	XPXSPVXMZOQTFQ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084365
CC(C)C[C@H](NS(=O)(=O)C)C(=O)NCc1nnc2n1CCC2	ZINC22_44934204,PC-id_94024309	329.418	XPXSPVXMZOQTFQ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-084366
CC(CC(C(=O)NCc1nnc2n1CCC2)NS(=O)(=O)C)C	MCULE-7940657745,PC-id_45818944,EMOLS-id_31935336	329.418	XPXSPVXMZOQTFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084367
c12SCCn1cc(Cn1cc(nn1)CC(C)c1ccc(C)o1)n2	EMOLS-id_44447329,MCULE-7739528938,PC-id_70773077	329.42	BAEMSLMWOJRVRA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-084368
c
(=NC(=O)C2CCCN(c3ncccn3)C2)/sc2c(CCC2)[nH]1	MCULE-7907090238,EMOLS-id_49394339,EMOLS-id_44210524,STOCK7S-33534,PC-id_71705168	329.42	CYELOAIHHHAAHG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084369
Cc1ccc([C@H](C)Cc2cn(Cc3cn4c(n3)SCC4)nn2)o1	PC-id_96579911,ZINC22_82145904	329.42	BAEMSLMWOJRVRA-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-084370
Cc1ccc([C@@H](C)Cc2cn(Cc3cn4c(n3)SCC4)nn2)o1	ZINC22_82145901,PC-id_96579910	329.42	BAEMSLMWOJRVRA-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-084371
Cc1cn2c(CN(C)C(=O)c3n[nH]c4c3CCC4)c(C)nc2s1	MCULE-3121134975,PC-id_75392481,EMOLS-id_48294004,ZINC22_89743270	329.42	CRZUIAFGSYEBEP-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-084372
Cc1cnn(CCNCC(=O)Nc2sc3c(c2C#N)CCC3)c1	MCULE-8679007751,PC-id_53620585,ZINC22_69951971,EMOLS-id_36692091	329.42	UKIVIOVXRVCJLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084373
O=C(C1CCCN(C1)c1nccnc1)Nc1sc2c(n1)CCC2	PC-id_45810825,MCULE-2712637952,EMOLS-id_31895064	329.42	LMERZHFGHLIBHT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084374
O=C(N=c1cnc(N2CCNCC2)c[nH]1)c1cc2c(s1)CCC2	ZINC22_1875292751	329.42	RPFUOWFOPKMEIF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084375
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN(c2cnccn2)C1	CoCoCo_4795978,ZINC22_29860415,CoCoCo_4795979	329.42	LMERZHFGHLIBHT-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084376
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN(c2cnccn2)C1	CoCoCo_4795981,CoCoCo_4795980,ZINC22_29860417	329.42	LMERZHFGHLIBHT-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-084377
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN(c2ncccn2)C1	PC-id_94040891,ZINC22_45143921	329.42	CYELOAIHHHAAHG-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084378
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN(c2ncccn2)C1	ZINC22_45143919,PC-id_94040890	329.42	CYELOAIHHHAAHG-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-084379
O=C(Nc1nccc(n1)C1CC1)NCCc1sc2c(n1)CCC2	EMOLS-id_318947837	329.42	UJWNVFUAVRQLKM-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-084380
s1c2c(CCC2)cc1CNCc1oc(cc1)CSC(F)F	PC-id_61206845	329.428	HQPXHUSCSBJNCC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-084381
C1CCOC(C1)CS(=O)(=O)NC(=O)c1cc2c(s1)CCC2	PC-id_134813249,EMOLS-id_110346504,MCULE-4101255953	329.435	MTBKFFJZUUJROS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-084382
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)CC1CCCOC1	EMOLS-id_111260906	329.435	MTRNVHJHZHDFSG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-084383
O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1cc2c(s1)CCC2	ZINC22_102141275	329.435	MTBKFFJZUUJROS-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-084384
O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1cc2c(s1)CCC2	ZINC22_102141279	329.435	MTBKFFJZUUJROS-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-084385
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)C1CCCCC1	PC-id_61066171	329.435	UXLVGGFPDVRLPG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-084386
s1c2n(c(c(c2cc1)C(=O)C1=Cc2sccc2C1)C)CCO	PC-id_53358593	329.436	UYRLJSJXJNZJSH-UHFFFAOYSA-N	00000011100000000000000110000000000000000000000000000000	25-01-084387
CCC(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC	PC-id_92109317	329.437	NUOUALQKZJMJHR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-084388
O=C1CCCCC1C1CCCCCN1C(=O)c1cnn2c1CCC2	MCULE-4756589664,EMOLS-id_316151842	329.437	CCMKDHKPJYQORS-UHFFFAOYSA-N	00000010100010000101100010000000000000000000000000000000	25-01-084389
O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)c1cnn2c1CCC2	ZINC22_294813205	329.437	CCMKDHKPJYQORS-GDBMZVCRSA-N	00000010100010000101100010000000000000000000000000000000	25-01-084390
O=C1CCCC[C@H]1[C@H]1CCCCCN1C(=O)c1cnn2c1CCC2	ZINC22_294813211	329.437	CCMKDHKPJYQORS-GOEBONIOSA-N	00000010100010000101100010000000000000000000000000000000	25-01-084391
O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)c1cnn2c1CCC2	ZINC22_294813214	329.437	CCMKDHKPJYQORS-HOCLYGCPSA-N	00000010100010000101100010000000000000000000000000000000	25-01-084392
O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)c1cnn2c1CCC2	ZINC22_294813218	329.437	CCMKDHKPJYQORS-ZBFHGGJFSA-N	00000010100010000101100010000000000000000000000000000000	25-01-084393
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC(C)(C)C	PC-id_92109316	329.437	GJDHSZGXXUHWKC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-084394
c1(sc2c(CCC2)n1)NC(=O)C1CCN(CC1)S(=O)(=O)C	EMOLS-id_16979182,PC-id_25856216,MCULE-5810921257,ZINC22_13704820,CoCoCo_5264229	329.438	NBHYTNIBJYNCER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084395
CCCCc1c2C(=C(c3ccccc3)c3ccccc3)CCn2nn1	PC-id_134864417	329.438	MTBXIYLYTKSNBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084396
CN1CCN(CC1)C(=O)c1cc2N(CCc2s1)S(=O)(=O)C	PC-id_97407208,EMOLS-id_46185211,ZINC22_96087956	329.438	AIAXIUADVWURCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084397
CN(CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_44910042,PC-id_94021340	329.438	FJMGUWPHXLGCPW-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084398
CN(CC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_44910045,PC-id_94021341	329.438	FJMGUWPHXLGCPW-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-084399
O=C(C1(CCC1)S(=O)(=O)C)NCCc1cn2c(n1)SCC2	EMOLS-id_100219177	329.438	FALXQHLYMJCQMP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-084400
O=C(C1CCCCS1(=O)=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99821581	329.438	FMIKIOQOCAVRIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084401
O=C(c1sc2c(c1)CCC2)NC1CCN(CC1)S(=O)(=O)N	EMOLS-id_316695398	329.438	SIYOUTQVFADPHT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-084402
O=C([C@@H]1CS(=O)(=O)C[C@H]1N)NCCc1sc2c(n1)CCC2	MCULE-3922117345,EMOLS-id_320232813	329.438	OMWIZMGWAKWAJJ-RKDXNWHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084403
O=C(CN1CCCS1(=O)=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180198	329.438	IZDYWEBGKNHNKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084404
O=C(CN(C1CCS(=O)(=O)C1)C)Nc1sc2c(n1)CCC2	EMOLS-id_30202373,MCULE-9351457247,PC-id_45810651	329.438	FJMGUWPHXLGCPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084405
O=C(N1CCS(=O)(=O)CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001995	329.438	IWGICTBIBWMZAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084406
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCS(=O)(=O)C1	EMOLS-id_101999922	329.438	VBKLAUYVJJWAGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084407
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2CCCc2n1)C	PC-id_44086245	329.438	CADDFZUXGBUHFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084408
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2CCCc2n1)C	PC-id_44086844	329.438	PRJFTTRIXRDLAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084409
CC1CC(c2n1ccn2)NC1CC(C1n1cccn1)OC(C)(C)C	MCULE-9983509946,EMOLS-id_318372145	329.44	ARCDQBDALHYSTH-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-084410
CCc1nc2c(o1)N(CC2CCc1cc2n(n1)CCN2CC)CC	PC-id_138744767,SCHEMBL21126218	329.44	GYABJYQNGLZIFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084411
CC(c1nn2c(c1)CCC2)NC[C@@H]1CCCO[C@H]1c1ccnn1C	MCULE-6100379857,EMOLS-id_316083562	329.44	GLOJNZMWEWTMLE-VVPPIPSKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084412
CC(c1nn2c(c1)CCC2)NC[C@@H]1CCCO[C@H]1c1nccn1C	MCULE-1056860148,EMOLS-id_316080488	329.44	IJQAADVKTCEMLK-XLGXCUCASA-N	00000010100010000001100010000000000000000000000000000000	25-01-084413
C[C@@H](NC[C@@H]1CCCO[C@H]1c1ccnn1C)c1cc2n(n1)CCC2	ZINC22_658268286	329.44	GLOJNZMWEWTMLE-QWQRMKEZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084414
C[C@H](NC[C@@H]1CCCO[C@H]1c1ccnn1C)c1cc2n(n1)CCC2	ZINC22_658268287	329.44	GLOJNZMWEWTMLE-SUNYJGFJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084415
C[C@H](NC[C@@H]1CCCO[C@H]1c1nccn1C)c1cc2n(n1)CCC2	ZINC22_858008083	329.44	IJQAADVKTCEMLK-GRDNDAEWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084416
C[C@@H](NC[C@@H]1CCCO[C@H]1c1nccn1C)c1cc2n(n1)CCC2	ZINC22_858008085	329.44	IJQAADVKTCEMLK-JKIFEVAISA-N	00000010100010000001100010000000000000000000000000000000	25-01-084417
O=C(c1sc2c(c1)CCC2)Nc1ccnn1Cc1cccs1	EMOLS-id_44513225,MCULE-1400377117	329.44	HYQMZSNEYOGXDG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084418
O=C([C@H]1CCCN(C1)c1cccc[nH+]1)Nc1sc2c(n1)CCC2	GD-id_ZINC47828788	329.44	CFQWMJZKALPVRV-LBPRGKRZSA-O	00000010100010101001100010000000000000000000000000000000	25-01-084419
s1c2CCCc2cc1C(=O)Nc1n(ncc1)Cc1ccsc1	PC-id_51199022	329.44	LGQLMEHESRLFQT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084420
s1c2CCCc2cc1C(=O)Nc1scc(n1)c1n(ccc1)C	PC-id_75403182	329.44	HLPHLOXJOPBDEN-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-084421
S1c2n(CC1)c(c(n2)C)CSCCN/C(=C/[N+](=O)[O-])/NC	PC-id_50878403	329.442	VVAMDADBSGZTDS-YRNVUSSQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084422
S1c2n(CC1)c(c(n2)C)CSCCNC(=C[N+](=O)[O-])NC	PC-id_75572675	329.442	VVAMDADBSGZTDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084423
CCn1c(CN(C)Cc2n[nH]c3c2CCC3)nnc1[C@H]1C[C@@H](N)C1	MCULE-4570864670,ZINC22_244874243,EMOLS-id_55612171	329.443	WXCODFZXGZCYSP-TXEJJXNPSA-N	00001010100000000001100010000000000000000000000000000000	25-01-084424
Brc1nc2OC(Cn2c1)COc1ccc(Cl)cc1	PC-id_78098370	329.577	XASYLBZXMPHNKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084490
CCn1c(nnc1C1CC(C1)N)CN(C)Cc1n[nH]c2c1CCC2	PC-id_91763342	329.443	WXCODFZXGZCYSP-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-084425
CN([C@@H]1Cc2c(C1)c(sc2C(=O)CCc1ccc(cc1)O)C)C	PC-id_143295724	329.456	NBAGISKSOOQFOL-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084426
OC[C@H](Cc1ccccc1)NC(=O)[C@@H]1c2sccc2CC1(C)C	PC-id_101344745	329.456	LWPMILYPASJRRC-HOTGVXAUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084427
OC[C@H](Cc1ccccc1)NC(=O)[C@H]1c2sccc2CC1(C)C	PC-id_101344746	329.456	LWPMILYPASJRRC-JKSUJKDBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084428
COc1ccsc1S(=O)(=O)NCc1cc2c(s1)CCC2	PC-id_75380703,ZINC22_95415253,MCULE-3436776805,EMOLS-id_48261079	329.458	JSGLQXRZRDZPGA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-084429
c1(C2CCCN(C2)C(=O)c2cc3c(CCC3)s2)nc(cn1C)C	EMOLS-id_237089,MCULE-9437747798,PC-id_110104088,BDE-32068755	329.46	NADYZOBPVGZOQP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084430
c1ccc(cn1)CN(Cc1sc2c(n1)CCC2)CC1CCCO1	PC-id_75471895,MCULE-7724012021,EMOLS-id_48812765	329.46	PKZVQIVTTMYNJJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084431
c1(CN(C2CCCC2)C(=O)c2cccs2)c2CCCc2n(C)n1	MCULE-9584441409,PC-id_86266580,EMOLS-id_50145328	329.46	UQZGZFYPWUEWIS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084432
c1cncc(CN(Cc2nc3c(s2)CCC3)C[C@@H]2CCCO2)c1	PC-id_97335188,ZINC22_95986586	329.46	PKZVQIVTTMYNJJ-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084433
c1cncc(CN(Cc2nc3c(s2)CCC3)C[C@H]2CCCO2)c1	ZINC22_95986587,PC-id_97335189	329.46	PKZVQIVTTMYNJJ-OAHLLOKOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084434
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1C(C)(C)C	EMOLS-id_5679730,ZINC22_189447,MCULE-7396714062,PC-id_4994481,CoCoCo_6415082	329.46	UJAKPGKDDYKRCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084435
c1(NC(=O)c2cc(C)cc(C)c2)c2CSCc2nn1C(C)(C)C	PC-id_5184119,EMOLS-id_5426101,ZINC22_189418,MCULE-9208067631,CoCoCo_4972593	329.46	YNRPMOIKYPCMES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084436
c1(NC(=O)CC2(CCCCC2)n2cccc2)sc2c(CCC2)n1	EMOLS-id_323254617,MCULE-4731214466	329.46	YSOCZLYFJBDRRZ-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-084437
c1(NC(=O)CCc2ccccc2)c2CSCc2nn1C(C)(C)C	ZINC22_3912427,PC-id_4159767,MCULE-2622289171,CoCoCo_4980062,SCHEMBL4881968,EMOLS-id_5436126	329.46	VODFXMVJXIEHHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084438
Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257271881	329.46	NADYZOBPVGZOQP-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084439
Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1	ZINC22_257271882	329.46	NADYZOBPVGZOQP-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084440
CC1OCCN(C1)c1ccc(cn1)CNC1CCc2c1scc2	MCULE-8357160618,EMOLS-id_318494416	329.46	SNNPEYPLXHUCBN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-084441
CCc1nccn1C1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_36955625,MCULE-6890875080,PC-id_56779726	329.46	HWRYNONQPMXMFD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084442
CCc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_95606522,ZINC22_71870693	329.46	HWRYNONQPMXMFD-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084443
CCc1nccn1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_71870694,PC-id_95606523	329.46	HWRYNONQPMXMFD-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084444
COc1cccc(c1)N1CCN(Cc2nc3CCCc3s2)CC1	EMOLS-id_330483292,MCULE-2856655708,ZINC22_678810896	329.46	UVONUJQBBMSRIM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084446
COc1ccc(cc1)N1CCN(Cc2nc3CCCc3s2)CC1	MCULE-9502620099,EMOLS-id_337712907	329.46	VBRSWWZABRUINI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084447
COc1ccccc1N1CCN(Cc2nc3CCCc3s2)CC1	PC-id_154829094,EMOLS-id_324598835,ZINC22_678826686,MCULE-2096591023	329.46	FSBRNMBNIXAJEN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084448
O=C(C1(CCCCC1)c1cccs1)NCc1cnc2n1CCC2	EMOLS-id_319695264	329.46	MQZMJPMKLVYZJL-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-084449
O=C(C1(CCCCC1)c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_320318344,MCULE-4894069205	329.46	CQWVLUZYNMOLON-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-084450
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cscc1	PC-id_92109859	329.46	BCMKRAIWDJQVIM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084451
OC(S1C(=Nc2n1cnc2)Cc1ccccc1)C1CCCCC1	SCHEMBL20743843	329.46	YUPWSHGQKWYMSR-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-084452
OC(S1C(=Nc2n1cnc2)C)CC1CCC(C1)c1ccccc1	SCHEMBL20744139	329.46	NFPMINVFZDCRNO-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-084453
s1c2CCCc2cc1C(=O)NN=Cc1c(n(C(C)C)c(c1)C)C	PC-id_84939470	329.46	GUMBAZRNJOZLDC-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084454
s1c2CCCc2nc1NC(=O)c1ccc(CN(CC)CC)cc1	PC-id_46427431	329.46	DHIIUEOPJIBLJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084455
S(CCCC(=O)Nc1n(nc2c1CCC2)C)c1ccc(cc1)C	PC-id_45536343	329.46	OKAHVPZOJHJZCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084456
CNCc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053326	329.461	NQTOEEXDBLYKOI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084457
CNCc1csc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053391	329.461	JLSLHLHWBWQBDQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084458
CNCc1scc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053335	329.461	IEBKRTIGZMSPOV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084459
CNCc1sccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053353	329.461	RJAFGHJFIWMTRD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084460
Nc1nsc(c1S(=O)(=O)C)NCc1sc2c(c1)CCC2	PC-id_103378435	329.461	NXRHGFIXJYHCPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084461
NCc1sc(cc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053375	329.461	WJVMWKGZWRNYPB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084462
NCc1scc(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053344	329.461	JRKFKBGKPDGYLQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084463
NCc1sc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053378	329.461	PKIJYFFKLZIXHK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084464
s1c2CCCc2nc1NS(=O)(=O)c1sc(CCN)cc1	PC-id_61511730	329.461	XREWEJIWQUEOQK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084465
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1sc(cc1)C	PC-id_7640563	329.461	HYAFGSVHZWNGJO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084466
CC1CC(c2n1ccn2)NCc1ccnc(c1)N1CCSCC1	EMOLS-id_318099123,MCULE-8521657127	329.463	DHANWPXOWUTBFZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-084467
CC1CC(c2n1ncn2)Nc1cccc(c1)CN1CCSCC1	MCULE-6862410162,EMOLS-id_318817806	329.463	BLZQIAIWBIPMRV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-084468
Cc1ccc(nn1)N1CCCC(C1)NCc1sc2c(n1)CCC2	EMOLS-id_318306876,MCULE-2240358309	329.463	CNJWCIPOQOLDEN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084469
Cc1cc(N2CCN(Cc3nc4c(s3)CCC4)CC2)nc(C)n1	PC-id_75471901,ZINC22_95986612,EMOLS-id_48812795	329.463	LQESGZJVMDWCKS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084470
CN1CCN(CC1)c1ccnc(c1)NCc1sc2c(n1)CCC2	MCULE-3145953252,EMOLS-id_318082655	329.463	GCMXNLLQKMFSNC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-084471
CN(C1CCN(C1)Cc1sc2c(n1)CCC2)Cc1ncccn1	EMOLS-id_316079585,MCULE-8403367987	329.463	WWOXEEGYKLYQFY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084472
CN(C(=NCc1ccccc1)NCCc1nc2n(c1)CCS2)C	PC-id_120363238	329.463	SRSPOIJTJJXXOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084473
OC(c1sc2c(c1)CCC2)CC1CCCN(C1)S(=O)(=O)C	PC-id_115820196	329.478	IEUUKWGXIIBAKG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-084474
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1CCCCC1	PC-id_92109733	329.48	MGWOFQMJXRZUGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084475
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CC1CCCC1	PC-id_92109740	329.48	BCLYBQNNEAHEMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084476
CCC1(CC)SCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100244572	329.481	GCDQLNDFRNHGDW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084477
CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2nc3c(s2)CCC3)C1	ZINC22_97034002,PC-id_97794865	329.481	WXUUWXGNECVWOH-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084478
CC(C)NS(=O)(=O)[C@H]1CCN(Cc2nc3c(s2)CCC3)C1	ZINC22_97034003,PC-id_97794866	329.481	WXUUWXGNECVWOH-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-084479
CC(NS(=O)(=O)C1CCN(C1)Cc1sc2c(n1)CCC2)C	MCULE-3031140575,EMOLS-id_49298921,PC-id_75497436	329.481	WXUUWXGNECVWOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084480
CCSC1CCCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100229842	329.481	LVAXFGMPEAYLEL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-084481
S(=O)(=O)(N1Cc2sc(=S)sc2C1)c1ccc(cc1)C	PC-id_11078008	329.481	YGRSSUHABQKTNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084482
CCN(CC)C(=S)SCC(=O)Nc1nc2c(s1)CCC2	MCULE-5387795067,EMOLS-id_44537340,ZINC22_48583864,PC-id_47287487	329.504	QENODOJEYPTKKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084483
s1c2CCCc2cc1C(=O)NNC(=S)NCCCSC	PC-id_8746034	329.504	SRVSYMQLHGWBFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084484
CCCNC(c1sc2c(c1)CCC2)CCCS(=O)(=O)CC	PC-id_115865270	329.521	ZSEALFOQMDKTAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084485
ClC(Cl)(Cl)C1(O)C(C(n2c1cc([N+](=O)[O-])c2)C)CO	PC-id_75295225	329.564	JDDYHKBPBBUCPG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084486
ClC(Cl)(Cl)[C@@]1(O)[C@@H]([C@H](n2c1cc([N+](=O)[O-])c2)C)CO	PC-id_49793796	329.564	JDDYHKBPBBUCPG-SLBFFKMLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084487
Brc1n2C[C@H](Oc2nc1)COc1ccc(Cl)cc1	PC-id_71525595	329.577	HYIZRWRXAMGTCB-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-084488
Brc1n2CC(Oc2nc1)COc1ccc(Cl)cc1	PC-id_78098371	329.577	HYIZRWRXAMGTCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084489
Brc1nc2O[C@@H](Cn2c1)COc1ccc(Cl)cc1	PC-id_71525594	329.577	XASYLBZXMPHNKA-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-084491
CNC(=O)ON=C1C(Sc2n1ccn2)C(Cl)(Cl)Cl	SCHEMBL11198184,PC-id_54052128	329.591	LTQAGMQXLQHVTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084492
Brc1cccc(c1)Cn1nc2c(c1Cl)CSC2	EMOLS-id_314357556,PC-id_83193015	329.643	UIGAULNXNSBIDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084493
Brc1ccccc1Cn1nc2c(c1Cl)CSC2	EMOLS-id_314460590,PC-id_83193016	329.643	GXTAUZBUTBYPOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084494
Brc1ccc(cc1)Cn1nc2c(c1Cl)CSC2	PC-id_83192879,EMOLS-id_315795847	329.643	DMSFFXBKYSAXNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084495
Brc1ccc(cn1)NC1CCc2c1cc(s2)Cl	PC-id_108193930	329.643	STSBGVCRBUMQOK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084496
Brc1cncc(c1)NC1CCc2c1cc(s2)Cl	PC-id_113354197	329.643	RVLOUSRLDHOLBY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084497
Clc1sc2c(c1)C(CC2)Nc1cccnc1Br	PC-id_114051497	329.643	JXINSCRGNDGQDY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084498
c1(C(=O)Nc2ccc(cc2C(F)(F)F)Cl)cn2c(CCC2)n1	MCULE-8797034050,EMOLS-id_321297629	329.705	UNOAZYNBFUARHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084499
c1(C(=O)Nc2ccc(c(C(F)(F)F)c2)Cl)c2CCCc2[nH]n1	EMOLS-id_335088178,MCULE-6146433467	329.705	DIJPPFVHNRCLMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084500
c1(C(=O)Nc2ccc(c(C(F)(F)F)c2)Cl)cn2c(CCC2)n1	EMOLS-id_321297373,MCULE-3701904683	329.705	CFOVZTPLKOXGSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084501
c1(C(=O)Nc2c(Cl)ccc(c2)C(F)(F)F)c2CCCc2[nH]n1	MCULE-7162132598,EMOLS-id_335098416	329.705	PTHHCURSEHLSME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084502
c1(C(=O)Nc2c(Cl)ccc(c2)C(F)(F)F)cn2c(CCC2)n1	MCULE-4835715325,EMOLS-id_321295068	329.705	MYFHTJWGCDOOPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084503
c12c(C#N)c(nn1C(C(=O)N2)CC(=O)Nc1ccccc1Cl)C	SPECS-id_AN-153/NB27381,EMOLS-id_49218895,MCULE-4182643763,PC-id_135636117	329.741	KZZLMSNHQMELJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084504
Cc1nn2c(c1C#N)NC(=O)[C@H]2CC(=O)Nc1ccccc1Cl	PC-id_136807885,ZINC22_96194534	329.741	KZZLMSNHQMELJO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084505
Cc1nn2c(c1C#N)NC(=O)[C@@H]2CC(=O)Nc1ccccc1Cl	ZINC22_96194535,PC-id_136807886	329.741	KZZLMSNHQMELJO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084506
c1(C(=O)Nc2c(Cl)ccc(c2)n2cnnn2)c2CCCc2[nH]n1	EMOLS-id_323257274,MCULE-9275008119	329.744	BHZDQCIWBRIYJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084507
O=C(N=c1ccn(c2ncccc2Cl)[nH]1)[C@@H]1Cc2nncn2C1	ZINC22_1875318692	329.744	MAAGWKFQOHQPNI-SECBINFHSA-N	00000010100000101001100010000000000000000000000000000000	25-01-084508
O=C(N=c1ccn(c2ncccc2Cl)[nH]1)[C@H]1Cc2nncn2C1	ZINC22_1875318693	329.744	MAAGWKFQOHQPNI-VIFPVBQESA-N	00000010100000101001100010000000000000000000000000000000	25-01-084509
CC1CCc2c1c(N)nn2Cc1ccc(cc1Cl)C(F)(F)F	EMOLS-id_330962425,MCULE-5567308482	329.748	BRZLUKDIDPWNPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084510
CC1CCc2c1c(N)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	EMOLS-id_330964985,MCULE-6481960070	329.748	LSUKUVDRZDJZLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084511
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(N)c12	MCULE-6055200404,EMOLS-id_331011494	329.748	CBVBXMFELZTBAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084512
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(N)c12	EMOLS-id_331014054,MCULE-2994237130	329.748	JAZOPMYYBGALEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084513
Clc1ccc(cc1C(F)(F)F)CNCc1cnc2n1CCC2	MCULE-8664452538,EMOLS-id_318341752	329.748	WCLUTWHINDDZPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084514
Clc1sc2CCC(Nc3cc(c(F)cc3F)C(=O)O)c2c1	PC-id_81234382	329.75	JZECZTIFSUDMPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084515
n12ncnc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O	MCULE-5412206727	329.761	UEWKEYQFQLDEQW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-084516
n12ncnc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O	MCULE-9442431824	329.761	IXOLCTKZOLAGKA-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-084517
n12ncnc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O	MCULE-4947988470	329.761	NXGQLCCSWMILQF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-084518
Cc1cc(c(cc1)N(C)S(=O)(=O)c1c2NOCn2nn1)Cl	PC-id_136131897	329.763	PSCPHZHGEXRWBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084519
O=C(c1cnn2c1CCC2)NS(=O)(=O)c1cnc(n1C)Cl	EMOLS-id_316485550	329.763	AJHDJCCVUXFYLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084520
CCCc1cc2n(c1C(=O)c1ccccc1Cl)CC=C2C(=O)O	PC-id_70619094,SCHEMBL11602498	329.778	ZKJGSCYQNYHJIM-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-084521
Clc1cc(ccc1F)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316437786,MCULE-2826241944	329.778	YFJAQNGUUHNHDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084522
Clc1ccc(c(c1)F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319067282	329.778	NKZFFBGNURRPHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084523
Clc1ccc(cc1F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319385239	329.778	GBOXRKPRXCRNOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084524
Clc1ccc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)F	EMOLS-id_318672154	329.778	BYRFWSQQPLYBRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084525
Clc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_318797775	329.778	MARWQBBJMZWLDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084526
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(cc1)C=C	SCHEMBL10816387,PC-id_20253910	329.778	MQTMNUAJYZEXMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084527
Fc1ccc(cc1Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319577882	329.778	BBBUDJGGCQZEIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084528
Fc1cccc(c1S(=O)(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_318776184	329.778	DQTAFMZOMBNCJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084529
Fc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_319599525	329.778	SKVJVBTVVJBXPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084530
Clc1sc2CCC(NCc3ccc(OC(F)F)cc3)c2c1	PC-id_81235474	329.793	CQLSZYPDNNIMPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084531
Clc1sc2c(C(NCc3c(OC(F)F)cccc3)CC2)c1	PC-id_81235345	329.793	MOPQHPOCTMTUHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084532
Clc1sc2c(c1)C(CC2)NCc1cnn(c1)C1CC1(F)F	EMOLS-id_318776702	329.796	HWRLPJCBOWIGOB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-084533
Clc1ccc(cc1)C1(CCC1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_318313269	329.824	ZQUJSJNSIHHXPE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-084534
Clc1cccc(c1)C1(CCC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318017175	329.824	DFENEHURQCPFLZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-084535
Clc1cccc(c1)C1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319197152	329.824	RSBFAHAIAKWOGQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-084536
Clc1cccc(c1)C1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319376165	329.824	OVYOTKSEZUYTQV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-084537
Clc1ccc(cc1)CC1(CC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319608766	329.824	YXVBLBVETGQHCZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-084538
Clc1ccc(cc1)CC1(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319087428	329.824	RLMHLXAFTINNMJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-084539
Clc1cccc(c1)CC1(CC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319730911	329.824	GCBJQGIVBFLPDD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-084540
Clc1ccc(cc1)CC1(CCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318317162	329.824	UBAKAWGGZADBES-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-084541
Clc1ccc(cc1)CC1(CCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318155867	329.824	AVDRIUXYSHAMJR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-084542
Clc1ccc(cc1)C(C1CCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318181823	329.824	XTNISPWKEOKQKU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-084543
O=C(C1(CCC1)c1ccccc1Cl)NCc1cnc2n1CCC2	MCULE-1009023157,EMOLS-id_319920738	329.824	MGYUQTFZUMPCJT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-084544
O=C(C1(CCC1)c1ccccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318976670	329.824	SLWYEJGVNJVZSE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-084545
Clc1cc(N)c(S(=O)(=O)Nc2sc3CCCc3n2)cc1	PC-id_61508284	329.826	YJDIKLBXMCKSLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084546
Clc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c(N)cc1	PC-id_61508286	329.826	AFYKCQWJXBSARZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084547
Clc1c(N)cc(S(=O)(=O)Nc2sc3CCCc3n2)cc1	PC-id_61507922	329.826	JYFKPFBRABDTTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084548
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)ccc(N)c1	PC-id_61507920	329.826	PGKAVYWQEBDPTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084549
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(N)cc1	PC-id_61508518	329.826	ONGJKOZBTYDGOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084550
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)c(N)ccc1	PC-id_61892689	329.826	XEPROGLBWHLFJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084551
Clc1ncc(S(=O)(=O)NCc2sc3c(CCC3)c2)cn1	PC-id_61215852	329.826	IMOXOHSKUCXGED-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084552
ClCCCCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_43346543	329.842	NPLBFOLELSVTBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084553
ClCC(C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)(C)C	PC-id_63680907	329.842	WRVUZICKVGMPME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084554
CCCCc1c(C(=O)c2ccccc2)n2c(c1Cl)C(CC2)(C)C	PC-id_140336892	329.864	SBTRSFLASNIYMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084555
COCCNC(c1sc2c(n1)CCC2)c1ncc(s1)Cl	PC-id_107124774	329.869	ZYOMXMZVPVDWPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084556
Brc1sc(Br)c2[C@H](O)C(O)[C@H](O)c12	PC-id_398921	329.994	QGUDOVPBEJEZBX-NGQZWQHPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084557
Brc1sc(Br)c2C(O)C(O)C(O)c12	PC-id_78180639	329.994	QGUDOVPBEJEZBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084558
O[C@@H]1[C@H](O)c2c([C@H]1O)c(sc2Br)Br	CoCoCo_5775683	329.994	QGUDOVPBEJEZBX-QWWZWVQMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084559
O[C@@H]1[C@@H](O)c2c([C@H]1O)c(sc2Br)Br	CoCoCo_5775685	329.994	QGUDOVPBEJEZBX-SCDXWVJYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084560
O[C@@H]1[C@@H](O)c2c([C@@H]1O)c(sc2Br)Br	CoCoCo_5775686	329.994	QGUDOVPBEJEZBX-IMJSIDKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084561
O[C@@H]1[C@H](O)c2c([C@@H]1O)c(sc2Br)Br	NSC709155,CoCoCo_5775684	329.994	QGUDOVPBEJEZBX-ZXFHETKHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084562
Brc1sc(c2c1[C@@H]([NH3+])[C@H]([C@H]2O)O)Br	GD-id_ZINC01644196	330.017	XGSHRKUKELEYBR-MROZADKFSA-O	00000010100000000000000010000000000000000000000000000000	25-01-084563
CC1CCc2c1c(I)nn2CC(F)(F)F	MCULE-1691257884,EMOLS-id_330982132	330.089	GHKCLZWISIBRIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084564
CC1CCc2nn(CC(F)(F)F)c(I)c12	MCULE-7692911252,EMOLS-id_330967477	330.089	KVFKWCJEMXFNOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084565
C1CC2=NN=C(N2C1)CNC(=O)NC3=NOC(=C3)C4=CC=CS4	PC-id_154798649	330.09	PCTRONYDYVMKDH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-084566
CC(C)(C)OC(=O)N1CC2=C([C@@H]1C(=O)N)C=NN2S(=O)(=O)C	PC-id_153940572	330.1	XRKRFEXKYPFWGP-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084567
C1CC2=C(C1)SC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCCO	PC-id_154751443,EMOLS-id_257872273,MCULE-8611251400	330.104	LNOPWTNNYJASJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084568
CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)OC	PC-id_148435152	330.104	LYFBYKAYGIDFAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084569
COC1=NNC(=N1)NC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F	MCULE-2061053091,EMOLS-id_317354517,PC-id_154772017	330.105	XBXMNLAJNMHRFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084570
CC1=C2C(C(=O)/C(=CC3=CC=CC=C3)/C2=CS1)CC4=CC=CC=C4	PC-id_153125540	330.108	VVSKCEPRRKMVAG-PDGQHHTCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084571
CCCCCN(B(N1c2cccn2C(C1CC)(C)C)C)B(NC)C	PC-id_144358270	330.127	GKFHESGXEKNUOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084572
Fc1cc(F)c(c(c1)Br)OCc1nnc2n1CCC2	EMOLS-id_318997705	330.128	HPTXOYWFXJXTPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084573
CCN(CC)CC1=CC=C(C=C1)OCC2=C3CNC(=O)C3=CS2	PC-id_153374632	330.14	VNVUKBBTTCSUTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084574
C1CC2=C(C1)SC(=N2)CN3CCC(CC3)COC4=NC=CN=C4	EMOLS-id_324547147,PC-id_154830550,MCULE-9417304913,ZINC22_1849877510	330.151	IVMSIDHMQGGUSY-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-084575
S1(=O)(=O)N(Cc2n(P(PP)P)nnc12)CCC	PC-id_23398320	330.161	YJBRHFRAIHRWRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084576
OC[C@@H]1COCCN1C(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319728603	330.178	HOBQXALOPQKMBH-MRVPVSSYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084577
O[C@@H]1C[C@H](C[C@@H]1O)NC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_318987802	330.178	YYUWPCPEKRUBIU-VJKWBMGZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084578
O[C@@H]1C[C@@H](C[C@@H]1O)NC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319998799,MCULE-9309228167	330.178	YYUWPCPEKRUBIU-ZFRGLUTLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084579
Brc1c(n2CCCc2c1C#N)C(=O)c1ccc(N)cc1	PC-id_23741772	330.179	OOUMGSVYRQNXDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084580
c1(C(=O)c2ccc(cc2)Br)c(N)c(c2CCCn12)C#N	MCULE-6329669033,STOCK1S-31396,ChEMBL-DNDi_CHEMBL5240473,CoCoCo_6902980,PC-id_750242,CHEMBL1489873,SPECS-id_AH-262/34614031,ZINC22_198587,EMOLS-id_4386693	330.179	JLSCORITCOMFAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084581
CCCN(CCC1=CC(=CC=C1)F)C(=O)N[C@H]2CCN3C2=NC=C3	ZINC22_1478686026,PC-id_164626090	330.186	YOOPJRGEVJBPIS-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084582
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1sccc1Cl	PC-id_20456501,SCHEMBL11068835	330.186	WXFHUBFKTOFBCB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-084583
CC(C)N(C)C1=NC=C(C=C1)CNC(C)C2=NC3=C(S2)CCC3	MCULE-5329591597,PC-id_154760407,EMOLS-id_317262306	330.188	SWUOPSIAWDROJB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084584
C1c2c(CN1C(=O)c1cc(c([nH]1)Cl)Cl)sc(c2)C(=O)N	PC-id_90758358	330.19	VFBPMXJRYCCLID-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084585
Clc1cc(NC(=O)Nc2onc3c2CSC3)ccc1Cl	PC-id_49719374	330.19	GJKNFANICXXALV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084586
CC1CC1C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_257945794,MCULE-9785842370	330.198	ZTMWDSLEVJGSAV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-084587
C=CCCC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	MCULE-5308932501,EMOLS-id_258101721	330.198	RCAYZKXREWHPQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084588
CC=C(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	EMOLS-id_316554348	330.198	RGEZVIGZFHJGMB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084589
CC=NC1=C(c2cncn2C1CC(C1CCC(CC1)C(=O)N)O)C	PC-id_163840930	330.206	OLXPNFXMALIOMM-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-084590
CC(C1CCC1)n1nc2CCC(C)c2c1I	MCULE-3764631711,EMOLS-id_330961341	330.208	SKJVKABNYCLEDQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-084591
CC(n1nc2CCC(C)c2c1I)C1(C)CC1	MCULE-3148365884,EMOLS-id_330964923	330.208	XMFKEWGJVQFESN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-084592
Ic1c2CCCc2nn1CC1CCCCC1	MCULE-1284466218,EMOLS-id_324387675	330.208	JRPITQKJKRJJKH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084593
Ic1nn(CC2CCCCC2)c2CCCc12	EMOLS-id_324390736,MCULE-8936686789	330.208	WJNIEJTXVJQDRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084594
CCN1CCO[C@H]([C@@H]1C2=CN=CN2C)CNC3CCN4C3=NC=C4	PC-id_154797151	330.217	JDJWHWOZXQTNIK-FMYDAXTQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084595
CCN1CCO[C@H]([C@@H]1C2=NC=CN2C)CNC3CCN4C3=NC=C4	PC-id_154797654	330.217	JYRWGSJZYAUILG-NOYMGPGASA-N	00000010100010000001100010000000000000000000000000000000	25-01-084596
FCCn1ncc(c1)NC1CCc2c1cc(s2)Br	MCULE-8319624426,EMOLS-id_318072151	330.219	XPYICEOBQVAMPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084597
c12CN(Cc1nn(C(C)C)c2Br)C(=O)OC(C)(C)C	EMOLS-id_324339821,MCULE-9739559811	330.221	QNFXKEJUWIFNQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084598
CC1CCc2c1c(nn2Cc1ccc(Br)cc1C)C#N	EMOLS-id_331022325,MCULE-1623157506	330.222	HKYRNSTTXUBAMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084599
CC1CCc2c1c(nn2Cc1ccc(Br)c(C)c1)C#N	EMOLS-id_331018486,MCULE-5614190275	330.222	VBRYKIVPTKFRSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084600
CC1CCc2c1c(nn2Cc1ccc(C)c(Br)c1)C#N	EMOLS-id_331019510,MCULE-1466014040	330.222	XXXZXUCIDDRQKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084601
CC1CCc2c1c(nn2Cc1cc(C)cc(Br)c1)C#N	EMOLS-id_331019766,MCULE-1040357553	330.222	CAKITWMFQPOSEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084602
CC1CCc2c1c(nn2Cc1ccc(C)cc1Br)C#N	EMOLS-id_331021302,MCULE-9886488199	330.222	ALZKBPHBQHXPEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084603
CC1CCc2c1c(nn2Cc1cc(C)ccc1Br)C#N	EMOLS-id_331021558,MCULE-9552400141	330.222	NPZCDWIYXZLWMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084604
CC1CCc2c1c(nn2Cc1cccc(C)c1Br)C#N	MCULE-3915256456,EMOLS-id_331021814	330.222	DXIWMBJMBNSPPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084605
CC1CCc2nn(Cc3ccc(Br)cc3C)c(C#N)c12	MCULE-6310652825,EMOLS-id_331003056	330.222	PMVRMADTBPNOEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084606
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(C#N)c12	MCULE-4972008255,EMOLS-id_331003312	330.222	TYIHMVXVXVZECY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084607
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(C#N)c12	EMOLS-id_331004336,MCULE-4265655895	330.222	IYNZUXQYGBUKPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084608
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(C#N)c12	MCULE-8298241849,EMOLS-id_331004592	330.222	HAYIMGVGHZPMCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084609
CC1CCc2nn(Cc3cc(C)ccc3Br)c(C#N)c12	MCULE-6981009100,EMOLS-id_331002289	330.222	MDEITZNYNZUUCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084610
CC1CCc2nn(Cc3ccc(C)cc3Br)c(C#N)c12	MCULE-7037099770,EMOLS-id_331002033	330.222	LCPJZQHBGAOWQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084611
CC1CCc2nn(Cc3cccc(C)c3Br)c(C#N)c12	MCULE-9160382447,EMOLS-id_331002545	330.222	DSJZGZVNYANKTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084612
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)NC)CC(F)(F)F	MCULE-7731361639,EMOLS-id_324351597	330.23	NTEMCXOVUOSABG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084613
Brc1cc2c(s1)C(N(C2=O)CCOC1CC1)(C)C	SCHEMBL17873735,PC-id_121439711	330.241	NCKYLVMKLKHBFU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-084614
BrCC1COCCN1C(=O)c1sc2c(c1)CCC2	PC-id_116446748	330.241	SQYFLNPJXYPKPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084615
BrCC1OCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_81212360	330.241	HKYLXLNGSIJSAX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084616
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NC1CC(=O)NC1=O	EMOLS-id_320305217,MCULE-2392652419	330.263	JEDOLGZAHJVMRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084617
Brc1csc(n1)CNCc1sc2c(n1)CCC2	MCULE-9521849534,EMOLS-id_318424685	330.267	ZERSGBIVECGPOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084618
Brc1sc2c(c1)C(CC2)NC(c1csnn1)C	EMOLS-id_317918126,MCULE-3439354251	330.267	DGRPZFXOPAOMFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084619
Brc1sc2c(c1)C(CC2)NCc1snnc1C	EMOLS-id_317970261,MCULE-5183398474	330.267	SMULZDMSQCOQNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084620
Cc1nnc(s1)CNC1CCc2c1cc(s2)Br	EMOLS-id_317958560,MCULE-5466886606	330.267	XIMHCZZOLIQASZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084621
BrCCC(C(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_106355064	330.284	RMPXGQQKVXSADU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084622
BrCCCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_114008536	330.284	VJPITKLXLCTZPF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084623
BrCCCCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_107206050	330.284	INMLEULGIRUQMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084624
BrCC(CCCNC(=O)c1sc2c(c1)CCC2)C	PC-id_114151547	330.284	LYCAYBPCSXYNNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084625
BrCCC(CNC(=O)c1sc2c(c1)CCC2)CC	EMOLS-id_315074539,PC-id_113276360	330.284	LNIFHJOBGJNRLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084626
BrCCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_106143697	330.284	TXOOWNWZMONGCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084627
BrCCCN(C(C)C)C(=O)c1sc2c(CCC2)c1	PC-id_80662496,EMOLS-id_315533367	330.284	YWHKBHBPSVSAOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084628
BrCCC(NC(=O)c1sc2c(c1)CCC2)(CC)C	PC-id_106169238	330.284	KUUSKYJCTTYXHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084629
BrCCN(CCCC)C(=O)c1sc2c(CCC2)c1	PC-id_80659403,EMOLS-id_261635005	330.284	JUFHKVRCDLSRCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084630
BrCC(NC(=O)c1sc2c(c1)CCC2)CC(C)C	PC-id_113274949,EMOLS-id_260621358	330.284	AIIKYRSTIBZBEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084631
CC(CC(CNC(=O)c1sc2c(c1)CCC2)Br)C	PC-id_107157921	330.284	YMKUNUBYUCUIIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084632
CCC(NC(=O)c1sc2c(c1)CCC2)(CBr)CC	PC-id_114315183,EMOLS-id_315660373	330.284	AWQZGAXNCZEHPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-084633
CCNc1nc(Nc2cnn3CC(F)Cc23)ncc1C(F)(F)F	BindingDB-id_767412,SCHEMBL19729838	330.284	KZAUYRGPOZGTKT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084634
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(c1)N(=O)=O)C)C	STOCK6S-52483,PC-id_135654250,MCULE-1874476444,EMOLS-id_17108472	330.299	ZUJNZSPZGDOEHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084635
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)N2	PC-id_135904046,ZINC22_13726014	330.299	ZUJNZSPZGDOEHL-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084636
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)N2	ZINC22_13726018,PC-id_135904047	330.299	ZUJNZSPZGDOEHL-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-084637
O=C(C1CCC(NC1=O)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319656882	330.306	KFFVANJCJXJOHF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084638
O=C(C1CC(=O)N(C1)CC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319926131,MCULE-4313950666	330.306	RWGWKWXAAGEIIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084639
FC(COc1ncccc1S(=O)(=O)N1Cc2c(C1)cn[nH]2)F	EMOLS-id_318366329	330.31	ZWQWXZDWCUZYHZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084640
Cn1nc2c(c1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])CCC2	ZINC22_63940322,PC-id_75364483	330.314	AVDAFFKZZHEEDE-SOFGYWHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084641
Fc1cc([N+](=O)[O-])c(C=CC(=O)Nc2n(nc3c2CCC3)C)cc1	MCULE-6807669965,PC-id_71882736,EMOLS-id_300710563	330.314	AVDAFFKZZHEEDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084642
CCN(c1ccc(cc1)N=C1C(=Nn2c1nnc2C(=O)O)F)CC	SCHEMBL14599134	330.317	LRBXPAOCUBRBJG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-084643
FC1=Nn2c(nnc2C(=O)O)/C/1=N/c1ccc(N(CC)CC)cc1	PC-id_58776976	330.317	LRBXPAOCUBRBJG-GZTJUZNOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-084644
c1(Nc2ccc(cc2N(=O)=O)N(=O)=O)sc2c(CCC2)c1C#N	CoCoCo_5855141,MCULE-9698489547,SPECS-id_AT-084/J158815,EMOLS-id_3758441,ZINC22_5338037,SPECS-id_AN-153/I120914,PC-id_4445916	330.319	NJWNSKUIRMQHKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084645
FC(c1ccccc1CS(=O)(=O)c1[nH]c2c(n1)CCC2)(F)F	EMOLS-id_318631436	330.325	SPWKXVLRSIOCGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084646
O=C(c1occ2c1CCC2)NCCc1scc(n1)C(F)(F)F	EMOLS-id_318638508	330.325	ZXZJBFATMBQICV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084647
s1c2CCCc2cc1C(=O)OCCc1c([nH]nc1)C(F)(F)F	PC-id_71889739	330.325	RVKWCKDJLZJCCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084648
C[C@H](NC(=O)c1cc2c(s1)CCC2)c1nc(C(F)(F)F)n[nH]1	ZINC22_1412708027	330.329	RVIOUDQJZZGZRC-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-084649
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nc(C(F)(F)F)n[nH]1	ZINC22_1412708030	330.329	RVIOUDQJZZGZRC-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084650
COc1nc(NCc2sc3c(n2)CCC3)nc(c1)C(F)(F)F	MCULE-1732658192,EMOLS-id_318555654	330.329	OTJHPYDDZTZJTN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084651
O=C(c1cnc2n1CCC2)NCCc1scc(n1)C(F)(F)F	EMOLS-id_318514048	330.329	RTAVCAOUFGESSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084652
O=C(c1sc2c(c1)CCC2)NC(c1nnc([nH]1)C(F)(F)F)C	MCULE-7844495906,EMOLS-id_320231645	330.329	RVIOUDQJZZGZRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084653
O=C(c1sc(nc1C)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318940593	330.329	BFAULRUEILNEHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084654
O=C(c1sc(nc1C)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318804221	330.329	VIPLKOHMOOCBMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084655
O=C(Cc1scc(n1)C(F)(F)F)NCc1nn2c(c1)CCC2	MCULE-1400275105,EMOLS-id_319931771	330.329	YHIWMSHWOOVJKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084656
O=C(Cn1ccc(n1)C(F)(F)F)NCc1sc2c(n1)CCC2	EMOLS-id_318545009	330.329	SPJYHGASKAGPBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084657
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1ncc(s1)C	EMOLS-id_318497979	330.329	KLDKPUZLLZDWND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084658
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NCc1cscn1	EMOLS-id_317031190,MCULE-4774018247	330.329	CWHYSJMIOAIOBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084659
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccns1	ZINC22_1775999814	330.329	WPZJGKPVXUFBTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084660
O=C(Nc1csnc1C)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_320166878,MCULE-6430330981	330.329	UDLNMIIJXGORKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084661
O=C(NCCc1nnc2n1CCC2)c1cscc1C(F)(F)F	MCULE-3013449857,EMOLS-id_313142857,ZINC22_621370339	330.329	HKKMDMVIAXOIHF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084662
O=S(C(F)(F)F)c1ccc(cc1)NCc1nnc2n1CCC2	MCULE-2750148673,EMOLS-id_318437315	330.329	DFQHUQUUQLMKMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084663
COc1ccc(cc1)COC(=O)N1Cc2c(C1C(=O)O)cc([nH]2)C	PC-id_72811315,SCHEMBL16101214	330.335	IEBGLCLVFPRZCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084664
COC(=O)C1(CCn2c1ccc2C(=O)c1cccn1C)C(=O)OC	SCHEMBL9792206,PC-id_67929228	330.335	AYIVNIYZMVAJDE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084665
O=C(O)c1ncoc1[C@H]1CCCN(C(=O)c2occ3c2CCC3)C1	ZINC22_2325784530	330.335	QEOFSBLMBMHYFY-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-084666
O=C(O)c1ncoc1[C@@H]1CCCN(C(=O)c2occ3c2CCC3)C1	ZINC22_2325784531	330.335	QEOFSBLMBMHYFY-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084667
O(C(=O)N1[C@@H](c2c([nH]c(c2)C)C1)C(=O)O)Cc1ccc(OC)cc1	PC-id_11348066	330.335	IEBGLCLVFPRZCP-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084668
S1Cc2c(noc2NC(=O)c2[nH]nc(c2)c2ccc(F)cc2)C1	PC-id_49720047	330.337	WUNCELLPQTYZSO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084669
s1c2CCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])ccc1[O-]	PC-id_85015418	330.338	WCJIAHPAKJTNGJ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-084670
s1c2CCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])c([O-])cc1	PC-id_85015400	330.338	JQJNYBXVTPPUTA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-084671
CC(C)NC(=O)c1nc2CN(Cc2o1)C(=O)c1cccc(=O)n1C	EMOLS-id_313724835,ZINC22_2055713258	330.339	OSRYSHWHTIYFIK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084672
CC(C)NC(=O)c1nc2CN(Cc2o1)C(=O)c1cccn(C)c1=O	EMOLS-id_313746641,ZINC22_2055732375	330.339	FTDZVOJTGIBOLB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084673
CC(C)NC(=O)c1nc2CN(Cc2o1)C(=O)Cn1ccccc1=O	EMOLS-id_313720996,ZINC22_2055704369	330.339	YDYJFTPUVLFWQQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084674
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(OCC(=O)O)cc1	EMOLS-id_316401216,MCULE-2877201674,ZINC22_663109153,PC-id_146107695	330.339	KHSRRHLLWVXBLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084675
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C)OC	SCHEMBL2924040,PC-id_68442661	330.339	LQWCDKBMOVIBIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084676
COc1ccc(cc1C(=O)Nc1n[nH]c2c1CN(C2)C(=O)C)OC	SCHEMBL2919088,PC-id_68440821	330.339	DKNXSYBMHUEQRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084677
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	PC-id_68442086,SCHEMBL2922673	330.339	FABCVEPAYSQHDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084678
COc1cc(cc(c1O)OC)/C=N/NC(=O)c1n[nH]c2c1CCC2	PC-id_135704427	330.339	KGFNKBOSKNJKRI-CAOOACKPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084679
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)C	SCHEMBL2921378,PC-id_68441561	330.339	ZENFDJBWAUQCIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084680
COc1cc(OC)cc(c1)C(=O)NCC(=O)N1CCn2c1ncc2	EMOLS-id_319918354,MCULE-5380648628	330.339	YZLTWHQXIHSVMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084681
O=C(NN/C=C
/C=C(OC)C(=O)C(=C1)OC)c1n[nH]c2CCCc12	PC-id_6152094	330.339	OVFWOZLBRLPUKG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-084682
O(C(=O)n1nc(NC(=O)c2ccc(OC)cc2)c2c1CNC2)CC	PC-id_71477417	330.339	MEMAAHABMQFNHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084683
c1(sc2c(CCC2)n1)NC(=O)c1cc(F)ccc1n1cnnn1	MCULE-9959135329,EMOLS-id_323265609	330.34	CHIBBNHXTAZPKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084684
c1(sc2c(CCC2)n1)NC(=O)c1c(F)ccc(c1)n1cnnn1	MCULE-5009917691,EMOLS-id_323435712	330.34	GOIYZACOACYFNO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084685
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2cnccn2)n1	MCULE-8949271411	330.342	RZRASPXJXPWIPJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084686
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cnccn2)n1	EMOLS-id_316331324,MCULE-2616852405	330.342	RZRASPXJXPWIPJ-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-084687
Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1nnc2n1CCC2	PC-id_71861987,EMOLS-id_44578564,MCULE-3183986681,ZINC22_84186147	330.342	DWGAXMGYNASXCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084688
C#CCCC1(CCC(=O)NCc2nnc3n2C[C@@H](C(=O)O)C3)N=N1	ZINC22_2325900599	330.342	BIXHQXUDGRGJRD-JTQLQIEISA-N	00110010100000000001000010000000000000000000000000000000	25-01-084689
C#CCCC1(CCC(=O)NCc2nnc3n2C[C@H](C(=O)O)C3)N=N1	ZINC22_2325900600	330.342	BIXHQXUDGRGJRD-SNVBAGLBSA-N	00110010100000000001000010000000000000000000000000000000	25-01-084690
CN(C)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-]	CoCoCo_4560410,PC-id_25409037,ZINC22_12634603,EMOLS-id_17170628,MCULE-7125273775	330.342	CCTRRCBRYFTDDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084691
O=C1C(CCN1c1cc(nn1C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99565381	330.342	HYTRSTNOKHOODY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084692
O=C(N1CCn2c1ccn2)[C@H]1[C@@H](O)C(=O)N([C@@H]1c1cnn(c1)C)C	EMOLS-id_319761483	330.342	DKDNQYDURXSOKV-JHJVBQTASA-N	00000010100000000001100010000000000000000000000000000000	25-01-084693
c12CN(Cc1nn(CC1CCCC1)c2C(=O)NC)CC(F)(F)F	MCULE-7341272190,EMOLS-id_324350317	330.349	MDALUUYTUZCUGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084694
c12CN(Cc1nn(CC1CCCCC1)c2C=NO)CC(F)(F)F	MCULE-1025280510,EMOLS-id_324355180	330.349	HFDWTKJWDVMMGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084695
c1(C(=O)NC2CC2)n(C(C)(C)C)nc2CN(CC(F)(F)F)Cc12	MCULE-2725141145,EMOLS-id_324354149	330.349	JUPNPKINQFKYKF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-084696
c1(C(=O)N(C)C)n(CC2CCC2)nc2CN(CC(F)(F)F)Cc12	EMOLS-id_324351081,MCULE-5091962021	330.349	OEIGPWWXBPZWJW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-084697
CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1n[nH]c2c1CCC2	PC-id_146125563,ZINC22_271699431	330.349	RXVCNRZUEPNDHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084698
CCN(C(=O)c1n[nH]c2c1CCC2)C1CCN(C1)CC(F)(F)F	EMOLS-id_316561565,MCULE-7321979954	330.349	FIGMFISHINISSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084699
Cn1c(c2CCCc2n1)C(=O)NCC1CCCN1CC(F)(F)F	EMOLS-id_316975805,MCULE-3340724551,PC-id_136565858	330.349	YRAYUOIUFHQNJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084700
Cn1nc2c(c1C(=O)NC[C@@H]1CCCN1CC(F)(F)F)CCC2	ZINC22_830926787	330.349	YRAYUOIUFHQNJB-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-084701
Cn1nc2c(c1C(=O)NC[C@H]1CCCN1CC(F)(F)F)CCC2	ZINC22_830926788	330.349	YRAYUOIUFHQNJB-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084702
O=C(C1CCCN(C1)CC(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319917581,MCULE-6443985929	330.349	DXICMSPIENCXPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084703
O=C(C1CCN(CC1)CC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320079213,MCULE-5674678492	330.349	NOAHTOROASPLMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084704
O=C(C([C@@H]1CCC[C@@H](N1)C(F)(F)F)(C)C)N1Cc2c(C1)cn[nH]2	EMOLS-id_319012831	330.349	IGPNPBONZRULJO-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084705
O=C(C([C@@H]1CCC[C@@H](N1)C(F)(F)F)(C)C)N1CCn2c1ccn2	EMOLS-id_319243821	330.349	HKGJSFXKCABALU-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084706
O=C(N1CCC(C1(C)C)C(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101574933	330.349	LBTLELISVSBDRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084707
O=C(N1CCC(CC1)CC(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101422830	330.349	ZYGHXZABIYJCMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084708
O=C(N1CCCC(C1)CC(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_102012138	330.349	HZYURHNZGSRFSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084709
O=C(NC1CCn2c1ncc2)CC1CCN(CC1)CC(F)(F)F	EMOLS-id_319657207	330.349	CQGZAJPYUATTTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084710
O=C(NCCc1nnc2n1CCC2)[C@@H]1CCCC[C@H]1C(F)(F)F	MCULE-3743037314,EMOLS-id_313137737,ZINC22_65011098	330.349	SWJFXOAIEJWEJU-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084711
O=C(NCCc1nnc2n1CCC2)[C@H]1CCCC[C@@H]1C(F)(F)F	ZINC22_618217301	330.349	SWJFXOAIEJWEJU-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084712
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)[C@H](C)NC(=O)C	MCULE-8556225703,ZINC22_67691332,PC-id_56750068,EMOLS-id_36592898	330.357	CNOHOAMMMBPKBJ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-084713
C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1nnc2n1CCC2	PC-id_95156029,ZINC22_65591370	330.357	KHKQGUZQXXQTIX-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-084714
C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1nnc2n1CCC2	PC-id_95156030,ZINC22_65591371	330.357	KHKQGUZQXXQTIX-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084715
COc1ccc(cc1F)/C=CC(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4880102	330.357	LWPDUMNWKPJWBG-VURMDHGXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084716
COc1ccc(cc1F)C=CC(=O)N(Cc1nnc2n1CCC2)C	MCULE-7756897437,PC-id_72155291,EMOLS-id_31936722	330.357	LWPDUMNWKPJWBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084717
COc1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)cc1F	CoCoCo_4880101,PC-id_45819267,ZINC22_40523045	330.357	LWPDUMNWKPJWBG-SOFGYWHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084718
Fc1ccccc1C(C(=O)N1CCn2c1ccn2)N1CCOCC1	MCULE-2387588563,EMOLS-id_316052893	330.357	ZVMRKSVZELLOQY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-084719
Fc1cccc(c1)OC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319519400	330.357	QBCDRRICGGPJGY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-084720
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)C(NC(=O)C)C)cc1	PC-id_76407365	330.357	CNOHOAMMMBPKBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084721
Fc1ccc(C(=O)CCC(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_45819275	330.357	SABFOJJQSJVVIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084722
Fc1ccc(C(=O)CCC(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_53517734,MCULE-1873498153,EMOLS-id_35706346	330.357	KHKQGUZQXXQTIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084723
Fc1cnccc1C(=O)N1Cc2c(C1)nc(o2)CN1CCCCC1	PC-id_97406077	330.357	GDBMCTKMEYLPCU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-084724
O=C(NC1CCC(CC1)(F)F)NCCc1nc2n(c1)CCS2	EMOLS-id_99855035	330.397	RKCPBVPWNKSPQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084869
O=C(c1cc2n(n1)CCC2)N1CCC[C@@H](Oc2ncccc2F)C1	ZINC22_295034625	330.357	AAVNRIYGIHKOGA-CYBMUJFWSA-N	00000010100010101001000010000000000000000000000000000000	25-01-084725
O=C(c1cc2n(n1)CCC2)N1CCC[C@H](Oc2ncccc2F)C1	ZINC22_295034630	330.357	AAVNRIYGIHKOGA-ZDUSSCGKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-084726
O=C(c1ncc(cc1F)OCC1CC1)NC1CC(n2c1ncc2)C	EMOLS-id_318904505	330.357	VAYHCAPDROUXLZ-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-084727
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)Oc1ncccc1F	EMOLS-id_316153135,MCULE-1368006422	330.357	AAVNRIYGIHKOGA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-084728
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)(F)Cc1ccccn1	MCULE-9459713790,EMOLS-id_320049822	330.357	PLADVZYASOZMNK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-084729
O=C([C@H](c1ccccc1F)N1CCOCC1)N1CCn2nccc12	ZINC22_375545536	330.357	ZVMRKSVZELLOQY-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-084730
O=C([C@@H](c1ccccc1F)N1CCOCC1)N1CCn2nccc12	ZINC22_375545538	330.357	ZVMRKSVZELLOQY-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-084731
O=C(N1CCn2c1ncc2)Nc1ccc(c(c1)F)OC1CCCC1	EMOLS-id_318566330	330.357	NBNYZSPVKCAMLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084732
c1(NC(=O)COc2cc(C)oc(=O)c2)sc2c(CCC2)c1C#N	MCULE-5022948015,EMOLS-id_324819158	330.358	ALIFIDKGTVXCRR-UHFFFAOYSA-N	00000010100000100000000010000000000000000000000000000000	25-01-084733
c1(NC(=O)COc2coc(C)cc2=O)sc2c(CCC2)c1C#N	EMOLS-id_324823479,MCULE-8918231976	330.358	WFIXYNAVRKKAOT-UHFFFAOYSA-N	00000010100000100000000010000000000000000000000000000000	25-01-084734
s1c2c(CCC2)c(c1N=Cc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_23740462	330.358	YJMVBTUKOMBQLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084735
s1c2c(CCC2)c(c1N=Cc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_23990824	330.358	LCWMNAKMFPTILB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084736
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(occ1)C)C#N	PC-id_8967361	330.358	DYVWFMQHMYZTHN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-084737
Brc1c2c(sc1)C([Si](NC(C)(C)C)(C)C)C=C2	PC-id_58526158,SCHEMBL818319	330.359	RRMCYQROJGPQLS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-084738
COC(=O)CC1OCCN(C1)S(=O)(=O)n1nc2c(c1)CNC2	PC-id_141764706	330.36	YSQSXVVAOGZGOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084739
Fc1c(C2NNC(C2)C(=O)NCc2n3CCCc3nn2)cccc1	PC-id_77851581	330.36	LVGJEUFUDNSSMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084740
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)N)C	SCHEMBL18617505	330.36	KJCQIVKOGVHKPA-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084741
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)N)C	SCHEMBL21081610,PC-id_138705444	330.36	KJCQIVKOGVHKPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084742
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)n(C)nc2CSCc12	MCULE-2110878584	330.362	JGZKAXATVOIJQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084743
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)n(C)nc2CSCc12	MCULE-5886186415	330.362	BGVPFDQPXJCVFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084744
c1(NC(=O)CCn2ccc(=O)[nH]c2=O)sc2c(CCC2)c1C#N	EMOLS-id_182617466,MCULE-8174101449,PC-id_108801630	330.362	NLVMAMVZMANIIO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084745
c1(NC(=O)COC(=O)c2ccnn2C)sc2c(CCC2)c1C#N	MCULE-1546769434,PC-id_787443,EMOLS-id_31547082,ZINC22_285543	330.362	VTHPUINDPBBHRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084746
CC(C)(C)c1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324849889	330.362	JXBPNWQKVRIPLY-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084747
CC(C)(C)c1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324850918	330.362	VWEZNYMCABUFTF-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084748
CC(C)(C)c1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324851945	330.362	GPZLFOVTOITRDI-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084749
CC(C)Cc1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324856045	330.362	QBJJSGPLYTWYLY-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084750
CC(C)Cc1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324858086	330.362	UKGHWBACWLHHEO-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084751
CC(C)Cc1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324861154	330.362	ZPKWKTVQIGYYMN-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084752
Cn1c(c(c(=O)n(c1=O)C)/C=N/c1c(c2c(s1)CCC2)C#N)O	PC-id_135538439	330.362	UJTWFRYQEHJFEQ-REZTVBANSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084753
CN1C(=O)C(=CNc2sc3c(c2C#N)CCC3)C(=O)N(C)C1=O	CoCoCo_3927884,PC-id_6235626,MCULE-8692722614,CoCoCo_3927883,ZINC22_6600603	330.362	XNRBQUNIETXZGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084754
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]	EMOLS-id_334561727	330.362	JGZKAXATVOIJQI-QPJJXVBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084755
Cn1nc2CSCc2c1NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]	EMOLS-id_334565305	330.362	BGVPFDQPXJCVFG-AATRIKPKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084756
COC(=O)c1cc2[nH]c(C(=O)N3Cc4cnn(C)c4C3)cc2s1	ZINC22_1875284308	330.362	QGMBVINMRKVYAG-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-084757
n12c(=O)c(=Cc3ccc(cc3)N(=O)=O)sc1nc(C(C)(C)C)n2	MCULE-6625214486	330.362	JXBPNWQKVRIPLY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084758
n12c(=O)c(=Cc3cccc(c3)N(=O)=O)sc1nc(C(C)(C)C)n2	MCULE-7024228276	330.362	VWEZNYMCABUFTF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084759
n12c(=O)c(=Cc3ccccc3N(=O)=O)sc1nc(C(C)(C)C)n2	MCULE-9619794200	330.362	GPZLFOVTOITRDI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084760
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CC(C)C	MCULE-1812186548	330.362	UKGHWBACWLHHEO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084761
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CC(C)C	MCULE-2535892406	330.362	ZPKWKTVQIGYYMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084762
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CC(C)C	MCULE-5760865401	330.362	QBJJSGPLYTWYLY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-084763
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)C)C#Cc1ccccc1	SCHEMBL2919062,PC-id_68440808	330.362	GEDRXIHZJBSDIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084764
O=S(=O)(Nc1cnoc1c1ccccc1)c1cnc2n1CCC2	ZINC22_390835047,PC-id_121588194,EMOLS-id_73051762,MCULE-9884851738	330.362	BRXVXNPCXCXXGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084765
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCCC(=O)N	PC-id_59043162	330.362	ACIIYDKTPGOPPO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084766
Cn1ccc(n1)c1scc(n1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_318872145	330.365	VXCDOWRWZWVSNU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084767
O=C(Nc1nnc(s1)c1ccco1)NCc1[nH]nc2c1CCC2	CoCoCo_1342166,PC-id_31004496,CoCoCo_1342165	330.365	PJRKAEUUWWKOFO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-084768
S1CCn2c1nc(NC(=O)C(=O)c1c(n(nc1C)C)C)c2C#N	PC-id_60324143	330.365	CFAXSIBJMOQRJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084769
c1(n[nH]cc1C(=O)NCCc1sc2c(CCC2)n1)n1cnnn1	EMOLS-id_55636072,PC-id_91771765,ZINC22_219568134,MCULE-4259772421	330.368	GOXLNEALZBDEIK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084770
CC(c1scc(n1)C(F)(F)F)NC(c1nn2c(c1)CCC2)C	MCULE-4641385722,EMOLS-id_318027669	330.372	FIVLSEHKCQQCLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084771
Fc1cc(ccc1F)S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318746163	330.373	VHJIFAGRSOAJFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084772
c1c(OCC)c(C(=O)Nc2sc3CCCc3c2C#N)ccc1F	EMOLS-id_328101414,MCULE-5794008210	330.377	DADKGBNCYHVDQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084773
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	MCULE-4059713119,PC-id_73552375	330.377	LROUBHHMHSYHSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084774
COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1F	PC-id_75493183,MCULE-3455830556,ZINC22_61198090,EMOLS-id_49290347	330.377	JSHMCASZDKUHRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084775
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NC1CC1	EMOLS-id_44303574,ZINC22_96146800,PC-id_97442327	330.377	YWKCGAVGQKEUCV-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-084776
Fc1ccccc1NC(=O)c1cc2N(CCc2s1)C(=O)C1CC1	ZINC22_96264593,PC-id_97524532,EMOLS-id_44379034	330.377	XMCYVMUFURRVOZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-084777
Fc1ccc(OCCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-3835256513,EMOLS-id_322821672	330.377	ILLGWWOFPGKFNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084778
NC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2CCCc12	EMOLS-id_181348380,PC-id_19175832	330.377	LROUBHHMHSYHSK-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084779
s1c2CCCc2c(c1NC(=O)[C@@H](Oc1ccc(F)cc1)C)C#N	PC-id_7290092	330.377	LPXXUBSMIKQXSR-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-084780
s1c2CCCc2c(c1NC(=O)[C@H](Oc1ccc(F)cc1)C)C#N	PC-id_7290093	330.377	LPXXUBSMIKQXSR-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084781
s1c2CCCc2c(c1NC(=O)[C@H](OC)c1ccc(F)cc1)C#N	PC-id_30309614	330.377	DRVKOXLRVUVGSK-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084782
s1c2CCCc2c(c1NC(=O)[C@@H](OC)c1ccc(F)cc1)C#N	PC-id_30309619	330.377	DRVKOXLRVUVGSK-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084783
s1c2CCCc2c(c1NC(=O)C(Oc1ccc(F)cc1)C)C#N	PC-id_3446142	330.377	LPXXUBSMIKQXSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084784
s1c2CCCc2c(c1NC(=O)C(OC)c1ccc(F)cc1)C#N	PC-id_43902739	330.377	DRVKOXLRVUVGSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084785
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2OC)OC)n1	EMOLS-id_330992117,MCULE-4631716550	330.378	PSXYRDJIVMFWPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084786
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(OC)c2)OC)n1	MCULE-5067273427,EMOLS-id_330991861	330.378	WPGLEQJIUDLPND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084787
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1OC)OC	MCULE-9138503775,EMOLS-id_330973873	330.378	VWJYTOJUPCFMSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084788
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)OC	EMOLS-id_330973617,MCULE-1222627322	330.378	UEPOGYUQEIPWTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084789
CCC1(CCn2c1cc(c2C(=O)c1ccc(n1C)OC)C)C(=O)O	SCHEMBL10645798,PC-id_70411579	330.378	FHNXFPILUIYFRZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084790
CCCOc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_70410413,SCHEMBL10641364	330.378	PQKUHZKSSIHJFT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084791
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)OC)C	PC-id_70410407,SCHEMBL10641350	330.378	QIUNICBDSKIEPW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084792
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1O	MCULE-8000138721,EMOLS-id_331008424	330.378	YNUDSKMJJONYDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084793
s1c2c(CCC2)c(c1N/C=C
/C(=CC(=O)C=C1)[O-])C(=O)OCC	PC-id_51517565	330.378	RPYBZJDFBFSWIZ-MDZDMXLPSA-M	00000010100011000000000010000000000000000000000000000000	25-01-084794
s1c2c(CCC2)c(c1NC=C1C(=CC(=O)C=C1)[O-])C(=O)OCC	PC-id_75663816	330.378	RPYBZJDFBFSWIZ-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-084795
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)c1cccnc1	SCHEMBL1005559	330.38	HAYLXEUQZAHVDY-LFIBNONCSA-N	00000010100000111000100010000000000000000000000000000000	25-01-084796
COC(=O)c1cc2c([nH]1)CCC2=Cc1cccc(c1)c1cccnc1	SCHEMBL1005560,PC-id_87186806	330.38	HAYLXEUQZAHVDY-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-084797
O=C(Nc1ccccc1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_58607759	330.38	GGUJFRAJSMXXAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084798
Cc1ccc(CN2Cc3c(C2)n(C)nc3C(=O)N2CCOCC2)o1	ZINC22_96187552,PC-id_97462010,EMOLS-id_44325403	330.382	GBAAIVMGGDKZOI-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084799
Cc1noc(c1)C1(CCOCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319618612	330.382	SXQNTOLBXRDQGC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084800
CCc1ccc(o1)CN1Cc2c(C1)[nH]nc2C(=O)N1CCOCC1	PC-id_97389041	330.382	GSBASXGVZTZDQI-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084801
CCc1[nH]c(C(=O)Nc2c3c(nn2C)CCC3)c(C)c1C(=O)OC	PC-id_47074582,EMOLS-id_32093618,ZINC22_48302577,MCULE-3580458294	330.382	CLQGZALIULROOE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-084802
CCN(C(=O)c1cnn2c1CCC2)Cc1c(CO)cnc(c1O)C	EMOLS-id_319250379	330.382	CRVFLKGXQKHVAP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084803
CCOc1ccc(cc1OC)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_35706316,PC-id_53519420,MCULE-5955718060	330.382	ANJNQIPWJSTSNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084804
CCOc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc1OC	PC-id_95158704,ZINC22_65609778	330.382	ANJNQIPWJSTSNO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-084805
CCOc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc1OC	PC-id_95158705,ZINC22_65609779	330.382	ANJNQIPWJSTSNO-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084806
CC(=O)NCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109493	330.382	NWOBPQYXIWCESU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-084807
O=C(c1occc1CN1CCOCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318795982	330.382	BQHVBNPDCFGHSO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084828
Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2occ3c2CCC3)C1	MCULE-1106978556,EMOLS-id_316113312,ZINC22_952848281	330.382	DMMBRXGOABQMFY-OUCADQQQSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084808
COc1cccc(c1)COC(C(=O)NCc1nnc2n1CCC2)C	PC-id_45819632,MCULE-1520524476,EMOLS-id_31938708	330.382	OGSZSMFEJUGUHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084809
COc1cccc(c1)COCC(=O)NC(c1nnc2n1CCC2)C	PC-id_45823545,EMOLS-id_31957701,MCULE-3309030667	330.382	YZMWGASZZCXUIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084810
COc1ccc(cc1)OCCC(=O)NC(c1nnc2n1CCC2)C	MCULE-9106804066,PC-id_53518729,EMOLS-id_35706322	330.382	UNPPQQLHEMYIEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084811
COc1cccc(COCC(=O)N[C@H](C)c2nnc3n2CCC3)c1	PC-id_94025834,ZINC22_44939865	330.382	YZMWGASZZCXUIR-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084812
COc1cccc(COCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1	ZINC22_44939861,PC-id_94025833	330.382	YZMWGASZZCXUIR-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084813
COc1cccc(CO[C@@H](C)C(=O)NCc2nnc3n2CCC3)c1	PC-id_93925447,ZINC22_42955016	330.382	OGSZSMFEJUGUHO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084814
COc1cccc(CO[C@H](C)C(=O)NCc2nnc3n2CCC3)c1	PC-id_93925448,ZINC22_42955019	330.382	OGSZSMFEJUGUHO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084815
COc1cc(CCC(=O)NCc2nnc3n2CCC3)cc(c1)OC	PC-id_40111129,CoCoCo_4491073	330.382	YQESVZINLHFVPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084816
COc1ccc(CC(=O)N[C@@H](C)c2nnc3n2CCC3)c(OC)c1	PC-id_95156173,ZINC22_65591681	330.382	QCBMVJRUYMSMAV-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-084817
COc1ccc(CC(=O)N[C@H](C)c2nnc3n2CCC3)c(OC)c1	PC-id_95156174,ZINC22_65591683	330.382	QCBMVJRUYMSMAV-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084818
COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCn3ccnc23)c(OC)c1	ZINC22_1615615422	330.382	QELWFHQWORYCCD-BXUZGUMPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084819
COc1ccc([C@@H](C)NC(=O)N[C@H]2CCn3ccnc23)c(OC)c1	ZINC22_1615615423	330.382	QELWFHQWORYCCD-RISCZKNCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084820
COc1ccc(OCCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1	PC-id_95157562,ZINC22_65606121	330.382	UNPPQQLHEMYIEE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084821
COc1ccc(OCCC(=O)N[C@H](C)c2nnc3n2CCC3)cc1	ZINC22_65606125,PC-id_95157563	330.382	UNPPQQLHEMYIEE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084822
COc1cc(C(=O)NCc2nnc3n2CCC3)ccc1OC(C)C	MCULE-9507506902,PC-id_25657835,ZINC22_12997190,CoCoCo_4560454,EMOLS-id_18911512	330.382	PLSXUZFKSMCVJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084823
COc1cc(OC)ccc1CC(=O)NC(c1nnc2n1CCC2)C	MCULE-3909055925,PC-id_53517817,EMOLS-id_35691650	330.382	QCBMVJRUYMSMAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084824
COc1cc(OC)ccc1[C@H](NC(=O)NC1CCn2c1ncc2)C	MCULE-9370080820,EMOLS-id_317035583	330.382	QELWFHQWORYCCD-YNODCEANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084825
COCc1n[nH]c(n1)C1CCCCN1C(=O)c1occ2c1CCC2	EMOLS-id_318306538	330.382	DWWWPPHZDBPXDJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084826
O=C(c1ccc(o1)CN1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_320331140,MCULE-5029604694	330.382	YXEGALUUUKOSCQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084827
O=C(NN=Cc1ccc(c2ccccc2)cc1)c1n[nH]c2CCCc12	PC-id_2045856	330.383	FKWGDMGLAOLTSX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-084829
c1(cc(nn1C)C)C(=O)NC1Cc2n(nc(C(=O)NC(C)C)c2)C1	MCULE-2875080457	330.385	YBTNISRBHCLNFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084830
c1(cc(nn1C)C)C(=O)N[C@H]1Cc2n(nc(C(=O)NC(C)C)c2)C1	MCULE-8782918041,EMOLS-id_316327227	330.385	YBTNISRBHCLNFL-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-084831
c1(C(=O)N2CCC(CC2)c2n[nH]c(=O)n2CC)c2CCCc2[nH]n1	PC-id_50962512,EMOLS-id_32395438,MCULE-3047142066,ZINC22_67804533	330.385	WEGLTYCCWWSMCH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084832
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2cc(n(C)n2)C)n1	MCULE-4059558580	330.385	CZLNZTOHJZATCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084833
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccn(CC)n2)n1	MCULE-1846978021,EMOLS-id_316326716	330.385	UPCSFISXSRFCKY-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-084834
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2cc(n(C)n2)C)n1	EMOLS-id_316328250,MCULE-7709212733	330.385	CZLNZTOHJZATCA-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-084835
c1(C(=O)NCCNc2nc(CC)cc(=O)[nH]2)c2CCCc2n(C)n1	MCULE-4077791486,PC-id_136370506,EMOLS-id_320482059	330.385	CIKKOCQNMGLVKF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-084836
Cc1cc(C)c(CNC(=O)N(C)Cc2nnc3n2CCC3)c(=O)[nH]1	MCULE-4106354650,ZINC22_75117870,EMOLS-id_42952668,PC-id_72050254	330.385	CCPOMJNAJBOWEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084837
CCc1[nH]nc(n1)[C@@H]1C[C@H](CN1C(=O)c1n(C)nc2c1CCC2)O	MCULE-8833449714,EMOLS-id_320308844	330.385	WVTUDMYMSUCWJU-SKDRFNHKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-084838
CCCCOc1ccc(cn1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319009339	330.385	ZDTXGGGGGGHBIQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084839
CC(COc1ccc(cn1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319427179	330.385	YGSNHDHVEKEFBV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084840
CCn1ccc(n1)C(=O)NC1Cn2c(C1)cc(n2)C(=O)NC(C)C	MCULE-2126053733	330.385	UPCSFISXSRFCKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084841
CC(Oc1ncc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C)C	EMOLS-id_319326013	330.385	CHMLMXQTBYSHDS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084842
CN=C(Nc1ccc(c(c1)OC)OC)NCc1nnc2n1CCC2	PC-id_109573007	330.385	VIZZAWQGHJNGAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084843
COc1c(C)cnc(CNC(=O)NCc2nnc3n2CCC3)c1C	EMOLS-id_42868580,ZINC22_65388353,PC-id_72150436,MCULE-1026214614	330.385	IFLRZGDVVXBTKN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-084844
COc1cc(CN=C(NCc2nnc3n2CCC3)N)ccc1OC	PC-id_111039269	330.385	LRZLVVNWOAXMOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084845
N/C(=Cc1c(N)[nH]c2c1CCC2)/CCCCn1nnc(c1)C(=O)O	PC-id_144993084	330.385	PMUGGMBTYJDJTC-NTMALXAHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084846
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)Cc1c(C)noc1C	EMOLS-id_318919694	330.385	GKQVFZRTGDBGRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084847
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)Cc1oc(c(n1)C)C	EMOLS-id_319027521	330.385	GUQLVGULEKTGBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084848
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)c1nncn1C(C)C	EMOLS-id_99566680	330.385	JEASGMORDSWQQM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084849
O=C(c1n[nH]c2c1CCC2)Nc1ccn(n1)CCN1CCOCC1	EMOLS-id_98811901	330.385	GQZUBLLSAXDMOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084850
O=C(Nc1n(C)nc2c1CCC2)CN(C(=O)C(n1cccn1)C)C	EMOLS-id_98830183	330.385	BKWMDXSEPWQCOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084851
O=C(NCc1nnc2n1CCC2)N1CCN(Cc2ccco2)CC1	EMOLS-id_36261071,MCULE-3745855494,PC-id_53521878,ZINC22_55078111	330.385	LMEJOZIGMWAVQG-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084852
CN(c1ccccc1)c1ccc(cn1)C=c1c(C)nn2c1nnc2C	SCHEMBL13987971,PC-id_59856429	330.386	RPKKWUNZVRXRMB-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-084853
Cn1cnnc1[C@H]1CCCN(C(=O)NCc2nnc3n2CCC3)C1	PC-id_97076102,ZINC22_89761905	330.388	AHUANZXKDHIOTR-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-084854
Cn1cnnc1[C@@H]1CCCN(C(=O)NCc2nnc3n2CCC3)C1	ZINC22_89761904,PC-id_97076101	330.388	AHUANZXKDHIOTR-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084855
N#Cc1c(NC(=O)Cc2cn3ccsc3n2)nc2n1CCS2	EMOLS-id_42894991,MCULE-3103644911,ZINC22_72287804,PC-id_72132823	330.388	PBLKYDCUKOUUCM-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-084856
O=C(N1CC(CCC1)c1n(cnn1)C)NCc1n2CCCc2nn1	PC-id_71893457,EMOLS-id_45753822,MCULE-5955457149	330.388	AHUANZXKDHIOTR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-084857
s1c2CCCc2nc1C(N)c1ccc(SC(F)(F)F)cc1	PC-id_61332665	330.392	OPSWDJUBEICMDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084858
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1C)F	EMOLS-id_330979519,MCULE-1956555421	330.397	RPVNGQXMLYAWGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084859
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1F)C	EMOLS-id_330979261,MCULE-6375757661	330.397	IVAGYSWETXZPMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084860
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(C)c1F	MCULE-1291307678,EMOLS-id_330983088	330.397	BFHRBBQLPVPIEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084861
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)F	MCULE-1634829975,EMOLS-id_330979775	330.397	VPBDYDKCHWUDBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084862
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(C)ccc1F	MCULE-3374658815,EMOLS-id_330982576	330.397	MSQVPAARJXAULR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084863
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(C)cc(F)c1	MCULE-9055423564,EMOLS-id_330982832	330.397	MLHHDKBPFVIAJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084864
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)C	MCULE-3007229592,EMOLS-id_330979005	330.397	WXSUWHZZQZXQGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084865
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(F)ccc1C	MCULE-2944896889,EMOLS-id_330983345	330.397	GHCIBAIZZIOSRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084866
CCOC(=O)c1c2C(C)CCc2nn1C(C)c1c(C)cccc1F	MCULE-4320388928,EMOLS-id_330983601	330.397	USVGASNJWPTPKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084867
FC(C1CCN(CC1)C(=O)NCCc1nc2n(c1)CCS2)F	EMOLS-id_99889901	330.397	GBMSMBWQYORRNX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084868
CCOC(=O)c1c(CC(=O)Oc2ccccc2)sc2c1CCC2	MCULE-8110187019,GD-id_ZINC26895472,EMOLS-id_15765514,ZINC22_26895472,CoCoCo_6062870,PC-id_34177151	330.398	WUJZRTOYEWWRPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084870
COc1ccccc1C(=O)c1c(C)sc2c1CCC2CC(=O)O	PC-id_20213632,SCHEMBL10741503	330.398	VBVDBTFRRJJSRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084871
COc1ccc(cc1)C(=O)C(OC(=O)c1sc2c(c1)CCC2)C	MCULE-3146794059,EMOLS-id_44511893,PC-id_71905309	330.398	GRQXTDOJJYVVHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084872
COc1ccc(C(=O)C)cc1COC(=O)c1cc2c(s1)CCC2	EMOLS-id_43696732,PC-id_3977597,CoCoCo_2840800,MCULE-4581318754,ZINC22_4581427	330.398	LSJSIPNPRLDSGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084873
COc1ccc(C(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)cc1	PC-id_7291937,ZINC22_4581533	330.398	GRQXTDOJJYVVHG-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-084874
COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)cc1	PC-id_7291938,ZINC22_4581534	330.398	GRQXTDOJJYVVHG-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084875
CC1CC(c2n1ncn2)NCC1(CCOCC1)c1ccc(cc1)F	EMOLS-id_318687606,MCULE-9222863648	330.4	NGLHHRFDONKWNN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084876
CCCN(CCc1cccc(F)c1)C(=O)N[C@@H]1CCn2ccnc12	ZINC22_1478686027	330.4	YOOPJRGEVJBPIS-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084877
CCCN(C(=O)NC1CCn2c1ncc2)CCc1cccc(c1)F	EMOLS-id_316929386,MCULE-7614546593	330.4	YOOPJRGEVJBPIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084878
C[C@@H]1O[C@H](C)CN(C1)c1cc(cc(c1)F)NC1CCn2c1ncc2	EMOLS-id_318789160,MCULE-6001056306	330.4	OEMDSWKKFQLKKA-MPYYAJLASA-N	00000010100010110001100010000000000000000000000000000000	25-01-084879
CN([C@H](C(=O)N(Cc1n[nH]c2c1CCC2)C)c1cccc(c1)F)C	PC-id_95214926	330.4	MAWRLGOKFDQOGC-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084880
CN([C@@H](C(=O)N(Cc1n[nH]c2c1CCC2)C)c1cccc(c1)F)C	PC-id_95214927	330.4	MAWRLGOKFDQOGC-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084881
COc1cc(F)ccc1N1CCN(Cc2cnc3n2CCC3)CC1	PC-id_146136308,ZINC22_667641922	330.4	IKJOSXMNMPCRNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084882
Fc1cccc(c1)C1(CCOCC1)CNC1CC(n2c1ncn2)C	MCULE-6931589752,EMOLS-id_318580592	330.4	RMXPXFJPKDQRMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084883
Fc1ccc(c(c1)CNC1CC(n2c1ncc2)C)N1CCOCC1	MCULE-9617510251,EMOLS-id_318365237	330.4	OUKGTSHMQBJZNK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084884
Fc1cc(C(N(C)C)C(=O)N(Cc2n[nH]c3c2CCC3)C)ccc1	PC-id_50973763	330.4	MAWRLGOKFDQOGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084885
c12CCCc1sc(NC(=O)COc1ccc(C)cc1)c2C(=O)N	PC-id_3153451,CoCoCo_346219,EMOLS-id_1477766,BAS-06183638,MCULE-5431525443,ZINC22_4570170	330.401	AFZYTIQEYBAFGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084886
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)OC(C)C	MCULE-1183682143,EMOLS-id_2043176,ChEMBL-DNDi_CHEMBL7948209,ZINC22_2872784,TIMTEC347113,PC-id_2225434,CoCoCo_543004	330.401	NYXOBOUQSQLNQX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084887
c1(c2CCCc2sc1NC(=O)c1ccoc1C)C(=O)NC1CC1	TIMTEC564805,MCULE-8088241310,EMOLS-id_13332157,ZINC22_13328825,PC-id_17173489,CoCoCo_1075579	330.401	YBVAQXDUSZJLQX-UHFFFAOYSA-N	00100010101000000000000010000000000000000000000000000000	25-01-084888
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccccc1OC	EMOLS-id_2757214,PC-id_722855,MCULE-1906851033,CoCoCo_5995182,ZINC22_127323	330.401	WHEXFLZMMKMVLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084889
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccc(cc1)OC	EMOLS-id_8301595,CoCoCo_5950128,ZINC22_127221,MCULE-3067280228,PC-id_722810	330.401	JHETUZUUPYOCPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084890
c1(ccccc1N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328012955,MCULE-7930140227	330.401	ANPQUIYJRAAKDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084891
c1(ccc[nH]1)C=CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-5747306248	330.401	VTEXKHLDDLCOHP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084892
c1(cncc(C)c1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327978188,MCULE-2137720425	330.401	WKQCCVJWESRILN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084893
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)N	EMOLS-id_1477690,CoCoCo_346181,ChEMBL-DNDi_CHEMBL7846-1090,MCULE-8973973079,BAS-06179890,PC-id_867660,ZINC22_432224,NSC744103	330.401	IWJOYRGCTJVWQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084894
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590249,MCULE-6543261343,PC-id_7474980,EMOLS-id_16349093,ZINC22_5055680	330.401	CQMBZNRKAWKPJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084895
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)NC	ZINC22_5055729,EMOLS-id_16349153,PC-id_7475028,MCULE-6591418931,CoCoCo_2590287	330.401	UKDUYRJDUWVFPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084896
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCO	MCULE-2259402176,PC-id_1659765,EMOLS-id_179141367	330.401	UWCMZQWBQXFHRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084897
c1(NC(=O)c2cccc(C)c2OC)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/I293176,PC-id_959643,SPECS-id_AP-970/41728630,ZINC22_568696,CoCoCo_936800,MCULE-3708274893,EMOLS-id_4011730,TIMTEC232260	330.401	JBACMJRUYIRUTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084898
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_16349091,CoCoCo_2590248,ZINC22_5055679,PC-id_7474979,MCULE-5422744065	330.401	OQPBIGAAMHUQTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084899
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)N	MCULE-5292723713,ZINC22_467924,PC-id_892076,EMOLS-id_2306969,CoCoCo_939023	330.401	ODBXIPQWBIANEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084900
c1(NC(=O)Cc2ccccc2OC)sc2c(CCC2)c1C(=O)N	EMOLS-id_2547240,ZINC22_6249029,TIMTEC397025,CoCoCo_1049608,MCULE-8446740573,PC-id_6468333	330.401	QCPPRRDBKHWXHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084901
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	MCULE-7717350483,CoCoCo_3218611,EMOLS-id_3423392,PC-id_4792142,ZINC22_6127896,TIMTEC29100	330.401	ACLCGQDFVBPXSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084902
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)n1	MCULE-9494684753	330.401	NVSLYGWGIYXHNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084903
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)n1	MCULE-5464571720	330.401	OVPLUHGLTHAFAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084904
c1(NC(=O)COc2ccccc2OCC=C)sc2c(CCC2)n1	MCULE-5538724285,EMOLS-id_334662870	330.401	HTOMOABAZZXVIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084905
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)NC	PC-id_7475042,ZINC22_5055745,CoCoCo_2590299,EMOLS-id_16349179,MCULE-8358464098	330.401	YHRYQBVTUZAXIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084906
c1(NC(=O)Nc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_30081112,PC-id_44216476,MCULE-4644897535,CoCoCo_6964795,ZINC22_36646052,SPECS-id_AO-476/43417029	330.401	QUQYDNBXUKOKTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084907
c1(NC(=O)Nc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1243992,BAS-00570372,ZINC22_43973,MCULE-7273199937,CoCoCo_96736,ChEMBL-DNDi_CHEMBL1000-0942,SCHEMBL13235100,PC-id_679571	330.401	CVDPSFUGGTXNPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084908
c1(NC(=O)NCc2ccccc2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AO-476/43417026,PC-id_44216474,EMOLS-id_30081108,MCULE-3075738502,ZINC22_36646050,CoCoCo_6964793	330.401	JCEQLCGNEBESHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084909
Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3180203,PC-id_2440548,ZINC22_3325004,MCULE-9643903008,CoCoCo_3169393	330.401	IRKREPPJCXCMOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084910
Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	EMOLS-id_45710161,PC-id_2440553,ZINC22_3325009,MCULE-2017195686	330.401	XWRVBVHFOYHSLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084911
Cc1oc(c(n1)C)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170443	330.401	GZTYNOBYDMLXMS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-084912
CCC(c1ccccc1)NC(=O)c1cc(c2n1CCS2)C(=O)O	PC-id_89733971	330.401	LOKZHOGADCYIKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084913
CCC(c1ccccc1)NC(=O)c1cc(c2n1CSC2)C(=O)O	PC-id_89734095	330.401	RYDWFRKFSIHBOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084914
CC[C@H](c1ccccc1)NC(=O)c1cc(c2n1CCS2)C(=O)O	SCHEMBL15166112	330.401	LOKZHOGADCYIKJ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084915
CC[C@H](c1ccccc1)NC(=O)c1cc(c2n1CSC2)C(=O)O	SCHEMBL15166254	330.401	RYDWFRKFSIHBOU-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084916
CCC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1	EMOLS-id_43971858,ZINC22_14112678,PC-id_16616086,MCULE-2737540799,CoCoCo_4164098	330.401	WKURYFIZAIFYBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084917
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)Oc1ccccc1	PC-id_40987275,CoCoCo_3218634	330.401	OMZUJTHKWVRSNC-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-084918
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)Oc1ccccc1	PC-id_40987276,CoCoCo_3218635	330.401	OMZUJTHKWVRSNC-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084919
C/C(=NNC(=O)c1cc2c(s1)CCC2)/c1c(cc(cc1)OC)O	PC-id_135749602	330.401	OXSHKANEVTVSMS-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084920
C/C(=NNC(=O)c1cc2c(s1)CCC2)/c1c(ccc(c1)OC)O	PC-id_135749624	330.401	WPQVCXCISXIWSB-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084921
CCOc1c(ccc(c1)/C=N/NC(=O)c1cc2c(s1)CCC2)O	PC-id_135749609	330.401	IQOAFBVGJHHGII-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084922
CCOc1cccc(c1O)/C=N/NC(=O)c1cc2c(s1)CCC2	PC-id_135749603	330.401	NYMPOMSYKOBLEY-VCHYOVAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084923
CCOC(=O)c1c(NC(=O)c2cccc(C)n2)sc2CCCc12	EMOLS-id_328185250,MCULE-3394802229	330.401	YFNRAJAAARNKNC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-084924
CCOC(=O)c1c(NC(=O)c2cccc(N)c2)sc2CCCc12	MCULE-6035513537,EMOLS-id_327747760	330.401	HZPJPPBEYJCXFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084925
CCOC(=O)c1c(NC(=O)c2ccc(N)cc2)sc2CCCc12	MCULE-4393683174,EMOLS-id_327878055	330.401	UWDPYZQQTIRCSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084926
CCOC(=O)c1c(NC(=O)/C=C/c2ccc[nH]2)sc2CCCc12	EMOLS-id_328206461	330.401	VTEXKHLDDLCOHP-CMDGGOBGSA-N	00000010110000000000000010000000000000000000000000000000	25-01-084927
COc1ccc(cc1OC)/C=CC(=O)Nc1sc2c(n1)CCC2	CoCoCo_4164027	330.401	YZSCOCJMHGOMDM-CLFYSBASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084928
COc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1OC	CoCoCo_4164026,PC-id_6299348,EMOLS-id_48917141,ZINC22_6470321	330.401	YZSCOCJMHGOMDM-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084929
COc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)c(OC)c1	EMOLS-id_334662100	330.401	NVSLYGWGIYXHNP-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084930
COc1ccc(NC(=O)C)cc1NC(=O)c1cc2c(s1)CCC2	ZINC22_14021709,EMOLS-id_11662504,MCULE-1201656938,PC-id_16266030,CoCoCo_3324359	330.401	YSHKAOUUYRHKEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084931
COc1ccc(OC)c(/C=C/C(=O)Nc2nc3CCCc3s2)c1	PC-id_84559775,EMOLS-id_181476314	330.401	OVPLUHGLTHAFAP-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084932
COc1c(OC)cc(C=CC(=O)Nc2sc3c(CCC3)n2)cc1	PC-id_5200931,EMOLS-id_43971838,MCULE-9424732552	330.401	YZSCOCJMHGOMDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084933
COCCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1	EMOLS-id_44303540,ZINC22_96146783,PC-id_97442310	330.401	RMUNWZCPHTVJNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084934
NC(=O)CCOc1ccccc1NC(=O)c1sc2c(c1)CCC2	PC-id_87025616	330.401	ZXTHXRVHAOPTCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084935
O=C(c1ccco1)N1CCN(C(=O)c2cc3c(s2)CCC3)CC1	PC-id_16393118,EMOLS-id_11872896,CoCoCo_3637655,MCULE-3753767838,ZINC22_10027479	330.401	HMLSMWWGSJIMNF-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-084936
O=C(c1c(sc2c1CCC2)NC(=O)c1c(C)noc1C)C1CC1	EMOLS-id_101170395	330.401	PXAIGLZSYLBZLR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-084937
O=C(c1c(sc2c1CCC2)NC(=O)c1occc1C)NC1CC1	MCULE-8339612000,EMOLS-id_44505940,PC-id_71934995	330.401	KOIPKGXAMWSWKR-UHFFFAOYSA-N	00100010101000000000000010000000000000000000000000000000	25-01-084938
O=C(N1CCc2c1cc(s2)C(=O)NCc1ccc(o1)C)C1CC1	PC-id_97524535	330.401	ZNLSRUUBWRHEMF-UHFFFAOYSA-N	00100010101000000000000010000000000000000000000000000000	25-01-084939
O=C(Nc1sc2c(c1C(=O)N)CCC2)COCc1ccccc1	SCHEMBL8289835,PC-id_60001353	330.401	FNHVFJRKLKZLOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084940
s1c2CCCc2cc1C(=O)N(C(c1cc([N+](=O)[O-])ccc1)C)C	PC-id_51222431	330.401	SVEKALZJGNFINO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084941
s1c2CCCc2cc1C(=O)N([C@H](c1cc([N+](=O)[O-])ccc1)C)C	PC-id_8198502	330.401	SVEKALZJGNFINO-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-084942
s1c2CCCc2cc1C(=O)N([C@@H](c1cc([N+](=O)[O-])ccc1)C)C	PC-id_8198504	330.401	SVEKALZJGNFINO-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084943
s1c2CCCc2cc1C(=O)NNC(=C1C=C(OC)C=CC1=O)C	PC-id_9462714	330.401	WANDNGKEVYWUTF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084944
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)cc(OC)c1	PC-id_85015415	330.401	FCFHZVGBEAVPSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084945
s1c2CCCc2cc1C(=O)NNC=C1C=C(OCC)C(=O)C=C1	PC-id_9462594	330.401	KTUZTUUAKBTZBV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084946
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OC)cc1	PC-id_85015469	330.401	MUICWMINHUMSQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084947
s1c2CCCc2cc1C(=O)NNC=C1C(=O)C(=CC=C1)OCC	PC-id_9462530	330.401	SJZOKPRRKKUSCG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084948
s1c2CCCc2cc1C(=O)NN=Cc1c(OC)cc(OC)cc1	PC-id_85015488	330.401	QGJOZRQRONXGQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084949
s1c2CCCc2cc1C(=O)NNC(=C1C(=O)C=C(OC)C=C1)C	PC-id_9462516	330.401	BMYBVVWRJNAMDU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-084950
s1c2CCCc2cc1C(=O)NN=Cc1c(OC)c(OC)ccc1	PC-id_85015467	330.401	FKKQYZZQNPWXGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084951
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(cc1)COC	PC-id_28009015	330.401	WGZMKEQTCKVKDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084952
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(COC)ccc1	PC-id_26281073	330.401	YZRXKKRMEZVITK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084953
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OCC)cc1	PC-id_27684456	330.401	BCVNROLDCMKIMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084954
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OC)ccc(c1)C	PC-id_33820548	330.401	KNYGWNMZKRXRDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084955
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OCC)cccc1	PC-id_8123251	330.401	RQKOGJZJIABDFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084956
s1c2CCCc2cc1C(=O)NNC(=O)Cc1ccc(OC)cc1	PC-id_27684439	330.401	MBYFUYXRTHLKOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084957
s1c2CCCc2cc1C(=O)NNC(=O)Cc1cc(OC)ccc1	PC-id_27684521	330.401	RDGJFHYLBOONMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084958
s1c2CCCc2cc1C(=O)NNC(=O)Cc1c(OC)cccc1	PC-id_27684228	330.401	HOZZGIHMVNTNCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084959
s1c2CCCc2cc1C(=O)NNC(=O)CCc1c(O)cccc1	PC-id_27684572	330.401	VBOWVKSAYSVCBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084960
s1c2CCCc2cc1C(=O)NNC(=O)COc1cc(ccc1)C	PC-id_27684469	330.401	ROBXIMDZIXGICZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084961
s1c2CCCc2cc1C(=O)NNC(=O)COc1c(cccc1)C	PC-id_27684492	330.401	OLMCQEXTXFEGCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084962
s1c2CCCc2cc1C(=O)NNC(=O)C(Oc1ccccc1)C	PC-id_51166595	330.401	DZOMDNODBYDMTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084963
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC)c1ccccc1)C(=O)N	PC-id_52434246	330.401	KICNKCWULCTLFO-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084964
s1c2c(CCC2)c(c1NC(=O)[C@H](OC)c1ccccc1)C(=O)N	PC-id_52434247	330.401	KICNKCWULCTLFO-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084965
s1c2c(CCC2)c(c1NC(=O)CNc1ccccc1)C(=O)OC	PC-id_51178243	330.401	OBKMFPGKOUQWJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084966
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccccc1)C)C(=O)N	PC-id_16381884	330.401	OMZUJTHKWVRSNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084967
s1c2c(CCC2)c(c1NC(=O)C(OC)c1ccccc1)C(=O)N	PC-id_75846911	330.401	KICNKCWULCTLFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084968
s1c2CCCc2c(c1NC(=O)COC(=O)CC1CCC=C1)C#N	PC-id_84920439	330.401	ARGOXHGOYVHOMY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-084969
s1c2CCCc2c(c1NC(=O)COC(=O)C[C@@H]1CCC=C1)C#N	PC-id_9065654	330.401	ARGOXHGOYVHOMY-NSHDSACASA-N	00000011100000000000000010000000000000000000000000000000	25-01-084970
s1c2CCCc2c(c1NC(=O)COC(=O)C[C@H]1CCC=C1)C#N	PC-id_9065655	330.401	ARGOXHGOYVHOMY-LLVKDONJSA-N	00000011100000000000000010000000000000000000000000000000	25-01-084971
s1c2c(CCC2)c(c1N)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_4778148	330.401	QMQJAVKTQBJUJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-084972
s1c2CCCc2nc1NC(=O)c1cc(OC)c(OCC=C)cc1	PC-id_33040659	330.401	WMSBNGLECGXEOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084973
S1Cc2c(onc2C1)NC(=O)C1(CCOCC1)c1ccccc1	PC-id_49720046	330.401	BPLFZLNHQDPLCZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-084974
c1(CN2CCN(CC2)c2ncnc(C)c2F)c2CCCc2nn1C	ZINC22_1776009010,PC-id_145868871,MCULE-1759830007,EMOLS-id_320310695	330.403	QVUYTXRXZMXPGE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-084975
CCNC(=NCc1ccc(c(c1)C)F)NCc1nnc2n1CCC2	PC-id_111020565	330.403	CEVYQSIJJMWVGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084976
CCNC(=NCc1ccc(c(c1)F)C)NCc1nnc2n1CCC2	PC-id_111020549	330.403	KKIHAQUPKNDCPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084977
CCNC(=NCc1nnc2n1CCC2)N(Cc1cccc(c1)F)C	PC-id_111285391	330.403	UGERGKGNFGRCET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084978
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)F)C	PC-id_111306916	330.403	MDRULEWIHMYIMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084979
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1)F	PC-id_111020273	330.403	GEWUYEICTFFKKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084980
CCNC(=NCc1nnc2n1CCC2)NCCc1ccccc1F	PC-id_111020461	330.403	HAMPMXVGQBTLAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084981
CCNC(=NCc1nnc2n1CCC2)NCCc1cccc(c1)F	PC-id_111020517	330.403	KPCMTKATHNECKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084982
CN=C(NC(c1ccc(c(c1)F)C)C)NCc1nnc2n1CCC2	PC-id_109658359	330.403	HKJKKYSXQBQEPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084983
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1C)F	PC-id_109585047	330.403	INPJKQVLEZQFES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084984
s1c2CCCc2nc1NS(=O)(=O)c1cc(sc1)C(=O)O	PC-id_61072959	330.403	LIIMGXLCBFQBDY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084985
s1c2CCCc2nc1NS(=O)(=O)c1c(scc1)C(=O)O	PC-id_60709113	330.403	QUPJSJJCNQARDO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084986
s1c2CCCc2nc1NS(=O)(=O)c1scc(c1)C(=O)O	PC-id_60682909	330.403	KJYCRFPVCKXBRY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084987
s1c2CCCc2nc1NS(=O)(=O)c1sc(cc1)C(=O)O	PC-id_61509100	330.403	MSXUYXODUPZCMN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-084988
CCOP(=O)(C1Sc2c(S1)sc(=O)s2)OCC	PC-id_102302627	330.404	HXKPQUHAMJRARD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084989
c12nc(sc1CN(CCCC)C2=O)NC(=O)Nc1ccccc1	EMOLS-id_33030444,PC-id_53188490,MCULE-4771399802	330.405	DFGHRHRHTFSGPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084990
c12SCCn1cc(CNC(=O)c1cccc(c1)NC(=O)CC)n2	ZINC22_55327330,MCULE-8188098802,PC-id_46994915,EMOLS-id_31619635	330.405	SRYOVZXAJBCQRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084991
c1(C(=O)N2CCC(CC2)C(=O)c2sccn2)c2CCCc2[nH]n1	EMOLS-id_406472,MCULE-2647755421,ADM-11342531,ZINC22_12116048,PC-id_16670479	330.405	AZSNGEXOHXJQDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-084992
c1(NC(=O)Cc2ccc(cc2)NC(=O)C)n(C)nc2CSCc12	MCULE-9655577837,EMOLS-id_334563762	330.405	OGUPFCGYGPEJCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084993
c1(NC(=O)C)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_24913491,MCULE-7037259355,PC-id_30862678,CoCoCo_5277738,ZINC22_23139427	330.405	GKSHVCMZMMVXFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084994
Cc1cccc(NC(=O)NCC(=O)Nc2nc3c(s2)CCC3)c1	EMOLS-id_32058994,MCULE-5805480279,PC-id_51088795,ZINC22_56218513	330.405	PYKHVBFURNWOTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084995
Cc1ccc(SCC(=O)N2Cc3n[nH]cc3[C@H]2C(=O)N)c(C)c1	ZINC22_1776006110	330.405	MYHZVBGZTRYLCX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084996
Cc1ccc(SCC(=O)N2Cc3n[nH]cc3[C@@H]2C(=O)N)c(C)c1	ZINC22_1776006111	330.405	MYHZVBGZTRYLCX-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-084997
Cc1nn(C)c(C)c1OCC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-6237289821,ZINC22_95412671,EMOLS-id_48258343,PC-id_75379698	330.405	LYSCFKQQWLOIIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-084998
Cc1scc(n1)COCc1n[nH]c2c1CN(C2)Cc1ccco1	PC-id_97406036	330.405	BLOPAJRRVBOESB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-084999
CC(C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)n1ncnc1	PC-id_121533338,EMOLS-id_73041618,MCULE-6608096919	330.405	VRTYQVWRMJUAPV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085000
C[C@H](C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)n1cncn1	ZINC22_242047985	330.405	VRTYQVWRMJUAPV-SECBINFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085001
C[C@@H](C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)n1cncn1	ZINC22_242047986	330.405	VRTYQVWRMJUAPV-VIFPVBQESA-N	00100010100000000001000010000000000000000000000000000000	25-01-085002
Cn1ncc(c1)N1CC(CC1=O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319633566	330.405	NYXKBHOCUHGITR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085003
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)OC(C)C	MCULE-8975437791	330.405	KCPAITLHXQMLRY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085004
NC(=O)C1N(Cc2c1c[nH]n2)C(=O)CSc1ccc(cc1C)C	MCULE-9135805558,PC-id_139018038,EMOLS-id_320349577	330.405	MYHZVBGZTRYLCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085005
NC(=O)CCSc1ccccc1NC(=O)c1cnn2c1CCC2	PC-id_121860303,EMOLS-id_72432646,MCULE-4797064193	330.405	VWRRPTHOWGFHSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085006
O=C(c1cc2c(s1)CNC2)N1CCC(Oc2cnccn2)CC1	ZINC22_2325801504	330.405	LMCXSVOSBNPVCX-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-085007
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)C(=O)c1cscc1	EMOLS-id_110482141	330.405	JQONKODBHPIMSK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085008
O=C(N1CC(C1)c1cc[nH]n1)CNC(=O)c1sc2c(c1)CCC2	MCULE-7243060171,EMOLS-id_320243371	330.405	JILNEKZWLJFKDG-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085009
O=C(Nc1nc2c(s1)CCC2)c1cccnc1N1CCOCC1	ZINC22_95947134,EMOLS-id_48770453,MCULE-8776706918,PC-id_75413702	330.405	QOGCQNCFHQJRIZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-085010
O=C(Nc1nc2c(s1)CCC2)c1c[nH]c(C(=O)N2CCCC2)c1	EMOLS-id_32025101,PC-id_47052927,MCULE-8105600955,ZINC22_51013183	330.405	DIFPTACDHSDLSG-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-085011
O=S(=O)(c1cnc2n1CCC2)N1CCC=C(C1)c1ccncc1	EMOLS-id_98571370	330.405	LAXJWIIUFOZUDV-UHFFFAOYSA-N	00000010100011101001100010000000000000000000000000000000	25-01-085012
s1c2CCCc2nc1NC(=O)c1ccc(N2CCOCC2)nc1	PC-id_33040979	330.405	DMMWUQPSTBADQP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-085013
CC1CCCCN1S(=O)(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99817447	330.469	QXBDADSUZQNCQS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085198
c12SCCn1cc(CNc1cncc(C(=O)N3CCCC3)n1)n2	PC-id_134708239,MCULE-7334952400,ZINC22_1529172801,EMOLS-id_316151029	330.408	OXXVEYQMCCJARV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085014
Cc1c(cnn1CCC#N)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_278166563	330.408	ILQFHNLTFFWJKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085015
Cn1ccnc1CN1Cc2c(C1)c(n[nH]2)COCc1nccs1	PC-id_97520312	330.408	FJYSJAYRNXZOOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085016
Fc1cccc(c1)C1CNCCN1C(=O)c1sc2c(c1)CCC2	PC-id_120737406,MCULE-6455750535,EMOLS-id_302471528	330.42	NQKVUBNNRYMJBE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085017
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)NCCc1sc2c(n1)CCC2	MCULE-8857287120,EMOLS-id_320309554	330.42	KKJKSRFCMMHAKI-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-085018
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1ccc(F)cc1	PC-id_9207213	330.42	ODZWOONJBPQJII-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085019
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_29203854	330.42	JOIAHPOBJKIBPW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085020
CC1(C)OCc2c1n[nH]c2C(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC22_2325865891	330.421	TZJVVHVODSSFPX-JSGCOSHPSA-N	00001010100011000001001010000000000000000000000000000000	25-01-085021
Cc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328218481,MCULE-7039151056	330.423	PCXFUIVBLRLQJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085022
Cc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328220026,MCULE-2041592745	330.423	FMVUPTFRRXTHKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085023
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328216689,MCULE-3375283298	330.423	JTASPVPTGKTNSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085024
CCOC(=O)C1CCc2c1nc(s2)NC1CCS(=O)(=O)C1	PC-id_104287558	330.423	CBXUAHXWGOUGKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085025
CN(C(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1	MCULE-4765619598,EMOLS-id_328336540	330.423	YWALCAZUHLYBDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085026
COC(=O)C1CCCC1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_103342811	330.423	TZOOAHKIQVPRCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085027
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccccc1	MCULE-4461507273,EMOLS-id_328210559	330.423	IUFFFYZVCIVZLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085028
O=C(c1sc2c(c1)CS(=O)(=O)C2)NCCN1CCOCC1	PC-id_122176115	330.423	XBARHLHNLYRPQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085029
O=C(c1sc2c(n1)CCC2)NS(=O)(=O)CC1CCCOC1	MCULE-2123635039,EMOLS-id_316537953	330.423	BLUUWSUUWAAPHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085030
O=C(NS(=O)(=O)C[C@@H]1CCCOC1)c1nc2c(s1)CCC2	ZINC22_842357312	330.423	BLUUWSUUWAAPHU-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085031
O=C(NS(=O)(=O)C[C@H]1CCCOC1)c1nc2c(s1)CCC2	ZINC22_842357314	330.423	BLUUWSUUWAAPHU-VIFPVBQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-085032
S(=O)(=O)(N1CCCCC1)Nc1sc2c(CCC2)c1C(=O)O	PC-id_43328054	330.423	MVHWPPFXUROKAK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085033
c1(CN(C)Cc2c3CCCc3[nH]n2)cc(oc1C(C)(C)C)C(=O)N	PC-id_91835779,MCULE-1861689453,EMOLS-id_55653164,ZINC22_252481547	330.425	CNWKZKBQDPTDCT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085034
c1(NC(=O)CCC(=O)c2cccs2)sc2c(CCC2)c1C#N	EMOLS-id_182638437,PC-id_108807737,MCULE-7975897967	330.425	FPLBJMUQMSFYEH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085035
CCC(N1Sc2c(C1)sc(c2)C#Cc1ccccn1)C(=O)O	PC-id_143828646	330.425	QEJOEAHQJKKQIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085036
CC(n1nc(c2c1CN(C2)Cc1cocc1)CN1CCOCC1)C	PC-id_97405378	330.425	QEBJHAJKSMNREW-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-085037
CCN(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC	PC-id_92109596	330.425	DVUYPYVYGMCNQT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085038
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)C2	ZINC22_1565545316,EMOLS-id_313735379	330.425	CXQSZCKKPHXLGV-HALDLXJZSA-N	00100010100010000001010010000000000000000000000000000000	25-01-085039
Cn1nc(C(=O)NC2CC2)c2CN(Cc12)C(=O)C1(C)CCCCC1	EMOLS-id_207862902,MCULE-6545612034	330.425	PYMSBMOSVWZETL-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085040
COc1ccccc1C(OC(C)C)CNC1CC(n2c1ncn2)C	EMOLS-id_319228295	330.425	RYPAXFSUGYJLEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085041
COc1cc(CNC(c2nnc3n2CCC3)C)ccc1OC(C)C	EMOLS-id_36637269,PC-id_53532923,MCULE-6553324692	330.425	MYRZNYLQWBPCQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085042
N#Cc1c(NC(=O)C[N@H+](Cc2ccc(o2)C)C)sc2c1CCC2	PC-id_9103648,GD-id_ZINC07976148	330.425	GGLLEUVTSRSQFE-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-085043
N#Cc1c(sc2c1CCC2)NC(=O)[C@H]([N@@H+](Cc1ccco1)C)C	GD-id_ZINC30277164	330.425	IDBOYOUSACSDBN-LLVKDONJSA-O	00000010101000000000000010000000000000000000000000000000	25-01-085044
N#Cc1c(sc2c1CCC2)NC(=O)[C@@H]([N@@H+](Cc1ccco1)C)C	GD-id_ZINC30277167	330.425	IDBOYOUSACSDBN-NSHDSACASA-O	00000010101000000000000010000000000000000000000000000000	25-01-085045
O=C1C(CCCN1C1CCCCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_111898485	330.425	USZQRRAMLUDJNT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085046
O=C1CCC(N1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109679	330.425	WDCPVWPUGDYKFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085047
O(c1c(OC)cc(CN[C@H](c2n3CCCc3nn2)C)cc1)C(C)C	PC-id_52640824	330.425	MYRZNYLQWBPCQC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085048
O(c1c(OC)cc(CN[C@@H](c2n3CCCc3nn2)C)cc1)C(C)C	PC-id_52640826	330.425	MYRZNYLQWBPCQC-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085049
O=C1NCCN(C1CC1CCCCC1)C(=O)c1cnn2c1CCC2	MCULE-7239474963,EMOLS-id_102171290	330.425	ZICMAVITADJFRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085050
O=C1NCCN(C1CC1CCCCC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102172802	330.425	ZGTNQVAAISCRBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085051
O=C1NCCN(C(=O)c2cnn3c2CCC3)[C@H]1CC1CCCCC1	ZINC22_333806912	330.425	ZICMAVITADJFRO-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085052
O=C1NCCN(C(=O)c2cnn3c2CCC3)[C@@H]1CC1CCCCC1	ZINC22_333806914	330.425	ZICMAVITADJFRO-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085053
O=C(C1CCC(CC1)NC(=O)C1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_100193697	330.425	LORYUPANXOJXSN-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085054
O=C(C1CCC(CC1)NC(=O)C1CC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320193730,MCULE-2407467182	330.425	LQWDHWYMZCVTLM-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085055
O=C(C1CC(=O)N(C1)C1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318812610	330.425	JONKJQNINQFMBG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085056
O=C(C1CN(C1)C(=O)C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101549648	330.425	QYVMLEJHPNLMSH-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-085057
O=C(C1CN(C1)C(=O)C1CCCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_101483627	330.425	UMVDZIMWEZBQJP-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-085058
O=C(C1CN(C1)C(=O)C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_318866582	330.425	FYYCLMASNGCQAJ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-085059
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](C(=O)N2CCCCC2)C1	PC-id_97211194,ZINC22_95392975	330.425	LRLLKVCLYOTZQV-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085060
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](C(=O)N2CCCCC2)C1	PC-id_97211195,ZINC22_95392976	330.425	LRLLKVCLYOTZQV-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085061
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)NCc1cnc2n1CCC2	EMOLS-id_319383609	330.425	BUCVRQCAPUYEOW-CABCVRRESA-N	00000010100010000001100010000000000000000000000000000000	25-01-085062
O=C(N1Cc2c(C1)c(nn2C)C(=O)NC1CC1)CC1CCCCC1	EMOLS-id_207862899,MCULE-1064542761	330.425	SLPMYGZNBTVXCA-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085063
O=C(N1CCCCC1)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-5868707826,EMOLS-id_48226551,PC-id_75368920	330.425	LRLLKVCLYOTZQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085064
O=C(N1CCNC(=O)C1CC1CCCCC1)c1cc2n(n1)CCC2	EMOLS-id_102165613	330.425	ZDUIOTJUHOWKIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085065
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)NC(C)(C)C	PC-id_92109562	330.425	ZQBCKFBIPPWODD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085066
O=C(CN1CCCS1(=O)=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99821026	330.426	PXNXAJTXLGMFLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085067
c12C(C)(C)OC(C)(C)c1cnn2Cc1nnc([C@H]2C[C@@H](C2)N)n1C	EMOLS-id_55616789,MCULE-4352599820,ZINC22_244882622	330.428	XVGSRCDFUVCLPS-XYPYZODXSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085068
c12C(C)(C)OC(C)(C)c1ncn2Cc1nnc([C@H]2C[C@@H](C2)N)n1C	EMOLS-id_55638686,ZINC22_253378378,MCULE-7688776926	330.428	CKBKDPAMOJGBPA-XYPYZODXSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085069
c1(c(C)nc(n2cccc2)s1)C(=O)/N=c
/sc2c(CCC2)[nH]1	ZINC22_61718949,EMOLS-id_46559283,MCULE-8618789222,STOCK7S-13209,PC-id_52899214,EMOLS-id_35785328	330.428	OJSUDLCGIALWQD-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-085070
c1(c(C)sc(n2cccc2)n1)C(=O)Nc1sc2c(CCC2)n1	MCULE-3072691663,EMOLS-id_323287401	330.428	GOPKWGUVHNZSFW-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-085071
c1(C(=O)/N=c/sc3c(CCC3)[nH]2)cc(nn1C)c1cccs1	EMOLS-id_44213126,EMOLS-id_46565831,MCULE-5904648962,STOCK7S-34911,PC-id_60177885,ZINC22_79492777	330.428	DGZCZOMXWQLAIN-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085072
c1(NC(=O)Cc2csc(n3cccc3)n2)sc2c(CCC2)n1	EMOLS-id_320529470,MCULE-6467305479	330.428	ZOFNYABOZWMZQG-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-085073
CC1(c2c(C(O1)(C)C)n(cn2)Cc1nnc(n1C)C1CC(C1)N)C	PC-id_91772689	330.428	CKBKDPAMOJGBPA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085074
CC1(c2c(C(O1)(C)C)n(nc2)Cc1nnc(n1C)C1CC(C1)N)C	PC-id_91765011	330.428	XVGSRCDFUVCLPS-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085075
Cc1nc(c2c[nH]c(C(=O)Nc3nc4c(s3)CCC4)c2)cs1	ZINC22_25768878,SCHEMBL16404118,EMOLS-id_27368268,CoCoCo_4194326,PC-id_33040574,MCULE-5072158704	330.428	ZBLBKKQDQBQWFQ-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-085076
CCN1CCO[C@H]([C@@H]1c1ccnn1C)CNC1CCn2c1ncc2	EMOLS-id_316082529,MCULE-8076603118	330.428	ASOQYHFLYXEGTE-FMYDAXTQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085077
CCN1CCO[C@@H](CN[C@H]2CCn3ccnc23)[C@@H]1c1ccnn1C	ZINC22_952852565	330.428	ASOQYHFLYXEGTE-BPUTZDHNSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085078
CCN1CCO[C@@H](CN[C@@H]2CCn3ccnc23)[C@@H]1c1ccnn1C	ZINC22_952852566	330.428	ASOQYHFLYXEGTE-KBMXLJTQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085079
Cn1c(C[C@H]2CCCC[C@H]2N)nn(Cc2cc3n(n2)CCC3)c1=O	ZINC22_685943195,MCULE-7955215081,EMOLS-id_316144595	330.428	SWQQADZGOIKTCZ-IUODEOHRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085080
Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NCc1cnn2c1CCC2	MCULE-4061257251,EMOLS-id_316128456,ZINC22_888098152	330.428	AQGVLLNQVMZSCD-TZMCWYRMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085081
Cn1nc(C[C@H]2CCCC[C@H]2N[C@H]2CCn3ccnc23)n(C)c1=O	ZINC22_825650664	330.428	JTBBKMKBCVBVCM-MCIONIFRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085082
Cn1nc(C[C@H]2CCCC[C@H]2N[C@@H]2CCn3ccnc23)n(C)c1=O	ZINC22_825650665	330.428	JTBBKMKBCVBVCM-MGPQQGTHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085083
Cn1nc(n(c1=O)C)C[C@H]1CCCC[C@H]1NC1CCn2c1ncc2	EMOLS-id_257950206	330.428	JTBBKMKBCVBVCM-ZFXTZCCVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085084
N#Cc1ccsc1N1CCC(C1=O)Sc1[nH]c2c(n1)CCC2	EMOLS-id_318543947	330.428	QWNLCUWOUAKQBH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085085
O=C(c1csc(n1)c1cccs1)NCc1cnc2n1CCC2	EMOLS-id_319370227	330.428	JOCWAZQZZYLDRZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085086
O=C(c1csc(n1)c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_318960804	330.428	VZUBTQJKFHBXIV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085087
O=C(N1CCn2c1ncc2)Nc1cc(nn1C(C)(C)C)C(C)(C)C	EMOLS-id_319874600	330.428	IDMPQALRXDNHIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085088
s1c2c(CCC2)c(c1NC=C(c1scc(n1)C)C#N)C(=O)N	PC-id_84841459	330.428	JCQDLWVIEFLFAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085089
s1c2c(CCC2)c(c1N/C=C(/c1scc(n1)C)C#N)C(=O)N	PC-id_8811636	330.428	JCQDLWVIEFLFAM-RMKNXTFCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085090
CCNC(=NCc1c(C)nn(c1C)C)NCc1nnc2n1CCC2	PC-id_119146297	330.431	XOZCXBOGUKTWML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085091
CN=C(NCc1nnc2n1CCC2)NCCCn1nc(cc1C)C	PC-id_111020345	330.431	WECRHGDIGQJUSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085092
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)SC	MCULE-1342800207,EMOLS-id_330976440	330.444	DATXYPOESVKXJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085093
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(SC)c1	MCULE-3428690354,EMOLS-id_330974139	330.444	TZMRULDBHKBZIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085094
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)n1	MCULE-2784700649,EMOLS-id_334662103	330.444	JSLVFQXUPSYXMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085095
c1(NC(=O)CCCOc2c(C)cccc2C)sc2c(CCC2)n1	MCULE-2332490215,EMOLS-id_334663382	330.444	GEUYYEZEECIUFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085096
c1(sc2c(CCC2)n1)NC(=O)C(C)Oc1ccc(cc1)C(C)C	EMOLS-id_334663126,MCULE-8601334926	330.444	GFIYQBGAKMHKFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085097
c1(sc2c(CCC2)n1)NC(=O)C(C)Oc1ccccc1C(C)C	MCULE-5365957906,EMOLS-id_334661590	330.444	OKYMTXCQQFXDEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085098
Cc1ccc(C(C)C)cc1OCC(=O)Nc1nc2c(s1)CCC2	EMOLS-id_24123168,PC-id_25572245,CoCoCo_4164178,ZINC22_12879049,MCULE-7834196437	330.444	ZRCBRBMVICUVPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085099
Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)CCC3)c1	PC-id_26723129,MCULE-9532701074,EMOLS-id_23971743,ZINC22_15636492,CoCoCo_4164095	330.444	ZRPXVVNLBCHZGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085100
Cc1ccc(C(=O)N(Cc2cc3c(s2)CCC3)C(C)C)c(=O)[nH]1	MCULE-9124036619,EMOLS-id_42957340,ZINC22_75122887,PC-id_72047797	330.444	PZNGSVBNSCQSBF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085101
Cc1cc(OCC(=O)Nc2nc3c(s2)CCC3)ccc1C(C)C	EMOLS-id_24072446,CoCoCo_4164176,PC-id_26723200,ZINC22_15636656,MCULE-3058565294	330.444	AUDHTHRYOAPTDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085102
CCC(c1ccccc1)(C(=O)Nc1sc2c(n1)C(CC2)(C)C)O	PC-id_146147751	330.444	RPDQEPAACICIKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085103
CCC(c1ccccc1OCC(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_24132248,MCULE-9972771043,PC-id_42889230	330.444	OKFQGAIDEPFEHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085104
CC[C@H](C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCC2	CoCoCo_4521479,PC-id_25676264,ZINC22_13022907	330.444	OKFQGAIDEPFEHM-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085105
CC[C@@H](C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCC2	PC-id_25676263,CoCoCo_4521480,ZINC22_13022905	330.444	OKFQGAIDEPFEHM-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085106
CC[C@](O)(C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1	ZINC22_1875327249	330.444	RPDQEPAACICIKL-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085107
CC[C@@](O)(C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1	ZINC22_1875327250	330.444	RPDQEPAACICIKL-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085108
COc1cccc(c1)CNC(=O)c1sc2c(c1)CN(C2)C(C)C	PC-id_53171041	330.444	WXZFRRNKEUQROQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085109
COc1c(C)cnc(CN(C)C(=O)c2cc3c(s2)CCC3)c1C	PC-id_53384796,MCULE-9161393892,EMOLS-id_35746025,ZINC22_58958579	330.444	VVYUJEOPGUVVFY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085110
COC(=O)CCCCc1scc2c1N(CN2)Cc1ccccc1	PC-id_140329878	330.444	NVNMYLDGKXMJJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085111
O=C(C1=CC(=O)c2c1ccs2)N1CCCCC1CN1CCCC1	PC-id_19735835,SCHEMBL9484745	330.444	DMHNFLXCFCZOOM-UHFFFAOYSA-N	00000011100010000000000010000000000000000000000000000000	25-01-085112
O=C(c1sc2c(c1)CCC2)NCC(c1ccco1)N1CCCC1	PC-id_16392110,EMOLS-id_11870660,MCULE-7913475780	330.444	LZOVOLPAVZUKQW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085113
O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2c(s1)CCC2	CoCoCo_3706564,PC-id_41292810,ZINC22_9954121	330.444	LZOVOLPAVZUKQW-CQSZACIVSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085114
O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2c(s1)CCC2	CoCoCo_3706565,ZINC22_9954124,PC-id_41292812	330.444	LZOVOLPAVZUKQW-AWEZNQCLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085115
s1c2CCCc2nc1NC(=O)[C@@H](Oc1cc(C(C)C)ccc1)C	PC-id_52652180	330.444	WCQOTZRGFBIWPF-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085116
s1c2CCCc2nc1NC(=O)[C@H](Oc1cc(C(C)C)ccc1)C	PC-id_52652181	330.444	WCQOTZRGFBIWPF-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085117
s1c2CCCc2nc1NC(=O)C(Oc1cc(C(C)C)ccc1)C	PC-id_75893280	330.444	WCQOTZRGFBIWPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085118
s1c2CN(Cc2cc1C(=O)Nc1c(OC)ccc(c1)C)C(C)C	PC-id_53171009	330.444	JOTVOGNOLHDCLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085119
s1c2CN(Cc2cc1C(=O)NCc1ccc(OC)cc1)C(C)C	PC-id_53171042	330.444	QJDLOANGFJCHGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085120
s1c2CN(Cc2cc1C(=O)NCc1c(OC)cccc1)C(C)C	PC-id_53170995	330.444	IBBXQKNBOJFAFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085121
OCc1sc(cc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977973	330.446	HZNFRFRMOXKQQD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085122
OCc1sc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_105977996	330.446	GDKHMEYZHMSXDR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085123
OCc1scc(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_105978033	330.446	YGVLQTAVXNHAIN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085124
OCCc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978052	330.446	DWTFZXAHMXRUNF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085125
s1c2c(CCC2)cc1CNS(=O)(=O)c1sc(=O)[nH]c1C	PC-id_61209151	330.446	CPESVCXNDRMNBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085126
c12SCCn1cc(CNC(=O)C(N(C)C)c1cccc(C)c1)n2	MCULE-2932725841,EMOLS-id_46599960,PC-id_72838490	330.448	CETUMLVBGADVST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085127
c12SCCn1cc(CNC(=O)Nc1ccc(cc1)CCCC)n2	MCULE-7219925596,PC-id_118771185,EMOLS-id_68892131,ZINC22_299764334	330.448	RQXCLXXGVYLGEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085128
c1(C(=O)N2CCCN(Cc3cccs3)CC2)c2CCCc2[nH]n1	EMOLS-id_43182951,MCULE-1538797735,PC-id_70787487,ZINC22_72411839	330.448	MINKGVPXQVDVNL-UHFFFAOYSA-N	00000010100100000101000010000000000000000000000000000000	25-01-085129
c1(NC(=O)c2ccc(C3CCCN3C)s2)n(C)nc2CCCc12	EMOLS-id_23835228,PC-id_45246680,MCULE-4663254306	330.448	YMETUARBPCUASG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085130
Cc1cccc([C@H](C(=O)NCc2cn3c(n2)SCC3)N(C)C)c1	PC-id_97186838,ZINC22_95352557	330.448	CETUMLVBGADVST-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085131
Cc1cccc([C@@H](C(=O)NCc2cn3c(n2)SCC3)N(C)C)c1	ZINC22_95352556,PC-id_97186837	330.448	CETUMLVBGADVST-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085132
Cc1ccc(CN2Cc3c(C(=O)N4CCCC4)nn(C)c3C2)s1	EMOLS-id_44325383,ZINC22_96187543,PC-id_97462001,CHEMBL3552014	330.448	VMSVIZKFMVYXMK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085133
Cc1ncc(c(n1)C(C)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	MCULE-8353926378,EMOLS-id_102180291	330.448	VUPKQXGMPYHPOE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085134
Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1	PC-id_95736925,ZINC22_72235270	330.448	RXUDXTCQEPRXMM-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085135
Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1	PC-id_95736926,ZINC22_72235271	330.448	RXUDXTCQEPRXMM-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085136
Cc1nc(n(n1)C1CCCN(C1)C(=O)c1sc2c(c1)CCC2)C	MCULE-2954654961,PC-id_72142852	330.448	RXUDXTCQEPRXMM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085137
CC(C)[C@H](Sc1ccccc1)C(=O)NCc1nnc2n1CCC2	PC-id_95280861,ZINC22_69416341	330.448	BOVXZWKPDAVPQN-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085138
CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1nnc2n1CCC2	PC-id_95280862,ZINC22_69416343	330.448	BOVXZWKPDAVPQN-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085139
CC(C)(C)n1nc(C(=O)Nc2nc3c(s2)CCC3)cc1C1CC1	MCULE-7973613162,EMOLS-id_48215254,PC-id_75415237,ZINC22_42768511	330.448	ITEOCCZIOPIIOD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-085140
CCC(C(=O)N(Cc1nnc2n1CCC2)C)Sc1ccccc1	PC-id_56786811,EMOLS-id_36969853,MCULE-9486688225	330.448	FGXDWLAFYRLECD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085141
CC(C(C(=O)NCc1nnc2n1CCC2)Sc1ccccc1)C	PC-id_53560389,MCULE-2027038301,EMOLS-id_36319998	330.448	BOVXZWKPDAVPQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085142
CCC(C(=O)NCCc1nnc2n1CCC2)Sc1ccccc1	EMOLS-id_36969897,PC-id_56786833,MCULE-2139975499	330.448	HFUADWRYHRDDGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085143
CC[C@H](Sc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2	PC-id_95620985,ZINC22_71895983	330.448	FGXDWLAFYRLECD-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085144
CC[C@@H](Sc1ccccc1)C(=O)NCCc1nnc2n1CCC2	PC-id_95621026,ZINC22_71896034	330.448	HFUADWRYHRDDGQ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085145
CC[C@@H](Sc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_71895984,PC-id_95620986	330.448	FGXDWLAFYRLECD-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085146
CC[C@H](Sc1ccccc1)C(=O)NCCc1nnc2n1CCC2	ZINC22_71896033,PC-id_95621025	330.448	HFUADWRYHRDDGQ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085147
CCCSc1ccccc1NC(=O)NCc1n[nH]c2c1CCC2	MCULE-4494457521,ZINC22_95519804,EMOLS-id_48640046,PC-id_72902985	330.448	CMEXWLSBHVNOBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085148
C[C@H](CSc1ccccc1)C(=O)NCCc1nnc2n1CCC2	PC-id_96511399,ZINC22_78883155	330.448	FHFRHCANJWJOCN-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085149
C[C@@H](CSc1ccccc1)C(=O)NCCc1nnc2n1CCC2	ZINC22_78883151,PC-id_96511398	330.448	FHFRHCANJWJOCN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085150
CCn1cnnc1C1CCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC22_69347510,PC-id_53554498,MCULE-4697989652,EMOLS-id_36348600	330.448	QSTJAVMQQUFFRR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085151
CN1CCC(CC1)n1ncc(c1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319326972	330.448	SSSYZZTYMODFLU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085152
CN1CCC[C@@H]1c1ccc(C(=O)Nc2c3c(nn2C)CCC3)s1	CoCoCo_1608804,CoCoCo_1608806,ZINC22_20638638	330.448	YMETUARBPCUASG-CYBMUJFWSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085153
CN1CCC[C@H]1c1ccc(C(=O)Nc2c3c(nn2C)CCC3)s1	ZINC22_20638642,CoCoCo_1608805,CoCoCo_1608807	330.448	YMETUARBPCUASG-ZDUSSCGKSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085154
Cn1nc(c2c1CN(C2)C(=O)c1cccs1)CN1CCCCC1	PC-id_97413572	330.448	AIABRSSQSOFPGU-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085155
C(Oc1cnccn1)C1CCCN(Cc2nc3CCCc3s2)C1	MCULE-9179590443,EMOLS-id_337725636	330.448	CWVIFLPTEJGIKT-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-085156
O=C1CC[C@@H]([C@H](N1C)c1ccnn1C)NC1CCc2c1scc2	MCULE-2871575266,EMOLS-id_318806040	330.448	AZSKQWYJPHXLNT-BSBHGOPBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085157
OC1CCN(CC1)c1ncccc1NCc1sc2c(n1)CCC2	PC-id_109963440	330.448	LSRXQRRZYSRRHA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-085158
O=C(c1ccnn1C1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181740	330.448	XWXVDXDBYVREPW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085159
O=C(c1cnn(c1)C1CCCC1)NCCc1sc2c(n1)CCC2	EMOLS-id_319242276	330.448	XQIVODHZCPAGAZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085160
O=C(c1csc(n1)C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101677934	330.448	RXSYNIVWCZXSGC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085161
O=C(c1csc(n1)C1CCCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_101735209	330.448	DNPMTFFFAZRGGW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085162
O=C(c1csc(n1)C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319978160,MCULE-4687343151	330.448	QAZRGIUJDKMONB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085163
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)Cc1ccnn1C	EMOLS-id_319111428	330.448	MBJUXUOQZDDIIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085164
O=C(Cc1csc(n1)C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319170922	330.448	YNXKTPNNXJPVJB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085165
O=C(Cc1sc(nc1C)C1CCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319993135,MCULE-6812747443	330.448	PQIHYRCUKRIEDX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085166
O=C(C(CSc1ccccc1)C)NCCc1nnc2n1CCC2	EMOLS-id_49009046,PC-id_72019047,MCULE-1523801369	330.448	FHFRHCANJWJOCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085167
O=C(N1Cc2c(C1)cnn2C)Cc1scc(n1)C1CCCCC1	EMOLS-id_318917579	330.448	WPXWXDYWQRTYSF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085168
O=C(N1CCC(CC1)c1cscc1)NC1CC(n2c1ncc2)C	EMOLS-id_101420451	330.448	BFIYHLKFALPMCK-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-085169
OC(S1C(=Nc2n1cnc2)C)C1CCN(CC1)c1ccccc1	SCHEMBL20744126	330.448	DYMKZMAUTZBUFW-UHFFFAOYSA-N	00000011100010110001100010000000000000000000000000000000	25-01-085170
O=S1(=Nc2ccc(cc2)NCc2cnc3n2CCC3)CCCC1	MCULE-1988446202,EMOLS-id_318151607	330.448	PEUYBJJBZQJEHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085171
c1(N2CCCC2)nc(CC)cc(NCc2cn3c(SCC3)n2)n1	EMOLS-id_316197037,ZINC22_1529106700,MCULE-4429946364,PC-id_134698299	330.451	QVUWSJIXBLOOPM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-085172
CN=C(NCc1nnc2n1CCC2)NCCSc1ccccc1	PC-id_111020475	330.451	YOKFRKOEYUIGQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085173
CCCC(=C1C(c2c(n(c(c2C1C=C)O)CCN)O)C=C)CCC	PC-id_91398958	330.464	DKFNBUGIVLIHRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085174
CCOC(=O)C1CCc2c1nc(s2)NCCC(S(=O)C)C	PC-id_116230288	330.466	PXUVPRCXKBTMCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085175
CCOC(=O)C1CCc2c1nc(s2)NC(CCS(=O)C)C	PC-id_116251924	330.466	XVIRODMFRSRQRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085176
CNS(=O)(=O)CC(=O)N(Cc1cc2c(s1)CCC2)C(C)C	EMOLS-id_49098136,MCULE-1628850652,PC-id_84586074,ZINC22_95409333	330.466	CREPHOYKHKFGHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085177
c1(c2CCCc2[nH]n1)C(=O)N1CCCN(CC2CC2)C(C(C)C)C1	EMOLS-id_43112645,PC-id_56869092,MCULE-2933519198	330.468	VPSDPNBLPOPHFU-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-085178
CC1CCN(CC1)C1CCC(CC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_101209128	330.468	LUFYKULUIKHOEM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085179
CC1CCN(CC1)C1CCC(CC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101209104	330.468	BBLIBSPVMXITQF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085180
CC(c1cc2n(n1)CCC2)NC1CCCN(C1=O)C1CCCCC1	EMOLS-id_101845414	330.468	LADNIGFQLOJFBR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085181
CC(=CC1C(C1(C)C)C(=O)NC(c1nnc2n1CCC2)C(C)C)C	EMOLS-id_50317591,PC-id_102554469,MCULE-5923206681	330.468	UQDUXSBEWDBFMR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085182
CC(=C[C@@H]1[C@H](C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)C1(C)C)C	PC-id_100623244,ZINC22_225415907	330.468	UQDUXSBEWDBFMR-FVQBIDKESA-N	00100010100000000001000010000000000000000000000000000000	25-01-085183
CC(=C[C@@H]1[C@@H](C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)C1(C)C)C	ZINC22_225415953,PC-id_100623268	330.468	UQDUXSBEWDBFMR-VNQPRFMTSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085184
CC(=C[C@@H]1[C@@H](C(=O)N[C@H](c2nnc3n2CCC3)C(C)C)C1(C)C)C	ZINC22_230190082,PC-id_100904303	330.468	UQDUXSBEWDBFMR-KBMXLJTQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085185
CC(=C[C@@H]1[C@H](C(=O)N[C@H](c2nnc3n2CCC3)C(C)C)C1(C)C)C	ZINC22_230190088,PC-id_100904304	330.468	UQDUXSBEWDBFMR-BMFZPTHFSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085186
CC(C)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCCN1CC1CC1	PC-id_95549366,ZINC22_71746096	330.468	VPSDPNBLPOPHFU-KRWDZBQOSA-N	00100010100000000101000010000000000000000000000000000000	25-01-085187
CC(C)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCCN1CC1CC1	PC-id_95549367,ZINC22_71746097	330.468	VPSDPNBLPOPHFU-QGZVFWFLSA-N	00100010100000000101000010000000000000000000000000000000	25-01-085188
O=C(c1cc2n(n1)CCC2)NCC1(CCCCC1)N1CCCCC1	EMOLS-id_101199228	330.468	DCZATHZPNGWMLI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085189
O=C(c1cnn2c1CCC2)NCC1(CCCCC1)N1CCCCC1	EMOLS-id_101199225	330.468	LKBDDKZUMOIIMB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085190
O=C(c1n(C)nc2c1CCC2)NCC1CCCCC1N1CCCC1	EMOLS-id_319692811	330.468	YFZSIELZFRNSRA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085191
O=C(c1n[nH]c2c1CCC2)N1CCCN(CC2CCCCC2)CC1	ZINC22_96402341,PC-id_72026577,EMOLS-id_48990071,MCULE-3661708338	330.468	FACIGLQBZWODNY-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-085192
O=C(c1n[nH]c2c1CCC2)NCC1(CCCCC1)N1CCCCC1	EMOLS-id_98361736	330.468	UNMRICLHLRJPRT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085193
O=C(N1CCCC1CC1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101414161	330.468	IUBYUTRNZHKNEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085194
O=C(N1CCCC1CCC1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101418762	330.468	OZXPMLFRKDLWSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085195
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)NC1CCCC1	PC-id_92110000	330.468	IERNBTDHOSFDBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085196
O=C(/N=c/1[nH]c2c(s1)CCC2)C[NH2+][C@@H](c1ccccc1)C(C)C	GD-id_ZINC52007162	330.468	OEYGDXDWLKAELS-QGZVFWFLSA-O	00000010100000110001000010000000000000000000000000000000	25-01-085197
CC1CCN(CC1)S(=O)(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99844553	330.469	QKIXLAGRGVZKTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085199
CN(C1(CSCC1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100238080	330.469	PJMMVPZRHTVAPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085200
CNCC1CCCCN1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053383	330.469	JAWAFPRWWJBWFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085201
CNCC1CCCN(C1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053363	330.469	QRSPDPJLDDTRTD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085202
CNCC1CCN(CC1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053382	330.469	MPLNTPPFBPMUCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085203
CN(S(=O)(=O)Nc1sc2c(n1)CCC2)CCCNC1CC1	PC-id_106053324	330.469	QNCHOVBDCHTBFQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085204
CSC1CN(CC1N(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100207081	330.469	KDUBBFIVUJYZNK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085205
O=S(=O)(N1CCCCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99815311	330.469	RQFKEGOCBCAGIT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-085206
CC(CC(c1ccccc1)CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908804	330.488	ZOFNPYJIKGDRAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085207
CCCCC1CCC(CC1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327999566,MCULE-9619741158	330.488	GYVKBNQTZFVIEF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085208
OCC(C(c1ccccc1)CNCc1sc2c(n1)CCC2)(C)C	PC-id_109948749	330.488	FRMVLJOEYUARAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085209
c1(CN(C)Cc2cc(cs2)CN2CCCC2)c2CCCc2[nH]n1	PC-id_74234561,MCULE-1010592992,ZINC22_97425332,EMOLS-id_49648056	330.491	KAQSRMLPHSVFCT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085210
CC1CCN(CC1)C(c1cccs1)CNC1CCn2c1ncc2	EMOLS-id_318171876	330.491	LWFVVYTXUFRKCP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085211
CN1CCCC(C1c1cnn(c1)C)CNC1CCc2c1scc2	MCULE-4397680260,EMOLS-id_318552750	330.491	GKTPXIZYMYRLJP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085212
c1csc(c1)C=c1sc(=Cc2cccs2)c2c1csc2	PC-id_140227003	330.511	AKCZYTWGXIPPRT-UHFFFAOYSA-N	00000000100100000000000010000000000000000000000000000000	25-01-085213
S1(=O)(=O)Cc2c(nn(CCCO[Si](C(C)(C)C)(C)C)c2)C1	PC-id_10592563	330.518	LEWRAIZKPNZGMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085214
S1(=O)(=O)Cc2n(ncc2C1)CCCO[Si](C(C)(C)C)(C)C	PC-id_10853932	330.518	DXXWVPDPOSBDCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085215
c1(C(=O)Nc2c(Cl)cc(c(Cl)c2)Cl)c2CCCc2[nH]n1	MCULE-4498815718,EMOLS-id_335110198	330.597	LMHLRXKTOJJJFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085216
Brc1cnc(c(c1)Cl)Nc1sc2c(n1)CCC2	PC-id_103583244	330.631	VRZKPOFRSOHVOJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085217
Clc1cnc(c(c1)Br)Nc1sc2c(n1)CCC2	PC-id_114836868	330.631	PFUAOHRTHVQHBA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085218
c1(C(=O)Nc2c(Cl)ccc(c2)C(F)(F)F)c2CCCc2on1	ChEMBL-DNDi_CHEMBLC226-3266,MCULE-7912612147,EMOLS-id_15971932,PC-id_3353805	330.69	QTJMTFVNVRCUQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085219
CC1CCc2c1c(O)nn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-9971499344,EMOLS-id_330957299	330.733	JMNIPEZCWZMLBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085220
CC1CCc2c1c(O)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	MCULE-9538626270,EMOLS-id_330959859	330.733	WSKXSOMDPKBVRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085221
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(O)c12	EMOLS-id_331007648,MCULE-1427123752	330.733	BBAPXHKHNYWGHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085222
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(O)c12	EMOLS-id_331006113,MCULE-7309669312	330.733	GOHINDBJDJBHSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085223
Clc1cc(CNCc2nnc3n2CCC3)cc(c1)C(F)(F)F	MCULE-4257631560,EMOLS-id_318651735	330.736	LQHNJPDAKDTETD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085224
Clc1sc2c(c1)C(CC2)Nc1c(ccc(c1F)F)[N+](=O)[O-]	PC-id_108381001	330.738	QMPQUCUWJLGSCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085225
Clc1sc2CCC(Nc3cc([N+](=O)[O-])c(F)cc3F)c2c1	PC-id_81235189	330.738	ZFVVGQOQDVNMIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085226
Clc1sc2CCC(Nc3c([N+](=O)[O-])cc(F)cc3F)c2c1	PC-id_81305274	330.738	BIZMVBQZHWBIFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085227
Fc1cc(F)c(c(c1)Cl)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_104289227	330.738	UGLAAKHVUUSMQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085228
Clc1ccc(/C=C/C(=O)Nc2nc3SCCn3c2C#N)cc1	PC-id_60324182	330.792	JORFYYCEPZYOBK-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085229
Clc1ccc(C=CC(=O)Nc2nc3SCCn3c2C#N)cc1	PC-id_72693341	330.792	JORFYYCEPZYOBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085230
Clc1n(cnc1S(=O)(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_60745545	330.794	BGTMHSNNOFBXPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085231
Clc1n(cnc1S(=O)(=O)NC(c1n2CCCc2nn1)C)C	PC-id_61053248	330.794	BQVCUVWHZMQMLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085232
ClC(c1sc2c(CCC2)c1)Cc1ccc(cc1)C(F)(F)F	PC-id_63542685	330.796	CBLFQHIVPXYWOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085233
Clc1ccc(nc1)C1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_319251234	330.809	MZFRJCYAEDEZLL-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-085234
c1(cn2c(CCC2)n1)C(=O)N1CCN(c2cccc(Cl)c2)CC1	EMOLS-id_321297622,MCULE-9476632664	330.812	DHOVNWFSGAASEP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085235
C/C(=CC(=O)NCCc1nnc2n1CCC2)/c1ccccc1Cl	PC-id_97518226,ZINC22_96257467	330.812	JNBIOYSCBCILKV-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085236
Clc1ccc(cc1)C1(CC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318494618	330.812	OIANXVLFRHCZIZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-085237
Clc1cccc(c1)C1(CC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318551943	330.812	SEXICVIPNWYOMC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-085238
Clc1ccc(cc1)C1CCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417064	330.812	MVHFEWBNHLJLPV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085239
Clc1cccc(c1)C1CN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572854	330.812	ZHIUKQHPHHDHKF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085240
Clc1cccc(c1)C1CNCCN1C(=O)c1cnc2n1CCC2	EMOLS-id_318294100	330.812	PSCLHOQCEQFQNS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085241
Clc1cccc(c1)C1CNCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_318204930	330.812	QMXSUCORVZIQNN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085242
Clc1cccc(c1)C1CNCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-7428121303,PC-id_120802842,EMOLS-id_302462201	330.812	SLJLLMLSNZSLAH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085243
Clc1ccccc1C1CNCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_120739584,MCULE-4616040049,EMOLS-id_302753668	330.812	SSAZNIIJTNXYOC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085244
Clc1cccc(c1)C1NCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-8997232591,EMOLS-id_177207020	330.812	NYNCUAQPPLTRTF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085245
Clc1ccc(cc1)N1CCC(C1=O)NC1CC(n2c1ncc2)C	MCULE-8824789685,EMOLS-id_318289928	330.812	KKCDRWMNGYDGRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085246
Clc1cccc(c1)N1CCC(C1=O)NCc1cnc2n1CCC2	EMOLS-id_318604232,MCULE-5217386018	330.812	BXNBOCYFSDQWTF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085247
Clc1ccc(cc1)N1CCC(C1=O)NCc1cnc2n1CCC2	MCULE-5859073147,EMOLS-id_318306833	330.812	FHQSQDXBLWNZCH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085248
Clc1cc(ccc1N1CCCC1=O)NCc1cnc2n1CCC2	MCULE-8706476818,EMOLS-id_318693675	330.812	VDYGDHYZBTXWPY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085249
Clc1ccccc1N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_110313047,MCULE-7857362038	330.812	BKYZLQNWNGAGFT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085250
Clc1ccc(cc1)N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_110493621,MCULE-8904262581,ZINC22_122470188	330.812	HXIHCGJGPGWREO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085251
Clc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	MCULE-2383573257,EMOLS-id_110313156,PC-id_110388857	330.812	USEJVTSPDBIFDH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085252
Clc1c(C(=CC(=O)NCCc2n3CCCc3nn2)C)cccc1	PC-id_53579929,EMOLS-id_36322686,MCULE-8866331433	330.812	JNBIOYSCBCILKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085253
Clc1ccc(nc1)C1CCN(CC1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319595096	330.812	YNECNNHKGMWVCQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-085254
Clc1ccc(nc1)C1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_319604587	330.812	DSNTWKOPCJRIGX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-085255
Clc1ccc(nc1)C1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_319781575	330.812	MYFVPXCHBKYEAT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-085256
Clc1ccc(nc1)C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319326381	330.812	VFGMBGNVPMHNDW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-085257
Clc1ccnc(c1)N1CCN(CC1)C(=O)c1[nH]c2c(c1)CCC2	MCULE-3512977698,EMOLS-id_320128127	330.812	KQNOUMGQCFEWOT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-085258
O=C1C(CCCN1c1ccccc1Cl)NC1CCn2c1ncc2	MCULE-1129079957,EMOLS-id_318252146	330.812	VVPHKFCOIOIDQX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085259
O=C1C(CCN1c1ccccc1Cl)NC1CC(n2c1ncc2)C	EMOLS-id_318193294,MCULE-3868621547	330.812	ITQAYSHOCFUULM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085260
O=C1C(CCN1c1ccccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_318223522,MCULE-8151712655	330.812	QQVFKLJDCJCCLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085261
O=C(C1CC1c1cccc(c1)Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318682293	330.812	HLOSNXAKFCISGC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-085262
O=C(C1(CCC1)c1ccccc1Cl)NCc1nnc2n1CCC2	EMOLS-id_318559324	330.812	VCTARPAQFUFSPW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085263
O=C(C1NCc2c1c[nH]n2)NCC1(CCC1)c1ccc(cc1)Cl	EMOLS-id_320144072,MCULE-9567521964	330.812	SVNXQDTXYNWMSP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085264
O=C(NCc1nnc2n1CCC2)C1(c2cccc(Cl)c2)CCC1	MCULE-1359650011,CoCoCo_4687745,ZINC22_40493620,PC-id_45807206,EMOLS-id_31881327	330.812	XOPUNOYKRNDCRY-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085265
Clc1cc(S(=O)(=O)Nc2sc3CCCc3n2)cnc1N	PC-id_64601104	330.814	HFXVMRNNOUAIQS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085266
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322625860,MCULE-4208205882	330.832	YJISPTBKOUIATE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085267
Clc1cccc(CCC(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_328028341,MCULE-5017505273	330.832	CHHNTIWKHGAHGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085268
Clc1c(N)cc(/N=c/2snc3SC(Cn23)(C)C)c(F)c1	PC-id_14406427	330.832	OKOUVNRTQLDMBI-YBEGLDIGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085269
Fc1cc(Cl)c(cc1N=c1snc2n1CC(S2)(C)C)N	SCHEMBL10544674	330.832	OKOUVNRTQLDMBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085270
CC1CCc2c1c(CCl)nn2Cc1ccc(OCC2CC2)cc1	MCULE-6997339432,EMOLS-id_331024395	330.852	UGJKNXZNTSOYMU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-085271
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(CCl)c12	MCULE-1938027917,EMOLS-id_331008437	330.852	XQVAZSAKYGYPHP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-085272
c1(CN2CCN(CC2)c2ccccc2Cl)c2CCCc2nn1C	MCULE-8028418261,EMOLS-id_324597297,ZINC22_891453974,PC-id_154829067	330.855	TYBBTGVTXBTTBH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085273
Clc1ccccc1N1CCC(C1)CNC1CC(n2c1ncc2)C	EMOLS-id_318232198,MCULE-9987746023	330.855	JHETUNFOLUALAA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085274
Clc1ccc(cc1)N1CCC(C1)CNC1CC(n2c1ncc2)C	EMOLS-id_318289157,MCULE-5769626933	330.855	JOOZQBOOLHMDCB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085275
Clc1ccc(c(c1)N1CCC(C1)CNC1CCn2c1ncc2)C	MCULE-8138136862,EMOLS-id_318365493	330.855	RVVCZPOWPHZWSV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085276
Clc1ccc(cc1)N1CCC(C1)NC(c1nn2c(c1)CCC2)C	MCULE-4205837372,EMOLS-id_318134673	330.855	GHRZFIYBVSSZDQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085277
Clc1cccc(c1)N1CCC(C1)NC(c1nn2c(c1)CCC2)C	MCULE-5945494609,EMOLS-id_318267781	330.855	UHXQVVACMXDUHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085278
Clc1ccccc1N1CCCC(C1)NC1CC(n2c1ncc2)C	MCULE-6091092009,EMOLS-id_318362933	330.855	ZIFLKKRYFZUXBU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085279
Clc1ccccc1N1CCCC(C1)NCc1cnc2n1CCC2	MCULE-7764922601,EMOLS-id_318393090	330.855	NEOSBQRAMDISCM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085280
Clc1nc2SCCn2c1CSCCN/C(=N/C)/NC#N	PC-id_50878396	330.86	FNWGSZMBOUFFJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085281
CC(NC1CCc2c1cc(s2)Cl)CNC(=O)OC(C)(C)C	PC-id_107248257	330.873	HGRORUQMKAWBMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085282
CC(NC(=O)OC(C)(C)C)CNC1CCc2c1cc(s2)Cl	PC-id_107247603	330.873	QJEWXAQHKWFJDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085283
CN(C(=O)OC(C)(C)C)CCNC1CCc2c1cc(s2)Cl	PC-id_107245040	330.873	ISWYVZDOHSKWEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085284
O=C(OC(C)(C)C)NCCCNC1CCc2c1cc(s2)Cl	PC-id_107241193	330.873	BYZUFKKZJZMKCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085285
C1CN2C(=NC(=N2)Br)C1OC3=CC(=CC(=C3)Cl)F	PC-id_149293687	330.952	XVJBLQVZVBOJBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085286
CC(C(=O)OC)N1C(=O)C2=C(C1(C)C)SC(=C2)Br	PC-id_164810246	330.988	HTIGBTROSUCIJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085287
CCOC(=O)CN1C(=O)C2=C(C1(C)C)SC(=C2)Br	PC-id_154728677	330.988	ODHFDHGXZVYGKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085288
C1C2=C(CN1S(=O)(=O)CC3=C(C=CC=C3Cl)Cl)NN=C2	PC-id_154744006,MCULE-5185011868,EMOLS-id_317783455	330.995	MQIAESGAURAQCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085289
FC(C(=O)N1c2n(ncc2I)CC1)(F)F	ZINC22_585139441,MCULE-2751233810,EMOLS-id_177294586	331.034	UFRPNIFWAQCUEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085290
CSCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)C3=CC=CC=C3	PC-id_154799166	331.07	SGSIXNSTVPYECR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085291
CC1=C(C(=NN1CC(F)F)C)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164931945	331.091	UQVXXSNOKVTOEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085292
C1CC2=C(C=NN2C1)C(=O)N3CC(CS3(=O)=O)C4=CC=CC=C4	PC-id_154760165,EMOLS-id_317320925,MCULE-7331504715	331.099	WCLPBAVAIFSJCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085293
C1CC2=C(C=NN2C1)C(=O)NC3=CC=CC(=C3)CSCC(=O)O	PC-id_154768983,EMOLS-id_317346061,MCULE-4928562389	331.099	SHUCXXXYSPKPDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085294
CCCCCN(B(N1c2ccnn2C(C1CC)(C)C)C)B(NC)C	PC-id_144358345	331.115	PHQVUHCJXDOGQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085295
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)OC4=CC=CC=C4	PC-id_161633625	331.121	WXNGMDMUOWXQPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085296
CCC(C1=NN2CCN(C2=C1C(=O)O)C(=O)OC(C)(C)C)(F)F	PC-id_161266888	331.134	CIPQJTLSVHCKAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085297
CCNC(=O)N1CC2=C(C1)NN=C2C(C3=CC=CC=C3F)C(=O)N	PC-id_153863773	331.144	FAEGUPUQTJQZCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085298
CCNC(=O)N1CC2=C(C1)NN=C2C(C3=CC(=CC=C3)F)C(=O)N	PC-id_153863774	331.144	IRAMRVAAZTXMTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085299
CCNC(=O)N1CC2=C(C1)NN=C2C(C3=CC=C(C=C3)F)C(=O)N	PC-id_153863776	331.144	STZXPBHDTSRPAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085300
COC(=O)C1C2=C(CN1CC(=O)NC3(CCCCC3)C#N)NN=C2	MCULE-4291677591,PC-id_154881344	331.164	LFUSEYHKYQMSPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085301
C/C=CC=C(/C=C)[C@@H]1C[C@@H](c2nc(nn12)C(=O)[C@]1(CCOC1)C)F	PC-id_163937417	331.17	RNZZKJURRQKGNS-MWDPWIJLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085302
C[N+]1=CC=C2N1CCN2CC3=CC(=CO3)C(=NOC4CCNC4)N	PC-id_154011281	331.188	ARVJKBJFXHPDFX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085303
N#Cc1ccc(c(c1)CNC1CC(n2c1ncc2)C)Br	MCULE-2906888493,EMOLS-id_318484322	331.21	GDAQXGJVOPMXQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085304
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)OC)CC(F)(F)F	MCULE-8698170590,EMOLS-id_324343403	331.214	CGQNFXQZHRJKCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085305
Clc1ccc(c(c1)CS(=O)(=O)c1[nH]c2c(n1)CCC2)Cl	EMOLS-id_318559722	331.218	DLBGTUZUKGDVMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085306
CC(=C)/C(=C(\n1nc2c(c1C)CN(C2)C(=O)c1ccccc1[B])/C)/C	PC-id_145597052	331.219	ZIXCAMYEMJWSPH-YPKPFQOOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085307
BrC(C(=O)Nc1sc2c(CCC2)c1C(=O)N)CC	PC-id_55125684,EMOLS-id_314217031	331.229	BXFBPGWBCXDWOK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085308
NC(=O)c1c(sc2c1CCC2)NC(=O)C(Br)(C)C	PC-id_114327564	331.229	NYGIHGFPVCVLJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085309
Brc1ccc(/C=N/c2sc3CCCc3c2C#N)cc1	ZINC22_60011,BAS-00323746,PC-id_9591152,CoCoCo_40137,EMOLS-id_25781619,TIMTEC476393,MCULE-2218270835	331.23	UHAADGMEWSJRHY-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085310
Brc1cc(C=Nc2sc3CCCc3c2C#N)ccc1	PC-id_4054997	331.23	KWXKARYDQILAHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085311
Brc1cc(/C=N/c2sc3CCCc3c2C#N)ccc1	PC-id_9644361	331.23	KWXKARYDQILAHB-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085312
c1(C#N)c2CCCc2sc1N=Cc1ccc(cc1)Br	PC-id_690068,MCULE-1954670557	331.23	UHAADGMEWSJRHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085313
N#Cc1c(/N=Cc2ccc(cc2)Br)sc2c1CCC2	CoCoCo_40138	331.23	UHAADGMEWSJRHY-NVMNQCDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085314
O1c2c(n(c(c2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C)CC1=O	SCHEMBL7677935,PC-id_9797615	331.237	RQRNWIVVMQXRMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085315
CC1CCc2c1c(Br)nn2Cc1cccc(c1)C1CC1	EMOLS-id_330970098,MCULE-5636402614	331.25	UGZVZUKKKKQTBP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-085316
CC1CCc2c1c(Br)nn2Cc1ccccc1C1CC1	EMOLS-id_330970865,MCULE-2798450508	331.25	PUNBIEDLNHBDCM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-085317
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(Br)c12	EMOLS-id_331017646,MCULE-7478213238	331.25	IRDMCDLLSOLFQE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-085318
CC1CCc2nn(Cc3ccccc3C3CC3)c(Br)c12	MCULE-9277191446,EMOLS-id_331014318	331.25	JVSSKZZVBUZJRQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-085319
Clc1sc(c(c1)C(NC(c1nnc2n1CCC2)C)C)Cl	PC-id_105556263	331.264	DHEZIPCUBPDOIQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085320
CCOC(=O)c1c(c2c([se]1)C(N(C2(C)C)O)(C)C)N	PC-id_134857109	331.269	RHKOVGAMAFNLLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085321
O=C(C(C(F)(F)F)C(F)(F)F)Nc1sc2c(c1C)CCC2	PC-id_143035166	331.277	ATGALQLNZJSWJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085322
O=C(Nc1n(nc2c1CCC2)C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	PC-id_45536318	331.284	CAWJGNLLFUPWJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085323
Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318280003	331.313	UTPLLNOQGQCATP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085324
Cc1cc(ccc1C(F)(F)F)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319932373,MCULE-5297596761	331.313	ZPKGQXHUPCYJRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085325
Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320112514,MCULE-9502913006	331.313	CWMOKDFQGXJKQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085326
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccc(cc1)C(F)(F)F	EMOLS-id_316430135,MCULE-1237767210	331.313	CROVNKJKEAXOKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085327
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccccc1C(F)(F)F	EMOLS-id_316639795	331.313	KCYDHRVSDYNOKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085328
Fc1cc(F)c(c(c1)F)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320052567,MCULE-2698518797	331.313	OAZPCSFXNBGYKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085329
FC(Cc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2)(F)F	EMOLS-id_319661138	331.313	IYPFCRFHCJUSTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085330
O=S(=O)(Nc1ccccc1C(F)(F)F)c1cnc2n1CCC2	ZINC22_97164909,EMOLS-id_49325261,PC-id_75510621,MCULE-8890529258	331.313	XTGNTRVGLXCVBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085331
O=S(=O)(NCc1n[nH]c2c1CCC2)c1ccc(F)c(F)c1F	EMOLS-id_317023045,MCULE-9800958691,ZINC22_1875279136	331.313	QMPLVOVKUKPZBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085332
CCOC(=O)c1nc2c(n1C(F)F)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17373208,PC-id_118607899	331.315	KQPLQCFVLCRNQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085333
Cc1nsc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	EMOLS-id_317037072,MCULE-3527504786,ZINC22_1775994353	331.317	AVHCPFLLXNPYES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085334
O=C(C1NCc2c1c[nH]n2)N(Cc1scc(n1)C(F)(F)F)C	EMOLS-id_319071897	331.317	VYCAFENAQHOYGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085335
O=C(C1NCc2c1c[nH]n2)NCCc1scc(n1)C(F)(F)F	EMOLS-id_319301556	331.317	PAHLWVCTUNWSBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085336
O=C(N1CCn2c1ncc2)NC(C(F)(F)F)c1scc(n1)C	EMOLS-id_319125266	331.317	WALMVESYVSNIIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085337
O=C(NC1CC(n2c1ncn2)C)Cc1scc(n1)C(F)(F)F	EMOLS-id_319196505	331.317	KOKONPXIIPAWCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085338
COc1c(OC)cc(cc1OC)C(=O)c1cc2c(n1C)CC(=O)O2	PC-id_15485816,SCHEMBL7678357	331.32	SYLBRHJHQKFGPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085339
COC(=O)C1(CCn2c1ccc2C(=O)c1ccc(o1)C)C(=O)OC	PC-id_20454708,SCHEMBL11057886	331.32	CDQOCIJQXSESOL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085340
c1(NC(=O)c2ccc(c(c2)N(=O)=O)F)sc2c(CCC2)c1C#N	MCULE-4635718296,EMOLS-id_322614113	331.322	GDVIATBCMAQHIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085341
s1c2c(CCC2)c(c1NC(=O)c1c([N+](=O)[O-])cccc1)C(=O)[O-]	PC-id_2329525	331.323	KRAIYOWFCLCYOG-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-085342
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1cnco1	EMOLS-id_207863346,MCULE-5799748427	331.327	FXLAOEZGNGRSEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085343
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1cocn1	MCULE-6267716979,EMOLS-id_207863337	331.327	NOJNOWWBWPWEHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085344
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1OC)OC)C	PC-id_135876400,STOCK6S-48662,EMOLS-id_17102793,MCULE-1660729805	331.327	JAVHBVXUGWMGJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085345
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(OC)ccc(OC)c1)C	EMOLS-id_27445872,MCULE-2582848850,PC-id_135649911,STOCK6S-77041	331.327	XKVXUOUKOOXYJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085346
CC1(c2c(CN1)c(n[nH]2)NC(=O)c1c(cc(cc1)OC)[N+](=O)[O-])C	PC-id_91191355	331.327	PLSVPXOPGCWJOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085347
COc1ccc(cc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N)OC	SCHEMBL2918209,PC-id_68440550	331.327	KURAJMHCBMMORD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085348
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N)OC	SCHEMBL2923389,PC-id_68442377	331.327	DUBUOZIKGUUOOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085349
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2920890,PC-id_68441426	331.327	UDIBLVFKMSYEQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085350
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)c(OC)c1	PC-id_135899861,ZINC22_13692372	331.327	JAVHBVXUGWMGJT-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085351
COc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)c(OC)c1	ZINC22_13692373,PC-id_135899862	331.327	JAVHBVXUGWMGJT-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-085352
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)c1	PC-id_135878574,ZINC22_31813184	331.327	XKVXUOUKOOXYJF-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-085353
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)c1	ZINC22_31813179,PC-id_135878573	331.327	XKVXUOUKOOXYJF-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085354
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2920944,PC-id_68441445	331.327	DVDYHIPLAHBUOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085355
COC(=O)c1cncc(NCc2nn3c(c2C(=O)OC)CCC3)n1	ZINC22_1875355918	331.327	GVUPQZVKVVIYQK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085356
Nc1cccc(c1)Nc1nn(c2c1CN(C2(C)C)C(=O)O)C(=O)O	PC-id_121438532,SCHEMBL17872128	331.327	ATDPQUMMYPDRBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085357
c12CN(Cc1nn(CC1CCCC1)c2C(=O)OC)CC(F)(F)F	EMOLS-id_324342123,MCULE-5928684036	331.333	LPVVBOYAQUNQLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085358
C[C@@H]1CC[C@@H](O)CN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2	MCULE-6928484790,EMOLS-id_317043485,ZINC22_1434154694	331.333	XXAFIFQGBFKYKB-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085359
OC1CN(C(C1)(C)C)C(=O)Cn1nc(c2c1CCC2)C(F)(F)F	MCULE-7879624962,EMOLS-id_319972933	331.333	OBTHVUTVMXPLAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085360
O=C(CC1CCCC(O1)C(F)(F)F)NCc1cnc2n1CCC2	MCULE-2702294291,EMOLS-id_320231995	331.333	GOGWEKQNHFCGHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085361
CC1=Nn2c(nc(n2)C)C1=NNc1c(cnn1c1ccccc1)C#N	PC-id_88983257	331.335	UFJYWDNORDNMHL-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-085362
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1ccccc1)C#N)C	PC-id_88873642	331.335	GDTJTFNLTNCQQX-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-085363
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ccccc3)/c1nc(n2)C)C	PC-id_58113655	331.335	IFQMLJZBOYQOAC-ZHZULCJRSA-N	00000011100000110001100010000000000000000000000000000000	25-01-085364
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ccccc3)/c1nnc2C)C	PC-id_58090612	331.335	KYPYMBACSPXJJU-ZHZULCJRSA-N	00000011100000110001100010000000000000000000000000000000	25-01-085365
n12N=C(C(=NNc3n(ncc3[N+]#[C-])c3ccccc3)c1nnc2C)C	PC-id_76663837	331.335	KYPYMBACSPXJJU-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-085366
O=C(c1cn2c(n1)CCC2)NCC(C(F)(F)F)N1CCNCC1	EMOLS-id_316906152,MCULE-8689499751	331.337	VRYSYYJWEIUEGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085367
O=C(c1n[nH]c2c1CCC2)NCC(C(F)(F)F)N1CCNCC1	PC-id_120812487,EMOLS-id_302753747,MCULE-9422544404	331.337	BXKJRHQSSQUMHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085368
O=C(NC[C@@H](N1CCNCC1)C(F)(F)F)c1cn2c(n1)CCC2	ZINC22_570399709	331.337	VRYSYYJWEIUEGX-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085369
O=C(NC[C@H](N1CCNCC1)C(F)(F)F)c1cn2c(n1)CCC2	ZINC22_570399713	331.337	VRYSYYJWEIUEGX-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-085370
COCCc1cc2n(c1C(=O)c1ccc(F)cc1)CCC2C(=O)O	PC-id_13780978,CHEMBL167793	331.338	COTOLYVQSWDSNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085371
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C1COCCO1	EMOLS-id_36582760,PC-id_56745930,MCULE-7548882961	331.342	PFCRNPKGXZNMFW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-085372
Cc1nn(C)c(S(=O)(=O)Nc2cc3n(n2)CCC3)c1C(F)F	MCULE-6763685937,EMOLS-id_324018028,PC-id_146103325,ZINC22_1875281085	331.342	ONDADQDNIJCHAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085373
COC(=O)c1c(NC(=O)c2cc(C)c(c(c2)C)F)nc2n1CCC2	MCULE-3615200076,EMOLS-id_177330517	331.342	QCRUASAUUCDRDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085374
COC(=O)C1N(Cc2c1cn(n2)C)C(=O)CCc1ccccc1F	PC-id_139017863,MCULE-3319295305,EMOLS-id_320348038	331.342	OFQZTIVHDDMMHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085375
COC(=O)[C@@H]1c2cn(C)nc2CN1C(=O)CCc1ccccc1F	ZINC22_1776006288	331.342	OFQZTIVHDDMMHQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085376
COC(=O)[C@H]1c2cn(C)nc2CN1C(=O)CCc1ccccc1F	ZINC22_1776006292	331.342	OFQZTIVHDDMMHQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085377
O=C([C@H]1COCCO1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1	PC-id_95209380,ZINC22_67770418	331.342	PFCRNPKGXZNMFW-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-085378
O=C([C@@H]1COCCO1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1	ZINC22_67770415,PC-id_95209379	331.342	PFCRNPKGXZNMFW-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-085379
OC(=O)C1CCc2c1sc(c2C(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_13787409,SCHEMBL10743279	331.343	PPAAMBJOFCZRJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085380
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccc(cn2)F)n1	MCULE-7014918890	331.345	GLCXQEDFCGEOFE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085381
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccc(cn2)F)n1	EMOLS-id_316327742,MCULE-6844214604	331.345	GLCXQEDFCGEOFE-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-085382
Cc1cc(NC(=O)C(=O)N(C)Cc2nnc3n2CCC3)ccc1F	MCULE-4490395586,EMOLS-id_36671519,ZINC22_69669193,PC-id_53594425	331.345	LYAFUMDUZBQWRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085383
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)Cc1ccccc1F	PC-id_68440160,SCHEMBL2917044	331.345	ZIOASHNIKIFYDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085384
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)Cc1cccc(c1)F	PC-id_68441916,SCHEMBL2922285	331.345	NRGULTCSYPLUDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085385
CCNC(=O)N1Cc2c(C1)n(nc2)NC(=O)Cc1cccc(c1)F	PC-id_70016762,SCHEMBL7189422	331.345	QKSGCBVBABOMLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085386
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)Cc1ccc(cc1)F	SCHEMBL2915639,PC-id_68439684	331.345	UNTCJXYDXBMKIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085387
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccccc1F	PC-id_134799098	331.345	NBORXKZUPVPNCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085388
s1c2CCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1	PC-id_27684381	331.346	KOOJLRUDSLKCRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085409
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)F	PC-id_134800156	331.345	DKRNKWQWOZTVLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085389
CC(=O)NCc1nn(C)c2c1CN(C(=O)Cc1ccc(F)cn1)C2	EMOLS-id_313736919,ZINC22_585110525	331.345	JQITUXGZMQCAGX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085390
COC(=O)CCCS(=O)(=O)N1Cc2c(C1C(=O)OC)c[nH]n2	EMOLS-id_317002273,MCULE-1474082308	331.345	PYLJUTHMODTBED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085391
COC(=O)CCCS(=O)(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)OC	ZINC22_1775987234	331.345	PYLJUTHMODTBED-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085392
COC(=O)CCCS(=O)(=O)N1Cc2n[nH]cc2[C@H]1C(=O)OC	ZINC22_1775987235	331.345	PYLJUTHMODTBED-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-085393
Fc1cc(cc(c1)N1CCOCC1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319112562	331.345	FJURJPRDYPQUGF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085394
Fc1cc(cc(c1)N1CCOCC1)NC(=O)N1CCn2c1ncc2	EMOLS-id_319271898	331.345	LAZAWQBNSXJBBF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085395
C1Cc2c(C1)sc(c2)C(=O)N/N=Cc1c(ccc(c1)[N+](=O)[O-])O	PC-id_135749579	331.346	WCJIAHPAKJTNGJ-PXNMLYILSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085396
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1c(ccc(c1)[N+](=O)[O-])O	PC-id_135749580	331.346	WCJIAHPAKJTNGJ-LZYBPNLTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085397
C1Cc2c(C1)sc(c2)C(=O)N/N=Cc1cc(c(cc1)O)[N+](=O)[O-]	PC-id_135749576	331.346	JQJNYBXVTPPUTA-PXNMLYILSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085398
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1cc(c(cc1)O)[N+](=O)[O-]	PC-id_135749577	331.346	JQJNYBXVTPPUTA-LZYBPNLTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085399
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)N	EMOLS-id_1853262,PC-id_732277,TIMTEC218257,ZINC22_146441,CoCoCo_5794072,MCULE-2141098324	331.346	ILIQBVHEJYFLRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085400
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_959571,SPECS-id_AN-153/J107651,TIMTEC556122,MCULE-5748411591,EMOLS-id_4012310,ZINC22_568599,CoCoCo_6598723	331.346	XSEDZEYJQFEZHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085401
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	ZINC22_432110,CoCoCo_675130,MCULE-9808406023,PC-id_867575,EMOLS-id_2365891	331.346	POXMJNHKOQAQCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085402
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OC(=O)C	ZINC22_16733017,EMOLS-id_9063066,ChEMBL-DNDi_CHEMBL5629-0454	331.346	SSRARELSOQHWQU-QPEQYQDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085403
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)C	MCULE-6733237336	331.346	QKKJOXVBLNHALL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085404
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O	MCULE-8213969837	331.346	SSRARELSOQHWQU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085405
s1c2CCCc2cc1C(=O)NNC=C1C=C([N+](=O)[O-])C=CC1=O	PC-id_9462303	331.346	AKHNPUQDOMWLHT-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085406
s1c2CCCc2cc1C(=O)NNC=C1C=C([N+](=O)[O-])C(=O)C=C1	PC-id_9462260	331.346	PWUAUSZXAGQCSA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085407
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_26872716	331.346	DVBRZZUICSHIHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085408
s1c2CCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])cccc1	PC-id_27684378	331.346	YJSXDFZNHBYCFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085410
s1c2CCCc2c(c1NC(=O)COC(=O)c1onc(c1)C)C#N	PC-id_8330775	331.346	ZHZUAOJLSGNTEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085411
c12sc(NC(=O)Cn3c(C)cc(N(=O)=O)n3)c(C#N)c1CCC2	CoCoCo_1983230,ZINC22_1428834,TIMTEC187182,PC-id_1508882,EMOLS-id_6813322,MCULE-5847686135	331.35	HCUNSFQAJUFVPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085412
C1C(CN1C(=O)c1nccnc1)C(=O)Nc1c2CSCc2no1	PC-id_90510926	331.35	WIJBSGHHNUACQP-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-085413
c1(C#N)c2CCCc2sc1NC(=O)c1n(ncc1N(=O)=O)CC	MCULE-5786532004,EMOLS-id_4012320,ZINC22_2782084,TIMTEC498604,PC-id_19575417	331.35	VFVGZCDKYXREIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085414
c1(C#N)c2CCCc2sc1NC(=O)c1nn(CC)cc1N(=O)=O	ZINC22_2782575,PC-id_19575488,MCULE-2828693428,EMOLS-id_4012318,TIMTEC411227	331.35	QSLKVGKXHILEKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085415
c1(C(=O)Nc2sc3c(CCC3)c2C#N)n(C)nc(C)c1N(=O)=O	PC-id_17020680,ZINC22_2779305,TIMTEC89807,CoCoCo_6579625,MCULE-2653181421,EMOLS-id_4012328	331.35	BXUCVHFANKGZAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085416
c1(C(=O)Nc2sc3c(CCC3)c2C#N)nn(c(C)c1N(=O)=O)C	TIMTEC292772,MCULE-6923954467,EMOLS-id_4012334,PC-id_17020673,CoCoCo_6579605,ZINC22_2779267	331.35	LQFQIYHOZWQVSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085417
c1(NC(=O)C(C)n2ncc(N(=O)=O)c2)sc2c(CCC2)c1C#N	PC-id_2978232,MCULE-6930646347,BAS-24804356,EMOLS-id_2011050,TIMTEC109982,ChEMBL-DNDi_CHEMBL7971669	331.35	CUJSRPCXMWBNJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085418
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc([N+](=O)[O-])cn1	CoCoCo_434319,ZINC22_1067206,PC-id_1256110	331.35	CUJSRPCXMWBNJR-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085419
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc([N+](=O)[O-])cn1	ZINC22_1067205,PC-id_1256109,CoCoCo_434318	331.35	CUJSRPCXMWBNJR-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085420
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68438898,SCHEMBL2913779	331.35	TUXNBIRTEOTMEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085421
N#Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2919101,PC-id_68440826	331.35	ZPONKHQBEGATSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085422
N#Cc1c(NC(=O)CCn2cnc([N+](=O)[O-])c2)sc2c1CCC2	CoCoCo_4679853,PC-id_25504958,ZINC22_12779423,EMOLS-id_18835790,MCULE-4674351348	331.35	AGWXGJLRYALTBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085423
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)N)C#Cc1ccccc1	SCHEMBL2915497,PC-id_68439633	331.35	ZYXQTGINYJWINR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085424
s1c2c(CCC2)c(c1NC(=O)Cn1c(nnc1)C#N)C(=O)OC	PC-id_51263964	331.35	BSJNDYHJJIFAJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085425
Cc1cc(F)cc(c1)C1(F)CCN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_316871786,MCULE-7246494229	331.36	MWEJTKSMVMCOCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085426
Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cnn4c3CCC4)C2)c1	ZINC22_450544165	331.36	MWEJTKSMVMCOCG-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085427
Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cnn4c3CCC4)C2)c1	ZINC22_450544166	331.36	MWEJTKSMVMCOCG-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085428
Fc1ccc(c(c1)F)C1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318895016	331.36	HTRDCALLJIFOEF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085429
O=C(C1(CCC1)c1c(F)cccc1F)NCc1cnc2n1CCC2	EMOLS-id_318877051	331.36	MRWDMUVBZMLLEA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085430
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)O	MCULE-1837916154	331.361	SMBSNEWXVLCRIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085431
Nc1c(F)ccc(c1F)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_107343415	331.361	UWPPFURNXKWASG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085432
OC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2CCCc12	EMOLS-id_179129553,PC-id_28860316	331.361	SMBSNEWXVLCRIU-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085433
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)cc(F)c1F	PC-id_65020782	331.361	GYXRUDNWGFLUDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085434
s1c2CCCc2nc1NS(=O)(=O)c1cc(N)c(F)cc1F	PC-id_61508041	331.361	XCJKRRHPYPRAAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085435
s1c2CCCc2nc1NS(=O)(=O)c1c(F)cc(N)cc1F	PC-id_61508210	331.361	DOSCNTQIGREBKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085436
O=C(c1ccc(c2ccccc2)cc1)c1ccc2n1CCC2C(=O)O	PC-id_13487069,CHEMBL8891	331.365	LHPZOTUMHDXZAW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-085437
c1(C(=O)Nc2cc(OC)c(c(OC)c2)OC)c2CCCc2n(C)n1	MCULE-3514814467,PC-id_110389135,EMOLS-id_179745469	331.366	UIQDRHHKHXUIGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085438
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)n(C)nc2CCCc12	EMOLS-id_22760373,ZINC22_16848285,CoCoCo_5272990,MCULE-6671415050,PC-id_27376616	331.366	XMVAMXSZJQQIGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085439
Cc1ccc(C(=O)Nc2nc3n(c2C(=O)OC(C)(C)C)CCC3)o1	PC-id_146141578,ZINC22_1875272593	331.366	OYCQEIWOTRULNG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085440
CCOC(=O)c1nc2n(n1)C(CC2OCc1ccccc1)C(O)C	PC-id_137408293,SCHEMBL20641064	331.366	UZMRMCUDEPGQAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085441
CCOC(=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109328	331.366	JIZPJVSMIZXAED-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085442
CNC(=O)C1CC(=O)N(C1)C1CN(C1)C(=O)c1occ2c1CCC2	MCULE-4135825241,EMOLS-id_316140706	331.366	LRFWNCAOSNMTHS-UHFFFAOYSA-N	00001010100000000000100010000000000000000000000000000000	25-01-085443
CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3occ4c3CCC4)C2)C1	ZINC22_685942163	331.366	LRFWNCAOSNMTHS-LLVKDONJSA-N	00001010100000000000100010000000000000000000000000000000	25-01-085444
CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3occ4c3CCC4)C2)C1	ZINC22_685942164	331.366	LRFWNCAOSNMTHS-NSHDSACASA-N	00001010100000000000100010000000000000000000000000000000	25-01-085445
O=C1N2C(C(C(=C2C(=O)[O-])CC2C[n+]3n(C2)ccc3)C)C1C(O)C	PC-id_85206771	331.366	WLKALOAYNRDVJL-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-085446
O=C1N2[C@H]([C@H](C(=C2C(=O)[O-])C[C@@H]2C[n+]3n(C2)ccc3)C)[C@H]1[C@H](O)C	PC-id_10616487	331.366	WLKALOAYNRDVJL-GZZJDILISA-N	00001011100000000001001010000000000000000000000000000000	25-01-085447
N#Cc1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)c1ccccc1	PC-id_140261688	331.368	JJSMKBDLBDFVPE-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085448
O=C1c2cccn2C[C@H]1C(c1ccncc1)[C@@H]1Cn2cccc2C1=O	PC-id_40847200,CoCoCo_4397250,ZINC22_8861932	331.368	FHEDQLSGTAYYQD-GJZGRUSLSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085449
O=C(NCc1nnc2n1CCC2)NC[C@H](O)COc1ccccc1	PC-id_97082787,ZINC22_89845758	331.37	VLNYTCJVXUWYJF-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085491
O=C1c2cccn2C[C@@H]1C(c1ccncc1)[C@H]1Cn2cccc2C1=O	PC-id_40847201,CoCoCo_4397248,ZINC22_8861933	331.368	FHEDQLSGTAYYQD-HUUCEWRRSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085450
O=C1c2cccn2C[C@@H]1[C@@H](c1ccncc1)[C@@H]1Cn2cccc2C1=O	CoCoCo_4397247,ZINC22_247847381	331.368	FHEDQLSGTAYYQD-JLVBRIDZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085451
O=C1C(C(C2Cn3c(C2=O)ccc3)c2ccncc2)Cn2c1ccc2	PC-id_16317974,EMOLS-id_11749153,MCULE-5950928908	331.368	FHEDQLSGTAYYQD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085452
O=C1[C@H](C([C@H]2Cn3c(C2=O)ccc3)c2ccncc2)Cn2c1ccc2	PC-id_27886530	331.368	FHEDQLSGTAYYQD-MVVMVCHASA-N	00000010100000101000000010000000000000000000000000000000	25-01-085453
O=C1[C@H](Cn2c1ccc2)[C@@H]([C@@H]1Cn2c(C1=O)ccc2)c1ccncc1	CoCoCo_4397249	331.368	FHEDQLSGTAYYQD-HWWDLCQESA-N	00000010100000101000000010000000000000000000000000000000	25-01-085454
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2c(C)noc2C)n1	MCULE-4812537953	331.37	FXSKLZNQIYFVKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085455
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2c(C)noc2C)n1	EMOLS-id_316326715,MCULE-7330365421	331.37	FXSKLZNQIYFVKN-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-085456
Cc1noc([C@H](NC(=O)c2n[nH]c3c2CCC3)C2CCOCC2)n1	ZINC22_328612527	331.37	OXMSYQMRVHZGKB-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085457
Cc1noc([C@@H](NC(=O)c2n[nH]c3c2CCC3)C2CCOCC2)n1	ZINC22_328612529	331.37	OXMSYQMRVHZGKB-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085458
Cc1noc(n1)C(C1CCOCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316050330,MCULE-1602085922	331.37	OXMSYQMRVHZGKB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085459
CCc1nnc([C@H]2CCCN(C(=O)c3cc4n(n3)CCO4)[C@H]2C)o1	ZINC22_952852646,MCULE-8591269837,EMOLS-id_316140897	331.37	LDFVWYHQKYSWPB-QWRGUYRKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085460
CC(C)c1nnc([C@H]2COCCN2C(=O)c2n[nH]c3c2CCC3)o1	ZINC22_275268406	331.37	DUPNLIXOYVBPCV-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085461
CC(C)c1nnc([C@@H]2COCCN2C(=O)c2n[nH]c3c2CCC3)o1	ZINC22_275268411	331.37	DUPNLIXOYVBPCV-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085462
CCOc1ccc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)OC	EMOLS-id_319814066	331.37	BKSNXMNMDGYDAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085463
CCOc1cc(ccc1OC)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_318983672	331.37	GXIRRFMOXBKRPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085464
CCOc1ccc(cc1OC)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319245451	331.37	HFRVBTTWTVKOMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085465
CNC(=O)C1CC(=O)N(C1)C1CN(C1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_316140963,MCULE-5454073257	331.37	NZZFNRAPWKZCRY-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085466
CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc4n(n3)CCC4)C2)C1	ZINC22_685942505	331.37	NZZFNRAPWKZCRY-JTQLQIEISA-N	00001010100000000001100010000000000000000000000000000000	25-01-085467
CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc4n(n3)CCC4)C2)C1	ZINC22_685942509	331.37	NZZFNRAPWKZCRY-SNVBAGLBSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085468
COc1ccc(cc1)C(CNC(=O)NCc1nnc2n1CCC2)O	MCULE-1402381888,PC-id_53499744,EMOLS-id_35715666	331.37	MLUGKKOLBKOOJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085469
COc1ccc([C@H](O)CNC(=O)NCc2nnc3n2CCC3)cc1	PC-id_95124291,ZINC22_65390762	331.37	MLUGKKOLBKOOJP-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085470
COc1ccc([C@@H](O)CNC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_65390763,PC-id_95124292	331.37	MLUGKKOLBKOOJP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085471
COc1ccc(CNC(=O)NCc2nnc3n2CCC3)cc1OC	ZINC22_31030610,PC-id_38204948,MCULE-3138963385,EMOLS-id_36261073	331.37	PHZFAIYJLWAZFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085472
COc1cc(NC(=O)N2Cc3c(C2)c(n(n3)C)N)cc(c1C)OC	EMOLS-id_319147792	331.37	IDUBRZQTPROXLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085473
COCc1cc(ccc1OC)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319838536	331.37	KUBXZMMAVCVQCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085474
COCCNC(=O)c1cnc2CCC(CNC(=O)c3cc[nH]c3)n12	EMOLS-id_313763009	331.37	LXSZNXAYSKKRSQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-085475
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1cc[nH]c1)CC2	ZINC22_1565544565	331.37	LXSZNXAYSKKRSQ-GFCCVEGCSA-N	00000010110000000001000010000000000000000000000000000000	25-01-085476
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1cc[nH]c1)CC2	ZINC22_2055747599	331.37	LXSZNXAYSKKRSQ-LBPRGKRZSA-N	00000010110000000001000010000000000000000000000000000000	25-01-085477
COCCOc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_318981282	331.37	ARXOOHKVWKPTPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085478
COCCOc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319749676	331.37	CCTKUCSFIAPYIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085479
COCCOc1cncc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_145885413,EMOLS-id_323960573,MCULE-9279291528	331.37	QEHMRVUWNOPBAB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085480
COCCOc1cncc(C(=O)N[C@H](C)c2nnc3n2CCC3)c1	ZINC22_338162418	331.37	QEHMRVUWNOPBAB-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085481
COCCOc1cncc(C(=O)N[C@@H](C)c2nnc3n2CCC3)c1	ZINC22_338162423	331.37	QEHMRVUWNOPBAB-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-085482
COC(=O)[C@@H]1c2c[nH]nc2CN1CC(=O)NC1(C#N)CCCCC1	ZINC22_1875367528	331.37	LFUSEYHKYQMSPY-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085483
COC(=O)[C@H]1c2c[nH]nc2CN1CC(=O)NC1(C#N)CCCCC1	ZINC22_1875367529	331.37	LFUSEYHKYQMSPY-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085484
O=C1NC(=O)C(N1)(C)C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100354140	331.37	NCADZGWYHXHEHR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085485
O=C1NC(=O)C(N1)(C)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98795606	331.37	OJIAOQREISSNHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085486
O=C(c1n[nH]c2c1CCC2)N1CCOCC1c1nnc(o1)C(C)C	EMOLS-id_110477961,MCULE-1381698971	331.37	DUPNLIXOYVBPCV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085487
O=C(c1n[nH]c2c1CCC2)N1CCOCC1c1noc(n1)C(C)C	EMOLS-id_99091906	331.37	JACQBZFNUAAXJH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085488
OC(COc1ccccc1)CNC(=O)NCc1nnc2n1CCC2	MCULE-7744260178,PC-id_71894672,EMOLS-id_45753135	331.37	VLNYTCJVXUWYJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085489
O=C(C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)NC1CC1	EMOLS-id_110382080	331.37	JHNZBXJVJBZARN-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085490
O=C(NCc1nnc2n1CCC2)NC[C@@H](O)COc1ccccc1	ZINC22_89845757,PC-id_97082786	331.37	VLNYTCJVXUWYJF-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085492
S1CCn2c1nc(c2)CNC(=O)c1cc(NCC(=O)[O-])ccc1	PC-id_52377771	331.37	BSKZWNVGKOIEDX-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-085493
O(C(CC)c1nc2n(n1)c([N+]#[C-])c(c2=C)C#N)c1c(cc(cc1)C)C	PC-id_60065353	331.371	KVNOBMIHPBIVIZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085494
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)C1	ZINC22_333571762	331.373	MNYZZJRGBGILSV-KKOKHZNYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085495
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@@H]2C[C@H](C)n3ccnc23)C1	ZINC22_333571766	331.373	MNYZZJRGBGILSV-QCNOEVLYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085496
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@H]2C[C@H](C)n3ccnc23)C1	ZINC22_333571770	331.373	MNYZZJRGBGILSV-USZNOCQGSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085497
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@H]2C[C@@H](C)n3ccnc23)C1	ZINC22_333571775	331.373	MNYZZJRGBGILSV-WYUUTHIRSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085498
CO[C@H]1CN([C@@H](C1)c1[nH]ncn1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_102147615,MCULE-3620430803	331.373	MNYZZJRGBGILSV-RSJDFQLWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085499
O=C[C@@H](NC(=O)c1nn2c(n1)CCC2)CCn1nccc1N(C)C	PC-id_145225278	331.373	LMYOLHFWZVDCEQ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-085500
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)CCCCC)n1	MCULE-2354711492,EMOLS-id_8867637,PC-id_19591066,TIMTEC502673	331.376	VKLFSNMGGRQXSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085501
CCCCC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_29092435,ZINC22_20607489	331.376	VKLFSNMGGRQXSI-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085502
CCCCC[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_29092436,ZINC22_20607490	331.376	VKLFSNMGGRQXSI-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-085503
O=C(NCc1n2CCCc2nn1)Cn1nnnc1CN1CCCC1	PC-id_72840039	331.376	MFPXFQQALPWJAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085504
CC1(C)CCc2sc(NC(=O)N3CCOCC(F)(F)C3)nc12	MCULE-4114524147,EMOLS-id_102009117,ZINC22_333130911	331.381	AYYJAZSGLUNMOF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-085505
CC(c1sc2c(n1)CCC2)NC(=O)N1CCOCC(C1)(F)F	EMOLS-id_316189734,MCULE-2092329237	331.381	NVRVUKIMFBHSCE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-085506
C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1nc2c(s1)CCC2	ZINC22_656348071	331.381	NVRVUKIMFBHSCE-SECBINFHSA-N	00000010100000000101000010000000000000000000000000000000	25-01-085507
C[C@H](NC(=O)N1CCOCC(F)(F)C1)c1nc2c(s1)CCC2	ZINC22_656348072	331.381	NVRVUKIMFBHSCE-VIFPVBQESA-N	00000010100000000101000010000000000000000000000000000000	25-01-085508
O=C(CC(N1CCOCC1)C(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_319247615	331.381	KDJDBCVOMRCHLE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085509
C/C=CC=C/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)C(=O)C1(C)CCCO1)F	PC-id_138515782,SCHEMBL20867574	331.385	JVICBNWQHUOIJB-FEISGTPCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085510
Fc1ccc(cc1)C(CC(C)(C)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318424717	331.385	YFAXRLXRTJRTHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085511
Fc1ccc(c(c1)OC1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318239306	331.385	HNHPOIXLTVVOHS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-085512
c1(ccccc1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327800310,MCULE-9042651880	331.386	PZHPLVOOELOALA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085513
c1(N=Cc2ccc(cc2O)O)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL1467804,MCULE-3337443002	331.386	KUHASHMLHNOWSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085514
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)OC	CoCoCo_378734,EMOLS-id_604023,MCULE-6629645138,PC-id_718809,SPECS-id_AT-084/J170353,SPECS-id_AN-153/I176616,TIMTEC141863,SPECS-id_AN-329/12716032,BAS-08943818,SPECS-id_AT-225/NB60159,ChEMBL-DNDi_CHEMBL2798-1087,ZINC22_118503	331.386	FDXZLMXKMADNPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085515
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	PC-id_718807,EMOLS-id_604021,ChEMBL-DNDi_CHEMBL2889-0274,CoCoCo_682793,MCULE-7638346014,SPECS-id_AT-225/NB60158,ZINC22_118501,TIMTEC333849	331.386	NJZFWEJSJBFIPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085516
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)O	PC-id_28860232,MCULE-4211765030,EMOLS-id_179129474	331.386	JSHBYCFDDUAXCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085517
c1(NC(=O)C=Cc2ccc(C)o2)sc2c(CCC2)c1C(=O)OC	PC-id_896922,MCULE-8930285170	331.386	FHQKVLCKBGLOHW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085518
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)OCC	MCULE-9027202814,PC-id_5235548	331.386	QWVQQKBKTIYWOO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085519
c1(NC(=O)CCOc2ccccc2)sc2c(CCC2)c1C(=O)O	MCULE-4121320465,EMOLS-id_179129487,PC-id_28860244	331.386	DJDHXYALKXSAEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085520
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCC2)c1C(=O)O	MCULE-8996609110,EMOLS-id_179129514,PC-id_28860270	331.386	LUMKKHWTIMFVLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085521
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AN-153/I134800,MCULE-1461440478,EMOLS-id_3759639,SPECS-id_AN-329/11152143,ZINC22_38774,CoCoCo_5856155,PC-id_675891,SPECS-id_AT-084/J160207	331.386	RXBMTSQCHASDOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085522
c1(NC(=O)Oc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_692755,CoCoCo_731645,ZINC22_64394,EMOLS-id_1084687,MCULE-1884412220	331.386	RSWMHRCFYRXRCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085523
Cc1cn2c(c1)C(CC2)(C(=O)O)C(=O)c1cccc(c1)S(=O)C	SCHEMBL11437969,PC-id_70586001	331.386	UFCQAKZMFCZHPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085524
C=CCSc1cc2n(c1C(=O)c1ccco1)CCC2C(=O)OC	PC-id_70450961,SCHEMBL10818921	331.386	QNGFOTIEZPJUTA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085525
C=CCSc1cc2n(c1C(=O)c1cocc1)CCC2C(=O)OC	PC-id_70450195,SCHEMBL10816619	331.386	ALCUEUUVSNJJTL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085526
CCOC(=O)c1c2CCCc2sc1/N=C/c1ccc(O)cc1O	PC-id_135498057,EMOLS-id_25801247,CoCoCo_116391,GD-id_ZINC13126922,SPECS-id_AT-084/J158844,ZINC22_13126922,BAS-00675270,SPECS-id_AN-153/I120897	331.386	KUHASHMLHNOWSX-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085527
CCOC(=O)c1c(/N=Cc2ccc(cc2O)O)sc2c1CCC2	CoCoCo_116392	331.386	KUHASHMLHNOWSX-NVMNQCDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085528
CCOC(=O)c1c(NC(=O)c2cccc(O)c2)sc2CCCc12	EMOLS-id_328061063,MCULE-6070851925	331.386	MIUNTKVPRADNDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085529
CCOC(=O)c1c(NC(=O)c2ccc(O)cc2)sc2CCCc12	MCULE-1995662394,EMOLS-id_327789259	331.386	GWWNHENOEXNRSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085530
CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCC2	ZINC22_5247563,EMOLS-id_50416019,PC-id_6309492	331.386	QWVQQKBKTIYWOO-CMDGGOBGSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085531
CCOC(=O)c1c(sc2c1CCC2)N=Cc1cc(c(cc1)O)O	PC-id_135819315	331.386	FKBGFSILXHWJFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085532
CCOC(=O)c1c(sc2c1CCC2)N=Cc1c(c(ccc1)O)O	PC-id_135843329	331.386	LYGWHAIEUFCDNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085533
CCS(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_23333036,SCHEMBL11444437	331.386	CZDBKMWDYKUHAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085534
CCS(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11443458,PC-id_23333126	331.386	GBKCSAQDMKXQRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085535
CCS(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL11443459,PC-id_70587155	331.386	VOSMAORUVZLZAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085536
COc1ccc(cc1)C(C(=O)O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_72058786,MCULE-2152254941,PC-id_120204419	331.386	WRXYASAUXGBOGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085537
COc1c(ccc(c1)C=Nc1c(c2c(s1)CCC2)C(=O)OC)O	PC-id_135625705	331.386	AVEUMIARYXRGRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085538
COc1ccccc1NC(=O)COC(=O)c1cc2CCCc2s1	MCULE-6035333221,BindingDB-id_151001,ChEMBL-DNDi_CHEMBL1565057,BindingDB_PC-id_4828870,PC-id_4828870,EMOLS-id_3467803,ZINC22_4581582,CoCoCo_2840973,CHEMBL1565057	331.386	PNZCUZYLJSTYLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085539
COc1cccc(c1O)C=Nc1c(c2c(s1)CCC2)C(=O)OC	PC-id_135760891	331.386	NUPHDERYFUOWAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085540
COc1cccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1	MCULE-3130350376,EMOLS-id_3467795,ZINC22_6942872,CoCoCo_2840935,PC-id_4828864	331.386	WDHXWGFVRHRZJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085541
COc1ccc(C(=O)c2c(SC)cc3n2CCC3C(=O)O)cc1	CHEMBL19478,PC-id_13687516,SCHEMBL10809739	331.386	UTHOEZQFQZSETM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085542
COc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_5308626,CoCoCo_2840947,CHEMBL1554731,MCULE-3262397031,EMOLS-id_3466010,PC-id_4804225	331.386	RPBKJAXFDCJOMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085543
COCc1cc(NC(=O)c2sc3c(c2)CCC3)cc(c1)C(=O)O	MCULE-8555036306,EMOLS-id_72301938,PC-id_121856826	331.386	LYHDPOZUOZQGBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085544
COC(=O)c1c2c(CCC2)sc1NC(=O)c1cc(OC)ccc1	ZINC22_1934934,MCULE-5442852288,PC-id_1661254	331.386	JLLMZICLCJGZLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085545
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C	PC-id_13486992,SCHEMBL11436164	331.386	ZNHPQQICLRKJIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085546
COC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)S(=O)C	SCHEMBL10816614,PC-id_70450191	331.386	VMUWIBRGNVEWRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085547
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C	SCHEMBL11436167,PC-id_70585687	331.386	YJKAWJQNDLSUTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085548
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)C	SCHEMBL11443430,PC-id_23333091	331.386	MZYITJBDMLNPSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085549
COC(=O)C1(CCn2c1ccc2S(=O)C)C(=O)c1ccccc1	SCHEMBL11437873,PC-id_70585983	331.386	MWEKAYZWIUOZQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085550
COC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc2c1CCC2	PC-id_896923,ZINC22_474484,EMOLS-id_25949732,CoCoCo_898530,TIMTEC145230	331.386	FHQKVLCKBGLOHW-CMDGGOBGSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085551
COC(=O)c1c(NC(=O)/C=Cc2ccc(o2)C)sc2c1CCC2	CoCoCo_898531	331.386	FHQKVLCKBGLOHW-HJWRWDBZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085552
CSc1cc2n(c1C(=O)c1ccc(cc1)C)CCC2OC(=O)O	PC-id_70450337,SCHEMBL10817046	331.386	XJLPNPOUYSSNET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085553
O=C(c1cccc(c1C)C)Nc1sc2c(c1C(=O)O)C(OC2)C	SCHEMBL4842211,PC-id_69213238	331.386	JHWKGUPCTOZGKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085554
O=C(COC(=O)c1sc2c(c1)CCC2)NOCc1ccccc1	MCULE-4742076688,EMOLS-id_257825433	331.386	OMCCZUHYHDEOGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085555
OC(=O)C1(C)CCn2c1cc(c2C(=O)c1ccccc1)S(=O)C	SCHEMBL10819108,PC-id_70451050	331.386	WYUPJAKCLOHXLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085556
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C)S(=O)C	PC-id_20235098,SCHEMBL10903494	331.386	VWRSLIMHVZWEHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085557
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)S(=O)C)C	SCHEMBL11437967,PC-id_23333150	331.386	IYPVGRKMHFTTDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085558
OC(=O)COc1ccc(c(c1)C)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_51471886,PC-id_119231370,MCULE-5978406375	331.386	OFDXMLMHKIZVBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085559
OC(=O)COc1cccc(c1)CNC(=O)c1sc2c(c1)CCC2	PC-id_119246441	331.386	AVOHZYHQUOFAMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085560
OC(=O)COc1ccc(cc1)N(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_72625319,MCULE-9361090605,PC-id_121958206	331.386	DHWJLGCBEWFOOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085561
s1c2c(CCC2)c(c1N/C=C
/C(=CC(=O)C=C1)O)C(=O)OCC	PC-id_5391921	331.386	RPYBZJDFBFSWIZ-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085562
s1c2c(CCC2)c(c1N/C=C/1C(=CC(=O)C=C1)O)C(=O)OCC	PC-id_5759335	331.386	RPYBZJDFBFSWIZ-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085563
s1c2c(CCC2)c(c1NC=C1C(=CC(=O)C=C1)O)C(=O)OCC	PC-id_6738599	331.386	RPYBZJDFBFSWIZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085564
s1c2c(CCC2)c(c1N/C=C/1C=C(OC)C(=O)C=C1)C(=O)OC	PC-id_24156523	331.386	WGSSEXBOVPHZQB-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085565
s1c2c(CCC2)c(c1NC=C1C=C(OC)C(=O)C=C1)C(=O)OC	PC-id_74209967	331.386	WGSSEXBOVPHZQB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085566
s1c2c(CCC2)c(c1N/C=C/1C=C(O)C(=O)C=C1)C(=O)OCC	PC-id_23799101	331.386	YVZLGFNURHCHEO-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085567
s1c2c(CCC2)c(c1NC=C1C=C(O)C(=O)C=C1)C(=O)OCC	PC-id_74186333	331.386	YVZLGFNURHCHEO-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085568
s1c2CCCc2c(c1N=Cc1cc(O)c(OC)cc1)C(=O)OC	PC-id_23876964	331.386	VLRJWSPBWSDHCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085569
s1c2c(CCC2)c(c1N/C=C
/C(=O)C(=CC=C1)OC)C(=O)OC	PC-id_23732499	331.386	KCQJITLAZZGGGV-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085570
s1c2c(CCC2)c(c1NC=C1C(=O)C(=CC=C1)OC)C(=O)OC	PC-id_74111580	331.386	KCQJITLAZZGGGV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085571
s1c2c(CCC2)c(c1N/C=C
/C(=O)C(=CC=C1)O)C(=O)OCC	PC-id_23856673	331.386	IPMJVUYBKDAKJL-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085572
s1c2c(CCC2)c(c1NC=C1C(=O)C(=CC=C1)O)C(=O)OCC	PC-id_74128010	331.386	IPMJVUYBKDAKJL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085573
s1c2c(C(CC2)C(=O)OC)c(c1N)C(=O)OCc1ccccc1	PC-id_25181374	331.386	JOOPCLBASWNZFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085574
S(c1n2c(CCC2)c(c1C(=O)OC)C(=O)OC)c1ccccc1	PC-id_14669083	331.386	TYXWUKXDYODJRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085575
CCc1c(c(ccc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC	PC-id_134426877,SCHEMBL20060501	331.388	JTTSUNMWXDNTJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085576
Fc1ccc(CNC(=O)NC(c2n3CCCc3nn2)C(C)C)cc1	PC-id_60274113	331.388	XRHZEZPAWOATMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085577
Fc1cc(NC(=O)C(N(Cc2n3CCCc3nn2)C)C)c(cc1)C	PC-id_72103171	331.388	ZXZNEGJWYRABFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085578
O=C(N(C(c1ccccc1F)C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318598325	331.388	DZUPXPDZOSYTEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085579
c12SCCn1cc(CNC(=O)c1ccc(o1)C#CC(C)(C)O)n2	MCULE-4265945647,ZINC22_828166369,EMOLS-id_232857666	331.389	DNLDXEZTOYJSBW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085580
c1(c2CCCc2sc1NC(=O)c1cc(on1)C)C(=O)NC1CC1	TIMTEC305717,CoCoCo_1069757,ZINC22_13329123,PC-id_17173779,MCULE-4874145951,EMOLS-id_13330404	331.389	METVEAAVRHKBBA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085581
c1(cnc(C)cn1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-9590028222,EMOLS-id_327960098	331.389	YSYLJPNQYDMJKO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085582
c1(cncc(N)c1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4502649046,EMOLS-id_327992620	331.389	YHPGFLURXMZFBG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085583
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C(=O)OCCC	ZINC22_2764220,CoCoCo_5833239,TIMTEC177598,PC-id_4569756,MCULE-5183053499,EMOLS-id_4012460,SPECS-id_AK-968/40726784	331.389	GRWFXUNZRQFWOO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085584
c1(NC(=O)Nc2ccccn2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_181502312,MCULE-2040873553,PC-id_110492029	331.389	JWISMKQOQUNGRX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085585
c1(NC(=O)NCc2ccccn2)sc2c(CCC2)c1C(=O)OC	ZINC22_6661331,STOCK6S-06031,PC-id_8029720,MCULE-3320092477,EMOLS-id_4733679	331.389	BDEUYLUSLUZYJQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085586
c1(NC(=O)NCc2cccnc2)sc2c(CCC2)c1C(=O)OC	PC-id_17584827,MCULE-6727048634,STOCK6S-14440,CoCoCo_6533749,ZINC22_6673064,EMOLS-id_4746228	331.389	CMQSUNDQCCAJPD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085587
c1(NC(=O)NCc2ccncc2)c(C(=O)OC)c2c(CCC2)s1	ZINC22_6662641,MCULE-4669531940,EMOLS-id_4735994,TIMTEC276449,CoCoCo_6533750,STOCK6S-07577,PC-id_8031081	331.389	KXYUFPVEFAJJMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085588
Cc1cc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)on1	MCULE-2943733582,PC-id_71934994,ZINC22_65067354,EMOLS-id_44505942	331.389	OSUDOKNHDYEBAX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085589
Cc1ncc(c(c1O)/C=N/NC(=O)c1cc2c(s1)CCC2)CO	PC-id_135749611	331.389	JEJAZECNWVSFHD-CNHKJKLMSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085590
CCCc1nc2s/c(=Cc3cccc(OC)c3OC)/c(=O)n2n1	EMOLS-id_324848866	331.389	HXWMKMIKENXQRR-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085591
CCCc1nc2s/c(=Cc3cccc(OCC)c3O)/c(=O)n2n1	EMOLS-id_324846818	331.389	ZLINILPAZCBORB-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085592
CCCc1nc2s/c(=Cc3ccc(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324845294	331.389	ZFZMGOJLAPUUCX-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-085593
CCCc1nc2s/c(=Cc3ccc(O)c(OCC)c3)/c(=O)n2n1	EMOLS-id_324842735	331.389	JVSUHDDIWAXNEA-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-085594
CCCc1nc2s/c(=Cc3cc(OC)ccc3OC)/c(=O)n2n1	EMOLS-id_324849378	331.389	BJUUIGQHLGQJJG-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-085595
CCCCOc1ccc(cc1OC)/C=c/1sc2n(c1=O)ncn2	ChEMBL-DNDi_CHEMBL4341-3117,EMOLS-id_1427346,STOCK2S-24236,ZINC22_13426884,BAS-03308489	331.389	CVZOVFHOJJFKRS-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085596
CCCCOc1ccc(/C=c/sc3ncnn3c2=O)cc1OC	EMOLS-id_688760,ZINC22_2323323	331.389	CVZOVFHOJJFKRS-NTEUORMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085597
CCCCOc1ccc(C=c2sc3ncnn3c2=O)cc1OC	ZINC22_263632692,EMOLS-id_299988645,MCULE-9860345192	331.389	CVZOVFHOJJFKRS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085598
CCCOc1ccc(cc1OCC)/C=c
/sc2n(c1=O)ncn2	STOCK3S-39407,EMOLS-id_25943330,ZINC22_2376413	331.389	LNBBBAYJFWHMRJ-NTEUORMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085599
CCCOc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1OC	EMOLS-id_324841697	331.389	JOXYXOOACRDXPO-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085600
CCCOc1ccc(/C=c/2sc3ncnn3c2=O)cc1OCC	EMOLS-id_207259565,ZINC22_28629669	331.389	LNBBBAYJFWHMRJ-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085601
CCCOc1cccc(/C=c/2sc3nc(COC)nn3c2=O)c1	EMOLS-id_324899846	331.389	VCCVVEFJXICMLB-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-085602
CCOc1cc(/C=c/2sc3nc(CC)nn3c2=O)ccc1OC	EMOLS-id_324842218	331.389	RCTMOYUKJKONDH-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-085603
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(C)C)ccc1O	EMOLS-id_324848872	331.389	FUGMVECEPZOGCC-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085604
CCOc1ccc(/C=c/2sc3nc(CC)nn3c2=O)cc1OC	EMOLS-id_324845290	331.389	HARNYAIRXURKPN-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-085605
CCOc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1OCC	EMOLS-id_324844768	331.389	DLHFHBZAUVACRE-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085606
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)C)c1O	EMOLS-id_324848875	331.389	XEQDIPHUHOBVNM-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085607
CCOc1ncccc1C(=O)NNC(=O)c1cc2c(s1)CCC2	PC-id_27684459,EMOLS-id_33334063,MCULE-9593261915	331.389	ILOKSMVNWIFFTC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085608
CCOC(=O)c1c(NC(=O)c2ccnc(N)c2)sc2CCCc12	EMOLS-id_328017627,MCULE-8183401700	331.389	JPRQKZPDMLFHKW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085609
CNC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(cc1)OC	MCULE-8631076149,EMOLS-id_12347727,PC-id_16947833	331.389	DVAHPGYDXSSSEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085610
CNC(=O)[C@H]1CCc2c1nc(s2)NC(=O)c1ccc(cc1)OC	CoCoCo_5124865,PC-id_41007098	331.389	DVAHPGYDXSSSEX-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-085611
CNC(=O)[C@@H]1CCc2c1nc(s2)NC(=O)c1ccc(cc1)OC	PC-id_41007096,CoCoCo_5124864	331.389	DVAHPGYDXSSSEX-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085612
COc1cc(/C=c/2sc3nc(CC(C)C)nn3c2=O)ccc1O	EMOLS-id_324855022	331.389	KAWDYWVOSHKPOX-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085613
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(C)C	EMOLS-id_2454754,ZINC22_16266073	331.389	ASZQFTIOXBFTFT-AUWJEWJLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085614
COc1cc(C=c2sc3ncnn3c2=O)ccc1OCC(C)C	ZINC22_254404477,EMOLS-id_300025950,MCULE-3061917527	331.389	ASZQFTIOXBFTFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085615
COc1cc(/C=c/sc3ncnn3c2=O)ccc1OCC(C)C	ZINC22_464869,EMOLS-id_45963582	331.389	ASZQFTIOXBFTFT-VGOFMYFVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085616
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)ccc1O	EMOLS-id_324852961	331.389	KQPOCGALJDDIAA-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085617
COc1ccccc1NC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_5112116,CoCoCo_3483775	331.389	IXEUKAYPYFYZEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085618
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1OC	EMOLS-id_324847336	331.389	FOUFVYYMTHWCMG-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085619
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)C)c1OC	EMOLS-id_324846828	331.389	HYZDZLPMYKYTSW-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085620
COc1ccc(OC)c(/C=c/2sc3nc(nn3c2=O)C(C)C)c1	EMOLS-id_324847340	331.389	PKNGCVAQMAPCLV-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085621
COCc1nc2s/c(=Cc3cccc(OC(C)C)c3)/c(=O)n2n1	EMOLS-id_324900870	331.389	WXZGCUPPCLFHSB-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085622
n12c(=O)c(=Cc3cccc(OC)c3OC)sc1nc(C(C)C)n2	MCULE-5529855443	331.389	HYZDZLPMYKYTSW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085623
n12c(=O)c(=Cc3ccc(c(OC)c3)OC)sc1nc(C(C)C)n2	MCULE-6206524657	331.389	FOUFVYYMTHWCMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085624
n12c(=O)c(=Cc3ccc(c(OC)c3)O)sc1nc(C(C)(C)C)n2	MCULE-8639830433	331.389	KQPOCGALJDDIAA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085625
n12c(=O)c(=Cc3ccc(c(OCC)c3)O)sc1nc(C(C)C)n2	MCULE-4483551244	331.389	FUGMVECEPZOGCC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085626
n12c(=O)c(=Cc3cccc(OCC)c3O)sc1nc(C(C)C)n2	MCULE-9072484533	331.389	XEQDIPHUHOBVNM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085627
n12c(=O)c(=Cc3cc(OC)ccc3OC)sc1nc(C(C)C)n2	MCULE-7001867528	331.389	PKNGCVAQMAPCLV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085628
n12nc(nc1sc(=Cc1ccc(c(OC)c1)O)c2=O)CC(C)C	MCULE-6436690985	331.389	KAWDYWVOSHKPOX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085629
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)CCC	MCULE-1132654540	331.389	ZFZMGOJLAPUUCX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085630
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCC	MCULE-4579746740	331.389	HXWMKMIKENXQRR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085631
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)CC	MCULE-6075719160	331.389	HARNYAIRXURKPN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085632
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)C	MCULE-2383350167	331.389	JOXYXOOACRDXPO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085633
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCC	MCULE-8046926872	331.389	ZLINILPAZCBORB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085634
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)O)c2=O)CCC	MCULE-9335541702	331.389	JVSUHDDIWAXNEA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085635
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC)c2=O)CC	MCULE-6560601179	331.389	RCTMOYUKJKONDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085636
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)C	MCULE-3474679343	331.389	DLHFHBZAUVACRE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085637
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O	MCULE-7126972479	331.389	LNBBBAYJFWHMRJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085638
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COC	MCULE-2736016842	331.389	VCCVVEFJXICMLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085639
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COC	MCULE-9017795129	331.389	WXZGCUPPCLFHSB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085640
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)CCC	MCULE-4168258381	331.389	BJUUIGQHLGQJJG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085641
N[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=NO)/[C@@H]1O	CoCoCo_5749114,ZINC22_8665755,PC-id_98562505	331.389	WPZDPSRIOXTUPX-FGWYAYKLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085642
N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=N/O)/[C@@H]1O	PC-id_93475046,CoCoCo_5749117,ZINC22_104315567	331.389	WPZDPSRIOXTUPX-XHDJLHPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085643
N[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=N/O)/[C@@H]1O	ZINC22_104315570,PC-id_92341300,CoCoCo_5749115	331.389	WPZDPSRIOXTUPX-UWWGVUOFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085644
N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=NO)/[C@@H]1O	ZINC22_38180813,PC-id_98562504,CoCoCo_5749116	331.389	WPZDPSRIOXTUPX-YBRAETAVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085645
O=c1[nH]c(=O)[nH]c(c1)C1CCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_316687422	331.389	KYDOBHLJBBMYIJ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-085646
O=C(C1CC(=O)N(Cc2occc2)C1)Nc1sc2c(CCC2)n1	PC-id_45836144,MCULE-1717672666,EMOLS-id_25638931	331.389	JJRBFZCJOSGPQU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085647
O=Cc1nc(n2c1SC(C2C(=O)O)(C)C)C(c1ccccc1)N	PC-id_102339960	331.389	YKSSANQOESFZQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085648
O=C(Cc1ccon1)Nc1sc2c(c1C(=O)NC1CC1)CCC2	ZINC22_74806343,EMOLS-id_49080611,PC-id_71983592,MCULE-2621697210	331.389	FCESYPBLNDOXKL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-085649
OCC(NC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2)(C)C	SCHEMBL7146731	331.389	ABQVCWLZXJYCQD-POHAHGRESA-N	00000010110000000000000010000000000000000000000000000000	25-01-085650
OCC(NC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2)(C)C	SCHEMBL7146735,PC-id_70003802	331.389	ABQVCWLZXJYCQD-UXBLZVDNSA-N	00000010110000000000000010000000000000000000000000000000	25-01-085651
OCC(NC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2)(C)C	SCHEMBL7146738,PC-id_18626993	331.389	ABQVCWLZXJYCQD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-085652
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(Cc2ccco2)C1	CoCoCo_4164237,ZINC22_31282893,PC-id_38493201	331.389	JJRBFZCJOSGPQU-JTQLQIEISA-N	00000010101000000001000010000000000000000000000000000000	25-01-085653
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC22_31282890,PC-id_38493199,CoCoCo_4164238	331.389	JJRBFZCJOSGPQU-SNVBAGLBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085654
O/N=C
/c2sccc2[C@@H]([C@@H]1O)NC(=O)[C@@H](Cc1ccccc1)N	CoCoCo_5749113	331.389	WPZDPSRIOXTUPX-IITXBXNVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085655
O/N=C/1c2sccc2[C@H]([C@@H]1O)NC(=O)[C@@H](Cc1ccccc1)N	CoCoCo_5749118	331.389	WPZDPSRIOXTUPX-IFFOKJPASA-N	00000010100000110000000010000000000000000000000000000000	25-01-085656
O/N=C
/c2sccc2[C@H]([C@@H]1O)NC(=O)[C@@H](Cc1ccccc1)N	CoCoCo_5749119	331.389	WPZDPSRIOXTUPX-LYTGSQAFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085657
O/N=C/1c2sccc2[C@H]([C@@H]1O)NC(=O)[C@H](Cc1ccccc1)N	CoCoCo_5749120	331.389	WPZDPSRIOXTUPX-MESBIFDQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085658
O/N=C
/c2sccc2[C@H]([C@@H]1O)NC(=O)[C@H](Cc1ccccc1)N	CoCoCo_5749121	331.389	WPZDPSRIOXTUPX-MCILZTRDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085659
s1c2CCCc2cc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1	PC-id_9308655	331.389	YFWFCFBOKNMYHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085660
s1c2CCCc2cc1C(=O)NCCNc1c([N+](=O)[O-])cccc1	PC-id_9278488	331.389	BLJQYMVCXSCSJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085661
s1c2CCCc2cc1C(=O)NNC=C1C(=CN=C(C1=O)C)CO	PC-id_9462609	331.389	SAWPYCQSWMPNLN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-085662
s1c2CCCc2cc1C(=O)OCC(=O)N(CCC#N)CCC#N	PC-id_45637932	331.389	OYKASSMHMUUAAF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085663
s1c2CCCc2nc1NC(=O)c1cc(NC(=O)OCC)ccc1	PC-id_33040440	331.389	QMMRTFAXBUFSEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085664
s1c2CCCc2nc1NC(=O)CNC(=O)COc1ccccc1	PC-id_33040814	331.389	RWTUWCIAMUXGKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085665
s1c2CCCc2nc1NC(=O)COc1ccc(CC(=O)N)cc1	PC-id_48673257	331.389	QVXVBLSMEOXNPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085666
s1c2c([C@H](NC(=O)C(N)Cc3ccccc3)[C@H](O)C2=NO)cc1	PC-id_387818	331.389	WPZDPSRIOXTUPX-WGIUUAEBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085667
s1c2c(C(NC(=O)C(N)Cc3ccccc3)C(O)C2=NO)cc1	PC-id_499496	331.389	WPZDPSRIOXTUPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085668
s1c2c(C(NC(=O)C(N)Cc3ccccc3)C(O)/C/2=N/O)cc1	PC-id_5790502	331.389	WPZDPSRIOXTUPX-UYRXBGFRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085669
S1C(C(=O)n2c1nnc2C)C=Cc1cc(OC)c(OCC)cc1	PC-id_18891896	331.389	RHFGWCGUJYFPLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085670
S1C(C(=O)n2c1nnc2C)C=Cc1c(OC)cc(OCC)cc1	PC-id_18891898	331.389	BQCDCPDHRWMBRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085671
n12nc(nc1sc(=Cc1ccccc1)c2=O)C=Cc1ccccc1	MCULE-4562765982	331.391	ZNYLARPEMGASAX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085672
O=c1/c(=C/c2ccccc2)/sc2nc(/C=C/c3ccccc3)nn12	EMOLS-id_45970150,ZINC22_27021667	331.391	ZNYLARPEMGASAX-SSLWBDRLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085673
O=c1/c(=Cc2ccccc2)/sc2nc(/C=C/c3ccccc3)nn12	ZINC22_16779389	331.391	ZNYLARPEMGASAX-VUWKKMCJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085674
OC(=O)c1ncsc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_104255243	331.391	YDQCWANZUGGXOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085675
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cscn1	MCULE-6764417618,EMOLS-id_207863216	331.393	CNTPWOHYQQWXLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085676
c1(NC(=O)CCCNC(=O)c2cnccn2)sc2c(CCC2)n1	ZINC22_72404896,PC-id_60178750,EMOLS-id_46566255,STOCK7S-28863,MCULE-8608816193,EMOLS-id_43039767	331.393	OKIFZCKSBFWDHV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085677
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)/C=C/c1cccs1	SCHEMBL2919664,PC-id_68441024	331.393	MIOFGTCCCPGJJS-AATRIKPKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085678
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)/C=C/c1cscc1	PC-id_68441461,SCHEMBL2920996	331.393	CXYMEDNBXHQSEX-ONEGZZNKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085679
O=C(c1ccc(nn1)N1CCCCC1)Nc1onc2c1CSC2	PC-id_121027963	331.393	NPDSLFKILPIQED-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-085680
O=C(N1CC(C1)c1nc[nH]n1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_320274546,MCULE-6095974651	331.393	OONWQKVNQFANBU-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-085681
s1cc(C=CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NCC)cc1	PC-id_68441465	331.393	CXYMEDNBXHQSEX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085682
s1c(C=CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NCC)ccc1	PC-id_68441025	331.393	MIOFGTCCCPGJJS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085683
O=C(NCCc1nnc2n1CCC2)NCc1cn2ccsc2n1	ZINC22_95409919,MCULE-3885103767,EMOLS-id_48254453,PC-id_75378317	331.396	OWRDWKALANZDLQ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-085684
Fc1ccc(cc1)C1OCCN(C1)C(=O)c1sc2c(c1)CCC2	MCULE-6498117610,EMOLS-id_30007270,PC-id_45872780	331.404	QEORRXYYKNFWNV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085685
O=C(c1cc2c(s1)CCC2)N1CCO[C@H](c2ccc(F)cc2)C1	CoCoCo_4746695,ZINC22_30230777,PC-id_37435637	331.404	QEORRXYYKNFWNV-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085686
O=C(c1cc2c(s1)CCC2)N1CCO[C@@H](c2ccc(F)cc2)C1	CoCoCo_4746696,ZINC22_30230778,PC-id_37435638	331.404	QEORRXYYKNFWNV-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085687
C1Cc2c(C1)sc(n2)NC(=O)CN1CCC1c1ccc(cc1)F	EMOLS-id_316924371,PC-id_136552582,MCULE-8969940382	331.408	PGOGFZVFHHQSPN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085688
CCC(CC)c1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324856034	331.408	WLCUDLFDPKGLHI-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085689
CCOC(=O)c1c(NC(=O)CS(=O)(=O)C)sc2c1CCC2	ZINC22_604295335,EMOLS-id_316816242,MCULE-5651051024	331.408	DCNQPYHOKAVCMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085690
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1ccccc1	PC-id_59180092,SCHEMBL1004070	331.408	FTMAJTRZMBEGEV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-085691
COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(cc1)c1ccccc1	PC-id_59180160,SCHEMBL1004866	331.408	LTKXVYDJMMZVLR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-085692
Fc1cccc(c1)C1CCN1C(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318645743	331.408	XMDWMHSOWWZYSY-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085693
Fc1ccc(cc1)N1CCC(C1=O)NCc1sc2c(n1)CCC2	MCULE-9848756297,EMOLS-id_318318417	331.408	SQEFHKYHPGNNBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085694
n12c(=O)c(=Cc3ccc(F)c(C)c3)sc1nc(C(CC)CC)n2	MCULE-4102680413	331.408	WLCUDLFDPKGLHI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085695
O=C1CC(CN1c1ccccc1F)NCc1sc2c(n1)CCC2	MCULE-7990219172,EMOLS-id_318284412	331.408	AADNGQLAFNONOO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085696
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2	ZINC22_661515221	331.408	PGOGFZVFHHQSPN-AWEZNQCLSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085697
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2	ZINC22_661515222	331.408	PGOGFZVFHHQSPN-CQSZACIVSA-N	00001010100000110001100010000000000000000000000000000000	25-01-085698
s1c2CCCc2cc1C(=O)NC(CCS(=O)(=O)C)C(=O)O	PC-id_43107635	331.408	PCSXZRFPSAVWOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085699
S(=O)(=O)(C(C(=O)Nc1sc2c(CCC2)c1C(=O)O)(C)C)C	PC-id_64035296	331.408	UZYCHPAEDNNSNP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085700
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)C1CCOCC1	PC-id_62047709	331.408	CAAKDZYCYZNLCC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085701
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)CC1OCCC1	PC-id_63246796	331.408	ZAPBURGPZKOAOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085702
C1Cc2c(n(c(=O)n2C1)CCCCNCCOc1ccccc1)O	PC-id_91074332	331.409	WOVORCOTWSDUIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085703
CN(CCCCn1c(c2CCCn2c1=O)O)c1ccccc1OC	PC-id_91123243	331.409	IYJMBMYGIAHFCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085704
COC(=O)c1c(NC(=O)C[n+]2ccccc2C)sc2c1CCC2	GD-id_ZINC22353492	331.409	HDDADUHWUNNDGA-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-085705
COC(=O)c1c(NC(=O)C[n+]2cccc(c2)C)sc2c1CCC2	GD-id_ZINC22404559	331.409	SKWKGRJXUCRZQN-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-085706
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)OC(C)(C)C	PC-id_92109479	331.409	QQSPRZHKHMAYLV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085707
O=C(OCc1coc(c2cccs2)n1)c1cc2c(s1)CCC2	PC-id_7291841,CoCoCo_2840785,EMOLS-id_24016273,MCULE-6535706863,ZINC22_4581417	331.409	UTCUYIKTXIXFTR-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085708
s1c2CCCc2cc1C(=O)OCc1noc(c1)c1sccc1	PC-id_8752707	331.409	ORJXULYGAYSSJW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085709
c1(C(=O)N(Cc2ccccc2)Cc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_334771522,MCULE-4554318061	331.411	FPXVHXGXPMIMLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085710
c1(NC(=O)c2ccc(cc2)Cc2ccccc2)n(C)nc2CCCc12	EMOLS-id_24910398,PC-id_30859111,CoCoCo_5273013,ZINC22_23135671,MCULE-5918884239,GD-id_ZINC23135671	331.411	PWUWXHZGLVCLCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085711
Cc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	EMOLS-id_328223860,MCULE-5724376881	331.411	JRQKTPJGLUNIIF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085712
Cc1cccnc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328224121,MCULE-7478742913	331.411	CGGNOBLBIKRAKQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085713
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cn1	EMOLS-id_328220789,MCULE-5306315671	331.411	HFCZLNXMENNRBI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085714
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1	MCULE-7152893370,EMOLS-id_328222326	331.411	SDKDMHKYEVYPEM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085715
Cc1ccnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328224633,MCULE-3164437630	331.411	IHXJSEMABGBDJV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085716
Cc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)ccn1	MCULE-6691618093,EMOLS-id_328222078	331.411	OQYQHIZIHJTUCG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085717
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)N	EMOLS-id_328216945,MCULE-3793000551	331.411	QYNDVEASQOSXBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085718
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1N	MCULE-2508846540,EMOLS-id_328217969	331.411	IDHHYDYFPOYTTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085719
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(N)c1	MCULE-4652218854,EMOLS-id_328217465	331.411	HMPMZTHOOUKCIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085720
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccccn1	MCULE-3291295584,EMOLS-id_328215158	331.411	VWPSKYFRACEZLQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085721
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1cccnc1	EMOLS-id_328209023,MCULE-1874226405	331.411	UVXVRBJZPVWRIY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085722
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccncc1	MCULE-6102307840,EMOLS-id_328213107	331.411	GBBZTASWOBXXGB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-085723
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(cc1)c1ccccc1	GD-id_ZINC38511294,PC-id_45536848	331.411	LTRRHYONQZXZBK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085724
O=C(Nc1n(nc2c1CCC2)C)C(c1ccccc1)c1ccccc1	PC-id_45536298	331.411	SFLVAVNBFZZNHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085725
O=C(Nc1n[nH]c2c1CCC2C)Cc1ccc(cc1)c1ccccc1	SCHEMBL6542256,PC-id_9902097	331.411	WTKSXMVGSZYGQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085726
O=C(N(C)C)CNC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_95043460	331.411	YPSWLTVLOLEPTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085727
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1onc2c1CSC2)C	PC-id_49720108	331.411	UXVMHCDAFNNMAG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085728
S(=O)(=O)(N1CCC(CC1)C(=O)O)Nc1sc2CCCc2n1	PC-id_61508989	331.411	CIVKLSDWIRMFOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085729
S(=O)(=O)(N1CC(CCC1)C(=O)O)Nc1sc2CCCc2n1	PC-id_61509023	331.411	MUOUMUMVVHVGHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085730
S(=O)(=O)(N1C(CCCC1)C(=O)O)Nc1sc2CCCc2n1	PC-id_61509063	331.411	KZSUXDKOHSJPRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085731
c1(cc(nn1CC)CC(C)C)C(=O)N1Cc2c(n(nc2)CCO)C1	EMOLS-id_36613268,ZINC22_67956361,MCULE-1864038761,PC-id_56758775	331.413	WVKVRZINYNVCMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085732
CC(C(=O)NC1CC1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98172434	331.413	SCUSKCVWTFRAJY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085733
CCN(Cc1ccc(o1)C(=O)NC(c1nnc2n1CCC2)C)CC	MCULE-5709006986,EMOLS-id_31936160,PC-id_45819124	331.413	UAWXYUDONFGJLB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085734
CCN(Cc1ccoc1)C(=O)N[C@H](c1nnc2n1CCC2)C(C)C	PC-id_95616363,ZINC22_71886666	331.413	YKNGVEBDDZEDIP-HNNXBMFYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085735
CCN(Cc1ccoc1)C(=O)N[C@@H](c1nnc2n1CCC2)C(C)C	ZINC22_71886665,PC-id_95616362	331.413	YKNGVEBDDZEDIP-OAHLLOKOSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085736
CCN(CC)Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)o1	CoCoCo_4879941,ZINC22_40522748,PC-id_93615687	331.413	UAWXYUDONFGJLB-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085737
CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)o1	PC-id_93615688,ZINC22_40522751,CoCoCo_4879942	331.413	UAWXYUDONFGJLB-GFCCVEGCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085738
CCN(C(=O)NC(c1nnc2n1CCC2)C(C)C)Cc1cocc1	MCULE-9706637989,PC-id_56783569,EMOLS-id_36963311	331.413	YKNGVEBDDZEDIP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-085739
CCOCn1nc(c(c1C)CC(C(=O)N1Cc2c(C1)cn[nH]2)C)C	EMOLS-id_318312330	331.413	YOWVDZDCIDQOFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085740
CCOCn1nc(c(c1C)CC(C(=O)N1CCn2c1ncc2)C)C	EMOLS-id_279043798	331.413	NURJQEBBAGUYRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085741
CCOCn1nc(c(c1C)CC(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_319881078,MCULE-9879867295	331.413	FDDPLUROIYYHAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085742
CN1CC[C@H](N2CCC(NC(=O)c3cc4n(n3)CCC4)CC2)C1=O	ZINC22_333516815	331.413	VJTKOCMFWMQYGM-HNNXBMFYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085743
CN1CC[C@@H](N2CCC(NC(=O)c3cc4n(n3)CCC4)CC2)C1=O	ZINC22_333516817	331.413	VJTKOCMFWMQYGM-OAHLLOKOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085744
O=C1N(C)CCC1N1CCC(CC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_102244796	331.413	DEIZMGKROUEOJR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085745
O=C1N(C)CCC1N1CCC(CC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_102244751,MCULE-8664670097	331.413	VJTKOCMFWMQYGM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085746
O=C1N(C)CCC1N1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98602924	331.413	DRTIFMDRLSMIMV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085747
O=C1NCCN1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110008	331.413	BVGAQPFACXJXMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085748
O=C(C1CN(C(=O)C1)C1CCCC1)NC(c1nnc2n1CCC2)C	MCULE-7728011354,EMOLS-id_257873239	331.413	GAVOOCOUNBYLJI-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085749
O=C(N1Cc2c(C1)c(nn2C)C(=O)NC1CC1)NC1CCCCC1	EMOLS-id_207862857,MCULE-6595712631	331.413	OONYJMLUZYRYRK-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085750
O=C(N1CCCC1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110546550	331.413	IFHNWPCWGJTHPH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085751
O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)CN1CCCC1	EMOLS-id_98302203	331.413	DTLUDHYYNRAFLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085752
s1c2CCCc2c(c1NC(=O)CSc1[n+]([O-])cccc1)C#N	PC-id_8605416	331.413	MOQCUWPIZMPWPG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-085753
c1(c[nH]nc1c1cccs1)C(=O)NCc1cn2c(SCC2)n1	EMOLS-id_82729197,MCULE-7714918448,ZINC22_426571850,PC-id_119069524	331.416	WVOPHBMBDXAPFQ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085754
c1(NC(=O)c2csc(n3cccc3)n2)n(C)nc2CSCc12	ZINC22_604418771,EMOLS-id_188943860,MCULE-6844777956,STOCK7S-66739	331.416	BHXXPXXODXRIIT-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-085755
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2nnc3n2CCC3)n1	PC-id_94184364,ZINC22_48373168	331.416	DKSPLKWFANAYNF-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-085756
Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2nnc3n2CCC3)n1	PC-id_94184365,ZINC22_48373169	331.416	DKSPLKWFANAYNF-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085757
Cc1cc(NC(=O)NCCc2nnc3n2CCC3)n(C(C)(C)C)n1	MCULE-2461810114,ZINC22_95407847,PC-id_75376725,EMOLS-id_48250032	331.416	CDKCNLUMJXEFPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085758
CCc1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324842215	331.416	YTILZLQRMDCHRK-YHYXMXQVSA-N	00000000100000000001000110000000000000000000000000000000	25-01-085759
CC(C)(C)[C@H](Cn1ccnc1)NC(=O)NCc1nnc2n1CCC2	PC-id_95152412,ZINC22_65563106	331.416	IKBGVPTZPJPMQK-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085760
CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)NCc1nnc2n1CCC2	ZINC22_65563104,PC-id_95152411	331.416	IKBGVPTZPJPMQK-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085761
CC(CC(n1nccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C)C	EMOLS-id_319728062	331.416	LPCLJXWWPAKNFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085762
CC(Cn1nc(cc1C)C)CNC(=O)NCc1nnc2n1CCC2	MCULE-8925127456,PC-id_53505925,EMOLS-id_35714036	331.416	DKSPLKWFANAYNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085763
CCNC(=NCc1nnc2n1CCC2)NCc1onc(c1)C(C)C	PC-id_111584088	331.416	AMAIAAHVKLRGBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085764
Cn1cc(c2nc(C(=O)Nc3nc4c(s3)CCC4)cs2)cn1	MCULE-9430741211,EMOLS-id_32003182,PC-id_47047896,ZINC22_44906532	331.416	SXVYGHHKZWFBIY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085765
CN=C(NCc1nnc2n1CCC2)NCc1c(CC)onc1CC	PC-id_109590819	331.416	AOAYNWIPVPJYLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085766
CN=C(NCc1nnc2n1CCC2)NCc1ncc(o1)C(C)(C)C	PC-id_111592907	331.416	VEDFLCQFQLCDQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085767
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CC	MCULE-7122230297	331.416	YTILZLQRMDCHRK-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-085768
O=C(c1csc(n1)c1cscc1)NCc1nnc2n1CCC2	CoCoCo_4651279,PC-id_38170216	331.416	ADDDINKVVLAYQI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085769
O=C(Nc1nnc(Cc2ccsc2)s1)c1n[nH]c2c1CCC2	ZINC22_95394996,PC-id_75420403,EMOLS-id_48232523,MCULE-1044361289	331.416	FWOUEBXDCVFCEW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085770
O=C(NC(C(C)(C)C)Cn1ccnc1)NCc1n2CCCc2nn1	EMOLS-id_35718952,MCULE-7899012389,PC-id_53514890	331.416	IKBGVPTZPJPMQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085771
S(=O)(=O)(On1c(O)c2C(CC(c2c1O)CC)CC)CCCC	PC-id_54277234	331.428	ROGGERSONDNJEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085772
c1(C(=O)OCC)c2CCCc2sc1NCc1ccc(cc1O)C	MCULE-3676481275,CoCoCo_6876801,STOCK2S-84036,EMOLS-id_3738284,ZINC22_348530,PC-id_827800,SPECS-id_AE-848/12530129	331.429	CXCIJOGJMMUFJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085773
c1(C(=O)OCC)c2CCCc2sc1NCc1cc(C)ccc1O	CoCoCo_6207932,STOCK3S-12398,PC-id_827801,MCULE-8098063207,ZINC22_348531,SPECS-id_AE-848/12530130,EMOLS-id_3738286	331.429	YMMSKAJCQBTOIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085774
CCc1cc2n(c1C(=O)c1cccs1)CCC2C(=O)OC(C)C	PC-id_20356108,SCHEMBL11662199	331.429	BWEZCARIJNVXPI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085775
CCCCc1cc2n(c1C(=O)c1sccc1C)CCC2C(=O)O	SCHEMBL11654551,PC-id_20356151	331.429	KTVWPKLLQLOGQD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085776
CC(CCOC(=O)C1CCn2c1ccc2C(=O)c1cccs1)C	SCHEMBL11664674,PC-id_20356147	331.429	JCQNDRHCHGDWOM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085777
CCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C	MCULE-7273302421,PC-id_7623562,EMOLS-id_43413370,ZINC22_5308066,CoCoCo_2840721	331.429	DIDUNPDHFMMPKX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-085778
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(s1)C)C)C	SCHEMBL11657624,PC-id_20356079	331.429	KYIWQQRFQDIMLI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085779
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1scc(c1)C)C)C	PC-id_20356124,SCHEMBL11657494	331.429	ISDRBFIJSFXHAP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085780
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1sccc1C)C)C	SCHEMBL11661181,PC-id_20356107	331.429	NHGRCBNTASPOAQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085781
COc1ccc(CCNC(=O)c2cc3c(s2)CCC3)cc1OC	MCULE-2981687166,ZINC22_6935548,EMOLS-id_2880772,PC-id_4802429,CoCoCo_3187636	331.429	AGDPRLNKBYMBGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085782
COc1cc(OC)c(cc1C(=O)N1Cc2c(C1)ccs2)C(C)C	PC-id_141432078	331.429	LKDIMPVDRUYOPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085783
COc1c(sc2c1CCC2)C(=O)NC(Cc1ccccc1)CO	PC-id_91956505	331.429	ZJUWGGFYLGCAHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085784
COc1c(sc2c1CCC2)C(=O)NCCC(c1ccccc1)O	PC-id_91956502	331.429	VJIUASCBEHILBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085785
COCCOc1cccc(c1)CNC(=O)c1sc2c(c1)CCC2	PC-id_87005441	331.429	ALJMAXUMPVENPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085786
O=C(c1cc2c(s1)CCC2)N(Cc1ccco1)C[C@@H]1CCCO1	ZINC22_98107236	331.429	NXIFBRCJKKTCFL-HNNXBMFYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085787
O=C(c1cc2c(s1)CCC2)N(Cc1ccco1)C[C@H]1CCCO1	ZINC22_98107237	331.429	NXIFBRCJKKTCFL-OAHLLOKOSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085788
O=C(c1sc2c(c1)CCC2)N(Cc1ccco1)CC1CCCO1	MCULE-9564256580,EMOLS-id_189655826	331.429	NXIFBRCJKKTCFL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-085789
OC(CNC(=O)c1sc2c(c1)CCC2)COc1cccc(c1)C	PC-id_112292483	331.429	SYFZDRCIKIMPCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085790
s1c2CCCc2cc1C(=O)Nc1c(OCC)ccc(OCC)c1	PC-id_34749625	331.429	DXKOTTSFFGXBDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085791
s1c2CCCc2cc1C(=O)N(Cc1cc(OC)c(OC)cc1)C	PC-id_29227991	331.429	ODYLCTDRAFJELY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085792
s1c2CCCc2cc1C(=O)NC(c1c(OC)ccc(OC)c1)C	PC-id_51207596	331.429	ZFMBOLGMLVQTDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085793
s1c2CCCc2cc1C(=O)N(Cc1c(OC)cc(OC)cc1)C	PC-id_29228234	331.429	SXONSIGOTNCZLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085794
s1c2CCCc2cc1C(=O)N(Cc1c(OC)c(OC)ccc1)C	PC-id_31361122	331.429	GRWWDLPFZNJJMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085795
s1c2CCCc2cc1C(=O)N(CCOc1ccc(OC)cc1)C	PC-id_9225223	331.429	ZGMHBIGXNBRZQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085796
s1c2CCCc2cc1C(=O)NCCOc1ccc(OCC)cc1	PC-id_9501536	331.429	FGHHZTOYPAEPHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085797
s1c2CCCc2cc1C(=O)N[C@H](c1c(OC)ccc(OC)c1)C	PC-id_9477367	331.429	ZFMBOLGMLVQTDG-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-085798
s1c2CCCc2cc1C(=O)N[C@@H](c1c(OC)ccc(OC)c1)C	PC-id_9477368	331.429	ZFMBOLGMLVQTDG-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085799
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@H]([C@H](O)C1)c1sccc1C	MCULE-9788978217,EMOLS-id_32420870,ZINC22_67867537,PC-id_50976028	331.433	LULPCUFTLNWTDK-TZMCWYRMSA-N	00000010100110000001100010000000000000000000000000000000	25-01-085800
c1(cc2c(CCC2)s1)C(=O)N1CC[C@@H]([C@H](CC1)n1ccnc1)O	PC-id_110126757,ZINC22_257274964,EMOLS-id_48406511,BDE-33861980,MCULE-2788970797	331.433	NNKQUUGYYFLEKD-KBPBESRZSA-N	00000010100000000101100010000000000000000000000000000000	25-01-085801
C1(CCCCC1C(=O)Nc1sc2CCCc2c1C#N)C(=O)NC	MCULE-6458417678,EMOLS-id_328180562	331.433	SEAVUCFGTCQJKP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085802
c1(C(=O)N2CCC(CC2)C(O)c2cccs2)c2CCCc2[nH]n1	EMOLS-id_316233566,MCULE-4081241218	331.433	GFFRKJVAQDAQQT-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085803
c1(C(=O)NCCc2sc3c(CCC3)n2)c(C)cc(n(C)c1=O)C	ZINC22_299766898,PC-id_118766651,EMOLS-id_68882534,MCULE-1565979833	331.433	GTPNCLJRMZICFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085804
c1(NC(=O)c2ccccc2C)n(C(C)(C)C)nc2CS(=O)Cc12	ChEMBL-DNDi_CHEMBLF0561-0325,EMOLS-id_5442719,MCULE-4418013857,PC-id_2160317	331.433	KWYQVVSEHQCCIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085805
c1(NC(=O)c2cccc(c2)OCC(C)C)n(C)nc2CSCc12	MCULE-4619150173,EMOLS-id_334565310	331.433	XZINJAFLUCFXMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085806
c1(NC(=O)c2ccc(cc2)OCC(C)C)n(C)nc2CSCc12	MCULE-9303008002,EMOLS-id_334563263	331.433	JFFIAKGDJGZFPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085807
c1(NC(=O)c2cccc(OC)c2)c2CSCc2nn1C(C)(C)C	ZINC22_189413,MCULE-8441254073,CoCoCo_4972586,ChEMBL-DNDi_CHEMBLF0396-0048,EMOLS-id_5426087,Chemmine_40082,PC-id_4537058	331.433	ARXPCQPTBYDBLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085808
c1(NC(=O)C2CC(=O)N(C(C)(C)C)C2)sc2c(CCC2)c1C#N	MCULE-3320768666,EMOLS-id_322628160	331.433	AUDUVBIQZVHWNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085809
c1(NC(=O)Cc2ccccc2)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-7681777402,PC-id_2160294,EMOLS-id_5442673	331.433	DSOQUFUEODTRAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085810
c1(NC(=O)Cc2ccc(cc2)OCCC)n(C)nc2CSCc12	EMOLS-id_334561971,MCULE-7348670433	331.433	ICMPCSQWPJGRIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085811
c1(NC(=O)Cc2ccc(cc2)OC(C)C)n(C)nc2CSCc12	MCULE-3939884736,EMOLS-id_334562227	331.433	SDNZQLKZDQCMNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085812
c1(NC(=O)CC2(CCOCC2)n2cccc2)sc2c(CCC2)n1	PC-id_91641284,STOCK7S-51432,MCULE-2117257284,EMOLS-id_50233585,EMOLS-id_54878346	331.433	ZECIBKMYOCKIJZ-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-085813
c1(NC(=O)CCCc2ccc(cc2)OC)n(C)nc2CSCc12	MCULE-4903180840,EMOLS-id_316264270,ZINC22_1506420416	331.433	DQAXIPLAWIYKEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085814
c1(NC(=O)CCCOc2ccccc2C)n(C)nc2CSCc12	EMOLS-id_334563261,MCULE-9870178860	331.433	VKGWZBBPRQCKKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085815
c1(NC(=O)CCCOc2ccc(cc2)C)n(C)nc2CSCc12	EMOLS-id_334565308,MCULE-7783109491	331.433	GTGMFVAEXBHXTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085816
c1(NC(=O)COc2ccccc2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426345,PC-id_5191080,MCULE-2227652355,CoCoCo_4972713,ZINC22_4077269	331.433	BQHBGJROOMILHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085817
c1(NC(=O)COc2ccc(cc2)CCC)n(C)nc2CSCc12	MCULE-7529181760,EMOLS-id_334563772	331.433	RRPWPIXSNXQIDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085818
c1(NC(=O)COc2c(C)ccc(C)c2C)n(C)nc2CSCc12	EMOLS-id_334564284,MCULE-8587996107	331.433	XSNRDEQLEPPSKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085819
Cc1ccccc1C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188537	331.433	LKURJUIATXYMMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085820
Cc1ccc(cc1)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100204963	331.433	IBUZHGZMTMAVNZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085821
Cc1ccccc1C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100190652	331.433	GHVJCZWUPXUHTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085822
Cc1cccc(c1)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240093	331.433	QDELUUDBLSAGNS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085823
Cc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)C[S@@](=O)C2	CoCoCo_4985207,ZINC22_4106016,PC-id_11863846	331.433	KWYQVVSEHQCCIW-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085824
Cc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)C[S@](=O)C2	PC-id_11877700,ZINC22_2724950,CoCoCo_4985208	331.433	KWYQVVSEHQCCIW-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085825
CC1CC(CN1S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_100174349	331.433	VIZPPMBGMOVTMX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085826
CC1C(CCN1S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_100237972	331.433	OLDIOORSUSYLPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085827
Cc1cc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)no1	MCULE-3087275549,ZINC22_71924645,PC-id_56810131,EMOLS-id_36907234	331.433	DPWBLLHSCKOGRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085828
Cc1cc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)on1	ZINC22_44890381,EMOLS-id_31860119,PC-id_45799772,MCULE-3208079058	331.433	KNIUFMFCIHSXSM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085829
CC1CC(N(C1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_98568936	331.433	YQGIBRSMZUSILJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085830
Cc1ccsc1[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1O	ZINC22_210277303	331.433	LULPCUFTLNWTDK-JSGCOSHPSA-N	00000010100110000001100010000000000000000000000000000000	25-01-085831
Cc1cn(C)c([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	ZINC22_257276549	331.433	NUFZJNHIQLUICN-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085832
Cc1cn(C)c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	ZINC22_257276550	331.433	NUFZJNHIQLUICN-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085833
Cc1cn(C)c(n1)C1CN(CCO1)C(=O)c1cc2CCCc2s1	PC-id_110105148,BDE-32073147,EMOLS-id_239469,MCULE-4838095504	331.433	NUFZJNHIQLUICN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085834
Cc1c[nH]c(n1)C1(CCOCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319107257	331.433	HNWQQMRJHHDIRW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085835
Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2cc3CCCc3s2)[C@H]1O	PC-id_110127231,MCULE-2006630530,EMOLS-id_48406795,BDE-33872055,ZINC22_257308920	331.433	TYTBXCCBRTYKAQ-XJKCOSOUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085836
Cc1onc(n1)C1(CCCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_98327715	331.433	NZDCJAYLIKZHSO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085837
CC(c1onc(n1)C1CCCN1C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_42908197,MCULE-9330282430,PC-id_72123710	331.433	IFRNUMNLPAKGMJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085838
CCCc1c(C(=O)Nc2nc3c(s2)CCC3)[nH]c(C)c1C(=O)C	MCULE-6505728065,PC-id_75416080,EMOLS-id_48218408,ZINC22_95953183	331.433	SZZGSDXKPWDTBZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-085839
CC(C)[C@]1(C)N(Cc2sc(N)nc12)C(=O)OCc1ccccc1	MCULE-2889764056,PC-id_117688936,SCHEMBL16224773,EMOLS-id_56974253	331.433	PXNAWUUQRXGWTK-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085840
CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1	PC-id_95779544,ZINC22_72299363	331.433	IFRNUMNLPAKGMJ-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085841
CC(C)c1nc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1	ZINC22_72299364,PC-id_95779545	331.433	IFRNUMNLPAKGMJ-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085842
CC(C)(C)n1nc2c(c1NC(=O)Cc1ccccc1)C[S@](=O)C2	ZINC22_5857834,PC-id_40566464,CoCoCo_4985139	331.433	DSOQUFUEODTRAW-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085843
CC(C)(C)n1nc2c(c1NC(=O)Cc1ccccc1)C[S@@](=O)C2	ZINC22_5857861,CoCoCo_4985140,PC-id_40566467	331.433	DSOQUFUEODTRAW-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085844
C[C@@H](c1ccc([S@@](=O)C)cc1)N(C)C(=O)c1n[nH]c2c1CCC2	PC-id_96561845,ZINC22_80012266	331.433	LOMRQKLWEBJQBP-RULNZOCKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085845
C[C@H](c1ccc([S@](=O)C)cc1)N(C)C(=O)c1n[nH]c2c1CCC2	PC-id_96561848,ZINC22_80012280	331.433	LOMRQKLWEBJQBP-QVQLBTGDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085846
C[C@H](c1ccc([S@@](=O)C)cc1)N(C)C(=O)c1n[nH]c2c1CCC2	ZINC22_80012272,PC-id_96561846	331.433	LOMRQKLWEBJQBP-BGJPBQGDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085847
C[C@@H](c1ccc([S@](=O)C)cc1)N(C)C(=O)c1n[nH]c2c1CCC2	ZINC22_80012275,PC-id_96561847	331.433	LOMRQKLWEBJQBP-BSNNYGBQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085848
Cn1ccnc1[C@H]1C[C@H](NC(=O)c2cc3c(s2)CCC3)CCO1	ZINC22_333777817	331.433	UMDPBFBGRIIQQN-CHWSQXEVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085849
Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2cc3c(s2)CCC3)CCO1	ZINC22_333777819	331.433	UMDPBFBGRIIQQN-OLZOCXBDSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085850
Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2cc3c(s2)CCC3)CCO1	ZINC22_333777820	331.433	UMDPBFBGRIIQQN-QWHCGFSZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085851
Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2cc3c(s2)CCC3)CCO1	ZINC22_333777822	331.433	UMDPBFBGRIIQQN-STQMWFEESA-N	00000010100010000001100010000000000000000000000000000000	25-01-085852
Cn1ncc2c1CN(C2)S(=O)(=O)CC1CC1Cc1ccccc1	EMOLS-id_319629023	331.433	VSDAMBLCDGNKMP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-085853
CN(C(=O)c1n[nH]c2c1CCC2)C(c1ccc(cc1)S(=O)C)C	EMOLS-id_50330598,PC-id_102554882,MCULE-3291822468	331.433	LOMRQKLWEBJQBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085854
COc1ccccc1C(=O)Nc1c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0047,PC-id_3495488	331.433	FHTWEJPBTIUHMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085855
COc1ccc(cc1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0055,PC-id_5178105,CoCoCo_4972592	331.433	BYQVORGODJKRKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085856
COc1ccc(cn1)[C@@H]1OCC[C@H]1NCc1sc2c(n1)CCC2	EMOLS-id_319139881	331.433	PBUFNMAQXXCCMX-DYVFJYSZSA-N	00000010100000101001100010000000000000000000000000000000	25-01-085857
N1(CCCC1)C(=O)CCCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328146569,MCULE-6137105901	331.433	RJLKDTZCCAPGHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085858
N1(CCCCC1)C(=O)CCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328199288,MCULE-2172837806	331.433	VCXMTJGVLBASKU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085859
N#Cc1c(NC(=O)C(N2CCC(=O)C(C2)C)C)sc2c1CCC2	EMOLS-id_97959754	331.433	ATSNEPNXKROBAN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085860
O(c1c(OC)cc(C[NH2+]C(c2n3CCCc3nn2)C)cc1)C(C)C	PC-id_75889718	331.433	MYRZNYLQWBPCQC-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-085861
O(c1c(OC)cc(C[NH2+][C@H](c2n3CCCc3nn2)C)cc1)C(C)C	PC-id_52640823	331.433	MYRZNYLQWBPCQC-ZDUSSCGKSA-O	00000010100000110001000010000000000000000000000000000000	25-01-085862
O(c1c(OC)cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc1)C(C)C	PC-id_52640825	331.433	MYRZNYLQWBPCQC-CYBMUJFWSA-O	00000010100000110001000010000000000000000000000000000000	25-01-085863
O=C(c1ccc(o1)CN1CCCCC1)Nc1sc2c(n1)CCC2	MCULE-8710402237,EMOLS-id_320269657	331.433	QZIDBESLMOXPAJ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-085864
O=C(c1ccoc1)N1CCC(CC1)NCc1sc2c(n1)CCC2	MCULE-7449017510,EMOLS-id_318627964	331.433	IBOSOPSVLLQRMH-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-085865
O=C(c1cnc2n1CCC2)N1CCCC1CC(c1cccs1)O	EMOLS-id_318616956	331.433	MYTZEZPSAXDHEV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-085866
O=C(c1n[nH]c2c1CCC2)N1CCC([C@H](O)c2cccs2)CC1	ZINC22_1506421179	331.433	GFFRKJVAQDAQQT-INIZCTEOSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085867
O=C(c1n[nH]c2c1CCC2)N1CCC([C@@H](O)c2cccs2)CC1	ZINC22_1506421181	331.433	GFFRKJVAQDAQQT-MRXNPFEDSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085868
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)(O)c1ccnn1C	EMOLS-id_319252033	331.433	RXSOSUNVWQVWNT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085869
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)(O)c1nccn1C	EMOLS-id_319801945	331.433	KSLSTMAFYYOQKU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085870
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)Cc1ncoc1C	EMOLS-id_318953730	331.433	QHCFBYUYAPFLCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085871
O=C(c1sc2c(c1)CCC2)NC1CCOC(C1)c1ccnn1C	EMOLS-id_101552021	331.433	KLPBZBUQQOYRLU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085872
O=C(c1sc2c(c1)CCC2)NC1CCOC(C1)c1nccn1C	EMOLS-id_101504769,MCULE-5308685902	331.433	UMDPBFBGRIIQQN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085873
O=C(c1sc2c(c1)CCC2)Nc1cn(nc1C)C1CCOCC1	EMOLS-id_319162938	331.433	SPYOYXXHIKICBO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085874
OCCC(c1ccccc1)NCC(=O)Nc1sc2c(n1)CCC2	PC-id_109968837	331.433	SKDJBGZIAOXGEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085875
OCCCN(c1ccccc1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_112023636	331.433	SBTUIQUZSQAVRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085876
OCCn1ncc2c1CN(C2)C(=O)[C@@H](Sc1ccc(cc1)C)C	PC-id_95223726	331.433	OCLNAYBGBDSHDP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085877
OCCn1ncc2c1CN(C2)C(=O)[C@H](Sc1ccc(cc1)C)C	PC-id_95223727	331.433	OCLNAYBGBDSHDP-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085878
OCCN(Cc1ccccc1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111434302	331.433	VDUSYWSIXWFQEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085879
OCCNC(=O)c1cccc(c1C)NCc1sc2c(n1)CCC2	PC-id_109948545	331.433	CIGAWCJLIBLBFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085880
OCCNC(=O)c1cccc(c1)NC(c1sc2c(n1)CCC2)C	PC-id_110017340	331.433	QJAHTAOINUAEBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085881
O=C(N1Cc2c(C1)nc(o2)CN1CCCCC1)Cc1ccsc1	PC-id_97520346	331.433	SPKYEOUYPDKNHK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085882
O=S1(=Nc2cccc(c2)OCc2nn3c(c2)CCC3)CCCC1	EMOLS-id_278702953	331.433	JPRYMBYXWXLNNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085883
O=S1(=Nc2ccc(cc2)OCc2nn3c(c2)CCC3)CCCC1	EMOLS-id_316541736	331.433	ZKLIGACHJPLYKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085884
O=S(=O)(c1cnc2n1CCC2)N1CCCCC1c1ccccc1	EMOLS-id_99596541	331.433	MXOHNTIUXADNST-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-085885
s1c(C2C(O)CN(CC2)C(=O)c2n[nH]c3c2CCC3)c(cc1)C	PC-id_75593875	331.433	LULPCUFTLNWTDK-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-085886
[S@@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1cc(ccc1)C	PC-id_11883625	331.433	VGZLFQUVWWKEPH-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085887
[S@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1cc(ccc1)C	PC-id_11883626	331.433	VGZLFQUVWWKEPH-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085888
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1cc(ccc1)C	PC-id_4083778	331.433	VGZLFQUVWWKEPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085889
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1ccc(cc1)C	PC-id_4693762	331.433	JLMNKNXOIIWMSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085890
S(CCC(=O)Nc1n(nc2c1CCC2)C)c1ccc(OC)cc1	PC-id_45536349	331.433	GTNRVLMZIKCZGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085891
S(C(C(=O)N1Cc2n(ncc2C1)CCO)C)c1ccc(cc1)C	PC-id_56756588	331.433	OCLNAYBGBDSHDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085892
c1(c[nH]nc1C1CCCCC1)C(=O)NCc1cn2c(SCC2)n1	ZINC22_91327068,MCULE-1293012952,EMOLS-id_44703623,PC-id_70714956	331.436	HMURJCVIYSDMJR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085893
c1(N(C)C)ncc(c(C)n1)C(=O)NCCc1sc2c(CCC2)n1	EMOLS-id_46641798,PC-id_72920996,ZINC22_95384672,MCULE-6369365403	331.436	JAYRLAHMORJVFH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085894
c
(=NC(=O)CCCCCNc2ncccn2)/sc2c(CCC2)[nH]1	ZINC22_95479225,MCULE-1700369973,EMOLS-id_44756164,PC-id_71708468,EMOLS-id_49408758,STOCK7S-38038	331.436	YXQDLOVOXRIJIS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085895
c1(SC(C)C(=O)NCc2c3CCCc3[nH]n2)nc(C)cc(C)n1	MCULE-2627958168,EMOLS-id_68939390,PC-id_118794762	331.436	GMYJHOVUBJKYKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085896
Cc1cc(C)nc(S[C@H](C)C(=O)NCc2n[nH]c3c2CCC3)n1	ZINC22_299791755	331.436	GMYJHOVUBJKYKM-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-085897
Cc1cc(C)nc(S[C@@H](C)C(=O)NCc2n[nH]c3c2CCC3)n1	ZINC22_299791760	331.436	GMYJHOVUBJKYKM-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-085898
CC1=C([S]=C(N1)n1cccc1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_320515379	331.436	QKOIJJLXKBWAHZ-UHFFFAOYSA-N	00000011110000000001100010000000000000000000000000000000	25-01-085899
Cc1ncc(CN2CCN(C(=O)c3cc4n(n3)CCC4)CC2)s1	ZINC22_333530276,MCULE-5092424063,EMOLS-id_101229193	331.436	ITYHJNNLUBSMBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085900
CCc1cnc(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)s1	ZINC22_562678237,PC-id_136545849,EMOLS-id_316928084,MCULE-4316115130	331.436	RQCQJOBKSUVGCP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085901
C[C@H](CNC(=O)NCc1nnc2n1CCC2)Sc1ccccc1	PC-id_96517544,ZINC22_78933156	331.436	GOKMSGAMBVVIKL-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085902
C[C@@H](CNC(=O)NCc1nnc2n1CCC2)Sc1ccccc1	ZINC22_78933147,PC-id_96517543	331.436	GOKMSGAMBVVIKL-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085903
CC(Sc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319519626	331.436	HDZALQURSMRGKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085904
CCSCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319074512	331.436	HQTJLRXJSAYTFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085905
CCSCc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319872585	331.436	DUJVMFZKRGSGLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085906
Cn1cc([C@@H]2N=C(O)CC[C@H]2NCc2nc3c(s2)CCC3)cn1	MCULE-7123991456,ZINC22_328628203,EMOLS-id_316027552	331.436	GZEGAYOEVBGYDT-WBMJQRKESA-N	00000010100011000001100010000000000000000000000000000000	25-01-085907
CN1CCN(CC1)C(=O)c1n[nH]c2c1CN(C2)Cc1cscc1	PC-id_97389047	331.436	QTTUIATUXCLGFU-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085908
CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2cccs2)C3)CC1	ZINC22_96066705,PC-id_97389045	331.436	WAGQPUVEDGSFOK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-085909
Cn1cc(NC(=O)Nc2nc3c(s2)CCC3(C)C)c(C2CC2)n1	MCULE-5765025954,ZINC22_333544110,EMOLS-id_102010689	331.436	OHQMBDLXRBRPPT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-085910
Cn1ncc(c1)N1C(C)CC(C1=O)NCc1sc2c(n1)CCC2	EMOLS-id_318279354,MCULE-6834067642	331.436	ODWZAVGZSWIOIB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085911
COc1cncc(N2CCN(Cc3nc4c(s3)CCC4)CC2)n1	ZINC22_95986760,EMOLS-id_48812905,MCULE-6798177879,PC-id_75471921	331.436	WHOYWWUUJQFNGL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-085912
CSc1ccc(CNC(=O)NCCc2nnc3n2CCC3)cc1	MCULE-6074583230,PC-id_71922281,EMOLS-id_45663933,ZINC22_86371368	331.436	MFXIJGJITBCMST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085913
CSCCc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319217360	331.436	FZDLIUHDTXSPHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085914
CSCCc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319357594	331.436	JRBPVSVUUUGDFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085915
n12nc(nc1sc(=Cc1ccsc1)c2=O)Cc1cccs1	MCULE-6457820115	331.436	DWLWEPBCMDIZGS-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-085916
N1(CCCCC1c1sccn1)C(=O)NCc1c2CCCc2[nH]n1	PC-id_121500510,EMOLS-id_177407310,MCULE-5974568766	331.436	BGNBVDFUNBCLPP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085917
O=c1n2nc(Cc3cccs3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324836082	331.436	DWLWEPBCMDIZGS-WDZFZDKYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-085918
Oc1nccnc1N1CCC[C@@H](NCc2nc3c(s2)CCC3)C1	ZINC22_328646150	331.436	SKTYDTOMBXFEPP-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-085919
Oc1nccnc1N1CCC[C@H](NCc2nc3c(s2)CCC3)C1	ZINC22_328646151	331.436	SKTYDTOMBXFEPP-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-085920
Oc1nc(N)nc(c1)N1CCC(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_319175467	331.436	NWQWGUZEPSQKQL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-085921
O=c1[nH]ccnc1N1CCCC(C1)NCc1sc2c(n1)CCC2	EMOLS-id_316065311,MCULE-8125163097	331.436	SKTYDTOMBXFEPP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-085922
O=C(c1ccn(n1)C1CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99832420	331.436	HIWSHLYBDPJNPC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085923
O=C(c1ccnn1C1CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99840224	331.436	QPHZPONHZDSFFX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085924
O=C(c1cnc(s1)CN1CCCC1)NCc1[nH]nc2c1CCC2	PC-id_28071604,CoCoCo_1133203,CoCoCo_1133202	331.436	VSYHWTHLRSYSOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085925
O=C(c1csc(n1)N1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_316685972	331.436	MAOHBTUQBITEGB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085926
O=C(c1csc(n1)N1CCCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_257963041,MCULE-2474506749	331.436	KCHUYLSABWMWDX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085927
O=C(c1csc(n1)N1CCCCC1)NCc1cnc2n1CCC2	MCULE-5141549466,EMOLS-id_320113397	331.436	SOXQJNSXUYCJMZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085928
O=C(c1n[nH]c2c1CCC2)N1CCCN(Cc2cscn2)CC1	EMOLS-id_36664752,ZINC22_69843564,PC-id_53610638,MCULE-5698776170	331.436	LINZHDCWRUPQGT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-085929
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)c1sc(c(n1)C)C	EMOLS-id_110308326	331.436	YZBQLRGKHMALLK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085930
O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)Nc1nc2c(s1)CCC2	ZINC22_72270748,PC-id_95760393	331.436	VRFKQDBSAANYPT-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085931
O=C(CN1CCC[C@H](c2ccn[nH]2)C1)Nc1nc2c(s1)CCC2	ZINC22_72270749,PC-id_95760394	331.436	VRFKQDBSAANYPT-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-085932
O=C(N1Cc2c(C1)cn[nH]2)Cc1csc(n1)NC1(C)CCCC1	EMOLS-id_319003298	331.436	CYJVNKHICDOQGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085933
O=C(N1CCCC1c1cscc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318755627	331.436	PDXLSKNFKHEXHJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-085934
O=C(N1CCC(C1)n1cccn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010686	331.436	OEJGPRMRAUGKRQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085935
O=C(N1CCn2c1ccn2)Cc1csc(n1)NC1(C)CCCC1	EMOLS-id_319043642	331.436	OLQYORYTVOGWJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085936
O=C(N1CCn2c1ncc2)Cc1csc(n1)NC1(C)CCCC1	EMOLS-id_319104378	331.436	LPQGNWTZUVYLFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085937
O=C(N1CCN(CC1)c1cccs1)NC1CC(n2c1ncc2)C	EMOLS-id_101418669	331.436	QAVMMAGIAPYITL-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-085938
O=C(NC1CC(n2c1ncc2)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010815	331.436	AKWNJRKZHHMJLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085939
O=C(Nc1cc(n(n1)C)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010665	331.436	IJBLYCHOMIENFF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-085940
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1cc(C)nc(c1)N	EMOLS-id_319619224	331.436	INZVSQZHYXWIQX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-085941
O=C(Nc1sc2c(n1)CCC2)CN1CCCC(C1)c1[nH]ncc1	EMOLS-id_42864614,PC-id_72153907,MCULE-5232364842	331.436	VRFKQDBSAANYPT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085942
O=C(NCc1nnc2n1CCC2)NCC(Sc1ccccc1)C	EMOLS-id_43653311,PC-id_71870658,MCULE-8807053473	331.436	GOKMSGAMBVVIKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-085943
O=C(NCc1n[nH]c2c1CCC2)N1CCCC[C@H]1c1nccs1	ZINC22_426475306	331.436	BGNBVDFUNBCLPP-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085944
O=C(NCc1n[nH]c2c1CCC2)N1CCCC[C@@H]1c1nccs1	ZINC22_426475307	331.436	BGNBVDFUNBCLPP-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085945
O=C(NCCc1nnc2n1CCC2)N(Cc1cccs1)C1CC1	PC-id_71972709,EMOLS-id_49103218,ZINC22_96461475,MCULE-8976253886	331.436	GVXVETMGJQYAIR-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-085946
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)CCC(C)(C)C	PC-id_103520928	331.451	ZWGUSBHIIYDIDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-085947
CCC(=O)NC1Cc2c(C1)cc([nH]2)OC1CCN(CC1)C1CCC1	PC-id_141320959	331.452	LLHNNDKSEIWRSD-UHFFFAOYSA-N	00001010100010000000100010000000000000000000000000000000	25-01-085948
CCC(=O)NC1CCc2c1[nH]c(c2)OC1CCN(CC1)C1CCC1	PC-id_141320968	331.452	XEYCIMZKESUOSF-UHFFFAOYSA-N	00001010100010000000100010000000000000000000000000000000	25-01-085949
CSc1cc2n(c1C(=S)c1ccc(cc1)C)CCC2C(=O)O	SCHEMBL10813668,PC-id_20235122	331.452	FGYFPOOVXPFLFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085950
O=C(c1[nH]c2c(c1)CCC2)N1CCC(CC1)(O)CN1CCCCC1	EMOLS-id_318858872	331.452	PVGNYGJCLAJIFJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085951
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1CCOCC1	PC-id_92109912	331.452	IQJKRAGTGFNMRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085952
s1c2c(CCC2)cc1C(=O)NC[C@@H]([NH+]1CCCC1)c1occc1	PC-id_41292809	331.452	LZOVOLPAVZUKQW-CQSZACIVSA-O	00000010101000000000000010000000000000000000000000000000	25-01-085953
s1c2c(CCC2)cc1C(=O)NC[C@H]([NH+]1CCCC1)c1occc1	PC-id_41292811	331.452	LZOVOLPAVZUKQW-AWEZNQCLSA-O	00000010101000000000000010000000000000000000000000000000	25-01-085954
s1c2c(CCC2)cc1C(=O)NCC([NH+]1CCCC1)c1occc1	PC-id_74756284	331.452	LZOVOLPAVZUKQW-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-085955
s1c2CCCc2c(c1N=Cc1ccc(SC)cc1)C(=O)OC	PC-id_24070070	331.452	QLORHYFPSGWBMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-085956
CSC1(CCOCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100208926	331.454	SOBOFVLOAIHOSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085957
c1(NC(=O)c2c(C)nc(C(C)C)s2)sc2c(CCC2)c1C#N	MCULE-6074521467,EMOLS-id_322836409	331.456	LKTHUZUATMSYIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085958
CCC1CCC(N(C(=O)NCc2nnc3n2CCC3)C2CC2)CC1	ZINC22_95419062,PC-id_75382323,MCULE-8584688031,EMOLS-id_48265367	331.456	DAFRKSAVNOPQJR-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085959
C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccs1	PC-id_25982828,ZINC22_14184884,CoCoCo_3597559	331.456	FKXVUXRKFZULIB-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085960
C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccs1	PC-id_25982830,ZINC22_14184885,CoCoCo_3597560	331.456	FKXVUXRKFZULIB-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-085961
CN1CCC(CC1)C1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418786	331.456	PHEBNZZXTKOBRX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085962
CN1CCN(CC1)C(=O)c1nn(c2c1CN(C2)CC1CCCC1)C	PC-id_97389072	331.456	PWAPEDFOIBIOCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085963
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1	ZINC22_7847048,CoCoCo_3581024,CoCoCo_3581023,PC-id_8966106,MCULE-9963626804,EMOLS-id_3678657	331.456	AYSVRKRUXICGCP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085964
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccsc1	EMOLS-id_3693559,CoCoCo_3984882,ZINC22_7926962,CoCoCo_3984883,MCULE-6841788835,PC-id_9054605	331.456	YRBPVPIHCHYAOD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085965
CSc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1	EMOLS-id_324861664	331.456	OHRIMJVTPMNAEU-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-085966
CSc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324851428	331.456	HOMOQYLPXDPYBZ-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085967
n12c(=O)c(=Cc3ccc(cc3)SC)sc1nc(C(C)(C)C)n2	MCULE-1862988692	331.456	HOMOQYLPXDPYBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085968
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)CC(C)C	MCULE-6044249143	331.456	OHRIMJVTPMNAEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-085969
N#Cc1c(NC(=O)CNC(c2cccs2)C)sc2c1CCC2	EMOLS-id_13517288,PC-id_17463405,MCULE-9848990414	331.456	FKXVUXRKFZULIB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-085970
O=C(c1cnc2n1CCC2)Nc1cccc(c1)C1SCCS1	EMOLS-id_318701013	331.456	AUAKMYOZUHJMFX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-085971
O=C(Cc1csc2c1cc(s2)C)NCc1cnc2n1CCC2	EMOLS-id_318843030	331.456	HBNRXIBFDIRRHB-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-085972
O=C(Cc1csc2c1cc(s2)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318777439	331.456	GEQFAXCSXFHLBB-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-085973
O=C(Cc1csc2c1sc(c2)C)NCc1cnc2n1CCC2	EMOLS-id_319644212	331.456	BABDOMFZAHNYBG-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-085974
O=C(Cc1csc2c1sc(c2)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319585475	331.456	HLFIJZHRCOYXMX-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-085975
O=C(N1CCC2N(C(C1)CC2)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101579130	331.456	LJBYJDDVLYSNBP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-085976
O=C(N1CCCC1CN1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101579328	331.456	LHHWVUHEXUBHHQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085977
O=C(N1CCCC1)N1CCCC(C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_101846650	331.456	DAUAZTKRKDNABI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-085978
O=C(N1CCCCC1C1CCCNC1)NC1CC(n2c1ncc2)C	EMOLS-id_101899702	331.456	BWTIOPMSLMEILW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085979
O=C(N1CCC(CC1)C1NCC1(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101899693	331.456	MVZDMBUHWCMLCB-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-085980
O=C(N1CCC(CC1)N1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101581116	331.456	DNUSRISTYCZUDY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085981
O=C(N1CCCC(CC1)N1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101579187	331.456	OKYLAZQEJXEDLS-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-085982
O=C(N1CCCN(CC1)C1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101579190	331.456	RIPKHZAZOQGFHE-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-085983
O=C(N1CCN(CC1)C1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101577090	331.456	OQJSGYNUPPCQRK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085984
O=C(NC1CC(n2c1ncc2)C)NC1CCN(CC1)C1CCCC1	EMOLS-id_101383582	331.456	MPQDISYTLDLKBR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085985
O=C(NC(c1n2CCCc2nn1)C(C)C)NCCC1=CCCCC1	PC-id_60273778	331.456	HDJZMADBYSSNHX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-085986
O=C(NCCc1nnc2n1CCC2)N(CC1CC1)C1CCCCC1	EMOLS-id_49103220,MCULE-3415356775,ZINC22_86430000,PC-id_71972708	331.456	VBSMBUWEUAKBQW-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-085987
CC(c1nnc2n1CCC2)NCc1c(nn(c1N(C)C)C)C(C)C	MCULE-3532519938,EMOLS-id_33322343,PC-id_51104945	331.459	FKUHSAXRJWLLMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085988
CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)c1nnc2n1CCC2	PC-id_94822597,ZINC22_58393938	331.459	FKUHSAXRJWLLMQ-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085989
CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)c1nnc2n1CCC2	ZINC22_58393937,PC-id_94822596	331.459	FKUHSAXRJWLLMQ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-085990
CCNC(=NCc1nnc2n1CCC2)NC1CN(CC1C)C1CC1	PC-id_120063461	331.459	WVEBHYRCTMDRQO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-085991
CN=C(N1CCC(C1)N1CCCCC1)NCc1nnc2n1CCC2	PC-id_119143013	331.459	LWMWTINWKIWAIT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-085992
CN=C(NC1CCN(C1)C1CCCC1)NCc1nnc2n1CCC2	PC-id_111918229	331.459	CCVWCFJTUSGYGP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-085993
N#Cc1c(NC(=O)CCN(C2CCC2)C(C)C)sc2c1CCC2	EMOLS-id_99576274	331.476	COFZODULTPTFCV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-085994
N#Cc1c(NC(=O)CCNC2CCCCC2C)sc2c1CCC2	EMOLS-id_101743288	331.476	ZLRBDVZZNCMFFZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085995
N#Cc1c(NC(=O)CCN(C2CCCCC2)C)sc2c1CCC2	PC-id_51302538,EMOLS-id_98789057	331.476	AWAYPSHWAARCCI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085996
N#Cc1c(NC(=O)C(N2CCC(CC2)(C)C)C)sc2c1CCC2	EMOLS-id_110361153	331.476	CAQVKCORQDDQSY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085997
N#Cc1c(NC(=O)C(N2CCCC(C2)(C)C)C)sc2c1CCC2	EMOLS-id_110916399	331.476	IWIYAXMUZYAKAP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085998
N#Cc1c(NC(=O)C(N2CC(C)CC(C2)C)C)sc2c1CCC2	EMOLS-id_110847023	331.476	PBABRECFTAHLHH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-085999
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CC(C1)C)C)C#N	PC-id_24588625	331.476	OZDAFRJXKRUTNM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086000
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)CC)C#N	PC-id_51302528	331.476	FSSIOTLFIKLKAF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086001
s1c2c(CCC2)c(c1NC(=O)CCN1CCCCCCC1)C#N	PC-id_24588778	331.476	KWSRLTOGGAOMGN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-086002
s1c2c(CCC2)c(c1NC(=O)CCN1C[C@@H](C[C@H](C1)C)C)C#N	PC-id_30100086	331.476	OZDAFRJXKRUTNM-CHWSQXEVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086003
s1c2c(CCC2)c(c1NC(=O)CCN1C[C@H](C[C@H](C1)C)C)C#N	PC-id_30100090	331.476	OZDAFRJXKRUTNM-BETUJISGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086004
s1c2c(CCC2)c(c1NC(=O)CCN1C[C@H](C[C@@H](C1)C)C)C#N	PC-id_30100094	331.476	OZDAFRJXKRUTNM-STQMWFEESA-N	00000010100010000000000010000000000000000000000000000000	25-01-086005
s1c2c(CCC2)c(c1NC(=O)CCN1[C@@H](CCCC1)CC)C#N	PC-id_52546295	331.476	FSSIOTLFIKLKAF-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086006
s1c2c(CCC2)c(c1NC(=O)CCN1[C@H](CCCC1)CC)C#N	PC-id_52546297	331.476	FSSIOTLFIKLKAF-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086007
s1c2c(CCC2)c(c1NC(=O)CN(C1CCCCCC1)C)C#N	PC-id_16577790	331.476	GDGQPIPUXFCIRE-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-086008
c1(CN(C)Cc2cnc(nc2)SC(C)CC)c2CCCc2[nH]n1	PC-id_77095623,EMOLS-id_49896075,MCULE-2011547271	331.479	KZKDQXVGMQSXJT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086009
CC1CC(c2n1ncn2)NCCc1scc(n1)C1CCCCC1	EMOLS-id_279083842	331.479	QMFHGZDYKFMHBY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086010
Cc1ncsc1CN(Cc1nn2c(c1)CCC2)CC1CNCC1	EMOLS-id_318016160	331.479	ITJPNQXGIMZZEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086011
CC[C@@H](C)Sc1ncc(CN(C)Cc2n[nH]c3c2CCC3)cn1	ZINC22_216321409,PC-id_99951966	331.479	KZKDQXVGMQSXJT-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086012
CC[C@H](C)Sc1ncc(CN(C)Cc2n[nH]c3c2CCC3)cn1	ZINC22_216321456,PC-id_99951969	331.479	KZKDQXVGMQSXJT-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086013
c1(C(=O)NC2CCCCCCCCCCC2)c2CCCc2n(C)n1	MCULE-2130537907,PC-id_84466335,EMOLS-id_320481806	331.496	ZXTMJDLPDYYYIJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-086014
s1c2c(CCC2)cc1CNC(c1sccc1)c1sccc1	PC-id_61207406	331.519	CTUFMDMRFDELRR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-086015
s1c2CCCc2cc1CNCc1scc(c1)c1sccc1	PC-id_61207591	331.519	QDPSQDZOGSRQLC-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-086016
CC(C1CN(C1)C(C)C)CCC(C1CCn2c1cc(n2)C(C)C)C	SCHEMBL20903970,PC-id_138548694	331.539	UDZIFNULSMXVBV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-086017
Clc1cc(Cl)c(c(c1)Cl)C(=O)c1sc2c(c1)CCC2	PC-id_105349136	331.645	FNCHBNOBGICBHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086018
ClC/C=CC(=C/C)C1CC(=O)c2c1cc(s2)Br	PC-id_144365784	331.656	SNOLFYBUBXZECL-MARJDINYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086019
Cn1nc(c(c1Cl)C=C1C(C)n2c(C1=O)ncn2)C(F)(F)F	EMOLS-id_316552746	331.681	DITUUZXZRVXVEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086020
ClC(c1sc2c(CCC2)c1)Cc1cc(Cl)c(Cl)cc1	PC-id_55223909	331.688	GYFFNEPJQZFZJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086021
FC(F)(F)c1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324907527	331.701	QHIRDEIWXKFXCP-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-086022
FC(F)(F)c1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324910596	331.701	HMDTVSOTOOFWDL-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-086023
n12c(=O)c(=Cc3ccccc3Cl)sc1nc(C(F)(F)F)n2	MCULE-7980488996	331.701	QHIRDEIWXKFXCP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086024
n12c(=O)c(=Cc3ccc(Cl)cc3)sc1nc(C(F)(F)F)n2	MCULE-3109822508	331.701	HMDTVSOTOOFWDL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086025
Clc1ccc(c(c1)NCc1cnc2n1CCC2)OC(F)(F)F	EMOLS-id_318392833	331.721	TWZNBMUHXSEHTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086026
Clc1cc(cnc1NC(c1nnc2n1CCC2)C)C(F)(F)F	EMOLS-id_318325843,MCULE-3116759603	331.724	KZZDHTFHWSZSLV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086027
FC(F)(F)c1cnc(NCCc2nnc3n2CCC3)c(Cl)c1	EMOLS-id_43641132,ZINC22_78389591,MCULE-1618989494,PC-id_71900134	331.724	YGAVIVJATOSNTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086028
Clc1nc(ccc1C(=O)c1sc2c(c1)CCC2)C(F)(F)F	PC-id_106971933	331.741	WQJPRIOQOKFQFM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086029
Clc1c(c2n(CCC2C(=O)c2ccc(OC)cc2)c1C=O)C=O	PC-id_56935318	331.75	NSDVOFGRKQWMCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086030
Cc1nn2c(nnc2/c/1=Cc1cc(c(c(c1)Cl)O)C(=O)NC)C	PC-id_136034566	331.757	FFTFFYMEHBMPDE-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086031
Cc1nn2c(nnc2c1=Cc1cc(c(c(c1)Cl)O)C(=O)NC)C	PC-id_136494313	331.757	FFTFFYMEHBMPDE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086032
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCl)C(=O)OC	EMOLS-id_1859345,PC-id_2789250,MCULE-4501829958	331.772	SQKHIHFBQDCIFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086033
ClCC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC	PC-id_7081669,CoCoCo_5840082	331.772	SQKHIHFBQDCIFM-ZCFIWIBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086034
ClCC(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC	PC-id_7081670,CoCoCo_5840083	331.772	SQKHIHFBQDCIFM-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-086035
c1(C#N)c2CCCc2sc1N=Cc1ccc(c(c1)N(=O)=O)Cl	MCULE-9298362847,PC-id_904192	331.777	MFCLCPANPYERRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086036
N#Cc1c(/N=Cc2ccc(c(c2)[N+](=O)[O-])Cl)sc2c1CCC2	CoCoCo_6899523	331.777	MFCLCPANPYERRS-LSCVHKIXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086037
N#Cc1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2	CoCoCo_6899522,SPECS-id_AG-690/36388011,PC-id_9616120,ZINC22_102064587,EMOLS-id_26774394	331.777	MFCLCPANPYERRS-QGMBQPNBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086038
Clc1sc2CCC(Nc3cc(c(cc3)C)C(F)(F)F)c2c1	PC-id_81246645	331.784	CVRSAJDNLOKPPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086039
Clc1sc2CCC(Nc3c(ccc(c3)C(F)(F)F)C)c2c1	PC-id_81246651	331.784	MKEPSWGNAKPUKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086040
Clc1sc2c(C(NCc3cc(ccc3)C(F)(F)F)CC2)c1	PC-id_81233707	331.784	CVYCJGYWSLKGRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086041
Clc1sc2c(C(NCc3c(cccc3)C(F)(F)F)CC2)c1	PC-id_81246123	331.784	SBMZTJMTWWGQNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086042
Clc1sc2c(C(NCc3ccc(cc3)C(F)(F)F)CC2)c1	PC-id_81246124	331.784	KVXOTGCKQZKFEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086043
CCCc1cc2n(c1C(=O)c1ccccc1Cl)CCC2C(=O)O	SCHEMBL11602494,PC-id_20351674	331.793	MBMNIXIYEOBEHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086044
CCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(cc1)Cl	SCHEMBL7675526,PC-id_53656193	331.793	AQBTUGILUFAUKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086045
CCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)Cl	SCHEMBL11271513,PC-id_20528150	331.793	WEPYQHWLHLVUCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086046
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1Cl)C	PC-id_13486976,SCHEMBL11601579	331.793	MBINNTGVAHBWTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086047
CC(OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)Cl)C	PC-id_13486977,SCHEMBL11603813	331.793	AWLQEDNFEHDUCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086048
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)Cl)C	SCHEMBL11605618,PC-id_13486978	331.793	YELDXXIROBIJRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086049
Clc1c2n(CCC2C(=O)OC)c(c1C)C(=O)c1ccc(cc1)C	SCHEMBL11000940,PC-id_20405081	331.793	CTVJIJJQUHETQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086050
c12CN(Cc1nn(CC1CC1)c2Cl)C(=O)OCc1ccccc1	MCULE-1716666795,EMOLS-id_324343650	331.797	WDOFCLYDGZAWDM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086051
Clc1c(C2OCCN(C2)C(=O)c2n[nH]c3c2CCC3)cccc1	MCULE-3802761107,EMOLS-id_45757722,PC-id_71879288	331.797	QFEFNVGUEQYEAC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086052
Clc1ccc(C2OCCN(C2)C(=O)c2n[nH]c3c2CCC3)cc1	EMOLS-id_45640410,PC-id_71938616,MCULE-5667941046	331.797	XEETWRITXOLPAO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086053
Clc1ccc(cc1)C1(CCC1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_318047876	331.797	CTOZVGOBFGWTDF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086054
Cn1nc2c(c1NC(=O)CCC(=O)c1ccc(Cl)cc1)CCC2	ZINC22_95373504,PC-id_47794674,MCULE-2401997728,EMOLS-id_48222076	331.797	LEMAFQGETLYIBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086055
O=C(c1cnn2c1CCC2)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1	MCULE-7716164930,EMOLS-id_102245163,ZINC22_333424212	331.797	JSDJXKZXOIWHAH-HZPDHXFCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086056
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2ccccc2Cl)C1	PC-id_97079957,ZINC22_89813491	331.797	QFEFNVGUEQYEAC-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086057
O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2ccccc2Cl)C1	ZINC22_89813488,PC-id_97079956	331.797	QFEFNVGUEQYEAC-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086058
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2ccc(Cl)cc2)C1	PC-id_97077988,ZINC22_89783428	331.797	XEETWRITXOLPAO-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086059
O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC22_89783426,PC-id_97077987	331.797	XEETWRITXOLPAO-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086060
O[C@@H]1CCN([C@@H]1c1ccc(cc1)Cl)C(=O)c1nn2c(c1)CCC2	EMOLS-id_102245154	331.797	SCULRIJYKKMLMX-HZPDHXFCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086061
O[C@@H]1CCN([C@@H]1c1ccc(cc1)Cl)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_102238844	331.797	KPFSPVOPJLXREQ-GDBMZVCRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086062
ClC1C=C(S(=O)(=O)Nc2sc3CCCc3n2)C=NC1=O	PC-id_77049616	331.798	JDZGSAUSRGNBRS-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-086063
Clc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c[nH]c1=O	PC-id_64608665	331.798	ZNOMPVTWYTZGLI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086064
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)O	PC-id_118628242,SCHEMBL17397966	331.798	DJXXJPRUYGAYSH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086065
Clc1ccc(C2N(CC2)C(=O)NCc2n3CCCc3nn2)cc1	MCULE-4232267201,EMOLS-id_45762304,PC-id_71870664	331.8	FBARLRWTDFDRHX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086066
Clc1ccc(cc1)N1CCC(C1=O)NC1CC(n2c1ncn2)C	EMOLS-id_318397101,MCULE-3461141756	331.8	TUFCYKRLWRGELI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086067
Clc1ccc(cc1)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319944949,MCULE-2681333758	331.8	YVTJNYWFMWTTGV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086068
Clc1ccnc(c1)N1CCN(CC1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319821295,MCULE-3302495797	331.8	KTFSESQBSSRFEM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-086069
Clc1ccnc(c1)N1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_319443885	331.8	XSDAKNKDGVPRJG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-086070
Clc1ccnc(c1)N1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_319727899	331.8	UTYBSSWNLPLSRC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-086071
O=C1C(CCN1c1ccccc1Cl)NC1CC(n2c1ncn2)C	EMOLS-id_318474775,MCULE-6125778304	331.8	ITDICGYWUINYIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086072
O=C1CCCN1c1ccc(cc1Cl)NC1CC(n2c1ncn2)C	EMOLS-id_318653170,MCULE-8820016079	331.8	VWFBLIVTBBDGTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086073
O=C(C1NCc2c1c[nH]n2)N1CCN(CC1)c1ccccc1Cl	EMOLS-id_319685850	331.8	LWUVUDIYAGMXRN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086074
O=C(C1NCc2c1c[nH]n2)NC1CCN(C1)c1cccc(c1)Cl	EMOLS-id_320127425,MCULE-3429478080	331.8	HNYJQLAZLFNJMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086075
O=C(NCc1nnc2n1CCC2)N1CC[C@H]1c1ccc(Cl)cc1	ZINC22_80612126,PC-id_96566245	331.8	FBARLRWTDFDRHX-ZDUSSCGKSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086076
O=C(NCc1nnc2n1CCC2)N1CC[C@@H]1c1ccc(Cl)cc1	ZINC22_80612128,PC-id_96566246	331.8	FBARLRWTDFDRHX-CYBMUJFWSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086077
O=C(NCc1nnc2n1CCC2)NC1(c2cccc(Cl)c2)CC1	EMOLS-id_48239628,ZINC22_77750723,PC-id_75373157,MCULE-3692192476	331.8	DBAIPDMJBLDDLM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086078
c12CN(Cc1sc(Cl)c2C(=O)OCC)C(=O)OC(C)(C)C	EMOLS-id_331066916,MCULE-3043122826	331.815	URCVVUYJFQDYCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086079
Clc1cc(NCc2sc3CCCc3n2)ccc1n1ncnc1	PC-id_75471294,EMOLS-id_48808873,MCULE-1220772214	331.823	RKIIUQIZDBLLBZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086080
Clc1sc2CCC(Nc3ccc(SC(F)F)cc3)c2c1	PC-id_81252894	331.832	GPCGUQIWVSFQOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086081
Clc1sc2CCC(Nc3c(SC(F)F)cccc3)c2c1	PC-id_81251821	331.832	PRDFIPBYVIDOGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086082
CC(CC(C(=O)N1Cc2c(C1)cnn2C)c1ccc(cc1)Cl)C	EMOLS-id_318150638	331.84	AEVUVQGKNQYILY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086083
Clc1ccccc1C1(CCOCC1)CNC1CCn2c1ncc2	EMOLS-id_318010005,MCULE-8314461446	331.84	DROXUTDGLQBFPM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086084
Clc1ccc(cc1)C1(CCOCC1)CNC1CCn2c1ncc2	EMOLS-id_318362934,MCULE-1376874799	331.84	YWCCEXHDCPCVNZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086085
Clc1cccc(c1)C1(CCOCC1)CNC1CCn2c1ncc2	MCULE-4291194311,EMOLS-id_318013073	331.84	IZDCPMQKJDKLOD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086086
Clc1ccc(cc1)CC1(COCC1)NCc1cnc2n1CCC2	EMOLS-id_318388231	331.84	SAKBRGXHHFNMLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086087
Clc1cccc(c1)CC1(O)CCN(C1)Cc1nn2c(c1)CCC2	EMOLS-id_318088512	331.84	XTPUWMWVGGMJCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086088
Clc1cccc(c1)CC(C(=O)NCc1cnc2n1CCC2)(C)C	EMOLS-id_318971090	331.84	OYXJJEFGXUJHDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086089
Clc1cccc(c1)CC(C(=O)NCc1n[nH]c2c1CCC2)(C)C	MCULE-2418230445,EMOLS-id_320208453	331.84	CXMNXJMYHHSBOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086090
Clc1ccc(cc1)[C@@H]1OCC[C@H]1NC(c1nn2c(c1)CCC2)C	MCULE-1271212777,EMOLS-id_319980667	331.84	JLCHWWKWXYSHJL-YZCZPWFXSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086091
Cc1cc(sc1Cl)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318428	331.841	LSWIFMWPHGUDCP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086092
Cc1cc(sc1Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319857770	331.841	FYZFWOZDOFUPEV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086093
Clc1n(cnc1S(=O)(=O)NCc1sc2c(CCC2)c1)C	PC-id_61215854	331.841	MQLYBNOUSVENOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086094
c1(CN2CCN(CC2)c2c(C)ccc(Cl)c2)nnc2CCCn12	MCULE-1187975455,PC-id_154828914,ZINC22_1888864286,EMOLS-id_324591670	331.843	GSRVQDTXKIAFIQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086095
Clc1ccc(cc1)N1CCC(C1)CNC1CC(n2c1ncn2)C	MCULE-1891615540,EMOLS-id_318737075	331.843	RTKLEBJSJMZUOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086096
Clc1ccccc1N1CCC(C1)CNC1CC(n2c1ncn2)C	MCULE-3707898250,EMOLS-id_318454075	331.843	OEULKTZBCFIIRM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086097
Clc1ccccc1N1CCCC(C1)NC1CC(n2c1ncn2)C	MCULE-6803629688,EMOLS-id_318735718	331.843	CFAJIYXTERALOM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086098
ClCCCSn1nc2c(c1C)CN(C2)C(=O)OC(C)(C)C	PC-id_145135434	331.861	ZMKDJGPBQGDYGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086099
Clc1sc2CCC(Nc3c(c4sccc4)cccc3)c2c1	PC-id_81234953	331.883	VBEZKTZPLJOUPR-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-086100
C[C@@](CCN1CC2=CC(=CN2C1=O)S)(C(=O)O)S(=O)(=O)C	PC-id_146745378	332.05	RLXANVCJIOERIM-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086101
CSCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)C3=CN=CC=C3	PC-id_154794297	332.065	PVLJTIHEGBRXAE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086102
C1CC2=C(C1)SC(=C2C(=O)N3CC(C3)O)NC(=O)C4=CC=CO4	MCULE-7681112930,PC-id_154750451,EMOLS-id_257919507	332.083	QNNYPJMGRCDLHN-UHFFFAOYSA-N	00001010101000000000000010000000000000000000000000000000	25-01-086103
CC(C(=O)C1=CC=CS1)C(=O)NC2=NNC3=C2CN(C3)C(=O)C	PC-id_153873225	332.094	WYUVCQVADBGQRU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086104
CC1=C(N2CCCC2=C1C(=O)O)C(=O)C(=O)N[C@@H](C)C(F)(F)F	PC-id_154663325	332.098	OLABRBYTZOVHEN-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086105
CN(C)C1=NC=NC(=C1)NC(=O)NCCC2=NC3=C(S2)CCC3	PC-id_154801749	332.142	OCJQAIDNPUZXHN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086106
CC1[C@@](OC2=NC(=CN12)[N+](=O)[O-])(C)N(C)CC3=CC=C(C=C3)OC	PC-id_153874054	332.148	TVBIJOGTWFOICC-NBFOKTCDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086107
c12n(CCN1C(=O)OC(C)(C)C)nc(Br)c2C(=O)O	EMOLS-id_320441880,MCULE-3431024540	332.151	YVGOGWQQFAPVLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086108
CC(C)(C)OC(=O)N1CCn2c(Br)c(nc12)C(=O)O	EMOLS-id_259726103,MCULE-9661950695	332.151	KFGGOODDFWSMFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086109
O[C@@H]1CON(C[C@@H]1O)C(=O)c1nn2c(c1Br)CCC2	EMOLS-id_320287298,MCULE-1989822361	332.151	TURBLEBOKJHHFA-JGVFFNPUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086110
C/C=C(C=C/C=C)/C1=NC(=O)C2=C(NC(=C21)O)/C(=C/C=C)/C=CC=C	PC-id_155056560	332.152	GCXVNXMLKXYTHP-ALGHBOFHSA-N	00000011100000000000000010000000000000000000000000000000	25-01-086111
C(=O)(Nc1sc2CCCc2c1C#N)CI	EMOLS-id_327891218,MCULE-4287171713	332.161	ZMAUDTZEMFDUTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086112
OC(=O)c1sc2CN(Cc2c1Br)C(=O)OCC=C	EMOLS-id_331276354	332.17	ACUAMGQVXVBPCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086113
Cc1ccc(S(=O)(=O)N2CCn3ncc(Br)c23)o1	MCULE-7346101909,EMOLS-id_177344472,ZINC22_585122528	332.174	VLXHWFHYWYJMTH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086114
CC(=O)CN1C2=C(CCC2)C(=N1)C(=C)N3CCN(CC3)C(=O)CO	PC-id_153575404	332.185	CYJVKBHEYFLPGZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086115
Brc1cc(C=C2CCc3[nH]c(cc23)C(=O)OC)ccc1	PC-id_66873523	332.192	FOGCJVAESYUWQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086116
Brc1cc(/C=C/CCc3[nH]c(cc23)C(=O)OC)ccc1	SCHEMBL1004244,PC-id_66873521	332.192	FOGCJVAESYUWQP-XFFZJAGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086117
Brc1cc(/C=C/2CCc3[nH]c(cc23)C(=O)OC)ccc1	SCHEMBL1004245,PC-id_66873522	332.192	FOGCJVAESYUWQP-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086118
Brc1ccc(s1)Cn1c(=O)oc2c1ccs2=O	PC-id_142674381	332.194	SRWNSRFHFRPAKW-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-086119
N#Cc1ccc(c(c1)Br)NC(c1nnc2n1CCC2)C	MCULE-1046421622,EMOLS-id_318662285	332.198	JETVZMTUHUYUOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086120
N#Cc1ccc(cc1Br)NC(c1nnc2n1CCC2)C	MCULE-8883237652,EMOLS-id_318692103	332.198	CGVVODVHVOCARW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086121
Cc1sc2=C/C(=Cc3cc4c(n3B(F)F)c(cs4)C)/N=c2c1	PC-id_102076367	332.199	DLRHYVGILZESJE-ONNFQVAWSA-N	00000010100000000000000110000000000000000000000000000000	25-01-086122
Clc1cccc(c1Cl)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316639539	332.206	MREWYFXMNHXRFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086123
Clc1cc(ccc1Cl)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316640051	332.206	KMOPKQMSIXPDQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086124
Clc1cccc(c1CS(=O)(=O)N1CCn2c1ncc2)Cl	EMOLS-id_316724723	332.206	PXMKHAXVFMXBFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086125
Clc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)Cl	MCULE-6059736426,EMOLS-id_316462726	332.206	XNUVVTASYYYZCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086126
Clc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-9393511699,EMOLS-id_316471402	332.206	KAGLMJAUVLAZTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086127
BrCCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_315196460,PC-id_112683051	332.213	QGRGWGQNIVPSNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086128
c12CN(Cc1sc(Br)c2C=O)C(=O)OC(C)(C)C	EMOLS-id_331064100,MCULE-9272584813	332.213	ORZSQQJLIYDSFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086129
CCC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	EMOLS-id_278913421	332.213	DKWQOPRFANANAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086130
CCOC(=O)c1c(NC(=O)CBr)sc2CCCc12	EMOLS-id_314593240,MCULE-5820694456,PC-id_60651206	332.213	BKEJKCJCFSGXLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086131
COC(=O)c1c(NC(=O)C(Br)C)sc2c1CCC2	PC-id_114014263	332.213	IOMDLMUYARRVRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086132
COC(=O)C(CNC(=O)c1sc2c(c1)CCC2)Br	PC-id_103492657	332.213	HQWRZNDWCBBLBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086133
OC(=O)c1sc2c(c1Br)CN(C2)C(=O)C(C)(C)C	MCULE-5765108918,EMOLS-id_258101670	332.213	VUKPUGKNMMVKGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086134
CN1C(=C2CCCC2=N1)CN3CCCCC3C(=O)N4CCOCC4	PC-id_154770809,EMOLS-id_317328660,MCULE-8707413852	332.221	VJROXICKZWVJAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086135
c12C(C)CCc1n(nc2I)CCC(C)(C)C	EMOLS-id_330984948,MCULE-7708016781	332.224	ZVSOJIHMZSAKEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086136
c12C(C)CCc1n(nc2I)CC(CC)CC	MCULE-3249947515,EMOLS-id_330981877	332.224	YHBVZHPHANDAMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086137
c12C(C)CCc1nn(CCC(C)(C)C)c2I	MCULE-4740238742,EMOLS-id_330966198	332.224	YOOVFDIYSCWPLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086138
CCC(CC)Cn1nc2CCC(C)c2c1I	EMOLS-id_330967222,MCULE-6651392667	332.224	PAOHSBMVRIGTFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086139
CC(n1nc2CCC(C)c2c1I)C(C)(C)C	EMOLS-id_330968502,MCULE-3696888603	332.224	IWMXQDTYYDUBAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086140
CC(n1nc(I)c2C(C)CCc12)C(C)(C)C	MCULE-9094282175,EMOLS-id_330983413	332.224	VPOXSECMBUNCHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086141
Brc1ccc(cc1)C1(CC1)NCc1cnc2n1CCC2	EMOLS-id_318386944,MCULE-3613373345	332.238	FYZSUYIKXMPPFM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086142
Brc1ccc(cc1)C1(CC1)NCc1nn2c(c1)CCC2	EMOLS-id_318341863,MCULE-5222947742	332.238	VHNQBSQUNAOGIL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086143
Brc1ccc(cc1)C1(CCC1)NC1CCn2c1ncc2	EMOLS-id_318083837,MCULE-9272915858	332.238	NNTVZXXFEWQKDQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086144
Brc1cccc(c1)C1(CCC1)NC1CCn2c1ncc2	MCULE-5531684269,EMOLS-id_318160725	332.238	NDUCDERJNLKBGW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086145
Brc1ccccc1C1(CNC2CCn3c2ncc3)CC1	MCULE-1192128932,EMOLS-id_318088251	332.238	FXOINVOAGJKCQU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086146
Brc1cccc(c1)C1(CNC2CCn3c2ncc3)CC1	MCULE-3834545339,EMOLS-id_318086650	332.238	SJAZSXVWNMPLTF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086147
Brc1ccccc1CC1(CC1)NC1CCn2c1ncc2	EMOLS-id_318118546,MCULE-7965908525	332.238	RMUDFWHBWMFBCN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086148
Brc1ccc(cc1)[C@@H]1C[C@H](C1)NC1CCn2c1ncc2	EMOLS-id_320097542,MCULE-9489175448	332.238	FNRZHFYJFCJTAO-FJVAONGCSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086149
BrCCC(NC(=O)c1sc2c(c1)CCC2)COC	PC-id_106156303	332.257	IIWVHUWBYKHKMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086150
BrC(CN(C(=O)c1sc2CCCc2c1)C)COC	EMOLS-id_260434076,PC-id_80670677	332.257	OXASCFQRZFVJSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086151
BrCCOCCCNC(=O)c1sc2c(c1)CCC2	PC-id_114171453	332.257	AXLPIFVFYUNHNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086152
BrCCOCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_114242779	332.257	LEOSALMAVFGWGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086153
CC(C)(C)OC(=O)NCC1CCc2c1cc(s2)Br	SCHEMBL14906836,PC-id_89535196	332.257	DTFDOZZQSWKVEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086154
COCC(CCNC(=O)c1sc2c(c1)CCC2)Br	PC-id_106245050	332.257	BUNCFNLPRPKKOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086155
COCCN(C(=O)c1sc2c(c1)CCC2)CCBr	PC-id_116053259	332.257	IYFIJNAMQHJUPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086156
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1OC)N(=O)=O	PC-id_135994058,MCULE-5557849299	332.272	QIKWHZPCQMKVDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086157
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)C(F)(F)F)C(=O)O	PC-id_134285195,SCHEMBL19900906	332.275	AAKYKZNNEGAURQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086158
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@H](C)C(F)(F)F)C(=O)O	PC-id_134285193,SCHEMBL19900903	332.275	AAKYKZNNEGAURQ-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086159
FC(F)(F)C(=O)c1n2c(CC(NC(=O)OC(C)(C)C)C2=O)cc1	PC-id_10042361	332.275	RMMFCGIIGZILEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086160
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)NC1CC1)C(=O)OC	MCULE-2953039246,EMOLS-id_324356197	332.278	CCSXFWOXXAWTGB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-086161
COC(=O)c1c(NC(=O)N2CC(C2)C(F)(F)F)nc2n1CCC2	EMOLS-id_319744741	332.278	RGWIGYXNASCMCU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-086162
BrCCCCCCCCn1sc2c(CCC2)c1=O	PC-id_85734228	332.3	KIYYFUFQRJLWMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086163
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccc(cn1)C(F)(F)F	MCULE-6420369626,EMOLS-id_319929851	332.302	ZWSVOVWWGUIOTI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086164
Cn1ncc2c1CN(C2)S(=O)(=O)c1cncc(c1)C(F)(F)F	EMOLS-id_319404746	332.302	MAYPIQXEXBSJIU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086165
Cn1ncc2c1CN(C2)S(=O)(=O)c1nccc(c1)C(F)(F)F	EMOLS-id_319931843,MCULE-3731613701	332.302	NXCANMSOWUGDHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086166
Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1C(F)(F)F	PC-id_68987835,SCHEMBL4287257	332.302	BMDRWKIZBXDOJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086167
O=S(=O)(c1cnc2n1CCC2)Nc1ccc(cn1)C(F)(F)F	EMOLS-id_97705406	332.302	UWJIXDIHQCQDLL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086168
O=S(=O)(c1cnc2n1CCC2)Nc1ccc(nc1)C(F)(F)F	EMOLS-id_100962231	332.302	SVQUYDFXMALAMJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086169
O=S(=O)(c1cnc2n1CCC2)Nc1nccc(c1)C(F)(F)F	EMOLS-id_97699124	332.302	IMDRULKCHUQIOF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086170
c12CN(Cc1nn(CC(F)F)c2C#N)C(=O)OCc1ccccc1	MCULE-9692586850,EMOLS-id_324355947	332.305	SGJOTCTXYFFCPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086171
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CNC(=O)OCc1ccccc1	PC-id_86604808	332.311	QQMDIZKAXNAIAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086172
CCC1(COC(=O)Nc2ccccc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69481965,SCHEMBL5545125	332.311	DLIKPSJQEPJHCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086173
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCOC(=O)Nc1ccccc1)C	PC-id_69482821,SCHEMBL5547392	332.311	CMXAGUFQEPQNKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086174
Clc1cc(c(s1)Cl)C(NCc1sc2c(c1)CCC2)C	PC-id_105556421	332.312	DAQFAMWMSRGFPA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-086175
Clc1sc(Cl)cc1C(NCC)c1sc2c(CCC2)c1	PC-id_43493018	332.312	WGJRPVWRJFRPAN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-086176
CC1CN(CCN(C1)C(=O)c1nn2c(c1)OCC2)CC(F)(F)F	EMOLS-id_101560656	332.321	FBYGJUGQMZSJSI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-086177
C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc3n(n2)CCO3)C1	ZINC22_333954234	332.321	FBYGJUGQMZSJSI-JTQLQIEISA-N	00000010100000000101000010000000000000000000000000000000	25-01-086178
C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc3n(n2)CCO3)C1	ZINC22_333954235	332.321	FBYGJUGQMZSJSI-SNVBAGLBSA-N	00000010100000000101000010000000000000000000000000000000	25-01-086179
O=C(c1cnn2c1CCC2)NCC(C(F)(F)F)N1CCOCC1	MCULE-2217794664,EMOLS-id_316895079	332.321	DYFCXKVJRKMHOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086180
O=C(C1COCCN1CC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319249002	332.321	VGMBSXUSWRCDQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086181
O=C(N1CCCC1C(C(F)(F)F)O)NC1CC(n2c1ncc2)C	EMOLS-id_101577162	332.321	GLFBGNXEIRUFES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086182
O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cnn2c1CCC2	ZINC22_295646750	332.321	DYFCXKVJRKMHOM-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086183
O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1cnn2c1CCC2	ZINC22_295646752	332.321	DYFCXKVJRKMHOM-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086184
CC1=Nn2c(nc(n2)C)C1=NNc1c(cnn1c1cnccc1)C#N	PC-id_88983117	332.323	DUNLIROIZVNDRY-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-086185
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1ccccn1)C#N)C	PC-id_88873669	332.323	AHYNNQFBNURBTL-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-086186
[C-]#[N+]c1cnn(c1/N=N/c1c(C)nn2c1CC(=N2)C)c1ncccn1	PC-id_58113662,SCHEMBL12910488	332.323	AGGPGWQQSWDONE-QZQOTICOSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086187
n12N=C(Cc1c(/N=N/c1n(ncc1C#N)c1ncccn1)c(n2)C)C	PC-id_70803472,SCHEMBL12945531	332.323	RCHBHTIPSOBEBU-QZQOTICOSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086188
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3cccnc3)/c1nc(n2)C)C	PC-id_58113680	332.323	PJDWCPCDMUCORJ-MOSHPQCFSA-N	00000011100000101001100010000000000000000000000000000000	25-01-086189
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ncccc3)/c1nnc2C)C	PC-id_58090602	332.323	YTPOBKKVNKGYIE-MOSHPQCFSA-N	00000011100000101001100010000000000000000000000000000000	25-01-086190
n12N=C(C(=NNc3n(ncc3[N+]#[C-])c3ncccc3)c1nnc2C)C	PC-id_76663830	332.323	YTPOBKKVNKGYIE-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-086191
O=C(C1NCc2c1c[nH]n2)NCC(C(F)(F)F)N1CCNCC1	EMOLS-id_318955597	332.325	FYVPGQFTSPPOQS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086192
COC(=O)c1c(NC(=O)NCc2cccc(c2)F)nc2n1CCC2	EMOLS-id_319038143	332.33	VGJDBVBVGNBXOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086193
COC(=O)c1c(NC(=O)NCc2ccccc2F)nc2n1CCC2	EMOLS-id_319656863	332.33	BEQLIPBTCYNXRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086194
COC(=O)c1c(NC(=O)NCc2ccc(cc2)F)nc2n1CCC2	EMOLS-id_319698149	332.33	AFVVTQNMRFIFQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086195
Fc1cccc(c1)CNC(=O)c1oc2c(n1)CN(C2)C(=O)N(C)C	PC-id_97525826	332.33	WEVGBLDIEBOVJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086196
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129575,MCULE-9099245795,PC-id_28860334	332.331	ASOSRJVYBCRCIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086197
O=C(c1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)O)CCC2	MCULE-8025588341,PC-id_2329526,EMOLS-id_317370146	332.331	KRAIYOWFCLCYOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086198
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)O	PC-id_24071844	332.331	IZBLPTSGLSIFDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086199
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)N	ZINC22_256055569,PC-id_117588457	332.334	LQMXJFOKXLIWQF-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086200
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)N)c2=O	MCULE-8349332406	332.334	LQMXJFOKXLIWQF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086201
CCOC(=O)c1c(NC(=O)c2ccc(O)cn2)sc2CCCc12	MCULE-2814801879,EMOLS-id_327927656	332.374	AAEQCXYOLBKLEX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086304
Cn1c(=O)ccn(CC(=Nc2nc3n(c2C#N)CCS3)O)c1=O	EMOLS-id_98898360,ZINC22_329419446	332.338	DYFFCCAAULUAAF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086202
N#Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68440206,SCHEMBL2917138	332.338	MDHLVEWEMVALKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086203
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68443063,SCHEMBL2925033	332.338	XUOKANLWJXHDPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086204
C1CN(CCC1c1c(c(ccc1)F)F)C(=O)C1c2c(CN1)[nH]nc2	PC-id_136572216,EMOLS-id_317053703,MCULE-2116304282	332.348	WWYCEEHKAIMBKD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086205
Fc1ccc(c(c1)F)C1(CCC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_318645881	332.348	GVZZGQRJRNAROS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086206
Fc1ccc(c(c1)F)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316645279	332.348	PSGXPGCKBUPFHI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086207
Fc1ccc(c(c1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)F	EMOLS-id_111721958	332.348	MHSMEDTWUOMNTF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086208
O=C1CC(CN1c1c(F)cccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_317985577,MCULE-9458446392	332.348	YKIBOIYRHRWFEA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086209
O=C1CC(CN1c1c(F)cccc1F)NCc1cnc2n1CCC2	MCULE-7322694071,EMOLS-id_318221418	332.348	GUONWHAMJZZFFG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086210
O=C1C[C@@H]([C@H](N1C)c1ccc(c(c1)F)F)NC1CCn2c1ncc2	EMOLS-id_318679949,MCULE-7531865584	332.348	YXPIIEQIRRTGRL-JGKCFBKVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086211
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)c1ccc(c(c1)F)F	EMOLS-id_319662223	332.348	BKYMKVXAHQJZGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086212
O=C(C1NCc2c1c[nH]n2)N1CCCC(C1)c1ccc(c(c1)F)F	MCULE-4875580030,EMOLS-id_320261544	332.348	UWZJOGBJUBCSBC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086213
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)c1cccc(c1F)F	EMOLS-id_110998708	332.348	OBVBHBKUKTXXJZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086214
O=C([C@H]1NCc2n[nH]cc12)N1CCC(c2cccc(F)c2F)CC1	ZINC22_1775985348	332.348	WWYCEEHKAIMBKD-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086215
O=C([C@@H]1NCc2n[nH]cc12)N1CCC(c2cccc(F)c2F)CC1	ZINC22_1775985349	332.348	WWYCEEHKAIMBKD-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086216
CCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960075	332.351	HPIWZOBQUHYWBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086217
COc1cc(ccc1OC)Cn1nc2c(c1C)C(C(O2)C(=O)O)C	SCHEMBL9584622,PC-id_67883778	332.351	PBWKXIKIKGGYLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086218
S1(=O)(=O)N(C(=O)c2sc(cc12)C(=O)N(C)C)CC(=O)OC	PC-id_16640054	332.353	LDVWOBDLLCVFRA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086219
c12CN(Cc1cnn2CCO)C(=O)Nc1ccc(c(OC)c1)OC	ZINC22_299797698,PC-id_118793334,MCULE-1245835236,EMOLS-id_68936674	332.354	ONTOWYPMWUUDOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086220
Cc1ccc(C(=O)N2Cc3[nH]nc(COCC(=O)N(C)C)c3C2)o1	ZINC22_2055713382,EMOLS-id_313725394	332.354	IAMWIDIMSPKVNP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086221
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])CC1C[n+]2n(C1)cnc2)O	PC-id_101696267	332.354	AASQKBOLESNUCV-HIAZDOBYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-086222
COc1ccc(cc1)CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_69481784,SCHEMBL5544460	332.354	UHNHJXSFQPFHCL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086223
COc1ccc(cc1)CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL5544472,PC-id_69481786	332.354	UHNHJXSFQPFHCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086224
COc1ccc(C(=O)NCc2nnc3n2CCC3)c(OC)c1OC	CoCoCo_4560461,MCULE-4483149542,EMOLS-id_18889429,ZINC22_12888113,PC-id_25578709	332.354	PZGDTXWIIALOFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086225
COc1cc(C(=O)NCc2nnc3n2CCC3)cc(OC)c1OC	CoCoCo_4491047,PC-id_17503988,ZINC22_12992900,EMOLS-id_16689457,MCULE-9789826902	332.354	KSTULGDMHDPSPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086226
COC(=O)c1c(NC(=O)N2CCC(CC2)(O)C#C)nc2n1CCC2	EMOLS-id_319643833	332.354	VYXKOWPARKEMKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086227
COC(=O)c1c(NC(=O)N(C(c2ccco2)C)C)nc2n1CCC2	EMOLS-id_319428385	332.354	SPYZDQGTAHSFKU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086228
COC(=O)c1c(NC(=O)N(Cc2ccc(o2)C)C)nc2n1CCC2	EMOLS-id_319709414	332.354	UKADKIONQPZXBC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086229
COC(=O)c1c(NC(=O)N(Cc2ccoc2C)C)nc2n1CCC2	EMOLS-id_319163234	332.354	JWDCYHRSYXXKBB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086230
COC(=O)c1c(NC(=O)N(Cc2occc2C)C)nc2n1CCC2	EMOLS-id_319186202	332.354	JEHLCRRDVIHBOS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086231
OCc1nnn(c1)CC1OCCN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_319575318	332.354	MBIRSROHBKWGQU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086232
O=C1N(C(=O)c2n1ccc2)C/C=C/c1ncn(Cc2ccccc2)c1	PC-id_11990196	332.356	SLMKNVZTRUJGIU-XBXARRHUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086233
O=C1N(C(=O)c2n1ccc2)CC=Cc1ncn(Cc2ccccc2)c1	PC-id_73170740	332.356	SLMKNVZTRUJGIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086234
O=CCc1ccc(cc1)c1cnc(nc1)Nc1cn2c(c1)C(=O)CC2	PC-id_145240527	332.356	HJGRVTYCEMTZGU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086235
O=C(N1Cc2c([nH]nc2NC(=O)c2ccccc2)C1)c1ccccc1	PC-id_71454907	332.356	OUILWCUQNLBYAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086236
O=C(n1nc(NC(=O)c2ccccc2)c2c1CNC2)c1ccccc1	PC-id_71477108	332.356	MODPJKPVIINFNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086237
S1C(C(n2c1ncc2)CP(=O)(OCC)OCC)C(=O)CC	PC-id_14062761	332.356	NYFUBECPESQUQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086238
S1C(=CP(=O)(OC(C)C)OC(C)C)C(O)(n2c1ncc2)C	PC-id_14062755	332.356	GMEJSWQKJAFNEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086239
S1C(C(P(=O)(OC(C)C)OC(C)C)n2c1ncc2)C(=O)C	PC-id_14062753	332.356	STBNUAPEABPWIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086240
S1[C@H]([C@@H](n2c1ncc2)CP(=O)(OCC)OCC)C(=O)CC	PC-id_21574665	332.356	NYFUBECPESQUQZ-CMPLNLGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086241
S1[C@H]([C@H](P(=O)(OC(C)C)OC(C)C)n2c1ncc2)C(=O)C	PC-id_21574669	332.356	STBNUAPEABPWIE-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086242
S1[C@H]([C@@H](P(=O)(OC(C)C)OC(C)C)n2c1ncc2)C(=O)C	PC-id_5325105	332.356	STBNUAPEABPWIE-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086243
Cc1nnc2CC(CNC(=O)c3cc(no3)N3CCOCC3)Cn12	PC-id_137336760,EMOLS-id_317471896,MCULE-1188481214	332.358	CBCJRZUPQYNCQE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086244
Cc1nnc2n1C[C@@H](CNC(=O)c1cc(N3CCOCC3)no1)C2	ZINC22_1772708349	332.358	CBCJRZUPQYNCQE-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086245
Cc1nnc2n1C[C@H](CNC(=O)c1cc(N3CCOCC3)no1)C2	ZINC22_1772708353	332.358	CBCJRZUPQYNCQE-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-086246
COc1c(cc(c(c1)Nc1c(n2CCCn2c1=O)N)NCC=O)N	PC-id_91499830	332.358	HOMLUELVOYJXHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086247
COC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=N)CC1=NCCO	PC-id_136656421	332.358	FHJIJILWNBJEFT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-086248
COC1=CC(=Nc2c(n3CCCn3c2=O)N)C(=NCCO)CC1=N	PC-id_136653112	332.358	ARRFHNFUTFNYTD-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-086249
COCCNC(=O)c1cnc2CCC(CNC(=O)c3cc[nH]n3)n12	EMOLS-id_313762753	332.358	WUOXAOZHRNSXHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086250
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1cc[nH]n1)CC2	ZINC22_1565547740	332.358	WUOXAOZHRNSXHA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086251
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1cc[nH]n1)CC2	ZINC22_2055747813	332.358	WUOXAOZHRNSXHA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-086252
COC(=O)c1c(NC(=O)N(Cc2cnn(c2)C)C)nc2n1CCC2	EMOLS-id_319328815	332.358	CDRJGZOGVKWNJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086253
OCCNC1=CC(=N)C(=C/C/1=Nc1c(=O)n2n(c1N)CCC2)OC	SCHEMBL3859677	332.358	ZSENRJNLRJNDTK-WRYPLOGNSA-N	00000010100011000001000010000000000000000000000000000000	25-01-086254
OCC/N=C/1C=C(N)/C(=N/c2c(=O)n3n(c2N)CCC3)/C=C1OC	SCHEMBL13680012	332.358	RRTDOOAWSDIWGZ-QZPYEDBESA-N	00000010100011000001000010000000000000000000000000000000	25-01-086255
OCC/N=C
/C=C(N)/C(=N/c2c(=O)n3n(c2N)CCC3)/C=C1OC	SCHEMBL13680142	332.358	RRTDOOAWSDIWGZ-ZQXXRPDGSA-N	00000010100011000001000010000000000000000000000000000000	25-01-086256
OCC/N=C/1C=C(N)/C(=Nc2c(=O)n3n(c2N)CCC3)/C=C1OC	SCHEMBL3853787	332.358	RRTDOOAWSDIWGZ-HWKALZTBSA-N	00000010100011000001000010000000000000000000000000000000	25-01-086257
OCCN=C1C=C(N)C(=Nc2c(=O)n3n(c2N)CCC3)C=C1OC	SCHEMBL3853792	332.358	RRTDOOAWSDIWGZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-086258
O=C(N(Cc1n2CCCc2nn1)C)c1nn(CCOC)c(=O)cc1	PC-id_53499606	332.358	MQQNKWNSNKAQAS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086259
N#Cc1cccc(c1)Cn1ncc(c1)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL16786493,PC-id_73292747	332.359	XJNPOZBJAFKRMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086260
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2F)OCC)n1	MCULE-6542906685,EMOLS-id_330992885	332.369	QZTCLWURCVXJGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086261
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)OCCF)n1	EMOLS-id_330992629,MCULE-8240191105	332.369	BHSKVDDZYVTLBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086262
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(F)c2)OCC)n1	EMOLS-id_330992373,MCULE-6605321895	332.369	CVWWAYPPMQSWDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086263
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1F)OCC	EMOLS-id_330974641,MCULE-4567435580	332.369	ODTMRJKGNSBHRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086264
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)OCCF	EMOLS-id_330974385,MCULE-8257091247	332.369	UXLXIJRBIINFPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086265
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)OCC	MCULE-6511011185,EMOLS-id_330974129	332.369	FQPDZPCLSSAEMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086266
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1F)OC	EMOLS-id_330974904,MCULE-8399076417	332.369	REBVHFGJFCNEBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086267
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1OC)F	MCULE-8786910430,EMOLS-id_330976441	332.369	PFYCBXDUAOMTCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086268
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)OC	EMOLS-id_330975160,MCULE-5887440420	332.369	VYXNJWPGGBKMMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086269
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(OC)c1)F	EMOLS-id_330973371,MCULE-5575554630	332.369	RWQDQQDCJPBOHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086270
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(OC)c1F	EMOLS-id_330973883,MCULE-5701712638	332.369	SAYVDQFHIPPYMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086271
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(F)ccc1OC	MCULE-3406514129,EMOLS-id_330974140	332.369	PUIBPOOMNNQNMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086272
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(OC)cc(F)c1	EMOLS-id_330973627,MCULE-3255652079	332.369	RESDKCHNVZLMKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086273
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2F)OC)n1	EMOLS-id_330995195,MCULE-9264303926	332.369	NRBQMTHUVVAXQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086274
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(cccc2F)OC)n1	EMOLS-id_330996732,MCULE-3639088922	332.369	GEITWPGJVKNTTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086275
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2OC)F)n1	MCULE-4178782760,EMOLS-id_330996988	332.369	KTAWLFXPKOPIMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086276
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(F)c2OC)n1	EMOLS-id_330997244,MCULE-9252356365	332.369	VGFLIRYTEGAAJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086277
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(F)c2)OC)n1	MCULE-1445926112,EMOLS-id_330994939	332.369	QBMNWSPPCDAGCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086278
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(OC)c2F)n1	EMOLS-id_330997498,MCULE-3962490752	332.369	KSFHREMCWKSNKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086279
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(OC)c2)F)n1	EMOLS-id_330997754,MCULE-2200963966	332.369	QRRFMSNJZOMJHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086280
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)ccc2OC)n1	MCULE-9682744091,EMOLS-id_330996476	332.369	HEZNRMQOHUIISG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086281
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(OC)ccc2F)n1	EMOLS-id_330997242,MCULE-8624650599	332.369	LAOWYCBWDSFWAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086282
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(OC)cc(F)c2)n1	MCULE-1144448505,EMOLS-id_330993915	332.369	NNYOZJOPDZOBBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086283
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1F)OC	MCULE-8033401493,EMOLS-id_330980022	332.369	NTLZTUKUJNYLFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086284
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1OC)F	MCULE-9146688487,EMOLS-id_330977720	332.369	YHXQIEIEDSWZIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086285
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)OC	EMOLS-id_330979766,MCULE-3907881598	332.369	LZLZLAVBDCCMHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086286
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(F)c1OC	MCULE-2037947109,EMOLS-id_330977976	332.369	GQLZBPZMAYZQOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086287
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)F	MCULE-4880945597,EMOLS-id_330978486	332.369	JAHMLBIXPKDCIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086288
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(OC)c1F	MCULE-7674722279,EMOLS-id_330978230	332.369	XNCKMGBYNIEQMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086289
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)ccc1OC	MCULE-8094337123,EMOLS-id_330981303	332.369	WPSGNINMXQXPMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086290
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(OC)ccc1F	EMOLS-id_330977974,MCULE-5260388341	332.369	VFWOKLZXKUBAKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086291
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(OC)cc(F)c1	MCULE-5842430148,EMOLS-id_330978742	332.369	HMQKCKNWBJQDDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086292
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1OC	MCULE-9489898908,EMOLS-id_330977464	332.369	HXGVOAPZEPKGKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086293
COC(=O)c1c2C(C)CCc2nn1C(C)c1c(F)cccc1OC	MCULE-1518991199,EMOLS-id_330974396	332.369	KEMFYUIFWFIZQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086294
C[C@H](NC(=O)CCCOc1ccc(F)cc1)c1nnc2n1CCC2	PC-id_94024445,ZINC22_44934594	332.373	CEJWMPLZLUWWQA-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086295
C[C@@H](NC(=O)CCCOc1ccc(F)cc1)c1nnc2n1CCC2	ZINC22_44934598,PC-id_94024446	332.373	CEJWMPLZLUWWQA-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086296
CN(C)CCC(c1ccc(cc1)F)NC(=O)c1nn2CCOc2c1	PC-id_91959784	332.373	XMVMIZLGQNBHKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086297
Fc1ccc(cc1)N1CCN(CC1)Cn1c(=O)n2c(c1O)CCC2	PC-id_54240220,BindingDB_PC-id_54240220	332.373	QPMIMXRKACZEBE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086298
Fc1ccc(OCCCC(=O)NC(c2n3CCCc3nn2)C)cc1	MCULE-2239066781,PC-id_45819131,EMOLS-id_31936184	332.373	CEJWMPLZLUWWQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086299
O=C(CN1Cc2cnn(CCO)c2C1)NCCc1ccc(F)cc1	PC-id_91836384,EMOLS-id_55657576,MCULE-2387918720,ZINC22_244866418	332.373	VVWPSHFYDLWXTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086300
c1(ccc(O)nc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4623805918,EMOLS-id_327926190	332.374	CSIXNUKMBFSFMI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086301
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)OC(=O)OCC	MCULE-9558117754,EMOLS-id_334660305	332.374	FQCVLOKOXFNFNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086302
CC(C(=O)Nc1cc2c(s1)CCC2)Oc1ccc(cc1)[N+](=O)[O-]	PC-id_91302607	332.374	OETNJYWMFHNQEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086303
O=C(c1ccccc1NS(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_319813910	334.393	HDRUKBZYAFBMHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087788
CCOC(=O)c1c(NC(=O)c2cc[n+]([O-])cc2)sc2CCCc12	EMOLS-id_328004305,MCULE-8320075248	332.374	HRWLKLBPHDQVFD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086305
Cn1cccc1C(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2	CoCoCo_2840771,EMOLS-id_11914611,MCULE-7949718433,PC-id_7238761,ZINC22_4462220	332.374	KIVNCWAVDQVJJS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-086306
COc1cc(cc(c1O)O)/C=N/NC(=O)c1cc2c(s1)CCC2	PC-id_135749584	332.374	DFAUCYATIZZYBU-CAOOACKPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086307
COC(=O)c1cc(/C=C/C(=O)Nc2nc3c(s2)CCC3)oc1C	CoCoCo_4355794,PC-id_17459385,ZINC22_14170077	332.374	GYRXDLBSQZLXID-VOTSOKGWSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086308
COC(=O)c1cc(oc1C)/C=CC(=O)Nc1sc2c(n1)CCC2	CoCoCo_4355795	332.374	GYRXDLBSQZLXID-SREVYHEPSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086309
COC(=O)c1cc(oc1C)C=CC(=O)Nc1sc2c(n1)CCC2	MCULE-2915117249,EMOLS-id_26221525,PC-id_72062224	332.374	GYRXDLBSQZLXID-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086310
O=C1N2C(C(C(=C2C(=O)O)CC2C[n+]3n(C2)ccc3)C)C1C(O)C	PC-id_85206772	332.374	WLKALOAYNRDVJL-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-086311
O=C1N2[C@H]([C@H](C(=C2C(=O)O)C[C@@H]2C[n+]3n(C2)ccc3)C)[C@H]1[C@H](O)C	PC-id_10616488	332.374	WLKALOAYNRDVJL-GZZJDILISA-O	00001011100000000001001010000000000000000000000000000000	25-01-086312
O=C(c1occ2c1CCC2)N1CCCC1c1scc(n1)C(=O)O	MCULE-7394733849,EMOLS-id_318647885	332.374	OACZWQWTYKTXKT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086313
O=C(c1sc2c(c1)CCC2)NC(C(c1ccncc1)O)C(=O)O	EMOLS-id_319399823	332.374	GZVJXUCJKZREOO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086314
s1c2CCCc2cc1C(=O)NNC=C1C=C(OC)C(=O)C(=C1)O	PC-id_9462371	332.374	USMPENLVXJYUAN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-086315
s1c2CCCc2cc1C(=O)NNC(=O)c1c(O)cc(OC)cc1	PC-id_27684198	332.374	JBTUGUYXRSIDFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086316
s1c2CCC(c2nc1NC(=O)/C=C/c1occc1)C(=O)OCC	PC-id_45504142	332.374	FTEJFBKVPGASCX-VMPITWQZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086317
s1c2CCC(c2nc1NC(=O)C=Cc1occc1)C(=O)OCC	PC-id_71961208	332.374	FTEJFBKVPGASCX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086318
s1c2CC[C@H](c2nc1NC(=O)/C=C/c1occc1)C(=O)OCC	PC-id_51894268	332.374	FTEJFBKVPGASCX-AYLMVEPYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086319
s1c2CC[C@@H](c2nc1NC(=O)/C=C/c1occc1)C(=O)OCC	PC-id_51894269	332.374	FTEJFBKVPGASCX-BWNDKRECSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086320
S1Cc2c(noc2NC(=O)/C=C/c2cc(OC)c(OC)cc2)C1	PC-id_49719060	332.374	IBRXOHZLHKDFFW-GQCTYLIASA-N	00000010100000110001000010000000000000000000000000000000	25-01-086321
S1Cc2c(noc2NC(=O)C=Cc2cc(OC)c(OC)cc2)C1	PC-id_75355073	332.374	IBRXOHZLHKDFFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086322
c1(NC(=O)Nc2ccc(cc2)C(=O)OC)n(C)nc2CSCc12	STOCK7S-56117,PC-id_121238796,EMOLS-id_93420250,ZINC22_263588077,MCULE-8042243388,SPECS-id_AO-022/43513064	332.378	OVWOTZBSRZLTOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086323
c1(NC(=O)Nc2cnccn2)sc2c(CCC2)c1C(=O)OCC	PC-id_110492587,MCULE-1368793339,EMOLS-id_181503901	332.378	NBADGIUSWRYGDH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086324
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(N(=O)=O)c1)N(C)C	EMOLS-id_334663384,MCULE-2230460740,PC-id_33039378	332.378	JLOVQJGDUKAIED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086325
CC1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCC3)C1=O	ZINC22_32957714,CoCoCo_3156985,PC-id_40191282,MCULE-1941874475,EMOLS-id_24049683	332.378	AGZRIDQPJQEBAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086326
CCNc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-]	MCULE-9446381311,ZINC22_95947422,EMOLS-id_48207971,PC-id_75413253	332.378	KNXRJLDXVUBIBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086327
O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319292069	332.378	UWGCWICCZMKKLN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086328
O=C(c1cccc(c1)S(=O)(=O)N1CCn2c1ncc2)NC1CC1	EMOLS-id_319357874	332.378	UDPCWFDOWPIJSH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086329
O=C(c1cnn2c1CCC2)N1CCCC1c1scc(n1)C(=O)O	MCULE-9831222135,EMOLS-id_320154113	332.378	KGGGPCSLSSLBDM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086330
O=C(N1CCCC1c1[nH]nnc1C(=O)O)c1sc2c(c1)CCC2	EMOLS-id_318841640	332.378	UYOUPRXAXGWFJX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086331
O=C(N1CCCC1c1scc(n1)C(=O)O)c1nc2n(c1)CCC2	EMOLS-id_258101025,MCULE-9295432637	332.378	GTTIJSWSRRQSNK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086332
O=C(N1CCn2c1ccn2)c1cccc(c1)NS(=O)(=O)C1CC1	EMOLS-id_319073422	332.378	FPQPUXLOJMQXGD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086333
O=C(N1CCn2c1ncc2)c1cccc(c1)NS(=O)(=O)C1CC1	EMOLS-id_319309409	332.378	JKEPLOUUIWCMTN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086334
O=C(Nc1ccccc1S(=O)(=O)C1CC1)N1CCn2ccnc12	MCULE-3218008052,ZINC22_933281935,PC-id_136563990,EMOLS-id_316947874	332.378	NCCXFTRZYRKGHZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086335
O=C(Nc1[nH]nc2c1CN(C2)C(=O)C)CCC(=O)c1cccs1	SCHEMBL2920043,PC-id_68441157	332.378	IEZNBOZIQPJLCG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086336
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)C=Cc1ccccc1	PC-id_68441218,SCHEMBL2920225	332.378	MMDWWXXMHMDLCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086337
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)/C=C/c1ccccc1	SCHEMBL2920219,PC-id_68441216	332.378	MMDWWXXMHMDLCK-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086338
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)/C=Cc1ccccc1	SCHEMBL2924281	332.378	MMDWWXXMHMDLCK-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086339
OC(=O)CNc1cccc(c1)C(=O)NCc1cn2c(n1)SCC2	EMOLS-id_31602228,PC-id_46983025,MCULE-5461531087	332.378	BSKZWNVGKOIEDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086340
s1c2CCC(c2nc1NC(=O)c1ncc(nc1)C)C(=O)OCC	PC-id_49712286	332.378	ZAOPHLPVSKOEPP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086341
s1c2CCCc2nc1NC(=O)CCNc1c([N+](=O)[O-])cccc1	PC-id_51336973	332.378	VNHXRDZXHZBJRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086342
S1CCn2c1nnc2NC(=O)/C=C/c1cc(OC)c(OC)cc1	PC-id_44007647	332.378	TXAAVWCIXKWKPY-GQCTYLIASA-N	00000010100000110001000010000000000000000000000000000000	25-01-086343
S1CCn2c1nnc2NC(=O)C=Cc1cc(OC)c(OC)cc1	PC-id_74908285	332.378	TXAAVWCIXKWKPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086344
n12nc(nc1sc(=Cc1cccnc1)c2=O)C=Cc1ccccc1	MCULE-4687986388	332.379	MVPALRAXOJNKRG-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-086345
n12nc(nc1sc(=Cc1ccncc1)c2=O)C=Cc1ccccc1	EMOLS-id_26345926,MCULE-6447641902	332.379	ZRKPZHOCJVTNRA-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-086346
O=c1/c(=C/c2cccnc2)/sc2n1nc(n2)/C=C/c1ccccc1	STOCK4S-59260,EMOLS-id_206990799,ZINC22_5216313	332.379	MVPALRAXOJNKRG-NOCYUORASA-N	00000000100000111001000010000000000000000000000000000000	25-01-086347
O=c1/c(=C/c2ccncc2)/sc2n1nc(n2)/C=C/c1ccccc1	STOCK4S-62716,ZINC22_5158464,EMOLS-id_206981064	332.379	ZRKPZHOCJVTNRA-JMGLOCJTSA-N	00000000100000111001000010000000000000000000000000000000	25-01-086348
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nc(C3CC3)cs2)c2ncnn12	ZINC22_2325756243	332.381	DDTVGXIPMXGWKB-APPZFPTMSA-N	00100010100000000001100010000000000000000000000000000000	25-01-086349
C[C@H]1C[C@H](NC(=O)C(=O)Nc2nc(C3CC3)cs2)c2ncnn12	ZINC22_2325756244	332.381	DDTVGXIPMXGWKB-CBAPKCEASA-N	00100010100000000001100010000000000000000000000000000000	25-01-086350
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nc(C3CC3)cs2)c2ncnn12	ZINC22_2325756245	332.381	DDTVGXIPMXGWKB-IONNQARKSA-N	00100010100000000001100010000000000000000000000000000000	25-01-086351
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nc(C3CC3)cs2)c2ncnn12	ZINC22_2325756246	332.381	DDTVGXIPMXGWKB-VXNVDRBHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-086352
N#Cc1c(NC(=O)COc2c(C)nn(c2C)C)nc2n1CCS2	EMOLS-id_99894008	332.381	PLJDDNJHBYAKBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086353
OC(=O)CCC1CCc2c1sc(c2C(=O)c1ccc(cc1)F)C	SCHEMBL10743526,PC-id_20213630	332.389	HYIKSWOEOKRXJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086354
Fc1ccc(cc1F)CN1CCC(CC1)NC1CCn2c1ncc2	EMOLS-id_318160209,MCULE-9248885396	332.391	VQTGEOFYIVQKMU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-086355
Fc1ccc(cc1F)N1CCC(C1)CNC1CC(n2c1ncc2)C	EMOLS-id_318034187,MCULE-4993697523	332.391	BQNPPLWCDIGRMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086356
Fc1ccc(c(c1)F)N1CCC(C1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318028435,MCULE-8146680731	332.391	DSHJSJAUJDPZKT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086357
Fc1ccc(c(c1)F)N1CCC(CC1)NC1CC(n2c1ncc2)C	EMOLS-id_317999004,MCULE-6535574886	332.391	LARPZITVUFRVDX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086358
FC1(F)CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-9917438780,EMOLS-id_318144230	332.391	UNDZLAYPXVFQDH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-086359
c1(C(=O)N(C)C)c2CCCc2sc1NC(=O)c1ccccc1F	EMOLS-id_233034946,MCULE-6047466367,CoCoCo_700034,PC-id_698799,ZINC22_76460	332.392	HBXQOCUZWMTGHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086360
c1(NC(=O)Cc2ccccc2F)sc2c(CCC2)c1C(=O)NC	MCULE-7489977969,EMOLS-id_334331869	332.392	LWRRTOOFYHJQAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086361
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NC	MCULE-8464160751,EMOLS-id_334331346	332.392	LDICDJMJTURIBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086362
CCCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccc(cc1)F	PC-id_97524486	332.392	DNKDOXLRRIDBQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086363
CC/C(=NNC(=O)c1cc2c(s1)CCC2)/c1c(ccc(c1)F)O	PC-id_135749623	332.392	ZADZDJXESQNPRI-CPNJWEJPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086364
CC(NC(=O)c1sc2c(c1)N(CC2)C(=O)c1ccc(cc1)F)C	PC-id_97407188	332.392	AZPSMNUDBPCQIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086365
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc2c(s1)CCC2	EMOLS-id_43808000,MCULE-7578209139,CoCoCo_3202624,PC-id_9150685,ZINC22_8020467	332.392	KXCFABBYZAJILG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086366
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1ccc(F)cc1)C	PC-id_9426916	332.392	WOQJHWMWHFCFPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086367
s1c2CCCc2cc1C(=O)NNC(=C1C=C(F)C=CC1=O)CC	PC-id_9462706	332.392	FLMNERBEFYVWAF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-086368
s1c2CCCc2cc1C(=O)NN=C(c1cc(F)c(OC)cc1)C	PC-id_78680137	332.392	MOXCAGCZAMKQHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086369
s1c2CCCc2cc1C(=O)N/N=C(c1cc(F)c(OC)cc1)/C	PC-id_8380648	332.392	MOXCAGCZAMKQHA-GRSHGNNSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086370
s1c2c(CCC2)c(c1NC(=O)C(c1ccc(F)cc1)C)C(=O)N	PC-id_22294389	332.392	LLMPSLWZVOTDHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086371
NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3occ4c3CCC4)CC2)O1	ZINC22_952889189,EMOLS-id_316132795,MCULE-3172271692	332.394	YJFUHEPELBPKLG-LSDHHAIUSA-N	00000010100010000000100010000000000000000000000000000000	25-01-086372
CN(C(=O)c1occ2c1CCC2)C(c1ccccn1)c1ccccc1	EMOLS-id_177256540,MCULE-9856852344	332.396	DGAUCUCRNPTMQT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-086373
CN(C(=O)c1occ2c1CCC2)[C@@H](c1ccccc1)c1ccccn1	ZINC22_585081626	332.396	DGAUCUCRNPTMQT-IBGZPJMESA-N	00000010100000111000000010000000000000000000000000000000	25-01-086374
CN(C(=O)c1occ2c1CCC2)[C@H](c1ccccc1)c1ccccn1	ZINC22_585081627	332.396	DGAUCUCRNPTMQT-LJQANCHMSA-N	00000010100000111000000010000000000000000000000000000000	25-01-086375
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1cccnc1	SCHEMBL2077322,PC-id_59180067	332.396	FPKSGZIMVRNIJS-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-086376
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1O	EMOLS-id_328219507,MCULE-7029128894	332.396	FFCQYYFONHJIMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086377
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)O	MCULE-9870878554,EMOLS-id_328217458	332.396	LAZGYDMPZXKWAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086378
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(O)c1	EMOLS-id_328220528,MCULE-5602008028	332.396	GSBQHFRVBNETGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086379
[O-][N+](=O)c1ccc(cc1)Cc1cc2c(n1Cc1ccccc1)CCC2	PC-id_100926071	332.396	MQDNPJVOUORBIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086380
S(=O)(=O)(N1CCOCC1)Nc1sc2c(CCC2)c1C(=O)O	PC-id_43145468	332.396	LLBOJONNQULOAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086381
c12CN(Cc1nn(CC1CCCC1)c2C(=O)NC1CC1)C(=O)OC	MCULE-9644946597,EMOLS-id_324354917	332.397	VYFNGNBWULWUPW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-086382
c1(NC(=O)COC(=O)c2cccs2)sc2c(CCC2)c1C#N	CoCoCo_380282,ZINC22_150000,EMOLS-id_1512897,BAS-09521198,PC-id_734421,MCULE-1427785864	332.397	LSWXCIYALLHQLU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-086383
CC(C)(C)c1c(cc(o1)C(=O)N)CN1Cc2c(C1)n(nc2)CCO	MCULE-9003862114,PC-id_91838020,EMOLS-id_55668977	332.397	ZUSRWWDTOMTBPI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086384
COCCNC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109587	332.397	MLNNNHKDSWYGTO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086385
COC(=O)c1c(NC(=O)N2CCCC2C2CCC2)nc2n1CCC2	EMOLS-id_319190704	332.397	ZYSKDYTUJDLGIM-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-086386
COC(=O)c1c(NC(=O)N2C[C@H]3[C@]2(C)CCCC3)nc2n1CCC2	EMOLS-id_319285209	332.397	JZPOESBSUNYIIR-GTNSWQLSSA-N	00001010100010000001001010000000000000000000000000000000	25-01-086387
N#Cc1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_5308303,EMOLS-id_3475372,CoCoCo_2840793,PC-id_4046176,MCULE-1736072341	332.397	GHPFHGMOGVDPIV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-086388
O1C(C(=O)N2C(c3[nH]nc(NC(=O)C4CCC4)c3C2)(C)C)CCC1	PC-id_85079930	332.397	ZQTYBTPRKOZOBM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-086389
O1[C@@H](C(=O)N2C(c3[nH]nc(NC(=O)C4CCC4)c3C2)(C)C)CCC1	PC-id_9974022	332.397	ZQTYBTPRKOZOBM-GFCCVEGCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-086390
O=C1NCCN(C1CC1CCCCC1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102165571	332.397	GVLMUPZULHFENX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086391
O=C(OCc1nc(c2cccs2)no1)c1cc2c(s1)CCC2	ZINC22_7047409,CoCoCo_3650797,MCULE-1008929134,PC-id_8187344,EMOLS-id_3690137	332.397	WKFMRXNOHQCDEN-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-086392
O=C(OCc1nnc(c2cccs2)o1)c1cc2c(s1)CCC2	MCULE-3373779356,EMOLS-id_43413378,PC-id_7623778,ZINC22_5308516,CoCoCo_2840888	332.397	AIBOHWLVSPVSHJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-086393
OC(=O)CN(C1CC(C1)NC(=O)c1n[nH]c2c1CCC2)CC1CC1	MCULE-8213043118,EMOLS-id_316126252	332.397	FTZBHYPUGGRWOA-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-086394
s1c2CCCc2cc1C(=O)OCc1nc(on1)c1ccsc1	PC-id_45778018	332.397	WHQQLKSSCPRJRK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-086395
s1c2CCCc2cc1C(=O)OCc1onc(n1)c1ccsc1	PC-id_8359590	332.397	DNIPZPCVWHEALP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-086396
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1ccccc1	PC-id_90921273	332.399	OURSREYHTNKXOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086397
c1(C(=O)NC(c2ccncc2)c2ccc(cc2)C)c2CCCc2[nH]n1	PC-id_77091490,MCULE-6182899485,EMOLS-id_49888921	332.399	YRLRKLKQQWFMIL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-086398
Cc1cccc(c1)c1cccc(c1)C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_316690109	332.399	PDOJZBNZPAWDFR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086399
Cc1cc(ccc1c1cccnc1)NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_318864564	332.399	CRTJIQHGLWYFND-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-086400
Cc1ccc(cc1)c1cncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319701969	332.399	PRUMMCBUMSULTD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-086401
Cc1cccc(c1)c1cncc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319215519	332.399	ZIUAKFCSJSQJNW-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-086402
Cc1ccc(cc1)c1cncc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319243847	332.399	DEXRPEGXQVOXOG-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-086403
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68442391,SCHEMBL2923428	332.399	ZOMAYVWHWOMPRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086404
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)Cc1ccccc1	SCHEMBL2918239,PC-id_68440564	332.399	WHNOXURUOLLDOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086405
Cc1cccc(c2ccc(NC(=O)c3c4c(nn3C)CCC4)nc2)c1	EMOLS-id_324013940,MCULE-1126977530,ZINC22_899546962,PC-id_146106617	332.399	RIXTVYZZTSBEDX-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-086406
Cc1cccc(c2cncc(C(=O)NCc3cnc4n3CCC4)c2)c1	EMOLS-id_319069560,ZINC22_1455710680	332.399	YXSKYBYUWQXQGY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-086407
Cc1ccc([C@@H](NC(=O)c2n[nH]c3c2CCC3)c2ccncc2)cc1	PC-id_99943163,ZINC22_215998489	332.399	YRLRKLKQQWFMIL-GOSISDBHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-086408
Cc1ccc([C@H](NC(=O)c2n[nH]c3c2CCC3)c2ccncc2)cc1	ZINC22_215998443,PC-id_99943161	332.399	YRLRKLKQQWFMIL-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-086409
C/C=C/C=N/c1c(C(=O)Nc2ccc(cc2)C)n2c(c1C#N)CCC2	CoCoCo_5763421,PC-id_5470026,NSC696787	332.399	CXYAYPNTHGNTSB-DMRDCZSUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086410
C/C=CC=N/c1c(C(=O)Nc2ccc(cc2)C)n2c(c1C#N)CCC2	CoCoCo_5763422	332.399	CXYAYPNTHGNTSB-LEUXVTJWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086411
C/C=C/C=Nc1c(C(=O)Nc2ccc(cc2)C)n2c(c1C#N)CCC2	CoCoCo_5763423	332.399	CXYAYPNTHGNTSB-UGKRVIIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086412
C/C=CC=Nc1c(C(=O)Nc2ccc(cc2)C)n2c(c1C#N)CCC2	CoCoCo_5763424	332.399	CXYAYPNTHGNTSB-WLNAWZNASA-N	00000010100000110000000010000000000000000000000000000000	25-01-086413
CC(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1)c1ccccc1	PC-id_68439878,SCHEMBL2916222	332.399	OXYRHHSVCMDBOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086414
CC(=O)N(c1n[nH]c2c1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_141047814	332.399	OEIDRYNNFSHRIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086415
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(c2ccccc2)cc1	MCULE-9555518224,ZINC22_83867909,EMOLS-id_43641112,PC-id_71943655	332.399	UDQJLBRZYCQKCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086416
CN(Cc1nnc2n1CCC2)C(=O)c1ccccc1c1ccccc1	PC-id_47041146,ZINC22_58166267,MCULE-9771152501,EMOLS-id_31978526	332.399	FWVCLSGEGNFTCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086417
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(N)n1	EMOLS-id_328223349,MCULE-9735437456	332.399	FMCNPGNDUUAYIV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-086418
O=C(c1ccccc1C)Nc1n[nH]c2c1CN(C2)Cc1ccccc1	PC-id_68440642,SCHEMBL2918530	332.399	CMESFPRVOXDYBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086419
O=C(c1ccc(cc1)n1c(C)ccc1C)NN=C1CCn2c1ccc2	EMOLS-id_44522114,MCULE-7711763176,PC-id_71899697	332.399	DVHWDMAIDWDRIU-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-086420
O=C(c1ccccc1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68439879,SCHEMBL2916223	332.399	MWZBZHXEHGXWLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086421
O=C(c1ccc(nc1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318786213	332.399	WSFCQLVTRULGJR-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-086422
O=C(c1ccc(nc1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320098329,MCULE-9662510451	332.399	QDFRCHSSVOTPJT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-086423
O=C(c1cn2c(n1)CCC2)NC(c1ccccn1)Cc1ccccc1	EMOLS-id_317052185,MCULE-9213329433	332.399	LSKXZSZFPSWUFR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-086424
O=C(Nc1ccc(cc1)C)c1n2CCCc2c(c1/N=C/C=CC)C#N	PC-id_393860	332.399	CXYAYPNTHGNTSB-HZDHDOLOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086425
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)Cc1ccccc1	PC-id_68439667,SCHEMBL2915603	332.399	HVRWSOQLFKBMEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086426
O=C(Nc1n[nH]c2CCCc12)Cc1cc(c2cc(N)ccc2)ccc1	PC-id_9880683	332.399	FGLLLPJGOCWOQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086427
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1cc(N)ccc1	PC-id_9945494	332.399	GMGRKQCQXBTVPY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086428
O=C(NCc1n2CCCc2nn1)Cc1ccc(cc1)c1ccccc1	PC-id_52371126	332.399	UYJAXVUCDILWNO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086429
O=C(NCCc1nnc2n1CCC2)c1ccccc1c1ccccc1	MCULE-2173408668,PC-id_51074986,ZINC22_54562508,EMOLS-id_33301379	332.399	YYJONTJVFTUEJE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086430
O=C(N/N=C
/CCn2c1ccc2)c1ccc(n2c(ccc2C)C)cc1	PC-id_75362245	332.399	DVHWDMAIDWDRIU-UZYVYHOESA-N	00000010110000110000100010000000000000000000000000000000	25-01-086431
c1(C(=O)Nc2sc3CCCc3c2C#N)cnc(SC)[nH]c1=O	EMOLS-id_328073087,MCULE-5364099241	332.401	SASVCMUTIOPRGJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086432
c1(NC(=O)CSc2nccc(=O)[nH]2)sc2c(CCC2)c1C#N	PC-id_4049123,MCULE-2996492028	332.401	KOZUCLIERVMYKC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086433
CC(C)c1noc(CCCC(=O)N[C@H](C)c2nnc3n2CCC3)n1	PC-id_95151636,ZINC22_65553406	332.401	FEHUWKBCESIOSI-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086434
CC(C)c1noc(CCCC(=O)N[C@@H](C)c2nnc3n2CCC3)n1	ZINC22_60503090,PC-id_94866676	332.401	FEHUWKBCESIOSI-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-086435
CC(=CC=C(C)N1CCn2c1cc(n2)NC(=O)NC)C(=O)N(C)C	PC-id_88932097	332.401	FWTCDTVPEPDPCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086436
C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1nnc2n1CCC2	PC-id_94024455,ZINC22_44934625	332.401	FFXDSGYZXPYYPT-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-086437
C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1nnc2n1CCC2	ZINC22_44934628,PC-id_94024456	332.401	FFXDSGYZXPYYPT-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086438
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccco1)(O)C	PC-id_111510279	332.401	AJCNPWHLWKXFJS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086439
CCOCn1nc(c(c1C)CC(=O)NC1CC(n2c1ncn2)C)C	EMOLS-id_316630847	332.401	QSJODFXIPJBHBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086440
CN(C(c1ccco1)CNC(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_35717074,MCULE-5217138118,PC-id_53505915	332.401	WXBWLWRXLCXPCF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086441
CN(Cc1nnc2n1CCC2)C(=O)NC[C@@H](c1ccco1)N(C)C	PC-id_95134490,ZINC22_65449567	332.401	WXBWLWRXLCXPCF-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086442
CN(Cc1nnc2n1CCC2)C(=O)NC[C@H](c1ccco1)N(C)C	PC-id_95134491,ZINC22_65449569	332.401	WXBWLWRXLCXPCF-GFCCVEGCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086443
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(o1)C)(O)C	PC-id_119141705	332.401	RQZPNMHGOAOPLB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086444
CNC(=O)Nc1cc2n(n1)CCN2/C(=C/C=C(/C(=O)N(C)C)C)/C	SCHEMBL12532984	332.401	FWTCDTVPEPDPCY-GNXRPPCSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086445
o1nc(nc1CCC(=O)NC(c1n2CCCc2nn1)C)C(C)(C)C	PC-id_45819136,EMOLS-id_31936194,MCULE-7095795657	332.401	FFXDSGYZXPYYPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086446
O=C(N1CCNCC1)C1CCCN(C1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319027491	332.401	WNTNNZHLMIWGFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086447
O=C(NC(c1n2CCCc2nn1)C)CCCc1onc(n1)C(C)C	EMOLS-id_35709690,MCULE-4526966702,PC-id_53514342	332.401	FEHUWKBCESIOSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086448
O=C(c1sc2c(c1)CCC2)NCc1scc(n1)c1nn[nH]n1	EMOLS-id_319248406	332.404	MPDMBTMWNBLNIV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086449
CCNC(c1sc2c(c1)CCC2)c1cnc(s1)C(F)(F)F	PC-id_106785153	332.408	PNYAZDWZGNUJMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086450
s1c2CCCc2cc1C(=O)OCc1c(cc(OC)c(OC)c1)C	PC-id_7238907	332.414	SKTSJACLTHMWNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086451
N#Cc1c(NC(=O)CSc2ccccc2F)sc2c1CCC2	MCULE-4052245414,CoCoCo_2903060,PC-id_4790533,ZINC22_6402204,EMOLS-id_3420855	332.416	XCALENUWPRGSEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086452
s1c2CCCc2c(c1NC(=O)CSc1ccc(F)cc1)C#N	PC-id_7553806	332.416	SNFJWKONKHDAIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086453
C1(CCCC1)(C(=O)OCC)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328152234,MCULE-6335421349	332.417	WQOMDVSVJQCUIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086454
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)n1	EMOLS-id_181474333,PC-id_26723435,MCULE-8664139186	332.417	HUSQZRPZXXYPMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086455
c1(NC(=O)CCC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340515,MCULE-2359446025	332.417	TUHQCPAMJPMNNS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-086456
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6726583253,EMOLS-id_334340014	332.417	SSGYVDUGFVRZCE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-086457
c1(sc2c(CCC2)n1)NC(=O)c1cc(OCC)cc(OCC)c1	PC-id_84559388,MCULE-3912146280,EMOLS-id_181476850	332.417	JNAYHVFHUKBJBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086458
CCC1(CCn2c1cc(c2C(=O)c1ccc([nH]1)SC)C)C(=O)O	PC-id_70411159,SCHEMBL10644427	332.417	QSFLZHWWUUYIDK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-086459
CCC(c1ccc(cc1)OCC(=O)Nc1sc2c(n1)CCC2)O	MCULE-3594950070,PC-id_17530702,EMOLS-id_16766950	332.417	JMIHBZGBLURMTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086460
CC[C@@H](O)c1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_12795435,PC-id_25517949,CoCoCo_4667052	332.417	JMIHBZGBLURMTR-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086461
CC[C@H](O)c1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_12795438,CoCoCo_4667051,PC-id_25517952	332.417	JMIHBZGBLURMTR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086462
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc([nH]1)SC)C	PC-id_70410991,SCHEMBL10643792	332.417	NPUHHMPHNFUTAG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-086463
CCOC(=O)c1c(NC(=O)CCc2ccc[nH]2)sc2CCCc12	EMOLS-id_328228991,MCULE-9446014549	332.417	YYFAAOLRSOZUTL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-086464
CCSc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_70410189,SCHEMBL10640421	332.417	GFRQNXPNMYYIQW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-086465
COc1cccc(c1)COC(C(=O)Nc1sc2c(n1)CCC2)C	PC-id_45887485,MCULE-8405966018,EMOLS-id_31891483	332.417	YQJHPHAYXFUNEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086466
COc1ccc(cc1)C(O)C(=O)NCCc1nc2CCCc2s1	MCULE-9690137272,EMOLS-id_68878362,PC-id_118764741	332.417	QIPVQHSNDNUUAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086467
COc1ccc(CCC(=O)Nc2nc3CCCc3s2)cc1OC	MCULE-9291997965,ZINC22_12849531,PC-id_25550928,EMOLS-id_24130509,CoCoCo_4164186	332.417	RMUDBJWBOJWEHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086468
COc1cccc(CO[C@H](C)C(=O)Nc2nc3c(s2)CCC3)c1	CoCoCo_4881705,ZINC22_40093268,PC-id_51943700	332.417	YQJHPHAYXFUNEF-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086469
Clc1sc2c(C(NC3CCN(S(=O)(=O)C)CC3)CC2)c1	PC-id_81252578	334.885	XBJVZEJDSNWNGH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088141
COc1cccc(CO[C@@H](C)C(=O)Nc2nc3c(s2)CCC3)c1	ZINC22_40093265,PC-id_51943699,CoCoCo_4881706	332.417	YQJHPHAYXFUNEF-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-086470
COc1cc(CCC(=O)Nc2nc3c(s2)CCC3)cc(OC)c1	EMOLS-id_18856254,MCULE-4042744529,PC-id_26723455,CoCoCo_4164346,ZINC22_15637054	332.417	VIPFCGCSKKNBDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086471
COc1cccc(C(=O)NCCc2nc3CCCc3s2)c1OC	EMOLS-id_55681503,MCULE-5188810506,PC-id_91787516,ZINC22_222871132	332.417	NHGAVBIJDBPHOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086472
COc1ccc([C@H](O)C(=O)NCCc2nc3c(s2)CCC3)cc1	ZINC22_299768814	332.417	QIPVQHSNDNUUAX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086473
COc1ccc([C@@H](O)C(=O)NCCc2nc3c(s2)CCC3)cc1	ZINC22_299768819	332.417	QIPVQHSNDNUUAX-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086474
COc1cc(OC)cc(c1)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_68879102,PC-id_118765087,MCULE-7123493522,ZINC22_299765728	332.417	CHLMREQCNMAMCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086475
O=C(C1CN(C1)C(=O)C)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_100083063	332.417	YZVBSBRNBKYWPF-UHFFFAOYSA-N	00101010100000000000000010000000000000000000000000000000	25-01-086476
O=C(c1occ2c1CCC2)N=S(=O)(c1ccc(cc1)N(C)C)C	EMOLS-id_316551884	332.417	LSDFZAIOCMTDON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086477
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CN1CCCC1=O	EMOLS-id_101172354	332.417	WVFOASFNBNQVQJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-086478
s1c2CCCc2cc1C(=O)OCC(=O)NC1(CCCCC1)C#N	PC-id_18777818	332.417	IUFGDTKKDAGCPB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086479
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC#N	PC-id_41733119	332.417	FCFUXAZKOYBSQU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086480
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)N(CC)CC	PC-id_4325370	332.417	GMSAQDXPMHPPPA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-086481
s1c2CCCc2c(c1NC(=O)COC(=O)CC1CCCC1)C#N	PC-id_8233947	332.417	JRGMCVREZIHMMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086482
s1c2CCCc2nc1NC(=O)c1cc(OCC)c(OCC)cc1	PC-id_3329376	332.417	RNHCNQWFFLQJIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086483
s1c2CCCc2nc1NC(=O)c1cc(OC)c(OC(C)C)cc1	PC-id_46565010	332.417	KYYWKYSTQDRILV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086484
s1c2CCCc2nc1NC(=O)CCc1c(OC)ccc(OC)c1	PC-id_33041131	332.417	XNACJPHPYZNAHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086485
c12SCCn1cc(CNC(=O)c1ccc(CN3CCCC3)o1)n2	EMOLS-id_49658460,ZINC22_97572151,MCULE-7183845820,PC-id_74239683	332.421	JXNAJVOVQYBTHH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-086486
c12SCCn1cc(CNC(=O)N(C)Cc1ccccc1OC)n2	MCULE-9752361953,PC-id_119065150,EMOLS-id_82717503,ZINC22_426491558	332.421	QUBWPYAWHOLJBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086487
c1(c(C)cc(n(CC)c1=O)C)C(=O)Nc1n(C)nc2CSCc12	EMOLS-id_316179880,MCULE-2381833785,PC-id_134697626,ZINC22_1529101674	332.421	KXBRNNPPWGPKJS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086488
c1(CC(=O)NCCc2sc3c(CCC3)n2)c(C)nc([nH]c1=O)C	EMOLS-id_55698683,MCULE-3355013965,ZINC22_223460587,PC-id_91793357	332.421	HHWUYFAVDQXIKN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086489
c1(C(=O)N)c2CCCc2sc1NC(=O)c1c(C)n(nc1C)CC	EMOLS-id_4013400,MCULE-2331159496,PC-id_4770570,ZINC22_2779551	332.421	LAPVUZUULRWUDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086490
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2sccc2C)n1	MCULE-9725130648	332.421	XRPASDAIWGVNDD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086491
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2sccc2C)n1	EMOLS-id_316327741,MCULE-3957805492	332.421	XRPASDAIWGVNDD-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-086492
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)Cc3cccs3)C2)n1	MCULE-2609276902,EMOLS-id_316329276	332.421	NTXNGRWRHVPMTC-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-086493
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)Cc3cccs3)C2)n1	MCULE-3353022583	332.421	NTXNGRWRHVPMTC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086494
Cc1ccc(C(=O)CCC(=O)N(C)Cc2nnc3n2CCC3)s1	MCULE-1164243651,EMOLS-id_31936754,PC-id_45819280,ZINC22_44934932	332.421	PUZCUJOQBNWWOX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086495
Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nnc3n2CCC3)s1	PC-id_94024463,ZINC22_44934643	332.421	PQLGVYJNBDXVEQ-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-086496
Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2nnc3n2CCC3)s1	ZINC22_44934646,PC-id_94024464	332.421	PQLGVYJNBDXVEQ-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086497
CC1(C)CN(C1c1cccnc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100598452	332.421	LEBNPFYERHSSSH-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-086498
CC1(C)CN(C1c1ccncc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100767547	332.421	KRYSNCJROMJQIR-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-086499
Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1cc2c(s1)CCC2	PC-id_9152146,EMOLS-id_11954066,CoCoCo_4194930,ZINC22_8022216,MCULE-6471232559	332.421	GGMOBIBVFCPLGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086500
CCc1[nH]nc(n1)[C@@H]1C[C@H](CN1C(=O)c1sc2c(c1)CCC2)O	EMOLS-id_319313594	332.421	GRKCGLJRTNNYBO-MNOVXSKESA-N	00000010100000000001100010000000000000000000000000000000	25-01-086501
CC(c1nnc2n1CCC2)NS(=O)(=O)c1cccc(c1)C1CC1	MCULE-3138846906,EMOLS-id_319834857	332.421	SKXMEKIFGZAVFX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086502
CCc1n[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	ZINC22_89289778,PC-id_97059612	332.421	YYUILBVTLZNTLJ-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-086503
CCc1n[nH]c([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	ZINC22_89289779,PC-id_97059613	332.421	YYUILBVTLZNTLJ-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086504
CCc1n[nH]c(n1)C1OCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_71928822,EMOLS-id_45653969,MCULE-8393110637	332.421	YYUILBVTLZNTLJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086505
CC(C)Oc1cc(NC(=O)NCc2nc3c(s2)CCC3)ccn1	EMOLS-id_316970393,MCULE-2510840903,ZINC22_930985939	332.421	DHBZWFMOTXKZSO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086506
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C(=O)N)C1	PC-id_100837149,ZINC22_229265106	332.421	WMTPCLBKTVYCEW-NXEZZACHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086507
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C(=O)N)C1	PC-id_94461645,ZINC22_52961290	332.421	WMTPCLBKTVYCEW-UWVGGRQHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086508
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C(=O)N)C1	PC-id_94461646,ZINC22_52961291	332.421	WMTPCLBKTVYCEW-ZJUUUORDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086509
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C(=O)N)C1	ZINC22_229265093,PC-id_100837148	332.421	WMTPCLBKTVYCEW-VHSXEESVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086510
C[C@@H](NC(=O)CCCC(=O)c1cccs1)c1nnc2n1CCC2	PC-id_94024440,ZINC22_44934579	332.421	KINORGWGXOYTFF-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086511
C[C@H](NC(=O)CCCC(=O)c1cccs1)c1nnc2n1CCC2	ZINC22_44934576,PC-id_94024439	332.421	KINORGWGXOYTFF-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-086512
CC(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1	PC-id_2697586,ZINC22_36389617,CoCoCo_3566634,MCULE-6409140571,EMOLS-id_13395537	332.421	PBJGRXCYADJFBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086513
CCS(=O)c1ccccc1C(=O)N(Cc1nnc2n1CCC2)C	MCULE-8045856723,EMOLS-id_35706610,PC-id_53514550	332.421	YNXCYNSVIHRXGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086514
CC[S@@](=O)c1ccccc1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_95151952,ZINC22_65554268	332.421	YNXCYNSVIHRXGC-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086515
CC[S@](=O)c1ccccc1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_95151953,ZINC22_65554271	332.421	YNXCYNSVIHRXGC-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086516
Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1cccs1)C2	PC-id_97462008,ZINC22_96187550,EMOLS-id_44325399	332.421	LSBLDCRKJAVCNH-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-086517
Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1ccsc1)C2	ZINC22_96187551,EMOLS-id_44325401,PC-id_97462009	332.421	LIRQUOOOJYJQNO-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-086518
COc1cnc(OC2CCN(Cc3nc4CCCc4s3)C2)nc1	EMOLS-id_337124047,MCULE-9420854154	332.421	WMXRATYTWIVGOL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086519
COc1cnc(O[C@@H]2CCN(Cc3nc4c(s3)CCC4)C2)nc1	ZINC22_2087126176	332.421	WMXRATYTWIVGOL-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086520
COc1cnc(O[C@H]2CCN(Cc3nc4c(s3)CCC4)C2)nc1	ZINC22_2087126177	332.421	WMXRATYTWIVGOL-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-086521
CS(=O)Cc1cccc(c1)C(=O)NCCc1nnc2n1CCC2	PC-id_71896189,EMOLS-id_44529570,MCULE-6634743278	332.421	SYIWISAGJURTST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086522
C[S@@](=O)Cc1cccc(C(=O)NCCc2nnc3n2CCC3)c1	PC-id_96071376,ZINC22_75846955	332.421	SYIWISAGJURTST-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086523
C[S@](=O)Cc1cccc(C(=O)NCCc2nnc3n2CCC3)c1	ZINC22_75846956,PC-id_96071377	332.421	SYIWISAGJURTST-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086524
N#Cc1c(NC(=O)CCN2CCC(C2)C(=O)N)sc2c1CCC2	PC-id_53507859,MCULE-8518687772,EMOLS-id_35725896	332.421	VZYMNZLYCFZUBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086525
N#Cc1c(NC(=O)CCN2CC[C@H](C(=O)N)C2)sc2c1CCC2	PC-id_94461627,ZINC22_52960938	332.421	VZYMNZLYCFZUBB-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-086526
N#Cc1c(NC(=O)CCN2CC[C@@H](C(=O)N)C2)sc2c1CCC2	ZINC22_52960939,PC-id_94461628	332.421	VZYMNZLYCFZUBB-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086527
N#Cc1c(NC(=O)C(N2CCC(C2)C(=O)N)C)sc2c1CCC2	MCULE-6387428482,PC-id_56815743,EMOLS-id_36922920	332.421	WMTPCLBKTVYCEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086528
N#Cc1c(NC(=O)C(N2CCNC(=O)CC2)C)sc2c1CCC2	EMOLS-id_98307051	332.421	VXMHKDPXRPDWGP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-086529
N[C@@H]1CN(C[C@H]1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	MCULE-1768239209,PC-id_120876864,EMOLS-id_302893208	332.421	CDYGXADVUWTZFD-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086530
O=C(c1cnc2n1CCC2)N=S(=O)(c1ccc(cc1)N(C)C)C	EMOLS-id_279034272	332.421	KIKJJIMUAJNAHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086531
O=C(c1n[nH]c2c1CCC2)N=S(=O)(c1ccc(cc1)N(C)C)C	MCULE-3241776943,EMOLS-id_258159301	332.421	GWDNQEKWSGBUBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086532
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)(O)c1ncnn1C	EMOLS-id_319006863	332.421	IAGNSWCKKFZWNU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086533
O=C(c1sc(nc1C)C1COCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318786390	332.421	IAVHABLKNQLJDW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086534
OCCN(Cc1cccnc1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_112309642	332.421	QNSQTQNTQGLGFG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-086535
O=C(N1CCC(C1)c1nocc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_319469782	332.421	SCJPHMWXOZVQNR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086536
O=C(NC(c1nnc2n1CCC2)C)CCCC(=O)c1cccs1	EMOLS-id_31936176,MCULE-6203012499,PC-id_45819128	332.421	KINORGWGXOYTFF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086537
O=C(NC(c1nnc2n1CCC2)C)CCC(=O)c1ccc(s1)C	PC-id_45819141,EMOLS-id_31936204,MCULE-6078523470	332.421	PQLGVYJNBDXVEQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086538
O=S1(=Nc2cccc(c2)OCc2nnc3n2CCC3)CCCC1	EMOLS-id_319118393	332.421	KQIGOFVSBBOWTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086539
O=S1(=O)CCCN1c1ccc(cc1)NCc1cnc2n1CCC2	EMOLS-id_318189356,MCULE-2134138895	332.421	FDFMDVXMGOHGQW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086540
O=S1(=O)CCCN1c1cccc(c1)NCc1cnc2n1CCC2	MCULE-7320273038,EMOLS-id_318105423	332.421	QVAIEVFXEQXPHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086541
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)c1ccncc1	EMOLS-id_100687118	332.421	DZJVYSLNHOSQBK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-086542
O=S(=O)(c1cnc2n1CCC2)Nc1cccc(c1)N1CCCC1	EMOLS-id_97700102	332.421	KRUZWUQQFBNJTI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086543
s1c2CCCc2cc1C(=O)NNC(=O)Cc1c(n(nc1C)C)C	PC-id_41584616	332.421	BLOYMBHCZCEBHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086544
s1c2CCCc2c(c1NC(=O)CCC(=O)N1CCNCC1)C#N	PC-id_39163243	332.421	NFEYMRPZCVXPDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086545
s1c2CCCc2c(c1NC(=O)CN(CC(=O)NC1CC1)C)C#N	PC-id_9053107	332.421	ODIJKRXPGOSCRM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-086546
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1noc(C2CC2)c1	PC-id_49671181	332.421	UQYGJSCBMUEPRZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-086547
S(=O)(=O)(NC(C1=NCc2n1nc(c2)C)C)c1c(ccc(c1)C)C	PC-id_59898459	332.421	DWFIPJULKKNBFR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-086548
c12SCCn1cc(CNc1nccc(N3CCCC(O)C3)n1)n2	MCULE-6543231297,EMOLS-id_316214792,PC-id_134710841	332.424	DQBZPCFSHMWZBB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-086549
c12SCCn1cc(CNC(=O)c1cc(CC(C)C)nc(N)n1)n2	EMOLS-id_289973828,ZINC22_952860245,MCULE-4968498210	332.424	JBAKACPXUCXLFL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086550
c1(sc2c(CCC2)n1)NC(=O)C1CCC(CC1)Cn1cnnn1	EMOLS-id_323247942,MCULE-1689416534	332.424	JRNSDTVFPPPBRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086551
Cc1cc(C)nc(S[C@H](C)C(=O)NCc2nnc3n2CCC3)n1	ZINC22_299759664	332.424	MMQRIRABTLWLDF-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086552
Cc1cc(C)nc(S[C@@H](C)C(=O)NCc2nnc3n2CCC3)n1	ZINC22_299759667	332.424	MMQRIRABTLWLDF-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-086553
CCc1nsc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1	EMOLS-id_45762358,ZINC22_89295594,MCULE-1107560521,PC-id_71870535	332.424	FEDXRMXVCCBBDV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086554
CC(Sc1nc(C)cc(C)n1)C(=O)NCc1nnc2CCCn12	PC-id_118763237,MCULE-3628393173,EMOLS-id_68874932	332.424	MMQRIRABTLWLDF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-086555
CN1CCN(CC1)c1ncc(s1)C(=O)NC1CCn2c1ncc2	EMOLS-id_320133346,MCULE-1479210801	332.424	NEJSIVZJZPHACY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086556
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1csnn1)C2	EMOLS-id_313735123,ZINC22_1565553385	332.424	WWFIGRHAHIPFOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086557
CN(C(=O)c1c(snc1C)NC1CC1)Cc1nnc2n1CCC2	EMOLS-id_318369816	332.424	NVENUXDLZLLTMY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-086558
O=C(c1csc(n1)N1CCCCC1)NC1CC(n2c1ncn2)C	EMOLS-id_316710524	332.424	JWYVPLGMPJLIPJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086559
O=C(C1NCc2c1c[nH]n2)N1CCCN(CC1)Cc1cscn1	EMOLS-id_319601803	332.424	RJNUBYFEFINGKM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-086560
O=C(c1nn[nH]c1C1CCCN1)NCCc1sc2c(n1)CCC2	EMOLS-id_319615015	332.424	MBIXDRGICSXBFZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086561
O[C@@H]1CCCN(c2ccnc(NCc3cn4c(n3)SCC4)n2)C1	ZINC22_1529179783	332.424	DQBZPCFSHMWZBB-GFCCVEGCSA-N	00000010100010100001100010000000000000000000000000000000	25-01-086562
O[C@H]1CCCN(c2ccnc(NCc3cn4c(n3)SCC4)n2)C1	ZINC22_1529179787	332.424	DQBZPCFSHMWZBB-LBPRGKRZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-086563
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_319321048	332.424	VTBMZUCKUBDGGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086564
O=C(N1CCCC1c1nccs1)NC(c1nnc2n1CCC2)C	EMOLS-id_318633363	332.424	OBGRJGAEYKRBNF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086565
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1nnc2n1CCC2	EMOLS-id_102000015	332.424	ZJYDRQYXXOROTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086566
O=C(NCCc1nnc2n1CCC2)NCc1csc(C2CC2)n1	MCULE-4072271269,ZINC22_86397052,PC-id_71972725,EMOLS-id_49103176	332.424	QHIQLSFXIKDEPO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-086567
NC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1nccs1	PC-id_111039285	332.427	UHCXRPUCNKRBCF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086568
Fc1cccc(c1)C1(CCOCC1)NCc1sc2c(n1)CCC2	EMOLS-id_318279098,MCULE-7360581056	332.436	MMPDGDKTRITADD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086569
Fc1ccc(cc1)C1(CCOCC1)NCc1sc2c(n1)CCC2	MCULE-1074318346,EMOLS-id_318059998	332.436	FZPRBRDEVOLQRR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086570
Fc1ccc(cc1)C1OCCC(C1)NCc1sc2c(n1)CCC2	EMOLS-id_318156267,MCULE-5691614079	332.436	CPYVZPWMQQASDW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086571
Fc1ccc(cc1)C(CN(C1CC1)Cc1sc2c(n1)CCC2)O	PC-id_109974904	332.436	NBZQBLIUIWHJRC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086572
s1c2CN(Cc2cc1C(=O)NC(c1ccc(F)cc1)C)C(C)C	PC-id_53171057	332.436	XSHASORXXXKTLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086573
CSc1ccc(cc1)C(=O)c1c(C)sc2c1CCC2C(=O)O	PC-id_13934076,SCHEMBL10748183	332.437	ZXMAFXBJHNGWQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086574
O=C(c1occ2c1CCC2)N1CCC(CC1)(O)CN1CCCCC1	EMOLS-id_318946752	332.437	MWAVRQXVRNLBMK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086575
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(SC)cc1	PC-id_45637919	332.437	UUKGCXSYHZPNHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086576
CCOC(=O)C1CCc2c1nc(s2)NCCCS(=O)(=O)C	PC-id_104288180	332.439	GLLFVLUOAPFXNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086577
CCOC(=O)C1CCc2c1nc(s2)NC(CS(=O)(=O)C)C	PC-id_104288881	332.439	YFWOZLIZDQVHFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086578
CCOC(=O)C1CCc2c1nc(s2)N(CCS(=O)(=O)C)C	PC-id_104289070	332.439	BEEMGRGUYRGDFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086579
CCOC(=O)C1CCc2c1nc(s2)NCCS(=O)(=O)CC	PC-id_105788457	332.439	KNKHJYBGGUDAEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086580
OC[C@@H]1c2cccn2[C@H]([C@@H]1NCc1ccccc1)Cc1ccccc1	PC-id_101862772	332.439	WEEAGASDZWNLMO-BAGYTPMASA-N	00000010100000110000000010000000000000000000000000000000	25-01-086581
s1c2c(CCC2)cc1CNS(=O)(=O)N(CCC(=O)OC)C	PC-id_65685161	332.439	JPRXMENRSPZBAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086582
s1c2c(CCC2)c(c1NS(=O)(=O)N(CCCC)C)C(=O)O	PC-id_43172919	332.439	CRWJXNHUAZPIPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086583
Brc1sc(Br)c2C(Cl)CC(O)c12	PC-id_85341701	332.44	XMLUXCHBKSAKGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086584
Brc1sc(Br)c2[C@@H](Cl)C[C@@H](O)c12	PC-id_10947563	332.44	XMLUXCHBKSAKGX-STHAYSLISA-N	00000010100000000000000010000000000000000000000000000000	25-01-086585
c1(NC(=O)C=Cc2cccs2)sc2c(CCC2)c1C(=O)NC	MCULE-4112560001,PC-id_72073382	332.44	UKUDBNUPNRDESI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-086586
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)N	SCHEMBL21045328,TIMTEC602783,CoCoCo_1071015,ZINC22_3240144,NSC744110,PC-id_2357696,MCULE-3233009660,EMOLS-id_11487666	332.44	ZSFNWAZMEQPBNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086587
Cc1ccc(c(C)c1)S(=O)(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322627141,MCULE-9953994443	332.44	MINGOQOTZNQQIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086588
Cc1ncc(s1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170458	332.44	YOMBXHPTHCYUKJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-086589
Cc1nscc1C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170446,ZINC22_333730215,MCULE-4427803799	332.44	PLOBPNPJWXMVDS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-086590
CCSc1ccc(cc1)CC(=O)Nc1nc2c(s1)C(=O)CC2	PC-id_144878320	332.44	JJVHXRYLBQVNQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086591
CC(S(=O)(=O)N1Cc2c(C1)nc(s2)C#Cc1ccccc1)C	PC-id_71713607,BindingDB_PC-id_71713607	332.44	RGLPONMIBWVOKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086592
Cl[C@@H]1C[C@@H](c2c1c(Br)sc2Br)O	PC-id_102378759	332.44	XMLUXCHBKSAKGX-GBXIJSLDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086593
O=C(c1cc2n(n1)CCC2)NCC1(CCOCC1)N1CCCCC1	EMOLS-id_101231623	332.441	XGEJKGMXMGEBQP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086615
CNC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCC2	ChemDIVG786-0639,ChEMBL-DNDi_CHEMBLF1830-0060,PC-id_7195550,EMOLS-id_27175904,ZINC22_4335442,CoCoCo_2580144	332.44	UKUDBNUPNRDESI-BQYQJAHWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-086594
CNC(=O)c1c(NC(=O)/C=Cc2cccs2)sc2c1CCC2	CoCoCo_2580145	332.44	UKUDBNUPNRDESI-FPLPWBNLSA-N	00000010100100000000000010000000000000000000000000000000	25-01-086595
COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2	PC-id_17386277,CoCoCo_6384121,ZINC22_16281519	332.44	GBQJWZPKSNPYPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086596
CSCC(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	EMOLS-id_320340549,PC-id_145894460,MCULE-1276714542,ZINC22_187311936	332.44	YPGFNHYMYVEAHI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086597
O=C(c1c(sc2c1CCC2)NC(=O)c1scnc1C)C1CC1	EMOLS-id_101170467	332.44	PJHYKNPUUVHDRM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-086598
O=C(N1CCc2c1cc(s2)C(=O)NCc1cccs1)C1CC1	PC-id_97407213	332.44	UCZYEWVHAYQBFS-UHFFFAOYSA-N	00100010100100000000000010000000000000000000000000000000	25-01-086599
s1c2c(CCC2)c(c1NC(=S)NCc1ccccc1)C(=O)O	PC-id_21148238	332.44	YUFQYVZBKHNOIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086600
c1(CN(C2CCCC2)C(=O)N2CCOCC2)c2CCCc2n(C)n1	PC-id_86266601,EMOLS-id_50145368,MCULE-8702914887	332.441	RGLAFCCOVQVLNA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086601
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)C2(CCCCC2)C)n1	MCULE-9990345921	332.441	WIXUSHWLPBFAOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086602
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)C2(CCCCC2)C)n1	EMOLS-id_316327230,MCULE-5805888318	332.441	WIXUSHWLPBFAOD-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086603
CC1CN(CC(N1C(=O)c1n[nH]c2c1CCC2)C)C(=O)C(C)(C)C	EMOLS-id_110820162	332.441	TVUUCSKEBODIKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086604
CC1CN(CC(O1)C)CC1CCCN1C(=O)c1cnn2c1CCC2	EMOLS-id_101204331	332.441	ANFUDQOYVPFQJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086605
CC1CN(CC(O1)C)CC1CCCN1C(=O)c1nn2c(c1)CCC2	EMOLS-id_101204325	332.441	GHJLPPLOFYRUSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086606
CC(C1(CCCC1)N1CCOCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_101220550	332.441	ORVSQQHAIXTNPS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086607
CC(C1(CCCC1)N1CCOCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_101220562	332.441	FQNUXOSFMMRIGL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086608
CC(=O)NC[C@@H](C)C1CCN(C(=O)c2nn(C)c3c2CCC3)CC1	ZINC22_2325849121	332.441	HCUBUGSJAVNDJY-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086609
CC(=O)NC[C@H](C)C1CCN(C(=O)c2nn(C)c3c2CCC3)CC1	ZINC22_2325849122	332.441	HCUBUGSJAVNDJY-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086610
Cn1nc(c2c1CN(C2)CC1CCCCC1)C(=O)N1CCOCC1	PC-id_97462015	332.441	XHBDUSZLOGZNQF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086611
NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(Cc2cc3n(n2)CCC3)CC1	EMOLS-id_316136398,ZINC22_1775957830,MCULE-7633310644	332.441	OYSIFCMKBLPCII-IAGOWNOFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086612
NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(Cc2cnn3c2CCC3)CC1	MCULE-2590204195,EMOLS-id_316135886,ZINC22_952889823	332.441	HRBNXBGRDWVWJA-NVXWUHKLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086613
OC1CCCCC1N1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2	PC-id_112335838,EMOLS-id_98333418	332.441	LUBDJTYXAKUXPR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086614
O=C(C1CCC(CC1)N1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319829333	332.441	XQLKCDNPGSOPNF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086616
O=C(C1CCC(CC1)N1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320238222,MCULE-4043888828	332.441	PRCOZMZIXSAQLA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086617
O=C(C1CCCN(C1)C(=O)C(C)(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110789473	332.441	PPUISMKGTGYNSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086618
O=C(C1CCCN(C1)C(=O)C(C)(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319091515	332.441	UEOYJMOBOLEPHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086619
O=C(c1cnc2n1CCC2)N1CCC(CC1)(O)CN1CCCCC1	MCULE-1795657384,EMOLS-id_319979567	332.441	MPGBBAGDFPYOCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086620
O=C(c1cnn2c1CCC2)N1CCC(CC1)(O)CN1CCCCC1	EMOLS-id_319311545	332.441	MSTRWSORHVJFJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086621
O=C(c1cnn2c1CCC2)NCC1(CCCCC1)N1CCOCC1	EMOLS-id_101200809	332.441	VOEKXCQBYYINCB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086622
O=C(c1nn2c(c1)CCC2)NCC1(CCCCC1)N1CCOCC1	EMOLS-id_101200824	332.441	DRBGIFXIYDXJQW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086623
O=C(C(C)(C)C)N1CCN(C(C1)(C)C)C(=O)c1cnn2c1CCC2	EMOLS-id_101212093	332.441	FDESEIJEIDAOIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086624
O=C(C(C)(C)C)N1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101212078	332.441	VTFYUGLAUOSMES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086625
O[C@@H]1CCN(C[C@H]1C1CCCC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572755	332.441	SPWKQQBXGHOZAM-OMFOHFGMSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086626
O=C(N1CC(C1)N(C1CC1)Cc1nn2c(c1)CCC2)OC(C)(C)C	EMOLS-id_316552702	332.441	ILZFDKDTQCJTHW-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-086627
O=C(N1CCC(CC1)OC1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101414188	332.441	YREMOYTVDMUCHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086628
O=C(NCC1(N2CCCCC2)CCOCC1)c1cnn2c1CCC2	ZINC22_333384195	332.441	BPEZNVMLIIBEIT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086629
N#CCC1C(C#N)C(c2c1c(C)n(c2C)Cc1ccccc1)N(C)C	PC-id_122382466	332.442	OOYZYTAHHAEJON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086630
c12sccn1cc(CC(=O)NCCc1sc3c(CCC3)n1)n2	ZINC22_299801413,EMOLS-id_68935309,PC-id_118792630,MCULE-3705489951	332.444	YJURHUWOGGEQLA-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-086631
CC1CC(CN1C(=O)NC(c1nnc2n1CCC2)C)N1CCCC1	EMOLS-id_98870581	332.444	CUWDDVQEHMXHSN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086632
CC(C(c1nnc2n1CCC2)NC(=O)N1CCN(CC1)C1CC1)C	PC-id_75370115,EMOLS-id_48230980,MCULE-5618892671	332.444	YPBOJAWQLKTQMY-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-086633
CC(C)[C@H](NC(=O)N1CCN(C2CC2)CC1)c1nnc2n1CCC2	ZINC22_95393994,PC-id_97211801	332.444	YPBOJAWQLKTQMY-HNNXBMFYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-086634
CC(C)[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1nnc2n1CCC2	ZINC22_95393995,PC-id_97211802	332.444	YPBOJAWQLKTQMY-OAHLLOKOSA-N	00100010100010000001100010000000000000000000000000000000	25-01-086635
CCn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-8989642332,CoCoCo_4497349,PC-id_17452848,EMOLS-id_13478868,ZINC22_11889424	332.444	GZBWZRPHBNRFPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086636
CN1CCCC(C1)N1CCN(CC1)C(=O)NC1CCn2c1ncc2	EMOLS-id_319073209	332.444	XEIGJEVJXQHHSX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086637
CN=C(N1CCC(CC1)OCC1CC1)NCc1nnc2n1CCC2	PC-id_120057249	332.444	FBDMXUOXFNFVGM-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-086638
O=C(N1CCC2N(C(C1)CC2)C(C)C)NCc1nnc2n1CCC2	EMOLS-id_99803483	332.444	VFMNEYJODZMCHA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-086639
O=C(N1CCCC1CN1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_98207744	332.444	VEKBTGTXDHZFRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086640
O=C(N1CCC(CC1)N1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_97964755	332.444	ONBUFVDHSMJHDI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086641
O=C(N1CCCC(CC1)N1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_99506885	332.444	FGHHFTGEOWPREC-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-086642
O=C(N1CCCN(CC1)C1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_99503702	332.444	XRUILNBDGCACTK-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-086643
O=C(N1CCN(CC1)C1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_100330697	332.444	YULDBNNRSVURPW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086644
O=C(NC1CCN(CC1)C1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_100482372	332.444	QIPQVNAACSLJQJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086645
O=C(NC(c1nnc2n1CCC2)C)NC1CCN(CC1)CC1CC1	EMOLS-id_98766470	332.444	RUIZSNRQLJXMKZ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-086646
O=C(NCc1nnc2n1CCC2)N1CCC(CN2CCCC2)CC1	MCULE-8326168921,PC-id_71893456,ZINC22_89819097,EMOLS-id_45753824	332.444	HGGCHQTVHSIHEB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086647
s1c(ncc1C(=O)NCc1n[nH]c2c1CCC2)C[NH+]1CCCC1	PC-id_28071603	332.444	VSYHWTHLRSYSOE-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-086648
CCCCCCCCOC(=O)c1c(c2c(s1)CS(=O)C2)F	PC-id_135070015	332.454	DRRZIYHRNREYON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086649
CC(Oc1ccc(cc1)C(CNCc1sc2c(n1)CCC2)O)C	PC-id_109948600	332.46	LFCRDRGIKIAXTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086650
CC(Oc1cccc(c1)C(CNCc1sc2c(n1)CCC2)O)C	PC-id_109948603	332.46	SXMQGCBFWWCKRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086651
COc1ccc(cc1)C(C(NC(c1sc2c(n1)CCC2)C)C)O	PC-id_110017323	332.46	YSRWPVRKOUUGPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086652
O=C(C1CC(=O)c2c1ccs2)N1CCCCC1CN1CCCC1	PC-id_15132425,SCHEMBL8899937	332.46	XBDSFPYRZJHJJG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-086653
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)C(=O)NCC1CC1	PC-id_86996320	332.46	LSWQFMPNWOKRQY-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-086654
OC(CNC(c1sc2c(n1)CCC2)C)COc1cccc(c1)C	PC-id_109908744	332.46	XJGQIPHCHUWVET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086655
s1c2c(CCC2)cc1C(=O)NNC(=O)C1C(C1C=C(C)C)(C)C	PC-id_24559700	332.46	ZVPUTKFPKGAJQD-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-086656
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_516651834	332.464	KBIGUESHLILNEK-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086657
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_516651835	332.464	KBIGUESHLILNEK-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086658
Cc1nn(C)c(C)c1CCC(=O)NCCc1nc2CCCc2s1	ZINC22_82171267,PC-id_70788434,EMOLS-id_44452695,MCULE-1977676837	332.464	HXUMYEFNCYZJLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086659
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc2c(s1)CCC2	PC-id_33040562,MCULE-5747200620,ZINC22_25768866,EMOLS-id_43971928,CoCoCo_4164352	332.464	WIUVCEFIJRXYQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086660
Cc1nn(CCC(=O)NCCc2nc3CCCc3s2)c(C)c1C	MCULE-3742568086,PC-id_91763653,EMOLS-id_55613045	332.464	BWZSJTOIRABWEQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086661
CC(C)c1nccn1C(C)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_55698823,PC-id_91842261,MCULE-4871864759	332.464	MZYHGEKYQREMRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086662
CC(C)c1nccn1[C@H](C)C(=O)NCCc1nc2c(s1)CCC2	ZINC22_244724746	332.464	MZYHGEKYQREMRY-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086663
CC(C)c1nccn1[C@@H](C)C(=O)NCCc1nc2c(s1)CCC2	ZINC22_244724747	332.464	MZYHGEKYQREMRY-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086664
CCn1cc([C@H]2OCCC[C@@H]2NCc2nc3c(s2)CCC3)cn1	ZINC22_328629055,EMOLS-id_112029883,MCULE-1673764759	332.464	HWCJOUMKZHQVHA-WMLDXEAASA-N	00000010100010000001100010000000000000000000000000000000	25-01-086665
CCN1CCN(CC1)CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_86915071	332.464	VHVISNSJGIESCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086666
CCn1nccc1[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CCC2	ZINC22_328654176,MCULE-3616266717,EMOLS-id_112047256	332.464	XHJOQNPZVLJBBA-YVEFUNNKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-086667
Cn1ccnc1C(C1CCCN(C1)Cc1sc2c(n1)CCC2)O	PC-id_109975447	332.464	ARNPNIPIRRPZSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086668
Cn1ccnc1C(C1CCN(CC1)Cc1sc2c(n1)CCC2)O	PC-id_109974895	332.464	MYFGRTGBMWIEJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086669
Cn1nccc1C1OCCC(C1)Nc1sc2c(n1)C(CC2)(C)C	MCULE-2954982920,EMOLS-id_318574054	332.464	GQDDAPGQJMKVEN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086670
CN(C(c1sc(nc1C)C(C)C)C)C(=O)c1cn2c(n1)CCC2	EMOLS-id_316907940,MCULE-1864908940	332.464	KBIGUESHLILNEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086671
N#Cc1c(NC(=O)CC2CC(C)CC(C2)(C)C)nc2n1CCS2	EMOLS-id_111034024	332.464	KGMCPUFIGSSTDN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086672
OCCn1nccc1C1CCN(CC1)Cc1sc2c(n1)CCC2	PC-id_109974736	332.464	KIDCUNGJCJQTTQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086673
O=C(Nc1nc(c2cccs2)cs1)c1cc2c(s1)CCC2	ZINC22_72257286,PC-id_72089021,EMOLS-id_42928777,MCULE-9150998399	332.464	IZUSEJILWVXNEU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-086674
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1sccc1)C)C#N	PC-id_74486400	332.464	FKXVUXRKFZULIB-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-086675
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1sccc1)C)C#N	PC-id_25982827	332.464	FKXVUXRKFZULIB-SNVBAGLBSA-O	00000010100100000000000010000000000000000000000000000000	25-01-086676
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccsc1)C)C#N	PC-id_9054604	332.464	YRBPVPIHCHYAOD-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-086677
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)C)C#N	PC-id_8966105	332.464	AYSVRKRUXICGCP-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-086678
CCNC(=NCc1nnc2n1CCC2)NCc1ccc(s1)CC	PC-id_111020331	332.467	KKRCSNSJXLWHAD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086679
CCNC(=NCc1nnc2n1CCC2)N(CCc1cccs1)C	PC-id_109548666	332.467	KGPDMDXRCDAQQK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086680
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccs1)C	PC-id_111791748	332.467	USDKJXNRTAAUDB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086681
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccsc1)C	PC-id_111704336	332.467	CFGRCSPVHNAASU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086682
CN=C(NCc1nnc2n1CCC2)NCC(Cc1cccs1)C	PC-id_111510265	332.467	REWFGGQCXMMVKO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086683
CN=C(NC(Cc1ccc(s1)C)C)NCc1nnc2n1CCC2	PC-id_109514059	332.467	LIBYTTILRJAKLX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086684
CN=C(NCC(c1cccs1)(C)C)NCc1nnc2n1CCC2	PC-id_111581430	332.467	GBRWQPGOWOMJLG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086685
Cc1cnc([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)s1	ZINC22_257276335	332.483	NTGPEKUBLPLUHT-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086686
Cc1cnc([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)s1	ZINC22_257276336	332.483	NTGPEKUBLPLUHT-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086687
s1c2CCCc2nc1NC(=O)Cc1ccc(SC(C)C)cc1	PC-id_16838757	332.483	QCDUWURFYBWBAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086688
s1c2CN(Cc2cc1C(=O)Nc1ccc(SC)cc1)C(C)C	PC-id_53171024	332.483	XGJFZGSJVKHSQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086689
c1(cc2c(CCC2)s1)C(=O)N1CCCC(C1)c1sc(cn1)C	PC-id_110106882,EMOLS-id_245997,MCULE-8379564282,BDE-32101394	332.484	NTGPEKUBLPLUHT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086690
CC1CC(c2n1ccn2)NCC1(CCCCC1)CN1CCOCC1	EMOLS-id_317998492	332.484	DCWKFNAZZQPKSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086691
CCC(C1CCC(CC1)NC(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_101435139	332.484	IJPUWRGXRJJMPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086692
COC1CCN(CC1)C1(CNCc2cnc3n2CCC3)CCCC1	EMOLS-id_318167822	332.484	UQRRWLLPFIBLNV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086693
OC1CCCCC1N1CCC(CC1)NC(c1cc2n(n1)CCC2)C	EMOLS-id_101842786	332.484	RFEUDZJQCWJXQG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086694
O=C(N1CCC(C1(C)C)CC(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101702327	332.484	VDKRBHGNFRHOCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086695
O=C(N(C1CCC(CC1)C(C)(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101581047	332.484	XYESUEDMCZNYFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086696
O=C(NC1CC(n2c1ncc2)C)NC1CCCC(CC1)C(C)(C)C	EMOLS-id_101421621	332.484	ZLSUTUIJVIGOQZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-086697
O=C(NC1CC(n2c1ncc2)C)NCC1CCC(CC1)C(C)(C)C	EMOLS-id_101366929	332.484	SWSNKZFKGOUICJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086698
CCNC(=NCc1nnc2n1CCC2)NCCCCC1CCCC1	PC-id_111608544	332.487	CJICWIDNERSCQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086720
O=C(NC(CC1CCCCCC1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101574942	332.484	OCMNZSIUGGXWDS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-086699
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)Cc1ccsc1	PC-id_9180928	332.484	GPTOGNXXSRHOAJ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-086700
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)Cc1sccc1	PC-id_9472173	332.484	MKUVMJZLMFJMFO-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-086701
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CC(CC(C1)C)C)C#N	PC-id_74605327	332.484	OZDAFRJXKRUTNM-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-086702
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C(CCCC1)CC)C#N	PC-id_75865867	332.484	FSSIOTLFIKLKAF-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-086703
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@@H](C[C@H](C1)C)C)C#N	PC-id_30100085	332.484	OZDAFRJXKRUTNM-CHWSQXEVSA-O	00000010100010000000000010000000000000000000000000000000	25-01-086704
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@@H](C[C@@H](C1)C)C)C#N	PC-id_30100089	332.484	OZDAFRJXKRUTNM-BETUJISGSA-O	00000010100010000000000010000000000000000000000000000000	25-01-086705
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@H](C[C@@H](C1)C)C)C#N	PC-id_30100093	332.484	OZDAFRJXKRUTNM-STQMWFEESA-O	00000010100010000000000010000000000000000000000000000000	25-01-086706
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1[C@@H](CCCC1)CC)C#N	PC-id_52546294	332.484	FSSIOTLFIKLKAF-CYBMUJFWSA-O	00000010100010000000000010000000000000000000000000000000	25-01-086707
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1[C@H](CCCC1)CC)C#N	PC-id_52546296	332.484	FSSIOTLFIKLKAF-ZDUSSCGKSA-O	00000010100010000000000010000000000000000000000000000000	25-01-086708
s1c2c(CCC2)c(c1NC(=O)CC[NH+](C1CCCCC1)C)C#N	PC-id_52546321	332.484	AWAYPSHWAARCCI-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-086709
s1c2CCCc2nc1NC(=O)CCCSCc1ccccc1	PC-id_41581769	332.484	NQFUYBASDCQZRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086710
CCCNCCCN(S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053349	332.485	JFOCPPUDXSCXCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086711
CC(NCCCN(S(=O)(=O)Nc1sc2c(n1)CCC2)C)C	PC-id_106053341	332.485	QCXHUJCHZQVOCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086712
CCCC1(C)CCCN(C1)C(=NCc1nnc2n1CCC2)NCC	PC-id_109490300	332.487	LVAHXBPXRGVGKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086713
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)C(CC)CC	PC-id_111743709	332.487	KZDPPQLHJPQOBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086714
CCNC(=NCc1nnc2n1CCC2)NC1CCC(CC1)C(C)C	PC-id_109841730	332.487	NAJCTYAHQFBDBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086715
CCNC(=NCc1nnc2n1CCC2)NCC1(CCC1)CC(C)C	PC-id_109683657	332.487	HITALQLFCDAFFU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-086716
CCNC(=NCc1nnc2n1CCC2)N(CC1CCC(CC1)C)C	PC-id_109516073	332.487	YPLZBEDOZMCHIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086717
CCNC(=NCc1nnc2n1CCC2)NCCC1CCCC(C1)C	PC-id_111558181	332.487	BMQDFKMVEMCKCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086718
CCNC(=NCc1nnc2n1CCC2)NCCCC1CCCCC1	PC-id_111020153	332.487	CBYAYEYQZHTDOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086719
CN=C(NCC1(CCCC1)CC(C)C)NCc1nnc2n1CCC2	PC-id_109592152	332.487	UMBNDHZGXHAUPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086721
CN=C(NC(CCC1CCCCC1)C)NCc1nnc2n1CCC2	PC-id_109482633	332.487	IIQCJQXISHESFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086722
CCC(C(=O)Nc1sc2c(c1C#N)CCC2C(CC)(C)C)CC	PC-id_58601359,SCHEMBL2648159	332.503	FATSVWQUGGCDDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086723
CCC(C(=O)Nc1sc2c(c1C#N)CC(C2)C(CC)(C)C)CC	SCHEMBL2649507,PC-id_58601358	332.503	RSXXMQDOBSCFAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086724
s1c2C(CC(C)(C)C)CCc2c(c1NC(=O)C(CC)CC)C#N	PC-id_10336892	332.503	ICNWBNKEAYJDHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086725
s1c2CC(CC(C)(C)C)Cc2c(c1NC(=O)C(CC)CC)C#N	PC-id_10426905	332.503	DHQZDJZOISFOKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086726
Clc1cc2c(s1)CCC2Nc1cc(Cl)c(cc1Cl)C	PC-id_104726275	332.676	YXJSYTYALBXTDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086727
CC1CCc2c1c(Cl)nn2Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_330974960,MCULE-3077501817	332.724	OGESFMYEIFYDCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086728
CC1CCc2c1c(Cl)nn2Cc1cccc(c1F)C(F)(F)F	EMOLS-id_330975217,MCULE-4482147281	332.724	XDKYSLGJLQJMTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086729
CC1CCc2c1c(Cl)nn2Cc1cc(ccc1F)C(F)(F)F	MCULE-1952671561,EMOLS-id_330975985	332.724	QKFBKHOVROWNKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086730
CC1CCc2c1c(Cl)nn2Cc1ccc(c(F)c1)C(F)(F)F	MCULE-8028318335,EMOLS-id_330975216	332.724	DHXUTJWUZPFROA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086731
CC1CCc2c1c(Cl)nn2Cc1ccc(F)cc1C(F)(F)F	MCULE-2460867791,EMOLS-id_330973425	332.724	NKIDENGIWSMAHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086732
CC1CCc2c1c(Cl)nn2Cc1ccc(F)c(c1)C(F)(F)F	MCULE-2589561054,EMOLS-id_330975473	332.724	FTUPTHBLMUVGOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086733
CC1CCc2c1c(Cl)nn2Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_330973681,MCULE-3920065802	332.724	HXVDEDVSUJDQFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086734
CC1CCc2c1c(Cl)nn2Cc1cc(F)cc(c1)C(F)(F)F	MCULE-6564255459,EMOLS-id_330975729	332.724	PEFBQOPFTZJHFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086735
CC1CCc2c1c(Cl)nn2Cc1c(F)cccc1C(F)(F)F	MCULE-1309244541,EMOLS-id_330977264	332.724	KKHZHMAPQBLPNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086736
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(Cl)c12	MCULE-3121976636,EMOLS-id_331021484	332.724	WFYAKDXEQUVFOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086737
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(Cl)c12	MCULE-6773052510,EMOLS-id_331018414	332.724	SDNZIDHOVBHBOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086738
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(Cl)c12	MCULE-7648475032,EMOLS-id_331021741	332.724	DEXXCGVDZPKXQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086739
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(Cl)c12	EMOLS-id_331021740,MCULE-1051207034	332.724	IXQPJKALCZXXRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086740
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(Cl)c12	EMOLS-id_331021997,MCULE-1709784862	332.724	GNXUGQTZSLNMNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086741
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(Cl)c12	MCULE-7701724146,EMOLS-id_331019949	332.724	GBFSLZOOZFIGMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086742
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(Cl)c12	EMOLS-id_331020205,MCULE-9684218673	332.724	SFPWEBHCTLVNGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086743
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(Cl)c12	MCULE-4564188044,EMOLS-id_331022253	332.724	HQABVDUIIROYTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086744
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(Cl)c12	EMOLS-id_331019693,MCULE-8389257163	332.724	DKQZFCOTPVVQFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086745
Clc1c(NCc2sc3CCCc3c2)ncc(c1)C(F)(F)F	PC-id_63540690	332.772	OMCMINKMHGKKPS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086746
Clc1nc(NCc2sc3c(c2)CCC3)cc(c1)C(F)(F)F	PC-id_106194061	332.772	SUDBQKWXSMOELV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-086747
Clc1ccc(C(=O)c2n3c(CCC3)c(c2N)C(=O)OCC)cc1	PC-id_23965683	332.781	CJELLBWPZNCWSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086748
C[C@@](NC(=O)c1cnn2c1CCC2)(C(=O)N)c1cccc(Cl)c1	ZINC22_263365170	332.785	VTEXUGCPIQZXCV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086749
C[C@](NC(=O)c1cnn2c1CCC2)(C(=O)N)c1cccc(Cl)c1	ZINC22_263365172	332.785	VTEXUGCPIQZXCV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086750
CC(=O)Nc1ccc(c(c1)Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319585586	332.785	PVBMQOWHZZUXGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086751
CC(=O)Nc1ccc(cc1Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320074387,MCULE-7186849489	332.785	BILQHVPASSQUQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086752
CC(=O)Nc1ccc(cc1Cl)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318770109	332.785	FJFUYJAABQRQPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086753
CC(=O)Nc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)Cl	EMOLS-id_319313378	332.785	GAIYQXCQHCBDEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086754
CC(=O)N[C@@H](CC(=O)N1CCn2nccc12)c1ccc(Cl)cc1	ZINC22_375594950	332.785	CEFBKCKKNOJUAF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086755
CC(=O)N[C@H](CC(=O)N1CCn2nccc12)c1ccc(Cl)cc1	ZINC22_375594951	332.785	CEFBKCKKNOJUAF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086756
Clc1cccc(c1)C(C(=O)N)(NC(=O)c1cnn2c1CCC2)C	EMOLS-id_72442420,PC-id_121865170,MCULE-6954759851	332.785	VTEXUGCPIQZXCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086757
NC(=O)C1N(Cc2c1c[nH]n2)C(=O)CCCc1ccc(cc1)Cl	PC-id_139018039,MCULE-5828693995,EMOLS-id_320349833	332.785	HGXCWRQXRUWUNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086758
NC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)CCCc1ccc(Cl)cc1	ZINC22_1776005658	332.785	HGXCWRQXRUWUNZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086759
NC(=O)[C@H]1c2c[nH]nc2CN1C(=O)CCCc1ccc(Cl)cc1	ZINC22_1776005661	332.785	HGXCWRQXRUWUNZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086760
O=C(C1NCc2c1c[nH]n2)N1CCOC(C1)c1ccccc1Cl	MCULE-3927077333,EMOLS-id_320021961	332.785	VHCZRWTXAMDBPH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086761
O=C(N1CCn2c1ccn2)CC(c1ccc(cc1)Cl)NC(=O)C	MCULE-8436121537,EMOLS-id_316054428	332.785	CEFBKCKKNOJUAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086762
Clc1ccc(nc1)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319017144	332.788	JKRIHIJQDDZCKL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-086763
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C#N	SPECS-id_AN-153/I181361,SPECS-id_AK-968/40735327,BAS-06848363,MCULE-9730074113,EMOLS-id_1487150,CoCoCo_356033,ZINC22_90845,PC-id_705590,TIMTEC347925	332.805	NZUYSPBFJXOUJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086764
c1(NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C#N	CoCoCo_1078055,MCULE-8002253792,SPECS-id_AK-968/40730445,EMOLS-id_4013611,TIMTEC221142,ZINC22_2762948,PC-id_4492878,SPECS-id_AN-153/I181367	332.805	IOLWUYZMOVXGNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086765
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-3169072534,CoCoCo_322428,SPECS-id_AP-970/40078383,BAS-04435931,ZINC22_782901,EMOLS-id_1452978,PC-id_1074685	332.805	OLZQGHNZPIOOAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086766
COc1ccc(cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_356030,MCULE-2268504598,BAS-06848351,PC-id_958576,EMOLS-id_1487144,ZINC22_566916,SPECS-id_AP-970/41072166,SPECS-id_AN-153/I226309	332.805	YFVRINFGYKJTBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086767
N#Cc1c(NC(=O)CCc2cccc(Cl)c2)nc2n1CCS2	EMOLS-id_42895011,ZINC22_72287814,PC-id_72132815,MCULE-8740976522	332.808	DVQCBHAXLYWEPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086768
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(CC)c2)Cl)n1	MCULE-3341439243,EMOLS-id_330992121	332.825	GQTVNGAJXSDHAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086769
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(CC)c1)Cl	EMOLS-id_330973877,MCULE-6981115585	332.825	VKKVLQZMLIFNBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086770
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2C)Cl)n1	EMOLS-id_330996479,MCULE-4587296636	332.825	VSCPFDYLAWXQNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086771
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2Cl)C)n1	MCULE-7747297336,EMOLS-id_330995198	332.825	MPQONRVQGDWIMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086772
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(C)c2Cl)n1	EMOLS-id_330995710,MCULE-4558416335	332.825	NCJSNZJHKOETDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086773
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(C)c2)Cl)n1	EMOLS-id_330996735,MCULE-5453420092	332.825	WLEQYFIXFQVRGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086774
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)ccc2Cl)n1	MCULE-4766014854,EMOLS-id_330995966	332.825	UUDHIMNRUYYJJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086775
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(C)cccc2Cl)n1	MCULE-6775377175,EMOLS-id_330995454	332.825	VNXYHZBXDPQYKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086776
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)cc(Cl)c2)n1	MCULE-6278867894,EMOLS-id_330994175	332.825	BUOBTJBBVOTUEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086777
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(Cl)c2C)n1	EMOLS-id_330993919,MCULE-9465221277	332.825	MKWIVTYQUKFCDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086778
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)C)n1	EMOLS-id_330997758,MCULE-9636468209	332.825	FAKKVPRXWSLTEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086779
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(Cl)ccc2C)n1	EMOLS-id_330994431,MCULE-4182004613	332.825	AWXQNORGIUQJBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086780
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1C)Cl	EMOLS-id_330981306,MCULE-5125960457	332.825	AWOPVDJRVXMKTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086781
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)CCC	EMOLS-id_330966521,MCULE-2650668639	333.266	KIOXIMKZCWWDFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086888
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1Cl)C	EMOLS-id_330980025,MCULE-8854928006	332.825	DUJCCVVSVCRDGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086782
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(C)c1Cl	EMOLS-id_330980537,MCULE-2845676118	332.825	UOJSVXVDOSMGNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086783
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)Cl	MCULE-2778029759,EMOLS-id_330977467	332.825	AKKDTZHZNTWHRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086784
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)ccc1Cl	MCULE-8183078029,EMOLS-id_330980793	332.825	FGENKGGWKLJYOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086785
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)cc(Cl)c1	EMOLS-id_330979002,MCULE-4740353915	332.825	WYHNEFLZQMAJIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086786
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(Cl)c1C	EMOLS-id_330978746,MCULE-7852507876	332.825	OXJMAVUADOIFFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086787
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)C	MCULE-3604546245,EMOLS-id_330978490	332.825	BXIPNOVDIZEDRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086788
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(Cl)ccc1C	EMOLS-id_330979258,MCULE-5818086393	332.825	KVKCEXVSGPZHAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086789
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1CCl	MCULE-5162473692,EMOLS-id_331008188	332.825	QYGMJODLJDVLED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086790
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(C)cccc1Cl	MCULE-6318409881,EMOLS-id_330980281	332.825	GVLYJLBFSOZLLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086791
Clc1ccc(Cn2c3C(CCc3nc2C(C)C)CC(=O)O)cc1	PC-id_46829880,SCHEMBL2475103	332.825	UVSPNNZDVWHXDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086792
c1(CN2CCC(CC2)(O)c2ccc(cc2)Cl)nnc2CCCn12	EMOLS-id_337744058,ZINC22_2298032728,MCULE-8790984356	332.828	LJBKYDJVSVEVSJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086793
CC(C(c1ccc(cc1)Cl)C(=O)NCc1nnc2n1CCC2)C	MCULE-7103121541,PC-id_42887051,EMOLS-id_25006295	332.828	XYTRKIHYUWLWDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086794
CC(C)[C@H](C(=O)NCc1nnc2n1CCC2)c1ccc(Cl)cc1	CoCoCo_4474356,PC-id_40108034,ZINC22_32873614	332.828	XYTRKIHYUWLWDM-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086795
CC(C)[C@@H](C(=O)NCc1nnc2n1CCC2)c1ccc(Cl)cc1	PC-id_40108033,CoCoCo_4474355,ZINC22_32873613	332.828	XYTRKIHYUWLWDM-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086796
Clc1cccc(c1)CC1(O)CCN(C1)CC1CCc2n1ncn2	EMOLS-id_316939365,MCULE-2220551722	332.828	YGSKXRUQIRROPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086797
Clc1cccc(c1)C(C(=O)NC(c1nnc2n1CCC2)C)(C)C	EMOLS-id_318459170	332.828	IHDKMDFTZSRTQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086798
Clc1cccc(c1CN1Cc2c(C1)cnn2C)N1CCOCC1	EMOLS-id_318176533	332.828	SZOPRJQSJAUXFK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086799
Clc1cc(ccc1CN1CCCC1)OCc1nnc2n1CCC2	EMOLS-id_319793684	332.828	FBRCTDMROIPPFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086800
Clc1c(CN(C)C)ccc(NC(=O)c2nn(c3CCCc23)C)c1	PC-id_84467391	332.828	SRJSPAXMOOCCOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086801
Clc1cc(Cl)c(nc1NCc1sc2c(c1)CCC2)Cl	PC-id_106194041	333.664	ZPRXIMPXZAERFK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087431
CN(C(c1cccc(c1)Cl)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319465131	332.828	JJIQDJMHJKUPFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086802
CN(C(c1ccc(cc1)Cl)C(=O)NCc1cnc2n1CCC2)C	MCULE-6970830185,EMOLS-id_320081668	332.828	QTOIFVPILSAHCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086803
CN(C(c1ccc(cc1)Cl)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319336030	332.828	XCWXRDVYFGSEOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086804
CN(C(c1cccc(c1)Cl)C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-1223700034,EMOLS-id_319858117	332.828	QLTNWJJULOCMBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086805
COc1ccc(cc1N1CCC(C1)NC1CCn2c1ncc2)Cl	EMOLS-id_318361655,MCULE-8243005681	332.828	YPQSHPYMPGMHRB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086806
O[C@@]1(Cc2cccc(Cl)c2)CCN(C[C@@H]2CCc3ncnn23)C1	ZINC22_639556284	332.828	YGSKXRUQIRROPF-DOTOQJQBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086807
O[C@@]1(Cc2cccc(Cl)c2)CCN(C[C@H]2CCc3ncnn23)C1	ZINC22_639556285	332.828	YGSKXRUQIRROPF-NVXWUHKLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086808
O[C@]1(Cc2cccc(Cl)c2)CCN(C[C@@H]2CCc3ncnn23)C1	ZINC22_639556287	332.828	YGSKXRUQIRROPF-RDJZCZTQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086809
O[C@]1(Cc2cccc(Cl)c2)CCN(C[C@H]2CCc3ncnn23)C1	ZINC22_639556288	332.828	YGSKXRUQIRROPF-WBVHZDCISA-N	00000010100000110001000010000000000000000000000000000000	25-01-086810
CCNC(=NCc1ccc(cc1)Cl)NCc1nnc2n1CCC2	PC-id_111020203	332.831	OWWBSLYFAKSCRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086811
CCNC(=NCc1ccccc1Cl)NCc1nnc2n1CCC2	PC-id_111020221	332.831	VSJIKIIJCVKLLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086812
CCNC(=NCc1cccc(c1)Cl)NCc1nnc2n1CCC2	PC-id_111020223	332.831	SEUNZOFKZFOQFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086813
CN=C(N(Cc1ccc(cc1)Cl)C)NCc1nnc2n1CCC2	PC-id_111293927	332.831	KSBGQZMQRJAGDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086814
CN=C(N(Cc1ccccc1Cl)C)NCc1nnc2n1CCC2	PC-id_111294805	332.831	ODNHFXLUVIPUFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086815
CN=C(N(Cc1cccc(c1)Cl)C)NCc1nnc2n1CCC2	PC-id_111305641	332.831	ISSXSKZPSFDXST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086816
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1)Cl	PC-id_111020235	332.831	LDVCTJFRUFXRMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086817
CN=C(NCc1nnc2n1CCC2)NCCc1cccc(c1)Cl	PC-id_111020451	332.831	MODIEKWTJFMETH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086818
CN=C(NCc1nnc2n1CCC2)NCCc1ccccc1Cl	PC-id_111020623	332.831	BCCWMJCYYXLRTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086819
CC(=O)Nc1sc2c(c1C(=C)Nc1ccc(cc1)Cl)CCC2	PC-id_142393455	332.848	JVGSMKYRNZUPAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086820
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008444,MCULE-1731662499	332.868	VQYKNGJIBKALOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086821
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008956,MCULE-2602360397	332.868	FEZXMVHLCHLORZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086822
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1CCl	MCULE-3802575759,EMOLS-id_331011760	332.868	UUYCYLSWPFTAQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086823
Clc1sc2CCC(Nc3ccc(cc3)c3sccn3)c2c1	PC-id_81234131	332.871	MHIDZECMYPTZMA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086824
Clc1sc2CCC(Nc3cc(ccc3)c3sccn3)c2c1	PC-id_81246329	332.871	XAAFUCJNURQMST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086825
CN(C(c1ccc(cc1)Cl)CNC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318371653	332.871	DZTVLHXUMYDMIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086826
C1C2=CN(N=C2CN1)S(=O)(=O)C3=CC=C(S3)Br	PC-id_164872248	332.924	AEJVWCFRTKTOSO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-086827
C1CN2C(=NC(=N2)Br)C1OC3=C(C(=C(C=C3)F)F)F	PC-id_153606619	332.972	OMRCDECYSDPNTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086828
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=NC=C3)Cl)NC(=O)[O-]	PC-id_151838426	333.076	SGDMZHGRFPQYPH-UHFFFAOYSA-M	00000010100000101000000010000000000000000000000000000000	25-01-086829
C1CC2=C(C1)SC(=N2)C(=O)NCCOC3=CC=C(C=C3)[N+](=O)[O-]	PC-id_154805596	333.078	VPWXAUFMICLFLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086830
C[C@@H](CC(=O)C1=CC(=C2N1CCS2)C(=O)O)C3=CC=C(C=C3)F	PC-id_160071908	333.083	OQURQPUXFNJVAP-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-086831
C1CC2=NC=C(N2C1)S(=O)(=O)NC(=O)C3CCC(CC3)(F)F	EMOLS-id_112057248,PC-id_154781306	333.096	OTFCXUBOPGFSST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086832
C1CN2C=NC=C2C1NC(=O)[C@@H]3C[C@H]3C4=CC=C(C=C4)OC(F)F	PC-id_154781234,EMOLS-id_317769129,MCULE-5110802189	333.129	JAQCYBXRKQSXLF-WLDKUNSKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086833
Cn1nnc(c1)S(=O)(=O)N1CCn2c1c(Br)cn2	EMOLS-id_319584936	333.165	PXEUUVVAKUFNLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086834
Cc1c(n2c(n1)/c(=Cc1cc(c(c(c1)Cl)O)Cl)/c(n2)C)[N+]#[C-]	PC-id_136034560	333.172	YHAFJIWWAYNBDB-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086835
Cc1c(n2c(n1)c(=Cc1cc(c(c(c1)Cl)O)Cl)c(n2)C)[N+]#[C-]	PC-id_136651190	333.172	YHAFJIWWAYNBDB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086836
Brc1ccc(NC(=O)CC2Cn3c(C2=O)ccc3)cc1	PC-id_56694652	333.18	DPEKAQJJRQZGIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086837
Brc1cccc(c1)/C=N/NC(=O)c1n[nH]c2c1CCC2	PC-id_9643170,SPECS-id_AT-225/JK16595	333.183	MFXTVHQFCPLRQJ-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086838
Brc1ccc(cc1)/C=NNC(=O)c1n[nH]c2c1CCC2	SPECS-id_AT-225/JK15366	333.183	CZUQLYVXKGBWEB-PXNMLYILSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086839
Brc1ccc(/C=N/NC(=O)c2n[nH]c3CCCc23)cc1	PC-id_6049678,EMOLS-id_207271348	333.183	CZUQLYVXKGBWEB-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086840
Brc1c(/C=N/NC(=O)c2n[nH]c3CCCc23)cccc1	SPECS-id_AT-225/JK16716,PC-id_9643437	333.183	MBYBTZVPSDMDQJ-LZYBPNLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086841
C1Cc2c(C(=O)NN=Cc3c(Br)cccc3)n[nH]c2C1	MCULE-4451832846,PC-id_4027067	333.183	MBYBTZVPSDMDQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086842
C1Cc2c(C(=O)NN=Cc3ccc(Br)cc3)n[nH]c2C1	PC-id_4254939,MCULE-1518851806	333.183	CZUQLYVXKGBWEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086843
C1Cc2c(C(=O)NN=Cc3cccc(Br)c3)n[nH]c2C1	MCULE-6837645598,PC-id_4015507	333.183	MFXTVHQFCPLRQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086844
O=C(c1cc(Br)cnc1C1CC1)N1CCn2nccc12	ZINC22_935883039,MCULE-3921769440,EMOLS-id_313185358,PC-id_136565178	333.183	QODQNIROQWJUCM-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-086845
COC(=O)c1sc2c(c1Br)CN(C(=O)N(C)C)C2	ZINC22_595407361	333.202	MVMRCQWCBOATEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086846
CC1CCC2=C1C(=NN2CC(=O)C(C)C)C(=O)N3CCC(CC3)O	PC-id_153536637	333.205	WSFSJKGDEWRQQD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086847
O=C(c1n[nH]c2c1CCC2)NCC(C(F)(F)F)(C(F)(F)F)F	EMOLS-id_278471554	333.205	LEJGPLVZLMYNOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086848
c12C(C)CCc1n(nc2I)CCCN(C)C	EMOLS-id_330984692,MCULE-7317235564	333.212	VISVPYXXMWBBPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086849
c12C(C)CCc1nn(CCCN(C)C)c2I	EMOLS-id_330965942,MCULE-8089886038	333.212	AEXJEVZEHYMJHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086850
C1Cc2c(C1)cn(n2)[BH-](n1nc2c(c1)CCC2)n1nc2c(c1)CCC2	PC-id_101369037	333.218	WRGCAFJNTCCYRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086851
C1Cc2c(C1)n(cn2)[BH-](n1cnc2c1CCC2)n1cnc2c1CCC2	PC-id_101369039	333.218	ZCSMBAMICVKCTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086852
CC1CCc2c1c(C=O)nn2Cc1ccc(Br)cc1C	EMOLS-id_331002867,MCULE-6262560754	333.223	AYALBHFOGQRSFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086853
CC1CCc2c1c(C=O)nn2Cc1ccc(Br)c(C)c1	MCULE-9229553944,EMOLS-id_331003123	333.223	UNMBBXFJOOYFJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086854
CC1CCc2c1c(C=O)nn2Cc1cc(C)cc(Br)c1	EMOLS-id_331004403,MCULE-9308697504	333.223	BFUAGHSBFHPDSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086855
CC1CCc2c1c(C=O)nn2Cc1ccc(C)c(Br)c1	MCULE-4300575677,EMOLS-id_331004147	333.223	OOGYUOZQHBKRQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086856
CC1CCc2c1c(C=O)nn2Cc1cccc(C)c1Br	MCULE-4179204925,EMOLS-id_331002356	333.223	XFGNGQFRCKCCIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086857
CC1CCc2c1c(C=O)nn2Cc1ccc(C)cc1Br	MCULE-8978004844,EMOLS-id_331005939	333.223	DAIOMGZVSMNLIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086858
CC1CCc2c1c(C=O)nn2Cc1cc(C)ccc1Br	MCULE-9142771362,EMOLS-id_331002100	333.223	IXCQFURADYYNPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086859
CC1CCc2nn(Cc3ccc(Br)cc3C)c(C=O)c12	MCULE-7617931858,EMOLS-id_330982590	333.223	RVYLZLGHLRKRHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086860
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(C=O)c12	MCULE-1846937793,EMOLS-id_330982846	333.223	JLYJLINDIMWRBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086861
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(C=O)c12	EMOLS-id_330983870,MCULE-4901170754	333.223	XOZNWTYZGZFEET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086862
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(C=O)c12	EMOLS-id_330984126,MCULE-4013174933	333.223	URIGGNBXJVDQLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086863
CC1CCc2nn(Cc3cc(C)ccc3Br)c(C=O)c12	MCULE-4926767459,EMOLS-id_330981823	333.223	PKYKPGYUKLSUDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086864
CC1CCc2nn(Cc3cccc(C)c3Br)c(C=O)c12	MCULE-8812517935,EMOLS-id_330982079	333.223	QUPQKZNTCNLWDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086865
CC1CCc2nn(Cc3ccc(C)cc3Br)c(C=O)c12	MCULE-9664803951,EMOLS-id_330981567	333.223	BEQVWVNUEZZENK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086866
Brc1cccc(c1)C1(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318385008,MCULE-5535848021	333.226	COQKAFJDNWWFBW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086867
Brc1ccccc1C1(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_318721803,MCULE-5053892555	333.226	RUUYPKWEOAJJRU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-086868
Brc1ccc(nc1C1CC1)NCc1cnc2n1CCC2	EMOLS-id_318123120,MCULE-6760578359	333.226	FLULMJFSTUMKCT-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-086869
Brc1cncc(c1)C(C1CC1)NC1CCn2c1ncc2	MCULE-1706090193,EMOLS-id_318302037	333.226	HIGZRSQXBLPORA-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-086870
CC(/C=CNCN)NC1=NNC2=C1CN(C2(C)C)C(=O)NC3CC3	PC-id_148341081	333.228	LGRCPRPOCQJQAX-SREVYHEPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-086871
ClC1(Cl)C(C1)(C)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_51166591	333.233	FFKJKDKIMAUBMW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-086872
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1F	EMOLS-id_324909064	333.237	GVIOARLNWCXFKD-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086873
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c(F)c1	EMOLS-id_324909576	333.237	BZBFMKYLHSCUEK-BAQGIRSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086874
Fc1ccc(F)c(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324907022	333.237	GZKCLRRNTPIDPJ-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086875
n12c(=O)c(=Cc3ccc(cc3F)F)sc1nc(C(F)(F)F)n2	MCULE-3131963961	333.237	BZBFMKYLHSCUEK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086876
n12c(=O)c(=Cc3ccc(c(F)c3)F)sc1nc(C(F)(F)F)n2	MCULE-3099375092	333.237	GVIOARLNWCXFKD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086877
n12c(=O)c(=Cc3cc(F)ccc3F)sc1nc(C(F)(F)F)n2	MCULE-4528886622	333.237	GZKCLRRNTPIDPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086878
c12CN(Cc1sc(Br)c2CN)C(=O)OC(C)(C)C	MCULE-8818516290,EMOLS-id_331064612	333.245	DRKYVYXUROJFKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086879
c12CN(Cc1sc(N)c2CBr)C(=O)OC(C)(C)C	MCULE-6960540917,EMOLS-id_331066403	333.245	JSNZHUOHXPZGFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086880
O=C(OC(C)(C)C)NNC1CCc2c1cc(s2)Br	EMOLS-id_313737025	333.245	JXIBFOCWYHUUJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086881
Brc1c(NCc2sc3CCCc3c2)ccc(c1)C#N	PC-id_82809821	333.246	PYEKYDMHBOSAQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086882
N#Cc1cc(Br)ccc1NCc1sc2c(c1)CCC2	PC-id_114893697	333.246	PDELIRYHSUZHLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086883
N#Cc1ccc(cc1Br)NCc1sc2c(c1)CCC2	PC-id_107280321	333.246	KVCZHXNLYAORRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086884
N#Cc1c(cccc1Br)NCc1sc2c(c1)CCC2	PC-id_114884481	333.246	FBZAROZINKAVCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086885
N#Cc1ccc(cc1NCc1sc2c(c1)CCC2)Br	PC-id_114905267	333.246	AJESKUWICUWWQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086886
N#Cc1cc(NCc2sc3c(c2)CCC3)cc(c1)Br	PC-id_102822288	333.246	KAMQSGCKSIFYDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086887
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)C(C)C	MCULE-1887560539,EMOLS-id_330966777	333.266	KKJRNGYMNXXAHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086889
CC1CCc2c1c(Br)nn2Cc1cc(C)c(C)cc1C	EMOLS-id_330971121,MCULE-1143623417	333.266	CNRSNFWEJTXUMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086890
CC1CCc2c1c(Br)nn2Cc1c(C)cc(C)cc1C	MCULE-5737829942,EMOLS-id_330971377	333.266	OHKOWTGWAXMWNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086891
CC1CCc2c1c(CBr)nn2Cc1cccc(C)c1C	EMOLS-id_331030534,MCULE-8016670420	333.266	YZLPJTLXQXMJSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086892
CC1CCc2c1c(CBr)nn2Cc1cc(C)ccc1C	EMOLS-id_331034117,MCULE-3869644365	333.266	BCYUFSFMGZIODV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086893
CC1CCc2c1c(CBr)nn2Cc1c(C)cccc1C	EMOLS-id_331034373,MCULE-7142234751	333.266	ZZWQORRGWHFWBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086894
CC1CCc2c1c(CBr)nn2Cc1ccc(C)cc1C	MCULE-5480270729,EMOLS-id_331027726	333.266	ITYCGZHSPWLTQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086895
CC1CCc2c1c(CBr)nn2Cc1cc(C)cc(C)c1	EMOLS-id_331033862,MCULE-8193315283	333.266	PGUOMVXUZIOIJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086896
CC1CCc2c1c(CBr)nn2Cc1ccc(C)c(C)c1	MCULE-9735624818,EMOLS-id_331030285	333.266	KXCHBHYOJYMPMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086897
CC1CCc2nn(Cc3ccc(C)cc3C)c(CBr)c12	EMOLS-id_331010744,MCULE-9401553982	333.266	AUIAMWUINXXYFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086898
CC1CCc2nn(Cc3cc(C)ccc3C)c(CBr)c12	MCULE-4886669770,EMOLS-id_331013055	333.266	MQMZPSBHIBQBLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086899
CC1CCc2nn(Cc3c(C)cccc3C)c(CBr)c12	MCULE-5264724170,EMOLS-id_331013311	333.266	AWDFOXDFDGBTJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086900
CC1CCc2nn(Cc3cccc(C)c3C)c(CBr)c12	MCULE-8394186422,EMOLS-id_331013567	333.266	HZQYOICHCPFIAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086901
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(Br)c12	EMOLS-id_331014830,MCULE-2848152519	333.266	PZWOEAUSFCNMPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086902
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(CBr)c12	EMOLS-id_331016880,MCULE-1567180146	333.266	PZYLYCNGTBMVDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086903
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(Br)c12	MCULE-2322560433,EMOLS-id_331014574	333.266	DDATVUOINCXSSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086904
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(CBr)c12	MCULE-7978671331,EMOLS-id_331013303	333.266	JHCHNGGEYCOACB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086905
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331015599,MCULE-7392618399	333.266	UFPYGSWMOKDBNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086906
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1Br	MCULE-3933541297,EMOLS-id_331018402	333.266	AHEQIXVQBOOFJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086907
CCc1ccccc1C(C)n1nc2CCC(C)c2c1Br	MCULE-9636594747,EMOLS-id_331019939	333.266	DJOJMHCVQMBBBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086908
CCc1ccccc1Cn1nc2CCC(C)c2c1CBr	EMOLS-id_331013823,MCULE-9768450438	333.266	NSQNNELYKDKBNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086909
CC(c1ccccc1C)n1nc2CCC(C)c2c1CBr	MCULE-7195411118,EMOLS-id_331015349	333.266	AIRPVUVGQTWABQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086910
CCc1ccccc1Cn1nc(CBr)c2C(C)CCc12	EMOLS-id_331030790,MCULE-7550157000	333.266	WAEDSXWWOTUGMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086911
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1Br	EMOLS-id_331015855,MCULE-1565239126	333.266	JQQRZGHILJDLBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086912
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1Br	EMOLS-id_331019426,MCULE-2056411169	333.266	HMCMCWUMFMLFPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086913
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1Br	EMOLS-id_331020195,MCULE-3383794541	333.266	FXMAXFREQUKABA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086914
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1Br	EMOLS-id_331022241,MCULE-5438837283	333.266	FLTHSZFNCLMDMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086915
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1CBr	MCULE-6756526346,EMOLS-id_331014833	333.266	YKLAYZOQAXXOJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086916
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1CBr	MCULE-7247063580,EMOLS-id_331017651	333.266	FRKFKLNBBPLYND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086917
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1Br	EMOLS-id_331019170,MCULE-7570716846	333.266	BQAYXGWPNZSERE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086918
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1Br	MCULE-8969222448,EMOLS-id_331015343	333.266	BMOQFQQIVDNGIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086919
CCc1cccc(Cn2nc3CCC(C)c3c2CBr)c1	MCULE-6081782908,EMOLS-id_331017136	333.266	XEBKHGFRXCOBBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086920
CCc1cccc(Cn2nc(CBr)c3C(C)CCc23)c1	EMOLS-id_331034118,MCULE-2808321501	333.266	DGSAJAGVCGFDCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086921
CCc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1	MCULE-4161926565,EMOLS-id_331013559	333.266	SXDQLNFRGBPXJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086922
CCc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1	MCULE-7340087983,EMOLS-id_331026446	333.266	YGTZYZZSMQDQBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086923
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1Br	EMOLS-id_331015086,MCULE-3528220290	333.266	PCCFEGFYJAQPOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086924
CC(C)c1ccccc1Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330971633,MCULE-3636804812	333.266	YHSVMDBLGATFQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086925
CC(C)c1cccc(Cn2nc3CCC(C)c3c2Br)c1	EMOLS-id_331017902,MCULE-8436144261	333.266	WBIHJKJDPQCERR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086926
CC(C)c1cccc(Cn2nc(Br)c3C(C)CCc23)c1	EMOLS-id_330970354,MCULE-2130080711	333.266	DAKJUBFKHLBBSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086927
CCCc1ccc(Cn2nc3CCC(C)c3c2Br)cc1	MCULE-7846571924,EMOLS-id_331018149	333.266	XFKURXYSADACNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086928
CC(C)c1ccc(Cn2nc3CCC(C)c3c2Br)cc1	MCULE-9677921260,EMOLS-id_331014310	333.266	XRRIHEVPMGEQOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086929
FC(Oc1ccc(cc1F)S(=O)(=O)N1Cc2c(C1)cn[nH]2)F	EMOLS-id_318367353	333.286	JMOPIVBAEYIHLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086930
FC(Oc1ccc(cc1F)S(=O)(=O)N1CCn2c1ncc2)F	MCULE-4461030970,EMOLS-id_320004931	333.286	MKNIDPYDSJUIRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086931
FC(Oc1ccccc1S(=O)(=O)N1CCn2c1ncc2)(F)F	EMOLS-id_316741125	333.286	WBOGCIKIJIEUIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086932
OCC(c1nn2c(c1C(=O)O)N(CC2)C(=O)OC(C)(C)C)(F)F	SCHEMBL18739989	333.288	WRZMPKSWDBXRHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086933
CC(=O)Cn1c2c(CN(C2)C(=O)OC(C)(C)C)c(n1)C(F)(F)F	SCHEMBL15724327,PC-id_90162705	333.306	XRVJUBCKJNAACX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086934
CC(=O)Cn1c(c2CN(Cc2n1)C(=O)OC(C)(C)C)C(F)(F)F	SCHEMBL15724326,PC-id_90162704	333.306	HIDVCKKFGIBRFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086935
OC[C@@H]1COCCN1C(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_319126210	333.306	HDAIFOGWUHRAAP-SECBINFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-086936
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NC1C[C@H]([C@H](C1)O)O	EMOLS-id_320026520	333.306	JKQNHXNMQYZBAY-ZSNLRNAZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086937
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)N[C@@H]1C[C@H]([C@H](C1)O)O	EMOLS-id_319242803	333.306	JKQNHXNMQYZBAY-IJRMOIDVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086938
CC1=Nn2c(nc(n2)C)C1=NNc1c(cnn1c1ncccn1)C#N	PC-id_88983260	333.311	NYZQWDPLQTZPPD-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086939
CC1=Nn2c(nc(n2)C)C1=NNc1c(cnn1c1nccnc1)C#N	PC-id_88983109	333.311	AKJGSZDKMVMTMI-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086940
CC1=Nn2c(nc(n2)C)C1=NNc1c(cnn1c1ncncc1)C#N	PC-id_88983108	333.311	GMVLOHLXPGXIQX-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086941
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1ncccn1)C#N)C	PC-id_88873678	333.311	RIBZNFBNMVKWHM-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086942
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1nccnc1)C#N)C	PC-id_88873676	333.311	YBZIIGOAIGDVGZ-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086943
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1ncncc1)C#N)C	PC-id_88873682	333.311	PREZJCBRJHDTSG-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086944
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1nnccc1)C#N)C	PC-id_88873684	333.311	KLMQILNSFWOUSR-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086945
FC(c1nn(cc1c1ccccc1)Cc1nnc2n1CCC2)(F)F	EMOLS-id_320104057,MCULE-9764622791	333.311	ADEUBCWUJYPSCE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086946
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ncccn3)/c1nc(n2)C)C	PC-id_58113653	333.311	FIKWMDMEEOXGMT-JAIQZWGSSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086947
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ncccn3)/c1nnc2C)C	PC-id_58090601	333.311	MVKUFTQNVWOXBN-JAIQZWGSSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086948
n12N=C(C(=NNc3n(ncc3[N+]#[C-])c3ncccn3)c1nnc2C)C	PC-id_76663829	333.311	MVKUFTQNVWOXBN-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086949
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3nccnc3)/c1nc(n2)C)C	PC-id_58113661	333.311	ZCYJXCUDRXWGSJ-NDENLUEZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086950
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3nccnc3)/c1nnc2C)C	PC-id_58090586	333.311	KFDQKMKUUMDZSQ-NDENLUEZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086951
n12N=C(C(=NNc3n(ncc3[N+]#[C-])c3nccnc3)c1nnc2C)C	PC-id_76663821	333.311	KFDQKMKUUMDZSQ-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086952
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ncncc3)/c1nc(n2)C)C	PC-id_58113651	333.311	INSYTGRZVDVLQF-NDENLUEZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086953
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ncncc3)/c1nnc2C)C	PC-id_58090648	333.311	BZWJHUCCTXAJMT-NDENLUEZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086954
n12N=C(C(=NNc3n(ncc3[N+]#[C-])c3ncncc3)c1nnc2C)C	PC-id_76663866	333.311	BZWJHUCCTXAJMT-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086955
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3nnccc3)/c1nnc2C)C	PC-id_58090641	333.311	HRBGLYJIUROQMA-NDENLUEZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086956
n12N=C(C(=NNc3n(ncc3[N+]#[C-])c3nnccc3)c1nnc2C)C	PC-id_76663860	333.311	HRBGLYJIUROQMA-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-086957
COc1ccc(cc1F)C(C(=O)O)NC(=O)c1cnn2c1CCC2	EMOLS-id_316408975,MCULE-8269822173	333.314	CVLIZEPBLANVFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086958
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)O	PC-id_117588199,EMOLS-id_190367503,ZINC22_256027774	333.319	AWYIAOVOLNHISV-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086959
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)O)c2=O	MCULE-6455958724	333.319	AWYIAOVOLNHISV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086960
O=C(c1sc2c(c1)CCC2)N1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O	PC-id_120951021	333.326	MPOYKZHBFBVMBP-RKDXNWHRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086961
O=C(N1CCC(C1)(C(=O)O)C(F)(F)F)c1sc2c(c1)CCC2	PC-id_121651532,MCULE-3983240526,EMOLS-id_71408512	333.326	MZUFYOCUXICKMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-086962
OC1CN(C(C1)c1ccc(c(c1)F)F)C(=O)c1occ2c1CCC2	EMOLS-id_318300279	333.329	TUWJNWUWLBGCBX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-086963
O=C(C1CN(C(=O)C1)CC(F)(F)F)Nc1sc2c(n1)CCC2	MCULE-2113869059,PC-id_45812152,EMOLS-id_31898930	333.329	GUCDQARBJAZILR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086964
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(CC(F)(F)F)C1	PC-id_93612130,CoCoCo_4821108,ZINC22_40508559	333.329	GUCDQARBJAZILR-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086965
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(CC(F)(F)F)C1	PC-id_93612131,CoCoCo_4821109,ZINC22_40508561	333.329	GUCDQARBJAZILR-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086966
Cn1nc2c(c1C(=O)NC1(c3c(F)cccc3F)COC1)CCC2	PC-id_136566502,EMOLS-id_316934081,MCULE-6201218293,ZINC22_886630911	333.333	WPUGTNFHXJLXQJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-086967
Cn1nc2c(c1NC(=O)/C=C/c1ccc(OC(F)F)cc1)CCC2	PC-id_47777673,ZINC22_84303426	333.333	FTRBVMZWCXGPCF-JXMROGBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086968
FC(F)Oc1ccc(C=CC(=O)Nc2n(nc3c2CCC3)C)cc1	EMOLS-id_44549788,MCULE-1361174945,PC-id_71885743	333.333	FTRBVMZWCXGPCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086969
OC1CN(C(C1)c1ccc(c(c1)F)F)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318337266	333.333	QENZOKVJLTVXHZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086970
O=C(c1ccc(cc1)OC1CC1(F)F)NCc1cnc2n1CCC2	MCULE-3648028369,EMOLS-id_320077865	333.333	UBNDYAQYGOHQBU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086971
O=C(c1ccc(cc1)OC1CC1(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319660263	333.333	LWCPSJOGFKFELO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-086972
Fc1ccc(c(c1)F)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_320249850,MCULE-9932596528	333.336	SDHGDEQVLQSYRI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086973
Fc1ccc(c(c1)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)F	EMOLS-id_319739472	333.336	DURINWGBISHVEA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-086974
O=C(C1NCc2c1c[nH]n2)NC1CCN(C1)c1ccc(cc1F)F	EMOLS-id_319965438,MCULE-9468758323	333.336	DIYDJXVEKLOJKG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086975
C1Cc2c(C1)sc(n2)NC(=O)C=Cc1c(cc(cc1)F)[N+](=O)[O-]	PC-id_91942769,EMOLS-id_300883948,MCULE-4572377012	333.337	ULNGDINZZHDRPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086976
O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1nc2c(s1)CCC2	ZINC22_63913606,PC-id_75418369	333.337	ULNGDINZZHDRPS-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086977
s1c2c(CCC2)c(c1NC(=O)C(=O)NCc1occc1)C(=O)[O-]	PC-id_8034540	333.339	JBCXTUHTPCLKIH-UHFFFAOYSA-M	00000010101000000000000010000000000000000000000000000000	25-01-086978
O=c1n(c2c(n1Cc1ccccc1)C(=O)NC2=O)Cc1ccccc1	NSC641061,CoCoCo_5701707,PC-id_369307	333.341	MGFIMCFURALMFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086979
COc1c(cc(c(c1)Nc1c(n2CCCn2c1=O)N)NCC=O)O	PC-id_90908305	333.342	SFENIMIACDZLOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086980
COC(=O)c1c(NC(=O)N2CC(=O)N(C2)C2CC2)nc2n1CCC2	EMOLS-id_319164385	333.342	WKFGCXQQHAZNOO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-086981
O=c1n2n(CCC2)c(N)c1/N=C
/C(=CC(=O)C(=C1)OC)NCCO	SCHEMBL13680138,PC-id_57578025	333.342	VGTYDOZJHSUCHM-VCHYOVAHSA-N	00000010100011000001000010000000000000000000000000000000	25-01-086982
O=C(N1CCOCC1c1noc(n1)C(C)C)c1nn2c(c1)OCC2	EMOLS-id_99597765	333.342	GOPUVGNUMQABDE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-086983
s1c2CCC(c2nc1NC(=O)c1nnc([O-])cc1)C(=O)OCC	PC-id_75740997	333.342	XYMNPLCXJLBJGU-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-086984
s1c2CC[C@H](c2nc1NC(=O)c1nnc([O-])cc1)C(=O)OCC	PC-id_51894259	333.342	XYMNPLCXJLBJGU-SSDOTTSWSA-M	00000010100000100001000010000000000000000000000000000000	25-01-086985
s1c2CC[C@@H](c2nc1NC(=O)c1nnc([O-])cc1)C(=O)OCC	PC-id_51894261	333.342	XYMNPLCXJLBJGU-ZETCQYMHSA-M	00000010100000100001000010000000000000000000000000000000	25-01-086986
O(C(c1nc2n(n1)c([N+]#[C-])c(c2=C)C#N)CO)c1c(cc(cc1)C)C	PC-id_60065355	333.344	IDIKDSSPWJWWBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-086987
O=C(N1Cc2c([nH]nc2NC(=O)c2ccccc2)C1)c1ccncc1	PC-id_71477873	333.344	INLUZZOFXCHVHP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-086988
S1C(=CP(=O)(OC(C)C)OC(C)C)C(O)(n2ncnc12)C	PC-id_14062756	333.344	XOAQTXPIAGHAPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086989
N#CN1Cc2c(C1)[nH]nc2CNC(=O)c1[nH]nc(c1)c1ccccc1	SCHEMBL19358401	333.347	ZXMIBFUXEIZJLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-086990
CCC(n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(F)(F)F)C	SCHEMBL18854026	333.349	LTMFWILQXRRRGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-086991
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1C#N	MCULE-1186187322,EMOLS-id_331004344	333.351	PEHOOBWDSZTQGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086992
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1C#N	MCULE-7226701170,EMOLS-id_331004088	333.351	NYMZIDIOACIGLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086993
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)COCCOC	PC-id_56757420,MCULE-4810346183,EMOLS-id_36610134,ZINC22_67934429	333.357	JRTDMCPBSXFLLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-086994
C=CCS(=O)c1cc2n(c1C(=O)c1ccco1)CCC2C(=O)O	SCHEMBL10919721,PC-id_70472806	333.359	GKTQPRRNPVHORH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-086995
C=CCS(=O)c1cc2n(c1C(=O)c1cocc1)CCC2C(=O)O	PC-id_70473404,SCHEMBL10921762	333.359	RZGJMTZKLDFSII-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-086996
C=CCS(=O)c1cn2c(c1)C(CC2)(C(=O)O)C(=O)c1ccco1	SCHEMBL10818822,PC-id_70450919	333.359	ZRYXEWSFLDAPGJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-086997
COc1ccc(COC(=O)c2cc3c(s2)CCC3)cc1[N+](=O)[O-]	MCULE-8885028880,PC-id_71888065,EMOLS-id_44544392,ZINC22_60679948	333.359	KGZZWEVGWKVTCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086998
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CCC2=O	SCHEMBL2775811,PC-id_67529913	333.359	ITXMIAZMHQKWTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-086999
COC(=O)C1(CCn2c1ccc2C(=O)c1cccs1)C(=O)OC	PC-id_20073599,SCHEMBL9792222	333.359	OVAKNNARBLSBEJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087000
COC(=O)C1(CCn2c1ccc2C(=O)c1ccsc1)C(=O)OC	PC-id_20073617,SCHEMBL9792250	333.359	TXDRTWAPNOLPER-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087001
CS(=O)(=O)c1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1	CHEMBL9362,SCHEMBL11444499,PC-id_13487052	333.359	FZAMILIUEMQPJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087002
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)C	PC-id_23333063,SCHEMBL11451448	333.359	XYLUJTOVYWTIPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087003
OC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)S(=O)(=O)C	SCHEMBL10815380,PC-id_70449867	333.359	VEYWOFSXJWKNPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087004
OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C	SCHEMBL11438350,PC-id_70586075	333.359	LEYCFWSFQNBMGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087005
OC(=O)C1(CCn2c1ccc2S(=O)(=O)C)C(=O)c1ccccc1	PC-id_70587145,SCHEMBL11443412	333.359	JGDYOSMKYSJRSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087006
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)C	PC-id_42981549	333.359	BUNSNLWESHKHCE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087007
s1cc(C(=O)c2n3CC(C(c3cc2)(C)C(=O)OC(=O)O)C)cc1	PC-id_54010092	333.359	KRSCCXFDHKFLBZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087008
s1c(C(=O)c2n3CC(C(c3cc2)(C)C(=O)OC(=O)O)C)ccc1	PC-id_53763659	333.359	DJRQNBZPVAICTI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087009
S(=O)(=O)(n1c2c(c(c1C(=O)O)C)C(=O)CC2)c1ccc(cc1)C	PC-id_66891141	333.359	AKOZNPQENNMIKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087010
CCCOc1cc(F)ccc1NC(=O)N1Cc2nn(C)c(N)c2C1	MCULE-1992239157,EMOLS-id_316977010,ZINC22_952963911	333.361	NHCIXGKAJXBVQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087011
CC(Oc1ccc(c(c1)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319270617	333.361	FCPZTGICASMHPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087012
O=C(NCC(c1ccccc1F)O)NCCc1nnc2n1CCC2	PC-id_112045958	333.361	VMZZWYWSIBEVBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087013
O=C(NCC(c1ccc(cc1)F)O)NCCc1nnc2n1CCC2	PC-id_112045991	333.361	CGFFCWJFDVYOHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087014
c1(NC(=O)C(=O)NCc2ccco2)sc2c(CCC2)c1C(=O)N	MCULE-6744153689,PC-id_8070503,STOCK6S-13575,ZINC22_6757818,EMOLS-id_4744937,CoCoCo_1091537	333.362	YMWYUDFPDSAQPR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087015
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(c1)N(=O)=O)OCC	EMOLS-id_181483288,MCULE-7125195638,PC-id_84562339	333.362	YXJQHUHMBJXIIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087016
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)CC1C[n+]2n(C1)cnc2)O	PC-id_101696268	333.362	AASQKBOLESNUCV-HIAZDOBYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-087017
CCOc1cc(/C=c/2sc3nc(COC)nn3c2=O)ccc1O	EMOLS-id_324898817	333.362	DBDJKVUPFVBILV-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087018
CCOc1cccc(/C=c/2sc3nc(COC)nn3c2=O)c1O	EMOLS-id_324898820	333.362	MSAKTFJQJKHIAK-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087019
CCOC(=O)c1c(NC(=O)c2ccc(=O)[nH]n2)sc2CCCc12	MCULE-6102643926,EMOLS-id_328078596	333.362	PSCBBJAUGNUUCY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087020
COc1cc(/C=c/2sc3nc(C)nn3c2=O)cc(OC)c1OC	EMOLS-id_324840685	333.362	DDDIAGPMZDZXNG-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087021
COc1cc(cc(c1OC)OC)/C=c/1c(=O)sc2n1nc(n2)C	PC-id_101129417	333.362	HVHNSNXIJXSRRC-BJMVGYQFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087022
COCc1nc2s/c(=Cc3cccc(OC)c3OC)/c(=O)n2n1	EMOLS-id_324900868	333.362	MWVSDFJKTHMTEC-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087023
COCc1nc2s/c(=Cc3ccc(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324901376	333.362	XJPDHOSYZYCPPT-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087024
COCc1nc2s/c(=Cc3cc(OC)ccc3OC)/c(=O)n2n1	EMOLS-id_324901380	333.362	VXOJZQDWXSOATG-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087025
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COC	MCULE-1343763941	333.362	MWVSDFJKTHMTEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087026
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)COC	MCULE-9390954208	333.362	XJPDHOSYZYCPPT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087027
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)O)c2=O)COC	MCULE-1825369189	333.362	DBDJKVUPFVBILV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087028
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COC	MCULE-5766421081	333.362	MSAKTFJQJKHIAK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087029
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)C	MCULE-3395533782	333.362	DDDIAGPMZDZXNG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087030
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)COC	MCULE-4286749007	333.362	VXOJZQDWXSOATG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087031
N#Cc1nc2n(c1C)C[C@H](O2)COS(=O)(=O)c1ccc(cc1)C	PC-id_140261717	333.362	PQNLASJPPNJJDO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087032
N#Cc1nc2n(c1C)CC(O2)COS(=O)(=O)c1ccc(cc1)C	PC-id_140261625	333.362	PQNLASJPPNJJDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087033
O=C(c1ccc(nc1)OC1COCC1)Nc1onc2c1CSC2	PC-id_92083239	333.362	GDSUKTUBTMYKLU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087034
O=C(c1ccnc(c1)OC1COCC1)Nc1onc2c1CSC2	PC-id_92083711	333.362	CMJQJUJUWJEKKK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087035
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1nnc(C2CC2)o1	MCULE-6688256032,ZINC22_95349974,PC-id_75403084,EMOLS-id_48213205	333.362	PDTLHGNFXQAZMU-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-087036
s1c2CCCc2cc1C(=O)NNC(=O)CNC(=O)c1occc1	PC-id_27684701	333.362	LLDJIBARLBORCA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087037
s1c2CCCc2cc1C(=O)NNC(=O)C(=O)NCc1occc1	PC-id_8202870	333.362	AHLAEIRZGBWAHF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087038
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]ccc1)C(=O)N	PC-id_8546091	333.362	PAPBJFRCTWKJDP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-087039
S1C(C(=O)n2c1nnc2)C=Cc1cc(OC)c(OC)c(OC)c1	PC-id_18891884	333.362	BURLEGPYQCHXRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087040
CSc1ccc(C(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-]	ZINC22_12802840,EMOLS-id_16806389,MCULE-6499934033,PC-id_25523614,CoCoCo_4474337	333.366	FSSBCJXNOMMFOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087041
CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nnc3n2CCC3)c1	PC-id_40124256,EMOLS-id_25015687,CoCoCo_4560533,MCULE-5930593158,ZINC22_32889119	333.366	AVHHHPQOJPUMFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087042
CS(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)C=Cc1ccncc1	SCHEMBL2914036,PC-id_87454877,SCHEMBL2914038	333.366	ITACVODFPXYSJY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087043
CS(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)C=Cc1cnccc1	PC-id_87455445,SCHEMBL2919182,SCHEMBL2919183	333.366	PEBNYJDUPKGBHX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087044
O=C(c1ccc(nn1)N1CCOCC1)Nc1onc2c1CSC2	PC-id_121028173	333.366	ZPBVNMHDMMLSSO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-087045
O=C(Nc1[nH]nc2c1CN(C2)C(=O)N)CCC(=O)c1cccs1	PC-id_68443014,SCHEMBL2924937	333.366	MEUPDTKKBKGOHL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087046
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)/C=Cc1cccnc1	SCHEMBL2919181	333.366	PEBNYJDUPKGBHX-PLNGDYQASA-N	00000010100000101001000010000000000000000000000000000000	25-01-087047
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)/C=Cc1ccncc1	SCHEMBL2914033	333.366	ITACVODFPXYSJY-IHWYPQMZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087048
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)/C=C/c1ccccc1	PC-id_68441710,SCHEMBL2921770	333.366	KEMOTFKGLFJKFD-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087049
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)C=Cc1ccccc1	SCHEMBL2921774,PC-id_68441711	333.366	KEMOTFKGLFJKFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087050
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)/C=Cc1ccccc1	SCHEMBL2923038	333.366	KEMOTFKGLFJKFD-SREVYHEPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087051
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)C(C(F)(F)F)O	PC-id_112329137	333.369	OBWKPMIQLHZUMT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087052
O=C(Nc1nc2c(s1)CCC2)C1CCN(CC(F)(F)F)CC1	MCULE-8043349210,PC-id_75414994,ZINC22_47298421,EMOLS-id_48773333	333.372	DGCIOOHHAQETEH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087053
O=C(NCc1nc2c(s1)CCC2)N1CCC(C(F)(F)F)CC1	ZINC22_924587948	333.372	RDPIORZYDXVJPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087054
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_96737,ChEMBL-DNDi_CHEMBL1000-0696,STOCK1S-80688,PC-id_680597,MCULE-5582515340,ZINC22_45216,EMOLS-id_1243994,TIMTEC223092	333.377	IQQDLSQIJBACEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087055
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)OCC	STOCK1S-73082,EMOLS-id_1857139,PC-id_675218,CoCoCo_682896,MCULE-3596521491,SCHEMBL8290769,ZINC22_37976	333.377	ISJJTDAMKHRHHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087056
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_703455,ZINC22_86588,MCULE-6107707080,EMOLS-id_2365925	333.377	GFBUPZSXGFVZQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087057
Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1F	CoCoCo_2840737,ZINC22_6790207,EMOLS-id_3452209,PC-id_4799902,MCULE-4263713937	333.377	UWOHZWQRKWXHRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087058
CC(C(=O)Nc1ccccc1F)OC(=O)c1sc2c(c1)CCC2	EMOLS-id_29943172,PC-id_17535099,MCULE-9519233329	333.377	RRZYDABXOIHVLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087059
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccccc1F	CoCoCo_2840838,ZINC22_4581463,PC-id_7291878	333.377	RRZYDABXOIHVLE-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-087060
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccccc1F	ZINC22_4581465,PC-id_7291881,CoCoCo_2840839	333.377	RRZYDABXOIHVLE-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087061
Cn1nc2c(c1NS(=O)(=O)c1cscc1C(F)F)CCC2	EMOLS-id_316950772,ZINC22_903615102,MCULE-1442359037,PC-id_136569911	333.377	SAXBSWPTAAMMCN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087062
Fc1ccc(cc1)C(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_121887341,EMOLS-id_72486800,MCULE-4936972524	333.377	KYWAEUGMMAYMKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087063
Fc1ccc(cc1)C(C(=O)O)(NC(=O)c1sc2c(c1)CCC2)C	PC-id_121973231	333.377	RVYRQJRWVONNOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087064
O=C(c1sc2c(c1)CCC2)NC(c1ccc(c(c1)C)F)C(=O)O	EMOLS-id_72630575,MCULE-2768858951,PC-id_121960834	333.377	LBAHHBWAUOVGGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087065
OC(=O)CC(c1ccc(cc1)F)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_50925799,MCULE-3970140047	333.377	VQOBREHSTXBPCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087066
OC(=O)CN(C(=O)c1sc2c(c1)CCC2)Cc1ccc(cc1)F	PC-id_121939936,EMOLS-id_72588837,MCULE-1439139673	333.377	DXHKMVRKWRLGQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087067
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(F)cc1)C	PC-id_78469340	333.377	ZEQATHOMYARGMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087068
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc(F)ccc1)C	PC-id_78674813	333.377	DTIAZDRFOLSCGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087069
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(F)cc(cc1)C	PC-id_7623619	333.377	BTJTXCLDYRPDMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087070
s1c2CCCc2cc1C(=O)OCC(=O)NCc1ccc(F)cc1	PC-id_7291817	333.377	WKRNYGRUUNJUTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087071
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)C	PC-id_7291933	333.377	ZEQATHOMYARGMK-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-087072
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)C	PC-id_7291934	333.377	ZEQATHOMYARGMK-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087073
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(F)ccc1)C	PC-id_8359091	333.377	DTIAZDRFOLSCGU-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-087074
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(F)ccc1)C	PC-id_8359092	333.377	DTIAZDRFOLSCGU-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087075
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(F)cc1)C(=O)OC	PC-id_7597246	333.377	QALFPPLVHVPKDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087076
Fc1ccc(cc1F)N1CCC(C1)CNC1CC(n2c1ncn2)C	MCULE-9711232717,EMOLS-id_318422916	333.379	YVTATAQELLXJQR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087077
CCc1c(n2CC=C(c2c1)C(=O)OCC)C(=O)c1ccc(cc1)C#C	SCHEMBL10818562,PC-id_88673134	333.38	ZHTRLQIONDEAKH-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-087078
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CC=C2C(=O)O	PC-id_88672744,SCHEMBL10816676	333.38	FWZZMJAXCPUWSO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-087079
Oc1ccc(cc1)c1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1004854,PC-id_59180120	333.38	SJMFTGACRJMDEI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-087080
s1c2c(CCC2)c(c1NS(=O)(=O)CCC(=O)OC)C(=O)O	PC-id_61458312	333.381	GXKWOBPMZWXYTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087081
s1c2c(CCC2)c(c1NS(=O)(=O)C(C)C(=O)OC)C(=O)O	PC-id_61458794	333.381	HLWABQBSQYJQAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087082
s1c2c(CCC2)c(c1NS(=O)(=O)CCC(=O)O)C(=O)OC	PC-id_43362041	333.381	GRBREACJVNPARZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087083
s1c2c(CCC2)c(c1NS(=O)(=O)C(C)C(=O)O)C(=O)OC	PC-id_61454814	333.381	HXWRTEGDMJOXTA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087084
s1c2c(CCC2)c(c1NS(=O)(=O)CC(=O)OCC)C(=O)O	PC-id_61456816	333.381	AGDBSNXQHLLDEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087085
s1c2c(CCC2)c(c1NS(=O)(=O)CC(=O)O)C(=O)OCC	PC-id_43362170	333.381	NOTNGUFTDVXGFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087086
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCC	PC-id_16947199	333.381	OYYVEQWEQMGQRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087087
CCc1ccc(o1)CN1Cc2c(C1)nc(o2)COCC(=O)N(C)C	PC-id_97520324	333.382	NKTQGSVHUPMHKU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-087088
CC(=O)NCC(=O)N1CCCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_318077270	333.382	WQGDTWTUNOXFNL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087089
O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cnc4n3CCC4)CC2)O1	EMOLS-id_316097987,MCULE-3191333406,ZINC22_1775960172	333.382	WCWOJDDKBIJJRD-UONOGXRCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087090
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)N	PC-id_74682819	333.382	IVNSPHHAGLJRNW-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-087091
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)N	PC-id_40437367	333.382	IVNSPHHAGLJRNW-DTWKUNHWSA-M	00000010100011000000000010000000000000000000000000000000	25-01-087092
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)N	PC-id_40470793	333.382	IVNSPHHAGLJRNW-BDAKNGLRSA-M	00000010100011000000000010000000000000000000000000000000	25-01-087093
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)N	PC-id_40470795	333.382	IVNSPHHAGLJRNW-IUCAKERBSA-M	00000010100011000000000010000000000000000000000000000000	25-01-087094
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)N	PC-id_40470796	333.382	IVNSPHHAGLJRNW-RKDXNWHRSA-M	00000010100011000000000010000000000000000000000000000000	25-01-087095
c1(C(=O)Nc2cccc(c2)OCc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_335130684,MCULE-2627205982	333.384	WWLMFFUCYOBHRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087096
c1(C(=O)Nc2ccc(cc2)OCc2ccccc2)c2CCCc2[nH]n1	PC-id_110388940,MCULE-5959088752,EMOLS-id_179744888	333.384	PGRXITQDOSKENC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087097
c1(C(=O)Nc2ccc(cc2)OCc2ccccc2)cn2c(CCC2)n1	EMOLS-id_321297628,MCULE-6154505845	333.384	PKKNOEDBSUBRJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087098
CC(=O)Nc1ccc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)cc1	ZINC22_65593026,PC-id_53549556	333.384	ZOHUZSOKTBTYGR-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087099
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(cccn1)O	EMOLS-id_328222580,MCULE-1292022452	333.384	BVFSDHVVGIJFDN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-087100
N#Cc1c2CCCn2c(c1C(=O)C=Cc1ccc(cc1)NC(=O)C)C	MCULE-6814814893,PC-id_72043603,EMOLS-id_35772517	333.384	ZOHUZSOKTBTYGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087101
N#Cc1c2CCCn2c(c1C(=O)/C=Cc1ccc(cc1)NC(=O)C)C	PC-id_97464417	333.384	ZOHUZSOKTBTYGR-YFHOEESVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087102
O=C(Nc1n(nc2c1CCC2)C)c1ccc(Oc2ccccc2)cc1	PC-id_45536307	333.384	OQBDUMAIPGPPGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087103
O=C(Nc1n(nc2c1CCC2)C)c1cc(Oc2ccccc2)ccc1	PC-id_45536305	333.384	SMVBPVJYQLUUTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087104
O=C(NCc1ccccc1)c1nc2c(o1)CN(Cc1ccccc1)C2	ZINC22_96266016,PC-id_97525778	333.384	OAQUQWRBFDOTCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087105
CC(NC(=O)C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_110386677	333.386	ZIYADOZKNFOPAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087106
COC(=O)c1c(NC(=O)NCC2=CCN(CC2)C)nc2n1CCC2	EMOLS-id_319229169	333.386	XDIDSHMWURRLRZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-087107
O=C(N1CCN(CC1)C(=O)C1CCCO1)NC1CCn2c1ncc2	EMOLS-id_319635142	333.386	YPITXBOOVMZOPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087108
O=C(NCC(c1ccc(o1)C)(O)C)NCCc1nnc2n1CCC2	PC-id_112046003	333.386	VIYIWEBHSUICFE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-087109
c1(CN(C)C(=O)c2ccc(cc2)c2cncnc2)c2CCCc2[nH]n1	ZINC22_426427866,MCULE-6477638302,PC-id_121498775,EMOLS-id_177393601	333.387	ABMGUWPAXZOGLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087110
c1(C(=O)NCCc2nccc(c3ccccc3)n2)c2CCCc2[nH]n1	MCULE-4756495218,ZINC22_215515806,EMOLS-id_49878664,PC-id_77085551	333.387	SWVWRCQPZGXPLV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087111
Cc1ccc(nn1)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320084105,MCULE-2811361536	333.387	DKQZUDSNRFUVJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087112
Cc1cc(NC(=O)c2c3c(nn2C)CCC3)nc(c2ccccc2)n1	ZINC22_904982000,MCULE-7176416213,EMOLS-id_316972541	333.387	NKZXJRDQQRJRAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087113
Cc1nc(c2ccccc2)ccc1C(=O)NCc1nnc2n1CCC2	PC-id_17453090,CoCoCo_4560532,ZINC22_14140543,EMOLS-id_13478460,MCULE-2947139287	333.387	BHZBVFWSJLMTFI-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-087114
CC(N1Cc2c(C1)c([nH]n2)NC(=O)c1cccnc1)c1ccccc1	PC-id_68442889,SCHEMBL2924619	333.387	GBJDTGDXIZQFSB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087115
CC(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccncc1)c1ccccc1	PC-id_68443022,SCHEMBL2924958	333.387	REMCULVWBLZSEG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087116
O=C(c1ccccn1)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68440424,SCHEMBL2917779	333.387	VIJPOQLRBPKHGG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087117
O=C(c1ccccn1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68440426,SCHEMBL2917781	333.387	XUOAZWPBOGCSID-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087118
O=C(c1cccnc1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68441421,SCHEMBL2920876	333.387	UQXOGVGPDYOHJF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087119
O=C(c1ccncc1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2924959,PC-id_68443023	333.387	VMROWEBZADYGEM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087120
O=C(c1cnc(nc1C)c1ccccc1)NCc1cnc2n1CCC2	MCULE-2622840413,EMOLS-id_320251172	333.387	DQJOSVNDGMXUCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087121
O=C(c1cnc(nc1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318951526	333.387	LHOYTOCITQYLRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087122
O=C(c1n(C)nc2c1CCC2)NCc1cccc(n1)c1ccccn1	EMOLS-id_319192917	333.387	SIOPCIJZQMVMTQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-087123
O=C(NCc1n2CCCc2nn1)c1c(Nc2ccccc2)cccc1	PC-id_30093817	333.387	FRPOSVSINARCQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087124
O=C(NCc1n2CCCc2nn1)Nc1ccc(c2ccccc2)cc1	PC-id_52591683	333.387	NBYBQDNQVDSBPW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087125
c1(NC(=O)CSc2nncc(=O)[nH]2)sc2c(CCC2)c1C#N	CoCoCo_1105871,CoCoCo_1105870,PC-id_135888161,MCULE-7081380762,EMOLS-id_13131159,ZINC22_11905427	333.389	CSXJPHULWJTOOP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087126
O=C(N1CCNCC1)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319379401	333.389	POKJCWLZTIRENV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087127
CC1CC(c2n1ccn2)NS(=O)(=O)CC1CCCCC1(F)F	EMOLS-id_101317273	333.397	IKKMDKPNZRDIHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087128
FC1(F)CCCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100578673	333.397	QVFDCSVGANGNRK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087129
FC(C1CCC(CC1)S(=O)(=O)NCc1nn2c(c1)CCC2)F	EMOLS-id_320082985,MCULE-7858807667	333.397	IJOAIMLURNEIFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087130
FC(C1CCC(CC1)S(=O)(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_319857474	333.397	ZIMGMBANCVOBOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087131
CCOC(=O)c1c(CC(=O)NCc2ccco2)sc2c1CCC2	MCULE-3941408110,CoCoCo_6062872,EMOLS-id_15765516,ZINC22_26895474,PC-id_34177153	333.402	YRAQMUZKXNECMY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087132
CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc2CCCc12	PC-id_46094779,EMOLS-id_25508634,MCULE-6635882610	333.402	JEZNREBEZVTNSE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087133
s1c2CCCc2cc1C(=O)Nc1cc(OC)c(OC)c(OC)c1	PC-id_26101732	333.402	VLYIVRYTEYUUED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087134
s1c2c(CCC2)c(c1N=CC1C(=O)CCCC1=O)C(=O)OCC	PC-id_23962165	333.402	MENOPBBZMRKALD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087135
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(C)C	PC-id_24664200	333.402	VUXQTBIRRNSHFS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087136
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCCCC	PC-id_24664205	333.402	QFFWXFMAOADZFF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087137
Cc1ccccc1C[n+]1ccc([C@@H](O)[C@H]2Cn3cccc3C2=O)cc1	CoCoCo_4397270,PC-id_41095943,ZINC22_9498965,GD-id_ZINC09498965	333.404	AUWRCNIWUAIITK-UYAOXDASSA-N	00000010100000111000000010000000000000000000000000000000	25-01-087138
Cc1ccccc1C[n+]1ccc([C@@H](O)[C@@H]2Cn3cccc3C2=O)cc1	PC-id_41095938,CoCoCo_4397269,ZINC22_9498957	333.404	AUWRCNIWUAIITK-AZUAARDMSA-N	00000010100000111000000010000000000000000000000000000000	25-01-087139
Cc1ccccc1C[n+]1ccc([C@H](O)[C@H]2Cn3cccc3C2=O)cc1	PC-id_41095942,ZINC22_9498962,CoCoCo_4397268	333.404	AUWRCNIWUAIITK-QUCCMNQESA-N	00000010100000111000000010000000000000000000000000000000	25-01-087140
Cc1ccccc1C[n+]1ccc([C@H](O)[C@@H]2Cn3cccc3C2=O)cc1	ZINC22_9498951,CoCoCo_4397267,PC-id_41095936	333.404	AUWRCNIWUAIITK-ICSRJNTNSA-N	00000010100000111000000010000000000000000000000000000000	25-01-087141
Cc1c(C[n+]2ccc(C(C3C(=O)c4n(ccc4)C3)O)cc2)cccc1	MCULE-9228137744,PC-id_16314788	333.404	AUWRCNIWUAIITK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-087142
c12CN(Cc1cnn2CCO)C(=O)c1ccc(C2CCCO2)s1	PC-id_56740971,EMOLS-id_36570221,MCULE-5033851086	333.405	SDYDRPPTNFZPGZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-087143
c12SCCn1cc(CNC(=O)C(O)COc1ccccc1C)n2	EMOLS-id_289997150,MCULE-7178670816	333.405	KONPKAFWFYGKBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087144
c1(c(C)[nH]c(C(=O)OCC)c1C)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_49402747,ZINC22_95473491,MCULE-4937920234,EMOLS-id_48563408,STOCK7S-40629,PC-id_71702046	333.405	LDQJKSUTDCIZKV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-087145
c1(NC(=O)c2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBL1484352,CHEMBL1484352,PC-id_3633964,MCULE-9084102239,ZINC22_9391517,EMOLS-id_5438315,CoCoCo_4982156	333.405	CEFUKRCJOHLRHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087146
c1(NC(=O)c2ccn(CC)n2)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL1559548,ZINC22_204353,MCULE-4275977174,PC-id_752809,CK1119745,EMOLS-id_2575678,CoCoCo_1849862,CHEMBL1559548,TIMTEC163454	333.405	GCASPVCPPKSKBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087147
c1(NC(=O)c2cc(nn2C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_24897551,ZINC22_9122434,CoCoCo_5126181,PC-id_16952748,MCULE-1397337127	333.405	IMRMOWCTCCTROS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087148
c1(NC(=O)C2CC(=O)N(CCOC)C2)sc2c(CCC2)c1C#N	PC-id_108805643,EMOLS-id_182631484,MCULE-3478024749	333.405	CKOFQSADFIVTKV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087149
c1(NC(=O)Cc2ccc(cc2OC)OC)n(C)nc2CSCc12	MCULE-2581628941,EMOLS-id_334563507	333.405	ZPOBAAWAIJCZMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087150
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)C)n(C)nc2CCCc12	PC-id_45502065,MCULE-9627041398,EMOLS-id_28214691,CoCoCo_5273034,ZINC22_36704275	333.405	ZIEGUFBWYOZENC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087151
c1(NC(=O)Cc2ccc(c(OC)c2)OC)n(C)nc2CSCc12	EMOLS-id_36794117,ZINC22_72401644,STOCK7S-25397,MCULE-7462784967,PC-id_60175740	333.405	YMOZEKCACJJYNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087152
c1(NC(=O)Cc2cc(OC)ccc2OC)n(C)nc2CSCc12	MCULE-5000376390,EMOLS-id_334562739	333.405	HKDDRDDFCRABHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087153
c1(NC(=O)Cc2nccn2C)sc2c(CCC2)c1C(=O)OCC	ZINC22_4678559,CoCoCo_6051157,PC-id_5169720,MCULE-4200700342,EMOLS-id_6107940	333.405	MPLBVHNNKLUCBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087154
c1(NC(=O)CCS(=O)(=O)c2ccccc2)n(C)nc2CCCc12	ZINC22_38510613,EMOLS-id_43484293,MCULE-1403559095,PC-id_45536324	333.405	CYVVPVCYUNYHHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087155
c1(NC(=O)COc2ccccc2OCC)n(C)nc2CSCc12	EMOLS-id_334561980,MCULE-2002504249	333.405	OORSCAPQMCVFNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087156
Cc1ccccc1OC[C@@H](O)C(=O)NCc1cn2c(n1)SCC2	ZINC22_952967400	333.405	KONPKAFWFYGKBD-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087157
Cc1ccccc1OC[C@H](O)C(=O)NCc1cn2c(n1)SCC2	ZINC22_952967401	333.405	KONPKAFWFYGKBD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087158
Cc1ccc(C(=O)NCc2n[nH]c3c2CCC3)cc1S(=O)(=O)C	MCULE-7962736858,EMOLS-id_317026626,ZINC22_1775990674	333.405	AGOLFRHWCNLDQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087159
CC[C@@H](c1ccccc1)S(=O)(=O)NC(=O)c1cnn2c1CCC2	ZINC22_835464597	333.405	IYLCEVYFJGTFHN-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087160
CC[C@H](c1ccccc1)S(=O)(=O)NC(=O)c1cnn2c1CCC2	ZINC22_835464600	333.405	IYLCEVYFJGTFHN-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087161
CC(C)n1cc(CNC(=O)c2cc3c(s2)CCC3)c(O)nc1=O	EMOLS-id_319235310,ZINC22_1548773412	333.405	WPHANONWJOOBOF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087162
CCC(S(=O)(=O)NC(=O)c1cnn2c1CCC2)c1ccccc1	EMOLS-id_316922475,MCULE-5539042489	333.405	IYLCEVYFJGTFHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087163
C[C@H](NCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccco1	PC-id_8919087,CoCoCo_4129552,ZINC22_7800487	333.405	SXFMMSLDDQXXFK-VIFPVBQESA-N	00000010101000000000000010000000000000000000000000000000	25-01-087164
C[C@@H](NCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccco1	PC-id_8919091,CoCoCo_4129553,ZINC22_7800490	333.405	SXFMMSLDDQXXFK-SECBINFHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087165
CCS(=O)(=O)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319263140	333.405	AJOQBJDCTNKHDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087166
CCS(=O)(=O)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319862019	333.405	UHFLHYZMSLPKND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087167
Cn1c(c2CCCc2n1)C(=O)N(C)c1ccccc1S(=O)(=O)C	PC-id_136570011	333.405	UCMIBUZJDIIWIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087168
Cn1c(c2CCCc2n1)C(=O)N(C)c1cc(ccc1)S(=O)(=O)C	PC-id_136570255,EMOLS-id_316964850	333.405	CEKOVDJCCMVMIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087169
Cn1cc(c(n1)C)CC(C(=O)O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_318983884	333.405	BHDDOCMYTKJKEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087170
CN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1ccco1	ZINC22_8199364,PC-id_9334355,EMOLS-id_11991389,MCULE-8575436434,CoCoCo_3592445,CoCoCo_3592446	333.405	JUQLBDUMIDUNQX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087171
CNC(=O)CCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	CHEMBL1821915,PC-id_56672162	333.405	DFLPWWIAXCMVQF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-087172
CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_190049102,EMOLS-id_112033577,MCULE-5666085549	333.405	YDFCJHSVGNNLTL-VXGBXAGGSA-N	00000010100000000001100010000000000000000000000000000000	25-01-087173
CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc3c(s2)CCC3)C1	MCULE-2519133646,EMOLS-id_316107794,ZINC22_1775959174	333.405	LZRPLOLDCQKEKC-NWDGAFQWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-087174
OC1CC(N(C1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_101964393	333.405	KNUGHFUFZZJQLP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087175
O=C(c1cc(ccc1C)S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_319773539	333.405	KIEZVWLTDKEBKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087176
O=C(c1cccc(c1)CS(=O)(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319401232	333.405	WGOMBVXEHTYSEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087177
O=C(c1cc(ccc1C)S(=O)(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319580399	333.405	NQGYEVYMJLLVFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087178
O=C(c1ccc(cc1)CS(=O)(=O)C)NCc1n[nH]c2c1CCC2	MCULE-6377259572,EMOLS-id_319924576	333.405	CKQUEYINABLJPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087179
O=C(c1ccc([C@@H]2CCCO2)s1)N1Cc2cnn(CCO)c2C1	PC-id_95193464,ZINC22_67562651	333.405	SDYDRPPTNFZPGZ-ZDUSSCGKSA-N	00000010100100000001100010000000000000000000000000000000	25-01-087180
O=C(c1ccc([C@H]2CCCO2)s1)N1Cc2cnn(CCO)c2C1	PC-id_95193466,ZINC22_67562655	333.405	SDYDRPPTNFZPGZ-CYBMUJFWSA-N	00000010100100000001100010000000000000000000000000000000	25-01-087181
OCc1cc(CCNC(=O)Nc2sc3c(n2)CCC3)ccc1O	EMOLS-id_319920819,MCULE-9348431818	333.405	SSXJMVZZALURSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087182
O=C(Nc1sc2c(c1C(=O)N)CCC2)CNC(c1ccco1)C	MCULE-8885049586,EMOLS-id_13484676,PC-id_17448592	333.405	SXFMMSLDDQXXFK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087183
O=S(=O)(c1ccc(cc1)OC1CCCC1)N1Cc2c(C1)cn[nH]2	MCULE-4794367358,EMOLS-id_320180095	333.405	AQUFUFHQIKKTHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087184
O=S(=O)(c1cnc2n1CCC2)N1CCOC(C1)c1ccccc1	EMOLS-id_100184307	333.405	BDVXTRIZMIHBOL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087185
O=S(=O)(c1cnc2n1CCC2)N1CCOCC1c1ccccc1	EMOLS-id_100225996	333.405	CXKAJFHTTVOSBK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087186
O=S(=O)(C1(COCc2ccccc2)CC1)N1Cc2c(C1)cn[nH]2	EMOLS-id_279066036	333.405	JKTOQQRAFUCHSJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-087187
O=S(=O)(N1CCn2c1ncc2)c1ccc(cc1)OC1CCCC1	EMOLS-id_316725491	333.405	ISAPEZBBTJIYPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087188
s1c2CCCc2cc1C(=O)NN=C(c1sc(cc1)C(=O)[O-])C	PC-id_84845818	333.405	IEJHBMABPRTQNC-UHFFFAOYSA-M	00000010100100000000000010000000000000000000000000000000	25-01-087189
s1c2CCCc2cc1C(=O)N/N=C(c1sc(cc1)C(=O)[O-])/C	PC-id_8826627	333.405	IEJHBMABPRTQNC-PXNMLYILSA-M	00000010100100000000000010000000000000000000000000000000	25-01-087190
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(n(nc1C)C)C	PC-id_8095843	333.405	GXYUXMNIWMNJRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087191
s1c2c(CCC2)c(c1NC(=O)c1n(nc(c1)C)CC)C(=O)OC	PC-id_49695867	333.405	GOPWKFJTYHOKDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087192
s1c2c(CCC2)c(c1NC(=O)c1nn(c(c1)C)CC)C(=O)OC	PC-id_49697445	333.405	ORVLHBJDNLQINR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087193
s1c2c(CCC2)c(c1NC(=O)c1nn(c(c1)C)C)C(=O)OCC	PC-id_16952141	333.405	ZRKBWHZDCZQJSL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087194
s1c2c(CCC2)c(c1NC(=O)c1n(ncc1)CC)C(=O)OCC	PC-id_49695155	333.405	RIONEYUXJJRQPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087195
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)O)C#N	PC-id_28335332	333.405	GOHMKJOKNGNRQR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087196
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)O)C#N	PC-id_82026183	333.405	IOLCRPABTPFCOI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087197
s1c2CCCc2nc1NC(=O)c1[nH]c(c(c1C)C(=O)OCC)C	PC-id_33039792	333.405	SYPUIFHTLFPWIT-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-087198
s1c2CCCc2nc1NC(=O)c1[nH]c(c(c1C)C(=O)OC)CC	PC-id_33039924	333.405	WUSWZQRRQYWNMW-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-087199
S1Cc2c(noc2NC(=O)Nc2ccc(OCCCC)cc2)C1	PC-id_49719392	333.405	LZAMTHLUEUWBQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087200
S(=O)(=O)(c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1)CC	PC-id_45536341	333.405	LYSLIEZKPOAZGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087201
S(=O)(=O)(c1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1)CC	PC-id_45536337	333.405	HEMFLCKFLONGLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087202
Cc1ccccc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324836596	333.407	VDTZJBWLNJPSQQ-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087203
Cc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324835571	333.407	AHJQEMYNXWVDJO-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087204
Cc1ccc(/C=c/2sc3nnc(Cc4ccccc4)n3c2=O)cc1	ZINC22_13547108	333.407	FQIIPQZSXWQZPU-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087205
Cc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324835572	333.407	OKXVBPBWVKIBPG-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087206
Cc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_328090463	333.407	BZVUVXATDULGJW-NTEUORMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087207
C(=Cc1ccc(C)cc1)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8580111255	333.407	BZVUVXATDULGJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087208
n12nc(nc1sc(=Cc1ccc(cc1)c1ccccc1)c2=O)CC	MCULE-8660947429	333.407	SCFNUMYNSLFHES-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-087209
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCc1ccccc1	MCULE-7733827621	333.407	PKILOMGWKDKPIM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087210
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)Cc1ccccc1	MCULE-2313893551	333.407	AHJQEMYNXWVDJO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087211
n12nc(nc1sc(=Cc1ccccc1C)c2=O)Cc1ccccc1	MCULE-4738691840	333.407	VDTZJBWLNJPSQQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087212
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)Cc1ccccc1	MCULE-2428070150	333.407	OKXVBPBWVKIBPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087213
n1(cccc1)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3720198910,EMOLS-id_327952478	333.407	QBVUZJGTAMJITA-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-087214
O=c1n2nc(CCc3ccccc3)nc2s/c/1=Cc1ccccc1	EMOLS-id_324839157	333.407	PKILOMGWKDKPIM-SSZFMOIBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087215
s1c2c(CCC2)c(c1NC=C(C#N)C#N)C(=O)c1ccc(cc1)C	PC-id_8198578	333.407	RIPXZJVGMFKJDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087216
c1(C(=O)NCc2csc(N3CCOCC3)n2)c2CCCc2[nH]n1	MCULE-5862561801,PC-id_77094195,EMOLS-id_49893599,ZINC22_216207876	333.409	SOAFOEVRAZJZLH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087217
Cc1nc([C@H]2CCCN2CC(=O)Nc2nc3c(s2)CCC3)no1	PC-id_97008720,ZINC22_84280905	333.409	LTTVDNLWVXSUAD-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-087218
Cc1nc([C@@H]2CCCN2CC(=O)Nc2nc3c(s2)CCC3)no1	ZINC22_84280903,PC-id_97008719	333.409	LTTVDNLWVXSUAD-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-087219
Cc1nc(COCc2n[nH]c3c2CN(C(=O)NC2CC2)C3)cs1	EMOLS-id_44372030,ZINC22_96260240,PC-id_97520317	333.409	JMSPLYNKVZPAHF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-087220
CC(C)(NC(=O)c1cccs1)C(=O)NCc1nnc2CCCn12	ZINC22_55393640,EMOLS-id_32230174,PC-id_50982194,MCULE-6241801087	333.409	MKYTZALORYNTHF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087221
CCCNC(=O)Cc1csc(NC(=O)[C@@H]2CCc3c[nH]nc23)n1	ZINC22_1875274455	333.409	ZYPCXPBYMRHCGN-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087222
CCCNC(=O)Cc1csc(NC(=O)[C@H]2CCc3c[nH]nc23)n1	ZINC22_1875274456	333.409	ZYPCXPBYMRHCGN-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-087223
CCC(=O)N1CCCC(C1)C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_110839066	333.409	BKGIPVNPCDCRIJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087224
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)CCc1cccs1	SCHEMBL2913598,PC-id_68438816	333.409	AUJKKOUCQACTJV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087225
Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1nccs1)C2	ZINC22_96066723,PC-id_97389063,EMOLS-id_46160311	333.409	ULZWQXLLXVDPQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087226
CSc1ccc(c(c1)OC)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319234387	333.409	MIHCKHFCACLVHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087227
O=C(C1(CCOCC1)Cc1[nH]nnc1)Nc1sc2c(n1)CCC2	EMOLS-id_319668929	333.409	AWBPRWPBDMXGNI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087228
O=C(c1n[nH]c2c1CCC2)Nc1scc(n1)CN1CCOCC1	EMOLS-id_97742247	333.409	NGZCPJQMPHECSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087229
O=C(c1sc(nc1C)C1COCC1)NC1CC(n2c1ncn2)C	MCULE-9009650607,EMOLS-id_320007357	333.409	IVTWUKCDDFUKTH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-087230
O=C(CN1CCCC1c1noc(n1)C)Nc1sc2c(n1)CCC2	PC-id_71880699,MCULE-6720730373,EMOLS-id_44563019	333.409	LTTVDNLWVXSUAD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-087231
O=C(Nc1sc2c(n1)CCC2)Cc1nnc([nH]1)C1CCOCC1	EMOLS-id_319680439	333.409	UUTBTZDXFBSPLO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087232
O=S1CCN(C(C1)c1cnn(c1)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100767166	333.409	RRCOETYDCDDQGL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087233
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)c1ccccn1	EMOLS-id_100180238	333.409	LTXUCIFRMWYJGK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-087234
O=S(=O)(c1cnc2n1CCC2)N1CCNCC1c1cccnc1	PC-id_120876702	333.409	OEVIKQNBKQLIBO-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-087235
c1(NC(=O)C2(CCCCC2)n2cnnn2)n(C)nc2CSCc12	EMOLS-id_35782457,ZINC22_61717470,MCULE-1050781357,PC-id_52897458,STOCK7S-11485	333.412	QYXYYDONCNHYEX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087236
CCc1nsc(n1)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319080736	333.412	PMQSUIOISNYQIA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087237
O=C(C(Sc1nnnn1C1CC1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98830174	333.412	NGUOAMQTSXDTNY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-087238
s1ncc(OCC)c1NN=C1c2n(N=C1C)c(nn2)CCCC	PC-id_59791349	333.412	VMOZKICDANBKGZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-087239
c1(NC(=O)Cc2ccc(cc2)F)c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBL1559692,EMOLS-id_4932529,PC-id_3311904,MCULE-7390976593,CoCoCo_4980066,CHEMBL1559692,ZINC22_4087656,SCHEMBL4881785	333.424	IUHLLPDTKUKMRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087240
c1(NC(=O)CCCSc2ccc(cc2)F)n(C)nc2CCCc12	PC-id_30859144,CoCoCo_5273029,MCULE-3270714834,ZINC22_23135710,EMOLS-id_24910428	333.424	RHGGDHFBOZWQGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087241
CCOC(CNC(=O)c1cc2CS(=O)(=O)Cc2s1)OCC	EMOLS-id_24385119,MCULE-5833026505,PC-id_46260565,CoCoCo_2175340,ChEMBL-DNDi_CHEMBLC771-0007	333.424	BCPMIQQZCMILAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087242
Fc1cc(NCc2sc3c(n2)CCC3)cc(c1)N1CCOCC1	EMOLS-id_318194699,MCULE-8312551411	333.424	GEHMMWOKCXTGRJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087243
s1c2c(CCC2)c(c1NS(=O)(=O)CCOC(C)C)C(=O)O	PC-id_79592416	333.424	RNVRYGVMXZUBHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087244
c1(C(=O)NCC2CCC(CC2)C(=O)OC(C)C)c2CCCc2[nH]n1	EMOLS-id_335147063,MCULE-7269289259	333.425	VQUDKVUNNOJFHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087245
c1(NC(=O)C=Cc2cccs2)sc2c(CCC2)c1C(=O)OC	MCULE-7636077466,PC-id_897943	333.425	HFADNTABYIDCTJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087246
CC1CCC(C(C1)C1CCCCN1C(=O)c1nn2c(c1)OCC2)O	EMOLS-id_318059613	333.425	JZNKKCSIXGUEGP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087247
CCC(=O)NC1Cc2c(C1)nc(o2)OC1CCN(CC1)C1CCC1	SCHEMBL164928,PC-id_66610875	333.425	RIGSEWWWIYNCJX-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-087248
CCC(=O)NC1CCc2c1oc(n2)OC1CCN(CC1)C1CCC1	PC-id_66613952,SCHEMBL174556	333.425	MLZZSGDCFDLYQB-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-087249
C=CCSc1cc2n(c1C(=O)c1cccs1)CCC2C(=O)O	PC-id_70449792,SCHEMBL10815092	333.425	JXULIKYDEPIAPW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087250
C=CCSc1cc2n(c1C(=O)c1cscc1)CCC2C(=O)O	SCHEMBL10816142,PC-id_70450071	333.425	SCUVQVFZBFUQQM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087251
COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCC2	CoCoCo_5886422,ZINC22_475754,ChEMBL-DNDi_CHEMBL7262704,PC-id_897944,EMOLS-id_25951010,SPECS-id_AN-153/I176439,TIMTEC189221,SPECS-id_AT-084/J168779	333.425	HFADNTABYIDCTJ-BQYQJAHWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087252
COC(=O)c1c(NC(=O)/C=Cc2cccs2)sc2c1CCC2	CoCoCo_5886423	333.425	HFADNTABYIDCTJ-FPLPWBNLSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087253
OCC1(CCC1)C(C1CCOCC1)NC(=O)c1cn2c(n1)CCC2	MCULE-5788356566,EMOLS-id_316480123	333.425	HESJQXHZOZTSEM-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-087254
O=C(C1(CCOCC1)C1CCCCO1)NCc1cnc2n1CCC2	EMOLS-id_319109836	333.425	BFYOKGXXVQXRMP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087255
O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1cn2c(n1)CCC2	ZINC22_1452462248	333.425	HESJQXHZOZTSEM-INIZCTEOSA-N	00001010100010000001000010000000000000000000000000000000	25-01-087256
O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)c1cn2c(n1)CCC2	ZINC22_1452462256	333.425	HESJQXHZOZTSEM-MRXNPFEDSA-N	00001010100010000001000010000000000000000000000000000000	25-01-087257
[O]N1C(C)(C)c2c(C1(C)C)cn(c2)S(=O)(=O)c1ccc(cc1)C	PC-id_101078849	333.425	NHRLVQDPXCWJOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087258
CC1C(C)S(=O)(=O)CCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176383	333.427	DYVRIEZDCQOAOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087259
CC1CN(CC(S1(=O)=O)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99522356	333.427	CTQREJBDNWWHIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087260
CC1(CS(=O)(=O)NCc2nn3c(c2)CCC3)CS(=O)(=O)C1	EMOLS-id_319194438	333.427	KTMIFSBGRISGGQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-087261
CCOC(=O)C1CCc2c1nc(s2)NCCCS(=O)(=O)N	PC-id_104288160	333.427	KFFWQHVVAJKUCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087262
CCOC(=O)C1CCc2c1nc(s2)NCCNS(=O)(=O)C	PC-id_104287945	333.427	LVJQGGCWUUJPRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087263
CCOC(=O)C1CCc2c1nc(s2)NCCS(=O)(=O)NC	PC-id_106342996	333.427	RHMSDPOZVGOAEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087264
CS(=O)(=O)C1(CCC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100401020	333.427	UHYMLAQWTFRINR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-087265
CS(=O)(=O)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100244569	333.427	HUXQUABZNABCOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087266
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CCC#N)C1CC1	MCULE-7802915480,EMOLS-id_328341905	333.427	MIMGLWBQWXGPCG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-087267
OC(=O)C1CCc2c1nc(s2)NCC(NS(=O)(=O)C)(C)C	PC-id_104288836	333.427	GIIRUBUISBXTKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087268
O=S1(=O)CCCCC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100237624	333.427	HAWYXTPADNHSIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087269
O=S1(=O)CCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98858681	333.427	ZZWXPWLBXRJHDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087270
COCc1nc(C)c(s1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7013313301,EMOLS-id_322836921	333.428	RHTWOXGCMDGXLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087271
NC(=O)c1c(NC(=O)CSc2ccccn2)sc2c1CCC2	MCULE-6559440731,CoCoCo_3639118,PC-id_7631095,ZINC22_5321207,EMOLS-id_48946272	333.428	NCFXDSJPVDEQIP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087272
s1c2c(CCC2)c(c1NC(=S)Nc1cccnc1)C(=O)OC	PC-id_19655557	333.428	IFMWUJXSQVGXKQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087273
s1c2c(CCC2)c(c1NC(=S)Nc1ccncc1)C(=O)OC	PC-id_19655629	333.428	XIAWVAUTCCMVHH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087274
s1c2c(CCC2)c(c1NC(=S)Nc1ncccc1)C(=O)OC	PC-id_19655509	333.428	FLGREUKGTQRUBJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087275
CCC1(CCN(CC1)C(=O)C1NCc2c1c[nH]n2)N1CCOCC1	EMOLS-id_319541038	333.429	XGVCGTPWSVEVGK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087276
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCn3nccc23)C1	ZINC22_375545042	333.429	XWSMYAQGXQQRKO-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087277
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCn3nccc23)C1	ZINC22_375545043	333.429	XWSMYAQGXQQRKO-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087278
CC(CN1CCN(C(C1=O)C)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101420436	333.429	NAXAZRMEFFJPIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087279
CC(CNC(=O)N1CCCC(C1)CC(=O)N1CCn2c1ccn2)C	EMOLS-id_177205469,MCULE-9413704948	333.429	XWSMYAQGXQQRKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087280
CN(C)C(=O)CCN1CCC(NC(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_344466714	333.429	WZEDBULMINGUDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087281
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)OCCN1CCCC1	EMOLS-id_319165303	333.429	DDTMCGNILWFXML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087282
O=C(C1NCc2c1c[nH]n2)NCC1(CCCCC1)N1CCOCC1	EMOLS-id_319469391	333.429	CMTSEDCKJWFRBE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087283
O=C(N1CC(C1C1CCCO1)(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_99638076	333.429	IGMPXVVUHLAINA-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-087284
O=C(N1CCCC1C1CCOCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_98891042	333.429	FYIJPVAYODZWBY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087285
O=C(N1CCCC1CN1CCOCC1)NC1CC(n2c1ncc2)C	EMOLS-id_319088305	333.429	CYZCGBAZBPCYIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087286
O=C(N1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2)NC(C)(C)C	EMOLS-id_110690623	333.429	DFHKQIHFZRNZEQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087287
O=C(N1CCC(CC1)OC1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_97961401	333.429	HAWAQIQNYUMGTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087288
O=C(N1CCN(CC1)C(=O)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101436594	333.429	BSTUTEMIGGUOPW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087289
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCC1)C(=O)N(C)C	EMOLS-id_101399314	333.429	FMAZZYMVAMYZJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087290
O=C(NC1CC(n2c1ncc2)C)NCCC(=O)N1CCCCCC1	EMOLS-id_101398144	333.429	FKWWIKUEQCWZSR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087291
O=C(NC1CC(n2c1ncc2)C)NC(C(=O)N1CCCCC1C)C	EMOLS-id_101392978	333.429	YRRUTXFGCDXHPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087292
O=C(NC1CC(n2c1ncc2)C)NCC(=O)N(C1CCCCC1)C	EMOLS-id_101383405	333.429	LPJODKUKNACWCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087293
s1c2CCCc2cc1C(=O)NNC(=O)c1c(SC)nccc1	PC-id_27684514	333.429	GMCLXCYAZAIFRD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087294
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)C)C#N	PC-id_2697585	333.429	PBJGRXCYADJFBI-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-087295
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC1CC1)C)C#N	PC-id_9053106	333.429	ODIJKRXPGOSCRM-UHFFFAOYSA-O	00100010100000000000000010000000000000000000000000000000	25-01-087296
CCc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	CoCoCo_4531707,CoCoCo_4531705,ZINC22_11712262,CoCoCo_4531706,CoCoCo_4531704,EMOLS-id_13480379,PC-id_17564306,MCULE-3334960425	333.432	HHNUYNOPJLSBBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087297
CCNC(=NCc1nnc2n1CCC2)N1CCCC(C1)CC(=O)N	PC-id_109561142	333.432	PLBGFNKSTRJGTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087298
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)C(=O)CC	PC-id_120066335	333.432	BIRUWQKEZFBGKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087299
CN=C(N1CCC(C1)N1CCOCC1)NCc1nnc2n1CCC2	PC-id_119142627	333.432	QABXRGVDXQTSJH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087300
N#Cc1c(NC(=O)C(Sc2ncnn2C)C)sc2c1CCC2	EMOLS-id_99512318	333.432	DOZPWVMDCCGBBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087301
s1c2CCCc2c(c1NC(=O)CSc1n(CC)cnn1)C#N	PC-id_8987862	333.432	DLCCTXURKBPDIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087302
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)C)C)C#N	PC-id_8337927	333.432	SDMYJBDQBPRCCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087303
C(=C
/CCCCC1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328060719,MCULE-1415881979	333.445	DCRKKEVSRJQPPE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087304
CC1OCCCC1C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_100498417	333.445	IHZPJOWZCUEJKH-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-087305
COC1(CCC1)CC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_100498423	333.445	KJFOGFJEBAYZQH-UHFFFAOYSA-N	00101010100000000000000010000000000000000000000000000000	25-01-087306
O=C(COC(=O)c1cc2c(s1)CCC2)NCCC1=CCCCC1	ZINC22_3416755,MCULE-1540286115,CoCoCo_2840757,EMOLS-id_43696712,PC-id_2535800	333.445	VKGRJIWGCDKSGM-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-087307
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CC1CCCCO1	EMOLS-id_101170407	333.445	XKTAFOAVIPIRED-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-087308
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CC1CCOCC1	EMOLS-id_101170434	333.445	YDHJOZZFSURGCF-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-087309
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CCC1CCCO1	EMOLS-id_101168481	333.445	KSHXXANDFJWCGK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-087310
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CCC1CCOC1	EMOLS-id_101172360	333.445	LYSBWQTZXIGPQN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-087311
O=C(NC(c1ccccc1)c1ccccc1)c1cc2c(s1)CCC2	CoCoCo_3189543,ZINC22_3230858,MCULE-5406279180,PC-id_2348973,EMOLS-id_43804200	333.447	FWXOKWZGUXSVQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087312
s1c2CCCc2cc1C(=O)Nc1c(Cc2ccccc2)cccc1	PC-id_8438103	333.447	GWAYIABWZJRSOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087313
Cc1cc(c(c(c1C)S(=O)(=O)NCc1cnc2n1CCC2)C)C	EMOLS-id_317364747,PC-id_136560637,MCULE-6639843808	333.448	MXLOKMUZHNERGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087314
Cc1cc(C)c(c(c1C)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101320574	333.448	HNSHZKDQKJTQGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087315
CC1CN(CCC(=O)Nc2sc3CCCc3c2C#N)CC(C)O1	MCULE-6661943929,PC-id_3609324,EMOLS-id_5474337	333.448	PHBFAWDJEMWJQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087316
CC(C1CCN(C1)C(C)C(=O)Nc1c(c2c(s1)CCC2)C#N)O	PC-id_136521807,EMOLS-id_316827569,MCULE-7660064923	333.448	HBPZFULAABZSQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087317
CCc1nccn1CCCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956497	333.448	FKDGFKOARVWEHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087318
CC(C)(C)c1nc(C(C)(C)NC(=O)c2cc3c(s2)CCC3)no1	EMOLS-id_44557721,MCULE-9897105898,ZINC22_63956808,PC-id_71882698	333.448	WHKXBWCMWBWKRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087319
C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1	CoCoCo_3789890,ZINC22_12822180,PC-id_730352,CoCoCo_3789892	333.448	PHBFAWDJEMWJQK-TXEJJXNPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087320
C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1	PC-id_730353,ZINC22_19791876,CoCoCo_3789891	333.448	PHBFAWDJEMWJQK-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087321
C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)O1	PC-id_730354,CoCoCo_3789893,ZINC22_19791877	333.448	PHBFAWDJEMWJQK-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087322
C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)CO1	PC-id_94825296,ZINC22_58429831	333.448	PBAAZBVYNQPIIB-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087323
C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)CO1	ZINC22_106515423,PC-id_98750540	333.448	PBAAZBVYNQPIIB-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087324
C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)CO1	ZINC22_58429833,PC-id_94825297	333.448	PBAAZBVYNQPIIB-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087325
CC(c1ccccc1)C(=O)Nn1c2c(CN(C2)S(=O)(=O)C)cn1	PC-id_90915983	334.393	PKPSMNMXAFMLSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087766
C[C@H]1CO[C@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_106515418,PC-id_98750538	333.448	PBAAZBVYNQPIIB-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087326
C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC22_183219224	333.448	HBPZFULAABZSQO-SDDRHHMPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087327
C[C@H](O)[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC22_183219256	333.448	HBPZFULAABZSQO-SRVKXCTJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087328
C[C@H](O)[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC22_248536950	333.448	HBPZFULAABZSQO-GRYCIOLGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087329
C[C@H](O)[C@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC22_248536951	333.448	HBPZFULAABZSQO-WOPDTQHZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087330
CCN(CC)C(=O)CCCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328242022,MCULE-9662541523	333.448	MXKWQSSYCAWVIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087331
CN1CCCN(CC1)C(=O)c1sc2c(c1)N(CC2)C(=O)C1CC1	PC-id_97524533	333.448	KXEGJOPANJMXOQ-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-087332
N#Cc1c(NC(=O)CCN2CCC(C2)C(O)C)sc2c1CCC2	PC-id_110020185	333.448	CIUILFCIUXGCFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087333
N#Cc1c(NC(=O)CCN2CCC(C(C2)O)C)sc2c1CCC2	PC-id_109950466	333.448	RRIOAVMSGPZFHC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087334
N#Cc1c(NC(=O)CCN2CC(C)OCC2C)sc2c1CCC2	EMOLS-id_33314035,PC-id_48079182,MCULE-4743676789	333.448	PBAAZBVYNQPIIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087335
N#Cc1c(NC(=O)C(N2CCCC(C2)(C)O)C)sc2c1CCC2	EMOLS-id_110605804	333.448	KHYMEPBGZPZMPY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087336
N#Cc1c(NC(=O)C(N2CCC(CC2)(C)O)C)sc2c1CCC2	EMOLS-id_111331684	333.448	LHNCZQVGXTYRQA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087337
N#Cc1c(NC(=O)C(N2CCC(C(C2)C)O)C)sc2c1CCC2	EMOLS-id_111709453	333.448	CYLOVZWXAJCBTA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087338
N#Cc1c(NC(=O)C(N2CCC(C(C2)O)C)C)sc2c1CCC2	EMOLS-id_110715011	333.448	LSTMSLWBGPJLSF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087339
N#Cc1c(NC(=O)C(N2CC(C)OC(C2)C)C)sc2c1CCC2	EMOLS-id_110847160	333.448	NWYIOJXJLMZHFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087340
N#Cc1c(NC(=O)C(N2CCCOC(C2)C)C)sc2c1CCC2	EMOLS-id_98147071	333.448	AZAQDRRKGMDNOL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087341
N#Cc1c(NC(=O)C(N2CCOC(C2)(C)C)C)sc2c1CCC2	EMOLS-id_110981809	333.448	FPEGATDYPAXXAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087342
N#Cc1c(NC(=O)C(N(CC2CCOC2)C)C)sc2c1CCC2	EMOLS-id_100608344	333.448	GGHAJOFCVAKHGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087343
N#Cc1c(NC(=O)C(NC(C2CCOC2)C)C)sc2c1CCC2	EMOLS-id_97772611	333.448	NJVKJOWKFRETKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087344
OCC1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_110906762	333.448	UPEJCDSNJHTEDO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087345
OCC1CCCN(C1)CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_110882832	333.448	KCXZEDAZMNQFKA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087346
OCC1CCN(CC1)CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_110935845	333.448	MAIUTFSWSWZDNF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087347
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)N1CCNCC1=O	MCULE-7715584440,PC-id_120401113,EMOLS-id_302310215	333.448	KVDBXZYHTDYERR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087348
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)NC1CC1	ZINC22_35336340,PC-id_16393557,EMOLS-id_11873962,MCULE-5568690185,CoCoCo_4090412	333.448	RHKHDSJMYMECMM-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-087349
OCCn1ncc2c1CN(C2)Cc1ccc(s1)C1CCCCO1	MCULE-5417276490,EMOLS-id_49878988,PC-id_77085738	333.448	DBXBCLXAQCMROX-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-087350
OCCn1ncc2c1CN(Cc1ccc([C@@H]3CCCCO3)s1)C2	ZINC22_215530712,PC-id_99932264	333.448	DBXBCLXAQCMROX-INIZCTEOSA-N	00000010100110000001100010000000000000000000000000000000	25-01-087351
OCCn1ncc2c1CN(Cc1ccc([C@H]3CCCCO3)s1)C2	ZINC22_215530779,PC-id_99932266	333.448	DBXBCLXAQCMROX-MRXNPFEDSA-N	00000010100110000001100010000000000000000000000000000000	25-01-087352
O=S(=O)(c1ccc(cc1)C(C)(C)C)NCc1nn2c(c1)CCC2	MCULE-5469954379	333.448	WBSPJAYIJVQZFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087353
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CC(=O)NCC=C	PC-id_51283188	333.448	SBDWQMOIMPXHGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087354
O=c1n(nc2n1CCC2)CC(CO[Si](C(C)(C)C)(C)C)(F)F	SCHEMBL3523236,PC-id_57927535	333.45	RKLVTKCDKJJEJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087355
c1(NC(=S)NC(=O)c2cccs2)sc2c(CCC2)c1C#N	EMOLS-id_2214918,CoCoCo_936065,ZINC22_2364829,STOCK3S-31959,MCULE-1050514322,PC-id_1976593	333.452	FHJYAGNFBALNRQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087356
CC1(C)CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1	PC-id_71973412,EMOLS-id_49101506,ZINC22_96461151,MCULE-4079845392	333.452	NTYGUOAAHKWDSP-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-087357
CC(c1nnc2n1CCC2)NC(=O)c1cnc(s1)CC(C)(C)C	PC-id_136562723,EMOLS-id_316961169,MCULE-9531683179	333.452	AAQDDNDMSLHCKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087358
CC(C(c1cccs1)NC(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_35718632,PC-id_53520737,MCULE-5749486371	333.452	YMZCCQNTPPEWFJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087359
CCC(CC)n1ncc(C(=O)NCc2cn3c(n2)SCC3)c1C	MCULE-8476427254,ZINC22_408515034,PC-id_122141144,EMOLS-id_172307780	333.452	OZIBPEDDKDHXPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087360
CC(C)[C@H](NC(=O)N(C)Cc1nnc2n1CCC2)c1cccs1	PC-id_95161167,ZINC22_65626422	333.452	YMZCCQNTPPEWFJ-HNNXBMFYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087361
CC(C)[C@@H](NC(=O)N(C)Cc1nnc2n1CCC2)c1cccs1	ZINC22_65626425,PC-id_95161168	333.452	YMZCCQNTPPEWFJ-OAHLLOKOSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087362
CC(C)(C)n1nccc1NC(=O)NCCc1nc2c(s1)CCC2	MCULE-1983073216,EMOLS-id_316308099,ZINC22_930926073	333.452	FZMIJYAWPBSWJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087363
C[C@H](NC(=O)c1cnc(CC(C)(C)C)s1)c1nnc2n1CCC2	ZINC22_930479955	333.452	AAQDDNDMSLHCKH-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-087364
C[C@@H](NC(=O)c1cnc(CC(C)(C)C)s1)c1nnc2n1CCC2	ZINC22_930479956	333.452	AAQDDNDMSLHCKH-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087365
O=C(c1nn(c(c1)C)C(C)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99844184	333.452	MVSKNFUUVCIKKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087366
O=C(C(c1c(C)nn(c1C)C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_99838231	333.452	FNLMRQPLZAJALQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087367
O=C(Nc1nnc(c2ccsc2)s1)c1cc2c(s1)CCC2	ZINC22_84618575,EMOLS-id_44541864,MCULE-2404675134,PC-id_71889261	333.452	UFPKPPYUPATHAA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-087368
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1c(C)nn(c1C)C	EMOLS-id_102003645	333.452	UORGPSSEXHIPAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087369
O=C(NC(c1cn(nc1C)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001956	333.452	SVESUVIKWKHKLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087370
O=C(N(C(c1sc(nc1C)C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101415630	333.452	HZTDYSQIHZZFKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087371
s1c(CCNC(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1	PC-id_60273926	333.452	CBNZJZBBSXEZIL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087372
CCNC(=NCc1nnc2n1CCC2)N(Cc1csc(n1)C)C	PC-id_109421898	333.455	DAIOFZNYOAAQBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087373
CCNC(=NCc1nnc2n1CCC2)NCc1ncc(s1)CC	PC-id_111510277	333.455	HPRJAKITPNDZAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087374
CCNC(=NCc1nnc2n1CCC2)NCc1sc(c(n1)C)C	PC-id_111771874	333.455	NGFBGTCJSYPYOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087375
CCNC(=NCc1nnc2n1CCC2)NCc1sc(nc1C)C	PC-id_111771870	333.455	DPAHZOFSHRKUGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087376
CCNC(=NCc1nnc2n1CCC2)NCCc1ncc(s1)C	PC-id_111791754	333.455	VTZCPUOJYVHROU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087377
CC/N=C(NCCc1csc(C)n1)/NCc1nnc2n1CCC2	PC-id_75419809,ZINC22_95350567	333.455	CZPQBPMMDKDSFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087378
CN=C(NCc1nnc2n1CCC2)NCc1scc(n1)C(C)C	PC-id_109847834	333.455	OXDVVGCDTPDLEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087379
CN=C(NCc1nnc2n1CCC2)NCCc1ncc(s1)CC	PC-id_111510261	333.455	SJTMVJJKIPVDQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087380
CN=C(NCc1nnc2n1CCC2)NCCc1sc(c(n1)C)C	PC-id_109836579	333.455	XYEKRTZKCDKIDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087381
Cc1n(CCN2CCOCC2)c(c2c1C(C)(C)CC2(C)C(=O)N)C	PC-id_12894336,SCHEMBL11481290	333.468	MQUZBBHGUDUGHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087382
CC(COC(=S)C1CCn2c1ccc2C(=O)c1cccs1)C	PC-id_54066336	333.468	MDGCYQUWIDOPCS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087383
CSc1cc2n(c1Cc1ccc(cc1)SC)CCC2C(=O)O	SCHEMBL11196861,PC-id_70534803	333.468	BDYSHIAOTQFHDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087384
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1[C@@H](O)c1cccs1	ZINC22_12183111,PC-id_16671410,AAM-12330468	333.468	ZNJYSRNTVPEIHG-MLGOLLRUSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087385
s1c(C(=O)N2C(CCC2)C(O)c2sccc2)cc2c1CCC2	PC-id_73304543	333.468	ZNJYSRNTVPEIHG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087386
C1CC(N(C1)CC(=O)Nc1nc2c(s1)CCC2)c1cccs1	MCULE-1068326637,EMOLS-id_316830264,PC-id_136577649	333.472	LULRLBLJORFTRT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-087387
c1(NC(=O)C(C)Sc2ccc(cc2)C)n(C)nc2CSCc12	MCULE-7286855642,EMOLS-id_316221992	333.472	NFYXNRGZJDUUJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087388
CC1CC(C)CN(C1)CC(NC(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101380732	333.472	ULYQQFXUFJIUSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087389
CC1CCCN(C1)C(CNC(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_101401405	333.472	ZJAFXCWBCGBKSV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087390
Cc1ccc(S[C@H](C)C(=O)Nc2c3c(nn2C)CSC3)cc1	ZINC22_1506400482	333.472	NFYXNRGZJDUUJZ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087391
Cc1ccc(S[C@@H](C)C(=O)Nc2c3c(nn2C)CSC3)cc1	ZINC22_1506400492	333.472	NFYXNRGZJDUUJZ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-087392
Cc1csc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1	EMOLS-id_36914774,PC-id_35164499,ZINC22_27775775,MCULE-4888827975	333.472	HEQNJHVZZQMSJC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087393
CCCC1(CCC1)CNC(=O)NC(c1nnc2n1CCC2)C(C)C	PC-id_71920145,MCULE-8489306246,EMOLS-id_45668255	333.472	QTWXLOHJJILRIK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-087394
CCCC1(CCC1)CNC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C	PC-id_97098111	333.472	QTWXLOHJJILRIK-OAHLLOKOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-087395
CCCC1(CCC1)CNC(=O)N[C@H](c1nnc2n1CCC2)C(C)C	PC-id_97098112	333.472	QTWXLOHJJILRIK-HNNXBMFYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-087396
CC(C)[C@H](NC(=O)NC1CCCCCCC1)c1nnc2n1CCC2	ZINC22_78564622,PC-id_96472605	333.472	VVXFPZRKMCNJBI-INIZCTEOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087397
CC(C)[C@@H](NC(=O)NC1CCCCCCC1)c1nnc2n1CCC2	ZINC22_78564627,PC-id_96472606	333.472	VVXFPZRKMCNJBI-MRXNPFEDSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087398
CCCCN(CC1CCN(CC1)C(=O)NC1CCn2c1ncc2)C	PC-id_145878412,MCULE-5468528079,EMOLS-id_316919156	333.472	PVQHQWHPXIUGGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087399
CC(C(C(=O)N(Cc1nnc2n1CCC2)C)NC1CCC1(C)C)C	EMOLS-id_318251176	333.472	RGOIDAMMXDNXSR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-087400
CC(C(C(=O)N(Cc1nnc2n1CCC2)C)NC1CCCCC1)C	EMOLS-id_318070250	333.472	GYIAUKGREMLBMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087401
O=C(c1cc2c(s1)CCC2)N1CCCN(c2nccs2)CC1	ZINC22_71830699,PC-id_48428729,EMOLS-id_36935297,MCULE-6153753845	333.472	RLBWAPHZHQLYOZ-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-087402
O=C(c1cc2c(s1)CCC2)N1CCN(Cc2cscn2)CC1	ZINC22_56249668,MCULE-1338497953,PC-id_56819262,EMOLS-id_36930805	333.472	BVTQFSBDNONRQF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087403
O=C(CN1CCC[C@H]1c1cccs1)Nc1nc2c(s1)CCC2	ZINC22_51653985	333.472	LULRLBLJORFTRT-LBPRGKRZSA-N	00000010100100000001100010000000000000000000000000000000	25-01-087404
O=C(CN1CCC[C@@H]1c1cccs1)Nc1nc2c(s1)CCC2	ZINC22_51653986	333.472	LULRLBLJORFTRT-GFCCVEGCSA-N	00000010100100000001100010000000000000000000000000000000	25-01-087405
O=C(NC1CCCCCCC1)NC(c1n2CCCc2nn1)C(C)C	PC-id_60273928,EMOLS-id_44508323,MCULE-5327894119	333.472	VVXFPZRKMCNJBI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087406
O=C(NC1CC(n2c1ncc2)C)CCCN1CCN(CC1)C(C)C	EMOLS-id_258094584,MCULE-9841515223	333.472	QWQXXOGZSHPRMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087407
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCC(C1)C)N(C)C	EMOLS-id_101379343	333.472	DEBIXWIAMAVSTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087408
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCCCC1)N(C)C	EMOLS-id_101403151	333.472	SHWDNUGRIMYTBF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087409
O=C(Nc1n(C)nc2c1CCC2)CCCN1CCN(CC1)C(C)C	EMOLS-id_316523262	333.472	BUMRURHTKADXMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087410
s1c2CCCc2c(c1NC(=S)NC(=O)C1CCCCC1)C#N	PC-id_4955490	333.472	PVGXJLIQALMKMN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087411
s1c2CCCc2c(c1NC(=S)NC(=O)CC1CCCC1)C#N	PC-id_54786790	333.472	IRBQJEQYTUMOKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087412
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1sccc1	PC-id_44060326	333.472	PKQSVGOIVMVLAV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-087413
CCC1CCCCN1CCNC(=NC)NCc1nnc2n1CCC2	PC-id_111568331	333.475	ARSWRFCNRPJKQU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087414
CCCN1CCC(CC1)NC(=NCc1nnc2n1CCC2)NCC	PC-id_111019711	333.475	VDEOUNZMTOBDIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087415
CCNC(=NCc1nnc2n1CCC2)NC1CCN(CC1)C(C)C	PC-id_111317100	333.475	MPNCLPWPWUEQIR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087416
CCNC(=NCc1nnc2n1CCC2)NC1CN(CC1C)C(C)C	PC-id_109699965	333.475	XNVPHLJUDZRRTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087417
CN=C(NCc1nnc2n1CCC2)NCCCN1CCCCC1C	PC-id_111020467	333.475	NVZBJBFSMAKKKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087418
CN=C(NCc1nnc2n1CCC2)NCCCN1CCC(CC1)C	PC-id_111020495	333.475	LPYXFZNOTPZNHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087419
CN=C(NCc1nnc2n1CCC2)NCCCN1CCCCCC1	PC-id_111020399	333.475	YAFBYRWZQMIBKH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087420
CN=C(NCc1nnc2n1CCC2)NCC(N1CCCCC1)(C)C	PC-id_111020383	333.475	LYBFSGDGARJWBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087421
O=CC1CCCCC1C(Nc1sc2c(c1C(=O)C)CCC2)(C)C	PC-id_142393494	333.488	XQHJLVVHLUKGJI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-087422
CCCSCCCNC(=O)c1sc2c(c1)CS(=O)(=O)C2	CHEMBL1302271,ChEMBL-DNDi_CHEMBLC771-0202,CoCoCo_2175373,ChEMBL-DNDi_CHEMBL1302271,PC-id_3237887	333.49	DMPJNIVVRVDMNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087423
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)Cc1ccsc1	PC-id_9180927	333.491	GPTOGNXXSRHOAJ-UHFFFAOYSA-O	00000010100110000001000010000000000000000000000000000000	25-01-087424
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)Cc1sccc1	PC-id_9472172	333.491	MKUVMJZLMFJMFO-UHFFFAOYSA-O	00000010100110000001000010000000000000000000000000000000	25-01-087425
s1c(nc2c1CCC2)CN1CCN(C(=O)C2CCCCC2)CC1	PC-id_44060340	333.491	QIFHZWMINXHVIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087426
s1c(nc2c1CCC2)CN1CCN(C(=O)CC2CCCC2)CC1	PC-id_44060343	333.491	YIVPEQSNHBMKTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087427
CCC(CCC(=O)OCC)n1c2c(C(SN2)N)sc1=S	SCHEMBL3085477,PC-id_87478397	333.493	XUYAGBJMGSVLJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087428
CCCCCCCCN1S(=O)c2c(S1=O)c(sc2C)C	SCHEMBL18325062	333.533	QXFFFEGYVMMRJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087429
Clc1cc(C)c(c(n1)Cl)NC1CCc2c1cc(s2)Cl	PC-id_108191614	333.664	UETUYBAGTGVIJJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087430
O=C(c1occ2c1CCC2)Nc1c(Cl)n(nc1C(F)(F)F)C	EMOLS-id_257984603,MCULE-6506948341	333.694	VOVYTTNNKPXQMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087432
Brc1c(scc1)C(Cl)c1sc2c(CCC2)c1	PC-id_80537166	333.695	OCTKXFFEKPXFSB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087433
Brc1sc(C(Cl)c2sc3c(CCC3)c2)cc1	PC-id_63435063	333.695	ZNDZKOFBRYDRAN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087434
BrC(c1sc2c(CCC2)c1)c1sccc1Cl	PC-id_80531624	333.695	LZZUDQWEHZTTQW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087435
BrC(c1sc2c(CCC2)c1)c1sc(Cl)cc1	PC-id_63441385	333.695	CFLTZJKPOBTXEQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087436
Clc1c2n(CCC2(C(=O)O)C(=O)O)c(c1)C(=O)c1ccccc1	PC-id_20405087,SCHEMBL11006673	333.723	YRLISDFKMUINCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087437
Clc1c(C=NNC(=O)c2n[nH]c3CCCc23)cc([N+](=O)[O-])cc1	PC-id_2048445	333.73	RPDKVMBKQVYUFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087438
Clc1c([N+](=O)[O-])cc(C=NNC(=O)c2n[nH]c3CCCc23)cc1	PC-id_4567787	333.73	KZPMWWLTZZYCMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087439
Cn1nc(c(c1Cl)CNC1CC(n2c1ncc2)C)C(F)(F)F	MCULE-1436345441,EMOLS-id_318494395	333.74	AURLUPRZWADCNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087440
Clc1nc(ccc1C(c1sc2c(c1)CCC2)O)C(F)(F)F	PC-id_106972030	333.756	AFWFFNUAHHASOW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087441
Clc1sc2CCC(Nc3ccc(OC(F)(F)F)cc3)c2c1	PC-id_81234956	333.756	NBPYAICKBFTUGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087442
Clc1sc2CCC(Nc3cc(F)c(OC(F)F)cc3)c2c1	PC-id_81246558	333.756	LZCVNSNXWWMKQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087443
Clc1sc2CCC(Nc3cc(OC(F)(F)F)ccc3)c2c1	PC-id_81235618	333.756	WUQLZGAAKJNWOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087444
Clc1sc2CCC(Nc3c(OC(F)(F)F)cccc3)c2c1	PC-id_81234958	333.756	PSVWOADKQLHYKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087445
Clc1cc(NCc2sc3c(c2)CCC3)nc(n1)C(F)(F)F	PC-id_106194064	333.76	PHZSCBRPCJKRFP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087446
Clc1nc(NCc2sc3c(c2)CCC3)cc(n1)C(F)(F)F	PC-id_106194077	333.76	UQTUYEUKJXEYQA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087447
CCCCc1cc2n(c1C(=O)c1occc1Cl)CC=C2C(=O)O	SCHEMBL11663239,PC-id_70629406	333.766	GAFFWMFSWXQUNA-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-087448
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(OC)cc1	PC-id_13068187,SCHEMBL11280352	333.766	OKKWSQTYKYEBSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087449
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1cc(OC)ccc1	SCHEMBL11266741,PC-id_20528110	333.766	LQDNHSOFILAYGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087450
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1c(OC)cccc1	SCHEMBL11270546,PC-id_20528101	333.766	HNCDASUZOIEXGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087451
O=C(O)C[C@H](NC(=O)c1occ2c1CCC2)c1ccccc1Cl	ZINC22_2325762876	333.766	LGVPMKCQOCQJID-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087452
O=C(O)C[C@@H](NC(=O)c1occ2c1CCC2)c1ccccc1Cl	ZINC22_910405789	333.766	LGVPMKCQOCQJID-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087453
c1(C(=O)Nc2c(Cl)ccc(c2)C(=O)OC)c2CCCc2n(C)n1	PC-id_110389116,EMOLS-id_179745412,MCULE-3179904298	333.77	QGKNNJQUQDADMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087454
Clc1cccc(c1)OC1CCN(C1)C(=O)c1nn2c(c1)OCC2	MCULE-9144117329,EMOLS-id_316054480	333.77	JGJWAPAGFMPOMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087455
O=C(c1cc2n(n1)CCO2)N1CC[C@@H](Oc2cccc(Cl)c2)C1	ZINC22_377991290	333.77	JGJWAPAGFMPOMW-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087456
O=C(c1cc2n(n1)CCO2)N1CC[C@H](Oc2cccc(Cl)c2)C1	ZINC22_377991300	333.77	JGJWAPAGFMPOMW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087457
O[C@@H]1CCN([C@@H]1c1ccc(cc1)Cl)C(=O)c1nn2c(c1)OCC2	EMOLS-id_102245133,MCULE-4341073886	333.77	SMBPIJBCYAAQHX-UKRRQHHQSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087458
OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)c1cnn2c1CCC2	EMOLS-id_318106716	333.77	INVQQRFKPJKWSX-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087459
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1Cl)C)CC	EMOLS-id_27450808,STOCK6S-80135,MCULE-3527820668,PC-id_135649946,SPECS-id_AN-153/NB21594	333.773	RMGUJWCCLXXOTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087460
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(C)ccc(Cl)c1)CC	STOCK6S-67897,MCULE-3900651947,SPECS-id_AN-153/NB21589,PC-id_135649939,EMOLS-id_24576578	333.773	NPYPTVRNVWEGPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087461
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1C)CC	PC-id_135649942,EMOLS-id_24583021,STOCK6S-73024,MCULE-1445097404,SPECS-id_AN-153/NB21592	333.773	DFNDDFDSCYMEEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087462
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)C)CC	STOCK6S-68399,MCULE-9813781344,EMOLS-id_24577228,PC-id_135649931	333.773	KTIFDSUVPLPMJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087463
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)cc1Cl)C(=O)N2	PC-id_135878621,ZINC22_31814549	333.773	RMGUJWCCLXXOTL-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087464
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)cc1Cl)C(=O)N2	ZINC22_31814554,PC-id_135878622	333.773	RMGUJWCCLXXOTL-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-087465
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2	ZINC22_20722838,PC-id_135902030	333.773	KTIFDSUVPLPMJF-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087466
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2	ZINC22_20722840,PC-id_135902031	333.773	KTIFDSUVPLPMJF-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-087467
CCc1nc2n(n1)[C@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)N2	PC-id_135902861,ZINC22_20738866	333.773	DFNDDFDSCYMEEO-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087468
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)N2	PC-id_135902862,ZINC22_20738870	333.773	DFNDDFDSCYMEEO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-087469
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)N2	PC-id_135901946,ZINC22_20721463	333.773	NPYPTVRNVWEGPG-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087470
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)N2	ZINC22_20721466,PC-id_135901947	333.773	NPYPTVRNVWEGPG-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-087471
C[C@@H](NC(=O)C(=O)Nc1ccccc1Cl)c1nnc2n1CCC2	PC-id_97257581,ZINC22_95461158	333.773	HTPNJJBWHGYVRK-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087472
C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)c1nnc2n1CCC2	ZINC22_95461157,PC-id_97257580	333.773	HTPNJJBWHGYVRK-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-087473
CC(=N)c1c(NCc2nn3c(c2)CCC3)ncc(c1Cl)C(=O)O	PC-id_145130986	333.773	XTHXBZNQNFNPCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087474
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1Cl	PC-id_68441435,SCHEMBL2920908	333.773	BHJDAKMKUIGMEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087475
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccc(c1)Cl	PC-id_68442466,SCHEMBL2923591	333.773	NFWIPICFFBTLRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087476
CCNC(=O)N1Cc2c(C1)n(nc2)NC(=O)c1ccccc1Cl	SCHEMBL7160751,PC-id_70008215	333.773	FEFKSQALDFUKKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087477
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)c1ccc(cc1)Cl	PC-id_68441849,SCHEMBL2922124	333.773	PSQJAXJYICGJSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087478
CC(=O)Nc1ccc(Cl)c(c1)C(=O)NCc1nnc2CCCn12	MCULE-6503702538,PC-id_50967143,EMOLS-id_32225828,ZINC22_55252461	333.773	COXKACXDUUKCCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087479
CC(=O)NCc1nnc2n1C(CC2)C(=O)Nc1cc(ccc1)Cl	PC-id_134796150	333.773	ZIARDEPTZOFJIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087480
Clc1ccc(CC(=O)N2CCn3nc(NC(=O)NC)cc23)cc1	SCHEMBL12307454,PC-id_58441032	333.773	KITAIPSJLLQXAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087481
Clc1ccc(CNC(=O)Nc2n[nH]c3c2CN(C3)C(=O)C)cc1	PC-id_68441512,SCHEMBL2921171	333.773	GLHMPWCAZCDZTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087482
Clc1c(CC(=O)N2CCn3nc(NC(=O)NC)cc23)cccc1	SCHEMBL12307443,PC-id_58441122	333.773	ULFJPRXVIHLSLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087483
Clc1c(NC(=O)C(=O)NC(c2n3CCCc3nn2)C)cccc1	EMOLS-id_48318550,MCULE-8846703194,PC-id_75400204	333.773	HTPNJJBWHGYVRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087484
O=C(c1cc2n(n1)CCO2)N1CCN(CC1)c1nccc(c1)Cl	EMOLS-id_319174072	333.773	DRHZPBUOLAVKRJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-087485
O=C(C(=O)NCc1nnc2n1CCC2)Nc1ccc(c(c1)Cl)C	GD-id_ZINC41234712	333.773	QXLOVWDVNAVJMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087486
c1(NC(=O)Cn2cc(Cl)ccc2=O)sc2c(CCC2)c1C#N	EMOLS-id_180183162,MCULE-8029266164,PC-id_84314515	333.793	NRAKWGAUOLBEJX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087487
Cc1cc(O[C@H](C)C(=O)Nc2c3c(nn2C)CCC3)ccc1Cl	ZINC22_620886544	333.813	UXCIWMZWHGMFRZ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087488
Cc1cc(O[C@@H](C)C(=O)Nc2c3c(nn2C)CCC3)ccc1Cl	ZINC22_65855809	333.813	UXCIWMZWHGMFRZ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-087489
CCC(c1cccc(c1)Cl)(C(=O)NCc1cnc2n1CCC2)O	EMOLS-id_320146338,MCULE-2685018459	333.813	WGHDEQVLMMGEIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087490
CCC(c1cccc(c1)Cl)(C(=O)NCc1n[nH]c2c1CCC2)O	EMOLS-id_319878166	333.813	PKIFJZYJACXELI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087491
CC(C)Oc1cccc(C(=O)NCc2cnc3n2CCC3)c1Cl	EMOLS-id_317029653,ZINC22_952876395,MCULE-6785773077	333.813	PFQIIQJDZZCFMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087492
CC(Oc1ccc(cc1C(=O)NCc1cnc2n1CCC2)Cl)C	EMOLS-id_319050522	333.813	VLSLMWVFVIFJJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087493
Clc1cccc(c1)OC(C(=O)NCc1n[nH]c2c1CCC2)(C)C	EMOLS-id_318964232	333.813	RLDSEKBIGCBKNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087494
Clc1ccc(cc1)OC(C(=O)NCc1n[nH]c2c1CCC2)(C)C	MCULE-2847520928,EMOLS-id_320139190	333.813	QVLOLKPMTYLRPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087495
Clc1ccc(OC(C(=O)Nc2n(nc3c2CCC3)C)(C)C)cc1	PC-id_45536815	333.813	NXZPBPBQTOVEGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087496
O=C(c1n[nH]c2c1CCC2)N(CCCO)Cc1cccc(Cl)c1	MCULE-1605815533,ZINC22_96485227,EMOLS-id_49121660,PC-id_84590401	333.813	BJKUTRFGAYGXBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087497
O=C(C(Oc1ccc(c(c1)C)Cl)C)Nc1n(C)nc2c1CCC2	MCULE-1936903954,EMOLS-id_316831642	333.813	UXCIWMZWHGMFRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087498
O=C(C(Oc1ccc(c(c1)C)Cl)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320028229,MCULE-9466864357	333.813	OMFHFXRRUBEMIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087499
O=C(C(Oc1cc(C)ccc1Cl)C)NCc1cnc2n1CCC2	MCULE-6862879774,EMOLS-id_320018060	333.813	IAAZCHSKYWEPSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087500
O=C(NCc1cnc2n1CCC2)COc1cc(C)c(c(c1)C)Cl	MCULE-8940955781,EMOLS-id_320079163	333.813	ZIAIHOUIBFRTKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087501
O=C(NCc1n[nH]c2c1CCC2)COc1cc(C)c(c(c1)C)Cl	EMOLS-id_320189830,MCULE-4981335474	333.813	SXKLPOGLECWTSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087502
Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_96016030,ZINC22_75602343	333.816	DBCHMNQLKJPOCJ-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-087503
Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_75602342,PC-id_96016029	333.816	DBCHMNQLKJPOCJ-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-087504
CC(C)[C@H](NC(=O)Nc1cccc(Cl)c1)c1nnc2n1CCC2	PC-id_95323005,ZINC22_69740617	333.816	BTIGCSIXNSXVPP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087505
CC(C)[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nnc2n1CCC2	PC-id_95323006,ZINC22_69740618	333.816	BTIGCSIXNSXVPP-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087506
Clc1ccc(cc1)C(NC(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_318500241	333.816	FBFPQOLRDRBNCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087507
Clc1ccc(cc1)C(N(C(=O)NCc1nnc2n1CCC2)C)C	EMOLS-id_318522294	333.816	RHRQVDYGTDBSMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087508
Clc1cccc(c1)C(N(C(=O)NCc1nnc2n1CCC2)C)C	EMOLS-id_318582130	333.816	CGJYWRCWOPMOMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087509
Clc1cc(NC(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1	PC-id_53601048,EMOLS-id_36704494,MCULE-7371541660	333.816	BTIGCSIXNSXVPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087510
Clc1n(nc(c1C1N(CCC1)C(=O)c1n[nH]c2c1CCC2)C)C	EMOLS-id_43374115,PC-id_72143430,MCULE-5000360460	333.816	DBCHMNQLKJPOCJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-087511
O=C(Nc1cccc(c1C)Cl)CCNC1CC(n2c1ncn2)C	EMOLS-id_319691563	333.816	LABOCTNDRDDWAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087512
O=C(N(C(c1ccccc1Cl)C)C)NCc1nnc2n1CCC2	EMOLS-id_318736224	333.816	FZZZHURCKVMHOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087513
Clc1sc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cn1	PC-id_61047385	333.818	ZNKZXEVLYZUZMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087514
Clc1sc(S(=O)(=O)NC(c2n3CCCc3nn2)C)cn1	PC-id_61053247	333.818	LQXUJPXFEGTYED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087515
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(nc1)Cl	PC-id_109786162	333.819	AWASBKQWUROHGZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087516
c1(c2CCCc2sc1NC(=O)CCl)C(=O)c1ccccc1C	PC-id_25916026,MCULE-2192201898,EMOLS-id_17272452,ASN-17326347	333.832	QYZNBYUYYFAAFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087517
COC(=O)C1CCn2c1cc(c2C(=S)c1ccccc1C)Cl	SCHEMBL11265616	333.832	YPTNWQLUTFJJIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087518
COC(=O)C1CCn2c1cc(c2C(=S)c1cccc(c1)C)Cl	SCHEMBL11268065	333.832	RYDITBMXPCOHBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087519
COC(=O)C1CCn2c1cc(c2C(=S)c1ccc(cc1)C)Cl	SCHEMBL11269227	333.832	RZRYZUIUMUVGQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087520
CCC(CC)c1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324852460	333.836	ORXWHASNPRJZPG-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-087521
CCC(CC)c1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324851434	333.836	WTABFNQEQIQJEZ-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-087522
n12c(=O)c(=Cc3ccccc3Cl)sc1nc(C(CC)CC)n2	MCULE-4179407648	333.836	ORXWHASNPRJZPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087523
n12c(=O)c(=Cc3ccc(cc3)Cl)sc1nc(C(CC)CC)n2	MCULE-4683635382	333.836	WTABFNQEQIQJEZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087524
COC(c1ccc(cc1)Cl)C(NC(c1nn2c(c1)CCC2)C)C	EMOLS-id_318052261	333.856	JWACIOQCYKFZEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087525
Clc1cccc(c1)C1CNCCN1Cc1sc2c(n1)CCC2	EMOLS-id_317994178,MCULE-5283713732	333.879	JNVWYCYMILOCGX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087526
Clc1ccccc1C1CNCCN1Cc1sc2c(n1)CCC2	MCULE-5196084243,EMOLS-id_318340831	333.879	JGYGVARTNKGGNW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087527
Clc1ccc(NCc2cc3n(n2)CCC3)cc1SCC1CC1	ZINC22_2325824822	333.879	RIIDVBKUGLJGQY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-087528
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)F)NC(=O)[O-]	PC-id_150827819	334.101	KLHMUVAOAPIZGE-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-087529
CC(C1=CC=CC=C1)(C2=NNC3=C2CN(C3)S(=O)(=O)C)C(=O)N	PC-id_153863745	334.11	LGSZVRKZDVQONR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087530
C1CC2=C(C1)SC(=N2)CC3CCN(CC3)CC4=CN=C(S4)N	MCULE-3642527232,EMOLS-id_317743294,PC-id_154783322	334.129	CVXGTUNKUADYAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087531
CCOC(=O)Cn1nc2CCC(C)c2c1I	EMOLS-id_330965174,MCULE-6665504018	334.153	VSEOOUJDMFJBTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087532
CCOC(=O)Cn1nc(I)c2C(C)CCc12	EMOLS-id_330983924,MCULE-3289951507	334.153	PKCGOZWPWPYLFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087533
Ic1nn(c2c1CCC2)C(=O)OC(C)(C)C	SCHEMBL19100814	334.153	FQDXGSSOJITFPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087534
CN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=CN=CC=C4)N)C=N1	PC-id_161061764	334.154	YDSHOYRXMPSZOZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-087535
CN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=CN=CC=C4)N	PC-id_148620315	334.154	NGDIMTRMIVJXRQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-087536
CC1=C(C(=Nc2cc(c(c(c2)Cl)O)Cl)c2nnc(n12)C)[N+]#[C-]	PC-id_136023419	334.16	RHLUVELEDMDQOD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-087537
C1[C@H](CO[C@@H]([C@H]1N)c1c(ccc(c1)F)F)CN1Cc2c(C1)[nH]nc2	PC-id_164088899	334.161	XEIIKXLVNFLCKV-GLZQIGESSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087538
Brc1c2n(CCC2C(=O)O)c(c1)C(=O)c1ccccc1	PC-id_15580630,EMOLS-id_193059501,SCHEMBL11003009	334.165	QUGMOATWHYRJFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087539
Brc1cc2n(CCC2(C(=O)c2ccccc2)C(=O)O)c1	SCHEMBL11303926,PC-id_70559540	334.165	UEHXXYMDWGENCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087540
Brc1cc(C(=O)c2n3CCC(c3cc2)C(=O)O)ccc1	SCHEMBL11603508,PC-id_20351656	334.165	MAZGJNIMWPHPIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087541
O=C(c1ccc(Br)cc1)c1ccc2n1CCC2C(=O)O	SCHEMBL11607407,PC-id_13487040,CHEMBL8991	334.165	SFRVPRYKCMAUMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087542
O=C(c1ccccc1)c1c(Br)cc2n1CCC2C(=O)O	CHEMBL167137,SCHEMBL11265451,PC-id_13068179	334.165	ZNSYQDFVVYYYIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087543
c12CN(Cc1nn(CCF)c2Br)C(=O)OC(C)(C)C	EMOLS-id_324341613,MCULE-7031935409	334.185	KCLJVOKROQHGHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087544
CC1=C(c2cncn2C1CC(C1CCC(CC1)(F)F)O)/C=CC=C	PC-id_163826010	334.186	NZOCUJWNXUVIMY-PLNGDYQASA-N	00000011100010000001000010000000000000000000000000000000	25-01-087545
CC1CCc2c1c(nn2Cc1cc(Br)ccc1F)C#N	MCULE-6693970992,EMOLS-id_331020278	334.186	KJIRXCDSYMCBDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087546
CC1CCc2c1c(nn2Cc1ccc(Br)cc1F)C#N	EMOLS-id_331018742,MCULE-8938337991	334.186	FCFLGQIXIZWOKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087547
CC1CCc2c1c(nn2Cc1ccc(Br)c(F)c1)C#N	MCULE-2012993750,EMOLS-id_331018998	334.186	AYJHKTPTJMLTJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087548
CC1CCc2c1c(nn2Cc1cccc(Br)c1F)C#N	MCULE-9541203668,EMOLS-id_331020534	334.186	QEPLAORDEGCHLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087549
CC1CCc2c1c(nn2Cc1cccc(F)c1Br)C#N	MCULE-6119523070,EMOLS-id_331018487	334.186	AYPJDTKVIFINSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087550
CC1CCc2c1c(nn2Cc1ccc(F)c(Br)c1)C#N	EMOLS-id_331020022,MCULE-6991001730	334.186	OVXISXCODCUBHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087551
CC1CCc2c1c(nn2Cc1ccc(F)cc1Br)C#N	EMOLS-id_331022070,MCULE-3350140081	334.186	FQMIAOSGOQNODV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087552
CC1CCc2c1c(nn2Cc1cc(F)cc(Br)c1)C#N	EMOLS-id_331020790,MCULE-1483954693	334.186	MXPMSHHKKMKBBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087553
CC1CCc2c1c(nn2Cc1c(F)cccc1Br)C#N	MCULE-1486908737,EMOLS-id_331022326	334.186	PONDJFCADSLVMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087554
CC1CCc2nn(Cc3cc(Br)ccc3F)c(C#N)c12	MCULE-1855070071,EMOLS-id_331005104	334.186	SQUHHTVTRGLPOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087555
CC1CCc2nn(Cc3ccc(Br)cc3F)c(C#N)c12	MCULE-7120978754,EMOLS-id_331003568	334.186	RAJLTGUEWUOKQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087556
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(C#N)c12	EMOLS-id_331003824,MCULE-5109672116	334.186	BGWPFDFTLDKBCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087557
CC1CCc2nn(Cc3cccc(Br)c3F)c(C#N)c12	MCULE-9822621368,EMOLS-id_331005360	334.186	KAXSPJGRIQSTCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087558
CC1CCc2nn(Cc3cccc(F)c3Br)c(C#N)c12	EMOLS-id_331003313,MCULE-3756943173	334.186	ZYEJBWLIULFVPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087559
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(C#N)c12	EMOLS-id_331004848,MCULE-9600216323	334.186	YZCJVSNXUYZADF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087560
CC1CCc2nn(Cc3ccc(F)cc3Br)c(C#N)c12	EMOLS-id_331002801,MCULE-3800785277	334.186	QOJNSGVFQGQVOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087561
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(C#N)c12	EMOLS-id_331005616,MCULE-9576811061	334.186	QNOHRKCHCLKOAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087562
CC1CCc2nn(Cc3c(F)cccc3Br)c(C#N)c12	MCULE-7433281954,EMOLS-id_331003057	334.186	IVBRWNXHTHCUEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087563
COCCC(=O)N1Cc2sc(C(=O)O)c(Br)c2C1	MCULE-4099754783,ZINC22_585134435,EMOLS-id_177329725	334.186	STJLNEBUBXPHRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087564
Brc1c2C(CCc2[nH]c1C(=O)O)CCc1ccccc1	PC-id_59180118,SCHEMBL1004821	334.208	MUGMWUWBNSAOJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087565
Brc1cc(CC2CCc3c2[nH]c(c3)C(=O)OC)ccc1	PC-id_59180169,SCHEMBL1004115	334.208	JMDVLEBUXBXUJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087566
Brc1cc(CC2CCc3[nH]c(cc23)C(=O)OC)ccc1	PC-id_59180244,SCHEMBL1005383	334.208	JTQUXWRYCBECID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087567
Brc1ccc(CC2CCc3[nH]c(cc23)C(=O)OC)cc1	SCHEMBL1004000,PC-id_59180070	334.208	JOHOQXZLWNHCLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087568
Brc1ccc(c(c1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320238149,MCULE-2874682052	334.211	YEMOPLMCWNJJLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087569
Brc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318815618	334.211	OSJJNZVODQMCLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087570
c1(C(=O)Nc2ccc(c(Br)c2)C)c2CCCc2n(C)n1	MCULE-4985508613,EMOLS-id_179745346,PC-id_110389094	334.211	CPTAIMLYJCIDIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087571
c1(C(=O)Nc2ccc(cc2Br)C)c2CCCc2n(C)n1	PC-id_110389127,EMOLS-id_179745445,MCULE-1990915959	334.211	INVNDLMWAPKGAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087572
c1(C(=O)Nc2ccc(cc2C)Br)c2CCCc2n(C)n1	MCULE-4324204803,EMOLS-id_179745448,PC-id_110389128	334.211	MBUMZCDNXSBSPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087573
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(Br)c2)n1	EMOLS-id_331038472,MCULE-3724914208	334.211	MZXAIPRHEVWBSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087574
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2Br)n1	EMOLS-id_331036169,MCULE-6764127246	334.211	VDFMFFVQHIVPKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087575
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)Br)n1	EMOLS-id_331037192,MCULE-9433326154	334.211	WVMFTAKTFIDNRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087576
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(Br)c1	MCULE-1435165322,EMOLS-id_331020466	334.211	IGIACHQAHJOZGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087577
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1Br	MCULE-2190913493,EMOLS-id_331022258	334.211	PMJZHPUTROFKEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087578
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)Br	MCULE-6427051107,EMOLS-id_331019186	334.211	AEMZAUSYRMBXHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087579
c1(C(=O)Nc2ccc(c(C)c2)Br)c2CCCc2n(C)n1	EMOLS-id_179745451,MCULE-2769301030,PC-id_110389129	334.211	UOYRHHKQUJUQHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087580
c1(C(=O)Nc2cc(C)ccc2Br)c2CCCc2n(C)n1	MCULE-6731162979,PC-id_84467510,EMOLS-id_320481548	334.211	OWLAUJSXYVRCOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087581
c1(C(=O)Nc2cc(C)c(cc2Br)C)c2CCCc2[nH]n1	MCULE-3188845332,EMOLS-id_335097922	334.211	OQTZXIBURMXWCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087582
c1(C(=O)Nc2ccc(c(C)c2C)Br)c2CCCc2[nH]n1	MCULE-7582395910,EMOLS-id_335110220	334.211	HBSGGQMHGFFKBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087583
c1(C(=O)Nc2c(C)cc(c(C)c2)Br)c2CCCc2[nH]n1	EMOLS-id_335127110,MCULE-3977736835	334.211	SAJFLZALIUSULM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087584
Cc1ccc(c(c1)Br)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317937250	334.211	NJRMCIUPATYYAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087585
Cc1ccc(c(c1)Br)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319540602	334.211	OMAVILBOCYVELD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087586
CCN(C(=O)c1n[nH]c2c1CCC2)c1cccc(c1)Br	EMOLS-id_318476340	334.211	ONVRUTBPXSVKBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087587
Cn1nc2c(c1NC(=O)Cc1ccc(Br)cc1)CCC2	ZINC22_58425012,PC-id_47777751,MCULE-7632119655,EMOLS-id_33313571	334.211	ZXDHYIYJBQBLNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087588
O=C(c1cccc(c1Br)C)NCc1cnc2n1CCC2	EMOLS-id_317937077,MCULE-8895418159	334.211	IKNZLIJMMBQMJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087589
O=C(c1ccc(c(c1)Br)C)NCc1cnc2n1CCC2	EMOLS-id_317968987,MCULE-7343065049	334.211	UQEBDODQMNAQDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087590
O=C(c1cccc(c1Br)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319031334	334.211	KEGVZHVVFBDWLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087591
O=C(c1cccc(c1C)Br)NCc1cnc2n1CCC2	EMOLS-id_317940361	334.211	OIELKCNXRCHEEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087592
O=C(c1cccc(c1C)Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319578724	334.211	WELOYKWRJAFLKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087593
O=C(c1c(C)cccc1Br)NCc1cnc2n1CCC2	EMOLS-id_317953398	334.211	GKWYRHWBMFTCMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087594
O=C(Cc1cccc(c1)Br)NCc1cnc2n1CCC2	EMOLS-id_319355107	334.211	STDJCSCVDSFBHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087595
O=C(Cc1ccccc1Br)NCc1cnc2n1CCC2	EMOLS-id_319368883	334.211	SKNRNEPMAWBMFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087596
O=C(Cc1ccccc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_318861894	334.211	ABXKILQWFZVJCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087597
O=C(Cc1cccc(c1)Br)NCc1n[nH]c2c1CCC2	MCULE-5436744789,EMOLS-id_320005701	334.211	VPWAULDGYLOCED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087598
c12CN(Cc1sc(Br)c2CO)C(=O)OC(C)(C)C	EMOLS-id_331064356,MCULE-8577330800	334.229	NMHCWUMDDKKPCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087599
N#Cc1ccc(nc1)CNC1CCc2c1cc(s2)Br	EMOLS-id_318728912,MCULE-4371282298	334.234	PAGBXOYYGVHYEM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-087600
CCCCCC1=CC2=C(O1)C[C@H]([C@@H]2/C=C/[C@H](C(C)CCCC)O)O	PC-id_153717690	334.251	CVJNQLMRBLFBGS-FIELZCBUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087601
Brc1ccccc1C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_318043909,MCULE-8934622478	334.254	ASIUVFNOSVSKOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087602
Brc1cccc(c1)C(CNC1CCn2c1ncc2)(C)C	EMOLS-id_318215996,MCULE-2140096854	334.254	YGTFMWFYPJRSNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087603
Brc1ccc(cc1)C(NCc1cnc2n1CCC2)(C)C	EMOLS-id_318293804,MCULE-4851780335	334.254	IKUVVKTVVDIZTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087604
Brc1ccccc1C(NCc1cnc2n1CCC2)(C)C	EMOLS-id_318386188,MCULE-4238924749	334.254	MNNDHZFBFILISF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087605
c12CN(Cc1nn(C(C)(C)C)c2Br)Cc1ccccc1	EMOLS-id_324339822,MCULE-4278225044	334.254	FQNKDNUHMPXYTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087606
CC1CCc2c1c(CN)nn2Cc1ccc(Br)cc1C	EMOLS-id_331013119,MCULE-9224742409	334.254	WFTDKOHGKXSCKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087607
CC1CCc2c1c(CN)nn2Cc1ccc(Br)c(C)c1	EMOLS-id_331013375,MCULE-2182556327	334.254	XMRKAXAKGHLFFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087608
CC1CCc2c1c(CN)nn2Cc1ccc(C)c(Br)c1	EMOLS-id_331014384,MCULE-8973357175	334.254	ZAPFNPUHPMXGLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087609
CC1CCc2c1c(CN)nn2Cc1cc(C)cc(Br)c1	EMOLS-id_331014640,MCULE-2959044390	334.254	ARAXJEBDTAPHML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087610
CC1CCc2c1c(CN)nn2Cc1cc(C)ccc1Br	EMOLS-id_331016432,MCULE-3109428424	334.254	SZMUJNRNIIJNPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087611
CC1CCc2c1c(CN)nn2Cc1cccc(C)c1Br	MCULE-1965189788,EMOLS-id_331016688	334.254	KNQIYMAARYERJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087612
CC1CCc2c1c(CN)nn2Cc1ccc(C)cc1Br	MCULE-9117283306,EMOLS-id_331016176	334.254	KELLTCPLNGEASX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087613
CC1CCc2nn(Cc3ccc(Br)cc3C)c(CN)c12	EMOLS-id_330994874,MCULE-8667308393	334.254	ZMVCMAOJJRQGKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087614
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(CN)c12	MCULE-6401816686,EMOLS-id_330995130	334.254	NPTZAFBGWISDPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087615
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(CN)c12	EMOLS-id_330996154,MCULE-1224494879	334.254	PQJDGXPCHZJZGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087616
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(CN)c12	EMOLS-id_330996410,MCULE-5452069305	334.254	UPJCPGMGLKOHOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087617
CC1CCc2nn(Cc3ccc(C)cc3Br)c(CN)c12	EMOLS-id_330993851,MCULE-8375571182	334.254	QMDFTSNGZHXYFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087618
CC1CCc2nn(Cc3cc(C)ccc3Br)c(CN)c12	EMOLS-id_330994107,MCULE-5165164254	334.254	KXKSLJPDFBRXOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087619
CC1CCc2nn(Cc3cccc(C)c3Br)c(CN)c12	EMOLS-id_330994363,MCULE-3712389327	334.254	DUCXOQWIAKVABI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087620
CC(Cc1cccc(c1)Br)NCc1cnc2n1CCC2	EMOLS-id_318133419	334.254	IAUISCONKNAHQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087621
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)NCC)C(=O)OCC	EMOLS-id_324355170,MCULE-5458145921	334.294	WZLGCBRLIOPFBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087622
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2)C#N)n1	ZINC22_303744,PC-id_798517,MCULE-9591756577,CoCoCo_6628335,EMOLS-id_7709380,TIMTEC244838	334.296	JOZMHWLTNWKEBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087623
CC1=Nn2c(nc(n2)C)C1=NNc1c(cnn1c1ncncn1)C#N	PC-id_88983238	334.299	MKWSXZKNEWQBGD-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-087624
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1ncncn1)C#N)C	PC-id_88873660	334.299	ZHEQQOMZIZXVOB-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-087625
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ncncn3)/c1nc(n2)C)C	PC-id_58113681	334.299	NQPKMTKGRGIXSV-JMIUGGIZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-087626
n12N=C(/C(=N/Nc3n(ncc3[N+]#[C-])c3ncncn3)/c1nnc2C)C	PC-id_58090637	334.299	BNQWZNLGSFWFEL-JMIUGGIZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-087627
n12N=C(C(=NNc3n(ncc3[N+]#[C-])c3ncncn3)c1nnc2C)C	PC-id_76663857	334.299	BNQWZNLGSFWFEL-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-087628
COc1cc(/C=c/2sc3nc(C)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324842210	334.307	MSZILYVEBFXWSK-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087629
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)C	MCULE-7870258710	334.307	MSZILYVEBFXWSK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-087630
O=C(Nc1nc2c(s1)CCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	MCULE-4007019483,ZINC22_6505238,PC-id_4434320,EMOLS-id_48207969	334.307	VHQMWLPEPOVTSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087631
COC(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)F)F	PC-id_139507387,SCHEMBL21378246	334.317	VRSIGSGYIMFEBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087632
C1CN(CCN1c1ccccc1F)C(=O)c1nn2CCOc2c1F	PC-id_91960101	334.321	JAPWNLDMAOLRRB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087633
O=C(C1NCc2c1c[nH]n2)N1CCOC(C1)c1ccc(c(c1)F)F	EMOLS-id_320075889,MCULE-9694499672	334.321	LVIJAGBVRSTRST-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087634
O1C(=O)c2n(c(=O)n(c2C1=O)Cc1ccccc1)Cc1ccccc1	PC-id_22494909,SCHEMBL6289328	334.325	XCCVKCLTLLHYOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087635
s1c2c(C(=O)C(=C2[N+](=O)[O-])C=Cc2sc([N+](=O)[O-])cc2)cc1	PC-id_76694104	334.327	UVDBQBRFQGUNND-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-087636
c12CN(Cc1nn(CC(F)(F)F)c2CNC)C(=O)OC(C)(C)C	MCULE-9503222971,EMOLS-id_324352611	334.337	LPKZCBLQNHLHIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087637
CC(C)(C)NS(C)(C)C1C=Cc2c1scc2Br	SCHEMBL15290414,PC-id_89828389	334.339	LKSGAXQPBRLYOG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-087638
c1(c(F)ccc(F)c1)OCC(=O)Nc1sc2CCCc2c1C#N	MCULE-4034826773,EMOLS-id_328035862	334.34	ITYMSEFDNBIHIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087639
c1(NC(=O)c2cccc(c2)OC(F)F)sc2c(CCC2)c1C#N	PC-id_843372,TIMTEC585660,MCULE-3980124001,ZINC22_374232,SPECS-id_AK-968/41922906,EMOLS-id_8850407,CoCoCo_6926720	334.34	YYZSIQQKUSTPQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087640
c1(NC(=O)c2ccc(cc2)OC(F)F)sc2c(CCC2)c1C#N	ZINC22_1465700,TIMTEC249124,CoCoCo_3268174,MCULE-3134423221,PC-id_1536974,EMOLS-id_3064492	334.34	JTRUOKFCENZEJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087641
c1(NC(=O)COc2ccc(cc2F)F)sc2c(CCC2)c1C#N	CHEMBL6625,TIMTEC602750,ZINC22_139883,PC-id_728855,MCULE-2995804774,ChEMBL-DNDi_CHEMBL6625,CoCoCo_1070720,EMOLS-id_8317999	334.34	ZSEOUPPCMPPBIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087642
N#Cc1c(NC(=O)CCc2cc(F)ccc2F)nc2n1CCS2	MCULE-3208514615,EMOLS-id_42895001,PC-id_72132818,ZINC22_72287809	334.344	OTQFGDOEBCCFCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087643
c1(NC(=O)C(=O)NCc2ccco2)sc2c(CCC2)c1C(=O)O	STOCK6S-08332,EMOLS-id_4737156,ZINC22_6669431,PC-id_8034541,MCULE-6451066599	334.347	JBCXTUHTPCLKIH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087644
CCOC(=O)c1c2CCCc2sc1/N=C/c1ccc(o1)[N+](=O)[O-]	ZINC22_3110678,TIMTEC373254,PC-id_16761136,EMOLS-id_27251814	334.347	PCDHCJDGPZOTMA-LZYBPNLTSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087645
CCOC(=O)c1c(N=Cc2ccc(o2)N(=O)=O)sc2c1CCC2	MCULE-7142270251,PC-id_7035639	334.347	PCDHCJDGPZOTMA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087646
NC(=O)c1c(NC(=O)COC(=O)c2ccco2)sc2c1CCC2	PC-id_3569526,MCULE-9356050208,CoCoCo_3036675,EMOLS-id_3405076,ZINC22_5856262	334.347	DXBAHMLUXOMULH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087647
O=C(NNC(=O)c1ccco1)COC(=O)c1sc2c(c1)CCC2	CoCoCo_2840820,EMOLS-id_11865876,MCULE-5588016933,PC-id_7623696	334.347	QYFCETAUEGRTQN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087648
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)NC(=O)OC	PC-id_7521446	334.347	FKLROGZVNMKHQC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087649
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)N	PC-id_42980294	334.347	FWHMTYXDSNAEBJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087650
s1c2CCCc2c(c1NC(=O)COC(=O)C1=COCCO1)C#N	PC-id_16529396	334.347	QRNOOLIMUKMHHR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-087651
c12c(CCC1C(=O)OCC)sc(NC(=O)c1ccc(=O)[nH]n1)n2	MCULE-3273555136,EMOLS-id_30149389,PC-id_45504097	334.35	XYMNPLCXJLBJGU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087652
c12c(CCC1C(=O)OCC)sc(NC(=O)c1ncnc(O)c1)n2	EMOLS-id_54867084,PC-id_91816221,MCULE-5302131161	334.35	ACLBZBPVVXCQBL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087653
Cc1cc(no1)C(=O)N1CC(C1)C(=O)Nc1c2CSCc2no1	PC-id_90511600	334.35	TWAYUOIYHFUQOD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-087654
CCOC(=O)c1c2c(n[nH]1)C(=NCc1ccccc1)NS2(=O)=O	PC-id_135541481	334.35	UVTVAONDVNVQTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087655
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(O)nn3)nc12	PC-id_51894260,ZINC22_38488744	334.35	XYMNPLCXJLBJGU-SSDOTTSWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087656
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(O)nn3)nc12	ZINC22_38488746,PC-id_51894262	334.35	XYMNPLCXJLBJGU-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087657
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cc(O)ncn3)nc12	ZINC22_252478077,PC-id_137052762	334.35	ACLBZBPVVXCQBL-SSDOTTSWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087658
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cc(O)ncn3)nc12	ZINC22_252478078,PC-id_137052763	334.35	ACLBZBPVVXCQBL-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087659
s1c2CCC(c2nc1NC(=O)C1N=NC(=O)C=C1)C(=O)OCC	PC-id_75118907	334.35	URZYAYJHGOFMQW-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-087660
C1c2c(CN1S(=O)(=O)N)[nH]nc2NC(=O)C=Cc1cnccc1	SCHEMBL2923272,SCHEMBL2923274,PC-id_87455829	334.354	CYIFJCKEWPVRKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087661
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)/C=Cc1cccnc1	SCHEMBL2923269	334.354	CYIFJCKEWPVRKS-ARJAWSKDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087662
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)/C=Cc1ccncc1	SCHEMBL2917659	334.354	CTKJDQMFYIXVPS-UPHRSURJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087663
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)N)C=Cc1ccncc1	PC-id_68440385,SCHEMBL2917665	334.354	CTKJDQMFYIXVPS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087664
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1F)C	EMOLS-id_330976695,MCULE-3159837570	334.36	WCWVDOODSUYZDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087665
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(C)cc(cc2F)F)n1	MCULE-7151370574,EMOLS-id_330998769	334.36	OWPJUOFZFRAWEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087666
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(F)c2C)F)n1	MCULE-5464897196,EMOLS-id_330998513	334.36	ZOJFIIYIFVWYQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087667
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)cc(F)c2C)n1	MCULE-9124821645,EMOLS-id_330998257	334.36	IXCBMDRLEWOJFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087668
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(F)c1C)F	MCULE-7959997510,EMOLS-id_330979260	334.36	JOWATEJCSOUHTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087669
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)cc(F)c1C	EMOLS-id_330979004,MCULE-9077212025	334.36	NQAVKIZVULHPQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087670
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1F)F	EMOLS-id_330980031,MCULE-7916868673	334.36	VGMWRMKOFJUYOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087671
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)F	EMOLS-id_330980287,MCULE-4316925573	334.36	NUDDFBONHZEEBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087672
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(F)c1F	MCULE-9901747273,EMOLS-id_330984881	334.36	SCPVFLJMJTVQEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087673
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(F)ccc1F	EMOLS-id_330984625,MCULE-2031857246	334.36	WSPAAXOMWJKHPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087674
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(C)cc(F)cc1F	EMOLS-id_330979516,MCULE-5882343736	334.36	VJRLVOYJJMLSKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087675
CCOC(=O)c1c2C(C)CCc2nn1C(C)c1c(F)cccc1F	MCULE-9465877732,EMOLS-id_330984369	334.36	VGBXJHPUVRYONM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087676
s1c2CCCc2cc1C(=O)OCC(=O)c1cc(F)c(OC)cc1	PC-id_7546451	334.362	XRCSPDQFVSMKET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087677
s1c2CCCc2cc1C(=O)OCC(=O)c1c(OC)ccc(F)c1	PC-id_7238732	334.362	PFMBILQUUONAOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087678
c12CN(Cc1nn(CC(F)F)c2C(=O)NCC)Cc1ccccc1	EMOLS-id_324355427,MCULE-2099065933	334.364	JSEKDFDIMZFIAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087679
c1(CN(C)CCC(=O)Nc2c(F)ccc(F)c2)c2CCCc2[nH]n1	ZINC22_244899637,MCULE-5982284502,EMOLS-id_55630002,PC-id_91832420	334.364	ZNEHDENVZYCPHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087680
Fc1cc(N2CCOCC2)c(cc1NC1CC(n2c1ncc2)C)F	MCULE-5027624544,EMOLS-id_318715649	334.364	GGOBODLUNXCSNN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-087681
c1(NC(=O)COc2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	EMOLS-id_3518354,TIMTEC373509,CoCoCo_1071494,PC-id_8012065,ZINC22_6609071,MCULE-6803303919	334.365	PCKGVUUQBRDJSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087682
CC(c1ccc(cc1)F)NC(=O)c1cc(c2n1CCS2)C(=O)O	PC-id_89733972	334.365	ATNFVWOEPTYDAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087683
CC(c1ccc(cc1)F)NC(=O)c1cc(c2n1CSC2)C(=O)O	PC-id_89734097	334.365	GJTQXJSSFKIXRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087684
Fc1ccc(cc1)[C@H](NC(=O)c1cc(c2n1CCS2)C(=O)O)C	SCHEMBL15166113	334.365	ATNFVWOEPTYDAY-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087685
Fc1ccc(cc1)[C@H](NC(=O)c1cc(c2n1CSC2)C(=O)O)C	SCHEMBL15166256	334.365	GJTQXJSSFKIXRS-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087686
O=C(Nc1cc(O)ccc1F)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318946941	334.365	BGFSPXLMTAQWSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087687
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(F)c(OC)cc1	PC-id_27684625	334.365	JZXJTNDYLCNEJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087688
s1c2CCCc2cc1C(=O)NNC(=O)COc1ccc(F)cc1	PC-id_27684289	334.365	JSCIZHUMOWXRIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087689
s1c2CCCc2cc1C(=O)NNC(=O)COc1cc(F)ccc1	PC-id_26872395	334.365	SFOHLWUQYFBFGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087690
s1c2CCCc2cc1C(=O)NNC(=O)COc1c(F)cccc1	PC-id_26872405	334.365	VLCJEACDUSLRDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087691
s1c2c(CCC2)c(c1NC(=O)COc1c(F)cccc1)C(=O)N	PC-id_8025649	334.365	MSPPWJNCBNFXIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087692
CCNC(=NCc1cc(F)ccc1F)NCc1nnc2n1CCC2	PC-id_111780355	334.367	LIFULRGHTZHZKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087693
c12SCCn1cc(CCNC(=O)C(=O)Nc1ccc(cc1)F)n2	PC-id_18584042,EMOLS-id_5614920,MCULE-9597845255,CoCoCo_5183060,ZINC22_5345016	334.369	PWDXPKLDGBHZHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087694
CCOC(=O)NS(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_114462052	334.369	GRBKQOOMRWFFEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087695
n12CCC(C(=O)NCc3ccco3)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548402,PC-id_46861352,MCULE-7164577376	334.369	LQLOURRWHGVBNM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-087696
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1ccco1	PC-id_52340553,ZINC22_51364604	334.369	LQLOURRWHGVBNM-MRXNPFEDSA-N	00000010101000110000000010000000000000000000000000000000	25-01-087697
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1ccco1	ZINC22_51364603,PC-id_52340552	334.369	LQLOURRWHGVBNM-INIZCTEOSA-N	00000010101000110000000010000000000000000000000000000000	25-01-087698
Cc1c2n(CCO2)nc1C(=O)N1CCN(CC1)C(=O)C1CCCO1	PC-id_91959991	334.37	OPWWYKFRNYIIKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087699
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319864161	334.37	VLJMOTXSXVXZHE-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-087700
COCC1=CCN(CC1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319737585	334.37	FBSVUTXXSSNHTQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-087701
COC(=O)c1c(NC(=O)N2C[C@@H](C)C(=O)[C@@H](C2)C)nc2n1CCC2	EMOLS-id_319406592	334.37	UHEYVEXOJXQRIJ-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087702
COC(=O)c1c(NC(=O)NC23CC2COC3(C)C)nc2n1CCC2	EMOLS-id_319580141	334.37	UVSRCPOKYSSBBX-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-087703
COC(=O)c1c(NC(=O)NC2COC(C2)C2CC2)nc2n1CCC2	EMOLS-id_319792976	334.37	LAHDYCZLEFLIDY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-087704
COC(=O)c1c(NC(=O)N(CC2=CCCOC2)C)nc2n1CCC2	EMOLS-id_319679347	334.37	IBDCUHIXTBQQMQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-087705
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-5927991094,EMOLS-id_316325179	334.372	VJROGNZUFMTQJO-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087706
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316255738,MCULE-1203260749	334.372	SSFPKGBPVVLNBA-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087707
c1(C(=O)NCc2ccccc2)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-3315359539	334.372	VJROGNZUFMTQJO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087708
c1(C(=O)NCc2ccccc2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-8495774244	334.372	SSFPKGBPVVLNBA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087709
COc1ccc(cc1)Nc1cc2n(n1)CCN2C(=O)c1ccccc1	SCHEMBL12307438,PC-id_46184645	334.372	ZSUSGMZGXZCEQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087710
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cc[nH]c(=O)n1	MCULE-2575799404,EMOLS-id_328222331	334.372	XZXYTBSIJOYUPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087711
Oc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68439475,SCHEMBL2915107	334.372	MMAGTMMRLWBZEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087712
O(c1c(C(=O)NCc2n3CCCc3nn2)cccc1)c1ccccc1	PC-id_31821406	334.372	SSISAXINEVKOHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087713
O=C(c1cnc2n1CCC2)Nc1cccc(c1)OCc1cccnc1	EMOLS-id_318834563	334.372	ZHHCJHLIQFSEOM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087714
O=C(c1nc2c(o1)CN(C2)Cc1cccnc1)NCc1ccccc1	PC-id_97525781	334.372	ALNKNHPJRVBYTK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087715
O=C(c1oc2c(n1)CN(C2)Cc1ccccc1)NCc1ccncc1	PC-id_97525777	334.372	OXJWLZVGESLJMZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-087716
O=C(NCc1n2CCCc2nn1)c1ccc(Oc2ccccc2)cc1	PC-id_30093823	334.372	GJYKVTVCTFTPHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087717
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)C1CCN(CC1)C(=O)C	PC-id_46184901,SCHEMBL12307450	334.374	QODLPMOAYBPDLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087718
c1(CN(C)C(=O)c2cnc(nc2)c2cccnc2)c2CCCc2[nH]n1	EMOLS-id_46623564,MCULE-6248131374,PC-id_72885203,ZINC22_95370848	334.375	YNXCRINSMHSVHH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-087719
Fc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328218999,MCULE-5622017612	334.387	LGSPTBNNQBMBCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087720
Fc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-1951953026,EMOLS-id_328218228	334.387	HELQTBMETYVXOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087721
Fc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-4093087005,EMOLS-id_328217715	334.387	DOVCEQYEWQOZBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087722
c1(C(=O)OC)c2CCCn2nc1CS(=O)(=O)c1ccc(cc1)C	SPECS-id_AT-687/NB05066,MCULE-8241944112,ZINC22_98212421,EMOLS-id_50152153,PC-id_75527986	334.39	IKVGRQDHNAHAFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087723
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCC2)c1C(=O)N	PC-id_3626623,TIMTEC227417,MCULE-8241821517,EMOLS-id_4014742	334.39	IVNSPHHAGLJRNW-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-087724
c1(NC(=O)c2c(CC)noc2C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_11487832,PC-id_17174050,CoCoCo_1072768,ZINC22_13327536,TIMTEC106042,MCULE-6000849451	334.39	CPWXAJVWFLNLGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087725
c1(NC(=O)c2c(C)noc2C)sc2c(CCC2)c1C(=O)OCC	PC-id_17249002,TIMTEC452620,MCULE-6914805371,ZINC22_16580646,CoCoCo_1068287,EMOLS-id_14094282	334.39	SMQAWBLMYJZNQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087726
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5473157550,EMOLS-id_334338990	334.39	RJYMQZIZWFLKJM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087727
c1(NC(=O)NCc2ccco2)sc2c(CCC2)c1C(=O)OCC	MCULE-7635669250,PC-id_16766161,ZINC22_15083519,EMOLS-id_25580193	334.39	JBAGEDJNCUXGPA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-087728
c1(onc2CCCc12)NC(=O)c1cccc(c1)S(=O)(=O)C(C)C	EMOLS-id_12336685,PC-id_16942411,MCULE-7959683460,ZINC22_8976499,CoCoCo_5123868	334.39	TUGCRCOIGWHBAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087729
CC1(C(n2c(nc(c2S1)C(O)O)Cc1ccccc1)C(=O)O)C	PC-id_90869431	334.39	XGOVDQBSUBMXFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087730
CCC(C(=O)Nc1noc(c1)C)OC(=O)c1sc2c(c1)CCC2	MCULE-4540077235,EMOLS-id_11895136,PC-id_17397715	334.39	JDAWQQBOYRAUEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087731
CC[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc(C)on1	CoCoCo_4325874,ZINC22_9497832,PC-id_41095574	334.39	JDAWQQBOYRAUEH-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-087732
CC[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc(C)on1	ZINC22_9497836,PC-id_41095577,CoCoCo_4325875	334.39	JDAWQQBOYRAUEH-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087733
CCOC(=O)/C(=CNc1sc2c(c1C(=O)OCC)CCC2)/C#N	CoCoCo_4143879,PC-id_98642321	334.39	BPLUXQOIDXYOGB-KTKRTIGZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087734
CCOC(=O)C(=CNc1sc2c(c1C(=O)OCC)CCC2)C#N	EMOLS-id_26209427,PC-id_72066871,MCULE-2310990898	334.39	BPLUXQOIDXYOGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087735
CCOC(=O)/C(=C/Nc1sc2c(c1C(=O)OCC)CCC2)/C#N	PC-id_8097958,CoCoCo_4143878	334.39	BPLUXQOIDXYOGB-MDZDMXLPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087736
COc1cc(cc(OC)c1OC)C(=O)Nc1nc2CCCc2s1	ZINC22_6421575,CoCoCo_4109955,MCULE-1503853848,PC-id_4407965,EMOLS-id_8655930	334.39	FGFVPGQLWMPKLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087737
COC(=O)CCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	CHEMBL1821914,PC-id_56665237	334.39	POQDVOWBQIIZHG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-087738
NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_4359547,ZINC22_4018918,PC-id_1223788	334.39	IVNSPHHAGLJRNW-RKDXNWHRSA-N	00000010100011000000000010000000000000000000000000000000	25-01-087739
NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_1223789,ZINC22_4018917,CoCoCo_4359549	334.39	IVNSPHHAGLJRNW-IUCAKERBSA-N	00000010100011000000000010000000000000000000000000000000	25-01-087740
NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	PC-id_40437368,CoCoCo_4359550,ZINC22_2759788	334.39	IVNSPHHAGLJRNW-DTWKUNHWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-087741
NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_40470794,CoCoCo_4359548,ZINC22_4018916	334.39	IVNSPHHAGLJRNW-BDAKNGLRSA-N	00000010100011000000000010000000000000000000000000000000	25-01-087742
O=C(c1ccc(cc1)S(=O)(=O)C(C)C)Nc1onc2c1CCC2	CoCoCo_5123867,Chemmine_45374,PC-id_16942409	334.39	WKGSPFHCPNPPIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087743
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)S(=O)C)C	SCHEMBL10640751,PC-id_70410281	334.39	TUBBDKUNTZVLKB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-087744
O=S(=O)(c1ccccc1)N1Cc2c(C1)nc(o2)COCC1CC1	PC-id_97406049	334.39	NUWMTNJSXACNCD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-087745
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CC=CC)C(=O)N	PC-id_3996346	334.39	UHHXDTMRLRZWNJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087746
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/C=C/C)C(=O)N	PC-id_5981362	334.39	UHHXDTMRLRZWNJ-CRBCFSCISA-N	00000010100000000000000010000000000000000000000000000000	25-01-087747
S1Cc2c(noc2NC(=O)c2cc(OCC)c(OCC)cc2)C1	PC-id_49719042	334.39	LHPBYQPLCVZYIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087748
o1c(c2ccccc2)ccc1C(=O)Nc1sc2CCCc2c1C#N	MCULE-5658288783,EMOLS-id_328203113	334.392	NENXJUVPOHPOME-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-087749
s1c2C(=O)N(C(c3ccccc3)c3ccccc3)C(=O)c2nc1C	PC-id_85635111	334.392	RSDHFBYXUVROQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087750
c1(C(=O)/N=c/2sc(c(C(=O)OC)[nH]2)CCC)c2CCCc2[nH]n1	STOCK7S-39669,EMOLS-id_44759189,EMOLS-id_49408834,PC-id_71708557,MCULE-2534146221,ZINC22_95479318	334.393	DELVPUZLRIVTJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087751
c1(C(=O)NCc2ccc(cc2)S(=O)(=O)N)c2CCCc2n(C)n1	MCULE-3137365239,PC-id_110678741,EMOLS-id_180404731	334.393	LTYMOBHKHRFARV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087752
c1(C(=O)NCCc2ccc(cc2)S(=O)(=O)N)c2CCCc2[nH]n1	PC-id_110388848,MCULE-1931105423,EMOLS-id_179744622	334.393	ZFHBVRNRPOQXIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087753
c1(C(=O)NCCc2ccc(cc2)S(=O)(=O)N)cn2c(CCC2)n1	EMOLS-id_321294550,MCULE-7768706966	334.393	YYRZTCDSOJQTGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087754
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccsc2)n1	MCULE-4950005206	334.393	VBERCGZNIVKAFO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087755
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccsc2)n1	MCULE-8700123244,EMOLS-id_316333884	334.393	VBERCGZNIVKAFO-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-087756
c1(C(=O)OC)[nH]/c(=N/C(=O)c2c3CCCc3[nH]n2)/sc1C(C)C	PC-id_71701087,EMOLS-id_49401833,ZINC22_95472637,MCULE-8556618773,STOCK7S-39759,EMOLS-id_44759348	334.393	QEUNSENXKWRWLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087757
c1(NC(=O)c2ccco2)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277509,PC-id_30862122,ZINC22_23138784,MCULE-3570543815,EMOLS-id_24913159	334.393	BBBHEKAEPHLZJP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-087758
c1(NC(=O)COc2c(=O)cc(n(C)c2)C)n(C)nc2CSCc12	EMOLS-id_104690897,STOCK7S-62192,ZINC22_524735013,MCULE-6713968678	334.393	ZGXQTWISKFUNAH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-087759
c1(nnc2SCCn12)NC(=O)c1ccc(c(OCC)c1)OCC	EMOLS-id_16349397,CoCoCo_2590490,MCULE-5540691296,PC-id_22582950	334.393	NFVDPZVAQCNZAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087760
c1(=O)n(C)c(C(=O)NCCc2sc3c(CCC3)n2)cc(=O)n1C	MCULE-2211055615,EMOLS-id_68923075,PC-id_118786485,ZINC22_299794297	334.393	JOMNXTOPJGJJHE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087761
Cc1ccc(c(c1)NC(=O)c1cnc2n1CCC2)NS(=O)(=O)C	EMOLS-id_318212550	334.393	ACOCEFNYTJADOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087762
Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2Cc3c[nH]nc3C2)c1	ZINC22_615129531	334.393	VCRRKWQWPKMKIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087763
Cc1cn(CC(=O)NCCc2nc3CCCc3s2)c(=O)[nH]c1=O	ZINC22_220690197,PC-id_91780650,MCULE-8848401314,EMOLS-id_55624996	334.393	XJRRUOWUHHQQLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087764
Cc1nc(C(=O)Nc2cccc(NS(=O)(=O)C)c2)n2c1CCC2	ZINC22_1875331682	334.393	TVWKIHNIIBRPAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087765
CCC(=O)N(c1n[nH]c2c1CN(C2)S(=O)(=O)C)c1ccccc1	PC-id_68441464,SCHEMBL2920999	334.393	GZIFXAMUUPBGSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087767
CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCn2c1ccn2	EMOLS-id_318227879	334.393	TWHLWUMIZFVKQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087768
C[C@@H](NC(=O)c1ccc(S(=O)(=O)C)cc1)c1nnc2n1CCC2	PC-id_95177643,ZINC22_66966139	334.393	HSWNKUYWJTZCOX-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087769
C[C@H](NC(=O)c1ccc(S(=O)(=O)C)cc1)c1nnc2n1CCC2	ZINC22_66966135,PC-id_95177642	334.393	HSWNKUYWJTZCOX-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-087770
CCOC(=O)n1nc2c(c1NC(=O)c1cccs1)CNC2(C)C	SCHEMBL12879124,PC-id_58015635	334.393	RWYZWHGXHSDGFI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087771
CC(=O)Nc1cc(ccc1C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316605269	334.393	FLFOYRLDWBHNIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087772
CC(=O)Nc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)C	MCULE-6499725597,EMOLS-id_316452478	334.393	OIYBECNCUBXWOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087773
CCS(=O)(=O)NCc1ccc(cc1)C(=O)N1CCn2c1ncc2	EMOLS-id_319316550	334.393	QFDWLFVEHYEMMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087774
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(S(=O)(=O)C)cc1	ZINC22_65390726,PC-id_53499634,EMOLS-id_35706596,MCULE-1883831203	334.393	NKFJXLFCVXZTEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087775
CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(S(=O)(=O)N)cc1	MCULE-8897228451,EMOLS-id_49887237,ZINC22_215919638,PC-id_77090506	334.393	UORICXHIWBEUHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087776
CN(C)CC(=O)N1Cc2nc(C(=O)NCc3cccs3)oc2C1	EMOLS-id_44379882,PC-id_97525787,ZINC22_96266025	334.393	LNZNGJRSKOKTSB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087777
CNS(=O)(=O)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319076043	334.393	PLFGKJVZQCOCMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087778
CNS(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cc1	ZINC22_299186795	334.393	BGRBBGAIIOGJDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087779
COC(=O)c1c(NC(=O)N(Cc2cccs2)C)nc2n1CCC2	EMOLS-id_319195603	334.393	RFFLNZSDLUDKIO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087780
COC(=O)c1c(NC(=O)NCc2ccc(s2)C)nc2n1CCC2	EMOLS-id_319740098	334.393	OOGLTTMDXRPDSN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087781
COC(=O)c1c(NC(=O)N(Cc2cscc2)C)nc2n1CCC2	EMOLS-id_319385605	334.393	IERKTRSIMFKYLP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087782
COC(=O)c1c(NC(=O)NCc2sccc2C)nc2n1CCC2	EMOLS-id_319554433	334.393	GLHBKTFAWSGGON-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087783
CS(=O)(=O)c1ccc(C(=O)NCCc2nnc3n2CCC3)cc1	PC-id_145885297,MCULE-4634677532,EMOLS-id_320275172,ZINC22_42502827	334.393	QLRQHXZNBYHSSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087784
CS(=O)(=O)Cc1cccc(C(=O)NCc2nnc3n2CCC3)c1	MCULE-2084560381,PC-id_45803643,EMOLS-id_31870891,ZINC22_40486253,CoCoCo_4560511	334.393	NDFNUALXQYAOBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087785
O=C(c1cc(ccc1C)S(=O)(=O)C)NCc1nnc2n1CCC2	CoCoCo_4560418,PC-id_45864930	334.393	NQXGVKMBBCQFBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087786
O=C(c1cccc(c1)NS(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_319113064	334.393	UQAZVCWRWAUUEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087787
O=C(c1ccc(cc1)S(=O)(=O)C)NC(c1nnc2n1CCC2)C	PC-id_53529099,MCULE-1231258261,EMOLS-id_36261819	334.393	HSWNKUYWJTZCOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087789
O=C(c1nn2c(c1)OCC2)N=S(=O)(c1ccc(cc1)N(C)C)C	EMOLS-id_316943758,MCULE-3198340342	334.393	UTROARSILUBSDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087790
O=C(c1n[nH]c2c1CCC2)Nc1ccc(cc1)S(=O)(=O)N(C)C	EMOLS-id_319598413	334.393	CVZDEMZUDNYZJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087791
O=C(C(c1ccccc1)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2917224,PC-id_68440244	334.393	PMXOJQVQPUYBMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087792
O=C(Cc1ccccc1C)Nc1n[nH]c2c1CN(C2)S(=O)(=O)C	SCHEMBL2914391,PC-id_68439194	334.393	ZLDRSPCIBDSFOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087793
O=C(N1Cc2c(C1)cnn2C)CNc1ccc(cc1)S(=O)(=O)C	EMOLS-id_316639698	334.393	IPIQKAPPMSCWKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087794
O=C(N1CCn2c1ccn2)c1cccc(c1)NS(=O)(=O)C(C)C	EMOLS-id_318853648	334.393	MBLMGBLAUOZDFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087795
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)C)Cc1cccc(c1)C	SCHEMBL2917997,PC-id_68440488	334.393	KMJCUSMDCZJYJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087796
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)C)Cc1ccc(cc1)C	SCHEMBL2920526,PC-id_68441307	334.393	QMUVDBNEFHTUIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087797
s1c2CCC(c2nc1NC(=O)c1n(ncc1)CC)C(=O)OCC	PC-id_45550321	334.393	AAFTWISKIWZIPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087798
s1c2CCC(c2nc1NC(=O)c1nn(CC)cc1)C(=O)OCC	PC-id_45550380	334.393	DEGWYCRRZCSZNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087799
S1Cc2c(nn(c2NC(=O)CC)CC(=O)NCc2occc2)C1	PC-id_44053247	334.393	ASIPMZURVHZNKG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-087800
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(cc1)C(=O)C	PC-id_16588359	334.393	IZAHHEPYJLLGCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087801
c1(C(=O)Nc2sc3CCCc3c2C#N)cc(c2ccccc2)[nH]n1	MCULE-6129055945,EMOLS-id_328128033	334.395	GZPJXRBWOZGPPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087802
c1(C(=O)Nc2sc3CCCc3c2C#N)nccn1c1ccccc1	MCULE-7619524022,EMOLS-id_328205668	334.395	DSQJLZCVVCUUIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087803
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1	EMOLS-id_324919810	334.395	ROTNLIHCZNYLFO-NOCYUORASA-N	00000000110000110001000010000000000000000000000000000000	25-01-087804
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)C=Cc1ccc(cc1)C	MCULE-9956407248	334.395	ROTNLIHCZNYLFO-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-087805
N#Cc1c(NC(=O)c2ccn(c3ccccc3)n2)sc2c1CCC2	PC-id_71896534,ZINC22_78764042,MCULE-1457325197,EMOLS-id_44528846	334.395	BVDQRGUARZTOII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087806
c1(SC(C)C(=O)NCc2nnc3CCCn23)nc(C)cc(=O)[nH]1	PC-id_91772731,MCULE-1067276816,EMOLS-id_55638804	334.397	LWKNUOVWUYDMRO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087807
Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2nnc3n2CCC3)n1	PC-id_136835292,ZINC22_219701480	334.397	LWKNUOVWUYDMRO-SECBINFHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087808
Cn1nc2c(c1CN1CCO[C@H](C(=O)N3CCOCC3)C1)CCC2	ZINC22_1889101174	334.413	HCQWGCGGZWAHQO-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087850
Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2nnc3n2CCC3)n1	ZINC22_219701420,PC-id_136835291	334.397	LWKNUOVWUYDMRO-VIFPVBQESA-N	00000010100000100001000010000000000000000000000000000000	25-01-087809
N#Cc1cn(nc1NS(=O)(=O)c1cnc2n1CCC2)C(C)(C)C	EMOLS-id_100457095	334.397	ZKKWZKOHFZKXFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087810
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)c1ncccn1	EMOLS-id_100173893	334.397	QWOFIFCMUTWVLN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-087811
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)c1nccnc1	EMOLS-id_100184373	334.397	LBYBNGXVVNRAOC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-087812
O=S(=O)(c1cnc2n1CCC2)Nc1cncc(n1)N1CCCC1	EMOLS-id_98546409	334.397	SPXQNCDLGCPVHE-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-087813
S1c2n(C(=NNc3ccccc3)C1=NNc1ccccc1)ccn2	PC-id_86020788	334.398	UJGSXOUCCRXXKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087814
c12SCCn1cc(CNC(=O)C(N(C)C)c1ccccc1F)n2	EMOLS-id_46606604,PC-id_72851983,MCULE-9630328350	334.412	CYXVTEOGHBRVOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087815
c1(NC(=O)C(N(C)C)c2ccc(cc2)F)n(C)nc2CSCc12	EMOLS-id_316174073,PC-id_134709150,MCULE-1254322004	334.412	PCMBUOFRVSSRDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087816
CC(c1ccccc1)n1c(c2CN(Cc2c1O)Cc1ccccc1)O	PC-id_90777921	334.412	BTWBLIYLGWBFEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087817
CCC(CC)C(=O)NS(=O)(=O)c1[nH]cc2c1CCS2(=O)=O	PC-id_121558484,ZINC22_253415785,MCULE-9063118270,EMOLS-id_76004726	334.412	NJZDWCURTVGZTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087818
CN(C)[C@H](C(=O)Nc1c2c(nn1C)CSC2)c1ccc(F)cc1	ZINC22_1529173680	334.412	PCMBUOFRVSSRDG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087819
CN(C)[C@@H](C(=O)Nc1c2c(nn1C)CSC2)c1ccc(F)cc1	ZINC22_1529173682	334.412	PCMBUOFRVSSRDG-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087820
CN(C)[C@H](C(=O)NCc1cn2c(n1)SCC2)c1ccccc1F	PC-id_97189843,ZINC22_95357684	334.412	CYXVTEOGHBRVOM-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087821
CN(C)[C@@H](C(=O)NCc1cn2c(n1)SCC2)c1ccccc1F	ZINC22_95357685,PC-id_97189844	334.412	CYXVTEOGHBRVOM-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087822
c12CN(Cc1nn(CC1CC1)c2C(=O)NCC)C(=O)OC(C)(C)C	MCULE-3296382411,EMOLS-id_324355938	334.413	BQAFCJADAZFNBX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-087823
c12CN(Cc1nn(CC1CCCC1)c2C(=O)NCC)C(=O)OCC	MCULE-9729266110,EMOLS-id_324357985	334.413	LBXIYMNGHMTCMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087824
c12CN(Cc1nn(CCC)c2C(=O)NC1CC1)C(=O)OC(C)(C)C	MCULE-5733574090,EMOLS-id_324354918	334.413	XQOHNZHNCAYIFW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-087825
c1(c2CCCc2[nH]n1)C(=O)N1CCOCC(O)(CN2CCCC2)C1	PC-id_70782637,EMOLS-id_43602525,MCULE-5791772058	334.413	GOKNRXXSYMEZQE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087826
C1Cc2c(C1)sc(c2)NC(=O)CSc1ccc(cc1)[N+](=O)[O-]	PC-id_91027363	334.413	DISWOSRQYCFPSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087827
c1(CN2CCOC(C(=O)N3CCOCC3)C2)c2CCCc2nn1C	PC-id_155975880,MCULE-5237610139,EMOLS-id_331206851	334.413	HCQWGCGGZWAHQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087828
c1(C(=O)N2CCC(CC2)NC(=O)OC(C)(C)C)c2CCCc2[nH]n1	EMOLS-id_334784072,MCULE-9782044180	334.413	HAAOZITWTOJZCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087829
c1(C(=O)N2CC[C@@H]([C@H](CC2)N2CCOCC2)O)c2CCCc2[nH]n1	PC-id_110128412,MCULE-4114317715,EMOLS-id_48381444,BDE-33887930,ZINC22_257270738	334.413	MVLXQAVZYMEUJQ-GJZGRUSLSA-N	00000010100010000101100010000000000000000000000000000000	25-01-087830
c1(C(=O)N(C)CC(=O)N2CCCCCC2)cc2n(C[C@@H](OC)C2)n1	MCULE-2051734807,EMOLS-id_316336988	334.413	YMUHZKZHYCCHLZ-AWEZNQCLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087831
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)CC3CCCC3)C2)n1	EMOLS-id_316332862,MCULE-7201416750	334.413	AEFFTWWXUAUFSW-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087832
c1(C(=O)NCCOC)cc2n(CC(NC(=O)CC3CCCC3)C2)n1	MCULE-5785979100	334.413	AEFFTWWXUAUFSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087833
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)CC3CCCC3)Cc12	EMOLS-id_316325682,MCULE-6067800600	334.413	YUKCVYCHWCERPE-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087834
c1(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c2CCCc2[nH]n1	EMOLS-id_44413282,PC-id_110128051,MCULE-4316559811,BDE-33877164,ZINC22_257274117	334.413	NJQHUDKHPCEBDL-IIAWOOMASA-N	00000010100010000001100010000000000000000000000000000000	25-01-087835
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(cc1)OC	MCULE-9122266082,CoCoCo_6400544,EMOLS-id_322629188	334.413	RLCOHHXGDQYHIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087836
CCC1CCCN(CC1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319684610	334.413	XVTSOLXYIRQBDK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087837
CCCC1CCCCN1C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319707029	334.413	GBQWSBWRSRLAFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087838
CCCC1CCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319878731	334.413	NJROUCIDQDUNMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087839
CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1875277561	334.413	QRXREIBQVYSNQR-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087840
CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1875277562	334.413	QRXREIBQVYSNQR-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087841
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCn2ccnc12	ZINC22_585137713	334.413	QJYHQKDFJRLKGW-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087842
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCn2ccnc12	ZINC22_585137714	334.413	QJYHQKDFJRLKGW-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087843
CC[C@@H]1CC[C@H](N(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319516072	334.413	MVNDFWWYMXWHKI-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087844
CC(C)n1nc(CN(C)C(=O)C)c2CN(Cc12)C(=O)C1CCOC1	EMOLS-id_313736406	334.413	DMTAEIMCXKNSFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087845
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)C(=O)/C=C/N(C)C	SCHEMBL17380530,PC-id_118614265	334.413	UWEIIDOFFXRCQG-CMDGGOBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087846
CCOC(=O)n1nc2c(c1NC(=O)C1CCCCC1)CNC2(C)C	PC-id_58015723,SCHEMBL1206278	334.413	OIYJZRCPRIJPHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087847
CC(=O)N(C)Cc1nn(C(C)C)c2c1CN(C(=O)[C@H]1CCOC1)C2	ZINC22_1565555582	334.413	DMTAEIMCXKNSFB-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087848
CC(=O)N(C)Cc1nn(C(C)C)c2c1CN(C(=O)[C@@H]1CCOC1)C2	ZINC22_1614940050	334.413	DMTAEIMCXKNSFB-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087849
Cn1nc2c(c1CN1CCO[C@@H](C(=O)N3CCOCC3)C1)CCC2	ZINC22_1889101175	334.413	HCQWGCGGZWAHQO-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087851
Cn1nc(c2c1CN(C2)CC1CCOCC1)C(=O)N1CCOCC1	PC-id_97411488	334.413	LUMTUSCXBOFFBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087852
CNC(=O)C[C@]1(COC)CCCN1C(=O)c1nn(C)c2c1CCC2	ZINC22_585279183	334.413	VBNNHUFNQIVXRE-KRWDZBQOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087853
CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1nn(C)c2c1CCC2	ZINC22_585279186	334.413	VBNNHUFNQIVXRE-QGZVFWFLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087854
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)CC1CCCC1	MCULE-3113552429	334.413	YUKCVYCHWCERPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087855
COC(=O)c1c(NC(=O)N2CC(C2C(C)C)(C)C)nc2n1CCC2	EMOLS-id_319177180	334.413	YBZGHLBVEMLDFG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-087856
COC(=O)c1c(NC(=O)N2CCC(C2)CC(C)C)nc2n1CCC2	EMOLS-id_319200173	334.413	IURUDIXTIIIXNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087857
COC(=O)c1c(NC(=O)N2CCC(C2)C(C)(C)C)nc2n1CCC2	EMOLS-id_319219537	334.413	QVAZEKHTRSYJST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087858
COC(=O)c1c(NC(=O)N2CCC(C(C2)(C)C)C)nc2n1CCC2	EMOLS-id_319493126	334.413	XLHQQPIUUJWSMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087859
COC(=O)c1c(NC(=O)N2CCCC(C2)(C)CC)nc2n1CCC2	EMOLS-id_319845664	334.413	MOZIIDNMLJZLPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087860
COC(=O)c1c(NC(=O)N2CCCCC(C2)(C)C)nc2n1CCC2	EMOLS-id_319199825	334.413	IIYINGCHINUQFF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087861
COC(=O)c1c(NC(=O)N2CCCC(CC2)(C)C)nc2n1CCC2	EMOLS-id_319245557	334.413	UOTQCFXQWMHYJC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087862
COC(=O)c1c(NC(=O)N2CC(C)CCCC2C)nc2n1CCC2	EMOLS-id_319361807	334.413	PNWHHLXRJHFDLV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087863
COC(=O)c1c(NC(=O)N2CC[C@H](C[C@H](C2)C)C)nc2n1CCC2	EMOLS-id_319659135	334.413	ARKOMEBEAMHYGV-VXGBXAGGSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087864
COC(=O)c1c(NC(=O)NC2CCCCC2(C)C)nc2n1CCC2	EMOLS-id_319228777	334.413	LHTPDAPABZVQLO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087865
COC(=O)c1c(NC(=O)NC2CCCC(C2)(C)C)nc2n1CCC2	EMOLS-id_319365345	334.413	JYKINXUXFOOPHQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087866
COC(=O)c1c(NC(=O)N(C2CCCC(C2)C)C)nc2n1CCC2	EMOLS-id_319510585	334.413	JJHYKGDBTILQDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087867
COC(=O)c1c(NC(=O)NC2CCC(CC2)(C)C)nc2n1CCC2	EMOLS-id_319644665	334.413	ONDNDSOGSJFUML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087868
COC(=O)c1c(NC(=O)NC2(C)CCC(CC2)C)nc2n1CCC2	EMOLS-id_318965072	334.413	XUHMHVHNAIXFGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087869
COC(=O)c1c(NC(=O)NC2CCCC(CC2)C)nc2n1CCC2	EMOLS-id_319245237	334.413	APESAFDJBALZRR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087870
COC(=O)c1c(NC(=O)NC2CC(C)CC(C2)C)nc2n1CCC2	EMOLS-id_319423948	334.413	VOEFHDCWJSJPIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087871
COC(=O)c1c(NC(=O)N(CC2CCCCC2)C)nc2n1CCC2	EMOLS-id_319321146	334.413	NWTFVFACORFZKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087872
O=C(C1CCCN(C1)C(=O)Nc1nn2c(c1)CCC2)OC(C)(C)C	EMOLS-id_324053100,PC-id_146103706,MCULE-2335396824	334.413	QRXREIBQVYSNQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087873
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)(O)CN1CCCCC1	MCULE-6989630190,EMOLS-id_319914209	334.413	PKEWYDMFEFUYSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087874
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)(O)CN1CCOCC1	EMOLS-id_110707452	334.413	XVSBMHIWBKZZAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087875
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@](O)(CN2CCCC2)C1	PC-id_96407481,ZINC22_77536162	334.413	GOKNRXXSYMEZQE-KRWDZBQOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087876
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@](O)(CN2CCCC2)C1	ZINC22_77536165,PC-id_96407482	334.413	GOKNRXXSYMEZQE-QGZVFWFLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-087877
O=C(C(C)(C)C)N1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99604864	334.413	ZYUSHAPATZWBNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087878
O=C([C@@H]1CC[C@@H](O1)CN1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319548803	334.413	XBODXMSOBGIEMK-CABCVRRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-087879
O=C([C@@H]1CC[C@@H](O1)CN1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319910951,MCULE-2145354196	334.413	CWMAURNTSIOODH-WBMJQRKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-087880
O=C(N1CCCC1CCC(=O)N1CCn2c1ncc2)OC(C)(C)C	MCULE-9048020598,EMOLS-id_177344751	334.413	QJYHQKDFJRLKGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087881
O=C(N1CCC(CC1)CC(=O)N1CCn2c1ncc2)OC(C)(C)C	EMOLS-id_279043915	334.413	AFYHJZDPTNIEMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087882
O=C(N1CCC(CC1)CN1Cc2n(C1=O)c(nc2)C)OC(C)(C)C	PC-id_23138425,SCHEMBL3449027	334.413	VAEANXFLOMQAFF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087883
s1c2CCCc2cc1C(=O)NN=C(c1sc(cc1)C(=O)O)C	PC-id_84845819	334.413	IEJHBMABPRTQNC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087884
s1c2CCCc2cc1C(=O)N/N=C(c1sc(cc1)C(=O)O)/C	PC-id_8826628	334.413	IEJHBMABPRTQNC-PXNMLYILSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087885
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1occc1)C)C(=O)N	PC-id_84871239	334.413	SXFMMSLDDQXXFK-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-087886
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1occc1)C)C(=O)N	PC-id_8919086	334.413	SXFMMSLDDQXXFK-VIFPVBQESA-O	00000010101000000000000010000000000000000000000000000000	25-01-087887
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1occc1)C)C(=O)N	PC-id_8919090	334.413	SXFMMSLDDQXXFK-SECBINFHSA-O	00000010101000000000000010000000000000000000000000000000	25-01-087888
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1occc1)C)C(=O)N	PC-id_9334354	334.413	JUQLBDUMIDUNQX-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-087889
CC1CC(c2n1ncn2)NCc1cccc(c1)COc1ccccc1	EMOLS-id_279075891	334.415	JHHMOOUEAHHTSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087890
Cc1ccc(n2c(C)ccc2C)c(C(=O)N2Cc3cnn(C)c3C2)c1	ZINC22_857880564	334.415	JRUSGAAJTRXHPX-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-087891
Cn1ccnc1CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3876938795,EMOLS-id_328209279	334.415	JSIDUIMESBRIOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087892
Cn1ncc2c1CN(C2)S(=O)(=O)CC1CCS(=O)(=O)N1C	MCULE-4744909816,EMOLS-id_320196031	334.415	LLTDGLVCXUQORQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087893
CS(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100177946	334.415	JYLHAUFMEBNRQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087894
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCc1c[nH]cn1	MCULE-8072245412,EMOLS-id_328216179	334.415	APYJFESQJVLSGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087895
N#Cc1ccc(cc1)C1(CCCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318826853	334.415	JJQGBQZQBIFQFV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087896
O=S(=O)(NCCN1CCCS1(=O)=O)c1cnc2n1CCC2	EMOLS-id_100188582,MCULE-5503105681,ZINC22_330028800	334.415	PEVNTCMMILFBGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087897
c1(NC(=O)CSc2ncccn2)sc2c(CCC2)c1C(=O)N	MCULE-9502212627,PC-id_5158613,EMOLS-id_261430555,ZINC22_2484133	334.417	SHOLGJXGOWMEPU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087898
c1(NC(=S)Nc2cnccn2)sc2c(CCC2)c1C(=O)OC	TIMTEC509625,PC-id_970526,EMOLS-id_2317653,ZINC22_609996,CoCoCo_994583,Chemmine_18543,MCULE-6226747176	334.417	VSFPEJHHVYGYDX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-087899
CCCCNC(=O)Nn1nc(c2c1C(C)(C)NC2)NC(=O)C1CC1	SCHEMBL2922592,PC-id_68442051	334.417	HXUUYPRVJLRXPQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-087900
CCNC(=NCc1nnc2n1CCC2)N1CC(C(C1)C)C(=O)OC	PC-id_109634660	334.417	RRLYAQYJMLUNOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087901
CCNC(=NCc1nnc2n1CCC2)N1CCC(CC1)C(=O)OC	PC-id_111252787	334.417	JSSRFTJKEUCKQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087902
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)CCN1CCCCC1	PC-id_68438654,SCHEMBL2913265	334.417	QUUYTJKRSMJVOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087903
CCOC(=O)C1CCCN(C1)C(=NC)NCc1nnc2n1CCC2	PC-id_110994899	334.417	ONIFRLHAIVMXOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087904
CCOC(=O)C1CCN(CC1)C(=NC)NCc1nnc2n1CCC2	PC-id_111154838	334.417	OXIMUMIHNDUHPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087905
CCOC(=O)[C@@H]1CCCN(C1)C(=NC)NCc1nnc2n1CCC2	PC-id_120067307	334.417	ONIFRLHAIVMXOW-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087906
O=C(N1CCCC1CN1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_303349517	334.417	FCOJASUVQNXDIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087907
O=C(N1CCC[C@H]1CN1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_99350086	334.417	FCOJASUVQNXDIP-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087908
c1(NC(=O)CSc2nnc(C)n2N)sc2c(CCC2)c1C#N	GD-id_ZINC20842383,MCULE-1370475748,EMOLS-id_335777174	334.42	OPDXDNUBEJAWJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087909
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)CC)C#N	PC-id_24523313	334.42	VTXYTJAXMVGQJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087910
s1c2CCCc2cc1C(=O)OCc1ccc(c2ccccc2)cc1	PC-id_7238987	334.431	MSUUKVMIKWMJCK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-087911
s1c2CCCc2cc1C(=O)OC(c1ccccc1)c1ccccc1	PC-id_7238789	334.431	HCGTVUCBTBBPFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087912
CCCCc1nn2c(c1S(=O)(=O)c1ccc(cc1)CO)CCC2	CT-id_4023774,PC-id_102597124,4023774_OpenMolecule	334.433	SAUYBEVLWLQUNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087913
CNC(=O)/C=C/1CSc2n1cc(c2C(=O)OC1CCCCC1)C	SCHEMBL9039089,PC-id_19903321	334.433	QJQMJMCWZCBYMU-XYOKQWHBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087914
COc1cc(OC)cc(c1)C(CNCc1sc2c(n1)CCC2)O	PC-id_109948611	334.433	AHGCZPUYSGRZKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087915
C(=O)(Nc1sc2CCCc2c1C#N)CCCCCCCC(=O)O	EMOLS-id_328086565,MCULE-4269539124	334.433	ASVMVZOMHJVBQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087916
OC[C@]12C[C@H]1CCCN2C(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319920810,MCULE-9722695528	334.433	KDKHCWXOGLFDJO-SJKOYZFVSA-N	00100010100010000000010010000000000000000000000000000000	25-01-087917
OC(c1ccco1)CC1COCCN1Cc1sc2c(n1)CCC2	PC-id_109975462	334.433	KCARGXXGEAFEQS-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-087918
O=C(C1CCCOC1)Nc1sc2c(c1C(=O)NC1CC1)CCC2	EMOLS-id_48998184,MCULE-3212676654,PC-id_72024203	334.433	HPJXTUVAWIDJLB-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-087919
O=C(C1CC(=O)c2c1cco2)N1CCSCC1CN1CCCC1	SCHEMBL8900952,PC-id_18914977	334.433	GUPHWLFUEJIYGZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087920
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)C(=O)C1CCCO1	PC-id_86977042	334.433	TYCBWOAGCNNCNM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087921
O=C(C[C@@H]1CCCO1)Nc1sc2c(c1C(=O)NC1CC1)CCC2	PC-id_97085907,ZINC22_89893900	334.433	JBQAPHNNCDGVAD-NSHDSACASA-N	00100010100000000000000010000000000000000000000000000000	25-01-087922
O=C(C[C@H]1CCCO1)Nc1sc2c(c1C(=O)NC1CC1)CCC2	ZINC22_65066439,PC-id_95089204	334.433	JBQAPHNNCDGVAD-LLVKDONJSA-N	00100010100000000000000010000000000000000000000000000000	25-01-087923
OCCOc1ccc(cc1OC)CNCc1sc2c(n1)CCC2	PC-id_109948528	334.433	XQDKFWCMUWODEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087924
O=C(N1CCSCC1(C)N1CCCC1)C1CC(=O)c2c1cco2	PC-id_139652272	334.433	YXEPPAFQJLSAEH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-087925
O=C(NC1CC1)c1c(NC(=O)C2CCOCC2)sc2c1CCC2	MCULE-3679942226,PC-id_72025838,EMOLS-id_48991948,ZINC22_65067431	334.433	JNRULTGRQJVAEY-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-087926
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CCCOC2)sc2c1CCC2	PC-id_97557750,ZINC22_96403698	334.433	HPJXTUVAWIDJLB-SNVBAGLBSA-N	00100010100010000000000010000000000000000000000000000000	25-01-087927
O=C(NC1CC1)c1c(NC(=O)[C@H]2CCCOC2)sc2c1CCC2	ZINC22_96403699,PC-id_97557751	334.433	HPJXTUVAWIDJLB-JTQLQIEISA-N	00100010100010000000000010000000000000000000000000000000	25-01-087928
O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)CC1CCCO1	PC-id_71934996,MCULE-1709124057,EMOLS-id_45644597	334.433	JBQAPHNNCDGVAD-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-087929
O=C(N[C@@H]1C[C@H]2[C@@H]1CCCO2)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319170720	334.433	HUZRCWVVDFHBGQ-UPJWGTAASA-N	00001010100010000000001010000000000000000000000000000000	25-01-087930
s1c2CCCc2cc1C(=O)OC(C(=O)NC(C(C)C)(C)C#N)C	PC-id_45637959	334.433	VPSJORRHLAOESI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087931
S1c2n(C(=C(C)C(=O)N)C1)cc(c2C(=O)OC1CCCCC1)C	PC-id_57248621	334.433	CYMFSMNYWASACB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087932
S1c2n(C(=CC(=O)NC)C1)cc(c2C(=O)OC1CCCCC1)C	PC-id_67755715	334.433	QJQMJMCWZCBYMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087933
c1(snc2CCCc12)NC(=O)C(c1ccccc1)c1ccccc1	MCULE-1054005125,PC-id_54774480	334.435	BBBXPMKKLGQTJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087934
O=C(Cc1ccc(c2ccccc2)cc1)Nc1nc2c(s1)CCC2	PC-id_16357389,MCULE-7194060182,ZINC22_12567657,EMOLS-id_11801850,CoCoCo_4164024	334.435	PUKJWOUVUYJFMA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087935
O=C(C(c1ccccc1)c1ccccc1)Nc1sc2c(CCC2)n1	MCULE-5653508081,EMOLS-id_43423392,PC-id_9318179,ZINC22_8184607,CoCoCo_4164063	334.435	PQTRFZFRYBIZOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087936
s1c2CCCc2cc1C(=O)NC(c1ccccc1)c1ncccc1	PC-id_78779407	334.435	OFLNRTLYDNQBFB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-087937
s1c(Nc2ccccc2)c2CCN(c2c1C(=O)c1ccccc1)C	PC-id_44512770	334.435	ZIHDHRPCRSTRHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087938
CC1(C)CCc2sc(NC(=O)N3CC(=O)N(CC4CC4)C3)nc12	ZINC22_333600773,EMOLS-id_102008802,MCULE-5007495123	334.436	WKHXUFLQEMUMIG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-087939
Cc1ccc(CN(CCO)C(=O)NCc2n[nH]c3c2CCC3)s1	PC-id_121504786,EMOLS-id_177440856,ZINC22_426530504,MCULE-4787049782	334.436	RRHNRMZUESAILX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087940
Cc1cccc(S(=O)(=O)N2Cc3c(CN(C)C)nn(C)c3C2)c1	ZINC22_96084459,EMOLS-id_46181925,PC-id_97405285	334.436	BNNWXRPOSFAHDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087941
Cc1ccc(S(=O)(=O)N2Cc3c(CN(C)C)nn(C)c3C2)cc1	ZINC22_96259084,EMOLS-id_44369718,PC-id_97519174	334.436	FCJWJUIPJOUIBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087942
CC(c1ccccc1)CS(=O)(=O)NC(c1nnc2n1CCC2)C	PC-id_71968202,EMOLS-id_49116588,MCULE-9869076405	334.436	KTQKPWAMGLXAIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087943
C[C@H](CS(=O)(=O)N[C@H](C)c1nnc2n1CCC2)c1ccccc1	PC-id_97604879,ZINC22_96482429	334.436	KTQKPWAMGLXAIY-CHWSQXEVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087944
C[C@H](CS(=O)(=O)N[C@@H](C)c1nnc2n1CCC2)c1ccccc1	ZINC22_96482427,PC-id_97604877	334.436	KTQKPWAMGLXAIY-OLZOCXBDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087945
C[C@@H](CS(=O)(=O)N[C@H](C)c1nnc2n1CCC2)c1ccccc1	ZINC22_96482428,PC-id_97604878	334.436	KTQKPWAMGLXAIY-QWHCGFSZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087946
C[C@H](NS(=O)(=O)C[C@H](C)c1ccccc1)c1nnc2n1CCC2	ZINC22_96482426,PC-id_97604876	334.436	KTQKPWAMGLXAIY-STQMWFEESA-N	00000010100000110001000010000000000000000000000000000000	25-01-087947
CC(N(C)CC(=O)N(C)C)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_337899818	334.436	DQOUJAVAUAMTRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087948
CN(c1cc(ccc1C)S(=O)(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320027061,MCULE-1048404085	334.436	JVELHDCUWDDECJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087949
CN(CCC(=O)Nc1sc2CCCc2c1C#N)CC(=O)N(C)C	EMOLS-id_337899566,PC-id_52370870	334.436	QWABJDFUSCYRKS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087950
NCCN(S(=O)(=O)c1cnc2n1CCC2)CCc1ccccc1	PC-id_120877136	334.436	SYROUGLPLNEXRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087951
O=C(N1CCN(C(=O)C1)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003699	334.436	OMUITFPXDJOCBQ-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-087952
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CC(=O)N(C1)C1CC1	EMOLS-id_102003696	334.436	RLVUOFDJNBFBAA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-087953
s1c2CCCc2c(c1NC(=O)CCN(C(C)C)CC(=O)N)C#N	PC-id_55483060	334.436	BKOQOQWCNITKJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087954
s1c2CCCc2c(c1NC(=O)CN(CC(=O)NC(C)C)C)C#N	PC-id_9049359	334.436	XMRXACUCKAHHJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-087955
Cc1ncc(CNC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)s1	PC-id_96484654,ZINC22_78663642	334.44	FQWBMMJOBATKJJ-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087956
Cc1ncc(CNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)s1	ZINC22_78663646,PC-id_96484655	334.44	FQWBMMJOBATKJJ-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087957
CCCc1nc(NC(=O)NCc2nnc3n2CCC3)sc1CC	EMOLS-id_43391800,PC-id_72117318,MCULE-4206552263,ZINC22_76082102	334.44	RXYIWYSZRCXAQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087958
CC(Cc1nc(sc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C)C	EMOLS-id_319251919	334.44	YLKLEOBCWSIUFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087959
O=C(NC(c1nnc2n1CCC2)C(C)C)NCc1cnc(s1)C	MCULE-6582618846,EMOLS-id_49005348,PC-id_72020817	334.44	FQWBMMJOBATKJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087960
CN=C(NCc1nnc2n1CCC2)NCc1nnc(s1)C(C)C	PC-id_120059049	334.443	VSVBLKGUIPUHMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087961
C/C=C(C1=C(C)c2n(C1CCC1(F)CCC(CC1)(C)C)cnc2)/F	SCHEMBL21182784,PC-id_139334369	334.447	XNLKLXPVNZROBB-PJQLUOCWSA-N	00000011100010000001000010000000000000000000000000000000	25-01-087962
CCc1sc2c(c1C(=O)c1cccs1)CCC2CCC(=O)O	PC-id_20213652,SCHEMBL10747927	334.453	MNDFKMNUTNJNOA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087963
CC(Cc1sc2c(c1C(=O)c1cccs1)CCC2C(=O)O)C	SCHEMBL10745721,PC-id_13588829	334.453	HLJQJCLFSKQKSA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087964
CCCCCCCCCC(=O)N1[C@@H](C(C)C)c2c(C1=O)c(on2)C	PC-id_102228461	334.453	FIBLFJCGEYKNGR-SFHVURJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087965
COC(=O)C1(SCc2ccc(cc2)OC)Cc2c(C1)csc2	SCHEMBL7828521,PC-id_15814415	334.453	GIQPYGDZNOLEPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-087966
OC(=O)CCC1CCc2c1sc(c2C(=O)c1ccc(s1)C)C	SCHEMBL10740733,PC-id_54442217	334.453	WOXVMKJPBZBXBH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087967
c12CN(Cc1nn(CC1CCCC1)c2CNC)C(=O)OC(C)(C)C	EMOLS-id_324351331,MCULE-5840243855	334.456	BZMRWGGZSKUVIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087968
C1(=O)C(CCCN1CC(C)(C)C)(CNCc1c2CCCc2[nH]n1)O	EMOLS-id_24866405,PC-id_45243474,MCULE-5592302442	334.456	RXNQOCSOWPPRPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087969
CC1CCC(C(C1)OCC(=O)NCc1nnc2n1CCC2)C(C)C	MCULE-2309346868,PC-id_45807606,EMOLS-id_31882533	334.456	QSMSWUIUBXTSFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087970
CCc1cc(sc1C)C(=O)NNC(=O)c1cc2c(s1)CCC2	CoCoCo_3440011,EMOLS-id_13569564,PC-id_17479567,MCULE-2867261557	334.456	BONIFHCXZKSHTH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087971
CC(C)(C)CN1CCC[C@](O)(CNCc2n[nH]c3c2CCC3)C1=O	CoCoCo_1588537,PC-id_42453829,ZINC22_12193068,CoCoCo_1588539	334.456	RXNQOCSOWPPRPR-SFHVURJKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087972
CC(C)(C)CN1CCC[C@@](O)(CNCc2n[nH]c3c2CCC3)C1=O	CoCoCo_1588538,PC-id_42453822,ZINC22_12193060,CoCoCo_1588536	334.456	RXNQOCSOWPPRPR-GOSISDBHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087973
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1nnc2n1CCC2	PC-id_100835838,CoCoCo_4703316,ZINC22_229116200	334.456	QSMSWUIUBXTSFH-KFWWJZLASA-N	00000010100010000001000010000000000000000000000000000000	25-01-087974
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1nnc2n1CCC2	ZINC22_229116192,CoCoCo_4703313,PC-id_100835837	334.456	QSMSWUIUBXTSFH-ILXRZTDVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087975
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1nnc2n1CCC2	ZINC22_40494209,PC-id_93609759,CoCoCo_4703317	334.456	QSMSWUIUBXTSFH-RBSFLKMASA-N	00000010100010000001000010000000000000000000000000000000	25-01-087976
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1nnc2n1CCC2	ZINC22_40494213,CoCoCo_4703314,PC-id_93609761	334.456	QSMSWUIUBXTSFH-QLFBSQMISA-N	00000010100010000001000010000000000000000000000000000000	25-01-087977
CCC(C(=O)NCCc1nnc2n1CCC2)OC1CCCC(C1)C	EMOLS-id_49057634,PC-id_71995138,MCULE-6223936422	334.456	BSEVPOUNXUFQEF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087978
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCCc1nnc2n1CCC2	PC-id_97576389,ZINC22_96430640	334.456	BSEVPOUNXUFQEF-KKUMJFAQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087979
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCCc1nnc2n1CCC2	ZINC22_195531046,PC-id_99846999	334.456	BSEVPOUNXUFQEF-KFWWJZLASA-N	00000010100010000001000010000000000000000000000000000000	25-01-087980
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCCc1nnc2n1CCC2	ZINC22_195531048,PC-id_99847001	334.456	BSEVPOUNXUFQEF-ILXRZTDVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087981
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCCc1nnc2n1CCC2	ZINC22_96430638,PC-id_97576387	334.456	BSEVPOUNXUFQEF-ZNMIVQPWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087982
C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)NCc1nnc2n1CCC2)C(C)C	CoCoCo_4703310	334.456	QSMSWUIUBXTSFH-ZNMIVQPWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087983
C[C@H]1CC[C@H]([C@H](C1)OCC(=O)NCc1nnc2n1CCC2)C(C)C	CoCoCo_4703311	334.456	QSMSWUIUBXTSFH-KKUMJFAQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087984
C[C@H]1CC[C@H]([C@@H](C1)OCC(=O)NCc1nnc2n1CCC2)C(C)C	CoCoCo_4703312	334.456	QSMSWUIUBXTSFH-SOUVJXGZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087985
C[C@H]1CC[C@@H]([C@@H](C1)OCC(=O)NCc1nnc2n1CCC2)C(C)C	CoCoCo_4703315	334.456	QSMSWUIUBXTSFH-RRFJBIMHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087986
CC(=O)c1cc(CC(=O)NCCc2nc3CCCc3s2)cs1	MCULE-9729987090,PC-id_118784037,EMOLS-id_68918322,ZINC22_299775843	334.456	LELGXMYGZYNFCX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-087987
CO[C@@H]1Cn2c(C1)cc(n2)C(=O)NCCCN(C1CCCCC1)C	MCULE-1855253126,EMOLS-id_316338014	334.456	YDVVYHBRTHCLSQ-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-087988
COC(=O)NCCCn1nc(c2c1C(C)(C)CC2)[C@H](NC1CC1)C	PC-id_118313479,SCHEMBL17013345	334.456	SLRBCYNLUQSKRU-GFCCVEGCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-087989
N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C2)C)sc2c1CCC2	PC-id_6929641,GD-id_ZINC00142975	334.456	PHBFAWDJEMWJQK-VXGBXAGGSA-O	00000010100010000001000010000000000000000000000000000000	25-01-087990
O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1[C@H](O)c1nccs1	ZINC22_72324129,MCULE-2875842890,PC-id_95791745,AAM-12250172	334.456	ZVRWWUCXJSYDGD-FZMZJTMJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-087991
O=S1(=O)CCCN1c1ccc(cc1)NC1CCc2c1scc2	MCULE-5728345488,EMOLS-id_318768650	334.456	KQXAKDLXTCQOSQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-087992
s1c2CCCc2cc1C(=O)NNC(=O)CCCc1sccc1	PC-id_27684194	334.456	XHAFSLUFOHCVTP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-087993
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@@H](O[C@@H](C1)C)C)C#N	PC-id_6929640	334.456	PHBFAWDJEMWJQK-TXEJJXNPSA-O	00000010100010000001000010000000000000000000000000000000	25-01-087994
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@@H](O[C@H](C1)C)C)C#N	PC-id_6929642	334.456	PHBFAWDJEMWJQK-RYUDHWBXSA-O	00000010100010000001000010000000000000000000000000000000	25-01-087995
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CC(OC(C1)C)C)C#N	PC-id_3609323	334.456	PHBFAWDJEMWJQK-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-087996
s1c2CCCc2nc1NC(=O)CSc1ccc(OCC)cc1	PC-id_33040024	334.456	VZJPYNKHNCCBSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087997
S1Cc2c(noc2NC(=O)Cc2ccc(SC(C)C)cc2)C1	PC-id_49719000	334.456	ZTEPHLSJNPNFDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-087998
s1c(C(=O)N2CC[NH+](CC2)CC(=O)NC2CC2)cc2c1CCC2	PC-id_41324585	334.456	RHKHDSJMYMECMM-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-087999
c12SCCn1cc(CNC(=O)c1ccc(C3CCCN3)s1)n2	PC-id_45205757,EMOLS-id_23816949,MCULE-1831751130	334.46	RADIRPQETVJMCI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-088000
CCN1CCC(CC1)NC(=O)NC(c1nnc2n1CCC2)C(C)C	EMOLS-id_36704612,MCULE-9845659833,PC-id_53619399	334.46	PKLPJBCNTUYCDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088001
CCN1CCC(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)CC1	ZINC22_69949023,PC-id_95344495	334.46	PKLPJBCNTUYCDH-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088002
CCN1CCC(NC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)CC1	ZINC22_69949026,PC-id_95344496	334.46	PKLPJBCNTUYCDH-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088003
CCNC(=NCc1nnc2n1CCC2)N(CCC1CCOCC1)C	PC-id_109718683	334.46	VXIVGHCJJSLPCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088004
CN1CCC(CC1)C(N(C(=O)NC(c1nnc2n1CCC2)C)C)C	EMOLS-id_99518930	334.46	MGTFKNKKYVFDNS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088005
CN=C(N1CCC(CC1)OC(C)(C)C)NCc1nnc2n1CCC2	PC-id_120064605	334.46	ZNECTYOUQYLYKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088006
CN=C(NCc1nnc2n1CCC2)NCCCOC1CCCCC1	PC-id_111020519	334.46	RLUBXFXERWNDFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088007
CN=C(NCc1nnc2n1CCC2)NCCOC1CCCCCC1	PC-id_111575331	334.46	WYPHRSBHXOMWEM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088008
COCCC1(CCC1)CNC(=NCc1nnc2n1CCC2)NCC	PC-id_109792896	334.46	ZIRLSBGMHKZUOY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-088009
COCCC1(CCCC1)CNC(=NC)NCc1nnc2n1CCC2	PC-id_109778828	334.46	XULWEHHAPJKBIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088010
O=C(NC1CC(n2c1ncn2)C)CCCN1CCN(CC1)C(C)C	EMOLS-id_278965467	334.46	BJPXNDFNYXSKGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088011
O=C(NCc1cn2c(n1)SCC2)c1ccc([C@@H]2CCCN2)s1	ZINC22_20997071,CoCoCo_1349130	334.46	RADIRPQETVJMCI-NSHDSACASA-N	00000010100100000001100010000000000000000000000000000000	25-01-088012
O=C(NCc1cn2c(n1)SCC2)c1ccc([C@H]2CCCN2)s1	ZINC22_20997073,CoCoCo_1349131	334.46	RADIRPQETVJMCI-LLVKDONJSA-N	00000010100100000001100010000000000000000000000000000000	25-01-088013
O=C(NCC1(N(C)C)CCCCCC1)NCc1n2CCCc2nn1	PC-id_45827055	334.46	UQWFBLNEZZVIEV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088014
O=C(NC(c1nnc2n1CCC2)C)NC1CCN(CC1)C(C)(C)C	EMOLS-id_110758385	334.46	YPHFOIINUVXDKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088015
O=C(N(Cc1nnc2n1CCC2)C)NCC(N1CCCCC1C)C	EMOLS-id_35720022,MCULE-5490516085,PC-id_53500637	334.46	GHXLZUJHGMEKAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088016
CCCCCCCC(c1c(c2c(s1)CS(=O)C2)F)OOC	PC-id_89105887,SCHEMBL13515607	334.47	PPHZQFRRRWHPJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088017
c1(cc2c(CCC2)s1)C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O	MCULE-7460819061,EMOLS-id_48392619,ZINC22_257277737,BDE-33873033,PC-id_110127423	334.476	NZDUDPBHADHCCM-CKEIUWERSA-N	00000010100000000000100010000000000000000000000000000000	25-01-088018
c1(NC(=O)C2CCC(CC2)CCC)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/NB27029,EMOLS-id_43028180,PC-id_71677309,SPECS-id_AP-970/43482148,ZINC22_72260318,MCULE-7779561918	334.476	GWAHVQYMISAHNR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088019
NC1CCCOC1C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102095864	334.476	WCVUHVFBWAEIJZ-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-088020
NC1CCOC(C1)C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_102106115	334.476	ZRWVJVLMCZQEKR-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-088021
O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1CN1CCOCC1	ZINC22_89765012,PC-id_97076463	334.476	NBMQWIBYGHPLIJ-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088022
O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1CN1CCOCC1	ZINC22_89765014,PC-id_97076464	334.476	NBMQWIBYGHPLIJ-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088023
O=C(C1CCC(=O)C(C1(C)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102164164	334.476	XXELHWHUQLEABE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088024
O=C(c1sc2c(c1)CCC2)N1CCCN(CC1)CC1CCCO1	MCULE-4870017984,PC-id_45811783,EMOLS-id_31897966	334.476	HNIOMDIMJAKAFG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088025
O=C(c1sc2c(c1)CCC2)N1CCCN(CC1)C[C@@H]1CCCO1	PC-id_94021702	334.476	HNIOMDIMJAKAFG-HNNXBMFYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088026
O=C(c1sc2c(c1)CCC2)N1CCCN(CC1)C[C@H]1CCCO1	PC-id_94021704	334.476	HNIOMDIMJAKAFG-OAHLLOKOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088027
O=C(N1CCCCC1CN1CCOCC1)c1sc2c(c1)CCC2	EMOLS-id_45760420,MCULE-8609323249,PC-id_71876654	334.476	NBMQWIBYGHPLIJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088028
s1c2CCCc2cc1C(=O)NNC(=O)CCCC1CCCCC1	PC-id_24634817	334.476	JLWQUPUYIXXFFK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088029
CCCC1(C)Sc2c(C1NC(=O)C)cc(s2)S(=O)(=O)N	PC-id_67899366,SCHEMBL9651753	334.478	TYGRVPNWMWNCRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088030
s1c2CCCc2c(c1NC(=O)CSCc1sccc1)C#N	PC-id_4339072	334.479	LQRXLSBEHYJDDO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088031
CN1CCC(=CC1)C(NC(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102005772	334.48	OONJAAAXAJIECM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-088032
O=C(C1CCCN1C1CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99881519	334.48	UNHJYUNDKQNHDD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088033
O=C(c1cnn2c1CCC2)NCC1(CCCC1)N1CCSCC1	EMOLS-id_101208324	334.48	YVYVIMZJHFPEMR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088034
O=C(c1nn2c(c1)CCC2)NCC1(CCCC1)N1CCSCC1	EMOLS-id_101208315	334.48	JDBVODUIXWLYFA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088035
O=C(CN1CC[C@@H](CN2CCCC2)C1)Nc1nc2c(s1)CCC2	ZINC22_150759072	334.48	KIGIKPVBBVMZKQ-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088036
O=C(CN1CC[C@H](CN2CCCC2)C1)Nc1nc2c(s1)CCC2	ZINC22_150759085	334.48	KIGIKPVBBVMZKQ-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088037
O=C(N1CC(C1)C1CCCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_101656531	334.48	XIYYQLCDSKKVRN-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-088038
O=C(N1CCC(C1)C1CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_102015685	334.48	WYOJXMQNIPXHHI-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088039
O=C(N1CCCC1C1CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99855047	334.48	IWPZOENTSHZHHD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088040
O=C(N1CCCC(C1)C1CCCNC1)Nc1sc2c(n1)CCC2	EMOLS-id_318114916	334.48	FPIINSVFKZUWCL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088041
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)C1CC1	EMOLS-id_102000021	334.48	WXEGCVDFWQPWAN-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-088042
O=C(Nc1sc2c(n1)CCC2)CN1CCC(C1)CN1CCCC1	PC-id_146132645	334.48	KIGIKPVBBVMZKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088043
OC(c1cccs1)CC1CCCN1Cc1sc2c(n1)CCC2	PC-id_109975408	334.499	PHAKBOURQTZIBN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-088044
Cc1csc(N2CCCN(Cc3nc4c(s3)CCC4)CC2)n1	MCULE-3906337982,PC-id_75515950,ZINC22_97033866,EMOLS-id_49338221	334.503	DUGYSUHHAPMMLO-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-088045
CCCCCCCCCCNC(=NC)NCc1nnc2n1CCC2	PC-id_109616256	334.503	FGITYEGDYMNBFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088046
CCCCCCCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111020489	334.503	LBYHDOSXSALPQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088047
CCCCCC(CNC(=NCc1nnc2n1CCC2)NCC)(C)C	PC-id_109583059	334.503	CUEAGPAWYWBXSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088048
C[C@H](NCc1csc(N(C)C2CC2)n1)c1nc2c(s1)CCC2	ZINC22_459636877	334.503	RNZCISDWQJLQSU-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-088049
C[C@@H](NCc1csc(N(C)C2CC2)n1)c1nc2c(s1)CCC2	ZINC22_459636878	334.503	RNZCISDWQJLQSU-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-088050
CCNC(=NCc1nnc2n1CCC2)NCCCCCCC(C)C	PC-id_111020253	334.503	CDAHAVJBJMGEPL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088051
CN(c1scc(n1)CNC(c1sc2c(n1)CCC2)C)C1CC1	EMOLS-id_316928117,MCULE-9786095823	334.503	RNZCISDWQJLQSU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-088052
CC1=C(C)SC(=CC=C2SC3=C(S2)SCS3)S1	PC-id_101576949	334.587	ILGWFGMTUNLCMA-UHFFFAOYSA-N	00000011000000000001000010000000000000000000000000000000	25-01-088053
Clc1sc2c(c1)C(CC2)Nc1cc(Cl)c(c(c1)Cl)O	PC-id_107679069	334.649	DCWGLPRZQLFZRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088054
Clc1ccc(CNC(=O)Nc2n[nH]c3c2CN(C3)C(=O)N)cc1	PC-id_68443225,SCHEMBL2925389	334.761	FUZYISPMKLOSQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088055
Clc1ccc(c(c1)F)N1CCC(C1=O)NC1CCn2c1ncc2	EMOLS-id_318237910,MCULE-5835008223	334.776	INUUPJGYOOQEFA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088056
O=C1C(CCN1c1ccc(c(c1)Cl)F)NC1CCn2c1ncc2	EMOLS-id_318085885,MCULE-7178726159	334.776	GZIJLWJSYHGVOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088057
O=C1C(CCN1c1ccc(c(c1)F)Cl)NC1CCn2c1ncc2	EMOLS-id_318012309,MCULE-5168998764	334.776	NSVDGUGOBJPRSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088058
O=C1CC(CN1c1ccc(c(c1)F)Cl)NC1CCn2c1ncc2	EMOLS-id_318187937,MCULE-7615304554	334.776	AJMQCKREJHMQHP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088059
[B]CN1C(=O)c2c(sc(c2C1=O)Br)Br	PC-id_88931036	334.78	ZAUWHIAAJDONBG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088060
Clc1cc(OCC(=O)Nc2nc3SCCn3c2C#N)ccc1	PC-id_60323741	334.781	MVBZWOTUHSYKBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088061
Clc1c(OCC(=O)Nc2nc3SCCn3c2C#N)cccc1	PC-id_60323698	334.781	UDWWRIGZZOWUKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088062
N#Cc1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCC2	ZINC22_6580665,EMOLS-id_3501742,CoCoCo_3268207,PC-id_8001828,MCULE-6791955878	334.796	HODATNZQKLHQHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088063
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2Cl)OC)n1	MCULE-9459340573,EMOLS-id_330993397	334.797	BRYCWCJGKHQBQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088064
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2OC)Cl)n1	MCULE-8249506793,EMOLS-id_330992633	334.797	GILHYXVYBFUWML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088065
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)OC)n1	EMOLS-id_330993141,MCULE-1878473997	334.797	BNNYTIMUWNKOFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088066
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(OC)c2)Cl)n1	EMOLS-id_330992377,MCULE-8335943612	334.797	YIKBDPAHURRSQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088067
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1Cl)OC	EMOLS-id_330975153,MCULE-4552049794	334.797	VFSPYJCHDUMDNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088068
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1OC)Cl	MCULE-4841011328,EMOLS-id_330974389	334.797	IYQFIOWTQFBESA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088069
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)OC	EMOLS-id_330974897,MCULE-1796305031	334.797	DJAPFNMBRYUSMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088070
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)Cl	EMOLS-id_330974133,MCULE-4775838928	334.797	MBVBYKXUABETNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088071
CCCC1(C=CC=N1)C(=O)c1c(Cl)cc2n1CCC2C(=O)OC	PC-id_20528125,SCHEMBL11266154	334.797	FKUAVCVXMONPEJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-088072
CCCCC1(C=CC=N1)C(=O)c1c(Cl)cc2n1CCC2C(=O)O	SCHEMBL11267992,PC-id_20528148	334.797	UMKWIMFNWVVYHA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-088073
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)Cl)C	SCHEMBL10848708,PC-id_70455690	334.797	MBZIDPUNTYNQJL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-088074
c12CN(Cc1n(nc2)CCO)CCC(=O)Nc1ccccc1Cl	PC-id_91833297,EMOLS-id_55636180,ZINC22_244646928,MCULE-5904931476	334.801	GRVFCQGVURIYLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088075
Cc1cc(c(cc1Cl)OC)NC(=O)C(C)N1CCn2c1ncc2	EMOLS-id_316981406,PC-id_136563294,MCULE-9569481380	334.801	MJRDVZIEWCYGMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088076
Cc1ccc(Cl)c(OCC(=O)N(C)Cc2nnc3n2CCC3)c1	PC-id_71896156,EMOLS-id_45751164,ZINC22_89623646,MCULE-4248854127	334.801	AUVULMCZUINDGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088077
Clc1ccc(CC(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684454	334.82	QJXJMRFGLPEYJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088119
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_25650946,PC-id_40108035,CoCoCo_4474364,MCULE-3353571707,ZINC22_32873615	334.801	XPIRMKFOWYIPSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088078
C[C@H](NC(=O)CCOc1ccccc1Cl)c1nnc2n1CCC2	PC-id_94024435,ZINC22_44934561	334.801	GYKVEOJBEDJYBN-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-088079
C[C@@H](NC(=O)CCOc1ccccc1Cl)c1nnc2n1CCC2	PC-id_94024436,ZINC22_44934565	334.801	GYKVEOJBEDJYBN-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088080
C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1nnc2n1CCC2	PC-id_94024471,ZINC22_44934668	334.801	CRONFNVXRLEVAR-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-088081
C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1nnc2n1CCC2	PC-id_94024472,ZINC22_44934673	334.801	CRONFNVXRLEVAR-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088082
C[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1nnc2n1CCC2	PC-id_94025832,ZINC22_44939857	334.801	FMFRMFZUTVBYAM-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088083
C[C@H](NC(=O)CCOc1ccc(Cl)cc1)c1nnc2n1CCC2	ZINC22_44939853,PC-id_94025831	334.801	FMFRMFZUTVBYAM-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-088084
CC(Oc1ccc(c(n1)C(=O)NCc1cnc2n1CCC2)Cl)C	EMOLS-id_319430621	334.801	RFEJBEJOSOXNPK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088085
CC(Oc1ccc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)Cl)C	EMOLS-id_319819845	334.801	PZMAECJFINRNNJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088086
CC(Oc1ncc(cc1Cl)C(=O)NCc1cnc2n1CCC2)C	MCULE-7441243776,EMOLS-id_319969755	334.801	JQZYVSXWNPUEEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088087
Clc1ccc(OCCC(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_45823543,MCULE-2425365823,EMOLS-id_31957697	334.801	FMFRMFZUTVBYAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088088
Clc1cc(OCCC(=O)NC(c2n3CCCc3nn2)C)ccc1	MCULE-8108685144,EMOLS-id_31936212,PC-id_45819145	334.801	CRONFNVXRLEVAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088089
Clc1c(OCCC(=O)NC(c2n3CCCc3nn2)C)cccc1	MCULE-6077420572,PC-id_45819126,EMOLS-id_31936168	334.801	GYKVEOJBEDJYBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088090
Clc1ncc(CN2c3n(CC2)cc(C(C)(C)C)c3[N+](=O)[O-])cc1	PC-id_14675680	334.801	QNUXRMFVRQIONW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088091
COc1c(cc(cc1C(=O)N(C)C)Cl)NC1CCn2c1ncc2	MCULE-4086728928,EMOLS-id_318580047	334.801	HJIQXTMKSDKDMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088092
COc1ccc(cc1NCC(=O)NC1CC(n2c1ncc2)C)Cl	EMOLS-id_318295050	334.801	VOURZEHFXRBMBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088093
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCn2ccnc12	ZINC22_931522880	334.801	MJRDVZIEWCYGMH-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088094
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCn2ccnc12	ZINC22_931522883	334.801	MJRDVZIEWCYGMH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-088095
O=C(CCCOc1ccccc1Cl)NCc1nnc2n1CCC2	PC-id_49375064,EMOLS-id_36289660,MCULE-3133153030,ZINC22_50557742	334.801	YANXJWKXBTWSDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088096
Clc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)N(C)C	EMOLS-id_319122328	334.804	DFGGUTQCJUIPBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088097
Clc1cnn(c1)C1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422911	334.804	KEPHQXGKZNUTSJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088098
CN(C(=O)c1cnc(c(c1)Cl)NC(c1nnc2n1CCC2)C)C	MCULE-1135461864,EMOLS-id_318102553	334.804	YHUUOAOIRGLNEB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088099
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)Cl)N(C)C	EMOLS-id_319802534	334.804	SNGJBJFQVLMEKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088100
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)N(C)C)Cl	EMOLS-id_319271229	334.804	HKQHXQGUQHHOAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088101
CCc1sc2c(c1C(=O)c1ccc(cc1)Cl)CCC2C(=O)O	SCHEMBL10745743,PC-id_13588834	334.817	SNTFCDQTOPEERM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088102
Clc1ccc(C(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7238784	334.817	REKROEJBLOPRBR-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-088103
Clc1ccc(C(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7238785	334.817	REKROEJBLOPRBR-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088104
Clc1ccc(C(=O)C(OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_78464102	334.817	REKROEJBLOPRBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088105
Clc1cc(C(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_16572832	334.817	BOXDJYXFDHEBET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088106
Clc1ccc(c(c1)F)N1CCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318136952,MCULE-7191944570	334.819	FKNKKNFEDPTMAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088107
Clc1ccc(cc1F)N1CCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318305082,MCULE-3796642299	334.819	HYCAKKOGJWZOKL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088108
Clc1ccc(c(c1)F)N1CCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318029578,MCULE-7674062076	334.819	INVCQCSXBXDULN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088109
Clc1ccc(cc1F)N1CCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318170880,MCULE-8769062651	334.819	ZHXGYWOMFQKVND-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088110
Fc1ccc(cc1Cl)N1CCC(C1)NC1CC(n2c1ncc2)C	EMOLS-id_318119569,MCULE-4526823770	334.819	GHYPFDMYQBLPKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088111
Fc1ccc(cc1Cl)N1CCC(C1)NCc1cnc2n1CCC2	EMOLS-id_318215329,MCULE-7135024308	334.819	HVGXFISMFYIEDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088112
c1(NC(=O)c2ccc(cc2Cl)C)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/J107652,ZINC22_568712,CoCoCo_6396148,MCULE-5018829016,SPECS-id_AP-970/41728619,EMOLS-id_4015206,PC-id_959650	334.82	TVPBDXUEYGQTPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088113
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590240,EMOLS-id_16349075,PC-id_7474968,ZINC22_5055668,MCULE-2726289478	334.82	QLOVJRWXPWLFPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088114
c1(NC(=O)c2ccc(c(Cl)c2)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_1477868,PC-id_959648,CoCoCo_346278,ZINC22_568708,MCULE-9754692089,BAS-06189432	334.82	PZHLRSUNOPLIAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088115
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590242,PC-id_7474970,ZINC22_5055670,MCULE-6795004127,EMOLS-id_16349079	334.82	JMWSZOWXOSBQRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088116
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	ZINC22_76426,EMOLS-id_1477778,ChEMBL-DNDi_CHEMBL6668682,PC-id_698779,SPECS-id_AN-153/I169486,BAS-06184173,CoCoCo_346225,MCULE-8840435695,TIMTEC164013,SPECS-id_AF-399/13567109	334.82	GCSCFZPXLWCVML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088117
c1(NC(=O)CCC(=O)c2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-6839795758,EMOLS-id_181475930,PC-id_84558742	334.82	RQNBPEQVBLKPCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088118
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccccc1Cl	ChEMBL-DNDi_CHEMBL3261-0190,EMOLS-id_1280440,CoCoCo_138183,MCULE-5242380662,BAS-00832374,PC-id_722811,ZINC22_127224	334.821	BXMNXJVDBHPWPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088120
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccc(cc1)Cl	SCHEMBL8289815,PC-id_722857,EMOLS-id_6184272,MCULE-6450445637,CoCoCo_5997423,ZINC22_127326	334.821	WZUCXIMRNNNQNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088121
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1cccc(Cl)c1	ZINC22_5378282,PC-id_4539435,MCULE-5619761857,CoCoCo_5973007,EMOLS-id_8603923	334.821	ANWFOOGTTBXEDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088122
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)NC	MCULE-2253871247,PC-id_7474969,EMOLS-id_16349077,CoCoCo_2590241,ZINC22_5055669	334.821	KTVJQFANAZGDEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088123
C/C(=NNC(=O)c1cc2c(s1)CCC2)/c1c(ccc(c1)Cl)O	PC-id_135749621	334.821	RVLQWORSDAPZOO-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088124
ClC1=CC(=C(NNC(=O)c2sc3CCCc3c2)C)C(=O)C=C1	PC-id_9462700	334.821	LPVIYZCUDWYBAQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-088125
Clc1c(CC(=O)NNC(=O)c2sc3CCCc3c2)cccc1	PC-id_27684204	334.821	XYPGKUDIPRPZME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088126
Clc1cc(NC(=O)c2sc3CCCc3c2)ccc1NC(=O)C	PC-id_25953360	334.821	KQNWMRFKZWCJPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088127
c1(C)n(CC(=O)Nc2c(C#N)c3CCCc3s2)nc(C)c1Cl	MCULE-7308860860,ZINC22_4745649,PC-id_5301173,EMOLS-id_6826361	334.824	YEJPAQCGKGHVKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088128
CCC(C)Oc1ccc(CNCc2nnc3CCCn23)cc1Cl	MCULE-9461784427,EMOLS-id_31625253,PC-id_46998852	334.844	VXVFJPPSTPCRIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088129
CC[C@@H](C)Oc1ccc(CNCc2nnc3n2CCC3)cc1Cl	PC-id_52399927,ZINC22_55393678	334.844	VXVFJPPSTPCRIR-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088130
CC[C@H](C)Oc1ccc(CNCc2nnc3n2CCC3)cc1Cl	ZINC22_55393679,PC-id_52399929	334.844	VXVFJPPSTPCRIR-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088131
C1CC(C1)Oc1nccc(c1)CNC1CCc2c1cc(s2)Cl	EMOLS-id_49918824,PC-id_86782009,MCULE-7476667558	334.864	SGLNLKHZTJSSFT-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-088132
CC(N1Cc2c(C1)cc(s2)C(=O)NCc1ccccc1Cl)C	PC-id_53171045	334.864	BGFAHBCYHLPJFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088133
Clc1cc2c(s1)CC[C@H]2NCc1ccnc(OC2CCC2)c1	PC-id_97108536,ZINC22_90912189	334.864	SGLNLKHZTJSSFT-CQSZACIVSA-N	00001010100000101000000010000000000000000000000000000000	25-01-088134
Clc1cc2c(s1)CC[C@@H]2NCc1ccnc(OC2CCC2)c1	ZINC22_90912190,PC-id_97108537	334.864	SGLNLKHZTJSSFT-AWEZNQCLSA-N	00001010100000101000000010000000000000000000000000000000	25-01-088135
Clc1ccc(CNC(=O)c2sc3CN(Cc3c2)C(C)C)cc1	PC-id_53171026	334.864	HJRXTGFSZCGDME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088136
Clc1cc(CNC(=O)c2sc3CN(Cc3c2)C(C)C)ccc1	PC-id_53171073	334.864	UCZGVYBROAFATA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088137
Clc1ccc(s1)S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318478439	334.865	UUMFBWAPJIPDKR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-088138
Clc1ccsc1S(=O)(=O)NCc1sc2c(n1)CCC2	EMOLS-id_318761738	334.865	DZFJNOVWGFHTNW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-088139
Clc1sc(S(=O)(=O)NCc2sc3c(CCC3)c2)cn1	PC-id_61216025	334.865	HSIUHJMEKCSWLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088140
C1C2=CN(N=C2CN1)S(=O)(=O)C3=CN(N=C3)CCC(F)(F)F	PC-id_164872291	335.066	HZAIUOUBMYYYJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088142
CC1=CN(N=C1S(=O)(=O)N2C=C3CNCC3=N2)CC(F)(F)F	PC-id_164872165	335.066	XBXYOEPEBWUWRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088143
CCN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164872243	335.066	VSCWZFGBRWWSCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088144
CCN1C(=C(C=N1)S(=O)(=O)N2C=C3CNCC3=N2)C(F)(F)F	PC-id_164872129	335.066	LFYNGVNQWYJZMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088145
C1=CC=C(C=C1)C2=CNC=C2/C=C/C4=C(NC3=O)SC(=C4)C(=O)N	PC-id_153775829	335.073	YXKPXOHKIMUKGR-SDQBBNPISA-N	00000010110000110000100010000000000000000000000000000000	25-01-088146
C1CN2C(=CC(=N2)C(F)(F)F)N1CC3=CC(=CC=C3)C(F)(F)F	PC-id_150719847	335.086	JPQBAMBMVOIGMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088147
CC1=CC=C(C=C1)C(C2=NNC3=C2CN(C3)S(=O)(=O)N)C(=O)N	PC-id_153863863	335.105	VDKRXRAIXMYCLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088148
CC(C1=CC=CC=C1)(C2=NNC3=C2CN(C3)S(=O)(=O)N)C(=O)N	PC-id_153863862	335.105	CKCXZZLGOMEZBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088149
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)F)NC(=O)O	PC-id_150827820	335.108	KLHMUVAOAPIZGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088150
C1CC(CN(C1)CC2=NC3=C(S2)CCC3)COC4=NC=CS4	PC-id_165434930,MCULE-2201911876,EMOLS-id_337826039	335.113	LODMCNDHTGXPDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088151
CC1=CC(=C(C=C1OC)Cl)NC(=O)N2CC3=C(N(N=C3C2)C)N	PC-id_154769788,MCULE-8832397993,EMOLS-id_317365772	335.115	XNIAQLOXRHLNKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088152
CCOC1=C(C=C(C=N1)C(=O)NC(C)C2=NN=C3N2CCC3)Cl	PC-id_154800915	335.115	DSCJNAJNGUBGQT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088153
c12CN(Cc1nn(C(C)C)c2I)C(=O)OC	MCULE-2348667995,EMOLS-id_324341860	335.142	NFVZNDFAZCEGKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088154
C1CCC(C1)N2C=C(C=N2)S(=O)(=O)NCC3=CN=C4N3CCC4	EMOLS-id_317744582,PC-id_154785970,MCULE-8115674360	335.142	FFMUFLFJBPZDEW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088155
CC(C)(C)OC(=O)N1Cc2[nH]nc(I)c2C1	SCHEMBL5720840,MCULE-9819883619,EMOLS-id_50602782,ZINC22_38821423,PC-id_10427041,EMOLS-id_89936526	335.142	YTTAUUCKFOALEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088156
CC(C)(C)OC(=O)N1CCn2cnc(I)c12	EMOLS-id_324187812	335.142	IRYCDLVVPYQFNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088157
CC(C)(C)OC(=O)N1CCn2ncc(I)c12	EMOLS-id_323992977,MCULE-8419553200	335.142	YYMPDXCTAFGCSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088158
C1CC2=NN=C(N2C1)CNC(=O)C3=CC=CC(=C3)C4=CN=CC(=N4)N	PC-id_164697327,MCULE-3598608702	335.149	RBLPRUMDHLVOIS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088159
Brc1nc(n2CCC(c12)C(=O)O)C(=O)c1ccccc1	PC-id_15623002,SCHEMBL10429561	335.153	YSPWDSHGZOSUGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088160
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3(CC3)[Si](C)(C)C)C	PC-id_149817688	335.154	BQMXURVKCJDNKZ-UHFFFAOYSA-M	00100010100000000001000010000000000000000000000000000000	25-01-088161
N#Cc1nc2n(c1C)CC(O2)COc1ccc(cn1)Br	PC-id_140261629	335.156	ZVMGVCMFWDUCEN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088162
N#Cc1cc(Cl)c(c(c1)Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318940026	335.188	AOOCUHCVFMLYFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088163
N#CC(c1cccc(c1Cl)Cl)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_172298472,PC-id_122134746,MCULE-6648467034	335.188	SIGBZGMLADNCTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088164
N#C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1Cl	ZINC22_108818838	335.188	SIGBZGMLADNCTJ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088165
N#C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1Cl	ZINC22_108818841	335.188	SIGBZGMLADNCTJ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088166
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(Br)c2)n1	EMOLS-id_330988528,MCULE-8509742723	335.196	XNWCCWWFDWYQNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088167
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2Br)n1	EMOLS-id_330986225,MCULE-2540971158	335.196	PBODGZLRDKKQFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088168
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)Br)n1	EMOLS-id_330987248,MCULE-9172378305	335.196	HWYLPOUXBHJLTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088169
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(Br)c1	MCULE-4002687063,EMOLS-id_330967484	335.196	SGEGEQWMDWVUEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088170
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1Br	MCULE-2502937699,EMOLS-id_330965181	335.196	ZXQCSKCPHXCTEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088171
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)Br	MCULE-8239465269,EMOLS-id_330966204	335.196	VGXSNHLQVYEYHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088172
c1csc2c1C(=O)N(C2=O)CC(C(C(F)(F)F)(F)F)(F)F	SCHEMBL20434479,PC-id_135271189	335.198	YSKMWKMMNVVOLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088173
Brc1ccc(cc1)CN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_319830444,MCULE-6789213202	335.199	MPAWZKJHYLILOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088174
Brc1cccc(c1)C(=O)NC(c1nnc2n1CCC2)C	MCULE-7981083280,EMOLS-id_35706320,PC-id_53504408	335.199	DQGKQCVMZBWART-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088175
Brc1ccc(c(c1)N)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319585487	335.199	FPXFPNFOSZRZHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088176
Brc1ccc(c(c1)N)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317935285	335.199	NKTCLFNRWRWLPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088177
Brc1ccc(c(c1)N)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319862029	335.199	SUZMPKNHNSPJSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088178
Brc1ccc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_60763811	335.199	DJLJYXZZFDNCDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088179
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_51889415	335.199	ZKBHKEMEKLXXQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088180
Brc1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1	PC-id_51889414	335.199	INSQUQJVUIIODA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088181
Brc1c(C(=O)NC(c2n3CCCc3nn2)C)cccc1	PC-id_60955979	335.199	DHCCQHLUGIXMIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088182
Brc1cncc(c1)CNC(=O)c1n(C)nc2c1CCC2	EMOLS-id_318825045	335.199	HCJVKGLBPBPHTQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088183
c1(CNC(=O)c2cncc(Br)c2)c2CCCc2nn1C	EMOLS-id_53884631,PC-id_91819381,MCULE-6553484554,ZINC22_225817745	335.199	KSDWNLBWZKXZCV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088184
Cc1cc(Br)ccc1C(=O)NCc1nnc2n1CCC2	ZINC22_54151407,EMOLS-id_36642192,MCULE-1064380962,PC-id_52366904	335.199	ZSJVKVDUWABXRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088185
Cc1ccc(Br)c(C(=O)Nc2c3c(nn2C)CCC3)n1	ZINC22_930591378,MCULE-6216297485,PC-id_136562781,EMOLS-id_316961947	335.199	FTJVOAYULNXSPV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088186
Cc1ccc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)Br	EMOLS-id_319074348	335.199	VIXGFGDNEUCVFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088187
CC(C(=O)Nc1ccccc1Br)N1CCn2c1ncc2	PC-id_136563302,EMOLS-id_316983711,MCULE-5208597765	335.199	QKRUCSSJKSEISN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088188
C[C@@H](C(=O)Nc1ccccc1Br)N1CCn2ccnc12	ZINC22_931529381	335.199	QKRUCSSJKSEISN-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-088189
C[C@H](C(=O)Nc1ccccc1Br)N1CCn2ccnc12	ZINC22_931529382	335.199	QKRUCSSJKSEISN-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088190
C[C@H](NC(=O)c1cccc(Br)c1)c1nnc2n1CCC2	ZINC22_37502885,PC-id_93318208	335.199	DQGKQCVMZBWART-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-088191
C[C@@H](NC(=O)c1cccc(Br)c1)c1nnc2n1CCC2	ZINC22_37502886,PC-id_93318209	335.199	DQGKQCVMZBWART-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088192
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Br)cc1	MCULE-3273054897,EMOLS-id_29685579,ZINC22_37497341,CoCoCo_4491564,PC-id_45802672	335.199	ASEDMQHJTJZIEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088193
CN(C(=O)c1c2c(nn1C)CCC2)c1ccc(Br)cn1	EMOLS-id_316943090,PC-id_136569700,ZINC22_902693655,MCULE-8538863751	335.199	IWSITASOTPVIRL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088194
O=C(c1cncc(c1C)Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319394777	335.199	YXAIIQAZWNOOIW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088195
O=C(c1nn2c(c1Br)CCC2)N[C@@H](c1ccncc1)C	EMOLS-id_318924040	335.199	IVGZWSRJNQBVKA-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088196
O=C(NC1CCn2c1cnc2)Cc1cc(Br)cc(n1)C	EMOLS-id_318945901	335.199	DBBYNYGCXBAQPS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088197
O=C(NC1CCn2c1ncc2)Cc1cc(Br)cc(n1)C	EMOLS-id_318923385	335.199	JAJOKIHLEJHYSE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088198
O=C(NCCc1ccccn1)c1c(Br)nc2n1CCC2	MCULE-9953363134,ZINC22_585140165,EMOLS-id_276231930	335.199	KCIJGAUHYLKNNB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088199
O=C(NCCc1nnc2n1CCC2)c1ccc(Br)cc1	ZINC22_78389544,MCULE-6588475496,EMOLS-id_50299851,PC-id_91647443	335.199	KORLWSZNNWBFBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088200
Brc1cnsc1S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_320080242,MCULE-7576708193	335.201	JRKCTAMTKMMAFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088201
Brc1cnsc1S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_318997494	335.201	MKRYOBTXDSUDPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088202
ICCCNC(=O)c1sc2c(c1)CCC2	PC-id_114504259	335.204	JUJDTAXVUCZGJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088203
COC1=CC(=N/C/1=C/c1cc2c(n1B(O)C)CCC2)c1cccn1C	SCHEMBL13922071,PC-id_59896561	335.208	YIUVWVXACIJPOX-LFIBNONCSA-N	00000011110000000000100010000000000000000000000000000000	25-01-088204
OB(n1c2c(CCC2)cc1C=C1N=C(C=C1OC)c1n(ccc1)C)C	PC-id_72590643	335.208	YIUVWVXACIJPOX-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-088205
BrCC1(N(c2n(C1)c(=S)n(n2)C)C(=O)OCC)C	PC-id_10958595	335.221	UBEGRTMELDJRLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088206
CCN(CC)CCN1CC2=C(C1=O)C(=C(N2)C(=O)OC(C)(C)C)C	PC-id_153696015	335.221	SWRUBWPWVJXQLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088207
N#Cc1cnc(c(c1)Br)NCc1sc2c(n1)CCC2	MCULE-8604168526,EMOLS-id_318645790	335.222	IIHKTCADNFUWFO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088208
N#Cc1ncc(cc1NCc1sc2c(n1)CCC2)Br	EMOLS-id_318758624,MCULE-1126433616	335.222	YBHSYHKECIFUQZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088209
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)OCC	MCULE-3023019296,EMOLS-id_330968827	335.239	WUGAZLGUBUJYJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088210
CC1CCc2c1c(CO)nn2Cc1ccc(Br)cc1C	MCULE-4384960328,EMOLS-id_331007993	335.239	CUHZLFOBSMKFFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088211
CC1CCc2c1c(CO)nn2Cc1ccc(Br)c(C)c1	MCULE-9180992271,EMOLS-id_331008249	335.239	WCNVXHPTOYLSQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088212
CC1CCc2c1c(CO)nn2Cc1ccc(C)c(Br)c1	EMOLS-id_331009273,MCULE-4566894960	335.239	DXDPJUOZLGBJIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088213
CC1CCc2c1c(CO)nn2Cc1cc(C)cc(Br)c1	MCULE-7822192652,EMOLS-id_331009529	335.239	KCZPVVIUNPCOQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088214
CC1CCc2c1c(CO)nn2Cc1ccc(C)cc1Br	EMOLS-id_331006970,MCULE-5347404454	335.239	WFQUMQINYOKSQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088215
CC1CCc2c1c(CO)nn2Cc1cccc(C)c1Br	EMOLS-id_331007482,MCULE-3500334124	335.239	WBMQOHJPKWWOFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088216
CC1CCc2c1c(CO)nn2Cc1cc(C)ccc1Br	MCULE-8287725612,EMOLS-id_331007226	335.239	IPIFTSZOSFLANR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088217
CC1CCc2nn(Cc3ccc(Br)cc3C)c(CO)c12	MCULE-1429027295,EMOLS-id_330990772	335.239	FTHPKXMKRVFGMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088218
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(CO)c12	EMOLS-id_330991028,MCULE-9392477590	335.239	KQHRNXLUIFHPKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088219
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(CO)c12	EMOLS-id_330992052,MCULE-4601196159	335.239	ZUODJZSMUAGGNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088220
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(CO)c12	EMOLS-id_330992308,MCULE-7206085725	335.239	QTQWNWKPWTWHRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088221
CC1CCc2nn(Cc3ccc(C)cc3Br)c(CO)c12	MCULE-1575514397,EMOLS-id_330989749	335.239	PRJYBJXUOZJQQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088222
CC1CCc2nn(Cc3cccc(C)c3Br)c(CO)c12	MCULE-3015792341,EMOLS-id_330990261	335.239	JOGWMCNKYFCJEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088223
CC1CCc2nn(Cc3cc(C)ccc3Br)c(CO)c12	MCULE-4896739811,EMOLS-id_330990005	335.239	VAFMNLMITZVMHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088224
CCOc1ccccc1Cn1nc2CCC(C)c2c1Br	MCULE-1560759130,EMOLS-id_331017897	335.239	IWODBSDVXNKGQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088225
CCOc1ccccc1Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330966269,MCULE-3098348424	335.239	KEJBJNLWKOPNKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088226
CCOc1ccc(Cn2nc3CCC(C)c3c2Br)cc1	EMOLS-id_331016360,MCULE-8182679978	335.239	MMIGTYITFJIQES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088227
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1Br	MCULE-4799337681,EMOLS-id_331022242	335.239	QOKYGKKDDHJCDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088228
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Br	MCULE-5947492501,EMOLS-id_331019424	335.239	DJIUSBWDRVESHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088229
COc1ccccc1C(C)n1nc2CCC(C)c2c1Br	MCULE-9069657475,EMOLS-id_331019172	335.239	UKSHIHYHYQZBKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088230
COc1ccccc1Cn1nc2CCC(C)c2c1CBr	EMOLS-id_331013307,MCULE-6695779915	335.239	DWNHNWPODJBEQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088231
COc1ccccc1Cn1nc(CBr)c2C(C)CCc12	MCULE-3066025366,EMOLS-id_331034369	335.239	GDGXTSLMPSVWKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088232
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1Br	EMOLS-id_331018153,MCULE-9418419559	335.239	MHSFWFBCMNFHAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088233
COc1ccc(C)cc1Cn1nc(Br)c2C(C)CCc12	MCULE-7965263630,EMOLS-id_330966525	335.239	SEISPLIOPANKSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088234
COc1ccc(C)c(Cn2nc3CCC(C)c3c2Br)c1	MCULE-1610344512,EMOLS-id_331015598	335.239	VXPZRRFQVXTNCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088235
COc1ccc(C)c(Cn2nc(Br)c3C(C)CCc23)c1	MCULE-8525574369,EMOLS-id_330972145	335.239	WSPYFSQZSAOTFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088236
COc1cccc(Cn2nc3CCC(C)c3c2Br)c1C	MCULE-6677760407,EMOLS-id_331015342	335.239	BHSKKBJWUKZDNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088237
COc1cccc(Cn2nc3CCC(C)c3c2CBr)c1	EMOLS-id_331010234,MCULE-5042102816	335.239	JREOBHZLXYIZNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088238
COc1cccc(Cn2nc(Br)c3C(C)CCc23)c1C	EMOLS-id_330971889,MCULE-9529862712	335.239	LXESJDDJJMOTAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088239
COc1cccc(Cn2nc(CBr)c3C(C)CCc23)c1	EMOLS-id_331031296,MCULE-8460287566	335.239	DXHOEVKEYFUYHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088240
COc1ccc(Cn2nc3CCC(C)c3c2Br)cc1C	MCULE-4563484369,EMOLS-id_331017381	335.239	RRZHXRZXOPYTSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088241
COc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1	MCULE-3608972820,EMOLS-id_331012791	335.239	IJLZBSZLICXNPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088242
COc1ccc(Cn2nc(Br)c3C(C)CCc23)cc1C	MCULE-3010328904,EMOLS-id_330965753	335.239	FXGRNOBVGMKWQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088243
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1	MCULE-3344141538,EMOLS-id_331029773	335.239	NOLDSXLTWOZDCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088244
COc1cc(Cn2nc3CCC(C)c3c2Br)ccc1C	MCULE-3854791515,EMOLS-id_331014824	335.239	OLLMZGISQUAULK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088245
COc1cc(Cn2nc(Br)c3C(C)CCc23)ccc1C	EMOLS-id_330967291,MCULE-4319854041	335.239	AQDNJUDNEMPLLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088246
COCc1ccccc1Cn1nc2CCC(C)c2c1Br	MCULE-3654849094,EMOLS-id_331015854	335.239	BWZDGGNCXUGAAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088247
COCc1ccccc1Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330972401,MCULE-3479623271	335.239	ILGHWOZEQVJMMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088248
Brc1ccc(c(c1)C)C(NCc1nnc2n1CCC2)C	EMOLS-id_318694255,MCULE-6449227480	335.242	LRGUXEZICOVHNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088249
Brc1c(cc(CNC(c2n3CCCc3nn2)C)cc1)C	MCULE-5199431243,PC-id_66475050,EMOLS-id_317951157	335.242	RTUTVXVWDZSSMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088250
Brc1ccc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_43748092	335.242	VARMXBNYVNHNHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088251
Brc1ccc(nc1)C(NC(c1cc2n(n1)CCC2)C)C	EMOLS-id_318312795,MCULE-8209111002	335.242	VQLOYYYVODOKAV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088252
Brc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1	PC-id_43748159	335.242	GKNQZWXURRLCGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088253
Brc1c(C(NC(c2n3CCCc3nn2)C)C)cccc1	PC-id_43748150	335.242	RBRXONXHQGFZPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088254
Cc1ccc(c(c1)Br)CNC(c1nnc2n1CCC2)C	MCULE-4255712092,PC-id_115556626,EMOLS-id_318265044	335.242	QIFCQQSVUYYWOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088255
CCc1cc(Br)c(nc1NCc1cnc2n1CCC2)C	EMOLS-id_318146987,MCULE-1190509040	335.242	MVJBPNQNYGUNPB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088256
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)Br)C	EMOLS-id_317930894,MCULE-5326890996,PC-id_115875993	335.242	DPAPLNYJSLVFFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088257
CC(c1nnc2n1CCC2)NCc1cccc(c1Br)C	EMOLS-id_318379615,MCULE-1704691181	335.242	FAIXHOJCCBOYTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088258
Brc1c(cc(C(=O)c2sc3CCCc3c2)c(c1)C)C	PC-id_64182810	335.259	FQICECDMKIQTOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088259
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)OCC)C(=O)OCC	MCULE-6325945531,EMOLS-id_324346976	335.279	HPFPSNIDMQMLGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088260
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_324342889,MCULE-4898990226	335.279	KYFIYKMGRVKTEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088261
CC(C)(C)OC(=O)N1Cc2nn(CC(F)(F)F)cc2C1C(=O)O	MCULE-2150873153,EMOLS-id_259640395	335.279	XUGNNIUTYYXZRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088262
O[C@@H]1CON(C[C@@H]1O)C(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_319577229	335.279	CVHARTJEPZGVTH-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088263
N#Cc1cc(cnc1C(F)(F)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319983131,MCULE-1231527208	335.284	GSDBAVUCEFDYBZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088264
BrC(c1sc2c(CCC2)c1)c1c(cc(cc1C)C)C	PC-id_63440081	335.302	YDBBTQOTYXUEFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088265
BrC(c1sc2c(CCC2)c1)c1ccc(CCC)cc1	PC-id_63440678	335.302	VIZZATKBRULNPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088266
BrC(c1sc2c(CCC2)c1)c1ccc(C(C)C)cc1	PC-id_63443504	335.302	BCVQRQBDCXIRIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088267
BrC(c1sc2c(CCC2)c1)Cc1c(ccc(c1)C)C	PC-id_63530739	335.302	VYFPYOLLRIJDDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088268
BrC(c1sc2c(CCC2)c1)Cc1cc(c(cc1)C)C	PC-id_63542731	335.302	HPTJWYUMPDIZPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088269
c12CN(Cc1nn(CC(F)F)c2C=O)C(=O)OCc1ccccc1	EMOLS-id_324347497,MCULE-9528859972	335.305	QABBOPXGDJGPLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088270
Cn1cc(c(n1)C(F)(F)F)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-1472429012,EMOLS-id_316472426	335.305	YIWFCTFRUUHHRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088271
Cn1nc(c(c1)NS(=O)(=O)c1cnc2n1CCC2)C(F)(F)F	EMOLS-id_100970776	335.305	WLOXEFUZILHFTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088272
FC(Cn1ccc(n1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_319378565	335.305	GHTGESFKHSWASK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088273
FC(Cn1ccc(n1)NS(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_100970764	335.305	SZAFZQGWDBXJTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088274
OC1CN(C(C1)c1cc(F)ccc1F)C(=O)c1nn2c(c1)OCC2	EMOLS-id_318137595	335.305	ADEJGEPOVSYMTK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088275
O=C(CCNC(=O)c1cnn2c1CC(F)(F)C2)Nc1cccnc1	ZINC22_1875306480	335.309	HZRSXROFHOQPLZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088276
C1CC(=O)N(C1=O)OC(=O)c1nn(c2c1C=C=C2)Cc1ccccc1	PC-id_89374975,SCHEMBL14597181	335.314	PVVAZCOFOADCOQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-088277
c1c(nc2n1C(=O)C(=O)S2)C=C1C2N(C1=O)C(=CS2)C(=O)O	PC-id_88434723	335.315	UWMNXPOEXAUADW-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-088278
O=C1/C(=C/c2cn3c(n2)SC(=O)C3=O)/[C@@H]2N1C(=CS2)C(=O)O	PC-id_67764655,SCHEMBL9067410	335.315	UWMNXPOEXAUADW-AMFUIUNQSA-N	00001011100000000001001010000000000000000000000000000000	25-01-088279
O=C1C(=Cc2cn3c(n2)SC(=O)C3=O)[C@@H]2N1C(=CS2)C(=O)O	SCHEMBL9249106,PC-id_67805470	335.315	UWMNXPOEXAUADW-SECBINFHSA-N	00001011100000000001001010000000000000000000000000000000	25-01-088280
C=C/C=C(/C1CC(c2n1nc(n2)S(=O)CF)F)C(=C(F)/C)F	PC-id_142577257	335.32	WNSCKOVOXIOYDK-DAOKFOGXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088281
O=C(C1CC1c1cc(F)c(c(c1)F)F)NCc1cnc2n1CCC2	EMOLS-id_319031017	335.324	PNDFMNDTBGCCQH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088282
O=C(C1CC1c1cc(F)c(c(c1)F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318781769	335.324	KITAJUBLZMSXLJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088283
O=C(c1cn2c(n1)CCC2)N[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F	EMOLS-id_319037964	335.324	GTVJNLDBXYAUJK-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088284
O=C(c1cnc2n1CCC2)N[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F	EMOLS-id_318868267	335.324	XTMXEPVVXMKZRI-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088285
O=C(c1cnn2c1CCC2)N[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F	MCULE-2789574899,EMOLS-id_320170974	335.324	ACGLFOYULSDLCL-GXTWGEPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088286
O=C(c1nn2c(c1)CCC2)N[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F	EMOLS-id_320335750,MCULE-6012342054	335.324	BRIYHBOMEARCLK-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088287
O=C(c1n[nH]c2c1CCC2)NC1CC1c1ccccc1C(F)(F)F	EMOLS-id_97794422	335.324	AOFSPNJMJABMPW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088288
O=C(c1n[nH]c2c1CCC2)N[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F	MCULE-2080764363,EMOLS-id_320186064	335.324	AQEWJSKNBRFOHA-GXTWGEPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088289
c1(NC(=O)c2ccc(N(=O)=O)o2)sc2c(CCC2)c1C(=O)NC	PC-id_7474996,EMOLS-id_30116653,CoCoCo_5058635,ZINC22_5055696,MCULE-6772497256	335.335	WRIMFFWPZLHQDG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-088290
s1c2c(CCC2)c(c1NC(=O)c1oncc1)C(=O)NC(=O)OC	PC-id_41180050	335.335	RXAQIYJGQBOBTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088291
c1(C(=O)N)c2CCCc2sc1NC(=O)c1nn(C)cc1N(=O)=O	EMOLS-id_4015468,MCULE-4206695531,ZINC22_2775026,PC-id_19575307,TIMTEC57472	335.338	APEFFADBWYPCDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088292
N#CC1=C(N)n2n(C1(C#N)C#N)c(=O)sc2=NCc1ccccc1	PC-id_139226737	335.343	VRBJVHCDZZSZJE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-088293
Cc1nn2c(n1)C(=NNc1nc(ns1)C)C(=N2)NC(=O)C(C)O	PC-id_89282759	335.345	AFCOJLCZLFGUFW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-088294
s1nc(nc1N/N=C/1c2n(N=C1NC(=O)OCC)nc(n2)C)C	PC-id_59696941	335.345	FULSZQPBQNCSHY-CHHVJCJISA-N	00000011100000000001000010000000000000000000000000000000	25-01-088295
s1nc(nc1NN=C1c2n(N=C1NC(=O)OCC)nc(n2)C)C	PC-id_71098832	335.345	FULSZQPBQNCSHY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-088296
CCC(c1ccccc1OC(F)F)NC(=O)c1cnn2c1CCC2	EMOLS-id_316911187,MCULE-7175505057	335.348	XWRQPWLAMTWBDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088297
CCC(C(c1c(F)cccc1F)O)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_177267225,MCULE-6063768526	335.348	FNLXPCRFMCHNCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088298
CC[C@H](NC(=O)c1cc2n(n1)CCC2)[C@H](O)c1c(F)cccc1F	ZINC22_296247744	335.348	FNLXPCRFMCHNCM-BBRMVZONSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088299
CC[C@@H](NC(=O)c1cc2n(n1)CCC2)[C@H](O)c1c(F)cccc1F	ZINC22_296247746	335.348	FNLXPCRFMCHNCM-CJNGLKHVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088300
CC[C@@H](NC(=O)c1cc2n(n1)CCC2)[C@@H](O)c1c(F)cccc1F	ZINC22_296247748	335.348	FNLXPCRFMCHNCM-CZUORRHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088301
CC[C@H](NC(=O)c1cc2n(n1)CCC2)[C@@H](O)c1c(F)cccc1F	ZINC22_296247750	335.348	FNLXPCRFMCHNCM-XJKSGUPXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088302
CC[C@@H](NC(=O)c1cnn2c1CCC2)c1ccccc1OC(F)F	ZINC22_294641986	335.348	XWRQPWLAMTWBDK-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088303
CC[C@H](NC(=O)c1cnn2c1CCC2)c1ccccc1OC(F)F	ZINC22_294641991	335.348	XWRQPWLAMTWBDK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088304
FC(Oc1c(C)cc(cc1C)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_319524684	335.348	PXXQTQDTYHUENZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088305
FC(Oc1c(C)cc(cc1C)C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_319912965,MCULE-4993409949	335.348	JFICJTXHEWXOSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088306
O=C(O)CCN(Cc1ccc(F)c(F)c1)Cc1cc2n(n1)CCC2	MCULE-8559958953,EMOLS-id_316964660,ZINC22_864096050	335.348	XHBGCOMFRFILDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088307
CSc1cc2n(c1C(=O)c1ccc(cc1)F)CCC2OC(=O)O	SCHEMBL10815375,PC-id_70449865	335.35	ZWUSYYFOMYKOGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088308
CCC(c1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)(F)F	EMOLS-id_319489957	335.352	BFINDVLNEWMNBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088309
C#CCCC1(CCNC(=O)Cn2nc(C(F)F)c3c2CCC3)N=N1	PC-id_146149833,ZINC22_1875368787	335.352	PPTCIVBVCLRZNZ-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-088310
C[C@@H](NC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1	PC-id_97048539,ZINC22_86338422	335.352	NIYMQAJVUOWCNN-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088311
C[C@H](NC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1	ZINC22_86338421,PC-id_97048538	335.352	NIYMQAJVUOWCNN-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-088312
Fc1cc(C(NC(=O)NCCc2n3CCCc3nn2)C)ccc1F	PC-id_71922292,MCULE-9199025257,EMOLS-id_45663911	335.352	NIYMQAJVUOWCNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088313
Fc1cc(N2CCOCC2)c(cc1NC1CC(n2c1ncn2)C)F	MCULE-7692046429,EMOLS-id_318758988	335.352	YKCNVOHSBJMDGW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-088314
O=C(NC1CC(n2c1ncc2)C)Cn1nc(cc1C1CC1)C(F)F	EMOLS-id_319335445	335.352	SQUSJDAJAVTUBI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-088315
O=C(Nc1n(C)nc2c1CCC2)Cn1nc(cc1C1CC1)C(F)F	EMOLS-id_319877960	335.352	RAJGRIFRZSGNGL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-088316
O=C(N(Cc1ccc(c(c1)F)F)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318740419	335.352	BUGKNCVFYCKZTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088317
c12NC(=O)C(CC(=O)Nc3ccc(cc3F)C)n1nc(SC)n2	PC-id_135993999,MCULE-7870515873	335.357	CEUHNCAQAXERDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088318
C#CCN1Cc2c(C1=O)n(c(n2)C#Cc1ccc(c(c1)OC)OC)C	SCHEMBL16199468,PC-id_117669589	335.357	WCXRYYKALJSURH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088319
CCCN1C(=O)NC(CC(=O)N2Cc3cnn(CCO)c3C2)C1=O	MCULE-8779769105,EMOLS-id_55659424,PC-id_91836666	335.358	DPPOXOWOVAFCFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088320
CCCN1C(=O)N[C@H](CC(=O)N2Cc3cnn(CCO)c3C2)C1=O	ZINC22_252482876	335.358	DPPOXOWOVAFCFX-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088321
CCCN1C(=O)N[C@@H](CC(=O)N2Cc3cnn(CCO)c3C2)C1=O	ZINC22_252482877	335.358	DPPOXOWOVAFCFX-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-088322
CCN1CCN(CC1=O)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319787389	335.358	KQCWSERWMVLEAR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088323
COC(=O)c1c(NC(=O)N2CCN(C(=O)C2C)C)nc2n1CCC2	EMOLS-id_319560704	335.358	SARNDFFMMAQYPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088324
O=CN1CCCN(CC1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319463599	335.358	KJDUEQSRPHFLNJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088325
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1cccc(c1)C#N	MCULE-3960746106,EMOLS-id_239630423	335.36	RIMAJXCKQDXDOD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-088326
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccc(cc1)C#N	MCULE-3961988397,EMOLS-id_239630426	335.36	CXSFPJGABDWNDF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-088327
c1(C(=O)NCc2ccccn2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316328754,MCULE-8590021463	335.36	UHKGCDPEYIKSSP-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088328
c1(C(=O)NCc2cccnc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-6188090811,EMOLS-id_316325690	335.36	YLBHKORXQYILQR-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088329
c1(C(=O)NCc2ccncc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316323644,MCULE-2935607225	335.36	MRKUQWCQFIAGBZ-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088330
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)NCc1cccnc1	MCULE-6085350066	335.36	YLBHKORXQYILQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088331
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)NCc1ccncc1	MCULE-5136784406	335.36	MRKUQWCQFIAGBZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088332
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)NCc1ccccn1	MCULE-4298560896	335.36	UHKGCDPEYIKSSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088333
O=C(c1nc2c(o1)CN(C2)Cc1cccnc1)NCc1cccnc1	PC-id_97442819	335.36	HJNILDWWMXGAOS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088334
O=C([C@@H]1NCc2c1cnn2C)Nc1ccc(cc1)n1ccccc1=O	SCHEMBL14622800,PC-id_71219701	335.36	AGSCCMDJIVWHNB-QGZVFWFLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-088335
O=C(Nc1ccc(n2c(=O)cccc2)cc1)C1NCc2n(ncc12)C	PC-id_78039641	335.36	AGSCCMDJIVWHNB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-088336
O=C(Nc1ncccc1OCc1ccncc1)c1n[nH]c2c1CCC2	MCULE-5165237625,PC-id_71879530,EMOLS-id_45757610,ZINC22_89773308	335.36	XJAHIRZQVLCAAO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088337
O=C(NCc1ccncc1)c1nc2CN(Cc3cccnc3)Cc2o1	ZINC22_96147296,EMOLS-id_44304376,PC-id_97442820	335.36	SKTMWEYHBPUVKG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088338
O=C(NCc1nnc2n1CCC2)c1ccc(c2ccccc2)[nH]c1=O	ZINC22_75120433,EMOLS-id_42955151,PC-id_72049022,MCULE-8208406274	335.36	ARQSTLYZMLMPRF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-088339
O=C(NCc1nnc2n1CCC2)c1ccccc1Oc1cccnc1	PC-id_49594211,MCULE-3383544004,EMOLS-id_33319713,ZINC22_52026376	335.36	AJMAPNXEPMKPCN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-088340
O=C(NCc1nnc2n1CCC2)c1cccnc1Oc1ccccc1	PC-id_25671545,ZINC22_13012961,CoCoCo_4663529,MCULE-2880905850,EMOLS-id_24139863	335.36	UYGPWTGURRCURR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-088341
CC(C)(C)OC(=O)NCCC(c1c2N(CCn2nc1)C=O)[N-][N+]#N	PC-id_86626040,SCHEMBL4202513	335.362	ZNYRAZDQBMMHJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088342
Cn1c2c(CN(C2)C(=O)Nc2c(ccc(n2)c2cnccc2)N)cn1	SCHEMBL20392643,PC-id_135234343	335.363	AZVNPPYGUYSVIF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-088343
Cn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)c1cccnc1	BindingDB-id_961282,PC-id_135234287,SCHEMBL20392569	335.363	RQFQDZYLIRMRMV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-088344
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)Nc1cccnn1	EMOLS-id_189696002,ZINC22_192321476,MCULE-7387871296	335.363	GMRDZCQOSQHALA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088345
O=C(NCc1nnc2n1CCC2)c1cccc(Nc2ncccn2)c1	PC-id_32178769,EMOLS-id_31391133,ZINC22_24861168,MCULE-3767184191	335.363	STNKQZLOGCVIQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088346
CCC(CC)c1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324850414	335.372	DQJHHYFFPRYPIM-QPEQYQDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088347
CCC(CC)c1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324849902	335.372	AQSHAWRFBVEVHV-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088348
CCC(CC)c1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324856035	335.372	LSFVKKGKRRGXRV-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088349
n12c(=O)c(=Cc3ccc(cc3F)F)sc1nc(C(CC)CC)n2	MCULE-5345195158	335.372	DQJHHYFFPRYPIM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088350
n12c(=O)c(=Cc3ccc(c(F)c3)F)sc1nc(C(CC)CC)n2	MCULE-8172053062	335.372	AQSHAWRFBVEVHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088351
n12c(=O)c(=Cc3cc(F)ccc3F)sc1nc(C(CC)CC)n2	MCULE-6892243417	335.372	LSFVKKGKRRGXRV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088352
COC(=O)C1=CNC(=CSC1Cc1oc2c(c1)CCC2)C(=O)O	PC-id_69419185,SCHEMBL5368825	335.375	VGUDEUJBMZRDSP-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-088353
COS(=O)(=O)c1ccccc1Cc1ccc2n1CCC2C(=O)O	SCHEMBL11003137	335.375	PXSOHODZYVFJKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088354
Fc1c(c2ccc(CC(=O)Nc3n[nH]c4CCCc34)cc2)cccc1	PC-id_9923794	335.375	BUMOSCWEPPFDBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088355
Fc1cc(c2ccc(CC(=O)Nc3n[nH]c4CCCc34)cc2)ccc1	PC-id_9880843,SCHEMBL6542337	335.375	CDOUZKVJSDBZDB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088356
Fc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1	MCULE-4750768086,EMOLS-id_328223865	335.375	WQJUIZYQBAPXAY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-088357
Fc1c(CN2C(=O)C(n3c2ncc3)(Cc2ccccc2)C)cccc1	PC-id_74221981	335.375	HCFWCHMSNCBVDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088358
c1(C(=O)Nc2c(O)ccc(c2)S(=O)(=O)CC)c2CCCc2[nH]n1	MCULE-8617612883,EMOLS-id_335085909	335.378	CXNSFAOOEICFJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088359
CCc1ccc(C(=O)O)cc1NS(=O)(=O)c1cnc2n1CCC2	MCULE-1818741825,EMOLS-id_316876333,ZINC22_547938263	335.378	OODASUMMUSHDAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088360
CC([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)O)SC1CCn2c1cnc2)O	SCHEMBL10335187,PC-id_68113070	335.378	JJKKLVLQQNLFHU-ZJSODNJOSA-N	00001011100000000001001010000000000000000000000000000000	25-01-088361
CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cccc(C)c1)CC2	MCULE-8097972964,ZINC22_1775999598,EMOLS-id_317025076	335.378	PPXXWOSFADCANG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088362
CCOC(=O)/C(=N/Nc1sc2c(c1C(=O)OCC)CCC2)/C#N	PC-id_145971894	335.378	MMXKNBXLHSCHSZ-LICLKQGHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088363
CNC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCC2	PC-id_7195557,CoCoCo_2580153	335.378	JQTREQTZNNOIQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088364
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1onc2CCCc12	PC-id_16809649,EMOLS-id_53850509,Chemmine_45363,MCULE-5352389897,CoCoCo_5123832,ZINC22_8976379	335.378	UUAAOZZVVNGHNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088365
COc1ccc(S(=O)(=O)NC(=O)c2cn3c(n2)CCC3)cc1C	PC-id_145878711,MCULE-2070319488,ZINC22_1615046791,EMOLS-id_316899234	335.378	VNGXYYPMOTWRLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088366
O=C(c1oc2c(n1)CN(C2)S(=O)(=O)C)NCCc1ccccc1	PC-id_97525819	335.378	VUBOGPNYUSPCLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088367
O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cnc2n1CCC2	PC-id_120395152,EMOLS-id_72219604,MCULE-4447613634,ZINC22_262476167,MCULE-6517042032	335.378	VBILPTFLPZXJIO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088368
OC(=O)[C@@H](NS(=O)(=O)c1cnc2n1CCC2)Cc1ccccc1	MCULE-8845291647,EMOLS-id_72225246,PC-id_120394846,MCULE-7481903984	335.378	VBILPTFLPZXJIO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088369
s1c2CCCc2c(c1NC(=O)CCC(=O)NCCC(=O)O)C#N	PC-id_82033848	335.378	CCVSIPNWNMPABV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088370
S1Cc2c(noc2NC(=O)NCc2cc(OC)c(OC)cc2)C1	PC-id_49720620	335.378	SADRRJIEJPDREA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088371
S(C1=C(N2C(C(C2=O)C(O)C)C1)C(=O)O)C1CCn2c1cnc2	PC-id_14884690	335.378	JJKKLVLQQNLFHU-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-088372
c1(NC(=O)c2cc(on2)c2ccccc2)sc2c(CCC2)c1C#N	CoCoCo_380790,PC-id_1093759,EMOLS-id_1513483,TIMTEC338397,MCULE-5169879107,ZINC22_815056,BAS-09529755	335.38	NPEQZGKVMMUHPY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088373
Cc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	ZINC22_27022473,EMOLS-id_45970472	335.38	LLIVTIOBBCAFDP-TYQAZIJWSA-N	00000000101000110001000010000000000000000000000000000000	25-01-088374
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccco4)/c(=O)n3n2)cc1	ZINC22_16735655,EMOLS-id_45964885	335.38	LWVKEUKFBWFZKJ-NOCYUORASA-N	00000000101000110001000010000000000000000000000000000000	25-01-088375
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1ccccc1	MCULE-7026346496	335.38	FMKCNVWDRJYDGQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088376
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)C	MCULE-5096608900	335.38	ZMQRPPQKJZVVGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088377
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)Cc1ccccc1	MCULE-2047954503	335.38	GQQKDXZFNPZRDM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088378
n12ncnc1sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O	MCULE-6728006083,EMOLS-id_299965898	335.38	QIWCKVHMUWWEFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088379
n12ncnc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O	MCULE-8050451327	335.38	CJEQUZISXUUACV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088380
n12nc(nc1sc(=Cc1ccc(C)o1)c2=O)C=Cc1ccccc1	EMOLS-id_31274824,MCULE-9626932423	335.38	LLIVTIOBBCAFDP-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-088381
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)Cc1ccccc1	MCULE-8235359053	335.38	GMYZXIFVLAJFMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088382
n12nc(nc1sc(=Cc1ccco1)c2=O)C=Cc1ccc(cc1)C	MCULE-3398523051	335.38	LWVKEUKFBWFZKJ-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-088383
O=c1/c(=C/c2ccc(cc2)OCc2ccccc2)/sc2n1ncn2	BAS-03308487,ZINC22_187538,EMOLS-id_1427344,STOCK2S-27121	335.38	QIWCKVHMUWWEFL-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088384
O=c1/c(=Cc2ccc(OCc3ccccc3)cc2)/sc2ncnn12	ZINC22_187533	335.38	QIWCKVHMUWWEFL-MHWRWJLKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088385
Oc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324835060	335.38	GQQKDXZFNPZRDM-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088386
Oc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324833527	335.38	GMYZXIFVLAJFMT-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088387
O=c1n2nc(COc3ccccc3)nc2s/c/1=Cc1ccccc1	EMOLS-id_324840702	335.38	FMKCNVWDRJYDGQ-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088388
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)Nc1ccccc1	PC-id_22976053,SCHEMBL7150769	335.38	SOXNJURQFYSRSL-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-088389
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)Nc1ccccc1	PC-id_70005031,SCHEMBL7150765	335.38	SOXNJURQFYSRSL-UKTHLTGXSA-N	00000010110000110000000010000000000000000000000000000000	25-01-088390
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)Nc1ccccc1	SCHEMBL7150761	335.38	SOXNJURQFYSRSL-LCYFTJDESA-N	00000010110000110000000010000000000000000000000000000000	25-01-088391
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NS(=O)(=O)C)Cc12	EMOLS-id_316334428,MCULE-6254574666	335.381	RCYQLOCLPATAJC-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-088392
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cscn2)n1	EMOLS-id_316334388,MCULE-6144513855	335.381	OSNVXIHIZKRJGZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-088393
CCC(=O)N(c1n[nH]c2c1CN(C2)S(=O)(=O)N)c1ccccc1	SCHEMBL2919774,PC-id_68441055	335.381	VGUXXCRQEAFTOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088394
CNC(=O)c1ccc(cc1)S(=O)(=O)NCc1nnc2CCCn12	ZINC22_351448877,MCULE-9280732970,EMOLS-id_316246105	335.381	GGZJFZZOGMSUHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088395
CN(C(=O)c1nccc(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97699997	335.381	SONKLNQVMIELDK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088396
CN(C(=O)c1n[nH]c2c1CN(C2)S(=O)(=O)C)Cc1ccccn1	PC-id_97389054	335.381	KMMIIASQTPBYIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088397
CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCn3ccnc23)cc1	ZINC22_1365000834,EMOLS-id_316959043,MCULE-9599644906	335.381	MTJJISYTOKZNQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088398
CNS(=O)(=O)c1cccc(c1C)NC(=O)N1CCn2c1ncc2	EMOLS-id_319742960	335.381	QGWZRZIAFNWFCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088399
CNS(=O)(=O)c1cc(ccc1C)NC(=O)N1CCn2c1ncc2	EMOLS-id_319758254	335.381	CHMOCBVAWCWEQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088400
CNS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CCC3)c1	MCULE-1546197614,ZINC22_42648549,PC-id_53518723,EMOLS-id_35693007	335.381	VWIPFNWRGDUQHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088401
CNS(=O)(=O)c1ccc(cn1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_172343817,MCULE-8113691572,PC-id_122153614	335.381	FERXBKVYJSZUEA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088402
CNS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	CoCoCo_4560541,EMOLS-id_24138138,MCULE-9572809329,ZINC22_13016397,PC-id_25673264	335.381	JTROOLQQHVPJIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088403
CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C)n3ccnc23)cn1	ZINC22_408522184	335.381	FERXBKVYJSZUEA-GXSJLCMTSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088404
CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C)n3ccnc23)cn1	ZINC22_408522185	335.381	FERXBKVYJSZUEA-KOLCDFICSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088405
CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)cn1	ZINC22_408522186	335.381	FERXBKVYJSZUEA-MWLCHTKSSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088406
CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C)n3ccnc23)cn1	ZINC22_408522187	335.381	FERXBKVYJSZUEA-ONGXEEELSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088407
COC(=O)c1c(NC(=O)N(Cc2cscn2)C)nc2n1CCC2	EMOLS-id_319668703	335.381	FXDRDKRCPBBFGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088408
COC(=O)c1c(NC(=O)NCc2csc(n2)C)nc2n1CCC2	EMOLS-id_319697860	335.381	JMZAVERJBLUXQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088409
COC(=O)c1c(NC(=O)N(Cc2nccs2)C)nc2n1CCC2	EMOLS-id_319685086	335.381	SGZMHEWCLOPIHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088410
COC(=O)c1c(NC(=O)NCc2ncc(s2)C)nc2n1CCC2	EMOLS-id_319696578	335.381	HLLAHAZSQILWLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088411
COC(=O)c1c(NC(=O)NCc2scc(n2)C)nc2n1CCC2	EMOLS-id_319785120	335.381	OQCBPFLETSNBNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088412
Nc1cc(NCCc2cn3c(n2)SCC3)cc(CO)c1[N+](=O)[O-]	EMOLS-id_316320687,MCULE-9119215242,ZINC22_588018911	335.381	JEWHZWNBKLFSPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088413
O=C(C(c1ccccc1)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68439786,SCHEMBL2915957	335.381	WCMSEQMAPIRKHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088414
O=C(Cc1ccccc1C)Nc1n[nH]c2c1CN(C2)S(=O)(=O)N	PC-id_68441180,SCHEMBL2920115	335.381	GIGQSKMOKNDDSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088415
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)N)Cc1ccc(cc1)C	PC-id_68440298,SCHEMBL2917403	335.381	QWJVALXNVMLZRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088416
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)N)Cc1cccc(c1)C	PC-id_68440771,SCHEMBL2918952	335.381	XYHJLODNSJDNCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088417
s1c2CCCc2nc1NC(=O)Cn1ncc(c1N)C(=O)OCC	PC-id_53547807	335.381	SUOLDJZEWVIGFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088418
S(=O)(=O)(N1Cc2c([nH]nc2NC(=O)c2ccccc2)C1)N(C)C	PC-id_71477724	335.381	IRBDOZMCXMQZMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088419
S1c2n(C(=NNc3ccccc3)C1=NNc1ccccc1)cnn2	PC-id_86020790	335.386	BHFLYSSDORWNQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088420
CC1CCCCC1CC(S1n2cncc2N=C1C(F)(F)F)O	SCHEMBL20743337	335.388	SUIDHBNTVLSSFE-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-088421
CC1CCCC(C1)CC(S1n2cncc2N=C1C(F)(F)F)O	SCHEMBL20743943	335.388	YWGADLIYKKSCIU-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-088422
OC(S1n2cncc2N=C1C(F)(F)F)CC1CCC(C1)(C)C	SCHEMBL20744349	335.388	SEUUCQNLJJMNDX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-088423
OC(CNC(=O)c1sc2c(c1)CCC2)COc1ccc(cc1)F	PC-id_112293954	335.393	ZGWLHNJTBYINHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088424
CCc1c2C(=O)C(Cn2c(c1C)C(=O)OCC)(C)CC(=O)OCC	PC-id_134924397	335.395	QWABQTVULVIPLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088425
c1(NC(=O)c2ccc(cc2)F)n(C(C)(C)C)nc2CS(=O)Cc12	ChEMBL-DNDi_CHEMBLF0561-0424,EMOLS-id_4933869,PC-id_756301,MCULE-8214903655	335.396	DJPDNNODVZKBGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088426
c1(NC(=O)c2ccccc2F)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_4933857,PD110092,PC-id_756298,CHEMBL1336694,ChEMBL-DNDi_CHEMBLF0561-0406,MCULE-6851687244	335.396	VKLSYSGHLSKHQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088427
c1(NC(=O)c2cccc(F)c2)n(C(C)(C)C)nc2CS(=O)Cc12	ChEMBL-DNDi_CHEMBLF0561-0415,EMOLS-id_5442767,MCULE-1873889515,PC-id_756299	335.396	CUGFHDXMHVTZMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088428
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CC=C2C(=O)O	SCHEMBL10814894,PC-id_70449745	335.396	ACUUDDIUJFOOQI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-088429
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CCC2C(=O)O	SCHEMBL10816675,PC-id_20253909	335.396	NNJGZNYJSPRAFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088430
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1F)C[S@@](=O)C2	PC-id_11859861,CoCoCo_4985270,ZINC22_6530445	335.396	VKLSYSGHLSKHQQ-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088431
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1F)C[S@](=O)C2	ZINC22_212328,CoCoCo_4985269,PC-id_40514527	335.396	VKLSYSGHLSKHQQ-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088432
CC(C)(C)n1nc2c(c1NC(=O)c1cccc(F)c1)C[S@](=O)C2	CoCoCo_4985281,PC-id_40514528,ZINC22_212329	335.396	CUGFHDXMHVTZMK-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088433
CC(C)(C)n1nc2c(c1NC(=O)c1cccc(F)c1)C[S@@](=O)C2	CoCoCo_4985282,PC-id_40768437,ZINC22_8553347	335.396	CUGFHDXMHVTZMK-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088434
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(F)cc1)C[S@@](=O)C2	PC-id_40768438,ZINC22_8553348,CoCoCo_4985296	335.396	DJPDNNODVZKBGF-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088435
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(F)cc1)C[S@](=O)C2	ZINC22_212332,PC-id_40514530,CoCoCo_4985295	335.396	DJPDNNODVZKBGF-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088436
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)CC	PC-id_20253931,SCHEMBL10818559	335.396	ORHMPNSJIHYLOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088437
CCOC(=O)C1=CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)CC	PC-id_70489351,SCHEMBL11000765	335.396	GDMZBYRNHRKYPZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-088438
Fc1cccc(c1)C1CC1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319049783	335.396	QFDVCJFVQZHRCM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088439
Fc1ccc(cc1)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173995	335.396	ZMLZTLXEWHIFJF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088440
Fc1cccc(c1)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199238	335.396	QUJZXSARRYJDHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088441
Fc1cccc(c1)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176437	335.396	CCQDLTLRANIBSA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088442
Fc1ccc(cc1)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223656	335.396	CSOZRKVLZOLJLK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088443
Fc1ccccc1C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98014022	335.396	WLOMREOBWJXEPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088444
c12CN(Cc1nn(CC1CCCC1)c2C(=O)OCC)C(=O)OCC	EMOLS-id_324345711,MCULE-5388067732	335.398	XNKPWEIAMNXGRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088445
c12CN(Cc1nn(CC1CCCC1)c2C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_324345704,MCULE-2581444569	335.398	NARPXOHFFINWIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088446
Cc1c(scc1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O	SCHEMBL15015450,PC-id_89617334	335.398	SUBVUHVQIPMVFR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088447
O=C(C1(CCCO1)C(=O)OC(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_278892865	335.398	JJVGYHTVQDAHOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088448
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)N	PC-id_74696803	335.398	UFECHNNGYUEGAX-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-088449
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)N	PC-id_40558888	335.398	UFECHNNGYUEGAX-BDAKNGLRSA-M	00000010100010000000000010000000000000000000000000000000	25-01-088450
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)N	PC-id_40558892	335.398	UFECHNNGYUEGAX-IUCAKERBSA-M	00000010100010000000000010000000000000000000000000000000	25-01-088451
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)N	PC-id_40558896	335.398	UFECHNNGYUEGAX-RKDXNWHRSA-M	00000010100010000000000010000000000000000000000000000000	25-01-088452
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)N	PC-id_40558900	335.398	UFECHNNGYUEGAX-DTWKUNHWSA-M	00000010100010000000000010000000000000000000000000000000	25-01-088453
s1c2c(CCC2)c(C(=O)NC2CC2)c1NC(=O)CCCC(=O)[O-]	PC-id_27518184	335.398	OIMDPXBKSBROCL-UHFFFAOYSA-M	00100010100000000000000010000000000000000000000000000000	25-01-088454
c1(C(=O)NCCC(c2ccccc2)c2ccco2)c2CCCc2[nH]n1	MCULE-1309121003,EMOLS-id_232831990	335.4	PHQRRDCSKZFUDD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-088455
O=C(c1c(oc(c1C)C)c1ccccc1)NCc1cnc2n1CCC2	MCULE-8257381429,EMOLS-id_320167576	335.4	XBDIOAOQXVSPKT-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-088456
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccccc1	PC-id_92109335	335.4	AKWUVIACUKXZTC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-088457
O=C(NCC[C@@H](c1ccccc1)c1ccco1)c1n[nH]c2c1CCC2	ZINC22_828211755	335.4	PHQRRDCSKZFUDD-HNNXBMFYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-088458
O=C(NCC[C@H](c1ccccc1)c1ccco1)c1n[nH]c2c1CCC2	ZINC22_828211756	335.4	PHQRRDCSKZFUDD-OAHLLOKOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-088459
C1C(CN1C(=O)c1cccs1)C(=O)Nc1c2CSCc2no1	PC-id_90511261	335.401	XDCKMJJZPPBTME-UHFFFAOYSA-N	00001010100100000001000010000000000000000000000000000000	25-01-088460
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)NC3CCCC3)C2)n1	EMOLS-id_316333370,MCULE-1151258609	335.401	ANPQIBIPZSGGTN-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088461
c1(C(=O)NCCOC)cc2n(CC(NC(=O)NC3CCCC3)C2)n1	MCULE-1798678555	335.401	ANPQIBIPZSGGTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088462
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)NC3CCCC3)Cc12	EMOLS-id_317420143,MCULE-7035488145	335.401	XAIXBKVUOPWKFC-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088463
CCN1CCC(CC1)NC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319184232	335.401	XYLWDIZFXJHFTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088464
CC(NC(=O)N1Cc2c(C1)nc(o2)C(=O)NCCN1CCCC1)C	PC-id_97407322	335.401	RYQGSYOHCXBPGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088465
CN1CCCN(CC1)C(=O)c1oc2c(n1)CN(C2)C(=O)CN(C)C	PC-id_97442826	335.401	OVWYETTVMSVFEL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088466
CN(CC(=O)N1Cc2c(C1)nc(o2)C(=O)NCCN1CCCC1)C	PC-id_97525785	335.401	IRGBYUPFKPRWMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088467
COC(=O)[C@]1(C)CN(C(=O)NCCc2nnc3n2CCC3)C[C@H]1C	MCULE-4578566518,PC-id_119051657,ZINC22_241776815,EMOLS-id_75992863	335.401	RSWQHZLZEIYHKJ-BDJLRTHQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088468
COC(=O)c1c(NC(=O)N2CCN(C(C2C)C)C)nc2n1CCC2	EMOLS-id_319747617	335.401	ABOCJTCGESAEJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088469
COC(=O)c1c(NC(=O)N(CC2CCCN2C)C)nc2n1CCC2	EMOLS-id_319001680	335.401	OGZXSZWTROJWHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088470
CSc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-]	MCULE-2659694935,PC-id_25587123,CoCoCo_4164245,ZINC22_12899019,EMOLS-id_24119090	335.401	PDBJPFJMIQQCRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088471
NC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CCC2	CoCoCo_6935087,ZINC22_6242881,PC-id_3602520	335.401	SAHJFQXUAHHUDF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-088472
c1(CN(C)C(=O)c2ccc(cc2)c2nccn2C)c2CCCc2[nH]n1	PC-id_121510763,MCULE-7518132940,ZINC22_426662514,EMOLS-id_177487917	335.403	VJUHNNLMUIRMKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088473
c1(CN(C)C(=O)c2cccc(c2)Cn2cccn2)c2CCCc2[nH]n1	ZINC22_92061949,EMOLS-id_44747540,MCULE-8450183661,PC-id_70784715	335.403	WJLQEOYOALPFST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088474
c1(C(=O)Nc2ccc(cc2)Cn2c(C)cc(C)n2)c2CCCc2[nH]n1	MCULE-7632423449,EMOLS-id_323256500	335.403	GJOMHBOECODVFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088475
c1(C(=O)NCc2c3CCCc3nn2C)cnn(c2ccccc2)c1C	ZINC22_225817563,EMOLS-id_53884619,PC-id_91819375,MCULE-8494394695	335.403	MUJAVRRNTCFJFA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088476
c1(C(=O)NCc2ccccc2)c2CCCn2c(C#N)c1N=CN(C)C	MCULE-7186121669	335.403	CJMUIWIHVOIVLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088477
Cc1cccc(c1)c1nc(c([nH]1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319059394	335.403	HYAZRXLAXJNUCP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088478
Cc1cccc(c1)c1nc(c([nH]1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319685119	335.403	HSXPYKWLDHOIAT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088479
Cc1ccc(cc1C)C(=O)N1Cc2c(Cn3ccnc3)nn(C)c2C1	ZINC22_96084484,PC-id_97405310,EMOLS-id_46181973	335.403	ZSGLAJLCIKZWTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088480
Cc1cccc(c1)n1ncc(c1C)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98810500	335.403	IMEDRHHYILVIKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088481
Cc1ccc(cc1)n1nc(cc1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319062984	335.403	ASTAAFGQENNJQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088482
Cc1ccc(cc1)n1ncc(c1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319936617,MCULE-4052121153	335.403	YTQKDPHRWAUGGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088483
Cc1ccc(cc1)n1nc(cc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319338285	335.403	VSIORTZODQSPHM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088484
Cc1ccc(cc1)n1ncc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320199319,MCULE-3188858808	335.403	KXHIEHGJSNRVHK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088485
Cc1cc(C)c(c2cc(NC(=O)c3n[nH]c4c3CCC4)n[nH]2)cc1C	ZINC22_617357308,EMOLS-id_313147479,MCULE-9751192002	335.403	HSBBTQJHXLFJGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088486
Cc1cc(C)cc(c1)n1nc(cc1C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98910194	335.403	CNSIALKYMPQDID-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088487
Cc1ccc(n2nc(C(=O)Nc3c4c(nn3C)CCC4)cc2C)cc1	MCULE-5248311248,ZINC22_272089062,EMOLS-id_316808608	335.403	UPRIISLHUBOENW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088488
Cc1cc(C)n(c2ccc(C(=O)NCc3n[nH]c4c3CCC4)cc2)n1	EMOLS-id_32426624,PC-id_50979081,MCULE-2656906436,ZINC22_67910203	335.403	RHDYCZORXOXLPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088489
Cc1cc(n2cccc2)ccc1C(=O)NCCc1nnc2n1CCC2	ZINC22_95350948,PC-id_75369673,EMOLS-id_48229643,MCULE-7673390086	335.403	VLYFQASUGSCUQS-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-088490
CCc1c(cnn1c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320220848,MCULE-1527181143	335.403	FSPIZUPKLWFZDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088491
CCc1c(cnn1c1ccccc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318912358	335.403	KRDQHRMZYWKTNS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088492
CCn1cc(c(n1)c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319315221	335.403	LJFJQRSWNSMHFW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088493
CCn1ncc(c1c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318828588	335.403	YNXNLVPYGQUAJB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088494
CCn1ncc(c1c1ccccc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318901138	335.403	UWZSUENQLWVJGZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088495
Cn1ccnc1C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_97218364,ZINC22_95403675	335.403	RXNFDULWWQYBKO-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088496
Cn1ccnc1C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_95403674,PC-id_97218363	335.403	RXNFDULWWQYBKO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088497
Cn1ncc(c1)c1cc(ccc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318863098	335.403	YWMXNZUNSYONMX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088498
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319377547	335.403	VIHXXRZPCJKLBK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088499
CN(Cc1ccc(Cn2ccnc2)cc1)C(=O)[C@H]1Cc2nccn2C1	ZINC22_2325797331	335.403	APQUSASGRQMPCY-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088500
CN(Cc1ccc(Cn2ccnc2)cc1)C(=O)[C@@H]1Cc2nccn2C1	ZINC22_2325797332	335.403	APQUSASGRQMPCY-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088501
CN(C)/C=N/c1c(C#N)n2CCCc2c1C(=O)NCc1ccccc1	EMOLS-id_233045946,CoCoCo_732918,ZINC22_15724584,PC-id_5347115	335.403	CJMUIWIHVOIVLC-LPYMAVHISA-N	00000010100000110000000010000000000000000000000000000000	25-01-088502
COc1ccccc1C(c1ccccn1)NC1CC(n2c1ncn2)C	MCULE-6854030846,EMOLS-id_320102480	335.403	KRSNXXVUDNIUSS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-088503
N#Cc1ccc(cc1)N1CCCC1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318976446	335.403	DWBVRPCNQWPJNX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088504
N#Cc1ccc(cc1)N1CCCC1C(=O)NCc1n[nH]c2c1CCC2	MCULE-9303376736,EMOLS-id_319857371	335.403	AACSLUSZGPXYPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088505
N#Cc1ccc(cc1)N1CCCC(C1=O)NC1CC(n2c1ncc2)C	MCULE-5650850510,EMOLS-id_318563924	335.403	FUQSFKDQLBYZFG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-088506
N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCc3c[nH]nc23)CC1	ZINC22_2325766253	335.403	JXKHLKFAPMEIDV-INIZCTEOSA-N	00000010100000110101100010000000000000000000000000000000	25-01-088507
N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCc3c[nH]nc23)CC1	ZINC22_2325766254	335.403	JXKHLKFAPMEIDV-MRXNPFEDSA-N	00000010100000110101100010000000000000000000000000000000	25-01-088508
N#Cc1c(/N=CN(C)C)c(c2n1CCC2)C(=O)NCc1ccccc1	CoCoCo_732919	335.403	CJMUIWIHVOIVLC-XKZIYDEJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088509
NS(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100182669	335.403	QLXJCEFCZUMTSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088510
O=C(c1cc(n(c1C)c1cccnc1)C)NCc1cnc2n1CCC2	EMOLS-id_319065910	335.403	ASPFTRPBCKKEMX-UHFFFAOYSA-N	00000010110000101001100010000000000000000000000000000000	25-01-088511
O=C(c1cc(n(c1C)c1cccnc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320263749,MCULE-5138531275	335.403	KDAABUMCEWOGTJ-UHFFFAOYSA-N	00000010110000101001100010000000000000000000000000000000	25-01-088512
O=C(c1c(C)nn(c1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319434224	335.403	PXRANEKKVLXXPG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088513
O=C(c1cnn(c1C)c1ccccc1C)NCc1cnc2n1CCC2	EMOLS-id_319157923	335.403	JQTYVVVJSRFJHS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088514
O=C(c1cnn(c1Cc1ccccc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320255927,MCULE-9071024987	335.403	KAPDJAWUDBMCHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088515
O=C(c1cnn(c1C)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319722404	335.403	QPQJUOJLSQOJMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088516
O=C(c1cnn(c1C)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318817161	335.403	ZJSKVNUCIJLQAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088517
O=C(c1n[nH]c2c1CC(C2)(C)C)Nc1cnn(c1)Cc1ccccc1	SCHEMBL16765315,PC-id_73292748	335.403	CRRPNPGNUNDKSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088518
O=C(c1n[nH]c2c1CCC2)NC(c1ccccc1)Cc1nccn1C	EMOLS-id_48243683,MCULE-3610796931,PC-id_75374500	335.403	RXNFDULWWQYBKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088519
O=C(c1n[nH]c(c1)C(c1ccccc1)C)NCc1cnc2n1CCC2	EMOLS-id_319357063	335.403	MAQHNROJEOHTEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088520
O=C(CCc1ccc(c2ccccc2)[nH]1)NCc1nnc2n1CCC2	PC-id_53528508,ZINC22_69536701,EMOLS-id_36277031,MCULE-2344985874	335.403	VLOCTDTWXVJBLU-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-088521
O=C(Cn1nc(c(c1)c1ccccc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320326749,MCULE-7357475355	335.403	XDPUQVZVKNSXLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088522
O=C(NCc1n2CCCc2nn1)c1ccc(n2c(ccc2C)C)cc1	PC-id_52375824	335.403	NDZHXLMGNXRDQZ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-088523
O=C(NCc1nnc2n1CCC2)c1cccn1CCc1ccccc1	MCULE-9354818986,PC-id_53566982,ZINC22_69454767,EMOLS-id_36295525	335.403	YRGVUKBWVHTLFQ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-088524
O=C(N(Cc1n[nH]c2c1CCC2)C)Cn1c(ncc1)c1ccccc1	PC-id_50978272	335.403	FTHDHFCWAYTPJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088525
CCOC(=O)N1CCN(CC1)C(=NC)NCc1nnc2n1CCC2	PC-id_111162598	335.405	LSBOGAXXNYJVKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088526
N#Cc1c(NC(=O)Cn2c(=O)sc(c2C)C)nc2n1CCS2	EMOLS-id_99349267	335.405	FMURVMAJJDUNLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088527
Cc1ccc(c2ccnc(NC[C@@H]3Cc4nnc(C)n4C3)n2)c(C)n1	ZINC22_1772710400	335.406	AFJWEHBQBXMEKK-AWEZNQCLSA-N	00000010100000101001100010000000000000000000000000000000	25-01-088528
Cc1ccc(c2ccnc(NC[C@H]3Cc4nnc(C)n4C3)n2)c(C)n1	ZINC22_1772710411	335.406	AFJWEHBQBXMEKK-CQSZACIVSA-N	00000010100000101001100010000000000000000000000000000000	25-01-088529
Cc1nnc2CC(CNc3nccc(n3)c3ccc(C)nc3C)Cn12	EMOLS-id_317521050,PC-id_137339714,MCULE-2925678569	335.406	AFJWEHBQBXMEKK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-088530
CN(C)c1ccc(c2ccnc(NCc3nnc4n3CCC4)n2)cc1	ZINC22_2356135899,EMOLS-id_337759735,MCULE-7341252329	335.406	XSHVOXSITWCBEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088531
COCC(N1Cc2c(C1)c(n[nH]2)CO)CCC[C@H]1CC=CC=C1F	PC-id_144148242	335.416	YLMRLAALLFNCON-KWCCSABGSA-N	00000010100011000001000010000000000000000000000000000000	25-01-088532
C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)c2ccccc2F)c2nccn12	ZINC22_297918920	335.418	XBNUKCMTYGUGJO-CDHQVMDDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088533
C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)c2ccccc2F)c2nccn12	ZINC22_297918931	335.418	XBNUKCMTYGUGJO-UIAACRFSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088534
C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)c2ccccc2F)c2nccn12	ZINC22_297918938	335.418	XBNUKCMTYGUGJO-XPGWFJOJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088535
s1c2CCCc2cc1C(=O)OC(C(=O)NC1C(CCCC1)C)C	PC-id_45637952	335.461	BPNBXUMCBGGXNK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088661
C[C@@H]1C[C@H](N[C@H](Cc2ccccc2)c2ccccc2F)c2nccn12	ZINC22_297918947	335.418	XBNUKCMTYGUGJO-YSGRDPCXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088536
CCOC(=O)c1c(NC(=O)C2CCC(=O)CC2)sc2CCCc12	EMOLS-id_327916007,MCULE-8667222225	335.418	KZUMVJSZPXEEQP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088537
O=C(Nc1ccccc1Oc1ccccc1)c1cc2c(s1)CCC2	PC-id_2348573,MCULE-8213162564,CoCoCo_3195320,EMOLS-id_2984546,ZINC22_3230506	335.419	AQCXNNBAGDWYKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088538
s1c2[C@H](OC(=O)c3ccccc3)C[C@H](N(CC#C)CC#C)c2cc1	PC-id_52915734	335.419	QMFZCQUKBALUPZ-ZWKOTPCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088539
s1c2[C@@H](OC(=O)c3ccccc3)C[C@H](N(CC#C)CC#C)c2cc1	PC-id_52915735	335.419	QMFZCQUKBALUPZ-ROUUACIJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088540
s1c2C(OC(=O)c3ccccc3)CC(N(CC#C)CC#C)c2cc1	PC-id_75952631	335.419	QMFZCQUKBALUPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088541
C#CCOc1ccc(c(c1)N=c1snc2n1CC(S2)(C)C)F	PC-id_101659654	335.42	DZRIRFRFBBFUBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088542
FC1(CCN(C2CCC2)CC1)C(=O)N1C(c2[nH]nc(N)c2C1)(C)C	SCHEMBL2671821,PC-id_67491700	335.42	AMFYZXJEKOYYTH-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-088543
s1c2CCCc2cc1C(=O)NNC(=S)Nc1ccc(F)cc1	PC-id_8745970	335.42	QZEYJJHCUJXEEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088544
c1(NC(=O)C2CCN(CC2)C(=O)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_2324938,ChEMBL-DNDi_CHEMBL9044574,ZINC22_6699732,CoCoCo_1044172,MCULE-9014069478,PC-id_6465449	335.421	WBRBIYXLZUBIJP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088545
CC(C)CN(c1cc(ccc1)O)S(=O)(=O)c1cnc2n1CCC2	PC-id_136534341,EMOLS-id_316897102	335.421	ZDQWNNUCUASZCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088546
CC(C)(C)OC(=O)NCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-6919737523,EMOLS-id_327815416	335.421	ZIWAFTXNXRBHGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088547
CC(C)N(Cc1cc2c(s1)CCC2)C(=O)C[C@H]1NC(=O)NC1=O	PC-id_94650716,ZINC22_56464946	335.421	AWBOIECEKKXREE-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088548
CC(C)N(Cc1cc2c(s1)CCC2)C(=O)C[C@@H]1NC(=O)NC1=O	PC-id_94650717,ZINC22_56464947	335.421	AWBOIECEKKXREE-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088549
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327894932,MCULE-9578209260	335.421	IZZRHQLXLDBXDB-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-088550
CC(Oc1ccc(cc1C)S(=O)(=O)N1Cc2c(C1)cnn2C)C	EMOLS-id_316411399,MCULE-4443953623	335.421	XMNFEGFDIVVJPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088551
Cn1nc(CN(Cc2ccco2)S(=O)(=O)C2CC2)c2c1CCC2	MCULE-3744734969,PC-id_86266557,ZINC22_217907301,EMOLS-id_50145286	335.421	GKVGYBOLZJNNDK-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-088552
COc1ccc(c(c1C)C)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319257849	335.421	DBYCCPORHIALAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088553
COc1c(C)cc(cc1C)S(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-7306047182,EMOLS-id_320292735	335.421	WTKOESRUYWMWPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088554
COc1cc(C)cc(c1S(=O)(=O)NCc1n[nH]c2c1CCC2)C	MCULE-4490465996,EMOLS-id_320017922	335.421	ZFKIVTQGMWABOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088555
COC(CS(=O)(=O)N1Cc2c(C1)cnn2C)Cc1ccccc1	EMOLS-id_316614733	335.421	QHTJCZRDMXRIHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088556
O=C1NC(C(=O)N1)CC(=O)N(C(C)C)Cc1sc2c(c1)CCC2	EMOLS-id_49329322,MCULE-8960588111,PC-id_75526250	335.421	AWBOIECEKKXREE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088557
O=C(N1CC(C1)NC1COC1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319498642	335.421	VIWUANSRIPRLOR-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-088558
s1c2CCCc2cc1C(=O)NNC(=O)CN1CCCCCC1=O	PC-id_9185759	335.421	QXPOUEWRGSFNTC-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088559
c1(C(=O)Nc2ccccc2Sc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_335097946,MCULE-9135698921	335.423	HIDYALDTLWXCNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088560
c1(NC(=O)c2ccc(cc2)c2ccccc2)n(C)nc2CSCc12	MCULE-9621375549,EMOLS-id_334562996	335.423	KMYWEHUMLAZYEX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088561
Cc1nc(c2ccccc2)ccc1C(=O)Nc1nc2c(s1)CCC2	PC-id_53536524,EMOLS-id_36624893,MCULE-1821644683,ZINC22_57817372	335.423	FSGADCHGBLZTJN-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-088562
Cc1nccc(c2cccc(NC(=O)c3cc4c(s3)CCC4)c2)n1	PC-id_40306971,MCULE-7507451691,CoCoCo_4826519,ZINC22_33125113,EMOLS-id_44093582	335.423	NVZRTNIAMZKOJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088563
n12nc(nc1sc(=CC1CCC=CC1)c2=O)C=Cc1ccccc1	MCULE-5273606844	335.423	FLJZECRLHBEHHV-UHFFFAOYSA-N	00000000100011110001000010000000000000000000000000000000	25-01-088564
c1(NC(=O)c2cn(nc2OC)C)c2CSCc2nn1C(C)(C)C	MCULE-4809488392,PC-id_49671178,EMOLS-id_30763390,ZINC22_42379374	335.425	PEFHBIQCRUZRBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088565
CC1CC(c2n1ccn2)NS(=O)(=O)c1cnn(c1)C1CCCC1	EMOLS-id_319575611	335.425	GBJUVCBOPLJZBR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088566
CC1CC(c2n1ccn2)NS(=O)(=O)c1cnn(c1)CC1CCC1	EMOLS-id_319834234,MCULE-6717242331	335.425	DPCMAGSNCXBJOX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-088567
Cc1c(cnn1C1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100934292	335.425	BYQQRZDDCCKDGP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088568
Cc1n[nH]c(c1)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100244635	335.425	QKNBKFKISQZTCQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088569
Cn1nccc1[C@@H](O)CNC(=O)Nc1nc2c(s1)CCC2(C)C	ZINC22_931775338	335.425	WUXDBSKCNVWEHZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-088570
Cn1nccc1[C@H](O)CNC(=O)Nc1nc2c(s1)CCC2(C)C	ZINC22_931775339	335.425	WUXDBSKCNVWEHZ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088571
Cn1nc(cc1NS(=O)(=O)c1cnc2n1CCC2)C1CCCC1	EMOLS-id_97700498	335.425	UDMILOQNXQAUSC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088572
OCCNC(=O)Cn1ncc(c1)NC(c1sc2c(n1)CCC2)C	PC-id_110017398	335.425	KEFYCZMGXASUTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088573
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(c1ccnn1C)O	EMOLS-id_316327572,MCULE-2007621521	335.425	WUXDBSKCNVWEHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088574
O=C(NC(c1noc(n1)C)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002022	335.425	VWNLBFASWCZWKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088575
O=C(NC(c1onc(n1)C)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008931	335.425	DSUBOPFUJZPCTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088576
O=C(NCC(c1cscc1)(O)C)NCCc1nnc2n1CCC2	PC-id_112046032	335.425	NTRQRCPTRKQIGN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-088577
O=S(=O)(c1cnc2n1CCC2)Nc1n[nH]c(c1)C1CCCCC1	EMOLS-id_97705280	335.425	CVQOBMSUGOEPIM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088578
O=S(=O)(c1cnn(c1)C1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319864000,MCULE-2895863892	335.425	XEXFVHGYOLZBIC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088579
c1(CN(C)C(=O)NCc2cn3c(SCC3)n2)nncn1C(C)C	MCULE-2283402553,PC-id_119073356,EMOLS-id_82739477,ZINC22_426689947	335.428	SVYXDZWMZRQVGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088580
CCCCc1nnc(NC(=O)NCCc2nnc3n2CCC3)s1	EMOLS-id_45663885,MCULE-6668508990,ZINC22_86280778,PC-id_71922305	335.428	FJWFTCKQPQMCSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088581
CCCC(C)c1nnc(NC(=O)NCc2nnc3CCCn23)s1	MCULE-6026497142,EMOLS-id_23819202,PC-id_45211618	335.428	KKMGBCKZRPIIIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088582
CCC[C@H](C)c1nnc(NC(=O)NCc2nnc3n2CCC3)s1	CoCoCo_1386763,PC-id_28079220,ZINC22_19148173	335.428	KKMGBCKZRPIIIE-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-088583
CCC[C@@H](C)c1nnc(NC(=O)NCc2nnc3n2CCC3)s1	CoCoCo_1386764,ZINC22_19148170,PC-id_28079219	335.428	KKMGBCKZRPIIIE-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088584
CN(C)c1nc(CNC(=O)NCCc2nnc3n2CCC3)cs1	EMOLS-id_45664033,ZINC22_86426498,MCULE-8980611459,PC-id_71922232	335.428	KEHBHNUAPJTBRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088585
c12CN(Cc1nn(CC1CCCCC1)c2CO)C(=O)OC(C)(C)C	MCULE-6724156008,EMOLS-id_324349291	335.441	SRGCYMHZXOWIPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088586
c1(sccc1C)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327985708,MCULE-7635869250	335.441	PNLYAILUPGVTBW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088587
Cc1ccc(CCNC(=O)c2cc3CS(=O)(=O)Cc3s2)cc1	EMOLS-id_16064909,PC-id_20882725,MCULE-9228703270,CoCoCo_2175351	335.441	IHSNBSZMTNLJNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088588
CC(C(=O)NCc1cccs1)OC(=O)c1sc2c(c1)CCC2	EMOLS-id_25025031,MCULE-9459236128,PC-id_45836057	335.441	SLMRWUBMFKFHHG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088589
C[C@H](c1ccccc1)CNC(=O)c1sc2c(c1)CS(=O)(=O)C2	PC-id_92252516,CoCoCo_2175360	335.441	MLTHAJLWAIBHDD-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-088590
C[C@@H](c1ccccc1)CNC(=O)c1sc2c(c1)CS(=O)(=O)C2	PC-id_92252517,CoCoCo_2175359	335.441	MLTHAJLWAIBHDD-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088591
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCc1cccs1	ZINC22_7258104,CoCoCo_4174576,PC-id_8359414	335.441	SLMRWUBMFKFHHG-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-088592
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCc1cccs1	ZINC22_7258113,PC-id_8359422,CoCoCo_4174577	335.441	SLMRWUBMFKFHHG-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088593
CCOC(=O)c1c2c(CCC2)sc1NC(=O)Cc1sccc1	PC-id_2110851,MCULE-9994074026,ZINC22_2647772,EMOLS-id_3218651,CoCoCo_3268289	335.441	MKDUEUZFDBILHE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088594
CCOC(=O)c1c(NC(=O)c2ccc(C)s2)sc2CCCc12	EMOLS-id_327923137,MCULE-8504611787	335.441	HZTFWWVCDJPMKT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088595
CCS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_95348591,EMOLS-id_48209900,MCULE-6192148860,PC-id_75413718	335.441	MGWGLKRFRIINOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088596
CN(C(=O)c1cc2c(s1)CCC2)S(=O)(=O)Cc1ccccc1	MCULE-6233978220,EMOLS-id_44536166,PC-id_71892015,ZINC22_83843849	335.441	CJFVWSUYVHSKCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088597
COC(=O)CC(c1cccs1)NC(=O)c1sc2c(c1)CCC2	PC-id_47019305,EMOLS-id_30649137,MCULE-8039140726	335.441	POFSAZFOZQJKLS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088598
O=C(c1sc2c(c1)CCC2)Oc1cccc(c1)N=S(=O)(C)C	EMOLS-id_316491175	335.441	HFFGBINNJLDNNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088599
O=C(NCCCc1ccccc1)c1cc2CS(=O)(=O)Cc2s1	PC-id_20882722,CoCoCo_2175346,MCULE-7908667375,EMOLS-id_16064903	335.441	JPKRFNVSSHFOLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088600
s1c2CCCc2cc1C(=O)N[C@H](CC(=O)OC)c1sccc1	PC-id_31827068	335.441	POFSAZFOZQJKLS-LLVKDONJSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088601
s1c2CCCc2cc1C(=O)N[C@@H](CC(=O)OC)c1sccc1	PC-id_31827070	335.441	POFSAZFOZQJKLS-NSHDSACASA-N	00000010100100000000000010000000000000000000000000000000	25-01-088602
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1sccc1)C	PC-id_16505609	335.441	XUOJUUDOBAYGGB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088603
s1c2CCCc2cc1C(=O)OCC(=O)NCCc1sccc1	PC-id_8948162	335.441	BAAMSDQVAKFBHI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088604
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](c1sccc1)C	PC-id_7291842	335.441	XUOJUUDOBAYGGB-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-088605
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](c1sccc1)C	PC-id_7291843	335.441	XUOJUUDOBAYGGB-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-088606
S1(=O)(=O)Cc2c(sc(c2)C(=O)NCC(c2ccccc2)C)C1	PC-id_20882729	335.441	MLTHAJLWAIBHDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088607
O=C(c1n[nH]c2c1CCC2)N1CCCCCC1C=Cc1ccccc1	EMOLS-id_317980824	335.443	XYXJRIOJRBSOJB-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-088608
c12SCCn1cc(CNC(=O)CSc1cccc(OC)c1)n2	EMOLS-id_232855218,ZINC22_824788042,MCULE-6167525028	335.444	ZQXFDTLZPPLYFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088609
c1(NC(=O)C2CSC(C)(C)N2C=O)sc2c(CCC2)c1C#N	MCULE-1388553087,PC-id_19204781	335.444	GEVGJYXPKFFRIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088610
c1(NC(=O)c2sc(nc2C)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334332113,MCULE-5201440582	335.444	OKHYMWQFKSWGHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088611
CC1CN(CCN1C(=O)NC1CC(n2c1ncc2)C)CC(O)(C)C	EMOLS-id_101420460	335.444	RGJGTYQESCOCCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088612
CCC1(CC)[C@@H](N(C)C(=O)NCc2nnc3n2CCC3)C[C@H]1OC	ZINC22_95419113,PC-id_97228975	335.444	KSYRVNNBFYGQNF-QWHCGFSZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-088613
CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)NCc1nnc2n1CCC2	PC-id_97228972,ZINC22_95419110	335.444	KSYRVNNBFYGQNF-OLZOCXBDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-088614
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCc1nnc2n1CCC2	ZINC22_95419111,PC-id_97228973	335.444	KSYRVNNBFYGQNF-STQMWFEESA-N	00001010100000000001000010000000000000000000000000000000	25-01-088615
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NCc1nnc2n1CCC2	ZINC22_95419112,PC-id_97228974	335.444	KSYRVNNBFYGQNF-CHWSQXEVSA-N	00001010100000000001000010000000000000000000000000000000	25-01-088616
CC(C)(C)OC(=O)N1CCC(CNCc2nnc3n2CCC3)CC1	EMOLS-id_45671425,ZINC22_89661954,PC-id_71918571,MCULE-4044638829	335.444	JZFWWHNGFBFAEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088617
C[C@@H]1O[C@H](C)CN(C1)CCN(C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101574882	335.444	WEKCTUWFZPFIIQ-HFDVOGEKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088618
CCOC1CC(C1)(CNC1CC(n2c1ncn2)C)N1CCOCC1	EMOLS-id_258183861,MCULE-2291973677	335.444	JVANYFZTPIDESE-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-088619
CCOC1CCN(CC1)C(=O)NC(c1nnc2n1CCC2)C(C)C	PC-id_72020820,MCULE-8172080764,EMOLS-id_49005342	335.444	AEBGTXGPWXCHHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088620
CCOC1CCN(C(=O)N[C@H](c2nnc3n2CCC3)C(C)C)CC1	PC-id_96484649,ZINC22_78663622	335.444	AEBGTXGPWXCHHS-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088621
CCOC1CCN(C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)CC1	ZINC22_78663618,PC-id_96484648	335.444	AEBGTXGPWXCHHS-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088622
COC1CC(C1(CC)CC)N(C(=O)NCc1nnc2n1CCC2)C	MCULE-3705297767,PC-id_75382344,EMOLS-id_48265417	335.444	KSYRVNNBFYGQNF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-088623
COCC(N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_102198781	335.444	BABHJAFZPOYSES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088624
O=C(c1sc2c(c1)CCC2)Nc1nnc(s1)C1CCOCC1	EMOLS-id_99255775	335.444	ONEULEKDWSXXDH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088625
OCCC(C1CCCCC1)NC(=O)NCCc1nnc2n1CCC2	PC-id_112332578	335.444	CUGOESHSUNKNTF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088626
O=C(N1CCN(C(C1)C)CC(O)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101574939	335.444	CKUNJDMRIHAXSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088627
O=C(NC(c1nnc2n1CCC2)C)NC1CCOC(C1)C(C)(C)C	EMOLS-id_98274555	335.444	LMHNCJIOGNULCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088628
O=C(NC(c1nnc2n1CCC2)C)NCC1CCCOC1C(C)C	EMOLS-id_100548009	335.444	BTJGBJBRDCVGKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088629
O=C(N(CCN1CCOC(C1)(C)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101574879	335.444	XJDVLJVMKASLAQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088630
O=C(NCCOC1CCCCCC1)NCCc1nnc2n1CCC2	EMOLS-id_48254535,PC-id_75378351,ZINC22_86400979,MCULE-8408936319	335.444	YEAQVHJZALZUJG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088631
s1c2c(CCC2)c(c1NC(=O)CC[NH+](CC(=O)N(C)C)C)C#N	PC-id_52370869	335.444	QWABJDFUSCYRKS-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-088632
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)C)C#N	PC-id_9049358	335.444	XMRXACUCKAHHJM-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-088633
s1c2CCCc2nc1NC(=O)CCCNC(=O)c1ccsc1	PC-id_33040122	335.444	SCQDHPACYRGFQK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-088634
s1c2CCCc2nc1NC(=O)CCCNC(=O)c1sccc1	PC-id_33039948	335.444	CHENBTDLIUOYRX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-088635
s1c2CCCc2nc1NC(=O)CC(NC(=O)C)c1sccc1	PC-id_46565005	335.444	KCSRPYWJWNCYEH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-088636
s1c(C2OCCC2)ccc1C(=O)NCc1nc2SCCn2c1	PC-id_50980064	335.444	YRZIICUNHRGCFX-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-088637
Cc1ccc(c(c1)n1ncc(c1C)NC(c1nn2c(c1)CCC2)C)C	MCULE-3821712537,EMOLS-id_316823560	335.446	KXOKKFITBNSWLJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088638
Cc1ccc(C)c(n2ncc(N[C@@H](C)c3cc4n(n3)CCC4)c2C)c1	ZINC22_414108004	335.446	KXOKKFITBNSWLJ-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088639
Cc1ccc(C)c(n2ncc(N[C@H](C)c3cc4n(n3)CCC4)c2C)c1	ZINC22_414108006	335.446	KXOKKFITBNSWLJ-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088640
CCCC(C)c1c(ncn1Cc1nnc2CCCn12)c1ccccc1	PC-id_50966960,MCULE-5087304655,EMOLS-id_32403798	335.446	ZGHBPTJPJABHPO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088641
CCC[C@H](C)c1c(c2ccccc2)ncn1Cc1nnc2n1CCC2	PC-id_95129470,ZINC22_65409886	335.446	ZGHBPTJPJABHPO-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088642
CCC[C@@H](C)c1c(c2ccccc2)ncn1Cc1nnc2n1CCC2	ZINC22_65409885,PC-id_95129469	335.446	ZGHBPTJPJABHPO-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088643
CCNC(=NCc1nnc2n1CCC2)NCCCN1CCOCC1	PC-id_110972887	335.448	XIXSMJWKUQRTBK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088644
CCNC(=NCc1nnc2n1CCC2)NCCC(=O)N(CC)CC	PC-id_111020125	335.448	LFXFUZMLZSFDJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088645
CCNC(=NCc1nnc2n1CCC2)NCC(N1CCOCC1)C	PC-id_111020131	335.448	UZIOEPHWOLRWIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088646
CCNC(=NCc1nnc2n1CCC2)N(CC(=O)N(CC)CC)C	PC-id_111010381	335.448	VHVHSVLGQCNQHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088647
CN=C(NCc1nnc2n1CCC2)NCC(N1CCOCC1)(C)C	PC-id_111020379	335.448	RBPSHRBXRWZKMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088648
Nc1nsc(n1)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_111269238	335.448	BAKPJPQGFRRYFE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088649
O=C(c1cnc(s1)NC1CC1)NCCc1cn2c(n1)SCC2	EMOLS-id_278779202	335.448	JGBAQTILQVTQTC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-088650
s1c2CCCc2cc1C(=O)NCCSCc1c(F)cccc1	PC-id_9365604	335.459	LVYZHQPINZBLRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088651
c1(C(=O)OC)c2CCCc2sc1NC(=O)CCC1CCCCC1	ZINC22_6126353,MCULE-7117080834,EMOLS-id_4015864,CoCoCo_6821414,TIMTEC578154,PC-id_4416764	335.461	YQRHDIADGKGMJS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088652
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CCC1CCCC1	CoCoCo_3268298,ZINC22_2641139,MCULE-4735358724,EMOLS-id_3212280,PC-id_2104027	335.461	BBZIYVYLCGNZMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088653
CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCC2	ZINC22_130650,MCULE-9930097232,CK1420208,PC-id_724409,SCHEMBL4084162	335.461	BOCFMWMEGUBJFG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-088654
CCOC(=O)c1c(NC(=O)C2CCCCC2C)sc2CCCc12	EMOLS-id_328218446,MCULE-7786601648	335.461	BEEYABSTKRNFRR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088655
CCOC(=O)c1c(NC(=O)C2CCCC(C)C2)sc2CCCc12	EMOLS-id_328228922,MCULE-1933086226	335.461	KLVOCCQCONHLLP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088656
CCOC(=O)c1c(NC(=O)C2CCC(C)CC2)sc2CCCc12	MCULE-2681540737,EMOLS-id_328243507	335.461	NOIAGPYDHSOVTL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088657
CCOC(=O)c1c(NC(=O)CC2CCCCC2)sc2CCCc12	EMOLS-id_327787690,MCULE-5008762575	335.461	OQAGQDOAZIJCQJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088658
OCC1(CCOCC1)C(C1CC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319237245	335.461	IIIFHAVWWGDCDV-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-088659
s1c2CCCc2cc1C(=O)OCC(=O)NC1C(C(CCC1)C)C	PC-id_3938323	335.461	VEOCZUDYLGMUBB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088660
s1c2CCCc2cc1C(=O)OC(C(=O)NC1CCCCCC1)C	PC-id_78674849	335.461	YOMHJGGHNXEEPM-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088662
s1c2CCCc2cc1C(=O)OCC(=O)NC1CCCCCCC1	PC-id_4000918	335.461	JEEVIOZANLXNQA-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088663
s1c2CCCc2cc1C(=O)OC(C(=O)NCC1CCCCC1)C	PC-id_45637945	335.461	OOBJRKRCGRIKSL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088664
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H]1[C@@H]([C@@H](CCC1)C)C	PC-id_11894095	335.461	VEOCZUDYLGMUBB-BZPMIXESSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088665
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H]1[C@@H]([C@H](CCC1)C)C	PC-id_11894096	335.461	VEOCZUDYLGMUBB-SCRDCRAPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088666
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H]1[C@@H]([C@@H](CCC1)C)C	PC-id_11894097	335.461	VEOCZUDYLGMUBB-YRGRVCCFSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088667
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H]1[C@@H]([C@H](CCC1)C)C	PC-id_11894098	335.461	VEOCZUDYLGMUBB-OUCADQQQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088668
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NC1CCCCCC1)C	PC-id_8359224	335.461	YOMHJGGHNXEEPM-LBPRGKRZSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088669
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NC1CCCCCC1)C	PC-id_8359225	335.461	YOMHJGGHNXEEPM-GFCCVEGCSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088670
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@H]1[C@@H](CCCC1)C)C	PC-id_7623771	335.461	BPNBXUMCBGGXNK-YRGRVCCFSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088671
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@H]1[C@H](CCCC1)C)C	PC-id_7623773	335.461	BPNBXUMCBGGXNK-OUCADQQQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088672
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@@H]1[C@@H](CCCC1)C)C	PC-id_7623774	335.461	BPNBXUMCBGGXNK-BZPMIXESSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088673
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@@H]1[C@H](CCCC1)C)C	PC-id_7623775	335.461	BPNBXUMCBGGXNK-SCRDCRAPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088674
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C	PC-id_614362	335.461	WWMSJSSCKZCUGJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088675
CC1CCCN(C1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-5000754818,PC-id_17447746,EMOLS-id_13471118	335.464	ANGDBJSVKMWXRC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088676
CC1OC(CN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C1CC1	EMOLS-id_102008817	335.464	FCGAADUCGBWXCZ-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-088677
CC(C)CN1CC(CC1=O)C(=O)NCCc1nc2CCCc2s1	PC-id_50960805,EMOLS-id_32392202,MCULE-8406449182	335.464	CVJLABLKOMFJNJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088678
CC(C)CN1C[C@H](C(=O)NCCc2nc3c(s2)CCC3)CC1=O	PC-id_95125788,ZINC22_65397056	335.464	CVJLABLKOMFJNJ-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088679
CC(C)CN1C[C@@H](C(=O)NCCc2nc3c(s2)CCC3)CC1=O	PC-id_95125789,ZINC22_65397057	335.464	CVJLABLKOMFJNJ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088680
CCCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CCO	PC-id_110935814	335.464	FUZCVHUSFNOMGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088681
CC(C)N(Cc1cc2c(s1)CCC2)C(=O)CNC(=O)NC1CC1	EMOLS-id_48221292,MCULE-5869306272,PC-id_75405166,ZINC22_56465121	335.464	DNXHVLGWWBQMIQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-088682
CCC(=O)N1Cc2c(C1)nc(s2)OC1CCN(CC1)C1CCC1	PC-id_56848525,SCHEMBL168095	335.464	FOSHPMOCJYMEPU-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-088683
CCC(=O)N1CCc2c1sc(n2)OC1CCN(CC1)C1CCC1	SCHEMBL12474141,PC-id_56848526	335.464	WQNZHBVKEXLBOK-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-088684
CCC(=O)N1CCCCC1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180213	335.464	PWBQSXXFGZZYGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088685
C[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)C1	CoCoCo_4223810,ZINC22_103426827,CoCoCo_4223812,PC-id_98444327	335.464	ANGDBJSVKMWXRC-WDEREUQCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088686
C[C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)C1	PC-id_51724301,CoCoCo_4223813,ZINC22_36389899,CoCoCo_4223811	335.464	ANGDBJSVKMWXRC-GHMZBOCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088687
C[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)C1	ZINC22_8142718,CoCoCo_4223806,PC-id_9275619,CoCoCo_4223808	335.464	ANGDBJSVKMWXRC-QWRGUYRKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088688
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@@H](C)C1	CoCoCo_4223807,CoCoCo_4223809,ZINC22_8142717,PC-id_9275617	335.464	ANGDBJSVKMWXRC-MNOVXSKESA-N	00000010100010000000000010000000000000000000000000000000	25-01-088689
CCN1CCC[C@@H](C1)NC(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_320202430,MCULE-7904423536	335.464	NGZHWLMWFSTAHU-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088690
CCN(CC(O)(C)C)CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_111336117	335.464	BVGNXHJGCOCHLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088691
n1c2CCCc2sc1CN1CCCC(C1)C(=O)N1CCOCC1	MCULE-7505146522,EMOLS-id_337701877	335.464	IOSFPGQFCDDLPC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088692
n1c2CCCc2sc1CN1CCOC(C(=O)N2CCCCC2)C1	PC-id_146077902,EMOLS-id_323967665,MCULE-8414661992	335.464	FSGARGYHOQBWFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088693
N#Cc1c(NC(=O)CCN(C(C)C)CC(O)C)sc2c1CCC2	PC-id_111108132	335.464	BAEVITCOYQVGOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088694
NCCC(=O)NCC1CCCCN1C(=O)c1sc2c(c1)CCC2	PC-id_120578899,MCULE-7185131979,EMOLS-id_302358733	335.464	CEGAKJCEAHSCIC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088695
O[C@]1(CCCN(C1=O)CC(C)(C)C)C[NH2+]Cc1n[nH]c2c1CCC2	PC-id_42453821	335.464	RXNQOCSOWPPRPR-GOSISDBHSA-O	00000010100010000001000010000000000000000000000000000000	25-01-088696
O[C@@]1(CCCN(C1=O)CC(C)(C)C)C[NH2+]Cc1n[nH]c2c1CCC2	PC-id_42453828	335.464	RXNQOCSOWPPRPR-SFHVURJKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-088697
OC1(CCCN(C1=O)CC(C)(C)C)C[NH2+]Cc1n[nH]c2c1CCC2	PC-id_74804530	335.464	RXNQOCSOWPPRPR-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-088698
O=C(C1CCC(CC1)N1CCOCC1)Nc1sc2c(n1)CCC2	EMOLS-id_278498280	335.464	QBRZAXGSIWRTJK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088699
O=C([C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1)N1CCOCC1	ZINC22_678811910	335.464	IOSFPGQFCDDLPC-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088700
O=C([C@H]1CCCN(Cc2nc3c(s2)CCC3)C1)N1CCOCC1	ZINC22_678811911	335.464	IOSFPGQFCDDLPC-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088701
O=C([C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCCCC1	ZINC22_1888890539	335.464	FSGARGYHOQBWFW-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088702
O=C([C@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCCCC1	ZINC22_1888890540	335.464	FSGARGYHOQBWFW-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088703
O=C(CN1CCCCCCC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180201	335.464	LSQRYXYEQOOOPP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088704
O=C(C(NC(=O)C1CCCC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181911	335.464	ZUWUTEWWMRGFAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088705
O=C(N1CCCC1C1CCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008928	335.464	YUEKGXYMWVQYIZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088706
O=C(N1CCC(C1)C1COCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005565	335.464	AOVQJQJAZYCQKO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088707
O=C(N1CCC(C1)(C)N(C)C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319812256	335.464	KSGIFAMVNMVHEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088708
O=C(N1CCN=C(C1)NCc1sc2c(c1)CCC2)OC(C)(C)C	PC-id_103398000	335.464	ZFOFEZBVGIHQTM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-088709
O=C(N(C1CC1)CC1COCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000087	335.464	RSLMNWIJGVEMBD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-088710
O=C(NC1CCCCC1)NCCNC(=O)c1cc2c(s1)CCC2	EMOLS-id_98269901	335.464	UOTWSAORQASRSL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088711
O=C(NC1(C)CCOC1C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005808	335.464	ZJPFVLJGSNGLJC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-088712
O=C(NC1CN(CC1(C)C)C)CNC(=O)c1sc2c(c1)CCC2	MCULE-3112038086,EMOLS-id_320005518	335.464	BONNRYBCLWDVAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088713
O=C(Nc1sc2c(n1)C(CC2)(C)C)CNC(=O)C1CCCCC1	EMOLS-id_102162349	335.464	GLEQNQRQMMQMON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088714
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCOC(C1)C1CC1	EMOLS-id_102007113	335.464	VWNZLFYDUAWMLK-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-088715
O=C(N[C@@H]1CCC[C@H]1N(C)C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_320100908,MCULE-2014533592	335.464	GSQGUBFGQJBLIT-CHWSQXEVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088716
s1c2c(CCC2)c(c1NC(=O)C(C)(C)C)C(=O)N1CCNCC1	PC-id_39162849	335.464	HPTSMCHPXINEME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088717
s1c2c(CCC2)c(c1NC(=O)CC(C)C)C(=O)N1CCNCC1	PC-id_39162857	335.464	WXTOHEZWZGVMIL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088718
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCC(CC1)C)C)C(=O)N	PC-id_9444091	335.464	OXZPKADDTVJJJH-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-088719
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCC(CC1)C)C)C(=O)N	PC-id_9444093	335.464	OXZPKADDTVJJJH-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088720
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCCCCC1)C)C(=O)N	PC-id_9249960	335.464	IWAKZUMVKKGGRL-NSHDSACASA-N	00000010100000000100000010000000000000000000000000000000	25-01-088721
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCCCCC1)C)C(=O)N	PC-id_9249962	335.464	IWAKZUMVKKGGRL-LLVKDONJSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088722
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C)C)C(=O)N	PC-id_46631158	335.464	OXZPKADDTVJJJH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088723
s1c2c(CCC2)c(c1NC(=O)CN1CC(CC(C1)C)C)C(=O)N	PC-id_60467938	335.464	WFYQUZOSUIYGSV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088724
s1c2c(CCC2)c(c1NC(=O)C(N1CCCCCC1)C)C(=O)N	PC-id_46630995	335.464	IWAKZUMVKKGGRL-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088725
s1c2c(CCC2)c(c1NC(=O)CN1CCCCCCC1)C(=O)N	PC-id_8583839	335.464	SOWVEQDLSOBIEO-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088726
s1c2c(CCC2)c(c1NC(=O)CN1C[C@@H](C[C@@H](C1)C)C)C(=O)N	PC-id_8931044	335.464	WFYQUZOSUIYGSV-PHIMTYICSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088727
s1c2c(CCC2)c(c1NC(=O)CN1C[C@H](C[C@@H](C1)C)C)C(=O)N	PC-id_8931047	335.464	WFYQUZOSUIYGSV-QWRGUYRKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088728
s1c2c(CCC2)c(c1NC(=O)CN1C[C@@H](C[C@H](C1)C)C)C(=O)N	PC-id_8931049	335.464	WFYQUZOSUIYGSV-GHMZBOCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088729
s1c2c(CCC2)c(C(=O)N2CCNCC2)c1NC(=O)CCCC	PC-id_39162841	335.464	QVTRCIPJRNSDIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088730
Cc1csc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	EMOLS-id_3342321,MCULE-6421343158,PC-id_2463498,ChEMBL-DNDi_CHEMBL1605937,ZINC22_3346795,CoCoCo_3128948,CHEMBL1605937	335.468	WEKDKZWMBUVADV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088731
C/C=CC/C(=CC(S(=O)C)C)/C1Cc2c(C1)c(n[nH]2)/C(=N/N)/N	PC-id_143311024	335.468	XBPUJSHDGDBTHG-DNFZQOLXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088732
O=C(c1ccc(s1)[C@H]1CCC[NH2+]1)NCc1cn2c(n1)SCC2	GD-id_ZINC20997073	335.468	RADIRPQETVJMCI-LLVKDONJSA-O	00000010100100000001100010000000000000000000000000000000	25-01-088733
CCC1CCc2c1nc([nH]2)C(CC(C)(C)C)NC(=O)OC(C)(C)C	PC-id_113759070	335.484	KLYSDJGHEFRUAA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088734
CN(C)CCN(Cc1ccsc1)C(=O)c1nc2c(s1)CCC2	ZINC22_415780128,MCULE-8637092388,EMOLS-id_316913800	335.487	CCWYIBDARSXZRN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-088735
N#Cc1c(NC(=O)C(N2CCSCCC2)C)sc2c1CCC2	EMOLS-id_98189833	335.487	UHBIQDIVZNEWTF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088736
CCN(CCCC(NC(=NC)NCc1nnc2n1CCC2)C)CC	PC-id_110999921	335.491	NLQLFVHEJQXRRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088737
CCNC(=NCc1nnc2n1CCC2)NCCN(C(C)C)C(C)C	PC-id_111020301	335.491	IVSQPWBXZOVOAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088738
CN=C(NCc1nnc2n1CCC2)NCCCN(C(C)C)C(C)C	PC-id_111691142	335.491	VGMFCIVWZYOPHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088739
CCCCCCCCCCCCN1C(=O)c2c(C1=O)sc(c2)C	SCHEMBL20434472,PC-id_135271182	335.504	JKRPJVSORBDLCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088740
CCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	PC-id_117982906,SCHEMBL16604921	335.504	XNPQJMZDERSWIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088741
c1(NC(=O)CCC2CCCCC2)c2CSCc2nn1C(C)(C)C	Chemmine_40323,MCULE-6880849178,CoCoCo_4982346,PC-id_3683221,ZINC22_9391570,EMOLS-id_5438613	335.507	YZSQZFKZJIXVKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088742
CC(C)[C@@H](CNC(=O)c1cc2c(s1)CCC2)N1CCN(C)CC1	CoCoCo_4879968,ZINC22_40522809,PC-id_93615707,CoCoCo_4879967	335.507	NXLJFYNMDSOVBU-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088743
CC(C)[C@H](CNC(=O)c1cc2c(s1)CCC2)N1CCN(C)CC1	PC-id_93615708,ZINC22_40522813,CoCoCo_4879965,CoCoCo_4879966	335.507	NXLJFYNMDSOVBU-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088744
CCCN1Cc2c(C1)nc(s2)OC1CCCN(CC1)C1CCC1	SCHEMBL176068,PC-id_66614621	335.507	AZZLUVOQLQVOLJ-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-088745
CN1CCN(CC1)C(C(C)C)CNC(=O)c1sc2c(c1)CCC2	PC-id_45819163,EMOLS-id_31936266,MCULE-5023010513	335.507	NXLJFYNMDSOVBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088746
CN(C1CCCN(Cc2nc3CCCc3s2)C1)C(=O)C(C)(C)C	EMOLS-id_337702397,MCULE-9560265822	335.507	MXLHJPPRGJGMPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088747
CN(C(=O)C(C)(C)C)[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1	ZINC22_2087131111	335.507	MXLHJPPRGJGMPT-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088748
CN(C(=O)C(C)(C)C)[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1	ZINC22_2087131112	335.507	MXLHJPPRGJGMPT-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-088749
CN(C(=O)CN1CCC(CC1)NC(c1sc2c(c1)CCC2)C)C	EMOLS-id_50336501,MCULE-9124050850,PC-id_102553142	335.507	KQALYWMXPFJZAJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088750
CN(C(=O)CN1CCC(CC1)N[C@H](c1sc2c(c1)CCC2)C)C	PC-id_99714265	335.507	KQALYWMXPFJZAJ-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088751
CN(C(=O)CN1CCC(CC1)N[C@@H](c1sc2c(c1)CCC2)C)C	PC-id_99714266	335.507	KQALYWMXPFJZAJ-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-088752
n1c2CCCc2sc1CCNCC(=O)NC1CCCCCCC1	MCULE-5681327930,EMOLS-id_32370068,ZINC22_65371042,PC-id_50949238	335.507	WLFHMDBKAQTSQI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-088753
OC1CCCCC1N1CCC(CC1)NCc1sc2c(n1)CCC2	PC-id_109948725	335.507	QNAGIJSOFRRQGI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-088754
s1c2CN(Cc2cc1C(=O)NCCN1CCCCCC1)C(C)C	PC-id_53171060	335.507	VZJMZUIKXZMBQA-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-088755
CCSc1cccc(c1C(=S)N)Nc1sc2c(n1)CCC2	PC-id_104197207	335.511	TWOZDESFZSGWMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088756
O=C(c1cc(c2n1CC(C2)(C)C)C#C[Si](C)(C)C)c1ccccc1	PC-id_101173857	335.515	LRDHTMTYWZBMPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088757
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)O[Si](C(C)(C)C)(C)C	EMOLS-id_316576668	335.517	GDRVERRFGVAOOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088758
ClC(Cl)(Cl)c1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324914181	335.597	SDRLWVQSQMRMAA-XQRVVYSFSA-N	00000000110000000001000010000000000000000000000000000000	25-01-088759
n12c(=O)c(=Cc3ccc[nH]3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1995165587	335.597	SDRLWVQSQMRMAA-UHFFFAOYSA-N	00000000110000000001000010000000000000000000000000000000	25-01-088760
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(OC)ccc(Cl)c1)C	MCULE-8238750917,PC-id_135635997,EMOLS-id_17109480,STOCK6S-53186	335.746	NBMOJDLPHUJAOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088761
COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(C)nn12	ZINC22_13728144,PC-id_135904087	335.746	NBMOJDLPHUJAOV-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088762
COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(C)nn12	ZINC22_13728147,PC-id_135904088	335.746	NBMOJDLPHUJAOV-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-088763
Clc1sc2CCC(Nc3cc(ccc3F)C(F)(F)F)c2c1	PC-id_81246126	335.748	BQAPMSIAYCBMOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088764
Clc1sc2CCC(Nc3cc(c(F)cc3)C(F)(F)F)c2c1	PC-id_81246118	335.748	AWEHKNVZNRLLPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088765
O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1Cc2c[nH]nc2C1	ZINC22_627455788	335.761	MFMMUCZLESCPJC-ABAIWWIYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088766
n12nc(nc1sc(=Cc1cc(Cl)ccc1OC(=O)C)c2=O)C	MCULE-8544262908	335.765	ISQGDXRIFSSZTN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088767
Clc1sc2c(c1)C(CC2)NC(c1[nH]nc(c1)C(F)(F)F)C	EMOLS-id_319588828	335.776	IOZGNECEJGWMPN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088768
CCCCc1cc2n(c1C(=O)c1occc1Cl)CCC2C(=O)O	SCHEMBL11663232,PC-id_20356083	335.782	ZFUBMMNJSZHLRE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-088769
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(o1)Cl)C)C	PC-id_20356150,SCHEMBL11662868	335.782	CPZRTDPPLUJNNW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-088770
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1occ(c1)Cl)C)C	PC-id_20356182,SCHEMBL11660667	335.782	WYIGUFKCTSFVIB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-088771
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1occc1Cl)C)C	SCHEMBL11656943,PC-id_20356119	335.782	DKIIZWBHIZICJH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-088772
c1(NC(=O)Nc2ccc(c(Cl)c2)F)sc2c(CCC2)c1C#N	EMOLS-id_13109278,MCULE-8785785566,CoCoCo_6400487,PC-id_35279679,ZINC22_27923031	335.784	YDJZAHUGYZCFBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088773
c1(C(=O)Nc2c(OC)cc(c(OC)c2)Cl)c2CCCc2n(C)n1	PC-id_110389143,MCULE-4575103299,EMOLS-id_179745493	335.785	VCPMMIOVRCCHNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088774
Cc1c2n(CCO2)nc1C(=O)NCCC(c1ccccc1Cl)O	PC-id_91959928	335.785	YZKKLMQHIHRXTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088775
CCOc1cc(cc(c1O)Cl)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319729684	335.785	IQHRUGZSHCXXCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088776
COc1c(Cl)cc(cc1OC)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319674501	335.785	UJUOFYUFDOYABY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088777
COc1c(Cl)cc(cc1OC)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318855263	335.785	DSPBWPXBPFXDPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088778
Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_368142273	335.789	JQMLVMOKJZSYBU-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088779
Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCO2	ZINC22_368142274	335.789	JQMLVMOKJZSYBU-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-088780
CCNc1c(c(=O)n2n1CCC2)N=C1C=C(C(=O)C(C1=N)Cl)C	PC-id_136632156	335.789	WJCRWDHGWGDYJP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-088781
CCNc1n2CCCn2c(=O)c1/N=C/1C=C(C)C(=O)C(=C1N)Cl	SCHEMBL13963920,PC-id_57577981	335.789	RYKXNHVUIGYIOX-DJKKODMXSA-N	00000010100011000001000010000000000000000000000000000000	25-01-088782
CCNc1n2CCCn2c(=O)c1/N=C
/C=C(C)C(=O)C(=C1N)Cl	SCHEMBL3861628	335.789	RYKXNHVUIGYIOX-OCKHKDLRSA-N	00000010100011000001000010000000000000000000000000000000	25-01-088783
CCNc1n2CCCn2c(=O)c1N=C1C=C(C)C(=O)C(=C1N)Cl	SCHEMBL3861631	335.789	RYKXNHVUIGYIOX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-088784
CCOc1ccc(cc1Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319849262	335.789	UHTBHNMKWBQVFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088785
Oc1cc(Br)cc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317974895	336.184	NUWPQQSYWYSAQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088868
CCOc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)Cl	EMOLS-id_319134660	335.789	IBEICABKNQDDAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088786
CCOc1cc(Cl)ccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319008322	335.789	RGROLBWUKPAXGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088787
CCOc1c(Cl)cccc1NC(=O)NCc1nnc2n1CCC2	EMOLS-id_35734091,MCULE-5952239237,PC-id_53520085,ZINC22_54508196	335.789	JKXIXEOSHHHGTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088788
Clc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1OCC	PC-id_60485355	335.789	IQRZHALOEHHIMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088789
COCc1c(cccc1Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319528678	335.789	MWGCKFDJURNPOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088790
O=C(N1CCCC1c1c(C)nn(c1Cl)C)c1nn2c(c1)OCC2	EMOLS-id_316048347,MCULE-9752629706	335.789	JQMLVMOKJZSYBU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088791
O=C(NCc1nnc2n1CCC2)NCC(c1ccccc1Cl)O	PC-id_111450401	335.789	PCTDJKCJUMYVMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088792
Clc1cnn(c1)C1CCN(C1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_99624699	335.792	DJEWXTGVDDXYFA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-088793
Clc1ccc(c(c1)F)C(C(=O)NCc1cnc2n1CCC2)(C)C	MCULE-5591540509,EMOLS-id_320185846	335.804	KMSWDVPIQCMNKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088794
Clc1ccc(cc1F)[C@@H]1OCC[C@H]1NC1CC(n2c1ncc2)C	MCULE-6834469006,EMOLS-id_320072983	335.804	WKFPLXGMKRPZMR-KNWPPBIGSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088795
Clc1ccc(cc1F)[C@@H]1OCC[C@H]1NCc1cnc2n1CCC2	EMOLS-id_319138387,MCULE-4694851104	335.804	ROAZHUOCYGHOHQ-WBVHZDCISA-N	00000010100000110001100010000000000000000000000000000000	25-01-088796
O=C(C(c1cccc(c1F)Cl)(C)C)NCc1n[nH]c2c1CCC2	MCULE-4624733951,EMOLS-id_320136581	335.804	YOFLWCZCGLVQEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088797
c12CC(C(=O)OC)Cc1c(C(=O)c1ccccc1Cl)c(N)s2	MCULE-6821128558,SCHEMBL9096213,PC-id_19438725,EMOLS-id_324183355	335.805	JABXOJQAANUMID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088798
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)OC	SPECS-id_AT-225/NB59830,PC-id_718805,CoCoCo_187552,MCULE-9384747304,BAS-01292316,ZINC22_118498,EMOLS-id_603377,TIMTEC339858	335.805	NQWATHZTCFDLPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088799
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	STOCK2S-02425,BAS-00472548,ZINC22_232070,GD-id_ZINC00232070,EMOLS-id_1227043,PC-id_761587,TIMTEC582844,SPECS-id_AG-690/11151043,CoCoCo_77139,MCULE-4243355151	335.805	YVWUPEMRLLGVSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088800
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AT-225/NB59954,SPECS-id_AK-968/13408194,ChEMBL-DNDi_CHEMBL2798-1081,Chemmine_6972,TIMTEC571279,CoCoCo_1708528,PC-id_718803,ZINC22_118496,EMOLS-id_603625,MCULE-4565503815	335.805	YIWXSMMMFJXEGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088801
Clc1ccc(cc1)C(C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_120206077,EMOLS-id_72031353,MCULE-8971150710	335.805	XAJNAUXMJCYMFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088802
Clc1ccc(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_4538073	335.805	QVEYTRJNMPTVJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088803
ClCc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)ccc1	PC-id_23108118	335.805	CJPOYMWGHBOLDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088804
COC(=O)[C@@H]1Cc2sc(N)c(C(=O)c3ccccc3Cl)c2C1	PC-id_15070225,SCHEMBL10435607,ZINC22_145393542	335.805	JABXOJQAANUMID-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088805
COC(=O)[C@H]1Cc2sc(N)c(C(=O)c3ccccc3Cl)c2C1	PC-id_15070226,SCHEMBL10435449,ZINC22_145364374	335.805	JABXOJQAANUMID-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088806
CSc1cc2n(c1C(=O)c1ccc(Cl)cc1)CCC2C(=O)O	PC-id_13687515,SCHEMBL10811173,CHEMBL443491	335.805	HRIBDQKUYSEXLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088807
CSc1ccc(C(=O)c2c(Cl)cc3n2CCC3C(=O)O)cc1	CHEMBL166651,PC-id_13068188	335.805	LOSVOZXNZJGQFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088808
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccccc1Cl	PC-id_4828866,CoCoCo_2840939,EMOLS-id_3467797,ZINC22_5308617,MCULE-7477898509,SCHEMBL20620016	335.805	XNGWDTHPHZEZSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088809
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cccc(Cl)c1	MCULE-1800747482,PC-id_4828776,ZINC22_4581574,CoCoCo_2840968,EMOLS-id_2881048	335.805	MSWLGSOGRPBWNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088810
Clc1ccc(c(c1)F)N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318666127,MCULE-3309477893	335.807	BOCOLMMCTBMHAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088811
Clc1ccc(cc1F)N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318731148,MCULE-9948809154	335.807	NLZJOEVMCWYEGK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088812
Fc1ccc(cc1Cl)N1CCC(C1)NC1CC(n2c1ncn2)C	EMOLS-id_318717905,MCULE-2282480346	335.807	RHAIHFMTYBXZLB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088813
c1(NC(=O)c2cccc(Cl)n2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329309,MCULE-1580730598	335.809	QTNWYTPSBJSZHJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-088814
c1(NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334335442,MCULE-9025466702	335.809	IBFIOYNODOOPBN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-088815
c1(NC(=O)c2ccc(nc2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-3863684118,EMOLS-id_334331357	335.809	UFKKRJSPXTWJQE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-088816
c1(NC(=O)c2ccnc(Cl)c2)sc2c(CCC2)c1C(=O)NC	MCULE-7030282923,EMOLS-id_334331101	335.809	HVUMLYXWPIPTEW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-088817
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-5002027438,EMOLS-id_334660817	335.809	MJBJKJYNQYQIRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088818
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348316,SCHEMBL18015730,PC-id_3458632,MCULE-7210853549	335.809	RKGPNOVARKUNOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088819
c1(NC(=O)Nc2ccccc2Cl)sc2c(CCC2)c1C(=O)N	PC-id_35524709,EMOLS-id_15294102,MCULE-7554985855,CoCoCo_6453491,ZINC22_28227297	335.809	VJVMTQRUDMLOMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088820
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)N	EMOLS-id_1118938,MCULE-5102319979,STOCK3S-93315,PC-id_930996,ZINC22_522510	335.809	VAMJSMJKRUTQSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088821
CC(C)(C)c1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324852457	335.809	IGHCMARBYICAON-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088822
CC(C)Cc1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324858598	335.809	XLGMEKHSCGLOPL-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088823
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NC)cc1	PC-id_16947357	335.809	QHOXMFRDSODIIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088824
n12c(=O)c(=Cc3cc(Cl)ccc3O)sc1nc(C(C)(C)C)n2	MCULE-7537670408	335.809	IGHCMARBYICAON-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088825
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)CC(C)C	MCULE-9192682224	335.809	XLGMEKHSCGLOPL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088826
Cn1c(c2CCCc2n1)CNc1nnc(o1)c1ccc(s1)Cl	PC-id_136569660	335.812	MJLRIHRKHIJSIL-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-088827
ClCCCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109332	335.828	HMQORJFFKUMKBP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-088828
CN=C(N(Cc1cc(cn1C)Cl)C)NCc1nnc2n1CCC2	PC-id_109714619	335.835	IJJRMNQSKAUIKE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-088829
c1(C(=O)OCC)c2CCCc2sc1NCc1ccc(cc1)Cl	MCULE-3680403621,PC-id_110826454	335.848	HZZVLGXOLIJSGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088830
CCOC(=O)c1c(NCc2ccccc2Cl)sc2c1CCC2	PC-id_110826548	335.848	KYPYBHSBWQGXND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088831
Clc1ccc(cc1)OCCN(C(=O)c1sc2c(c1)CCC2)C	PC-id_112792662	335.848	VLYHUNQPKGRFFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088832
Clc1cc(CN(C(=O)c2sc3CCCc3c2)C)c(OC)cc1	PC-id_9182870	335.848	CSUDIWQDQAIHIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088833
c1(NC(=O)c2ccccc2Cl)c2CSCc2nn1C(C)(C)C	CoCoCo_4972607,PC-id_4657700,ChEMBL-DNDi_CHEMBLF0396-0071,ZINC22_189420,EMOLS-id_5426129,MCULE-8240571832	335.852	IMCRLONJSZDIDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088834
c1(NC(=O)c2ccc(cc2)Cl)c2CSCc2nn1C(C)(C)C	PC-id_3479814,CK1615009,CoCoCo_4972613,MCULE-3431467477,ChEMBL-DNDi_CHEMBLF0396-0079,ZINC22_189424,EMOLS-id_5426143	335.852	YBQVWZZIOMMGPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088835
c1(NC(=O)c2cccc(Cl)c2)c2CSCc2nn1C(C)(C)C	ZINC22_189422,ChEMBL-DNDi_CHEMBLF0396-0072,MCULE-8799807321,CoCoCo_4972608,PC-id_5096387,EMOLS-id_5426131	335.852	ZPBWDGSDZCKPOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088836
Clc1ccccc1CSCC(=O)NCc1n[nH]c2CCCc12	EMOLS-id_31605959,PC-id_46985553,ZINC22_55099814,MCULE-2935798503	335.852	LVOVAYKXYSVZMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088837
Clc1cc(C[NH2+]Cc2n3CCCc3nn2)ccc1OC(CC)C	PC-id_75840699	335.852	VXVFJPPSTPCRIR-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-088838
Clc1cc(C[NH2+]Cc2n3CCCc3nn2)ccc1O[C@@H](CC)C	PC-id_52399926	335.852	VXVFJPPSTPCRIR-GFCCVEGCSA-O	00000010100000110001000010000000000000000000000000000000	25-01-088839
Clc1cc(C[NH2+]Cc2n3CCCc3nn2)ccc1O[C@H](CC)C	PC-id_52399928	335.852	VXVFJPPSTPCRIR-LBPRGKRZSA-O	00000010100000110001000010000000000000000000000000000000	25-01-088840
Clc1ccc(SCCC(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536332	335.852	PLQAJLYXMRNXEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088841
Clc1cc(NCc2sc3c(n2)CCC3)ccc1C(=O)N(C)C	MCULE-8509025194,EMOLS-id_318089069	335.852	LSQMGKQNRWPWKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088842
Clc1sc(S(=O)(=O)Nc2sc3CCCc3n2)c(n1)C	PC-id_61511746	335.853	LNOKDZZWNJMCKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088843
CC(=O)c1sc2[n+](c1C)C(=O)/C(=Cc1ccccc1Cl)S2	ZINC22_17222266,PD011398,PC-id_5351417	335.99	VOSPTOAMNUGYRV-KPKJPENVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088844
CN1C(=C2CN(CC2=N1)C(=O)NC3=C(C=NC=C3)Br)N	EMOLS-id_318981765,PC-id_154789788	336.033	JQQKQYISVGSNRQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088845
CC1CN2C(=C(N=N2)/C(=N/S(=O)(=O)C3=CC=C(C=C3)C)/C)S1	PC-id_154724181	336.071	FWGPHKULZHSLJB-LFIBNONCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088846
CN(C)CCN(C)Cc1nn2CC(Cc2c1Br)(F)F	PC-id_164002684	336.076	UKILUQKHKUOPJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088847
CN(C)CCN1CC(C2=C1SC=C2)S(=O)(=O)C3=CC=CC=C3	PC-id_154296335	336.097	MCOPEUMCOGPMEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088848
CC1[C@@](OC2=NC(=CN12)[N+](=O)[O-])(C)N(C)CC3=CC=C(C=C3)Cl	PC-id_153874052	336.099	FUAAENOWHHZRDV-WRXSAAJRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088849
CC1[C@@](OC2=NC(=CN12)[N+](=O)[O-])(C)N(C)CC3=CC(=CC=C3)Cl	PC-id_153874053	336.099	FGQXWKVEPVGCDL-WRXSAAJRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088850
C1CC2=NC=NN2C1CN3CCOC(C3)C4=C(C=C(C=C4)F)Cl	PC-id_154769148,EMOLS-id_317349896,MCULE-1618675597	336.115	UOFOBGYNPIXQNT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-088851
CCOC(=O)CC1C2=CC=C(N2C(=O)N1OC)/C=C/C(=O)OCC	PC-id_162355966	336.132	NDJZCTPCQCJXTK-VQHVLOKHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088852
C1C2=C(CN1CC3=CC(=CC=C3)F)NN=C2NC(=O)C4=CC=CC=C4	PC-id_165389124	336.139	CCNLPYYBUIFWNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088853
Brc1ccc(NC(=O)CC2C(=O)Nc3ncnn23)cc1	STOCK6S-67415,SPECS-id_AN-153/NB21567,EMOLS-id_24575957,PC-id_42651101,MCULE-8249598335	336.144	MWPILEQPVUESMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088854
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(Br)cc1	ZINC22_20719660,PC-id_29129926	336.144	MWPILEQPVUESMD-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088855
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(Br)cc1	ZINC22_20719664,PC-id_29129928	336.144	MWPILEQPVUESMD-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-088856
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3(CC3)[Si](C)(C)C)C	PC-id_149817689	336.162	BQMXURVKCJDNKZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-088857
N#Cc1cc(F)c(cc1Br)NCc1nnc2n1CCC2	EMOLS-id_318609363,MCULE-8941740488	336.162	OGCRVJVJVJAZGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088858
c1(c(c(c2C(CCn12)C(=O)c1ccc(cc1)Cl)C=O)Cl)C=O	CT-id_7152101,PC-id_56934517	336.169	BXVLZHLCOYONEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088859
O=Cc1c2[C@H](CCn2c(c1Cl)C=O)C(=O)c1ccc(cc1)Cl	7152101_OpenMolecule,PC-id_139190774	336.169	BXVLZHLCOYONEM-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-088860
Brc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)O	EMOLS-id_317917524	336.184	YTWXAZWLSWBRAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088861
Brc1n2c(N(Cc3ccc(OC)cc3)C(=O)C2)nc1C	PC-id_71763475	336.184	AOXHEYXDMZZVSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088862
Brc1nc2n(CC(=O)N2Cc2ccc(OC)cc2)c1C	PC-id_71763474	336.184	IAKZQFKINTXVMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088863
CCCCC1(C2=CC=CN2C(=O)N1OC)C#CCCC3=CC=CC=C3	PC-id_162352156	336.184	NIIBLWYXCNKLIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088864
COC(c1ccccc1)C(=O)N1CCn2c1c(cn2)Br	PC-id_136554594,EMOLS-id_316995338,MCULE-7662132728	336.184	QUPMQXKZWAUPQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088865
CO[C@@H](C(=O)N1CCn2ncc(Br)c12)c1ccccc1	ZINC22_1775984759	336.184	QUPMQXKZWAUPQR-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088866
CO[C@H](C(=O)N1CCn2ncc(Br)c12)c1ccccc1	ZINC22_1775984760	336.184	QUPMQXKZWAUPQR-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088867
Oc1cc(Br)cc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320084682,MCULE-9306833369	336.184	QLKDUWSTBLXMRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088869
Brc1cccc(n1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_103949695	336.187	HLZLDQJKSHZJBN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088870
Brc1cccc(n1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_108091450	336.187	IJNDYSSWHJLQNH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088871
Brc1ccc(nc1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_62952551	336.187	VEYIXVHFRDEEFI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088872
Brc1ccc(nc1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_62954564	336.187	CKSWRVABXXRXTD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088873
Brc1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_60446945	336.187	CTNBSNOKYHCHSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088874
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)cnc1	EMOLS-id_31875220,MCULE-4168866749,PC-id_45804914	336.187	LEGVQCYAROHOAD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088875
Brc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_60447022	336.187	DXPOTIKKHRRDEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088876
Brc1cnc(nc1)N(C(=O)c1n(C)nc2c1CCC2)C	MCULE-6453662508,EMOLS-id_316975094	336.187	BDMRMZDEYMUPFI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-088877
Brc1c(NC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_60447136	336.187	BOFGHTBKVLSIMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088878
Brc1nccc(c1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_103754200	336.187	SXINHTNANXBUHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088879
Brc1nccc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_103754844	336.187	AWQZANDKBBZJCB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088880
Brc1ncc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_66463300	336.187	RVTOCZNDLXEJHN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088881
Brc1ncc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_66464108	336.187	LCHDZXMCRHOETP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088882
CC(c1nnc2n1CCC2)NC(=O)c1cccnc1Br	PC-id_103754845	336.187	VDMWFTXDGVEIBU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088883
CC(c1nnc2n1CCC2)NC(=O)c1ncccc1Br	PC-id_107518217	336.187	XOVPMEVUTGPPSB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088884
CC(C)c1ncc(Br)c(C(=O)N2CCn3nccc23)n1	ZINC22_935880649,MCULE-2948451065,PC-id_139019973,EMOLS-id_317739941	336.187	JVUYABWGFPCWPH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-088885
CN(Cc1nnc2n1CCC2)C(=O)c1cncc(Br)c1	ZINC22_42317086,MCULE-4175975715,PC-id_53500324,EMOLS-id_35688618	336.187	VBCDPHQGLAWJTQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088886
CN(C(=O)c1c(Br)nc2n1CCC2)Cc1ncccn1	EMOLS-id_319665648	336.187	KUQRPRAPAAAQBH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-088887
CN(C(=O)c1cccnc1Br)Cc1nnc2n1CCC2	PC-id_103754201	336.187	HKQNGKVOCCKLAE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088888
CN(C(=O)c1ncccc1Br)Cc1nnc2n1CCC2	PC-id_107518606	336.187	IHHTZDADIXNMLN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088889
O=C(c1cncc(c1N)Br)Nc1n(C)nc2c1CCC2	EMOLS-id_319674653	336.187	JUMNUWHVFUFQFC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088890
O=C(c1nn2c(c1Br)CCC2)N1CC(C1)c1ncc[nH]1	EMOLS-id_319399580	336.187	NJZWTQFRLVOPJI-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-088891
O=C(c1nn2c(c1Br)CCC2)NC(c1cnccn1)C	EMOLS-id_319027471	336.187	CPIOLABBNVENAT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-088892
O=C(c1nn2c(c1Br)CCC2)NCCc1ncccn1	EMOLS-id_320113876,MCULE-8805952640	336.187	FSBSRVCLMAHYGY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-088893
O=C(NCCc1nnc2n1CCC2)c1cncc(Br)c1	PC-id_53519107,EMOLS-id_35688768,ZINC22_54562518,CHEMBL4569230,MCULE-2694555137	336.187	KPMGLYFGJRJKFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088894
C1Cc2c(C1NC(=O)NCCI)scc2	SCHEMBL13984231,PC-id_89219508	336.192	OYQDDGHOWUSLAD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088895
Brc1cc([nH]c1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_60667298	336.207	JGWPWRDZPIAQEK-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-088896
CCc1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324842726	336.207	NNJIYTUUKHPWKX-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088897
CCc1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324841705	336.207	ZOUGOQZGDBNRFW-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088898
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)CC	MCULE-8629012998	336.207	NNJIYTUUKHPWKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088899
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)CC	MCULE-7416174457	336.207	VLBCDKCSXCDMRK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088900
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CC	MCULE-6372195293	336.207	ZOUGOQZGDBNRFW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-088901
C=CCC1N(C)C(=O)c2c1c([nH]n2)Cc1ccc(cc1Cl)Cl	PC-id_141151323	336.216	KLBDDNNEWQORHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088902
CSCC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_258101694,MCULE-8449084569	336.225	BAZBAPVFKIJACX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088903
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2N)c1	EMOLS-id_331012517,MCULE-9452595158	336.227	WGHUYXJVVPPUNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088904
COc1ccc(Br)c(Cn2nc(N)c3C(C)CCc23)c1	EMOLS-id_330963448,MCULE-5031864628	336.227	ALPUEQMOIZAUOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088905
COc1ccc(cc1Br)C(NC1CCn2c1ncc2)C	EMOLS-id_317970087,MCULE-9918601683	336.227	IAKNPCMWWRTWKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088906
COc1ccc(c(c1)Br)CNC1CC(n2c1ncc2)C	MCULE-2380830575,EMOLS-id_318223175	336.227	KCPDSZDMJJAISE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088907
COc1ccc(cc1Br)CNC1CC(n2c1ncc2)C	MCULE-3593265548,EMOLS-id_318172042	336.227	SUXXNDAJVOEYPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088908
COc1ccc(c(c1)CNC1CC(n2c1ncc2)C)Br	EMOLS-id_318203076,MCULE-8098705818	336.227	XTAKKBORHOOHIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088909
COc1ccc(cc1CNC1CC(n2c1ncc2)C)Br	MCULE-3342208506,EMOLS-id_318181680	336.227	BZBDTNYMZZONSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088910
COc1cc(C)c(cc1NCc1cnc2n1CCC2)Br	MCULE-6147780956,EMOLS-id_318389511	336.227	DOLSHRGABXEVRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088911
COc1ccc(Cn2nc3CCC(C)c3c2N)c(Br)c1	MCULE-2318777583,EMOLS-id_331012773	336.227	RCNWFBSSFYEMDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088912
COc1ccc(Cn2nc(N)c3C(C)CCc23)c(Br)c1	MCULE-6738631397,EMOLS-id_330963704	336.227	HTHVJGKIOKWADT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088913
COc1c(CNC2CC(n3c2ncc3)C)cccc1Br	MCULE-8258937050,EMOLS-id_318146396	336.227	ICBGAOJAYHYFIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088914
Cc1nc(C(C)C)[nH]c(=N[C@H]2CCn3ccnc23)c1Br	ZINC22_1875287112	336.23	VOYZPQZEUDITJB-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-088915
Cc1nc(C(C)C)[nH]c(=N[C@@H]2CCn3ccnc23)c1Br	ZINC22_1875287113	336.23	VOYZPQZEUDITJB-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-088916
Cc1nc(nc(c1Br)NC1CCn2c1ncc2)C(C)C	PC-id_146145611	336.23	VOYZPQZEUDITJB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-088917
CC(c1nnc2n1CCC2)NCc1cncc(c1C)Br	MCULE-7522033377,EMOLS-id_318390536	336.23	CFLSFVKMXGZBTG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088918
CC(c1nnc2n1CCC2)NCc1ncc(c(c1)C)Br	EMOLS-id_318021959,MCULE-6735415402	336.23	KIBMHRZNVWLTHE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088919
CN(c1cc(NCc2cnc3n2CCC3)ncc1Br)C	EMOLS-id_318057392,MCULE-5349952610	336.23	MJPPTDWIHRCOFR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088920
C1CC2=NC=C(N2C1)CNCC3(CC3)CNC4CC4C5=CC=CC=C5	PC-id_147899828	336.231	IEAWXYPGKNJTJD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088921
C1CC2=NC=C(N2C1)CNCC3(CC3)CN[C@H]4C[C@@H]4C5=CC=CC=C5	PC-id_155265698	336.231	IEAWXYPGKNJTJD-MOPGFXCFSA-N	00100010100000110001100010000000000000000000000000000000	25-01-088922
c1(c2CCCc2sc1NC(=O)C(Cl)Cl)C(=O)OC(C)C	PC-id_5053646,SPECS-id_AK-968/40337932,EMOLS-id_5123480,TIMTEC497999,MCULE-2130807871,CoCoCo_6924211	336.234	VFEIPDYGMBCRHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-088923
Clc1cc(C(C(=O)c2sc3CCCc3c2)C#N)ccc1Cl	PC-id_61992237	336.236	GFJQTLQDICADOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088924
Clc1c(C(C(=O)c2sc3CCCc3c2)C#N)ccc(Cl)c1	PC-id_43334406	336.236	KSTAXCOCAZURMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088925
Clc1c(C(C(=O)c2sc3CCCc3c2)C#N)c(Cl)ccc1	PC-id_43333876	336.236	FWEKNSMHQIQILM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088926
Brc1ccc(CNC(=O)c2sc3CCCc3c2)cc1	PC-id_61400509	336.247	NUVQEKBOJUTQHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088927
Brc1ccc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61208967	336.247	ZYPLXFDFAVDKGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088928
Brc1c(cc(NC(=O)c2sc3CCCc3c2)cc1)C	PC-id_29034354	336.247	RMGQOUCTNJENAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088929
Brc1cc(c(NC(=O)c2sc3CCCc3c2)cc1)C	PC-id_9158994	336.247	IRNYBBXVQVGHDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088930
Brc1cc(CNC(=O)c2sc3CCCc3c2)ccc1	PC-id_60737544	336.247	VSZZXJIECWZGIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088931
Brc1cc(C(=O)NCc2sc3CCCc3c2)ccc1	PC-id_61208965	336.247	AUNNOZLORHPUDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088932
Brc1cc(NC(=O)c2sc3CCCc3c2)c(cc1)C	PC-id_43806419	336.247	KBJARSBKDGBIIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088933
Brc1cc(NC(=O)c2sc3CCCc3c2)ccc1C	PC-id_60730237	336.247	FGLVOPFXBMBBKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088934
Brc1c(CNC(=O)c2sc3CCCc3c2)cccc1	PC-id_60737458	336.247	XMNHCBRSLBBXGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088935
Brc1c(C(=O)NCc2sc3CCCc3c2)cccc1	PC-id_61208966	336.247	XVFBGCKFXWUADO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088936
Brc1c(NC(=O)c2sc3CCCc3c2)ccc(c1)C	PC-id_24702280	336.247	JQUBHSNGMVYGCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088937
Brc1c(NC(=O)c2sc3CCCc3c2)cccc1C	PC-id_81705797	336.247	MVEJGHRDTSOACS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088938
Brc1c(NC(=O)c2sc3CCCc3c2)cc(cc1)C	PC-id_82707394	336.247	QXIUSZWTARKGMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088939
BrCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_114307235	336.247	UGDWEYTWOFEDAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088940
BrCc1ccccc1NC(=O)c1sc2c(c1)CCC2	PC-id_114309618	336.247	KKAJQHJIDZVPFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088941
BrCc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_114310849	336.247	ZJHUMMZPNQZGQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088942
Cc1cc(Br)c(C(=O)c2c3c(CCC3)sc2N)cc1	PC-id_86775264,MCULE-7896241726,ZINC22_97053734,EMOLS-id_49432649	336.247	IBOKUVJFLKVOKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088943
Cc1cc(cc(c1)Br)NC(=O)c1sc2c(c1)CCC2	PC-id_107583846	336.247	STPXEXGVCOPNHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088944
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1C)Br	PC-id_113230270	336.247	RKGSITCMANKTFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088945
C1C(Oc2nc(cn12)[N+](=O)[O-])CNC(=O)OCc1ccc(cc1)F	PC-id_91162229	336.275	DJEQRLFYDACRAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088946
Fc1ccc(cc1)CN(C(=O)O)CC1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_141088071	336.275	HLSKZJAGBJBGQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088947
Fc1cc(NC(=O)OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)ccc1	SCHEMBL5544372,PC-id_69481763	336.275	IULVQCBZKVTPQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088948
Brc1ccc(CC(NC)c2sc3c(CCC3)c2)cc1	PC-id_61063742	336.29	PUZFDXUVNVHKFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088949
Brc1c(cc(C(N)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64184766	336.29	RWMWLWKJBQYELL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088950
Brc1c(cc(CNCc2sc3c(CCC3)c2)cc1)C	PC-id_66473014	336.29	KSIPGHVIFBLECC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088951
Brc1ccc(C(NCc2sc3c(CCC3)c2)C)cc1	PC-id_61207016	336.29	PHEDNJWRQNHBJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088952
Brc1cc(CC(NC)c2sc3c(CCC3)c2)ccc1	PC-id_61992305	336.29	HZNCRBJDLXISCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088953
Brc1ccc(C(NCC)c2sc3c(CCC3)c2)cc1	PC-id_43488608	336.29	HTLGVMZZTZHBKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088954
Brc1cc(CNCc2sc3c(c2)CCC3)ccc1C	PC-id_105401427	336.29	HSSNTKDHLSIXOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088955
Brc1cc(C(NCc2sc3c(CCC3)c2)C)ccc1	PC-id_61207018	336.29	NGQCXKFULJVYRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088956
Brc1c(CNCc2sc3c(CCC3)c2)ccc(c1)C	PC-id_81791852	336.29	GTTZWWMXQOLSHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088957
Brc1c(C(NCc2sc3c(CCC3)c2)C)cccc1	PC-id_61208347	336.29	SKDGSBZEDPJLMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088958
CNC(c1sc2c(c1)CCC2)Cc1ccccc1Br	PC-id_115786745	336.29	YCZGZPPZHLESBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088959
Fc1ccc(c(c1)F)C(=O)Nc1c2CNC(c2nn1C(=O)O)(C)C	PC-id_69077890,SCHEMBL4522556	336.293	WUWSIFMJTZJKDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088960
FC(F)(F)c1cc(CNC(=O)NN=C2CCn3c2ccc3)ccc1	MCULE-5402356937,EMOLS-id_300802087,PC-id_71936635	336.312	HABGGQIWSDBAPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088961
FC(F)(F)c1cc(CNC(=O)N/N=C/CCn3c2ccc3)ccc1	PC-id_75405592	336.312	HABGGQIWSDBAPD-BKUYFWCQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088962
c1(NC(=O)c2ccc(N(=O)=O)o2)sc2c(CCC2)c1C(=O)OC	MCULE-2368305136,CoCoCo_5018655,ChEMBL-DNDi_CHEMBLF0882-1371,ZINC22_4194746,EMOLS-id_30109402,PC-id_4290373	336.32	WIKCGVZTDKZYIR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-088963
c1(nn(cn1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)N(=O)=O	ZINC22_3671826,MCULE-6809302941,EMOLS-id_6772407,PC-id_606155	336.326	FNWUDNJDUQONCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088964
s1c2c(CCC2)c(c1NCC(=O)n1nc(nc1)[N+](=O)[O-])C(=O)N	PC-id_22294388	336.326	BIRXNADBAJCZLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088965
c1(CC(=O)Nc2sc3CCCc3c2C#N)c(F)cc(F)cc1F	MCULE-1942615829,EMOLS-id_328123823	336.332	WKEIZLQYVGXJBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088966
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C#N	PC-id_4118846,ZINC22_4071768,CoCoCo_3268193,EMOLS-id_5423694,MCULE-6541596420	336.332	NCOCAPPASDHKCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088967
FC(c1ccc(C(=O)Nc2c(C#N)c3c(CCC3)s2)cc1)(F)F	MCULE-5671495015,EMOLS-id_182640791,PC-id_108808354	336.332	DFYHYCBAXOOGPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088968
FC(c1c(C(=O)Nc2c(C#N)c3c(CCC3)s2)cccc1)(F)F	EMOLS-id_182639721,PC-id_108808068,MCULE-9112961906	336.332	RCVNUXVCHQKAFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088969
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(F)cc(cc2F)OC)n1	MCULE-3228902844,EMOLS-id_330993653	336.333	WGHPGMPNVHWVSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088970
COC(=O)c1c2C(C)CCc2nn1Cc1c(F)cc(OC)cc1F	MCULE-5373731040,EMOLS-id_330975409	336.333	FWQAJHYAMHIUMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088971
CC(C)[C@H](NC(=O)c1c(O)cc(F)cc1F)c1nnc2n1CCC2	ZINC22_75092613,PC-id_95971884	336.337	KFDSMNLNDANSDE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088972
CC(C)[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1nnc2n1CCC2	ZINC22_75092614,PC-id_95971885	336.337	KFDSMNLNDANSDE-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088973
Fc1cc(O)c(c(c1)F)C(=O)NC(c1nnc2n1CCC2)C(C)C	MCULE-2696483800,PC-id_72108481,EMOLS-id_43400319	336.337	KFDSMNLNDANSDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088974
Cc1cc(Oc2ccncc2)ccc1NC(=O)c1coc2c1COC2	ZINC22_2325827202	336.341	ZAKGWEVLFWCBPW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-088975
CCOC(=O)n1nc2c(c1NC(=O)C1CC1)CN(C2(C)C)C(=O)O	PC-id_71191434,SCHEMBL14522078	336.343	UHEYPKMGQMICMS-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-088976
[nH]1nc(c2c1CN(C2)C(=O)c1ccc(cc1)C)NC(=O)c1ccco1	CHEMBL1171395,PC-id_49798213	336.345	KDBRNWHENKLXJB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-088977
O=C(NC1CCC(CC1C)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99826621	336.495	IOBCXGWETWOEGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089387
O=C(c1cnc2n1CCC2)Nc1cccc(c1)NC(=O)c1cocc1	MCULE-3144336327,EMOLS-id_320098610	336.345	QDOXVBYZFNADBO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-088978
O=C(c1cnn2c1CCC2)Nc1cccc(c1)NC(=O)c1cocc1	EMOLS-id_318927624	336.345	UAKSGKBIMRYSGC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-088979
c12CN(Cc1cnn2CCO)C(=O)c1cnc(nc1)c1cccnc1	PC-id_72924045,EMOLS-id_46643266,MCULE-8654046690,ZINC22_95385914	336.348	COZNTAWHSAHHGC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-088980
c1(C(=O)NCc2cnccn2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-9743546316,EMOLS-id_316327219	336.348	SQNAZPNKLOCBSW-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-088981
Cc1oc(n2cccc2)c(C#N)c1C(=O)NCc1nnc2n1CCC2	MCULE-7643725952,EMOLS-id_30673750,PC-id_47016899,ZINC22_48276263	336.348	AGRWYBYQMGOWKQ-UHFFFAOYSA-N	00000010111000000001100010000000000000000000000000000000	25-01-088982
n1c(CNc2nccc(c3nccc(c3)C(=O)O)n2)c2c(CCC2)[nH]1	MCULE-3475745278,EMOLS-id_43575815,PC-id_70739740,ZINC22_77394617	336.348	GGZNPHBRYXMUNR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-088983
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330987958,MCULE-2612633444	336.351	QDBAAZSWFLADMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088984
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1C=O	MCULE-9945691383,EMOLS-id_330987702	336.351	RKOVZTOHYRVIQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088985
FC(c1ccccc1N1CCC(C1)NC1CCn2c1ncc2)(F)F	MCULE-4857956474,EMOLS-id_318370869	336.355	AFPYJOUSODHMGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088986
FC(c1ccc(cc1)N1CCC(C1)NC1CCn2c1ncc2)(F)F	MCULE-5902935223,EMOLS-id_318012563	336.355	RJCFCCHXUMTQJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088987
c1(NC(=O)c2ccc(cc2F)F)sc2c(CCC2)c1C(=O)NC	MCULE-6352330866,EMOLS-id_334332371	336.356	XCHHYXANVUELFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088988
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCC2)c1C(=O)NC	MCULE-5616364336,EMOLS-id_334330331	336.356	LJOCQXKXGPDIPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088989
CNC(=O)c1c(sc2c1CCC2)NC(=O)c1c(F)cccc1F	CoCoCo_2580151,ChEMBL-DNDi_CHEMBLF1830-0102,PC-id_7195555	336.356	GNGFLZHGHFTSIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088990
s1c2CCCc2cc1C(=O)NN=Cc1ccc(OC(F)F)cc1	PC-id_85015503	336.356	QMKFDLJXRXNILC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088991
s1c2CCCc2cc1C(=O)NN=Cc1c(OC(F)F)cccc1	PC-id_85015465	336.356	DLQBJABKBQPZDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-088992
c1(C#N)c2CCCc2sc1NC(=O)Cn1c(cc(C(F)F)n1)C	CHEMBL1865088,PC-id_4772950,TIMTEC446483,MCULE-2340891644,ZINC22_2782490,EMOLS-id_4016282	336.36	SFTGKTXMOZIZRK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-088993
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cccnc1C	MCULE-4996323245,PC-id_56739921,ZINC22_67490293,EMOLS-id_36567469	336.363	KKVNJWDAVAETRB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-088994
COc1ccc(cc1)S(=O)(=O)CC(=O)Nc1onc2CCCc12	MCULE-9521590619,ZINC22_8976494,EMOLS-id_12336675,PC-id_16942406,CoCoCo_5123866	336.363	DXZHYTJFCNDVJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088995
Fc1ccccc1c1cccc(c1)C(=O)NCc1nnc2CCCn12	EMOLS-id_232871776,MCULE-5411448684,ZINC22_828172095	336.363	BZKJXPDDKXKUHO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-088996
Fc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68440547,SCHEMBL2918196	336.363	ZBPUGXWLHAAQQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088997
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68441995,SCHEMBL2922461	336.363	DQVJTXWDGRTWPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088998
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2917760,PC-id_68440418	336.363	QZIAPJXPUUTYGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-088999
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)OC	PC-id_3432937	336.363	CMDBOTVXESDNBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089000
S1Cc2c(noc2NC(=O)c2cc(OC)c(OC)c(OC)c2)C1	PC-id_49720075	336.363	ILINZPULOZDWCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089001
c1(nnc2SCCn12)NC(=O)c1cc(OC)c(c(OC)c1)OC	MCULE-4082254917,CoCoCo_2590491,EMOLS-id_16349399,PC-id_22582951	336.366	ZFOLVMARSAPEGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089002
Cc1ccc(C(=O)O)cc1S(=O)(=O)NCc1nnc2n1CCC2	ZINC22_13252553,PC-id_45336207,MCULE-4402436081,EMOLS-id_33301339	336.366	HPOQFKOGLOBYGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089003
C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O	PC-id_101620751	336.366	HSOWOGZSPIEODL-BCMRRPTOSA-N	00001011100000000001001010000000000000000000000000000000	25-01-089004
C[C@H]([C@H]1C(=O)N2[C@H]1CC(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O	PC-id_101681347	336.366	HSOWOGZSPIEODL-POZPLHJXSA-N	00001011100000000001001010000000000000000000000000000000	25-01-089005
CCOc1ccc(S(=O)(=O)NC(=O)c2cnn3c2CCC3)cn1	ZINC22_835286880,EMOLS-id_316920939,MCULE-8083451606	336.366	MBOYQTPCGGAHHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089006
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68438901,SCHEMBL2913785	336.366	WOUYKXXCXVVFIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089007
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68440169,SCHEMBL2917062	336.366	MGPWKVKDHMYPIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089008
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68442161,SCHEMBL2922829	336.366	HBUSEWVUEIFXGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089009
COc1cccc(c1)C(=O)Nn1c2c(CN(C2)S(=O)(=O)C)cn1	PC-id_91246041	336.366	ADAVPOUJYLBABW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089010
COC(=O)c1sccc1NC(=O)CN1Cc2n[nH]cc2[C@H]1CO	ZINC22_1775987326	336.366	BUQYZERQEMRDNG-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-089011
COC(=O)c1sccc1NC(=O)CN1Cc2n[nH]cc2[C@@H]1CO	ZINC22_1775987327	336.366	BUQYZERQEMRDNG-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-089012
O=C(c1c(C)cc([nH]c1=O)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481304	336.366	VLSACSKDYGOCBV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089013
OCC1N(CC(=O)Nc2ccsc2C(=O)OC)Cc2c1c[nH]n2	EMOLS-id_317040682,MCULE-6460538323	336.366	BUQYZERQEMRDNG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-089014
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)C)COc1ccccc1	SCHEMBL2920127,PC-id_68441183	336.366	XGBQSBSQSITCAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089015
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1cc(ccc1)C(=O)O	PC-id_45336151	336.366	FAANBLUYQPWHPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089016
P(=O)(c1c2c(n(N)c1C)CCC2)(c1ccccc1)c1ccccc1	PC-id_10903815	336.367	CJPMBELIXWIAIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089017
O=C1Nc2c(/C/1=Cc1c[nH]nc1c1ccccc1)cc(s2)C(=O)N	PC-id_18626978,SCHEMBL6625374	336.368	LDTVEQVZYIRAJJ-IZZDOVSWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089018
O=C1Nc2c(C1=Cc1c[nH]nc1c1ccccc1)cc(s2)C(=O)N	PC-id_69844579,SCHEMBL6625378	336.368	LDTVEQVZYIRAJJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089019
O=C1Nc2c(/C/1=C/c1c[nH]nc1c1ccccc1)cc(s2)C(=O)N	SCHEMBL6625369	336.368	LDTVEQVZYIRAJJ-WDZFZDKYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089020
NS(=O)(=O)c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	MCULE-1863630607,ZINC22_10464433,EMOLS-id_31371581,PC-id_24651022	336.37	UDGPKYACTKKNIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089021
O=C(N1CCn2c1ccn2)COc1nsnc1N1CCOCC1	EMOLS-id_319161367	336.37	QSWSASWUMZYKPU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089022
O=C(N1CCn2c1ncc2)COc1nsnc1N1CCOCC1	EMOLS-id_319093398	336.37	STINBJOQVRMQTE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089023
N#Cc1c(NC(=O)c2cnn(c3ccccc3)c2)nc2n1CCS2	EMOLS-id_42894989,MCULE-4427919609,PC-id_72132824,ZINC22_72287803	336.371	XFRDNDRAQQFWRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089024
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)CCCCNC(=O)C)C	PC-id_9997142	336.383	AUFFZYUCYSAESC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089025
c12SCCn1cc(CNC(=O)c1cc(F)ccc1OCCN)n2	EMOLS-id_82705285,PC-id_118765409,MCULE-2764970743,ZINC22_426399106	336.384	XADRVAVQKYLRTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089026
c1(c2CCCc2n[nH]1)C(=O)N1CCOC(COC)(CC(=O)NC)C1	LAS-52310508,EMOLS-id_171928203,MCULE-8672662426	336.386	LGCXHBYPIUALDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089027
CCC1OCCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319558055	336.386	YTVAMSRLYXECPY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-089028
CCCC1OCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_318994109	336.386	STEDDQBMQOYQGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089029
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959895	336.386	KIVUNVDMTAWWFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089030
CCOC1CCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319448095	336.386	MXVDAOUCAJDDRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089031
CCOC(=O)n1nc2c(c1NC(=O)C1CCCCO1)CNC2(C)C	SCHEMBL12879114,PC-id_58015704	336.386	QBUVGGGGEKNNTN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089032
CC(=O)Oc1ccccc1C(=O)Nc1nc2c(s1)S(=O)CC2	PC-id_56971365,SCHEMBL6394869	336.386	CEBQGARGQWJFKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089033
CC(=O)Oc1ccccc1C(=O)Nc1sc2c(n1)CS(=O)C2	PC-id_56971585,SCHEMBL6393451	336.386	XNBFRRJUOAZDHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089034
CC(=O)Oc1ccccc1C(=O)Nc1sc2c(n1)S(=O)CC2	SCHEMBL10182939,PC-id_56971369	336.386	CMHCBIUHRODUQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089035
CNC(=O)C[C@@]1(COC)CN(C(=O)c2n[nH]c3c2CCC3)CCO1	ZINC22_585277244	336.386	LGCXHBYPIUALDV-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089036
CNC(=O)C[C@]1(COC)CN(C(=O)c2n[nH]c3c2CCC3)CCO1	ZINC22_585277248	336.386	LGCXHBYPIUALDV-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089037
COC1CCCN(CC1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319406855	336.386	WDQCBJHHTDZGQR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-089038
COC1CCN(CC1C)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319567949	336.386	KOHSJYCIHSJPOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089039
COCC1(C)CCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319679455	336.386	QAUMBPZPJDUPTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089040
COCC1CCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319759544	336.386	PLQCJTZSGDYDOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089041
COCC1CCN(CC1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319377084	336.386	RDILIIDFMKMNJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089042
COC(=O)c1c(NC(=O)N2CCCC2(CC)CO)nc2n1CCC2	EMOLS-id_319712298	336.386	UDKISGYEBFWDNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089043
COC(=O)c1c(NC(=O)N2CC(C(C2)(C)CO)C)nc2n1CCC2	EMOLS-id_319699246	336.386	WYYUXDPLSUEHSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089044
COC(=O)c1c(NC(=O)N2CCCC2C(O)(C)C)nc2n1CCC2	EMOLS-id_319189415	336.386	MITMMMIORMGXSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089045
COC(=O)c1c(NC(=O)N2CCCC(C2)(C)OC)nc2n1CCC2	EMOLS-id_319282600	336.386	MHXAOWAVPSTYBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089046
COC(=O)c1c(NC(=O)N2CCCC(C2)C(O)C)nc2n1CCC2	EMOLS-id_319785252	336.386	VMYDRCFNZAMNGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089047
COC(=O)c1c(NC(=O)N2CCCC(CC2)(C)O)nc2n1CCC2	EMOLS-id_319478887	336.386	FRUREWCGKFMLHA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-089048
COC(=O)c1c(NC(=O)N2CC(C)(C)OC[C@@H]2C)nc2n1CCC2	EMOLS-id_319482475	336.386	HQHOCWCVOHINBG-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-089049
COC(=O)c1c(NC(=O)N2CC[C@H](C2)OC(C)C)nc2n1CCC2	EMOLS-id_319853842	336.386	RDSZYAWJEDGUEM-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089050
COC(=O)c1c(NC(=O)N2CC[C@H](O[C@H](C2)C)C)nc2n1CCC2	EMOLS-id_319678035	336.386	PIUQAZHTHAIITM-MNOVXSKESA-N	00000010100000000101000010000000000000000000000000000000	25-01-089051
COC(=O)c1c(NC(=O)N2CC(C)OC(C2)(C)C)nc2n1CCC2	EMOLS-id_318992846	336.386	JKZRSKGULGJJAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089052
COC(=O)c1c(NC(=O)N2CCOC(C2)C(C)C)nc2n1CCC2	EMOLS-id_319070762	336.386	GQILUZKUQJWEEP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089053
COC(=O)c1c(NC(=O)N2CCOC(C2)(C)CC)nc2n1CCC2	EMOLS-id_319344055	336.386	UGFUFDFNDNSQLQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089054
COC(=O)c1c(NC(=O)NC2(CC)CCOCC2)nc2n1CCC2	EMOLS-id_319125321	336.386	NVGLHRBDVNNDDF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089055
COC(=O)c1c(NC(=O)NC2CC(C)OC(C2)C)nc2n1CCC2	EMOLS-id_319429061	336.386	VKHIUSTYLJKBQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089056
COC(=O)c1c(NC(=O)NC2CCOC(C2)(C)C)nc2n1CCC2	EMOLS-id_319257734	336.386	WIDXMOPPPHEHEP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089057
COC(=O)c1c(NC(=O)NCC2CCCC(O2)C)nc2n1CCC2	EMOLS-id_319289604	336.386	ABDUHEKZKZMYJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089058
COC(=O)c1c(NC(=O)N(CC2CCCOC2)C)nc2n1CCC2	EMOLS-id_319385440	336.386	ZQXOMOVHKJZPDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089059
COC(=O)c1c(NC(=O)NCC2CCOC2(C)C)nc2n1CCC2	EMOLS-id_319400619	336.386	SRUKDRPTPSUMBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089060
COC(=O)c1c(NC(=O)NC(C2CCOCC2)C)nc2n1CCC2	EMOLS-id_319134807	336.386	XMVTWDYNBFHIEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089061
COC(=O)c1c(NC(=O)NCC2CCOC(C2)C)nc2n1CCC2	EMOLS-id_319151498	336.386	FJRJZZHRHNZPFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089062
COC(=O)c1c(NC(=O)N(CC2(O)CCCC2)C)nc2n1CCC2	EMOLS-id_318978636	336.386	DQOVWAFGPSSMBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089063
OCC1CC(C)CN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319570826	336.386	RIRTWXXLRVQUIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089064
OCC1CCCN(C1C)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319665877	336.386	PEDBYMDKQQAATP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089065
OCCC1CCN(CC1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_318983910	336.386	OFIHHNWBJZBQMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089066
O[C@@H]1CN(C[C@@H]1NC(=O)c1cnc2n1CCC2)C(=O)OC(C)(C)C	EMOLS-id_258138286,MCULE-9464819617	336.386	OXLLHFCIYQXLJR-CMPLNLGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089067
O=C(N1Cc2c(C1)nc(n2C)C(=O)N1CCOCC1)OC(C)(C)C	SCHEMBL17380760,PC-id_118614485	336.386	FJJCKSSOKWIHKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089068
s1c2c(CCC2)c(c1N=Cc1sc([N+](=O)[O-])cc1)C(=O)OC	PC-id_24077857	336.386	YKFPLFKXFZKHPX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-089069
c12CN(Cc1nn(CC1CCC1)c2C#N)C(=O)OCc1ccccc1	MCULE-2598183115,EMOLS-id_324354667	336.388	HMMPTUPEKHVFDV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-089070
c12SCCn1cc(CNc1ncc(c(N3CCOCC3)n1)F)n2	PC-id_50965367,MCULE-4463849202,ZINC22_65406980,EMOLS-id_32400774	336.388	SQZLGVMYNNEYOG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-089071
c1(c2CCCc2[nH]n1)C(=O)N1CCCC2(c3ccccc3NC2=O)C1	PC-id_56893619,EMOLS-id_43104547,MCULE-4327230973	336.388	RPMIVBRFLAHPCM-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-089072
c1(ccc(c2ccccc2)n1C)C(=O)N1Cc2c(n(nc2)CCO)C1	ZINC22_215873098,PC-id_77089927,EMOLS-id_49886221,MCULE-7491877463	336.388	LEWMKZWEHOSUGO-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-089073
c1(CN(Cc2ccco2)C(=O)c2cccnc2)c2CCCc2n(C)n1	MCULE-6875625980,EMOLS-id_50145232,PC-id_86266529	336.388	QPNNLOWIABNHDT-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-089074
c1(C(=O)NCc2c3CCCc3[nH]n2)cc(no1)CCc1ccccc1	MCULE-4769517860,EMOLS-id_68929189,PC-id_118758463	336.388	LVQGSTUKAMIVHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089075
Cc1oc(c2ccccc2)nc1CC(=O)Nc1c2c(nn1C)CCC2	PC-id_51096618,ZINC22_58378152,MCULE-7006288665,EMOLS-id_33316469	336.388	PLQBTBGYWSKIPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089076
CCc1ccc(cc1)c1onc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319660530	336.388	SFLQAQPYYBLDEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089077
CC(c1ccccc1)N1Cc2c(C1)c([nH]n2)NC(=O)c1occc1C	PC-id_68442804,SCHEMBL2924375	336.388	YIIXQRYKYYQALL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-089078
CCc1onc(c1C(=O)NCc1cnc2n1CCC2)c1ccccc1	EMOLS-id_320202296,MCULE-4784946774	336.388	PDFVKIDATDQNQX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089079
COc1ccc(cc1)c1c[nH]c(n1)CNC(=O)c1[nH]c2c(c1)CCC2	MCULE-1081989776,EMOLS-id_320286094	336.388	UVXXZTKYJIYERN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089080
n12CCCc1nnc2CNC(=O)CC1=C(CCC1=O)c1ccccc1	ZINC22_223074646,PC-id_91789479,MCULE-3689297629,EMOLS-id_55687243	336.388	IVFDXBXONFTIOP-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-089081
n12CCCc1nnc2CNC(=O)CC(c1ccccc1)c1ccco1	MCULE-3510194744,EMOLS-id_232869962	336.388	NXRLDFCWYSXHCP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-089082
o1c(C(=O)Nc2n[nH]c3CN(Cc23)CCc2ccccc2)c(cc1)C	SCHEMBL2924376,PC-id_68442805	336.388	QVNXWDVORVPXBV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-089083
O=C(Cc1nc(oc1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319373366	336.388	CVQIKYDOGMTTNN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089084
O=C(CCc1ccc(c2ccccc2)o1)NCc1nnc2n1CCC2	PC-id_47016889,ZINC22_48302795,EMOLS-id_30694560,MCULE-5208206747	336.388	VHAHTVNQCUGFRU-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-089085
O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1nnc2n1CCC2	ZINC22_827802467	336.388	NXRLDFCWYSXHCP-HNNXBMFYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-089086
O=C(C[C@H](c1ccccc1)c1ccco1)NCc1nnc2n1CCC2	ZINC22_827802468	336.388	NXRLDFCWYSXHCP-OAHLLOKOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-089087
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccccn1	PC-id_92109450	336.388	MMXZEQJGMTZABL-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-089088
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccncc1	PC-id_92109447	336.388	WEUDFSOMVQACMV-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-089089
CC(C)(C)c1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324850920	336.389	BCSOLAFALJFCJA-VURMDHGXSA-N	00000000100100000001000010000000000000000000000000000000	25-01-089090
CC(C)Cc1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324861156	336.389	FWRRSQFCMNWMKP-TWGQIWQCSA-N	00000000100100000001000010000000000000000000000000000000	25-01-089091
CC(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)N1CCOCC1	PC-id_134788553	336.389	JOEBXHUUZOONLV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089092
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCCN1CCOCC1	PC-id_134796580	336.389	LITQXVFORMMIHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089093
n12c(=O)c(=Cc3ccc(N(=O)=O)s3)sc1nc(C(C)(C)C)n2	MCULE-1642084450	336.389	BCSOLAFALJFCJA-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-089094
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CC(C)C	MCULE-2009238594	336.389	FWRRSQFCMNWMKP-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-089095
c1(C(=O)NC2CCN(CC2)c2ncccc2C#N)c2CCCc2[nH]n1	EMOLS-id_49870110,MCULE-7889221779,PC-id_77080684,ZINC22_215123530	336.391	XOSLFPKGBNZQCW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-089096
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)cnc(c2ccccc2)n1C	MCULE-2419314817,EMOLS-id_337705159	336.391	TXFCFQRBVMHINU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089097
Cc1cccc(c1)n1nnc(c1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320104407,MCULE-7191052989	336.391	LIHGKULMAHOOPI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089098
Cc1ccc(cc1)n1nnc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318803386	336.391	YADVTDIAZHTBHZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089099
Cc1cccc(c1)n1nnc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318904601	336.391	PASWZAPKPLQYGG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089100
BrCc1ccc(cc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_102851507	337.235	MHEIQWBUIBJZQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089620
Cc1cccc(n2nnc(C(=O)Nc3c4c(nn3C)CCC4)c2C)c1	MCULE-9119770808,ZINC22_65855749,EMOLS-id_98809864	336.391	HEVBUIIZWUOMBQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089101
Cc1cc(C)n(c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)n1	MCULE-7169420572,PC-id_40124228,ZINC22_32889091,EMOLS-id_25654548,CoCoCo_4560447	336.391	QDEALFFENDIDFX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089102
Cc1ncn(c2ccc(NC(=O)[C@H]3Cc4nnc(C)n4C3)cc2)c1C	ZINC22_2325780761	336.391	NWJWNZDBFQNZDI-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089103
Cc1ncn(c2ccc(NC(=O)[C@@H]3Cc4nnc(C)n4C3)cc2)c1C	ZINC22_2325780762	336.391	NWJWNZDBFQNZDI-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089104
Cc1ncn(c2ccc(NC(=O)[C@H]3NCc4c3cnn4C)cc2)c1C	ZINC22_2325795519	336.391	KJAPFQONHRZMCH-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089105
Cc1ncn(c2ccc(NC(=O)[C@@H]3NCc4c3cnn4C)cc2)c1C	ZINC22_2325795520	336.391	KJAPFQONHRZMCH-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089106
Cc1ncnc(C(=O)N2Cc3c(Cn4cccc4)nn(C)c3C2)c1C	ZINC22_1565553994,EMOLS-id_313735383	336.391	IOAGFQXFZDTPNT-UHFFFAOYSA-N	00000010110000100001000010000000000000000000000000000000	25-01-089107
Cc1[nH]nc(c2ccccc2)c1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1875243799	336.391	XYXDFYFRTNCXPC-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089108
Cc1[nH]nc(c2ccccc2)c1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1875243800	336.391	XYXDFYFRTNCXPC-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089109
Cc1nnc2n1C[C@@H](CNC(=O)c1cnc(c3ccccc3)n1C)C2	ZINC22_2100537748	336.391	TXFCFQRBVMHINU-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089110
Cc1nnc2n1C[C@H](CNC(=O)c1cnc(c3ccccc3)n1C)C2	ZINC22_2100537749	336.391	TXFCFQRBVMHINU-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089111
Cc1nn(c(c1)C)c1ccc(cn1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98809933	336.391	VRVFAOYBHYGAFU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-089112
Cc1n[nH]c(c1C(=O)NCC1Cc2nnc(C)n2C1)c1ccccc1	MCULE-6085577737,EMOLS-id_331094802	336.391	XYXDFYFRTNCXPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089113
CCc1c(cnn1c1ccccn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319865167	336.391	SVODTSWCAVUYGH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-089114
CCc1c(cnn1c1ccccn1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-6822786747,EMOLS-id_320102439	336.391	ORFQZVZKNRNNHG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-089115
CCc1nc(nn1c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319800534	336.391	ZWNFTPXUSOCKTJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089116
CCc1[nH]nc(n1)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319338871	336.391	UFXHSAQYNHUILR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089117
CC(C)c1cc(C(=O)N=c2cc3n([nH]2)CCC3)nn1c1ccccn1	ZINC22_1875274682,MCULE-6288548772,EMOLS-id_324066670,PC-id_146105912	336.391	RCNKUDHMNFXUJB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-089118
CCn1ncnc1c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318832452	336.391	KADJAEGIFDYTFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089119
Cn1ccc(n1)Nc1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319785838	336.391	ZPDSUVYQOBYTID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089120
Cn1ccc(n1)Nc1ccccc1NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_319058479	336.391	KGIPEKKEMINIFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089121
NCc1nn2c(c1C(=O)NCc1cccc(c3ncc[nH]3)c1)CCC2	ZINC22_2325857376	336.391	ZKZDXXURSDAEOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089122
Oc1cccc(c1)Nc1nc(NCc2n[nH]c3c2CCC3)cc(n1)C	EMOLS-id_46045843,MCULE-5336731600,PC-id_72866481	336.391	YGXUPBDHIMWUHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089123
O=C(C1NCc2c1c[nH]n2)NCc1ccccc1n1nc(cc1C)C	EMOLS-id_319155416	336.391	ZOJLCOLZRSUWGS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089124
O=C(C1NCc2c1c[nH]n2)N(Cc1cnn(c1)Cc1ccccc1)C	EMOLS-id_319828507	336.391	ZHCNUWSTELHWFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089125
O=C(c1n(C)nc2c1CCC2)NCCn1nnc(c1)c1ccccc1	EMOLS-id_318959156	336.391	GGOQLJVYRCMOGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089126
O=C(c1n[nH]c2c1CCC2)Nc1cccc(c1)CCc1nncn1C	PC-id_139360666,SCHEMBL21212172	336.391	DKPBKMBUXHCXRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089127
O=C(Cc1nnn(c1C)c1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-5301916311,EMOLS-id_320145537	336.391	PVMBJEMXUJBVGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089128
N#Cc1c(NS(=O)(=O)c2cnc3n2CCC3)nc2n1CCS2	MCULE-7446019350,EMOLS-id_102154429,ZINC22_333560773	336.393	KXXFMUNEBUXPST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089129
Fc1cc(CNC(=O)c2sc3c(c2)CN(C3)C(C)C)cc(c1)F	PC-id_53171013	336.399	LGJNYGIGPJDBTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089130
OC1CN(C(C1)c1cc(F)ccc1F)Cc1sc2c(n1)CCC2	PC-id_109975505	336.399	MRNAPQRLQMFDHG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089131
O=C(c1cccc(c1)C(F)(F)C)NCCc1sc2c(n1)CCC2	EMOLS-id_319939492,MCULE-1109778610	336.399	CJHHXZTXDZFDHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089132
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)NC1CC1	PC-id_17377054,MCULE-2055573898,ZINC22_17070713,TIMTEC355778,EMOLS-id_4016418,CoCoCo_6832032	336.406	OIMDPXBKSBROCL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-089133
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCC2)c1C(=O)N	EMOLS-id_4016434,PC-id_17378774,MCULE-3059163436,TIMTEC474679	336.406	UFECHNNGYUEGAX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089134
CCOC(=O)c1c(NC(=O)CN2CCCC2=O)sc2c1CCC2	EMOLS-id_316814693,MCULE-5247393892,ZINC22_952845104	336.406	HLPRNLMFZMZLIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089135
NC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6829248,ZINC22_5725601,PC-id_40558901	336.406	UFECHNNGYUEGAX-DTWKUNHWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089136
NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_40558897,CoCoCo_6829250,ZINC22_5725597	336.406	UFECHNNGYUEGAX-RKDXNWHRSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089137
NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_5725587,PC-id_40558889,CoCoCo_6829247	336.406	UFECHNNGYUEGAX-BDAKNGLRSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089138
NC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_5725591,PC-id_40558893,CoCoCo_6829249	336.406	UFECHNNGYUEGAX-IUCAKERBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089139
O=C(COC(=O)c1cc2c(s1)CCC2)NCC(=O)N1CCCC1	MCULE-4306765483,ZINC22_43832238,EMOLS-id_44493800,PC-id_71943080	336.406	WDDCVPIIIOAGDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089140
O=C(COC(=O)c1cc2c(s1)CCC2)N[C@@H]1CCCCNC1=O	PC-id_94828497,ZINC22_58639945	336.406	GEYUIVDMVACZKO-LLVKDONJSA-N	00000010100000000100000010000000000000000000000000000000	25-01-089141
O=C(COC(=O)c1cc2c(s1)CCC2)N[C@H]1CCCCNC1=O	PC-id_99804031,ZINC22_170621034	336.406	GEYUIVDMVACZKO-NSHDSACASA-N	00000010100000000100000010000000000000000000000000000000	25-01-089142
O=C(COC(=O)c1cc2c(s1)CCC2)NC(=O)NC1CCCC1	MCULE-7315027883,CoCoCo_2840829,EMOLS-id_3550736,PC-id_3633725,ZINC22_4581460	336.406	XZRQXAPELFLBOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089143
O=C(NC1CCCCNC1=O)COC(=O)c1sc2c(c1)CCC2	EMOLS-id_50305045,PC-id_102556085,MCULE-4789146330	336.406	GEYUIVDMVACZKO-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-089144
s1c2CCCc2cc1C(=O)OCC(=O)N1CCC(CC1)C(=O)N	PC-id_45637983	336.406	VTHSCGMGAQUQBC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089145
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(=O)NC1CC1)C	PC-id_8218841	336.406	YZNKBBFQHXSZJO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-089146
s1c2c(CCC2)c(c1NC(=O)C1CC1)C(=O)NCCCC(=O)O	PC-id_82033600	336.406	YZFDRUYYGMYOEN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-089147
s1c2c(CCC2)c(c1NC(=O)C1CC1)C(=O)NC(CC)C(=O)O	PC-id_82033601	336.406	DAEMYFXZYAZMDK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-089148
s1c2c(CCC2)c(c1NC(=O)C1CC1)C(=O)N(CCC(=O)O)C	PC-id_82033602	336.406	JJXIRABIKCIYFN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-089149
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/CC)C)C(=O)N	PC-id_9063309	336.406	NMPVEZICHAXANT-SGDMMICCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089150
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/CC)C)C(=O)N	PC-id_9063310	336.406	NMPVEZICHAXANT-VGANXODHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089151
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCCC1)C(=O)N	PC-id_7717532	336.406	ORGKAVZPLLUBNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089152
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=CCC)C)C(=O)N	PC-id_84919629	336.406	NMPVEZICHAXANT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089153
O=C(c1cc(Oc2ccccc2)ccc1)Nc1sc2c(CCC2)n1	CoCoCo_4164036,EMOLS-id_43971844,MCULE-3224104551,PC-id_9318184,ZINC22_8184611	336.408	MEVDLTXNOILCPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089154
O=C(Nc1ccc(Oc2ccccc2)nc1)c1cc2c(s1)CCC2	PC-id_56799313,ZINC22_65750651,EMOLS-id_37011923,MCULE-1273303119	336.408	MZPGPZQKCKZJGS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-089155
O=C(Nc1nc2c(s1)CCC2)c1ccc(Oc2ccccc2)cc1	PC-id_17401116,EMOLS-id_11901318,MCULE-2052852867,CoCoCo_4164008,ZINC22_9446530	336.408	PFZFSHZZOPJBHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089156
s1c2CCCc2nc1NC(=O)c1c(Oc2ccccc2)cccc1	PC-id_4020651	336.408	CZONSYNVHFCNQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089157
S1Cc2c(noc2NC(=O)C(c2ccccc2)c2ccccc2)C1	PC-id_49719080	336.408	ZKGUYMWTQHTMHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089158
S1Cc2c(noc2NC(=O)Cc2ccc(cc2)c2ccccc2)C1	PC-id_49719098	336.408	XOUOXAABFFNXTC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089159
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)C(=O)C	STOCK6S-27822,EMOLS-id_4767985,PC-id_17588753,MCULE-8878213465,ZINC22_9341884	336.409	DTRUVQWHYNEBOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089160
CC1(C)NC(=O)N(CC(=O)NCCc2nc3CCCc3s2)C1=O	ZINC22_219846946,MCULE-8219387278,EMOLS-id_55641780,PC-id_91773795	336.409	OXYNVRKZLDMBJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089161
CCC1(CC)NC(=O)N(CC(=O)Nc2nc3c(s2)CCC3)C1=O	EMOLS-id_30655883,PC-id_47011485,ZINC22_48252801,MCULE-6777586608	336.409	INKMBDXGJQQKEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089162
CN1C(CC(=O)NCCc2nc3CCCc3s2)C(=O)N(C)C1=O	MCULE-6400464248,PC-id_70784080,EMOLS-id_44747138	336.409	POBULRGNILZUGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089163
CN1C(=O)[C@@H](CC(=O)NCCc2nc3c(s2)CCC3)N(C)C1=O	PC-id_97154090,ZINC22_92046800	336.409	POBULRGNILZUGH-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089164
CN1C(=O)[C@H](CC(=O)NCCc2nc3c(s2)CCC3)N(C)C1=O	ZINC22_92046802,PC-id_97154091	336.409	POBULRGNILZUGH-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-089165
COc1cc(C)c(C)cc1S(=O)(=O)NCc1nnc2CCCn12	MCULE-5801909977,EMOLS-id_316273744,ZINC22_1506427540	336.409	KJABONPKHFDZSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089166
N#Cc1c(NC(=O)C(OCC2CCCCO2)C)nc2n1CCS2	EMOLS-id_99351271	336.409	COBSCGYSGZCOOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089167
O=C([C@@H]1CCCN(C1)C(=O)N)NNC(=O)c1sc2c(c1)CCC2	GD-id_ZINC52539842	336.409	VRYADJCVLIEGDC-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089168
O=C(Nc1c2CSCc2nn1C(C)(C)C)CN1C(=O)CCC1=O	PC-id_121030671	336.409	OZGMERQSAWLICU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089169
c1(NC(=O)Cc2ccc(cc2)c2ccccc2)nnc2SCCn12	CoCoCo_5085684,MCULE-9850120131,EMOLS-id_29274396,PC-id_16820060,ZINC22_9621874	336.411	LMUCDMZJLFXXBB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089170
Cc1ccc(CCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1	EMOLS-id_324907011	336.411	JXSQGWOMFXGEAN-PTNGSMBKSA-N	00000000110000110001000010000000000000000000000000000000	25-01-089171
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCc1ccc(cc1)C	MCULE-4120633010	336.411	JXSQGWOMFXGEAN-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-089172
O=C(Nc1nnc2n1CCS2)C(c1ccccc1)c1ccccc1	PC-id_22582973,ZINC22_17178343,MCULE-8917278890,EMOLS-id_16349479,CoCoCo_2590531	336.411	CCWFXMOWWUQUAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089173
Cc1[nH]nc(n1)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240771	336.413	RWECZRZZGOHMPF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089174
Cn1ccnc1C1CNCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302858403,PC-id_120877094,MCULE-2051342242	336.413	JWPKIRGTYKJVBU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089175
Cn1ccnc1N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226080	336.413	ASJLNLGKTNJITH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089176
Cn1ncc(c1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100211170	336.413	QMSCCSYJSNGIEG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089177
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)Cn1cncn1	EMOLS-id_100581889	336.413	MWVSEQTWTAIGPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089178
O=S(=O)(c1cnc2n1CCC2)N1CCCC(C1)Cn1nncc1	EMOLS-id_100206880	336.413	IWLNRPHMKDGZCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089179
O=S(=O)(c1cnc2n1CCC2)N1CCCC(CC1)n1ccnn1	EMOLS-id_316610855	336.413	NGTFQCQFFDMZLB-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-089180
O=S(=O)(c1cnc2n1CCC2)Nc1ncn(n1)C1CCCCC1	EMOLS-id_97704527	336.413	LMAGXCKZKWSERF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089181
O=S(=O)(c1cnn(c1)CC1CCC1)NCc1nnc2n1CCC2	MCULE-4736594958,EMOLS-id_320236011	336.413	OLNTVQXQGKUNFW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-089182
Cc1sc2c(n1)CN(C2)S(=O)(=O)C1CCC(CC1)C(F)F	EMOLS-id_319190612	336.421	ZUVIDMSTYJNOHR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089183
OC(CNC(c1sc2c(n1)CCC2)C)COc1ccc(cc1)F	PC-id_109908742	336.424	GTOUUIYOTGXJSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089184
CCC(OC(=O)N1Cc2c(C1)cn(c2)C(=O)OC(CC)(C)C)(C)C	PC-id_70250581,SCHEMBL7996860	336.426	CNUNNXQDSQLTPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089185
O=C(NC1CCCCC1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_86065770	336.427	WZATVEVDQVLVQB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-089186
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H]([C@H](CN(CC)CCO)C1)CO	MCULE-5383503598,ZINC22_91635785,EMOLS-id_46058189,PC-id_72883559	336.429	UPECCQLWCGPWLD-CHWSQXEVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089187
C1(CCCN(CCOC)C1=O)(O)CN(C)Cc1c2CCCc2[nH]n1	EMOLS-id_36431026,PC-id_56705753,MCULE-2464494921	336.429	YTXLSYINKPOTRC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089188
c1(C(=O)N(C)C)n(C(C)(C)C)nc2CN(C(=O)OC(C)(C)C)Cc12	MCULE-7811110386,EMOLS-id_324351083	336.429	OAMWWDFCCKCJRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089189
c1(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c(CCC2)n1	PC-id_7189675,EMOLS-id_5522522,MCULE-5166505176,ZINC22_4325546,CoCoCo_5057588	336.429	GLFGPZMIFCCZFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089190
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)n1	PC-id_7254215,CoCoCo_2600316,EMOLS-id_16358721,MCULE-6556283252,ZINC22_4496134	336.429	UIWPSDRABHMSCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089191
c1(NC(=S)NCc2ccco2)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL7814133,Chemmine_18913,TIMTEC462465,ZINC22_2856237,CoCoCo_998058,PC-id_2209544,MCULE-1582972188,EMOLS-id_2003741	336.429	SXQBUZFGXLZTNA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-089192
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)CS(=O)(=O)C	PC-id_26723331,EMOLS-id_181476676,MCULE-3298595502	336.429	FRTWRJDGNVCOEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089193
Cc1cccc(c1)S(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3541085,PC-id_4885052	336.429	UZDQCOGVNCHYTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089194
Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3532680,EMOLS-id_16774348,MCULE-6632520766,PC-id_17532974	336.429	KQXRGNFXQKIMTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089195
Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N	MCULE-3036911148,EMOLS-id_33299160,PC-id_31422504,ZINC22_23917457	336.429	ALLZUYUMHPQNQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089196
CCC1(C)CS(=O)c2c1nc(s2)NC(=O)c1ccccc1O	PC-id_56971368,SCHEMBL10181892	336.429	GHUCKPSDJGERLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089197
CC(c1sc(c(n1)C)C(=O)O)NC(=O)c1sc2c(c1)CCC2	PC-id_120285084	336.429	ROHZNMKNEFUSND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089198
CCOC(=O)c1c(NC(=O)Cc2cscn2)sc2CCCc12	MCULE-9791555163,EMOLS-id_328133500	336.429	AGSRVGSMSKSIMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089199
CCOC(=O)c1sc(NC(=O)c2cc3c(s2)CCC3)nc1C	PC-id_17401858,ZINC22_9453883,MCULE-3911326179,CoCoCo_3340429,EMOLS-id_43848599	336.429	JKHTWUZZLCBCAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089200
CC(=O)NC(CCCCNC1CCn2c1c(cc2)CO)C(=O)NC	SCHEMBL15132882,PC-id_89707654	336.429	AUQXDECVCXRBBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089201
CNS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_8056994,PC-id_9188322	336.429	SGTQSHZTQZACDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089202
COCCN1CCC[C@@](O)(CN(C)Cc2n[nH]c3c2CCC3)C1=O	ZINC22_67675435	336.429	YTXLSYINKPOTRC-QGZVFWFLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089203
COCCN1CCC[C@](O)(CN(C)Cc2n[nH]c3c2CCC3)C1=O	ZINC22_67675436	336.429	YTXLSYINKPOTRC-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089204
CS(=O)(=O)N1CCc2sc(cc12)C(=O)NCc1ccccc1	ZINC22_96264586,PC-id_97524525,EMOLS-id_44379020	336.429	FOQZBNSVFDLXRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089205
CS(=O)(=O)Nc1ccccc1NC(=O)c1cc2c(s1)CCC2	MCULE-3078447425,EMOLS-id_33304121,PC-id_32202190,ZINC22_24889802	336.429	XKWBJYXSUWXDHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089206
NC(=O)c1c(sc2c1CCC2)NS(=O)(=O)Cc1ccccc1	PC-id_35280974,CoCoCo_6400910	336.429	BJPNQZNNEMYQGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089207
NS(=O)(=O)c1cccc(CNC(=O)c2cc3c(s2)CCC3)c1	MCULE-2314628105,ZINC22_25270299,EMOLS-id_44495460,PC-id_32564078	336.429	LHXHAHIVUABPJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089208
NS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_6997224,CoCoCo_3367176,PC-id_4825828,MCULE-6595184093,EMOLS-id_11781911	336.429	KLGAMEIPKKKHJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089209
NS(=O)(=O)Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	PC-id_145890386,ZINC22_299683353,MCULE-9788566865,EMOLS-id_320348951	336.429	YEBYFJYWEUHFOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089210
O=C(c1cccc(c1)NS(=O)(=O)C)NC1Cc2c(C1)ccs2	SCHEMBL2456736,PC-id_21955866	336.429	WHELJTFHKLKUMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089211
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C	PC-id_51170109	336.429	HXAIGLMTEHKJRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089212
s1c2CCCc2cc1C(=O)NNS(=O)(=O)Cc1ccccc1	PC-id_8516061	336.429	ZLOQJFTWFBYJLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089213
s1c2CCCc2nc1NC(=O)c1c(ccc(S(=O)(=O)C)c1)C	PC-id_33039439	336.429	PXJUQADDFRMQHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089214
c1(cn2c(CCC2)n1)C(=O)N1CCN(CC1)CC=Cc1ccccc1	MCULE-1427078360	336.431	APQACJCOIIFJHP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-089215
c1(C(=O)N2CCN(CC2)CC=Cc2ccccc2)c2CCCc2[nH]n1	MCULE-4977993340	336.431	RGASRWHGJCAYEB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-089216
Cc1cccc(c1)C1=CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420325	336.431	GAAMFJVXCZEHSX-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-089217
O=C(N1CCN(C/C=C/c2ccccc2)CC1)c1cn2CCCc2n1	EMOLS-id_321298134	336.431	APQACJCOIIFJHP-XBXARRHUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-089218
O=C(N1CCN(C/C=C/c2ccccc2)CC1)c1n[nH]c2CCCc12	EMOLS-id_179744649,PC-id_110388859	336.431	RGASRWHGJCAYEB-VMPITWQZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-089219
c1(NC(=O)CSc2nccn2C)sc2c(CCC2)c1C(=O)N	EMOLS-id_1363081,CoCoCo_228660,TIMTEC527311,STOCK3S-12971,PC-id_798494,MCULE-3283981459,ZINC22_303697,BAS-02052702,SCHEMBL8290728	336.432	WLXJKZBILFEJPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089220
c1(NC(=S)NCc2cc[nH]n2)sc2c(CCC2)c1C(=O)OC	PC-id_5153974,CoCoCo_6801410,EMOLS-id_4016562,ZINC22_5929146,MCULE-8549577549,TIMTEC412967,CoCoCo_6801411	336.432	QUIYDAQTGYLBKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089221
Cc1ccc(cc1)S(=O)(=O)N/N=Cc1c(C)nc2n1CCS2	GD-id_ZINC17121215,CoCoCo_5595425	336.432	DIESLGVPAFDSSD-DHDCSXOGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089222
Cc1ccc(cc1)S(=O)(=O)N/N=C/c1c(C)nc2n1CCS2	LI_185192,PC-id_9555391,CoCoCo_5595426,NSC315230	336.432	DIESLGVPAFDSSD-OQLLNIDSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089223
s1c2CCCc2c(c1NC(=O)CSC1NCCC(=O)N1)C#N	PC-id_78340253	336.432	BZCMDEXCSAMUPN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089224
s1c2c(CCC2)c(c1NC(=S)Nc1nn(cc1)C)C(=O)OC	PC-id_17268560	336.432	HZOBVRWPUOBVOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089225
S1CCn2c(c(nc12)C)C=NNS(=O)(=O)c1ccc(cc1)C	PC-id_329970	336.432	DIESLGVPAFDSSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089226
CC(C)CN1CCO[C@@H](CNC(=O)NCc2nnc3n2CCC3)C1	PC-id_95152911,ZINC22_65564838	336.433	RXJZRAVKMGDYTC-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089227
CC(C)CN1CCO[C@H](CNC(=O)NCc2nnc3n2CCC3)C1	ZINC22_65564837,PC-id_95152910	336.433	RXJZRAVKMGDYTC-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089228
CC(CN1CCOCC1)CNC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_99507452	336.433	CNFWAYRCNUDIFY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089229
CC(CN1CCOC(C1)CNC(=O)NCc1nnc2n1CCC2)C	PC-id_53515276,MCULE-8493423881,EMOLS-id_35713076	336.433	RXJZRAVKMGDYTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089230
CCNC(=NCc1nnc2n1CCC2)NCCCOC1COCC1	PC-id_109677859	336.433	QXZBYPSWIZJQMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089231
CN=C(NCc1nnc2n1CCC2)NCCCOCC1CCCO1	PC-id_111020535	336.433	PWTIAVJJTUWISB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089232
O1CCN(C(C(C)C)CNC(=O)NCc2n3CCCc3nn2)CC1	EMOLS-id_35714022,PC-id_53500264,MCULE-1098335117	336.433	UFRPABBYXKUGFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089233
O=C(NCc1nnc2n1CCC2)NC[C@H](N1CCOCC1)C(C)C	PC-id_94890542	336.433	UFRPABBYXKUGFW-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089234
O=C(NCc1nnc2n1CCC2)NC[C@@H](N1CCOCC1)C(C)C	PC-id_95126429	336.433	UFRPABBYXKUGFW-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089235
Cc1nccn1c1ccc([C@@H](C)NCCc2nnc3n2CCC3)cc1	ZINC22_95419913,PC-id_97229720	336.434	REHNAEIIHRCXEH-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089236
Cc1nccn1c1ccc([C@H](C)NCCc2nnc3n2CCC3)cc1	ZINC22_95419914,PC-id_97229721	336.434	REHNAEIIHRCXEH-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089237
Cc1nn(c(c1)C)c1ccc(cc1)CCNC1CC(n2c1ncn2)C	MCULE-9411669753,EMOLS-id_320101965	336.434	WGBPGWPZCQZWLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089238
Cc1nn(c(c1CNC1CC(n2c1ncn2)C)C)Cc1ccccc1	EMOLS-id_279081455	336.434	KHEYLGQIRFYGSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089239
CC(c1ccc(cc1)n1ccnc1C)NCCc1nnc2n1CCC2	MCULE-1671456554,EMOLS-id_48266079,PC-id_75382604	336.434	REHNAEIIHRCXEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089240
CC(C)n1cc(CNc2ccc(Cc3nnc4n3CCC4)cc2)cn1	MCULE-8965196744,ZINC22_191652502,PC-id_99834112,EMOLS-id_53797655	336.434	QYCRSPJJYSSZIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089241
CN=C(N1CCC(=CC1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_119131256	336.434	QKJWCCZWXZBVIP-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-089242
s1nc(SCC)nc1N/N=C/1c2n(nc(n2)C(C)C)N=C1C	PC-id_59913541	336.439	AXSMYBOJKGYFAJ-NVNXTCNLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-089243
s1nc(SCC)nc1NN=C1c2n(nc(n2)C(C)C)N=C1C	PC-id_72594710	336.439	AXSMYBOJKGYFAJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-089244
s1nc(SC)nc1N/N=C
/C(=Nn2nc(nc12)C)C(C)(C)C	PC-id_59913527	336.439	GRPMUVGHUZOUTH-CHHVJCJISA-N	00000011100000000001000010000000000000000000000000000000	25-01-089245
s1nc(SC)nc1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C	PC-id_72594696	336.439	GRPMUVGHUZOUTH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-089246
c1(NC(=O)C2CCC2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388252,MCULE-4598955396	336.449	LLPNDKVSCRMDSJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-089247
c1(NC(=O)CCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334339233,MCULE-1734419380	336.449	LFDPHLARCNNRMN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089248
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_43842907,MCULE-5897900077,EMOLS-id_9995143	336.449	SLTCZUBVDHFRNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089249
c1(NC(=O)CN2CCCCC2CC)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130955,PC-id_84228684,MCULE-4555562617	336.449	AEYWFFYBCQVVOT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089250
c1(NC(=O)CN2CCC(CC2)C)sc2c(CCC2)c1C(=O)OC	SPECS-id_AF-399/15336021,MCULE-8629651854,CoCoCo_6880315,EMOLS-id_4271117,CoCoCo_6880316,PC-id_705140,ZINC22_89999	336.449	SYZRXCPKEKVGRK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089251
c1(NC(=O)CN2CCCCC2)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL5671629,ZINC22_4150899,PC-id_867807,MCULE-6980916323,EMOLS-id_2366897,CoCoCo_678595,SCHEMBL6202090	336.449	YXDCEPCXSHTKJK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089252
c1(NC(=O)CN2C(C)CCCC2C)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130964,MCULE-8915705355,PC-id_84228686	336.449	COOMUNVREOPOSS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089253
c1(NC(=O)CN2CCCC(C)C2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_30081362,SPECS-id_AO-476/43417556,MCULE-4272744525,PC-id_22197741	336.449	WIFPAIPAOSOCDO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089254
c1(NC(=O)CN2CC(C)CC(C)C2)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130952,PC-id_84228683,MCULE-5011545490	336.449	JYSIEBUMDRNSMF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089255
c1(NC(=O)CNC2CCCCC2)sc2c(CCC2)c1C(=O)OC	ZINC22_36646062,SPECS-id_AO-476/43417053,MCULE-3958471499,PC-id_44216486,EMOLS-id_30081150,CoCoCo_6964816	336.449	CJUMBCBHTOJENJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089256
c1(NC(=O)CN(C)C2CCCCC2)sc2c(CCC2)c1C(=O)O	MCULE-2047945901,PC-id_28866148,EMOLS-id_179130985	336.449	NNUBWNVVQQUIFP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089257
CC(C)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	CoCoCo_6376975,ZINC22_27793851,PC-id_35180924	336.449	SLTCZUBVDHFRNA-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-089258
CC(C)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	PC-id_35180926,CoCoCo_6376976,ZINC22_27793854	336.449	SLTCZUBVDHFRNA-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089259
CC(CNC(=O)C=C1CSc2n1cc(c2C(=O)OC(C)C)C)C	PC-id_139819488	336.449	GXMVYZJEFKGPLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089260
CCN(C1CCN(CC1)C(=O)c1sc2c(c1)CCC2)CC(=O)O	PC-id_120439264	336.449	XVKYSFNANZYUMP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089261
CCNC(=O)NC1CCC(CC1)OC(=O)c1sc2c(c1)CCC2	MCULE-7892645037,EMOLS-id_44549244	336.449	WFQCSEQJCQVBFC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089262
CCOC(=O)c1c(NC(=O)CCC2CCCN2)sc2CCCc12	MCULE-6749934519,EMOLS-id_328243317	336.449	VUYCZWYDLHNTSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089263
CCOC(=O)c1c(NC(=O)CN2CCC(C2)C)sc2c1CCC2	PC-id_86879349	336.449	QRIKMSOMYDBUOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089264
CCOC(=O)C1(NC(=O)c2cc3c(s2)CCC3)CCN(C)CC1	EMOLS-id_48302990,ZINC22_95451227,PC-id_75395528,MCULE-1663738959	336.449	UPYDCZZNMJJXFB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089265
COC(=O)c1c(NC(=O)CN2CCCCC2C)sc2c1CCC2	MCULE-7692550168,EMOLS-id_3694421,PC-id_16347707	336.449	JWZUSYLXFMXPDO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089266
COC(=O)c1c(NC(=O)CN2CCCCCC2)sc2c1CCC2	ZINC22_3349286,MCULE-6287907630,EMOLS-id_3137483,CoCoCo_3562680,PC-id_2466296	336.449	IKDCCPOKPBJVNN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-089267
COC(=O)c1c(NC(=O)CN2CCCC[C@@H]2C)sc2c1CCC2	CoCoCo_3572714,CoCoCo_3572716,PC-id_9399699,ZINC22_8271487	336.449	JWZUSYLXFMXPDO-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-089268
COC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc2c1CCC2	ZINC22_8271477,CoCoCo_3572717,CoCoCo_3572715,PC-id_9399690	336.449	JWZUSYLXFMXPDO-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089269
COC(=O)c1c(NC(=O)CN2CCC[C@H](C)C2)sc2c1CCC2	CoCoCo_6964935,PC-id_25985592,CoCoCo_6964933,ZINC22_14193687	336.449	WIFPAIPAOSOCDO-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-089270
COC(=O)c1c(NC(=O)CN2CCC[C@@H](C)C2)sc2c1CCC2	ZINC22_14193686,PC-id_25985590,CoCoCo_6964936,CoCoCo_6964934	336.449	WIFPAIPAOSOCDO-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089271
O=C(c1cc2c(s1)CCC2)N1CC[C@](O)(CN2CCOCC2)C1	ZINC22_257292223	336.449	QKOBKMNDVVIWRD-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089272
O=C(c1cc2c(s1)CCC2)N1CC[C@@](O)(CN2CCOCC2)C1	ZINC22_257292224	336.449	QKOBKMNDVVIWRD-QGZVFWFLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089273
O=C(N1Cc2c(C1)c(sc2)C(=O)N1CCCCC1)OC(C)(C)C	PC-id_139679527	336.449	WKSGWMYKKHZCIC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089274
O=C(N1CCC(C1)(O)CN1CCOCC1)c1sc2c(c1)CCC2	BDE-32165582	336.449	QKOBKMNDVVIWRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089275
O=C(N1CCC(CC1)Cc1cc2c(s1)C(=O)NC2)OC(C)(C)C	SCHEMBL5250664,PC-id_21078308	336.449	JJLADBSBFCIFPD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089276
OC(=O)CN(C1CCCN(CC1)C(=O)c1sc2c(c1)CCC2)C	PC-id_120440492	336.449	AIJYTZZIORDHQB-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-089277
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(=O)OC(C)(C)C	PC-id_39856663	336.449	SCWXIASOQNMAJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089278
s1c2c(CCC2)c(c1NC(=O)C(N1CCCC1)C)C(=O)OCC	PC-id_10520877	336.449	GYYVKMJKHGCELF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089279
s1c2c(CCC2)c(c1NC(=O)CN(C1CCCC1)C)C(=O)OC	PC-id_51282003	336.449	WXLPQDSPBGNLIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089280
s1c2c(CCC2)c(c1NC(=O)NC1CCCCC1)C(=O)OCC	PC-id_3653949	336.449	MYMZXJOPPBIJQK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089281
c1(ccccc1C1CCCC1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1142614768,EMOLS-id_328263213	336.451	LVGPKZDNYMXXDD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-089282
c1(NC(=O)C2(CCCC2)c2ccccc2)sc2c(CCC2)c1C#N	PC-id_17148236,MCULE-3018334799,SPECS-id_AN-153/I291140,CoCoCo_6449706,EMOLS-id_7691424,ZINC22_10372811	336.451	MOWHFQWDXVUKQL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-089283
CC(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327823711	336.451	BSUVBGRBUKSTBX-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089284
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(cc1)C(C)C	MCULE-3951150908,PC-id_924838	336.451	BSUVBGRBUKSTBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089285
O=C(c1cc(n(c1C)c1ccccc1)C)NC1Cc2c(C1)ccs2	SCHEMBL2461640,PC-id_67417214	336.451	AWNMLPLGNRVDLS-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-089286
c12SCCn1cc(CNCC1(CCCN(CC3CC3)C1=O)O)n2	MCULE-6749193985,EMOLS-id_20668557,PC-id_45232890	336.452	WHHOLGWWTLHZOT-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-089287
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)C(C)C	EMOLS-id_4769555,ZINC22_13629688,STOCK6S-28783,PC-id_17589064,MCULE-1274469936	336.452	OYNBGFMTYWJNSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089288
CC(C1C(=O)NCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102002148	336.452	NQPNJMJNFSOPBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089289
CCCC1C(=O)NCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005631	336.452	ZUSYBMDUPYJPRN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089290
CC(=CC(=O)NCCc1cn2c(n1)SCC2)CN1CCOCC1	EMOLS-id_278779208	336.452	FXSXCTGELPEGGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089291
CC(CN1CCCC1=O)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000144	336.452	PAYBHROFKQUDCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089292
CCC(=O)N1CCC(C1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005487	336.452	GBJCFTCJMOCVLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089293
CCC(=O)N1CCCC(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99821029	336.452	QVYCGZFSOSJTRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089294
CCN1CCCN(CC1=O)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007272	336.452	KOJVPDQYXYPALB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-089295
CCN1CCN(CC(=O)Nc2c(C(=O)N)c3c(CCC3)s2)CC1	PC-id_1536638,CoCoCo_3564345,MCULE-2273787628,EMOLS-id_3062447,ZINC22_21548817,CoCoCo_3564344	336.452	CXRFTNIETXPQQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089296
CC(=O)N1CCN(C(=O)N[C@H](C)c2nc3c(s2)CCC3)[C@H](C)C1	ZINC22_568965697	336.452	SBQGPTVWRCJSBZ-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089297
CC(=O)N1CCN(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)[C@H](C)C1	ZINC22_568965698	336.452	SBQGPTVWRCJSBZ-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-089298
CN(CC(=O)N1CCc2c1cc(s2)C(=O)N1CCN(CC1)C)C	PC-id_97524461	336.452	ZOFCIKYMLFHLEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089299
O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1cn2c(n1)SCC2	PC-id_42520315,ZINC22_12307054,CoCoCo_1521997	336.452	WHHOLGWWTLHZOT-MRXNPFEDSA-N	00100010100010000001000010000000000000000000000000000000	25-01-089300
O=C1N(CC2CC2)CCC[C@]1(O)CNCc1cn2c(n1)SCC2	PC-id_42520318,CoCoCo_1521998,ZINC22_12307056	336.452	WHHOLGWWTLHZOT-INIZCTEOSA-N	00100010100010000001000010000000000000000000000000000000	25-01-089301
O=C(N1CCC(C1)C1COCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99859277	336.452	LBCHQDMKRNTIJF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-089302
O=C(N1CCCN(CC1)C(=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000000	336.452	ZPRLEYZMLHPCLP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-089303
Cc1cc(Br)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_104852548	337.235	RVSKFUOFNSKXBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089621
O=C(N1CCN(C(=O)C1)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005763	336.452	ABWKZBXYZVYVLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089304
O=C(N1CCOCC1)N1CCN(Cc2nc3c(s2)CCC3)CC1	MCULE-3041288619,EMOLS-id_48812741,PC-id_75471885,ZINC22_95986562	336.452	JVAMGVFVFDRLOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089305
O=C(NC1CCN(C1=O)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002142	336.452	BCAPOSGVRVCROP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089306
O=C(Nc1n(C)nc2c1CCC2)CSCC(=O)N1CCCCC1	EMOLS-id_98810563	336.452	USYHCPXEHUVFCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089307
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)C(=O)C	EMOLS-id_101999976	336.452	GBERTMHJGPPCKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089308
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CC(=O)N(C1)C(C)C	EMOLS-id_102003561	336.452	QLNMRFTUWSPCEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089309
O=C(N[C@H](C(=O)N1CCCC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008850	336.452	DRZLCDSJQDJKSK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-089310
s1c2c(CCC2)c(C(=O)N2CCNCC2)c1NC(=O)CN(C)C	PC-id_39163011	336.452	YULGKDKYZIKFQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089311
s1c2CCCc2nc1NC(=O)CCNC(=O)NC1CCCCC1	PC-id_33041044	336.452	RJTASPRAEPROQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089312
S1Cc2c(NC(=O)C3CCCC3)n(nc2C1)CC(=O)NCCC	PC-id_44052861	336.452	SJOZUECSPWBUGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089313
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCCCC1	PC-id_7685561	336.452	RJMYZPOXBSMGEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089314
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NC1CCCC1	PC-id_7685500	336.452	ORAGQCYEHFKTHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089315
c1(NC(=O)CSc2nnc(C)s2)sc2c(CCC2)c1C#N	EMOLS-id_2568114,MCULE-9579311785,CoCoCo_3127691,Chemmine_60209,ZINC22_2475406,PC-id_3900071	336.456	MFQLOKPYYXYNAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089316
CC1CCCCC1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328212853,MCULE-3551014957	336.471	PSYJYSVOYDKFFP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-089317
CC1CCCC(C)N1C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2810330011,EMOLS-id_328336543	336.471	PLPWEJDSOGCMMM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-089318
CC1CC(C)CN(C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7609052984,EMOLS-id_328336028	336.471	CIOYTKBJCATQAA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-089319
CCC1CCCCN1C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328337564,MCULE-4154594988	336.471	QDAAVTSURZIILA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-089320
CN(C1CCCCC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9234938106,EMOLS-id_328336793	336.471	ZEQIOTQTSWEMCZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-089321
CN(CC1CCCC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328341137,MCULE-7851846812	336.471	KEKJADAGHGLOHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089322
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCCCCC1	EMOLS-id_328343185,MCULE-3218854855	336.471	FBAWTCYYWUEGFK-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-089323
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCCCCC1	EMOLS-id_328214143,MCULE-9303243051	336.471	MSVCHXUCHOTTIY-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-089324
c1(NC(=O)CS(=O)C2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_320676462,MCULE-2183507913	336.472	OBAHIHMPYLSMKV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089325
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nc2CCCc2s1	EMOLS-id_181478240,MCULE-9554125930,PC-id_84563735	336.472	AYGUHCQTLUJIFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089326
CS(=O)(=O)CC(c1ccccc1)NCc1nc2c(s1)CCC2	MCULE-1644208345,PC-id_86793634,EMOLS-id_49943474	336.472	NJSPWZXQGGWYLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089327
CS(=O)(=O)C[C@H](NCc1nc2c(s1)CCC2)c1ccccc1	ZINC22_97379070,PC-id_97882086	336.472	NJSPWZXQGGWYLL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089328
CS(=O)(=O)C[C@@H](NCc1nc2c(s1)CCC2)c1ccccc1	ZINC22_97379071,PC-id_97882087	336.472	NJSPWZXQGGWYLL-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089329
N#Cc1c(NC(=O)C(SC2CCOC2C)C)sc2c1CCC2	EMOLS-id_98022287	336.472	QEWVOZWHRHTMIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089330
N#Cc1c(NC(=O)C(SC2CCOCC2)C)sc2c1CCC2	EMOLS-id_98070415	336.472	MIBKTUAZGZRCRA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089331
O=C(N1CSCC1C(=O)NCC1CC1)c1sc2c(c1)CCC2	PC-id_71934814,EMOLS-id_45644835,MCULE-2022517316	336.472	WRYBAYGNHYNQST-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-089332
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[NH+]1CCCCCCC1	PC-id_8583838,GD-id_ZINC07486861	336.472	SOWVEQDLSOBIEO-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-089333
O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cc2c(s1)CCC2	PC-id_97076465,ZINC22_89765018	336.472	WRYBAYGNHYNQST-GFCCVEGCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-089334
O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cc2c(s1)CCC2	PC-id_97076466,ZINC22_89765019	336.472	WRYBAYGNHYNQST-LBPRGKRZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-089335
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCC(CC1)C)C)C(=O)N	PC-id_9444090	336.472	OXZPKADDTVJJJH-NSHDSACASA-O	00000010100010000000000010000000000000000000000000000000	25-01-089336
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCC(CC1)C)C)C(=O)N	PC-id_9444092	336.472	OXZPKADDTVJJJH-LLVKDONJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089337
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCCCCC1)C)C(=O)N	PC-id_9249959	336.472	IWAKZUMVKKGGRL-NSHDSACASA-O	00000010100000000100000010000000000000000000000000000000	25-01-089338
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCCCCC1)C)C(=O)N	PC-id_9249961	336.472	IWAKZUMVKKGGRL-LLVKDONJSA-O	00000010100000000100000010000000000000000000000000000000	25-01-089339
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1C[C@@H](CCC1)C)C)C(=O)N	PC-id_51724300	336.472	ANGDBJSVKMWXRC-GHMZBOCLSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089340
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1C[C@@H](CCC1)C)C)C(=O)N	PC-id_9275616	336.472	ANGDBJSVKMWXRC-MNOVXSKESA-O	00000010100010000000000010000000000000000000000000000000	25-01-089341
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1C[C@H](CCC1)C)C)C(=O)N	PC-id_9275618	336.472	ANGDBJSVKMWXRC-QWRGUYRKSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089342
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CC(CCC1)C)C)C(=O)N	PC-id_75750532	336.472	ANGDBJSVKMWXRC-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089343
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CC(C1)C)C)C(=O)N	PC-id_84875028	336.472	WFYQUZOSUIYGSV-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089344
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCC(CC1)C)C)C(=O)N	PC-id_85010326	336.472	OXZPKADDTVJJJH-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089345
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCCCCC1)C)C(=O)N	PC-id_84963444	336.472	IWAKZUMVKKGGRL-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-089346
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](C[C@@H](C1)C)C)C(=O)N	PC-id_8931043	336.472	WFYQUZOSUIYGSV-PHIMTYICSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089347
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](C[C@@H](C1)C)C)C(=O)N	PC-id_8931046	336.472	WFYQUZOSUIYGSV-QWRGUYRKSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089348
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](C[C@H](C1)C)C)C(=O)N	PC-id_8931048	336.472	WFYQUZOSUIYGSV-GHMZBOCLSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089349
s1c2c(CCC2)c(c1NC(=S)N(CC=C)CC=C)C(=O)OC	PC-id_19653109	336.472	GXABOUAXEIMQDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089350
c1(CN(C)C(=O)Cc2csc(SCC)n2)[nH]nc2CCCc12	EMOLS-id_32224656,ZINC22_55211185,PC-id_50963322,MCULE-5276201672	336.475	LCHQZUOGWFONRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089351
c1(NC(=O)C(CCSC)n2cccc2)n(C)nc2CSCc12	EMOLS-id_93421078,MCULE-9603035104,PC-id_121239109	336.475	BXBFNJSOTZLATR-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-089352
c1(NC(=O)[C@@H](CCSC)n2cccc2)n(C)nc2CSCc12	MCULE-4077339285,STOCK7S-56697,EMOLS-id_104680162,PC-id_121542596,ZINC22_263587080	336.475	BXBFNJSOTZLATR-CYBMUJFWSA-N	00000010110000000001000010000000000000000000000000000000	25-01-089353
Cc1ncc(CN(C)C(=O)Nc2nc3c(s2)CCC3(C)C)s1	ZINC22_333131979,MCULE-1503832852,EMOLS-id_102000126	336.475	BCCSIUILBHTKBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089354
CC(C)c1ncsc1NC(=O)NCCc1nc2c(s1)CCC2	ZINC22_931665651,PC-id_146139439	336.475	KDCIVWNFVVYMSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089355
CC(C)c1n[nH]c(=S)n1CCNC(=O)c1cc2c(s1)CCC2	PC-id_95935143,ZINC22_74261214,EMOLS-id_50330358,MCULE-9006015270	336.475	DIVOZYMEPRKBDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089356
CSCC[C@@H](C(=O)Nc1c2c(nn1C)CSC2)n1cccc1	ZINC22_575443165	336.475	BXBFNJSOTZLATR-ZDUSSCGKSA-N	00000010110000000001000010000000000000000000000000000000	25-01-089357
O=C(c1cnc(s1)C(C)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99842540	336.475	ZOIFNCVKACIKGU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089358
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1sc(nc1C)C	EMOLS-id_102003603	336.475	JEWQBKJIQWNVRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089359
O=C(N(Cc1scnc1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002055	336.475	NLQHSNQJEUXVAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089360
c1(C(=O)NCCc2sc3c(CCC3)n2)sc(nc1C)NCC	ZINC22_223833647,EMOLS-id_55709502,PC-id_91797030,MCULE-1009011137	336.476	AKSKJJASGSULTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089361
CCNC(=NCc1nnc2n1CCC2)NCC(CCC)(CCC)O	PC-id_109515169	336.476	RSWOWRYBQJKZMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089362
CCNC(=NCc1nnc2n1CCC2)NCCC(C(C)C)OCC	PC-id_111718368	336.476	QTDWSWYOZMCIHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089363
OCCC(CC(C)C)CNC(=NCc1nnc2n1CCC2)NCC	PC-id_111715386	336.476	AHQBRPHJGIHOGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089364
c12SCCn1cc(CNc1cc(N)nc(SCCCC)n1)n2	ZINC22_95371403,EMOLS-id_46624336,MCULE-3548598802,PC-id_72886758	336.479	PNWXTFFGTLFECA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089365
c1(NC(=O)CCCCCCCC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334333906,MCULE-8396767409	336.492	FMXGZSJWTUOEFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089366
CC1(CC(CC(N1)(C)C)NC(=O)c1c(c2c(s1)CCC2)OC)C	PC-id_91956543	336.492	HXXNXPNCGKTZRL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089367
CCCCCCCCNN1C(=O)c2c(C1=O)c(sc2)C(C)(C)C	SCHEMBL18950093	336.492	WPINYKFDFQULCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089368
OCC1(NCC(C)C)CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_316711863	336.492	QYWJQIYYNWDSPP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089369
O=C(N1CCCC1CNCc1sc2c(c1)CCC2)OC(C)(C)C	PC-id_106638089	336.492	CYCOZWHWKOVWMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089370
O=C(OC(C)(C)C)NC1CCC(C1)NCc1sc2c(c1)CCC2	PC-id_103719834	336.492	LKASFQFAGKVYPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089371
c1(NC(=O)CC2CC(C)(C)NC(C)(C)C2)n(C)nc2CSCc12	MCULE-7047805719,EMOLS-id_316175612,PC-id_134709342,ZINC22_1529174967	336.495	YVWGEEXSUZNUTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089372
CC(C1CCCN(CC1)C(=O)NCCc1nc2n(c1)CCS2)C	EMOLS-id_99886757	336.495	AZBSHVUKSVMSLX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-089373
CC(C1(C)CCN(CC1)C(=O)NCCc1nc2n(c1)CCS2)C	EMOLS-id_99963216	336.495	FTKKYSLJFIRSAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089374
CCC1(N(C)C)CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1	ZINC22_640018165,MCULE-9775080141,PC-id_136559187,EMOLS-id_316943969	336.495	UMYCJJBTRBGTMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089375
CC(C)[C@H](CNC(=O)c1nc2c(s1)CCC2)N1CCN(C)CC1	ZINC22_416154581,PC-id_164638829	336.495	BAKNFOBJMOVCSN-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089376
CC(C)[C@@H](CNC(=O)c1nc2c(s1)CCC2)N1CCN(C)CC1	ZINC22_416154588	336.495	BAKNFOBJMOVCSN-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089377
CC(C(C(=O)NCCc1cn2c(n1)SCC2)N1CCCCC1)C	EMOLS-id_99893903	336.495	DOLYAJUOXIWFEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089378
CCN(CC)[C@@H]1CCN(C(=O)NCCc2nc3c(s2)CCC3)C1	ZINC22_926581296	336.495	MLSFDRYUDYJVOU-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089379
CCN(CC)[C@H]1CCN(C(=O)NCCc2nc3c(s2)CCC3)C1	ZINC22_926581297	336.495	MLSFDRYUDYJVOU-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089380
CN1CCC(CC1)(C)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005757	336.495	UINPYIHGKZVYMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089381
CN1CCN(CC1)C(C(C)C)CNC(=O)c1sc2c(n1)CCC2	MCULE-6298556917,EMOLS-id_316915084	336.495	BAKNFOBJMOVCSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089382
CN(C(=O)NCCc1nc2n(c1)CCS2)C1CCC(CC1)(C)C	EMOLS-id_99902970	336.495	XLTRUMGFZZHLFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089383
O=C(N1CCCC(C1)C(C)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_100142487	336.495	YJTJBMHQKDFGDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089384
O=C(N1CCC(CC1)C(C)(C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_99855068	336.495	SQESILMFWWRZLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089385
O=C(N1CC(C)(C)CC(C1)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99889934	336.495	UOYYNONWYPCTHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089386
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)C(C)C	EMOLS-id_101999952	336.495	NZWFWSGGGQXIOB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089388
CCNC(=NCc1nnc2n1CCC2)N1CCSC(C1)C(C)C	PC-id_109565399	336.499	HAPBYUGNYCWUQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089389
O=C(C1CCc2c1ccs2)N1CCSCC1CN1CCCC1	PC-id_18914959,SCHEMBL8900541	336.515	BDRWWQNIMXBMSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089390
Clc1sc2c(c1)C(CC2)Nc1cc(Cl)c(c(c1)Cl)F	PC-id_107572566	336.64	JMMKAURFMFJSFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089391
Clc1sc2CCC(Nc3c(Cl)cc(F)cc3Cl)c2c1	PC-id_83076481	336.64	NKPDEVLJLHPHBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089392
O=C(NCc1nnc2n1CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC22_43331405,PC-id_52189526,MCULE-2524107642,EMOLS-id_44109821	336.734	ZNBIDSLRGOPHEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089393
O=C(N=c1cc2n([nH]1)CCC2)C(=O)NCc1c(F)cccc1Cl	MCULE-5440434378,ZINC22_1875275415,EMOLS-id_324066404,PC-id_146105816	336.749	OWHWZUKSCGMMTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089394
CCc1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324845289	336.754	ZRYPBSUORUBVEF-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-089395
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CC	MCULE-8774982213	336.754	ZRYPBSUORUBVEF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089396
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)N)c2=O	MCULE-3320933506	336.754	FCKBINMSDFEWDR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089397
NC(=O)COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O	ZINC22_256027829,PC-id_117588190,EMOLS-id_190367230	336.754	FCKBINMSDFEWDR-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089398
CCOc1c(C)n2c(c1[N+](=O)[O-])N(CC2)Cc1ccc(nc1)Cl	SCHEMBL14646147,PC-id_71518119	336.773	ZGPKXEVBQDKKGK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089399
Clc1ccc(CN(C[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)cc1	PC-id_69482137,SCHEMBL5545571	336.773	QIVVDODKDAEXEM-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089400
Clc1ccc(CN(CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)cc1	PC-id_69482139,SCHEMBL5545578	336.773	QIVVDODKDAEXEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089401
Clc1cc(CN(C[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)ccc1	PC-id_69479966,SCHEMBL5537914	336.773	ARGWLSHBJZDUFI-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089402
Clc1cc(CN(CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)ccc1	SCHEMBL5537922,PC-id_69479971	336.773	ARGWLSHBJZDUFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089403
COc1cc(C(=O)NCc2nnc3n2CCC3)cc(Cl)c1OC	CoCoCo_4560397,MCULE-8966259225,PC-id_32072510,EMOLS-id_18865063,ZINC22_24756883	336.773	IFHBWHZKNXXEHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089404
COCCOc1c(cccc1Cl)NC(=O)N1CCn2c1ncc2	EMOLS-id_319154494	336.773	QZNJAQYZONOLFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089405
COCCOc1ccc(cc1Cl)NC(=O)N1CCn2c1ncc2	EMOLS-id_320072169,MCULE-5837894342	336.773	PNVDXLYKTVIUNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089406
CCOc1ccnc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cl	PC-id_59333961,SCHEMBL3326031	336.777	QBHHCYYZCSOUGB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089407
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2Cl)F)n1	EMOLS-id_330996478,MCULE-6231631979	336.788	TYRKOPKIUOBGEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089408
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(cccc2F)Cl)n1	EMOLS-id_330996222,MCULE-5199748362	336.788	KMSZKRIOLKWBDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089409
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2F)Cl)n1	MCULE-5736666134,EMOLS-id_330995455	336.788	WAEUNEARHHVVFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089410
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)F)n1	EMOLS-id_330994687,MCULE-4731515007	336.788	PBTLGCNGKZKIRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089411
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(Cl)c2F)n1	EMOLS-id_330994943,MCULE-8584924074	336.788	ACOKOCIPYQDCIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089412
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(F)c2)Cl)n1	EMOLS-id_330996991,MCULE-9435857270	336.788	ZTCQJIGOJMBLFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089413
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(F)c2Cl)n1	MCULE-8170918332,EMOLS-id_330996990	336.788	BPTCASZUIRUJMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089414
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(Cl)cc(F)c2)n1	EMOLS-id_330995199,MCULE-5784479758	336.788	OKPZISWNAILOGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089415
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)ccc2Cl)n1	MCULE-2034357127,EMOLS-id_330996734	336.788	OUBPHJFSJMJUSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089416
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1Cl)F	EMOLS-id_330981305,MCULE-3791673605	336.788	RYHDMEOMNPMYSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089417
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1F)Cl	MCULE-8332489857,EMOLS-id_330980282	336.788	FCVFPJUHCFBRHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089418
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)F	EMOLS-id_330979514,MCULE-5316010680	336.788	ZRYOHTDCGBRVHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089419
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(Cl)c1F	EMOLS-id_330979770,MCULE-6079657934	336.788	DTAFGPWCHZGBAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089420
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(F)c1Cl	EMOLS-id_330977722,MCULE-6286180618	336.788	QUSUADRMPLDSTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089421
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)Cl	MCULE-7605582557,EMOLS-id_330977723	336.788	YMVNODITFHDKQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089422
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(Cl)cc(F)c1	MCULE-5661817413,EMOLS-id_330980026	336.788	ARMUUDVDNICNNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089423
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)ccc1Cl	MCULE-1873030685,EMOLS-id_330977466	336.788	ASRGNHOIDBBHGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089424
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1Cl	EMOLS-id_330981049,MCULE-4662138898	336.788	XEHQTCWKSNSOIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089425
c1(CN(C)CC(=O)Nc2ccc(cc2F)Cl)c2CCCc2[nH]n1	MCULE-2012811386,PC-id_91838022,EMOLS-id_55668995,ZINC22_244778702	336.792	PVAIOLYXEXLCSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089426
c1(C(=O)NCCNc2ccc(F)c(Cl)c2)c2CCCc2n(C)n1	EMOLS-id_320480779,MCULE-1515707247,PC-id_84467395	336.792	ALESGUISJBAMDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089427
CCCN(C(=O)C1NCc2c1c[nH]n2)Cc1c(F)cccc1Cl	EMOLS-id_318909869	336.792	AYDUVRGFFWEDJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089428
Clc1ccc(cc1F)[C@@H]1OCC[C@H]1NC1CC(n2c1ncn2)C	MCULE-3838368676,EMOLS-id_318672568	336.792	CZOKRBJCOISXOQ-PWWUPHOWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089429
NCCN(Cc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@H](F)C2	ZINC22_1875292561	336.792	MAPCEDVDFIVRPI-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089430
NCCN(Cc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@@H](F)C2	ZINC22_1875292562	336.792	MAPCEDVDFIVRPI-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089431
O=C(C1NCc2c1c[nH]n2)NCC(c1ccc(cc1Cl)F)(C)C	EMOLS-id_318884313	336.792	XJVOVSNKWXUWAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089432
O=C(C(c1ccc(c(c1)Cl)F)C)NC(c1nnc2n1CCC2)C	EMOLS-id_318762430	336.792	AWCOUPLUBQMPHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089433
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1cc(c(c(c1)Cl)O)O	PC-id_135747817	336.793	LEAOMSUOYGQRJE-REZTVBANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089434
c1(NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C(=O)OC	MCULE-1343753171,ZINC22_1002463,PC-id_1225679,TIMTEC602045,CoCoCo_5832026,EMOLS-id_4016782	336.793	ZRKRKMOJGZUABS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089435
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)O	PC-id_28860253,EMOLS-id_179129496,MCULE-8767976388	336.793	NOVHFHZEIPMRDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089436
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129499,PC-id_28860255,MCULE-5989364752	336.793	PNZMJXISXJVPBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089437
Clc1ccc(C(=O)CCC(=O)Nc2onc3c2CSC3)cc1	PC-id_49719008	336.793	MUTXQAHIYIZESQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089438
ClC1=CC(=CNNC(=O)c2sc3CCCc3c2)C=C(O)C1=O	PC-id_9149514	336.793	SSXWMOOOAFLEJI-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-089439
Clc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)ccc1O	PC-id_8123264	336.793	HNLFWPMTRSZVAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089440
Clc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)c(O)cc1	PC-id_8123254	336.793	AXFFHCLVKBZDJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089441
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(Cl)cn1	MCULE-9079324005,PC-id_2440814,EMOLS-id_3180385,ZINC22_3325244,CoCoCo_2840734	336.793	OTOCLZBZAWHNJY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089442
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cccnc1Cl	PC-id_3557416,EMOLS-id_3475366,ZINC22_5308105,MCULE-9887675395,CoCoCo_2840735	336.793	OBUDJCOWQYRVQM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089443
BCN1C(=O)c2c(C1=O)c(sc2Br)Br	SCHEMBL12524702	336.796	RETBNBQAGRJEIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089444
Clc1ccc(NC(=O)NC(=O)c2n3CCSc3nc2C)cc1	PC-id_21811874	336.797	IZXQGDQNVBIDJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089445
N#Cc1cccc(c1Cl)S(=O)(=O)NCc1nn2c(c1)CCC2	EMOLS-id_319263172	336.797	CPFNNNRRAXBUDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089446
N#Cc1ccc(cc1Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318941846	336.797	ZSUZTGIBVXAWQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089447
N#Cc1cc(ccc1Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319808642	336.797	YXBKMPYBHVTBCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089448
N#Cc1cccc(c1Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319884278,MCULE-1028579162	336.797	ZBZRTTBNGZBUIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089449
N#Cc1ccc(c(c1)Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	MCULE-6495498256,EMOLS-id_319994130	336.797	PJUCVVJJSUJQED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089450
Clc1cc(CNC(c2n3CCCc3nn2)C)cc(OC)c1OC	EMOLS-id_257822172,MCULE-2572997088,PC-id_53535080	336.817	NYLOCXKUJSNLPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089451
Clc1cc(CN[C@H](c2n3CCCc3nn2)C)cc(OC)c1OC	PC-id_52641299	336.817	NYLOCXKUJSNLPR-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-089452
Clc1cc(CN[C@@H](c2n3CCCc3nn2)C)cc(OC)c1OC	PC-id_52641301	336.817	NYLOCXKUJSNLPR-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089453
ClCCNC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109589	336.817	VEBJYTQQBYHHNA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-089454
COCC(Oc1ccc(cc1NC1CC(n2c1ncn2)C)Cl)C	MCULE-7238920205,EMOLS-id_320230685	336.817	ZVSJLJSBPBTQJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089455
Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1nnc2n1CCC2	EMOLS-id_31866766,ZINC22_40480495,MCULE-5034472195,PC-id_45802296,CoCoCo_4474345	336.82	AJQMUKDRMDQCHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089456
CC(c1nnc2n1CCC2)Nc1cnn(c(=O)c1Cl)C(C)(C)C	MCULE-1067470474,EMOLS-id_318108279	336.82	XBXBTRWPRFGNJB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089457
CCCCn1nc(C)c(C(=O)NCc2nnc3n2CCC3)c1Cl	ZINC22_40489866,MCULE-5176563948,EMOLS-id_31878266,CoCoCo_4651270,PC-id_45806072	336.82	WKCZUAWSKFJRCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089458
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-3164903172,EMOLS-id_334662359	336.836	OGLUULJMXUQPRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089459
c1(NC(=O)CCCOc2ccccc2Cl)sc2c(CCC2)n1	MCULE-9042871575,EMOLS-id_334661335	336.836	YIPXFUMLAVMAHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089460
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)n1	EMOLS-id_334661334,MCULE-6874173759	336.836	YMCKREGUXVJGSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089461
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CCC2	MCULE-8517975138,EMOLS-id_17194278,ZINC22_6304887,CoCoCo_4164043,PC-id_4695169	336.836	SQDSQQXESKKFGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089462
CC(=O)c1sc2[n+](c1C)C(=O)/C(=C/c1ccccc1Cl)/S2	ZINC22_6483827,PC-id_5907191	336.836	VOSPTOAMNUGYRV-GHXNOFRVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089463
Clc1c(C=C2Sc3sc(c([n+]3C2=O)C)C(=O)C)cccc1	PC-id_377073	336.836	VOSPTOAMNUGYRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089464
Clc1c(OC(C(=O)Nc2sc3CCCc3n2)C)cc(cc1)C	PC-id_75893279	336.836	NVPKKQVXLLQZCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089465
Clc1c(O[C@H](C(=O)Nc2sc3CCCc3n2)C)cc(cc1)C	PC-id_52652178	336.836	NVPKKQVXLLQZCV-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-089466
Clc1c(O[C@@H](C(=O)Nc2sc3CCCc3n2)C)cc(cc1)C	PC-id_52652179	336.836	NVPKKQVXLLQZCV-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089467
CCc1ncc(c(n1)C(=O)NCCc1sc2c(n1)CCC2)Cl	MCULE-3834457009,EMOLS-id_319926706	336.84	CWCRQLZXAJZUQF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089468
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC2	PC-id_40108046,ZINC22_32873626,CoCoCo_4474394	336.84	YCGUHGHAKDXPLO-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-089469
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC2	ZINC22_32873625,CoCoCo_4474395,PC-id_40108045	336.84	YCGUHGHAKDXPLO-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089470
Clc1ccc(SC(C(=O)NCc2n3CCCc3nn2)C)cc1	PC-id_42896206,EMOLS-id_25007949,MCULE-7845063788	336.84	YCGUHGHAKDXPLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089471
Clc1c(C(=O)NCCc2n3CCCc3nn2)cc(SC)cc1	EMOLS-id_257830552,MCULE-6401703115,PC-id_51079730	336.84	NOJISYGKQQOEJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089472
ClC(=CC1Sc2n(N1)c(nn2)CCC)c1ccc(OC)cc1	PC-id_10735646	336.84	JFUSWPPRPDSEDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089473
ClCCCCS(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_116814876	336.858	HPGOIZMGHVPHBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089474
ClCC(CS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_79579881	336.858	QCGGMCRZQIZFOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089475
Clc1cc(NC(=O)c2sc3CCCc3c2)c(cc1)C(=S)N	PC-id_64915219	336.86	VHTCIDWAHCCTAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089476
Clc1c(NC(=O)c2sc3CCCc3c2)cc(cc1)C(=S)N	PC-id_80405338	336.86	XISAHHHSRPDPLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089477
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1Cl)C(=S)N	PC-id_107808382	336.86	OWWOVEGFASYZCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089478
Clc1ccc(cc1)C(C(NC(c1sc2c(n1)CCC2)C)C)O	PC-id_110017304	336.879	XZPUIOHSVOFQMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089479
Clc1sc2c(C(NCCCN(S(=O)(=O)C)CC)CC2)c1	PC-id_81251518	336.901	YXYCOBROUSAYML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089480
COC1=CC=C(C=C1)CN2CC3=C(C2=O)C=C(S3)Br	PC-id_151707970	336.977	RFYUXSDBLUXNBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089481
CCCCN1Cn2c(C1=O)nc(c2Br)Br	PC-id_140263680	337.011	STMVQBVTTSNDRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089482
CC(CN1Cn2c(C1=O)nc(c2Br)Br)C	PC-id_140263709	337.011	SSDOKXQBMARJKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089483
COC1=CC(=C(C=C1)C(=O)O)NS(=O)(=O)C2=CN=C3N2CCC3	MCULE-4616092305,EMOLS-id_317322160,PC-id_154745840	337.073	PNTOPFJBPXKZSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089484
COC1=C(C=CC(=C1)NS(=O)(=O)C2=CN=C3N2CCC3)C(=O)O	PC-id_154745939,MCULE-3731731081,EMOLS-id_317297344	337.073	BDULCYNFSOMZGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089485
BrC(=C)CNC1CCc2c1cc(s2)Br	EMOLS-id_313599036	337.074	JCPYSMDPYZYXRX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089486
CNS(=O)(=O)C1=CC(=C(C=C1)NC2CC3=CN=CN3C2)[N+](=O)[O-]	MCULE-8274712532,PC-id_154766622,EMOLS-id_257947507	337.084	GOYLMMFEMOMTCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089487
CC(C)(C)OC(=O)N1CC2=C(C1)N(C(=N2)S(=O)(=O)C)C(F)F	PC-id_153944128	337.091	FUVYLWRLFXMEKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089488
C1CCC(CC1)(C(F)(F)F)NS(=O)(=O)C2=CN=C3N2CCC3	MCULE-3530134976,EMOLS-id_317746331,PC-id_154736829	337.107	NISRZFRJPKWXDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089489
C1CC2=C(C1)SC(=N2)CN3CCC(C3)C(=O)N4CCSCC4	PC-id_165432031,MCULE-1693874150,EMOLS-id_337900645	337.128	WSNCUJLNWAYCDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089490
CC(=O)N1Cc2sc(C(=O)O)c(I)c2C1	EMOLS-id_331219548	337.134	FXNNRNXIDWMIBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089491
C1CC2=C(C1)SC(=N2)CN3CCOC(C3)C(=O)N4CCOCC4	MCULE-5253945378,PC-id_155981131,EMOLS-id_330979877	337.146	LQXNAADWDNKWBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089492
CC1=C(NN=C1NC(=O)C2=C3CCCN3N=C2)C4=CC=CC=C4OC	EMOLS-id_317734838,PC-id_154782757,MCULE-7178526012	337.154	PDAKNWHYEPZGRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089493
O=C(OCCCl)N(C(=O)OCCCl)c1onc2c1CCC2	PC-id_44391672,CHEMBL182502	337.156	AOGKEDHHTMXYCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089494
CC1=C[S+](c2nc(cn12)C(=O)OC)CI	SCHEMBL11315050,PC-id_88760734	337.157	ASOFLOZISSYXAX-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-089495
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1[nH]ccc1	PC-id_20528108,SCHEMBL11278239	337.169	VXAOFSVPWWYPGB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-089496
Cn1cc(Br)c(=O)c(NC(=O)c2n[nH]c3c2CCC3)c1	ZINC22_97375394,MCULE-9010402218,PC-id_86790791,EMOLS-id_49937290	337.172	OIMHIUMSBTWJBA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089497
O=C(c1c[nH]c(=O)c(c1)Br)NCc1cnc2n1CCC2	EMOLS-id_319311894	337.172	KWNSVHBRJKYEQU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089498
O=C(c1c[nH]c(=O)c(c1)Br)NCc1n[nH]c2c1CCC2	EMOLS-id_318841941	337.172	YJSIWTQHZZSOSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089499
OC(C(=O)N1Cc2c(C1)cn[nH]2)Cc1ccncc1Br	EMOLS-id_319390580	337.172	XOEUJNFKLISOMB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089500
O=C(N1CCn2c1ccn2)C(Cc1ccncc1Br)O	EMOLS-id_318815598	337.172	ZECLRGUNAFHTHC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089501
O=C(N1CCn2c1ncc2)C(Cc1ccncc1Br)O	MCULE-3176423224,EMOLS-id_320083275	337.172	VDHUFIJMAYOMJG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089502
O=C(Nc1cc(CO)ccn1)c1c(Br)nc2n1CCC2	EMOLS-id_324071039,PC-id_146109138,MCULE-6416291779,ZINC22_911241613	337.172	IYTITEKHTBKDCT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089503
O=C(NCc1nnc2n1CCC2)c1ccc(Br)cc1O	MCULE-5515214991,ZINC22_49447106,PC-id_47465945,EMOLS-id_32122027	337.172	DZCBQVPTBDYHLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089504
Brc1cncc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319092815	337.175	MXUGWODMRBIAME-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089505
Brc1nccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319796108	337.175	KWQULIJRLJEUCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089506
CCN1C2=C(CN(C2)C(=O)OC(C)(C)C)N=C1C(=O)NNC(=O)C	PC-id_153944153	337.175	GBMLFVSYBKGISB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089507
O=C(c1nn2c(c1Br)CCC2)N1CC(C1)c1n[nH]cn1	EMOLS-id_319073965	337.175	AOVNMLDASLEMCE-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-089508
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccnc1Br	EMOLS-id_319478960	337.175	JOFZPCDSFQYOCW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089509
c12CN(Cc1sc(I)c2C(=O)OCC)C	EMOLS-id_331063850,MCULE-2309613092	337.177	JLNINNMHUPBHLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089510
c1(C(=O)OCC)sc2CN(Cc2c1I)C	EMOLS-id_330872903,MCULE-2957793213	337.177	JSBJAIOJJCAQHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089511
C[C@@H]1CCC2=C1C(=NN2CC(=O)C)C(=O)N3CCC(CC3)(CO)F	PC-id_153600397	337.18	SHYRBKBTZRBIFF-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089512
CC1CCc2c1c(C=O)nn2Cc1cc(Br)ccc1F	MCULE-2543494700,EMOLS-id_331004915	337.187	AMKHTIUGYWSVBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089513
CC1CCc2c1c(C=O)nn2Cc1ccc(Br)cc1F	MCULE-1122313948,EMOLS-id_331003379	337.187	LOXFWDNNOSKLLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089514
CC1CCc2c1c(C=O)nn2Cc1ccc(Br)c(F)c1	EMOLS-id_331003635,MCULE-6740692179	337.187	FGTIILPHDGQBEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089515
CC1CCc2c1c(C=O)nn2Cc1cccc(Br)c1F	EMOLS-id_331005171,MCULE-3387831804	337.187	KHVRQFSSQFDXTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089516
CC1CCc2c1c(C=O)nn2Cc1cccc(F)c1Br	MCULE-9522529214,EMOLS-id_331003124	337.187	ZPKLVEVEGDDJAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089517
CC1CCc2c1c(C=O)nn2Cc1ccc(F)c(Br)c1	EMOLS-id_331004659,MCULE-9201863266	337.187	OQZCAKCJLGLYNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089518
CC1CCc2c1c(C=O)nn2Cc1ccc(F)cc1Br	MCULE-2458735667,EMOLS-id_331002612	337.187	IFJREFCEPDGLMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089519
CC1CCc2c1c(C=O)nn2Cc1cc(F)cc(Br)c1	MCULE-4199405340,EMOLS-id_331005427	337.187	BFHUUUQATQIZKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089520
CC1CCc2c1c(C=O)nn2Cc1c(F)cccc1Br	EMOLS-id_331002868,MCULE-8730160356	337.187	OIXYFYZUKHMCPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089521
CC1CCc2nn(Cc3cc(Br)ccc3F)c(C=O)c12	EMOLS-id_330984638,MCULE-2059839560	337.187	PCDRHJBJYODACH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089522
CC1CCc2nn(Cc3ccc(Br)cc3F)c(C=O)c12	MCULE-8632543768,EMOLS-id_330983102	337.187	PPVXZHNQRLREAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089523
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(C=O)c12	EMOLS-id_330983358,MCULE-2333461439	337.187	NJJBGLLKOOYQMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089524
CC1CCc2nn(Cc3cccc(Br)c3F)c(C=O)c12	EMOLS-id_330984894,MCULE-5253831304	337.187	FUBMCZGAPFFJMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089525
CC1CCc2nn(Cc3cccc(F)c3Br)c(C=O)c12	EMOLS-id_330982847,MCULE-5976030040	337.187	NCLVHOUWKXXIRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089526
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(C=O)c12	MCULE-1622796957,EMOLS-id_330984382	337.187	AOADZWCWKQHMBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089527
CC1CCc2nn(Cc3ccc(F)cc3Br)c(C=O)c12	EMOLS-id_330982335,MCULE-8298502776	337.187	GAMDTBCVGLDUPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089528
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(C=O)c12	MCULE-2204808412,EMOLS-id_330985150	337.187	KGVXLOPGTNBVJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089529
CC1CCc2nn(Cc3c(F)cccc3Br)c(C=O)c12	EMOLS-id_330982591,MCULE-2683781900	337.187	GBPCIPFGPFFTCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089530
Brc1ccc(o1)C(=O)Nc1sc2CCCc2c1C#N	ZINC22_33553,CoCoCo_3268204,EMOLS-id_3117709,PC-id_671952,MCULE-1296174826	337.192	NJBLYTQZFDMIKO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-089531
N#Cc1c(NC(=O)c2coc(Br)c2)sc2c1CCC2	PC-id_121563168,EMOLS-id_76019146,ZINC22_74363432,MCULE-1546629624	337.192	AEIBFAJIMFOWRB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-089532
N#Cc1c(sc2c1CCC2)NC(=O)c1ccoc1Br	PC-id_106852791	337.192	XOFPCEYFPJRKHT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-089533
ClC(Cl)(C(=O)n1nc2c(CCC2)c1C)C(=O)c1ccccc1	PC-id_11233000	337.201	FQBHNQFDQSPRFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089534
Clc1cc(C=CC(=O)NCc2n3CCCc3nn2)cc(Cl)c1	PC-id_72055513,EMOLS-id_26236774,MCULE-3498880740	337.204	HKQCMNSDMUHURL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089535
Clc1c(C=CC(=O)NCc2n3CCCc3nn2)cc(Cl)cc1	PC-id_72055514,EMOLS-id_26236772,MCULE-1645858512	337.204	GQLNKHFAFUSXPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089536
Clc1cc(C(=NNC(=O)c2n[nH]c3CCCc23)C)ccc1Cl	PC-id_4223259	337.204	JHUJEHIUSNGCLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089537
O=C(/C=Cc1cc(Cl)cc(c1)Cl)NCc1nnc2n1CCC2	CoCoCo_4658162	337.204	HKQCMNSDMUHURL-ARJAWSKDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089538
O=C(/C=C/c1cc(Cl)ccc1Cl)NCc1nnc2n1CCC2	ZINC22_32906572,CoCoCo_4658159,PC-id_40143084,CoCoCo_4658160	337.204	GQLNKHFAFUSXPY-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089539
O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCc1nnc2n1CCC2	ZINC22_32906573,PC-id_40143085,CoCoCo_4658161	337.204	HKQCMNSDMUHURL-ONEGZZNKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089540
C1Cc2nc(c(n2C1)C=NN=Cc1c(nc2n1CCC2)Cl)Cl	PC-id_134691458	337.207	YXMOHFIUWKAHRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089541
Brc1nc2OC(Cn2c1)COc1ccc(C(C)C)cc1	PC-id_78098340	337.212	XCXSDWHVYBQTIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089542
Brc1nc2O[C@@H](Cn2c1)COc1ccc(C(C)C)cc1	PC-id_71525498	337.212	XCXSDWHVYBQTIA-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089543
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2O)c1	MCULE-5036418631,EMOLS-id_331004591	337.212	YAZXXMGDKODKLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089544
COc1ccc(Br)c(Cn2nc(O)c3C(C)CCc23)c1	MCULE-5551635488,EMOLS-id_330958322	337.212	AYWDNGQVZZQUJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089545
COc1ccc(Cn2nc3CCC(C)c3c2O)c(Br)c1	MCULE-9896176506,EMOLS-id_331004847	337.212	VDDPCNBZYWMXEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089546
COc1ccc(Cn2nc(O)c3C(C)CCc23)c(Br)c1	MCULE-6157653510,EMOLS-id_330958578	337.212	UQVHMWPPTPYSCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089547
COc1ccc(COCc2nn3CCCc3c2Br)cc1	EMOLS-id_337151691	337.212	YBHAQFANWDZWEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089548
Brc1cc(CNC(c2n3CCCc3nn2)C)ccc1O	PC-id_61526313	337.215	JHGPPJBXBGVEOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089549
Brc1c(O)c(CNC(c2n3CCCc3nn2)C)ccc1	PC-id_61391805	337.215	HSQXWRHFACYXLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089550
CCOc1ccc(cc1NC1CC(n2c1ncn2)C)Br	EMOLS-id_279085608	337.215	PMSKLYZOJRTFLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089551
CN(Cc1cc(Br)cn1C)C(=O)c1cn2c(n1)CCC2	ZINC22_564996559,EMOLS-id_316909987,MCULE-6408306915	337.215	HCRROPQNQPLUHD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-089552
COc1ccc(Br)cc1CNCc1nnc2n1CCC2	PC-id_37785951,EMOLS-id_45746595,MCULE-3223072448,ZINC22_30652526	337.215	DBWNVLWFRLSWSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089553
COc1ncc(c(c1Br)C)NCc1cnc2n1CCC2	MCULE-2756231709,EMOLS-id_318033572	337.215	JMWIBBVEGZQEGV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089554
O=C(c1cccc(c1Br)C)Nc1sc2c(n1)CCC2	PC-id_103852969	337.235	WWTQZXVRBLKCGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089622
Cc1nc(NC(c2nnc3n2CCC3)C)c(c(n1)C)Br	MCULE-6865054193,EMOLS-id_318063544	337.218	CBZXAVGHMYNPEC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089555
c1(C#N)c2CCCc2sc1/N=C/c1cc(Cl)cc(Cl)c1O	ChemDIV8008-6270,MCULE-2513033639,SPECS-id_AN-153/I120891,SPECS-id_AT-084/J158085,CoCoCo_1941473,PC-id_135429863,CK3083907,SPECS-id_AN-329/08594027,EMOLS-id_17750632,ZINC22_18144036,NSC201852	337.224	ZLCCXOOZFJEICE-FBCYGCLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089556
c1(C#N)c2CCCc2sc1N=Cc1cc(Cl)cc(Cl)c1O	MCULE-3497638616	337.224	ZLCCXOOZFJEICE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089557
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	PC-id_924821,ZINC22_514023,BAS-06848327,CoCoCo_356025,MCULE-5961147787,EMOLS-id_1487134,SPECS-id_AN-153/I125064	337.224	SSBZBIPSYMXLRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089558
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	MCULE-6444181820,ZINC22_36263,PC-id_674018,EMOLS-id_6777661	337.224	UOSYEEVWBJAFMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089559
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCC2)c1C#N	TIMTEC380098,ChEMBL-DNDi_CHEMBLF0328-0202,SPECS-id_AN-153/I242283,PC-id_924822,EMOLS-id_1487132,ZINC22_514024,CoCoCo_356024,BAS-06848320,MCULE-3992220375	337.224	PJRHZQCSPNPRJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089560
ClC1=CC(=CC(=CNc2sc3CCCc3c2C#N)C1=O)Cl	PC-id_5379168	337.224	VOJRMQFVQVVUPA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-089561
ClC1=CC(=C/C(=C/Nc2sc3CCCc3c2C#N)/C1=O)Cl	PC-id_5396194	337.224	VOJRMQFVQVVUPA-FPLPWBNLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-089562
Clc1cccc(C(=O)Nc2sc3CCCc3c2C#N)c1Cl	MCULE-5762135018,PC-id_4511423,EMOLS-id_328109362	337.224	QWOKDHGEUBCAES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089563
Clc1cc(C(=O)Nc2sc3CCCc3c2C#N)cc(Cl)c1	PC-id_4523173	337.224	JOROFVZLVRMCEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089564
N#Cc1c(/N=Cc2cc(Cl)cc(Cl)c2O)sc2c1CCC2	ZINC22_101503015,CoCoCo_1941474	337.224	ZLCCXOOZFJEICE-GXHLCREISA-N	00000010100000110000000010000000000000000000000000000000	25-01-089565
N#Cc1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCC2	ZINC22_3221725,EMOLS-id_3028645,CoCoCo_3268209,MCULE-6969095201,PC-id_2340242	337.224	IQNIEFOBORIYSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089566
CC1CCc2c1c(CBr)nn2Cc1cccc(C)c1F	EMOLS-id_331026959,MCULE-7370396289	337.23	VIWSAMCUJYEQPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089567
CC1CCc2c1c(CBr)nn2Cc1ccc(C)cc1F	EMOLS-id_331028494,MCULE-7050253530	337.23	QGOIUEVIJFHGRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089568
CC1CCc2c1c(CBr)nn2Cc1cc(C)ccc1F	MCULE-5824354884,EMOLS-id_331026703	337.23	HBIULVDYRNCTGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089569
CC1CCc2c1c(CBr)nn2Cc1ccc(C)c(F)c1	EMOLS-id_331028238,MCULE-5524716272	337.23	GJEDRXQQFVPDMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089570
CC1CCc2c1c(CBr)nn2Cc1cccc(F)c1C	MCULE-8254677941,EMOLS-id_331029263	337.23	BGHBBBRTYHGELR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089571
CC1CCc2c1c(CBr)nn2Cc1ccc(F)cc1C	MCULE-1920027100,EMOLS-id_331029006	337.23	JHQPAUQPMQVASA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089572
CC1CCc2c1c(CBr)nn2Cc1ccc(F)c(C)c1	MCULE-6316819255,EMOLS-id_331028750	337.23	GAEZQKDCJJVPIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089573
CC1CCc2c1c(CBr)nn2Cc1cc(F)ccc1C	EMOLS-id_331029519,MCULE-6649178650	337.23	PYGQQALQSGEJJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089574
CC1CCc2nn(Cc3cc(C)ccc3F)c(CBr)c12	EMOLS-id_331013816,MCULE-7227246405	337.23	VTRWFSFDSLVKMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089575
CC1CCc2nn(Cc3ccc(C)cc3F)c(CBr)c12	MCULE-3590278010,EMOLS-id_331011512	337.23	JDUMTFQTENYTPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089576
CC1CCc2nn(Cc3cccc(C)c3F)c(CBr)c12	MCULE-8075111859,EMOLS-id_331014072	337.23	RBMBYVVYOPOFCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089577
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(CBr)c12	EMOLS-id_331011256,MCULE-4803665752	337.23	KUFFRHXUEDKAOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089578
CC1CCc2nn(Cc3cccc(F)c3C)c(CBr)c12	MCULE-3096649509,EMOLS-id_331012281	337.23	DMMKBOWZEVEFKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089579
CC1CCc2nn(Cc3ccc(F)cc3C)c(CBr)c12	MCULE-9293952642,EMOLS-id_331012024	337.23	PTDOJYKKYNPPNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089580
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(CBr)c12	MCULE-7273646455,EMOLS-id_331011768	337.23	JLYRFZQIKYSDCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089581
CC1CCc2nn(Cc3cc(F)ccc3C)c(CBr)c12	MCULE-4495221749,EMOLS-id_331012537	337.23	RLHGPJAECGRWAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089582
CC(c1ccccc1F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016885,MCULE-6997424341	337.23	FHEJLIJJMKPVLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089583
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1Br	EMOLS-id_331019682,MCULE-5603878825	337.23	QGGWXWKYJGEKJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089584
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1Br	MCULE-5762308389,EMOLS-id_331020194	337.23	IOOPOQIVQSVTNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089585
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1Br	MCULE-7064038444,EMOLS-id_331020707	337.23	JXFLBAHJCMTNOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089586
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1Br	MCULE-7302019220,EMOLS-id_331016367	337.23	PEQHUSZLCNOTNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089587
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1Br	EMOLS-id_331016111,MCULE-8834025340	337.23	RJMIYAWYOWOEHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089588
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1Br	EMOLS-id_331019938,MCULE-5726440203	337.23	GVVIABBMKRYMMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089589
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1Br	MCULE-2835142096,EMOLS-id_331020705	337.23	SNQMGPRAGJQVFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089590
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016115,MCULE-9379900690	337.23	MQAIYVYNLLOLIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089591
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1Br	EMOLS-id_331020961,MCULE-4646226202	337.23	AEIQCTGEUQVSBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089592
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1Br	EMOLS-id_331020451,MCULE-5223155447	337.23	CNQYUCWMDQQXQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089593
Brc1cc(C(=O)c2sc3CCCc3c2)ccc1OC	PC-id_43463356	337.232	PFYCAIPTFYGSDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089594
Brc1cc(C(=O)c2sc3CCCc3c2)c(OC)cc1	PC-id_43463372	337.232	SUWSSMZKRWDKRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089595
Brc1c(C(=O)c2sc3CCCc3c2)ccc(OC)c1	PC-id_60786949	337.232	BOVJLMMBRVHLAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089596
Brc1ccc(cc1)NC(=O)c1c(N)sc2c1CCC2	MCULE-9672694507,PC-id_722806,ChEMBL-DNDi_CHEMBL3261-0179,BAS-00832010,CoCoCo_138033,ZINC22_127209,EMOLS-id_1280362	337.235	ZFKMGMOVCPGFTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089597
Brc1ccc(CC(=O)Nc2nc3CCCc3s2)cc1	MCULE-8342436387,EMOLS-id_181476556,PC-id_4072086	337.235	NWBWOYDKWJECEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089598
Brc1ccc(c(n1)C)NC(=O)c1sc2c(c1)CCC2	PC-id_103909796	337.235	PULGRTVRSDFRLK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089599
Brc1cccc(n1)C(=O)NCc1sc2c(c1)CCC2	PC-id_103889861	337.235	OLPMSORNQMUQDN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089600
Brc1cc(c(C(=O)Nc2sc3CCCc3n2)cc1)C	PC-id_47302425	337.235	MSZXRLIWPQHOOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089601
Brc1ccc(nc1)C(=O)NCc1sc2CCCc2c1	PC-id_55153637	337.235	TUIHUVSPCKFORH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089602
Brc1c(cc(NC(=O)c2sc3CCCc3c2)nc1)C	PC-id_79730128	337.235	HDDWMGIPTSEHIO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089603
Brc1cc(c(NC(=O)c2sc3CCCc3c2)nc1)C	PC-id_81489979	337.235	YLVZKAXCATUXPT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089604
Brc1cc(C(=O)Nc2sc3CCCc3n2)c(cc1)C	PC-id_65309764	337.235	TYSVJLKLEANWQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089605
Brc1c(c(C(=O)Nc2sc3CCCc3n2)ccc1)C	PC-id_65573685	337.235	BFWFZHRSEPUKJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089606
Brc1cc(C(=O)Nc2sc3CCCc3n2)ccc1C	PC-id_79466923	337.235	VTQUKGIFQUEISZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089607
Brc1cc(C(=O)NCc2sc3CCCc3c2)cnc1	PC-id_61547425	337.235	WAMCECRZUWDJQK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089608
Brc1cc(N)c(NC(=O)c2sc3CCCc3c2)cc1	PC-id_29008302	337.235	VXPWRZNZGRXJTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089609
Brc1cc(NC(=O)c2sc3CCCc3c2)ccc1N	PC-id_82861925	337.235	XTBMWAXUVPCCAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089610
Brc1c(C(=O)Nc2sc3CCCc3n2)cc(cc1)C	PC-id_80964931	337.235	WXWPAWWAKBBFFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089611
Brc1c(C(=O)Nc2sc3CCCc3n2)ccc(c1)C	PC-id_81788873	337.235	WLAXPQGFXSEXKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089612
Brc1cncc(c1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_317933967,MCULE-4844104906	337.235	GKYZKZWJBZCKGC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089613
Brc1c(N)cc(NC(=O)c2sc3CCCc3c2)cc1	PC-id_79767951	337.235	IBMAHRSHEFAWKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089614
Brc1c(nc(NC(=O)c2sc3CCCc3c2)cc1)C	PC-id_79048964	337.235	UYVVVIWTHOTNAE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089615
Brc1c(NC(=O)c2sc3CCCc3c2)ccc(N)c1	PC-id_43549518	337.235	ZPZFSNLJGXAAIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089616
Brc1c(NC(=O)c2sc3CCCc3c2)cc(N)cc1	PC-id_81525651	337.235	PIYIQOCNDYESLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089617
Brc1nccc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_103754982	337.235	XVPJAUYPIRJSEP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089618
Brc1ncc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_66463334	337.235	DNPGULHFBHEYPI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089619
O=C(c1ccc(c(c1)C)Br)Nc1sc2c(n1)CCC2	PC-id_112705703	337.235	VZSKBIASTOOVSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089623
O=C(c1cccnc1Br)NCc1sc2c(c1)CCC2	PC-id_103754983	337.235	GSSCJJPWRHXAJZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089624
O=C(c1ncccc1Br)NCc1sc2c(c1)CCC2	PC-id_113969254	337.235	DBKSZULFAHNKOD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089625
O=C(c1sc2c(c1)CCC2)Nc1cnc(c(c1)C)Br	PC-id_104178790	337.235	UONXQLRHAMPMBM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089626
Clc1cc(c(s1)Cl)CS(=O)(=O)c1[nH]c2c(n1)CCC2	EMOLS-id_318624562	337.245	ADVZRYDBOQJNSH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-089627
Clc1ccc(cc1Cl)N1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318087165,MCULE-4715315144	337.247	HSSRIPNPXZYXRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089628
Clc1ccc(c(c1)Cl)N1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318370614,MCULE-7655595958	337.247	KEXXDOWKLBTRNE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089629
Brc1cc(sc1)/C=N/c1sc2CCCc2c1C#N	PC-id_22299430	337.258	CKUUJLGCUJJIBI-OMCISZLKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-089630
Brc1cc(sc1)C=Nc1sc2CCCc2c1C#N	PC-id_830806	337.258	CKUUJLGCUJJIBI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-089631
Brc1sc(C=Nc2sc3CCCc3c2C#N)cc1	ChEMBL-DNDi_CHEMBL1440800,PC-id_1237671	337.258	ZZPUWCHQAJQHBB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-089632
Brc1sc(/C=N/c2sc3CCCc3c2C#N)cc1	PC-id_9618152	337.258	ZZPUWCHQAJQHBB-FRKPEAEDSA-N	00000010100100000000000010000000000000000000000000000000	25-01-089633
Brc1c(cc(C(O)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64182868	337.275	WRVNAUJNQPJWAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089634
BrC(c1sc2c(CCC2)c1)c1c(cc(OC)cc1)C	PC-id_63438658	337.275	OSDSZLPJWNELHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089635
BrC(c1sc2c(CCC2)c1)c1cc(c(OC)cc1)C	PC-id_63443009	337.275	JVFMBZQZZWIPDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089636
BrC(c1sc2c(CCC2)c1)c1ccc(OCC)cc1	PC-id_63436968	337.275	HACSFWGBWAGKBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089637
BrC(c1sc2c(CCC2)c1)c1c(OC)ccc(c1)C	PC-id_63443252	337.275	RALDRWKTWUEMBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089638
BrC(c1sc2c(CCC2)c1)Cc1ccc(OC)cc1	PC-id_63542246	337.275	ZAQZFZSPYHKZCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089639
BrC(c1sc2c(CCC2)c1)Cc1cc(OC)ccc1	PC-id_55224847	337.275	UTXJZBFSYRFCDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089640
BrC(c1sc2c(CCC2)c1)Cc1c(OC)cccc1	PC-id_55222575	337.275	CCWHGFLOIUDYHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089641
Brc1ccc(cc1)CC(c1sc2c(n1)CCC2)(N)C	PC-id_105545882	337.278	HJRSDPJROHUGPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089642
Brc1c(cc([C@@H](NC)c2sc3CCCc3n2)cc1)C	PC-id_66481788	337.278	FFYIRNWJKVGOTN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089643
Brc1c(cc(C(NC)c2sc3CCCc3n2)cc1)C	PC-id_66481787	337.278	FFYIRNWJKVGOTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089644
Brc1ccc(C(NCC)c2sc3CCCc3n2)cc1	PC-id_61332383	337.278	BJODMLHMWIVTJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089645
Brc1cc(C(NCC)c2sc3CCCc3n2)ccc1	PC-id_61332028	337.278	XPVNYLZAZNFLMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089646
Brc1c(C(NC)c2sc3CCCc3n2)ccc(c1)C	PC-id_81793296	337.278	OIUPMANXFBXSPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089647
Brc1c(C(NCC)c2sc3CCCc3n2)cccc1	PC-id_61332211	337.278	SRPMCFPJKNOYQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089648
CNC(c1ccc(c(c1)Br)C)c1sc2c(n1)CCC2	PC-id_105402335	337.278	KPZNTUJTYFGKDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089649
CNC(c1sc2c(c1)CCC2)Cc1ccc(cn1)Br	PC-id_105036036	337.278	ACMJJCGFTFBMCK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089650
CNC(c1sc2c(c1)CCC2)Cc1cncc(c1)Br	PC-id_105036548	337.278	ABWIOAUEIOJYOK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089651
NNC(c1sc2c(c1)CCC2)Cc1ccccc1Br	PC-id_105283902	337.278	RVCUJCRGJJAOOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089652
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1)Br	PC-id_105284543	337.278	FMTJONLYUMNCFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089653
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)Br	PC-id_113699299	337.278	NFKSYJIHXJAMMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089654
FC(F)(F)c1ccc(C(=O)c2n(c3C(C(=O)Oc3c2C)C)C)cc1	PC-id_53897727,SCHEMBL7674669	337.293	HUWXTWWPNGBZHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089655
C=Cc1nn2c(c1C(=O)O)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18739979	337.296	DKDVFSOWKQGURK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089656
CC(=Cc1ccc(cc1)OC(F)(F)F)C(=O)N1Cc2c(C1)cn[nH]2	MCULE-5197253681,EMOLS-id_324035185	337.296	SMCHRFXURBNBKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089657
C/C(=Cc1ccc(OC(F)(F)F)cc1)/C(=O)N1Cc2c[nH]nc2C1	PC-id_146107660,ZINC22_854583842	337.296	SMCHRFXURBNBKP-UXBLZVDNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089658
CCNc1nc(Nc2cnn3CC(Cc23)C#N)ncc1C(F)(F)F	BindingDB-id_767413,SCHEMBL19729840	337.303	ABNUYIFHBCOEIK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089659
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1CC(C2)[N+]#[C-]	PC-id_140845411	337.303	BKBOVRJTXGFPMV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089660
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1C[C@@H](C2)C#N	SCHEMBL19729969	337.303	ABNUYIFHBCOEIK-MRVPVSSYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089661
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1C[C@H](C2)C#N	SCHEMBL19729970	337.303	ABNUYIFHBCOEIK-QMMMGPOBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089662
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1C[C@@H](C2)[N+]#[C-]	PC-id_140845412	337.303	BKBOVRJTXGFPMV-QMMMGPOBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089663
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1C[C@H](C2)[N+]#[C-]	PC-id_140845413	337.303	BKBOVRJTXGFPMV-MRVPVSSYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089664
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002550,MCULE-4910946768	337.315	PFTRPEIUBMEFGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089665
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1C#N	MCULE-8045238828,EMOLS-id_331004856	337.315	CDFKGKUYJQHHES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089666
O=C(Cc1ccc(cc1)C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_318824487	337.459	PJAIHSSSJVBXGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090016
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1C#N	MCULE-9051897412,EMOLS-id_331005112	337.315	LAEZRXORJOJCHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089667
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1C#N	MCULE-9016118210,EMOLS-id_331002294	337.315	RFMMHSNWOAUZRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089668
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331004600,MCULE-9532630650	337.315	KJYXOLBRJAVWNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089669
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1C#N	MCULE-3747513457,EMOLS-id_331002042	337.315	ZJCOEZPDHZDBQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089670
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331002298,MCULE-7978049431	337.315	KPKPOUDHPAPHNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089671
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005368,MCULE-4841242483	337.315	BZROOQTXWLHRDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089672
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1C#N	EMOLS-id_331005881,MCULE-2496781688	337.315	PHVBSPSEPVSSIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089673
O=C(C1(CCC1)C(F)(F)F)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112079654	337.318	JLJZCNBDJGGRNC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-089674
FC(Oc1cccc(c1)C(CNC(=O)c1n[nH]c2c1CCC2)O)F	PC-id_109876653	337.321	GYTSLONEWFBBQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089675
FC(Oc1ccc(cc1)C(CNC(=O)c1n[nH]c2c1CCC2)O)F	PC-id_111424687	337.321	LHZFSEFAKQVHIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089676
Cc1c(NC(=O)NCc2nnc3n2CCC3)cccc1OC(F)F	ZINC22_69896783,EMOLS-id_36661390,PC-id_53615550,MCULE-3702064781	337.325	XBICNILEMNEPHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089677
Cc1noc(C2CN(C(=O)Cn3nc(C(F)F)c4c3CCC4)C2)n1	ZINC22_2325798360	337.325	VLZYSPCQUSXCLW-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-089678
COc1c(F)cc(NC(=O)NCCc2nnc3n2CCC3)cc1F	EMOLS-id_43405181,MCULE-3191978396,PC-id_72104299,ZINC22_75104790	337.325	CDJAFBSPQAAAGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089679
Fc1cc(C(O)CNC(=O)NCc2n3CCCc3nn2)ccc1F	MCULE-7992999575,PC-id_71894752,EMOLS-id_45753051	337.325	CFIXBYYQYNAHIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089680
FC(COc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319644125	337.325	XUKBUSUPAKDXMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089681
FC(COc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319681847	337.325	ZKCUFPRFWMDXEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089682
FC(Oc1cc(ccc1C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319285754	337.325	BTVILSDUOOLILD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089683
FC(Oc1cccc(c1NC(=O)N1Cc2c(C1)c(n(n2)C)N)C)F	EMOLS-id_319297295	337.325	KXEVNTKOPAFRQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089684
O=C(NCc1nnc2n1CCC2)NCC(c1c(F)cccc1F)O	PC-id_111450400	337.325	PNPLJKQIWFUDDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089685
O=C(NCc1nnc2n1CCC2)NC[C@@H](O)c1ccc(F)c(F)c1	PC-id_97076666,ZINC22_89768298	337.325	CFIXBYYQYNAHIY-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089686
O=C(NCc1nnc2n1CCC2)NC[C@H](O)c1ccc(F)c(F)c1	PC-id_97076667,ZINC22_89768299	337.325	CFIXBYYQYNAHIY-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089687
O=C(NCCc1nnc2n1CCC2)Nc1ccc(OC(F)F)cc1	ZINC22_79019469,MCULE-4357637468,PC-id_71861983,EMOLS-id_43664500	337.325	FQZAUEXZTAUIFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089688
C1CC(=O)N(C1=O)OC(=O)c1nn(c2c1C=CC2)Cc1ccccc1	PC-id_87850466,SCHEMBL5531830	337.329	NBTDKKKPDLHMKZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-089689
C1CC(=O)N(C1=O)OC(=O)c1nn(c2c1CC=C2)Cc1ccccc1	SCHEMBL5523901,PC-id_87849036	337.329	XFLWBXGPGSYVKJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-089690
OC(=O)c1cc(ncc1)c1nc(NCc2n3CCCc3nn2)ncc1	PC-id_70751010	337.336	IYCPJTRFPJFKSR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-089691
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2)CC)n1	PC-id_798516,MCULE-4896355504,ChEMBL-DNDi_CHEMBL1718206,BindingDB-id_58692,EMOLS-id_1359661,ZINC22_303742,CoCoCo_224960,TIMTEC530293,BindingDB_PC-id_798516,BAS-01939630	337.34	WPFBKWSAENHZEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089692
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccccc2CC)n1	ZINC22_303739,TIMTEC217831,CoCoCo_224958,MCULE-1501452156,PC-id_798513,ChEMBL-DNDi_CHEMBL1361999,EMOLS-id_1359657,BAS-01939628,CHEMBL1361999	337.34	IKWCHHWCTUGXIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089693
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(c(C)c2)C)n1	TIMTEC80336,CHEMBL1479173,PC-id_798522,BAS-01939639,EMOLS-id_1359675,ZINC22_303749,CoCoCo_224966,MCULE-7826133251	337.34	BNFGKZMBPNQSAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089694
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)c2ccccc2)n1	MCULE-9502908154,PC-id_3136370,SCHEMBL1007066,BAS-01939665,EMOLS-id_1359723,TIMTEC154297	337.34	FRUNTQIJSYUPMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089695
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCCc2ccccc2)n1	PC-id_3136368,ZINC22_4973928,SCHEMBL1006301,CoCoCo_224978,MCULE-2009357174,BAS-01939652,EMOLS-id_1359699	337.34	JCQRLHYRDDTYGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089696
c1(C(F)(F)F)c2CCCc2n(CC(=O)N(C)Cc2ccccc2)n1	SCHEMBL1007308,EMOLS-id_1359671,CHEMBL1523829,ZINC22_869812,PC-id_1129740,CoCoCo_224964,MCULE-1119083078,BAS-01939637	337.34	MBEGTXATLRQUHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089697
c1(CNC(=O)Cc2cccc(c2)C(F)(F)F)c2CCCc2nn1C	MCULE-3591102028,ZINC22_225818019,EMOLS-id_53884649,PC-id_91819390	337.34	YUMHROCCYWUXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089698
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(c2C)C(F)(F)F)n1	EMOLS-id_331036685,MCULE-4066364573	337.34	PODMOLIQHVAJJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089699
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(c2)C(F)(F)F)C)n1	MCULE-3353954725,EMOLS-id_331036173	337.34	OOKVIEPTSJYVTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089700
c1(C(=O)N)c2C(C)CCc2n(Cc2c(C)ccc(c2)C(F)(F)F)n1	EMOLS-id_331035917,MCULE-5482098203	337.34	ODJQGSLVZIUNQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089701
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)cc(c2)C(F)(F)F)n1	EMOLS-id_331036429,MCULE-3741108665	337.34	SMCCGODGCYNZIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089702
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(c1C)C(F)(F)F	MCULE-3157869387,EMOLS-id_331018679	337.34	SRLUTADXECPBMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089703
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(c1)C(F)(F)F)C	EMOLS-id_331022262,MCULE-9585706529	337.34	DWJFGKGCSLZLOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089704
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_331018423,MCULE-9817786743	337.34	KMHPHURWLXJPBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089705
c1(C(=O)N)c2C(C)CCc2nn1Cc1c(C)ccc(c1)C(F)(F)F	EMOLS-id_331022006,MCULE-2385008351	337.34	MQRZBJNIPMARAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089706
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(c1)C(F)(F)F	EMOLS-id_331020218,MCULE-1555641390	337.34	XFZGDDSMJBJXSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089707
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccccc1C(F)(F)F	EMOLS-id_331022011,MCULE-2195071838	337.34	UYJPKPFPZLEUCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089708
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1)C(F)(F)F	MCULE-8427920927,EMOLS-id_331018424	337.34	GMTCMRNNIBRNAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089709
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_563166538	337.34	RLUPRKWSADHCRS-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089710
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_563166539	337.34	RLUPRKWSADHCRS-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-089711
C[C@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1	CoCoCo_224990,PC-id_798536,ZINC22_303769	337.34	FRUNTQIJSYUPMU-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-089712
C[C@@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1	ZINC22_303775,CoCoCo_224991,PC-id_798538	337.34	FRUNTQIJSYUPMU-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089713
CN(C(=O)c1cn2c(n1)CCC2)C(c1ccc(cc1)C(F)(F)F)C	EMOLS-id_316904879,MCULE-4620576430	337.34	RLUPRKWSADHCRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089714
N[C@H](Cc1cc(F)cc(c1F)F)CC(=O)N1Cc2c(C1)cn(c2)C	PC-id_141263351	337.34	SYVUWYCNURBSNF-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089715
O=C(c1ccc(cc1)C(C(F)(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_319675720	337.34	OSBFUODHTDDOMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089716
O=C(c1ccc(cc1)C(C(F)(F)F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319704165	337.34	LAURFSBHUMHYQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089717
O=C(C(c1ccc(cc1)C(F)(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_319354736	337.34	XNBXOVMHTKUSDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089718
c1(NC(=O)c2cc(F)cc(F)c2)sc2c(CCC2)c1C(=O)OC	TIMTEC61583,CoCoCo_5823952,ZINC22_484277,PC-id_903886,SPECS-id_AK-968/15252771,MCULE-1050830322,EMOLS-id_8246124	337.341	ASRNNMWUJJQCFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089719
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccc(s1)C(F)(F)F	MCULE-7724025826,EMOLS-id_316459342	337.341	ICUACPFHMAQKLQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-089720
COC(=O)c1c2c(CCC2)sc1NC(=O)c1c(F)cccc1F	CoCoCo_3314592,PC-id_1537128,ZINC22_1465892,EMOLS-id_3065196,MCULE-5620145218	337.341	IATDBBXGDPUUAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089721
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(F)c(F)cc1	PC-id_4018088	337.341	QXWFGJBZSNRHPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089722
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(F)cccc1F	PC-id_16505641	337.341	CEEWRTDJGHNYOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089723
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(F)ccc(F)c1	PC-id_5115427	337.341	GKTRJTCGEMQAMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089724
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(F)cc(F)cc1	PC-id_5033221	337.341	XGUBZXOCGQIHOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089725
O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1nc2c(s1)CCC2	ZINC22_58402771,EMOLS-id_33325209,PC-id_51108437,MCULE-2002795796	337.344	LGKZHRNRFGNJSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089726
C/C=CC=C/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)C(=O)c1cc2oc1cc2)F	SCHEMBL20645892,PC-id_137412483	337.348	HUJLKQFZQYKXDU-AHFPIKMWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089727
N#Cc1cc(F)c(c(c1)C(=O)Nc1nc2c(s1)S(=O)CC2)O	SCHEMBL10181697,PC-id_56971591	337.349	ZMCMHDCMVVWBIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089728
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cnc(cn1)C	EMOLS-id_36616448,PC-id_56760155,ZINC22_67982965,MCULE-9186679056	337.351	FJYRTUZHKYBDFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089729
CCC1CC(CCN1CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C(=O)[O-]	SCHEMBL6010860,PC-id_69635402	337.351	ZMMOCUDFMDBLKN-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-089730
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cc(no1)OC	PC-id_90573963	337.351	RRWPAFWBZZDAJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089731
COC(=O)C1=CNC(=CSC1Cc1nn2c(c1)OCC2)C(=O)O	SCHEMBL5365189,PC-id_69418088	337.351	FYWHOQWBJPYTQX-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-089732
n12ncnc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O	MCULE-6191454297	337.353	ADBALCIMJCPTST-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-089733
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68440166,SCHEMBL2917057	337.354	NEKGSMWPVSHVKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089734
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68440879,SCHEMBL2919272	337.354	GSFRVDOSXRNAKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089735
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2920582,PC-id_68441337	337.354	BXYBIBVPGJQMSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089736
CS(=O)(=O)c1ccc(NCc2nnc3n2CCC3)c([N+](=O)[O-])c1	PC-id_24590552,ZINC22_24904526,EMOLS-id_31363387,MCULE-6426982243	337.354	DCXIRSASALPCBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089737
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)N)COc1ccccc1	PC-id_68440728,SCHEMBL2918817	337.354	XXPFMKCQOCAYSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089738
FC(C1CCN(C1(C)C)S(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_99948514	337.361	MJBNYPVILUJKBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089739
FC(C(C1CCCC1)NS(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_100214032	337.361	RHOYYQLNOASVDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089740
FC(CC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_98186932	337.361	IQPNSFHEMDQBCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089741
FC(CN(S(=O)(=O)c1cnc2n1CCC2)C1CCCC1)(F)F	MCULE-5303081182,EMOLS-id_97765165	337.361	CVXFKMAAPJQHCY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089742
OCCCN(CC(F)(F)F)CC(=O)Nc1sc2c(n1)CCC2	PC-id_111434324	337.361	XDDAMMNHOHQAAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089743
C1Cc2ncc(n2C1)S(=O)(=O)NC1(COC1)c1ccccc1F	PC-id_136569942	337.369	CQVUBMVQBYYJBP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-089744
c1(C(=O)NCCS(=O)(=O)c2ccc(cc2)F)c2CCCc2[nH]n1	EMOLS-id_49406987,MCULE-5180875434,STOCK7S-37284,PC-id_71706535,EMOLS-id_44754784,ZINC22_95477480	337.369	OPHWBTUDIJPPIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089745
O=C(NC1CCn2c1ncc2)CCc1ccc(cc1)S(=O)(=O)F	EMOLS-id_319145731	337.369	GBKBOEKVIMCEHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089746
O=C(Nc1n(C)nc2c1CCC2)Cc1ccc(cc1)S(=O)(=O)F	EMOLS-id_319604238	337.369	XBWZVFCXGGDIIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089747
O=C(NCCS(=O)(=O)c1ccccc1F)c1cc2n(n1)CCC2	EMOLS-id_316923998,ZINC22_1615051073,MCULE-5947983810	337.369	LNEMOPHBIIJQPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089748
C(=Cc1cccc(F)c1)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3029261827	337.371	LHNHJTCKOVNRKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089749
C(=Cc1ccc(F)cc1)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6041433868	337.371	HHRDLVRWNWXDHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089750
Fc1ccccc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324834549	337.371	CIPFUHKIGQQGKR-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089751
Fc1ccc(Cc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_324834044	337.371	SCSRNXNSAHMWDH-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089752
Fc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324833525	337.371	NVFWUPCGVNONJX-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089753
Fc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324834039	337.371	ZGOGRKRSFJADKH-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089754
Fc1cccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_328119143	337.371	LHNHJTCKOVNRKU-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089755
Fc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_328114521	337.371	HHRDLVRWNWXDHF-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089756
n12nc(nc1sc(=Cc1ccccc1)c2=O)Cc1ccc(F)cc1	MCULE-1132205625	337.371	SCSRNXNSAHMWDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089757
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)Cc1ccccc1	MCULE-1257056831	337.371	NVFWUPCGVNONJX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089758
n12nc(nc1sc(=Cc1ccccc1F)c2=O)Cc1ccccc1	MCULE-6154500456	337.371	CIPFUHKIGQQGKR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089759
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)Cc1ccccc1	MCULE-1406539477	337.371	ZGOGRKRSFJADKH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-089760
s1c2C(OC(c2c(c1NC(=O)COCC(=O)[O-])C#N)(C)C)(C)C	PC-id_28947043	337.371	HNBXSJRJVCEREO-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-089761
OC(=O)N1CC2(C1)c1ccccc1C(C2=O)Cc1[nH]c2c(n1)CCC2	PC-id_139484396,SCHEMBL21351550	337.372	PBSJVJJQACTEPS-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-089762
s1c2CCCc2c(c1NC(=CC(=O)c1ccccc1)C(=O)[O-])C#N	PC-id_4124484	337.372	JLRPVPGGZVADJX-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-089763
s1c2CCCc2c(c1N=C(CC(=O)c1ccccc1)C(=O)[O-])C#N	PC-id_52326565	337.372	YDSWBBRAMMINOB-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-089764
C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)O)SC1C[n+]2n(C1)cnc2)O	PC-id_101620752	337.374	HSOWOGZSPIEODL-BCMRRPTOSA-O	00001011100000000001001010000000000000000000000000000000	25-01-089765
C[C@H]([C@H]1C(=O)N2[C@H]1CC(=C2C(=O)O)SC1C[n+]2n(C1)cnc2)O	PC-id_101681348	337.374	HSOWOGZSPIEODL-POZPLHJXSA-O	00001011100000000001001010000000000000000000000000000000	25-01-089766
COC(=O)c1c(NC(=O)N[C@H](C(=O)N)C(C)(C)C)nc2n1CCC2	ZINC22_952850111,MCULE-2676125402,EMOLS-id_316969855	337.374	UAGNYGZEJBDLRQ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089767
O1C(CN2CCN(C(C)(C)C)C(=O)C2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5534730,PC-id_69479114	337.374	NDMTVJBQJWHIOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089768
OCCN1CCN(CC1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319052805	337.374	FVCNOZVDWUEXFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089769
s1c2c(CCC2)c(c1NC(=O)c1sc([N+](=O)[O-])cc1)C(=O)N	PC-id_4537251	337.374	VWTZILJQYVMFFT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-089770
c12c(C#N)c(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(C)C)C	MCULE-6198784122,EMOLS-id_49218893,SPECS-id_AN-153/NB27380,PC-id_135636116	337.376	ZLCXWFYTGBGRBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089771
c12CN(Cc1cnn2CCO)C(=O)c1cccc(c1)Cn1cccn1	ZINC22_67643033,EMOLS-id_36572569,MCULE-5608930925,PC-id_56741855	337.376	HXUOFMAOUAZVHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089772
c1(c(C)[nH]c(c2ccccc2)n1)C(=O)N1Cc2c(n(nc2)CCO)C1	ZINC22_97698847,EMOLS-id_49669678,MCULE-4287615871,PC-id_74245188	337.376	TZGAEYOQROOCNO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089773
c1(c[nH]nc1c1cccc(C)c1)C(=O)N1Cc2c(n(nc2)CCO)C1	ZINC22_97402533,MCULE-5548137419,EMOLS-id_49647424,PC-id_74234249	337.376	VGIKYNMCYOTSKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089774
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)cc(=O)n(c2ccccc2)[nH]1	MCULE-4679785433,ZINC22_220508802,EMOLS-id_55657668,PC-id_91779260	337.376	BMWWCCCWFFNFGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089775
c1(NC(=O)c2c3CCCc3[nH]n2)c(C)n(n(c2ccccc2)c1=O)C	EMOLS-id_335112795,MCULE-9419150687	337.376	OBECLQUQVZXXSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089776
c1([nH]nc(c2ccc(cc2)C)c1)C(=O)N1Cc2c(n(nc2)CCO)C1	MCULE-3989342473,ZINC22_97547611,EMOLS-id_49656482,PC-id_74238716	337.376	BKTZJOLMRPEAEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089777
Cc1ccc(c2ocnc2C(=O)N(C)Cc2nnc3n2CCC3)cc1	EMOLS-id_49050327,MCULE-1706750726,PC-id_71998805,ZINC22_96426171	337.376	RIHBHWBNOUSCSN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089778
Cc1ccc(cc1)n1[nH]c(cc1=O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318772578	337.376	XWRDBJPICLJNIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089779
Cc1ccc(cc1)n1[nH]c(cc1=O)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319953096,MCULE-6692791347	337.376	QCQZMCHRULXTOT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089780
Cc1cccc(COCc2n[nH]c3c2CN(C(=O)c2ccc[nH]2)C3)n1	EMOLS-id_46183459,ZINC22_96086723,PC-id_97406039	337.376	JDERDBGAUOXFAB-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-089781
Cc1nc(c2ccco2)ccc1C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_69527798,PC-id_53575619,MCULE-3605793993,EMOLS-id_36308396	337.376	SSMOOJUNAAYCDP-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-089782
Cc1nn2c(c1C#N)NC(=O)[C@H]2CC(=O)Nc1ccc(C(C)C)cc1	PC-id_136807883,ZINC22_96194532	337.376	ZLCXWFYTGBGRBY-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089783
Cc1nn2c(c1C#N)NC(=O)[C@@H]2CC(=O)Nc1ccc(C(C)C)cc1	PC-id_136807884,ZINC22_96194533	337.376	ZLCXWFYTGBGRBY-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089784
Cc1oc(c2ccccc2)nc1CC(=O)NCc1nnc2n1CCC2	PC-id_91773181,MCULE-3024320709,ZINC22_42648578,EMOLS-id_55640058	337.376	ILFOBAJKYVFAKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089785
C[C@H](Cc1nc(c2ccccc2)no1)NC(=O)c1n[nH]c2c1CCC2	ZINC22_372255987	337.376	PQDWGHVIVRPNSP-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089786
C[C@@H](Cc1nc(c2ccccc2)no1)NC(=O)c1n[nH]c2c1CCC2	ZINC22_372255989	337.376	PQDWGHVIVRPNSP-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-089787
CC(NC(=O)c1n[nH]c2c1CCC2)Cc1onc(n1)c1ccccc1	PC-id_146123294	337.376	PQDWGHVIVRPNSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089788
Cn1ncc(c1)Oc1ccccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319046961	337.376	WTGBQAUUZRATRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089789
Cn1nc(Cn2cccc2)c2c1CN(C(=O)c1cc(C3CC3)on1)C2	ZINC22_1565553953,EMOLS-id_313735127	337.376	NFLPMOXHEGKQFC-UHFFFAOYSA-N	00100010110000000001100010000000000000000000000000000000	25-01-089790
CN(C(=O)c1ccc(cc1O)n1cccc1)Cc1nnc2n1CCC2	MCULE-7109934417,EMOLS-id_319834855	337.376	IVWZKBVAYGGAPU-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-089791
CN(C(=O)c1n[nH]c2c1CN(C2)Cc1ccco1)Cc1ccccn1	PC-id_97408304	337.376	NARZWLFRMDRUQP-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-089792
COc1ccc(cc1)c1c[nH]c(n1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_320026661,MCULE-4793308768	337.376	VBFHJHURMLEENZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089793
COc1ccc(cc1)c1c[nH]c(n1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319723515	337.376	OHINLOHNJFHDLH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089794
COc1ccc(cc1)c1c[nH]c(n1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_319624018	337.376	UUNQHZXXGSIUIB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089795
COc1ccc(cc1)c1c[nH]c(n1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_318961411	337.376	JJAROYDZMOIYFY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089796
COc1ccc(cc1)c1[nH]nc(c1)C(=O)NCc1n[nH]c2c1CCC2	PC-id_50977161,EMOLS-id_320250592,MCULE-9168109675	337.376	IZSUGQJYKWQPKK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089797
COc1ccc(cc1)c1n[nH]cc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319066342	337.376	BZUNENVBAZXQFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089798
COc1ccc(cc1)c1n[nH]c(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319536686	337.376	LFIIMXPDWGGWRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089799
COc1ccccc1c1n[nH]c(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319500758	337.376	WPZSHTVRYNYUMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089800
COc1cccc(c1)C(=O)N1Cc2c(C1)c(nn2C)Cn1ccnc1	PC-id_97405315	337.376	SRQREKRAOMFTEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089801
COc1ccc(cc1)C(=O)N1Cc2c(C1)c(nn2C)Cn1ccnc1	PC-id_97405317	337.376	MVWKBLZJXGVMLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089802
COc1cccc(c2cc(C(=O)Nc3c4c(nn3C)CCC4)[nH]n2)c1	ZINC22_89741050,PC-id_71916184,EMOLS-id_45676241,MCULE-8881107345	337.376	WONITPGXGOPWAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089803
COc1c(cnn1c1ccccc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318848789	337.376	ZNNXFAXJFBRTPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089804
COc1c(cnn1c1ccccc1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-9753888530,EMOLS-id_320248705	337.376	ZPZMDRCTWFWGDH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089805
COc1cn(nc1C(=O)NCc1cnc2n1CCC2)c1ccccc1	EMOLS-id_319135972	337.376	HCWSZCGFJOODJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089806
N#Cc1cccc(c1)CN1Cc2c(C1)[nH]nc2C(=O)N1CCOCC1	PC-id_97389042	337.376	DMIQVIHZGJKCAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-089807
o1c(C(NC(=O)NCc2n3CCCc3nn2)c2ccccc2)ccc1	MCULE-3097744341,EMOLS-id_48989851,PC-id_72026908	337.376	NZXPQUGYEQYEQH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-089808
O=C(c1ccc(cc1)n1c(C)c[nH]c1=O)NCc1cnc2n1CCC2	MCULE-5965069510,EMOLS-id_319905728	337.376	UXEZZMBGFNSLNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089809
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ncccn1	PC-id_92109557	337.376	VFFMKJYEVLJSLP-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-089810
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1nccnc1	PC-id_92109446	337.376	HECGZHCOLJPSAH-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-089811
O=C(NCc1nnc2n1CCC2)N[C@@H](c1ccccc1)c1ccco1	PC-id_94041130,ZINC22_45152642	337.376	NZXPQUGYEQYEQH-KRWDZBQOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-089812
O=C(NCc1nnc2n1CCC2)N[C@H](c1ccccc1)c1ccco1	ZINC22_45152644,PC-id_94041131	337.376	NZXPQUGYEQYEQH-QGZVFWFLSA-N	00000010101000110001000010000000000000000000000000000000	25-01-089813
Cc1cc(NC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)[nH]n1	ZINC22_192195583	337.379	SBEXMSOVWYSACB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089814
Cc1ccnn1c1cccc(NC(=O)NCc2nnc3n2CCC3)c1	MCULE-2484995798,EMOLS-id_36950737,ZINC22_71857050,PC-id_56827014	337.379	JUFNDZLLUIIAFE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089815
Cc1nn(c2ccccc2)c(N)c1C(=O)NCc1nnc2n1CCC2	EMOLS-id_48308676,MCULE-1589311255,PC-id_75397484,ZINC22_95455140	337.379	VVUKWDKXBUMQKL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089816
Cc1nn(c2ccccc2)nc1C(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_94177218,ZINC22_48280220	337.379	QQNAUYPIGHHTRX-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089817
Cc1nn(c2ccccc2)nc1C(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_94177219,ZINC22_48280222	337.379	QQNAUYPIGHHTRX-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089818
Cn1nc(Cn2cccn2)c2c1CN(C(=O)CCc1cncnc1)C2	EMOLS-id_313734871,ZINC22_1565541734	337.379	SMJHQTKBSAFQAS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089819
CN(Cc1nnc2n1CCC2)C(=O)c1cncc(c2cnn(C)c2)c1	EMOLS-id_48342443,PC-id_75462759,MCULE-7444488193,ZINC22_95953769	337.379	VJRVHECPPLHCAA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-089820
N#Cc1nccnc1N1CCN(C(C1)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111226386	337.379	OZMCKBIQQARLAG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-089821
O=C(c1nn(nc1C)c1ccccc1)NC(c1nnc2n1CCC2)C	PC-id_47031192,EMOLS-id_31936100,MCULE-2227364436	337.379	QQNAUYPIGHHTRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089822
O=C(c1nnn(c1C)Cc1ccncc1)NCc1cnc2n1CCC2	EMOLS-id_318825274	337.379	HDWQGBZCNKBVFH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089823
O=C(Cn1nnc(n1)c1ccc(cc1)C)NCc1cnc2n1CCC2	EMOLS-id_318862054	337.379	CKKGRJVOQYTBJF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089824
O=C(N1CCn2c1ncc2)Nc1ccccc1c1nncn1C(C)C	EMOLS-id_319338922	337.379	MIHQSGWZSUVCTA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089825
O=C(Nc1[nH]nc(n1)Cc1ccccc1)NCc1[nH]nc2c1CCC2	CoCoCo_1620711,CoCoCo_1620706,CoCoCo_1620709,EMOLS-id_232787923,CoCoCo_1620707,CoCoCo_1620710,CoCoCo_1620708,MCULE-1113593486,PC-id_29180635	337.379	ALHNQGXIZVGLHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089826
O=C(NCc1nnc2n1CCC2)Nc1ccc(Cn2cccn2)cc1	EMOLS-id_36649307,ZINC22_69188053,PC-id_53606214,MCULE-1987799936	337.379	HUEVHQRJXNFXML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089827
Cc1nn2c(n1)C(=NNc1n[nH]c(c1C#N)C(C)(C)C)C(=N2)C(=C)C	PC-id_89429326	337.382	AGWDNALNMYVQKM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-089828
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1CN	MCULE-8297138665,EMOLS-id_331000242	337.383	CHWNQCZHUUKNNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089829
CC(c1cccc(c1)C(F)(F)F)(CNCc1cnc2n1CCC2)C	EMOLS-id_318053051	337.383	RGCQOSOWYRDVGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089830
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1CN	EMOLS-id_330999986,MCULE-5481355568	337.383	VODLCHPKMNTVAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089831
OC(c1ccc(c(c1)F)F)C(NC(=O)c1sc2c(c1)CCC2)C	PC-id_112364085	337.384	RDKZPCNEOSNXNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089832
c1(CNC(=O)c2ccccc2SC(F)F)c2CCCc2nn1C	ZINC22_225817333,PC-id_91819367,EMOLS-id_53884605,MCULE-4795468848	337.387	WYYOSYXLXOFLGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089833
c1(NC(=O)c2c(cccc2F)F)c2CSCc2nn1C(C)(C)C	MCULE-9476610970,ZINC22_425757,EMOLS-id_5438617,CoCoCo_4982348,PC-id_5065396	337.387	IJOSBFRFZOXGDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089834
c1(NC(=O)c2ccc(c(F)c2)F)c2CSCc2nn1C(C)(C)C	EMOLS-id_5530879,PC-id_7200094,ChEMBL-DNDi_CHEMBLF1878-0005,CoCoCo_5065544,MCULE-6881197982,ZINC22_4341903	337.387	MNFGESKSZYYOTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089835
c1(C(=O)OC)c2C(CCc2sc1NC(=O)/C=C(C)/C)C(=O)OC	PC-id_2941714,MCULE-7851915685,EMOLS-id_2459409	337.391	LBTDCDXMLUHXTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089836
C1(C(=O)OC)(C(=O)Nc2sc3CCCc3c2C(=O)OCC)CC1	MCULE-4365827372,EMOLS-id_328167761	337.391	JOEOUZBGZQEDJU-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-089837
COC(=O)c1c(NC(=O)C=C(C)C)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_939966,PC-id_7200205,ZINC22_4342052	337.391	LBTDCDXMLUHXTK-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-089838
COC(=O)c1c(NC(=O)C=C(C)C)sc2c1[C@H](C(=O)OC)CC2	ZINC22_4342053,PC-id_7200204,CoCoCo_939967	337.391	LBTDCDXMLUHXTK-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089839
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1C(C1)C)C(=O)OC	PC-id_45689576	337.391	NEJVBXCJZZCGAZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-089840
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CC1)C(=O)OCC	PC-id_5027242	337.391	XDCGNSOMQDTIQE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-089841
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCC1)C(=O)OC	PC-id_45683473	337.391	KYGYNGYSYGIIMX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-089842
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=C(C)C)C(=O)OC	PC-id_42044928	337.391	QQXOHESULXJGJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089843
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CC)C(=O)OCC	PC-id_3901048	337.391	DVALQAATKCMROZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089844
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/C)C(=O)OCC	PC-id_5951850	337.391	DVALQAATKCMROZ-ZZXKWVIFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089845
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(s1)c1ccccc1	PC-id_139746926	337.392	ZQNHOWKFRRUXDW-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-089846
c1(NC(=O)C(=O)NCC2CCCO2)sc2c(CCC2)c1C(=O)N	EMOLS-id_4745558,PC-id_17584689,STOCK6S-13996,MCULE-8400891265	337.394	OGULRIXRDKPDRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089847
CCOCCOc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316409357,MCULE-5732740936	337.394	XEASGEWVENJDJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089848
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CN(C1)C(=O)C	PC-id_90512747	337.394	UHYBBWIEBQYHPW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-089849
COc1ccc(cc1)S(=O)(=O)N1Cc2nc(CN(C)C)oc2C1	ZINC22_96260257,EMOLS-id_44372072,PC-id_97520333	337.394	KPEPIQRJFKQLOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089850
COCCOc1ccc(cc1C)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316619322	337.394	PYERXKYBANZBHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089851
COCCOc1ccc(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319530620	337.394	IZQLQLBFFVEVDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089852
NC(=O)c1c(NC(=O)C(=O)NC[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_1102831,ZINC22_6758459,PC-id_8070735	337.394	OGULRIXRDKPDRA-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089853
NC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCO2)sc2c1CCC2	CoCoCo_1102832,PC-id_8070736,ZINC22_6758462	337.394	OGULRIXRDKPDRA-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089854
C1c2c(CS1)[nH]nc2N(c1ccccc1)C(=O)Oc1ccccc1	SCHEMBL13858458,PC-id_89188674	337.396	NIJVTACXJPLUKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089855
c1(NC(=O)C(=Cc2ccccc2)C#N)sc2c(CCC2)c1C(=O)N	MCULE-7608879046,PC-id_2893760	337.396	PNVNLLQXFCBSLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089856
N#C/C(=C/c1ccccc1)/C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_1750707	337.396	PNVNLLQXFCBSLC-XFXZXTDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089857
NC(=O)c1c(NC(=O)/C(=C/c2ccccc2)/C#N)sc2CCCc12	CHEMBL1395728,CoCoCo_1750706,PC-id_711961,ChemDIV3643-3295,EMOLS-id_25909424	337.396	PNVNLLQXFCBSLC-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089858
O=C(Nc1cccc(c2ccc(=O)[nH]n2)c1)c1cc2c(s1)CCC2	EMOLS-id_44505420,ZINC22_61460099,PC-id_49034656,MCULE-2469312804	337.396	LUCGRJHUWGBOTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089859
O=C(Nc1cccc(Oc2cccnn2)c1)c1cc2c(s1)CCC2	ZINC22_155153891,PC-id_122150424,MCULE-6974404113,EMOLS-id_172334232	337.396	GCZSVPSINUUPFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089860
O=C(Nc1cccc(Oc2cccnn2)c1)C1Cc2cscc2C1	ZINC22_2325823918	337.396	IODUCSPGEYDPAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089861
O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2c(s1)CCC2	PC-id_51122637,ZINC22_58416937,EMOLS-id_33357857,MCULE-4882346498	337.396	MRJCSTKVPFXCJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089862
c12SCCn1cc(CNC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC#C)n2	MCULE-5412885050,EMOLS-id_82739647,ZINC22_426691324,PC-id_119073423	337.397	SELZYSYGGTWHLL-KOLCDFICSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089863
Cc1nn(C(C)C)cc1C(=O)NS(=O)(=O)c1cnc2n1CCC2	ZINC22_847692314,MCULE-6553767720,EMOLS-id_316879566	337.397	XQPHPRDKQJMAJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089864
Cc1noc(n1)C1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98568336	337.397	IEARIAQXOXRSRQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089865
Cc1noc(n1)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100194804	337.397	BARVFBDGLVDWPV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089866
Cc1noc(n1)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100197033	337.397	HNPXAUWZYSROOB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089867
CC(C)Cn1nccc1C(=O)NS(=O)(=O)c1cnc2n1CCC2	ZINC22_842769516,PC-id_145878714,EMOLS-id_316898469,MCULE-2446331002	337.397	ADLIJMCNSHVSJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089868
Cn1nc2c(c1NS(=O)(=O)c1cnn(c1)C1COCC1)CCC2	EMOLS-id_98228390	337.397	DPPFXJPLIBJGHB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-089869
COc1ncc(cc1C)S(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318810958	337.397	WWALFQMMLDEMDT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-089870
O=S(=O)(c1cnc2n1CCC2)Nc1n[nH]c(c1)C1CCCOC1	EMOLS-id_100383238	337.397	OMDHDWMPYKAZCX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089871
O=S(=O)(c1cnc2n1CCC2)Nc1n[nH]c(c1)C1CCOCC1	EMOLS-id_97705289	337.397	GETBTKUDVMYTAO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089872
c
(=NC(=O)c2ccc(cc2)Nc2ncccn2)/sc2c(CCC2)[nH]1	STOCK7S-34658,EMOLS-id_49408022,PC-id_71707638,MCULE-7837751693,EMOLS-id_44212650,ZINC22_79491488	337.399	XGTAFNPLJKEINQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089873
c
(=N/C(=O)c2cccc(c2)Nc2ncccn2)/sc2c(CCC2)[nH]1	ZINC22_30692186,STOCK7S-50356,EMOLS-id_50231597,PC-id_37833330,EMOLS-id_50402707,MCULE-7125900887	337.399	WNZUZFHVVZSKTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089874
O=C(c1ccc(F)cc1)c1sc(Nc2ccccc2)c2c1CCC2	CoCoCo_3758495,PC-id_3939534,EMOLS-id_2984962,MCULE-6540537778,ZINC22_4868183,GD-id_ZINC04868183	337.411	IYYRBIVVNMSVPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089875
CCc1cc2n(c1C(=O)c1ccc(cc1)C)CC=C2C(=O)OC(C)C	SCHEMBL11605062,PC-id_70619615	337.412	VONATMCYGPOCKA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-089876
CCCc1cc2n(c1C(=O)c1ccccc1)CC=C2C(=O)OC(C)C	PC-id_70618669,SCHEMBL11599906	337.412	QYDIPLOYJNGIOJ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-089877
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2C(=O)O	PC-id_20253901,SCHEMBL10814890	337.412	DUWBSCWIOVKNSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089878
CCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	SCHEMBL10817435,PC-id_20253922	337.412	IMTUVBSCSKONLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089879
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)CC	PC-id_20253906,SCHEMBL11000760	337.412	IYXQINXHXLYURJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089880
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(C2CCCCC2)cc1	PC-id_85749623	337.412	DAAMEQYVYDXWBH-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-089881
OC(=O)C1CCn2c1ccc2C(=O)C1CCC(CC1)c1ccccc1	PC-id_139746930	337.412	AMWDGYJNNBKMEH-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-089882
c12CN(Cc1nn(CC)c2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	EMOLS-id_324346468,MCULE-8881845779	337.414	FPJGANMLCFQYAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089883
c12CN(Cc1nn(C(C)(C)C)c2C(=O)OCC)C(=O)OC(C)(C)C	MCULE-2594021004,EMOLS-id_324349280	337.414	VKGBQYDEUQFJIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089884
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@H]([C@](CCCOC)(CO)C1)O	ZINC22_1857717616,MCULE-7635360810,EMOLS-id_330403831	337.414	QDNYKOGYMNIDNG-PBHICJAKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089885
c1(C(=O)OC(C)(C)C)n(C(C)(C)C)nc2CN(C(=O)OCC)Cc12	EMOLS-id_324346212,MCULE-7916937486	337.414	WKUPAYIPOLMQSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089886
CCCCOCC(=O)Nc1nc2n(c1C(=O)OC(C)(C)C)CCC2	MCULE-8287855993,ZINC22_1615605837,EMOLS-id_316995824	337.414	JHGVRJPVTSKDGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089887
CC(C)NC(=O)OCc1cn2c(c1COC(=O)NC(C)C)CCC2	NSC373601,LI_192957,ZINC22_5568198,CoCoCo_5631147,CHEMBL293677,PC-id_341458	337.414	MURZOVUHQSSFIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089888
COc1ccccc1CNC(=O)c1cc2CS(=O)(=O)Cc2s1	MCULE-9843441938,PC-id_3242919,EMOLS-id_6687148,CHEMBL1468404,CoCoCo_2175353,ChEMBL-DNDi_CHEMBL1468404	337.414	GPWARRGGWLOQPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089889
COC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_59415396	337.414	CXJJKMKTVBNAQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089890
CS(=O)(=O)Nc1ccc(OC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_89486857,PC-id_71939609,EMOLS-id_45639393,MCULE-5763694391	337.414	JBQKUSRKKUYPEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-089891
OCC1(CC=CC1)C(c1ccccc1)NC(=O)c1cn2c(n1)CCC2	EMOLS-id_319060935	337.416	MPJZNEUUXXPPQF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-089892
O=C(c1nn2c(c1)CCC2)NC1c2ccccc2CC21CCOCC2	EMOLS-id_101325690	337.416	XWMFLGIUTJYYAP-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-089893
O=C(N1CCCCCC1C=Cc1ccccc1)c1cc2n(n1)CCO2	EMOLS-id_318029436	337.416	OTQKTHRPNGNFFN-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-089894
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)NCCC(C)C)C2)n1	EMOLS-id_316334384,MCULE-3694268015	337.417	VLGIXCRCLQIDHQ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089895
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)NCCC(C)C)Cc12	MCULE-4696484553,EMOLS-id_317420655	337.417	JWQZKHIQBSOIOJ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089896
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C)n(C)nc2CSCc12	EMOLS-id_316276505,MCULE-5435052584,ZINC22_1506400524	337.417	FSHOPYQMBVSOES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089897
c1(NC(=O)c2snnc2C)sc2c(CCC2)c1C(=O)OCC	TIMTEC201117,CoCoCo_6286715,EMOLS-id_9880213,PC-id_16453748,ZINC22_11914142,MCULE-5842557075	337.417	HSJFKXCKMPGNRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089898
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)NS(=O)(=O)C	MCULE-8336372698,EMOLS-id_334661075	337.417	JRBOYBBJHTZDCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089899
Cc1ccc(cn1)NC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_97524524	337.417	DPHKUVMHCXDFMB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089900
Cc1nccc(c1)NC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_97524523	337.417	WSOGKXJZZGLPEG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089901
CCC(=O)Nc1n[nH]c2c1CN(C2C)C(=O)OC(C(N(C)C)C)C	PC-id_143492450	337.417	GPUJFAIXYOFRGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089902
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_6186257,MCULE-7189157799,PC-id_4301747,EMOLS-id_36258504	337.417	OPOARMCVBLYQFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089903
CN(Cc1nnc2n1CCC2)C(=O)NCCCOC[C@H]1CCCO1	PC-id_95272019,ZINC22_69327063	337.417	XYRNZPPGQIFPML-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089904
CN(Cc1nnc2n1CCC2)C(=O)NCCCOC[C@@H]1CCCO1	ZINC22_69327056,PC-id_95272018	337.417	XYRNZPPGQIFPML-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089905
CN(C(=O)NCCCOCC1CCCO1)Cc1nnc2n1CCC2	MCULE-6814598868,EMOLS-id_36273315,PC-id_53521099	337.417	XYRNZPPGQIFPML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089906
COc1nscc1NC(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318790281	337.417	XGHUULAJWCKITK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089907
COCCNC(=O)c1cc2n(n1)CC(C2)NC(=O)NCCC(C)C	MCULE-4330511987	337.417	VLGIXCRCLQIDHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089908
CS(=O)(=O)Nc1cccc(NC(=O)c2nc3c(s2)CCC3)c1	ZINC22_416135170	337.417	KDMBPQYTPNVWFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089909
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)NCc1ccccn1	PC-id_97524515	337.417	FVMJXXMBETWOLJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089910
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)NCc1ccncc1	PC-id_97407206	337.417	ASOLOAHIKSBXEA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-089911
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112067200	337.417	SGUCKIKTGQFGKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089912
O=C(Nc1sc2c(n1)CNC2)Cc1ccc(cc1)S(=O)(=O)C	PC-id_144742171	337.417	FCCDOFHHJOHTHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089913
O(C(=O)CCCCCCNC(=O)NCc1n2CCCc2nn1)CC	PC-id_52216062	337.417	ZZIAZTHBPYLDMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089914
s1c2c(CCC2)c(c1NC(=S)Nc1noc(c1)C)C(=O)OC	PC-id_17297589	337.417	MKWBSEKRAOCMFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089915
s1c2CCCc2c(c1NC(=S)NC(=O)CCC(=O)OC)C#N	PC-id_4955509	337.417	CDMMEJQBJNNPHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089916
s1c2CCCc2nc1NC(=O)c1cc(NS(=O)(=O)C)ccc1	PC-id_33040859	337.417	SQZSNXUHASBEMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089917
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)NC)ccc1	PC-id_33040696	337.417	PAMSCPCIPSLEAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089918
CC(c1ccc(c(c1)n1cccn1)OCc1nnc2n1CCC2)(C)C	EMOLS-id_319122181	337.419	KMUSMVPUDLKBON-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089919
Cn1c(cnc1NCc1c2CCCc2nn1C)c1ccc(cc1)OC	PC-id_136569646,EMOLS-id_316937968	337.419	CFGPCTDKFJRUOP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089920
Cn1nc2c(c1CNCc1cc(=O)n(n1C)c1ccccc1)CCC2	MCULE-1661283949,EMOLS-id_320182112	337.419	AHAGTXDAYWWETQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089921
n12nc(nc1sc(=Cc1ccccc1)c2=O)C=Cc1cccs1	MCULE-1543865489	337.419	CWSOEGXOIFKTRT-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-089922
n12nc(nc1sc(=Cc1cccs1)c2=O)C=Cc1ccccc1	MCULE-9551084131	337.419	AFKOVCHZUNWIGK-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-089923
n12nc(nc1sc(=Cc1ccsc1)c2=O)C=Cc1ccccc1	MCULE-4386836865	337.419	NGRMPMGEFXUXQP-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-089924
O=c1/c(=C/c2ccccc2)/sc2nc(/C=C/c3cccs3)nn12	EMOLS-id_45970250,ZINC22_27021927	337.419	CWSOEGXOIFKTRT-LSHJULRISA-N	00000000100100110001000010000000000000000000000000000000	25-01-089925
O=c1/c(=C/c2cccs2)/sc2nc(/C=C/c3ccccc3)nn12	EMOLS-id_45970436,ZINC22_27022442	337.419	AFKOVCHZUNWIGK-LSHJULRISA-N	00000000100100110001000010000000000000000000000000000000	25-01-089926
O=c1n2nc(/C=C/c3ccccc3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324916236	337.419	NGRMPMGEFXUXQP-FKEISFMISA-N	00000000100100110001000010000000000000000000000000000000	25-01-089927
Cc1nc2n(c1/C=NNc1ccc(cc1)S(=O)(=O)N)CCS2	PC-id_97464832	337.42	GWJABQSNFYJFKU-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089928
Cn1cnnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_10661000,PC-id_2514971,CHEMBL571296,BindingDB_PC-id_2514971,MCULE-3792958208,BindingDB-id_93289,CoCoCo_3047641	337.42	NRLUONFWDLIFKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089929
O=C(c1c(S)nc(=O)[nH]c1C)NCCc1cn2c(n1)SCC2	EMOLS-id_319777944	337.42	KOYJXTJMTNQNRN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-089930
s1c2CCCc2c(c1NC(=O)CSC1NNCC(=O)N1)C#N	PC-id_74253134	337.42	XUQCUYQHNLSWEX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089931
S1CCn2c1nc(c2/C=N/Nc1ccc(S(=O)(=O)N)cc1)C	PC-id_50878387	337.42	GWJABQSNFYJFKU-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089932
S1CCn2c1nc(c2C=NNc1ccc(S(=O)(=O)N)cc1)C	PC-id_75572671	337.42	GWJABQSNFYJFKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089933
CN=C(NCc1nnc2n1CCC2)NCCNC(=O)OC(C)(C)C	PC-id_111020627	337.421	UIVPNIOORKSDDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089934
CCCn1nc(c(c1)c1ccnc(n1)NCc1[nH]nc2c1CCC2)C	MCULE-4687777326,CoCoCo_1328715,PC-id_30957593,CoCoCo_1328716,EMOLS-id_24856985	337.422	CMZUJRLJPGAPEI-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-089935
CCOC1CC(C1(C)C)(NC(=O)c1sc2c(c1)CCC2)C(=O)O	PC-id_120699978	337.434	BKDFOLRKNRQACZ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-089936
CCOC(=O)C1CCCN(C1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956575	337.434	OVHIHGSVOZTOBE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089937
CCOC(=O)C1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956561	337.434	HPPFGWFFWAOYEJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089938
CCOC(=O)N1C(=O)c2c(C1=O)c(sc2C(C)(C)C)C(C)(C)C	SCHEMBL16366801,PC-id_117796319	337.434	HIWLJNDZHAKSQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089939
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCCO	PC-id_52555542	337.434	NYXGLVLODLOUFI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089940
c1(NC(=O)CN2CC(C)OC(C)C2)sc2c(CCC2)c1C(=O)N	SPECS-id_AE-641/40793484,PC-id_3300118,EMOLS-id_3064306,MCULE-9389050048,SCHEMBL8289794	337.437	RACLNFSSOZJNHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089941
c1(NC(=O)CN2CCN(CC2)CC)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130970,MCULE-8843046472,PC-id_28866132	337.437	QYRCGVVVNWWZJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089942
c1(NC(=O)CN2CCN(CC2)C)sc2c(CCC2)c1C(=O)OC	MCULE-1332902176,ZINC22_19368239,EMOLS-id_4270921,SPECS-id_AO-476/43415530,CoCoCo_6964488,CoCoCo_6964489,PC-id_22197623	337.437	FTYXZTFQDPRFRM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089943
c1(NC(=O)NN=CCC(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_2787218,MCULE-1908276177	337.437	DYWNTVOKUOAKEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089944
c1(sc2c(CCC2)c1C(=O)OCC)NC(=O)N1CCN(CC1)C	CHEMBL4581678,STOCK6S-07257,PC-id_8030846,PD150849,MCULE-1252029500,EMOLS-id_4735528,ZINC22_6662436	337.437	GPHILACXNMTZEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089945
CC1OCCN(C1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_15270323,PC-id_17486227,MCULE-5423993149	337.437	NJHOBIQSSYSJAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089946
CC(C)[C@@H](NC(=O)c1nc2c(s1)CCC2)C(=O)N1CCOCC1	ZINC22_563468703	337.437	YRDUMKVCOQLCKN-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089947
CC(C)[C@H](NC(=O)c1nc2c(s1)CCC2)C(=O)N1CCOCC1	ZINC22_563468704	337.437	YRDUMKVCOQLCKN-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089948
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1nc2c(s1)CCC2	EMOLS-id_48777448,ZINC22_95947424,PC-id_75416462,MCULE-9170649721	337.437	OWLUCRMEORFESB-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-089949
CCCS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109599	337.437	XOAMFHNNRPYVIS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-089950
C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C[C@@H](C)O1	CoCoCo_3564042,PC-id_703919,ZINC22_19902509	337.437	RACLNFSSOZJNHU-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089951
C[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C[C@@H](C)O1	PC-id_703918,CoCoCo_3564043,CoCoCo_3564041,ZINC22_12883078	337.437	RACLNFSSOZJNHU-AOOOYVTPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089952
C[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C[C@H](C)O1	PC-id_703922,ZINC22_19902513,CoCoCo_3564044	337.437	RACLNFSSOZJNHU-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089953
C[C@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CCO1	CoCoCo_4448593,CoCoCo_4448595,PC-id_98450423,ZINC22_103505210	337.437	NJHOBIQSSYSJAK-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089954
C[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CCO1	PC-id_98450424,ZINC22_103505213,CoCoCo_4448594,CoCoCo_4448592	337.437	NJHOBIQSSYSJAK-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089955
C[C@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CCO1	ZINC22_24113459,PC-id_31590663,CoCoCo_4448589,CoCoCo_4448591	337.437	NJHOBIQSSYSJAK-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089956
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCO[C@H](C)C1	ZINC22_24113454,PC-id_31590659,CoCoCo_4448588,CoCoCo_4448590	337.437	NJHOBIQSSYSJAK-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089957
CCOC(=O)c1c(NC(=O)N/N=C/CC(C)C)sc2c1CCC2	CoCoCo_5794841,PC-id_9554332	337.437	DYWNTVOKUOAKEY-RQZCQDPDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089958
CCOC(=O)c1c(NC(=O)N/N=CCC(C)C)sc2c1CCC2	CoCoCo_5794842	337.437	DYWNTVOKUOAKEY-MFOYZWKCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-089959
Cn1c(c2CCCc2n1)C(=O)N1CCCS(=O)(=O)CC1C1CC1	PC-id_136567193	337.437	NQPICPHHLVIJSR-UHFFFAOYSA-N	00100010100000000101100010000000000000000000000000000000	25-01-089960
Cn1nc(c2c1CCC2)CN(S(=O)(=O)C(C)C)Cc1ccco1	PC-id_92109624	337.437	HJHFEHVSHXWWOT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-089961
O=C1CCCCC1C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100218976	337.437	OSELRMHTYJNYMP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-089962
O=C(C1CC1C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110421001	337.437	IYQSMIOFCWAQRH-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-089963
O=C(C1CCCCC1C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112099091	337.437	UQJYJQXXOREIRU-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-089964
O=C(c1sc2c(n1)CCC2)NC(C(=O)N1CCOCC1)C(C)C	EMOLS-id_316912770,MCULE-7066698499	337.437	YRDUMKVCOQLCKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089965
O=C(C(C1CCC1)C1CCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111200825	337.437	FQQORVDXMREWBF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-089966
O=C([C@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCOCC1	ZINC22_1889101191	337.437	LQXNAADWDNKWBA-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089967
O=C([C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCOCC1	ZINC22_1889101192	337.437	LQXNAADWDNKWBA-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089968
O=C(CNC(=O)c1sc2c(c1)CCC2)NCCN1CCOCC1	EMOLS-id_98633850	337.437	PODOXWACCGJIIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089969
O=C(Nc1sc2c(n1)C(CC2)(C)C)CCC(=O)N1CCOCC1	EMOLS-id_102162352	337.437	ATGCEYYINJESQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089970
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)CO)C(=O)N	PC-id_60510002	337.437	HRCPMXUPTGHJRJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-089971
c1(C(=O)NCc2c3CCCc3[nH]n2)csc(C)c1c1ccccc1	ZINC22_220670706,PC-id_91780492,MCULE-6892537680,EMOLS-id_55661351	337.439	NUOYCPUNBXWBLF-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-089972
c1(sc2c(CCC2)n1)NC(=O)[C@H](Cc1ccccc1)n1cccc1	MCULE-7922497497,EMOLS-id_323246676	337.439	KTBVPSBDXPSMCN-INIZCTEOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-089973
Cc1ccc(cc1)c1ccsc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319170549	337.439	QLZFNMCSMKIFPG-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-089974
Cc1cnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	EMOLS-id_328220794,MCULE-4804792184	337.439	SOAUGBAYVMBMOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089975
Cc1csc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	MCULE-5101309093,EMOLS-id_328221813	337.439	LKCGZCBPAHKTQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089976
Cc1nn(c2ccccc2)c(C)c1NC(=O)c1cc2c(s1)CCC2	PC-id_51111232,EMOLS-id_33338848,MCULE-5897066404,ZINC22_11059956	337.439	FBCDJHBRSRNZCA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089977
CC(c1ccc(cc1)n1ccnc1)NC(=O)c1sc2c(c1)CCC2	PC-id_17422275,EMOLS-id_11969692,MCULE-3709399996	337.439	MDTBNFMMMOEYOO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089978
C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(n2ccnc2)cc1	PC-id_9115132,CoCoCo_3216072,ZINC22_7986184	337.439	MDTBNFMMMOEYOO-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089979
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(n2ccnc2)cc1	PC-id_9115133,ZINC22_7986185,CoCoCo_3216073	337.439	MDTBNFMMMOEYOO-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089980
CN(Cc1cnn(c2ccccc2)c1)C(=O)c1cc2c(s1)CCC2	MCULE-4219012842,ZINC22_7831307,EMOLS-id_11963794,PC-id_8950616,CoCoCo_4193554	337.439	YLOXWSXHOPHXKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-089981
N#Cc1ccc(cc1)N1CCCC(C1=O)NC1CCc2c1scc2	MCULE-6563554598,EMOLS-id_318383028	337.439	YDHSERXBJZTZQE-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-089982
O=C(c1sc2c(c1)CCC2)NCc1cnn(c1)Cc1ccccc1	PC-id_86990841	337.439	SHLRERGTRNPFKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089983
O=C(NCc1ccccc1Cn1cccn1)c1cc2c(s1)CCC2	CoCoCo_4371647,ZINC22_27256132,PC-id_34583765	337.439	SZFIBFSDFZENKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089984
O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCC2	ZINC22_24437544,CoCoCo_4422667,PC-id_31815067,MCULE-3787686576,EMOLS-id_25648697	337.439	DIZNEVNXUCXWPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089985
s1c2CCCc2cc1C(=O)NC(c1n(ccn1)C)c1ccccc1	PC-id_51259944	337.439	WKXFGAUWWGSLPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-089986
s1c2CCCc2nc1NC(=O)c1ccc(n2c(ccc2C)C)cc1	PC-id_33040938	337.439	VQOYCODUHJPNCM-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-089987
s1cc(c2ccc(CC(=O)Nc3n[nH]c4CCCc34)cc2)cc1C	PC-id_9880946	337.439	MXQPCDYMKJDFFJ-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-089988
c1(CN2CCOC(C(=O)N3CCSCC3)C2)nnc2CCCn12	EMOLS-id_323965118,MCULE-1571820027,PC-id_146078075	337.44	WQRXJOZNXFKFGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089989
CC(c1nc(cn1Cc1nn2c(c1)CCC2)S(=O)(=O)N(C)C)C	EMOLS-id_278713250	337.44	ZMAQRJRXENVJEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089990
CC(CC(n1nccc1NS(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_97705010	337.44	JYSZURHYZHLALI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089991
Cn1nc(cc1NS(=O)(=O)c1cnc2n1CCC2)CC(C)(C)C	EMOLS-id_97700096	337.44	VOBRJSWRXUJASZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089992
Cn1nc(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)C(C)(C)C	EMOLS-id_319244479	337.44	QEVZKQLCAZYASA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089993
N#CC1(CCCCC1)CS(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_100178402	337.44	MXUQAMOCFYLKSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089994
O=C([C@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCSCC1	ZINC22_1888834793	337.44	WQRXJOZNXFKFGR-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089995
O=C([C@@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCSCC1	ZINC22_1888834795	337.44	WQRXJOZNXFKFGR-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-089996
O=C(N1CCCN(CC1)C(=O)C)NCCc1nc2n(c1)CCS2	EMOLS-id_99912372	337.44	WTFFBHZLXQLUGZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-089997
N#Cc1c(NC(=O)CSc2nnc(N)s2)sc2c1CCC2	MCULE-9188221475,EMOLS-id_7727329,ZINC22_7535359,PC-id_8632987,CoCoCo_2928134,SPECS-id_AN-153/I135554	337.444	MRXXLDFVIDDVCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-089998
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C)C(=O)OC	PC-id_4993885	337.457	SYZRXCPKEKVGRK-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-089999
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)OC	PC-id_74486543	337.457	WIFPAIPAOSOCDO-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-090000
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCCC1)C)C(=O)OC	PC-id_85001368	337.457	JWZUSYLXFMXPDO-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-090001
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCC1)C(=O)OCC	PC-id_4745210	337.457	YXDCEPCXSHTKJK-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-090002
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)OC	PC-id_2466295	337.457	IKDCCPOKPBJVNN-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-090003
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)OC	PC-id_25985589	337.457	WIFPAIPAOSOCDO-LLVKDONJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-090004
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)OC	PC-id_25985591	337.457	WIFPAIPAOSOCDO-NSHDSACASA-O	00000010100010000000000010000000000000000000000000000000	25-01-090005
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCCC1)C)C(=O)OC	PC-id_9399689	337.457	JWZUSYLXFMXPDO-LLVKDONJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-090006
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCCC1)C)C(=O)OC	PC-id_9399698	337.457	JWZUSYLXFMXPDO-NSHDSACASA-O	00000010100010000000000010000000000000000000000000000000	25-01-090007
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C1CCCCC1)C(=O)OC	PC-id_51861625	337.457	CJUMBCBHTOJENJ-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-090008
Cc1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109750	337.459	YHAGEWNTQKJYNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090009
Cc1cccc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109751	337.459	UVGVSAACXBNUPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090010
Cc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109752	337.459	XCIBDZOZOWRBEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090011
CCN1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328336030,MCULE-8206316134	337.459	BHXNKHBUCSTNAS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090012
CN1CCC(CC1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328212859,MCULE-5443076139	337.459	XIXDXTKNMZYEQG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-090013
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCC(CC1)N	EMOLS-id_328215163,MCULE-2474172746	337.459	FPGBZAVRZBTMTF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-090014
O=C(C1(CCCCCC1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318785454	337.459	YJAQPDLJFLWVPA-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-090015
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1ccccc1	PC-id_92109809	337.459	BJTSFVIAVDFUTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090017
Cc1sc2c(n1)CN(C2)S(=O)(=O)N(CCc1ccccc1)C	MCULE-2015011499,EMOLS-id_320306718	337.46	WISXXXJZWDNMNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090018
N#Cc1c(NC(=O)CCN2CCS(=O)CC2)sc2c1CCC2	EMOLS-id_98615688	337.46	REKLCSDKYMNFNH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090019
N#Cc1c(NC(=O)C(N2CCS(=O)CC2)C)sc2c1CCC2	EMOLS-id_98910824	337.46	NIRIIUKQHYPWLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090020
O=S(=O)(c1ccccc1)Nc1c2CSCc2nn1C(C)(C)C	PC-id_69226576,SCHEMBL4878794	337.46	FYQYEJYOYFDTHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090021
O=S(=O)(NCCc1nc2CCCc2s1)NCc1ccccc1	PC-id_56894633,ZINC22_72150784,EMOLS-id_43108743,MCULE-6572400185	337.46	PGBCJTJCCYANJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090022
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC)C(=O)N	PC-id_51611953	337.46	CXRFTNIETXPQQO-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-090023
s1c2c(CCC2)c(c1NC(=O)N1CC[NH+](CC1)C(C)C)C(=O)N	PC-id_25825147	337.46	OYNBGFMTYWJNSB-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-090024
S1c2n(cc(n2)C[NH2+]C[C@]2(O)CCCN(CC3CC3)C2=O)CC1	PC-id_42520314	337.46	WHHOLGWWTLHZOT-MRXNPFEDSA-O	00100010100010000001000010000000000000000000000000000000	25-01-090025
S1c2n(cc(n2)C[NH2+]C[C@@]2(O)CCCN(CC3CC3)C2=O)CC1	PC-id_42520317	337.46	WHHOLGWWTLHZOT-INIZCTEOSA-O	00100010100010000001000010000000000000000000000000000000	25-01-090026
S1c2n(cc(n2)C[NH2+]CC2(O)CCCN(CC3CC3)C2=O)CC1	PC-id_74811260	337.46	WHHOLGWWTLHZOT-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-090027
S(=O)(=O)(NCCc1nc2SCCn2c1)c1cc(c(cc1)C)C	PC-id_7640526	337.46	WMLJBRKYIWRYND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090028
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(cc(cc1)C)C	PC-id_7640527	337.46	QXLXJSVEMBZAMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090029
S(=O)(=O)(NCCc1nc2SCCn2c1)c1ccc(cc1)CC	PC-id_7640539	337.46	PZOLHHKIADKINZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090030
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(ccc(c1)C)C	PC-id_7640574	337.46	JEWPHDZPDGIAIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090031
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(c(ccc1)C)C	PC-id_7640578	337.46	CZQNZBCZGNLBKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090032
S(=O)(=O)(NCCc1nc2SCCn2c1)CCc1ccccc1	PC-id_7640568	337.46	UXFPXTQTNCSUBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090033
COCCCN(CCNC(=NCc1nnc2n1CCC2)NCC)C	PC-id_111650562	337.464	XRRNWVODTCWUTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090034
O=C(NC(c1nnc(s1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007098	337.464	FMCIRGVRQGUVDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090035
c12CCCc1c(C(=O)OCC)c(NC(=O)C(CC)CCCC)s2	MCULE-2241706553,EMOLS-id_5372567,PC-id_4277859	337.477	AZMNGMQBLHFFKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090036
CCCC[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)CC	PC-id_92258854	337.477	AZMNGMQBLHFFKC-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090037
CCCC[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)CC	PC-id_92258856	337.477	AZMNGMQBLHFFKC-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090038
s1c2c(CCC2)c(c1NC(=O)CCCCCCCC)C(=O)OC	PC-id_3343610	337.477	RIKJDTICVQSMOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090039
s1c2c(CCC2)c(c1NC(=O)CCCCCCC)C(=O)OCC	PC-id_3591191	337.477	RFLQIRGXHQSDME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090040
s1c2c(C(CC2)(C)C)c(c1NC(=O)CC(C)(C)C)C(=O)OCC	PC-id_71530916	337.477	CUTCVEUMHPJUFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090041
c1(NC(=O)CC2CCCCC2)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_5442391,PC-id_756232,MCULE-1318349364	337.48	FCRITROYWALSSY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090042
CCC1(CCOCC1)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003675	337.48	FIGRRGMFAJMYIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090043
CC(c1nc2c(s1)CCC2)NC1CCN(C1)C(=O)OC(C)(C)C	EMOLS-id_49925662,MCULE-1099684287,PC-id_86785281	337.48	DYPMITOOLSWLGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090044
CC(C1OCCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102010743	337.48	KSKAZVVRVOJNCA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-090045
CCC(C1CCOCC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003681	337.48	YZRRZNPHSWCUIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090046
CC(C)(C)n1nc2c(c1NC(=O)CC1CCCCC1)C[S@](=O)C2	CoCoCo_4984767,ZINC22_212233,PC-id_44160783	337.48	FCRITROYWALSSY-QHCPKHFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090047
CC(C)(C)n1nc2c(c1NC(=O)CC1CCCCC1)C[S@@](=O)C2	CoCoCo_4984768,PC-id_44167729,ZINC22_8553305	337.48	FCRITROYWALSSY-HSZRJFAPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090048
CC(CN(C1CCCCC1)CC(=O)Nc1sc2c(n1)CCC2)O	PC-id_111434320	337.48	LYTWVQZRUSWYRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090049
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCC2	PC-id_99853011,ZINC22_195555952	337.48	DYPMITOOLSWLGO-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090050
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCC2	ZINC22_195555948,PC-id_99853009	337.48	DYPMITOOLSWLGO-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090051
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCC2	ZINC22_195555950,PC-id_99853010	337.48	DYPMITOOLSWLGO-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090052
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCC2	ZINC22_195555954,PC-id_99853012	337.48	DYPMITOOLSWLGO-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090053
COC1(C)CC(C1(C)C)N(CC(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_42914913,PC-id_72114646,MCULE-4031963587	337.48	ONPHLHWXUJXUFQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-090054
COC1CCC(CC1)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003753	337.48	RITFCCCMDHNIIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090055
CO[C@]1(C)C[C@@H](N(C)CC(=O)Nc2nc3c(s2)CCC3)C1(C)C	PC-id_95783845,ZINC22_72305306	337.48	ONPHLHWXUJXUFQ-CXAGYDPISA-N	00001010100000000001000010000000000000000000000000000000	25-01-090056
CO[C@]1(C)C[C@H](N(C)CC(=O)Nc2nc3c(s2)CCC3)C1(C)C	PC-id_95783846,ZINC22_72305307	337.48	ONPHLHWXUJXUFQ-SUMWQHHRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-090057
CO[C@@]1(C)C[C@H](N(C)CC(=O)Nc2nc3c(s2)CCC3)C1(C)C	PC-id_95783848,ZINC22_72305309	337.48	ONPHLHWXUJXUFQ-GUYCJALGSA-N	00001010100000000001000010000000000000000000000000000000	25-01-090058
c1(NC(=O)C(C)Oc2ccc(cc2)Cl)n(C)nc2CSCc12	MCULE-4320365811,EMOLS-id_334564028	337.824	GAWFKYDWHGIOAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090120
CO[C@@]1(C)C[C@@H](N(C)CC(=O)Nc2nc3c(s2)CCC3)C1(C)C	ZINC22_72305308,PC-id_95783847	337.48	ONPHLHWXUJXUFQ-DYVFJYSZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-090059
OC1CCCCC1CN(C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102005736	337.48	SEVOHQFKDLTYNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090060
O=C(CC1CCOC(C1)C(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99830215	337.48	PJINEHJKDNNUOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090061
OC(CN(C(=O)c1sc2c(c1)CCC2)C)CN1CCN(CC1)C	PC-id_112299468	337.48	VELOIPZLZVFLGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090062
O=C(Nc1c2C[S@](=O)Cc2nn1C(C)(C)C)CCC1CCCC1	CoCoCo_4984791,PC-id_40514476	337.48	XEFKJQIVHYSFRE-QHCPKHFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090063
O=C(Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C)CCC1CCCC1	CoCoCo_4984792,PC-id_40768401	337.48	XEFKJQIVHYSFRE-HSZRJFAPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090064
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCOC(C1)C(C)C	EMOLS-id_102005682	337.48	HEILPZQNTLYLOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090065
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCOC(C1)(C)C	EMOLS-id_102010875	337.48	WADINPWJQBEZSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090066
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCC1CCOC(C1)C	EMOLS-id_102005799	337.48	XARRLPRKHGTQDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090067
O=S(=O)(c1cnc2n1CCC2)N1CCCC1CC1CCCCC1	EMOLS-id_100203291	337.48	ZJASZKMQZJAOLZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090068
O=S(=O)(c1cnc2n1CCC2)N1CCCC1CCC1CCCC1	EMOLS-id_100223704,MCULE-6138039687	337.48	SFTJKLODUCEQOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090069
O=S(=O)(c1cnc2n1CCC2)N1CCC[C@H]1CCC1CCCC1	ZINC22_330018085	337.48	SFTJKLODUCEQOU-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090070
O=S(=O)(c1cnc2n1CCC2)N1CCC[C@@H]1CCC1CCCC1	ZINC22_330018086	337.48	SFTJKLODUCEQOU-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090071
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)CCC1CCCC1	PC-id_756238	337.48	XEFKJQIVHYSFRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090072
CC1CN(CC)C(CN1C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_99852701	337.483	VDCBWDJTUPBEBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090073
CC1SC(C)CN(C1)C(=O)NC(c1nnc2n1CCC2)C(C)C	EMOLS-id_49067424,PC-id_71990201,MCULE-2288920261	337.483	JYHAJWRYGCGVCY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090074
CC(C(c1nnc2n1CCC2)NC(=O)N1CCSC(C1C)C)C	EMOLS-id_49028201,PC-id_72009740,MCULE-8658114870	337.483	PWZGALJDHOWNCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090075
CC(C)[C@@H](NC(=O)N1C[C@H](C)S[C@H](C)C1)c1nnc2n1CCC2	PC-id_97583257,ZINC22_96440024	337.483	JYHAJWRYGCGVCY-MBNYWOFBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090076
CC(C)[C@H](NC(=O)N1C[C@H](C)S[C@H](C)C1)c1nnc2n1CCC2	ZINC22_195531360,PC-id_99847283	337.483	JYHAJWRYGCGVCY-SCRDCRAPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090077
CC(C)[C@H](NC(=O)N1C[C@@H](C)S[C@H](C)C1)c1nnc2n1CCC2	ZINC22_252581662	337.483	JYHAJWRYGCGVCY-BZPMIXESSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090078
CC(C)[C@@H](NC(=O)N1C[C@@H](C)S[C@H](C)C1)c1nnc2n1CCC2	ZINC22_96440026,PC-id_97583259	337.483	JYHAJWRYGCGVCY-YRGRVCCFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090079
CC(C)[C@H](NC(=O)N1CCS[C@@H](C)[C@@H]1C)c1nnc2n1CCC2	PC-id_99104369,ZINC22_110601917	337.483	PWZGALJDHOWNCK-OBJOEFQTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090080
CC(C)[C@H](NC(=O)N1CCS[C@H](C)[C@@H]1C)c1nnc2n1CCC2	ZINC22_110601913,PC-id_99104368	337.483	PWZGALJDHOWNCK-SCRDCRAPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090081
CC(C)[C@H](NC(=O)N1CCS[C@H](C)[C@H]1C)c1nnc2n1CCC2	ZINC22_245339000	337.483	PWZGALJDHOWNCK-BZPMIXESSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090082
CC(C)[C@H](NC(=O)N1CCS[C@@H](C)[C@H]1C)c1nnc2n1CCC2	ZINC22_245339001	337.483	PWZGALJDHOWNCK-DYEKYZERSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090083
CN1CCN(CC1)CCNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318964608	337.483	ALRGJJPXGGSPDB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090084
CN1CCN(C(C1)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102002088	337.483	VMNJUDNCRHRWNU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090085
CSC1CCC(C1)NC(=O)NC(c1nnc2n1CCC2)C(C)C	MCULE-2590518870,EMOLS-id_49067422,PC-id_71990202	337.483	XYWWWWUQCLXECF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090086
CS[C@@H]1CC[C@@H](NC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)C1	PC-id_100895277,ZINC22_230110189	337.483	XYWWWWUQCLXECF-BZPMIXESSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090087
CS[C@@H]1CC[C@@H](NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)C1	PC-id_99106747,ZINC22_110638345	337.483	XYWWWWUQCLXECF-YRGRVCCFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090088
CS[C@@H]1CC[C@H](NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)C1	ZINC22_110638341,PC-id_99106746	337.483	XYWWWWUQCLXECF-OUCADQQQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090089
CS[C@@H]1CC[C@H](NC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)C1	ZINC22_230110181,PC-id_100895273	337.483	XYWWWWUQCLXECF-SCRDCRAPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090090
S(C1c2n(CC1)ccc2CSc1ccccc1)c1ccccc1	PC-id_190126	337.502	ROIVVSMVOIEJRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090091
s1c2CCCc2cc1C(=O)NNC(=S)NC1C(CCCC1)C	PC-id_84828023	337.503	SNBDVJOWZDYFAL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090092
s1c2CCCc2cc1C(=O)NNC(=S)N[C@H]1[C@@H](CCCC1)C	PC-id_8746053	337.503	SNBDVJOWZDYFAL-ZYHUDNBSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090093
s1c2CCCc2cc1C(=O)NNC(=S)N[C@H]1[C@H](CCCC1)C	PC-id_8746062	337.503	SNBDVJOWZDYFAL-CMPLNLGQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090094
s1c2CCCc2cc1C(=O)NNC(=S)N[C@@H]1[C@@H](CCCC1)C	PC-id_8746072	337.503	SNBDVJOWZDYFAL-PWSUYJOCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090095
s1c2CCCc2cc1C(=O)NNC(=S)N[C@@H]1[C@H](CCCC1)C	PC-id_8746076	337.503	SNBDVJOWZDYFAL-JQWIXIFHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090096
CCOC(=O)c1nn2c(n1)C(CC2CC)C[Si](C(C)(C)C)(C)C	PC-id_141651177	337.532	UIYWWAJYIZMZBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090097
n1(c2c(C(CC2)CCCCCCC)cc1CCC)Cc1ccccc1	PC-id_53387454	337.541	KQZZZOVBFHLQPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090098
COC(=O)c1c(NC(=O)c2cc(F)ccc2Cl)nc2n1CCC2	EMOLS-id_177330520	337.733	MPHLYQNBTVBFAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090099
c1(NC(=O)COc2ccc(c(C)c2)Cl)n(C)nc2CSCc12	MCULE-7214280747,EMOLS-id_334562492	337.824	BCQJAMUWUVWMMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090121
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)F)CC	STOCK6S-74764,MCULE-1663591530,EMOLS-id_24585169,PC-id_135649933	337.737	ZIVZMKKJNSWRNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090100
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2	PC-id_135950701,ZINC22_20745644	337.737	ZIVZMKKJNSWRNY-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-090101
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2	ZINC22_20745643,PC-id_135950700	337.737	ZIVZMKKJNSWRNY-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090102
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)O)c2=O	MCULE-2514741671	337.738	JBZYKSHUXCGMTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-090103
OC(=O)COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O	EMOLS-id_190367227,ZINC22_256027903,PC-id_117588189	337.738	JBZYKSHUXCGMTH-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-090104
O=C(C(Oc1ccc(cc1Cl)F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320107441,MCULE-5972254597	337.776	ISCNPKAKQGIJJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090105
CN(Cc1c(F)cccc1Cl)C(=O)NCc1nnc2n1CCC2	PC-id_52380252,MCULE-2657381897,ZINC22_55077731,EMOLS-id_36627160	337.78	ZDBXIQRVPLVODC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090106
c1(C(=O)c2ccc(F)cc2)c2CCCc2sc1NC(=O)CCl	EMOLS-id_6515625,ASN-04061316,PC-id_860206,MCULE-7954814170	337.796	YNGIQRFMOSQDQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090107
CC(C)(C)c1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324850916	337.8	SQAXKORAFJXJDG-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-090108
CC(C)Cc1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324861152	337.8	KUYBSIUXPBADKM-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-090109
Clc1cc2c(s1)C(=O)N(CCCC1OCCO1)S2(=O)=O	PC-id_49874985,EMOLS-id_320341187,ZINC22_96190570,MCULE-3901364759,SPECS-id_AU-059/43515480	337.8	XONCEHAMRMVSGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090110
n12c(=O)c(=Cc3c(cccc3F)Cl)sc1nc(C(C)(C)C)n2	MCULE-1226464060	337.8	SQAXKORAFJXJDG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-090111
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CC(C)C	MCULE-1997487927	337.8	KUYBSIUXPBADKM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-090112
Cc1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324837614	337.808	KDUDBVMQMWKNAX-BAQGIRSFSA-N	00000000100000000001000110000000000000000000000000000000	25-01-090113
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)C	MCULE-5442682308	337.808	KDUDBVMQMWKNAX-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-090114
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(s1)Cl)C	SCHEMBL11664137,PC-id_20356121	337.821	BLTZYAAJOYMNST-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-090115
CC(OC(=O)C1CCn2c1ccc2C(=O)c1scc(c1)Cl)C	PC-id_20356129,SCHEMBL11659992	337.821	RDBCXNHEHHCFLT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-090116
Clc1ccc(OCCN2Cc3c(sc(c3)C(=O)CO)C2)cc1	PC-id_58157693	337.821	ICJNVZHWZDMJMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090117
Clc1cc(NC(=O)c2sc3CCCc3c2)c(OC)cc1OC	PC-id_26210367	337.821	UAOHWOMONCSWAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090118
Clc1c(OC)cc(NC(=O)c2sc3CCCc3c2)c(OC)c1	PC-id_9162760	337.821	RAGUYJPUHPEXEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090119
Clc1ccc(cc1)C1CCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98581759	337.824	YWRCCXPQVRSTPN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-090122
Clc1cccc(c1)C1CN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101313903	337.824	BQPKRQLLKNUZJQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-090123
Clc1cc(C[NH2+]C(c2n3CCCc3nn2)C)cc(OC)c1OC	PC-id_75889819	337.824	NYLOCXKUJSNLPR-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-090124
Clc1cc(C[NH2+][C@H](c2n3CCCc3nn2)C)cc(OC)c1OC	PC-id_52641298	337.824	NYLOCXKUJSNLPR-JTQLQIEISA-O	00000010100000110001000010000000000000000000000000000000	25-01-090125
Clc1cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc(OC)c1OC	PC-id_52641300	337.824	NYLOCXKUJSNLPR-SNVBAGLBSA-O	00000010100000110001000010000000000000000000000000000000	25-01-090126
O=C(CS(=O)c1ccc(cc1)Cl)NCc1cnc2n1CCC2	EMOLS-id_319698275	337.824	VNTQVTREEGDVTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090127
CSc1ccc(cc1Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319125780	337.828	USVZEMBQUWKMGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090128
CSc1ccc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)Cl	EMOLS-id_319664745	337.828	CSWASUYAPOXETJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090129
CCOC(=O)c1c(sc2c1CCC2)NS(=O)(=O)CCCl	PC-id_107650851	337.843	UPWCUHXUNAMRIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090130
ClCCCS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_43654215	337.843	FRLMSHCVOCXVDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090131
O=C(c1sc2c(c1Cl)ccs2)NCc1cnc2n1CCC2	EMOLS-id_319525829	337.848	GYFBYKQRWJWEMG-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-090132
COc1ccc(cc1Cl)C(NCCc1cn2c(n1)SCC2)C	EMOLS-id_318271276	337.867	HKPMQRQIKDTBNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090133
Clc1ccc(SCCNC(=O)c2sc3CCCc3c2)cc1	PC-id_9258939	337.887	QFRUWRXMACWCFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090134
ClCC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)(C)C	PC-id_92109748	337.887	RVPBQVWDBWQHBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090135
Clc1sc2c(C(NC(C3CCCC3)c3sccc3)CC2)c1	PC-id_81233890	337.93	AAEMRBXLLTUEHJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-090136
CC(C)(C)[Si](C)(C)OC1=C(CC2=C(SC(=C21)Cl)Cl)F	PC-id_150931674	338.013	LGDYGVBPWHATCP-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-090137
CC1(C(=O)c2c(sc(c2C1=O)Br)Br)C	PC-id_90367832,SCHEMBL15984649	338.016	KNQVBODHSJUXHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090138
CS(=O)(=O)N1CC2=C(C1)NN=C2C(C3=CC=CC=C3F)C(=O)N	PC-id_153863747	338.085	LZTZVVYLWQZDFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090139
CS(=O)(=O)N1CC2=C(C1)NN=C2C(C3=CC(=CC=C3)F)C(=O)N	PC-id_153863748	338.085	ALWPWOGKCJMEEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090140
CS(=O)(=O)N1CC2=C(C1)NN=C2C(C3=CC=C(C=C3)F)C(=O)N	PC-id_153863749	338.085	ZLUBBTNGRBECNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090141
IC(=O)Nc1nn(c2c1CNC2(C)C)P	SCHEMBL19312202	338.085	VNCAEHMSTINGEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090142
CC1(CCOCC1)NC(=O)C(=O)C2=CC(=C3N2CCC3)C(=O)Cl	PC-id_164801015	338.103	DMJVUASTZVRFRS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090143
CC1=NC(=CC=C1)N(C)C(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F	PC-id_154781110,MCULE-2314212680,EMOLS-id_317770912	338.135	WIYMNZBIPWYPFL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090144
CCC1=NN2CCN(C2=C1C(=O)N)CC3=CC(=CC=C3)C(F)(F)F	PC-id_161988125	338.135	YQOGNVRLXQVNJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090145
CC1CCc2c1c(I)nn2CC1CC1(F)F	EMOLS-id_330980089,MCULE-6206768316	338.136	OYLMDBAYZZVZMX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-090146
CC1CCc2nn(CC3CC3(F)F)c(I)c12	MCULE-4438689352,EMOLS-id_330964149	338.136	LXERQBPKLVUNGE-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-090147
CC(C)(C)C(=O)NC1=NC2=C(S1)C(=NC2)NC(=O)OC(C)(C)C	PC-id_160220201	338.141	VPDGQZCYOMNCRK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-090148
B(C1=CC2=C(S1)C(N(C2=O)CN3CCOCC3)(C)C)(OC)OC	PC-id_164771790	338.147	MXXBBXJEPBWCHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090149
Brc1cc(oc1)C(=O)c1n2c(C(CC2)C(=O)O)cc1C	PC-id_20356069,SCHEMBL11660543	338.153	HAHTWOVIHUVBDK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-090150
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccoc1	PC-id_20528105,SCHEMBL11261456	338.153	IHOYYEQFECWRKL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-090151
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1occc1	PC-id_20528100,SCHEMBL11278483	338.153	KPDWNVDQMASERX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-090152
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1occc1C	PC-id_20456502,SCHEMBL11064409	338.153	ZJFSZIBXDNISCP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-090153
Brc1oc(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cc1	SCHEMBL11661870,PC-id_20356068	338.153	OAHMIWIPXHMCNP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-090154
Cn1nc2c(c1NC(=O)c1ncnc(O)c1Br)CCC2	MCULE-4913553612,EMOLS-id_316490100,PC-id_136558803,ZINC22_952883502	338.16	OKWCIBMHWYSOLW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-090155
C[C@H](C1=CC=CC=C1)C(=O)N2CC3=C(C2)N(N=C3C(=O)NC4CC4)C	PC-id_164640205	338.174	UYNWOZNNXWKGMV-GFCCVEGCSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090156
Brc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_317928789,MCULE-3628546936	338.175	DLIIFKKYRNCURO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090157
Brc1ccc(c(c1)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317967024,MCULE-3238491937	338.175	WRPRXBGEBOIFJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090158
Cn1nc2c(c1NC(=O)c1cc(F)cc(Br)c1)CCC2	EMOLS-id_32092622,MCULE-4723763095,ZINC22_48290758,PC-id_47074154	338.175	VHUHWDGVDJYBHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090159
Fc1cc(Br)cc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319663011	338.175	ZRVODBILWNYVRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090160
Fc1cc(Br)cc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320190871,MCULE-8952226520	338.175	BLGLHLMGBGPLOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090161
Fc1ccc(c(c1)Br)C(=O)NCc1cnc2n1CCC2	EMOLS-id_317922943	338.175	VAMPJAQZDJGISY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090162
Fc1ccc(c(c1)Br)C(=O)NCc1n[nH]c2c1CCC2	MCULE-3396907746,EMOLS-id_320127574	338.175	BKPUIHDAFUIBIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090163
Fc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)Br	MCULE-6956276852,EMOLS-id_317965431	338.175	UPQZDPFDZQLGBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090164
Fc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)Br	EMOLS-id_320052283,MCULE-1901436249	338.175	FMLKIHCNGMHJRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090165
O=C(c1ccc(c(c1)Br)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319713598	338.175	HSZUAXLCMUGZMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090166
O=C(c1c(F)cccc1Br)NCc1cnc2n1CCC2	MCULE-6300320877,EMOLS-id_317958006	338.175	GQENSAFKZADLBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090167
O=C(c1c(F)cccc1Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319849082,MCULE-8118253130	338.175	UIGWRPHGFUXPPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090168
CN1C(=C2CCCC2=N1)CN3CCCN(CC3)S(=O)(=O)C4CC4	MCULE-9915123707,ZINC22_1889136072,EMOLS-id_324564296,PC-id_154829980	338.178	XWFHYYULXGAVJR-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-090169
COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O	EMOLS-id_2456424,ZINC22_16266865	338.18	LMHTZWYGEWMTNP-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-090170
COc1ccc(Br)cc1C=c1sc2ncnn2c1=O	MCULE-9798598030,ZINC22_263632527,EMOLS-id_300084036	338.18	LMHTZWYGEWMTNP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-090171
Clc1c2n(CCC2C(=O)O)c(c1Cl)C(=O)c1ccc(cc1)C	PC-id_20405053,SCHEMBL11006752	338.185	KNEUFTLSPHOSHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090172
Clc1c2n(CCC2C(=O)OC)c(c1Cl)C(=O)c1ccccc1	SCHEMBL11001436,PC-id_20405046	338.185	YPMIQMVFFDRBQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090173
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(Cl)cc1	PC-id_13068183,SCHEMBL11275723	338.185	VLWWJGIOTSNHET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090174
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1cc(Cl)ccc1	PC-id_20528140,SCHEMBL11271075	338.185	YNVUFTXKYQXZSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090175
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1c(Cl)cccc1	PC-id_20528143,SCHEMBL11274820	338.185	OTVWCBLCYCDXNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090176
c12C(C)CCc1n(nc2I)Cc1ccccc1	MCULE-3897190320,EMOLS-id_330979317	338.187	PIEOTSGJXICBRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090177
c12C(C)CCc1nn(Cc1ccccc1I)c2	EMOLS-id_331000747,MCULE-3001624785	338.187	PCNLQZWCDKKOBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090178
c12C(C)CCc1nn(Cc1ccc(cc1)I)c2	MCULE-2264882173,EMOLS-id_331000235	338.187	PEHXRBSTORVNIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090179
c12C(C)CCc1nn(Cc1cccc(I)c1)c2	MCULE-7800299965,EMOLS-id_331000491	338.187	QPRWYICMEXAZAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090180
CC1CCc2c1cnn2Cc1ccccc1I	MCULE-7128222670,EMOLS-id_331014894	338.187	BAOPFZPTHQAWQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090181
CC1CCc2c1cnn2Cc1cccc(I)c1	MCULE-9721153084,EMOLS-id_331014638	338.187	AGRLRCCOVCCQDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090182
CC1CCc2c1cnn2Cc1ccc(I)cc1	MCULE-5529943372,EMOLS-id_331014382	338.187	DFZKNFFMKZVXFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090183
CC1CCc2nn(Cc3ccccc3)c(I)c12	MCULE-2662202929,EMOLS-id_330963377	338.187	COALOFLZYDDUCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090184
N#Cc1ccc(c(c1Br)F)Nc1sc2c(n1)CCC2	PC-id_107533414	338.198	KSHWIRQDTIOXQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090185
OCCc1cc(Br)ccc1OCc1nnc2n1CCC2	EMOLS-id_319486735	338.2	MMTPBOHCOJTFQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090186
Brc1cc(n(c1)C)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_60763936	338.203	ZIRPFGAEPVBRDS-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-090187
Brc1cc(n(c1)C)C(=O)NC(c1n2CCCc2nn1)C	PC-id_60763950	338.203	CKNJEJCTEHCIHE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-090188
Cc1nn(C(C)C)cc1C(=O)N1CCn2ncc(Br)c12	ZINC22_1875268446	338.203	SUKIIQGFMGDXFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090189
CCc1n[nH]c(c1Br)C(=O)NCc1cnc2n1CCC2	MCULE-2325899967,EMOLS-id_320012237	338.203	URLQBJAVUOICRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090190
CCn1cc(c(n1)C(=O)NCc1cnc2n1CCC2)Br	EMOLS-id_319174592	338.203	XEJSPVDCYFORRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090191
CCn1cc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)Br	EMOLS-id_319461238	338.203	IEBLMLLJBTWXKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090192
CCn1ncc(c1C(=O)NCc1cnc2n1CCC2)Br	EMOLS-id_319000592	338.203	CHNLMCMEVDUFRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090193
Cn1cc(c(n1)CNC(=O)c1nn2c(c1Br)CCC2)C	EMOLS-id_319586131	338.203	GDXAKYDKXPIBHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090194
O=C(c1c(Br)nc2n1CCC2)Nc1ccn(n1)C(C)C	EMOLS-id_318379906	338.203	BKBQAOMOGVIQNT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090195
O=C(c1c(Br)nc2n1CCC2)NCc1[nH]nc(c1C)C	EMOLS-id_319580164	338.203	GJEHSZPMBLTLFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090196
O=C(c1n(C)nc(c1Br)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318918520	338.203	RENUICWWKPHRBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090197
O=C(c1nn(c(c1Br)C)C)NCc1cnc2n1CCC2	EMOLS-id_319857275,MCULE-3075908725	338.203	QDCLYSYICLGDJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090198
O=C(C(n1ncc(c1)Br)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320172345,MCULE-3244581138	338.203	NBMVWZDJBMKGGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090199
BrCCN(C(=O)c1sc2c(c1)CCC2)CC(F)F	PC-id_113965898	338.211	XZBCEQGSUSXDHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090200
C1CC2=C(C1)NN=C2C(=O)NCC3CCN(C3)CCC4=CC=CC=C4	MCULE-2034761217,EMOLS-id_317262007,PC-id_154747683	338.211	NLXYEYPDGDTTHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090201
CC(N1C(S)(I)c2c(C1(C)N)[nH]nc2)C	PC-id_144729490	338.212	WBLRYJAVRZRJPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090202
Clc1cc(C(=O)Nc2sc3CCCc3c2C#N)cnc1Cl	PC-id_60629728	338.212	RSBSCDFZRCGZNW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090203
Clc1c(nc(Cl)cc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_60629734	338.212	QKXCZHQNKUSWGM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090204
Clc1nc(Cl)cc(C(=O)Nc2sc3CCCc3c2C#N)c1	PC-id_60629672	338.212	CBXSEIIVWWIOEX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090205
N#Cc1c(NC(=O)c2cc(Cl)ncc2Cl)sc2c1CCC2	PC-id_114917602	338.212	ATRHVEXBAYZXGD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090206
CC1CCc2c1c(CN)nn2Cc1cc(Br)ccc1F	MCULE-2468153193,EMOLS-id_331015152	338.218	FYEMISNPYHLLED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090207
CC1CCc2c1c(CN)nn2Cc1ccc(Br)cc1F	EMOLS-id_331013631,MCULE-6625743932	338.218	RAVFYUKRKHRGFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090208
CC1CCc2c1c(CN)nn2Cc1ccc(Br)c(F)c1	EMOLS-id_331013887,MCULE-6854880978	338.218	NGRWBYZFCVFMAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090209
CC1CCc2c1c(CN)nn2Cc1cccc(Br)c1F	EMOLS-id_331015408,MCULE-5392629415	338.218	GDCSRUBSRLZJIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090210
CC1CCc2c1c(CN)nn2Cc1cccc(F)c1Br	EMOLS-id_331017456,MCULE-7186320661	338.218	VDZVUJZGVWUYTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090211
CC1CCc2c1c(CN)nn2Cc1ccc(F)c(Br)c1	MCULE-7996868057,EMOLS-id_331014896	338.218	TUAXVLXYNFUGLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090212
CC1CCc2c1c(CN)nn2Cc1ccc(F)cc1Br	MCULE-7023143899,EMOLS-id_331016944	338.218	AYRGOWHJFPOKSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090213
CC1CCc2c1c(CN)nn2Cc1cc(F)cc(Br)c1	MCULE-5207644849,EMOLS-id_331015664	338.218	DATOESCUHDLIRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090214
CC1CCc2c1c(CN)nn2Cc1c(F)cccc1Br	EMOLS-id_331017200,MCULE-8390796871	338.218	YMWKOHFYYPXPHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090215
CC1CCc2c1c(N)nn2Cc1c(F)ccc(C)c1Br	MCULE-7448747917,EMOLS-id_330963960	338.218	AHHKXZPQZJASIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090216
CC1CCc2nn(Cc3cc(Br)ccc3F)c(CN)c12	EMOLS-id_330996922,MCULE-8107920385	338.218	HKHCGNBGHFPCAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090217
CC1CCc2nn(Cc3ccc(Br)cc3F)c(CN)c12	EMOLS-id_330995386,MCULE-1871039225	338.218	CVSGWBWOYIKAGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090218
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(CN)c12	EMOLS-id_330995642,MCULE-7574290887	338.218	LARVDKAWUZEQNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090219
CC1CCc2nn(Cc3cccc(Br)c3F)c(CN)c12	MCULE-3869237981,EMOLS-id_330997178	338.218	JBNIKASUEMRGFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090220
CC1CCc2nn(Cc3cccc(F)c3Br)c(CN)c12	MCULE-5177484407,EMOLS-id_330995131	338.218	WCDMNNCVNQIGLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090221
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(CN)c12	EMOLS-id_330996666,MCULE-8869046841	338.218	ALPVKWLMQWWNOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090222
CC1CCc2nn(Cc3ccc(F)cc3Br)c(CN)c12	EMOLS-id_330994619,MCULE-2030046452	338.218	XWTFPTRBYOUPRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090223
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(CN)c12	EMOLS-id_330997434,MCULE-4769014254	338.218	CXCBUXDCCZGXBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090224
CC1CCc2nn(Cc3c(F)cccc3Br)c(CN)c12	EMOLS-id_330994875,MCULE-8189243714	338.218	FJJKRWBNFBLECD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090225
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(N)c12	MCULE-1207333996,EMOLS-id_331013029	338.218	IVSZWLRYNMUMIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090226
CC(Cc1cc(Br)ccc1F)NC1CCn2c1ncc2	EMOLS-id_318227614,MCULE-8041790487	338.218	YUNCPELAGJVPRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090227
CC(NC1CCn2c1ncc2)Cc1ccc(c(c1)Br)F	EMOLS-id_318363193,MCULE-2626748535	338.218	GCKBOLKXCRHTMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090228
OC(=O)C1CCc2c1nc(s2)Cc1cccc(c1)Br	PC-id_104287286	338.22	HJTZGADQQOXHMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090229
OC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1)Br	PC-id_104287317	338.22	RDKXKHSFQSLPHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090230
OC(=O)C1CCc2c1nc(s2)Cc1ccccc1Br	PC-id_104287359	338.22	XWSLLWHZEJCVAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090231
O=C(OCc1cncc(Br)c1)c1cc2c(s1)CCC2	ZINC22_41898941,EMOLS-id_45636539,PC-id_71941973,MCULE-8920323938	338.22	MRURVEWXYXFDIK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090232
Brc1cccc(c1)C(=O)Nc1n(C)nc2c1CSC2	EMOLS-id_36794805,STOCK7S-25808,PC-id_60178953,MCULE-6303653527,ZINC22_72402009	338.223	GSGYSLVKTOQMRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090233
Brc1cc(C(=O)Nc2sc3CCCc3n2)ccc1N	PC-id_64320345	338.223	FVLQORCSOKAHLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090234
Brc1cc(C(=O)Nc2sc3CCCc3n2)cc(N)c1	PC-id_81550848	338.223	DXPLAVMWLPUIAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090235
Brc1cc(C(=O)Nc2sc3CCCc3n2)c(N)cc1	PC-id_81680218	338.223	GMCXOCBUWVHBQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090236
Brc1cc(N)c(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_79722411	338.223	QYCSVSQJEGCWQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090237
Brc1c(C(=O)Nc2sc3CCCc3n2)cc(N)cc1	PC-id_61944119	338.223	YSBYJBQKKIYHFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090238
Brc1c(N)cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_61507821	338.223	MIJSGPJABHAWAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090239
Brc1c(NC(=O)c2sc3CCCc3c2)ncc(N)c1	PC-id_65711208	338.223	DBTXOIVZNMVYKY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090240
c1(NC(=O)c2ccccc2Br)n(C)nc2CSCc12	MCULE-9502312899,EMOLS-id_334564276	338.223	KVWGAGGBOHEVDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090241
O=C(c1cccc(c1Br)N)Nc1sc2c(n1)CCC2	PC-id_104027958	338.223	GCCVGJCWAHQSAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090242
CCOC(=O)c1cc2c(n1Cc1ccc(c(c1)Cl)Cl)CCC2	PC-id_9797925,SCHEMBL7969831	338.228	HMSPLZOQHPAQMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090243
Cn1nc2c(c1NC(=O)CCc1ccc(Cl)cc1Cl)CCC2	MCULE-9649606249,ZINC22_58425089,PC-id_47777211,EMOLS-id_33361521	338.232	ZTWLUNAKSZOJOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090244
O=C(C(c1ccc(c(c1)Cl)Cl)C)NCc1cnc2n1CCC2	EMOLS-id_318822135	338.232	UHEOOUWJAWKNDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090245
O=C(NCc1n[nH]c2c1CCC2)CCc1ccc(c(c1)Cl)Cl	EMOLS-id_319547099	338.232	MNSNPJPJOSKGLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090246
C[C@H]1C(n2cncc2C1/C=CC=C=C)CC(=O)C1CCC(CC1)(C)C	PC-id_163607413	338.236	HCYNADDHWFGHIK-DYDWWHMXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090247
Brc1cnn(c1NCc1cnc2n1CCC2)C(C)(C)C	EMOLS-id_318476040,MCULE-4486786095	338.246	TUZZUHIWHNRNRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090248
O=S(=O)(CC1(C)CC1(Cl)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_318876252	338.253	WODQMSNZYOFWSB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-090249
Brc1cc(C(N)c2sc3c(CCC3)c2)ccc1OC	PC-id_43464579	338.263	PCBPGKWKJGFRPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090250
Brc1cc(C(N)c2sc3c(CCC3)c2)c(OC)cc1	PC-id_43464594	338.263	DFYVSDKZZVFHEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090251
Brc1cc(CNCc2sc3c(CCC3)c2)ccc1O	PC-id_63045206	338.263	FGKDEPJLBJJOCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090252
Brc1c(C(N)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_54919575	338.263	XKVFCHAVHVXVCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090253
Brc1c(O)c(CNCc2sc3c(CCC3)c2)ccc1	PC-id_61392127	338.263	YPICKDYZODQNML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090254
Brc1ccc(nc1)C(NCc1sc2c(n1)CCC2)C	MCULE-3466527970,EMOLS-id_318072619	338.266	BEYSNGGKVQZRPG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090255
Brc1sc2c(c1)C(CC2)NCCc1nccnc1C	EMOLS-id_318214292,MCULE-4312351567	338.266	MMPBGBWFDCUXQH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-090256
Cc1cnc(cn1)CCNC1CCc2c1cc(s2)Br	MCULE-5031785064,EMOLS-id_318219396	338.266	YPSOSGDLNNFFBR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-090257
CCc1nc(NCc2sc3c(c2)CCC3)cc(n1)Br	PC-id_106194040	338.266	RYTUCQHELLOQLN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-090258
CCNC(c1sc2c(n1)CCC2)c1ccc(cn1)Br	PC-id_104272618	338.266	VPKYFVIOKWGISM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090259
CCNC(c1sc2c(n1)CCC2)c1cncc(c1)Br	PC-id_116064292	338.266	JXHMUIJURJPWSJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090260
NNC(c1sc2c(c1)CCC2)Cc1ccc(cn1)Br	PC-id_113704528	338.266	URFLSUYHGBKUQN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090261
NNC(c1sc2c(c1)CCC2)Cc1cncc(c1)Br	PC-id_105334743	338.266	AMSXSJVYFGCCTO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090262
CCC(CC1CCC2=C(C(=CN12)C)C(C)C)C3=C(NC4=C3CCC4)C	PC-id_155120842	338.272	UGAOSJNXDANBEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090263
c12CN(Cc1nn(CC(F)F)c2C(=O)NC1CC1)CC(F)(F)F	MCULE-4036542527,EMOLS-id_324357988	338.276	RLGNLSZVFVZABX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-090264
O=C(N1CCn2c1ncc2)CNC(=O)c1ccc(cc1)C(F)(F)F	EMOLS-id_320171536,MCULE-7168753787	338.285	FLUASQZINFQVLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090265
O=C(N1CCn2c1ncc2)CNC(=O)c1ccccc1C(F)(F)F	MCULE-2077592570,EMOLS-id_320040795	338.285	PDCJUMXKAZZFBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090266
O=C1CN(CN1CC(F)(F)F)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100522107	338.306	HAZWXUYCGMBSFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090267
COc1cc(C(=O)NCc2nnc3n2CCC3)ccc1OC(F)F	PC-id_17505577,EMOLS-id_16693775,ZINC22_12995163,CoCoCo_4474331,MCULE-6657803431	338.309	BGAWYDZUZGSGLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090268
C1Cn2c(ccn2)N1C[C@@H]1CC([C@@H](O1)n1ccc(nc1=O)N)(F)F	PC-id_134313869,SCHEMBL19934495	338.313	MNOUCQPRGIKXOM-JOYOIKCWSA-N	00000010100000100001100010000000000000000000000000000000	25-01-090269
FC(COc1cccc(n1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319659544	338.313	FKXPAQQQABRGMY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090270
FC(COc1ncccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319596306	338.313	YUEPYPDBYBFLBS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090271
O=C(NCc1ccnc(OC(F)F)c1)NCc1nnc2n1CCC2	PC-id_145886783,MCULE-5741822061,ZINC22_283883539,EMOLS-id_323989500	338.313	HDNWJJXNUQHYGJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090272
O=C(C1CCCO1)Nc1n(nc2c1CN(C2(C)C)C(=O)O)C(=O)O	PC-id_140138232	338.316	DLLLUKOQBBMIDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090273
CC(C)(C)OC(=O)N1CCn2c1cc(n2)NC(=O)NCC(=O)N=O	SCHEMBL12532989,PC-id_88932098	338.319	FCVYOLJTNQXZBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090274
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(c2C)C(F)(F)F)n1	EMOLS-id_330986741,MCULE-6673617599	338.324	SIUSQFDSLPZHFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090275
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(c2)C(F)(F)F)C)n1	EMOLS-id_330986229,MCULE-9545738810	338.324	UJAOMSPFWDLQHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090276
c1(C(=O)O)c2C(C)CCc2n(Cc2c(C)ccc(c2)C(F)(F)F)n1	EMOLS-id_330985973,MCULE-8405830299	338.324	XHGQVECYUOMGDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090277
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)cc(c2)C(F)(F)F)n1	EMOLS-id_330986485,MCULE-6399726882	338.324	CFWORZPVYIULQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090278
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(c1C)C(F)(F)F	MCULE-5404588662,EMOLS-id_330969777	338.324	KKGRBNLOQBZXCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090279
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(c1)C(F)(F)F)C	MCULE-9106635055,EMOLS-id_330969265	338.324	YNJOIKNXIRXTSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090280
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_330969521,MCULE-3000939066	338.324	RDSNBVCOOYEGHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090281
c1(C(=O)O)c2C(C)CCc2nn1Cc1c(C)ccc(c1)C(F)(F)F	EMOLS-id_330973104,MCULE-1857679147	338.324	UFHKLYTTZBWPIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090282
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1)C(F)(F)F	EMOLS-id_330969522,MCULE-7440743729	338.324	QEQQFJJJZZIQET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090283
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(c1)C(F)(F)F	EMOLS-id_330971316,MCULE-8303920837	338.324	YNABPLCRDCPRNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090284
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccccc1C(F)(F)F	MCULE-8953179127,EMOLS-id_330973109	338.324	XJFCXRXJDUEXDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090285
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2C(F)(F)F)n1	MCULE-4475077152,EMOLS-id_330992371	338.324	NJARHUPFYUWRRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090286
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(c2)C(F)(F)F)n1	MCULE-5634070592,EMOLS-id_330990324	338.324	PWRQMFDLWCTADH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090287
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)C(F)(F)F)n1	MCULE-8837093829,EMOLS-id_330990067	338.324	DBBHSOXJTKGNEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090288
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(c1)C(F)(F)F	EMOLS-id_330972095,MCULE-2918532188	338.324	NUVVEIYHSDPFEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090289
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)C(F)(F)F	MCULE-3242138351,EMOLS-id_330971838	338.324	KBCDBSZBVVODLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090290
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1C(F)(F)F	MCULE-7811366496,EMOLS-id_330970047	338.324	WVCQMERGCGETPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090291
O=C(N1CC(C(C1)(F)F)(F)F)NCCc1nc2n(c1)CCS2	EMOLS-id_101654800	338.324	KYRFELRYWSRBPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090292
Cc1cccnc1N(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_146142870,ZINC22_1875276050	338.328	HNHDOWRGOGDMIQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090293
Cc1cc(N(C)C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)ccn1	ZINC22_1875276067,PC-id_146142847	338.328	JEVYUICPMIBXQO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090294
C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1nnc2n1CCC2	PC-id_94024458,ZINC22_44934634	338.328	BWVRAWPNPHCIOE-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090295
C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1nnc2n1CCC2	ZINC22_44934631,PC-id_94024457	338.328	BWVRAWPNPHCIOE-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-090296
CN(c1cc(NC(=O)c2cnn3c2CCC3)cc(c1)C(F)(F)F)C	MCULE-7740136834,EMOLS-id_316943296,PC-id_136566753	338.328	PCTQDGJVEOLALB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090297
Fc1c(C[C@@H](N)CC(=O)N2Cc3c(nn(c3)C)C2)cc(F)c(F)c1	PC-id_56656059	338.328	BALBNWGSPZPRDG-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090298
Fc1c(CC(N)CC(=O)N2Cc3c(nn(c3)C)C2)cc(F)c(F)c1	PC-id_76388628	338.328	BALBNWGSPZPRDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090299
FC(F)(F)c1ccc(CC(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_45819139,MCULE-8947398515,EMOLS-id_31936200	338.328	BWVRAWPNPHCIOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090300
O=C(C(c1nccc(c1)C(F)(F)F)(C)C)NC1CCn2c1cnc2	EMOLS-id_319004278	338.328	HLDFSMVNGYZWEH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090301
O=C(C(c1nccc(c1)C(F)(F)F)(C)C)NC1CCn2c1ncc2	EMOLS-id_319697701	338.328	ZVDPHHVPATWBBM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090302
NC(=NCc1cccc(c1)C(F)(F)F)NCc1nnc2n1CCC2	PC-id_119140712	338.331	CIGLCPGQTWDQIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090303
Fc1ccc(cc1)C(=O)N1Cc2c(C1)nc(o2)COc1ccccc1	SCHEMBL159408,PC-id_66609297	338.332	NIXQZGQBDPLRCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090304
C1CC(OC1)C(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960126	338.334	IXWPIWJNLDRGOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090305
O=C(c1cnn2c1CCC2)Nc1ccc(nc1)Oc1ccccc1F	EMOLS-id_318849961	338.336	KDUSGVVHTPJIEB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-090306
c1ccc(c(c1)C1=CC(=CC2=c3ccsc3=NC2=O)NN1)[N+](=O)[O-]	PC-id_88101332	338.341	BDRRMBWZVLAPGI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-090307
c1ccc(c(c1)c1c(cn[nH]1)C=C1c2c(NC1=O)scc2)[N+](=O)[O-]	PC-id_90853871	338.341	YTLPCNLLEROERS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090308
c1ccc(c(c1)c1n[nH]c(c1)/C=C
/c2c(NC1=O)scc2)[N+](=O)[O-]	SCHEMBL7153942,PC-id_136461103	338.341	HVQYRLGOLJKBKQ-GHXNOFRVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090309
O=C1Nc2c(C1=Cc1[nH]nc(c1)c1ccccc1[N+](=O)[O-])ccs2	SCHEMBL7153948	338.341	HVQYRLGOLJKBKQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090310
s1c2CCCc2cc1C(=O)NN=Cc1ccc(cc1)C(F)(F)F	PC-id_85015489	338.347	OIQSBDVBKAMIGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090311
s1c2CCCc2cc1C(=O)NN=Cc1c(cccc1)C(F)(F)F	PC-id_85015506	338.347	VLUHHGHYKVYMLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090312
s1c2CCCc2cc1C(=O)NN=Cc1cc(ccc1)C(F)(F)F	PC-id_85015523	338.347	PNDNPMAEQSATLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090313
FC(CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_100203099	338.349	MKIIFJVBMKIGFV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090314
FC(F)Oc1cc(CNC(c2n3CCCc3nn2)C)ccc1OC	PC-id_53535222	338.352	IGEKFUAPRKXXGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090315
FC(F)Oc1cc(CN[C@H](c2n3CCCc3nn2)C)ccc1OC	PC-id_52640828	338.352	IGEKFUAPRKXXGP-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-090316
FC(F)Oc1cc(CN[C@@H](c2n3CCCc3nn2)C)ccc1OC	PC-id_52640830	338.352	IGEKFUAPRKXXGP-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090317
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)F)onc2CCCc12	Chemmine_45370,CoCoCo_5123856,ZINC22_8976458,PC-id_16942369,MCULE-6982204899,EMOLS-id_12336597	338.354	PLNHBWCEKCGYSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090318
COC(=O)[C@@H](NC(=O)c1ccc2n1C(=O)C(=C2)Cc1ccccc1)C	PC-id_101173896	338.357	FMYPNZRCURKSCU-LBPRGKRZSA-N	00000011100000110000000010000000000000000000000000000000	25-01-090319
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)Cc1cc(ccc1)F	PC-id_91008607	338.357	LCHNBHVGXFKIFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090320
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)Cc1ccc(cc1)F	PC-id_91151886	338.357	PTUWGGQOFZQVDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090321
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)Cc1ccccc1F	PC-id_91300604	338.357	IMQGHCKHOMRDRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090322
Fc1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCn2c1ncc2	EMOLS-id_320061800,MCULE-9287919982	338.357	HGSUJKPLUXJEMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090323
O=C(NC1CCn2c1ncc2)CNS(=O)(=O)c1cccc(c1)F	EMOLS-id_316918691	338.357	IIAOLDSXMWYRTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090324
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)Cc1ccc(cc1)F	SCHEMBL2915066,PC-id_68439462	338.357	VDGCWCGEDGWAAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090325
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)Cc1ccccc1F	SCHEMBL2920029,PC-id_68441154	338.357	XNTLLBPKISTKQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090326
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)Cc1cccc(c1)F	SCHEMBL2920926,PC-id_68441441	338.357	KKSKTROITXDGEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090327
c1csc2C(=O)CC(NS(=O)(=O)c3ccccc3N(=O)=O)c12	PC-id_4680217,EMOLS-id_27478652,MCULE-2699582198	338.359	ULRXYRMMOAEAHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090328
CC[C@H]1CC(CCN1CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C(=O)O	PC-id_69635156,SCHEMBL6010632	338.359	ZMMOCUDFMDBLKN-VTWZXRTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-090329
CC[N+]1(c2c(C(=N1)NC(=O)C1CC1)sc(c2)C(=O)OC)C(=O)O	PC-id_91116124	338.359	GBVABAHDTZKAOR-UHFFFAOYSA-O	00100011100000000001000010000000000000000000000000000000	25-01-090330
CCOC(=O)C1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL6010629,PC-id_69635154	338.359	LXPICBFMEONFQV-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090331
C[N+]1(c2c(C(=N1)NC(=O)C1CCC1)sc(c2)C(=O)OC)C(=O)O	PC-id_91287176	338.359	QIRDRUYIIFMPKU-UHFFFAOYSA-O	00001011100000000001000010000000000000000000000000000000	25-01-090332
COCC1OCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319649026	338.359	FVULFHDAPVMVFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090333
O1C(CN2C(CC(CC2)C(=O)O)CC)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635403	338.359	ZMMOCUDFMDBLKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090334
O1C(CN2CCC(CC2)C(=O)OCC)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_77712884	338.359	LXPICBFMEONFQV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090335
O=C1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccsc12	PC-id_1474712,ZINC22_1386543	338.359	ULRXYRMMOAEAHL-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090336
O=C1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccsc12	ZINC22_1386542,PC-id_1474711	338.359	ULRXYRMMOAEAHL-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-090337
c1(C(=O)Nc2onc(C)c2c2ccc(cc2)OC)c2CCCc2[nH]n1	MCULE-5088812750,EMOLS-id_331147570,ZINC22_1875250756	338.361	FFTKQMHYWQKDKX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090338
c1(C(=O)NCc2ccc(C)o2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316326193,MCULE-4043666499	338.361	LWNNHJCPPRXILF-INIZCTEOSA-N	00000010101000101001000010000000000000000000000000000000	25-01-090339
c1(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)n(C)nc2CCCc12	PC-id_45502064,CoCoCo_5273007,MCULE-2732032376,EMOLS-id_29279610,ZINC22_36704270	338.361	VGKBOCXNBDJFBF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090340
Cc1ccc(o1)CNC(=O)c1cc2n(n1)CC(C2)Oc1ccncc1	MCULE-6933229232	338.361	LWNNHJCPPRXILF-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-090341
Cc1ccc(o1)CNC(=O)c1oc2c(n1)CN(C2)Cc1cccnc1	PC-id_97442824	338.361	FFDAWHFFCFHUJT-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-090342
COc1ccccc1c1cc(C(=O)Nc2c3c(nn2C)CCC3)no1	PC-id_47833854,EMOLS-id_33313787,MCULE-5263523531,ZINC22_58356801	338.361	ZSTBTNMZPGBQMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090343
COc1cccc(c1)c1noc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318806136	338.361	ZZGZYTNONBELFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090344
COc1ccc(cc1)c1ocnc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_319057021	338.361	AJQHDVFJVVBGTO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090345
COc1ccc(cc1)c1ocnc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319027536	338.361	MMVYPZHHMUNFHM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090346
COc1ccccc1c1onc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318866124	338.361	CTVYDAHZCAKPCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090347
COc1ccc(cc1)NC(=O)c1c(NC(=O)C)c(c2n1CCC2)C#N	CoCoCo_5763408,NSC696777,PC-id_393850	338.361	AVXLEGQCALYCGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090348
COC(=O)C1N(Cc2c1cn(n2)C)C(=O)CCc1ccc(cc1)C#N	EMOLS-id_316293565,MCULE-1640801721	338.361	VASSOPQQIUIKPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090349
COC(=O)[C@@H]1c2cn(C)nc2CN1C(=O)CCc1ccc(C#N)cc1	ZINC22_1775993673	338.361	VASSOPQQIUIKPL-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090350
COC(=O)[C@H]1c2cn(C)nc2CN1C(=O)CCc1ccc(C#N)cc1	ZINC22_1775993674	338.361	VASSOPQQIUIKPL-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090351
o1nc(c2CCCc12)C(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C	PC-id_15994242	338.361	ZJVMYMNKACWSLU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090352
O=C1CCC(=O)N1c1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318826407	338.361	UERCBXSAPKGXAD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090353
O=C(c1ccc(o1)Cn1ccccc1=O)NCc1cnc2n1CCC2	EMOLS-id_319806601	338.361	RLDJBEJVLYQSNV-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-090354
O(CC(=O)Nc1n[nH]c2CCCc12)c1c(noc1C)c1ccccc1	PC-id_10290916	338.361	NDXGDGYZDNZCIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090355
O=C(Nc1n(nc2c1CCC2)C)c1ccc(N2C(=O)CCC2=O)cc1	PC-id_45536284	338.361	IJRUHNCGRRXFOZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090356
CCC(c1nn(c2c1CCC2)Cc1ccc(cc1)OC(F)(F)F)C	PC-id_138514740,SCHEMBL20866468	338.367	CVVZNZOXRAUXMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090376
OC(=O)N1CC2(C1)c1ccccc1N(C2=O)Cc1[nH]c2c(n1)CCC2	SCHEMBL18186698,PC-id_122653126	338.361	YQEFRASMPSOAGI-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-090357
CC(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCC(=O)OC	PC-id_134790077	338.362	VSXXPHFAHYWWAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090358
c1(C(=O)Nc2ccc(cc2)c2[nH]nc(COC)n2)c2CCCc2n[nH]1	EMOLS-id_49406026,ZINC22_95476612,MCULE-2984276142,PC-id_71705527,STOCK7S-44702,EMOLS-id_48570948	338.364	WXFGYCVSVPMTOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090359
c1(C(=O)Nc2cccc(c2)c2[nH]nc(COC)n2)c2CCCc2n[nH]1	ZINC22_95474476,PC-id_71703175,EMOLS-id_48569308,MCULE-9495989627,STOCK7S-43824,EMOLS-id_49403836	338.364	NRZRZHAWMUPCTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090360
c1(C(=O)Nc2n[nH]c(Cc3ccc(cc3)OC)n2)c2CCCc2n[nH]1	MCULE-2684680549,EMOLS-id_48567756,PC-id_71703924,EMOLS-id_49404539,STOCK7S-42985,ZINC22_95475140	338.364	LAYUSFOYPWTIDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090361
c1(C(=O)NCc2nnc3CCCn23)[nH]nc(c2cccc(OC)c2)c1	MCULE-9594696827,PC-id_70739450,EMOLS-id_44718854,ZINC22_91620611	338.364	OKHKMBRVQVRZOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090362
c1(C(=O)NCCn2cccn2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316323135,MCULE-7936428987	338.364	MWAHPLWZNNIDPC-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090363
c1(C(=O)NCCn2cccn2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-5035085841	338.364	MWAHPLWZNNIDPC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090364
Cc1nnc2n1CC[C@]2(C)C(=O)Nc1ccc(n2ccc(O)n2)cc1	ZINC22_2325799294	338.364	HDSJKWLKOKJWFW-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090365
Cc1nnc2n1CC[C@@]2(C)C(=O)Nc1ccc(n2ccc(O)n2)cc1	ZINC22_2325799295	338.364	HDSJKWLKOKJWFW-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090366
Cn1ncc(c1)C(=O)Nc1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_318968834	338.364	JWIOOZBKNTYOLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090367
Cn1ncc(c1)n1cc(ccc1=O)C(=O)NCc1cnc2n1CCC2	MCULE-8942799429,EMOLS-id_320057429	338.364	PFBZMIIBUXRCKK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-090368
COc1ccccc1n1cc(cn1)C(=O)NCc1nnc2CCCn12	PC-id_70733942,EMOLS-id_44715374,ZINC22_91574786,MCULE-4646488346	338.364	ZUVZYQRVRJGDEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090369
COc1ccc(cc1)n1nnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319059469	338.364	MEOUAIFCSZIFIO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090370
COc1cccc(c1)n1nnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320241867,MCULE-6136593945	338.364	WBKFEOOPJFAIKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090371
COc1cn(nc1C(=O)NCc1nnc2n1CCC2)c1ccccc1	CoCoCo_4560505,PC-id_40124247	338.364	GIRAALOOHZSLLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090372
O=C(NCc1n2CCCc2nn1)C1=NN(C(=O)CC1)c1ccccc1	PC-id_53519310	338.364	JWOKOAOSLQAGHY-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-090373
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1CO	EMOLS-id_330992060,MCULE-6024126083	338.367	DKEUFNVDKGXSOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090374
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1CO	EMOLS-id_330991804,MCULE-7433069799	338.367	WGVDUYMJENNDJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090375
O=C(c1ccccc1NC1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319754661	338.447	OXFPDCSYEYPKSP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090726
CN(Cc1nnc2n1CCC2)C(=O)Nc1cccnc1n1cccn1	EMOLS-id_31978776,ZINC22_58289746,MCULE-7214749492,PC-id_51082143	338.367	WKSAJFWJSSIERT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-090377
O=C(N1CCn2c1ncc2)Nc1ccccc1c1nnnn1C(C)C	EMOLS-id_319321836	338.367	RQGBYPOPCBHEGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090378
O=C(c1ccn(n1)C1CC1(F)F)NCCc1sc2c(n1)CCC2	EMOLS-id_318951273	338.376	UATHLMPDJOKAPC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-090379
O=C(Cn1nc(cc1C1CC1)C(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_319551605	338.376	JZFPXYQKNJUQNC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-090380
FCCC1CCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319546166	338.377	PGNCAPNWZQFADD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090381
c1(NC(=O)C(=O)N2CCOCC2)c(C(=O)OC)c2c(CCC2)s1	EMOLS-id_4739852,MCULE-6186231130,BindingDB_PC-id_8056810,TIMTEC536023,ZINC22_6719507,PC-id_8056810,CoCoCo_6533756,STOCK6S-10147,BindingDB-id_133504	338.379	WVTZCYLYFYHBOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090382
CC1(C)OC(C)(C)c2c1sc(NC(=O)COCC(=O)O)c2C#N	EMOLS-id_25561655,ZINC22_20436633,PC-id_17139384,SPECS-id_AN-153/I290210,MCULE-7638311218	338.379	HNBXSJRJVCEREO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090383
COC(=O)c1c(NC(=O)N2CCC(C2)C(=O)O)sc2c1CCC2	PC-id_122087695	338.379	GEXJLQRICAUIFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090384
Fc1ccc(cc1)c1ccc(n1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319262958	338.379	SKMLECGPEFRVKV-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-090385
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1OCCC1)C(=O)N	PC-id_84823521	338.379	OCCWVDKQKUPWRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090386
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1OCCC1)C(=O)N	PC-id_8729173	338.379	OCCWVDKQKUPWRD-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-090387
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1OCCC1)C(=O)N	PC-id_8729177	338.379	OCCWVDKQKUPWRD-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090388
c1(NC(=CC(=O)c2ccccc2)C(=O)O)sc2c(CCC2)c1C#N	MCULE-8079780254,PC-id_3986549	338.38	JLRPVPGGZVADJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090389
c1(N/C(=CC(=O)c2ccccc2)/C(=O)O)sc2c(CCC2)c1C#N	ZINC22_3618992,CHEMBL1316458,EMOLS-id_26819151,CoCoCo_1965549,MCULE-5690222821,TIMTEC241796	338.38	JLRPVPGGZVADJX-ZROIWOOFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090390
N#Cc1c(N/C(=C/C(=O)c2ccccc2)/C(=O)O)sc2c1CCC2	CoCoCo_1965550	338.38	JLRPVPGGZVADJX-NTEUORMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090391
N#Cc1c(/N=C(C(=O)O)/CC(=O)c2ccccc2)sc2c1CCC2	BindingDB_PC-id_91896472	338.38	YDSWBBRAMMINOB-ZHZULCJRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090392
OC(=O)C(=Nc1sc2CCCc2c1C#N)CC(=O)c1ccccc1	PC-id_91896472,BindingDB-id_75720	338.38	YDSWBBRAMMINOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090393
S1Cc2c(noc2NC(=O)c2ccc(Oc3ccccc3)cc2)C1	PC-id_49719103	338.38	XTQWRVGAECTMBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090394
S1Cc2c(noc2NC(=O)c2c(Oc3ccccc3)cccc2)C1	PC-id_49719012	338.38	BRPDONNKIAAYPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090395
O=C(C1CC(=O)N(C1)C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110420989	338.382	KBPCIZGGVDUOGI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-090396
O=C(c1coc(c1)S(=O)(=O)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_318933162	338.382	BPEQHLSBPLFTST-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-090397
Cc1ccc(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1	EMOLS-id_324866570	338.384	WJJWHWNGNAPAPR-ZROIWOOFSA-N	00000000110000110001000010000000000000000000000000000000	25-01-090398
Cc1c(c(=O)n(c(c1/C=N/c1c(c2c(s1)CCC2)C#N)O)C)C#N	PC-id_135851259	338.384	QNUKMBZCTBZNLX-DNTJNYDQSA-N	00000010100000101000000010000000000000000000000000000000	25-01-090399
Cc1oc(n2cccc2)c(C#N)c1C(=O)Nc1nc2c(s1)CCC2	EMOLS-id_48207983,MCULE-7090607332,PC-id_75413257,ZINC22_15637029	338.384	NQVYELFPBKDZEL-UHFFFAOYSA-N	00000010111000000001100010000000000000000000000000000000	25-01-090400
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCOc1ccccc1	MCULE-1210347737	338.384	MAXOXAHIZFWCTO-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-090401
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1ccc(cc1)C	MCULE-4408062193	338.384	WJJWHWNGNAPAPR-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-090402
O=c1n2nc(CCOc3ccccc3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324852465	338.384	MAXOXAHIZFWCTO-KAMYIIQDSA-N	00000000110000110001000010000000000000000000000000000000	25-01-090403
O=C(c1ccccc1)N1Cc2c(C1)[nH]nc2NC(=O)c1cccs1	SCHEMBL13382939,PC-id_11290697	338.384	VAXNVVVRYSKKKM-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090404
s1c2CCCc2c(c1N/C=C
/C(=C(C(=O)N(C1=O)C)C#N)C)C#N	PC-id_6311697	338.384	QWBXKUSFVNDEDH-JYRVWZFOSA-N	00000010100011000000000010000000000000000000000000000000	25-01-090405
s1c2CCCc2c(c1NC=C1C(=C(C(=O)N(C1=O)C)C#N)C)C#N	PC-id_6850035	338.384	QWBXKUSFVNDEDH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-090406
C1Cc2ncc(n2C1)S(=O)(=O)N1CCC(CC1)c1n[nH]c(=O)[nH]1	PC-id_137226204	338.385	PNBLHWKVSUQDOI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090407
C1CC(CN(C1)S(=O)(=O)c1cnc2n1CCC2)c1n[nH]c(=O)[nH]1	PC-id_137200604	338.385	FXHCNXJZHYFFES-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090408
CNS(=O)(=O)c1cc(C(=O)NCc2nnc3n2CCC3)n(C)c1	ZINC22_40489877,CoCoCo_4651282,MCULE-6268485297,EMOLS-id_31878280,PC-id_45806082	338.385	IXVDANIDLXSUGK-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-090409
O=C(c1ncn(n1)C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112053263	338.385	FNMXGXPIXJBAGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090410
O=C(c1nnn(c1)C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389735	338.385	YXGAIICLUUXIRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090411
O=C(N(C)C)Cn1ncc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100969030	338.385	KNMCYIWIPZKWFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090412
O=S(=O)(c1cnc2n1CCC2)N1CCC[C@@H](c2nc(O)n[nH]2)C1	ZINC22_328813413	338.385	FXHCNXJZHYFFES-SECBINFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090413
O=S(=O)(c1cnc2n1CCC2)N1CCC[C@H](c2nc(O)n[nH]2)C1	ZINC22_328813417	338.385	FXHCNXJZHYFFES-VIFPVBQESA-N	00000010100010000001100010000000000000000000000000000000	25-01-090414
c12SCCn1cc(CNC(=O)c1cnc(nc1)c1cccnc1)n2	PC-id_72845109,ZINC22_95355052,EMOLS-id_46603198,MCULE-9405357889	338.387	UWPUFWTXFKVNCW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-090415
O(C1C(c2c(oc(c2)CCCCC(=O)O)C1)CO)C1OCCCC1	PC-id_20272851	338.395	PPMWEFQYSQXARP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090416
OC[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)O	SCHEMBL11134931,PC-id_18598797	338.395	PPMWEFQYSQXARP-CMCURQENSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090417
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])(C)C)C(=O)OC	PC-id_27154232	338.399	MFVSQEJKEMXLOC-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-090418
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)OCC	PC-id_74533496	338.399	UYTVNZKDGVRHNK-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-090419
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OCCC	PC-id_40573719	338.399	DFXAVKMYRGNKHM-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-090420
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)OCC	PC-id_27518365	338.399	UYTVNZKDGVRHNK-SECBINFHSA-M	00000010100000000000000010000000000000000000000000000000	25-01-090421
s1c2c(CCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)OCC	PC-id_27518367	338.399	UYTVNZKDGVRHNK-VIFPVBQESA-M	00000010100000000000000010000000000000000000000000000000	25-01-090422
Cc1ccc(cc1)N1CCCC(C1=O)NC(=O)c1occ2c1CCC2	MCULE-4066787343,PC-id_138997431,EMOLS-id_320327671	338.4	PYYWBMNLEPXJGY-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-090423
Cc1ccc(N2CCC[C@H](NC(=O)c3occ4c3CCC4)C2=O)cc1	ZINC22_796703037	338.4	PYYWBMNLEPXJGY-KRWDZBQOSA-N	00000010100010110000100010000000000000000000000000000000	25-01-090424
Cc1ccc(N2CCC[C@@H](NC(=O)c3occ4c3CCC4)C2=O)cc1	ZINC22_796703038	338.4	PYYWBMNLEPXJGY-QGZVFWFLSA-N	00000010100010110000100010000000000000000000000000000000	25-01-090425
CNc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(C)cc(c1)F	PC-id_143531825	338.4	FKKQKLFFFYHIHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090426
CN(C)Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1F)C2	PC-id_97519176,ZINC22_96259086,EMOLS-id_44369722	338.4	GCCAVGWAZMEAAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090427
CN(C)Cc1nn(C)c2c1CN(S(=O)(=O)c1ccc(F)cc1)C2	PC-id_97519175,EMOLS-id_44369720,ZINC22_96259085	338.4	MWPNGRZEHSAWCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090428
COC(=O)/C=C(/C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328221311	338.4	IHFKUOLNUSDNBL-KAMYIIQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090429
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC[C@H]1C(=O)O	MCULE-9999650424,EMOLS-id_328335775	338.4	IDOGWRDXPPDLAO-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090430
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(=CC(=O)OC)C	MCULE-8153213687	338.4	IHFKUOLNUSDNBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090431
O=C1N(C(=O)c2c1c(n(c2C)CCCC)C)CC(=O)c1ccccc1	PC-id_10947742	338.4	BAYMVUYZJFIEDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090432
CC(C)(C)OC(=O)Cn1nc2CN(Cc2c1N)C(=O)OC(C)(C)C	MCULE-3242786509,EMOLS-id_259688150	338.402	SFNWTJREUTWHQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090433
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC	SCHEMBL19312086	338.402	RWXSIGJIYHDIJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090434
CCOC(=O)n1nc(N)c2CN(C(C(C)C)c12)C(=O)OC(C)(C)C	EMOLS-id_56972957,PC-id_118997163,MCULE-7745527836	338.402	MHULTZKUQUXVNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090435
s1c2c(CCC2)c(c1NC(=O)N1CCN(CC1)CCO)C(=O)[O-]	PC-id_29057705	338.402	SGZSFLMXHVOGKU-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-090436
S(=O)(=O)(CCC(=O)Nc1onc2c1CSC2)c1ccccc1	PC-id_45505367	338.402	MKTYFTPTQZFYQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090437
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)C(C)c1ccccc1	EMOLS-id_168604172,MCULE-8490323007	338.404	UYNWOZNNXWKGMV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090438
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)C2CCC2)n1	MCULE-3046383959	338.404	SDFOHCDRBRRIQQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-090439
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)C2(C)CC2)n1	EMOLS-id_316333876,MCULE-1305719888	338.404	AZCPUUDEIWIUNV-AWEZNQCLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090440
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)C2CCC2)n1	MCULE-9998787922,EMOLS-id_316330804	338.404	SDFOHCDRBRRIQQ-HNNXBMFYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-090441
c1(C(=O)NCc2ccccc2CN2CCCC2=O)c2CCCc2[nH]n1	PC-id_77085288,MCULE-7903375207,EMOLS-id_49878208,ZINC22_119649585	338.404	MBJZCWDDPUPXNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090442
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CC3CC3)Cc12	EMOLS-id_316321587,MCULE-1068985401	338.404	ZZVWFIDNPRZIDU-HNNXBMFYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090443
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CC3CC3)Cc12	MCULE-3083677862	338.404	ZZVWFIDNPRZIDU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090444
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C)C2)n(C)nc2CCCc12	EMOLS-id_43484337,PC-id_45536844,MCULE-9844183376	338.404	DWOLMRIEVMMXJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090445
CC1(c2c(CN1C(=O)Cc1ccccc1)cnn2NC(=O)C1CC1)C	PC-id_91231418	338.404	DFRWVVAFQIEMNP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090446
Cc1cccc(c1C(=O)N1CCCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318727830	338.404	OPIJOFOXWAJKMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090447
Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_101189803	338.404	ICUGSLXZZBTWES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090448
Cc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1	PC-id_93477866,ZINC22_38511283	338.404	DWOLMRIEVMMXJL-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090449
Cc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1	ZINC22_38511282,PC-id_93477865	338.404	DWOLMRIEVMMXJL-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090450
Cn1nc2c(c1NC(=O)Cc1cccc(N3CCCC3=O)c1)CCC2	MCULE-5414926841,EMOLS-id_316926506,ZINC22_278197750	338.404	FGSIXNIQPFKKOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090451
n1c(CNC(=O)C2CC(=NO2)CCc2ccccc2)c2c(CCC2)[nH]1	EMOLS-id_20562035,PC-id_45207688,MCULE-3367680281	338.404	DGVRNVKAAHLICI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-090452
O=C1CCC(CN1)(C(=O)NCc1cnc2n1CCC2)c1ccccc1	EMOLS-id_318767771	338.404	IZXGMNLUHLZUNZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090453
O=C1N(CCC1C(=O)N1CCn2c1ncc2)c1ccc(cc1)C(C)C	EMOLS-id_319441651	338.404	VIZXVUYLSWKSAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090454
O=C(C1CC1)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Cc1ccccc1	SCHEMBL2922918,PC-id_68442207	338.404	RVBCUSOMRNBNPT-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090455
O=C(c1ccc(cc1)CN1CCCC1=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319865859	338.404	MJPKGCJEVSWDLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090456
O=C(C1CCCN(C1=O)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319389429	338.404	OIAXIDHSEZRHOW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090457
Brc1sc(Br)c2c1C(/N=N/N)CC2=O	SCHEMBL14379459,PC-id_71156187	339.007	XNHDDKDVUKRQQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090853
O=C(c1cc(n(c1C)Cc1ccco1)C)NCc1cnc2n1CCC2	EMOLS-id_319478447	338.404	KIYRODZFDZMLIO-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-090458
O=C(c1cc(n(c1C)Cc1ccco1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319022714	338.404	WVCXDKVOBFGOST-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-090459
O=C(C1CCN(C1)C(=O)c1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-7690858527,EMOLS-id_320298890	338.404	UEWYSWMZGGZXQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090460
O=C(C1CCN(C1=O)Cc1ccccc1)NCc1cnc2n1CCC2	MCULE-3933261852,EMOLS-id_319868415	338.404	BBKZSFFOIXMTIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090461
O=C(C1CCN(C1=O)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318781393	338.404	NMOWDTGCWIMWLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090462
O=C(C1CC(=O)N(C1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318912034	338.404	WFBFVFWTIKLSBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090463
O=C(Cc1cccc(c1)N1CCCC1=O)NCc1cnc2n1CCC2	MCULE-8143218582,EMOLS-id_320282191	338.404	YCGANZWHLYRMOT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090464
O=C(Cc1cccc(c1)N1CCCC1=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320164580,MCULE-1714905562	338.404	LBMSSIKLMZCFHP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090465
O=C(Cc1ccccc1N1CCCC1=O)NCc1n[nH]c2c1CCC2	MCULE-4420773469,EMOLS-id_320203249	338.404	TYBJYHXKIGKSDP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090466
O=C([C@H]1CCCN1C(=O)c1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-8643781370,EMOLS-id_320313668	338.404	YJAJLAKJSSTHJQ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090467
O=C(N1Cc2c(C1)cnn2C)C1CC(=O)N(C1)C(c1ccccc1)C	EMOLS-id_318205356	338.404	MFQVXIKMSLWUEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090468
O=C(NC1CCCC1)c1ccc(NC(=O)c2cc3n(n2)CCC3)cc1	MCULE-9012141700,EMOLS-id_177267441,ZINC22_294607298	338.404	WUEPSNIGORBHGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090469
O=C(N(c1ccccc1C(=O)NCc1cnc2n1CCC2)C)C1CC1	MCULE-1720371676,EMOLS-id_319881131	338.404	PXNCJHJRVSQQNL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090470
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cn1cccc1	PC-id_92109491	338.404	GVOSYIZDJWPYFC-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-090471
O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CC(=NO1)CCc1ccccc1	CoCoCo_1361430,ZINC22_12246100,CoCoCo_1361428	338.404	DGVRNVKAAHLICI-SFHVURJKSA-N	00000011100000110001000010000000000000000000000000000000	25-01-090472
O=C(NCc1n[nH]c2c1CCC2)[C@H]1CC(=NO1)CCc1ccccc1	ZINC22_12246101,CoCoCo_1361427,CoCoCo_1361429	338.404	DGVRNVKAAHLICI-GOSISDBHSA-N	00000011100000110001000010000000000000000000000000000000	25-01-090473
c1(NC(=O)CSc2n[nH]cn2)sc2c(CCC2)c1C(=O)OC	MCULE-3046125053,SPECS-id_AO-476/42502668,EMOLS-id_24631153,CoCoCo_6962227,CoCoCo_6962225,PC-id_25020922,ZINC22_11340726,CoCoCo_6962226	338.405	MBVWZWOKKQEJMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090474
CS(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)C=Cc1cccs1	PC-id_87455789,SCHEMBL2922839,SCHEMBL2922842	338.405	CCRQAWFXIHLOHD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-090475
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)/C=Cc1cccs1	SCHEMBL2922836	338.405	CCRQAWFXIHLOHD-PLNGDYQASA-N	00000010100100000001000010000000000000000000000000000000	25-01-090476
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)/C=Cc1cscc1	SCHEMBL2918227	338.405	JJYCSXXKCVMULF-IHWYPQMZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-090477
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)C)C=Cc1cscc1	PC-id_68440558,SCHEMBL2918232	338.405	JJYCSXXKCVMULF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-090478
c1(CN2CCC(CC2)COc2ncccc2C#N)nnc2CCCn12	MCULE-4052768170,EMOLS-id_330443373,ZINC22_585529758	338.407	CSGJHTXDDDZBGN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-090479
c1(CN2CCCC(COc3cc(ccn3)C#N)C2)nnc2CCCn12	EMOLS-id_320320673,MCULE-7500755987	338.407	NLDBUIMLXVXVJO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-090480
Cn1ccc(n1)n1c(C)cc(c1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319841781,MCULE-4029190677	338.407	UEPURWLDQOOOKQ-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-090481
Cn1ccc(n1)n1c(C)cc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319703329	338.407	HOMNNCWMSGUOOP-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-090482
Cn1ncc(c1)n1c(C)cc(c1C)C(=O)NCc1cnc2n1CCC2	MCULE-2997863079,EMOLS-id_320221140	338.407	GKBPYZNEOXSPGT-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-090483
COc1cccc(c2n[nH]cc2CNCCc2nnc3n2CCC3)c1	MCULE-1378174669,EMOLS-id_35774481,PC-id_52910245,ZINC22_62639869	338.407	WFXAOGNTLDYZBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090484
N#Cc1ccnc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)c1	ZINC22_1776001332	338.407	NLDBUIMLXVXVJO-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-090485
N#Cc1ccnc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)c1	ZINC22_1776001333	338.407	NLDBUIMLXVXVJO-OAHLLOKOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-090486
CC(c1nnc2n1CCC2)NS(=O)(=O)c1cnc2n1ccs2	EMOLS-id_319301955	338.409	ACOCSSMAYPWZQT-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-090487
CCn1cc(nc1C)S(=O)(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_102154435	338.409	DKKGGEJEACTDOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090488
Cn1nnnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2938074,MCULE-2522470530,EMOLS-id_3235452,PC-id_3901773,ZINC22_6643492	338.409	RZUFNMYLTHDIQM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090489
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1cnn(c1)C(C)C	EMOLS-id_102154444	338.409	DLJJGTDQCLBWRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090490
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1ncn(c1)C(C)C	EMOLS-id_102154438	338.409	RVKFCTSXSUFYSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090491
NC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc2c1CCC2	PC-id_3464815,GD-id_ZINC06780703,CoCoCo_2914476,ZINC22_6780703,CoCoCo_2914477,EMOLS-id_43721612,MCULE-5153462802,CoCoCo_2914475	338.409	YEKRYCSRQNIKKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090492
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nncn1N	GD-id_ZINC18440174	338.409	MTLPUAKNRGEGBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090493
CCn1nc(c(c1C)c1ccnc(n1)NCc1nnc2n1CCC2)C	CoCoCo_1531927,PC-id_31134353	338.41	GYMBIUBRGMIQCO-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-090494
C[C@@H](NCc1ccc(OCC(F)F)cc1)c1nc2c(s1)CCC2	ZINC22_459652858	338.415	QYAYVVZVHITKPC-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090495
C[C@H](NCc1ccc(OCC(F)F)cc1)c1nc2c(s1)CCC2	ZINC22_459652859	338.415	QYAYVVZVHITKPC-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-090496
FC(COc1ccc(cc1)CNC(c1sc2c(n1)CCC2)C)F	EMOLS-id_316530794,MCULE-3186468421	338.415	QYAYVVZVHITKPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090497
OC(c1ccc(c(c1)F)F)C(NC(c1sc2c(n1)CCC2)C)C	PC-id_110017305	338.415	VQGMNQWMMHNXHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090498
S1(=O)(=O)C(c2c(C1Cc1ccccc1)coc2)Cc1ccccc1	PC-id_85626786	338.42	IFEDVQFQOCJOEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090499
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)NCCC(=O)O	PC-id_82033595,MCULE-7133774829	338.422	LELZENGGDZDUBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090500
c1(NC(=O)CCC)sc2c(CCC2)c1C(=O)NCCCC(=O)O	MCULE-7366666957,PC-id_82033592	338.422	BLZAYLAEFLDCMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090501
c1(NC(=O)CCN2CCOCC2)sc2c(CCC2)c1C(=O)OC	PC-id_730350,TIMTEC21771,EMOLS-id_3063173,ZINC22_19791872,SCHEMBL8288718,CoCoCo_3780060,MCULE-1674149409	338.422	CWECPCAIBYRBMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090502
c1(NC(=O)CN2CC(C)OC(C)C2)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130988,PC-id_84228687,MCULE-7831033163	338.422	YIZLEUSXTWYSPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090503
c1(NC(=O)CN2CCOCC2)sc2c(CCC2)c1C(=O)OCC	ZINC22_19758289,PC-id_722800,Chemmine_6801,CoCoCo_678825,MCULE-7084694550,EMOLS-id_2092515,SCHEMBL6834944	338.422	WGMDFHURHWSAFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090504
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333869,MCULE-5043350684	338.422	MTTNMRPIRQLWNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090505
CC(C)CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)N)CCC2	CoCoCo_2898486,PC-id_41135729,ZINC22_9586566	338.422	HWYZKJZJJMVHTJ-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090506
CC(C)CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)N)CCC2	PC-id_41135728,CoCoCo_2898485,ZINC22_9586565	338.422	HWYZKJZJJMVHTJ-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-090507
CC(C[C@@H](C(=O)O)NC(=O)CNC(=O)c1sc2c(c1)CCC2)C	PC-id_120695133,EMOLS-id_57905704,MCULE-1370453508	338.422	NFGXJWUJNPDLNW-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-090508
CC(CC(=O)Nc1sc2c(c1C(=O)OC(C(=O)N)C)CCC2)C	EMOLS-id_3701578,MCULE-4237810570,PC-id_16365349	338.422	HWYZKJZJJMVHTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090509
CCOC(=O)N1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956560	338.422	VDHWPIACPQGKLA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090510
COC(=O)c1c(NC(=O)CN2CCC(O)CC2)sc2c1CCC2	ZINC22_44867568,EMOLS-id_30182834,MCULE-5099158698,PC-id_45794342	338.422	VEKULWSVYVOYSN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090511
COC(=O)c1c(NC(=O)CN2CCOCC2C)sc2c1CCC2	PC-id_71942300,EMOLS-id_44494902,MCULE-8852684308	338.422	DSLHOTHGRIVEIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090512
COC(=O)c1c(NC(=O)CN2CCOC[C@@H]2C)sc2c1CCC2	ZINC22_26451084	338.422	DSLHOTHGRIVEIF-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-090513
COC(=O)c1c(NC(=O)CN2CCOC[C@H]2C)sc2c1CCC2	ZINC22_26451085	338.422	DSLHOTHGRIVEIF-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090514
O=C(C1(CCCO1)C(=O)Nc1sc2c(n1)CCC2)OC(C)(C)C	EMOLS-id_258031452,MCULE-2769202338	338.422	NMYPWHQQSCMCOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090515
OCC1CN(C(C1)CO)C(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318865770	338.422	GTFHSIGBSLDRIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090516
O=C(c1occ2c1CCC2)N1CCCC(C1)N1CCCS1(=O)=O	MCULE-1703219670,EMOLS-id_177277680	338.422	OTGRXAMKFIAAHT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090517
O=C(c1occ2c1CCC2)N1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC22_585082003	338.422	OTGRXAMKFIAAHT-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090518
O=C(c1occ2c1CCC2)N1CCC[C@H](N2CCCS2(=O)=O)C1	ZINC22_585082004	338.422	OTGRXAMKFIAAHT-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090519
O=C(Nc1sc2c(n1)CCC2)CCC1CCC(O1)C1OCCO1	EMOLS-id_257991162	338.422	YXWINWGVHNITAU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-090520
OC(=O)CN(CC1OCCN(C1)C(=O)c1sc2c(c1)CCC2)C	PC-id_120442117	338.422	XMQZEVIQVZJSIJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090521
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NCCC(C)C	PC-id_7623728	338.422	NUHAOQHUGJMOPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090522
s1c2c(CCC2)c(c1NC(=O)C(C)(C)C)C(=O)NCCC(=O)O	PC-id_82033599	338.422	HLYPLJIZUHUIJH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090523
s1c2c(CCC2)c(c1NC(=O)CC(C)C)C(=O)NCCC(=O)O	PC-id_82033603	338.422	QTUIHGDMBBVLGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090524
s1c2c(CCC2)c(c1NC(=O)CCCC)C(=O)NC(=O)OCC	PC-id_7521542	338.422	VKRCJNTWNUJMKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090525
s1c2c(CCC2)c(c1NC(=O)C(C)(C)C)C(=O)NC(=O)OCC	PC-id_7521543	338.422	WTMQRYYNIPSIIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090526
s1c2c(CCC2)c(c1NC(=O)CCC)C(=O)NC(CC)C(=O)O	PC-id_82033594	338.422	LTYNOMFJCYWRAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090527
s1c2c(CCC2)c(c1NC(=O)C(C)C)C(=O)NCCCC(=O)O	PC-id_82033596	338.422	UNRIZPBCMNFMJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090528
s1c2c(CCC2)c(c1NC(=O)C(C)C)C(=O)NC(CC)C(=O)O	PC-id_82033598	338.422	QFZHSXSPMNSRLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090529
s1c2c(CCC2)c(c1NC(=O)CC)C(=O)NC(C(C)C)C(=O)O	PC-id_82033587	338.422	ONACBLUWMMNIEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090530
s1c2c(CCC2)c(c1NC(=O)CC)C(=O)NC(CCC)C(=O)O	PC-id_82033590	338.422	SHMBPDDKPGWWPK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090531
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NCCCCCC(=O)O	PC-id_39186907	338.422	RLIPHYLITIYFRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090532
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(CC(C)C)C(=O)O	PC-id_82033582	338.422	COFYIJFETUUUAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090533
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(CCCC)C(=O)O	PC-id_82033583	338.422	YHLJUXWITKQBKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090534
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(C(CC)C)C(=O)O	PC-id_82033584	338.422	NKOKGECMJKZJAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090535
s1c2c(CCC2)c(c1NC(=O)CN1CC(OCC1)C)C(=O)OC	PC-id_51295715	338.422	DGZOSDKWIPHNGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090536
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(C)C)C(=O)N	PC-id_7848119	338.422	USIHIGNPFRCLGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090537
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC(C)(C)C)C(=O)N	PC-id_7950748	338.422	ABXZWFWYRMPNNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090538
c1(NC(=O)CCCC(=O)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-7777900334,PC-id_108807589,EMOLS-id_182637879	338.423	AOTOKYWRDVTSBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090539
c1(NC(=O)CCC(=O)c2ccc(C)cc2)sc2c(CCC2)c1C#N	PC-id_108807660,MCULE-1095589041,EMOLS-id_182638122	338.423	PSBDTZMNCADCEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090540
CC1(C)Cc2cc(C(=O)Nc3conc3c3ccccc3)sc2C1	ZINC22_1875408339	338.423	TYSMOLSPDUHPTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090541
Cc1ccc(C)c(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)CCC3)c1	PC-id_98305947,ZINC22_102389351	338.423	UOXBNLJRIHYCTP-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090542
Cc1ccc(C)c(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)CCC3)c1	PC-id_98305948,ZINC22_102389353	338.423	UOXBNLJRIHYCTP-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090543
Cc1nc(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)oc1C	MCULE-7538467159,ZINC22_65811280,EMOLS-id_44546852,PC-id_71886896	338.423	GNEOCCUYLACTJE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090544
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327849883	338.423	MICQQUOBAPBAOU-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090545
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(cc1)OCC	MCULE-2971261260	338.423	MICQQUOBAPBAOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090546
N#CC(C(=O)c1sc2c(c1)CCC2)C(=O)Nc1cc(C)ccc1C	EMOLS-id_44497708,PC-id_71940192,MCULE-8843931729	338.423	UOXBNLJRIHYCTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090547
CN(C(=O)C1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	PC-id_19759895,SCHEMBL9459007	338.424	SXULTRZKYOJOQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090548
CN(C(=O)[C@]1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	SCHEMBL9459010,PC-id_18652239	338.424	SXULTRZKYOJOQJ-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-090549
CN(C(=O)[C@@]1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	SCHEMBL9459317,PC-id_18652236	338.424	SXULTRZKYOJOQJ-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090550
O=C(N(C)C)NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@H](C2)C	SCHEMBL9459448,PC-id_18652240	338.424	UANMPUPQDPNGKP-LURJTMIESA-N	00000010100000000000000010000000000000000000000000000000	25-01-090551
S1(=O)(=O)C(Cc2c1sc(S(=O)(=O)NC(=O)N(C)C)c2)C	PC-id_19759909	338.424	UANMPUPQDPNGKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090552
c1(C(=O)N[C@H]2CN(C[C@@H]2C2CC2)S(=O)(=O)C)c2CCCc2[nH]n1	EMOLS-id_46073235,PC-id_72904142,ZINC22_91755590,MCULE-1177280725	338.425	FRIBOUZFBRAJEE-YPMHNXCESA-N	00100010100000000001100010000000000000000000000000000000	25-01-090553
c1(NC(=O)C(=O)NCCCN(C)C)sc2c(CCC2)c1C(=O)N	PC-id_8069798,MCULE-2166338131,ZINC22_6755554,STOCK6S-12216,EMOLS-id_4742915	338.425	HDJAXKBFLAHNQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090554
c1(NC(=O)NCCN2CCOCC2)sc2c(CCC2)c1C(=O)N	STOCK6S-08907,MCULE-3238515347,CoCoCo_6533765,EMOLS-id_4738022,ZINC22_20573439,PC-id_8034914	338.425	BHKRMGVXCAMJLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090555
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)CCO	CoCoCo_1093513,PC-id_27244586,EMOLS-id_15304032,ZINC22_16625494,MCULE-9876381736	338.425	CZPMGOGTJUSIPN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090556
CC1CC(CN(C1)C(=O)NCCc1nc2n(c1)CCS2)C(=O)O	MCULE-9539197011,PC-id_122123573,EMOLS-id_72943121	338.425	BWPKOMTYPIFYCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090557
CCC1SCCN(C1)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319182444	338.425	SQGGMAXPAHJHJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090558
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCc1cn2c(n1)SCC2	ZINC22_888093748,EMOLS-id_316903831,MCULE-7323356545	338.425	IYHZIOJAWROLSC-LLVKDONJSA-N	00001010100000000001000010000000000000000000000000000000	25-01-090559
CN(C)S(=O)(=O)N(Cc1ccco1)Cc1nn(C)c2CCCc12	MCULE-7025632129,EMOLS-id_50145278,PC-id_86266553	338.425	ROGQNJKFFFXRMF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-090560
COC(=O)c1c(NC(=O)N2CC(C)SC(C2)C)nc2n1CCC2	EMOLS-id_319678059	338.425	BQXBJUSJNWVMHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090561
COC(=O)c1c(NC(=O)N2CCSC(C2)(C)C)nc2n1CCC2	EMOLS-id_319070740	338.425	ZORUEGYCGQAJLE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090562
COC(=O)c1c(NC(=O)N2CCSC(CC2)C)nc2n1CCC2	EMOLS-id_319102037	338.425	UAWQEBAQRAPZAO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-090563
COC(=O)c1c(NC(=O)N2CCSCCC2C)nc2n1CCC2	EMOLS-id_319462058	338.425	ZAKFFUQKMSTFIL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-090564
COC(=O)c1c(NC(=O)N2CCSCC(C2)C)nc2n1CCC2	EMOLS-id_319588264	338.425	JDESAYOIPYSGIB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-090565
COC(=O)c1c(NC(=O)NCC2(C)CCCS2)nc2n1CCC2	EMOLS-id_319730915	338.425	ONWIVSHEWRDMGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090566
CSC1CCC(C1)NC(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319191689	338.425	RYEHVHWGPDJLJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090567
O=C(C1CC1)N1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101047198	338.425	XFGBGSVNNVWNJU-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-090568
O=C(C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_98853017	338.425	QBLCMINEBPTVOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090569
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)N1CCCS1(=O)=O	EMOLS-id_316028396,MCULE-9664256431	338.425	IMALNWNRYAUSCI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090570
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC22_369297830	338.425	IMALNWNRYAUSCI-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090571
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](N2CCCS2(=O)=O)C1	ZINC22_369297835	338.425	IMALNWNRYAUSCI-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-090572
O=C(CCC(=O)N1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99842387	338.425	GNXZDCCFMSUWCF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090573
O=C(N1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100184301	338.425	DIPZITZAIHHIHL-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-090574
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(=O)N1CCOCC1	EMOLS-id_102005724	338.425	CTJKIUKFBVMXKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090575
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N(C)C)C)C(=O)N	PC-id_8712205	338.425	LEKLJCPIAKKSRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090576
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCOCC1	PC-id_7685575	338.425	MJFXHALITWEMRT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090577
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)CC	PC-id_44053109	338.425	YEAADVPCHKZLGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090578
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1cccs1	PC-id_91183708	338.427	YSZHMBSBPHUHRT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090579
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1cscc1	PC-id_90983549	338.427	LCPOCGGFJNABFL-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090580
c1(CN(C)C(=O)c2cccc(c2)c2sccn2)c2CCCc2[nH]n1	ZINC22_299782822,PC-id_118775349,MCULE-1380105588,EMOLS-id_68900772	338.427	GRMOCWXTHRLYPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090581
c1(CNC(=O)c2csc(c3ccccc3)n2)c2CCCc2nn1C	MCULE-4451053780,PC-id_91819382,ZINC22_225817766,EMOLS-id_53884633	338.427	JXNSIAVWADHBTP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090582
c1(C(=O)NCc2cccc(c2)c2scc(C)n2)c2CCCc2n[nH]1	EMOLS-id_49407739,PC-id_71707342,MCULE-6081829788,EMOLS-id_44754804,STOCK7S-37294,ZINC22_95478176	338.427	MZNWYZUNGTVXDI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090583
c1(C(=O)N(C)Cc2csc(c3ccccc3)n2)c2CCCc2[nH]n1	MCULE-9109113089,PC-id_56884360,EMOLS-id_43066431,ZINC22_72419792	338.427	MXCAZJQEPBGXQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090584
c1(C(=O)NCCc2scc(c3ccccc3)n2)c2CCCc2n[nH]1	EMOLS-id_44753276,STOCK7S-36475,MCULE-4444389081,PC-id_71700811,EMOLS-id_49401589,ZINC22_95472383	338.427	YFJZAMLDOGZTEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090585
c1(NC(=O)c2ccc(c3ccccc3)n2C)n(C)nc2CSCc12	EMOLS-id_316201714,ZINC22_1529178898,MCULE-4270547967,PC-id_134710257	338.427	ULSZEWKIHCEDCO-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-090586
c1(sc2c(CCC2)n1)NC(=O)c1cccc(c1)n1c(C)cc(C)n1	EMOLS-id_43039907,MCULE-1918068618,EMOLS-id_46567193,ZINC22_72404970,STOCK7S-28948,PC-id_60180717	338.427	RGLVVSPAMWWFCU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090587
Cc1ccc(c2ccsc2C(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_31867774,PC-id_51074958,MCULE-7595800683,ZINC22_54536378	338.427	UNXNPKSTNPJVRP-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-090588
Cc1ccc(c2csc(NC(=O)c3cc4n(n3)CCC4)n2)c(C)c1	ZINC22_294542986,PC-id_146130280	338.427	ICZTYNXUPXNZSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090589
Cc1cc(C)n(c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)n1	CoCoCo_4164132,PC-id_26723153,ZINC22_15636551,MCULE-5586949478,EMOLS-id_24482003	338.427	HOMZYZJZINSRKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090590
Cc1nc(c2ccc(C(=O)NCc3cc4n(n3)CCC4)cc2)cs1	MCULE-5090566477,ZINC22_585141167,EMOLS-id_276243296	338.427	QSGCZTOJWZJXIR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090591
Cc1nccn1c1ccc(CNC(=O)c2cc3c(s2)CCC3)cn1	ZINC22_65727851	338.427	WSEBCZUSYFLZQU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-090592
Cc1nc(c(s1)c1ccccc1)C(=O)NCc1cnc2n1CCC2	MCULE-1440878229,EMOLS-id_319903377	338.427	IJQDQXBFAMDDSI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090593
Cc1nn(c2ccccc2)c(C)c1C(=O)Nc1nc2c(s1)CCC2	PC-id_56809268,EMOLS-id_36992042,ZINC22_71796177,MCULE-9990338937	338.427	UBKHXNGJACXJGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090594
Cc1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	EMOLS-id_328221817,MCULE-5722613921	338.427	YSYSSGYQBOVYMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090595
Cc1scc(n1)c1cccc(c1)CNC(=O)c1cn2c(n1)CCC2	EMOLS-id_319539757	338.427	ZZSUSTWXNCKRSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090596
Cc1scc(n1)c1cccc(c1)CNC(=O)c1cnn2c1CCC2	MCULE-9503641338,EMOLS-id_319880698	338.427	OZFCCHQTKXWLMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090597
Cc1scc(n1)c1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320160725,MCULE-3445014413	338.427	BBMDYEUQINKEGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090598
Cc1scc(n1)c1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319368360	338.427	YQPNYXKDNNOWKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090599
Cc1scc(n1)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319487593	338.427	URECAFZHDAMPOW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090600
CC(c1ccccc1)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccs1	PC-id_68441066,SCHEMBL2919800	338.427	SBYYFODDZBTANM-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090601
CC(c1ccccc1)N1Cc2c(C1)c([nH]n2)NC(=O)c1cscc1	SCHEMBL2916707,PC-id_68440033	338.427	YNUKBSKFUUMERG-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090602
CC(c1ccc(cc1)n1ncnc1)NC(=O)c1sc2c(c1)CCC2	PC-id_16362852,EMOLS-id_11809602,MCULE-1417355779	338.427	YDJXVIYFWGMHMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090603
C[C@@H]1C[C@H](NC(=O)Cc2csc(c3ccccc3)n2)c2nccn12	ZINC22_456358761	338.427	CLRXGSRFRICHDM-DOMZBBRYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090604
C[C@@H]1C[C@@H](NC(=O)Cc2csc(c3ccccc3)n2)c2nccn12	ZINC22_456358775	338.427	CLRXGSRFRICHDM-IUODEOHRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090605
C[C@H]1C[C@@H](NC(=O)Cc2csc(c3ccccc3)n2)c2nccn12	ZINC22_456358779	338.427	CLRXGSRFRICHDM-SWLSCSKDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090606
C[C@H]1C[C@H](NC(=O)Cc2csc(c3ccccc3)n2)c2nccn12	ZINC22_456358780	338.427	CLRXGSRFRICHDM-WFASDCNBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090607
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(n2cncn2)cc1	PC-id_41130413,ZINC22_9576768,CoCoCo_3948003	338.427	YDJXVIYFWGMHMM-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090608
C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(n2cncn2)cc1	ZINC22_9576766,CoCoCo_3948002,PC-id_41130411	338.427	YDJXVIYFWGMHMM-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090609
Cn1c(ccc1c1ccccc1)C(=O)NCc1cn2CCSc2n1	EMOLS-id_49872486,ZINC22_215235284,MCULE-5827139415,PC-id_77082025	338.427	ZTKGSQNAGGQDBT-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-090610
Cn1nc2c(c1NC(=O)Cc1csc(c3ccccc3)n1)CCC2	EMOLS-id_33313567,MCULE-3409270687,ZINC22_58357582,PC-id_47777690	338.427	WBFXACDFGJNYDG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090611
n1c(csc1c1ccccc1)CC(=O)NCc1c2CCCc2[nH]n1	MCULE-5439633393,ZINC22_827857654,EMOLS-id_232901838	338.427	PYQHPBVSKQUSSY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090612
N#Cc1ccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)nc1	PC-id_56818031,EMOLS-id_36928047,MCULE-5176704120,ZINC22_71821389	338.427	MIGWQVQCSQBRBB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-090613
N#Cc1cccnc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1	MCULE-7957893102,EMOLS-id_36625191,ZINC22_70013142,PC-id_53536087	338.427	STDVNEYFKYXHGH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-090614
N#Cc1ccnc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1	PC-id_31843295,ZINC22_24470783,EMOLS-id_31888212,MCULE-1141635069	338.427	FITGEAQJVHCGEP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-090615
O=C(c1cc2n(n1)CCC2)N(Cc1ccncc1)Cc1cccs1	ZINC22_889487578,MCULE-8370100136,EMOLS-id_316973774	338.427	SHAKGOKXOAFKJB-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-090616
O=C(c1ccc(nc1C)c1cccs1)NCc1cnc2n1CCC2	EMOLS-id_319960676,MCULE-1989058152	338.427	DABPGSVGNTYYEH-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-090617
O=C(c1ccc(nc1C)c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_319696206	338.427	RHVZOYNIONIGIY-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-090618
O=C(c1cccs1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68441067,SCHEMBL2919801	338.427	PKXHBYDMGHXLSZ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090619
O=C(c1cn2c(n1)CCC2)N(Cc1ccncc1)Cc1cccs1	EMOLS-id_316974286,ZINC22_889486623,MCULE-8258625893	338.427	CWCVCDNVXKOZEP-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-090620
O=C(c1cnc(s1)Cc1ccccc1)NCc1cnc2n1CCC2	MCULE-7071883042,EMOLS-id_319967014	338.427	LVFBCHRPSCHZJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090621
O=C(c1cnc(s1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	MCULE-4771115815,EMOLS-id_319956521	338.427	AIGBVXIRUARRKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090622
O=C(c1cnn2c1CCC2)N(Cc1ccncc1)Cc1cccs1	MCULE-4324234495,EMOLS-id_316974030,ZINC22_889487607	338.427	TYEIIAFYBAMKTB-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-090623
O=C(c1cscc1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2916709,PC-id_68440034	338.427	SLHHVBNDZNSVGR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090624
O=C(c1csc(n1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319456800	338.427	IHUACJOAENGUJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090625
O=C(c1csc(n1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319928059,MCULE-2643196465	338.427	CSRRKPMFESHDBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090626
O=C(c1sc2c(c1)CCC2)Nc1ccn(n1)CCc1ccccn1	EMOLS-id_36300802,MCULE-7534461310,PC-id_53554368	338.427	KLSQGTCDHHAHTJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090627
O=C(c1sc2c(c1)CCC2)NCc1nnc(n1C)c1ccccc1	EMOLS-id_318879562	338.427	STDXGEKAKNUIPI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090628
O=C(c1sc(nc1C)c1ccccc1)NCc1cnc2n1CCC2	MCULE-7456045303,EMOLS-id_320005053	338.427	PQKAGLQNGOLHOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090629
O=C(Cc1csc(n1)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318872029	338.427	UEBPGEWQZVEXFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090630
O=C(Cc1scc(n1)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319578748	338.427	IYOLBDZPNXXFRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090631
O=C(Cc1scnc1c1ccccc1)NCc1cnc2n1CCC2	MCULE-7445074704,EMOLS-id_320158017	338.427	HAYBXHKKDVMATK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090632
O=C(CCc1cnn(c2ccccc2)c1)Nc1nc2c(s1)CCC2	EMOLS-id_43986460,CoCoCo_4256550,PC-id_33040592,ZINC22_25768896,MCULE-7519145640	338.427	RPKMQBNYHMXPAD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090633
O=C(NC1CC(n2c1ncc2)C)Cc1csc(n1)c1ccccc1	MCULE-3096261700,EMOLS-id_177281702	338.427	CLRXGSRFRICHDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090634
O=C(Nc1ccn(CCc2ccncc2)n1)c1cc2c(s1)CCC2	EMOLS-id_48993837,ZINC22_79333620,PC-id_72025634,MCULE-1311846934	338.427	WWAFWOLLDSCLAL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090635
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)Cc1cccs1	PC-id_68441578,SCHEMBL2921419	338.427	SSORDGIRCQQJPC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090636
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)Cc1cscc1	PC-id_68439854,SCHEMBL2916141	338.427	PJMCUCFINBLLBK-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090637
O=C(NCCc1csc(c2ccccc2)n1)c1n[nH]c2c1CCC2	PC-id_146124094,ZINC22_84840106	338.427	KSDMMIKGQMYSCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090638
O=C(NCCc1nc2c(s1)CCC2)c1ccc(c2cn[nH]c2)cc1	MCULE-7634748611,ZINC22_1263943654,EMOLS-id_320342912	338.427	YSISFKVXYFNCPJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090639
s1c2CCCc2cc1C(=O)NCc1ccc(Cn2ncnc2)cc1	PC-id_51306248	338.427	DDFWJFXRKNISSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090640
s1c2CCCc2nc1NC(=O)c1c(n(nc1)c1cc(ccc1)C)C	PC-id_33041157	338.427	NEZJRRHSIFEXNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090641
CC(c1nc(cn1Cc1nnc2n1CCC2)S(=O)(=O)N(C)C)C	EMOLS-id_318849578	338.428	NSSVXCBRYVNRQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090642
CCN(S(=O)(=O)c1c(C)nn(c1C)Cc1nnc2n1CCC2)C	EMOLS-id_318832549	338.428	BLOAAKQPOPHYSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090643
c1ccc(CSc2cncc(NCc3nnc4n3CCC4)n2)cc1	ZINC22_95436022,EMOLS-id_49119630,MCULE-9436601164,PC-id_84590125	338.43	LRSWUTCGYRHRTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090644
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C1CCC1	EMOLS-id_330977207,MCULE-5154589634	338.443	AKRCPSCHLGUBOQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-090645
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C1CC1	EMOLS-id_330979517,MCULE-5738896131	338.443	WCIADOXHRADDJM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-090646
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccccc1C1CC1	MCULE-6342970706,EMOLS-id_330983857	338.443	FQCOWVBQGBYEQA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-090647
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(c1)C1CC1	MCULE-8928571422,EMOLS-id_330981808	338.443	GJMSVRVCTXDIED-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-090648
CC1CN(CC(C)O1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5327124753,EMOLS-id_328337049	338.443	AWSVJTRFJOMVSH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090649
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC(CC1)CO	EMOLS-id_328336539,MCULE-2182915094	338.443	XWPYMYPCBQKGQN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-090650
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCCC(O)C1	EMOLS-id_328213882,MCULE-4043462442	338.443	JWVGKKPSAXTOSA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-090651
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N[C@H]1CC[C@@H](CC1)O	EMOLS-id_328213106,MCULE-6012037220	338.443	BFSLNHLDCHQGLX-IYARVYRRSA-N	00000010100010110000000010000000000000000000000000000000	25-01-090652
c1(NC(=O)CS(=O)C2CCOCC2)sc2c(CCC2)c1C#N	MCULE-5362447163,EMOLS-id_320676718	338.445	RPPNEUYCMJZKQQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090653
CC(C)Oc1ccc(cc1)S(=O)(=O)Nc1nc2CCCc2s1	EMOLS-id_181478354,MCULE-1791995907,PC-id_84563771	338.445	QCZYZNVFVUHOSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090654
COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc2CCCc2s1	PC-id_84564222,EMOLS-id_181478549,MCULE-8685866028	338.445	NEOZUENVYUMDOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090655
O=C(CC1CCS(=O)(=O)CC1)Nc1sc2CCCc2c1C#N	MCULE-1909746487,EMOLS-id_328186014	338.445	SBHZTECPZSUITN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090656
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)OC	PC-id_51589994	338.445	FTYXZTFQDPRFRM-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-090657
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@@H](C1)C)C)C(=O)N	PC-id_6923992	338.445	RACLNFSSOZJNHU-AOOOYVTPSA-O	00000010100010000001000010000000000000000000000000000000	25-01-090658
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@@H](C1)C)C)C(=O)N	PC-id_6923993	338.445	RACLNFSSOZJNHU-NXEZZACHSA-O	00000010100010000001000010000000000000000000000000000000	25-01-090659
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@H](C1)C)C)C(=O)N	PC-id_6923994	338.445	RACLNFSSOZJNHU-UWVGGRQHSA-O	00000010100010000001000010000000000000000000000000000000	25-01-090660
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(OC(C1)C)C)C(=O)N	PC-id_3300117	338.445	RACLNFSSOZJNHU-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-090661
s1c2c(CCC2)c(c1NC(=O)N1CC[NH+](CC1)C)C(=O)OCC	PC-id_8030845	338.445	GPHILACXNMTZEE-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-090662
s1c2c(CCC2)c(c1NC(=S)NC(=O)C1CCC1)C(=O)OC	PC-id_49960881	338.445	HIMXFDCBTYLURN-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-090663
c12CN(Cc1nn(CC1CCC1)c2C(=O)NCC)Cc1ccccc1	EMOLS-id_324354147,MCULE-6145232345	338.447	NABBYUYAFRFERO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-090664
c12CN(Cc1nn(CC(C)C)c2C(=O)NC1CC1)Cc1ccccc1	MCULE-5130552091,EMOLS-id_324357222	338.447	SLSCFWVTENWBBZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090665
c1(CN(C2CCCC2)C(=O)Nc2ccccc2)c2CCCc2n(C)n1	MCULE-2313022749,PC-id_86266597,EMOLS-id_50145360	338.447	USBYSPWDMLCKRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090666
c1(CN(C)C(=O)CN2CCC(c3ccccc3)C2)c2CCCc2[nH]n1	PC-id_91786408,EMOLS-id_55678267,MCULE-7176527313	338.447	INVKPZQCRNHGCD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090667
c1(C(=O)N2CCN(CC2)c2cccc(C)c2C)c2CCCc2n(C)n1	EMOLS-id_179745181,PC-id_110389039,MCULE-3888698988	338.447	DHZUJJFUGCJBTF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090668
c1(C(=O)Nc2ccc(cc2)N2CCC(CC2)C)c2CCCc2n(C)n1	EMOLS-id_179745427,MCULE-1944968991,PC-id_110389121	338.447	JWYHBKYNUJJDGT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090669
c1(C(=O)NC2CCN(Cc3ccccc3)CC2)c2CCCc2n(C)n1	EMOLS-id_320481037,PC-id_84467428,MCULE-8460242742	338.447	LHQDJACJBYSPLH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090670
c1(C(=O)NCCN2CCC(c3ccccc3C)C2)c2CCCc2[nH]n1	PC-id_91836777,MCULE-3716590190,EMOLS-id_55660105	338.447	KAARMWJPOIBHJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090671
c1(C(=O)NN=C(C)c2ccc(cc2)CCCCC)c2CCCc2[nH]n1	PC-id_2857462,MCULE-5093802565	338.447	KTFZEXPRTZOGTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090672
Cc1ccc(cc1)C1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579175	338.447	UNUCAWFQBHVMHR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090673
Cc1ccc(c(c1)C1CCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101418702	338.447	INKMCJXQEMCLIZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090674
Cc1ccc(cc1)C1CC(N(C1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101421696	338.447	GKYAGQOVTUUPGU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090675
Cc1ccccc1C1(C(=O)NCc2nnc3n2CCC3)CCCCC1	EMOLS-id_36294669,PC-id_53567733,ZINC22_69457570,MCULE-1621710093	338.447	BEEHKRIVDHNUBI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090676
Cc1ccc(c(c1)C)C1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421714	338.447	MKMBRPYSDBRKKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090677
Cc1ccccc1[C@H]1CCN(CCNC(=O)c2n[nH]c3c2CCC3)C1	ZINC22_244701090	338.447	KAARMWJPOIBHJG-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090678
Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2n[nH]c3c2CCC3)C1	ZINC22_244701091	338.447	KAARMWJPOIBHJG-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090679
Cc1cccc(c1)C(=O)N1Cc2c(C1)n(nc2CN1CCCCC1)C	PC-id_97405338	338.447	OSNLPHZOGIXNNH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090680
Cc1ccc(cc1)C(=O)N1CCC(CC1)NC1CC(n2c1ncc2)C	MCULE-3503596457,EMOLS-id_318158047	338.447	AVTCXZAZQTYFNN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090681
Cc1ccc(cc1)C(=O)N1CCC(CC1)NCc1cnc2n1CCC2	EMOLS-id_318153466,MCULE-1459342684	338.447	JJKWINWSLKTPJR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090682
Cc1ccc(cc1C(=O)N1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_318386696,MCULE-3555711785	338.447	MRMBQUKZDAFDCF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090683
Cc1cccc(C2(C(=O)NCCc3nnc4n3CCC4)CCCC2)c1	MCULE-5231376636,PC-id_53579754,EMOLS-id_36315816,ZINC22_69561686	338.447	AALSVBZEPKZEQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090684
Cc1ccc(/C=C/CC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)cc1	ZINC22_84761234	338.447	LEUGSIHJGBQANO-FHHGHWCOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090685
Cc1ccc(/C=C/CC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)cc1	ZINC22_84761237	338.447	LEUGSIHJGBQANO-OQBYNLHGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090686
CC1CCCCN1Cc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98089936	338.447	HWYYRXDYVOWUBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090687
CC1CCCCN1C(=O)c1ccc(cc1)NCc1cnc2n1CCC2	EMOLS-id_318305556,MCULE-3393292920	338.447	WANIKBMGOFXUMG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090688
CC1CC(CN1C(=O)NC1CC(n2c1ncc2)C)c1ccccc1C	EMOLS-id_101417019	338.447	WTSJYPFCEJJNQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090689
CC1CC(C(N1C(=O)NC1CC(n2c1ncc2)C)C)c1ccccc1	EMOLS-id_101572878	338.447	GOVQXCNVVCDAOP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090690
CC1CCCN(C1)Cc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98068689	338.447	SUCSIRZHJOVUSC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090691
CC1CCC(N(C1)C(=O)NC1CC(n2c1ncc2)C)c1ccccc1	EMOLS-id_101574780	338.447	WSKFCQQSYSYQTR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090692
CC1CCN(CC1)Cc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98085904	338.447	BAPAQTJHOBGAGK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090693
CC1CCN(CC1)C(=O)c1ccc(cc1)NCc1cnc2n1CCC2	MCULE-7295984342,EMOLS-id_318265949	338.447	FLAPQOQUAKFWMY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090694
CC1CCN(CCN1Cc1ccccc1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_45656245,PC-id_71926198,MCULE-1569070372	338.447	XYHIEHRJMYFWBU-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-090695
CC1CN(CC1CNC(=O)c1cn2c(n1)CCC2)Cc1ccccc1	EMOLS-id_316620906	338.447	VSLYPLDHMNQHFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090696
CC1CN(CCCN1C(=O)c1n[nH]c2c1CCC2)Cc1ccccc1	PC-id_71874428,MCULE-7940394584,EMOLS-id_45761371	338.447	XHADWKZOLTUPBT-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-090697
CC(c1cc2n(n1)CCC2)Nc1cccc(c1)C(=O)N1CCCCC1	EMOLS-id_318179377,MCULE-7695442715	338.447	OCBIJDYPMHYBBN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090698
CC(c1nn2c(c1)CCC2)Nc1cccc(c1C)C(=O)N1CCCC1	MCULE-4189453961,EMOLS-id_318240602	338.447	TXLUJFYYHMNSPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090699
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCc2nnc3n2CCC3)cc1	PC-id_96327811,ZINC22_76959969	338.447	ZXSFJQSMFMBDPZ-IRXDYDNUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-090700
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCc2nnc3n2CCC3)cc1	PC-id_96327813,ZINC22_76959971	338.447	ZXSFJQSMFMBDPZ-DLBZAZTESA-N	00100010100000110001100010000000000000000000000000000000	25-01-090701
CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCc2nnc3n2CCC3)cc1	PC-id_96327814,ZINC22_76959972	338.447	ZXSFJQSMFMBDPZ-IAGOWNOFSA-N	00100010100000110001100010000000000000000000000000000000	25-01-090702
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCc2nnc3n2CCC3)cc1	ZINC22_76959970,PC-id_96327812	338.447	ZXSFJQSMFMBDPZ-SJORKVTESA-N	00100010100000110001100010000000000000000000000000000000	25-01-090703
CCCCCc1ccc(cc1)/C(=NNC(=O)c1[nH]nc2c1CCC2)/C	PC-id_5724333,CoCoCo_57350,CoCoCo_57348	338.447	KTFZEXPRTZOGTK-STZFKDTASA-N	00000010100000110001000010000000000000000000000000000000	25-01-090704
CCCCCc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c2c1CCC2)/C	EMOLS-id_25786305,BAS-00389970,CoCoCo_57347,PC-id_9566849,CoCoCo_57349	338.447	KTFZEXPRTZOGTK-KGENOOAVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090705
C[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)CCN1Cc1ccccc1	ZINC22_89930005,PC-id_97092570	338.447	XYHIEHRJMYFWBU-OAHLLOKOSA-N	00000010100000110101000010000000000000000000000000000000	25-01-090706
C[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)CCN1Cc1ccccc1	ZINC22_89930006,PC-id_97092571	338.447	XYHIEHRJMYFWBU-HNNXBMFYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-090707
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_97093622,ZINC22_89937679	338.447	XHADWKZOLTUPBT-OAHLLOKOSA-N	00000010100000110101000010000000000000000000000000000000	25-01-090708
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_89937681,PC-id_97093623	338.447	XHADWKZOLTUPBT-HNNXBMFYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-090709
CN1CCC(CC1)(CNC(=O)c1cn2c(n1)CCC2)c1ccccc1	MCULE-6127608335,EMOLS-id_320054733	338.447	JDSXOXHBFBIBFH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090710
CN1CCC(CC1)(CNC(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_316646296	338.447	VHMUCPDXBDFDKG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090711
CN1CCC(CC1)(CNC(=O)c1cnn2c1CCC2)c1ccccc1	EMOLS-id_320111440,MCULE-3831045975	338.447	LBQMUWFERUTOQU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090712
CN1CCC(CC1)(CNC(=O)c1n[nH]c2c1CCC2)c1ccccc1	EMOLS-id_319332336	338.447	XHSZSPWMHUPQRS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090713
CN1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_79019215,EMOLS-id_43664456,MCULE-7797712979,PC-id_71862023	338.447	WIHJWNLRFSSQEQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090714
CN(C1(CCC1)CNC(=O)c1nn2c(c1)CCC2)Cc1ccccc1	EMOLS-id_318271814	338.447	GBSYDYIBVUSAEH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-090715
CN(c1ccc(C(=O)N=c2cc3n([nH]2)CCC3)cc1)C1CCCCC1	ZINC22_2325786838	338.447	IJDBSQPICWCPKK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090716
CN(Cc1n[nH]c2c1CCC2)C(=O)CN1CC[C@@H](c2ccccc2)C1	ZINC22_222756470,PC-id_100139578	338.447	INVKPZQCRNHGCD-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090717
CN(Cc1n[nH]c2c1CCC2)C(=O)CN1CC[C@H](c2ccccc2)C1	ZINC22_230489510	338.447	INVKPZQCRNHGCD-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090718
n1c(CNC(=O)C2CCCCN2Cc2ccccc2)c2c(CCC2)[nH]1	PC-id_91832919,MCULE-6352497609,EMOLS-id_55633512	338.447	AQADOUZAOCNQMY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090719
O=C1N(CCC2CCN(CC2)Cc2ccccc2)Cc2n1c(C)nc2	SCHEMBL3448689,PC-id_23138268	338.447	AIIVCZDFHXAKTN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090720
O=C(C1CC1c1ccc(cc1)C(C)C)NCCc1nnc2n1CCC2	PC-id_72003829,MCULE-6194291307,EMOLS-id_49040252	338.447	ZXSFJQSMFMBDPZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-090721
O=C(c1ccc(cc1)CN1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_318786210	338.447	VJVZHZMLUAAKNY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090722
O=C(c1cccc(c1)CN1CCCCC1)NCc1cnc2n1CCC2	MCULE-1022221857,EMOLS-id_319843832	338.447	QLQSXJYWTAXDCW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090723
O=C(c1ccc(cc1)CN1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318944424	338.447	UKJYSUUYBWXNFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090724
O=C(c1ccc(cc1)CNC1CC(n2c1ncc2)C)N1CCCCC1	MCULE-6816769991,EMOLS-id_317989671	338.447	YJUMUTHFQDQYQH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090725
O=C(c1ccc(cc1)NCc1cnc2n1CCC2)N1CCCCCC1	EMOLS-id_318137248,MCULE-4969087929	338.447	CPJAQGVUIONNFE-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-090727
O=C(C1CCCCN1Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319226587	338.447	KYOSEDZESBWKQJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090728
O=C(C1CCCN(C1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319298964	338.447	YMLLRBHYRQLTCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090729
O=C(C1CCCN(C1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319919327,MCULE-4709282381	338.447	HXSLBPUKTJCWMQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090730
O=C(C1CCN(CC1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319381709	338.447	AZRUFSQEOWWJSQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090731
O=C(C1NCc2c1c[nH]n2)NCC1(CCCCC1)c1cccc(c1)C	MCULE-2814807762,EMOLS-id_319921867	338.447	YHPLPEGAKRCKSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090732
O=C(C1NCc2c1c[nH]n2)NCCc1ccc(cc1)C1CCCCC1	EMOLS-id_319300888	338.447	KPYLNLIUVVRYTE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090733
O=C(N1CCCC1c1cccc(c1C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101417025	338.447	HFROJDPXXBDLPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090734
O=C(N1CC(CC1c1ccccc1)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_102198766	338.447	XCPIBJLHSIGOGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090735
O=C(N1CCC(C1(C)C)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_102182937	338.447	HEOJTIWAAHGKIN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090736
O=C(N1CCC(CC1)c1ccccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101415606	338.447	BCICSEMZJBEKIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090737
O=C(N1CCCC(C1)(C)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101415684	338.447	KWXQCGJFDWLFDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090738
O=C(N1CCC(CC1)(C)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101418780	338.447	JLNBPUSETVHTLM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-090739
O=C(N1CCC(CC1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319865267,MCULE-9887627460	338.447	HMWHVULEWIMUFB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090740
O=C(N1CCCCCC1c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101581023	338.447	NOIVJEMOXGJBNC-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-090741
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1cccnc1	PC-id_92109929	338.447	CUIAQEZNHKMEGI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090742
O=C(NC(c1n2CCCc2nn1)C(C)C)CC=Cc1ccc(cc1)C	MCULE-8808172760,EMOLS-id_300786486,PC-id_71858742	338.447	LEUGSIHJGBQANO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090743
O=C(NC(c1n2CCCc2nn1)C(C)C)C/C=C/c1ccc(cc1)C	PC-id_75464324	338.447	LEUGSIHJGBQANO-GQCTYLIASA-N	00000010100000110001000010000000000000000000000000000000	25-01-090744
O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCCCN1Cc1ccccc1	ZINC22_243893339	338.447	AQADOUZAOCNQMY-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-090745
O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCCCN1Cc1ccccc1	ZINC22_243893340	338.447	AQADOUZAOCNQMY-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090746
Cc1sc2c(n1)CN(C2)S(=O)(=O)c1cnn(c1)CC1CCC1	MCULE-2028075987,EMOLS-id_319985925	338.448	GFCBYVZBIYAMCT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-090747
CCCCOCCOCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111499159	338.448	QHJIOMSCRXZNEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090748
N#Cc1c(NC(=O)CSCC2CCCCO2)nc2n1CCS2	EMOLS-id_99351202	338.448	WYZKHHHHFSUDLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090749
O=S(=O)(c1cnc2n1CCC2)NC1(CCCC1)c1nccs1	EMOLS-id_100227223	338.448	TXHBIDRPIZHZSC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-090750
O=S(=O)(c1cnc2n1CCC2)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102020914	338.448	OAOXDNKJWJAHMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090751
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)c1ccccc1	PC-id_111723059	338.45	FUSZYVGHVFFRKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090752
CC/N=C(/NCc1nnc2n1CCC2)NCC1(c2ccccc2)CC1	ZINC22_95948140,PC-id_75419797	338.45	QRPAMPFNPQCCHM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-090753
CN=C(N1CCC(C1)c1ccccc1C)NCc1nnc2n1CCC2	PC-id_119142889	338.45	KRCMDRNLOKNSAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090754
CN=C(N1CCC(C1)Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_111724619	338.45	ZDZFZIIQZSLGHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090755
CN=C(N1CCC(C1)(C)c1ccccc1)NCc1nnc2n1CCC2	PC-id_120059559	338.45	PETNPRNHIIRACA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090756
CN=C(NCc1nnc2n1CCC2)NCC1(CCC1)c1ccccc1	PC-id_111020567	338.45	DJDCBPXJZCCITB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-090757
N(c1cc(c(/N=C/c3n(N=C2C)c(nn3)CCC)cc1)C)(CC)CC	PC-id_22944606	338.45	SPWQGXJEFVXRES-CZIZESTLSA-N	00000011100000110001000010000000000000000000000000000000	25-01-090758
CC1(CC(c2c1sc(c2CCC(=O)O)C(C)(C)C)CC(=O)O)C	SCHEMBL20462875,PC-id_135296187	338.462	YUGBNLTZPPOOEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090759
c1(NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385437,MCULE-8136945077	338.465	SVDXURMGHBNPAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090760
c1(NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1401655775,EMOLS-id_334385426	338.465	CLOSZQRSWJIDHI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090761
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1687741045,EMOLS-id_334392338	338.465	BYGUYCNIJAHZTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090762
CCOC(=O)c1c(NC(=O)CNC(C)(C)CC)sc2c1CCC2	CoCoCo_3687871,PC-id_17541382,ZINC22_12793015,MCULE-3631167299,EMOLS-id_16801217	338.465	MSLHOVWPXTXKGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090763
s1c2c(CCC2)c(c1NC(=O)C(N(CC)CC)C)C(=O)OCC	PC-id_10712067	338.465	KGSIORSVJNLBJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090764
s1c2c(CCC2)c(c1NC(=O)CN(CCCC)C)C(=O)OCC	PC-id_31477844	338.465	YVXQLWTYZBQOCZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090765
s1c2c(CCC2)c(c1NC(=O)CN(C(CC)C)C)C(=O)OCC	PC-id_56549373	338.465	IRUMHIVLQXEJAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090766
c1(NC(=O)CCc2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	MCULE-8488625965,EMOLS-id_8867864,TIMTEC561305,ZINC22_36614101,PC-id_19591163	338.466	XYANRLAIRYVGLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090767
c1(NC(=O)CCCc2ccc(cc2C)C)sc2c(CCC2)c1C#N	MCULE-9450247774,EMOLS-id_322818344	338.466	JKNPLQFWWYBZEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090768
c1(NC(=O)CCCc2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_322818088,MCULE-7074880686	338.466	GIXGVMZCBQGTKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090769
CCC(C(C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1)C	SCHEMBL2644452,PC-id_11393603	338.466	MAJDJCBRKCKZTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090770
s1c2CCCc2cc1C(=O)N/N=C
/CCC(CC1)c1ccccc1	PC-id_9462603	338.466	UWYNCNOILGVQRC-FXBPSFAMSA-N	00000010100010110000100010000000000000000000000000000000	25-01-090771
CCCC1C(NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_21735819,SCHEMBL9653029	338.467	IEYKMMQIOFNQPO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090772
CC(NC1(C)Cc2c(S1(=O)=O)sc(c2C)S(=O)(=O)N)C	SCHEMBL9711124,PC-id_67912742	338.467	ADYXAGQCPZYSQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090773
CCN(C1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)CC	SCHEMBL9711101,PC-id_19759881	338.467	PZSRWLHQKUOWGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090774
CC(NCC1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	SCHEMBL9711120,PC-id_19759864	338.467	WWADATKKXBSCEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090775
C[C@@]1(CCCO)CCCN1C(=O)NCCc1cn2c(n1)SCC2	ZINC22_275099408	338.468	JOZZBQCRZYLXQH-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090776
C[C@]1(CCCO)CCCN1C(=O)NCCc1cn2c(n1)SCC2	ZINC22_275099409	338.468	JOZZBQCRZYLXQH-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090777
CCC(N1CCN(CC1)CC(=O)Nc1sc2c(n1)CCC2)CO	PC-id_111497016	338.468	ACTGUNQZKQJLSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090778
C[C@@H](CN1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)O	EMOLS-id_102008913	338.468	IQLKNGGWBGVGHU-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-090779
CC(N1C2CCC1CN(CC2)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100215904	338.468	ZERJLNLPFVTYBR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-090780
CC(NC(=O)Nc1sc2c(n1)C(CC2)(C)C)CN1CCOCC1	EMOLS-id_102000093	338.468	LJFYSKHBSJFPPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090781
CN1CCC(CC1)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100236001	338.468	YZIIZEAGWKTQFF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090782
CN1CCC(CC1)(O)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003576	338.468	XRQNZJAZDMMHPP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090783
Cn1nc2c(c1S(=O)(=O)N1CCN(C3CCCC3)CC1)CCC2	ZINC22_1875288497	338.468	ICVQJYFNHJJRFD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090784
COCCN1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001983	338.468	CDUDMKYXJFGGKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090785
OCCCC1(C)CCCN1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_316328367,MCULE-4275773395	338.468	JOZZBQCRZYLXQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090786
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(N1CCOCC1)C	EMOLS-id_102000054	338.468	OKSOETCLSVLTCH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090787
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCN1CCOCCC1	EMOLS-id_102007263	338.468	PMPQPWQBNASUKD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-090788
O=C(N(CCN1CCOCC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002004	338.468	WPCVNACOZKLUDA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090789
O=S1(=O)CCCC1CN1CCN(CC1)Cc1nn2c(c1)CCC2	EMOLS-id_279103426	338.468	QTNASARTGUBUOS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090790
O=S(=O)(c1cnc2n1CCC2)N1CCCC1CN1CCCCC1	EMOLS-id_100176311	338.468	UMFGFGGWCJUJIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090791
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)CN1CCCCC1	EMOLS-id_100206715	338.468	CJSFCOONVJOGIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-090792
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)N1CCCCC1	EMOLS-id_100178003	338.468	VPSZSPPIDBQQGF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090793
O=S(=O)(c1cnc2n1CCC2)N1CCCC(CC1)N1CCCC1	EMOLS-id_100184886	338.468	MYKPFRSKQGBZMO-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-090794
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)C1CCCCC1	EMOLS-id_100221157	338.468	KMVBFELJOJQQMJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090795
O=S(=O)(c1cnc2n1CCC2)NC1CCN(CC1)C1CCCC1	EMOLS-id_100221025	338.468	OZMMETXYYHHUMW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-090796
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)CC)C(=O)N	PC-id_7789020	338.468	CXRFTNIETXPQQO-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-090797
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCC(C)C	PC-id_7685465	338.468	IPMMQKZLWCMMGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090798
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)CC(C)(C)C	PC-id_44052859	338.468	NRAHKXAWABUMJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090799
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)C(CC)CC	PC-id_44052860	338.468	YDCGLHQTBICBMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090800
c1(CN(C)Cc2cnc(c3ccccc3C)s2)[nH]nc2CCCc12	ZINC22_67515147,PC-id_50951725,MCULE-9449853688,EMOLS-id_32374948	338.47	WYBVDYWYLAEESH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090801
Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)n2ncnc12	ZINC22_925099388	338.47	WJCSJCFOMPAYRF-BHYGNILZSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090802
Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)n2ncnc12	ZINC22_925099390	338.47	WJCSJCFOMPAYRF-HYVNUMGLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090803
Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)n2ncnc12	ZINC22_925099391	338.47	WJCSJCFOMPAYRF-PVAVHDDUSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090804
Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)n2ncnc12	ZINC22_925099392	338.47	WJCSJCFOMPAYRF-XIRDDKMYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-090805
CCCCN(CCC)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328336796,MCULE-1378095070	338.486	DZLQNRNRPLGYHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090806
c1(NC(=O)CS(=O)CCCCCC)sc2c(CCC2)c1C#N	MCULE-5041437512,EMOLS-id_320644851	338.488	OABNSQCNKVYQNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090807
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCC(CC1)C	MCULE-4701133312,TIMTEC94027,CoCoCo_6620631,EMOLS-id_4018423,PC-id_4508770,ZINC22_6634547	338.488	CCMUFSMHTQQJSN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090808
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCCC(C)C1	EMOLS-id_30081132,TIMTEC21703,MCULE-7296003044,SPECS-id_AO-476/43417040,PC-id_19653918	338.488	PYRLOWWIWQCMIA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090809
COC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc2c1CCC2	PC-id_51529080,ZINC22_13826383,CoCoCo_6964806	338.488	PYRLOWWIWQCMIA-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090810
COC(=O)c1c(NC(=S)N2CCC[C@H](C)C2)sc2c1CCC2	PC-id_51529081,CoCoCo_6964805,ZINC22_13826385	338.488	PYRLOWWIWQCMIA-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-090811
s1c2c(CCC2)c(c1NC(=S)N1C(CCCC1)C)C(=O)OC	PC-id_19653975	338.488	BQIRPBJFKIAZCU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090812
s1c2c(CCC2)c(c1NC(=S)N1CCCCCC1)C(=O)OC	PC-id_17297672	338.488	BIGYNMGAKAKVLH-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-090813
s1c2c(CCC2)c(c1NC(=S)NC1CCCCC1)C(=O)OC	PC-id_8748139	338.488	SRDWSWAXDXOFEP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090814
S(C1CCCCC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_60482639	338.488	RXFJGGAVYHAMMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090815
c12CN(Cc1nn(CC1CCCCC1)c2CNC)Cc1ccccc1	EMOLS-id_324353635,MCULE-8251791288	338.49	KAESXRPXIKTAOQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-090816
C1CCCN(CC1)Cc1ccccc1CNCc1cnc2n1CCC2	EMOLS-id_318304785	338.49	JSAAXQHIWRWUPP-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-090817
CC(c1sc(c2c1CCC2)C(c1ccc[nH]1)(C)C)(c1ccc[nH]1)C	PC-id_102575727	338.51	LTWIQFFOZRUTFR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-090818
CCC1CCCCN1CCCNC(=O)c1sc2c(c1)CSC2	CK3031940,PC-id_6622456	338.531	ZPDVBERPWMIDIC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-090819
C[Si]1(CC[Si](N1CCCn1c(c2CCCc2c1O)O)(C)C)C	PC-id_91501616	338.593	OZBGEEAXFMWTJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090820
CC[Si](CC)(CC)c1c2COCc2c(o1)[Si](CC)(CC)CC	PC-id_135035910	338.632	IVBMKMXYGULBQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090821
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)n(C)nc2CSCc12	EMOLS-id_334565311,MCULE-9147315271	338.769	HMGZLXNDZVQTMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090822
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)n(C)nc2CSCc12	EMOLS-id_334568114,MCULE-8401958670	338.769	RGHRFDDIONRUFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090823
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)n(C)nc2CSCc12	MCULE-9423599442,EMOLS-id_334569138	338.769	QHRGDPIOTFHKHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090824
c1(NC(=O)c2ccc(cc2Cl)F)sc2c(CCC2)c1C(=O)N	EMOLS-id_2293377,PC-id_2087167,TIMTEC339229,CHEMBL1346565,CoCoCo_1050877,ZINC22_2625030,ChEMBL-DNDi_CHEMBL9051770,SCHEMBL8290776,MCULE-2490869403,ChEMBL-DNDi_CHEMBL1346565	338.784	NQDIRJYKXCNFIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090825
Clc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)c(F)cc1	PC-id_26832616	338.784	PVTDDPSJPLVPIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090826
Clc1c(C(=O)NNC(=O)c2sc3CCCc3c2)ccc(F)c1	PC-id_27684513	338.784	MQPZOQSDQGGKHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090827
NC(=O)c1c2c(CCC2)sc1NC(=O)c1c(Cl)cccc1F	ZINC22_14180353,SCHEMBL8288827,CoCoCo_3218592,EMOLS-id_13505859,MCULE-7746407523,PC-id_17460280	338.784	QDZQNZMEYUFOMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090828
C1CC(CNC1)C(=O)N(C1CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960022	338.789	LPZZZXAEHXLLFB-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-090829
C1c2c(CN1CCOc1ccc(cc1)Cl)sc(c2)C(=O)NO	PC-id_87208668,SCHEMBL1173845	338.809	ZHNJRJSWNKJKQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090830
Clc1ccc(OC(C(=O)Nc2onc3c2CSC3)(C)C)cc1	PC-id_49719065	338.809	LELSZUGAGDDWAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090831
COc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1OC	EMOLS-id_18900074,ZINC22_12920638,PC-id_25605517,MCULE-7823927312,CoCoCo_4164232	338.809	TYWQBPFXAGKGKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090832
c1(C(=O)N)c2CCCc2sc1NC(=O)c1c(Cl)c(nn1C)C	ZINC22_2779127,MCULE-8181775529,EMOLS-id_4018549,TIMTEC329411,PC-id_4770402	338.812	NEZZCKFMGQLSLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090833
Clc1ccc(OC(C(=O)Nc2n3CCSc3nn2)(C)C)cc1	PC-id_16031398	338.812	DJKZMJVOGFAICL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090834
Cc1ccc(cc1)S(=O)(=O)N/N=C/1CCn2c1nc(c2Cl)C	SCHEMBL20645796,PC-id_137412399	338.813	FYKPAHUOWQHLIP-SFQUDFHCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090835
Clc1sc2c(C(NCC3CCN(C3)CC(F)(F)F)CC2)c1	PC-id_81234125	338.819	WMUIQJKUMIBKGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090836
Cc1ccc(F)c(C(=O)NCCc2nc3CCCc3s2)c1Cl	ZINC22_299774800,PC-id_118773540,MCULE-4814490560,EMOLS-id_68896983	338.827	GLSOKEFOHCJLEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090837
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(cc1)Cl	MCULE-6680822722,EMOLS-id_322628164	338.832	JBWFBBDRAVUNSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090838
O=C(OCc1c(Cl)nc2sccn12)c1cc2c(s1)CCC2	MCULE-4464105897,ZINC22_3250189,CoCoCo_3788707,EMOLS-id_48984540,PC-id_2367292	338.832	YEOMJRAWEAXTEF-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-090839
CSc1nc2n(n1)C(=S=N2)N(/N=Cc1ccc(cc1)Cl)C	PC-id_101031886	338.839	QORDWKBYEDXJDI-AUWJEWJLSA-N	00000011100000110001000010000000000000000000000000000000	25-01-090840
Clc1sc2c(C(NCc3cc(F)c(CN(C)C)cc3)CC2)c1	PC-id_75497186,EMOLS-id_49298421,MCULE-5286781393	338.871	DWHNKKNUAYHWKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090841
CN(Cc1ccc(cc1F)CN[C@@H]1CCc2c1cc(s2)Cl)C	PC-id_97108596	338.871	DWHNKKNUAYHWKW-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090842
CN(Cc1ccc(cc1F)CN[C@H]1CCc2c1cc(s2)Cl)C	PC-id_97108597	338.871	DWHNKKNUAYHWKW-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090843
Clc1ccc(SCCC(=O)Nc2nc3CCCc3s2)cc1	PC-id_7254655,EMOLS-id_5566076,CoCoCo_5138763,MCULE-2155735131,ZINC22_4496590	338.875	RMYDQLWDZUKYOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090844
Clc1c(SC(C(=O)Nc2sc3CCCc3n2)C)cccc1	PC-id_75897656	338.875	FHLZKENZTYJILX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090845
Clc1c(S[C@H](C(=O)Nc2sc3CCCc3n2)C)cccc1	PC-id_52672565	338.875	FHLZKENZTYJILX-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-090846
Clc1c(S[C@@H](C(=O)Nc2sc3CCCc3n2)C)cccc1	PC-id_52672566	338.875	FHLZKENZTYJILX-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090847
Clc1sc2CCC(Nc3c(SCC(=O)N)cccc3)c2c1	PC-id_81235060	338.875	CTHGCMJJOZQOFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090848
O=C(CSCc1cccc(Cl)c1)Nc1nc2c(s1)CCC2	MCULE-8133394537,ZINC22_25767942,PC-id_33039607,EMOLS-id_33336642,CoCoCo_4164239	338.875	AAKUZMJYWYRMGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090849
O=C(CSCc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2	ZINC22_32772641,PC-id_40002176,MCULE-2408435778,EMOLS-id_24489692,CoCoCo_4164240	338.875	ZDLKCGKEOLYQTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090850
COCCN1Cn2c(C1=O)nc(c2Br)Br	PC-id_140263708	338.984	CFMRFKNCHJOFHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090851
CCN1C(=O)c2c(C1=O)c(sc2Br)Br	SCHEMBL15501088,PC-id_89991171	339.004	TTWGDWVQRPLSCW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090852
C1C2=C(CN1S(=O)(=O)N)NN=C2C(C3=CC=CC=C3F)C(=O)N	PC-id_153863865	339.08	HLTXEFNYQWHCAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090854
C1C2=C(CN1S(=O)(=O)N)NN=C2C(C3=CC(=CC=C3)F)C(=O)N	PC-id_153863866	339.08	DIMFEPQMYYKGPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090855
C1C2=C(CN1S(=O)(=O)N)NN=C2C(C3=CC=C(C=C3)F)C(=O)N	PC-id_153863867	339.08	HRXNJKHIQUTJMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090856
CN(C1=CC=CC=C1)C(=S)CN2C(=C3CCCC3=N2)C(F)(F)F	PC-id_164946708	339.102	XALMTZHXZDHUQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090857
c12CN(Cc1nn(CCF)c2I)C(=O)OC	EMOLS-id_324343652,MCULE-6234468694	339.105	YCHQXMPBFRAWIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090858
CC1=C(N=NN1CC2=CC=NC=C2)NC(=O)C3=CC4=C(S3)CCC4	PC-id_154759507,MCULE-5723615123,EMOLS-id_257912443	339.115	JFRMIZUCSUHFBX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090859
CC1=C(C=NN1CCF)SN2C=C3CN(CC3=N2)C(=O)CCO	PC-id_164872037	339.117	SNKRTJBCWVRLNB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090860
C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)N[C@@H]3C[C@H]3C4=CC=CO4	EMOLS-id_317354263,MCULE-7602560527,PC-id_154772036	339.119	APKVYKWISPHNEX-GHMZBOCLSA-N	00100010101000000001100010000000000000000000000000000000	25-01-090861
C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)NC3=C(C=NN3)C4CC4	PC-id_154780447	339.131	DKNIEIDRKMSPGS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-090862
c1(NC(=O)C(F)(F)Br)sc2c(CCC2)c1C(=O)N	MCULE-1435438518,CoCoCo_228681,ZINC22_4976270,BAS-02052748,EMOLS-id_1363121,PC-id_3136963	339.156	PLHQFCZZMOENQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090863
Brc1cnc(c(c1)F)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318962511	339.163	SWKUINGWCIGNNR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090864
Brc1cnc(c(c1)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319595233	339.163	NJXCZQNQRSLURA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090865
O=C(NCc1nnc2n1CCC2)c1cc(Br)ccc1F	EMOLS-id_30683230,ZINC22_48288780,MCULE-3794279350,PC-id_47017177	339.163	LGXXDGMGOZWTPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090866
O=C(NCc1nnc2n1CCC2)c1ccc(Br)cc1F	EMOLS-id_16788574,ZINC22_12769954,MCULE-5020535961,PC-id_17537488,CoCoCo_4560526	339.163	IOLIGONFHGQSOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090867
O=C(NCc1nnc2n1CCC2)c1ccc(F)cc1Br	CoCoCo_4560509,ZINC22_24778479,PC-id_32090198,EMOLS-id_18858330,MCULE-7725808302	339.163	IRROTJIJMSMOCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090868
O=C(NCc1nnc2n1CCC2)c1cc(F)cc(Br)c1	EMOLS-id_36634980,MCULE-4940633345,PC-id_52243989,ZINC22_46780072	339.163	JBCWXJXLAZKUFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090869
O=C(NCc1nnc2n1CCC2)c1cc(F)ccc1Br	ZINC22_12995168,CoCoCo_4491089,PC-id_17505595,EMOLS-id_16693789,MCULE-1225181329	339.163	CKAGMQQFRKJDJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090870
CC1=CC(=C(C(=C1)OC)OC)C2=NC=CN2CC3=NN=C4N3CCC4	PC-id_165426360	339.17	MTXUQCOCIRIMNV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-090871
Cc1oc(nc1C)CNC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_319283630	339.188	YGDVKURHSWDBEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090872
CCc1nn(c2[n+]1N=C(C2=Nc1cc(c(c(c1)Cl)O)Cl)C)C	PC-id_136022082	339.2	QZWMMFZUSLYLEU-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-090873
N#Cc1c(NC(=O)c2cc(Cl)nnc2Cl)sc2c1CCC2	PC-id_108096434	339.2	ICIFHUSTPNXEFX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-090874
CC1CCc2c1c(CO)nn2Cc1cc(Br)ccc1F	EMOLS-id_331010041,MCULE-3433398762	339.203	ZMBXKORBLVDNDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090875
CC1CCc2c1c(CO)nn2Cc1ccc(Br)cc1F	MCULE-5608353960,EMOLS-id_331008505	339.203	LIADIHDLLRCXIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090876
CC1CCc2c1c(CO)nn2Cc1ccc(Br)c(F)c1	MCULE-6811681911,EMOLS-id_331008761	339.203	JDVBUSHHEZGNTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090877
CC1CCc2c1c(CO)nn2Cc1cccc(Br)c1F	EMOLS-id_331006202,MCULE-7159671937	339.203	FELIELZOKIKREL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090878
CC1CCc2c1c(CO)nn2Cc1cccc(F)c1Br	EMOLS-id_331008250,MCULE-8340972953	339.203	CQVIDLDQUOCPEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090879
CC1CCc2c1c(CO)nn2Cc1ccc(F)c(Br)c1	MCULE-6781299229,EMOLS-id_331009785	339.203	VYNINKAUEVTKLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090880
CC1CCc2c1c(CO)nn2Cc1ccc(F)cc1Br	MCULE-1629136570,EMOLS-id_331007738	339.203	MUGNRRXARZGEFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090881
CC1CCc2c1c(CO)nn2Cc1cc(F)cc(Br)c1	MCULE-1299686486,EMOLS-id_331006458	339.203	DCWJXLOUDKYZCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090882
CC1CCc2c1c(CO)nn2Cc1c(F)cccc1Br	EMOLS-id_331007994,MCULE-3694008328	339.203	KXQPYCLHOMNFBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090883
CC1CCc2c1c(O)nn2Cc1c(F)ccc(C)c1Br	EMOLS-id_330958834,MCULE-7907828213	339.203	YNBBIFUCMJNZEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090884
CC1CCc2nn(Cc3cc(Br)ccc3F)c(CO)c12	MCULE-7056117869,EMOLS-id_330992820	339.203	RESZGXDWVSQNRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090885
CC1CCc2nn(Cc3ccc(Br)cc3F)c(CO)c12	EMOLS-id_330991284,MCULE-5849600477	339.203	GLBKITJGZFZJFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090886
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(CO)c12	EMOLS-id_330991540,MCULE-6548481382	339.203	QFPOICBBMSROTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090887
CC1CCc2nn(Cc3cccc(Br)c3F)c(CO)c12	MCULE-9293568751,EMOLS-id_330993076	339.203	WQKFYJVOKJCWHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090888
CC1CCc2nn(Cc3cccc(F)c3Br)c(CO)c12	MCULE-7841791113,EMOLS-id_330991029	339.203	ULIHOZKUSSBTJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090889
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(CO)c12	MCULE-3226075240,EMOLS-id_330992564	339.203	FQURFNRSKHNFQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090890
CC1CCc2nn(Cc3ccc(F)cc3Br)c(CO)c12	MCULE-4507556684,EMOLS-id_330990517	339.203	ZWDJCSCAVXQZCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090891
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(CO)c12	EMOLS-id_330993332,MCULE-9321631621	339.203	DCBRBFRVFOYITI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090892
CC1CCc2nn(Cc3c(F)cccc3Br)c(CO)c12	EMOLS-id_330990773,MCULE-3994743043	339.203	RBUQQOAHARKVQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090893
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(O)c12	MCULE-3451461548,EMOLS-id_331005103	339.203	ZLMTWLHJVJOWKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090894
COc1cccc(Cn2nc3CCC(C)c3c2Br)c1F	EMOLS-id_331015336,MCULE-5300096325	339.203	FTTOEUYVLQYLJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090895
COc1cccc(Cn2nc(Br)c3C(C)CCc23)c1F	EMOLS-id_330967803,MCULE-3297366065	339.203	BEYQJQSJIQKRHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090896
COc1cccc(F)c1Cn1nc2CCC(C)c2c1Br	EMOLS-id_331014570,MCULE-5727149041	339.203	VPCCYDFFGXTCRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090897
COc1cccc(F)c1Cn1nc(Br)c2C(C)CCc12	MCULE-1745676766,EMOLS-id_330967037	339.203	JTOUUYCIEZXAKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090898
COc1ccc(Cn2nc3CCC(C)c3c2Br)cc1F	MCULE-3320654653,EMOLS-id_331016872	339.203	GKQXDRUSRHDHDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090899
COc1ccc(Cn2nc3CCC(C)c3c2Br)c(F)c1	EMOLS-id_331017128,MCULE-3670257225	339.203	RIFHYPPAXGOZAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090900
COc1ccc(Cn2nc(Br)c3C(C)CCc23)cc1F	MCULE-4714554237,EMOLS-id_330965244	339.203	HFMRXVMJEZLFOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090901
COc1ccc(Cn2nc(Br)c3C(C)CCc23)c(F)c1	MCULE-6796121725,EMOLS-id_330965500	339.203	HGNYHRFDIGPVHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090902
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1Br	EMOLS-id_331014314,MCULE-8770341129	339.203	LECPTDPNWXVURY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090903
COc1ccc(F)cc1Cn1nc(Br)c2C(C)CCc12	MCULE-5021610255,EMOLS-id_330966781	339.203	BZPCYXIASBPILM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090904
COc1ccc(F)c(Cn2nc3CCC(C)c3c2Br)c1	EMOLS-id_331015080,MCULE-1270146303	339.203	MXASIANXAUFDDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090905
COc1ccc(F)c(Cn2nc(Br)c3C(C)CCc23)c1	EMOLS-id_330967547,MCULE-4987509683	339.203	UFHTYWPRPSJFPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090906
COc1cc(Cn2nc3CCC(C)c3c2Br)ccc1F	EMOLS-id_331015592,MCULE-1224076337	339.203	UVEZVYITSCFTQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090907
COc1cc(Cn2nc(Br)c3C(C)CCc23)ccc1F	MCULE-1293514422,EMOLS-id_330968059	339.203	MHDHVUQXYLNOAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090908
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1Br	EMOLS-id_331014826,MCULE-9861479797	339.203	IYWOXCOXHVAIEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090909
COc1cc(F)ccc1Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330967293,MCULE-5027043630	339.203	ZXDQBOUHGQKYRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090910
COc1cc(F)cc(Cn2nc3CCC(C)c3c2Br)c1	MCULE-4614210019,EMOLS-id_331015848	339.203	SMQYYPHJOKOTLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090911
COc1cc(F)cc(Cn2nc(Br)c3C(C)CCc23)c1	EMOLS-id_330968315,MCULE-5889673080	339.203	BOBOKJOUEJYTAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090912
COc1c(F)cccc1Cn1nc2CCC(C)c2c1Br	EMOLS-id_331015082,MCULE-3272744855	339.203	UISZMDLSHLXNEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090913
COc1c(F)cccc1Cn1nc(Br)c2C(C)CCc12	EMOLS-id_330967549,MCULE-9493487253	339.203	QDIZHVMQSYCQQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090914
Brc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)F	PC-id_43748058,EMOLS-id_317956493,MCULE-9021230679	339.206	DZYDEGIHWPMRQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090915
Brc1ccc(c(c1)F)C(NC1CC(n2c1ncn2)C)C	EMOLS-id_318246458,MCULE-1943151788	339.206	ZOJCTWGBCOSPDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090916
Brc1ccc(c(c1)F)CNC(c1nnc2n1CCC2)C	EMOLS-id_317948763,MCULE-3693437257,PC-id_43748119	339.206	PEWMKUONDAVCLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090917
Brc1cc(CNC(c2n3CCCc3nn2)C)ccc1F	MCULE-5182890440,PC-id_43433209,EMOLS-id_317941112	339.206	LCRJMZSAGRJNBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090918
Brc1cc(CN[C@H](c2n3CCCc3nn2)C)c(F)cc1	PC-id_51886322	339.206	DZYDEGIHWPMRQM-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-090919
Brc1cc(CN[C@@H](c2n3CCCc3nn2)C)c(F)cc1	PC-id_51886324	339.206	DZYDEGIHWPMRQM-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090920
Brc1cc(F)c(CN[C@H](c2n3CCCc3nn2)C)cc1	PC-id_51886328	339.206	PEWMKUONDAVCLZ-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-090921
Brc1cc(F)c(CN[C@@H](c2n3CCCc3nn2)C)cc1	PC-id_51886331	339.206	PEWMKUONDAVCLZ-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090922
Brc1c(F)cc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_81002063,MCULE-6368828968,EMOLS-id_317951413	339.206	AODDMLLPXGSCTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090923
CC(c1nnc2n1CCC2)NCc1cccc(c1F)Br	EMOLS-id_317945517,MCULE-8219646604	339.206	YDYYCNMKWVNGFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090924
Fc1ccc(Br)c(CNCCc2nnc3n2CCC3)c1	MCULE-3432478263,EMOLS-id_48295676,PC-id_75434819,ZINC22_90169016	339.206	LSHPPPJHTMESAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090925
Fc1ccc(c(c1)Br)CNC(c1nnc2n1CCC2)C	PC-id_103792512,EMOLS-id_317944405,MCULE-5886052909	339.206	SZNOJSNFJGEYEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090926
Fc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)Br	EMOLS-id_317967234,MCULE-3992753593,PC-id_103866084	339.206	SGWMUOQYVYTBOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090927
Fc1cccc(c1CNC(c1nnc2n1CCC2)C)Br	EMOLS-id_317978475,MCULE-9098009725	339.206	VJZDPZHITBVUFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090928
Fc1cc(CNC(c2nnc3n2CCC3)C)cc(c1)Br	MCULE-4877337047,EMOLS-id_317957209	339.206	DXLMMOCRDSIXML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090929
Brc1cc(O)c(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_61781868	339.208	LSYFENNHQSIIKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090930
Brc1sc2c(n1)CN(C2)C(=O)OCc1ccccc1	PC-id_145711642	339.208	WVCFQFTZGOSAGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090931
O=C(c1ccc(c(c1)O)Br)Nc1sc2c(n1)CCC2	PC-id_103872321	339.208	UQFSZNWOBKXPIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090932
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)Br	PC-id_104287591	339.208	IRQHXPJUMJEEPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090933
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)Br	PC-id_104287593	339.208	CUESFDPFWZECQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090934
OC(=O)C1CCc2c1nc(s2)Nc1ccccc1Br	PC-id_113395659	339.208	PORWZIKLJZEDAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090935
Brc1cc(C(=O)Nc2sc3CCCc3n2)c(nc1)N	PC-id_62186325	339.211	VAFFYBNLYNGLIV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090936
Brc1sc(C=NNC(=O)c2n[nH]c3CCCc23)cc1	PC-id_2042473	339.211	DKMLFDXVHDDELT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-090937
O=C(c1cncc(c1N)Br)Nc1sc2c(n1)CCC2	EMOLS-id_320245665,MCULE-7959446213	339.211	SKYOWTXTFIDRNT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090938
c1(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c2CCCc2nn1C	EMOLS-id_53884683,MCULE-8566161729,PC-id_91819407,ZINC22_225818564	339.22	ABOSKJKVHPOVLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090939
CC(Cc1ccc(cc1Cl)Cl)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_320302362,MCULE-9602590922	339.22	KMAVHRPBNIOZQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090940
C[C@H](C(=O)NCc1nnc2n1CCC2)c1c(Cl)cccc1Cl	PC-id_95278775,ZINC22_69387754	339.22	QEOMXNWIGQLGQY-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-090941
C[C@@H](C(=O)NCc1nnc2n1CCC2)c1c(Cl)cccc1Cl	PC-id_95278776,ZINC22_69387761	339.22	QEOMXNWIGQLGQY-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090942
Clc1c(CCC(=O)NCc2n3CCCc3nn2)cccc1Cl	PC-id_39296764	339.22	TZMKECJUKCVQMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090943
Clc1c(C(C(=O)NCc2n3CCCc3nn2)C)c(Cl)ccc1	MCULE-1717696505,PC-id_53558776,EMOLS-id_36299642	339.22	QEOMXNWIGQLGQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090944
CN(Cc1nnc2n1CCC2)C(=O)Cc1ccc(Cl)cc1Cl	EMOLS-id_31936746,ZINC22_44934923,MCULE-3153051623,PC-id_45819276	339.22	JLHJYMASKAAGCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090945
O=C(C1NCc2c1c[nH]n2)NCC(c1c(Cl)cccc1Cl)C	EMOLS-id_319398578	339.22	OERMTKDOUNIGCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090946
O=C(Cc1c(Cl)cccc1Cl)NCCc1nnc2n1CCC2	MCULE-5771220732,PC-id_53503705,ZINC22_54562524,EMOLS-id_35688774	339.22	QFHMXDXCSNWIKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090947
O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nnc2n1CCC2	MCULE-1708808619,PC-id_53555274,EMOLS-id_36297620,ZINC22_69349779	339.22	QCIQHGIGIMWOHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090948
Brc1ccc(c(c1)CC(=O)c1sc2c(c1)CCC2)F	PC-id_113656550	339.223	SCEWBFIFOVFYLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090949
Brc1ccc(c(c1)F)CC(=O)c1sc2c(c1)CCC2	PC-id_114968530	339.223	AHXUBVMCDFZGIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090950
Fc1ccc(c(c1)Br)CC(=O)c1sc2c(c1)CCC2	PC-id_113656726	339.223	AVMZVLQNPMCQMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090951
Fc1cc(cc(c1)Br)CC(=O)c1sc2c(c1)CCC2	PC-id_115786768	339.223	SQRRSTILHWJKCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090952
Fc1ccc(c(c1)CC(=O)c1sc2c(c1)CCC2)Br	PC-id_114968203	339.223	PAANPFWDAGWYJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090953
O=C(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Br)F	PC-id_113656273	339.223	GHJQVEJBZCEBHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090954
O=C(c1sc2c(c1)CCC2)Cc1cccc(c1Br)F	PC-id_115790125	339.223	ROFCWDJIZSGLLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090955
BrCS(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_315811393,PC-id_83084133	339.229	SFMUFJXUZWCVSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-090956
CN1CC2CC1(CNC(=O)c1nn3c(c1Br)CCC3)C2	EMOLS-id_319290167	339.231	BXXDUAGEEAKLPE-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-090957
O=C(c1nn2c(c1Br)CCC2)NC1(CC1)C1CNCC1	EMOLS-id_318869289	339.231	REDGNISNCHUZAN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-090958
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)n1	MCULE-2964531412	339.24	JXDSRJYCHFJKQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090959
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)n1	MCULE-9657591283	339.24	HANVENLOUBFGII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090960
Clc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1Cl	EMOLS-id_334663636	339.24	HANVENLOUBFGII-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090961
Clc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)c(Cl)c1	EMOLS-id_181474895,PC-id_84559967	339.24	JXDSRJYCHFJKQB-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090962
Clc1c(C=NNC(=O)c2sc3CCCc3c2)cccc1Cl	PC-id_85015491	339.24	XFUBAOGODVNFOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090963
Clc1c(C=NNC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_85015468	339.24	KCIAGJUYCANUBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090964
Clc1c(C=NNC(=O)c2sc3CCCc3c2)c(Cl)ccc1	PC-id_85015552	339.24	ZTMIDUFQZVYLPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090965
Brc1cc(C(O)c2sc3c(CCC3)c2)ccc1OC	PC-id_61100998	339.247	ROBQSFQPJMDWGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090966
Brc1cc(C(O)c2sc3c(CCC3)c2)c(OC)cc1	PC-id_61100145	339.247	TUHLGJTXXJJJCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090967
Brc1c(C(O)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_61081909	339.247	FIJBDAFADZJKGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090968
Brc1cc(C(N)c2sc3CCCc3n2)ccc1OC	PC-id_61331492	339.251	SVQCJXBSJZAEQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090969
Brc1cc(C(N)c2sc3CCCc3n2)c(OC)cc1	PC-id_61331089	339.251	SZRUKBPWKQNCOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090970
Brc1cc(n(c1)C)C(=O)NCc1sc2CCCc2c1	PC-id_61208793	339.251	GIFHUGMQFPKVHJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-090971
CCCn1ncc(c1C(=O)c1sc2c(c1)CCC2)Br	PC-id_115804738	339.251	GTMOFMHSHBXIEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090972
CC(n1ncc(c1C(=O)c1sc2c(c1)CCC2)Br)C	PC-id_115805425	339.251	OBTSJRRKZHQIAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090973
COc1ccc(c(c1)C(c1sc2c(n1)CCC2)N)Br	PC-id_108404316	339.251	JZJSXKLCCDEPPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090974
COc1ncnc(c1)CC(c1sc2c(c1)CCC2)Br	PC-id_104304459	339.251	JBWVCZQCBUHLEJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-090975
O=C(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Br)C	PC-id_113658557	339.251	WYYHUVQCMKKDLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090976
Brc1cnc(c(c1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_318042582,MCULE-2445001691	339.254	GVPVBFIFCVIASH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090977
Brc1cnc(cc1C)NCCc1cn2c(n1)SCC2	EMOLS-id_318126657,MCULE-9801074093	339.254	KJXHBEPGXJMWON-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090978
Brc1sc2c(c1)C(CC2)NCc1nnc2n1CCC2	EMOLS-id_318600387,MCULE-2288270456	339.254	IEBPVSJBJUTHBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-090979
Cc1ccnc(c1Br)NCCc1cn2c(n1)SCC2	EMOLS-id_318182082,MCULE-6534254374	339.254	MWWVGMANBKVHCP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090980
s1c(c2c(NC(=O)NCc3n4CCCc4nn3)cccc2)ccc1	PC-id_52195840	339.415	SBGCKUYXKZOZPE-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-091308
Cc1cnc(c(c1)Br)NCCc1cn2c(n1)SCC2	EMOLS-id_318111975,MCULE-8916152284	339.254	KTEFQCYCJPLKAJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090981
Cc1nc(NCCc2nc3n(c2)CCS3)ccc1Br	MCULE-9990277689,EMOLS-id_318193138	339.254	ROKNBASWIHJZSD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-090982
BrC(c1sc2c(CCC2)c1)c1cc(c(F)c(c1)C)C	PC-id_65296915	339.266	NJUMTRCMYAVDMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090983
Fc1cc(C)c(c(c1)C)C(c1sc2c(c1)CCC2)Br	PC-id_106879958	339.266	PUCYVXVJOWHVRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-090984
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1C(F)(F)F)C	MCULE-5421523308,STOCK6S-51326,EMOLS-id_17106736,PC-id_135635982	339.273	RPGBHHKMKXIKQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090985
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(c1)C(F)(F)F)C	PC-id_135635983,EMOLS-id_17107312,MCULE-9283360462,STOCK6S-51704	339.273	XSUJUIRRYYUULY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090986
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2	ZINC22_13722459,PC-id_135897692	339.273	RPGBHHKMKXIKQL-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090987
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2	ZINC22_13722461,PC-id_135897693	339.273	RPGBHHKMKXIKQL-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-090988
Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2	PC-id_135904001,ZINC22_13723450	339.273	XSUJUIRRYYUULY-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090989
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2	PC-id_135904002,ZINC22_13723453	339.273	XSUJUIRRYYUULY-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-090990
Clc1ccc(c(c1)C(c1sc2c(n1)CCC2)NC1CC1)Cl	PC-id_108390103	339.283	OZKVEXGWQZISOC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090991
Clc1cc(C(NC2CC2)c2sc3c(n2)CCC3)ccc1Cl	PC-id_61334295	339.283	PRHGYZCAPQTMRH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090992
Clc1cc(C(NC2CC2)c2sc3c(n2)CCC3)cc(Cl)c1	PC-id_61333902	339.283	XONHUKUQWNKJOW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090993
Clc1c(C(NC2CC2)c2sc3c(n2)CCC3)cccc1Cl	PC-id_61335083	339.283	MQQDNOIARPNJNP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090994
Clc1c(C(NC2CC2)c2sc3c(n2)CCC3)ccc(Cl)c1	PC-id_61335478	339.283	MDYYVCDCZKARTH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090995
Clc1c(C(NC2CC2)c2sc3c(n2)CCC3)c(Cl)ccc1	PC-id_61335855	339.283	NOQLYICWXAIJHI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-090996
c1(CNC(=O)c2ccccc2OC(F)(F)F)c2CCCc2nn1C	MCULE-6745405764,EMOLS-id_53884657,ZINC22_225818142,PC-id_91819394	339.312	YLNIQKWJMWCEQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090997
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cc2n(n1)CCO2	ZINC22_516220026	339.312	JTXFWKCFKSYYQY-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090998
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cc2n(n1)CCO2	ZINC22_516220027	339.312	JTXFWKCFKSYYQY-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-090999
CCc1ccc(cc1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740161	339.312	PLLMTGOZUSXNEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091000
CCc1nn2c(c1C(=O)O)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740198	339.312	GBKUFKJOLGRXOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091001
C[C@H](C(=O)N1Cc2n[nH]cc2[C@H]1CO)c1ccc(C(F)(F)F)cc1	ZINC22_1875313838	339.312	YUIWURUUXDYVQM-LKFCYVNXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091002
C[C@@H](C(=O)N1Cc2n[nH]cc2[C@@H]1CO)c1ccc(C(F)(F)F)cc1	ZINC22_1875313839	339.312	YUIWURUUXDYVQM-OTYXRUKQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091003
C[C@H](C(=O)N1Cc2n[nH]cc2[C@@H]1CO)c1ccc(C(F)(F)F)cc1	ZINC22_1875313840	339.312	YUIWURUUXDYVQM-XPTSAGLGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091004
C[C@@H](C(=O)N1Cc2n[nH]cc2[C@H]1CO)c1ccc(C(F)(F)F)cc1	ZINC22_1875313841	339.312	YUIWURUUXDYVQM-YMTOWFKASA-N	00000010100000110001000010000000000000000000000000000000	25-01-091005
C[C@@H](N1CCn2c1c(C(=O)O)c(n2)C)c1ccc(cc1)C(F)(F)F	SCHEMBL18740035	339.312	WRQJOSZFVXZWSC-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091006
CC(N1CCn2c1c(C(=O)O)c(n2)C)c1ccc(cc1)C(F)(F)F	SCHEMBL18740037	339.312	WRQJOSZFVXZWSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091007
Cn1nc2c(c1NC(=O)COc1ccc(C(F)(F)F)cc1)CCC2	ZINC22_58356642,MCULE-4883245776,EMOLS-id_33313551,PC-id_47777080	339.312	SEPPPFSGNVIFNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091008
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_316910243,ZINC22_566622107,MCULE-3144714402	339.312	HAVLXGHWDLSTAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091009
COc1cc(ccc1C(F)(F)F)C(=O)NCc1cnc2n1CCC2	MCULE-9759257873,EMOLS-id_319897561	339.312	LOYZKTWEOHIPAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091010
COc1cc(ccc1C(F)(F)F)C(=O)NCc1n[nH]c2c1CCC2	MCULE-6362967072,EMOLS-id_319908408	339.312	PKGMMIQCOFOTCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091011
COc1cc(ccc1C(=O)NCc1cnc2n1CCC2)C(F)(F)F	EMOLS-id_319722128	339.312	URONRGSKETUDSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091012
COc1cc(ccc1C(=O)NCc1n[nH]c2c1CCC2)C(F)(F)F	EMOLS-id_318916565	339.312	WEZFXCUBRKHIPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091013
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C	SCHEMBL18740115	339.312	NMVLNVZOGLQONP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091014
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C	SCHEMBL18740236	339.312	ADLLMNWCKWJKCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091015
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C	SCHEMBL18740289	339.312	NBEHXZXELWLCLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091016
Fc1c(C[C@@H](N)CC(=O)N2Cc3c(noc3C)C2)cc(F)c(F)c1	PC-id_56656202	339.312	LQCAJADFWMMWEP-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091017
Fc1c(CC(N)CC(=O)N2Cc3c(noc3C)C2)cc(F)c(F)c1	PC-id_76388661	339.312	LQCAJADFWMMWEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091018
OC(c1cccc(c1)C(F)(F)F)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111108698	339.312	OKTWWTUSLWLPMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091019
O=C(c1ccc(c(c1)C)OC(F)(F)F)NCc1cnc2n1CCC2	MCULE-3519722638,EMOLS-id_320300827	339.312	BIOGZQHLMJFRRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091020
O=C(c1n(C)nc2c1CCC2)Nc1cccc(c1)C(C(F)(F)F)O	EMOLS-id_318828628	339.312	UKGVBOYUPBGLFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091021
O=C(c1nn2c(c1)OCC2)NC(c1ccccc1C)CC(F)(F)F	MCULE-1713795298,EMOLS-id_316796128	339.312	JTXFWKCFKSYYQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091022
OCC(c1ccccc1C(F)(F)F)NC(=O)c1cnn2c1CCC2	EMOLS-id_316996029,MCULE-2127106351	339.312	UAHWBTIDEYAIDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091023
OCC(c1ccccc1C(F)(F)F)NC(=O)c1n[nH]c2c1CCC2	MCULE-3317744936,EMOLS-id_316995259	339.312	ZGVSZWFYUPALNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091024
O=C(C(c1ccc(cc1)C(F)(F)F)O)NCc1cnc2n1CCC2	EMOLS-id_319492492	339.312	VUCBDDIPDAYIPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091025
O=C(C(c1ccc(cc1)C(F)(F)F)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319680811	339.312	DSUKDTBRTFOPGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091026
O=C(C(c1cccc(c1)C(F)(F)F)O)NCc1n[nH]c2c1CCC2	EMOLS-id_320049527,MCULE-4800868967	339.312	FNASKRQSKCOUSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091027
O=C(Cc1ccc(OCC(F)(F)F)cc1)N=c1cc2n([nH]1)CCC2	MCULE-2718769774,ZINC22_1875274623,EMOLS-id_324066158,PC-id_146105910	339.312	OJPARZLYVFPYEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091028
O=C(N[C@H](CO)c1ccccc1C(F)(F)F)c1cnn2c1CCC2	ZINC22_886567800	339.312	UAHWBTIDEYAIDX-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091029
O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)c1cnn2c1CCC2	ZINC22_886567801	339.312	UAHWBTIDEYAIDX-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091030
O=C(N[C@H](CO)c1ccccc1C(F)(F)F)c1n[nH]c2c1CCC2	ZINC22_886561472	339.312	ZGVSZWFYUPALNP-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091031
O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)c1n[nH]c2c1CCC2	ZINC22_886561473	339.312	ZGVSZWFYUPALNP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091032
c1(CN2CC(C2)Oc2ccnc(c2)C(F)(F)F)nnc2CCCn12	EMOLS-id_320314280,ZINC22_1776008322,PC-id_139028622,MCULE-2082548150	339.316	CUYPDTHCAWYWTK-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-091033
c1(C(=O)NCCc2nc(C)cc(n2)C(F)(F)F)c2CCCc2[nH]n1	PC-id_77082262,ZINC22_215254294,EMOLS-id_49872896,MCULE-5303597899	339.316	FAJLQQIOXAVCOE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091034
Cc1ccc(N(C)C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nn1	MCULE-7824960674,ZINC22_1857532600,EMOLS-id_317729726,PC-id_154782649	339.316	CHEGURCALHAIJR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091035
Cc1cc(C)nc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_1875275746	339.316	FREPJGJXZGTZRT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091036
CCc1ncc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cn1	EMOLS-id_316298405,MCULE-9349693363,ZINC22_1615589543	339.316	DEQABWKNBVZSOI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091037
Fc1c(C[C@@H](N)CC(=O)N2Cc3c([nH]nc3N)C2)cc(F)c(F)c1	PC-id_56656131	339.316	QMWYADFIPRLKGI-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091038
Fc1c(CC(N)CC(=O)N2Cc3c([nH]nc3N)C2)cc(F)c(F)c1	PC-id_76388647	339.316	QMWYADFIPRLKGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091039
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NCc1cccc(n1)N	MCULE-1830726462,EMOLS-id_319871194	339.316	JYRBCPTUVPBTGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091040
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NC(c1ncccn1)C	EMOLS-id_318966076	339.316	CCLXRDBEEQGXFI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091041
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N[C@H]1CCn2cncc12	ZINC22_1775167662	339.316	SEYJMMSJNPIRAQ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-091042
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N[C@@H]1CCn2cncc12	ZINC22_1775167671	339.316	SEYJMMSJNPIRAQ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091043
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)C)C(F)(F)F	EMOLS-id_319076469	339.316	LNFCCHGYNZGMTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091044
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1C)C(F)(F)F	EMOLS-id_319392484	339.316	BLRLPQZYMLVAOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091045
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(ccc1C)C(F)(F)F	EMOLS-id_319456929	339.316	KTKSLGZXSDXRER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091046
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)CC(F)(F)F	EMOLS-id_319461495	339.316	HSSCOFJEGMINON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091047
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1CC(F)(F)F	EMOLS-id_319681071	339.316	OHKHFTUJMYVQAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091048
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)CC(F)(F)F	EMOLS-id_319742019	339.316	NVLMPPVVPMVZSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091049
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)C(F)(F)F)C	EMOLS-id_319125814	339.316	YHRQDKXGKDBLFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091050
O=C(N1Cc2c(C1)c(n(n2)C)N)NC(C(F)(F)F)c1ccccc1	EMOLS-id_319136377	339.316	XWHSLMZGHWUQAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091051
O=C(N1CC(C1)c1ncc[nH]1)Cn1nc(c2c1CCC2)C(F)(F)F	MCULE-2789820629,EMOLS-id_319890902	339.316	RIISNRMHVYTORI-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-091052
O=C(N1CCn2c1ncc2)Nc1cc(ccc1N(C)C)C(F)(F)F	EMOLS-id_319118219	339.316	NSNPAVGMUQMZRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091053
O=C(NC1CCn2c1cnc2)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_317049360,MCULE-6462816851	339.316	SEYJMMSJNPIRAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091054
O=C(NCCc1nnc2n1CCC2)Nc1ccccc1C(F)(F)F	MCULE-9123144209,ZINC22_72306212,PC-id_72113721,EMOLS-id_42915942	339.316	SUDBMNJTHQVNAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091055
n12ncnc1sc(=Cc1ccc(c3ccc(cc3)C(=O)O)o1)c2=O	MCULE-6295573498	339.325	AFVFNWCVFIMDLC-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-091056
O=C(O)c1ccc(c2ccc(/C=c/3sc4ncnn4c3=O)o2)cc1	EMOLS-id_45808200,ZINC22_10386576	339.325	AFVFNWCVFIMDLC-QPEQYQDCSA-N	00000000101000110001100010000000000000000000000000000000	25-01-091057
Cn1ncc2c1CN(C2)S(=O)(=O)C1CCOC(C1)C(F)(F)F	MCULE-3778733763,EMOLS-id_320007972	339.334	FDSYMPZOBDBTCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091058
FC(C1(CCOCC1)NS(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_100967866	339.334	SKFADGYCUGZRBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091059
OC1(CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C(F)(F)F	EMOLS-id_100241026	339.334	QSPOGZMERXVVGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091060
CC(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324908037	339.335	WBDPJXSJNHYVHV-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091061
CCCc1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324845793	339.335	GAFDZOSSNUKQGQ-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091062
CCCc1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324846305	339.335	DKMSQIHGXSQULH-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091063
CC(C)c1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324847850	339.335	NHLMXADAOWXWDD-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091064
CC(C)c1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324848362	339.335	SEDQYJCVNSPVME-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091065
n12c(=O)c(=Cc3ccc(cc3)C(C)C)sc1nc(C(F)(F)F)n2	MCULE-4414791422	339.335	WBDPJXSJNHYVHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091066
n12c(=O)c(=Cc3ccc(cc3)C(F)(F)F)sc1nc(C(C)C)n2	MCULE-3596338066	339.335	NHLMXADAOWXWDD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091067
n12c(=O)c(=Cc3ccccc3C(F)(F)F)sc1nc(C(C)C)n2	MCULE-4446240444	339.335	SEDQYJCVNSPVME-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091068
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCC	MCULE-7837518460	339.335	GAFDZOSSNUKQGQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091069
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCC	MCULE-8991071919	339.335	DKMSQIHGXSQULH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091070
CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cccc(F)c1)CC2	ZINC22_1776006289,EMOLS-id_320400252,MCULE-5854011275,PC-id_139018546	339.342	QSUCKYWBFPEPCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091071
CCOC(=O)c1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(cc1)F	SCHEMBL4947357,PC-id_69252083	339.342	GLFWJJDVJSSMSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091072
COC(=O)c1c(NS(=O)(=O)c2cccc(F)c2)nc2n1CCC2	MCULE-6823839182,ZINC22_1615549942,PC-id_136573723,EMOLS-id_317006382	339.342	JRRUUBQQDBYEAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091073
Fc1cccc(c1)CNC(=O)c1oc2c(n1)CN(C2)S(=O)(=O)C	PC-id_97525820	339.342	IAFMSOQFBUQUSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091074
Fc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1ccco1)/c2=O	ZINC22_5156233,EMOLS-id_206996588,STOCK4S-60396	339.344	SJMSMWLBLNWUBZ-OMPPTPSCSA-N	00000000101000110001000010000000000000000000000000000000	25-01-091075
n12nc(nc1sc(=Cc1ccco1)c2=O)C=Cc1ccc(cc1)F	EMOLS-id_26345321,MCULE-9264785679	339.344	SJMSMWLBLNWUBZ-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-091076
O=c1/c(=Cc2ccco2)/sc2nc(/C=C/c3ccc(F)cc3)nn12	ZINC22_6883763	339.344	SJMSMWLBLNWUBZ-HNTZWPLZSA-N	00000000101000110001000010000000000000000000000000000000	25-01-091077
c12CN(Cc1cnn2CCO)C(=O)c1ccc(Oc2ccccc2)o1	EMOLS-id_36569255,PC-id_56740598,MCULE-5760825116,ZINC22_67541383	339.345	USWKUTNMQUCWIJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-091078
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)Cc1cccc(c1)F	PC-id_68440487,SCHEMBL2917995	339.345	VAXCGCXOJZNLKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091079
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)Cc1ccc(cc1)F	PC-id_68442548,SCHEMBL2923763	339.345	WNZPLYWPPUNVBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091080
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)Cc1ccccc1F	SCHEMBL2917890,PC-id_68440454	339.345	RCGALMIHAHNYQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091081
O(N1C(=O)CCC1=O)C(=O)c1nn(c2CCCc12)Cc1ccccc1	PC-id_58713638	339.345	FJZJQDJDAKXPPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091082
C1CS(=O)(=O)c2nc(cn12)C=C1C2N(C1=O)C(=CS2)C(=O)O	PC-id_88107834	339.347	LUCSDXCTESPPII-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-091083
S1CCn2c1nc(c2)CNc1nnc(c2c(OC)cccc2)cc1	PC-id_56877379	339.415	SUHMOGTZXOWTOG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091309
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CCCN1CCN(CC1)C(=O)O	PC-id_91265478	339.347	AEYPUTYQKQPJAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091084
O=C1/C(=C/c2cn3c(n2)S(=O)(=O)CC3)/[C@@H]2N1C(=CS2)C(=O)O	PC-id_70015265,SCHEMBL7183618	339.347	LUCSDXCTESPPII-WXGCRTCVSA-N	00001011100000000001001010000000000000000000000000000000	25-01-091085
O=C1C(=Cc2cn3c(n2)S(=O)(=O)CC3)[C@@H]2N1C(=CS2)C(=O)O	SCHEMBL7183624,PC-id_57255571	339.347	LUCSDXCTESPPII-SNVBAGLBSA-N	00001011100000000001001010000000000000000000000000000000	25-01-091086
O=C(Cn1nc(oc1=O)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319099264	339.349	ISCADDAZKHNFTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091087
O=C(N1Cc2c(C1)c(n[nH]2)NC(=O)C1CC1)NC(=O)c1ccccc1	SCHEMBL2916715,PC-id_68440035	339.349	MDCJGKWCWOYXFD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091088
C#CCNC(=O)C1CCc2nnc(n12)CNC(=O)Nc1cnccc1	PC-id_134788484	339.352	VHSTUWYXYRQLFY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091089
CCn1ncc(c1)Oc1ncc(nc1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319202517	339.352	OAVMMPPDSJMODF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091090
CCn1ncc(c1)Oc1ncc(nc1)C(=O)NC1CCn2c1cnc2	EMOLS-id_319516539	339.352	PTIMQGDMSDYYJX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091091
COc1ccc(cc1n1cnnn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319396698	339.352	OGYGSLFYFDTSRD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091092
O=C(c1nc(C)c(nc1N)c1ncco1)NCc1n[nH]c2c1CCC2	PC-id_121351298,SCHEMBL17768925	339.352	KNSFIUJRCIXUMY-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-091093
O=C(NCc1n2CCCc2nn1)C1=NCC(=O)N(N1)c1ccccc1	PC-id_39296702	339.352	DCGVLGPVNSLIIN-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-091094
Cc1ccc(n2cnnn2)cc1NC(=O)NCc1nnc2n1CCC2	MCULE-3795121791,ZINC22_65553937,EMOLS-id_35712500,PC-id_53514475	339.355	LCZGUPYGPXSUTJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091095
CC(c1nn2c(c1)CCC2)NCc1ccccc1OCC(F)(F)F	EMOLS-id_318053028	339.355	MIKUNPGTQFROID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091096
OC(C(F)(F)F)CN(Cc1nn2c(c1)CCC2)Cc1ccccc1	EMOLS-id_318227816	339.355	HSQVOKGQUONGOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091097
O=C(NCc1n2CCCc2nn1)Nc1cc(n2nnnc2)c(cc1)C	PC-id_52200626	339.355	OHUYLJGIEXLGNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091098
CCOC(=O)C(=O)c1c2C[C@H](Cn2c(c1C)C(=O)OC(C)(C)C)F	SCHEMBL19920688,PC-id_134302970	339.359	FKWILHWEMXNACC-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091099
FC(c1cnc([nH]1)C1CCN(CC1)Cc1nn2c(c1)CCC2)(F)F	EMOLS-id_318622693	339.359	JSGGYRCISKJXBE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-091100
FC(F)Oc1cc(C[NH2+]C(c2n3CCCc3nn2)C)ccc1OC	PC-id_75889719	339.36	IGEKFUAPRKXXGP-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-091101
FC(F)Oc1cc(C[NH2+][C@H](c2n3CCCc3nn2)C)ccc1OC	PC-id_52640827	339.36	IGEKFUAPRKXXGP-JTQLQIEISA-O	00000010100000110001000010000000000000000000000000000000	25-01-091102
FC(F)Oc1cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)ccc1OC	PC-id_52640829	339.36	IGEKFUAPRKXXGP-SNVBAGLBSA-O	00000010100000110001000010000000000000000000000000000000	25-01-091103
N#CC1CC(CN1C(=O)CNC(=O)c1sc2c(c1)CCC2)(F)F	EMOLS-id_319650368	339.36	XDLWPCICCREGGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091104
COC(=O)/C=C(/C(=O)OC)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_102383181	339.364	JTUOOZRPGOTPBF-CLFYSBASSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091105
CSc1c(F)cc(cc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319789467	339.364	JGVPIOWYYRQCRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091106
FC(Sc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319403483	339.364	KJAFBVVUAADIAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091107
FC(Sc1ccccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319610323	339.364	YDKYELZGQRUJDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091108
FC(Sc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319675274	339.364	WLBNVTUFLVTXCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091109
S(c1c(NC(=O)NCc2n3CCCc3nn2)cccc1)C(F)F	PC-id_52192288	339.364	WCCWNUBDUROKHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091110
Cn1c(C(=O)NCc2nnc3n2CCC3)ccc1c1ccc(F)cc1	EMOLS-id_36293172,PC-id_53564332,ZINC22_71185491,MCULE-3016465162	339.367	VQEAJQWDNZHTIC-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-091111
Cn1ncc(c1)c1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_318820820	339.367	IXRDJIDVLUMLNU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091112
Fc1ccc(c(c1)C)n1ccc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319155345	339.367	IFLZYGCZOWYARJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091113
Fc1ccc(c(c1)C)n1ccc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319403207	339.367	OLENALBDVXARNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091114
Fc1ccc(cc1)n1cc(c(n1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319872189,MCULE-1953129873	339.367	PDNBRFZFKVZNFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091115
Fc1ccc(cc1)n1cc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319099798	339.367	KZDIMWGFPFGHPI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091116
Fc1ccc(cc1)n1ncc(c1C)C(=O)NCc1cnc2n1CCC2	MCULE-6075421411,EMOLS-id_320009804	339.367	VAWYPXTUTCVTLY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091117
Fc1cccc(c1)Oc1ccc(cn1)CNC1CC(n2c1ncn2)C	EMOLS-id_319531970	339.367	KRNBBYXHLYQBFO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-091118
O=C(c1cnn(c1C)c1ccccc1F)NCc1cnc2n1CCC2	MCULE-6034200735,EMOLS-id_320299033	339.367	KFJJSHBQGQPEFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091119
O=C(c1cnn(c1C)c1ccccc1F)NCc1n[nH]c2c1CCC2	EMOLS-id_318875029	339.367	GIULVSLSSDEXHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091120
O=C(Cc1ccn(n1)c1ccc(cc1)F)NCc1cnc2n1CCC2	EMOLS-id_319236278	339.367	NFDDMEYGPVQDOJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091121
O=C(NCCc1nnc2n1CCC2)c1ccc(n2cccc2)c(F)c1	MCULE-5804676607,EMOLS-id_36676553,PC-id_53617063,ZINC22_69918401	339.367	PIZBFMYRKVLXDX-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-091122
s1c2c(CCC2)c(c1NC(=O)C)C(=O)NC(CC(=O)N)C(=O)O	PC-id_82033585	339.367	ZKMMUQBJZGYUGP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091123
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-8674237071,PC-id_675851	339.368	KXUHUQWLILOAEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091124
CCOC(=O)c1c(c2=C(C(=C(c3ccccc3)[O-])N=c2s1)[N+]#N)C	SCHEMBL10826874,PC-id_88674980	339.368	WVTVNUIYSRXEPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091125
N#Cc1c(NC(=O)/C=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_139098	339.368	KXUHUQWLILOAEE-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091126
N#Cc1c(NC(=O)C=Cc2ccccc2[N+](=O)[O-])sc2c1CCC2	MCULE-6952823761,EMOLS-id_300702112,PC-id_71904477	339.368	QGZODHAJCGNKNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091127
N#Cc1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2c1CCC2	SPECS-id_AN-153/I123283,EMOLS-id_1281124,CoCoCo_139097,BAS-00836261,PC-id_5391134,SPECS-id_AT-084/J158675,ZINC22_38722	339.368	KXUHUQWLILOAEE-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091128
N#Cc1c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])sc2c1CCC2	ZINC22_69610851,PC-id_75361977	339.368	QGZODHAJCGNKNL-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091129
O=C(c1sc2c(c1)C(=Cc1[nH]ccc1)C(=O)N2)NCc1ccco1	SCHEMBL7149044,PC-id_59043157	339.368	ZEERSPUYCJWPFP-UHFFFAOYSA-N	00000010111000000000000010000000000000000000000000000000	25-01-091130
O=N(=O)c1ccc(C=CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-8113125967,PC-id_5086227	339.368	HNXLRXYTHZMFSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091131
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327962447,PC-id_6266343	339.368	HNXLRXYTHZMFSQ-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091132
CCOC(=O)c1cnn2c1N(S(=O)(=O)c1c(C)cnn1C)CC2	MCULE-5643246720,EMOLS-id_317025588,ZINC22_1615615192	339.37	VIRZUSXGKNCGAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091133
CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cn(C)nc1C)CC2	MCULE-6268433807,ZINC22_1615615549,EMOLS-id_317025332	339.37	YQDBDFVSSVOXNX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091134
O=c1n(C)cc(c(=O)n1C)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98898968	339.37	OUERTOJFENRVDC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091135
S(=O)(=O)(NC)c1oc(C(=O)NCCc2n3CCCc3nn2)cc1	PC-id_60557210	339.37	ILMWBWXJJYKMQB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091136
O=C(c1ccccn1)N1Cc2c(C1)[nH]nc2NC(=O)c1cccs1	PC-id_11461906,SCHEMBL13382923	339.372	NJZREYWKLHGBEY-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-091137
CC(c1cccc(c1)C(F)(F)F)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_27353463,MCULE-1482833627,PC-id_16285467	339.375	IQQWTIFLZGTJPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091138
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(C(F)(F)F)c1	CoCoCo_3276359,PC-id_9115952,ZINC22_7986914	339.375	IQQWTIFLZGTJPP-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091139
C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(C(F)(F)F)c1	PC-id_9115951,CoCoCo_3276358,ZINC22_7986913	339.375	IQQWTIFLZGTJPP-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-091140
CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCC2	MCULE-6587940539,PC-id_71898860,EMOLS-id_44523722,ZINC22_83865539	339.375	QIGBDHDMPMFYGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091141
O=C(NCCc1ccccc1C(F)(F)F)c1cc2c(s1)CCC2	EMOLS-id_44545530,PC-id_71887523,MCULE-4425162471,ZINC22_64782642	339.375	CBXGZSXXCIEGQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091142
O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)CCC2	PC-id_2571707,ZINC22_3451457,CoCoCo_3186289,MCULE-4837412351,EMOLS-id_43803291	339.375	QOSFPYIHOLOHEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091143
CCCCc1cc2n(c1C(=O)c1ccccc1OC)CC=C2C(=O)O	PC-id_70619309,SCHEMBL11603607	339.385	GRCVCDMIWXBBCW-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-091144
COc1ccc(F)cc1S(=O)(=O)NCc1c2CCCc2nn1C	PC-id_91819420,MCULE-6142395746,EMOLS-id_53884709,ZINC22_225818964	339.385	GSJBSOHSHCVWRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091145
COC(c1ccc(cc1)F)CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318199744	339.385	UYPMWVDZJCXYIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091146
Fc1ccc(cc1)c1ccc(s1)C(=O)NN=C1CCn2c1ccc2	PC-id_71899679,EMOLS-id_44522150,MCULE-7551633591	339.387	ZFWHIIKUFYGDFJ-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-091147
s1c(C(=O)N/N=C/CCn3c2ccc3)ccc1c1ccc(F)cc1	PC-id_75362259	339.387	ZFWHIIKUFYGDFJ-ZHZULCJRSA-N	00000010100100110000100010000000000000000000000000000000	25-01-091148
c12CN(Cc1nn(CC1CCC1)c2C=O)C(=O)OCc1ccccc1	MCULE-1422346942,EMOLS-id_324346217	339.388	LWVSRJOKYIGZKK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-091149
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1cccc(c1)C(=O)O	PC-id_72929646,EMOLS-id_46646146,MCULE-9813905761	339.388	JCANOEJWROPQOH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091150
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(c2ccc(cc2)C(=O)O)C1	EMOLS-id_46634668,PC-id_72907085,MCULE-3514123890	339.388	GBWGICWNTKEWLF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091151
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](C(=O)O)C1)c1ccccc1C	ZINC22_91876530,EMOLS-id_44737388,MCULE-4857376317,PC-id_70768843	339.388	SLYZSGRQCUHLKL-LSDHHAIUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091152
C1Cc2c(C1)[nH]nc2C(=O)N1CCOCC1CC(=O)c1ccccc1	PC-id_86779026,MCULE-7930429767,EMOLS-id_49912343	339.388	LPDJZXOAKXRHLB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091153
Cc1ccccc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C(=O)O	ZINC22_216859118	339.388	SLYZSGRQCUHLKL-CABCVRRESA-N	00000010100000110001100010000000000000000000000000000000	25-01-091154
CC(NC(=O)OCc1ccccc1)c1ncc2C(CC=C)C(=O)Cn12	EMOLS-id_324749383	339.388	UFMSQNDTFWBXSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091155
CCOC(=O)c1c2c(/C(=C/c3ccccc3)/CC2)n(NC(=O)N)c1C	CoCoCo_3745054,ZINC22_5592833,MCULE-8029622606,PC-id_6117359,EMOLS-id_45772029	339.388	PWFMICIGDWTHGT-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091156
CCOC(=O)c1c2c(C(=Cc3ccccc3)CC2)n(NC(=O)N)c1C	PC-id_16237754,EMOLS-id_30183529,MCULE-8863449248	339.388	PWFMICIGDWTHGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091157
CCOC(=O)c1c2CC/C(=C/c3ccccc3)/c2n(c1C)NC(=O)N	CoCoCo_3745053	339.388	PWFMICIGDWTHGT-KAMYIIQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091158
CC(=O)O/N=C
/C(CN(c2ccc(cc2)C)C(=O)C)Cn2c1ccc2	TIMTEC52117,TIMTEC13661,PC-id_9629045	339.388	CASMHSJDSGVEJN-VXPUYCOJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091159
CC(=O)O/N=C/1[C@H](CN(c2ccc(cc2)C)C(=O)C)Cn2c1ccc2	CoCoCo_6950715,PC-id_6544167	339.388	CASMHSJDSGVEJN-QBNCKDSPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091160
CC(=O)O/N=C/1[C@@H](CN(c2ccc(cc2)C)C(=O)C)Cn2c1ccc2	CoCoCo_6950716,PC-id_5411608	339.388	CASMHSJDSGVEJN-ZBBYCGENSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091161
CC(=O)O/N=C
/[C@@H](CN(c2ccc(cc2)C)C(=O)C)Cn2c1ccc2	CoCoCo_6950717,PC-id_9563464	339.388	CASMHSJDSGVEJN-DVSFIDLUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091162
CC(=O)O/N=C
/[C@H](CN(c2ccc(cc2)C)C(=O)C)Cn2c1ccc2	PC-id_9696049,CoCoCo_6950714	339.388	CASMHSJDSGVEJN-JVMRMLDLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091163
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1C#N	MCULE-6566975512,EMOLS-id_331003322	339.388	ROEDXMRMNFMJGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091164
O=C1CC(CN1Cc1ccccc1)COC(=O)c1n[nH]c2c1CCC2	MCULE-3420915017,PC-id_71869344,EMOLS-id_43655368	339.388	PKBSFZZFEWPMAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091165
O=C(c1ccc(O)cc1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	EMOLS-id_316886339,PC-id_136577274,ZINC22_120809558,MCULE-8082274773	339.388	OWKVVIFHZAKDGS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091166
O=C(c1cnc2n1CCC2)N1CCC(CC1)c1ccccc1C(=O)O	EMOLS-id_318170895,MCULE-9218211712	339.388	MFUYQHCSATYVQI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091167
O=C(c1cnn2c1CCC2)N1CCC(CC1)c1ccccc1C(=O)O	EMOLS-id_318313791,MCULE-6473145484	339.388	MADAPNJLJUXRKP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091168
O=C(c1n[nH]c2c1CCC2)Nc1ccc2c(c1)OC1(O2)CCCCC1	EMOLS-id_98171984	339.388	PRNJQAZSIWVKEA-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-091169
O=C(C[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1	PC-id_97855669,ZINC22_97227749	339.388	LPDJZXOAKXRHLB-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091170
O=C(C[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_97227747,PC-id_97855668	339.388	LPDJZXOAKXRHLB-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091171
O=C(O)c1ccccc1C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	EMOLS-id_316396828,ZINC22_682188494,MCULE-6964300100	339.388	NXODWCKIUSPZIS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091172
O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3[nH]nc4c3CCC4)C2)c1	ZINC22_95387976,PC-id_97208114	339.388	JCANOEJWROPQOH-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091173
O=C(O)c1cccc([C@H]2CCCN(C(=O)c3[nH]nc4c3CCC4)C2)c1	ZINC22_95387977,PC-id_97208115	339.388	JCANOEJWROPQOH-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091174
O=C(O)c1ccc([C@H]2CCCN(C(=O)c3[nH]nc4c3CCC4)C2)cc1	PC-id_97202813,ZINC22_95379317	339.388	GBWGICWNTKEWLF-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091175
O=C(O)c1ccc([C@@H]2CCCN(C(=O)c3[nH]nc4c3CCC4)C2)cc1	ZINC22_95379316,PC-id_97202812	339.388	GBWGICWNTKEWLF-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091176
OC(=O)C1C(CN(C1)C(=O)c1n[nH]c2c1CCC2)c1c(cccc1)C	PC-id_78086128	339.388	SLYZSGRQCUHLKL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091177
O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1n[nH]c2c1CCC2	PC-id_96519661,ZINC22_78948896	339.388	PKBSFZZFEWPMAC-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091178
O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1n[nH]c2c1CCC2	ZINC22_78948902,PC-id_96519662	339.388	PKBSFZZFEWPMAC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091179
O=C(O)[C@@H]1CN(C(=O)[C@H]2CCc3nccn23)C[C@H]1Cc1ccccc1	ZINC22_2325788715	339.388	ZERKDYSKMGTKAY-BZUAXINKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091180
O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCc3nccn23)C[C@H]1Cc1ccccc1	ZINC22_2325788716	339.388	ZERKDYSKMGTKAY-OAGGEKHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091181
O(N=C1C(Cn2c1ccc2)CN(c1ccc(cc1)C)C(=O)C)C(=O)C	PC-id_3638209	339.388	CASMHSJDSGVEJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091182
C1c2cc(nn2CS1)CC1C(=CN=C(CS1)C(=O)O)C(=O)O	PC-id_91152756	339.39	AABRHWZGRYTBSB-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-091183
C1C(=NC=C(C(S1)Cc1cn2CSCc2n1)C(=O)O)C(=O)O	PC-id_91111162	339.39	ZUBOHBOGZUXEGV-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-091184
c12CN(Cc1n(nc2)CCO)Cc1nccn1c1ccc(cc1)OC	ZINC22_216364307,MCULE-4492020734,EMOLS-id_49897039,PC-id_77096172	339.392	PQXFUPYWWGDSSY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091185
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1ccc(nc1)C	MCULE-6625223700,EMOLS-id_207863001	339.392	NBRZKWOXOYUVJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091186
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1ccnc(C)c1	EMOLS-id_207863222,MCULE-1296969790	339.392	FTQITUDXEJRZKJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091187
c1(c2ccccc2OCCC)nnc(NCc2c3CCCc3[nH]n2)o1	MCULE-8548759788,EMOLS-id_317516914,PC-id_137334182,ZINC22_1772700797	339.392	FBGDAQGLLPXCAN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091188
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)C1(C)CC1	MCULE-2960951448,EMOLS-id_316253173	339.392	HUTBEJBBIAHSQN-ZDUSSCGKSA-N	00100010100000101001000010000000000000000000000000000000	25-01-091189
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c2c(nn1C)CCC2	ZINC22_75123533,MCULE-5057318246,PC-id_47777447,EMOLS-id_42957806	339.392	OZKUERCVWABOOX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091190
Cc1onc(c1)n1c(C)cc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319497370	339.392	RBCQNPIUSKIWKQ-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-091191
C=CC(=O)NCc1ccc(cc1)C(=O)NC(c1nnc2n1CCC2)C	MCULE-4446492511,PC-id_145889984	339.392	YOGCUUQBTIBLAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091192
C=CC(=O)NCc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc1	ZINC22_490546234	339.392	YOGCUUQBTIBLAS-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091193
C=CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc1	ZINC22_490546239	339.392	YOGCUUQBTIBLAS-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091194
C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1nnc2n1CCC2	PC-id_95153265,ZINC22_65565521	339.392	WTALCDJDXACBES-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091195
C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1nnc2n1CCC2	PC-id_95153266,ZINC22_65565522	339.392	WTALCDJDXACBES-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091196
CC(=O)NC(=Cc1ccccc1)C(=O)N(Cc1nnc2n1CCC2)C	MCULE-9865283091,PC-id_53500537,EMOLS-id_35706588	339.392	MXJGREZAQZGFDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091197
CC(=O)N/C(=Cc1ccccc1)/C(=O)N(Cc1nnc2n1CCC2)C	PC-id_97455129	339.392	MXJGREZAQZGFDA-PTNGSMBKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091198
CC(=O)N/C(=C/c1ccccc1)/C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_65399581	339.392	MXJGREZAQZGFDA-RVDMUPIBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091199
CN1C(=O)C[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1cccnc1	EMOLS-id_316019844,MCULE-9797850361,ZINC22_886036513	339.392	HDCFQIFKKYTMCR-SJCJKPOMSA-N	00000010100000101001100010000000000000000000000000000000	25-01-091200
CN1C(=O)C[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1ccncc1	MCULE-8994256979,EMOLS-id_316022925,ZINC22_886052886	339.392	LIAHYZHNLAICFG-SJCJKPOMSA-N	00000010100000101001100010000000000000000000000000000000	25-01-091201
Cn1nc2c(c1NC(=O)c1cccc(NC(=O)NC3CC3)c1)CCC2	EMOLS-id_44503848,ZINC22_65893928,MCULE-7510836691,PC-id_71936266	339.392	DDTBUMIOPRQTQK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091202
CN(Cc1nnc2n1CCC2)C(=O)c1cccc(N2CCCC2=O)c1	ZINC22_65399432,PC-id_53500337,EMOLS-id_35706554,MCULE-2149351786	339.392	IBNRHUCJTPYGED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091203
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(N2CCCC2=O)cc1	ZINC22_12922579,MCULE-7553382298,PC-id_17518825,EMOLS-id_31866666	339.392	NCKYLWXJIDQWPO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091204
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	PC-id_94181775,ZINC22_48340722	339.392	OLKYIXLHMPDQCS-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091205
CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC22_48340724,PC-id_94181776	339.392	OLKYIXLHMPDQCS-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091206
O=C1CCCCN1Cc1cccc(c1)NC(=O)N1CCn2c1ncc2	MCULE-7947794060,EMOLS-id_318672745	339.392	BTOJNOLJTWLDLQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091207
O=C1C[C@H](C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)CCN1	ZINC22_190067564	339.392	GCVCYTZFLIJANQ-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091208
O=C1C[C@@H](C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)CCN1	ZINC22_190067585	339.392	GCVCYTZFLIJANQ-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091209
O=C1N(CCC1)c1ccc(C(=O)NCCc2n3CCCc3nn2)cc1	PC-id_53514324	339.392	QTZZHZXFEQXFMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091210
O=C1N(CCC1)c1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1	MCULE-4555018763,EMOLS-id_35706332,PC-id_53515523	339.392	WTALCDJDXACBES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091211
O=C1NCCC(C1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-5551512239,EMOLS-id_189700603	339.392	GCVCYTZFLIJANQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091212
O=C1NCCN(C1c1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581008	339.392	CLJQBSRILGHWBT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091213
O=C(C1CCCC1)Nc1n[nH]c2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2924325,PC-id_68442780	339.392	PNNOTJVNWWXBLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091214
O=C(c1ccccc1)N1CCCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319895277,MCULE-5590951213	339.392	DRJWNNKOWBRCBM-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-091215
O=C(c1ccccc1)NC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319403684	339.392	PLHIJOBDKPYEKK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091216
O=C(C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)Nc1ccccn1	EMOLS-id_48219332,MCULE-8012301451,PC-id_75404636	339.392	CMROFSGGZCQQCJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091217
O=C(C1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)Nc1ccccc1	EMOLS-id_319192409	339.392	YXIYIKXRRDQIJU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091218
O=C(C1NCc2c1c[nH]n2)NCc1cccc(c1)CN1CCCC1=O	EMOLS-id_319075343	339.392	WEHWYIQEPVBBKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091219
O=C(C1NCc2c1c[nH]n2)NCc1ccc(cc1)CN1CCCC1=O	EMOLS-id_319232440	339.392	LLDVGZRFNVTHGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091220
O(C(CC)C(=O)Nc1nn2c(nnc2C)c1=C)c1c(cc(cc1)C)C	PC-id_60065408	339.392	ZSNMBUANLUNKKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091221
O=C(N1CCCC(C1)C(=O)N1CCn2c1ncc2)Nc1ccccc1	EMOLS-id_316587200	339.392	KPNQGUKEYWOUPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091222
O=C(Nc1cccc(c1)C(=O)NCc1cnc2n1CCC2)NC1CC1	EMOLS-id_319432330	339.392	XNPBIKOQOAYHGJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091223
O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97194168,ZINC22_95365049	339.392	CMROFSGGZCQQCJ-GFCCVEGCSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091224
O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97194169,ZINC22_95365050	339.392	CMROFSGGZCQQCJ-LBPRGKRZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091225
O=C(N(Cc1n2CCCc2nn1)C)C1CN(C(=O)C1)c1ccccc1	EMOLS-id_35706626,MCULE-3236906247,PC-id_53498592	339.392	OLKYIXLHMPDQCS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091226
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cn1cccn1	PC-id_92109471	339.392	JYGNVYJPVKWFFM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091227
O=C(NCc1nnc2n1CCC2)c1ccc(CN2CCCC2=O)cc1	MCULE-6278768697,EMOLS-id_31878274,PC-id_45806076,ZINC22_40489872,CoCoCo_4651276	339.392	KDXNOFPLYOFXJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091228
O=C(NCc1nnc2n1CCC2)N1CC=C(c2ccc(O)cc2)CC1	MCULE-8789638576,CoCoCo_4574131,EMOLS-id_31871631,ZINC22_40487717,PC-id_45803870	339.392	AQBJNVSDRUFRIT-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-091229
C1c2c(CN1S(=O)(=O)N)[nH]nc2NC(=O)C=Cc1cccs1	SCHEMBL2922454,SCHEMBL2922458,PC-id_87455769	339.393	HJPHBBNICGURBL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091230
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)/C=Cc1cccs1	SCHEMBL2922452	339.393	HJPHBBNICGURBL-ARJAWSKDSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091231
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)/C=Cc1cscc1	SCHEMBL2919812	339.393	LMLZXUAZWBOXKW-UPHRSURJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091232
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)N)C=Cc1cscc1	PC-id_68441073,SCHEMBL2919815	339.393	LMLZXUAZWBOXKW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091233
Cc1cnn(c1)c1n(C)nc(c1C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-5343664802,EMOLS-id_319923936	339.395	JKMKYFCYIFOVPX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-091234
Cc1nn(C)c(C)c1c1cc(C(=O)Nc2c3c(nn2C)CCC3)[nH]n1	ZINC22_299296545,EMOLS-id_313153364,MCULE-6584543572	339.395	NRUJBSNGZIKPSO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-091235
CC(C)Cc1noc(c2ccc(NCc3nnc4n3CCC4)nc2)n1	ZINC22_72474516,PC-id_70772108,EMOLS-id_43162420,MCULE-2507281337	339.395	UBADTQYAORMIGZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-091236
FC(c1coc(n1)N1CCC(CC1)Cc1sc2c(n1)CCC2)F	MCULE-9928560559,EMOLS-id_319960385	339.403	KLACAKDEVVALFK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-091237
c12CCCc1c(C(=O)OCC)c(NC(=O)CCCC(=O)OC)s2	EMOLS-id_25508180,PC-id_46094672,MCULE-3089041660	339.407	WTZDLLKVZXHGLP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091238
c12CCCc1c(C(=O)OCC)c(NC(=O)CCC(=O)OCC)s2	EMOLS-id_25509176,PC-id_46094777,MCULE-7524298204	339.407	RXQAFIIMNDWHLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091239
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(C)(C)C)C(=O)OC	MCULE-2244659014,EMOLS-id_1327943,PC-id_3129653,CHEMBL1525975,ChEMBL-DNDi_CHEMBL1525975,BAS-01293165	339.407	YMPUJZJKXKWHEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091240
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCC)C(=O)OC	MCULE-2386736741,PC-id_19171411	339.407	QVVLAIHUJMELKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091241
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CC(C)C)C(=O)OC	PC-id_19204190,MCULE-2160358709	339.407	FUWFXRHMRPPDQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091242
c1(NC(=O)CC(C)CC(=O)O)sc2c(CCC2)c1C(=O)OCC	TIMTEC492226,EMOLS-id_4019055,PC-id_17378801,MCULE-3568606429	339.407	UYTVNZKDGVRHNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091243
c1(NC(=O)CCCC(=O)O)sc2c(CCC2)c1C(=O)OCCC	EMOLS-id_4019049,ZINC22_5952052,MCULE-7456845135,TIMTEC120389,CoCoCo_6834733,PC-id_17378802	339.407	DFXAVKMYRGNKHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091244
C(C)(C(=O)OCC)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8533965954,EMOLS-id_328233887	339.407	VFZRPYPECOJFEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091245
CCOC(=O)c1c(NC(=O)C(C)C(C)C(=O)O)sc2CCCc12	EMOLS-id_328256103,MCULE-3822965991	339.407	OCXWYFRXRBJHIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091246
CCOC(=O)c1c(NC(=O)CCCCC(=O)O)sc2CCCc12	MCULE-4781141619,EMOLS-id_328066270	339.407	DFAXKMOGTDDLEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091247
CCOC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc2c1CCC2	CoCoCo_6826729,PC-id_27518368,ZINC22_17071107	339.407	UYTVNZKDGVRHNK-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-091248
CCOC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)O)sc2c1CCC2	CoCoCo_6826730,PC-id_27518366,ZINC22_17071106	339.407	UYTVNZKDGVRHNK-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091249
CCOC(=O)c1c(NC(=O)COC(=O)C(C)C)sc2c1CCC2	EMOLS-id_33328951,MCULE-6980695033,ZINC22_5712390,PC-id_7782291	339.407	IXHODVREDPGILD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091250
COC(=O)c1c(NC(=O)CC(C)(C)CC(=O)O)sc2c1CCC2	PC-id_27154233,MCULE-6762000070,ZINC22_16478589,EMOLS-id_30238901	339.407	MFVSQEJKEMXLOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091251
COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1[C@@H](C(=O)OC)CC2	PC-id_7116104,ZINC22_4158965,CoCoCo_187629	339.407	YMPUJZJKXKWHEM-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091252
COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1[C@H](C(=O)OC)CC2	ZINC22_4158966,CoCoCo_187630,PC-id_7116103	339.407	YMPUJZJKXKWHEM-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091253
s1c2CCCc2cc1C(=O)OCC(=O)NCCCC(=O)OCC	PC-id_16505613	339.407	ATJBQEGSVXCHCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091254
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC)C(=O)OCC	PC-id_5218204	339.407	UDSRKFDKBYKOBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091255
c1(NC(=O)C#Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-4277807911,ZINC22_227450,STOCK1S-69707,SPECS-id_AE-848/37018045,CoCoCo_880088,EMOLS-id_2190312,PC-id_759983	339.408	OQSRTEAJPLICRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091256
Cc1oc(c2ccccc2)nc1COC(=O)c1cc2c(s1)CCC2	PC-id_16588490,ZINC22_12240099,EMOLS-id_31867996,MCULE-9614549838	339.408	UDZZLQHWMMIDJH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091257
s1c2c(CCC2)c(c1NS(=O)(=O)CS(=O)(=O)C)C(=O)O	PC-id_82839701	339.408	DGKRQAVKMVWVFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091258
S1(=O)(=O)C(=Cc2c1sc(S(=O)(=O)N)c2)COCCOC	PC-id_10593178	339.408	JBZXMYJRXQWPKO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-091259
c1(NC(=O)C(=O)NCCCN(C)C)sc2c(CCC2)c1C(=O)O	MCULE-2222440284,ZINC22_6759002,STOCK6S-14576,PC-id_8071011,EMOLS-id_4746434	339.41	AOHFDUNBUKSFBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091260
c1(NC(=O)C(=O)NCCN(C)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4742897,STOCK6S-12202,ZINC22_6755530,MCULE-8632723966,PC-id_8069788	339.41	LAQLUYQSEFNHCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091261
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N1CCN(CC1)CCO	PC-id_8056904,STOCK6S-10337,ZINC22_6719585,EMOLS-id_4740136,MCULE-1263653484	339.41	SGZSFLMXHVOGKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091262
CCOC(=O)c1c(NC(=O)C(N)CCC(=O)N)sc2CCCc12	MCULE-2939263084,EMOLS-id_328025568	339.41	AJICXRJDMKZXHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091263
CO/N=C
/C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c2ccsc12	CoCoCo_5749128,ZINC22_5714128,PC-id_92281775	339.41	CNAYTPAPGSFYRW-NRKMXEHJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091264
CO/N=C/1C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c2ccsc12	CoCoCo_5749129,PC-id_92275213,ZINC22_5822593	339.41	CNAYTPAPGSFYRW-DWTJURIWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091265
CO/N=C/1C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c2ccsc12	NSC681953,PC-id_92275207,CoCoCo_5749127,ZINC22_5714110	339.41	CNAYTPAPGSFYRW-NFDWGTCTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091266
CO/N=C
/C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c2ccsc12	PC-id_92275208,ZINC22_5714108,CoCoCo_5749130	339.41	CNAYTPAPGSFYRW-WENGMCCWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091267
O=C1CCCC1C1COCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100209379	339.41	XGMSSGRXJBJUOO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-091268
O=C([C@H]1C[C@H](C1(C)C)C(=O)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110405192	339.41	LVHHHIVMXXLDKO-WDEREUQCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-091269
s1c2c(CCC2)c(c1NC(=O)CN(C)C)C(=O)NCCC(=O)O	PC-id_39182709	339.41	VKCDPRSWAAAXPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091270
s1c2c(CCC2)c(c1NC(=O)CNCC(=O)NC)C(=O)OCC	PC-id_8771912	339.41	BDMFRGDTJUAEQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091271
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)CC2=NOC)cc1	PC-id_387820	339.41	CNAYTPAPGSFYRW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091272
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)C/C/2=N/OC)cc1	PC-id_5469029	339.41	CNAYTPAPGSFYRW-WQRHYEAKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091273
c12SCCn1cc(CNC(=O)c1ccc(cc1)c1ccc(C)o1)n2	MCULE-2286160847,ZINC22_825197747,EMOLS-id_232876873	339.411	BOWXOSZTXNAVSH-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-091274
c1(NC(=O)Cc2ccc(cc2)NC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_182628283,PC-id_108804781,MCULE-6969498788	339.411	HAALQQIIULNHIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091275
c1(NC(=O)CCc2oc(cn2)c2ccccc2)sc2c(CCC2)n1	PC-id_33040992,EMOLS-id_323239605,MCULE-8655559366	339.411	ZGLWYBWVGHTVER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091276
Cc1oc(c2ccccc2)nc1CC(=O)Nc1nc2c(s1)CCC2	MCULE-1847537346,PC-id_33041067,EMOLS-id_33342364,ZINC22_25769360	339.411	ACOALFPGUSQPEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091277
CN(C)C(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328180445,MCULE-6223732160	339.411	DGAQWPZCLTZHOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091278
COc1c(sc2c1CCC2)C(=O)Nc1ccc(cc1)c1cnc[nH]1	PC-id_91956526	339.411	JREFBSGASMVSEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091279
O=C(c1oc2c(n1)CN(C2)Cc1ccccc1)NCc1cccs1	PC-id_97410646	339.411	YYMDCWDHGXVNEL-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-091280
O=C(NCCc1nnc(c2ccccc2)o1)c1cc2c(s1)CCC2	PC-id_71848881,ZINC22_84569178,MCULE-8991369360,EMOLS-id_44589450	339.411	XMCSHEDUHZHOOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091281
O=S(=O)(N(c1cn2c(n1)CCC2)c1ccccc1)c1ccccc1	SCHEMBL17767607,PC-id_121350124	339.411	JIRHPTVFNAYSPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091282
C1c2c([nH]c(c2C(S1)CCCCC(=O)NCCC[N-][N+]#N)O)O	PC-id_90854772	339.413	PKTUBIXLPZGUKE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091283
CCN(CC)Cc1nc2CN(Cc2o1)S(=O)(=O)c1cn(C)cn1	ZINC22_96260261,EMOLS-id_44372080,PC-id_97520336	339.413	QJAXXACYAUCPNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091284
COCCn1nc(c(c1C)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100970860	339.413	LAZBEGXSYFFUHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091285
c12SCCn1cc(CNc1cc(C)nc(c3ccccc3O)n1)n2	MCULE-2331534884,ZINC22_1529173560,PC-id_137313997,EMOLS-id_316182262	339.415	LWFNINKGPNNEGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091286
c12SCCn1cc(CNC(=O)c1cccc(c1)Cn1cccn1)n2	EMOLS-id_32412090,PC-id_50971370,ZINC22_65433867,MCULE-1858932518	339.415	WUUJOCDCUQBVHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091287
c12SCCn1cc(CNC(=O)Cn1ccnc1c1ccccc1)n2	MCULE-1734363672,EMOLS-id_46645690,ZINC22_95387653,PC-id_72928761	339.415	UJDNXNBWRTXFFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091288
c1(cnnn1c1ccccc1)C(=O)NCCc1sc2c(CCC2)n1	PC-id_50954530,MCULE-1501510119,EMOLS-id_32380286,ZINC22_65382570	339.415	AUNGNFBZSPZGTM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091289
c1(C(=O)Nc2nnc(CCc3ccccc3)s2)c2CCCc2[nH]n1	MCULE-1624194305,EMOLS-id_323257520	339.415	FFTVHKFPEVFLMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091290
c1(N(C)C)ncc(cn1)C=CC(=O)Nc1sc2CCCc2c1C#N	MCULE-2560023122	339.415	ZXELGMZUSKIJKJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091291
c1(NC(=O)c2ccccc2c2nccn2C)n(C)nc2CSCc12	MCULE-8175701822,ZINC22_1506431470,EMOLS-id_316224360	339.415	LKVOLJRAWQXLPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091292
c1(NC(=O)c2cc(n(C)n2)c2ccccc2)n(C)nc2CSCc12	ZINC22_1529089943,EMOLS-id_316194717,MCULE-4558670312,PC-id_134695627	339.415	DDDWAPLUYLLRMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091293
c1(NC(=O)c2cnn(Cc3ccccc3)c2)n(C)nc2CSCc12	ZINC22_1506421654,MCULE-8518875425,EMOLS-id_316234840	339.415	KQVITWPWKUKZBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091294
Cc1ccc(c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1	ZINC22_22191804,EMOLS-id_31371067,PC-id_30094401,MCULE-5268690528	339.415	SGCSHPPGHGPYCX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091295
CC1(C)CCc2sc(NC(=O)c3ccnn3c3ccncc3)nc12	ZINC22_2325811902	339.415	FCSSRYRRDWEKFD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-091296
Cc1csc(Nc2cccc(NC(=O)c3cnn4c3CCC4)c2)n1	MCULE-2040302027,EMOLS-id_324074808,ZINC22_1635474416,PC-id_145903255	339.415	USOSWHXMUFBBTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091297
Cc1nc(c2ccccc2)sc1C(=O)NCc1nnc2n1CCC2	PC-id_45802300,EMOLS-id_29696109,CoCoCo_4474384,ZINC22_40480506,MCULE-3235254660	339.415	SKJOODBWZAYBML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091298
Cc1ncsc1C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1	EMOLS-id_53797731,MCULE-2786929877,ZINC22_190057679,PC-id_99829802	339.415	PHBSRDTVUPVFJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091299
CCc1c(C(=O)Nc2nc3c(s2)CCC3)cnn1c1ccccn1	EMOLS-id_32172619,ZINC22_58342473,PC-id_51108438,MCULE-2704300634	339.415	VZGQZVVXNBYAEP-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-091300
CN(C)c1ncc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cn1	EMOLS-id_328128474	339.415	ZXELGMZUSKIJKJ-VOTSOKGWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091301
n1c2CCCc2sc1CCNC(=O)c1ccc(cc1)n1cnnc1	MCULE-1304223921,PC-id_50951964,ZINC22_65374819,EMOLS-id_32375400	339.415	IFPIMZABEWQUEE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091302
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1nnc(N)s1	EMOLS-id_328224634,MCULE-1433736681	339.415	HGTLIFLSRRTJTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091303
O=C(c1n[nH]c(c1)c1ccncc1)NCCc1sc2c(n1)CCC2	EMOLS-id_319886719,MCULE-3747795640	339.415	QYLZLKUNTXDWRU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-091304
O=C(Cc1csc(n1)c1ccccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319749525	339.415	UGEFUSAVBKECLP-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-091305
O=C(Cc1csc(n1)c1cccnc1)NCc1cnc2n1CCC2	EMOLS-id_319737993	339.415	BNUMRNVHSAEDTH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-091306
O=C(NCc1nnc2n1CCC2)Nc1cccc(c2cccs2)c1	ZINC22_69508458,EMOLS-id_36307482,MCULE-5117966553,PC-id_53572464	339.415	FNHNJYSKAQNOLX-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-091307
CCc1cc2n(c1C(=O)c1ccc(cc1)C)CCC2C(=O)OC(C)C	PC-id_20351650,SCHEMBL11605058	339.428	OBPDADPWEWFCBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091310
CCc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)OC(C)C	PC-id_20351595,SCHEMBL11607927	339.428	RIYCPKJQBVNKIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091311
CCCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OC(C)C	SCHEMBL11599902,PC-id_20351637	339.428	JSMBRUSHKGSVAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091312
CCCc1ccccc1C(=O)c1ccc2n1CCC2C(=O)OC(C)C	SCHEMBL11601882,PC-id_20351644	339.428	ZABALWCFIPGHJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091313
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C)CCC2C(=O)OC	PC-id_20405052,SCHEMBL11004828	339.428	NQANIXZTGLCQIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091314
CCCCCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccccc1	SCHEMBL7676758,PC-id_54287377	339.428	RVBZWMYUCOHILY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091315
CCCCCCOC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_102304604	339.428	BSYPSUAXAMSZNG-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091316
CCCCCOC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)C	SCHEMBL11606347,PC-id_20351635	339.428	AAGXJVQEZNXFBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091317
CC(CCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C)C	PC-id_20528114,SCHEMBL9382213	339.428	RHBNHSFOTDRNQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091318
CC(CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)C)C	SCHEMBL11605105,PC-id_20351570	339.428	CJUBGLRYIYGFIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091319
OC1CCCN(C1CCc1ccccc1)C(=O)c1occ2c1CCC2	EMOLS-id_319706839	339.428	VSKKUWQVIGGDRE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-091320
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCCCCC	PC-id_11631465	339.428	BSYPSUAXAMSZNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091321
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCOCC1)C(=O)OC	PC-id_3601350	339.43	CWECPCAIBYRBMG-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-091322
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)OCC	PC-id_4142488	339.43	WGMDFHURHWSAFG-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-091323
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1	EMOLS-id_316166370,ZINC22_1529162122,MCULE-3970311289,PC-id_134706178	339.431	WLKYSKGKOBSPOL-MSOLQXFVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091324
c1(CN(C2CCCC2)C(=O)C=Cc2ccco2)c2CCCc2n(C)n1	PC-id_86266564,MCULE-8664521231	339.431	YNRPGQWDSNANJF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091325
Cc1c2n(CCO2)nc1C(=O)NCC1(CCCCC1)c1ccccc1	PC-id_91959933	339.431	QHYZYLSZHKKNLN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091326
Cc1ccc(cc1)C1OCCCC1CNC(=O)c1cnc2n1CCC2	EMOLS-id_318309479	339.431	LIVQSGJXBMRNMK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091327
CC(C)COc1ccc(C2(C(=O)N3Cc4c[nH]nc4C3)CCC2)cc1	ZINC22_615130291,MCULE-2516997349,PC-id_146107659,EMOLS-id_324035697	339.431	FZAHWHQBMJCLPH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-091328
Cn1nc2c(c1NC(=O)CC(C)(C)CC(=O)c1ccccc1)CCC2	MCULE-3447028764,PC-id_121525675,EMOLS-id_73047837,ZINC22_252481845	339.431	CTQIGJGHXZSSIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091329
Cn1nc(CN(C2CCCC2)C(=O)/C=C/c2ccco2)c2CCCc12	EMOLS-id_50145300	339.431	YNRPGQWDSNANJF-VAWYXSNFSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091330
CN(C1CC(C1(C)C)Oc1ccccc1)C(=O)c1cnn2c1CCC2	EMOLS-id_317989194	339.431	NBBZGHGNFAQRAT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-091331
COc1cccc(c1)C1(CCCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319808044	339.431	BMEDMCUZJRUPMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091332
COc1ccc(cc1)C1(CCCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319088937	339.431	JFZLXWOAJHASHS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091333
COc1ccc(cc1)C1CCCCCN1C(=O)c1cnc2n1CCC2	EMOLS-id_318201068	339.431	HOSVBORINVQTHE-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-091334
COc1ccc(cc1)C1CCCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98347991	339.431	LHGDZXVCXRAELB-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-091335
COc1cc(ccc1C)C1(CCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319567524	339.431	ARHXCFOADOTZLV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-091336
COc1cc(ccc1C)C1(CCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319048303	339.431	DBOBBQPTQXDPDQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-091337
COc1ccccc1CC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-5060141125,EMOLS-id_48997780,PC-id_84583530	339.431	KTCGMDLADYCFII-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091338
COc1ccccc1C[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97184800,ZINC22_95348557	339.431	KTCGMDLADYCFII-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091339
COc1ccccc1C[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97184801,ZINC22_95348558	339.431	KTCGMDLADYCFII-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091340
COC1CC(CCC1NC(=O)c1nn2c(c1)CCC2)c1ccccc1	MCULE-6529111280,EMOLS-id_316160545	339.431	LDNUIQVJHRZWCZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091341
CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1cc2n(n1)CCC2	ZINC22_572473626	339.431	LDNUIQVJHRZWCZ-HHXXYDBFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091342
CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1cc2n(n1)CCC2	ZINC22_572473627	339.431	LDNUIQVJHRZWCZ-KVSKMBFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091343
CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1cc2n(n1)CCC2	ZINC22_572473628	339.431	LDNUIQVJHRZWCZ-SZVBFZGTSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091344
CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1cc2n(n1)CCC2	ZINC22_572473629	339.431	LDNUIQVJHRZWCZ-VDZJLULYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091345
OC1CCCN(C1CCc1ccccc1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319484432	339.431	PVEMTWPXQYSNDB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091346
OC1CCCN(C1CCc1ccccc1)C(=O)c1cnn2c1CCC2	EMOLS-id_319957234,MCULE-7682151081	339.431	WFJFZAAPJNWBBJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091347
O=C(c1ccccc1OC1CCCCC1)NCc1cnc2n1CCC2	MCULE-8238120615,EMOLS-id_320034855	339.431	IKOGEYVTYRKDCN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091348
O=C(C1(CCOCC1)Cc1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_318163543	339.431	NKTXXDJVQXNHAJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091349
O=C(C1(CCOCC1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319629540	339.431	FNZMTOVLMGJUML-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091350
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)OCCc1ccccc1	EMOLS-id_98812165	339.431	PYRUYPAFCPZYRP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091351
O=C(c1n[nH]c2c1CCC2)Nc1cccc(c1)COC1CCCCC1	EMOLS-id_98500044	339.431	PDKMYESMJXSXPH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091352
O=C(c1n[nH]c2c1CCC2)N(Cc1ccccc1)CC1CCOCC1	EMOLS-id_318148332	339.431	HPPMBWDJMNGWHM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091353
O=C(c1n[nH]c2c1CCC2)N(CC1(O)CCCC1)Cc1ccccc1	PC-id_112298601,EMOLS-id_100202991	339.431	GDKCDXRCZNNDHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091354
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CCC=CC1	PC-id_92109478	339.431	UIWMWSWLGJVQMK-UHFFFAOYSA-N	00000010101011000001000010000000000000000000000000000000	25-01-091355
c1(NC(=O)C2CCCN2S(=O)(=O)C)sc2c(CCC2)c1C#N	PC-id_49698320,EMOLS-id_43484023,MCULE-7046138758	339.433	YPKDLPSFCLNQPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091356
c1(NC(=O)c2cccs2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_425785,CoCoCo_4982155,PC-id_3617400,MCULE-9054722769,EMOLS-id_5438313	339.433	GDVMMPACXKUSLT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091357
c1(NC(=O)CS(=O)C(CC)C(=O)N)sc2c(CCC2)c1C#N	EMOLS-id_320679277,MCULE-9688908282	339.433	MMOAYVLJQUZGRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091358
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCCC(=O)N	MCULE-5186908561,EMOLS-id_186654893	339.433	MUDSWTGGFCTMHZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091359
COc1ccc(cc1)S(=O)(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_318406716,PC-id_7640533	339.433	WWUIYSCBLSZDLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091360
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_93987678,ZINC22_44356986	339.433	YPKDLPSFCLNQPA-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091361
CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_44356990,PC-id_93987679	339.433	YPKDLPSFCLNQPA-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-091362
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)c1c(C)nn(c1C)C	EMOLS-id_111942133	339.433	SDECBBSYKCCLFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091363
O=C(C(=S)N1CCOCC1)Nc1sc2c(c1C(=O)N)CCC2	MCULE-5275061573,PC-id_17388959	339.433	UPSGGGBXHJNSNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091364
O=S(=O)(c1cccs1)N1Cc2nc(CN3CCCC3)oc2C1	PC-id_97520341,ZINC22_96260266,CHEMBL3552507,EMOLS-id_44372090	339.433	SVDRITIGTSHZHT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091365
s1c2CCCc2cc1C(=O)NNC(=O)CCN1CCSC1=O	PC-id_51250903	339.433	GWOSTDOIFRULDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091366
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N(C)C)C)C(=O)N	PC-id_8712204	339.433	LEKLJCPIAKKSRG-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-091367
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCC[NH+](C)C)C(=O)N	PC-id_8069797	339.433	HDJAXKBFLAHNQI-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-091368
s1c2c(CCC2)c(c1NC(=O)NCC[NH+]1CCOCC1)C(=O)N	PC-id_8034913	339.433	BHKRMGVXCAMJLH-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-091369
c1(C(=O)Nc2ccc(cc2)CN2CCN(C)CC2)c2CCCc2[nH]n1	EMOLS-id_335127123,MCULE-7733883418	339.435	WGJALRUQDXDJTK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091370
c1(C(=O)Nc2ccc(cc2)N2CCN(CC2)C)c2CCCc2n(C)n1	MCULE-8215884842,PC-id_110389123,EMOLS-id_179745433	339.435	WHBCWEQWVRNQAQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091371
Cc1ccc(c(c1)C1CCCN1C(=O)NCc1nnc2n1CCC2)C	EMOLS-id_318451211	339.435	SVBAXEWSMHHQCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091372
Cc1ccc(cc1)C1CCCN1C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318627668	339.435	DQQQXNBFPPDJQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091373
Cc1cccc(c1)C1CCCN1C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318756184	339.435	RWLOJJAXSHKQQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091374
Cc1ccccc1C1(CNC(=O)NCCc2nnc3n2CCC3)CC1	MCULE-4857511760,PC-id_75378334,ZINC22_86390973,EMOLS-id_48254493	339.435	MUOWDQGYGVMNSN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-091375
Cc1ccccc1C1(CNC(=O)N[C@@H](C)c2nnc3n2CCC3)CC1	PC-id_97072705,ZINC22_89689208	339.435	ZSLXXKRDYGGWSA-AWEZNQCLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-091376
Cc1ccccc1C1(CNC(=O)N[C@H](C)c2nnc3n2CCC3)CC1	ZINC22_89689209,PC-id_97072706	339.435	ZSLXXKRDYGGWSA-CQSZACIVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-091377
Cc1ccccc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324831995	339.435	QIMMAEVGQQZTKE-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091378
Cc1ccccc1[C@@H](NC(=O)NCCc1nnc2n1CCC2)C1CC1	PC-id_97048702,ZINC22_86397479	339.435	IDRBHCOYENTAHC-SFHVURJKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091379
Cc1ccccc1[C@H](NC(=O)NCCc1nnc2n1CCC2)C1CC1	ZINC22_86397478,PC-id_97048701	339.435	IDRBHCOYENTAHC-GOSISDBHSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091380
Cc1ccccc1CN1CCCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319604742	339.435	DNBGMVBJSZFLIT-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-091381
Cc1cccc(c1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101434197	339.435	SUFROAXVSNUFBW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091382
Cc1cccc(C2(NC(=O)NCc3nnc4n3CCC4)CCCC2)c1	ZINC22_69586044,EMOLS-id_36334088,PC-id_53583667,MCULE-9159181259	339.435	NCBUBVXJHIJSQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091383
Cc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324829434	339.435	VFSDLLASEWXHPI-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091384
Cc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324830971	339.435	XDGCZWJCLUVHPL-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091385
CC1CCCCN1c1ncc(cc1C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99074243	339.435	CIKRVAMPHHJFIK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-091386
CC1CCCN(C1)c1nccc(c1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101551352	339.435	BRXFPQHACGJULZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-091387
CC1CCCN(C1)c1nccc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-7559235044,EMOLS-id_320306042	339.435	KXSSDYYICLSQJN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-091388
CC1CCCN(C1)c1nccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320030334,MCULE-8585167224	339.435	PZJMSQBQBQIWEP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-091389
Cc1ccc(nc1)N[C@@H]1CCC[C@@H](C1)C(=O)NC1CCn2c1cnc2	EMOLS-id_318893525	339.435	REWSIBMLCDYXLM-QMRHZFGWSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091390
Cc1ccc(nc1)N[C@@H]1CCC[C@@H](C1)C(=O)NC1CCn2c1ncc2	EMOLS-id_318806608	339.435	QEDOCYGIWRZUGH-QMRHZFGWSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091391
CC1CCN(CC1)c1ccc(cn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318889287	339.435	OBYFCRPRADAZJD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-091392
CC1CCN(CCN1Cc1ccccc1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319205496	339.435	QYVOFVZNIQBPAY-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-091393
Cc1ccsc1/C=c/1sc2nnc(Cc3ccccc3)n2c1=O	ZINC22_13547528	339.435	LQTZEHDHCMRQOE-UVTDQMKNSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091394
CC1CN(C(C1)c1ccccc1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318558220	339.435	FPENHRWBEYKYET-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091395
Cc1cnc(cn1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109961	339.435	BOTROALKUWKFIX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091396
C[C@@H]1C[C@@H]1[C@H](NC(=O)NCCc1nnc2n1CCC2)c1ccccc1	PC-id_97048725,ZINC22_86399624	339.435	GZKYBOSHWOQFTJ-QIIPPGSGSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091397
C[C@@H]1C[C@H]1[C@H](NC(=O)NCCc1nnc2n1CCC2)c1ccccc1	PC-id_97048727,ZINC22_86399627	339.435	GZKYBOSHWOQFTJ-DDUZABMNSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091398
C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCCc1nnc2n1CCC2)c1ccccc1	ZINC22_221850657,PC-id_100075423	339.435	GZKYBOSHWOQFTJ-XUWXXGDYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091399
C[C@@H]1C[C@H]1[C@@H](NC(=O)NCCc1nnc2n1CCC2)c1ccccc1	ZINC22_221850722,PC-id_100075426	339.435	GZKYBOSHWOQFTJ-SIIHOXLZSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091400
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1nnc2n1CCC2	ZINC22_96402834,PC-id_97557187	339.435	OJGNDBLQXOZPDG-AWEZNQCLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091401
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1nnc2n1CCC2	ZINC22_96402835,PC-id_97557188	339.435	OJGNDBLQXOZPDG-CQSZACIVSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091402
CC(=O)N1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	MCULE-6230294726,EMOLS-id_318339594	339.435	GWNKKTVGNJSBEY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091403
CC(=O)N1CCN(CC1)c1cccc(c1)NCc1cnc2n1CCC2	MCULE-3052196804,EMOLS-id_318135786	339.435	HIBSGASICQBHQV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091404
CN1CCC(CC1)N(C(=O)c1n[nH]c2c1CCC2)Cc1ccncc1	ASN-20321006	339.435	NAROLDGGGPFVOY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091405
CN1C[C@H]([C@@H](C1)c1ccccc1)CNC(=O)NC1CCn2c1ncc2	MCULE-9685406798,EMOLS-id_316285069	339.435	ZGYBPMDPUZDXRS-GARXDOFDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091406
CN1C[C@H]([C@@H](C1)c1ccccc1)CNC(=O)NC1Cn2c(C1)cnc2	PC-id_145882040,MCULE-5608023263,EMOLS-id_316962022	339.435	HGKMILCTDULLAW-AGPBCMBSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091407
CN1C[C@@H](CNC(=O)N[C@@H]2Cc3cncn3C2)[C@H](c2ccccc2)C1	ZINC22_897591732	339.435	HGKMILCTDULLAW-NUJGCVRESA-N	00000010100000110001100010000000000000000000000000000000	25-01-091408
CN1C[C@@H](CNC(=O)N[C@H]2Cc3cncn3C2)[C@H](c2ccccc2)C1	ZINC22_897591733	339.435	HGKMILCTDULLAW-RYRKJORJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091409
CN1C[C@@H](CNC(=O)N[C@H]2CCn3ccnc23)[C@H](c2ccccc2)C1	ZINC22_895078860	339.435	ZGYBPMDPUZDXRS-IKGGRYGDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091410
CN1C[C@@H](CNC(=O)N[C@@H]2CCn3ccnc23)[C@H](c2ccccc2)C1	ZINC22_895078861	339.435	ZGYBPMDPUZDXRS-IXDOHACOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091411
CN1CCN(CC1)c1ccc(c(c1)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98317149	339.435	JIYFNAUHTZJJCA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091412
CN1CCN(C(C1)c1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581137,MCULE-5855255920	339.435	NLJUEWKHRJRSFK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091413
CN1CCN(CC1)Cc1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98466038	339.435	VNCRGKGKVDYMDA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091414
CN1CCN(CC1)C(=O)c1nn(c2c1CN(C2)Cc1ccccc1)C	PC-id_97462020	339.435	FLPUXHRLORNIPX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091415
s1c2c(CCC2)c(c1NC(=O)CSc1sccc1)C(=O)O	PC-id_43359882	339.453	RERMPALFVXVOEE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-091500
CN1CCN([C@H](C(=O)N[C@@H]2CCn3cncc23)c2ccccc2)CC1	ZINC22_857983501	339.435	BALWSNWFASNNRG-AEFFLSMTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091416
CN1CCN([C@@H](C(=O)N[C@H]2CCn3cncc23)c2ccccc2)CC1	ZINC22_857983502	339.435	BALWSNWFASNNRG-FUHWJXTLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091417
CN1CCN([C@@H](C(=O)N[C@@H]2CCn3cncc23)c2ccccc2)CC1	ZINC22_857983503	339.435	BALWSNWFASNNRG-SJLPKXTDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091418
CN1CCN([C@H](C(=O)N[C@H]2CCn3cncc23)c2ccccc2)CC1	ZINC22_857983504	339.435	BALWSNWFASNNRG-WMZOPIPTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091419
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)Nc1ccccc1)C2	EMOLS-id_46182043,ZINC22_96084517,PC-id_97405343	339.435	JYFCMXBSNAMKFA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091420
CN(Cc1cccnc1)CC1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316055789,MCULE-1501669252	339.435	PBNCODCSWDMKCP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091421
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_275993963	339.435	PBNCODCSWDMKCP-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091422
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_275993967	339.435	PBNCODCSWDMKCP-OAHLLOKOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091423
CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CCCN1Cc1ccccc1	PC-id_94821071,ZINC22_58377900	339.435	BRZWXGZTMSAWFL-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091424
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCCN1Cc1ccccc1	ZINC22_58377899,PC-id_94821070	339.435	BRZWXGZTMSAWFL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091425
CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1n[nH]c2c1CCC2	MCULE-4823841432,EMOLS-id_112033520,ZINC22_328625056	339.435	KJBCVXVDCWJQJC-KSSFIOAISA-N	00000010100000101001100010000000000000000000000000000000	25-01-091426
n12CCCc1nnc2CNC(=O)CN1CCCC(c2ccccc2)C1	PC-id_72879505,MCULE-4155906395,EMOLS-id_46620674	339.435	MQCIZYTYCKMYAT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091427
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)Cc1cccs1	MCULE-2681733082	339.435	VFSDLLASEWXHPI-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091428
n12nc(nc1sc(=Cc1ccccc1C)c2=O)Cc1cccs1	MCULE-3408511831	339.435	QIMMAEVGQQZTKE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091429
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)Cc1cccs1	MCULE-8616118456	339.435	XDGCZWJCLUVHPL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091430
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCc1ccccc1	MCULE-3487785640	339.435	UQGOXTAWGLMAJC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091431
Nc1ncc(c(c1)C)C1CCN(CC1)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319833875	339.435	LMRNQWHUFDDJKI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-091432
O=c1n2nc(CCc3ccccc3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324837630	339.435	UQGOXTAWGLMAJC-UVTDQMKNSA-N	00000000100100110001000010000000000000000000000000000000	25-01-091433
O=C1N(CCN2CCN(CC2)Cc2ccccc2)Cc2n1c(C)nc2	PC-id_23138248,SCHEMBL3448274	339.435	DGCJXOMXFXKDIO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091434
O=C(C1CCCC1)Nc1cccc(c1)CNC1CC(n2c1ncn2)C	EMOLS-id_319625379	339.435	YIJKFCQLSCMFAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091435
O=C(c1ccc(cc1)CNC1CC(n2c1ncn2)C)N1CCCCC1	EMOLS-id_319717246	339.435	ZUNBVGURZGQXNF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091436
O=C(C1CCCCN1Cc1cccnc1)NCc1cnc2n1CCC2	EMOLS-id_319979981,MCULE-4116200887	339.435	PEZRFDAFGOUKHE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091437
O=C(C1CCCN1Cc1ccccc1)N(Cc1nnc2n1CCC2)C	MCULE-1525553978,PC-id_51098565,EMOLS-id_33317587	339.435	BRZWXGZTMSAWFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091438
O=C(C1CCCN(C1)Cc1cccnc1)NCc1cnc2n1CCC2	EMOLS-id_319105300	339.435	FGSHDSNANSUQCP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091439
O=C(C1CCN(CC1)c1ccc(cn1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318883566	339.435	WCAUHDVDUMFLQM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-091440
O=C(c1cnc2n1CCC2)N(C1CCNCCC1)Cc1ccccn1	MCULE-5234144093,EMOLS-id_318113044	339.435	CTKIKSJAAQTDOG-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-091441
O=C(c1cnn2c1CCC2)N(C1CCNCCC1)Cc1ccccn1	MCULE-7510386178,EMOLS-id_318148710	339.435	IDVWFSNYTXMOTD-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-091442
O=C(C1NCc2c1c[nH]n2)N1CCN(C(C1)(C)C)Cc1ccccc1	EMOLS-id_318904160	339.435	WVIPBFQQKYARJD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091443
O=C(C1NCc2c1c[nH]n2)NC1CCN(CC1)C(c1ccccc1)C	EMOLS-id_319337066	339.435	ADGCFOFVNPUGTP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091444
O=C(C1NCc2c1c[nH]n2)NC1CCN(CC1)Cc1ccccc1C	EMOLS-id_320195183,MCULE-6680471430	339.435	SBIAAXKUAFZHSW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091445
O=C(C1NCc2c1c[nH]n2)NC1CCN(CC1)CCc1ccccc1	EMOLS-id_320299665,MCULE-2766591966	339.435	KBPFNQYGDHDPRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091446
O=C(C1NCc2c1c[nH]n2)NCc1ccc(cc1)CN1CCCCC1	EMOLS-id_319488154	339.435	AUDHACQNXIEFCD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091447
O=C(C1NCCCC1c1ccccc1)N(Cc1nnc2n1CCC2)C	EMOLS-id_319627836	339.435	ARJOILIRXACJLM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091448
O=C(c1n(C)nc2c1CCC2)N(C1CCNCC1)Cc1ccccn1	EMOLS-id_320245612,MCULE-9292425945	339.435	HKXMMAHBYSUEMB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091449
O=C(c1n[nH]c2c1CCC2)N(Cc1ccccn1)[C@H]1CCCNCC1	ZINC22_275555725	339.435	FKFOCQBEACOUNY-HNNXBMFYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-091450
O=C(c1n[nH]c2c1CCC2)N(Cc1ccccn1)[C@@H]1CCCNCC1	ZINC22_275555730	339.435	FKFOCQBEACOUNY-OAHLLOKOSA-N	00000010100000101101000010000000000000000000000000000000	25-01-091451
O=C([C@@H]1CC[C@@H](CC1)Nc1ccccn1)NC1CC(n2c1ncc2)C	EMOLS-id_319513881	339.435	IUFSFFUWBOYBTC-IRHLINNNSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091452
O=C([C@@H]1CC[C@@H](CC1)Nc1ccccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319253164	339.435	FOIVEWVBKCZAAC-OKILXGFUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091453
O=C(CN1CCC[C@H](c2ccccc2)C1)NCc1nnc2n1CCC2	PC-id_97196245,ZINC22_95368439	339.435	MQCIZYTYCKMYAT-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091454
O=C(CN1CCC[C@@H](c2ccccc2)C1)NCc1nnc2n1CCC2	ZINC22_95368438,PC-id_97196244	339.435	MQCIZYTYCKMYAT-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091455
O=C(N1C(CCCC1)Cc1ccccc1)NCc1n2CCCc2nn1	PC-id_53595683,MCULE-6520036101	339.435	GTNBHZVIDJEXJU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091456
O=C(N1CCC(CC1)Cc1cccnc1)NC1CC(n2c1ncc2)C	EMOLS-id_101420316	339.435	SBEDPMGSUIBCEE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-091457
O=C(N1CCC(CCC1)c1ccccc1)NCc1n2CCCc2nn1	MCULE-7906579540,PC-id_53586500,EMOLS-id_36324134	339.435	ABXHAHGEWUHQJZ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-091458
O=C(N1CCCCCC1c1ccncc1)NC1CC(n2c1ncc2)C	EMOLS-id_101581080	339.435	OMXBBBFLHBCCTL-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-091459
O=C(N1CCCN(CC1)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101435199	339.435	UFCLSEDKGVYFCJ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-091460
O=C(N1CCN(CC1)c1ccccc1C)NC1CC(n2c1ncc2)C	EMOLS-id_101434179	339.435	JQELZPPFBGNICO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091461
O=C(NCC1(CC1)c1c(cccc1)C)NC(c1n2CCCc2nn1)C	PC-id_71932218,MCULE-1582867728,EMOLS-id_45648316	339.435	ZSLXXKRDYGGWSA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-091462
O=C(NC(C1CC1)c1c(cccc1)C)NCCc1n2CCCc2nn1	PC-id_75378343,EMOLS-id_48254513,MCULE-1318460198	339.435	IDRBHCOYENTAHC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091463
O=C(NC(C1C(C1)C)c1ccccc1)NCCc1n2CCCc2nn1	MCULE-6913095484,PC-id_75425440,EMOLS-id_48254531	339.435	GZKYBOSHWOQFTJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091464
O=C(N(C(C1CC1)C)Cc1ccccc1)NCc1n2CCCc2nn1	EMOLS-id_48996272,MCULE-2195304379,PC-id_72024957	339.435	OJGNDBLQXOZPDG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091465
O=C(NC(C1CCC1)c1ccccc1)NCCc1n2CCCc2nn1	PC-id_75378337,MCULE-5572026562,EMOLS-id_48254501	339.435	IOZYMDLRNWPNRO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-091466
O=C(NCc1nnc2n1CCC2)N1CCCC[C@@H]1Cc1ccccc1	PC-id_95317094,ZINC22_69699695	339.435	GTNBHZVIDJEXJU-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091467
O=C(NCc1nnc2n1CCC2)N1CCCC[C@H]1Cc1ccccc1	ZINC22_69699693,PC-id_95317093	339.435	GTNBHZVIDJEXJU-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091468
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H](c2ccccc2)CC1	PC-id_95186681,ZINC22_67358883	339.435	ABXHAHGEWUHQJZ-MRXNPFEDSA-N	00000010100000110101100010000000000000000000000000000000	25-01-091469
O=C(NCc1nnc2n1CCC2)N1CCC[C@H](c2ccccc2)CC1	PC-id_95186682,ZINC22_67358884	339.435	ABXHAHGEWUHQJZ-INIZCTEOSA-N	00000010100000110101100010000000000000000000000000000000	25-01-091470
O=C(NCc1nnc2n1CCC2)NC1(c2ccccc2)CCCCC1	ZINC22_73998844,MCULE-4417704469,PC-id_72014520	339.435	ZMLFSVMPYNOXOV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091471
O=C(NCCc1nnc2n1CCC2)NC1(c2ccccc2)CCCC1	MCULE-3728619185,EMOLS-id_48254523,ZINC22_95409947,PC-id_75378346	339.435	LKMMXTHQFKWWJB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091472
O=C(NCCc1nnc2n1CCC2)N[C@H](c1ccccc1)C1CCC1	PC-id_97048664,ZINC22_86393193	339.435	IOZYMDLRNWPNRO-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-091473
O=C(NCCc1nnc2n1CCC2)N[C@@H](c1ccccc1)C1CCC1	ZINC22_86393191,PC-id_97048663	339.435	IOZYMDLRNWPNRO-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-091474
c1(C(=O)OCC)c2CCCc2sc1NCSc1nncn1N	PC-id_71700348,MCULE-5753749432,ZINC22_73657827,EMOLS-id_49400931	339.436	JHLUACLMCAFEIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091475
CCCc1nnc2n1N=C(C2=Nc1ccc(nc1C)N(CC)CC)C	PC-id_118594493	339.438	UQGRBQSYDJRQCD-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-091476
CCCc1nnc2n1N=C(/C/2=Nc1ccc(nc1C)N(CC)CC)C	SCHEMBL17357744	339.438	UQGRBQSYDJRQCD-LVZFUZTISA-N	00000011100000101001000010000000000000000000000000000000	25-01-091477
CN=C(N1CCN(CC1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_110962015	339.438	KPLHWWZQETUQLK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091478
CN=C(NC1CCN(C1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_111910605	339.438	LDOSSMDFUYTXNT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091479
CCOCCCN(C(=O)c1sc2c(c1)CCC2)CC(C(=O)O)C	PC-id_119208232,MCULE-8360234834,EMOLS-id_52128945	339.45	QVNRXLYYZVYWNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091480
COc1ccc(C2=CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	ZINC22_61966180,MCULE-9219198955,EMOLS-id_37001404,PC-id_56795699	339.451	BKRQCWOYKHDZJV-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-091481
c1(NC(=O)NCCCN(C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_4737518,ZINC22_6669583,PC-id_8034706,MCULE-9795817211,STOCK6S-08573	339.453	LRNCMAWVJSPDGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091482
C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1nc2c(s1)CCC2	PC-id_95787726,ZINC22_72311435	339.453	YSOGEWJBPJWOFN-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-091483
C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1nc2c(s1)CCC2	ZINC22_72311436,PC-id_95787727	339.453	YSOGEWJBPJWOFN-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091484
CCOC(=O)c1c(NC(=O)C(N)CCCCN)sc2CCCc12	MCULE-9478190514,EMOLS-id_327946270	339.453	ODMUEYNUFXRJIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091485
O=C(C1CCCCC1)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	CoCoCo_2666472,PC-id_5124225	339.453	YMIWIRSPLKJBNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091486
OCC1(CCOCC1)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005562	339.453	RXIKYLNHRZECKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091487
OCC(C1CCOCC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005778	339.453	HYBMADQQIKHHOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091488
O=C(C(CC1CCCCC1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110495724	339.453	KGKYSYOEXXLWBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091489
O=C([C@@H]1CC[C@H](CC1)C(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466235	339.453	WKSYMQWFHCMPBK-JOCQHMNTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091490
O=C(CN(C(C(=O)OC(C)(C)C)C)C)Nc1sc2c(n1)CCC2	PC-id_72108523,MCULE-6623209071,EMOLS-id_42922997	339.453	YSOGEWJBPJWOFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091491
OCCN(C(=O)Nc1sc2c(n1)C(CC2)(C)C)C1CCOCC1	EMOLS-id_102007257	339.453	GBHUWWMQOBWJRX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091492
O[C@@H]1CCN(C[C@H]1C1CCCC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101955729	339.453	JZCXVNDHASGNQC-UONOGXRCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-091493
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(C1CCOCC1)O	EMOLS-id_102003531	339.453	BSDIVULZEQACGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091494
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCC1(O)CCOCC1	EMOLS-id_102009012	339.453	NBEDYYNERXMJHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091495
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCCCC1(C)C	EMOLS-id_110450735	339.453	XCEKSOVWLUMYKZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091496
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCC(CC1)(C)C	EMOLS-id_110466199	339.453	AOAGQWUOPAOPLW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091497
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC(C1CCCCC1)C	EMOLS-id_110389720	339.453	NPXSKTUDMLLLCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091498
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)OC1CCCC1	EMOLS-id_100197018	339.453	QUYRCGDQNVOEBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091499
c1(NC(=O)c2ccc(cc2)N(CC)CC)sc2c(CCC2)c1C#N	ZINC22_239968,CoCoCo_1738270,MCULE-3478802681,EMOLS-id_15925545,PC-id_4547458	339.455	YMYYHCPMIIWOPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091501
CC(c1ccccc1)N(CC(=O)Nc1c(C#N)c2c(CCC2)s1)C	PC-id_17408115,EMOLS-id_11921725,MCULE-3164717077	339.455	OLLMICCHWYAITF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091502
C[C@@H](c1ccccc1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3851512,PC-id_41176945,ZINC22_9691576,CoCoCo_3851513	339.455	OLLMICCHWYAITF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091503
C[C@H](c1ccccc1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3851514,PC-id_41176947,CoCoCo_3851515,ZINC22_9691577	339.455	OLLMICCHWYAITF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091504
CN(C)c1ccc(CCC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327915192,MCULE-4735262600	339.455	LAXADGQJNUERFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091505
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCC1CCCCC1	MCULE-3711472492	339.455	DUZAWVNZVDXNTG-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-091506
O=c1n2nc(CCC3CCCCC3)nc2s/c/1=Cc1ccccc1	EMOLS-id_324903426	339.455	DUZAWVNZVDXNTG-SSZFMOIBSA-N	00000000100010110001000010000000000000000000000000000000	25-01-091507
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccccc1)C)C#N	PC-id_24588551	339.455	AKKWNIXDSCPZEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091508
s1c2CCCc2c(c1NC(=O)CCN(CC)c1ccccc1)C#N	PC-id_56525079	339.455	VCQLSFGINIUBBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091509
s1c2CCCc2c(c1NC(=O)CN(Cc1ccccc1)CC)C#N	PC-id_8541751	339.455	UFUQWOLCRGZDGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091510
s1c2CCCc2c(c1NC(=O)CN(Cc1c(cccc1)C)C)C#N	PC-id_8964549	339.455	KNJCEYKHUBFALF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091511
s1c2CCCc2c(c1NC(=O)CN(Cc1ccc(cc1)C)C)C#N	PC-id_9025309	339.455	NSSNCZOJNIQBGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091512
c1(NC(=O)C(=O)NCCN(C)C)c2CSCc2nn1C(C)(C)C	ZINC22_5438131,EMOLS-id_5617880,PC-id_7685487,MCULE-7179256890,CoCoCo_5184696	339.456	KDVIRNSSTGKKCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091513
s1c2c(CCC2)c(c1NC(=O)CSc1sccn1)C(=O)N	PC-id_60563753	339.456	AXMYZISLDTWVDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091514
s1c2CCCc2nc1NS(=O)(=O)c1cc(ccc1)C(=S)N	PC-id_61512006	339.456	GYASOTMPXVWVCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091515
s1c2CCCc2nc1NS(=O)(=O)c1ccc(cc1)C(=S)N	PC-id_61512007	339.456	MUTLMRSOOJCEHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091516
s1c2CCCc2nc1NS(=O)(=O)c1c(cccc1)C(=S)N	PC-id_61512008	339.456	WZFAYVCJRJNANQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091517
Cc1scc(n1)c1ccc(cc1)C(NC1CC(n2c1ncn2)C)C	EMOLS-id_258181506	339.458	LSBRNYZEWIMNGD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091518
N#Cc1cccnc1N1CCCN(Cc2nc3c(s2)CCC3)CC1	ZINC22_97033835,MCULE-1637002601,EMOLS-id_49338193,PC-id_75515936	339.458	DRGYOFBQZGEVPR-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-091519
CCCCC(COC(=O)c1sc2c(c1C#N)CS(=O)C2)CC	PC-id_102582504	339.473	MHXMNRHDEVLFIT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091520
n1(c2c(CCC2)cc1CCCC#Cc1ccccc1)Cc1ccccc1	PC-id_53387451	339.473	SENXUYBSDLLOKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091521
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(CC)(C)C)C(=O)OCC	PC-id_25515997	339.473	MSLHOVWPXTXKGQ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-091522
CC(C)(C)C[C@@H](C(=O)N=C1C=Cc2cn(cc12)CC1CCCC=C1)N	PC-id_136358540	339.474	OBPJDBCDSSLNMJ-PKHIMPSTSA-N	00000011100011000000000010000000000000000000000000000000	25-01-091523
CCN(CC)CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215668,MCULE-4888444964	339.474	LWSKRGRRHDONJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091524
CN(C)CCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2511893651,EMOLS-id_328215164	339.474	QNIKPDQTFOGQIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091525
COc1ccc(cc1)C1(CNCc2cnc3n2CCC3)CCCCC1	EMOLS-id_318198866	339.474	VDTRPJIKKFOUSJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091526
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCCCN	MCULE-3978691357,EMOLS-id_328214387	339.474	LBMRYHRHHINCQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091527
O=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2c1CCC2)C(C)C	PC-id_14536053	339.474	RONKDMJBGYFLIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091528
O=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2C(CC(c12)C)C)C	PC-id_14536083	339.474	JLDWDDXDELGCMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091529
O=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2C(CCc12)CC)C	PC-id_14536089	339.474	YTHFHWXMMDQLSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091530
c1(NC(=S)NC(=O)CCCCC)sc2c(CCC2)c1C(=O)N	MCULE-6557997307,ZINC22_6263970,PC-id_4504205,TIMTEC598607	339.476	ZNJUJLBNYFUEMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091531
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCCN(C)C	MCULE-3124535276,EMOLS-id_186641605	339.476	DVUGWMMDCOGFJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091532
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)C	PC-id_19653812,SPECS-id_AO-476/43417037,ZINC22_13826113,EMOLS-id_30081128,CoCoCo_6964803,MCULE-7249337205	339.476	OYMCSHVCLVJAIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091533
CC1CC(c2n1ccn2)NS(=O)(=O)c1ccc(s1)C(C)(C)C	EMOLS-id_101318485	339.476	FEVOKAXSIWMVPL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091534
CC1(C)SC[C@@H](C(=O)NCCc2nc3c(s2)CCC3)NC1=O	ZINC22_299794894	339.476	KFTDXRWSCDRBCJ-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-091535
CC1(C)SC[C@H](C(=O)NCCc2nc3c(s2)CCC3)NC1=O	ZINC22_299794909	339.476	KFTDXRWSCDRBCJ-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091536
CC1(C)SCC(NC1=O)C(=O)NCCc1nc2CCCc2s1	MCULE-9148197501,EMOLS-id_68940403,PC-id_118795283	339.476	KFTDXRWSCDRBCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091537
Cn1nc2c(c1NS(=O)(=O)c1ccc(s1)C(C)(C)C)CCC2	EMOLS-id_98228444	339.476	AEKBWWNPABEGRL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091538
Cc1nc(cc(c1)Sc1ccccc1)Nc1sc2c(n1)CCC2	PC-id_144988119	339.478	IMAUTJBSSUQLEL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-091539
CCN1CCN(CC1)Cc1ccccc1CNC1CCn2c1ncc2	EMOLS-id_318361651	339.478	FDDCKZXOBFGJRI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-091540
N1(CCCN2CCn3c2nc(c3C)C)CCN(CC1)c1ccccc1	PC-id_10404948	339.478	UKJWTWAXFQLOSA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091541
CC(CC1CCN(C1(C)C)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_101973958	339.496	ZTCZYJMHZOPXOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091542
CCCCS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110020	339.496	TXAQWRCWTXRUTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091543
COCC(CN1CCC(CC1)NC(c1sc2c(n1)CCC2)C)O	PC-id_110017325	339.496	XNAWFYHHJJUNJX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091544
Cc1nc(CSCCC(=O)Nc2nc3c(s2)CCC3)cs1	PC-id_51088798,MCULE-2504683893,ZINC22_56218520,EMOLS-id_32059002	339.499	VTLGGBMQYQWVJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091545
CC(C)(C)c1c2CN(Cc2nn1COCC[Si](C)(C)C)C(=O)O	PC-id_89723535,SCHEMBL15152821	339.505	YYCBSRNPQBYGTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091546
CC(C)(C)OC(=O)N1Cc2cn(COCC[Si](C)(C)C)nc2C1	SCHEMBL9899683,PC-id_67957803,EMOLS-id_295589377	339.505	JJJMITSEOYBVBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091547
CCOC(=O)c1nn2c(n1)C(CC2CC)O[Si](C(C)(C)C)(C)C	PC-id_141651248	339.505	LBKWYTIEOMNPLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091548
O=C(N1Cc2c(C1)n(nc2)COCC[Si](C)(C)C)OC(C)(C)C	SCHEMBL5720876,PC-id_69543307	339.505	HFZPWRVESRFHGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091549
CC1CCc2c1c(Br)nn2Cc1ccc(C)cc1Cl	EMOLS-id_330965503,MCULE-9107305111	339.658	IPHHVROERALAMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091550
CC1CCc2c1c(Br)nn2Cc1cccc(C)c1Cl	EMOLS-id_330966015,MCULE-4824159588	339.658	YGOBYPNMOITTGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091551
CC1CCc2c1c(Br)nn2Cc1cc(C)ccc1Cl	MCULE-5342499135,EMOLS-id_330966271	339.658	ZNQHJQIFXTVNPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091552
CC1CCc2c1c(Br)nn2Cc1c(C)cccc1Cl	MCULE-7804897404,EMOLS-id_330965759	339.658	BYCAWNINJHEAOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091553
CC1CCc2c1c(Br)nn2Cc1ccc(C)c(Cl)c1	MCULE-6116809802,EMOLS-id_330968063	339.658	ABCYHNCMXPDOOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091554
CC1CCc2c1c(Br)nn2Cc1cc(C)cc(Cl)c1	MCULE-9847384546,EMOLS-id_330968575	339.658	CHLNOTJVWWNZGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091555
CC1CCc2c1c(Br)nn2Cc1cccc(Cl)c1C	EMOLS-id_330968319,MCULE-7257133657	339.658	SJDRIXHXPQVGQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091556
CC1CCc2c1c(Br)nn2Cc1ccc(Cl)cc1C	EMOLS-id_330970864,MCULE-4534793470	339.658	QUWMVRUZEYGATC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091557
CC1CCc2c1c(Br)nn2Cc1ccc(Cl)c(C)c1	EMOLS-id_330971120,MCULE-7621232978	339.658	QZHJWTSBBQGLHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091558
CC1CCc2c1c(Br)nn2Cc1cc(Cl)ccc1C	MCULE-4367696495,EMOLS-id_330968831	339.658	KSOXGPFEYUFSSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091559
CC1CCc2c1c(CBr)nn2Cc1ccccc1Cl	EMOLS-id_331033603,MCULE-2413066307	339.658	UVJXQEAERVDXOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091560
CC1CCc2c1c(CBr)nn2Cc1ccc(Cl)cc1	EMOLS-id_331030789,MCULE-2721217565	339.658	GSAGLDPGGQJNEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091561
CC1CCc2c1c(CCl)nn2Cc1ccc(Br)cc1	MCULE-1450571917,EMOLS-id_331022860	339.658	NQXYLPZZPNHOHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091562
CC1CCc2c1c(CCl)nn2Cc1cccc(Br)c1	MCULE-6940656407,EMOLS-id_331024140	339.658	ROWSTUCANLGFBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091563
c1(C(=O)OCC)c2CSCc2sc1I	EMOLS-id_331062060,MCULE-3404234683	340.201	HLECNPGRVDDQJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091671
CC1CCc2c1c(CCl)nn2Cc1ccccc1Br	MCULE-2441534461,EMOLS-id_331025932	339.658	MIORHYBMKBERTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091564
CC1CCc2c1c(Cl)nn2Cc1ccc(Br)cc1C	EMOLS-id_330977267,MCULE-3567221644	339.658	DVFXDHFOAACRBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091565
CC1CCc2c1c(Cl)nn2Cc1ccc(Br)c(C)c1	EMOLS-id_330973428,MCULE-8108961782	339.658	MPFBJKMEFZKCPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091566
CC1CCc2c1c(Cl)nn2Cc1cc(C)cc(Br)c1	EMOLS-id_330974708,MCULE-1242632929	339.658	HWSHDJDNGFLBIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091567
CC1CCc2c1c(Cl)nn2Cc1ccc(C)c(Br)c1	MCULE-1306386463,EMOLS-id_330974452	339.658	FPUJLFLOUMUOLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091568
CC1CCc2c1c(Cl)nn2Cc1cc(C)ccc1Br	EMOLS-id_330976500,MCULE-3333063284	339.658	BDIYPMUHBVJJFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091569
CC1CCc2c1c(Cl)nn2Cc1ccc(C)cc1Br	MCULE-1332893242,EMOLS-id_330976244	339.658	GHUDIBGDMUVPTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091570
CC1CCc2c1c(Cl)nn2Cc1cccc(C)c1Br	MCULE-6340835213,EMOLS-id_330976756	339.658	GOXXNLGOLIHGTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091571
CC1CCc2nn(Cc3ccc(Br)cc3C)c(Cl)c12	EMOLS-id_330958256,MCULE-6450170127	339.658	PMAZCDANAYBTNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091572
CC1CCc2nn(Cc3ccc(Br)cc3)c(CCl)c12	EMOLS-id_331006902,MCULE-3877642689	339.658	PDPJXKZQPGTSPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091573
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(Cl)c12	MCULE-8153510595,EMOLS-id_330958512	339.658	CQZFWIWRFZPFKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091574
CC1CCc2nn(Cc3cccc(Br)c3)c(CCl)c12	MCULE-8141734057,EMOLS-id_331008182	339.658	AXPHUNSFBZLDKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091575
CC1CCc2nn(Cc3ccccc3Br)c(CCl)c12	EMOLS-id_331009974,MCULE-1827202971	339.658	DTYBQKRJBNEYSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091576
CC1CCc2nn(Cc3ccccc3Cl)c(CBr)c12	MCULE-2004120664,EMOLS-id_331012541	339.658	OYLPFVNCOMOVKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091577
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(Cl)c12	EMOLS-id_330959536,MCULE-6605385838	339.658	BMLDOWUZYIRYRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091578
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(Cl)c12	EMOLS-id_330959792,MCULE-8876726476	339.658	MDBALKZVUSOWPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091579
CC1CCc2nn(Cc3ccc(C)cc3Br)c(Cl)c12	MCULE-6527988380,EMOLS-id_330957233	339.658	CCEJWVHPJCDWRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091580
CC1CCc2nn(Cc3cccc(C)c3Br)c(Cl)c12	MCULE-8219075117,EMOLS-id_330957745	339.658	QGWXKYLZAQZYER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091581
CC1CCc2nn(Cc3cc(C)ccc3Br)c(Cl)c12	MCULE-9616690347,EMOLS-id_330957489	339.658	GDQQUHKGKIHMLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091582
CC1CCc2nn(Cc3cccc(C)c3Cl)c(Br)c12	EMOLS-id_331017643,MCULE-5029678863	339.658	MDQHTVDYKHMJHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091583
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(Br)c12	EMOLS-id_331017899,MCULE-3822081280	339.658	IUEMOQQAPPCJSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091584
CC1CCc2nn(Cc3c(C)cccc3Cl)c(Br)c12	MCULE-8024469489,EMOLS-id_331017387	339.658	XINVGHWOYQCYDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091585
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(Br)c12	MCULE-9592275131,EMOLS-id_331017131	339.658	OGCDIZFQBGCNPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091586
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(Br)c12	MCULE-1859485526,EMOLS-id_331016108	339.658	AJGMGVDGETZGQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091587
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(Br)c12	MCULE-5474943667,EMOLS-id_331015596	339.658	GTGDAAICDVZMDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091588
CC1CCc2nn(Cc3cccc(Cl)c3C)c(Br)c12	EMOLS-id_331015852,MCULE-7891214760	339.658	POCIVOQMTFNWMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091589
CC1CCc2nn(Cc3ccc(Cl)cc3)c(CBr)c12	EMOLS-id_331013822,MCULE-7357503735	339.658	MWWZMUVYDFTOJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091590
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(Br)c12	MCULE-7724123518,EMOLS-id_331014317	339.658	IXPRRKSTIJXZTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091591
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(Br)c12	MCULE-5079303266,EMOLS-id_331014573	339.658	WYHMTMPTBCRBLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091592
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(Br)c12	EMOLS-id_331016364,MCULE-5193057138	339.658	UOXCTZWYFAJUSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091593
Clc1sc2c(c1)C(CC2)Nc1c(F)c(F)c(c(c1F)F)F	PC-id_115564156	339.711	QYJBIZUJQHIGGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091594
CC1CCc2c1c(nn2Cc1ccc(cc1Cl)C(F)(F)F)C#N	MCULE-3596753898,EMOLS-id_331021815	339.743	FIAZFBSWWZBDQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091595
CC1CCc2c1c(nn2Cc1ccc(c(Cl)c1)C(F)(F)F)C#N	EMOLS-id_331020280,MCULE-8175139159	339.743	DARWZLVZSXNWTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091596
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(C#N)c12	EMOLS-id_331002546,MCULE-7510738768	339.743	VPNYQHPZBRBFTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091597
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(C#N)c12	MCULE-2505160933,EMOLS-id_331005106	339.743	RGMWRWGQHYYPBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091598
C1COc2c(c(nn12)C(=O)NCCC(c1ccccc1Cl)O)F	PC-id_91960076	339.749	CURPVRRLVFGWMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091599
COc1cc(Cl)c(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319770258	339.753	VFXZXCYHOQUZPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091600
c1(NC(=O)c2c(cccc2F)Cl)sc2c(CCC2)c1C(=O)O	PC-id_28860265,MCULE-4340632203,EMOLS-id_179129508	339.769	VIOZHSIPGQSGCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091601
COS(=O)(=O)c1ccccc1C(=O)c1cc(c2n1CCC2)Cl	PC-id_145801687	339.794	FGNNBDHAAKDJEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091602
c1(NC(=O)c2c(Cl)cnn2C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4019305,CoCoCo_6927609,SPECS-id_AK-968/41925457,ZINC22_375473,PC-id_844229,MCULE-6779056496	339.797	PJEVELKMPABWOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091603
Cc1cccc(Cl)c1S(=O)(=O)NC(=O)c1cn2c(n1)CCC2	ZINC22_1615046722,MCULE-2682779476,EMOLS-id_316895397	339.797	QLVSMMQCAGSYNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091604
Cc1cccc(S(=O)(=O)NC(=O)c2cnn3c2CCC3)c1Cl	EMOLS-id_316920683,MCULE-4711778318,ZINC22_835276963	339.797	RUJBYJZRXXTUOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091605
Clc1c(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cncc1	PC-id_64281913	339.82	FZJCLGMLIIMIBF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-091606
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(cc1)C#N	PC-id_80698121	339.82	JOSPTFLSIYDPSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091607
Clc1ncccc1S(=O)(=O)Nc1sc2c(CCC2)c1C#N	PC-id_61053375	339.82	PGXZLTVGPUEPJO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-091608
Clc1nccc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)c1	PC-id_61053550	339.82	AIHYQMXASOPUGB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-091609
Clc1ncc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_61052824	339.82	UCLVUMWLELOMAS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-091610
N#Cc1ccc(c(c1)Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_104056474	339.82	MSGQASYVEJBAJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091611
N#Cc1ccc(cc1Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_115588759	339.82	LFNCSNYHMWPQHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091612
C[C@@H](NC(=O)N(C)Cc1nnc2n1CCC2)c1ccc(Cl)s1	PC-id_95161187,ZINC22_65626502	339.844	CICKGAUUCGDCBX-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091613
C[C@H](NC(=O)N(C)Cc1nnc2n1CCC2)c1ccc(Cl)s1	ZINC22_65626499,PC-id_95161186	339.844	CICKGAUUCGDCBX-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-091614
Clc1sc(C(NC(=O)N(Cc2n3CCCc3nn2)C)C)cc1	EMOLS-id_35720304,MCULE-7340058371,PC-id_53520746	339.844	CICKGAUUCGDCBX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091615
O=C(Cn1nc(c(c1C)Cl)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99826717	339.844	JOFDUYCLBSOIIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091616
Brc1sc(Br)c2c1C(=NO)CC2=NO	PC-id_396942	339.992	PUIUOZJBQWAZHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091617
Brc1sc(Br)c2c1/C(=N/O)/CC2=NO	PC-id_9572130	339.992	PUIUOZJBQWAZHU-VEPASKNESA-N	00000010100000000000000010000000000000000000000000000000	25-01-091618
O/N=C/1C/C(=NO)/c2c1c(Br)sc2Br	CoCoCo_5770715,NSC704124	339.992	PUIUOZJBQWAZHU-NXOFHUPFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091619
O/N=C/1C/C(=N/O)/c2c1c(Br)sc2Br	CoCoCo_5770716	339.992	PUIUOZJBQWAZHU-BODWMKBTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091620
O/N=C
/C/C(=N/O)/c2c1c(Br)sc2Br	CoCoCo_5770717	339.992	PUIUOZJBQWAZHU-XVVXZDBVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091621
Brc1sc(Br)c2c1C(OCC)CC2=O	PC-id_400220	340.032	IZFVJTVELYDAAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091622
CCO[C@H]1CC(=O)c2c1c(Br)sc2Br	CoCoCo_5778846	340.032	IZFVJTVELYDAAU-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091623
CCO[C@@H]1CC(=O)c2c1c(Br)sc2Br	NSC711738,CoCoCo_5778845	340.032	IZFVJTVELYDAAU-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091624
C1CC2=C(C(=C(N2C1)C(=O)CC3=CC(=C(C=C3)F)F)Cl)[N+](=O)[O-]	PC-id_160626396	340.043	LFPYLMBNUPPBAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091625
C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)NCC3=CC=CC(=O)N3	MCULE-2052927036,PC-id_154781380,EMOLS-id_317775523	340.115	HMWFAWGQDWUMSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091626
CN1C(=CC=N1)NC2=C(C(=CC(=C2)O)O)C(=O)N3CC4=C(C3)NN=C4	PC-id_155268775,CHEMBL4519168	340.128	ZKNGLEABRCYJBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091627
CCC(C(F)(F)F)NC(=O)c1nn2c(c1Br)CCC2	MCULE-3865310018,EMOLS-id_320140906	340.14	GYWGCXIITVYZBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091628
C1Cc2c(C1)sc(c2C(=O)O)NC(=O)C(F)(F)Br	SCHEMBL20541772,PC-id_135363023	340.141	SLTOIROOYLLIAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091629
CC1Cc2c(C1(F)F)n(nc2I)C(C)(C)C	PC-id_134443745	340.151	QAZWHLDNHOLASQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091630
C[C@@H]1Cc2c(C1(F)F)n(nc2I)C(C)(C)C	SCHEMBL20078936	340.151	QAZWHLDNHOLASQ-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091631
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1Cl)Cl)C	STOCK6S-83985,EMOLS-id_27456896,PC-id_135649915,MCULE-5931816495	340.165	HDKQNOVVJATMAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091632
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)Cl)C	PC-id_135649905,EMOLS-id_24577214,STOCK6S-68391,MCULE-6745340212,SPECS-id_AN-153/NB21578	340.165	NGEWZBLSXXFEBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091633
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1Cl)C	STOCK6S-83334,EMOLS-id_27455856,PC-id_135649914,MCULE-7341178116	340.165	SUFOMGJTNCXPKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091634
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(Cl)cc(Cl)c1)C	EMOLS-id_17104249,STOCK6S-49645,MCULE-9256090240,PC-id_135635965	340.165	PCYJKHKHISDLLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091635
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(Cl)ccc(Cl)c1)C	EMOLS-id_27451168,STOCK6S-80359,PC-id_135649913,MCULE-8025740111	340.165	PMRLTBFEXUCQDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091636
Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N2	ZINC22_31815922,PC-id_135878658	340.165	SUFOMGJTNCXPKE-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091637
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N2	ZINC22_31815927,PC-id_135878659	340.165	SUFOMGJTNCXPKE-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-091638
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N2	PC-id_135878672,ZINC22_31816288	340.165	HDKQNOVVJATMAQ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091639
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N2	ZINC22_31816293,PC-id_135878673	340.165	HDKQNOVVJATMAQ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-091640
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N2	PC-id_135902024,ZINC22_20722801	340.165	NGEWZBLSXXFEBH-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091641
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N2	PC-id_135902025,ZINC22_20722804	340.165	NGEWZBLSXXFEBH-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-091642
Cc1nc2n(n1)[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N2	PC-id_135878625,ZINC22_31814690	340.165	PMRLTBFEXUCQDB-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091643
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N2	PC-id_135878626,ZINC22_31814694	340.165	PMRLTBFEXUCQDB-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-091644
Cc1nc2n(n1)[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N2	ZINC22_13693349,PC-id_135899903	340.165	PCYJKHKHISDLLC-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091645
Cc1nc2n(n1)[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N2	ZINC22_13693350,PC-id_135899904	340.165	PCYJKHKHISDLLC-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-091646
CCOC1=Nn2c(nc(n2)C)C1=Nc1cc(c(c(c1)Cl)O)Cl	PC-id_136089179	340.165	BYQWQDZEXNCEEB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-091647
Cc1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324845283	340.171	IIAXEIRVPQFPKH-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091648
Cc1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324840431	340.171	FZGPGXXIQLDPRD-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091649
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)C	MCULE-9064271028	340.171	IIAXEIRVPQFPKH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091650
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)C	MCULE-3322423310	340.171	FZGPGXXIQLDPRD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091651
Cc1c2n(CCO2)nc1C(=O)NCCn1cc(cn1)Br	PC-id_91959900	340.176	IKFWJTMPZGVFMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091652
COCn1ncc(c1)NC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_258105954,MCULE-7559962571	340.176	QFZQTHJXVKZBMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091653
O=C(c1nn2c(c1Br)CCC2)NC(c1nocn1)(C)C	EMOLS-id_319545441	340.176	GUNVQHSWDQZKCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091654
O=C(c1nn2c(c1Br)CCC2)NCC(c1nocn1)C	EMOLS-id_319927883,MCULE-2308371189	340.176	CBRJYYXETWGJRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091655
O=C(c1c(Br)nc2n1CCC2)Nc1nnn(n1)C(C)C	EMOLS-id_279031754	340.179	MPLIKONDTPJPJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091656
N#Cc1c(NC(=O)c2ccc(Cl)nc2Cl)nc2n1CCS2	MCULE-7737439004,PC-id_122140818,ZINC22_118225469	340.188	KPYAVCKQGOUQGU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091657
[2H]C(CC(C)C)OC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=CC=C3)C	PC-id_153747399	340.19	CJUBGLRYIYGFIN-UQBWLURTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091658
COC1=CC=CC=C1N2CCC(C2)CNC(=O)C3=NNC4=C3CCC4	PC-id_154794302	340.19	DNSBZUOHDYEXSE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091659
COc1cc(F)c(cc1NCc1cnc2n1CCC2)Br	EMOLS-id_318136993,MCULE-6446553234	340.191	LTLAVSJMVXXQEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091660
Brc1cc(sc1)C(=O)c1n2CCC(c2cc1)C(=O)O	SCHEMBL11346951,PC-id_21331529	340.192	NBHBJOIOFVSTKL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-091661
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccsc1	SCHEMBL11273207,PC-id_20528118	340.192	KFXIZAYUJMSNCK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-091662
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1sccc1	SCHEMBL11269293,PC-id_20528131	340.192	ANCKEBOKZCNAST-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-091663
Brc1c(scc1)C(=O)c1n2CCC(c2cc1)C(=O)O	PC-id_21331554,SCHEMBL11345349	340.192	NOLYFWUQMHDWEO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-091664
Brc1sc(C(=O)c2n3CCC(c3cc2)C(=O)O)cc1	SCHEMBL11348373,PC-id_20356142	340.192	QPUYUEAXARLINY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-091665
Brc1cnc(c(c1)F)CNC(c1nnc2n1CCC2)C	EMOLS-id_318357088,MCULE-6921084245	340.194	YBDYTEGUQXRXLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091666
Fc1cncc(c1CNC(c1nnc2n1CCC2)C)Br	EMOLS-id_318010164,MCULE-5906794641	340.194	GPBGDTDAFLNZMI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091667
Brc1cc(c(Nc2sc3CCCc3n2)nc1)C(=O)O	PC-id_62000593	340.196	AOSGTTVAOYEUGK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091668
Brc1cc([N+](=O)[O-])c(Nc2sc3CCCc3n2)cc1	PC-id_61510345	340.196	KYSDZUQRYILCFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091669
CC1=C2C(=C(N1CCC3=CC=CC=C3)C)C(CC2(C)C)(C)C(=S)N	PC-id_154355552	340.197	UVCWUGINBITOCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091670
c1(NC(=O)COc2ccc(cc2Cl)Cl)n(C)nc2CCCc12	MCULE-6616186168,PC-id_30859101,EMOLS-id_24910390,ZINC22_23135660,CoCoCo_5273006	340.204	XJJCJRXJBNIWQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091673
Clc1ccc(c(c1)Cl)C(CNC(=O)c1n[nH]c2c1CCC2)O	PC-id_111115624	340.204	PHQSCKBLWQHPSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091674
COc1cc(Cl)c(cc1C(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_319766600	340.204	ABIGNSXBWRLUFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091675
COC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(c(c1)Cl)Cl	SCHEMBL18758557	340.204	NDRDAHPVNOGLIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091676
OC(c1c(Cl)cccc1Cl)CNC(=O)c1n[nH]c2c1CCC2	PC-id_111452380	340.204	ZPDKWACOTRKQJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091677
O=C(NCc1cnc2n1CCC2)COc1cc(Cl)ccc1Cl	EMOLS-id_320139653,MCULE-1808692410	340.204	GUFGKEJTTXHCDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091678
O=C(NCc1n[nH]c2c1CCC2)COc1cc(Cl)cc(c1)Cl	EMOLS-id_319501358	340.204	CDMRSUYDPFCFPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091679
O=C(NCc1n[nH]c2c1CCC2)COc1cc(Cl)ccc1Cl	EMOLS-id_319606525	340.204	PBDAWKBEHJPORJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091680
O=C(C(c1ccc(c(c1)Cl)Cl)O)NCc1cnc2n1CCC2	EMOLS-id_319705097	340.205	CSDVPBRKPJJHLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091681
O=C(C(c1ccc(c(c1)Cl)Cl)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319671336	340.205	HBCOUZDRZXZWTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091682
O=C(C(c1cc(Cl)cc(c1)Cl)O)NCc1n[nH]c2c1CCC2	EMOLS-id_319297493	340.205	HXOGVKVTUSCNAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091683
O=C(NCc1cnc2n1CCC2)COc1c(Cl)cccc1Cl	EMOLS-id_318868738	340.205	MLBIQBLQYDGOBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091684
O=C(NCc1n[nH]c2c1CCC2)COc1ccc(cc1Cl)Cl	EMOLS-id_318885733	340.205	DISDILLTRXMLIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091685
Clc1cc(CNC(=O)NCc2n3CCCc3nn2)ccc1Cl	SCHEMBL12655379,PC-id_52950377	340.208	LNSLTVPVCCBQIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091686
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(Cl)c(c(c1)Cl)C	EMOLS-id_319343960	340.208	UCQCVOKNKXFADR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091687
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(Cl)c(cc1Cl)C	EMOLS-id_319723286	340.208	FRQVYXKDIOCPQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091688
O=C(NCc1ccc(Cl)cc1Cl)NCc1nnc2n1CCC2	MCULE-7979245919,EMOLS-id_35690248,PC-id_53499555,ZINC22_55078352	340.208	SANHPMMSRQNAEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091689
Brc1cc(F)c(NC(=O)c2sc3CCCc3c2)cc1	PC-id_24697150	340.211	DHGRQJAYPYAIGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091690
Brc1c(F)cc(NC(=O)c2sc3CCCc3c2)cc1	PC-id_65438000	340.211	NOWHVNVEBZCGAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091691
Brc1c(NC(=O)c2sc3CCCc3c2)ccc(F)c1	PC-id_28938593	340.211	BJWCINLGPSRPQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091692
Fc1ccc(c(c1)NC(=O)c1sc2c(c1)CCC2)Br	PC-id_113255423	340.211	DRYKWDQSKUUFCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091693
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)Br)F	PC-id_115661587	340.211	GKSCEVGCVUSMMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091694
FCC(CS(=O)(=O)N1CCn2c1c(Br)cn2)(C)C	EMOLS-id_318774608	340.212	MOUMOMKRUTUNFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091695
Brc1cc(C[NH2+]C(c2n3CCCc3nn2)C)c(F)cc1	PC-id_75739676	340.214	DZYDEGIHWPMRQM-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-091696
Brc1cc(C[NH2+][C@H](c2n3CCCc3nn2)C)c(F)cc1	PC-id_51886321	340.214	DZYDEGIHWPMRQM-VIFPVBQESA-O	00000010100000110001000010000000000000000000000000000000	25-01-091697
Brc1cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)c(F)cc1	PC-id_51886323	340.214	DZYDEGIHWPMRQM-SECBINFHSA-O	00000010100000110001000010000000000000000000000000000000	25-01-091698
Brc1cc(F)c(C[NH2+]C(c2n3CCCc3nn2)C)cc1	PC-id_75739677	340.214	PEWMKUONDAVCLZ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-091699
Brc1cc(F)c(C[NH2+][C@H](c2n3CCCc3nn2)C)cc1	PC-id_51886327	340.214	PEWMKUONDAVCLZ-VIFPVBQESA-O	00000010100000110001000010000000000000000000000000000000	25-01-091700
Brc1cc(F)c(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc1	PC-id_51886330	340.214	PEWMKUONDAVCLZ-SECBINFHSA-O	00000010100000110001000010000000000000000000000000000000	25-01-091701
Brc1sc2CN(S(=O)(=O)c2c1)C(CC)C(=O)O	PC-id_69015329,SCHEMBL4358575	340.214	ATNKRVBSXIXBAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091702
OC[C@]12C[C@H]1CCCN2C(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319093156	340.216	HIHRODTWCKBVEP-YMTOWFKASA-N	00100010100010000001010010000000000000000000000000000000	25-01-091703
CCCc1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324846307	340.228	IWBXGKYRGDFHFH-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091704
CC(C)c1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324848364	340.228	WRBRFFKZJHUWOS-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-091705
CC(C)c1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324846827	340.228	MZWRBHBRVIPJOQ-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091706
CCCc1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324848865	340.228	ICTPNHUPEPWWGH-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091707
CCCc1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324847330	340.228	GDRZFPLXFVLFNK-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091708
CC(C)c1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324849387	340.228	HWIHQJDUMDDLAF-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091709
n12c(=O)c(=Cc3ccc(cc3Cl)Cl)sc1nc(C(C)C)n2	MCULE-4775201630	340.228	MZWRBHBRVIPJOQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091710
n12c(=O)c(=Cc3ccc(c(Cl)c3)Cl)sc1nc(C(C)C)n2	MCULE-5131692944	340.228	HWIHQJDUMDDLAF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091711
n12c(=O)c(=Cc3cccc(Cl)c3Cl)sc1nc(C(C)C)n2	MCULE-5866650722	340.228	WRBRFFKZJHUWOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091712
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)CCC	MCULE-7906636245	340.228	ICTPNHUPEPWWGH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091713
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)CCC	MCULE-2139077827	340.228	GDRZFPLXFVLFNK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091714
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCC	MCULE-2721218781	340.228	IWBXGKYRGDFHFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091715
Brc1ccc(o1)CN(C(=O)c1sc2c(c1)CCC2)C	PC-id_86983586	340.235	SOMFRFUDEBLQNO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-091716
CCNC1=NC2=C(N1)N(C(N2C)/N=C/3C=CC(=CC(=C3)C)C)C(C)C	PC-id_155058943	340.238	ZXWHCQIXARAROP-RCCKNPSSSA-N	00000010100000000111000010000000000000000000000000000000	25-01-091717
Brc1cn(c(C(=O)Nc2sc3CCCc3n2)c1)CC	PC-id_61511971	340.239	QILUAQBEOFSVHP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-091718
c1(CNC(=O)c2scc(Br)c2)c2CCCc2nn1C	EMOLS-id_53884643,MCULE-8314348417,PC-id_91819387,ZINC22_225817923	340.239	WXFMLYNEOKSFSR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091719
Cc1cc(c(s1)C(=O)NCc1cnc2n1CCC2)Br	EMOLS-id_319962668,MCULE-3101484556	340.239	AJIMSPOUNPMWFD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091720
Cc1cc(c(s1)C(=O)NCc1n[nH]c2c1CCC2)Br	EMOLS-id_319422585	340.239	LDEXWFHZVKPONG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091721
Cc1sc(c(c1)C(=O)NCc1cnc2n1CCC2)Br	EMOLS-id_319194396	340.239	DYGMCQUTRLKHDM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091722
COc1cc(NCc2sc3c(n2)CCC3)ncc1Br	EMOLS-id_318107916,MCULE-2612783888	340.239	ZEFKIAXMHCGAPL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091723
COc1nc(NCc2sc3c(c2)CCC3)ncc1Br	PC-id_103745911	340.239	ZEXSEAPADBTOIM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091724
O=c1n(C)ncc(c1Br)NCc1sc2c(c1)CCC2	PC-id_115624159	340.239	RPGFRLZRPBCPDY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091725
O=C(c1cc(c(s1)Br)C)NCc1cnc2n1CCC2	EMOLS-id_317949105	340.239	ADASUNZZDSWCQR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091726
O=C(c1cc(c(s1)Br)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319555880	340.239	NGXFJWQZDLLGSK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091727
O=C(c1cc(c(s1)C)Br)NCc1cnc2n1CCC2	EMOLS-id_320119818,MCULE-2071001610	340.239	YHBJLSIRTIWOJM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091728
O=C(c1cc(c(s1)C)Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319463119	340.239	KZQYGXBHFBNVEF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091729
O=C(c1csc(c1C)Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319169469	340.239	DQVZVJADTUTGFR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091730
O=C(c1scc(c1Br)C)NCc1n[nH]c2c1CCC2	EMOLS-id_320308074,MCULE-5899659531	340.239	XDTVPHLCYVHQRV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091731
O=C(NC1CCn2c1cnc2)CCc1ccsc1Br	EMOLS-id_319822051,MCULE-9917925284	340.239	SDFWGQFWARLUTL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091732
O=C(NC1CCn2c1ncc2)CCc1ccsc1Br	EMOLS-id_318780732	340.239	HFGOFYNQVGQSMQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-091733
Brc1sc2c(c1)C(CC2)NCc1nnnn1C1CC1	MCULE-6385511132,EMOLS-id_318196665	340.242	GUVBMNPZGJNZPG-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-091734
OCCC(c1cc(Cl)cc(c1)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_318165672	340.248	BSIBREUNISDOAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091735
Brc1ccc(c(c1)CC(c1sc2c(c1)CCC2)N)F	PC-id_115839157	340.254	XJYDFPSDWHMQDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091736
Brc1ccc(c(c1)F)CC(c1sc2c(c1)CCC2)N	PC-id_115844462	340.254	TUCJRNCTMJMATN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091737
Brc1cc(CNCc2sc3c(CCC3)c2)ccc1F	PC-id_61208154	340.254	KLEBUXMIIUNBOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091738
Brc1cc(C(NC)c2sc3c(CCC3)c2)ccc1F	PC-id_79746764	340.254	XXJSOJPRIMYWBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091739
Brc1cc(CNCc2sc3c(CCC3)c2)cc(F)c1	PC-id_79709878	340.254	HKBBQQNFNQQQNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091740
Brc1cc(CNCc2sc3c(CCC3)c2)c(F)cc1	PC-id_61207388	340.254	KUXQZWPCQDFVTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091741
Brc1cc(F)c(CNCc2sc3c(CCC3)c2)cc1	PC-id_61206650	340.254	MGNUCTWHJAZFOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091742
Brc1c(CNCc2sc3c(CCC3)c2)cccc1F	PC-id_81508712	340.254	BKXQFGLCBOEBGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091743
Brc1c(CNCc2sc3c(CCC3)c2)ccc(F)c1	PC-id_61207794	340.254	KOPUGYKWJXLERV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091744
Brc1c(CNCc2sc3c(CCC3)c2)cc(F)cc1	PC-id_61207248	340.254	QUPSQTWHPVYINQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091745
Brc1c(F)cc(CNCc2sc3c(CCC3)c2)cc1	PC-id_81002736	340.254	WCUJGJCIYXGOJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091746
CNC(c1cc(Br)ccc1F)c1sc2c(c1)CCC2	PC-id_105011696	340.254	FDBVHRZXSCNDFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091747
CNC(c1cccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_106647703	340.254	SLKWGVGPEHTHDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091748
Fc1cc(cc(c1)Br)CC(c1sc2c(c1)CCC2)N	PC-id_105015463	340.254	OMEKDFQTGJQOBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091749
Fc1ccc(c(c1)Br)CC(c1sc2c(c1)CCC2)N	PC-id_115843034	340.254	BARBJROFTTZYRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091750
Fc1ccc(c(c1)CC(c1sc2c(c1)CCC2)N)Br	PC-id_115843558	340.254	WWAFBFKFKGDTTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091751
NC(c1sc2c(c1)CCC2)Cc1cccc(c1Br)F	PC-id_105020383	340.254	BCIAABHNPDELCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091752
NC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Br)F	PC-id_115818427	340.254	KYGYTCQYIXEPHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091753
CC(C1CCCC1NC(=O)c1nn2c(c1Br)CCC2)C	EMOLS-id_320290072,MCULE-6608621822	340.259	AFSVTYUSVBOTIQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091754
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cc1Cl	PC-id_2551299,ZINC22_3431721,CoCoCo_3211328	340.267	HQWDGDFQWJFKCZ-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091755
C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cc1Cl	ZINC22_3431719,CoCoCo_3211327,PC-id_2551297	340.267	HQWDGDFQWJFKCZ-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-091756
Clc1ccc(c(c1)Cl)C(NC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_3311727,PC-id_4833040,MCULE-9122769639	340.267	HQWDGDFQWJFKCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091757
O=C(NCCc1ccc(Cl)cc1Cl)c1cc2c(s1)CCC2	ZINC22_3327036,MCULE-2622914882,EMOLS-id_3324005,CoCoCo_3189413,PC-id_2442746	340.267	PPCGPQHJKDTVRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091758
Brc1oc(C(NCCC)c2sc3c(CCC3)c2)cc1	PC-id_80217725	340.279	YXEURUGOMGCYMP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-091759
CCCNC(c1occc1Br)c1sc2c(c1)CCC2	PC-id_115861372	340.279	NOOGHTFPJCQZNG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-091760
Brc1cc2c(s1)CCC2NCc1c(C)nn(c1C)C	MCULE-3426679746,EMOLS-id_317976463	340.282	OVSZBQCKFDNYEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091761
Brc1c(n(nc1C)C)CNCc1sc2c(CCC2)c1	PC-id_65859088	340.282	XVZQABFGGQEWIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091762
CCCn1ncc(c1C(c1sc2c(c1)CCC2)N)Br	PC-id_105041213	340.282	UCSIXDHNUVRSJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091763
CC(n1ncc(c1C(c1sc2c(c1)CCC2)N)Br)C	PC-id_105042053	340.282	IOCYGLOIFHANBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091764
CCn1ncc(c1C(c1sc2c(c1)CCC2)NC)Br	PC-id_105039935	340.282	FDQAXPAEQJNTQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091765
CCNC(c1c(Br)cnn1C)c1sc2c(c1)CCC2	PC-id_105054371	340.282	JOJFPGRYIBORMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091766
NC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Br)C	PC-id_105000233	340.282	FCTFMSVDPCTRRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091767
N#Cc1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc2c1CCC2	PC-id_2420990,MCULE-5661723450,CoCoCo_3268184,EMOLS-id_3048270,ZINC22_3305318	340.295	PKVISPHEMRAYLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091768
Cc1ccc(c(c1)OCC(F)(F)F)NC(=O)N1CCn2c1ncc2	EMOLS-id_318510142,MCULE-3011655045	340.3	LLCHUZCJJWMXBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091769
CN(C(=O)C1NCc2c1c[nH]n2)Cc1ccc(cc1)OC(F)(F)F	EMOLS-id_318907465	340.3	CYZLVRBXIABNHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091770
Fc1c(C[C@@H](N)CC(=O)N2Cc3c(noc3N)C2)cc(F)c(F)c1	PC-id_56656271	340.3	BZGGXZBMLJPLJL-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091771
Fc1c(C[C@@H](N)CC(=O)N2Cc3oc(nc3C2)N)cc(F)c(F)c1	PC-id_56656208	340.3	ZFGJXBMXVGINMD-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091772
Fc1c(CC(N)CC(=O)N2Cc3c(noc3N)C2)cc(F)c(F)c1	PC-id_76388685	340.3	BZGGXZBMLJPLJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091773
Fc1c(CC(N)CC(=O)N2Cc3oc(nc3C2)N)cc(F)c(F)c1	PC-id_76388667	340.3	ZFGJXBMXVGINMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091774
FC(F)(F)Oc1ccc(CC(=O)NCc2n3CCCc3nn2)cc1	PC-id_52278158	340.3	WDGONSSJSGBSAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091775
FC(F)(F)Oc1ccc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_60361006	340.3	RIWWWSNYMXAMCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091776
O=C(c1cccn(c1=O)CC(F)(F)F)NCc1cnc2n1CCC2	MCULE-9284154043,EMOLS-id_320270440	340.3	FOERSCGXHYAPEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091777
O=C(c1cccn(c1=O)CC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319500897	340.3	ZKKJXMRGLQPATR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091778
O=C(C1NCc2c1c[nH]n2)N(Cc1cccc(c1)OC(F)(F)F)C	EMOLS-id_319855181	340.3	RDYHWANYVDNTNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091779
O=C(C1NCc2c1c[nH]n2)N(Cc1ccccc1OC(F)(F)F)C	MCULE-5121107117,EMOLS-id_320007530	340.3	JVUOENBUPCNCDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091780
O=C(C1NCc2c1c[nH]n2)NCC(C(F)(F)F)(c1ccccc1)O	EMOLS-id_319021518	340.3	RUORXGNDWXVNEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091781
O=C(Cn1cccc(c1=O)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319414430	340.3	PXONZFJTBPJRBS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091782
O=C(Cn1cc(ccc1=O)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319458313	340.3	UERQLBZCASYLSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091783
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1cnccc1CO	EMOLS-id_317036309,ZINC22_1615589679,MCULE-5704641973	340.3	GCIBQTKJMVSSSS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091784
O=C(COc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2	MCULE-7133007162,ZINC22_47350525,PC-id_52259121,EMOLS-id_36635532	340.3	JDAMYRZGMQOUKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091785
O=C(N1CCn2c1ncc2)Nc1cccc(c1C)OCC(F)(F)F	EMOLS-id_318476647,MCULE-6436862771	340.3	SPZIEKXRLNZICK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091786
O=C(NC1CCn2c1ncc2)NCc1cccc(c1)OC(F)(F)F	MCULE-4330892687,EMOLS-id_317036095	340.3	PZEAPJJVUZGRHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091787
O=C(NCc1cccc(OC(F)(F)F)c1)N[C@@H]1CCn2ccnc12	ZINC22_1615615205	340.3	PZEAPJJVUZGRHH-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091788
O=C(NCc1cccc(OC(F)(F)F)c1)N[C@H]1CCn2ccnc12	ZINC22_1615615209	340.3	PZEAPJJVUZGRHH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091789
NC(=NCc1nnc2n1CCC2)Nc1ccc(cc1)OC(F)(F)F	PC-id_111039253	340.304	NYFUELKIYQNKAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091790
NC(=NCc1nnc2n1CCC2)Nc1ccccc1OC(F)(F)F	PC-id_112380324	340.304	BTHGJLKKDAMTTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091791
NC(=NCc1nnc2n1CCC2)Nc1cccc(c1)OC(F)(F)F	PC-id_120337279	340.304	BSEBCBHHYRVUBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091792
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cnc(c(c1)C)C(F)(F)F	EMOLS-id_319067958	340.304	JEBLFVMPDRPLHT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091793
O=C(N1CC(C1)c1n[nH]cn1)Cn1nc(c2c1CCC2)C(F)(F)F	MCULE-5199385139,EMOLS-id_319929156	340.304	GDPOXGLLVNSEBF-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-091794
CCCNC(c1cccc(c1Cl)Cl)c1sc2c(c1)CCC2	PC-id_115851231	340.31	TZUAELUWYYRDIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091795
CCNC(c1sc2c(c1)CCC2)Cc1cccc(c1Cl)Cl	PC-id_107312253	340.31	JIUPNMRGBOSINP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091796
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)Cl	PC-id_115840293	340.31	DZWJGSFYAOERDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091797
CCNC(c1sc2c(c1)CCC2)Cc1cc(Cl)ccc1Cl	PC-id_115863301	340.31	ZWWSLPFHJMCGOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091798
CCNC(c1sc2c(c1)CCC2)Cc1c(Cl)cccc1Cl	PC-id_115830669	340.31	INKFODHLKNGCKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091799
Clc1cc(CC(NCC)c2sc3c(CCC3)c2)ccc1Cl	PC-id_63528156	340.31	FSIQKDIZZLWMSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091800
Clc1cc(C(NCc2sc3c(CCC3)c2)CC)ccc1Cl	PC-id_63452669	340.31	GBMVGOPBGPZSRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091801
Clc1cc(C(NCCC)c2sc3c(CCC3)c2)ccc1Cl	PC-id_43497529	340.31	SXAORISGTVCZKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091802
Clc1c(C(NCc2sc3c(CCC3)c2)CC)ccc(Cl)c1	PC-id_63452795	340.31	NCBZKJNMEGULKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091803
Clc1c(C(NCCC)c2sc3c(CCC3)c2)ccc(Cl)c1	PC-id_63503780	340.31	AFRADYDOAWADTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091804
Clc1c(C(NCCC)c2sc3c(CCC3)c2)cc(Cl)cc1	PC-id_43497635	340.31	JPMZICUYKWQANI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091805
Clc1sc2c(C(NC(C(C)C)c3ccc(Cl)cc3)CC2)c1	PC-id_81234915	340.31	VQOROOZWPFJBQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091806
n12ncnc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O	MCULE-4537864201	340.313	AGKXLVCGKKPOHE-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-091807
n12ncnc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O	MCULE-7160182767	340.313	LGDGJEDWDSRVCI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-091808
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988470,MCULE-7680499913	340.315	NVMDTNTXINNCFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091809
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988726,MCULE-8805842722	340.315	JTCIQZCFWFMHLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091810
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1C=O	MCULE-2302477507,EMOLS-id_330986164	340.315	JNABTRFWAKZFRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091811
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1C=O	MCULE-9113231390,EMOLS-id_330985908	340.315	KYDUZUBZNYXGDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091812
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330988214,MCULE-4517510276	340.315	REJPBEXUUSCJMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091813
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1C=O	MCULE-1624646611,EMOLS-id_330985656	340.315	FASAPEHVJXJGDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091814
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330985912,MCULE-4488382172	340.315	FWGFOACRIDYNJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091815
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1C=O	MCULE-1607608171,EMOLS-id_330988982	340.315	JZKKYVZCOYHECF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091816
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1C=O	EMOLS-id_330989495,MCULE-9349475981	340.315	AZUWXSWCKJGSIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091817
c1(NC(=O)c2ccc(c(F)c2F)F)sc2c(CCC2)c1C(=O)N	PC-id_84417645,EMOLS-id_181348416,MCULE-2729259902	340.32	XUAYVTYFVKBOTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091818
c1(C#N)c2CCCc2sc1NC(=O)c1nn(C)c(C(F)(F)F)c1	ZINC22_2777701,TIMTEC195127,PC-id_4769325,EMOLS-id_4019579,MCULE-1016062757	340.324	HLPJDJBMRDZZET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091819
c1(C(=O)Nc2sc3c(CCC3)c2C#N)n(C)nc(C(F)(F)F)c1	TIMTEC140052,MCULE-2022034674,CoCoCo_6578915,ZINC22_2777663,PC-id_4769287,EMOLS-id_4019587	340.324	FBWOMUUTZDLKBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091820
CN(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324909061	340.324	ZSMWMTJFOCTYLO-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091821
FC(c1nn(c2c1CCC2)Cc1nnc(o1)c1cccs1)(F)F	PC-id_58267494,SCHEMBL1006870	340.324	CCRQXWCHTLWLAJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-091822
n12c(=O)c(=Cc3ccc(cc3)N(C)C)sc1nc(C(F)(F)F)n2	MCULE-6229088627	340.324	ZSMWMTJFOCTYLO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-091823
N#Cc1c(NC(=O)Cn2ccc(C(F)(F)F)n2)sc2c1CCC2	MCULE-2145680757,PC-id_71944740,EMOLS-id_44490904,ZINC22_69610433	340.324	BYAHBGQJRDGQAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091824
CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cncc(F)c1)CC2	EMOLS-id_317025844,MCULE-5617472199,ZINC22_1775999699	340.33	ULTCBOUNKAUEAE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091825
O=C(O)c1cc(S(=O)(=O)NCc2nnc3n2CCC3)ccc1F	ZINC22_13252547,EMOLS-id_36626417,MCULE-9697722193,PC-id_45336204	340.33	IWUXDHDOGMKKMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091826
CCOC(=O)n1nc2c(c1NC(=O)COC)CN(C2(C)C)C(=O)O	SCHEMBL14521344,PC-id_71191360	340.332	ZANUOPJQHHAQGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091827
FC(F)C(F)(F)COCC(=O)NCCc1nc2CCCc2s1	PC-id_91781350,ZINC22_222235888,MCULE-5535444879,EMOLS-id_55663721	340.337	FWBJOAFHNVQCIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091828
n12CCCc1nnc2CNC(=O)COc1cccc(c1)n1cnnn1	ZINC22_223402614,EMOLS-id_55696947,MCULE-4679275357,PC-id_91792756	340.34	YXUVTFMNUQTPHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091829
O=C(c1nc(C)c(nc1N)c1ncco1)NCc1nnc2n1CCC2	PC-id_121351491,SCHEMBL17769163	340.34	XRAXGPZTHJNVEW-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-091830
CC1CC(c2n1ncn2)NCc1cccc(c1)COCC(F)(F)F	EMOLS-id_319947391,MCULE-6185766882	340.343	BWWVZGCNSMFRBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091831
Cc1ccc(c(c1)OCC(F)(F)F)CNC1CC(n2c1ncn2)C	EMOLS-id_279083588	340.343	IVYYSUMUXNCZQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091832
CC(NC1CC(n2c1ncn2)C)COc1ccccc1C(F)(F)F	MCULE-5948708234,EMOLS-id_320036246	340.343	DHNZUUQWHPGBIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091833
O=C(c1cc(n(c1C)CC(F)(F)F)C)NCc1cnc2n1CCC2	EMOLS-id_319208577	340.343	IMQZVVWZRFWXCF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-091834
O=C(c1cc(n(c1C)CC(F)(F)F)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318802482	340.343	VUGKMYNJGGKXTE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-091835
OCCC(c1cccc(c1)C(F)(F)F)NC1CC(n2c1ncn2)C	EMOLS-id_279086635	340.343	NTCLWUVRTROUIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091836
COc1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1OC(F)F	PC-id_24242370,EMOLS-id_17194280,MCULE-1155200350,ZINC22_15636587,CoCoCo_4164148	340.345	WKLPABDGIPPRSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091837
Cc1ccc(cc1)S(=O)(=O)OCc1oc(c2c1OC(O2)(C)C)O	PC-id_102228386	340.348	DXKBWKJKRCLAAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091838
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1c(CC)ocn1	MCULE-4672135110,ZINC22_67561268,PC-id_56740877,EMOLS-id_36569971	340.352	HQBGXLODLYGFAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091839
Fc1cccc(c1)c1noc(c1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318855462	340.352	CFKLKAOVRWPSML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091840
O=C(c1nc(oc1C)c1ccccc1F)NCc1cnc2n1CCC2	EMOLS-id_319187555	340.352	WZFLWVTUTHKJHM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091841
O=C(Cc1coc(n1)c1ccc(cc1)F)NCc1cnc2n1CCC2	EMOLS-id_320025880,MCULE-9525215841	340.352	LBGRUEAYODUEHV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091842
O=C(NCCc1coc(c2ccc(F)cc2)n1)c1n[nH]c2c1CCC2	ZINC22_101531860,PC-id_146121959	340.352	AYUVKDGMAHKRNS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091843
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C(C)n1cncn1	EMOLS-id_36597683,MCULE-2493288309,PC-id_56752090	340.355	NTGRYXKLGIWNKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091844
c1(C(=O)NCc2c3CCCc3[nH]n2)cn(nn1)Cc1ccccc1F	ZINC22_12444516,EMOLS-id_20534001,MCULE-9794081389,CoCoCo_1320309,CoCoCo_1320310,PC-id_25284834	340.355	YZYIXQRZMOWKTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091845
Cc1cc(F)cc(c1)n1nnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320090874,MCULE-2615870690	340.355	SNDOUQNLTFAANL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091846
Cc1cc(F)cc(c1)n1nnc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319010052	340.355	OMIFYMJFRJJDAW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091847
Cc1nc(C(=O)N[C@H]2C[C@H](C)n3ccnc23)nn1c1ccc(F)cc1	ZINC22_456354515	340.355	AABJLRPAAQWXLM-HZMBPMFUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091848
Cc1nc(C(=O)N[C@@H]2C[C@H](C)n3ccnc23)nn1c1ccc(F)cc1	ZINC22_456354522	340.355	AABJLRPAAQWXLM-IINYFYTJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091849
Cc1nc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)nn1c1ccc(F)cc1	ZINC22_456354524	340.355	AABJLRPAAQWXLM-QMTHXVAHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091850
Cc1nc(C(=O)N[C@H]2C[C@@H](C)n3ccnc23)nn1c1ccc(F)cc1	ZINC22_456354526	340.355	AABJLRPAAQWXLM-YGRLFVJLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091851
C[C@@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)n1cncn1	PC-id_95209741,ZINC22_67772219	340.355	NTGRYXKLGIWNKG-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091852
C[C@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)n1cncn1	ZINC22_67772222,PC-id_95209742	340.355	NTGRYXKLGIWNKG-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091853
C[C@@H](NC(=O)c1cnn(c2ccccc2F)c1)c1nnc2n1CCC2	PC-id_94830919,ZINC22_58829233	340.355	YYSIRGHAEVNDSW-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091854
C[C@H](NC(=O)c1cnn(c2ccccc2F)c1)c1nnc2n1CCC2	PC-id_95284464,ZINC22_69441894	340.355	YYSIRGHAEVNDSW-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-091855
Cn1nc(Cn2cccn2)c2c1CN(C(=O)Cc1ccc(F)cn1)C2	EMOLS-id_313734615,ZINC22_1565548124	340.355	SLGNKTKIAMOGLY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091856
Fc1ccc(c(c1)C)n1nnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319227730	340.355	LCPVPQRYXCXBAC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091857
Fc1ccc(c(c1)C)n1nnc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319308949	340.355	OCZYVDWRXMBVMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091858
Fc1cccc(c1)Cn1nnc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319339405	340.355	DZNURAWFAIFLSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091859
Fc1ccc(cc1)n1nc(nc1C)C(=O)NC1CC(n2c1ncc2)C	MCULE-9355448634,EMOLS-id_177269639	340.355	AABJLRPAAQWXLM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091860
Fc1ccc(cc1)n1nc(nc1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319842033,MCULE-8072072533	340.355	AROBAIYZUWRXRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091861
Fc1ccc(cc1)n1nnc(c1C)C(=O)NCc1cnc2n1CCC2	MCULE-4897180296,EMOLS-id_320173662	340.355	DGISLFBAJUQYCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091862
Fc1ccc(cc1)n1nnc(c1C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319294784	340.355	FQTUTEAXWVPIKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091863
Fc1c(n2ncc(C(=O)NC(c3n4CCCc4nn3)C)c2)cccc1	PC-id_53563613,MCULE-8533646613,EMOLS-id_36287378	340.355	YYSIRGHAEVNDSW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091864
O=C(NCc1nnc2n1CCC2)Nc1ccc(F)c(n2cccc2)c1	PC-id_53611256,EMOLS-id_36711984,ZINC22_69845526,MCULE-5527858211	340.355	LKKQQRCSDLQGJD-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-091865
s1c2=NC(=O)C(=c2cc1)C=C1NNC(C1)c1c([N+](=O)[O-])cccc1	PC-id_77758294	340.356	CWIMKRHHDGUDJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091866
NCc1cc(NC(=O)c2sc3c(c2)CCC3)cc(c1)C(F)(F)F	PC-id_120605109,EMOLS-id_302438416,MCULE-6665978963	340.363	WJFLJOBGNDBNQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091867
s1cc2CN(Cc2c1)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_56656204	340.363	RVUHFIVJAXYDHY-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091868
s1cc2CN(Cc2c1)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_76388663	340.363	RVUHFIVJAXYDHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091869
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)OCCC	PC-id_27518457	340.372	OLEICCBMHWBOOX-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-091870
CC(C)C(=O)Nc1cccc(C(=O)c2ccc3n2CCC3C(=O)O)c1	PC-id_13487055,CHEMBL9503	340.373	YUOKRFFGQQEGMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091871
CCOC(=O)CNC(=O)C1CCn2c(C(=O)c3ccccc3)ccc12	CHEMBL508353,PC-id_25148271	340.373	QJXWNFWCXJBUEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091872
O=C([C@@H]1CCn2c1ccc2C(=O)c1ccccc1)OCC(=O)N(C)C	PC-id_101673065	340.373	VTGBQYDBTJIHFI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091873
O=C([C@H]1CCn2c1ccc2C(=O)c1ccccc1)OCC(=O)N(C)C	PC-id_101673066	340.373	VTGBQYDBTJIHFI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091874
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CC(=O)N(C)C	PC-id_60209637	340.373	VTGBQYDBTJIHFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091875
c1ccc(cc1)/C=C/c1c2c(c([nH]1)O)C(=NC2=O)/C=C/c1ccccc1	PC-id_136859625	340.375	AZIYBFJJCWAMQT-PHEQNACWSA-N	00000011100000110000000010000000000000000000000000000000	25-01-091876
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccccc1OC	MCULE-1770151615,EMOLS-id_168604166	340.376	FZAMUFBWHLCGMS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-091877
c1(CN(Cc2ccco2)C(=O)c2cc(C)on2)c2CCCc2n(C)n1	PC-id_86266534,EMOLS-id_50145242,MCULE-3735172021	340.376	QHSDYONWBUMKEE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091878
CC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccccc1)C(=O)C)C	PC-id_141308575	340.376	HUXHXBBAOYUOTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091879
[C@H]1(C(=O)NCc2c3CCCc3[nH]n2)OCC(=O)N[C@@H]1c1ccccc1	MCULE-7750864382,PC-id_134702909,ZINC22_1529144164,EMOLS-id_316147152	340.376	PJPFIIMIPFTOKG-SJORKVTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-091880
COC(=O)c1c(NC(=O)NC2(CC2)c2ccccc2)nc2n1CCC2	EMOLS-id_319684709	340.376	MHSDVKJOLUMIQZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-091881
COC(=O)c1c(NC(=O)NC2CC2c2ccccc2)nc2n1CCC2	EMOLS-id_319686394	340.376	SMNVVLIPVPBPTE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-091882
N#CC(c1ccc(cc1)OCC1Cn2c(O1)nc(c2C)C(=O)N)(C)C	PC-id_140261684	340.376	RCBZXVXJXHUZSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091883
O1[C@@](CN2CCC(=CC2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5538052,PC-id_69480010	340.376	PWLOIANNHFKALZ-SFHVURJKSA-N	00000010100011110001100010000000000000000000000000000000	25-01-091884
O1C(CN2CCC(=CC2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5538060,PC-id_23081495	340.376	PWLOIANNHFKALZ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-091885
o1nc(nc1Cn1nc2CCCc2c1)Cc1cc(OC)c(OC)cc1	PC-id_56885015	340.376	FRSFQIXTYASWAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091886
O=C(c1cc2c([nH]1)CCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1	PC-id_121584334,EMOLS-id_73029443,MCULE-2147036550,ZINC22_390834036	340.376	QPDGGDJOGZBWDP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-091887
O=C(c1cnoc1C)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109525	340.376	HJPAYLMHRVNHGQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091888
c1(c2ccccc2OCCC)nnc(NCc2nnc3CCCn23)o1	ZINC22_1772701827,EMOLS-id_317488500,PC-id_137344069,MCULE-2218846297	340.38	OYRUDASKRNERHH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091889
C1CCN(C1)C(=O)C1CCc2nnc(n12)CNC(=O)c1cnccc1	PC-id_134790398	340.38	ZKUZHGACPTVDNQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091890
c1(ccnn1Cc1ccco1)NC(=O)N(C)Cc1c2CCCc2[nH]n1	PC-id_72847735,ZINC22_96132797,MCULE-4692218744,EMOLS-id_49145317	340.38	NSMDFBCKKJSXBG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091891
Cc1ccc(cc1N1CCNC1=O)C(=O)NCc1nnc2CCCn12	PC-id_70729914,ZINC22_91535352,MCULE-7248310353,EMOLS-id_44712929	340.38	FTTFOYHSQJQVIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091892
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nnc2n1CCC2	MCULE-8119287180,ZINC22_48230878,EMOLS-id_30638228,PC-id_47016898	340.38	QFJBTPXJRIHZDP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091893
C=CCNC(=O)c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_36639383,MCULE-9583242915,ZINC22_48159895,PC-id_52279269	340.38	CYZJDNBTQBOKIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091894
Cn1nnc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109469	340.38	ZPVAFBWQMJOFFT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091895
O=C1N(CC(C1)C(=O)NCc1n2CCCc2nn1)Cc1ncccc1	MCULE-1651238617,PC-id_53524068,EMOLS-id_36268736	340.38	BITDSXDLIOFNIY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091896
O=C1NCCN(C1)c1ccnc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319282040	340.38	JSJGTPCKDIJJIU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-091897
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1N1CCCC1=O	EMOLS-id_319093331	340.38	GRNVWJZKCFEYTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091898
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)N1CCCC1=O	EMOLS-id_319617871	340.38	XLRPJHVBPNVQTP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091899
O=C(NCc1n2CCCc2nn1)CCC1C(=C(C(=O)N=C1C)C#N)C	PC-id_75263969	340.38	QNHJASDFUTWSTH-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-091900
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cn1ncnc1	PC-id_92109490	340.38	YXCHWSZXWDPQPJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-091901
CCOC(=O)C1CCc2c1nc(s2)NCCSC(F)(F)F	PC-id_106433863	340.385	NJPAGRUKCBTKMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091902
FC(Oc1ccc(cc1)C(CNCc1sc2c(n1)CCC2)O)F	PC-id_109948604	340.388	QNWVYIQIUIIXDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091903
FC(Oc1cccc(c1)C(CNCc1sc2c(n1)CCC2)O)F	PC-id_109948778	340.388	BHAADHNDOHXVHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091904
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)F)sc2c(CCC2)n1	MCULE-1105592979,CoCoCo_5138487,ZINC22_4496415,PC-id_7254481,EMOLS-id_5565706	340.393	WPLYGSASIUCPRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091905
Fc1cccc(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_16807309,PC-id_17543291,CoCoCo_3532683,MCULE-1552581121	340.393	BEMUUQOEGHBATO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091906
Fc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_8473935,EMOLS-id_18830653,CoCoCo_3532682,MCULE-5541035404	340.393	XINBBKWMZPNUAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091907
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)Nc1ccccc1F	PC-id_97524519	340.393	DDHJSCNOVOUMDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091908
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1ccccc1F	MCULE-6980708369,PC-id_8474003,CoCoCo_3532692,EMOLS-id_16745536	340.393	RZLSZBTXXQQMIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091909
s1c2c(CCC2)c(c1NS(=O)(=O)c1ccc(F)cc1)C(=O)N	PC-id_2441258	340.393	GXOWCNTZNJJBSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091910
c1(c2CCCc2sc1NC(=O)COC)C(=O)NC(CC)C(=O)O	MCULE-1625271252,PC-id_82033606	340.395	ONHIJFVJUKRVSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091911
CC[C@@H](CO)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	ZINC22_71922290,PC-id_95636400	340.395	FLHFUJIMRVARQO-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091912
CC[C@H](CO)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	ZINC22_71922291,PC-id_95636401	340.395	FLHFUJIMRVARQO-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091913
CCC(NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCC2)CO	MCULE-9306598622,PC-id_56807185,EMOLS-id_37029730	340.395	FLHFUJIMRVARQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091914
C(C(N)C(=O)Nc1sc2CCCc2c1C(=O)OCC)C(=O)OC	MCULE-1955103599,EMOLS-id_327896690	340.395	WQANRGZDFOSZEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091915
CCOC=Nc1sc2c(c1C(=O)OCC)CN(C2)C(=O)OCC	SCHEMBL7667694,PC-id_54410789	340.395	VTYUIYDXCSLQHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091916
CCOC(=O)c1c(NC(=O)CC[C@H](N)C(=O)O)sc2CCCc12	EMOLS-id_327980452,MCULE-3119167414	340.395	MVKGNQFZRSLDTH-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-091917
CCOC(=O)c1c(NC(=O)CCC(N)C(=O)O)sc2CCCc12	MCULE-5444750294,EMOLS-id_327992936	340.395	MVKGNQFZRSLDTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091918
CCOC(=O)c1c(NC(=O)[C@@H](N)CCC(=O)O)sc2CCCc12	MCULE-6865697630,EMOLS-id_327980196	340.395	UKLKDLGNXZWLSZ-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-091919
CCOC(=O)c1c(NC(=O)C(N)CCC(=O)O)sc2CCCc12	EMOLS-id_327992680,MCULE-8849305940	340.395	UKLKDLGNXZWLSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091920
CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)O)sc2c1CCC2	PC-id_95636193,ZINC22_71921999	340.395	IKCWBTWGFAGXEN-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091921
CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](C)O)sc2c1CCC2	ZINC22_71922000,PC-id_95636194	340.395	IKCWBTWGFAGXEN-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091922
CCOC(=O)c1c(NC(=O)C(=O)NCC(O)C)sc2c1CCC2	EMOLS-id_37029446,MCULE-6590155132,PC-id_56807059	340.395	IKCWBTWGFAGXEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091923
CCOC(=O)c1c(NC(=O)C(=O)NC(CO)C)sc2c1CCC2	EMOLS-id_37029448,MCULE-9119974800,PC-id_56807060	340.395	ALDDBEXYWPCLHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091924
CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)CO)sc2c1CCC2	ZINC22_71922001,PC-id_95636195	340.395	ALDDBEXYWPCLHY-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091925
CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)CO)sc2c1CCC2	ZINC22_71922002,PC-id_95636196	340.395	ALDDBEXYWPCLHY-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091926
COC(=O)c1c(NC(=O)N(CC(C(=O)O)C)C)sc2c1CCC2	PC-id_122087690	340.395	JRTQCTYHDRJVBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091927
COC(=O)CCCCC1SCc2c1n(C(=O)C)c(=O)n2C(=O)C	SCHEMBL11647889,PC-id_70626619	340.395	MONLXIVSHUMCCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091928
Fc1ccc(cc1)C1=CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101434194	340.395	FKMUYIAHWRYHPC-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-091929
s1c2c(CCC2)c(c1NC(=O)COC)C(=O)NCCCC(=O)O	PC-id_82033604	340.395	ANSPEUFXTPGTMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091930
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)CCCN)C(=O)OC	PC-id_82034041	340.395	AVEQUFCDOPPMGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-091931
c1(NC(=O)COC(=O)c2ccccc2C)sc2c(CCC2)c1C#N	EMOLS-id_5642868,MCULE-5153029639,ZINC22_2549593,PC-id_2062192	340.396	VKBWNMYPWHNRMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091932
c1(NC(=O)COC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	MCULE-9558656384,CoCoCo_380283,ZINC22_2184378,PC-id_1820000,BAS-09521212,ChEMBL-DNDi_CHEMBL1468128,EMOLS-id_1512899,CHEMBL1468128,SPECS-id_AP-906/42842480	340.396	WYBPGEUMHAQHPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091933
c1(NC(=O)COC(=O)c2cccc(C)c2)sc2c(CCC2)c1C#N	CoCoCo_375902,EMOLS-id_1508489,MCULE-3748033819,ChEMBL-DNDi_CHEMBL1345367,BAS-08765121,ZINC22_812731,CHEMBL1345367,PC-id_1092078	340.396	XPNATFHQWVQITL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091934
Cc1oc(c2ccccc2O)cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_56665244,CHEMBL1822127	340.396	CMXHNYDPLQVLDY-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-091935
Cc1oc(c2cccc(O)c2)cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_56675561,CHEMBL1822129	340.396	XMJOMWVNFVCTNB-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-091936
C=CCS(=O)(=O)c1ccccc1C(=O)c1ccc2n1CCC2C#N	PC-id_70598391,SCHEMBL11498409	340.396	LKRRFYSHUPAOKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091937
C=CCS(=O)(=O)c1cccc(c1)C(=O)C1(C#N)CCn2c1ccc2	SCHEMBL11498410,PC-id_70598392	340.396	NTPWMJCASKENEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091938
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cccc(C#N)c1	PC-id_7623713,CoCoCo_2840848,ZINC22_5308395	340.396	JQIRFPMJBCLVMN-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-091939
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cccc(C#N)c1	ZINC22_5308398,CoCoCo_2840847,PC-id_7623715	340.396	JQIRFPMJBCLVMN-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091940
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(C#N)cc1	ZINC22_4462388,PC-id_7238881,CoCoCo_2840883	340.396	UVQPEDNWXKWHFZ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-091941
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(C#N)cc1	ZINC22_4462390,CoCoCo_2840884,PC-id_7238883	340.396	UVQPEDNWXKWHFZ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091942
CC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	MCULE-8440859907,ZINC22_3328102,EMOLS-id_3124423,CoCoCo_3169219,PC-id_2443895	340.396	LGPJHEUPAPBSIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091943
CCOC(=O)c1c2c(CCC2)sc1NC(=O)c1ccc(C#N)cc1	PC-id_702356,CoCoCo_3268295,MCULE-4095126175,EMOLS-id_3105403,ZINC22_84273	340.396	LBFMQHSPYXXDMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091944
CCOC(=O)c1c(NC(=O)c2cccc(c2)C#N)sc2CCCc12	EMOLS-id_328028885,MCULE-5704378757	340.396	USMUQVFEBDBRKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091945
N#Cc1cccc(c1)NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	MCULE-1047504926,EMOLS-id_13787627,PC-id_16505618	340.396	JQIRFPMJBCLVMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091946
N#Cc1ccc(cc1)NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	MCULE-9694249070,PC-id_17484032,EMOLS-id_15263874	340.396	UVQPEDNWXKWHFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091947
N#Cc1c(NC(=O)CC(c2ccccc2)C(=O)O)sc2c1CCC2	MCULE-1843406117,PC-id_60211192,EMOLS-id_44005848	340.396	NLFYKEVYSFEWCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091948
N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccccc2)sc2c1CCC2	ZINC22_16482404	340.396	NLFYKEVYSFEWCI-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091949
N#Cc1c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)sc2c1CCC2	ZINC22_16482405	340.396	NLFYKEVYSFEWCI-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091950
O=C(NCc1cc2c(s1)CCC2)c1ccc(c2ccco2)[nH]c1=O	MCULE-9999129773,ZINC22_75125188,EMOLS-id_42958962,PC-id_72046740	340.396	RDWFWHHZRFVQTB-UHFFFAOYSA-N	00000010101000101000100010000000000000000000000000000000	25-01-091951
s1c2CCCc2cc1C(=O)Nc1c(N2C(=O)CCC2=O)cccc1	PC-id_72137512	340.396	MDKOLNKXSFDFSP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-091952
s1c2CCCc2cc1C(=O)OC(c1oc(nn1)c1ccccc1)C	PC-id_78514941	340.396	QDKUXARDRLRQBW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091953
s1c2CCCc2cc1C(=O)OCc1onc(n1)c1ccc(cc1)C	PC-id_16505581	340.396	SWYIYGQHFBMOPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091954
s1c2CCCc2cc1C(=O)OCc1onc(n1)c1c(cccc1)C	PC-id_7623640	340.396	XZNHFAAXDFBBES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091955
s1c2CCCc2cc1C(=O)OCC(=O)N(c1ccccc1)CC#N	PC-id_7623526	340.396	JPGWJONNNSOIBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091956
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)CC#N	PC-id_8948155	340.396	AELJBGMFKNMUGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091957
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1)C#N)C	PC-id_45637943	340.396	JPQSJJGIVWLHQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091958
s1c2CCCc2cc1C(=O)O[C@H](c1oc(nn1)c1ccccc1)C	PC-id_7627926	340.396	QDKUXARDRLRQBW-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-091959
s1c2CCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1ccccc1)C	PC-id_7627927	340.396	QDKUXARDRLRQBW-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091960
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1)C#N)C	PC-id_7623746	340.396	JPQSJJGIVWLHQJ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-091961
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1)C#N)C	PC-id_7623748	340.396	JPQSJJGIVWLHQJ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091962
s1c2CCCc2c(c1N=Cc1cc(OC)c(OC(=O)C)cc1)C#N	PC-id_23938959	340.396	RSPHTZFQMWJLTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091963
s1c2CCCc2nc1NC(=O)c1oc(COc2ccccc2)cc1	PC-id_33039453	340.396	JKGBILRFSNJKCT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-091964
c1(NC(=O)C(=O)NCC=C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-1423727986,ZINC22_10250634,PC-id_18586549,CoCoCo_5190604,ChEMBL-DNDi_CHEMBLF2820-0697,EMOLS-id_5625810	340.398	KZVFAIUPPXEANM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091965
CCC(=O)N1CCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389780	340.398	HYCQEBQLLGTNJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091966
O=C(C1CCCC(C1)C(=O)N)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389663	340.398	TUEAWNFUXRYCIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091967
O=C(C1CCCN(C1)C(=O)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110435725	340.398	BNGSYALBNCQSGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091968
O=C(C(NC(=O)c1n[nH]c2c1CCC2)C)N1CCS(=O)(=O)CC1	EMOLS-id_98830774	340.398	RJWDEBCPSJMTLX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-091969
S1Cc2c(nn(c2NC(=O)C(=O)OCC)CC(=O)NCCC)C1	PC-id_44052937	340.398	VVLGCNLLCCECCV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-091970
c1(c(C)onc1c1ccccc1)C(=O)NCc1cn2c(SCC2)n1	PC-id_72936623,EMOLS-id_49177372,MCULE-6859837822,ZINC22_96179765	340.4	KRYPORDLVDYTJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091971
c1(C(=O)NCc2cccs2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316341584,MCULE-6616022910	340.4	LWHAXTUFTWWRQI-AWEZNQCLSA-N	00000010100100101001000010000000000000000000000000000000	25-01-091972
c1(C(=O)NCc2ccsc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316322619,MCULE-6101643956	340.4	QWARVKQRZNBEBP-HNNXBMFYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-091973
c1(C(=O)NCc2ccsc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316255226,MCULE-5650329494	340.4	JBYPJNCMYSHNJN-HNNXBMFYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-091974
c1(NC(=O)c2ccnc(NC(=O)CC)c2)sc2c(CCC2)c1C#N	EMOLS-id_322820906,MCULE-8765739815	340.4	OMVJPVGFYXMZTD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-091975
c1(NC(=O)c2c(C)onc2c2ccccc2)n(C)nc2CSCc12	EMOLS-id_316184477,ZINC22_1505647101,MCULE-7006653061	340.4	DBHQMIMYAOIFBW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091976
c1(OCC)ncc(cn1)C=CC(=O)Nc1sc2CCCc2c1C#N	MCULE-3235497272	340.4	YXUXKLQPTMSHBV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091977
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2ccc(cc2)OC)c1	EMOLS-id_323283917,MCULE-7116623486	340.4	VEYLOMAPPMKEFQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091978
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2ccccc2OC)c1	EMOLS-id_323285695,MCULE-2226550963	340.4	ISHZLBMATSOASN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091979
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2cccc(OC)c2)c1	MCULE-9232228438,STOCK7S-45217,ZINC22_96118788,EMOLS-id_48571806,EMOLS-id_50402679,PC-id_71827676	340.4	CNCJQRALPSIZOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091980
CCOc1ncc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cn1	EMOLS-id_328245391	340.4	YXUXKLQPTMSHBV-VOTSOKGWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-091981
CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1[N+](=O)[O-]	SPECS-id_AG-690/09147026,PC-id_9590824,ZINC22_100506264,CoCoCo_36164	340.4	CAJKKQNFKMOZDJ-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091982
C(=O)(c1ccc(cc1)N)NCC(=O)Nc1sc2CCCc2c1C#N	MCULE-3675146373,EMOLS-id_328032749	340.4	WJGVCUBIPKSXBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091983
COc1cn(c2ccccc2)nc1C(=O)Nc1nc2c(s1)CCC2	ZINC22_25768464,MCULE-8556098257,PC-id_33040141,EMOLS-id_33299534	340.4	VDBVYUWAHGAIAA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091984
N#Cc1c(/N=Cc2ccc(c(c2)[N+](=O)[O-])N(C)C)sc2c1CCC2	CoCoCo_36165	340.4	CAJKKQNFKMOZDJ-GRSHGNNSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091985
N#Cc1n(C)ncc1C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_100475117	340.4	HRCFIIVURWLDGO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-091986
O=C(c1nn2c(c1)CC(C2)Oc1cccnc1)NCc1cscc1	MCULE-1165712641	340.4	QWARVKQRZNBEBP-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-091987
O=C(CCc1nc(c2ccccc2)no1)Nc1nc2c(s1)CCC2	CoCoCo_4164322,PC-id_33040247,MCULE-3896768222,ZINC22_25768568,EMOLS-id_24959665	340.4	WEOCTPPHUSCLCE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091988
O=C(CCc1nnc(c2ccccc2)o1)Nc1nc2c(s1)CCC2	PC-id_33040507,CoCoCo_4164339,ZINC22_25768812,MCULE-7333241503,EMOLS-id_24955343	340.4	YUYNMTVSIXPFRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091989
O=C(NCc1cccs1)c1nc2CN(Cc3cccnc3)Cc2o1	EMOLS-id_44304378,PC-id_97442821,ZINC22_96147297	340.4	YWVPUDCEPQEYBC-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-091990
O=S(=O)(Nc1ncccc1c1ccccc1)c1cnc2n1CCC2	MCULE-5637924663,EMOLS-id_320345180,PC-id_139011698,ZINC22_437932603	340.4	IWUZDNGTZDEWIY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-091991
s1c2CCCc2c(c1N=Cc1cc([N+](=O)[O-])c(N(C)C)cc1)C#N	PC-id_3098923	340.4	CAJKKQNFKMOZDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-091992
s1c2NC(=O)C(=CC3C(NNC3)c3ccccc3)c2cc1C(=O)N	PC-id_73454071	340.4	AKSMJDNGPKZJDY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-091993
c1(C(=O)NCCc2csc(c3cnccn3)n2)c2CCCc2[nH]n1	EMOLS-id_49878594,ZINC22_215512035,MCULE-8672145344,PC-id_77085511	340.403	DCGVWRSSYIWLPD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-091994
c1(C(=O)NCCc2csc(c3ncccn3)n2)c2CCCc2[nH]n1	MCULE-6967274321,PC-id_77079294,EMOLS-id_49867684,ZINC22_215010181	340.403	FRDXWSMPCJLIMY-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-091995
c1(sc2c(CCC2)n1)NC(=O)[C@H](Cc1ccccc1)n1cnnn1	MCULE-2385069750,EMOLS-id_323284537	340.403	ZOOGIMNNDBSOSI-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091996
Cc1ccc(cc1)Cc1nnc(s1)NC(=O)N1CCn2c1ncc2	MCULE-7716641800,EMOLS-id_319999764	340.403	AYXZUYZASADMKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-091997
O=C(c1ncsc1Nc1cccnc1)NCc1cnc2n1CCC2	MCULE-2260922193,EMOLS-id_320000486	340.403	CGQXOFLDUFVZRY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-091998
O=C(Cc1csc(n1)c1ncccn1)NCc1cnc2n1CCC2	MCULE-8520711861,EMOLS-id_320038536	340.403	QXNACVVSNQPZBK-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-091999
C1(CCC1)(c1ccc(cc1)F)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4808046116,EMOLS-id_328201206	340.414	ZLJUWWJAEMVIGS-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-092000
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)OCC2CC2)n1	EMOLS-id_330989814,MCULE-3304129433	340.416	BTBRJJXOCXOKLB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092001
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)OCC1CC1	EMOLS-id_330975665,MCULE-6489364465	340.416	KNIJFBZOJCGBKV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092002
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(c2)OC2CC2)n1	EMOLS-id_330994171,MCULE-5297542809	340.416	VWBSIMOGJYRRHR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092003
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(c1)OC1CC1	EMOLS-id_330978998,MCULE-5350906889	340.416	AAYIOWONVTXTMZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092004
CC(C)[C@H](NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	EMOLS-id_328215408,MCULE-6010523944	340.416	FXQIQAZQJVSVBL-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092005
CC(C)C(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	EMOLS-id_328211583,MCULE-1916439708	340.416	FXQIQAZQJVSVBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092006
CCC(C)(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-5764629010,EMOLS-id_328214649	340.416	LGABIYRMLYUEKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092007
CCCC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-7333104345,EMOLS-id_328214133	340.416	DONJEVQQIXTLNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092008
CCC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)OC	MCULE-9858448014,EMOLS-id_328215415	340.416	BEEXQLFLTZHURL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092009
CCN(CC1Cn2c(C1=O)ccc2C(=O)c1cccc(c1)OC)CC	SCHEMBL8829586,PC-id_67704765	340.416	NSPSJQJDHKFPQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092010
CCO[C@@H]1C[C@@H](NC(=O)c2ccn3c2CCC3)[C@H]1Oc1ccccc1	ZINC22_1875271621	340.416	BSXXJSCDBFDPCN-BHIYHBOVSA-N	00001010100000110000000010000000000000000000000000000000	25-01-092011
CCO[C@@H]1C[C@@H](NC(=O)c2ccn3c2CCC3)[C@@H]1Oc1ccccc1	ZINC22_1875271622	340.416	BSXXJSCDBFDPCN-QRQLOZEOSA-N	00001010100000110000000010000000000000000000000000000000	25-01-092012
CCO[C@@H]1C[C@H](NC(=O)c2ccn3c2CCC3)[C@H]1Oc1ccccc1	ZINC22_1875271623	340.416	BSXXJSCDBFDPCN-QXAKKESOSA-N	00001010100000110000000010000000000000000000000000000000	25-01-092013
CCO[C@@H]1C[C@H](NC(=O)c2ccn3c2CCC3)[C@@H]1Oc1ccccc1	ZINC22_1875271624	340.416	BSXXJSCDBFDPCN-UHOSZYNNSA-N	00001010100000110000000010000000000000000000000000000000	25-01-092014
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc2n1CCC2C)C	SCHEMBL10998005,PC-id_20270346	340.416	UCRCNGZENJURBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092015
CCOC(=O)CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328214903,MCULE-9042490806	340.416	BFGKMCOXIOPGQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092016
CCOC(=O)CN(C)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328336286,MCULE-5334272264	340.416	ZPUAJDDFQLFYBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092017
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCC(=O)O	EMOLS-id_328213368,MCULE-8696285780	340.416	DOEGHLSAVAGNQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092018
O1C(Cn2c1nc(c2CC)C(=O)C)COc1ccc(C2(CC2)C)cc1	PC-id_78098316	340.416	MIHIKKNNXZBJAY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-092019
O1[C@@H](Cn2c1nc(c2CC)C(=O)C)COc1ccc(C2(CC2)C)cc1	PC-id_71525413	340.416	MIHIKKNNXZBJAY-INIZCTEOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-092020
O=C(c1n2c(C(CC2)CC(=O)OCC)cc1C)c1n2CCCc2cc1	PC-id_20270351	340.416	LMGJXSRGYYKCAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092021
c12CN(Cc1sc(C(=O)OC)c2N=C=S)C(=O)OC(C)(C)C	EMOLS-id_48597065,MCULE-6211142664,PC-id_75481354	340.418	NFSBDFWLPIPQOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092022
c1(NC(=O)CS(=O)C(CC)C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_320677226,MCULE-8455673138	340.418	CXGTVDPCCRBZGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092023
c1(NC(=O)CS(=O)C(C)(C)C(=O)O)sc2c(CCC2)c1C#N	MCULE-1240779074,EMOLS-id_320643576	340.418	HRTXTCRTPIUREU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092024
c1(NC(=O)CS(=O)C(C)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_320676458,MCULE-4831221212	340.418	KICNXRMFTLAKEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092025
c1(NC(=O)CS(=O)CC(=O)OCC)sc2c(CCC2)c1C#N	EMOLS-id_320678506,MCULE-7700206455	340.418	CPPFFKGXNLLPQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092026
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCCC(=O)O	MCULE-5781772848,EMOLS-id_186648345	340.418	JSZKCOBDHCSKHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092027
Cc1ccc(o1)CNC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_97524521	340.418	WXEKJUKEBBOEKD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-092028
COc1ccc(OC)c(c1)S(=O)(=O)Nc1nc2CCCc2s1	MCULE-3093596882,PC-id_84563263,EMOLS-id_181478126	340.418	HWRFKQXMNNERBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092029
COC(=O)c1c(NC(=O)CN2CSCC2=O)sc2c1CCC2	ZINC22_89404249,EMOLS-id_45714985,MCULE-2602373423,PC-id_71904179	340.418	WZOBYSFUQPIOMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092030
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(c1)C#C	MCULE-9009634937,EMOLS-id_328222065	340.418	JZEKJJWHLATCDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092031
O=C(N(c1ccccc1)c1ccccc1)c1c(=C(C)C)n2c(c1)ccc2	PC-id_14945586	340.418	RISXSLPMGFOAEN-UHFFFAOYSA-N	00000000100000110000000010000000000000000000000000000000	25-01-092032
O=S(=O)(c1cccs1)N1Cc2c(C1)nc(o2)COCC1CC1	PC-id_97406048	340.418	KUNUIFAWEIJXKO-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-092033
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC(=O)NC)C(=O)OCC	PC-id_8771911	340.418	BDMFRGDTJUAEQE-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-092034
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC[NH+](C)C)C(=O)OC	PC-id_8069787	340.418	LAQLUYQSEFNHCF-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-092035
S1(=O)Cc2c(nn(c2OS(=O)(=O)c2ccccc2)C(C)C)C1	PC-id_59050187	340.418	YHYGZFMDVUXNRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092036
S1(=O)(=O)Cc2n(S(=O)(=O)c3ccc(cc3)C)nc(c2C1)CC	PC-id_11089102	340.418	GINNENPQYUDIFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092037
S(=O)(=O)(c1ccc(c(OC)c1)OC)Nc1snc2CCCc12	MCULE-1741337973,PC-id_54774349	340.418	ZKSPZAFLVKXKAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092038
c1(C(=O)N2CCN(CC2)c2ccc(cc2)OC)c2CCCc2n(C)n1	EMOLS-id_179745250,PC-id_110389062,MCULE-1390056764	340.419	VEJFBPAENBBYKB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092039
c1(C(=O)N2CCN(CC2)c2ccccc2OC)c2CCCc2n(C)n1	PC-id_110389038,MCULE-8269263646,EMOLS-id_179745178	340.419	OBHJHDYAUJFTBW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092040
c1(C(=O)Nc2ccc(cc2)CN2CCOCC2)c2CCCc2n(C)n1	EMOLS-id_320481805,MCULE-8040476405,PC-id_84467431	340.419	GFGMQTKASOPRCR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092041
c1(C(=O)NC2CCCCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-9091523753,EMOLS-id_316329266	340.419	FKGDGZQLXVILFG-KRWDZBQOSA-N	00000010100000101101000010000000000000000000000000000000	25-01-092042
c1(C(=O)NC2CCCCCC2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-9375700928	340.419	FKGDGZQLXVILFG-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-092043
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)CC(C)C)C2)n1	EMOLS-id_316333364,MCULE-5435816999	340.419	KJDKDFSXUIUHMW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092044
c1(C(=O)NCC2CCCCC2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316322620,MCULE-4753604482	340.419	YSWBXDFBBYZWAY-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092045
c1(C(=O)NCC2CCCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316326707,MCULE-9978566460	340.419	JZEQERGACPDXSI-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092046
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)CC(C)C)C2)n1	MCULE-5287123141	340.419	KJDKDFSXUIUHMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092047
c1(C(=O)NCC2CCCCC2)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-3462150176	340.419	YSWBXDFBBYZWAY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092048
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CC(C)C)Cc12	EMOLS-id_317422191,MCULE-1017101425	340.419	IWKDQDBJOHROSE-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092049
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CC(C)C)Cc12	MCULE-9162510831	340.419	IWKDQDBJOHROSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092050
c1(C(=O)N(CCC)CC2CC2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-6123983447,EMOLS-id_316341072	340.419	JBVNYBDTBNVLTC-KRWDZBQOSA-N	00100010100000101001000010000000000000000000000000000000	25-01-092051
c1(C(=O)N(CCC)CC2CC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-2069044233,EMOLS-id_316329265	340.419	NGHUHPHBHCVOEI-KRWDZBQOSA-N	00100010100000101001000010000000000000000000000000000000	25-01-092052
c1(C(=O)N(CCC)CC2CC2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-5507944457	340.419	NGHUHPHBHCVOEI-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-092053
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccc(cc2C)C)n1	MCULE-4315532533	340.419	DXSBRYITOTUONO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092054
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccc(cc2C)C)n1	MCULE-5066220413,EMOLS-id_316329788	340.419	DXSBRYITOTUONO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092055
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)Cc3ccccc3C)C2)n1	MCULE-5834992391,EMOLS-id_316326714	340.419	CJXXSYPAHXQWBO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092056
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)CCc3ccccc3)C2)n1	MCULE-1762547353,EMOLS-id_316327226	340.419	BUNDBMWQJVPCQE-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092057
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)Cc3ccccc3C)C2)n1	MCULE-9645797358	340.419	CJXXSYPAHXQWBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092058
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)CCc3ccccc3)C2)n1	MCULE-3231629688	340.419	BUNDBMWQJVPCQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092059
Cc1cc(ccc1NCc1cnc2n1CCC2)C(=O)N1CCOCC1	MCULE-3325973545,EMOLS-id_318180523	340.419	KBIDYVFSAFYYDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092060
Cc1ccc(cc1NCc1cnc2n1CCC2)C(=O)N1CCOCC1	MCULE-8531910554,EMOLS-id_318264913	340.419	UZLYQSKHMQVZKF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092061
Cc1ccc(C)c(NC(=O)CC(=O)N(C)Cc2[nH]nc3c2CCC3)c1	PC-id_50985007,MCULE-6868187014,ZINC22_71776501,EMOLS-id_32437636	340.419	JUTGDKLXQXSQRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092062
Cc1ccc(C(=O)CCC(=O)N(C)Cc2nnc3n2CCC3)cc1C	PC-id_53500209,ZINC22_42749719,EMOLS-id_35706590,MCULE-3249769411	340.419	SXSCUGVAOBELSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092063
Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1C	ZINC22_44934569,PC-id_94024437	340.419	MZRQMZASXHLYKX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092064
Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2nnc3n2CCC3)cc1C	ZINC22_44934572,PC-id_94024438	340.419	MZRQMZASXHLYKX-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092065
Cc1nnc2n1C[C@H](C(=O)N[C@H]1CC[C@H](Oc3ccccc3)CC1)C2	ZINC22_1875305280	340.419	ONMKDULVPACAJH-BFYDXBDKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092066
Cc1nnc2n1C[C@@H](C(=O)N[C@H]1CC[C@H](Oc3ccccc3)CC1)C2	ZINC22_1875305281	340.419	ONMKDULVPACAJH-ZOBUZTSGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092067
CCc1ccc(cc1)CCNC(=O)Cn1cnc2c1C(=O)C(N2C)C	SCHEMBL2696620,PC-id_67502550	340.419	KXHXXQIDTSGFQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092068
Cl[C@@H]1C[C@H](c2c1c(Br)sc2Br)Cl	PC-id_102378767	350.886	JEDSLVFNFSINJQ-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099532
CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@H]2Cc3cncn3C2)cc1	ZINC22_606444265	340.419	OOPMBLUKDRNUJM-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092069
CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@@H]2Cc3cncn3C2)cc1	ZINC22_606444268	340.419	OOPMBLUKDRNUJM-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092070
CCCC(=O)Nc1ccc(CC(=O)NCc2n[nH]c3c2CCC3)cc1	PC-id_46982888,MCULE-9662699022,ZINC22_55036500,EMOLS-id_31602028	340.419	DHUKDRFCRMVQIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092071
CC(C)Oc1cccc(/C=C/C(=O)NCCc2nnc3n2CCC3)c1	PC-id_53572448,ZINC22_66627008	340.419	KYRVEUXJKYWCFN-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092072
CC(Oc1cccc(c1)C=CC(=O)NCCc1nnc2n1CCC2)C	PC-id_72147485,EMOLS-id_36322688,MCULE-4122403559	340.419	KYRVEUXJKYWCFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092073
CC(Oc1cccc(c1)/C=CC(=O)NCCc1nnc2n1CCC2)C	PC-id_97518227	340.419	KYRVEUXJKYWCFN-HJWRWDBZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092074
Cn1nc2c(c1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)CCC2	EMOLS-id_33313555,MCULE-4300785290,PC-id_47777191,ZINC22_58417021	340.419	OCKIWHAFDSEEBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092075
Cn1ncc2c1CN(C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C2	ZINC22_585087729,MCULE-2915700539,EMOLS-id_177275494	340.419	LIDVFLQBUBXHOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092076
COc1ccc(C2(C(=O)NCc3nnc4n3CCC4)CCCC2)cc1	EMOLS-id_35745707,MCULE-2116753260,ZINC22_58790946,PC-id_53550646	340.419	LMKDZPUSMGOHRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092077
COc1ccc(cc1)C1(CCC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318257114	340.419	ANGOHYSKBHLLQN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-092078
COc1ccccc1C1(CCCC1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319108725	340.419	MWHUOBKMALZORQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092079
COc1cccc(c1)CC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319370158	340.419	CENPLXWYECGWHN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092080
COc1ccc(cc1)CN1CCC1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319017075	340.419	RQSPHXGWAXOVTK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-092081
COc1ccc(cc1)CN1CCC1C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_316629415	340.419	ZKFACVBGNHWKDU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-092082
COc1cccc(c1)CN1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_319284130	340.419	VHQCBWSORIOZJJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092083
COc1cccc(c1)CN1CCN(CC1)C(=O)c1nc2n(c1)CCC2	EMOLS-id_318967968	340.419	MDJQQIWAZMFCMQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092084
COc1cccc(c1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316608881	340.419	KLITVNLYJQRQKF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092085
COc1ccccc1N1CCC(C1=O)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318133393	340.419	PQTNQWORPFLQMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092086
COc1ccccc1N1CCCN(C(=O)c2cnn3c2CCC3)CC1	MCULE-7773249345,EMOLS-id_316975821,ZINC22_889477024,PC-id_136567474	340.419	MORPJBYPPZEANB-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-092087
O(C1CCCC1)C(C(=O)NCc1n2CCCc2nn1)c1ccccc1	MCULE-8028353231,PC-id_53563506,EMOLS-id_36318026	340.419	OLNYHVASHSZXQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092088
O=C(c1n[nH]c2c1CCC2)N1CCN(C[C@H](O)c2ccccc2)CC1	PC-id_95978147,ZINC22_75129240	340.419	OKDZBFGSIJFBNG-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092110
OC1CCN(C1)Cc1ccccc1CNC(=O)c1n[nH]c2c1CCC2	MCULE-9668990934,EMOLS-id_48826674,PC-id_75452688	340.419	VNAIPTJEHHQHDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092089
OC1CCN(CC1)c1ccc(cc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319247221	340.419	XSSWMVHIIHCQCH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092090
OC1CCN(CC1)c1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318829914	340.419	QFDMCCGZTVREKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092091
OC1CCN(CC1)Cc1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100568542	340.419	AAVGQUNIQUPUGB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092092
OC1CN(C(C1)CNC(=O)c1n[nH]c2c1CCC2)Cc1ccccc1	PC-id_109884882	340.419	DTTLBVFFKVLVMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092093
OC(c1ccccc1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_72044349,MCULE-4430462166,EMOLS-id_42962664	340.419	OKDZBFGSIJFBNG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092094
O=C(c1cccc(c1)CN1CCOCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_98932816	340.419	RZAPVCUDQKLSIQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092095
O=C(c1cccc(c1)CN1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319077150	340.419	DREJAYFCVYELJW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092096
O=C(c1ccccc1CN1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319268602	340.419	MAKJMBRGHWLAHI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092097
O=C(c1ccc(c(c1)C)N1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318819930	340.419	LHVLLHDNUFGYMF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092098
O=C(c1cccc(c1)CN1CCOCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_320112256,MCULE-6525448770	340.419	BGBRQIASTSPYTH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092099
O=C(c1cccc(c1C)NCc1cnc2n1CCC2)N1CCOCC1	EMOLS-id_318388994,MCULE-1412668458	340.419	NGEZCXDWJGPVIV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092100
O=C(c1ccc(c(c1)N1CCOCC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318919835	340.419	WLCRDFSVTOSOHB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092101
O=C(c1ccc[nH]c1=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109684	340.419	DBSQGJVXDCDLLI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092102
O=C(c1ccnc(c1)OC1CCCCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_98687331	340.419	MPJXVGJSZCDSFB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092103
O=C(C1Cn2c(C1)nnc2C)NC1CCC(CC1)Oc1ccccc1	PC-id_145901676	340.419	ONMKDULVPACAJH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092104
O=C(C1Cn2c(C1)nnc2C)N[C@@H]1CC[C@H](CC1)Oc1ccccc1	MCULE-5549132061,EMOLS-id_320394398	340.419	ONMKDULVPACAJH-XFBNRCLWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092105
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)Oc1c(C)cccc1C	EMOLS-id_319354159	340.419	ZXNABDWAMGCJSK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092106
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)OCCc1ccccc1	MCULE-5314272145,EMOLS-id_320163610	340.419	SXZDICGGYIHCJQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092107
O=C(C1NCc2c1c[nH]n2)NCC1(CCOCC1)c1ccccc1C	EMOLS-id_319061394	340.419	DWKODAAUHFSDQX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092108
O=C(c1nn2c(c1)CC(C2)Oc1ccncc1)NCC1CCCCC1	MCULE-3411980475	340.419	JZEQERGACPDXSI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092109
O=C(c1n[nH]c2c1CCC2)N1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC22_75129237,PC-id_95978146	340.419	OKDZBFGSIJFBNG-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092111
O=C(C1OCCN(C1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318831808	340.419	ZSVKPZPTGWPPDI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092112
O=C(C1(O)CCN(C1)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319005199	340.419	PBRVXTNOGZFBMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092113
O=C(C1OCCN(C1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319488460	340.419	VKRRKQOLLOVAIH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092114
O=C(C(C)(C)C)Nc1ccccc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320235438,MCULE-6749065648	340.419	CNWFSBGSHGFGTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092115
O=C(C(C)(C)C)Nc1ccccc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319459882	340.419	FVZWGRNTKBYZDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092116
O=C([C@@H]1NCc2n[nH]cc12)N1CCC(OCCc2ccccc2)CC1	ZINC22_1875287661	340.419	SXZDICGGYIHCJQ-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092117
O=C([C@H]1NCc2n[nH]cc12)N1CCC(OCCc2ccccc2)CC1	ZINC22_1875287662	340.419	SXZDICGGYIHCJQ-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092118
O=C(N1CCn2c1ncc2)Nc1cccc(c1)COC1CCCCC1	EMOLS-id_319665650	340.419	MZUMNOJPDXAIID-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092119
O=C(NC1Cc2n(C1)cnc2)CNC(=O)c1ccc(cc1)C(C)(C)C	MCULE-8799504679,EMOLS-id_177275560	340.419	OOPMBLUKDRNUJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092120
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(=O)[nH]c1	PC-id_92109683	340.419	OWNAZYQPTMSRPE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092121
O=C(Nc1ccccc1N1CCC(CO)CC1)c1n[nH]c2c1CCC2	MCULE-2667201290,EMOLS-id_48299196,ZINC22_95447778,PC-id_75394348	340.419	HSFVUIIYUBHRQA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092122
O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1n[nH]c2c1CCC2	PC-id_97349021,ZINC22_96006296	340.419	VNAIPTJEHHQHDB-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092123
O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1n[nH]c2c1CCC2	ZINC22_96006297,PC-id_97349022	340.419	VNAIPTJEHHQHDB-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092124
O=C(NCc1ccnc(OC2CCCCC2)c1)c1n[nH]c2c1CCC2	ZINC22_128839172,EMOLS-id_98442695,MCULE-5829142909	340.419	PMKCIMUOAMGWIF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092125
O=C(NC(c1n2CCCc2nn1)C)CCC(=O)c1cc(c(cc1)C)C	PC-id_45819127,MCULE-8009200261,EMOLS-id_31936174	340.419	MZRQMZASXHLYKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092126
O=C(NCc1nnc2n1CCC2)[C@H](OC1CCCC1)c1ccccc1	PC-id_95284380,ZINC22_69441109	340.419	OLNYHVASHSZXQW-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092127
O=C(NCc1nnc2n1CCC2)[C@@H](OC1CCCC1)c1ccccc1	ZINC22_69441107,PC-id_95284379	340.419	OLNYHVASHSZXQW-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092128
O=C(NCCc1nnc2n1CCC2)c1ccccc1OC1CCCC1	MCULE-4394344150,ZINC22_71896032,EMOLS-id_36969895,PC-id_56786832	340.419	YVGLYBILCIAKDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092129
O=C(NCCN1CCCC1)c1nc2CN(Cc3ccccc3)Cc2o1	ZINC22_96266011,EMOLS-id_44379850,PC-id_97525774	340.419	PKGREYJBGLHOBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092130
O=C(NN=Cc1ccc(OCCCCC)cc1)c1n[nH]c2CCCc12	PC-id_2039225	340.419	KLTZCXRJUWQZDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092131
OC(=O)C1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCC2	PC-id_122033401	340.419	SVHIHQHKLZALGX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092132
Cc1ccc(cc1)S(=O)(=O)N=S(=O)(n1nc2c(c1)CNC2)C	PC-id_118178932,SCHEMBL16841670	340.421	DXYKBCZCHUNKOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092133
CC(=O)NCc1ccc(s1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318042910	340.421	AVDDBILTFPEUNJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092134
CC(=O)NC(c1ccc(s1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_316724979	340.421	OUYCWFMAQKAFSX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092135
CC(=O)NCCc1ccc(s1)S(=O)(=O)N1CCn2c1ncc2	MCULE-6525672427,EMOLS-id_320089610	340.421	WNTANADGGPAQFA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092136
CNS(=O)(=O)c1csc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319921052,MCULE-5659657946	340.421	BKVVONSWEVJALN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092137
N#Cc1c(NC(=O)CC2(CC2)CS(=O)(=O)C)nc2n1CCS2	EMOLS-id_100168070	340.421	YGBWLDXLGIKNGL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-092138
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1c(C)n[nH]c1C	PC-id_16361903,CoCoCo_3532724,MCULE-2163650408,EMOLS-id_11807962,CoCoCo_3532723	340.421	XPOBTKSYEQGLLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092139
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)CCc1cccs1	PC-id_68441915,SCHEMBL2922277	340.421	QLNVTFWWOAHBER-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092140
O=S(=O)(N1Cc2c(C1)[nH]nc2COCc1nccs1)C1CC1	PC-id_97406035	340.421	DRTKXXTXRCNKJO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-092141
s1c2CCCc2nc1NC(=O)c1n(cc(S(=O)(=O)NC)c1)C	PC-id_33040940	340.421	GFQSWUBLNMUKSA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-092142
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1nccc(CN(C)C)n1	EMOLS-id_43267975,PC-id_110119090,BDE-33350678,MCULE-9233557798	340.423	ACZHLDUMBGZHMO-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-092143
c1(C(=O)NCc2cccnc2N2CCN(CC2)C)c2CCCc2[nH]n1	ZINC22_67755693,EMOLS-id_36596775,PC-id_56751701,MCULE-8275966088	340.423	HEZWORLTUIBWMH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092144
c1(N2CCCCC2)ncc(c(C)n1)C(=O)NCc1c2CCCc2[nH]n1	PC-id_56880989,ZINC22_71774672,EMOLS-id_232805546,MCULE-2847315454	340.423	JCAUAFMBWUMSQW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092145
Cc1cccc(c1)N1CCN(CC1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_35690242,PC-id_53504141,MCULE-2171686510	340.423	RNMVSQOGUFOUGQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092146
Cc1ccc(N(C)C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)nn1	PC-id_53595526,MCULE-3469321488,ZINC22_69699249,EMOLS-id_36683777	340.423	WGNADIWOOIZRQE-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092147
CC1CCN(CC1)c1ccc(cn1)CNC(=O)C1NCc2c1c[nH]n2	MCULE-3536063446,EMOLS-id_320284335	340.423	LDGSLPMKRFBOMM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092148
Cc1ccnc(c1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418732	340.423	FXUBCOQWFLVPIO-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092149
CCc1cc(N2CCC(NC(=O)c3cc4n(n3)CCC4)CC2)ncn1	EMOLS-id_316929113,ZINC22_295481568,MCULE-5222258656,PC-id_136545873	340.423	ZVXHDWVGCXAMJS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092150
C=CCOc1ccccc1CNC(=NC)NCc1nnc2n1CCC2	PC-id_111555163	340.423	ZMTQLLOIPXPPSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092151
Cn1c(c2CCCc2n1)NC(=O)C1CCC(CC1)Nc1ncccn1	PC-id_136585586	340.423	OCJVHJHMYXEQDZ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092152
CN1CCN(C(C1)c1ccccc1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_35718966,PC-id_53499584,MCULE-9367992431	340.423	UTUTYNFHFWCSBS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092153
CN1CCN(CC1)C(=O)c1nn(c2c1CN(C2)Cc1ccccn1)C	PC-id_97462021	340.423	NQQMYXHHHCAKNQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092154
CN1CCN(CC1)C(=O)c1nn(c2c1CN(C2)Cc1cccnc1)C	PC-id_97389068	340.423	YBXMAEAVNPPEMQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092155
CN1CCN(CC1)C(=O)c1n[nH]c2c1CN(C2)Cc1cccc(n1)C	PC-id_97411487	340.423	ZLGNPAIWPSIQOC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092156
CN1CCN(C(=O)NCc2nnc3n2CCC3)[C@H](c2ccccc2)C1	PC-id_95124255,ZINC22_65390705	340.423	UTUTYNFHFWCSBS-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092157
CN1CCN(C(=O)NCc2nnc3n2CCC3)[C@@H](c2ccccc2)C1	PC-id_95124256,ZINC22_65390706	340.423	UTUTYNFHFWCSBS-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092158
Cn1nc2c(c1NC(=O)[C@H]1CC[C@H](Nc3ncccn3)CC1)CCC2	MCULE-3484808775,EMOLS-id_316961179,ZINC22_930591948	340.423	OCJVHJHMYXEQDZ-JOCQHMNTSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092159
CNc1nccnc1CC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	BDE-33352797,MCULE-5185762051,PC-id_110119229,EMOLS-id_48418449	340.423	GWCWXXLVGULYNF-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092160
CNc1nccnc1C[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_257235029	340.423	GWCWXXLVGULYNF-GFCCVEGCSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092161
CNc1nccnc1C[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_257235030	340.423	GWCWXXLVGULYNF-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092162
CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_257200366	340.423	ACZHLDUMBGZHMO-HNNXBMFYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-092163
CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_257200367	340.423	ACZHLDUMBGZHMO-OAHLLOKOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-092164
O=C(C1NCc2c1c[nH]n2)NCc1ccnc(c1)N1CCCCCC1	MCULE-1388569676,EMOLS-id_320204765	340.423	RXAANHBTAZLMHO-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-092165
O=C(c1n[nH]c2c1CCC2)N(C1CCNCCC1)Cc1cncnc1	EMOLS-id_316117030,MCULE-8830110586	340.423	LRGIUZAIOLDESI-UHFFFAOYSA-N	00000010100000100101000010000000000000000000000000000000	25-01-092166
O=C(c1n[nH]c2c1CCC2)N(Cc1cncnc1)[C@H]1CCCNCC1	ZINC22_435411304	340.423	LRGIUZAIOLDESI-AWEZNQCLSA-N	00000010100000100101000010000000000000000000000000000000	25-01-092167
O=C(c1n[nH]c2c1CCC2)N(Cc1cncnc1)[C@@H]1CCCNCC1	ZINC22_435411306	340.423	LRGIUZAIOLDESI-CQSZACIVSA-N	00000010100000100101000010000000000000000000000000000000	25-01-092168
O=C([C@@H]1CC[C@@H](CC1)Nc1ccccn1)NC1CC(n2c1ncn2)C	EMOLS-id_319705138	340.423	HCCLCPQMXKPYLK-HFDVOGEKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092169
O=C([C@@H]1CC[C@H](CC1)Nc1cnccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_320164492,MCULE-4777207212	340.423	STQLPUCLHSLASC-JOCQHMNTSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092170
O=C([C@@H]1CC[C@H](CC1)Nc1ncccn1)NCc1cnc2n1CCC2	EMOLS-id_319312624	340.423	FSAFCXZRZXVYNS-HDJSIYSDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092171
O=C(NS(=O)(=O)C1C(=Nc2n1ccn2)Cl)Oc1ccccc1	PC-id_140059607	340.742	FSSFYNFVEGFQPU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-092381
O=C([C@@H]1CC[C@H](CC1)Nc1nccnc1)NCc1cnc2n1CCC2	EMOLS-id_319722074	340.423	OBWOVAFNSXQWSB-HDJSIYSDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092172
O=C(CN1CCN(CC1)c1ccccn1)NCc1n[nH]c2c1CCC2	EMOLS-id_319499729	340.423	LYYHTQQJILZCED-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092173
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)N1CCCCC1	EMOLS-id_319171562	340.423	LUQSUJYPRRVKOH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092174
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)N1CCCCC1	EMOLS-id_319335251	340.423	GFNIDPMKRPJYDN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092175
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1N1CCCCC1	EMOLS-id_319769395	340.423	VSXCYRXKZXKQHG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092176
O=C(N1CC(C1c1cccnc1)(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_100568812	340.423	MXMUASQJHBJGAN-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-092177
O=C(NC1CCN(C1)Cc1ccccc1)NCc1n2CCCc2nn1	EMOLS-id_35712562,MCULE-1539310664,PC-id_53506409	340.423	ORVOHBXSYAMSKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092178
O=C(Nc1c(N2CCCCC2)cccc1)NCc1n2CCCc2nn1	PC-id_52592968	340.423	QDPNYNKRSOUCQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092179
O=C(Nc1n(C)nc2c1CCC2)CN1CCN(CC1)c1ccccn1	EMOLS-id_99849497	340.423	SLFQGADEBFZNTK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092180
O=C(NC(C1CCCC1)c1ncccc1)NCc1n2CCCc2nn1	MCULE-8602186331,EMOLS-id_49059176,PC-id_84584916	340.423	LZJITVGMGXDLQZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092181
O=C(NCc1ccc(N2CCCC2)cc1)NCc1nnc2n1CCC2	ZINC22_44953160,MCULE-5172367534,EMOLS-id_31982182,PC-id_45827620	340.423	UTIVBGYKVHPBEF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092182
O=C(NCC1CCN(C1)c1ccccc1)NCc1n2CCCc2nn1	PC-id_45827617,MCULE-9853298260,EMOLS-id_31982176	340.423	QQFPXUVMRYJITK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092183
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)nc1	ZINC22_29785919,EMOLS-id_31896868,PC-id_37029302,CoCoCo_4806561,MCULE-5388517480	340.423	DHDGPJPARWLQNQ-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-092184
O=C(NCc1nnc2n1CCC2)N1CCC(Cc2cccnc2)CC1	ZINC22_95457423,MCULE-6182454274,PC-id_75440439,EMOLS-id_48312380	340.423	DBMUHTKLVMYCGF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092185
O=C(NCc1nnc2n1CCC2)N1CCN(Cc2ccccc2)CC1	PC-id_51075234,MCULE-6883981613,ZINC22_48302244,EMOLS-id_31871639	340.423	OXQUFUSULNSPLE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092186
O=C(NCc1nnc2n1CCC2)NC[C@H]1CCN(c2ccccc2)C1	PC-id_94028931,ZINC22_44953147	340.423	QQFPXUVMRYJITK-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092187
O=C(NCc1nnc2n1CCC2)NC[C@@H]1CCN(c2ccccc2)C1	PC-id_94028932,ZINC22_44953150	340.423	QQFPXUVMRYJITK-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092188
O=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(Cc2ccccc2)C1	PC-id_94160787,ZINC22_47964589	340.423	ORVOHBXSYAMSKQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092189
O=C(NCc1nnc2n1CCC2)N[C@H]1CCN(Cc2ccccc2)C1	ZINC22_47964587,PC-id_94160786	340.423	ORVOHBXSYAMSKQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092190
O=C(NCc1nnc2n1CCC2)N[C@@H](c1ccccn1)C1CCCC1	PC-id_97218313,ZINC22_95403621	340.423	LZJITVGMGXDLQZ-QGZVFWFLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092191
O=C(NCc1nnc2n1CCC2)N[C@H](c1ccccn1)C1CCCC1	ZINC22_95403622,PC-id_97218314	340.423	LZJITVGMGXDLQZ-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092192
CN=C(N1CCN(CC1)c1ccccn1)NCc1nnc2n1CCC2	PC-id_111220481	340.426	WPUZHPSEHJRODF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092193
c1(NC(=O)CCOC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9415099582,EMOLS-id_334391568	340.438	XEDKGMYBBGHIOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092194
c12C(C)(C)OC(C)(C)c1sc(NC(=O)c1ccc(cc1)C)c2C#N	TIMTEC520806,CoCoCo_557108,ZINC22_1421238,EMOLS-id_2507612,MCULE-4090870502,PC-id_1502441	340.439	WENXVMNKOCDFRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092195
c1(C(C)C)c(ccc(C(=O)Nc2sc3CCCc3c2C#N)c1)OC	MCULE-1598904482,EMOLS-id_327895735	340.439	PSUOWSCZIGPGES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092196
c1(NC(=O)c2ccc(cc2)OCCCC)sc2c(CCC2)c1C#N	CoCoCo_1661582,MCULE-5407272210,ZINC22_3191664,PC-id_2320993,EMOLS-id_2930038	340.439	SNMIDLUKOAVOFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092197
c1(NC(=O)c2cccc(c2)OCC(C)C)sc2c(CCC2)c1C#N	PC-id_4511740,MCULE-7630292451,EMOLS-id_322628418	340.439	UXSQIVXUCWMMAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092198
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C#N	PC-id_924843,EMOLS-id_322629186,MCULE-8597566370	340.439	AXLDXLMTIYEFFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092199
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NC	MCULE-3340296435	340.439	BFRQQHCEYPCHRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092200
c1(NC(=O)CCc2cccc(OCC)c2)sc2c(CCC2)c1C#N	MCULE-6810346736,EMOLS-id_322821159	340.439	BNLBANTUXCAGBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092201
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_322628929,MCULE-9729594026	340.439	OWIADQRNWLBOFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092202
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C#N	MCULE-2242206453,EMOLS-id_322613600	340.439	WAQBZTYORJAQEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092203
c1(NC(=O)CCOc2ccc(cc2)CC)sc2c(CCC2)c1C#N	PC-id_108807292,EMOLS-id_182636863,MCULE-2275597792	340.439	LXIUIUUHFBGIMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092204
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)c1C#N	MCULE-7065977088,EMOLS-id_322627393	340.439	VTKPSTQRVNCULN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092205
c1(NC(=O)COc2cc(C)cc(C)c2C)sc2c(CCC2)c1C#N	EMOLS-id_322612591,MCULE-4146917616	340.439	HRSCFSJNPOIXGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092206
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C#N	EMOLS-id_322627905,MCULE-9294498245	340.439	SHHXJXFBDGMSMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092207
c1(NC(=O)COc2cccc(C(C)C)c2)sc2c(CCC2)c1C#N	MCULE-7537103612,EMOLS-id_322612335	340.439	FTLZPYUBCWYKJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092208
c1(NC(=O)COCc2ccc(cc2C)C)sc2c(CCC2)c1C#N	EMOLS-id_181312377,PC-id_84407829,MCULE-3799315086	340.439	BEPKWIOWZUULMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092209
Cc1cccc(OCCCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-1067213534,EMOLS-id_327934191	340.439	NWWXGHKMLUZCFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092210
Cc1cc(NC(=O)c2cc3c(s2)CCC3)ccc1N1CCCC1=O	PC-id_17448756,MCULE-6280782816,CoCoCo_4533092,ZINC22_11747903,EMOLS-id_13483428	340.439	ADSJZKQAMFTVKZ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-092211
C(C)(C)(c1ccc(cc1)OC)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328247380,MCULE-2520646121	340.439	MTFKMRUDRXUAMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092212
CCOc1ccc(CCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-6246191945,EMOLS-id_322821415	340.439	OHGKESLYGSNAGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092213
CNC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2CCCc12	EMOLS-id_334329046	340.439	BFRQQHCEYPCHRA-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092214
COc1ccc(CCCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-4552963589,EMOLS-id_322819368	340.439	PNVIGXDZDULNTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092215
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCSC1=O	EMOLS-id_328213624,MCULE-9712616161	340.439	BSGCBOQTXKWKHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092216
O=C(c1sc2c(c1)CCC2)NC1CCN(C1=O)Cc1ccccc1	MCULE-8448780480,EMOLS-id_35742385,PC-id_53539396	340.439	QCWGMKVXCVBLBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092217
O=C(NC1CCCC1)c1cc2c(s1)CCN2C(=O)c1ccccc1	ZINC22_96146781,EMOLS-id_44303536,PC-id_97442308	340.439	HUOBQYXWONKSHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092218
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc2c(s1)CCC2	ZINC22_30479626,CoCoCo_4808946,MCULE-1049558986,PC-id_37590622,EMOLS-id_44089676	340.439	KDNNCDRNUPTUJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092219
O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc2c(s1)CCC2	PC-id_95138994,ZINC22_65474825	340.439	QCWGMKVXCVBLBS-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092220
O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc2c(s1)CCC2	ZINC22_65474826,PC-id_95138995	340.439	QCWGMKVXCVBLBS-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092221
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(=O)c1ccccc1	PC-id_31363141	340.439	QPTYDYRDZAVXJJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092222
s1c2CCCc2cc1C(=O)Nc1c(C(=O)N2CCCC2)cccc1	PC-id_51230687	340.439	NXMNTISAOPYLBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092223
s1c2CCCc2cc1C(=O)N(CCC#N)c1ccc(OCC)cc1	PC-id_78805616	340.439	AXNAGSXAOANYMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092224
s1c2CCCc2c(c1NC(=O)c1cc(OCCCC)ccc1)C#N	PC-id_4511576	340.439	POTGGVJINDDOQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092225
s1c2CCCc2c(c1NC(=O)COc1ccc(C(C)C)cc1)C#N	PC-id_924840	340.439	ZFRZAKABVUQJTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092226
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](NS(=O)(=O)C)C1)CCC	EMOLS-id_44440555,MCULE-6520343492,ZINC22_82121676,PC-id_70753264	340.441	OQGVVUXLLKZRJR-ZWNOBZJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092227
c1(NC(=O)C(C)(C)C)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138967,PC-id_30862288,CoCoCo_5277576,EMOLS-id_24913283,MCULE-7524663932	340.441	CSOAWIQRZIQGEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092228
c1(NC(=O)C(=O)NCCCOC)c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF2780-0693,CoCoCo_5184687,ZINC22_5438096,MCULE-4305707792,PC-id_7685468,EMOLS-id_5617864	340.441	NIWBNAGDOGEWBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092229
c1(NC(=O)C(=O)NC(C)COC)c2CSCc2nn1C(C)(C)C	PC-id_18584371,ChEMBL-DNDi_CHEMBLF2780-0699,MCULE-2466266259,EMOLS-id_5617872	340.441	GZAYWWMJHHYMML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092230
CC1CCCCN1C(=O)C(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100195185	340.441	AERJCORINVHYRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092231
CC1CC(CN1S(=O)(=O)c1cnc2n1CCC2)N1CCOCC1	EMOLS-id_98576440	340.441	USSBRPUDMNHOID-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-092232
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1CCC(O1)C1CC1	EMOLS-id_319545644	340.441	ZMZIQJBLNZAHJK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-092233
CCC[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1NS(=O)(=O)C	ZINC22_216279315	340.441	OQGVVUXLLKZRJR-GWCFXTLKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092234
CC(C(N1CCCS1(=O)=O)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319440658	340.441	ZGJFIYLBFKJCLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092235
CC(C(N1CCCS1(=O)=O)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318909371	340.441	WKCSMNIDGCVPKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092236
CCCN1CCN(C(C1=O)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100618781	340.441	NPVCDCAVEYMAHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092237
CC(CN1CCN(C(C1=O)C)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100612973	340.441	CRJMJHOFQMETLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092238
CCCNC(=O)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173923	340.441	DXKRCHRGFHKYBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092239
CC(C(=O)N1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100205314	340.441	UYHSFFAZQTZRJJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-092240
CCN(S(=O)(=O)C)C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110801398	340.441	PXSUYYFAHWHDTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092241
CCS(=O)(=O)N1CCC(CC1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_110789395	340.441	HUALURYXUYWIDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092242
CCS(=O)(=O)N1CCCC(C1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319830368	340.441	ASNFHYLFGAQAIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092243
CCS(=O)(=O)N1CCCC(C1)C(=O)NCc1nn2c(c1)CCC2	EMOLS-id_177313865,MCULE-3187583952	340.441	ZJGSIGOYNPQKIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092244
CCS(=O)(=O)N1CCCC(C1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318775710	340.441	QAGLCXOCHQTFIR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092245
CCS(=O)(=O)N1CCC(CC1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-1813830447,EMOLS-id_319950003	340.441	YUAYFJBSOXCLIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092246
CCS(=O)(=O)N(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_110801337	340.441	BLQCBDIAAVDCEZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092247
CN(CCC(=O)NCc1n[nH]c2c1CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_221312697,PC-id_100066906	340.441	NZOWTESLMUDCID-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092248
CN(CCC(=O)NCc1n[nH]c2c1CCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_221312751,PC-id_100066907	340.441	NZOWTESLMUDCID-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-092249
CN(CCC(=O)NCc1n[nH]c2CCCc12)C1CCS(=O)(=O)C1	EMOLS-id_50544913,MCULE-2134395074,PC-id_90652530	340.441	NZOWTESLMUDCID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092250
CN(C(=O)C1(CCCC1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100227205	340.441	XVCXYILSBBJNQE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092251
COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	CoCoCo_5184692,ZINC22_5438111,PC-id_7685480	340.441	GZAYWWMJHHYMML-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092252
COC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	PC-id_7685479,ZINC22_5438110,CoCoCo_5184691	340.441	GZAYWWMJHHYMML-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-092253
OCC1CN(CC(O1)(C)C)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_102170270	340.441	OFUGVXNCEAUTJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092254
O=C(C(C)(C)C)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173845	340.441	SEAGYEWVTUOQJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092255
O=C(C(C)C)NC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184397	340.441	JOACDJNOSMEKFX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092256
O=C(N(C1CCCCC1)C)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100228489	340.441	FGQVQUDLWWLQQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092257
O=C(N(C)C)CC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100229128	340.441	HCCNMUZZEHXDLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092258
O=S(=O)(c1cnc2n1CCC2)N1CCC(C1)CN1CCOCC1	EMOLS-id_100233496	340.441	PHOLNOXQMHACKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092259
O=S(=O)(c1cnc2n1CCC2)N1CCCC1CN1CCOCC1	EMOLS-id_303352834	340.441	JCMPPNLXPMXITB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092260
O=S(=O)(c1cnc2n1CCC2)N1CCC[C@H]1CN1CCOCC1	EMOLS-id_99358771	340.441	JCMPPNLXPMXITB-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092261
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)C1CCOCC1	EMOLS-id_100218382	340.441	GIROHYBIKYGNBF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-092262
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)CC1COCC1	EMOLS-id_100221037	340.441	LXLVLBMGAURFDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092263
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NC(CC)CO	PC-id_78524947	340.441	XHZQMEYJSBBIOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092264
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@@H](CC)CO	PC-id_7685476	340.441	XHZQMEYJSBBIOI-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-092265
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@H](CC)CO	PC-id_7685478	340.441	XHZQMEYJSBBIOI-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092266
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)CCCC	PC-id_44052971	340.441	SNYLYEFRZJQJSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092267
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)CC(C)C	PC-id_44052972	340.441	SQSVXHKQHWZKMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092268
S(=O)(=O)(NC1C(CN(C1)C(=O)c1n[nH]c2c1CCC2)CCC)C	PC-id_78081439	340.441	OQGVVUXLLKZRJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092269
Cc1ccc(OCc2nc(CN3Cc4cnn(C)c4C3)cs2)cc1	ZINC22_585136117,MCULE-4027375624,EMOLS-id_177314785	340.443	QXRATQJCBXCQTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092270
O=C(c1c(sc(c1C)C)n1cccc1)NCc1cnc2n1CCC2	MCULE-6674595636,EMOLS-id_319968215	340.443	LNMZNCZOKODSEU-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-092271
CN=C(N1CCS(=O)(=O)C(C1)(C)C)NCc1nnc2n1CCC2	PC-id_120061745	340.444	SAJQSYQQYVDLJY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092272
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1sc(c(c1)C)C	EMOLS-id_102154432	340.444	CTHPYTUBHQYAFP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092273
NC(=S)c1ccc(cn1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_114614293	340.444	VLXRZEKZENUREP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092274
NC(=S)c1ncccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106596920	340.444	FTRTTYNSZVDNCB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092275
s1c2c(CCC2)c(c1NC(=O)CSc1scnn1)C(=O)N	PC-id_2532001	340.444	AQSIKJABVATXOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092276
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)C(C)(C)C)n1	EMOLS-id_330996984,MCULE-9785601514	340.459	TYKPNSPIPBLTPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092277
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)CC(C)C)n1	MCULE-4116037568,EMOLS-id_330996728	340.459	XVYPQQPPULJXSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092278
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)CC(C)C	EMOLS-id_330977460,MCULE-8077889245	340.459	UHNNKLCGROKUAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092279
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)C(C)(C)C	EMOLS-id_330977716,MCULE-2164790471	340.459	VFRWIXCJCQEORA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092280
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C(C)C	EMOLS-id_330980285,MCULE-9286900258	340.459	AFYJLRQFJMPSJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092281
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)CCC	MCULE-5242332262,EMOLS-id_330980541	340.459	GLLKATKSADYZIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092282
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1c(C)cc(c(C)c1)C	EMOLS-id_330979773,MCULE-2592345917	340.459	LNLNOVFCKDEQQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092283
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(C(C)C)c1	MCULE-4285833350,EMOLS-id_330981552	340.459	QZLTXXPQBYOSOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092284
CCCCN(CCO)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338075,MCULE-2731765718	340.459	NVMUSPJCMWCPLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092285
CC(C)OCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5662914573,EMOLS-id_328213109	340.459	MQEXRQACKMOUOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092286
CCOC(=O)c1c2C(C)CCc2nn1C(C)c1c(C)cc(C)cc1C	MCULE-4415217890,EMOLS-id_330980029	340.459	CCVMSZOWYANGPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092287
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCCCO	MCULE-8108017188,EMOLS-id_328215673	340.459	QNKMEORZKTZGRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092288
Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)C(=O)c1n2CCCc2nc1	PC-id_34883717,CoCoCo_6271704	340.459	PKTRFVGLQAUAIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092289
c1(NC(=S)NCC2CCCO2)sc2c(CCC2)c1C(=O)OC	PC-id_4634750,TIMTEC593169,MCULE-1816943481,EMOLS-id_4020028	340.461	ZHJYFEZAQSNJDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092290
c1(NC(=S)NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)OC	CoCoCo_6184401,MCULE-1854158731,PC-id_4778781,EMOLS-id_3767780,SPECS-id_AT-084/J172127,SPECS-id_AN-153/I208979,TIMTEC470151,ZINC22_6883246	340.461	UABWWMHAYUNCJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092291
c1(NC(=S)NC(=O)CCCC)sc2c(CCC2)c1C(=O)OC	PC-id_4925664,MCULE-4756034116	340.461	ZBBLDQWMVBWTBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092292
c1(NC(=S)NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	ZINC22_4810703,SPECS-id_AT-084/J172108,MCULE-5149354600,EMOLS-id_2517211,SPECS-id_AN-329/42828851,CoCoCo_568924,SPECS-id_AN-153/I214455,TIMTEC34654,PC-id_2980386	340.461	AFFBILSSGXPTQB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092293
c1(NC(=S)NC(=O)C(C)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_4656835,SPECS-id_AT-084/J171871,EMOLS-id_3767450,SPECS-id_AN-329/40171574,SPECS-id_AN-153/I209366,CoCoCo_6184207,TIMTEC319828,PC-id_4778522,MCULE-6432917021	340.461	MULFUPIJWVJLPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092294
CCC(c1cccc(c1C)c1ccccc1)c1c2CC=C(c2n[nH]1)C=C	SCHEMBL20331146,PC-id_135180346	340.461	YQVQSEXXMYMZEF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-092295
CCOC(=O)N1CCC(CC1)NC(=O)c1sc2c(c1)CSC2	PC-id_122175622	340.461	LGGQSYHNWZDCDC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-092296
COC(=O)c1c(NC(=S)NC[C@@H]2CCCO2)sc2c1CCC2	PC-id_8748212,CoCoCo_6797963,ZINC22_7641507	340.461	ZHJYFEZAQSNJDR-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-092297
COC(=O)c1c(NC(=S)NC[C@H]2CCCO2)sc2c1CCC2	PC-id_8748221,CoCoCo_6797964,ZINC22_7641514	340.461	ZHJYFEZAQSNJDR-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092298
s1c2c(CCC2)c(c1NC(=O)NCCC[NH+](C)C)C(=O)OCC	PC-id_8034705	340.461	LRNCMAWVJSPDGH-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-092299
Cc1ccc(c2csc(NC(=O)c3cc4c(s3)CCC4)n2)cc1	ZINC22_12598829,CoCoCo_3247821,EMOLS-id_43821311,MCULE-9172530481,PC-id_16386658	340.462	CGCLUBIJECTSJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092300
Cc1nc(c2cccc(NC(=O)c3cc4c(s3)CCC4)c2)cs1	CoCoCo_3671308,ZINC22_8777424,PC-id_17410808,MCULE-8687715565,EMOLS-id_11933984	340.462	PSQDWVZVTCANLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092301
Cc1nc(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cs1	CoCoCo_4158643,PC-id_8533979,ZINC22_7437935,MCULE-3024565692,EMOLS-id_11886065	340.462	YSDDAWRTRCHWLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092302
Cc1nc(NC(=O)c2cc3c(s2)CCC3)sc1c1ccccc1	ZINC22_58391366,PC-id_51113871,MCULE-2383205315,EMOLS-id_33346659	340.462	WPQQHMIBFXWHDC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092303
O=C(c1sc2c(c1)CCC2)Nc1ncc(s1)Cc1ccccc1	PC-id_112767216	340.462	GNYJMNQJNHRNAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092304
s1c2c(CCC2)c(c1NC(=O)C[NH+](C(c1ccccc1)C)C)C#N	PC-id_74750971	340.462	OLLMICCHWYAITF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-092305
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccccc1)CC)C#N	PC-id_8541750	340.462	UFUQWOLCRGZDGA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-092306
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(cccc1)C)C)C#N	PC-id_8964548	340.462	KNJCEYKHUBFALF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-092307
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(cc1)C)C)C#N	PC-id_9025308	340.462	NSSNCZOJNIQBGW-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-092308
s1c2c(CCC2)c(c1NC(=O)C[NH+]([C@H](c1ccccc1)C)C)C#N	PC-id_41176944	340.462	OLLMICCHWYAITF-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-092309
s1c2c(CCC2)c(c1NC(=O)C[NH+]([C@@H](c1ccccc1)C)C)C#N	PC-id_41176946	340.462	OLLMICCHWYAITF-CYBMUJFWSA-O	00000010100000110000000010000000000000000000000000000000	25-01-092310
c1(CN2CCC(CC2)COc2ccnc(C)c2)c2CCCc2nn1C	ZINC22_1775995211,MCULE-7562274845,EMOLS-id_317457489	340.463	ILWCMGAUBXQLGQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092311
Cc1ccc(cc1)C(CN1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318189669	340.463	LHHXVYIBCTXCIO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092312
Cc1ccccc1C(NC1CC(n2c1ncc2)C)CN1CCOCC1	EMOLS-id_318093616	340.463	KXZCIZQGTOVUAC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092313
Cc1ccc(cc1)C(NC1CC(n2c1ncc2)C)CN1CCOCC1	EMOLS-id_318365235	340.463	KWZPMKWYUHVEFI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092314
CC1CCCC(C1)OCc1cccc(c1)NC1CC(n2c1ncn2)C	EMOLS-id_279085627	340.463	FZCOLDYUMCJUEZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092315
Cc1ccc(CCC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c(C)c1	PC-id_95310014,ZINC22_69630907	340.463	BBDQODVXVXUIGX-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092316
Brc1c(F)cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_47422271	341.199	SQHCEOCJRISDDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092446
Cc1ccc(CCC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)c(C)c1	PC-id_95310015,ZINC22_69630909	340.463	BBDQODVXVXUIGX-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-092317
CC(C(c1ccccc1)N1CCOCC1)NC1CC(n2c1ncc2)C	EMOLS-id_318012565	340.463	OMWVDRFQWKMNGQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092318
COc1ccccc1[C@H](CN[C@H]1CCc2n[nH]cc12)N1CCCCC1	ZINC22_1875312942	340.463	UWRPYLLXVJUQIK-HKUYNNGSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092319
COc1ccccc1[C@@H](CN[C@@H]1CCc2n[nH]cc12)N1CCCCC1	ZINC22_1875312944	340.463	UWRPYLLXVJUQIK-IEBWSBKVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092320
COc1ccccc1[C@H](CN[C@@H]1CCc2n[nH]cc12)N1CCCCC1	ZINC22_1875312946	340.463	UWRPYLLXVJUQIK-MJGOQNOKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092321
COc1ccccc1[C@@H](CN[C@H]1CCc2n[nH]cc12)N1CCCCC1	ZINC22_1875312947	340.463	UWRPYLLXVJUQIK-PKOBYXMFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092322
COc1ccc(cc1)C(N1CCCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_318083320	340.463	QWCLOQFZPCNWDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092323
COc1cccc(c1)C(N1CCCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_318364724	340.463	UQCBBXJZRFHSSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092324
COc1cccc(CN2Cc3c(CN4CCCCC4)nn(C)c3C2)c1	ZINC22_2055718059,EMOLS-id_313734354	340.463	AGAXWCUJNDCGEG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092325
O=C(c1cc(n(c1C)C1CCCCC1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_110789399	340.463	PETYDAOIVJOKEN-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-092326
O=C(C1NCc2c1c[nH]n2)NCC(c1ccc(cc1)C(C)(C)C)(C)C	EMOLS-id_319157158	340.463	LHUULGRTLSRBGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092327
O=C(C1NCc2c1c[nH]n2)NCCc1c(C)cc(cc1C)C(C)(C)C	MCULE-7646811267,EMOLS-id_320195356	340.463	JIARGDNMKRATED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092328
O=C(NC(c1n2CCCc2nn1)C(C)C)CCc1c(cc(cc1)C)C	PC-id_53589757,MCULE-9678972128,EMOLS-id_36359108	340.463	BBDQODVXVXUIGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092329
Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cnc3n2CCC3)s1	ZINC22_330019996	340.464	VZJRZWDFWMMLQV-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-092330
Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cnc3n2CCC3)s1	ZINC22_330019997	340.464	VZJRZWDFWMMLQV-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092331
Cc1nc(c(s1)C(N(S(=O)(=O)c1cnc2n1CCC2)C)C)C	MCULE-5436860599,EMOLS-id_100232269	340.464	VZJRZWDFWMMLQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092332
CC(Cc1csc(n1)NS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_97705403	340.464	POGXEIFTJRALSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092333
C#CCNS(=O)(=O)N1CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_316657690	340.464	BKTZANOAETXRFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092334
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCC[NH+](C)C	PC-id_7685486	340.464	KDVIRNSSTGKKCV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-092335
Cc1nc(C)nc(c1)N1CCCC(C1)NC(c1cc2n(n1)CCC2)C	EMOLS-id_318219936,MCULE-7528899776	340.466	ZOERCFMEUCNMER-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092336
Cc1nc(C)nc(c1)N1CCC(CC1)NC(c1cc2n(n1)CCC2)C	MCULE-3817370116,EMOLS-id_318213509	340.466	GJHBNCWYRGYXNK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092337
CC(C)CCN/C(=N/Cc1ccccc1)/NCc1nnc2n1CCC2	PC-id_71879093,ZINC22_78751970	340.466	QCAROSHWUMZWCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092338
CCCCNC(=NCc1ccc(cc1)C)NCc1nnc2n1CCC2	PC-id_111020291	340.466	OGBCRSZLLHEJQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092339
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)CC)C	PC-id_111282999	340.466	PLVADVFEFJGCFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092340
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)(C)C	PC-id_111020157	340.466	LWSTTWJZJNIPAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092341
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)C)C	PC-id_111621530	340.466	XCRCHFRTPXRKNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092342
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccc(c1)C)C	PC-id_111660203	340.466	XJSHUOFSULPQOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092343
CCNC(=NCc1nnc2n1CCC2)NCCc1cc(C)cc(c1)C	PC-id_111648710	340.466	LAPJMQVDOLBODJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092344
CCNC(=NCc1nnc2n1CCC2)NC(CCc1ccccc1)C	PC-id_111172289	340.466	DXEIHGGEOKHBPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092345
CN(C1CCN(CC1)c1ccc(nc1)NC1CC(n2c1ncc2)C)C	MCULE-5533953841,EMOLS-id_318358071	340.466	FWFNSICDVLTACM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092346
S1(=O)(=O)c2n(c(CCCCCCCCCCCC)cn2)C(=O)C1	PC-id_85679781	340.481	ASBRVVUPRHIFLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092347
CN(c1cccc(c1)C1CCCN1C(=O)c1sc2c(c1)CCC2)C	PC-id_86968731	340.482	LDIFMDBXQUATTJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-092348
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)c1cccc(c1C)C	PC-id_8892935,CoCoCo_3196611,EMOLS-id_257843917,MCULE-5208379100	340.482	RIZTUXWDTUZBSC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092349
O=C(C(c1ccccc1)C1CCCC1)Nc1sc2c(c1N)CCC2	SCHEMBL2666050,PC-id_67489254	340.482	UCWUJJKBXDAYNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092350
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2c(s1)CCC2	MCULE-2985022704,PC-id_51126948,EMOLS-id_33363523,ZINC22_58358222	340.482	KEUGZPIMTIFQAS-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-092351
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)Cc1c(cccc1)C	PC-id_9162530	340.482	AOZOVJVGUCYHFQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092352
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)Cc1cc(ccc1)C	PC-id_9163481	340.482	RSOLPKMRHMNCRE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092353
s1c2c(CCC2)cc1C(=O)NC1CCN(CC1)Cc1ccccc1	PC-id_29206633	340.482	QEFKQCHNVYJPAH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-092354
s1c2CCCc2cc1C(=O)NCc1ccc(CN2CCCC2)cc1	PC-id_9536291	340.482	NWQYTOXFOHUOKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092355
s1c2CCCc2cc1C(=O)NCc1c(CN2CCCC2)cccc1	PC-id_9142835	340.482	CGIZFTWEZHLONV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092356
CC1CCCN(C1)C(CNS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100203264	340.484	HVHIPABUNSKZPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092357
CC1CN(CC(C1)C)CC(NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100240510	340.484	LGQVLTYCSHOVHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092358
CC(CCN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100197036	340.484	RMHYMIWQNMRJMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092359
CC(CN(S(=O)(=O)c1cnc2n1CCC2)C1CCN(CC1)C)C	EMOLS-id_100188552	340.484	YWTMMOWASYLKKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092360
CC(CS(=O)(=O)N1CCC(CC1)NC1CC(n2c1ncc2)C)C	EMOLS-id_101412433	340.484	PNRTWTGNGDENRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092361
CCCS(=O)(=O)NC1CCN(Cc2c3c(nn2C)CCC3)CC1	MCULE-7773313285,PC-id_136568152,ZINC22_891591341,EMOLS-id_316970973	340.484	AQQZMOKQSRVKCH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092362
CN(C1(CCCCCC1)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100180208	340.484	VDQIAIXIZYCCBY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-092363
s1c2c(CCC2)c(c1NC(=S)N1CC[NH+](CC1)C)C(=O)OC	PC-id_51529079	340.484	OYMCSHVCLVJAIC-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-092364
s1c2c(CCC2)c(c1NC(=S)NCCCCCC)C(=O)OC	PC-id_19650811	340.504	RIWGDLDCCJSWFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092365
s1c2c(CCC2)c(c1NC(=S)N(CCC)CCC)C(=O)OC	PC-id_19653042	340.504	FGMMXCMCKNMGCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092366
s1c2c(CCC2)c(c1NC(=S)NC(C(C)(C)C)C)C(=O)OC	PC-id_19676408	340.504	AFJLKUYFVHEBOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092367
CCCCCc1ccc(cc1)C(NC(c1nnc2n1CCC2)C)CC	PC-id_75477963,EMOLS-id_48835534,MCULE-4908391062	340.506	GNKRTYNTCIBSJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092368
CCCCCc1ccc([C@@H](CC)N[C@@H](C)c2nnc3n2CCC3)cc1	PC-id_97306803,ZINC22_95940743	340.506	GNKRTYNTCIBSJZ-QFBILLFUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092369
CCCCCc1ccc([C@@H](CC)N[C@H](C)c2nnc3n2CCC3)cc1	PC-id_97306805,ZINC22_95940745	340.506	GNKRTYNTCIBSJZ-VQIMIIECSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092370
CCCCCc1ccc([C@H](CC)N[C@@H](C)c2nnc3n2CCC3)cc1	ZINC22_95940744,PC-id_97306804	340.506	GNKRTYNTCIBSJZ-LPHOPBHVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092371
CCCCCc1ccc([C@H](CC)N[C@H](C)c2nnc3n2CCC3)cc1	ZINC22_95940746,PC-id_97306806	340.506	GNKRTYNTCIBSJZ-APWZRJJASA-N	00000010100000110001000010000000000000000000000000000000	25-01-092372
CSC1CCCCN(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99889928	340.507	UKGMCIXSENJCLT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-092373
O=C(N1CCSC(CC1)(C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_100912683	340.507	ILJAUNZSGYVCEY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-092374
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCN1CCSCC1	EMOLS-id_102002115	340.507	HPNNPRFPEKNLEP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092375
S(C1(CCN(CC1)C(=O)c1sc2c(CCC2)c1)C(=S)N)C	PC-id_65992778	340.527	RAMDZMCEBXFFBB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-092376
C=CCOc1ccccc1[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	SCHEMBL2916673,PC-id_21880948	340.554	XPUOQKOSTTVERO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-092377
c1(C(=O)Nc2ccc(c(Cl)c2)Br)c2CCCc2[nH]n1	EMOLS-id_335141212,MCULE-8275869564	340.603	GJIKDUZICSVYJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092378
C[Si](C)(C)N(CCCn1c(c2CCCc2c1O)O)[Si](C)(C)C	PC-id_91059494	340.608	VRVUXUGAWMKVDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092379
OCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cl)F	SCHEMBL16624981,PC-id_117999660	340.741	ULZVJMNMFLXPDS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092380
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2920154,PC-id_68441196	340.785	AABSPKCWLDZQKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092382
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2920581,PC-id_68441336	340.785	MTMCNCQESPUJBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092383
Clc1c(C(=O)Nc2n[nH]c3CN(S(=O)(=O)C)Cc23)cccc1	PC-id_68442503,SCHEMBL2923678	340.785	IUJNBXBNOXRMGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092384
C/C=CC=C(/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)S(=O)CC#N)F)Cl	PC-id_138605411,SCHEMBL20967640	340.804	ZUYJANQRWPVHCC-GIEJIERUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092385
CC(C)NC(=O)C1CCCN(C1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960023	340.805	JZUFXJVMKRKOQT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092386
CC(C)NC(=O)C1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960024	340.805	MEUBVWCWPQTTSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092387
O=C(N1Cc2c(C1=O)ccs2)NCc1sccc1C(=O)Cl	PC-id_101543228	340.805	YTCHWDSCJLXENZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-092388
CC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2	CHEMBL4471314	340.807	BREBAPWKZBSKLD-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092389
Clc1ncc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cn1	PC-id_61053374	340.808	QCWZTRVOHDYMEQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092390
Clc1ccc(c(c1)C)S(=O)(=O)NCCc1nnc2n1CCC2	PC-id_51080463,MCULE-2014103223,EMOLS-id_31950113	340.828	HXEAWLGIPNORGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092391
Clc1cc(CNC2CC(n3c2ncn3)C)ccc1S(=O)(=O)C	EMOLS-id_258183843,MCULE-8753896925	340.828	OROHMAKEYFRSGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092392
OC(c1ccc(c(c1)F)Cl)CNC(c1sc2c(n1)CCC2)C	PC-id_110017326	340.843	QSVFXLVKPKPFBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092393
OCC(c1ccc(c(c1)F)Cl)NC(c1sc2c(n1)CCC2)C	PC-id_110017298	340.843	RRVLTARGBNIAJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092394
Clc1sc(C(=O)c2c3CCC(c3sc2C)CC(=O)O)cc1	PC-id_20213648,SCHEMBL10745612	340.845	MIFVMDSCVXIJCK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-092395
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590261,ChEMBL-DNDi_CHEMBLF1830-0041,MCULE-2456610664,PC-id_7474998,ZINC22_5055698,EMOLS-id_16349113	340.848	HOABJBYWKZCJPT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-092396
O=C(CCC(=O)c1ccc(Cl)s1)Nc1nc2c(s1)CCC2	EMOLS-id_33343155,MCULE-2476631658,PC-id_33040821,ZINC22_25769122,CoCoCo_4642633	340.848	CFRAVCRNPSZTKD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092397
Clc1c2n([NH+](C(NCOC3C(CCCC3)CC)C)C=N2)nc1C	PC-id_72614245	340.871	ZNPWQHZXSFJCPL-UHFFFAOYSA-O	00000011100010000001000010000000000000000000000000000000	25-01-092398
CS(=O)Cc1c(ccc(c1)NCc1nc2c(s1)CCC2)Cl	PC-id_86787806,EMOLS-id_49930978,MCULE-9018519733	340.891	BZDGSIZJFWMTNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092399
C[S@@](=O)Cc1cc(NCc2nc3c(s2)CCC3)ccc1Cl	PC-id_99853885,ZINC22_195559140	340.891	BZDGSIZJFWMTNI-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092400
C[S@](=O)Cc1cc(NCc2nc3c(s2)CCC3)ccc1Cl	PC-id_99853886,ZINC22_195559143	340.891	BZDGSIZJFWMTNI-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092401
CCC([C@H]1CCC2=NC(=NN12)C(=O)I)(F)F	PC-id_165399405	340.984	UGJZQISAODTQMT-RXMQYKEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092402
CC1=NN2C(=NN=C2SC)C1=NC3=CC(=C(C(=C3)Cl)O)Cl	PC-id_154214732	340.99	WYPOKXVLJQNXMN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-092403
CC[N+]1([O-])Cc2c(C1=O)c(sc2Br)Br	SCHEMBL17201480,PC-id_118468525	341.02	YMCHBSGOSAAXOB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092404
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC(=C(C=C3)F)F)Cl)[N+](=O)[O-]	PC-id_155278816	341.038	MGCKTPYNRLBMOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092405
Cc1c2N[Tl]=C(n2nc1C)C	PC-id_163965718	341.062	SLOCBKBOLBVCHS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-092406
CC(=O)N1C=C(C2=C1C(=O)C(=CC3=CC=CC=C3)S2)COC(=O)C	PC-id_165340978	341.072	GGTBKASRKJZESX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092407
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3)O)SC4=CNN=C4	PC-id_164872186	341.095	GREDVQLVXLSCFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092408
CC1=NN2CCN(C2=C1C(=O)O)CC3=CC=C(C=C3)OC(F)(F)F	PC-id_160069359	341.099	WBPBAVCQYONVNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092409
[O-][N+](=O)c1cn2CC(COc3ccc(Br)cn3)Oc2n1	EMOLS-id_320371633	341.118	CWSPBECCTLDRAD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092410
C1CC2=C(C1)SC(=N2)CN3CCC(CC3)NS(=O)(=O)C4CC4	ZINC22_1849783640,MCULE-5001060857,EMOLS-id_324151699,PC-id_154583221	341.123	VXIPTYJFAMEDPP-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-092411
C1CC(CN(C1)CC2=NC3=C(S2)CCC3)NS(=O)(=O)C4CC4	PC-id_154829594,MCULE-7316242851,EMOLS-id_324556352	341.123	RNUNHSHEPUFHJM-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-092412
O=C1CCc2c1cn(c2Br)S(=O)(=O)c1cccnc1	SCHEMBL16547945,PC-id_117935972	341.18	QWMGUNJSKZITPU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-092413
Brc1cc([N+](=O)[O-])c(Nc2sc3CCCc3n2)nc1	PC-id_61510347	341.184	OPPIVNDATSLBHQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092414
CCCCN1C=CC=C1C(=O)C2=C(C=C3N2CCC3C(=O)[O-])CCC	PC-id_153806072	341.187	LNWQRZRJORLTGC-UHFFFAOYSA-M	00000010110000000000000010000000000000000000000000000000	25-01-092415
O=C(C1NCc2c1c[nH]n2)NCC(c1cc(Cl)cc(c1)Cl)O	EMOLS-id_319841239,MCULE-7987642789	341.193	QMELQVFMIJLQJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092416
O=C(C1NCc2c1c[nH]n2)NCC(c1c(Cl)cccc1Cl)O	EMOLS-id_318932777	341.193	MMEREKJBASZSJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092417
O=C(C1NCc2c1c[nH]n2)NCCOc1cccc(c1Cl)Cl	MCULE-1544515295,EMOLS-id_319934606	341.193	JVZDNZLQXKWXPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092418
O=C(COc1ccc(Cl)c(Cl)c1)NCc1nnc2n1CCC2	MCULE-6068953501,CoCoCo_4806562,EMOLS-id_31896870,ZINC22_29785920,PC-id_37029303	341.193	OJFJGTVQLARLTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092419
CC1CCc2c1c(Br)nn2Cc1c(C)cc(F)cc1F	EMOLS-id_330973169,MCULE-4787655958	341.194	PQOHJWMSPKOSPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092420
CC1CCc2c1c(Br)nn2Cc1ccc(F)c(F)c1C	MCULE-4725659440,EMOLS-id_330972913	341.194	CRXMOVPKXNBNJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092421
CC1CCc2c1c(Br)nn2Cc1cc(F)cc(F)c1C	MCULE-8534978712,EMOLS-id_330972657	341.194	ZNMNMFLERMVUQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092422
CC1CCc2c1c(CBr)nn2Cc1cccc(F)c1F	MCULE-4054609524,EMOLS-id_331027215	341.194	KHPNCRNBBCPSPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092423
CC1CCc2c1c(CBr)nn2Cc1ccc(F)cc1F	EMOLS-id_331029518,MCULE-5689550447	341.194	STCWTVXZLJJEKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092424
CC1CCc2c1c(CBr)nn2Cc1ccc(F)c(F)c1	MCULE-1484799439,EMOLS-id_331029262	341.194	VNXKYYXHQAGWSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092425
CC1CCc2c1c(CBr)nn2Cc1cc(F)ccc1F	MCULE-1290224277,EMOLS-id_331027727	341.194	LYWNWYFKLNAUKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092426
CC1CCc2c1c(CBr)nn2Cc1cc(F)cc(F)c1	EMOLS-id_331029775,MCULE-5901268384	341.194	MOOLMMZYMPJMRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092427
CC1CCc2c1c(CBr)nn2Cc1c(F)cccc1F	MCULE-1736458725,EMOLS-id_331027471	341.194	NBSFNEOJGMDZGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092428
CC1CCc2nn(Cc3cccc(F)c3F)c(CBr)c12	MCULE-6930257990,EMOLS-id_331010233	341.194	LCAGKSRNPKAKPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092429
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(Br)c12	EMOLS-id_331016622,MCULE-4719955173	341.194	IMRKQJUJMCUHGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092430
CC1CCc2nn(Cc3ccc(F)cc3F)c(CBr)c12	EMOLS-id_331012536,MCULE-7865903713	341.194	UTRGARANHUPEBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092431
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(CBr)c12	EMOLS-id_331012280,MCULE-9878049199	341.194	RFPSEYFOTGAYDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092432
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(Br)c12	EMOLS-id_331016366,MCULE-4010934734	341.194	WFYHHCAHVADKEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092433
CC1CCc2nn(Cc3cc(F)ccc3F)c(CBr)c12	EMOLS-id_331010745,MCULE-5482448727	341.194	FNKAPYSSCYJOEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092434
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(CBr)c12	EMOLS-id_331012793,MCULE-8146103109	341.194	HAOUCWNIYIPPMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092435
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(Br)c12	MCULE-5570479489,EMOLS-id_331016110	341.194	OZAQZYJLODRHQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092436
CC1CCc2nn(Cc3c(F)cccc3F)c(CBr)c12	EMOLS-id_331010489,MCULE-6981876536	341.194	PHVDUQXDQAREBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092437
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1Br	EMOLS-id_331021987,MCULE-9915645423	341.194	JCHCWXUPTDABDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092438
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1Br	EMOLS-id_331021217,MCULE-7438861236	341.194	NZGIGQSQYWLFTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092439
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1Br	MCULE-2411016114,EMOLS-id_331021473	341.194	VTNBMVXCUWZENF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092440
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1Br	MCULE-1936379595,EMOLS-id_331021731	341.194	FYWVETHZADUPQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092441
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1Br	EMOLS-id_331021475,MCULE-9601545016	341.194	QYAQBNYUPJSAPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092442
Brc1c(C(=O)Nc2sc3CCCc3n2)cccc1F	PC-id_81509414	341.199	IHDDZZCWLHLIHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092443
Brc1c(C(=O)Nc2sc3CCCc3n2)ccc(F)c1	PC-id_47119157	341.199	GBRMITSJTZFNRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092444
Brc1c(C(=O)Nc2sc3CCCc3n2)cc(F)cc1	PC-id_47119152	341.199	JBPIWJBTSXCJBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092445
O=C(c1ccc(c(c1)Br)F)Nc1sc2c(n1)CCC2	PC-id_113244639	341.199	AKPNDIHXRADCHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092447
O=C(c1cccc(c1F)Br)Nc1sc2c(n1)CCC2	PC-id_106544385	341.199	PMHUSSBVAJIZQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092448
O=C(c1c(F)cccc1Br)Nc1sc2c(n1)CCC2	PC-id_113250726	341.199	GPGUEWJBVLMYKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092449
O=C(Nc1nc2c(s1)CCC2)c1cc(Br)ccc1F	EMOLS-id_12016747,ZINC22_8704853,CoCoCo_4164265,MCULE-5149365358,PC-id_17436018	341.199	SWNOHNOSAGKJMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092450
O=C(Nc1nc2c(s1)CCC2)c1ccc(Br)cc1F	EMOLS-id_24121586,MCULE-2416382767,ZINC22_12887496,PC-id_25578247,CoCoCo_4164341	341.199	OMJSZGPMCHSMRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092451
O=C(c1nn2c(c1Br)CCC2)N1CC(C1)NC1COC1	MCULE-7139386309,EMOLS-id_320171264	341.204	COFMYCXAOZGGOA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-092452
Brc1ccc(s1)CC(C(=O)N1Cc2c(C1)c[nH]n2)N	PC-id_69238177,SCHEMBL4910574	341.227	ZIFIUSLNZORRPB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092453
Brc1ccc(s1)C[C@H](C(=O)N1Cc2c(C1)c[nH]n2)N	SCHEMBL4910567,PC-id_69238173	341.227	ZIFIUSLNZORRPB-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092454
Brc1ccc(s1)C(=O)NC(c1nnc2n1CCC2)C	MCULE-4202763941,PC-id_53522940,EMOLS-id_36268862	341.227	MSQYMVYDPFYHAN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092455
Brc1c(scc1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_53501287,MCULE-3650907305,EMOLS-id_35713186	341.227	JNGWXWSIGKIOLN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092456
Brc1scc(c1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_35713184,MCULE-5458544346,PC-id_53520073	341.227	LURAYENSZUGWMO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092457
Cc1sc(c(n1)C(=O)NCc1n[nH]c2c1CCC2)Br	EMOLS-id_319530613	341.227	HHUFEIJEHPUFDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092458
C[C@H](NC(=O)c1ccc(Br)s1)c1nnc2n1CCC2	PC-id_93560077,ZINC22_40218104	341.227	MSQYMVYDPFYHAN-ZETCQYMHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092459
C[C@@H](NC(=O)c1ccc(Br)s1)c1nnc2n1CCC2	PC-id_93560078,ZINC22_40218105	341.227	MSQYMVYDPFYHAN-SSDOTTSWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092460
C[C@@H](NC(=O)c1csc(Br)c1)c1nnc2n1CCC2	PC-id_93318536,ZINC22_37505925	341.227	LURAYENSZUGWMO-SSDOTTSWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092461
C[C@H](NC(=O)c1csc(Br)c1)c1nnc2n1CCC2	ZINC22_37505924,PC-id_93318535	341.227	LURAYENSZUGWMO-ZETCQYMHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092462
C[C@@H](NC(=O)c1sccc1Br)c1nnc2n1CCC2	PC-id_94166725,ZINC22_48129725	341.227	JNGWXWSIGKIOLN-SSDOTTSWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092463
C[C@H](NC(=O)c1sccc1Br)c1nnc2n1CCC2	ZINC22_48129723,PC-id_94166724	341.227	JNGWXWSIGKIOLN-ZETCQYMHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092464
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Br)s1	EMOLS-id_31936698,MCULE-8823964558,ZINC22_40218113,PC-id_51079873	341.227	NSZURIPIAVGXGO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092465
CN(Cc1nnc2n1CCC2)C(=O)c1csc(Br)c1	ZINC22_37505933,EMOLS-id_35713470,MCULE-2031619158,PC-id_53499374	341.227	PFOCJTZQYSKMFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092466
CN(Cc1nnc2n1CCC2)C(=O)c1sccc1Br	PC-id_53498587,ZINC22_48340693,EMOLS-id_35713472,MCULE-5347949486	341.227	JOKJNQBSRKMHRA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092467
CN(C(=O)c1c(Br)nc2n1CCC2)Cc1ccns1	EMOLS-id_278437615	341.227	HAFLYESAOGQRIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092468
O=C(c1c(Br)snc1C)NCc1cnc2n1CCC2	EMOLS-id_318386247	341.227	PIKPMRJYKKKBSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092469
O=C(c1c(Br)snc1C)NCc1nn2c(c1)CCC2	EMOLS-id_319305718	341.227	PHLWXCDVVNACNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092470
O=C(c1c(Br)snc1C)NCc1n[nH]c2c1CCC2	EMOLS-id_318955471	341.227	PJYHBJNUSPCCEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092471
O=C(C1NCc2c1c[nH]n2)N(Cc1ccc(s1)Br)C	EMOLS-id_318846846	341.227	VHAMUKMDPMJYQK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092472
O=C(C1NCc2c1c[nH]n2)N(Cc1csc(c1)Br)C	EMOLS-id_318779869	341.227	ZWVBMPLYHJDIJG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092473
O=C(C1NCc2c1c[nH]n2)NCCc1ccc(s1)Br	EMOLS-id_319051672	341.227	DUMULXGRRTVSPZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092474
O=C(c1n(C)nc2c1CCC2)NCc1sncc1Br	EMOLS-id_319277535	341.227	AMWKWVJILNAPRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092475
Brc1ccc(c(c1)CC(c1sc2c(c1)CCC2)O)F	PC-id_115784813	341.238	ONGZZEVGMMWPBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092476
Brc1ccc(c(c1)F)CC(c1sc2c(c1)CCC2)O	PC-id_115788406	341.238	VMCWTTBYOJGHIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092477
BrC(c1sc2c(CCC2)c1)c1cc(F)c(OC)cc1	PC-id_63442626	341.238	OGNRTMFTXNFKMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092478
BrC(c1sc2c(CCC2)c1)c1c(F)cc(OC)cc1	PC-id_63443323	341.238	NYCUWLBEGRCCEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092479
BrC(c1sc2c(CCC2)c1)c1c(OC)ccc(F)c1	PC-id_63441124	341.238	WTKQFGUNXOSAOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092480
Fc1ccc(c(c1)Br)CC(c1sc2c(c1)CCC2)O	PC-id_115786729	341.238	NUOMHTKEDQGJBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092481
Fc1cc(cc(c1)Br)CC(c1sc2c(c1)CCC2)O	PC-id_115822645	341.238	CWPFPXBELYJFQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092482
Fc1ccc(c(c1)CC(c1sc2c(c1)CCC2)O)Br	PC-id_115787408	341.238	MQNBQJTZWIWOBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092483
OC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Br)F	PC-id_115779553	341.238	UQLGOWLLRGNCDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092484
OC(c1sc2c(c1)CCC2)Cc1cccc(c1Br)F	PC-id_115826399	341.238	FLUSSUHPHAQFQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092485
Brc1cc(C(NC)c2sc3CCCc3n2)ccc1F	PC-id_61331564	341.242	DAQRKQXZOMGJGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092486
Brc1cc(C(NC)c2sc3CCCc3n2)c(F)cc1	PC-id_61331563	341.242	SNPDFMKHYAUOGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092487
Brc1cc(F)c(C(NC)c2sc3CCCc3n2)cc1	PC-id_61331964	341.242	AMHXUKQAACTCBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092488
Brc1c(F)cc(C(NC)c2sc3CCCc3n2)cc1	PC-id_81437397	341.242	YWNKAMRIVDYDNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092489
CNC(c1ccc(cc1Br)F)c1sc2c(n1)CCC2	PC-id_108264006	341.242	VGULAAINRFSYTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092490
CNC(c1cc(F)ccc1Br)c1sc2c(n1)CCC2	PC-id_108404377	341.242	FULHYRGGXAZQOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092491
NNC(c1cc(Br)ccc1F)c1sc2c(c1)CCC2	PC-id_113703273	341.242	MVZKLGXSFLCDOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092492
NNC(c1cccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_113860016	341.242	PQOZZRAFIZNQTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092493
c12ncnn1C(C(=O)N2)CC(=O)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_17108114,PC-id_135635986,STOCK6S-52243,MCULE-3005241549	341.245	JNEZJBMTZITZFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092494
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1cccc(OC(F)(F)F)c1	PC-id_135904026,ZINC22_13725101	341.245	JNEZJBMTZITZFM-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092495
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1cccc(OC(F)(F)F)c1	ZINC22_13725105,PC-id_135904027	341.245	JNEZJBMTZITZFM-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-092496
CN([C@@H]1CCC[C@H]1NC(=O)c1nn2c(c1Br)CCC2)C	EMOLS-id_319026776	341.247	QZFBINTYRPPFAV-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092497
O=C(NCCN1CCCCC1)c1c(Br)nc2n1CCC2	MCULE-8677533249,ZINC22_521394674,EMOLS-id_177280735	341.247	ADVKIVQJFWLLET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092498
Clc1c(C(=O)c2sc3CCCc3c2)cc(Cl)c(OCC)c1	PC-id_81833624	341.252	SBQRMMIMPCFPEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092499
C1Cc2c(C1C(=O)NC(Cc1ccc(cc1)Cl)Cl)scn2	PC-id_90303273,SCHEMBL15903329	341.255	TZQQMNNNOUKFKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092500
Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCc2ncsc12	PC-id_76853227,SCHEMBL15903793,BindingDB-id_412901,BindingDB_PC-id_76853227	341.255	ZYYPYPOILCSKFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092501
Clc1ccc(CCNC(=O)C2CCc3ncsc23)c(Cl)c1	SCHEMBL15903328,PC-id_78318355,BindingDB_PC-id_78318355,BindingDB-id_412902	341.255	ACUXUGDOXORIDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092502
Clc1cc(C(=O)NCc2sc3CCCc3c2)cc(Cl)c1N	PC-id_82812054	341.255	CBKKCULUGIFYRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092503
Clc1cc(C(=O)NCc2sc3CCCc3c2)cc(N)c1Cl	PC-id_61207010	341.255	FZWMBGOLBISMEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092504
Clc1sc2CCC(Nc3cc(ccc3Cl)C(=O)NC)c2c1	PC-id_81235057	341.255	QOHPQWJHFUKQDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092505
Clc1sc2CCC(Nc3cc(c(Cl)cc3)C(=O)NC)c2c1	PC-id_81246409	341.255	KKZARQFDVWOVKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092506
Clc1sc2CCC(Nc3cc(Cl)c(NC(=O)C)cc3)c2c1	PC-id_81233603	341.255	UZFDHILOHKUPED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092507
Nc1cc(Cl)c(c(c1)C(=O)NCc1sc2c(c1)CCC2)Cl	PC-id_107184666	341.255	MESGVISEWGJGLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092508
ClC(=CC1Sc2n(N1)c(nn2)CCC)c1ccc(Cl)cc1	PC-id_10688573	341.259	NIFVGPYKPGZMPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092509
CCCn1ncc(c1C(c1sc2c(c1)CCC2)O)Br	PC-id_115835012	341.267	YDRFAQCKWZJRQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092510
CC(n1ncc(c1C(c1sc2c(c1)CCC2)O)Br)C	PC-id_115835312	341.267	OHASMRHPGNMPAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092511
OC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Br)C	PC-id_115814383	341.267	XDYYMDLDYNVKQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092512
Brc1c(scc1)C(NC(c1n2CCCc2nn1)C)C	PC-id_43791523	341.27	HNSUOEXRJLVFGG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092513
Brc1csc(c1)C(NC(c1nnc2n1CCC2)C)C	PC-id_107354236	341.27	ARNRRNUSBPQWQM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092514
Brc1sc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_54897982	341.27	NWSKZYOPJRDHAK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092515
Cc1cc(c(s1)CNC(c1nnc2n1CCC2)C)Br	MCULE-8782071496,EMOLS-id_318158940	341.27	KXYSWSNIUKNORJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092516
CC(c1nnc2n1CCC2)NCc1cc(c(s1)C)Br	PC-id_102834007	341.27	SVKRVVGULBGNRJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092517
CCn1ncc(c1C(c1sc2c(c1)CCC2)NN)Br	PC-id_105336144	341.27	JYYRWBGRLYXCEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092518
CCNC(c1n(C)nnc1Br)c1sc2c(c1)CCC2	PC-id_106464735	341.27	OFTQAKJTOHRMHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092519
N#Cc1c(CC(=O)C(C(F)(F)F)C(F)(F)F)sc2c1CCC2	PC-id_58811450,SCHEMBL14581219	341.272	TZQVLBZRBGTYTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092520
CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc2n(n1)CCO2	EMOLS-id_316787172,ZINC22_368259105,MCULE-3686431696	341.285	OHAMQZKBZFWUBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092521
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc2n(n1)CCO2	ZINC22_290645391,MCULE-5370503393,EMOLS-id_316791531	341.285	ZBWANRSMAZFFPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092522
COc1cccc(c1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740164	341.285	NPCRAUFCXOYMRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092523
COc1ccc(cc1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740382	341.285	OKMVNCIXTLGCHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092524
COC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1cccc(c1)C(F)(F)F	SCHEMBL19584036	341.285	YAIIQVHRRWNKDL-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-092525
O=C(c1cccc(c1OC(F)(F)F)O)NCc1cnc2n1CCC2	EMOLS-id_318895425	341.285	JRATXYICWDTWAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092526
O=C(c1cccc(c1OC(F)(F)F)O)NCc1n[nH]c2c1CCC2	MCULE-1036408978,EMOLS-id_320190482	341.285	GAROXRNNIWGBCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092527
O=C(C(C(C(F)(F)F)(c1ccccc1)O)O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319076596	341.285	ZTOVXQQLVNRLMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092528
O=C(C(C(C(F)(F)F)(c1ccccc1)O)O)N1CCn2c1ccn2	EMOLS-id_278805619	341.285	GRNPCWTXWRIZLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092529
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)Nc1ccc(c(c1)O)O	EMOLS-id_319666046	341.285	LBODPCVVINNRFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092530
CC(c1nnc2n1CCC2)NC(=O)c1c[nH]c(=O)c(c1)C(F)(F)F	MCULE-9378187861,PC-id_136562729,EMOLS-id_316962705	341.288	ISOYSUGVQNHCID-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092531
C[C@@H](NC(=O)c1cnc(O)c(C(F)(F)F)c1)c1nnc2n1CCC2	ZINC22_930483972	341.288	ISOYSUGVQNHCID-SSDOTTSWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092532
C[C@H](NC(=O)c1cnc(O)c(C(F)(F)F)c1)c1nnc2n1CCC2	ZINC22_930483973	341.288	ISOYSUGVQNHCID-ZETCQYMHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092533
Cn1[nH]c(=NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)ccc1=O	ZINC22_1875276070	341.288	JSLUXCPLBPCHJH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092534
COc1cncnc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_1650238250	341.288	HGIZEFRZLZLCGN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092535
COc1cnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nc1	ZINC22_1772128873,PC-id_146142876	341.288	WGKLLLXYUDSYNY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092536
FC(F)(F)Oc1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_52950335,SCHEMBL12655376	341.288	MQZCFKYOKMLAMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092537
FC(Oc1ccc(c(c1)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319045013	341.288	WLONCESZHLVJFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092538
FC(Oc1ccc(cc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319127395	341.288	XMLLRVAAMXVWIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092539
FC(Oc1ccc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F)F	EMOLS-id_319490157	341.288	XUBUKFGBYAXUHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092540
FC(Oc1cc(F)ccc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319335722	341.288	IUBZZHVWCXDFCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092541
O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1nnc2n1CCC2	ZINC22_65625535,PC-id_53520657,MCULE-8316354368,EMOLS-id_35688202	341.288	FQBVVRHSSMGCJW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092542
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)OC(F)(F)F	EMOLS-id_257949165,MCULE-1187608146	341.288	ONACRGCUIOHZKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092543
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_319618239	341.288	NXWMHAHCXSCWEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092544
O=C(NCc1nnc2n1CCC2)c1cccnc1OCC(F)(F)F	ZINC22_24861188,CoCoCo_4782705,PC-id_32178789,MCULE-4965888153,EMOLS-id_31888480	341.288	JPMHGZJTXMIEBY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092545
O=C(NCc1nnc2n1CCC2)Nc1ccccc1OC(F)(F)F	MCULE-8270535733,ZINC22_43879120,EMOLS-id_36633792,PC-id_52195572	341.288	VUXSKMJMZJJNKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092546
O=C(NCc1nnc2n1CCC2)Nc1cccc(OC(F)(F)F)c1	MCULE-2912962972,PC-id_52197760,ZINC22_44017949,EMOLS-id_36633906	341.288	NRAXUTAGLVMWOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092547
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nnc2n1CCC2	ZINC22_78389592,PC-id_71900132,EMOLS-id_43641136,MCULE-7009595416	341.288	SZQHDHANSSHHER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092548
CCCNC(c1cc(Cl)ccc1Cl)c1sc2c(n1)CCC2	PC-id_108390092	341.299	ZAASFQRQWPOZEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092549
CC(NC(c1cc(Cl)ccc1Cl)c1sc2c(n1)CCC2)C	PC-id_108390098	341.299	SYDUSRRKZCGBFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092550
Clc1cc(C(NC(C)C)c2sc3CCCc3n2)ccc1Cl	PC-id_61334644	341.299	JADTXZSBWHWTMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092551
Clc1cc(C(NCCC)c2sc3CCCc3n2)ccc1Cl	PC-id_61335765	341.299	LAPYSZUFCZSXNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092552
Clc1cc(C(NC(C)C)c2sc3CCCc3n2)cc(Cl)c1	PC-id_61333660	341.299	UFNAPTTWMKUSER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092553
Clc1cc(C(NCCC)c2sc3CCCc3n2)cc(Cl)c1	PC-id_61334794	341.299	DGWWNDXYLKSDLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092554
Clc1c(C(NC(C)C)c2sc3CCCc3n2)cccc1Cl	PC-id_61335232	341.299	GNQAGEVVMBWBDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092555
Clc1c(C(NCCC)c2sc3CCCc3n2)cccc1Cl	PC-id_61335768	341.299	XXHGBOQNSYXCCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092556
Clc1c(C(NCCC)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_61333809	341.299	CUUNIKVQUDCQJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092557
Clc1c(C(NC(C)C)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_61335812	341.299	PLBODKPDMAKHRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092558
Clc1c(C(NCCC)c2sc3CCCc3n2)c(Cl)ccc1	PC-id_61333230	341.299	AADYPRTUGAPWNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092559
Clc1c(C(NC(C)C)c2sc3CCCc3n2)c(Cl)ccc1	PC-id_61335809	341.299	RYBROUOOGVVJDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092560
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCc2ccc(cc2)F)n1	ChEMBL-DNDi_CHEMBL1890030,CoCoCo_224971,EMOLS-id_1359685,PC-id_648382,SCHEMBL1007771,BAS-01939644,ZINC22_303754,MCULE-3518679792	341.303	YWNGFVXNLDCJNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092561
c1(C(=O)N)c2C(C)CCc2n(Cc2c(cccc2C(F)(F)F)F)n1	EMOLS-id_331037445,MCULE-2574533251	341.303	DIVUZEAKAGNKAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092562
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2C(F)(F)F)F)n1	EMOLS-id_331037701,MCULE-8897506006	341.303	UOJOKKWCTKNPMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092563
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2F)C(F)(F)F)n1	EMOLS-id_331035141,MCULE-7389410478	341.303	VHGABOUAPXHHCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092564
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(C(F)(F)F)c2)F)n1	MCULE-8724933584,EMOLS-id_331035654	341.303	QHSJICRPJPODGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092565
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(C(F)(F)F)c2F)n1	MCULE-9732633164,EMOLS-id_331035398	341.303	RCUFONKEGFPSGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092566
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(F)c2)C(F)(F)F)n1	EMOLS-id_331035397,MCULE-3759806660	341.303	SCVXNTTWNRAMCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092567
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)cc(c2)C(F)(F)F)n1	EMOLS-id_331035910,MCULE-1180732980	341.303	VAFIRHSQIQYXFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092568
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)ccc2C(F)(F)F)n1	EMOLS-id_331037957,MCULE-7351383136	341.303	AUPXBVCDHRKIIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092569
c1(C(=O)N)c2C(C)CCc2n(Cc2c(F)ccc(c2)C(F)(F)F)n1	EMOLS-id_331036166,MCULE-5627260582	341.303	PYTMDCMQHUMIKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092570
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1C(F)(F)F)F	MCULE-1946688004,EMOLS-id_331015615	341.303	GXWMPNZVVUBTTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092571
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_331017150,MCULE-5361812561	341.303	MRDHUCAQOGMIKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092572
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(C(F)(F)F)c1)F	EMOLS-id_331017663,MCULE-1854688346	341.303	YLDMHFCBGRGRBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092573
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(C(F)(F)F)c1F	MCULE-3336070380,EMOLS-id_331017407	341.303	BFYHICUFWDGNFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092574
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(F)c1)C(F)(F)F	MCULE-6261769611,EMOLS-id_331017406	341.303	IMDNCEHUZHJXNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092575
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_331015871,MCULE-6443768757	341.303	CCGMQXQMKGRNFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092576
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)cc(c1)C(F)(F)F	MCULE-7979493883,EMOLS-id_331017919	341.303	MRTKLBWNIKUUPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092577
c1(C(=O)N)c2C(C)CCc2nn1Cc1c(F)ccc(c1)C(F)(F)F	MCULE-1930408845,EMOLS-id_331018175	341.303	XOYUNCSVTZABPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092578
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(C(=O)N)c12	EMOLS-id_331015359,MCULE-3609939696	341.303	DFDINNXRNSMKRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092579
c1(NC(=O)c2ccc(c(F)c2F)F)sc2c(CCC2)c1C(=O)O	MCULE-2226070662,EMOLS-id_179129593,PC-id_28860348	341.305	MXCQGKXSQZQMFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092580
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324909062	341.308	JAEASNRRYXKGDL-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-092581
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324908043	341.308	DKTBCTRTSFOBTM-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-092582
COCc1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324901890	341.308	ZUXOWGIWISAQNZ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-092583
COCc1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324902402	341.308	VPRKTSIVJSENTH-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-092584
n12c(=O)c(=Cc3cccc(OCC)c3)sc1nc(C(F)(F)F)n2	MCULE-2980287087	341.308	DKTBCTRTSFOBTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-092585
n12c(=O)c(=Cc3ccc(OCC)cc3)sc1nc(C(F)(F)F)n2	MCULE-3389964887	341.308	JAEASNRRYXKGDL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-092586
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COC	MCULE-1250845872	341.308	VPRKTSIVJSENTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-092587
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COC	MCULE-5557829482	341.308	ZUXOWGIWISAQNZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-092588
C1Cc2c(C1)n([nH]c2=O)C(=O)CCc1nc(no1)c1ncc(cc1)O	SCHEMBL13225481,PC-id_135914606	341.321	HMHPYPQFHGJFIO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-092589
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(n2ccnc2)cc1)C	SCHEMBL5536846,PC-id_69479697	341.321	NLBHODUWMMWUIC-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092590
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(n2ccnc2)cc1)C	SCHEMBL5536853,PC-id_23081288	341.321	NLBHODUWMMWUIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092591
O=c1[nH]n(c2CCCc12)C(=O)CCC1=N/C(=C/2N=CC(=O)C=C2)/NO1	PC-id_25025249	341.321	JPRCVXBUMGFYPQ-RVDMUPIBSA-N	00000011100011000001100010000000000000000000000000000000	25-01-092592
O=c1[nH]n(c2CCCc12)C(=O)CCC1=NC(=C2N=CC(=O)C=C2)NO1	PC-id_70861242	341.321	JPRCVXBUMGFYPQ-UHFFFAOYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-092593
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCc1n(nnn1)c1ccccc1)C	SCHEMBL5541528,PC-id_69481187	341.325	URQCQCFMRSTAJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092594
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC(F)(F)F	PC-id_92109517	341.328	VZERWHUTRUHQLH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-092595
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccn(CCC)n2)n1	EMOLS-id_8867948,PC-id_19591203,MCULE-2239152367,ZINC22_20607527	341.332	RUTPXXIBGRVWIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092596
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2nn(CC)c(c2)C)n1	EMOLS-id_8867655,ZINC22_20607639,PC-id_19591075,MCULE-6275030944	341.332	QZQNEZCJJJXDHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092597
Cc1cn(C(C)(C)C(=O)N[C@H]2Cc3nccn3C2)nc1C(F)(F)F	ZINC22_2325800006	341.332	FMJVDGDRRJHCBU-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-092598
Cc1cn(C(C)(C)C(=O)N[C@@H]2Cc3nccn3C2)nc1C(F)(F)F	ZINC22_2325800007	341.332	FMJVDGDRRJHCBU-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092599
CCC(C(=O)Nc1ccnn1C)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867231,PC-id_19590872,MCULE-5048480261	341.332	UYHMJRQUHOFACD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092600
CC[C@@H](C(=O)Nc1ccnn1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607590,PC-id_29092497	341.332	UYHMJRQUHOFACD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-092601
CC[C@H](C(=O)Nc1ccnn1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607591,PC-id_29092498	341.332	UYHMJRQUHOFACD-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092602
O=C(c1n(C)nc2c1CCC2)N1CCC(CC1)C1(N=N1)C(F)(F)F	MCULE-6724377655,EMOLS-id_320119269	341.332	VTGHWIIXFDGOQW-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-092603
c1(NC(=O)c2ccn(C(F)F)n2)sc2c(CCC2)c1C(=O)OC	CoCoCo_6580051,ZINC22_2781042,EMOLS-id_4020524,PC-id_4771423,TIMTEC467963,MCULE-8078517314	341.333	TXROWYCVEVBWKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092604
c1(NC(=O)c2ccnn2C(F)F)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4020526,PC-id_4771110,CoCoCo_6579913,ZINC22_2780682,MCULE-7061270820,TIMTEC388085	341.333	PSOWHZHXKQWZSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092605
Cc1cc(F)c(S(=O)(=O)NC(=O)c2cnn3c2CCC3)c(F)c1	EMOLS-id_316874408,ZINC22_821993058,MCULE-4468792865	341.333	PAJNSNWVBLJLDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092606
c1([nH]nc(c2ccccc2F)c1)C(=O)N1Cc2c(n(nc2)CCO)C1	PC-id_74250471,EMOLS-id_49680428,MCULE-2755395562,ZINC22_97805697	341.34	HDIJHXHPFONKJA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092607
O=C(NCc1nnc2n1CCC2)Nc1cc(c2ccco2)ccc1F	ZINC22_78938158,PC-id_71870230,EMOLS-id_43653960,MCULE-8097244831	341.34	ARJAQKXHWDVMKI-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-092608
Cc1nc(C(=O)NCc2nnc3n2CCC3)nn1c1ccc(F)cc1	EMOLS-id_29625473,MCULE-2744053888,PC-id_45863213,ZINC22_40025404,CoCoCo_4474392	341.343	USZKNKUOTPDHNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092609
Fc1ccc(c2nn(nn2)CC(=O)NCc2n[nH]c3c2CCC3)cc1	PC-id_56747394	341.343	DVPPNJBFZHHCEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092610
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)CCn2nnnc2)cc1	PC-id_56743072	341.343	FNFLTJGINUNVLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092611
O=C(c1ccc(cc1F)n1nnnc1C)NCc1cnc2n1CCC2	MCULE-5518414647,EMOLS-id_320153672	341.343	SXOJWMSMILHHFO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092612
COc1ccc(cc1)C1(CCOCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318212651	341.404	PCSJKDQAWYGEDZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092734
O=C(N1CCn2c1ncc2)Nc1nnn(c1C)Cc1ccccc1F	EMOLS-id_318111776	341.343	CUXXXPXRYPLCLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092613
n12ncnc1sc(=CN1C(C(=O)O)CC(=N1)c1ccccc1)c2=O	MCULE-5570982742	341.345	XPIRBNUNANJHMB-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-092614
OC(=O)C1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccccc1	EMOLS-id_190367002,PC-id_117588151	341.345	XPIRBNUNANJHMB-GHXNOFRVSA-N	00000011100000110001100010000000000000000000000000000000	25-01-092615
O=C(O)[C@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccccc1	ZINC22_256028172	341.345	XPIRBNUNANJHMB-HBZGRHIISA-N	00000011100000110001100010000000000000000000000000000000	25-01-092616
O=C(O)[C@@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccccc1	ZINC22_256028173	341.345	XPIRBNUNANJHMB-ZWIPKHHJSA-N	00000011100000110001100010000000000000000000000000000000	25-01-092617
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1CN	EMOLS-id_331000754,MCULE-6274221875	341.346	UGLBPDJIEXOJBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092618
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1CN	EMOLS-id_331001010,MCULE-5586407567	341.346	KYNLSJWBEQUIDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092619
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1CN	MCULE-2817190243,EMOLS-id_330998448	341.346	KBGGNQQITSNGBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092620
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1CN	MCULE-7905869448,EMOLS-id_330998192	341.346	YRKQFJKYHFAYOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092621
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1CN	EMOLS-id_330997940,MCULE-4083163681	341.346	LAIPQWSPPZKLJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092622
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1CN	EMOLS-id_331000498,MCULE-6972244867	341.346	NQEPCGXMFSCMJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092623
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1CN	EMOLS-id_330998196,MCULE-9705294093	341.346	DNPISXZMFOFNCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092624
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1CN	MCULE-9579361866,EMOLS-id_331001266	341.346	UCDAVJVRZYDVOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092625
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1CN	EMOLS-id_331001779,MCULE-8207678616	341.346	YOYAETSEKWDXQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092626
OCC(c1cc(F)c(c(c1)F)F)NC(=O)c1sc2c(c1)CCC2	PC-id_109627441	341.348	ZGJPXNPFQGEAKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092627
s1c2CN(Cc2nc1)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_56656206	341.351	VVHCEFAGDMMKAL-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092628
s1c2CN(Cc2nc1)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_76388665	341.351	VVHCEFAGDMMKAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092629
s1nc2CN(Cc2c1)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_56656132	341.351	ZPKWSNOXOUVIBX-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092630
s1nc2CN(Cc2c1)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_76388648	341.351	ZPKWSNOXOUVIBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092631
s1ncc2CN(Cc12)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_56656273	341.351	UIKYXZLERXSZHG-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092632
s1ncc2CN(Cc12)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_76388687	341.351	UIKYXZLERXSZHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092633
CCOC(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)OC	SCHEMBL11004948,PC-id_20404959	341.358	CMTANUBTFSXADK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092634
COC(=O)C1(CCn2c1ccc2C(=O)c1cccc(c1)C)C(=O)OC	PC-id_67929237,SCHEMBL9792290	341.358	FXVTZNJALGFNIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092635
O(C(=O)C1(C(Cn2c1ccc2C(=O)c1cc(ccc1)C)C)C)C(=O)O	PC-id_20073569	341.358	NGHOVECOKDAJHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092636
O=C(c1sc2c(c1S(=O)(=O)N)OCO2)OCc1ccccc1	SCHEMBL7647417,PC-id_70152773	341.36	LIQNMEFEKFVTOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092637
C[C@@H]1CCN(c2cc(C(=O)N3Cc4occ(C(=O)O)c4C3)ccn2)C1	ZINC22_1875291645	341.361	HBGJXFHBMVCVGW-LLVKDONJSA-N	00000010100000101000100010000000000000000000000000000000	25-01-092638
C[C@H]1CCN(c2cc(C(=O)N3Cc4occ(C(=O)O)c4C3)ccn2)C1	ZINC22_1875291646	341.361	HBGJXFHBMVCVGW-NSHDSACASA-N	00000010100000101000100010000000000000000000000000000000	25-01-092639
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)c1ccccc1C(=O)O	EMOLS-id_278686496	341.361	YCVDXJCQGVKPSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092640
C1CS(=O)(=O)c2nc(cn12)C=C1C2N(C1=O)C(CS2)C(=O)O	PC-id_88374423,SCHEMBL9288838	341.363	RFHDSCYHJGAVRK-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-092641
O=C(Nc1sc2c(c1S(=O)(=O)N)OCO2)Nc1ccccc1	PC-id_70152105,SCHEMBL7644900	341.363	RCXKTWWQSLCRLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092642
OC(=O)C1CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)S(=O)(=O)CC2	PC-id_67818694,SCHEMBL9288832	341.363	RFHDSCYHJGAVRK-LUGFMMGCSA-N	00001010100000000001001010000000000000000000000000000000	25-01-092643
OC(=O)C1CS[C@H]2N1C(=O)C2=Cc1cn2c(n1)S(=O)(=O)CC2	SCHEMBL9288841,PC-id_67708317	341.363	RFHDSCYHJGAVRK-LHIURRSHSA-N	00001010100000000001001010000000000000000000000000000000	25-01-092644
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccc(nc1)OC	MCULE-5417953201,EMOLS-id_207862893	341.364	KZOPFFKUOWVGPJ-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-092645
c1(CN(C)C(=O)NCc2noc(c3ccco3)c2)c2CCCc2[nH]n1	MCULE-2292362202,ZINC22_584896596,EMOLS-id_177453378	341.364	CXJIVCOBQKUQMJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-092646
c1(C(=O)N2CCN(CC2)c2ccc(cc2)N(=O)=O)c2CCCc2[nH]n1	EMOLS-id_334807629,MCULE-8598884015	341.364	CJHSLGSUXZEERG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092647
CC(C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)C	PC-id_68442675,SCHEMBL2924084	341.364	LJNVUADGGOCRLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092648
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1C(=O)C	PC-id_68438577,SCHEMBL2913104	341.364	CJZPNNAOPKJTEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092649
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(=O)C	PC-id_68440233,SCHEMBL2917198	341.364	ZHCPPOYVXSEGQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092650
CCNC(=O)N1Cc2c(C1)n[nH]c2CC(=O)NC(=O)c1ccccc1	SCHEMBL5427273,PC-id_69437047	341.364	GHAKQGCSHDRNJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092651
[C@H]1(C(=O)NCc2c3CCCc3[nH]n2)OCC(=O)N[C@@H]1c1cccnc1	EMOLS-id_316200631,PC-id_134700890,ZINC22_1529120952,MCULE-1927358399	341.364	VTIKNUAGSXTRDC-CVEARBPZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092652
CN1CCN(CC1)C(=O)c1nc2CN(Cc2o1)C(=O)c1cccnc1	ZINC22_96147309,EMOLS-id_44304402,CHEMBL3554766,PC-id_97442833	341.364	AFJAIJXVFRYTTP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092653
n12CCCc1nnc2CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1	PC-id_134699846,ZINC22_1529114657,EMOLS-id_316174268,MCULE-1520475364	341.364	RRPDHETWYWJSPS-CVEARBPZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092654
o1c(CN(C(=O)NCc2n3CCCc3nn2)Cc2occc2)ccc1	PC-id_52216075	341.364	ILUYOBZJOAWRIB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-092655
O=c1[nH]cc([nH]1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109488	341.364	RIXPQRRGEZLXLS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-092656
O=C(c1cccc(c1)NC(=O)N1CCn2c1ncc2)N1CCOCC1	EMOLS-id_319040945	341.364	WPWDGASLUUKFPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092657
O=C(c1ccc(=O)[nH]c1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98491820	341.364	JPLJUFJPGYLMSD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092658
OCCn1nc(cc1NC(=O)c1cnn2c1CCC2)c1ccoc1C	EMOLS-id_278568758	341.364	LBKYZHDLZLWAFP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-092659
O=C(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)C)C1)N(C)C	PC-id_71456838	341.364	IIXCZNLCCVPNSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092660
CCC1(F)CCC(=CC1)C(=O)c1nc2n(n1)C(CC2)C(CC)(F)F	PC-id_142363636	341.371	HSEJJVJWALCYSC-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-092661
c1(CNS(=O)(=O)Cc2cc(F)cc(F)c2)c2CCCc2nn1C	EMOLS-id_53884717,MCULE-9960830747,ZINC22_225819150,PC-id_91819424	341.376	RNXFOWSNVFXRML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092662
CCc1cc2n(c1C(=O)c1ccccc1F)CC=C2C(=O)OC(C)C	SCHEMBL11605214,PC-id_70619646	341.376	YPCBFOKBQSSWEI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-092663
c1(NC(=O)COCC(=O)O)sc2c(CCC2)c1C(=O)OCCC	CoCoCo_6834711,MCULE-3454553637,TIMTEC358161,EMOLS-id_4020613,ZINC22_17071378,PC-id_17378794	341.379	OLEICCBMHWBOOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092664
CCOCC(=O)OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_43735356,CoCoCo_2960377,ZINC22_11396935,PC-id_24355289,MCULE-2874850054	341.379	QNESUWKIWCJCHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092665
Fc1ccc(cc1)C(=O)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_71874873,MCULE-8573818663,EMOLS-id_300498381	341.379	DKLZBXZYMUUNPO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092666
Fc1ccc(cc1)C(=O)[C@H]1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_95849391,ZINC22_72389603,LEG-12513323	341.379	DKLZBXZYMUUNPO-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092667
O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_89781020,PC-id_97077713	341.379	DKLZBXZYMUUNPO-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092668
s1c2c(CCC2)c(c1NC(=O)COC(=O)COC)C(=O)OCC	PC-id_7775841	341.379	HZAZDEIANLCYON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092669
c12CN(Cc1cnn2Cc1ccc(cc1)F)Cc1noc(C(C)C)n1	PC-id_91842069,ZINC22_252483708,EMOLS-id_55697387,MCULE-3575918937	341.383	FHFDOODZBBRIMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092670
c1(NC(=O)C(=O)NCCOCCO)sc2c(CCC2)c1C(=O)N	CoCoCo_6533818,MCULE-2280833018,EMOLS-id_4736084,PC-id_8031129,ZINC22_6662684,STOCK6S-07635	341.383	YIHXSCXHKCMTBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092671
COc1ccc(c(c1)F)c1[nH]ncc1CNCc1[nH]nc2c1CCC2	CoCoCo_1341836,CoCoCo_1341837,CoCoCo_1341835,CoCoCo_1341838,PC-id_25286527	341.383	SZWIBQCPGXIQPO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092672
O[C@H]1[C@H](NC(=O)CNC(=O)OC(C)(C)C)c2c(/C/1=N/O)scc2	CoCoCo_5749088	341.383	ZSGYMOFSOULYKR-QVJSKCFISA-N	00000010100000000000000010000000000000000000000000000000	25-01-092673
O[C@@H]1[C@H](NC(=O)CNC(=O)OC(C)(C)C)c2c(/C/1=NO)scc2	CoCoCo_5749089	341.383	ZSGYMOFSOULYKR-KMTCGGEHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092674
O[C@@H]1[C@H](NC(=O)CNC(=O)OC(C)(C)C)c2c(/C/1=N/O)scc2	CoCoCo_5749090	341.383	ZSGYMOFSOULYKR-VJHQWPAYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092675
O[C@H]1[C@H](NC(=O)CNC(=O)OC(C)(C)C)c2c(/C/1=NO)scc2	CoCoCo_5749091	341.383	ZSGYMOFSOULYKR-DXWNCBSBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092676
O[C@@H]1[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c2c(/C/1=NO)scc2	CoCoCo_5749092	341.383	ZSGYMOFSOULYKR-QLBVYRNMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092677
O[C@@H]1[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c2c(/C/1=N/O)scc2	CoCoCo_5749093	341.383	ZSGYMOFSOULYKR-XDNUZDNFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092678
O[C@H]1[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c2c(/C/1=NO)scc2	CoCoCo_5749094	341.383	ZSGYMOFSOULYKR-WQRAHYLLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092679
O[C@H]1[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c2c(/C/1=N/O)scc2	NSC681947,CoCoCo_5749095	341.383	ZSGYMOFSOULYKR-LWZGMLCSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092680
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)[C@H](O)C2=NO)cc1	PC-id_387813	341.383	ZSGYMOFSOULYKR-UMJHXOGRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092681
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)C(O)C2=NO)cc1	PC-id_3751579	341.383	ZSGYMOFSOULYKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092682
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)C(O)/C/2=N/O)cc1	PC-id_5912874	341.383	ZSGYMOFSOULYKR-YVLHZVERSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092683
c1(ccc(C#N)nc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-2205876117,EMOLS-id_327988928	341.384	HRSRIZYRPOQIHQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-092684
CC1(CC=CO1)NC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	PC-id_88100449,SCHEMBL7149047	341.384	GUBIKCSUPSMHTE-UHFFFAOYSA-N	00000011110000000000000010000000000000000000000000000000	25-01-092685
CCOC(=O)c1c(c2c(s1)NC(C2=[N+]=[N-])C(=O)c1ccccc1)C	SCHEMBL10826876,PC-id_88674981	341.384	GHOVWADSRNCFIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092686
N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-2434011610,ZINC22_2626057,PC-id_2088278,CoCoCo_3154404,EMOLS-id_3256588	341.384	PEIZBGBCMPMWMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092687
s1c2CCCc2cc1C(=O)NN=CC=Cc1c([N+](=O)[O-])cccc1	PC-id_85015521	341.384	QVTMFPQUQSJRDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092688
s1c2CCCc2cc1C(=O)NNC(=O)COc1ccc(cc1)C#N	PC-id_26872407	341.384	LSAMAXISRZTPLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092689
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C#N)C(=O)N	PC-id_26901254	341.384	PWUKVBITWGGAOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092690
s1c2c(CCC2)c(c1NC(=O)COc1cc(ccc1)C#N)C(=O)N	PC-id_45724336	341.384	MZLAAUNBNFTZCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092691
s1c2CCCc2nc1NC(=O)c1noc(c2c(OC)cccc2)c1	PC-id_37344045	341.384	YERRVSBSMPQCFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092692
c12SCCn1cc(CCNC(=O)C(=O)Nc1ccccc1C#N)n2	PC-id_18584041,ZINC22_5345007,CoCoCo_5183059,EMOLS-id_5614918,MCULE-7487555464	341.388	GIDZNEWAISYHNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092693
c1(NC(=O)COc2ccccc2n2cnnc2)sc2c(CCC2)n1	EMOLS-id_323376320,MCULE-8419089529	341.388	BJECAOPKUIFYFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092694
c1(NC(=O)COc2cccc(c2)n2cnnc2)sc2c(CCC2)n1	EMOLS-id_323392898,MCULE-6663666801	341.388	PPZUPXDKJOFGQP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092695
COc1ccc(c2nnc(NC(=O)c3n[nH]c4c3CCC4)s2)cc1	MCULE-3810964371,ZINC22_95448072,EMOLS-id_48299600,PC-id_75394489	341.388	MFFMUBUPVTWXEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092696
O=C(CCc1nc(c2ccncc2)no1)Nc1nc2c(s1)CCC2	ZINC22_44894528,MCULE-1225292780,EMOLS-id_30193798,PC-id_45803124	341.388	ITYVBYXVROZXHV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-092697
O=C(Nc1nc2c(s1)CCC2)C1=NN(c2ccccc2)C(=O)CN1	MCULE-1163100216,EMOLS-id_32059000,PC-id_51088797,ZINC22_56218516	341.388	HKOLZTPVRKZXBS-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-092698
c12SCCn1cc(CNC(=O)c1ccc(cc1)Cn1cnnn1)n2	PC-id_74235475,EMOLS-id_49649902,MCULE-6214853232,ZINC22_97468625	341.391	LHBPAZSSRUAWQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092699
c1(NC(=O)c2ccc(cc2)c2nnn(C)n2)n(C)nc2CSCc12	EMOLS-id_316209606,ZINC22_1506397825,MCULE-7332272935	341.391	IOGZCRCOMSGUKT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092700
c1(NC(=O)c2ccc(cc2)Cn2cnnn2)n(C)nc2CSCc12	ZINC22_1529098888,PC-id_134696750,EMOLS-id_316159136,MCULE-6818823192	341.391	OFJRNISSGCTVIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092701
c1(NC(=O)C(c2ccccc2)n2cnnn2)n(C)nc2CSCc12	PC-id_134696044,EMOLS-id_316204696,MCULE-6823440099	341.391	CAJJYSOHJYYCHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092702
Cc1nc(c2ncccn2)sc1C(=O)NCc1nnc2n1CCC2	PC-id_75479565,MCULE-6639695420,ZINC22_56373788,EMOLS-id_48776414	341.391	PMGSPPBLDOMLPK-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-092703
Cn1nc2c(c1NC(=O)[C@@H](c1ccccc1)n1cnnn1)CSC2	ZINC22_1529093949	341.391	CAJJYSOHJYYCHR-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092704
Cn1nc2c(c1NC(=O)[C@H](c1ccccc1)n1cnnn1)CSC2	ZINC22_1529093950	341.391	CAJJYSOHJYYCHR-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092705
Cn1nnc(c2ccc(C(=O)NCc3cn4c(n3)SCC4)cc2)n1	EMOLS-id_49900359,PC-id_77098108,MCULE-7113637881,ZINC22_216518516	341.391	XUNWATUZNRHHJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092706
N#Cc1c(NC(=O)c2ccc(nn2)N2CCCC2)nc2n1CCS2	EMOLS-id_99351277	341.391	KCQHUVKWZCGUJW-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-092707
CC([C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2c1nc(s2)N)C	PC-id_140763658	341.394	FOJORLRPCISSOS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092708
CCCc1cc2n(c1C(=O)c1ccc(o1)C)CC=C2C(=O)OC(C)C	PC-id_70629598,SCHEMBL11664056	341.401	RIHJTRLCOHIEIB-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-092709
CCCCc1cc2n(c1C(=O)c1ccccc1OC)CCC2C(=O)O	PC-id_20351647,SCHEMBL11603604	341.401	CQYXNTFQGSZODY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092710
CCOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC(C)C	PC-id_13486984,SCHEMBL11601370	341.401	UJBRPJUUDGOETP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092711
COc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)OC(C)C	PC-id_13780961,SCHEMBL11602524	341.401	QTYFWIFPAJMQGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092712
COc1ccccc1C(=O)c1c(C)cc2n1CCC2C(=O)OC(C)C	PC-id_20351646,SCHEMBL11603467	341.401	JCSGNRDJYUFXKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092713
Fc1ccc(cc1)n1nc(cc1NC(=O)c1sc2c(c1)CCC2)C	PC-id_112805769	341.403	QYXNVDYSSRKGFA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092714
c1(c2CCCc2[nH]n1)C(=O)N1CCC(C1)c1cc(OC)ccc1OC	PC-id_70723727,EMOLS-id_43566067,MCULE-5284745465	341.404	HTZWWHVBWQOZJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092715
C1Cc2c(C1)[nH]nc2C(=O)NC1CCOCC1OCc1ccccc1	PC-id_91792358	341.404	CPUGEIHIMYLUPS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092716
c1(C(=O)Nc2ccc(cc2)CC(=O)OC(C)C)c2CCCc2n(C)n1	MCULE-5652195663,EMOLS-id_320481551,PC-id_84466422	341.404	NAOVHFAPCRMOCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092717
c1(C(=O)Nc2cccc(c2)C(=O)OC(C)CC)c2CCCc2n(C)n1	MCULE-9993506662,EMOLS-id_320482831,PC-id_84466427	341.404	OPBDPWLOSJNWJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092718
c1(C(=O)NCc2ccc(cc2)C(=O)OCCC)c2CCCc2n(C)n1	EMOLS-id_320480014,PC-id_84466077,MCULE-8303617818	341.404	VVJXHUUJYDPARL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092719
c1(C(=O)NCc2ccc(cc2)C(=O)OC(C)C)c2CCCc2n(C)n1	PC-id_84466076,EMOLS-id_320479758,MCULE-2831335391	341.404	NIMRYLYEXXRRBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092720
c1(C(=O)NCc2ccc(cc2)C(=O)OCCCC)c2CCCc2[nH]n1	EMOLS-id_335093093,MCULE-1372138672	341.404	BNRBAWVLVUEAJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092721
c1(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_55695785,MCULE-4248716970,ZINC22_223363388	341.404	CPUGEIHIMYLUPS-IAGOWNOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092722
Cc1ccc(cc1)C1(CCOCC1)CNC(=O)c1nn2CCOc2c1	PC-id_91959820	341.404	SSDVRZROAQWSQY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092723
Cc1ccc(cc1)C(=O)c1c(NC(=O)OC(C)(C)C)nc2CCCn12	EMOLS-id_331234907	341.404	BAQODXLLHBQYEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092724
Cc1c(nc2n1CC(O2)COc1ccc(cc1)C1(CCC1)C)C(=O)N	PC-id_86342477	341.404	IKRWWUKVNLXGGS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-092725
CC=Cc1c(c(cc(c1)C(=O)Nc1c2CCCc2nn1C)OC)OC	EMOLS-id_300952543,PC-id_91942744,MCULE-4303398979	341.404	GCNFVNPGAGAYMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092726
C/C=C/c1cc(C(=O)Nc2c3c(nn2C)CCC3)cc(OC)c1OC	PC-id_75480062,ZINC22_65856039	341.404	GCNFVNPGAGAYMM-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092727
CN(C1CC(C1(C)C)Oc1ccccc1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_318052481	341.404	ULYZBRFCDKMDJZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-092728
CN([C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)C(=O)c1n[nH]c2CCCc12	EMOLS-id_48411989,ZINC22_257292251,PC-id_110143753,MCULE-4148431521,BDG-33842708	341.404	QKQWGLKJLAQPDJ-JFIYKMOQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092729
COc1ccc(C2(NC(=O)c3n[nH]c4c3CCC4)CCOCC2)cc1	ZINC22_95347280,PC-id_84583479,MCULE-6863621379,EMOLS-id_48995384	341.404	UBPVNGQJJIUVET-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092730
COc1ccc(cc1)C1CCCCCN1C(=O)c1cc2n(n1)CCO2	EMOLS-id_318000409	341.404	SRVVUSAPUNQTGW-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-092731
COc1ccc(cc1)[C@@]1(C[C@@H](C1)O)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319241990	341.404	UMJWRXCSQHLFLP-HJGJAMNPSA-N	00001010100000110001100010000000000000000000000000000000	25-01-092732
COc1ccc(cc1)C1(CCOCC1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318272123	341.404	RFJBZQNPOCPLBU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092733
COc1ccc(OC)c([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	ZINC22_77343927,PC-id_96375125	341.404	HTZWWHVBWQOZJW-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092735
COc1ccc(OC)c([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	ZINC22_77343928,PC-id_96375126	341.404	HTZWWHVBWQOZJW-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092736
O=c1ccc(co1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109847	341.404	WAWJSUZRMYDVOH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092737
O=C(c1cc2n(n1)CCO2)N1CCC[C@](CO)(Cc2ccccc2)C1	ZINC22_291284570	341.404	RKSAMCZPVFXBMC-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-092738
O=C(c1cc2n(n1)CCO2)N1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC22_291284573	341.404	RKSAMCZPVFXBMC-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092739
OCC1(CCCN(C1)C(=O)c1nn2c(c1)OCC2)Cc1ccccc1	EMOLS-id_320389665,MCULE-2244110555,PC-id_139004833	341.404	RKSAMCZPVFXBMC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092740
O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1n[nH]c2c1CCC2	ZINC22_1565528618	341.404	CPUGEIHIMYLUPS-IRXDYDNUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092741
Cn1ncc2c1CN(C2)S(=O)(=O)c1cccc(c1)S(=O)(=O)C	EMOLS-id_318202085	341.406	HTRSUHKOECKIOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092742
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)C#N	EMOLS-id_328217973,MCULE-9645077482	341.406	RRNVZHVOXIRXKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092743
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1C#N	MCULE-2180071498,EMOLS-id_328216946	341.406	FBYCVHMSUBMZNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092744
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(c1)C#N	MCULE-4727092991,EMOLS-id_328218235	341.406	IHQJHVKTBOXJDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092745
O=C(Nc1ccccc1)c1n2c(nc1C)c(=Cc1ccccc1)c(c2)C	PC-id_59055236	341.406	YDFPEBKIOBWYNW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-092746
OC(=O)CC(c1cccs1)NS(=O)(=O)c1cnc2n1CCC2	MCULE-1325314599,EMOLS-id_316874024	341.406	MLVLOSCTDDSJEI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092747
O=C(O)C[C@@H](NS(=O)(=O)c1cnc2n1CCC2)c1cccs1	ZINC22_681557752	341.406	MLVLOSCTDDSJEI-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092748
O=C(O)C[C@H](NS(=O)(=O)c1cnc2n1CCC2)c1cccs1	ZINC22_681557753	341.406	MLVLOSCTDDSJEI-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-092749
O=S(=O)(N1CCn2c1ncc2)Cc1cccc(c1)S(=O)(=O)C	MCULE-9789934762,EMOLS-id_316403167	341.406	PFMHIESCWRJJBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092750
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(onc1C)C	PC-id_8474239	341.406	STVZGODFLDTGLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092751
c1(NC(=O)c2noc(c3cccs3)c2)sc2c(CCC2)c1C#N	EMOLS-id_2593468,ZINC22_2497901,TIMTEC357485,MCULE-6782995198,PC-id_6621309	341.407	OKKRDEHOTCBPCT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-092752
Cc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)o1	EMOLS-id_206981656,STOCK4S-65767,ZINC22_5163930	341.407	BPUXTAMRMOYTSB-PXBDENQTSA-N	00000000101100000001000010000000000000000000000000000000	25-01-092753
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)Cc1cccs1	MCULE-6895927625	341.407	UBPIYFPZCURTKD-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-092754
n12nc(nc1sc(=Cc1ccc(C)o1)c2=O)C=Cc1cccs1	MCULE-9215279966	341.407	BPUXTAMRMOYTSB-UHFFFAOYSA-N	00000000101100000001000010000000000000000000000000000000	25-01-092755
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)Cc1cccs1	MCULE-7172507647	341.407	BSGFXHJVWFPSPP-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-092756
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1ccccc1	MCULE-8957347333	341.407	OCENPYSDTAXQTI-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-092757
N#Cc1c(NC(=O)c2cnc(c3ccoc3)s2)sc2c1CCC2	PC-id_72129626,MCULE-8298158583,ZINC22_72292159,EMOLS-id_42900221	341.407	MGNRSKDINAZLFN-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-092758
N#Cc1c(NC(=O)c2csc(c3ccco3)n2)sc2c1CCC2	PC-id_45870209,MCULE-9170533682,EMOLS-id_30002050,CoCoCo_4696248,ZINC22_40052324	341.407	SRDCRSFKGGIWEM-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-092759
Oc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324830459	341.407	UBPIYFPZCURTKD-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-092760
Oc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324830462	341.407	BSGFXHJVWFPSPP-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-092761
O=c1n2nc(COc3ccccc3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324842743	341.407	OCENPYSDTAXQTI-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-092762
c12c(C(=O)NN=Cc3ccc(N(CC)CC)cc3O)n[nH]c1CCC2	MCULE-5214812653	341.408	WZQLFFIDVAMNCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092763
c1(c2CCCc2[nH]n1)C(=O)N1CCOCC1CCc1c(C)nccn1	MCULE-3226229944,PC-id_110133437,BDF-33348691,EMOLS-id_43267563	341.408	WJTWSDUEULPDAK-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092764
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(c2cccc(N(C)C)n2)C1	BDE-33352149,PC-id_110119145,MCULE-4772702203,EMOLS-id_43268107	341.408	AUZWXIJIMPLVMF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092765
c1(c2CCCc2[nH]n1)C(=O)N1CCOCC(Cc2cc(C)ncn2)C1	PC-id_110118920,BDE-33348868,MCULE-1085768612,EMOLS-id_43267657	341.408	IZCVXODYNVMDSR-UHFFFAOYSA-N	00000010100000100101000010000000000000000000000000000000	25-01-092766
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(CCc2ccnc(N)c2)C1	BDE-33353890,PC-id_110119292,EMOLS-id_43268429,MCULE-6283495373	341.408	PGBRSUQJHNWNPQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092767
c1(C(=O)N2CCN(CC2)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-2437952309,EMOLS-id_316328753	341.408	ANGNHYNVROQBMB-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092768
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CC(C)C)Cc12	MCULE-3758180477,EMOLS-id_316318527	341.408	YHUPZMDDGUHCOR-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092769
c1(C(=O)N(C)CC2(O)CCN(c3ccccn3)C2)c2CCCc2[nH]n1	MCULE-6415869486,BDE-33797601,PC-id_110124196,EMOLS-id_48379368	341.408	HXNFJDCRPKHQGA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-092770
c1(C(=O)NCCN2CCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-9838516869,EMOLS-id_316329779	341.408	KEWKMJRPGGBHAM-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092771
C[C@]1(c2ncc(CNC(=O)c3n[nH]c4c3CCC4)cn2)CCCCO1	ZINC22_257259309	341.408	KXTHIBKSPUXPIG-GOSISDBHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092772
C[C@@]1(c2ncc(CNC(=O)c3n[nH]c4c3CCC4)cn2)CCCCO1	ZINC22_257259310	341.408	KXTHIBKSPUXPIG-SFHVURJKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092773
Cc1cc(CCC2CN(CCO2)C(=O)c2n[nH]c3CCCc23)ncn1	MCULE-9619036430,BDE-33349287,PC-id_110119046,EMOLS-id_43267893	341.408	AFIFQQKWIZBBCQ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092774
Cc1cc(C)cc(C(=O)NCC(=O)NCCc2nnc3n2CCC3)c1	ZINC22_170598170,EMOLS-id_50566573,PC-id_99785642,MCULE-3415837892	341.408	WANUYAMQIVYXPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092775
Cc1cc(CC[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ncn1	ZINC22_257200910	341.408	AFIFQQKWIZBBCQ-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092776
Cc1cc(CC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ncn1	ZINC22_257200911	341.408	AFIFQQKWIZBBCQ-CQSZACIVSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092777
Cc1cc(C[C@H]2COCCN(C(=O)c3n[nH]c4c3CCC4)C2)ncn1	ZINC22_257247461	341.408	IZCVXODYNVMDSR-CYBMUJFWSA-N	00000010100000100101000010000000000000000000000000000000	25-01-092778
Cc1cc(C[C@@H]2COCCN(C(=O)c3n[nH]c4c3CCC4)C2)ncn1	ZINC22_257247462	341.408	IZCVXODYNVMDSR-ZDUSSCGKSA-N	00000010100000100101000010000000000000000000000000000000	25-01-092779
CC1COC(CN1C(=O)NCc1nnc2n1CCC2)c1ccccc1	EMOLS-id_36978322,MCULE-4020870784,PC-id_56791030	341.408	GUIFNBVGVKWRNN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092780
Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_257323345	341.408	WJTWSDUEULPDAK-CYBMUJFWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092781
Cc1nccnc1CC[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2	ZINC22_257323346	341.408	WJTWSDUEULPDAK-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-092782
CC1OC(C)CN(C1)c1ccccc1NC(=O)N1CCn2c1ncc2	EMOLS-id_319815182	341.408	DCYWCEWFWHTAMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092783
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1ccc[nH]1)C2	ZINC22_96259150,PC-id_97519238,EMOLS-id_44369850	341.408	YMKMUZFESHJUQH-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-092784
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1cc[nH]c1)C2	EMOLS-id_313736150,ZINC22_1565554444	341.408	ZYPDMLOODYYEBC-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-092785
C[C@H](NCCc1nnc2n1CCC2)c1cccc(N2CCOC2=O)c1	PC-id_97229708,ZINC22_95419901	341.408	JZTWMWHLKIHGOL-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092786
C[C@@H](NCCc1nnc2n1CCC2)c1cccc(N2CCOC2=O)c1	PC-id_97229709,ZINC22_95419902	341.408	JZTWMWHLKIHGOL-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092787
CCN(c1ccc(c(c1)O)/C=N/NC(=O)c1n[nH]c2c1CCC2)CC	PC-id_135683555,SPECS-id_AT-225/NB41707	341.408	WZQLFFIDVAMNCV-YBFXNURJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092788
CCN(CC)c1cc(c(cc1)/C=NNC(=O)c1n[nH]c2c1CCC2)O	PC-id_136801965	341.408	WZQLFFIDVAMNCV-ODLFYWEKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092789
CC(N(C(=O)C)Cc1ccc(cc1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319828004	341.408	NLTJTWFWCIZWLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092790
CC(NC(=O)Nc1ccccc1C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_318896904	341.408	XAALSFRPLVXWJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092791
CC(NC(=O)Nc1ccc(cc1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_320043947,MCULE-4596153399	341.408	JDXBXTZOSWWCOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092792
CC(NC(=O)Nc1cccc(c1)C(=O)NCc1cnc2n1CCC2)C	MCULE-4901694249,EMOLS-id_320290880	341.408	ZENWMBLAFLDYQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092793
CC(NC(=O)Nc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318833132	341.408	ZJOLRGFOPMDPDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092794
CC(NC(=O)Nc1ccccc1C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_318897870	341.408	BULQEZYWQBZAGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092795
CC(NC(=O)Nc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319446026	341.408	CDPCESUANKHTOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092796
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCCCc1ccccc1	PC-id_134800145	341.408	HRNSAOGZUHQUGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092797
CC(=O)N[C@H](CC(=O)NCc1nnc2n1CCC2)c1ccc(C)cc1	ZINC22_54905715,PC-id_94584691	341.408	JXEHRGJDLCZSIQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092798
CC(=O)N[C@@H](CC(=O)NCc1nnc2n1CCC2)c1ccc(C)cc1	ZINC22_54905719,PC-id_94584694	341.408	JXEHRGJDLCZSIQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092799
CN(C)c1cccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257204520	341.408	AUZWXIJIMPLVMF-HNNXBMFYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092800
CN(C)c1cccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257204521	341.408	AUZWXIJIMPLVMF-OAHLLOKOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092801
CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_275555182	341.408	HVHFEAJJSGCJKI-GFCCVEGCSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092802
CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_275555184	341.408	HVHFEAJJSGCJKI-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092803
CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)c1n[nH]c2c1CCC2	ZINC22_257241294	341.408	HXNFJDCRPKHQGA-GOSISDBHSA-N	00000010100000101001100010000000000000000000000000000000	25-01-092804
CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)c1n[nH]c2c1CCC2	ZINC22_257241295	341.408	HXNFJDCRPKHQGA-SFHVURJKSA-N	00000010100000101001100010000000000000000000000000000000	25-01-092805
COc1ccc(C2(CNC(=O)NCc3nnc4n3CCC4)CC2)cc1	MCULE-2953311362,ZINC22_83943549,PC-id_71851475,EMOLS-id_44586802	341.408	OBGMGDNATHYIIK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-092806
COc1cccc(c1)C1CCCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_32005094,MCULE-2485590522,PC-id_51084099	341.408	WAXBDEFLEZAWJK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092807
COc1ccc(cc1)C1CCCN1C(=O)NCc1nnc2n1CCC2	MCULE-8296685352,PC-id_53500437,EMOLS-id_35718962	341.408	YZOFILUDTWJIAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092808
COc1ccccc1C1(CNC(=O)NCc2nnc3n2CCC3)CC1	ZINC22_95393500,PC-id_75369018,EMOLS-id_48227060,MCULE-5485323685	341.408	LEDDNUYSEKNTGK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-092809
COc1ccc(cc1)C(C1CC1)NC(=O)NCc1nnc2n1CCC2	PC-id_45803876,EMOLS-id_31871647,MCULE-9306085692	341.408	IURPUTMNPDFEOZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092810
COc1ccc(cc1)CN1CCC1C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319863115	341.408	SSPBZHADHASEOU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-092811
COc1ccccc1CN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319308339	341.408	RSVHLPSTTLLJGS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092812
COc1ccccc1N1CCC(C1)CNC(=O)C1NCc2c1c[nH]n2	EMOLS-id_318910134	341.408	OFWVARBCRDJSAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092813
COc1cccc([C@H]2CCCN2C(=O)NCc2nnc3n2CCC3)c1	PC-id_94049164,ZINC22_45386675	341.408	WAXBDEFLEZAWJK-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092814
COc1cccc([C@@H]2CCCN2C(=O)NCc2nnc3n2CCC3)c1	ZINC22_45386671,PC-id_94049163	341.408	WAXBDEFLEZAWJK-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092815
COc1ccc([C@H]2CCCN2C(=O)NCc2nnc3n2CCC3)cc1	PC-id_94049238,ZINC22_45388741	341.408	YZOFILUDTWJIAP-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092816
COc1ccc([C@@H]2CCCN2C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_45388737,PC-id_94049237	341.408	YZOFILUDTWJIAP-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092817
COc1ccc([C@@H](NC(=O)NCc2nnc3n2CCC3)C2CC2)cc1	PC-id_94017997,ZINC22_44895351	341.408	IURPUTMNPDFEOZ-KRWDZBQOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092818
COc1ccc([C@H](NC(=O)NCc2nnc3n2CCC3)C2CC2)cc1	ZINC22_44895349,PC-id_94017996	341.408	IURPUTMNPDFEOZ-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092819
C(=O)(c1cccnc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C	CHEMBL597391,PC-id_9974591,BindingDB_PC-id_9974591	341.408	OOYUOUNLWCMZHC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092820
C(=O)(c1ccncc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C	PC-id_46228443,CHEMBL606412,BindingDB_PC-id_46228443	341.408	ITHULDOZQFKWFX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092821
Nc1cc(CC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ccn1	ZINC22_257285200	341.408	PGBRSUQJHNWNPQ-CYBMUJFWSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092822
Nc1cc(CC[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ccn1	ZINC22_257285201	341.408	PGBRSUQJHNWNPQ-ZDUSSCGKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092823
N=C(c1ccc(cc1)CN1CCn2c1ccn2)NC(=O)OC(C)(C)C	SCHEMBL18960796,PC-id_140790726	341.408	RYRZFHWGTJRSIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092824
O1CCN(c2cc(C(NCCc3n4CCCc4nn3)C)ccc2)C1=O	MCULE-8955809612,EMOLS-id_48266067,PC-id_75382599	341.408	JZTWMWHLKIHGOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092825
Oc1cccc(c1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581134	341.408	LEQQHCRILYDCRC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092826
OCC1CCCN1C(=O)c1cccc(n1)NCc1cnc2n1CCC2	EMOLS-id_318122352	341.408	WOQNTFGSWHQGJI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092827
OCC1CCN(CC1)c1ncccc1NC(=O)c1n[nH]c2c1CCC2	PC-id_111437257	341.408	FYNDOJSJIMBMEM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092828
O=C(C1NCc2c1c[nH]n2)Nc1ccc(c(c1)NC(=O)C(C)(C)C)C	EMOLS-id_318891588	341.408	WCXRVVXOIFDLDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092829
O=C(C1NCc2c1c[nH]n2)N(Cc1ccccc1N1CCOCC1)C	EMOLS-id_318954269	341.408	YFTBFUJZUPSUTB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092830
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)Oc1cccnc1N(C)C	EMOLS-id_316083238,MCULE-9588949296	341.408	HVHFEAJJSGCJKI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092831
O=C(c1n[nH]c2c1CCC2)NCc1cnc(nc1)C1(C)CCCCO1	BDE-33354140,PC-id_110119329,EMOLS-id_43268503,MCULE-8437731107	341.408	KXTHIBKSPUXPIG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092832
O=C(CC(c1ccc(cc1)C)NC(=O)C)NCc1nnc2n1CCC2	MCULE-8099560791,PC-id_53522948,EMOLS-id_36260953	341.408	JXEHRGJDLCZSIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092833
O=C(C(C)(C)C)Nc1ccc(cn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319916354,MCULE-2371942885	341.408	HVTPXPSKQBOLMP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092834
OC(CN(C1CC1)C(=O)NCc1n2CCCc2nn1)c1ccccc1	MCULE-4823106260,EMOLS-id_48790831,PC-id_75424200	341.408	LSMUHVKYVOWSQA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092835
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)C1CCOCC1	EMOLS-id_319703804	341.408	MSZCDJVRLSGZFC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092836
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)COCC1CC1	EMOLS-id_319601028	341.408	TYBXCTLRSDLTJA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092837
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)OC1CCCC1	EMOLS-id_319302332	341.408	BAHQUYCUGYDJRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092838
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1OC1CCCC1	EMOLS-id_319701873	341.408	NCOOMUWFEYVLMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092839
O=C(N1CCn2c1ncc2)Nc1cc(ccc1C)NC(=O)C(C)(C)C	MCULE-5932183376,EMOLS-id_320119792	341.408	XAPRGSBVWFJGRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092840
O=C(N1CCn2c1ncc2)Nc1ccc(c(c1)NC(=O)C(C)(C)C)C	MCULE-6831624982,EMOLS-id_320001091	341.408	MNTAZJHAEUTECJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092841
O=C(N1CCN(CC1)c1ccccc1O)NC1CC(n2c1ncc2)C	EMOLS-id_101577078	341.408	WTUPCXRJXZVTJX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092842
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(=O)[nH]n1	PC-id_92109699	341.408	NOJYTCDWLFOQAV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092843
O=C(NCc1ccccc1OCC1CC1)NCc1nnc2n1CCC2	ZINC22_96417829,MCULE-6562372034,EMOLS-id_49037982,PC-id_72004949	341.408	FHVGXEGHYNMICE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092844
O=C(NCc1nnc2n1CCC2)N(C[C@H](O)c1ccccc1)C1CC1	PC-id_97319433,ZINC22_95963486	341.408	LSMUHVKYVOWSQA-HNNXBMFYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092845
O=C(NCc1nnc2n1CCC2)N(C[C@@H](O)c1ccccc1)C1CC1	ZINC22_95963485,PC-id_97319432	341.408	LSMUHVKYVOWSQA-OAHLLOKOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092846
O=C(NCCN1CCCC1)c1nc2CN(Cc3cccnc3)Cc2o1	ZINC22_96266017,PC-id_97525779,EMOLS-id_44379862	341.408	GLSLAIZLZMGSMB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092847
O=C(NN/C=C
/C(=O)C=C(N(CC)CC)C=C1)c1n[nH]c2CCCc12	PC-id_6041168	341.408	NCVZHSJVVKSMSX-VAWYXSNFSA-N	00000010100011000001000010000000000000000000000000000000	25-01-092848
O=C(NNC=C1C(=O)C=C(N(CC)CC)C=C1)c1n[nH]c2CCCc12	PC-id_6820667	341.408	NCVZHSJVVKSMSX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-092849
O=C(OC(C)(C)C)NC=Nc1ccc(cc1)CN1CCn2c1ccn2	PC-id_141529866	341.408	SOPXKBWOZYZXGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092850
CCC(=O)Nc1nc(c(s1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_318959554	341.409	VSNQSJHTKPJYJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092851
N#Cc1c(NC(=O)CCN2CCCS2(=O)=O)nc2n1CCS2	EMOLS-id_99355591	341.409	RWZQHRBBNPGUSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092852
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)N)CCc1cccs1	SCHEMBL2913503,PC-id_68438777	341.409	XMVHFMANQVXAMK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092853
Cc1nc(C)nc(c1)N1CCC(CC1)NC(=O)C1NCc2c1c[nH]n2	EMOLS-id_319329255	341.411	SPRQLKJEUQRWHF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092854
CN(Cc1nnc2n1CCC2)C(=O)Nc1cccnc1N1CCCC1	EMOLS-id_45752717,PC-id_71895004,MCULE-2254388468,ZINC22_89364933	341.411	IJENWWAURDWDKL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-092855
CN=C(N1CCC(C1)Oc1ccccn1)NCc1nnc2n1CCC2	PC-id_120066969	341.411	MECNCLHCQYNKDV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092856
O=C(c1n[nH]c2c1CCC2)NCCN1CCN(CC1)c1ncccn1	EMOLS-id_98300469	341.411	RIAOLXKBYMOCNL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092857
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccnc(c1)N1CCCCC1	EMOLS-id_319696389	341.411	TYOFUFBHACBOAI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092858
O=C(Nc1n(ncc1)CC1CCC=CC1)NCc1n2CCCc2nn1	PC-id_72849577	341.411	HKTYUINPNZYUFR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-092859
O=C(NCc1ccnc(N2CCCC2)c1)NCc1nnc2n1CCC2	ZINC22_44953131,MCULE-5933980303,EMOLS-id_31982160,PC-id_45827613	341.411	FFTONOXELOXZQQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-092860
O=C(NCc1nnc2n1CCC2)N1CCN(Cc2cccnc2)CC1	ZINC22_65563839,PC-id_53514996,EMOLS-id_35718926,MCULE-6790002014	341.411	OZAMKXGMTZPKEX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092861
O=C(NCc1nnc2n1CCC2)N1CCN(Cc2ccncc2)CC1	EMOLS-id_45753832,MCULE-2144319717,ZINC22_89884952,PC-id_71893452	341.411	IUTOKBAXYOSZMB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-092862
O=C(NCc1nnc2n1CCC2)Nc1ccc(N2CCCCC2)nc1	ZINC22_61398704,EMOLS-id_35713084,MCULE-4061228465,PC-id_53505197	341.411	ZWTOYEGLXYLMAC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092863
O=C(NCCc1n2CCCc2nn1)C1CCN(CC1)c1ncccn1	PC-id_60557233	341.411	SOOBXUFPRUGZNT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092864
CN=C(N1CCN(CC1)c1ncccn1)NCc1nnc2n1CCC2	PC-id_111206704	341.414	JMASRJDKMKYSIO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-092865
n12N=C(C(C)(C)C)C(=NNc3nc(nc(n3)C)C)c1nc(n2)C(C)C	PC-id_59703011	341.414	ZYXJFUTYDPDEMJ-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-092866
C1CCN[C@@H](C1)C(=O)N=C1C=Cc2cn(cc12)CC1CC[C@H](C=C1)F	PC-id_136358538	341.422	JZXUHMJXYFDDDX-LEKXZLICSA-N	00000011100011000000000010000000000000000000000000000000	25-01-092867
c1(CN(C2CCCC2)C(=O)c2ccccc2F)c2CCCc2n(C)n1	EMOLS-id_53872629,MCULE-1001931941,PC-id_86266570	341.422	QCOXRXHBRYDLJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092868
Fc1cccc(c1)C1(CCCCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319824823,MCULE-9532234132	341.422	OEKNLZINMZMLNE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092869
Fc1ccc(cc1)CC[C@H]1CC[C@H](N1C(=O)c1n[nH]c2c1CCC2)C	SCHEMBL10281303,PC-id_68091418	341.422	GJZDSNSHSSCIHL-CZUORRHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092870
Fc1cccc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109771	341.422	GFGZXGPGLRDAJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092871
Fc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109772	341.422	PNVFIGJHCDAAJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092872
Fc1ccc(CCC2N(C(CC2)C)C(=O)c2n[nH]c3c2CCC3)cc1	PC-id_77406976	341.422	GJZDSNSHSSCIHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092873
c1(NC(=O)C2CC2c2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_2862838,MCULE-8100561668,TIMTEC295922,EMOLS-id_1094340	341.424	LTTPWTIMJAZQCM-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-092874
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	PC-id_917687,MCULE-9683335165	341.424	JQMRSNCFQQTLMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092875
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_1555742,MCULE-4956803099	341.424	UHZUTZAYEOUVEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092876
C=CCSc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OC	SCHEMBL10816798,PC-id_70450256	341.424	HGQMQTRBKNVUML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092877
C=CCSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_70599881,SCHEMBL11501347	341.424	JQJBZWIQOOZBIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092878
C=CCSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	PC-id_70599882,SCHEMBL11501348	341.424	MSKYUQWJHVSZDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092879
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2	CoCoCo_96724,STOCK2S-63726,BAS-00570359,ChemDIVV001-9770,SPECS-id_AE-848/36648051,ZINC22_45194,PC-id_680577,EMOLS-id_25713080	341.424	UHZUTZAYEOUVEA-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092880
CCOC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_96725,EMOLS-id_45793750,ZINC22_15356974	341.424	UHZUTZAYEOUVEA-QXMHVHEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092881
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)SC	PC-id_13687499,SCHEMBL10810393	341.424	XFLPMZNHVQZFSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092882
COC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CCC2	PC-id_917688,ZINC22_504581	341.424	JQMRSNCFQQTLMS-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092883
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCC2	CoCoCo_6802414,ZINC22_2736472,PC-id_2163310	341.424	LTTPWTIMJAZQCM-ZIAGYGMSSA-N	00100010100000110000100010000000000000000000000000000000	25-01-092884
COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCC2	CoCoCo_6802416,PC-id_2163307,ZINC22_2736469	341.424	LTTPWTIMJAZQCM-KBPBESRZSA-N	00100010100000110000100010000000000000000000000000000000	25-01-092885
COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCC2	PC-id_2163308,ZINC22_2736470,CoCoCo_6802415	341.424	LTTPWTIMJAZQCM-UONOGXRCSA-N	00100010100000110000100010000000000000000000000000000000	25-01-092886
COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCC2	ZINC22_2736471,CoCoCo_6802413,PC-id_2163309	341.424	LTTPWTIMJAZQCM-KGLIPLIRSA-N	00100010100000110000100010000000000000000000000000000000	25-01-092887
CSc1cc2n(c1C(=O)c1ccc(C3CC3)cc1)CCC2C(=O)O	CHEMBL19738,SCHEMBL10811414,PC-id_13687512	341.424	AOZFSANDLHHWLJ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-092888
CSc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2(C)C(=O)O	SCHEMBL10810398,PC-id_70448799	341.424	KQTDIPGNXVAXMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092889
Fc1ccccc1CS(=O)(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_318189811	341.424	LJMKLVBJTPMCBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092890
O=C(c1sc2c(c1)CCC2)N1CC(C(C1)C(=O)O)c1ccccc1	PC-id_121894252	341.424	MYFRDTAKLPWOOP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-092891
O=C(c1sc2c(c1)CCC2)N1C[C@@H]([C@@H](C1)C(=O)O)c1ccccc1	MCULE-3844268376,EMOLS-id_72662809,PC-id_121976956	341.424	MYFRDTAKLPWOOP-HUUCEWRRSA-N	00000010100000110000100010000000000000000000000000000000	25-01-092892
O=C(c1sc2c(c1)CCC2)OC(c1ccccc1)C(=O)NC1CC1	MCULE-1161866452,EMOLS-id_13571676,PC-id_17480129	341.424	NLYRRQFTCSTTHK-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-092893
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2c(s1)CCC2	MCULE-3149862999,CoCoCo_3278757,ZINC22_8270137,EMOLS-id_11753854,PC-id_9398406	341.424	GCQRKFAPXLENOZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092894
O=C(Nc1sc2CCCc2c1C(=O)C1CC1)OCc1ccccc1	EMOLS-id_331234140	341.424	QTIBWKQGVNRUCM-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-092895
O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cc2c(s1)CCC2	CoCoCo_4014903,PC-id_8218846,ZINC22_7089273	341.424	NLYRRQFTCSTTHK-KRWDZBQOSA-N	00100010100000110000000010000000000000000000000000000000	25-01-092896
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc2c(s1)CCC2	CoCoCo_4014904,PC-id_8218847,ZINC22_7089274	341.424	NLYRRQFTCSTTHK-QGZVFWFLSA-N	00100010100000110000000010000000000000000000000000000000	25-01-092897
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(cc(F)cc1)C	PC-id_7640575	341.424	SNFVOJPCJDIEJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092898
S(=O)(=O)(NCCc1nc2SCCn2c1)c1cc(c(F)cc1)C	PC-id_7640576	341.424	WEFQWMCQYLLXCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092899
CC1CCC(CC1)OCC(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110420983	341.426	NVSUMVWDKZHRSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092900
CC1CCCC(C1)OCC(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481206	341.426	PWRWFNYLKPTWPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092901
CCC1OCCC(C1)CC(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110450705	341.426	BOXJWADGVKDFLC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092902
CCCC1OCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481295	341.426	RBKXDTPCMKMBKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092903
CC(C)(C)OC(=O)N1Cc2c(C1)n(nc2)S(=O)(=O)C1CCCC1	PC-id_90769874	341.426	VXGUAROUTGXBJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092904
CC(=O)OCCCSc1[nH]c2c(n1)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380131,PC-id_118613875	341.426	WVAHEGVXGOHUHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092905
COC1CCCC(C1)CC(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481209	341.426	QFYKKOZIGKKQFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092906
O=C(C(C1CCOCC1)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389701	341.426	GMPFBPMAIBGNSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092907
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)C1CCCC1)OC(C)(C)C	PC-id_57518506,SCHEMBL826919	341.426	WHHCOBSLRONROU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092908
O=C(NS(=O)(=O)c1cnc2n1CCC2)COC1CCCCC1C	EMOLS-id_110389723	341.426	KEYCGJHCLAQFAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092909
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)OC1COCC1	EMOLS-id_100231294	341.426	MHAIVXADIKVISQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092910
C1Cc2c(C1)[nH]nc2CNC(=O)CCc1ccc(o1)c1cccs1	EMOLS-id_55632560,MCULE-7550662684,PC-id_91770528	341.427	SIEJCJFBTKQXDF-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-092911
C1(CC(=O)N(C)C1c1ccccc1)C(=O)Nc1sc2c(CCC2)n1	MCULE-7798661519,EMOLS-id_323358127	341.427	CTTJAZSORQTILA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092912
c1(CN(Cc2ccco2)C(=O)c2cccs2)c2CCCc2n(C)n1	MCULE-4750784941,EMOLS-id_50145220,PC-id_86266523	341.427	GNSYMTUIUJRCNI-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-092913
c1(sc2c(CCC2)c1C#N)NC(=O)N(CCO)Cc1ccccc1	STOCK6S-06773,ZINC22_6662039,EMOLS-id_4734834,PC-id_8030425,MCULE-6687210941	341.427	JTWNIHFVMIIUKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092914
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(Cc2ccccc2)C1	EMOLS-id_323415169,MCULE-2728623883	341.427	FDKUZVUTDGVPTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092915
Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_33336640,MCULE-7025220275,PC-id_51110565	341.427	XOXKMYVAEAGPGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092916
Cc1ccc(CN(Cc2ccco2)C(=O)c2cn3c(n2)CCC3)s1	MCULE-4606793051,EMOLS-id_316536428,ZINC22_579356087	341.427	FOICGFFFFJOLSK-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-092917
Cc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)CCC4)CC2=O)cc1	PC-id_33039214,ZINC22_25767552	341.427	XOXKMYVAEAGPGW-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092918
Cc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)CCC4)CC2=O)cc1	ZINC22_25767550,PC-id_33039212	341.427	XOXKMYVAEAGPGW-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092919
Cc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)n1Cc1ccco1	MCULE-3802881783,ZINC22_52397573,EMOLS-id_36992046,PC-id_56809269	341.427	DQOXMEHQKUISOZ-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-092920
Cc1ncc(c(n1)C)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170425	341.427	SJZQSSAYUPVIQD-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-092921
O=C1CN(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CCN1	EMOLS-id_33308046,ZINC22_58356823,PC-id_51083325,MCULE-8555417920	341.427	HOJKZRJAOQIIEX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092922
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1nc2c(s1)CCC2	ZINC22_9483223,CoCoCo_4164351,PC-id_17402525,MCULE-1329389649,EMOLS-id_11911737	341.427	QZLCLYFKROOBSG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092923
O=C(N1CCc2c1cc(s2)C(=O)NCCc1ccncc1)C1CC1	PC-id_97524534	341.427	QTTKNENVECMOPR-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-092924
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccsc1	PC-id_92109451	341.427	XXUNSCKXAMPVEO-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-092925
O=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)C1CC1	PC-id_97442346,EMOLS-id_44303612,ZINC22_96146819	341.427	OXCVWEUUFGNRMS-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-092926
O=C(NCCc1cccnc1)c1cc2c(s1)CCN2C(=O)C1CC1	PC-id_97524529,ZINC22_96264590,EMOLS-id_44379028	341.427	AMJBAWBHUQHXHY-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-092927
s1c2CCCc2cc1C(=O)NN=C(c1cc(NC(=O)C)ccc1)C	PC-id_85015559	341.427	MPGDIEZXHQLIFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092928
s1c2CCCc2cc1C(=O)N/N=C(c1cc(NC(=O)C)ccc1)/C	PC-id_9462615	341.427	MPGDIEZXHQLIFS-JAIQZWGSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092929
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCC=C	PC-id_16947522	341.427	VEEVHTDYZIFNAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092930
s1c2CCCc2nc1NC(=O)c1ccc(N2CCCCC2=O)cc1	PC-id_33040526	341.427	ZRZFSUYQSXYTDZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092931
s1c2CCCc2nc1NC(=O)c1cc(NC(=O)C2C(C2)C)ccc1	PC-id_46431002	341.427	PUTYGLYTHRNRFN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092932
s1c2CCC(C(=O)N3CCCC3)c2nc1NC(=O)c1ccccc1	PC-id_16947018	341.427	QWKHVIKEPLSUEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092933
s1c2c(nc1NC(=O)c1ccc(cc1)C)C(CC2)C(=O)NC1CC1	PC-id_16947629	341.427	PLOWVRXCHZFKDD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-092934
C[C@H](NC(=O)C1CCN(S(=O)(=O)C)CC1)c1nnc2n1CCC2	PC-id_97089728,ZINC22_89913803	341.429	RVBOUCKEEOHSOK-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-092935
C[C@@H](NC(=O)C1CCN(S(=O)(=O)C)CC1)c1nnc2n1CCC2	ZINC22_89913804,PC-id_97089729	341.429	RVBOUCKEEOHSOK-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092936
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)C)C1)c1nnc2n1CCC2	PC-id_97089724,ZINC22_89913799	341.429	CFWBLYKBKFCTBH-WDEREUQCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092937
C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)C)C1)c1nnc2n1CCC2	PC-id_97089725,ZINC22_89913800	341.429	CFWBLYKBKFCTBH-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092938
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)C)C1)c1nnc2n1CCC2	ZINC22_89913801,PC-id_97089726	341.429	CFWBLYKBKFCTBH-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092939
C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)C)C1)c1nnc2n1CCC2	ZINC22_89913802,PC-id_97089727	341.429	CFWBLYKBKFCTBH-MNOVXSKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-092940
CC(=O)N1CCN(CC1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201071	341.429	IUTOFUIOBHGWGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092941
CN(CC(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100205002	341.429	AMUFFTUBVIUTIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092942
CNC(=O)CN1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173860	341.429	DOACZKJUFOOZAZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092943
CNS(=O)(=O)[C@H]1CCCN(C(=O)c2c(CN)nn3c2CCC3)C1	ZINC22_2325849305	341.429	LJGJYNUXJWXGQG-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-092944
CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c(CN)nn3c2CCC3)C1	ZINC22_2325849306	341.429	LJGJYNUXJWXGQG-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092945
NCCNC(=O)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	PC-id_121700394,EMOLS-id_302994815,MCULE-7359233049	341.429	MSRYGOSIXFTIMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092946
NC(=O)C(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100220995	341.429	ANAKLXVGGHLXSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092947
O=C(C1CCCN(C1)S(=O)(=O)C)NC(c1nnc2n1CCC2)C	PC-id_71896171,EMOLS-id_45751136,MCULE-8584633383	341.429	CFWBLYKBKFCTBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092948
O=C(C1CCN(CC1)S(=O)(=O)C)NC(c1nnc2n1CCC2)C	MCULE-2542565215,PC-id_71896172,EMOLS-id_45751134	341.429	RVBOUCKEEOHSOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092949
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)CCN1CCCCC1	PC-id_68442366,SCHEMBL2923363	341.429	WYPKHWVKFQXLEO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092950
s1c2CCCc2cc1C(=O)Nc1sc(SCC(=O)O)nn1	PC-id_61283573	341.429	XVAAOGIXTPKUKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092951
s1c2c(CCC2)c(c1NS(=O)(=O)c1sc(=O)[nH]c1C)C#N	PC-id_60985037	341.429	NPNYXYPDKIDQBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-092952
c1(CN(C)Cc2ccc(Sc3ncccn3)o2)[nH]nc2CCCc12	EMOLS-id_31609468,ZINC22_55166297,MCULE-1058198034,PC-id_46987944	341.431	KTWFTGKEJONQTE-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-092953
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)cc(nn1C)c1cccs1	EMOLS-id_55603576,MCULE-3574016129,PC-id_91760280	341.431	GVXCDZZOGPWMIH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-092954
c1(C(=O)N(C)Cc2c3CCCc3[nH]n2)[nH]nc(c2ccc(C)s2)c1	PC-id_70781472,MCULE-5048267741,ZINC22_92028304,EMOLS-id_44745500	341.431	HLWCREUQPCXFJY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-092955
c1(N(C)C)ncc(CCC(=O)Nc2sc3CCCc3c2C#N)cn1	MCULE-6068454193,EMOLS-id_328081378	341.431	LTCWZNSXNVIWJO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-092956
Cc1cccc(CN2Cc3[nH]nc(COCc4nccs4)c3C2)n1	EMOLS-id_44372018,ZINC22_96260234,CHEMBL3552803,PC-id_97520311	341.431	DZEGDYYPXVILFG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-092957
Cc1cnn(C2CN(CC(=O)Nc3sc4c(c3C#N)CCC4)C2)c1	ZINC22_72253834,PC-id_72141433,MCULE-7857909083,EMOLS-id_42881244	341.431	KKKJQQQXIHEQDO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-092958
Cc1sc(n2cccc2)c(C(=O)NCc2nnc3n2CCC3)c1C	ZINC22_32906579,EMOLS-id_23985278,CoCoCo_4658169,PC-id_40143091,MCULE-5226499779	341.431	QTHVGTMXFPRQIE-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-092959
O=C(c1cc(n(c1C)c1nccs1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318789432	341.431	UOULWIALDCGMNC-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-092960
O=C(c1csc(n1)c1ccc(n1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319897713,MCULE-3598444872	341.431	XODHIHFPMGTNIS-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-092961
S1CCn2c1nc(NC(=O)c1ccc(N(CCC)C)cc1)c2C#N	PC-id_60324265	341.431	OLMLWPLNAMCVHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092962
S(=O)(=O)(Nc1sc2CCCc2n1)c1n2c(scc2)nc1N	PC-id_62152745	341.432	SFFHNSUIRLAUPA-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-092963
c1(CN(C)Cc2cccc(OC)c2OCC(=C)C)[nH]nc2CCCc12	ZINC22_55393323,PC-id_46998580,MCULE-6517967314,EMOLS-id_31624851	341.447	NIPQAWVRHSTBGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092964
c1(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)c2CCCc2[nH]n1	MCULE-3935901209,EMOLS-id_43152516,PC-id_70764380,ZINC22_72463466	341.447	NLNHYYNVANBGRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092965
c1(C(=O)OC(C)(C)C)n(C(C)C)nc2CN(Cc3ccccc3)Cc12	EMOLS-id_324348772,MCULE-5592890507	341.447	OZNVYHDBBOPZHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092966
Cc1ccc(c(c1)OCC1CCCO1)CNC1CC(n2c1ncc2)C	EMOLS-id_318040901	341.447	XVHOTWJNDYKOSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092967
Cc1oc(c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109843	341.447	NONAAZWPLGDXCW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-092968
CN(C)CC(O)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328212603,MCULE-9189848997	341.447	CHRWBWQMZUSFRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092969
O[C@@H]1CC[C@H](CC1)N(Cc1nn2c(c1)CCC2)Cc1cccc(c1)O	EMOLS-id_319681099	341.447	SWHJXFLTFZYYSV-UAPYVXQJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092970
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CCCCC1	PC-id_92109320	341.447	BDJPUFSGBKVMOI-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-092971
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC1CCCC1	PC-id_92109327	341.447	LCRIIHDMCBZCRZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-092972
O=C(OCc1csc(c2ccccc2)n1)c1cc2c(s1)CCC2	PC-id_7238748,MCULE-9275992956,EMOLS-id_11705904,ZINC22_4462197,CoCoCo_2840761	341.447	RUUHKLOYALHBGD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092973
CCN(CC)Cc1nc2CN(Cc2o1)S(=O)(=O)c1cccs1	ZINC22_96260260,PC-id_97520335,CHEMBL3552510,EMOLS-id_44372078	341.449	JTQSSQHGEMBQPX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-092974
s1c2CCCc2cc1C(=O)NNC(=S)NCCCC(=O)OC	PC-id_9093966	341.449	YZFBZIXJSNJRGR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-092975
s1c2c(CCC2)c(c1NC(=S)NN1CCOCC1)C(=O)OC	PC-id_19653748	341.449	FZTGLQPDLQCDGP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092976
c1(c(C)nc(c2ccccc2)s1)C(=O)/N=c
/sc2c(CCC2)[nH]1	ZINC22_15636969,MCULE-6159116672,STOCK7S-14493,EMOLS-id_46560171,CoCoCo_4164307,PC-id_26723418,EMOLS-id_24052636	341.45	BRLXEKWDGGZQDX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092977
c1(sc(nc1c1ccccc1)C)C(=O)Nc1sc2c(CCC2)n1	PC-id_60175425,ZINC22_15637058,EMOLS-id_43038486,MCULE-7990630829,STOCK7S-28120,EMOLS-id_46564648	341.45	ZINBKIAOVQGSAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092978
Cc1ccc(c2nc(C(=O)Nc3nc4c(s3)CCC4)cs2)cc1	ZINC22_15637015,MCULE-4067804749,CoCoCo_4164321,PC-id_26723436,EMOLS-id_24031700	341.45	CPDLHAXRSAZUAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092979
O=C(Cc1csc(c2ccccc2)n1)Nc1nc2c(s1)CCC2	MCULE-1483247901,EMOLS-id_33336654,PC-id_26723430,ZINC22_15637000	341.45	SYOPYBBSOSSQCD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092980
O=C(Nc1nnc(Cc2ccccc2)s1)c1cc2c(s1)CCC2	MCULE-9755175871,PC-id_16359136,CoCoCo_3222108,ZINC22_9502511,EMOLS-id_43813562	341.45	UOORCYGOWQYGKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092981
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(ccc1)C)C#N	PC-id_4955481	341.45	XNSJDCBGIITLGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092982
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(cc1)C)C#N	PC-id_4955491	341.45	RSSWZRBEECXEKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092983
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(cccc1)C)C#N	PC-id_4955494	341.45	ANKPZCRRQCRMIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092984
s1c2CCCc2c(c1NC(=S)NC(=O)Cc1ccccc1)C#N	PC-id_4955488	341.45	UELGBBFCNZZPMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-092985
c12CN(Cc1n(nc2)CCO)CCN1CCN(CC1)c1ccccc1	PC-id_91842227,ZINC22_252490728,EMOLS-id_55698551,MCULE-2045826734	341.451	KZVMMQGDLCEXBZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-092986
c1(C(=O)Nc2sc3c(CCC3)n2)nc(sc1c1ccccc1)C	MCULE-4446092993,EMOLS-id_323449351	341.451	RPKGATZKDZOOTF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-092987
Cc1cc(C)cc(C[C@@H](C)NC(=O)NCCc2nnc3n2CCC3)c1	ZINC22_86425078,PC-id_97048842	341.451	GNXPVQSETJQVMJ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092988
Cc1cc(C)cc(C[C@H](C)NC(=O)NCCc2nnc3n2CCC3)c1	ZINC22_86425079,PC-id_97048843	341.451	GNXPVQSETJQVMJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092989
Cc1ccc(N(C)C(C)C)c(C(=O)NCCc2nnc3n2CCC3)c1	MCULE-2630577439,EMOLS-id_45652981,PC-id_71929779,ZINC22_89611929	341.451	ASWBTQUOBXQZAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092990
CC1OC(C)CN(C1)c1ccc(cn1)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318367816,MCULE-9418100027	341.451	CBYMYOGOOUZPEQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-092991
CC1OCCN(C1)Cc1cccc(c1)CNC1CC(n2c1ncn2)C	EMOLS-id_319089248	341.451	FOJSUHRGNSOTTM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-092992
CC(c1ccc(c(c1)C(C)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319611201	341.451	YXYCQKDNWPHPKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092993
CC(Cc1cc(C)cc(c1)C)NC(=O)NCCc1nnc2n1CCC2	PC-id_75378371,EMOLS-id_48254579,MCULE-1163232766	341.451	GNXPVQSETJQVMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092994
CCN(c1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1)C(C)C	MCULE-2874408184,ZINC22_65588047,PC-id_53548472,EMOLS-id_35750611	341.451	GYXRSFDUUIKKQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092995
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)C1(C#N)CCCC1)C2	EMOLS-id_313734867,ZINC22_1565553097	341.451	KMFCAPCBIOVFTM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-092996
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCCCN(C)c1ccccc1	EMOLS-id_317425761,MCULE-1520801943	341.451	PYAVSLHRRMXEJH-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092997
COc1cccc(c1)C(N1CCCC1)CNC1CC(n2c1ncn2)C	MCULE-3969198444,EMOLS-id_319998450	341.451	BVMUHIJRXWOFBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-092998
n12nc(nc1sc(=CC1CCC=CC1)c2=O)C=Cc1cccs1	MCULE-2226851303	341.451	ZRGQJIRFAJAURZ-UHFFFAOYSA-N	00000000100111000001000010000000000000000000000000000000	25-01-092999
OC1CCN(CC1)Cc1ccccc1CNC1CC(n2c1ncn2)C	EMOLS-id_319124877	341.451	VRBUIVHVADQDAG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093000
OCC1CCCN1Cc1ccccc1CNC1CC(n2c1ncn2)C	EMOLS-id_319101484	341.451	XSQVLJIMIOEALC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093001
OCC1CCN(CC1NC1CC(n2c1ncn2)C)Cc1ccccc1	EMOLS-id_279083247	341.451	AIFGSRYKGIGRNW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093002
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1c(cccc1C(C)C)C(C)C	EMOLS-id_319652702	341.451	NTNDXRJXALJLNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093003
O=C(Nc1c(C(C)C)cccc1C(C)C)NCc1n2CCCc2nn1	PC-id_52186703	341.451	WNTOMQMDOXXQNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093004
O=C(NC(c1n2CCCc2nn1)C(C)C)N(Cc1c(cccc1)C)C	PC-id_60273747	341.451	VKOGFNAFRFBOAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093005
O=C(NC(c1n2CCCc2nn1)C(C)C)NC(c1c(cccc1)C)C	PC-id_60273868	341.451	MGZVCQQATZXSKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093006
c1(CN2CCN(CC2)c2ccc(nn2)C(C)(C)C)nnc2CCCn12	MCULE-4309481466,ZINC22_1888842840,EMOLS-id_323896822	341.454	NUZGEBXLSALVPR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093007
c1(CN2CCN(CC2)c2ccnc(NCC)n2)c2CCCc2nn1C	EMOLS-id_337124808,ZINC22_2087122887,MCULE-5304778770	341.454	ZIRMHVXCOPODCY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093008
c1(CN2CCN(CC2)c2ccnc(N(C)C)n2)c2CCCc2nn1C	EMOLS-id_337691901,MCULE-5605525080	341.454	SQYLXNZKISNHTR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093009
c1(CN2CCN(CC2)c2nccc(NCC)n2)c2CCCc2nn1C	EMOLS-id_337698805,MCULE-9774771156	341.454	FMPWUNQJQDCEPJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093010
c1(CN2CCN(CC2)c2nccc(N(C)C)n2)c2CCCc2nn1C	MCULE-8802697735,EMOLS-id_337691645	341.454	UHBGXYQVIAXKBX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093011
c1(CN2CCN(CC2)c2ncnc(N(C)C)c2)c2CCCc2nn1C	MCULE-6683049223,EMOLS-id_337123268,ZINC22_2087121974	341.454	UPQICFRYJRTJDT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093012
CCCc1nnc2n1N=C(C2Nc1ccc(nc1C)N(CC)CC)C	PC-id_118582133,SCHEMBL17342977	341.454	XXRQRHVIYYWCCW-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-093013
CN=C(/C=CC1=Cc2n(C1F)c(cc2)C)CCN(C(=C)CCC=C)C	PC-id_143366452	341.466	UCZCCKXDQQHRML-PSFLBVRUSA-N	00000011100000000000000010000000000000000000000000000000	25-01-093014
s1c2c(CCC2)c(OCC(O)CNC(C)(C)C)c1C(=O)OCC	PC-id_3069892	341.466	CYYGWOYIZFGDFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093015
Cc1sc(c2c1C(=O)N(C2=O)CCCCCCc1ccccc1)C	PC-id_117982940,SCHEMBL16604967	341.467	TYEXYOGHZMBXJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093016
CCCOC(=S)C1CCn2c1ccc2C(=O)c1ccc(c(c1)C)C	SCHEMBL11173112,PC-id_20492843	341.467	FDAAAZLUDGKBDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093017
CN([C@@H]1Cc2c(C1)c(sc2C(=O)/C=C/c1ccc(c(c1)C)O)C)C	PC-id_143295746	341.467	YDKILTVQBHLVRC-VFADXPBXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093018
O=C1N(CCCCCCCCc2ccccc2)C(=O)c2c1csc2	PC-id_142735123	341.467	CKASPPANWVTLFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093019
O=C(c1cc2c(s1)CCC2)N1CCC(OCc2ccccc2)CC1	MCULE-6222718755,EMOLS-id_29980473,CoCoCo_4384659,PC-id_45860960,ZINC22_40017871	341.467	IUHCETMYUHMBFW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-093020
OC(c1ccccc1)CC1CCCN1C(=O)c1sc2c(c1)CCC2	PC-id_111472393	341.467	ALOYWFWGUFXEFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093021
O=C(NCc1cc2c(s1)CCC2)C1(c2ccccc2)CCOCC1	EMOLS-id_48780954,ZINC22_58340953,PC-id_51095279,MCULE-1083386499	341.467	AKSGEQGDRDBLMQ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-093022
s1c2c(CCC2)c(c1N=Cc1c(cc(cc1C)C)C)C(=O)OCC	PC-id_23881118	341.467	DEIVJGGQFQVPCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093023
s1c2c(CCC2)c(c1N=Cc1ccc(C(C)C)cc1)C(=O)OCC	PC-id_23857276	341.467	IAARUFCDZTZDEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093024
s1c(C(=O)N2CCC(CC2)C(O)c2ccccc2)cc2CCCc12	PC-id_78856417	341.467	WQOOIZDSEOEFOX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-093025
c1(C(=O)N2CCC(CC2)Sc2cccc(C)c2)c2CCCc2[nH]n1	EMOLS-id_43571047,ZINC22_77377421,MCULE-8207977262,PC-id_70731757	341.47	XAIFGYBSJHUWEC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093026
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)n(C)nc2CSCc12	MCULE-9526093688	341.47	NQMHOVQCQIOQOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093027
Cc1ccccc1C1CCN(C1)CC(=O)Nc1nc2c(s1)CCC2	EMOLS-id_316835367,PC-id_134813119,MCULE-6727398607	341.47	AGHAHRKULWVIPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093028
Cc1ccccc1[C@H]1CCN(CC(=O)Nc2nc3c(s2)CCC3)C1	ZINC22_507192332	341.47	AGHAHRKULWVIPF-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093029
Cc1ccccc1[C@@H]1CCN(CC(=O)Nc2nc3c(s2)CCC3)C1	ZINC22_507192333	341.47	AGHAHRKULWVIPF-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093030
Cc1ccc(cc1)SC1(CCCC1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318221290	341.47	JESLERDKMQFIEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093031
CC(C)(C)c1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324851425	341.47	OHICCFVMUSLYMY-KAMYIIQDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093032
CC(C)Cc1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324857581	341.47	XHTQHBQLZWXFES-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093033
CCC(CC)c1nc2s/c(=Cc3ccc(cc3)C(C)C)/c(=O)n2n1	EMOLS-id_324852970	341.47	LTZNLBNBSSBHRM-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093034
CC(=Nc1c(c2c(s1)CCC2)C(=C)NCc1ccccc1OC)N	PC-id_89384494,SCHEMBL14623886	341.47	JJPQXZLDNFIZPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093035
CN1CCN(c2ccccc2NC(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_3551378,ZINC22_7735473,CoCoCo_3671544,MCULE-8351154451,CoCoCo_3671543,PC-id_8850444	341.47	PZCJTEBFDJXTCR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093036
CN1CCN(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CC1	ZINC22_59005383,EMOLS-id_44515188,PC-id_71902718,MCULE-7556816505	341.47	MLCOJDYHNQBQHE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093037
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccc(cc1)C(C)(C)C	EMOLS-id_334561721	341.47	NQMHOVQCQIOQOD-JXMROGBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093038
n12c(=O)c(=Cc3ccc(cc3)C(C)(C)C)sc1nc(C(C)(C)C)n2	MCULE-7198783850	341.47	OHICCFVMUSLYMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093039
n12c(=O)c(=Cc3ccc(C(C)C)cc3)sc1nc(C(CC)CC)n2	MCULE-2985084378	341.47	LTZNLBNBSSBHRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093040
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CC(C)C	MCULE-6445883992	341.47	XHTQHBQLZWXFES-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093041
n1c2CCCc2sc1CCNC(=O)[C@H]1CC[C@H](c2ccccc2)N1	ZINC22_1857722361,MCULE-7288774189,EMOLS-id_330476057	341.47	FQZACIZXCZKEIT-GDBMZVCRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093042
O=C(C1(CCCN1)c1ccccc1)NCCc1sc2c(n1)CCC2	EMOLS-id_319480328	341.47	DHWDFENQQWWPJP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093043
O=C(c1sc2c(c1)CCC2)NCc1ccnc(c1)N1CCCCC1	PC-id_87005235	341.47	LZFQTSUFLBVYSE-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-093044
O=C(CC1CC(C1)c1ccccc1)NCCc1nc2n(c1)CCS2	EMOLS-id_318066284	341.47	YASVUSQBULSQNX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-093045
O=C(N(C1CCNCC1)Cc1ccccn1)c1sc2c(c1)CCC2	EMOLS-id_320122152,MCULE-6365057868	341.47	OHJUPSPGIGJVNH-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-093046
O=C(NCc1ccc(N2CCCCC2)nc1)c1cc2c(s1)CCC2	EMOLS-id_33351194,MCULE-3979083885,PC-id_51116637,ZINC22_58357012	341.47	ZRKNVMUFRPNFEK-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-093047
s1c2CCCc2cc1C(=O)NN=Cc1ccc(N(CC)CC)cc1	PC-id_84965640	341.47	GLWQCGQJLDYMFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093048
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(cccc1)C	PC-id_44060352	341.47	UYFAMRMJILWLOO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093049
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(ccc1)C	PC-id_44060353	341.47	UXVUIDSMZBOAPV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093050
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(cc1)C	PC-id_44060354	341.47	FKTRRQWNCBNHLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093051
s1c2CCCc2nc1CN1CCN(CC1)C(=O)Cc1ccccc1	PC-id_44060401	341.47	CXMXLILXSOAVQX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093052
CN1CCN(CC1(C)C)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97685221	341.472	DXCZXOAQKAYNFV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093053
s1c2c(CCC2)c(c1NC(=O)CSC1=NCCS1)C(=O)N	PC-id_4150668	341.472	DPRBZVCJPXVGKQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-093054
Nc1nnc(SCC(=O)NCCc2nc3CCCc3s2)s1	EMOLS-id_316260904,ZINC22_1506405930,MCULE-6663423099	341.475	DMXGBXVBPJILQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093055
CCCCCCCCS(=O)(=O)C1=NC(=O)c2c1c(C)sc2C	SCHEMBL17339802,PC-id_118579459	341.489	IBKOYKJIGVNXCX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-093056
CCCCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	PC-id_94870619,ZINC22_60855724	341.489	AHTSRLDVFFOFJA-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093057
CCCCN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_71831377,PC-id_95586402	341.489	AHTSRLDVFFOFJA-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093058
CCCCN(C(=O)c1sc2c(c1)CCC2)C1CCS(=O)(=O)C1	EMOLS-id_36906839,MCULE-9655112307,PC-id_56810017	341.489	AHTSRLDVFFOFJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093059
s1c2c(CCC2)c(c1NC(=O)CSCC(C)C)C(=O)OCC	PC-id_55315341	341.489	PDDRIVVAAQRGBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093060
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)Cc1cc(ccc1)C	PC-id_9163480	341.49	RSOLPKMRHMNCRE-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-093061
s1c2CCCc2cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	PC-id_9536290	341.49	NWQYTOXFOHUOKK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-093062
s1c2CCCc2cc1C(=O)NCc1c(C[NH+]2CCCC2)cccc1	PC-id_9142834	341.49	CGIZFTWEZHLONV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-093063
s1c(C(=O)N2CC[NH+](CC2)Cc2c(cccc2)C)cc2CCCc12	PC-id_9162529	341.49	AOZOVJVGUCYHFQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-093064
CC1CS(=O)CCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010878	341.492	MJNUOBQBWXSGPT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-093065
O=S(=O)(N[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1)C1CC1	ZINC22_1889108566	341.492	RNUNHSHEPUFHJM-LLVKDONJSA-N	00100010100010000001000010000000000000000000000000000000	25-01-093066
O=S(=O)(N[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1)C1CC1	ZINC22_1889108567	341.492	RNUNHSHEPUFHJM-NSHDSACASA-N	00100010100010000001000010000000000000000000000000000000	25-01-093067
s1c2c(CCC2)c(c1NC(=S)NCCCN(C)C)C(=O)OC	PC-id_19652022	341.492	DDFNPYLCDOVCQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093068
CCOC(=O)c1nn2c(n1)C(CC2CC)CS(C(C)(C)C)(C)C	PC-id_138515807,SCHEMBL20867601	341.512	MNIHZEYKCAGTBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093069
Clc1ccnc(c1C(=O)N1Cc2c(C1)cnn2C)Br	EMOLS-id_319314399	341.591	HRCFDBKDDJAWIS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093070
O=C(c1c(Cl)ccnc1Br)NC1CCn2c1ncc2	EMOLS-id_319335044	341.591	LQKWNLBFOHXFFW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093071
Clc1cccc(c1C(=O)c1sc2c(c1)CCC2)Br	PC-id_114269128	341.651	CPRYWCDYLMQYFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093072
Brc1ccc(CC(Cl)c2sc3c(CCC3)c2)cc1	PC-id_63520225	341.694	RXNJXBUYZQGBAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093073
Brc1cc(CC(Cl)c2sc3c(CCC3)c2)ccc1	PC-id_63543393	341.694	DARKHPJNRUECGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093074
BrC(c1sc2c(CCC2)c1)Cc1ccc(Cl)cc1	PC-id_55223897	341.694	FWOGBJRZYPMKII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093075
BrC(c1sc2c(CCC2)c1)Cc1cc(Cl)ccc1	PC-id_63529415	341.694	QFDAIKOOAKFCOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093076
BrC(c1sc2c(CCC2)c1)Cc1c(Cl)cccc1	PC-id_63542541	341.694	JNEUGJIVEHJXCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093077
FC(Oc1ccc(cc1Cl)C(=O)NCc1cnc2n1CCC2)F	EMOLS-id_319320421	341.74	MMCSMPUGKMIXJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093078
FC(Oc1ccc(cc1C(=O)NCc1n[nH]c2c1CCC2)Cl)F	EMOLS-id_318860738	341.74	IFTSQVDXBGWQKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093079
ClS(=O)(=O)c1cnn2CCN(C(=O)OCc3ccccc3)c12	EMOLS-id_259551858,MCULE-2367513509	341.77	PIJMBFNQQJWKHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093080
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68440240,SCHEMBL2917214	341.773	XMKDJCYTMXCZSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093081
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2919081,PC-id_68440819	341.773	ZRJVKRSUODZJKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093082
Clc1c(C(=O)Nc2n[nH]c3CN(S(=O)(=O)N)Cc23)cccc1	SCHEMBL2919498,PC-id_68440966	341.773	CQMAHMBQUJACIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093083
Cn1cc(C(=O)N=c2cc3n([nH]2)CCC3)c(c2ccccc2Cl)n1	EMOLS-id_324075084,PC-id_146100558,ZINC22_1857530891,MCULE-5182428415	341.795	OLRMDMFVTXCRLG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093084
Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1cccc(Cl)c1)C2	ZINC22_96084486,PC-id_97405312,EMOLS-id_46181977	341.795	BWNNIABOAIHPNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093085
Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccc(Cl)cc1)C2	ZINC22_96259108,EMOLS-id_44369766,PC-id_97519197	341.795	VZYIGPMHNWHRID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093086
CC(Oc1ccc(cc1Cl)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_319745717	341.813	WOHIDWFPXGUYSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093087
COc1ccc(cc1Cl)S(=O)(=O)NCc1n[nH]c2CCCc12	EMOLS-id_316185545,ZINC22_1506396020,MCULE-5231371727	341.813	DTDNZLSVAZAOEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093088
COc1cc(Cl)ccc1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319649969	341.813	SJQSAWAAZQSHRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093089
COCc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316443731,MCULE-8665210473	341.813	ZEUUUZWNQIXRPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093090
Clc1cnn(c1)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99522314	341.816	IIBAIHBCBYTBEM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-093091
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C(=O)OC	CoCoCo_5018643,EMOLS-id_5475006,PC-id_841751,ChEMBL-DNDi_CHEMBLF0882-1144,ZINC22_371934,MCULE-5384019484,SPECS-id_AK-968/40946149	341.833	QAAHSNSLKQWUBD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093092
Clc1ccc(cc1)CNC(=O)c1sc2c(c1)CS(=O)(=O)C2	MCULE-7901197015,EMOLS-id_16064891,PC-id_20882716	341.833	GTQNEFIJKYACFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093093
O=C(c1scc(c1Cl)C)Nc1sc2c(c1C(=O)O)CCC2	PC-id_103399964	341.833	VJTWZDUAKHNHRA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093094
O=C(NCc1ccccc1Cl)c1cc2c(s1)CS(=O)(=O)C2	PC-id_20885890,CoCoCo_2180605,CHEMBL1865638	341.833	NTWYFURUIVIRJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093095
CC(C(C(=O)N(Cc1nnc2n1CCC2)C)NC(=O)C(Cl)C)C	MCULE-5317204925,PC-id_145901037	341.836	SCZZVTJUPDKIQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093096
Clc1sc2CCC(Nc3ccc(S(=O)(=O)CC)cc3)c2c1	PC-id_81233602	341.876	IWNJFKGMLSQGPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093097
Clc1sc2c(C(Nc3c(ccc(S(=O)(=O)C)c3)C)CC2)c1	PC-id_81234787	341.876	OOJLUIVIUJMECB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093098
Clc1sc2c(C(Nc3c(S(=O)(=O)CC)cccc3)CC2)c1	PC-id_81234384	341.876	RNSSOZWVLDFBNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093099
Clc1sc2c(C(NCc3ccc(S(=O)(=O)C)cc3)CC2)c1	PC-id_81246646	341.876	VTZBNMDZWVCTEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093100
Clc1sc2c(C(NC(CC(=O)OC)c3sccc3)CC2)c1	PC-id_81235315	341.876	VCRHQDZDEDLNRB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093101
c1(C(=O)/N=c/2sc3c(CCC3)[nH]2)nc(sc1CC(C)C)Cl	MCULE-7849716467,PC-id_75490352,STOCK7S-47319,ZINC22_96232081,EMOLS-id_50402962,EMOLS-id_49249059	341.879	OGEISSLRYKKGKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093102
Clc1ccc(s1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030680	341.879	YHAPKRCGFCLKRW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093103
ClCC(C(=O)N1CCN(CC1)Cc1sc2c(n1)CCC2)(C)C	PC-id_44060350	341.899	ZROFLIFCLFLWAY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093104
Brc1sc(Br)c2c1C(=O)C(O)(O)C2=O	CoCoCo_5777811,PC-id_399789,NSC710884	341.961	CPYBQJIFYCVZDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093105
C1CN2C(=C(C(=O)N2C1)NCS(=O)(=O)O)NCS(=O)(=O)O	PC-id_155025767	342.03	ASESBKBISOIQHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093106
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1C(=O)C3=CC=CC=C3F	PC-id_152261691	342.074	WHLSHIUXKMEGCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093107
c12CN(Cc1nn(CC(F)(F)F)c2Br)C(=O)OCC	EMOLS-id_324339309,MCULE-1663240231	342.112	YZGBWYQXHBLKIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093108
OCC(C(F)(F)F)NC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319562743	342.112	QNJOHTLIXZXUTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093109
CC1=C(C=CC(=C1)NC(=O)C2=C(C(=C3N2CCC3)C(=O)C(=O)C)C)F	PC-id_148880556	342.138	PCZBXSOXEVBFBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093110
Fc1ccc(c(c1)F)NC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319970649,MCULE-6290691043	342.139	OILZIUOVQJGRIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093111
C1COCCN1CC2=CC=C(C=C2)CCC3=C4CNC(=O)C4=CS3	PC-id_153374630	342.14	IIMZNKYAWXWWQY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093112
Clc1c2n(CCC2C(=O)O)c(c1Cl)C(=O)c1ccc(F)cc1	SCHEMBL11007122,PC-id_20405032	342.149	WEWYIZHCKNDILH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093113
COc1c(Cl)cc(c(c1C(=O)N1Cc2c(C1)cnn2C)Cl)O	MCULE-5311408113,EMOLS-id_320046252	342.177	BHZRCKUFHYAMMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093114
COc1c(Cl)cc(c(c1C(=O)NC1CCn2c1cnc2)Cl)O	EMOLS-id_318983940	342.177	LYMUNGLGPAMSTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093115
COc1c(Cl)cc(c(c1C(=O)NC1CCn2c1ncc2)Cl)O	EMOLS-id_320048576,MCULE-8543502138	342.177	KFZCCBFTZATTFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093116
c12CN(Cc1nn(CC(F)F)c2Br)Cc1ccccc1	EMOLS-id_324339566,MCULE-8592974644	342.182	BGTDYIGOIZKVAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093117
COC(=O)C1(CNC(=O)c2nc3n(c2Br)CCC3)CC1	ZINC22_585089478,EMOLS-id_177290440,MCULE-1157164880	342.188	PVSNQCMCAOMEOL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-093118
CC1=C(N2CCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=CN3C	PC-id_153820257	342.194	DQRNWUZIOSDBNZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-093119
CCCCN1C=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)OC(C)C	PC-id_148548979	342.194	DHLNRHZOUYOAOD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-093120
CCCCN1C=CC=C1C(=O)C2=C(C=C3N2CCC3C(=O)O)CCC	PC-id_153806073	342.194	LNWQRZRJORLTGC-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-093121
COCc1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324902404	342.2	AKLOTQRQNURGHC-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093122
COCc1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324900867	342.2	NYIWHOIIGLCZFV-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093123
COCc1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324899332	342.2	KCVIFZFLAULTII-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093124
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)COC	MCULE-2868529889	342.2	NYIWHOIIGLCZFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093125
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)COC	MCULE-4212254645	342.2	KCVIFZFLAULTII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093126
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COC	MCULE-8760725900	342.2	AKLOTQRQNURGHC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093127
CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)CC3=C4CCCC4=NN3C	PC-id_154770799,MCULE-3737511642,EMOLS-id_317328659	342.206	KXOGRNXZPJSYOL-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093128
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)C=C1CCC1	EMOLS-id_316555112	342.208	CACKRJAQGTVIJJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-093129
Brc1cccc(c1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_318994261	342.212	SMWHEABOCPYREK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093130
Brc1ccc(cc1C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319650451	342.212	YDQBLPVIDQLQDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093131
Brc1ccc(c(c1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_316742405	342.212	OETGUVWLMOAQAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093132
Cc1cc(ccc1Br)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_317967181	342.212	QHYOOVPKYQDLBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093133
Cc1ccc(c(c1)Br)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-3867189989,EMOLS-id_316432043	342.212	QHKSPIBZEMWESS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093134
Cc1ccc(c(c1)Br)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319305766	342.212	NVKGVWGDUVSSKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093135
Cc1ccc(c(c1)S(=O)(=O)N1CCn2c1ncc2)Br	EMOLS-id_316709619	342.212	PJEWTWDBDPOJLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093136
Cc1ccccc1S(=O)(=O)N1CCn2ncc(Br)c12	ZINC22_952994876,EMOLS-id_316994824,MCULE-3242272277	342.212	XCZTUVRFIGZWEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093137
Cc1cccc(S(=O)(=O)N2CCn3ncc(Br)c23)c1	EMOLS-id_177344469,MCULE-6678469600,ZINC22_585122482	342.212	NWNTWOKKZGPGCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093138
Cc1ccc(S(=O)(=O)N2CCn3ncc(Br)c23)cc1	ZINC22_585122547,EMOLS-id_177344466,MCULE-5047515184	342.212	XVOKOFLEHPTJKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093139
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccccc1Br	MCULE-7857635108,EMOLS-id_316452130	342.212	MQXMEBOIOJCVOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093140
Cn1ncc2c1CN(S(=O)(=O)c1ccc(Br)cc1)C2	MCULE-8861025424,EMOLS-id_177305699,ZINC22_585114909	342.212	FFKKDVIIQBSUEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093141
O=C(c1c(Br)snc1C)NC1CC(n2c1ncn2)C	EMOLS-id_319692665	342.215	ASCUNQUYFQXGAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093142
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cscc1Br	EMOLS-id_319315059	342.215	VQWXCWDAACGAPT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093143
CC(C1=NN2CCCC2=C1)N[C@@H]3CCC(=O)N([C@H]3C4=NC=CN4C)C	PC-id_154761804,MCULE-4557382058,EMOLS-id_317293024	342.217	NITZPPPALYERCS-MRXJRLSOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093144
CCN1[C@@H]([C@H](CCC1=O)CNC2CCN3C2=NC=C3)C4=NC=CN4C	PC-id_154761765,MCULE-5756919782,EMOLS-id_317291755	342.217	MPYDALMDSUNPAY-XIFZVWCKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093145
c12CN(Cc1nn(CC1CC1)c2Br)C(=O)OC(C)(C)C	MCULE-3404724750,EMOLS-id_324340077	342.231	PEAVSVXGZMGELF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-093146
c12CN(Cc1nn(CC1CCCC1)c2Br)C(=O)OCC	EMOLS-id_324338029,MCULE-4954855571	342.231	BHNIQZJGOXACJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093147
O=C(c1nn2c(c1Br)CCC2)NC(C(O)(C)C)C1CC1	EMOLS-id_320211200,MCULE-2008131296	342.231	SJEXSHFTJHDTFT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-093148
CCC1OCCCN(C1)C(=O)c1c(Br)nc2n1CCC2	PC-id_122151752	342.232	SZOYLMULNWCGCY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-093149
CC(CC1(O)CCC1)NC(=O)c1nn2c(c1Br)CCC2	MCULE-2548931646,EMOLS-id_319907435	342.232	IOQGIDJNRLVJEN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-093150
OC1CCC(CC1)(C)NC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319607715	342.232	UJOMZTRBVXXDHP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093151
Clc1sc2CCC(Nc3cc(ccc3Cl)C(=O)OC)c2c1	PC-id_81234525	342.24	BYFNTGFTFPQSGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093152
Clc1sc2CCC(Nc3c(ccc(Cl)c3)C(=O)OC)c2c1	PC-id_81234774	342.24	KVACFECWHJJMTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093153
Clc1sc2CCC(Nc3cc(c(Cl)cc3)C(=O)OC)c2c1	PC-id_81234213	342.24	GSGZALJKAPVHLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093154
Clc1sc2CCC(Nc3c(cc(Cl)cc3)C(=O)OC)c2c1	PC-id_81234356	342.24	JARAUURLZSVKNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093155
c1(NC(=O)Cc2ccc(c(Cl)c2)Cl)n(C)nc2CSCc12	EMOLS-id_334565298,MCULE-1901772816	342.244	XLKYDHLTZGLMET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093156
c1(NC(=O)Cc2cc(Cl)ccc2Cl)n(C)nc2CSCc12	MCULE-9209562229,EMOLS-id_334562995	342.244	HUJFXJCOJJAYNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093157
O=C(CSCc1ccc(Cl)c(Cl)c1)N1Cc2c[nH]nc2C1	ZINC22_1875267888	342.244	UNZCSDNFIDWJTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093158
n12c(=O)c(=Cc3ccc(cc3)N(=O)=O)sc1nc(C(F)(F)F)n2	MCULE-4098959002	342.253	JUDWHIKJGKVIBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093159
n12c(=O)c(=Cc3ccccc3N(=O)=O)sc1nc(C(F)(F)F)n2	MCULE-9051508945	342.253	ADBFKYYAKSNBGA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093160
n12c(=O)c(=Cc3cccc(c3)N(=O)=O)sc1nc(C(F)(F)F)n2	MCULE-9951145553	342.253	BHQYCCUFKKJNSU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093161
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324909069	342.253	ADBFKYYAKSNBGA-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-093162
[O-][N+](=O)c1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324907013	342.253	JUDWHIKJGKVIBZ-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-093163
[O-][N+](=O)c1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324908042	342.253	BHQYCCUFKKJNSU-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-093164
c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-1193934758,ZINC22_3618945,EMOLS-id_6782478,SCHEMBL14580977,PC-id_4239720	342.26	KWSQFOYQEUNZEF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093165
COC(=O)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccncc1	PC-id_135441702	342.266	GKWJYMHCNFPXSZ-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-093166
COC(=O)C(=O)C(C1=Nc2n(C1=O)c(nn2)N)C(=O)c1ccncc1	SPECS-id_AT-225/NB54725,PC-id_343471	342.266	ARCVGYLNSNENPV-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-093167
COC(=O)C(=O)[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccncc1	PC-id_137083439	342.266	GKWJYMHCNFPXSZ-ZETCQYMHSA-N	00000011100000101001000010000000000000000000000000000000	25-01-093168
COC(=O)C(=O)[C@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccncc1	PC-id_137083440	342.266	GKWJYMHCNFPXSZ-SSDOTTSWSA-N	00000011100000101001000010000000000000000000000000000000	25-01-093169
COC(=O)C(=O)[C@@H](C1=Nc2n(C1=O)c(nn2)N)C(=O)c1ccncc1	CoCoCo_5636987,NSC382925	342.266	ARCVGYLNSNENPV-ZETCQYMHSA-N	00000011100000101001000010000000000000000000000000000000	25-01-093170
COC(=O)C(=O)[C@H](C1=Nc2n(C1=O)c(nn2)N)C(=O)c1ccncc1	LI_194301,CoCoCo_5636988	342.266	ARCVGYLNSNENPV-SSDOTTSWSA-N	00000011100000101001000010000000000000000000000000000000	25-01-093171
COC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19583875	342.273	YCUXJYPRKNCTNW-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-093172
Nc1ccc(C(=O)N2Cc3n[nH]cc3[C@H]2CO)cc1OC(F)(F)F	ZINC22_1875275517	342.273	HPBQZEIPHYXSBB-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093173
Nc1ccc(C(=O)N2Cc3n[nH]cc3[C@@H]2CO)cc1OC(F)(F)F	ZINC22_1875275518	342.273	HPBQZEIPHYXSBB-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-093174
OCC1N(Cc2c1cn[nH]2)C(=O)c1ccc(c(c1)OC(F)(F)F)N	PC-id_146142421	342.273	HPBQZEIPHYXSBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093175
Brc1ccc(s1)CNC(=O)c1sc2c(c1)CCC2	PC-id_33171494,EMOLS-id_314256942	342.274	OBWSKMXIHIWUBT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093176
Brc1ccc(s1)C(=O)NCc1sc2c(c1)CCC2	EMOLS-id_314101190,PC-id_61208795	342.274	AMKRNTSICUOANQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093177
Brc1cc(sc1)CNC(=O)c1sc2CCCc2c1	EMOLS-id_314614897,PC-id_47249969	342.274	VXAGMEUDJUZRRS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093178
Brc1c(scc1)CNC(=O)c1sc2CCCc2c1	PC-id_78986063,EMOLS-id_315083991	342.274	OFVLDANIKFXRKM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093179
Brc1c(scc1)C(=O)NCc1sc2CCCc2c1	PC-id_61948420,EMOLS-id_314291485	342.274	ULMAJQKKVQTPDP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093180
Brc1scc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_61209148,EMOLS-id_314100934	342.274	HFIJXQNJEVVQAW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093181
O=C(NCc1nnc2n1CCC2)Nc1cc(C(F)(F)F)c[nH]c1=O	ZINC22_50038652,PC-id_72048003,MCULE-2298610631,EMOLS-id_42956822	342.277	UGWYNOMFJZPRBB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093182
O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc2n(n1)CCO2	ZINC22_289989401,EMOLS-id_316792295,MCULE-7212306604	342.277	HHRLMUNLJYGBGA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-093183
Clc1cc(C(C(O)c2sc3c(CCC3)c2)CN)ccc1Cl	PC-id_65189961	342.283	ONKZCIVSYPOROE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093184
Clc1c(C(C(O)c2sc3c(CCC3)c2)CN)ccc(Cl)c1	PC-id_65185504	342.283	MJYNWSJDLINMDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093185
Clc1c(C(C(O)c2sc3c(CCC3)c2)CN)c(Cl)ccc1	PC-id_65184774	342.283	CPAQYLKLEDNSRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093186
Clc1c(C(N)c2sc3c(CCC3)c2)cc(Cl)c(OCC)c1	PC-id_81832596	342.283	BINWTKWUWWIGMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093187
Clc1c(C(NC)c2sc3c(CCC3)c2)cc(Cl)c(OC)c1	PC-id_81834108	342.283	YIDHWHUPIYZMRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093188
Clc1c(C(O)CNCc2sc3c(CCC3)c2)cc(Cl)cc1	PC-id_61207420	342.283	FQWJLGWURPQRIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093189
Clc1sc2CCC(Nc3cc(Cl)c(OC(C)C)cc3)c2c1	PC-id_81235195	342.283	OCLFXMJOWDQZPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093190
Clc1sc2CCC(Nc3cc(Cl)c(OCCC)cc3)c2c1	PC-id_81247144	342.283	OBUMOSXHMUBOTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093191
Clc1sc2CCC(Nc3c(OCCC)ccc(Cl)c3)c2c1	PC-id_81247067	342.283	JDXYMGCMUQWKEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093192
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2C(F)(F)F)F)n1	EMOLS-id_330983677,MCULE-7278982850	342.288	BBWBTMYRHIRTCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093193
c1(C(=O)O)c2C(C)CCc2n(Cc2c(cccc2C(F)(F)F)F)n1	MCULE-4254314014,EMOLS-id_330983421	342.288	OELGRDDBFVKWNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093194
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2F)C(F)(F)F)n1	MCULE-7657094528,EMOLS-id_330985212	342.288	ITNFMWJKNSVAIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093195
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(C(F)(F)F)c2F)n1	EMOLS-id_330985469,MCULE-4227646096	342.288	SPALXJNIVBBHPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093196
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(C(F)(F)F)c2)F)n1	MCULE-6105041980,EMOLS-id_330981630	342.288	OSKFHBTYBHAZJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093197
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(F)c2)C(F)(F)F)n1	EMOLS-id_330985468,MCULE-7418687905	342.288	FJKNNSVKQDIOGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093198
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)ccc2C(F)(F)F)n1	EMOLS-id_330983933,MCULE-5230506134	342.288	KBXQJGQUURRYRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093199
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)cc(c2)C(F)(F)F)n1	MCULE-7655997067,EMOLS-id_330981886	342.288	QTASHODCUAGVJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093200
c1(C(=O)O)c2C(C)CCc2n(Cc2c(F)ccc(c2)C(F)(F)F)n1	EMOLS-id_330982142,MCULE-6351188447	342.288	PESBAMVVMVAUIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093201
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1C(F)(F)F)F	MCULE-6840612912,EMOLS-id_330966713	342.288	SPAYXHXESKYDQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093202
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1F)C(F)(F)F	MCULE-2749151727,EMOLS-id_330968248	342.288	RQHLAZRKOUDTFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093203
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(C(F)(F)F)c1)F	EMOLS-id_330968761,MCULE-1939086494	342.288	OIWMTFJELGGUFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093204
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(C(F)(F)F)c1F	MCULE-3881846712,EMOLS-id_330968505	342.288	SHHMEXTXKXWTMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093205
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(F)c1)C(F)(F)F	MCULE-3115638873,EMOLS-id_330968504	342.288	HLUOWDXHXQLTHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093206
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)cc(c1)C(F)(F)F	MCULE-7269689145,EMOLS-id_330969017	342.288	QNZAITHZQGHQMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093207
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)ccc1C(F)(F)F	MCULE-9154255352,EMOLS-id_330966969	342.288	SRFQIAFVPUCNIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093208
c1(C(=O)O)c2C(C)CCc2nn1Cc1c(F)ccc(c1)C(F)(F)F	EMOLS-id_330965178,MCULE-8676335004	342.288	PMVKYRUELMPZEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093209
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(C(=O)O)c12	EMOLS-id_330966457,MCULE-9813869456	342.288	CUFCPPMRRPJNJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093210
C[C@@H](NC(=O)c1cc2n(n1)C[C@H](F)C2)c1ccc(C(F)(F)F)nc1	ZINC22_1875295756	342.291	PQADKBOWDSBICQ-PSASIEDQSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093211
C[C@@H](NC(=O)c1cc2n(n1)C[C@@H](F)C2)c1ccc(C(F)(F)F)nc1	ZINC22_1875295757	342.291	PQADKBOWDSBICQ-SCZZXKLOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093212
BrC1CCCC(C1)CNC(=O)c1sc2c(c1)CCC2	PC-id_106132915	342.294	TYNFQAUXVNOITE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093213
BrC1CCC(CC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_114148075	342.294	YNEVVLZCGKEDDH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093214
BrC1CCCCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_114312207	342.294	HVWDGYNMHAYRGC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093215
BrC1CCCCC1N(C(=O)c1sc2c(c1)CCC2)C	PC-id_102638455	342.294	NIBFHAICZRTROQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093216
BrC1CCCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_104284067	342.294	MEBKCEUPUKRXGI-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-093217
BrCC1CCCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_113276205	342.294	ACGVVIPXEGPOSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093218
BrCC1(CCCC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_113294861	342.294	XMGPAUZXWROCGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093219
BrCC1CCCCC1NC(=O)c1sc2c(c1)CCC2	PC-id_114179653	342.294	AJXNXTLJBXBPED-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093220
BrCC1(CCCCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_114314060	342.294	HZZVHCYYYSOVGG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093221
BrCC1CCCCCN1C(=O)c1sc2c(c1)CCC2	PC-id_116639357	342.294	JZTKCABTCGSZEK-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-093222
BrCCC1CCCN(C1)C(=O)c1sc2c(CCC2)c1	PC-id_80669774	342.294	NDTBGERALUFWMW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093223
BrCCC1N(CCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_80666189	342.294	OAIHSGZZLFXKPI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093224
BrCCCC1N(CCC1)C(=O)c1sc2c(CCC2)c1	PC-id_80676001	342.294	PFKBUUZMGJOXNB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093225
BrCCCN(C(=O)c1sc2c(c1)CCC2)C1CCC1	PC-id_102872463	342.294	LJYZDUKIQFQCHR-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-093226
BrCCN(C1CCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_80659110	342.294	DDGTWRDHWPIFNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093227
CC(C1CCN(CC1)C(=O)c1sc2c(c1)CCC2)Br	PC-id_113883428	342.294	OLHFUUOWHRIINL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093228
O=C(N1CCC(C(C1)(C)C)Br)c1sc2c(c1)CCC2	PC-id_112747398	342.294	YPXAETLXUSBIRS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093229
CC1(COc2ccc(cc2)n2ncnc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_23081238,SCHEMBL5547402	342.309	IEYUKFILJJDXPY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093230
C[C@@]1(COc2ccc(cc2)n2ncnc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5547398,PC-id_69482825	342.309	IEYUKFILJJDXPY-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093231
Cc1cc(CN(C)C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)no1	ZINC22_1615589076,EMOLS-id_317032722,MCULE-9756716801	342.316	JKIMCSISYWNRNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093232
COc1ccccc1C1CNCCN1C(=O)c1sc2c(c1)CCC2	PC-id_120734746	342.455	XJYLAQZQNSKXMV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093720
O=C(c1c(onc1C(F)(F)F)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319167327	342.316	SGBAKKYELUXYLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093233
Brc1c(sc(c1)C)C(NC)c1sc2c(CCC2)c1	PC-id_65279342	342.318	FBDLFPBPTQJDHB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093234
Brc1csc(c1)C(NCc1sc2c(c1)CCC2)C	PC-id_113925855	342.318	ITUDBRUZJUSJBG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093235
Brc1c(scc1)C(NCc1sc2c(CCC2)c1)C	PC-id_61207410	342.318	UFVVWJWBLLKCAE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093236
Brc1c(scc1)C(NCC)c1sc2c(CCC2)c1	PC-id_80535140	342.318	DNDNRJCSVCLTRK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093237
Brc1sc(c(C(NC)c2sc3c(CCC3)c2)c1)C	PC-id_65633389	342.318	CQWUZRRXENWAIH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093238
Brc1sc(C(NC)c2sc3c(CCC3)c2)cc1C	PC-id_79990901	342.318	AKKZRJLVRGVTTR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093239
Brc1sc(C(NCc2sc3c(CCC3)c2)C)cc1	PC-id_61206860	342.318	RMQWYHRTOCVNJZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093240
Brc1sc(C(NCC)c2sc3c(CCC3)c2)cc1	PC-id_61103018	342.318	BHJSQADNXHKMPT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093241
Cc1sc(cc1Br)CNCc1sc2c(c1)CCC2	PC-id_102834854	342.318	YYGCPJLCLZNGBQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093242
CCNC(c1cscc1Br)c1sc2c(c1)CCC2	PC-id_113670841	342.318	HOULWICDFBFWHS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093243
CNC(c1sc2c(c1)CCC2)Cc1ccc(s1)Br	PC-id_115840808	342.318	WAZPTFBVJMTHCC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093244
CNC(c1sc2c(c1)CCC2)Cc1scc(c1)Br	PC-id_115847539	342.318	FJQJGIAKQNCDDL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093245
CNC(c1sc2c(c1)CCC2)Cc1sccc1Br	PC-id_115848748	342.318	IVDPHAZTGYRJOU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093246
CNC(c1sc(c(c1)Br)C)c1sc2c(c1)CCC2	PC-id_102827251	342.318	DGAQVJUEOVXCOS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093247
CC(C)n1cnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	MCULE-8979985023,EMOLS-id_316300200,ZINC22_1615546891	342.32	FJFZBHDYUSHLSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093248
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1CC(C2)(C)O	SCHEMBL19729841	342.32	WNHWYTITMJICBA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-093249
O=C(NCc1nnc2n1CCC2)c1nn(c2ccc(F)cc2)cc1O	ZINC22_84383008,EMOLS-id_48252821,PC-id_75425080,MCULE-1600560126	342.328	AOAZFGLFCQCPHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093250
O=C(NCc1nnc2n1CCC2)Nc1cc(c2ccc(F)cc2)no1	PC-id_53545885,EMOLS-id_35771691,ZINC22_65553996,MCULE-7281203215	342.328	LDBSWCQXNGUVES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093251
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1CO	EMOLS-id_330990266,MCULE-1082383331	342.331	ZFVOGFOZBDDVTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093252
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1CO	MCULE-1231671162,EMOLS-id_330992572	342.331	XHSPSJKAEOSWDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093253
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1CO	MCULE-1697458394,EMOLS-id_330992828	342.331	SMQYZVWBIHZNAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093254
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1CO	EMOLS-id_330990010,MCULE-9091646298	342.331	CJCDHNZBWKUUJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093255
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1CO	EMOLS-id_330989758,MCULE-3383819688	342.331	BYXZIYQIDMEQHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093256
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1CO	MCULE-6579181603,EMOLS-id_330992316	342.331	ROKZNZHMQZQMAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093257
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1CO	EMOLS-id_330993084,MCULE-9285397492	342.331	GYGGCAXZOASXPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093258
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1CO	MCULE-6244275631,EMOLS-id_330990014	342.331	CNMCCKSZVCBFQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093259
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1CO	MCULE-3104992790,EMOLS-id_330993597	342.331	KKRNBARCUZOKFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093260
C1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(c2)C(=O)NO	SCHEMBL1175397,PC-id_87208839	342.336	WBRVXTIQEPJREK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093261
NC(=O)c1c(Nc2ccc(cc2)OC(F)(F)F)sc2c1CCC2	PC-id_143029401	342.336	TVUKJLLDUVKMBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093262
O=C(NCc1nnc2n1CCC2)c1ccc(SC(F)(F)F)cc1	PC-id_17521808,CoCoCo_4491090,ZINC22_12942150,EMOLS-id_16739000,MCULE-9577735766	342.339	OHTNYOUNHCQJSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093263
COC(=O)c1c(NC(=O)N2CCC(C(C2)C)(F)F)nc2n1CCC2	EMOLS-id_319389888	342.341	KLODKGFBCUBUQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093264
COC(=O)c1c(NC(=O)N2CCC(CC2)C(F)F)nc2n1CCC2	EMOLS-id_319521630	342.341	SEDKIZLRNHQPLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093265
COC(=O)c1c(NC(=O)N2CCCC(CC2)(F)F)nc2n1CCC2	EMOLS-id_319290975	342.341	ZDTPCLCJDSOXKR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-093266
COC(=O)c1c(NC(=O)NCC2C(C2(C)C)(F)F)nc2n1CCC2	EMOLS-id_319085232	342.341	MMEYMNGKJXUBHG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-093267
CCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_54194477,SCHEMBL7676952	342.346	PKVJEDXSLJXCSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093268
O=C(c1n2c(C(CC2)C(=O)O)c(c1C)C(=O)O)c1n2CCCc2cc1	SCHEMBL10996299,PC-id_20270357	342.346	ARKJNUOTDATOCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093269
O=C(Nc1sc2c(c1S(=O)(=O)N)OCO2)Oc1ccccc1	PC-id_69934475,SCHEMBL6909704	342.348	RLRHLNNJCKOPHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093270
C[C@H](NC(=O)c1ccc(NC(=O)c2cn3c(n2)CCC3)cc1)C(=O)O	ZINC22_567970211	342.349	KNTKEOVRVPATBV-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-093271
C[C@@H](NC(=O)c1ccc(NC(=O)c2cn3c(n2)CCC3)cc1)C(=O)O	ZINC22_567970212	342.349	KNTKEOVRVPATBV-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093272
O=C(NN=Cc1cc(OC)c(OC(=O)C)cc1)c1n[nH]c2CCCc12	PC-id_2046733	342.349	VTYNMLOKJNCXAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093273
OC(=O)C(NC(=O)c1ccc(cc1)NC(=O)c1cn2c(n1)CCC2)C	EMOLS-id_316922798,MCULE-9137914435	342.349	KNTKEOVRVPATBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093274
Brc1cc(NC2CCc3sc(Cl)cc23)ccc1C	PC-id_81252193	342.682	UHSJMDYOVTXJIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093848
s1c2CCCc2c(c1N=Cc1cc([N+](=O)[O-])cc(OC)c1[O-])C#N	PC-id_7114245	342.349	FZLFHDYIPUJKSR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-093275
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1cccnn1	MCULE-5681789269,EMOLS-id_207863328	342.353	NYOMJWWQSURBAZ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-093276
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1ccncn1	EMOLS-id_207863349,MCULE-2115036541	342.353	SMSTYNIKXGKVQF-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-093277
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1ncccn1	MCULE-3428477431,EMOLS-id_207863352	342.353	VPALLDDDIRZJJM-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-093278
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)NC(=O)C)CC	MCULE-9472477532,PC-id_135649921,EMOLS-id_27452564,STOCK6S-81252	342.353	ZPMMGVKFEVTZPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093279
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(NC(=O)C)cc1)C(=O)N2	PC-id_135878631,ZINC22_31815019	342.353	ZPMMGVKFEVTZPE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093280
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(NC(=O)C)cc1)C(=O)N2	ZINC22_31815014,PC-id_135878630	342.353	ZPMMGVKFEVTZPE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093281
Cn1nnc(c1)C1(CC1)NC(=O)C(=O)C1Cc2n(C1)c(cc2)C(=O)N	PC-id_141757314	342.353	LDCVXWBRROVYOC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-093282
CN(C(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_955144887	342.353	XWEFHKJPUUOCJK-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-093283
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1ccc(cc1)NC(=O)C	SCHEMBL12307473,PC-id_58441222	342.353	SCOBYQKMXMBXGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093284
n12CCCc1nnc2CNC(=O)Nc1cccc(c1)N1CCOC1=O	MCULE-1727853930,PC-id_72892046,EMOLS-id_49161444,ZINC22_96150625	342.353	LYNVHVDCCZFXLR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093285
n1c(CNC(=O)N(Cc2cocn2)Cc2cocn2)c2c(CCC2)[nH]1	EMOLS-id_177496557,ZINC22_426690290,PC-id_121511842,MCULE-4976667161	342.353	LURYVEHAMJHVNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093286
CCOc1nn2c(c1/C=c
/c(OCC)nn3c1nc(n3)C)[nH]c(n2)C	SCHEMBL15295072	342.356	MOCXNIJRQVSTND-YRNVUSSQSA-N	00000000100000000001000110000000000000000000000000000000	25-01-093287
CCOc1nn2c(nc(n2)C)c1=Cc1c2nc([nH]n2nc1OCC)C	PC-id_89832433	342.356	MOCXNIJRQVSTND-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-093288
c12CN(Cc1nn(CC1CCC1)c2C(=O)NC1CC1)CC(F)(F)F	MCULE-1636633141,EMOLS-id_324356708	342.359	CJJVCXZKSWDJRS-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-093289
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NCC12CC(C1)CN2C	EMOLS-id_319211940	342.359	HZCIHXKLFFDPTO-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-093290
Cc1cc(OC(F)F)c(C(=O)N(C)Cc2nnc3n2CCC3)s1	EMOLS-id_49019283,PC-id_72014136,MCULE-2723153652,ZINC22_79310094	342.364	RHLRLIHQZRWKMB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093291
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1noc(c1)C(F)F	EMOLS-id_316327316,MCULE-9922926145	342.364	IQZDHVTYFQTTSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093292
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccc(c(F)c1)C	MCULE-8918024272,EMOLS-id_168604181	342.367	GIXXGLWQSLOGEA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-093293
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)Cc1cccc(F)c1	MCULE-3865839855,EMOLS-id_168604169	342.367	IEBJHZLESYLPAK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-093294
Fc1cc(ccc1CN(C(=O)c1cnn2c1CCC2)C1CC1)C(=O)N	EMOLS-id_318201136	342.367	LWXAJZHAYFAZDJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-093295
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98018773	342.367	GSLZYEMYPZEIKU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093296
Fc1ccc(Cn2ncc3CN(Cc23)C(=O)CC2NC(=O)CC2)cc1	PC-id_56742232	342.367	JNZDNLNGPLRTKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093297
Fc1ccc(C(=O)N2C(c3[nH]nc(NC(=O)C4CC4)c3C2)(C)C)cc1	PC-id_68441764,SCHEMBL2921913	342.367	PMKUWBBADZBMDB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-093298
Fc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536823	342.367	DXGLNMJOVBHMGF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093299
O=C1CC[C@H](N1)CC(=O)N1Cc2c(C1)n(nc2)Cc1ccc(cc1)F	PC-id_95198335	342.367	JNZDNLNGPLRTKW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093300
O=C1CC[C@@H](N1)CC(=O)N1Cc2c(C1)n(nc2)Cc1ccc(cc1)F	PC-id_95198336	342.367	JNZDNLNGPLRTKW-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093301
O=C(C1CC(=O)N(C1)c1ccc(cc1)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319508140	342.367	RQRFGIBVPNFJAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093302
COC(=O)c1c(NC(=O)NCC(C(=O)O)(O)C)sc2c1CCC2	PC-id_122087699	342.368	IGHHIAJDCMZGBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093303
N#CCC(N1C(=O)c2c(C1=O)csc2)c1ccc(c(c1)OC)OC	SCHEMBL2995614,PC-id_68470367	342.369	FIKBDJZGBLFOAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093304
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(O)cc1)C#N	PC-id_7776988	342.369	RXAYYMAGKGBWIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093305
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(O)ccc1)C#N	PC-id_7789949	342.369	IGDAYPIZPXGWJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093306
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(O)cccc1)C#N	PC-id_7797814	342.369	WEAODIUINKZXRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093307
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1occc1)C#N	PC-id_7852187	342.369	ZGAYNIDTHPMUJF-VOTSOKGWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-093308
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1occc1)C#N	PC-id_78554399	342.369	ZGAYNIDTHPMUJF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-093309
CC1CC(c2n1ncn2)NCCCc1onc(n1)c1ccc(cc1)F	EMOLS-id_316580847	342.371	ZRBQCVSCZPTYRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093310
CCN(Cc1ccc(C#N)cc1F)C(=O)NCc1nnc2n1CCC2	PC-id_51084102,ZINC22_45388152,MCULE-5282091892,EMOLS-id_32005102	342.371	YWRPFPWDYIFLNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093311
c
(=N/C(=O)Cn2c(=O)ccc(c3ccco3)n2)/sc2c(CCC2)[nH]1	ZINC22_61717828,MCULE-6398378733,EMOLS-id_35783143,EMOLS-id_46560057,STOCK7S-11891,PC-id_52897884	342.372	JJAMMDYRTHERCS-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-093312
Cc1cnc(cn1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	ChEMBL-DNDi_CHEMBL1555282,MCULE-4018949831,BindingDB-id_205003,BindingDB_PC-id_7949997,CoCoCo_2929108,CHEMBL1555282,PC-id_7949997,EMOLS-id_11702067,ZINC22_6348416	342.372	QYYVZPARMZMDFA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-093313
O=C(c1n[nH]c(c1)c1ccco1)NNC(=O)c1sc2c(c1)CCC2	MCULE-1385914566,PC-id_35677740,EMOLS-id_33344798	342.372	KSQKQKHXOZGNGX-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-093314
s1c2NC(=O)C(=CC3C(NNC3)c3c([N+](=O)[O-])cccc3)c2cc1	PC-id_72498565	342.372	KVYGIKLWOIQWFU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093315
S1Cc2c(noc2NC(=O)c2[nH]nc(c2)c2cc(OC)ccc2)C1	PC-id_49720048	342.372	CSYZKCJBCAGUKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093316
Cc1c(C(=O)Nc2nc3c(s2)CCC3)cnn1c1ccc(O)nn1	MCULE-6865310294,ZINC22_615337632,EMOLS-id_316858176	342.376	VQBDXRSZCLJHQU-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093317
OC(c1cccc(c1)C(F)(F)F)CNCc1sc2c(n1)CCC2	PC-id_109948563	342.379	DTLKMYBITGIXMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093318
c1(NC(=O)CCC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-5055223855,PC-id_108807079,EMOLS-id_182636160	342.387	HVTUOSKIWGPBBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093319
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC(=O)C	MCULE-6143727882,EMOLS-id_330975416	342.389	ZKGXWURMUHLIDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093320
CCCCNOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_118604664,SCHEMBL17369571	342.389	YMVWDRPNMTYHDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093321
CC(O)C(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	EMOLS-id_328214901,MCULE-9519584103	342.389	BTEGRFRFAYHTAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093322
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1C=O	EMOLS-id_330986936,MCULE-1650545603	342.389	OFTDXZNGOPNTPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093323
COC(=O)C(CO)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3982143528,EMOLS-id_328216434	342.389	AQMMZYDVWOLUQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093324
NCCCCOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_138700281,SCHEMBL21075958	342.389	HOQTZFBGUDNMNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093325
O=C([C@H]1N(Cc2c1cc[nH]2)C(=O)OC(C)(C)C)OCc1ccccc1	PC-id_102073774	342.389	KXHGQJLCVNLCHY-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093326
O=C(N1Cc2c(C1)cn(c2)C(=O)O)OC(C(C)(C)C)c1ccccc1	PC-id_139996002	342.389	OTAAHLVLTRDQMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093327
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)CCc1ccc(N)cc1)C	PC-id_10759716	342.389	VVIBCDGNGFYZOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093328
s1c2CCCc2c(c1NC(=O)/C=C/c1ccc(OC)cc1)C(=O)[O-]	PC-id_5582126	342.389	UGYVGIJEUITCSZ-JXMROGBWSA-M	00000010100000110000000010000000000000000000000000000000	25-01-093329
s1c2CCCc2c(c1NC(=O)C=Cc1ccc(OC)cc1)C(=O)[O-]	PC-id_78395710	342.389	UGYVGIJEUITCSZ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-093330
c1(C(=O)Nc2sc3c(CCC3)n2)cc(nn1C)c1ccc(cc1)F	EMOLS-id_323254251,MCULE-5596874749	342.391	MAHKVBUILFQSER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093331
c1(C(=O)NCc2scc(c3ccc(cc3)F)n2)c2CCCc2[nH]n1	ZINC22_215556669,PC-id_77086060,EMOLS-id_49879524,MCULE-7302005269	342.391	DCSZAJAAGAJZFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093332
Cc1c(C(=O)Nc2nc3c(s2)CCC3)cnn1c1ccc(F)cc1	ZINC22_30692224,EMOLS-id_44079438,PC-id_37833369,CoCoCo_4758937,MCULE-4817996179	342.391	VJMGEUVNURBQCD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093333
O=C(C1CC1)Nc1scc2c1C(=O)N(C2=O)CCS(=O)(=O)C	PC-id_142497349	342.391	OCWURAAQPMZZBQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-093334
O=C(c1cnn2c1CCC2)NCc1scc(n1)c1ccccc1F	EMOLS-id_318943651	342.391	KGCJBZBWYMTKGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093335
O=C(c1cnn(c1C)c1ccccc1F)Nc1sc2c(n1)CCC2	MCULE-1695911976,EMOLS-id_25659184,PC-id_33041120,CoCoCo_4632802	342.391	YUBFREGINXQATA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093336
O=C(NCc1nc(c2ccccc2F)cs1)c1n[nH]c2c1CCC2	ZINC22_373259040,MCULE-3351680911,EMOLS-id_316108023	342.391	HHOLMVVWVJNGRU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093337
O=C(NCc1nnc2n1CCC2)c1ccc(c2ccccc2F)s1	ZINC22_40510435,CoCoCo_4829098,EMOLS-id_30024843,MCULE-7839620734,PC-id_45813062	342.391	OPGGWEDOPBYAQS-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-093338
O=C(NCc1nnc2n1CCC2)c1ccc(c2ccc(F)cc2)s1	PC-id_45803637,CoCoCo_4560499,ZINC22_40486235,MCULE-6875706257,EMOLS-id_29989970	342.391	HBQFRQZVEKTBEY-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-093339
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cc(oc1C)C	EMOLS-id_207863173,MCULE-7111140523	342.392	AAVNMZHUDSZILP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-093340
c12CN(Cc1nn(CC)c2C(=O)NCC)C(=O)OCc1ccccc1	EMOLS-id_324355939,MCULE-7822259792	342.392	KPRBNHOPKSREBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093341
c12CN(Cc1nn(CCC)c2C(=O)NC)C(=O)OCc1ccccc1	EMOLS-id_324352879,MCULE-8753474800	342.392	OFUXAOBCCCSIKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093342
c12CN(Cc1nn(CC(C)C)c2C=NO)C(=O)OCc1ccccc1	EMOLS-id_324357742,MCULE-3087563195	342.392	SFYCLGAYNHONRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093343
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](c2ccc(C)o2)C1)NC(=O)C	PC-id_70773337,ZINC22_91933212,MCULE-4193329790,EMOLS-id_44740318	342.392	AUADJMWNWYSUAJ-UKRRQHHQSA-N	00000010101000000001100010000000000000000000000000000000	25-01-093344
C1Cc2c(C1)[nH]nc2C(=O)NC1CCOCC1OCc1ccccn1	PC-id_91773189	342.392	FSHQGIRMZSVGHG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093345
C1Cc2c(C1)[nH]nc2C(=O)NC1COCCC1OCc1ccccn1	PC-id_90647416	342.392	CWMIMKVPDZWREN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093346
c1(C(=O)Nc2ccc(c(OC)c2)NC(=O)CCC)c2CCCc2[nH]n1	ZINC22_55182651,PC-id_46988558,MCULE-6857981646,EMOLS-id_31610352	342.392	LNIPATSEDUHVTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093347
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)COCC)Cc12	MCULE-8354739480,EMOLS-id_316319542	342.392	ORIUMLOZZKMZCR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093348
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)COCC)Cc12	MCULE-6268991031	342.392	ORIUMLOZZKMZCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093349
c1(C(=O)N[C@@H]2CCOC[C@@H]2Oc2ccc(nc2)C)c2CCCc2[nH]n1	MCULE-3908745760,EMOLS-id_55705054,ZINC22_223667740	342.392	YSIZXYRMUKUPDJ-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093350
c1(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)c2CCCc2[nH]n1	EMOLS-id_55640086,MCULE-5591016892,ZINC22_219765826	342.392	FSHQGIRMZSVGHG-HZPDHXFCSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093351
c1(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccn2)c2CCCc2[nH]n1	MCULE-6952677195,EMOLS-id_50526073	342.392	CWMIMKVPDZWREN-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093352
Cc1c2n(CCO2)nc1C(=O)N1CCN(CC1)c1ccccc1OC	PC-id_91959961	342.392	DBERNOIEJLXKRC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093353
Cc1cc(c(o1)C)C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110486776	342.392	AWLWUXDSGVFQTL-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093354
Cc1ncc(cc1)OC1COCCC1NC(=O)c1n[nH]c2c1CCC2	PC-id_91795493	342.392	YSIZXYRMUKUPDJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093355
Cc1nccc(n1)N[C@@H]1COCC[C@@H]1NC(=O)c1occ2c1CCC2	EMOLS-id_320329247,MCULE-3851656484	342.392	URPRZLAYZNQTCK-LSDHHAIUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-093356
C=CCc1cc(C(=O)NCc2nnc3n2CCC3)cc(OC)c1OC	PC-id_40111131,EMOLS-id_25000087,ZINC22_32876303,CoCoCo_4491093,MCULE-9825470630	342.392	FODOJACVQOIOJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093357
CC(=CCn1c(=O)c2c([nH]1)N(CC2)Cc1ccc(cc1)C(=O)NO)C	PC-id_89532269,SCHEMBL14903163	342.392	ODIHBAYCFNMVDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093358
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1)CN(C2(C)C)C	PC-id_71191385,SCHEMBL14521440	342.392	RRNCAFUETKTCIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093359
CC(=O)N[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1ccc(C)o1	ZINC22_216960887	342.392	AUADJMWNWYSUAJ-ZFWWWQNUSA-N	00000010101000000001100010000000000000000000000000000000	25-01-093360
CC(=O)N[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1c1nccn1C	MCULE-9862683100,EMOLS-id_320335302,ZINC22_1615546774	342.392	HSWHQQNASIIAGM-HUUCEWRRSA-N	00000010100000000001100010000000000000000000000000000000	25-01-093361
COc1ccc(cc1/C=CC(=O)N(Cc1nnc2n1CCC2)C)OC	CoCoCo_4880092	342.392	QEEWLFBRRCJWII-TWGQIWQCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093362
COc1ccc(cc1C=CC(=O)N(Cc1nnc2n1CCC2)C)OC	EMOLS-id_31936702,MCULE-8416788932,PC-id_72052064	342.392	QEEWLFBRRCJWII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093363
COc1ccc(cc1C=CC(=O)NCCc1nnc2n1CCC2)OC	PC-id_91641513,MCULE-2476773727,EMOLS-id_301145834	342.392	KBLQUUDGANGHDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093364
COc1ccc(cc1)CCNC(=O)Cn1cnc2c1C(=O)C(N2C)C	PC-id_67502093,SCHEMBL2695762	342.392	ANEOATSEYGLRKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093365
COc1ccc(cc1CC(=O)NC(c1nnc2n1CCC2)C)C(=O)C	EMOLS-id_35691648,MCULE-7043712212,PC-id_53505849	342.392	NGCUASUTPKGHTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093366
COc1ccc(cc1)CN1Cc2c(C1)c(n[nH]2)C(=O)N1CCOCC1	PC-id_97411484	342.392	YJBIBFUOWDFDPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093367
COc1ccc(cc1C(=O)CCC(=O)NCc1nnc2n1CCC2)C	MCULE-3672564717,PC-id_53517031	342.392	VVBJVEMOFDEXKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093368
COc1c(cccc1OC)/C=CC(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4880097	342.392	LCAOIEGCCLRWOP-KTKRTIGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093369
COc1c(cccc1OC)C=CC(=O)N(Cc1nnc2n1CCC2)C	MCULE-9217022032,EMOLS-id_31936708,PC-id_72052063	342.392	LCAOIEGCCLRWOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093370
COc1cccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)c1OC	CoCoCo_4880096,ZINC22_40523036,PC-id_45819262	342.392	LCAOIEGCCLRWOP-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093371
COc1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)cc1OC	ZINC22_44894096,PC-id_45802674	342.392	XDOUJESZMYLJLR-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093372
COc1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)c(OC)c1	PC-id_45819269,ZINC22_44934896	342.392	GDMRIWHRHCOALB-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093373
COc1cc(C=CC(=O)N(Cc2nnc3n2CCC3)C)ccc1OC	PC-id_72059519,EMOLS-id_31867866,MCULE-4205199891	342.392	XDOUJESZMYLJLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093374
COc1ccc(C(=O)C)cc1CC(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_35706526,PC-id_53498856,ZINC22_48344887,MCULE-3522734896	342.392	GVALQWDSVYIKEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093375
COc1ccc(C(=O)C)cc1CC(=O)NCCc1nnc2n1CCC2	ZINC22_65621235,EMOLS-id_35688776,MCULE-4314753263,PC-id_53520134	342.392	JKJWPCWOKZHXHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093376
COc1ccc(C(=O)C)cc1CC(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC22_65449404,PC-id_95134461	342.392	NGCUASUTPKGHTR-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-093377
COc1ccc(C(=O)C)cc1CC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_65449406,PC-id_95134462	342.392	NGCUASUTPKGHTR-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093378
COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)c1	ZINC22_40523027,CoCoCo_4880091,PC-id_45819259	342.392	QEEWLFBRRCJWII-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093379
COc1ccc(OC)c(/C=C/C(=O)NCCc2nnc3n2CCC3)c1	ZINC22_78954802	342.392	KBLQUUDGANGHDL-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093380
COc1cc(OC)ccc1C=CC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_31936728,PC-id_72052062,MCULE-4780868257	342.392	GDMRIWHRHCOALB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093381
COc1cncc(c1)C(C1CC(C1)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_91763554	342.392	ISDKRVQHQLXBCB-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-093382
COc1cncc(c1)[C@H](C1CC(C1)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_100019058	342.392	ISDKRVQHQLXBCB-MLHMAEKDSA-N	00001010100000101001000010000000000000000000000000000000	25-01-093383
COc1cncc(c1)[C@@H](C1CC(C1)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_100019061	342.392	ISDKRVQHQLXBCB-GURQAQJRSA-N	00001010100000101001000010000000000000000000000000000000	25-01-093384
COc1cncc(c1)C(NC(=O)c1n[nH]c2CCCc12)[C@H]1C[C@H](O)C1	EMOLS-id_55612749	342.392	ISDKRVQHQLXBCB-QAODFIRDSA-N	00001010100000101001000010000000000000000000000000000000	25-01-093385
COc1cncc(c1)C(NC(=O)c1n[nH]c2CCCc12)[C@@H]1C[C@H](O)C1	EMOLS-id_55639736	342.392	ISDKRVQHQLXBCB-OZRIREQGSA-N	00001010100000101001000010000000000000000000000000000000	25-01-093386
COc1cncc([C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@@H](O)C2)c1	ZINC22_219749232	342.392	ISDKRVQHQLXBCB-IETSOEAISA-N	00001010100000101001000010000000000000000000000000000000	25-01-093387
COc1cncc([C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@@H](O)C2)c1	ZINC22_219749303	342.392	ISDKRVQHQLXBCB-RSAASHCRSA-N	00001010100000101001000010000000000000000000000000000000	25-01-093388
CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_886034011,EMOLS-id_316038276,MCULE-1059242240	342.392	CIHYVZUUKYCBQF-GXTWGEPZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093389
COC(=O)c1cccn1C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	MCULE-8890159189,ZINC22_89407012,PC-id_71934434,EMOLS-id_45645454	342.392	DKSXJTUFDAQZRW-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-093390
COC(=O)c1c(NC(=O)NCc2ccc(cc2C)C)nc2n1CCC2	EMOLS-id_319141960	342.392	IBAJLSCZXKGIPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093391
COC(=O)c1c(NC(=O)N(C(c2ccccc2)C)C)nc2n1CCC2	EMOLS-id_319150225	342.392	IJMSNHWEPIKHQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093392
COC(=O)c1c(NC(=O)NC(c2ccccc2)(C)C)nc2n1CCC2	EMOLS-id_319220554	342.392	OTIPBNGQJAJXFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093393
COC(=O)c1c(NC(=O)NC(c2ccc(cc2)C)C)nc2n1CCC2	EMOLS-id_319272683	342.392	ZJBDUIVHOOECFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093394
COC(=O)c1c(NC(=O)N(Cc2ccccc2C)C)nc2n1CCC2	EMOLS-id_319575866	342.392	PCUCEVOCWGWJML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093395
o1c(C2C(NC(=O)C)CN(C2)C(=O)c2n[nH]c3c2CCC3)ccc1C	PC-id_78087454	342.392	AUADJMWNWYSUAJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-093396
O1C(CCC1)COc1ccc(C(=O)NCc2n3CCCc3nn2)cc1	MCULE-7376565157,EMOLS-id_31870857,PC-id_45803627	342.392	GTKPXDZUQVWGED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093397
O1C(CCC1)COc1cc(C(=O)NCc2n3CCCc3nn2)ccc1	MCULE-7538771100,PC-id_45806084,EMOLS-id_31878284	342.392	HGEZYMXDPDDAQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093398
O1C(CCC1)COc1c(C(=O)NCc2n3CCCc3nn2)cccc1	EMOLS-id_31878674,PC-id_45806288,MCULE-4340068414	342.392	AUYRPPLEHXAYOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093399
O1C(CN2CCC(CC2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081589,SCHEMBL5543181	342.392	SEWRCIPRFBUNCM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093400
O1[C@@](CN2CCC(CC2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481530,SCHEMBL5543170	342.392	SEWRCIPRFBUNCM-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093401
O=C1CCCN1Cc1nn(c2c1CN(C2)C(=O)c1ccco1)C(C)C	PC-id_97405366	342.392	NPUOGSOERBUHHN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-093402
O=C1CCC(N1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109270	342.392	SFGDJFGLWZMJDB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-093403
O=C1NCCCCC1Oc1ccc(cc1)OCc1nnc2n1CCC2	EMOLS-id_324015726,MCULE-6387929943,PC-id_146103349	342.392	KTRMCDWHGVWTJH-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-093404
O=C1NCCCC[C@@H]1Oc1ccc(OCc2nnc3n2CCC3)cc1	ZINC22_1875281004	342.392	KTRMCDWHGVWTJH-HNNXBMFYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-093405
O=C1NCCCC[C@H]1Oc1ccc(OCc2nnc3n2CCC3)cc1	ZINC22_1875281005	342.392	KTRMCDWHGVWTJH-OAHLLOKOSA-N	00000010100000110101000010000000000000000000000000000000	25-01-093406
O=C(C1CCCCN1C(=O)c1ccco1)NCc1cnc2n1CCC2	EMOLS-id_319140935	342.392	FXGVRBSWLOGLBF-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093407
O=C(C1CCCCN1C(=O)c1ccco1)NCc1n[nH]c2c1CCC2	EMOLS-id_319058919	342.392	DYFXPIIZHMIVQP-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093408
O=C(C1NCc2c1c[nH]n2)NCc1ccc(cc1OC1COCC1)C	EMOLS-id_318962455	342.392	BKECHFJCZNKBJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093409
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2NC(=O)c2ccc(cc2)C)C1	PC-id_71476651	342.392	IKCLZNTVZZLOSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093410
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2NC(=O)Cc2ccccc2)C1	PC-id_71476790	342.392	FFBBHPMAGCVUGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093411
O=CN(c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)C	PC-id_141257335	342.392	JPKLCFFORJVPAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093412
O=C(NCc1ccco1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	EMOLS-id_48226887,ZINC22_95393387,MCULE-5795622104,PC-id_75368985	342.392	BZUNTGRUJKCRDS-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093413
O=C(NCc1nnc2n1CCC2)c1ccccc1OC[C@@H]1CCCO1	PC-id_93609165,ZINC22_40490023,CoCoCo_4658171	342.392	AUYRPPLEHXAYOH-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093414
O=C(NCc1nnc2n1CCC2)c1ccccc1OC[C@H]1CCCO1	PC-id_93609166,CoCoCo_4658170,ZINC22_40490024	342.392	AUYRPPLEHXAYOH-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093415
O=C(NCc1nnc2n1CCC2)c1cccc(OC[C@H]2CCCO2)c1	CoCoCo_4651286,ZINC22_40489880,PC-id_93609107	342.392	HGEZYMXDPDDAQK-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093416
O=C(NCc1nnc2n1CCC2)c1cccc(OC[C@@H]2CCCO2)c1	CoCoCo_4651287,ZINC22_40489879,PC-id_93609106	342.392	HGEZYMXDPDDAQK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093417
O=C(NCc1nnc2n1CCC2)c1ccc(OC[C@@H]2CCCO2)cc1	CoCoCo_4560387,ZINC22_40486200,PC-id_93608213	342.392	GTKPXDZUQVWGED-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093418
O=C(NCc1nnc2n1CCC2)c1ccc(OC[C@H]2CCCO2)cc1	PC-id_93608214,ZINC22_40486203,CoCoCo_4560388	342.392	GTKPXDZUQVWGED-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093419
O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1n[nH]c2c1CCC2	ZINC22_1565511611	342.392	FSHQGIRMZSVGHG-HOTGVXAUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093420
C1C=Cc2c1c(c[nH]2)/C=NNC(=O)c1cc(ccc1)Nc1ccccc1	PC-id_136728802	342.394	VUSGFAGLOJDDLQ-UCQKPKSFSA-N	00000011100000110000000010000000000000000000000000000000	25-01-093421
c1(C=NNC(=O)c2cccc(c2)Nc2ccccc2)c[nH]c2C=CCc12	MCULE-1632743804	342.394	VUSGFAGLOJDDLQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-093422
Cc1nn2c(/c/1=Cc1ccccc1)nc(c2C(=O)Nc1ccccc1)C	SCHEMBL13325556,PC-id_58880593	342.394	NMVNOEKYQFAUNL-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-093423
O=C(Nc1ccccc1)c1n2nc(c(=Cc3ccccc3)c2nc1C)C	PC-id_72451077	342.394	NMVNOEKYQFAUNL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093424
O=C(Nc1n[nH]c2c1CN(C2)Cc1ccccc1)C#Cc1ccccc1	SCHEMBL2917407,PC-id_68440299	342.394	DFGFKPGVYXTHMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093425
O=C(Nc1n[nH]c2CCCc12)Cc1cc(c2ccc(cc2)C#N)ccc1	PC-id_9924138	342.394	KLHOSQWYGAJVMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093426
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1ccc(cc1)C#N	PC-id_9924139	342.394	WFJGESUGDVMBGL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093427
O=C(N/N=C/c1c[nH]c2C=CCc12)c1cccc(Nc2ccccc2)c1	PC-id_135715202,TIMTEC511899,EMOLS-id_27340649	342.394	VUSGFAGLOJDDLQ-OEAKJJBVSA-N	00000011100000110000000010000000000000000000000000000000	25-01-093428
c1(C(=O)N2CCC(CC2)c2nccn2CC(=O)N)c2CCCc2[nH]n1	EMOLS-id_49144666,ZINC22_96132406,PC-id_72845880,MCULE-5777241698	342.396	VTTSJLPBRRKOQS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093429
c1(C(=O)N2CCCN(CC2)C(=O)Cn2cccn2)c2CCCc2[nH]n1	MCULE-6714720951,PC-id_134698244,EMOLS-id_316195752,ZINC22_940270956	342.396	UGZUHPBQVCVDKO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-093430
c1(C(=O)N2CCN(CC2)c2nc(C)cc(=O)[nH]2)c2CCCc2n(C)n1	MCULE-5879142236,EMOLS-id_320479498,PC-id_136370496	342.396	XLBREKMEIYQYTP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093431
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)NCCC)Cc12	EMOLS-id_316320060,MCULE-8922223500	342.396	RUBIGVGIOUBZHP-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093432
c1(C(=O)NCC2(CCCN(c3ncccn3)C2)O)c2CCCc2[nH]n1	PC-id_110123630,BDE-33793168,EMOLS-id_48379058,MCULE-6360853313	342.396	VIPYKVWYCDSFRS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093433
c1(C(=O)NCC2CCN(C2)c2cnn(c(=O)c2)C)c2CCCc2[nH]n1	EMOLS-id_43165170,MCULE-5628263131,PC-id_56911889	342.396	DGUNVHRGMXLDOQ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093434
Cc1nccc(n1)N[C@@H]1COCC[C@@H]1NC(=O)c1cnc2n1CCC2	EMOLS-id_319243489	342.396	MUVBBYCEDSPRQS-QWHCGFSZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-093435
Cc1nccc(n1)N[C@@H]1COCC[C@@H]1NC(=O)c1cnn2c1CCC2	EMOLS-id_319614729	342.396	HUKIKHUKXZPXRB-UONOGXRCSA-N	00000010100010100001000010000000000000000000000000000000	25-01-093436
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1cc[nH]n1)C2	ZINC22_1565555247,EMOLS-id_313735894	342.396	CQPFMPDHGKKWOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093437
CCCNC(=O)NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1	MCULE-7428858132	342.396	RUBIGVGIOUBZHP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093438
CCC(=O)Nc1ccc(C)c(NC(=O)NCc2nnc3n2CCC3)c1	ZINC22_48258538,MCULE-4073739343,EMOLS-id_31980076,PC-id_51082221	342.396	PCALDUINKCYKML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093439
CCn1ncc(c1C)C(=O)N1Cc2c(C1)c(nn2C)C(=O)NC1CC1	EMOLS-id_207863104,MCULE-1832897609	342.396	MRUXQENPXCCYAM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-093440
CCn1ncc(c1)C(=O)N1Cc2c(C1)c(nn2C)C(=O)N1CCCC1	MCULE-4404830440,EMOLS-id_207863237	342.396	TXDBKZWLBKQIKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093441
CCOc1ccnc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1	ZINC22_69560127,PC-id_53579371,MCULE-4427356938,EMOLS-id_36344848	342.396	JZCLDVCWUYGODB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093442
Cn1ccnc(N2CCC(NC(=O)c3n[nH]c4c3CCC4)CC2)c1=O	MCULE-9911667591,ZINC22_328629022,EMOLS-id_316035600	342.396	HUCSMIMYGHBJNK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093443
CN1C(=O)CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H]1c1ccnn1C	MCULE-7310683281,EMOLS-id_102150150,ZINC22_333626734	342.396	VCMVJOFXOXQMIM-MLGOLLRUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093444
Cn1ncc(c1)N1CC(CCC1=O)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319281312	342.396	DTYMCAWZELPWQW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093445
Cn1ncc(N2CC[C@H](CNC(=O)c3n[nH]c4c3CCC4)C2)cc1=O	PC-id_95726608,ZINC22_72166268	342.396	DGUNVHRGMXLDOQ-LLVKDONJSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093446
Cn1ncc(N2CC[C@@H](CNC(=O)c3n[nH]c4c3CCC4)C2)cc1=O	ZINC22_72166269,PC-id_95726609	342.396	DGUNVHRGMXLDOQ-NSHDSACASA-N	00000010100000100001100010000000000000000000000000000000	25-01-093447
CN(C)c1nccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_276673299	342.396	NIKPXLWXEPLTOF-AWEZNQCLSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093448
CN(C)c1nccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_276673301	342.396	NIKPXLWXEPLTOF-CQSZACIVSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093449
CN(Cc1nnc2n1CCC2)C(=O)c1cccnc1N1CCOCC1	MCULE-5258940708,ZINC22_48344849,PC-id_53498853,EMOLS-id_35713480	342.396	DTJNLMHKSMSVGK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-093450
CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)c1n[nH]c2c1CCC2	ZINC22_257296537	342.396	RDGDGDFMHUYLRK-KRWDZBQOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093451
CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1n[nH]c2c1CCC2	ZINC22_257296538	342.396	RDGDGDFMHUYLRK-QGZVFWFLSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093452
CN(C(=O)c1n[nH]c2c1CCC2)CC1(O)CCN(C1)c1cnccn1	MCULE-5012787896,PC-id_110123748,BDE-33793800	342.396	RDGDGDFMHUYLRK-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093453
COc1cc(C)nc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1	MCULE-9114663623,ZINC22_69652557,EMOLS-id_36344712,PC-id_53590631	342.396	VUMQTDNXVBJBPG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093454
CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NC(=O)c1cc2c([nH]1)CCC2	ZINC22_2325849566	342.396	TVOVHDOLGJUKDY-UONOGXRCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093455
CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NC(=O)c1ccn2c1CCC2	EMOLS-id_323963072,ZINC22_1875401834,MCULE-9480587652,PC-id_146113483	342.396	UCWFYAHVJIMXID-GXTWGEPZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093456
O1CCN(CC1)c1ncc(C(=O)NCCc2n3CCCc3nn2)cc1	MCULE-2582993591,PC-id_53523841,EMOLS-id_36273853	342.396	JQSADCNTBPGMEI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-093457
O=C1CCCN1Cc1nn(c2c1CN(C2)C(=O)c1cnc[nH]1)C(C)C	PC-id_97413581	342.396	DAWOZKKSHZYYLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093458
O=C(c1n[nH]c2c1CCC2)N1CCOC(C1)c1ccnc(n1)N(C)C	EMOLS-id_112014875,MCULE-2571226499	342.396	NIKPXLWXEPLTOF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093459
O=C(Cn1cc(NC(=O)c2n[nH]c3c2CCC3)cn1)NC1CCCC1	MCULE-8135187514,EMOLS-id_99009601,ZINC22_129536396	342.396	LPUPWOLHIDWECO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093460
O=C(Cn1ncc(c1)C(=O)N1CCn2c1ncc2)NC1CCCCC1	EMOLS-id_279043883	342.396	HOQYFBSTOFXBAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093461
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(nc1)OC1CCCC1	EMOLS-id_319041460	342.396	LCPUMECKAYKXNE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093462
O=C(NCc1nnc2n1CCC2)N1CCN(c2ccccc2O)CC1	MCULE-7912510965,PC-id_45803867,ZINC22_44895331,EMOLS-id_31871625	342.396	UULVDABPJBTAOO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093463
O=C(NCc1nnc2n1CCC2)N1CCN(c2ccc(O)cc2)CC1	PC-id_53502056,EMOLS-id_35690236,ZINC22_65410526,MCULE-2287841613	342.396	ALFIRLZNRNJUNR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093464
O=C(NC[C@@]1(O)CCCN(c2ncccn2)C1)c1n[nH]c2c1CCC2	ZINC22_257317163	342.396	VIPYKVWYCDSFRS-KRWDZBQOSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093465
O=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1n[nH]c2c1CCC2	ZINC22_257317164	342.396	VIPYKVWYCDSFRS-QGZVFWFLSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093466
O=C(NCCc1nnc2n1CCC2)c1cccnc1N1CCOCC1	EMOLS-id_36271787,ZINC22_61423433,MCULE-5306845268,PC-id_53521518	342.396	JVXNZVLMXLAQCE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-093467
O=C(NC1CCCN(C1)c1ncccn1)NCc1n2CCCc2nn1	PC-id_53519960,MCULE-3196777692,EMOLS-id_35718958	342.399	WYJXMOBJVDAXRS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093468
O=C(NCc1nnc2n1CCC2)NC1CCN(c2ncccn2)CC1	MCULE-6230837646,EMOLS-id_35714028,ZINC22_48372920,PC-id_53515674	342.399	HYZQUMZCGZRMGI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093469
O=C(NCc1nnc2n1CCC2)N[C@H]1CCCN(c2ncccn2)C1	PC-id_94049225,ZINC22_45388030	342.399	WYJXMOBJVDAXRS-LBPRGKRZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093470
O=C(NCc1nnc2n1CCC2)N[C@@H]1CCCN(c2ncccn2)C1	ZINC22_45388033,PC-id_94049226	342.399	WYJXMOBJVDAXRS-GFCCVEGCSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093471
COC(=O)C1(C(=O)OC)[C@H](/C=C/c2ccccc2)Cc2c1ccs2	PC-id_138985169	342.409	DUUKYVZMTZJSDU-MYSGNRETSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093472
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)CN1CCCCC1	EMOLS-id_36610120,ZINC22_67934404,MCULE-6527176189,PC-id_56757413	342.411	QWPFBWSMLLCZBS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093473
c1(sc2c(CCC2)c1C(=O)OCC)NC(=O)N(CCO)CCO	ZINC22_6669488,EMOLS-id_4737300,STOCK6S-08428,MCULE-7536056097,PC-id_8034603	342.411	HZRIOAWDWBBDDY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093474
Cc1ccc(CN[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1F	ZINC22_1019082196,PC-id_146147272	342.411	QYQNNUHZHBEBRI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093475
CC1CN(C(C1)c1ccccc1F)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417061	342.411	RUGFJDGBQSROKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093476
CC1CN(C(C1)c1cccc(c1)F)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417067	342.411	FEKGLDSTHCHEDA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093477
CCOC(=O)c1c(NC(=O)CC[C@H](N)C(O)O)sc2CCCc12	EMOLS-id_327918428,MCULE-6774478587	342.411	PWFLFCWFFZHNFM-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-093478
CCOC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C)C	SCHEMBL18520852	342.411	LNMDSWKTMLLTHC-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093479
Fc1ccc(C2(CCCC2)C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_52587715	342.411	HOCKRCQWQJOHIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093480
Fc1cccc(c1)CC1(CCC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318363404	342.411	IRLQEFMGHJRDBM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-093481
Fc1ccc(c(c1)C)C1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101423055	342.411	KIOGQPLXRRGUDR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093482
Fc1ccc(c(c1)C)N1CCCC(C1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99339715	342.411	LRLZKEQPVRXKDE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093483
Fc1ccc(cc1)C(N1CCCC(C1=O)NC1CCn2c1ncc2)C	MCULE-3972070548,EMOLS-id_318237324	342.411	DKFXMTCHCVNGIA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093484
Fc1cccc(c1)C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_100306453	342.411	JMSUDGXVZNCZMK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093485
Fc1ccccc1C(=O)N1CCC(CC1)NCc1cnc2n1CCC2	MCULE-6343594288,EMOLS-id_318218720	342.411	DICLKCXURSETED-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093486
Fc1ccc(CN2CCC(CC2)NC(=O)c2n[nH]c3CCCc23)cc1	MCULE-1227813719,ZINC22_129836559,EMOLS-id_316827985	342.411	RDEXJSHKGOJBRX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093487
Fc1ccc(Cn2ncc3CN(C(=O)C4(CCCNC4)C)Cc23)cc1	PC-id_56751330	342.411	DGTGOSNTOAJKMU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093488
O=C1C(CCCN1c1ccccc1F)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318218924,MCULE-5595464014	342.411	FLZKHCHDGJBKIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093489
O=C(c1cnn2c1CCC2)N1CCCN(Cc2ccc(F)cc2)CC1	ZINC22_448639449,MCULE-9546274444,PC-id_145897131,EMOLS-id_320381278	342.411	QUMQZASIDZNRBB-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-093490
O=C(C1NCc2c1c[nH]n2)NCC1(CCCCC1)c1ccc(cc1)F	EMOLS-id_319969136,MCULE-3450759918	342.411	IPVMUSNXABLLNN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093491
O=C(c1n(C)nc2c1CCC2)N1CCC(CC1)(F)Cc1ccccn1	EMOLS-id_319387910	342.411	UUQZOTYNPHZTFL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093492
O=C(c1n[nH]c2c1CCC2)N1CCCN(Cc2ccccc2F)CC1	PC-id_75369046,EMOLS-id_48227184,MCULE-2010172800,ZINC22_95393579	342.411	YUKXRLOVTHAKEY-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-093493
C1Cc2n(CC(=O)OCC=C)c(=NC(=O)c3ccccc3)sc2C1	MCULE-5675650293	342.412	AFAAJQKXANUWAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093494
c1(NC(=O)c2ccc(cc2)C(=O)C)sc2c(CCC2)c1C(=O)NC	MCULE-3710439295,PC-id_7474991,ZINC22_5055691,CoCoCo_2590257,EMOLS-id_16349107	342.412	UJBDRWBSBRYRGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093495
COc1ccccc1/C=CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_92860294,CoCoCo_1954435	342.412	HTPAIOROBFGVNB-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093517
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	MCULE-6349430108,TIMTEC526877,ZINC22_2750560,CoCoCo_5823061,EMOLS-id_8836662,PC-id_19578257	342.412	WLKXRMZMGDZERT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093496
c1(NC(=O)C=Cc2ccccc2OC)sc2c(CCC2)c1C(=O)N	PC-id_595444,MCULE-6478361173	342.412	HTPAIOROBFGVNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093497
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	PC-id_73549916,MCULE-7597631069	342.412	YLXLEYBNMCJTIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093498
c1(NC(=O)C=Cc2cccc(OC)c2)sc2c(CCC2)c1C(=O)N	MCULE-5057673258	342.412	AGCVFOONAUGRHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093499
c1(NC(=O)CCC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_84418167,EMOLS-id_181348444,MCULE-3137400935	342.412	XFDIHLYQWOZPPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093500
c1(NC(=O)C(C)Oc2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322613344,MCULE-6522225449	342.412	BSBGLJISGFZPFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093501
c1(NC(=O)CCOc2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322818345,MCULE-1765190587	342.412	ASYRZICQAKJNIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093502
c1(NC(=O)CCOc2ccccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_322821928,MCULE-5864335339	342.412	NYJASSOKLAKHES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093503
c1(NC(=O)CCOc2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_322819113,MCULE-3062241324	342.412	IAIPZSFGXKPXLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093504
C=CCOC(=O)Cn1c2c(s/c/1=N/C(=O)c1ccccc1)CCC2	ZINC22_102265566	342.412	AFAAJQKXANUWAM-VHEBQXMUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093505
C=CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2)/sc2c1CCC2	SPECS-id_AT-225/NB57870,PC-id_4460385	342.412	AFAAJQKXANUWAM-HNENSFHCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093506
C=CCS(=O)(=O)C1=CC(CC=C1)(C#N)C(=O)C1CCn2c1ccc2	SCHEMBL11498413,PC-id_70598395	342.412	QPNBWSGJPWFXDO-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-093507
CCCS(=O)(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C#N	PC-id_23333078,SCHEMBL11443495	342.412	FZQZEDYOTVRWGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093508
CCCS(=O)(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C#N	SCHEMBL11438541,PC-id_23333145	342.412	ZSZLIKQNCSPVLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093509
CCCS(=O)(=O)c1cccc(c1)C(=O)C1(C#N)CCn2c1ccc2	PC-id_70586118,SCHEMBL11438543	342.412	OPBXLABPCNKOJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093510
CCOc1ccccc1OCC(=O)Nc1sc2CCCc2c1C#N	MCULE-4007047145,EMOLS-id_322626369	342.412	QOICUYLLPPAKIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093511
CCOc1ccc(OCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	EMOLS-id_327928554,MCULE-1655844573	342.412	YMKANANEBVEGBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093512
CCOC(=O)c1c(NC(=O)/C=C/c2ccccn2)sc2CCCc12	EMOLS-id_328103858	342.412	CTBIRZAYRZAFBL-MDZDMXLPSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093513
CCOC(=O)c1c(NC(=O)/C=C/c2cccnc2)sc2CCCc12	EMOLS-id_328124341	342.412	HEJOQWSVFQQHFQ-CMDGGOBGSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093514
CCOC(=O)c1c(NC(=O)/C=C/c2ccncc2)sc2CCCc12	EMOLS-id_328096202	342.412	MKMMSTMKXFYBNJ-VOTSOKGWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093515
COc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_1954434,EMOLS-id_26767178,SPECS-id_AG-205/14486041,ZINC22_138262,ChemDIV8010-5426,CK3083981,PC-id_728122	342.412	HTPAIOROBFGVNB-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093516
COc1ccc(cc1)NC(=O)c1cc2c(s1)CCN2C(=O)C1CC1	PC-id_97410581	342.412	WDKZYNIXTWEZSZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-093518
COc1cc(C)c(cc1OC)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327981531,MCULE-4724146311	342.412	FSVLPFIBHQPIOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093519
COc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N)c1	EMOLS-id_181348404,PC-id_84417642	342.412	AGCVFOONAUGRHN-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093520
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1ccccn1	MCULE-2223920732	342.412	CTBIRZAYRZAFBL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093521
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1cccnc1	MCULE-5992567428	342.412	HEJOQWSVFQQHFQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093522
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1ccncc1	MCULE-5084832674	342.412	MKMMSTMKXFYBNJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093523
N#CCC(N1Cc2c(C1=O)csc2)c1ccc(c(c1)OCC)OC	PC-id_68466611,SCHEMBL2985063	342.412	RSRROHMCRWKQLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093524
N#CCC(N1Cc2c(C1=O)csc2)c1ccc(c(c1)OC)OCC	SCHEMBL2999640,PC-id_68472027	342.412	ZAYXRRHRKQQIAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093525
O=C(c1cc2c(s1)CCN2C(=O)c1ccccc1)N1CCOCC1	EMOLS-id_44303560,PC-id_97442320,ZINC22_96146793	342.412	VVIKOEXWWKKBMQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093526
O=C(c1onc(c1)C1CC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101010877	342.412	XHSKNKDXSKIUMT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-093527
s1c2CCCc2c(c1N=Cc1cc(OC)c(OC)c(OC)c1)C#N	PC-id_23932946	342.412	CEWOBWCBOKPLNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093528
s1c2CCCc2c(c1NC(=O)c1c(OCCOC)cccc1)C#N	PC-id_17355438	342.412	UQNIDFKQIBPBOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093529
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc(OC)cc1)C(=O)N	PC-id_19168624	342.412	YLXLEYBNMCJTIG-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093530
S(C(C(=O)c1ccc(OCC)cc1)C)c1[nH]c2c(n1)C(=CC2=O)C	PC-id_44722138	342.412	NPRSUWNDOVOVBW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-093531
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H]([C@H](CS(=O)(=O)N(C)C)C1)O	ZINC22_1529177469,MCULE-6712342282,PC-id_134710240,EMOLS-id_316199153	342.414	AIUTYPDJDHLJNW-CABZTGNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093532
c1(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c2CCCc2[nH]n1	EMOLS-id_317329888,MCULE-1828255085,ZINC22_1704344562,PC-id_135097019	342.414	TVJUJKYGNMLJQF-CABZTGNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093533
c1(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c2CCCc2[nH]n1	PC-id_135112523,MCULE-3917947210,ZINC22_1704300653,EMOLS-id_317359959	342.414	TVJUJKYGNMLJQF-JOYOIKCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093534
c1(NC(=O)COCC)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138972,EMOLS-id_24913287,PC-id_30862292,MCULE-3054650772,CoCoCo_5277578	342.414	JKMONHBKEFSSQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093535
Cc1c2n(CCO2)nc1C(=O)N1CCN(CC1)S(=O)(=O)C(C)C	PC-id_91959925	342.414	DEQPBNOBWLZSAQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093536
CCC(C(=O)N1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100228633	342.414	BCNVLPUDTCJOIX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093537
CCCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959926	342.414	FBOAINXEGPSHQS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093538
CN=C(NCc1nnc2n1CCC2)NCC1(CC1)c1cccc(c1)F	PC-id_111638334	342.414	YDCILDSKEYQXSQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-093539
CN=C(NCc1nnc2n1CCC2)NCC1(CC1)c1ccccc1F	PC-id_111791772	342.414	IJDQZMUACUGAIU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-093540
CO[C@H]1C[C@H](C(=O)Nc2c3c(nn2C)CCC3)N(S(=O)(=O)C)C1	EMOLS-id_316093753,ZINC22_365101296,MCULE-4633255490	342.414	SYNSKWYROODGPQ-JOYOIKCWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093541
c1(NC(=O)c2ccc(cc2)N2CCCC2=O)n(C)nc2CSCc12	EMOLS-id_316210421,ZINC22_1529180938,MCULE-3154801907,PC-id_134710636	342.415	NTOBTFAAOANWEI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093542
c1(NC(=O)C2CC(=O)N(c3ccccc3)C2)n(C)nc2CSCc12	STOCK7S-26166,EMOLS-id_36795437,MCULE-6938139821,PC-id_60175341	342.415	YVSXTOLWJHCRHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093543
C1(=O)C(CCN1c1ccccc1)C(=O)NCc1cn2c(SCC2)n1	EMOLS-id_48629826,PC-id_72864620,MCULE-1330854831	342.415	WPIYNDHCUFSCGL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093544
c1(OCC)ncc(cn1)CCC(=O)Nc1sc2CCCc2c1C#N	MCULE-2063165231,EMOLS-id_328207766	342.415	SDQCGIQJKYHMOM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-093545
Cc1ccc(o1)c1nc(c(s1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319017649	342.415	WTBXDLXZEACNQU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-093546
Cc1ccc(o1)c1nc(c(s1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_319783620	342.415	KSJSMKRTLIQHKO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-093547
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2	PC-id_72066208,MCULE-1239139537,EMOLS-id_42936389,ZINC22_72242455	342.415	NTYAPKQXUHUOKT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093548
Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CSC2	ZINC22_72402321,PC-id_95859176	342.415	YVSXTOLWJHCRHD-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093549
Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CSC2	ZINC22_72402322,PC-id_95859177	342.415	YVSXTOLWJHCRHD-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-093550
n12CCCc1nnc2CNC(=O)CCc1ccc(c2cccs2)o1	MCULE-1561581741,CoCoCo_1647296,PC-id_29185489,ZINC22_20869699,EMOLS-id_23838844	342.415	TYPZGPXWWKOEQG-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-093551
O=C1NCCN(C1)c1ccc(cn1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_99201961	342.415	YJGGAPITFZCFPD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-093552
O=C(C1CN(C(=O)C1)Cc1ccccn1)Nc1sc2c(n1)CCC2	EMOLS-id_31933482,PC-id_45818396,MCULE-9423500256	342.415	ZQZBBJDRNGLWEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093553
O=C(Cc1csc(n1)c1ccc(o1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318844304	342.415	UWVKGFCIIRXZBC-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-093554
O=C(Cc1nc(oc1C)c1cccs1)NCc1cnc2n1CCC2	EMOLS-id_319310681	342.415	ASJGOTMCPOTMRS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-093555
O=C(Cc1nc(oc1C)c1cscc1)NCc1cnc2n1CCC2	EMOLS-id_319628910	342.415	PBIFCEAXNDMOKA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-093556
O=C(Cc1nc(oc1C)c1cscc1)NCc1n[nH]c2c1CCC2	MCULE-7501309207,EMOLS-id_320077622	342.415	UPLSJBKNQAKAKO-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-093557
O=C(N1CCc2c1cc(s2)C(=O)NCc1cnc(cn1)C)C1CC1	PC-id_97407212	342.415	XWUSHTFJHZXKKU-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-093558
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(Cc2ccccn2)C1	CoCoCo_4878564,ZINC22_31282938	342.415	ZQZBBJDRNGLWEC-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093559
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(Cc2ccccn2)C1	CoCoCo_4878565,ZINC22_31282941	342.415	ZQZBBJDRNGLWEC-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-093560
O=C(NCc1cn2c(n1)SCC2)[C@H]1CCN(c2ccccc2)C1=O	PC-id_97272987,ZINC22_95505301	342.415	WPIYNDHCUFSCGL-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093561
O=C(NCc1cn2c(n1)SCC2)[C@@H]1CCN(c2ccccc2)C1=O	PC-id_97272988,ZINC22_95505302	342.415	WPIYNDHCUFSCGL-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093562
S1CCn2c1nc(NC(=O)CCCOCc1ccccc1)c2C#N	PC-id_60324226	342.415	GHMMFJHEQFAMSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093563
CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2nnc3n2CCC3)C1	PC-id_97064556,ZINC22_89486615	342.417	MDEVNBPHCFOHDY-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093564
CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2nnc3n2CCC3)C1	ZINC22_89486619,PC-id_97064557	342.417	MDEVNBPHCFOHDY-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-093565
O=C(N1CCCC(C1)NS(=O)(=O)C)NCc1nnc2n1CCC2	MCULE-6591593498,PC-id_71893453,EMOLS-id_45753830	342.417	MDEVNBPHCFOHDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093566
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)CCN1CCCCC1	PC-id_68442202,SCHEMBL2922911	342.417	WTFNIUABLBNRGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093567
c1(ccnn1Cc1cccs1)NC(=O)NCc1c2CCCc2[nH]n1	EMOLS-id_68900172,PC-id_118775073,MCULE-5830793944,ZINC22_299782128	342.419	FSXQCUBORSXHGT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093568
c1(c(C)n(nc1C)C)c1n[nH]c(C(=O)Nc2sc3c(CCC3)n2)c1	MCULE-7130351392,STOCK7S-45160,EMOLS-id_50401090,EMOLS-id_48571710,ZINC22_96118745,PC-id_71827721	342.419	PZQBFDVFHBPTKH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-093569
c1(NC(=O)C(Cc2c[nH]cn2)n2cccc2)n(C)nc2CSCc12	PC-id_134696124,MCULE-6357472082,EMOLS-id_316207504	342.419	QYEZLKFILVYJCH-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-093570
CCc1csc(n1)n1ncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319151033	342.419	CKFSTGMJCLGZJM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-093571
Cn1nc2c(c1NC(=O)[C@H](Cc1cnc[nH]1)n1cccc1)CSC2	ZINC22_1529095267	342.419	QYEZLKFILVYJCH-AWEZNQCLSA-N	00000010110000000001000010000000000000000000000000000000	25-01-093572
Cn1nc2c(c1NC(=O)[C@@H](Cc1cnc[nH]1)n1cccc1)CSC2	ZINC22_1529095593	342.419	QYEZLKFILVYJCH-CQSZACIVSA-N	00000010110000000001000010000000000000000000000000000000	25-01-093573
Cn1ncc(c1)c1nc(c(s1)C(=O)NCc1n[nH]c2c1CCC2)C	EMOLS-id_320068867,MCULE-3834593957	342.419	OTBZLJABJUSHRV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-093574
Cn1ncc(c1)c1sc(c(n1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319739200	342.419	KZAGNLSQFHCJOQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-093575
N#Cc1c(NC(=O)c2nn(c(c2)C)C(C2CC2)C)nc2n1CCS2	EMOLS-id_98880727	342.419	CEABOCFFVJMZRC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-093576
S1CCn2c1nc(NC(=O)c1ccc(N(CC)CC)nc1)c2C#N	PC-id_60324264	342.419	KDAPGEWJJJYYOC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093577
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC(C)C	EMOLS-id_330975672,MCULE-5963824286	342.432	JLEHNNJUZRNWMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093578
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OCCC	MCULE-5802204270,EMOLS-id_330976184	342.432	PHCHHRUZHBZMEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093579
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1c(OC)cc(c(C)c1)C	EMOLS-id_330974908,MCULE-6013101886	342.432	XXJIRCOSSCRTJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093580
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2C)OCC)n1	EMOLS-id_330994683,MCULE-2882795179	342.432	VPSXQVLLWOMFIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093581
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)OC(C)C)n1	MCULE-4637021014,EMOLS-id_330996219	342.432	BHLJLDPIQWRHSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093582
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)OCCC)n1	MCULE-8331449628,EMOLS-id_330995963	342.432	WHJKJAJVUQFPTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093583
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(C)c2C)OC)n1	EMOLS-id_330995451,MCULE-4444734587	342.432	ZJOJAIAHQQJOKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093584
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(C)c2)OCC)n1	EMOLS-id_330996731,MCULE-7137694638	342.432	BBWFGIZHMMZXPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093585
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(C)cc(c(C)c2)OC)n1	MCULE-2063678367,EMOLS-id_330995707	342.432	RUHJZAQEDULOTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093586
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)c(c(C)c2)OC)n1	MCULE-6968137899,EMOLS-id_330996475	342.432	VFBOOPHUIUZEBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093587
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1C)OCC	MCULE-8332451643,EMOLS-id_330979510	342.432	WBFAFILKADKULK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093588
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)OC(C)C	MCULE-5231906686,EMOLS-id_330981046	342.432	XHUNWZLQHXUOEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093589
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)OCCC	MCULE-9955797114,EMOLS-id_330980790	342.432	XKIFVPCIKDVHGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093590
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(C)c1C)OC	MCULE-2419547569,EMOLS-id_330980278	342.432	NPYHSJDGLZMBFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093591
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)OCC	EMOLS-id_330977463,MCULE-1006300268	342.432	XQTQSRIMCWGUNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093592
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1c(C)cc(c(C)c1)OC	MCULE-8552359581,EMOLS-id_330980534	342.432	UDZILGYFPFKWHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093593
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)c(c(C)c1)OC	MCULE-8801813175,EMOLS-id_330981302	342.432	PPRBQEUACBYTEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093594
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1C)OC	EMOLS-id_330978750,MCULE-9941487996	342.432	YKZOHMSCHCEMRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093595
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OCC	EMOLS-id_330980030,MCULE-4298315268	342.432	LUQAQJVJQOQORT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093596
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(C)c1)OC	EMOLS-id_330978494,MCULE-1893021739	342.432	QAQSIWFDPMYYIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093597
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(OCC)c1	MCULE-4949632053,EMOLS-id_330985392	342.432	BVENYPADPYTWNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093598
CCC1(CCn2c1cc(c2C(=O)c1ccc(n1C)C(C)C)C)C(=O)O	SCHEMBL10645397,PC-id_70411464	342.432	YKKVSIZQJXSXHF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-093599
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)C(C)C)C	SCHEMBL10641409,PC-id_70410426	342.432	BEVKUOQJMHFGRM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-093600
s1c2c(CCC2)c(c1NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-]	PC-id_2055895	342.432	GOYXMRWLLJEHAV-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-093601
c1(NC(=O)CS(=O)CC(OC)OC)sc2c(CCC2)c1C#N	MCULE-7862314687,EMOLS-id_320677229	342.434	GCABXYBIGAVZBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093602
c1(NC(=S)NCC(=O)OCC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4021634,PC-id_17381562,TIMTEC596434,CoCoCo_6826578,MCULE-5705668792,ZINC22_17071547	342.434	ZLADDMFRKUCOKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093603
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)c1cccs1)F	MCULE-1635767869,EMOLS-id_36278047,PC-id_53527673	342.434	COSRYCKSIJOMKA-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-093604
CC(c1nnc2n1CCC2)NCc1ccc(s1)c1ccccc1F	MCULE-3678570305,EMOLS-id_35736513,PC-id_53517558	342.434	WYBNXWPSXLPNES-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-093605
C[C@H](NCc1ccc(c2ccccc2F)s1)c1nnc2n1CCC2	PC-id_95155744,ZINC22_65590674	342.434	WYBNXWPSXLPNES-LBPRGKRZSA-N	00000010100100110001100010000000000000000000000000000000	25-01-093606
C[C@@H](NCc1ccc(c2ccccc2F)s1)c1nnc2n1CCC2	ZINC22_65590676,PC-id_95155745	342.434	WYBNXWPSXLPNES-GFCCVEGCSA-N	00000010100100110001100010000000000000000000000000000000	25-01-093607
C[C@@H](NCc1ccc(F)c(c2cccs2)c1)c1nnc2n1CCC2	PC-id_95293656,ZINC22_69516083	342.434	COSRYCKSIJOMKA-GFCCVEGCSA-N	00000010100100110001100010000000000000000000000000000000	25-01-093608
C[C@H](NCc1ccc(F)c(c2cccs2)c1)c1nnc2n1CCC2	ZINC22_69516080,PC-id_95293655	342.434	COSRYCKSIJOMKA-LBPRGKRZSA-N	00000010100100110001100010000000000000000000000000000000	25-01-093609
s1c2c(CCC2)c(c1NC(=O)CSCC(=O)OCC)C(=O)N	PC-id_4647426	342.434	GEHAHVZMYUCMIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093610
c12CN(Cc1nn(C(C)(C)C)c2CNC)C(=O)OCc1ccccc1	MCULE-8167875839,EMOLS-id_324353124	342.435	DYSYQZIAFXCHNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093611
c1(CN(C)C(=O)C2CCCN(Cc3ccco3)C2)[nH]nc2CCCc12	PC-id_50985138,EMOLS-id_32231108,MCULE-4843777158	342.435	NXPCHXSXXIQCDY-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093612
c1(CN(C)C(=O)C(CC)Nc2cccc(OC)c2)[nH]nc2CCCc12	EMOLS-id_32420550,MCULE-3875280037,PC-id_50975854	342.435	RJBFQSGKPRIYMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093613
c1(CN(C)C(=O)NC(C)COc2ccc(cc2)C)c2CCCc2[nH]n1	PC-id_122560873,MCULE-9801552597,EMOLS-id_177402774	342.435	LIPQTLNYKFVRBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093614
c1(C(=O)NCCCN(CC)c2ccccc2)cc2n(C[C@@H](OC)C2)n1	MCULE-9462309642,EMOLS-id_316336478	342.435	ODVMZPDLRIDRQT-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093615
Cc1cc(CN2CCOCC2)cc(c1OCc1nnc2n1CCC2)C	EMOLS-id_320133127,MCULE-9059391486	342.435	UOKNVUYMHYNBOE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093616
Cc1ccc(OC[C@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCC3)cc1	ZINC22_534593309	342.435	LIPQTLNYKFVRBY-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093617
Cc1ccc(OC[C@@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCC3)cc1	ZINC22_534593310	342.435	LIPQTLNYKFVRBY-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093618
Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)cc1	PC-id_95326825,ZINC22_69775930	342.435	NLIMBOLPYXIWET-WMLDXEAASA-N	00000010100000110001000010000000000000000000000000000000	25-01-093619
Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)cc1	PC-id_95326826,ZINC22_69775931	342.435	NLIMBOLPYXIWET-RHSMWYFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093620
Cc1ccc(O[C@H](C)C(=O)N[C@H](c2nnc3n2CCC3)C(C)C)cc1	PC-id_95326828,ZINC22_69775934	342.435	NLIMBOLPYXIWET-PBHICJAKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093621
Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2nnc3n2CCC3)C(C)C)cc1	ZINC22_69775933,PC-id_95326827	342.435	NLIMBOLPYXIWET-YOEHRIQHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093622
CC1CCN(Cc2ccc(C(=O)NCc3n[nH]c4c3CCC4)o2)CC1	PC-id_91842281,ZINC22_244887904,MCULE-4619225274,EMOLS-id_55698931	342.435	YQGPEQIPRDXSMG-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093623
Cc1onc(c1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109888	342.435	HYQYHLAGZYZWSO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093624
CC(C)c1ccc(OCCC(=O)N(C)Cc2nnc3n2CCC3)cc1	MCULE-4509387945,PC-id_51095361,ZINC22_58314405,EMOLS-id_32115635	342.435	QSNAEMBULCUKPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093625
CC(C)c1ccc(OCCC(=O)NCCc2nnc3n2CCC3)cc1	ZINC22_67208763,EMOLS-id_36283836,PC-id_53564560,MCULE-5012648016	342.435	HBINUUQDZINPDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093626
CC(C)CCOc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc1	CoCoCo_4879917,ZINC22_40522684,PC-id_93615667	342.435	LYCHARBXJGYKHP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093627
CC(C)CCOc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc1	ZINC22_40522687,CoCoCo_4879916,PC-id_93615668	342.435	LYCHARBXJGYKHP-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093628
CC(CCOc1ccc(cc1)C(=O)NC(c1nnc2n1CCC2)C)C	MCULE-4996508258,EMOLS-id_31936108,PC-id_45819102	342.435	LYCHARBXJGYKHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093629
CC[C@@H](Nc1cccc(OC)c1)C(=O)N(C)Cc1[nH]nc2c1CCC2	PC-id_95219188,ZINC22_67866867	342.435	RJBFQSGKPRIYMZ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093630
CC[C@H](Nc1cccc(OC)c1)C(=O)N(C)Cc1[nH]nc2c1CCC2	ZINC22_67866864,PC-id_95219187	342.435	RJBFQSGKPRIYMZ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093631
CN(Cc1[nH]nc2c1CCC2)C(=O)[C@@H]1CCCN(Cc2ccco2)C1	ZINC22_55414468,PC-id_52401982	342.435	NXPCHXSXXIQCDY-CQSZACIVSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093632
CN(Cc1[nH]nc2c1CCC2)C(=O)[C@H]1CCCN(Cc2ccco2)C1	ZINC22_55414469,PC-id_52401984	342.435	NXPCHXSXXIQCDY-AWEZNQCLSA-N	00000010101010000001000010000000000000000000000000000000	25-01-093633
CN(C(=O)c1n[nH]c2c1CNC2)CCOc1ccccc1C(C)(C)C	SCHEMBL16127786,PC-id_117614996	342.435	DUWNJYJOGYUTAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093634
COc1ccc(cc1)C1(CCOCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_320232076,MCULE-4551474479	342.435	OQZXEJVBMYWIHL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093635
COc1ccccc1CC(C)(C)C(=O)NCCc1nnc2n1CCC2	PC-id_72042714,ZINC22_75137675,MCULE-1241794457,EMOLS-id_42966214	342.435	MKQGVIDWBZYMSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093636
COc1cc(CNCc2nnc3CCCn23)ccc1OCC=C(C)C	PC-id_46988098,ZINC22_55167373,EMOLS-id_31609696,MCULE-6562387393	342.435	XEYIVFNXOQOIOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093637
Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1ccccc1	BindingDB_PC-id_53825670,PC-id_53825670	342.435	FYXVLQWAEZZMOG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093638
O=C(c1cc(n(c1C)C1CCCOC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318993117	342.435	ORTHGEXYNLLIAB-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-093639
O=C(c1cc(n(c1C)C1CCOCC1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318779552	342.435	RJOLOHVGDRUWJP-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-093640
O=C(c1n(C)nc2c1CCC2)N1CCC[C@@H]1c1occ(n1)C(C)(C)C	EMOLS-id_319796020	342.435	AUUWYYFOHLBKCQ-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-093641
O=C(c1occ2c1CCC2)N1CCC(CC1)Cc1n[nH]c(n1)C(C)C	EMOLS-id_320224875,MCULE-3169649418	342.435	YHNDINPVKUZNHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093642
O=C(C(Oc1ccc(cc1)C)C)NC(c1nnc2n1CCC2)C(C)C	EMOLS-id_36704000,MCULE-5339609987,PC-id_53604650	342.435	NLIMBOLPYXIWET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093643
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)NC1CCCC1	PC-id_92109590	342.435	PXAQGWJQDULEGU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-093644
c1(c(C)nc(c2ccncc2)s1)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_46567191,EMOLS-id_36513181,STOCK7S-21975,ZINC22_71285398,PC-id_56761981,MCULE-2038967420	342.439	YALPGNJNIJMNLI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-093645
c1(CN(C)Cc2cnc(nc2)NCC2CCCO2)c2CCCc2[nH]n1	EMOLS-id_49885199,PC-id_77089327,MCULE-5563919824	342.439	QAGPAMFYFVCIIO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-093646
c1(C(=O)NCc2c3CCCc3[nH]n2)cn(nn1)CCC1CCCCC1	ZINC22_11664453,MCULE-7215705643,CoCoCo_1168812,PC-id_42098125,CoCoCo_1168813,EMOLS-id_20427303	342.439	TWAZPWBLIHNJBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093647
c1(NC(=O)Cc2csc(c3ccccn3)n2)sc2c(CCC2)n1	EMOLS-id_323374989,MCULE-4472110541	342.439	GAJYCOXWTILCEQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-093648
Cc1cccnc1[C@@H](NC(=O)N(C)Cc1nnc2n1CCC2)C(C)C	ZINC22_2325731704	342.439	VNTVVSXKBLXOLH-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093649
Cc1cccnc1[C@H](NC(=O)N(C)Cc1nnc2n1CCC2)C(C)C	ZINC22_2325731705	342.439	VNTVVSXKBLXOLH-MRXNPFEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093650
CCc1cc(N(C)Cc2[nH]nc3c2CCC3)nc(N2CCOCC2)n1	MCULE-4353900859,PC-id_50971115,EMOLS-id_32411630,ZINC22_67758707	342.439	ADEMRHNLCDFAHY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093651
CCCCc1nnn(c1)C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2	CoCoCo_1480806,CoCoCo_1480805	342.439	VVUVLVDRPYXWAZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093652
CCCCN(c1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319529247	342.439	RVDAJJNUTCJRKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093653
CC[C@@H](CN/C(=N/C)/NCc1nnc2n1CCC2)Oc1ccccc1	ZINC22_95963045	342.439	BSQZLQOKDMDECK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093654
CC[C@H](CN/C(=N/C)/NCc1nnc2n1CCC2)Oc1ccccc1	ZINC22_95963046	342.439	BSQZLQOKDMDECK-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093655
CC(C)N(C)c1cccc(NC(=O)NCCc2nnc3n2CCC3)c1	ZINC22_84597195,PC-id_71857251,MCULE-2158343826,EMOLS-id_44582676	342.439	KLDZVSDLPRTAJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093656
C[C@@H](CNC(=O)NCCc1nnc2n1CCC2)N(C)c1ccccc1	PC-id_97222744,ZINC22_95409926	342.439	GRBWDSPFWMWCPN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093657
C[C@H](CNC(=O)NCCc1nnc2n1CCC2)N(C)c1ccccc1	ZINC22_95409927,PC-id_97222745	342.439	GRBWDSPFWMWCPN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093658
CCn1cc(CN2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cn1	MCULE-6138691387,PC-id_53584578,ZINC22_69591538,EMOLS-id_36345380	342.439	JNIBTMDHBCGGQU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-093659
CCn1ccnc1C1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574849	342.439	AJTTZUHFBJEARE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093660
CCn1ccnc1CN1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	EMOLS-id_36684453,ZINC22_69770236,PC-id_53602971,MCULE-1105383354	342.439	MMLYZXLHCCJYSI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-093661
CCN1C(=O)CC[C@@H]([C@H]1c1cnn(c1)C)CNC1CCn2c1ncc2	MCULE-7212900979,EMOLS-id_316158287	342.439	CTYVNSUPHMWGON-OJKDSEEBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093662
CCNC(=NCc1ccc(cc1OC)C)NCc1nnc2n1CCC2	PC-id_109712191	342.439	WCDWNXPBKHCWSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093663
CCNC(=NCc1ccccc1OCC)NCc1nnc2n1CCC2	PC-id_111020621	342.439	OAJDADPMWICNKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093664
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)OC)C	PC-id_111271725	342.439	BWOBPVXGTKXCSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093665
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccccc1OC)C	PC-id_111281519	342.439	PJMPSZRFWDMWSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093666
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)CO	PC-id_109408460	342.439	PMZIPWZXOIMJSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093667
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)(O)C	PC-id_109417184	342.439	ULYKSCZIZPSIMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093668
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1)OC	PC-id_111020217	342.439	YVMFHHUNIUAILD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093669
CCNC(=NCc1nnc2n1CCC2)NCCc1ccccc1OC	PC-id_111020415	342.439	KCTXZOOCPIQADG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093670
CC/N=C(/NCc1nnc2n1CCC2)N(C)Cc1cccc(OC)c1	PC-id_75420994,ZINC22_73736108	342.439	KUESOKNQIQVDFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093671
CCNC(=NCc1nnc2n1CCC2)NCCC(c1ccccc1)O	PC-id_111664868	342.439	DUNUEYOTIMCBSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093672
CCNC(=NCc1nnc2n1CCC2)NCCCOc1ccccc1	PC-id_111020323	342.439	NEAPAXIDXPWCRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093673
CCNC(=NCc1nnc2n1CCC2)NCCOc1ccc(cc1)C	PC-id_111020183	342.439	JPHNRHADHJFFTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093674
CCNC(=NCc1nnc2n1CCC2)N(CCOc1ccccc1)C	PC-id_111273457	342.439	DQARNFXZDTVBBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093675
CCOc1ccc(cc1)CN(C(=NC)NCc1nnc2n1CCC2)C	PC-id_111275193	342.439	AJIDUGCQPXODDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093676
CCOc1ccnc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1	MCULE-2354611075,EMOLS-id_316980438,PC-id_136568391,ZINC22_891973391	342.439	COKZPEIYJHLHRE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-093677
CN1CCC(C(C1)c1cnn(c1)C)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319255771	342.439	KBUDWBAAUNZCPY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093678
CN1CCC[C@H]([C@@H]1c1ccnn1C)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316018057,MCULE-5385979585	342.439	SZFFKQAFBDMDNP-YVEFUNNKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093679
CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1n[nH]c2c1CCC2	PC-id_99937702,ZINC22_215825069	342.439	QAGPAMFYFVCIIO-AWEZNQCLSA-N	00000010100000100001000010000000000000000000000000000000	25-01-093680
CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1n[nH]c2c1CCC2	ZINC22_215825118,PC-id_99937704	342.439	QAGPAMFYFVCIIO-CQSZACIVSA-N	00000010100000100001000010000000000000000000000000000000	25-01-093681
CN(Cc1nnc2n1CCC2)C(=O)c1cc(C2CC2)nn1C(C)(C)C	MCULE-2803359168,PC-id_53498584,ZINC22_48340680,EMOLS-id_35713478	342.439	TYOVPGUWHLLKJO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-093682
CN(C)C[C@@H](NC(=O)N1Cc2c(N)[nH]nc2C1(C)C)c1ccccc1	MCULE-1672178214,EMOLS-id_50284043,PC-id_59474188,MCULE-8605087421,ZINC22_115987201,SCHEMBL1368935	342.439	MXNIUQSGXKEPKN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093683
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(c(c1)OC)C	PC-id_111588691	342.439	FRKAOVXPKOVZJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093684
CN=C(NCc1nnc2n1CCC2)NCCc1cc(C)ccc1OC	PC-id_111020499	342.439	CRMVGXBFQORUAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093685
CN=C(NCc1nnc2n1CCC2)NCC(Oc1cccc(c1)C)C	PC-id_111501853	342.439	ALJCOTQPTDNTSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093686
CN=C(NCc1nnc2n1CCC2)NCC(Oc1ccccc1C)C	PC-id_111502889	342.439	SPUQXWJDJSNSBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093687
C/N=C(NCc1nnc2n1CCC2)/N[C@H](C)c1cc(C)ccc1OC	ZINC22_89611992	342.439	TYDYHXJYDJGRNA-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093688
C/N=C(NCc1nnc2n1CCC2)/N[C@@H](C)c1cc(C)ccc1OC	ZINC22_89611994	342.439	TYDYHXJYDJGRNA-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093689
O(c1c(C(NC(=NC)NCc2n3CCCc3nn2)C)cc(cc1)C)C	PC-id_71931002	342.439	TYDYHXJYDJGRNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093690
O=C(c1cnc2n1CCC2)N1CCC(CC1)Cc1n[nH]c(n1)C(C)C	MCULE-8717143574,EMOLS-id_320077230	342.439	IXHLNQOPCSBNFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093691
O=C(c1cnn2c1CCC2)N1CCC(CC1)Cc1n[nH]c(n1)C(C)C	MCULE-5862819894,EMOLS-id_320035695	342.439	LGTZUYBMKILLMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093692
O=C(c1nc2n(c1)CCC2)N1CCC(CC1)Cc1n[nH]c(n1)C(C)C	EMOLS-id_320025262,MCULE-6016704629	342.439	WQKGZQOKLSMPDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093693
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)Cc1n[nH]c(n1)C(C)C	EMOLS-id_319046677	342.439	HQISLBWSIZKUMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093694
O(C(CNC(=NC)NCc1n2CCCc2nn1)CC)c1ccccc1	PC-id_75423783	342.439	BSQZLQOKDMDECK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093695
O=C(N1C(C)(C)c2c(c([nH]n2)N)C1)NC(CN(C)C)c1ccccc1	PC-id_72295366,MCULE-3995114185,MCULE-9663702856	342.439	MXNIUQSGXKEPKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093696
O=C(NC1CC(n2c1ncc2)C)Nc1nn(c(c1)C)C1CCCCC1	EMOLS-id_101435298	342.439	JOAHKLMZGIVLGU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093697
O=C(NCCc1n2CCCc2nn1)NCC(N(c1ccccc1)C)C	MCULE-5469558648,EMOLS-id_48254469,PC-id_75378323	342.439	GRBWDSPFWMWCPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093698
S(c1oc(C[NH+](Cc2n[nH]c3c2CCC3)C)cc1)c1ncccn1	PC-id_52385551	342.439	KTWFTGKEJONQTE-UHFFFAOYSA-O	00000010101000100001000010000000000000000000000000000000	25-01-093699
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)c1cnn(c1)C	PC-id_111741196	342.442	XHYPOOOHCXIJKF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-093700
CN=C(N1CCC(C(C1)n1cncc1)C)NCc1nnc2n1CCC2	PC-id_109765213	342.442	VQIBXKDSRRSPSO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-093701
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1	PC-id_7238727	342.452	JFYRRVMPGDZXHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093702
c1(c2CCCc2sc1C(=O)NC(C)C)C(=O)Nc1ccccc1C	STOCK3S-05329,MCULE-1221851241,ZINC22_547036,CoCoCo_6383437,EMOLS-id_3741010,PC-id_947722	342.455	NQTHYUWPOSEGAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093703
c1(c2CCCc2sc1NC(=O)CCC)C(=O)Nc1ccccc1C	PC-id_917000,BAS-06104030,EMOLS-id_1476407,STOCK1S-81221,ZINC22_503359,MCULE-8099268964,CoCoCo_345250	342.455	FWLGHMXVEZQNOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093704
c1(c2CCCc2sc1NC(=O)C(C)C)C(=O)Nc1cccc(C)c1	CoCoCo_345299,ZINC22_186229,MCULE-8730904618,STOCK1S-88716,BAS-06104870,EMOLS-id_1476485,PC-id_744734	342.455	PSPNCAZRSHRURF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093705
c1(c2CCCc2sc1NC(=O)CC)C(=O)Nc1ccccc1CC	EMOLS-id_2763231,ZINC22_130384,MCULE-4206859126,CoCoCo_6728363,PC-id_724268	342.455	UFJCYANAZCZRPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093706
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_4021704,ZINC22_191257,PC-id_5167086,SPECS-id_AG-690/37079135,SCHEMBL8290584,SPECS-id_AN-153/KC13197,MCULE-8981394805	342.455	CLHWVJZZKLYGHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093707
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)NCCC	TIMTEC36340,CoCoCo_735314,EMOLS-id_2123381,ZINC22_2946875,PC-id_2266985,MCULE-7694573095	342.455	UFDYMMKEWPVQIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093708
c1(NC(=O)Cc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NC	MCULE-5572053808,EMOLS-id_334331100	342.455	OFKXENFBPQPTOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093709
c1(NC(=O)CCc2ccccc2C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330588,MCULE-5840197400	342.455	RVWKOSHRALZYKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093710
c1(NC(=O)CCCc2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	PC-id_84418171,EMOLS-id_181348456,MCULE-9878116315	342.455	YKJIGDBKDLAEDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093711
c1(NC(=O)CC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328490,MCULE-4496620598	342.455	QWSHGERCVUTYOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093712
Cc1ccccc1NC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2	MCULE-7540310906,EMOLS-id_43220785,ZINC22_284094,PC-id_786575,CoCoCo_134989	342.455	ZOUNJMWMSVGWMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093713
Cc1cc(C)c(NC(=O)CNC(=O)c2cc3c(s2)CCC3)c(C)c1	MCULE-4006973718,PC-id_26312972,ZINC22_14941387,EMOLS-id_44490884	342.455	DTCWRHCFDJDMCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093714
Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCC2	PC-id_40354003,ZINC22_33186620,MCULE-7987857317,EMOLS-id_48212789	342.455	QOUNEUHWBSSAEA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093715
CCCC(=O)Nc1ccc(cc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_87001399	342.455	OBGDPXVBCONILI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093716
C=CCNC(=O)c1c(NCc2cccc(c2)OC)sc2c1CCC2	PC-id_143034503	342.455	DXQQPAGVUPJMEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093717
C[C@@H]1COCCN1c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_152096256	342.455	ZSLGJMLMJIDSOD-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093718
C[C@H]1COCCN1c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_152096337	342.455	ZSLGJMLMJIDSOD-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093719
COc1ccccc1N1CCN(CC1)C(=O)c1cc2CCCc2s1	CoCoCo_3239240,CHEMBL1442697,MCULE-6677492680,ChEMBL-DNDi_CHEMBL1442697,SCHEMBL13856575,ZINC22_3446226,PC-id_2566372,BindingDB_PC-id_2566372,EMOLS-id_3316954,PD122718,BindingDB-id_75510	342.455	GLAOCXAZECLJMA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093721
COc1cccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1	ZINC22_6831498,EMOLS-id_3481751,CoCoCo_3182788,PC-id_4827191,MCULE-3476545300	342.455	XBKSBSUFHZJXNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093722
COc1ccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	MCULE-6204575253,ZINC22_8138739,PC-id_9271951,CoCoCo_3249847,EMOLS-id_3665149	342.455	GNWKYZYUSJRWCO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093723
COc1c(sc2c1CCC2)C(=O)N1CCN(CC1)c1ccccc1	PC-id_91956555	342.455	AOHIETRBPXDIBA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093724
OC1CCN(CC1)c1ccccc1NC(=O)c1sc2c(c1)CCC2	PC-id_110900164	342.455	BJEHCFCHHAKVQL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-093725
O(c1c(C[NH+](Cc2n[nH]c3c2CCC3)C)cccc1OC)CC(=C)C	PC-id_52399629	342.455	NIPQAWVRHSTBGB-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-093726
O=C(c1cc2c(s1)CCC2)N(Cc1cccnc1)C[C@@H]1CCCO1	ZINC22_84425026,PC-id_97012532	342.455	FHILEVVYRKGHJT-INIZCTEOSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093727
O=C(c1cc2c(s1)CCC2)N(Cc1cccnc1)C[C@H]1CCCO1	ZINC22_84425029,PC-id_97012533	342.455	FHILEVVYRKGHJT-MRXNPFEDSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093728
O=C(c1ccccc1)Nc1c(CN2CCOCC2)c2c(CCC2)s1	CoCoCo_4651744,PC-id_3534291,ZINC22_19911520,EMOLS-id_5484064,MCULE-7583751493	342.455	HSZBONUUXFFUAT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093729
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)(O)Cc1ccccn1	EMOLS-id_278972455	342.455	JTTAPPRTIMSOOE-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-093730
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)N1CCOCC1C	EMOLS-id_189680895,MCULE-2083601624	342.455	ZSLGJMLMJIDSOD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093731
O=C(c1sc2c(c1)CCC2)N(Cc1cccnc1)CC1CCCO1	PC-id_71939292,EMOLS-id_44498942,MCULE-9017557214	342.455	FHILEVVYRKGHJT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093732
O=C(/C(=C/1SC2=C(N1C)CCC2)/N1CCOCC1)c1ccccc1	PC-id_71221448,SCHEMBL14627748	342.455	XUVDMOADRKUJEO-HTXNQAPBSA-N	00000011000010110001000010000000000000000000000000000000	25-01-093733
O=C(NCc1ccccc1N1CCOCC1)c1cc2c(s1)CCC2	PC-id_51127373,ZINC22_58417349,EMOLS-id_33363863,MCULE-1227946717	342.455	AVPGPAJGWUSASC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093734
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCC2	PC-id_51125297,EMOLS-id_33360623,MCULE-7378028567,ZINC22_56198797	342.455	VREDAVCJVQPAAJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093735
O=C(NCc1ccnc(OC2CCCC2)c1)c1cc2c(s1)CCC2	PC-id_71896360,EMOLS-id_44529228,MCULE-8026891989,ZINC22_84613388	342.455	PSMJOPKPDABAEA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093736
s1c2CCCc2cc1C(=O)Nc1ccc(C(=O)N(CC)CC)cc1	PC-id_8503685	342.455	GWLPRUMPCNMMLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093737
s1c2CCCc2cc1C(=O)Nc1cc(C(=O)N(CC)CC)ccc1	PC-id_31365659	342.455	KUBGPCMICJIOEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093738
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1c(c(ccc1)C)C)C	PC-id_9161211	342.455	SXZUNUVCOXSXGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093739
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1c(ccc(c1)C)C)C	PC-id_9318889	342.455	MSIFVKQHKHLGRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093740
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1c(cccc1C)C)C	PC-id_9426058	342.455	JBQNYRVERPCKNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093741
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1c(CC)cccc1)C	PC-id_9378521	342.455	ZJMAIJZHRTYAOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093742
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	PC-id_27684410	342.455	REBRDDRBICXFFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093743
s1c2c(CCC2)c(c1N=Cc1ccc(N(C)C)cc1)C(=O)OCC	PC-id_23988816	342.455	FLVJOJLTUDLHRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093744
s1c2c(CCC2)c(c1N=Cc1c(OCC)c(cc(c1)C)C)C(=O)N	PC-id_50886577	342.455	DHHFOHRIGAHOIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093745
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1C)C)C)C(=O)N	PC-id_25906588	342.455	XWZRHUWFVBEZMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093746
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(C(C)C)cc1)C(=O)N	PC-id_41362428	342.455	LHTNUGFYBVORLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093747
S1C2=C(N(C1=C(N1CCOCC1)C(=O)c1ccccc1)C)CCC2	PC-id_78040176	342.455	XUVDMOADRKUJEO-UHFFFAOYSA-N	00000011000010110001000010000000000000000000000000000000	25-01-093748
CC1CN(CCN1CC(O)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101023819	342.457	MJOLGGZLVSRLNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093749
CC1CN(CCN1S(=O)(=O)c1cnc2n1CCC2)CC(O)(C)C	EMOLS-id_101031376	342.457	CWNMMUZDBHIUPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093750
C[C@@H]1CN(CCN(S(=O)(=O)c2cnc3n2CCC3)C)C[C@@H](O1)C	EMOLS-id_100872756	342.457	CYWTWXBSFDMFGV-BETUJISGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093751
CC(N1CCC(CC1)(O)CNS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100223551	342.457	IYWOUXOZXPIZRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093752
CN(S(=O)(=O)c1cnc2n1CCC2)CCN1CCOC(C1)(C)C	EMOLS-id_100883436	342.457	LURLIOXAARQJFV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093753
CN(S(=O)(=O)c1cnc2n1CCC2)C(CN1CCOCC1)(C)C	EMOLS-id_101960669	342.457	HYYGZEKJHVFNRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093754
COCC(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_102230571	342.457	KDLOXEWKSLAWOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093755
s1c2CCCc2cc1C(=O)NCc1sc(S(=O)(=O)N)cc1	PC-id_60630289	342.457	RJAUAVVXWVNMBF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093756
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1sc(cc1)C	PC-id_24449574	342.457	ABFSIWFKRBYSAQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093757
Cc1cc(ccc1NC(=O)c1n[nH]c2c1CCC2)N1CCSCC1	EMOLS-id_98468372	342.458	QHZDARPSLCQTEE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093758
Cc1ccc(N2CCCN(C(=O)c3cc4c(s3)CCC4)CC2)nn1	ZINC22_69491514,MCULE-6122600946,EMOLS-id_36343816,PC-id_53571491	342.458	STSVDUOMEKVDNN-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-093759
Cc1ccc(NC2CCN(C(=O)c3cc4c(s3)CCC4)CC2)nn1	ZINC22_69778317,EMOLS-id_36683547,PC-id_53605516,MCULE-3541198505	342.458	NLLXCWJEIOMESI-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-093760
CC1=C([S]=C(N1)c1ccccc1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_320517683	342.458	KLVMCFCOXLOEBL-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-093761
CCCc1nc2s/c(=Cc3ccc(cc3)N(CC)CC)/c(=O)n2n1	EMOLS-id_324847328	342.458	GWRVCLKLUVHKEA-QINSGFPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093762
CCC(CC)c1nc2s/c(=Cc3ccc(cc3)N(C)C)/c(=O)n2n1	EMOLS-id_324849899	342.458	JUZCBWXMIJDQCE-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093763
CCN(CC)c1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1	EMOLS-id_324849385	342.458	GOCHLRCBUOIUIG-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093764
CN(c1cccnn1)C1CCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_36683381,PC-id_53619296,MCULE-3675970956,ZINC22_69948650	342.458	MOBFSBDIDBPZFE-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-093765
CN(c1cncc(n1)C1CCCN1C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_242047,BDE-32084996,MCULE-7894488469	342.458	SQPVIWYKCTTZLV-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093766
CN(C)c1cncc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257305581	342.458	SQPVIWYKCTTZLV-AWEZNQCLSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093767
CN(C)c1cncc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257305582	342.458	SQPVIWYKCTTZLV-CQSZACIVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-093768
C(=O)(N1CCCC1)c1cccnc1NCCc1sc2c(CCC2)n1	EMOLS-id_317373131,PC-id_135100690,ZINC22_1704338376,MCULE-5482570557	342.458	STPZASGACQPUOT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093769
n12c(=O)c(=Cc3ccc(N(C)C)cc3)sc1nc(C(CC)CC)n2	MCULE-1217117254	342.458	JUZCBWXMIJDQCE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093770
n12c(=O)c(=Cc3ccc(N(CC)CC)cc3)sc1nc(C(C)C)n2	MCULE-9465288255	342.458	GOCHLRCBUOIUIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093771
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)CCC	MCULE-7690041967	342.458	GWRVCLKLUVHKEA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093772
NC(=O)c1ccc(N2CCN(Cc3nc4c(s3)CCC4)CC2)cc1	EMOLS-id_49338313,PC-id_75515996,MCULE-7829778591,ZINC22_97033963	342.458	XVYYXJCWWLAAOT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093773
O=C(c1cccc(c1)NCc1cnc2n1CCC2)N1CCSCC1	EMOLS-id_318386442,MCULE-6162260247	342.458	QKNFPIULXGHANP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093774
O=C(c1ccncc1)N1CCC(CC1)NCc1sc2c(n1)CCC2	MCULE-4027237401,EMOLS-id_318244438	342.458	ANCICADFWGMKPK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-093775
O=C(c1ccncc1)N1CCCN(Cc2nc3c(s2)CCC3)CC1	PC-id_75471889,EMOLS-id_48812749,ZINC22_95986566,MCULE-2416872203	342.458	NZCYBKINIAHGSK-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-093776
O=C(c1cnn2c1CCC2)Nc1ccccc1CN1CCSCC1	EMOLS-id_318141532	342.458	COLBDBLVQTVVEZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093777
O=C(N1CC(C1)Cc1ccccc1)NCCc1nc2n(c1)CCS2	EMOLS-id_318260019	342.458	SNOPRYDBHKKNMG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-093778
O=C(N1CCc2c(C31CCNCC3)[nH]cn2)c1sc2c(c1)CCC2	EMOLS-id_319589057	342.458	UWQWVWXGHSHXLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093779
O=C(N1CCCC1c1cccnc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999988	342.458	HJRRTUOUVOCXMC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-093780
O=C(N1CCCC1c1ccncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000024	342.458	WOSYZMKILMGGSE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-093781
O=C(Nc1nc2c(s1)CCC2)c1ccc(N2CCCCCC2)nc1	PC-id_37127090,MCULE-2547051573,ZINC22_29860390,EMOLS-id_48212412	342.458	OYUVDAXLBQFZEE-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-093782
O=C(Nc1sc2c(n1)CCC2)CN1C[C@H]([C@@H](C1)N)c1ccccc1	PC-id_120761201	342.458	KXAWTVDBNDYLJV-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093783
Cc1[nH]cnc1CSCCNC1=NS(=O)(=O)c2cscc12	PC-id_136109132,CHEMBL34936	342.46	JORJBTNXKCHQAC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-093784
[Si](c1oc(OCCC(=C)c2ccccc2)c2c1COC2=O)(C)(C)C	PC-id_11256371	342.461	MHRFMFICECDPDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093785
CCOC(=O)c1c(NC(=O)C(N)CCSC)sc2CCCc12	MCULE-7788274810,EMOLS-id_327843744	342.477	ROTKKWKIKGFFKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093786
CCS(=O)(=O)N1CCC(NC(=O)c2cc3c(s2)CCC3)CC1	CoCoCo_4747026,MCULE-8999943959,PC-id_31835472,ZINC22_24461550,EMOLS-id_30007360	342.477	DGEFYEGHHOCOPI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093787
CCS(=O)(=O)NC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_110506064	342.477	BQXPHFZJGOQABE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093788
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_24680176	342.477	MCDXXDPLYILKHN-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093789
CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_24680182	342.477	MCDXXDPLYILKHN-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093790
O=C(C1(C)CCS(=O)(=O)CC1)NCCc1sc2c(n1)CCC2	EMOLS-id_318852035	342.477	UOHNEWLLAWVFKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093791
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)CNS(=O)(=O)C	EMOLS-id_110565218	342.477	HOWFCXDNQNMLJI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093792
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)N(S(=O)(=O)C)C	EMOLS-id_110589072	342.477	OPYFXVVNPDJRCU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093793
O=C(c1sc2c(c1)CCC2)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_110307698	342.477	DGWZQIOYSRDYJZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093794
O=C(C(S(=O)(=O)C1CC1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181917	342.477	RANXKOVBDLNQKG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-093795
O=C(N1CCCCC1CNS(=O)(=O)C)c1sc2c(c1)CCC2	MCULE-8784591055,PC-id_51079362,EMOLS-id_33305779	342.477	MCDXXDPLYILKHN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093796
O=C(NCCS(=O)(=O)NCC1CCC1)c1cc2c(s1)CCC2	EMOLS-id_45760210,ZINC22_89765023,MCULE-9640918443,PC-id_71876979	342.477	VTBWSUFJUQYYNP-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-093797
c1(NC(=O)c2ccccc2SCCC)sc2c(CCC2)c1C#N	EMOLS-id_322823713,MCULE-3817997526	342.478	OVUPAHPBHVYEFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093798
c1(NC(=O)c2ccc(cc2)SCCC)sc2c(CCC2)c1C#N	MCULE-3913694783,EMOLS-id_322838198	342.478	LYZMSKOVGCUDIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093799
c1(NC(=O)CCCSc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_5623930,PC-id_16800234,CoCoCo_5189381,MCULE-8166982747,ZINC22_10217821	342.478	VTAZKPULQDEYJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093800
c1(NC(=O)CCSc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_322819369,PC-id_112763446,MCULE-4187890570	342.478	GXEVEGJOKQSZSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093801
CC(COc1ccc(cc1)C(CNC1CC(n2c1ncn2)C)(C)C)C	EMOLS-id_319735155	342.478	AUZAQTIKVVJSMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093802
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2	ZINC22_1565546099	342.478	TWZGCKNVNGSPKV-HXUWFJFHSA-N	00000010100011000001000010000000000000000000000000000000	25-01-093803
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2	ZINC22_1614927474	342.478	TWZGCKNVNGSPKV-FQEVSTJZSA-N	00000010100011000001000010000000000000000000000000000000	25-01-093804
Cn1nc(CN2CCCCC2)c2CN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313734611	342.478	TWZGCKNVNGSPKV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-093805
s1c2CCCc2cc1C(=O)Nc1c(N2CC[NH+](CC2)C)cccc1	PC-id_8850443	342.478	PZCJTEBFDJXTCR-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-093806
s1c2CCCc2cc1C(=O)NCc1c[nH+]c(N2CCCCC2)cc1	PC-id_52528538	342.478	ZRKNVMUFRPNFEK-UHFFFAOYSA-O	00000010100010101000100010000000000000000000000000000000	25-01-093807
s1c2CCCc2cc1C(=O)NCCSCc1c(cccc1)C#N	PC-id_9471785	342.478	NWFDGHKKFJETPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093808
s1c2CCCc2c(c1NC(=O)c1ccc(SC(C)C)cc1)C#N	PC-id_41147413	342.478	BQHVYWZUMAHXFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093809
s1c2CCCc2c(c1NC(=O)c1cc(SC(C)C)ccc1)C#N	PC-id_41146778	342.478	FKUUAHQQLAMQGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093810
s1c2CCCc2c(c1NC(=O)Cc1ccc(SCC)cc1)C#N	PC-id_41126618	342.478	UMFXTKUSQMLIOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093811
s1c2CCCc2c(c1NC(=O)CSc1c(cc(cc1)C)C)C#N	PC-id_8113848	342.478	HGEKRJXGDQJSAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093812
s1c2CCCc2c(c1NC(=O)CSc1cc(c(cc1)C)C)C#N	PC-id_8633813	342.478	TTZREFMKJXAEBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093813
s1c2CCCc2c(c1NC(=O)CSCc1c(cccc1)C)C#N	PC-id_7654885	342.478	WMFNXTWEFXZOQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093814
CC(CC(CCn1nnc2c1CCC2)C)CCn1nnc2c1CCC2	SCHEMBL18057205	342.482	MHMWAWIWNSAJTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093815
COc1ccccc1CCC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C	PC-id_143171819	342.495	VKTKYKDXEZNBBM-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093816
Cc1ccc(c(c1)C)[C@H](NC(=O)c1sc2c(c1)CN(C2)C(C)C)C	PC-id_95101991	342.498	URKRSEXQRGWZTR-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093817
Cc1ccc(c(c1)C)[C@@H](NC(=O)c1sc2c(c1)CN(C2)C(C)C)C	PC-id_95101992	342.498	URKRSEXQRGWZTR-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093818
CCC(C(C(=O)Nc1sc2c(c1NC)CCC2)c1ccccc1)C	PC-id_142951477	342.498	CRPKHIZXYYCJML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093819
CC(C)N1Cc2cc(sc2C1)C(=O)NCc1ccc(cc1)C(C)C	PC-id_53171069,EMOLS-id_32995690	342.498	XSHMPDIGRXZZAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093820
COc1cccc([C@H](CN[C@@H]2CCc3ccsc23)N2CCCC2)c1	ZINC22_1875261229	342.498	UTQNUSJZLMYDBX-MOPGFXCFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093821
COc1cccc([C@H](CN[C@H]2CCc3ccsc23)N2CCCC2)c1	ZINC22_1875261230	342.498	UTQNUSJZLMYDBX-OALUTQOASA-N	00000010100000110000000010000000000000000000000000000000	25-01-093822
COc1cccc([C@@H](CN[C@H]2CCc3ccsc23)N2CCCC2)c1	ZINC22_1875261231	342.498	UTQNUSJZLMYDBX-RBUKOAKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093823
COc1cccc([C@@H](CN[C@@H]2CCc3ccsc23)N2CCCC2)c1	ZINC22_1875261232	342.498	UTQNUSJZLMYDBX-RTBURBONSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093824
OCC1(CCCN(C1)Cc1sc2c(n1)CCC2)Cc1ccccc1	EMOLS-id_318018861	342.498	QMOWCDWUULRDSB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093825
s1c2CCCc2cc1C(=O)NCc1ccc(CN(CC)CC)cc1	PC-id_8948003	342.498	XCJIZUSDRCVZEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093826
s1c2CCCc2cc1C(=O)NCc1c(CN(CC)CC)cccc1	PC-id_9073455	342.498	IHNYMGJAHCJCHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093827
s1c2CN(Cc2cc1C(=O)NC(c1c(cc(cc1)C)C)C)C(C)C	PC-id_53171055	342.498	URKRSEXQRGWZTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093828
s1c2CN(Cc2cc1C(=O)NC(c1ccc(cc1)CC)C)C(C)C	PC-id_53171058	342.498	PNTDZXWQFMMAIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093829
Cc1cc(NCc2nc3c(s2)CCC3)cc(N2CCN(C)CC2)c1	PC-id_86819179,ZINC22_170608790,EMOLS-id_49977970,MCULE-4406820112	342.502	DWTHMQHSBLZNLX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-093830
CN(Cc1nc2c(s1)CCC2)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC22_328631724,MCULE-3849114395,EMOLS-id_112047655	342.502	KUKZNSCRULAFMU-KXBFYZLASA-N	00000010100000101001100010000000000000000000000000000000	25-01-093831
N1CCCC(CC1)N(Cc1sc2c(n1)CCC2)Cc1ccccn1	EMOLS-id_318246978	342.502	MLGLTGCWOYWVIB-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-093832
S1CCN(C(C1)CNCc1cnc2n1CCC2)Cc1ccccc1	EMOLS-id_318033058	342.502	VCHCAMRMNMBNAS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-093833
CCc1ccc([C@H](CN[C@H]2CCc3ccsc23)N(CC)CC)cc1	ZINC22_1875387977	342.541	IJNSKAXLNQVYOB-PMACEKPBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093834
CCc1ccc([C@H](CN[C@@H]2CCc3ccsc23)N(CC)CC)cc1	ZINC22_1875387978	342.541	IJNSKAXLNQVYOB-UXHICEINSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093835
CCc1ccc([C@@H](CN[C@H]2CCc3ccsc23)N(CC)CC)cc1	ZINC22_1875387979	342.541	IJNSKAXLNQVYOB-VQTJNVASSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093836
CCc1ccc([C@@H](CN[C@@H]2CCc3ccsc23)N(CC)CC)cc1	ZINC22_1875387980	342.541	IJNSKAXLNQVYOB-WOJBJXKFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093837
Brc1cnc(c(c1)Cl)NC(c1nnc2n1CCC2)C	MCULE-4386421001,EMOLS-id_318192238	342.622	HJPLEMMWNJMCAV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093838
Clc1cnc(c(c1)Br)NC(c1nnc2n1CCC2)C	MCULE-2453032594,EMOLS-id_318082344	342.622	YIZUQFJEMJUVJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093839
CCOC(=O)c1c2CSCn2c(c1)C(=O)C(Cl)(Cl)Cl	SCHEMBL15166121,PC-id_89733980	342.626	OJUJOUXJGXHZBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093840
CCOC(=O)c1c2n(CCS2)c(c1)C(=O)C(Cl)(Cl)Cl	SCHEMBL15166123,PC-id_89733982	342.626	KCWCBTAIEXHZBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093841
ClC(Cl)(Cl)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_5087590	342.626	YPHUHSQKWKDJAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093842
Brc1ccc(CNC2CCc3sc(Cl)cc23)cc1	PC-id_81251827	342.682	QPTHWJQEOIWDIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093843
Brc1cc(c(NC2CCc3sc(Cl)cc23)cc1)C	PC-id_81251395	342.682	YLPZLLUZMMTRPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093844
Brc1c(cc(NC2CCc3sc(Cl)cc23)cc1)C	PC-id_81252466	342.682	UOQSCMNOGXLUFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093845
Brc1cc(CNC2CCc3sc(Cl)cc23)ccc1	PC-id_81252496	342.682	HBXHPSBYOVGEBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093846
Brc1cc(NC2CCc3sc(Cl)cc23)c(cc1)C	PC-id_81252174	342.682	HOCONZBQYNBOJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093847
Brc1c(CNC2CCc3sc(Cl)cc23)cccc1	PC-id_81252593	342.682	JHXTYXJTHNVCCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093849
Brc1c(NC2CCc3sc(Cl)cc23)ccc(c1)C	PC-id_81251584	342.682	WCGBNMWDOHXSJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093850
Brc1c(NC2CCc3sc(Cl)cc23)cccc1C	PC-id_81702890	342.682	LWUNSBSXSLXXQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093851
Brc1c(NC2CCc3sc(Cl)cc23)cc(cc1)C	PC-id_82761844	342.682	XJHDYJFDSLLSHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093852
BrC(c1sc2c(c1)CCC2)Cc1ccncc1Cl	PC-id_112656206	342.682	MLBBVSUVGXQNEV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093853
Clc1cc2c(s1)CCC2Nc1cc(C)cc(c1)Br	PC-id_107582241	342.682	UUTKNPFNCONIIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093854
Clc1sc2c(c1)C(CC2)Nc1cccc(c1C)Br	PC-id_107629950	342.682	XWSVQCSMMYAHTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093855
FC(Oc1cccc(c1CNC(=O)C1NCc2c1c[nH]n2)Cl)F	EMOLS-id_319084725	342.728	DAHXOLWRUBPXTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093856
CC1CCc2c1c(C=O)nn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-6232566727,EMOLS-id_331002357	342.743	SLJMGXPGTIFCDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093857
CC1CCc2c1c(C=O)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	MCULE-1489058736,EMOLS-id_331004917	342.743	LDHOCXIYRIYYMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093858
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(C=O)c12	EMOLS-id_330986160,MCULE-9342641959	342.743	PUTDIPSNEFQLIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093859
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(C=O)c12	EMOLS-id_330988720,MCULE-3942218885	342.743	MRNCYIMCKXAILX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093860
CC1(c2nn(c(c2CN1C(=O)Cl)NC(=O)C(C)(C)C)C(=O)O)C	SCHEMBL4527387,PC-id_87683189	342.778	LLRLBPJQEIMPTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093861
Clc1ccccc1c1ccc(o1)C(=O)NCc1nnc2CCCn12	ZINC22_54904451,MCULE-6180218931,PC-id_70768849,EMOLS-id_44737390	342.78	VLQQDPOPHMALAL-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-093862
Clc1ccc(NC(=O)c2n3c(CCC3)c(c2NC(=O)C)C#N)cc1	PC-id_393852,NSC696779,CoCoCo_5763410	342.78	PHUDSDGYYVIQDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093863
Clc1c(NC(=O)c2n3c(CCC3)c(c2NC(=O)C)C#N)cccc1	PC-id_51042534	342.78	JAPHYKIZGXPMIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093864
ClCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1ccccc1	PC-id_76326423	342.78	OTNUNOLPQSXQFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093865
Clc1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)n1cncn1	EMOLS-id_319311029	342.783	GXAXUNRPXJKXFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093866
Clc1ccc(cc1)n1ncc(n1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318875127	342.783	NCIKAXOXZXZEPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093867
Clc1ccc(cc1)n1ncc(n1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319009873	342.783	WPQGVYAWKJZBPK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093868
Clc1cccc(c1)n1nnc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320083589,MCULE-3026719667	342.783	KKSXGSAFGYZMGA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093869
BrCc1c(I)sc2CNCc12	EMOLS-id_331066926,MCULE-5263539039	344.011	MZDSHVJDMQEXEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094721
O=C(c1nnn(c1)c1ccccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319505979	342.783	DNXZYAANONDFBL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093870
CC1CCc2c1c(CCl)nn2Cc1cccc(c1C)C(F)(F)F	EMOLS-id_331026433,MCULE-6183531952	342.786	CJOVKTOIAYNRDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093871
CC1CCc2c1c(CCl)nn2Cc1cc(ccc1C)C(F)(F)F	MCULE-2233458856,EMOLS-id_331029760	342.786	FOIRWRMUBLJTNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093872
CC1CCc2c1c(CCl)nn2Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_331030272,MCULE-4190668749	342.786	ISXJUWBCQAXXJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093873
CC1CCc2c1c(CCl)nn2Cc1ccc(C)c(c1)C(F)(F)F	MCULE-5997710647,EMOLS-id_331030016	342.786	YZMXDGIBBNKAJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093874
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(CCl)c12	EMOLS-id_331006395,MCULE-6144681978	342.786	HBJRUZSVSYKTHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093875
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(CCl)c12	EMOLS-id_331009722,MCULE-9842732802	342.786	WWVHQZIYEQSERD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093876
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(CCl)c12	MCULE-2356303331,EMOLS-id_331009978	342.786	NWDIHTSYEHGMTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093877
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(CCl)c12	MCULE-3667330484,EMOLS-id_331006139	342.786	RIYFHPOOHYUMPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093878
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330959544,MCULE-1453017574	342.786	VMZXAWNTGHJSEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093879
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009727,MCULE-2458730363	342.786	DLUREMBKYWFLQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093880
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1CCl	MCULE-3660278173,EMOLS-id_331007934	342.786	FOMLKADNJSPAGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093881
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1CCl	MCULE-6532310384,EMOLS-id_331006140	342.786	ZDBXRORJNNLLST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093882
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1Cl	MCULE-8801753838,EMOLS-id_330959288	342.786	MQVGAUZXZWGPGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093883
CN(C1CCc2c1sc(c2)Cl)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20477569,PC-id_135309193	342.791	JFPXJYIJZYBQOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093884
CN([C@H]1CCc2c1sc(c2)Cl)C(=O)Nc1cc(c(cc1)F)F	PC-id_135309192,SCHEMBL20477568	342.791	JFPXJYIJZYBQOP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093885
O=C(c1ccc(c(c1F)F)Cl)NCCc1sc2c(n1)CCC2	EMOLS-id_320106898,MCULE-5497677005	342.791	ANLMJWYPKDCUEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093886
COc1ccc(cc1Cl)S(=O)(=O)NCc1nnc2CCCn12	EMOLS-id_316200396,MCULE-8518411969,ZINC22_298471024	342.801	BQMMTRHBNLXHLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093887
O=C(NS(=O)(=O)c1ccnc(Cl)c1)c1cc2c(s1)CCC2	PC-id_75450826,MCULE-3288582608,ZINC22_95997344	342.821	KIHPHDNBZZUYHF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-093888
C[C@H](NCc1ccc(c2ccc(Cl)cc2)o1)c1nnc2n1CCC2	PC-id_52910511,ZINC22_62640078	342.823	ITQPSALRIUMVFZ-LBPRGKRZSA-N	00000010101000110001100010000000000000000000000000000000	25-01-093889
C[C@@H](NCc1ccc(c2ccc(Cl)cc2)o1)c1nnc2n1CCC2	PC-id_52910513,ZINC22_62640079	342.823	ITQPSALRIUMVFZ-GFCCVEGCSA-N	00000010101000110001100010000000000000000000000000000000	25-01-093890
Clc1ccc(c2oc(CNC(c3n4CCCc4nn3)C)cc2)cc1	EMOLS-id_35774364,PC-id_54579640,MCULE-8625063058	342.823	ITQPSALRIUMVFZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-093891
Clc1n(cnc1S(=O)(=O)Nc1sc2c(CCC2)c1C#N)C	PC-id_61053187	342.824	ZEJRCVMISFUABL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093892
Clc1c(C2C(C(=O)Nc3c(C#N)c4c(CCC4)s3)C2)cccc1	MCULE-1427804420,EMOLS-id_327958761	342.843	KNNLTEAEGMJKMD-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-093893
CCOC(=O)C1CCc2c1nc(s2)NCc1ccc(s1)Cl	PC-id_104288961	342.864	JRKDNDKODSJEMO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093894
Clc1ccc(cc1S(=O)(=O)C)NCc1sc2c(n1)CCC2	EMOLS-id_318367122,MCULE-8451469732	342.864	OKOIOQSMWCEHHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093895
Clc1cc(N)c(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1	PC-id_61207014	342.864	HWGPMCBLIWFTRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093896
Clc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)c(N)cc1	PC-id_61208544	342.864	WKQQAQYTSULQFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093897
Clc1c(N)cc(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1	PC-id_61208737	342.864	VOKBPWWEMSDKJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093898
Clc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)ccc(N)c1	PC-id_61208541	342.864	VOTYSUJUDPDGEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093899
Clc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)cc(N)cc1	PC-id_61208342	342.864	OKSLUJWLCPKJIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093900
Clc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)c(N)ccc1	PC-id_61891155	342.864	HJSRMMIHKSWLGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093901
Clc1sc2CCC(Nc3ccc(cc3)CS(=O)(=O)N)c2c1	PC-id_81235593	342.864	OGLADNUALSSSHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093902
Clc1sc2CCC(Nc3ccc(NS(=O)(=O)C)cc3)c2c1	PC-id_81235190	342.864	VOEMYTXHPZSTIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093903
Clc1sc2CCC(Nc3ccc(S(=O)(=O)NC)cc3)c2c1	PC-id_81233899	342.864	BLVYOMIYESMMMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093904
Clc1sc2CCC(Nc3cc(NS(=O)(=O)C)ccc3)c2c1	PC-id_81233709	342.864	QQPTYFHNGJTYCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093905
Clc1sc2CCC(Nc3cc(S(=O)(=O)N)c(cc3)C)c2c1	PC-id_81235223	342.864	YPEAOLZXRSDSNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093906
Clc1sc2CCC(Nc3cc(S(=O)(=O)NC)ccc3)c2c1	PC-id_81234918	342.864	SVYMYMMHWPRJAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093907
Clc1sc2CCC(Nc3c(NS(=O)(=O)C)cccc3)c2c1	PC-id_81233901	342.864	YHXVUMBVQAZGMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093908
Clc1sc2CCC(Nc3c(S(=O)(=O)NC)cccc3)c2c1	PC-id_81234122	342.864	MZOPLJXIKLKSMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093909
Clc1sc2c(C(Nc3c(ccc(S(=O)(=O)N)c3)C)CC2)c1	PC-id_81235592	342.864	BZMUKGPQCSAZTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093910
Clc1sc2c(C(Nc3c(c(S(=O)(=O)N)ccc3)C)CC2)c1	PC-id_81247218	342.864	AHOBHEVPYLRCKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093911
Clc1sc2c(C(NCc3ccc(S(=O)(=O)N)cc3)CC2)c1	PC-id_81234820	342.864	MWZTWOBXKLQUIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093912
Clc1sc2c(C(NCc3cc(S(=O)(=O)N)ccc3)CC2)c1	PC-id_81234126	342.864	RSYNSHPZZDBUEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093913
ClCCc1ccc(S(=O)(=O)Nc2sc3CCCc3n2)cc1	PC-id_61072960	342.864	PZLKLTSEGGSMRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093914
O=C(N1CCC(C1)NC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_107239365	342.884	CNGNVKQJISAFEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093915
O=C(OC(C)(C)C)NC1CC(C1)NC1CCc2c1cc(s2)Cl	PC-id_107238956	342.884	DFTMNNCXEDEACH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-093916
O=C(OC(C)(C)C)NC/C=C/CNC1CCc2c1cc(s2)Cl	PC-id_107252911	342.884	XGTJUBVSUGZCQZ-SNAWJCMRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093917
CCC1(CC1)C(=O)N2CC3=C(C2)SC(=C3Br)C(=O)O	MCULE-4622187641,PC-id_154766268,EMOLS-id_257945791	342.988	FWIODPNTDNQUJH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-093918
BrCc1c(I)sc2CCCc12	MCULE-4995062644,EMOLS-id_331061544	343.023	XAEKQTCYNZZRND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093919
BrCC(=O)NC1CC(=O)c2c1c(Cl)sc2Cl	PC-id_11602603	343.024	WQFOAALOCNOFAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093920
CS(=O)(=O)N1C=C2CN(CC2=N1)OS(=O)(=O)C3=CC=CC=C3	PC-id_150973194	343.03	LONYTXBGWGHSCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093921
CN1C(=C2CCCC2=N1)NS(=O)(=O)C3=CC(=C(C(=C3)F)OC)F	PC-id_154771230,EMOLS-id_317336860,MCULE-3679110164	343.08	QNANJHUXKPQDAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093922
CC1=CC(=NN1C2=CC(=CC=C2)Cl)NC(=O)C3=NN4CCOC4=C3	EMOLS-id_317297884,MCULE-9350155080,PC-id_154758697	343.084	JXNHPYMNIBMSDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093923
C1C2=CN(N=C2CN1C(=O)CCO)SC3=CN(N=C3)CC(F)F	PC-id_164872072	343.091	WYARGHVECRNYGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093924
C1C2=CN(N=C2CN1C(=O)CCO)SC3=NN(C=C3)CC(F)F	PC-id_164872161	343.091	IUDSXAKHNDLXCM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093925
CC1=NN2CCN(C2=C1C(=O)O)CC3=CC(=CC(=C3)F)C(F)(F)F	PC-id_162079622	343.094	CPTAUHKJALEFFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093926
CC1=NC(=NO1)C(C2=CC=CC=C2F)NC(=O)C3=NN4CCOC4=C3	PC-id_154801635	343.108	FCEQLNNHLVNQRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093927
CN1C(=CC(=N1)C2=CC=CO2)NC(=O)NCC3=NC4=C(S3)CCC4	MCULE-4689155724,PC-id_154786064,EMOLS-id_317747150	343.11	SKICWELHPIBAPL-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-093928
Brc1c(NC(=O)c2noc3CCCc23)c(F)cc(F)c1	PC-id_3361105	343.124	LUAREMDXDHZNMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093929
CC1=NN=C(O1)C2(CC2)NC(=O)C(=O)C3CCN4C3=CC=C4C(=O)N	PC-id_160096311	343.128	OTUMANXQSDOYSN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-093930
CC(C)COC(=O)[C@@H]1CC2=C([C@H]1N[S@](=O)C(C)(C)C)C=CS2	PC-id_163801945	343.128	NFTFWIBQQNMBJN-MZOGBMEOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-093931
CC(C)(C)C1C(=N)N2C(=C(C=N2)C(=O)NC(=O)C3=CC=C(C=C3)F)N1	PC-id_150596793	343.144	IRADTDXKEZNCBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093932
CC(C(=O)NC1=C(C=CC(=C1)NC(=O)C)OC)N2CCN3C2=NC=C3	MCULE-3024352757,EMOLS-id_317760728,PC-id_154789433	343.164	LYMGLVKTODBEAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093933
Clc1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(F)c(Cl)c1	PC-id_45819266,EMOLS-id_31936720,MCULE-5526147859	343.184	DAGCPPRBGAHHGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093934
O=C(C1NCc2c1c[nH]n2)NC(c1cc(F)c(cc1Cl)Cl)C	EMOLS-id_319176896	343.184	VYZKVZHQXBRMHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093935
C1(=Nc2n(C1=O)ccc2)CS(=O)(=O)c1ccc(c(Cl)c1)Cl	MCULE-4362246345,EMOLS-id_27655920,PC-id_39855481,ZINC22_32611925,CoCoCo_6675995	343.185	IISXWJMANRDTQB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-093936
Brc1c(F)cc(C(=O)c2sc3CCCc3c2)c(F)c1	PC-id_64185422	343.186	AAJQOWHWRNUPHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093937
Fc1ccc(c(c1C(=O)c1sc2c(c1)CCC2)F)Br	PC-id_106944235	343.186	FNFSQEQZMXRAQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093938
COc1nsc(c1Br)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_320312217,MCULE-6213231370	343.2	POARXBMTMGVGQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093939
COc1nsc(c1Br)C(=O)NC1CCn2c1cnc2	EMOLS-id_319673810	343.2	PINOSINJUNGENB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093940
COc1nscc1NC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319320635	343.2	PMYWPKAZRFMARV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093941
Brc1cnc(c(c1)F)NCCc1cn2c(n1)SCC2	EMOLS-id_318151236,MCULE-6320353030	343.218	DOBSCXRTPRQSOY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-093942
OCCC1NCCN(C1)C(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319258307	343.22	PEJSYBBDLLAOON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093943
C1C(c2c(O1)ncs2)C(=O)NC(Cc1ccc(cc1)Cl)Cl	SCHEMBL15903252,PC-id_90303223	343.228	TYHOOEVXTYPRBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093944
c1(NC(=O)COc2ccc(cc2Cl)Cl)snc2CCCc12	MCULE-8702832018,PC-id_54774481	343.228	PWJDWZKDLMHBPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093945
c1(sc2c(CCC2)n1)NC(=O)c1c(Cl)ccc(Cl)c1OC	MCULE-3630656409,EMOLS-id_334661592	343.228	SDKKALZMRYLKKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093946
Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncsc12	BindingDB-id_412887,PC-id_78318485,BindingDB_PC-id_78318485,SCHEMBL15903957	343.228	ONIPPEGMWCCDHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093947
Clc1cc(cc(c1NCc1sc2c(c1)CCC2)Cl)[N+](=O)[O-]	PC-id_106891461	343.228	RNIMUJYVMWAXNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093948
Clc1ccc(CCNC(=O)C2COc3ncsc23)c(Cl)c1	PC-id_78318484,SCHEMBL15903250,BindingDB-id_412888,BindingDB_PC-id_78318484	343.228	UHOKXAIPWULOHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093949
Clc1ccc(Cl)c(OCC(=O)Nc2nc3CCCc3s2)c1	EMOLS-id_44012920,MCULE-5091782212,CoCoCo_4400110,PC-id_25598358,ZINC22_12912509	343.228	CMWBYRLZPDAKJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093950
Clc1cc(Cl)c(OCC(=O)Nc2sc3c(CCC3)n2)cc1	ZINC22_6526243,PC-id_5227193,MCULE-1769823727,EMOLS-id_21276018,CoCoCo_4109952	343.228	IUZDMRMTXWKBOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093951
Clc1cc(NCc2sc3c(CCC3)c2)c([N+](=O)[O-])cc1Cl	PC-id_80345428	343.228	JFBQWBVDFCZPEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093952
Clc1cc(OCC(=O)Nc2sc3CCCc3n2)ccc1Cl	PC-id_37127091	343.228	XETYKHHAACQMMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093953
Clc1sc2c(c1)C(CC2)Nc1cc(Cl)c(cc1C)[N+](=O)[O-]	PC-id_104667860	343.228	GEGIEQPDKOICCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093954
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)c(cc1Cl)C	PC-id_104728591	343.228	ZFQXSPXDVYNOAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093955
OC(=O)C1CCc2c1nc(s2)Nc1c(Cl)ccc(c1Cl)C	PC-id_104287506	343.228	LELOZBUUSNRYNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093956
BrC(c1sc2c(CCC2)c1)c1cc(c(F)cc1F)C	PC-id_79730614	343.23	NSYGUUUXKLTUAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093957
BrC(c1sc2c(CCC2)c1)c1c(F)cc(c(F)c1)C	PC-id_80119339	343.23	MNQYMOIZMYRBEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093958
BrC(c1sc2c(CCC2)c1)Cc1cc(F)c(F)cc1	PC-id_80385114	343.23	JTYLTTBXHTXVKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093959
BrC(c1sc2c(CCC2)c1)Cc1c(F)cccc1F	PC-id_80384545	343.23	RDPBRKJDTWSTIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093960
BrC(c1sc2c(CCC2)c1)Cc1c(F)cc(F)cc1	PC-id_80391168	343.23	RMNIOYSBCYQEIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093961
BrC(c1sc2c(CCC2)c1)Cc1c(F)c(F)ccc1	PC-id_80126886	343.23	NMXADIBUCBZXDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093962
Clc1c(CCC(=O)Nc2n3CCSc3nn2)cccc1Cl	PC-id_73293055,BindingDB_PC-id_73293055	343.232	APINASOTMBYJNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093963
Clc1c(CCC(=O)Nc2n3CCSc3nn2)ccc(Cl)c1	PC-id_73056614,BindingDB_PC-id_73056614	343.232	WPVANBBTWUUEFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093964
Clc1c(CCC(=O)Nc2n3CCSc3nn2)c(Cl)ccc1	PC-id_73293053,BindingDB_PC-id_73293053	343.232	DJNXWSQAIXTYAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093965
c1(NC(=O)c2cc(sc2Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_5466079,ZINC22_4174163,PC-id_3462613,CoCoCo_5010728,MCULE-9951314282	343.251	HMGNHPMJCZTRGL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093966
C[C@]1(COc2ccc(C(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1	PC-id_6483571,CHEMBL375789	343.258	NSUQKXHODNOQCQ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093967
FC(F)(F)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_78413378	343.258	NSUQKXHODNOQCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093968
OC(=O)O[C@H]1CCc2n1c(=O)n(n2)Cc1cccc(c1)C(F)(F)F	SCHEMBL19583633	343.258	KBUXYVYNYDLYCU-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-093969
Brc1sc(C(=O)Nc2sc3CCCc3n2)cc1C	EMOLS-id_315481123,PC-id_79929313	343.263	OARLAPDAHNOWAW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093970
O=C(c1sc2c(c1)CCC2)NCc1sncc1Br	MCULE-7547611870,EMOLS-id_319957566	343.263	NZHWETLLUSTFPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093971
Clc1c(C(O)c2sc3c(CCC3)c2)cc(Cl)c(OCC)c1	PC-id_81831968	343.268	HYEHLNGKXSYQQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093972
ClC(c1sc2c(CCC2)c1)c1cc(OC)c(OC)cc1Cl	PC-id_63432858	343.268	YKUNCPXZBHXLSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093973
COc1ccc(c(c1Cl)OC)C(c1sc2c(c1)CCC2)Cl	PC-id_116464572	343.268	MUBZHUAFGYVHHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-093974
ClC1C(O)C(CC(Cl)C1)/C=N/c1sc2c(CCC2)c1C#N	PC-id_24869561	343.271	CGPVWWQBOQXTNN-FBCYGCLPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093975
ClC1C(O)C(CC(Cl)C1)C=Nc1sc2c(CCC2)c1C#N	PC-id_74339613	343.271	CGPVWWQBOQXTNN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-093976
OC(c1c(Cl)cccc1Cl)CNCc1sc2c(n1)CCC2	PC-id_109948644	343.271	WNMQYKZFOLIVTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093977
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1F	SCHEMBL18739994	343.276	CHMUBYYOKBWXGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093978
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)F	SCHEMBL18740101	343.276	JKFVMKQEMXDXGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093979
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)F	SCHEMBL18740201	343.276	VJUYDFHVSSLACL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093980
O=C(c1cc2n(n1)CCO2)N(Cc1ccc(F)cc1)CC(F)(F)F	MCULE-3266634946,EMOLS-id_316740607,ZINC22_291380346	343.276	BYHLDVMZUQQVOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093981
Fc1c(NC(=O)NCc2n3CCCc3nn2)cccc1C(F)(F)F	PC-id_52950337	343.28	MPALFTURDWZCSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093982
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)C(F)(F)F)F	EMOLS-id_319494292	343.28	QGLGMFHXMRFINF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093983
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(ccc1F)C(F)(F)F	EMOLS-id_319361096	343.28	UVJRTVPIBFECBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093984
O=C(NCc1nnc2n1CCC2)Nc1ccc(F)c(C(F)(F)F)c1	MCULE-6602654925,ZINC22_65439334,PC-id_52950336,EMOLS-id_35742183	343.28	GTUKUVMEVQECBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-093985
COc1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)ccc1O	EMOLS-id_324910085	343.281	SEUQZSRNFADYTH-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093986
n12c(=O)c(=Cc3ccc(c(OC)c3)O)sc1nc(C(F)(F)F)n2	MCULE-5080660202	343.281	SEUQZSRNFADYTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-093987
BrCCN1CCN(CC1)C(=O)c1sc2c(CCC2)c1	PC-id_80660535	343.282	LITXWUHVGQABBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-093988
O1C(Cn2c1nc([N+](=O)[O-])c2)(Cn1nc(oc1=O)c1ccccc1)C	PC-id_23081337,SCHEMBL5543717	343.294	UFVKWKLWBDOMSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-093989
Cc1ccc(o1)C(C(F)(F)F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319676719	343.304	AQOJPAUULYDQOE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-093990
COc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nn1C	MCULE-4997078220,EMOLS-id_316297382,ZINC22_1615589260	343.304	APNWRGRZTQMXQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093991
O=C(N(Cc1nnc(o1)C)C)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_317047312,MCULE-6698309801	343.304	YRIIBPSFNCGXRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093992
O=C(NC(c1nocn1)(C)C)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_318966953	343.304	BEBOETCQMHPLPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-093993
Brc1cc(sc1)C(NCC)c1sc2CCCc2n1	PC-id_61347775	343.306	HWRVFZJCAWYHTE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093994
Brc1sc(C(NCC)c2sc3CCCc3n2)cc1	PC-id_61345234	343.306	IIPRMRDCPHMDBG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093995
CCNC(c1sccc1Br)c1sc2c(n1)CCC2	PC-id_113298191	343.306	FCHWJFJFQBGTDM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093996
CNC(c1sc(c(c1)Br)C)c1sc2c(n1)CCC2	PC-id_102842885	343.306	JRKNWWIVQIDYBG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-093997
NNC(c1sc2c(c1)CCC2)Cc1ccc(s1)Br	PC-id_105295700	343.306	UIGSFLLAFRBTST-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093998
NNC(c1sc2c(c1)CCC2)Cc1scc(c1)Br	PC-id_105299277	343.306	BNPKGFCIHXBUPK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-093999
NNC(c1sc2c(c1)CCC2)Cc1sccc1Br	PC-id_105299514	343.306	OSVFUUXSDGUPAB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-094000
S(=O)(=O)(On1c(O)c2C(CC(c2c1O)CC)CC)C(F)(F)F	PC-id_54035957	343.319	LIYJGNBMFUNJJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094001
O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1nc2c(s1)CCC2	ZINC22_25769165,MCULE-3119532755,EMOLS-id_31870109,PC-id_33040868,CoCoCo_4543908	343.324	YOTBVJLFFRKEMS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094002
s1c2CCCc2nc1NC(=O)c1ccc(OCC(F)(F)F)nc1	PC-id_51321078	343.324	DZEZFJGFARNXMJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094003
CC(C1CCSCC1)n1nc2CCC(C)c2c1CBr	MCULE-3257890253,EMOLS-id_331015347	343.326	WFZOPTQDCAFQDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094004
c1(C(=O)Nc2cc(ccc2C(=O)OC)C(=O)OC)c2CCCc2[nH]n1	MCULE-4937040157,PC-id_110678737,EMOLS-id_180404719	343.334	BBSXZNIRCSFDSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094005
c1(C(=O)Nc2cc(cc(C(=O)OC)c2)C(=O)OC)c2CCCc2[nH]n1	MCULE-2915303876,EMOLS-id_335105128	343.334	PVHDRTHEWATXMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094006
O(C(=O)c1c2n(CCC2)c(c1N)C(=O)c1cc([N+](=O)[O-])ccc1)CC	PC-id_24152096	343.334	BKRMCUIFDRKJGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094007
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(=O)OCC)C	EMOLS-id_17109082,STOCK6S-52918,MCULE-7814861486,PC-id_135635994	343.337	DEFZXOXHOUWVJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094008
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc1	PC-id_135904067,ZINC22_13727367	343.337	DEFZXOXHOUWVJD-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094009
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc1	ZINC22_13727370,PC-id_135904068	343.337	DEFZXOXHOUWVJD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094010
O1C(CN2CCN(C2=O)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5538036,PC-id_23081287	343.337	UAGLABGEIGYUNE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094011
O=CC(=O)C1C(Cn2c1ccc2C(=O)N)NC1(CC1)c1nnc(o1)C	PC-id_141757327	343.337	CBURGVQUDXUUOT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-094012
Fc1ccc(c(c1)C(F)(F)F)CNC(=O)c1sc2c(c1)CCC2	PC-id_112831135	343.339	BSVZFHUVRPHLGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094013
OC[C@]12C[C@H]1CCCN2C(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_319329130	343.344	IINJKBQJGZUENC-MEBBXXQBSA-N	00100010100010000001010010000000000000000000000000000000	25-01-094014
CSc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324908552	343.347	FEUVKIWATQJBHJ-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094015
n12c(=O)c(=Cc3ccc(SC)cc3)sc1nc(C(F)(F)F)n2	MCULE-5774401821	343.347	FEUVKIWATQJBHJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094016
CCOC(=O)c1c(NC(=O)[C@H](O)[C@@H](O)C(=O)O)sc2CCCc12	MCULE-2427779961,EMOLS-id_327929355	343.352	JVMCXLZCDIKESC-NXEZZACHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094017
Fc1ccc(cc1)[C@H]1CN(C[C@@H]1C(=O)O)C(=O)c1n[nH]c2c1CCC2	AEM-11723395,MCULE-7429410327	343.352	RMSUNJQXXBBVDU-KGLIPLIRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094018
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1ccncc1F	MCULE-9649193990,EMOLS-id_207863176	343.356	DRCQLHNBHAUIPL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094019
C#CCOc1cc(F)ccc1NC(=O)NCCc1nnc2n1CCC2	EMOLS-id_48254421,MCULE-9880822037,PC-id_75378305,ZINC22_86299702	343.356	DRBKDCFSKKTOOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094020
Cn1nc(c2c1CN(C2)C(=O)c1ncccc1F)C(=O)N1CCCC1	MCULE-3845673920,EMOLS-id_207863213	343.356	MEWWZOZEYDHGTB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094021
Fc1cccc(c1)CN1CCN(CC1=O)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318969626	343.356	VSYFFTWZDWYTFT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094022
Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318789768	343.356	DLXDGGNUPGIXRT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094023
O=C1NCCN1c1ccc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_319584243	343.356	IXBWSDUWFASTCP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094024
O=C(C1NCc2c1c[nH]n2)NC1CCCN(C1=O)c1ccccc1F	EMOLS-id_318992496	343.356	AIERFSDBTZHQMD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094025
C1c2c(onc2CS1)NC(=O)c1cc(no1)OCc1ccccc1	PC-id_90574307	343.357	GDUHRHXBBREOMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094026
c1(C#N)c2CCCc2sc1N=Cc1cc(cc(OC)c1O)N(=O)=O	MCULE-7178421441	343.357	FZLFHDYIPUJKSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094027
c1(NC(=O)COc2ccccc2N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_4022256,ZINC22_92264,TIMTEC389893,SPECS-id_AN-153/I203053,ChEMBL-DNDi_CHEMBL3772-0402,PC-id_706253,MCULE-3893652104,CoCoCo_1754883	343.357	PURHFQAJMLZTHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094028
COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1sc2CCCc2c1C#N	MCULE-9494475557,EMOLS-id_328062618,PC-id_924848	343.357	CFSNFUAHCAVJPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094029
COc1cc(cc(c1O)/C=Nc1sc2c(c1C#N)CCC2)[N+](=O)[O-]	CoCoCo_6709096	343.357	FZLFHDYIPUJKSR-LSCVHKIXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094030
COc1cc(cc(/C=N/c2sc3CCCc3c2C#N)c1O)[N+](=O)[O-]	EMOLS-id_2757045,CoCoCo_6709095,PC-id_135647057,ZINC22_4150737,TIMTEC161186	343.357	FZLFHDYIPUJKSR-QGMBQPNBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094031
O=N(=O)c1ccc(OCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	ChEMBL-DNDi_CHEMBL8012-1615,EMOLS-id_322614880,MCULE-8310968651,PC-id_601056	343.357	ABYHQQPEBDRCBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094032
s1c2CCCc2c(c1N/C=C
/C=C([N+](=O)[O-])C=C(OC)C1=O)C#N	PC-id_25250889	343.357	LFPOSSOTVWJWHA-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-094033
s1c2CCCc2c(c1N/C=C/1C=C([N+](=O)[O-])C=C(OC)C1=O)C#N	PC-id_5904523	343.357	LFPOSSOTVWJWHA-CMDGGOBGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-094034
s1c2CCCc2c(c1NC=C1C=C([N+](=O)[O-])C=C(OC)C1=O)C#N	PC-id_6801893	343.357	LFPOSSOTVWJWHA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-094035
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc[n+]([O-])cc1)C#N	PC-id_8791969	343.357	DMJVIXNLPPSDQN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094036
s1c2CCCc2c(c1NC(=O)COC(=O)c1[n+]([O-])cccc1)C#N	PC-id_7774387	343.357	SHLPGBMQQJUSEE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094037
c12CN(Cc1nn(CCC)c2C(=O)OC)C(=O)OCc1ccccc1	EMOLS-id_324344685,MCULE-6789580825	343.377	UVMQVHFPSNQNSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094038
c12CN(Cc1nn(CC(C)C)c2C(=O)O)C(=O)OCc1ccccc1	EMOLS-id_324345705,MCULE-7393386885	343.377	DPLYVAIJZHMMRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094039
c1(C(=O)Nc2ccc(cc2)C(=O)OCCOC)c2CCCc2n(C)n1	PC-id_84467386,MCULE-8601882917,EMOLS-id_320479755	343.377	IDCKTTCTEQAMBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094040
c1(C(=O)Nc2cccc(c2)C(=O)OCCOCC)c2CCCc2[nH]n1	EMOLS-id_335095933,MCULE-6074636992	343.377	PHIKOKDLFFTTIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094041
c1(C(=O)Nc2ccc(cc2)C(=O)OCCOCC)c2CCCc2[nH]n1	EMOLS-id_335134310,MCULE-5217674059	343.377	YMNOQMNGNHDQOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094042
c1(C(=O)Nc2ccccc2C(=O)OCCOCC)c2CCCc2[nH]n1	MCULE-3628813827,EMOLS-id_335147618	343.377	SOBSJJKPTNQADR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094043
Cc1ccc(c(c1)OC1CCOC1)CNC(=O)c1cc2n(n1)CCO2	MCULE-3365153680,EMOLS-id_320361252,PC-id_139003481	343.377	UXRPBBKJYRMATB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094044
Cc1ccc(CNC(=O)c2cc3n(n2)CCO3)c(O[C@H]2CCOC2)c1	ZINC22_290597212	343.377	UXRPBBKJYRMATB-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094045
Cc1ccc(CNC(=O)c2cc3n(n2)CCO3)c(O[C@@H]2CCOC2)c1	ZINC22_290597214	343.377	UXRPBBKJYRMATB-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094046
CCCCn1cc2C(N(Cc2n1)C(=O)OCc1ccccc1)C(=O)O	MCULE-2502942048,EMOLS-id_259640422	343.377	MFTCTLFFIJGASU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094047
CC(C)(C)n1cc2C(N(Cc2n1)C(=O)OCc1ccccc1)C(=O)O	MCULE-3636747503,EMOLS-id_259640415	343.377	RAAMIRKSBJWAKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094048
CCC(=O)C1CC(c2n1nc(n2)C(=O)OCC)OCc1ccccc1	SCHEMBL20645856,PC-id_137412452	343.377	KSEQSCHDEZMDTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094049
O(C(C)(C)C)C(=O)N1Cc2c(nn(c2)Cc2cc(ccc2)C(=O)O)C1	PC-id_84751049	343.377	FRQWECHOCLJEHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094050
O(C(C)(C)C)C(=O)N1Cc2c(nn(c2)Cc2ccc(cc2)C(=O)O)C1	PC-id_84751050	343.377	ZTCUVIRPHVHALC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094051
O(C(=O)N1Cc2n(ncc2C1)Cc1cc(ccc1)C(=O)O)C(C)(C)C	PC-id_84751052	343.377	UUSSRXRSLOXIIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094052
O(C(=O)N1Cc2n(ncc2C1)Cc1ccc(cc1)C(=O)O)C(C)(C)C	PC-id_84751053	343.377	GWEPSIUDXORSRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094053
s1c2CCCc2cc1C(=O)NN=Cc1ccc(OCC(=O)[O-])cc1	PC-id_85015419	343.377	UKNNOABMHKYTCB-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-094054
s1c2CCCc2cc1C(=O)NN=Cc1c(OCC(=O)[O-])cccc1	PC-id_85015543	343.377	NPJUTQYFZCAYIF-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-094055
s1c2c(CCC2)c(c1NC(=O)C(=O)NCc1ccccc1)C(=O)[O-]	PC-id_8034464	343.377	MMMDWCKAMOEDHD-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-094056
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1snnc1C	EMOLS-id_36569369,PC-id_56740645,ZINC22_67541784,MCULE-3944001685	343.379	YKVSSJHPKZVODY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094057
c1(C(=O)Nc2nnc(Cc3ccc(cc3)F)s2)c2CCCc2[nH]n1	MCULE-2406064507,EMOLS-id_323257264	343.379	BBCRSXFIAIRSBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094058
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(Nc2nccs2)cc1F	ZINC22_2325786864	343.379	OSGZAEKQUQHIQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094059
O=C(N[C@@H](c1ccc(F)cc1)c1nn[nH]n1)C1Cc2cscc2C1	ZINC22_2325808051	343.379	ZAIMVLKSBALYLF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094060
O=C(N[C@H](c1ccc(F)cc1)c1nn[nH]n1)C1Cc2cscc2C1	ZINC22_2325808052	343.379	ZAIMVLKSBALYLF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094061
s1c2CCCc2nc1NC(=O)c1nn(c(n1)C)c1ccc(F)cc1	PC-id_51248290	343.379	HXZLUZRCNACCHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094062
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1ccnn1CC(=O)O	EMOLS-id_82735183,PC-id_119071735,MCULE-1074781328	343.38	BRUHWVFCKXUZFH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094063
c1(C(=O)N2CCC(CC2)(C(=O)O)n2ccnc2C)c2CCCc2[nH]n1	MCULE-4860516401,EMOLS-id_43113641,ZINC22_72426586,PC-id_70737268	343.38	MRAKJPZDFSUJSD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094064
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(nc2)C)n1	MCULE-1805406664	343.38	YNKZBTXBSSEMNY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094065
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(nc2)C)n1	MCULE-7446697394,EMOLS-id_316330301	343.38	YNKZBTXBSSEMNY-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094066
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccnc(C)c2)n1	MCULE-3597544732,EMOLS-id_316330303	343.38	YWLJWTJZDKKANN-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094067
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cncc(C)c2)n1	MCULE-1014984975,EMOLS-id_316334900	343.38	GTJUENWYKOBSJT-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094068
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3ccncc3)C2)n1	EMOLS-id_316337971,MCULE-4064320724	343.38	NSGIXIRMNMULRR-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094069
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccc(nc1)C	MCULE-8621589444,EMOLS-id_316322103	343.38	LPOQNRPZLKMXLL-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094070
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1cccnc1C	MCULE-9404083242,EMOLS-id_316255221	343.38	ZLYDVGOFNZYQHF-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094071
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccnc(C)c1	EMOLS-id_316323635,MCULE-1617439210	343.38	VCMOZPSFPSHUEB-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094072
CC(C)c1ocnc1C(=O)N[C@@H]1C[C@H]1NC(=O)c1cn2c(n1)CCC2	ZINC22_2325870379	343.38	VLNZHBUQCNPRDR-GHMZBOCLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-094073
CC(C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2	PC-id_95616132,ZINC22_71886327	343.38	UYHCADWNFCYORL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094074
CC(C)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2	PC-id_95616133,ZINC22_71886328	343.38	UYHCADWNFCYORL-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094075
CCCOC(=O)c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_48020422,PC-id_51081944,EMOLS-id_31975164,MCULE-2075651827	343.38	OIKLGCPGMQRBDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094076
C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nnc2n1CCC2	PC-id_97089720,ZINC22_89913795	343.38	IXSRGEAGVYHVEL-NWDGAFQWSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094077
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nnc2n1CCC2	PC-id_97089722,ZINC22_89913797	343.38	IXSRGEAGVYHVEL-RYUDHWBXSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094078
C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nnc2n1CCC2	ZINC22_89913796,PC-id_97089721	343.38	IXSRGEAGVYHVEL-VXGBXAGGSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094079
C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nnc2n1CCC2	ZINC22_89913798,PC-id_97089723	343.38	IXSRGEAGVYHVEL-NEPJUHHUSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094080
CCOC(=O)c1cn[nH]c1C1CCN(C1)C(=O)c1cnc2n1CCC2	EMOLS-id_316523231	343.38	GWDLBKWDHNILTR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094081
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C)NC(=O)c1ccccn1	SCHEMBL13180958,PC-id_70850542	343.38	WAJMYWIYVQYGTG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094082
Cn1nc(CN(Cc2ccco2)C(=O)N2CCNC2=O)c2CCCc12	MCULE-6675681188,EMOLS-id_50145270,PC-id_86266549	343.38	MACVETKMYRJWOY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094083
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCCN1C(=O)c1ccco1	PC-id_56798130,ZINC22_71846613,EMOLS-id_37007577,MCULE-1966436938	343.38	GGDWCAKGYBTHCL-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094084
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	PC-id_95158157,ZINC22_65608362	343.38	FWLVZFDIXPAHKK-GFCCVEGCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094085
CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	PC-id_95158158,ZINC22_65608364	343.38	FWLVZFDIXPAHKK-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094086
CN(CC(=O)N1Cc2c(C1)nc(o2)C(=O)N(Cc1ccccn1)C)C	PC-id_97525789	343.38	JVOPGRTYSWVNQB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094087
COc1ncccc1CN1Cc2c(C1)[nH]nc2C(=O)N1CCOCC1	PC-id_97411485	343.38	SJXLIUVTMFXZHQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094088
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1ccc(nc1)C	MCULE-5816784975	343.38	LPOQNRPZLKMXLL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094089
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1ccnc(c1)C	MCULE-7817532181	343.38	VCMOZPSFPSHUEB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094090
COC(=O)c1c(NC(=O)N(C(c2ccccn2)C)C)nc2n1CCC2	EMOLS-id_319497103	343.38	LBSOUNQUHWHTAH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094091
COC(=O)c1c(NC(=O)N(Cc2ccc(cn2)C)C)nc2n1CCC2	EMOLS-id_319723870	343.38	UIHOGNHOHPSPNK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094092
COC(=O)c1c(NC(=O)N(C(c2cccnc2)C)C)nc2n1CCC2	EMOLS-id_319769433	343.38	FPQOGOFLELKQTB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094093
COC(=O)c1c(NC(=O)NCc2ncc(cc2C)C)nc2n1CCC2	EMOLS-id_319791307	343.38	JTRBLPBUMKJXAE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094094
Oc1cc(CC2COCCN(C2)C(=O)c2n[nH]c3CCCc23)ncn1	EMOLS-id_43267673,BDE-33348893,PC-id_136793074,MCULE-7070450166	343.38	BUBUAXNRSSZBGN-UHFFFAOYSA-N	00000010100000100101000010000000000000000000000000000000	25-01-094095
O=C1CCCN1Cc1nn(c2c1CN(C2)C(=O)c1ccno1)C(C)C	PC-id_97519237	343.38	OOGHAXSPGKXHAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094096
O=C1N(CC(C1)C(=O)NC(c1n2CCCc2nn1)C)Cc1occc1	MCULE-9611237682,PC-id_71896183,EMOLS-id_45751114	343.38	IXSRGEAGVYHVEL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094097
O=C1N(CC(C1)C(=O)N(Cc1n2CCCc2nn1)C)Cc1occc1	PC-id_53519100,EMOLS-id_35706502,MCULE-7096191456	343.38	FWLVZFDIXPAHKK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094098
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H](Cc2cc(O)ncn2)C1	ZINC22_257210319,PC-id_137169741	343.38	BUBUAXNRSSZBGN-LLVKDONJSA-N	00000010100000100101000010000000000000000000000000000000	25-01-094099
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H](Cc2cc(O)ncn2)C1	ZINC22_257210320,PC-id_137169742	343.38	BUBUAXNRSSZBGN-NSHDSACASA-N	00000010100000100101000010000000000000000000000000000000	25-01-094100
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccccc1OC1CCOC1	EMOLS-id_319025706	343.38	DXQYMPMKLXFKSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094101
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)OC1CCOC1	EMOLS-id_319071935	343.38	MBNJLJGTRVGUCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094102
O=C(N(Cc1n2CCCc2nn1)C)C1N(CCC1)C(=O)c1occc1	PC-id_76402392	343.38	GGDWCAKGYBTHCL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094103
O=C(NC(c1n2CCCc2nn1)C(C)C)Cc1ccc([N+](=O)[O-])cc1	MCULE-9271902510,EMOLS-id_36962951,PC-id_56783389	343.38	UYHCADWNFCYORL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094104
O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_426641421	343.38	BRUHWVFCKXUZFH-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094105
O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_426641423	343.38	BRUHWVFCKXUZFH-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-094106
Cc1c(C(=O)/C=C/c2ccc(n3cncn3)cc2)c(C#N)c2n1CCC2	PC-id_53565197,ZINC22_71186331	343.382	RQORQQCETQXNLI-RMKNXTFCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094107
N#Cc1c2CCCn2c(c1C(=O)C=Cc1ccc(cc1)n1cncn1)C	EMOLS-id_36357206,PC-id_72043600,MCULE-2903236295	343.382	RQORQQCETQXNLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094108
N#Cc1c2CCCn2c(c1C(=O)/C=Cc1ccc(cc1)n1cncn1)C	PC-id_97525699	343.382	RQORQQCETQXNLI-TWGQIWQCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094109
N#Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68440657,SCHEMBL2918558	343.382	BQFSGXXNRIRCMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094110
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2914993,PC-id_68439430	343.382	HYMWVAHMMJQVNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094111
N#Cc1ccc(Nc2cccc(C(=O)N=c3cc4n([nH]3)CCC4)c2)cc1	ZINC22_1875302165,EMOLS-id_324072269,PC-id_146100563,MCULE-8659609591	343.382	CAGUJBBZDRSBJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094112
c1(C(=O)N2CCN(CC2)c2c(C)n[nH]c(=O)n2)c2CCCc2n(C)n1	PC-id_84467185,EMOLS-id_320479754,MCULE-8526197144	343.384	WRRXRTUSRVEIGB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-094113
CC(C)NC(=O)C1CCc2nnc(n12)CNC(=O)Nc1cnccc1	PC-id_134787526	343.384	JOMHDPBLNDNWJJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094114
C[C@@H]1CC[C@@H](NC(=O)c2cnn3c2CCC3)CN1C(=O)c1cnn[nH]1	ZINC22_1018216204	343.384	FXQQMTYIQMKUQY-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094115
CCOc1ccc(nn1)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319177786	343.384	GGIMNTNJXIVABX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-094116
Cn1ccc(n1)C(=O)NCc1nnc2n1C(CC2)C(=O)NCC1CC1	PC-id_134788474	343.384	YEBPZHJXZWPGDA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-094117
O=C(NCc1nnc2n1CCC2)Nc1ccc(N2CCOCC2)nc1	PC-id_45827081,MCULE-2504638068,EMOLS-id_31976032,ZINC22_44951493	343.384	QXXXTTXUIYPOFI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094118
S1CCn2c1nc(NC(=O)c1nc(sc1)c1ccoc1)c2C#N	PC-id_72132821	343.384	BAAKKGVTHRAOPJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-094119
CCc1cc2n(c1C(=O)c1ccccc1F)CCC2C(=O)OC(C)C	SCHEMBL11605211,PC-id_20351589	343.392	BEXBBMCWTHQZAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094120
Fc1ccc(cc1)CC1(CCOCC1)NC(=O)c1occ2c1CCC2	EMOLS-id_318011608	343.392	JHMUMFQFPKUAKS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-094121
Fc1cccc(c1)CC1(CCOCC1)NC(=O)c1occ2c1CCC2	EMOLS-id_318082075	343.392	BJXZYHNLWLBCQH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-094122
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C1(CCCCO1)C	EMOLS-id_232813909,PC-id_56760289,MCULE-9660450681	343.395	QCRNTZAGKBARMJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094123
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(COc2ccc(cc2)F)C1	MCULE-7584300164,EMOLS-id_43086335,PC-id_70722135	343.395	OHZLSKJFKATYLE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094124
C1CCC(CC1)(CNC(=O)c1nn2CCOc2c1F)c1ccccc1	PC-id_91960081	343.395	XEAVNXDKBOVOOR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094125
C[C@]1(C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)CCCCO1	ZINC22_67983373	343.395	QCRNTZAGKBARMJ-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094126
C[C@@]1(C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)CCCCO1	ZINC22_67983374	343.395	QCRNTZAGKBARMJ-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-094127
CCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(c(c1)F)C(C)(C)C	PC-id_140261706	343.395	QIAMQBNONWPIDB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094128
Fc1ccc(cc1)C1(CCOCC1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_318116634	343.395	GVHKOHUKHBUJAD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094129
Fc1ccc(cc1)C1(CCOCC1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318085789	343.395	OYAHGCWCCNCJDD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094130
Fc1cccc(c1)C1(CCOCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318866750	343.395	ZAFWFDHLPHDTFC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094131
Fc1ccc(cc1)C1(CCOCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318899238	343.395	YALGMMPQJIKGRT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094132
Fc1cccc(c1)C1(CCOCC1)C(=O)NCc1n[nH]c2c1CCC2	MCULE-1843400499,EMOLS-id_320254737	343.395	ABVRQPNEPRMPGV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094133
Fc1ccc(cc1)C(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)O	PC-id_111109387	343.395	ZAWSVOGCGRRKBT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094134
Fc1ccc(cc1)CC1(CCOCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_317981884	343.395	PJXAQNSRVQQDBG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094135
Fc1cccc(c1)CC1(CCOCC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_317982140	343.395	FURSZZIBLNVHQD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094136
Fc1cccc(c1)CC1(CCOCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318098076	343.395	JJCJXGBPYHUNKP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094137
Fc1ccc(cc1)CC1(CCOCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318358320	343.395	GUZIUMLSVWCLQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094138
Fc1cccc(c1)CC1(CCOCC1)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318007709	343.395	LDFSYQCRNVLATO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094139
Fc1ccc(cc1)CC1(O)CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_318069183	343.395	NLLJRIXVBMSMFB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094140
Fc1ccc(cc1)CC1(O)CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_318003358	343.395	ANJDJEPTAQPHOG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094141
Fc1ccc(cc1)CN(C(=O)c1cnn2c1CCC2)C1CCOCC1	EMOLS-id_318178209	343.395	FGUZWXCRRLAJFK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094142
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](COc2ccc(F)cc2)C1	PC-id_95862267,ZINC22_72410137	343.395	OHZLSKJFKATYLE-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094143
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](COc2ccc(F)cc2)C1	ZINC22_72410138,PC-id_95862268	343.395	OHZLSKJFKATYLE-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094144
O=C(c1n[nH]c2c1CCC2)N1CCC(OCc2ccccc2F)CC1	ZINC22_92057831,MCULE-1118670597,EMOLS-id_316829814	343.395	JMVDACIOBZYNGG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094145
S1(=O)(=O)[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(C)(C)C	PC-id_11210083	343.395	VLPHIRNLEZDLDT-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094146
S1(=O)(=O)C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(C)(C)C	PC-id_72752085	343.395	VLPHIRNLEZDLDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094147
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)O	PC-id_828429,MCULE-8963074041	343.397	UGYVGIJEUITCSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094148
c1(NC(=O)C=Cc2cccc(OC)c2)sc2c(CCC2)c1C(=O)O	MCULE-4321640063	343.397	ZCTVWUIVZGIVCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094149
C=Cc1ccc(cc1)C(=O)c1c(cc2n1CCC2C(=O)O)S(=O)C	PC-id_53954893,SCHEMBL10929117	343.397	JGYPFCMFOGYANO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094150
C=CCS(=O)c1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	SCHEMBL10817437,PC-id_70450450	343.397	ONXIMDAPYHMQGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094151
CC(=O)c1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2	PC-id_4803050,CoCoCo_2840814,ZINC22_5308358,EMOLS-id_43696736,MCULE-3993594979	343.397	LPHXVMHXSOBUND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094152
CC(=O)c1cccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1	PC-id_7238915,CoCoCo_2840932,EMOLS-id_11990103,ZINC22_4462445,MCULE-6347159525	343.397	ASBXFXRWLQHGTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094153
CC(=O)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	EMOLS-id_45700350,ZINC22_5308749,MCULE-9303966471,PC-id_4803015	343.397	XFKRVWPFHCRTIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094154
CC(=O)Nc1ccc(C(=O)COC(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_2840822,EMOLS-id_3391177,PC-id_2561684,MCULE-9084097269,ZINC22_3441649	343.397	BXIPFTOBNLUREL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094155
COc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)O)CCC2	Chemmine_3576,EMOLS-id_25889098,ZINC22_349891,STOCK1S-80199,SPECS-id_AE-848/37236032,PC-id_828430,CoCoCo_6879582	343.397	UGYVGIJEUITCSZ-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094156
COc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)O)CCC2	CoCoCo_6879583	343.397	UGYVGIJEUITCSZ-YFHOEESVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094157
COc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)O)c1	PC-id_28860339,EMOLS-id_179129581	343.397	ZCTVWUIVZGIVCC-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094158
CSc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2OC(=O)O	PC-id_70449848,SCHEMBL10815336	343.397	YGWAXBOJYMQLPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094159
OC(=O)CCOC(=S)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_20492845,SCHEMBL11165623	343.397	LKINTGKUXMQBPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094160
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)Cc1ccccc1	PC-id_45637931	343.397	BAEDVCXNEWHELH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094161
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C(=O)C)C(=O)OC	PC-id_4570324	343.397	NWNHMXNQIFODGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094162
CC1CN(CCN1c1ccncc1F)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_318876052	343.399	DCHLKFQCKIMMNT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094163
CCN1CCN(c2ccc(C(=O)N3CCn4nccc34)cc2F)CC1	ZINC22_375565483,MCULE-6081926869,EMOLS-id_177252709	343.399	NOAUWOMNFKXLNP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094164
CCOC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)N)C	PC-id_138705432,SCHEMBL21081597	343.399	AQNBZJFOXWSGMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094165
CCOC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)N)C	SCHEMBL18616833	343.399	AQNBZJFOXWSGMK-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094166
Cn1nc(c2c1CN(C2)C(=O)c1ccncc1F)CN1CCCCC1	PC-id_97519218	343.399	ONFYCDBZOOXOCC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094167
Fc1ccccc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324829948	343.399	ONDGYUZVULOVJW-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-094168
Fc1cccc(c1)CN1CCN(CC1)C(=O)NC1CCn2c1ncc2	MCULE-8572450042,EMOLS-id_316929898	343.399	QRJHVWSICFPMPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094169
Fc1ccc(cc1)N1CCC(CC1)N(C(=O)C1NCc2c1c[nH]n2)C	MCULE-6614468623,EMOLS-id_320195813	343.399	DGEKAZYMLPJWEP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094170
Fc1ccc(cc1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101434185	343.399	JHHXHSVPAZEQMX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094171
Fc1ccc(Cc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1	EMOLS-id_324840180	343.399	MQVFGVJWDKPREN-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-094172
Fc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324833019	343.399	WXMBABOUCCNRTF-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-094173
Fc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324830974	343.399	NVZVHCUSJSAFGH-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-094174
Fc1ccc(C(NC(=O)NCCc2n3CCCc3nn2)C2CC2)cc1	EMOLS-id_45663965,MCULE-4376457714,PC-id_71922265	343.399	FIDSHLMIKHSCEF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-094175
Fc1c(CN2CC(CC2)CNC(=O)c2n[nH]c3c2CCC3)ccnc1	PC-id_56714048	343.399	BXUXPFJUWWOTTQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094176
n12nc(nc1sc(=Cc1ccccc1F)c2=O)Cc1cccs1	MCULE-2622223128	343.399	ONDGYUZVULOVJW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-094177
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)Cc1cccs1	MCULE-6123019101	343.399	WXMBABOUCCNRTF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-094178
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)Cc1cccs1	MCULE-2240074921	343.399	NVZVHCUSJSAFGH-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-094179
n12nc(nc1sc(=Cc1ccsc1)c2=O)Cc1ccc(F)cc1	MCULE-6298544366	343.399	MQVFGVJWDKPREN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-094180
O=C(c1n[nH]c2c1CCC2)NC[C@H]1CCN(C1)Cc1ccncc1F	PC-id_95207195	343.399	BXUXPFJUWWOTTQ-GFCCVEGCSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094181
O=C(c1n[nH]c2c1CCC2)NC[C@@H]1CCN(C1)Cc1ccncc1F	PC-id_95207196	343.399	BXUXPFJUWWOTTQ-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094182
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)C1CCOC1)OC(C)(C)C	PC-id_118614287,SCHEMBL17380554	343.399	GNUINTGVZKYFQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094183
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)[C@@H]1CCOC1)OC(C)(C)C	SCHEMBL18788487	343.399	GNUINTGVZKYFQU-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094184
O=C(N1CCN(CC1)c1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_101434188	343.399	OTFCEHXSEIQOGA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094185
O=C(NCC1(CC1)c1ccccc1F)NCCc1nnc2n1CCC2	PC-id_97048737	343.399	RBCCHPPSANFAND-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-094186
O=C(NCc1nnc2n1CCC2)NC1(c2ccc(F)cc2)CCCC1	EMOLS-id_36663156,MCULE-4533242370,PC-id_53603419,ZINC22_69771784	343.399	PGISYXKZMQOAAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094187
O=C(NCc1nnc2n1CCC2)NCC1(c2ccc(F)cc2)CCC1	PC-id_71934726,ZINC22_89783068,EMOLS-id_45644988,MCULE-5696331638	343.399	BDPOSPJBERNKRE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-094188
O=C(NCCc1nnc2n1CCC2)c1ccc(N2CCCC2)c(F)c1	ZINC22_71883241,MCULE-6254625923,EMOLS-id_36960975,PC-id_56782405	343.399	SBKNQTJUYVGQSU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094189
O=C(NCCc1nnc2n1CCC2)NCC1(c2cccc(F)c2)CC1	MCULE-2950767434,ZINC22_86402746,PC-id_75378356,EMOLS-id_48254547	343.399	JIBLFZQQTPOVPG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-094190
O=C(NCCc1nnc2n1CCC2)NCC1(c2ccc(F)cc2)CC1	MCULE-1720335121,PC-id_75378326,EMOLS-id_48254475,ZINC22_95409930	343.399	CEJFCACNNFUGAB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-094191
O=C(NCCc1nnc2n1CCC2)N[C@@H](c1ccc(F)cc1)C1CC1	PC-id_97048685,ZINC22_86395520	343.399	FIDSHLMIKHSCEF-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-094192
O=C(NCCc1nnc2n1CCC2)N[C@H](c1ccc(F)cc1)C1CC1	PC-id_97048686,ZINC22_86395521	343.399	FIDSHLMIKHSCEF-KRWDZBQOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-094193
O=C(N[C@H]1CCn2ccnc12)N1CCN(Cc2cccc(F)c2)CC1	ZINC22_1413832946	343.399	QRJHVWSICFPMPB-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094194
O=C(N[C@@H]1CCn2ccnc12)N1CCN(Cc2cccc(F)c2)CC1	ZINC22_1413832952	343.399	QRJHVWSICFPMPB-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094195
C1CC(N(C1)C(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1)CO	PC-id_88101349	343.4	WFBKWYFYMGTZMJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094196
c1(C(=O)Nc2sc3CCCc3c2C#N)cc(OC)c(OC)cc1N	MCULE-2796030542,EMOLS-id_327978612	343.4	UQPIOQSGWMKVRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094197
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348407,PC-id_84417643,MCULE-3935187615	343.4	OOCVZRINZMQUNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094198
c1(NC(=O)C=Cc2ccc(cc2)C(=O)OC)n(C)nc2CSCc12	MCULE-7359944758	343.4	LHQNJMOIZFVQRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094199
c1(NC(=O)CCn2c(C)cc(cc2=O)O)sc2c(CCC2)c1C#N	MCULE-3263083528,EMOLS-id_322615138	343.4	CDKGMMPKLOTGEQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094200
c1(NC(=O)Cn2cccc(OCC)c2=O)sc2c(CCC2)c1C#N	MCULE-6415116935,PC-id_84310654,EMOLS-id_180168016	343.4	KXCNBJJJJOYLDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094201
c1(NC(=O)C(=O)NCc2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_4744229,PC-id_16766218,STOCK6S-13083,CoCoCo_1095839,ZINC22_6757056,MCULE-3464102893	343.4	JTUMCAJMIIMBBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094202
CC1(CCCO1)NC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	PC-id_88101640,SCHEMBL7155472	343.4	YAPFELUCJUOWDT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094203
CC(=O)c1cccc(NC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_27924467,PC-id_35280874,CoCoCo_6400887	343.4	PYNAFCCTOHMVJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094204
CCOC(=O)c1c(NC(=O)/C=C/c2cncnc2)sc2CCCc12	EMOLS-id_328124106	343.4	NYUPBEDDRUBDII-VOTSOKGWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-094205
COc1ccc(c(c1)NC(=O)Nc1sc2c(c1C#N)CCC2)OC	PC-id_35279596,CoCoCo_6400455	343.4	JWYCIZPUVNADGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094206
COC(=O)c1ccc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc1	EMOLS-id_334562239	343.4	LHQNJMOIZFVQRY-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094207
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1cncnc1	MCULE-9883617914	343.4	NYUPBEDDRUBDII-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-094208
O=C1CCC2c3c1cccc3N(C2)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100215640	343.4	GYHSOUFNEQQPKP-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-094209
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)N[C@]1(C)CCCO1	PC-id_70006458,SCHEMBL7155469	343.4	YAPFELUCJUOWDT-YRYLYKBFSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094210
O=C(c1cc2n(n1)CCO2)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_99811971	343.4	RCOYOOWZKAFGFG-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-094211
OCC1CCCN1C(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	SCHEMBL7154011,PC-id_22976045	343.4	WFBKWYFYMGTZMJ-KPKJPENVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094212
O=C(c1ccc(=O)n(n1)C)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170335	343.4	KQDFWJWIMKCLDT-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-094213
O=C(c1sc2c(c1)N(CC2)C(=O)c1cccnc1)N1CCOCC1	PC-id_97442304	343.4	MFROTLYETBHRHI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094214
OC[C@H]1CCCN1C(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	PC-id_59043167,SCHEMBL7154013	343.4	WFBKWYFYMGTZMJ-LLVKDONJSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094215
OC[C@H]1CCCN1C(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7154008	343.4	WFBKWYFYMGTZMJ-HBZGRHIISA-N	00000010110000000000000010000000000000000000000000000000	25-01-094216
s1c2CCCc2cc1C(=O)NN=C(c1cc([N+](=O)[O-])c(cc1)C)C	PC-id_85015577	343.4	MEVLXGDCIBUHKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094217
s1c2CCCc2cc1C(=O)N/N=C(c1cc([N+](=O)[O-])c(cc1)C)/C	PC-id_9462654	343.4	MEVLXGDCIBUHKL-WQRHYEAKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094218
s1c2CCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])c(CC)cc1	PC-id_85015398	343.4	WXCYKTCFHCWJJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094219
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)C)ccc1	PC-id_26872909	343.4	MEXIZYIJVMEWDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094220
s1c2CCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccccc1	PC-id_27684682	343.4	KKRBUSYVMRXIOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094221
S1Cc2c(onc2C1)NC(=O)C1CN(C(=O)C1)c1ccc(cc1)C	PC-id_49719090	343.4	VTSVGSTWZHKAST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094222
s1c(C(=O)NCC2OCCC2)cc2c1NC(=O)C2=Cc1[nH]ccc1	PC-id_59043158	343.4	GXOUJDVAWBHYLC-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094223
CS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1	PC-id_91959800	343.402	SDRTYLWBQVQDEL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094224
Fc1ccc(cc1)N1CCN(CC1)C(=NCc1nnc2n1CCC2)N	PC-id_111039283	343.402	NDADJASNSKKTHU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094225
c1([nH]nc(c2ccc(C)s2)c1)C(=O)N1Cc2c(n(nc2)CCO)C1	MCULE-6732369326,PC-id_56747584,EMOLS-id_36586808,ZINC22_67833954	343.403	GYFCMWHACNXFIZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-094226
Cc1ccc(c2nc(C)c(C(=O)NCc3nnc4n3CCC4)s2)o1	EMOLS-id_31933434,MCULE-4039332355,ZINC22_31262898,PC-id_38473451	343.403	ZJHFVIUDABHPRR-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-094227
Cc1nc([C@@H](NC(=O)c2cc3c(s2)CCC3)c2cnn(C)c2)no1	ZINC22_585087813	343.403	UDGGJEMVUDVRBA-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094228
Cc1nc([C@H](NC(=O)c2cc3c(s2)CCC3)c2cnn(C)c2)no1	ZINC22_585087814	343.403	UDGGJEMVUDVRBA-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094229
Cc1onc(n1)C(c1cnn(c1)C)NC(=O)c1sc2c(c1)CCC2	MCULE-7423325370,EMOLS-id_177300031	343.403	UDGGJEMVUDVRBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094230
Cn1nc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)c1ccccc1	EMOLS-id_319169417	343.403	QCLQEQPTOYKRFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094231
CN(Cc1nnc2n1CCC2)C(=O)Cc1csc(c2ccco2)n1	MCULE-1136245117,EMOLS-id_31936760,PC-id_45819283,ZINC22_44934942	343.403	NPFNODDMMGGPLT-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-094232
O=C(Cc1csc(c2ccco2)n1)NCCc1nnc2n1CCC2	MCULE-3535910742,ZINC22_42502934,EMOLS-id_31935498,PC-id_51079737	343.403	OWIWJFZBFAOANN-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-094233
O=C([C@H]1CC(=O)N(C1)c1ccc(cc1)C)Nc1nnc2n1CCS2	CoCoCo_2590550,PC-id_27505414	343.403	DTDWDEVZYQJFMN-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-094234
O=C([C@@H]1CC(=O)N(C1)c1ccc(cc1)C)Nc1nnc2n1CCS2	PC-id_27505416,CoCoCo_2590551	343.403	DTDWDEVZYQJFMN-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094235
O=C(Nc1cc(c2cccs2)nn1CCO)c1n[nH]c2c1CCC2	ZINC22_263895265,EMOLS-id_172284481,PC-id_110928471,MCULE-2408794982	343.403	NENRSZKFSKFEHD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-094236
S1CCn2c(NC(=O)C3CN(C(=O)C3)c3ccc(cc3)C)nnc12	PC-id_22582989	343.403	DTDWDEVZYQJFMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094237
S1CCn2c(NC(=O)C3CN(C(=O)C3)c3c(cccc3)C)nnc12	PC-id_44007658	343.403	AKGKMXBKQHAJMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094238
S1CCn2c(NC(=O)C3CN(C(=O)C3)c3cc(ccc3)C)nnc12	PC-id_44007659	343.403	WMLUNSUCWRYPDY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094239
c1(ccnn1Cc1cccs1)NC(=O)NCc1nnc2CCCn12	PC-id_72932185,ZINC22_96166517,MCULE-2929664187,EMOLS-id_49175846	343.407	ZKFPYONPJBDCEY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094240
CCCc1cc2n(c1C(=O)c1ccc(o1)C)CCC2C(=O)OC(C)C	PC-id_20356090,SCHEMBL11664052	343.417	XFZHGHXUAZZNNK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-094241
CCOC(=O)c1cc2c([nH]1)C(=CC2)Cc1ccc(cc1)c1ccccc1	SCHEMBL1005713,PC-id_66874172	343.418	FFVWMZSAZLKIBI-UHFFFAOYSA-N	00000011100000110000100010000000000000000000000000000000	25-01-094242
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(F)c1	PC-id_4793338,MCULE-6724446244,ZINC22_6785646,EMOLS-id_3442531,CoCoCo_3580130,CoCoCo_3580131	343.418	OEWDOTHJMASTHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094243
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1	PC-id_2658850,CoCoCo_3588816,CoCoCo_3588817,ZINC22_3542004,MCULE-1053330407,EMOLS-id_13517572	343.418	BHZBCXZJVPPGIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094244
O=C(N[C@H]1CCS(=O)(=O)C1)COC(=O)c1sc2c(c1)CCC2	CoCoCo_2840808,PC-id_7291862	343.418	OPYCGIHJJLECSO-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-094245
O=C(N[C@@H]1CCS(=O)(=O)C1)COC(=O)c1sc2c(c1)CCC2	CoCoCo_2840809,PC-id_7291861	343.418	OPYCGIHJJLECSO-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094246
s1c2CCCc2c(c1NC(=O)CNC(c1ccc(F)cc1)C)C#N	PC-id_4828181	343.418	HBTFSQSDBHQSDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094247
s1c2CCCc2c(c1NC(=O)CN(Cc1c(F)cccc1)C)C#N	PC-id_4818798	343.418	ZTTMRNABWBGJBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094248
S1(=O)(=O)CC(NC(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_3381158	343.418	OPYCGIHJJLECSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094249
c12CN(Cc1cnn2CCO)C(=O)c1ccc(cc1)CCC(C)(C)O	PC-id_70705847,ZINC22_72422600,MCULE-8678573476,EMOLS-id_43057080	343.42	GZBYHNOOAKSUOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094250
c12CN(Cc1cnn2CCO)C(=O)c1cccc(CCC(C)(C)O)c1	EMOLS-id_43067425,ZINC22_72423346,MCULE-8315307516,PC-id_70711689	343.42	GCHGLPPHGDVNPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094251
c1(C(=O)Nc2ccc(c(OCCC)c2)OCCC)c2CCCc2[nH]n1	MCULE-7166279477,EMOLS-id_335124858	343.42	OEPYFZFGDJPURE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094252
c1(C(=O)NCCc2ccc(c(OCC)c2)OCC)c2CCCc2[nH]n1	EMOLS-id_335111280,MCULE-3059265864	343.42	KGEMVSNQSKHQCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094253
CCc1c(nc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C)C(=O)N	PC-id_140261693	343.42	DCRHZZUEPMASJI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094254
CN(C(=O)c1cn2c(n1)O[C@@H](C2)COc1ccc(cc1)C(C)(C)C)C	PC-id_140261672	343.42	UPFUWABIJYQMIB-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094255
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1CN	EMOLS-id_330999220,MCULE-3239946205	343.42	MOULDLFNISKFRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094256
OC(c1ccco1)CC1CCCCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_75387558,EMOLS-id_48281206,MCULE-3337424118	343.42	WVWNLJCXOIRRNM-UHFFFAOYSA-N	00000010101000000101000010000000000000000000000000000000	25-01-094257
O=C(c1n[nH]c2c1CCC2)N1CCCCC[C@@H]1C[C@H](O)c1ccco1	PC-id_97240241,ZINC22_95434212	343.42	WVWNLJCXOIRRNM-CJNGLKHVSA-N	00000010101000000101000010000000000000000000000000000000	25-01-094258
O=C(c1n[nH]c2c1CCC2)N1CCCCC[C@H]1C[C@@H](O)c1ccco1	ZINC22_95434209,PC-id_97240238	343.42	WVWNLJCXOIRRNM-XJKSGUPXSA-N	00000010101000000101000010000000000000000000000000000000	25-01-094259
O=C(c1n[nH]c2c1CCC2)N1CCCCC[C@H]1C[C@H](O)c1ccco1	ZINC22_95434210,PC-id_97240239	343.42	WVWNLJCXOIRRNM-BBRMVZONSA-N	00000010101000000101000010000000000000000000000000000000	25-01-094260
O=C(c1n[nH]c2c1CCC2)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1	ZINC22_95434211,PC-id_97240240	343.42	WVWNLJCXOIRRNM-CZUORRHYSA-N	00000010101000000101000010000000000000000000000000000000	25-01-094261
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CCOCC1	PC-id_92109505	343.42	FSKLTDLAMFEJAJ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-094262
s1c2c(CCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C#N	PC-id_3617607	343.42	GNXSJHRLGPQJHL-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-094263
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C#N	PC-id_40514777	343.42	GNXSJHRLGPQJHL-QWHCGFSZSA-M	00000010100011000000000010000000000000000000000000000000	25-01-094264
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C#N	PC-id_40514779	343.42	GNXSJHRLGPQJHL-CHWSQXEVSA-M	00000010100011000000000010000000000000000000000000000000	25-01-094265
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C#N	PC-id_40514782	343.42	GNXSJHRLGPQJHL-STQMWFEESA-M	00000010100011000000000010000000000000000000000000000000	25-01-094266
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C#N	PC-id_40514784	343.42	GNXSJHRLGPQJHL-OLZOCXBDSA-M	00000010100011000000000010000000000000000000000000000000	25-01-094267
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1onc(CC(C)C)n1	MCULE-7146943545,EMOLS-id_316236372	343.423	BDIZJWOTVPBHSE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094268
c1(C(=O)N2CCC(CC2)c2nccn2CCOC)c2CCCc2[nH]n1	EMOLS-id_48646134,ZINC22_95526920,PC-id_72925678,MCULE-9252651469	343.423	DMDAQQKTRIXPOQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094269
c1(C(=O)N(CC)CCN(C)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-2123266477,EMOLS-id_316327216	343.423	HXHJQUAFGPVGJB-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094270
c1(C(=O)NCCN(CC)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-5259963604,EMOLS-id_316329776	343.423	PSJCXZOCNRWZHZ-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094271
Cc1ccccc1O[C@H](C)CNC(=O)NCCc1nnc2n1CCC2	PC-id_97222781,ZINC22_95409970	343.423	GQHPMCOMOLFLJV-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094272
Cc1ccccc1O[C@@H](C)CNC(=O)NCCc1nnc2n1CCC2	ZINC22_95409969,PC-id_97222780	343.423	GQHPMCOMOLFLJV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094273
Cc1cccc(C)c1OCCNC(=O)N(C)Cc1nnc2n1CCC2	PC-id_53511094,ZINC22_65520161,EMOLS-id_35721764,MCULE-3769497065	343.423	ZEWJZBITDXRLHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094274
Cc1cc(C)cc(OCCN(C)C(=O)NCc2nnc3n2CCC3)c1	MCULE-6055387301,ZINC22_45388346,EMOLS-id_35718960,PC-id_53498416	343.423	ADQLJFWNRMMOHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094275
Cc1cc(NC(=O)NCCc2nnc3n2CCC3)ccc1OC(C)C	EMOLS-id_44582682,ZINC22_84093554,PC-id_71857248,MCULE-5905888913	343.423	VOIOLGDVKJFROS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094276
CCc1ccc(CN2Cc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1	EMOLS-id_44325329,PC-id_97461984,ZINC22_96187526	343.423	HRHHIZGKDVXZAU-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-094277
CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_1506420657	343.423	BDIZJWOTVPBHSE-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094278
CC(C)Cc1noc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_1506420658	343.423	BDIZJWOTVPBHSE-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094279
CC(C)[C@H](NC(=O)NCCOc1ccccc1)c1nnc2n1CCC2	PC-id_95760898,ZINC22_72271529	343.423	MNQNZDIKLWTPQC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094280
CC(C)[C@@H](NC(=O)NCCOc1ccccc1)c1nnc2n1CCC2	ZINC22_72271530,PC-id_95760899	343.423	MNQNZDIKLWTPQC-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094281
CCCCOc1ccc(c(c1)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319130369	343.423	PAVWPBIRGIVWPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094282
CC(CCOc1ccc(cc1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319624873	343.423	DORCQTIZFWUSAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094283
CC(C)n1cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2CO)cn1	EMOLS-id_72963253,ZINC22_284753117,PC-id_120965600,MCULE-5067343815	343.423	CGIKXAITEGDULL-ZFWWWQNUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094284
CC(C)n1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccno1)C2	EMOLS-id_44369888,ZINC22_96259171,PC-id_97519258	343.423	ZWMLRFXVTVEZOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094285
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1cc[nH]c1)C2	ZINC22_1565553805,EMOLS-id_313734869	343.423	JUBFBZFIXPAKCG-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-094286
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCCc1nnc2n1CCC2	PC-id_97242078,ZINC22_95437019	343.423	GOXYMQOTDSSMSQ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094287
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCCc1nnc2n1CCC2	PC-id_97242079,ZINC22_95437020	343.423	GOXYMQOTDSSMSQ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094288
C[C@H](OCCCNC(=O)NCc1nnc2n1CCC2)c1ccccc1	ZINC22_48211601,PC-id_94170425	343.423	BDTCMFYYTYKAAG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094289
C[C@@H](OCCCNC(=O)NCc1nnc2n1CCC2)c1ccccc1	ZINC22_48211602,PC-id_94170426	343.423	BDTCMFYYTYKAAG-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094290
CCn1nc(c(c1)C(=O)NCc1cnc2n1CCC2)C1CCOCC1	MCULE-2962181716,EMOLS-id_320212958	343.423	TUBRSRWASMJCLM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094291
CCn1nc(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C1CCOCC1	EMOLS-id_319911619,MCULE-8377190984	343.423	HFYMGVMOCRKRSC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094292
CCN(C(c1cccc(c1)OC)C)C(=O)NCc1nnc2n1CCC2	MCULE-1700714055,PC-id_45830975,EMOLS-id_32005100	343.423	SITAHYRYHMLEMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094293
CCN(CCNC(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)CC	MCULE-1060108531	343.423	PSJCXZOCNRWZHZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094294
CCN(C(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)CCN(C)C	MCULE-4169199219	343.423	HXHJQUAFGPVGJB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094295
CCN(C(=O)NCc1nnc2n1CCC2)[C@@H](C)c1cccc(OC)c1	PC-id_94030365,ZINC22_44967522	343.423	SITAHYRYHMLEMU-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094296
CCN(C(=O)NCc1nnc2n1CCC2)[C@H](C)c1cccc(OC)c1	ZINC22_44967524,PC-id_94030366	343.423	SITAHYRYHMLEMU-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094297
CCOC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1cnn(C)c1	ZINC22_585655624,EMOLS-id_200957221,MCULE-6030886033	343.423	MJNHBQSVRXKQOE-ZFWWWQNUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094298
CN(C1CCN(C1)C(=O)c1n(C)nc2c1CCC2)Cc1ncoc1C	EMOLS-id_320097456,MCULE-2671804683	343.423	KOTKYKKLAPRFCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094299
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2N)C	PC-id_67007631,SCHEMBL1367469	343.423	WNDXXDIPCAMBNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094300
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2N)C	PC-id_59474218,SCHEMBL1367466	343.423	WNDXXDIPCAMBNS-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094301
COc1ccc(cc1C(NC(=O)NC(c1nnc2n1CCC2)C)C)C	PC-id_71932220,MCULE-6832835195,EMOLS-id_45648312	343.423	IWQGTOPTRBRJBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094302
COc1ccc(cc1C(NC(=O)NCCc1nnc2n1CCC2)C)C	EMOLS-id_45663915,PC-id_71922290,MCULE-1230141418	343.423	DYPCXBPDPHEJOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094303
COc1ccccc1NC(=O)C[C@@H](C)NCCc1nnc2n1CCC2	PC-id_97229727,ZINC22_95419920	343.423	ZDWDXGFQCHXBLD-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094304
COc1ccccc1NC(=O)C[C@H](C)NCCc1nnc2n1CCC2	ZINC22_95419919,PC-id_97229726	343.423	ZDWDXGFQCHXBLD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094305
COc1ccccc1NC(=O)CC(NCCc1nnc2n1CCC2)C	PC-id_75382606,MCULE-6623723289,EMOLS-id_48266085	343.423	ZDWDXGFQCHXBLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094306
COc1ccc(C)cc1[C@@H](C)NC(=O)NCCc1nnc2n1CCC2	PC-id_97048558,ZINC22_86359791	343.423	DYPCXBPDPHEJOW-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094307
COc1ccc(C)cc1[C@H](C)NC(=O)NCCc1nnc2n1CCC2	ZINC22_86359794,PC-id_97048559	343.423	DYPCXBPDPHEJOW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094308
COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_97069761,ZINC22_89612026	343.423	IWQGTOPTRBRJBR-OLZOCXBDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094309
COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_97069763,ZINC22_89612028	343.423	IWQGTOPTRBRJBR-CHWSQXEVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094310
COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC22_89612027,PC-id_97069762	343.423	IWQGTOPTRBRJBR-STQMWFEESA-N	00000010100000110001000010000000000000000000000000000000	25-01-094311
COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_89612030,PC-id_97069764	343.423	IWQGTOPTRBRJBR-QWHCGFSZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094312
COc1ccc(CCCNC(=O)N(C)Cc2nnc3n2CCC3)cc1	MCULE-6023642419,EMOLS-id_316817733,ZINC22_1317906057	343.423	AKBNTDKWKQZCFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094313
COC1(CCN(CC1)C(=O)c1n(C)nc2c1CCC2)c1nccn1C	EMOLS-id_319704572	343.423	AVMJRWLHQSJUSC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094314
Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_140963654	343.423	OWIYDJXUTLWNCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094315
o1c(C2N(CCCCC2)C(=O)NCCc2n3CCCc3nn2)ccc1	EMOLS-id_49103210,MCULE-6707124057,PC-id_71972713	343.423	QDOYLGUOBMCEDK-UHFFFAOYSA-N	00000010101000000101100010000000000000000000000000000000	25-01-094316
o1c(nnc1CCC(=O)NCc1n[nH]c2c1CCC2)C1CCCCC1	CoCoCo_1544315,CoCoCo_1544314,PC-id_28785617	343.423	JPHCOBCFCKWMAI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094317
Oc1ccc(cc1)CC(N(C(=O)NCCc1nnc2n1CCC2)C)C	EMOLS-id_48284363,PC-id_75388723,MCULE-6783589555	343.423	GOXYMQOTDSSMSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094318
O(C(c1ccccc1)C)CCCNC(=O)NCc1n2CCCc2nn1	EMOLS-id_31978974,PC-id_51082158,MCULE-2876453685	343.423	BDTCMFYYTYKAAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094319
O=C(c1cccn1CCN1CCOCC1)NC1CC(n2c1ncc2)C	EMOLS-id_278892875	343.423	NOCGYEBNKNOCLB-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-094320
O=C([C@@H]1CCO[C@H]1c1ccnn1C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319422294	343.423	STYQCQAUFQGQJO-RHSMWYFYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094321
O(C(CNC(=O)NCCc1n2CCCc2nn1)C)c1c(cccc1)C	EMOLS-id_48254581,PC-id_75378372,MCULE-3021496476	343.423	GQHPMCOMOLFLJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094322
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cccc(c1)COC(C)(C)C	EMOLS-id_319669567	343.423	MOUAGMULGPKZDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094323
O=C(N1CCCCCC1c1ccco1)NC(c1nnc2n1CCC2)C	EMOLS-id_318158845	343.423	HWKVCQDAVWXUAH-UHFFFAOYSA-N	00000010101000000101100010000000000000000000000000000000	25-01-094324
O=C(NC(c1n2CCCc2nn1)C(C)C)Nc1ccc(OCC)cc1	PC-id_60276858	343.423	UYLBZYKSTJZCPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094325
O=C(NC(c1n2CCCc2nn1)C(C)C)NCc1c(OC)cccc1	PC-id_60273775	343.423	QCIDVKQLMQCLAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094326
O=C(NC(c1n2CCCc2nn1)C(C)C)NCCOc1ccccc1	MCULE-7978386595,EMOLS-id_42884805,PC-id_72138984	343.423	MNQNZDIKLWTPQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094327
O=C(NCCc1nnc2n1CCC2)N1CCCCC[C@H]1c1ccco1	ZINC22_86429398,PC-id_97048921	343.423	QDOYLGUOBMCEDK-AWEZNQCLSA-N	00000010101000000101100010000000000000000000000000000000	25-01-094328
O=C(NCCc1nnc2n1CCC2)N1CCCCC[C@@H]1c1ccco1	ZINC22_86429399,PC-id_97048922	343.423	QDOYLGUOBMCEDK-CQSZACIVSA-N	00000010101000000101100010000000000000000000000000000000	25-01-094329
O=C(NCCc1nnc2n1CCC2)N(Cc1ccco1)C1CCCC1	ZINC22_96461474,PC-id_71972710,MCULE-2018949806,EMOLS-id_49103216	343.423	PTKIYBYBSRFXIW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-094330
c1(C(=O)NCc2c3CCCc3[nH]n2)cn(nn1)CCN1CCCCC1	PC-id_42196150,EMOLS-id_29561052,ZINC22_11818859,MCULE-5555208759	343.427	WEBBEEWLSHTZFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094331
CC1(C)CCN(CC(=O)Nc2cnn(Cc3nnc4n3CCC4)c2)C1	ZINC22_2325786915	343.427	ZCRGZVCXWVTLQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094332
CC(Cn1ncc(c1C1CC1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319250240	343.427	GZQRMDXHMHHUME-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-094333
CCN(CC)c1ccc(NC(=O)N(C)Cc2nnc3n2CCC3)cn1	ZINC22_65437158,EMOLS-id_35713422,MCULE-2402530205,PC-id_53504551	343.427	LGBPFIBFJMOUKB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094334
CN1CCN(CC1)C(=O)c1nn(c2c1CN(C2)Cc1cnn(c1)C)C	PC-id_97389067	343.427	SFWLDPGBSYYKAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094335
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1cc(n(n1)C1CCCCC1)C	EMOLS-id_319753668	343.427	WUCFCSPERUXCDQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094336
Fc1ccc(cc1)C1(CCOCC1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318369859	343.438	WZAFIDMXDHTEPJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094337
c12CCCc1c(C(=O)OCC)c(NC(=O)c1ccc(CC)cc1)s2	EMOLS-id_25507370,MCULE-6257892234,PC-id_19225837	343.44	IRKNXBWEHOBXER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094338
c1(cc(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(cc1)C)C	MCULE-1510391787,EMOLS-id_328060892,PC-id_4639642	343.44	NZWXUMWUSYENBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094339
c1(N=Cc2ccccc2OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_955607,MCULE-6813640045	343.44	ZYQMPKOPFMYBES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094340
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)O	BindingDB_PC-id_2055896,PC-id_2055896,SPECS-id_AE-848/37174043,ZINC22_2483604,CoCoCo_345273,BAS-06104549,SCHEMBL7894754,STOCK1S-77957,MCULE-7059871346,EMOLS-id_1476449,TIMTEC175006,ChEMBL-DNDi_CHEMBL3342-0687,BindingDB-id_152978,CHEMBL1390450,ChEMBL-DNDi_CHEMBL1390450	343.44	GOYXMRWLLJEHAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094341
c1(NC(=O)c2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OC	MCULE-1530549416,PC-id_1406464	343.44	HTEZGCRGULFVEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094342
c1(NC(=O)c2ccc(cc2C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_953294,MCULE-2729210862,EMOLS-id_1770382,CoCoCo_5040888,ZINC22_557966	343.44	QZMNNNBIWRQMSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094343
c1(NC(=O)c2c(C)cc(cc2C)C)sc2c(CCC2)c1C(=O)OC	ZINC22_118505,CoCoCo_5840106,MCULE-6429567180,EMOLS-id_5639194,PC-id_718811	343.44	OFDHMQAHSYPBPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094344
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-2395768072,PC-id_708969,CoCoCo_860272,ZINC22_98191,EMOLS-id_1871576	343.44	XCSWZLAAVVFVNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094345
c1(NC(=O)CCc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	MCULE-4293955010,PC-id_19220492	343.44	FZQMPUXSTUIDGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094346
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_3268292,TIMTEC80549,MCULE-1107320421,PC-id_2164168,EMOLS-id_1094668,ZINC22_2740599	343.44	BNMJBPVZAUCSLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094347
c1(NC(=O)C(CC)c2ccccc2)sc2c(CCC2)c1C(=O)OC	TIMTEC284105,MCULE-4229404448,EMOLS-id_4022526,ChEMBL-DNDi_CHEMBL5702727,PC-id_2862842	343.44	LGNIQOWUVVMHMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094348
Cc1cccc(c1)CC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_52257425,MCULE-3061793391,PC-id_119242841	343.44	RMGMAAYSDCHTQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094349
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1C1CC1	MCULE-5677002256,PC-id_7238972,ZINC22_4462542,EMOLS-id_43696782	343.44	UKTWKRBQHJPMQD-UHFFFAOYSA-N	00100010110000000000100010000000000000000000000000000000	25-01-094350
CCCc1cc2n(c1C(=O)c1ccsc1)CC=C2C(=O)OC(C)C	PC-id_70628929,SCHEMBL11660740	343.44	RKZDAEKZVSSJEF-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-094351
CCCc1ccc(cc1)C(=O)c1c(SC)cc2n1CCC2C(=O)O	PC-id_13687511,SCHEMBL10812657,CHEMBL275164	343.44	JOLXDRUKYBGLTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094352
CCC(c1ccccc1)(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	PC-id_121990989,EMOLS-id_72687149,MCULE-4427419454	343.44	YRULSTDLZLJKOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094353
CC(C)c1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_6933280,PC-id_4855173,MCULE-6058393584,CoCoCo_2840969,EMOLS-id_2881040	343.44	SGYSYPGOJRXFTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094354
CC(C)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	PC-id_4855150,ZINC22_5308606,CoCoCo_2840934,EMOLS-id_2881038,MCULE-4635298208	343.44	WKPZYEQNJNJAGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094355
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccccc1	EMOLS-id_331239263	343.44	JGLOHGSLZRNSHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094356
CCCCSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11438755,PC-id_23333144	343.44	SPBVLSSIADFAPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094357
CCCCSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL11438756,PC-id_70586158	343.44	MJYHGZRXOTXVIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094358
CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)c1ccccc1	CoCoCo_684700,PC-id_1359047,ZINC22_1200848	343.44	LGNIQOWUVVMHMV-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094359
CC[C@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)c1ccccc1	ZINC22_1200846,CoCoCo_684701,PC-id_1359045	343.44	LGNIQOWUVVMHMV-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094360
C=CCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C	MCULE-4049136796,ZINC22_12763929,EMOLS-id_17163914,PC-id_24233247,CoCoCo_2840802	343.44	OYZHMCKSSOWRNI-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094361
CC(C)N(C(=O)COC(=O)c1cc2c(s1)CCC2)c1ccccc1	EMOLS-id_3381559,MCULE-4833837631,ZINC22_4581551,CoCoCo_2840929,PC-id_4782844	343.44	OLZJHGKXIHTKKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094362
CCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	PC-id_20235106,SCHEMBL10811957	343.44	FHEHPPWAQQAHNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094363
CCCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)SC	PC-id_70586073,SCHEMBL11438332	343.44	GVLKDIHSXRUOEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094364
CCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)SC	SCHEMBL11438330,PC-id_23333100	343.44	XIUQGAOVUBLCKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094365
CCCSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_23333067,SCHEMBL11444681	343.44	VYGRTHQVRXZQIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094366
CC(CSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)C	SCHEMBL11442265,PC-id_23333112	343.44	PYBPCHHMVRIZQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094367
CC(CSc1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O)C	SCHEMBL11443437,PC-id_23333073	343.44	DFIOSYQYMCMMGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094368
CC(CSc1ccccc1C(=O)c1ccc2n1CCC2C(=O)O)C	SCHEMBL11444684,PC-id_23333049	343.44	CBAJTKXTWOIOBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094369
CC(CSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O)C	PC-id_70586886,SCHEMBL11442267	343.44	XAODTIVXXIXMCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094370
CCCSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	SCHEMBL11444682,PC-id_70587433	343.44	JQEDKEVVJFUZIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094371
CCOC(=O)c1c2CCCc2sc1/N=C/c1ccccc1OCC	CoCoCo_5854820,EMOLS-id_26506650,ZINC22_561285,PC-id_9617041,SPECS-id_AN-153/I120895,TIMTEC608437,SPECS-id_AT-084/J158113	343.44	ZYQMPKOPFMYBES-UDWIEESQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094372
CCOC(=O)c1c2c(CCC2)sc1NC(=O)c1cc(C)cc(C)c1	PC-id_766961,ZINC22_244050,EMOLS-id_1778672,CoCoCo_3268297,MCULE-9751335710	343.44	XHTALALPUAJWIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094373
CCOC(=O)c1c(CC(=O)NCc2ccccc2)sc2c1CCC2	ZINC22_26895477,EMOLS-id_15765518,PC-id_34177156,CoCoCo_6062873	343.44	QWTHZEXNODTDSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094374
CCOC(=O)c1c(/N=Cc2ccccc2OCC)sc2c1CCC2	CoCoCo_5854821	343.44	ZYQMPKOPFMYBES-NDENLUEZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094375
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)C)sc2c1CCC2	PC-id_110825897	343.44	SCOLWGPTCKBSNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094376
CCOC(=O)c1c(NC(=O)c2c(C)cccc2C)sc2CCCc12	MCULE-7511016738,EMOLS-id_328140478	343.44	BEBJZSDHZWMNMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094377
CCOC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2CCCc12	PC-id_41616145,EMOLS-id_327917815,MCULE-4035005917	343.44	FSVRBDHGOVPDAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094378
CCOC(=O)c1c(NC(=O)C(C)c2ccccc2)sc2CCCc12	EMOLS-id_327912700,MCULE-8260948855	343.44	GBACYSQVQKGJEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094379
COc1cccc(c1)C1CC(CN1C(=O)c1sc2c(c1)CCC2)O	EMOLS-id_318069608	343.44	SWWDUYROJZOTNN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-094380
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)CC)SC	PC-id_14570931,SCHEMBL10816180	343.44	UTWZZWNULFAWBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094381
COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1SC(C)C	PC-id_23333138,SCHEMBL11443634	343.44	DLQGATPIPQBOKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094382
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)SC(C)C	SCHEMBL11437479,PC-id_23333085	343.44	VQWJQUITQIFJEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094383
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)SC(C)C	SCHEMBL11437481,PC-id_70585897	343.44	MZHACKRKIGCWNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094384
COC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CCC2	PC-id_105537892	343.44	MNXOTJAXXYYXCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094385
CSc1cc2n(c1C(=O)c1ccc(cc1)CC)CCC2(C)C(=O)O	PC-id_70450557,SCHEMBL10817772	343.44	BKXYZARINAZJGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094386
CSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC(C)C	SCHEMBL11438424,PC-id_23333090	343.44	XRNBGGFDBPSPDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094387
CSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC(C)C	SCHEMBL11438426,PC-id_70586095	343.44	HPFIHKCBQNHXOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094388
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)OCC1CCCO1	MCULE-2667591300,EMOLS-id_189736194	343.44	RFDQLBPQYLOCBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094389
O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2c(s1)CCC2	ZINC22_30253564	343.44	RFDQLBPQYLOCBH-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094390
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc2c(s1)CCC2	ZINC22_30253565	343.44	RFDQLBPQYLOCBH-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094391
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)SC(C)(C)C	PC-id_23333060,SCHEMBL11451847	343.44	VLMVWRGHXFXXQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094392
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)SC(C)(C)C	PC-id_23333149,SCHEMBL11437740	343.44	XPMNCRIQNWRTEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094393
OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)SC(C)(C)C	SCHEMBL11437741,PC-id_70585954	343.44	GRCCXZCDKLPEOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094394
OC(=O)CC1CCc2c1sc(c2C(=O)c1ccc(cc1)N(C)C)C	SCHEMBL10743296,PC-id_20213662	343.44	KHEUGGQYDIPYBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094395
OC(=O)CCCN(C(=O)c1sc2c(c1)CCC2)Cc1ccccc1	EMOLS-id_53708075,PC-id_120246489,MCULE-9320491941	343.44	FMIKLDJQJSZEPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094396
OC(=O)CCC(NC(=O)c1sc2c(c1)CCC2)Cc1ccccc1	MCULE-6120972534,PC-id_120546782	343.44	PHDCLGQLCLNVAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094397
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cc(cc1C)C)C	PC-id_7623868	343.44	SYQYDJXYJUGOFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094398
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(ccc(c1)C)C)C	PC-id_78674780	343.44	JRRJIHZLRCVXOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094399
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(cc(cc1)C)C)C	PC-id_78674810	343.44	RQOYAXFLONMTOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094400
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1C)C)C	PC-id_78674861	343.44	RXMNFWPDSJPDFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094401
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(CC)cc1)C	PC-id_16505585	343.44	JRWDQMQKTWWIRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094402
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(CC)cccc1C	PC-id_7623694	343.44	MYISIYWXTZXPJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094403
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1c(cccc1)C)C	PC-id_18085077	343.44	SRAPYIDTYPHJNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094404
s1c2CCCc2cc1C(=O)OC(C(=O)N(Cc1ccccc1)C)C	PC-id_45637935	343.44	VQRDJHKAVZUNDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094405
s1c2CCCc2cc1C(=O)OC(C(=O)NC(c1ccccc1)C)C	PC-id_45637946	343.44	XLGVCBBCEDOIKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094406
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1ccc(cc1)C)C	PC-id_7238940	343.44	YMXZVXDCYHLUSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094407
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1c(cccc1)C)C	PC-id_7291963	343.44	FBVJBKRUUSAZIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094408
s1c2CCCc2cc1C(=O)OC(C(=O)NCc1ccc(cc1)C)C	PC-id_78674876	343.44	XKPQYAKUKPGIDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094409
s1c2CCCc2cc1C(=O)OCC(=O)NCC(c1ccccc1)C	PC-id_16505606	343.44	ARCRZZYDMZTCRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094410
s1c2CCCc2cc1C(=O)OC(C(=O)NCCc1ccccc1)C	PC-id_45770050	343.44	NENPWIFWDCCFPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094411
s1c2CCCc2cc1C(=O)OC(C(=O)N(CC)c1ccccc1)C	PC-id_78514071	343.44	KBMJLZOSKAJXIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094412
s1c2CCCc2cc1C(=O)OCC(=O)NCCCc1ccccc1	PC-id_45637970	343.44	BPTSOYTYQDELGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094413
s1c2CCCc2cc1C(=O)OCC(=O)NC[C@@H](c1ccccc1)C	PC-id_7623647	343.44	ARCRZZYDMZTCRF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094414
s1c2CCCc2cc1C(=O)OCC(=O)NC[C@H](c1ccccc1)C	PC-id_7623649	343.44	ARCRZZYDMZTCRF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094415
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(ccc(c1)C)C)C	PC-id_8359015	343.44	JRRJIHZLRCVXOI-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094416
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(ccc(c1)C)C)C	PC-id_8359023	343.44	JRRJIHZLRCVXOI-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094417
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cc(cc1)C)C)C	PC-id_8359083	343.44	RQOYAXFLONMTOZ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094418
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cc(cc1)C)C)C	PC-id_8359084	343.44	RQOYAXFLONMTOZ-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094419
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1C)C)C	PC-id_8359292	343.44	RXMNFWPDSJPDFE-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094420
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1C)C)C	PC-id_8359300	343.44	RXMNFWPDSJPDFE-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094421
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(CC)cc1)C	PC-id_7238709	343.44	JRWDQMQKTWWIRT-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094422
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(CC)cc1)C	PC-id_7238710	343.44	JRWDQMQKTWWIRT-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094423
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N(Cc1ccccc1)C)C	PC-id_7238823	343.44	VQRDJHKAVZUNDJ-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094424
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N(Cc1ccccc1)C)C	PC-id_7238824	343.44	VQRDJHKAVZUNDJ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094425
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCc1ccc(cc1)C)C	PC-id_8359339	343.44	XKPQYAKUKPGIDY-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094426
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCc1ccc(cc1)C)C	PC-id_8359347	343.44	XKPQYAKUKPGIDY-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094427
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N(CC)c1ccccc1)C	PC-id_7623766	343.44	KBMJLZOSKAJXIO-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094428
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N(CC)c1ccccc1)C	PC-id_7623767	343.44	KBMJLZOSKAJXIO-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094429
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCCc1ccccc1)C	PC-id_8359089	343.44	NENPWIFWDCCFPG-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094430
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCCc1ccccc1)C	PC-id_8359090	343.44	NENPWIFWDCCFPG-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094431
s1c2c(CCC2)c(c1N=Cc1ccc(OCC)cc1)C(=O)OCC	PC-id_23967765	343.44	HCIKNCSKMFAWKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094432
s1c2c(CCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)OCCC	PC-id_23963404	343.44	IRKYQWMYHGOJKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094433
s1c2c(CCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)OC	PC-id_41618471	343.44	HWZGGHQAACIWBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094434
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)OC	PC-id_41618731	343.44	HTNDEFZPXISVHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094435
s1c2c(CCC2)c(c1NC(=O)Cc1cc(c(cc1)C)C)C(=O)OC	PC-id_41619654	343.44	KHYLXFQAJOGEFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094436
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1)C)C)C(=O)OC	PC-id_7596944	343.44	ZIGOFRLPEBOQEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094437
s1c2c(CCC2)c(c1NC(=O)Cc1c(cccc1)C)C(=O)OCC	PC-id_26163270	343.44	VIFWIFZMKSAIAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094438
CCn1c2CN(Cc2nc1S(=O)(=O)C(C)C)C(=O)OC(C)(C)C	SCHEMBL17380319,PC-id_118614054	343.442	HZSXPLFLJTWNHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094439
CCS(=O)(=O)c1nc2c(n1C(C)C)CN(C2)C(=O)OC(C)(C)C	PC-id_118614097,SCHEMBL17380362	343.442	OPNOIXDPYBYVMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094440
CN1CCN(CC1)c1ccc(cc1C(NC1CCn2c1ncc2)C)F	EMOLS-id_318364470,MCULE-4741752748	343.442	AROPEHXQYXMNEL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094441
COC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCC2	ZINC22_408621205	343.442	OQFHKICZVNCTIW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-094442
s1c2c(CCC2)cc1CNS(=O)(=O)c1cc(sc1)C(=O)O	PC-id_63617985	343.442	ZYDAWWKEAJVKPX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-094443
s1c2c(CCC2)cc1CNS(=O)(=O)c1c(scc1)C(=O)O	PC-id_61206682	343.442	APJKKMIPYFIKGF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-094444
s1c2c(CCC2)cc1CNS(=O)(=O)c1sc(cc1)C(=O)O	PC-id_61207781	343.442	ANDZQKARWMCHEJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-094445
s1c2c(CCC2)cc1CNS(=O)(=O)c1scc(c1)C(=O)O	PC-id_61208166	343.442	ARLTVDAGTGDKRX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-094446
s1c2c(CCC2)c(c1NS(=O)(=O)c1sc(cc1)C)C(=O)O	PC-id_43328056	343.442	PPSVKCKOJYQZHK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-094447
c1(NC(=O)c2ccc(cc2)N(C)C)sc2c(CCC2)c1C(=O)NC	ZINC22_5055738,MCULE-3806854450,PC-id_7475035,CoCoCo_2590292,EMOLS-id_16349163	343.443	KJORKKQOOPPPDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094448
c1(NC(=O)c2ccc(c(C)c2)N(C)C)sc2c(CCC2)c1C(=O)N	PC-id_84418975,MCULE-6005417055,EMOLS-id_181348515	343.443	KTPZOEVBLVUVQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094449
c1(NC(=O)C=Cc2ccccc2)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-9563113024,PC-id_2160298	343.443	HROMKLOXOWJCKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094450
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-6177605498,ZINC22_4857224,CoCoCo_1020568,EMOLS-id_2274430,PC-id_2989465,TIMTEC487214	343.443	UTCOYZVALVQRLH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094451
c1(sc2c(CCC2)n1)NC(=O)[C@@H](C(C)C)NC(=O)c1ccccc1	MCULE-5882122502,EMOLS-id_323454229	343.443	FUVJKNIANOWIMQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094452
Cc1cccc(c1)C1=CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100218940	343.443	IVYXDETVPCIMOL-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-094453
CC(C)Cc1nc2s/c(=Cc3cccc(OC(C)C)c3)/c(=O)n2n1	EMOLS-id_324859108	343.443	XQMPCZBPIYJPGR-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094454
CC(C(C)(C)C)NC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	PC-id_88100913,SCHEMBL7151528	343.443	PFVNTZZFSGJCLR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094455
CC(C(C)(C)C)NC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7151521	343.443	PFVNTZZFSGJCLR-WQLSENKSSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094456
CC(C)(C)n1nc2c(c1NC(=O)/C=Cc1ccccc1)C[S@](=O)C2	CoCoCo_4985161,ZINC22_4105977	343.443	HROMKLOXOWJCKC-DHSLYTQISA-N	00000010100000110001000010000000000000000000000000000000	25-01-094457
CC(C)(C)n1nc2c(c1NC(=O)/C=Cc1ccccc1)C[S@@](=O)C2	CoCoCo_4985163,ZINC22_4105978	343.443	HROMKLOXOWJCKC-OPSAWKISSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094458
CC(C)(C)n1nc2CS(=O)Cc2c1NC(=O)/C=Cc1ccccc1	EMOLS-id_26442062	343.443	HROMKLOXOWJCKC-KTKRTIGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094459
CC(C)(C)NC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	MCULE-8930267412,EMOLS-id_48223301,PC-id_48850842,ZINC22_66017928	343.443	WGFYLYWFINGUBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094460
CCCOc1cccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)c1	EMOLS-id_324858084	343.443	GHPXWUVGZKAWLL-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094461
CCCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1	EMOLS-id_324851943	343.443	GXKAOCIEGQQMLP-KAMYIIQDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094462
CC(C)Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1	EMOLS-id_324852967	343.443	KYGOMSQOEBBDLI-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094463
C[C@H](C(C)(C)C)NC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	PC-id_70005245,SCHEMBL7151525	343.443	PFVNTZZFSGJCLR-ZDIKFAODSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094464
CC(n1ccc(n1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)C	EMOLS-id_101170485	343.443	IOSHKEMSABQCOL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-094465
CC(n1nccc1C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)C	EMOLS-id_101170428	343.443	MEVFQQIPPLOYGX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-094466
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)cc1	EMOLS-id_324849900	343.443	LDRLFKXFDJCSSJ-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094467
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)c1	EMOLS-id_324857056	343.443	QNYXNXUQNSDDPJ-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094468
CC(=O)NC(c1ccc(cc1)C)CC(=O)Nc1sc2c(n1)CCC2	PC-id_45803123,MCULE-5709881504,EMOLS-id_31869060	343.443	VMIRGMJGSYIXCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094469
CC(=O)N[C@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccc(C)cc1	CoCoCo_4521474,ZINC22_25769276	343.443	VMIRGMJGSYIXCH-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094470
CC(=O)N[C@@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccc(C)cc1	ZINC22_25769275,CoCoCo_4521475	343.443	VMIRGMJGSYIXCH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094471
Cn1nccc1C(=O)C1CCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC22_12337212,PC-id_92432405,ADM-14810628	343.443	CMNNKLOCUJCDCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094472
CN(C)CCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1	PC-id_97442306,ZINC22_96146779,EMOLS-id_44303532	343.443	GHBHDHXYMMWPBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094473
CN(CC(=O)N1CCc2c1cc(s2)C(=O)NCc1ccccc1)C	PC-id_97524464	343.443	RTHLWFDFIJZSRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094474
COc1cc(NCc2nc3c(s2)CCC3)ccc1N1CCCC1=O	PC-id_84594343,EMOLS-id_49129634,MCULE-2582221621,ZINC22_93063974	343.443	UTCCXQYXSZSQOT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094475
COc1c(sc2c1CCC2)C(=O)N1CCN(CC1)c1ccccn1	PC-id_91956484	343.443	DQNVOLJIZHEUMH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094476
n12c(=O)c(=Cc3ccc(cc3)OCC)sc1nc(C(CC)CC)n2	MCULE-5156422609	343.443	LDRLFKXFDJCSSJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094477
n12c(=O)c(=Cc3cccc(OCC)c3)sc1nc(C(CC)CC)n2	MCULE-8738470197	343.443	QNYXNXUQNSDDPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094478
n12c(=O)c(=Cc3cccc(OCCC)c3)sc1nc(C(C)(C)C)n2	MCULE-6275747870	343.443	GXKAOCIEGQQMLP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094479
n12c(=O)c(=Cc3cccc(OC(C)C)c3)sc1nc(C(C)(C)C)n2	MCULE-8949295911	343.443	KYGOMSQOEBBDLI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094480
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CC(C)C	MCULE-6431544682	343.443	GHPXWUVGZKAWLL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094481
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CC(C)C	MCULE-7516021527	343.443	XQMPCZBPIYJPGR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094482
Oc1ccnc(n1)[C@@H]1CC[C@H](CC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_319588491	343.443	HTVDDECKMFHBAO-AULYBMBSSA-N	00000010100010100001100010000000000000000000000000000000	25-01-094483
O(c1c(OC)cc(C[NH2+]Cc2n3CCCc3nn2)cc1)CC=C(C)C	PC-id_52385756	343.443	XEYIVFNXOQOIOG-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-094484
O=C(c1ccc(cc1)NCc1sc2c(n1)CCC2)N1CCOCC1	MCULE-7689757162,EMOLS-id_317983778	343.443	MKYCQHHOXSQVCU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094485
O=C(c1c(sc2c1CCC2)NC(=O)c1c(C)nn(c1C)C)C1CC1	EMOLS-id_99812004	343.443	LKWOBIHAQBPVEZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-094486
O=C(NCc1ccc(N2CCOCC2)nc1)c1cc2c(s1)CCC2	ZINC22_10718735,EMOLS-id_35690482,PC-id_41628339,MCULE-3180241424	343.443	IHEZGAXWEHPGGE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094487
O=C(NCc1cccnc1N1CCOCC1)c1cc2c(s1)CCC2	ZINC22_30311337,MCULE-9194744404,PC-id_37489950,CoCoCo_4780353,EMOLS-id_31888194	343.443	CPXDYFZKHIWXOQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094488
O=C(NCc1ccnc(N2CCOCC2)c1)c1cc2c(s1)CCC2	EMOLS-id_31894024,PC-id_33030487,CoCoCo_4787138,ZINC22_25758806,MCULE-2610351708	343.443	WLCHKFIEVXCUMK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094489
O=C(N(Cc1n[nH]c2c1CCC2)C)C1C[NH+](CCC1)Cc1occc1	PC-id_75841153	343.443	NXPCHXSXXIQCDY-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-094490
O=C(N(Cc1n[nH]c2c1CCC2)C)[C@H]1C[NH+](CCC1)Cc1occc1	PC-id_52401981	343.443	NXPCHXSXXIQCDY-CQSZACIVSA-O	00000010101010000001000010000000000000000000000000000000	25-01-094491
O=C(N(Cc1n[nH]c2c1CCC2)C)[C@@H]1C[NH+](CCC1)Cc1occc1	PC-id_52401983	343.443	NXPCHXSXXIQCDY-AWEZNQCLSA-O	00000010101010000001000010000000000000000000000000000000	25-01-094492
O=[S@@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)/C=C/c1ccccc1	CoCoCo_4985162	343.443	HROMKLOXOWJCKC-GTCGAKFVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094493
O=[S@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)/C=C/c1ccccc1	CoCoCo_4985164	343.443	HROMKLOXOWJCKC-HBRDYDSTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094494
O=S(=O)(c1cnc2n1CCC2)N1CC2(c3c1cccc3)CCCC2	EMOLS-id_100237963	343.443	DEBKNLKWYKTAFB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-094495
s1c2CCCc2cc1C(=O)NNC(=O)CNc1c(cc(cc1)C)C	PC-id_9273251	343.443	JNMKUTSJQOGTIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094496
s1c2c(CCC2)c(c1NC(=O)CNC(c1ccccc1)C)C(=O)N	PC-id_84867340	343.443	CTNCTSADDVZALE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094497
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccccc1)C)C(=O)N	PC-id_8901440	343.443	FVCNOWMKQXEBFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094498
s1c2c(CCC2)c(c1NC(=O)CN[C@H](c1ccccc1)C)C(=O)N	PC-id_8898830	343.443	CTNCTSADDVZALE-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-094499
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](c1ccccc1)C)C(=O)N	PC-id_8898834	343.443	CTNCTSADDVZALE-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094500
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCCC	PC-id_16947518	343.443	SSIUOIFEFDOZOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094501
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NC(C)C	PC-id_16947519	343.443	TVGPHMZPKVLVSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094502
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N(CC)CC	PC-id_16947013	343.443	ILYUAACCGSDDBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094503
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCC(C)C	PC-id_16947042	343.443	IUAZFQZNUIGYCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094504
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NC(CC)C	PC-id_16947043	343.443	GPZPAZSMGHZUAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094505
[S@@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C=Cc1ccccc1	PC-id_11877686	343.443	HROMKLOXOWJCKC-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-094506
[S@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C=Cc1ccccc1	PC-id_11877687	343.443	HROMKLOXOWJCKC-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094507
S(=O)(=O)(NC(CC(C)C)C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_53526240	343.445	HIAOOOHXUOIMGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094508
n12nc(nc1sc(=Cc1cccs1)c2=O)C=Cc1cccs1	MCULE-1637129470	343.446	CMJYSZBURPIXIW-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-094509
O=c1/c(=C/c2cccs2)/sc2nc(/C=C/c3cccs3)nn12	EMOLS-id_45970268,ZINC22_27021989	343.446	CMJYSZBURPIXIW-FPONQXLSSA-N	00000000100100000001000010000000000000000000000000000000	25-01-094510
c12SCCn1cc(CNC1CCN(CC1)C(=O)c1cccnc1)n2	EMOLS-id_290030172,ZINC22_952983916,MCULE-6387769093	343.447	XITBHPRUPUCALC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094511
c12SCCn1cc(CNC(=O)C1CCCN(c3ccccn3)C1)n2	MCULE-8981128565,PC-id_72881352,EMOLS-id_49157612	343.447	BICGBILKHCHKDL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094512
c12SCCn1cc(CNC(=O)N1CCCCC1c1cccnc1)n2	MCULE-2732576657,PC-id_119071210,EMOLS-id_82733783	343.447	KAXRWOZDGAJRTA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094513
Cc1cnn(C[C@H](C)NCC(=O)Nc2sc3c(c2C#N)CCC3)c1	PC-id_95291990,ZINC22_69493543	343.447	PWULHJHNDSFKOW-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094514
Cc1cnn(C[C@@H](C)NCC(=O)Nc2sc3c(c2C#N)CCC3)c1	ZINC22_69493541,PC-id_95291989	343.447	PWULHJHNDSFKOW-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094515
Cc1cnn(CCN[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1	PC-id_95607707,ZINC22_71872103	343.447	HFHNWNJDHRVPNP-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094516
Cc1cnn(CCN[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1	ZINC22_71872104,PC-id_95607708	343.447	HFHNWNJDHRVPNP-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094517
C[C@@H]([C@@H](C)NCC(=O)Nc1sc2c(c1C#N)CCC2)n1cccn1	PC-id_95613886,ZINC22_71882085	343.447	BTEXGCXFFBZURQ-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094518
C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)n1cccn1	ZINC22_71882082,PC-id_95613883	343.447	BTEXGCXFFBZURQ-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094519
C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)n1cccn1	ZINC22_71882083,PC-id_95613884	343.447	BTEXGCXFFBZURQ-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094520
C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)n1cccn1	ZINC22_71882084,PC-id_95613885	343.447	BTEXGCXFFBZURQ-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094521
n1c2CCCc2sc1CCNc1cncc(C(=O)N2CCCC2)n1	ZINC22_1704337185,PC-id_135119666,MCULE-6606764328,EMOLS-id_317332420	343.447	XWKVADZWZNTBRU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-094522
N#Cc1c(NC(=O)CNC(C(n2cccn2)C)C)sc2c1CCC2	MCULE-2748537850,EMOLS-id_36959987,PC-id_56781912	343.447	BTEXGCXFFBZURQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094523
N#Cc1c(NC(=O)C(NCCn2ncc(c2)C)C)sc2c1CCC2	EMOLS-id_36956621,PC-id_56780226,MCULE-2652835778	343.447	HFHNWNJDHRVPNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094524
N#Cc1c(NC(=O)CNC(Cn2ncc(c2)C)C)sc2c1CCC2	MCULE-5289785312,PC-id_53572131,EMOLS-id_36350262	343.447	PWULHJHNDSFKOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094525
O=C(c1cc2c(s1)n(nc2C(C)C)C)NCc1cnc2n1CCC2	EMOLS-id_319869302,MCULE-2622840564	343.447	WZRMAGLJHRYMOX-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-094526
O=C(c1ccc(nn1)N1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180249	343.447	ZINRHYXSPIHGBG-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-094527
O=C(CN1CCNCC1c1cccnc1)Nc1sc2c(n1)CCC2	PC-id_120755071	343.447	QVWDUPHCZQKZLR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094528
O=C(Nc1ccccc1CN1CCSCC1)N1CCn2ccnc12	ZINC22_585138140,EMOLS-id_177322979,MCULE-1331727499	343.447	RBSZYDBCQZKMNK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094529
O=C(Nc1sc2c(n1)CCC2)CN1CCN(CC1)c1ccccn1	EMOLS-id_97930969	343.447	LAPWSPJCHSPGLM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094530
O=C(NCc1cn2c(n1)SCC2)[C@H]1CCCN(c2ccccn2)C1	ZINC22_96148192,PC-id_97443497	343.447	BICGBILKHCHKDL-ZDUSSCGKSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094531
O=C(NCc1cn2c(n1)SCC2)[C@@H]1CCCN(c2ccccn2)C1	ZINC22_96148193,PC-id_97443498	343.447	BICGBILKHCHKDL-CYBMUJFWSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094532
O=C(NCc1cn2c(n1)SCC2)N1CCCC[C@H]1c1cccnc1	ZINC22_426622918	343.447	KAXRWOZDGAJRTA-HNNXBMFYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094533
O=C(NCc1cn2c(n1)SCC2)N1CCCC[C@@H]1c1cccnc1	ZINC22_426622919	343.447	KAXRWOZDGAJRTA-OAHLLOKOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094534
s1c2CCCc2nc1NC(=O)CCc1c(n(nc1C)CCC#N)C	PC-id_33041144	343.447	WHGPDHHGUPWBDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094535
OC(=O)C1CCn2c1ccc2C(=O)C1CCC(CC1)C1CCCCC1	PC-id_139746966	343.46	DOMMFYISLXCMPZ-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-094536
COCCN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	PC-id_95152719,ZINC22_65564347	343.462	TZRXVMPOUABFJN-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094537
COCCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_65564345,PC-id_95152718	343.462	TZRXVMPOUABFJN-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094538
COCCN(C(=O)c1sc2c(c1)CCC2)C1CCS(=O)(=O)C1	EMOLS-id_35692236,PC-id_53515115,MCULE-5433400468	343.462	TZRXVMPOUABFJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094539
CC=NC1=C(C)c2n(C1CC(C1CCC(CC1)C1(O)CC1)O)cnc2	PC-id_142610975	343.463	MWAXSUCVNRGVEA-UHFFFAOYSA-N	00100011100010000001100010000000000000000000000000000000	25-01-094540
O=C1CCC(CC1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109935	343.463	BAMJMVCWLSORLK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094541
s1c2c(c(C[NH+]3CCOCC3)c1NC(=O)c1ccccc1)CCC2	PC-id_7168085	343.463	HSZBONUUXFFUAT-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-094542
c1(c2C(=C(c3ccccc3)c3ccccc3)CCn2nn1)CCCCC	2216652_OpenMolecule,PC-id_139073769,CT-id_2216652	343.465	FNHOZNNZSVLYON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094543
CN1CCCN(CC1)C(=O)c1sc2c(c1)N(CC2)S(=O)(=O)C	PC-id_97410578	343.465	UKFXALDCTNPLPS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-094544
CS(=O)(=O)N1CCCC1C(=O)NCCc1nc2c(s1)CCC2	PC-id_91796888	343.465	VMOYINMTWHVVML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094545
CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1nc2CCCc2s1	EMOLS-id_55709102,MCULE-5504596253,ZINC22_223801560	343.465	VMOYINMTWHVVML-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-094546
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)NCCN1CCCC1	PC-id_97407203	343.465	AWDGTPJFWJROGI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094547
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)CNS(=O)(=O)N	EMOLS-id_110199345	343.465	PWPRLMOPODRJBG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-094548
O=C(N1CCCS(=O)(=O)CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003534	343.465	JFHZIAOBSLGZJZ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-094549
O=C(NC1(C)CCS(=O)(=O)C1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003849	343.465	SFFANUPSGQSXHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094550
O=C(N(C1CCS(=O)(=O)C1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999919	343.465	KLEJUXKIKVKCIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094551
O=C(Nc1sc2c(n1)C(CC2)(C)C)CCN1CCCS1(=O)=O	EMOLS-id_102180210	343.465	OIWXVWKUDUPDSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094552
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCCS(=O)(=O)C1	EMOLS-id_102003585	343.465	LAHWIZGSWYNKHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094553
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCS(=O)(=O)CC1	EMOLS-id_102003729	343.465	PMFQQVJBUJDSQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094554
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCCS1(=O)=O	EMOLS-id_102005508	343.465	SKPGWVLONXVGLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094555
c1(NC(=O)CC(c2ccsc2)n2cccc2)sc2c(CCC2)n1	EMOLS-id_104693957,MCULE-8250994443,SPECS-id_AO-022/43514358,STOCK7S-63787	343.466	XSPCYLAASOMSFX-UHFFFAOYSA-N	00000010110100000001000010000000000000000000000000000000	25-01-094556
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@@H](C)c1cc2n(n1)CCC2	ZINC22_886094903	343.466	GYDCYXBSRUVDJX-HGQUKEQDSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094557
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@H](C)c1cc2n(n1)CCC2	ZINC22_886094904	343.466	GYDCYXBSRUVDJX-PEELUZDISA-N	00000010100000000001100010000000000000000000000000000000	25-01-094558
CC(c1cc2n(n1)CCC2)NC[C@H]1CCO[C@@H]1c1c(C)nn(c1C)C	EMOLS-id_316141911,MCULE-5501657491	343.466	GYDCYXBSRUVDJX-YJVRRGMSSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094559
CC(C)n1nc2c(c1CN[C@@H]1C[C@@H](Cn3cccn3)C[C@H]1O)CCC2	ZINC22_2325805913	343.466	CVHRLZWPPQTDJD-LSBZLQRGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094560
CC(C)n1nc2c(c1CN[C@@H]1C[C@H](Cn3cccn3)C[C@H]1O)CCC2	ZINC22_2325805914	343.466	CVHRLZWPPQTDJD-POZUXBRTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094561
CCn1nccc1[C@@H]1OCCC[C@H]1CNC(c1nn2c(c1)CCC2)C	EMOLS-id_316084077,MCULE-8002913079	343.466	KRGAWGFQKGBVQE-DZNRSUDRSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094562
CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H](C)c1cc2n(n1)CCC2	ZINC22_886080017	343.466	KRGAWGFQKGBVQE-YZVOILCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094563
CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@H](C)c1cc2n(n1)CCC2	ZINC22_886080018	343.466	KRGAWGFQKGBVQE-ZRGWGRIASA-N	00000010100010000001100010000000000000000000000000000000	25-01-094564
CCN(CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)n3ncnc23)cc1	ZINC22_863983896	343.466	MTTRCLXAYORBLR-CRAIPNDOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094565
CCN(CC)CCOc1ccc(CN[C@@H]2C[C@H](C)n3ncnc23)cc1	ZINC22_863983897	343.466	MTTRCLXAYORBLR-MAUKXSAKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094566
CCN(CC)CCOc1ccc(CN[C@H]2C[C@@H](C)n3ncnc23)cc1	ZINC22_863983898	343.466	MTTRCLXAYORBLR-QAPCUYQASA-N	00000010100000110001000010000000000000000000000000000000	25-01-094567
CCN(CC)CCOc1ccc(CN[C@H]2C[C@H](C)n3ncnc23)cc1	ZINC22_863983899	343.466	MTTRCLXAYORBLR-YJBOKZPZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094568
CCN(CCOc1ccc(cc1)CNC1CC(n2c1ncn2)C)CC	MCULE-5995691062,EMOLS-id_316995112	343.466	MTTRCLXAYORBLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094569
C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)c1sc2c(c1)CCC2	GD-id_ZINC24444627	343.466	WELFOLBTMYGVGX-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-094570
O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2	ZINC22_524735765	343.466	XSPCYLAASOMSFX-AWEZNQCLSA-N	00000010110100000001000010000000000000000000000000000000	25-01-094571
O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2	ZINC22_524735766	343.466	XSPCYLAASOMSFX-CQSZACIVSA-N	00000010110100000001000010000000000000000000000000000000	25-01-094572
Cc1cccc(N=c2[nH]nc(SCc3cc4n(n3)CCC4)s2)c1	PC-id_146134778,ZINC22_651179088	343.47	LQENKTXGNOHUMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094573
CC(C)c1ccc(cc1)C(C)NC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956480	343.483	WUKNCPMWHFPIDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094574
CN([C@@H]1Cc2c(C1)c(sc2C(=O)CCc1ccc(c(c1)C)O)C)C	PC-id_143295731	343.483	OTFDDSWPVIDWGL-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094575
COc1ccccc1CNC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C	PC-id_143171993	343.483	AYLZJVJAWJNKBO-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094576
c1(CN(C2CCCC2)C(=O)Cc2cccs2)c2CCCc2n(C)n1	PC-id_86266576,MCULE-5391166323,EMOLS-id_50145320	343.486	JZJHCLCQEWXZGD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094577
c1(NC(=O)CC2(CCCCC2)Cn2cccc2)sc2c(CCC2)n1	EMOLS-id_323232877,MCULE-7732401924	343.486	HFNQDADGBVRNQL-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-094578
c1(NC(=O)C(CC)c2ccccc2)c2CSCc2nn1C(C)(C)C	MCULE-7405619630,EMOLS-id_5438627,PC-id_3390693	343.486	VMKUFZNIUXKXIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094579
Cc1cccc(OCC2CCCN(Cc3nc4CCCc4s3)C2)n1	EMOLS-id_323904755,MCULE-5197563910	343.486	JRAFVAWLTSALRG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094580
Cc1cccc(OC[C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)n1	ZINC22_1888850084	343.486	JRAFVAWLTSALRG-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094581
Cc1cccc(OC[C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)n1	ZINC22_1888850085	343.486	JRAFVAWLTSALRG-OAHLLOKOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094582
Cc1cccnc1OCC1CCN(Cc2nc3CCCc3s2)CC1	ZINC22_585533081,MCULE-8418090333,EMOLS-id_323913212	343.486	VCHOGIIJELZRPI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094583
Cc1cc(OCC2CCCN(Cc3nc4CCCc4s3)C2)ccn1	EMOLS-id_317458269,MCULE-7958213446	343.486	KOVIVJUCMDPEAY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094584
Cc1cc(OC[C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)ccn1	ZINC22_1776000795	343.486	KOVIVJUCMDPEAY-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094585
Cc1cc(OC[C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)ccn1	ZINC22_1776000796	343.486	KOVIVJUCMDPEAY-OAHLLOKOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-094586
Cc1csc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109874	343.486	RAGGNXBJVOBQOA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094587
CC[C@@H](C(=O)Nc1c2c(nn1C(C)(C)C)CSC2)c1ccccc1	CoCoCo_4982353,PC-id_7096419,ZINC22_4088673	343.486	VMKUFZNIUXKXIC-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094588
CC[C@H](C(=O)Nc1c2c(nn1C(C)(C)C)CSC2)c1ccccc1	ZINC22_4088671,PC-id_7096416,CoCoCo_4982354	343.486	VMKUFZNIUXKXIC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094589
COc1ccccc1NC1CCN(Cc2nc3c(s2)CCC3)CC1	ZINC22_97033986,MCULE-1445056464,PC-id_75516002,EMOLS-id_49338325	343.486	TVAFNSHXXJEFNC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094590
N#Cc1c(NC(=O)CCN2CCCC2C2CCC2)sc2c1CCC2	EMOLS-id_98264438	343.486	HUNIUGDLGPZFGO-UHFFFAOYSA-N	00001010100000000000100010000000000000000000000000000000	25-01-094591
OC1CC(N(C1)Cc1ccccc1)CNCc1sc2c(n1)CCC2	PC-id_109948779	343.486	BDNBJYXQMHMRQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094592
OC1CCN(CC1)Cc1ccccc1NCc1sc2c(n1)CCC2	PC-id_109948601	343.486	BQISYIAJFQCCKF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094593
OCC1CCN(c2ccccc2NCc2nc3c(s2)CCC3)CC1	ZINC22_97048893,MCULE-7377111685,PC-id_75499490,EMOLS-id_49303039	343.486	AZVFMUAYRGVDGB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094594
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1cscc1	PC-id_92109934	343.486	IOUDTUAJLFRCCB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094595
s1c2CCCc2cc1C(=O)NN=Cc1c(n(CC(C)C)c(c1)C)C	PC-id_85015429	343.486	SIDHXRBRIBKXRG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094596
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(cc(cc1C)C)C	PC-id_4598103	343.486	HOWRTDWXSJVALA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094597
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)CCCc1ccccc1	PC-id_7483975	343.486	IEZWGHADTQTWAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094598
CCNCc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053342	343.488	XCJFEUCETCJXPA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094599
CCNCc1csc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053361	343.488	IBJKAXKEXVSUQY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094600
CCNCc1sccc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053362	343.488	RQSDZRAKJNVKBL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094601
CCNCc1scc(c1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053377	343.488	XRQBSPCHDFHGCS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094602
CCS(=O)(=O)c1c(N)nsc1NCc1sc2c(c1)CCC2	PC-id_103359398	343.488	CHDLMEDDJKMLPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094603
CNCc1sc(cc1C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053336	343.488	GNVHHXPALFYJHC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094604
CNCc1sc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053323	343.488	KQQNVDJIOKBVNM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094605
CNCc1scc(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106053329	343.488	OSAGOJJRFXLAGG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094606
CNCCc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053395	343.488	XRINSKDKHMSHJI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094607
CN(C)C(=S)SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_43694156,CoCoCo_2832707,MCULE-2169771947,ZINC22_7978664,PC-id_9106692	343.488	WLTPUWLQNKJEMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094608
S(=O)(=O)(NCCc1nc2SCCn2c1)c1sc(CC)cc1	PC-id_7640555	343.488	BUQLCRPHLFEHMG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-094609
Cc1nc(C)nc(c1)N1CCCC(C1)NCc1sc2c(n1)CCC2	MCULE-4183384248,EMOLS-id_318293565	343.49	IWVWZPSDIRTSDO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-094610
s1c2CCCc2cc1CNCc1cnc(N2CCN(CC2)C)nc1	PC-id_75427042	343.49	JBFCZOHIXZEOQT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-094611
n1(c2c(C(CC2)CCc2ccccc2)cc1CCC)Cc1ccccc1	PC-id_53387455	343.504	JLLKTSWKOHTLDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094612
CC(C)(C)OC(=O)C1Cc2c(C1NS(=O)C(C)(C)C)ccs2	PC-id_90089912	343.505	APXSIMDWTVTMGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094613
CC(C)(C)OC(=O)C1Cc2c(C1NS(=O)C(C)(C)C)scc2	PC-id_90089899	343.505	AYLMJLZJCHJICO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094614
Brc1c(F)cc(C(N)c2sc3c(CCC3)c2)c(F)c1	PC-id_64211365	344.218	LYVUXSILHNJSRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094744
O=C([C@@H]1Cc2c([C@H]1N[S@@](=O)C(C)(C)C)ccs2)OC(C)(C)C	SCHEMBL15630819	343.505	APXSIMDWTVTMGV-GHIWOLQHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094615
O=C([C@@H]1Cc2c([C@H]1N[S@@](=O)C(C)(C)C)scc2)OC(C)(C)C	SCHEMBL15630805	343.505	AYLMJLZJCHJICO-DMDKVIGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094616
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CC1CCCCC1	PC-id_92109734	343.506	LXOHXRGLMRYIGB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094617
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCC1CCCC1	PC-id_92109735	343.506	BQODZFQZOZLVBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094618
s1c2CCCc2cc1C(=O)NCc1ccc(C[NH+](CC)CC)cc1	PC-id_8948002	343.506	XCJIZUSDRCVZEG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-094619
s1c2CCCc2cc1C(=O)NCc1c(C[NH+](CC)CC)cccc1	PC-id_9073454	343.506	IHNYMGJAHCJCHZ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-094620
CS(=O)(=O)NCCC1CCCCN1Cc1sc2c(n1)CCC2	EMOLS-id_48812753,MCULE-2268869331,PC-id_75471891	343.508	MBXFPJSKBZHIKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094621
CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1sc2c(n1)CCC2	PC-id_97335178	343.508	MBXFPJSKBZHIKR-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094622
CS(=O)(=O)NCC[C@H]1CCCCN1Cc1sc2c(n1)CCC2	PC-id_97335179	343.508	MBXFPJSKBZHIKR-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094623
CC(c1nnc([nH]1)C(C)C)CCC(C1CCn2c1cc(n2)C(C)C)C	SCHEMBL19228474	343.51	SMNUTPZNEIYIJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094624
CC(C)CCc1cc2=NC(=C(C34CCC(CC3N4)(C)C)N)C=c2s1	PC-id_90077351	343.529	PGUGZKOUWLZUOM-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-094625
C[Si](c1oc(c2c1CN(C2)Cc1ccccc1)[Si](C)(C)C)(C)C	PC-id_122203603	343.611	ZSBYQJNYWBCAMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094626
CC1CCc2c1c(Br)nn2Cc1cccc(Cl)c1F	MCULE-6759352057,EMOLS-id_330969328	343.622	QPWBPMCBCKLKIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094627
CC1CCc2c1c(Br)nn2Cc1cccc(F)c1Cl	MCULE-8086300541,EMOLS-id_330967295	343.622	XJEWLSHCXKPEQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094628
CC1CCc2c1c(Br)nn2Cc1ccc(Cl)cc1F	EMOLS-id_330969840,MCULE-7543721574	343.622	NOFYJCZFEBYSDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094629
CC1CCc2c1c(Br)nn2Cc1ccc(Cl)c(F)c1	EMOLS-id_330971376,MCULE-4979972956	343.622	FSLHUVADQQDJAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094630
CC1CCc2c1c(Br)nn2Cc1ccc(F)cc1Cl	MCULE-6682470874,EMOLS-id_330966783	343.622	DUKYPCYMOHWPJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094631
CC1CCc2c1c(Br)nn2Cc1ccc(F)c(Cl)c1	MCULE-5556502644,EMOLS-id_330969087	343.622	XGGSEQWLGLGJIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094632
CC1CCc2c1c(Br)nn2Cc1cc(F)ccc1Cl	MCULE-9683640214,EMOLS-id_330967039	343.622	DTOYBQGMWYLTQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094633
CC1CCc2c1c(Br)nn2Cc1cc(F)cc(Cl)c1	MCULE-1665394164,EMOLS-id_330969584	343.622	SCYBNSOPTGBWHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094634
CC1CCc2c1c(Br)nn2Cc1c(F)cccc1Cl	MCULE-4214437011,EMOLS-id_330966527	343.622	DWKSNBATPXZWAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094635
CC1CCc2c1c(Cl)nn2Cc1cc(Br)ccc1F	EMOLS-id_330975220,MCULE-2039894278	343.622	CMDGTMZDIDJNJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094636
CC1CCc2c1c(Cl)nn2Cc1ccc(Br)cc1F	MCULE-9946886310,EMOLS-id_330973684	343.622	HUCSYUJYVCBSJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094637
CC1CCc2c1c(Cl)nn2Cc1ccc(Br)c(F)c1	MCULE-2999606002,EMOLS-id_330973940	343.622	FHBQEIIBTHBPEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094638
CC1CCc2c1c(Cl)nn2Cc1cccc(Br)c1F	EMOLS-id_330975476,MCULE-9156824791	343.622	DJKRSOLEVCRCCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094639
CC1CCc2c1c(Cl)nn2Cc1cccc(F)c1Br	MCULE-2063448892,EMOLS-id_330973429	343.622	JPZZUJZGUJFFAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094640
CC1CCc2c1c(Cl)nn2Cc1ccc(F)c(Br)c1	MCULE-1048724043,EMOLS-id_330974964	343.622	AAVCOFWPMWTNQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094641
CC1CCc2c1c(Cl)nn2Cc1ccc(F)cc1Br	MCULE-1925444717,EMOLS-id_330977012	343.622	MENHAWYBMDUOHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094642
CC1CCc2c1c(Cl)nn2Cc1cc(F)cc(Br)c1	MCULE-4543580434,EMOLS-id_330975732	343.622	YPFSZSBPKOQQGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094643
CC1CCc2c1c(Cl)nn2Cc1c(F)cccc1Br	EMOLS-id_330977268,MCULE-3601066359	343.622	MRSIFLXXPCKIDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094644
CC1CCc2nn(Cc3cc(Br)ccc3F)c(Cl)c12	EMOLS-id_330960304,MCULE-7427776546	343.622	UBHRIZTUEIPRHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094645
CC1CCc2nn(Cc3ccc(Br)cc3F)c(Cl)c12	MCULE-9849140379,EMOLS-id_330958768	343.622	VGXZJMWDRYLCDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094646
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(Cl)c12	EMOLS-id_330959024,MCULE-7396174871	343.622	MEBHQLNCBPJKBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094647
CC1CCc2nn(Cc3cccc(Br)c3F)c(Cl)c12	EMOLS-id_330960560,MCULE-7375059775	343.622	MDHGADSYXFHYMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094648
CC1CCc2nn(Cc3cccc(Cl)c3F)c(Br)c12	EMOLS-id_331016876,MCULE-9327932973	343.622	IRFXPGFCRDNQLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094649
CC1CCc2nn(Cc3cccc(F)c3Br)c(Cl)c12	EMOLS-id_330958513,MCULE-1031483990	343.622	XOHXOIOYKCVXGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094650
CC1CCc2nn(Cc3cccc(F)c3Cl)c(Br)c12	MCULE-6132007403,EMOLS-id_331014828	343.622	GFJKHKVGINIYES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094651
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(Br)c12	MCULE-6914364504,EMOLS-id_331017388	343.622	BZIHHMFLZLVUPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094652
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(Br)c12	EMOLS-id_331014829,MCULE-1891791778	343.622	HIIGOKISENZPJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094653
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(Cl)c12	EMOLS-id_330960048,MCULE-1770676883	343.622	ZDHKCYXBNRFEMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094654
CC1CCc2nn(Cc3ccc(F)cc3Br)c(Cl)c12	MCULE-8990773617,EMOLS-id_330958001	343.622	ROCDYBFOMAMPCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094655
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(Br)c12	EMOLS-id_331014316,MCULE-3631744367	343.622	PWKFRGQPHMMVMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094656
Fc1ccc(c(c1C(c1sc2c(c1)CCC2)N)F)Br	PC-id_106944887	344.218	QBUWLXPIXHJGSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094745
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(Br)c12	MCULE-3472530784,EMOLS-id_331016620	343.622	CLMCJYORGZMAKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094657
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(Cl)c12	EMOLS-id_330960816,MCULE-1425495972	343.622	HDUZXNGTCRJOOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094658
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(Br)c12	EMOLS-id_331014572,MCULE-6989305240	343.622	NYKJRNJPMNCVKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094659
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(Br)c12	MCULE-5855527825,EMOLS-id_331017132	343.622	CSUYVTLBCFOABI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094660
CC1CCc2nn(Cc3c(F)cccc3Br)c(Cl)c12	EMOLS-id_330958257,MCULE-1681351061	343.622	TTXURWDGCWXIRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094661
CC1CCc2nn(Cc3c(F)cccc3Cl)c(Br)c12	EMOLS-id_331018155,MCULE-9087901550	343.622	OHVYYBGQHHPGPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094662
Clc1cccc(c1C(c1sc2c(c1)CCC2)O)Br	PC-id_114269193	343.666	CTAPUAFWSUYDHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094663
Brc1ccc(c(c1)C(c1sc2c(n1)CCC2)N)Cl	PC-id_108397908	343.67	XWFMZTPSRZFCSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094664
Brc1ccc(c(c1)Cl)C(c1sc2c(n1)CCC2)N	PC-id_116486811	343.67	NDOWPBODWBEJQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094665
Brc1ccc(c(n1)C)NC1CCc2c1cc(s2)Cl	PC-id_108187493	343.67	AZWGHCYQQLHIFY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094666
Brc1cc(C(N)c2sc3CCCc3n2)ccc1Cl	PC-id_83230637	343.67	UDJCUONWMSZYOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094667
Brc1c(C(N)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_81592288	343.67	OQBJRTPBNNNKIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094668
Brc1c(C(N)c2sc3CCCc3n2)cc(Cl)cc1	PC-id_66157663	343.67	OERZHOYZIMLBRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094669
Brc1cnc(c(c1)Cl)NCc1sc2c(c1)CCC2	PC-id_103582425	343.67	FYFHTZBIBNQTMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094670
Clc1cnc(c(c1)Br)NCc1sc2c(c1)CCC2	PC-id_114835754	343.67	ICALWMVPNCXZRX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094671
Clc1sc2c(c1)C(CC2)Nc1cnc(c(c1)C)Br	PC-id_108184101	343.67	IXRPGNYQZRFAGQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094672
NC(c1ccc(c(c1)Cl)Br)c1sc2c(n1)CCC2	PC-id_108397909	343.67	JNRBSXXIKVHYJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094673
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2)Cl)n1	TIMTEC236876,CoCoCo_224952,MCULE-9316530327,EMOLS-id_1359645,CHEMBL1527290,BAS-01939622,ZINC22_303732,PC-id_798509	343.731	JGGSFHRBEJZSPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094674
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cccc(Cl)c2)n1	CoCoCo_224954,MCULE-3874451417,BAS-01939624,TIMTEC276445,PC-id_798511,ZINC22_303736,EMOLS-id_1359649	343.731	KXYRCWKPUOHRNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094675
Clc1cc(cc(c1)C(F)(F)F)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319029057	343.731	NOWNAESVHSHPPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094676
Clc1ccc(c(c1)C(F)(F)F)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319940613,MCULE-5793032146	343.731	YEYJVWIZOKURHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094677
O=C(c1ccc(c(c1)C(F)(F)F)Cl)NCc1cnc2n1CCC2	EMOLS-id_319542509	343.731	RPLWUNGTHHLBAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094678
O=C(c1ccc(c(c1)C(F)(F)F)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319793922	343.731	WDPPTPALIRPKHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094679
O=C(c1ccc(cc1Cl)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319605067	343.731	ZRTZGBUWXPRQDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094680
O=C(c1cc(ccc1Cl)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319656121	343.731	IFKNTMXUSQTARW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094681
O=C(c1ccc(cc1Cl)C(F)(F)F)NCc1n[nH]c2c1CCC2	MCULE-2350707611,EMOLS-id_320204582	343.731	ZXWHTAIADWJZGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094682
Clc1ccc(S(=O)(=O)CC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	PC-id_11382330	343.743	XXFIVEOMLNCUOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094683
O=C(NS(=O)(=O)c1cnc2n1CCC2)c1cc(F)ccc1Cl	EMOLS-id_316829799,ZINC22_816034035,MCULE-7524939382	343.761	NXXWDVNKALXCHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094684
ClCC(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481407,SCHEMBL5542741	343.766	QYACFLGZCCXJBN-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094685
ClCC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481409,SCHEMBL5542750	343.766	QYACFLGZCCXJBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094686
c1(C(=O)NCc2onc(c3ccc(cc3)Cl)n2)c2CCCc2[nH]n1	EMOLS-id_323252671,MCULE-9344083363	343.768	WTQRDSBLBYHJGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094687
c1(C(=O)NCc2onc(c3ccccc3Cl)n2)c2CCCc2[nH]n1	EMOLS-id_323259312,MCULE-8346240460	343.768	XWGIAJAHLIDCNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094688
O=C(NCc1nnc2n1CCC2)c1cc(c2cccc(Cl)c2)no1	ZINC22_69485471,EMOLS-id_36291790,MCULE-5454952803,PC-id_53569701	343.768	NEEFVKJTKZGEPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094689
CC1CCc2c1c(CN)nn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-1710833966,EMOLS-id_331016689	343.774	OVIYGFFOESYODR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094690
CC1CCc2c1c(CN)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	MCULE-7645279634,EMOLS-id_331015154	343.774	MWEQGOJCSBJOJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094691
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(CN)c12	MCULE-6624630302,EMOLS-id_330994364	343.774	ITHXSTCJFVIPOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094692
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(CN)c12	MCULE-3858244415,EMOLS-id_330996924	343.774	SWGCIFMMZJOEKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094693
COc1cc(Cl)c(cc1OC)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318090843	343.786	MYINHJANNAMLTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094694
CCCCc1cc2n(c1C(=O)c1cccc(c1)Cl)CC=C2C(=O)O	PC-id_70619520,SCHEMBL11604971	343.804	INJIEHHDXFADQN-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-094695
CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_313170472,ZINC22_574833074,MCULE-7485891905	343.804	DTPVEQIFEQCFJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094696
Cn1nc2c(c1NS(=O)(=O)Cc1ccc(c(c1)F)Cl)CCC2	EMOLS-id_318162312	343.804	FWAMFSGJIRJFRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094697
Fc1ccc(cc1Cl)CS(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319256695	343.804	RZFHRPKDOQFLTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094698
Clc1sc(nn1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_80617976	343.809	NDUTYVPVJXWXFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094699
c12CN(Cc1n(nc2)CCO)Cc1cnn(c2ccc(cc2)Cl)c1	PC-id_77097155,EMOLS-id_49898741,ZINC22_216440682,MCULE-2397857021	343.811	IBBDKGBGSZWWRK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094700
ClC1=Nc2scc[n+]2C1=CNn1cc(nc1N)c1ccccc1	PC-id_52476830	343.814	YGSWMIURSVFFMY-UHFFFAOYSA-O	00000011100000110001100010000000000000000000000000000000	25-01-094701
c
(=N/C(=O)c2c(Cl)ccc(c2)n2cccc2)/sc2c(CCC2)[nH]1	ZINC22_79494295,EMOLS-id_49403842,STOCK7S-35270,PC-id_71703182,EMOLS-id_44213794,MCULE-2920387139	343.831	FVEWOEXDEQXBTD-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-094702
Clc1ccc(c2oc(C[NH2+]C(c3n4CCCc4nn3)C)cc2)cc1	PC-id_75950593	343.831	ITQPSALRIUMVFZ-UHFFFAOYSA-O	00000010101000110001100010000000000000000000000000000000	25-01-094703
Clc1ccc(c2oc(C[NH2+][C@H](c3n4CCCc4nn3)C)cc2)cc1	PC-id_52910510	343.831	ITQPSALRIUMVFZ-LBPRGKRZSA-O	00000010101000110001100010000000000000000000000000000000	25-01-094704
Clc1ccc(c2oc(C[NH2+][C@@H](c3n4CCCc4nn3)C)cc2)cc1	PC-id_52910512	343.831	ITQPSALRIUMVFZ-GFCCVEGCSA-O	00000010101000110001100010000000000000000000000000000000	25-01-094705
Clc1ccc(C2(CCCC2)C(=O)Nc2n(nc3c2CCC3)C)cc1	CoCoCo_5273105,PC-id_44062373	343.85	VUFZQWTUICBLMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094706
Clc1ccc(cc1)C1(CCCC1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319898649,MCULE-6017383152	343.85	YZYXHHRUBADXGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094707
Clc1cc(c(S(=O)(=O)Nc2sc3CCCc3n2)cc1N)C	PC-id_80205642	343.852	OXKFOYDXWGDMGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094708
Clc1c(cc(S(=O)(=O)Nc2sc3CCCc3n2)cc1N)C	PC-id_81838472	343.852	RVLKPGFTEFEIKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094709
Clc1ccc(S(=O)(=O)NCCc2nc3SCCn3c2)cc1	PC-id_7640545	343.852	HVTKCPMUIWPDDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094710
Clc1cc(N)c(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_114379363	343.852	RHNSCROIKGKKKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094711
Clc1cc(S(=O)(=O)Nc2sc3CCCc3n2)cc(N)c1C	PC-id_61508002	343.852	KRYXWTMWYDLVMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094712
Clc1cc(S(=O)(=O)NCCc2nc3SCCn3c2)ccc1	PC-id_7640558	343.852	XWVCNXASHCOFGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094713
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(N)c(c1)C	PC-id_80061351	343.852	GEZLUDCEQBECJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094714
Clc1c(S(=O)(=O)NCCc2nc3SCCn3c2)cccc1	PC-id_7640559	343.852	CTFATUWMZSSUFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094715
Clc1sc2CCC(Nc3cc(NS(=O)(=O)N)ccc3)c2c1	PC-id_81233896	343.852	RTZVXWYPHMSBNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094716
NCc1cc(ccc1Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053390	343.852	AYAXFFHMYIYWMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094717
NCc1ccc(cc1Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053400	343.852	CLMIGWJQHBLGSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094718
NCc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_106053330	343.852	FPUYNZFRWMGLSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094719
C1CC2=C(N(N=C2C1)CC(=O)I)C(F)(F)F	PC-id_152864323	343.963	TYDWRDNAIARBPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094720
C1CC2=CC(=NN2C1)CN3C=C(N=N3)C4=CC(=CN=C4)Br	MCULE-2380209265,EMOLS-id_317763232,PC-id_154780654	344.039	YRMNBPROTSMJNJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-094722
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1CC3=CC=CC=C3Cl	PC-id_160505066	344.065	QSHFFSUNHVOWHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094723
OC(=O)c1sc2CN(Cc2c1Br)C(=O)C(F)(F)F	EMOLS-id_331240785	344.105	ZMVDWLHNVDFOJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094724
CC(n1nc2CCC(C)c2c1I)C(F)(F)F	MCULE-3773250547,EMOLS-id_330963893	344.115	FAAGFORBUFFHTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094725
CC(n1nc(I)c2C(C)CCc12)C(F)(F)F	MCULE-5787603091,EMOLS-id_330979833	344.115	JLBUXZPVBGRCHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094726
C1COCCN1CC2=CC=C(C=C2)COC3=CSC4=C3CNC4=O	PC-id_153374648	344.119	BIHLKINBXPSVTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094727
C1COCCN1CC2=CC=C(C=C2)OCC3=CC4=C(S3)C(=O)NC4	PC-id_153374626	344.119	AUPSQCNBTSMLHQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094728
CCOPCC(=O)NC1CCn2c1ccc2C(=O)c1ccccc1	PC-id_163943298	344.129	RSXPHKHVCDWAEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094729
CN1C2=C(CN(C2)C(=O)C3CCCCN3C(=O)C4=CC=CS4)C=N1	EMOLS-id_317719980,PC-id_154745131,MCULE-7513277566	344.131	WFKHULJSBQHUQZ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-094730
C1CC2=C(C1)NN=C2C(=O)NCC3CCN3CC4=CC=CC=C4Cl	PC-id_154797112	344.14	PWYQKVLEIFPXFH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-094731
S1(=O)(=O)N(CCC)C(=O)c2n(P(PP)P)nnc12	PC-id_23398292	344.145	HLZMXKYBTAPKKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094732
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)OC(=O)C3=CC=CC=C3)N	PC-id_147348547	344.148	DEXTUNKUGDQROI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094733
Cc1nn2/c(=C/c3cc(c(c(c3)Cl)O)Cl)/c(c(c2n1)C#N)[N+]#[C-]	PC-id_136034583	344.155	YVOPAKWBVGOSAI-LFYBBSHMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094734
Cc1nn2c(=Cc3cc(c(c(c3)Cl)O)Cl)c(c(c2n1)C#N)[N+]#[C-]	PC-id_136648881	344.155	YVOPAKWBVGOSAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094735
Ic1c(Nc2sc3CCCc3n2)ncnc1	PC-id_66317915	344.175	XYKCTVNPXSEFPU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-094736
Ic1cnc(nc1)Nc1sc2c(n1)CCC2	PC-id_116648916	344.175	XVYONITUMSLCJO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-094737
CC(CCS(=O)(=O)N1CCn2c1c(Br)cn2)(F)F	EMOLS-id_318879958	344.176	FWICVTODTYSXTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094738
CCN(C(=O)c1nn2c(c1Br)CCC2)[C@@H]1COC[C@H]1O	EMOLS-id_319540242	344.204	AVHSTUSZQVPPLV-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094739
OCC1(CO)CCCN1C(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319195844	344.204	KLRPWBHJEDJFGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094740
OC[C@@H]1CC[C@H](N1C(=O)c1c(Br)nc2n1CCC2)CO	EMOLS-id_278961815	344.204	VTLCAZCDUMOJSG-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094741
Brc1cn(nc1c1ccccc1)Cc1nnc2n1CCC2	EMOLS-id_319252714	344.209	VVGBIBAMQRDQRT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094742
Clc1nc2SCCn2c1COC(=O)Nc1ccc(Cl)cc1	PC-id_21811883	344.216	PYEFXLBGJIYDCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094743
O=C(C1CC1(C)C)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_303980088	344.224	WGFXKGJSDLNONN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-094746
O=C([C@H]1CC1(C)C)N1Cc2c(C1)c(c(s2)C(=O)O)Br	MCULE-6596455914,EMOLS-id_258101559	344.224	WGFXKGJSDLNONN-SSDOTTSWSA-N	00100010100000000000000010000000000000000000000000000000	25-01-094747
CC1=NOC(=N1)C2CCC(CC2)N(C)CCN3CC4=CN(N=C4C3)C	PC-id_155265932	344.232	JGPKVWWCIVOCKQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094748
CC(C1=NN2CCCC2=C1)NC[C@H]3[C@@H](N(CCO3)C)C4=CN=CN4C	PC-id_154801036	344.232	BFDLEBZPGCFMRG-RHGDZWTLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094749
CN1C(=NN(C1=O)C)C[C@H]2CCCC[C@H]2NCC3=NN4CCCC4=C3	EMOLS-id_317322993,MCULE-7288056219,PC-id_154767613	344.232	VIHUWHCWEQRIIL-CZUORRHYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094750
CC(C1CCCC1)n1nc2CCC(C)c2c1I	MCULE-1873526229,EMOLS-id_330961597	344.234	ABVMTOGDXSTSNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094751
OC(=O)O[C@H]1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19584603	344.246	CQMICXDXSJGBAQ-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-094752
O=C(c1c(C)nsc1Br)Nc1sc2c(n1)CCC2	EMOLS-id_318387784	344.251	JMDUXUVAWCFKTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094753
Clc1sc2CCC(Nc3cc(OC)c(OC)cc3Cl)c2c1	PC-id_81234397	344.256	XIOCAUWPJWMEJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094754
Clc1sc2CCC(Nc3c(OC)cc(Cl)c(OC)c3)c2c1	PC-id_81233562	344.256	YBVDYLOBBVLGCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094755
Clc1sc2CCC(Nc3c(OC)cc(OC)c(Cl)c3)c2c1	PC-id_81234822	344.256	YNDYHFOYBHKMOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094756
Brc1scc2C(=O)N(CC(CCCC)CC)C(=O)c12	PC-id_58261091,SCHEMBL1498233	344.267	NWSKBNYGRJFKJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094757
Brc1scc2C(=O)N(CCCCCCCC)C(=O)c12	SCHEMBL16307246,PC-id_71485699	344.267	MBGATBGKODXOSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094758
BrCC1(CCOCC1)NC(=O)c1sc2c(c1)CCC2	PC-id_114170612	344.267	DDDHKSSDJXMCSH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-094759
BrCC1OC(C)CN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_102937916	344.267	QUSIPBYIFRSPDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094760
BrCC1OCC(N(C1)C(=O)c1sc2c(CCC2)c1)C	PC-id_81211997	344.267	BMFISYGMUZVSLE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094761
CCCCCCCCN1C(=O)c2c(C1=O)sc(c2)Br	SCHEMBL20434465,PC-id_102447563	344.267	BSLBSHRYBPEGLJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094762
CCCCC(CC)CN1C(=O)c2cc(Br)sc2C1=O	EMOLS-id_317444663,SCHEMBL19011416,MCULE-1750292074	344.267	ILZAUTUHQHZKME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094763
CCCCC(CN1c2c(Br)csc2C(=O)C1=O)CC	PC-id_118385859,SCHEMBL17101657	344.267	RHZGUMARSONVHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094764
CCCC[C@@H](CC)CN1C(=O)c2cc(Br)sc2C1=O	ZINC22_1776010937	344.267	ILZAUTUHQHZKME-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094765
CCCC[C@H](CC)CN1C(=O)c2cc(Br)sc2C1=O	ZINC22_1776010938	344.267	ILZAUTUHQHZKME-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-094766
Clc1c(C(NCc2sc3c(CCC3)c2)C)cc(F)c(Cl)c1	PC-id_63452668	344.274	NBQPHIFBEHREJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094767
Clc1c(C(NCc2sc3c(CCC3)c2)C)c(Cl)ccc1F	PC-id_63452412	344.274	RCIWXTGQSRFNPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094768
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)NCc1n[nH]c(=O)n1C	EMOLS-id_317042975,MCULE-7721603439	344.292	HDCNTGKEELAQAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094769
Fc1ccc(cc1)c1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518604	344.301	XVSNOXIUCGLUPR-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094770
[O-]C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)[N+](=O)[O-]	SCHEMBL17872124,PC-id_121438528	344.302	SBYAKJDFSUXNGB-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-094771
BrCCC(C(C)(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_106355924	344.31	GCVIZLBTFJUOJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094772
BrC(CC(C)(C)C)CNC(=O)c1sc2c(c1)CCC2	PC-id_107156732	344.31	HNWKIPHKZFUMFM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094773
BrCCCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_106145297	344.31	OOWYGVQXWNEABS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094774
BrCCN(C(CC)CC)C(=O)c1sc2c(CCC2)c1	PC-id_80671197	344.31	RAIOMMQHHCNXQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094775
CCC(C(CNC(=O)c1sc2c(c1)CCC2)Br)CC	PC-id_106287882	344.31	KTLXGPJKRCMJGW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094776
CCCC(CNC(=O)c1sc2c(c1)CCC2)CCBr	PC-id_106117850	344.31	PSPKJKBMTBBFMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094777
CCC(CNC(=O)c1sc2c(c1)CCC2)(CBr)CC	PC-id_106255278	344.31	WXOGPPLHLRHFRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094778
COC(=O)c1c(NC(=O)N2CCC(C2)(O)C(F)F)nc2n1CCC2	EMOLS-id_319717592	344.314	WKCFWTVHWDVBNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094779
COC(=O)c1c(NC(=O)N2CCC(C(C2)(F)F)O)nc2n1CCC2	EMOLS-id_319313429	344.314	QHQNKOBDDARCTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094780
COC(=O)c1c(NC(=O)N2CCOCC(C2)(F)F)nc2n1CCC2	EMOLS-id_319242286	344.314	OLLOYJJCLCHXBX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-094781
Fc1ccc(c(c1)F)c1onc(c1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_319223048	344.315	GFPULNLUTKAQIH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094782
Fc1ccc(c(c1)F)c1onc(c1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_319779875	344.315	LSWBXZSMEOSSAC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094783
Fc1ccc(c(c1)F)c1onc(c1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_319829595	344.315	PXDFHXKJVDRKJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094784
[O-][N+](=O)OC(OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C	SCHEMBL17268520,PC-id_118520455	344.319	TZOKMIBFERVEBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094785
COC(=O)c1cc(C(=O)Nc2c3c(nn2C)CCC3)cc([N+](=O)[O-])c1	MCULE-3972924307,PC-id_47074585,EMOLS-id_32093624,ZINC22_48299082	344.322	HKTUFXSOQKVQIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094786
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(C)ccc(c1)N(=O)=O)CC	PC-id_135649941,SPECS-id_AN-153/NB21591,STOCK6S-81436,EMOLS-id_27452868,MCULE-3256052220	344.325	JEJLXPHCFSUNPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094787
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2	PC-id_135878636,ZINC22_31815096	344.325	JEJLXPHCFSUNPE-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094788
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2	PC-id_135878637,ZINC22_31815101	344.325	JEJLXPHCFSUNPE-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-094789
o1nc(nc1N/N=C/1c2n(nc(n2)C(C)C)N=C1C=CC(=O)OC)C	PC-id_59696971	344.329	VOIRXVCGKGHFLS-KLDJGCDUSA-N	00000011100000000001000010000000000000000000000000000000	25-01-094790
o1nc(nc1NN=C1c2n(nc(n2)C(C)C)N=C1C=CC(=O)OC)C	PC-id_71098835	344.329	VOIRXVCGKGHFLS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-094791
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)NCC(F)(F)F	PC-id_114805412	344.331	LOZPWLCKLTYJJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-094792
CC(=O)N1CC(CCC1C(F)(F)F)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_316059239,MCULE-9690354620	344.332	MTJAEPGOWKNHHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094793
CC(=O)N1C[C@H](NC(=O)c2n[nH]c3c2CCC3)CC[C@@H]1C(F)(F)F	ZINC22_886044666	344.332	MTJAEPGOWKNHHN-BXKDBHETSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094794
CC(=O)N1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)CC[C@H]1C(F)(F)F	ZINC22_886044667	344.332	MTJAEPGOWKNHHN-CABZTGNLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094795
CC(=O)N1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)CC[C@@H]1C(F)(F)F	ZINC22_886044669	344.332	MTJAEPGOWKNHHN-JOYOIKCWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094796
CC(=O)N1C[C@H](NC(=O)c2n[nH]c3c2CCC3)CC[C@H]1C(F)(F)F	ZINC22_886044670	344.332	MTJAEPGOWKNHHN-SKDRFNHKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094797
O=C(C1CCCN(C1=O)CC(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319457164	344.332	AEVUTSHNWNALIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094798
O=C(C1CCCN(C1=O)CC(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_320169971,MCULE-4554344895	344.332	XEAQDJKUGDNVGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094799
O=C(N1CC(C1)NC1COC1)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_319598323	344.332	UUKIHJPOQWDQNE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-094800
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)CN1CCOC1=O	MCULE-3584541191,PC-id_56755380,ZINC22_67878109,EMOLS-id_36605446	344.34	BGUNIQZFDQIRCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094801
O=C(N(C1CC1)Cc1ccc(cc1F)C(=O)N)c1cc2n(n1)CCO2	EMOLS-id_318186512	344.34	CYPGTKBQOYBNDP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-094802
c1(NC(=O)COc2cccnc2N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_181326515,MCULE-8928221187,PC-id_27968650	344.345	JZMUSKTXHXWMJZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094803
O=C(Cn1cnc(cc1=O)c1ccco1)Nc1onc2c1CSC2	PC-id_121090755	344.345	VQZPYTXTMCOHQV-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-094804
O=C(Cn1nc(ccc1=O)c1ccco1)Nc1onc2c1CSC2	PC-id_121049848	344.345	MWLMEZWEXCHTJM-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-094805
[O-][N+](=O)c1ccc(=O)n(CC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-7237648758,EMOLS-id_180181677,PC-id_38895710	344.345	MFQFUCYXPHKJJJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094806
C1c2c(onc2CS1)NC(=O)Cn1c(=O)ccc(n1)n1cccn1	PC-id_90517361	344.348	SAYKAYNDROUYNW-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-094807
Cc1csc(N(CC(F)(F)F)C(=O)c2c3c(nn2C)CCC3)n1	EMOLS-id_316941558,MCULE-4140455953,ZINC22_902786534	344.355	HZPUGLGQYPNDFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094808
Cc1csc(N(C)C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_1775999838,MCULE-3943224406,EMOLS-id_317032477	344.355	XTFJHRFFAOQUQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094809
N#Cc1c(NC(=O)C2CCCC(C2)C(F)(F)F)nc2n1CCS2	EMOLS-id_110839078	344.355	NZEVEVTWEMGUOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094810
c12CN(Cc1nn(CC(F)F)c2C(=O)N(C)C)C(=O)OC(C)(C)C	EMOLS-id_324350827,MCULE-2200838564	344.357	DDRUUKKAJQKEDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094811
c1(NC(=O)COC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C#N	EMOLS-id_1508491,BAS-08765130,ChEMBL-DNDi_CHEMBLF3098-8691,ZINC22_149787,CoCoCo_375903,CHEMBL1445845,MCULE-8012707734,ChEMBL-DNDi_CHEMBL1445845,PC-id_734299	344.36	WQZFOXJLYUBXBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094812
s1c2CCCc2cc1C(=O)OCc1onc(n1)c1ccc(F)cc1	PC-id_8187334	344.36	UFNVCULRNNWOTM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094813
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(F)ccc1)C#N	PC-id_8612178	344.36	XZVJVZBWDWOAMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094814
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(F)cccc1)C#N	PC-id_7574892	344.36	AVQNJKHMQFLPHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094815
[O-]C(=O)CC1CCc2c1sc(c2C(=O)c1ccc(cc1)[N+](=O)[O-])C	SCHEMBL10741047,PC-id_20213643	344.362	GXLUDOQEUDJYQX-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-094816
s1c2c(CCC2)c(c1NC(=O)c1c(cccc1)C(=O)[O-])C(=O)OC	PC-id_3470603	344.362	ASCGLENEAKALNJ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-094817
c12c(C(=O)NN=Cc3ccc(OC)c(OC)c3OC)n[nH]c1CCC2	MCULE-8410625437,PC-id_4539174	344.365	LAODQEOCZAYNTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094818
c1(C(=O)NN=Cc2cc(OC)c(cc2OC)OC)c2CCCc2[nH]n1	PC-id_5406187,MCULE-5778825843	344.365	LPKZOOHTFGETAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094819
c1(C(=O)NN=Cc2cc(OC)c(c(OC)c2)OC)c2CCCc2[nH]n1	EMOLS-id_300012941,PC-id_5400048,MCULE-5763958893	344.365	LPIVMBNTXUHTHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094820
Cn1nc2c(c1C(=O)N1CCC[C@H](c3ocnc3C(=O)O)C1)CCC2	ZINC22_2325821350	344.365	HTHWRGMCSVOHJQ-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-094821
Cn1nc2c(c1C(=O)N1CCC[C@@H](c3ocnc3C(=O)O)C1)CCC2	ZINC22_2325821351	344.365	HTHWRGMCSVOHJQ-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-094822
COc1cccc(c1)CNC(=O)c1oc2c(n1)CN(C2)C(=O)N(C)C	PC-id_97525825	344.365	KAOPBKWJZHFWKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094823
COc1cc(/C=NNC(=O)c2[nH]nc3c2CCC3)cc(c1OC)OC	CoCoCo_205532	344.365	LPIVMBNTXUHTHX-NVMNQCDNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094824
COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc(c1OC)OC	BAS-01552406,CoCoCo_205531,TIMTEC291970,SPECS-id_AT-225/NB40882,CoCoCo_205529,EMOLS-id_630396,PC-id_6891668,CoCoCo_205530,STOCK3S-44641	344.365	LPIVMBNTXUHTHX-GIJQJNRQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094825
COc1c(/C=N/NC(=O)c2n[nH]c3c2CCC3)ccc(c1OC)OC	SPECS-id_AT-225/NB41708,PC-id_9676082	344.365	LAODQEOCZAYNTA-GIJQJNRQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094826
COc1cc(OC)c(cc1/C=NNC(=O)c1[nH]nc2c1CCC2)OC	CoCoCo_138591,CoCoCo_138589	344.365	LPKZOOHTFGETAF-NVMNQCDNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094827
COc1cc(OC)c(cc1/C=N/NC(=O)c1n[nH]c2c1CCC2)OC	CoCoCo_138588,STOCK3S-30650,PC-id_6862995,SPECS-id_AG-690/40722120,BAS-00834387,EMOLS-id_206903925,CoCoCo_138590	344.365	LPKZOOHTFGETAF-GIJQJNRQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094828
COC(=O)c1c(NC(=O)N2CC(C2)Cc2cocc2)nc2n1CCC2	EMOLS-id_319738053	344.365	AJHQHPGAELDZHU-UHFFFAOYSA-N	00001010101000000001000010000000000000000000000000000000	25-01-094829
COC(=O)c1c(NC(=O)N2CCC(C2)c2ccco2)nc2n1CCC2	EMOLS-id_319581834	344.365	NASLHUZATUGITB-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-094830
COC(=O)c1c(NC(=O)N(Cc2ccccc2O)C)nc2n1CCC2	EMOLS-id_319266878	344.365	NZQNMSOPPXCQFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094831
COC(=O)c1c(NC(=O)N(Cc2cccc(c2)O)C)nc2n1CCC2	EMOLS-id_319399497	344.365	PQVXATGBYBZZEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094832
O=C(NN=Cc1c(OC)cc(OC)cc1OC)c1n[nH]c2CCCc12	PC-id_2044783	344.365	LPEQOVMJODNRDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094833
C1Cc2c(c(c(n2C1)C(=O)Nc1ccccc1)N=Cc1ccco1)C#N	BindingDB_PC-id_137653913,PC-id_137653913	344.367	URSYQRZVYWARTG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-094834
COc1cc(CS(=O)(=O)NC(=O)c2cc3n(n2)CCO3)sn1	MCULE-8749838115,EMOLS-id_316882389,ZINC22_851437989	344.367	YNRXCBPPVSGVLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094835
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H]([C@@H](C1)c1cn(nn1)C)CC(=O)O	ZINC22_299800036,PC-id_118788387,MCULE-2280696481,EMOLS-id_68926839	344.368	UVDOYOFETNWFHN-GXSJLCMTSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094836
C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1nnc2n1CCC2	PC-id_97245850,ZINC22_95442707	344.368	YMKCBYXUWXAXRN-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094837
C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1nnc2n1CCC2	ZINC22_95442706,PC-id_97245849	344.368	YMKCBYXUWXAXRN-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-094838
Cn1cc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2CC(=O)O)nn1	PC-id_164635931,ZINC22_1565527525	344.368	UVDOYOFETNWFHN-KOLCDFICSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094839
CN(Cc1nnc2n1CCC2)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	EMOLS-id_31950707,ZINC22_40527806,MCULE-2586601854,CoCoCo_4891893,PC-id_45821971	344.368	SIAXQHUAWLOUBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094840
CO[C@@H]1C[C@H](CNC(=O)c2cc3n(n2)CCO3)N(c2ccncn2)C1	MCULE-9674253297,EMOLS-id_316156760,ZINC22_952887471	344.368	PNWQOFWBAHRPIV-VXGBXAGGSA-N	00000010100000100001100010000000000000000000000000000000	25-01-094841
COC(=O)c1c(NC(=O)N2CCC(C2)n2cccn2)nc2n1CCC2	EMOLS-id_319558100	344.368	HDMUIIODWSDJIR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-094842
O1[C@@](CN2CCN(CC2)c2cccnc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5541486,PC-id_69481174	344.368	VXLZUOXGOQFENS-INIZCTEOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094843
O1C(CN2CCN(CC2)c2cccnc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5541494,PC-id_69481176	344.368	VXLZUOXGOQFENS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094844
O1[C@@](CN2CCN(CC2)c2ccncc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479618,SCHEMBL5536438	344.368	VTUJIMKWKDOKRE-INIZCTEOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094845
O1C(CN2CCN(CC2)c2ccncc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5536440,PC-id_69479619	344.368	VTUJIMKWKDOKRE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094846
O=C(NC(c1n2CCCc2nn1)C)NCCc1cc([N+](=O)[O-])ccc1	MCULE-7656571249,PC-id_75391082,EMOLS-id_48290660	344.368	YMKCBYXUWXAXRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094847
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC(C)N2CCCC2)n1	EMOLS-id_377710,LEG-20034591,MCULE-4404262229,PC-id_46957427	344.375	HLQBKKIAFJWDAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094848
C[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCC1	CoCoCo_451976,ZINC22_19456457,PC-id_92582007	344.375	HLQBKKIAFJWDAP-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-094849
C[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCC1	PC-id_92582008,CoCoCo_451975,ZINC22_19456459	344.375	HLQBKKIAFJWDAP-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094850
CCN1CCC[C@@H](C1)NC(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_320148117,MCULE-1566596841	344.375	QOVBICFLFAHBAG-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-094851
CCN1CCC(NC(=O)c2c3c(nn2C)CCC3)(C(F)(F)F)CC1	MCULE-2019290535,ZINC22_905825812,EMOLS-id_316976894	344.375	SJKVMTKNZYTXPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094852
Cn1ncc2c1CN(C2)C(=O)C([C@@H]1CCC[C@@H](N1)C(F)(F)F)(C)C	EMOLS-id_319729584	344.375	OMBOQJNCLARBFN-QWHCGFSZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094853
O=C(C([C@@H]1CCC[C@@H](N1)C(F)(F)F)(C)C)NC1CCn2c1ncc2	EMOLS-id_319769311	344.375	IWJAKKBTFQZZAM-GLXQMMQGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094854
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)N[C@@H]1CCC[C@H]1N(C)C	EMOLS-id_320011117,MCULE-3573498612	344.375	MFQIVQMQMXSXEP-DGCLKSJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094855
O=C(N1CCC(C1)(C)N(C)C)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_318796071	344.375	BJTVXVWLMIOKKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094856
O=C(NC1CC(n2c1ncc2)C)NCC1CCCC(C1)C(F)(F)F	EMOLS-id_101417187	344.375	JVPGOBOPFNVZLU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094857
O=C(Nc1n(C)nc2c1CCC2)CC1CCN(CC1)CC(F)(F)F	EMOLS-id_316629671	344.375	FGVNCNLTHWDCII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094858
O=C(NCCC1CCN(CC(F)(F)F)CC1)c1n[nH]c2c1CCC2	EMOLS-id_49089331,MCULE-8376338354,PC-id_71979278,ZINC22_96451675	344.375	LDFZMWMOFQTEHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094859
O=C(N([C@@H]1CC[C@@H](CC1)C(F)(F)F)C)NC1CC(n2c1ncc2)C	EMOLS-id_101574738	344.375	KXBCEODNYABVQC-UNTZMWQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094860
s1c2CCCc2nc1NC(=O)c1ccc(SC(F)(F)F)cc1	PC-id_26723454	344.375	PSPKYSXROZMMIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094861
C1c2c(onc2CS1)NS(=O)(=O)CCOc1ccc(cc1)F	PC-id_90518645	344.382	AXLBXUURWIEALB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094862
C1CN(CCC1C(c1ccc(cc1)F)O)C(=O)C1c2c(CN1)[nH]nc2	PC-id_136572218,MCULE-7686077316,EMOLS-id_317054215	344.383	XSUMWQDYPVGLSI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094863
c1(CN(C)C(=O)CCNC(=O)c2ccc(cc2)F)[nH]nc2CCCc12	ZINC22_67850303,EMOLS-id_32419276,MCULE-8875862763,PC-id_50975183	344.383	JJSHQRQGFAITEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094864
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccc(c(F)c2)C)n1	MCULE-1189098577	344.383	MFRILHGRHUYXJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094865
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccc(c(F)c2)C)n1	EMOLS-id_316326719,MCULE-2567461878	344.383	MFRILHGRHUYXJA-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094866
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)Cc3cccc(F)c3)C2)n1	MCULE-3974176908,EMOLS-id_316328764	344.383	IJCFXWYCELVPLQ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094867
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)Cc3cccc(F)c3)C2)n1	MCULE-3900832519	344.383	IJCFXWYCELVPLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094868
COc1ccc(F)c(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c1	MCULE-9444565620,PC-id_136535715,ZINC22_682954985,EMOLS-id_316922392	344.383	KHNXQSRWSAJFLE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094869
COC(=O)c1c(COC(=O)NC(C)C)c2n(c1C)CS(=O)(=O)C2	NSC373599,ZINC22_1589101,CoCoCo_5631145,PC-id_341456	344.383	OHSIEGUJCSFVMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094870
Fc1ccc(cc1)C1CN(CCO1)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_177463748,PC-id_121507669,MCULE-9161678430	344.383	GUHYAXWJVHFZQD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094871
Fc1ccc(cc1)C1COCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101572827	344.383	URWGRTIIRZTEHR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094872
Fc1cccc(c1)C1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101414212	344.383	HUEMRDFNFOKGBE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094873
Fc1ccc(cc1)C1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436648	344.383	BOJXBSYXZRUMNT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094874
Fc1ccc(cc1)COC1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318902630	344.383	JCHJZLJZYMBYQQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094875
Fc1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)N1CCOCC1	MCULE-6610344295,EMOLS-id_320005631	344.383	NUGDWHFEROZZSZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094876
Fc1cc(cc(c1)N1CCOCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319279944	344.383	DIOGFYGEERDSEU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094877
Fc1ccc(cc1)OC[C@@H]1CCCN1C(=O)NC1CCn2c1ncc2	MCULE-6404414790,EMOLS-id_316941546	344.383	JXRIDAFXRGIXIO-LBAUFKAWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094878
Fc1cccc(CNC(=O)N2Cc3nc(CN4CCCC4)oc3C2)c1	EMOLS-id_46183529,ZINC22_96086754,PC-id_97406070	344.383	OYDWDMYWDYKLQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094879
O=C(c1ccc(c(c1)F)N1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319155356	344.383	JAEVIQXZSMTBJJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094880
O=C(C1NCc2c1c[nH]n2)NCC1(CCOCC1)c1ccc(cc1)F	EMOLS-id_318861238	344.383	HXNXXGLMDLRAMF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094881
O=C([C@H]1NCc2n[nH]cc12)N1CCC([C@H](O)c2ccc(F)cc2)CC1	ZINC22_1775985351	344.383	XSUMWQDYPVGLSI-DLBZAZTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-094882
O=C([C@@H]1NCc2n[nH]cc12)N1CCC([C@H](O)c2ccc(F)cc2)CC1	ZINC22_1775985352	344.383	XSUMWQDYPVGLSI-IAGOWNOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094883
O=C([C@H]1NCc2n[nH]cc12)N1CCC([C@@H](O)c2ccc(F)cc2)CC1	ZINC22_1775985353	344.383	XSUMWQDYPVGLSI-IRXDYDNUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094884
O=C([C@@H]1NCc2n[nH]cc12)N1CCC([C@@H](O)c2ccc(F)cc2)CC1	ZINC22_1775985354	344.383	XSUMWQDYPVGLSI-SJORKVTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-094885
O=C(N1CCOC(C1)c1ccccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_101414209	344.383	HAWRHFMLKNTBQK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094886
O=C(Nc1ccc(OC2CCNCC2)cc1)c1cc2n(n1)C[C@H](F)C2	ZINC22_1875311107	344.383	NGYHLXBWBUVZCU-GFCCVEGCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094887
O=C(Nc1ccc(OC2CCNCC2)cc1)c1cc2n(n1)C[C@@H](F)C2	ZINC22_1875311108	344.383	NGYHLXBWBUVZCU-LBPRGKRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-094888
O=C(NCc1n[nH]c2c1CCC2)N1CCO[C@H](c2ccc(F)cc2)C1	ZINC22_426582764	344.383	GUHYAXWJVHFZQD-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094889
O=C(NCc1n[nH]c2c1CCC2)N1CCO[C@@H](c2ccc(F)cc2)C1	ZINC22_426582765	344.383	GUHYAXWJVHFZQD-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094890
O=C(N[C@@H]1CCn2ccnc12)N1CCC[C@H]1COc1ccc(F)cc1	ZINC22_895077330	344.383	JXRIDAFXRGIXIO-GOEBONIOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094891
O=C(N[C@H]1CCn2ccnc12)N1CCC[C@H]1COc1ccc(F)cc1	ZINC22_895077331	344.383	JXRIDAFXRGIXIO-HOCLYGCPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094892
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129584,MCULE-5943444116,PC-id_28860342	344.385	MKJGMVOZFHODCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094893
c1(NC(=O)C(=O)NCc2ccccc2)sc2c(CCC2)c1C(=O)O	ZINC22_6669368,EMOLS-id_4736974,PC-id_8034465,STOCK6S-08218,MCULE-8385819018	344.385	MMMDWCKAMOEDHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094894
COC(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_60001318,SCHEMBL8289693	344.385	YGELYHQHXGTTCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094895
NC(=O)c1ccc(NC(=O)COC(=O)c2cc3CCCc3s2)cc1	MCULE-6757389969,BindingDB_PC-id_4854898,BindingDB-id_165158,ZINC22_5308703,EMOLS-id_3466256,CoCoCo_2840974,PC-id_4854898	344.385	CPBRKBAJKVSYHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094896
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2)sc2c1CCC2	ZINC22_3398403,EMOLS-id_45707282,MCULE-3755493697,PC-id_2516876,NSC746252	344.385	WDQVNWKWOWCKEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094897
s1c2CCCc2cc1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	PC-id_85015420	344.385	UKNNOABMHKYTCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094898
s1c2CCCc2cc1C(=O)NN=Cc1c(OCC(=O)O)cccc1	PC-id_85015544	344.385	NPJUTQYFZCAYIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094899
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C(=O)OC	PC-id_24540825	344.385	HWBNZOMWMZPPJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094900
s1c2CCCc2cc1C(=O)OCc1oc(nn1)c1c(oc(c1)C)C	PC-id_8187341	344.385	FQIIBIRMKAZIJX-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-094901
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C(=O)N	PC-id_7291984	344.385	TZKWTLOFVYQSPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094902
s1c2CCCc2cc1C(=O)OCC(=O)Nc1oc(c(c1C#N)C)C	PC-id_24593271	344.385	CLZJVOCQVSSTRP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-094903
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)Nc1ccccc1	PC-id_8358895	344.385	GHLWKDRQVGYOTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094904
s1c2CCCc2cc1C(=O)OCC(=O)NNC(=O)c1ccccc1	PC-id_5217217	344.385	UGVBKASFSYESIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094905
s1c2c(CCC2)c(c1NC(=O)c1ccccc1)C(=O)NC(=O)OC	PC-id_7521426	344.385	HQJQPXQXVIRLTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094906
s1c2c(CCC2)c(c1NC(=O)C)C(=O)Nc1cc(ccc1)C(=O)O	PC-id_39164491	344.385	NQKBBKDBHUJIMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094907
s1c2c(CCC2)c(c1NC(=O)C)C(=O)Nc1ccc(cc1)C(=O)O	PC-id_39164493	344.385	BABXDIQDTSYHGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094908
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C=O)C(=O)N	PC-id_38898399	344.385	KQUWYIFXRNPKOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094909
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(oc(c1)C)C)C#N	PC-id_8860346	344.385	FKTLEOGEVPSNRD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-094910
s1c2CCCc2c(c1NC(=O)COC(=O)CCc1occc1)C#N	PC-id_8387906	344.385	GLNXVEQEUPYQFI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-094911
C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)c2nccn12	ZINC22_333164792	344.387	IBIASRUNZXBIPG-GXTWGEPZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094912
C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)c2nccn12	ZINC22_333164793	344.387	IBIASRUNZXBIPG-JSGCOSHPSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094913
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)c2nccn12	ZINC22_333164794	344.387	IBIASRUNZXBIPG-OCCSQVGLSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094914
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)c2nccn12	ZINC22_333164795	344.387	IBIASRUNZXBIPG-TZMCWYRMSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094915
CC(=O)NCCN(S(=O)(=O)c1cnc2n1CCC2)C(C(=O)O)C	PC-id_120399034,EMOLS-id_72225646,MCULE-5897213212	344.387	TWTPVKCZVIEHMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094916
COCCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959821	344.387	NJYLMCQBIQYHFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094917
Fc1ccc(nc1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	MCULE-1228934906,EMOLS-id_101420343	344.387	IBIASRUNZXBIPG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094918
Fc1cc(NC(=O)N2Cc3c(C2)c(n(n3)C)N)cc(c1)N1CCCC1	EMOLS-id_319856407	344.387	HDZHCZREXGTYRU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094919
O=C(c1oc2c(n1)CN(C2)S(=O)(=O)C)NCCN1CCOCC1	PC-id_97525818	344.387	NWEQYRMYMLPSLP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-094920
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)F)N1CCCC1	EMOLS-id_319667033	344.387	SKZUYQKUQKURPI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-094921
O=C(N1CCN(CC1)c1ncccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_101418816	344.387	VMECLHMDVZUILA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-094922
O=C(NCc1nnc2n1CCC2)N1CCN(c2ccc(F)cc2)CC1	CoCoCo_4574127,EMOLS-id_31871621,MCULE-5538753610,PC-id_45803865,ZINC22_40487715	344.387	WKXYJLIMXCWWNO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094923
c1(C(=O)Nc2sc3c(CCC3)c2C#N)n(C)nc(C(=O)OCC)c1	ZINC22_2735901,EMOLS-id_4023217,MCULE-2062009301,PC-id_4765158,TIMTEC129544,CoCoCo_5808800	344.388	DQFQBIATIYZVSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094924
c1(NC(=O)c2nn(c(C(=O)OCC)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_4023201,MCULE-7005144609,TIMTEC69085,CoCoCo_5811189,ZINC22_373705,PC-id_843003	344.388	BAXAJRAPPPURAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-094925
c1(NC(=O)C(=O)NCc2ccccn2)sc2c(CCC2)c1C(=O)N	MCULE-3290879448,ZINC22_6672721,PC-id_17584556,STOCK6S-13602,EMOLS-id_4744975	344.388	FCOMUEORUCESPH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094926
c1(NC(=O)C(=O)NCc2cccnc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_4740662,PC-id_17583592,ZINC22_6671793,STOCK6S-10702,CoCoCo_1105427,MCULE-5061069360	344.388	ULHJRKBIPHUFJS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094927
c1(NC(=O)C(=O)NCc2ccncc2)sc2c(CCC2)c1C(=O)N	ZINC22_6662570,MCULE-8785118478,PC-id_8030996,EMOLS-id_4735844,STOCK6S-07476	344.388	JGSRMDYQCPXADG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-094928
Cc1nc(COCc2oc3CN(Cc3n2)C(=O)c2ccc[nH]2)cs1	CHEMBL3554488,PC-id_97406055	344.388	IBSRJTUWHKCJHU-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-094929
CCC(CC)c1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324851946	344.388	WGWKDFIUUNGAHM-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-094930
CCC(CC)c1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324852975	344.388	UQUPMWNXHLKRNW-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-094931
CCC(CC)c1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324853987	344.388	GCUCUPLUUZHEMA-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-094932
COc1cc(C)ccc1OCC(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_36708864,ZINC22_69739409,PC-id_53600303,MCULE-3616626989	344.388	BZAVYCYXXAEBLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094933
n12c(=O)c(=Cc3ccccc3N(=O)=O)sc1nc(C(CC)CC)n2	MCULE-4046883402	344.388	GCUCUPLUUZHEMA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094934
n12c(=O)c(=Cc3ccc(cc3)N(=O)=O)sc1nc(C(CC)CC)n2	MCULE-8742659237	344.388	WGWKDFIUUNGAHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094935
n12c(=O)c(=Cc3cccc(c3)N(=O)=O)sc1nc(C(CC)CC)n2	MCULE-9333106897	344.388	UQUPMWNXHLKRNW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-094936
O=C(Nc1nc2c(s1)CCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1	PC-id_17429564,EMOLS-id_12011140,CoCoCo_4164246,ZINC22_8720834,MCULE-2503211676	344.388	IPEJVYIKEHSNLO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-094937
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCC(=O)N	PC-id_16947172	344.388	QRJCEFUBVTVRGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094938
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCCNC(=O)C	PC-id_22976074	344.388	PZNQHPSMLIIQIF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094939
O=C(CCc1nc(c2ccsc2)no1)NCc1nnc2n1CCC2	EMOLS-id_29677606,PC-id_45802303,MCULE-9756519896,ZINC22_40480514,CoCoCo_4474389	344.392	GGSVMQHHBWFDPW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-094940
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)NC1CC1	TIMTEC153876,ZINC22_13328823,MCULE-8563429524,CoCoCo_6843985,PC-id_17172892,EMOLS-id_14315569	344.403	FRHWKEBJSPIMQA-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-094941
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NC	MCULE-2145600822	344.403	LGEHCPAJLFPESQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094942
c1(NC(=O)C=Cc2cccc(F)c2)sc2c(CCC2)c1C(=O)NC	MCULE-5749407379	344.403	PAUBEJXUZVVEBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094943
CNC(=O)c1c(NC(=O)/C=C/c2cccc(F)c2)sc2CCCc12	EMOLS-id_334334674	344.403	PAUBEJXUZVVEBU-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094944
CNC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2CCCc12	EMOLS-id_334330582	344.403	LGEHCPAJLFPESQ-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094945
Fc1ccc(cc1)C(=O)N1CCc2c1cc(s2)C(=O)N1CCCC1	PC-id_97524493	344.403	VLQKXAGJVSZIIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094946
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCC1CC1	PC-id_97442326,ZINC22_96146799,EMOLS-id_44303572	344.403	DRFZSNBMKDNIIY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-094947
S1(=O)(=O)c2sc(c(c2C(=C1C(=O)OCC)C)C)C(=O)OCC	PC-id_46854486	344.403	OMDKFPIXEGFNLW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-094948
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2OC)OC)n1	MCULE-3797441256,EMOLS-id_330997243	344.405	XFKQQZDOVCVJNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094949
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(OC)c2)OC)n1	MCULE-4245922694,EMOLS-id_330996987	344.405	ZMOBLJAGQBCSTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094950
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1OC)OC	MCULE-7432766647,EMOLS-id_330977975	344.405	UESKRYGHKZQGOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094951
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)OC	EMOLS-id_330977719,MCULE-9629107282	344.405	OJJQCOKBWXIDLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094952
CCOc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2(CC)C(=O)O	SCHEMBL10646024,PC-id_70411646	344.405	BDTIWUMSMKMHAE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094953
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)OCC)C	PC-id_70410508,SCHEMBL10641721	344.405	YNUHMYKRRRUGJV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-094954
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1CO	EMOLS-id_330991038,MCULE-7233658322	344.405	LQYZMCBBMURRAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094955
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(CO)(CO)CO	EMOLS-id_328221557,MCULE-1772408888	344.405	GMAULRWDROPSRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094956
Cc1ccc(cc1)NCC1Cn2c(C1=O)ccc2C(=O)c1ccccc1	PC-id_53640758,SCHEMBL8829535	344.406	AFWIXIPFPRDARE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094957
Cc1ccccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31548216,MCULE-7685395258,PC-id_46861259	344.406	KQEUQENYAQMLDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094958
Cc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364417,PC-id_52340368	344.406	KQEUQENYAQMLDM-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094959
Cc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364418,PC-id_52340369	344.406	KQEUQENYAQMLDM-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094960
Cc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	MCULE-7073661124,EMOLS-id_31548218,PC-id_46861260	344.406	FJBOOSCFBFRCFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094961
Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340371,ZINC22_51364420	344.406	FJBOOSCFBFRCFM-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094962
Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364419,PC-id_52340370	344.406	FJBOOSCFBFRCFM-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094963
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)N(c1ccccc1)C	SCHEMBL7872119,PC-id_9841072	344.406	HNBNOEZACDXYAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094964
O=C(NCc1ccccc1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_86065757	344.406	MXTXZNNVOICUGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-094965
c12CN(Cc1cnn2CCO)C(=O)c1ccc(c(OCCCN)c1)C	MCULE-7371781272,EMOLS-id_68897389,PC-id_118773717,ZINC22_299775736	344.408	IEPMFCWOHVRSJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094966
C1CCCN(CC1)C(CNC(=O)c1nn2CCOc2c1)c1ccco1	PC-id_91959827	344.408	MXNWJVSVLLOWCH-UHFFFAOYSA-N	00000010101000000101000010000000000000000000000000000000	25-01-094967
c1(CN(Cc2ccco2)C(=O)N2CCOCC2)c2CCCc2n(C)n1	MCULE-9625699110,PC-id_86266547,EMOLS-id_50145268	344.408	KZBHLYKGHNRQMX-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-094968
c1(CN(C)C(=O)NCc2ccc(cc2OC)OC)c2CCCc2[nH]n1	EMOLS-id_82704693,ZINC22_426394753,PC-id_119060385,MCULE-5842978389	344.408	WVWNWISEGDINIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094969
c1(CNC(=O)NCc2ccc(OC)c(OC)c2)c2CCCc2nn1C	EMOLS-id_53884695,PC-id_91819413,MCULE-2098992456,ZINC22_225818749	344.408	MZHHCGNCOORNDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094970
c1(C(=O)NCCCOC(C)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-5305590429,EMOLS-id_316326194	344.408	VISDCZLOEUZUFW-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094971
CC1CCN(CC1)C(CNC(=O)c1nn2CCOc2c1)c1ccco1	PC-id_91959829	344.408	DVAMUTASSHDWGX-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-094972
Cc1[nH]c(C(=O)Nc2c3c(nn2C)CCC3)c(C)c1C(=O)OC(C)C	ZINC22_58363181,MCULE-2735318203,PC-id_47794575,EMOLS-id_33313659	344.408	VJGMUOPJHPIKIX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-094973
Cc1nnc2n1C[C@@H](CNC(=O)c1cc(O)cc(OCC(C)C)c1)C2	ZINC22_1772704314	344.408	AKRAUIGHIKFPTG-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094974
Cc1nnc2n1C[C@H](CNC(=O)c1cc(O)cc(OCC(C)C)c1)C2	ZINC22_1772704322	344.408	AKRAUIGHIKFPTG-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094975
CCc1ccc(CN2Cc3c(C(=O)N4CCOCC4)nn(C)c3C2)o1	ZINC22_96187553,PC-id_97462011	344.408	AHLBKWGQSVOMMF-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-094976
CC(C)COc1cc(O)cc(c1)C(=O)NCC1Cc2nnc(C)n2C1	PC-id_137335816,EMOLS-id_317462171,MCULE-7255978051	344.408	AKRAUIGHIKFPTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094977
CCOc1cc(ccc1OCC)C(=O)NC(c1nnc2n1CCC2)C	MCULE-7903171218,PC-id_45819108,EMOLS-id_31936122	344.408	WKMPULRIZYLKIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094978
CCOc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc1OCC	PC-id_94024407,ZINC22_44934475	344.408	WKMPULRIZYLKIE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094979
CCOc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc1OCC	ZINC22_44934478,PC-id_94024408	344.408	WKMPULRIZYLKIE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094980
CCOCc1cc(ccc1OC)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_31936140,PC-id_45819116,MCULE-2156111223	344.408	NJYYTFFJRBNGSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094981
CCOCc1cc(C(=O)N[C@H](C)c2nnc3n2CCC3)ccc1OC	CoCoCo_4879926,PC-id_93615678,ZINC22_40522720	344.408	NJYYTFFJRBNGSP-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094982
CCOCc1cc(C(=O)N[C@@H](C)c2nnc3n2CCC3)ccc1OC	PC-id_93615677,ZINC22_40522717,CoCoCo_4879927	344.408	NJYYTFFJRBNGSP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094983
CC(OCCCNC(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)C	MCULE-5240915374	344.408	VISDCZLOEUZUFW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-094984
COc1ccc(cc1)Cn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)N	SCHEMBL19358333	344.408	RRPWINJSCLTECG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094985
COc1cccc(c1)COC(C(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_35709720,MCULE-8932931145,PC-id_53500800	344.408	ZXYBEQRJYMPVBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094986
COc1cccc(c1)COC(C(=O)NC(c1nnc2n1CCC2)C)C	PC-id_45823544,EMOLS-id_31957699,MCULE-2500931353	344.408	PCQJIGBLSQPPAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094987
COc1cccc(c1)COC(C(=O)NCCc1nnc2n1CCC2)C	MCULE-3661190579,PC-id_60452350,EMOLS-id_50558208	344.408	ROJGMISKKPYGBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094988
COc1ccccc1N1CCN(CC1)Cn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_54055023,PC-id_54055023	344.408	LVQFRSXUJYYCIN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-094989
COc1ccc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1OC	ZINC22_44934418,PC-id_94024389	344.408	NHFILFLKIGKYJM-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094990
COc1ccc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)cc1OC	ZINC22_44934421,PC-id_94024390	344.408	NHFILFLKIGKYJM-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094991
COc1cccc(CO[C@@H](C)C(=O)N(C)Cc2nnc3n2CCC3)c1	PC-id_94112917,ZINC22_46787677	344.408	ZXYBEQRJYMPVBM-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094992
COc1cccc(CO[C@H](C)C(=O)N(C)Cc2nnc3n2CCC3)c1	PC-id_94112918,ZINC22_46787678	344.408	ZXYBEQRJYMPVBM-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094993
COc1cccc(CO[C@@H](C)C(=O)NCCc2nnc3n2CCC3)c1	PC-id_95627060,ZINC22_71906582	344.408	ROJGMISKKPYGBK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094994
COc1cccc(CO[C@H](C)C(=O)NCCc2nnc3n2CCC3)c1	ZINC22_71906583,PC-id_95627061	344.408	ROJGMISKKPYGBK-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094995
COc1cccc(CO[C@@H](C)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1	CoCoCo_4902414,PC-id_93617966,ZINC22_40533992	344.408	PCQJIGBLSQPPAO-STQMWFEESA-N	00000010100000110001000010000000000000000000000000000000	25-01-094996
COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1	PC-id_93617964,ZINC22_40533988,CoCoCo_4902411	344.408	PCQJIGBLSQPPAO-QWHCGFSZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094997
COc1cccc(CO[C@@H](C)C(=O)N[C@H](C)c2nnc3n2CCC3)c1	PC-id_93617967,CoCoCo_4902413,ZINC22_40533994	344.408	PCQJIGBLSQPPAO-OLZOCXBDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094998
COc1cccc(CO[C@H](C)C(=O)N[C@H](C)c2nnc3n2CCC3)c1	ZINC22_40533990,CoCoCo_4902412,PC-id_93617965	344.408	PCQJIGBLSQPPAO-CHWSQXEVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-094999
COc1cc(CCC(=O)NC(c2nnc3n2CCC3)C)ccc1OC	EMOLS-id_31936094,MCULE-9002788353,PC-id_45819096	344.408	NHFILFLKIGKYJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095000
COc1cc(CCC(=O)NC(c2nnc3n2CCC3)C)cc(c1)OC	PC-id_45804918,EMOLS-id_31875228,MCULE-7222120610	344.408	COFYEETVEYIOSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095001
COc1cc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)cc(OC)c1	CoCoCo_4622719,ZINC22_40488990,PC-id_93608671	344.408	COFYEETVEYIOSG-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095002
COc1cc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc(OC)c1	ZINC22_40488989,PC-id_93608670,CoCoCo_4622720	344.408	COFYEETVEYIOSG-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095003
O=C(c1ccco1)N1Cc2c(C1)n(nc2CN1CCOCC1)C(C)C	PC-id_97405380	344.408	ZEZHAVPWYLDBPN-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-095004
O(CC1N(Cc2c1[nH]nc2N)C(=O)OC(C)(C)C)Cc1ccccc1	PC-id_68443239,SCHEMBL2925417	344.408	OMZXXIPTJOFVIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095005
O=C(C(C(O)(C)C)Oc1ccccc1)N(Cc1nnc2n1CCC2)C	EMOLS-id_318278224	344.408	ISPUPBDDKMKTSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095006
OCCn1ncc2c1CN(C2)C(=O)C1CCN(CC1)Cc1ccco1	PC-id_56739564,EMOLS-id_36566569,MCULE-8534892089	344.408	OCWCRJKHVPXCJZ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-095007
C1c2c(CN1Cc1ccccc1)[nH]nc2NC(=O)C=Cc1ccccc1	PC-id_87455594,SCHEMBL2920558	344.41	MWIBUQMUTWBAIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095008
c1(C(=O)NN=C(C)c2ccc(cc2)c2ccccc2)c2CCCc2[nH]n1	PC-id_946282,MCULE-9882909818,EMOLS-id_26193525	344.41	IFHZTSNALLTVEQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095009
C/C(=N/NC(=O)c1[nH]nc2c1CCC2)/c1ccc(cc1)c1ccccc1	CoCoCo_3823095,CoCoCo_3823097,PC-id_5821497	344.41	IFHZTSNALLTVEQ-HMAPJEAMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095010
C/C(=NNC(=O)c1n[nH]c2c1CCC2)/c1ccc(cc1)c1ccccc1	STOCK3S-42163,CoCoCo_3823096,PC-id_5424036,CoCoCo_3823094,EMOLS-id_206994578	344.41	IFHZTSNALLTVEQ-HYARGMPZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095011
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)/C=Cc1ccccc1	SCHEMBL2920553	344.41	MWIBUQMUTWBAIL-QXMHVHEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095012
c1(cc(nn1C1CCCC1)C)NC(=O)N1Cc2c(n(nc2)CCO)C1	ZINC22_95508723,PC-id_72875395,MCULE-7549717216,EMOLS-id_48632810	344.411	UNWCKOICAQXQII-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095013
c1(C(=O)N2CCC(CC2)Cc2n[nH]c(=O)n2CC)c2CCCc2[nH]n1	EMOLS-id_43113185,ZINC22_71746192,MCULE-6658244476,PC-id_56869164	344.411	LLGQAQGIBXIUSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095014
Cc1c(c(=O)[nH]c(n1)C(C)(C)C)C(=O)NCCc1nnc2n1CCC2	PC-id_137212962	344.411	CEVCFSKBWPDKCA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-095015
CC(C)n1cc([C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)C2)nn1	ZINC22_285031047	344.411	VMWDRUKEHXWEMO-KRWDZBQOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095016
CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)C2)nn1	ZINC22_285031055	344.411	VMWDRUKEHXWEMO-QGZVFWFLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095017
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1cc[nH]n1)C2	EMOLS-id_313734613,ZINC22_1565554207	344.411	UCWACSFMLOAPQU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095018
CC(C)Oc1ncccc1CNC(=O)N(C)Cc1nnc2n1CCC2	MCULE-3797162397,EMOLS-id_35720424,ZINC22_65447403,PC-id_53505652	344.411	YOMWRJHYWNIZAF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-095019
CCn1c([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)nn(C)c1=O	PC-id_95213379,ZINC22_67805291	344.411	PJRABBJHTSLJNP-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095020
CCn1c([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)nn(C)c1=O	ZINC22_67805292,PC-id_95213380	344.411	PJRABBJHTSLJNP-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-095021
CCn1c(nn(C)c1=O)C1CCCN(C1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_36452471,MCULE-5825268135,PC-id_56716086	344.411	PJRABBJHTSLJNP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095022
CCNC(=NCc1nnc2n1CCC2)Nc1ccc(c(c1)OC)OC	PC-id_109572507	344.411	AUPZBPSYFRBJIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095023
CCOc1ccc(cc1NC(=NCc1nnc2n1CCC2)N)OCC	PC-id_111039279	344.411	YBFWBDLTCVMYEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095024
CCOc1cc(ccc1OC)NC(=NC)NCc1nnc2n1CCC2	PC-id_109579107	344.411	YWYPLOVMTRHTCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095025
CCOc1ccc(cc1OC)NC(=NC)NCc1nnc2n1CCC2	PC-id_109582085	344.411	HFKDOWPYBKDRBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095026
CN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@@H]1c1ccnn1C	MCULE-7692830929,EMOLS-id_316092739,ZINC22_886027115	344.411	GDYUAMNMJJCDTJ-HOTGVXAUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095027
CN1CCO[C@@H](CNC(=O)c2cnn3c2CCC3)[C@@H]1c1ccnn1C	MCULE-1459098649,EMOLS-id_316101446,ZINC22_886055397	344.411	AAOMBMVNALRQAT-HOTGVXAUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095028
CN1CCO[C@@H](CNC(=O)c2cnn3c2CCC3)[C@@H]1c1cncn1C	MCULE-8262453885,EMOLS-id_316090688,ZINC22_952852905	344.411	OJFJOCCWPJAEIA-HOTGVXAUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095029
CN1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1ccnn1C	EMOLS-id_316093261,ZINC22_886079642,MCULE-9032180545	344.411	ODLCUAWGIMJTRZ-HOCLYGCPSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095030
CN1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1cncn1C	EMOLS-id_316088642,ZINC22_952852521,MCULE-5236334491	344.411	DQGYPOCCYJBTJB-HOCLYGCPSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095031
Cn1c(N2CC[C@@H](NCc3cnc4n3CCC4)C2)cc(=O)n(C)c1=O	ZINC22_1875397850,MCULE-6374415678,PC-id_146112223,EMOLS-id_323994330	344.411	QLTVGTXZMBXPJQ-GFCCVEGCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-095032
CN=C(NCc1nnc2n1CCC2)NCc1ccc(c(c1)OC)OC	PC-id_111020247	344.411	ACMZALNUWDNAQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095033
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OC)OC	PC-id_111020615	344.411	YFRCNMDXIIULCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095034
CN=C(NCc1nnc2n1CCC2)NCCOc1ccc(cc1)OC	PC-id_111020327	344.411	FWEFUKNUOWPQOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095035
n1c(CNc2cc(C3CCOC3)nc(NCCO)n2)c2c(CCC2)[nH]1	MCULE-3527467552,PC-id_119064735,EMOLS-id_82716397	344.411	GLDDPVVKXZZKLR-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-095036
o1nc(nc1[C@H]1N(CCC1)C(=O)Nc1n(nc2c1CCC2)C)C(C)C	PC-id_72892770	344.411	VTHJXMYYLGSLTE-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095037
O=c1cc(N2CC[C@@H](C2)NCc2cnc3n2CCC3)n(c(=O)n1C)C	MCULE-6798252332,PC-id_145911409,EMOLS-id_324001501	344.411	QLTVGTXZMBXPJQ-LBPRGKRZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-095038
O=C(c1cccn1CCN1CCOCC1)NC1CC(n2c1ncn2)C	EMOLS-id_316600457	344.411	YSNJNAUGADTPRW-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-095039
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)(O)c1nnn(c1)C(C)C	MCULE-8170229581,EMOLS-id_316032357	344.411	VMWDRUKEHXWEMO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095040
OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NCc2n[nH]c3c2CCC3)[nH]1	ZINC22_426489503	344.411	GLDDPVVKXZZKLR-LLVKDONJSA-N	00000010100000100001100010000000000000000000000000000000	25-01-095041
OCCN=c1[nH]c([C@H]2CCOC2)cc(=NCc2n[nH]c3c2CCC3)[nH]1	ZINC22_426489504	344.411	GLDDPVVKXZZKLR-NSHDSACASA-N	00000010100000100001100010000000000000000000000000000000	25-01-095042
c1(C(=O)NCc2nnc3CCCn23)cn(nn1)CCC1CCCCN1	EMOLS-id_44426595,MCULE-5526948515,PC-id_70713530	344.415	DKNYXDBRUJQMSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095043
c1(NC(=O)c2csc(c3ncccn3)n2)n(C)nc2CSCc12	ZINC22_1529104208,EMOLS-id_316183727,MCULE-7554458026,PC-id_134697845	344.415	MBKBLYCQGGXVMQ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-095044
Cc1nnc2CC(CNC(=O)c3cn(nn3)[C@@H]3CC[C@H](N)CC3)Cn12	EMOLS-id_317508997,MCULE-5039295184	344.415	ATDCSPMGBQKIJO-YHWZYXNKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095045
Cc1nnc2n1CC(C2)CNC(=O)c1cn(nn1)C1CCC(CC1)N	PC-id_137341011	344.415	ATDCSPMGBQKIJO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095046
Cc1nnc2n1C[C@H](CNC(=O)c1cn([C@H]3CC[C@@H](N)CC3)nn1)C2	ZINC22_1772706297	344.415	ATDCSPMGBQKIJO-RWMBFGLXSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095047
Cc1nnc2n1C[C@@H](CNC(=O)c1cn([C@H]3CC[C@@H](N)CC3)nn1)C2	ZINC22_1772706311	344.415	ATDCSPMGBQKIJO-UPJWGTAASA-N	00000010100010000001100010000000000000000000000000000000	25-01-095048
Cc1nn(C)c2sc(C(=O)Nc3nc4n(c3C#N)CCS4)cc12	EMOLS-id_42894987,ZINC22_72287802,PC-id_72132825,MCULE-2602974571	344.415	BTFNGWAFWPDQQV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-095049
CN=C(N1CCN(CC1)Cc1nocc1)NCc1nnc2n1CCC2	PC-id_120053922	344.415	RJATUHRSOKUPOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095050
O=C(NCc1nnc2n1CCC2)c1cn(CC[C@H]2CCCCN2)nn1	PC-id_96572379,ZINC22_82092645	344.415	DKNYXDBRUJQMSZ-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095051
O=C(NCc1nnc2n1CCC2)c1cn(CC[C@@H]2CCCCN2)nn1	ZINC22_82092644,PC-id_96572378	344.415	DKNYXDBRUJQMSZ-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095052
c12CN(Cc1nn(CC1CCCCC1)c2CN(C)C)CC(F)(F)F	EMOLS-id_324352101,MCULE-9294687162	344.418	DXXFGUCTNUDPOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095053
COc1ccc(cc1)C(=O)c1c(C)sc2c1CCC2CCC(=O)O	PC-id_20213628,SCHEMBL10744085	344.425	QSNFYTDXKYPFES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095054
COc1cccc(c1)C(=O)c1c(C)sc2c1CCC2CCC(=O)O	PC-id_20213642,SCHEMBL10747457	344.425	CPCBDRVBDONMNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095055
C[C@@H]1O[C@H](C)CN(C1)c1cc(NCc2cnc3n2CCC3)cc(c1)F	MCULE-4165903886,EMOLS-id_319872742	344.426	QEZGBRYCYWYCSL-OKILXGFUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095056
Fc1ccc(cc1)CC1(CCCC1O)CNC1CC(n2c1ncn2)C	MCULE-7639918399,EMOLS-id_258183852	344.426	HYWMPSKWJVWRJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095057
Fc1ccc(cc1)C(N1CCOCC1)CNCc1cnc2n1CCC2	EMOLS-id_318392328	344.426	GKFXRXQTXLYPTN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095058
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(F)cc1)C)C#N	PC-id_2658849	344.426	BHZBCXZJVPPGIF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-095059
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(F)ccc1)C)C#N	PC-id_8083883	344.426	OEWDOTHJMASTHH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-095060
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(F)cccc1)C)C#N	PC-id_8112074	344.426	ZTTMRNABWBGJBJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-095061
s1c2CCCc2nc1NC(=O)c1sc(c2ccc(F)cc2)cc1	PC-id_33040031	344.426	XFDMJGJSFLGDHA-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-095062
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)NC1CCCC1	EMOLS-id_13331561,TIMTEC265522,PC-id_17173348,ZINC22_13329156,CoCoCo_1073848,MCULE-2800393562	344.428	KLUANJOEUOTILI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-095063
c1(c2CCCc2sc1NC(=O)CC)C(=O)Nc1ccccc1OC	ChEMBL-DNDi_CHEMBL5680356,EMOLS-id_2093537,ZINC22_432701,CoCoCo_680645,PC-id_867938,CK1648256,Chemmine_27867,MCULE-7069295349	344.428	NOLZIHBLOKNDAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095064
c1(c2CCCc2sc1NC(=O)CC)C(=O)Nc1ccc(cc1)OC	CK1376740,Chemmine_25706,EMOLS-id_2092026,MCULE-7416632805,CoCoCo_677922,ZINC22_2914949,PC-id_2256469	344.428	GAEPISVOBRPGRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095065
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccc(cc1)OCC	CoCoCo_138023,MCULE-6251497844,ZINC22_127217,PC-id_722809,EMOLS-id_1280356	344.428	ANARYVDHHFOKFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095066
c1(cccc(C)c1N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328172557,MCULE-9044336039	344.428	QHXRPJQUCWDIOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095067
c1(NC(=O)C2CCC2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9280290294,EMOLS-id_334336686	344.428	VEWQICWYQKGGBU-UHFFFAOYSA-N	00001010101000000000000010000000000000000000000000000000	25-01-095068
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCC2)c1C#N	MCULE-5034312760,TIMTEC174086,EMOLS-id_4023366,PC-id_3617608	344.428	GNXSJHRLGPQJHL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095069
c1(NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_4023392,TIMTEC443290,SPECS-id_AN-153/I293179,PC-id_959567,CoCoCo_6449728,MCULE-8448755805,ZINC22_568595,SPECS-id_AP-970/41728694	344.428	SCHNOIMNUSPEAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095070
c1(NC(=O)c2ccc(cc2)OCCC)sc2c(CCC2)c1C(=O)N	TIMTEC478399,SPECS-id_AN-153/I293077,CoCoCo_6461698,MCULE-8186842110,PC-id_4503193,ZINC22_6265020,SPECS-id_AP-970/41728693,EMOLS-id_4023384	344.428	UJHVIVBMYWBIHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095071
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_16349155,MCULE-1639482932,CoCoCo_2590288,ZINC22_5055730,PC-id_7475029	344.428	USTHDHCNYZNVQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095072
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)NC	MCULE-2585883199,EMOLS-id_334332882	344.428	VCSSDVFLUCLCDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095073
c1(NC(=O)c2cccc(OCCC)c2)sc2c(CCC2)c1C(=O)N	PC-id_4503188,TIMTEC539554,ZINC22_6265132,MCULE-6720096457,SPECS-id_AN-153/I293175,EMOLS-id_4023368,CoCoCo_6449725,SPECS-id_AN-153/41728687	344.428	WZSWRBVWHHEALK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095074
c1(NC(=O)c2cccc(OC(C)C)c2)sc2c(CCC2)c1C(=O)N	ZINC22_568596,SPECS-id_AP-970/41728689,PC-id_959568,SPECS-id_AN-153/I293079,MCULE-3054995050,TIMTEC449214,CoCoCo_6461700,EMOLS-id_4023364	344.428	SIVMJNJVHUDDFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095075
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348302,PC-id_8719657,MCULE-9079800669	344.428	SNONWMWFUCXSAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095076
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334335953,MCULE-6874014232	344.428	NZYFXJDBNVPOHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095077
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	PC-id_19221051,MCULE-4137212732	344.428	XHIQLIXRPBWDJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095078
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)n1	MCULE-1954981620	344.428	ZWICYVLXMSJRSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095079
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-7182353359,PC-id_84415974,EMOLS-id_181348308	344.428	PJDUUESSJRPQKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095080
c1(NC(=O)CNc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-3495791425,CoCoCo_779128,ZINC22_453276,PC-id_882285,EMOLS-id_2395846	344.428	RQEZJHAPAOIJGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095081
c1(NC(=O)CNCc2ccccc2)sc2c(CCC2)c1C(=O)OC	ZINC22_36646061,CoCoCo_6964815,MCULE-3575976510,EMOLS-id_30081148,PC-id_44216485,SPECS-id_AO-476/43417052	344.428	CYADAOXSYHNNSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095082
c1(NC(=O)CN(C)Cc2ccccc2)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130994,MCULE-3174200292,PC-id_28866158	344.428	YCOJVUGSFFFVTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095083
c1(NC(=O)CN(CC)c2ccccc2)sc2c(CCC2)c1C(=O)O	PC-id_28866194,MCULE-7261158567,EMOLS-id_179131015	344.428	NOHYHZZMNFGAAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095084
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)N	CK1569537,CoCoCo_211566,Chemmine_25489,BAS-01835879,MCULE-2340014524,EMOLS-id_1132834,ChEMBL-DNDi_CHEMBL4491-0171,PC-id_698918,ZINC22_76862	344.428	ZYGCLXGCXWSCPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095085
c1(NC(=O)COc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)N	EMOLS-id_1487504,MCULE-8672176732,CoCoCo_356250,TIMTEC456565,ZINC22_2052478,BAS-06863082,PC-id_1718388	344.428	SRARMMCQEYIEDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095086
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)c1C(=O)N	MCULE-6224839629,PC-id_19175737	344.428	CGAQIROCSOGCPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095087
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)N	CoCoCo_178918,SCHEMBL8290601,PC-id_675170,BAS-01220366,EMOLS-id_1319414,MCULE-8641345764,ZINC22_37923	344.428	FRQIUMINUDQFQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095088
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)N	CoCoCo_346157,EMOLS-id_1477648,BAS-06177270,SPECS-id_AN-153/I181385,SPECS-id_AK-968/41017832,ZINC22_568717,MCULE-1151642244,PC-id_959655	344.428	HPPHUGKFHIYHJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095089
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)N	MCULE-1295184443,ZINC22_4739328,PC-id_2996418,EMOLS-id_2536802,CoCoCo_1029507	344.428	UJCGSKCRZAPYLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095090
c1(NC(=O)COc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)N	PC-id_19167165,EMOLS-id_181348337,MCULE-6028863079	344.428	WNIXUPZXRRQDKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095091
c1(NC(=O)COc2cccc(CC)c2)sc2c(CCC2)c1C(=O)N	MCULE-7583858448,PC-id_19177263,EMOLS-id_181348342	344.428	FXTOFMZHSSBFCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095092
c1(NC(=O)COc2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/I224147,EMOLS-id_1487506,BAS-06863083,CoCoCo_356251,ZINC22_568716,SPECS-id_AG-670/41728626,PC-id_959654,MCULE-3945267255	344.428	WKDGHPWPCGDIGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095093
c1(NC(=O)COCc2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-8132305473,EMOLS-id_334333649	344.428	FGZVAXURSJCMHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095094
c1(NC(=O)Nc2ccccc2C)sc2c(CCC2)c1C(=O)OCC	MCULE-4817155178,PC-id_19165601	344.428	ADQUNYUKOCAURR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095095
c1(NC(=O)Nc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-6310298671,PC-id_19165566	344.428	SFGHSVWYEBSQBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095096
c1(NC(=O)NCCc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-2861783438,PC-id_8073964,EMOLS-id_4754203,STOCK6S-19464,ZINC22_6764650	344.428	ZUOWVWXKMODYKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095097
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(=O)O)C1	PC-id_40514783,CoCoCo_1849796,ZINC22_213896	344.428	GNXSJHRLGPQJHL-STQMWFEESA-N	00000010100011000000000010000000000000000000000000000000	25-01-095098
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C(=O)O)C1	ZINC22_213893,CoCoCo_1849799,PC-id_40514780	344.428	GNXSJHRLGPQJHL-CHWSQXEVSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095099
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(=O)O)C1	ZINC22_213897,PC-id_40514785,CoCoCo_1849798	344.428	GNXSJHRLGPQJHL-OLZOCXBDSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095100
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1	CoCoCo_1849797,ZINC22_213890,PC-id_40514778	344.428	GNXSJHRLGPQJHL-QWHCGFSZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095101
Cc1noc(C)c1CC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170377,MCULE-6825722527,ZINC22_333610544	344.428	GSIYKWJWZHUYSB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095102
CCc1noc(c1C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)C	EMOLS-id_101168469	344.428	KXRWSSQMRFKNPU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095103
C=CCc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(OC)c1OC	ZINC22_14018302,EMOLS-id_11953844,CoCoCo_4338738,PC-id_17416970,MCULE-1278282636	344.428	ABYPSGNPZYZCCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095104
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1cccnc1	EMOLS-id_331242329	344.428	KUQHVAOXLQODTH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095105
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccncc1	EMOLS-id_331242585	344.428	WUVXMPKZZSISBU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095106
CCCOc1cccc(c1)C(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-9197949318,EMOLS-id_44130084,CoCoCo_4937725,PC-id_45909093	344.428	WPXFKGKEJYTXMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095107
CCOc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1OC	PC-id_84560031,EMOLS-id_181474968	344.428	ZWICYVLXMSJRSM-CSKARUKUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095108
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc2n1CCS2)C	PC-id_20270345,SCHEMBL10995963	344.428	UXVWXOMCNLMQPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095109
CCOC(=O)c1c(NC(=O)c2cc(C)ccc2N)sc2CCCc12	MCULE-5781250243,EMOLS-id_328138534	344.428	KTXDJMJUGKDHCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095110
CCOC(=O)c1c(NC(=O)c2ccc(C)c(N)c2)sc2CCCc12	MCULE-9026310578,EMOLS-id_328023191	344.428	UITHPNKCGILUCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095111
CCOC(=O)c1c(NC(=O)c2ccc(CN)cc2)sc2CCCc12	MCULE-7409540003,EMOLS-id_327964496	344.428	UJQDJBMEQJXTJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095112
CCOC(=O)c1c(NC(=O)c2ccc(NC)cc2)sc2CCCc12	EMOLS-id_328040076,MCULE-6828340233	344.428	OJVKVELSJOVNHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095113
CCOC(=O)c1c(NC(=O)c2ccc(N)c(C)c2)sc2CCCc12	MCULE-8312289817,EMOLS-id_328058559	344.428	LNYLEBWWVNGIET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095114
CCOC(=O)c1c(NC(=O)Cc2ccccc2N)sc2CCCc12	MCULE-9748467860,EMOLS-id_328161103	344.428	YVINSSDCLXGFHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095115
CCOC(=O)c1c(NC(=O)Cc2cccc(N)c2)sc2CCCc12	MCULE-8233595030,EMOLS-id_328174145	344.428	GOGUEWVYGCMRFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095116
CCOC(=O)c1c(NC(=O)Cc2ccc(N)cc2)sc2CCCc12	MCULE-7136661623,EMOLS-id_327892544	344.428	LJBUFBVHLONPHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095117
CCOC(=O)c1c(NC(=O)CCc2ccccn2)sc2CCCc12	MCULE-1641515502,EMOLS-id_328107716	344.428	QBADZXUWVQJKDR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095118
CCOC(=O)c1c(NC(=O)CCc2cccnc2)sc2CCCc12	MCULE-5362259091,EMOLS-id_328137905	344.428	NPGRDARZDZLNLP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095119
CCOC(=O)c1c(NC(=O)CCc2ccncc2)sc2CCCc12	MCULE-3075938739,EMOLS-id_328079558	344.428	FXNJNRGTVRZJSI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095120
CCOC(=O)c1c(NC(=O)NCc2ccccc2)sc2c1CCC2	CoCoCo_2046272,PC-id_4409554,ChEMBL-DNDi_CHEMBLC200-1369	344.428	JSWRIQICQOFXNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095121
CNC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCC2	CoCoCo_2590272,PC-id_7475005	344.428	ONPLSFUWUCYSJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095122
CN(C(=O)COc1cccc(c1)NC(=O)c1sc2c(c1)CCC2)C	PC-id_87005823	344.428	OVZGQFZDTOTFAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095123
COc1ccc(C)cc1NC(=O)CNC(=O)c1cc2c(s1)CCC2	EMOLS-id_324024580,ZINC22_30216072,MCULE-4764679954	344.428	YROZSSJKWFWSGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095124
COc1cccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)c1	ChEMBL-DNDi_CHEMBL1519033,BindingDB_PC-id_9161971,EMOLS-id_18892595,BindingDB-id_105355,CoCoCo_3198345,CHEMBL1519033,ZINC22_8031264,MCULE-8505061670,PC-id_9161971	344.428	JTHMDYJGCODWLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095125
COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1	CoCoCo_3199988,BindingDB-id_105360,BindingDB_PC-id_9426403,PC-id_9426403,SCHEMBL16706099,ZINC22_8302991,ChEMBL-DNDi_CHEMBL1319129,CHEMBL1319129	344.428	QAVUJIAWUVEMOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095126
COCCN(C(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1)C	PC-id_97524478	344.428	LTIXSCLRFJATKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095127
COC(=O)c1c(NC(=O)CN(C)c2ccccc2)sc2c1CCC2	PC-id_27134985,ZINC22_16446093,EMOLS-id_33331510,MCULE-4821622968	344.428	CHLVYRMPWOPTQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095128
O=C(c1ccc(cc1)OCC1CCCO1)Nc1sc2c(n1)CCC2	PC-id_45853074,MCULE-8934393631,EMOLS-id_24955431	344.428	KKMBSDRMHNNEGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095129
O=C(C1CCCN1C(=O)c1sc2c(c1)CCC2)NCc1ccco1	PC-id_53522185,EMOLS-id_36266253,MCULE-8332309526	344.428	INKCAFPKOVHLRZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-095130
O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2c(s1)CCC2	EMOLS-id_29571083,MCULE-2122359649,CoCoCo_4747025,ZINC22_24467101,PC-id_31840119	344.428	AEKNOXNDPOXKDE-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-095131
O=C(Nc1nc2c(s1)CCC2)c1ccc(OC[C@@H]2CCCO2)cc1	CoCoCo_4164172,PC-id_33039031,ZINC22_25767356	344.428	KKMBSDRMHNNEGL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095132
O=C(Nc1nc2c(s1)CCC2)c1ccc(OC[C@H]2CCCO2)cc1	PC-id_33039033,ZINC22_25767359,CoCoCo_4164173	344.428	KKMBSDRMHNNEGL-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095133
O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_69352106,PC-id_95275440	344.428	INKCAFPKOVHLRZ-AWEZNQCLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-095134
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_69352107,PC-id_95275441	344.428	INKCAFPKOVHLRZ-CQSZACIVSA-N	00000010101000000000000010000000000000000000000000000000	25-01-095135
s1c2c(CCC2)c(c1)C(=O)N(CC(=O)Nc1ccc(OC)cc1)C	PC-id_44825241	344.428	CAPCEKRUGVKJIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095136
s1c2CCCc2cc1C(=O)NN=Cc1cc(OCC)c(OC)cc1	PC-id_85015591	344.428	SGUFOVGGZWWOOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095137
s1c2CCCc2cc1C(=O)NN=C(c1cc(OC)c(OC)cc1)C	PC-id_85015567	344.428	NCKCHAXJSCFBKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095138
s1c2CCCc2cc1C(=O)N/N=C(c1cc(OC)c(OC)cc1)/C	PC-id_9462632	344.428	NCKCHAXJSCFBKU-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095139
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OCC)cc1	PC-id_85015516	344.428	ARWLOSWCKIDJNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095140
s1c2CCCc2cc1C(=O)NN=C(c1c(OC)ccc(OC)c1)C	PC-id_85015569	344.428	YZLLYEXQKAQQFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095141
s1c2CCCc2cc1C(=O)N/N=C(c1c(OC)ccc(OC)c1)/C	PC-id_9462635	344.428	YZLLYEXQKAQQFH-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095142
s1c2CCCc2cc1C(=O)NN=C(c1c(OC)cc(OC)cc1)C	PC-id_85015482	344.428	KUYVMPZSJZFFRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095143
s1c2CCCc2cc1C(=O)N/N=C(c1c(OC)cc(OC)cc1)/C	PC-id_9462453	344.428	KUYVMPZSJZFFRR-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095144
s1c2CCCc2cc1C(=O)NNC(=O)Cc1ccc(OCC)cc1	PC-id_24414320	344.428	UTIPKDKXCCTOIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095145
s1c2CCCc2cc1C(=O)NNC(=O)Cc1c(OC)ccc(c1)C	PC-id_27684672	344.428	IWAUWTVOTQYVPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095146
s1c2CCCc2cc1C(=O)NNC(=O)CCc1ccc(OC)cc1	PC-id_26872429	344.428	LTNKPDFYBMMBCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095147
s1c2CCCc2cc1C(=O)NNC(=O)CCc1cc(OC)ccc1	PC-id_31100789	344.428	OAPYNLFNOKNXNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095148
s1c2CCCc2cc1C(=O)NNC(=O)CCCOc1ccccc1	PC-id_38846112	344.428	IJAAUYDLSIZUJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095149
s1c2CCCc2cc1C(=O)NNC(=O)COc1cc(cc(c1)C)C	PC-id_26872394	344.428	LMHAWEOGZVAFKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095150
s1c2CCCc2cc1C(=O)NNC(=O)COc1c(cccc1C)C	PC-id_27684245	344.428	ABYRBKKPVCQXPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095151
s1c2CCCc2cc1C(=O)NNC(=O)COc1cc(c(cc1)C)C	PC-id_27684472	344.428	VUDPIJYHDJOQNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095152
s1c2CCCc2cc1C(=O)NNC(=O)COc1c(ccc(c1)C)C	PC-id_38846074	344.428	KGYKVWGCUBGFRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095153
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(N(C)C)cc1	PC-id_5034254	344.428	ROWVADPCZLUASJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095154
s1c2c(CCC2)c(c1NC(=O)c1ccc(N(C)C)cc1)C(=O)OC	PC-id_4402771	344.428	FAQFUUTYYZGTAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095155
s1c2c(CCC2)c(c1NC(=O)Cc1cc(c(OC)cc1)C)C(=O)N	PC-id_16848097	344.428	RMCGTDJOVYJVAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095156
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccccc1)(C)C)C(=O)N	PC-id_30308711	344.428	RSKGNEQSJRYLDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095157
s1c2CCCc2nc1NC(=O)c1cc(c(OC)c(OC)c1)/C=C/C	PC-id_33040692	344.428	SOQIBIGYGLLFEL-GQCTYLIASA-N	00000010100000110001000010000000000000000000000000000000	25-01-095158
s1c2CCCc2nc1NC(=O)c1cc(c(OC)c(OC)c1)C=CC	PC-id_74630104	344.428	SOQIBIGYGLLFEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095159
s1c2CCCc2nc1NC(=O)CCC(=O)c1ccc(OCC)cc1	PC-id_33039694	344.428	VILINBVHTAWKPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095160
c1(ccccc1c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327880217,MCULE-2036497498	344.43	IXTNXLCXYGJSLJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-095161
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C#N	CoCoCo_4966729,EMOLS-id_3758429,MCULE-3130547595,ZINC22_96098,SPECS-id_AN-153/I120910,SPECS-id_AT-084/J158798,PC-id_708107	344.43	CIBGXWTUCHVGKQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-095162
Cc1ncc(s1)S(=O)(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_103414062	344.43	JLZOHNYPKRXYAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095163
CC(c1nnc2n1CCC2)NS(=O)(=O)CC1COCC(O1)(C)C	EMOLS-id_319230228	344.43	LLUSELPZRJNLQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095164
CCNC(=NCc1nnc2n1CCC2)NC(c1ccc(c(c1)F)C)C	PC-id_109658623	344.43	NCRZPBBDQKWNPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095165
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1C)F	PC-id_109584763	344.43	LOXGODSDCVHZNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095166
CC(=O)c1ccc(cc1)/C=c/1sc(=Nc2ccccc2)n2c1ccc2	PC-id_141474098	344.43	TVMDTGNTXMNIMN-DFGNOYSKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095167
CN=C(NCc1nnc2n1CCC2)NCC(c1cccc(c1)F)(C)C	PC-id_111624800	344.43	OCMGQPLKPJAZHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095168
OC(=O)c1ncsc1S(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_104255125	344.43	VPHAJLOVFWFZQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095169
OC(=O)c1scc(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_102748565	344.43	KYKNPKPSVKDHHT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095170
s1c2CCCc2cc1C(=O)Nc1cc(ccc1)C#Cc1ncccc1	PC-id_46597324	344.43	BOLHPOCSRBRYJT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-095171
s1c2CCCc2nc1NC(=O)c1ccc(cc1)C#Cc1ccccc1	PC-id_30796793	344.43	ATQKTFWQFOADOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095172
s1c2CCCc2nc1NS(=O)(=O)c1c(sc(c1)C(=O)O)C	PC-id_63328654	344.43	KHGUNDZTFDESPE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095173
s1c2CCCc2nc1NS(=O)(=O)c1sc(cc1)CC(=O)O	PC-id_60682907	344.43	RPGAHDXAHDQGST-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095174
s1c2CCCc2nc1NS(=O)(=O)c1sc(c(c1)C)C(=O)O	PC-id_61509062	344.43	LVVQOPHZEKZRRK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095175
c12SCCn1cc(CNC(=O)c1ccccc1N1CCOCC1)n2	MCULE-2127094738,EMOLS-id_232832534,ZINC22_828182340	344.431	NRBXOPGVHYMTCG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095176
c1(c2CCCc2sc1NC(=O)c1ccn(CC)n1)C(=O)NC1CC1	EMOLS-id_7684936,CoCoCo_6841176,MCULE-2289050193,TIMTEC77238,ZINC22_13321809,PC-id_17126690	344.431	BJUIBXMYKUCQRK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095177
c1(C(=O)NC2CCN(CC2)C(=O)c2cccs2)c2CCCc2[nH]n1	EMOLS-id_323258809,MCULE-6166538522	344.431	HTGOWMACWSHLMA-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-095178
c1(C(=O)NCC2(O)CCN(c3ncccn3)C2)cc2c(CCC2)s1	MCULE-9325893088,PC-id_110123879,EMOLS-id_171636475,BDE-33794461	344.431	AETCJZWAFRKDSM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-095179
c1(NC(=O)c2ccccc2N2CCOCC2)n(C)nc2CSCc12	EMOLS-id_316191736,MCULE-9681977656,PC-id_134709978,ZINC22_1529182556	344.431	UPQDBVQEBZPAGU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095180
c1(NC(=O)C)c2CSCc2nn1CC(=O)NCCc1ccccc1	ZINC22_23139646,EMOLS-id_24913627,MCULE-2940761190,PC-id_30862865,CoCoCo_5277817	344.431	LBGQIWAKHUPBND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095181
Cc1ccccc1[C@H](CC(=O)Nc1nc2c(s1)CCC2)NC(=O)N	PC-id_95134242,ZINC22_65446698	344.431	PCHJBOCLDGKDTE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095182
Cc1ccccc1[C@@H](CC(=O)Nc1nc2c(s1)CCC2)NC(=O)N	ZINC22_65446695,PC-id_95134241	344.431	PCHJBOCLDGKDTE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095183
Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110486912	344.431	DYZBLIIPTXMVKU-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-095184
CCCCN1Cc2c(C1=O)nc(s2)NC(=O)Nc1ccccc1C	PC-id_53188492,MCULE-6631189291,EMOLS-id_33030448	344.431	KTGPRGUQTICBKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095185
CCCNC(=O)N(c1sc2c(n1)C(=O)N(C2)Cc1ccccc1)C	PC-id_53188464	344.431	VMJYMOLHXWWPAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095186
CC(C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2)n1cccn1	MCULE-4085558963,EMOLS-id_48991944,PC-id_72025840	344.431	LTRGBBOVHUABGX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095187
C[C@@H](C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2)n1cccn1	PC-id_95089207,ZINC22_65066672	344.431	LTRGBBOVHUABGX-JTQLQIEISA-N	00100010100000000001000010000000000000000000000000000000	25-01-095188
C[C@H](C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2)n1cccn1	PC-id_97556984,ZINC22_96402552	344.431	LTRGBBOVHUABGX-SNVBAGLBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095189
C[C@H](N)C(=O)Nc1nc2c(s1)CCC2C(=O)NCc1ccccc1	CHEMBL565402,PC-id_45487872	344.431	SIYXPKOKDNSUFD-NUHJPDEHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095190
CCN(CC)c1ccc(/C=c/2sc3nc(COC)nn3c2=O)cc1	EMOLS-id_324899330	344.431	NHRMGBPBLJRFKA-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095191
Cn1cc(CC(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cn1	ZINC22_95958455,MCULE-1934413800,PC-id_75419135,EMOLS-id_48783001	344.431	JIFZWMWDSQOVLF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095192
CN(C)CC(=O)N1CCc2sc(cc12)C(=O)NCc1ccncc1	PC-id_97524458,EMOLS-id_44378882,ZINC22_96264519	344.431	PHNQECSPHXRAJB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095193
COc1cc(ccn1)N1CCN(Cc2nc3CCCc3s2)CC1=O	EMOLS-id_337172153,MCULE-8287568810,ZINC22_2086950826	344.431	OANDFYVUZAAGAK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-095194
COc1ccnc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1	MCULE-3804137721,ZINC22_71821886,PC-id_56818316,EMOLS-id_36928679	344.431	RSXRWLBSLMYXDV-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-095195
COc1c(sc2c1CCC2)C(=O)N1CCN(CC1)c1ncccn1	PC-id_91956580	344.431	ZWJOKPDSLNPSPI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-095196
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)COC	MCULE-5511677225	344.431	NHRMGBPBLJRFKA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095197
N#Cc1c(NC(=O)C(N2CN(C(=O)C2)C2CC2)C)sc2c1CCC2	EMOLS-id_101260132	344.431	SRVOBZFGUUCOLW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-095198
NC(=O)c1cc([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n[nH]1	PC-id_96514098,ZINC22_78900889	344.431	NMAZPGJJHQXARB-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-095199
NC(=O)c1cc([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n[nH]1	PC-id_96514100,ZINC22_78900894	344.431	NMAZPGJJHQXARB-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095200
NC(=O)NC(c1ccccc1C)CC(=O)Nc1sc2c(n1)CCC2	PC-id_53505555,EMOLS-id_35697296,MCULE-8282354651	344.431	PCHJBOCLDGKDTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095201
O=C(C1CC1)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Cc1cccs1	SCHEMBL2924215,PC-id_68442737	344.431	ZNKDULITOCQBFB-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-095202
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)c1n[nH]c(c1)C(=O)N	EMOLS-id_43651941,PC-id_71927097,MCULE-6478340345	344.431	NMAZPGJJHQXARB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095203
O=C([C@@H]1CCCN1C(=O)c1cccs1)NCc1cnc2n1CCC2	EMOLS-id_319789154	344.431	GVHFQEJCKDMAHP-ZDUSSCGKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095204
O=C([C@@H]1CCCN1C(=O)c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_319661679	344.431	UDJXTXIJHHZDKU-AWEZNQCLSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095205
OCCn1nc(cc1NCc1sc2c(n1)CCC2)c1ccoc1C	PC-id_109948553	344.431	UOYXFWUTSMHAHE-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-095206
O=C(NC1CCN(C(=O)c2cn[nH]c2)CC1)c1cc2c(s1)CCC2	EMOLS-id_316818117,ZINC22_888093183,MCULE-5644320294	344.431	OHCZBDJLQZGSQW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095207
O=C(NC[C@@]1(O)CCN(c2ncccn2)C1)c1cc2c(s1)CCC2	ZINC22_257200747	344.431	AETCJZWAFRKDSM-KRWDZBQOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-095208
O=C(NC[C@]1(O)CCN(c2ncccn2)C1)c1cc2c(s1)CCC2	ZINC22_257200748	344.431	AETCJZWAFRKDSM-QGZVFWFLSA-N	00000010100000100001100010000000000000000000000000000000	25-01-095209
O=C(N[C@@H]1C[C@H]1c1ccn(n1)C)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318776758	344.431	XCISZEAIBXNKMY-WCQYABFASA-N	00100010100000000001100010000000000000000000000000000000	25-01-095210
s1c2CCCc2nc1NC(=O)c1ccc(NC(=O)NC(C)C)cc1	PC-id_52336564	344.431	MHHDVZJJNKBWQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095211
s1c2CCC(c2nc1NC(=O)C(N)C)C(=O)NCc1ccccc1	PC-id_75117005	344.431	SIYXPKOKDNSUFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095212
S1Cc2c(nn(c2NC(=O)c2ccccc2)CC(=O)NCCC)C1	PC-id_44052869	344.431	NHTNYEUAQSIUIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095213
S1Cc2c(nn(c2NC(=O)CC)CC(=O)NCc2ccccc2)C1	PC-id_44053375	344.431	WLRPMLGCIZTSAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095214
c1(nncn1C)Sc1ccc(CN(C)Cc2c3CCCc3[nH]n2)o1	ZINC22_97499461,MCULE-2814003302,PC-id_74236526,EMOLS-id_49652026	344.435	KLUWRNJFBDXVEC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-095215
CCc1nn(C)c(CC)c1CC(=O)Nc1nc2n(c1C#N)CCS2	ZINC22_191898901,PC-id_91652996,EMOLS-id_50360638,MCULE-7686213043	344.435	WMUHFVJHIPVRSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095216
CC(C)[C@H](NC(=O)Cc1cn2ccsc2n1)c1nnc2n1CCC2	PC-id_97211343,ZINC22_95393220	344.435	PPZYOCCBQFLKQW-AWEZNQCLSA-N	00000010100000000001000110000000000000000000000000000000	25-01-095217
CC(C)[C@@H](NC(=O)Cc1cn2ccsc2n1)c1nnc2n1CCC2	ZINC22_95393221,PC-id_97211344	344.435	PPZYOCCBQFLKQW-CQSZACIVSA-N	00000010100000000001000110000000000000000000000000000000	25-01-095218
O=C(CN1CCN(c2cnccn2)CC1)Nc1nc2c(s1)CCC2	EMOLS-id_98027581,MCULE-5764323206,ZINC22_52464813	344.435	YKYJKSQOHHOOQK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-095219
O=C(NC(c1nnc2n1CCC2)C(C)C)Cc1cn2c(n1)scc2	EMOLS-id_48230876,PC-id_75370078,MCULE-1051690826	344.435	PPZYOCCBQFLKQW-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-095220
O=C(NCc1n[nH]c2c1CCC2)c1nnn(CC[NH+]2CCCCC2)c1	PC-id_42196149	344.435	WEBBEEWLSHTZFM-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-095221
o1c2c(C(CC2)C=CC(O)C(CC#CC)C)cc1CCCCC(=O)O	PC-id_77975863	344.445	VZXMMORLTWEDMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095222
o1c2c([C@H](CC2)/C=C/[C@@H](O)C(CC#CC)C)cc1CCCCC(=O)O	PC-id_70487411	344.445	VZXMMORLTWEDMM-AEVUDFIASA-N	00000010100000000000000010000000000000000000000000000000	25-01-095223
o1c2c([C@H](CC2)C=C[C@@H](O)[C@H](CC#CC)C)cc1CCCCC(=O)O	PC-id_70487415	344.445	VZXMMORLTWEDMM-TXPKVOOTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095224
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)CCC2	ZINC22_53244308,PC-id_53536673,EMOLS-id_36646030,MCULE-4257952419	344.446	AOBWAUKUTAOIRA-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-095225
Cc1ccccc1CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2407497218,EMOLS-id_328214131	344.449	HDRXDVJFCDXTLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095226
Cc1cccc(C)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5487806940,EMOLS-id_328216950	344.449	ZACSYKURABFQIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095227
Cc1cccc(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328215154,MCULE-8278412835	344.449	OGSOEMQTZIXQMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095228
Cc1cc(C)cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328218484,MCULE-3202812329	344.449	USKIIAKZLNVDPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095229
Cc1ccc(C)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-5381128305,EMOLS-id_328217980	344.449	FDSFPYUDOQWCJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095230
Cc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1C	MCULE-9349733596,EMOLS-id_328216951	344.449	DUWJQORMZJIMEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095231
Cc1ccc(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-1795547351,EMOLS-id_328216440	344.449	CVRZHBGXWJYROA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095232
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1C	EMOLS-id_328218995,MCULE-5206747311	344.449	OGNSKZJXNXPYFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095233
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C)c1	MCULE-2249118284,EMOLS-id_328219511	344.449	NCZKGDCVUVWRPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095234
CCc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8447695597,EMOLS-id_328220020	344.449	LCQCAOWSAMJEKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095235
CCc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-3375684196,EMOLS-id_328218998	344.449	GARQARWHXGGSHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095236
CC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1	MCULE-1532773035,EMOLS-id_328210047	344.449	GQLGBRMAPGORKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095237
CCN(C(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1	MCULE-6042008101,EMOLS-id_328337819	344.449	QXHRCWBZNAKWLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095238
CN(Cc1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2023536678,EMOLS-id_328337820	344.449	YNRIIKBUJFDBIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095239
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCc1ccccc1	EMOLS-id_328211582,MCULE-7520907967	344.449	HJWGCBQGOCIRGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095240
COc1c(sc2c1CCC2)C(=O)N1CCN(CC1)S(=O)(=O)C	PC-id_91956479	344.45	ROMBUQQJYLXJNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095241
O=S1(=O)CCc2c1c[nH]c2S(=O)(=O)NC1(CC2CC2)CCC1	ZINC22_1875323043	344.45	UITPQLQJQUDXIS-UHFFFAOYSA-N	00101010100000000000000010000000000000000000000000000000	25-01-095242
c1(c2CCCc2[nH]n1)C(=O)N1CCC(=O)N(CC2CC2)C(C(C)C)C1	MCULE-7360574570,EMOLS-id_43189323,PC-id_56871303	344.451	AUQXAAUZAADMNT-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-095243
C1CCC(CC1)C(=O)N1CCCC1C(=O)NCc1n[nH]c2c1CCC2	PC-id_91831455	344.451	PBYVPNBCOOWRHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095244
c1(NC(=O)CSc2ccc(cc2)OC)sc2c(CCC2)c1C#N	MCULE-2296766415,ZINC22_7790129,ChEMBL-DNDi_CHEMBLF2816-0199,PC-id_8907282,EMOLS-id_5624838,CoCoCo_5189999	344.451	VJELFRKZRMBAHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095245
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1ccccc1	MCULE-6171813333,EMOLS-id_186589935	344.451	FNXRQMPMZWMKLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095246
CC1CCC(CC1)N1CC(CC1=O)C(=O)NCc1cnc2n1CCC2	MCULE-2483117015,EMOLS-id_320205151	344.451	ZBLXBTWODOVVDG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095247
CC1CCN(CC1)C(=O)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-8327999188,PC-id_84583410,EMOLS-id_48990631	344.451	OBWIBJNWPVXZGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095248
CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1	PC-id_97209306,ZINC22_95389931	344.451	OBWIBJNWPVXZGI-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095249
CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1	PC-id_97209307,ZINC22_95389932	344.451	OBWIBJNWPVXZGI-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095250
CC(C)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCC(=O)N1CC1CC1	PC-id_95551353,ZINC22_71749252	344.451	AUQXAAUZAADMNT-MRXNPFEDSA-N	00100010100000000101000010000000000000000000000000000000	25-01-095251
CC(C)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCC(=O)N1CC1CC1	ZINC22_71749251,PC-id_95551352	344.451	AUQXAAUZAADMNT-INIZCTEOSA-N	00100010100000000101000010000000000000000000000000000000	25-01-095252
C[C@@H](Sc1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_95269638,ZINC22_69270476	344.451	DFHNPJSQUGINIV-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095253
C[C@H](Sc1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_64038531,PC-id_95048258	344.451	DFHNPJSQUGINIV-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-095254
Cn1nc(C(=O)N2CCCC2)c2CN(Cc12)C(=O)C1(C)CCCCC1	EMOLS-id_207863013,MCULE-1237509624	344.451	CPTRTIXJHVVOOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095255
N1(CCC[C@H]1C(=O)NCc1c2CCCc2[nH]n1)C(=O)C1CCCCC1	ZINC22_244764136,EMOLS-id_55623438,MCULE-8996737468	344.451	PBYVPNBCOOWRHN-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095256
N#Cc1c(NC(=O)C(Sc2ccc(cc2)O)C)sc2c1CCC2	MCULE-9894065020,PC-id_53626336,EMOLS-id_36651239	344.451	DFHNPJSQUGINIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095257
O=C(C1CCCCC1C(=O)N1CCCC1)NCc1cnc2n1CCC2	EMOLS-id_319791858	344.451	MAVYBNYWPAFKJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095258
O=C(C1CCCCC1C(=O)N1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319492219	344.451	OMWDBWMMAWSTLK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095259
O=C(C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)NC1CCCCC1	EMOLS-id_48224674,PC-id_75405810,MCULE-5096871691	344.451	WPAJPTLDUCRKEX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095260
O=C(CC1CCCC1)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98811331	344.451	WDXXTPYWVVUNLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095261
O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)CC1CCCCC1	EMOLS-id_110258414	344.451	GELSBRFMGWXIRW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095262
O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97206720,ZINC22_95385731	344.451	WPAJPTLDUCRKEX-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095263
O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97206721,ZINC22_95385732	344.451	WPAJPTLDUCRKEX-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095264
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1ccccc1)C)C(=O)N	PC-id_84867339	344.451	CTNCTSADDVZALE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-095265
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1ccccc1)C)C(=O)N	PC-id_8898829	344.451	CTNCTSADDVZALE-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-095266
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1ccccc1)C)C(=O)N	PC-id_8898833	344.451	CTNCTSADDVZALE-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-095267
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccccc1)C)C(=O)N	PC-id_8901439	344.451	FVCNOWMKQXEBFL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-095268
c1ccc(C2CC(Nc3ccc(Cc4nnc5n4CCC5)cc3)C2)cc1	ZINC22_188598508,EMOLS-id_75980453,PC-id_121548973,MCULE-2787833355	344.453	IVDMHBFYZYEAMY-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-095269
c1(C(=O)NCCS(=O)(=O)N2CCSCC2)c2CCCc2[nH]n1	EMOLS-id_323258292,MCULE-1084491106	344.453	RKHKAKLIUHGCMI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095270
c1(NC(=O)CN(C)C2CCS(=O)(=O)C2)n(C)nc2CSCc12	MCULE-2461255301,EMOLS-id_316235088	344.453	QYYWJBIJYSLUIZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095271
CC1CS(=O)(=O)CCN1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99833407	344.453	YIOCRYUOCKBMPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095272
CN(CC(=O)Nc1c2c(nn1C)CSC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_1506422440	344.453	QYYWJBIJYSLUIZ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095273
CN(CC(=O)Nc1c2c(nn1C)CSC2)[C@H]1CCS(=O)(=O)C1	ZINC22_1506422443	344.453	QYYWJBIJYSLUIZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-095274
O=C(CCN1CCCS1(=O)=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99838243	344.453	INTDJVPWOVNUHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095275
O=C(NC1CCCS(=O)(=O)C1)NCCc1cn2c(n1)SCC2	EMOLS-id_99898419	344.453	RNFVQEZWZOKOJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095276
O=C(Nc1sc2c(n1)CCC2)CN1CCN(CC1)S(=O)(=O)C	EMOLS-id_110342153	344.453	UFXUOBTWOWUBKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095277
c1(c(CC)nc(n2cccc2)s1)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323421868,MCULE-5657425029	344.454	VQHJXIQKBNBYGS-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-095278
c1(C(=O)N(C)Cc2csc(c3cccs3)n2)c2CCCc2[nH]n1	MCULE-3051265135,ZINC22_72462993,EMOLS-id_43151258,PC-id_56907225	344.454	BGDYPZXOLGVCDU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095279
c1(csc(c2cccs2)n1)C(=O)N(C)Cc1c2CCCc2[nH]n1	ZINC22_82147243,EMOLS-id_44448027,MCULE-2093027342,PC-id_70775039	344.454	HGXVYCPGBASRST-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095280
Cc1cn2c(/C=C/C(=O)Nc3nc4c(s3)CCC4)c(C)nc2s1	ZINC22_95946647,PC-id_75413462	344.454	NMCVBOIVUBUZHN-VOTSOKGWSA-N	00000010100000000001000110000000000000000000000000000000	25-01-095281
Cc1cn2c(c(nc2s1)C)C=CC(=O)Nc1nc2c(s1)CCC2	MCULE-7757069197,PC-id_91942090,EMOLS-id_300940757	344.454	NMCVBOIVUBUZHN-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-095282
Cc1nc(c2cccs2)sc1C(=O)Nc1c2c(nn1C)CCC2	EMOLS-id_316806702,ZINC22_299221658,MCULE-7978269082	344.454	LUEGRBSWLLYJFU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095283
N#Cc1c(C)cc(nc1SCC(=O)Nc1sc2c(n1)CCC2)C	MCULE-6286199746,EMOLS-id_317727402	344.454	YMPZTHKAHNXPAT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-095284
N#Cc1c(NC(=O)CSc2nccn2C2CC2)sc2c1CCC2	ZINC22_11892336,EMOLS-id_13477136,CoCoCo_4497457,PC-id_17564116,MCULE-3382953264	344.454	NPZMIHVYRBFDNQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-095285
N#Cc1c(sc2c1CCC2)NC(=O)[C@H]([N@H+](Cc1cnn(c1)C)C)C	GD-id_ZINC27216029	344.454	YWTHCWYQGHZOJA-LLVKDONJSA-O	00000010100000000001000010000000000000000000000000000000	25-01-095286
O=C(c1sc(nc1C)c1cccs1)NCc1n[nH]c2c1CCC2	EMOLS-id_319737321	344.454	DKFJWGZKGHNAHM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095287
O=C(Cc1csc(n1)c1cccs1)NCc1cnc2n1CCC2	EMOLS-id_320028924,MCULE-1214330313	344.454	WPRUNAQFIZCMIP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095288
O=C(Cc1csc(n1)c1cccs1)NCc1n[nH]c2c1CCC2	MCULE-8311930125,EMOLS-id_320331331	344.454	PVQJOKKIRUHSDF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095289
c1(cc(nn1CCC(C)C)C)NC(=O)N(C)Cc1c2CCCc2[nH]n1	PC-id_118789338,EMOLS-id_68928753,ZINC22_299797002,MCULE-3140158812	344.455	QPBXXTDZJHQWTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095290
Cc1nn(CC(C)C)c(C)c1CC(=O)NCCc1nnc2n1CCC2	MCULE-6872859444,PC-id_51079735,ZINC22_58308379,EMOLS-id_31935490	344.455	KNJQQVPQEBGDOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095291
Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1nnc2n1CCC2	PC-id_45819279,ZINC22_44934929,EMOLS-id_31936752,MCULE-2836898257	344.455	RDFYLNNWHLGJPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095292
CCc1noc([C@@H](C)N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1	ZINC22_891969619	344.455	QLPQULMDIKRSOF-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095293
CCc1noc([C@H](C)N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1	ZINC22_891969620	344.455	QLPQULMDIKRSOF-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095294
CCc1noc(n1)C(C)N1CCN(CC1)Cc1c2CCCc2nn1C	EMOLS-id_316980949,MCULE-9668420574,PC-id_136568387	344.455	QLPQULMDIKRSOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095295
C[C@@H](NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C)c1cc2n(n1)CCC2	ZINC22_886085402	344.455	NYBLZTUEYAEGNU-BVGQSLNGSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095296
C[C@H](NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C)c1cc2n(n1)CCC2	ZINC22_886085404	344.455	NYBLZTUEYAEGNU-KKXDTOCCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095297
CN1CCO[C@H]([C@@H]1c1ccnn1C)CNC(c1nn2c(c1)CCC2)C	MCULE-7162290295,EMOLS-id_316144989	344.455	NYBLZTUEYAEGNU-RHGDZWTLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095298
O=C(NC(c1n2CCCc2nn1)C)Cc1c(n(nc1C)CC(C)C)C	MCULE-8046212049,PC-id_45819140,EMOLS-id_31936202	344.455	UZLBBYFFKVAFBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095299
O=C(N[C@H](c1nnc2n1CCC2)C)Cc1c(C)nn(c1C)CC(C)C	PC-id_94024459	344.455	UZLBBYFFKVAFBE-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095300
O=C(N[C@@H](c1nnc2n1CCC2)C)Cc1c(C)nn(c1C)CC(C)C	PC-id_94024461	344.455	UZLBBYFFKVAFBE-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095301
CCNC(=NCc1nnc2n1CCC2)NCCCn1nc(cc1C)C	PC-id_111020347	344.458	XPXPKCVWRMLIQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095302
CN=C(N(Cc1cn(nc1C(C)C)C)C)NCc1nnc2n1CCC2	PC-id_109840210	344.458	VQZJAZXFUZGZMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095303
CN=C(NC(Cc1c(C)nn(c1C)C)C)NCc1nnc2n1CCC2	PC-id_120056842	344.458	WZPCTABOIOSAEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095304
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)SC	MCULE-7241567060,EMOLS-id_330980542	344.471	QDZQVAREABYTRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095305
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(SC)c1	EMOLS-id_330982321,MCULE-7901253148	344.471	UCNWRSMNBCSBOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095306
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)n1	MCULE-9389303427,EMOLS-id_334661078	344.471	ODZRDQVRCNSXNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095307
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)OCCCCCC	MCULE-4805335897,EMOLS-id_334663122	344.471	RJWFRLGMGPOJAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095308
CN(C)C(CNC(=O)c1c(c2c(s1)CCC2)OC)c1ccccc1	PC-id_91956523	344.471	PSBWJSSHVGCMAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095309
OC1CCCCC1Oc1ccc(cc1)NCc1sc2c(n1)CCC2	PC-id_109948705	344.471	PKEIXSAIEZDCPS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095310
OC(c1ccccc1)CC1COCCN1Cc1sc2c(n1)CCC2	PC-id_109975456	344.471	SGTXBEZXTCYBLX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095311
O=C(c1sc2c(c1)CCC2)NCC(c1ccco1)N1CCCCC1	PC-id_4880354,EMOLS-id_3648627,MCULE-7161636833	344.471	SWYQPRJQCGNLPM-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-095312
O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc2c(s1)CCC2	PC-id_2461927,ZINC22_3345331,CoCoCo_3644049	344.471	SWYQPRJQCGNLPM-HNNXBMFYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-095313
O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc2c(s1)CCC2	ZINC22_3345330,PC-id_2461925,CoCoCo_3644050	344.471	SWYQPRJQCGNLPM-OAHLLOKOSA-N	00000010101010000000000010000000000000000000000000000000	25-01-095314
s1c2CCCc2cc1C(=O)NCC(N(C)C)c1cc(OC)ccc1	PC-id_51179458	344.471	JXZPLKXSHXBQKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095315
c1(NC(=O)CCn2c(C)c(c(C)n2)CC(=C)C)sc2c(CCC2)n1	MCULE-8645748250,EMOLS-id_323361420	344.474	KKHUJNMXJINNNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095316
Cc1cnc(C)c(OC2CCN(Cc3nc4CCCc4s3)CC2)n1	EMOLS-id_337696249,ZINC22_2087123180,MCULE-8471026665	344.474	IKWLKPHWEYLNAS-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-095317
Cc1cnc(OCC2CCCN(Cc3nc4CCCc4s3)C2)nc1	EMOLS-id_317458517,MCULE-4388135979	344.474	LAHAMPGSBAECIL-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-095318
Cc1cnc(OC[C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)nc1	ZINC22_1776000806	344.474	LAHAMPGSBAECIL-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-095319
Cc1cnc(OC[C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)nc1	ZINC22_1776000807	344.474	LAHAMPGSBAECIL-CQSZACIVSA-N	00000010100010100001000010000000000000000000000000000000	25-01-095320
Cc1csc(c1)C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	ZINC22_1565550761,EMOLS-id_313735378	344.474	DWQXAWAHLJHUAD-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-095321
Cc1nccnc1OCC1CCN(Cc2nc3CCCc3s2)CC1	PC-id_165434841,EMOLS-id_337861757,MCULE-9839666652	344.474	ADDKWJMJOCTXJH-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-095322
Cc1scc(n1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109694	344.474	CXDWUOCGRVLHKM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095323
CC(C)c1csc([C@@H]2CCCN(C(=O)c3cnn4c3CCC4)C2)n1	ZINC22_294911756	344.474	IYWNMFLKFCPYDC-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095324
CC(C)c1csc([C@H]2CCCN(C(=O)c3cnn4c3CCC4)C2)n1	ZINC22_294911760	344.474	IYWNMFLKFCPYDC-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095325
CC(C)[C@H](Sc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_69375494,PC-id_95277440	344.474	VCWHTMRZCNXPTP-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095326
CC(C)[C@@H](Sc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_69375503,PC-id_95277441	344.474	VCWHTMRZCNXPTP-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095327
CC(=C)Cn1nc(C)c(CCC(=O)Nc2nc3CCCc3s2)c1C	EMOLS-id_323368900,MCULE-1387250864	344.474	UMPJXDYZXWEMCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095328
CC(C(C(=O)N(Cc1nnc2n1CCC2)C)Sc1ccccc1)C	MCULE-6496166709,EMOLS-id_36320020,PC-id_53557586	344.474	VCWHTMRZCNXPTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095329
Cn1cc(CN2CCCN(C(=O)c3cc4c(s3)CCC4)CC2)cn1	ZINC22_69652471,EMOLS-id_36345106,PC-id_53590605,MCULE-3466501712	344.474	BRHZXNUIDJHDKV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-095330
NCCN(CC(=O)Nc1sc2c(n1)CCC2)CCc1ccccc1	PC-id_120872208	344.474	DCJQLDXZLIJRKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095331
OCC1CCN(CC1)c1ccc(nc1)NCc1sc2c(n1)CCC2	PC-id_109948729	344.474	CDRNSLGCPDGIPG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-095332
O=C(c1cnn2c1CCC2)N1CCCC(C1)c1scc(n1)C(C)C	EMOLS-id_316911959,MCULE-6572362194	344.474	IYWNMFLKFCPYDC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095333
O=C(c1n[nH]c2c1CCC2)NCC1CCCN(C1)Cc1cccs1	MCULE-6751074533,EMOLS-id_75969952,PC-id_121544568	344.474	CDZVACQJMPPHJH-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-095334
O=C(c1sc2c(c1)CCC2)N1CCCN(CC1)Cc1nccn1C	EMOLS-id_36684195,MCULE-1227596454,PC-id_53617299	344.474	VXJUYNNGDDXQHS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-095335
O=C(c1scnc1C)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109937	344.474	PEBBOHNGDOLJPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095336
O=C(Cc1scc(n1)C1CCCCC1)NCc1cnc2n1CCC2	EMOLS-id_319000345	344.474	KNRGTJYEIYREGA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095337
O=C(Cc1scc(n1)C1CCCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_319240064	344.474	OGMUJLJZNJESCL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095338
O=C(N1CC2C(C1)C1CCC2C=C1)NCCc1cn2c(n1)SCC2	EMOLS-id_101366191	344.474	HFSKDULCAMJQKT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-095339
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Nc1cccs1	PC-id_92109979	344.474	UVVWDYGGCAEPBA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095340
O=C(NCCc1nnc2n1CCC2)C1(c2cccs2)CCCCC1	MCULE-3815990167,PC-id_72006957,ZINC22_96414305,EMOLS-id_49033894	344.474	BRXSRQLXTIRYOC-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-095341
O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1n[nH]c2c1CCC2	ZINC22_119683222	344.474	CDZVACQJMPPHJH-CYBMUJFWSA-N	00000010100110000001000010000000000000000000000000000000	25-01-095342
O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1n[nH]c2c1CCC2	ZINC22_119683392	344.474	CDZVACQJMPPHJH-ZDUSSCGKSA-N	00000010100110000001000010000000000000000000000000000000	25-01-095343
CCNC(=NCc1nnc2n1CCC2)NCCSc1ccccc1	PC-id_111020477	344.478	AOZOCURHLKHEPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095344
CN=C(N(Cc1ccc(cc1)SC)C)NCc1nnc2n1CCC2	PC-id_111299219	344.478	GRRDWKFYVXNSFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095345
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1SC)C	PC-id_109682343	344.478	VTVGEYSTNRZTIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095346
CN=C(NCc1nnc2n1CCC2)NCC(Sc1ccccc1)C	PC-id_111496058	344.478	RRUDSLADKVFKQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095347
C[C@H]1CC[C@@H](CC1)C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	ZINC22_1565553243,EMOLS-id_313734099	344.494	QAKVSOYEMPDWOH-WKILWMFISA-N	00000010100010000001000010000000000000000000000000000000	25-01-095348
CN1CCCC(C1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109722	344.494	FKVSBTFXVYACJS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095349
O=C(N1CCCC1CCC1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101418765	344.494	LLRIUFKRTWIMQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095350
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)NC1CCCCC1	PC-id_92109970	344.494	SQWJROGSZUPUOS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095351
CN(S(=O)(=O)NCCc1cn2c(n1)SCC2)C1CCCCC1	EMOLS-id_99838618	344.496	YWNOYGBKWWXVCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095352
OCC(C(c1ccccc1)CNC(c1sc2c(n1)CCC2)C)(C)C	PC-id_110017312	344.514	JYSXIWHSKIJKJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095353
CCOC(=O)C1CCc2c1nc(s2)NCC1CSCCS1	PC-id_116220935	344.516	KTYANKIHLBIWFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095354
s1c2c(CCC2)c(c1NC(=S)NCCCSC)C(=O)OC	PC-id_8748242	344.516	ORRDAXYURPLEKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095355
CC(c1ccc(cc1)OC[C@@H]1Cn2c(O1)ncc2[Si](C)(C)C)(C)C	PC-id_140261680	344.523	USBHPQTYFHTRRB-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095356
Brc1c(ncnc1Cl)NCc1sc2c(c1)CCC2	PC-id_106194031	344.658	IHCLLQMBSQQKQZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-095357
Clc1ncc(c(n1)NCc1sc2c(c1)CCC2)Br	PC-id_106194056	344.658	YSEOADHFOFDCGZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-095358
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cccnc2Cl)n1	EMOLS-id_1359687,PC-id_798526,ZINC22_303756,MCULE-7794980625,TIMTEC304973,CoCoCo_224972,BAS-01939645	344.719	MEBPVLTZCCVVHG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-095359
O=C(C1NCc2c1c[nH]n2)NCc1ccc(c(c1)C(F)(F)F)Cl	EMOLS-id_318993334	344.719	YXBQCUIFUCDPSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095360
O=C(c1ncc(cc1Cl)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319113833	344.719	SWMAWKAMFGILRE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-095361
O=C(c1ncc(cc1Cl)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319354161	344.719	VUYYVLQQHIEESF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-095362
CC1CCc2c1c(CO)nn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-4078965182,EMOLS-id_331007483	344.759	VYXLZVPVXHATCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095363
CC1CCc2c1c(CO)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	EMOLS-id_331010043,MCULE-8532712483	344.759	QLVYYOKTZPSHSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095364
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(CO)c12	EMOLS-id_330990262,MCULE-1408504445	344.759	CZOGIJLKKPPECZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095365
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(CO)c12	EMOLS-id_330992822,MCULE-7693043741	344.759	VNDTWIUQGLHDMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095366
Cc1cc(c(Cl)cc1F)S(=O)(=O)NCc1nnc2CCCn12	MCULE-9185877568,EMOLS-id_316166847,ZINC22_471790252	344.792	GKZFLKYRLBROFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095367
Clc1cc(F)c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_16588367	344.792	LGAZNDYIOSNMQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095368
O=S(=O)(NCCc1nnc2n1CCC2)c1ccc(F)c(Cl)c1	EMOLS-id_31950123,MCULE-5882840890,ZINC22_44936159,PC-id_45821880	344.792	PGPVXKAYRJLGCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095369
c1(c2CCCc2[nH]n1)C(=O)N1CCN(C(=O)C1)c1cccc(Cl)c1	PC-id_70714890,MCULE-8860081127,ZINC22_77320228,EMOLS-id_43560597	344.795	MSTNEDOYFBOGDT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095370
Clc1cccc(c1)N1CCC(C1=O)NC(=O)c1n[nH]c2c1CCC2	MCULE-5326035741,EMOLS-id_43664990,PC-id_71861413	344.795	ZLDDGHCIHJIFKU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095371
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1n[nH]c2c1CCC2	PC-id_96529637,ZINC22_79022368	344.795	ZLDDGHCIHJIFKU-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095372
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1n[nH]c2c1CCC2	ZINC22_79022374,PC-id_96529638	344.795	ZLDDGHCIHJIFKU-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095373
Clc1c(c2oc(C(=O)Nc3sc4c(CCC4)n3)cc2)cccc1	CoCoCo_4164293,ZINC22_15636941,MCULE-2166597816,PC-id_26723404,EMOLS-id_24498426	344.815	MBJSZZYMQITFCX-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-095374
c1(sc2c(CCC2)n1)NC(=O)c1[nH]nc(c2ccc(cc2)Cl)c1	MCULE-4050105344,EMOLS-id_323251656	344.819	ICAWBYHAJKEDGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095375
O=C(Nc1cc(Cl)ccc1n1cncn1)c1cc2c(s1)CCC2	EMOLS-id_3529253,PC-id_8024580,MCULE-8722179401,CoCoCo_3276079,ZINC22_6650476	344.819	PSNMWIIXIZMNJY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095376
ClC1C=C(S(=O)(=O)NCc2sc3c(CCC3)c2)C=NC1=O	PC-id_77049157	344.837	PRYOSLVBRPXRTN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095377
Clc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)c[nH]c1=O	PC-id_64607318	344.837	MWCAUMBVHWBPSB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095378
COc1ccc(Cl)cc1S(=O)(=O)Nc1nc2CCCc2s1	PC-id_84563796,EMOLS-id_181478432,MCULE-5600720413	344.837	VCHVHKJTQHOAES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095379
OCc1ccc(cc1Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977998	344.837	AMJPCEFYSGSHQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095380
OCc1cc(ccc1Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105978038	344.837	PHVYEINVWAPXGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095381
OCc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Cl	PC-id_105977988	344.837	ODKHPCCCIMRNNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095382
C1Cc2c(C1)[nH]nc2C(=O)NCC1CCN(C1)c1ccc(cc1)Cl	MCULE-1532295011,PC-id_136579307,EMOLS-id_316855661	344.839	HINZAXMBCGGCHL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095383
c1(C(=O)N2CCN(CC2)c2cccc(Cl)c2)c2CCCc2n(C)n1	PC-id_110389040,EMOLS-id_179745184,MCULE-8134170334	344.839	WLHZZFPGKGFLIN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095384
c1(C(=O)NCC2CCN(c3cccc(Cl)c3)C2)c2CCCc2[nH]n1	PC-id_77083143,EMOLS-id_49874432,MCULE-1492152855	344.839	HJKHXAHVUDYJDR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095385
Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	MCULE-1246654005,EMOLS-id_110315877	344.839	VFNPRPIYIFXGJW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095386
CCC(=CC(=O)NCCc1nnc2n1CCC2)c1cccc(c1)Cl	EMOLS-id_301053199,PC-id_71986275,MCULE-4337236364	344.839	NJDSWVVUYBZXKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095387
CC/C(=CC(=O)NCCc1nnc2n1CCC2)/c1cccc(Cl)c1	ZINC22_98015984,PC-id_97981040	344.839	NJDSWVVUYBZXKD-OUKQBFOZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095388
CC(C)[C@@H](NC(=O)/C=Cc1cccc(Cl)c1)c1nnc2n1CCC2	PC-id_97525724,ZINC22_96265949	344.839	VSTOCONQGMOQGQ-XZVRFQMRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095389
CC(C)[C@H](NC(=O)/C=Cc1cccc(Cl)c1)c1nnc2n1CCC2	ZINC22_96265948,PC-id_97525723	344.839	VSTOCONQGMOQGQ-JJEJIETFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095390
Clc1cc(C2(CCCC2)C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_39296826	344.839	JUXRDWXZQJPSOZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095391
Clc1ccc(cc1)C1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436636	344.839	SHZWFSHUKILJNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095392
Clc1ccccc1CN1CCN(CC1)C(=O)c1n[nH]c2CCCc12	MCULE-8103732094,EMOLS-id_177230487,ZINC22_158533274	344.839	RQTWZSXUVKZDRC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095393
Clc1ccc(cc1)N1CCC(C1=O)NC(c1nn2c(c1)CCC2)C	MCULE-2160173014,EMOLS-id_318255751	344.839	GYXSBOUMCWUGLU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095394
Clc1ccc(cc1)NC1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_319243302	344.839	RUAFEZOIBYOKFH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095395
Clc1cc(/C=C/C(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1	PC-id_53590361	344.839	VSTOCONQGMOQGQ-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095396
Clc1cc(C=CC(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1	PC-id_72139043,MCULE-6392226352,EMOLS-id_36359106	344.839	VSTOCONQGMOQGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095397
Clc1ccc(nc1)C1CCN(CC1)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319436331	344.839	RLJXIHQBPFHVPW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-095398
Cn1nc2c(c1C(=O)N1CCN[C@H](c3cccc(Cl)c3)C1)CCC2	ZINC22_2325762879	344.839	MDZQZJFUGYLGNG-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095399
Cn1nc2c(c1C(=O)N1CCN[C@@H](c3cccc(Cl)c3)C1)CCC2	ZINC22_2325762880	344.839	MDZQZJFUGYLGNG-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095400
CN(Cc1nnc2n1CCC2)C(=O)C1(c2cccc(Cl)c2)CCC1	EMOLS-id_35706616,ZINC22_48326280,MCULE-8793117491,PC-id_53498048	344.839	NPCWOTFDOBZGGK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-095401
O=C1C(CCCN1c1ccccc1Cl)NC1CC(n2c1ncc2)C	EMOLS-id_318099604,MCULE-6699446007	344.839	DYCSPAMAMNMDFF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095402
O=C1C(CCCN1c1ccccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_318134700,MCULE-7525783824	344.839	WJWKFTOXBQISDQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095403
O=C1C(CCN1c1ccccc1Cl)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318194129,MCULE-8147783026	344.839	WAVHSHPAUPBRIG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095404
O=C(C1(CCC1)c1ccccc1Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318088266	344.839	RFHYDSXSMGJQLU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-095405
O=C(C1CCN(C1)c1ccccc1Cl)NCc1cnc2n1CCC2	EMOLS-id_319173327	344.839	OADSYNDOYJHORK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095406
O=C(C1CCN(C1)c1ccccc1Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_320310083,MCULE-8723972726	344.839	IAHQEFSYBGICAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095407
O=C(C1NCc2c1c[nH]n2)NCC1(CCCC1)c1cccc(c1)Cl	EMOLS-id_319179694	344.839	OCKGIOSHCGXZQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095408
O=C(c1n[nH]c2c1CCC2)N1CCCN(c2ccccc2Cl)CC1	EMOLS-id_110663520,ZINC22_408075632,MCULE-7471672301	344.839	ZCKQGCLQGNSEDL-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-095409
O=C(c1n[nH]c2c1CCC2)NC1CCCN(C1)c1ccccc1Cl	EMOLS-id_99622773	344.839	PHGAUQVTKVBUPF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095410
O=C(N1CCCC1c1ccccc1Cl)NC1CC(n2c1ncc2)C	EMOLS-id_101436633	344.839	FYUIKDASHLSKSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095411
O=C(NCCc1nnc2n1CCC2)C1(c2cccc(Cl)c2)CCC1	ZINC22_42502835,MCULE-3535791592,EMOLS-id_35706208,PC-id_53503673	344.839	YQQBUMIHPSSXER-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-095412
O=C(NC[C@@H]1CCN(c2cccc(Cl)c2)C1)c1n[nH]c2c1CCC2	PC-id_99930231,ZINC22_215324112	344.839	HJKHXAHVUDYJDR-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095413
O=C(NC[C@H]1CCN(c2cccc(Cl)c2)C1)c1n[nH]c2c1CCC2	ZINC22_215324061,PC-id_99930230	344.839	HJKHXAHVUDYJDR-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095414
O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1n[nH]c2c1CCC2	ZINC22_363659193	344.839	HINZAXMBCGGCHL-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095415
O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1n[nH]c2c1CCC2	ZINC22_363659195	344.839	HINZAXMBCGGCHL-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095416
O=C(N[C@H](c1nnc2n1CCC2)C(C)C)/C=C/c1cccc(c1)Cl	PC-id_95310588	344.839	VSTOCONQGMOQGQ-IJDCCNJMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095417
O=C(N[C@@H](c1nnc2n1CCC2)C(C)C)/C=C/c1cccc(c1)Cl	PC-id_95310589	344.839	VSTOCONQGMOQGQ-KBOKABMXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095418
Clc1cc(S(=O)(=O)Nc2sc3CCCc3n2)cnc1NC	PC-id_64601105	344.84	BTSLMCFPQUKNLV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-095419
c1(NC(=O)CCCc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-9981746266,EMOLS-id_322818856	344.858	REDUHAVGSSSWOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095420
Clc1ccc(N2CCN(CC2)CCCc2n[nH]c3c2CCC3)cc1	PC-id_17773101	344.882	JOXOVCBCIGROHS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095421
CCC(NC1CCc2c1cc(s2)Cl)CNC(=O)OC(C)(C)C	PC-id_107250982	344.9	YGSLSZBKEWJGOZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095422
CCC(NC(=O)OC(C)(C)C)CNC1CCc2c1cc(s2)Cl	PC-id_107250326	344.9	NBKUCLYANSOCOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095423
CC(NC(=O)OC(C)(C)C)CCNC1CCc2c1cc(s2)Cl	PC-id_103901736	344.9	OBYNDTBBSPHRCN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095424
CCN(C(=O)OC(C)(C)C)CCNC1CCc2c1cc(s2)Cl	PC-id_107245339	344.9	AFTARKTWBVDXNA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095425
O=C(N(CCCNC1CCc2c1cc(s2)Cl)C)OC(C)(C)C	PC-id_107242104	344.9	RCRLOPWCSOOEGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095426
O=C(OC(C)(C)C)NC(CNC1CCc2c1cc(s2)Cl)(C)C	PC-id_107249939	344.9	MGJYAXHYJYIFJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095427
Clc1sc(CSCC(=O)Nc2sc3CCCc3n2)cc1	PC-id_33039873	344.903	XAMOADHWJLRUBL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095428
BrCc1c(I)sc2COCc12	EMOLS-id_331065633,MCULE-5962749725	344.995	UGKAYUMOYSMPPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095429
CCC(C)(C)C(=O)N1CC2=C(C1)SC(=C2Br)C(=O)O	MCULE-8585667587,PC-id_154766269,EMOLS-id_257945797	345.003	JPAQDUDNNMLUDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095430
CCOC(=O)C(C)N1C(=O)C2=C(C1(C)C)SC(=C2)Br	PC-id_147408066	345.003	DQBITECSUJPTMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095431
COC(=O)c1n2CCCc2c(c1Cl)C(=O)C(Cl)(Cl)Cl	PC-id_139507374,SCHEMBL21378232	345.006	LDWDYUUVKUGDNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095432
O=C(N1Cc2c(C1)c(n[nH]2)I)CC(F)(F)F	SCHEMBL17234777,PC-id_118493340	345.06	JXNTUFLHFNREIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095433
CC1=C(SC=C1)C2=NSC(=N2)NC(=O)C3=C4CCCC4=NN3C	PC-id_154801017	345.072	PWGRFDUIFXQKSV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095434
CC1(CC2=C(S1)NC(=C2C(=O)N)NC(=O)C3=CC=CC=N3)C(=O)N	PC-id_154465616	345.09	QWLYAKNJIQZVLQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095435
C1CC2=C(C=C(N2C1)C(=O)N)C(=O)C(=O)NC3(COC3)C(F)(F)F	PC-id_153409581	345.094	GBKORVJPYJTXGP-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-095436
c12CN(Cc1nn(CC)c2I)CC(F)(F)F	EMOLS-id_324343651,MCULE-3724843760	345.103	FJJIQTUXYWHXBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095437
CCOC1=C(SC2=C1C(=O)N(C2)CC3=CC=CC=C3)C(=O)OCC	PC-id_162352641	345.103	KAOGUKWNPOZPQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095438
CCOC(=O)N1C2=C(CNC2)C(=N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]	PC-id_165180380	345.107	QXALGJZFZORLGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095439
CC1C2=C(SC=C2CN1C)S(=N)(=O)N[Si](C)(C)C(C)(C)C	PC-id_151155291	345.136	MZCFJZQZRVJHGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095440
CCO[PH2+]CC(=O)NC1CCn2c1ccc2C(=O)c1ccccc1	PC-id_163943297	345.136	RSXPHKHVCDWAEM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-095441
C=c1c(=Nc2cc(c(c(c2)Cl)O)Cl)n2c(c(nc2[nH]1)C#N)C#N	PC-id_90753076	345.143	VOWOMMNRSTXLBN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095442
CC1=Nc2nc(c(n2C1=Nc1cc(c(c(c1)Cl)O)Cl)C#N)C#N	PC-id_136089184	345.143	MZFZJMIPTMITAQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-095443
Cc1nn2C(=C(C(=Nc3cc(c(c(c3)Cl)O)Cl)c2n1)[N+]#[C-])[N+]#[C-]	PC-id_136089218	345.143	UUWPWNUEEGZGKM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-095444
Cc1nnc2n1C(=C(C2=Nc1cc(c(c(c1)Cl)O)Cl)[N+]#[C-])[N+]#[C-]	PC-id_136089203	345.143	GCPBZQTWGHWLSU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-095445
N#CC1CC(CN1C(=O)c1nn2c(c1Br)CCC2)(F)F	EMOLS-id_318948545	345.143	DPXZUKRUZHRXTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095446
CCOC1(CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)O)OCC	PC-id_149252570	345.158	MEJAPORVYSEAPB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095447
[B]c1ccc(cc1)c1noc(c1C(=O)c1cn2c(c1)C(=O)NC2(C)C)C	PC-id_89226960	345.16	RZRSJLTVPGXFOK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095448
CC1=C(C(=NN1C)C)[C@@H]2[C@H](CCO2)CNC(=O)C3=NN4CCOC4=C3	EMOLS-id_317275619,MCULE-2648114324,PC-id_154761139	345.18	SSQYWSQHHPRDDG-WBMJQRKESA-N	00000010100000000001100010000000000000000000000000000000	25-01-095449
CC1[C@@](OC2=NC(=CN12)[N+](=O)[O-])(C)N(C)CC3=CC=C(C=C3)N(C)C	PC-id_153874055	345.18	IGQOSUWSTRDSCK-TYJDENFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095450
N#CC(c1cccc(c1)Br)NC(=O)c1n[nH]c2c1CCC2	PC-id_122132836,EMOLS-id_172289144,MCULE-6263598557	345.194	RNYVVGBAWSJZQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095451
N#C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1cccc(Br)c1	ZINC22_127705509	345.194	RNYVVGBAWSJZQQ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095452
N#C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1cccc(Br)c1	ZINC22_127705722	345.194	RNYVVGBAWSJZQQ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095453
Clc1c(OCC(=O)Nc2onc3c2CSC3)ccc(Cl)c1	PC-id_49719064	345.201	VXPXKCJWGHFSBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095454
Brc1c(F)cc(C(O)c2sc3c(CCC3)c2)c(F)c1	PC-id_64211762	345.202	YXDBCEHKAPSDFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095455
Fc1ccc(c(c1C(c1sc2c(c1)CCC2)O)F)Br	PC-id_106945187	345.202	CJYNUVMJHXOKPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095456
c1(Nc2nc(Cl)nc(Cl)n2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_33373623,MCULE-6304537222,ZINC22_1465521,PC-id_1536824	345.204	IAGKPJBDMVDIBU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-095457
c1(NC(=O)COc2ccc(cc2Cl)Cl)nnc2SCCn12	EMOLS-id_4974505,PC-id_16820058,ZINC22_10609935,MCULE-5051425497,CoCoCo_5085682	345.204	FXCWGVAYAYXIRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095458
O=C(c1c(F)c(F)c(F)c(F)c1F)c1ccc2n1CCC2C(=O)O	CHEMBL9098,PC-id_13487068	345.221	HDIXPUJXKWKUKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095459
FC(F)(F)Oc1ccc(OCC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	PC-id_50912906,SCHEMBL1227138	345.231	QUMAYTSFYCTSLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095460
BrCCCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_114014652	345.255	LJBTZUVBHIMGNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095461
BrC(C(C)C)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_43470534	345.255	VRQUPEMDADHBDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095462
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2F)F)n1	CoCoCo_225005,PC-id_798542,EMOLS-id_1359749,TIMTEC182253,BAS-01939682,ZINC22_303780,MCULE-2547300384	345.267	GXDCEWJUJPLDCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095463
CC1CCc2c1c(CBr)nn2Cc1cccc(c1)C1CC1	EMOLS-id_331034374,MCULE-6955197621	345.277	YVJFWOYNPDWHMH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095464
CC1CCc2c1c(CBr)nn2Cc1ccccc1C1CC1	MCULE-7190850989,EMOLS-id_331031046	345.277	HKYOIGQCAJBSCH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095465
CC1CCc2nn(Cc3ccccc3C3CC3)c(CBr)c12	EMOLS-id_331014079,MCULE-6835444404	345.277	OGYYTDXKBJUWGI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095466
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(CBr)c12	EMOLS-id_331017392,MCULE-9809459997	345.277	IZYFBAQXRDCRSH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095467
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1Br	EMOLS-id_331018914,MCULE-8199205642	345.277	YYKQPKDQOPRZSD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095468
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1Br	MCULE-7296123935,EMOLS-id_331020963	345.277	LPGVZEGXBVXZCL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095469
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1Br	MCULE-8581615843,EMOLS-id_331016623	345.277	JVWMKHQATFPOEB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095470
O=C(NC1C=CC(=C(C1)C(F)(F)F)F)NCc1nnc2n1CCC2	PC-id_144190282	345.295	HHOXRJFKNGKXNH-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-095471
s1c([N+](=O)[O-])c2N(CCn2c1=N)Cc1ccc(nc1)C(F)(F)F	PC-id_76330015	345.3	SXJIRUXRCHJEBR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-095472
Fc1c(c2onc(n2)CNC(=O)c2n[nH]c3CCCc23)c(F)ccc1	PC-id_77079154	345.304	WIPRIRVHUQGURD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095473
OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)[N+](=O)[O-]	PC-id_121438529	345.31	SBYAKJDFSUXNGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095474
COC(=O)C=CC(=O)NCCCn1nc(c2c1CCC2)C(F)(F)F	MCULE-7109387151	345.317	JFHTUMLFVSGUNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095475
COC(=O)/C=C/C(=O)NCCCn1nc(C(F)(F)F)c2c1CCC2	ZINC22_1875378954	345.317	JFHTUMLFVSGUNW-VOTSOKGWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095476
FC(F)(F)CN1CC(CC1=O)C(=O)NC(c1n2CCCc2nn1)C	PC-id_51079807	345.32	XLCFYWNGBQTKFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095477
O=C([C@@H]1CC(=O)N(C1)CC(F)(F)F)N[C@H](c1nnc2n1CCC2)C	PC-id_94171958	345.32	XLCFYWNGBQTKFK-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095478
O=C([C@@H]1CC(=O)N(C1)CC(F)(F)F)N[C@@H](c1nnc2n1CCC2)C	PC-id_94171959	345.32	XLCFYWNGBQTKFK-RKDXNWHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095479
O=C([C@H]1CC(=O)N(C1)CC(F)(F)F)N[C@H](c1nnc2n1CCC2)C	PC-id_94171960	345.32	XLCFYWNGBQTKFK-IUCAKERBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095480
O=C([C@H]1CC(=O)N(C1)CC(F)(F)F)N[C@@H](c1nnc2n1CCC2)C	PC-id_94171961	345.32	XLCFYWNGBQTKFK-BDAKNGLRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095481
O=C(N1CCN(C(=O)C1)CC(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101422863	345.32	LAMMPODVDFISJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095482
COC(=O)C1(CCn2c1ccc2C(=O)c1ccc(cc1)F)C(=O)OC	PC-id_12915912,SCHEMBL11058815	345.322	FNMTXOPPIFEAPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095483
COC(=O)C1(CCn2c1ccc2C(=O)c1ccccc1F)C(=O)OC	SCHEMBL11065076,PC-id_20454716	345.322	CYVIEZBRURUVPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095484
Fc1ccc(C(=O)c2n3CC(C(c3cc2)(C)C(=O)OC(=O)O)C)cc1	PC-id_20454641	345.322	HHUSALSCXHXHQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095485
Fc1c(C(=O)c2n3CC(C(c3cc2)(C)C(=O)OC(=O)O)C)cccc1	PC-id_54025599	345.322	LBYFEARZDGHHRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095486
n12ncnc1sc(=Cc1ccc(cc1OC(=O)C)OC(=O)C)c2=O	MCULE-5588302910	345.33	TVNCCHSUJJCCIC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095487
c1(NC(=O)C(C)(C)NC(=O)C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-8881227549,EMOLS-id_322614881	345.34	FKHBXDVAWXYMAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095488
CCC1c2cn[nH]c2CN1S(=O)(=O)c1ccc(cc1)C(F)(F)F	PC-id_25113044,SCHEMBL2194762	345.34	ZWZQGCIYJAHUGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095489
CC[C@@H]1c2cn[nH]c2CN1S(=O)(=O)c1ccc(cc1)C(F)(F)F	PC-id_25113033,SCHEMBL2194755	345.34	ZWZQGCIYJAHUGB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095490
FC(c1cc(ccc1F)S(=O)(=O)NCc1n[nH]c2c1CCC2)F	EMOLS-id_318828405	345.34	NJPYTNGLHZWSEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095491
O=S(=O)(c1ccc(cc1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318880479	345.34	HNJDYCLVCXUUAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095492
c12CN(Cc1nn(CC(F)F)c2C(=O)OC(C)(C)C)C(=O)OCC	MCULE-2935176111,EMOLS-id_324345956	345.342	OCBCOXCBUMUKEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095493
c12CN(Cc1nn(CC(F)F)c2C(=O)OCC)C(=O)OC(C)(C)C	MCULE-3971679835,EMOLS-id_324349024	345.342	MLPGPFAWFFCDLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095494
CCCCc1coc(c1)C(=O)c1ccc2n1CCC2(C(=O)O)C(=O)O	SCHEMBL9689178,PC-id_67906531	345.347	ICWZOVYZCPGYIN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-095495
O(C(=O)C1(CCn2c1ccc2C(=O)c1occc1)C(=O)OCC)CC	PC-id_21736951	345.347	MPEGGDJMIZWRFV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-095496
O=C1NC(=O)C(N1)(CN1Cc2c(C1=O)scc2)c1ccc(cc1)F	SCHEMBL5954966,PC-id_24873167	345.348	IWUPPRSAMXVZDF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095497
CCOc1cc(C(=O)N2Cc3cnn(C)c3C2)ccc1OCC(=O)O	ZINC22_911432820,PC-id_146133337	345.35	MTHYZKPLDOFOTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095498
COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)Cc1cc(OC)cc(OC)c1	ZINC22_1875295888	345.35	UCVMSXRLDBKOSY-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095499
COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)Cc1cc(OC)cc(OC)c1	ZINC22_1875295889	345.35	UCVMSXRLDBKOSY-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095500
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1coc(C)n1	EMOLS-id_207863358,MCULE-9879274725	345.353	AXZBEWLEYQXTBZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095501
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1conc1C	EMOLS-id_207863334,MCULE-6452101290	345.353	YAJLXISWKAFBPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095502
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1ocnc1C	MCULE-8765364770,EMOLS-id_207863331	345.353	AMIUJYROZSYSNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095503
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1OC)OC)CC	STOCK6S-78871,SPECS-id_AN-153/NB21593,MCULE-5894754844,PC-id_135649945,EMOLS-id_27448788	345.353	KCVMKFVWORABQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095504
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(OC)ccc(OC)c1)CC	STOCK6S-83507,SPECS-id_AN-153/NB21587,EMOLS-id_27456136,PC-id_135649937,MCULE-4654012856	345.353	CETLAJQYTSSRTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095505
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)N2	PC-id_135878603,ZINC22_31814033	345.353	KCVMKFVWORABQK-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095506
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)N2	PC-id_135878604,ZINC22_31814037	345.353	KCVMKFVWORABQK-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-095507
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(OC)ccc1OC)C(=O)N2	ZINC22_31816055,PC-id_135878664	345.353	CETLAJQYTSSRTQ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095508
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(OC)ccc1OC)C(=O)N2	ZINC22_31816058,PC-id_135878665	345.353	CETLAJQYTSSRTQ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-095509
CC(C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nnc2n1CCC2	ZINC22_95427684,PC-id_97236142	345.353	DQTHIZUEKNATSW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095510
CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nnc2n1CCC2	ZINC22_95427685,PC-id_97236143	345.353	DQTHIZUEKNATSW-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095511
Oc1cc(cc(c1)[N+](=O)[O-])C(=O)NC(c1nnc2n1CCC2)C(C)C	MCULE-9491189006,EMOLS-id_48273301,PC-id_75384545	345.353	DQTHIZUEKNATSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095512
CC(C)(O)[C@H]1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C1	ZINC22_1615550061	345.36	VBNUECKZEACFOM-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-095513
CC(C)(O)[C@@H]1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C1	ZINC22_1615550064	345.36	VBNUECKZEACFOM-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095514
FC(c1ccc(cc1)/C=C/c1sc2c(c1)S(=O)(=O)NC2)(F)F	PC-id_70256032,SCHEMBL8018346	345.36	HKLPEQGCAGKQEC-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095515
OC1CCC(CC1)(C)NC(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_319666742	345.36	MQSGAXYKRCZHSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095516
O=C(N1CCC(C1)C(O)(C)C)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_317050648,MCULE-7060312268	345.36	VBNUECKZEACFOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095517
S1(=O)(=O)NCc2sc(cc12)C=Cc1ccc(cc1)C(F)(F)F	PC-id_77804891	345.36	HKLPEQGCAGKQEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095518
n12N=C(C(=NNc3nn(c(c3C#N)C)c3ccccc3)c1nnc2C)C	PC-id_57887585	345.361	NSHGYAULOZXFIZ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-095519
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCCc1nnc2n1CCC2	PC-id_100670045,ZINC22_225535955	345.363	QJABZGFTKFFRIW-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-095520
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCCc1nnc2n1CCC2	PC-id_100670055,ZINC22_225535983	345.363	QJABZGFTKFFRIW-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095521
O=C(N1CCC(C1(C)C)C(F)(F)F)NCCc1nnc2n1CCC2	EMOLS-id_53789807,PC-id_121520253,MCULE-4824119976	345.363	QJABZGFTKFFRIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095522
O=C(N1CCCN(CC1)CC(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101581107	345.363	LXYYDPVGNZMJIB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-095523
O=C(N1CCN(C(C1)C)CC(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101418804	345.363	DQDBUWMPNQRVQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095524
O=C(N1CCN(CC1)C(C(F)(F)F)C)NC1CC(n2c1ncc2)C	EMOLS-id_101577165	345.363	LOWZGCQDGCHHRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095525
O=C(NC(c1nnc2n1CCC2)C)NC1CCCC(C1)C(F)(F)F	EMOLS-id_110758382	345.363	XANADOYQZQZARS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095526
O=C(NCCc1nnc2n1CCC2)N(CCC(F)(F)F)C1CCC1	EMOLS-id_49103214,MCULE-5182995058,ZINC22_86429720,PC-id_71972711	345.363	JZXSHHVXISQHJX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-095527
COCCCc1cc2n(c1C(=O)c1ccc(F)cc1)CCC2C(=O)O	PC-id_13780981,CHEMBL353409	345.365	DPSCQKPYHMZFEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095528
O=C(NC1Cc2cscc2C1)c1c[nH]nc1c1c(F)cccc1F	ZINC22_1875348770	345.366	CCWVUWNZAVHAMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095529
CN=C(NC1CCN(C1)CC(F)(F)F)NCc1nnc2n1CCC2	PC-id_111020143	345.367	AMYFYOLBVLWDBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095530
C1Cc2c(C1)[nH]nc2C(=O)NC1COCCC1Oc1cc(ccc1)F	PC-id_90652529	345.368	DAMXYJRBZDMAQU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095531
c1(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c2CCCc2[nH]n1	ZINC22_221312625,MCULE-4999598350,EMOLS-id_50544911	345.368	DAMXYJRBZDMAQU-CVEARBPZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095532
COc1cccc(C2(F)CCN(C(=O)c3cc4n(n3)CCO4)CC2)c1	MCULE-3521211881,EMOLS-id_177278263,ZINC22_378027737	345.368	OFUQLNBIXZITED-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095533
Fc1ccc(cc1)C1(CCOCC1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_318021749	345.368	SLXOKUBUHODVMS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095534
Fc1cccc(c1)CC1(CCOCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_318244952	345.368	TYODPQLKYRUWCR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095535
Fc1ccc(C(=O)Nc2c3c(n(c2)C(=O)OCC)C(NC3)(C)C)cc1	PC-id_68931335	345.368	IUTCCGXRNCLKHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095536
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(O[C@H]2CCCCO2)cc1F	ZINC22_2325805057	345.368	MIYLCNJFKMVAGU-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095537
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(O[C@@H]2CCCCO2)cc1F	ZINC22_2325805058	345.368	MIYLCNJFKMVAGU-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095538
c1(NC(=O)c2ccccc2C(=O)O)sc2c(CCC2)c1C(=O)OC	PC-id_708220,SPECS-id_AT-084/J161555,MCULE-3589294116,SPECS-id_AG-690/11662099,ZINC22_96438,EMOLS-id_1260440,BAS-00675461,SPECS-id_AN-153/I120923,CoCoCo_116405	345.37	ASCGLENEAKALNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095539
OC(=O)CC1CCc2c1sc(c2C(=O)c1ccc(cc1)[N+](=O)[O-])C	SCHEMBL10741044,PC-id_20213644	345.37	GXLUDOQEUDJYQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095540
s1c2CCCc2cc1C(=O)OCC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_7623659	345.37	CBRQPTQPIGKAFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095541
s1c2c(C(CC2)C(=O)O)c(c1NC(=O)Cc1ccccc1)C(=O)O	PC-id_22301628	345.37	UMEHZYCVDTZKGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095542
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NC	PC-id_7474971,MCULE-4132782406,EMOLS-id_334331602	345.373	CINLVMQLTZCCEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095562
CC1CC(c2ncnn12)NCC1CC(=NO1)c1cc(c(cc1)OC)F	MCULE-1842174798,PC-id_136571850,EMOLS-id_317038857	345.371	BPKGYFSCEUHLRX-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-095543
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCCc1ccccc1F	PC-id_134800644	345.371	NHKKMVHYYRTPHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095544
CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)CCS2(=O)=O	NSC380729,CoCoCo_5635255,LI_75177,ZINC22_1591131,PC-id_342841	345.371	VPUCYHQQTIOROU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095545
CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)CS(=O)(=O)C2	PC-id_342836,ZINC22_1591126,CHEMBL65390,CoCoCo_5635249,NSC380724	345.371	CLBYLARREKGXIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095546
COc1ccc(C2=NO[C@H](CN[C@H]3C[C@@H](C)n4ncnc34)C2)cc1F	ZINC22_1616034338	345.371	BPKGYFSCEUHLRX-GMXABZIVSA-N	00000011100000110001100010000000000000000000000000000000	25-01-095547
COc1ccc(C2=NO[C@H](CN[C@@H]3C[C@@H](C)n4ncnc34)C2)cc1F	ZINC22_1616034340	345.371	BPKGYFSCEUHLRX-IFUGULHKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-095548
COc1ccc(C2=NO[C@H](CN[C@@H]3C[C@H](C)n4ncnc34)C2)cc1F	ZINC22_1616034342	345.371	BPKGYFSCEUHLRX-ITDIGPHOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-095549
COc1ccc(C2=NO[C@H](CN[C@H]3C[C@H](C)n4ncnc34)C2)cc1F	ZINC22_1616034343	345.371	BPKGYFSCEUHLRX-WBIUFABUSA-N	00000011100000110001100010000000000000000000000000000000	25-01-095550
Fc1ccc(C2OCCN(C2)C(=O)NCc2n3CCCc3nn2)cc1	EMOLS-id_35718934,MCULE-3985400020,PC-id_53499733	345.371	XPBHGFNTFQZMMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095551
Fc1ccc(c(c1)OCC1CC1)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319277694	345.371	HXFMTUIWJZTPSW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-095552
O=C(C1NCc2c1c[nH]n2)NCc1cc(F)ccc1N1CCOCC1	EMOLS-id_318990316	345.371	WHVORSULFGQGPT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095553
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)F)OC1CCC1	EMOLS-id_319703799	345.371	GJACYGKJGSUXJH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-095554
O=C(NCc1nnc2n1CCC2)N1CCO[C@H](c2ccc(F)cc2)C1	ZINC22_45386940,PC-id_94049175	345.371	XPBHGFNTFQZMMM-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095555
O=C(NCc1nnc2n1CCC2)N1CCO[C@@H](c2ccc(F)cc2)C1	ZINC22_45386944,PC-id_94049176	345.371	XPBHGFNTFQZMMM-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095556
O=C(NCc1nnc2n1CCC2)Nc1ccc(F)cc1OCC1CC1	ZINC22_96420275,MCULE-3705168655,PC-id_72002372,EMOLS-id_49043220	345.371	IBZGDQNXVSRKQM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-095557
C1Cc2c(C1)sc(c2C(=O)N)NC(=O)COc1ccc(cc1)N=O	PC-id_89031921,SCHEMBL13183042	345.373	IOGLDQGFARKHGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095558
c1(NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/I181386,TIMTEC182137,ZINC22_355802,PC-id_831865,EMOLS-id_4024000,MCULE-4109275477,CoCoCo_6449727	345.373	GWZHRLAPTMJFSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095559
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)N	TIMTEC508532,ZINC22_6846519,MCULE-8041018984,CoCoCo_6359195,EMOLS-id_4024022,PC-id_4503987	345.373	VRATVACWMCERQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095560
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334332627,MCULE-9898074472,PC-id_7475026	345.373	MBHHNPMDNVTBAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095561
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NC	PC-id_7474972,MCULE-4058799273,EMOLS-id_334330842	345.373	BRFLIDLUSDKVPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095563
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/I181384,EMOLS-id_4024012,SPECS-id_AK-968/40734613,MCULE-2144633999,PC-id_841590,TIMTEC102908,ZINC22_371664,CoCoCo_2421437	345.373	CMLDUZNXLVEQNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095564
c1(NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_84417647,EMOLS-id_181348423,MCULE-3248596571	345.373	VAJQLEPQDGVFHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095565
Cc1nc(COCc2nc3c(o2)CN(C(=O)c2ccoc2)C3)cs1	PC-id_97406054,ZINC22_96086738	345.373	MSCPLPMJLYDCDN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-095566
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)CC	MCULE-7981657769	345.373	ZXNWAFVDKMHUBC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095567
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)C	MCULE-6545084376	345.373	LRZWMURDFVPFHJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095568
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)c1ccncc1	EMOLS-id_3257422,CoCoCo_3032515,MCULE-4647339029,PC-id_2096840	345.373	OJPWLDVTWPFVFR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095569
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(c([N+](=O)[O-])cc1)C	PC-id_27684457	345.373	IQVWZSWXCWBCTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095570
s1c2CCCc2cc1C(=O)NNC(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_26872837	345.373	UZWSCLUGXIVDBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095571
s1c2CCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_27684229	345.373	DEKIWHXODFUJJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095572
s1c2CCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])c(ccc1)C	PC-id_27684163	345.373	OIOWSLWMEPFJDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095573
s1c2CCCc2cc1C(=O)NNC(=O)Cc1c([N+](=O)[O-])cccc1	PC-id_27684515	345.373	RPXYZAAOJPIUHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095574
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cccnc1)C(=O)N	PC-id_9413491	345.373	VKANJKCFWYBVSJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095575
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(onc1C)C)C#N	PC-id_7549314	345.373	HAWAKLXUJYTYNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095576
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ncccc1)C(=O)N	PC-id_5124677	345.373	IXRDKBQQKSXQQF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095577
c1(NC(=O)CCCn2ncc(N(=O)=O)c2)sc2c(CCC2)c1C#N	EMOLS-id_6805496,TIMTEC408173,MCULE-9755697457,ZINC22_1423523,CoCoCo_1980511,PC-id_1504381	345.376	QPBJGAHIRNZRFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095578
CCOC(=O)c1c(NC(=O)Cn2cnc(C#N)n2)sc2c1CCC2	EMOLS-id_17177496,PC-id_25515002,CoCoCo_4546877,MCULE-2379989934,ZINC22_12791882	345.376	ICCJLPQOIDQNQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095579
N#Cc1c2CCCn2c(c1N)C(=O)Nc1ccc(cc1)S(=O)(=O)N	PC-id_393845,CoCoCo_5763403,NSC696772	345.376	NZDRWFLTDUMIHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095580
N#Cc1c(NC(=O)c2coc(n2)C2CCOCC2)nc2n1CCS2	EMOLS-id_97855116	345.376	KIWYWNKKWSMCCF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095581
N#Cc1c(NC(=O)Cn2nc(c(c2C)N(=O)=O)C)sc2c1CCC2	SPECS-id_AN-153/I277983,PC-id_8487368,MCULE-9575674996	345.376	WWCAQVUMSWRHOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095582
O=C(Cn1nc(oc1=O)c1cccs1)NCc1cnc2n1CCC2	EMOLS-id_319278130	345.376	JBIGHQCRGJTHQP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095583
s1c2c(CCC2)c(c1NC(=O)Cn1c(nnc1)C#N)C(=O)OCC	PC-id_51242073	345.376	AHBDGNWMQGPYAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095584
s1c(NC(=O)c2n3CCCc3nn2)c(c(c1C(=O)OCC)C)C#N	PC-id_43981435	345.376	CYRSRCUUEPNUAS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-095585
n12CCCc1nnc2CNC(=O)c1ccc(CSc2nnc[nH]2)o1	MCULE-5619836709,ZINC22_55153342,PC-id_50958736,EMOLS-id_32223312	345.38	NKTGRVXRWPZXOS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-095586
C/C=CC(=C/C)[C@@H]1C[C@@H](c2n1nc(n2)S(=O)C1CC(C1)(F)F)F	PC-id_142577299	345.383	NYZNZPPNHBIYPN-GOVWOPGVSA-N	00001010100000000001000010000000000000000000000000000000	25-01-095587
N#Cc1c(NC(=O)CCN(CCC(F)(F)F)C)sc2c1CCC2	PC-id_86845352	345.383	KMTZZIBUTYWRSU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095588
Fc1ccc(c(c1)F)C1(CCCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318769862	345.386	HVCRFYHDMMGOGN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095589
Fc1cc(F)cc(c1)C1(CCCC1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319384712	345.386	SCPFKCOJLZDBAO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095590
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OC	PC-id_724688,MCULE-5505173799	345.388	CUZGVSUUIGUQKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095591
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)F)sc2c1CCC2	CoCoCo_5881237	345.388	CUZGVSUUIGUQKZ-YFHOEESVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095592
COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCC2	CoCoCo_5881236,EMOLS-id_26513417,PC-id_724689,ZINC22_131249	345.388	CUZGVSUUIGUQKZ-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095593
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1c(F)ccc(F)c1	PC-id_7640544	345.388	QFWSTULQGQQZMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095594
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1c(F)cc(F)cc1	PC-id_7640557	345.388	SYOSGDWGURNBGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095595
c12c(CCC1C(=O)NC1CC1)sc(NC(=O)c1ccc(cc1)F)n2	MCULE-5238897810,EMOLS-id_12346683,PC-id_16947311	345.391	CGBRXIKEQKSCLN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-095596
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)F)C1	EMOLS-id_323363998,MCULE-1941503131	345.391	WZEWIQVETMQWGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095597
COc1cc(ccc1OCc1ccccc1)/C=C/1Cn2c(C1=O)ccc2	CoCoCo_4588823,CoCoCo_4588822,PC-id_17472349	345.391	BNAWERIGIJOXPU-LDADJPATSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095598
COc1cc(ccc1OCc1ccccc1)C=C1Cn2c(C1=O)ccc2	EMOLS-id_257898377,MCULE-7270633876,PC-id_73393446	345.391	BNAWERIGIJOXPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095599
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)c1ccc(cc1)O	SCHEMBL1004455	345.391	HIHAYUHFNWLTJV-SFQUDFHCSA-N	00000010100000110000100010000000000000000000000000000000	25-01-095600
Fc1ccccc1N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	MCULE-9867397310,EMOLS-id_323417250,PC-id_51233103	345.391	WXJILSCWIQGDDS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095601
O1c2c(n(c(c2)C(=O)c2cc(c(cc2)C)C)Cc2ccccc2)CC1=O	PC-id_18424289,SCHEMBL7677949	345.391	ITYRIWHVDBBZSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095602
O=C([C@@H]1CCn2c1ccc2C(=O)c1ccccc1)OCc1ccccc1	PC-id_102304608	345.391	SUTYQHWTOITHFS-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095603
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC22_25768156	345.391	WXJILSCWIQGDDS-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-095604
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC22_25768158	345.391	WXJILSCWIQGDDS-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095605
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NC1CC1)c1ccc(F)cc1	GD-id_ZINC09131708,PC-id_40945637,CoCoCo_5124796,ZINC22_9131708	345.391	CGBRXIKEQKSCLN-GFCCVEGCSA-N	00100010100000110001000010000000000000000000000000000000	25-01-095606
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NC1CC1)c1ccc(F)cc1	ZINC22_9131707,PC-id_40945636,CoCoCo_5124797	345.391	CGBRXIKEQKSCLN-LBPRGKRZSA-N	00100010100000110001000010000000000000000000000000000000	25-01-095607
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)c1ccccc1C	PC-id_139746938	345.391	NHXMYSHIQMVRKT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-095608
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)c1ccc(cc1)C	PC-id_139746953	345.391	SWDYQKGSVHJEBH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-095609
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)Cc1ccccc1	PC-id_11688781	345.391	SUTYQHWTOITHFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095610
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(c(c1)C)c1ccccc1	PC-id_139746964	345.391	NMMMYQLZHDNWMU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-095611
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)Cc1ccccc1	PC-id_139746968	345.391	QSADVSICOWAHQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095612
O(C(=O)c1[nH]c2CCC(=Cc3cc(ccc3)c3ccc(O)cc3)c2c1)C	PC-id_66873612	345.391	HIHAYUHFNWLTJV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-095613
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCC=C	PC-id_16947204	345.391	DSFRUFCUTURWHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095614
c1(C(=O)NCCc2ccc(c(OC)c2)OC)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_317423713,MCULE-9928556493	345.393	LKGZDXKCSZHRFP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095615
CCC(C1CC(c2n1nc(n2)C(=O)OCC)OCc1ccccc1)O	SCHEMBL20640850,PC-id_137408171	345.393	KIRLMVZIHFNICU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095616
Cc1nccnc1Oc1ccc(cc1)C(=O)c1cc2c([nH]1)C(C=C2)(C)C	PC-id_91437648	345.394	KPKOANBOWODXJD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-095617
N#Cc1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)c1ccc(cc1)C	PC-id_140261639	345.394	WHSSMGPLUGLWMD-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-095618
O=C(Nc1n(nc2c1CCC2)C)c1ccc(cc1)C(=O)c1ccccc1	PC-id_45536274	345.394	UHPWQSDQGOQNGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095619
CC(=O)Nc1scc2c1C(=O)N(C2=O)CCS(=O)(=O)N(C)C	PC-id_142497346	345.395	MTFWAEPTXDMFFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-095620
c1(c2CCCc2[nH]n1)C(=O)N1CCCCC1c1onc(CCOC)n1	PC-id_77083878,EMOLS-id_49875734,MCULE-5966804440	345.396	QVEHRJRBPUDJSH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095621
c1(NC(=O)C=Cc2ccc(N(=O)=O)s2)sc2c(CCC2)c1C#N	MCULE-8550961101,PC-id_4071853	345.396	CVBWZEUAYPFPQD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-095622
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1ccno1)C2	EMOLS-id_44369896,ZINC22_96259175,PC-id_97519262	345.396	WAHGTONNVPAZHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095623
CCOc1cc(ccc1OCC)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319556854	345.396	WUPPIGVMAXPCTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095624
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccc(cc1)N(C)C	SCHEMBL5535696,PC-id_69479395	345.396	PNSRFYGBBHVEOZ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095625
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccc(cc1)N(C)C	SCHEMBL5535699,PC-id_69479396	345.396	PNSRFYGBBHVEOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095626
COc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)OC(C)C	EMOLS-id_319208069	345.396	JQIUEEKHGWYBOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095627
COc1cc(ccc1OC(C)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_318963747	345.396	XSSQPOIHMGYFNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095628
COc1ccc(cc1OC(C)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319523487	345.396	SUVIYQWNAGCWMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095629
COc1cc(ccc1OC)C(NC(=O)NCc1nnc2n1CCC2)C	PC-id_75807299,EMOLS-id_257828440,MCULE-1348339960	345.396	RYEXWPBJOHOLJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095630
COc1cccc(CN(C)C(=O)NCc2nnc3n2CCC3)c1OC	EMOLS-id_31871637,MCULE-7668787812,ZINC22_44895344,PC-id_45803873	345.396	ARNBYUNYFJWYTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095631
COc1ccc(CNC(=O)N(C)Cc2nnc3n2CCC3)cc1OC	PC-id_38204515,MCULE-7705611679,EMOLS-id_31932784,ZINC22_31030240	345.396	AQWBNDJIVVBLNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095632
COc1cc(C(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)on1	ZINC22_1565552496,EMOLS-id_313733843	345.396	XJFIBRHNOKPHBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095633
COCCc1noc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_215380277,PC-id_99930850	345.396	QVEHRJRBPUDJSH-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095634
COCCc1noc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_215380320,PC-id_99930851	345.396	QVEHRJRBPUDJSH-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095635
COC(=O)c1c(NC(=O)N2CCC(C2)N2CC=CC2)nc2n1CCC2	EMOLS-id_319214470	345.396	BRAYLRAIJVEHER-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-095636
N#Cc1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2c1CCC2	ZINC22_4078833,EMOLS-id_30102164,Chemmine_40123,PC-id_6003025,CoCoCo_4974895	345.396	CVBWZEUAYPFPQD-GQCTYLIASA-N	00000010100100000000000010000000000000000000000000000000	25-01-095637
N#Cc1c(NC(=O)/C=Cc2ccc(s2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_4974896	345.396	CVBWZEUAYPFPQD-XQRVVYSFSA-N	00000010100100000000000010000000000000000000000000000000	25-01-095638
O(c1c(NC(=O)NCc2n3CCCc3nn2)ccc(c1)C)CCOC	PC-id_60486668	345.396	MZJAGSRGFRHYNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095639
O(c1c(NC(=O)NCc2n3CCCc3nn2)cccc1)CCCOC	PC-id_60570883	345.396	DTAUEHJFWSFWAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095640
O=C(C1NCc2c1c[nH]n2)NCC(c1ccc(o1)C)N1CCOCC1	MCULE-4992912917,EMOLS-id_320270507	345.396	MCKALRDTYKCSGE-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-095641
O=C(C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)N1CCCC1	EMOLS-id_110387557	345.396	BLNKLMSENSAKIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095642
O=C(NCc1n2CCCc2nn1)c1[nH]c(c(c1CCC)C(=O)OC)C	PC-id_52337973	345.396	FJRLUMLQYPZLLA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-095643
O=C(NCc1n2CCCc2nn1)N[C@H](c1cc(OC)c(OC)cc1)C	PC-id_52216056	345.396	RYEXWPBJOHOLJC-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-095644
O=C(NCc1n2CCCc2nn1)N[C@@H](c1cc(OC)c(OC)cc1)C	PC-id_52216057	345.396	RYEXWPBJOHOLJC-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095645
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)/C=C/c1cccnc1	SCHEMBL2923542,PC-id_68442451	345.398	VVRQPUYACYIPIX-CMDGGOBGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-095646
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)/C=C/c1ccncc1	PC-id_68442127,SCHEMBL2922756	345.398	ICCOKWWLBZBBHQ-VOTSOKGWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-095647
O=C(Nc1n[nH]c2CN(Cc12)Cc1ccccc1)C=Cc1cccnc1	PC-id_68442452	345.398	VVRQPUYACYIPIX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-095648
O=C(Nc1n[nH]c2CN(Cc12)Cc1ccccc1)C=Cc1ccncc1	PC-id_68442128	345.398	ICCOKWWLBZBBHQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-095649
s1c2CCCc2c(c1NC(=O)CSC1=NC(=O)C(=C)N=N1)C#N	PC-id_74663201	345.399	RLMZMYSIPHFLAR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-095650
Cc1cc(CN2CCN(C(=O)NCc3nnc4n3CCC4)CC2)no1	MCULE-1671082986,PC-id_53503499,EMOLS-id_35718938,ZINC22_65422524	345.4	SXWBEJYCYGPYOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095651
Cc1cc(CN2CCN(C(=O)NCc3nnc4n3CCC4)CC2)on1	EMOLS-id_45743137,MCULE-5779478171,ZINC22_55078122,PC-id_71899816	345.4	CKHNIFKMFLEALH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095652
Cn1cc(C(=O)NC[C@@]2(O)CCN(Cc3cc4n(n3)CCC4)C2)nn1	ZINC22_1446755524	345.4	BLOGBXWNEZBNJC-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095653
Cn1cc(C(=O)NC[C@]2(O)CCN(Cc3cc4n(n3)CCC4)C2)nn1	ZINC22_1446755526	345.4	BLOGBXWNEZBNJC-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095654
CN(Cc1noc(C2CCCC2)n1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_177478583,PC-id_121509578,ZINC22_426628787,MCULE-6477158952	345.4	PTRLQGRAWYEYFP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095655
O=C(c1nnn(c1)CCN1CCOCC1)Nc1n(C)nc2c1CCC2	EMOLS-id_318917391	345.4	PQEUARHGUSHZQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095656
O=C(N1CCCCC1c1onc(n1)C)NC(c1nnc2n1CCC2)C	EMOLS-id_99005486	345.4	GSQAEHDOCDMMCW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095657
n12c(C(=C(C1=NCCCCCCCC)C#N)C#N)c(c(c2N)C#N)C#N	PC-id_10926025	345.401	HHVSMTNHBUAFMW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-095658
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)CCCC(C)C)n1	PC-id_19591068,MCULE-9274211136,TIMTEC357640,EMOLS-id_8867641	345.403	OKOXFBVNSPQMKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095659
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)(C)CC(C)(C)C)n1	TIMTEC586976,PC-id_19591094,ZINC22_20607497,MCULE-9561488347,EMOLS-id_8867699	345.403	ZAMLLJBDYVIXFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095660
CC(C)CCC[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_29092440,ZINC22_20607500	345.403	OKOXFBVNSPQMKU-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095661
CC(C)CCC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607499,PC-id_29092439	345.403	OKOXFBVNSPQMKU-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095662
c12CN(Cc1nn(CCF)c2C(=O)OC(C)(C)C)Cc1ccccc1	EMOLS-id_324346469,MCULE-2976542147	345.411	SNSLBUHHIQGBSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095663
C/C=CC=C/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)C(=O)CC1CCOCC1)F	PC-id_137412654,SCHEMBL20646076	345.411	NDCMNDYAJCVZHW-NERXRSMHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095664
CC(CN(C(=O)c1n[nH]c2c1CCC2)CC(c1ccc(cc1)F)O)C	PC-id_112299966	345.411	APSKRMQASIGXSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095665
c1(cccc(C)c1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-9134891970,EMOLS-id_327901539	345.413	FAYOKMULAVUOHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095666
c1(N=Cc2cccc(OCC)c2O)sc2c(CCC2)c1C(=O)OC	MCULE-9692488931	345.413	HUQYUJHHTOGOPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095667
c1(N=Cc2cc(OC)ccc2O)sc2c(CCC2)c1C(=O)OCC	MCULE-5045165858	345.413	JPFSRVPIICGDAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095668
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OC	CoCoCo_908801,TIMTEC281232,PC-id_887159,EMOLS-id_2203076,ZINC22_460473,MCULE-9440197011	345.413	LDHBDVOOMXEXKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095669
c1(NC(=O)c2ccccc2OCC)sc2c(CCC2)c1C(=O)OC	MCULE-3007000946,PC-id_1638482	345.413	RAJJIQSNXVYWCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095670
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AN-153/I176531,CoCoCo_4966746,SPECS-id_AT-084/J171008,SPECS-id_AE-848/34294010,ZINC22_349461,TIMTEC195608,EMOLS-id_3769837,MCULE-6520141195,PC-id_828221	345.413	HMEPWDCYSZEVAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095671
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	ZINC22_64388,CoCoCo_96904,EMOLS-id_1066072,BAS-00572134,MCULE-7687436928,PC-id_692752	345.413	WSQGLSURUFFUHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095672
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)OCC	ZINC22_244047,PC-id_766959,MCULE-1301019201,EMOLS-id_2365669,CoCoCo_1661592,ChEMBL-DNDi_CHEMBL1000-0715	345.413	RMGYAEAFEBMCFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095673
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)O	MCULE-4538818207,PC-id_28860235,EMOLS-id_179129477	345.413	XZYAAYCKPHOBSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095674
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)O	PC-id_28860247,EMOLS-id_179129490,MCULE-5720959475	345.413	XCHWWSBVGCIERD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095675
c1(NC(=O)C(C)Oc2ccccc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4024179,TIMTEC204553,MCULE-7239846511,PC-id_5163952	345.413	HWHCBJLSHNPTNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095676
c1(NC(=O)COc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129538,PC-id_28860289,MCULE-2030783789	345.413	RTFPHCZSAYLRDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095677
c1(NC(=O)COc2ccccc2C)sc2c(CCC2)c1C(=O)OC	PC-id_2789290,ZINC22_4038639,CoCoCo_1708535,TIMTEC541405,ChEMBL-DNDi_CHEMBL2798-1118,MCULE-9226836871,SPECS-id_AT-225/NB60130,EMOLS-id_603965,SPECS-id_AF-399/13428284	345.413	XBSOFNCZGNXOTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095678
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	ZINC22_118513,MCULE-8996713830,EMOLS-id_604053,SPECS-id_AT-225/NB60174,ChEMBL-DNDi_CHEMBL2798-1106,CoCoCo_1708529,SPECS-id_AF-399/13428273,TIMTEC276182,PC-id_718818	345.413	KXQXVAWWGFFXJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095679
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_732126,BAS-00570338,ZINC22_146117,CoCoCo_96716,STOCK1S-82054,EMOLS-id_642090,MCULE-2138540833	345.413	IVOFTJITCQUPMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095680
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)O	MCULE-6904548492,PC-id_28860275,EMOLS-id_179129520	345.413	LOWUGAMNGVLPAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095681
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)O	PC-id_28860279,MCULE-8502002566,EMOLS-id_179129526	345.413	FQDUTAPZSBUZRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095682
c1(NC(=O)COc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)O	PC-id_28860284,EMOLS-id_179129532,MCULE-5485597520	345.413	NJKYVMCZFCSQCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095683
c1(NC(=O)COc2cccc(C)c2)sc2c(CCC2)c1C(=O)OC	MCULE-2264997248,PC-id_1666516	345.413	HIWSWOFUCOQNOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095684
c1(NC(=O)COc2cccc(CC)c2)sc2c(CCC2)c1C(=O)O	PC-id_28860291,EMOLS-id_179129541,MCULE-6831941212	345.413	SSWDGHPNPMCVFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095685
c1([NH+]=Cc2cccc(OC)c2[O-])sc2c(CCC2)c1C(=O)OCC	MCULE-8967717445,ZINC22_254842433	345.413	JELSNNUYZGGWKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095686
CC1(C)CCc2sc(NC(=O)OCc3ccccc3)c(C(=O)O)c12	EMOLS-id_329961196	345.413	LELJHPLQAIFDJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095687
CCc1ccc(cc1)C(=O)c1c(cc2n1CCC2C(=O)O)S(=O)C	SCHEMBL10902073,PC-id_20235110	345.413	FJMZGQWSBZWDRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095688
CCCS(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11443553,PC-id_23333059	345.413	GGUOYVCMPSJZBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095689
CCCS(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	PC-id_70587187,SCHEMBL11443554	345.413	PUGCMTOZXFIWQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095690
CC(Oc1ccc(cc1NC(=O)c1sc2c(c1)CCC2)C(=O)O)C	PC-id_119196304,EMOLS-id_52099117,MCULE-8002892113	345.413	ZVVZOHMHUSYJJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095691
CCOc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_5308646,MCULE-6906785876,CoCoCo_2840951,PC-id_4804290,EMOLS-id_3475073	345.413	CBIKADSCDPVGSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095692
CCOc1cccc(c1O)/C=Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_126993	345.413	HUQYUJHHTOGOPA-GRSHGNNSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095693
CCOc1cccc(c1O)/C=N/c1sc2c(c1C(=O)OC)CCC2	PC-id_135514310,EMOLS-id_25802767,ZINC22_290921,CoCoCo_126992,BAS-00742166	345.413	HUQYUJHHTOGOPA-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095694
CCOc1ccc(C(=O)c2c(SC)cc3n2CCC3C(=O)O)cc1	SCHEMBL10815834,PC-id_13687506,CHEMBL277569	345.413	OUBDKPWZMHIFSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095695
CCOc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_5308753,EMOLS-id_3475075,MCULE-6137668811,PC-id_4804291,CoCoCo_2840980	345.413	XFEWYZZXFPNOEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095696
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C	EMOLS-id_3690123,CoCoCo_2840739,MCULE-4895959034,ZINC22_4581380,PC-id_3904132	345.413	OAWTUCDHXBDFGD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-095697
CCOC(=O)c1c2CCCc2sc1/N=C/c1cccc(OC)c1O	PC-id_135651419,EMOLS-id_26366240,STOCK5S-42005,ZINC22_2229938	345.413	JELSNNUYZGGWKS-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095698
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(OC)ccc1O	EMOLS-id_26254036,PC-id_135648538,STOCK1S-66786,ZINC22_501559	345.413	JPFSRVPIICGDAA-VXLYETTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095699
CCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C	PC-id_70586332,SCHEMBL11439653	345.413	AZAXHOLCPFXTED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095700
CCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C	SCHEMBL11439562,PC-id_23333074	345.413	UEJKDXDKQYCEFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095701
CCOC(=O)c1c(NC(=O)Cc2ccc(O)cc2)sc2CCCc12	MCULE-1272835295,EMOLS-id_328020918	345.413	LQZUPTNYVWULQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095702
CCOC(=O)c1c(sc2c1CCC2)N=Cc1cc(c(cc1)O)OC	PC-id_135709898	345.413	DOAIGBOAGLLORN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095703
CC(S(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O)C	PC-id_23333065,SCHEMBL11438528	345.413	YPUDTYNNUMAYPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095704
COc1cc(ccc1CCNC(=O)c1sc2c(c1)CCC2)C(=O)O	EMOLS-id_72443852,MCULE-2672170296,PC-id_121865892	345.413	JYWSWGUPBGVTJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095705
COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2	PC-id_7291889,CoCoCo_2840855,ZINC22_4581476	345.413	OGGUDQIHWRTBNK-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-095706
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2	PC-id_7291890,CoCoCo_2840856,ZINC22_4581477	345.413	OGGUDQIHWRTBNK-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095707
COc1ccccc1NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_11847175,PC-id_16382366,MCULE-1047486273	345.413	OGGUDQIHWRTBNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095708
COC(=O)c1c2c(CCC2)sc1NC(=O)Cc1ccc(OC)cc1	PC-id_4626463,MCULE-6491129181	345.413	HWLPUJHKXIBCOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095709
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C)S(=O)C	PC-id_20235100,SCHEMBL10812263	345.413	OFZLZBAZVAALCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095710
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)CC	PC-id_23333098,SCHEMBL11442229	345.413	JZRDGSFXIWHEJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095711
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)CC	PC-id_23333137,SCHEMBL11451472	345.413	OJAWDCILPRTVCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095712
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)CC	SCHEMBL11442231,PC-id_70586879	345.413	CUAQUEKFKOGHPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095713
COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2c1CCC2	ZINC22_2768506,PC-id_1223733,CoCoCo_5834694	345.413	HWHCBJLSHNPTNA-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-095714
COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc2c1CCC2	ZINC22_999757,PC-id_5454618,CoCoCo_5834695	345.413	HWHCBJLSHNPTNA-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095715
COC(=O)C(Cc1ccccc1O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_278995739	345.413	BKBKBEXZCUFZTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095716
CSc1cc2n(c1C(=O)c1ccc(cc1)CC)CCC2OC(=O)O	PC-id_70450402,SCHEMBL10817276	345.413	WLSKCECFOSDQEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095717
O=C(N1CCOCC1CC(=O)c1ccco1)c1sc2c(c1)CCC2	PC-id_75381944,MCULE-4247342546,EMOLS-id_48264337	345.413	HEQUFGHKCPGMSZ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-095718
OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C(C)C	PC-id_70585898,SCHEMBL11437483	345.413	QFOQDHJOEYRIEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095719
OC(=O)CCCOc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_120206451,EMOLS-id_53669537,MCULE-8755384143	345.413	GHJIKEHUGMNFTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095720
OC(=O)COc1ccc(cc1)CCNC(=O)c1sc2c(c1)CCC2	MCULE-9041157141,PC-id_119255479,EMOLS-id_52308903	345.413	ZRBVLJXJHCFQBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095721
OC(=O)COc1ccc(cc1)CN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_57443289,PC-id_120391851,MCULE-2297467627	345.413	YNBXBIFZPBCGIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095722
OC(=O)COc1ccc(cc1)C(NC(=O)c1sc2c(c1)CCC2)C	PC-id_121959941,EMOLS-id_72628789,MCULE-3401076192	345.413	DGZSBVFEPUYUAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095723
OC(=O)OC1CCc2c1sc(c2C(=O)c1ccc(cc1)N(C)C)C	SCHEMBL10655897,PC-id_70414302	345.413	IGGUSWQNARQCRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095724
s1c2CCCc2cc1C(=O)NCc1cc(c(OC)cc1)C(=O)OC	PC-id_51156421	345.413	GDMISHHTRQRYMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095725
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc(OC)ccc1)C	PC-id_78514066	345.413	LVUOSNRJQXLNOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095726
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(OC)ccc(c1)C	PC-id_7623827	345.413	DWFPJUUKKWBOKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095727
s1c2CCCc2cc1C(=O)OCC(=O)NCc1ccc(OC)cc1	PC-id_7291983	345.413	KYFZTXDDUXPRBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095728
s1c2CCCc2cc1C(=O)OCC(=O)NCc1cc(OC)ccc1	PC-id_7238770	345.413	UIEROHWKOANATA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095729
s1c2CCCc2cc1C(=O)OCC(=O)NCc1c(OC)cccc1	PC-id_7623826	345.413	BJYGFKBOFYIRLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095730
s1c2CCCc2cc1C(=O)OCC(=O)NCCOc1ccccc1	PC-id_8522592	345.413	SJJSMLUZCNPFPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095731
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(OC)ccc1)C	PC-id_7623743	345.413	LVUOSNRJQXLNOA-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-095732
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(OC)ccc1)C	PC-id_7623745	345.413	LVUOSNRJQXLNOA-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095733
s1c2c(CCC2)c(c1N/C=C/1C=C(OC)C=CC1=O)C(=O)OCC	PC-id_5418733	345.413	UAMKTACFUWMWDC-ZHACJKMWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095734
s1c2c(CCC2)c(c1N/C=C
/C=C(OC)C=CC1=O)C(=O)OCC	PC-id_6538216	345.413	UAMKTACFUWMWDC-KHPPLWFESA-N	00000010100011000000000010000000000000000000000000000000	25-01-095735
s1c2c(CCC2)c(c1NC=C1C=C(OC)C=CC1=O)C(=O)OCC	PC-id_6746453	345.413	UAMKTACFUWMWDC-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095736
s1c2c(CCC2)c(c1N/C=C/1C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_24016939	345.413	GYBJJQWRZDLGBP-KHPPLWFESA-N	00000010100011000000000010000000000000000000000000000000	25-01-095737
s1c2c(CCC2)c(c1NC=C1C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_74203782	345.413	GYBJJQWRZDLGBP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095738
s1c2CCCc2c(c1N=Cc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_23738357	345.413	XKKUYUBODVJDQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095739
s1c2c(CCC2)c(c1N=Cc1cc(O)c(OC)cc1)C(=O)OCC	PC-id_23941017	345.413	RABKXANEXZKPRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095740
s1c2c(CCC2)c(c1N/C=C
/C(=O)C(=CC=C1)OCC)C(=O)OC	PC-id_5406850	345.413	DRYCXPZOBZPJIX-ZHACJKMWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095741
s1c2c(CCC2)c(c1NC=C1C(=O)C(=CC=C1)OCC)C(=O)OC	PC-id_6742986	345.413	DRYCXPZOBZPJIX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095742
s1c2c(CCC2)c(c1N/C=C
/C(=O)C(=CC=C1)OC)C(=O)OCC	PC-id_23961182	345.413	GISFEPHIPDNMHD-ZHACJKMWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095743
s1c2c(CCC2)c(c1N/C=C/1C(=O)C(=CC=C1)OC)C(=O)OCC	PC-id_5591711	345.413	GISFEPHIPDNMHD-KHPPLWFESA-N	00000010100011000000000010000000000000000000000000000000	25-01-095744
s1c2c(CCC2)c(c1NC=C1C(=O)C(=CC=C1)OC)C(=O)OCC	PC-id_6771985	345.413	GISFEPHIPDNMHD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-095745
s1c2c(CCC2)c(c1NC(=O)c1cc(OCC)ccc1)C(=O)OC	PC-id_4957412	345.413	JOETVQYSGHUOEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095746
s1c2c(CCC2)c(c1NC(=O)CCc1ccc(OC)cc1)C(=O)O	PC-id_23797121	345.413	MLYVLKHUPINQKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095747
s1c2c(CCC2)c(c1NC(=O)C=Cc1oc(cc1)C)C(=O)OCC	PC-id_923460	345.413	WUBZIWYZGSDUSH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-095748
s1c2c(CCC2)c(c1NC(=O)/C=C/c1oc(cc1)C)C(=O)OCC	PC-id_923461	345.413	WUBZIWYZGSDUSH-MDZDMXLPSA-N	00000010101000000000000010000000000000000000000000000000	25-01-095749
s1c2c(CCC2)c(c1NC(=O)CCOc1ccccc1)C(=O)OC	PC-id_4340799	345.413	MWELMZYLAACSHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095750
S1[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)Cc1ccccc1	PC-id_11198762	345.413	KZTISVPBASMSGY-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095751
S1C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)Cc1ccccc1	PC-id_85432364	345.413	KZTISVPBASMSGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095752
c1(NC(=S)NC(=O)c2ccccc2F)sc2c(CCC2)c1C#N	PC-id_3995983,EMOLS-id_1702730,MCULE-5651575353,ZINC22_4699732,CoCoCo_6153793	345.414	LRPAQNNWGQIVMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095753
c1(NC(=S)NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C#N	PC-id_960687,EMOLS-id_1703116,ZINC22_570036,MCULE-3685878802,CoCoCo_6153791	345.414	SXGOFBZFPAPBLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095754
Fc1ccc(CN(C(=O)NC(c2n3CCCc3nn2)C(C)C)C)cc1	PC-id_60273779	345.414	NQUVZVKBWJHWTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095755
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(F)cc1)C#N	PC-id_4955502	345.414	QYSQRSKKDHLOJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095756
OCCCS(=O)(=O)c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380753,PC-id_118614478	345.415	YFPRETDGRKXUHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095757
c1(NC(=O)C=Cc2ccc(cc2OC)OC)n(C)nc2CSCc12	MCULE-6615874833	345.416	RHWQFBUWUIYIGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095758
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)n(C)nc2CSCc12	MCULE-3712698438	345.416	GWJRZDCRNVZHID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095759
c1(NC(=O)C=Cc2cc(OC)ccc2OC)n(C)nc2CSCc12	MCULE-6333136395	345.416	NFJDXFYMDLYERX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095760
c1(NC(=O)C=Cc2cnn(C)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-1121589838,PC-id_844242	345.416	JKKXEZAZNVWWPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095761
c1(NC(=O)CNCc2cccnc2)sc2c(CCC2)c1C(=O)OC	PC-id_44216482,MCULE-8969467916,CoCoCo_6964812,EMOLS-id_30081142,ZINC22_36646058,SPECS-id_AO-476/43417047	345.416	ILRXZRAPMIUHBB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095762
c1(NC(=O)COc2ccccc2OCC=C)n(C)nc2CSCc12	EMOLS-id_334564540,MCULE-3635260797	345.416	ZQDTZQLFKILBJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095763
c1(NC(=O)NCc2ccccn2)sc2c(CCC2)c1C(=O)OCC	MCULE-7853605177,PC-id_17584200,ZINC22_6672312,STOCK6S-12521,CoCoCo_1095285,EMOLS-id_4743389	345.416	YSESOZAJDISLRC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095764
c1(NC(=O)NCc2cccnc2)sc2c(CCC2)c1C(=O)OCC	ZINC22_6672884,STOCK6S-13949,EMOLS-id_4745490,CoCoCo_1105392,MCULE-2510799577,PC-id_17584668	345.416	DLASKVMDIRZTQI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095765
c1(NC(=O)NCc2ccncc2)sc2c(CCC2)c1C(=O)OCC	STOCK6S-09034,PC-id_8034991,EMOLS-id_4738196,MCULE-9982959313,ZINC22_6669856,CoCoCo_1111610	345.416	BXMAJDNCTLFYQE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095766
Cc1cc(c(cc1NC(=O)NCc1c2CN(C(=O)c2cs1)C)O)C	SCHEMBL20329534,PC-id_135178839	345.416	DRPOJJIJQYTHHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095767
Cc1cc(CC(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)no1	EMOLS-id_49019005,ZINC22_96406128,PC-id_72014267,MCULE-3816209647	345.416	HBODKLYSJOTINX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095768
CCc1ncoc1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2	MCULE-1638640067,ZINC22_1775999754,EMOLS-id_316999230	345.416	VPYUQRQUKQYVOD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095769
CCCc1nc2s/c(=Cc3ccc(OCC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324847332	345.416	DNVFIAKHXBIQAJ-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095770
CCCc1nc2s/c(=Cc3ccc(OC)c(OCC)c3)/c(=O)n2n1	EMOLS-id_324848355	345.416	HJWQTWOAOOIMMB-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095771
CCC(CC)c1nc2s/c(=Cc3ccc(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324850923	345.416	PJYNSYSNEUQHEL-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095772
CCCCCOc1ccc(cc1OC)/C=c/1sc2n(c1=O)ncn2	EMOLS-id_4429987,ZINC22_13785481,STOCK2S-24183	345.416	QTNUMARRYUFFTA-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095773
CCCCCOc1ccc(/C=c/sc3ncnn3c2=O)cc1OC	EMOLS-id_45962307,ZINC22_1817135	345.416	QTNUMARRYUFFTA-XNTDXEJSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095774
CCCCOc1ccc(cc1OCC)/C=c/1sc2n(c1=O)ncn2	STOCK3S-30149,EMOLS-id_4494540,ZINC22_13618246	345.416	NANORZYAHZYCLW-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095775
CCCCOc1ccc(/C=c/sc3ncnn3c2=O)cc1OCC	EMOLS-id_1126636,ZINC22_2362671	345.416	NANORZYAHZYCLW-XNTDXEJSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095776
CCCOc1ccc(/C=c/2sc3nc(CC)nn3c2=O)cc1OC	EMOLS-id_324843754	345.416	VOXOSYHBCXDLQG-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095777
CCCOc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1OCC	EMOLS-id_324845280	345.416	HCIAZWRRBYIDER-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095778
CC(C(=O)O)NC(=O)c1ccc(cc1)NCc1sc2c(n1)CCC2	PC-id_146109377,MCULE-2597629489,EMOLS-id_324067697	345.416	AJMMGPHRQBDRCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095779
C[C@H](NC(=O)c1ccc(NCc2nc3c(s2)CCC3)cc1)C(=O)O	ZINC22_901711607	345.416	AJMMGPHRQBDRCF-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-095780
C[C@@H](NC(=O)c1ccc(NCc2nc3c(s2)CCC3)cc1)C(=O)O	ZINC22_901711608	345.416	AJMMGPHRQBDRCF-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095781
CCOc1cc(/C=c/2sc3nc(CC(C)C)nn3c2=O)ccc1O	EMOLS-id_324857070	345.416	AKPQSSBNOOPFOW-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095782
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(C)C)ccc1OC	EMOLS-id_324846317	345.416	IYNRVHYVRDTKPW-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095783
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)ccc1O	EMOLS-id_324850914	345.416	PSXSCKLJOODJTI-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-095784
CCOc1ccc(/C=c/2sc3nc(CC)nn3c2=O)cc1OCC	EMOLS-id_324842730	345.416	NXSLJVZJRDUVDF-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095785
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1OC	EMOLS-id_324849389	345.416	URDDNDVKROWHAX-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095786
CCOc1cccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)c1O	EMOLS-id_324861153	345.416	YHNNXVDLXBDHSX-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-095787
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1O	EMOLS-id_324850917	345.416	WHZBEHKOMLBCNT-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095788
CC(=O)c1cccc(O[C@H](C)C(=O)NCc2cn3c(n2)SCC3)c1	ZINC22_521394060	345.416	YTNCTCLPAAMOIB-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095789
CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2cn3c(n2)SCC3)c1	ZINC22_521394061	345.416	YTNCTCLPAAMOIB-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095790
CCOC(=O)c1c(NC(=O)CCc2cncnc2)sc2CCCc12	MCULE-2622029954,EMOLS-id_328137155	345.416	RCIGEDGZRJAUEM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-095791
CCOC(=O)c1c(NC(=O)/C=Cc2cnn(c2)C)sc2c1CCC2	PC-id_92900714,CoCoCo_5826629	345.416	JKKXEZAZNVWWPI-FPLPWBNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095792
CCOC(=O)c1c(NC(=O)/C=C/c2cnn(C)c2)sc2c1CCC2	PC-id_844243,ZINC22_375492,TIMTEC240663,EMOLS-id_25981891,CoCoCo_5826628	345.416	JKKXEZAZNVWWPI-BQYQJAHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095793
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCCC(C)C	ZINC22_13810469,EMOLS-id_2409211,STOCK2S-54958,ChEMBL-DNDi_CHEMBL4341-3116	345.416	ZKIOMIXBTKKJIR-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095794
COc1cc(/C=c/sc3ncnn3c2=O)ccc1OCCC(C)C	ZINC22_187546,EMOLS-id_207280640	345.416	ZKIOMIXBTKKJIR-OQLLNIDSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095795
COc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1OC	EMOLS-id_324855534	345.416	KKRHEXUOVNWRCH-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095796
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1OC	EMOLS-id_324853473	345.416	BHZBVJUMFOSNCA-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-095797
COc1cccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)c1OC	EMOLS-id_324859106	345.416	KHTIGTTYCRRVQE-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-095798
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1OC	EMOLS-id_324852965	345.416	RBJSRSDNVAPQCQ-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095799
COc1ccc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc1OC	EMOLS-id_334563769	345.416	GWJRZDCRNVZHID-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095800
COc1ccc(/C=C/C(=O)Nc2c3CSCc3nn2C)c(OC)c1	EMOLS-id_334562233	345.416	RHWQFBUWUIYIGY-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095801
COc1ccc(OC)c(/C=c/2sc3nc(CC(C)C)nn3c2=O)c1	EMOLS-id_324859618	345.416	QAZAPGKHEZEOFM-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095802
COc1ccc(OC)c(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)c1	EMOLS-id_324853477	345.416	LBTZDVHTZMYUKI-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-095803
COc1ccc(OC)c(/C=C/C(=O)Nc2c3CSCc3nn2C)c1	EMOLS-id_334562238	345.416	NFJDXFYMDLYERX-QPJJXVBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095804
COCCN(C)C(=O)c1cc2c(s1)CCN2C(=O)c1cccnc1	ZINC22_96264530,PC-id_97524469	345.416	BPHYSGFYCFSZNF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095805
n12c(=O)c(=Cc3ccc(c(OC)c3)OCC)sc1nc(C(C)C)n2	MCULE-7026207098	345.416	URDDNDVKROWHAX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095806
n12c(=O)c(=Cc3cccc(OC)c3OC)sc1nc(C(C)(C)C)n2	MCULE-3232843680	345.416	RBJSRSDNVAPQCQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095807
n12c(=O)c(=Cc3ccc(c(OC)c3)OC)sc1nc(C(C)(C)C)n2	MCULE-8049152563	345.416	BHZBVJUMFOSNCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095808
n12c(=O)c(=Cc3ccc(c(OC)c3)O)sc1nc(C(CC)CC)n2	MCULE-4097846253	345.416	PJYNSYSNEUQHEL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095809
n12c(=O)c(=Cc3ccc(c(OCC)c3)OC)sc1nc(C(C)C)n2	MCULE-9961044112	345.416	IYNRVHYVRDTKPW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095810
n12c(=O)c(=Cc3ccc(c(OCC)c3)O)sc1nc(C(C)(C)C)n2	MCULE-6014276685	345.416	PSXSCKLJOODJTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095811
n12c(=O)c(=Cc3cccc(OCC)c3O)sc1nc(C(C)(C)C)n2	MCULE-6637787780	345.416	WHZBEHKOMLBCNT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095812
n12c(=O)c(=Cc3cc(OC)ccc3OC)sc1nc(C(C)(C)C)n2	MCULE-3368708158	345.416	LBTZDVHTZMYUKI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095813
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)CC(C)C	MCULE-3611394612	345.416	KKRHEXUOVNWRCH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095814
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CC(C)C	MCULE-7559783707	345.416	KHTIGTTYCRRVQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095815
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)CCC	MCULE-8134105378	345.416	DNVFIAKHXBIQAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095816
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)CC	MCULE-7351984661	345.416	VOXOSYHBCXDLQG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095817
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)C	MCULE-5550262308	345.416	FWZOFLHVNQBFCZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095818
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCCCCC)c2=O	EMOLS-id_300031931,MCULE-2247247094	345.416	QTNUMARRYUFFTA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095819
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCCC(C)C)c2=O	EMOLS-id_688758,MCULE-2154625712	345.416	ZKIOMIXBTKKJIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095820
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CC(C)C	MCULE-8139909453	345.416	YHNNXVDLXBDHSX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095821
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)O)c2=O)CC(C)C	MCULE-8990183233	345.416	AKPQSSBNOOPFOW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095822
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC)c2=O)CCC	MCULE-8535937977	345.416	HJWQTWOAOOIMMB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095823
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)CC	MCULE-3827132060	345.416	NXSLJVZJRDUVDF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095824
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)C	MCULE-9097277698	345.416	HCIAZWRRBYIDER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095825
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCCCC)c2=O	MCULE-3620141935,EMOLS-id_299969746	345.416	NANORZYAHZYCLW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095826
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)CC(C)C	MCULE-7794709608	345.416	QAZAPGKHEZEOFM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095827
O=C(C1(CC1)S(=O)(=O)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_320160727,MCULE-3244606927	345.416	UVNFOENAFBZPNE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-095828
O=C(C1(CC1)S(=O)(=O)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319461586	345.416	JNARHTDFUGUIPS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-095829
O=C(c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1)C1CCC1	MCULE-2832013726,ZINC22_330141014,EMOLS-id_100491711	345.416	PUKCVTVKJMTNCT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-095830
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)n1ncc(c1)C(=O)O	EMOLS-id_72660357,PC-id_121975730,MCULE-5860448425	345.416	ITCRCAOLBDYZKN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095831
OCCCCCNC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	PC-id_59043154,SCHEMBL7152040	345.416	ZMLJQFHUJNTNOU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-095832
OCCCCCNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7152035	345.416	ZMLJQFHUJNTNOU-XFXZXTDPSA-N	00000010110000000000000010000000000000000000000000000000	25-01-095833
OCCCCCNC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	SCHEMBL7152038,PC-id_22976084	345.416	ZMLJQFHUJNTNOU-FMIVXFBMSA-N	00000010110000000000000010000000000000000000000000000000	25-01-095834
O=C(C(Oc1cccc(c1)C(=O)C)C)NCc1cn2c(n1)SCC2	EMOLS-id_177265087,MCULE-1735470991	345.416	YTNCTCLPAAMOIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095835
O=C(N1CCC(C1)c1ccon1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318800434	345.416	VDABWPBYJHNNAN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095836
s1c2CCCc2cc1C(=O)NNC(=O)c1[nH]c(c(c1C)C(=O)C)C	PC-id_24414308	345.416	HTQZVIBLJGOGFT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-095837
s1c2c(CCC2)c(c1NC(=O)c1[nH]c(c(c1C)C(=O)C)C)C(=O)N	PC-id_2554455	345.416	DALFLCHEJGTHJT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-095838
s1c2c(CCC2)c(c1NC(=O)CNc1c(OC)cccc1)C(=O)N	PC-id_9345239	345.416	QQMNSGCTLKFRQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095839
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccccc1)C(=O)[O-]	PC-id_3678740	345.416	XCKSMPCWJDMWSH-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-095840
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCOC	PC-id_16947046	345.416	FKLHWNFMBGFTSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095841
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCC	PC-id_16947834	345.416	ICXONUUPPSGNAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095842
s1c2CCCc2nc1NC(=O)C1CCN(CC1)C(=O)c1occc1	PC-id_33040243	345.416	OJCYYLOAJOBKBT-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-095843
s1c2CCCc2nc1NC(=O)CCNC(=O)c1c(OC)cccc1	PC-id_33039016	345.416	VNHRVOAJTOKHTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095844
s1c2CCCc2nc1NC(=O)CNC(=O)c1ccc(OCC)cc1	PC-id_33040297	345.416	DZCPREYALWYICJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095845
s1c2CCCc2nc1NC(=O)CNC(=O)c1c(OCC)cccc1	PC-id_33040277	345.416	VUOCHLBGWXEVIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095846
Cc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_324915720	345.418	GKBMAHOWAXHQPQ-VBEVGYOXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095847
Cc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021672,EMOLS-id_45970152	345.418	UBDARKHWOOXJEY-VBEVGYOXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095848
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_45964845,ZINC22_16735443	345.418	LFISLGGUHWKYIA-VBEVGYOXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095849
Cc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_324918791	345.418	LLLQQXCTAHUTIU-HNMBUVAWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095850
COC(=O)c1ncsc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_104255242	345.418	HGRKDFQNQIBUNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095851
n12nc(nc1sc(=Cc1ccccc1)c2=O)C=Cc1ccc(cc1)C	MCULE-2888403422	345.418	LFISLGGUHWKYIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095852
n12nc(nc1sc(=Cc1ccccc1C)c2=O)C=Cc1ccccc1	MCULE-2509674238	345.418	GKBMAHOWAXHQPQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095853
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)C=Cc1ccccc1	MCULE-9342582969	345.418	UBDARKHWOOXJEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095854
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)C=Cc1ccccc1	MCULE-6687554663	345.418	LLLQQXCTAHUTIU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095855
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)Cc1ccccc1	MCULE-2361400437	345.418	AJXFEUGMBNUQBI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095856
C1CCC(C1)N1CC(CC1=O)C(=O)Nc1c(n2CCSc2n1)C#N	PC-id_136526501,EMOLS-id_99352999,MCULE-9250484796	345.419	RLHKSCAJEJENMX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095857
c1(sc2c(CCC2)n1)NC(=O)C1CCN(CC1)c1ccc(=O)[nH]n1	MCULE-4569780612,EMOLS-id_323419845	345.419	VBKXOUXQBQCIAU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-095858
Cc1[nH]nc(n1)C1CN(C1)C(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319944413,MCULE-9237024370	345.419	ZAAXNUKRAYGQAC-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-095859
CSc1cccc(c1)NC(=O)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_48318556,PC-id_75400207,MCULE-3186839096	345.419	APECCRVPVGSARE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095860
CSc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1	PC-id_97257586,ZINC22_95461163	345.419	APECCRVPVGSARE-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-095861
CSc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCC3)c1	ZINC22_95461164,PC-id_97257587	345.419	APECCRVPVGSARE-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095862
N#Cc1c(NC(=O)C2CCCN(C2)C(=O)C2CC2)nc2n1CCS2	EMOLS-id_110839100	345.419	HKWKZTHJTLBCPW-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-095863
N#Cc1c(NC(=O)CCc2ncc(o2)C(C)(C)C)nc2n1CCS2	EMOLS-id_97855176	345.419	ZBIMVENOBDRFII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095864
N#Cc1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)nc2n1CCS2	ZINC22_329573588	345.419	RLHKSCAJEJENMX-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-095865
N#Cc1c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc2n1CCS2	ZINC22_329573590	345.419	RLHKSCAJEJENMX-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095866
O=C(C1CCCN(C1)c1ccc(nn1)C)Nc1onc2c1CSC2	PC-id_121118573	345.419	KWDLJKGTRZWUGH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-095867
O=C(C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)Nc1nccs1	EMOLS-id_48219676,MCULE-9805096822,PC-id_75404723	345.419	PMWKIXFIDLSSBU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095868
O=C(C1CCN(CC1)c1ccc(nn1)C)Nc1onc2c1CSC2	PC-id_121118938	345.419	CITPCDJJFGCYNT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-095869
O=C(C1NCc2c1c[nH]n2)N1CCC(CC1)NC(=O)c1cscc1	EMOLS-id_319732405	345.419	DIAWEAWVXURBIB-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-095870
O=C(Cc1csc(n1)N1CCCC1=O)NCc1cnc2n1CCC2	EMOLS-id_320030775,MCULE-9152379022	345.419	STEUFDYEQGBZMM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095871
O=C(Cc1csc(n1)N1CCCC1=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319196076	345.419	KORIPJUVHKFTMY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095872
O=C(CNC(=O)c1cc2c(s1)CCC2)NCc1nncn1C1CC1	PC-id_75420847,ZINC22_73111517,EMOLS-id_48234912	345.419	KMTHHJHLOOKQHQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-095873
O=C(N1CCC[C@@H]1c1nc[nH]n1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319112348	345.419	QDEVOPVWMFHMEV-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095874
O=C(Nc1ccc(nc1)N(C(=O)C)C)NCc1sc2c(n1)CCC2	MCULE-6112759931,EMOLS-id_316327315	345.419	RHDPDLGPXQSOIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-095875
O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97194228,ZINC22_95365180	345.419	PMWKIXFIDLSSBU-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-095876
O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_95365179,PC-id_97194227	345.419	PMWKIXFIDLSSBU-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095877
CCc1nnc2sc(CCNC(=O)c3nn(C)c4CCCc34)nn12	EMOLS-id_320481291,PC-id_84467398,MCULE-7586812030	345.423	MYWIJUUHBVLFHH-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-095878
Fc1ccc(cc1)C(CN(C(=O)c1sc2c(c1)CCC2)C1CC1)O	PC-id_112305232	345.431	MOTXDJLKCPMPAA-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-095879
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)CSCC1CC1	EMOLS-id_82719005,MCULE-4496016603,ZINC22_426501940,PC-id_118776201	345.434	WLJQJGPUCNMGOB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-095880
C1(c2ccccc2F)(C(=O)NCc2cn3c(SCC3)n2)CC1(C)C	MCULE-7340726673,PC-id_77088027,EMOLS-id_49882969	345.434	RDOSIEOTZVJYBT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095881
CC1(C)C[C@]1(C(=O)NCc1cn2c(n1)SCC2)c1ccccc1F	ZINC22_215718950,PC-id_99935600	345.434	RDOSIEOTZVJYBT-GOSISDBHSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095882
CC1(C)C[C@@]1(C(=O)NCc1cn2c(n1)SCC2)c1ccccc1F	ZINC22_215718995,PC-id_99935602	345.434	RDOSIEOTZVJYBT-SFHVURJKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-095883
CCOC(=O)c1cc2c([nH]1)C(CC2)Cc1ccc(cc1)c1ccccc1	PC-id_59180090,SCHEMBL2074481	345.434	CFLMNTYEHBBSHM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-095884
CCOC(=O)C(C1CCn2c1ccc2)(c1ccccc1)c1ccccc1	PC-id_142629725	345.434	UFVVZMWFRXDKCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095885
O=C(c1sc2c(c1)CCC2)N1CCN(C(C1)C)c1ccncc1F	MCULE-9883158264,EMOLS-id_320035912	345.434	YBHWZSOSQNSHBB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-095886
O(C(=O)C(c1n2CCCc2cc1)(c1ccccc1)c1ccccc1)CC	PC-id_54402187	345.434	VOEYHSTZTOZQHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095887
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(F)cc1	PC-id_44060300	345.434	JRILXERLJKWJSC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095888
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(F)ccc1	PC-id_44060299	345.434	XOZBQFSGKOZMPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095889
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(F)cccc1	PC-id_44060298	345.434	NRTDTMVPCOMLIL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-095890
CCc1cc[n+](cc1)CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	GD-id_ZINC22446015	345.436	BRAYRZPWLYYQBF-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-095891
CCOC(=O)c1c(NC(=O)C[n+]2cccc(c2)C)sc2c1CCC2	GD-id_ZINC22404407	345.436	GANWTTQTBAQYEG-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-095892
COc1ccccc1CCCNCCCn1c(c2CCCn2c1=O)O	PC-id_91581860	345.436	DMQNOCKHRHOIHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095893
COc1ccccc1CCNCCCCn1c(c2CCCn2c1=O)O	PC-id_90740495	345.436	DKMKXQQIVDPRDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095894
COC(=O)c1c(NC(=O)C[n+]2ccccc2CC)sc2c1CCC2	GD-id_ZINC15460403	345.436	OMFKKXOJLVETRJ-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-095895
s1c2c(CCC2)c(c1NC(=O)C[n+]1c(cccc1)C)C(=O)OCC	PC-id_8717557	345.436	PPURMRMJXLARRX-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-095896
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1ccccc1)C(=O)OC	PC-id_51861624	345.436	CYADAOXSYHNNSA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-095897
Cc1ccc(N)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-1353624175,EMOLS-id_328216958	345.438	OWMOPUIJAVZUQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095898
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(N)c1	MCULE-8824090911,EMOLS-id_328217214	345.438	GTIXKODPZNYELE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095899
CNc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328220029,MCULE-2677881654	345.438	YDIZDFBKXMESHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095900
CN(C(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1N	EMOLS-id_328339352,MCULE-7350756526	345.438	QYUJOESTMHVATQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095901
O=C(Nc1n(nc2c1CCC2)C)CC(c1ccccc1)c1ccccc1	PC-id_45536821	345.438	SQLLXANJARVTOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095902
c1(NC(=S)NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-7466213393,PC-id_4504215,ZINC22_3079082,CoCoCo_6038591	345.439	IRRJZAVFRDACKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095903
Cc1oc(c2cccs2)nc1CC(=O)Nc1nc2c(s1)CCC2	ZINC22_25769350,PC-id_33041057,MCULE-5788722323,EMOLS-id_25657614,CoCoCo_4609794	345.439	ANLYHAUSACTVKI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095904
CCc1oc(C(=O)NCc2nnc3n2CCC3)cc1CN(CC)CC	EMOLS-id_31611908,MCULE-8956585254,ZINC22_55211113,PC-id_46989599	345.439	FCHYIWBRVCYTEQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-095905
CC(C(=O)N1CCCC1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111953640	345.439	COJLSADMDWJSCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095906
C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_93835338,ZINC22_42140326	345.439	BDHYXQZBTZEBGB-JTQLQIEISA-N	00000010100000101000000010000000000000000000000000000000	25-01-095907
C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_93835339,ZINC22_42140329	345.439	BDHYXQZBTZEBGB-SNVBAGLBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095908
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1	BindingDB_PC-id_54580960,PC-id_54580960	345.439	SYCCUDVKTARJAW-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-095909
CN1CCN(CC1)C(=O)C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_49907427,PC-id_86812932,MCULE-7394518045	345.439	KFKRCUBFDHAZJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095910
CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1	PC-id_99845950,ZINC22_195529907	345.439	KFKRCUBFDHAZJM-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095911
O=C(c1cnn2c1CCC2)N1CCC(Oc2ccc(Cl)cc2)CC1	ZINC22_2325782218	345.823	FMOVSOWQQFRZRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096179
CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1	PC-id_99845951,ZINC22_195529908	345.439	KFKRCUBFDHAZJM-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095912
COC(=O)/C(=c
/sc2n(c1=S)c(c(n2)C)C)/Nc1ccccc1	PC-id_102169349	345.439	YWHLATBSQZNJST-SEYXRHQNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-095913
N#Cc1c(NC(=O)C(Sc2cccc[n+]2[O-])C)sc2c1CCC2	PC-id_75362307,EMOLS-id_44522948	345.439	BDHYXQZBTZEBGB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-095914
NC(=O)c1c(NC(=O)C(=S)Nc2ccccc2)sc2c1CCC2	SPECS-id_AN-153/I133548,PC-id_717406,MCULE-5498031037,ZINC22_115990,Chemmine_58666	345.439	MDQIZLDTXOMSKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095915
O=C(C1CCCN1)NCC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2	MCULE-3815492268,EMOLS-id_301990257,PC-id_120033134	345.439	YAZLAZFXLFRQBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095916
O=C(C1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C)NCC1CC1	EMOLS-id_101435196	345.439	RMNWMJWAABUBSB-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-095917
O=C(C1CN(C1)C(=O)C1CCCCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_101476718	345.439	CEGFKIFSRPFNLV-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-095918
O=C(N1CCCCC1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110447662	345.439	FXCYPHFFDAZNAG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095919
O=C(N1CCN(CC1)CCNC(=O)c1n[nH]c2c1CCC2)C1CCC1	EMOLS-id_98266085	345.439	FUTHQRKNMVFIKA-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-095920
O=C(N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2)CCC1CCCC1	EMOLS-id_318910316	345.439	BFNJDHWAFZFJJV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095921
O=C(N1CCN(C(=O)c2c3c(CCC3)[nH]n2)CC1)NC1CCCCC1	EMOLS-id_110749324,MCULE-1024862417	345.439	XRTOMGHGWFYDED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-095922
O=C(NC1CC(n2c1ncc2)C)NC1CC(=O)N(C1)C1CCCCC1	EMOLS-id_101646826	345.439	CFFPGVLVMFGSJG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095923
s1c2c(CCC2)c(c1NC=C(c1scc(n1)C)C#N)C(=O)OC	PC-id_84841705	345.439	FTQAGZCSKYHXMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095924
s1c2c(CCC2)c(c1N/C=C(/c1scc(n1)C)C#N)C(=O)OC	PC-id_8811897	345.439	FTQAGZCSKYHXMK-JXMROGBWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095925
c1(C(=O)NCc2cn3c(SCC3)n2)[nH]nc(c2ccc(C)s2)c1	EMOLS-id_44712237,MCULE-2325620117,PC-id_70728791,ZINC22_91519374	345.442	ITOKEMZTMHLSJT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095926
c1(NC(=O)c2c(C)nc(n3cccc3)s2)n(C)nc2CSCc12	EMOLS-id_188944786,ZINC22_604419013,MCULE-5013459542,STOCK7S-67385	345.442	JVPGIJPDMSVABV-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-095927
c1(NC(=O)Cc2csc(n3cccc3)n2)n(C)nc2CSCc12	MCULE-9732022528,PC-id_71707048,STOCK7S-33561,EMOLS-id_44210578,ZINC22_79486430	345.442	XCPMHIYAFCEJBJ-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-095928
Cc1nc(c2ccsc2)sc1C(=O)NCc1nnc2n1CCC2	MCULE-2730290894,ZINC22_48285566,PC-id_47016903,EMOLS-id_30678174	345.442	DIDZJYIAJWYYLH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095929
Cc1nc(CC2CC2)sc1C(=O)Nc1nc2n(c1C#N)CCS2	PC-id_99826378,ZINC22_188779821,MCULE-2744534192,EMOLS-id_50358603	345.442	HNKXLXKLGNKCJT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-095930
CC(C)c1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324846314	345.442	IQXYYFJPNQCPNY-WZUFQYTHSA-N	00000000100000000001000110000000000000000000000000000000	25-01-095931
CCCc1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324848352	345.442	XSZDBPMHXIVUIN-WDZFZDKYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-095932
n12c(=O)c(=Cc3c(C)nc4scc(C)n34)sc1nc(C(C)C)n2	MCULE-7289134079	345.442	IQXYYFJPNQCPNY-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-095933
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCC	MCULE-8895209171	345.442	XSZDBPMHXIVUIN-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-095934
N#Cc1c(NC(=O)c2scnc2C2CCCC2)nc2n1CCS2	EMOLS-id_99554516	345.442	DRKRSCGHVHIZRO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095935
O=C(C1NCc2c1c[nH]n2)Nc1sc(c(n1)c1ccc(s1)C)C	EMOLS-id_319184638	345.442	HKXFYIOYVXWGGC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095936
O=C(NCCc1nnc2n1CCC2)c1cnc(c2ccsc2)s1	MCULE-1141243043,ZINC22_72281037,EMOLS-id_42888116,PC-id_72136800	345.442	JHBWHTGPPJSZEM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095937
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2nnc3n2CCC3)n1	PC-id_95124248,ZINC22_65390697	345.443	YTVMBDBIMWWKTD-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095938
Cc1cc(C)n(C[C@@H](C)CNC(=O)N(C)Cc2nnc3n2CCC3)n1	ZINC22_65390696,PC-id_95124247	345.443	YTVMBDBIMWWKTD-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095939
Cc1nn(c(c1CNC(c1nnc2n1CCC2)C)N1CCOCC1)C	PC-id_51104943,MCULE-9774114912,EMOLS-id_33322339	345.443	DTNNMTGZWOGPCX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095940
Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1nnc2n1CCC2	ZINC22_58392558,PC-id_94822160	345.443	DTNNMTGZWOGPCX-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095941
Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1nnc2n1CCC2	ZINC22_58392559,PC-id_94822161	345.443	DTNNMTGZWOGPCX-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-095942
CCc1nn(c(c1CNC(=O)NC(c1nnc2n1CCC2)C)CC)C	PC-id_75388998,EMOLS-id_48285061,MCULE-4763240754	345.443	IHBQXOUSGKJHEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095943
CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_97242366,ZINC22_95437549	345.443	IHBQXOUSGKJHEI-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-095944
CCc1nn(C)c(CC)c1CNC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_95437550,PC-id_97242367	345.443	IHBQXOUSGKJHEI-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095945
CCC(c1noc(c1)CNC(=NC)NCc1nnc2n1CCC2)CC	PC-id_111510263	345.443	BATBIIVJIYXKKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095946
CCCCn1ncc(c1C(C)C)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319501636	345.443	ALCLEHMDZCRFMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095947
CC(Cn1nc(cc1C)C)CNC(=O)N(Cc1nnc2n1CCC2)C	PC-id_53499563,EMOLS-id_35721640,MCULE-8537003487	345.443	YTVMBDBIMWWKTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095948
CCC(n1ncc(c1CC)NC(=O)N1Cc2c(C1)c(n(n2)C)N)CC	EMOLS-id_319329951	345.443	GSKALPRTJVMODM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095949
CCNC(=NCc1c(CC)onc1CC)NCc1nnc2n1CCC2	PC-id_109590185	345.443	DSWWOLFUVJGNAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095950
CCNC(=NCc1nnc2n1CCC2)NCc1ncc(o1)C(C)(C)C	PC-id_111592397	345.443	BCYIFVXDYKDEHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-095951
CN(Cc1nnc2n1CCC2)C(=O)c1csc(c2ccsc2)n1	PC-id_45819278,MCULE-4549029500,ZINC22_44934926,EMOLS-id_31936750	345.443	ZYNVDWJHLBFCGQ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095952
CN(C)c1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNCc3cc4n(n3)CCC4)C2)n1	EMOLS-id_316134593,MCULE-8738996964,ZINC22_952890061	345.443	NVSUYBUDESTWBA-YWPYICTPSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095953
O=C(c1csc(n1)c1[nH]cnc1)NCCc1sc2c(n1)CCC2	EMOLS-id_319049131	345.443	ICQVWVLGQUDPAU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-095954
O=C(NCCc1nnc2n1CCC2)c1csc(c2cccs2)n1	PC-id_51079732,MCULE-3930968421,ZINC22_42502747,EMOLS-id_33306057	345.443	ULOZQLPSPQQVBD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095955
O=C(NCCc1nnc2n1CCC2)c1csc(c2ccsc2)n1	EMOLS-id_31935486,PC-id_51079734,MCULE-4441390637,ZINC22_42502791	345.443	ZSCQNJHGMAENEW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-095956
C/C=CC1=C(C)c2n(C1CCC1(F)CCC(CC1)CC(=O)N)cnc2	PC-id_142610992	345.454	YNNUSUNRECDYFT-ARJAWSKDSA-N	00000011100010000001000010000000000000000000000000000000	25-01-095957
CC1CC(CCC1=O)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170410	345.456	JTBUAYJTHFEIMO-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-095958
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1C(C)C	MCULE-8043441413,EMOLS-id_33326932,PC-id_7623608,ZINC22_5308160	345.456	BICITTRPXQDUNY-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-095959
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)[C@H]3C(C)C)cc1	PC-id_34179029,ZINC22_26897191	345.456	WMTAJCNYQCEBJV-RHSMWYFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095960
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)[C@@H]3C(C)C)cc1	PC-id_34179030,ZINC22_26897192	345.456	WMTAJCNYQCEBJV-PBHICJAKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095961
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@@H](C)[C@@H]3C(C)C)cc1	PC-id_34179034,ZINC22_26897196	345.456	WMTAJCNYQCEBJV-YOEHRIQHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095962
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@@H](C)[C@H]3C(C)C)cc1	ZINC22_26897194,PC-id_34179032	345.456	WMTAJCNYQCEBJV-WMLDXEAASA-N	00000010100000110000000010000000000000000000000000000000	25-01-095963
CCCc1cc2n(c1C(=O)c1ccsc1)CCC2C(=O)OC(C)C	SCHEMBL11660737,PC-id_20356156	345.456	QROLLMYCWUSZPC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-095964
CCCCCCC1c2c(c(c(n2C)C(=O)c2cccs2)C)OC1=O	PC-id_88184274	345.456	ZEVLMBUHNXEJMG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-095965
CCCCCOC(=O)C1CCn2c1ccc2C(=O)c1scc(c1)C	SCHEMBL11658888,PC-id_20356081	345.456	MXFAFPMSFYITRW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-095966
CC(Oc1ccc(cc1)C(CNC(=O)c1sc2c(c1)CCC2)O)C	PC-id_112297111	345.456	FBQXDPXURWTZBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095967
n1(S(=O)(=O)c2ccc(C)cc2)c(C)cc2C(C(C)C)C(C)C(=O)c12	PC-id_12165073,MCULE-1069388411	345.456	WMTAJCNYQCEBJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095968
O=C1CCC(C(C1)C)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170515	345.456	KAWTYBGRPRZJFH-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-095969
OC(CN(C(=O)c1sc2c(c1)CCC2)C)COCc1ccccc1	PC-id_111595959	345.456	TUKZRFMIBUTHRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095970
s1c2CCCc2cc1C(=O)NC(c1c(cc(OC)c(OC)c1)C)C	PC-id_78885439	345.456	GUQCABJOHRKWMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095971
s1c2CCCc2cc1C(=O)N(Cc1c(cc(OC)c(OC)c1)C)C	PC-id_9277224	345.456	SXJVXRFURYUYAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095972
s1c2CCCc2cc1C(=O)N(Cc1cc(OC)c(OC)cc1)CC	PC-id_51201338	345.456	FTYJMGMQNOCHDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095973
s1c2CCCc2cc1C(=O)N(CCc1cc(OC)c(OC)cc1)C	PC-id_37264327	345.456	XGTKMRZWBHZJCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-095974
c12SCCn1cc(CNC(=O)c1cccc(CCC(C)(C)O)c1)n2	EMOLS-id_43126327,ZINC22_72431008,MCULE-1510987454,PC-id_70744469	345.459	CNFSGACMOZCFTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095975
c1(NC(=O)c2cc(C)cc(C)c2)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-6077908829,EMOLS-id_30135171,PC-id_4232861	345.459	BHBVBIYMEHXELO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095976
c1(NC(=O)Cc2ccc(cc2)OC)c2CSCc2nn1C(C)(C)C	ZINC22_189458,PC-id_4180746,EMOLS-id_5426431,CoCoCo_4972762,MCULE-9800730725	345.459	UVINXAASATWGKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095977
c1(NC(=O)Cc2cccc(C)c2)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_756239,EMOLS-id_5442465,MCULE-4727702356	345.459	VFYYEKLHEDYJTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095978
c1(NC(=O)CCc2ccccc2)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-7320349073,EMOLS-id_5442481,PC-id_2160238	345.459	QKHDXVWXTOQBME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095979
c1(NC(=O)CCCOc2ccc(cc2)CC)n(C)nc2CSCc12	EMOLS-id_334563773,MCULE-1898689075	345.459	YUIKUUFCGXXPLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095980
c1(NC(=O)CCCOc2c(C)cccc2C)n(C)nc2CSCc12	EMOLS-id_334565052,MCULE-7430607248	345.459	CDGSOKGQNDLTHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095981
c1(NC(=O)CCCSc2ccc(cc2)OC)n(C)nc2CCCc12	EMOLS-id_24910430,MCULE-9808905212,CoCoCo_5273030,ZINC22_23135713,PC-id_30859147	345.459	CKPWTHPCMWHVFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095982
c1(NC(=O)C(C)Oc2ccccc2)c2CSCc2nn1C(C)(C)C	PC-id_4231447,EMOLS-id_5438629,MCULE-9683667121	345.459	HVFKEHWMDWVKRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095983
c1(NC(=O)C(C)Oc2ccccc2C(C)C)n(C)nc2CSCc12	MCULE-4258983269,EMOLS-id_334563004	345.459	JMDSKVUZRYBNEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095984
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)n(C)nc2CSCc12	MCULE-9351692954,EMOLS-id_334564796	345.459	LNASCXVPPMQYBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095985
c1(NC(=O)COc2ccc(cc2)C)c2CSCc2nn1C(C)(C)C	ZINC22_4341909,PC-id_7200100,MCULE-8834008016,CoCoCo_5065551,ChEMBL-DNDi_CHEMBLF1878-0015,EMOLS-id_5530891	345.459	DRTODPGJCIHXAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095986
c1(NC(=O)COc2cccc(C)c2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5530889,MCULE-9803072108,CoCoCo_5065550,PC-id_7200099,ZINC22_4341908	345.459	WZXCKWORAWJEAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095987
Cc1ccc(cc1)C1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223365	345.459	MZZQFSAGEDLXER-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-095988
Cc1ccc(c(c1)C1CCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100242955	345.459	DATRIISOMXTTRH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095989
Cc1ccc(cc1)C1CC(N(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100527339	345.459	MPEYRUSQADHZOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095990
Cc1cccc(c1C)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100234606	345.459	GTDPSMDDDKPFFO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095991
Cc1ccc(c(c1)C)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100389187	345.459	DOWGJMBCGAPRKH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-095992
Cc1ccc(cc1OCCN)C(=O)NCCc1nc2CCCc2s1	MCULE-5652870212,ZINC22_426683958,PC-id_118792095,EMOLS-id_82738933	345.459	SSEZUOGETMACPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095993
Cc1ccccc1OCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2	ZINC22_4341907,PC-id_7200098,EMOLS-id_5530887,CoCoCo_5065549,MCULE-3349705065	345.459	WYUNHBFSASXPJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095994
Cc1ccc(c(c1)OCC(=O)N(C)C)NCc1sc2c(n1)CCC2	EMOLS-id_318052986	345.459	QYSNWSQFKBYFFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095995
Cc1cccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)c1	CoCoCo_4984876,ZINC22_8553310,PC-id_40768402	345.459	VFYYEKLHEDYJTM-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-095996
Cc1cc(C)cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)c1	PC-id_11883486,ZINC22_4224524	345.459	BHBVBIYMEHXELO-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095997
Cc1cccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)c1	PC-id_40514477,ZINC22_212243,CoCoCo_4984875	345.459	VFYYEKLHEDYJTM-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-095998
Cc1cc(C)cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)c1	ZINC22_4224525,PC-id_11883485	345.459	BHBVBIYMEHXELO-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-095999
CC1(C)C(CCN1S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_102028703	345.459	VDGZAFYUCAMZOK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096000
CC1(C)C[C@@H](c2ccccc2)N(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC22_333504129	345.459	SLIYEFXZZUYBKR-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096001
CC1(C)C[C@H](c2ccccc2)N(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC22_333504130	345.459	SLIYEFXZZUYBKR-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096002
CC1CC(CN1S(=O)(=O)c1cnc2n1CCC2)c1ccccc1C	EMOLS-id_100174370	345.459	FYBNQKRIYSHJSR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096003
CC1CC(C(N1S(=O)(=O)c1cnc2n1CCC2)C)c1ccccc1	EMOLS-id_100213594	345.459	NGBWDKODBOZQHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096004
CC1(CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_100227328	345.459	GQDZVYPDNLWNJW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096005
CC1(C)CC(N(C1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_102246093,MCULE-2676185453	345.459	SLIYEFXZZUYBKR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096006
CC1CCC(N(C1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_98574235	345.459	HUAHUCGWZBGWBO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096007
CC1(CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_100242979	345.459	VWWDTWMGQJBBEC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096008
Cc1nc(C2(NC(=O)c3cc4c(s3)CCC4)CCCCCC2)no1	ZINC22_41839708,MCULE-4508176678,EMOLS-id_44528980,PC-id_71896475	345.459	KXCHPFZHWWESHN-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-096009
Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cc3CCCc3s2)[C@H]1O	ZINC22_257261416,PC-id_110127830,EMOLS-id_48407305,BDE-33875861,MCULE-3207048448	345.459	LHEUTFLMKGJOPR-CKEIUWERSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096010
Cc1nc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)oc1C	PC-id_121583449,EMOLS-id_73024454,MCULE-4017979921,ZINC22_171652989	345.459	ZYRXCUUQWJHPFJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096011
Cc1noc(C)c1CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_36927609,ZINC22_71820920,MCULE-1543792593,PC-id_56817828	345.459	MGLGAYZCITWQBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096012
CC(c1onc(n1)C1CCCCC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_99807231	345.459	DGZPOWATODJBFV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096013
CC(C)(C)n1nc2c(c1NC(=O)CCc1ccccc1)C[S@@](=O)C2	PC-id_11877628,ZINC22_2724871,CoCoCo_4984898	345.459	QKHDXVWXTOQBME-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-096014
CC(C)(C)n1nc2c(c1NC(=O)CCc1ccccc1)C[S@](=O)C2	ZINC22_4105740,PC-id_11863794,CoCoCo_4984897	345.459	QKHDXVWXTOQBME-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096015
CCC(CN(c1ccccc1)CC(=O)Nc1sc2c(n1)CCC2)O	PC-id_111434318	345.459	RADAXCDIOCTSHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096016
CCC(N(c1ccccc1)CC(=O)Nc1sc2c(n1)CCC2)CO	PC-id_111543394	345.459	CHGZOKSVGQZQSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096017
C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	PC-id_7096420,CoCoCo_4982356,ZINC22_4088674	345.459	HVFKEHWMDWVKRK-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096018
C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	PC-id_7096421,ZINC22_4088676,CoCoCo_4982355	345.459	HVFKEHWMDWVKRK-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096019
CCOc1ccc(cc1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0146,PC-id_4455068,CoCoCo_4972652	345.459	QEEXZHCAOJELEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096020
CCOc1ccccc1C(=O)Nc1c2CSCc2nn1C(C)(C)C	PC-id_3281507,ChEMBL-DNDi_CHEMBLF0529-0128,CoCoCo_4980061	345.459	GRHXVJXTICVRHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096021
CN(C1CCN(C1)C(=O)c1sc2c(c1)CCC2)Cc1ncoc1C	EMOLS-id_318975098	345.459	GGUKCEDYNMDSEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096022
COc1cccc(c1)CC(=O)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030677	345.459	PBIVEHHTVXEPCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096023
COc1ccc(cc1)C(C(=O)Nc1sc2c(n1)CCC2)NC(C)C	EMOLS-id_316708959	345.459	AROLRCRIYPUXMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096024
COc1ccc(CN(C)C(=O)CSCc2cc3n(n2)CCC3)cc1	MCULE-3464866586,ZINC22_593194815,EMOLS-id_324058150,PC-id_145898197	345.459	FWQSUJWOZOLYRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096025
COc1c([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c(C)nn1C	PC-id_95735974,ZINC22_72234299	345.459	SFFOOAKXXGDDKW-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096026
COc1c([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c(C)nn1C	PC-id_95735975,ZINC22_72234300	345.459	SFFOOAKXXGDDKW-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096027
COC1(CCN(CC1)C(=O)c1sc2c(c1)CCC2)c1nccn1C	EMOLS-id_319703466	345.459	MPIAEISCARRZHZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096028
COc1n(C)nc(c1C1CCCN1C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_42878378,PC-id_72143364,MCULE-5281229213	345.459	SFFOOAKXXGDDKW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096029
COCC1=CCN(CC1)C(C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_100374723	345.459	APPVWAXTVUBNSI-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-096030
n1c2CCCc2sc1CCNC(=O)c1ccc(CN2CCCC2)o1	PC-id_118776709,MCULE-3105004588,ZINC22_299776658,EMOLS-id_68903590	345.459	CEBADBOHMGJFKR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096031
n1c2CCCc2sc1CCNC(=O)Cc1ccc(cc1)OCCN	PC-id_119071595,EMOLS-id_82734805,ZINC22_426634064,MCULE-9021565745	345.459	UXTQDAJIZLVNKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096032
N1(CCCC1)C(=O)CCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-2102552730,EMOLS-id_328157323	345.459	DKZASEXQMLKTHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096033
N1(CCCCC1)C(=O)CCCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328174973,MCULE-5385080856	345.459	GIYHAVOGZJWOJG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096034
OCCCC(c1ccccc1)NCC(=O)Nc1sc2c(n1)CCC2	PC-id_109971735	345.459	HBMJPKIWKKVLBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096035
OCCn1nccc1C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_109879412	345.459	OBPDTSCHEGTTQA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096036
OCCN(CC(=O)Nc1sc2c(n1)CCC2)CCc1ccccc1	PC-id_111434355	345.459	FVVKYWGBVKGWAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096037
OCCNC(=O)c1cccc(c1C)NC(c1sc2c(n1)CCC2)C	PC-id_110017329	345.459	CXKJHKACAFGNAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096038
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccn2c1CCC2	ZINC22_1875271278	345.459	LUMOVPKZHSDBIH-INIZCTEOSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096039
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccn2c1CCC2	ZINC22_1875271279	345.459	LUMOVPKZHSDBIH-MRXNPFEDSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096040
O=S(=O)(c1cnc2n1CCC2)N1CCCCCC1c1ccccc1	EMOLS-id_100175852	345.459	SYDMUUBBOCSQSL-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-096041
s1c2CCCc2nc1NC(=O)CN(CCCOc1ccccc1)C	PC-id_60509109	345.459	JNVHXJOSYGHPTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096042
[S@@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1cc(c(cc1)C)C	PC-id_11883760	345.459	VCBNCCGDRZWXAM-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-096043
[S@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1cc(c(cc1)C)C	PC-id_11883761	345.459	VCBNCCGDRZWXAM-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096044
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1cc(c(cc1)C)C	PC-id_5003675	345.459	VCBNCCGDRZWXAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096045
C1CCC(C(C1)NCC(=O)Nc1nc2c(s1)CCC2)n1cccn1	PC-id_136532995,MCULE-1457818641,EMOLS-id_100472519	345.462	BFCIFAZINBWPLD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096046
c1(snnc1C)C(=O)N(C1CCCC1)Cc1c2CCCc2n(C)n1	EMOLS-id_50145340,MCULE-5197997911,PC-id_86266586	345.462	WIMXBBVWFZBNDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096047
CC1(C)CCc2sc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)nc12	ZINC22_333506973	345.462	IMVWOSJJDUZXNG-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096048
CC1(C)CCc2sc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)nc12	ZINC22_333506974	345.462	IMVWOSJJDUZXNG-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096049
Cc1cc([C@@H]2CCCN(CC(=O)Nc3nc4c(s3)CCC4)C2)n[nH]1	PC-id_95781127,ZINC22_72301112	345.462	SPCKUCYESJRHCD-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096050
Cc1cc([C@H]2CCCN(CC(=O)Nc3nc4c(s3)CCC4)C2)n[nH]1	PC-id_95781128,ZINC22_72301113	345.462	SPCKUCYESJRHCD-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096051
Cc1ccc(NC(=O)NCCc2nc3c(s2)CCC3)c(N(C)C)n1	ZINC22_930505322,MCULE-3482192977,EMOLS-id_316317316	345.462	QWEPCJACPUCFSZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096052
Cc1c([C@H]2[C@H](NCc3nc4c(s3)CCC4)CC(=O)N2C)cnn1C	MCULE-4079884882,ZINC22_328617267,EMOLS-id_316014662	345.462	CPEJCRWIHUPWDU-DYVFJYSZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096053
CC1CCN(CC1)Cc1csc(n1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98555808	345.462	FGOAOHYRUCVJFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096054
Cc1cnn(c1)C1CCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010683	345.462	HYFXGYZILSZPKD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096055
Cc1nc(C(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)cs1	EMOLS-id_313733587,ZINC22_1565545460	345.462	GEWSEWICITVSKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096056
Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)c1n[nH]c2c1CCC2	ZINC22_261706093	345.462	JNWPHGSSVHBRLJ-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096057
Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1n[nH]c2c1CCC2	ZINC22_261706099	345.462	JNWPHGSSVHBRLJ-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096058
Cc1scc(n1)CN1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_72144040,EMOLS-id_42877670,MCULE-5374284562	345.462	BKRDUMTZMXEHQE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-096059
CC(C)(C)c1ncc(/C=C/C(=O)NCCc2nnc3n2CCC3)s1	ZINC22_96430637,PC-id_75407902	345.462	HHGFKFNNMNFDTM-VOTSOKGWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096060
CC(C)[C@H](NC(=O)[C@H](C)Sc1ccccn1)c1nnc2n1CCC2	PC-id_97030559,ZINC22_84924403	345.462	OLAQKHZMZJQVCV-WFASDCNBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096061
CC(C)[C@@H](NC(=O)[C@H](C)Sc1ccccn1)c1nnc2n1CCC2	PC-id_97030560,ZINC22_84924404	345.462	OLAQKHZMZJQVCV-SWLSCSKDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096062
CC(C)[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1nnc2n1CCC2	ZINC22_84924401,PC-id_97030557	345.462	OLAQKHZMZJQVCV-DOMZBBRYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096063
CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccccn1)c1nnc2n1CCC2	ZINC22_84924402,PC-id_97030558	345.462	OLAQKHZMZJQVCV-IUODEOHRSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096064
CC(C)(C)Sc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_65621331,PC-id_53552366,MCULE-3662500539,EMOLS-id_35763137	345.462	GBUAPGQOCBBPKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096065
CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2nc3c(s2)CCC3)cn1	MCULE-1868622972,ZINC22_328656624,EMOLS-id_112030571	345.462	ZMPXJZVYMFZFJG-DYVFJYSZSA-N	00000010100011000001100010000000000000000000000000000000	25-01-096066
CC(SCc1cccc(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319553636	345.462	DYHHORGPGLBDBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096067
CN1CCN(CC1)Cc1ccc(s1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_319240167	345.462	UGPYXYPWCRWZDV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096068
CN1CCN(CC1)Cc1ccc(s1)C(=O)NC1CCn2c1ncc2	EMOLS-id_319400483	345.462	PVXYBVJPIVGKJI-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096069
CN1CCN(CC1)C(=O)c1nn(C)c2CN(Cc3cccs3)Cc12	EMOLS-id_44325417,ZINC22_96187559,PC-id_97462017	345.462	SXRYXIPUGXLTTK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096070
CN1CCN(CC1)C(=O)c1nn(C)c2CN(Cc3ccsc3)Cc12	ZINC22_96187560,EMOLS-id_44325419,PC-id_97462018	345.462	VDMIQGVNOYJWLV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096071
CN1CCN(CC1)C(=O)c1n[nH]c2c1CN(C2)Cc1ccc(s1)C	PC-id_97461985	345.462	HUOYFZXCKWDSJM-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096072
Cn1ccnc(N2CCC(NCc3nc4c(s3)CCC4)CC2)c1=O	EMOLS-id_316018466,ZINC22_328622899,MCULE-7840293766	345.462	BPALTXMFPHYSIG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-096073
CN1C(=O)C[C@@H](CNCc2nc3c(s2)CCC3)[C@@H]1c1cnn(C)c1	MCULE-5408103242,ZINC22_328631028,EMOLS-id_316143373	345.462	QMADCOKBBZLOJW-APPDUMDISA-N	00000010100000000001100010000000000000000000000000000000	25-01-096074
Cn1nc(C2CC2)cc1CNC(=O)Nc1nc2c(s1)CCC2(C)C	PC-id_139019914,ZINC22_931775433,MCULE-1986206527,EMOLS-id_317744548	345.462	ZSKWANYTSPNGFQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-096075
Cn1nccc1[C@H]1CCCN(CC(=O)Nc2nc3c(s2)CCC3)C1	PC-id_95760230,ZINC22_72270583	345.462	YRBZRPSJKDEICS-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096076
Cn1nccc1[C@@H]1CCCN(CC(=O)Nc2nc3c(s2)CCC3)C1	ZINC22_72270582,PC-id_95760229	345.462	YRBZRPSJKDEICS-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096077
CNC(=O)c1ccn([C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)n1	ZINC22_328653141	345.462	WTRTYFAKLRCLMU-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096078
CNC(=O)c1ccn([C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)n1	ZINC22_328653143	345.462	WTRTYFAKLRCLMU-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096079
CNC(=O)c1ccn(n1)C1CCCN(C1)Cc1sc2c(n1)CCC2	MCULE-9284164500,EMOLS-id_316052812	345.462	WTRTYFAKLRCLMU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096080
n1c(NCCc2sc3c(CCC3)n2)nccc1N1CCCC(O)C1	MCULE-1553580335,PC-id_135102820,EMOLS-id_317341513	345.462	ZRLGJTIWVPPUQN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-096081
O=c1n(C)ccnc1N1CCCC(C1)NCc1sc2c(n1)CCC2	EMOLS-id_316069067,MCULE-1589799771	345.462	SWZVHBHYBMZDJS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-096082
O=C(c1cnc2n1CCC2)N(Cc1scnc1C)CC1CNCC1	EMOLS-id_318038690	345.462	IFVAHIXMCKLCID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096083
O=C(c1n[nH]c2c1CCC2)N(Cc1scnc1C)CC1CNCC1	PC-id_120434432,MCULE-7376666511	345.462	JNWPHGSSVHBRLJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096084
O=C(C=Cc1cnc(s1)C(C)(C)C)NCCc1nnc2n1CCC2	EMOLS-id_49057632,MCULE-6473281349,PC-id_71995139	345.462	HHGFKFNNMNFDTM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096085
O=C(/C=Cc1cnc(s1)C(C)(C)C)NCCc1nnc2n1CCC2	PC-id_97576386	345.462	HHGFKFNNMNFDTM-SREVYHEPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096086
O=C(CN[C@H]1CCCC[C@H]1n1cccn1)Nc1nc2c(s1)CCC2	ZINC22_127965150	345.462	BFCIFAZINBWPLD-GXTWGEPZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096087
O=C(CN[C@H]1CCCC[C@@H]1n1cccn1)Nc1nc2c(s1)CCC2	ZINC22_127965410	345.462	BFCIFAZINBWPLD-JSGCOSHPSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096088
O=C(CN[C@@H]1CCCC[C@H]1n1cccn1)Nc1nc2c(s1)CCC2	ZINC22_127965620	345.462	BFCIFAZINBWPLD-TZMCWYRMSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096089
O=C(CN[C@@H]1CCCC[C@@H]1n1cccn1)Nc1nc2c(s1)CCC2	ZINC22_127965856	345.462	BFCIFAZINBWPLD-OCCSQVGLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096090
O=C(C(Sc1ccccn1)C)NC(c1nnc2n1CCC2)C(C)C	PC-id_71922762,EMOLS-id_45662967,MCULE-9270375582	345.462	OLAQKHZMZJQVCV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096091
O[C@@H]1CCCN(c2ccnc(NCCc3nc4c(s3)CCC4)n2)C1	ZINC22_1704300783	345.462	ZRLGJTIWVPPUQN-GFCCVEGCSA-N	00000010100010100001100010000000000000000000000000000000	25-01-096092
O[C@H]1CCCN(c2ccnc(NCCc3nc4c(s3)CCC4)n2)C1	ZINC22_1704300788	345.462	ZRLGJTIWVPPUQN-LBPRGKRZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-096093
O=C(N1Cc2c(C1)cnn2C)Cc1csc(n1)NC1(C)CCCC1	EMOLS-id_319458865	345.462	KMEPDYZMZRRNHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096094
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(cc1)SC(C)(C)C	EMOLS-id_319739378	345.462	PXBWTRMVXYQIKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096095
O=C(N1CCC(C1)c1nccn1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005592	345.462	IEKYBPQHRFFYSM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096096
O=C(N1CCCCC1c1c[nH]nc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005703,MCULE-4325153100	345.462	IMVWOSJJDUZXNG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096097
O=C(N1CCCC(C1)c1ncc[nH]1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002067	345.462	HRKCBXDZXYCZKX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096098
O=C(N1CCCCC1c1ncc[nH]1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003726	345.462	BFTOXVIXWPVLFW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096099
O=C(N1CCC(CC1)c1ncc(s1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101421684	345.462	NNZCTNLRKQSHDR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096100
O=C(N1CCCCC1c1n[nH]cc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009009	345.462	FPETUAUNBJQUIY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096101
O=C(N1CCC(CC1)n1cncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001986	345.462	AJJCQGIFNOONJU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096102
O=C(NC1CCn2c1ncc2)Cc1csc(n1)NC1(C)CCCC1	EMOLS-id_319371552	345.462	BQFKNJFFSOPJLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096103
O=C(NC1CC(n2c1ncc2)C)Nc1ncc(s1)C1CCCCC1	EMOLS-id_101486276	345.462	SWOOJGFENZUGGO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096104
O=C(NC1CC(n2c1ncn2)C)Cc1scc(n1)C1CCCCC1	EMOLS-id_319775757	345.462	UPKBUHSKJAZIRL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096105
O=C(Nc1sc2c(n1)CCC2)CN1CCCC(C1)c1ccnn1C	MCULE-3832934339,PC-id_72153981,EMOLS-id_42864454	345.462	YRBZRPSJKDEICS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096106
O=C(Nc1sc2c(n1)CCC2)CN1CCCC(C1)c1n[nH]c(c1)C	PC-id_72121343,EMOLS-id_42909868,MCULE-2625167316	345.462	SPCKUCYESJRHCD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096107
O=C(NCc1nnc2n1CCC2)NCC1(c2cccs2)CCCC1	ZINC22_95393287,MCULE-4694600849,PC-id_75368944,EMOLS-id_48226751	345.462	PXTLSZHPHFUBPY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-096108
CN=C(N1CCN(CC1)c1cccs1)NCc1nnc2n1CCC2	PC-id_109721143	345.466	KLZFNGHCRQNAJQ-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-096109
Cc1ccc(cc1)C(=S)c1c(cc2n1CCC2(C)C(=O)O)SC	PC-id_88672624,SCHEMBL10816101	345.479	NQKVDFGKGNQGIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096110
CC(=C)C1c2sccc2C=C1N(S(=O)(=O)c1ccc(cc1)C)C	PC-id_122382403	345.479	SOKYRZPFUXPTRA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-096111
COC(=O)C1CCn2c1cc(c2C(=S)c1ccc(cc1)C)SC	PC-id_20235096,SCHEMBL10811489	345.479	SAIRLOTVJGGJCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096112
CSCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCC2	ZINC22_503068743,EMOLS-id_320368404,MCULE-9437102470,PC-id_145890418	345.479	ZYZBMLGGIJQUEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096113
s1c2c(CCC2)cc1C(=O)NC[C@@H]([NH+]1CCCCC1)c1occc1	PC-id_2461924	345.479	SWYQPRJQCGNLPM-OAHLLOKOSA-O	00000010101010000000000010000000000000000000000000000000	25-01-096114
s1c2c(CCC2)cc1C(=O)NC[C@H]([NH+]1CCCCC1)c1occc1	PC-id_2461926	345.479	SWYQPRJQCGNLPM-HNNXBMFYSA-O	00000010101010000000000010000000000000000000000000000000	25-01-096115
s1c2c(CCC2)cc1C(=O)NCC([NH+]1CCCCC1)c1occc1	PC-id_78274865	345.479	SWYQPRJQCGNLPM-UHFFFAOYSA-O	00000010101010000000000010000000000000000000000000000000	25-01-096116
c1(C(=O)N2CCN(CC2)C2CCCCC2)cc2n(C[C@@H](N(C)C)C2)n1	EMOLS-id_316328247,MCULE-7331367746	345.482	FQIIXLAWYYISKJ-KRWDZBQOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096117
Cc1ccsc1CN(C)CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_9433941,CoCoCo_3848677,CoCoCo_3848676,MCULE-9791695701,EMOLS-id_3678114,ZINC22_8309944	345.482	HWKDLFGJHYBSIF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096118
CC(C)(C)c1nc(CC(=O)Nc2sc3c(c2C#N)CCC3)cs1	PC-id_53569871,ZINC22_69485899,EMOLS-id_36315374,MCULE-8752152144	345.482	YUHGFSWHTWWTHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096119
CCC(CC)c1nc2s/c(=Cc3ccc(SC)cc3)/c(=O)n2n1	EMOLS-id_324853485	345.482	STKXRYFYFVFOLD-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-096120
C[C@@H](c1cccs1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_4389987,CoCoCo_4389988,PC-id_41078602,ZINC22_9458949	345.482	WFBPKQYCNDITAA-NSHDSACASA-N	00000010100100000000000010000000000000000000000000000000	25-01-096121
C[C@H](c1cccs1)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_9458951,PC-id_41078604,CoCoCo_4389990,CoCoCo_4389989	345.482	WFBPKQYCNDITAA-LLVKDONJSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096122
CC(N1CCC(CC1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_111799466	345.482	SLEXTTCACNTPPF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096123
CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1	CoCoCo_3952780,ZINC22_7613817,CoCoCo_3952781,EMOLS-id_3680967,PC-id_8718267,MCULE-4409561037	345.482	SPMYWNOMTCPUQG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096124
CN1CCN(CC1)C(=O)c1nn(C)c2CN(CC3CCCCC3)Cc12	EMOLS-id_44325435,ZINC22_96187567,PC-id_97462025	345.482	PHRPDHZSRNMQPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096125
CN1CCN(CC1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110005	345.482	BCIGDZWUFCUGLC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096126
CN(C1Cn2c(C1)cc(n2)C(=O)N1CCN(CC1)C1CCCCC1)C	MCULE-3724782211	345.482	FQIIXLAWYYISKJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096127
n12c(=O)c(=Cc3ccc(cc3)SC)sc1nc(C(CC)CC)n2	MCULE-2689070828	345.482	STKXRYFYFVFOLD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-096128
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCC1CCCCC1	MCULE-4994917486	345.482	BMQQVTGMSIQUDV-UHFFFAOYSA-N	00000000100110000001000010000000000000000000000000000000	25-01-096129
N#Cc1c(NC(=O)CN(C(c2cccs2)C)C)sc2c1CCC2	EMOLS-id_11891936,PC-id_17396662,MCULE-8105268022	345.482	WFBPKQYCNDITAA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096130
O=c1n2nc(CCC3CCCCC3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324905482	345.482	BMQQVTGMSIQUDV-UVTDQMKNSA-N	00000000100110000001000010000000000000000000000000000000	25-01-096131
O=C(N1CCN(CC1)CC1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101581020	345.482	UOXOLNNZXGORRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096132
O=C(NC1CC(n2c1ncc2)C)NC1CCN(CC1)C1CCCCC1	EMOLS-id_101417112	345.482	XJDNDWHBLQRBKP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096133
O=C(NC1CC(n2c1ncc2)C)NC1CCN(CC1)CC1CCCC1	EMOLS-id_101387821	345.482	FGBZRJNMZMIRTM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096134
O=C(NC1CC(n2c1ncc2)C)NCC1CCCN1C1CCCCC1	MCULE-7517935834,EMOLS-id_101382373	345.482	XLZCSMAGUFTYFT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096135
O=C(NC1CC(n2c1ncc2)C)NC(C1CCCN(C1)C1CCC1)C	EMOLS-id_101648482	345.482	WWMGBDJDPDAVHZ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-096136
O=C(NCCc1nnc2n1CCC2)NC(C1CCCC1)C1CCCC1	PC-id_71972722,EMOLS-id_49103184,ZINC22_96461463,MCULE-1309717351	345.482	GLJLBRGTAKUMFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096137
s1c2CCCc2cc1C(=O)NNC(=S)Nc1c(ccc(c1)C)C	PC-id_8660005	345.482	SRTXNWMTJIQOHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096138
s1c2CCCc2cc1C(=O)NNC(=S)Nc1c(CC)cccc1	PC-id_8447374	345.482	TZSBAZLGULMEDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096139
s1c2CCCc2cc1C(=O)NNC(=S)Nc1cc(CC)ccc1	PC-id_8447375	345.482	NVAIXQGWUOFPHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096140
s1c2CCCc2cc1C(=O)NNC(=S)Nc1ccc(CC)cc1	PC-id_8660007	345.482	MIOFONATFVOGQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096141
NC(=S)c1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106270689	345.484	ZAWQUKIQADZFPP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-096142
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)C1CCCC1	PC-id_119150632	345.486	MLQGDJCOLKUHOJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096143
N#Cc1c(NC(=O)CCN(C2CCCC2)C(C)C)sc2c1CCC2	EMOLS-id_98774822	345.502	DEDQVUDFKYMXCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096144
s1c2c(CCC2)c(c1NC(=O)CCN(C1CCCCCC1)C)C#N	PC-id_55482990	345.502	NGMSNEMXHJMTQN-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-096145
C1c2c(N(S1)NC(=O)CCCCCNC(=O)CS)scc2	PC-id_87924082,SCHEMBL5999071	345.504	IADSFBAKANCJMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096146
CN1CCN(CC1)C(c1cccs1)CNC1CC(n2c1ncc2)C	EMOLS-id_318009489	345.505	GNNCJSAAZFPABF-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096147
CCCCCCCCC1=NC(=O)c2c1c(oc2C(C)(C)C)C(C)(C)C	PC-id_145552825	345.519	DRRFDBVWJLPTDQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-096148
CCCC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCC	PC-id_92109731	345.522	RPMYATRGGSETTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096149
Clc1c(CNC(c2n3CCCc3nn2)C)c(Cl)ccc1Cl	PC-id_43791508	345.655	BUHRGOIPNHDAPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096150
Brc1cc(C(Cl)c2sc3c(CCC3)c2)ccc1F	PC-id_79742501	345.658	DITZKBFDWHKINR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096151
Clc1ccc(cc1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740044	345.704	MEIBTLRLBFIMGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096152
Clc1cccc(c1)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740258	345.704	GVVKDACQIHRPDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096153
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1Cl	SCHEMBL18740077	345.704	WXXNRPOGWYCDTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096154
O=C(NC1CCn2c1ncc2)Nc1ccc(c(n1)C(F)(F)F)Cl	EMOLS-id_319256450	345.708	LYVRMOFYXAFECD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096155
Clc1ccc(cc1)CC(=O)N1CCc2c1cc(s2)C(F)(F)F	PC-id_142476995	345.767	BTRWYQPNXMSUCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096156
Clc1cnn(c1)Cc1ccc(o1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_320023673,MCULE-9339181069	345.784	RDTUXVXFSZSVPO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096157
O=C(C1NCc2c1c[nH]n2)NC1CCN(C1=O)c1cccc(c1)Cl	EMOLS-id_319155572	345.784	UYSJQLDPJZVCCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096158
OCCn1ncc2c1CN(C2)Cc1onc(n1)c1ccccc1Cl	MCULE-4765580698,EMOLS-id_68919588,PC-id_118784670	345.784	FFALBWOMDWQMBW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096159
O=C(N1CCn2c1ncc2)Nc1ccc(c(c1)C(=O)NC1CC1)Cl	EMOLS-id_319114477	345.784	USUSHGBARXABTA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096160
CCCCc1cc2n(c1C(=O)c1cccc(c1)Cl)CCC2C(=O)O	SCHEMBL11604963,PC-id_20351584	345.82	OGAPPEJYQKQRPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096161
CCCCc1ccc(cc1)C(=O)c1c(Cl)cc2n1CCC2C(=O)O	PC-id_20528144,SCHEMBL11270783	345.82	AVLWRDKLHJMFKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096162
CCCCc1c(C(=O)c2ccccc2)n2c(c1Cl)C(CC2)C(=O)O	SCHEMBL11001625,PC-id_20405008	345.82	MBAROALZIKXUHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096163
CCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)Cl	PC-id_20528129,SCHEMBL11274026	345.82	NDGAXIMNVZCXFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096164
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)Cl)C)C	PC-id_13780960,SCHEMBL11602350	345.82	NVYJDGHWVICZEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096165
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1Cl)C)C	PC-id_20351588,SCHEMBL11602563	345.82	FPFJHTRKPXADKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096166
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1cccc(c1)Cl)C)C	SCHEMBL11605363,PC-id_20351614	345.82	ZLCXIVCXVLBHOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096167
C1CN(CCC1Cc1ccccc1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960048	345.823	RVCHYTPEISGTBW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096168
c1(C(=O)N2CCC(CC2)Oc2ccccc2Cl)c2CCCc2[nH]n1	MCULE-8974873858,PC-id_70744636,EMOLS-id_43126593,ZINC22_72431070	345.823	ZLJPOKKVUVREGM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096169
Clc1ccc(cc1)C1(CCCC1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_99550829	345.823	ZCEVESWAFISQMJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096170
Clc1cccc(c1)C1(CCCC1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_99553658	345.823	DAMOOSQIVOMUFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096171
Clc1cccc(c1)C1CCCC(C1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_316181032,MCULE-6392543224	345.823	GYBRGUXMTAPMQI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096172
Clc1ccccc1C1(O)CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_320393537,MCULE-2180504368,PC-id_139010963	345.823	BGYMSCCYQKDKBL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096173
Clc1ccc(c(c1)NC(=O)c1n[nH]c2c1CCC2)OC1CCCC1	EMOLS-id_100700064	345.823	BGANWRKKHHGELO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096174
Cn1nc2c(c1NC(=O)c1c(Cl)cccc1OCC1CC1)CCC2	ZINC22_902847064,EMOLS-id_316940793,MCULE-3278787695	345.823	LTILAFWPBMSVDG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096175
O=C(C1CC(C1)(O)c1cccc(c1)Cl)NCc1cnc2n1CCC2	EMOLS-id_319437060	345.823	WKDHCNJQAFURLZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-096176
O=C(C1CC(C1)(O)c1cccc(c1)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319269365	345.823	BLGJCKPKRMMFBL-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-096177
O=C(c1cnc2n1CCC2)N1CCC(Oc2ccc(Cl)cc2)CC1	ZINC22_2325782367	345.823	SLRCRZSEOVSGSB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096178
O=C(c1n[nH]c2c1CCC2)N1CCC(Oc2ccc(Cl)cc2)CC1	ZINC22_2325782221	345.823	FXOMATGUEFIIOS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096180
O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1n[nH]c2c1CCC2	EMOLS-id_45756862,ZINC22_89783160,PC-id_71880513,MCULE-3288354482	345.823	RGHZEYKWAZQEMJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096181
O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)c1cc2n(n1)CCO2	ZINC22_582285487	345.823	GYBRGUXMTAPMQI-DZGCQCFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096182
O=C(N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)c1cc2n(n1)CCO2	ZINC22_582285488	345.823	GYBRGUXMTAPMQI-HIFRSBDPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096183
O=C(N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)c1cc2n(n1)CCO2	ZINC22_582285489	345.823	GYBRGUXMTAPMQI-UKRRQHHQSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096184
O=C(N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1)c1cc2n(n1)CCO2	ZINC22_582285490	345.823	GYBRGUXMTAPMQI-ZFWWWQNUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096185
Clc1cc(C2C(NC(=O)NCCc3n4CCCc4nn3)C2)ccc1	PC-id_71922253,EMOLS-id_45663991,MCULE-9382836152	345.827	OGSNFLPJJSNRLE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096186
Clc1cccc(c1)CN1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319154146	345.827	NINWMXYHZXBLAY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096187
Clc1cc(ccc1N1CCCC1)C(=O)NCc1nnc2CCCn12	ZINC22_828152532,MCULE-5664348965,EMOLS-id_232846182	345.827	UDLCVCYBSVBPEZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096188
Clc1ccnc(c1)N1CCN(CC1)C(=O)c1n(C)nc2c1CCC2	EMOLS-id_319118525	345.827	PPXYLXKVUNMKEX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-096189
Clc1cnccc1NC1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_318874543	345.827	VDXBQPBDZFXTRR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-096190
Clc1cnccc1NC1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_318981229	345.827	GAGWXLQTNJDTTP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-096191
Clc1cnccc1NC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318869426	345.827	KUYMWGRQZWGDHE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-096192
O=C(NCc1nnc2n1CCC2)NCC1(c2ccc(Cl)cc2)CC1	ZINC22_67358835,EMOLS-id_45646255,MCULE-1738306139,PC-id_71933806	345.827	BTTOUJORJGYELR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096193
O=C(NCCc1nnc2n1CCC2)NC1(c2ccc(Cl)cc2)CC1	MCULE-9814071583,ZINC22_86397138,EMOLS-id_48254509,PC-id_75378341	345.827	NJHKAKJIZPRLPZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096194
O=C(NCCc1nnc2n1CCC2)N[C@H]1C[C@H]1c1cccc(Cl)c1	ZINC22_86403347,PC-id_97048762	345.827	OGSNFLPJJSNRLE-KBPBESRZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096195
O=C(NCCc1nnc2n1CCC2)N[C@H]1C[C@@H]1c1cccc(Cl)c1	ZINC22_86403349,PC-id_97048763	345.827	OGSNFLPJJSNRLE-KGLIPLIRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096196
O=C(NCCc1nnc2n1CCC2)N[C@@H]1C[C@H]1c1cccc(Cl)c1	ZINC22_86403352,PC-id_97048764	345.827	OGSNFLPJJSNRLE-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096197
O=C(NCCc1nnc2n1CCC2)N[C@@H]1C[C@@H]1c1cccc(Cl)c1	ZINC22_86403354,PC-id_97048765	345.827	OGSNFLPJJSNRLE-ZIAGYGMSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096198
Clc1cc(S(=O)(=O)Nc2sc3CCCc3n2)cnc1NN	PC-id_64607611	345.828	KQBWLTUROQVSRV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096199
Clc1sc2CCC(Nc3cc(S(=O)(=O)C)ccc3F)c2c1	PC-id_81234535	345.84	ZUJSIVSCBGUMND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096200
N#Cc1c(NC(=O)CNCc2ccccc2Cl)sc2c1CCC2	MCULE-1959863751,CoCoCo_3683691,PC-id_4826854,ZINC22_58127826	345.846	ODCCFJSEMGJAPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096201
Clc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cn1	PC-id_61053186	345.848	WVZUSRBRRNRNHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096202
Clc1ccc(cc1)CC1(CCCOC1)NCc1cnc2n1CCC2	EMOLS-id_318139809	345.866	IVYHXJJFHUFGOL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096203
ClCCCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4504207,SPECS-id_AM-879/PD01040	345.868	ROMMHHILJHNOJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096204
Cc1ccc(cc1Cl)N1CCC(CC1)NCc1nnc2CCCn12	EMOLS-id_316248085,ZINC22_1506399289,MCULE-1122783918	345.87	MADDGTKSQWRMMA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096205
Brc1sc(Br)c2c1C(=O)C(F)(F)C2=O	PC-id_59787523,SCHEMBL64470	345.944	MWOPKPMJGDUYIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096206
Brc1sc(c2c1C(=O)CS2(=O)=O)Br	PC-id_121475797,SCHEMBL17915912	346.016	ZRVLZWXJSNIONU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096207
CC1=C(C(=CC=C1)S(=O)(=O)N2CC3=C(C2C(=O)OC)C=NN3)C#N	MCULE-2386289222,PC-id_154783440,EMOLS-id_317748921	346.074	IQTYYEBSGSEIGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096208
C1CC2=C(C1)SC(=N2)NC(=O)N3CCC(C3)(C(C(=O)N)(F)F)O	EMOLS-id_317762009,MCULE-2549597612,PC-id_154789448	346.091	QFIMMEAWJKBEIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096209
CCOC(=O)C1=C2CCCN2C(=C1)C(=O)C(=O)N[C@@H](C)C(F)(F)F	PC-id_154663303	346.114	AZRJOFJOTKESQZ-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096210
CCOC(=O)C1=C2CCCN2C(=C1)C(=O)C(=O)N[C@H](C)C(F)(F)F	PC-id_154663331	346.114	AZRJOFJOTKESQZ-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096211
CCN1C(=C(C(=O)N(C1=S)CC)C=C2C(=NN3C2=NN=C3C)C)O	PC-id_154171474	346.121	DTKBSCWSLVDNMZ-UHFFFAOYSA-N	00000000100000100001000010000000000000000000000000000000	25-01-096212
C1C(c2c(O1)nc(s2)[S-](#P)I)CO	PC-id_90315883	346.126	UBGJNOVBPHNHOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096213
CCCCCCN(B(N1c2ncnn2C(C1CC)(C)C)C)B(NC)C	PC-id_144358244	346.13	AZBNUUHSJWCHLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096214
O=C(c1ccn(CC(F)F)n1)N1CCn2ncc(Br)c12	PC-id_136554596,EMOLS-id_316996106,ZINC22_1616043204,MCULE-7123330002	346.131	STHATEIKHVLJKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096215
CC(=O)N1CC2=C(C1)NN=C2NC(=O)C3=CC=CC=C3C4=CC=CC=C4	PC-id_153873226	346.143	HUKWFZRAGXZFFA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096216
c12n(CCN1C(=O)OC(C)(C)C)nc(Br)c2C(=O)OC	EMOLS-id_317882098,MCULE-9242504427	346.177	SDXUMBRULZNSGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096217
COC(=O)C(NC(=O)c1c(Br)nc2n1CCC2)(CO)C	EMOLS-id_258097389,MCULE-7322325190	346.177	UMCSFAXCZULROG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096218
CC1(C2=C(CN1CC3=CC=CC=C3)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164625676	346.179	UCEJVJFDKNVXDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096219
CC(C1=CC=CC=C1)(C2=NNC3=C2CN(C3)CC4=CC=CC=C4)C(=O)N	PC-id_153863701	346.179	BQDVVFKZVNVTFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096220
N#Cc1cncc(c1)CNC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_318945170	346.182	KWNSGFCCZGPWEI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096221
N#Cc1nccc(c1)CNC(=O)c1nn2c(c1Br)CCC2	EMOLS-id_319042354	346.182	WGDMVPHFHVITIG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096222
C1c2c(CN1C(=O)c1cc(c([nH]1)Cl)Cl)sc(c2)C(=O)NO	SCHEMBL7797509,PC-id_88203886	346.189	SEQRSKDLBJJPDH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-096223
Brc1ccoc1S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318824184	346.2	FLCAVUYATMCOAT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096224
CC1CCC2=C1C(=NN2CC(=O)C)C(=C)N3CCN(CC3)C(=O)CO	PC-id_153575445	346.2	FUGHKZDWSCPPMP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096225
Cn1c(c2CCCc2n1)NS(=O)(=O)c1c(cco1)Br	PC-id_136569912,MCULE-1810725828,EMOLS-id_316951284	346.2	GPTGEJVYCAOXCI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096226
Cc1c(S(=O)(=O)N2CCn3ncc(Br)c23)cnn1C	ZINC22_1616042815,PC-id_136554574,MCULE-2539284471,EMOLS-id_316995336	346.204	DWSCKFQDKVKJOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096227
CCn1cc(S(=O)(=O)N2CCn3ncc(Br)c23)cn1	EMOLS-id_316995080,ZINC22_952994792,MCULE-5266379812	346.204	RCJRQDDYCQFBCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096228
Cn1cc(c(n1)CS(=O)(=O)N1CCn2c1ncc2)Br	EMOLS-id_319519438	346.204	NEMSGCCRUCCHRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096229
CC(C1CCOC1)n1nc2CCC(C)c2c1I	MCULE-4939446459,EMOLS-id_330962877	346.207	YYNMOQCRNMUAGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096230
Brc1ccc(cc1)C1(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98459745	346.222	BUQLBKMTZWMGMJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096231
Brc1cccc(c1)C1(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99565132	346.222	WMWPRKXYSDCHKB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096232
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2C#N)c1	MCULE-4216356832,EMOLS-id_331003569	346.222	VFWXUTDUFUKTAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096233
COc1ccc(Br)c(Cn2nc(C#N)c3C(C)CCc23)c1	EMOLS-id_331018743,MCULE-7675142113	346.222	XOIABHKJIZXASZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096234
COc1ccc(Cn2nc3CCC(C)c3c2C#N)c(Br)c1	EMOLS-id_331003825,MCULE-3581407407	346.222	AZHBFOHTOWRYDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096235
COc1ccc(Cn2nc(C#N)c3C(C)CCc23)c(Br)c1	MCULE-1462278861,EMOLS-id_331018999	346.222	PJUHDDKOFOJLST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096236
O=C(c1nn2c(c1Br)CCC2)Nc1cccc(c1)C1CC1	EMOLS-id_318796709	346.222	ZWJOAJALRZNSNY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096237
Cc1cc(Cl)c(c(c1Cl)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_316741637	346.232	GHWGZPXLNIKIOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096238
Clc1ccc(c(c1)Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318928312	346.232	UDGLLMMQBZZPMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096239
Clc1cccc(c1Cl)S(=O)(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319696359	346.232	JDQKQHPOLWRHEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096240
Clc1cccc(c1S(=O)(=O)NCc1n[nH]c2c1CCC2)Cl	EMOLS-id_318910630	346.232	SKFWPSTXPPUEEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096241
Clc1ccc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)Cl	MCULE-9381026823,EMOLS-id_319921860	346.232	YWAMNAVQNBZBNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096242
OC(=O)C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19609536	346.237	LJEIADRZRHVMSL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096243
OC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19583941	346.237	LJEIADRZRHVMSL-ZETCQYMHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096244
BrCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_112683045	346.24	IMTUZOFOJXTHSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096245
BrC(C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_10521488	346.24	WZBOXIVXTNXWJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096246
BrC(C(=O)Nc1sc2c(CCC2)c1C(=O)OC)CC	PC-id_55126352	346.24	RUYQKWONQOJCJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096247
CC(CCC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	EMOLS-id_319338620	346.24	ZAAHOSPTJGJGSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096248
CC(C)(C)OC(=O)N1C(=O)c2cc(Br)sc2C1(C)C	SCHEMBL17837270,EMOLS-id_317494751,PC-id_121408879	346.24	OCGSFJWGOBEIKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096249
CC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C(C)C	MCULE-9624762093,EMOLS-id_319889465	346.24	HHRRQPJLSYHGSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096250
COC(=O)c1c(sc2c1CCC2)NC(=O)C(Br)(C)C	PC-id_113567978	346.24	XUTGYGMZCBQQIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096251
Brc1ccc(C(C(=O)c2sc3CCCc3c2)C#N)cc1	PC-id_43334111	346.242	KRNOUJGXABFOAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096252
Brc1cc(C(C(=O)c2sc3CCCc3c2)C#N)ccc1	PC-id_43560759	346.242	GXERROJBVOOIPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096253
Brc1c(C(C(=O)c2sc3CCCc3c2)C#N)cccc1	PC-id_62829462	346.242	YGMWEMQMKVUDKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096254
Brc1c2CN(Cc3ccccc3)Cc2nn1CC1CCC1	MCULE-7378874731,EMOLS-id_324338286	346.265	QIAFKQDHXSDSIK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-096255
Brc1cccc(c1)C1(CNC2CC(n3c2ncc3)C)CC1	EMOLS-id_317940732	346.265	SVIGNJZZNLEZIR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096256
Brc1ccc(cc1)C=CCNC(c1nn2c(c1)CCC2)C	EMOLS-id_318026134	346.265	JNAAYRYBHXQFJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096257
Brc1sc2c(C(CC2)CN(C(=O)OC(C)(C)C)C)c1	PC-id_67258945,SCHEMBL2044845	346.283	ULVOVDNVCHSKIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096258
Brc1sc2c(C(C(N(C)C(=O)O)C(C)(C)C)CC2)c1	SCHEMBL2044842,PC-id_67258944	346.283	QQJXGJLJFNNKNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096259
CN(C(=O)OC1CCc2c1cc(s2)Br)CC(C)(C)C	PC-id_141302487	346.283	XAXODDYQBRVORZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096260
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1OC)N(=O)=O)C	MCULE-2963465341,PC-id_135994059	346.298	KMAHHUGDGUUCFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096261
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@H](C)C(F)(F)F)C(=O)OC	PC-id_134303017,SCHEMBL19920737	346.302	KUZCQJUNPDSMJR-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096262
COC(=O)c1c(NC(=O)NC2(CCC2)C(F)(F)F)nc2n1CCC2	EMOLS-id_319503064	346.305	WTKJEZHFAYAAIM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-096263
NC(=O)[C@@]1(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CCOC1	ZINC22_1615547235	346.305	GMBUZUVGMDYWMO-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096264
NC(=O)[C@]1(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CCOC1	ZINC22_1615547236	346.305	GMBUZUVGMDYWMO-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096265
O=C(NC1(COCC1)C(=O)N)Cn1nc(c2c1CCC2)C(F)(F)F	MCULE-6395140852,EMOLS-id_317044254	346.305	GMBUZUVGMDYWMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096266
O=C(N1CC(=O)N(C1)CC(F)(F)F)NC(c1nnc2n1CCC2)C	EMOLS-id_100501660	346.308	QMICCJTVDPXWTI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096267
CCCCCCCCCCCCCCCCCC1=NC2=NCN=C2N1	PC-id_153843590	346.31	JWLNOMBVSXQFSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096268
CC1CC(c2n1ccn2)NS(=O)(=O)c1cncc(c1)C(F)(F)F	EMOLS-id_318857647	346.328	SKNYDCCTLRAUCP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096269
CC1CC(c2n1ccn2)NS(=O)(=O)c1nccc(c1)C(F)(F)F	MCULE-6439114805,EMOLS-id_319876053	346.328	WPVRVMBUGNSAJN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096270
CC(C)(NC(=O)c1cc2n(n1)CCO2)c1nc(C(F)(F)F)cs1	EMOLS-id_316740095,MCULE-4661309717,ZINC22_361860563	346.328	YXFXVMSPKLNLEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096271
COc1nscc1NC(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_319199741	346.328	ZGJHVRFQVZZCKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096272
FC(c1cncc(c1)S(=O)(=O)NCc1cc2n(n1)CCC2)(F)F	EMOLS-id_320328026,MCULE-9585230283	346.328	ZXXFBUKFNFUEAM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096273
O=S(=O)(c1ccc(cn1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319081549	346.328	HSEKMERSPKVQCY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096274
O=S(=O)(c1ccc(nc1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_318836597	346.328	FJRCVUUQGQWHGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-096275
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1cc(F)ccc1F	EMOLS-id_207862866,MCULE-2169900136	346.331	XJPMTXBVHUJPEK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096276
O=CCC1c2cocc2C(OC(=O)c2ccc(OC)c(OC)c2)C1O	CNP0373391	346.331	SFCCTINUDYTREN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096277
O=CC[C@H]1[C@H](O)[C@@H](c2c1coc2)OC(=O)c1ccc(c(c1)OC)OC	UNPD214735	346.331	SFCCTINUDYTREN-ZTFRIQLXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096278
O=C(N1Cc2c(C1)c(n(n2)C)N)NC(C(F)(F)F)c1nccs1	EMOLS-id_319394439	346.331	KBSDPVBXHCSRLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096279
O=C(NC(c1nnc([nH]1)C(F)(F)F)C)Nc1sc2c(n1)CCC2	EMOLS-id_318949379	346.331	KHCHLDDFSVSIFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096280
CC(C1(Cn2cc(nc2O1)[N+](=O)[O-])C)NC(=O)OCc1ccccc1	PC-id_89437218,SCHEMBL14774995	346.338	ARRBXEDRUMKUCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096281
CC(C1(COC(=O)Nc2ccccc2)Oc2n(C1)cc(n2)[N+](=O)[O-])C	PC-id_69480902,SCHEMBL5540712	346.338	GNHAPHGAAQYIEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096282
CCOC(=O)c1ccccc1NCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_23081200,SCHEMBL5537383	346.338	CHGFHLRXSHIFGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096283
Clc1sc(Cl)cc1C(NCCC)c1sc2c(CCC2)c1	PC-id_43497719	346.338	WUCCIPGBMCOTDG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096284
CN(C(=O)OCc1ccccc1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_23081652,SCHEMBL5536630	346.338	QKFBNBCYXFUHNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096285
s1c2c(CCC2)c(c1NC(=O)c1nccnc1C(=O)[O-])C(=O)OC	PC-id_39308197	346.338	ZZQDIDQPEYMRST-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-096286
CN1C[C@H](CC(=O)N2Cc3n[nH]cc3[C@H]2CO)CC[C@H]1C(F)(F)F	ZINC22_1875332358	346.348	PSQHCEZPRJUBLI-BIMULSAOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096287
CN1C[C@H](CC(=O)N2Cc3n[nH]cc3[C@@H]2CO)CC[C@@H]1C(F)(F)F	ZINC22_1875332360	346.348	PSQHCEZPRJUBLI-TVYUQYBPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096288
CN1C[C@H](CC(=O)N2Cc3n[nH]cc3[C@@H]2CO)CC[C@H]1C(F)(F)F	ZINC22_1875332363	346.348	PSQHCEZPRJUBLI-XDTLVQLUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096289
CN1C[C@H](CC(=O)N2Cc3n[nH]cc3[C@H]2CO)CC[C@@H]1C(F)(F)F	ZINC22_1875332366	346.348	PSQHCEZPRJUBLI-ZWKOPEQDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096290
O=C(N1CC(OC(C1)(C)C)C(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101422944	346.348	ZFAWTUOSCTYYBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096291
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nc(n2)C)C)c1ccccn1	PC-id_88983155	346.349	JZBXUPFITYFKFF-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-096292
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nnc2C)C)c1ccccn1	PC-id_88873683	346.349	HJBQDNBMVHXVGX-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-096293
n12N=C(/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncccc3)/c1nnc2C)C	PC-id_58090585	346.349	ABVCHGJEWSWUCK-ZHZULCJRSA-N	00000011100000101001100010000000000000000000000000000000	25-01-096294
n12N=C(C(=NNc3n(nc(c3[N+]#[C-])C)c3ncccc3)c1nnc2C)C	PC-id_76663820	346.349	ABVCHGJEWSWUCK-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-096295
n1(nc(c([N+]#[C-])c1N/N=C/1c2n(N=C1C)nc(n2)C)C)c1ncccc1	PC-id_58113695	346.349	YEGTYIDAQVCQTP-ZHZULCJRSA-N	00000011100000101001100010000000000000000000000000000000	25-01-096296
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1F)CNC2(C)C	PC-id_58015658,SCHEMBL1204639	346.356	XUFXNVFIVQRTOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096297
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)F)CNC2(C)C	PC-id_58015693,SCHEMBL1206401	346.356	PPQFILZAXYGHPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096298
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(cc1)F	PC-id_68649269,EMOLS-id_36029213	346.356	LXCRCKKAHORFTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096299
CN(CCNC(=O)c1oc2c(n1)CN(C2)C(=O)c1cccc(c1)F)C	PC-id_97525799	346.356	IEGLXYWUKHYWAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096300
CN(CC(=O)N1Cc2c(C1)nc(o2)C(=O)NCc1cccc(c1)F)C	PC-id_97407311	346.356	VSYVHOODBQHXSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096301
COc1ccccc1N1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960102	346.356	XQXOLVALZBXTPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096302
COC(=O)c1c(NC(=O)NCc2ccc(c(c2)C)F)nc2n1CCC2	EMOLS-id_319625787	346.356	ZILTUPMKWXJMEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096303
COC(=O)c1c(NC(=O)N(Cc2cccc(c2)F)C)nc2n1CCC2	EMOLS-id_319074903	346.356	HBYVEHCSXBGGHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096304
COC(=O)c1c(NC(=O)NCc2ccc(c(c2)F)C)nc2n1CCC2	EMOLS-id_319127457	346.356	QBXBNWCWQDCTFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096305
COC(=O)c1c(NC(=O)N(Cc2ccccc2F)C)nc2n1CCC2	EMOLS-id_319305342	346.356	AOJBZLRBKDEVJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096306
Fc1ccc(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)OC(C)(C)C)cc1	PC-id_71476649	346.356	WZHKNKZXKHYKHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096307
O=CN(c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)F	PC-id_141257358	346.356	GADKLYNOIUFTMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096308
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccccc1C#N	PC-id_56740132,ZINC22_67513644,MCULE-5829824218,EMOLS-id_36568027	346.358	DBJAHGICAGUWKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096309
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2094889,ZINC22_433089,ChEMBL-DNDi_CHEMBL5691708,MCULE-8546077011,TIMTEC268836,CoCoCo_682795,PC-id_868242	346.358	KPLFNVFRJHGYFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096310
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OC	EMOLS-id_604017,CoCoCo_187553,SPECS-id_AT-225/NB60156,ChEMBL-DNDi_CHEMBL2798-1084,BAS-01292318,SPECS-id_AT-084/J161552,MCULE-6793024729,PC-id_681327,ZINC22_46418,SPECS-id_AN-153/I121275	346.358	VPBGUBAIGUYHMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096311
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)OC	PC-id_896270,CoCoCo_896000,CHEMBL565062,MCULE-6904176571,TIMTEC460177,EMOLS-id_2195590,BindingDB_PC-id_896270,ZINC22_473688	346.358	SVBMRNITRGABIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096312
NC(=O)c1ccc(COC(=O)c2cc3c(s2)CCC3)c([N+](=O)[O-])c1	ZINC22_16803762,CoCoCo_4325876,MCULE-2282389936,EMOLS-id_24957149,PC-id_27348644	346.358	QIHZJWZOUCVCEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096313
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	PC-id_3981778	346.358	QFNMCGCTUFITDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096314
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1	PC-id_4440619	346.358	OHAUMWCUKKVONF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096315
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cccc1	PC-id_4398095	346.358	LUQKWNWOYCRXMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096316
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)N	ZINC22_256055504,PC-id_117588455	346.361	JEYBAGOGKUUELQ-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-096317
CCOC(=O)c1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1	PC-id_2954695,ChEMBL-DNDi_CHEMBL7788014,EMOLS-id_2003041,CHEMBL398233,MCULE-4874858853	346.361	WRZAQHCKPITACT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096318
CCOC(=O)c1ccc(NC(=O)C[C@@H]2Sc3ncnn3C2=O)cc1	CoCoCo_5050968,PC-id_952358,ZINC22_556291	346.361	WRZAQHCKPITACT-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-096319
CCOC(=O)c1ccc(NC(=O)C[C@H]2Sc3ncnn3C2=O)cc1	PC-id_2130741,ZINC22_2671291,CoCoCo_5050969	346.361	WRZAQHCKPITACT-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096320
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)N)c2=O	MCULE-4324073761	346.361	JEYBAGOGKUUELQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-096321
N#Cc1c(NC(=O)c2noc(c2[N+](=O)[O-])C(C)C)sc2c1CCC2	PC-id_16188056,CHEMBL1463312,ChEMBL-DNDi_CHEMBL1463312	346.361	RBPYKAORWIFMTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096322
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nccnc1)C(=O)N	PC-id_7985571	346.361	RZNSHLNQGHRCHY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096323
O=C(N1CCCC1C(=O)NCC(F)(F)F)c1sc2c(c1)CCC2	EMOLS-id_36632677,MCULE-9835268810,PC-id_53536051	346.368	HOLAFCIIOHPWOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096324
O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2	PC-id_93824538,ZINC22_41826897	346.368	HOLAFCIIOHPWOI-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096325
O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_41826899,PC-id_93824539	346.368	HOLAFCIIOHPWOI-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-096326
Fc1ccc(c(c1)CN1CCC1CNC(=O)c1n[nH]c2c1CCC2)F	PC-id_145900164,EMOLS-id_320372382,MCULE-7870803277	346.374	FCXYKAXRSRSQHB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-096327
Fc1ccc(c(c1)F)C1(CCC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318084569	346.374	SVPOXETXXFVSCQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-096328
Fc1ccc(c(c1)F)CN1CCCC(C1=O)NC1CCn2c1ncc2	EMOLS-id_318086142,MCULE-2267710100	346.374	OLFXWMJDNSMBMF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096329
O=C1CC(CN1c1c(F)cccc1F)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318369097,MCULE-4034833014	346.374	GEKFOGYZRIINMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096330
O=C(c1cnc2n1CCC2)N[C@H]1CNCC[C@H]1c1ccc(c(c1)F)F	EMOLS-id_319387867	346.374	BNJMNDDCQWXTPS-WFASDCNBSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096331
O=C(c1cnn2c1CCC2)N[C@H]1CNCC[C@H]1c1ccc(c(c1)F)F	EMOLS-id_319296616	346.374	AUEWFLUQCMFXGS-LRDDRELGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096332
CC(C)S(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960073	346.378	XQQFYFZBXVPZJM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096333
CCCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960074	346.378	DGKRMQYCSOKKMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096334
COCC(=O)Nc1csc2c1C(=O)N(C2=O)CCS(=O)(=O)C	PC-id_142497357	346.379	APCPOGFUVRLVMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096335
O=C(Nc1ccc(O)cc1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_16061861	346.379	XHMJWUCKCBDJSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096336
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H](C[C@H](C(=O)NC2CC2)C1)C(=O)O	MCULE-7276392379,EMOLS-id_43120151,ZINC22_72157613,PC-id_56897447	346.381	KEWZURPCEBMYON-UWVGGRQHSA-N	00100010100010000001000010000000000000000000000000000000	25-01-096337
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1cc(oc1C)C	MCULE-3159170426,EMOLS-id_316324662	346.381	GPUFDQXGJUZLLX-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096338
COC(=O)c1c(NC(=O)NC(c2cc(oc2C)C)C)nc2n1CCC2	EMOLS-id_319074976	346.381	YGUZAXRCRGHNLC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096339
O=C(NC1CC1)C1CC(CN(C1)C(=O)c1n[nH]c2c1CCC2)C(=O)O	PC-id_76426660	346.381	KEWZURPCEBMYON-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-096340
S1C(C(n2c1ncc2)C(P(=O)(OCC)OCC)(C)C)C(=O)C	PC-id_14062768	346.382	APKXAFUXVJYMBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096341
S1C(C(n2c1ncc2)CP(=O)(OCC)OCC)C(=O)C(C)C	PC-id_14062763	346.382	BSHJEDJQKSQWQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096342
S1[C@H]([C@@H](n2c1ncc2)C(P(=O)(OCC)OCC)(C)C)C(=O)C	PC-id_21574668	346.382	APKXAFUXVJYMBO-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096343
S1[C@H]([C@@H](n2c1ncc2)CP(=O)(OCC)OCC)C(=O)C(C)C	PC-id_21574666	346.382	BSHJEDJQKSQWQL-WCQYABFASA-N	00000010100000000001000010000000000000000000000000000000	25-01-096344
c1(C(=O)NN=Cc2cccc(c2)Oc2ccccc2)c2CCCc2[nH]n1	PC-id_5400058,MCULE-9702138872	346.383	XCVPDISBWIFUBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096345
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)c1ccccc1	SCHEMBL2917158,PC-id_68440215	346.383	DJFTXXMSYCFSRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096346
O=C(c1ccccc1)Nc1cccc(c1)NC(=O)c1cnn2c1CCC2	EMOLS-id_319431670	346.383	RRUWJDHECJDFMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096347
O=C(c1[nH]nc2c1CCC2)N/N=C/c1cccc(c1)Oc1ccccc1	SPECS-id_AT-225/NB41645,CoCoCo_1725547,CoCoCo_1725545,PC-id_9615781	346.383	XCVPDISBWIFUBZ-FYJGNVAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096348
O=C(n1nc(NC(=O)c2ccccc2)c2c1CNC2)Cc1ccccc1	PC-id_71477415	346.383	TVPGNKWSHWAWAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096349
O=C(n1nc(NC(=O)c2ccc(cc2)C)c2c1CNC2)c1ccccc1	PC-id_71477110	346.383	ITBPVGOMFPGRSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096350
O=C(n1nc(NC(=O)Cc2ccccc2)c2c1CNC2)c1ccccc1	PC-id_71477260	346.383	GOOWNFSJJGOASG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096351
O=C(N=c1cc2n([nH]1)CCC2)c1ccc(C(=O)Nc2ccccc2)cc1	ZINC22_2325786835	346.383	HXWLZLHSASEXOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096352
O=C(NCc1nnc2n1CCC2)c1ccccc1C(=O)c1ccccc1	EMOLS-id_29595629,CoCoCo_4560566,ZINC22_40037569,PC-id_45864949,MCULE-7671422319	346.383	WQVZPCTYRPMWIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096353
O=C(NCc1nnc2n1CCC2)c1ccc(C(=O)c2ccccc2)cc1	ZINC22_14110401,PC-id_17444840,EMOLS-id_13462616,CoCoCo_4474348,MCULE-9478718002	346.383	GXEGWDXDFQFACO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096354
O=C(N/N=Cc1cccc(Oc2ccccc2)c1)c1n[nH]c2CCCc12	CoCoCo_1725544,EMOLS-id_27008283,CoCoCo_1725546	346.383	XCVPDISBWIFUBZ-BKUYFWCQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096355
c1(cc(nn1C)C)C(=O)NC1Cc2n(nc(C(=O)NCCOC)c2)C1	MCULE-2008822450	346.384	IVMPROULYZYIOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096356
c1(cc(nn1C)C)C(=O)N[C@H]1Cc2n(nc(C(=O)NCCOC)c2)C1	MCULE-4685342621,EMOLS-id_316337456	346.384	IVMPROULYZYIOF-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-096357
c1(C(=O)NC2Cc3n(nc(C(=O)NCCOC)c3)C2)cc(n(C)n1)C	MCULE-8684835831	346.384	RYNQUNMJNVCELB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096358
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccn(CC)n2)n1	MCULE-4784322799	346.384	KPOFWCBYLXTGNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096359
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccn(CC)n2)n1	EMOLS-id_316331327,MCULE-2229303597	346.384	KPOFWCBYLXTGNR-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-096360
c1(C(=O)NCCOC)cnn2CC(Cc12)NC(=O)c1ccn(CC)n1	MCULE-1378259861	346.384	CPQWOIQSJBSYAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096361
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccn(CC)n1	MCULE-9177839989,EMOLS-id_316325683	346.384	CPQWOIQSJBSYAU-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-096362
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1cnn(CC)c1	MCULE-4964126515,EMOLS-id_316325171	346.384	PNDKOVZOEYFBHO-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096363
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NCCOC)c3)C2)cc(n(C)n1)C	EMOLS-id_316337968,MCULE-8127633598	346.384	RYNQUNMJNVCELB-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-096364
CN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCO3)[C@@H]1c1ccnn1C	EMOLS-id_316093253,ZINC22_886080498,MCULE-9180077012	346.384	UOXWXKHZFKZOJW-ZFWWWQNUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096365
OCCOC1=C/C(=Nc2c(=O)n3n(c2NCC)CCC3)/C(=CC1=N)N	SCHEMBL3854758	346.384	SLIYRWCOLPDXKY-POCOTJHZSA-N	00000010100011000001000010000000000000000000000000000000	25-01-096366
NNON(c1ccccc1/C=C/c1csc2c1PNC2)C1CC1	SCHEMBL18633716	346.387	MIFYLXGGCWDPDZ-AATRIKPKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096367
c1(C(=O)NCc2nnc3CCCn23)cn(nn1)CC(=O)N(CC)CC	EMOLS-id_43095051,ZINC22_72143974,PC-id_56891330,MCULE-3170204934	346.388	ZLFKGCZTWXGENE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096368
Cc1c(c(n[nH]1)NN=C1C(=Nn2c1nnc2C)C(=C)C)c1ccccc1	PC-id_89429327	346.389	LKGKJQCTVGIBKN-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-096369
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2F)OCC)n1	MCULE-7322802671,EMOLS-id_330993916	346.396	DEJSVQKDOWOQSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096370
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)OCCF)n1	MCULE-3298757441,EMOLS-id_330997755	346.396	PNMBELSKCBFDQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096371
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(F)c2)OCC)n1	EMOLS-id_330997499,MCULE-9514110441	346.396	MMBLJJOMJVADAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096372
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1F)OCC	MCULE-7793146647,EMOLS-id_330978743	346.396	FEHZBBZHEICREQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096373
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)OCCF	MCULE-1225702275,EMOLS-id_330978487	346.396	KAMLCXNIMIQKLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096374
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)OCC	EMOLS-id_330978231,MCULE-9894540119	346.396	GTMRRIXRZLCUSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096375
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1F)OC	EMOLS-id_330979006,MCULE-2657503272	346.396	LHDDIKMMDGVQHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096376
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1OC)F	EMOLS-id_330980543,MCULE-6465646746	346.396	PPDITXHJNPBFER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096377
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)OC	MCULE-3056746363,EMOLS-id_330979262	346.396	KKGXIZDDZMSPSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096378
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(OC)c1F	MCULE-3543588688,EMOLS-id_330982065	346.396	IVPBLXUPWHDNTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096379
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(OC)c1)F	MCULE-4534641098,EMOLS-id_330981553	346.396	KMAJSQVQKOSKPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096380
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(F)ccc1OC	EMOLS-id_330982322,MCULE-4905470177	346.396	SZSXZJLVMUWVDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096381
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(OC)cc(F)c1	MCULE-9830733967,EMOLS-id_330981809	346.396	SANZFVHZWZLNNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096382
CCOC(=O)c1c2C(C)CCc2nn1C(C)c1c(F)cccc1OC	EMOLS-id_330982578,MCULE-2962013159	346.396	YHCFFQHFMMNSPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096383
FC(C1(O)CCN(CC1)C(=O)NCCc1nc2n(c1)CCS2)F	EMOLS-id_99960429	346.396	NSSKGSSILOUZSR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096384
COc1ccc(C(=O)COC(=O)c2cc3c(s2)CCC3)cc1OC	PC-id_4782839,MCULE-4830459130,CoCoCo_2840747,EMOLS-id_3381551,ZINC22_4581388	346.398	MVTGQYAPODCCLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096385
s1c2CCCc2cc1C(=O)OCC(=O)c1c(OC)ccc(OC)c1	PC-id_7487781	346.398	HPPFMVVBVCKWNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096386
s1c2CCCc2cc1C(=O)OCC(=O)c1c(OC)cc(OC)cc1	PC-id_3919814	346.398	RKCHSYYGMHPBKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096387
Cc1c2n(CCO2)nc1C(=O)NC(CCN(C)C)c1ccc(cc1)F	PC-id_91959907	346.399	BSWICFXRWMRRDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096388
Fc1ccc(cc1)N1CCN(CC1)CCn1c(=O)n2c(c1O)CCC2	PC-id_54375710,BindingDB_PC-id_54375710	346.399	UWIURJNZJLHTCF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096389
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)N1CCOCC1	PC-id_722819,MCULE-2077527143,ZINC22_127241,EMOLS-id_1231097,CoCoCo_6386195	346.401	XUNFBSHXCYJLNE-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-096390
c1(cc(ccc1O)N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328008337,MCULE-6396885222	346.401	XJKWCDJKDLLXNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096391
c1(c(cccn1)OC)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-5045110859,EMOLS-id_327964155	346.401	RXKKSHFDOXMFLC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-096392
c1(ccc(N)cc1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-3573734311,EMOLS-id_327902224	346.401	IRKTUBPNNANUHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096393
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL7752400,MCULE-9206000532,ZINC22_559953,EMOLS-id_1784952,PC-id_954634,CoCoCo_981781	346.401	QRNRUHIULHOBPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096394
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)N	ZINC22_371610,EMOLS-id_4024969,PC-id_841549,MCULE-9806507826,TIMTEC230003,CoCoCo_5832153	346.401	IYNWEIHFIULJLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096395
c1(NC(=O)c2cccc(OC)c2OC)sc2c(CCC2)c1C(=O)N	EMOLS-id_16349187,MCULE-9163631513,PC-id_7532981,ZINC22_5169386,CoCoCo_2590303	346.401	JELFIWMJNGQCJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096396
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)N	PC-id_2225147,CoCoCo_540865,MCULE-6568799620,BindingDB_PC-id_2225147,ZINC22_2872521,TIMTEC271506,EMOLS-id_2319765,CHEMBL210601	346.401	KSKKTEOMELLSQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096397
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2CCCc2c1C(=O)N	PC-id_1548116,MCULE-7717212192,BindingDB-id_134848,CoCoCo_3218616,BindingDB_PC-id_1548116,ZINC22_1509763,CHEMBL1504260,EMOLS-id_42619262,ChEMBL-DNDi_CHEMBL1504260	346.401	AHWDVEFKMDPDJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096398
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)N	PC-id_19204057,MCULE-1042551989,EMOLS-id_181348330	346.401	ZIHYPFBBSKNDMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096399
CC(C)(C)OC(=O)c1cc2c(s1)NC(=O)C2=Cc1c(cc[nH]1)OC	PC-id_86584527	346.401	VZGNSDJLWXXTCT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-096400
CCOC(=O)c1c2CCCc2sc1NC(=O)c1ccc(N)c(O)c1	EMOLS-id_328033484,MCULE-4149524493	346.401	NGLFUIKUGGWCQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096401
CCOC(=O)c1c2CCCc2sc1NC(=O)c1ccc(O)c(N)c1	MCULE-5335122641,EMOLS-id_328021454	346.401	CVBONPPLUCELHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096402
CCOC(=O)c1c(N)sc2c1CN(C2)C(=O)OCc1ccccc1	SCHEMBL8199652,PC-id_59379596	346.401	ZWRAJXRYIDATKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096403
COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_2616973,CHEMBL1433855,EMOLS-id_42614775,MCULE-1995858582,PC-id_2078783,NSC744144	346.401	MCHVPHDEUATDHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096404
COc1cc(cc(c1O)OC)/C=N/NC(=O)c1cc2c(s1)CCC2	PC-id_135749608	346.401	OYBYUCBFRBXLFI-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096405
COc1cc(C(=O)C)ccc1OCC(=O)Nc1nc2c(s1)CCC2	PC-id_24241104,MCULE-5659073066,ZINC22_12818371,EMOLS-id_17189666,CoCoCo_4164187	346.401	XGHLNTAWZGBIBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096406
COc1ccc(OCC(=O)Nc2c(C(=O)N)c3c(CCC3)s2)cc1	ZINC22_3079080,MCULE-2949619659,PC-id_16369990,EMOLS-id_3575175,CoCoCo_3169898	346.401	LDEALQUMEUFILH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096407
COc1ccc(O)c(NC(=O)CNC(=O)c2cc3c(s2)CCC3)c1	MCULE-5951757735,EMOLS-id_324040721,PC-id_146076061,ZINC22_1857529702	346.401	QTGWFXQGZJPPJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096408
COc1cc(OC)cc(c1)C(=O)NNC(=O)c1cc2c(s1)CCC2	EMOLS-id_3378887,PC-id_4783276,MCULE-6978902838,CoCoCo_3306432	346.401	QURIOIRQMZCTOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096409
OCc1ccc(c(c1)O)NC(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318917373	346.401	OTIOTJOLRXWKON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096410
O=C(c1occ2c1CCC2)Nc1cccc(c1)NS(=O)(=O)C1CC1	EMOLS-id_318804068	346.401	FFNVWEULRSKKBZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-096411
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)c1noc(c1)C(=O)O	EMOLS-id_319748635	346.401	OFLPOKCRSOGIBY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096412
O=C(Nc1sc2c(c1C(=O)N1CC[C@@H](O)C1)CCC2)c1ccco1	EMOLS-id_49081757,PC-id_75464749,MCULE-9853010473,ZINC22_95405854	346.401	GFUVKGDTUMJTAI-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-096413
O=C(Nc1sc2c(c1C(=O)N1CC[C@H](O)C1)CCC2)c1ccco1	PC-id_75468535,ZINC22_95964632,EMOLS-id_48792189,MCULE-2208626468	346.401	GFUVKGDTUMJTAI-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-096414
s1c2CCCc2cc1C(=O)NN/C=C
/C=C(OC)C(=O)C(=C1)OC	PC-id_9462591	346.401	HBKBOGFGFRNLHG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-096415
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC)cc1	PC-id_27684476	346.401	ITESDPYKSKRAOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096416
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OC)cc(OC)cc1	PC-id_26872769	346.401	QLDLWDUTNYZWLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096417
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OC)c(OC)ccc1	PC-id_27684450	346.401	ALKVWECPIMLVFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096418
s1c2CCCc2cc1C(=O)NNC(=O)COc1ccc(OC)cc1	PC-id_27684466	346.401	GOWHXEKUDDOFRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096419
s1c2CCCc2cc1C(=O)NNC(=O)COc1c(OC)cccc1	PC-id_27684471	346.401	MJNQHEUYNGQZCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096420
s1c2c(CCC2)c(c1NC(=O)c1c(OC)ccc(OC)c1)C(=O)N	PC-id_16848727	346.401	DQXCLXKHGBDEEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096421
CN=C(NCc1nnc2n1CCC2)NCC(Oc1ccc(cc1)F)C	PC-id_111497259	346.403	PUEYNUUWPLDNSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096422
CN=C(NCc1nnc2n1CCC2)NCC(Oc1ccccc1F)C	PC-id_111501857	346.403	GKDFATMKBRCXTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096423
CN=C(NCc1nnc2n1CCC2)NCC(Oc1cccc(c1)F)C	PC-id_111502887	346.403	AWINPHZQJIKZHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096424
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)F)N(C(C)C)C	EMOLS-id_319059279	346.403	NTCJNGISDKQKBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096425
c1(NC(=O)C2CC2)c2CSCc2nn1CC(=O)NCc1ccco1	MCULE-7664448116,CoCoCo_5277687,ZINC22_23139280,PC-id_30862563,EMOLS-id_24913403	346.404	JKKKFJHYLIJAJD-UHFFFAOYSA-N	00100010101000000001000010000000000000000000000000000000	25-01-096426
O=C(C1CC1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68440942,SCHEMBL2919426	346.404	KRSDZFFKSWAPQR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096447
c1(NC(=O)c2ccc(cc2)N(=O)=O)c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0103,CoCoCo_4972632,EMOLS-id_5426181,MCULE-5824642317,ZINC22_189428,PC-id_3424860	346.404	IUBMYTCMPZMURD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096427
c1(NC(=O)c2ccccc2N(=O)=O)c2CSCc2nn1C(C)(C)C	MCULE-4988286764,PC-id_3647086,EMOLS-id_30101908,ZINC22_189425,ChEMBL-DNDi_CHEMBLF0396-0095,CoCoCo_4972627	346.404	YWMMKQWAQWUWIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096428
c1(NC(=O)c2cccc(c2)N(=O)=O)c2CSCc2nn1C(C)(C)C	PC-id_4197465,EMOLS-id_30101914,CoCoCo_4972631,MCULE-4370290493,ChEMBL-DNDi_CHEMBLF0396-0102,ZINC22_189427	346.404	UMQCTVHBDLVNSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096429
c1(NC(=O)C2CC(=O)N(Cc3ccco3)C2)n(C)nc2CSCc12	MCULE-4788209026,EMOLS-id_188948223,STOCK7S-69711	346.404	WRIFWUDAZVONSS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096430
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)C1CC1)CNC2	SCHEMBL2919424,PC-id_68440940	346.404	QXQYCYBSXMKOOY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096431
C=CCNS(=O)(=O)c1cccc(c1)C(=O)NC1Cn2c(C1)cnc2	EMOLS-id_177275569,MCULE-6550631499	346.404	MTEFNIOLGCVMKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096432
C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cnn(C)c3C2)c1	MCULE-3628311430,EMOLS-id_172344024,PC-id_122153683,ZINC22_408524118	346.404	YBUVXONUZMCIIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096433
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2Cc3cncn3C2)c1	ZINC22_606444252	346.404	MTEFNIOLGCVMKE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096434
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2Cc3cncn3C2)c1	ZINC22_606444253	346.404	MTEFNIOLGCVMKE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096435
Cn1cnn(CC(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)c1=O	EMOLS-id_101170494,ZINC22_333707722,MCULE-7231655976	346.404	LPHYOVDABLSNBB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-096436
Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(Cc3ccco3)C1)CSC2	ZINC22_604419244	346.404	WRIFWUDAZVONSS-JTQLQIEISA-N	00000010101000000001000010000000000000000000000000000000	25-01-096437
Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)CSC2	ZINC22_604419245	346.404	WRIFWUDAZVONSS-SNVBAGLBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096438
O=C1CCCN1c1ccccc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100457062	346.404	KSVOSYXKMWASEZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096439
O=C1CCCN1c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100459499	346.404	YOSDASOTXRWTCS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096440
O=C1CCCN1c1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100459544	346.404	OHNBSHMZDXNABB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096441
O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318035936	346.404	ONWCBXMQDJLSSF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096442
O=C1NCCN(C1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199142	346.404	YOKIDBQDUVXQDG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096443
O=C(C1CC1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68440943,SCHEMBL2919427	346.404	XWZJGHONMVNPRJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096444
O=C(C1CC1)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251712	346.404	QIHCWRQPMQLLPE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096445
O=C(C1CC1)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	PC-id_68440989,SCHEMBL2919571	346.404	DXGMDGKROWQHEF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096446
O=C(c1cccc(c1)NS(=O)(=O)C1CC1)NC1CCn2c1ncc2	EMOLS-id_320199381,MCULE-6696041876	346.404	BVMBJYKDZDKFDE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096448
O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCn2nccc12	EMOLS-id_177199210,MCULE-5157902038,ZINC22_367648303	346.404	HBHKZYDUZZSYNH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096449
O=C(c1cnn2c1CCC2)N1CCC(CC1)c1ncc(s1)C(=O)O	EMOLS-id_318133182	346.404	HXJDYYCWJOJFSU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096450
O=C(c1cnn2c1CCC2)Nc1cccc(c1)NS(=O)(=O)C1CC1	EMOLS-id_319392276	346.404	ZKFMSQYKQIVGSH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096451
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)NC(=O)c1cscc1	EMOLS-id_99556217	346.404	CIGVDAIRECVLQR-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096452
O=C(c1n[nH]c2c1CCC2)Nc1ccc(cc1)N1CCCS1(=O)=O	ZINC22_95475450,EMOLS-id_44758673,PC-id_71704248,MCULE-9153882353,STOCK7S-39391,EMOLS-id_49404841	346.404	JLBPVSAGWYPEKB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096453
O=C(N1Cc2c(C1)cnn2C)c1cccc(c1)NS(=O)(=O)C1CC1	EMOLS-id_319539634	346.404	TYJRBAAOPWLCMB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096454
O=C(N1CCC(C1)c1ncon1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319434047	346.404	HAKLMQJAEQNKBQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096455
O=C(NCc1ccc(cc1)C(=O)O)NCCc1nc2n(c1)CCS2	EMOLS-id_72727573,PC-id_122011374,MCULE-6642233270	346.404	JXIVNTXRZHQGJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096456
O=C(O)c1cn(C[C@H]2CCCN2C(=O)C2Cc3cscc3C2)nn1	ZINC22_2325784431	346.404	DRDPHJRPVVMJCG-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096457
O=C(O)c1cn(C[C@@H]2CCCN2C(=O)C2Cc3cscc3C2)nn1	ZINC22_2325784432	346.404	DRDPHJRPVVMJCG-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096458
s1c2CN(Cc3ccccc3)C(=O)c2nc1NC(=O)NCCOC	PC-id_53188476	346.404	LGXDJRJQUANTHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096459
S1Cc2c(nn(c2NC(=O)C=CC)CC(=O)NCc2occc2)C1	PC-id_44053260	346.404	CLHICCUPSSPCLN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096460
Cc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1cccnc1)/c2=O	STOCK4S-57234,EMOLS-id_206990793,ZINC22_5215526	346.406	PJPNFQVMQKGUIF-UVBRKHIMSA-N	00000000100000111001000010000000000000000000000000000000	25-01-096461
n12nc(nc1sc(=Cc1cccnc1)c2=O)C=Cc1ccc(cc1)C	MCULE-4573492785	346.406	PJPNFQVMQKGUIF-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-096462
s1c2CCCc2nc1NS(=O)(=O)c1sc(N)c([N+](=O)[O-])c1	PC-id_80731451	346.406	XJCDFVAMOOLOHS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-096463
c12SCCn1cc(CNC(=O)c1cnc(nc1)N1CCOCC1)n2	EMOLS-id_49664792,ZINC22_97642588,PC-id_74242790,MCULE-5755182718	346.407	ODYRKTOGBFTPBQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-096464
c1(NC(=O)c2cnccn2)c2CSCc2nn1CC(=O)NCCC	PC-id_30862158,EMOLS-id_24913181,MCULE-2579781997,ZINC22_23138820,CoCoCo_5277521	346.407	FQOHMHRXSGWNTG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096465
c1(nncn1C)Sc1ccc(CN2Cc3c(cnn3CCO)C2)o1	ZINC22_215494086,EMOLS-id_49878224,MCULE-4126356015,PC-id_77085297	346.407	XIOPJHBOIODETF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096466
c1(CN2CCN(C(C)C2)Cc2ccc(cc2F)F)c2CCCc2[nH]n1	MCULE-9998927635,EMOLS-id_337671678	346.417	XCYDNWKGDXTMLF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096467
c1(CN2CCN(C(C)C2)Cc2cc(F)cc(F)c2)c2CCCc2[nH]n1	MCULE-4917150872,EMOLS-id_337757627	346.417	ZVLHKVRZKXLPTQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096468
C[C@@H]1CN(Cc2n[nH]c3c2CCC3)CCN1Cc1cc(F)cc(F)c1	ZINC22_2298049968	346.417	ZVLHKVRZKXLPTQ-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096469
C[C@H]1CN(Cc2n[nH]c3c2CCC3)CCN1Cc1cc(F)cc(F)c1	ZINC22_2298049969	346.417	ZVLHKVRZKXLPTQ-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096470
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)NC(C)C	CoCoCo_1740155,TIMTEC209049,ZINC22_68377,PC-id_694830,MCULE-8822880573,EMOLS-id_2569138	346.419	IBDXKOAYCRVEJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096471
CC(C)CNC(=O)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1	EMOLS-id_44303596,PC-id_97442338,ZINC22_96146811	346.419	WTZMWRVEAFNZCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096472
COc1ccc(cc1CN(C(=O)c1c(N=C)sc2c1CCC2)C)F	SCHEMBL18595726	346.419	KBZQWFYRJNJAHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096473
Fc1ccc(cc1)C(=O)CCC(=O)NCCc1nc2CCCc2s1	ZINC22_223046642,PC-id_91789207,MCULE-3240638074,EMOLS-id_55686441	346.419	FAAMFJJKKGLDSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096474
O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cc2c(s1)CCC2	ZINC22_194811166,EMOLS-id_189636553,MCULE-9086931416	346.419	GEVTWFQTTYABDW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096475
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(O)c1	MCULE-4399623390,EMOLS-id_328218486	346.422	SUFRNRCKZQZHBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096476
Cc1ccc(O)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328218748,MCULE-1182360176	346.422	HAFQPHOSADYLKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096477
Cc1cc(O)ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2064723484,EMOLS-id_328218994	346.422	VAVOVSKVOHPNHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096478
CN(C(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(O)cc1	MCULE-3558843282,EMOLS-id_328336285	346.422	WDEHJKRXMPDXPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096479
COc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328218225,MCULE-7927312308	346.422	VOLWLYNCLQRBNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096480
COc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328217468,MCULE-1459330329	346.422	KKISYXWMYKMUGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096481
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328217205,MCULE-1829615321	346.422	PSVSTEGVOKUQBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096482
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccc(O)cc1	EMOLS-id_328213112,MCULE-8931512895	346.422	QYNOBKORHUBIHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096483
c1(C(=O)N2CCCN(CC2)C(=O)C2(CCCO2)C)c2CCCc2[nH]n1	EMOLS-id_316264453,PC-id_134713024,MCULE-3525774614	346.424	BAWAGDWPLFXNAP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-096484
c1(NC(=O)c2ccccc2S(=O)(=O)C)sc2c(CCC2)c1C#N	CoCoCo_5142220,EMOLS-id_5570532,PC-id_7565501,ZINC22_5222947,MCULE-6701142612	346.424	OSMUTBFHCJVEGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096485
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C)sc2c(CCC2)c1C#N	ZINC22_4518023,MCULE-4218677197,PC-id_7267188,CoCoCo_5142620,EMOLS-id_5571124	346.424	FNZNATLRBIWRIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096486
c1(NC(=S)NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)O	MCULE-2278172358,SPECS-id_AJ-292/40606655,TIMTEC541996,ChEMBL-DNDi_CHEMBL6139427,CK1342472,STOCK1S-75808,EMOLS-id_936574,CoCoCo_6912715,ZINC22_209991,PC-id_755417	346.424	XCKSMPCWJDMWSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096487
CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99553235	346.424	OANGLOUCYUSZCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096488
C[C@]1(C(=O)N2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CCCO1	ZINC22_1529189887	346.424	BAWAGDWPLFXNAP-GOSISDBHSA-N	00000010100000000101000010000000000000000000000000000000	25-01-096489
C[C@@]1(C(=O)N2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CCCO1	ZINC22_1529189890	346.424	BAWAGDWPLFXNAP-SFHVURJKSA-N	00000010100000000101000010000000000000000000000000000000	25-01-096490
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(s2)CCC3)n1	PC-id_8948145,ZINC22_7828785	346.424	YETGIAJIHAEZOR-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-096491
Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3c(s2)CCC3)n1	PC-id_8948147,ZINC22_7828789	346.424	YETGIAJIHAEZOR-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096492
C[C@]1(NC(=O)C[C@H]2CCCO2)CCN(C(=O)c2cnc3n2CCC3)C1	ZINC22_1536757128	346.424	CFFFNJDWCLPRAP-ACJLOTCBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096493
C[C@@]1(NC(=O)C[C@H]2CCCO2)CCN(C(=O)c2cnc3n2CCC3)C1	ZINC22_1536757130	346.424	CFFFNJDWCLPRAP-FZKQIMNGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096494
C[C@@]1(NC(=O)C[C@@H]2CCCO2)CCN(C(=O)c2cnc3n2CCC3)C1	ZINC22_1536757132	346.424	CFFFNJDWCLPRAP-SCLBCKFNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096495
C[C@]1(NC(=O)C[C@@H]2CCCO2)CCN(C(=O)c2cnc3n2CCC3)C1	ZINC22_1536757134	346.424	CFFFNJDWCLPRAP-UGSOOPFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096496
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)[C@H]1CCOC1)C2	ZINC22_1565551437	346.424	FILFRNURPWOQOL-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096497
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)[C@@H]1CCOC1)C2	ZINC22_1614933117	346.424	FILFRNURPWOQOL-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096498
CC(C)n1nc(CN2CCCC2=O)c2CN(Cc12)C(=O)C1CCOC1	EMOLS-id_313734102	346.424	FILFRNURPWOQOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096499
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1sccc1C#N	PC-id_8359382,ZINC22_7258068,CoCoCo_4174573	346.424	FSOJEALIWHNQHI-VIFPVBQESA-N	00000010100100000000000010000000000000000000000000000000	25-01-096500
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1sccc1C#N	ZINC22_7258071,PC-id_8359385,CoCoCo_4174572	346.424	FSOJEALIWHNQHI-SECBINFHSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096501
COC(=O)c1c(NC(=O)N2CC(C2)C2CCCCC2)nc2n1CCC2	EMOLS-id_319532703	346.424	PAWNMKVQWPUXRY-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-096502
COC(=O)c1c(NC(=O)N2CCC(C2)C2CCCC2)nc2n1CCC2	EMOLS-id_319062810	346.424	OYZCVRJPJQFTPO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096503
COC(=O)c1c(NC(=O)N2CCCC2C2CCCC2)nc2n1CCC2	EMOLS-id_319071118	346.424	KOTIOTUPCNLUDJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096504
COC(=O)c1c(NC(=O)NC2(CC2)C2CCCCC2)nc2n1CCC2	EMOLS-id_319345820	346.424	RDUVMLIYQZUQLU-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-096505
COC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	MCULE-4193432534,ZINC22_1775987237,EMOLS-id_317026083	346.424	RJJICFQIUKYVMT-HNNXBMFYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096506
CS(=O)(=O)c1cccc(c1)C(=O)Nc1sc2CCCc2c1C#N	ZINC22_4517883,CoCoCo_5142426,PC-id_7267099,EMOLS-id_5570826,MCULE-6348988038	346.424	VESKKNSMPWYTPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096507
N#Cc1ccsc1NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	PC-id_45853539,EMOLS-id_25023575,MCULE-8048088252	346.424	FSOJEALIWHNQHI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096508
N#CC(c1scc(n1)C)C(=O)COC(=O)c1sc2c(c1)CCC2	PC-id_75401949,EMOLS-id_48207269,MCULE-4259792927	346.424	YETGIAJIHAEZOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096509
NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(C(=O)c2cn3c(n2)CCC3)CC1	MCULE-1794204619,EMOLS-id_316116906,ZINC22_952886098	346.424	GVPSLINONUPWNH-UKRRQHHQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096510
O=C(N1CC(C1)N(C(=O)c1cn2c(n1)CCC2)C1CC1)OC(C)(C)C	MCULE-6661560398,EMOLS-id_258120153	346.424	IIFRTTYZGOPBKA-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-096511
O=C(N1CC(C1)N(C(=O)c1cnc2n1CCC2)C1CC1)OC(C)(C)C	EMOLS-id_278951471	346.424	PPQHPNLNPALHKM-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-096512
O=C(N1CC(C1)N(C(=O)c1cnn2c1CCC2)C1CC1)OC(C)(C)C	EMOLS-id_278951508	346.424	QJCPDXOEOCHLNB-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-096513
O=C(N1CC(C1)N(C(=O)c1n[nH]c2c1CCC2)C1CC1)OC(C)(C)C	EMOLS-id_316553862	346.424	LBAIRKIQAXXQHD-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-096514
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CN1CCOC1=O	PC-id_92109957	346.424	RYLBFIZQWBUPJD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096515
O=C(NC1(C)CCN(C1)C(=O)c1cnc2n1CCC2)CC1CCCO1	EMOLS-id_324031036,MCULE-3068298184,PC-id_146095827	346.424	CFFFNJDWCLPRAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096516
s1c2CCCc2cc1C(=O)OC(c1oc(nn1)c1sccc1)C	PC-id_18776605	346.424	XDYAABVCSCHYBI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-096517
s1c2CCCc2cc1C(=O)O[C@H](c1oc(nn1)c1sccc1)C	PC-id_7704473	346.424	XDYAABVCSCHYBI-VIFPVBQESA-N	00000010100100000001100010000000000000000000000000000000	25-01-096518
s1c2CCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1sccc1)C	PC-id_7704477	346.424	XDYAABVCSCHYBI-SECBINFHSA-N	00000010100100000001100010000000000000000000000000000000	25-01-096519
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1cccnc1)C(=O)OC	PC-id_51861623	346.424	ILRXZRAPMIUHBB-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-096520
s1c2CCCc2c(c1NC(=O)COC(=O)c1sccc1C)C#N	PC-id_7835087	346.424	HKSHMYUKCXYZBT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096521
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc(cc1)C)C#N	PC-id_7837860	346.424	KOEQVJBQQAYFGX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096522
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1ccsc1)C#N	PC-id_7968649	346.424	UASZWDJYBMFFBS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096523
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1sccc1)C#N	PC-id_7798915	346.424	JDPHLZOMHQJNHY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096524
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)Cc1ccccc1	PC-id_90704418	346.426	SJXCSTDIHPLTIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096525
Cc1ccc(cc1)CC(c1ccccn1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_320382230,PC-id_139001513,MCULE-1159850939	346.426	BFECHCRAHJXGLH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096526
Cc1cccc(c1)CC(=O)Nc1n[nH]c2c1CN(C2)Cc1ccccc1	SCHEMBL2913471,PC-id_68438761	346.426	ZPLZWSPKLKFOOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096527
Cc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68440209,SCHEMBL2917142	346.426	CXKOPPKIZFRWNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096528
Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2922902,PC-id_68442196	346.426	WZDNDEWFCGSVLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096529
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2924915,PC-id_68443006	346.426	QBFQVWWZORAIJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096530
Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68441788,SCHEMBL2921966	346.426	WUWPOUHBCDCKQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096531
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2922906,PC-id_68442198	346.426	LIVYSHVYSQTFSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096532
Cc1ccc(C[C@H](NC(=O)c2n[nH]c3c2CCC3)c2ccccn2)cc1	ZINC22_115480692	346.426	BFECHCRAHJXGLH-IBGZPJMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-096533
Cc1ccc(C[C@@H](NC(=O)c2n[nH]c3c2CCC3)c2ccccn2)cc1	ZINC22_115480695	346.426	BFECHCRAHJXGLH-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096534
Cc1cc(C)nc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	EMOLS-id_328224378,MCULE-2364919650	346.426	ILYRAGLPIVIJDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096535
CC(C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_68439113,SCHEMBL2914201	346.426	VBVSSWNDIOJONL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096536
CCC(=O)N(c1n[nH]c2c1CN(C2)Cc1ccccc1)c1ccccc1	PC-id_68442179,SCHEMBL2922865	346.426	JCMYHIWTPWBPAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096537
C[C@@H](c1ccccc1)N(C(=O)c1c2c(nn1C)CCC2)c1ccccn1	ZINC22_906112352	346.426	OYOVWLLCOLFKNY-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096538
C[C@H](c1ccccc1)N(C(=O)c1c2c(nn1C)CCC2)c1ccccn1	ZINC22_906112354	346.426	OYOVWLLCOLFKNY-OAHLLOKOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096539
CC(N(C(=O)c1n(C)nc2c1CCC2)c1ccccn1)c1ccccc1	EMOLS-id_316983286,MCULE-3057446767	346.426	OYOVWLLCOLFKNY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096540
CN(Cc1ccccc1)Cc1cccc(C(=O)N2Cc3c[nH]nc3C2)c1	ZINC22_1636182485	346.426	GQHGCGVZGKECLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096541
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CCC#N)CCC#N	MCULE-3024309971,EMOLS-id_328336027	346.426	QDVJIGRAFLQKND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096542
N#Cc1c2CCCn2c(c1N=C1CCCCC1)C(=O)Nc1ccccc1	PC-id_393865,NSC696792,CoCoCo_5763441	346.426	ASKJGVIVSFYXLE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-096543
O=C(c1ccccc1C)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2917144,PC-id_68440210	346.426	CKLPUMFTZRFGHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096544
O=C(c1n[nH]c2c1CCC2)N(CCc1ccccc1)Cc1ccncc1	MCULE-4367052488,ZINC22_79335659,EMOLS-id_48994641,PC-id_72025523	346.426	MLOLQJQKQJMGSF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096545
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)Cc1ccccc1	PC-id_68442194,SCHEMBL2922898	346.426	GGDDLTIPNVMWDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096546
O=C(Nc1n[nH]c2c1CN(C2)Cc1ccccc1)Cc1ccccc1C	PC-id_68442084,SCHEMBL2922671	346.426	KCWROLKZFLGYGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096547
O=C(Nc1n[nH]c2c1CN(C2)Cc1ccccc1)Cc1ccc(cc1)C	SCHEMBL2921440,PC-id_68441585	346.426	UDAOZNCKLXVCST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096548
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)Cc1ccccc1	PC-id_68442195,SCHEMBL2922901	346.426	QZYGWODRHWJHOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096549
c1(csc(c2cccs2)n1)C(=O)N1Cc2c(n(nc2)CCO)C1	PC-id_70706877,ZINC22_82086906,EMOLS-id_44424203,MCULE-6989689964	346.427	GFYXZGNHRLPYOF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-096550
c1(NC(=O)c2cc(=O)[nH]c(CSC)n2)sc2c(CCC2)c1C#N	EMOLS-id_182609102,MCULE-7619790571,PC-id_136834698	346.427	LFBBTHMIZMBUPI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096551
c1(NC(=O)CSc2nc(C)cc(=O)[nH]2)sc2c(CCC2)c1C#N	PC-id_135713605,ZINC22_11905447,MCULE-7728283822,EMOLS-id_13131267	346.427	KJCBTEYULGYUNC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096552
CC(C)c1cc(CNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)on1	PC-id_96548985,ZINC22_79349590	346.427	LIBHCCMTDQMGTL-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096553
CC(C)c1cc(CNC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)on1	ZINC22_79349585,PC-id_96548984	346.427	LIBHCCMTDQMGTL-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096554
C[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1nnc2n1CCC2	PC-id_94024453,ZINC22_44934619	346.427	JPLOIDRLLSPLLX-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-096555
C[C@@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1nnc2n1CCC2	ZINC22_44934622,PC-id_94024454	346.427	JPLOIDRLLSPLLX-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096556
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(o1)C)(O)C	PC-id_111664555	346.427	GSUVYZGSVGPDOM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096557
CCNC(=NCc1nnc2n1CCC2)NCCCOCc1ccco1	PC-id_111020523	346.427	RNYMZVOCMGLGPL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-096558
CN1CCN(CC1)C(=O)N1CCN(CC1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_278287834	346.427	ZFXZHMIIOGYMEA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096559
CN1CCN(CC1)C(=O)N1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_316495551	346.427	ITDUBRMMACJFRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096560
CN1CCN(CC1)C(=O)N1CCN(CC1)C(=O)c1cnn2c1CCC2	EMOLS-id_278287890	346.427	KNZUBLOYTGCHPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096561
CN1CCN(CC1)C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_257995618,MCULE-3254385435	346.427	XMXQRZSZFUANNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096562
N#Cc1c(NC(=O)CSc2nnc(C3CC3)o2)sc2c1CCC2	PC-id_8385905,EMOLS-id_18824592,ZINC22_7288670,SCHEMBL19635943,MCULE-2376877809,CoCoCo_4058084	346.427	CVJWGQGJRAHILD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-096563
o1nc(nc1CCCC(=O)NC(c1n2CCCc2nn1)C)C(C)(C)C	EMOLS-id_31936192,MCULE-4702824319,PC-id_45819135	346.427	JPLOIDRLLSPLLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096564
O=C(C1CCCN(C1)C(=O)N1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_98120145	346.427	BOHNEOTVTVBTIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096565
O=C(NC1CC(=O)N(C1)C1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_98688430	346.427	KOPQOACKJTXZHM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096566
O=C(NC(c1n2CCCc2nn1)C(C)C)NCc1onc(C(C)C)c1	PC-id_72013688,MCULE-8064897219,EMOLS-id_49020191	346.427	LIBHCCMTDQMGTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096567
s1c2CCCc2cc1C(=O)NNC(=O)Cc1nc2sccn2c1	PC-id_27684522	346.427	PTTPSKBOYHPMAZ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-096568
s1c2CCCc2nc1NC(=O)CCc1onc(n1)c1ccsc1	PC-id_26723452	346.427	IVXNMIDNPCDUPR-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-096569
s1c2CCCc2nc1NC(=O)CCc1onc(n1)c1sccc1	PC-id_33040568	346.427	MMMOLNJMABAYNR-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-096570
N#Cc1c(NC(=O)CSc2nnnn2C2CC2)sc2c1CCC2	CoCoCo_4239086,PC-id_9363028,ZINC22_8232444,EMOLS-id_11717427,MCULE-6764923258	346.431	IQWXGQJQRFYKFK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-096571
O=C(C1NCc2c1c[nH]n2)Nc1scc(n1)c1sc(nc1C)C	MCULE-7276256504,EMOLS-id_320044548	346.431	STNGPTNIPBXYFD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096572
s1c2CCCc2c(c1NC(=O)CSc1nc(N)cc(n1)N)C#N	PC-id_4148483	346.431	GKAKOEOIKVOQMG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096573
s1c2CCCc2c(c1NC(=O)CCSc1ccc(F)cc1)C#N	PC-id_78778683	346.442	MYXCMJRRCMYZEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096574
C1(CCCCC1)(C(=O)OCC)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328165990,MCULE-3994019005	346.444	XRRUIEYTSKJUGH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096575
c1(C(=O)NCCc2ccc(c(OC)c2)OC)c2CCCc2sc1N	CoCoCo_6813281,PC-id_17380378,ZINC22_17072126,TIMTEC293856,EMOLS-id_4025187,MCULE-3230998432	346.444	LRLROUYXXGNZDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096576
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)n1	MCULE-1371038150,EMOLS-id_334662873	346.444	WHAPUOPWYYLQHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096577
c1(NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337710,MCULE-9528704089	346.444	QOMZPMUPNVQULX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-096578
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334342051,MCULE-1510905928	346.444	HCLAAKKHWLOPSV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-096579
c1(NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2868864393,EMOLS-id_334338980	346.444	JXXKTGZENNGXGI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-096580
Cc1ccccc1OC[C@@H](O)C(=O)NCCc1nc2c(s1)CCC2	PC-id_100035124,ZINC22_219201196	346.444	GXDAGAKNHSGXBH-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096581
Cc1ccccc1OC[C@H](O)C(=O)NCCc1nc2c(s1)CCC2	PC-id_100035126,ZINC22_219201272	346.444	GXDAGAKNHSGXBH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096582
Cc1ccccc1OCC(O)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_55627000,PC-id_91768580,MCULE-9056353530	346.444	GXDAGAKNHSGXBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096583
CCC1(CCn2c1cc(c2C(=O)c1ccc(n1C)SC)C)C(=O)O	PC-id_70411549,SCHEMBL10645708	346.444	AYPMFKOATYJHSJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-096584
CCCOc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1OCC	PC-id_26723229,MCULE-4674378201,EMOLS-id_17199838,ZINC22_15636714,CoCoCo_4164202	346.444	NVBAAGYGKMSJDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096585
CCCSc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)O	SCHEMBL10644124,PC-id_70411068	346.444	IBYIDAIJPTYRCA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-096586
CCN1CC(CC1=O)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170326	346.444	UMVCINXFQHIARA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-096587
CCN(C(=O)c1sc2c(c1)CCC2)Cc1c(CO)cnc(c1O)C	EMOLS-id_319312319	346.444	XBCKPWIZFDZBEE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-096588
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)SC)C	PC-id_13424021,SCHEMBL10640251	346.444	KQGGRKCQRFOCOB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-096589
CCOC(=O)C1Cn2c(C1)cc(c2C(=O)c1ccc(n1C)SC)C	PC-id_54273876,SCHEMBL11028468	346.444	RMAULMFMKTYDNS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-096590
CN1CCC(CC1=O)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170332	346.444	QERNABHYKAWFGN-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-096591
CN(C(=O)COC(=O)c1cc2c(s1)CCC2)C1(C#N)CCCCC1	EMOLS-id_3611353,ZINC22_4581603,CoCoCo_2840992,PC-id_7291985,MCULE-7452960422	346.444	XFLADXCZWPRHMG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096592
COC(=O)CCc1ncc2n1CCC2SCc1ccc(cc1)OC	PC-id_139819164	346.444	QPNZBQZQQXJNIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096593
N#Cc1c(NC(=O)CC2(CC(=O)O)CCCCC2)sc2c1CCC2	MCULE-5752183625,PC-id_31617193,EMOLS-id_45633530,ZINC22_24151197	346.444	XNEODDPPUHQGMS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096594
O=C1CCCC(N1)CC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_99335575	346.444	FVUPYUDXRJLHGU-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-096595
O=C(c1occ2c1CCC2)NCC(c1cccs1)N1CCOCC1	MCULE-4711567681,PC-id_138997035,EMOLS-id_320315389	346.444	WPCURIDISIYEBW-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096596
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1occ2c1CCC2	ZINC22_671647895	346.444	WPCURIDISIYEBW-HNNXBMFYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096597
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1occ2c1CCC2	ZINC22_671647896	346.444	WPCURIDISIYEBW-OAHLLOKOSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096598
s1c2CCCc2cc1C(=O)OC(C(=O)NC1(CCCCC1)C#N)C	PC-id_16505637	346.444	YLSZWTNQGYNJGU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096599
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NC1(CCCCC1)C#N)C	PC-id_7623796	346.444	YLSZWTNQGYNJGU-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096600
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NC1(CCCCC1)C#N)C	PC-id_7623798	346.444	YLSZWTNQGYNJGU-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096601
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C#N	PC-id_45663356	346.444	KKBLXCYFDOJFBN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096602
s1c2CCCc2c(c1NC(=O)COC(=O)CCC1CCCC1)C#N	PC-id_8580406	346.444	LXGNNXTXNUERSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096603
s1c2CCCc2nc1NC(=O)CCCOc1c(OCC)cccc1	PC-id_26723133	346.444	ASWFVVXQDRPQTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096604
c1(sc2c(CCC2)n1)NC(=O)C(=Cc1ccccc1)c1ccccc1	PC-id_4349914,MCULE-5328733776	346.445	QUCNDLYDZVQJDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096605
O=C(Nc1nc2CCCc2s1)/C(=Cc1ccccc1)/c1ccccc1	EMOLS-id_334660053	346.445	QUCNDLYDZVQJDA-VKAVYKQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-096606
s1c2CCCc2nc1NC(=O)/C(=C/c1ccccc1)/c1ccccc1	PC-id_6525557	346.445	QUCNDLYDZVQJDA-SAPNQHFASA-N	00000010100000110001000010000000000000000000000000000000	25-01-096607
c12SCCn1cc(CNC(=O)C1CCN(CC1)Cc1ccco1)n2	ZINC22_95364326,EMOLS-id_46615808,PC-id_72870104,MCULE-5835074950	346.447	YBWUFJNNVGKYOR-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-096608
c12SCCn1cc(CNC(=O)C(CC)Nc1cccc(OC)c1)n2	EMOLS-id_32224194,PC-id_50961738,MCULE-1427588268	346.447	XDPXESUXHCIQII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096609
c1(cc(no1)C)C1CCCN1C(=O)NCCc1sc2c(CCC2)n1	MCULE-2165214830,EMOLS-id_177409105	346.447	GEWMTKZOCQPWFC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096610
c1(NC(=O)CC2(CCOCC2)n2cccc2)n(C)nc2CSCc12	PC-id_121239939,ZINC22_263587937,STOCK7S-56512,EMOLS-id_93423279,MCULE-1730336788	346.447	NFEPKIVSSMLLNZ-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-096611
Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201128	346.447	KVRDZOABOVFXAH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096612
Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100204945	346.447	NKRMMVDMTAFKKX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096613
Cc1cc(ccc1NS(=O)(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_100963914	346.447	WIATYNLYGUNJLY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096614
Cc1ccc(CN2Cc3c(C2)n(C)nc3C(=O)N2CCOCC2)s1	CHEMBL3554147,PC-id_97389064	346.447	QDIARPKUGLJLQK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096615
Cc1cc([C@H]2CCCN2C(=O)NCCc2nc3c(s2)CCC3)on1	ZINC22_584890866	346.447	GEWMTKZOCQPWFC-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096616
Cc1cc([C@@H]2CCCN2C(=O)NCCc2nc3c(s2)CCC3)on1	ZINC22_584890867	346.447	GEWMTKZOCQPWFC-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096617
Cc1csc(CN(C[C@H]2CCCO2)C(=O)c2cn3c(n2)CCC3)n1	ZINC22_1615046252	346.447	LICJIPITKHSOFL-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096618
Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2cn3c(n2)CCC3)n1	ZINC22_1615046255	346.447	LICJIPITKHSOFL-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096619
Cc1csc(n1)CN(C(=O)c1cn2c(n1)CCC2)CC1CCCO1	MCULE-5821978236,EMOLS-id_316910498	346.447	LICJIPITKHSOFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096620
Cc1nc(C2(NC(=O)NCc3cc4c(s3)CCC4)CCCC2)no1	ZINC22_95399602,MCULE-9486881172,EMOLS-id_48238622,PC-id_75421821	346.447	UBVLXWKWTIKEQI-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096621
Cc1nc(O)nc(C)c1CCC(=O)NCCc1nc2CCCc2s1	EMOLS-id_68905238,MCULE-7170914405,PC-id_118777528,ZINC22_299773638	346.447	DYEYNFPYMARAQQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096622
CC1OC(CN(C1)C(=O)NC1CC(n2c1ncc2)C)c1ccsc1	EMOLS-id_101418681	346.447	PONFBCPDZZVTLR-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-096623
CC(c1n[nH]c(n1)C1OCCN(C1)C(=O)c1sc2c(c1)CCC2)C	PC-id_75535512,EMOLS-id_43649933,MCULE-7813999254	346.447	UUKBCFNUBGNTRJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096624
CCCc1n[nH]c([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	PC-id_96100549,ZINC22_76045769	346.447	PEBPMLHKEBVNQT-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096625
CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	PC-id_96511671,ZINC22_78888933	346.447	UUKBCFNUBGNTRJ-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096626
CC(C)c1n[nH]c([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	PC-id_96511672,ZINC22_78888935	346.447	UUKBCFNUBGNTRJ-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096627
CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1	ZINC22_76045766,PC-id_96100546	346.447	PEBPMLHKEBVNQT-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096628
CCCc1n[nH]c(n1)C1OCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_72123392,MCULE-4186695325,EMOLS-id_43384323	346.447	PEBPMLHKEBVNQT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096629
CC[C@@H](Nc1cccc(OC)c1)C(=O)NCc1cn2c(n1)SCC2	PC-id_52387062,ZINC22_55183232	346.447	XDPXESUXHCIQII-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096630
CC[C@H](Nc1cccc(OC)c1)C(=O)NCc1cn2c(n1)SCC2	ZINC22_55183231,PC-id_52387061	346.447	XDPXESUXHCIQII-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096631
CC(=O)c1c(C)nn(CC(=O)NCCc2nc3CCCc3s2)c1C	MCULE-2165336354,PC-id_118772122,ZINC22_299762583,EMOLS-id_68894127	346.447	NYUBSEXYQVOIBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096632
CC(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	PC-id_24588609,EMOLS-id_31866616,MCULE-4788688563,CoCoCo_4466530,ZINC22_22197727	346.447	FLJVYEWIDYLIMA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096633
CN1CCN(C(C1)c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100186395	346.447	SJAYRIJAHSSSLV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096634
CN1CCN(CC1)Cc1oc2c(n1)CN(C2)C(=O)Cc1ccsc1	PC-id_97406078	346.447	CLZZLJZHXBJMGQ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096635
Cn1ncc2c1CN(C2)S(=O)(=O)N1CCC(CC1)c1ccccc1	MCULE-7478721578,EMOLS-id_320186648	346.447	FLKLKPSAXUSRMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096636
CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_4391697,PC-id_25984632,CoCoCo_4391698,ZINC22_14188924	346.447	PDQFUMMZVHNFNR-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096637
CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_14188926,CoCoCo_4391699,PC-id_25984634,CoCoCo_4391700	346.447	PDQFUMMZVHNFNR-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096638
N#Cc1c(NC(=O)CCN2CCC(C(=O)N)CC2)sc2c1CCC2	EMOLS-id_36908947,ZINC22_22198082,PC-id_24588695,MCULE-9764171709	346.447	OYGSJGACRIDEBE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096639
N#Cc1c(NC(=O)CCN(CC(=O)NC2CC2)C)sc2c1CCC2	PC-id_86915094	346.447	HRFRITVXGOJQKQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-096640
N#Cc1c(NC(=O)CN2CCCC2C(=O)N(C)C)sc2c1CCC2	PC-id_17465950,EMOLS-id_13528251,MCULE-4042330828	346.447	PDQFUMMZVHNFNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096641
NC[C@@H]1CN(C[C@H]1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	PC-id_120876828	346.447	YHTQBFWMLBHGAN-CABCVRRESA-N	00000010100000110001100010000000000000000000000000000000	25-01-096642
o1c(c(C[NH+](CC)CC)cc1C(=O)NCc1n2CCCc2nn1)CC	PC-id_52388049	346.447	FCHYIWBRVCYTEQ-UHFFFAOYSA-O	00000010101000000001000010000000000000000000000000000000	25-01-096643
O=C(c1cccn1CCN1CCOCC1)Nc1sc2c(n1)CCC2	EMOLS-id_258065197,MCULE-2691189355	346.447	GWONFDQZQUVMLD-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-096644
O=C(C1NCc2c1c[nH]n2)Nc1cccc(c1)CS(=O)C(C)(C)C	EMOLS-id_319388375	346.447	XCXYTIKLERQFSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096645
O=C(c1sc2c(c1)CCC2)Nc1ccn(n1)CCN1CCOCC1	EMOLS-id_98812771	346.447	PAVSXGUKJBWZHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096646
O=C(N1CCCC1c1onc(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000132	346.447	RFCOHVCOHJOFEO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096647
O=C(N1CCCC(C1)C1(C)N=N1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319407136	346.447	PZSYFNAEGYWPTO-UHFFFAOYSA-N	00110010100010000001100010000000000000000000000000000000	25-01-096648
O/C(=N/CCc1cn2c(n1)SCC2)/c1coc(C2CCCCC2)n1	MCULE-4054690270,EMOLS-id_97994435,ZINC22_328780942	346.447	UQBCNGWYPHEMFP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096649
O=S(=O)(c1cccc(c1)NCc1cnc2n1CCC2)N1CCCC1	EMOLS-id_318170881	346.447	VWRPDYRVSRMPRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096650
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)Cc1cccnc1	EMOLS-id_100226551	346.447	GJFJIFLIKJXAKX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-096651
O=S(=O)(c1cnc2n1CCC2)N1CCCN(CC1)c1ccccc1	EMOLS-id_100188540	346.447	KUSAQYMHDRNCDF-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-096652
O=S(=O)(Nc1ccccc1N1CCCCC1)c1cnc2n1CCC2	EMOLS-id_49960988,MCULE-9185810782,ZINC22_170600430,PC-id_86801011	346.447	GPLRLRUHOVMDHX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096653
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)Nc1ccc(OC)cc1	PC-id_4550397	346.447	YWTKCVXOBFJPOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096654
s1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)C(C)(C)C)(C)C)ccc1	PC-id_10247046	346.447	IPPXLTHHJUUDDO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-096655
c12SCCn1cc(CNc1cc(C3CC(C3)N)nc(COC)n1)n2	ZINC22_219326823,PC-id_91770006,EMOLS-id_55631102,MCULE-1642581741	346.45	DAXMNHBGLJPNJM-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-096656
c12SCCn1cc(CNC(=O)Cn1nccc1C1CCCNC1)n2	PC-id_119074499,EMOLS-id_82742571,MCULE-3698874450	346.45	YOHITZLWFAAEHL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096657
c1(N2CCOCC2)nc(CC)cc(NCc2cn3c(SCC3)n2)n1	ZINC22_1529172044,EMOLS-id_316158967,PC-id_134708604,MCULE-2648982494	346.45	DTNIWUTWTDGORI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-096658
c
(=NC(=O)CC2(CCCCC2)Cn2cnnn2)/sc2c(CCC2)[nH]1	EMOLS-id_46565957,EMOLS-id_44211420,STOCK7S-34008,MCULE-3923740273,ZINC22_79488221,PC-id_60178111	346.45	DFLZOLNVTBUPIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096659
CC1=C([S]=C(N1)n1cccc1)C(=O)Nc1c2CSCc2nn1C	EMOLS-id_320512816	346.45	IZKXDMRWRUBCDN-UHFFFAOYSA-N	00000011110000000001100010000000000000000000000000000000	25-01-096660
C[C@H](NC(=O)NCCc1nnc2n1CCC2)c1csc(C2CC2)n1	ZINC22_95409941,PC-id_97222754	346.45	NYNAOGXDLPUYRX-JTQLQIEISA-N	00100010100000000001100010000000000000000000000000000000	25-01-096661
C[C@@H](NC(=O)NCCc1nnc2n1CCC2)c1csc(C2CC2)n1	ZINC22_95409942,PC-id_97222755	346.45	NYNAOGXDLPUYRX-SNVBAGLBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-096662
NCc1nn2c(c1C(=O)N=c1ccn(C3CCSCC3)[nH]1)CCC2	ZINC22_2325795967	346.45	IRKUPMWSHREZRM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096663
O=C(CN1CCNCC1c1nccn1C)Nc1sc2c(n1)CCC2	PC-id_120870853	346.45	HUNHOUMXXIJXTQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096664
O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1cn2c(n1)SCC2	ZINC22_426727042	346.45	YOHITZLWFAAEHL-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096665
O=C(Cn1nccc1[C@H]1CCCNC1)NCc1cn2c(n1)SCC2	ZINC22_426727046	346.45	YOHITZLWFAAEHL-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096666
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ncc(s1)C1CCCCC1	EMOLS-id_318964127	346.45	UVNBWERFQQAJJT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096667
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1scc(n1)C1CCCCC1	EMOLS-id_319280472	346.45	CHRDWWCJWBJXSQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096668
O=C(N1CCCC1c1nncn1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005652	346.45	XYAVWFHSFCTNHF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096669
O=C(N1CCC(C1)c1n[nH]c(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102012718	346.45	PPHJXHZGVKXXNR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-096670
O=C(N1CCCC(C1)n1nncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102211669	346.45	ARWTYYXTVMPEKA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096671
O=C(N1CCCN(CC1)c1nccs1)NC1CC(n2c1ncc2)C	EMOLS-id_101436732	346.45	PGBDWDXWHFQCNO-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-096672
O=C(N1CCN(CC1)c1scc(n1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101436615	346.45	HWOLEFZSFSGZOD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096673
O=C(NC(c1csc(n1)C1CC1)C)NCCc1nnc2n1CCC2	PC-id_75425428,MCULE-8467920608,EMOLS-id_48254517	346.45	NYNAOGXDLPUYRX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-096674
O=C(NC(c1nnc2n1CCC2)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002046	346.45	UWFXZWOVIKDHAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096675
O=C(NCc1nnc2n1CCC2)N1CCN(Cc2ccsc2)CC1	MCULE-8005333638,ZINC22_55078050,EMOLS-id_35690244,PC-id_53500701	346.45	UMJGDPDPQVEENP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096676
s1c(nnc1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)C(C)(C)C	PC-id_59863551	346.454	SDSBOSXVASGDSW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-096677
Fc1ccc(cc1)C(C1CCN(CC1)Cc1sc2c(n1)CCC2)O	PC-id_109974808	346.462	SPLQPDIKCSYHTB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096678
Fc1ccc(cc1)CC1(CCOCC1)NCc1sc2c(n1)CCC2	EMOLS-id_318021160	346.462	GQAUGVSUXWBTJE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096679
Fc1ccc(cc1)C(CC1CCCN1Cc1sc2c(n1)CCC2)O	PC-id_109975438	346.462	QJDYIDYAPJIEEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096680
COC(C1CCCOC1)CS(=O)(=O)N1Cc2c(C1)nc(s2)C	EMOLS-id_319185740	346.465	HVUIKHVYIYTXOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096681
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)CCC3CCCCC3)C2)n1	EMOLS-id_316329277,MCULE-3168514070	346.467	NLDXAUCHDXADPL-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096682
c1(C(=O)N[C@@H]2[C@@H](CCC)CN(C3CCOCC3)C2)c2CCCc2[nH]n1	PC-id_72847171,ZINC22_91289628,EMOLS-id_46032023,MCULE-3042898807	346.467	QCRJWSCVXGFZOK-GUYCJALGSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096683
c1(NC(=O)c2ccc(cc2)CSC)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348497,PC-id_84418753,MCULE-9402175873	346.467	PXAMMBRHOCFSFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096684
c1(NC(=O)c2ccc(cc2)SCC)sc2c(CCC2)c1C(=O)N	MCULE-7744315273,EMOLS-id_16349201,PC-id_7579217,ZINC22_5241544,CoCoCo_2590310	346.467	OVALMDIFESTFRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096685
c1(NC(=O)c2ccccc2SCC)sc2c(CCC2)c1C(=O)N	ZINC22_4585705,EMOLS-id_16344688,MCULE-3593135909,CoCoCo_2580159,PC-id_7295125	346.467	TVURVBADJGVDKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096686
c1(NC(=O)c2cccc(SCC)c2)sc2c(CCC2)c1C(=O)N	CoCoCo_2590309,MCULE-3928652390,PC-id_7578814,EMOLS-id_16349199	346.467	JXMRJKBKALGZLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096687
c1(NC(=O)c2ccc(CSC(C)C)o2)sc2c(CCC2)c1C#N	EMOLS-id_322860009,MCULE-7271944965	346.467	YCQMRKFABGVOPD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-096688
c1(NC(=O)CSc2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	PC-id_19204342,MCULE-3052599222	346.467	VWAAPJWLCFMACF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096689
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334332626,MCULE-8026220262	346.467	AASQJIOLYJBATL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096690
c1(NC(=S)Nc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	TIMTEC292737,CoCoCo_6800627,PC-id_3300687,ZINC22_6546492,EMOLS-id_4025297,MCULE-5685241484	346.467	LQEPNBVCFUCMEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096691
c1(NC(=S)Nc2ccccc2)sc2c(CCC2)c1C(=O)OCC	TIMTEC28953,SPECS-id_AK-245/11622017,ZINC22_4134512,STOCK1S-21603,CT-id_2235915,2235915_OpenMolecule,CoCoCo_5014809,CoCoCo_71054,TIMTEC28954,MCULE-3487053377,EMOLS-id_936548,BAS-00435706,TIMTEC385062,PC-id_812440,CoCoCo_5014808	346.467	PPFLUKYHYXIBFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096692
c1(NC(=S)Nc2cccc(C)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4025301,ZINC22_6547292,PC-id_3300683,CoCoCo_6800610,TIMTEC327769,MCULE-5950336122	346.467	NDFMQBRDQGAWEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096693
c1(NC(=S)NCc2ccccc2)sc2c(CCC2)c1C(=O)OC	CoCoCo_6964798,SPECS-id_AO-476/43417032,PC-id_19649296,EMOLS-id_30081118,MCULE-2695912572,ZINC22_13814118	346.467	DQPKSGDMIWOZJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096694
CC1CCC(C(C1)C1CCCCN1C(=O)NC1CCn2c1ncc2)O	MCULE-5464912805,EMOLS-id_320037543	346.467	FXTPPFGZFVAKFT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096695
CC1CCC(C(C1)C1CCCN1C(=O)NC1CC(n2c1ncc2)C)O	EMOLS-id_101574837	346.467	BJCYNTKBNKBOQD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096696
CC1CC(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)C1	ZINC22_1565555724,EMOLS-id_313734357	346.467	ORXWRFALZWERPP-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-096697
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCN1CCN(CC1)C	PC-id_101676818	346.467	FRSZCLNJCRPWIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096698
CCCN(C1C2CCOC2C1(C)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579184	346.467	QPMZELKIMJCZLN-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-096699
CCOC(=O)c1c(sc2c1CCC2)N(c1ccccc1)C(=S)N	PC-id_141124184	346.467	YMYVIQNZZMZRLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096700
CSC(C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2)C	MCULE-7344581540,PC-id_145893307,EMOLS-id_320355644	346.467	QUPDFDUQBZRGBF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-096701
CSC(C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2)C	EMOLS-id_320342596,PC-id_145894456,MCULE-8649207772	346.467	JYPGWPRTGPDKHZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-096702
CS[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2	ZINC22_187136571	346.467	QUPDFDUQBZRGBF-JTQLQIEISA-N	00000010100000101000000010000000000000000000000000000000	25-01-096703
CS[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2	ZINC22_187136588	346.467	QUPDFDUQBZRGBF-SNVBAGLBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-096704
CS[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	ZINC22_187313929	346.467	JYPGWPRTGPDKHZ-JTQLQIEISA-N	00000010100000101000000010000000000000000000000000000000	25-01-096705
CS[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	ZINC22_187313946	346.467	JYPGWPRTGPDKHZ-SNVBAGLBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-096706
OC1CCCCC1C1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318105688	346.467	QOEOBINSALGGNY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-096707
O=C(c1n[nH]c2c1CCC2)NC1CCN(CC1)CC1(O)CCCCC1	PC-id_109957159	346.467	XUQQJGBEJNVRTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096708
O=C(c1n[nH]c2c1CCC2)NCC1(CCCCC1)CN1CCOCC1	EMOLS-id_100910919	346.467	CIDHKGZSRQQSGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096709
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)C(=O)c1nccs1	PC-id_16670419,ADM-11342544	346.467	MMQVEIXRRRZJDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096710
OC[C@@H]1[C@@H](CN(C1)C(=O)c1n[nH]c2c1CCC2)CN1CCCCCC1	PC-id_72879510,MCULE-7110731524,EMOLS-id_46055215	346.467	VDRWKKUIJABDDH-HUUCEWRRSA-N	00000010100000000101000010000000000000000000000000000000	25-01-096711
O=C(N1CCC(CC1)OC1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101414179	346.467	ZOWQKCZYJCPNQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096712
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(=O)c1sccc1	PC-id_9476691	346.467	GMTNGBDFYXAMFE-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096713
s1c2CCCc2cc1C(=O)NNC(=O)c1c(SCC)cccc1	PC-id_24658090	346.467	HPZZIISNZFUKDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096714
s1c2CCCc2cc1C(=O)NNC(=O)CSc1ccc(cc1)C	PC-id_26872489	346.467	YQLGIMCUMLVAMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096715
s1c2CCCc2cc1C(=O)NNC(=O)CSc1c(cccc1)C	PC-id_26872781	346.467	BZCXUIAZGXXDNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096716
s1c2CCCc2cc1C(=O)NNC(=O)C(Sc1ccccc1)C	PC-id_51166589	346.467	TUNSCOOOLLSPEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096717
s1c2c(CCC2)c(c1NC(=O)CSc1c(cccc1)C)C(=O)N	PC-id_5011493	346.467	WGZMRRBVFFMXFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096718
s1c2c(CCC2)c(c1NC(=O)CSCc1ccccc1)C(=O)N	PC-id_8025681	346.467	WOSYWKBZGOPELQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096719
s1c2c(CCC2)c(c1NC(=S)Nc1c(cccc1)C)C(=O)OC	PC-id_8660198	346.467	YVQYTBCDPZNDLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096720
CC1(C)OCCN(C1)S(=O)(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99819532	346.469	UBRHNXPTPRPHTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096721
O=C(CN(S(=O)(=O)C)C)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030682	346.469	WEPNXDNBBYYBJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096722
CC(C)[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1nnc2n1CCC2	PC-id_97558524,ZINC22_96404825	346.47	IRJGTIYBJHACDX-INIZCTEOSA-N	00100010100010000001100010000000000000000000000000000000	25-01-096723
CC(C)[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1nnc2n1CCC2	ZINC22_96404826,PC-id_97558525	346.47	IRJGTIYBJHACDX-MRXNPFEDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-096724
CC(C)[C@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1nnc2n1CCC2	ZINC22_95394107,PC-id_97211872	346.47	BSHNIMRNJKAQTK-ZBFHGGJFSA-N	00100010100000000001000010000000000000000000000000000000	25-01-096725
CC(C)[C@@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1nnc2n1CCC2	ZINC22_95394108,PC-id_97211873	346.47	BSHNIMRNJKAQTK-GDBMZVCRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-096726
CC(C)[C@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1nnc2n1CCC2	ZINC22_95394109,PC-id_97211874	346.47	BSHNIMRNJKAQTK-HOCLYGCPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-096727
CC(C)[C@@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1nnc2n1CCC2	ZINC22_95394110,PC-id_97211875	346.47	BSHNIMRNJKAQTK-GOEBONIOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-096728
O=C(c1cc2c(s1)n(nc2C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180150	346.47	NKOWVULYLNMNLR-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-096729
OCCn1nc(cc1NCc1sc2c(n1)CCC2)c1cccs1	PC-id_109948552	346.47	QUZAAOAMRAXZGU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-096730
O=C(NC1CCN(C1)CC1CCCC1)NCCc1nnc2n1CCC2	MCULE-5453992251,EMOLS-id_48254591,PC-id_75378377	346.47	DTDLWHZMFCUXDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096731
O=C(NC1CCN(C2CC2)CC1)NC(c1n2CCCc2nn1)C(C)C	MCULE-2935325422,EMOLS-id_49005340,PC-id_72020821	346.47	IRJGTIYBJHACDX-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-096732
O=C(NC1CN(CC2CC2)CC1)NC(c1n2CCCc2nn1)C(C)C	EMOLS-id_48231123,PC-id_75370160,MCULE-7858931699	346.47	BSHNIMRNJKAQTK-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-096733
O=C(N[C@H]1CCN(C1)CC1CCCC1)NCCc1nnc2n1CCC2	PC-id_97048856	346.47	DTDLWHZMFCUXDW-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096734
O=C(N[C@@H]1CCN(C1)CC1CCCC1)NCCc1nnc2n1CCC2	PC-id_97048857	346.47	DTDLWHZMFCUXDW-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096735
CC(Oc1cccc(c1)C(CNC(c1sc2c(n1)CCC2)C)O)C	PC-id_109908771	346.487	SAZKEHIQFHAOPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096736
OC(c1ccco1)CC1CCCCCN1Cc1sc2c(n1)CCC2	PC-id_109975436	346.487	XBJXCMGWNJVOCF-UHFFFAOYSA-N	00000010101000000101000010000000000000000000000000000000	25-01-096737
s1c(C(=O)N2CCC(CC2)C(=O)N2CCCCC2)cc2CCCc12	PC-id_51219524	346.487	PPYQCLAJGFNJQR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-096738
s1cc2CN(C(c3ccccc3)C)/C(=N/C(c3ccccc3)C)/c2c1	PC-id_21796941	346.488	ZVWGPFOIBTUJCL-GHVJWSGMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096739
c1(NC(=O)CCCCCn2c(C)ccc2C)n(C)nc2CSCc12	EMOLS-id_93420500,ZINC22_263587110,PC-id_121238889,STOCK7S-57045,MCULE-7375235755	346.49	CFEWKIKMMFNQEP-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-096740
CC(c1nn2c(c1)CCC2)NCC(c1cccs1)N1CCOCC1	EMOLS-id_318370374	346.49	ZLFVYSSHFYZIHG-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096741
CC(C)n1nc(CN2CCOCC2)c2c1CN(Cc1ccsc1)C2	PC-id_97519259,ZINC22_96259172,EMOLS-id_44369890	346.49	HCLKKLFOSZRLHN-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-096742
N#Cc1c(NC(=O)C(N(CCN2CCCC2)C)C)sc2c1CCC2	EMOLS-id_98202136	346.49	FTCAXRJWGVNKOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096743
N#Cc1c(sc2c1CCC2)NC(=O)[C@@H]([N@@H+](Cc1cccs1)C)C	GD-id_ZINC42326229	346.49	LOAOXVFVQPDWOQ-NSHDSACASA-O	00000010100100000000000010000000000000000000000000000000	25-01-096744
s1c2c(CCC2)c(c1NC(=O)C[NH+](C(c1sccc1)C)C)C#N	PC-id_74744927	346.49	WFBPKQYCNDITAA-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-096745
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)CC)C#N	PC-id_8718266	346.49	SPMYWNOMTCPUQG-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-096746
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1C)C)C#N	PC-id_9433940	346.49	HWKDLFGJHYBSIF-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-096747
s1c2c(CCC2)c(c1NC(=O)C[NH+]([C@H](c1sccc1)C)C)C#N	PC-id_41078601	346.49	WFBPKQYCNDITAA-NSHDSACASA-O	00000010100100000000000010000000000000000000000000000000	25-01-096748
s1c2c(CCC2)c(c1NC(=O)C[NH+]([C@@H](c1sccc1)C)C)C#N	PC-id_41078603	346.49	WFBPKQYCNDITAA-LLVKDONJSA-O	00000010100100000000000010000000000000000000000000000000	25-01-096749
s1c2CCCc2nc1NC(=O)CCc1c(n(nc1C)CC(C)C)C	PC-id_33040554	346.49	CDUBSLBPNXBNGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096750
S1c2n(CC1)c(c(n2)C)CSCCN/C(=C/[N+](=O)[O-])/SC	PC-id_50878404	346.492	DFIDSCQZYXXWFP-XFFZJAGNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096751
S1c2n(CC1)c(c(n2)C)CSCCNC(=C[N+](=O)[O-])SC	PC-id_75572676	346.492	DFIDSCQZYXXWFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096752
CCCCCN/C(=NCc1cccs1)/NCc1nnc2n1CCC2	PC-id_75532826,ZINC22_75583557	346.494	RVFQHYYALPODNC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-096753
CC(C)N(Cc1nc(N)nc(N(C)C)n1)Cc1cc2c(s1)CCC2	EMOLS-id_48252101,ZINC22_95409281,MCULE-4475852642,PC-id_75377444	346.494	CSTHODZNSOVJOF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096754
CCNC(=NCc1nnc2n1CCC2)NC(Cc1ccc(s1)C)C	PC-id_109513743	346.494	OYFMQFUXKLLFBL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-096755
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccs1)(C)C	PC-id_111581161	346.494	YIPRIBCFYANXLE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-096756
CCNC(=NCc1nnc2n1CCC2)NCC(Cc1cccs1)C	PC-id_111510271	346.494	SFDLLROKJOMQIU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-096757
CCCCN(C(=O)c1nn2c(c1)CCC2)C1CC(C)(C)NC(C1)(C)C	EMOLS-id_317995164	346.51	QGLCJBWXTNLFJY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096758
s1c2c(CCC2)cc1C(=O)NCC(N1CCCC1)c1sccc1	PC-id_51179569	346.51	UVCUTBCZCAEMOZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-096759
s1c2CN(Cc2cc1C(=O)NCc1ccc(SC)cc1)C(C)C	PC-id_53171066	346.51	VQRKTYFJZIMDTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096760
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCC1)CC(C)C	PC-id_109592097	346.513	HOEOZFSYELEFHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096761
CCNC(=NCc1nnc2n1CCC2)NC(CCC1CCCCC1)C	PC-id_109482436	346.513	OVJFVFSVLVLMRH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-096762
c1(NC(=O)CCCCCCCCCCC)sc2c(CCC2)c1C#N	TIMTEC553360,PC-id_3593295,ZINC22_98001584,MCULE-4588454149,EMOLS-id_6739605,CoCoCo_1921238	346.53	XPAVNCUJRWZCSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096763
O=C(NCC1(N2CCCCC2)CCCCC1)c1cc2c(s1)CCC2	ZINC22_3432692,EMOLS-id_3312169,CoCoCo_3645921,MCULE-1970659690,PC-id_2552279	346.53	NNNYKSDGAKKJSY-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-096764
CC(=C1C=c2c(=C1[Si](C)(C)C1=c3cc[nH]c3=CC1=C(C)C)cc[nH]2)C	PC-id_91400711	346.541	XKNVAELIPQODTD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096765
ClC(Cl)(Cl)c1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324907534	346.62	BBWVZSZAKQZTLQ-VURMDHGXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-096766
n12c(=O)c(=Cc3ccccc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8241984532	346.62	BBWVZSZAKQZTLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-096767
Brc1cc(F)c(NC2CCc3sc(Cl)cc23)cc1	PC-id_81252371	346.646	RABZFVLNQKJRTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096768
Brc1cc(NC2CCc3sc(Cl)cc23)c(F)cc1	PC-id_81251720	346.646	HDCJKEVCWNDJHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096769
Brc1c(F)cc(NC2CCc3sc(Cl)cc23)cc1	PC-id_81252304	346.646	NFXUECJXNAOYFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096770
Brc1c(NC2CCc3sc(Cl)cc23)ccc(F)c1	PC-id_81252990	346.646	MIJBWCILJGGQSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096771
Clc1cc2c(s1)CCC2Nc1c(F)cccc1Br	PC-id_107598053	346.646	IUNOBESWXVZLES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096772
Clc1sc2c(c1)C(CC2)Nc1ccc(c(c1)Br)F	PC-id_113451901	346.646	DHGWGPVQJWMZGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096773
Fc1ccc(c(c1)NC1CCc2c1cc(s2)Cl)Br	PC-id_107632921	346.646	ONFLOPLKDCBCHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096774
Clc1c(CNCc2sc3c(CCC3)c2)c(Cl)ccc1Cl	PC-id_78943886	346.702	ZHTZRDWQCXJVGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096775
Clc1sc2c(C(NC(c3cc(Cl)c(Cl)cc3)C)CC2)c1	PC-id_81252570	346.702	LDJFJBOGSRZWGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096776
Clc1sc2c(C(NC(c3c(Cl)cc(Cl)cc3)C)CC2)c1	PC-id_81251708	346.702	QEZCQMKRHQFXIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096777
Clc1sc2c(C(NCCc3c(Cl)cc(Cl)cc3)CC2)c1	PC-id_81252981	346.702	RMNVFMSVKLYDOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096778
CC1CCc2c1c(CCl)nn2Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_331024904,MCULE-1305868469	346.75	DRBZLRPBHCVLIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096779
CC1CCc2c1c(CCl)nn2Cc1cccc(c1F)C(F)(F)F	EMOLS-id_331025161,MCULE-8510847417	346.75	FTGYRYRDXDEGOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096780
CC1CCc2c1c(CCl)nn2Cc1cc(ccc1F)C(F)(F)F	MCULE-4905221167,EMOLS-id_331025929	346.75	YUKOKUCDQZHKSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096781
CC1CCc2c1c(CCl)nn2Cc1ccc(c(F)c1)C(F)(F)F	MCULE-2752677196,EMOLS-id_331025160	346.75	VAULFUYZUWXCQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096782
CC1CCc2c1c(CCl)nn2Cc1ccc(F)cc1C(F)(F)F	EMOLS-id_331023369,MCULE-3805113114	346.75	FKUMUSPRLWGWOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096783
CC1CCc2c1c(CCl)nn2Cc1ccc(F)c(c1)C(F)(F)F	MCULE-2506721519,EMOLS-id_331025417	346.75	TYWDFNIPLUMTGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096784
CC1CCc2c1c(CCl)nn2Cc1cc(F)cc(c1)C(F)(F)F	EMOLS-id_331025673,MCULE-3360820489	346.75	USRMMMHACUTCNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096785
CC1CCc2c1c(CCl)nn2Cc1cc(F)ccc1C(F)(F)F	MCULE-9254655881,EMOLS-id_331023625	346.75	OLUGGJQZJZZROW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096786
CC1CCc2c1c(CCl)nn2Cc1c(F)cccc1C(F)(F)F	EMOLS-id_331023113,MCULE-8711969220	346.75	MVXQUWCGGYIAEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096787
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(CCl)c12	EMOLS-id_331008946,MCULE-1394759142	346.75	SVTJVHDHQKUXTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096788
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(CCl)c12	EMOLS-id_331009971,MCULE-7488426972	346.75	BBGXASGJKBKINK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096789
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(CCl)c12	MCULE-9993266974,EMOLS-id_331009203	346.75	LCQHXAOLOJHXTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096790
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(CCl)c12	MCULE-6973475165,EMOLS-id_331009202	346.75	ABQCHOYJZSLMSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096791
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(CCl)c12	MCULE-5625372012,EMOLS-id_331007411	346.75	VNAVMEIKDCSNMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096792
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(CCl)c12	MCULE-7147609459,EMOLS-id_331009459	346.75	CGYHZCGOXUFPNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096793
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(CCl)c12	EMOLS-id_331007667,MCULE-5037916877	346.75	PIKJHVSHGCXYAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096794
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(CCl)c12	EMOLS-id_331009715,MCULE-1737349413	346.75	DKJUSBSOSARURH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096795
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(CCl)c12	MCULE-8085556835,EMOLS-id_331007155	346.75	OEXVOGUDXXCUSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096796
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330957750,MCULE-9607538561	346.75	XKFYFVPBQOGCQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096797
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960056,MCULE-5977804870	346.75	ZTKZOICVOIBCPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096798
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960312,MCULE-8344535160	346.75	DQVZPBPXOMUVSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096799
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1Cl	MCULE-8280216059,EMOLS-id_330957494	346.75	LNQNRHGMOXXXAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096800
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1Cl	MCULE-4330881546,EMOLS-id_330959800	346.75	XIALLIXIMGAUCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096801
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1Cl	MCULE-8135527492,EMOLS-id_330957242	346.75	TUGQWORZMCHZDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096802
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330960568,MCULE-9586948504	346.75	BAWOMPRVRXXHQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096803
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1Cl	MCULE-8059762165,EMOLS-id_330957498	346.75	LFCCTKXSCKSWJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096804
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1Cl	EMOLS-id_330956986,MCULE-3737159708	346.75	ZUMWEYCDOIJPFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096805
Clc1c(NC(=O)c2sc3CCCc3c2)ncc(c1)C(F)(F)F	PC-id_2316425,CK2060891	346.755	YUYHQOSIOJTZOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-096806
Clc1cccc(c1)N1CCC(C1=O)NC(=O)c1nn2c(c1)OCC2	PC-id_145892031,EMOLS-id_324022047,MCULE-4654902656	346.768	GUJFLOLLZHYGSR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096807
Clc1cc(C=Nc2sc3CCCc3c2C#N)c([O-])c([N+](=O)[O-])c1	PC-id_7341416	346.768	KSBKPAMFKQRYEQ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-096808
ClCC(=O)N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)C)C1	PC-id_71453332	346.768	ABAHLKUEZITNQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096809
O=C1CC(CN1c1ccccc1Cl)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_316050906,MCULE-2109519380	346.768	UKOZFOQGXJUKMA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096810
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc2n(n1)CCO2	ZINC22_290308406	346.768	GUJFLOLLZHYGSR-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096811
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc2n(n1)CCO2	ZINC22_290308409	346.768	GUJFLOLLZHYGSR-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096812
O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc2n(n1)CCO2	ZINC22_368101647	346.768	UKOZFOQGXJUKMA-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-096813
O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc2n(n1)CCO2	ZINC22_368101648	346.768	UKOZFOQGXJUKMA-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096814
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccccc1Cl)C	PC-id_111294565	346.858	AVOVEYCBRSPZPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096855
c
(=N/C(=O)c2ccc(c(c2)n2cnnn2)Cl)/sc2c(CCC2)[nH]1	STOCK7S-31881,PC-id_60176349,EMOLS-id_46565093,ZINC22_79479183,EMOLS-id_44207434,MCULE-4655334634	346.795	QMIIOVPQSOIFSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096815
c1(C(=O)Nc2ccc(c(Cl)c2)C(=O)N(C)C)c2CCCc2n(C)n1	MCULE-3643007831,PC-id_84467393,EMOLS-id_320480267	346.811	UJEPQQFNLGKHSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096816
CN(Cc1nnc2n1CCC2)C(=O)CCC(=O)c1ccc(Cl)cc1	EMOLS-id_31936748,PC-id_45819277,CoCoCo_4880105,MCULE-2934295280,ZINC22_40523054	346.811	BEKWRIBJHVVHDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096817
O=C(C1NCc2c1c[nH]n2)Nc1ccc(c(c1)Cl)OC1CCCC1	EMOLS-id_319208258	346.811	OUXOPGSWECOQCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096818
O=C(Nc1cccc(Cl)c1N1CCOCC1)c1n[nH]c2c1CCC2	EMOLS-id_99225994,MCULE-6975681978,ZINC22_122747922,PC-id_122131006	346.811	OFIZNJCLEHFEKR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096819
Clc1cc(NN=C2C(=Nn3c2nnc3C)C(C)(C)C)c(OC)cc1	PC-id_53763762	346.815	HZWBMPZSAKCTNI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-096820
Clc1cc(N/N=C/C(=Nn3c2nnc3C)C(C)(C)C)c(OC)cc1	PC-id_59956164	346.815	HZWBMPZSAKCTNI-MOSHPQCFSA-N	00000011100000110001000010000000000000000000000000000000	25-01-096821
O=C(c1nc(ncc1Cl)N1CCCC1)NCc1cnc2n1CCC2	MCULE-6379543939,EMOLS-id_320332648	346.815	DKOTWOHAIAQQSG-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-096822
O=C(c1nc(ncc1Cl)N1CCCC1)NCc1n[nH]c2c1CCC2	EMOLS-id_318844027	346.815	BKTBSTMMGHHVCN-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-096823
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_832022,MCULE-3638670428	346.831	KBJYJFKIHNTIFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096824
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)N	PC-id_73568648,MCULE-7618251630	346.831	FPWUUMQTJXUPPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096825
c1(NC(=O)C(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322627649,MCULE-6462610013	346.831	XQMAYWRNKDWVMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096826
c1(NC(=O)CCOc2ccccc2Cl)sc2c(CCC2)c1C#N	MCULE-7196937004,PC-id_108802337,EMOLS-id_182619816	346.831	XRXMZXSRROTECY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096827
c1(NC(=O)CCOc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	PC-id_108802959,MCULE-3256849430,EMOLS-id_182622049	346.831	QSPSKURLXGVIBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096828
c1(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c(CCC2)c1C#N	TIMTEC491257,EMOLS-id_4025481,MCULE-2160882265,PC-id_17285373	346.831	UXSCSIHUFKBDPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096829
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCC2)c1C#N	CoCoCo_356041,SPECS-id_AN-153/I181374,EMOLS-id_1487164,ZINC22_4103843,BAS-06848403,PC-id_3154710,MCULE-5818476765,ChEMBL-DNDi_CHEMBL3772-2863	346.831	CRKCAQMLKHCFKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096830
Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)ccc1Cl	EMOLS-id_1487166,PC-id_958572,BAS-06848405,CoCoCo_356042,ZINC22_566909,MCULE-5581370327,SPECS-id_AN-153/I181369	346.831	ZLQVKZPZAPZUSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096831
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_6815800,ZINC22_2764482,PC-id_40438045	346.831	UXSCSIHUFKBDPZ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-096832
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_40438046,ZINC22_2764483,CoCoCo_6815799	346.831	UXSCSIHUFKBDPZ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096833
CCNC(=NCc1nnc2n1CCC2)N(Cc1cccc(c1)Cl)C	PC-id_111305401	346.858	BNXGOKUEASRASW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096856
CCOc1ccc(cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_958577,EMOLS-id_1487146,BAS-06848354,MCULE-9060446514,ZINC22_566917,CoCoCo_356031,SPECS-id_AN-153/I226310	346.831	CTGRDRNUDZCPFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096834
Clc1ccc(cc1)NC(=O)c1cc2c(s1)CCN2C(=O)C1CC1	PC-id_97407217	346.831	LSCRSQJWPICWOJ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-096835
Clc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_19203582	346.831	FPWUUMQTJXUPPJ-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096836
Clc1ccc([C@H](OC)C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_52434304	346.831	IOWTYGLQEPOUJU-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096837
Clc1ccc([C@@H](OC)C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_52434305	346.831	IOWTYGLQEPOUJU-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096838
Clc1ccc(C(OC)C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_75846931	346.831	IOWTYGLQEPOUJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096839
Clc1c([C@H](OC)C(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_52434308	346.831	QCELOOUKJSCXEF-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096840
Clc1c([C@@H](OC)C(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_52434309	346.831	QCELOOUKJSCXEF-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096841
Clc1c(C(OC)C(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_75846933	346.831	QCELOOUKJSCXEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096842
NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2	EMOLS-id_45514312,ZINC22_356012,CoCoCo_2421434,TIMTEC256145,PC-id_832023	346.831	KBJYJFKIHNTIFG-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096843
O=C(Nc1sc2c(c1C(=O)N)CCC2)/C=Cc1ccc(cc1)Cl	CoCoCo_2421435	346.831	KBJYJFKIHNTIFG-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096844
Clc1ccc(s1)c1c[nH]cc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_318935486	346.834	YFMXOMAJCSOMPP-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-096845
Clc1ccc(s1)c1c[nH]cc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318863291	346.834	BEMHOPJHSYYGAT-UHFFFAOYSA-N	00000010110100000001100010000000000000000000000000000000	25-01-096846
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(CC)c2)Cl)n1	MCULE-7914774561,EMOLS-id_330997247	346.851	LJXVLYYWQLLTBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096847
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(CC)c1)Cl	MCULE-2329210317,EMOLS-id_330977979	346.851	QPTVTVDXHOHRLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096848
Clc1ccc(Cn2c3C(CCc3nc2C(C)(C)C)CC(=O)O)cc1	PC-id_58460229,SCHEMBL12199329	346.851	NAXQPXWWOSKUCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096849
CC(C)(C)c1nnc2n1C(CC2)C(=O)NCCc1ccc(cc1)Cl	PC-id_134789548	346.854	YRDGPRQZJBVPRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096850
CCC(CC)(C(=O)NCc1nnc2n1CCC2)c1ccc(Cl)cc1	PC-id_53552722,EMOLS-id_35762901,MCULE-3373229175,ZINC22_65623047	346.854	ACQVKCZJMWRXEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096851
Clc1ccc(cc1CN1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318386180	346.854	AATSZKGEQKAJHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-096852
Clc1c(C[NH2+]CC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_8150269	346.854	ODCCFJSEMGJAPB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-096853
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)Cl)C	PC-id_111293687	346.858	BSQUQZOFYHAVAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096854
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1)Cl	PC-id_111020237	346.858	PUASFPBAHIBHNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096857
CCNC(=NCc1nnc2n1CCC2)NCCc1cccc(c1)Cl	PC-id_111020453	346.858	PWPYUCDVQMOVGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096858
CCNC(=NCc1nnc2n1CCC2)NCCc1ccccc1Cl	PC-id_111020625	346.858	WMRCJPIERUUBIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096859
Clc1ccc(nc1)C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_319807115	346.874	WZHLADLRLRPCJK-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-096860
Clc1cc(N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)ccc1	PC-id_9208303	346.874	CFDOXLBBXXTHHX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096861
O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2Cl)CC1	ZINC22_8077068,PC-id_9209963,EMOLS-id_33331456,MCULE-2351913195	346.874	DFLCTHWFPXBZQD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096862
C1CN2C(=NC(=N2)Br)C1OC3=CC(=CC(=C3)Cl)Cl	PC-id_153606623	346.923	CANXMFNMMZSHMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096863
C1CN(C2=NC=CN21)S(=O)(=O)CCCS(=O)(=O)C(F)(F)F	EMOLS-id_317761725,PC-id_154784008,MCULE-5859258411	347.022	GBQMLPNKKXTDRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096864
C1CC2=C(C1)NN=C2C(=O)NC3=CC=NN3CC4=CC=C(S4)Cl	PC-id_154785931,MCULE-6184471912,EMOLS-id_317744067	347.061	KOBRMASRVSIAGL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-096865
C/C=C(C(=C)C(F)(F)F)/SN1C=C2CN(CC2=N1)C(=O)CCO	PC-id_164872181	347.092	QUFCMCQPGSXSAZ-KGVSQERTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096866
C/C(=C(C=C)/SN1C=C2CN(CC2=N1)C(=O)CCO)/C(F)(F)F	PC-id_164872043	347.092	SRWYZLYOOWUBKV-XFXZXTDPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096867
CCC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=C3CCCC3=NN2C	MCULE-7130214885,EMOLS-id_317746837,PC-id_154736464	347.13	PVEZFGBBWKZQFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096868
OCC1COc2c1sc(n2)S(#P)I	SCHEMBL15919196	347.134	HOHWNSFAIYPPPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096869
O[N+](=O)N1CN(n2n1n([N+](=O)O)n(n2[N+](=O)O)[N+](=O)O)[N+](=O)O	PC-id_101550300	347.141	KPFRMECMXSESBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096870
c12CN(Cc1nn(CC1CC1)c2I)C(=O)OC	EMOLS-id_324342116,MCULE-9938985688	347.152	YOAMZRDIPVNPCM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-096871
Bc1ccc(cc1)c1noc(c1C(=O)c1cn2c(c1)C(=O)NC2(C)C)C	SCHEMBL14034673	347.176	IRBDEUZLTNGHAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096872
CCn1ncc(n1)S(=O)(=O)N1CCn2c1c(Br)cn2	EMOLS-id_319591361	347.192	YEDMQGSPQKNNID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096873
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)c(c(c1)Cl)F	PC-id_107580563	347.192	NBIRFLAQAQQWFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096874
OC(=O)C1CCc2c1nc(s2)Nc1c(Cl)cc(cc1Cl)F	PC-id_104289226	347.192	HETJQDVYSZQAST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096875
BrC(c1sc2c(CCC2)c1)c1c(F)cc(F)cc1F	PC-id_63438302	347.193	MAJWHWKYNYHLHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096876
Fc1cc(F)c(cc1C(c1sc2c(c1)CCC2)Br)F	PC-id_113800615	347.193	YHAJLYWPVZSPDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096877
C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1Cc2conc2C1	ZINC22_1875396318	347.206	BPPYYPHHKDVOOM-BBRMVZONSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096878
C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1Cc2conc2C1	ZINC22_1875396319	347.206	BPPYYPHHKDVOOM-CJNGLKHVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096879
C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1Cc2conc2C1	ZINC22_1875396320	347.206	BPPYYPHHKDVOOM-CZUORRHYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096880
C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1Cc2conc2C1	ZINC22_1875396321	347.206	BPPYYPHHKDVOOM-XJKSGUPXSA-N	00100010100000110001100010000000000000000000000000000000	25-01-096881
Brc1ccc(C(=C)NNC(=O)c2n[nH]c3CCCc23)cc1	PC-id_2039494	347.21	QJKHJFATWNQOIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096882
Brc1ccc(/C(=N/NC(=O)c2n[nH]c3CCCc23)/C)cc1	PC-id_9630518	347.21	SCEDALDBQACKAF-RQZCQDPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096883
Brc1cc(C(=NNC(=O)c2n[nH]c3CCCc23)C)ccc1	PC-id_4211459	347.21	AATDTFJMQXXZLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096884
C1Cc2c(C(=O)NN=C(c3ccc(Br)cc3)C)n[nH]c2C1	MCULE-7124774873,PC-id_3672105	347.21	SCEDALDBQACKAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096885
c12CN(Cc1sc(Br)c2C(=O)N)C(=O)OC(C)(C)C	MCULE-8467913119,EMOLS-id_331065636	347.228	FXZQQQOZSVJHEV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096886
Brc1cccc(c1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_9951532,MCULE-4853150926,CoCoCo_4966733,PC-id_603869,ZINC22_218112	347.23	BXCRLEVIOOBIPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096887
Brc1ccccc1C(=O)Nc1sc2CCCc2c1C#N	MCULE-6365389237,ZINC22_501585,CoCoCo_4966726,PC-id_915772,STOCK1S-67261,EMOLS-id_4402344	347.23	XPZUOIDOIVSNPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096888
Brc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_2303380,ZINC22_3076668,MCULE-4574380080,CoCoCo_3268187,EMOLS-id_3036949	347.23	KAEUXUHQMHGQRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096889
BrC1=CC(=CNc2sc3CCCc3c2C#N)C(=O)C=C1	PC-id_5332184	347.23	ZIOGOCJYOOYCKN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-096890
BrC1=C/C(=C/Nc2sc3CCCc3c2C#N)/C(=O)C=C1	PC-id_5403690	347.23	ZIOGOCJYOOYCKN-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-096891
Brc1cc(c(NC(=O)c2sc3CCCc3c2)cc1)C#N	PC-id_82708042	347.23	DDMUKXWYPVFUAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096892
c1(C#N)c2CCCc2sc1N=Cc1cc(Br)ccc1O	ZINC22_245228675,MCULE-9345805109,EMOLS-id_300079132	347.23	BXODHNKFPZENSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096893
N#Cc1ccc(cc1NC(=O)c1sc2c(c1)CCC2)Br	PC-id_104880186	347.23	VQKZBWGYIPEHIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096894
N#Cc1c(/N=C/c2cc(Br)ccc2O)sc2c1CCC2	PC-id_135458684,ZINC22_12363985,EMOLS-id_2061898,CoCoCo_625498,ChemDIV1000-0578	347.23	BXODHNKFPZENSS-QGMBQPNBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096895
N#Cc1c(/N=Cc2cc(Br)ccc2O)sc2c1CCC2	ZINC22_101206632,CoCoCo_625499	347.23	BXODHNKFPZENSS-LSCVHKIXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096896
CC1CCc2c1c(Br)nn2Cc1cccc(OC2CC2)c1	MCULE-1277236092,EMOLS-id_330968571	347.25	KSCIMIFQTYXSED-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096897
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(Br)c12	EMOLS-id_331016104,MCULE-9651601562	347.25	VXKZJARYGDZSLQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-096898
Brc1ccccc1N1CCC(C1)NC1CCn2c1ncc2	EMOLS-id_318079026,MCULE-2169681990	347.253	NUZIKPFFARYURM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096899
Brc1cccc(c1)N1CCC(C1)NC1CCn2c1ncc2	MCULE-3816637782,EMOLS-id_318282636	347.253	GACJXKMNQJAVCH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096900
O=C(NC1CC(C1)(Cl)Cl)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_320240417,MCULE-4154706009	347.26	HUAQGHJSDVVRKC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-096901
c12CN(Cc1sc(Br)c2CNC)C(=O)OC(C)(C)C	MCULE-3612532136,EMOLS-id_331065892	347.271	BYYTWJNSBMTWQL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-096902
CC(C)C1c2c(CN1C(=O)OC(C)(C)C)sc(n2)Br	PC-id_137705773	347.271	GNWLEKDKXLQJHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096903
CC(C)[C@@H]1N(Cc2sc(Br)nc12)C(=O)OC(C)(C)C	EMOLS-id_56974261,PC-id_117688904,SCHEMBL16224727,MCULE-1640095629	347.271	GNWLEKDKXLQJHA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-096904
C1CC(=O)c2cn(cc12)Cc1ccc(cc1)c1noc(n1)C(F)(F)F	SCHEMBL20529827,PC-id_135353249	347.291	DEIUXBHFAAKTHF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096905
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)CC(C)C	EMOLS-id_330967033,MCULE-9975320594	347.293	ZWIPBXZEZVJYQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096906
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)C(C)(C)C	EMOLS-id_330967289,MCULE-4819361257	347.293	CTEJMOJVPBTSOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096907
CC1CCc2c1c(CBr)nn2Cc1cc(C)c(C)cc1C	EMOLS-id_331031302,MCULE-8039215627	347.293	RITFSFGHYMYPGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096908
CC1CCc2c1c(CBr)nn2Cc1c(C)cc(C)cc1C	MCULE-8637380881,EMOLS-id_331031558	347.293	VCBFJXICGAPKOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096909
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(Br)c12	MCULE-5739672428,EMOLS-id_331014822	347.293	OEKQPZMCDGEVQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096910
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(CBr)c12	EMOLS-id_331014320,MCULE-1575002599	347.293	NDQKKSDAJGFJQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096911
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(CBr)c12	MCULE-6053898896,EMOLS-id_331014576	347.293	RKRUVAJOEHCULP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096912
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015345,MCULE-3596447662	347.293	ATFWENLDTAKYMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096913
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331018163,MCULE-5500687240	347.293	CZLQHLDNRLDNGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096914
CCc1ccccc1C(C)n1nc2CCC(C)c2c1CBr	MCULE-4312755136,EMOLS-id_331015605	347.293	AKGWVJAPYVCMNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096915
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015092,MCULE-2277982610	347.293	NFUOGJYASNIYJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096916
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015861,MCULE-3655460421	347.293	HHMQHXNVXZZPRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096917
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1CBr	MCULE-1716644507,EMOLS-id_331015601	347.293	CPCQKRRBMOKNOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096918
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1CBr	MCULE-2572978690,EMOLS-id_331017907	347.293	PJFLCTKMGVLFNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096919
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1Br	MCULE-5562038610,EMOLS-id_331017135	347.293	NVJNTIGYUBNVRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096920
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1Br	MCULE-9471456530,EMOLS-id_331016879	347.293	ADWJKYWMZLJXGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096921
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331014836,MCULE-3747407068	347.293	GACLEGOSJQYTGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096922
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1CBr	MCULE-9260755351,EMOLS-id_331015089	347.293	HQVJMTXLYZFWRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096923
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331017391,MCULE-7359719791	347.293	SYYHGOBCIWQANG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096924
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331017647,MCULE-2669002076	347.293	ZOVWCZAJWCJZHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096925
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1Br	MCULE-7122231323,EMOLS-id_331018658	347.293	OHOAPASQFYHCMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096926
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1CBr	EMOLS-id_331014832,MCULE-4369179916	347.293	NDLFOBFEIPSNOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096927
CC(C)c1ccccc1Cn1nc(CBr)c2C(C)CCc12	MCULE-8206407846,EMOLS-id_331031814	347.293	MNQYZBKHEAVEEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096928
CC(C)c1cccc(Cn2nc3CCC(C)c3c2CBr)c1	EMOLS-id_331017648,MCULE-9074489162	347.293	RVLGFOYVXPQUQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096929
CC(C)c1cccc(Cn2nc(CBr)c3C(C)CCc23)c1	MCULE-6735953116,EMOLS-id_331030535	347.293	QRUWVSYSACVEIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096930
CC(C)c1ccc(Cn2nc3CCC(C)c3c2CBr)cc1	EMOLS-id_331014071,MCULE-9682562179	347.293	OMBSERMYDODTCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096931
CCCc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1	MCULE-5408084303,EMOLS-id_331013815	347.293	TUGBFXHNRYCCNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096932
CC(C)c1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1	MCULE-2361329580,EMOLS-id_331026958	347.293	HBHRQTGLZRUYQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096933
CCCc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1	MCULE-8571028110,EMOLS-id_331026702	347.293	JBUSVNWAHGSZPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096934
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2Br)cc1	MCULE-9830634713,EMOLS-id_331014566	347.293	ABPKFWFKMBBEBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096935
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccc(cc1)OC(F)(F)F	EMOLS-id_318141680	347.313	DTHPNEUZRNLSET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096936
COc1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318116542	347.313	MLRVESXJZNZNBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096937
FC(COc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_316409869,MCULE-2954085407	347.313	JXTZOCOUHFQQBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096938
FC(COc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2)(F)F	EMOLS-id_319724430	347.313	GOTBUIHQLMPLCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096939
FC(Oc1ccc(cc1)CS(=O)(=O)N1Cc2c(C1)cn[nH]2)(F)F	EMOLS-id_319212250	347.313	RJNYMUGPGKKXHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096940
FC(Oc1ccc(cc1)CS(=O)(=O)N1CCn2c1ncc2)(F)F	EMOLS-id_316724467	347.313	VLECQIPYIULHKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096941
FC(Oc1ccc(cc1S(=O)(=O)N1Cc2c(C1)cnn2C)F)F	EMOLS-id_319520978	347.313	GFHJOLHHADVCGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096942
OCC1NCc2c1n(nc2C(F)(F)F)S(=O)(=O)c1ccccc1	SCHEMBL2228980,PC-id_67325992	347.313	BVLFBRSIKQAVTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096943
OCC1NCc2c1n(nc2S(=O)(=O)c1ccccc1)C(F)(F)F	SCHEMBL2228977,PC-id_67325991	347.313	QHQMHZWIHCFXDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096944
FC(c1cc(NC2CCn3c2ncc3)nc(n1)S(=O)(=O)C)(F)F	EMOLS-id_319302478	347.316	OFUXECXUIDXYQY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096945
FC(F)Oc1cccc(c2nnc(NCc3cnn4c3CCC4)o2)c1	EMOLS-id_316920015,MCULE-9588295543,ZINC22_656775228	347.319	MNSHHILOPLCXMS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096946
O=C(C1NCc2c1c[nH]n2)NC1CCN(C1=O)c1c(F)cccc1F	EMOLS-id_318934689	347.319	UPJNAZNOAXTYNX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096947
c12ncnn1C(C(=O)N2)CC(=O)Nc1cc(OC)c(c(OC)c1)OC	PC-id_135629421,EMOLS-id_24578177,STOCK6S-69166,MCULE-6488256565	347.326	NTTFGNKPNUDFKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096948
COc1cc(C(=O)NCc2nnc3n2CCC3)c([N+](=O)[O-])cc1OC	ZINC22_12776759,CoCoCo_4560389,MCULE-9762475760,PC-id_17538473,EMOLS-id_16792105	347.326	NHLZAJRFJXLKNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096949
COc1cc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc(OC)c1OC	ZINC22_20725437,PC-id_135902160	347.326	NTTFGNKPNUDFKX-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096950
COc1cc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc(OC)c1OC	ZINC22_20725439,PC-id_135902161	347.326	NTTFGNKPNUDFKX-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-096951
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nc(n2)C)C)c1ncccn1	PC-id_88983125	347.337	OUJWVVWEPRHCGH-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096952
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nc(n2)C)C)c1nccnc1	PC-id_88983256	347.337	ZRWANNLWLQHQPF-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096953
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nnc2C)C)c1ncccn1	PC-id_88873677	347.337	KEUXIARWOXHLBR-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096954
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nnc2C)C)c1ncncc1	PC-id_88873661	347.337	JVDMWTZPRRALNO-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096955
n12N=C(/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncccn3)/c1nc(n2)C)C	PC-id_58113652	347.337	IOHVVJONPQDMPZ-NDENLUEZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096956
n12N=C(/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncccn3)/c1nnc2C)C	PC-id_58090632	347.337	CNXPZVYCBNQNDR-NDENLUEZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096957
n12N=C(C(=NNc3n(nc(c3[N+]#[C-])C)c3ncccn3)c1nnc2C)C	PC-id_76663855	347.337	CNXPZVYCBNQNDR-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096958
n12N=C(/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncncc3)/c1nnc2C)C	PC-id_58090652	347.337	OZYGKXJYVFFLAD-MOSHPQCFSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096959
n12N=C(C(=NNc3n(nc(c3[N+]#[C-])C)c3ncncc3)c1nnc2C)C	PC-id_76663869	347.337	OZYGKXJYVFFLAD-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096960
n1(nc(c([N+]#[C-])c1N/N=C/1c2n(N=C1C)nc(n2)C)C)c1nccnc1	PC-id_58113696	347.337	OEWFJLRHOLFFLR-MOSHPQCFSA-N	00000011100000100001100010000000000000000000000000000000	25-01-096961
Fc1ccc(cc1)N1CCN(CC1)CC1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479714,SCHEMBL5536921	347.344	KXVWMAJNLQDFJW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096962
Fc1ccc(cc1)N1CCN(CC1)C[C@H]1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479711,SCHEMBL5536915	347.344	KXVWMAJNLQDFJW-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096963
CCOP(=O)(C1CCn2c1ccc2C(=O)c1ccccc1)OCC	PC-id_58701646,SCHEMBL13653086	347.345	MFVBYOLNLQHGKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096964
c1(NC(=O)c2nccnc2C(=O)O)sc2c(CCC2)c1C(=O)OC	ZINC22_32069547,EMOLS-id_27443070,PC-id_39308198,MCULE-7999402369,STOCK6S-75321	347.346	ZZQDIDQPEYMRST-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-096965
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)O	EMOLS-id_190367506,PC-id_117588200,ZINC22_256027924	347.346	JXXMGVOVWONZTB-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-096966
COc1cc(/C=c/sc3ncnn3c2=O)cc(OC)c1OC(=O)C	PC-id_97741309,ZINC22_96935810	347.346	IMOQJXKJHHKETA-WUXMJOGZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-096967
COc1cc(/C=c/2sc3ncnn3c2=O)cc(OC)c1OC(=O)C	ZINC22_9914715,EMOLS-id_45606603	347.346	IMOQJXKJHHKETA-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-096968
COc1c(OC(=O)C)c(OC)cc(C=c2c(=O)n3c(ncn3)s2)c1	EMOLS-id_26226599,MCULE-8119121878	347.346	IMOQJXKJHHKETA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-096969
COC(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)cc([N+](=O)[O-])c1	ZINC22_6228859,EMOLS-id_21277474,PC-id_4251067,MCULE-1543479906,CoCoCo_4164066	347.346	UYZLBURAPANQIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096970
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)O)c2=O	MCULE-5123677080	347.346	JXXMGVOVWONZTB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-096971
S1C(C(=O)n2c1nnc2)C=Cc1cc(OC)c(OCC(=O)O)cc1	PC-id_18891885	347.346	XWMXEOCIKWALFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096972
s1c2CCCc2c(c1NC(=O)Cn1nc(OC)c([N+](=O)[O-])c1)C#N	PC-id_6617340	347.349	VEWQYOGTDSXIKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096973
O=C(c1nn2c(c1)OCC2)NCC1(CCCC1)c1c(F)cccc1F	EMOLS-id_99549671	347.359	BUPCMNSVQLIQTC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096974
O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1cc2n(n1)CCC2	ZINC22_295316311,EMOLS-id_316161063,MCULE-8757373020	347.359	LQEDPARNTSYKDL-DOTOQJQBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096975
Fc1cc(NC(=O)N2CCn3c2ncc3)c(cc1F)N1CCCCC1	MCULE-1131825880,EMOLS-id_320025499	347.362	COKNCJAJRHNDDK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-096976
O=C(NC[C@H]1CCN(c2ccc(F)cc2F)C1)c1cnn2c1NCC2	ZINC22_2325769189	347.362	SUBNDVMEGOARHE-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096977
O=C(NC[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cnn2c1NCC2	ZINC22_2325769190	347.362	SUBNDVMEGOARHE-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-096978
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(Oc2ccccc2)cc1	PC-id_85749621	347.364	KXPHLLIBSSUHHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096979
OC(=O)C1CCn2c1ccc2C(=O)c1cc(Oc2ccccc2)ccc1	PC-id_85749628	347.364	VXGLWOXGELXKOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-096980
S1Cc2c(onc2C1)NC(=O)C1CN(C(=O)C1)c1ccc(F)cc1	PC-id_49719093	347.364	KOIHVKDMWLNSSU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096981
c1(nnc2SCCn12)NC(=O)C1CC(=O)N(c2ccc(cc2)F)C1	MCULE-7393818395,PC-id_22582990,EMOLS-id_16349515	347.367	WHGFSNZUGOHVAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096982
O=C(Nc1nnc2n1CCS2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	CoCoCo_2590556,ZINC22_17156091,PC-id_27549246	347.367	WHGFSNZUGOHVAH-VIFPVBQESA-N	00000010100000110001100010000000000000000000000000000000	25-01-096983
O=C(Nc1nnc2n1CCS2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	CoCoCo_2590557,PC-id_27549249,ZINC22_17156098	347.367	WHGFSNZUGOHVAH-SECBINFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096984
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2c(C)noc2C)n1	MCULE-1116076092	347.369	WLXJOTNFRHOIAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096985
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2c(C)noc2C)n1	EMOLS-id_316335408,MCULE-9300209408	347.369	WLXJOTNFRHOIAF-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-096986
COC(=O)c1c(NC(=O)N2CC(=O)N(C2)CC2CC2)nc2n1CCC2	EMOLS-id_319720624	347.369	HDUVCYNHKPSVBM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-096987
S1C(=CCP(=O)(OCC)OCC)C(OCC)(n2ncnc12)C	PC-id_14062770	347.37	QGXNAFHIZYUKQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096988
NC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)c1ccccc1	PC-id_68439736,SCHEMBL2915778	347.371	SQGFWUSXHJAVMZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-096989
[nH]1nc(c2c1CN(C2)C(=O)c1ccccn1)NC(=O)c1ccc(cc1)C	CHEMBL1169732,PC-id_49798211	347.371	PVNHSVWDSWHGAU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096990
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1)Nc1ccccc1	SCHEMBL2919266,PC-id_68440876	347.371	HSAHFIVVQBDWFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-096991
O=C(Nc1ccc(NC(=O)c2cnn3c2CCC3)nc1)c1ccccc1	ZINC22_1448773843,PC-id_146152477	347.371	LCFFLAPXLIQEAV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096992
O=C(Nc1ccncc1)c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1	ZINC22_101518831,MCULE-8602253020,PC-id_122159586,EMOLS-id_172184456	347.371	VCUIBNNKMALPAF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-096993
COCCNC(=O)c1cnc2CCC(CNC(=O)c3ncn(C)n3)n12	EMOLS-id_313762241	347.372	XTMSHLNZHCEVLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096994
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1ncn(C)n1)CC2	ZINC22_1565552506	347.372	XTMSHLNZHCEVLO-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-096995
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1ncn(C)n1)CC2	ZINC22_1614939727	347.372	XTMSHLNZHCEVLO-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-096996
n12ncnc1sc(=CN1C(C(=O)O)CC(=N1)c1cccs1)c2=O	MCULE-7105807171	347.372	GZEPWPJHEIUIDS-UHFFFAOYSA-N	00000011100100000001100010000000000000000000000000000000	25-01-096997
OC(=O)C1CC(=NN1/C=c/1sc2ncnn2c1=O)c1cccs1	PC-id_117588158,EMOLS-id_190367026	347.372	GZEPWPJHEIUIDS-YHYXMXQVSA-N	00000011100100000001100010000000000000000000000000000000	25-01-096998
O=C(O)[C@@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1cccs1	ZINC22_256027860	347.372	GZEPWPJHEIUIDS-AMAGOZFHSA-N	00000011100100000001100010000000000000000000000000000000	25-01-096999
O=C(O)[C@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1cccs1	ZINC22_256027861	347.372	GZEPWPJHEIUIDS-VUMIPSPVSA-N	00000011100100000001100010000000000000000000000000000000	25-01-097000
c12CN(Cc1nn(CC(C)C)c2C(=O)OC(C)(C)C)CC(F)(F)F	EMOLS-id_324348258,MCULE-6483704572	347.376	UJXJRLGMXWKDNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097001
c1(ccc(O)cc1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8992888896,EMOLS-id_327793374	347.386	ZINGYMMXIQXOMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097002
c1(cc(O)cc(O)c1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328013478,MCULE-5581531543	347.386	PBJLWMJFVPYNIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097003
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)O	PC-id_28860216,EMOLS-id_179129453,MCULE-7385158453	347.386	CYIJTZBMBMSUCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097004
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129461,PC-id_28860220,MCULE-6531395142	347.386	IMRNCPXPQIJWGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097005
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)O	PC-id_28860210,EMOLS-id_179129447,MCULE-4464014770	347.386	HJPZDVLJIVVQGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097006
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129517,MCULE-7377450488,PC-id_28860272	347.386	FGBLWPXGFBEUOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097007
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)O	MCULE-9396727771,PC-id_28860277,EMOLS-id_179129523	347.386	BRHSICRKFMZFJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097008
C=CCS(=O)c1cc2n(c1C(=O)c1ccco1)CCC2(C)C(=O)O	PC-id_70450614,SCHEMBL10817951	347.386	UORDCBMYINGCBI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097009
C=CCS(=O)c1cc2n(c1C(=O)c1ccco1)CCC2C(=O)OC	PC-id_70450612,SCHEMBL10817949	347.386	FAWZWQOHYHAONA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097010
C=CCS(=O)c1cc2n(c1C(=O)c1cocc1)CCC2C(=O)OC	PC-id_70450684,SCHEMBL10818160	347.386	LECGWSACDCTMAH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097011
CCS(=O)(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_23333081,SCHEMBL11437480	347.386	UUXVHHVRSJVOMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097012
CCS(=O)(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_23333116,SCHEMBL11437474	347.386	NSDDFPZYOSUERJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097013
CCS(=O)(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	PC-id_70585896,SCHEMBL11437476	347.386	BSEYGQHYLMHMIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097014
COc1cc(cc(c1OC)NC(=O)c1sc2c(c1)CCC2)C(=O)O	EMOLS-id_52151881,MCULE-5803038755,PC-id_119214182	347.386	LUWWKYMHNZKKFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097015
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)C	PC-id_23333151,SCHEMBL11437719	347.386	YKBYLOLCPFHUCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097016
COC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)S(=O)(=O)C	PC-id_70450083,SCHEMBL10816211	347.386	FDMNZIRTOQFZMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097017
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C	SCHEMBL11436273,PC-id_70585711	347.386	LERCCAUBSYKLKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097018
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C	SCHEMBL11441798,PC-id_23333079	347.386	GBFVHKRLJWMGOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097019
COC(=O)C1(CCn2c1ccc2C(=O)c1scc(c1)C)C(=O)OC	SCHEMBL11061967,PC-id_20454745	347.386	NNJXHJXGYOJSQM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097020
COC(=O)C1(CCn2c1ccc2S(=O)(=O)C)C(=O)c1ccccc1	PC-id_70587406,SCHEMBL11444491	347.386	SDJINRPPKGXGJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097021
CSc1cc2n(c1C(=O)c1ccc(cc1)OC)CCC2OC(=O)O	PC-id_70448867,SCHEMBL10810712	347.386	CSOFTXPROPJHHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097022
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C)S(=O)(=O)C	PC-id_20235107,SCHEMBL10816021	347.386	HYRUCZRQPIBKKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097023
CC(C)Oc1ccc(NC(=O)NCCc2nnc3n2CCC3)c(F)c1	MCULE-9381127716,PC-id_71977320,ZINC22_96454965,EMOLS-id_49093174	347.387	IFMRJPPQTGLKDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097024
CCOc1ccc(CNC(=O)NCCc2nnc3n2CCC3)cc1F	MCULE-9258645706,EMOLS-id_48254505,ZINC22_86394338,PC-id_75378339	347.387	IPEPJCQKLKSDNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097025
C[C@@](O)(CNC(=O)NCCc1nnc2n1CCC2)c1ccc(F)cc1	ZINC22_95443426,PC-id_97246301	347.387	DAAARHPVLDKDPV-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097026
C[C@](O)(CNC(=O)NCCc1nnc2n1CCC2)c1ccc(F)cc1	ZINC22_95443427,PC-id_97246302	347.387	DAAARHPVLDKDPV-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097027
Fc1ccc(C(O)(CNC(=O)NCCc2n3CCCc3nn2)C)cc1	EMOLS-id_49122164,MCULE-4478432171,PC-id_84590657	347.387	DAAARHPVLDKDPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097028
c12c(CCC1C(=O)OCC)sc(NC(=O)c1cc(on1)C1CC1)n2	MCULE-5868720867,PC-id_45504245,EMOLS-id_30149653	347.389	KHJIPAHXWMSBSH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-097029
c1(NC(=O)c2ccc(cc2)OC(=O)OCC)n(C)nc2CSCc12	MCULE-4369861129,EMOLS-id_334561716	347.389	FIRZYODTOZPTCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097030
c1(NC(=O)NN=Cc2ccco2)sc2c(CCC2)c1C(=O)OCC	PC-id_19168807,MCULE-2883057611	347.389	VQOQVWCGTBJYHQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097031
C=Cc1ccc(S(=O)(=O)Nc2nc3n(c2C(=O)OC)CCC3)cc1	EMOLS-id_317006126,ZINC22_1616030962,PC-id_136573722,MCULE-8968646743	347.389	BFYBVNMSJDGNND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097032
CCc1nc2s/c(=Cc3cc(OC)c(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324841703	347.389	HPPANVSOUMJPII-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097033
CCOc1cc(/C=c/2sc3nc(COC)nn3c2=O)ccc1OC	EMOLS-id_324900357	347.389	HYZYBBRWTDFYQI-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097034
CCOc1ccc(/C=c/2sc3nc(COC)nn3c2=O)cc1OC	EMOLS-id_324899334	347.389	HIVHAERGWVXQFL-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097035
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cc(C4CC4)on3)nc12	PC-id_51894275,ZINC22_38489036	347.389	KHJIPAHXWMSBSH-SECBINFHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-097036
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cc(C4CC4)on3)nc12	ZINC22_38489038,PC-id_51894276	347.389	KHJIPAHXWMSBSH-VIFPVBQESA-N	00100010100000000001100010000000000000000000000000000000	25-01-097037
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)COC	MCULE-7076167818	347.389	HIVHAERGWVXQFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097038
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC)c2=O)COC	MCULE-9578186221	347.389	HYZYBBRWTDFYQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097039
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)CC	MCULE-8081638259	347.389	HPPANVSOUMJPII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097040
NC(=O)c1c(NC(=O)CCNC(=O)c2ccco2)sc2c1CCC2	ZINC22_7007110,MCULE-5731957717,EMOLS-id_3486037,CoCoCo_3218554,PC-id_8151527	347.389	IYWVCAWJUILPGG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097041
O=C(c1ccc(nc1)OC1CCOCC1)Nc1onc2c1CSC2	PC-id_92084683	347.389	AYWWBNSEDPJHCD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-097042
OCCOCCNC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	PC-id_22976043,SCHEMBL7149726	347.389	HDFVVRBMRSOGQO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-097043
OCCOCCNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7149715	347.389	HDFVVRBMRSOGQO-FLIBITNWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-097044
OCCOCCNC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	SCHEMBL7149723,PC-id_18626992	347.389	HDFVVRBMRSOGQO-DHZHZOJOSA-N	00000010110000000000000010000000000000000000000000000000	25-01-097045
s1c2CCCc2cc1C(=O)NNC(=O)CCNC(=O)c1ccoc1	PC-id_39907205	347.389	ICNWVHHOINJQGX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097046
s1c2CCCc2cc1C(=O)NNC(=O)C(NC(=O)c1occc1)C	PC-id_24664595	347.389	UHXNDVXRPPEQOO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097047
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1[nH]ccc1)C)C(=O)N	PC-id_9310805	347.389	BSHMCUUJYPKRAT-QMMMGPOBSA-N	00000010110000000000000010000000000000000000000000000000	25-01-097048
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1[nH]ccc1)C)C(=O)N	PC-id_9310806	347.389	BSHMCUUJYPKRAT-MRVPVSSYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-097049
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1n(ccc1)C)C(=O)N	PC-id_3525297	347.389	LEGJNINHYQEHFU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-097050
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1[nH]ccc1)C)C(=O)N	PC-id_84977139	347.389	BSHMCUUJYPKRAT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-097051
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N	PC-id_16948103	347.389	GFEQKQRFDBCQMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097052
s1c2CCC(c2nc1NC(=O)c1c(OC)nccc1)C(=O)OCC	PC-id_49712270	347.389	QTFQOQOGFACDAI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-097053
S1C(C(=O)n2c1nnc2C)C=Cc1cc(OC)c(OC)c(OC)c1	PC-id_18891900	347.389	LOTJPROQSYWDJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097054
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)C=Cc1ccccc1	MCULE-6028650005	347.39	LOYNSYHGPCABMD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097055
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)C=Cc1ccccc1	MCULE-7963740077	347.39	BAVUIZRZQJNMKT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097056
Oc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_324918279	347.39	LOYNSYHGPCABMD-NJAVVXAXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097057
Oc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_324917001	347.39	BAVUIZRZQJNMKT-KDNHCMJDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097058
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1cscn1	EMOLS-id_207863340,MCULE-5975384071	347.392	LCBITWCIJKLYNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097059
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N(C)C)n(C)nc2CSCc12	EMOLS-id_334567856,MCULE-6166536381	347.392	XJFCXTFPVRVRIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097060
Cn1nc(c2c1CN(C2)S(=O)(=O)c1cccnc1)C(=O)NC1CC1	EMOLS-id_207862884,MCULE-5179016573	347.392	BEGCKLMXQWNHPR-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-097061
O=C1CCCN1c1ccc(nc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700027	347.392	USSMOCGLUNWTGN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-097062
O=C1NCCN1c1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100963917	347.392	FZCFCCJTNLFZIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097063
O=C1NCCN1c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970749	347.392	KLYFACAENBOMIA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097064
O=C(C1CC1)Nc1ccc(cn1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100477428	347.392	VLJXMNNSPYRESY-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-097065
s1c2[n+](C(C(=C)N2)C(=S)NC(=O)c2cc([N+](=O)[O-])ccc2)cc1	PC-id_78272535	347.392	XUUMEPSNBQLULU-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-097066
s1c2[n+](C(C(=N2)C)C(=S)NC(=O)c2cc([N+](=O)[O-])ccc2)cc1	PC-id_75647567	347.392	BUEHJAUGZBUNPQ-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-097067
s1c2[n+]([C@@H](C(=C)N2)C(=S)NC(=O)c2cc([N+](=O)[O-])ccc2)cc1	PC-id_2421104	347.392	XUUMEPSNBQLULU-NSHDSACASA-O	00000010100000110001000010000000000000000000000000000000	25-01-097068
s1c2[n+]([C@@H](C(=N2)C)C(=S)NC(=O)c2cc([N+](=O)[O-])ccc2)cc1	PC-id_51423030	347.392	BUEHJAUGZBUNPQ-NSHDSACASA-O	00000011100000110001000010000000000000000000000000000000	25-01-097069
s1c(N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C(=O)OC)nc(c1)C	PC-id_59696894	347.395	OEJPQZNMYSAXCP-MFOYZWKCSA-N	00000011100000000001000010000000000000000000000000000000	25-01-097070
s1c(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C(=O)OC)nc(c1)C	PC-id_71098860	347.395	OEJPQZNMYSAXCP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-097071
O=C(C1CCCN(C1)Cc1sc2c(n1)CCC2)NCC(F)(F)F	PC-id_75497427,MCULE-9283635098,EMOLS-id_49298903	347.399	IGOXFLBTFGFZCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097072
O=C(c1sc2c(c1)CCC2)NCC(C(F)(F)F)N1CCNCC1	EMOLS-id_302780680,MCULE-3222698474,PC-id_120813441	347.399	MPAXCIVDNOGIKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097073
O=C(NCC(F)(F)F)[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1	PC-id_97794847,ZINC22_97033977	347.399	IGOXFLBTFGFZCI-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097074
O=C(NCC(F)(F)F)[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1	ZINC22_97033976,PC-id_97794846	347.399	IGOXFLBTFGFZCI-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-097075
c12CCCc1c(C(=O)OCC)c(NC(=O)Cc1ccc(F)cc1)s2	MCULE-3811382902,EMOLS-id_25507812,PC-id_7597201	347.404	ZJDRDCIFIQOYMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097076
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)OCCC	TIMTEC240137,EMOLS-id_4025904,PC-id_3249819,MCULE-4691442640,ZINC22_2763182,CoCoCo_6815805	347.404	JJVVRZIIRCTHDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097077
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)F)sc2c1CCC2	PC-id_110825385	347.404	LKBIJQXEIOFFKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097078
CCOC(=O)c1c(NC(=O)c2ccc(C)c(F)c2)sc2CCCc12	EMOLS-id_327893442,MCULE-7047181944	347.404	JHZDVNREBLXRJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097079
CCOC(=O)c1c(NC(=O)Cc2ccccc2F)sc2CCCc12	EMOLS-id_327962162,MCULE-3080469928	347.404	OKOWYTLVEOYOKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097080
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc(F)c(cc1)C)C	PC-id_78674848	347.404	YPTFVZUZJILWHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097081
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1ccc(F)cc1)C	PC-id_45637968	347.404	VYVOSEFCVVNOCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097082
s1c2CCCc2cc1C(=O)OC(C(=O)NCc1ccc(F)cc1)C	PC-id_78674852	347.404	OJWLNAWAUYGNSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097083
s1c2CCCc2cc1C(=O)OCC(=O)NCc1cc(F)c(cc1)C	PC-id_24567544	347.404	XMYSHPVSHKKCBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097084
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1cc(F)ccc1)C	PC-id_45637966	347.404	BSQQRTHJVPUXSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097085
s1c2CCCc2cc1C(=O)OCC(=O)NCCc1ccc(F)cc1	PC-id_3674629	347.404	LMQJPMPISVWWQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097086
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(F)c(cc1)C)C	PC-id_8359217	347.404	YPTFVZUZJILWHF-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097087
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(F)c(cc1)C)C	PC-id_8359220	347.404	YPTFVZUZJILWHF-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-097088
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCc1ccc(F)cc1)C	PC-id_8359237	347.404	OJWLNAWAUYGNSH-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-097089
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCc1ccc(F)cc1)C	PC-id_8359242	347.404	OJWLNAWAUYGNSH-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097090
CCc1ncc(cc1NC(=O)CNC(=O)c1sc2c(c1)CCC2)F	MCULE-4791401875,EMOLS-id_320024307	347.407	CHWIBKYDUBQIDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097091
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1ccc(cc1)O	PC-id_59180093,SCHEMBL1004674	347.407	GWDUKTMWKWYZCJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-097092
Fc1cccc2c1C1(CCC1)CN2S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100197297	347.407	MXGBUXOHYYQOOI-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-097093
OCc1ccc(cc1)c1cccc(c1)CC1CCc2c1cc([nH]2)C(=O)O	SCHEMBL1006707,PC-id_59180052	347.407	IKRGUMJYYZWYHP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-097094
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCCC	PC-id_16947200	347.407	PPCCHFNTIJPXLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097095
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NC(C)C	PC-id_16947201	347.407	WQTQCPMYMHPOTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097096
COC1(C)n2n(C(C1(C)Cc1ccccc1)(C)OC)c(=O)n(c2=O)C	PC-id_101986883	347.409	RUASRZYWWKUAEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097097
O=C(N1CCOCC1)NC1CCN(CC1)C(=O)c1occ2c1CCC2	MCULE-6714636920,EMOLS-id_319832819	347.409	DOTIXIJEGOUXPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097098
s1c2c(CCC2)c(c1NC(=O)C[n+]1cc(O)ccc1)C(=O)OCC	PC-id_8773413	347.409	RHDUIOMQMFFJQS-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-097099
c1(C(=O)Nc2ccc(cc2)OCc2ccccc2)c2CCCc2n(C)n1	EMOLS-id_320479759,MCULE-2004500743,PC-id_84466415	347.41	FETKOFUUOUGEQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097100
c1(C(=O)Nc2cccc(c2)OCc2ccccc2C)c2CCCc2[nH]n1	EMOLS-id_335110543,MCULE-2765195518	347.41	MITDPPIGZRSZPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097101
c1(C(=O)Nc2cccc(c2)OCc2ccc(cc2)C)c2CCCc2[nH]n1	MCULE-6785616297,EMOLS-id_335149688	347.41	NIZMRMBZMBZEIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097102
c1(C(=O)Nc2cccc(c2)OCc2cccc(C)c2)c2CCCc2[nH]n1	EMOLS-id_335101571,MCULE-7412054672	347.41	FXPAAPCJPJFQHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097103
O=C(C1CCCCS1(=O)=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481222	347.41	OKSDHXOICPJSAR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097104
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1ccc(OC)cc1	PC-id_10269180	347.41	YMEZWXZFOCEZHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097105
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1cc(OC)ccc1	PC-id_10269179	347.41	LTYQGQZNSNIDGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097106
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1c(OC)cccc1	PC-id_9902858	347.41	FZMJWXSGAWWLMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097107
O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc2n(n1)CCC2	ZINC22_2325824959	347.41	XGNJPXFJGKNULL-VQTJNVASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097108
O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1n[nH]c2c1CCC2	ZINC22_811546149,PC-id_139003865,MCULE-5963329354,EMOLS-id_320372001	347.41	LOMKMWKBJXECKB-AZUAARDMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097109
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)NCC1CCCO1	MCULE-8644052974,EMOLS-id_207863031	347.412	SZUMBVGPZSFILA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097110
c1(C(=O)NC2CCN(CC2)C(=O)N2CCOCC2)c2CCCc2[nH]n1	PC-id_77095676,ZINC22_216325581,MCULE-7568213688,EMOLS-id_49896163	347.412	BBPRGCNRTSGANP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097111
COC(=O)c1c(NC(=O)N2CCC3N(C(C2)CC3)C)nc2n1CCC2	EMOLS-id_319447838	347.412	OOTOQEZUJOLNCI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097112
COC(=O)c1c(NC(=O)N2CCC(C2)N2CCCC2)nc2n1CCC2	EMOLS-id_319522258	347.412	ZSOXKJCHUFLZFS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097113
COC(=O)c1c(NC(=O)N2CCN(CC2)C2CCC2)nc2n1CCC2	EMOLS-id_319632083	347.412	VOPUPYDYACVTHR-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-097114
COC(=O)c1c(NC(=O)N2CCN(CC2)CC2CC2)nc2n1CCC2	EMOLS-id_319125130	347.412	ARZLLMJBNYEYPI-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-097115
COC(=O)c1c(NC(=O)NC2CCN(CC2)C2CC2)nc2n1CCC2	EMOLS-id_319141409	347.412	ULVGVJJHIWFDMM-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-097116
N#Cc1ccccc1S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_16730548,PC-id_17518778,MCULE-2493410025,CoCoCo_3532715	347.412	ZNZVLGUJSCXPMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097117
N#Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-4513005632,PC-id_8474148,EMOLS-id_16731128,CoCoCo_3532713	347.412	JAIJLYLGNRLYDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097118
O=C(N1CCN(CC1)C(=O)C1CCCO1)NC1CC(n2c1ncc2)C	EMOLS-id_319798844	347.412	VDRHRGWWPWZULG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097119
O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)CN1CCOCC1	EMOLS-id_110449014	347.412	MDBKITRMSNDJBF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097120
O=C(N1CCOCC1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110544931	347.412	KUZBIIIYPIVFQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097121
O=C(NCC(c1cc(oc1C)C)(O)C)NCCc1nnc2n1CCC2	PC-id_112045994	347.412	XGJQYRRVFFZWRE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-097122
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C#N	PC-id_8474146	347.412	LHYZFBPXQHXYQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097123
Cc1ccc(N(Cc2ccccc2)C(=O)c2c3c(nn2C)CCC3)nn1	PC-id_146141524,ZINC22_1875272530	347.414	SJSJSLDVGQQIHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097124
CC[C@H](n1ncc(c1)NC(=O)c1n[nH]c2c1C(=C)CC2)c1ccccc1	SCHEMBL16789899,PC-id_118136293	347.414	WESCBSHIIOIXSU-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097125
O=C(c1cccc(c1)NC1CC(n2c1ncn2)C)NCc1ccccc1	EMOLS-id_319326358	347.414	QGICZTZUPUXTIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097126
O=C(c1ccccc1NCc1cccnc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319737095	347.414	KPOFXIDKGQNDHW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097127
O=C(NCc1n2CCCc2nn1)Nc1c(Cc2ccccc2)cccc1	PC-id_60446546	347.414	QUJLBWUKMHZWTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097128
C1Cc2c(C1)sc(c2C#N)NC(=O)CSc1nc(cc(=O)[nH]1)N	PC-id_135439366	347.415	USAKJOURVXVQEN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-097129
c1(NC(=O)CSc2nnc(c(=O)[nH]2)C)sc2c(CCC2)c1C#N	PC-id_136069764,EMOLS-id_322524016,MCULE-5605068049	347.415	OIZSXNOBIPQOMA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-097130
C[C@@H](NC(=O)c1nnc(c2ccns2)o1)c1nc2c(s1)CCC2	ZINC22_1875272456	347.415	WSKQHYIUWABPLF-SSDOTTSWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097131
C[C@H](NC(=O)c1nnc(c2ccns2)o1)c1nc2c(s1)CCC2	ZINC22_1875272457	347.415	WSKQHYIUWABPLF-ZETCQYMHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097132
COCc1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324900354	347.415	GKQBQVZWPOEZMP-WMZJFQQLSA-N	00000000100000000001000110000000000000000000000000000000	25-01-097133
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COC	MCULE-9600603198	347.415	GKQBQVZWPOEZMP-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-097134
N#Cc1c(NC(=O)c2cnc(s2)C2CCCO2)nc2n1CCS2	EMOLS-id_98173933	347.415	CAMAWQAYDUQXCV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097135
N#Cc1c(NC(=O)c2csc(n2)C2CCCO2)nc2n1CCS2	EMOLS-id_98086054	347.415	IUIYJMSQQCDZRG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097136
O=C(NC1CC1)NC1CCN(C1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_99584255	347.415	UITVBSPSYOFEOJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-097137
c1(C(=O)OCC)c2CCCc2sc1NCc1cc(OC)ccc1O	BAS-06105382,STOCK3S-78873,PC-id_899182,EMOLS-id_1476597,CoCoCo_345362,ZINC22_477236,MCULE-8100269113	347.429	WCOMZBAGLWPPEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097138
CC1(CC(=C(C(=O)C1)/C=N/c1c(c2c(s1)CCC2)C(=O)OC)O)C	PC-id_136227732	347.429	KCOWKSOLORJLJE-DJKKODMXSA-N	00000010100011000000000010000000000000000000000000000000	25-01-097139
CC1(CC(=C(C(=O)C1)C=Nc1c(c2c(s1)CCC2)C(=O)OC)O)C	PC-id_136914722	347.429	KCOWKSOLORJLJE-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-097140
C(=C
/CCC(=O)CC1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-9942139179,EMOLS-id_328158098	347.429	VOMONBICDYXLSC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097141
COc1ccc(c(c1OC)OC)CNC(=O)c1sc2c(c1)CCC2	PC-id_86926425	347.429	CRHMCYHMRFBVNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097142
COc1cc(OC)c(cc1CNC(=O)c1sc2c(c1)CCC2)OC	PC-id_8891176,CoCoCo_3948517	347.429	LGNMLGSTOUWACN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097143
COC(=O)c1c(NC=C2C(=O)CC(C)(C)CC2=O)sc2c1CCC2	ZINC22_102401201,MCULE-3253933838,EMOLS-id_45632508,PC-id_36004286	347.429	LIQNTYFVWIRNES-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097144
O=C(c1cc2c(s1)CCC2)N1CCOC[C@H]1C[C@@H](O)c1ccco1	PC-id_97078708,ZINC22_89794411	347.429	NPOJFJMEDWEXNO-ZIAGYGMSSA-N	00000010101010000001000010000000000000000000000000000000	25-01-097145
O=C(c1cc2c(s1)CCC2)N1CCOC[C@H]1C[C@H](O)c1ccco1	ZINC22_89794412,PC-id_97078709	347.429	NPOJFJMEDWEXNO-KGLIPLIRSA-N	00000010101010000001000010000000000000000000000000000000	25-01-097146
O=C(c1cc2c(s1)CCC2)N1CCOC[C@@H]1C[C@@H](O)c1ccco1	ZINC22_89794413,PC-id_97078710	347.429	NPOJFJMEDWEXNO-UONOGXRCSA-N	00000010101010000001000010000000000000000000000000000000	25-01-097147
O=C(c1cc2c(s1)CCC2)N1CCOC[C@@H]1C[C@H](O)c1ccco1	ZINC22_89794414,PC-id_97078711	347.429	NPOJFJMEDWEXNO-KBPBESRZSA-N	00000010101010000001000010000000000000000000000000000000	25-01-097148
OC(c1ccco1)CC1COCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_45675381,MCULE-9168741448,PC-id_71916604	347.429	NPOJFJMEDWEXNO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-097149
s1c2CCCc2cc1C(=O)NCc1cc(OC)c(OC)c(OC)c1	PC-id_9483311	347.429	IIDCFCJTOLWGMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097150
OC(=O)C1CCn2c1ccc2C(=S)c1ccc(cc1)c1ccccc1	PC-id_139746950	347.43	GFSOSVPWXSWUFP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-097151
c1(c(C)cc(n(CCOC)c1=O)C)C(=O)Nc1sc2c(CCC2)n1	STOCK7S-54290,PC-id_110204924,MCULE-7231234033,EMOLS-id_55726460,ZINC22_253408940	347.432	LFRGSFREOJDBFL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-097152
c1(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)c2CCCc2[nH]n1	PC-id_91787473,EMOLS-id_55681371,ZINC22_222866594,MCULE-1758050785	347.432	NMHGWCSECMNNSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097153
c1(NC(=O)c2ccccc2C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_425786,MCULE-5090122730,ChEMBL-DNDi_CHEMBLF0541-0022,CoCoCo_4982157,PC-id_866434,EMOLS-id_5438317	347.432	NRBXTAHGLNOBJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097154
c1(NC(=O)c2ccc(c(OCC)c2)OCC)n(C)nc2CSCc12	EMOLS-id_316211480,PC-id_134713578,ZINC22_1529195928,MCULE-8175536583	347.432	QYLVACGMEIZAEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097155
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)n(C)nc2CCCc12	ZINC22_38510646,MCULE-6144613116,PC-id_45536357,EMOLS-id_43484301	347.432	VTCCHHNFBROBDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097156
c1(NC(=O)CCCOc2ccc(cc2)OC)n(C)nc2CSCc12	EMOLS-id_334564285,MCULE-2345607575	347.432	LOTHMUKXRBXLQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097157
c1(NC(=O)CCCS(=O)(=O)c2ccccc2)n(C)nc2CCCc12	ZINC22_38510634,PC-id_45536345,EMOLS-id_43484299,MCULE-4112819793	347.432	NUFZSXBIFYFGMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097158
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)C)n(C)nc2CCCc12	MCULE-8560083220,EMOLS-id_43484297,PC-id_45536330,ZINC22_38510619	347.432	WVZSPXSVCUZJAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097159
c1(NC(=O)COc2ccccc2)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160296,MCULE-9737531189,EMOLS-id_5442683	347.432	CQFHXLYBLHAXTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097160
Cc1cccc(c1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0541-0023,PC-id_866435,CoCoCo_2666474	347.432	RRXAWLUQHYVPDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097161
Cc1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	CoCoCo_2666475,ChEMBL-DNDi_CHEMBLF0541-0024,PC-id_866436	347.432	OMGALWBOLBFXDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097162
Cc1ccc(CN(C)CC(=O)Nc2sc3c(c2C(=O)N)CCC3)o1	EMOLS-id_43418530,CoCoCo_3584251,CoCoCo_3584252,PC-id_9103667,MCULE-2480918410,ZINC22_7976162	347.432	DHWVRCODMOPKKH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097163
Cc1ccc(CNC(=O)c2cc3c(s2)CCN3C(=O)CN(C)C)o1	PC-id_97407180,ZINC22_96087928,EMOLS-id_46185153	347.432	LVQDGLFXCRVYBQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097164
O=C(c1cccc(c1)S(=O)(=O)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319272304	347.432	BIBAJBJTMPLYCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097205
Cc1oc(CCC(=O)N(C)C)cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_56672163,CHEMBL1821916	347.432	GBRUHXCPVBLMAH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-097165
CC1OCC(N(C1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_100223467	347.432	LMQGEHGQVOSJMT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-097166
CCc1ccc(cc1C(=O)NCc1cnc2n1CCC2)S(=O)(=O)C	EMOLS-id_320240437,MCULE-3633756997	347.432	IJFAXMHWBPIKSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097167
CC(c1nnc(o1)C1COCCN1C(=O)c1sc2c(c1)CCC2)C	MCULE-9033006794,EMOLS-id_316014898	347.432	HSDTVNHKYIQDPW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097168
CC(c1nnc(o1)C1OCCN(C1)C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_316079842,MCULE-4704392707	347.432	WGTKJPCDSKWXPI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097169
CC(c1onc(n1)C1COCCN1C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_99091744	347.432	ZFXMOPHEDVFJMQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097170
CC(C)c1nnc([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)o1	ZINC22_275492753	347.432	WGTKJPCDSKWXPI-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097171
CC(C)c1nnc([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)o1	ZINC22_275492756	347.432	WGTKJPCDSKWXPI-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097172
CC(C)c1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CCC3)o1	ZINC22_275302972	347.432	HSDTVNHKYIQDPW-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097173
CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cc3c(s2)CCC3)o1	ZINC22_275302978	347.432	HSDTVNHKYIQDPW-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097174
CC(C)[C@@H](c1ccccc1)S(=O)(=O)NC(=O)c1cn2c(n1)CCC2	ZINC22_1615045789	347.432	CAFYAYGHYSWYPJ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097175
CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)c1cn2c(n1)CCC2	ZINC22_1615045790	347.432	CAFYAYGHYSWYPJ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097176
CC(C)(C)n1nc2c(c1NC(=O)COc1ccccc1)C[S@](=O)C2	CoCoCo_4985149,ZINC22_4105971,PC-id_11863832	347.432	CQFHXLYBLHAXTR-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097177
CC(C)(C)n1nc2c(c1NC(=O)COc1ccccc1)C[S@@](=O)C2	ZINC22_2724929,CoCoCo_4985150,PC-id_11877684	347.432	CQFHXLYBLHAXTR-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-097178
CC(C)(C)n1nc2CS(=O)(=O)Cc2c1NC(=O)Cc1ccccc1	BindingDB-id_196768,CoCoCo_4982172,BindingDB_PC-id_3373386,PC-id_3373386,CHEMBL1557991,ChEMBL-DNDi_CHEMBL1557991	347.432	WWBQLEUWORNSTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097179
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(Cc1ccco1)C	PC-id_16386860,EMOLS-id_11858222,MCULE-7038056255	347.432	FYBZAGOPQMJXFV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097180
CC(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1c2CCCc2nn1C	ZINC22_38510640,MCULE-5055883494,EMOLS-id_44501914,PC-id_45536351	347.432	XEHUPHWFYYMQQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097181
CC(C(S(=O)(=O)NC(=O)c1cn2c(n1)CCC2)c1ccccc1)C	EMOLS-id_316897702,MCULE-9376871663	347.432	CAFYAYGHYSWYPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097182
C[C@H](c1ccc(S(=O)(=O)C)cc1)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_573922452	347.432	GXKULJBGCBWKFQ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097183
C[C@@H](c1ccc(S(=O)(=O)C)cc1)N(C)C(=O)c1cn2c(n1)CCC2	ZINC22_573922455	347.432	GXKULJBGCBWKFQ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097184
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccco1	CoCoCo_4229104,ZINC22_9515547,CoCoCo_4229105,PC-id_41104666	347.432	FYBZAGOPQMJXFV-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097185
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccco1	PC-id_41104664,CoCoCo_4229102,ZINC22_9515545,CoCoCo_4229103	347.432	FYBZAGOPQMJXFV-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-097186
CCOC(=O)c1cc(n(c1C)CC(=O)Nc1sc2c(n1)CCC2)C	CoCoCo_4164342,PC-id_33040473,EMOLS-id_29666012,MCULE-2625406070	347.432	CYGINRWRPQCNJL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-097187
Cn1ncc2c1CN(C2)S(=O)(=O)c1ccc(cc1)OC1CCCC1	MCULE-1637356896,EMOLS-id_320018638	347.432	LKEWRPQIOQPVOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097188
CN(C(=O)c1cn2c(n1)CCC2)C(c1ccc(cc1)S(=O)(=O)C)C	MCULE-5527112468,EMOLS-id_316903855	347.432	GXKULJBGCBWKFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097189
COc1ccccc1C(=O)Nc1c2C[S@](=O)Cc2nn1C(C)(C)C	CoCoCo_2010866	347.432	GSYQVGFDHHJVFS-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097190
COc1cccc(c1)C(=O)Nc1c2C[S@](=O)Cc2nn1C(C)(C)C	CoCoCo_4985337,PC-id_40514532	347.432	PQUZBDBLPHFHSI-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097191
COc1cccc(c1)C(=O)Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C	CoCoCo_4985338,PC-id_40768439	347.432	PQUZBDBLPHFHSI-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-097192
COc1ccc(cc1)C(=O)Nc1c2C[S@](=O)Cc2nn1C(C)(C)C	CoCoCo_4985353,PC-id_40514533	347.432	CKIMXDAJDMJWSZ-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097193
COc1ccc(cc1)C(=O)Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C	CoCoCo_4985354,PC-id_40768440	347.432	CKIMXDAJDMJWSZ-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-097194
COc1ccccc1C(=O)Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C	PC-id_11859862,CoCoCo_2010867	347.432	GSYQVGFDHHJVFS-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-097195
COc1cccc(c1)C(=O)Nc1c2CS(=O)Cc2nn1C(C)(C)C	PC-id_756303,ChEMBL-DNDi_CHEMBLF0561-0478	347.432	PQUZBDBLPHFHSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097196
COc1ccc(cc1)C(=O)Nc1c2CS(=O)Cc2nn1C(C)(C)C	PC-id_756304,ChEMBL-DNDi_CHEMBLF0561-0487	347.432	CKIMXDAJDMJWSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097197
COC(=O)C1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC22_3449693,MCULE-7463653450,EMOLS-id_11333608,PC-id_2569947,CHEMBL1520405,CoCoCo_3573596,ChEMBL-DNDi_CHEMBL1520405,CoCoCo_3573597	347.432	QGJVCAREGYTPTN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097198
Oc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100174379	347.432	QCWUXMGTEVKXPL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-097199
O=C1NC(=O)C(N1)(C)CC1CCCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_98789858	347.432	HQVGUNYOCJPETE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097200
O=C(c1cc(cc(c1C)C)S(=O)(=O)C)NCc1cnc2n1CCC2	EMOLS-id_318768607	347.432	GKHQUTYINKMKQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097201
O=C(c1cc(cc(c1C)C)S(=O)(=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319059631	347.432	LSUOZSHYDIXWFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097202
O=C(c1ccccc1S(=O)(=O)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319140116	347.432	IAHJPBIILIQFNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097203
O=C(c1cccc(c1)S(=O)(=O)C(C)C)NCc1cnc2n1CCC2	MCULE-4926103423,EMOLS-id_320057161	347.432	XODKIHHDOLNTKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097204
O=C(c1ccc(cc1)S(=O)(=O)C(C)C)NCc1n[nH]c2c1CCC2	MCULE-8823442445,EMOLS-id_320111694	347.432	BFBGMCKIFMNIAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097206
O=C(c1cnn2c1CCC2)NS(=O)(=O)c1c(C)c(C)cc(c1C)C	EMOLS-id_112076888	347.432	HMERWJGUMQJJAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097207
O=C(c1nn2c(c1)CCC2)NS(=O)(=O)c1c(C)c(C)cc(c1C)C	EMOLS-id_112076897	347.432	BNOAXWHBCNQNET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097208
O=C(c1sc2c(c1)CCC2)NCC(=O)N1CCC[C@H]2[C@@]1(C2)C(=O)N	EMOLS-id_320173628,MCULE-1345236643	347.432	VKSLZOJKHODSTB-DIFFPNOSSA-N	00100010100010000000010010000000000000000000000000000000	25-01-097209
O=C(C(c1ccccc1)CS(=O)(=O)C)Nc1n(C)nc2c1CCC2	EMOLS-id_318240212	347.432	PEYBAZDIYABFEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097210
O=C(C(c1ccc(cc1)S(=O)(=O)C)C)NCc1cnc2n1CCC2	EMOLS-id_318916878	347.432	LXXZURQIOIKKKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097211
O=C(C(c1ccc(cc1)S(=O)(=O)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318899352	347.432	IAQPHBDQAPGMEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097212
O=C([C@H]1CN(C(=O)C1)CC1CC1)NNC(=O)c1sc2c(c1)CCC2	GD-id_ZINC46308506	347.432	PSHOGZPPNMAUKN-GFCCVEGCSA-N	00100010100000000000000010000000000000000000000000000000	25-01-097213
O=S(=O)(c1cnc2n1CCC2)Nc1cccc(c1)OC1CCCC1	EMOLS-id_100457119	347.432	NYTWMEBLKPBVLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097214
O=S(=O)(c1cnc2n1CCC2)Nc1ccc(cc1)OC1CCCC1	EMOLS-id_100963920	347.432	KAHLNURFNFAUKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097215
O=S(=O)(c1cnc2n1CCC2)Nc1ccccc1OC1CCCC1	EMOLS-id_100969069	347.432	MCRSBNIZUOYJMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097216
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(n(nc1C)C)C)C	PC-id_84829219	347.432	RNUZNZLKFYNXRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097217
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1n(ncc1)C(C)C)C	PC-id_45637907	347.432	QRBDSTVJPYSMGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097218
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(n(nc1C)C)C)C	PC-id_8752718	347.432	RNUZNZLKFYNXRM-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097219
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(n(nc1C)C)C)C	PC-id_8752720	347.432	RNUZNZLKFYNXRM-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-097220
s1c2c(CCC2)c(c1NC(=O)c1n(nc(c1)C)CC)C(=O)OCC	PC-id_49695824	347.432	DNGYKHVWGYHNAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097221
s1c2c(CCC2)c(c1NC(=O)c1nn(c(c1)C)CC)C(=O)OCC	PC-id_49697404	347.432	UGIYMGFGLHEFJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097222
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)C(=O)OC)C#N	PC-id_60315952	347.432	DIAAVKPEHASZHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097223
s1c2CCCc2nc1NC(=O)c1[nH]c(c(c1CCC)C(=O)OC)C	PC-id_52336562	347.432	DOAGFQWOGACFNZ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-097224
s1c2CCCc2nc1NC(=O)c1[nH]c(c(c1C)C(=O)OC(C)C)C	PC-id_33039919	347.432	ULJWOANHZIBBNF-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-097225
s1c2CCC(c2nc1NC(=O)CCCn1cccc1)C(=O)OCC	PC-id_49741194	347.432	QDAIMFVXNMQHLA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-097226
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(OC)cccc1	PC-id_756302	347.432	GSYQVGFDHHJVFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097227
S(=O)(=O)(C(C)C)c1cc(C(=O)Nc2n(nc3c2CCC3)C)ccc1	PC-id_45536353	347.432	XRWAHZKAGHNDSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097228
Cc1ccccc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324838135	347.433	GVYFXWNGPHJREC-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097229
Cc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324839669	347.433	ALXMINAYANHJMM-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097230
Cc1ccc(CCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_324904459	347.433	IRUBZXSKPFMHDU-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097231
Cc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324841206	347.433	KZZZPQHPCPZKAV-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097232
CCc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324836339	347.433	ISDNKWTUBPGDAQ-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-097233
n12nc(nc1sc(=Cc1ccc(cc1)c1ccccc1)c2=O)CCC	MCULE-4133469808	347.433	BYLVKTSUDQPCME-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-097234
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCc1ccc(cc1)C	MCULE-9883218614	347.433	IRUBZXSKPFMHDU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097235
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)CCc1ccccc1	MCULE-5148073656	347.433	ALXMINAYANHJMM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097236
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCc1ccccc1	MCULE-8352128954	347.433	GVYFXWNGPHJREC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097237
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)Cc1ccccc1	MCULE-4389480560	347.433	ISDNKWTUBPGDAQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097238
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCc1ccccc1	MCULE-6661898259	347.433	KZZZPQHPCPZKAV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097239
c12SCCn1cc(CNc1cc(C3CCOC3)nc(COC)n1)n2	MCULE-3278134857,PC-id_119071566,EMOLS-id_82734737	347.435	SSKVKSCWFSIAHX-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-097240
c1(NC(=O)CCn2c(C)c(c(C)n2)C(=O)C)n(C)nc2CSCc12	MCULE-4660011957,EMOLS-id_316224041,ZINC22_1506399242	347.435	CKQRVPPEGBDQSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097241
Cc1ccnc(c1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223701	347.435	CJBICOHIQJXYJL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-097242
CCc1nc([C@@H]2CCCN2CC(=O)Nc2nc3c(s2)CCC3)no1	ZINC22_75573254,PC-id_96011821	347.435	CCHURGAKLMDCFU-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-097243
CCc1nc([C@H]2CCCN2CC(=O)Nc2nc3c(s2)CCC3)no1	ZINC22_75573255,PC-id_96011822	347.435	CCHURGAKLMDCFU-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097244
CCc1onc(n1)C1CCCN1CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_43371626,MCULE-8880523687,PC-id_72149428	347.435	CCHURGAKLMDCFU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097245
C[C@H]1C[C@@H](NC(=O)Nc2nc(C3CCOCC3)cs2)c2nccn12	ZINC22_333183538	347.435	MJOHREIWRGDLRI-CMPLNLGQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097246
C[C@H]1C[C@H](NC(=O)Nc2nc(C3CCOCC3)cs2)c2nccn12	ZINC22_333183539	347.435	MJOHREIWRGDLRI-JQWIXIFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097247
C[C@@H]1C[C@H](NC(=O)Nc2nc(C3CCOCC3)cs2)c2nccn12	ZINC22_333183540	347.435	MJOHREIWRGDLRI-PWSUYJOCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097248
C[C@@H]1C[C@@H](NC(=O)Nc2nc(C3CCOCC3)cs2)c2nccn12	ZINC22_333183541	347.435	MJOHREIWRGDLRI-ZYHUDNBSSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097249
C[C@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1nnc2n1CCC2	PC-id_97321041,ZINC22_95966166	347.435	MPWNRWWJGXJVSW-NWDGAFQWSA-N	00000010100110000001100010000000000000000000000000000000	25-01-097250
C[C@@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1nnc2n1CCC2	PC-id_97321042,ZINC22_95966167	347.435	MPWNRWWJGXJVSW-VXGBXAGGSA-N	00000010100110000001100010000000000000000000000000000000	25-01-097251
C[C@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1nnc2n1CCC2	ZINC22_95966164,PC-id_97321039	347.435	MPWNRWWJGXJVSW-RYUDHWBXSA-N	00000010100110000001100010000000000000000000000000000000	25-01-097252
C[C@@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1nnc2n1CCC2	ZINC22_95966165,PC-id_97321040	347.435	MPWNRWWJGXJVSW-NEPJUHHUSA-N	00000010100110000001100010000000000000000000000000000000	25-01-097253
CC(=O)NC1(CCN(C1)Cc1sc2c(n1)CCC2)c1noc(n1)C	EMOLS-id_317267909,MCULE-3375846713	347.435	IGARQCQTDZHLCW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097254
CC(=O)NC(Cc1cnc[nH]1)C(=O)NCCc1nc2c(s1)CCC2	PC-id_91841220	347.435	QSKRKNOLYSLKGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097255
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_55691333,ZINC22_244794729,MCULE-4646123737	347.435	QSKRKNOLYSLKGM-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097256
Cn1cc([C@H]2CN(CC(=O)Nc3nc4c(s3)CCC4)CCO2)cn1	ZINC22_434980658	347.435	GIMZTCQETKPASH-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097257
Cn1cc([C@@H]2CN(CC(=O)Nc3nc4c(s3)CCC4)CCO2)cn1	ZINC22_434980659	347.435	GIMZTCQETKPASH-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097258
Cn1cc(cn1)C1CN(CCO1)CC(=O)Nc1nc2c(s1)CCC2	MCULE-5709042377,EMOLS-id_316868167,PC-id_136513276	347.435	GIMZTCQETKPASH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097259
Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1nc2c(s1)CCC2	ZINC22_931137547	347.435	CVQSPHMJSDOZNV-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097260
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1nc2c(s1)CCC2	ZINC22_931137548	347.435	CVQSPHMJSDOZNV-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097261
CN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1cnn(C)c1	EMOLS-id_43420226,MCULE-9057096091,ZINC22_32539752,CoCoCo_3848323,PC-id_39780167,CoCoCo_3848322	347.435	GCCVEXCPDKOBGA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097262
COCc1nc(NCc2cn3c(n2)SCC3)cc([C@@H]2CCOC2)n1	ZINC22_426634025	347.435	SSKVKSCWFSIAHX-LLVKDONJSA-N	00000010100000100001100010000000000000000000000000000000	25-01-097263
COCc1nc(NCc2cn3c(n2)SCC3)cc([C@H]2CCOC2)n1	ZINC22_426634027	347.435	SSKVKSCWFSIAHX-NSHDSACASA-N	00000010100000100001100010000000000000000000000000000000	25-01-097264
COC(=O)c1cn(nn1)C1CCN(CC1)Cc1nc2c(s1)CCC2	PC-id_86791682,MCULE-7378117207,EMOLS-id_49939238	347.435	CGVNUTCPGGGMOQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097265
O=C(c1nnn(c1)C1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	MCULE-9704209092,EMOLS-id_102183504	347.435	NCWMZRJDJJIYBG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097266
O=C(Cc1csc(n1)N1CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_319313171	347.435	LWNXUOYXIZOCDP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097267
O=C(Cc1csc(n1)NC(=O)C(C)C)NCc1n[nH]c2c1CCC2	MCULE-6249629543,EMOLS-id_319888037	347.435	CIVAUQKMRKCUKJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097268
O=C(N1CCCC1c1onc(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009066	347.435	PNWHFKYHRGNLEE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097269
O=C(N1CCOC(C1)c1cccs1)NC(c1nnc2n1CCC2)C	MCULE-4355530750,EMOLS-id_48793869,PC-id_75426840	347.435	MPWNRWWJGXJVSW-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-097270
O=C(NC1CC(n2c1ncc2)C)Nc1ncc(s1)C1CCOCC1	EMOLS-id_101455993	347.435	LFKZPVALTFTXSP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097271
O=C(NC1CC(n2c1ncc2)C)Nc1scc(n1)C1CCOCC1	MCULE-9832176884,EMOLS-id_101418402	347.435	MJOHREIWRGDLRI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097272
O=C(Nc1cc(nn1C)C1CCCO1)NCc1sc2c(n1)CCC2	EMOLS-id_316976791,MCULE-4209983231	347.435	CVQSPHMJSDOZNV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097273
O=S(=O)(c1ccc(NCc2nnc3n2CCC3)cc1)N1CCCC1	ZINC22_891656855,EMOLS-id_316972767,MCULE-3718100716	347.435	QPRRXVZMFTUNFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097274
c1(C(=O)NCc2cn3c(SCC3)n2)cn(nn1)CC1CCCNC1	PC-id_50950433,MCULE-3251951042,EMOLS-id_32372398	347.439	IILUPISXGNAXDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097275
CCc1nsc(n1)N1CCCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_319424984	347.439	YELKVRHYCAIQDJ-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-097276
O=C(NCc1cn2c(n1)SCC2)c1cn(C[C@@H]2CCCNC2)nn1	ZINC22_65372563,PC-id_95120626	347.439	IILUPISXGNAXDL-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097277
O=C(NCc1cn2c(n1)SCC2)c1cn(C[C@H]2CCCNC2)nn1	ZINC22_65372564,PC-id_95120627	347.439	IILUPISXGNAXDL-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-097278
O=C(NCc1nnc2n1CCC2)Nc1nnc(C2CCCCC2)s1	MCULE-9344797701,EMOLS-id_35707836,ZINC22_43602211,PC-id_53503384	347.439	OVSAWPMTEAETTJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097279
s1ncc(OCC)c1CNN=C1c2n(N=C1C)c(nn2)CCCC	PC-id_60031132	347.439	CNBOLRPOQDCSCC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-097280
CN(C)C(C(=O)NCCc1nc2CCCc2s1)c1ccc(F)cc1	EMOLS-id_46647914,MCULE-7364709304,PC-id_72933001	347.45	ZCBLIXNBYVZMLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097281
CN(C)[C@H](C(=O)NCCc1nc2c(s1)CCC2)c1ccc(F)cc1	PC-id_97208903,ZINC22_95389235	347.45	ZCBLIXNBYVZMLI-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097282
CN(C)[C@@H](C(=O)NCCc1nc2c(s1)CCC2)c1ccc(F)cc1	ZINC22_95389236,PC-id_97208904	347.45	ZCBLIXNBYVZMLI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097283
CN(CC(=O)NCCc1nc2CCCc2s1)Cc1ccccc1F	ZINC22_244811564,MCULE-3714146899,PC-id_91835365,EMOLS-id_55650505	347.45	SGYDKZDFPODVQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097284
c1(NC(=O)c2ccccc2SC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_5570024,MCULE-7942197809,ZINC22_4517418,CoCoCo_5141855,PC-id_7266822	347.452	QIAPJYDRVCLABD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097285
c1(NC(=O)c2cccc(SC)c2)sc2c(CCC2)c1C(=O)OC	ZINC22_4517515,MCULE-2354036385,CoCoCo_5141981,PC-id_7266899,EMOLS-id_5570204	347.452	TWPRMEZAPKLFOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097286
c1(NC(=O)C=Cc2cccs2)sc2c(CCC2)c1C(=O)OCC	MCULE-6696235021,EMOLS-id_300182935,PC-id_727700	347.452	XUPOOTAZTHRANZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097287
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2496639,CoCoCo_541231,PC-id_2970669,MCULE-3216810514,ZINC22_4750016,TIMTEC174928	347.452	GOWQTBVTFJGYBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097288
Cc1ccc(cc1)C(=S)c1c(cc2n1CCC2OC(=O)O)SC	PC-id_88672596,SCHEMBL10816017	347.452	HVXHDDHHKWWXPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097289
C=CCSc1cc2n(c1C(=O)c1cccs1)CCC2C(=O)OC	PC-id_70450946,SCHEMBL10818895	347.452	FDVROHLFSMOPCD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097290
C=CCSc1cc2n(c1C(=O)c1cscc1)CCC2(C)C(=O)O	SCHEMBL10819059,PC-id_70451026	347.452	JMRLLFNVCVBJCE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097291
C=CCSc1cc2n(c1C(=O)c1cscc1)CCC2C(=O)OC	PC-id_70451009,SCHEMBL10819014	347.452	SLVYOYLAWWJCBX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097292
CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCC2	Chemmine_21636,CoCoCo_745381,EMOLS-id_25902153,ChEMBL-DNDi_CHEMBL6139672,PC-id_727701,ZINC22_137343	347.452	XUPOOTAZTHRANZ-CMDGGOBGSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097293
CCOC(=O)c1c(NC(=O)/C=Cc2cccs2)sc2c1CCC2	CoCoCo_745382	347.452	XUPOOTAZTHRANZ-HJWRWDBZSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097294
CCOC(=O)CCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109743	347.452	UGEYITGRFZPXRJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097295
CC(=O)OC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)(C)C	PC-id_92109945	347.452	GFSLWIDSOBSUKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097296
CSc1ccc(C(=O)c2c(SC)cc3n2CCC3C(=O)O)cc1	CHEMBL19889,PC-id_13687508	347.452	PKRRTYUPTOPHDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097297
OC(=O)C1CCn2c1cc(c2C(=S)c1ccc(cc1)C)S(=O)C	SCHEMBL10902803,PC-id_20235131	347.452	RVWQMORQTAWMCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097298
OC(=O)CSCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	MCULE-4835790701,EMOLS-id_72255382,PC-id_119240549	347.452	MDCBACWPTFTINS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097299
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(SC)cc1	PC-id_24567543	347.452	RUJHFKOCKJPPEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097300
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(SC)ccc1	PC-id_7238986	347.452	YVASXYHZORUPSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097301
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(SC)cccc1	PC-id_7291973	347.452	CCNZBBXILPVTLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097302
s1c2c(CCC2)c(c1NC(=O)c1ccc(SC)cc1)C(=O)OC	PC-id_7565373	347.452	HIHKSHNLKWRHHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097303
CS(=O)(=O)C1CCCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101061484	347.454	OUWOIPWGSUDMRW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097304
O=S1(=O)CC[C@@H](CCS(=O)(=O)NCc2n[nH]c3c2CCC3)C1	ZINC22_1857707042	347.454	XGMPRBPRYURQLE-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-097305
O=S1(=O)CC[C@H](CCS(=O)(=O)NCc2n[nH]c3c2CCC3)C1	ZINC22_1857707043	347.454	XGMPRBPRYURQLE-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097306
O=S(=O)(c1cnc2n1CCC2)N1CCS(=O)(=O)C(CC1)(C)C	EMOLS-id_101241074	347.454	DODYLYXCFWTRGQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097307
O=S(=O)(c1cnc2n1CCC2)NCC1(CCCC1)S(=O)(=O)C	EMOLS-id_98579905	347.454	SRCGYALHHACKBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097308
O=S(=O)(CCC1CCS(=O)(=O)C1)NCc1n[nH]c2CCCc12	EMOLS-id_323991171,MCULE-4439026854,PC-id_145941344	347.454	XGMPRBPRYURQLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097309
c1(NC(=S)Nc2cc(C)ccn2)sc2c(CCC2)c1C(=O)OC	ZINC22_6614826,TIMTEC238569,EMOLS-id_4026123,MCULE-7011973713,CoCoCo_6620633,PC-id_4508782	347.455	JIDDFCDPQUANKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097310
c1(NC(=S)NCc2ccccn2)sc2c(CCC2)c1C(=O)OC	SCHEMBL13977448,TIMTEC104999,EMOLS-id_2004091,MCULE-1810207705,ZINC22_611852,PC-id_971892,Chemmine_19344,ChEMBL-DNDi_CHEMBL7833546,CoCoCo_1001893	347.455	CORVVGHWWSGABV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097311
c1(NC(=S)NCc2cccnc2)sc2c(CCC2)c1C(=O)OC	TIMTEC311680,EMOLS-id_4026127,PC-id_4508945,CoCoCo_6797965,ZINC22_6288195,MCULE-8539516022,SPECS-id_AO-476/43324685	347.455	MLLLZPHSKJQZRS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097312
c1(NC(=S)NCc2ccncc2)sc2c(CCC2)c1C(=O)OC	ZINC22_6288202,MCULE-2290418196,CoCoCo_6797962,TIMTEC204546,PC-id_4508773,EMOLS-id_4026121	347.455	HWGVUDYVFKXNNC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097313
CC(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2n1CCC2	PC-id_97570503,ZINC22_96421552	347.455	WYQBKIOQHUYEQB-MHEUCROKSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097314
CC(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1nnc2n1CCC2	ZINC22_245344021	347.455	WYQBKIOQHUYEQB-BEAPCOKYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097315
CC(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1nnc2n1CCC2	ZINC22_245344022	347.455	WYQBKIOQHUYEQB-FAAHXZRKSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097316
CC(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1nnc2n1CCC2	ZINC22_245344023	347.455	WYQBKIOQHUYEQB-SPWCGHHHSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097317
CCCN(C1C2CCOC2C1(C)C)C(=O)NCc1nnc2n1CCC2	PC-id_75373156,MCULE-3565725706,EMOLS-id_48239624	347.455	FDPPDUDURQHZGZ-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097318
CCCN(C(=O)NCc1nnc2n1CCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	PC-id_97215870,ZINC22_95400329	347.455	FDPPDUDURQHZGZ-MAZHCROVSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097319
CCCN(C(=O)NCc1nnc2n1CCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	PC-id_97215872,ZINC22_95400331	347.455	FDPPDUDURQHZGZ-WQVCFCJDSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097320
CCCN(C(=O)NCc1nnc2n1CCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC22_240333495	347.455	FDPPDUDURQHZGZ-APHBMKBZSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097321
CCCN(C(=O)NCc1nnc2n1CCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC22_240333496	347.455	FDPPDUDURQHZGZ-DAXOMENPSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097322
CC(N1CCC(CC1)N1CCN(CC1)C(=O)c1cc2n(n1)CCO2)C	EMOLS-id_99603253	347.455	RQWBNFYXHHRFDX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097323
CN1CCC(CC1)(CNC(=O)c1n[nH]c2c1CCC2)N1CCOCC1	EMOLS-id_101671493	347.455	CDNQJDCFRZQWEI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097324
CN1CCN(CC1)C1(CCCCC1)CNC(=O)c1nn2CCOc2c1	PC-id_91959782	347.455	KKESIUOKQJRXNM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097325
CN1CCN(CC1)[C@H]1CCN(CC[C@@H]1O)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_48381446,MCULE-8810982051,BDE-33887931,PC-id_110128413,ZINC22_257201198	347.455	AGSSEAFNMGFMBM-HOTGVXAUSA-N	00000010100010000101100010000000000000000000000000000000	25-01-097326
s1c2c(CCC2)c(c1NC(=S)Nc1ncccc1C)C(=O)OC	PC-id_17298547	347.455	JKIVAJXDGDXCNO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097347
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCO[C@@H]1CC1CCNCC1	ZINC22_952889110,EMOLS-id_316083123,MCULE-2157398804	347.455	TXFWZAXYJIZFMQ-HUUCEWRRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097327
C(=O)(C1CCNCC1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C	PC-id_46228464,BindingDB_PC-id_46228464,CHEMBL591898	347.455	ZCQQEWOROAMZJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097328
COCc1ncsc1C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2	ZINC22_906263166	347.455	RYZQJBZCYJKKFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097329
O1C2C(C(NC(=O)NC(C(C)C)c3n4CCCc4nn3)C2CC1)(C)C	EMOLS-id_49045452,PC-id_72001203,MCULE-4516099163	347.455	WYQBKIOQHUYEQB-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097330
O1CCN(C2(CCCC2)CC(=O)NCCc2n3CCCc3nn2)CC1	PC-id_71925523,MCULE-4035510062,EMOLS-id_45657473	347.455	UVIBFMRVTSQDET-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097331
O1C(CN(C2CCCC2)C(=O)NCCc2n3CCCc3nn2)CCC1	EMOLS-id_45664037,MCULE-9116841244,PC-id_71922230	347.455	CZMOUCWQKHLZMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097332
OC1CCCCC1C1CCCCN1C(=O)NC1CC(n2c1ncn2)C	MCULE-7868585369,EMOLS-id_316426394	347.455	WDWWGJFGBSOBAJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097333
O=C(c1cc(sc1C)N1CCCC1=O)Nc1sc2c(n1)CCC2	PC-id_145979584	347.455	FAKNQJYTRBXORL-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-097334
O=C(c1c(sc2c1CCC2)NC(=O)c1scnc1C)NC1CC1	PC-id_56822271	347.455	ZSDOISDPXZJZPB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-097335
O=C(CNC(=O)c1cc2c(s1)CCC2)Nc1nc(C2CC2)cs1	PC-id_75512009,MCULE-2349910970,ZINC22_97001454,EMOLS-id_49330623	347.455	VCPOZJVFRWMFFX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-097336
O=C(N1CCCC1C(=O)Nc1nccs1)c1sc2c(c1)CCC2	EMOLS-id_48213497,PC-id_75403168,MCULE-1183529308	347.455	MXKXXSYWTIKHTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097337
O=C(N1CCC(CC1)OC1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_97964749	347.455	XWLIQQHNZUCIPL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097338
O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2	PC-id_93824243,ZINC22_41815553	347.455	MXKXXSYWTIKHTO-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-097339
O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_41815554,PC-id_93824244	347.455	MXKXXSYWTIKHTO-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097340
O=C(NCCc1nnc2n1CCC2)N(C[C@@H]1CCCO1)C1CCCC1	PC-id_97048923,ZINC22_86429832	347.455	CZMOUCWQKHLZMG-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097341
O=C(NCCc1nnc2n1CCC2)N(C[C@H]1CCCO1)C1CCCC1	ZINC22_86429833,PC-id_97048924	347.455	CZMOUCWQKHLZMG-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097342
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCC1)C(=O)N(C)C)C#N	PC-id_74486512	347.455	PDQFUMMZVHNFNR-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-097343
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)C(=O)N(C)C)C#N	PC-id_25984631	347.455	PDQFUMMZVHNFNR-ZDUSSCGKSA-O	00000010100000000000000010000000000000000000000000000000	25-01-097344
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)C(=O)N(C)C)C#N	PC-id_25984633	347.455	PDQFUMMZVHNFNR-CYBMUJFWSA-O	00000010100000000000000010000000000000000000000000000000	25-01-097345
s1c2c(CCC2)c(c1NC(=O)CSc1c(N)cccc1)C(=O)N	PC-id_4128303	347.455	MIXOOUBDJBVGDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097346
s1c2c(CCC2)c(c1NC(=S)Nc1ncc(cc1)C)C(=O)OC	PC-id_19686116	347.455	YRVFQOOAGWSVBW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097348
s1c2c(CCC2)c(c1NC(=S)Nc1nc(ccc1)C)C(=O)OC	PC-id_19686173	347.455	DMTUIOXGMBTZKR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097349
s1c2CCCc2nc1NC(=O)CSCC(=O)Nc1ccccc1	PC-id_956922	347.455	ONVCBWMPVBTLCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097350
c1(NC(=O)CSc2nnc(C(C)C)[nH]2)sc2c(CCC2)c1C#N	MCULE-4652094009,EMOLS-id_181100943,PC-id_4092567	347.458	ZBTDISDYJLTCOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097351
CC(C)(C)c1nc(CC(=O)Nc2nc3n(c2C#N)CCS3)cs1	PC-id_60323653,EMOLS-id_49027701,MCULE-4205537597,ZINC22_96410987	347.458	PPXBXVVSIRJBHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097352
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)N1CCOCC1	PC-id_111726435	347.458	ROBCZZNBNVAGLM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097353
CN=C(N1CCN(CC1)CC1COCC1)NCc1nnc2n1CCC2	PC-id_120046281	347.458	ZUPQPEBPJBRGJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097354
CN=C(N1CC(=O)N(C(C1)(C)C)C(C)C)NCc1nnc2n1CCC2	PC-id_120051823	347.458	RZDIZCIFQKVNFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097355
CN=C(NCC1(CCCC1)C(=O)N(C)C)NCc1nnc2n1CCC2	PC-id_111571103	347.458	JJAYRSWUXHVQGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097356
O=C(c1sc2c(c1)sc(n2)N(C)C)NCc1cnc2n1CCC2	MCULE-2755083446,EMOLS-id_320064343	347.458	DAQCCXORPHXKTL-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-097357
s1c2CCCc2c(c1NC(=O)CSc1n(C(C)C)cnn1)C#N	PC-id_7675556	347.458	FJHUNNIHVSKPOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097358
S1CCn2c1nc(NC(=O)c1sc(nc1C)CC(C)C)c2C#N	PC-id_60324184	347.458	NFLBWJZRVAZOLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097359
s1c(nc(c1C(=O)Nc1nc2SCCn2c1C#N)C)C(C)(C)C	PC-id_60323942	347.458	BGWOAYCPGKUZBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097360
CSc1nn2c(n1)N=S=C2N(/N=Cc1ccc(cc1)N(C)C)C	PC-id_101031888	347.462	IPCAFKJSIROENP-DHDCSXOGSA-N	00000011100000110001000010000000000000000000000000000000	25-01-097361
CCC1OCCC(C1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170356	347.472	IYYMMHUGEHCGAR-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-097362
CC(C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)C1CCOCC1	EMOLS-id_101170503	347.472	ZGWDEHNENLKBFO-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-097363
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CCC1CCOCC1	EMOLS-id_101172357	347.472	SZNQFZVZERTHSU-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-097364
s1c2CCCc2cc1C(=O)OC(C(=O)NCCC1=CCCCC1)C	PC-id_78469338	347.472	FBFHYKQKALGJBM-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-097365
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCCC1=CCCCC1)C	PC-id_7291916	347.472	FBFHYKQKALGJBM-ZDUSSCGKSA-N	00000010100011000000000010000000000000000000000000000000	25-01-097366
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCCC1=CCCCC1)C	PC-id_7291917	347.472	FBFHYKQKALGJBM-CYBMUJFWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-097367
Cc1c(C)c(C)c(c(c1S(=O)(=O)NC1CC(n2c1ncc2)C)C)C	EMOLS-id_101320544	347.475	MZCKGNCARPJMKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097368
CC(C)N(Cc1cc2c(s1)CCC2)Cc1cc(=O)n(C)c(=O)n1C	PC-id_56819789,EMOLS-id_36932477,MCULE-9256796058,ZINC22_71824961	347.475	GVPIZJNVADRNRC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-097369
CC(C(=O)NC1CC1)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_86918299	347.475	RDSFEUBTGPFUKZ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-097370
Cn1nc2c(c1NS(=O)(=O)c1c(C)c(C)c(c(c1C)C)C)CCC2	EMOLS-id_98228393	347.475	RSJPRTZIAOMURJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097371
CN(C1CCN(CC1)C(=O)c1cc2c(s1)CCN2C(=O)C1CC1)C	CHEMBL3551974,PC-id_97407214	347.475	LXVJNZWSTQQGDB-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-097372
N#Cc1c(NC(=O)CCN2CCCC(C2)(C)CO)sc2c1CCC2	PC-id_112416130	347.475	MUNYMTCIRDIPQR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097373
N#Cc1c(NC(=O)CCN2CCCCC2C(O)C)sc2c1CCC2	PC-id_111107086	347.475	FQEBHXKGMIGZOR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097374
N#Cc1c(NC(=O)CCN(CC2CCCC2O)C)sc2c1CCC2	PC-id_109397962	347.475	XNAMXFWDOOIAGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097375
N#Cc1c(NC(=O)CCN(CC2CCOCC2)C)sc2c1CCC2	EMOLS-id_98506408	347.475	CWMQEBDVJQYOKX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097376
N#Cc1c(NC(=O)CCN(CC2(O)CCCC2)C)sc2c1CCC2	PC-id_112416898	347.475	ZRDYDOVPANSDLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097377
N#Cc1c(NC(=O)C(N2CC(C)OC(C2)(C)C)C)sc2c1CCC2	EMOLS-id_110740183	347.475	NUVCLIUASRSAQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097378
N#Cc1c(NC(=O)C(N(CC2CCCCO2)C)C)sc2c1CCC2	EMOLS-id_99877676	347.475	AJSLGNOOJJCNOP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097379
N#Cc1c(NC(=O)C(N(CC2CCCOC2)C)C)sc2c1CCC2	EMOLS-id_99859094	347.475	IVPVBUDCVXXTFZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097380
N#Cc1c(NC(=O)C(N(CC2CCOCC2)C)C)sc2c1CCC2	EMOLS-id_98495294	347.475	XOGSNHMILJHWOY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097381
OCC1CCC(N(C1)CCC(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_112386930	347.475	YBXYNHCTYGOSPX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097382
O=C(C1CCCN(C1)C(=O)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180180	347.475	FYXHXVIQGLNGGT-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-097383
OCCCC1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_111431813	347.475	JISXRLNIDORQJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097384
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCCC1	CoCoCo_4090516,MCULE-5742102384,ZINC22_12700911,PC-id_16380349	347.475	RHJVDICMUJHXTK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097385
OCCn1ncc2c1CN(C2)Cc1ccc(o1)SC1CCCCC1	PC-id_77085457,EMOLS-id_49878500	347.475	BAXMZWUHFSCNBU-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-097386
s1c2CCCc2cc1C(=O)OCc1nc(sc1)c1ccsc1	PC-id_8752735	347.475	PHZLTUQFMXBBFB-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-097387
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)CCO)C#N	PC-id_60285211	347.475	LAKNHRAJANRRPG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097388
c1(NC(=O)Cc2csc(c3cccs3)n2)sc2c(CCC2)n1	MCULE-4359425664,EMOLS-id_323436905	347.478	IMOAZENXJFUEIR-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-097389
CC(C)(C)[C@@H](NC(=O)NCCc1nnc2n1CCC2)c1cccs1	PC-id_97048604,ZINC22_86368573	347.478	LPDHGAHYQCBVBM-HNNXBMFYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097390
CC(C)(C)[C@H](NC(=O)NCCc1nnc2n1CCC2)c1cccs1	ZINC22_86368570,PC-id_97048603	347.478	LPDHGAHYQCBVBM-OAHLLOKOSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097391
O=C(Cc1csc(c2ccsc2)n1)Nc1nc2c(s1)CCC2	PC-id_33040475,ZINC22_25768780,MCULE-8955201383,CoCoCo_4164353,EMOLS-id_24955471	347.478	LEBSVSQARXRABB-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-097392
O=C(NC(C(C)(C)C)c1cccs1)NCCc1nnc2n1CCC2	PC-id_71922283,MCULE-9259185975,EMOLS-id_45663929	347.478	LPDHGAHYQCBVBM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097393
s1c2CCCc2nc1NC(=O)c1sc(nc1C)c1ccsc1	PC-id_33040584	347.478	UWOZJHDJLRMSJG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-097394
s1c(CN(C(=O)NC(c2n3CCCc3nn2)C(C)C)CC)ccc1	PC-id_60273684	347.478	WXOLGTKWFOZGGL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097395
CCNC(=NCc1nnc2n1CCC2)NCc1scc(n1)C(C)C	PC-id_109848298	347.482	TWYXDYPEPHISBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097396
CCNC(=NCc1nnc2n1CCC2)NCCc1ncc(s1)CC	PC-id_111510269	347.482	DHUKODNKZVCQSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097397
CCNC(=NCc1nnc2n1CCC2)NCCc1sc(c(n1)C)C	PC-id_109837057	347.482	NWYNHYRREYEJBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097398
c1(NC(=O)CC2(CCSCC2)n2cccc2)sc2c(CCC2)n1	MCULE-8161049136,EMOLS-id_323265625	347.498	UJWPNVQDNUHIQJ-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-097399
CC1CCCC(C1)NC(C(=O)N(Cc1nnc2n1CCC2)C)C(C)C	EMOLS-id_318162043	347.498	DRDUOLOYSZHDEZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097400
CC1CC(C)CN(C1)C(CNC(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_101399023	347.498	ZYNNXTIJXGVKJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097401
Cc1cc(SC2CCOCC2)cc(n1)Nc1sc2c(n1)CCC2	PC-id_144988195	347.498	IGOIQKHWILFBOC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-097402
Cc1csc(N2CCCN(C(=O)c3cc4c(s3)CCC4)CC2)n1	PC-id_56819299,EMOLS-id_36930881,MCULE-3790245487,ZINC22_56362321	347.498	UBQPNZSKRLIUIU-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-097403
Cc1nc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cs1	MCULE-9273174581,ZINC22_42749419,EMOLS-id_36915323,PC-id_56812636	347.498	NEMSXVLVPPRGBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097404
CC(C(C(=O)N(Cc1nnc2n1CCC2)C)NC1CCC(C1)(C)C)C	EMOLS-id_318282544	347.498	GHQDLEANSNREKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097405
CC(C(C(=O)N(Cc1nnc2n1CCC2)C)NC1CCCCC1C)C	EMOLS-id_318342391	347.498	LYWWDVJCPRJPOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097406
O=C(c1cc2c(s1)CCC2)N1CCCN(Cc2cscn2)CC1	PC-id_53609601,ZINC22_69819573,EMOLS-id_36664824,MCULE-7644991241	347.498	UZZNMTZYTMMUNC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097407
O=C(c1scnc1C1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181821	347.498	UXHLYUJTTJFMDK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097408
O=C(CN1CCCC1c1ccc(s1)C)Nc1sc2c(n1)CCC2	PC-id_86953239	347.498	AMWQFWSLQHGYGH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-097409
Brc1sc(C(Cl)c2sc3c(CCC3)c2)cc1C	PC-id_79991797	347.721	NWGDQVZIEHRKJY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097432
s1c2CCCc2nc1CN1CCN(CC1)C(=O)Cc1sccc1	PC-id_44060319	347.498	HVYKGNUDBHIXPF-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-097410
N/C(=N/Cc1cc2c(s1)CCC2)/N1CCN(c2nccs2)CC1	PC-id_75419843,ZINC22_95948344	347.501	IVKCIJACYIFANE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097411
CCNC(=NCc1nnc2n1CCC2)NCCCN1CCCCC1C	PC-id_111020469	347.502	RKMNIDKRYIPYQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097412
CCNC(=NCc1nnc2n1CCC2)NCCCN1CCC(CC1)C	PC-id_111020497	347.502	HBCMWVDIVOQVKZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097413
CCNC(=NCc1nnc2n1CCC2)NCC(N1CCCCC1)(C)C	PC-id_111020385	347.502	HOKJIYOAESNMOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097414
CCNC(=NCc1nnc2n1CCC2)NCCN1CCCCC1CC	PC-id_111568721	347.502	HHIAWCQLRNUYHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097415
S(=O)(=O)(n1c2c(C([Si](C)(C)C)CC2=O)cc1)c1ccc(cc1)C	PC-id_11484816	347.504	YABUVNJXBFFLCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097416
CCCCCC1CCC(CC1)C(=S)c1ccc2n1CCC2C(=O)O	PC-id_139746939	347.515	BSFVVGLUANZRDS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-097417
C(=O)(Nc1sc2CCCc2c1C#N)CCCCCCCCCCN	EMOLS-id_327974238,MCULE-8839734705	347.518	KKVFPBQZCCJJHO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097418
O=C(N(C1CCCCC1)C1CCCCC1)Nc1sc2c(n1)CCC2	SCHEMBL999493,PC-id_11739517	347.518	MKFYEXCENGSEGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097419
s1c2c(CCC2)c(c1NC(=O)CCN(CC(C)C)CC(C)C)C#N	PC-id_52759100	347.518	POGGRCZSETVIMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097420
s1c(nc2c1CCC2)CN1CCN(CC1)C(=O)CCC1CCCC1	PC-id_44060344	347.518	QFFCAINCNVRPFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097421
s1c(nc2c1CCC2)CN1CCN(C(=O)CC2CCCCC2)CC1	PC-id_44060342	347.518	IYUYJLXHQOVBFN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097422
s1c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc2c1CCC2	PC-id_2552278	347.538	NNNYKSDGAKKJSY-UHFFFAOYSA-O	00000010100010000000100010000000000000000000000000000000	25-01-097423
c1(sc2c(CCC2)n1)NC(=O)c1c(Cl)ccc(Cl)c1Cl	MCULE-4751500919,EMOLS-id_334661080	347.647	FCCAHHQUAPUNER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097424
Brc1sc(C(=O)c2sc3CCCc3c2)cc1Cl	EMOLS-id_314338471,PC-id_80531558	347.678	MGRRNHOKONSYLG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097425
O=C(c1sc(c(c1)Br)Cl)c1sc2c(c1)CCC2	PC-id_102826811	347.678	FXHGDDVWODYFEO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097426
ClC(c1sc2c(CCC2)c1)c1c(Cl)cc(OC)c(Cl)c1	PC-id_81835282	347.687	NGIPNNSRYDJNDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097427
n12c(=O)c(=Cc3cc(Cl)ccc3O)sc1nc(C(F)(F)F)n2	MCULE-1268583883	347.7	MXWKDAWZUWUAJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097428
Oc1ccc(Cl)cc1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324909581	347.7	MXWKDAWZUWUAJE-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097429
Brc1c(sc(c1)C)C(Cl)c1sc2c(CCC2)c1	PC-id_65278342	347.721	PRGLJGZPFVATEO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097430
Brc1sc(c(C(Cl)c2sc3c(CCC3)c2)c1)C	PC-id_65632625	347.721	JJSQEBSAMUMSJW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097431
BrC(c1sc(c(c1)C)Cl)c1sc2c(c1)CCC2	PC-id_102765078	347.721	SWDYXAXHUFBGDQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097433
ClC(c1sc(c(c1)Br)C)c1sc2c(c1)CCC2	PC-id_102835604	347.721	CYLFYBSDIMFNPH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097434
Cn1nc(C(F)(F)F)c(NC(=O)c2c3c(nn2C)CCC3)c1Cl	ZINC22_906090927,MCULE-3948929318,EMOLS-id_316329660	347.723	XHMDIVBIQGCZPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097435
Clc1c2n(CCC2(C(=O)O)C(=O)O)c(c1C)C(=O)c1ccccc1	SCHEMBL11255523,PC-id_20526382	347.75	KLODTLPOWBLQMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097436
Clc1c2n(nc1C)C(N=N2)CCNC(=O)c1c(cccc1)C(=O)O	PC-id_67849911,SCHEMBL9429961	347.756	ZPHYRJVIGINOMY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-097437
Clc1ccc(c(c1S(=O)(=O)NCc1n[nH]c2c1CCC2)F)F	EMOLS-id_320080844,MCULE-8776565007	347.768	QBEQSWPVMOGJRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097438
c1(C#N)c2CCCc2sc1N=Cc1cc(Cl)cc(N(=O)=O)c1O	MCULE-7934885410	347.776	KSBKPAMFKQRYEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097439
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCC2)c1C#N	ZINC22_35158,PC-id_673188,EMOLS-id_6775181,MCULE-1962548451,CoCoCo_1754808	347.776	NIHMORDTKDHDDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097440
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C#N	MCULE-5949452758,EMOLS-id_619007,ZINC22_2495498,ChEMBL-DNDi_CHEMBL3771-6307,CoCoCo_1754755,PC-id_2058414	347.776	CGCMQCPVZHDEGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097441
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCC2)c1C#N	PC-id_4195824,MCULE-3810579808,EMOLS-id_30101597,ZINC22_4072655,CoCoCo_4971116,ChEMBL-DNDi_CHEMBLF0328-0316	347.776	JBDQKCVCLKAYHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097442
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-7132859029,ZINC22_36204,EMOLS-id_6776676,CoCoCo_1754789,PC-id_673975,ChemDIV3771-7704	347.776	LOYBIKSBGKFBKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097443
ClC1=CC(=CNc2sc3CCCc3c2C#N)C(=O)C(=C1)[N+](=O)[O-]	PC-id_23938250	347.776	ZXGVFYVDFNSHNJ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-097444
ClC1=C/C(=C/Nc2sc3CCCc3c2C#N)/C(=O)C(=C1)[N+](=O)[O-]	PC-id_6297882	347.776	ZXGVFYVDFNSHNJ-FPLPWBNLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-097445
N#Cc1c(/N=Cc2cc(Cl)cc(c2O)[N+](=O)[O-])sc2c1CCC2	CoCoCo_6253926	347.776	KSBKPAMFKQRYEQ-WSVATBPTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097446
N#Cc1c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)sc2c1CCC2	ZINC22_4739515,EMOLS-id_26614799,PC-id_135643756,CoCoCo_6253925	347.776	KSBKPAMFKQRYEQ-CNHKJKLMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097447
N#Cc1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCC2	MCULE-3449816285,CoCoCo_3268194,EMOLS-id_3048089,PC-id_2420763,ZINC22_3305097	347.776	ROAHDCFSIZNRKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097448
N(=O)(=O)c1cccc(C(=O)Nc2sc3CCCc3c2C#N)c1Cl	EMOLS-id_328115361,MCULE-3996294068	347.776	ZKUROFPTIKRMIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097449
COCCc1cc2n(c1C(=O)c1ccc(Cl)cc1)CCC2C(=O)O	PC-id_13780979,CHEMBL167792	347.793	JJPZTYXJOSPTNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097450
CCCOc1c(Cl)cc(cc1OC)C=C1C(=O)c2n(C1C)ncn2	EMOLS-id_278712889	347.796	FWSXJWUOVWUZGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097451
O=C(c1n[nH]c2c1COC2)N1CCC(Oc2ccc(Cl)cc2)CC1	ZINC22_2325820671	347.796	BRUAEAZDFLAZOR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-097452
COC(=O)C1c2c[nH]nc2CN1S(=O)(=O)c1ccc(s1)Cl	EMOLS-id_317005600	347.798	LFSYVJIJOOOMIO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097453
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1cc(ccc1)Cl	PC-id_134796837	347.799	JEENGBVGRDVRER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097454
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)Cl	PC-id_134799589	347.799	WFOPHONWRBGVFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097455
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccccc1Cl	PC-id_134799824	347.799	PANZAFCXRHYGDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097456
O=C(C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl)N1CCCC1	SCHEMBL19609929	347.799	RJSFXHLNBQJFCE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-097457
O=C([C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl)N1CCCC1	SCHEMBL19609928	347.799	RJSFXHLNBQJFCE-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-097458
O=C(C1CCC1c1ccc(cc1F)Cl)NCc1cnc2n1CCC2	EMOLS-id_320232352,MCULE-6960036596	347.814	WXCOKSJNTHNVGN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-097459
O=C(C1CCC1c1ccc(cc1F)Cl)NCc1n[nH]c2c1CCC2	EMOLS-id_319692373	347.814	DEYCIZMMUSIXTH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-097460
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)O	MCULE-5549701661	347.816	KYXJKIJBAORZFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097461
CC1Cn2c(C1)nsc2=Nc1c(F)sc(c1Cl)CC(=O)O	PC-id_140352641	347.816	VUBGOIKNNSGSFC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097462
Clc1cc(N)c(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)F	PC-id_103051127	347.816	OJNBSIJMKWCWMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097463
Clc1c(F)c(S(=O)(=O)Nc2sc3CCCc3n2)cc(N)c1	PC-id_61507925	347.816	IFTYDOOXQHDXSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097464
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(N)c(F)c1	PC-id_61508328	347.816	GXNINYPQXLDJNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097465
OC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2CCCc12	EMOLS-id_179129556,PC-id_28860318	347.816	KYXJKIJBAORZFC-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097466
c1(C(=O)Nc2sc3CCCc3c2C#N)cc(Cl)c(N)cc1OC	MCULE-8972774713,EMOLS-id_328059375	347.819	IWNUXBFXOGQYOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097467
c1(NC(=O)Nc2c(OC)ccc(Cl)c2)sc2c(CCC2)c1C#N	PC-id_35279947,MCULE-2875487353,ZINC22_27923358,EMOLS-id_13109432,CoCoCo_6400567	347.819	FSZABEQDWOENCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097468
Clc1ccc(s1)c1n[nH]cc1C(=O)NCc1cnc2n1CCC2	EMOLS-id_320236271,MCULE-3025731700	347.823	ZGEVPBPZTJBUNC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-097469
Clc1ccc(s1)c1n[nH]cc1C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_318965255	347.823	AYYWJVFDPQLEJN-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-097470
C1Cc2ncc(n2C1)CN(CCCC(=O)O)Cc1ccccc1Cl	EMOLS-id_317058583,MCULE-3297339289,PC-id_136573244	347.839	GAZFMSQMHXDZFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097471
C1Cc2ncc(n2C1)CN(CCCC(=O)O)Cc1ccc(cc1)Cl	MCULE-4161559949,EMOLS-id_317354268,PC-id_136573239	347.839	QMHXODVXJDUBCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097472
Cc1cc(OCCCC(=O)Nc2c3c(nn2C)CCC3)ccc1Cl	MCULE-5903154118,ZINC22_48303039,PC-id_47074160,EMOLS-id_32092634	347.839	ODSZLHGICRFQGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097473
Clc1ccc(Cn2c3C(CCc3nc2C(C)C)CC(=O)ON)cc1	PC-id_67434999,SCHEMBL2512583	347.839	NOEFDBZYAHUOFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097474
O=C(O)CCCN(Cc1cccc(Cl)c1)Cc1cnc2n1CCC2	EMOLS-id_317058070,MCULE-6917540068,PC-id_136573222,ZINC22_1615546881	347.839	CNPBDOTTXZFVQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097475
c1(CN2CCC(CC2)COc2ccncc2Cl)nnc2CCCn12	MCULE-5792579444,EMOLS-id_324549959,ZINC22_1849478693	347.842	ZGSUDSFBVUUAIH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-097476
c1(CN2CCCC(COc3c(cccn3)Cl)C2)nnc2CCCn12	MCULE-9009448952,EMOLS-id_337721805	347.842	HUNIOFNZQAVTLI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-097477
Cc1ccc(NC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)cc1Cl	PC-id_95302317,ZINC22_69582464	347.842	RPTSKMYERBYFOF-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097478
Cc1ccc(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)cc1Cl	ZINC22_69582459,PC-id_95302316	347.842	RPTSKMYERBYFOF-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097479
CCc1ccc(c(c1NC(=O)N1Cc2c(C1)nn(c2N)C)CC)Cl	EMOLS-id_319635232	347.842	XWSUZGMAEPLYRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097480
CC(C)[C@@H](NC(=O)NCc1ccc(Cl)cc1)c1nnc2n1CCC2	PC-id_95760865,ZINC22_72271490	347.842	KNAPOZAHUPMUHA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097481
CC(C)[C@H](NC(=O)NCc1ccc(Cl)cc1)c1nnc2n1CCC2	ZINC22_72271489,PC-id_95760864	347.842	KNAPOZAHUPMUHA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097482
C[C@@H]1C[C@H](NC(=O)N(CCN)Cc2cccc(Cl)c2)c2nccn12	ZINC22_891940909	347.842	UAWKJFBNSMGUIS-DOMZBBRYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097483
C[C@@H]1C[C@@H](NC(=O)N(CCN)Cc2cccc(Cl)c2)c2nccn12	ZINC22_891940910	347.842	UAWKJFBNSMGUIS-IUODEOHRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097484
C[C@H]1C[C@@H](NC(=O)N(CCN)Cc2cccc(Cl)c2)c2nccn12	ZINC22_891940911	347.842	UAWKJFBNSMGUIS-SWLSCSKDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097485
C[C@H]1C[C@H](NC(=O)N(CCN)Cc2cccc(Cl)c2)c2nccn12	ZINC22_891940913	347.842	UAWKJFBNSMGUIS-WFASDCNBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097486
Clc1ccc(c(c1)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C(C)(C)C	EMOLS-id_319844111	347.842	IAJPRNLWKAGPRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097487
Clc1ccc(CNC(=O)NC(c2n3CCCc3nn2)C(C)C)cc1	MCULE-9561491302,EMOLS-id_42884763,PC-id_60274114	347.842	KNAPOZAHUPMUHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097488
Clc1cc(NC(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1C	PC-id_53583100,EMOLS-id_36359386,MCULE-4923582862	347.842	RPTSKMYERBYFOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097489
Clc1c(CNC(=O)NC(c2n3CCCc3nn2)C(C)C)cccc1	PC-id_60273683	347.842	MPLVRHKXRVRSAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097490
O=C(NCCCc1ccc(Cl)cc1)NCCc1nnc2n1CCC2	PC-id_71972729,MCULE-9379342043,EMOLS-id_49103160,ZINC22_86373057	347.842	WCFWSLDIZWTJHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097491
Clc1sc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)c(n1)C	PC-id_61047386	347.844	AYOLQYUZKYFAKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097492
Clc1sc(S(=O)(=O)NC(c2n3CCCc3nn2)C)c(n1)C	PC-id_61053249	347.844	PFERYAPNOODLMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097493
c1(CN2CCC(CC2)N(C)c2ncc(cn2)Cl)nnc2CCCn12	MCULE-9348425200,EMOLS-id_330973996,ZINC22_1849478607,PC-id_155980981	347.846	XPYODVNZMNUCRJ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-097494
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(nc1)Cl	PC-id_109786638	347.846	ANRWWZYUHQDJKV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-097495
Clc1ccc(cc1)C1OCCN(C1)C(=O)c1sc2c(c1)CCC2	PC-id_86821172	347.859	JDAPZJSBQXKZDQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-097496
Clc1ccc(cc1)C1CSCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318087961	347.862	JWYYKMFZEFCLKL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-097497
Clc1ccnc(c1)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_320191806,MCULE-4843023234	347.862	RPFLPZGUVCFOTF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-097498
O=C(c1cc2c(s1)CCC2)N1CCN(c2cccc(Cl)n2)CC1	PC-id_71939409,EMOLS-id_45639631,MCULE-9069837361,ZINC22_55468628	347.862	MRMOYCBOMOYKSS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-097499
Clc1nc2SCCn2c1CSCC/N=C(SC)/NC#N	PC-id_50878397	347.91	WECPXDIDUVMYDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097500
CCCCC1=C([Te]c2c1ccs2)CCCC	PC-id_134968804	347.974	BTCQKXFYCSBMCW-UHFFFAOYSA-N	00000001100000000000000010000000000000000000000000000000	25-01-097501
CC(=O)N1CC2=C(C1(C)C)NN=C2NC(=O)I	PC-id_152961307	348.008	UQPVCEAOCODUHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097502
C1CCOC(C1)OCC2=NN3CCCC3=C2I	EMOLS-id_324188730,PC-id_153525120	348.033	MEICLKDQSOMHIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097503
C1CSC2=NC(=C(N21)C#N)NC(=O)CCSC3=CC=CC=C3F	MCULE-2225507386,PC-id_154748384,EMOLS-id_257899961	348.051	YYFNQCYSJOPIPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097504
C1CC2=C(C1)SC(=C2)C(=O)NCC(=O)NC3=NN=C(S3)C4CC4	MCULE-2241468263,PC-id_154747814,EMOLS-id_257886973	348.071	QDRCASNSZXVBRR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-097505
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=C(O3)C(=O)N	MCULE-8029147572,PC-id_154783885,EMOLS-id_317763250	348.078	DHTZVCJARAPLQW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097506
CC(C1=NN=C2N1CCC2)NC(=O)C3=CC=CC(=C3)CS(=O)(=O)C	PC-id_154802636	348.126	ZGJXNTHOZGKGKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097507
CC(C)(C1=NNC2=C1CN(C2)S(=O)(=O)CC3=CC=CC=C3)C(=O)N	PC-id_153863884	348.126	UCPVQJWZNZHSOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097508
CC(C)(C)N1C=C(N=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC	MCULE-8820703243,EMOLS-id_257921860,PC-id_154754426	348.126	HVQDOACCWWMOEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097509
C1C2=C(CN1C(=O)C3=CC=NC=C3)NN=C2NC(=O)C4=CC=C(C=C4)N	PC-id_165180377	348.133	FNASICMDWHBEGO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097510
C1C2=C(CN1C(=O)C3=CN=CC=C3)NN=C2NC(=O)C4=CC=C(C=C4)N	PC-id_165180351	348.133	IEWIMEPECSXRNB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097511
C1CC(C2=C1NN=C2C(=O)NC3=CC=C(C=C3)C4CNCCO4)(F)F	PC-id_164898291	348.14	OGGXKYVSCAIQHQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-097512
CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)I	SCHEMBL19312039	348.14	XELIUZULIUPRNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097513
C1CC(CCC1CN2CCN3C2=C(C(=N3)C(F)(F)F)C(=O)N)CF	PC-id_161443651	348.157	VZPORMYOQZODES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097514
CC1(CCN2C1=C(N=C2)/C=C/C(=O)N/C(=CC4=CC=CC=C4)/C(=O)N3)C	PC-id_147764740	348.159	HETSLMTVLZZGMH-XCMCHEKJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097515
Brc1c2n(CCC2C(=O)O)c(c1C)C(=O)c1ccccc1	PC-id_20405077,SCHEMBL11007446	348.191	DRAFQBKLLYQEHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097516
Brc1c2n(CCC2C(=O)O)c(c1)C(=O)c1ccc(cc1)C	SCHEMBL11003888,PC-id_20405055	348.191	GZERJTNJOZLZGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097517
Brc1c2n(CC(C2C(=O)O)C)c(c1)C(=O)c1ccccc1	PC-id_20404962,SCHEMBL11006225	348.191	YGKHFSLZLGKPRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097518
Brc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1ccccc1	SCHEMBL11001884,PC-id_12915922	348.191	XAJDFWCAMVUHJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097519
Brc1ccc(CC2c3c([nH]c(c3)C(=O)OC)C(=O)C2)cc1	SCHEMBL1004846,PC-id_66873760	348.191	QWZDSFCYDCXWQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097520
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cc1	SCHEMBL11604176,PC-id_20351648	348.191	UEWFLKXGMDNBAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097521
Brc1cc(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)ccc1	SCHEMBL11602531,PC-id_20351659	348.191	HLYUATXQZWZWAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097522
Brc1c(C(=O)c2n3CCC(c3cc2)C(=O)OC)cccc1	SCHEMBL11007628,PC-id_20404980	348.191	OOQUBYAPKRDORV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097523
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccccc1	PC-id_13068180,SCHEMBL10935135	348.191	ZELKENUFVPWSRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097524
Brc1cnc(nc1)C1CN(C1)C(=O)c1occ2c1CCC2	EMOLS-id_319400754	348.195	DZUJZTHMJMUVRD-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-097525
Brc1cnc(nc1)C1CN(C1)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319390870	348.198	NTXVAWTXCJJJFS-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-097526
Brc1cnc(nc1)C1CN(C1)C(=O)c1cnc2n1CCC2	EMOLS-id_319505281	348.198	DBPALZMSAVNDLU-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-097527
Brc1cnc(nc1)C1CN(C1)C(=O)c1cnn2c1CCC2	EMOLS-id_319628453	348.198	GHQABPFMIHBQFB-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-097528
Brc1cnc(nc1)C1CN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319655671	348.198	LHTYETDXESMJQM-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-097529
CC(=O)N1C2=C(CNC2(C)C)C(=N1)NC(=O)C3(CCC3)[Si](C)(C)C	PC-id_146735487	348.198	RJBRFUUNSORXJF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-097530
CC(=O)N1C(=C2CNC(C2=N1)(C)C)NC(=O)C3(CCC3)[Si](C)(C)C	PC-id_153034629	348.198	VEMKZVOSIKEATP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-097531
COc1ccc(c(c1Cl)Cl)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_316460622,MCULE-1679940742	348.205	DOGWPRLTLYARMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097532
c12CN(Cc1sc(Br)c2C(=O)O)C(=O)OC(C)(C)C	MCULE-4940413435,EMOLS-id_331063332	348.213	NTOACHAEKODUEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097533
CC1CCc2c1c(nn2Cc1c(F)ccc(C)c1Br)C#N	EMOLS-id_331019255,MCULE-4747658040	348.213	YYAWDSIEWQDWRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097534
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(C#N)c12	MCULE-1098066984,EMOLS-id_331004081	348.213	YMEAILWPRZXORO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097535
CC(C)(C)OC(=O)N1Cc2sc(C(=O)O)c(Br)c2C1	MCULE-5551789179,ZINC22_309863416,EMOLS-id_84836158,PC-id_122156996	348.213	KLCHQUAJNIIUDX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097536
CCC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)OC	EMOLS-id_319974519,MCULE-7904923148	348.213	FQRJYKBZEUSKBT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097537
Brc1ccc(nc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_62952692	348.218	SBOURTZZOMVCAZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097538
Brc1ncc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_66463490	348.218	KZJUQFXGWJCLOI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097539
N#Cc1c(NC(=O)c2cccc(n2)Br)sc2c1CCC2	PC-id_103889516	348.218	LGQFRSIOZUPOEV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097540
N#Cc1c(NC(=O)c2cccnc2Br)sc2c1CCC2	PC-id_103758836	348.218	STAZZSPVMYNGPN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097541
N#Cc1c(NC(=O)c2ccnc(c2)Br)sc2c1CCC2	PC-id_103758837	348.218	OYCLJUMZJOMTFP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097542
N#Cc1c(NC(=O)c2cncc(Br)c2)sc2c1CCC2	CoCoCo_3268206,EMOLS-id_29949259,ZINC22_40457572,MCULE-3254420075,PC-id_45793419	348.218	JPOYYPUYLIYZGL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097543
N#Cc1c(NC(=O)c2ncccc2Br)sc2c1CCC2	PC-id_107518051	348.218	UCUCDJDXAAHGDZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097544
Brc1c2C(CCc2[nH]c1C(=O)OC)CCc1ccccc1	SCHEMBL1003766,PC-id_59180164	348.234	DFTKNDRCBRRZDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097545
Brc1cc(C)c(c(c1)C(=O)NCc1n[nH]c2c1CCC2)C	MCULE-2982151068,EMOLS-id_320192239	348.238	MUAKEFRYZCMZMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097546
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(Br)c2)C)n1	EMOLS-id_331034633,MCULE-2133779174	348.238	BWQHHEJPPOJXCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097547
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2Br)C)n1	MCULE-8761677426,EMOLS-id_331036425	348.238	ZIHBOOITYAZWDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097548
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2C)Br)n1	MCULE-8501608545,EMOLS-id_331037448	348.238	DCQGDUGCNKXNIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097549
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)cc(Br)c2)n1	EMOLS-id_331034889,MCULE-6068653687	348.238	GTQXVJNVMJOJND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097550
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(C)c2Br)n1	EMOLS-id_331036937,MCULE-4627669538	348.238	BDOQEPDKCUSKOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097551
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(C)c2)Br)n1	EMOLS-id_331037704,MCULE-5045371679	348.238	POMLAWSKGFJLMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097552
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(C)ccc2Br)n1	MCULE-1138871200,EMOLS-id_331036681	348.238	VGENVWVLKHTIEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097553
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)C	MCULE-3567561414,EMOLS-id_331020722	348.238	YFWBCLIPGGBXGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097554
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1Br)C	MCULE-8598074871,EMOLS-id_331018419	348.238	PWCFDRSEFCXBCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097555
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1C)Br	EMOLS-id_331019442,MCULE-7128043473	348.238	KXTOAVNGXMTXNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097556
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)cc(Br)c1	MCULE-1751753180,EMOLS-id_331020978	348.238	VDCNJHHFGBRHSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097557
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(C)c1)Br	MCULE-5302304986,EMOLS-id_331019698	348.238	TUHSFLSFHDSCNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097558
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(C)ccc1Br	MCULE-6056839112,EMOLS-id_331018675	348.238	ACYJMCAZIDYYQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097559
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(C)c1Br	MCULE-8655370145,EMOLS-id_331018931	348.238	BQJQQKOVEVAZFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097560
Cc1cc(C)c(c(c1)C(=O)NCc1cnc2n1CCC2)Br	EMOLS-id_320246477,MCULE-2704110705	348.238	QLTSRSJTPPFQKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097561
CCc1cc(ccc1Br)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318824227	348.238	RFYFFXPBGAUHRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097562
CCc1ccc(cc1C(=O)NCc1n[nH]c2c1CCC2)Br	EMOLS-id_318944505	348.238	UDERHHCJPILACX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097563
CCC(c1ccccc1)NC(=O)c1c(Br)nc2n1CCC2	MCULE-9242891153,EMOLS-id_276231983	348.238	XLZYZPHLPZZWJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097564
CC[C@@H](NC(=O)c1c(Br)nc2n1CCC2)c1ccccc1	ZINC22_585140365	348.238	XLZYZPHLPZZWJK-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097565
CC[C@H](NC(=O)c1c(Br)nc2n1CCC2)c1ccccc1	ZINC22_585140370	348.238	XLZYZPHLPZZWJK-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097566
O=C(c1cc(Br)c(cc1C)C)NCc1cnc2n1CCC2	EMOLS-id_319147590	348.238	HVGKSVBUJZPKQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097567
O=C(c1c(C)ccc(c1C)Br)NCc1n[nH]c2c1CCC2	EMOLS-id_319348625	348.238	NMGOOXJYXJVGAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097568
O=C(Cc1ccc(c(c1)Br)C)NCc1cnc2n1CCC2	EMOLS-id_318963000	348.238	AGBSTYBRXVAZTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097569
O=C(C(c1ccc(cc1)Br)C)NCc1cnc2n1CCC2	EMOLS-id_319486929	348.238	HLQKDJREJYUUBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097570
O=C(Cc1ccc(cc1Br)C)NCc1cnc2n1CCC2	EMOLS-id_319525632	348.238	OUOORIUXGZVAQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097571
O=C(Cc1ccc(cc1Br)C)NCc1n[nH]c2c1CCC2	MCULE-4351171782,EMOLS-id_320219480	348.238	GPKSBQLEFFQJED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097572
O=C(Cc1ccc(cc1C)Br)NCc1cnc2n1CCC2	EMOLS-id_318868939	348.238	UZLLNVNIBMJNIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097573
O=C(Cc1cccc(c1C)Br)NCc1cnc2n1CCC2	MCULE-6159924527,EMOLS-id_320098072	348.238	ATFPUFAIYMJDOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097574
O=C(NCc1cnc2n1CCC2)CCc1cccc(c1)Br	EMOLS-id_319050628	348.238	DPOIWBLCFWEASF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097575
O=C(NCc1n[nH]c2c1CCC2)CCc1ccccc1Br	EMOLS-id_318954702	348.238	QSXWACBTTATRGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097576
O=C(NCc1n[nH]c2c1CCC2)CCc1ccc(cc1)Br	EMOLS-id_319050730	348.238	COJMUGSJKKVJHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097577
O=C(NCc1n[nH]c2c1CCC2)CCc1cccc(c1)Br	EMOLS-id_319278757	348.238	QAHXXQHRDMNVRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097578
Brc1ccc(s1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316408071,MCULE-1695228956	348.239	WZRVOSHELJKFIB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097579
Cc1ccc(S(=O)(=O)N2CCn3ncc(Br)c23)s1	ZINC22_585122412,MCULE-8866854167,EMOLS-id_177344463	348.239	APUDELOGVVIVIV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097580
Cc1cc(sc1Br)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316726002	348.239	KXAAMKVLCJDPJV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097581
Cc1csc(S(=O)(=O)N2CCn3ncc(Br)c23)c1	ZINC22_585122448,MCULE-2027934635,EMOLS-id_177344478	348.239	ICOBOSBGQFNUQM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097582
C1(C)(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)CC1(Cl)Cl	SPECS-id_AK-968/15361442,EMOLS-id_2195816,TIMTEC314713,MCULE-2815601504,PC-id_2931004	348.245	MOSFMEWHKFZHQL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-097583
COC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCC2	CoCoCo_896422,ZINC22_2088842,PC-id_1746591	348.245	MOSFMEWHKFZHQL-ZDUSSCGKSA-N	00100010100000000000000010000000000000000000000000000000	25-01-097584
COC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCC2	ZINC22_2088843,PC-id_1746592,CoCoCo_896423	348.245	MOSFMEWHKFZHQL-CYBMUJFWSA-N	00100010100000000000000010000000000000000000000000000000	25-01-097585
c12CN(Cc1sc(OC)c2CBr)C(=O)OC(C)(C)C	MCULE-1427222034,EMOLS-id_331063587	348.256	RFQHVVLRRDSUEQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097586
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)c(sc2Cl)Cl	SCHEMBL9186980,PC-id_18947062	348.268	DULFAWOOCIDQGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097587
FC(Oc1ccc(cc1C(F)(F)F)NC1CC(n2c1ncn2)C)F	EMOLS-id_258183894,MCULE-7332196495	348.271	TYWLSFUQYDEKAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097588
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1CC(C2)(F)F	SCHEMBL19729837	348.275	QGLBLSSJIHNBQD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-097589
CC(Cc1ccccc1Br)NC(c1cc2n(n1)CCC2)C	EMOLS-id_318170582	348.281	OXZUXMGUMOLZSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097590
n12c(=O)c(=Cc3ccc(N(=O)=O)s3)sc1nc(C(F)(F)F)n2	MCULE-3470426742	348.281	QMNHUKDOBHKPGN-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-097591
[O-][N+](=O)c1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)s1	EMOLS-id_324908044	348.281	QMNHUKDOBHKPGN-HYXAFXHYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-097592
s1c2CCCc2cc1C(=O)NNc1c(F)c(F)c(F)c(F)c1F	PC-id_9426174	348.291	WPGLBXKUENEUQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097593
Cc1c(n2CCCc2c1C(=O)C(=O)O)C(=O)Nc1cc(c(cc1)F)F	PC-id_134285217,SCHEMBL19900930	348.301	VRFWTMLIWOTSOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097594
Cc1c(n2CC(Cc2c1C(=O)C(=O)O)F)C(=O)Nc1ccc(cc1)F	SCHEMBL20238962,PC-id_134586628	348.301	QHCOXWZBDJAKNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097595
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)O)F)C(=O)Nc1ccc(cc1)F	SCHEMBL19920824,PC-id_134303098	348.301	QHCOXWZBDJAKNT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097596
O=c1[nH]cc(cc1NS(=O)(=O)c1cnc2n1CCC2)C(F)(F)F	EMOLS-id_97705379	348.301	RYKXTIMFAJFNAY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-097597
OC(=O)C(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)F)F	PC-id_139434832,SCHEMBL21296659	348.301	VAHQSPNDFPNCGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097598
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)NC)C(=O)OC(C)(C)C	EMOLS-id_324350063,MCULE-1274059598	348.321	BHHWJRFNHDJFES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097599
O=C(N1Cc2c(C1)n[nH]c2NC(=O)c1ccccn1)Nc1ccccc1	SCHEMBL2916418,PC-id_68439936	348.359	JCEWBFSGZOCIHT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097620
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nc(n2)C)C)c1ncncn1	PC-id_88983254	348.325	ZERHGGFZMHEGTE-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-097600
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nnc2C)C)c1ncncn1	PC-id_88873625	348.325	KNJLYSYJIVUCQR-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-097601
n12N=C(/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncncn3)/c1nc(n2)C)C	PC-id_58113688	348.325	VAQPERGTNLPZSE-JAIQZWGSSA-N	00000011100000100001100010000000000000000000000000000000	25-01-097602
n12N=C(/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncncn3)/c1nnc2C)C	PC-id_58090628	348.325	LHZPVWZSKOMJTH-JAIQZWGSSA-N	00000011100000100001100010000000000000000000000000000000	25-01-097603
n12N=C(C(=NNc3n(nc(c3[N+]#[C-])C)c3ncncn3)c1nnc2C)C	PC-id_76663851	348.325	LHZPVWZSKOMJTH-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-097604
COc1cc(NC(=O)Nc2nc3n(c2C(=O)OC)CCC3)cc(c1)F	EMOLS-id_319452328	348.329	PQWVXOZTBNJIDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097605
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)O	PC-id_23765989	348.331	GRPNECOWZVSOMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097606
c1(sc2c(CCC2)n1)NC(=O)c1cc(cc(c1C)N(=O)=O)N(=O)=O	PC-id_3361022,MCULE-6940741806,EMOLS-id_334663129	348.334	VDXUEEKGNUYUSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097607
c1(sc2c(CCC2)n1)NC(=O)c1cc(c(c(c1)N(=O)=O)C)N(=O)=O	EMOLS-id_334663641,MCULE-1472142374	348.334	BMUJYMMNQGVWDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097608
CCc1nc2s/c(=Cc3cc(OC)c(O)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324844267	348.334	VSPNGMCTFZQCIL-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-097609
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CC	MCULE-2133101650	348.334	VSPNGMCTFZQCIL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-097610
O=C(N1CC(C1)(O)C(F)(F)F)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_318997542	348.341	NORKNKFSVXXMOE-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-097611
c1(NC(=O)COc2coc(CF)cc2=O)sc2c(CCC2)c1C#N	MCULE-2270676557	348.349	YSWNNZGRWIRTJH-UHFFFAOYSA-N	00000010100000100000000010000000000000000000000000000000	25-01-097612
N#CCS(=O)(=O)c1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_319602021	348.352	XNCJGUUATYYVDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097613
s1c2c(CCC2)c(c1NC(=O)c1n(ncc1C(=O)[O-])C)C(=O)OC	PC-id_51853789	348.354	BSVYYNSIOWNBKW-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-097614
O=C(N1CCn2nc(NC(=O)Oc3ccccc3)cc12)c1ccccc1	PC-id_58440913,SCHEMBL12307390	348.355	GFAUKXLTPCYWIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097615
O=C(NCc1ccccc1)c1nc2CN(Cc2o1)C(=O)c1cccnc1	PC-id_97525798,EMOLS-id_44379904,ZINC22_96266036	348.355	VEWLIDOZEPMPTN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097616
O=C(c1ccncc1)NN1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1	PC-id_141308585	348.359	SZLQTVZLZWKLOS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097617
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1cccnc1)Nc1ccccc1	SCHEMBL2914079,PC-id_68439053	348.359	GPJIWWHSUMNWEI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097618
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccncc1)Nc1ccccc1	SCHEMBL2923343,PC-id_68442357	348.359	FPZFGAQORQPBBD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097619
n12N=C(C(C)(C)C)C(=N/N=C/[N-]C(=C=[N-])C(=N3)C#N)c1nnc2C(C)C	PC-id_59703006	348.365	OREMLAUGTKLWNQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-097621
O=C(N1CCn2c1ncc2)Cc1sc(nc1C)SC(F)(F)F	EMOLS-id_316581583	348.367	HRIOXNSSKYWANZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097622
Fc1ccccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-6918126039,EMOLS-id_31548304,PC-id_46861303	348.37	UERHLHJSPNIPNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097623
Fc1cccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	MCULE-3735142574,PC-id_46861304,EMOLS-id_31548306	348.37	WRKGZCHELHNAAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097624
Fc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	MCULE-6716172089,EMOLS-id_31548308,PC-id_46861305	348.37	BJUBOKIPHLYIJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097625
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccccc1F	ZINC22_51364505,PC-id_52340456	348.37	UERHLHJSPNIPNJ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097626
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccccc1F	ZINC22_51364506,PC-id_52340457	348.37	UERHLHJSPNIPNJ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097627
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cccc(F)c1	ZINC22_51364507,PC-id_52340458	348.37	WRKGZCHELHNAAU-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097628
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cccc(F)c1	ZINC22_51364508,PC-id_52340459	348.37	WRKGZCHELHNAAU-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097629
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(F)cc1	PC-id_52340460,ZINC22_51364509	348.37	BJUBOKIPHLYIJC-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097630
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(F)cc1	ZINC22_51364510,PC-id_52340461	348.37	BJUBOKIPHLYIJC-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097631
c1(NC(=O)C(=O)NCc2ccco2)sc2c(CCC2)c1C(=O)OC	PC-id_2985509,STOCK6S-05943,MCULE-4820389088,ZINC22_4838595,EMOLS-id_2526061,CoCoCo_580416	348.374	XDKFIKZDRPNQOY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097632
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)o1	ZINC22_20865849,EMOLS-id_23535756,CoCoCo_3112106,PC-id_3668221,MCULE-3914292766	348.374	AZUOYWKWLLFSRI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097633
CC(C(=O)N)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	MCULE-8936380286,EMOLS-id_23976967,PC-id_42894671	348.374	RZOXYIHSGAACTD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097634
C[C@@H](OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)C(=O)N	CoCoCo_2889325,PC-id_41733631,ZINC22_10935635	348.374	RZOXYIHSGAACTD-MRVPVSSYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097635
C[C@H](OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)C(=O)N	ZINC22_10935629,PC-id_41733630,CoCoCo_2889324	348.374	RZOXYIHSGAACTD-QMMMGPOBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097636
O=C(COC(=O)c1cc2c(s1)CCC2)NC(=O)NCc1ccco1	PC-id_7291882,CoCoCo_2840842,MCULE-6603386223,ZINC22_4581466,EMOLS-id_3610451	348.374	PXVQTDDFMLAYJB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097637
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)NC(=O)OCC	PC-id_7521529	348.374	WJBYSYKXQTXMTQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097638
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCCC(=O)N	PC-id_18269980	348.374	HSEMJWJJPRLGAP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097639
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(occ1)C)C(=O)N	PC-id_8967396	348.374	ZADVKCWWTSJQMO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097640
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2n[nH]c3c2CCC3)no1	EMOLS-id_316916232,MCULE-6965206598,ZINC22_279704352	348.375	WIFJXPMEGRUVID-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097641
CC(=O)c1ccc(cc1)C(=O)Nn1c2c(CN(C2)S(=O)(=O)C)cn1	PC-id_91385736	348.377	PENLXHSZPQGQSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097642
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ncnc(c1)OC	PC-id_121167434	348.377	KGNXVMFODCQCCL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-097643
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3CCCc23)cc1	MCULE-9454300115,EMOLS-id_335127939	348.377	RDGNTTXDBGGWEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097644
O=C(c1ccccc1C(=O)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2915460,PC-id_68439624	348.377	WRJBWWJTTBCQSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097645
O=C(c1ccc(cc1)C(=O)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2923741,PC-id_68442534	348.377	OJHDTWPARHWSMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097646
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cn(nc1)C)C(=O)N	PC-id_16575752	348.377	LCSUVPHTMDQOAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097647
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1F)C	MCULE-7929637451,EMOLS-id_330980797	348.387	REKGZFBFYNXKNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097648
c1(NC(=O)C(C)Oc2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	MCULE-3057947630,EMOLS-id_1391675,BAS-02505026,ChEMBL-DNDi_CHEMBL8010-8449,PC-id_606166	348.392	KFCUALOOUJMECD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097649
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_255860,PC-id_673011,ZINC22_34918	348.392	KFCUALOOUJMECD-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-097650
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_34919,PC-id_673012,CoCoCo_255859	348.392	KFCUALOOUJMECD-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097651
CCOC(=O)c1c2CCCc2sc1NC(=O)c1cccc(F)c1N	MCULE-7362929670,EMOLS-id_328099121	348.392	FJYQPTLTNSUHGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097652
CCOC(=O)c1c2CCCc2sc1NC(=O)c1cc(F)ccc1N	EMOLS-id_328093489,MCULE-4033906586	348.392	CAPSSMZZHVBKTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097653
COCCNC(=O)c1sc2c(c1)N(CC2)C(=O)c1ccc(cc1)F	PC-id_97524487	348.392	WISCCFWLAKJVRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097654
COC(=O)c1c(NC(=O)CNc2cccc(F)c2)sc2c1CCC2	PC-id_16385290,ZINC22_9252551,MCULE-5595973413,CoCoCo_3370334,EMOLS-id_11854377	348.392	WUPNEGVOIHZPRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097655
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H](Oc1c(F)cccc1)C	PC-id_9372575	348.392	LFWBFJPCZNSSMS-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-097656
s1c2CCCc2cc1C(=O)NNC(=O)[C@H](Oc1c(F)cccc1)C	PC-id_9372581	348.392	LFWBFJPCZNSSMS-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097657
s1c2CCCc2cc1C(=O)NNC(=O)C(Oc1c(F)cccc1)C	PC-id_84994560	348.392	LFWBFJPCZNSSMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097658
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC)c1ccc(F)cc1)C(=O)N	PC-id_52434252	348.392	KTSZKQMJYFARSA-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097659
s1c2c(CCC2)c(c1NC(=O)[C@H](OC)c1ccc(F)cc1)C(=O)N	PC-id_52434253	348.392	KTSZKQMJYFARSA-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097660
s1c2c(CCC2)c(c1NC(=O)C(OC)c1ccc(F)cc1)C(=O)N	PC-id_75846914	348.392	KTSZKQMJYFARSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097661
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OC	PC-id_3479692	348.394	OQGVFRQCGIFXFF-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-097662
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OC	PC-id_7459855	348.394	OQGVFRQCGIFXFF-NXEZZACHSA-M	00000010100011000000000010000000000000000000000000000000	25-01-097663
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OC	PC-id_7459857	348.394	OQGVFRQCGIFXFF-VHSXEESVSA-M	00000010100011000000000010000000000000000000000000000000	25-01-097664
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OC	PC-id_7459858	348.394	OQGVFRQCGIFXFF-ZJUUUORDSA-M	00000010100011000000000010000000000000000000000000000000	25-01-097665
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OC	PC-id_7459860	348.394	OQGVFRQCGIFXFF-UWVGGRQHSA-M	00000010100011000000000010000000000000000000000000000000	25-01-097666
c12nc(sc1CN(CCCC)C2=O)NC(=O)Nc1ccccc1F	EMOLS-id_33030446,PC-id_53188491,MCULE-8425749589	348.395	QJNHSVJISBQVEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097667
c12SCCn1cc(CNC(=O)CCNC(=O)c1ccccc1F)n2	PC-id_46992599,ZINC22_55270807,EMOLS-id_31616253,MCULE-7681740788	348.395	XQNUEBRYBLWJFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097668
c1(NC(=O)C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	CoCoCo_5277795,ZINC22_23139589,EMOLS-id_24913589,MCULE-3688420155,PC-id_30862809	348.395	UEGUKOXNZYZFGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097669
c1(NC(=O)CCNC(=O)c2ccc(cc2)F)n(C)nc2CSCc12	MCULE-6225870763,PC-id_134705669,ZINC22_1529158601,EMOLS-id_316156897	348.395	FXOICLDSGBZOEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097670
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(O)ccc(O)c1	MCULE-6709440977,EMOLS-id_328218492	348.395	QJEZHQHDYJSLCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097671
NC(=O)NC(c1ccccc1F)CC(=O)Nc1sc2c(n1)CCC2	PC-id_53516374,MCULE-2689686005,EMOLS-id_35703430	348.395	SNENKRWUPLDLRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097672
NC(=O)N[C@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccccc1F	PC-id_95154169,ZINC22_65575633	348.395	SNENKRWUPLDLRK-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097673
NC(=O)N[C@@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccccc1F	ZINC22_65575635,PC-id_95154170	348.395	SNENKRWUPLDLRK-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097674
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(cc1)C(=O)O	EMOLS-id_322629444,MCULE-2639290397	348.397	MQTIBGCDRUDPOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097675
CCCC(=O)N1CCC(C(=O)N2Cc3n[nH]cc3[C@H]2C(=O)OC)CC1	ZINC22_1875295522	348.397	INCPYXNCUYVACB-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097676
CCCC(=O)N1CCC(C(=O)N2Cc3n[nH]cc3[C@@H]2C(=O)OC)CC1	ZINC22_1875295523	348.397	INCPYXNCUYVACB-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097677
COCCNC(=O)c1cnc2CCC(CNC(=O)[C@@H]3[C@H]4COC[C@@H]34)n12	EMOLS-id_313765824	348.397	KQFNHUSFNGCPNZ-PVPAGCOESA-N	00100010100000000001010010000000000000000000000000000000	25-01-097678
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)[C@@H]1[C@H]3COC[C@@H]13)CC2	ZINC22_1565553100	348.397	KQFNHUSFNGCPNZ-FJJYHAOUSA-N	00100010100000000001010010000000000000000000000000000000	25-01-097679
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)[C@@H]1[C@H]3COC[C@@H]13)CC2	ZINC22_1565553101	348.397	KQFNHUSFNGCPNZ-UUIJZJDISA-N	00100010100000000001010010000000000000000000000000000000	25-01-097680
COC(=O)c1c(NC(=O)N2CC(C2)C2CCOCC2)nc2n1CCC2	EMOLS-id_319604794	348.397	YSDMGNOETWNLMQ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-097681
COC(=O)c1c(NC(=O)N2CCCC2C2CCCO2)nc2n1CCC2	EMOLS-id_319093938	348.397	UVDDSMFPWBLFIZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097682
COC(=O)c1c(NC(=O)N2CCC(C2)C2COCC2)nc2n1CCC2	EMOLS-id_319664117	348.397	XLIZCNJDRSYIAA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097683
COC(=O)c1c(NC(=O)N2CC(C)OC(C2)C2CC2)nc2n1CCC2	EMOLS-id_318981035	348.397	BNLDKIKGQRJFAH-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-097684
COC(=O)c1c(NC(=O)N2CCOC(C2)(C)C2CC2)nc2n1CCC2	EMOLS-id_319403657	348.397	TZDMFYKVSLLNRA-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-097685
COC(=O)c1c(NC(=O)NC2C3CCOC3C2(C)C)nc2n1CCC2	EMOLS-id_319125055	348.397	HOIAYPBGRZTALE-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-097686
COC(=O)c1c(NC(=O)NC2(C)CCOC2C2CC2)nc2n1CCC2	EMOLS-id_319869232	348.397	JRRDSZMJJSKBMN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-097687
COC(=O)c1c(NC(=O)NC2CCOC(C2)C2CC2)nc2n1CCC2	EMOLS-id_319778364	348.397	QKJZHILUQAMJGZ-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-097688
c1(C(=O)NCCc2ccccc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-4450333567,EMOLS-id_316322616	348.398	GTLHILWAEFOAHM-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097689
c1(C(=O)NCCc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316253689,MCULE-5569613215	348.398	WFTKAKNWTTVGOM-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097690
c1(C(=O)N(C)Cc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316326705,MCULE-8869254812	348.398	QUNBTQPEOJWKBW-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097691
c1(C(=O)NCCc2ccccc2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-1723931637	348.398	WFTKAKNWTTVGOM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097692
Cc1cccc(c1)Oc1ccc(nc1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318900320	348.398	UPZVTVBBMYKTNN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097693
Cc1ccc(cc1)Oc1ccc(nc1)C(=O)NCc1cnc2n1CCC2	MCULE-5458923732,EMOLS-id_320186154	348.398	DCGKOODXEKJEFO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097694
Cc1ccc(cn1)OCc1cccc(c1)C(=O)NC1CCn2c1ncc2	MCULE-2863942340,EMOLS-id_316900456	348.398	QBPVXKDVGJOBDX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097695
Cc1ccc(nc1)Oc1ccc(cc1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319281502	348.398	USZWLZZDOUZEFK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097696
C/C=C/C=N/c1c(C(=O)Nc2ccc(cc2)OC)n2c(c1C#N)CCC2	CoCoCo_5763425,PC-id_5470027,NSC696788	348.398	OHPVDGMZMHBWRG-DMRDCZSUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097697
C/C=CC=N/c1c(C(=O)Nc2ccc(cc2)OC)n2c(c1C#N)CCC2	CoCoCo_5763426	348.398	OHPVDGMZMHBWRG-LEUXVTJWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097698
C/C=C/C=Nc1c(C(=O)Nc2ccc(cc2)OC)n2c(c1C#N)CCC2	CoCoCo_5763427	348.398	OHPVDGMZMHBWRG-UGKRVIIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097699
C/C=CC=Nc1c(C(=O)Nc2ccc(cc2)OC)n2c(c1C#N)CCC2	CoCoCo_5763428	348.398	OHPVDGMZMHBWRG-WLNAWZNASA-N	00000010100000110000000010000000000000000000000000000000	25-01-097700
C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nnc2n1CCC2	PC-id_95200829,ZINC22_67677630	348.398	KGMNDDREJSFYQQ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097701
C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nnc2n1CCC2	ZINC22_67677627,PC-id_95200827	348.398	KGMNDDREJSFYQQ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097702
COc1ccc(c2ccc(C)c(NC(=O)c3cc4n(n3)CCC4)c2)cn1	MCULE-7659493000,ZINC22_295969062,EMOLS-id_99133444	348.398	KHJUPPYLOAHNHK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-097703
COc1ccc(cc1c1ccccn1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319770194	348.398	PGNVLEHKFDDMFY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-097704
COc1ccc(cc1c1ccccn1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319684162	348.398	XEDNDMNMDCUQAX-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-097705
COc1ccc(cc1)c1cncc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_318998995	348.398	UZPDSUOVKFZTIS-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-097706
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2916396,PC-id_68439929	348.398	ORCBSWZSPNYSLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097707
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2917478,PC-id_68440328	348.398	YXWCAICCJXNCDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097708
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2924395,PC-id_68442810	348.398	FOGMOLXMRPCFCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097709
COc1ccc(cc1NC(=O)c1n(C)nc2c1CCC2)c1cccnc1	MCULE-9918254941,EMOLS-id_319859363	348.398	UYMUUFCFSQAHAO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-097710
COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1c1ccccc1	EMOLS-id_35748553,PC-id_49375062,MCULE-5571940808,ZINC22_50557740	348.398	MXWSMDNULZFKMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097711
Oc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68441987,SCHEMBL2922445	348.398	GHLQAHBSSGYNKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097712
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)NCCc1ccccc1	MCULE-1218602001	348.398	GTLHILWAEFOAHM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097713
O=C(c1cc(c2ccccc2)c([nH]c1=O)C)NCc1cnc2n1CCC2	EMOLS-id_320202237,MCULE-9323445697	348.398	QLMUUGULVRERLV-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-097714
O=C(c1ccc(cc1C)Oc1ccccc1)NC1CC(n2c1ncn2)C	EMOLS-id_316631871	348.398	TZJAPEVNCHWIKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097715
O=C(c1ccc(cc1)Oc1ccccc1)NC(c1nnc2n1CCC2)C	EMOLS-id_36933175,PC-id_56819868,MCULE-9571996892	348.398	KGMNDDREJSFYQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097716
O=C(c1ccc(c(c1)Oc1ccncc1)C)NCc1cnc2n1CCC2	EMOLS-id_319348143	348.398	OTQIRKPWDZWEEP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097717
O=C(c1ccc(c(c1)Oc1ccncc1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319527293	348.398	ZWVUMHDIHGENTH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097718
O=C(c1ccccc1O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68441988,SCHEMBL2922446	348.398	LKONEMYZSRWBJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097719
O=C(c1ccc(cn1)Oc1ccccc1C)NCc1cnc2n1CCC2	MCULE-2951484126,EMOLS-id_320119492	348.398	FHRNHSMJJBGOBL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097720
O=C(c1cccn(c1=O)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_318850396	348.398	OIUCPBSNQAKZKK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097721
O=C(c1nc2c(o1)CN(C2)Cc1cccnc1)NCCc1ccccc1	PC-id_97525780	348.398	UHHKEVYCFBGXGP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097722
O=C(C(c1ccccc1)(c1ccccc1)O)NCc1nnc2n1CCC2	PC-id_110882990	348.398	XZMXJFZMLQSVRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097723
O=C(C(c1ccccc1)Oc1ccccc1)NCc1nnc2n1CCC2	PC-id_51088913,EMOLS-id_32060084,MCULE-3772561583	348.398	HMZMGTMRVPUQOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097724
O(CC(=O)Nc1n[nH]c2CN(Cc12)Cc1ccccc1)c1ccccc1	SCHEMBL2920682,PC-id_68441375	348.398	IJSNXIPXJUDGDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097725
O=C(Nc1ccc(OC)cc1)c1n2CCCc2c(c1/N=C/C=CC)C#N	PC-id_393861	348.398	OHPVDGMZMHBWRG-HZDHDOLOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097726
O=C(NC1CCn2c1ncc2)Cc1cccc(c1)OCc1cccnc1	MCULE-4090117616,EMOLS-id_316899688	348.398	BWOIPQOYDAIQLP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097727
O=C(NCc1nnc2n1CCC2)c1cc(Cc2ccccc2)ccc1O	ZINC22_58343326,MCULE-6499172095,EMOLS-id_32168187,PC-id_51107512	348.398	VOTQMGMBYBNWJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097728
O=C(NCc1nnc2n1CCC2)c1cccc(OCc2ccccc2)c1	ZINC22_14136863,PC-id_17450227,CoCoCo_4474334,EMOLS-id_13493562,MCULE-3521397099	348.398	RHTKAHWEUCWFNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097729
O=C(NCc1nnc2n1CCC2)[C@@H](Oc1ccccc1)c1ccccc1	ZINC22_56373676,PC-id_94648716	348.398	HMZMGTMRVPUQOQ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-097730
O=C(NCc1nnc2n1CCC2)[C@H](Oc1ccccc1)c1ccccc1	ZINC22_56373677,PC-id_94648717	348.398	HMZMGTMRVPUQOQ-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097731
O=C(N(Cc1n[nH]c2c1CCC2)C)c1c(=O)[nH]c(cc1)c1ccccc1	PC-id_72896980	348.398	QMXUQRFQHBRJSY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-097732
O=C(NCCc1nnc2n1CCC2)c1ccc(Oc2ccccc2)cc1	MCULE-2206575876,ZINC22_69951148,PC-id_53534528,EMOLS-id_36626453	348.398	NTQBJXNCNXRHBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097733
OC(=O)c1ccc(cc1)CNc1ccc(cc1)Cc1nnc2n1CCC2	PC-id_122033402	348.398	LCHXLGQGHQEEFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097734
OC(=O)c1cccc(c1)CNc1ccc(cc1)Cc1nnc2n1CCC2	PC-id_122033403	348.398	ZCDGLHOATXOUFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097735
c1(C(=O)NCc2c3CCCc3[nH]n2)cn(nn1)CC=Cc1ccccc1	MCULE-5016169587,PC-id_72081083	348.402	FMMFYNKBJROMSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097736
Cc1ccc(nn1)Nc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319716273	348.402	ITCJVPRGAUZWMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097737
Cc1ccc(nn1)Nc1cccc(c1)C(=O)NCc1n[nH]c2c1CCC2	EMOLS-id_319486803	348.402	XTLMZUVAWMAORB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097738
Cc1ccnc(n1)Nc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_319137208	348.402	DEQGBBSXYCUOPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097739
Cc1cnnc(c2cccc(c2)C(=O)NCc2nnc3CCCn23)c1C	MCULE-7698556171,ZINC22_2356149294,EMOLS-id_337804346	348.402	SYEIKDZIYXNCGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097740
Cc1nn(c(c1/C=N/NC(=O)c1[nH]nc2c1CCC2)C)c1ccccc1	CoCoCo_138584,CoCoCo_138586,PC-id_9556654	348.402	IJCCBGHBIVNWDV-RGVLZGJSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097741
Cc1nn(c(c1/C=NNC(=O)c1[nH]nc2c1CCC2)C)c1ccccc1	CoCoCo_138587,CoCoCo_138585	348.402	IJCCBGHBIVNWDV-JAIQZWGSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097742
CC(c1cnc(nc1C)c1ccncc1)NC(=O)c1n[nH]c2c1CCC2	MCULE-6565477392,EMOLS-id_20680893,PC-id_45235846	348.402	GMICUUCJKOPWDU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-097743
Cc1nn2CCN(C(=O)OC(C)(C)C)c2c1I	MCULE-3297267418,EMOLS-id_295587428	349.168	LGXXSSZQDKKBEE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098189
C[C@H](c1cnc(nc1C)c1ccncc1)NC(=O)c1[nH]nc2c1CCC2	CoCoCo_1541112,CoCoCo_1541110	348.402	GMICUUCJKOPWDU-GFCCVEGCSA-N	00000010100000101001100010000000000000000000000000000000	25-01-097744
C[C@@H](c1cnc(nc1C)c1ccncc1)NC(=O)c1[nH]nc2c1CCC2	CoCoCo_1541113,CoCoCo_1541111	348.402	GMICUUCJKOPWDU-LBPRGKRZSA-N	00000010100000101001100010000000000000000000000000000000	25-01-097745
CNc1nccnc1c1cccc(c1)C(=O)NCc1n[nH]c2CCCc12	ZINC22_534671562,MCULE-2855103349,EMOLS-id_177499088,PC-id_122571430	348.402	MWVBFXFTPVYOOW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097746
n1n(c2ccccc2)c(C)c(C=NNC(=O)c2c3CCCc3[nH]n2)c1C	MCULE-6852143269,PC-id_5406186	348.402	IJCCBGHBIVNWDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097747
NC(=NCc1nnc2n1CCC2)Nc1cccc(c1)Oc1ccccc1	PC-id_111597998	348.402	FSDDUKSAQPLJNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097748
o1c(CN(c2ccc(/N=C/c4n(N=C3C)nc(n4)C)cc2)CC)ccc1	PC-id_20606897	348.402	PZHQCRZZOXPOKJ-DYTRJAOYSA-N	00000011101000110001000010000000000000000000000000000000	25-01-097749
O=C(c1cccc(c1)NCc1ccccn1)NC1CC(n2c1ncn2)C	EMOLS-id_316674823	348.402	CNWWVXHJTFGKTM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097750
O=C(c1ccncc1)Nc1ccc(cc1)CNC1CC(n2c1ncn2)C	MCULE-4281907788,EMOLS-id_319980349	348.402	KLWYBHWMSINVLR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097751
O=C(c1nnn(c1)C/C=Cc1ccccc1)NCc1[nH]nc2c1CCC2	CoCoCo_1222918,CoCoCo_1222916	348.402	FMMFYNKBJROMSQ-YVMONPNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-097752
O=C(NC(c1ccncc1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_56825356,EMOLS-id_36947415,MCULE-9417400281	348.402	QBLKFMRUCLMYHQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097753
O=C(NCc1nnc2n1CCC2)N[C@H](c1ccccc1)c1ccncc1	PC-id_95570925,ZINC22_71799377	348.402	QBLKFMRUCLMYHQ-GOSISDBHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097754
O=C(NCc1nnc2n1CCC2)N[C@@H](c1ccccc1)c1ccncc1	ZINC22_71799376,PC-id_95570924	348.402	QBLKFMRUCLMYHQ-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-097755
O=C(NCc1n[nH]c2c1CCC2)c1cn(C/C=C/c2ccccc2)nn1	CoCoCo_1222915,CoCoCo_1222917,PC-id_42290106,EMOLS-id_44851819,ZINC22_11936036	348.402	FMMFYNKBJROMSQ-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097756
FC(C1CCC(CC1)S(=O)(=O)NC(c1nnc2n1CCC2)C)F	EMOLS-id_319556006	348.412	INXNMMDRBNARIX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097757
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1F	MCULE-4982934600,EMOLS-id_328217206	348.413	WHVOABZEEODNDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097758
CCOC(=O)/C(=C/OC1C(=C(C(=O)O1)C)C)/C1CCc2c1scc2	PC-id_134358269,SCHEMBL19985050	348.413	POJDWUKPPWSTJT-NTEUORMPSA-N	00000011100000000000000010000000000000000000000000000000	25-01-097759
Fc1ccccc1CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7703936167,EMOLS-id_328215159	348.413	FZJYOQCVHRHGTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097760
Fc1ccc(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-7909192992,EMOLS-id_328216433	348.413	NIIFMCYHNZTQLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097761
c1(NC(=O)c2c(CC)noc2C)sc2c(CCC2)c1C(=O)OCC	PC-id_17174310,MCULE-2883079720,CoCoCo_1075807,TIMTEC563875,ZINC22_13327329,EMOLS-id_13332217	348.417	YAUWMTUUQQGPKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097762
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7803177934,EMOLS-id_334386706	348.417	HRHZLDIVDNPFSU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097763
c1(NC(=O)CCOC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343073,MCULE-7903760297	348.417	QLVHNXOSNNKMSB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097764
CC(C)(C)c1cc(NC(=O)COC(=O)c2cc3c(s2)CCC3)on1	ZINC22_16048562,EMOLS-id_44516798,MCULE-7237278476,PC-id_26919046	348.417	AKPWYPVPNLOLGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097765
CCOc1cc(ccc1NC(=O)c1[nH]c2c(c1)CCC2)S(=O)(=O)C	EMOLS-id_320005220,MCULE-9121987458	348.417	KZNHLPXRIQHBBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097766
CCOC(=O)c1c(NC(=O)CNCc2ccco2)sc2c1CCC2	MCULE-1414561086,CoCoCo_3683541,ZINC22_3237472,PC-id_2355246	348.417	HVWALOICUGXJBY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097767
COc1cccc(/C=C/2Sc3sc(C(=O)C)c(C)[n+]3C2=O)c1O	CoCoCo_5724630,CoCoCo_5724631,PC-id_377903,ZINC22_1637233	348.417	NIERRLMMIRCAGA-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-097768
COc1ccc(CC(=O)Nc2nc3c(s2)CCC3)c(OC)c1OC	ZINC22_9049030,MCULE-2175246521,CoCoCo_4164355,EMOLS-id_11944068,PC-id_17414192	348.417	VTHSQZMFOOUMPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097769
COCCn1/c(=N/C(=O)c2ccccc2OCC)/sc2c1COC2	PC-id_24897844,SCHEMBL3383034	348.417	AVOUNSMDJRAFMR-ZCXUNETKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097770
COC(=O)c1c(NC(=O)CCNCc2ccco2)sc2c1CCC2	PC-id_4575463,ChEMBL-DNDi_CHEMBL1616145,CoCoCo_3790401	348.417	CTUOMTQYNFAKOV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097771
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCS(=O)(=O)O	EMOLS-id_328213617,MCULE-1668076543	348.417	PRTBWEWNZRATGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097772
s1c2c(CCC2)c(c1NC(=O)CN(Cc1occc1)C)C(=O)OC	PC-id_37465416	348.417	WXUALQOSKUMSIA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-097773
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCC=CC1)C(=O)N	PC-id_45678099	348.417	OGQZSNZKVFFJRB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-097774
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC1CCC=C1)C(=O)N	PC-id_84920442	348.417	BOHQFACDEWWUPA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-097775
s1c2c(CCC2)c(c1NC(=O)COC(=O)C[C@@H]1CCC=C1)C(=O)N	PC-id_9065662	348.417	BOHQFACDEWWUPA-JTQLQIEISA-N	00000011100000000000000010000000000000000000000000000000	25-01-097776
s1c2c(CCC2)c(c1NC(=O)COC(=O)C[C@H]1CCC=C1)C(=O)N	PC-id_9065663	348.417	BOHQFACDEWWUPA-SNVBAGLBSA-N	00000011100000000000000010000000000000000000000000000000	25-01-097777
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1CCC=CC1)C(=O)N	PC-id_7932262	348.417	OGQZSNZKVFFJRB-JTQLQIEISA-N	00000010100011000000000010000000000000000000000000000000	25-01-097778
s1c2CCCc2nc1NC(=O)Cc1cc(OC)c(OC)c(OC)c1	PC-id_26723077	348.417	IKMGKCOSXQUMKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097779
c1(sc2c(CCC2)n1)NC(=O)c1ccccc1C(=O)c1ccccc1	MCULE-1789233240,EMOLS-id_334662354	348.418	JZUXYJZNSJHJLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097780
c1(snc2CCCc12)NC(=O)c1ccccc1C(=O)c1ccccc1	MCULE-8502530094,PC-id_54774470	348.418	LTWUCMGWOXTKOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097781
c1(snc2CCCc12)NC(=O)c1ccc(cc1)C(=O)c1ccccc1	PC-id_54774469,MCULE-4731307204	348.418	IEQCDOYRVYCATG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097782
O=C(c1ccc(cc1)C(=O)c1ccccc1)Nc1sc2c(n1)CCC2	SCHEMBL17916714	348.418	VEEGFSRXMDLRQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097783
s1c2C(=O)N(C(Cc3ccccc3)c3ccccc3)C(=O)c2nc1C	PC-id_85635128	348.418	DPGXDNNWQTVIHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097784
c12c(CCC1C(=O)OCC)sc(NC(=O)Cn1c(C)cc(C)n1)n2	MCULE-2365633984,PC-id_49676806,EMOLS-id_30779713	348.42	AFCDQJCVSOQYPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097785
c12SCCn1cc(CNC(=O)c1coc(CN3CCOCC3)c1)n2	EMOLS-id_46640442,MCULE-8342357038,ZINC22_95383711,PC-id_72918428	348.42	UJJNTMWOHZGCQQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-097786
C1Cc2c(C1)[nH]nc2C(=O)NC1CCOCC1OCc1cscn1	PC-id_91774415	348.42	NCVANQJDOFADAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097787
c1(ccnn1C(C)C)C(=O)Nc1sc2c(C(CC2)C(=O)OCC)n1	MCULE-5442611003,PC-id_49676179,EMOLS-id_30776383	348.42	XLHGRWVANFYPIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097788
c1(C(=O)/N=c/2sc(c(C(=O)OC)[nH]2)CC(C)C)c2CCCc2[nH]n1	EMOLS-id_49409031,STOCK7S-36348,ZINC22_95479504,MCULE-5693917842,PC-id_71708763,EMOLS-id_44753040	348.42	TVYXVKJWNVONIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097789
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NS(=O)(=O)CC)C2)n1	MCULE-7065190841,EMOLS-id_316331317	348.42	NVOVLCKVRQXCOT-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097790
c1(C(=O)NCc2ccccc2)cc2n(CC(NS(=O)(=O)CC)C2)n1	MCULE-3066943836	348.42	NVOVLCKVRQXCOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097791
c1(C(=O)NCCc2ccc(cc2)S(=O)(=O)N)c2CCCc2n(C)n1	MCULE-9040426382,PC-id_110389028,EMOLS-id_179745148	348.42	KYIQIVRWWFKCNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097792
c1(C(=O)NCCc2sc3c(CCC3)n2)onc(N2CCOCC2)c1	ZINC22_1772806951,MCULE-1612711453,EMOLS-id_317906593	348.42	MJSNSLYOGSBESQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097793
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(C)s2)n1	MCULE-8136918575	348.42	KBFZRZDSQOJIFB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097794
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2sccc2C)n1	MCULE-4937607865	348.42	RGXNFCCCZBYKQB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097795
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(C)s2)n1	EMOLS-id_316334898,MCULE-9518557248	348.42	KBFZRZDSQOJIFB-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-097796
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2sccc2C)n1	MCULE-4459422815,EMOLS-id_316330809	348.42	RGXNFCCCZBYKQB-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-097797
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3cccs3)C2)n1	EMOLS-id_316333881,MCULE-1875374838	348.42	OEEWQRZVQFXLSG-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-097798
c1(C(=O)NCCOC)cc2n(CC(NC(=O)Cc3cccs3)C2)n1	MCULE-2183965394	348.42	OEEWQRZVQFXLSG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097799
c1(C(=O)NCCOC)cnn2CC(Cc12)NC(=O)c1sccc1C	MCULE-7195153803	348.42	BIYFGVLZJBCRTI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097800
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1sccc1C	MCULE-8466341122,EMOLS-id_316325685	348.42	BIYFGVLZJBCRTI-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-097801
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)Cc3cccs3)Cc12	MCULE-5727744456,EMOLS-id_316323637	348.42	BHYQAFOKPSABOR-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-097802
c1(C(=O)NCCOC)cnn2CC(NC(=O)Cc3cccs3)Cc12	MCULE-4398527997	348.42	BHYQAFOKPSABOR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097803
c1(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c2CCCc2[nH]n1	ZINC22_219897921,MCULE-8324122003,EMOLS-id_55643586	348.42	NCVANQJDOFADAD-ZIAGYGMSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097804
c1(NC(=O)C(=O)N2CCN(CC2)CCO)sc2c(CCC2)c1C#N	ZINC22_20572919,CoCoCo_1105928,PC-id_8029979,MCULE-7673230219,STOCK6S-06302,EMOLS-id_4734094	348.42	PDOWJJQXYMLYNX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097805
c1(NC(=O)C(=O)NCCN2CCOCC2)c(C#N)c2c(s1)CCC2	CoCoCo_6533760,ZINC22_20588767,EMOLS-id_4744363,STOCK6S-13178,MCULE-9397026569,PC-id_8070297,TIMTEC274242	348.42	KVLNTAHVWMCFMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097806
c1(sc2c(CCC2)c1C#N)NC(=O)N1CCN(CC1)C(=O)OCC	MCULE-9972095839,PC-id_8035174,EMOLS-id_4738664,STOCK6S-09327,ZINC22_6670035	348.42	LIFJJLTZCNDPLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097807
c1(sccc1NC(=O)CCN(C)Cc1c2CCCc2[nH]n1)C(=O)O	ZINC22_252482180,PC-id_91838581,MCULE-1207805294,EMOLS-id_55672837	348.42	DACKPRNGQQNGIV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097808
Cc1cc(cc(c1C)S(=O)(=O)N(C)C)C(=O)N1CCn2c1ccn2	EMOLS-id_177243405	348.42	UGDCRLVLJSUTPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097809
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)C(C)C)CNC2	SCHEMBL2921530,PC-id_68441620	348.42	LCOGTTASQNRUJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097810
Cc1ccc(NS(=O)(=O)C)c(C(=O)NCc2cnc3n2CCC3)c1	ZINC22_1875284234	348.42	RHJOSSMWGXFHQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097811
Cc1csc(CN(C[C@H]2CCCO2)C(=O)c2cc3n(n2)CCO3)n1	ZINC22_1615539294	348.42	WWSBVOOBWHJKIA-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097812
Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2cc3n(n2)CCO3)n1	ZINC22_1615539295	348.42	WWSBVOOBWHJKIA-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097813
Cc1csc(C(=O)N2Cc3[nH]nc(COCC(=O)N(C)C)c3C2)c1	ZINC22_2055713434,EMOLS-id_313725138	348.42	OQQNXHQBAFPVMD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097814
Cc1csc(n1)CN(C(=O)c1nn2c(c1)OCC2)CC1CCCO1	MCULE-7399902649,EMOLS-id_316866009	348.42	WWSBVOOBWHJKIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097815
Cc1nc(C(C)C)ccc1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_320390225,ZINC22_835331538,PC-id_139013471,MCULE-4597030044	348.42	KKRBYFBFGXGUFH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-097816
CCCc1noc(n1)CCC(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-9940184236,EMOLS-id_29695089,PC-id_35677714,CoCoCo_4731109	348.42	WJZAALZVNYVPRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097817
CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccco1)CSC2	EMOLS-id_5617912,ZINC22_5438247,CoCoCo_5184714,PC-id_7685540,MCULE-7752498941	348.42	FWRCSJSJDUPIDQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-097818
CC(C)C(=O)Nn1c2c(CN(C2)S(=O)(=O)Cc2ccccc2)cn1	PC-id_91216030	348.42	OVRWLEMRIDCRTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097819
CC(C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)C	SCHEMBL2914284,PC-id_68439138	348.42	VMNXIBZQKUTSTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097820
CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2)CC	EMOLS-id_316725235	348.42	HFOHNHIHLKYOFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097821
CCNS(=O)(=O)c1cccc(c1)C(=O)NCc1cnc2n1CCC2	MCULE-4319076074,EMOLS-id_319940082	348.42	WFJFLEFGJXZLEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097822
CCOC(=O)c1c(NC(=O)C(N)Cc2c[nH]cn2)sc2CCCc12	EMOLS-id_327998622,MCULE-2381812790	348.42	KPNOVTCMNUGKMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097823
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ccnn3C(C)C)nc12	PC-id_52177045,ZINC22_42381139	348.42	XLHGRWVANFYPIB-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097824
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccnn3C(C)C)nc12	ZINC22_42381144,PC-id_52177046	348.42	XLHGRWVANFYPIB-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-097825
CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cn3nc(C)cc3C)nc12	PC-id_52177249,ZINC22_42382908	348.42	AFCDQJCVSOQYPQ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097826
CCOC(=O)[C@H]1CCc2sc(NC(=O)Cn3nc(C)cc3C)nc12	ZINC22_42382912,PC-id_52177250	348.42	AFCDQJCVSOQYPQ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-097827
CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_35706630,ZINC22_42749728,PC-id_53516031,MCULE-6523632537	348.42	UMRUSKYPQVHCPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097828
CCS(=O)(=O)Nc1cccc(c1)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320009661,MCULE-9677466486	348.42	ZPQYNNKGSJGDIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097829
CN(C(=O)c1cccc(c1)CS(=O)(=O)C)Cc1nnc2n1CCC2	EMOLS-id_35706572,PC-id_53500957,MCULE-2826815982	348.42	KQRNBUOOLDPONO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097830
CNS(=O)(=O)c1cccc(c1)C(NC(=O)c1nn2c(c1)CCC2)C	EMOLS-id_316911453,MCULE-6477217342	348.42	KWMXGIKVPYBXOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097831
CNS(=O)(=O)c1ccc(c(c1)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319306697	348.42	ZOUSQTHMQFQWKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097832
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc3n(n2)CCC3)c1	ZINC22_294559335	348.42	KWMXGIKVPYBXOJ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097833
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc3n(n2)CCC3)c1	ZINC22_294559338	348.42	KWMXGIKVPYBXOJ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-097834
COC(=O)c1c(NC(=O)N(C(c2cccs2)C)C)nc2n1CCC2	EMOLS-id_319070910	348.42	DMBKUQTZTSBSMK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097835
COC(=O)c1c(NC(=O)NC(c2cccs2)(C)C)nc2n1CCC2	EMOLS-id_319232137	348.42	YGXJCMNJDJERQZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097836
COC(=O)c1c(NC(=O)NC(c2ccc(s2)C)C)nc2n1CCC2	EMOLS-id_319539612	348.42	JRDJFEOUHYUUGR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097837
COC(=O)c1c(NC(=O)N(Cc2ccc(s2)C)C)nc2n1CCC2	EMOLS-id_319540612	348.42	QKSONRHNLICZSO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097838
CS(=O)(=O)Cc1ccc(C(=O)NCCc2nnc3n2CCC3)cc1	MCULE-8005194462,PC-id_53517566,ZINC22_42502732,EMOLS-id_35706158	348.42	QJQZGQMGDLHMQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097839
Oc1ccccc1N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100182204	348.42	PRHHZFKWEVRBMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-097840
Oc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201125	348.42	AXAAGQUOVRGJQZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-097841
O=C(c1cccc(c1)NS(=O)(=O)C(C)C)NC1CCn2c1ncc2	EMOLS-id_318777910	348.42	BPXACPITLGOAMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097842
O=C(c1ccccc1N(S(=O)(=O)C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318938387	348.42	SENCPMYRAMQWGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097843
O=C(c1ccc(cc1)S(=O)(=O)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_319613986	348.42	OGUOVBMGIIBMQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097844
O=C(c1ccccc1S(=O)(=O)N(C)C)NCc1cnc2n1CCC2	EMOLS-id_319765918	348.42	OLHIDSPGSUHLAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097845
O=C(c1ccccc1S(=O)(=O)N(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319270286	348.42	JWMLWOIHZVUHGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097846
O=C(c1ccc(cc1)S(=O)(=O)N(C)C)NCc1n[nH]c2c1CCC2	MCULE-5243432994,EMOLS-id_320150239	348.42	ROFROWNTUQSRMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097847
O=C(c1coc(n1)C1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_97849545	348.42	QSBHQGKZCWTQGJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097848
OCc1nnn(c1)CC1OCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_319588300	348.42	SVGGIIVFSNITSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097849
O=C(C(C)(C)C)Nc1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316742149	348.42	LSJTYMJNCQIANY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097850
O=C(C(C)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68441624,SCHEMBL2921533	348.42	FCKZOEZXRFQXQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097851
O=C(C(C)C)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251756	348.42	JYROEDHWBABLJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097852
O=C(C(C)C)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2921532,PC-id_68441623	348.42	OCMZLGMZGLZAKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097853
O=C(CCS(=O)(=O)c1ccc(cc1)C)NCc1nnc2n1CCC2	PC-id_31821292,CoCoCo_4491083	348.42	KARNJAIHRNWRHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097854
O=C(NC1CC(n2c1ncc2)C)CNc1ccc(cc1)S(=O)(=O)C	EMOLS-id_318352264	348.42	ZBTHEHZWUHMRKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097855
O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1n[nH]c2c1CCC2	ZINC22_1565512245	348.42	NCVANQJDOFADAD-KBPBESRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097856
s1c2CCC(c2nc1NC(=O)c1n(nc(c1)C)CC)C(=O)OCC	PC-id_45550350	348.42	MZORMOKIYPNPPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097857
s1c2CCC(c2nc1NC(=O)c1nn(c(c1)C)CC)C(=O)OCC	PC-id_45550410	348.42	PPJKQRFPDIHYOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097858
S1Cc2c(n(nc2C1)CC(=O)NCc1occc1)NC(=O)C(C)C	PC-id_44053249	348.42	SDKAZEQGLQUQAR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-097859
S1Cc2c(nn(c2NC(=O)CCC)CC(=O)NCc2occc2)C1	PC-id_44053248	348.42	JPQMNRZMYXJUKR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-097860
S(=O)(=O)(N(C)C)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536277	348.42	WYWDQEDDCIKXIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097861
Cc1c(cnn1c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2787013244,PC-id_108804233,EMOLS-id_182626294	348.422	FKIUOWDKWZSWTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097862
Cc1c(c(=O)n([nH]1)c1ccccc1)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135514279	348.422	CLGVBWFICDGDOL-SRZZPIQSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-097863
s1c2CCCc2c(c1N/C=C
/C(=NN(C1=O)c1ccccc1)C)C#N	PC-id_5403200	348.422	PBOBPSLZANKDGF-WJDWOHSUSA-N	00000011100000110001100010000000000000000000000000000000	25-01-097864
s1c2CCCc2c(c1NC=C1C(=NN(C1=O)c1ccccc1)C)C#N	PC-id_6741721	348.422	PBOBPSLZANKDGF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-097865
c12SCCn1cc(CNC(=O)N(CC)Cc1noc(C3CC3)n1)n2	PC-id_119069423,MCULE-2808366802,ZINC22_426571680,EMOLS-id_82728925	348.423	WKHIKUNQHWUVCL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-097866
C1CC1c1nnc(s1)NC(=O)CCN1Cc2c(C1)n(nc2)CCO	PC-id_91835129,MCULE-6150512867,EMOLS-id_55649055	348.423	KNGVNPJTZXLIQF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-097867
C1Cc2c(C1)sc(n2)NC(=O)CN1CCC(CC1)c1n[nH]c(=O)[nH]1	PC-id_137192150	348.423	MTCWUATYDMDLIG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097868
C1CC(CN(C1)CC(=O)Nc1nc2c(s1)CCC2)c1n[nH]c(=O)[nH]1	MCULE-9471472120,PC-id_136543036,EMOLS-id_316839619	348.423	CEGIDWXXMQPWMW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097869
C1CCN(C(C1)c1n[nH]c(=O)[nH]1)CC(=O)Nc1nc2c(s1)CCC2	PC-id_137239372	348.423	OFWLPJRPXPTUMN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097870
Cc1n[nH]c([C@@H]2CN(CC(=O)Nc3nc4c(s3)CCC4)CCO2)n1	PC-id_96101933,ZINC22_76048972	348.423	FOQDABGVOYUOJL-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-097871
Cc1n[nH]c([C@H]2CN(CC(=O)Nc3nc4c(s3)CCC4)CCO2)n1	ZINC22_76048977,PC-id_96101934	348.423	FOQDABGVOYUOJL-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097872
CCc1sc(cc1C)C(=O)NNC(=O)NCc1nnc2n1CCC2	GD-id_ZINC45388572	348.423	CEWDYKXGKOTVQO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097873
CN(C(=O)N1CCC(CC1)C(=O)Nc1nc2n(c1C#N)CCS2)C	EMOLS-id_98900443	348.423	IFNWPFZHGRCMHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097874
COc1ncnc(c1NC(=O)NCc1sc2c(n1)CCC2)N(C)C	EMOLS-id_316959388	348.423	TVDWVUYQOSFCKK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-097875
O=C(c1nnn(c1)CC1(C)COC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99828463	348.423	PAAVSBDNNBGILS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-097876
O=C(c1nnn(c1)CCN1CCOCC1)Nc1sc2c(n1)CCC2	EMOLS-id_319233527	348.423	KEONNXVLJWXBTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097877
O=C(CN1CCC[C@@H](c2nc(O)n[nH]2)C1)Nc1nc2c(s1)CCC2	ZINC22_566701456	348.423	CEGIDWXXMQPWMW-SECBINFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097878
O=C(CN1CCC[C@H](c2nc(O)n[nH]2)C1)Nc1nc2c(s1)CCC2	ZINC22_566701457	348.423	CEGIDWXXMQPWMW-VIFPVBQESA-N	00000010100010000001100010000000000000000000000000000000	25-01-097879
O=C(Nc1sc2c(n1)CCC2)CN1CCOC(C1)c1[nH]nc(n1)C	EMOLS-id_43385379,MCULE-6166291724,PC-id_72122627	348.423	FOQDABGVOYUOJL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097880
O=S(=O)(c1cnc2n1CCC2)NC1CCN(CC1)c1cccnn1	EMOLS-id_100688852	348.423	YRYFBDAGCYMOBJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-097881
CCC=CCC(C=CC1C(Cc2c1cc(o2)CCCCC(=O)O)O)O	PC-id_88703674	348.433	ZLOSLDGFWMNOPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097882
CCC=CC[C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O	PC-id_57065566,SCHEMBL10992214	348.433	ZLOSLDGFWMNOPT-YXJHDRRASA-N	00000010100000000000000010000000000000000000000000000000	25-01-097883
CC/C=CC[C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O	SCHEMBL10960011	348.433	ZLOSLDGFWMNOPT-NNHWWKNKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097884
o1c2c([C@H]([C@H](O)C2)/C=C/[C@@H](O)CC=CCC)cc1CCCCC(=O)O	PC-id_70480756	348.433	ZLOSLDGFWMNOPT-ZVDKHMQXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097885
OC(=O)C1CCc2c1sc(c2C(=O)c1ccc(cc1)S(=O)C)C	SCHEMBL10744014,PC-id_13934078	348.437	PLKSCGGQVODATO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097886
c12CN(Cc1cnn2CCO)C(=O)C1(CCCCC1)N1CCOCC1	PC-id_56749302,ZINC22_67885622,MCULE-3204017918,EMOLS-id_49660328	348.44	AXOQRRLQTBHMLW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097887
c12CN(Cc1nn(CC1CCC1)c2C(=O)N(C)C)C(=O)OC(C)(C)C	EMOLS-id_324353642,MCULE-8101269935	348.44	PVGPKYZQNWVNIU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-097888
c12CN(Cc1nn(CC1CCCC1)c2C(=O)NC)C(=O)OC(C)(C)C	EMOLS-id_324352878,MCULE-9652802182	348.44	KPOYDHLNZFMJDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097889
c12CN(Cc1nn(CC1CCCCC1)c2C=NO)C(=O)OC(C)(C)C	EMOLS-id_324357741,MCULE-1860120990	348.44	ZCPPDWPYPMNZPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097890
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)N(C)C)C(=O)OCC	EMOLS-id_324351594,MCULE-4477263091	348.44	ZTUKWZZWDAWIKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097891
c1(C(=O)NC2CC2)n(C(C)(C)C)nc2CN(C(=O)OC(C)(C)C)Cc12	MCULE-9652732799,EMOLS-id_324356710	348.44	LWERTRHPUJWTTO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-097892
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)C2(CCCCC2)C)n1	MCULE-9260791634	348.44	OBIAPMHKBYOVAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097893
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)C2(CCCCC2)C)n1	EMOLS-id_316333371,MCULE-4391170343	348.44	OBIAPMHKBYOVAE-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097894
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)CC3CCCCC3)C2)n1	EMOLS-id_316337459,MCULE-5950273713	348.44	JZHLGYMBGHRTDD-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097895
c1(C(=O)NCCOC)cc2n(CC(NC(=O)CC3CCCCC3)C2)n1	MCULE-9405409116	348.44	JZHLGYMBGHRTDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097896
c1(NC(=O)CSc2ccccn2)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL5907780,PC-id_728066,CoCoCo_715591,Chemmine_60189,MCULE-7831603351,ZINC22_138117,EMOLS-id_1996695	348.44	UDWRFNUTYXUSCA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-097897
c1(NC(=S)Nc2ccc(cc2)O)sc2c(CCC2)c1C(=O)OC	TIMTEC205807,ZINC22_17072421,CoCoCo_6823074,EMOLS-id_4026903,PC-id_17255561,MCULE-1308491956	348.44	HXSARAXWYDDGMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097898
c1(NC(=S)Nc2cccc(O)c2)sc2c(CCC2)c1C(=O)OC	CoCoCo_6823063,TIMTEC345445,PC-id_17255550,ZINC22_17072417,MCULE-7578667649,EMOLS-id_4026895	348.44	NWZLWCQWLNJFBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097899
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(cc1)OCC	EMOLS-id_322627909,MCULE-7455144809	348.44	VPFIFHYDPFNEMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097900
CCC1CCC(CC1)N(C(=O)Nc1nc2n(c1C(=O)OC)CCC2)C	EMOLS-id_319150987	348.44	QMEWJFUMUYWGAB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097901
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)C1CC(O)C1)C2	ZINC22_1565554262,EMOLS-id_313734101	348.44	WFFLIPRRGNYHST-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-097902
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)[C@H]1CCOC1)C2	ZINC22_1565551720	348.44	JUJDNEIABWVVJJ-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097903
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)[C@@H]1CCOC1)C2	ZINC22_1614937770	348.44	JUJDNEIABWVVJJ-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097904
CC(C)n1nc(CN2CCOCC2)c2CN(Cc12)C(=O)C1CCOC1	EMOLS-id_313735380	348.44	JUJDNEIABWVVJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097905
C[C@@H]1[C@@H](CCCN1C(=O)OC(C)(C)C)C(=O)NC1CCn2c1cnc2	EMOLS-id_177346185,MCULE-3840593109	348.44	MUEFXTCXOUBNNY-ZFXTZCCVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097906
C[C@@H]1[C@H](C(=O)N[C@H]2CCn3cncc23)CCCN1C(=O)OC(C)(C)C	ZINC22_585122651	348.44	MUEFXTCXOUBNNY-MCIONIFRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097907
C[C@@H]1[C@H](C(=O)N[C@@H]2CCn3cncc23)CCCN1C(=O)OC(C)(C)C	ZINC22_585122652	348.44	MUEFXTCXOUBNNY-MGPQQGTHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097908
CCn1c(nc2c1CN(C2)C(=O)OC(C)(C)C)C(=O)/C=C(/N(C)C)C	PC-id_118614468,SCHEMBL17380742	348.44	FWJLCTGMQUHPLP-FMIVXFBMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097909
Cn1nc2c(c1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CCC2	PC-id_47794607,MCULE-4652781596,EMOLS-id_33313661,ZINC22_58416022	348.44	KCGWTAXMEUHVKB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097910
Cn1nc2c(c1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CCC2	PC-id_95145428,ZINC22_65515423	348.44	QEDPHDPNSQJGMC-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097911
Cn1nc2c(c1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCC2	ZINC22_65515422,PC-id_95145427	348.44	QEDPHDPNSQJGMC-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097912
COc1ccc(C)cc1S(=O)(=O)Nc1sc2CCCc2c1C#N	MCULE-4144985078,EMOLS-id_322627397	348.44	SIMCGVQJJXEWNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097913
COC(CC(=O)NC1CCCN(CC1)C(=O)c1cnc2n1CCC2)C	PC-id_146152343	348.44	LJNNJYHCFMHOKV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097914
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)C1(C)CCCCC1	MCULE-4120297860	348.44	HUOUQNIRIMCMHA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097915
COCCNC(=O)c1cnn2c1C[C@@H](C2)NC(=O)C1(C)CCCCC1	EMOLS-id_316325686,MCULE-5231832998	348.44	HUOUQNIRIMCMHA-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097916
CO[C@@H](C)CC(=O)N[C@H]1CCCN(C(=O)c2cnc3n2CCC3)CC1	ZINC22_1065956325	348.44	LJNNJYHCFMHOKV-KBPBESRZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097917
CO[C@H](C)CC(=O)N[C@H]1CCCN(C(=O)c2cnc3n2CCC3)CC1	ZINC22_1065956326	348.44	LJNNJYHCFMHOKV-KGLIPLIRSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097918
CO[C@@H](C)CC(=O)N[C@@H]1CCCN(C(=O)c2cnc3n2CCC3)CC1	ZINC22_1065956327	348.44	LJNNJYHCFMHOKV-UONOGXRCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097919
CO[C@H](C)CC(=O)N[C@@H]1CCCN(C(=O)c2cnc3n2CCC3)CC1	ZINC22_1065956328	348.44	LJNNJYHCFMHOKV-ZIAGYGMSSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097920
COC(=O)c1c(NC(=O)N2CC(C2C(C)C)C(C)C)nc2n1CCC2	EMOLS-id_319594609	348.44	KMXFSJQQLREQOK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-097921
COC(=O)c1c(NC(=O)N2CCC(CC2)C(C)(C)C)nc2n1CCC2	EMOLS-id_319367863	348.44	MITLAROCXKSASG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097922
COC(=O)c1c(NC(=O)N(C2CCCCCCC2)C)nc2n1CCC2	EMOLS-id_319107906	348.44	FQABLIXFWOCQQB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097923
COC(=O)c1c(NC(=O)N(C(C2CCCCC2)C)C)nc2n1CCC2	EMOLS-id_319393406	348.44	QYUXZZYOCZPYKQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097924
NC(=O)c1c(NC(=O)CSc2ccc(O)cc2)sc2c1CCC2	PC-id_52272375,ZINC22_47884409,MCULE-6992541255,EMOLS-id_44497404	348.44	BZSMFVZHZKOEMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097925
O=C(C1CCCN(C1)C(=O)OC(C)(C)C)Nc1n(C)nc2c1CCC2	MCULE-4262263730,EMOLS-id_35742539,PC-id_53542281	348.44	QEDPHDPNSQJGMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097926
CN(C(=O)c1cccc(c1Br)C)Cc1nnc2n1CCC2	PC-id_103853067	349.226	ROLNSKWKIGRIET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098253
OCCn1ncc2c1CN(C2)C(=O)C1CCN(CC1)C1CCOCC1	PC-id_119065895,MCULE-2996754216,EMOLS-id_82719467	348.44	VWESQCXYUYBQDM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097927
O=C(N1CCCC1c1scc(n1)C(=O)O)c1sc2c(c1)CCC2	EMOLS-id_319260323	348.44	ZZDOKUPXKSLXIC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-097928
s1c2CCCc2cc1C(=O)NNC(=O)CCC(=O)c1sccc1	PC-id_46652822	348.44	RTQBVVUIVOLNIB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-097929
s1c2CCCc2cc1C(=O)NNS(=O)(=O)C=Cc1ccccc1	PC-id_78705922	348.44	ZJUJZSKTRYKZEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097930
s1c2CCCc2cc1C(=O)NNS(=O)(=O)/C=C/c1ccccc1	PC-id_8473987	348.44	ZJUJZSKTRYKZEX-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-097931
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)N1CCSC1	PC-id_75467528	348.44	RYBONRUVAFXGNM-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-097932
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1occc1)C)C)C(=O)N	PC-id_41104663	348.44	FYBZAGOPQMJXFV-JTQLQIEISA-O	00000010101000000000000010000000000000000000000000000000	25-01-097933
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1occc1)C)C)C(=O)N	PC-id_41104665	348.44	FYBZAGOPQMJXFV-SNVBAGLBSA-O	00000010101000000000000010000000000000000000000000000000	25-01-097934
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)OC)C#N	PC-id_2569946	348.44	QGJVCAREGYTPTN-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-097935
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1occc1)C)C)C(=O)N	PC-id_74747081	348.44	FYBZAGOPQMJXFV-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-097936
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1oc(cc1)C)C)C(=O)N	PC-id_9103666	348.44	DHWVRCODMOPKKH-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-097937
s1c2CCC(c2nc1NC(=O)/C=C/c1sccc1)C(=O)OCC	PC-id_49712168	348.44	XOTSJMREZMLXPH-VMPITWQZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097938
s1c2CCC(c2nc1NC(=O)C=Cc1sccc1)C(=O)OCC	PC-id_75355008	348.44	XOTSJMREZMLXPH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-097939
c1(CN(C2CCCC2)C(=O)c2cccc(c2)C#N)c2CCCc2n(C)n1	EMOLS-id_53872631,PC-id_86266593,MCULE-1273830979,ZINC22_217911327	348.441	KGRJOSVTPNLALT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097940
Cc1cccc(c1)COc1ccc(cc1)CNC1CC(n2c1ncn2)C	MCULE-6631112797,EMOLS-id_319840124	348.441	PPZJVKVGAXJTMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097941
Cc1n[nH]c(C)c1CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-4383046035,EMOLS-id_328216442	348.441	PVPNXPGIPUQHLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097942
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCn1ccnc1	EMOLS-id_328214648,MCULE-1660208052	348.441	GWOFMDPZTQSYOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097943
n1c(CNC(=O)N2CCC3(CC2)c2ccccc2C=C3)c2c(CCC2)[nH]1	PC-id_121500998,MCULE-8031893902,EMOLS-id_177411185,ZINC22_426479006	348.441	REJJVJBSRUZVDQ-UHFFFAOYSA-N	00000011100010100001000010000000000000000000000000000000	25-01-097944
N#Cc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109865	348.441	KKDNDILUVSFVFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097945
C[C@H]1CN(CCN1S(=O)(=O)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100211596	348.442	DDQKTQQRXGYHLP-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-097946
CCNS(=O)(=O)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240939	348.442	AJUFKBHGULFYGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097947
CN=C(NCc1nnc2n1CCC2)NCc1cc(F)ccc1SC	PC-id_119142232	348.442	DOUPBLASTMXDPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097948
CS(=O)(=O)N1CCC(C1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242976	348.442	NLIVDMAFRUKXMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097949
CS(=O)(=O)N1CCCC(C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100194750	348.442	DEJBNJBCBAHVGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097950
CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240816	348.442	KKDMCSUXNRCRCE-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097951
O=S1(=O)CC[C@@H](CCS(=O)(=O)NCc2nnc3n2CCC3)C1	ZINC22_1857703873	348.442	UPYMQPGKXGOGPF-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-097952
O=S1(=O)CC[C@H](CCS(=O)(=O)NCc2nnc3n2CCC3)C1	ZINC22_1857703874	348.442	UPYMQPGKXGOGPF-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097953
O=S(=O)(c1cnc2n1CCC2)N1CCCN(CC1)S(=O)(=O)C	EMOLS-id_100203150	348.442	VWXAXSFBBBOJFM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097954
O=S(=O)(CCC1CCS(=O)(=O)C1)NCc1nnc2CCCn12	EMOLS-id_323989618,MCULE-5668658814,PC-id_145943513	348.442	UPYMQPGKXGOGPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097955
CC1CC(CN1C(=O)NC(c1nnc2n1CCC2)C)N1CCOCC1	EMOLS-id_98870614	348.443	OXWGUUTXLBIOPP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097956
CC(C)CCN1CCNC(=O)C1CC(=O)NCc1nnc2CCCn12	PC-id_45191762,MCULE-3043624950,EMOLS-id_20492315	348.443	DCSVBNQJBOIVBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097957
CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCc1nnc2n1CCC2	PC-id_42592674,CoCoCo_1260185,CoCoCo_1260184,ZINC22_12430459	348.443	DCSVBNQJBOIVBC-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097958
CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCc1nnc2n1CCC2	ZINC22_12430458,PC-id_42592672,CoCoCo_1260187,CoCoCo_1260186	348.443	DCSVBNQJBOIVBC-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097959
CC(C)NC(=O)CN1CCN(CC1)C(=O)NCc1n[nH]c2CCCc12	PC-id_121497672,MCULE-3684562459,EMOLS-id_177384668,ZINC22_426412244	348.443	KDFOHEZJGMETMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097960
CCCNC(=O)N1Cc2c(C1)c(nn2C)C(=O)N1CCCN(CC1)C	EMOLS-id_207863252,MCULE-9205068761	348.443	HGLBWQNPBCYHEP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097961
CCNC(=NCc1nnc2n1CCC2)N1CCCC(C1)C(=O)OCC	PC-id_110994901	348.443	OBMGLBGEOQHMCE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097962
CCNC(=NCc1nnc2n1CCC2)N1CCC(CC1)C(=O)OCC	PC-id_111156557	348.443	VCWNDCCOUGUQTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097963
CCNC(=NCc1nnc2n1CCC2)N1CCOC(C1)C1CCCO1	PC-id_109688255	348.443	XCIXZMAJQDJYEC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-097964
CCN(C(=O)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)CC	EMOLS-id_101579124	348.443	IDOIBDGCKYTBSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097965
CN(Cc1nnc2n1CCC2)C(=O)NCCCN1CCCCCC1=O	MCULE-3097798772,ZINC22_89364931,PC-id_71894046,EMOLS-id_45753560	348.443	TWYUDJACAGDKMN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-097966
CN(CC(NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1)C)C	PC-id_143492465	348.443	ZVTOECQGYFNXJW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-097967
CN=C(N1CCC(C1)C(=O)OC(C)(C)C)NCc1nnc2n1CCC2	PC-id_120046627	348.443	YMMUZWIOMPWVMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097968
O=C(N1CCC[C@H]1CN1CCOCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_99662182	348.443	GDDAMNHYTMDEAI-KZUDCZAMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097969
O=C(N1CCN(CC1)CC1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_99441718	348.443	OZVFBRWJKMBMSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097970
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cn(nc1)C)C)C(=O)N	PC-id_39780166	348.443	GCCVEXCPDKOBGA-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-097971
s1c2c(CCC2)c(c1NC(=S)Nc1nc(ccn1)C)C(=O)OC	PC-id_17298658	348.443	MLEFWWTUCBAGLC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-097972
c1(NC(=O)CSc2nnc(CC)n2N)sc2c(CCC2)c1C#N	EMOLS-id_335774109,MCULE-8815377129	348.446	BFOBDZPHHVOXCJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097973
CC(C)n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-4698156876,CoCoCo_4241718,EMOLS-id_19756720,ZINC22_21739666,PC-id_24523184	348.446	JHFVCACRRABMFT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-097974
CN=C(N1CCN(CC1)C(C(=O)N)(C)C)NCc1nnc2n1CCC2	PC-id_120048327	348.447	QLRUAPFQNJWEBP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097975
c1(c2CCCc2sc1NC(=O)C1CCCO1)C(=O)NC1CCCC1	EMOLS-id_13331226,PC-id_17174035,MCULE-4405553696,TIMTEC198803	348.46	HPVNXOAJKOUTIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097976
c1(NC(=O)C2CCC2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335148,MCULE-1328041045	348.46	YFEWVMSVAACBAQ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-097977
CC(OC(=O)c1c(C)cn2c1SC/C/2=CC(=O)N1CCCCC1)C	SCHEMBL9642575,PC-id_19903382	348.46	WBTMFEHBBQNCQI-NTEUORMPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097978
COC1C2CCCC2C1NC(=O)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_319677270	348.46	ISNLTQRJHWLHSE-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-097979
COc1ccc(c(c1)C(CNC(c1sc2c(n1)CCC2)C)O)OC	PC-id_109908422	348.46	LXKDXTHYQZFWRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097980
COc1cc(OC)cc(c1)C(CNC(c1sc2c(n1)CCC2)C)O	PC-id_109908773	348.46	YTDJKUODKFYRLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097981
COc1c(sc2c1CCC2)C(=O)N(C1CC1)C(=O)C1CCCNC1	PC-id_91956529	348.46	MPQBQBVCSATOPG-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-097982
C(=O)(Nc1sc2CCCc2c1C#N)CCCCCCCCC(=O)O	MCULE-7833367253,EMOLS-id_327904976	348.46	CQRQUXOQMQNXQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097983
O=C(c1cc2c(s1)CCC2)N1CCC[C@H](C(=O)N2CCOCC2)C1	PC-id_93831098,ZINC22_42010756	348.46	RNBHDBGQYTXZER-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097984
O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](C(=O)N2CCOCC2)C1	PC-id_93831099,ZINC22_42010758	348.46	RNBHDBGQYTXZER-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097985
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)C(=O)N1CCOCC1	MCULE-7557956552,EMOLS-id_36262191,PC-id_53522624	348.46	RNBHDBGQYTXZER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097986
O=C(C[C@H]1CCCCO1)Nc1sc2c(c1C(=O)NC1CC1)CCC2	PC-id_97051108,ZINC22_87218001	348.46	HBLZOLIJSKXELC-GFCCVEGCSA-N	00100010100010000000000010000000000000000000000000000000	25-01-097987
CN(C(=O)c1ccc(c(c1)C)Br)Cc1nnc2n1CCC2	PC-id_115769579	349.226	MLKUOTYBCAWVFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098254
O=C(C[C@@H]1CCCCO1)Nc1sc2c(c1C(=O)NC1CC1)CCC2	ZINC22_87218000,PC-id_97051107	348.46	HBLZOLIJSKXELC-LBPRGKRZSA-N	00100010100010000000000010000000000000000000000000000000	25-01-097988
O=C([C@@H]1CCCCN1C(=O)c1cc2c(s1)CCC2)N1CCOCC1	PC-id_97557706,ZINC22_96403625	348.46	WQDATCPIYWWFMB-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097989
O=C([C@H]1CCCCN1C(=O)c1cc2c(s1)CCC2)N1CCOCC1	ZINC22_96403624,PC-id_97557705	348.46	WQDATCPIYWWFMB-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097990
OCCN(Cc1ccc(cc1OC)OC)Cc1sc2c(n1)CCC2	PC-id_109974827	348.46	XKVNJUPLBJDFLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097991
OCCOc1ccc(cc1OC)C(NCc1sc2c(n1)CCC2)C	PC-id_109948540	348.46	FGEJYIZCQXOIIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097992
OCCOc1ccc(cc1OC)CNC(c1sc2c(n1)CCC2)C	PC-id_110017269	348.46	RBYPEROFUVJBAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-097993
O=C(N1CCCCC1C(=O)N1CCOCC1)c1sc2c(c1)CCC2	EMOLS-id_48997734,MCULE-5171731804,PC-id_72024403	348.46	WQDATCPIYWWFMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097994
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	PC-id_42546175,ZINC22_12343488,CoCoCo_1072629	348.46	HPVNXOAJKOUTIE-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097995
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	PC-id_42546176,CoCoCo_1072628,ZINC22_12343489	348.46	HPVNXOAJKOUTIE-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-097996
O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)CC1CCCCO1	PC-id_84587094,MCULE-8048225658,EMOLS-id_49103602	348.46	HBLZOLIJSKXELC-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-097997
OC(=O)CN(C1CC(C1)NC(=O)c1sc2c(c1)CCC2)CC1CC1	PC-id_120436015	348.46	KBKDOOSURGHAPN-UHFFFAOYSA-N	00101010100000000000000010000000000000000000000000000000	25-01-097998
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)C(=O)N1CCOCC1	PC-id_51219544	348.46	KMBDTTUVDMWYNG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-097999
s1c2c(CCC2)c(c1NC(=O)CN(CC=C)CC=C)C(=O)OCC	PC-id_78793365	348.46	VLQRJAHLWXLUEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098000
S1c2n(C(=CC(=O)N3CCCCC3)C1)cc(c2C(=O)OC(C)C)C	PC-id_57285827	348.46	WBTMFEHBBQNCQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098001
CNc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)c1ccccc1	PC-id_135200328,SCHEMBL20353909	348.461	JWJXDBGFMYDBHD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-098002
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1S	EMOLS-id_328222835,MCULE-4005019468	348.461	PLLUZSJBQPJSQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098003
O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2CCCc2s1	PC-id_4162200,EMOLS-id_11764825,ZINC22_6596034,MCULE-5919685678,CoCoCo_4164068	348.461	IJAXOBNQEIDSTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098004
s1c2CN(Cc2cc1C(=O)NCc1ccccc1)Cc1ccccc1	PC-id_4251728	348.461	QBLRIOBCXBFVKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098005
s1c(Nc2ccccc2)c2CCN(c2c1C(=O)c1ccccc1)CC	PC-id_44512772	348.461	CQWAYUQLWCFXCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098006
c1(C(=O)N(CCOC)Cc2cccs2)cc2n(C[C@@H](N(C)C)C2)n1	EMOLS-id_316328758,MCULE-3688579447	348.463	GLMXAPVPRFVMRM-AWEZNQCLSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098007
c1(C(=O)N[C@@H]2CC[C@@H](C2)C(=O)N2CCSCC2)c2CCCc2[nH]n1	PC-id_56893672,EMOLS-id_43104787,MCULE-9395243445,ZINC22_72424224	348.463	UMUDOCBUKVCNAC-NWDGAFQWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098008
c1(n(C)nc2CCCc12)NC(=O)N(CCOC)Cc1ccc(C)s1	PC-id_72875784,ZINC22_95508839,MCULE-2665999328,EMOLS-id_48632928	348.463	LLGMNDDTDIJIMZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098009
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)CC(=C)C	EMOLS-id_4758621,STOCK6S-22111,ZINC22_61966148,MCULE-3706716860,PC-id_17586895	348.463	MZWKOPLGUVQJLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098010
CCc1ccc(cc1)S(=O)(=O)N1Cc2c(CN(C)C)nn(C)c2C1	ZINC22_96259087,EMOLS-id_44369724,PC-id_97519177,CHEMBL3553793	348.463	QSBWOVDAMGWBHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098011
CN(Cc1nn(c2c1CN(C2)S(=O)(=O)Cc1ccc(cc1)C)C)C	PC-id_97405286	348.463	JXJHHXCDKLZGHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098012
COCCN(C(=O)c1nn2c(c1)CC(C2)N(C)C)Cc1cccs1	MCULE-7815497051	348.463	GLMXAPVPRFVMRM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098013
NC(c1ccc(cc1)C(C)C)CNS(=O)(=O)c1cnc2n1CCC2	PC-id_120874931,MCULE-6766205831,EMOLS-id_302887812	348.463	RXHQTEGSTZXSRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098014
N#Cc1c(NC(=O)CCN2CCN(CCO)CC2)sc2c1CCC2	PC-id_53530254,MCULE-6198547045,ZINC22_69655707,EMOLS-id_36260167	348.463	ICELCHTXDDDNQQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098015
O=C(C1CCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C)NC1CC1	EMOLS-id_102003654	348.463	XXLHWGZWWSUOQY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-098016
O=C(C1CC[NH2+]CC1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C	GD-id_ZINC45338997	348.463	ZCQQEWOROAMZJH-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-098017
OCC1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-5166021870,EMOLS-id_320255898	348.463	QURNPSVLESJQMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098018
O=C(N1CCC(C1)N1CCCC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007281	348.463	IARIPPKYQJOCOB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098019
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CC(=O)N(C1)C1CC1	EMOLS-id_102005760	348.463	NIIKLAPWBOPYMP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-098020
O=C(NC(c1c(C)noc1C)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009054	348.463	MMCTTZJVJUGCJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098021
O=C(N[C@H]1CC[C@@H](C(=O)N2CCSCC2)C1)c1n[nH]c2c1CCC2	ZINC22_215423696	348.463	UMUDOCBUKVCNAC-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098022
s1c2CCCc2c(c1NC(=O)CCN(CC)CC(=O)NCC)C#N	PC-id_60361190	348.463	AWZRKRLETRMCQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098023
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)NC(C)C)C)C#N	PC-id_24589291	348.463	NTHOTZSBKMYIJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098024
s1c2CCCc2c(c1NC(=O)CN(CC(=O)NC(C)(C)C)C)C#N	PC-id_8766917	348.463	WAEPNRKXLCUONH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098025
s1c2CCCc2c(c1NC(=O)CN(CC(=O)NC(C)C)CC)C#N	PC-id_8907485	348.463	KGAMSDYQMBUCNS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098026
S1CCN(C(=O)C2CC(NC(=O)c3n[nH]c4c3CCC4)CC2)CC1	PC-id_76425700	348.463	UMUDOCBUKVCNAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098027
c1(c(C)cnn1C(CC)CC)NC(=O)NCc1cn2c(SCC2)n1	EMOLS-id_48632764,ZINC22_95508660,PC-id_72875233,MCULE-3801564094	348.466	CJCRBULOTSBHBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098028
c1(CN(C)C(=O)NCCc2sc3c(CCC3)n2)nncn1CCC	ZINC22_584903553,MCULE-6028950842,EMOLS-id_177507715	348.466	OZVPRIKYINRTDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098029
c1(csc(c2cccs2)n1)C(=O)NCc1cn2c(SCC2)n1	EMOLS-id_44450683,ZINC22_82160759,MCULE-7656227039,PC-id_70782585	348.466	VZVWUOAOUCDLLY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-098030
Cc1cnc(CCNC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)s1	PC-id_95934348,ZINC22_74138360	348.466	KMMFKABAPHNQKK-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098031
Cc1cnc(CCNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)s1	PC-id_95934349,ZINC22_74138363	348.466	KMMFKABAPHNQKK-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098032
Cc1nc(C)c(CNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)s1	PC-id_97583261,ZINC22_96440028	348.466	TVTMQKCNODSIEN-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098033
Cc1nc(C)c(CNC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)s1	ZINC22_96440027,PC-id_97583260	348.466	TVTMQKCNODSIEN-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098034
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nnc3n2CCC3)s1	ZINC22_76066339,PC-id_96105308	348.466	CKSMPDYICMMUTO-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098035
CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2nnc3n2CCC3)s1	ZINC22_76066344,PC-id_96105309	348.466	CKSMPDYICMMUTO-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-098036
CCc1nc(c(s1)C(N(C(=O)NCc1nnc2n1CCC2)C)C)C	MCULE-6291791163,PC-id_72118833,EMOLS-id_43389838	348.466	CKSMPDYICMMUTO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098037
CC(C)(C)c1csc(CCNC(=O)NCc2nnc3n2CCC3)n1	MCULE-4785784567,EMOLS-id_36950903,ZINC22_71857154,PC-id_56827097	348.466	NWDJHCSNTAUZOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098038
CC(C)(C)c1nc(CNC(=O)NCCc2nnc3n2CCC3)cs1	PC-id_71922271,ZINC22_86389345,EMOLS-id_45663953,MCULE-4467773625	348.466	SUAHDOOOUHVWEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098039
CC[C@H](NC(=O)N[C@H](c1nnc2n1CCC2)C(C)C)c1nccs1	PC-id_96095219,ZINC22_76018577	348.466	KUTPVKBPVSLQOH-AAEUAGOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098040
CC[C@H](NC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C)c1nccs1	ZINC22_76018572,PC-id_96095217	348.466	KUTPVKBPVSLQOH-WCQYABFASA-N	00000010100000000001000010000000000000000000000000000000	25-01-098041
CC[C@@H](NC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C)c1nccs1	ZINC22_76018574,PC-id_96095218	348.466	KUTPVKBPVSLQOH-DGCLKSJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098042
CC[C@@H](NC(=O)N[C@H](c1nnc2n1CCC2)C(C)C)c1nccs1	ZINC22_76018579,PC-id_96095220	348.466	KUTPVKBPVSLQOH-YPMHNXCESA-N	00000010100000000001000010000000000000000000000000000000	25-01-098043
CCCSc1nnc(C(C)C)n1NC(=O)c1nn(C)c2CCCc12	EMOLS-id_320481034,PC-id_84467190,MCULE-2683285143	348.466	FIEZBUCBPAJMMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098044
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccs1)(O)C	PC-id_109419038	348.466	ICIHAQZVYMULAN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098045
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccsc1)(O)C	PC-id_111653760	348.466	WJVSIJGWNOOQFE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098046
CN(C(c1cscc1)CNC(=O)N(Cc1nnc2n1CCC2)C)C	EMOLS-id_35720026,MCULE-6781995374,PC-id_53498351	348.466	RQVZQASNCZFFCW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098047
CN(Cc1nnc2n1CCC2)C(=O)NC[C@@H](c1ccsc1)N(C)C	ZINC22_48332452,PC-id_94181161	348.466	RQVZQASNCZFFCW-ZDUSSCGKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098048
CN(Cc1nnc2n1CCC2)C(=O)NC[C@H](c1ccsc1)N(C)C	ZINC22_48332453,PC-id_94181162	348.466	RQVZQASNCZFFCW-CYBMUJFWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098049
O=C(C(n1nnnc1C(C)(C)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102164149	348.466	HORDNQTYNRDNDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098050
O=C(NC(c1nnc2n1CCC2)C(C)C)NCc1sc(nc1C)C	PC-id_71990200,MCULE-9401461289,EMOLS-id_49067426	348.466	TVTMQKCNODSIEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098051
O=C(NC(c1nnc2n1CCC2)C(C)C)NCCc1ncc(s1)C	PC-id_71868295,MCULE-1092014155,EMOLS-id_44574121	348.466	KMMFKABAPHNQKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098052
s1c(ncc1)C(NC(=O)NC(c1n2CCCc2nn1)C(C)C)CC	PC-id_72129794	348.466	KUTPVKBPVSLQOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098053
CCCCCCCCCC(=O)N1[C@@H](CC(C)C)c2c(C1=O)c(on2)C	PC-id_102228466	348.48	BGAXSCDQRYYPSN-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098054
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCC1=CCCCC1	EMOLS-id_328215671,MCULE-4643954595	348.481	YCFBJQNDWQZNNJ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-098055
c1(C(=O)N(CC)CC)c2CCCc2sc1NC(=O)c1cccs1	TIMTEC162127,ChEMBL-DNDi_CHEMBL5579634,MCULE-2501241177,PC-id_806211,BAS-00487078,ZINC22_316045,CHEMBL228689,EMOLS-id_2085702,BindingDB_PC-id_806211,BindingDB-id_43939,CoCoCo_665535	348.483	GANNYOXLLPQREB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098056
CC1CCC(C(C1)OCC(=O)N(Cc1nnc2n1CCC2)C)C(C)C	MCULE-1218923150,PC-id_45819270,EMOLS-id_31936730	348.483	GTXFMXPXPAHCKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098057
CC1CCC(C(C1)OCC(=O)NC(c1nnc2n1CCC2)C)C(C)C	MCULE-4127399088,EMOLS-id_31936156,PC-id_45819123	348.483	TVABHOZITIZULV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098058
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)Cc1nnc2n1CCC2	PC-id_100837975,ZINC22_229309550	348.483	GTXFMXPXPAHCKV-PMPSAXMXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098059
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)Cc1nnc2n1CCC2	PC-id_100837976,ZINC22_229309558	348.483	GTXFMXPXPAHCKV-OAGGEKHMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098060
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)Cc1nnc2n1CCC2	PC-id_94024545,ZINC22_44934907	348.483	GTXFMXPXPAHCKV-OWCLPIDISA-N	00000010100010000001000010000000000000000000000000000000	25-01-098061
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)Cc1nnc2n1CCC2	ZINC22_44934900,PC-id_94024540	348.483	GTXFMXPXPAHCKV-BZUAXINKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098062
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H](C)c1nnc2n1CCC2	PC-id_93615683,ZINC22_40522735	348.483	TVABHOZITIZULV-QKPAOTATSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098063
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@H](C)c1nnc2n1CCC2	PC-id_98719705,ZINC22_106067423	348.483	TVABHOZITIZULV-KLHDSHLOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098064
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC22_229305618,PC-id_100837817	348.483	TVABHOZITIZULV-QXSJWSMHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098065
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H](C)c1nnc2n1CCC2	ZINC22_252463459	348.483	TVABHOZITIZULV-FPCVCCKLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098066
CCCCN(C(=O)c1nn2c(c1)C[C@@H](C2)OC)C1CCN(CC1)CC	MCULE-6133536544,EMOLS-id_316338013	348.483	IMEPYNBHFOWRJQ-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098067
CCCN(C1CC(C1(C)C)OCC)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318296585	348.483	PHWUPXRHGILUQU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098068
C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N[C@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879932	348.483	TVABHOZITIZULV-JONQDZQNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098069
C[C@H]1CC[C@H]([C@H](C1)OCC(=O)N[C@@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879933	348.483	TVABHOZITIZULV-FZKCQIBNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098070
C[C@H]1CC[C@H]([C@H](C1)OCC(=O)N[C@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879934	348.483	TVABHOZITIZULV-VGWMRTNUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098071
C[C@H]1CC[C@H]([C@@H](C1)OCC(=O)N[C@@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879935	348.483	TVABHOZITIZULV-XUWVNRHRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098072
C[C@H]1CC[C@H]([C@@H](C1)OCC(=O)N[C@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879936	348.483	TVABHOZITIZULV-YHUYYLMFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098073
C[C@@H]1CC[C@H]([C@H](C1)OCC(=O)N[C@@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879937	348.483	TVABHOZITIZULV-WCVJEAGWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098074
C[C@@H]1CC[C@H]([C@H](C1)OCC(=O)N[C@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879938	348.483	TVABHOZITIZULV-UGUYLWEFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098075
C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)N[C@@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879939	348.483	TVABHOZITIZULV-LVQVYYBASA-N	00000010100010000001000010000000000000000000000000000000	25-01-098076
C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)N[C@H](c1nnc2n1CCC2)C)C(C)C	CoCoCo_4879940	348.483	TVABHOZITIZULV-FXUDXRNXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098077
N1(CCN(CC1)CC#CCn1nc2c(CCC2)c1C)Cc1ccccc1	PC-id_10383141	348.485	FCHXHNWRHHZOFL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-098078
c12SCCn1cc(CNC(=O)Nc1ccccc1SCCC)n2	PC-id_118760604,EMOLS-id_68868595,MCULE-2822583422,ZINC22_299765165	348.486	JNWZNERWTHGZFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098079
CCC(CC)[C@H](CNC(=O)NCc1nnc2n1CCC2)N1CCCC1	PC-id_95126817,ZINC22_65400232	348.486	DTVWLFQESJPKMD-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098080
CCC(CC)[C@@H](CNC(=O)NCc1nnc2n1CCC2)N1CCCC1	ZINC22_65400230,PC-id_95126816	348.486	DTVWLFQESJPKMD-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098081
CCC(C(N1CCCC1)CNC(=O)NCc1nnc2n1CCC2)CC	PC-id_53500627,MCULE-3424107228,EMOLS-id_35718928	348.486	DTVWLFQESJPKMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098082
CCC(CNc1[nH]nc2c1CN(C2)N(C1CCCCC1)C(=O)N)CC	PC-id_69095922,SCHEMBL4565648	348.486	AYGQEYRIQBJFME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098083
CCC(CNc1[nH]nc2c1CN(C2)NC(=O)NC1CCCCC1)CC	PC-id_68563743,SCHEMBL3243651	348.486	SQERZQLPKOSMOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098084
CCNC(=NCc1nnc2n1CCC2)NCC1(CCO)CCCCC1	PC-id_109476856	348.486	DPVXKMLQKJAEBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098085
CCNC(=NCc1nnc2n1CCC2)NCCCOC1CCCCC1	PC-id_111020521	348.486	JGWCVZXORQWGRX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098086
CC/N=C(/NCCOC1CCCCCC1)NCc1nnc2n1CCC2	ZINC22_95963111,PC-id_75423829	348.486	BISCKVSLXIRPGJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098087
CCOC1CC(C1(CC)CC)NC(=NC)NCc1nnc2n1CCC2	PC-id_109390280	348.486	WGLHKMDOWIXDFY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098088
CCOCCC1(CCCC1)CNC(=NC)NCc1nnc2n1CCC2	PC-id_109781842	348.486	SLSNIHIBLDPYFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098089
CN=C(NCc1nnc2n1CCC2)NCC1CCCOC1C(C)(C)C	PC-id_111623020	348.486	BDSCSEDARCFAED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098090
COCCC1(CCCC1)CNC(=NCc1nnc2n1CCC2)NCC	PC-id_109779234	348.486	HQLCEOMDBUAGII-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098091
CSc1nc(C)c(CCC(=O)Nc2nc3c(s2)CCC3)c(C)n1	PC-id_33040230,MCULE-4203386573,ZINC22_25768551	348.486	LJAWJJVBXHQRDD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-098092
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)N	PC-id_19206934,EMOLS-id_181348358,MCULE-8606715049	348.503	SLORFMRHSUXQNK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098093
CCCNC(=O)c1c(NC(=O)C2C(C2(C)C)(C)C)sc2c1CCC2	SCHEMBL4095565,PC-id_68910184	348.503	GKOCIDWUNDEUNA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-098094
CN(C(=O)c1cc2c(s1)CCC2)C1CCN(C2CCOCC2)CC1	ZINC22_65040643,MCULE-9367379062,PC-id_56822270,EMOLS-id_36940809	348.503	NEVYODDBXYAWTL-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-098095
OC1CCCCC1N1CCC(CC1)NC(=O)c1sc2c(c1)CCC2	MCULE-7223567179,EMOLS-id_48272923,PC-id_75384408	348.503	VTLOQNZFHRZPHW-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-098096
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)(O)CN1CCCCC1	EMOLS-id_319813805	348.503	OCLJYUJTVROAFA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098097
O=C(C(C)C)Nc1sc2c(c1C(=O)NC1CCCCCC1)CCC2	CoCoCo_3174311,EMOLS-id_317290995,MCULE-6570495081,PC-id_4779532	348.503	PZUDHPPMDNLCCJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-098098
O=C(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc2c(s1)CCC2	PC-id_97235889,ZINC22_95427342	348.503	VTLOQNZFHRZPHW-CVEARBPZSA-N	00000010100010000000100010000000000000000000000000000000	25-01-098099
O=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc2c(s1)CCC2	PC-id_97235890,ZINC22_95427343	348.503	VTLOQNZFHRZPHW-HOTGVXAUSA-N	00000010100010000000100010000000000000000000000000000000	25-01-098100
O=C(NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc2c(s1)CCC2	PC-id_97235891,ZINC22_95427344	348.503	VTLOQNZFHRZPHW-HZPDHXFCSA-N	00000010100010000000100010000000000000000000000000000000	25-01-098101
O=C(NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc2c(s1)CCC2	PC-id_97235892,ZINC22_95427345	348.503	VTLOQNZFHRZPHW-JKSUJKDBSA-N	00000010100010000000100010000000000000000000000000000000	25-01-098102
O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2c(s1)CCC2	CoCoCo_3643730,MCULE-5075128828,ZINC22_20937847,PC-id_17429863,EMOLS-id_11992145,GD-id_ZINC20937847	348.503	FREBHKWAOYDFCD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098103
CCCC1(C)Sc2c(C1NC(=O)CC)cc(s2)S(=O)(=O)N	SCHEMBL9654018,PC-id_21735859	348.505	AHJIDKXNEPVECX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098104
O=C(c1cnn2c1CCC2)NCC1(CCCCC1)N1CCSCC1	EMOLS-id_101234377	348.506	JIRFFFDKKVUEJN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098105
O=C(c1nn2c(c1)CCC2)NCC1(CCCCC1)N1CCSCC1	EMOLS-id_101234389	348.506	CUKGKYDJWOZPJL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098106
O=C(N1CCCC1C1CCCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99857315	348.506	QTCKPADWAUZQSL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098107
O=C(Nc1nc2c(s1)CCC2)c1ccc(C2SCCS2)cc1	EMOLS-id_43971890,CoCoCo_4164204,ZINC22_15636722,PC-id_26723236,MCULE-8772669527	348.506	VBEUMEYSHNKGMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098108
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)CC1CC1	EMOLS-id_102000129	348.506	OHIDHLKXNPYYJM-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-098109
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCN(CC1)C1CC1	EMOLS-id_102007350	348.506	JKOLOWQPWJPSCN-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-098110
s1c2c(CCC2)c(c1NC(=O)CC[NH+](CC(C)C)CC(C)C)C#N	PC-id_52759099	348.526	POGGRCZSETVIMQ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-098111
CCCCCCCCCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_109616228	348.529	NIGIJINRSLYKFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098112
Brc1cc(sc1)CNC1CCc2sc(Cl)cc12	PC-id_81252506	348.709	JWFIMWKZRGFJJI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098113
Brc1c(scc1)CNC1CCc2sc(Cl)cc12	PC-id_81252511	348.709	UGXVKOXBLDJOHU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098114
Brc1sc(CNC2CCc3sc(Cl)cc23)cc1	PC-id_81252907	348.709	VELJKXLEFCINLV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098115
Brc1sc(C(N)c2sc3c(CCC3)c2)cc1Cl	PC-id_80530739	348.709	UOXBOMMJMNQIFU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098116
NC(c1sc(c(c1)Br)Cl)c1sc2c(c1)CCC2	PC-id_113741829	348.709	CMDZYNJKRVWTJE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098117
c1(C(F)(F)F)nn(c(C(=O)NCc2nnc3CCCn23)c1Cl)C	EMOLS-id_68918262,PC-id_118784004,MCULE-1242910253,ZINC22_299782877	348.711	XKUMTYLNWJKFDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098118
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)CCl	SCHEMBL18484165	348.784	GBZGGKIKFDJMHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098119
COC(=O)c1c(NC(=O)NCc2cccc(c2)Cl)nc2n1CCC2	EMOLS-id_319031327	348.784	BOSNFSQAIBAFAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098120
COC(=O)c1c(NC(=O)NCc2ccccc2Cl)nc2n1CCC2	EMOLS-id_319324442	348.784	PGTGIKMTXMIHDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098121
COC(=O)c1c(NC(=O)NCc2ccc(cc2)Cl)nc2n1CCC2	EMOLS-id_319390033	348.784	SXQGUIHUTSTISD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098122
O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc2n(n1)CCO2	MCULE-7150278953,ZINC22_291105800,EMOLS-id_177256264	348.784	JUFJOFXXVMTICL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-098123
Clc1ccc(c(c1)F)N1CCC(C1=O)NC1CC(n2c1ncc2)C	MCULE-7628385059,EMOLS-id_318134545	348.802	BTQFFQUPMVCNFS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098124
Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110394540	348.802	ZYPQXVRWSWPZGF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-098125
O=C1C(CCN1c1ccc(c(c1)Cl)F)NC1CC(n2c1ncc2)C	EMOLS-id_318358329,MCULE-4882814443	348.802	VDAJXORJLRBXOR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098126
O=C1CC(CN1c1ccc(c(c1)F)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_318231090,MCULE-6447444703	348.802	BGTPDKHLXAOITR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098127
O=C1C(CCN1c1ccc(c(c1)F)Cl)NC1CC(n2c1ncc2)C	MCULE-5401280586,EMOLS-id_318239135	348.802	GDCNYXZSNSLPBC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098128
Clc1c(C(=O)c2c3CCCc3sc2N=CC[N+](=O)[O-])cccc1	PC-id_53912638	348.804	IEWFHTWRVWRCRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098129
Clc1c(C(=O)c2c3CCCc3sc2NC=C[N+](=O)[O-])cccc1	PC-id_67756369	348.804	XIQDCXKDMZHZIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098130
Clc1c(C(=O)c2c3CCCc3sc2N/C=C/[N+](=O)[O-])cccc1	SCHEMBL9041109,PC-id_19787186	348.804	XIQDCXKDMZHZIB-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098131
CCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960013	348.806	SRIUUTKRFIHYMK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098132
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2Cl)OC)n1	EMOLS-id_330994428,MCULE-6860069947	348.824	ODCBBLCQDKQIGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098133
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2OC)Cl)n1	MCULE-9529932614,EMOLS-id_330997759	348.824	TWHOQWJIPCWXMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098134
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)OC)n1	MCULE-2499984791,EMOLS-id_330994172	348.824	OMDZOKDKCOYBSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098135
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(OC)c2)Cl)n1	EMOLS-id_330997503,MCULE-5322193402	348.824	BDLPETHFNSBBDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098136
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1Cl)OC	EMOLS-id_330979255,MCULE-7556921618	348.824	TUMMBDBBWXXIRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098137
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1OC)Cl	EMOLS-id_330978491,MCULE-5384513959	348.824	DWCUWILUMDXBHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098138
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)OC	MCULE-5370293216,EMOLS-id_330978999	348.824	NDBLFRSYVZQPOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098139
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(OC)c1)Cl	EMOLS-id_330978235,MCULE-7975697624	348.824	QLVZGUKKTUKVHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098140
CCCCC1(C=CC=N1)C(=O)c1c(Cl)cc2n1CCC2C(=O)OC	PC-id_20528106,SCHEMBL11274021	348.824	OTHIWRNXMFSNMO-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-098141
Clc1ccc(Cn2c3C(O)(CCc3nc2C(C)C)CC(=O)O)cc1	SCHEMBL14563209,PC-id_71205723	348.824	WCSNPGUOGPAEQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098142
Clc1ccc(Cn2c3C(OCC(=O)O)CCc3nc2C(C)C)cc1	SCHEMBL12199292,PC-id_58460156	348.824	GHQCQSZCQDKSKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098143
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1Cl	EMOLS-id_330958522,MCULE-1137185527	348.824	DGIYPPXEQOYNJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098144
c1(CN(C)C(=O)Nc2cccc(Cl)c2OCC)c2CCCc2[nH]n1	MCULE-3698232996,ZINC22_299775878,PC-id_118784371,EMOLS-id_68919004	348.827	LKHQMRRWAWMYEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098145
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1nnc2n1CCC2	PC-id_93867608,ZINC22_42502650	348.827	MPCOGGJYEUNVFY-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098146
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCc1nnc2n1CCC2	ZINC22_42502647,PC-id_93867607	348.827	MPCOGGJYEUNVFY-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098147
Clc1cccc(c1)N1CCN(CC1)Cn1c(=O)n2c(c1O)CCC2	PC-id_54320191,BindingDB_PC-id_54320191	348.827	SRCDZCNVCRHMGY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-098148
Clc1ccc(OC(C(=O)N(Cc2n3CCCc3nn2)C)(C)C)cc1	PC-id_60361005	348.827	ADMQLZXJNLQMHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098149
Clc1cc(c(OC(C(=O)NCCc2n3CCCc3nn2)C)cc1)C	EMOLS-id_45751096,MCULE-3575700821,PC-id_71896192	348.827	MPCOGGJYEUNVFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098150
CN(Cc1nnc2n1CCC2)C(=O)CCCOc1ccccc1Cl	ZINC22_50558894,MCULE-9404323394,PC-id_49375804,EMOLS-id_35748563	348.827	ZUXFTODNWGIRSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098151
CN(C)CCOc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1Cl	ZINC22_116816194,PC-id_122140645,MCULE-9801933224,EMOLS-id_172306225	348.827	WASSBKBWNGUVHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098152
O[C@@H]1CC(C[C@H]1NC(=O)c1ccn2c1CCC2)Cn1ncc(c1)Cl	EMOLS-id_323988674,MCULE-5303403694,PC-id_145910513	348.827	GGXKEBQAMOZYSX-PXFYRTPJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098153
O=C(N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1ccn2c1CCC2	ZINC22_1857531306	348.827	GGXKEBQAMOZYSX-PJODQICGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098154
O=C(N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1ccn2c1CCC2	ZINC22_1857531307	348.827	GGXKEBQAMOZYSX-WPGHFRTFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098155
O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccn2c1CCC2	ZINC22_1875402332	348.827	GGXKEBQAMOZYSX-DJSGYFEHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098156
O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccn2c1CCC2	ZINC22_1875402333	348.827	GGXKEBQAMOZYSX-SGIREYDYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098157
CN(C)c1ccc(Cl)cc1NC(=O)NCCc1nnc2n1CCC2	EMOLS-id_44578576,ZINC22_83854361,PC-id_71861982,MCULE-8808991117	348.831	VQWPZZWLTDJPBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098158
Clc1ccc(C(=O)c2c3CCC(c3sc2C)CCC(=O)O)cc1	SCHEMBL10745039,PC-id_20213604	348.844	YGPMTTQRFASFNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098159
Clc1cc(C(=O)c2c3CCC(c3sc2C)CCC(=O)O)ccc1	SCHEMBL10744548,PC-id_20213640	348.844	CPASYCJLWNRJRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098160
Clc1c(C(=O)c2c3CCC(c3sc2C)CCC(=O)O)cccc1	SCHEMBL10747629,PC-id_20213658	348.844	WXJBNKSCIGUJAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098161
c1(c2CCCc2sc1NC(=O)CC)C(=O)Nc1ccc(cc1)Cl	ChEMBL-DNDi_CHEMBL3261-0191,ZINC22_127228,EMOLS-id_2568776,CoCoCo_1731069,PC-id_722812,MCULE-2352883550	348.847	DVQBMEVNMDZPMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098162
c1(c2CCCc2sc1NC(=O)CC)C(=O)Nc1ccccc1Cl	ZINC22_127230,PC-id_722814,EMOLS-id_1280444,CoCoCo_138185,ChEMBL-DNDi_CHEMBL3261-0193,MCULE-8148897059	348.847	LCAUWWRMZPIUDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098163
c1(c2CCCc2sc1NC(=O)CC)C(=O)Nc1cccc(Cl)c1	MCULE-7648841393,BAS-00832377,EMOLS-id_1280442,PC-id_722815,ZINC22_127233,CoCoCo_138184	348.847	HBHRYZBFDFNVLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098164
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329819,MCULE-9907581770	348.847	MEBJYNOJCAMWBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098165
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_19220876,MCULE-9712340948	348.847	VHAJIQZABSPUQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098166
c1(NC(=O)CCc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)N	PC-id_1407361,MCULE-8776131793	348.847	XNZWIEAGAOCHQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098167
Clc1ccc(C2(CCCC2)C(=O)Nc2onc3c2CSC3)cc1	GD-id_ZINC44449772,PC-id_49719084	348.847	PIOASEAHIKJXIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098168
Clc1ccc(NC(=O)CN(C(=O)c2sc3CCCc3c2)C)cc1	PC-id_9426343	348.847	QDKWCKFETGQGOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098169
Clc1c(NC(=O)CN(C(=O)c2sc3CCCc3c2)C)cccc1	PC-id_37275371	348.847	FUJFGCQQLKVSDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098170
CN(C)C(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2	PC-id_673751,ZINC22_35923,MCULE-8889819167	348.847	VAVYAAZDONTUBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098171
CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc2c(s1)CCC2	PC-id_33287388,MCULE-2972018935,ZINC22_26031004,EMOLS-id_44528994	348.847	WHAWBZCPXFKRMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098172
c1(nnc2SCCn12)NC(=O)C1(CCCC1)c1ccc(cc1)Cl	PC-id_22582977,EMOLS-id_16349489,MCULE-2589311338,ZINC22_17155709,CoCoCo_2590537	348.85	ZNQCLKGIRSKAQV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098173
c1(NC(=O)CSc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_1363083,MCULE-1814537970,ChEMBL-DNDi_CHEMBL3448-5355,CoCoCo_228661,STOCK2S-91627,BAS-02052703,PC-id_672986,ZINC22_34890	348.87	YRIVGHHLQLBJGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098174
N#Cc1c(NC(=O)CSc2ccccc2Cl)sc2c1CCC2	CoCoCo_2929703,EMOLS-id_3338079,PC-id_2565403,MCULE-1701282677,ZINC22_3445273	348.87	MSPGBZKNCKDPSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098175
Clc1sc(S(=O)(=O)NCc2sc3c(CCC3)c2)c(n1)C	PC-id_61215686	348.892	CQCZHMXPYZSASL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098176
Clc1sc2c(C(NC3CCN(S(=O)(=O)CC)CC3)CC2)c1	PC-id_81233708	348.912	XNCZGGOCDDWYFZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098177
CC(C)(C)C(=O)NC1=NC2=C(S1)C(=NC2)I	PC-id_160220198	348.975	ZPYKAPIEWWOVRK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-098178
CC1(CC2=C(S1)C=C(S2)Br)NC(=O)OC(C)(C)C	PC-id_163992532	348.981	UBWJWMFVSTVTAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098179
O=C1N(CCC2CC2)Cn2c1nc(c2Br)Br	PC-id_140263627	349.022	VMHFKUMJUAKRQO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-098180
C1CC2=NC=C(N2C1)S(=O)(=O)NC(=O)C(C3CCOCC3)(F)F	PC-id_154794620	349.091	MJHTZQFOCFNDKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098181
CN(C(CC1=CC=C(C=C1)F)C2CN3C=C(N=C3O2)[N+](=O)[O-])C(=O)[O-]	PC-id_153874058	349.095	IXDHYQHOQSALBS-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-098182
C1CC2=C(C1)SC(=N2)C(=O)NC[C@@H](C(F)(F)F)N3CCOCC3	ZINC22_578304551,PC-id_164634350	349.107	VJSGUIMZSZATPM-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-098183
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2C#N	PC-id_152280143	349.11	WLECEYHYSVRWOC-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-098184
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC(=C2)C#N	PC-id_153305155	349.11	YNENTMOSFRUESD-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-098185
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)C#N	PC-id_150567215	349.11	ILBQLIIYYKWIFD-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-098186
CC1(C2=C(CN1C(=O)[O-])C(=NN2C(=O)[O-])NC(=O)N3CCCCC3)C	PC-id_153867845	349.14	HULUXQOGVAHILQ-UHFFFAOYSA-L	00000010100010000001000010000000000000000000000000000000	25-01-098187
c12CN(Cc1nn(CCC)c2I)C(=O)OCC	MCULE-6005676715,EMOLS-id_324344164	349.168	VYCCVYQXAFTORY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098188
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3(CCC3)[Si](C)(C)C)C	PC-id_153699728	349.17	QZLCIXHPTGLRDW-UHFFFAOYSA-M	00001010100000000001000010000000000000000000000000000000	25-01-098190
CC1CCc2c1c(Cl)nn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-2361658362,EMOLS-id_330976757	349.178	UGYMHUCGGCNWSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098191
CC1CCc2c1c(Cl)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	EMOLS-id_330975222,MCULE-9777870768	349.178	FFXOIVIVBSYCNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098192
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(Cl)c12	EMOLS-id_330957746,MCULE-4991047769	349.178	CQHXTKDWKNUULT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098193
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(Cl)c12	MCULE-2658723522,EMOLS-id_330960306	349.178	QVDZNNUHWOZCJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098194
Brc1ccc(c(c1)/C=N/NC(=O)c1[nH]nc2c1CCC2)O	BAS-00338639,CoCoCo_44507,CoCoCo_44505,PC-id_135411735,GD-id_ZINC00336049	349.183	RWLJGINKCWGCSH-FRKPEAEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098195
Brc1ccc(c(c1)/C=NNC(=O)c1[nH]nc2c1CCC2)O	CoCoCo_44506,CoCoCo_44508,PC-id_136661830,SPECS-id_AT-225/NB33025	349.183	RWLJGINKCWGCSH-APSNUPSMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098196
Brc1ccc(c(c1)O)/C=N/NC(=O)c1n[nH]c2c1CCC2	PC-id_136266878,ChEMBL-DNDi_CHEMBLDNDI1417567,ChEMBL-DNDi_CHEMBL2094804	349.183	RHPKONIINNCQTK-FRKPEAEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098197
Brc1ccc(c(c1)O)/C=NNC(=O)c1n[nH]c2c1CCC2	PC-id_145919499	349.183	RHPKONIINNCQTK-APSNUPSMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098198
BrC1=CC(=CNNC(=O)c2n[nH]c3CCCc23)C(=O)C=C1	PC-id_5753895	349.183	SYGQOWRVFDCVAM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-098199
BrC1=CC(=O)C(=CNNC(=O)c2n[nH]c3CCCc23)C=C1	PC-id_56692365	349.183	UGVHJAHZGVMGPQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-098200
c1(C(=O)NN=Cc2cc(Br)ccc2O)c2CCCc2[nH]n1	MCULE-8282849310	349.183	RWLJGINKCWGCSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098201
CCN1C2=C(CN(C2)C(=O)N)C(=N1)NC(=O)C3(CCC3)[Si](C)(C)C	PC-id_153995252	349.193	NTCDIZASPFWTDU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098202
O=C(c1c(Br)nc2n1CCC2)N1CC(C1)S(=O)(=O)N	EMOLS-id_316580204	349.204	APFBCDYATVJXPZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098203
CC1CN(CCN1C(=O)C2=NN3CCOC3=C2)CC4CN(CCO4)C	PC-id_154758650,EMOLS-id_317297626,MCULE-8487188847	349.211	MVNJPFHMDVVEFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098204
Cn1ncc2c1CN(Cc1cn(c3ccc(Cl)c(Cl)c3)nn1)C2	MCULE-2519006965,ZINC22_585135991,EMOLS-id_177314779	349.218	LJNAPQDYEUWTAT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098205
CC(C)C1=C2C(=NN1COCC[Si](C)(C)C)C/C(=C/N(C)C)/C2=O	PC-id_153319055	349.219	KHKDEGKCBXMWMJ-KAMYIIQDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098206
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(Br)c2)C)n1	MCULE-6646129351,EMOLS-id_330988784	349.222	GKQNBCUSIVKGHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098207
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2Br)C)n1	MCULE-6028510299,EMOLS-id_330986481	349.222	DXDZIXJOMCAMSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098208
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2C)Br)n1	MCULE-7862691237,EMOLS-id_330987504	349.222	LNRBBRMPXCGHJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098209
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)cc(Br)c2)n1	EMOLS-id_330989040,MCULE-3469081673	349.222	UUQDVLGHPNFBSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098210
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(C)c2Br)n1	MCULE-2098837289,EMOLS-id_330986993	349.222	DDLZVIFEVUIGKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098211
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(C)c2)Br)n1	MCULE-2257580244,EMOLS-id_330987760	349.222	XRDCSYZMZOMJJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098212
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(C)ccc2Br)n1	MCULE-6762028281,EMOLS-id_330986737	349.222	XBUCJYQRCLYFNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098213
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)C	MCULE-1063130052,EMOLS-id_330967740	349.222	LHLJELGCTAVDQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098214
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1Br)C	MCULE-2902907051,EMOLS-id_330965437	349.222	JCABYWZHECPHLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098215
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1C)Br	EMOLS-id_330966460,MCULE-5978535933	349.222	PIGPSHUVCIDNCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098216
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)cc(Br)c1	MCULE-7090629581,EMOLS-id_330967996	349.222	DBKYHLNMLBEXOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098217
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(C)ccc1Br	EMOLS-id_330965693,MCULE-7230351087	349.222	OUYPHJOOSMPBSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098218
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(C)c1Br	MCULE-5540903349,EMOLS-id_330965949	349.222	CWJXCSGITPKIMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098219
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(C)c1)Br	MCULE-7699169617,EMOLS-id_330966716	349.222	LTANSTCVYGEPDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098220
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(Br)c2)n1	MCULE-7236889975,EMOLS-id_330993654	349.222	XZSISWUNYGOWQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098221
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2Br)n1	EMOLS-id_330991351,MCULE-9352893543	349.222	HJHCWHTXFMTEIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098222
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)Br)n1	EMOLS-id_330992374,MCULE-4537089456	349.222	ZYNWZRHLZNGGSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098223
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(Br)c1	MCULE-8916249613,EMOLS-id_330975410	349.222	CSNJUIXGAUVMBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098224
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1Br	EMOLS-id_330977202,MCULE-9301010263	349.222	VHHPFWGEZTVSQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098225
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)Br	MCULE-7088263579,EMOLS-id_330974130	349.222	OMCHXNTYONZWCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098226
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2C=O)c1	MCULE-8036094654,EMOLS-id_330983103	349.222	DXTPFLOLPHYZAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098227
COc1ccc(Br)c(Cn2nc(C=O)c3C(C)CCc23)c1	EMOLS-id_331003380,MCULE-3871027465	349.222	SVKCOTUVKNLOAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098228
COc1ccc(Cn2nc3CCC(C)c3c2C=O)c(Br)c1	EMOLS-id_330983359,MCULE-8179793651	349.222	QKQYDNYVOQBULS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098229
COc1ccc(Cn2nc(C=O)c3C(C)CCc23)c(Br)c1	EMOLS-id_331003636,MCULE-6794945098	349.222	HPXKBCPSQWMSIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098230
Brc1ccc(cc1)CCN(C(=O)C1NCc2c1c[nH]n2)C	EMOLS-id_320234424,MCULE-9927933994	349.226	RMOZTJYKFITTQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098231
Brc1ccc(CC(=O)NC(c2n3CCCc3nn2)C)cc1	EMOLS-id_36268872,MCULE-7482587513,PC-id_53522943	349.226	GMCYCWZWXFAPDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098232
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)c(cc1)C	PC-id_65309462	349.226	APBAVTGGKMIAKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098233
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)c(cc1)C	PC-id_65311488	349.226	ADRKUHDZNIEZNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098234
Brc1c(c(C(=O)NC(c2n3CCCc3nn2)C)ccc1)C	PC-id_65572766	349.226	KVSPFGPCXXSTOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098235
Brc1c(c(C(=O)N(Cc2n3CCCc3nn2)C)ccc1)C	PC-id_65573079,EMOLS-id_318421815	349.226	VERTVNMMKCWFMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098236
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1C	PC-id_79460856	349.226	RVPPKVZNGGNFRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098237
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1C	PC-id_79466195	349.226	FMRSYDXZJDMASF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098238
Brc1c(C(=O)NC(c2n3CCCc3nn2)C)cc(cc1)C	PC-id_80971127	349.226	RDEQQROFRZJCPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098239
Brc1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(cc1)C	PC-id_80973221	349.226	FBJNQUPIHBDCRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098240
Brc1c(C(=O)NC(c2n3CCCc3nn2)C)ccc(c1)C	PC-id_81788473	349.226	DRYOYTVGXLPSBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098241
Brc1c(C(=O)N(Cc2n3CCCc3nn2)C)ccc(c1)C	PC-id_81788786	349.226	KNWBEKUDWIEEBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098242
Brc1cnc(nc1)CCN(C(=O)c1[nH]c2c(c1)CCC2)C	EMOLS-id_319330031	349.226	UGRNZTRXRRXNNI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-098243
BrCc1ccc(cc1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_102851077	349.226	OBFQWBCNVHNUBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098244
BrCc1ccc(cc1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_102851337	349.226	JEQISSPZMCLAKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098245
Cc1cc(Br)cc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_104852156	349.226	QKNOVTMYVGPWPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098246
Cc1cc(Br)cc(c1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_104852374	349.226	OYVIPVQPBCHCHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098247
CC(c1nnc2n1CCC2)NC(=O)c1cccc(c1Br)C	PC-id_103853505	349.226	WENNJECXDSINKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098248
CC(Cc1cccc(c1)Br)NC(=O)C1NCc2c1c[nH]n2	MCULE-7326453182,EMOLS-id_319949048	349.226	BPBRMROBJDEQBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098249
C[C@H](NC(=O)Cc1ccc(Br)cc1)c1nnc2n1CCC2	PC-id_95278310,ZINC22_69383679	349.226	GMCYCWZWXFAPDU-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-098250
C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1nnc2n1CCC2	ZINC22_69383682,PC-id_95278311	349.226	GMCYCWZWXFAPDU-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098251
CN(Cc1nnc2n1CCC2)C(=O)Cc1ccc(Br)cc1	ZINC22_40523048,MCULE-2335210427,CoCoCo_4880103,EMOLS-id_31936734,PC-id_45819272	349.226	ZIAKLFOFVCVLTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098252
CN(C(=O)c1nn2c(c1Br)CCC2)[C@H](c1cccnc1)C	EMOLS-id_319201514	349.226	YVFCMKWTJWTRCP-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-098255
O=C(c1ccc(c(c1)C)Br)NC(c1nnc2n1CCC2)C	PC-id_115770247	349.226	RHQZGSCDZRYVGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098256
O=C(C1NCc2c1c[nH]n2)NCc1c(C)cc(cc1C)Br	EMOLS-id_319530441	349.226	PIUWEKRGVBXFAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098257
O=C(c1nn2c(c1Br)CCC2)NCCCc1cccnc1	EMOLS-id_319090167	349.226	HUALOKPZSYRLIQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098258
O=C(Cc1cc(Br)cc(n1)C)NCc1cnc2n1CCC2	EMOLS-id_318922401	349.226	UGHZGYIHOZEGCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098259
O=C(CCc1ccccc1Br)NCc1nnc2n1CCC2	MCULE-3943180376,PC-id_52366905,ZINC22_54151418,EMOLS-id_36642190	349.226	TYJFOKDBFJYXDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098260
O=C(NC1CC(n2c1ncc2)C)Cc1cc(Br)cc(n1)C	EMOLS-id_318905294	349.226	FEYHLURKLMJCDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098261
O=C(Nc1n(C)nc2c1CCC2)Cc1cc(Br)cc(n1)C	MCULE-2270182235,EMOLS-id_319918389	349.226	JTQNXEHBAFECOD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098262
Brc1scnc1CS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_318117155	349.227	UNHLNXHSZFHMBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098263
Cn1ncc2c1CN(C2)S(=O)(=O)c1sncc1Br	EMOLS-id_319404647	349.227	YTGNMIOVADVBTA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098264
ICCCCNC(=O)c1sc2c(c1)CCC2	PC-id_106846287	349.231	DQXCIVXLNZYVHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098265
Brc1ccc(C=NNC(=O)c2sc3CCCc3c2)cc1	PC-id_85015458	349.246	QPINWVBAEGGOHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098266
Brc1cc(C=NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_85015466	349.246	OLFAWZAETNVCKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098267
Brc1c(C=NNC(=O)c2sc3CCCc3c2)cccc1	PC-id_85015566	349.246	NMPDKGZHZOEMLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098268
N#Cc1ccc(cc1Br)NCCc1cn2c(n1)SCC2	EMOLS-id_319032510	349.249	CZWNRTIEADNXPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098269
Clc1ccc(cc1Cl)S(=O)(=O)Nc1nc2CCCc2s1	MCULE-8524100329,EMOLS-id_181478015,PC-id_84570034	349.256	UDVZOOGEHITPET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098270
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(Cl)cc1	PC-id_3566516	349.256	VCRCZGVGYDVXLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098271
CCOC(=O)c1c2C[Se](=O)Cc2c(s1)C(=O)OCC	PC-id_134927192	349.262	PRWBSUHUHLOZNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098272
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)OCCC	EMOLS-id_330966268,MCULE-4196599826	349.265	MIZDXNRCTWKSGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098273
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)OC(C)C	MCULE-9221722260,EMOLS-id_330966524	349.265	NOXULVFIPHXDJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098274
CCCOc1ccc(Cn2nc3CCC(C)c3c2Br)cc1	EMOLS-id_331017896,MCULE-4701342945	349.265	QUCANOKLBIAFLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098275
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2Br)cc1	MCULE-7405896538,EMOLS-id_331018152	349.265	QKUFMBQHKWQGNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098276
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331018403,MCULE-2685126685	349.265	MQYGSQGWKGBOJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098277
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Br	MCULE-5658049107,EMOLS-id_331021216	349.265	BMPCBEDPXCGSJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098278
CCOc1ccccc1Cn1nc2CCC(C)c2c1CBr	EMOLS-id_331013563,MCULE-2216144992	349.265	QVZBAOVDMVRQNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098279
CCOc1ccccc1Cn1nc(CBr)c2C(C)CCc12	EMOLS-id_331030530,MCULE-7400667534	349.265	PDQKJYZUUSZFTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098280
CCOc1ccc(Cn2nc3CCC(C)c3c2Br)cc1C	MCULE-8980072053,EMOLS-id_331014569	349.265	INIUKGRZMDHWDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098281
CCOc1ccc(Cn2nc3CCC(C)c3c2Br)c(C)c1	EMOLS-id_331016616,MCULE-6403917521	349.265	XRNQGJJTBUREKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098282
CCOc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1	MCULE-1765965804,EMOLS-id_331012026	349.265	SBJVSMRODHEYAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098283
CCOc1ccc(Cn2nc(Br)c3C(C)CCc23)cc1C	EMOLS-id_330967036,MCULE-5541407303	349.265	HPFPWLPZDCSGGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098284
CCOc1ccc(Cn2nc(Br)c3C(C)CCc23)c(C)c1	EMOLS-id_330969083,MCULE-5444016861	349.265	YTDOXEMBESKJKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098285
CCOc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1	EMOLS-id_331033088,MCULE-2111675659	349.265	BPGPAHLWGWWIAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098286
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1Br	MCULE-9417323304,EMOLS-id_331019680	349.265	WJYWALYQJQTXFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098287
COc1ccccc1C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331014838,MCULE-2958068495	349.265	YKRZOENJBYJYJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098288
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CBr	MCULE-3422555120,EMOLS-id_331015090	349.265	BSZXJNFREMCLAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098289
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1CBr	MCULE-5717848711,EMOLS-id_331017908	349.265	KGVWKZQABHIXIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098290
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1CBr	MCULE-2528256563,EMOLS-id_331013819	349.265	MTUZKQDPTHMCFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098291
COc1ccc(C)cc1Cn1nc(CBr)c2C(C)CCc12	EMOLS-id_331030786,MCULE-7640703481	349.265	ODOAVHXEBVFNLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098292
COc1ccc(C)c(Cn2nc3CCC(C)c3c2CBr)c1	EMOLS-id_331015344,MCULE-6462634876	349.265	JTOFUSGWSZEDQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098293
COc1ccc(C)c(Cn2nc(CBr)c3C(C)CCc23)c1	MCULE-6614617453,EMOLS-id_331032326	349.265	GKIFVSMBCGLVTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098294
COc1c(C)cc(Cn2nc3CCC(C)c3c2Br)cc1C	EMOLS-id_331014313,MCULE-6614410639	349.265	VDWXIZDEQIYVRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098295
COc1cc(C)c(Cn2nc3CCC(C)c3c2Br)cc1C	EMOLS-id_331017640,MCULE-9373117027	349.265	FPGNEOFYYHHCLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098296
COc1ccc(C(C)n2nc3CCC(C)c3c2Br)c(C)c1	MCULE-3364005594,EMOLS-id_331019936	349.265	YWGVWSIKRPFUMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098297
COc1cccc(Cn2nc3CCC(C)c3c2CBr)c1C	EMOLS-id_331015088,MCULE-7405583944	349.265	VTVVLDHAHKGOOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098298
COc1cc(C)c(Cn2nc(Br)c3C(C)CCc23)cc1C	EMOLS-id_330966012,MCULE-1280306301	349.265	AOUZXAKPKWQHLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098299
COc1c(C)cc(Cn2nc(Br)c3C(C)CCc23)cc1C	EMOLS-id_330966780,MCULE-5684377850	349.265	UURWKYWMMCZPTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098300
COc1cccc(Cn2nc(CBr)c3C(C)CCc23)c1C	MCULE-2662583206,EMOLS-id_331032070	349.265	KCNPDPFFMKZNRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098301
COc1ccc(Cn2nc3CCC(C)c3c2Br)c(C)c1C	MCULE-4169786382,EMOLS-id_331017384	349.265	ZAQGZCMOZHCJLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098302
COc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1C	EMOLS-id_331013047,MCULE-5429825817	349.265	WAINFUPQZWLBIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098303
COc1ccc(Cn2nc(Br)c3C(C)CCc23)c(C)c1C	MCULE-2265725590,EMOLS-id_330965756	349.265	LJZHSCVVVFTSOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098304
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1C	EMOLS-id_331030029,MCULE-4694842416	349.265	MAANONGALHCUHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098305
COc1cc(Cn2nc3CCC(C)c3c2CBr)ccc1C	MCULE-6710574212,EMOLS-id_331010490	349.265	MTNMGWJESDSQQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098306
COc1cc(Cn2nc(CBr)c3C(C)CCc23)ccc1C	EMOLS-id_331031552,MCULE-7360600581	349.265	DFQCOHXLAGAMFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098307
COCc1ccccc1Cn1nc2CCC(C)c2c1CBr	MCULE-4408435248,EMOLS-id_331015600	349.265	FVMMJRUGCNZFKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098308
COCc1ccccc1Cn1nc(CBr)c2C(C)CCc12	MCULE-5438597249,EMOLS-id_331032582	349.265	HRMJYBPOPGQYMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098309
Brc1ccc(C(NC(c2n3CCCc3nn2)C)CC)cc1	PC-id_43748056	349.269	ZXNRIFKSZAOXIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098310
Brc1cc(C(NC(c2n3CCCc3nn2)C)CC)ccc1	PC-id_43791506	349.269	QYMIDRPGTAVEBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098311
CC(NC(c1nnc2n1CCC2)C)Cc1ccc(cc1)Br	PC-id_103529164	349.269	AVDONZNGWJQLER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098312
Cc1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	PC-id_145296910	349.274	PGEBLHRHVWHOMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098313
Brc1ccc(C(NC2CC2)c2sc3c(n2)CCC3)cc1	PC-id_61334888	349.289	BQMFTLRYOLGHLZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-098314
Brc1cc(C(NC2CC2)c2sc3c(n2)CCC3)ccc1	PC-id_61335084	349.289	HMPCXODAMMSXGP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-098315
Brc1c(C(NC2CC2)c2sc3c(n2)CCC3)cccc1	PC-id_61335859	349.289	QIKXQESVUUPVDY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-098316
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)OC)C(=O)OC(C)(C)C	MCULE-8487070146,EMOLS-id_324341869	349.306	NSOGSRXVWPUYCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098317
CNC(=O)OCc1c(COC(=O)NC)c(C(F)(F)F)n2c1CCC2	ZINC22_1557871,PC-id_318887,LI_176535,CoCoCo_5561545,NSC259676	349.306	COEAWFNZRAUWRR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098318
N#Cc1nccc(c1)CNC(=O)Cn1nc(c2c1CCC2)C(F)(F)F	EMOLS-id_318817834	349.31	XJPDHJQCKNEVAT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098319
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)n(C)nc2CSCc12	EMOLS-id_334569393,MCULE-7031837490	349.322	OZZPLTRZHNFGHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098320
S1c2n(CC1)c(c(n2)C)/C=[N+](/[O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1	PC-id_78582480	349.322	UZDRMNIHPWILFU-FRKPEAEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098321
CCOC(=O)c1c(NC(=O)CC(=O)C(F)(F)F)sc2CCCc12	MCULE-8471171409,EMOLS-id_328057872	349.325	JASDRRBTQUKRFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098322
BrC(c1sc2c(CCC2)c1)c1c(c(cc(c1C)C)C)C	PC-id_63442176	349.328	IIIUPIXNTHPFMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098323
BrC(c1sc2c(CCC2)c1)c1c(CC)ccc(c1)CC	PC-id_64168172	349.328	QVCOWFIYNFCDSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098324
BrC(c1sc2c(CCC2)c1)c1ccc(CC(C)C)cc1	PC-id_63435925	349.328	KIHNYENWRBCINQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098325
BrC(c1sc2c(CCC2)c1)c1ccc(C(CC)C)cc1	PC-id_63438295	349.328	WFCJRNCYQJITMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098326
BrC(c1sc2c(CCC2)c1)c1ccc(CCCC)cc1	PC-id_63440049	349.328	AYVTXKJCCXBRHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098327
BrC(c1sc2c(CCC2)c1)c1ccc(C(C)(C)C)cc1	PC-id_63440055	349.328	SLQGKLCCSPFDAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098328
CCc1ccc(cc1CC)C(c1sc2c(c1)CCC2)Br	PC-id_115482934	349.328	KBFDCPQRSYPUNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098329
OC(=O)CCN(C(=O)c1occ2c1CCC2)Cc1ccc(c(c1)F)F	MCULE-6538919380,EMOLS-id_316320919	349.329	SKQPPKXRRZGICO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098330
Cn1ncc2c1CN(C2)S(=O)(=O)Cc1ccn(n1)CC(F)(F)F	EMOLS-id_319420375	349.332	BMAMXWSMBCDNPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098331
Cn1ncc(c1S(=O)(=O)NCc1n[nH]c2c1CCC2)C(F)(F)F	EMOLS-id_318798669	349.332	FQFXQIUWXLKFQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098332
Cn1nc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCC2)C(F)(F)F	EMOLS-id_318905077	349.332	ZVCFHUOLSDFTEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098333
Cn1nc(cc1S(=O)(=O)NCc1n[nH]c2c1CCC2)C(F)(F)F	EMOLS-id_318942357	349.332	NSRQDEFZYDXDKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098334
O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cnn2c1CCC2	MCULE-4457896828,EMOLS-id_316962651,ZINC22_637795707	349.332	MXTULWLMWQDWTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098335
OC(=O)CCN(C(=O)c1cnc2n1CCC2)Cc1ccc(c(c1)F)F	EMOLS-id_318079571	349.332	RGMDJZVQZXZGJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098336
Fc1cc(NC(=O)N2CCn3c2ncc3)c(cc1F)N1CCOCC1	EMOLS-id_319966793,MCULE-2361200608	349.335	PZWIRRAHJKKGSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-098337
Fc1ccc(cc1)c1nnc(o1)NS(=O)(=O)c1cnc2n1CCC2	MCULE-7340535358,EMOLS-id_76010786,PC-id_121559603	349.34	JKMSQKRNDGZROS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098338
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)Oc1ccccc1	MCULE-6554326601,STOCK6S-53911,EMOLS-id_17110499,PC-id_135636000	349.343	VMVPXYUXAQDHJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098339
OC(c1sc(c(c1)Br)Cl)c1sc2c(c1)CCC2	PC-id_113742716	349.694	GUUCJTHBUVBQOP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098850
Cc1ccc(cn1)NC(=O)c1oc2c(n1)CN(C2)C(=O)c1cccnc1	PC-id_97525797	349.343	IALIOZQSLOAUCN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098340
O=C(c1oc2c(n1)CN(C2)C(=O)c1cccnc1)NCc1cccnc1	PC-id_97361574	349.343	YFMVLSBQCBNAOL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098341
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(Oc2ccccc2)cc1	ZINC22_13730202,PC-id_135904119	349.343	VMVPXYUXAQDHJJ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098342
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(Oc2ccccc2)cc1	ZINC22_13730205,PC-id_135904120	349.343	VMVPXYUXAQDHJJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098343
O=C(NCc1ccncc1)c1nc2CN(Cc2o1)C(=O)c1cccnc1	ZINC22_96266031,EMOLS-id_44379894,PC-id_97525793,CHEMBL3551785	349.343	VQJJZTYLSDGSAG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098344
C[C@]1(Oc2n(C1)cc(n2)[N+](=O)[O-])Cn1nnc(c1)CN1CCOCC1	SCHEMBL19518588	349.345	QAZCAEJVEQEFCM-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098345
CC1(Oc2n(C1)cc(n2)[N+](=O)[O-])Cn1nnc(c1)CN1CCOCC1	SCHEMBL19518589	349.345	QAZCAEJVEQEFCM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098346
s1c(nnc1[N-]C(=c1n2[n+](nc1C)c([N+](=O)[O-])c(n2)C)[O-])C(C)C	PC-id_51505720	349.348	VSUVZWKDQFATKM-UHFFFAOYSA-M	00000000100000000001000010000000000000000000000000000000	25-01-098347
Cn1nc2c(c1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)CCC2	PC-id_95163973,ZINC22_65856007	349.35	XNZXFFXHRQAXNJ-OLZOCXBDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098348
Cn1nc2c(c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)CCC2	PC-id_97009565,ZINC22_84303456	349.35	XNZXFFXHRQAXNJ-CHWSQXEVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098349
Cn1nc2c(c1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)CCC2	PC-id_97009567,ZINC22_84303470	349.35	XNZXFFXHRQAXNJ-STQMWFEESA-N	00100010100000110001100010000000000000000000000000000000	25-01-098350
Cn1nc2c(c1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)CCC2	ZINC22_84303463,PC-id_97009566	349.35	XNZXFFXHRQAXNJ-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098351
FC(F)(F)c1c(C2C(C2)C(=O)Nc2n(nc3c2CCC3)C)cccc1	PC-id_71883638,EMOLS-id_44555945,MCULE-1376136559	349.35	XNZXFFXHRQAXNJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098352
O=C(C1(CC1)c1cccc(c1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_318842444	349.35	QKCOCJSGXPKVET-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098353
O=C(C1(CC1)c1ccc(cc1)C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_319924631,MCULE-8882568465	349.35	GTQJTRGRWSXYCD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098354
O=C(C1(CC1)c1cccc(c1)C(F)(F)F)NCc1n[nH]c2c1CCC2	EMOLS-id_319223786	349.35	IGBVMXAXRRYEAJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098355
O=C(c1cc2n(n1)CCC2)N1CCC(C1)c1cccc(c1)C(F)(F)F	MCULE-7736344015,EMOLS-id_316873323	349.35	WPNLBZYHKFQTCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098356
O=C(c1cc2n(n1)CCC2)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC22_450573531	349.35	WPNLBZYHKFQTCV-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098357
O=C(c1cc2n(n1)CCC2)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC22_450573538	349.35	WPNLBZYHKFQTCV-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098358
O=C(c1n(C)nc2c1CCC2)N[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F	MCULE-5039747330,EMOLS-id_320162186	349.35	CKKZEUMHRKGYDJ-DZGCQCFKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098359
O=C(c1n[nH]c2c1CCC2)N[C@@H]1C[C@H](C1)c1ccc(cc1)C(F)(F)F	EMOLS-id_100967560	349.35	URVRTTVRSXUOBY-AULYBMBSSA-N	00001010100000110001100010000000000000000000000000000000	25-01-098360
O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)NCc1cnc2n1CCC2	EMOLS-id_320153462,MCULE-4102718717	349.35	HLHXSMKJYDHQBG-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098361
O=C([C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)NCc1cnc2n1CCC2	MCULE-9188343128,EMOLS-id_320238481	349.35	UOPIMIOWMSECFE-LSDHHAIUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-098362
O=C(N=c1cc2n([nH]1)CCC2)C1(c2ccc(C(F)(F)F)cc2)CCC1	EMOLS-id_324064366,ZINC22_1875274742,PC-id_146105902,MCULE-4692995840	349.35	XFQZYBKKNVOOJP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-098363
Cc1sc2c(n1)CN(C2)S(=O)(=O)c1cncc(c1)C(F)(F)F	EMOLS-id_319644500	349.352	YWKUFXKDIIGZAU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098364
Cc1sc2c(n1)CN(C2)S(=O)(=O)c1nccc(c1)C(F)(F)F	MCULE-6505073850,EMOLS-id_320037103	349.352	ANUXVIBYOFAOHT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098365
O=C(Cn1nc(C(F)F)c2c1CCC2)N1CCS(=O)(=O)CCO1	ZINC22_1875317803	349.354	FOODJPFKWYXHAU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098366
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)c1ccc(cc1)F	PC-id_139746937	349.355	YSGFNMSNOXIEQM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-098367
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccco1)C(=O)OC	BindingDB_PC-id_2787417,SCHEMBL8289759,STOCK2S-60147,CHEMBL1566764,EMOLS-id_1132784,PC-id_2787417,BindingDB-id_69180,MCULE-3337315983,BAS-01293166,ChEMBL-DNDi_CHEMBL1566764,SPECS-id_AF-399/13428009	349.358	NURRVWPHEUEKEE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-098368
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccco1)CCC2C(=O)O	SCHEMBL10819076,PC-id_70451033	349.358	XLJGZGJHNQZJGM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-098369
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1cocc1)CCC2C(=O)O	SCHEMBL10816078,PC-id_70450050	349.358	OCOYFMWBEKNPOM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-098370
COC(=O)c1c(NC(=O)c2ccco2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_118454,PC-id_718772,CoCoCo_187632	349.358	NURRVWPHEUEKEE-MRVPVSSYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-098371
COC(=O)c1c(NC(=O)c2ccco2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_118457,CoCoCo_187631,PC-id_718775	349.358	NURRVWPHEUEKEE-QMMMGPOBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-098372
COC(=O)COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	EMOLS-id_30650467,MCULE-9654650395,PC-id_30748641,ZINC22_22964181	349.358	QICWXLYQQCRXOX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-098373
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1occc1)C(=O)OC	PC-id_7486683	349.358	TYPFFDUXLABCBQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-098374
S(=O)(c1c(n2c(C(OC(=O)O)CC2)c1)C(=O)c1occc1)CC=C	PC-id_70545515	349.358	YGBZMTLZAWLJKL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-098375
S(=O)(=O)(OC)c1c(C(=O)c2n3CCC(c3cc2)C(=O)O)cccc1	PC-id_57247507	349.358	KRWWPIVUMWCOBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098376
COCCOc1ccc(cc1F)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319040334	349.36	ZTILWRRNPTUDQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098377
COCCOc1ccc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)F	EMOLS-id_319005941	349.36	SXFYKPNOIDJQMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098378
Fc1cc(OCC(O)CNC(=O)NCc2n3CCCc3nn2)ccc1	EMOLS-id_35715094,PC-id_53506304,MCULE-1590025484	349.36	SJDAIJBWTUNTSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098379
O=C(NCc1nnc2n1CCC2)NC[C@@H](O)COc1cccc(F)c1	PC-id_94908930,ZINC22_61961964	349.36	SJDAIJBWTUNTSF-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098380
O=C(NCc1nnc2n1CCC2)NC[C@H](O)COc1cccc(F)c1	ZINC22_65454289,PC-id_95135245	349.36	SJDAIJBWTUNTSF-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098381
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)[nH]c(=O)[nH]c(=O)c1	EMOLS-id_327934153,MCULE-5343323863	349.362	VQLXLWPAKLNEGA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-098382
c1(C(=O)OCC)c2CCCc2sc1N/C=C
/C(=NC(=NC1=O)O)O	MCULE-2684852848,BindingDB-id_166552,CoCoCo_1807264,STOCK3S-75440,CoCoCo_1807263,CoCoCo_1807262,ZINC22_16976886,CoCoCo_1807265,PC-id_6141350,EMOLS-id_46521438,BindingDB_PC-id_6141350	349.362	AVLFQNRVBIPVFQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-098383
c1(N=CC2C(=O)NC(=O)NC2=O)sc2c(CCC2)c1C(=O)OCC	MCULE-8588486434,PC-id_16195387	349.362	RAMFRMLIIXXEFR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098384
c1(n(C)ncc1C(=O)O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	ZINC22_36615415,EMOLS-id_14743973,TIMTEC85480,MCULE-9907705791,PC-id_19494141	349.362	BSVYYNSIOWNBKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098385
CCOC(=O)c1c(/N=CC2C(=O)NC(=O)NC2=O)sc2c1CCC2	CoCoCo_1807261	349.362	RAMFRMLIIXXEFR-SOFYXZRVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098386
CCOC(=O)c1c(/N=C/C2C(=O)NC(=O)NC2=O)sc2c1CCC2	PC-id_46499405,CoCoCo_1807260	349.362	RAMFRMLIIXXEFR-OMCISZLKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098387
CCOC(=O)c1c(sc2c1CCC2)/N=C/c1c([nH]c(=O)[nH]c1=O)O	PC-id_135507986	349.362	SXAVWCVFILYDSV-OMCISZLKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-098388
COc1cc(C(=O)Nc2nc3CCCc3s2)c(cc1OC)[N+](=O)[O-]	EMOLS-id_48207977,PC-id_4584133,MCULE-5341748833,ZINC22_6421515	349.362	GWULRMLYDSNMNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098389
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(=O)[nH]c1=O)C)N	PC-id_7704467	349.362	XMGZBQZNNNBWCA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-098390
s1c2c(CCC2)c(c1NC(=O)c1c(n(nc1)C)C(=O)O)C(=O)OC	PC-id_19496137	349.362	JNGZJZYBLABONW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098391
s1c2c(CCC2)c(c1NC(=O)c1c(nn(c1)C)C(=O)O)C(=O)OC	PC-id_19498531	349.362	JNCIVHRDLJYDTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098392
s1c2c(CCC2)c(c1NC(=O)c1cn(nc1)CC(=O)O)C(=O)OC	PC-id_19500529	349.362	JTWWBYYPXQHQOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098393
s1c2c(CCC2)c(c1NC(=O)c1n(ncc1)CC(=O)O)C(=O)OC	PC-id_19482374	349.362	NQQJYGGMJQFUOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098394
s1c2c(CCC2)c(c1NC(=O)c1nn(cc1)CC(=O)O)C(=O)OC	PC-id_19500096	349.362	RNPQNBUIAWBOQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098395
s1c2c(CCC2)c(c1NC(=O)c1nn(cc1C(=O)O)C)C(=O)OC	PC-id_19496536	349.362	HYMRYGPWDNQNFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098396
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)C)C(=O)NC(=O)OC	PC-id_16953774	349.362	JDUYDLDQHANFQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098397
s1c2c(CCC2)c(c1NC(=O)c1onc(c1)C)C(=O)NC(=O)OC	PC-id_16879904	349.362	KOTKYIJUGNABFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098398
s1c2c(CCC2)c(c1NC(=O)c1oncc1)C(=O)NC(=O)OCC	PC-id_41180051	349.362	GNHXTSFIEMQMOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098399
s1c2c(CCC2)c(c1NC(=O)Cn1nccc1C(=O)O)C(=O)OC	PC-id_19485409	349.362	YEWZFPNYJCDKBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098400
s1c2c(CCC2)c(c1NC(=O)Cn1nc(cc1)C(=O)O)C(=O)OC	PC-id_19502094	349.362	PJIIFSAORGRLAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098401
s1c2c(CCC2)c(c1NC(=O)Cn1ncc(c1)C(=O)O)C(=O)OC	PC-id_19502527	349.362	PNSJYJRKAZUTKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098402
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]ncc1)C(=O)OC	PC-id_52238511	349.362	XIZRVCZMIISXBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098403
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1onc(c1)C)C(=O)N	PC-id_7737639	349.362	SHXYGMBEFRJFRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098404
c1(cn(nc1C(=O)Nc1sc2c(CCC2)c1C(=O)N)CC)N(=O)=O	PC-id_4772881,EMOLS-id_4027590,MCULE-5382248969,TIMTEC315375,CoCoCo_6580690,ZINC22_2782421	349.365	MPLGMOHLAHPERH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098405
O=C(c1ccc(cc1)C(=O)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68438772,SCHEMBL2913496	349.365	NJBHOIAWUBQDND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098406
O=C(c1ccccc1C(=O)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68442775,SCHEMBL2924314	349.365	HVFCRTAYXYHNHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098407
s1c2c(CCC2)c(c1NC(=O)Cn1c(ncc1[N+](=O)[O-])C)C(=O)N	PC-id_48372251	349.365	AZFNKWNJYZISSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098408
s1c2c(CCC2)c(c1Nc1nc(nc(N)c1[N+](=O)[O-])NC)C(=O)N	PC-id_52127540	349.368	DOYGORCVYGDKFX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-098409
O=C(c1sc2c(n1)CCC2)NCC(C(F)(F)F)N1CCOCC1	MCULE-4072439895,EMOLS-id_316913287	349.372	VJSGUIMZSZATPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098410
O=C(CN1CCC[C@](O)(C(F)(F)F)C1)Nc1nc2c(s1)CCC2	ZINC22_69951719,PC-id_95345710	349.372	KXKLGWZHXFROEN-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098411
O=C(CN1CCC[C@@](O)(C(F)(F)F)C1)Nc1nc2c(s1)CCC2	ZINC22_69951720,PC-id_95345711	349.372	KXKLGWZHXFROEN-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098412
O=C(Nc1sc2c(n1)CCC2)CN1CCCC(C1)(O)C(F)(F)F	PC-id_53620432,MCULE-7366449864,EMOLS-id_36719816	349.372	KXKLGWZHXFROEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098413
O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1nc2c(s1)CCC2	ZINC22_578304550	349.372	VJSGUIMZSZATPM-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098414
c1(cccc(F)c1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-1385180902,EMOLS-id_328247617	349.377	GDUPLKHJIDTWPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098415
c1(ccc(F)cc1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8799130992,EMOLS-id_328190657	349.377	DRQGPCVDCWFNKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098416
c1(NC(=O)COc2ccccc2F)sc2c(CCC2)c1C(=O)OC	CoCoCo_5823509,ZINC22_484256,EMOLS-id_5124866,PC-id_903874,TIMTEC116282,MCULE-4099392708	349.377	DBLUDJJGOIZSHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098417
COc1ccc(cc1F)C(C(=O)O)NC(=O)c1sc2c(c1)CCC2	MCULE-7439234421,PC-id_121963910,EMOLS-id_72636727	349.377	HOKXAQYHZRRVSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098418
Fc1ccc(cc1)OC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	MCULE-2978006119,EMOLS-id_72037179,PC-id_120222039	349.377	WYQOMVZGGVLAKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098419
C[C@@H](CNC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1	ZINC22_96461471,PC-id_97597564	349.378	NAGLPJATYGWFSO-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-098420
C[C@H](CNC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1	ZINC22_96461472,PC-id_97597565	349.378	NAGLPJATYGWFSO-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098421
Fc1cc(C(CNC(=O)NCCc2n3CCCc3nn2)C)ccc1F	EMOLS-id_49103202,MCULE-2788040826,PC-id_71972716	349.378	NAGLPJATYGWFSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098422
FC(C(NC(=O)N1Cc2c(C1)c(n(n2)C)N)CCc1ccccc1)F	EMOLS-id_319138234	349.378	FBBZFNVTEPODEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098423
Fc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_324916488	349.381	VCNQUGXMBFFVGT-ZBUTWXCBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098424
Fc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021661,EMOLS-id_45970148	349.381	WPHYMRNIIRBOFF-NJAVVXAXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098425
Fc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_45970868,ZINC22_27023198	349.381	OSQSCRHBTDAJMM-NJAVVXAXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098426
Fc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_45970146,ZINC22_27021655	349.381	XWPYXZFQKYCQJE-KDNHCMJDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098427
n12nc(nc1sc(=Cc1ccccc1)c2=O)C=Cc1ccc(cc1)F	MCULE-7435823541	349.381	OSQSCRHBTDAJMM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098428
n12nc(nc1sc(=Cc1ccccc1F)c2=O)C=Cc1ccccc1	MCULE-7931381102	349.381	VCNQUGXMBFFVGT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098429
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)C=Cc1ccccc1	MCULE-8185829009	349.381	WPHYMRNIIRBOFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098430
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)C=Cc1ccccc1	MCULE-9037901682	349.381	XWPYXZFQKYCQJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098431
O=c1/c(=Cc2ccccc2)/sc2nc(/C=C/c3ccc(F)cc3)nn12	ZINC22_16807443	349.381	OSQSCRHBTDAJMM-USFYMYEYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098432
O=c1/c(=Cc2cccc(F)c2)/sc2nc(/C=C/c3ccccc3)nn12	ZINC22_16807424	349.381	XWPYXZFQKYCQJE-HMSDUJDUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098433
O=c1/c(=Cc2ccc(F)cc2)/sc2nc(/C=C/c3ccccc3)nn12	ZINC22_16779399	349.381	WPHYMRNIIRBOFF-USFYMYEYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098434
COC(=O)C1=C(NC2CCCCC2)n2n(C1C(=O)OC)c(=O)cc2C	PC-id_102210607	349.382	JDRCWPMFSBPHNN-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-098435
NC(=O)c1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)c1ccccc1	PC-id_140261708	349.383	FKEOTPCOIBZVPP-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098436
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CCN1CC(=O)N(C=C1)C(C)(C)C	PC-id_89437983,SCHEMBL14776049	349.385	AABXVGUCKCOSAT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-098437
CCN1CCCN(CC1=O)C(=O)Nc1nc2n(c1C(=O)OC)CCC2	EMOLS-id_319221550	349.385	WGRQDSBRXRSHSF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098438
CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)c1cc2n(n1)CCO2	ZINC22_816107014	349.405	AOJQZVXBPQYMKJ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098500
COC(=O)c1c(NC(=O)N2CCC(C2)C(=O)N(C)C)nc2n1CCC2	EMOLS-id_319876416	349.385	YJJCKJGONKCXIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098439
COC(=O)c1c(NC(=O)N2CCCN(CC2)C(=O)C)nc2n1CCC2	EMOLS-id_319222188	349.385	WDLRWILADQMPDW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098440
N#Cc1c(sc2c1CCC2)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	PC-id_25047129,CoCoCo_6382064	349.385	MQUSOUWJDQBYOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098441
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(ccc(c1)C(=O)[O-])C	PC-id_51519752	349.385	GPYSHXGSWXFMQH-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-098442
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cccc(c1)C#N	MCULE-2140466579,EMOLS-id_239630420	349.386	ZRXLZWJLZSQSFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098443
C1Cc2c(C1)[nH]nc2C(=O)NC1CCN(C1=O)Cc1ccc(cc1)C#N	PC-id_136535870,EMOLS-id_316889901,MCULE-7637406362	349.386	NKJDUZAVYWVIAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098444
c1(C(=O)NCCc2ccccn2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316325691,MCULE-1617614305	349.386	CNKPTMLZZRUNPN-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098445
c1(C(=O)NCCc2cccnc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316327731,MCULE-5481480006	349.386	IDPJDSYDVLRCPY-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098446
c1(C(=O)N(C)Cc2cccnc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316328756,MCULE-8888375583	349.386	FOPFHUPLKVPBEH-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098447
c1(C(=O)N(C)Cc2cccnc2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-4168635002	349.386	FOPFHUPLKVPBEH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098448
c1(C(=O)NCCc2ccncc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316328755,MCULE-3395154561	349.386	UEAOTCXKAFBTLT-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098449
Cc1cccc(c2ccc(C(=O)NCc3nnc4n3CCC4)c(=O)[nH]2)c1	MCULE-4843988778,PC-id_72049023,EMOLS-id_42955149,ZINC22_75120432	349.386	FKMZYWUUYWXMQK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-098450
CN(Cc1nnc2n1CCC2)C(=O)c1ccccc1Oc1cccnc1	PC-id_49594245,EMOLS-id_33319715,ZINC22_52026445,MCULE-5947876726	349.386	PPWLMZZSFHBMOE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-098451
COc1ccc(c2cccc(C(=O)NCc3n[nH]c4c3CCC4)c2)nn1	MCULE-9869591075,EMOLS-id_68940164,ZINC22_299801513,PC-id_118795151	349.386	ZQUXKTPXPYMOGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098452
COc1ccc(cc1)c1nccnc1NC(=O)c1n(C)nc2c1CCC2	EMOLS-id_316970494	349.386	TYXGRDDULZKIBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098453
COc1cccnc1c1ccc(cc1)C(=O)NCc1nnc2CCCn12	PC-id_121499621,MCULE-6665420246,EMOLS-id_177400230,ZINC22_426442467	349.386	BMPQCBWDEULNCS-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-098454
COc1cncc(c1)c1cccc(c1)C(=O)NCc1nnc2CCCn12	ZINC22_426548664,PC-id_121506204,MCULE-5064453981,EMOLS-id_177451806	349.386	YFNBNWSQWVOAGQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-098455
COc1nccnc1c1ccc(cc1)C(=O)NCc1n[nH]c2CCCc12	MCULE-1360410279,PC-id_119075066,ZINC22_426739887,EMOLS-id_82744067	349.386	UNHITKJSMHLLNQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098456
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1[nH]ncc1C(=O)N	MCULE-3750606907,EMOLS-id_328222844	349.386	WYNVUNBIDARIQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098457
N#Cc1ccc(CN2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2=O)cc1	ZINC22_365170781	349.386	NKJDUZAVYWVIAV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098458
N#Cc1ccc(CN2CC[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2=O)cc1	ZINC22_365170782	349.386	NKJDUZAVYWVIAV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098459
O(c1c(NC(=O)NCc2n3CCCc3nn2)cccc1)c1ccccc1	PC-id_52189956	349.386	ZNOQOVIEMFKMIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098460
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)NCCc1cccnc1	MCULE-1264331754	349.386	IDPJDSYDVLRCPY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098461
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)NCCc1ccncc1	MCULE-8881908489	349.386	UEAOTCXKAFBTLT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098462
O=C(c1ccc(=O)n(n1)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319723009	349.386	OXECZOHUDWZTEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098463
O=C(c1nc2c(o1)CN(C2)Cc1cccnc1)NCCc1cccnc1	PC-id_97442817	349.386	APNVQYLZXOUOMY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098464
O=C(c1nn(c2ccccc2)c(cc1=O)C)NCc1cnc2n1CCC2	EMOLS-id_318889513	349.386	BFVVVPFVJMVHCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098465
O=C(c1nn(c2ccccc2)c(cc1=O)C)NCc1n[nH]c2c1CCC2	EMOLS-id_318906148	349.386	WCSAJYFLERWPLO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098466
O=C(Cn1nc(ccc1=O)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319889147,MCULE-9287441715	349.386	DWUQHTHLWXQEIB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098467
O=C(NCC1CCc2ncc(C(=O)Nc3ccccc3)n12)c1cc[nH]c1	EMOLS-id_313762240	349.386	KPRLVENDDKKYEJ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-098468
O=C(NCc1n2CCCc2nn1)Nc1ccc(Oc2ccccc2)cc1	PC-id_60447371	349.386	LEMPAZGFMGIAIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098469
O=C(NCc1n2CCCc2nn1)Nc1cc(Oc2ccccc2)ccc1	PC-id_60471590	349.386	NALDRYSVGZABPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098470
O=C(NCc1nnc2n1CCC2)c1ccc(OCc2ccccc2)nc1	PC-id_53562467,MCULE-9300161305,EMOLS-id_36301986,ZINC22_69433173	349.386	OQAXRTARGIYDAV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-098471
O=C(NCCc1ccncc1)c1nc2CN(Cc3cccnc3)Cc2o1	EMOLS-id_44304382,PC-id_97442823,ZINC22_96147299	349.386	XCSSVFQBZLYIKI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098472
O=C(NC[C@H]1CCc2ncc(C(=O)Nc3ccccc3)n12)c1cc[nH]c1	ZINC22_1565554130	349.386	KPRLVENDDKKYEJ-OAHLLOKOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-098473
O=C(NC[C@@H]1CCc2ncc(C(=O)Nc3ccccc3)n12)c1cc[nH]c1	ZINC22_2055747586	349.386	KPRLVENDDKKYEJ-HNNXBMFYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-098474
Cc1c(c2nc(nn2c1=C)C(=O)NC)Nc1ccc(cc1)NCCC#N	PC-id_91571836	349.39	MCKRCJKDWVLVKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098475
Cc1nnc2CC(CNC(=O)c3cnc(N)nc3c3ccccc3)Cn12	PC-id_137334756,EMOLS-id_317488774,MCULE-6476447202	349.39	ZDVAEKCMQDRMER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098476
Cc1nnc2n1C[C@@H](CNC(=O)c1cnc(N)nc1c1ccccc1)C2	ZINC22_1772706371	349.39	ZDVAEKCMQDRMER-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098477
Cc1nnc2n1C[C@H](CNC(=O)c1cnc(N)nc1c1ccccc1)C2	ZINC22_1772706385	349.39	ZDVAEKCMQDRMER-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098478
C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1nnc2n1CCC2	ZINC22_48333202,PC-id_94181274	349.39	XHFZLTMYFHBSEH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098479
C[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1nnc2n1CCC2	ZINC22_48333203,PC-id_94181275	349.39	XHFZLTMYFHBSEH-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098480
N#CCCNc1ccc(cc1)N=C1c2nc(nn2C(=C1C)C)C(=O)NC	SCHEMBL14342452,PC-id_58776921	349.39	QTPBRTLAJKRMCI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-098481
O=C(c1cccc(c1)Nc1ncccn1)NC(c1nnc2n1CCC2)C	EMOLS-id_32093256,PC-id_47074433,MCULE-2474923616	349.39	XHFZLTMYFHBSEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098482
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccccc1CC	EMOLS-id_36598537,MCULE-9468940494,PC-id_56752453,ZINC22_67774590	349.401	RDNSRZCKSVSUPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098483
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1c(C)cccc1C	ZINC22_67654166,PC-id_56742034,MCULE-2106585663,EMOLS-id_36573045	349.401	FIIQSJQFNQHVSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098484
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCC2)c1C(=O)OC	PC-id_2862920,MCULE-2402824952,TIMTEC362661,EMOLS-id_2369348	349.401	OQGVFRQCGIFXFF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-098485
COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_684984,ZINC22_5022300,PC-id_776982	349.401	OQGVFRQCGIFXFF-NXEZZACHSA-N	00000010100011000000000010000000000000000000000000000000	25-01-098486
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_776984,CoCoCo_684986,ZINC22_5022298	349.401	OQGVFRQCGIFXFF-UWVGGRQHSA-N	00000010100011000000000010000000000000000000000000000000	25-01-098487
COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_5022293,PC-id_7459859,CoCoCo_684987	349.401	OQGVFRQCGIFXFF-ZJUUUORDSA-N	00000010100011000000000010000000000000000000000000000000	25-01-098488
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_5022303,PC-id_776980,CoCoCo_684985	349.401	OQGVFRQCGIFXFF-VHSXEESVSA-N	00000010100011000000000010000000000000000000000000000000	25-01-098489
Fc1cc(C(C(=O)Nc2n[nH]c3c2CCC3)C)ccc1c1ccccc1	PC-id_10291475	349.401	RPSBTQYUWCJOLB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098490
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/C=C/C)C(=O)OC	PC-id_45690003	349.401	UGJWFXBRDFZALF-PRKJJMSOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098491
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CC=CC)C(=O)OC	PC-id_77671427	349.401	UGJWFXBRDFZALF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098492
CN1CCN(CC1)C(=O)c1nn(C)c2CN(Cc12)C(=O)C1(F)CCC1	ZINC22_585110269,EMOLS-id_313747409	349.403	URUSASRNSJULEU-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-098493
c1(C(=O)NCCS(=O)(=O)c2ccc(cc2)OC)c2CCCc2[nH]n1	EMOLS-id_49403681,MCULE-7457114713,EMOLS-id_44754806,ZINC22_95474341,STOCK7S-37295,PC-id_71703017	349.405	PFZHCTVJGYXWJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098494
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)n(C)nc2CSCc12	MCULE-6370150939,PC-id_60179633,STOCK7S-24349,ZINC22_72400715,EMOLS-id_36792343	349.405	ZWTZIKHUCQIBGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098495
CC1C2C(C(=O)N2C(=C1SC1Cc2nccn2C1)C(=O)O)C(C)O	PC-id_89432883	349.405	SYFIHQJVKJGGGB-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098496
Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)c2cc3n(n2)CCO3)c1C	MCULE-1112564526,PC-id_136543511,ZINC22_408474293,EMOLS-id_112034626	349.405	OHJYFGBEBKSRRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098497
CC(C)c1cccc(C(=O)O)c1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_313134373,PC-id_136534340,ZINC22_437654824,MCULE-6628946793	349.405	FEFIFJZVVRTDIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098498
CC(C)[C@@H](c1ccccc1)S(=O)(=O)NC(=O)c1cc2n(n1)CCO2	ZINC22_816107013	349.405	AOJQZVXBPQYMKJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098499
CC([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)SC1CCn2c1cnc2)O	SCHEMBL9084445,PC-id_22867983	349.405	JKQUYFYSRPTGEU-NOOVPOFNSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098501
CC([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)SC1Cn2c(C1)cnc2)O	PC-id_22867981,SCHEMBL9083372	349.405	ROBVDKIFMMUFEF-NOOVPOFNSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098502
CC([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)SC1Cn2c(C1)ncc2)O	SCHEMBL9082672,PC-id_22867979	349.405	SYFIHQJVKJGGGB-AKFZMSNMSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098503
CC(C(S(=O)(=O)NC(=O)c1nn2c(c1)OCC2)c1ccccc1)C	EMOLS-id_316833903,MCULE-9432101783	349.405	AOJQZVXBPQYMKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098504
C[C@H]([C@H]1C(=O)N2[C@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1Cn2c(C1)ncc2)O	PC-id_100935628	349.405	SYFIHQJVKJGGGB-VZSYODPGSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098505
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@H]1Cn2c(C1)ncc2)O	SCHEMBL14769585	349.405	SYFIHQJVKJGGGB-VFWMFTPISA-N	00001011100000000001001010000000000000000000000000000000	25-01-098506
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1Cn2c(C1)ncc2)O	SCHEMBL2490557,PC-id_9819755	349.405	SYFIHQJVKJGGGB-SXLYUPOASA-N	00001011100000000001001010000000000000000000000000000000	25-01-098507
CCOc1cc(ccc1NC(=O)c1cnn2c1CCC2)S(=O)(=O)C	MCULE-2111994773,EMOLS-id_320138277	349.405	UCRSOTFJDWZHJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098508
CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cc(C)ccc1C)CC2	PC-id_146143002,ZINC22_1848831586	349.405	ULYNBFFLXUDYHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098509
CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_316882221,ZINC22_362312094,MCULE-2385930527	349.405	HIWHBKPHRLTBKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098510
OCC[C@@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)SC1Cn2c(C1)cnc2	SCHEMBL9085686,PC-id_22867982	349.405	NEMGUYXAVVCRTP-LABGDYGKSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098511
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)c1ccccc1)OC(C)(C)C	PC-id_139400905,SCHEMBL21257533	349.405	LKJONAUXNCCPIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098512
O=S(=O)(c1ccccc1)N1Cc2nc(CN3CCOCC3)oc2C1	ZINC22_96260274,PC-id_97520349	349.405	FCCCXCCOVYBNBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-098513
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C1CCCC1)C(=O)OC	PC-id_19658474	349.405	PGMKQDMESCBVHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098514
s1c2CCC(c2nc1NC(=O)Cc1c(onc1C)C)C(=O)OCC	PC-id_49712363	349.405	PLJWDTTYQYYJMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098515
S(C1=C(N2C(C(C2=O)CCO)C1C)C(=O)O)C1Cn2c(C1)cnc2	PC-id_23366070	349.405	NEMGUYXAVVCRTP-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098516
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1CCn2c1cnc2	PC-id_23366068	349.405	JKQUYFYSRPTGEU-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098517
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1Cn2c(C1)cnc2	PC-id_23366064	349.405	ROBVDKIFMMUFEF-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098518
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)[O-])C1C[n+]2n(C1)ccc2	PC-id_85198285	349.405	VXFQKXUKMIIKJZ-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098519
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)[O-])[C@@H]1C[n+]2n(C1)ccc2	PC-id_10593933	349.405	VXFQKXUKMIIKJZ-CNVPUSNMSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098520
c1(NC(=O)c2cc(on2)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_1513587,MCULE-4535875398,CoCoCo_380849,ZINC22_815115,PC-id_1093813,TIMTEC354083,SPECS-id_AN-329/43211224	349.406	OGQZSSQLLNOTCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098521
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCC2)c1C#N	PC-id_1245760,EMOLS-id_2041934,CoCoCo_541404,CHEMBL1536856,MCULE-3161269513,ZINC22_1054238,TIMTEC599323	349.406	ZOFSDBUGBMYXCS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098522
Cc1ccccc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324843760	349.406	DVEUDXFZSFOFDB-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098523
Cc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)o1	ZINC22_16750619,EMOLS-id_46378464	349.406	KIVFJJPQINIMIG-RJZVDHPXSA-N	00000000101000110001000010000000000000000000000000000000	25-01-098524
Cc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324841214	349.406	LVKJOGGHAZQLKJ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098525
Cc1ccc(/C=C/c2nc3s/c(=C/c4ccc(C)o4)/c(=O)n3n2)cc1	ZINC22_39835423	349.406	KIVFJJPQINIMIG-MDZLNXBVSA-N	00000000101000110001000010000000000000000000000000000000	25-01-098526
Cc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324842736	349.406	NKEBEHAFTAFSLQ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098527
Cc1ccc(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_324868098	349.406	LNLVSIRMZWQMQY-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098528
Cc1ccc(O)c(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324833530	349.406	SZXVFHSUEKWPOU-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098529
Cc1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324844257	349.406	RDNWDTFMWIGDIA-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098530
Cc1oc(c2cccc(C#N)c2)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1821936,PC-id_56665240	349.406	FITGRHCWFKCXQU-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-098531
C(=Cc1ccc(OC)cc1)(C(=O)Nc1sc2CCCc2c1C#N)C#N	MCULE-2336378673	349.406	AZBALUBXKFHDPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098532
COc1ccccc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324835061	349.406	JLYLEGMPPZDTHF-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098533
COc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324833780	349.406	IVLHNXZCQMEPOK-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098534
COc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324835573	349.406	OHWNUDSIYABEQV-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098535
COc1cccc(/C=c/2sc3nnc(Cc4ccccc4)n3c2=O)c1	ZINC22_13547903	349.406	MDEFKXVXUIGZCG-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098536
COc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_328136262	349.406	AZBALUBXKFHDPX-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098537
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCOc1ccccc1	MCULE-9791977367	349.406	OHLWNMJLJRGYNF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098538
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1ccc(cc1)C	MCULE-8321193130	349.406	LNLVSIRMZWQMQY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098539
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1ccccc1	MCULE-2191507581	349.406	DVEUDXFZSFOFDB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098540
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)CC	MCULE-8768612296	349.406	GXCJZGUOWZIAJY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098541
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)C	MCULE-2702262405	349.406	RDNWDTFMWIGDIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098542
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)Cc1ccccc1	MCULE-6002458375	349.406	JLYLEGMPPZDTHF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098543
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)Cc1ccccc1	MCULE-9307953303	349.406	SZXVFHSUEKWPOU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098544
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)COc1ccccc1	MCULE-2579716311	349.406	LVKJOGGHAZQLKJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098545
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1ccccc1	MCULE-8195447808	349.406	NKEBEHAFTAFSLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098546
n12nc(nc1sc(=Cc1ccc(C)o1)c2=O)C=Cc1ccc(cc1)C	MCULE-4956702442	349.406	KIVFJJPQINIMIG-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-098547
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCc1ccccc1	MCULE-3983765960	349.406	WAQXGGUVEDSNBF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098548
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)Cc1ccccc1	MCULE-3416477369	349.406	OHWNUDSIYABEQV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098549
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)CCc1ccccc1	MCULE-7052180370	349.406	QWVTVJHWKOCQQS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098550
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)Cc1ccccc1	MCULE-9774781577	349.406	IVLHNXZCQMEPOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098551
Oc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324840694	349.406	QWVTVJHWKOCQQS-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098552
Oc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324840697	349.406	WAQXGGUVEDSNBF-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098553
O=c1n2nc(CCOc3ccccc3)nc2s/c/1=Cc1ccccc1	EMOLS-id_324845818	349.406	OHLWNMJLJRGYNF-SSZFMOIBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098554
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)NCc1ccccc1	PC-id_18627006,SCHEMBL7148835	349.406	OVQUMZKTDAQLRS-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-098555
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)NCc1ccccc1	PC-id_70004465,SCHEMBL7148833	349.406	OVQUMZKTDAQLRS-NTEUORMPSA-N	00000010110000110000000010000000000000000000000000000000	25-01-098556
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)NCc1ccccc1	SCHEMBL7148827	349.406	OVQUMZKTDAQLRS-ZROIWOOFSA-N	00000010110000110000000010000000000000000000000000000000	25-01-098557
s1c2CCCc2nc1NC(=O)c1c(oc(c1)c1c(cccc1)C#N)C	PC-id_56672167	349.406	GJGGJALZIZCEAJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-098558
c1(cc(nn1C1CCS(=O)(=O)C1)C)NC(=O)c1c2CCCc2[nH]n1	EMOLS-id_49402154,STOCK7S-38626,MCULE-4682786370,PC-id_71701437,EMOLS-id_44757245	349.408	VNBJGYVDOVTZTB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098559
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NS(=O)(=O)CC)Cc12	EMOLS-id_316322096,MCULE-5093794266	349.408	WTKAGGGDWZLRGR-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098560
c1(C(=O)NCc2cccnc2)cnn2CC(NS(=O)(=O)CC)Cc12	MCULE-7597041256	349.408	WTKAGGGDWZLRGR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098561
c1(NC(=O)NCc2ccc(cc2)S(=O)(=O)N)n(C)nc2CCCc12	ZINC22_299784705,PC-id_118780521,EMOLS-id_68911369,MCULE-7715896414	349.408	HOOCRXSOUZHMPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098562
Cc1ccc(cc1)NC(=O)C1CCc2nnc(n12)CN[S+](=O)(C)[O-]	PC-id_134798965	349.408	NZCSMJNXVJFREP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098563
Cc1ccc(S(=O)(=O)NCCc2nnc3n2CCC3)cc1C(=O)N	PC-id_45821879,MCULE-7388725814,EMOLS-id_31950121,ZINC22_44936155	349.408	OQEBGSWRTHDMLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098564
Cc1cc(NC(=O)c2[nH]nc3c2CCC3)n([C@@H]2CCS(=O)(=O)C2)n1	PC-id_97263711,ZINC22_95472948	349.408	VNBJGYVDOVTZTB-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098565
Cc1cc(NC(=O)c2[nH]nc3c2CCC3)n([C@H]2CCS(=O)(=O)C2)n1	PC-id_97263712,ZINC22_95472949	349.408	VNBJGYVDOVTZTB-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-098566
CC(NS(=O)(=O)c1ccc(cc1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319163946	349.408	FMRLPFGZDYHXPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098567
CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	PC-id_40124262,ZINC22_32889125,MCULE-8008759223,CoCoCo_4560536,EMOLS-id_24067236	349.408	CDKFDEMIWDRMNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098568
CN(CC(=O)NCc1nnc2n1CCC2)S(=O)(=O)c1ccccc1	EMOLS-id_31904110,ZINC22_25091572,MCULE-5874439964,PC-id_32402085	349.408	YSAPLVZVNUBSRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098569
CN(C(=O)c1nn(c2c1CN(C2)S(=O)(=O)C)C)Cc1ccccn1	PC-id_97462027	349.408	PTKRMXMYOOPWGO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098570
CN(C)S(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CCC3)c1	CoCoCo_4491042,PC-id_17505589,ZINC22_12995166,MCULE-7773344881,EMOLS-id_16693783	349.408	VBUJYCUCMBKQEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098571
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_22191381,MCULE-2669797827,EMOLS-id_17205333,PC-id_24245696,CoCoCo_4560472	349.408	XFAODLLOWIJIRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098572
CNS(=O)(=O)c1ccc(C(=O)NCCc2nnc3n2CCC3)cc1	MCULE-3400767780,EMOLS-id_36273845,ZINC22_69414928,PC-id_53523585	349.408	RXPRYQLPKALXLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098573
COC(=O)c1c(NC(=O)N(Cc2cnc(s2)C)C)nc2n1CCC2	EMOLS-id_319794902	349.408	HBPGDDGDWZAHBJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098574
COC(=O)c1c(NC(=O)NC(c2nccs2)(C)C)nc2n1CCC2	EMOLS-id_319336851	349.408	OFHDBDCPJNTJND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098575
COC(=O)c1c(NC(=O)NCc2sc(c(n2)C)C)nc2n1CCC2	EMOLS-id_319323703	349.408	ZKTGMEZDDVVCMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098576
COC(=O)c1c(NC(=O)NCc2sc(nc2C)C)nc2n1CCC2	EMOLS-id_319587128	349.408	JNHMSZYRGXZXNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098577
COC(=O)c1c(NC(=O)N(Cc2scnc2C)C)nc2n1CCC2	EMOLS-id_319732664	349.408	VNYYRBYEJFCGLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098578
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NCc1ccccc1)[O-]	PC-id_134797838	349.408	VWDDTJPXZLQNLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098579
CS(=O)(=O)Nc1cccc(C(=O)NCCc2nnc3n2CCC3)c1	MCULE-9529242981,ZINC22_42502848,PC-id_51079736,EMOLS-id_31935494	349.408	IFJCEUSLNOOKRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098580
O=C(c1ccc(nc1)S(=O)(=O)N(C)C)NCc1cnc2n1CCC2	MCULE-4684992480,EMOLS-id_319884938	349.408	FKJQBSJXDLHVCS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098581
O=C(c1[nH]cc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)N1CCCC1	MCULE-9482280508,EMOLS-id_316411143	349.408	UEHVXAPDCRVWCX-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-098582
O=C(CN(S(=O)(=O)c1cccnc1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_97740562	349.408	ZFELSOSLSFTSSX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098583
O=C(NS(=O)(=O)c1cnc2n1CCC2)c1ccnn1C1CCCC1	PC-id_136541033,ZINC22_408019801,MCULE-8066792164,EMOLS-id_110481216	349.408	FUACXHXDANMNAL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098584
O=S(=O)(c1cnc2n1CCC2)Nc1ccc(cn1)N1CCOCC1	EMOLS-id_97704908	349.408	FFBUDJOSRPHNRH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-098585
O=S(=O)(c1cnc2n1CCC2)Nc1cccnc1N1CCOCC1	EMOLS-id_100477425	349.408	HYSXPYXRSVSQIX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-098586
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(NC(=O)C)cc1	PC-id_16588353	349.408	YGINMEAJVJKHNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098587
Cc1c(cnn1c1ccccn1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_182630077,MCULE-8742637724,PC-id_108805308	349.41	HAMOYDYFPILANH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-098588
N#Cc1ccc(Cc2cnc(NC(=O)c3n[nH]c4c3CCC4)s2)cc1	PC-id_121590619,EMOLS-id_73011828,ZINC22_131861316,MCULE-4690950320	349.41	SJIVKAVFBGQIMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098589
N#Cc1c(NC(=O)Cn2cc(c3ccccc3)nn2)sc2c1CCC2	PC-id_71849390,EMOLS-id_44588868,ZINC22_84562937,MCULE-2121225096	349.41	IWEVVHIHCUCIOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098590
OC(S1C(=Nc2n1cnc2)C(F)(F)F)CC1CCC(CC1)(C)C	SCHEMBL20743341	349.415	XIMXVKRGJGQZJU-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-098591
CC1CC(N(C1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1F	EMOLS-id_100231207	349.423	ZCHSBZXQCIISAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098592
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CC=C2C(=O)OC	SCHEMBL10817273,PC-id_70450401	349.423	WGHNWZLEXSRTOH-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-098593
CCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)C	SCHEMBL10814312	349.423	JXKJJJUFPNAJNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098594
O=C(Nc1c2CSCc2nn1C(C)(C)C)COc1ccc(cc1)F	ChEMBL-DNDi_CHEMBLF1878-0018,PC-id_7200103,CoCoCo_5065554	349.423	XDQBBALIMBJJIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098595
O=C(Nc1c2CSCc2nn1C(C)(C)C)COc1ccccc1F	PC-id_7200102,CoCoCo_5065553	349.423	KCIYKVBEIGTTAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098596
O=C(Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C)Cc1ccc(cc1)F	CoCoCo_4984824,PC-id_11877605	349.423	GYSHXSPBSOPGOW-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-098597
O=C(Nc1c2C[S@](=O)Cc2nn1C(C)(C)C)Cc1ccc(cc1)F	PC-id_11863775,CoCoCo_4984823	349.423	GYSHXSPBSOPGOW-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098598
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)Cc1ccc(F)cc1	PC-id_2160215	349.423	GYSHXSPBSOPGOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098599
c12CN(Cc1nn(CC1CCC1)c2C(=O)OC(C)(C)C)C(=O)OCC	EMOLS-id_324348771,MCULE-9520839804	349.425	SAPBYJGMKHABCH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098600
c12CN(Cc1nn(CC1CCC1)c2C(=O)OCC)C(=O)OC(C)(C)C	MCULE-6916590346,EMOLS-id_324347744	349.425	LQWGWVFYKBZXSJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098601
c12CN(Cc1nn(CC1CCCC1)c2C(=O)OC)C(=O)OC(C)(C)C	EMOLS-id_324344684,MCULE-4125502754	349.425	DYQNCMCXXYPBJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098602
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@H]([C@](CCC(C)C)(C(=O)O)C1)O	EMOLS-id_337643463,ZINC22_2100483527,MCULE-7902885144	349.425	BTOPQFJLCYNQTK-RDTXWAMCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098603
C=CCS(=O)c1cc2n(c1C(=O)c1cccs1)CCC2C(=O)O	PC-id_70473310,SCHEMBL10921435	349.425	OUBBASOXQDWARK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098604
C=CCS(=O)c1cc2n(c1C(=O)c1cscc1)CCC2C(=O)O	SCHEMBL10934950,PC-id_70476499	349.425	ZGPXEYONNZNMHQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098605
C[C@H]([C@H]1C(=O)C2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1C[n+]2n(C1)ccc2)O	SCHEMBL13441576,PC-id_57979466	349.425	KCKSDEAKYFGSOX-VVFFDKNKSA-O	00001011100000000001001010000000000000000000000000000000	25-01-098606
s1c2c(CCC2)c(c1NC(=O)CC1(CCCC1)CC(=O)[O-])C(=O)N	PC-id_27518980	349.425	CUFRXFKWDPVDPT-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-098607
s1c2c(CCC2)c(c1NC(=O)CC[NH2+]Cc1occc1)C(=O)OC	PC-id_7858220	349.425	CTUOMTQYNFAKOV-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-098608
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1occc1)C(=O)OCC	PC-id_2355245	349.425	HVWALOICUGXJBY-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-098609
s1c2c(CCC2)c(C(=O)NC2CCCC2)c1NC(=O)CCC(=O)[O-]	PC-id_8059370	349.425	QKIZWYUYPMSZND-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-098610
s1c2c(c(C(=O)NC3CC3)c1NC(=O)CC(CC(=O)[O-])C)CCC2	PC-id_74533550	349.425	ITLXCYKHGQFXJE-UHFFFAOYSA-M	00100010100000000000000010000000000000000000000000000000	25-01-098611
s1c2c(c(C(=O)NC3CC3)c1NC(=O)C[C@H](CC(=O)[O-])C)CCC2	PC-id_27518964	349.425	ITLXCYKHGQFXJE-SECBINFHSA-M	00100010100000000000000010000000000000000000000000000000	25-01-098612
s1c2c(c(C(=O)NC3CC3)c1NC(=O)C[C@@H](CC(=O)[O-])C)CCC2	PC-id_27518966	349.425	ITLXCYKHGQFXJE-VIFPVBQESA-M	00100010100000000000000010000000000000000000000000000000	25-01-098613
S(C1=C(C2C(C(C2=O)C(O)C)C1C)C(=O)O)C1C[n+]2n(C1)ccc2	PC-id_76694802	349.425	KCKSDEAKYFGSOX-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-098614
Cc1ccc(c2ccc(CCC(=O)NCc3n[nH]c4c3CCC4)o2)cc1	PC-id_119060507,EMOLS-id_82705035,ZINC22_426397330,MCULE-5957593375	349.426	CLAYOYVQIQYCCP-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-098615
Cc1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109336	349.426	NTTMXLBPXDKZIO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-098616
Cc1cccc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109337	349.426	GOBOXCYKUVUNIT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-098617
Cc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109338	349.426	WVZCVEMKOMUCMF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-098618
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1ccccc1	PC-id_92109398	349.426	VMOIEARRPPINNE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-098619
c1(NC(=O)CSc2ncccn2)sc2c(CCC2)c1C(=O)OC	TOSLab_9767,Chemmine_60219,MCULE-4464281026,ZINC22_76428,PC-id_698780,EMOLS-id_2256732,STOCK3S-28116,CoCoCo_820080	349.428	RWPHFMDLUAXJLM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-098620
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1nnc2n1CCC2	ZINC22_67143148,MCULE-6102322154,EMOLS-id_48784953,PC-id_75467172	349.428	ZXYTVXFMLVVQPL-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098621
CC(C(=O)Nc1sc2c(n1)CCC2)Sc1ccc(cc1)[N+](=O)[O-]	MCULE-9100119125,EMOLS-id_15252623,PC-id_17417510	349.428	XTYUKUYBPJGZTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098622
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)CCC2	PC-id_25923697,CoCoCo_4164266,ZINC22_14021059	349.428	XTYUKUYBPJGZTP-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098623
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)CCC2	PC-id_25923699,CoCoCo_4164267,ZINC22_14021062	349.428	XTYUKUYBPJGZTP-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-098624
CN(CCOC(=O)N1Cc2c(C1C)[nH]nc2NC(=O)C1CCCC1)C	PC-id_143492452	349.428	UFGHZOQONPIRHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098625
COC(=O)c1c(NC(=O)N2CCCC(CC2)N(C)C)nc2n1CCC2	EMOLS-id_319074412	349.428	UWESDIRRHLKJDO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098626
COC(=O)c1c(NC(=O)N2CCCN(CC2)C(C)C)nc2n1CCC2	EMOLS-id_319359873	349.428	UDTBDBKKBGSMQE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098627
COC(=O)c1c(NC(=O)N2CCN(CC2)CC(C)C)nc2n1CCC2	EMOLS-id_319782966	349.428	FAZQTVRGAOQZOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098628
COC(=O)c1c(NC(=O)N(C2CCN(C(C2)C)C)C)nc2n1CCC2	EMOLS-id_319133650	349.428	FFUKQXLKZRNDLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098629
COC(=O)c1c(NC(=O)N(CC2CCCN(C2)C)C)nc2n1CCC2	EMOLS-id_319436562	349.428	NTGPRQYTTVSWTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098630
O1[C@@](CN2CCC(N3CCCCC3)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69480543,SCHEMBL5539448	349.428	POIAKTAWQGMIAZ-KRWDZBQOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098631
O1C(CN2CCC(N3CCCCC3)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_77659610	349.428	POIAKTAWQGMIAZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098632
O1C(CN(CC2OCCC2)C(=O)NCc2n3CCCc3nn2)CCC1	MCULE-5541244260,PC-id_53499926,EMOLS-id_35718940	349.428	PBHZHRQWCJAOAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098633
O=C(c1ccc(nc1)OC1CCSC1)Nc1onc2c1CSC2	PC-id_92085826	349.428	JXENKUYJJXAKHR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098634
O=C(c1cccnc1OC1CCSC1)Nc1onc2c1CSC2	PC-id_92086611	349.428	LURDENNRLMINJB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098635
O=C(c1ccnc(c1)OC1CCSC1)Nc1onc2c1CSC2	PC-id_92086204	349.428	SCHKBHKCHUGERR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098636
O=C([C@H]1CCCCN1C(=O)OC(C)(C)C)NCc1nnc2n1CCC2	EMOLS-id_36703076,PC-id_53622311,MCULE-9324161147	349.428	ZXYTVXFMLVVQPL-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098637
O=C(NCc1nnc2n1CCC2)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1	PC-id_95124334,ZINC22_65393137	349.428	PBHZHRQWCJAOAR-KBPBESRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098638
O=C(NCc1nnc2n1CCC2)N(C[C@@H]1CCCO1)C[C@H]1CCCO1	PC-id_95124335,ZINC22_65393138	349.428	PBHZHRQWCJAOAR-OKILXGFUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098639
O=C(NCc1nnc2n1CCC2)N(C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC22_65393139,PC-id_95124336	349.428	PBHZHRQWCJAOAR-ZIAGYGMSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098640
O(C(=O)N1C(CCCC1)C(=O)NCc1n2CCCc2nn1)C(C)(C)C	PC-id_76054463	349.428	ZXYTVXFMLVVQPL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098641
s1c2c(CCC2)c(c1NC(=O)C(=O)N1CC[NH+](CC1)CCO)C#N	PC-id_8029978	349.428	PDOWJJQXYMLYNX-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-098642
s1c2CCCc2c(c1NC(=O)C(=O)NCC[NH+]1CCOCC1)C#N	PC-id_8070296	349.428	KVLNTAHVWMCFMG-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-098643
s1c2c(CCC2)c(c1NC(=O)CSc1[n+]([O-])cccc1)C(=O)N	PC-id_3894183	349.428	NZQDXADZDSUOSJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-098644
s1c2CCCc2c(c1NC(=S)NC(=O)C=CC(=O)OCC)C#N	PC-id_4955511	349.428	WNWBJKPZJORHBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098645
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/C(=O)OCC)C#N	PC-id_6235296	349.428	WNWBJKPZJORHBE-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098646
s1c2CC(N)Cc2c(c1NC(=O)CSc1ncccc1)C(=O)O	PC-id_6424245	349.428	NETOJLPZTDNCNH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-098647
c1ccc(COc2cccc(CNCCc3nnc4n3CCC4)c2)nc1	EMOLS-id_35705612,ZINC22_30657019,PC-id_37791684,MCULE-6429880647	349.43	KSPVNCNIVAAOOT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-098648
c1(C(=O)NC(c2ccccc2)CCn2ccnc2C)c2CCCc2[nH]n1	MCULE-7169923246,EMOLS-id_49887777,PC-id_77090825	349.43	KJKLNWBDOVYPJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098649
Cc1ccc(c(c1)n1ncc(c1C)C(=O)NCc1cnc2n1CCC2)C	EMOLS-id_319873836	349.43	CLQGCHYHRXSZNK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098650
Cc1ccccc1n1ncc(NC(=O)[C@H]2Cc3nccn3C2)c1C(C)C	ZINC22_2325791602	349.43	WTVXSTJTWFIIOS-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098651
Cc1ccccc1n1ncc(NC(=O)[C@@H]2Cc3nccn3C2)c1C(C)C	ZINC22_2325791603	349.43	WTVXSTJTWFIIOS-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098652
Cc1cc(C)cc(c1)n1nc(cc1C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320121302,MCULE-3219728260	349.43	LHOOHNJJXWDQIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098653
Cc1ccc(n2cc(C(=O)N3CCn4nccc34)c(C(C)(C)C)n2)cc1	EMOLS-id_177243390,ZINC22_375577607,MCULE-7790264804	349.43	KRBWRLQALGCMQQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098654
Cc1nccn1CC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_215944672,PC-id_99940777	349.43	KJKLNWBDOVYPJM-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098655
Cc1nccn1CC[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1	ZINC22_215944720,PC-id_99940778	349.43	KJKLNWBDOVYPJM-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098656
CCc1c(cnn1c1ccc(cc1)C)C(=O)NCc1cnc2n1CCC2	EMOLS-id_320094801,MCULE-6406036242	349.43	OQZNVLSSXPIAMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098657
CCc1c(cnn1c1ccccc1C)C(=O)NCc1n[nH]c2c1CCC2	MCULE-6055091066,EMOLS-id_320006868	349.43	WGEWWQZJIITUNW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098658
CCCc1ccc(cc1)C(=O)N1Cc2c(C1)c(nn2C)Cn1ccnc1	CHEMBL3550849,PC-id_97405319	349.43	MHIMDUJRSDPNAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098659
CC(C(c1nnc2n1CCC2)NC(=O)c1ccc([nH]1)c1ccccc1)C	PC-id_102554502,EMOLS-id_50552890,MCULE-6679267911	349.43	YZPUJCAAKHHTHR-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-098660
CC(C)[C@H](NC(=O)c1ccc(c2ccccc2)[nH]1)c1nnc2n1CCC2	PC-id_99774004,ZINC22_169983685	349.43	YZPUJCAAKHHTHR-SFHVURJKSA-N	00000010110000110001100010000000000000000000000000000000	25-01-098661
CC(C)[C@@H](NC(=O)c1ccc(c2ccccc2)[nH]1)c1nnc2n1CCC2	PC-id_99774005,ZINC22_169983687	349.43	YZPUJCAAKHHTHR-GOSISDBHSA-N	00000010110000110001100010000000000000000000000000000000	25-01-098662
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccc(C#N)cc1)C2	ZINC22_96259130,PC-id_97519219,EMOLS-id_44369810	349.43	XIVZJBCJVIZCQS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-098663
CN(Cc1nnc2n1CCC2)C(=O)c1cccn1CCc1ccccc1	ZINC22_69435264,PC-id_53562747,MCULE-3882605850,EMOLS-id_36295545	349.43	JQCILPVKYBTBIT-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-098664
CNS(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98856794	349.43	UCKHVUJKLHECKV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098665
n12CCCc1nnc2CNC(=O)N1CCC2(CC1)c1ccccc1C=C2	ZINC22_426534511,PC-id_121505130,MCULE-8919843676,EMOLS-id_177443553	349.43	UKJHQRJAWZCVHD-UHFFFAOYSA-N	00000011100010100001000010000000000000000000000000000000	25-01-098666
N#Cc1ccc(cc1)CC1CCCCN1C(=O)Nc1cc2n(n1)CCC2	PC-id_146101970,MCULE-9871264147	349.43	OEALGXZQHLDHRF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-098667
N#Cc1cccc(c1)C(=O)N1Cc2c(C1)n(nc2CN1CCCCC1)C	PC-id_97405336	349.43	HGCVAWLNWAJETG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-098668
O=C(c1cc(n(c1C)Cc1ccccn1)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319288500	349.43	CPJSSPAZNNVDAV-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-098669
O=C(c1c(C)nn(c1C)Cc1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319863569	349.43	XNRURBQGFRRKTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098670
O=C(c1c(C)nn(c1C)Cc1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_320040543,MCULE-2786197674	349.43	YFZVPTWTNACPJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098671
O=C(c1cnn(c1c1ccccc1)C(C)C)NCc1cnc2n1CCC2	EMOLS-id_319669030	349.43	RXVBSTWXNVSVAT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098672
O=C(c1cnn(c1c1ccccc1)C(C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319456786	349.43	WTTIGUYIROIHCZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098673
O=C(c1cn(nc1C(C)C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_319129402	349.43	WAVMLRRFJPSDHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098674
O=C(c1cnn(c1C(C)C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_319884546,MCULE-9009731742	349.43	DBEFCOKNBOSGDC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098675
O=C(c1nn(c(c1)C(C)C)c1ccccc1)NCc1cnc2n1CCC2	MCULE-9354705007,EMOLS-id_320213198	349.43	FDIRMZGJANMXHM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098676
O=C(Cc1ccc(cc1)n1nc(cc1C)C)NCc1n[nH]c2c1CCC2	EMOLS-id_319695768	349.43	NLIZSBOGCXNAHL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098677
O=C(Cc1c(C)nn(c1C)c1ccccc1)NCc1cnc2n1CCC2	EMOLS-id_320112732,MCULE-7861451344	349.43	YWYNQUBXXSUPCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098678
O=C(Cc1c(C)nn(c1C)c1ccccc1)NCc1n[nH]c2c1CCC2	EMOLS-id_318897553	349.43	ODESVDYPYGTCHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098679
O=C(NCc1nccn1CCCc1ccccc1)c1n[nH]c2c1CCC2	ZINC22_81932455,EMOLS-id_49097468,MCULE-4285525241,PC-id_71975237	349.43	COMPCCBJUSDJSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098680
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(=O)OCC	PC-id_111163833	349.431	VLHCAMJMETZPHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098681
CN=C(NC1CN(C1)C(=O)OC(C)(C)C)NCc1nnc2n1CCC2	PC-id_109466556	349.431	QDIGUPIUGOEFNT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098682
NC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(=O)OC(C)(C)C	PC-id_111039267	349.431	YDNWOKGCTUNYLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098683
Cc1nnc2n1C[C@H](CNc1nccc(c3ccc(N(C)C)cc3)n1)C2	ZINC22_2356155247	349.433	DEBJJUXQHDMBRG-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098684
Cc1nnc2n1C[C@@H](CNc1nccc(c3ccc(N(C)C)cc3)n1)C2	ZINC22_2356155248	349.433	DEBJJUXQHDMBRG-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098685
CN(C)c1ccc(cc1)c1ccnc(NCC2Cc3nnc(C)n3C2)n1	MCULE-7621893443,EMOLS-id_337788249	349.433	DEBJJUXQHDMBRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098686
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)[C@@H]1OCCC1C(=O)O	PC-id_121973892	349.445	NHPFQFWEFKJLQF-VYIIXAMBSA-N	00000010100010000000100010000000000000000000000000000000	25-01-098687
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)C	PC-id_41733121	349.445	OHQKAPGYAAEKNL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098688
COc1ccc(C(=O)c2sc(Nc3ccccc3)c3c2CCC3)cc1	PC-id_2345051,MCULE-1402977419,CoCoCo_3756818,ZINC22_3226885,EMOLS-id_2979698	349.446	ASGLWTFAESALGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098689
s1c2CCCc2cc1C(=O)NNC(=S)Nc1cc(F)c(cc1)C	PC-id_8447379	349.446	SVUIAFAKKJQJBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098690
s1c2CCCc2cc1C(=O)NNC(=S)NCc1ccc(F)cc1	PC-id_8942191	349.446	UNOGUSWCLWBBSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098691
c1(cc2c(CCC2)s1)C(=O)N[C@@H]1CC[C@H]([C@@H]1O)N1CCNC(=O)C1	EMOLS-id_48407137,BDE-33874011,PC-id_110127663,ZINC22_257338263,MCULE-2021095344	349.448	YWQOQWKJWFDZEO-XHBSWPGZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098692
c1(NC(=O)C2CC(=O)N(C(C)C)C2)sc2c(CCC2)c1C(=O)NC	MCULE-7457545464,EMOLS-id_334330072	349.448	MHEKXZPVGXKIHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098693
CCc1cc(c(cc1OC)C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319413885	349.448	MGGNBZYOMCHGHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098694
CCCCCOc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316647716	349.448	TWZJDUPFXVVJAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098695
CC(C)(C)OC(=O)NCCCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327891285,MCULE-7826102398	349.448	NCPDGZSYIOKDPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098696
CCN(Cc1oc2c(n1)CN(C2)S(=O)(=O)c1cccc(c1)C)CC	PC-id_97520337	349.448	AMPPXYXWYBUMOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098697
N#Cc1c(NC(=O)CCN(C2(CO)CCOC2)C)sc2c1CCC2	EMOLS-id_101741641	349.448	JUYNBMZJDXCWEI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098698
O=C(NCCN1CCOCC1)c1cc2c(s1)CCN2C(=O)C1CC1	ZINC22_96062695,EMOLS-id_46152933,PC-id_97385214	349.448	CMZVGGWBEFEDHD-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-098699
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(=O)C(=O)NC(C)C	PC-id_51305585	349.448	IIYROJNVISKAIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098700
s1c2CCCc2cc1C(=O)NNC(=O)C1CN(CC(C)C)C(=O)C1	PC-id_46596909	349.448	YRIAGFGLJUXXTQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098701
c1(NC(=O)C(c2ccccc2)c2ccccc2)n(C)nc2CSCc12	EMOLS-id_334563252,MCULE-4145658491	349.449	VCTLBCNGJIXPER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098702
n12nc(nc1sc(=CC1CCC=CC1)c2=O)C=Cc1ccc(cc1)C	MCULE-9277789178	349.449	QELRKZKLKOMBCI-UHFFFAOYSA-N	00000000100011110001000010000000000000000000000000000000	25-01-098703
s1c2CCCc2cc1C(=O)N(Cc1ccncc1)Cc1cccnc1	PC-id_78792652	349.449	OIWBQTBTQHSSKF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-098704
S1c2n(CC1)cc(n2)CCNC(=O)c1ccc(c2ccccc2)cc1	PC-id_18584039	349.449	KYLNTIQZPSNIBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098705
CC1(C)C(C1(C)C)c1n[nH]c(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101294895	349.451	YSZXRTKDJXIJKW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-098706
Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCC3)cc1N(C)C	PC-id_97600602,ZINC22_96472597	349.451	HJVRFHGHRSMSAD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098707
Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCC3)cc1N(C)C	ZINC22_96472600,PC-id_97600603	349.451	HJVRFHGHRSMSAD-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098708
Cc1cc(nn1C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99623862	349.451	DXKOETGHSNUMHR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098709
CCc1nc(S(=O)(=O)NCc2n[nH]c3c2CCC3)cn1CC1CC1	EMOLS-id_317023301,MCULE-4199795934,ZINC22_1775993597	349.451	SEJLCMVVPOXPER-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-098710
CC(c1nnc2n1CCC2)NS(=O)(=O)c1ccc(c(c1)N(C)C)C	EMOLS-id_49110478,MCULE-3683774599,PC-id_71969841	349.451	HJVRFHGHRSMSAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098711
CC/C=C(C)/C(=O)N1CSC[C@@H]1C(=O)NCc1nnc2n1CCC2	PC-id_97869147,ZINC22_97299729	349.451	SJPJJCZBLLMKMM-JXDHDYMSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098712
CC/C=C(C)/C(=O)N1CSC[C@H]1C(=O)NCc1nnc2n1CCC2	ZINC22_97299731,PC-id_97869148	349.451	SJPJJCZBLLMKMM-JVOXIWMLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098713
CCC=C(C(=O)N1CSCC1C(=O)NCc1nnc2n1CCC2)C	MCULE-9683829811,PC-id_53620938,EMOLS-id_36666952	349.451	SJPJJCZBLLMKMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098714
CC/C=C(C(=O)N1CSC[C@@H]1C(=O)NCc1nnc2n1CCC2)/C	PC-id_95346483	349.451	SJPJJCZBLLMKMM-DKRCXCIFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098715
CC/C=C(C(=O)N1CSC[C@H]1C(=O)NCc1nnc2n1CCC2)/C	PC-id_95346484	349.451	SJPJJCZBLLMKMM-QJGQKNTRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098716
Cn1nc(cc1NS(=O)(=O)c1cnc2n1CCC2)C1CCCCC1	EMOLS-id_97705373	349.451	JNHMKHYXZPISJF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098717
O=C1NCC[NH+](C1CC(=O)NCc1n2CCCc2nn1)CCC(C)C	PC-id_74825429	349.451	DCSVBNQJBOIVBC-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-098718
O=C1NCC[NH+]([C@H]1CC(=O)NCc1n2CCCc2nn1)CCC(C)C	PC-id_42592671	349.451	DCSVBNQJBOIVBC-ZDUSSCGKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-098719
O=C1NCC[NH+]([C@@H]1CC(=O)NCc1n2CCCc2nn1)CCC(C)C	PC-id_42592673	349.451	DCSVBNQJBOIVBC-CYBMUJFWSA-O	00000010100010000001000010000000000000000000000000000000	25-01-098720
O=C(N1CCC(C1)N1CCCC1=O)NCCc1cn2c(n1)SCC2	EMOLS-id_100342080	349.451	QDRTUAUKOPAAET-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098721
O=S(=O)(c1cnc2n1CCC2)Nc1n[nH]c(c1)C1CCCCCC1	EMOLS-id_97705286	349.451	QLZPLLNWKHULMY-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-098722
CC(C)Cc1nnc(NC(=O)CN(C)Cc2nnc3n2CCC3)s1	ZINC22_95969849,PC-id_75428919,MCULE-1709248159,EMOLS-id_48795697	349.454	FPISIPNFSATLFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098723
CCCCCc1nnc(NC(=O)NCCc2nnc3n2CCC3)s1	MCULE-1605479763,EMOLS-id_44582658,ZINC22_84743235,PC-id_71857265	349.454	LIFADIQYKCDLPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098724
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc([nH]2)CCCCC(=O)O)O	PC-id_102506067	349.464	DJEFJSWINLUAAH-DXRIFJDVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098725
CCCCC[C@H](/C=C/[C@H]1[C@H](O)Cc2c1cc([nH]2)CCCCC(=O)O)O	PC-id_102506068	349.464	DJEFJSWINLUAAH-MJUDASDPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098726
CCC(NC(=O)c1sc2c(c1)CS(=O)(=O)C2)Cc1ccccc1	PC-id_122176116	349.468	IBLUIZUKBCZIBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098727
C[C@H](NC(=O)c1sc2c(c1)CS(=O)(=O)C2)CCc1ccccc1	CoCoCo_2175367	349.468	MOQXLRDGJQLMFA-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098728
C[C@@H](NC(=O)c1sc2c(c1)CS(=O)(=O)C2)CCc1ccccc1	CoCoCo_2175368	349.468	MOQXLRDGJQLMFA-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098729
CCN(C(=O)c1cc2c(s1)CCC2)S(=O)(=O)c1ccc(C)cc1	PC-id_75416539,EMOLS-id_48219897,MCULE-9946386648,ZINC22_95367716	349.468	NXZDSBRYYPPLBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098730
COc1ccc(cc1OC)CCNC(=O)c1sc2c(c1)CSC2	CoCoCo_2133835,PC-id_20864695	349.468	BERLVFMONUEDLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098731
CS(=O)(=O)Cc1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	MCULE-6777136183,ZINC22_58421358,PC-id_51088455,EMOLS-id_33310807	349.468	NVQDYWSODUATQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098732
O=C(N[C@@H]1CC[N@H+](CC1)C1CC1)COC(=O)c1sc2c(c1)CCC2	GD-id_ZINC28078566	349.468	SULRVKKVWUSEIM-UHFFFAOYSA-O	00100010100010000000100010000000000000000000000000000000	25-01-098733
s1c2CCCc2cc1C(=O)NC(c1ccc(S(=O)(=O)C)cc1)C	PC-id_51247147	349.468	YTNTTYFUCKZUGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098734
S1(=O)(=O)Cc2c(sc(c2)C(=O)NC(CCc2ccccc2)C)C1	PC-id_20882732	349.468	MOQXLRDGJQLMFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098735
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)/C=C/c1ccccc1	PC-id_117054882	349.469	UDQKILPWOWOAPJ-CCEZHUSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098736
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C=Cc1ccccc1	PC-id_92109791	349.469	UDQKILPWOWOAPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098737
s1c2C[NH+](Cc2cc1C(=O)NCc1ccccc1)Cc1ccccc1	PC-id_4251727	349.469	QBLRIOBCXBFVKV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-098738
CC1OC(C)CN(C1)C(CNC(=O)NC1CC(n2c1ncc2)C)(C)C	EMOLS-id_101435151	349.471	MYQSKLCZLYWPFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098739
CC(CC1CCN(C1)C(=O)OC(C)(C)C)NCc1nnc2n1CCC2	EMOLS-id_316293558,MCULE-1339124369	349.471	UTZUAYAAMBWACZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098740
CC(C)(C)OC(=O)N1CCCC(CC1)NCCc1nnc2n1CCC2	EMOLS-id_49930142,MCULE-6827333042,PC-id_86787423	349.471	GUGDEYDWBWTXQH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098741
CC(C)(C)OC(=O)N1CCC[C@@H](NCCc2nnc3n2CCC3)CC1	PC-id_99853611,ZINC22_195558467	349.471	GUGDEYDWBWTXQH-CQSZACIVSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098742
CC(C)(C)OC(=O)N1CCC[C@H](NCCc2nnc3n2CCC3)CC1	PC-id_99853612,ZINC22_195558469	349.471	GUGDEYDWBWTXQH-AWEZNQCLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098743
C[C@@H](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)NCc1nnc2n1CCC2	ZINC22_1775993666	349.471	UTZUAYAAMBWACZ-KBPBESRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098744
C[C@H](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)NCc1nnc2n1CCC2	ZINC22_1775993667	349.471	UTZUAYAAMBWACZ-KGLIPLIRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098745
C[C@@H](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)NCc1nnc2n1CCC2	ZINC22_1775993668	349.471	UTZUAYAAMBWACZ-UONOGXRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098746
C[C@H](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)NCc1nnc2n1CCC2	ZINC22_1775993669	349.471	UTZUAYAAMBWACZ-ZIAGYGMSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098747
CCOC1CC(C1(CC)CC)NC(=O)NCCc1nnc2n1CCC2	PC-id_75378388,MCULE-4363809305,EMOLS-id_48254617	349.471	VKCDZWDWORNVBQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098748
CCO[C@@H]1C[C@H](NC(=O)NCCc2nnc3n2CCC3)C1(CC)CC	PC-id_97048910,ZINC22_86428674	349.471	VKCDZWDWORNVBQ-UONOGXRCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098749
CCO[C@H]1C[C@@H](NC(=O)NCCc2nnc3n2CCC3)C1(CC)CC	ZINC22_86428671,PC-id_97048907	349.471	VKCDZWDWORNVBQ-KGLIPLIRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098750
CCO[C@H]1C[C@H](NC(=O)NCCc2nnc3n2CCC3)C1(CC)CC	ZINC22_86428672,PC-id_97048908	349.471	VKCDZWDWORNVBQ-KBPBESRZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098751
CCO[C@@H]1C[C@@H](NC(=O)NCCc2nnc3n2CCC3)C1(CC)CC	ZINC22_86428673,PC-id_97048909	349.471	VKCDZWDWORNVBQ-ZIAGYGMSSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098752
CN1CCC(CC1)OCCCNC(=O)c1nn2c(c1)CC(C2)N(C)C	MCULE-5062043029	349.471	YISKYUCGPWETJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098753
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCCCOC1CCN(C)CC1	MCULE-9050114545,EMOLS-id_316326709	349.471	YISKYUCGPWETJZ-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098754
CN(CC(=O)N1CCc2c1cc(s2)C(=O)NCc1cccs1)C	PC-id_97524459	349.471	YREQBALMRFCRCD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098755
CN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1cccs1	PC-id_8966118,ZINC22_7847059,EMOLS-id_3636501,MCULE-4538484568,CoCoCo_3581025,CoCoCo_3581026	349.471	MOGPPGQRSVJIQG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098756
O=C(c1csc(n1)C1CCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102181764	349.471	ZQKGAJDRCQPILC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098757
O=C(N1CCCC(CC1)NC(c1nnc2n1CCC2)C)OC(C)(C)C	PC-id_113361501	349.471	GGTOMLLONVWVDM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098758
O=C(Nc1nc(CN2CCOCC2)cs1)c1cc2c(s1)CCC2	ZINC22_58267285,PC-id_51072839,EMOLS-id_31845093,MCULE-8403840756	349.471	INCPAECKRNHBMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098759
O=C(NCc1nnc2n1CCC2)NCC1(O)CCC(CC1)C(C)(C)C	PC-id_111115131	349.471	KXDOCDQQZFHCIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098760
O=C(OC(C)(C)C)NCC1CCCC1NC(c1nnc2n1CCC2)C	PC-id_113242250	349.471	KIIPMODZIPWAFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098761
O=S1CCN(C(C1)c1cnn(c1)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_111264482	349.471	ZSFWBRHUTKYJQP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098762
O=S(=O)(c1cnc2n1CCC2)N1CCSCC1c1ccccc1	EMOLS-id_100222132	349.471	REOLJUDLHMAASX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-098763
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccsc1)C)C(=O)N	PC-id_9054611	349.471	HLWIZUFWRKKASZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098764
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)C)C#N	PC-id_8766916	349.471	WAEPNRKXLCUONH-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-098765
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)CC)C#N	PC-id_8907484	349.471	KGAMSDYQMBUCNS-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-098766
s1c2c(CCC2)c(c1NC(=O)N1CC[NH+](CC1)CC(=C)C)C(=O)N	PC-id_40961174	349.471	MZWKOPLGUVQJLG-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-098767
c12SCCn1cc(CNC(=O)c1cnc(CN3CCCC3)s1)n2	MCULE-4706434621,PC-id_74231991,ZINC22_97259309,EMOLS-id_49642816	349.474	BESPWARNCWRCLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098768
C1CC(N(C1)c1nccs1)CNC(=O)Cn1c2c(CSC2)cn1	PC-id_90633153	349.474	UOXSCAQXSAJYHK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098769
CCNC(=NCc1nnc2n1CCC2)NCC(N1CCOCC1)(C)C	PC-id_111020381	349.474	YJBKKJKZWLFIND-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098770
CN=C(NCc1nnc2n1CCC2)NCC1OCCN(C1)CC(C)C	PC-id_111020463	349.474	MMSUSUIHEYYDPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098771
CN=C(NCc1nnc2n1CCC2)NCC(N1CCOCC1)C(C)C	PC-id_111020589	349.474	ZDRVJBGYIHWYAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098772
O=C(CN1CCN(c2nccs2)CC1)Nc1nc2c(s1)CCC2	ZINC22_52359276,EMOLS-id_36275709,PC-id_53525446,MCULE-4248242220	349.474	IBQXYBSAUNPOOI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098773
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)O	MCULE-7807916423,EMOLS-id_179129550,PC-id_28860301	349.488	BBACRYCDMXDWER-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098774
CCCCc1c(CCC)cc2n1C(=O)C(=C2SCC)C(=O)OCC	TIMTEC364979,MCULE-9456120095,ZINC22_5591160,PC-id_3383296	349.488	OSWVUZCDFKZYNC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-098775
CCOC(=O)c1c(NC(=O)CCC2CCCCC2)sc2CCCc12	EMOLS-id_327998294,PC-id_3465422,MCULE-5905561597	349.488	YRAYPWGDSAMASE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098776
s1c2CCCc2cc1C(=O)OC(C(=O)NC1C(C(CCC1)C)C)C	PC-id_73138146	349.488	ZQZQGIWLGVBGLD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098777
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@@H]1[C@@H]([C@@H](CCC1)C)C)C	PC-id_11909547	349.488	ZQZQGIWLGVBGLD-BHPKHCPMSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098778
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](CCC1)C)C)C	PC-id_11909548	349.488	ZQZQGIWLGVBGLD-JLNYLFASSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098779
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@H]1[C@@H]([C@@H](CCC1)C)C)C	PC-id_11909549	349.488	ZQZQGIWLGVBGLD-RGCMKSIDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098780
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@H]1[C@@H]([C@H](CCC1)C)C)C	PC-id_11909550	349.488	ZQZQGIWLGVBGLD-KYEXWDHISA-N	00000010100010000000000010000000000000000000000000000000	25-01-098781
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCCCC	PC-id_18205435	349.488	SZJKYUSYUSGVBW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098782
C1Cc2c(C1)sc(c2C(=N)OC1CCC(CC1)N1CCOCC1)N	PC-id_137157290	349.491	GNZYUNLCSOANBC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098783
c1(cc2c(CCC2)s1)C(=O)N1CCC(O)(CN2CCN(CC2)C)C1	BDE-32165835,MCULE-7739224616,EMOLS-id_251869	349.491	ZJJUDSRVKCZIJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098784
Brc1sc(C(O)c2sc3c(CCC3)c2)cc1Cl	PC-id_80533373	349.694	AGGLZUVWFHEOSB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-098849
CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@H]3[C@H]3CCCO3)nc12	ZINC22_333618895	349.491	ZDINUWKIHZFDCC-BXUZGUMPSA-N	00001010100000000001100010000000000000000000000000000000	25-01-098785
CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)nc12	ZINC22_333618897	349.491	ZDINUWKIHZFDCC-FZMZJTMJSA-N	00001010100000000001100010000000000000000000000000000000	25-01-098786
CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)nc12	ZINC22_333618898	349.491	ZDINUWKIHZFDCC-RISCZKNCSA-N	00001010100000000001100010000000000000000000000000000000	25-01-098787
CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@H]3[C@@H]3CCCO3)nc12	ZINC22_333618899	349.491	ZDINUWKIHZFDCC-SMDDNHRTSA-N	00001010100000000001100010000000000000000000000000000000	25-01-098788
CCCC(=O)N1CCCCC1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180219	349.491	QSJOBLXJBMIFRN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098789
CCC(=O)N1Cc2c(C1)nc(s2)OC1CCCN(CC1)C1CCC1	SCHEMBL176847,PC-id_56848661	349.491	YUNNYLNXZGMROC-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-098790
CCC(=O)NC1Cc2c(C1)nc(s2)OC1CCN(CC1)C1CCC1	PC-id_66614226,SCHEMBL175052	349.491	GVJZCHPUQPUQHA-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-098791
CCC(=O)NC1CCc2c1sc(n2)OC1CCN(CC1)C1CCC1	SCHEMBL175024,PC-id_66614208	349.491	ZTHXYIDYEPHXTI-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-098792
CN1CCN(C[C@]2(O)CCN(C(=O)c3cc4c(s3)CCC4)C2)CC1	ZINC22_257341214	349.491	ZJJUDSRVKCZIJF-GOSISDBHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098793
CN1CCN(C[C@@]2(O)CCN(C(=O)c3cc4c(s3)CCC4)C2)CC1	ZINC22_257341215	349.491	ZJJUDSRVKCZIJF-SFHVURJKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098794
O=C(C1CCCCN1C(=O)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180225	349.491	LMYBGFYAJSVTGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098795
O=C(C1COCCN1C1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102164176	349.491	PPPIJAJYZXDFQL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098796
O=C(c1sc2c(c1)CCC2)NC1CCN(CC1)C(=O)NC(C)(C)C	EMOLS-id_110690451	349.491	XPAYWCFRDDTZAY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098797
OCC(C(C)(C)C)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_112386334	349.491	SENOWKCSGLCGPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098798
O=C(CN(C1CCCC1)CC1CCCO1)Nc1sc2c(n1)CCC2	MCULE-9085018300,EMOLS-id_101059132	349.491	LLLHOOGMFRVVBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098799
O=C(CN(C[C@@H]1CCCO1)C1CCCC1)Nc1nc2c(s1)CCC2	ZINC22_72716082	349.491	LLLHOOGMFRVVBZ-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098800
O=C(CN(C[C@H]1CCCO1)C1CCCC1)Nc1nc2c(s1)CCC2	ZINC22_72716085	349.491	LLLHOOGMFRVVBZ-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098801
O=C(N1CC(C1C1CCCO1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	MCULE-8510042055,EMOLS-id_102010653	349.491	ZDINUWKIHZFDCC-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-098802
O=C(N1CCC(C1)C1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005586	349.491	HWQJCZPUODLJEQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098803
O=C(N1CCCC1C1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005727	349.491	FWBASECCIOECIB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098804
O=C(N1CCC(CC1)C1CCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007266	349.491	MAFZZLYTFGWQIK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098805
O=C(N1CCC(CC1)OC1CCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102012733	349.491	BXQWAXKOJALKOJ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-098806
O=C(N1CCC(CC1)OCC1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003660	349.491	KPMAEHGTZSSTJQ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-098807
O=C(N1CCCC(C1)OCC1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007182	349.491	YCTJCRUNYSLCCN-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-098808
O=C(N1CCOCC(C1)C1CCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010710	349.491	PFYAEABNAKLAKR-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-098809
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCCCCCC1)C)C(=O)N	PC-id_9460548	349.491	CDOHSMOCCAWMQQ-LBPRGKRZSA-N	00000010100000000100000010000000000000000000000000000000	25-01-098810
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCCCCCC1)C)C(=O)N	PC-id_9460551	349.491	CDOHSMOCCAWMQQ-GFCCVEGCSA-N	00000010100000000100000010000000000000000000000000000000	25-01-098811
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@@H](C[C@@H](C1)C)C)C)C(=O)N	PC-id_9430916	349.491	WRMSRIJUMOCNEH-TUAOUCFPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098812
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@H](C[C@@H](C1)C)C)C)C(=O)N	PC-id_9430918	349.491	WRMSRIJUMOCNEH-SRVKXCTJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098813
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@@H](C[C@H](C1)C)C)C)C(=O)N	PC-id_9430920	349.491	WRMSRIJUMOCNEH-UTUOFQBUSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098814
s1c2c(CCC2)c(c1NC(=O)C(N1CC(CC(C1)C)C)C)C(=O)N	PC-id_24506611	349.491	WRMSRIJUMOCNEH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098815
s1c2c(CCC2)c(c1NC(=O)C(N1CCCCCCC1)C)C(=O)N	PC-id_24506637	349.491	CDOHSMOCCAWMQQ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-098816
s1c(CN(CC2N(C(=O)N(C(=O)C2)C)C)C(C)C)cc2c1CCC2	PC-id_76459122	349.491	AQCQKJJUPVPHDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098817
CS(=O)(=O)N=S1(=O)CCN(CC1)Cc1sc2c(n1)CCC2	EMOLS-id_257988146,MCULE-6029018163	349.493	IFDQUYFLSDPOFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098818
c1(NC(=O)CSc2scc(CC)n2)sc2c(CCC2)c1C#N	MCULE-4063934698,EMOLS-id_324911931	349.494	MDUVNSOVCFPHKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098819
CC1CC(CN1C(=O)NCCc1cn2c(n1)SCC2)N1CCCC1	EMOLS-id_98893976	349.494	SXCKXZYHZIYKHS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098820
CC1CN(CCN(C1)C(=O)NCCc1cn2c(n1)SCC2)C1CC1	EMOLS-id_101656528	349.494	YUURHFWRXCLGKM-UHFFFAOYSA-N	00100010100000000101100010000000000000000000000000000000	25-01-098821
CCN1CCC2N(C(C1)CC2)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99899934	349.494	WQXQQNSGYGQAQM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098822
O=C(N1CCC(C1C)N1CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99073646	349.494	AILZGJPUITYOCG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-098823
O=C(N1CCC(C1)N1CCCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99855092	349.494	ITPGFEDCCZKKSJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098824
O=C(N1CCC(CC1)C1CCCN1)NCCc1cn2c(n1)SCC2	EMOLS-id_101890405	349.494	UFLVOVCHVBLCLB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098825
O=C(N1CCC(CC1)C1CNCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_101890375	349.494	KRWBTOSTPBBSTR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098826
O=C(N1CCCC(C1)C1CNCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_101890384	349.494	UHKRAUFWTUQWKX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098827
O=C(N1CCN(CC1)C1CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99896595	349.494	TXHZHQWLHUWTGX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098828
s1c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc2c1CCC2	PC-id_40843004	349.511	FREBHKWAOYDFCD-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-098829
CCC1SCCN(C1)C(C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_99786463	349.514	DGSQHPDESKIWDW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098830
N#Cc1c(NC(=O)C(N2CCSC(C2)(C)C)C)sc2c1CCC2	EMOLS-id_100891869	349.514	DMXOGSOXWODWNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098831
N#Cc1c(NC(=O)C(N2CCSC(CC2)C)C)sc2c1CCC2	EMOLS-id_100582555	349.514	FKGAJPXTLCKGKH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-098832
s1c2CCCc2c(c1NC(=S)NC(=O)CCCCCCC)C#N	PC-id_4959013	349.514	MUJJJHQLFGGEIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098833
CCNC(=NCc1nnc2n1CCC2)NC(CCCN(CC)CC)C	PC-id_110999923	349.517	LKLNKWFRYPZKMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098834
CCNC(=NCc1nnc2n1CCC2)NCCCN(C(C)C)C(C)C	PC-id_111692794	349.517	YJSJVMSYWJQPLA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098835
CCCCCCCCCCCCCCN1C(=O)c2c(C1=O)csc2	PC-id_89515190,SCHEMBL14881169	349.531	CFSKNWSSXQUUKG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098836
CCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16604917,PC-id_117982902	349.531	ZFYULRNGBYSRPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098837
CCCCCCC(CN1C(=O)c2c(C1=O)c(sc2C)C)CCCC	PC-id_117982909,SCHEMBL16604924	349.531	KJWYWGDYSYJDTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098838
CCCCCCN1C(=O)c2c(C1=O)c(sc2C(C)(C)C)C(C)(C)C	PC-id_145599084	349.531	WWDOUHXCBRAHCG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098839
CC1CCCN(C1)CCCNC(=O)c1sc2c(c1)CN(C2)C(C)C	PC-id_53171062	349.534	CONFFJAVLKMSCT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098840
CC1CCN(CC1)CCCNC(=O)c1sc2c(c1)CN(C2)C(C)C	PC-id_53171259	349.534	GTTXEDFNGRSOCB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098841
CCC1CCCCN1CCNC(=O)c1sc2c(c1)CN(C2)C(C)C	PC-id_53171061	349.534	QEKVUKWZKKLFKM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098842
C[C@@H]1CCCN(C1)CCCNC(=O)c1sc2c(c1)CN(C2)C(C)C	PC-id_95101999	349.534	CONFFJAVLKMSCT-OAHLLOKOSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098843
C[C@H]1CCCN(C1)CCCNC(=O)c1sc2c(c1)CN(C2)C(C)C	PC-id_95102000	349.534	CONFFJAVLKMSCT-HNNXBMFYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-098844
OC1CCCCC1N1CCC(CC1)NC(c1sc2c(n1)CCC2)C	PC-id_110017307	349.534	CTUWPNOJWMECKA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-098845
s1c(nc2c1CCC2)CN1CCN(CC1)C(=O)C(CCC)CCC	PC-id_44060293	349.534	ZBFPASOIHKMXCD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098846
Fc1cccc(Cl)c1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324908040	349.691	QAJIVZJFKKXIMN-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098847
n12c(=O)c(=Cc3c(cccc3F)Cl)sc1nc(C(F)(F)F)n2	MCULE-4783690331	349.691	QAJIVZJFKKXIMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098848
NC(c1sc(c(c1)Br)Cl)c1sc2c(n1)CCC2	PC-id_113743821	349.697	SCYJIJKKRMBIHF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098851
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1cc(OC)cc(OC)c1	SCHEMBL11065096,PC-id_20456516	349.766	WDXYQVNIHDTJCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098852
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(OC)ccc(Cl)c1)CC	MCULE-5757992977,SPECS-id_AN-153/NB21588,STOCK6S-68061,PC-id_135649938,EMOLS-id_24576798	349.772	WMFPKWZYJCMAEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098853
Cc1nn2C(NNc2c1Cl)CCNC(=O)c1ccccc1C(=O)O	PC-id_136070277	349.772	LCUGWGDHGKVQTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098854
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)N2	PC-id_135901974,ZINC22_20721917	349.772	WMFPKWZYJCMAEF-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098855
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)N2	ZINC22_20721918,PC-id_135901975	349.772	WMFPKWZYJCMAEF-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-098856
Clc1c(cc(NC(=O)NCc2n3CCCc3nn2)cc1)C(=O)OC	PC-id_60455753	349.772	GKWNJXKCYQOMNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098857
COC(=O)c1c(NC(=O)NCc2ccc(nc2)Cl)nc2n1CCC2	EMOLS-id_319815447	349.772	VVDQRYHREZNXAR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098858
O=C(c1n[nH]c2c1CCC2)N1CCOC(C1)c1ccc(c(c1)Cl)F	EMOLS-id_110420186	349.787	LLHLCNNNGNZXDO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-098859
COC(=O)CC(c1ccc(cc1)Cl)N1C(=O)c2cscc2C1=O	SCHEMBL15015447,PC-id_89617332	349.789	QEKCXNMDGKELSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098860
Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)C1NCc2c1c[nH]n2	EMOLS-id_318841733	349.79	XKZPDVDKYKENKV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-098861
Clc1c(cc([N+](=O)[O-])cc1)C=NNC(=O)c1sc2CCCc2c1	PC-id_85015399	349.792	SNVQLNIDSFABCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098862
Clc1c([N+](=O)[O-])cc(C=NNC(=O)c2sc3CCCc3c2)cc1	PC-id_85015539	349.792	DVLVCDSQDJVFFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098863
n12nc(nc1sc(=Cc1cc(Cl)ccc1OC(=O)C)c2=O)CC	MCULE-4229224449	349.792	CBYHJKDHQQSLJN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098864
CCOc1ncc(cc1Cl)C(=O)Nc1nc2n(c1C#N)CCS2	MCULE-7911904924,EMOLS-id_172306765	349.795	QZTIRJFKHNENBF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098865
c12CN(Cc1cnn2CCO)C(=O)C(C)Oc1ccc(cc1C)Cl	MCULE-1601832774,PC-id_56758367,EMOLS-id_36612328	349.812	AZIUZRYUOXOEKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098866
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1Cc2cnn(CCO)c2C1	PC-id_95227850,ZINC22_67954483	349.812	AZIUZRYUOXOEKS-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098867
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1Cc2cnn(CCO)c2C1	ZINC22_67954484,PC-id_95227851	349.812	AZIUZRYUOXOEKS-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098868
CCCOc1c(Cl)cc(C(=O)N2CCn3nccc23)cc1OCC	EMOLS-id_177243102,MCULE-6770482797,ZINC22_367013710	349.812	BDYTWVQANIJUFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098869
ClC1=CCC(C(C1)C(=O)Nc1sc2c(CCC2)c1C#N)C(=O)[O-]	PC-id_78471065	349.812	RILGFZUVCUWCTR-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-098870
Clc1c(CNC(=O)COC(=O)c2sc3CCCc3c2)cccc1	PC-id_7623834	349.832	KKFQCIKIVMMPFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098932
ClC1=CC[C@H]([C@@H](C1)C(=O)Nc1sc2c(CCC2)c1C#N)C(=O)[O-]	PC-id_7310255	349.812	RILGFZUVCUWCTR-GHMZBOCLSA-M	00000010100011000000000010000000000000000000000000000000	25-01-098871
ClC1=CC[C@H]([C@H](C1)C(=O)Nc1sc2c(CCC2)c1C#N)C(=O)[O-]	PC-id_7310256	349.812	RILGFZUVCUWCTR-MNOVXSKESA-M	00000010100011000000000010000000000000000000000000000000	25-01-098872
ClC1=CC[C@@H]([C@@H](C1)C(=O)Nc1sc2c(CCC2)c1C#N)C(=O)[O-]	PC-id_7310257	349.812	RILGFZUVCUWCTR-WDEREUQCSA-M	00000010100011000000000010000000000000000000000000000000	25-01-098873
ClC1=CC[C@@H]([C@H](C1)C(=O)Nc1sc2c(CCC2)c1C#N)C(=O)[O-]	PC-id_7310259	349.812	RILGFZUVCUWCTR-QWRGUYRKSA-M	00000010100011000000000010000000000000000000000000000000	25-01-098874
O[C@@H]1CC(C[C@H]1NC(=O)c1occ2c1CCC2)Cn1ncc(c1)Cl	PC-id_145910527,MCULE-1838879414,EMOLS-id_323989191	349.812	FCUCFDQFTNUHRQ-VRFXOJNMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098875
O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1occ2c1CCC2	ZINC22_1875402298	349.812	FCUCFDQFTNUHRQ-COLVAYQJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098876
O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1occ2c1CCC2	ZINC22_1875402299	349.812	FCUCFDQFTNUHRQ-VCTAVGKDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098877
CC1=CC(=Nc2c(n3CCCn3c2=O)NC(C)C)C(=N)C(C1=O)Cl	PC-id_136613536	349.815	LAGNIZRNNJLJMN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-098878
CCCOc1ccc(cc1Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N	EMOLS-id_319597903	349.815	VJNXAEWAJYBAOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098879
CCCOc1ccc(cc1NC(=O)N1Cc2c(C1)c(n(n2)C)N)Cl	EMOLS-id_319426895	349.815	MAHNVDPFPRKLTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098880
C[C@@H](CNC(=O)NCc1nnc2n1CCC2)Oc1cccc(Cl)c1	ZINC22_78933076,PC-id_96517527	349.815	ASNJYWLBDDVTOU-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-098881
C[C@H](CNC(=O)NCc1nnc2n1CCC2)Oc1cccc(Cl)c1	ZINC22_78933084,PC-id_96517528	349.815	ASNJYWLBDDVTOU-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098882
CC(Nc1n2CCCn2c(=O)c1/N=C/1C=C(C)C(=O)C(=C1N)Cl)C	PC-id_57578041,SCHEMBL13964133	349.815	UJDVCLPVZPRPRX-KEBDBYFISA-N	00000010100011000001000010000000000000000000000000000000	25-01-098883
CC(Nc1n2CCCn2c(=O)c1/N=C
/C=C(C)C(=O)C(=C1N)Cl)C	SCHEMBL3857599	349.815	UJDVCLPVZPRPRX-JMIUGGIZSA-N	00000010100011000001000010000000000000000000000000000000	25-01-098884
CC(Nc1n2CCCn2c(=O)c1N=C1C=C(C)C(=O)C(=C1N)Cl)C	SCHEMBL3857602	349.815	UJDVCLPVZPRPRX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-098885
CC(Oc1c(cccc1Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319044370	349.815	ULMVBHXFTMBWRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098886
CC(Oc1ccc(c(c1)Cl)NC(=O)N1Cc2c(C1)c(n(n2)C)N)C	EMOLS-id_319379640	349.815	YXOJEWWVARVZOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098887
CCOc1c(Cl)cccc1NC(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_36279814,MCULE-8520488535,PC-id_53525054,ZINC22_65468092	349.815	RTRIAQXVPMPCIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098888
CCOc1c(Cl)cccc1NC(=O)NCCc1nnc2n1CCC2	EMOLS-id_49103042,PC-id_71972782,ZINC22_86283999,MCULE-3218082074	349.815	NVFPFAGXQWJZRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098889
Clc1cc(NC(=O)NCc2n3CCCc3nn2)c(OCCC)cc1	PC-id_60487525	349.815	GAGUFNYPHYOARK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098890
Clc1cc(OC(CNC(=O)NCc2n3CCCc3nn2)C)ccc1	PC-id_71870663,MCULE-4654722107,EMOLS-id_43653303	349.815	ASNJYWLBDDVTOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098891
Clc1c(OCCC)ccc(NC(=O)NCc2n3CCCc3nn2)c1	PC-id_60488443	349.815	AZQGQPKZCZSMPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098892
Clc1c(OC(CNC(=O)NCc2n3CCCc3nn2)C)cccc1	EMOLS-id_43653305,PC-id_71870662,MCULE-7891220124	349.815	YJLJTLXGJOLZND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098893
COc1ccc(Cl)cc1NCCC(=O)NCc1nnc2n1CCC2	ZINC22_58332594,PC-id_51096657,EMOLS-id_32120209,MCULE-9461029179	349.815	AWYFUFBJSCEYAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098894
COc1ccc(Cl)cc1NCC(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_35764115,ZINC22_65615174,MCULE-1253198295,PC-id_53552174	349.815	AXZQNOPGKJPAAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098895
OCC(c1ccc(cc1)Cl)NC(=O)NCCc1nnc2n1CCC2	PC-id_109952358	349.815	DDPRKJVTCJCEQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098896
O[C@@H]1CC(C[C@H]1NC(=O)c1cnc2n1CCC2)Cn1ncc(c1)Cl	MCULE-7483121782,EMOLS-id_323988165,PC-id_146110092	349.815	QRQOQBIRUOIFLD-HCGVIMEBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098897
O=C(NCc1nnc2n1CCC2)NC[C@@H](Oc1ccccc1Cl)C	PC-id_96517529	349.815	YJLJTLXGJOLZND-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-098898
O=C(NCc1nnc2n1CCC2)NC[C@H](Oc1ccccc1Cl)C	PC-id_96517530	349.815	YJLJTLXGJOLZND-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098899
O=C(NCC(c1ccccc1Cl)O)NCCc1nnc2n1CCC2	PC-id_112046042	349.815	FMUOULGLAGVRCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098900
O=C(N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1cnc2n1CCC2	ZINC22_1857531219	349.815	QRQOQBIRUOIFLD-JKOKRWQUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098901
O=C(N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O)c1cnc2n1CCC2	ZINC22_1857531220	349.815	QRQOQBIRUOIFLD-OSMZGAPFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098902
O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cnc2n1CCC2	ZINC22_1875403134	349.815	QRQOQBIRUOIFLD-MPKXVKKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098903
O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cnc2n1CCC2	ZINC22_1875403135	349.815	QRQOQBIRUOIFLD-ZKYQVNSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098904
Clc1sc2CCC(Nc3ccc(SC(F)(F)F)cc3)c2c1	PC-id_81234816	349.822	RIUJDEXWCSLQDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098905
Clc1sc2CCC(Nc3c(SC(F)(F)F)cccc3)c2c1	PC-id_81234354	349.822	YFMUMWZWGQBKGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098906
CC(c1cc2n(n1)CCC2)N[C@@H]1CCO[C@H]1c1ccc(c(c1)F)Cl	EMOLS-id_319352622	349.83	SSSUISWBFLFDBH-APTIMPFDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-098907
c1(c2CCCc2sc1NC(=O)CCl)C(=O)c1ccccc1OC	ASN-17326342,PC-id_18525169,MCULE-5648087027,EMOLS-id_11478389	349.832	FDDMRXSZBNHFIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098908
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1257632,SCHEMBL8289604,PC-id_766958,STOCK3S-08933,CoCoCo_112756,BAS-00664479,TIMTEC212476,ZINC22_244046,MCULE-6252660607	349.832	IEZDBNMRQJCBOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098909
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_642092,BAS-00570357,STOCK1S-68301,MCULE-3105113034,ZINC22_64667,MS2_ST004116,ChEMBL-DNDi_CHEMBL1982-0259,PC-id_692938,CoCoCo_96723	349.832	VFKWHUKPBXSNOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098910
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_134996,SPECS-id_AE-848/34328023,PC-id_786576,ZINC22_284095,BAS-00795835,MCULE-3667154277,EMOLS-id_1277442,STOCK3S-28912	349.832	JUWAGZALCAMHJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098911
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-2476413443,TIMTEC316961,ChEMBL-DNDi_CHEMBL5697958,EMOLS-id_2368790,CoCoCo_683914,ZINC22_433764,PC-id_868756	349.832	MREZXTISAJLBBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098912
Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2	CoCoCo_2840936,PC-id_4803647,EMOLS-id_3464510,MCULE-9052006654,ZINC22_5308613	349.832	QZNXBMUIIBSDJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098913
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(Cl)ccc1O	PC-id_135576745,CoCoCo_3725065,ZINC22_4888987,EMOLS-id_206994516,STOCK3S-01595	349.832	MBVQTWADRHVFFH-DJKKODMXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098914
CCOC(=O)c1c2c(CCC2)sc1N=Cc1c(O)ccc(Cl)c1	EMOLS-id_26164678,MCULE-9848422490	349.832	MBVQTWADRHVFFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098915
CCOC(=O)C1Cc2c(C1)c(c(s2)N)C(=O)c1ccccc1Cl	PC-id_14071151,SCHEMBL9098480	349.832	WGILDIYITBSAKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098916
CCOC(=O)C1CCc2c1c(c(s2)N)C(=O)c1ccccc1Cl	SCHEMBL9386120,PC-id_14071150	349.832	VZFYHFHTBOLEAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098917
CCOC(=O)c1c(/N=Cc2cc(Cl)ccc2O)sc2c1CCC2	CoCoCo_3725066	349.832	MBVQTWADRHVFFH-OCKHKDLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098918
Clc1cc2n(CCC2(C(=O)c2cc(SC)ccc2)C(=O)OC)c1	PC-id_70549528,SCHEMBL11265494	349.832	NXMYDYNUDKMSJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098919
Clc1c(ccc(NC(=O)COC(=O)c2sc3CCCc3c2)c1)C	PC-id_7238922	349.832	YCQLHNNBXRNYLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098920
Clc1ccc(CNC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_7291951	349.832	YLZKWTWFCCVPHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098921
ClC1=C/C(=C/Nc2sc3c(CCC3)c2C(=O)OCC)/C(=O)C=C1	PC-id_24229420	349.832	KWMUNWASRJRROS-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-098922
ClC1=CC(=CNc2sc3c(CCC3)c2C(=O)OCC)C(=O)C=C1	PC-id_5614548	349.832	KWMUNWASRJRROS-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-098923
Clc1ccc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7238877	349.832	CGDQSQJFTVMWIY-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-098924
Clc1ccc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7238879	349.832	CGDQSQJFTVMWIY-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098925
Clc1cc(c(NC(=O)COC(=O)c2sc3CCCc3c2)cc1)C	PC-id_7238722	349.832	MBDZKCILPVMXMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098926
Clc1ccc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_42978405	349.832	CGDQSQJFTVMWIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098927
Clc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_7238703	349.832	MYJUPPAGGOZOSO-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-098928
Clc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_7238704	349.832	MYJUPPAGGOZOSO-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098929
Clc1c(c(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1)C	PC-id_7623824	349.832	SLPKDQMOOORAIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098930
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_16505582	349.832	MYJUPPAGGOZOSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098931
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(SC)cc1	PC-id_13068189,SCHEMBL11265492	349.832	CUEOHDHBIJJASW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098933
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_8358985	349.832	PWYQVILEWRSWOQ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-098934
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_8358993	349.832	PWYQVILEWRSWOQ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098935
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)ccc(c1)C	PC-id_7238932	349.832	YSBXXKNMKBBWCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098936
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_78674766	349.832	PWYQVILEWRSWOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098937
O=C(COC(=O)c1cc2c(s1)CCC2)NCc1cccc(Cl)c1	EMOLS-id_3475368,CoCoCo_2840736,PC-id_4828829,ZINC22_5308109,MCULE-3765021865	349.832	BFDNZCAWPPHKFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098938
OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)c1sc2c(c1)CCC2	PC-id_120210984,EMOLS-id_72051714,MCULE-5654967102	349.832	WQHQNEUGNNHSKT-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098939
CC1Cc2c(C1)sc(c2C(=O)N)NC(=O)Nc1ccc(cc1)Cl	SCHEMBL19807634,PC-id_134203588	349.835	ZWBSWHABDPKUPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098940
CCC(CC)c1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324854499	349.835	UUKLLPZLXOKAAB-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098941
CC(C(=O)Nc1sc2c(n1)CCC2)NC(=O)c1ccccc1Cl	PC-id_51108440,EMOLS-id_33325213,MCULE-5324277164	349.835	RHLYPNVCMNPTFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098942
C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2c(s1)CCC2	PC-id_94819581,ZINC22_58355237	349.835	RHLYPNVCMNPTFS-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098943
C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2c(s1)CCC2	ZINC22_58355235,PC-id_94819580	349.835	RHLYPNVCMNPTFS-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-098944
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCC)cc1	PC-id_16947358	349.835	BCRKNGKHPGCHCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098945
Clc1ccc(C(=O)NCCC(=O)Nc2sc3CCCc3n2)cc1	PC-id_26723191	349.835	GYPXLBOHGOXJQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098946
Clc1c(C(=O)NCCC(=O)Nc2sc3CCCc3n2)cccc1	PC-id_26723119	349.835	YCXPRMOPUQIWLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098947
n12c(=O)c(=Cc3cc(Cl)ccc3O)sc1nc(C(CC)CC)n2	MCULE-6016230739	349.835	UUKLLPZLXOKAAB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-098948
C1CC1C(=O)Nc1nc2c(s1)C(NN2)NCc1cc(ccc1)Cl	PC-id_89358882,SCHEMBL14531134	349.838	ZVCJUZMLASUVMP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-098949
ClCC(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)(C)C	PC-id_92109334	349.855	FGMQYCWTLNRXAG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-098950
Cn1nc2c(c1CN[C@H]1C[C@H](Cn3cc(Cl)cn3)C[C@@H]1O)CCC2	ZINC22_1857530835	349.858	LXLFGECBPIMPRX-KCTSRDHCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098951
Cn1nc2c(c1CN[C@H]1C[C@@H](Cn3cc(Cl)cn3)C[C@@H]1O)CCC2	ZINC22_1857530836	349.858	LXLFGECBPIMPRX-PJQXDXOGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098952
Cn1nc2c(c1CN[C@@H]1C[C@@H](Cn3cc(Cl)cn3)C[C@H]1O)CCC2	ZINC22_1875399907	349.858	LXLFGECBPIMPRX-RGYTYGDFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098953
Cn1nc2c(c1CN[C@@H]1C[C@H](Cn3cc(Cl)cn3)C[C@H]1O)CCC2	ZINC22_1875399908	349.858	LXLFGECBPIMPRX-UXEPBGEESA-N	00000010100000000001000010000000000000000000000000000000	25-01-098954
N#Cc1c(NC(=O)CSc2ncccc2Cl)sc2c1CCC2	CoCoCo_4537234,EMOLS-id_44036556,PC-id_41786870,ZINC22_11033544,MCULE-1398253524	349.858	QMRAYCJMFBDGGA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-098955
O[C@@H]1CC(C[C@H]1NCc1n(C)nc2c1CCC2)Cn1ncc(c1)Cl	EMOLS-id_320357785,MCULE-3983534552,PC-id_145911586	349.858	LXLFGECBPIMPRX-UNXNSXALSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098956
O=C(NC1Cc2cscc2C1)c1c[nH]nc1c1ccc(Cl)s1	ZINC22_1875349481	349.858	YYIVFTRFHCXEPJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-098957
Clc1nc2SCCn2c1CSCCN/C(=C/[N+](=O)[O-])/NC	PC-id_50878394	349.86	KMBFEMCNZVDJGF-RMKNXTFCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098958
Clc1nc2SCCn2c1CSCCNC(=C[N+](=O)[O-])NC	PC-id_75572672	349.86	KMBFEMCNZVDJGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098959
CCNC(=NCc1nnc2n1CCC2)N(Cc1cc(cn1C)Cl)C	PC-id_109714923	349.862	NRTPSOUTKLGBEQ-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-098960
OCCCN(C(=O)c1sc2c(c1)CCC2)Cc1cccc(c1)Cl	EMOLS-id_318282392	349.875	QEXNIGQNQRBLMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098961
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)C(C)(C)C)cc1	PC-id_7483972	349.878	HKWZBTRKSUVCBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098962
Clc1ccc(SCCCC(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536344	349.878	QKGRRQYMVQBPSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098963
O=C(Nc1c2CSCc2nn1C(C)(C)C)Cc1ccccc1Cl	PC-id_121030666	349.878	DCKMCNMJKZVPRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098964
Clc1sc(S(=O)(=O)NCCc2nc3SCCn3c2)cc1	PC-id_7640556	349.88	PERGVCOUPGCIKW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-098965
Br[B-]1(Br)CC([n+]2c1n(cc2)C(C)(C)C)(C)C	PC-id_139116803	349.901	BQVRNLFRMBXMML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-098966
C1CCOC(C1)OCC2=NN3CCOC3=C2I	PC-id_155019646	350.013	BCOSREKMBHPMIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-098967
CCOC(=O)/C=C/1CCC2=C1N(N=C2)CC3=C(C=C(C=C3)Cl)Cl	PC-id_153388169	350.059	JNTXYORWHCTHOX-YRNVUSSQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098968
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NC(=O)[O-]	PC-id_150042759	350.071	DJQDWHLZUBKVDL-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-098969
CC/C(=NS(=O)(=O)C1=CC=C(C=C1)C)/C2=C3N(CC(S3)C)N=N2	PC-id_154724191	350.087	FHIXUVJPHMFPIH-GHRIWEEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-098970
CNC(=O)NC1CCC2=C(NC=C12)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_150211775	350.095	FRQJZGUPUWAABD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098971
C[C@@H](O)C1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12	PC-id_9819792,PD086805	350.1	MRMBZHPJVKCOMA-ZUCSDGAKSA-N	00001011100000000001001010000000000000000000000000000000	25-01-098972
CN(C(CC1=CC=C(C=C1)F)C2CN3C=C(N=C3O2)[N+](=O)[O-])C(=O)O	PC-id_153874059	350.103	IXDHYQHOQSALBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098973
Brc1cc(c(NC(=O)NCc2n3CCCc3nn2)cc1)C	PC-id_60448833	350.214	NCHCRIAJYVVODE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098995
CC(C)N1C(=O)C[C@@H](C1=O)NC(=O)NC2=NC3=C(S2)CCC3(C)C	PC-id_164629791,ZINC22_333606322	350.141	XIACBTVCVJCHFE-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-098974
C1C2=C(CN1CC3=CC=CC=C3)NN=C2C(C4=CC=CC=C4F)C(=O)N	PC-id_153863703	350.154	SFVBKPKLFJGKRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098975
C1C2=C(CN1CC3=CC=CC=C3)NN=C2C(C4=CC=C(C=C4)F)C(=O)N	PC-id_153863704	350.154	BIZAOZBPKJWLEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098976
C1C2=C(CN1CC3=CC=CC=C3)NN=C2NC(=O)C(C4=CC=CC=C4)F	PC-id_153873220	350.154	SRXCNIGVHYKDSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098977
CC1=C2CN(C(=O)C2=CS1)C(C(=O)NC=O)C(C)(C)CC(C)(C)C	PC-id_153398339	350.166	LBFUOBSVPWWPGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-098978
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)Br)C	MCULE-3709770415,STOCK6S-75065,EMOLS-id_24585555,PC-id_42653203	350.171	RZDUMSSQIKJQRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098979
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2	ZINC22_20745953,PC-id_29140756	350.171	RZDUMSSQIKJQRJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098980
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2	ZINC22_20745954,PC-id_29140757	350.171	RZDUMSSQIKJQRJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-098981
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3(CCC3)[Si](C)(C)C)C	PC-id_153699729	350.177	QZLCIXHPTGLRDW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-098982
N#Cc1c(NC(=O)c2ccc(Br)nc2)nc2n1CCS2	ZINC22_173395648,MCULE-6526373833,PC-id_122144332	350.194	TUUZOGCDMNYXHM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-098983
Fc1cc(Cl)c(c(c1)Cl)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318222028	350.196	JZFZJPWVTOZPLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098984
CCCCC1(C2=CC=C(N2C(=O)N1OC)C)C#CCCC3=CC=CC=C3	PC-id_162352165	350.199	ZFUHFUFTPLOAKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098985
Brc1cc(CC2(O)CCc3c2[nH]c(c3)C(=O)OC)ccc1	PC-id_66873666,SCHEMBL1004599	350.207	GIBXPGPGMVPCQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098986
Brc1c(C(c2n3CCCc3nn2)C(=O)OCC)cccc1	PC-id_79482659	350.21	MKRJGSBSJZWHSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098987
Brc1cc(C(c2n3CCCc3nn2)C(=O)OCC)ccc1	PC-id_79482661	350.21	SKIWWFAIFQLZEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098988
Brc1ccc(C(c2n3CCCc3nn2)C(=O)OCC)cc1	PC-id_79482669	350.21	VPTFMMOKLSPAID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098989
Brc1ccc(OCCNC(=O)c2n[nH]c3CCCc23)cc1	MCULE-5323350708,EMOLS-id_323259317	350.21	XHJAXCHNBVBQBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098990
c12CN(Cc1nn(CC)c2Br)C(=O)OCc1ccccc1	MCULE-4680333367,EMOLS-id_324340078	350.21	SGRYYWJDPJRQIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098991
Clc1sc2CCC(Nc3cc(Cl)c(OC(F)F)cc3)c2c1	PC-id_81235083	350.211	AWFAHSFBMDIWMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-098992
Brc1ccc(c(c1)N)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_302648817,PC-id_79704510,MCULE-6046805664	350.214	OHKCAEKPFFLXRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098993
Brc1c(cc(NC(=O)NCc2n3CCCc3nn2)cc1)C	PC-id_60446440	350.214	PQUGXFUIKMEKQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098994
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1N	PC-id_64320260	350.214	AKRAJLRYEMZQPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098996
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1N	PC-id_64321868	350.214	HLWXYNRYGIZGSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098997
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)cc(N)c1	PC-id_81533909	350.214	QPMSGXCUOZNIAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098998
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)cc(N)c1	PC-id_81556593	350.214	JOWXAXIQEAFCDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-098999
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)c(N)cc1	PC-id_81659469	350.214	PRCQRLBIRFNBJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099000
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)c(N)cc1	PC-id_81660469	350.214	JDCCLIFMSHRFRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099001
Brc1cc(N)c(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_79704776	350.214	BEUPHDDPXJINNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099002
Brc1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(N)cc1	PC-id_61942196	350.214	OMLFFMXYUMEDKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099003
Brc1c(N)cc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_61108028	350.214	ATDORNVRZVOTAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099004
Cc1ccc(Br)cc1NC(=O)NCc1nnc2n1CCC2	PC-id_52216065,ZINC22_45386913,EMOLS-id_42952740,MCULE-4226373017	350.214	AJBKMXJXIWDMKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099005
Cc1ccc(NC(=O)NCc2nnc3n2CCC3)c(Br)c1	ZINC22_43328391,EMOLS-id_36633596,PC-id_52189353,MCULE-4018310033	350.214	LUESLMIFWCTXDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099006
Cc1nc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc23)ccc1Br	ZINC22_333297853	350.214	BUGTUGQAHADEGX-GZMMTYOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099007
Cc1nc(NC(=O)N[C@H]2C[C@@H](C)n3ccnc23)ccc1Br	ZINC22_333297854	350.214	BUGTUGQAHADEGX-KCJUWKMLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099008
Cc1nc(NC(=O)N[C@H]2C[C@H](C)n3ccnc23)ccc1Br	ZINC22_333297856	350.214	BUGTUGQAHADEGX-KWQFWETISA-N	00000010100000101001000010000000000000000000000000000000	25-01-099009
Cc1nc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc23)ccc1Br	ZINC22_333297858	350.214	BUGTUGQAHADEGX-LDYMZIIASA-N	00000010100000101001000010000000000000000000000000000000	25-01-099010
CN(C(=O)c1cccc(c1Br)N)Cc1nnc2n1CCC2	PC-id_104027763	350.214	IHSFUUWIXLQYJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099011
O=C(c1ccc(c(c1)N)Br)NC(c1nnc2n1CCC2)C	PC-id_107812872	350.214	HELWYHJMCGTGSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099012
O=C(NC1CC(n2c1ncc2)C)Nc1cc(Br)cnc1C	EMOLS-id_101453134	350.214	IIANKJWUXIYCAD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099013
O=C(NC1CC(n2c1ncc2)C)Nc1ccc(c(n1)C)Br	EMOLS-id_101476400,MCULE-9696239399	350.214	BUGTUGQAHADEGX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099014
Clc1cc(/C=c/2c3n(nc2C)c(nn3)CCCC)cc(Cl)c1[O-]	PC-id_54477917	350.222	XMWXVTNIQGSEIT-WDZFZDKYSA-M	00000000100000110001000010000000000000000000000000000000	25-01-099015
Clc1cc(C=c2c3n(nc2C)c(nn3)CCCC)cc(Cl)c1[O-]	PC-id_76141313	350.222	XMWXVTNIQGSEIT-UHFFFAOYSA-M	00000000100000110001000010000000000000000000000000000000	25-01-099016
Brc1cc(n(c1)C)C(=O)Nc1sc2CCCc2c1C#N	PC-id_60698408	350.234	FWQCUAHAERAJLY-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-099017
CCCc1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324844783	350.234	SQNLVDMYXGLCSM-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099018
CC(C)c1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324846825	350.234	PHXDTJDXTBZQLM-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099019
CC(C)c1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324845804	350.234	NWDVUXSQQUTZBV-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099020
CCCc1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324847842	350.234	OXTBHCLOHNQIMT-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099021
n12c(=O)c(=Cc3ccccc3Br)sc1nc(C(C)C)n2	MCULE-2079688584	350.234	NWDVUXSQQUTZBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099022
n12c(=O)c(=Cc3ccc(cc3)Br)sc1nc(C(C)C)n2	MCULE-4939121384	350.234	PHXDTJDXTBZQLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099023
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)CCC	MCULE-2222246953	350.234	SQNLVDMYXGLCSM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099024
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)CCC	MCULE-3879309081	350.234	ATAJLGYKMNRLLV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099025
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCC	MCULE-5193654262	350.234	OXTBHCLOHNQIMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099026
Cc1nn2cc(nc2/c/1=Cc1cc(c(c(c1)Cl)O)Cl)C(C)(C)C	PC-id_136034570	350.242	KMMFHMHNTYSWMI-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099027
Cc1nn2cc(nc2c1=Cc1cc(c(c(c1)Cl)O)Cl)C(C)(C)C	PC-id_136496866	350.242	KMMFHMHNTYSWMI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099028
Clc1cc(S(=O)(=O)Nc2sc3CCCc3n2)cnc1Cl	PC-id_64608030	350.244	UILSHDFABKCECG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099029
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2CN)c1	MCULE-9424264002,EMOLS-id_330995387	350.253	QPWBLTJOWNZWBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099030
COc1ccc(Br)c(Cn2nc(CN)c3C(C)CCc23)c1	EMOLS-id_331017712,MCULE-7405261930	350.253	PKGUCQZYVTYNEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099031
COc1ccc(Cn2nc3CCC(C)c3c2CN)c(Br)c1	EMOLS-id_330995643,MCULE-3890487112	350.254	TXCWRPCKUXVISD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099032
COc1ccc(Cn2nc(CN)c3C(C)CCc23)c(Br)c1	MCULE-3972585818,EMOLS-id_331017968	350.254	LPDRXEUNYDWDMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099033
OCC(c1cccc(c1)Br)N(Cc1cnc2n1CCC2)C	EMOLS-id_318016827	350.254	BYNUWRGWOAILIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099034
Brc1ccc([C@@H](NC(=O)c2sc3CCCc3c2)C)cc1	PC-id_9185507	350.273	ZZUDTLDDMPDAAK-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-099035
Brc1ccc([C@H](NC(=O)c2sc3CCCc3c2)C)cc1	PC-id_9185510	350.273	ZZUDTLDDMPDAAK-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099036
Brc1ccc(C(NC(=O)c2sc3CCCc3c2)C)cc1	PC-id_47097731	350.273	ZZUDTLDDMPDAAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099037
Brc1ccc(CN(C(=O)c2sc3CCCc3c2)C)cc1	PC-id_9159242	350.273	IARWJTVNNOBTDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099038
Brc1cc(c(NC(=O)c2sc3CCCc3c2)c(c1)C)C	PC-id_60794959	350.273	RBRRPQJJXMLVKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099039
Brc1cc(c(NC(=O)c2sc3CCCc3c2)cc1)CC	PC-id_81290212	350.273	OUCIETVJOGJMCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099040
Brc1cc(CN(C(=O)c2sc3CCCc3c2)C)ccc1	PC-id_60738729	350.273	LHMBLDMUHWRVLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099041
Brc1cc(C(NC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_60745903	350.273	VPTOTQKAOBMKQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099042
Brc1cc(C(=O)NCc2sc3CCCc3c2)c(cc1)C	PC-id_65309616	350.273	PASQBFCAYHNJBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099043
Brc1c(c(C(=O)NCc2sc3CCCc3c2)ccc1)C	PC-id_65572376	350.273	UAMBQKOLMPRUDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099044
Brc1cc(C(=O)NCc2sc3CCCc3c2)ccc1C	PC-id_81472396	350.273	ZJCZFMHIMBQIMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099045
Brc1c([C@@H](NC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_9152022	350.273	FZPPXINRZICOKQ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-099046
Brc1c([C@H](NC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_9152023	350.273	FZPPXINRZICOKQ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099047
Brc1c(CN(C(=O)c2sc3CCCc3c2)C)cccc1	PC-id_29213092	350.273	CDUODROKPJBJCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099048
Brc1c(C(NC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_84940018	350.273	FZPPXINRZICOKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099049
Brc1c(C(=O)NCc2sc3CCCc3c2)cc(cc1)C	PC-id_81006821	350.273	DYZIACXZGVTGBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099050
Brc1c(C(=O)NCc2sc3CCCc3c2)ccc(c1)C	PC-id_81788274	350.273	LOHQMOMURKFNGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099051
Brc1c(NC(=O)c2sc3CCCc3c2)c(cc(c1)C)C	PC-id_81524229	350.273	OCBHDJGYGHLSNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099052
BrCc1ccc(cc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_107233717	350.273	SJZNCUOQVKZQQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099053
BrC(c1ccccc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_114308291	350.273	HPIAHMDXVCYSKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099054
BrCc1cccc(c1)CNC(=O)c1sc2c(c1)CCC2	PC-id_114313029	350.273	SFEJVZPICCKJLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099055
BrCc1ccc(cc1)C(=O)NCc1sc2c(c1)CCC2	PC-id_102851434	350.273	IXQIANZPAZESFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099056
BrCCc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_114310222	350.273	ZOXYNCHULFKFSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099057
BrCC(c1ccccc1)NC(=O)c1sc2c(c1)CCC2	PC-id_114311055	350.273	GYDUVTGVDAQRJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099058
Cc1cc(Br)cc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_104852469	350.273	PJUGIQIGZMGWQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099059
O=C(c1cccc(c1Br)C)NCc1sc2c(c1)CCC2	PC-id_103853598	350.273	HFAVXLHPVZSYTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099060
O=C(c1ccc(c(c1)C)Br)NCc1sc2c(c1)CCC2	PC-id_104297287	350.273	VDOMPXHMPSSYEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099061
O=C(c1sc2c(c1)CCC2)Nc1ccccc1C(Br)C	PC-id_114315482	350.273	AVFGZSXNQAOEGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099062
O=C(c1sc2c(c1)CCC2)Nc1cc(C)c(c(c1)C)Br	PC-id_107574967	350.273	KLLKEAGAAPJFQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099063
Brc1ccc(nc1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_104272656	350.277	KVQWOYQMXXVDRV-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-099064
Brc1cc(NCc2sc3c(c2)CCC3)nc(n1)C1CC1	PC-id_106194060	350.277	XOHMMQCGBAOBSK-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-099065
Brc1cncc(c1)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_116064313	350.277	QLJIWWXJIJWDEB-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-099066
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CNC(=O)OCc1ccc(cc1)F	PC-id_90802163	350.302	QKDWVMWHACYBML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099067
Fc1ccc(cc1)COC(=O)N(CC1Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL5544854,PC-id_69481868	350.302	UCFKEVJAHWXWHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099068
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NCC(F)(F)F	PC-id_8358922	350.314	CGXVVCJCIQDQBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099069
Brc1ccc(CC(NCC)c2sc3c(CCC3)c2)cc1	PC-id_63528946	350.316	DSBSFRBSSYUYMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099070
Brc1c(cc(C(NC)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64182450	350.316	FBRSXASFGDZOBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099071
Brc1ccc(C(NCc2sc3c(CCC3)c2)CC)cc1	PC-id_63452626	350.316	YYNVJOATICQDNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099072
Brc1cc(CC(NCC)c2sc3c(CCC3)c2)ccc1	PC-id_63527776	350.316	URWDJIGODGGCSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099073
Brc1ccc(C(NCCC)c2sc3c(CCC3)c2)cc1	PC-id_43494480	350.316	SDMLHLXIRCTLGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099074
Brc1cc(C(NCc2sc3c(CCC3)c2)CC)ccc1	PC-id_63452794	350.316	ZDFOCFXYCHDJQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099075
CC(Cc1ccc(cc1)Br)NCc1sc2c(c1)CCC2	PC-id_105544065	350.316	SOVMKIOULNSNOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099076
CCNC(c1sc2c(c1)CCC2)Cc1ccccc1Br	PC-id_115787508	350.316	DWCNMHJZUJXBSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099077
CCc1c(onc1C(F)(F)F)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101836024	350.317	VCQVDNVHTHFRLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099078
O1C(C(c2c1c(O)[nH]c2O)C(=O)NCC=C)(/C(=N/CC=C)/N)C(=O)O	PC-id_54154835	350.327	OKHKKEDUZQRMOT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099079
COC(=O)c1nn2c(n1)c(c(c2=C(C)C)[N+]#[C-])C(=O)Oc1ccccc1	SCHEMBL12220568,PC-id_59448864	350.328	KTTXQVKOCFQCPZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099080
C/C(=CC(=O)NCc1nnc2n1CCC2)/c1ccc(C(F)(F)F)cc1	ZINC22_96314801,PC-id_97543462	350.338	RZNSDUZHCBSISH-PKNBQFBNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099081
FC(F)(F)c1ccc(C(=CC(=O)NCc2n3CCCc3nn2)C)cc1	EMOLS-id_32143837,PC-id_47088506,MCULE-4529840296	350.338	RZNSDUZHCBSISH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099082
O=C1CC(CN1c1cccc(c1)C(F)(F)F)NC1CCn2c1ncc2	EMOLS-id_318015272,MCULE-3032422661	350.338	QHPVWWJWGMWXDG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099083
O=C1C(CCN1c1ccc(cc1)C(F)(F)F)NC1CCn2c1ncc2	EMOLS-id_318101397,MCULE-3396937041	350.338	NEOOHLNKCHOFHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099084
O=C1C(CCN1c1ccccc1C(F)(F)F)NC1CCn2c1ncc2	MCULE-4577449935,EMOLS-id_318229076	350.338	NTKFSMOROSSPHE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099085
S1CCn2c1nc(NC(=O)C(Oc1cc(F)c(F)cc1)C)c2C#N	PC-id_60324266	350.343	PFBKUQNHRYWUFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099086
Fc1ccc(C(=O)Nc2nn(c3c2CNC3)C(=O)c2ccccc2)cc1	PC-id_71477256	350.346	UEMXDOSPXFSWKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099087
Fc1ccc(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)c2ccccc2)cc1	PC-id_71451358	350.346	WWYUBBRDCPLNQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099088
s1c2c(CCC2)c(c1NC(=O)c1oc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_17146171	350.346	HTQCZIAOLKGMRA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-099089
c1(NC(=O)Cn2ncc(N(=O)=O)c2)sc2c(CCC2)c1C(=O)OC	MCULE-7075770231,EMOLS-id_4028472,CoCoCo_6921448,SPECS-id_AK-968/15253599,PC-id_1012266,ZINC22_673132,TIMTEC602616	350.35	ZSARXPNXOGDPEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099090
c1(N(=O)=O)nn(c(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1)C	TIMTEC147847,EMOLS-id_6832690,MCULE-2286721705,PC-id_5304805,ZINC22_4776214	350.35	FKQAUKRWCSCDJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099091
s1c2c(CCC2)c(c1NC(=O)Cn1nc([N+](=O)[O-])cc1)C(=O)OC	PC-id_17052804	350.35	ZNMIYMMUKDJSDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099092
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cn1nnnc1)C(=O)N	PC-id_24383544	350.353	HOZZNAXMTGVBMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099093
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387473,MCULE-9012315517	350.357	LTHXRPCKXJDVTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099094
N#Cc1c(NC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1CCC2	EMOLS-id_16791626,PC-id_25502260,MCULE-6314248658,ZINC22_12775860,CoCoCo_3268212	350.358	BYJRJUPWZXVTLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099095
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(F)cc(cc2F)OC)n1	EMOLS-id_330994684,MCULE-3632643918	350.36	QKEDTFNSFCSNDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099096
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(F)cc(OC)cc1F	MCULE-8306067275,EMOLS-id_330979511	350.36	WPJGXYGAEHDVQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099097
c12CN(Cc1nn(CC(F)F)c2CNC)C(=O)OCc1ccccc1	EMOLS-id_324352868,MCULE-8975468240	350.363	YEWUQMQJSOQTNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099098
CN(C)CCC(c1ccc(cc1)F)NC(=O)c1nn2CCOc2c1F	PC-id_91960057	350.363	XKCCAEBDXOVVQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099099
CCOC(=O)C1(C=c2c(=C1)ncn2C(=O)OC(C)(C)C)C(=O)OCC	PC-id_23358984,SCHEMBL8903670	350.366	SIMHHHAEGDJOMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099100
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1OC(F)F	PC-id_111020581	350.366	AWXOTILOFVHCFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099101
O(C(C)(C)C)C(=O)c1[nH]c2=CC(C=c2n1)(C(=O)OCC)C(=O)OCC	PC-id_54417890	350.366	VYSIEGFJNCNKOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099102
Fc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1cccnc1)/c2=O	EMOLS-id_206967204,STOCK4S-49595,ZINC22_5180543	350.37	BEAATZVUGGEPEA-VQGCXIRGSA-N	00000000100000111001000010000000000000000000000000000000	25-01-099103
Fc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1ccncc1)/c2=O	STOCK4S-70349,ZINC22_5164953,EMOLS-id_206981126	350.37	HEZJGRIOETYRGX-MUFNADTASA-N	00000000100000111001000010000000000000000000000000000000	25-01-099104
n12nc(nc1sc(=Cc1cccnc1)c2=O)C=Cc1ccc(cc1)F	EMOLS-id_26342520,MCULE-4299713696	350.37	BEAATZVUGGEPEA-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-099105
n12nc(nc1sc(=Cc1ccncc1)c2=O)C=Cc1ccc(cc1)F	MCULE-5462320028	350.37	HEZJGRIOETYRGX-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-099106
O=c1/c(=Cc2cccnc2)/sc2nc(/C=C/c3ccc(F)cc3)nn12	ZINC22_33789068	350.37	BEAATZVUGGEPEA-GQPSQLHCSA-N	00000000100000111001000010000000000000000000000000000000	25-01-099107
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccco2)n1	MCULE-3540460753	350.371	ATMOWQPUZZDPSZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099108
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccco2)n1	EMOLS-id_316333872,MCULE-9222542333	350.371	ATMOWQPUZZDPSZ-AWEZNQCLSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099109
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccoc1	MCULE-5689212526	350.371	QAGSCFXAOVFYDH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099110
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccoc1	MCULE-5738779412,EMOLS-id_316321077	350.371	QAGSCFXAOVFYDH-HNNXBMFYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099111
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cc(oc1C)c1ccccc1	PC-id_9946389,SCHEMBL2915412	350.371	WLCWOVOEDJKDHA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-099112
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cc(=O)[nH]c(=O)[nH]1	MCULE-6532175478,EMOLS-id_328223605	350.371	UTVLYKZRPWKTDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099113
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c[nH]c(=O)[nH]c1=O	MCULE-6984080024,EMOLS-id_328223610	350.371	KAOFSTNGNSUHEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099114
O=C(Nc1ccc(NC(=O)c2cc(oc2)C)cc1)c1n[nH]c2CCCc12	PC-id_50979883	350.371	AFJDBYLFUMCXKG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099115
c12CN(Cc1cnn2CCO)C(=O)c1cnc(nc1)Nc1ccccc1	PC-id_72934194,EMOLS-id_46095089,ZINC22_92038796,MCULE-7286559301	350.375	OLJFOQAMOJFQME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099116
Cc1cc(=O)c(C(=O)NCc2nnc3n2CCC3)nn1c1ccccc1	MCULE-7042880327,PC-id_45864942,CoCoCo_4560525,ZINC22_40037556,EMOLS-id_29989986	350.375	IPVWYJHXBRCKPZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099117
COc1ccnc(c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)n1	MCULE-7781414613,PC-id_119074874,EMOLS-id_82743551,ZINC22_426737546	350.375	TVEHTAAKZAKMOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099118
COc1nccnc1c1cccc(c1)C(=O)NCc1nnc2CCCn12	ZINC22_299755440,EMOLS-id_68888821,PC-id_118769588,MCULE-3066229588	350.375	CYRRSCBPXSQPGN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099119
O=C(CCc1cncnc1)N1Cc2[nH]nc(COc3cccnc3)c2C1	ZINC22_1565546413,EMOLS-id_313726929	350.375	ARFYKKZSGFAEBF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099120
n12N=C(C(C)(C)C)C(=NNC3=NC(=C=N)C(=N3)C#N)c1nnc2C(C)C	PC-id_59703007	350.381	MZQRNUWVGSGSEU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099121
s1c2CCCc2cc1C(=O)NC(c1cc(F)c(F)cc1)C(=O)NC	PC-id_78841462	350.383	FMPDFYDQJMAJGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099122
s1c2CCCc2cc1C(=O)NN=C(c1c(OC(F)F)cccc1)C	PC-id_85015584	350.383	OHNWLFOICHKJPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099123
s1c2CCCc2cc1C(=O)N/N=C(c1c(OC(F)F)cccc1)/C	PC-id_9462665	350.383	OHNWLFOICHKJPT-JMIUGGIZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099124
OCC(CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_279072156	350.385	UEQAYJYFWAPXRG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099125
c1(C(F)F)c2CCCc2n(CC(=O)Nc2sc(C)c(C)c2C#N)n1	PC-id_19591238,MCULE-3980284599,ZINC22_36614212,EMOLS-id_8868018,TIMTEC405027	350.386	QLNGAQQNAXMUCS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-099126
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1cc(ccc1)F	PC-id_90789959	350.389	YJPWUACJFYGBBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099127
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1ccccc1F	PC-id_91145014	350.389	XQJYLIDCMUTKKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099128
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1ccc(cc1)F	PC-id_91179109	350.389	QVUJONNVEHKUBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099129
Fc1cccc(c1)CC(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2921497,PC-id_68441604	350.389	HJLIMDZGFBVGPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099130
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68440651,SCHEMBL2918550	350.389	KQAITIYBCXANCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099131
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2913500,PC-id_68438774	350.389	NMGINJAGPGTJGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099132
Fc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2922855,PC-id_68442174	350.389	YMSKLLSFDYQDIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099133
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2913501,PC-id_68438775	350.389	HQQQKQLPPKWLTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099134
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2918552,PC-id_68440653	350.389	QTKOLOBEYFQQHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099135
Fc1ccc(CC(=O)Nc2n[nH]c3CN(Cc23)Cc2ccccc2)cc1	PC-id_68440584,SCHEMBL2918307	350.389	SQLALHKILDJKTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099136
Fc1c(CC(=O)Nc2n[nH]c3CN(Cc23)Cc2ccccc2)cccc1	SCHEMBL2915490,PC-id_68439632	350.389	DHDWAJJGTIFYBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099137
Fc1c(C(=O)Nc2n[nH]c3CN(Cc23)CCc2ccccc2)cccc1	PC-id_68442175,SCHEMBL2922858	350.389	AOWARDCCYWXGIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099138
C[C@@H]1[C@@H]2[C@@H]([C@@H](C)O)C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)[O-]	PD012696,TT-id_D0E7QN,MCULE-5925161472,CHEMBL285347,SD000310,CHEBI:3089,DC-id_365,MCULE-5207735190,KG-id_D01057,PC-id_71339,SCHEMBL49242,EMOLS-id_30513151,DB13028	350.39	MRMBZHPJVKCOMA-YJFSRANCSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099139
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCC3)NC(=O)NC1	ZINC22_12979800,PC-id_17499148,EMOLS-id_16675528,MCULE-3227929456,CoCoCo_4345302	350.39	MTEWYFHMGAYAEL-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-099140
COc1ccc(cc1)S(=O)(=O)CCC(=Nc1onc2c1CCC2)O	Chemmine_45373,PC-id_16942404,CoCoCo_5123865	350.39	KPUFSLRCSPOBJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099141
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)S(=O)(=O)C)C	PC-id_70411456,SCHEMBL10645331	350.39	NCEZJOJQPIJYBP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-099142
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)OCC	PC-id_7819431	350.39	BOVYQTDETIUZNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099143
c12CN(Cc1n(nc2)CCO)CCC(=O)Nc1ccsc1C(=O)O	EMOLS-id_55638308,PC-id_91833601,MCULE-2057801606,ZINC22_244626536	350.393	FNNQTTLVYFSKGT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-099144
c1(NC(=O)c2ccco2)c2CSCc2nn1CC(=O)NCCOC	MCULE-5885667866,ZINC22_23138928,CoCoCo_5277561,PC-id_30862250,EMOLS-id_24913255	350.393	JNCZZXUWYSKVEE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-099145
c1(NC(=O)COC)c2CSCc2nn1CC(=O)NCc1ccco1	MCULE-9452975647,ZINC22_23139284,CoCoCo_5277688,PC-id_30862566,EMOLS-id_24913405	350.393	ONMLDNUSAICXKA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-099146
CC1C2C(C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)[O-])C(C)O	PD068379,D0E7QN,MCULE-8083767907,PC-id_90661956,EMOLS-id_300831243,HMDB0249178	350.393	MRMBZHPJVKCOMA-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099147
Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)Cc1nnc2n1CCC2	EMOLS-id_33340491,PC-id_45336155,ZINC22_13252447,MCULE-7555539797	350.393	GPYSHXGSWXFMQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099148
Cc1cc(C(=O)O)cc(S(=O)(=O)NCc2nnc3n2CCC3)c1C	ZINC22_13252551,MCULE-9578727622,PC-id_45336206,EMOLS-id_36626419	350.393	AXINKHGZIFYIPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099149
CC1[C@@H]2C(C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)[O-])C(C)O	PC-id_137795492	350.393	MRMBZHPJVKCOMA-IJVGGVBKSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099150
CC([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)SC1Cn2c(C1)nnc2)O	PC-id_22867984,SCHEMBL9083714	350.393	VZRQBDTVCTUOOK-VWNYTIBYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099151
CC([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O	PC-id_45357475,SCHEMBL15272406,EMOLS-id_317448994	350.393	MRMBZHPJVKCOMA-WAOAVRLKSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099152
C[C@H]([C@H]1C(=O)N2[C@@H]1C(C)C(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O	PC-id_122172878	350.393	MRMBZHPJVKCOMA-QGPDOHACSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099153
C[C@H](O)[C@H]1[C@@H]2[C@@H](C)C(=C(N2C1=O)C(=O)[O-])S[C@H]1Cn2cnc[n+]2C1	LI_15828	350.393	MRMBZHPJVKCOMA-IFFSRLJSSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099154
CC(O)[C@H]1C(=O)N2C(=C(SC3Cn4ncc[n+]4C3)[C@H](C)[C@H]12)C(=O)[O-]	CHEMBL3348848,PC-id_46930984	350.393	RLAPFAKXSAUMLW-LRPJUKONSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099155
CC(=O)NCC(=O)N1Cc2nc(COCc3csc(C)n3)oc2C1	ZINC22_96086741,PC-id_97406057,EMOLS-id_46183501	350.393	PRWWZYITCMOBDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099156
COc1ccc(cc1NC(=O)C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316617275	350.393	YMRNLLYHKKLCQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099157
COc1ccc(cc1S(=O)(=O)N1Cc2c(C1)cnn2C)NC(=O)C	EMOLS-id_316640819	350.393	YSRYQOFPRWCZKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099158
COCCNC(=O)C(=O)NCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_12815273,MCULE-3541648712,CoCoCo_4674865,PC-id_25532021,EMOLS-id_16775676	350.393	DOWASGVKIKZHRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099159
COCCNS(=O)(=O)c1cccc(c1)C(=O)N1CCn2c1ncc2	EMOLS-id_279043948	350.393	FOUNROSRLBNODR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099160
COCCNS(=O)(=O)c1ccc(cc1)C(=O)N1CCn2c1ncc2	MCULE-7064985866,EMOLS-id_320208488	350.393	YVGLEZYXYNRVMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099161
COC(=O)c1cccc(c1)S(=O)(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4607851,PC-id_45866215	350.393	PVUUAUZTEVINIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099162
O=C(N1CCn2c1ncc2)Nc1cccc(c1)OCCS(=O)(=O)C	EMOLS-id_319298332	350.393	JULNDPKTABWCMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099163
OC(=O)C(Cc1ccccn1)CNS(=O)(=O)c1cnc2n1CCC2	PC-id_146128016	350.393	XURVOLBZHBCLOC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099164
O=C(O)[C@@H](CNS(=O)(=O)c1cnc2n1CCC2)Cc1ccccn1	ZINC22_564843508	350.393	XURVOLBZHBCLOC-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099165
O=C(O)[C@H](CNS(=O)(=O)c1cnc2n1CCC2)Cc1ccccn1	ZINC22_564843509	350.393	XURVOLBZHBCLOC-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-099166
S1Cc2c(nn(c2NC(=O)OCC)CC(=O)NCc2occc2)C1	PC-id_44053333	350.393	QZFJJFUVCFMUCX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-099167
S(C1=C(N2C(C(C2=O)[C@H](O)C)[C@H]1C)C(=O)[O-])C1C[n+]2n(C1)cnc2	PC-id_9798489	350.393	MRMBZHPJVKCOMA-YJTAMFCSSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099168
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1Cn2c(nnc2)C1	PC-id_23366067	350.393	VZRQBDTVCTUOOK-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099169
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)[O-])C1C[n+]2n(ncc2)C1	PC-id_75241546	350.393	RLAPFAKXSAUMLW-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099170
S(C1=C(N2C([C@H](C2=O)[C@H](O)C)[C@@H]1C)C(=O)[O-])C1C[n+]2n(C1)cnc2	PC-id_16760205	350.393	MRMBZHPJVKCOMA-MTKZOQNTSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099171
S(C1=C(N2[C@@H]([C@H](C2=O)[C@@H](O)C)[C@H]1C)C(=O)[O-])C1C[n+]2n(C1)cnc2	PC-id_29922415	350.393	MRMBZHPJVKCOMA-JZSSXWJLSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099172
S(C1=C(N2[C@@H]([C@H](C2=O)C(O)C)C1C)C(=O)[O-])[C@H]1C[n+]2n(C1)cnc2	PC-id_42646739	350.393	MRMBZHPJVKCOMA-PKRIEVTBSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099173
S(C1=C(N2[C@@H]([C@@H](C2=O)C(O)C)[C@H]1C)C(=O)[O-])C1C[n+]2n(C1)cnc2	PC-id_56971644	350.393	MRMBZHPJVKCOMA-WCAPDBQVSA-N	00001011100000000001001010000000000000000000000000000000	25-01-099174
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(cc1)C(=O)OC	PC-id_16621893	350.393	HIPPKJGRAFCGQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099175
NC(=O)Cc1sc2c(c1)/C(=C/c1cn[nH]c1c1ccccc1)/C(=O)N2	PC-id_139979581	350.394	AUJDPOKHEDYMEQ-MLPAPPSSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099176
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCc1ccncc1	PC-id_59043166	350.394	BUFQTCKQMLWXJV-UHFFFAOYSA-N	00000010110000101000000010000000000000000000000000000000	25-01-099177
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCc1ncccc1	PC-id_22976051	350.394	BJMUTNNSPOSAKO-UHFFFAOYSA-N	00000010110000101000000010000000000000000000000000000000	25-01-099178
Cn1ncc(c1)N1CCN(CC1=O)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231189	350.396	IFOIXHUERXCERB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099179
COCCNC(=O)c1cnc2CCC(CNC(=O)c3csnn3)n12	EMOLS-id_313765568	350.396	GLPIXNKCFPPOHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099180
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1csnn1)CC2	ZINC22_1565553002	350.396	GLPIXNKCFPPOHH-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099181
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1csnn1)CC2	ZINC22_1614937106	350.396	GLPIXNKCFPPOHH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-099182
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)S(=O)(=O)c1n[nH]cc1	EMOLS-id_111771408	350.396	LSHUVRJMIKTGLV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099183
O=C(N1Cc2c(C1)cnn2C)COc1nsnc1N1CCOCC1	EMOLS-id_319445727	350.396	YOYPVHBNKCTHQV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099184
O=C(NC1CCn2c1ncc2)COc1nsnc1N1CCOCC1	EMOLS-id_316627932	350.396	LWPQBJQGCUHXAM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099185
c1(NC(=O)Cn2nnc(c3ccccc3)n2)sc2c(CCC2)c1C#N	EMOLS-id_8852217,CoCoCo_6582571,MCULE-1488152645,ZINC22_2788358,PC-id_4775126	350.398	VLEQJEUTHFLIMX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099186
N#Cc1c(NC(=O)c2ccc(SC(F)F)cc2)sc2c1CCC2	EMOLS-id_13565890,ZINC22_10390889,MCULE-5381403376,PC-id_22108635,CoCoCo_4577974	350.406	KSDYBKBOSVZMQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099187
O(C1C(c2c(oc(c2)CCCCC(=O)OC)C1)C=O)C1OCCCC1	PC-id_13216468	350.406	BGWCCTQVCOLSRG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099188
O=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC	SCHEMBL10993513,PC-id_53681393	350.406	BGWCCTQVCOLSRG-BCYRDIKASA-N	00000010100010000000000010000000000000000000000000000000	25-01-099189
s1c2CCCc2c(c1NC(=O)CSc1cc(F)c(F)cc1)C#N	PC-id_8233270	350.406	XUHWYRFTISDLIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099190
s1c2CCCc2c(c1NC(=O)CSc1c(F)ccc(F)c1)C#N	PC-id_8199587	350.406	PLZWNAFPUDWGND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099191
s1c2CCCc2c(c1NC(=O)CSc1c(F)cc(F)cc1)C#N	PC-id_9046245	350.406	AMUVKHBHNVAJEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099192
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)CCCCCNC(=O)C)C	PC-id_10360517	350.409	RIBDOZVFRZTTOA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099193
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OC	PC-id_74682684	350.409	MUTNGMJUXMTKSV-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-099194
s1c2c(CCC2)c(c1NC(=O)CC1(CCCC1)C(=O)[O-])C(=O)OC	PC-id_51519739	350.409	XRFVLPVMYLUATK-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-099195
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_40435107	350.409	MUTNGMJUXMTKSV-VHSXEESVSA-M	00000010100010000000000010000000000000000000000000000000	25-01-099196
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_40435109	350.409	MUTNGMJUXMTKSV-NXEZZACHSA-M	00000010100010000000000010000000000000000000000000000000	25-01-099197
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_40435111	350.409	MUTNGMJUXMTKSV-UWVGGRQHSA-M	00000010100010000000000010000000000000000000000000000000	25-01-099198
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_40435113	350.409	MUTNGMJUXMTKSV-ZJUUUORDSA-M	00000010100010000000000010000000000000000000000000000000	25-01-099199
Fc1cccc(c1)C1CNCCN1S(=O)(=O)c1cnc2n1CCC2	PC-id_120876742,MCULE-1737151164,EMOLS-id_302861713	350.411	VROKSZZKQCIBHT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099200
Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173887	350.411	NYCBIPIVMJZCFH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099201
Fc1ccccc1N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100194732	350.411	DJQPNMMMYVEYFP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099202
Fc1cccc(c1NS(=O)(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_100477443	350.411	KNNHUDCOGCHLMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099203
N[C@@H]1CN(C[C@H]1c1ccccc1F)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102049249	350.411	CHLBFEVYSVUIFQ-GXTWGEPZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099204
O(C1C(n2c(C1OCc1ccccc1)cnc2)CO)Cc1ccccc1	PC-id_85274637	350.411	OHEDYLRCERZBFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099205
O([C@@H]1[C@H](n2c([C@H]1OCc1ccccc1)cnc2)CO)Cc1ccccc1	PC-id_10807776	350.411	OHEDYLRCERZBFQ-NJDAHSKKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099206
O([C@H]1[C@@H](n2c([C@@H]1OCc1ccccc1)cnc2)CO)Cc1ccccc1	PC-id_10882641	350.411	OHEDYLRCERZBFQ-ACRUOGEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099207
O([C@@H]1[C@@H](n2c([C@@H]1OCc1ccccc1)cnc2)CO)Cc1ccccc1	PC-id_10882642	350.411	OHEDYLRCERZBFQ-PCCBWWKXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099208
O([C@@H]1[C@H](n2c([C@@H]1OCc1ccccc1)cnc2)CO)Cc1ccccc1	PC-id_11068099	350.411	OHEDYLRCERZBFQ-QHAWAJNXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099209
O([C@H]1[C@H](n2c([C@H]1OCc1ccccc1)cnc2)CO)Cc1ccccc1	PC-id_11110899	350.411	OHEDYLRCERZBFQ-NJYVYQBISA-N	00000010100000110001000010000000000000000000000000000000	25-01-099210
O([C@H]1[C@H](n2c([C@@H]1OCc1ccccc1)cnc2)CO)Cc1ccccc1	PC-id_11142662	350.411	OHEDYLRCERZBFQ-HKBOAZHASA-N	00000010100000110001000010000000000000000000000000000000	25-01-099211
c1(NC(=S)NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)OC	CoCoCo_939510,EMOLS-id_2217600,PC-id_1863204,MCULE-1971786362,STOCK3S-68270,ZINC22_2231545	350.413	ICDJBWUYBDJZEX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-099212
Cc1c2n(CCO2)nc1C(=O)N1CCC(CC1)NC(=O)OC(C)(C)C	PC-id_91959992	350.413	MPEDKMDWLYODRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099213
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)SC1C[n+]2n(C1)ccc2)O	SCHEMBL14769581,PC-id_10593934	350.413	VXFQKXUKMIIKJZ-CNVPUSNMSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099214
CC(=O)Oc1ccccc1C(=O)Nc1nc2c(s1)S(=O)C(C2)C	PC-id_56971367,SCHEMBL6392886	350.413	QABIERULHQPQPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099215
CNC(=O)CC1(COCCN(C1)C(=O)c1nn(C)c2CCCc12)OC	EMOLS-id_171934059,LAS-52391522,MCULE-3749243932	350.413	WNZPNFRVQPUBJC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-099216
CNC(=O)CC1(COC)CN(CCO1)C(=O)c1nn(C)c2CCCc12	EMOLS-id_171930084,MCULE-1821756219,LAS-52328986	350.413	PDULDMLBXRESHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099217
CNC(=O)C[C@@]1(COC)CN(C(=O)c2nn(C)c3c2CCC3)CCO1	ZINC22_585278562	350.413	PDULDMLBXRESHL-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099218
CNC(=O)C[C@]1(COC)CN(C(=O)c2nn(C)c3c2CCC3)CCO1	ZINC22_585278564	350.413	PDULDMLBXRESHL-QGZVFWFLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099219
CNC(=O)C[C@@]1(OC)COCCN(C(=O)c2nn(C)c3c2CCC3)C1	ZINC22_585281347	350.413	WNZPNFRVQPUBJC-KRWDZBQOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-099220
CNC(=O)C[C@]1(OC)COCCN(C(=O)c2nn(C)c3c2CCC3)C1	ZINC22_585281348	350.413	WNZPNFRVQPUBJC-QGZVFWFLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-099221
COCCNC(=O)c1cnc2CCC(CNC(=O)CC3(O)CCC3)n12	EMOLS-id_313765312	350.413	JOHCGKRDPOBXKG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-099222
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CC1(O)CCC1)CC2	ZINC22_1565550903	350.413	JOHCGKRDPOBXKG-GFCCVEGCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-099223
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CC1(O)CCC1)CC2	ZINC22_1614929069	350.413	JOHCGKRDPOBXKG-LBPRGKRZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-099224
CS(=O)(=O)Cc1ccc(o1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1467583910,EMOLS-id_322860521	350.413	RKAPBEMYBSNYDP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-099225
NC(=O)c1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCC2	EMOLS-id_3642860,MCULE-8629497952,PC-id_5026600,ZINC22_5308298,CoCoCo_2840792	350.413	KSVBFVOQUDMVHG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-099226
O=Cc1cccc(OCCCNC2=NS(=O)(=O)c3cscc23)c1	PC-id_135898805,CHEMBL290532	350.413	JCXRZCYUGQGBES-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-099227
O=C(N1CCCC(C1)(O)CC(=O)N1CCn2c1ccn2)OC(C)(C)C	EMOLS-id_278805598	350.413	RMPIFWQBLOAJED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099228
s1c2CCCc2cc1C(=O)OCC(=O)NNC(=O)c1sccc1	PC-id_3952284	350.413	QOEIWWMHWGMNEY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-099229
s1c2c(CCC2)c(c1N=Cc1sc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_23910115	350.413	GRVDLQDRNUEALY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-099230
s1c2c(CCC2)c(c1NC(=O)c1sccc1)C(=O)NC(=O)OC	PC-id_7521439	350.413	ULWKDDTYARSBPF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-099231
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sccc1)C(=O)N	PC-id_3986680	350.413	OPSIRIGVSMZKFJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-099232
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1C[n+]2n(C1)ccc2	PC-id_85198286	350.413	VXFQKXUKMIIKJZ-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099233
C12(CCCN(C1)C(=O)c1c3CCCc3[nH]n1)c1ccccc1N(C)C2=O	EMOLS-id_68931257,MCULE-4407491668,PC-id_118790571	350.414	YRKWCIGANGUFIR-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-099234
c12CN(Cc1n(nc2)CCO)Cc1ccc(cc1)OCc1ccccn1	ZINC22_215555265,MCULE-7541394880,PC-id_77086041,EMOLS-id_49879488	350.414	UPINXRRZEAUZGL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-099235
c1(C(=O)NCc2c3CCCc3[nH]n2)onc(CC(C)c2ccccc2)c1	EMOLS-id_68874552,MCULE-2345677849,PC-id_118754729	350.414	XJMLNWJSNRCGFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099236
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)C1CC=CC1	MCULE-3729375820	350.414	AEDLJBHODBBDNF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-099237
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)C1CC=CC1	MCULE-1216794683,EMOLS-id_316254199	350.414	AEDLJBHODBBDNF-INIZCTEOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-099238
Cc1nnc2CC(CNC(=O)CC3=C(CCC3=O)c3ccccc3)Cn12	EMOLS-id_317910969,MCULE-4353585592	350.414	OJTRXZVGWPBYQP-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-099239
Cc1nnc2n1C[C@H](CNC(=O)CC1=C(c3ccccc3)CCC1=O)C2	ZINC22_1772813682	350.414	OJTRXZVGWPBYQP-AWEZNQCLSA-N	00000011100000110001100010000000000000000000000000000000	25-01-099240
Cc1nnc2n1C[C@@H](CNC(=O)CC1=C(c3ccccc3)CCC1=O)C2	ZINC22_1772813683	350.414	OJTRXZVGWPBYQP-CQSZACIVSA-N	00000011100000110001100010000000000000000000000000000000	25-01-099241
Cc1oc(c2ccccc2)nc1CC(=O)N(C)Cc1n[nH]c2c1CCC2	EMOLS-id_55649075,PC-id_91776322,ZINC22_220114549,MCULE-5528590478	350.414	KNVBSSFCMATMLJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099242
C[C@H](Cc1cc(C(=O)NCc2n[nH]c3c2CCC3)on1)c1ccccc1	ZINC22_299764168	350.414	XJMLNWJSNRCGFO-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099243
C[C@@H](Cc1cc(C(=O)NCc2n[nH]c3c2CCC3)on1)c1ccccc1	ZINC22_299764169	350.414	XJMLNWJSNRCGFO-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099244
CN1CCC(=NC1=O)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9377212134,EMOLS-id_328221307	350.414	QXLUCKMQPCYYGG-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-099245
n12CCCc1nnc2CNC(=O)CC(Cc1ccccc1)c1ccco1	EMOLS-id_232840197,MCULE-1546999804	350.414	CXVALBDZBWBXEC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099246
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CC1)OC(C)C	PC-id_118479175,SCHEMBL17214021	350.414	DGKHMEBERVAVHO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-099247
O=C(C[C@H](Cc1ccccc1)c1ccco1)NCc1nnc2n1CCC2	ZINC22_827802369	350.414	CXVALBDZBWBXEC-INIZCTEOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099248
O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1nnc2n1CCC2	ZINC22_827802371	350.414	CXVALBDZBWBXEC-MRXNPFEDSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099249
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1cccnc1	PC-id_92109522	350.414	KXOYYYZQJGCMJE-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-099250
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Nc1ccccc1	PC-id_92109564	350.414	PEZXBOXGOOGWPP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099251
CCC(CC)c1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324857057	350.416	RODWQCLFPHJCOC-YFHOEESVSA-N	00000000100100000001000010000000000000000000000000000000	25-01-099252
n12c(=O)c(=Cc3ccc(N(=O)=O)s3)sc1nc(C(CC)CC)n2	MCULE-8033655150	350.416	RODWQCLFPHJCOC-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-099253
O(C(=O)N1CCN(CC1)C(=O)NCc1n2CCCc2nn1)C(C)(C)C	PC-id_52551366	350.416	YVRKETPEJOYWNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099254
s1c2c(CCC2)c(c1NC(=O)CSc1[nH]c(=O)ccn1)C(=O)N	PC-id_4163322	350.416	GMQSUARREQDJRU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-099255
Cc1cc(C)n(Cc2ccc(cc2)C(=O)NCc2nnc3CCCn23)n1	MCULE-3056811583,ZINC22_61373644,EMOLS-id_232856869	350.418	ZBBXMFZUJHHJBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099256
Cc1nn(c2ccccc2)c(C)c1CC(=O)NCc1nnc2n1CCC2	MCULE-9233534808,EMOLS-id_43059152,PC-id_56882555,ZINC22_42663611	350.418	RNBRZRCKPAUQQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099257
CCc1cccc(NC(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)c1	ZINC22_96084495,EMOLS-id_46181997,PC-id_97405321	350.418	QPJWGQNWAKQRTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099258
CCc1c(C(=O)NCc2nnc3n2CCC3)cnn1c1ccc(C)cc1	PC-id_31821542,EMOLS-id_30010006,CoCoCo_4775915,ZINC22_24444602,MCULE-2275777787	350.418	HNLBDWLMHSMQTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099259
C[C@@H](c1cccc(c1)NC(=O)c1n[nH]c2c1CCC2)Cc1nncn1C	SCHEMBL21212171,PC-id_139360665	350.418	VFKGEYIDJJMNIG-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099260
N#Cc1ccccc1N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101414200	350.418	DYOGENUSGZDRTG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099261
O=C(c1[nH]nc2c1CCC2C)Nc1cccc(c1)CCc1nncn1C	PC-id_139360350,SCHEMBL21211844	350.418	XTIZUZHOJFFGGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099262
CN(C)c1ccc(S(=O)(=O)Nc2nc3n(c2C#N)CCS3)cn1	EMOLS-id_99664919,MCULE-4644615573,ZINC22_329633572	350.419	WRYYEYMYKQPKIS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099263
N#Cc1c(NC(=O)CSc2nnc(n2N)NN)sc2c1CCC2	PC-id_17344887,GD-id_ZINC21035969	350.423	JGMMFVHYKDKDEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099264
c12SCCn1cc(CNC1CCN(CC1)c1ccc(c(F)c1)F)n2	ZINC22_952980260,EMOLS-id_290031869,MCULE-8345827783	350.429	VPGMIOSTCGFUIZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099265
c1(NC(=S)Nc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OC	Chemmine_18625,CoCoCo_995704,ZINC22_1120361,EMOLS-id_2317825,TIMTEC380783,MCULE-2792269755,PC-id_1297162	350.431	PKLOONNEQRNOMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099266
c1(NC(=S)Nc2ccccc2F)sc2c(CCC2)c1C(=O)OC	TIMTEC435526,MCULE-8050773894,EMOLS-id_4028802,CoCoCo_6013921,ZINC22_6626616,PC-id_3300693	350.431	RTSRNUGWDMLHIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099267
c1(NC(=S)Nc2cccc(F)c2)sc2c(CCC2)c1C(=O)OC	TIMTEC567458,PC-id_4476169,ZINC22_6453090,EMOLS-id_4028804,MCULE-7283358835,CoCoCo_6800620	350.431	YETOGAKFINVIQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099268
NC(=O)c1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCC2	PC-id_7284367,CoCoCo_2832085,ZINC22_4564091,MCULE-3350706168,EMOLS-id_11861324	350.431	HPKVNRQXUXRMNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099269
s1c2CCCc2cc1C(=O)OCc1c(Oc2ccccc2)cccc1	PC-id_7238696	350.431	WXMUYNLNPXQKPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099270
s1c2c(CCC2)c(c1NC(=O)CSc1c(F)cccc1)C(=O)N	PC-id_2591567	350.431	HAFKINBZYCQJPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099271
c1(c2CCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)NC1CC1	TIMTEC225608,PC-id_17377128,EMOLS-id_4028816,MCULE-4009724556	350.433	ITLXCYKHGQFXJE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099272
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)NC1CCCC1	EMOLS-id_2545568,CoCoCo_1046050,ZINC22_6725745,PC-id_6466431,MCULE-5916572502,TIMTEC403988	350.433	QKIZWYUYPMSZND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099273
c1(NC(=O)CC2(CCCC2)CC(=O)O)sc2c(CCC2)c1C(=O)N	EMOLS-id_4028822,PC-id_17349307,MCULE-8544232223,ZINC22_17072722,TIMTEC109849,CoCoCo_6831280	350.433	CUFRXFKWDPVDPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099274
Cc1cn2C(=CC(=O)C3CNCCO3)CSc2c1C(=O)OC(C)C	SCHEMBL9037931,PC-id_88403557	350.433	LASHAWORZTVRBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099275
Cc1cn2C(=CC(=O)N3CCOCC3)CSc2c1C(=O)OC(C)C	PC-id_88403556,SCHEMBL9037927	350.433	ZLLFSZAAQULWQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099276
C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2	PC-id_27518965,CoCoCo_6826040,ZINC22_17072714	350.433	ITLXCYKHGQFXJE-SECBINFHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099277
C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2	ZINC22_17072715,PC-id_27518967,CoCoCo_6826039	350.433	ITLXCYKHGQFXJE-VIFPVBQESA-N	00100010100000000000000010000000000000000000000000000000	25-01-099278
CC(OC(=O)c1c(C)cn2c1SC/C/2=CC(=O)C1CNCCO1)C	SCHEMBL9037917,PC-id_19903318	350.433	LASHAWORZTVRBL-WUXMJOGZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099279
CCOC(=O)c1c(NC(=O)CCC2CCC(=O)N2)sc2CCCc12	MCULE-2955827849,EMOLS-id_328199327	350.433	UFKKJYZVWXIASK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099280
NC(=O)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	PC-id_16358542,ZINC22_9531916,CoCoCo_2889311,MCULE-6088271733,EMOLS-id_43413906	350.433	GNMDKMSCUBRWHW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099281
O=C(COC(=O)c1cc2c(s1)CCC2)NC(=O)NC1CCCCC1	PC-id_7291863,EMOLS-id_3586254,ZINC22_4581436,MCULE-3775131004,CoCoCo_2840810	350.433	IDNBDEAPWCGNOT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099282
O=C(N1CCCC(C1)C(=O)O)CN(C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_53698779,MCULE-3135567336,PC-id_120233762	350.433	NJTVVLQHZPOSQY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099283
O=C(N1CCC(CC1)C(=O)O)CN(C(=O)c1sc2c(c1)CCC2)C	MCULE-5228211678,PC-id_119235744,EMOLS-id_52232631	350.433	COOCPRXXJCLUOL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099284
s1c2CCCc2cc1C(=O)OC(C(=O)NC(=O)NC1CCCC1)C	PC-id_78674921	350.433	NVTPCVLBLJAWPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099285
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NC(=O)NC1CCCC1)C	PC-id_8359568	350.433	NVTPCVLBLJAWPY-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-099286
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NC(=O)NC1CCCC1)C	PC-id_8359580	350.433	NVTPCVLBLJAWPY-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099287
s1c2c(CCC2)c(c1NC(=O)C(N1CCCC1=O)C)C(=O)OCC	PC-id_60085780	350.433	IBWIIQVHRLFKNO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099288
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCCCC1)C(=O)N	PC-id_4334326	350.433	SOYPPPMKBNZYGS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099289
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC1CCCC1)C(=O)N	PC-id_8233949	350.433	WJIUWZYNYLKPEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099290
S(=O)(=O)(c1n2C[C@H](Oc2nc1)COc1ccc(C(C)(C)C)cc1)C	PC-id_71525591	350.433	FNUAVMRCVGXMOP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099291
S(=O)(=O)(c1n2CC(Oc2nc1)COc1ccc(C(C)(C)C)cc1)C	PC-id_78098367	350.433	FNUAVMRCVGXMOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099292
S(=O)(=O)(c1nc2OC(Cn2c1)COc1ccc(C(C)(C)C)cc1)C	PC-id_78098366	350.433	KORAFIYNUAEGSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099293
S(=O)(=O)(c1nc2O[C@@H](Cn2c1)COc1ccc(C(C)(C)C)cc1)C	PC-id_71525590	350.433	KORAFIYNUAEGSN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099294
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)OCc1ccccc1	EMOLS-id_181476150,PC-id_33038991,MCULE-1488229598	350.434	FMMZWOWQXQHSPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099295
C[C@H](n1c2CSC(=O)c2n(c1=O)Cc1ccccc1)c1ccccc1	SCHEMBL9703361,PC-id_14461228	350.434	NFQZLBQMZCWIRZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099296
O=C(C(c1ccccc1)Oc1ccccc1)Nc1sc2c(n1)CCC2	MCULE-5798719590,EMOLS-id_48773685,PC-id_75415206	350.434	GAQYBHFNAJUTGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099297
O=C(COc1ccc(c2ccccc2)cc1)Nc1nc2c(s1)CCC2	ZINC22_14231524,CoCoCo_4164115,PC-id_17474190,EMOLS-id_13548969,MCULE-9931809762	350.434	MQFXIYKNTZQUIS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099298
O=C(COc1ccccc1c1ccccc1)Nc1nc2c(s1)CCC2	CoCoCo_4164112,EMOLS-id_43971862,ZINC22_9514380,PC-id_16364939,MCULE-1084153482	350.434	VKDSMBWVGJJAMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099299
O=C(Nc1nc2c(s1)CCC2)[C@@H](Oc1ccccc1)c1ccccc1	PC-id_97311643,ZINC22_95949578	350.434	GAQYBHFNAJUTGB-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099300
O=C(Nc1nc2c(s1)CCC2)[C@H](Oc1ccccc1)c1ccccc1	PC-id_97311644,ZINC22_95949579	350.434	GAQYBHFNAJUTGB-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099301
s1c2CCCc2nc1NC(=O)c1cc(OCc2ccccc2)ccc1	PC-id_26723179	350.434	JVXZNUPGNOHEPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099302
S1Cc2c(noc2NC(=O)CC(c2ccccc2)c2ccccc2)C1	PC-id_49719083	350.434	JXVKWWUEVSKNOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099303
S1Cc2n(C(c3ccccc3)C)c(=O)n(c2C1=O)Cc1ccccc1	PC-id_14461227	350.434	NFQZLBQMZCWIRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099304
c1(NC(=O)C2CC2)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053057,EMOLS-id_24913331,MCULE-9805348590	350.436	YRIKROSQPVMESC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-099305
Cc1c(onc1C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_99620535	350.436	JZJINTDYDKBGGS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099306
CC(C)N1C(=O)C[C@@H](NC(=O)Nc2nc3c(s2)CCC3(C)C)C1=O	ZINC22_333606320	350.436	XIACBTVCVJCHFE-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099307
CC(=O)N1CCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	MCULE-5784670444,ZINC22_37227777,CoCoCo_3566639,EMOLS-id_3134537,PC-id_2460060	350.436	YYURPOMEGNPTFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099308
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1conc1)C1CCCC1	PC-id_92110090	350.436	FCGYVBIMQPABPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099309
COc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)c(nn2C)CN(C)C	PC-id_97405287	350.436	BQINVYWERATVJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099310
O=C(Cn1nc2c(c1NC(=O)C1CC1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277604,ZINC22_23139049,PC-id_30862360	350.436	YRIKROSQPVMESC-LLVKDONJSA-N	00100010100000000001000010000000000000000000000000000000	25-01-099311
O=C(Cn1nc2c(c1NC(=O)C1CC1)CSC2)NC[C@@H]1CCCO1	PC-id_30862357,ZINC22_23139046,CoCoCo_5277605	350.436	YRIKROSQPVMESC-NSHDSACASA-N	00100010100000000001000010000000000000000000000000000000	25-01-099312
O=C(NC1CC(=O)N(C1=O)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	MCULE-4142939822,EMOLS-id_102003822	350.436	XIACBTVCVJCHFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099313
S1Cc2c(nn(c2NC(=O)C=CC)CC(=O)NCC2OCCC2)C1	PC-id_44053124	350.436	UQYDBXQRBVUMBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099314
c1(NC(=O)CC(c2ccccc2)c2ccccc2)nnc2SCCn12	MCULE-6487180279,PC-id_27557643,EMOLS-id_22719444,CoCoCo_5085685,ZINC22_17178325	350.437	BMKWQKXUANYOCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099315
Cc1ccc(nc1)NC(=O)c1cc2c(s1)CCN2Cc1cccnc1	PC-id_97410569	350.437	XQKKJUHQAJUMJO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099316
n1c2CCCc2sc1CCNC(=O)c1cccc(c2cnccn2)c1	MCULE-9291303573,PC-id_118796181,EMOLS-id_68942124,ZINC22_299789749	350.437	BZULRQWKVLKTBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099317
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)/C=C/c1cccs1	SCHEMBL2925149,PC-id_68443121	350.437	DOWCJHDLFIJTOJ-CMDGGOBGSA-N	00000010100100110001000010000000000000000000000000000000	25-01-099318
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)C=Cc1cscc1	PC-id_68440999,SCHEMBL2919594	350.437	GZPOERWECZCVMC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-099319
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)/C=C/c1cscc1	SCHEMBL2919589,PC-id_68440998	350.437	GZPOERWECZCVMC-VOTSOKGWSA-N	00000010100100110001000010000000000000000000000000000000	25-01-099320
s1c2CCCc2cc1C(=O)NN=Cc1cn(nc1)Cc1ccccc1	PC-id_84889480	350.437	KHCHQLXBBWOSMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099321
s1c(C=CC(=O)Nc2n[nH]c3CN(Cc23)Cc2ccccc2)ccc1	PC-id_68443123	350.437	DOWCJHDLFIJTOJ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-099322
CN1C[C@@H](NS(=O)(=O)c2cnc3n2CCC3)[C@H](c2cncn2C)C1	MCULE-6366496625,EMOLS-id_316100551,ZINC22_1775960049	350.439	PEJCSLVDOLNOHH-VXGBXAGGSA-N	00000010100000000001100010000000000000000000000000000000	25-01-099323
Cn1ccnc1N1CCC(NS(=O)(=O)c2cnc3n2CCC3)CC1	MCULE-8224854175,EMOLS-id_97936238,ZINC22_328729625	350.439	FNXFWVBYWJXKOD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099324
Cn1ncc(c1)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176317	350.439	VTLCDXBMEAGECG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099325
CCCCC[C@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O	SCHEMBL10959107,PC-id_70480578	350.449	QWKHMNVRXHTABQ-QRNFGIOZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099326
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O	SCHEMBL10984719,PC-id_13216478	350.449	QWKHMNVRXHTABQ-YGWUOURYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099327
o1c2c(C(C(O)C2)C=CC(O)CCCCC)cc1CCCCC(=O)O	PC-id_73178890	350.449	QWKHMNVRXHTABQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099328
o1c2c([C@H]([C@H](O)C2)C=C[C@H](O)CCCCC)cc1CCCCC(=O)O	PC-id_54250525	350.449	QWKHMNVRXHTABQ-QGPMSJSTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099329
o1c2c([C@H]([C@H](O)C2)C=C[C@@H](O)CCCCC)cc1CCCCC(=O)O	PC-id_57089281	350.449	QWKHMNVRXHTABQ-YXJHDRRASA-N	00000010100000000000000010000000000000000000000000000000	25-01-099330
CN(C1CCCCC1)C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46925741,MCULE-7758316151,EMOLS-id_31799139	350.454	SZBCEOQLBRAFMM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099331
CN(C(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12)C1CCCCC1	PC-id_52451447,ZINC22_57476752	350.454	SZBCEOQLBRAFMM-GOSISDBHSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099332
CN(C(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12)C1CCCCC1	PC-id_52451448,ZINC22_57476754	350.454	SZBCEOQLBRAFMM-SFHVURJKSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099333
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H](CO)C[C@H](CN(C)CCOC)C1	EMOLS-id_44737170,MCULE-7680587745,ZINC22_91873119,PC-id_70768490	350.456	RLQONUUSFJCXLJ-KGLIPLIRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099334
c1(NC(=O)c2sc(nc2C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-1645495222,EMOLS-id_93414932,PC-id_118986386,ZINC22_334161217	350.456	WONUZBBUDABOBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099335
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)n1	MCULE-2310959836,EMOLS-id_5565058,ZINC22_4496206,CoCoCo_5138011,PC-id_7254282	350.456	QRTPVFUOCPOUKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099336
c1(sc2c(CCC2)c1C(=O)N)NS(=O)(=O)c1ccc(c(C)c1)C	EMOLS-id_4028970,ZINC22_2755172,TIMTEC435613,MCULE-3803148537,PC-id_4105554,CoCoCo_5810863	350.456	RTVASTUSPKFRJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099337
Cc1ccc(c(c1)C)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3532696,PC-id_8474044,EMOLS-id_16718161,MCULE-4925657777	350.456	VXJHQETVMJPLMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099338
Cc1ccc(c(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)C	PC-id_8474022,EMOLS-id_16718159,MCULE-2210032146,CoCoCo_3532694	350.456	WBNORIXFMHUKKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099339
Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)N)CCC3)c(C)c1	CoCoCo_3541088,PC-id_8085672,ZINC22_6800751,EMOLS-id_3526465,MCULE-7033405281	350.456	TYLKLODHVGHEQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099340
CCN1CCC(CC1)OCCCNC(=O)c1cc2C[C@@H](Cn2n1)OC	MCULE-5268789513,EMOLS-id_316334941	350.456	AOBRRQAAYHWTIH-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099341
CCOC(=O)c1c(NC(=O)Cc2csc(C)n2)sc2CCCc12	EMOLS-id_328014143,MCULE-2541694373	350.456	WAXNICIUOYGPJV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099342
CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	EMOLS-id_43851118,CoCoCo_3348926,PC-id_4556297,ZINC22_5864095,MCULE-5908913094	350.456	OPYYKLHAYQNWSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099343
COC1Cn2c(C1)cc(n2)C(=O)NCCCOC1CCN(CC1)CC	MCULE-2019281640	350.456	AOBRRQAAYHWTIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099344
NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(s2)CCC3)cc1	PC-id_4063174,MCULE-3265131871,ZINC22_4949672,EMOLS-id_43855373,CoCoCo_3362239	350.456	CMAFMCGUBRVCHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099345
OCC1CC(CN(C1)C(=O)c1n[nH]c2c1CCC2)CN(CCOC)C	PC-id_78086007	350.456	RLQONUUSFJCXLJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099346
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1ccc(c(c1)C)C	MCULE-4978626350,EMOLS-id_16729140,PC-id_8474029,CoCoCo_3532695	350.456	XVRANULCCJVFBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099347
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CN1CSCC1=O	EMOLS-id_101170380	350.456	JVPGZFJZCITYIC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-099348
O=C(NCCNS(=O)(=O)c1ccccc1)c1cc2c(s1)CCC2	ZINC22_97206337,EMOLS-id_50303275,MCULE-3546974714,PC-id_78858249	350.456	PTRUUGWCBNUXIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099349
s1c2CCCc2cc1C(=O)Nc1c(c(cc(S(=O)(=O)N)c1)C)C	PC-id_9257356	350.456	ZRJDQOVYGLFHOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099350
s1c2CCCc2cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1	PC-id_9328656	350.456	ULDJNVMQDBTIBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099351
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)NC)c(cc1)C	PC-id_9479354	350.456	PWZCSAOZWQVIMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099352
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1ccc(CC)cc1	PC-id_17474937	350.456	BVWMZOCMDNUPFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099353
s1c2c(CCC2)c(c1NC(=S)NCc1occc1)C(=O)OCC	PC-id_8729360	350.456	VSZOHCOJZVSRGZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-099354
c1(C(=O)N2CCN(CC2)CC=Cc2ccccc2)c2CCCc2n(C)n1	MCULE-1923179070	350.457	BPBUCUFEXJXDQA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-099355
Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420328	350.457	RSARJMANUFIKOO-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-099356
Cn1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2CCCc12	EMOLS-id_179745190,PC-id_110389042	350.457	BPBUCUFEXJXDQA-RMKNXTFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-099357
c1(NC(=O)c2cccs2)c2CSCc2nn1CC(=O)NCCC	MCULE-6652092249,CoCoCo_5277511,ZINC22_23138790,PC-id_30862128,EMOLS-id_24913163	350.459	CCCARENDICXIJL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-099358
c1(NC(=S)Nc2cc(n(C)n2)C)sc2c(CCC2)c1C(=O)OC	PC-id_17375706,TIMTEC124212,ZINC22_6787298,CoCoCo_6811110,MCULE-2278305864,EMOLS-id_4029000	350.459	DKEFOSXXKFYULW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099359
CCNC(=NCc1nnc2n1CCC2)NCCCOCC1CCCO1	PC-id_111020537	350.459	QSCFFPKYIKVXQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099360
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)ccn1)C(=O)N	PC-id_42255171	350.459	OLADIGVINQBOFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099361
s1c2CCCc2c(c1NC(=O)CSC1NC(CC(=O)N1)C)C#N	PC-id_73979256	350.459	LJOGMBMLPKETHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099362
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1)C)C)C(=O)OC	PC-id_17298824	350.459	YGGCDSOGKYNRKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099363
s1c2c(CCC2)c(c1NC(=S)Nc1c(nn(c1)C)C)C(=O)OC	PC-id_20177299	350.459	PHGKKXHFCCOTCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099364
Br[C@H]1C[C@H](Br)c2c1c(Cl)sc2Cl	PC-id_11002627	350.886	QSQKSJMNRBYWIQ-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099530
s1c2c(CCC2)c(c1NC(=S)Nc1nn(CC)cc1)C(=O)OC	PC-id_20177448	350.459	CIYFCZPGWSIOAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099365
s1c2c(CCC2)c(c1NC(=S)NCc1cn(nc1)C)C(=O)OC	PC-id_17298825	350.459	KDXWGVIUDBWFMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099366
s1c2c(CCC2)c(c1NC(=S)NCc1nn(cc1)C)C(=O)OC	PC-id_20174928	350.459	KOIODDMAJNHKEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099367
s1c2c(CCC2)c(c1NC(=S)NCc1n(ncc1)C)C(=O)OC	PC-id_20174988	350.459	YYXOURXIBFPBNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099368
CC(C)c1c(NCc2c3c(nn2C)CCC3)nnn1Cc1ccccc1	ZINC22_2325807323	350.461	RMXIWXOIPIBBKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099369
CCNC(=NCc1nnc2n1CCC2)N1CCC(=CC1)c1ccccc1	PC-id_111263389	350.461	ZYZUIAWTJUDVTJ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-099370
CN=C(N1CCC(=Cc2ccccc2)CC1)NCc1nnc2n1CCC2	PC-id_109414853	350.461	NAHHUESPKSLWEP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-099371
O=C(N1CCSCC1c1nccs1)NCc1nnc2n1CCC2	EMOLS-id_100041009	350.462	HWKZEXYEAQOMCK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099372
s1c(N/N=C/2C(=Nn3nc(nc23)C)C(C)(C)C)nnc1SCC	PC-id_23542652	350.466	KADUSLPZFUWAEB-OVCLIPMQSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099373
s1c(N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)nnc1SCC	PC-id_58679621	350.466	KADUSLPZFUWAEB-NVNXTCNLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099374
s1c(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)nnc1SCC	PC-id_71190990	350.466	KADUSLPZFUWAEB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099375
s1nc(SCC)nc1N/N=C/1c2n(N=C1C)c(nn2)C(C)(C)C	PC-id_59913522	350.466	VYLAVZMGUIQDDQ-NVNXTCNLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099376
s1nc(SCC)nc1NN=C1c2n(N=C1C)c(nn2)C(C)(C)C	PC-id_72594691	350.466	VYLAVZMGUIQDDQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099377
c1(NC(=O)C2CCCC2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334392595,MCULE-1228278408	350.476	SJIPXMNWTLLZDC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099378
c1(NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332333,MCULE-8535214790	350.476	JUVWCTMGVMSPET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099379
c1(NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5930115580,EMOLS-id_9995145,PC-id_43842908	350.476	YBXPVMNNSDVFLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099380
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_43842906,MCULE-4412681627,EMOLS-id_9995141	350.476	VLBQJYZHUWLJMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099381
c1(NC(=O)CCN2CCC(CC2)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_5498499,PC-id_1276744,CoCoCo_5026807,ZINC22_4747845,CoCoCo_5026806,MCULE-4779948347	350.476	ZDNOIGYTHDYERC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099382
c1(NC(=O)CN2CCCCCC2)sc2c(CCC2)c1C(=O)OCC	SCHEMBL6203815,CoCoCo_679794,ZINC22_2497772,PC-id_2059183,TIMTEC21569,MCULE-1359571275,EMOLS-id_1990268	350.476	HBTWVKHXKUCTGV-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-099383
CC(C)CC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	CoCoCo_6376982,PC-id_35180937,ZINC22_27793872	350.476	YBXPVMNNSDVFLY-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099384
CC(C)CC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	CoCoCo_6376983,ZINC22_27793875,PC-id_35180939	350.476	YBXPVMNNSDVFLY-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099385
CCCCC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	PC-id_35180922,CoCoCo_6376974,ZINC22_27793849	350.476	VLBQJYZHUWLJMJ-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099386
CCCCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	ZINC22_27793846,PC-id_35180920,CoCoCo_6376973	350.476	VLBQJYZHUWLJMJ-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099387
CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_33350888,ZINC22_58406577,MCULE-8415630098,PC-id_51116271	350.476	MMYVOEUIFOIKHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099388
CC(C)NC(=O)C1CCCN(C1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956530	350.476	YAIPLOFXLJLICV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099389
CC(C)NC(=O)C1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956531	350.476	ZHGDYCQKDMFYQB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099390
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CN1CCC(C)CC1	CoCoCo_3571146,MCULE-8196573127,EMOLS-id_2918076,PC-id_1554286,CoCoCo_3571145,ZINC22_1746344	350.476	HJFSVKOKTVDHBC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099391
CCOC(=O)c1c(NC(=O)CN2CCCCC2C)sc2c1CCC2	MCULE-1201422399,EMOLS-id_3136869,PC-id_4213993	350.476	ZJCTZLPYAILREG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099392
CCOC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc2c1CCC2	CoCoCo_3572663,PC-id_2465054,CoCoCo_3572665,ZINC22_3348228	350.476	ZJCTZLPYAILREG-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099393
CCOC(=O)c1c(NC(=O)CN2CCCC[C@@H]2C)sc2c1CCC2	ZINC22_3348232,PC-id_2465059,CoCoCo_3572662,CoCoCo_3572664	350.476	ZJCTZLPYAILREG-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099394
CCOC(=O)c1c(NC(=O)CN(C2CCCC2)C)sc2c1CCC2	PC-id_112804365	350.476	JBSPWJNORGCAAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099395
CCOC(=O)c1c(NC(=O)CN(CC2CC2)CC)sc2c1CCC2	PC-id_86946269	350.476	LMTIPJZWROAAMX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099396
O=C(c1sc2c(c1)CCC2)NCC1(CCOCC1)N1CCOCC1	EMOLS-id_101520210	350.476	QTKYYNJKUKUIBL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099397
s1c2c(CCC2)c(c1NC(=O)CN1C(CCCC1C)C)C(=O)OC	PC-id_17282541	350.476	HMJDRUZSIMLEKX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099398
s1c2c(CCC2)c(c1NC(=O)CN1CC(CC(C1)C)C)C(=O)OC	PC-id_22197993	350.476	NXYPBECDEKXRSD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099399
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C)C(=O)OCC	PC-id_4824458	350.476	DACRIIUAONHIPW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099400
s1c2c(CCC2)c(c1NC(=O)CN1CCCCCCC1)C(=O)OC	PC-id_24427757	350.476	XEKFQERGRRZMPW-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-099401
s1c2c(CCC2)c(c1NC(=O)CN1C[C@H](CCC1)C)C(=O)OCC	PC-id_8903616	350.476	DACRIIUAONHIPW-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099402
s1c2c(CCC2)c(c1NC(=O)CN1C[C@@H](CCC1)C)C(=O)OCC	PC-id_8903618	350.476	DACRIIUAONHIPW-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099403
s1c2c(CCC2)c(c1NC(=O)CN(C1CCCCC1)C)C(=O)OC	PC-id_22200479	350.476	OVZYWAZYJSOKLC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099404
s1c2c(CCC2)c(c1NC(=O)CNC1CCCCC1)C(=O)OCC	PC-id_4863645	350.476	GOWIVLGDVGNXAA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099405
C1(CCCC1)(Cc1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4939111213,EMOLS-id_328165817	350.477	VMDHLSNYYLCNHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099406
C1(CCCCC1)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5234858734,EMOLS-id_328218394	350.477	KUIPOZHLZQKLCH-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-099407
CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327835748	350.477	FYVNWWNQEVDUKT-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099408
COCCc1c2C(CSc2sc1S(=O)(=O)N)NC(=O)CC	PC-id_139605925	350.477	RVVGXYJPYSBHOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099409
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(cc1)C(C)(C)C	MCULE-1954199301	350.477	FYVNWWNQEVDUKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099410
N#Cc1c(NC(=O)C(c2ccccc2)C2CCCC2)sc2c1CCC2	SCHEMBL2643661,PC-id_11337065	350.477	GWZMQNCMHKZVSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099411
O=S1(=O)c2sc(cc2CC1(C)CN1CCCC1)S(=O)(=O)N	SCHEMBL9711132,PC-id_19759907	350.477	NCOUCEBBAGJTHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099412
c12SCCn1cc(CNCC1(CCCN(CC3CCC3)C1=O)O)n2	MCULE-8560881492,PC-id_45228166,EMOLS-id_20648697	350.479	JWBJEOJPMFVIPJ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-099413
c12SCCn1cc(CNC(=O)C1CCN(CC1)C1CCOCC1)n2	MCULE-1943524861,ZINC22_299794732,EMOLS-id_68939138,PC-id_118794633	350.479	NMJKYKZLSNTCGG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099414
c1(CN2CCOC(C(=O)N3CCSCC3)C2)c2CCCc2nn1C	EMOLS-id_337729481,MCULE-5948364302	350.479	NWYIASHUFAUCQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099415
c1(NC(=O)CC2CCCC2)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277523,EMOLS-id_24913185,ZINC22_23138825,MCULE-7108721969,PC-id_30862161	350.479	BSYCNVAXUOXTMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099416
c1(NC(=O)[C@H]2CCCC[C@H]2C(=O)NCCC)n(C)nc2CSCc12	PC-id_134705470,MCULE-2890856228,EMOLS-id_316147438,ZINC22_1529159066	350.479	NDFKWEOXPFUHFY-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099417
c1(NC(=O)C(=O)NC2CCCCC2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617884,ZINC22_5438158,CoCoCo_5184698,PC-id_7685502,MCULE-9605178394	350.479	KQKAHWDLTFMZFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099418
CC(C)C(=O)N1CCCN(CC(=O)Nc2nc3c(s2)CCC3)CC1	ZINC22_118831092,MCULE-7102800011,EMOLS-id_99371518	350.479	YWVAHXKSBDFLDX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-099419
CCCC(=O)N1CCN(C(=O)N[C@H](C)c2nc3c(s2)CCC3)CC1	ZINC22_2325751499	350.479	LECBLQXFZVLXOD-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099420
CCCC(=O)N1CCN(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)CC1	ZINC22_2325751500	350.479	LECBLQXFZVLXOD-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099421
CCCN1CCCN(CC1=O)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007275	350.479	MZULTRGEQSXRGQ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-099422
Cn1nc2c(c1CN1CCO[C@H](C(=O)N3CCSCC3)C1)CCC2	ZINC22_2298187899	350.479	NWYIASHUFAUCQJ-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099423
Cn1nc2c(c1CN1CCO[C@@H](C(=O)N3CCSCC3)C1)CCC2	ZINC22_2298187900	350.479	NWYIASHUFAUCQJ-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099424
N#CC1(CCC(CC1)C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_111856850	350.479	PRWUHOIYJQWZPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099425
Br[C@@H]1C[C@H](c2c1c(Cl)sc2Cl)Br	PC-id_102378766	350.886	QSQKSJMNRBYWIQ-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099531
O=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1cn2c(n1)SCC2	CoCoCo_1491753,ZINC22_12305196	350.479	JWBJEOJPMFVIPJ-QGZVFWFLSA-N	00001010100010000001000010000000000000000000000000000000	25-01-099426
O=C1N(CC2CCC2)CCC[C@]1(O)CNCc1cn2c(n1)SCC2	ZINC22_12305198,CoCoCo_1491754	350.479	JWBJEOJPMFVIPJ-KRWDZBQOSA-N	00001010100010000001000010000000000000000000000000000000	25-01-099427
O=C(C1COCCN1C1CCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99139890	350.479	ZTGDGRNUJRWUTQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099428
O=C(C(NC(=O)C1CCCCC1)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99842402	350.479	HJODATBQEVEJBM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099429
O=C(N1CC(C1C1CCCO1)(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99647073	350.479	HSFMTRUOJQXZOL-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-099430
O=C(N1CCC(C1)C1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99861215	350.479	IXZODYWTEHPGHE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099431
O=C(N1CCCC1C1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99864839	350.479	BNKNJUQECCNHGO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099432
O=C(N1CCC(CC1)C1CCCO1)NCCc1cn2c(n1)SCC2	EMOLS-id_99963222	350.479	LGTWMESVKQLZSP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099433
O=C(N1CCN(CC1)C(=O)C(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999958	350.479	HFCBPHYJWFCUFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099434
O=C(N1CCOCC(C1)C1CCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_100596316	350.479	WWXOLMHSDBBTQY-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-099435
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(CC1)N1CCOCC1	EMOLS-id_102007338	350.479	VRHFPWGNYQEWBL-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-099436
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCCN(C1)C(=O)C	EMOLS-id_102008829	350.479	TWAGDPHBHNXASQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099437
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCN(CC1)C(=O)C	EMOLS-id_102002019	350.479	FLDPDNCJHVLXQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099438
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCC(=O)N1CCCCC1	EMOLS-id_102000123	350.479	UJGXXQKGDZQEBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099439
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)N	EMOLS-id_102012742	350.479	VOTPAZIEJPDYKQ-XYPYZODXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099440
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccsc1)C)C(=O)N	PC-id_9054610	350.479	HLWIZUFWRKKASZ-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-099441
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)C)C(=O)N	PC-id_8966117	350.479	MOGPPGQRSVJIQG-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-099442
S1Cc2c(NC(=O)C3CCCCC3)n(nc2C1)CC(=O)NCCC	PC-id_44052862	350.479	JNDNGOOUAHORAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099443
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCC(CC1)C	PC-id_7685564	350.479	ZXUFLQQERXLACL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099444
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CC(CCC1)C	PC-id_78524951	350.479	ZDJUDQHPQVMNIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099445
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCCCCC1	PC-id_7685559	350.479	AILNKJWDGYPPIP-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-099446
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1C[C@@H](CCC1)C	PC-id_7685562	350.479	ZDJUDQHPQVMNIW-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099447
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1C[C@H](CCC1)C	PC-id_7685563	350.479	ZDJUDQHPQVMNIW-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-099448
N#Cc1c(NC(=O)CCSc2nnc(s2)C)sc2c1CCC2	SPECS-id_AN-153/NB25394,MCULE-5175842404	350.482	IUFOEEXUAMZOKW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099449
CCN(C1CCCCC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7037298882,EMOLS-id_328342419	350.497	BUZPRHVUSXYFGX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099450
CCN(CC1CCCC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9364369027,EMOLS-id_328340626	350.497	UIWVQEHHSQGXJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099451
CC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C1CCCCC1	MCULE-7193435975,EMOLS-id_328216444	350.497	SYHFNEIQFYFROD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099452
c1(NC(=S)NC(CC)(CC)C#C)sc2c(CCC2)c1C(=O)OC	MCULE-6267974967,EMOLS-id_4029062,ZINC22_17072788,TIMTEC202396,CoCoCo_6836895,PC-id_17270844	350.499	HTVDPLFFZWOQPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099453
C[C@@H]1C[C@H](C)C[N@@H+](C1)[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_9430915,GD-id_ZINC14915093	350.499	WRMSRIJUMOCNEH-TUAOUCFPSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099454
C[C@@H]1C[C@@H](C)C[N@@H+](C1)[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_9430919,GD-id_ZINC08307332	350.499	WRMSRIJUMOCNEH-UTUOFQBUSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099455
O=C(C1CC(=O)c2c1ccs2)N1CCSCC1CN1CCCC1	PC-id_15730167,SCHEMBL8902549	350.499	KQOMFOKUPBGYMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099456
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCCCCCC1)C)C(=O)N	PC-id_9460547	350.499	CDOHSMOCCAWMQQ-LBPRGKRZSA-O	00000010100000000100000010000000000000000000000000000000	25-01-099457
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCCCCCC1)C)C(=O)N	PC-id_9460550	350.499	CDOHSMOCCAWMQQ-GFCCVEGCSA-O	00000010100000000100000010000000000000000000000000000000	25-01-099458
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCCCCCC1)C)C(=O)N	PC-id_85014637	350.499	CDOHSMOCCAWMQQ-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-099459
s1c(NC(=O)[C@@H]([NH+]2C[C@H](C[C@@H](C2)C)C)C)c(c2c1CCC2)C(=O)N	PC-id_9430917	350.499	WRMSRIJUMOCNEH-SRVKXCTJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099460
s1c(NC(=O)C([NH+]2CC(CC(C2)C)C)C)c(c2c1CCC2)C(=O)N	PC-id_85008196	350.499	WRMSRIJUMOCNEH-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099461
O=C(N1CCCC(CC1)NCc1sc2c(c1)CCC2)OC(C)(C)C	PC-id_113361537	350.519	WKCBUFQVZPWITP-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-099462
O=C(OC(C)(C)C)NCC1CCCC1NCc1sc2c(c1)CCC2	PC-id_113242259	350.519	RBXOYUWCTIDPAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099463
CCCNC1c2cc(sc2SC1(C)CCOC)S(=O)(=O)N	PC-id_21735813,SCHEMBL9652991	350.52	RTPRGFWKPOWQMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099464
CCCNC1c2cc(sc2SC1(C)C(OC)C)S(=O)(=O)N	PC-id_141560802	350.52	TXGGCHNVCCHSFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099465
COCCCC1(C)Sc2c(C1NCC)cc(s2)S(=O)(=O)N	PC-id_21735828,SCHEMBL9653521	350.52	APPALGFOTVNWHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099466
CC1CC(CCN1C(=O)NCCc1cn2c(n1)SCC2)C(C)(C)C	EMOLS-id_99073616	350.522	WKJGZKMFWHUZLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099467
CCCCCC1C(CC(=O)N2CCN(CC2)C)Cc2c1nc(s2)N	PC-id_17747093,SCHEMBL11988486	350.522	YKJCAJQDSHQLSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099468
O=C(N1CCCC(CC1)C(C)(C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_99899889	350.522	OXMHSPOKPMQBBU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-099469
Brc1c(Cl)n2C(C(C(O)(c2c1)C(=O)OC)C(=O)C)C	PC-id_78141292	350.593	OVWWOQLVMGRQCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099470
Brc1c(Cl)n2[C@@H]([C@H]([C@@](O)(c2c1)C(=O)OC)C(=O)C)C	PC-id_71658360	350.593	OVWWOQLVMGRQCS-PAWACCKXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099471
Brc1n2C(C(C(O)(c2cc1Cl)C(=O)OC)C(=O)C)C	PC-id_78141192	350.593	QBSQHMRPWYAKQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099472
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Cl)C(=O)OC)C(=O)C)C	PC-id_71658164	350.593	QBSQHMRPWYAKQP-PAWACCKXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099473
Clc1n(c(C(=O)c2n3c(C(CC3)C(=O)O)c(c2C)C(=O)O)cc1)C	PC-id_70490183,SCHEMBL11005594	350.754	IEKZNJGXEFZSKO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-099474
c1(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)c2CCCc2n(C)n1	MCULE-8794646372,EMOLS-id_320482826,PC-id_84467382	350.775	RJHTUGRZXMLVQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099475
CCCc1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324847331	350.78	GBTWDKHBKKRFKA-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099476
CC(C)c1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324849388	350.78	SVKRYINVYNFIMH-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099477
n12c(=O)c(=Cc3ccc(Cl)c(c3)N(=O)=O)sc1nc(C(C)C)n2	MCULE-7924776767	350.78	SVKRYINVYNFIMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099478
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCC	MCULE-9558047274	350.78	GBTWDKHBKKRFKA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099479
Clc1cc(OCC(=O)Nc2sc3CCCc3c2C#N)ccc1F	PC-id_8249805	350.795	WIOXSYPUJHWLRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099480
Clc1c(OCC(=O)Nc2sc3CCCc3c2C#N)ccc(F)c1	PC-id_8233401	350.795	UUIWGHJNHPCCLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099481
Cc1c(c(c2n1CCN2Cc1cnc(cc1)Cl)[N+](=O)[O-])OC(C)C	SCHEMBL14646145,PC-id_89392564	350.8	IHQNRLBNYUCWKP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099482
CCCOc1c(C)n2c(c1[N+](=O)[O-])N(CC2)Cc1ccc(nc1)Cl	PC-id_71518120,SCHEMBL14646101	350.8	SZHUCQGVJJDTKF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099483
CCOc1c(Cl)cc(C(=O)NCc2nnc3n2CCC3)cc1OC	ZINC22_13001549,CoCoCo_4474336,MCULE-7710453096,EMOLS-id_16702302,PC-id_17508908	350.8	KSSPOYGVTZSHMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099484
CCOCCOc1ccc(cc1NC(=O)N1CCn2c1ncc2)Cl	EMOLS-id_320085679,MCULE-5804113206	350.8	DCGBEQMAYXRZMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099485
Clc1cc(C(=O)COC(=O)c2sc3CCCc3c2)ccc1OC	PC-id_7487793	350.817	UHWPAETUMAIYHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099486
c1(ccc(Cl)nc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-7638668629,EMOLS-id_327974188	350.82	CSSNMJRIEDYOKU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099487
c1(cccnc1Cl)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-6392157369,EMOLS-id_328041674,PC-id_4626633	350.82	CODOGYDCRIZTQA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099488
c1(NC(=O)C2CC(=CCC2C(=O)O)Cl)sc2c(CCC2)c1C#N	EMOLS-id_1444557,SPECS-id_AL-281/40679198,ChEMBL-DNDi_CHEMBL6498768,MCULE-2306887325,BAS-04055050,PC-id_2900119	350.82	RILGFZUVCUWCTR-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-099489
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)N	PC-id_1239727,ZINC22_1026876,EMOLS-id_2169131,STOCK3S-17205,ChEMBL-DNDi_CHEMBL6686619,CoCoCo_819756,MCULE-9271329965	350.82	CLFKDEGHKRGTFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099490
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_1083003,MCULE-2332523402,CoCoCo_346276,TIMTEC395009,ChEMBL-DNDi_CHEMBL1683-3351,EMOLS-id_1477864,BAS-06189297,ZINC22_798699	350.82	QAIBLZDXBXUWLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099491
c1(NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C(=O)N	STOCK2S-57352,BAS-00836982,CoCoCo_139216,PC-id_1571667,MCULE-7168024662,SPECS-id_AT-225/NB60022,ZINC22_1781577,EMOLS-id_603757	350.82	LMHPVMKQEAONLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099492
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4029176,PC-id_4623081,CoCoCo_6782316,TIMTEC439881,ZINC22_5526395,MCULE-3317081586	350.82	RYNGFPZKROYVBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099493
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	CoCoCo_6184264,MCULE-9408375452,EMOLS-id_3767544,PC-id_4058421,ZINC22_4656890,SPECS-id_AN-153/I176606,SPECS-id_AN-329/40369145,TIMTEC393381,SPECS-id_AT-084/J171933	350.82	PYOCYUDJQAEHKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099494
CCOC(=O)c1c(NC(=O)c2cccc(Cl)n2)sc2CCCc12	MCULE-4074189461,EMOLS-id_327976708	350.82	SOULXTDGOJJAEA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099495
CCOC(=O)c1c(NC(=O)c2ccnc(Cl)c2)sc2CCCc12	MCULE-7178610576,EMOLS-id_327964975	350.82	DTBYHTZPBBUPPU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099496
Clc1ccc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)nc1	PC-id_7291941	350.82	ZPZDFHRKEXNYDG-VIFPVBQESA-N	00000010100000101000000010000000000000000000000000000000	25-01-099497
Clc1ccc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)nc1	PC-id_7291942	350.82	ZPZDFHRKEXNYDG-SECBINFHSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099498
Clc1ccc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)nc1	PC-id_45637951	350.82	ZPZDFHRKEXNYDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099499
ClC1=CC(=CNNC(=O)c2sc3CCCc3c2)C=C(OC)C1=O	PC-id_9462336	350.82	CYLPJDUQPRVVCU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-099500
Clc1ccc(OCC(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_26872772	350.82	HJEOGAYLWVZFEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099501
Clc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)c(OC)cc1	PC-id_26872821	350.82	OMRRCHJRKGHWIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099502
Clc1c(OCC(=O)NNC(=O)c2sc3CCCc3c2)cccc1	PC-id_27684468	350.82	CNKXMMHATWZMMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099503
Clc1ncccc1NC(=O)[C@@H](OC(=O)c1sc2CCCc2c1)C	PC-id_8359158	350.82	IEJMNARUOMSOKV-VIFPVBQESA-N	00000010100000101000000010000000000000000000000000000000	25-01-099504
Clc1ncccc1NC(=O)[C@H](OC(=O)c1sc2CCCc2c1)C	PC-id_8359159	350.82	IEJMNARUOMSOKV-SECBINFHSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099505
Clc1ncccc1NC(=O)C(OC(=O)c1sc2CCCc2c1)C	PC-id_78674833	350.82	IEJMNARUOMSOKV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099506
COc1c(c(cc(c1)/C=N/NC(=O)c1cc2c(s1)CCC2)Cl)O	PC-id_135749582	350.82	VKFXNTKFSNNLHE-QGMBQPNBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099507
COc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1Cl	PC-id_4503422,ZINC22_6736715	350.82	ITSLURSDNCMJQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099508
N#Cc1c(NC(=O)[C@@H]2CC(=CC[C@H]2C(=O)O)Cl)sc2c1CCC2	CoCoCo_312697,ZINC22_4652748,PC-id_880156	350.82	RILGFZUVCUWCTR-GHMZBOCLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-099509
N#Cc1c(NC(=O)[C@@H]2CC(=CC[C@@H]2C(=O)O)Cl)sc2c1CCC2	CoCoCo_312698,PC-id_7310258,ZINC22_4652746	350.82	RILGFZUVCUWCTR-WDEREUQCSA-N	00000010100011000000000010000000000000000000000000000000	25-01-099510
N#Cc1c(NC(=O)[C@H]2CC(=CC[C@@H]2C(=O)O)Cl)sc2c1CCC2	PC-id_880157,CoCoCo_312696,ZINC22_4652747	350.82	RILGFZUVCUWCTR-QWRGUYRKSA-N	00000010100011000000000010000000000000000000000000000000	25-01-099511
N#Cc1c(NC(=O)[C@H]2CC(=CC[C@H]2C(=O)O)Cl)sc2c1CCC2	ZINC22_4652749,PC-id_880155,CoCoCo_312695	350.82	RILGFZUVCUWCTR-MNOVXSKESA-N	00000010100011000000000010000000000000000000000000000000	25-01-099512
NC(=O)c1c(NC(=O)COc2cccc(Cl)c2)sc2c1CCC2	MCULE-1180405590,PC-id_2411332,ZINC22_3295738,EMOLS-id_45710185	350.82	RXEPASOWVMAQDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099513
CN=C(N(Cc1c(F)cccc1Cl)C)NCc1nnc2n1CCC2	PC-id_119131676	350.822	SLKMBLJLHYERGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099514
c1(NC(=O)c2ccc(cc2Cl)NC(=O)C)n(C)nc2CSCc12	PC-id_134712735,ZINC22_1529190892,MCULE-3856984320,EMOLS-id_316258570	350.823	OQIWSHGJTZOSKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099515
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)n(C)nc2CSCc12	EMOLS-id_334561461,MCULE-2822630170	350.823	RUNKFGUCRAVEQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099516
Clc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328220017,MCULE-8498917959	350.841	ISHUNQBZUMWJHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099517
Clc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328219514,MCULE-9989971981	350.841	SORSSFBBKRSMCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099518
Clc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-4704729998,EMOLS-id_328218483	350.841	VFMKOTDLSSIPLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099519
CC(C)n1nc(CN(C)C)c2c1CN(C(=O)Cn1cc(Cl)cn1)C2	EMOLS-id_313736662,ZINC22_1565554595	350.846	VLLFBJNKNHRPDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099520
Clc1nc2sccn2c1C=NNC(=O)c1sc2CCCc2c1	PC-id_85015438	350.846	BHBVSXIHZBSGAM-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-099521
Clc1cc(c(OCCCC(=O)Nc2sc3CCCc3n2)cc1)C	PC-id_4090427	350.863	IIHJADQAGZSCKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099522
c1(NC(=O)Nc2ccc(cc2)Cl)c2CSCc2nn1C(C)(C)C	CoCoCo_4972817,EMOLS-id_5426543,MCULE-4555494737,ZINC22_4077362,PC-id_5064926	350.866	UQJJJAQIRLRCIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099523
c1(NC(=O)Nc2cccc(Cl)c2)c2CSCc2nn1C(C)(C)C	MCULE-4587639991,CoCoCo_4972818,ZINC22_4077363,PC-id_5065053,EMOLS-id_5426545	350.866	XOAHSHRPGKQPLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099524
BrC1CC(Br)c2c1c(Cl)sc2Cl	PC-id_85313834	350.886	QSQKSJMNRBYWIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099525
Brc1sc(Br)c2C(Cl)CC(Cl)c12	PC-id_78201054	350.886	JEDSLVFNFSINJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099526
Brc1sc(Br)c2[C@@H](Cl)C[C@H](Cl)c12	PC-id_10937038	350.886	JEDSLVFNFSINJQ-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099527
Brc1sc(Br)c2[C@H](Cl)C[C@H](Cl)c12	PC-id_641169	350.886	JEDSLVFNFSINJQ-WSOKHJQSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099528
Br[C@@H]1C[C@H](Br)c2c1c(Cl)sc2Cl	PC-id_10915115	350.886	QSQKSJMNRBYWIQ-WSOKHJQSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099529
CCOC1=C(SC2=C1C(=O)N(C2)CC3=CC=CC=C3)Br	PC-id_162352673	350.993	DMSVQUXRNUZLHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099533
C=CCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_117741496,SCHEMBL16296446	351.014	ATQANHHHACVDAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099534
C1C2=CN(N=C2CN1)S(=O)(=O)C3=CC=C(S3)CCC(F)(F)F	PC-id_164872226	351.032	MNVAXTDIJKYOMD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-099535
[Se]=c1[se]c2c([se]1)SCS2	PC-id_101062894	351.069	FZLICDWZIIMMJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099536
COC(=O)NC1CCC2=C(NC=C12)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_151271900	351.079	NWNWZCOHHUUHGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099537
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12	PC-id_71340,ZINC22_3784073,PD063286,SCHEMBL15745949,SCHEMBL2781768	351.11	MRMBZHPJVKCOMA-YJFSRANCSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099538
CN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=CC=C(C=C4)F)N)C=N1	PC-id_160448264	351.15	VSZXUUZSDOGNPZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-099539
Cn1cc2CN(Cc2n1)C(=O)Cc1c(ccc(n1)c1ccccc1F)N	PC-id_163746723	351.15	NAWBDHCITOGVJH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-099540
CN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=CC=C(C=C4)F)N	PC-id_160448263	351.15	XUWGIPKTPMSTQF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-099541
CC1(C2=C(CN1C(=O)O)C(=NN2C(=O)O)NC(=O)N3CCCCC3)C	PC-id_153867846	351.154	HULUXQOGVAHILQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099542
CC=COC(=O)N1CCN(CC1)C[C@]2(CN3C=C(N=C3O2)[N+](=O)[O-])C	PC-id_153870278	351.154	IDTFDAXGTMMVOF-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099543
C1CC2=NN=C(N2C1)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F	MCULE-6120880848,EMOLS-id_324594484,PC-id_154828898,ZINC22_1888863767	351.167	MLWHTZRGDXDBAI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099544
Brc1cc(C=NNC(=O)c2n[nH]c3CCCc23)c(F)cc1	PC-id_2042492	351.174	DAIPIGIBJQFESM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099545
C/C=CC(=C/N=C)C1=NC(=C(C=C1)N)NC(=O)N2CC3=C(C2)N(N=C3)C	PC-id_155171454	351.181	CWXKYYLLEBZCIK-KVIXIMHDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099546
C/C=CC(=C/N=C)C1=NC(=C(C=C1)N)NC(=O)N2CC3=CN(N=C3C2)C	PC-id_155171374	351.181	XTNLWWWRBILIOQ-KVIXIMHDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099547
Cn1nc2c(c1NC(=O)Cc1ccnc(O)c1Br)CCC2	EMOLS-id_316884048,MCULE-1569467873,ZINC22_278234145	351.198	VKDQBIVZYJQUHU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099548
COc1ccc(Br)c(C(=O)NCc2nnc3n2CCC3)c1	CoCoCo_4474338,PC-id_40108029,MCULE-9707913194,ZINC22_32873609,EMOLS-id_24042334	351.198	ITRLUMILUFNFPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099549
Brc1ccc(nc1)N(C(=O)c1nn2c(c1)OCC2)C(C)C	EMOLS-id_99768986	351.199	GPEXKSAEMWWTAK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099550
Cc1nc(O)c(Br)cc1C(=O)N[C@H]1C[C@H](C)n2ccnc12	ZINC22_333970504	351.199	VQNSNXUYXAPUGD-CPCISQLKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099551
Cc1nc(O)c(Br)cc1C(=O)N[C@H]1C[C@@H](C)n2ccnc12	ZINC22_333970505	351.199	VQNSNXUYXAPUGD-HQJQHLMTSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099552
Cc1nc(O)c(Br)cc1C(=O)N[C@@H]1C[C@@H](C)n2ccnc12	ZINC22_333970506	351.199	VQNSNXUYXAPUGD-RDDDGLTNSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099553
Cc1nc(O)c(Br)cc1C(=O)N[C@@H]1C[C@H](C)n2ccnc12	ZINC22_333970507	351.199	VQNSNXUYXAPUGD-WRWORJQWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099554
COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1Br	ZINC22_12890431,MCULE-5965388989,CoCoCo_4474382,PC-id_17513934,EMOLS-id_16716149	351.199	NNSOVDDGDIVTMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099555
O=C(c1cc(Br)c(nc1C)O)NC1CC(n2c1ncc2)C	MCULE-1413999455,EMOLS-id_101551364	351.199	VQNSNXUYXAPUGD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099556
OC(c1cccnc1)CNC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_316574887	351.199	XWVKPFJKMLUYKB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099557
OCC(c1ccccn1)NC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_278825191	351.199	ZFNMTBRBNAKCPD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099558
CC(C)(C)OC(=O)c1sc2CNCc2c1I	EMOLS-id_329988614	351.204	QPXSPWBAACICMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099559
CCCCCCc1c(Br)sc2c1C(=O)C(C2=O)(F)F	PC-id_139254646	351.207	JKPRYDKXBRXWKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099560
Clc1cc(/N=C/c3n(N=C2C)c(nn3)CCCC)cc(Cl)c1[O-]	PC-id_22944531	351.211	ZQVFLDURVVHHMJ-QGOAFFKASA-M	00000011100000110001000010000000000000000000000000000000	25-01-099561
CC1CCc2c1c(C=O)nn2Cc1c(F)ccc(C)c1Br	MCULE-1768663407,EMOLS-id_331003892	351.213	AKBJDZFRQMHJJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099562
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(C=O)c12	MCULE-4304192744,EMOLS-id_330983615	351.213	NVKYDRBUUVGKCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099563
c1(NC(=O)c2c(Br)cnn2C)sc2c(CCC2)c1C#N	ZINC22_2775154,CoCoCo_6578659,PC-id_4516185,EMOLS-id_4029339,MCULE-3159800349,TIMTEC435538	351.222	RTSYPGOHFIXCSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099564
c1(NC(=O)c2nn(cc2Br)C)sc2c(CCC2)c1C#N	ZINC22_2206261,STOCK3S-03969,MCULE-9313116359,CHEMBL1561441,ChEMBL-DNDi_CHEMBL1561441,EMOLS-id_4029341,PC-id_1839774,TIMTEC355535	351.222	OIGIFPZXKXSRTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099565
Cc1nn2c(n1)/c(=C/c1cc(c(c(c1)Cl)O)Cl)/c(n2)C(C)(C)C	PC-id_135794562	351.23	IFNJXCJBVJKPKK-BJMVGYQFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099566
Cc1nn2c(n1)/c(=C/c1cc(c(c(c1)Cl)O)Cl)/c(n2)CC(C)C	PC-id_135794563	351.23	IEUQZOPOAUHESL-VZUCSPMQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099567
Cc1nn2c(n1)/c(=Cc1cc(c(c(c1)Cl)O)Cl)/c(n2)CC(C)C	PC-id_136034571	351.23	IEUQZOPOAUHESL-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099568
Cc1nn2c(n1)/c(=Cc1cc(c(c(c1)Cl)O)Cl)/c(n2)C(C)(C)C	PC-id_136034582	351.23	IFNJXCJBVJKPKK-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099569
Cc1nn2c(n1)c(=Cc1cc(c(c(c1)Cl)O)Cl)c(n2)CC(C)C	PC-id_136508484	351.23	IEUQZOPOAUHESL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099570
Cc1nn2c(n1)c(=Cc1cc(c(c(c1)Cl)O)Cl)c(n2)C(C)(C)C	PC-id_136647073	351.23	IFNJXCJBVJKPKK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099571
CCCCc1nnc2n1nc(/c/2=C/c1cc(c(c(c1)Cl)O)Cl)C	PC-id_136018018	351.23	XMWXVTNIQGSEIT-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099572
Clc1ccc(c(c1)Cl)/C=CC(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4880107	351.23	DQRWWEDFIJQDMX-ALCCZGGFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099573
Clc1ccc(c(c1)Cl)C=CC(=O)N(Cc1nnc2n1CCC2)C	EMOLS-id_29650965,MCULE-1947368437,PC-id_72052060	351.23	DQRWWEDFIJQDMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099574
Clc1cc(/C=C/C(=O)N(Cc2n3CCCc3nn2)C)ccc1Cl	PC-id_52599201	351.23	SNFRIXMQKFIVNC-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099575
Clc1cc(C=CC(=O)N(Cc2n3CCCc3nn2)C)ccc1Cl	PC-id_75878336	351.23	SNFRIXMQKFIVNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099576
CN(Cc1nnc2n1CCC2)C(=O)/C=C/c1ccc(Cl)cc1Cl	PC-id_45887284,ZINC22_40092678,CoCoCo_4880106	351.23	DQRWWEDFIJQDMX-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099577
O=C1C(CCN1c1ccc(c(c1)Cl)Cl)NC1CCn2c1ncc2	MCULE-6996791816,EMOLS-id_318012822	351.23	BVQPIPWQXWBJTD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099578
N#Cc1ccc(c(c1Br)F)NCc1sc2c(c1)CCC2	PC-id_107537366	351.237	IWKFPVVPACAOMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099579
Brc1cnc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261624	351.238	ZKOZWNQBWYNSGY-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099580
CC(c1ccc(cc1)OC[C@H]1Oc2n(C1)cc(n2)Br)(C)C	PC-id_140261718	351.238	YWEQPFRIKGVEIL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099581
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2CO)c1	MCULE-6650708640,EMOLS-id_330991285	351.238	ISQCVQLTFQXGPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099582
COc1ccc(Br)c(Cn2nc(CO)c3C(C)CCc23)c1	EMOLS-id_331008506,MCULE-2383755287	351.238	FXLBYEGLIWLOIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099583
COc1ccc(Cn2nc3CCC(C)c3c2Br)cc1OC	MCULE-5677631894,EMOLS-id_331014825	351.238	SJGZOCQMWMTWHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099584
COc1ccc(Cn2nc3CCC(C)c3c2Br)c(OC)c1	MCULE-8360144444,EMOLS-id_331015081	351.238	CPLLLPXVINFTMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099585
COc1ccc(Cn2nc3CCC(C)c3c2CO)c(Br)c1	MCULE-2523807467,EMOLS-id_330991541	351.238	BSWDSCBWGUGPJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099586
COc1ccc(Cn2nc(Br)c3C(C)CCc23)cc1OC	MCULE-6693757798,EMOLS-id_330967292	351.238	LCRLIHPCIWQLCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099587
COc1ccc(Cn2nc(Br)c3C(C)CCc23)c(OC)c1	MCULE-2186531808,EMOLS-id_330967548	351.238	JYCZYQCVXAEGNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099588
COc1ccc(Cn2nc(CO)c3C(C)CCc23)c(Br)c1	EMOLS-id_331008762,MCULE-7306616304	351.238	MAIFJBTZGCPEIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099589
Brc1cc(CNC(c2n3CCCc3nn2)C)ccc1OC	PC-id_43791493	351.242	PLYMKQLRYVCWRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099590
Brc1cc(CNC(c2n3CCCc3nn2)C)c(OC)cc1	PC-id_43433218	351.242	VCDHXCOKBJFMRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099591
Brc1cc(CN[C@H](c2n3CCCc3nn2)C)ccc1OC	PC-id_51887816	351.242	PLYMKQLRYVCWRF-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-099592
Brc1cc(CN[C@@H](c2n3CCCc3nn2)C)ccc1OC	PC-id_51887818	351.242	PLYMKQLRYVCWRF-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099593
COc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)Br	PC-id_103827926	351.242	TXIAXHPHJYRTSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099594
c1(C#N)c2CCCc2sc1N=Cc1cc(Cl)cc(Cl)c1OC	PC-id_3108163,MCULE-9157083035	351.25	RJWRJDHRXFWRIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099595
c1(NC(=O)Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322818343,MCULE-7801757310	351.25	LXJUVAAQLOTDEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099596
c1(NC(=O)Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322818599,MCULE-6904128620	351.25	MUGNWXXVPIPBDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099597
COc1c(Cl)cc(Cl)cc1/C=N/c1sc2c(c1C#N)CCC2	CoCoCo_75982,EMOLS-id_1225737,ZINC22_1508753,BAS-00463397,PC-id_9592520	351.25	RJWRJDHRXFWRIP-DNTJNYDQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099598
N#Cc1c(/N=Cc2cc(Cl)cc(c2OC)Cl)sc2c1CCC2	CoCoCo_75983	351.25	RJWRJDHRXFWRIP-ZBKNUEDVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099599
O=c1n(nc2n1CCC2)CC(COS(=O)(=O)C(F)(F)F)(F)F	SCHEMBL3602001,PC-id_57927471	351.25	KHXYKITZCHAHSG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099600
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015348,MCULE-5368821112	351.257	MWARPGUUINRCJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099601
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015860,MCULE-7759488640	351.257	QFHTYOPMRFENSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099602
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016113,MCULE-7172103304	351.257	OPAXEVVIFCSZLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099603
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016373,MCULE-5836197844	351.257	LSQAXSLMYGYNQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099604
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015604,MCULE-3280365628	351.257	YIRLVCBQHDATHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099605
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1CBr	MCULE-1976305009,EMOLS-id_331015857	351.257	KVGKXRYQLAYWBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099606
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016371,MCULE-6404054820	351.257	PHBUFBRRIYQEBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099607
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016627,MCULE-7218403231	351.257	PVXQDGCBWOUPAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099608
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1CBr	MCULE-1424797443,EMOLS-id_331016117	351.257	KMKONTDPTKQKCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099609
Brc1cc(C(=O)c2sc3CCCc3c2)c(OC)cc1C	PC-id_65438377	351.258	ZDNITGLBNDYWMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099610
Brc1cc(C(=O)c2sc3CCCc3c2)c(OCC)cc1	PC-id_43463860	351.258	GARQQCOJKIDSLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099611
Brc1c(C(=O)c2sc3CCCc3c2)ccc(OCC)c1	PC-id_80280128	351.258	WLNYASGWFKGSPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099612
CCOc1ccc(cc1Br)C(=O)c1sc2c(c1)CCC2	PC-id_104656911	351.258	DBLYGMGGHLSFAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099613
COc1ccc(cc1Br)CC(=O)c1sc2c(c1)CCC2	PC-id_114964713	351.258	QYORFTDHTZBTOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099614
COc1ccc(cc1CC(=O)c1sc2c(c1)CCC2)Br	PC-id_114964595	351.258	UJKGYFATHIUTJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099615
COc1ccc(c(c1)CC(=O)c1sc2c(c1)CCC2)Br	PC-id_114973648	351.258	VDFAXTOGKXVMON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099616
Brc1ccc(c(c1)N)N(C(=O)c1sc2c(c1)CCC2)C	PC-id_105603287	351.261	QNNVMPFJGZQHLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099617
Brc1cc(c(NC(=O)c2sc3CCCc3c2)c(N)c1)C	PC-id_43549999	351.261	UAJIZNNJQZLCPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099618
Brc1cc(C(=O)NCc2sc3CCCc3c2)ccc1N	PC-id_64320722	351.261	XZZWMUGFPDGQNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099619
Brc1cc(C(=O)NCc2sc3CCCc3c2)cc(N)c1	PC-id_81550333	351.261	AJTNYQKSSKNETG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099620
Brc1cc(C(=O)NCc2sc3CCCc3c2)c(N)cc1	PC-id_81679222	351.261	VDMLHKZDHLWWOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099621
Brc1cc(N)c(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_79722800	351.261	SDGNLUZKFCKYCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099622
Brc1cc(NC(=O)c2sc3c(c2)CCC3)c(c(c1)C)N	PC-id_120343432	351.261	DXJFUXQUEQITFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099623
Brc1c(C(=O)NCc2sc3CCCc3c2)cc(N)cc1	PC-id_61944094	351.261	ANSSBLFYZOEBFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099624
Brc1c(N)cc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61206635	351.261	XSAQNANSUHNGSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099625
Cc1cc(N)c(c(c1)Br)NC(=O)c1sc2c(c1)CCC2	PC-id_116813511	351.261	ARUSIGLVOIPCDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099626
O=C(c1cccc(c1Br)N)NCc1sc2c(c1)CCC2	PC-id_104027890	351.261	ZKIQJKOCJIQJOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099627
O=C(c1sc2c(c1)CCC2)Nc1cc(N)c(cc1Br)C	PC-id_104814452	351.261	MXOZUBQIBWJWDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099628
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(F)(F)F)C(=O)OC	EMOLS-id_603923,SCHEMBL4157162,MCULE-8899248375,TIMTEC21669,STOCK2S-63589,PC-id_2789252,ChEMBL-DNDi_CHEMBL2798-0865,SPECS-id_AT-225/NB60109	351.298	NUMQAMDELRTYRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099629
COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_4038556,PC-id_7081674,CoCoCo_187509	351.298	NUMQAMDELRTYRM-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099630
COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1[C@H](C(=O)OC)CC2	ZINC22_4038558,CoCoCo_187510,PC-id_7081673	351.298	NUMQAMDELRTYRM-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099631
BrC(c1sc2c(CCC2)c1)c1ccc(CCOC)cc1	PC-id_63438030	351.301	CLMSEKQRBKJGOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099632
BrC(c1sc2c(CCC2)c1)c1cc(c(OC)c(c1)C)C	PC-id_83067853	351.301	VWTUVIQFBAVURR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099633
BrC(c1sc2c(CCC2)c1)c1ccc(OC(C)C)cc1	PC-id_63441391	351.301	YIJMNLXJLCYOBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099634
BrC(c1sc2c(CCC2)c1)c1c(OCC)ccc(c1)C	PC-id_63447965	351.301	HGAPTWVFKNKNLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099635
Brc1c(cc([C@@H](NCC)c2sc3CCCc3n2)cc1)C	PC-id_66479805	351.304	KYXLIYXVUMJYJZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099636
Brc1c(cc(C(NCC)c2sc3CCCc3n2)cc1)C	PC-id_66479607	351.304	KYXLIYXVUMJYJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099637
Brc1ccc(C(NCCC)c2sc3CCCc3n2)cc1	PC-id_61333228	351.304	NJQIWWSEVCSMRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099638
Brc1ccc(C(NC(C)C)c2sc3CCCc3n2)cc1	PC-id_61335235	351.304	MTGAEPJMECGLMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099639
Brc1cc(C(NCCC)c2sc3CCCc3n2)ccc1	PC-id_61333421	351.304	LOEWYYVWMSDMLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099640
Brc1cc(C(NC(C)C)c2sc3CCCc3n2)ccc1	PC-id_61335434	351.304	JQIPOESVNGQNGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099641
Brc1c(C(NCC)c2sc3CCCc3n2)ccc(c1)C	PC-id_81793428	351.304	OFZVFFXHXAMZIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099642
Brc1c(C(NCCC)c2sc3CCCc3n2)cccc1	PC-id_61334205	351.304	FJUQWRWHBRGYGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099643
Brc1c(C(NC(C)C)c2sc3CCCc3n2)cccc1	PC-id_61336207	351.304	CSVODJYRRANJQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099644
CCNC(c1ccc(c(c1)Br)C)c1sc2c(n1)CCC2	PC-id_105402353	351.304	WLDLDIZOUCBMSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099645
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cn1)Br	PC-id_105036482	351.304	ZFPWLTMQVZKIAT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099646
CCNC(c1sc2c(c1)CCC2)Cc1cncc(c1)Br	PC-id_105036991	351.304	SYGGPPFWKFNPLW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099647
CNC(c1sc2c(n1)CCC2)(Cc1ccc(cc1)Br)C	PC-id_105545898	351.304	OPOUPZWESXZDST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099648
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331019427,MCULE-1234871591	351.304	SLKOQIVIIKUBHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099649
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Br	MCULE-5275011417,EMOLS-id_331021728	351.304	DSESOPCARLGIJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099650
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2)C(=O)C)n1	CHEMBL1512048,PC-id_1129739,EMOLS-id_1359667,BAS-01939634,ZINC22_869811,MCULE-7071347547,CoCoCo_224963	351.323	MQNGFPRUGPUHIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099651
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cccc(C(=O)C)c2)n1	PC-id_1129764,CHEMBL1553995,CoCoCo_225004,EMOLS-id_1359747,BAS-01939681,TIMTEC70940,ZINC22_869838,MCULE-3375264222	351.323	BCYIUMPCEUVOMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099652
C#C/C=Cc1c(C)nc2n1C[C@H](O2)COC1CC=C(N=C1)C(F)(F)F	PC-id_143895034	351.323	BCTZMHFGMMCKRJ-NQDDJQMCSA-N	00000010100011000001000010000000000000000000000000000000	25-01-099653
O=C(N)c1c(n(nc1)c1ncccn1)N/N=C/1c2n(N=C1C)c(nn2)C	PC-id_58090620	351.326	LZNBCCHNAXEKDD-JMIUGGIZSA-N	00000011100000100001100010000000000000000000000000000000	25-01-099654
O=C(N)c1c(n(nc1)c1ncccn1)NN=C1c2n(N=C1C)c(nn2)C	PC-id_70642059	351.326	LZNBCCHNAXEKDD-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-099655
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1CC(C2)(C)C#N	SCHEMBL19729839	351.33	JMCOYSGAQJAAHC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-099656
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1CC(C2)(C)[N+]#[C-]	PC-id_140845414	351.33	HCFBDSSRBKHIRH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-099657
O(c1cn(Cc2n3CCCc3nn2)cc(c1=O)C(=O)[O-])c1ccccc1	PC-id_52387839	351.336	LWQGVPCPIJLJSI-UHFFFAOYSA-M	00000010100000111001000010000000000000000000000000000000	25-01-099658
S1CCn2c1nnc2NC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1	PC-id_44007663	351.338	UXIZZDMTQFNOEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099659
N#Cc1c(NC(=O)Nc2ccccc2C(F)(F)F)sc2c1CCC2	PC-id_35280011,CoCoCo_6400585	351.346	MGNXZPGEKLOGCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099660
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cocn1	MCULE-7367042504	351.359	XQXGSKFFPYPQMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099661
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cocn1	EMOLS-id_316320564,MCULE-8421527103	351.359	XQXGSKFFPYPQMC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099662
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1occc1C)Nc1ccccc1	PC-id_68441846,SCHEMBL2922112	351.359	SEJULUOCITWZSC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099663
O=C(Nc1ccccc1C(=O)NCc1nnc2n1CCC2)c1ccco1	ZINC22_24444366,PC-id_31821379,MCULE-7552623166,EMOLS-id_29593136,CoCoCo_4560466	351.359	MADPISIVTZAGGU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099664
O=C(NCc1nnc2n1CCC2)c1ccc(NC(=O)c2ccco2)cc1	ZINC22_32873622,CoCoCo_4474383,MCULE-3006596139,PC-id_40108042,EMOLS-id_24466066	351.359	DXHHHXPZJGSNLN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-099665
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(c1)C(F)(F)F)C	MCULE-5302963860,EMOLS-id_331020474	351.366	NLGKLFFMELNBIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099666
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1c(C)ccc(c1)C(F)(F)F	MCULE-6160239450,EMOLS-id_331020730	351.366	KANJFNMSAUQAND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099667
FC(F)(F)c1cc(CC2(n3c(N(C2=O)CC(C)C)ncc3)C)ccc1	PC-id_74222072	351.366	PCARNXZYCFIJGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099668
c12CCCc1c(C(=O)OCC)c(NC(=O)c1cc(ccc1F)F)s2	MCULE-8425198230,EMOLS-id_25509964,PC-id_46094974	351.368	RPARKOQIKBYZSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099669
c12CCCc1c(C(=O)OCC)c(NC(=O)c1ccc(F)cc1F)s2	EMOLS-id_25508214,PC-id_46094728,MCULE-6662334861	351.368	VBIILFOYSZJUBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099670
c1(NC(=O)c2c(cccc2F)F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_3065126,PC-id_1183986,MCULE-1682625214,ZINC22_944320,CoCoCo_1706083	351.368	ZLQNZCVNOVRWKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099671
c1(NC(=O)c2cc(F)cc(F)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_6762649,ZINC22_707415,MCULE-9782631238,PC-id_1036913,ChEMBL-DNDi_CHEMBL8008-8797	351.368	FFIIFXUZMAZBLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099672
CCOC(=O)c1c2c(CCC2)sc1NC(=O)c1cc(F)c(F)cc1	MCULE-2379209531,ZINC22_3267805,PC-id_2384138,CoCoCo_3780701,EMOLS-id_3065146	351.368	GEZMIIICMZIXIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099673
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc(F)c(F)cc1)C	PC-id_78674843	351.368	RESIMBWGYATHHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099674
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(F)cccc1F)C	PC-id_78674842	351.368	IGWRLZDUAYACBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099675
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(F)ccc(F)c1)C	PC-id_78674835	351.368	LKVMHGWXRJSZFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099676
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(F)cc(F)cc1)C	PC-id_78674834	351.368	INCYCSCHQDZZCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099677
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(F)c(F)cc1)C	PC-id_8359197	351.368	RESIMBWGYATHHZ-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-099678
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(F)c(F)cc1)C	PC-id_8359200	351.368	RESIMBWGYATHHZ-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099679
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(F)cccc1F)C	PC-id_8359193	351.368	IGWRLZDUAYACBA-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-099680
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(F)cccc1F)C	PC-id_8359195	351.368	IGWRLZDUAYACBA-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099681
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(F)ccc(F)c1)C	PC-id_8359165	351.368	LKVMHGWXRJSZFK-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-099682
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(F)ccc(F)c1)C	PC-id_8359166	351.368	LKVMHGWXRJSZFK-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099683
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(F)cc(F)cc1)C	PC-id_8359162	351.368	INCYCSCHQDZZCF-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-099684
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(F)cc(F)cc1)C	PC-id_8359164	351.368	INCYCSCHQDZZCF-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099685
O=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc2c(s1)CCC2	MCULE-6349825495,ZINC22_25769302,EMOLS-id_48771011,PC-id_33041008	351.371	BIQFNYKFNUYLCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099686
Fc1c(c2c(C(=O)N3Cc4n(ncc4C3)CCO)cccc2)cccc1	PC-id_56746536	351.374	IAPJLGAGUSJMGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099687
c1(c2CCCc2n[nH]1)C(=O)N1Cc2c(n(nc2)Cc2ccc(cc2)F)C1	PC-id_119063746,EMOLS-id_82713765,ZINC22_426473758,MCULE-1068962111	351.378	YRSSOHKJGIBPAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099688
Cc1ccc(cc1)S(=O)(=O)OCC1Cn2c(O1)nc(c2C)C(=O)N	PC-id_140261627	351.378	UCABTEPHGOGAMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099689
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1Cn2c(O1)nc(c2C)C(=O)N	PC-id_140261632	351.378	UCABTEPHGOGAMG-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-099690
COc1cccc(c1)C(C(=O)O)NS(=O)(=O)c1cnc2n1CCC2	PC-id_146128041	351.378	REQHPNRSPJDTFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099691
COc1cccc([C@H](NS(=O)(=O)c2cnc3n2CCC3)C(=O)O)c1	ZINC22_547882918	351.378	REQHPNRSPJDTFG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099692
COc1cccc([C@@H](NS(=O)(=O)c2cnc3n2CCC3)C(=O)O)c1	ZINC22_547882921	351.378	REQHPNRSPJDTFG-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099693
COc1cccc(CNC(=O)c2nc3CN(Cc3o2)S(=O)(=O)C)c1	ZINC22_96147317,PC-id_97442841,EMOLS-id_44304418	351.378	GEFNJROQFPHJKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099694
s1c2CCCc2cc1C(=O)OCC(=O)C1C(N(C(=O)NC1=O)C)N	PC-id_78528495	351.378	JARHAAMQXMZIHC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099695
S1Cc2c(noc2NC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1	PC-id_49720618	351.378	HBJJHOZTKJUKQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099696
c1(NC(=O)c2cc(on2)c2ccc(cc2)O)sc2c(CCC2)c1C#N	EMOLS-id_15969924,TIMTEC361547,MCULE-2956653534,PC-id_135573159,ChEMBL-DNDi_CHEMBLC226-0665,ZINC22_3907806	351.379	OOZLOPXCDZODTJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099697
c1(NC(=O)c2noc(c3ccccc3O)c2)sc2c(CCC2)c1C#N	TIMTEC303866,ZINC22_2465686,MCULE-7856836961,PC-id_135573214,EMOLS-id_15971396	351.379	MCVFRJOVZVITNY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099698
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1ccccc1	MCULE-6738301100	351.379	TULQHZALHYAHLK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099699
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1ccccc1	MCULE-7973209327	351.379	YLARQDSKXXCFFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099700
n12nc(nc1sc(=Cc1ccco1)c2=O)C=Cc1ccc(cc1)OC	MCULE-2339891434	351.379	MWLVCJCZOAUEPJ-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-099701
Oc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324842224	351.379	TULQHZALHYAHLK-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099702
Oc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324842227	351.379	YLARQDSKXXCFFU-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099703
s1c2CCCc2c(c1NC(=O)C1=C/C(=C/2C=CC(=O)C=C2)/ON1)C#N	PC-id_17252822	351.379	UMKMWNNDLZZZNH-UHFFFAOYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-099704
s1c2CCCc2c(c1NC(=O)C1=C/C(=C/2C(=O)C=CC=C2)/ON1)C#N	PC-id_17253192	351.379	RBVZCUBTFGKTKT-RVDMUPIBSA-N	00000011100011000001100010000000000000000000000000000000	25-01-099705
s1c2CCCc2c(c1NC(=O)C1=CC(=C2C(=O)C=CC=C2)ON1)C#N	PC-id_40420808	351.379	RBVZCUBTFGKTKT-UHFFFAOYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-099706
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)C#N)C#N	PC-id_8018331	351.379	PGQYHTSNNSVTFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099707
S(=O)(=O)(c1cc([N+](=O)[O-])c(NCCc2n3CCCc3nn2)cc1)C	PC-id_78835659	351.381	NSLQGVJSZAKXLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099708
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(ccc([N+](=O)[O-])c1)C	PC-id_16962864	351.381	XAOSZXZQWANEEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099709
FC(C1CCCC(C1)CNS(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_100233457	351.388	DGQITJBLFIIRFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099710
c1(C(F)F)c2CCCc2n(CC(=O)NCc2n[nH]c(C(C)(C)C)c2)n1	MCULE-1109202418,EMOLS-id_8867597,ZINC22_36614023,PC-id_19591046,TIMTEC575893	351.394	YOBZNDWYVWMAJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099711
CCOC(=O)C1(Cc2c(C1)cn(c2)C(=O)OC(C)(C)C)C(=O)OCC	SCHEMBL7822746,PC-id_15814434	351.394	OCSOUXUXOAZAAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099712
c1(NC(=O)c2ccccc2F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_4982159,EMOLS-id_5438321,MCULE-1393569150,ZINC22_4088599,PC-id_3634270,ChEMBL-DNDi_CHEMBLF0541-0032	351.396	VRCWSAIMWUSORC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099713
c1(NC(=O)c2cccc(F)c2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_16383062,PC-id_3634271,MCULE-6579244644,CoCoCo_2666481,ChEMBL-DNDi_CHEMBLF0541-0033	351.396	MKUCMENQNJXWEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099714
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)F)n(C)nc2CCCc12	ZINC22_38510616,PC-id_45536327,MCULE-9611935015,EMOLS-id_43484295	351.396	AODDWSWIISTJHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099715
Fc1ccc(cc1)C1COCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101315544	351.396	VXSNAQPBKUUJTJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099716
Fc1ccc(cc1)C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199130	351.396	DRUSFPHYSFWOLG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099717
Fc1ccccc1C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100222171	351.396	GENXLGFQSJXWIY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099718
Fc1cccc(c1)C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100222174	351.396	JJNUIYIPOZUDJS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099719
Fc1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_3634272,ChEMBL-DNDi_CHEMBLF0541-0034,CoCoCo_4982160	351.396	HHKCXGGHHIZNRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099720
Cc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)ccc1F	EMOLS-id_324833531	351.397	BYGGFEMTRGHNON-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099721
Cc1ccccc1/C=c/1sc2nc(Cc3ccc(F)cc3)nn2c1=O	EMOLS-id_324837117	351.397	PYXHHOUMRBUEMT-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099722
Cc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324834556	351.397	SQJIHXDTKQYJAI-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099723
Cc1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324836093	351.397	WAYGHFMOGWKJDK-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099724
CCOC(=O)C1=C(NC(C)(C)C)n2n(C1C(=O)OCC)c(=O)cc2C	PC-id_102210613	351.397	FMOKHZFSKCNJBQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099725
Fc1ccccc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324840183	351.397	YGPOOXRAIXNZDK-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099726
Fc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324839159	351.397	IHFIIODUFDDNGS-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099727
Fc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324841209	351.397	UPKHGKLLDHYXJS-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099728
n12nc(nc1sc(=Cc1ccccc1C)c2=O)Cc1ccc(F)cc1	MCULE-1143033943	351.397	PYXHHOUMRBUEMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099729
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)Cc1ccc(F)cc1	MCULE-7435503615	351.397	SQJIHXDTKQYJAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099730
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CCc1ccccc1	MCULE-2259867720	351.397	IHFIIODUFDDNGS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099731
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCc1ccccc1	MCULE-3606431035	351.397	YGPOOXRAIXNZDK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099732
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)Cc1ccc(F)cc1	MCULE-9007223304	351.397	WAYGHFMOGWKJDK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099733
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCc1ccccc1	MCULE-1352493944	351.397	UPKHGKLLDHYXJS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099734
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)Cc1ccccc1	MCULE-1140240738	351.397	BYGGFEMTRGHNON-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-099735
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)[O-])C(=O)[O-]	PC-id_28866088	351.397	RSZWYLANKNCJTK-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-099736
Fc1ccc(nc1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100221559	351.399	XECONCLOFVKROQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-099737
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCC(=O)NC1=O	EMOLS-id_328213880,MCULE-5587707159	351.399	LMFGJCUBLDSFIC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099738
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CC(=O)O)CCC#N	MCULE-9495651235,EMOLS-id_328338845	351.399	RYLPLVJNXMUEGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099739
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)/C=C/c1ccco1	PC-id_117054873	351.399	VOOHOEUVMZNVDH-MDZDMXLPSA-N	00000010101000000001000010000000000000000000000000000000	25-01-099740
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C=Cc1ccco1	PC-id_92109275	351.399	VOOHOEUVMZNVDH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-099741
CC1C2C(C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)O)C(C)O	PC-id_90661957	351.401	MRMBZHPJVKCOMA-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099742
CC1[C@@H]2C(C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)O)C(C)O	PC-id_137795493	351.401	MRMBZHPJVKCOMA-IJVGGVBKSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099743
C[C@@H]1C(=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12)SC1Cn2cnc[n+]2C1	ZINC22_13828161	351.401	MRMBZHPJVKCOMA-SCVMZPAESA-O	00001011100000000001001010000000000000000000000000000000	25-01-099744
C[C@@H]1C(=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)O)[C@@H]12)SC1Cn2cnc[n+]2C1	ZINC22_253380241	351.401	MRMBZHPJVKCOMA-MPKXCIJOSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099745
C[C@H]1C(=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)O)[C@@H]12)SC1Cn2cnc[n+]2C1	ZINC22_6468478	351.401	MRMBZHPJVKCOMA-DEKFOEGESA-O	00001011100000000001001010000000000000000000000000000000	25-01-099746
C[C@H]([C@H]1C(=O)N2[C@@H]1C(C)C(=C2C(=O)O)SC1C[n+]2n(C1)cnc2)O	PC-id_122172879	351.401	MRMBZHPJVKCOMA-QGPDOHACSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099747
C[C@H]([C@H]1C(=O)N2[C@H]1[C@H](C)C(=C2C(=O)O)SC1C[n+]2n(C1)cnc2)O	PC-id_67532561,SCHEMBL2781773	351.401	MRMBZHPJVKCOMA-URPMGSGRSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099748
C[C@H](O)[C@@H]1C(=O)N2C(=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@@H]12)C(=O)O	ZINC22_11615955	351.401	MRMBZHPJVKCOMA-IFFSRLJSSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099749
C[C@H](O)[C@H]1C(=O)N2C(=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12)C(=O)O	ZINC22_21985877,PC-id_29922416	351.401	MRMBZHPJVKCOMA-JZSSXWJLSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099750
C[C@H](O)[C@@H]1C(=O)N2C(=C(SC3Cn4cnc[n+]4C3)[C@@H](C)[C@@H]12)C(=O)O	ZINC22_253380242	351.401	MRMBZHPJVKCOMA-UUTMEEIUSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099751
C[C@H](O)[C@@H]1C(=O)N2C(=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12)C(=O)O	ZINC22_95845640,PC-id_97298414	351.401	MRMBZHPJVKCOMA-YKDSUIRESA-O	00001011100000000001001010000000000000000000000000000000	25-01-099752
CCOC(=O)n1nc2c(c1NC(=O)C1OCCN(C1)C)CNC2(C)C	SCHEMBL12879116,PC-id_58015702	351.401	LLJPQEIIBJSSIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099753
COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CCC2	GD-id_ZINC28843105	351.401	XAORTQCEEHNFCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099754
O1C(CCN2CCN(C(C)(C)C)C(=O)C2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081214,SCHEMBL5547674	351.401	ILLGNGUMGKSBAR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099755
O=C(N1CCC(CC1)CN1CCn2c1c(cn2)[N+](=O)[O-])OC(C)(C)C	SCHEMBL12210118,PC-id_58464897	351.401	IKQUGUOLDXSMNQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099756
O=C(NC(c1nnc2n1CCC2)C)OC1CN(C1)C(=O)OC(C)(C)C	EMOLS-id_316556755	351.401	QGIRSHDJKRXCMX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-099757
s1c2c(CCC2)c(c1NC(=O)c1sc([N+](=O)[O-])cc1)C(=O)NC	PC-id_7474992	351.401	VUSOQTDEAQNXAT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-099758
S(C1=C(N2C(C(C2=O)[C@H](O)C)[C@H]1C)C(=O)O)C1C[n+]2n(C1)cnc2	PC-id_9798490	351.401	MRMBZHPJVKCOMA-YJTAMFCSSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099759
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1C[n+]2n(ncc2)C1	PC-id_75241547	351.401	RLAPFAKXSAUMLW-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099760
S(C1=C(N2C([C@H](C2=O)[C@H](O)C)[C@@H]1C)C(=O)O)C1C[n+]2n(C1)cnc2	PC-id_16760206	351.401	MRMBZHPJVKCOMA-MTKZOQNTSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099761
S(C1=C(N2[C@@H](C(C2=O)[C@H](O)C)[C@H]1C)C(=O)O)C1C[n+]2n(C1)cnc2	PC-id_9819793	351.401	MRMBZHPJVKCOMA-ZUCSDGAKSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099762
S(C1=C(N2[C@@H]([C@H](C2=O)C(O)C)C1C)C(=O)O)[C@H]1C[n+]2n(C1)cnc2	PC-id_42646740	351.401	MRMBZHPJVKCOMA-PKRIEVTBSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099763
S(C1=C(N2[C@@H]([C@H](C2=O)C(O)C)[C@H]1C)C(=O)O)C1C[n+]2n(C1)cnc2	PC-id_45357476	351.401	MRMBZHPJVKCOMA-WAOAVRLKSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099764
S(C1=C(N2[C@@H]([C@@H](C2=O)C(O)C)[C@H]1C)C(=O)O)C1C[n+]2n(C1)cnc2	PC-id_56971645	351.401	MRMBZHPJVKCOMA-WCAPDBQVSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099765
S(C1=C(N2[C@@H]([C@H](C2=O)C(O)C)[C@H]1C)C(=O)O)C1C[n+]2n(ncc2)C1	PC-id_46930985	351.401	RLAPFAKXSAUMLW-LRPJUKONSA-O	00001011100000000001001010000000000000000000000000000000	25-01-099766
c1(CN(C)c2ccnc(c2)C(=O)NCc2ccco2)c2CCCc2[nH]n1	PC-id_56874361,EMOLS-id_43196455,MCULE-1233475604,ZINC22_71753928	351.402	OSWUWSGTFDQAFW-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-099767
c1(c[nH]nc1c1cccc(OC)c1)C(=O)N(C)Cc1[nH]nc2CCCc12	PC-id_50980094,MCULE-3174552609,ZINC22_67934222,EMOLS-id_32428540	351.402	JYTWKMONNGMIKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099768
c1(C(=O)N(C)Cc2cnn(c3cccc(OC)c3)c2)c2CCCc2[nH]n1	MCULE-7740811436,EMOLS-id_43103897,ZINC22_72423818,PC-id_56893465	351.402	PZILCTTZLHMPDC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099769
Cc1ccc(C)c(N2N=C(C(=O)N=c3cc4n([nH]3)CCC4)CCC2=O)c1	MCULE-2696003995,EMOLS-id_324065647,ZINC22_1875274532,PC-id_146105915	351.402	GNJDQVACZDDGLJ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-099770
Cc1ccc(CN2Cc3[nH]nc(C(=O)N(C)Cc4ccccn4)c3C2)o1	EMOLS-id_44325335,ZINC22_96187528,PC-id_97461986	351.402	VKTJEJCBGNVTFF-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-099771
Cc1ncc(nc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109554	351.402	QPFGQVUDJHZUNY-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-099772
Cc1oc(c2ccccc2)nc1CC(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1772712642	351.402	XLKOTABHVBITBF-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099773
Cc1oc(c2ccccc2)nc1CC(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1772712643	351.402	XLKOTABHVBITBF-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099774
Cc1oc(nc1CC(=O)NCC1Cc2nnc(C)n2C1)c1ccccc1	EMOLS-id_317475499,PC-id_137340662,MCULE-4003970071	351.402	XLKOTABHVBITBF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099775
CN(C(=O)c1nn(c2c1CN(C2)Cc1ccco1)C)Cc1ccccn1	PC-id_97389074	351.402	IGTGCBGOFHVAIR-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-099776
COc1ccc(cc1)Oc1nccc(c1)CNC1CC(n2c1ncn2)C	EMOLS-id_279081973	351.402	TXMGAVDXEBYDOY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-099777
COc1cccc(c1)Oc1ncccc1CNC1CC(n2c1ncn2)C	MCULE-6313411408,EMOLS-id_258182457	351.402	PNDIPXKTPGLUPN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-099778
COc1ccc(C)cc1n1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1	EMOLS-id_33363767,ZINC22_58417397,PC-id_51127312,MCULE-1701486103	351.402	WALBTZPSMYXKRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099779
O=C1N(CCC1)c1ccc(cc1)C=CC(=O)NCc1n2CCCc2nn1	PC-id_72055512,MCULE-2261238879,EMOLS-id_26236776	351.402	LZNVZKJQEBJKKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099780
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1nnc2n1CCC2	PC-id_40143086,CoCoCo_4658163,ZINC22_32906574	351.402	LZNVZKJQEBJKKY-JXMROGBWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099781
O=C(NCc1nnc2n1CCC2)/C=Cc1ccc(cc1)N1CCCC1=O	CoCoCo_4658164	351.402	LZNVZKJQEBJKKY-YFHOEESVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099782
c1(CN(C)C(=O)Nc2cccc(c2)c2[nH]c(nn2)C)c2CCCc2[nH]n1	EMOLS-id_49163252,MCULE-1656340140,PC-id_72896757,ZINC22_96151781	351.406	MSZCYGUIIDVAIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099783
c1(n(C)nc2CCCc12)NC(=O)N1CCN(CC1)c1ncccc1C#N	PC-id_72863769,EMOLS-id_49151245,ZINC22_96138655,MCULE-3480035463	351.406	NSQMAWJCQQLQKT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-099784
c1(NC(=O)NCc2nnc3CCCn23)n(C)nc(c2ccccc2)c1C	PC-id_74233456,EMOLS-id_49645806,MCULE-1504851951,ZINC22_97347192	351.406	ABLSZMCPEDPVOO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099785
Cc1nnc(Cc2ccc(NC(=O)NCc3n[nH]c4CCCc34)cc2)[nH]1	MCULE-5572524631,EMOLS-id_48648732,ZINC22_95529991,PC-id_72935390	351.406	YKDWZQYLMWGURM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099786
CCCn1ncnc1c1cccc(c1)C(=O)NCc1nnc2CCCn12	MCULE-2140628716,ZINC22_584898619,EMOLS-id_177469574	351.406	JRALCNVIQULXGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099787
C[C@H](C(=O)Nc1ccc(NCc2cnc3n2CCC3)cc1)n1cncn1	ZINC22_657405122	351.406	BUJWCMKIKAIOSK-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099788
C[C@@H](C(=O)Nc1ccc(NCc2cnc3n2CCC3)cc1)n1cncn1	ZINC22_657405123	351.406	BUJWCMKIKAIOSK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099789
Cn1ncc(c1)CN1Cc2c(C1)[nH]nc2C(=O)N(Cc1ccccn1)C	PC-id_97389050	351.406	HBJNXENRXKRUMG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099790
Cn1ncc(c1)CNc1ccc(cc1)C(=O)NC1CC(n2c1ncn2)C	MCULE-6173405165,EMOLS-id_319991189	351.406	CGRMEIYQKFKPSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099791
CN=C(NCc1nnc2n1CCC2)NCc1ncoc1c1ccccc1	PC-id_120066393	351.406	IUAPXPFXKYGMDG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099792
n1c(CNC(=O)N2CCN(CC2)c2ncccc2C#N)c2c(CCC2)[nH]1	EMOLS-id_177446933,ZINC22_426536270,PC-id_121505566,MCULE-3305211516	351.406	KSGUOHXIGZDIDA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-099793
O=C(C(n1cncn1)C)Nc1ccc(cc1)NCc1cnc2n1CCC2	MCULE-2600332225,EMOLS-id_324025213,PC-id_146107256	351.406	BUJWCMKIKAIOSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099794
O=C(N1CCn2c1ncc2)Nc1cc(nn1c1ccccn1)C(C)(C)C	EMOLS-id_319414687	351.406	BPLPGLQYDROQKZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-099795
O=C(Nc1cc(nn1c1ccc(cc1)C)C)NCc1nnc2n1CCC2	GD-id_ZINC43787775	351.406	PTJMMIKEXTYMAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099796
O=C(N1Cc2c(C1)cn[nH]2)NCc1ccc(cn1)Sc1ccccc1	PC-id_145629096	351.425	QOQMSTADBUVWBY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-099838
n12N=C(C(C)(C)C)C(=N[N-]c3[n-]nc(C(C)(C)C)c3[N+]#[C-])c1nc(n2)C	PC-id_59702973	351.409	AQKZJKLZXMMLNP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099797
n12N=C(C(C)(C)C)C(=N[N-]c3[n-]nc(C(C)(C)C)c3[N+]#[C-])c1nnc2C	PC-id_59702974	351.409	MSOREZYXDISCGN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-099798
C1(CCCC1)(C(=O)O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328195894,MCULE-1530638435	351.417	JCXOHUAFKGZLFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099799
C1(C(=O)OCC)(C(=O)Nc2sc3CCCc3c2C(=O)OCC)CC1	EMOLS-id_328186406,MCULE-2290460340	351.417	BUZUOETXNULNMA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099800
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCC2)c1C(=O)OC	TIMTEC320110,PC-id_4617139,EMOLS-id_4029677,MCULE-4797164972	351.417	MUTNGMJUXMTKSV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099801
COC(=O)C1CCCCC1C(=O)Nc1c(c2c(s1)CCC2)C(=O)O	SCHEMBL20353834,PC-id_135200263	351.417	XZDJSNQOEXDQBT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099802
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_5819255,ZINC22_2744791,PC-id_40435114	351.417	MUTNGMJUXMTKSV-ZJUUUORDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099803
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_40435108,CoCoCo_5819256,ZINC22_2744788	351.417	MUTNGMJUXMTKSV-VHSXEESVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099804
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_40435110,ZINC22_2744789,CoCoCo_5819258	351.417	MUTNGMJUXMTKSV-NXEZZACHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099805
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_40435112,ZINC22_2744790,CoCoCo_5819257	351.417	MUTNGMJUXMTKSV-UWVGGRQHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099806
s1c2c(CCC2)c(c1NC(=O)CC1(CCCC1)C(=O)O)C(=O)OC	PC-id_45312123	351.417	XRFVLPVMYLUATK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099807
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1C(C1)C)C(=O)OCC	PC-id_24352519	351.417	KDNDDXKQQGQARJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099808
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCC1)C(=O)OCC	PC-id_7717243	351.417	UIKJZWZJMRRCPX-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-099809
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=C(C)C)C(=O)OCC	PC-id_4260993	351.417	GQWNBEVDNNZTFS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099810
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CCC)C(=O)OCC	PC-id_78750860	351.417	WPRHSRVBSWSMGX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099811
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/CC)C(=O)OCC	PC-id_8673256	351.417	WPRHSRVBSWSMGX-WEVVVXLNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099812
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1[C@@H](C1)C)C(=O)OCC	PC-id_8019584	351.417	KDNDDXKQQGQARJ-MWLCHTKSSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099813
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1[C@@H](C1)C)C(=O)OCC	PC-id_8019586	351.417	KDNDDXKQQGQARJ-KOLCDFICSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099814
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1[C@H](C1)C)C(=O)OCC	PC-id_8019589	351.417	KDNDDXKQQGQARJ-GXSJLCMTSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099815
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1[C@H](C1)C)C(=O)OCC	PC-id_8019592	351.417	KDNDDXKQQGQARJ-ONGXEEELSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099816
c1(NC(=O)CN2CCN(CC2)C(=O)C)sc2c(CCC2)c1C(=O)O	PC-id_28866170,MCULE-9556403704,EMOLS-id_179131000	351.421	WERLQJCLBITXQX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099817
s1c2c(CCC2)c(c1NC(=O)CN1CCNC(=O)C1)C(=O)OCC	PC-id_2657022	351.421	OMEBPOAWQPOXKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099818
c1(NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348410,MCULE-4008066036,PC-id_84417644	351.422	KCGAIRNWEVEKRQ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-099819
c1(NC(=O)c2cccc(Oc3ccccc3)c2)n(C)nc2CSCc12	EMOLS-id_334564798,MCULE-7342086274	351.422	YLJLYTKDVZEZFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099820
Cn1ccnc1C(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	PC-id_75401879,EMOLS-id_48206791,MCULE-2492244890,ZINC22_60642003	351.422	OQQOKOMJOBGSGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099821
C(=O)(NCc1ccccc1)C=CC(=O)Nc1sc2CCCc2c1C#N	MCULE-6489126409	351.422	FTBNAOPOTJGEIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099822
O=C(NCc1ccccc1)/C=CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328260247	351.422	FTBNAOPOTJGEIG-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099823
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(n2cccc2)cc1	PC-id_26771287	351.422	BPPKAXNZOBESGP-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-099824
s1c2CCCc2cc1C(=O)NNC(=O)c1c(n2cccc2)cccc1	PC-id_9032171	351.422	MDNHPWQRVGNHFY-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-099825
s1c2CCCc2nc1NC(=O)c1cc(OCc2cccnc2)ccc1	PC-id_52202226	351.422	KURJCBNRYZAAPT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-099826
S1Cc2c(noc2NC(=O)NC(c2ccccc2)c2ccccc2)C1	PC-id_49720626	351.422	BYGFIURJFPJZRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099827
Cc1onc(c1)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173986	351.424	WXXJDZDYJIDUFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099828
Cc1onc(n1)C1(CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100182258	351.424	PEBHRDUOSHASMD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099829
CC(C)(C)c1nn(c(c1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_112057245,PC-id_136535371	351.424	BQQLJADLGRXETG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099830
Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_316113978,MCULE-1531956453,ZINC22_659997346	351.424	CCHPGWOXFZZZQK-SMDDNHRTSA-N	00000010100000000001100010000000000000000000000000000000	25-01-099831
Cn1nc(cc1NS(=O)(=O)c1cnc2n1CCC2)C1CCCOC1	EMOLS-id_101238269	351.424	LTMKDZCEJYHTQP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-099832
O=C(c1cn(nc1C)C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389654	351.424	IOVOUNFWDJGVOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099833
O=C(C(c1c(C)nn(c1C)C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110435711	351.424	GGTHZAITEUPTOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099834
O=S(=O)(c1cnc2n1CCC2)Nc1nnc(o1)CC1CCCCC1	EMOLS-id_101155520	351.424	GANDUESXJVQQNB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099835
c1(NC(=O)c2cnc(nc2c2ccccc2)C)n(C)nc2CSCc12	ZINC22_1529182647,PC-id_134709612,MCULE-2228984911,EMOLS-id_316186101	351.425	XQQSPFOKCKGCPB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099836
n1c2CCCc2sc1CCNC(=O)c1cnc(nc1)c1cccnc1	EMOLS-id_32419526,PC-id_50975319,MCULE-3304042191,ZINC22_65462155	351.425	FYYNBCKXDMSIDJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-099837
O=C(NCc1nnc2n1CCC2)c1ccc(Sc2ccccn2)cc1	ZINC22_58297294,MCULE-3837081520,EMOLS-id_32147099,PC-id_51129721	351.425	CGRGPGLVMJAKGS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-099839
Cc1nsnc1/C(=C/N=S=N)/c1cc2c(s1)C(=O)N(C2=O)C	PC-id_135273151,SCHEMBL20436916	351.427	ZRVPZADRXMVVQE-QPJJXVBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099840
CN(C)[C@@H]1CN(S(=O)(=O)c2cnc3n2CCC3)C[C@@H]1n1ccnn1	MCULE-8338467090,EMOLS-id_316106821,ZINC22_888094192	351.427	DSEUPYKTLCOAFK-NEPJUHHUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-099841
C=Cc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OCCC(C)C	SCHEMBL10817290,PC-id_70450407	351.439	YVLAGOWJMBYSPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099842
CCCCc1cc2n(c1C(=O)c1ccccc1)CC=C2C(=O)OC(C)C	PC-id_70619174,SCHEMBL11602871	351.439	CINKBLJRBPCHMO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-099843
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2C(=O)OC	PC-id_20253964,SCHEMBL10817264	351.439	JYWHYTYCRXIRIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099844
CCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	PC-id_20253930,SCHEMBL10816627	351.439	BNBWSKIQCZXLDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099845
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_145726935,SCHEMBL12470009,PC-id_68278813	351.44	MLJYQBNMUFMYIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099846
CCOC(=O)c1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C	PC-id_139917109	351.44	XVDGZPTZBVFTAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099847
COC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_27831781,PC-id_3882041,CoCoCo_6384240	351.44	MTURHZUFVAQXRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099848
O=C(OCCNS(=O)(=O)c1ccccc1)c1cc2c(s1)CCC2	MCULE-3561236180,PC-id_48229632,ZINC22_63881043,EMOLS-id_44551548	351.44	BVMYZEQYSYNOPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099849
CC(=O)N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6947191682,EMOLS-id_328339097	351.442	QMXHRYNNXYITFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-099850
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC(CC1)C(=O)N	MCULE-4148151901,EMOLS-id_328341395	351.442	RTLNHGFETJXRKZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099851
O=C(c1ccccc1)CC1CCCCCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_100807931	351.442	UTAWTHOLHISALD-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-099852
c1ccc(cc1)C(N1CCn2c1ccn2)(c1ccccc1)c1ccccc1	PC-id_141059805	351.444	RKOPAYGEXGMBET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099853
c1(NC(=O)CSc2nccn2C)sc2c(CCC2)c1C(=O)OC	ZINC22_14067059,EMOLS-id_5034355,CoCoCo_6964486,MCULE-7230840702,PC-id_19727768,SPECS-id_AO-476/43415528	351.444	VDVUJKXNIWSNJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099854
Cc1ccc(cc1)S(=O)(=O)NCC(=O)Nc1nc2CCCc2s1	MCULE-5563084309,EMOLS-id_334661338	351.444	ZNTBNKOKPPJNTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099855
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)CNC2	PC-id_144742159	351.444	TYMYIBVZQFJZBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099856
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1sc2c(n1)CNC2	PC-id_144742138	351.444	JWXPHHPJZMTJEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099857
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2CCCc2s1	PC-id_24245312,ZINC22_15636533,EMOLS-id_17203965,CoCoCo_4164118,MCULE-7480376118	351.444	ZTUDKJUISLSGFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099858
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	EMOLS-id_24133402,CoCoCo_4164018,PC-id_25675722,ZINC22_13021675,MCULE-4010803557	351.444	YDSBBOUTMBWHNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099859
COCCNC(=O)c1cnc2CCC(CNC(=O)CN(C)C(C)C)n12	EMOLS-id_313765056	351.444	OIFVLRZFKVQVML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099860
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CN(C)C(C)C)CC2	ZINC22_1565551300	351.444	OIFVLRZFKVQVML-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099861
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CN(C)C(C)C)CC2	ZINC22_1614936797	351.444	OIFVLRZFKVQVML-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099862
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)NCCc1ccccn1	PC-id_97524520	351.444	AEZNQTDUOIJDNS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099863
O=C(c1cc2c(s1)CCN2S(=O)(=O)C)NCCc1cccnc1	PC-id_97524512	351.444	CPMFTYAIOXYRNF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-099864
O=C(CCNS(=O)(=O)c1ccccc1)Nc1nc2c(s1)CCC2	ZINC22_25767583,MCULE-8318039337,CoCoCo_4164207,EMOLS-id_29970212,PC-id_33039245	351.444	JMXXFTQGXCRYQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099865
s1c2c(CCC2)c(c1NC(=O)Cn1ccsc1=N)C(=O)OCC	PC-id_5139238	351.444	DELNVXDOXAOAHB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099866
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)C)C(=O)N	PC-id_2460059	351.444	YYURPOMEGNPTFC-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-099867
s1c2CCCc2c(c1NC(=S)NC(=O)CCC(=O)OCC)C#N	PC-id_4955510	351.444	KRCHYOUJJRXUGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099868
c1(CN(C)Cc2c3CCCc3[nH]n2)c(C)n(n(c2ccccc2)c1=O)C	MCULE-2729808275,EMOLS-id_49651752,ZINC22_97495325,PC-id_74236391	351.445	LXMDSPCIKZCNBA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099869
c1(CN(C)Cc2ccc(c(Cn3cccn3)c2)OC)c2CCCc2[nH]n1	PC-id_74242372,ZINC22_97636706,EMOLS-id_49663932,MCULE-2284081579	351.445	SDDQRTJWAQXMTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099870
Cc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	EMOLS-id_45970258,ZINC22_27021948	351.445	BFQBFBZGUGPDJH-NOCYUORASA-N	00000000100100110001000010000000000000000000000000000000	25-01-099871
Cc1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_16779424	351.445	BFQBFBZGUGPDJH-QCTDOKRBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-099872
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1	EMOLS-id_324919299	351.445	QHFSASSZMJYPGG-ZWWGVYCGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-099873
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)C=Cc1cccs1	MCULE-2383153296	351.445	BFQBFBZGUGPDJH-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-099874
n12nc(nc1sc(=Cc1cccs1)c2=O)C=Cc1ccc(cc1)C	MCULE-7873963847	351.445	POHGDNJOQHEFEQ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-099875
n12nc(nc1sc(=Cc1ccsc1)c2=O)C=Cc1ccc(cc1)C	MCULE-6118021894	351.445	QHFSASSZMJYPGG-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-099876
n12nc(nc1sc(=Cc1sccc1C)c2=O)C=Cc1ccccc1	MCULE-6425523183	351.445	LBSNJSFWQJAYGK-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-099877
O=C(c1sc(c2ccccc2)nc1)Nc1c(C#N)c2c(CCC2)s1	EMOLS-id_322834618,MCULE-2181933298	351.445	HDCXHDSRZHNANV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099878
c1(NC(=O)CSc2nnc(C)n2C)sc2c(CCC2)c1C(=O)N	EMOLS-id_4029881,PC-id_5178845,CoCoCo_6798556,SCHEMBL21045542,ZINC22_7234739,MCULE-6226412219,TIMTEC152474	351.447	FPUBDHXJZPWSBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099879
CCCC(=O)N1CSCC1C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_99354484	351.447	IINHIMCEDXGPMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099880
CCNC(=NCc1nnc2n1CCC2)NCCNC(=O)OC(C)(C)C	PC-id_111020629	351.447	WVFNDCXXYUGMLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099881
CN=C(NCc1nnc2n1CCC2)NCCCNC(=O)OC(C)(C)C	PC-id_111020631	351.447	QXGBMKGRWCBNNO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099882
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)cnn1)C(=O)N	PC-id_8987871	351.447	UGCDNNJOOCBYPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099883
s1c2CCCc2c(c1NC(=O)CSC1NC(N)CC(=O)N1)C#N	PC-id_78326173	351.447	MOPDFWHSUVLVEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099884
CCOC(=O)c1c(NC(=O)C2C(C2(C)C)(C)C)sc2c1C(C)OC2	SCHEMBL2162073,PC-id_24772287	351.46	PJXBNTTZRKPAQJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-099885
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCCOC	PC-id_51530575	351.46	RWLLKBAWNCPQNM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099886
c12SCCn1cc(CNC(=O)CCSCc1ccc(cc1)F)n2	MCULE-4489269547,EMOLS-id_32223344,PC-id_50958866,ZINC22_55153604	351.462	DDTKRPHQAFMYBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099887
c1(NC(=O)CN2CCN(CC2)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_680834,PC-id_1357285,EMOLS-id_2253038,ChEMBL-DNDi_CHEMBL5681112,MCULE-6888932368,CoCoCo_680835,ZINC22_19758719	351.464	MXUOVNSVIWJCCE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099888
c1(NC(=O)CN(C)C2CCN(CC2)C)sc2c(CCC2)c1C(=O)O	PC-id_28866156,MCULE-4338429619,EMOLS-id_179130991	351.464	QXGQLOGRFYKBHJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099889
c1(sc2c(CCC2)n1)NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C	MCULE-3502523073,EMOLS-id_323440306,PC-id_33040213	351.464	JYTHJFFWENUNJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099890
CCCCS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109608	351.464	ZGDOIPQNGGFTMR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-099891
CC(C)OC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CCC2	CHEMBL4468048	351.464	YJUXXUULBYTNSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099892
CCCOC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CCC2	CHEMBL4474783	351.464	BZLKDIADSIHPGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099893
CCOC1CCN(CC1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	SYN-22932027,CoCoCo_505860,MCULE-2724805095,CoCoCo_505861,ZINC22_19715553,PC-id_46976990,EMOLS-id_30449137	351.464	GIFTZMYSFKLDJO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099894
CCOC(=O)c1c(NC(=O)CN2CCC(CC2)N)sc2c1CCC2	EMOLS-id_302724420,MCULE-5827124630,PC-id_121667916	351.464	FWIDIKZQEGFCSK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099895
CCOC(=O)c1c(NC(=O)CN2CCNCCC2)sc2c1CCC2	PC-id_121667845,MCULE-8570281958,EMOLS-id_302714948	351.464	SROCRTHLVVXHPO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-099896
CCOC(=O)c1c(NC(=O)N2CCN(CC)CC2)sc2c1CCC2	CHEMBL4447292	351.464	IZOMTDMNZSHFDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099897
COCCNC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_86909655	351.464	SYQRLCRGSAZGEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099898
COC(=O)c1c2c(CCC2)sc1NC(=O)CCN1CCN(C)CC1	EMOLS-id_300056193,ZINC22_19902547,CoCoCo_1802170,CoCoCo_1802171,MCULE-7142835220,PC-id_1186802	351.464	FYWWNBPHBMMFTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099899
s1c2CCCc2c(c1NC(=O)CCN(CCOC)CCOC)C#N	PC-id_52370883	351.464	HHIDDLUXOWKSRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099900
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@@H](O[C@@H](C1)C)C)C)C(=O)N	PC-id_9249135	351.464	DLZWDLUFQDGECU-AXFHLTTASA-N	00000010100010000001000010000000000000000000000000000000	25-01-099901
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@@H](O[C@H](C1)C)C)C)C(=O)N	PC-id_9249137	351.464	DLZWDLUFQDGECU-DCAQKATOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099902
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@H](O[C@@H](C1)C)C)C)C(=O)N	PC-id_9249139	351.464	DLZWDLUFQDGECU-MXWKQRLJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099903
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC)C(=O)OC	PC-id_22198996	351.464	MNQDYTXBVWNGIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099904
s1c2c(CCC2)c(c1NC(=O)C(N1CC(OC(C1)C)C)C)C(=O)N	PC-id_46631114	351.464	DLZWDLUFQDGECU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099905
s1c2CCCc2nc1CN1CCN(CC1)C(=O)CCC(=O)OCC	PC-id_44060425	351.464	XHPISQSHGIOKPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099906
s1c2CCCc2nc1NC(=O)C1CCCN(C1)C(=O)OC(C)(C)C	PC-id_51298822	351.464	SVLUVHAXLNVEML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099907
s1c2CCCc2nc1NC(=O)[C@@H]1CCCN(C1)C(=O)OC(C)(C)C	PC-id_33040533	351.464	SVLUVHAXLNVEML-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099908
s1c2CCCc2nc1NC(=O)[C@H]1CCCN(C1)C(=O)OC(C)(C)C	PC-id_33040535	351.464	SVLUVHAXLNVEML-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-099909
c1(NC(=O)CC(c2ccccc2)Cn2cccc2)sc2c(CCC2)n1	EMOLS-id_323427769,MCULE-2573623746	351.465	KKBMTRGYPBVZEP-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-099910
Cc1nc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc1C	EMOLS-id_328221561,MCULE-6934698462	351.465	RCJVYBOYCNVRTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099911
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2c(s1)CCC2	ZINC22_9954323,EMOLS-id_11871036,PC-id_16392285,CoCoCo_4258284,MCULE-4542187413	351.465	UPRCDFYJHBKREB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099912
N#Cc1ccccc1N1CCCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC22_60520274,EMOLS-id_44530718,MCULE-7615728248,PC-id_71895496	351.465	VABHRADHMXHQAO-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-099913
N#Cc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	CoCoCo_3287344,PC-id_9466302,MCULE-3897917359,EMOLS-id_3666415,ZINC22_23731428	351.465	RCDFCWHGTGGTKU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-099914
O=C(c1cc(n(c1C)Cc1ccncc1)C)NC1Cc2c(C1)ccs2	SCHEMBL2456207,PC-id_21050763	351.465	SVOWGMYDXVILKR-UHFFFAOYSA-N	00000010110000101000000010000000000000000000000000000000	25-01-099915
O=C(c1sc2c(c1)CCC2)NCCc1nccn1Cc1ccccc1	PC-id_86928684	351.465	MFYOQZPEKNUEFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099916
s1c2CCCc2cc1C(=O)NCc1c(n(nc1C)c1ccccc1)C	PC-id_9501864	351.465	QJPIOCOHEUQCBJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-099917
s1c2c(CCC2)c(c1NC(=O)CN1C(CCC1)c1ccccc1)C#N	PC-id_18137743	351.465	GOVCBVLALAALPO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-099918
c1(NC(=O)C(=O)N2CCN(CC2)C)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617936,PC-id_7685580,MCULE-5349392503,Chemmine_48495,ZINC22_23006310,CoCoCo_5184729	351.467	MWWLTSKTLCRNNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099919
Cc1cccc(c1)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109815	351.485	JZNKANIWDBWLCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099940
c1(NC(=S)NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)N	ZINC22_1853074,CoCoCo_919238,STOCK5S-38481,PC-id_1616852,MCULE-7017352534,EMOLS-id_1729222,SPECS-id_AM-879/PD00835	351.467	PMMJOVNIRBRHDV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-099920
C[C@@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1nc2c(s1)CCC2	ZINC22_560554184	351.467	JSOOICQZPQWDST-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099921
C[C@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1nc2c(s1)CCC2	ZINC22_560554185	351.467	JSOOICQZPQWDST-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-099922
CN1Cc2c(C1)nc(s2)C(=O)NC1CC(CCC1N)C(=O)N(C)C	SCHEMBL2941848,PC-id_68451357	351.467	LFGNODYENGDIFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099923
CN1Cc2c(C1)nc(s2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C	SCHEMBL1503967,PC-id_59677002	351.467	LFGNODYENGDIFC-GARJFASQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099924
CNC(=O)CN1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003801	351.467	AZZCPMKUSXXSKB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099925
CN(C(=O)N1CCC(CC1)C(=O)NCCc1nc2n(c1)CCS2)C	EMOLS-id_99821020	351.467	AMKOETGXDFWWOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099926
CNc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)s1	PC-id_8228333,CoCoCo_4028957,EMOLS-id_13513584,MCULE-6988134405,ZINC22_7101711	351.47	QSGNWHIFVWXSGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099927
N#Cc1c(NC(=O)CCSc2nnc(s2)N)sc2c1CCC2	SPECS-id_AN-153/NB25395,MCULE-6519879974	351.47	UAJASRFVFOMGBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099928
s1c2CCCc2c(c1NC(=O)C(Sc1sc(nn1)N)C)C#N	PC-id_4553454	351.47	UABNHDDYFJHXHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099929
C(=C
/CCSCC1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-6869911992,EMOLS-id_328170643	351.484	QSIACWPSBXEPBS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099930
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C)C(=O)OC	PC-id_5141883	351.484	ZDNOIGYTHDYERC-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099931
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C)C(=O)OCC	PC-id_1554285	351.484	HJFSVKOKTVDHBC-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099932
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCCC1)C)C(=O)OCC	PC-id_78275059	351.484	ZJCTZLPYAILREG-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099933
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)OCC	PC-id_84868776	351.484	DACRIIUAONHIPW-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099934
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)OCC	PC-id_2059182	351.484	HBTWVKHXKUCTGV-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-099935
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)OCC	PC-id_8903615	351.484	DACRIIUAONHIPW-LBPRGKRZSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099936
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)OCC	PC-id_8903617	351.484	DACRIIUAONHIPW-GFCCVEGCSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099937
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCCC1)C)C(=O)OCC	PC-id_2465053	351.484	ZJCTZLPYAILREG-GFCCVEGCSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099938
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCCC1)C)C(=O)OCC	PC-id_2465058	351.484	ZJCTZLPYAILREG-LBPRGKRZSA-O	00000010100010000000000010000000000000000000000000000000	25-01-099939
Cc1cc(C)cc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109753	351.485	RIFOMVGVOUZFFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099941
CN(C1CCN(C)CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8096440704,EMOLS-id_328338841	351.485	JALDQMGCGBENGX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099942
CN(C)C1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6448785452,EMOLS-id_328335518	351.485	RZBOAVLGXBTXOH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-099943
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(c(c1)C)C	PC-id_92109754	351.485	CNHLCUBOVVXXOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099944
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCc1ccccc1	PC-id_92109819	351.485	DNRVRKNGVKPEJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099945
c1(NC(=O)CS(=O)C2CCN(CC2)C)sc2c(CCC2)c1C#N	EMOLS-id_320678509,MCULE-4988043583	351.487	SKVVSSXDTIJORS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099946
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCN1CCCC1	MCULE-1037090993,EMOLS-id_186634677	351.487	SUJQLONFZIBIGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099947
OCC1CSCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_99330724	351.487	FQNRYUAXSLTMAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099948
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(cc(c(c1)C)C)C	PC-id_7640528	351.487	INLWMEYPZSJVOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099949
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(cc(cc1C)C)C	PC-id_7640529	351.487	RKFVAGUBQSOQQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099950
c1(C(C)N(C)C(=O)NCc2cn3c(SCC3)n2)c(C)sc(C)n1	PC-id_119073115,MCULE-5388515030,EMOLS-id_82738825	351.49	OKRXECURCNVUMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099951
Cc1nc([C@@H](C)N(C)C(=O)NCc2cn3c(n2)SCC3)c(C)s1	ZINC22_426684512	351.49	OKRXECURCNVUMN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099952
Cc1nc([C@H](C)N(C)C(=O)NCc2cn3c(n2)SCC3)c(C)s1	ZINC22_426684513	351.49	OKRXECURCNVUMN-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-099953
Cc1nc(CSCCC(=O)N(C)Cc2nnc3n2CCC3)cs1	PC-id_51114996,ZINC22_58297287,EMOLS-id_31936762,MCULE-5564619553	351.49	BDHMVZBIVCQWFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-099954
c12CCCc1c(C(=O)OCC)c(NC(=O)CC(C)CC(C)(C)C)s2	MCULE-2481028407,EMOLS-id_25508664,PC-id_46094835	351.503	JGUURBSTWZLMQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099955
CCCCC(CC)CC(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328020214,MCULE-4422014507	351.503	LYMXURQTBINKAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099956
CCCCCCCCC(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328036524,MCULE-9243046953,PC-id_3441972	351.503	WYHODESFUWNEED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099957
CCOCCCN1C(=O)c2c(C1=O)c(sc2C(C)(C)C)C(C)(C)C	PC-id_117796317,SCHEMBL16366799	351.503	SZROFBFOGNNLTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099958
CCOC(=O)c1c(NC(=O)C[C@H](CC(C)(C)C)C)sc2c1CCC2	PC-id_92756891	351.503	JGUURBSTWZLMQD-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099959
CCOC(=O)c1c(NC(=O)C[C@@H](CC(C)(C)C)C)sc2c1CCC2	PC-id_92756892	351.503	JGUURBSTWZLMQD-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099960
s1c2c(CCC2)c(c1NC(=O)CCCCCCCCC)C(=O)OC	PC-id_4668335	351.503	FBWBMTPHWKVAIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099961
CCN(C1CCOC(C1)(C)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010659	351.507	IRTHBOPFBGMVDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099962
O=C(Nc1c2C[S@](=O)Cc2nn1C(C)(C)C)CCC1CCCCC1	CoCoCo_4984963,PC-id_44167085	351.507	BXHAOHOILMXCBZ-DEOSSOPVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099963
O=C(Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C)CCC1CCCCC1	CoCoCo_4984964,PC-id_44167086	351.507	BXHAOHOILMXCBZ-XMMPIXPASA-N	00000010100010000001000010000000000000000000000000000000	25-01-099964
O=S(=O)(c1cnc2n1CCC2)N1CCCC1CCC1CCCCC1	EMOLS-id_100223707	351.507	BICGPDGKBGCQEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099965
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)CCC1CCCCC1	PC-id_2160263	351.507	BXHAOHOILMXCBZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099966
CN1CCN(CC1)CC(NC(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102002034	351.51	GIAWFMRGYWLAMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099967
O=C(NC1CC(C)(C)NC(C1)(C)C)NCCc1nc2n(c1)CCS2	EMOLS-id_99817477	351.51	TVYPTYHBUDXADW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099968
s1c2CCCc2c(c1NC(=O)CSC(=S)N1CCCC1)C#N	PC-id_7605888	351.51	FCAQFPLQFQMLMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099969
CCC(CN1C(=O)c2c(C1=O)c(sc2/C(=C/C)/S)C(C)(C)C)C	PC-id_145013663	351.527	IPXPJQVIHZXLBZ-FLIBITNWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-099970
n1c2CCCc2sc1CN1CCCC(C1)C(=O)N1CCSCC1	MCULE-7433623698,EMOLS-id_324553551	351.53	ZXPIKXNQJIIRIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099971
O=C([C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1)N1CCSCC1	ZINC22_1889108516	351.53	ZXPIKXNQJIIRIK-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099972
O=C([C@H]1CCCN(Cc2nc3c(s2)CCC3)C1)N1CCSCC1	ZINC22_1889108517	351.53	ZXPIKXNQJIIRIK-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-099973
s1c2CCCc2cc1C(=O)NNC(=S)NC1C(C(CCC1)C)C	PC-id_73146221	351.53	IAQBCXPLEOTVMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099974
s1c2CCCc2cc1C(=O)NNC(=S)N[C@@H]1[C@@H]([C@@H](CCC1)C)C	PC-id_11937130	351.53	IAQBCXPLEOTVMO-WZRBSPASSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099975
s1c2CCCc2cc1C(=O)NNC(=S)N[C@@H]1[C@@H]([C@H](CCC1)C)C	PC-id_11937131	351.53	IAQBCXPLEOTVMO-LOWVWBTDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099976
s1c2CCCc2cc1C(=O)NNC(=S)N[C@H]1[C@@H]([C@@H](CCC1)C)C	PC-id_11937132	351.53	IAQBCXPLEOTVMO-NQBHXWOUSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099977
s1c2CCCc2cc1C(=O)NNC(=S)N[C@H]1[C@@H]([C@H](CCC1)C)C	PC-id_11937133	351.53	IAQBCXPLEOTVMO-DMDPSCGWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-099978
Clc1cccc(c1S(=O)(=O)N1Cc2c(C1)cn[nH]2)C(F)(F)F	MCULE-8209783826,EMOLS-id_316407820	351.732	WNDKBMPIVPGZPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099979
Clc1cccc(c1S(=O)(=O)N1CCn2c1ncc2)C(F)(F)F	EMOLS-id_319163364	351.732	RCCZGZHEXIKNHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099980
Clc1ccc(cc1S(=O)(=O)N1CCn2c1ncc2)C(F)(F)F	EMOLS-id_319409232	351.732	JNYOOSPHGRIJLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099981
Clc1c(occ1)C(=O)c1n2c(C(CC2)(C(=O)OC)C(=O)OC)cc1	SCHEMBL11068668,PC-id_20454639	351.738	SCWGFPLJFCSVRW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-099982
Fc1ccc(c(c1)Cl)C1OCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_316054234,MCULE-6447165884	351.76	FUOAOIWETSMSSA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099983
O=C(c1cc2n(n1)CCO2)N1CCO[C@H](c2ccc(F)cc2Cl)C1	ZINC22_365600036	351.76	FUOAOIWETSMSSA-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099984
O=C(c1cc2n(n1)CCO2)N1CCO[C@@H](c2ccc(F)cc2Cl)C1	ZINC22_365600039	351.76	FUOAOIWETSMSSA-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-099985
FC1CN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl	SCHEMBL19609563	351.763	FVBHNLAQFUOYEQ-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-099986
Clc1ccc(C(=O)c2n(c3c(OC(=O)C3)c2)Cc2ccccc2)cc1	PC-id_15485819,SCHEMBL7675486	351.783	ZWLOLWQRAHGEGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099987
Clc1cc(CN2Cc3n(ncc3C2)CCO)c(OCC(=O)O)cc1	MCULE-2462986139,PC-id_77083130,EMOLS-id_49874408	351.785	ZCQVHKQBUGDLPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099988
Clc1cc(NC(=O)NCc2n3CCCc3nn2)c(OC)cc1OC	PC-id_60449055	351.788	JJFQPBGLRDRGGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099989
Clc1c(OC)cc(NC(=O)NCc2n3CCCc3nn2)c(OC)c1	PC-id_55695411	351.788	CFVBAELXPYAFCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-099990
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129484,PC-id_28860241,MCULE-7210282071	351.805	SETHOCGWZIYOAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099991
c1(NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C(=O)O	PC-id_28860287,EMOLS-id_179129535,MCULE-6093963287	351.805	YARIPCVYQSBLPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099992
Clc1ccc(C(=O)c2n3CCC(OC(=O)O)c3cc2SC)cc1	PC-id_70450587,SCHEMBL10817863	351.805	BXKKSONUDMCOKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099993
Clc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccc(S(=O)C)cc1	PC-id_20528098,SCHEMBL11032908	351.805	KWEZGFVGRMEYJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099994
ClC(=C)COC(=O)c1c2CCCc2sc1NC(=O)c1occc1	PC-id_30748642	351.805	RUPNQHWXYJZTFH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-099995
OC(=O)COc1ccc(cc1Cl)NC(=O)c1sc2c(c1)CCC2	PC-id_120213271,EMOLS-id_53678549,MCULE-8960312178	351.805	RFMPPEHSYBLQCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-099996
c12c(CCC1C(=O)OCC)sc(NC(=O)c1nccc(Cl)c1)n2	MCULE-1769034478,PC-id_45505402,EMOLS-id_30779787	351.808	WZOYOHJAGVSHOR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099997
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cc(Cl)ccn3)nc12	ZINC22_38680009,PC-id_51896617	351.808	WZOYOHJAGVSHOR-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-099998
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cc(Cl)ccn3)nc12	ZINC22_38680013,PC-id_51896618	351.808	WZOYOHJAGVSHOR-VIFPVBQESA-N	00000010100000101001000010000000000000000000000000000000	25-01-099999
CCC(CC)c1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324852973	351.826	WYXKGADKSLEYGB-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100000
n12c(=O)c(=Cc3c(cccc3Cl)F)sc1nc(C(CC)CC)n2	MCULE-9479117521	351.826	WYXKGADKSLEYGB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100001
Clc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1	MCULE-7809907462,EMOLS-id_328222324	351.829	XKTSDYGYWGUXNG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-100002
Clc1ccnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328223093,MCULE-9954152749	351.829	UWEGPXFFRWVKGC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-100003
O=C(Nc1nc2c(s1)CCC2)c1cc(c2ccc(Cl)s2)on1	PC-id_75414820,ZINC22_95350260	351.831	FQDATUIGDRSJRL-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-100004
CCc1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324842727	351.834	YGYXZQBXZIJVPI-YWEYNIOJSA-N	00000000100000000001000110000000000000000000000000000000	25-01-100005
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CC	MCULE-7261034083	351.834	YGYXZQBXZIJVPI-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-100006
c1(C(=O)OCC)c2CCCc2sc1NCc1cc(Cl)ccc1O	STOCK3S-85746,EMOLS-id_2462224,SPECS-id_AE-848/12529036,ZINC22_708892,CoCoCo_953360,PC-id_1038100,MCULE-6762511247	351.848	OTEVROLOXLACRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100007
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(s1)Cl)C)C	PC-id_20356117,SCHEMBL11662939	351.848	YXEUNCICYJIGFC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100008
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1scc(c1)Cl)C)C	SCHEMBL11664354,PC-id_20356075	351.848	FLJHOTSUFQOCLS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100009
c1(NC(=O)c2cccc(Cl)c2)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-1089164263,EMOLS-id_5442731,ChEMBL-DNDi_CHEMBLF0561-0361,PC-id_2160327	351.851	UYJWHCXBAHOTSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100010
c1(NC(=O)CCCOc2ccccc2Cl)n(C)nc2CSCc12	MCULE-1084186713,EMOLS-id_334563005	351.851	UCWXAZBWVRADNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100011
c1(NC(=O)CCCOc2ccc(cc2)Cl)n(C)nc2CSCc12	MCULE-8323714476,EMOLS-id_334564029	351.851	QJXXHJNRFAKZNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100012
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)n(C)nc2CSCc12	MCULE-1768237081,PC-id_134713142,EMOLS-id_316269056	351.851	XEIPUQDBDNPSSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100013
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)n(C)nc2CSCc12	EMOLS-id_334562236,MCULE-1476022475	351.851	SRKZXMZBVHAXKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100014
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529192548	351.851	XEIPUQDBDNPSSN-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-100015
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529192549	351.851	XEIPUQDBDNPSSN-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100016
CC(C)(C)n1nc2c(c1NC(=O)c1cccc(Cl)c1)C[S@](=O)C2	PC-id_11863856,CoCoCo_4985225,ZINC22_4106037	351.851	UYJWHCXBAHOTSR-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100017
CC(C)(C)n1nc2c(c1NC(=O)c1cccc(Cl)c1)C[S@@](=O)C2	PC-id_11877706,ZINC22_2724960,CoCoCo_4985226	351.851	UYJWHCXBAHOTSR-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100018
Clc1ccc(cc1)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184310	351.851	DDWMNDRHHXQHGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100019
Clc1ccccc1C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100188534	351.851	MTRXMIUHOWGYCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100020
Clc1ccc(C(=O)Nc2n(nc3c2C[S@@](=O)C3)C(C)(C)C)cc1	PC-id_11883665	351.851	UPAXDMMFCIDKOI-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100021
Clc1ccc(C(=O)Nc2n(nc3c2C[S@](=O)C3)C(C)(C)C)cc1	PC-id_11883666	351.851	UPAXDMMFCIDKOI-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100022
Clc1ccc(C(=O)Nc2n(nc3c2CS(=O)C3)C(C)(C)C)cc1	PC-id_4611852	351.851	UPAXDMMFCIDKOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100023
Clc1c(C(=O)Nc2n(nc3c2C[S@](=O)C3)C(C)(C)C)cccc1	CoCoCo_4985215,PC-id_11863402	351.851	BLNFAHSGWIBABU-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100024
Clc1c(C(=O)Nc2n(nc3c2C[S@@](=O)C3)C(C)(C)C)cccc1	CoCoCo_4985216,PC-id_11877702	351.851	BLNFAHSGWIBABU-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100025
Clc1c(C(=O)Nc2n(nc3c2CS(=O)C3)C(C)(C)C)cccc1	PC-id_2050916,ChEMBL-DNDi_CHEMBLF0561-0352	351.851	BLNFAHSGWIBABU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100026
Clc1sc2C(N(N(c2c1)Cc1ccccc1)CCNC(=O)O)C	PC-id_70003335,SCHEMBL7145231	351.851	BLAQSQTULYOREB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100027
COc1ccc(Cl)cc1NCCC(=O)Nc1nc2c(s1)CCC2	EMOLS-id_48781422,MCULE-6066435872,PC-id_75480063,ZINC22_65858347	351.851	VIUZYBOKXHIELZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100028
O=S(=O)(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cnc2n1CCC2	ZINC22_582428281	351.851	GXUACQOSFVHPMA-MQMHXKEQSA-N	00001010100000110001100010000000000000000000000000000000	25-01-100029
COc1ccc(cc1Cl)NC(=NCCc1cn2c(n1)SCC2)N	PC-id_120363216	351.854	MTBRRAAGYFXNGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100030
ClCCCCS(=O)(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_116814968	351.869	KWBNRIZRWVAWNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100031
ClCCCS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_43654344	351.869	NKXFHACNKDHUCS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100032
ClCC(CS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_79555538	351.869	IANRMZAYXQKKRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100033
Clc1ccc(NC(=S)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_9278612	351.874	RJAMPDIVVRZGJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100034
CC(C)(C)OC(=O)N1C2=C(CCS2)C(=N1)I	PC-id_150257259	351.974	GAUUDMTVJOCHGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100035
C[C@@H](C(F)(F)F)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)O)Cl	PC-id_154663334	352.044	IIMMYNHJJGCBCA-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100036
C[C@H](C(F)(F)F)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)O)Cl	PC-id_154663339	352.044	IIMMYNHJJGCBCA-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100037
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C(=C3)F)F)F)NC(=O)[O-]	PC-id_150245958	352.091	FYNATNKSXZVBHD-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-100038
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC(=C2)C=O	PC-id_150016984	352.109	DELYQYWNMWVEME-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-100039
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2C=O	PC-id_151723348	352.109	RJAYOBIEXUVWLY-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-100040
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)C=O	PC-id_149946386	352.109	CQHVCATWJQUQLJ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-100041
CC1(CCC2=C1N=C(S2)NC(=O)C3=CC=CN3CC4=CC=NC=C4)C	PC-id_154695365	352.136	RCVQQZNCXJLKCE-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-100042
C1CC2=NC=NN2C1CNC(CC3=CC=C(C=C3)Cl)C4=CC=CC=C4	PC-id_154798638	352.145	XOZPMNOYCZJGDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100043
Cn1cc2CN(Cc2n1)C(=O)Nc1c(ccc(n1)c1ccccc1F)N	PC-id_163938678	352.145	RPBKBMRYFSWTTO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-100044
Brc1c2n(CCC2C(=O)O)c(c1)C(=O)c1ccc(F)cc1	PC-id_20404972,SCHEMBL11002933	352.155	HHUFWFJUPAFJIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100045
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1cc(F)ccc1	SCHEMBL11270491,PC-id_70550558	352.155	XQFFUCISVFMNOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100046
O=C(c1ccc(F)cc1)c1c(Br)cc2n1CCC2C(=O)O	SCHEMBL11271813,PC-id_13068190,CHEMBL167136	352.155	MFWZDTBBDWCKJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100047
C1CC2=NN=C(N2C1)CN3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F	EMOLS-id_330475614,MCULE-8375743114,PC-id_155941766,ZINC22_1888853316	352.162	AOMOTDWAFIYFRZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-100048
CC(C)N1C=NN=C1C2=NC(=CC=C2)NC(=O)NC3=NNC4=C3CCC4	PC-id_152195208	352.176	VUCNNUNDEPODPO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100049
C1[C@H](n2c(c(c(n2)Br)C(=O)O)N1)COCc1ccccc1	PC-id_137314666,SCHEMBL20539730	352.183	LELPVPUFTOSLDC-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-100050
C1C(n2c(c(c(n2)Br)C(=O)O)N1)COCc1ccccc1	PC-id_137221524,SCHEMBL18740224	352.183	LELPVPUFTOSLDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100051
Cc1cc(=O)[nH]c(n1)CNC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_258011276,MCULE-1281796029	352.187	PVGDMAJAVWKASE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-100052
ICC1Sc2n(C1)c(c(n2)C(=O)OCC)C	PC-id_50901119	352.192	SNTSAFWRDWWTAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100053
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(Br)ccc2F)n1	MCULE-8087930014,EMOLS-id_331035401	352.202	SOHPBLZDBJVSRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100054
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(Br)cc(F)c2)n1	MCULE-5001970588,EMOLS-id_331035913	352.202	PFOCEYIBSIDDEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100055
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(Br)c2)F)n1	EMOLS-id_331035145,MCULE-5087260434	352.202	SSWOJWYWSMGOEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100056
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(Br)c2F)n1	EMOLS-id_331035657,MCULE-1434122888	352.202	APNUFXCMUGRZPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100057
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2Br)F)n1	EMOLS-id_331037193,MCULE-3743625104	352.202	JAWPCLBMULUWSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100058
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2F)Br)n1	EMOLS-id_331037960,MCULE-1171154078	352.202	KJUBIZPRYJZOGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100059
c1(C(=O)N)c2C(C)CCc2n(Cc2c(cccc2F)Br)n1	MCULE-2131073878,EMOLS-id_331037449	352.202	MUPYOAWVVAPDRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100060
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(F)c2Br)n1	EMOLS-id_331037705,MCULE-6261486823	352.202	GIINGDQRTKZYAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100061
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(F)c2)Br)n1	EMOLS-id_331038216,MCULE-3950167170	352.202	YTVGRICBRVWAJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100062
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(Br)ccc1F	MCULE-8297432195,EMOLS-id_331021490	352.202	GWDFTYCNYZWGHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100063
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(Br)cc(F)c1	MCULE-5561830929,EMOLS-id_331022002	352.202	MTVLNSWZDBOGCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100064
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(Br)c1F	MCULE-1181207304,EMOLS-id_331021746	352.202	YZFIXGOXHVGPRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100065
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)F	MCULE-9124089353,EMOLS-id_331021234	352.202	MQPQIPHQZUMIBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100066
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1Br)F	EMOLS-id_331019187,MCULE-5871970738	352.202	BRPSJFLWWHOCNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100067
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1F)Br	MCULE-8862833791,EMOLS-id_331019954	352.202	GTABXIKDJPTNBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100068
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(F)c1)Br	MCULE-1438094812,EMOLS-id_331020210	352.202	QFCNMQXMJHXKOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100069
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(F)c1Br	MCULE-6116992409,EMOLS-id_331019699	352.202	YBJXSXUNTVSADO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100070
CC1CCc2nn(Cc3c(F)cccc3Br)c(C(=O)N)c12	MCULE-1457785617,EMOLS-id_331019443	352.202	DIRODIYIJQKKIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100071
Clc1cc(NC2CCc3c2cc(s3)Cl)cc(c1)C(F)(F)F	PC-id_116699171	352.202	JVWPOEMVCKFAKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100072
Clc1sc2CCC(Nc3c(cccc3Cl)C(F)(F)F)c2c1	PC-id_81233710	352.202	OTKCENLEZWBREV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100073
Clc1sc2CCC(Nc3cc(ccc3Cl)C(F)(F)F)c2c1	PC-id_81235581	352.202	UJKSSFFHLKRTKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100074
Clc1sc2CCC(Nc3cc(c(Cl)cc3)C(F)(F)F)c2c1	PC-id_81233711	352.202	KAJCNJMUDFXAAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100075
Clc1sc2CCC(Nc3c(cc(Cl)cc3)C(F)(F)F)c2c1	PC-id_81234821	352.202	KSHYPGLOICUYIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100076
Clc1sc2CCC(Nc3c(Cl)cc(cc3)C(F)(F)F)c2c1	PC-id_81234524	352.202	PTQLZTPMSIJGTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100077
CCCCCCc1cc(c(cc1[O-])O)N=C1C=C(n2c1nc(c2C)C)C	PC-id_164093260	352.203	XHZUBEVWVUNVAT-UHFFFAOYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-100078
COCc1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324900865	352.206	VEMLWSPTRKTYPW-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-100079
COCc1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324899844	352.206	OWHNAFIOBOWCCX-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-100080
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COC	MCULE-3100599538	352.206	OWHNAFIOBOWCCX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100081
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)COC	MCULE-4719280722	352.206	VEMLWSPTRKTYPW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100082
CCCCn1c(cc2c1CC(=O)O2)C(=O)c1ccc(cc1Cl)Cl	PC-id_9863300,SCHEMBL7679056	352.212	JUYWVCAZIZINPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100083
Clc1c2n(CCC2C(=O)OC)c(c1Cl)C(=O)c1ccc(cc1)C	PC-id_20405050,SCHEMBL11004479	352.212	AGGDHLAQGYKYIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100084
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)C	MCULE-4704695592,EMOLS-id_330979573	352.213	CNNJWUYODCBDRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100085
CC1CCc2c1c(I)nn2Cc1ccccc1C	EMOLS-id_330979837,MCULE-2706234439	352.213	VWYHCHVABKYRAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100086
CC1CCc2c1c(I)nn2Cc1cccc(C)c1	MCULE-9067963087,EMOLS-id_330979582	352.213	XSKRZYVIUFTLFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100087
CC1CCc2nn(Cc3ccccc3C)c(I)c12	MCULE-1037276576,EMOLS-id_330963897	352.213	GFHJWZCOTCSSHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100088
CC1CCc2nn(Cc3cccc(C)c3)c(I)c12	EMOLS-id_330963642,MCULE-4820477537	352.213	QISJSRUIKWROTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100089
CC1CCc2nn(Cc3ccc(C)cc3)c(I)c12	MCULE-4327092598,EMOLS-id_330963633	352.213	IULABESRAINYME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100090
Cc1nn2c(n1)C(=Nc1cc(c(c(c1)Cl)O)Cl)C(=N2)C(C)(C)C	PC-id_136089194	352.218	LRZJEXBSSDBHKE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100091
Cc1nnc2n1N=C(C2=Nc1cc(c(c(c1)Cl)O)Cl)C(C)(C)C	PC-id_136089196	352.218	ZKZQYCAHSMRCLS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100092
CCC1=Nn2c(C1=Nc1cc(Cl)c(c(c1)Cl)O)nc(n2)C(C)C	PC-id_136054776,SCHEMBL12732217	352.218	JGUYPPZLGLYWCF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100093
CCCCc1nnc2n1N=C(C2=Nc1cc(c(c(c1)Cl)O)Cl)C	PC-id_135733709	352.218	ZQVFLDURVVHHMJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100094
Brc1cc(n(CC)c1)C(=O)N(Cc1n2CCCc2nn1)C	PC-id_60955466	352.23	CEMSPFUFTFMRHM-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-100095
Brc1cc(n(CC)c1)C(=O)NC(c1n2CCCc2nn1)C	PC-id_60956115	352.23	XZQYSPYQEYCVBE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-100096
O=C(c1c(Br)nc2n1CCC2)NCC(n1cccn1)(C)C	MCULE-5810943934,EMOLS-id_258022787	352.23	VUAQVBTVRVITCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100097
O=C(c1c(Br)nc2n1CCC2)NCC(n1cncc1)(C)C	EMOLS-id_278446541	352.23	RWIUTZLPCQIROA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100098
COCc1c(NC(=O)C(Cl)Cl)sc2c1C(CC2)C(=O)OC	PC-id_143287259	352.233	YWNRYPGBZYTJDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100099
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1(C)CC1(Cl)Cl	EMOLS-id_112079648	352.237	XZIRSTDKNSPTEU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-100100
Clc1c(NC(=O)Nc2sc3CCCc3c2C#N)cccc1Cl	PC-id_35279572,CoCoCo_6400450	352.238	ZLSBASOBHXBOCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100101
CC1CCc2c1c(CN)nn2Cc1c(F)ccc(C)c1Br	EMOLS-id_331018224,MCULE-7497500167	352.245	ACFNPZBZEKKAGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100102
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(CN)c12	MCULE-3050330804,EMOLS-id_330995899	352.245	YATMFLVKYUVKLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100103
CC(Cc1cc(Br)ccc1F)NCc1cnc2n1CCC2	EMOLS-id_318032033	352.245	UPTVSIBUSXLECZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100104
Brc1cc(NC(=O)c2sc3CCCc3c2)c(OC)cc1	PC-id_61074375	352.246	ACSNBJGZUYRTFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100105
Brc1c(NC(=O)c2sc3CCCc3c2)cc(OC)cc1	PC-id_62416212	352.246	QHSMZPCHDKHQGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100106
BrC(c1sc2c(CCC2)c1)Cc1ccc([N+](=O)[O-])cc1	PC-id_63544499	352.246	JPDNXFGTXWJJQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100107
BrC(c1sc2c(CCC2)c1)Cc1c([N+](=O)[O-])cccc1	PC-id_63543617	352.246	CXHVGVUSCZRNDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100108
Brc1cc(C[NH2+]C(c2n3CCCc3nn2)C)ccc1OC	PC-id_75739818	352.249	PLYMKQLRYVCWRF-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-100109
Brc1cc(C[NH2+][C@H](c2n3CCCc3nn2)C)ccc1OC	PC-id_51887815	352.249	PLYMKQLRYVCWRF-JTQLQIEISA-O	00000010100000110001000010000000000000000000000000000000	25-01-100110
Brc1cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)ccc1OC	PC-id_51887817	352.249	PLYMKQLRYVCWRF-SNVBAGLBSA-O	00000010100000110001000010000000000000000000000000000000	25-01-100111
Brc1cc(N)c(c(c1)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_107872564	352.249	MHTLCASKZFMSNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100112
Brc1cn(C2CC2)c(c1)C(=O)Nc1sc2CCCc2n1	PC-id_61512010	352.249	YISBJWTXXZCCKT-UHFFFAOYSA-N	00100010110000000001100010000000000000000000000000000000	25-01-100113
c1(NC(=O)Cc2ccc(cc2)Br)n(C)nc2CSCc12	EMOLS-id_334564018,MCULE-7766733168	352.249	KNRZPYGTPGSCHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100114
N#CC(c1ccc(cc1)OC(F)(F)F)NC(=O)c1cc2n(n1)CCO2	MCULE-9248162047,EMOLS-id_316746994	352.268	AXSWKGFATOZYGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100115
N#C[C@@H](NC(=O)c1cc2n(n1)CCO2)c1ccc(OC(F)(F)F)cc1	ZINC22_570495931	352.268	AXSWKGFATOZYGW-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100116
N#C[C@H](NC(=O)c1cc2n(n1)CCO2)c1ccc(OC(F)(F)F)cc1	ZINC22_570495932	352.268	AXSWKGFATOZYGW-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100117
O=c1cc(ccn1CC1CCc2n1ncn2)c1noc(n1)C(F)(F)F	SCHEMBL19748435	352.271	CSZFVBMGCAKOIW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100118
O=c1[nH]ccc(c1CC1CCc2n1ncn2)c1noc(n1)C(F)(F)F	SCHEMBL19748438	352.271	MSGDDFPDGRWGCJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100119
Brc1ccc(C(C(O)c2sc3c(CCC3)c2)CN)cc1	PC-id_65186302	352.289	CJOWRUGFITVGSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100120
Brc1cc(C(C(O)c2sc3c(CCC3)c2)CN)ccc1	PC-id_65188286	352.289	YMZPMJNBUDDCGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100121
Brc1cc(C(N)c2sc3c(CCC3)c2)c(OC)cc1C	PC-id_65439542	352.289	FWVKGAZNTGQXMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100122
Brc1cc(C(N)c2sc3c(CCC3)c2)c(OCC)cc1	PC-id_43464837	352.289	VBOOJNIDEPEOFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100123
Brc1cc(C(NC)c2sc3c(CCC3)c2)ccc1OC	PC-id_43479893	352.289	CIIREHGCRAPBEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100124
Brc1cc(CNCc2sc3CCCc3c2)ccc1OC	PC-id_61206840	352.289	JRJGFOFIGRKCDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100125
Brc1cc(C(NC)c2sc3c(CCC3)c2)c(OC)cc1	PC-id_43480010	352.289	GRAFYMLFSVVPTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100126
Brc1cc(CNCc2sc3c(CCC3)c2)c(OC)cc1	PC-id_61209327	352.289	SNFSAIYHXMRRDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100127
Brc1c(C(C(O)c2sc3c(CCC3)c2)CN)cccc1	PC-id_65189505	352.289	DTFUKEBHDVUTRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100128
Brc1ccc(OCCNCc2sc3CCCc3c2)cc1	PC-id_63492909	352.289	YWCOYRDZYSNICJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100129
Brc1cc(C(O)CNCc2sc3c(CCC3)c2)ccc1	PC-id_61206866	352.289	PBUVGZNHVDZNOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100130
Brc1c(C(N)c2sc3c(CCC3)c2)ccc(OCC)c1	PC-id_80279914	352.289	OSGQVAKKDVXULS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100131
Brc1c(C(NC)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_60788136	352.289	MOILNBHPTKMREV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100132
Brc1c(CNCc2sc3c(CCC3)c2)cc(OC)cc1	PC-id_65323735	352.289	WPAKJMLKDWMEMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100133
Brc1cc(OCCNCc2sc3CCCc3c2)ccc1	PC-id_63492734	352.289	ANSKDYSEHPLDRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100134
CCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)N	PC-id_104657326	352.289	CYFOUAAVKRMUNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100135
COc1ccc(cc1Br)CC(c1sc2c(c1)CCC2)N	PC-id_115817814	352.289	FNCSECOLRYCMRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100136
COc1ccc(cc1CC(c1sc2c(c1)CCC2)N)Br	PC-id_115816912	352.289	LPZNQNUCJGLITP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100137
COc1ccc(c(c1)CC(c1sc2c(c1)CCC2)N)Br	PC-id_115862169	352.289	OHWXSNUNPJUUGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100138
Brc1cc(NCc2sc3c(c2)CCC3)nc(n1)C(C)C	PC-id_106194028	352.293	RBVKNBGBWIFRSG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-100139
CCCc1nc(NCc2sc3c(c2)CCC3)cc(n1)Br	PC-id_106194078	352.293	HSOKLWBEBUEXPC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-100140
CCCNC(c1sc2c(n1)CCC2)c1ccc(cn1)Br	PC-id_104272630	352.293	LVQOAWRZNLKMOO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100141
CCCNC(c1sc2c(n1)CCC2)c1cncc(c1)Br	PC-id_116064299	352.293	YKLQQPFXZYPJTC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100142
CC(NC(c1sc2c(n1)CCC2)c1ccc(cn1)Br)C	PC-id_104272644	352.293	DIBCIJHJQYSSIM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100143
CC(NC(c1sc2c(n1)CCC2)c1cncc(c1)Br)C	PC-id_116064306	352.293	LTRBOVSUECACMQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100144
ClC(=C1Sc2c(n(c(c2S1)C)C(=O)OC(C)(C)C)C)Cl	PC-id_10594130	352.3	GIKLSEOIZVZRSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100145
Cc1c(n2C[C@@H](Cc2c1CC(=O)O)F)C(=O)Nc1cc(c(cc1)F)F	PC-id_134605056,SCHEMBL20259626	352.308	VLYADMSYEPQYAK-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100146
O=C(c1c2CCCn2c(c1C)C(=O)O)Nc1ccc(c(c1)C(F)F)F	PC-id_139434875,SCHEMBL21296712	352.308	DZGKLASWRIGNFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100147
O=C1CN(CCN1CC(F)(F)F)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98568948	352.333	KIURLXIQAFJISN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100148
CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)c2cnn3c2CC(F)(F)C3)n[nH]1	ZINC22_1875405513	352.339	IAOOPZGCVDVAKZ-SCZZXKLOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-100149
COC(=O)c1c2CC(=O)N(n2c(c1C(=O)OC)C)C(=O)OC(C)(C)C	PC-id_101052749	352.339	YPTWEWQRSQCMEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100150
FC1(F)C[C@H](O[C@H]1n1ccc(nc1=O)N)CN1Cc2n(ncc2C1)C	SCHEMBL12826457,PC-id_68391253	352.339	VZIYURDTLSQNHY-GXFFZTMASA-N	00000010100000100001100010000000000000000000000000000000	25-01-100151
FC1(F)CC(OC1n1ccc(nc1=O)N)CN1Cc2n(ncc2C1)C	PC-id_77495004	352.339	VZIYURDTLSQNHY-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-100152
c1(C(=O)O)cn(Cc2nnc3CCCn23)cc(Oc2ccccc2)c1=O	PC-id_50963068,ZINC22_55199746,EMOLS-id_32224582,MCULE-4096600982	352.344	LWQGVPCPIJLJSI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-100153
Cc1ccc(CNC(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)o1	PC-id_97442835,ZINC22_96147311	352.344	WOGSKXUBLWKIFY-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-100154
[nH]1nc(c2c1CN(C2)C(=O)[C@H](c1ccccc1)O)NC(=O)c1ccco1	CHEMBL1171583,PC-id_46911329	352.344	PLJIHYQQUOFHDV-HNNXBMFYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-100155
O=C(N1Cc2c([nH]nc2NC(=O)c2occc2)C1)C(O)c1ccccc1	PC-id_75251534	352.344	PLJIHYQQUOFHDV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-100156
CN(CCO)c1ccc(cc1)Nc1c(c(=C)n2c1nc(n2)C(=O)O)[N+]#[C-]	PC-id_90890617	352.347	WLYCYTBWXCCTPP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100157
CNC(=O)Nc1nn2c(c1)N(CC2)C(=O)c1ccc(cc1)c1cnco1	SCHEMBL12307466,PC-id_46185173	352.347	DPAIRYDPKCWDAS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100158
OCCN(c1ccc(cc1)N=C1c2nc(nn2C(=C1C#N)C)C(=O)O)C	SCHEMBL14362112	352.347	IONQEKYBNZLSRA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100159
OCCN(c1ccc(/N=C/c3n(nc(n3)C(=O)O)C(=C2C#N)C)cc1)C	PC-id_71153353	352.347	IONQEKYBNZLSRA-XMHGGMMESA-N	00000011100000110001000010000000000000000000000000000000	25-01-100160
OCCN(c1ccc(/N=C/c3n(nc(n3)C(=O)O)C(=C2[N+]#[C-])C)cc1)C	PC-id_58776966	352.347	PPXSNCDHFYENHN-XMHGGMMESA-N	00000011100000110001000010000000000000000000000000000000	25-01-100161
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(c1)C(F)(F)F)C	MCULE-7779809840,EMOLS-id_330971572	352.351	ASSQABJXYNAMOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100162
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1c(C)ccc(c1)C(F)(F)F	EMOLS-id_330971828,MCULE-9314434964	352.351	MIUVJWNKVLNUGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100163
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(c2C)C(F)(F)F)n1	EMOLS-id_330991867,MCULE-9382881179	352.351	YTNRQRCCPQAMDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100164
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(c2)C(F)(F)F)C)n1	MCULE-4174465193,EMOLS-id_330991355	352.351	QVHLDROXYDDBGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100165
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)cc(c2)C(F)(F)F)n1	EMOLS-id_330991611,MCULE-3446197091	352.351	SUFXJRYEEPQHGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100166
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(C)ccc(c2)C(F)(F)F)n1	MCULE-7613217573,EMOLS-id_330991099	352.351	GFYQIRNEVCSDNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100167
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(c1C)C(F)(F)F	MCULE-5420386364,EMOLS-id_330973623	352.351	PYEJNAFBDGVCGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100168
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(c1)C(F)(F)F)C	EMOLS-id_330977206,MCULE-9998889878	352.351	PTVJAUAGADQOEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100169
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_330973367,MCULE-6898235387	352.351	BLOBCCIPKGQLII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100170
c1(C(=O)OC)c2C(C)CCc2nn1Cc1c(C)ccc(c1)C(F)(F)F	MCULE-1425528931,EMOLS-id_330976950	352.351	XJQJOLKFDWQSND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100171
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C(F)(F)F	EMOLS-id_330973368,MCULE-8458337152	352.351	SPGKGOFDNUUUQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100172
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(c1)C(F)(F)F	MCULE-4277863706,EMOLS-id_330975162	352.351	OLDVDAXEJLAUKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100173
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccccc1C(F)(F)F	MCULE-8327173501,EMOLS-id_330976955	352.351	IPKNQFISNHBLEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100174
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2C(F)(F)F)n1	EMOLS-id_330997497,MCULE-9124452708	352.351	GFNUWXQKPCPGBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100175
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(c2)C(F)(F)F)n1	MCULE-1589066242,EMOLS-id_330995450	352.351	HICBIOPVHGILHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100176
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)C(F)(F)F)n1	MCULE-9836627828,EMOLS-id_330995193	352.351	RKFABEKSEPVEDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100177
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)C(F)(F)F	EMOLS-id_330980020,MCULE-8902975985	352.351	KUFFVXCSPPRCAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100178
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(c1)C(F)(F)F	EMOLS-id_330980277,MCULE-4337882905	352.351	VQENPJRJMYQHTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100179
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1C(F)(F)F	MCULE-3081166420,EMOLS-id_330978229	352.351	ZDAKKVURMRGUFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100180
c1(C(=O)N(C)C)n(CC(F)(F)F)nc2CN(Cc3ccccc3)Cc12	EMOLS-id_324353131,MCULE-5068674047	352.354	MFRWNUFVTWRPKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100181
CCCNc1ccc(cc1NC(=O)c1cnc2n1CCC2)C(F)(F)F	EMOLS-id_318119711	352.354	MXLCPWKECKKJTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100182
CN(Cc1nn(c2c1CN(C2)C(=O)c1ccc(cc1)C(F)(F)F)C)C	PC-id_97413561	352.354	QQENLGFPEHXNSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100183
Fc1c(C[C@@H](N)CC(=O)N2Cc3c(nn(c3C)C)C2)cc(F)c(F)c1	PC-id_56656060	352.354	JWTNXCPJKGFXEI-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100184
Fc1c(CC(N)CC(=O)N2Cc3c(nn(c3C)C)C2)cc(F)c(F)c1	PC-id_76388629	352.354	JWTNXCPJKGFXEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100185
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	PC-id_26872820	352.356	XVFSPGDHUSASMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100186
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC(F)F)ccc1	PC-id_26872759	352.356	OYQFJHYBLXGKEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100187
s1c2CCCc2cc1C(=O)NNC(=O)COc1c(F)cc(F)cc1	PC-id_31901066	352.356	DOACNHSDQBZCII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100188
s1c2c(CCC2)c(c1NC(=O)COc1c(F)cc(F)cc1)C(=O)N	PC-id_38934825	352.356	VWFOZMNQUCGTKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100189
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)C(F)(F)F	PC-id_111020121	352.357	PDKBAKKQEKVKDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100190
CN=C(NCc1nnc2n1CCC2)NCc1cccc(c1)C(F)(F)F	PC-id_111020337	352.357	SZPVBAJWCLILOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100191
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cccnc1OC	PC-id_56759086,EMOLS-id_36613984,ZINC22_67966405,MCULE-1564002246	352.362	YNBMLCSVYHLNME-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-100192
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)Cn1ccccc1=O	PC-id_74231351,MCULE-4046939479,ZINC22_97179505,EMOLS-id_49641508	352.362	OANDJYIXHUJLQP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-100193
Fc1cccc(c1)CNC(=O)c1nc2c(o1)CN(C2)Cc1cccnc1	PC-id_97442818	352.362	AGOGHQMEBIJAIK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-100194
NC(=O)c1c(NC(=O)COC(=O)C2=COCCO2)sc2c1CCC2	CoCoCo_2967958,MCULE-8507129777,PC-id_5134399,EMOLS-id_3158060,ZINC22_4871231	352.362	DAHLPZQDAXBODK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-100195
O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1Cc2nccn2C1	ZINC22_2325859919	352.362	PPUWDQDQMJKYOD-AWEZNQCLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-100196
O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1Cc2nccn2C1	ZINC22_2325859920	352.362	PPUWDQDQMJKYOD-CQSZACIVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-100197
s1c2c(CCC2)c(c1NC(=O)C1=COCCO1)C(=O)NC(=O)OC	PC-id_7521488	352.362	RVLUCMSPUUBXSD-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-100198
CCC(N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C(=O)[O-]	PC-id_69480547,SCHEMBL5539460	352.366	MCJKMTZGJNZGJH-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-100199
Fc1ccc(cc1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cn(n2)C)N	SCHEMBL18376197	352.366	IAZLIDSAUKQXTC-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-100200
Fc1ccc(cc1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cnn2C)N	SCHEMBL18376198	352.366	OQPPJNWYNNBSLO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-100201
O1C(CN2C[C@@H](N(CC2)C(=O)[O-])C(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	PC-id_69635313,SCHEMBL6010771	352.366	IFJVFMLECULWEN-RRKGBCIJSA-M	00000010100010000001000010000000000000000000000000000000	25-01-100202
O1C(CN2C[C@H](N(CC2)C(=O)[O-])C(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	PC-id_69635407,SCHEMBL6010863	352.366	IFJVFMLECULWEN-DTIOYNMSSA-M	00000010100010000001000010000000000000000000000000000000	25-01-100203
O1C(CN2CC(N(CC2)C(=O)[O-])C(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	PC-id_69635305,SCHEMBL6010766	352.366	IFJVFMLECULWEN-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-100204
S(=O)(=O)(NC)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590565	352.369	IJPYHNXDRUNGCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100205
CC1CN(CCN1CC(F)(F)F)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100241029	352.376	NWYHLGHKSHTQQQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100206
CC(C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100225843	352.376	GBANRBDUDFVYRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100207
FC(CN1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_99357430	352.376	VEUWTHPKVSWKSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100208
Fc1cccc(F)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328219255,MCULE-4262572713	352.377	XGIBUUDINOKLKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100209
Fc1ccc(F)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328216957,MCULE-7709659760	352.377	PNYSNBZGWFWZTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100210
Fc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1F	MCULE-4393863864,EMOLS-id_328216701	352.377	UIFOTEVPHWZHNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100211
Fc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(F)c1	EMOLS-id_328218237,MCULE-6000883016	352.377	STNONEHUOPNCCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100212
FC(F)Oc1c(OCC)cc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_75889721	352.379	NTVKWSOOAGJIQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100213
FC(F)Oc1c(OCC)cc(CN[C@H](c2n3CCCc3nn2)C)cc1	PC-id_52640832	352.379	NTVKWSOOAGJIQI-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-100214
FC(F)Oc1c(OCC)cc(CN[C@@H](c2n3CCCc3nn2)C)cc1	PC-id_52640834	352.379	NTVKWSOOAGJIQI-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100215
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)nc(o2)COCC1CC1	PC-id_97406052	352.381	FYGUFMHKGQRBDG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-100216
O=C(Nc1onc2c1CCC2)CCCS(=O)(=O)c1ccc(cc1)F	CoCoCo_5123863,PC-id_16942401	352.381	IEYPNNWNKLBLMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100217
CCOC(=O)C1(Cc2c(C1)ncn2C(=O)OC(C)(C)C)C(=O)OCC	PC-id_15814391,SCHEMBL7827384	352.382	XAXHXKVTQUWGBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100218
COCOC1C[C@@H](c2c1n(CC(=O)OC)nc2C(=O)OCC)CC=C	PC-id_144693619	352.382	WJRJMUGEMWLSMU-PXYINDEMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100219
S1CCn2c1nc(NC(=O)CSc1c(F)cc(F)cc1)c2C#N	PC-id_60323739	352.382	DIHSNWNFGNEQIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100220
CN(Cc1n[nH]c2c1CCC2)C(=O)c1cc(S(=O)(=O)N)ccc1F	ZINC22_91663715,PC-id_72891375,EMOLS-id_46063865,MCULE-4316624678	352.384	YVVDQNMTMVSHMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100221
c1(C(=O)Nc2sc3CCCc3c2C#N)[nH]nc(c2cccc(F)c2)c1	MCULE-8304615566,EMOLS-id_328128926	352.385	ZGDMRBQOBLRANJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100222
COC(=O)c1sc2c(c1)CN(C2)S(=O)c1ccccc1[N+](=O)[O-]	PC-id_144113629	352.385	INNDKMUVTQEFRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100223
s1c2c(CCC2)c(c1NC(=O)c1sc([N+](=O)[O-])cc1)C(=O)OC	PC-id_4180773	352.385	XJEOVXUHJJYJDV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100224
c1(c2CCCc2[nH]n1)C(=O)N1CCOCC(O)(CNC(=O)COC)C1	PC-id_110123004,MCULE-1905567756,EMOLS-id_43281223,BDE-33703523	352.386	ZBCBVQVHFAIXKX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-100225
CC[N+]1(c2c(C(=N1)NC(=O)C1CCC1)sc(c2)C(=O)OC)C(=O)O	PC-id_91504563	352.386	FVFBMVGYFBESSD-UHFFFAOYSA-O	00001011100000000001000010000000000000000000000000000000	25-01-100226
COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_257339290	352.386	ZBCBVQVHFAIXKX-INIZCTEOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-100227
COCC(=O)NC[C@]1(O)COCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_257339291	352.386	ZBCBVQVHFAIXKX-MRXNPFEDSA-N	00000010100000000101000010000000000000000000000000000000	25-01-100228
O=C(N1CCN(CC1)C(=O)OC(C)(C)C)OCC1Oc2n(C1)ccn2	PC-id_141088120	352.386	HYIFUQMWXGJSON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100229
C1Cc2c(C1)[nH]nc2C(=O)NC1CCOCC1Oc1ccc(cc1)C#N	PC-id_91794975	352.387	ABMYEDVXIUXTFD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100230
C1Cc2c(C1)[nH]nc2C(=O)NC1COCCC1Oc1ccc(cc1)C#N	PC-id_91776445	352.387	MAZAVLGZOXUVIM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100231
c1(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(cc2)C#N)c2CCCc2[nH]n1	ZINC22_223618451,EMOLS-id_55703536,MCULE-2388109398	352.387	ABMYEDVXIUXTFD-IAGOWNOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100232
c1(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(cc2)C#N)c2CCCc2[nH]n1	ZINC22_220130526,EMOLS-id_55649431,MCULE-2656469922	352.387	MAZAVLGZOXUVIM-IAGOWNOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100233
Fc1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100215688	352.387	XDSODHDBBPKAFC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-100234
N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_1565513159	352.387	MAZAVLGZOXUVIM-IRXDYDNUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100235
N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_1565529800	352.387	ABMYEDVXIUXTFD-IRXDYDNUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100236
O=c1ccc(c[nH]1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109273	352.387	HKXRBHBQBWAHRM-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-100237
O=c1[nH]cccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109274	352.387	SNPNQCGJOMEZJV-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-100238
O=C(NCCc1nnc2n1CCC2)c1ccc(COc2ccccc2)o1	PC-id_53509989,MCULE-7706414098,EMOLS-id_35706152,ZINC22_42502725	352.387	JLBIRBMQMXOPSI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-100239
CCCNC(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69481782,SCHEMBL5544451	352.389	VZLYKXGNMHLKSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100240
CC(NC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL5544443,PC-id_69481781	352.389	XMEFAKDCCYWCOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100241
C1(=C(NC(=O)NC1c1cccnc1)C)C(=O)NCc1c2CCCc2[nH]n1	EMOLS-id_36453885,MCULE-8665432494,PC-id_56716774	352.39	HYJVRVJDNVPMKI-UHFFFAOYSA-N	00000010100011101001100010000000000000000000000000000000	25-01-100242
c1(C(=O)Nc2n[nH]c(CCc3ccc(cc3)OC)n2)c2CCCc2n[nH]1	ZINC22_95477447,MCULE-1255482432,PC-id_71706506,STOCK7S-41390,EMOLS-id_49406961,EMOLS-id_48564814	352.39	ZTMQOPAUJPCSSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100243
c1(C(=O)NCCn2ccnc2C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316322623,MCULE-2185433140	352.39	SHZGIIQXLAEDEP-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100244
Cc1ccc(c2noc(CCC(=O)NCc3nnc4n3CCC4)n2)cc1	PC-id_47016902,EMOLS-id_30673762,MCULE-9928038816,ZINC22_48276273	352.39	KUVDBWFSKBEFIE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100245
CC1=C(C(=O)NCc2n[nH]c3c2CCC3)[C@H](c2cccnc2)NC(=O)N1	PC-id_95216218,ZINC22_67840053	352.39	HYJVRVJDNVPMKI-INIZCTEOSA-N	00000010100011101001100010000000000000000000000000000000	25-01-100246
CC1=C(C(=O)NCc2n[nH]c3c2CCC3)[C@@H](c2cccnc2)NC(=O)N1	PC-id_95216219,ZINC22_67840054	352.39	HYJVRVJDNVPMKI-MRXNPFEDSA-N	00000010100011101001100010000000000000000000000000000000	25-01-100247
CC(c1noc(n1)Cc1ccc(cc1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319641946	352.39	PJJDYSKVGPGLAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100248
CC(C)c1nc(c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)no1	MCULE-5913915962,EMOLS-id_82702849,PC-id_119059718,ZINC22_426382840	352.39	ZIICJQRAYZKNMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100249
C[C@H]1NC(=NN(c2ccccc2)C1=O)C(=O)Nc1c2c(nn1C)CCC2	ZINC22_363605184	352.39	DAWSHXNYGALEQQ-LLVKDONJSA-N	00000010100011110001100010000000000000000000000000000000	25-01-100250
C[C@@H]1NC(=NN(c2ccccc2)C1=O)C(=O)Nc1c2c(nn1C)CCC2	ZINC22_363605185	352.39	DAWSHXNYGALEQQ-NSHDSACASA-N	00000010100011110001100010000000000000000000000000000000	25-01-100251
COc1ccc(c2cc(=NC(=O)[C@]3(C)CCn4c(C)nnc34)[nH][nH]2)cc1	ZINC22_1875313474	352.39	RQNZJXOVTCZGEN-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100252
COc1ccc(c2cc(=NC(=O)[C@@]3(C)CCn4c(C)nnc34)[nH][nH]2)cc1	ZINC22_1875313475	352.39	RQNZJXOVTCZGEN-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100253
O=C1C(C)NC(=NN1c1ccccc1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_316023228,MCULE-1072371950	352.39	DAWSHXNYGALEQQ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-100254
O=C(c1nn2c(c1)CC(C2)Oc1ccncc1)NCCn1ccnc1C	MCULE-2930045874	352.39	SHZGIIQXLAEDEP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100255
O=C(NCc1n2CCCc2nn1)C1=NN(C(=O)CC1)Cc1ccccc1	PC-id_52626451	352.39	QKKROVZCYLSTGW-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-100256
Cc1cc(cc(NC(=O)NCc2n[nH]c3CCCc23)c1C)n1cnnn1	PC-id_118790688,EMOLS-id_68931493,ZINC22_299799265,MCULE-7081980103	352.394	RSPWBMJPVKICIH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100257
N#Cc1cccnc1N1CCN(CC1)C(=O)NCc1nnc2n1CCC2	MCULE-6443808567,PC-id_121494860,EMOLS-id_177362120	352.394	MMLYZPFILJPJTG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-100258
s1c2CCCc2nc1NC(=O)[C@@H](Oc1c(F)cc(F)cc1)C(C)C	PC-id_52712474	352.399	VOUCJKNOOPMADS-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100259
s1c2CCCc2nc1NC(=O)[C@H](Oc1c(F)cc(F)cc1)C(C)C	PC-id_52712475	352.399	VOUCJKNOOPMADS-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100260
s1c2CCCc2nc1NC(=O)C(Oc1c(F)cc(F)cc1)C(C)C	PC-id_75906671	352.399	VOUCJKNOOPMADS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100261
c1(NC(=O)CN2CCC(CC2)C(=O)O)sc2c(CCC2)c1C(=O)O	PC-id_28866089,MCULE-1996702482,ZINC22_20342417,EMOLS-id_45977150	352.405	RSZWYLANKNCJTK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100262
c1(NC(=O)CN2CCCC(C(=O)O)C2)sc2c(CCC2)c1C(=O)O	MCULE-3206117838,EMOLS-id_179130949,PC-id_84228682	352.405	GPHFLZQEDNWIQI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100263
c1(NC(=O)C(=O)NCC2CCCO2)sc2c(CCC2)c1C(=O)OC	MCULE-4088258491,PC-id_2988438,EMOLS-id_2528783	352.405	OWIPKYOSSYVODA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100264
Cc1cc(nn1CC(=C)N1Cc2c(C1)oc(n2)C)c1cc(c(cc1)F)C	PC-id_89630381,SCHEMBL15033274	352.405	WCVAQLRSBIEVIO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100265
CCOC(=O)/C(=C(/O)C)/N=Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_145974500	352.405	ONOAUZDUIOSOKY-RRDXFJRLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100266
CCOC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#C)C	SCHEMBL17080547,PC-id_118368818	352.405	VBYADMZNFFNSGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100267
CCOC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#C)C	SCHEMBL18520853	352.405	VBYADMZNFFNSGQ-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100268
CCOC(=O)NC(=O)C=C1CSc2n1cc(c2C(=O)OC(C)C)C	PC-id_139819461	352.405	SLFUVTVQJQUPED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100269
COc1ccc(cc1)C(c1ccc(cc1)F)NC1CC(n2c1ncn2)C	EMOLS-id_319044899	352.405	RQUTZIAIYREVGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100270
COC(=O)c1c(NC(=O)C(=O)NC[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_584238,PC-id_7388239,ZINC22_4855439	352.405	OWIPKYOSSYVODA-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-100271
COC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCO2)sc2c1CCC2	ZINC22_4855443,PC-id_7388244,CoCoCo_584239	352.405	OWIPKYOSSYVODA-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100272
COC(=O)c1c(NC(=O)N2CCC(C2)(C)C(=O)O)sc2c1CCC2	PC-id_122087703	352.405	RUJDQEYEESHAHC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100273
COC(=O)c1c(NC(=O)N2CCC(CC2)C(=O)O)sc2c1CCC2	PC-id_122087691	352.405	SIESZJGPTLHKGG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100274
COC(=O)c1c(NC(=O)N2CCCC(C2)C(=O)O)sc2c1CCC2	PC-id_122087700	352.405	CEATUGFVZMSVBI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100275
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H]1OCCC1)C)C(=O)N	PC-id_8729891	352.405	IUEXSWWNYUJDSD-WPRPVWTQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100276
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@H]1OCCC1)C)C(=O)N	PC-id_8729895	352.405	IUEXSWWNYUJDSD-SCZZXKLOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100277
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H]1OCCC1)C)C(=O)N	PC-id_8729901	352.405	IUEXSWWNYUJDSD-WCBMZHEXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100278
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@@H]1OCCC1)C)C(=O)N	PC-id_8729905	352.405	IUEXSWWNYUJDSD-PSASIEDQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100279
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCOCC1)C(=O)N	PC-id_32244498	352.405	DZLPFVVOGUOGRR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100280
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C1OCCC1)C)C(=O)N	PC-id_84823628	352.405	IUEXSWWNYUJDSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100281
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)[O-])C1C[n+]2n(C1)c(nc2[2H])[2H]	PC-id_10617986	352.405	MRMBZHPJVKCOMA-TYUMKMKVSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100282
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1	EMOLS-id_1231049,ZINC22_1104473,MCULE-9373235046,CoCoCo_81791,PC-id_1284345	352.407	DSFHWIBSSXNDDM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-100283
c1(NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C(=O)O	MCULE-1897981035,PC-id_28860344,EMOLS-id_179129587	352.407	QRRYENOYFSGUSO-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-100284
c1(NC(=O)C(=Cc2ccccc2)C#N)sc2c(CCC2)c1C(=O)OC	MCULE-3331371866,PC-id_2788883	352.407	MACTZTWKPKNQNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100285
C(=CC(=O)Nc1sc2CCCc2c1C#N)C(=O)c1cccc(OC)c1	MCULE-7209513069	352.407	AMUHURHXQJUKPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100286
CC(=O)c1ccccc1c1cc(C(=O)Nc2nc3c(s2)CCC3)co1	CHEMBL1821927,PC-id_56672164	352.407	WDGGFKXWOISSFJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-100287
COc1cccc(c1)C(=O)/C=C/C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328264507	352.407	AMUHURHXQJUKPU-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100288
COC(=O)c1ccc(C=CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-8494948552	352.407	GRCNDCHRHBVGME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100289
COC(=O)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327977546	352.407	GRCNDCHRHBVGME-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100290
COC(=O)c1c(NC(=O)/C(=C/c2ccccc2)/C#N)sc2CCCc12	CoCoCo_1750714,PC-id_1561519,EMOLS-id_26501277,ChemDIV3643-3299	352.407	MACTZTWKPKNQNN-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100291
N#Cc1c(NC(=O)COC(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_3044268	352.407	MJPBMGGBKHNDJP-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100292
N#Cc1c(NC(=O)COC(=O)C=Cc2ccccc2)sc2c1CCC2	EMOLS-id_43765308,MCULE-5965223096,PC-id_5122545	352.407	MJPBMGGBKHNDJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100293
N#Cc1c(NC(=O)COC(=O)/C=C/c2ccccc2)sc2c1CCC2	PC-id_1662429,ZINC22_1936063,CoCoCo_3044267	352.407	MJPBMGGBKHNDJP-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100294
N#C/C(=C/c1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_1750715	352.407	MACTZTWKPKNQNN-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100295
O=C(NCc1ccc(Oc2ccccc2)cc1)C1COc2ncsc12	BindingDB_PC-id_78318416,PC-id_78318416,SCHEMBL15903819,BindingDB-id_412897	352.407	FWXYBQGCCJQOSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100296
O=C[C@@H]([C@@H]1NC(=C([C@@H]1C)S[C@H]1C[n+]2n(C1)cnc2)C(=O)[O-])[C@H](O)C	PC-id_49866714	352.409	FXUMZXFCLFWWAR-CNVPUSNMSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100297
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(O)[O-])C1C[n+]2n(C1)cnc2	PC-id_72682768	352.409	ZWULSZNGKIOAFD-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100298
S(C1=C(N2[C@@H]([C@H](C2=O)C(O)C)[C@H]1C)C(O)[O-])C1C[n+]2n(C1)cnc2	PC-id_457413	352.409	ZWULSZNGKIOAFD-XAGUZIBRSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100299
S(C1=C(N2[C@H]([C@H](C2=O)C(O)C)[C@H]1C)C(O)[O-])C1C[n+]2n(C1)cnc2	PC-id_60204987	352.409	ZWULSZNGKIOAFD-PYIFOLIYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100300
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1cc(OC)c(OC)cc1	PC-id_16621890	352.409	NNEPKQNOPBARRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100301
c1(NC(=O)c2ccnc(c2)NC(=O)C2CC2)sc2c(CCC2)c1C#N	EMOLS-id_322821418,MCULE-3349118729	352.41	BUAWXDBYBRNPCW-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-100302
c
(=N/C(=O)Cn2c(=O)ccc(c3ccccc3)n2)/sc2c(CCC2)[nH]1	EMOLS-id_35787002,PC-id_52336565,STOCK7S-14219,EMOLS-id_46559985,ZINC22_51013195,MCULE-5390390033	352.41	RTKWIFQZVWQTJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100303
c1(NC(=O)Cn2c(=O)cnc(c3ccccc3)c2)sc2c(CCC2)n1	EMOLS-id_43037880,ZINC22_72403825,MCULE-5279472988,EMOLS-id_46566965,STOCK7S-27754,PC-id_60180210	352.41	KVTOPNXRSOPNTQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100304
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324872716	352.41	KWTZCEHSFLNRSI-ZROIWOOFSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100305
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)c1	EMOLS-id_324884993	352.41	KZPOVPPQUSLEBV-DHDCSXOGSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100306
Cc1cccc(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)c1C	EMOLS-id_324874767	352.41	IJYSHFDWTGNWAI-DHDCSXOGSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100307
CCc1cccc(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)c1	EMOLS-id_324888077	352.41	KJJKZLWETJDCAY-GDNBJRDFSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100308
CCc1ccc(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1	EMOLS-id_324887044	352.41	JWBLFRMIXXOZPI-GDNBJRDFSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100309
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCCOc1ccccc1	MCULE-2641878144	352.41	LYKUWGKUJVYECB-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100310
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1ccc(cc1)CC	MCULE-7084057091	352.41	JWBLFRMIXXOZPI-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100311
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1c(C)cccc1C	MCULE-1985687478	352.41	KWTZCEHSFLNRSI-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100312
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1cccc(C)c1C	MCULE-6930838304	352.41	IJYSHFDWTGNWAI-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100313
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1cc(C)ccc1C	MCULE-9708222464	352.41	KZPOVPPQUSLEBV-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100314
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1cccc(CC)c1	MCULE-6083366279	352.41	KJJKZLWETJDCAY-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100315
NC(=O)c1c(NC(=O)c2ccc(n3cccn3)cc2)sc2c1CCC2	CoCoCo_3872892,ZINC22_8231683,PC-id_9362257	352.41	PRCXUNDXEYYVIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100316
NC(=O)c1c(sc2c1CCC2)NC(=O)c1cncn1c1ccccc1	EMOLS-id_257866718,PC-id_17399166,CoCoCo_3843739,MCULE-5199967311	352.41	VOLUVNGWPQBVSK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100317
O=c1n2nc(CCCOc3ccccc3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324853498	352.41	LYKUWGKUJVYECB-QINSGFPZSA-N	00000000110000110001000010000000000000000000000000000000	25-01-100318
s1c2CCCc2cc1C(=O)NNC(=O)c1c([nH]nc1)c1ccccc1	PC-id_36221772	352.41	SCTOLCJVWVGVSI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100319
s1c2CCCc2cc1C(=O)NNC(=O)c1n(c2ccccc2)cnc1	PC-id_29764278	352.41	UZZZNOYYIAGHRV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100320
S1CCn2c1nc(c2)CNC(=O)c1c(=O)[nH]c(c2ccccc2)cc1	PC-id_72854775	352.41	ONUQVXGVQXMSKY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-100321
Cc1onc(n1)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184745	352.412	STGJHTLKBGDLIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100322
O=C(Nc1n(C)nc2c1CCC2)CNS(=O)(=O)c1cn(c(n1)C)C	EMOLS-id_98005850	352.412	DLLKXQQTZVISSH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100323
c12SCCn1cc(CNC(=O)c1cnc(nc1c1ccccc1)N)n2	ZINC22_97813786,MCULE-1038953355,PC-id_74250692,EMOLS-id_49680880	352.414	UFJMGHIACYCLEY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100324
c12SCCn1cc(CNC(=O)c1cnc(nc1C)c1cccnc1)n2	EMOLS-id_49646746,PC-id_74233916,ZINC22_97393937,MCULE-8905552477	352.414	NIPXVVQZFTZERT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100325
c1(NC(=O)c2cnc(nc2C)c2cccnc2)n(C)nc2CSCc12	MCULE-6582067223,ZINC22_1529113054,PC-id_134699628,EMOLS-id_316167606	352.414	BEPXZHXYBFNURL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100326
s1c2CCCc2cc1C(=O)NN=C(c1cc(n2nnnc2)ccc1)C	PC-id_85015430	352.414	OFQLCMWKUIHAJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100327
s1c2CCCc2cc1C(=O)N/N=C(c1cc(n2nnnc2)ccc1)/C	PC-id_9462326	352.414	OFQLCMWKUIHAJL-ODLFYWEKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100328
n12N=C(C(C)(C)C)C(=NNc3[n-]nc(C(C)(C)C)c3[N+]#[C-])c1nc(n2)C	PC-id_59702931	352.417	ZSGHMLZPALLXFB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100329
s1nc(nc1N/N=C
/C(=Nn2nc(nc12)C)C(C)C)c1ccccc1	PC-id_59913524	352.417	ZJMJRRJDVUFFCN-UYRXBGFRSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100330
s1nc(nc1NN=C1C(=Nn2nc(nc12)C)C(C)C)c1ccccc1	PC-id_72594693	352.417	ZJMJRRJDVUFFCN-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100331
O(C1C(c2c(oc(c2)CCCCC(=O)OC)C1)CO)C1OCCCC1	PC-id_13216466	352.422	HSLDHWILRFHISV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100332
OC[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC	PC-id_13216467,SCHEMBL10988139	352.422	HSLDHWILRFHISV-BCYRDIKASA-N	00000010100010000000000010000000000000000000000000000000	25-01-100333
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])(C)C)C(=O)OCC	PC-id_25604960	352.425	CWYSNMMNGSMVJZ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-100334
Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)c1occ2c1CCC2	EMOLS-id_320170606,MCULE-7389812278	352.427	WKZBKVZQTFLWDC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-100335
CN(Cc1nn(c2c1CN(C2)S(=O)(=O)c1ccc(c(c1)F)C)C)C	PC-id_97405288	352.427	DZTHAWSBCSCEJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100336
COC(=O)C1CCCN1C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9842374835,EMOLS-id_328337821	352.427	XINGTAFUDZPFSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100337
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC(CC1)C(=O)O	EMOLS-id_328337817,MCULE-8231642487	352.427	METKJAHNFXVBQO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-100338
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCC(C1)C(=O)O	EMOLS-id_328339354,MCULE-6211234339	352.427	SDQFGHYQTMPLOH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-100339
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCCC1C(=O)O	EMOLS-id_328343443,MCULE-6686132516	352.427	OMVHDSPNYUINFX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-100340
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCN1CCCC1	PC-id_9928442	352.427	JNTRLKPSNQGJKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100341
c1(NC(=O)CS(=O)C(C(=O)C)C(=O)C)sc2c(CCC2)c1C#N	MCULE-9742777443,EMOLS-id_320646899	352.429	CVNXOZYNHLKFDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100342
c1(sc2c(CCC2)c1C(=O)N)NS(=O)(=O)c1cccc(OC)c1	ZINC22_6267868,EMOLS-id_233073356,MCULE-6201210114,PC-id_2242986	352.429	QMROVSYMFRPHIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100343
CC(C)(C)OC(=O)N1Cc2c(N)n(nc2C1(C)C)C(=O)OC(C)(C)C	EMOLS-id_317656995	352.429	CTZXAKAGDKUPJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100344
CCOC(=O)n1nc(c2c1C(CC)(CC)N(C2)C(=O)OC(C)(C)C)N	PC-id_138755373	352.429	XSSLRGKSBJTVDY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100345
COc1ccccc1S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_51170110,GD-id_ZINC47214856	352.429	ZXSLXLQTLVMXBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100346
COc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_8473917,EMOLS-id_16774346,CoCoCo_3532677,MCULE-7008086154,GD-id_ZINC07379569	352.429	BDICNXOSOUAYAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100347
COc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N	ZINC22_83962456,EMOLS-id_44513403,PC-id_71904135,MCULE-2115880486	352.429	OTNMLDOCQZDCOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100348
COc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	CoCoCo_3541083,ZINC22_6510603,EMOLS-id_3430837,MCULE-3039758343,PC-id_4795494	352.429	AUCGLDIPDRAFSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100349
COc1ccc(S(=O)(=O)N)cc1NC(=O)c1cc2c(s1)CCC2	EMOLS-id_48209087,ZINC22_53776706,PC-id_51281131,MCULE-6690970879	352.429	RGBNJIYDLKMICT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100350
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCNC(=O)C1)C(=O)OCC	PC-id_2657021	352.429	OMEBPOAWQPOXKY-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-100351
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)C(C)c1ccccc1	MCULE-4171000772,EMOLS-id_168604187	352.43	KTIURQXJCKXENX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100352
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](c2ccc(cc2)C)C1)NC(=O)C	EMOLS-id_43589183,ZINC22_77469822,PC-id_70761064,MCULE-6690346031	352.43	BXVMKOJSGYTIQG-FUHWJXTLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100353
c1(c2CCCc2[nH]n1)C(=O)N1CCN(C(=O)C1C)Cc1ccc(cc1)C	EMOLS-id_32231168,MCULE-1582420571,PC-id_50985362	352.43	CBJXDGMYQLSZAU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100354
c1(CN(C)C(=O)c2ccc(c(c2)NC(=O)C2CC2)C)[nH]nc2CCCc12	PC-id_50955162,MCULE-5466785424,ZINC22_67672999,EMOLS-id_32381484	352.43	RBWBXJJIFNXSFC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-100355
c1(C(=O)N2CCN(C(=O)CC2)Cc2ccccc2C)c2CCCc2[nH]n1	MCULE-7060077593,CoCoCo_1620388,ZINC22_15005272,EMOLS-id_20732491,CoCoCo_1620387,PC-id_26360855	352.43	VWWQFFLXIWSGIA-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-100356
c1(C(=O)Nc2ccc(cc2)NC(=O)C2CCCCC2)c2CCCc2[nH]n1	EMOLS-id_335139470,MCULE-5272497921	352.43	FDAPAZWJIALTMN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100357
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)C1CCCC1	MCULE-6419360712	352.43	LZMFDFSBLPSOAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100358
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)C1CCCC1	EMOLS-id_316320563,MCULE-7931148249	352.43	LZMFDFSBLPSOAQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100359
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)C2(c3ccccc3)CC2)n1	MCULE-8983094259	352.43	RVDITTKUFNJSNX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-100360
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)C2(c3ccccc3)CC2)n1	MCULE-1537391872,EMOLS-id_316326202	352.43	RVDITTKUFNJSNX-HNNXBMFYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-100361
Cc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_316618386	352.43	YYSUINJAPFJMIE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100362
Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)c1cnc2n1CCC2	EMOLS-id_319044720	352.43	IFKAOPPIXLLSIZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100363
Cc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_319287889	352.43	MYMGZKWRKOFSDT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100364
Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_320041493,MCULE-1265938970	352.43	XGWCGSZLNJZPCS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100365
Cc1ccc(CN2CCN(C(=O)c3n[nH]c4c3CCC4)[C@H](C)C2=O)cc1	PC-id_52402108,ZINC22_55414772	352.43	CBJXDGMYQLSZAU-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100366
Cc1ccc(CN2CCN(C(=O)c3n[nH]c4c3CCC4)[C@@H](C)C2=O)cc1	PC-id_52402109,ZINC22_55414773	352.43	CBJXDGMYQLSZAU-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100367
CC1CCN(CC1)C(=O)c1ccccc1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98317458	352.43	RUYXQRPYJDQARY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100368
CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98331249	352.43	FIXNEWKSNOTNMD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100369
CC(=O)N[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1ccc(C)cc1	ZINC22_216584965	352.43	BXVMKOJSGYTIQG-AEFFLSMTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100370
CN1CCC(C1=O)(Cc1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_319491986	352.43	YLZAPWYEJOLDFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100371
Cn1nc2c(c1NC(=O)C1CCN(C(=O)c3ccccc3)CC1)CCC2	EMOLS-id_316846052,MCULE-3732670553,ZINC22_266076119	352.43	TTWXFNSWQDCAIC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100372
O=C1N(CC(C1)C(=O)Nc1n(nc2c1CCC2)C)c1cc(c(cc1)C)C	PC-id_45536847	352.43	LKPNWLJTLDPRPW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100373
O=C(C1CCCCC1)Nc1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100652537	352.43	YYUNMEQORHJVAU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100374
O=C(c1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2)NC1CCCCC1	EMOLS-id_98565790	352.43	CIFRDGKMARBAPO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100375
O=C(N1CCCC1)CCc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	ASN-20280738	352.43	VCKNGHFAHUYMGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100376
O=C(N1CC(C(NC(=O)C)C1)c1ccc(cc1)C)c1n[nH]c2c1CCC2	PC-id_78083786	352.43	BXVMKOJSGYTIQG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100377
O=C(N=c1cc2n([nH]1)CCC2)c1cccc(NC(=O)C2CCCCC2)c1	MCULE-9249455488,PC-id_146077366,ZINC22_1857527574,EMOLS-id_324064367	352.43	NHVNLDPSESKJCG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100378
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)C)n(C)nc2CSCc12	MCULE-9638140749,EMOLS-id_334563767	352.432	RJWCJUAAZPMQEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100379
c1(NC(=O)CSc2cnn[nH]2)c(C(=O)OCC)c2CCCc2s1	MCULE-7161623907,EMOLS-id_46572828,PC-id_71296698,ZINC22_95482019	352.432	LTOCPPYUGOTYCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100380
c1(NC(=O)CSc2n[nH]cn2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2004712,CoCoCo_1007480,ZINC22_6492032,PC-id_2214217,CoCoCo_1007481,MCULE-8480965588,CoCoCo_1007482,ChEMBL-DNDi_CHEMBL7856573	352.432	HTASRGUQBHVCDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100381
Cc1cnc(cn1)CNC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_97407207	352.432	UMTWJBWIOQFNHK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-100382
CC(C)(CNC(=O)OC(C)(C)C)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_43673732,ZINC22_79106471,MCULE-6798591266,PC-id_71852089	352.432	LWJIRWLCUCZQEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100383
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1sc2c(n1)CNC2	PC-id_144742151	352.432	OLOYYQQPWZTSFM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100384
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1sc2c(n1)CNC2	PC-id_144742163	352.432	CBXGSPKLVJDDML-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100385
Cn1nc(c2c1CN(C2)S(=O)(=O)c1cccs1)C(=O)NC1CC1	MCULE-9292753127,EMOLS-id_207862878	352.432	DEBNVAXSOZQWAP-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-100386
CNC(=O)c1ccc(cc1)S(=O)(=O)NCc1cn2CCSc2n1	EMOLS-id_316216401,ZINC22_1506421897,MCULE-8433354178	352.432	NBUSLEGXHLZKSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100387
O=C(N1CCC(C1)N1C(=O)CSC1=O)Cn1ncc2c1CSC2	PC-id_92081872	352.432	BKHROYBTLJENPH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-100388
s1c2c(CCC2)c(c1NC(=O)CSc1n(C)cnn1)C(=O)OC	PC-id_19644081	352.432	SYZKHCFWTBXETN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100389
s1c2CCCc2nc1NC(=O)CSCC(=O)Nc1noc(c1)C	PC-id_33039427	352.432	HOSVRKSRGYEQKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100390
c1(NC(=O)c2cnc(c3cccnc3)s2)sc2c(CCC2)c1C#N	MCULE-5409042795,EMOLS-id_322837178	352.433	UUPNKPIDNGTHSU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100391
Cn1ccnc1COc1ccc(CNCCc2nnc3n2CCC3)cc1	ZINC22_65475459,MCULE-8741797219,PC-id_53507609	352.433	AEAKGLAXYISFPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100392
O=C(c1sc(c2ccncc2)nc1)Nc1c(C#N)c2c(CCC2)s1	MCULE-9178731733,EMOLS-id_322837434	352.433	WOQQABQOSKTFDK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100393
O=C(c1sc(c2ncccc2)nc1)Nc1c(C#N)c2c(CCC2)s1	MCULE-3018817325,EMOLS-id_322836922	352.433	JKCZIQVIPYYKHI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100394
CC(Cn1cnc(c1)S(=O)(=O)Nc1nc2n(c1C#N)CCS2)C	EMOLS-id_99664922	352.435	KGXAJFRTFXIRKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100395
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)C)C(=O)N	PC-id_7631131	352.435	JVWNSVDKZAUXGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100396
C[S@@](=O)c1ccc(NC(=O)NCc2cc3c(s2)CCC3)cc1F	ZINC22_1875262074	352.447	ZTFBKAGXBDICHL-HSZRJFAPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100397
C[S@](=O)c1ccc(NC(=O)NCc2cc3c(s2)CCC3)cc1F	ZINC22_1875262075	352.447	ZTFBKAGXBDICHL-QHCPKHFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100398
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7037978927,EMOLS-id_334388255	352.448	WBIWODICGNQINE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100399
c1(NC(=O)CCOC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334337440,MCULE-2058671376	352.448	XXWIFSXZHMBHKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100400
c1(NC(=O)CN2CCCCC2CCO)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130958,PC-id_84228685,MCULE-5739237467	352.448	HFRSVSRLGOYHMM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100401
c1(NC(=O)CN2CC(C)OC(C)C2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2548195,PC-id_4575295,MCULE-9961198838,TIMTEC193161	352.448	HJKFSURJBPGLBF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100402
CC(C)CC(=O)Nc1sc2c(c1C(=O)OCC(=O)N(C)C)CCC2	MCULE-1542053096,PC-id_16365348,CoCoCo_2898484,ZINC22_9586561,EMOLS-id_3644422	352.448	QZPSCEGUPIJFBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100403
CC(OC(=O)c1c(C)cn2c1SCC2CC(=O)C1CNCCO1)C	PC-id_19903363,SCHEMBL9040052	352.448	YZXIBHBHRKAOCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100404
CC(OC(=O)c1c(C)cn2c1SCC2CC(=O)N1CCOCC1)C	PC-id_67756016,SCHEMBL9040057	352.448	XYOPEXCAQRGUIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100405
COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc2c1CCC2	CoCoCo_1051828,ZINC22_20572403,PC-id_2383897	352.448	HJKFSURJBPGLBF-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100406
COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc2c1CCC2	PC-id_2383892,CoCoCo_1051830,ZINC22_16551987,CoCoCo_1051829	352.448	HJKFSURJBPGLBF-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100407
COC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc2c1CCC2	ZINC22_20572404,PC-id_2383895,CoCoCo_1051831	352.448	HJKFSURJBPGLBF-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100408
O=C(c1occ2c1CCC2)N1CCN(CC1)CC1CCCS1(=O)=O	MCULE-9775266165,EMOLS-id_258147955	352.448	RYUKXYORZLWFJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100409
s1c2c(CCC2)c(c1NC(=O)CN1CCC(O)CC1)C(=O)OCC	PC-id_51171925	352.448	CYQUADGVLPPQRI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100410
s1c2c(CCC2)c(c1NC(=O)CN1CC(OCC1)C)C(=O)OCC	PC-id_51291548	352.448	VZBYLDKEOCKFCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100411
s1c2c(CCC2)c(c1NC(=O)CN1CC(O)CCC1)C(=O)OCC	PC-id_45766861	352.448	YBMWBUNTNZPUMD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100412
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)CCO)C(=O)OCC	PC-id_60509872	352.448	BCDLDMFMBIIBQZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-100413
c1(NC(=O)CCC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	MCULE-3578759264,EMOLS-id_182639492,PC-id_108808018	352.45	PQZLAVQWUFNAGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100414
CCCC1C(NC(=O)C)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_21735852,SCHEMBL9653039	352.45	DAYZBPDLRFBZTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100415
CC(C)(C)C(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328262668,MCULE-5981397881	352.45	PPFFMUFOZULLJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100416
N#Cc1cccc(c1)OC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_98629215	352.45	JNGIBTRHZXEMQA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-100417
c1(NC(=O)C(=O)NCC2CCCO2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617886,MCULE-8509652119,PC-id_18584372	352.452	UXBYAXPANHMFOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100418
c1(NC(=O)NCCCN2CCOCC2)sc2c(CCC2)c1C(=O)N	PC-id_8035145,ZINC22_20573470,STOCK6S-09276,MCULE-3558509099,EMOLS-id_4738586	352.452	WWTRMGGOKAEGQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100419
CC(C)(C)n1nc2c(c1NC(=O)C(=O)NC[C@@H]1CCCO1)CSC2	CoCoCo_5184699,ZINC22_5438187,PC-id_7685515	352.452	UXBYAXPANHMFOA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-100420
CC(C)(C)n1nc2c(c1NC(=O)C(=O)NC[C@H]1CCCO1)CSC2	CoCoCo_5184700,ZINC22_5438192,PC-id_7685516	352.452	UXBYAXPANHMFOA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100421
COCCN1CCN(CC1=O)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005664	352.452	NYMQNHALFAMERJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100422
COCC(=O)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000105	352.452	JNLUSYAMTVPKIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100423
CSCCC(=O)N1CCO[C@H](CNC(=O)c2cnn3c2CCC3)C1	ZINC22_2325860584	352.452	MAHKIXFGTHFVIM-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100424
CSCCC(=O)N1CCO[C@@H](CNC(=O)c2cnn3c2CCC3)C1	ZINC22_2325860585	352.452	MAHKIXFGTHFVIM-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100425
O=C1CCCCN1C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240858	352.452	KYPUFOBSEIAURM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-100426
O=C1CC(CN1C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100235971	352.452	RPFOLOVZNZJYIB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-100427
O=C(C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)NCC1CC1	EMOLS-id_100180223	352.452	GTAJLQCSBAULFJ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-100428
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)CC1CCCS1(=O)=O	MCULE-6725310821,EMOLS-id_319993698	352.452	IOIHSHVHYQOSAV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100429
O=C(N1CC(C1)S(=O)(=O)NC1CC(n2c1ncc2)C)C1CCCC1	EMOLS-id_101318446	352.452	MRKAEGYMTUNNNC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-100430
O=C(N1CCN(C(C1)(C)C)S(=O)(=O)c1cnc2n1CCC2)C1CC1	EMOLS-id_100224160	352.452	VQHQKPKAGSPEGX-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-100431
O=C(N1CCN(CC1)C(=O)C(O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005625	352.452	BNTRGUSEBMIIFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100432
O=C(N(CC(=O)N1CCOCC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002082	352.452	JBDVOANCYBKKIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100433
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CCO)C(=O)N	PC-id_52446656	352.452	BGNBHHLCIMRSOO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100434
s1c2c(CCC2)c(c1NC(=O)CN(CC)CC(=O)NCC)C(=O)N	PC-id_9433137	352.452	BQUJPXDJAHICAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100435
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)C)C)C(=O)N	PC-id_9049369	352.452	NENYAIGPYUNPSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100436
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NCCC)C)C(=O)N	PC-id_9303185	352.452	YGTHTSFFCCUMOG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100437
S1Cc2c(NC(=O)C3CCCC3)n(nc2C1)CC(=O)NCCOC	PC-id_44052975	352.452	MJQWNOWYCVQOSN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100438
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCC(O)CC1	PC-id_7685565	352.452	ZNKYWYLYYITSQU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100439
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)CCC	PC-id_44053110	352.452	XBWVPIQYZIAGQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100440
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)C(C)C	PC-id_44053111	352.452	YTJJNYIXJMIUEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100441
c1(C(=O)Nc2sc3c(CCC3)n2)cc(nn1c1ccccc1)C(C)C	ZINC22_72404917,EMOLS-id_43039805,PC-id_60175979,MCULE-1390428161,STOCK7S-28888,EMOLS-id_46564918	352.453	IEWLPMVTRLXHJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100442
c1(C(=O)NCCc2csc(c3ccccc3)n2)c2CCCc2n(C)n1	PC-id_84465956,EMOLS-id_320482829,MCULE-7400062630	352.453	PYNRLNZTPQIWKU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100443
c1(NC(=O)CC(c2ccccc2)n2cccc2)n(C)nc2CSCc12	MCULE-7556088619,PC-id_110205615,STOCK7S-55313,SPECS-id_AO-022/43512595,EMOLS-id_55728032	352.453	NSBCKUIWUPYBTJ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-100444
Cc1ccc(c2nc(C)sc2CC(=O)N[C@H]2CCn3cncc23)cc1	ZINC22_857990526	352.453	XYRTZCLXLQOFOI-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100445
Cc1ccc(c2nc(C)sc2CC(=O)N[C@@H]2CCn3cncc23)cc1	ZINC22_857990527	352.453	XYRTZCLXLQOFOI-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100446
Cc1nn(c2ccccc2)c(C)c1CC(=O)Nc1nc2c(s1)CCC2	EMOLS-id_43039453,PC-id_60175606,ZINC22_52397382,STOCK7S-28680,MCULE-9966429818,EMOLS-id_46564740	352.453	DZEFCYQPFNSPQN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100447
CCc1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	EMOLS-id_328220793,MCULE-7125492538	352.453	FLUTZMLPSQNFKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100448
C[C@H](c1ccc(n2cncn2)cc1)N(C)C(=O)c1cc2c(s1)CCC2	PC-id_31744284,ZINC22_24330225,CoCoCo_3964299	352.453	BUEZVQGZWYFODA-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100449
C[C@@H](c1ccc(n2cncn2)cc1)N(C)C(=O)c1cc2c(s1)CCC2	PC-id_31744287,ZINC22_24330230,CoCoCo_3964298	352.453	BUEZVQGZWYFODA-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100450
CC(N(C(=O)c1sc2c(c1)CCC2)C)c1ccc(cc1)n1ncnc1	EMOLS-id_25634225,MCULE-5434024097,PC-id_45845733	352.453	BUEZVQGZWYFODA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100451
Cn1nc2c(c1NC(=O)C[C@@H](c1ccccc1)n1cccc1)CSC2	ZINC22_253410762	352.453	NSBCKUIWUPYBTJ-KRWDZBQOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-100452
Cn1nc2c(c1NC(=O)C[C@H](c1ccccc1)n1cccc1)CSC2	ZINC22_253410763	352.453	NSBCKUIWUPYBTJ-QGZVFWFLSA-N	00000010110000110001000010000000000000000000000000000000	25-01-100453
n1c2CCCc2sc1CCNC(=O)c1cccc(c1)Cn1cccn1	ZINC22_65527981,PC-id_50983410,MCULE-9559821868,EMOLS-id_32434762	352.453	IAZFILQXEYOZSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100454
n1(ccnc1c1ccccc1)CC(=O)NCCc1sc2c(CCC2)n1	ZINC22_95521521,PC-id_72908286,MCULE-8279976034,EMOLS-id_48442258	352.453	VSHRDWAXMAVREG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100455
N#Cc1cccnc1N1CCCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_86835587	352.453	JQDXNFJUYOFQCQ-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-100456
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)Cc1cccs1	PC-id_68441238,SCHEMBL2920314	352.453	XCQRLBMZQWENMV-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-100457
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)CCc1cccs1	PC-id_68441911,SCHEMBL2922268	352.453	YCWIGZVXWNJGGS-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-100458
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)Cc1cscc1	PC-id_68439725,SCHEMBL2915743	352.453	UBPUTROPMQVGQR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-100459
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)Cc1cccs1	SCHEMBL2920318,PC-id_68441239	352.453	RYPWDWBUCUWJLK-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-100460
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)Cc1cscc1	PC-id_68439729,SCHEMBL2915747	352.453	IZOAPSNXDSYCAV-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-100461
s1c2CCCc2cc1C(=O)NN=Cc1ccc(N(CCC#N)C)cc1	PC-id_84965647	352.453	UGOWKXCJVCGFSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100462
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C1CCC1	EMOLS-id_330981309,MCULE-2721896296	352.47	HMPAESAMJZKEHI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-100463
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCCC1CCO	MCULE-3059156219,EMOLS-id_328337054	352.47	KQUWMJCSCKFWQF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-100464
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC1CCCCC1O	EMOLS-id_328214906,MCULE-2547826256	352.47	ALPRFNLIVJQRDY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-100465
c1(NC(=S)NC(=O)C2CCCC2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AN-329/42682532,SPECS-id_AN-153/I212169,SPECS-id_AT-084/J171324,EMOLS-id_2037948,PC-id_1248688,MCULE-6363630689,ZINC22_1057816,TIMTEC121155,CoCoCo_530003	352.472	DGTICQVCEWJYEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100466
s1c2c(CCC2)c(c1NC(=O)CCN1CC[NH+](CC1)C)C(=O)OC	PC-id_28439177	352.472	FYWWNBPHBMMFTL-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-100467
s1c2c(CCC2)c(c1NC(=O)CC[NH+](CCOC)CCOC)C#N	PC-id_52370882	352.472	HHIDDLUXOWKSRV-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-100468
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1C[C@H](O[C@H](C1)C)C)C)C(=O)N	PC-id_9249134	352.472	DLZWDLUFQDGECU-AXFHLTTASA-O	00000010100010000001000010000000000000000000000000000000	25-01-100469
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1C[C@@H](O[C@H](C1)C)C)C)C(=O)N	PC-id_9249136	352.472	DLZWDLUFQDGECU-DCAQKATOSA-O	00000010100010000001000010000000000000000000000000000000	25-01-100470
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1C[C@H](O[C@@H](C1)C)C)C)C(=O)N	PC-id_9249138	352.472	DLZWDLUFQDGECU-MXWKQRLJSA-O	00000010100010000001000010000000000000000000000000000000	25-01-100471
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)OCC	PC-id_51600439	352.472	MXUOVNSVIWJCCE-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-100472
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CC(OC(C1)C)C)C)C(=O)N	PC-id_84963238	352.472	DLZWDLUFQDGECU-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-100473
s1c2c(CCC2)c(c1NC(=S)NC(=O)C1CCC1)C(=O)OCC	PC-id_49960890	352.472	LIMXZJRJAKMVHI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-100474
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)NC)Cc1ccccc1	EMOLS-id_324351087,MCULE-8725620386	352.473	YZJPNIVPEDOUJS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100475
c1(c2CCCc2[nH]n1)C(=O)N1CCCCC1c1ccc(cc1)CN(C)C	PC-id_70751051,MCULE-3852878567,EMOLS-id_43582869	352.473	FSJLCIISMWAYAY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100476
c1(CN(C)C(=O)c2ccc(cc2)CN2CCCCC2)c2CCCc2[nH]n1	PC-id_72902510,ZINC22_95519661,MCULE-1593744123,EMOLS-id_48437396	352.473	HPUQOPINDLSDAI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100477
c1(C(=O)N2CCC(CC2)Cc2ccccc2)cc2n(C[C@@H](N(C)C)C2)n1	MCULE-5918758346,EMOLS-id_316327224	352.473	HXIXGOOPPDENRQ-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-100478
c1(C(=O)N(C)C)n(CC2CCCC2)nc2CN(Cc3ccccc3)Cc12	EMOLS-id_324351851,MCULE-4301344605	352.473	FEIFZBHSXQZMDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100479
c1(C(=O)NN=C(C)c2ccc(cc2)CCCCCC)c2CCCc2[nH]n1	PC-id_2857460,MCULE-2436992485	352.473	BMPKOXSAQXZPCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100480
Cc1ccc(cc1)CC(=O)N1Cc2c(C1)c(nn2C)CN1CCCCC1	PC-id_97519215	352.473	JYLSWUZNRGZEKP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100481
Cc1ccc(cc1C)C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	EMOLS-id_44369802,PC-id_97519216,ZINC22_96259127	352.473	QBQXDVWITWBSTO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100482
CC1CCCCN1Cc1ccccc1CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98072326	352.473	JFAXTLFYFMTWSB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100483
CC1CCCN(C1c1ccc(cc1)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579193	352.473	IDCVOXUVIOSLNY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100484
CC1CCCN(C1)Cc1ccccc1CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98060327	352.473	AZDKCPLRQGENQY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100485
CC1CCN(CC1)Cc1cccc(c1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_97995836	352.473	RNIDOCAIVSHGHC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100486
CC1CCN(CC1)Cc1ccccc1CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98072269	352.473	YJEVPLHHCQUURZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100487
CC1CCN(CC1)CCc1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98615166	352.473	JBFJZIXXFUMXRO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100488
CC1CC(NC(=O)NC2CC(n3c2ncc3)C)CC(C1)c1ccccc1	EMOLS-id_101703638	352.473	XULDYXADUPGQKZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100489
CC1CN(CC(C1NC(=O)c1n[nH]c2c1CCC2)C)Cc1ccccc1	EMOLS-id_100099413	352.473	PCYHFYAFTKFDCI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100490
Cc1nc(c2n1C(=O)N(C2)CCC1CCN(CC1)Cc1ccccc1)C	PC-id_23138259,SCHEMBL3448983	352.473	AOVWOHOJACISNY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100491
CCc1ccc(cc1)C1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422866	352.473	PMSUZZLIUVHWMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100492
CC(c1ccc(c(c1)C)C)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	ASN-20330460	352.473	IEVOXHVLKGCXSA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100493
CCC1CN(CCC1c1ccccc1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417133	352.473	PTYNHGHMVWCKDV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100494
CC(c1nn2c(c1)CCC2)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	EMOLS-id_319296257	352.473	WMMUXIJHQGLZMI-JCNKGUCWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100495
CC(C)c1ccc(NC2CCCN(C2)C(=O)c2[nH]nc3CCCc23)cc1	BindingDB-id_152394,CHEMBL1477862,Chemmine_39779,BindingDB_PC-id_24793015,PC-id_24793015,ChEMBL-DNDi_CHEMBL1477862	352.473	INUCQECVSWENKN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100496
CCCC1CN(CCN1Cc1ccccc1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98805623	352.473	FYFGJKMXRNMTDE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100497
CCCCCCc1ccc(cc1)/C(=NNC(=O)c1[nH]nc2c1CCC2)/C	CoCoCo_57354,PC-id_5724331,CoCoCo_57352	352.473	BMPKOXSAQXZPCM-JCMHNJIXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100498
CCCCCCc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c2CCCc12)/C	PC-id_9566848,SPECS-id_AG-690/10115008,EMOLS-id_25786307,CoCoCo_57351,CoCoCo_57353	352.473	BMPKOXSAQXZPCM-PXLXIMEGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100499
CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2	ZINC22_2055718134	352.473	ZPYMUPFKBHFJIR-NRFANRHFSA-N	00000010110011000001000010000000000000000000000000000000	25-01-100500
CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2	ZINC22_2055718135	352.473	ZPYMUPFKBHFJIR-OAQYLSRUSA-N	00000010110011000001000010000000000000000000000000000000	25-01-100501
CC(C)n1nc(Cn2cccc2)c2CN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313734098	352.473	ZPYMUPFKBHFJIR-UHFFFAOYSA-N	00000010110011000001000010000000000000000000000000000000	25-01-100502
C[C@@H]1CCCN(C1)Cc1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_95137490	352.473	OCGUHRVIVXWSQT-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100503
C[C@H]1CCCN(C1)Cc1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2	PC-id_95137491	352.473	OCGUHRVIVXWSQT-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100504
CN(C1CCCCC1)Cc1ccccc1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98165980	352.473	HAVLIDIGLKQCBI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100505
CN(C1Cn2c(C1)cc(n2)C(=O)N1CCC(CC1)Cc1ccccc1)C	MCULE-6811544979	352.473	HXIXGOOPPDENRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100506
CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)cc1	PC-id_96397882,ZINC22_77436785	352.473	FSJLCIISMWAYAY-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-100507
CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_77436787,PC-id_96397883	352.473	FSJLCIISMWAYAY-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100508
O=C(c1[nH]nc2c1CCC2)N1CCC[C@H](C1)Nc1ccc(cc1)C(C)C	CoCoCo_1295947,PC-id_25274331,CoCoCo_1295945	352.473	INUCQECVSWENKN-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100509
O=C(c1[nH]nc2c1CCC2)N1CCC[C@@H](C1)Nc1ccc(cc1)C(C)C	PC-id_25274332,CoCoCo_1295948,CoCoCo_1295946	352.473	INUCQECVSWENKN-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100510
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1ccc(cc1)C(C)C	EMOLS-id_98371273	352.473	DDXHHFLQSHDKDG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100511
O=C(c1n[nH]c2c1CCC2)NCc1cccc(c1)CN1CCCCCC1	EMOLS-id_318280613	352.473	WMKLJTWQVDQVIA-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-100512
O=C(c1n[nH]c2c1CCC2)NCc1ccc(cc1)CN1CCCCCC1	EMOLS-id_98433429	352.473	RFVUTNDYVXMXDI-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-100513
O=C(N1CCCCC1c1cccc(c1C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101579145	352.473	HCRDJEMIOJBKNA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100514
O=C(N1CCCC(CC1)(C)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101422836	352.473	DVEVRNQZBLQYDN-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-100515
O=C(N(C1CCCCC1c1ccccc1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101702312	352.473	MQPPEJJVOPWVMD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100516
O=C(Nc1ccc(CCCN2CCCC2)cc1)c1nn(c2CCCc12)C	PC-id_84467389	352.473	OEQVHBCOHKGZTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100517
O=C(Nc1n(nc2c1CCC2)C)c1ccc(CN2CC(CCC2)C)cc1	PC-id_50976025	352.473	OCGUHRVIVXWSQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100518
O=C(N(Cc1n2CCCc2nn1)C)C1(CC1)c1ccc(cc1)C(C)(C)C	PC-id_52600676	352.473	PCTMQQULCWSICT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-100519
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)Cc1ccc(cc1)C#N	PC-id_9466301	352.473	RCDFCWHGTGGTKU-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-100520
Cc1cnc(s1)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100799570	352.475	LTQBJPKXDPQKNR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-100521
Cc1csc(n1)C1(CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176335	352.475	ZRMAFMLYMRLUJG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-100522
CC(C)(C)c1ccc(cc1)S(=O)(=O)CC1CSc2nnc(N)n12	MCULE-4803593992,EMOLS-id_29389052,SPECS-id_AP-853/43445393,SPECS-id_AP-853/J242379,PC-id_44123287	352.475	YDRAGDZXHPBBPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100523
CC(C)(C)c1ccc(S(=O)(=O)C[C@@H]2CSc3nnc(N)n23)cc1	CoCoCo_6778332,CoCoCo_6778336,CoCoCo_6778330,CoCoCo_6778333,ZINC22_35670671,PC-id_51698912,CoCoCo_6778337	352.475	YDRAGDZXHPBBPI-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-100524
CC(C)(C)c1ccc(S(=O)(=O)C[C@H]2CSc3nnc(N)n23)cc1	PC-id_51698913,ZINC22_35670673,CoCoCo_6778329,CoCoCo_6778338,CoCoCo_6778331,CoCoCo_6778335,CoCoCo_6778334	352.475	YDRAGDZXHPBBPI-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100525
CCCCOCCOCCNC(=NCc1nnc2n1CCC2)NCC	PC-id_111499173	352.475	UGOBHUKIZLCNBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100526
CN(S(=O)(=O)c1ccccc1NCCc1cn2c(n1)SCC2)C	EMOLS-id_318120823	352.475	DWRVLQQAEWBRCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100527
O=C(C1CSCN1C(=O)c1n[nH]c2c1CCC2)N1CCSCC1	EMOLS-id_110715546	352.475	QYBBDIGQUKMJQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100528
O=S(=O)(c1cnc2n1CCC2)Nc1ncc(s1)C1CCCCC1	EMOLS-id_97700501	352.475	XZKURDPUVPEULU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-100529
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CC[NH+](CC1)C	PC-id_7685579	352.475	MWWLTSKTLCRNNK-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-100530
CCN(c1ccc(c(c1)C)N=C1C(=Nn2c1nnc2C(C)(C)C)C)CC	PC-id_60134325,SCHEMBL13308374	352.477	JJXOXIYMSBJXRU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100531
CCN(CC)c1cc(c(cc1)N=c1c(=C)[nH]n2c1nnc2C(C)(C)C)C	PC-id_91079144	352.477	PKJBTTBUQJPBOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100532
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)Cc1ccccc1	PC-id_111724723	352.477	MBLWNQOMHCTULR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100533
CCNC(=NCc1nnc2n1CCC2)NCC1(CCC1)c1ccccc1	PC-id_111020569	352.477	VSUMZCHYZKPLJX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-100534
CN=C(N1CCC(C(C1)C)c1ccccc1)NCc1nnc2n1CCC2	PC-id_109544390	352.477	WLKKHGIMVOAELA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100535
CN=C(N1CCC(CC1)Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_111152420	352.477	KGPSUBHSLIBSPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100536
CN=C(NCc1nnc2n1CCC2)NCC1(CCCC1)c1ccccc1	PC-id_111020559	352.477	JDSCDNFPDHCZAF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100537
c1(NC(=O)CC(C)(C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2290044144,EMOLS-id_334385436	352.492	GCHRFOQBZUICHD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100538
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)c(F)cc1	PC-id_60763779	353.19	NYKBLRYQIOIEJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100664
c1(NC(=O)CN(CC(C)C)CC(C)C)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130943,PC-id_28866066,MCULE-5131350541	352.492	UFLOHCYJCOUNSI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100539
c1(NC(=O)CN(CCC)CCC)sc2c(CCC2)c1C(=O)OCC	MCULE-1631037965,ZINC22_4189113,ChEMBL-DNDi_CHEMBL4488-1600,PC-id_2859832,EMOLS-id_43358281	352.492	YLEDQNKIQBPUAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100540
CCOC(=O)c1c(NC(=O)CCCCCN(C)C)sc2CCCc12	EMOLS-id_328143249,MCULE-8196431319	352.492	UFFSORITWOAXLC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100541
CCCC1(C)C(NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_9798610,SCHEMBL9581117	352.493	JDENJVMZAFTYAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100542
CCCC1(CN(C)C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_19759874,SCHEMBL9711076	352.493	XILOCARSJSZNCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100543
CCCNC1c2cc(sc2S(=O)(=O)C1CCC)S(=O)(=O)N	SCHEMBL9651698,PC-id_21735834	352.493	GEDXVPPIBKZAEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100544
CC(CNCC1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	SCHEMBL9711162,PC-id_19759888	352.493	MACGJEVHBFGCCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100545
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C/C=C/c1ccccc1	PC-id_78768397	352.493	WSWOJCZLCPCTFG-VMPITWQZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100546
S1(=O)(=O)C(Cc2c1sc(S(=O)(=O)N)c2)(CN(CC)CC)C	PC-id_19759917	352.493	BTPJMSBXBRSBEN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100547
CC1(c2nn(c(c2CN1)NCC(=O)C1(CCC1)S(C)(C)C)C=O)C	SCHEMBL20060449,PC-id_134426837	352.495	KRSNRMLJUOMWOO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-100548
CC(C1CCCN(C1)C1CCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224100	352.495	HFJDPAQTEXOPID-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-100549
CC(CN1CCN(C(C1)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C)O	EMOLS-id_102007347	352.495	VFQTXZULCFKQJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100550
CC(C)n1nc(CN2CCCCC2)c2c1CN(S(=O)(=O)C1CC1)C2	ZINC22_2055719505,EMOLS-id_313737173	352.495	YEUNTTUIKGOQCA-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-100551
Cn1nc(c2c1CCC2)CN(S(=O)(=O)N1CCCC1)C1CCCC1	PC-id_92110082	352.495	VQGUTRPZNKTGJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100552
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(N1CCOCC1)(C)C	EMOLS-id_101999949	352.495	JBQOWVAYGAFSDW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100553
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCN1CCOCC1(C)C	EMOLS-id_102001965	352.495	WSPMQQCFCQXVJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100554
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCN1CCOC(C1)(C)C	EMOLS-id_102001998	352.495	QUVJEPLLFLHTNR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100555
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC(C(N1CCOCC1)C)C	EMOLS-id_102002013	352.495	FRYXBSAODBEUTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100556
O=C(NC(CN1CCOCC1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102012709	352.495	ZSVDVPUXXUKKEG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100557
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC2CCCCC2)CC1	MCULE-8469215273,EMOLS-id_100190619,ZINC22_330010956	352.495	HLJLDPIUKOFUJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100558
O=S(=O)(c1cnc2n1CCC2)NC1CCN(CC1)C1CCCCC1	EMOLS-id_100231132	352.495	YVNFLULPFGDPES-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-100559
O=S(=O)(c1cnc2n1CCC2)NCC1CCCN1C1CCCCC1	EMOLS-id_100934100	352.495	DNOYXUAAZUPAJM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-100560
s1c2c(CCC2)c(c1NC(=O)CSCc1sccc1)C(=O)N	PC-id_3462326	352.495	WEXYSMWKRRFEOL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100561
s1c2c(CCC2)c(c1NC(=S)NCc1sccc1)C(=O)OC	PC-id_19653587	352.495	VKFKDLXEQKLPCU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100562
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N(CCC)CCC	PC-id_7685558	352.495	ODEPPKDSLFXTGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100563
CCc1ccc(cc1)CNc1n[nH]c2c1SC(=N/C(=CC(=C)C)/C)C2	PC-id_144555934	352.496	GOZWXWFHMOAZDH-JEGSZOCCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100564
C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nc2c(s1)CCC2	ZINC22_560590370	352.496	PBAFWGXHJWCOOL-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100565
C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nc2c(s1)CCC2	ZINC22_560590371	352.496	PBAFWGXHJWCOOL-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100566
N#Cc1ccc(cc1)N1CCC(CC1)NC(c1sc2c(n1)CCC2)C	MCULE-9539461948,EMOLS-id_316190755	352.496	PBAFWGXHJWCOOL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100567
CN=C(NC1CCCC(C1)S(=O)CC)NCc1nnc2n1CCC2	PC-id_109438909	352.498	CHSKJWINTJJBTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100568
CC(C)(C)CC(C)(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213621,MCULE-9424866077	352.513	JLUVAVCZLUDQGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100569
CCCCCCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1696284186,EMOLS-id_328216435	352.513	AFHZYXSNLUGPRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100570
CCCCN(CCCC)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338076,MCULE-6864788229	352.513	HVXTWZDBZDDRPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100571
CC(C)CN(CC(C)C)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8795517062,EMOLS-id_328342163	352.513	ITSUYICBQYQMTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100572
c1(NC(=O)CS(=O)CCCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320645875,MCULE-5442401570	352.515	ZAINIINFBTUFQD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100573
c1(NC(=S)NC2CCCCC2)sc2c(CCC2)c1C(=O)OCC	MCULE-4929214785,ZINC22_6680496,BAS-00700462,PC-id_2861811,CoCoCo_119214,TIMTEC300318,EMOLS-id_1263332	352.515	LYSYDKGDFQKCFZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100574
s1c2c(CCC2)c(c1NC(=S)N1C(CCCC1C)C)C(=O)OC	PC-id_17299029	352.515	JRNFQTSFGHOEPA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100575
s1c2c(CCC2)c(c1NC(=S)N1CC(CC(C1)C)C)C(=O)OC	PC-id_19654099	352.515	MSYLBNQCEBRGJR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100576
s1c2c(CCC2)c(c1NC(=S)N1C(CCCC1)CC)C(=O)OC	PC-id_19654756	352.515	MNZOSAHBDSLLDG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100577
s1c2c(CCC2)c(c1NC(=S)NC1C(CCCC1)C)C(=O)OC	PC-id_19652607	352.515	BQBPEBAYXKVBBL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100578
s1c2c(CCC2)c(c1NC(=S)NC1CCC(CC1)C)C(=O)OC	PC-id_20179756	352.515	VHLVRYSTHQYTAT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100579
s1c2c(CCC2)c(c1NC(=S)NC1CCCCCC1)C(=O)OC	PC-id_17264025	352.515	USYFCCKKWFEDAH-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-100580
s1c2c(CCC2)c(c1NC(=S)N[C@H]1[C@@H](CCCC1)C)C(=O)OC	PC-id_8748254	352.515	BQBPEBAYXKVBBL-ZYHUDNBSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100581
s1c2c(CCC2)c(c1NC(=S)N[C@H]1[C@H](CCCC1)C)C(=O)OC	PC-id_8748262	352.515	BQBPEBAYXKVBBL-CMPLNLGQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100582
s1c2c(CCC2)c(c1NC(=S)N[C@@H]1[C@@H](CCCC1)C)C(=O)OC	PC-id_8748263	352.515	BQBPEBAYXKVBBL-PWSUYJOCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100583
s1c2c(CCC2)c(c1NC(=S)N[C@@H]1[C@H](CCCC1)C)C(=O)OC	PC-id_8748269	352.515	BQBPEBAYXKVBBL-JQWIXIFHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-100584
O=C(N(C(C)(C)C)CCNCc1sc2c(c1)CCC2)OC(C)(C)C	PC-id_113960311	352.535	SZDOJXSIGNEDLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100585
O=C(OC(C)(C)C)NCC(C(C)C)CNCc1sc2c(c1)CCC2	PC-id_113959855	352.535	ZUPFJFPNWVVKAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100586
ClC(Cl)(Cl)c1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324913670	352.647	RQDFXZPQCLHKMX-UTCJRWHESA-N	00000000100100000001000010000000000000000000000000000000	25-01-100587
n12c(=O)c(=Cc3ccsc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-9654248011	352.647	RQDFXZPQCLHKMX-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-100588
c12CN(Cc1sc(Br)c2CCl)C(=O)OC(C)(C)C	EMOLS-id_331065124,MCULE-8096919503	352.675	YUCSPVMHGNMINH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100589
c12CN(Cc1sc(Cl)c2CBr)C(=O)OC(C)(C)C	MCULE-1056196417,EMOLS-id_331064357	352.675	MUSLULSMZWNEJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100590
C1C(Oc2nc(cn12)[N+](=O)[O-])CNC(=O)OCc1ccc(cc1)Cl	PC-id_91486507	352.73	GFNJPLSVJIWGOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100591
Clc1ccc(cc1)CN(C(=O)O)CC1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_141088080	352.73	JETZXXCCHGNLLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100592
Clc1ccc(NC(=O)OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_23081124,SCHEMBL5542983	352.73	UBIXBGKJHAWMAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100593
Clc1ccc(NC(=O)OCCC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	SCHEMBL5542891,PC-id_23081465	352.73	RDZGAOUZNFOXHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100594
COCc1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324899333	352.753	CIPAQENRMHZLRS-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100595
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COC	MCULE-2762701634	352.753	CIPAQENRMHZLRS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100596
CC1(c2c(C(=O)O1)nc(s2)NC(=O)c1c(ccc(c1)Cl)OC)C	PC-id_87519343,SCHEMBL3387385	352.793	JRRQVWYTQVHPQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100597
CC1(c2nn(c(c2CN1C(=O)Cl)NC(=O)c1cccs1)C=O)C	PC-id_89803989,SCHEMBL15256587	352.796	WOPCENXLDXFLAX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-100598
c1(NC(=O)c2c(cccc2Cl)F)sc2c(CCC2)c1C(=O)NC	MCULE-1951395931,EMOLS-id_334334163	352.811	MSBQQGWOYLKVJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100599
Clc1c(CC(=O)NNC(=O)c2sc3CCCc3c2)c(F)ccc1	PC-id_27684446	352.811	UKXFNXNGHYDJOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100600
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)N)c(F)ccc1C	SCHEMBL8288830,PC-id_60001296	352.811	UEBCQWCSBPQDPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100601
CC(C#N)Oc1cc(/N=c/2snc3n2CC(C3)C)c(cc1Cl)F	SCHEMBL10548931,PC-id_13730634	352.814	YVZFICOTUUARRM-CYVLTUHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100602
Clc1c(OC(C)C#N)cc(/N=c/2snc3n2C(CC3)C)c(F)c1	SCHEMBL10547838,PC-id_21270666	352.814	BMIHYJUPNDLOAO-CYVLTUHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100603
N#CC(Oc1cc(N=c2snc3n2C(C)CC3)c(cc1Cl)F)C	SCHEMBL10547842	352.814	BMIHYJUPNDLOAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100604
C/C=CC=N/c1c(C(=O)Nc2ccc(cc2)Cl)n2c(c1C#N)CCC2	CoCoCo_5763434	352.817	OGKZDILYMJVWKM-ZPVUTVICSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100605
C/C=C/C=Nc1c(C(=O)Nc2ccc(cc2)Cl)n2c(c1C#N)CCC2	CoCoCo_5763435	352.817	OGKZDILYMJVWKM-CVVVMZPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100606
C/C=CC=Nc1c(C(=O)Nc2ccc(cc2)Cl)n2c(c1C#N)CCC2	CoCoCo_5763436	352.817	OGKZDILYMJVWKM-HEPFNNDASA-N	00000010100000110000000010000000000000000000000000000000	25-01-100607
C/C=C/C=N/c1c(C(=O)Nc2ccc(cc2)Cl)n2c(c1C#N)CCC2	PC-id_5470029,CoCoCo_5763433,NSC696790	352.817	OGKZDILYMJVWKM-KTWYXVPMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100608
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68441741,SCHEMBL2921853	352.817	DLQKEQMSXKIFRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100609
Clc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2915163,PC-id_68439499	352.817	WZWNEOSIEJULOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100610
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2919841,PC-id_68441085	352.817	UFKQSTAXMVPZPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100611
Clc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nn1	EMOLS-id_328223092,MCULE-5262664361	352.817	ZCGMTYBPJBKYRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100612
Clc1ccc(NC(=O)c2n3CCCc3c(c2/N=C/C=CC)C#N)cc1	PC-id_393863	352.817	OGKZDILYMJVWKM-NNPILDTQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100613
Clc1cc(C(=O)Nc2sc3CCCc3n2)cc(OC)c1OCC	PC-id_33039106	352.836	DRUQSKLJMGFOQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100614
ClCCCOc1ccc(cc1)N(C1CCc2c1ncs2)C(=O)O	PC-id_69018214,SCHEMBL4367166	352.836	XJNVVHHEQWVQBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100615
c1(C#N)c2CCCc2sc1N=Cc1ccc(c2ccccc2Cl)o1	PC-id_1042107,MCULE-4060845261	352.837	RZKVJOOKVABGDB-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-100616
c1(C#N)c2CCCc2sc1/N=C/c1ccc(c2ccccc2Cl)o1	ZINC22_714747,PC-id_9600242,CoCoCo_1938667,SPECS-id_AG-205/37049010,TIMTEC440701,EMOLS-id_26770241,MCULE-1537231623	352.837	RZKVJOOKVABGDB-SSDVNMTOSA-N	00000010101000110000100010000000000000000000000000000000	25-01-100617
Clc1ccc(c2oc(C=Nc3sc4CCCc4c3C#N)cc2)cc1	PC-id_50885844	352.837	PSLYCJMOPHPBJV-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-100618
N#Cc1c(/N=Cc2ccc(o2)c2ccccc2Cl)sc2c1CCC2	CoCoCo_1938668	352.837	RZKVJOOKVABGDB-JJFYIABZSA-N	00000010101000110000100010000000000000000000000000000000	25-01-100619
Clc1cc(CNC(=O)c2sc3CN(Cc3c2)C(C)C)ccc1F	PC-id_53171074	352.854	NQXXNAPZONEXQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100620
Clc1c(CNC(=O)c2sc3CN(Cc3c2)C(C)C)ccc(F)c1	PC-id_53171014,EMOLS-id_32995580,MCULE-4335234422	352.854	ZCPOSKOJTPXZOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100621
Brc1cc(F)c(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_60763896	353.19	TZSXYFYTIVNSKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100665
OCC1CCC(CC1)(F)CCC1C(=C(c2n1cnc2)C)/C(=CC)/Cl	PC-id_142610990	352.874	MNTRKBFYVJNNPH-CRKCGEKBSA-N	00000011100010000001000010000000000000000000000000000000	25-01-100622
CCCN1C(=O)C2=C(SC(=C2C1=O)I)S	PC-id_164039702	352.904	VPCDLSQXOXAAJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100623
[Te]1C(=Nc2sccc12)CNC(=S)NCC	PC-id_86150780	352.934	COTDKMZLRBXBLX-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-100624
[B]C1=C2C(=C(S1)Br)C(=O)N(C2=O)CCCCCCCC	PC-id_163945819	353.026	RULSBBRUILVJKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100625
Brc1sc2C(NC(=O)CBr)CC(=O)c2c1	PC-id_11638915	353.03	NUXNDBAIZRXPLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100626
Brc1scc2c1C(NC(=O)CBr)CC2=O	PC-id_11588389	353.03	HHZQAOPRDAJAAQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100627
CC(C1[C@@H]2N(C1=O)C(=C(S2)SC3CCN4C3=NC=C4)C(=O)O)O	PC-id_153880784	353.05	YOPWAVFPGZSUOY-TXWMFKHYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100628
CC(O)OC(=O)C1=C(S[C@H]2N1C(=O)C2)SC3CC4=NC=CN4C3	PC-id_153880785	353.05	QUXVZLJVKVWSRC-OIAXGBPSSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100629
CC1=C(SC(=C1C(C)C)C(=O)N[C@H]2CCC3=C2C=C(S3)Cl)C	PC-id_155135521	353.067	HALOWAGAEOBPSS-LBPRGKRZSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100630
CC1=C(SC(=C1C(C)C)C(=O)N[C@@H]2CCC3=C2C=C(S3)Cl)C	PC-id_155135523	353.067	HALOWAGAEOBPSS-GFCCVEGCSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100631
Clc1sc2CCC(Nc3c(Cl)cc(Cl)cc3Cl)c2c1	PC-id_81252381	353.094	SYKJZUHNPNYIGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100632
Clc1sc2CCC(Nc3c(Cl)cc(Cl)c(Cl)c3)c2c1	PC-id_81251585	353.094	KARKIURFUWQJQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100633
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C(=C3)F)F)F)NC(=O)O	PC-id_150245959	353.099	FYNATNKSXZVBHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100634
CC(C)N1C=C(C=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)C(C)O	PC-id_164931952	353.116	NIAXSBOBXPBCRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100635
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)SC3=CN(N=C3)CCF	PC-id_164872003	353.132	WPYKFZPCRKSAAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100636
CC1=CC(=NN1CC(=O)N2CC3=C(C2)OC(=C3)C)C4=CC(=C(C=C4)F)C	PC-id_152801289	353.154	SNPNNTNSHOSTKB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100637
CCC(C1=CC=CC=C1)C(=O)N2CC3=CN(N=C3C2)S/C(=C/C)/C=C	PC-id_164872089	353.156	QDQXSWJQXFOXCP-YAXRCOADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100638
c1(C(=O)Nc2ccc(cc2)I)c2CCCc2[nH]n1	MCULE-8508947136,EMOLS-id_335087007	353.158	WMSFMWUNFYCAPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100639
Cc1cc(nn1CC(=O)N1Cc2c(C1)nc([nH]2)C)c1cc(c(cc1)F)C	PC-id_163985156	353.165	TVQKZXUFODJUFK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100640
CC1=CC(=C(C(=C1)OC)OC)C2=NC=CN2CC3CC4=NN=C(N4C3)C	PC-id_165426234	353.185	WVIZBZJEXZMOGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100641
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(Br)ccc2F)n1	EMOLS-id_330989552,MCULE-1828167272	353.186	HZOQBTKQQCVVPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100642
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(Br)cc(F)c2)n1	MCULE-4406029534,EMOLS-id_330985969	353.186	DPLJKOBCQRUZEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100643
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(Br)c2F)n1	EMOLS-id_330985713,MCULE-2653370318	353.186	HDLWUNDIWPFIID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100644
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(Br)c2)F)n1	MCULE-7854194036,EMOLS-id_330989296	353.186	QJHVASUOCNZSIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100645
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2Br)F)n1	EMOLS-id_330987249,MCULE-2350525453	353.186	FCGNQAUGYGORLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100646
c1(C(=O)O)c2C(C)CCc2n(Cc2c(cccc2F)Br)n1	EMOLS-id_330987505,MCULE-2491912848	353.186	ISBDFXVFZKEBJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100647
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2F)Br)n1	MCULE-9316959662,EMOLS-id_330988016	353.186	BNGBUNIKCJKPRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100648
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(F)c2Br)n1	EMOLS-id_330987761,MCULE-2914656524	353.186	NKMUCMIDPHXBKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100649
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(F)c2)Br)n1	MCULE-8735596017,EMOLS-id_330988272	353.186	IQZHRUPGKDSUAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100650
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(Br)ccc1F	MCULE-6292170966,EMOLS-id_330968508	353.186	MCLRVADRTWLWGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100651
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(Br)cc(F)c1	MCULE-2155065733,EMOLS-id_330969020	353.186	PHCDDQOEJNEINJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100652
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)F	EMOLS-id_330968252,MCULE-9200668810	353.186	RSSJTWQIBNOPJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100653
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(Br)c1F	EMOLS-id_330968764,MCULE-8977531191	353.186	WSMIKMWGICGNGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100654
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1Br)F	EMOLS-id_330966205,MCULE-5233770700	353.186	RSXQUQVMHJNENE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100655
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1F)Br	EMOLS-id_330966972,MCULE-1451897109	353.186	JANCYLSQHBAWCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100656
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(F)c1Br	EMOLS-id_330966717,MCULE-6620826908	353.186	PMLPYRWZWMFANM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100657
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(F)c1)Br	MCULE-7124563827,EMOLS-id_330967228	353.186	LOJGECNHLIHDNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100658
CC1CCc2nn(Cc3c(F)cccc3Br)c(C(=O)O)c12	EMOLS-id_330966461,MCULE-4431777732	353.186	RQXBVTZNHNZMNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100659
O=C(OCCc1cccc(Br)c1)c1cc2n(n1)C[C@H](F)C2	ZINC22_1875322848	353.186	KJLMOQWAYZMCSB-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100660
O=C(OCCc1cccc(Br)c1)c1cc2n(n1)C[C@@H](F)C2	ZINC22_1875322849	353.186	KJLMOQWAYZMCSB-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100661
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)cc(F)c1	PC-id_52609101,MCULE-9582846222,EMOLS-id_257873450	353.19	QTFBXCKPVDPTIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100662
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)c(F)cc1	PC-id_60707645	353.19	MZKZPGDXYGYMIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100663
Brc1cc(F)c(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_60763910	353.19	ARAIKSSTWNFVIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100666
Brc1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1F	PC-id_81501953	353.19	LLOMQCLWPZABPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100667
Brc1c(C(=O)NC(c2n3CCCc3nn2)C)cccc1F	PC-id_81502738	353.19	ZXLYGHUNFVNSGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100668
Brc1c(C(=O)N(Cc2n3CCCc3nn2)C)ccc(F)c1	PC-id_60763895	353.19	KXDRFNXIQRRIPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100669
Brc1c(C(=O)NC(c2n3CCCc3nn2)C)ccc(F)c1	PC-id_60955980	353.19	SEPPUEVPFVLQJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100670
Brc1c(C(=O)N(Cc2n3CCCc3nn2)C)cc(F)cc1	PC-id_60361036	353.19	KYHSGDBDLQUQLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100671
Brc1c(C(=O)NC(c2n3CCCc3nn2)C)cc(F)cc1	PC-id_60715594	353.19	CAABSZDVSPEYJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100672
Brc1c(F)cc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_61704060	353.19	LIKHWUQKETUPLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100673
Brc1c(F)cc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_61704639	353.19	AQNPZHMULCKEFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100674
CC(c1nnc2n1CCC2)NC(=O)c1cccc(c1F)Br	PC-id_106547905	353.19	VXKIPEYWSNYMNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100675
CN(C(=O)c1ccc(c(c1)Br)F)Cc1nnc2n1CCC2	PC-id_103706645	353.19	QJRUABLPVSJJEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100676
CN(C(=O)c1cccc(c1F)Br)Cc1nnc2n1CCC2	PC-id_106547799	353.19	JLKSVZATYZJTFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100677
CN(C(=O)c1c(F)cccc1Br)Cc1nnc2n1CCC2	PC-id_115678594	353.19	HQXWWCYXDDBRRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100678
O=C(c1ccc(c(c1)Br)F)NC(c1nnc2n1CCC2)C	PC-id_103707055	353.19	CIIUOGZLGAWZRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100679
O=C(c1c(F)cccc1Br)NC(c1nnc2n1CCC2)C	PC-id_115678756	353.19	NZMKBUQYGXDYDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100680
Brc1ccc(cc1)S(=O)(=O)CC1=Nc2cccn2C1=O	CoCoCo_6675998,ZINC22_32611928,EMOLS-id_27655926,MCULE-7711266249,PC-id_39855484	353.191	JPWVNBZXOMGPNP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100681
COc1cc(/C=c/2sc3nccn3c2=O)c(Br)cc1O	PC-id_140897219,CHEMBL4533755	353.191	MDUPBQQPIGBGCX-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100682
Brc1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1	MCULE-5795775618,PC-id_2941638,ChEMBL-DNDi_CHEMBL7521108,PD096194,ChEMBL-DNDi_CHEMBL243652,SCHEMBL12297917,STOCK3S-75311,EMOLS-id_1998855,CK1984236,CHEMBL243652	353.194	QSVDRGTXPDNZQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100683
O=C(C[C@@H]1Sc2ncnn2C1=O)Nc1ccc(Br)cc1	PC-id_1194177,CoCoCo_1867254,ZINC22_959013	353.194	QSVDRGTXPDNZQZ-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-100684
O=C(C[C@H]1Sc2ncnn2C1=O)Nc1ccc(Br)cc1	ZINC22_959014,PC-id_1194178,CoCoCo_1867255	353.194	QSVDRGTXPDNZQZ-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100685
c12C(C)CCc1n(nc2N)Cc1ccc(cc1)I	EMOLS-id_330963194,MCULE-1525534360	353.201	WXFPGJKFPLVUBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100686
CC1CCc2c1c(N)nn2Cc1ccccc1I	MCULE-3114710906,EMOLS-id_330963706	353.201	WGMXYZLEHHLJOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100687
CC1CCc2c1c(N)nn2Cc1cccc(I)c1	MCULE-8993197596,EMOLS-id_330963450	353.201	URKFKIPFFHUWOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100688
CC1CCc2nn(Cc3ccccc3I)c(N)c12	EMOLS-id_331012775,MCULE-9421671832	353.201	SXALACHKJFHPII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100689
CC1CCc2nn(Cc3cccc(I)c3)c(N)c12	MCULE-7062456927,EMOLS-id_331012519	353.201	SGIBGEVARCCHPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100690
CC1CCc2nn(Cc3ccc(I)cc3)c(N)c12	MCULE-8739597127,EMOLS-id_331012263	353.201	CFJKPXVUNKQESF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100691
CC1=Nn2c(nc(n2)C(C)CN)C1=Nc1cc(c(c(c1)Cl)O)Cl	PC-id_136089219	353.207	XCPFPXXQWPOMEU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100692
CC(CN)c1nn2c(n1)c(=Nc1cc(c(c(c1)Cl)O)Cl)c(=C)[nH]2	PC-id_136492121	353.207	PXKULDGKULRGHO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100693
CCCCCCc1cc(c(cc1O)O)N=C1C=C(n2c1nc(c2C)C)C	PC-id_164093261	353.21	XHZUBEVWVUNVAT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100694
Clc1c(N/N=C/2C(=Nn3nc(nc23)C)C(C)(C)C)ncnc1Cl	PC-id_23542648	353.21	DIRHIKDJIDVEDN-UFWORHAWSA-N	00000011100000100001000010000000000000000000000000000000	25-01-100695
Clc1c(N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)ncnc1Cl	PC-id_58679626	353.21	DIRHIKDJIDVEDN-UWVJOHFNSA-N	00000011100000100001000010000000000000000000000000000000	25-01-100696
Clc1c(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)ncnc1Cl	PC-id_74061295	353.21	DIRHIKDJIDVEDN-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-100697
COc1ccc(cc1)COCC1Cn2c(O1)nc(c2C)Br	PC-id_140261698	353.211	JJJBKYLGNXEQKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100698
COc1ccc(cc1)COC[C@@H]1Cn2c(O1)nc(c2C)Br	PC-id_140263740	353.211	JJJBKYLGNXEQKF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100699
CCCCC1=NCc2c(c(nn12)C(C)(C)C)N=Nc1ccccc1OC	PC-id_164149939	353.222	UBTCYVIJPLHWPR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100700
CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CC4=CN=CN4C3	PC-id_154784657,EMOLS-id_317777083,MCULE-7687262725	353.222	DOTOUUJBSSOLMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100701
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)OCCF	EMOLS-id_330968060,MCULE-1649050226	353.229	LKFBDGHIEDJXNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100702
CC1CCc2c1c(CO)nn2Cc1c(F)ccc(C)c1Br	MCULE-1732927774,EMOLS-id_331009018	353.229	MSXILTLKRZHJDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100703
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(Br)c12	EMOLS-id_331015593,MCULE-4526448747	353.229	NBLDCGUFDFORRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100704
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(CO)c12	MCULE-8327456505,EMOLS-id_330991797	353.229	PQFZWTFJPAJMFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100705
CCOc1ccc(Cn2nc3CCC(C)c3c2Br)cc1F	EMOLS-id_331015337,MCULE-7244089244	353.229	MLRWTPDGDQHHDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100706
CCOc1ccc(Cn2nc3CCC(C)c3c2Br)c(F)c1	MCULE-9689867463,EMOLS-id_331015849	353.229	YLVPYZDLAASJQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100707
CCOc1ccc(Cn2nc(Br)c3C(C)CCc23)cc1F	EMOLS-id_330967804,MCULE-5248826496	353.229	NBXSVQRKKOAGML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100708
CCOc1ccc(Cn2nc(Br)c3C(C)CCc23)c(F)c1	MCULE-2302795626,EMOLS-id_330968316	353.229	MSBDGJRQQKSOGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100709
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331018659,MCULE-3115712765	353.229	XFFUXWQEMQABEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100710
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1Br	MCULE-4189203675,EMOLS-id_331020448	353.229	GRXGWLKSVHGDAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100711
COc1cccc(C(C)n2nc3CCC(C)c3c2Br)c1F	EMOLS-id_331019171,MCULE-5472424002	353.229	ZTWSJQPLIWXPNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100712
COc1ccc(C(C)n2nc3CCC(C)c3c2Br)c(F)c1	MCULE-3538203617,EMOLS-id_331020192	353.229	ZDBRTOWDOXHSNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100713
COc1cccc(Cn2nc3CCC(C)c3c2CBr)c1F	MCULE-1208763145,EMOLS-id_331011002	353.229	UIEBVXUDBMIEOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100714
COc1cccc(Cn2nc(CBr)c3C(C)CCc23)c1F	MCULE-3776614976,EMOLS-id_331032064	353.229	MBVFEIWFJJEROO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100715
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1Br	MCULE-6850257147,EMOLS-id_331019684	353.229	FEQIMWAYYORNQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100716
COc1cccc(F)c1Cn1nc2CCC(C)c2c1CBr	EMOLS-id_331010236,MCULE-1590350544	353.229	VIRCISZENSVGQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100717
COc1cccc(F)c1Cn1nc(CBr)c2C(C)CCc12	MCULE-4726230473,EMOLS-id_331031298	353.229	QIDQXDAZLCTGEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100718
COc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1F	EMOLS-id_331012538,MCULE-5734585624	353.229	JAUMSABJMJLGDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100719
COc1ccc(Cn2nc3CCC(C)c3c2CBr)c(F)c1	MCULE-8835945646,EMOLS-id_331012794	353.229	ZAEVRXJKCWNNAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100720
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1F	MCULE-3652462603,EMOLS-id_331033600	353.229	PKXNNUXTXWETDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100721
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)c(F)c1	EMOLS-id_331033856,MCULE-3210011453	353.229	OQNUEVVQGFYOMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100722
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1Br	MCULE-1985503816,EMOLS-id_331019428	353.229	YURRKNIMODVLQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100723
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1CBr	MCULE-6539621232,EMOLS-id_331014075	353.229	RXZDFFCCWUWOTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100724
COc1ccc(F)cc1Cn1nc(CBr)c2C(C)CCc12	MCULE-6982199005,EMOLS-id_331031042	353.229	BQAOWHOZSFEZOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100725
COc1ccc(F)c(Cn2nc3CCC(C)c3c2CBr)c1	EMOLS-id_331010746,MCULE-8778493780	353.229	FXUGREMAXKSZFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100726
COc1ccc(F)c(Cn2nc(CBr)c3C(C)CCc23)c1	MCULE-6128281423,EMOLS-id_331031808	353.229	QCFZFJPJXLOMHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100727
COc1cc(Cn2nc3CCC(C)c3c2CBr)ccc1F	EMOLS-id_331011258,MCULE-6903660596	353.229	GCSDFQSUDRZMLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100728
COc1cc(Cn2nc(CBr)c3C(C)CCc23)ccc1F	EMOLS-id_331032320,MCULE-8833651565	353.229	BIFVSMXCESTISO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100729
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331018915,MCULE-3721817893	353.229	OQHHWLUDHJPMFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100730
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1Br	MCULE-1539747021,EMOLS-id_331021729	353.229	KLIIROMMILPNPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100731
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1CBr	EMOLS-id_331010492,MCULE-3694434935	353.229	IYIWUGPACKGHDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100732
COc1cc(F)ccc1Cn1nc(CBr)c2C(C)CCc12	EMOLS-id_331031554,MCULE-1300612806	353.229	VUVJSJCLFQOIOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100733
COc1cc(F)cc(Cn2nc3CCC(C)c3c2CBr)c1	MCULE-7709259491,EMOLS-id_331011514	353.229	DMKYZYUNTLILMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100734
COc1cc(F)cc(Cn2nc(CBr)c3C(C)CCc23)c1	MCULE-6993670061,EMOLS-id_331032576	353.229	HIPOWBBITGKGLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100735
COc1c(F)cccc1Cn1nc2CCC(C)c2c1CBr	EMOLS-id_331010748,MCULE-7578395208	353.229	ZTISVPSOTQDNHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100736
COc1c(F)cccc1Cn1nc(CBr)c2C(C)CCc12	EMOLS-id_331031810,MCULE-7789072922	353.229	CZTYSFZNDNQRQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100737
Brc1cc(C(NC(c2n3CCCc3nn2)C)C)ccc1F	PC-id_43791514	353.233	IOGSIEJVSWJYTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100738
Brc1cc(C(NC(c2n3CCCc3nn2)C)C)c(F)cc1	PC-id_82964007	353.233	OJDAZTAHGSNIJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100739
Brc1cc(F)c(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_82964006	353.233	TZTYRBNFUCBHPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100740
CCN(CC)c1nc(c(cc1)N=C1C(=Nn2c1nc(n2)C)C(C)(C)C)C	PC-id_164148997	353.233	ZCYZGRSASGLAAJ-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-100741
Fc1ccc(c(c1)Br)C(NC(c1nnc2n1CCC2)C)C	PC-id_104663716	353.233	AZUSQAGPBGEION-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100742
Brc1cc(NCc2sc3c(CCC3)c2)c([N+](=O)[O-])cc1	PC-id_65341683	353.234	DCPPFHLMJBYQDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100743
Brc1cc([N+](=O)[O-])c(NCc2sc3CCCc3c2)cc1	PC-id_63462006	353.234	SLVIZJUXRRURRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100744
Brc1cc(OC)c(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_78987551	353.234	NYSUUNFMJQNQRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100745
Brc1c(NCc2sc3CCCc3c2)ccc([N+](=O)[O-])c1	PC-id_63540388	353.234	QSJVWMQFMNNKJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100746
Cc1cc(Nc2sc3c(n2)C(CC3)C(=O)O)cc(c1)Br	PC-id_107580579	353.234	YOHMCAMGOGSGAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100747
COc1ccc(Br)c(C(=O)Nc2nc3c(s2)CCC3)c1	EMOLS-id_11970088,CoCoCo_4164185,PC-id_17415851,ZINC22_9113165,MCULE-3530339943	353.234	DFRUGSBZKZTANQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100748
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1Br	ZINC22_12849438,MCULE-9202244059,PC-id_25550883,EMOLS-id_24130487,CoCoCo_4164331	353.234	XRUFJAHXALMUMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100749
O=C(COc1ccc(Br)cc1)Nc1nc2c(s1)CCC2	EMOLS-id_17203513,MCULE-7070798428,ZINC22_12890319,CoCoCo_4164114,PC-id_24245037	353.234	DESNWUFBRKVKFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100750
Brc1cc([N+](=O)[O-])c(NCc2sc3CCCc3c2)nc1	PC-id_61228066	354.222	DRDPRZBGUSTUJO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-101324
O=C(COc1cccc(Br)c1)Nc1nc2c(s1)CCC2	EMOLS-id_18842336,CoCoCo_4164019,MCULE-7298157819,PC-id_25524305,ZINC22_12803833	353.234	AHRYMOFLRZTJQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100751
OC(=O)C1CCc2c1nc(s2)Nc1cc(Br)ccc1C	PC-id_104288017	353.234	XPNFXYBLYROMBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100752
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Br)C	PC-id_104287495	353.234	UKCURYKVRHSADJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100753
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)Br)C	PC-id_104288778	353.234	GOUMEWANXBYASV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100754
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1Br)C	PC-id_104289160	353.234	NQJCAZFYNPZITI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100755
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1C)Br	PC-id_104287518	353.234	MAPUJJZHNRVJDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100756
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)C)Br	PC-id_104287536	353.234	JSFDEBAOMQHYBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100757
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1C)Br	PC-id_107638495	353.234	XLRJNLWHGBCGDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100758
OC(=O)C1CCc2c1nc(s2)Nc1cc(C)ccc1Br	PC-id_104289193	353.234	FWWIMDHUJMORET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100759
OC(=O)C1CCc2c1nc(s2)NCc1ccc(cc1)Br	PC-id_104287677	353.234	QWWULAVZBHMWCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100760
OC(=O)C1CCc2c1nc(s2)NCc1ccccc1Br	PC-id_104288332	353.234	NQQSJKCHHWOYTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100761
OC(=O)C1CCc2c1nc(s2)NCc1cccc(c1)Br	PC-id_104288517	353.234	VSDGOWCEECJQGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100762
Brc1cc(C(=O)Nc2sc3CCCc3n2)c(NC)nc1	PC-id_62178800	353.238	COJFISKHYZEVHL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100763
O=C(Nc1nc2c(s1)CCC2)c1[nH]nc(C2CC2)c1Br	PC-id_47426628,MCULE-8483478308,ZINC22_49157615,EMOLS-id_33362713	353.238	FFKYHOIOHAAYIV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-100764
CN(Cc1nnc2n1CCC2)C(=O)CCc1cccc(Cl)c1Cl	PC-id_47041145,ZINC22_58196184,EMOLS-id_31978524,MCULE-6712044485	353.246	WFQAAPPTCOUKNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100765
Clc1ccc(c(c1)Cl)C(NC(=NCc1nnc2n1CCC2)N)C	PC-id_111039287	353.25	RPCJRMSLQOFXFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100766
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1Cl)Cl	PC-id_111020239	353.25	INYDJZYKZPPUES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100767
BrC/C=C/CN1C(=O)c2c(c(n(c2C)CCCC)C)C1=O	PC-id_10618031	353.254	SVWVZMIRUQPASU-VOTSOKGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100768
BrCC=CCN1C(=O)c2c(c(n(c2C)CCCC)C)C1=O	PC-id_85207323	353.254	SVWVZMIRUQPASU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100769
Brc1ccc(s1)C(=O)Nc1sc2CCCc2c1C#N	ZINC22_1053470,PC-id_1245126,TIMTEC459302,EMOLS-id_2041304,ChEMBL-DNDi_CHEMBL7944483,MCULE-4531995263,CoCoCo_540637	353.257	SUCDAZIWMBSGRR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100770
Brc1c(scc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_55028108	353.257	AKYSXHWTDMCAFD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100771
Brc1scc(C(=O)Nc2sc3CCCc3c2C#N)c1	PC-id_60739634	353.257	ROAVGRLEAMGPNQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-100772
O=c1n(nc2n1CCC2)CC(COS(C(F)(F)F)(O)O)(F)F	PC-id_143847996	353.266	VIZHMFGPDMLVKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100773
Brc1cc(C(O)c2sc3c(CCC3)c2)c(OC)cc1C	PC-id_65434322	353.274	NBXSGGSVGSHRBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100774
Brc1cc(C(O)c2sc3c(CCC3)c2)c(OCC)cc1	PC-id_61083227	353.274	HGCJSZYIEFURLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100775
Brc1c(C(O)c2sc3c(CCC3)c2)ccc(OCC)c1	PC-id_80285515	353.274	GAHPSWVVZNJMCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100776
BrC(c1sc2c(CCC2)c1)c1cc(OC)c(OC)cc1	PC-id_61086109	353.274	MKTYQLDKYHPXGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100777
BrC(c1sc2c(CCC2)c1)c1c(OC)ccc(OC)c1	PC-id_63437063	353.274	XJWWNYDOHGNZME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100778
BrC(c1sc2c(CCC2)c1)c1c(OC)cc(OC)cc1	PC-id_63442462	353.274	BHTAHMZGMNJHSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100779
CCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)O	PC-id_104661064	353.274	VUMFURANQUBKHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100780
COc1ccc(cc1Br)CC(c1sc2c(c1)CCC2)O	PC-id_115779356	353.274	ZTGPDBVARSPZSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100781
COc1ccc(cc1CC(c1sc2c(c1)CCC2)O)Br	PC-id_115779223	353.274	JNIANRQYXXPYNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100782
COc1ccc(c(c1)CC(c1sc2c(c1)CCC2)O)Br	PC-id_115801375	353.274	LHMGVWSXDOOFRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100783
Brc1cc(C(NC)c2sc3CCCc3n2)ccc1OC	PC-id_61330778	353.277	LIGBCOZVYZAHIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100784
Brc1cc(C(NC)c2sc3CCCc3n2)c(OC)cc1	PC-id_61330373	353.277	MTBKTABBOAQUDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100785
Brc1cc(n(CC)c1)C(=O)NCc1sc2CCCc2c1	PC-id_61208968	353.277	QHFCQMQVNPKDNF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-100786
CCc1nn(c(c1Br)CC(=O)c1sc2c(c1)CCC2)C	PC-id_114978031	353.277	GHLKWJKYPBVELS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100787
CCn1nc(c(c1CC(=O)c1sc2c(c1)CCC2)Br)C	PC-id_114980298	353.277	UCTVBABKSJEWGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100788
COc1ccc(c(c1)C(c1sc2c(n1)CCC2)NC)Br	PC-id_108404382	353.277	ZSSYQZYQADQMCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100789
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccccc1C(F)(F)F)CC	MCULE-9983010774,EMOLS-id_27456784,STOCK6S-83912,SPECS-id_AN-153/NB21585,PC-id_135649929	353.299	AEIOMLBEIRKNJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100790
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2	PC-id_135878668,ZINC22_31816257	353.299	AEIOMLBEIRKNJJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100791
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2	ZINC22_31816262,PC-id_135878669	353.299	AEIOMLBEIRKNJJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-100792
CCCCN(B(N(C1N(C)c2n(C1(C)C)ncc2)c1ccccc1)C)C	PC-id_144358524	353.313	UMQBYFLQIYBCCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100793
O=C(C(F)(F)F)OC1NCc2c1c(C)n(n2)S(=O)(=O)C1(C)CC1	PC-id_140668788	353.317	NQDNMOHKDVOZJW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-100794
COc1cc(CN(C)C(=O)c2cc3n(n2)CCO3)ccc1OC(F)F	MCULE-1544009981,ZINC22_515095481,EMOLS-id_316786400	353.321	LFOMYQNMOUCDNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100795
Cc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1(F)F)O)CN1CCn2c1ccn2	SCHEMBL10361769,PC-id_70350957	353.324	YKQLUFRFFFLOML-RAIGVLPGSA-N	00000010100000100001100010000000000000000000000000000000	25-01-100796
FC1(F)C(O)C(OC1n1ccc(nc1=O)C)CN1CCn2nccc12	PC-id_77831002	353.324	YKQLUFRFFFLOML-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-100797
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C(=O)/C=C/C(=O)O	PC-id_72196201	353.325	TYQNMIPOLTWIEZ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100798
C1C(Oc2nc(cn12)[N+](=O)[O-])COc1ccc(cc1)Oc1ccccc1	PC-id_137642166	353.329	YMTNDNUTHQVFCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100799
C1C(=O)Cc2c1c(nn2Cc1ccccc1)C(=O)On1c(ccc1O)O	PC-id_137145453	353.329	NJFLRHQIDWBLGM-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-100800
O=C1Cc2c(C1)c(nn2Cc1ccccc1)C(=O)ON1C(=O)CCC1=O	SCHEMBL5525083,PC-id_58713650	353.329	MAYTVPIAEMUCOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100801
OC(C(F)(F)F)CN(C(=O)c1occ2c1CCC2)Cc1ccccc1	EMOLS-id_318048630	353.336	IKNOBDGSZNHSOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100802
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)OCC)Cc1ccccc1	MCULE-9323734820,EMOLS-id_324347233	353.339	XWCVIYJSEJBBQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100803
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCc2ccc(cc2)OC)n1	BAS-01939669,PC-id_655021,CoCoCo_224994,SCHEMBL1006721,TIMTEC324603,ZINC22_869831,CHEBI:112908,EMOLS-id_1359729,CHEMBL1449863,MCULE-3727441958	353.339	MZSMOOKBLTVFCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100804
Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc3n(n2)CCO3)cc1	MCULE-6704844160,EMOLS-id_316739839,ZINC22_291419807	353.339	GFYGHWSRLSWFFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100805
CC(C)(C)c1nn2C(C(=O)Nc2c1)Cc1ccc(cc1)OC(F)(F)F	PC-id_136703378	353.339	GFECMCHSMRJUQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100806
CCOC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18740418	353.339	XEHALPDGHOMGMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100807
Cn1nc2c(c1NC(=O)c1ccc(COCC(F)(F)F)cc1)CCC2	MCULE-8516229256,ZINC22_84303490,EMOLS-id_44549786,PC-id_47777340	353.339	YQQNSEUQXIPUKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100808
COc1ccc(cc1)CNC(=O)CC1CCc2c1c(n[nH]2)C(F)(F)F	SCHEMBL1892108,PC-id_67202379	353.339	LDZQXIPNTUABQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100809
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CC	SCHEMBL18740240	353.339	BZKHFBMIKNKRFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100810
OC(C(F)(F)F)CN(C(=O)c1cnc2n1CCC2)Cc1ccccc1	EMOLS-id_318234145	353.339	YNXTWRURFXEDGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100811
OC(C(F)(F)F)CN(C(=O)c1n[nH]c2c1CCC2)Cc1ccccc1	EMOLS-id_318283231	353.339	FYYVCAJAXIHSNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100812
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2n(C)nc(C3CC3)c2)n1	TIMTEC549555,MCULE-1853932450,ZINC22_20607638,PC-id_19590844,EMOLS-id_8867173	353.342	XKVYFGDGNAKNGE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-100813
Fc1c(C[C@@H](N)CC(=O)N2Cc3c(nn(c3N)C)C2)cc(F)c(F)c1	PC-id_56656130	353.342	MVAFEPXXJULECN-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100814
Fc1c(CC(N)CC(=O)N2Cc3c(nn(c3N)C)C2)cc(F)c(F)c1	PC-id_76388646	353.342	MVAFEPXXJULECN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100815
FC(F)(F)C(NC(=O)NCc1n2CCCc2nn1)Cc1ccccc1	PC-id_75427493	353.342	NDCCFALTJOYMQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100816
O=C(c1cc2n(n1)CCC2)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1	ZINC22_295463795	353.342	FSRGKHOYVLCCBO-JTQLQIEISA-N	00000010100010000001100010000000000000000000000000000000	25-01-100817
O=C(c1cc2n(n1)CCC2)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1	ZINC22_295463799	353.342	FSRGKHOYVLCCBO-SNVBAGLBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-100818
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)c1ncc([nH]1)C(F)(F)F	MCULE-5455648642,EMOLS-id_316150831	353.342	FSRGKHOYVLCCBO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-100819
O=C(NCc1nnc2n1CCC2)N[C@H](Cc1ccccc1)C(F)(F)F	PC-id_97228955,ZINC22_95419093	353.342	NDCCFALTJOYMQU-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100820
O=C(NCc1nnc2n1CCC2)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC22_95419092,PC-id_97228954	353.342	NDCCFALTJOYMQU-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100821
O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2	MCULE-7914258327,ZINC22_31030606,EMOLS-id_36627174,PC-id_38204944	353.342	XZLQOAVBHDXECE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100822
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(=O)n(C)n1	ZINC22_215433031,PC-id_77084556,EMOLS-id_49876940,MCULE-9718348648	353.35	APVPMKVAEHJGLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100823
Fc1ccc(CC(=O)N2Cc3[nH]nc(COc4cccnc4)c3C2)nc1	ZINC22_1565549578,EMOLS-id_313726673	353.35	ZYMRNKKEJDJHGL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100824
Fc1c(NC(=O)C2NCc3n(ncc23)C)ccc(n2c(=O)cccc2)c1	PC-id_77653767	353.35	ZVHUCJXGHDTOMM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-100825
Fc1c(NC(=O)[C@@H]2NCc3n(ncc23)C)ccc(n2c(=O)cccc2)c1	PC-id_69447078,SCHEMBL5451744	353.35	ZVHUCJXGHDTOMM-QGZVFWFLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-100826
Fc1c(NC(=O)[C@H]2NCc3n(ncc23)C)ccc(n2c(=O)cccc2)c1	SCHEMBL14624305,PC-id_71220094	353.35	ZVHUCJXGHDTOMM-KRWDZBQOSA-N	00000010100000111001100010000000000000000000000000000000	25-01-100827
CC1(C)OC(CN(C1)S(=O)(=O)c1cnc2n1CCC2)C(F)(F)F	EMOLS-id_100590364	353.361	DSFGSKAFTXFUPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100828
OCC1CN(CCC1C(F)(F)F)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98583280	353.361	YZVTXUNVOISDOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100829
O=S(=O)(c1cnc2n1CCC2)N1CCCC(CC1)(O)C(F)(F)F	EMOLS-id_98574241	353.361	XLRBVABVYYITRU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-100830
CC(C)(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324908549	353.362	KZXKKSNGRNBGBH-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100831
CC(C)(C)c1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324849892	353.362	BLNWCGTZAASZCX-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100832
CC(C)(C)c1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324850404	353.362	IRIJYDWDRJMSRW-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100833
CC(C)Cc1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324860128	353.362	VIRHCIVPCZGMJV-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100834
CC(C)Cc1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324860640	353.362	QHVQDRPKHIBECZ-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100835
n12c(=O)c(=Cc3ccc(cc3)C(C)(C)C)sc1nc(C(F)(F)F)n2	MCULE-7083853583	353.362	KZXKKSNGRNBGBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100836
n12c(=O)c(=Cc3ccccc3C(F)(F)F)sc1nc(C(C)(C)C)n2	MCULE-3520147113	353.362	IRIJYDWDRJMSRW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100837
n12c(=O)c(=Cc3ccc(cc3)C(F)(F)F)sc1nc(C(C)(C)C)n2	MCULE-4214045529	353.362	BLNWCGTZAASZCX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100838
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CC(C)C	MCULE-1121429922	353.362	VIRHCIVPCZGMJV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100839
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CC(C)C	MCULE-9286212188	353.362	QHVQDRPKHIBECZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100840
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1nc(ns1)C)C#N)C	PC-id_88873681	353.365	VSSVFNGXKYDUJI-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-100841
s1nc(nc1n1ncc([N+]#[C-])c1N/N=C/1c2n(N=C1C)c(nn2)C)C	PC-id_58090596	353.365	BAQGDZCGPLLWAD-ZDLGFXPLSA-N	00000011100000000001100010000000000000000000000000000000	25-01-100842
s1nc(nc1n1ncc([N+]#[C-])c1NN=C1c2n(N=C1C)c(nn2)C)C	PC-id_76663826	353.365	BAQGDZCGPLLWAD-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-100843
CCOC(=O)C1C(C(=O)OCC)(C(=O)OCC)c2n(C1(C)O)ccc2	PC-id_102129147	353.367	GHTQPTQAOKCGMA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100844
COC(=O)C1(CCn2c1ccc2C(=O)c1ccc(cc1)C=C)C(=O)OC	SCHEMBL9792195,PC-id_20073618	353.369	OYYMYJVMZOFYCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100845
O(C(=O)C1(C(Cn2c1ccc2C(=O)c1ccc(cc1)C=C)C)C)C(=O)O	PC-id_53844659	353.369	GLMYUKJMNYABCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100846
c1(NC(=O)c2cc(on2)c2ccc(cc2)F)sc2c(CCC2)c1C#N	PC-id_4125977,TIMTEC502475,MCULE-7356300013,EMOLS-id_15969514,ZINC22_2465497,ChEMBL-DNDi_CHEMBLC226-0323	353.37	VKFFADKBVYNMRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100847
Fc1ccccc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324841713	353.37	WUQUMTVXNFAUMK-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100848
Fc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324844784	353.37	RRWASVRMMRJNGS-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100849
Fc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324842739	353.37	RKTAJDMTZIPBMZ-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100850
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1ccccc1	MCULE-7583659151	353.37	WUQUMTVXNFAUMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100851
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1ccccc1	MCULE-4300425695	353.37	RKTAJDMTZIPBMZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100852
n12nc(nc1sc(=Cc1ccc(C)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-9576502658	353.37	BOJXYRGZPOFQQD-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-100853
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)Cc1ccc(F)cc1	MCULE-5474046072	353.37	SWKCXBSRRYEGQZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100854
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)COc1ccccc1	MCULE-6530181085	353.37	RRWASVRMMRJNGS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100855
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)Cc1ccc(F)cc1	MCULE-6243977258	353.37	HOINBZGYOGRYFQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100856
Oc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324835581	353.37	HOINBZGYOGRYFQ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100857
Oc1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324839664	353.37	SWKCXBSRRYEGQZ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-100858
c12CN(Cc1cnn2CCO)C(=O)c1ccc(c2ccc(cc2)OC)o1	MCULE-3738392292,ZINC22_216353874,PC-id_77096043,EMOLS-id_49896801	353.372	RJRZRTHSDPXGTR-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-100859
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)Nc1ccc(cc1)F)[O-]	PC-id_134800521	353.372	LLDWJBCQHYSVIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100860
O=c1ccc(co1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109440	353.372	DZLSYFUEVUHLBR-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-100861
CCC(N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C(=O)O	SCHEMBL5539452,PC-id_69480545	353.374	MCJKMTZGJNZGJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100862
CCOC(=O)CN1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_140503025	353.374	ZCVQVOSAVOOTFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100863
CCOC(=O)CNC(=O)Nc1cc2n(n1)CCN2C(=O)OC(C)(C)C	PC-id_58441096,SCHEMBL12307482	353.374	MCFJBYQDBYOUFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100864
CC(OC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_69479435,SCHEMBL5535799	353.374	UQQIATZYSWFXEH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100865
O1C(CN2C[C@@H](N(CC2)C(=O)O)C(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	PC-id_69635314	353.374	IFJVFMLECULWEN-RRKGBCIJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100866
O1C(CN2C[C@H](N(CC2)C(=O)O)C(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	PC-id_69635408	353.374	IFJVFMLECULWEN-DTIOYNMSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100867
O1C(CN2CC(N(CC2)C(=O)O)C(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	PC-id_69635306	353.374	IFJVFMLECULWEN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100868
O1C(CN2CCN(CC2)C(=O)OC(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	SCHEMBL5535946,PC-id_23081438	353.374	OMWKJHAUIFXEDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100869
O1[C@H](CN2CCN(CC2)C(=O)OC(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	PC-id_69635394,SCHEMBL6010853	353.374	OMWKJHAUIFXEDT-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100870
O1[C@@H](CN2CCN(CC2)C(=O)OC(C)(C)C)Cn2c1nc([N+](=O)[O-])c2	SCHEMBL6010762,PC-id_69635301	353.374	OMWKJHAUIFXEDT-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-100871
c12CN(Cc1cnn2CCO)C(=O)c1cnn(c2ccccc2OC)c1	EMOLS-id_36616264,PC-id_56760074,ZINC22_67982652,MCULE-7392722470	353.375	PDISVNVXFKHIJP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100872
c12CN(Cc1cnn2CCO)C(=O)CCc1onc(c2ccccc2)n1	MCULE-2398795628,EMOLS-id_43591299,ZINC22_77471515,PC-id_70764450	353.375	KTJDIOHJYUENLR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100873
c1(c[nH]nc1c1cccc(OC)c1)C(=O)N1Cc2c(n(nc2)CCO)C1	EMOLS-id_49639291,ZINC22_97088292,PC-id_74230270,MCULE-5072572272	353.375	HFRRONFTPDBLPK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100874
c1(C(=O)Nc2cccc(c2)C(=O)N2CCNC(=O)C2)c2CCCc2[nH]n1	ZINC22_1565525049,MCULE-6720426535	353.375	YXSZUGSOUUTKKJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100875
c1(C(=O)NCc2c(C)noc2C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-1008488891,EMOLS-id_316325695	353.375	AZNIPSAPRMVZEJ-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100876
C1(=O)N(c2ccc(cc2)C(=O)N(C)Cc2c3CCCc3[nH]n2)CC(=O)N1	MCULE-8059923859,PC-id_72893783,ZINC22_91665700,EMOLS-id_46065621	353.375	WXHUWQHPNDKPSC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100877
C1(=O)NC(=O)CCN1c1ccccc1C(=O)NCc1c2CCCc2[nH]n1	MCULE-1917418141,PC-id_77096621,EMOLS-id_49897803,ZINC22_216399192	353.375	XZKHDGQQQBFKGF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100878
Cc1c(n(c(c1)O)CC(C)c1nn2c(n1)CC(=N2)Oc1ccccc1)O	PC-id_91252327	353.375	YTJYCIIIYSWXCR-UHFFFAOYSA-N	00000011110000110001000010000000000000000000000000000000	25-01-100879
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)N1CCCC1=O	PC-id_68443594,SCHEMBL2926306	353.375	KHLAMUHVOPSGKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100880
CN(C(=O)c1ccc(o1)Cn1ccccc1=O)Cc1nnc2n1CCC2	MCULE-2144405265,PC-id_47031268,EMOLS-id_48338048	353.375	SZCATLPBUZJCDT-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-100881
O=c1ccc(n[nH]1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109286	353.375	MUGXRVVFWWZYGI-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-100882
O=C1N(CC(c2nc3n(n2)N=C(Oc2ccccc2)C3)C)C(=O)CC1C	PC-id_57604340	353.375	NFDWTECZKWSXOA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-100883
O=C1NC(C(=O)N1c1cccc(c1)NC(=O)c1n[nH]c2c1CCC2)(C)C	EMOLS-id_100919355	353.375	QICFNHJYISFUCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100884
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)NCc1c(C)noc1C	MCULE-2390206166	353.375	AZNIPSAPRMVZEJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100885
O=C(N1Cc2n(ncc2C1)CCO)c1[nH]nc(c1)c1cc(OC)ccc1	PC-id_70785510	353.375	AZNSROZAMAJRQJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100886
c1(CN(C)C(=O)COc2cccc(c2)n2cnnn2)c2CCCc2[nH]n1	EMOLS-id_55646062,MCULE-3993601278,PC-id_91834695,ZINC22_244899924	353.378	ZTCDTGYCYNKQMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100887
c1(n(C)nc2CCCc12)NC(=O)N(C)Cc1onc(c2ccncc2)n1	ZINC22_96151353,PC-id_72895070,MCULE-3120752695,EMOLS-id_49162572	353.378	LTAQFVCJMUOFBQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100888
CCc1noc(c2ccc(NC(=O)NCc3nnc4n3CCC4)cc2)n1	MCULE-3222547012,PC-id_72922676,EMOLS-id_49172554,ZINC22_96164352	353.378	DLGDBQUYUQRHFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100889
n12CCCc1nnc2CNC(=O)CCCc1onc(c2cccnc2)n1	EMOLS-id_55605894,PC-id_91761073,MCULE-6273214415	353.378	IPMPECDWVSIBKH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-100890
O=C(c1nc(C)c(nc1N)c1ncco1)NCc1nn(c2c1CCC2)C	SCHEMBL17768956,PC-id_121351321	353.378	TWEYVEPLSVAGOS-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-100891
c1(c2ccc(c(NC(=O)NCc3nnc4CCCn34)c2)C)nnn(C)n1	PC-id_118764067,MCULE-7740487198,ZINC22_426388428,EMOLS-id_82703585	353.382	QLBHGARBBYKDAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100892
COCC(c1cccc(c1)C(F)(F)F)NC(c1cc2n(n1)CCC2)C	EMOLS-id_318135952	353.382	KKTMTZJCKJBVLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100893
s1c2CCCc2cc1C(=O)NCc1cc(OC)c(OC(F)F)cc1	PC-id_9261556	353.384	OFIVHHZEFXUJNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100894
c1(NC(=O)c2c(cccc2F)F)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-7744529051,EMOLS-id_5442879,PC-id_2050970	353.387	XMSLEXFVKRSLKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100895
CC(C)(C)n1nc2c(c1NC(=O)c1c(F)cccc1F)C[S@](=O)C2	PC-id_11863413,ZINC22_4106183,CoCoCo_4985437	353.387	XMSLEXFVKRSLKZ-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100896
CC(C)(C)n1nc2c(c1NC(=O)c1c(F)cccc1F)C[S@@](=O)C2	PC-id_11877756,ZINC22_2456832,CoCoCo_4985438	353.387	XMSLEXFVKRSLKZ-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-100897
FC(F)Oc1c(OCC)cc(C[NH2+]C(c2n3CCCc3nn2)C)cc1	PC-id_75889720	353.387	NTVKWSOOAGJIQI-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-100898
FC(F)Oc1c(OCC)cc(C[NH2+][C@H](c2n3CCCc3nn2)C)cc1	PC-id_52640831	353.387	NTVKWSOOAGJIQI-NSHDSACASA-O	00000010100000110001000010000000000000000000000000000000	25-01-100899
FC(F)Oc1c(OCC)cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc1	PC-id_52640833	353.387	NTVKWSOOAGJIQI-LLVKDONJSA-O	00000010100000110001000010000000000000000000000000000000	25-01-100900
Fc1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109356	353.39	RUJJTBSUVKCWNQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-100901
Fc1cccc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109357	353.39	KAVBKAGELZFVJH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-100902
Fc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109358	353.39	CBHKSFCWYKGOSX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-100903
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1[nH]nc(C(C)C)c1	PC-id_56745244,MCULE-1997490021,EMOLS-id_36581092,ZINC22_67740549	353.393	PGNDLGBNIJAMDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100904
c1(cc(nn1CC)C)C(=O)N1Cc2c(n(nc2)Cc2ccc(cc2)F)C1	MCULE-2673310263,EMOLS-id_36566111,ZINC22_67459538,PC-id_56739406	353.393	HKYNCVFJEURUSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100905
Cc1nn(c2ccc(F)cc2)c(C)c1C(=O)NCc1n[nH]c2c1CCC2	ZINC22_71415605,PC-id_56861823,MCULE-4097379289,EMOLS-id_43060424	353.393	GUQVXTCAWRBWMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100906
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)C(Cn2nccc2)C)cc1	PC-id_56744409	353.393	AUCXPDSDVBUKNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100907
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC1CNC(C1)C(=O)O	SCHEMBL3398675,PC-id_59475062	353.393	DTGJIAUEGZJRBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100908
c1(NC(=O)C2CC(=NO2)c2ccccc2O)sc2c(CCC2)c1C#N	EMOLS-id_1513371,ChEMBL-DNDi_CHEMBL1319582,CHEMBL1319582,TIMTEC356183,MCULE-5047984737	353.395	OIYIIBRONOKKIA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100909
N#Cc1c(NC(=O)[C@@H]2CC(=NO2)c2ccccc2O)sc2c1CCC2	CoCoCo_6628559,ZINC22_13123886	353.395	OIYIIBRONOKKIA-HNNXBMFYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100910
N#Cc1c(NC(=O)[C@H]2CC(=NO2)c2ccccc2O)sc2c1CCC2	ZINC22_13123887,CoCoCo_6628558	353.395	OIYIIBRONOKKIA-OAHLLOKOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100911
s1c2CCCc2cc1C(=O)NNC(=O)c1noc(c2ccccc2)c1	PC-id_34591883	353.395	FUPPJRVUBQCGLX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100912
s1c2c(CCC2)c(c1NC(=O)C1ON/C(=C/2C(=O)C=CC=C2)/C1)C#N	PC-id_5769556	353.395	MGNOJXMNAJJHCB-QBFSEMIESA-N	00000010100011000001100010000000000000000000000000000000	25-01-100913
s1c2c(CCC2)c(c1NC(=O)C1ON/C(=C/C(=O)C=CC=C2)/C1)C#N	PC-id_6070590	353.395	MGNOJXMNAJJHCB-ACCUITESSA-N	00000010100011000001100010000000000000000000000000000000	25-01-100914
s1c2c(CCC2)c(c1NC(=O)C1ONC(=C2C(=O)C=CC=C2)C1)C#N	PC-id_6824064	353.395	MGNOJXMNAJJHCB-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-100915
s1c2c(CCC2)c(c1NC(=O)[C@@H]1ONC(=C2C(=O)C=CC=C2)C1)C#N	PC-id_6751184	353.395	MGNOJXMNAJJHCB-OAHLLOKOSA-N	00000010100011000001100010000000000000000000000000000000	25-01-100916
s1c2c(CCC2)c(c1NC(=O)[C@H]1ONC(=C2C(=O)C=CC=C2)C1)C#N	PC-id_6965926	353.395	MGNOJXMNAJJHCB-HNNXBMFYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-100917
s1c2CCCc2nc1NC(=O)c1ccc(NC(=O)c2occc2)cc1	PC-id_33040199	353.395	AFQAFBGHYSUYFF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-100918
Cn1cnc(c1)S(=O)(=O)N1Cc2c(C1)nc(o2)CN1CCOCC1	PC-id_97520348	353.397	OUMJBNHPOVTVCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100919
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1cccs1)Nc1ccccc1	PC-id_68441299,SCHEMBL2920498	353.398	GGRYTLFIRJHGGO-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-100920
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1cscc1)Nc1ccccc1	SCHEMBL2915135,PC-id_68439486	353.398	FXRIDUVRXOJCPH-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-100921
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(n2ncnc2)cc1	PC-id_27163433	353.398	APCWLRLPSAJCEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100922
s1c2CCCc2cc1C(=O)NNC(=O)c1nn(nc1)c1ccccc1	PC-id_51255127	353.398	WMVWNAOSKOJIOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100923
c1(CN2CCCC(C2)C(=O)N2CCC(CC2)(F)F)nnc2CCCn12	EMOLS-id_337728718,MCULE-8164382213	353.41	HJRSDDWOBDXVHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100924
O=C([C@@H]1CCCN(Cc2nnc3n2CCC3)C1)N1CCC(F)(F)CC1	ZINC22_2298188619	353.41	HJRSDDWOBDXVHH-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100925
O=C([C@H]1CCCN(Cc2nnc3n2CCC3)C1)N1CCC(F)(F)CC1	ZINC22_2298188620	353.41	HJRSDDWOBDXVHH-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-100926
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)OC1CCCCC1	PC-id_139746940	353.412	BMXRUPYZNQIVCY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-100927
n12nc(nc1sc(=CC1CCC=CC1)c2=O)C=Cc1ccc(cc1)F	MCULE-2648765164	353.413	GISNKYNUXQDZQM-UHFFFAOYSA-N	00000000100011110001000010000000000000000000000000000000	25-01-100928
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)O)C1C[n+]2n(C1)c(nc2[2H])[2H]	PC-id_10617987	353.413	MRMBZHPJVKCOMA-TYUMKMKVSA-O	00001011100000000001001010000000000000000000000000000000	25-01-100929
Cc1cc(c(o1)C)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109435	353.415	SIAYIDLWWJPBNA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-100930
O=C1N(Cc2[nH]c(c(c12)C)C(=O)Nc1c(ccc(c1)C(=O)CC)C)CC	PC-id_58328130	353.415	CVZPWFCYLVBQOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-100931
CC([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)SC1CCn2c1cnc2)O	PC-id_57119649,SCHEMBL10617419	353.417	RLZUWWVOAHPDQM-YTCJJDFUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100932
C[C@H]([C@@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)SC1CCn2c1cnc2)O	PC-id_101660281	353.417	RLZUWWVOAHPDQM-KCQLAGJESA-N	00001011100000000001001010000000000000000000000000000000	25-01-100933
C[C@H]([C@@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)SC1Cn2c(C1)cnc2)O	PC-id_101660359	353.417	YVIHMQRNYNZLQM-KCQLAGJESA-N	00001011100000000001001010000000000000000000000000000000	25-01-100934
C[C@H]([C@@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)SC1Cn2c(C1)ncc2)O	PC-id_101660357	353.417	ACADQZRRTGQUIG-SSCAVZTKSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100935
COC(=O)C1=CNC(=CSC1Cc1cn2c(n1)CSC2)C(=O)O	SCHEMBL5364870,PC-id_21108011	353.417	NTWXFUVTDUPWHH-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-100936
COC(=O)C1=CNC(=CSC1Cc1nn2c(c1)CSC2)C(=O)O	PC-id_21107980,SCHEMBL5368935	353.417	DYOITAMTVDQIQV-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-100937
COC(=O)C1=CNC(=CSC1Cc1nn2c(c1)SCC2)C(=O)O	SCHEMBL5370345,PC-id_69419641	353.417	XJSSYVUXNFFZRW-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-100938
O=C[C@@H]([C@@H]1NC(=C([C@@H]1C)S[C@H]1C[n+]2n(C1)cnc2)C(=O)O)[C@H](O)C	PC-id_49866715	353.417	FXUMZXFCLFWWAR-CNVPUSNMSA-O	00000011100000000001000010000000000000000000000000000000	25-01-100939
O=C(NS(=O)(=O)Cc1noc(C2CC2)n1)C1Cc2cscc2C1	ZINC22_2325821718	353.417	UNGHZTKCKPXBLR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-100940
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1cnc2)C(=O)O	PC-id_14124283	353.417	RLZUWWVOAHPDQM-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100941
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1ncc2)C(=O)O	PC-id_14124239	353.417	YOPWAVFPGZSUOY-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100942
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2nccc12)C(=O)O	PC-id_14124363	353.417	LSVMLJWWHTUGFS-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100943
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(C1)cnc2)C(=O)O	PC-id_14124246	353.417	YVIHMQRNYNZLQM-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100944
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(ncc2)C1)C(=O)O	PC-id_14124241	353.417	ACADQZRRTGQUIG-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100945
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1CCn2c1ncc2)C(=O)O	PC-id_10428155	353.417	YOPWAVFPGZSUOY-RWFUBLIZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100946
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1cnc2)C(=O)O	PC-id_10428156	353.417	RLZUWWVOAHPDQM-QRKAXHLRSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100947
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1cnc2)C(=O)O	PC-id_10450732	353.417	RLZUWWVOAHPDQM-NNXMZFEESA-N	00001011100000000001001010000000000000000000000000000000	25-01-100948
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1Cn2c(C1)cnc2)C(=O)O	PC-id_10405815	353.417	YVIHMQRNYNZLQM-NNXMZFEESA-N	00001011100000000001001010000000000000000000000000000000	25-01-100949
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1Cn2c(C1)cnc2)C(=O)O	PC-id_9975383	353.417	YVIHMQRNYNZLQM-QRKAXHLRSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100950
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1Cn2c(ncc2)C1)C(=O)O	PC-id_10383442	353.417	ACADQZRRTGQUIG-PNFUHCLESA-N	00001011100000000001001010000000000000000000000000000000	25-01-100951
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1Cn2c(ncc2)C1)C(=O)O	PC-id_10450731	353.417	ACADQZRRTGQUIG-VENHTOENSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100952
c1(NC(=O)CNC(=O)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387482,MCULE-6011535475	353.437	AGHHNNSQQSKCPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101012
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2nccc12)C(=O)O	PC-id_57088079	353.417	LSVMLJWWHTUGFS-YTCJJDFUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100953
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1Cn2c(C1)cnc2)C(=O)O	PC-id_57285904	353.417	YVIHMQRNYNZLQM-YTCJJDFUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100954
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(O)O)C1C[n+]2n(C1)cnc2	PC-id_72682769	353.417	JUIGRUIIJYFTSC-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100955
S(C1=C(N2[C@@H]([C@H](C2=O)C(O)C)[C@H]1C)C(O)O)C1C[n+]2n(C1)cnc2	PC-id_457414	353.417	JUIGRUIIJYFTSC-WAOAVRLKSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100956
S(C1=C(N2[C@H]([C@H](C2=O)C(O)C)[C@H]1C)C(O)O)C1C[n+]2n(C1)cnc2	PC-id_60204988	353.417	JUIGRUIIJYFTSC-IKBIKEAHSA-N	00001011100000000001001010000000000000000000000000000000	25-01-100957
S(=O)(=O)(N(C)C)c1ccc(C(=O)Nc2onc3c2CSC3)cc1	PC-id_49720091	353.417	RNIGYBYTHRLGEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100958
c12CN(Cc1n(nc2)CCO)Cc1ccc(cc1)OCCn1ccnc1	MCULE-2904668369,EMOLS-id_50549095,ZINC22_216457979,PC-id_77097369	353.418	WOISSDVQUPSGTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100959
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)Nc1ccc(c(C)c1)C	EMOLS-id_207862920,MCULE-9029894814	353.418	TZFJBSIZOOQIOH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-100960
C1(CC(=O)N(Cc2ccccn2)C1)C(=O)N(C)Cc1c2CCCc2[nH]n1	PC-id_72860374,MCULE-1780783418,EMOLS-id_48433068	353.418	NEZTWLIIJSKDFM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100961
c1(C(=O)N2CCCN(CC2)C(=O)c2cccc(C)n2)c2CCCc2[nH]n1	PC-id_134696351,MCULE-3534927844,ZINC22_1529099158,EMOLS-id_316147112	353.418	RTARAQXSBGDMCQ-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-100962
c1(C(=O)N2CCCN(CC2)C(=O)Cc2cccnc2)c2CCCc2[nH]n1	MCULE-8917285056,EMOLS-id_316179412,PC-id_134704030,ZINC22_1529152836	353.418	ZDSBMKFVVJNVGM-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-100963
Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110515612	353.418	RRBDHJCJMIGUEO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100964
Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111320497	353.418	CWGMHPAUMZBGLY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100965
Cc1cc(C(=O)NCCc2nnc3n2CCC3)c(C)n1Cc1ccco1	PC-id_53513753,ZINC22_65551534,MCULE-6024091293,EMOLS-id_35706168	353.418	AJWPCYMQGPOQID-UHFFFAOYSA-N	00000010111000000001000010000000000000000000000000000000	25-01-100966
CC(C(c1nnc2n1CCC2)NC(=O)C1=NOC(C1)c1ccccc1)C	MCULE-7001926081,EMOLS-id_43375233,PC-id_72139042	353.418	MLHZVOPHEHDNCS-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100967
CC(C)[C@H](NC(=O)C1=NO[C@H](c2ccccc2)C1)c1nnc2n1CCC2	PC-id_96017892,ZINC22_75607087	353.418	MLHZVOPHEHDNCS-RDJZCZTQSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100968
CC(C)[C@@H](NC(=O)C1=NO[C@H](c2ccccc2)C1)c1nnc2n1CCC2	ZINC22_75607089,PC-id_96017893	353.418	MLHZVOPHEHDNCS-DOTOQJQBSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100969
CC(C)[C@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1nnc2n1CCC2	ZINC22_75607091,PC-id_96017894	353.418	MLHZVOPHEHDNCS-WBVHZDCISA-N	00000011100000110001100010000000000000000000000000000000	25-01-100970
CC(C)[C@@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1nnc2n1CCC2	ZINC22_75607093,PC-id_96017895	353.418	MLHZVOPHEHDNCS-NVXWUHKLSA-N	00000011100000110001100010000000000000000000000000000000	25-01-100971
CN(Cc1n[nH]c2c1CCC2)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	PC-id_97272228,ZINC22_95503991	353.418	NEZTWLIIJSKDFM-CYBMUJFWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100972
CN(Cc1n[nH]c2c1CCC2)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC22_95503992,PC-id_97272229	353.418	NEZTWLIIJSKDFM-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-100973
NC(=O)C1CCN(CC1)c1ccccc1NC(=O)c1cnc2n1CCC2	EMOLS-id_318150831	353.418	ASNGSZBRFNOPQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100974
O=C(C1CCCCC1)Nc1cccc(c1)NC(=O)N1CCn2c1ncc2	MCULE-6369467045,EMOLS-id_320124219	353.418	KIDNLKLSUFNVFA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100975
O=C(c1ccccn1)NCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98329926	353.418	AJZBOGPTZKDTRA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-100976
O=C(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)NCc1cccnc1	EMOLS-id_98018767	353.418	ZQVJAOJYXITQEK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-100977
O=C(c1cnn2c1CCC2)Nc1cc(ccc1N1CCCCC1)C(=O)N	PC-id_121860298,MCULE-8481103918,EMOLS-id_72432616	353.418	QOYYHNBIHRXCTH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-100978
O=C(CN1CCC[C@H](C(=O)N2CCn3nccc23)C1)Nc1ccccc1	ZINC22_585082139	353.418	NKKXIYADSJSQPL-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100979
O=C(CN1CCC[C@@H](C(=O)N2CCn3nccc23)C1)Nc1ccccc1	ZINC22_585082140	353.418	NKKXIYADSJSQPL-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100980
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)C1CCCC1)NCc1ccccc1	PC-id_68440463,SCHEMBL2917908	353.418	BJBIMDSRHBHKDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100981
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccc(N3CCCC3)cc2)C1)C	SCHEMBL2918482,PC-id_68440620	353.418	YOMZANLDGFJMHZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100982
O=C(N1CCCC1)Nc1cccc(c1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98553630	353.418	FRMVATYRHVDJFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100983
O=C(N1CCN(CC1)C(=O)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101581101	353.418	ZNOAKOKCJNRKHW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100984
O=C(Nc1ccccc1)CN1CCCC(C1)C(=O)N1CCn2c1ccn2	EMOLS-id_177202498,MCULE-5635321634	353.418	NKKXIYADSJSQPL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-100985
c1(NC(=O)CSc2nnnn2C)sc2c(CCC2)c1C(=O)OC	MCULE-5713622426,ZINC22_6731457,CoCoCo_1051338,PC-id_6469254,EMOLS-id_2547991,TIMTEC397445	353.42	QDCQANAQPZNHNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100986
NOC(=O)c1c(NC(=O)CSc2nncn2C)sc2c1CCC2	SCHEMBL2116062,PC-id_57664342	353.42	HHFUNCSUDCXBDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-100987
O=C(c1ccc(cc1)S(=O)(=O)N(C)C)Nc1nnc2n1CCS2	PC-id_22582978,ChEMBL-DNDi_CHEMBLF2079-0126,CoCoCo_2590538	353.42	UPBLQPUZTGYHIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-100988
O=C(c1nc(c2nccnc2)sc1)Nc1c(C#N)c2c(CCC2)s1	EMOLS-id_322837433,MCULE-2417995383	353.421	DHGDCEBIEZLCRI-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-100989
CN=C(NC1CC(=O)N(C1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_111912654	353.422	SXVZITOUEQJUBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-100990
n12N=C(C(C)(C)C)C(=NNC3=NN=C(C(C)(C)C)C3=C=N)c1nc(n2)C	PC-id_72243392	353.425	MDOKYJLEJOKNDN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100991
n12N=C(C(C)(C)C)C(=NNC3=NN=C(C(C)(C)C)C3=C=N)c1nnc2C	PC-id_72362475	353.425	HOTVCNSRIVYZFF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100992
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(C(C)(C)C)c3C#N)c1nc(n2)C	PC-id_59247733	353.425	LKFFKJQTDUINKN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100993
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(C(C)(C)C)c3C#N)c1nnc2C	PC-id_59247777	353.425	HHVFILAXFNFMGG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100994
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(C(C)(C)C)c3[N+]#[C-])c1nc(n2)C	PC-id_59247734	353.425	UXKPUOQCCPZTAR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100995
n12N=C(C(C)(C)C)/C(=N/Nc3n[nH]c(C(C)(C)C)c3[N+]#[C-])/c1nnc2C	PC-id_59650257	353.425	WTQCHQCZHZMESB-JAIQZWGSSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100996
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(C(C)(C)C)c3[N+]#[C-])c1nnc2C	PC-id_59702975	353.425	WTQCHQCZHZMESB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-100997
c12CCCc1c(C(=O)OCC)c(NC(=O)CCCCC(=O)OC)s2	MCULE-1343662393,PC-id_46094833,EMOLS-id_25510380	353.433	ZZUBRXKTEVFFLW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100998
C(C)(C)(C(=O)OCC)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-7939435130,EMOLS-id_328158293	353.433	XJDCFHRXHWXCBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-100999
CCOC(=O)c1c(NC(=O)CC(C)(C)CC(=O)O)sc2c1CCC2	ZINC22_12919983,EMOLS-id_18899802,MCULE-9545444818,CoCoCo_4359610,PC-id_25604961	353.433	CWYSNMMNGSMVJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101000
CCOC(=O)c1c(NC(=O)CCCCCC(=O)O)sc2CCCc12	EMOLS-id_328050492,MCULE-2306351341	353.433	RINNMDLJGZWSCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101001
CCOC(=O)CCCC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-7320203986,EMOLS-id_328184959	353.433	WPYMJDCWSRULGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101002
s1c2CCCc2cc1C(=O)OCC(=O)NC(C(CC)C)C(=O)OC	PC-id_18201645	353.433	VMMROEZDNOTZDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101003
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(C)C)C(=O)OC	PC-id_41421797	353.433	LZMISQUPSBUCMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101004
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC(C)(C)C)C(=O)OC	PC-id_41992881	353.433	BDXPACINPSRULC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101005
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCC)C(=O)OCC	PC-id_7790323	353.433	HBWYLVLOMVLCMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101006
OC(=O)C1Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)NC(C)(C)C	SCHEMBL9458937,PC-id_19759866	353.435	XXXXUPMBTKRLGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101007
S1(=O)(=O)C(=Cc2c1sc(S(=O)(=O)N)c2)COCCOCC	PC-id_10594229	353.435	ZXLRYDNFJFSMEE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-101008
S(=O)(=O)(Nc1sc2c(CCC2)c1C(=O)O)CCS(=O)(=O)C	PC-id_63244909	353.435	WCASHQOHJQJHRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101009
Cc1cc(C)n(c2ccc(F)cc2CN(C)Cc2n[nH]c3c2CCC3)n1	ZINC22_97570841,EMOLS-id_49658154,MCULE-3843714403,PC-id_74239534	353.436	XINKWNKGLXEAMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101010
c1(NC(=O)CN2CCN(CC2)CCO)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130979,MCULE-9072338210,PC-id_28866138	353.437	BKACANWNVYHUMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101011
c1(NC(=O)C(=O)NCCCN(C)C)sc2c(CCC2)c1C(=O)OC	ZINC22_6756148,EMOLS-id_4743397,CoCoCo_6533757,MCULE-2170436265,PC-id_8069960,STOCK6S-12527	353.437	MEWMEGZNUBHGDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101013
c1(NC(=O)C(=O)NCCN(C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_4737082,STOCK6S-08280,ZINC22_6669400,PC-id_8034501,MCULE-6884553143,CoCoCo_6533780	353.437	HMDKSZRNHSADSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101014
c1(NC(=O)NCCN2CCOCC2)sc2c(CCC2)c1C(=O)OC	STOCK6S-09350,PC-id_8035193,ZINC22_20573476,CoCoCo_6533751,EMOLS-id_4738696,MCULE-9699736956	353.437	BYAFRBRSCXZBAX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101015
O=C(C1CCC(=O)C(C1(C)C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389768	353.437	ZLHYTKGOULXOCX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101016
O=C(NS(=O)(=O)c1cnc2n1CCC2)C[C@H]1C[C@H](C1(C)C)C(=O)C	EMOLS-id_110389716	353.437	OFECAONPZQMODS-NEPJUHHUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-101017
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N(C)C)C)C(=O)OC	PC-id_33066061	353.437	IEKDIABICUQTIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101018
CC(=O)Nc1cccc(CCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-2741361389,EMOLS-id_327967233	353.438	UAFUWWFMFMXWEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101019
N#Cc1c(NC2(c3ccc([N+](=O)[O-])cc3)CCCC2)sc2c1CCC2	EMOLS-id_43007093,PC-id_50896176,ZINC22_57351146,SPECS-id_AN-153/KC18276,MCULE-4681261615	353.438	FEHLKMQRXPQJLG-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-101020
O=C1NC(=C[C@@H](c2ccccc2)N1)C(=O)NCc1cc2c(s1)CCC2	ZINC22_2325815492	353.438	NXARSKNIOSKVHO-HNNXBMFYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-101021
O=C1NC(=C[C@H](c2ccccc2)N1)C(=O)NCc1cc2c(s1)CCC2	ZINC22_2325815493	353.438	NXARSKNIOSKVHO-OAHLLOKOSA-N	00000010100011110001100010000000000000000000000000000000	25-01-101022
O=C(c1occ2c1CCC2)NCCCc1scc(n1)c1ccccn1	EMOLS-id_316649939	353.438	ZTTIEVNXRVDFSY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101023
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)OCCn1cccn1	PC-id_86998718	353.438	AAHORODEUAKKTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101024
O=C(c1sc2c(c1)CCC2)Nc1c(=O)n(n(c1C)C)c1ccccc1	CoCoCo_3231127,PC-id_2540324,MCULE-8729940116,EMOLS-id_3705003	353.438	MZRHLUNPONECMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101025
CCO[P+](c1ccc(cc1)OC)(Nc1sc2c(c1)CCC2)[S-]	PC-id_122379318	353.439	YYLUYPLOXZKFPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101026
CC(c1nnc2n1CCC2)NS(=O)(=O)Cc1noc(c1)C(C)(C)C	EMOLS-id_98202946	353.44	HOOAQFMYGROQML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101027
C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2nccn12	ZINC22_527992662	353.44	ZTNWUPQUHQJNKS-AAEUAGOBSA-N	00100010100010000001000010000000000000000000000000000000	25-01-101028
C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2nccn12	ZINC22_527992672	353.44	ZTNWUPQUHQJNKS-DGCLKSJQSA-N	00100010100010000001000010000000000000000000000000000000	25-01-101029
C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2nccn12	ZINC22_527992676	353.44	ZTNWUPQUHQJNKS-WCQYABFASA-N	00100010100010000001000010000000000000000000000000000000	25-01-101030
C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2nccn12	ZINC22_527992679	353.44	ZTNWUPQUHQJNKS-YPMHNXCESA-N	00100010100010000001000010000000000000000000000000000000	25-01-101031
O=C1CNCCN1C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	MCULE-9412510069,PC-id_120875710,EMOLS-id_302852507	353.44	MPUHSDAEIYRDEG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101032
O=C1CNCCN1[C@@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC22_253416028	353.44	MPUHSDAEIYRDEG-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101033
O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC22_253416029	353.44	MPUHSDAEIYRDEG-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101034
O=C1NCCCN1C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226107	353.44	HSKOHNSAQFPADP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101035
O=C(CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)NC1CC1	EMOLS-id_100182225	353.44	KYIZAWSHHZNZLA-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-101036
c1(NC(=O)c2cccc(c2)n2c(C)cc(C)n2)n(C)nc2CSCc12	EMOLS-id_316228109,ZINC22_1529186865,PC-id_134711569,MCULE-6607466483	353.441	LLUSERHFNFFTAJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101037
c1(NC(=O)C2CCN(CC2)c2ncccn2)sc2c(CCC2)c1C#N	EMOLS-id_322821420,MCULE-1531103773	353.441	IOMRVTBYLFZKOK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-101038
Cc1ccc(c2nc(C(=O)NCc3nnc4n3CCC4)cs2)c(C)c1	EMOLS-id_32131455,MCULE-4405124411,PC-id_51128492,ZINC22_58279009	353.441	RFUYPDBOCDCVHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101039
Cc1cc(C)n(c2ccc(C(=O)NCc3cn4c(n3)SCC4)cc2)n1	ZINC22_77406437,MCULE-1279361815,EMOLS-id_43576469,PC-id_70740816	353.441	DLHASOIFDOJECK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101040
Cc1nc(C)c(c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)s1	MCULE-8628861411,PC-id_119060929,EMOLS-id_82706189,ZINC22_426404424	353.441	YKPIGQFJYCQZTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101041
Cc1nn(c(C)c1CC(=O)Nc1nc2CCCc2s1)c1ccccn1	MCULE-4864620280,EMOLS-id_323393472	353.441	LGZWEJUIKXTOTD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101042
CN(C(=O)c1n[nH]c2c1CN(C2)Cc1cccs1)Cc1ccccn1	PC-id_97389049	353.441	FJWCTMXPNRVFCO-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-101043
N#Cc1c(NC(=O)C2CCCN(C2)c2ncccn2)sc2c1CCC2	MCULE-2162791796,EMOLS-id_48771878,PC-id_75414268	353.441	YDASLYCCMUOXTK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-101044
N#Cc1c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)sc2c1CCC2	ZINC22_95948620,PC-id_97311234	353.441	YDASLYCCMUOXTK-LBPRGKRZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-101045
N#Cc1c(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)sc2c1CCC2	ZINC22_95948621,PC-id_97311235	353.441	YDASLYCCMUOXTK-GFCCVEGCSA-N	00000010100010100001100010000000000000000000000000000000	25-01-101046
N#Cc1nccnc1N1CCN(C(C1)C)C(=O)c1sc2c(c1)CCC2	EMOLS-id_111227837	353.441	DFCZFMHQWRZEIY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-101047
O=C(c1cnc2n1CCC2)NCCCc1scc(n1)c1ccccn1	EMOLS-id_319844191	353.441	VRXXCAIXCGTYMJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101048
O=C(c1cnn2c1CCC2)NCCCc1scc(n1)c1ccccn1	MCULE-4532470765,EMOLS-id_319974061	353.441	AHDRNDAEZBWEFF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101049
O=C(c1n[nH]c2c1CCC2)NCCCc1scc(n1)c1ccccn1	EMOLS-id_316660473	353.441	SQBVRJALWOZXRO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101050
CCCc1ccccc1C(=O)c1c(C)cc2n1CCC2C(=O)OC(C)C	PC-id_20351573,SCHEMBL11603526	353.455	GBYWZCAMSQPWLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101051
CCCCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OC(C)C	PC-id_20351602,SCHEMBL11602864	353.455	FGXSKFYPLFRXBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101052
CCCCc1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)OC(C)C	SCHEMBL11601897,PC-id_20351629	353.455	ZBZLHZSMBCGJPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101053
CCCCCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccccc1C	SCHEMBL7677005,PC-id_15485824	353.455	KDVFDBBZEPTJNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101054
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCCCCCC	PC-id_11717325	353.455	IWHZZYAYGCZJET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101055
O=C(C1CCS(=O)(=O)C1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170368	353.456	WXWIBLNFSYHGNS-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-101056
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@H](C1)C)C)C(=O)OC	PC-id_2383891	353.456	HJKFSURJBPGLBF-PHIMTYICSA-O	00000010100010000001000010000000000000000000000000000000	25-01-101057
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@@H](C1)C)C)C(=O)OC	PC-id_2383894	353.456	HJKFSURJBPGLBF-GHMZBOCLSA-O	00000010100010000001000010000000000000000000000000000000	25-01-101058
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@H](C1)C)C)C(=O)OC	PC-id_2383896	353.456	HJKFSURJBPGLBF-QWRGUYRKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-101059
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(OC(C1)C)C)C(=O)OC	PC-id_78270389	353.456	HJKFSURJBPGLBF-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-101060
c12CN(Cc1nn(CC1CC1)c2C(=O)OC(C)(C)C)Cc1ccccc1	MCULE-2820365845,EMOLS-id_324349028	353.458	VQFJXHUAMGTJBH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101061
c12CN(Cc1nn(CC1CCCC1)c2C(=O)OCC)Cc1ccccc1	MCULE-7728341636,EMOLS-id_324345953	353.458	JEAONTFFLXVQPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101062
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)OC)Cc1ccccc1	EMOLS-id_324342893,MCULE-7267069767	353.458	CRRJSEJCLMAHIU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101063
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CCc2cccc(OC)c2)C1	PC-id_45225405,EMOLS-id_20637005,MCULE-2677698422	353.458	SZPIDFIZXYFAJI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101064
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)(C)C)C1	PC-id_134706635,EMOLS-id_316175085,MCULE-3461098013,ZINC22_1529168002	353.458	TVPDOMAGILALKR-ZWKOTPCHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101065
c1(C(=O)N2CC[C@H]([C@H](Cc3ccccc3)C2)OC)c2CCCc2n(C)n1	ZINC22_585277894,LAS-52260244,EMOLS-id_171924941,MCULE-7002619791	353.458	YVHPPDLZRGDNPR-VQIMIIECSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101066
CCCCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261677	353.458	RTXXDBLHICPDKU-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101067
CN1CCN(Cc2ccc(CNC(=O)c3occ4c3CCC4)cc2)CC1	PC-id_146086192,MCULE-3333169872,EMOLS-id_324011015,ZINC22_506516833	353.458	RUFACPZSCOSCLY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101068
COc1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109756	353.458	LJHQPAFPENQCDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101069
COc1cccc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109757	353.458	CXAJGXWNAKFRJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101070
COc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109758	353.458	NXSQTZRVDLSEAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101071
COc1cccc(CC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	CoCoCo_1474131,PC-id_42511156,ZINC22_12299964,CoCoCo_1474129	353.458	SZPIDFIZXYFAJI-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101072
COc1cccc(CC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	CoCoCo_1474132,ZINC22_12299962,PC-id_42511153,CoCoCo_1474130	353.458	SZPIDFIZXYFAJI-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101073
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)CCO	EMOLS-id_328337308,MCULE-4224126832	353.458	HBWOZKBSDFKSBF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101074
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCN1CCC(O)C1	MCULE-3856927774,EMOLS-id_328212605	353.458	OYHNOHSMDNMOSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101075
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCN1CCOCC1	EMOLS-id_328214130,MCULE-9350165567	353.458	DZANOGSYIZEVCF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101076
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)COc1ccccc1	PC-id_92109795	353.458	ZQRRYOSLBJQFNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101077
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)OCc1ccccc1	PC-id_92109930	353.458	YHKJPLLBJLUCLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101078
c1(NC(=O)C2CCCCN2S(=O)(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_43483997,PC-id_44086828,MCULE-5017737307	353.46	KUPOOONEYJPKES-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101079
c1(NC(=O)C2CCCN(C2)S(=O)(=O)C)sc2c(CCC2)c1C#N	MCULE-5980583590,PC-id_44086230,EMOLS-id_30146693	353.46	PQWVBOZBHAHPRI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101080
c1(NC(=O)C2CCN(CC2)S(=O)(=O)C)sc2c(CCC2)c1C#N	ZINC22_13704789,MCULE-5264892961,PC-id_49697939,EMOLS-id_43483975	353.46	ONSNELZOURIGPG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101081
c1(NC(=O)CSC2=NCCN2)sc2c(CCC2)c1C(=O)OCC	MCULE-3969831159,PC-id_33698836,ZINC22_26441703,CoCoCo_5791908	353.46	SDIIHYHFZBGYIN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-101082
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CC(=O)NCCC	MCULE-5854583848,EMOLS-id_186638167	353.46	LSUWPPWAFPGMGT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101083
CC1OC(CN(C1)S(=O)(=O)c1cnc2n1CCC2)c1ccsc1	EMOLS-id_100238428	353.46	YONOGTLOESIMBT-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-101084
CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2	GD-id_ZINC13792522,ZINC22_13792522,PC-id_92460446	353.46	KUPOOONEYJPKES-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101085
CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_13792524,PC-id_92460447	353.46	KUPOOONEYJPKES-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101086
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1	PC-id_51528565,ZINC22_13790099	353.46	PQWVBOZBHAHPRI-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101087
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1	PC-id_51528566,ZINC22_13790101	353.46	PQWVBOZBHAHPRI-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-101088
N#Cc1c(NC(=O)C(N2CCS(=O)(=O)CC2)C)sc2c1CCC2	EMOLS-id_98515335	353.46	MLKQFHHIHWSSOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101089
O=S(=O)(c1cccs1)N1Cc2nc(CN3CCCCC3)oc2C1	ZINC22_96260269,CHEMBL3552512,EMOLS-id_44372098,PC-id_97520344	353.46	JCLHCOULFYAUSK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-101090
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC(=O)NCC)C(=O)N	PC-id_9433136	353.46	BQUJPXDJAHICAR-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-101091
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)C)C(=O)N	PC-id_9049368	353.46	NENYAIGPYUNPSI-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-101092
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NCCC)C)C(=O)N	PC-id_9303184	353.46	YGTHTSFFCCUMOG-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-101093
s1c2c(CCC2)c(c1NC(=O)NCCC[NH+]1CCOCC1)C(=O)N	PC-id_8035144	353.46	WWTRMGGOKAEGQP-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-101094
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1ccc(OCC)cc1	PC-id_7640540	353.46	ZCLNDODOBCXTHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101095
S(=O)(=O)(NCCc1nc2SCCn2c1)c1cc(c(OC)cc1)C	PC-id_7640530	353.46	WEGWVZUSMZAUKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101096
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(OC)ccc(c1)C	PC-id_7640531	353.46	YDOKHCWXQFZYHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101097
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1nccn1CC1CCC1	PC-id_72892432,EMOLS-id_46627204,MCULE-4998674389	353.461	ZRCGMRAWKCESQT-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-101098
c1(C(=O)N2CCC(CC2)c2nccn2CC2CCC2)c2CCCc2[nH]n1	EMOLS-id_44723674,ZINC22_91656973,MCULE-4144882596,PC-id_70747090	353.461	CZHKOGCDMYMBNE-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-101099
c1(C(=O)Nc2ccc(cc2)N2CCN(CC2)CC)c2CCCc2n(C)n1	PC-id_84467430,MCULE-4309731870,EMOLS-id_320481549	353.461	XLVGHTYYUBMCEV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101100
c1(NC(=O)CSCc2cccc(c2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_181324199,MCULE-6064356594,PC-id_84411076	353.461	PUMVUKOFNSZKFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101101
c1(NC(=S)NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C#N	PC-id_1039998,MCULE-5549403875	353.461	ZGQIXYJGMXLCBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101102
Cc1ccc(c(c1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101418729	353.461	NRRUUCPNLRDLJA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101103
Cc1ccc(CCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1	EMOLS-id_324910595	353.461	QVURHEDHHAPYHO-GDNBJRDFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-101104
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2nnc3n2CCC3)cc1	PC-id_97005710,ZINC22_84148734	353.461	QNXIYBAMBXDKAQ-KXBFYZLASA-N	00000010100010110001100010000000000000000000000000000000	25-01-101105
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_84148732,PC-id_97005708	353.461	QNXIYBAMBXDKAQ-BEFAXECRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101106
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_84148733,PC-id_97005709	353.461	QNXIYBAMBXDKAQ-DNVCBOLYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101107
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_84148735,PC-id_97005711	353.461	QNXIYBAMBXDKAQ-HNAYVOBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101108
CC1CCCN(C1c1ccc(cc1)C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_44569886,PC-id_71874826,MCULE-3582350166	353.461	QNXIYBAMBXDKAQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101109
Cc1ccc(NC(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)cc1	PC-id_97519225,EMOLS-id_44369822,ZINC22_96259136	353.461	FDZBBLOLMMHPEY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101110
Cc1nc(c2n1C(=O)N(C2)CCN1CCN(CC1)Cc1ccccc1)C	SCHEMBL3449592,PC-id_23138409	353.461	LHGYIGSMSZTGEI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101111
CCc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324830970	353.461	OTVNUBJPCISQPZ-GDNBJRDFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-101112
CCc1ccc(cn1)C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	ZINC22_1565545151,EMOLS-id_313733331	353.461	ATBYJVVBGPGCGX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101113
C[C@H](NC(=O)C1(Cc2ccccc2)CCNCC1)c1nnc2n1CCC2	ZINC22_2325780046	353.461	CUADNPWGCQNWTM-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101114
C[C@@H](NC(=O)C1(Cc2ccccc2)CCNCC1)c1nnc2n1CCC2	ZINC22_2325780047	353.461	CUADNPWGCQNWTM-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101115
CC(N1CCN(CC1)c1cccc(c1)NC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98512176	353.461	NZHVKLRGBZGPNH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101116
CCN1CCN(CC1)Cc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98045836	353.461	PJHOTYIUMLUMBU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101117
CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_313175042,ZINC22_266399307,MCULE-3417910800	353.461	LOHKYGZPSYOJLT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-101118
CC(NC(=O)c1n[nH]c2c1CCC2)CN1CCN(CC1)c1ccccc1	EMOLS-id_99622647	353.461	UGFCECOGEVKYGO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101119
CC(=O)N1CCN(CC1)Cc1ccccc1NCc1cnc2n1CCC2	EMOLS-id_318133423	353.461	WOLQXKBNDNLRQK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101120
CN1CCN(Cc2ccc(C(=Nc3c4c(nn3C)CCC4)O)cc2)CC1	MCULE-4537167909,EMOLS-id_98810281,ZINC22_329183742	353.461	FSBYOHWEIBTVBI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101121
CN(C1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)CCc1ccccn1	Chemmine_37765,PC-id_45176906	353.461	LAWXLYOZUWRWAR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101122
CN([C@H]1CCCN(C1)C(=O)c1[nH]nc2c1CCC2)CCc1ccccn1	CoCoCo_1169827,PC-id_42098169,CoCoCo_1169824,CoCoCo_1169828,CoCoCo_1169823	353.461	LAWXLYOZUWRWAR-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101123
CN([C@@H]1CCCN(C1)C(=O)c1[nH]nc2c1CCC2)CCc1ccccn1	PC-id_42098167,CoCoCo_1169822,CoCoCo_1169821,CoCoCo_1169826,CoCoCo_1169825	353.461	LAWXLYOZUWRWAR-MRXNPFEDSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101124
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)Cc1cccs1	MCULE-4707083000	353.461	OTVNUBJPCISQPZ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-101125
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCc1ccc(cc1)C	MCULE-4806373110	353.461	QVURHEDHHAPYHO-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-101126
n1c(CNC(=O)Nc2ccccc2CN2CCCCC2)c2c(CCC2)[nH]1	PC-id_118772729,ZINC22_299786312,MCULE-2945691141,EMOLS-id_68895361	353.461	KTWISFLMIALNQX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101127
N#Cc1c(NC(=S)NC(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_595002	353.461	ZGQIXYJGMXLCBH-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101128
N#Cc1c(NC(=S)NC(=O)/C=C/c2ccccc2)sc2c1CCC2	EMOLS-id_25841029,ZINC22_14041127,SPECS-id_AG-205/33143058,PC-id_1039999,CoCoCo_595001	353.461	ZGQIXYJGMXLCBH-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101129
O=C(c1cnn2c1CCC2)NCC1(N)CCN(CC1)Cc1ccccc1	EMOLS-id_318072128	353.461	COJHYBRTBWSNJU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101130
O=C(c1nn(c2c1CN(C2)CC1CCCCC1)C)NCc1cccnc1	EMOLS-id_207863137,MCULE-8431248536	353.461	YHIGPXOSGMZYRE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101131
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccn2CC2CCC2)C1	PC-id_97199376,ZINC22_95373666	353.461	ZRCGMRAWKCESQT-OAHLLOKOSA-N	00001010100010000001100010000000000000000000000000000000	25-01-101132
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccn2CC2CCC2)C1	ZINC22_95373667,PC-id_97199377	353.461	ZRCGMRAWKCESQT-HNNXBMFYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-101133
O=C(CSCc1ccc(cc1)C#N)Nc1sc2CCCc2c1C#N	PC-id_84411154,EMOLS-id_181324656,MCULE-2912437087	353.461	NUHVPKMNYGVMKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101134
O=C(N1CCN(CC1)c1cccc(c1C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101434173	353.461	GFEBFVFSBAFFJM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101135
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)CCN1CCCCC1	PC-id_68438540,SCHEMBL2913011	353.461	QWTZIBHOYOXEQA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101136
O=C(NCCc1nnc2n1CCC2)c1ccc(CN2CCCCC2)cc1	ZINC22_69391568,MCULE-4642283460,PC-id_53523288,EMOLS-id_36273859	353.461	YGWCKENQMGKBNA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101137
Cc1csc(n1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100173950	353.463	FUTJMFLMTWHCGT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101138
Cn1ncc(c1)C1CSCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100369203	353.463	OCWKPGBCSNHMPC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101139
O=S(=O)(c1cnc2n1CCC2)N1CCCN(CC1)c1nccs1	EMOLS-id_100194753	353.463	XPYFTIPMLCXQCF-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-101140
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)Cc1cscn1	EMOLS-id_100201299	353.463	KKBGJFWUBWDRFY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101141
O=S(=O)(c1cnc2n1CCC2)NC1CCN(CC1)c1nccs1	EMOLS-id_99702227	353.463	QTHCBEVHJZERDR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101142
s1nc2n(CCN2C(=S)Nc2ccccc2)/c/1=N/c1ccccc1	PC-id_24204737,NSC732633	353.464	XJFXHLNGLULCEN-ZPHPHTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-101143
C1C(Nc2nsc(=Nc3ccccc3)n12)C(=S)Nc1ccccc1	PC-id_136750347	353.465	CQWNVBCBUMDVOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101144
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ccccc1	PC-id_110962017	353.465	NSPBCVYXLFXDIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101145
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ccccc1	PC-id_111909121	353.465	RFIWEBBXKHWOMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101146
CN=C(N1CCN(CC1)Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_110960451	353.465	QLAGMVIGTVYAHP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101147
CN=C(NC1CCN(C1)c1ccc(cc1)C)NCc1nnc2n1CCC2	PC-id_111923271	353.465	JDCQEUHAOZTBJU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101148
CN=C(NC1CCN(C1)Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_119132458	353.465	GBVLZMPJGFMGPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101149
NC(=NCc1nnc2n1CCC2)NC1CCN(CC1)Cc1ccccc1	PC-id_119117957	353.465	RPMHYIBYSOUTPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101150
s1c2C(C(O)Cc2nc1CCCC(=O)O)C=CC(O)CCCCC	PC-id_74035181	353.476	JJYUTUFXCNWINP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101151
s1c2[C@H]([C@H](O)Cc2nc1CCCC(=O)O)/C=C/C(O)CCCCC	PC-id_23254894	353.476	JJYUTUFXCNWINP-BBDKJXLNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101152
CCC(N1Cc2c(S1=O)cc(s2)/C=C/c1cccs1)C(=O)O	PC-id_70257782,SCHEMBL8025970	353.479	XLIWWFLPIVHQSX-AATRIKPKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-101153
S1(=O)N(C(CC)C(=O)O)Cc2sc(cc12)C=Cc1sccc1	PC-id_77805204	353.479	XLIWWFLPIVHQSX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-101154
c1(NC(=O)CC2CCCCC2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_3617082,ZINC22_3008391,EMOLS-id_5438305,MCULE-4476789727,CoCoCo_4982151	353.48	CGAJTJJNCYYYQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101155
CC1CCC(C(C1)C1CCCN1S(=O)(=O)c1cnc2n1CCC2)O	EMOLS-id_99702137	353.48	GYYPCKWPDZXJBJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101156
CCC(C(=O)NS(=O)(=O)c1cnc2n1CCC2)C1CCC(CC1)C	EMOLS-id_110481286	353.48	ASRADTARVFSIKQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101157
CCOC(=O)c1c(NC(=O)CNCCCN(C)C)sc2c1CCC2	ZINC22_25265996,MCULE-3820439377,PC-id_3936306,CoCoCo_3567980	353.48	YSVIYUPNRSSXRK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101158
O=C(Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)CCC1CCCC1	PC-id_3617083,CoCoCo_4982152	353.48	RWCNENJVQFJFBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101159
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC(C1CCCCC1)(C)C	EMOLS-id_110435719	353.48	FMSUDEUYBHWYDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101160
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)OC1CCCCC1	EMOLS-id_100197003	353.48	RHONFDDUMACOHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101161
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CC[NH+](CC1)C)C(=O)OC	PC-id_3698185	353.48	FYWWNBPHBMMFTL-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-101162
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)C)C(=O)OCC	PC-id_7458117	353.48	MXUOVNSVIWJCCE-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-101163
Cc1ccccc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324906499	353.481	PLMJLYCOLIFPST-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-101164
Cc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324903938	353.481	GULPKERERFSWJG-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-101165
Cc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324905475	353.481	YNOXVSUNBSCXPP-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-101166
Cc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_170621864,MCULE-6319726977,EMOLS-id_50556760,PC-id_51302805	353.481	KDVRSNBPLYCLLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101167
CCN(CCCC(=O)Nc1sc2CCCc2c1C#N)c1ccccc1	EMOLS-id_328139336,MCULE-3847788750	353.481	ZPTPTNWELOZABQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101168
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCC1CCCCC1	MCULE-7646435235	353.481	PLMJLYCOLIFPST-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-101169
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCC1CCCCC1	MCULE-1444007577	353.481	YNOXVSUNBSCXPP-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-101170
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)CCC1CCCCC1	MCULE-1572512801	353.481	GULPKERERFSWJG-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-101171
N#Cc1ccc(cc1)CN(C(=O)c1sc2c(c1)CCC2)CCN(C)C	PC-id_86990906	353.481	STNQAYAVUHEQKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101172
s1c2CCCc2cc1C(=O)NN=C1CCN(CC1)Cc1ccccc1	PC-id_9462524	353.481	QHBUFSQYZMLFJH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-101173
s1c2CCCc2c(c1NC(=O)CCN(c1c(cccc1)C)CC)C#N	PC-id_56525315	353.481	DPJJVBTYZBJPLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101174
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccccc1)CC)C#N	PC-id_51302600	353.481	YHUILXMPCRMBBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101175
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(cccc1)C)C)C#N	PC-id_51302776	353.481	WGJFSUIZVFIUJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101176
s1c2CCCc2c(c1NC(=O)CCN(C(c1ccccc1)C)C)C#N	PC-id_51302993	353.481	WNLFYSFBBVGEQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101177
s1c2CCCc2c(c1NC(=O)CN(Cc1ccc(cc1)CC)C)C#N	PC-id_4818783	353.481	GRHAPVFMCAAFDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101178
s1c2CCCc2c(c1NC(=O)CN(Cc1c(cc(cc1)C)C)C)C#N	PC-id_9045567	353.481	SHKZCEAREWFARF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101179
s1c2CCCc2c(c1NC(=O)CNC(C(C)C)c1ccccc1)C#N	PC-id_84934452	353.481	OAUOBTKTEKHCOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101180
s1c2CCCc2c(c1NC(=O)CN[C@@H](C(C)C)c1ccccc1)C#N	PC-id_9131968	353.481	OAUOBTKTEKHCOO-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-101181
s1c2CCCc2c(c1NC(=O)CN[C@H](C(C)C)c1ccccc1)C#N	PC-id_9131970	353.481	OAUOBTKTEKHCOO-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101182
s1c2CCCc2nc1CN1CCN(CC1)C(=O)/C=C/c1ccccc1	PC-id_44060392	353.481	JYMCKGGHVACSMO-MDZDMXLPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101183
s1c2CCCc2nc1CN1CCN(CC1)C(=O)C=Cc1ccccc1	PC-id_74912089	353.481	JYMCKGGHVACSMO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101184
Cc1csc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1	CoCoCo_3128951,EMOLS-id_3236280,PC-id_3944695,ZINC22_5101412,MCULE-2404388624	353.483	FVEMIHJBVLLTBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101185
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCCN(C)C	PC-id_7685491	353.483	VACJASFHGOSALR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101186
CCOC(=O)c1c(NC(=O)C2C(C2(C)C)(C)C)sc2c1CCS2	PC-id_68908095,SCHEMBL4090049	353.499	AKNAJMGYUFHYPV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-101187
CCOC(=O)c1c(NC(=O)CC2CCSCC2)sc2CCCc12	MCULE-8221147865,EMOLS-id_328176283	353.499	NWYZIMHKTASECP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101188
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCC)CCC)C(=O)OCC	PC-id_7124916	353.499	YLEDQNKIQBPUAU-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-101189
S(C1CCCC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_4821874	353.499	XZKMNQDKMPYHDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101190
CCN(CC)CCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328216436,MCULE-4736030243	353.501	RFSUPAOORISZGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101191
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCCCCN	EMOLS-id_328212860,MCULE-6866155899	353.501	VSGSEPNUTFTFJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101192
O=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2c1CCC2)CCCC	PC-id_14536054	353.501	HKRRHFGILCALQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101193
O=C(NCc1ccc(C(C)(C)C)cc1)c1n(nc2c1CCC2)C(C)(C)C	PC-id_14536064	353.501	SBNYOZYUFLCIJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101194
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCN(CC)CC	EMOLS-id_186654083,MCULE-1137364780	353.503	ZNHXVSOJEMFCLY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101195
CCCC(=O)N1CSCC1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180255	353.503	LIJIHVSFTHKEDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101196
CC(C)OC(=O)c1c(NC(=S)N2CCNCC2)sc2c1CCC2	CHEMBL4584195	353.503	JOTUPCJOMOHWRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101197
CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCC2	CHEMBL4461944	353.503	RLUFOQDZIYYPIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101198
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)CC)C(=O)OC	PC-id_19654868	353.503	SVGAAWYNTNQRHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101199
s1c2c(CCC2)c(c1NC(=S)NC1CCN(CC1)C)C(=O)OC	PC-id_17264591	353.503	UYDLXDFOCGZREE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101200
CN1CCC(CC1)N(c1ccccc1CNC1CC(n2c1ncc2)C)C	EMOLS-id_318324286	353.504	MVYQPORIIBWSIG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101201
s1c2CCCc2c(c1NC(=O)CSC(=S)N(CC)CC)C#N	PC-id_7694547	353.526	AZHPYIWWSJHWQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101202
CCCC1CC(c2n1nc(n2)C(=O)OCC)O[Si](C(C)(C)C)(C)C	PC-id_141651255	353.532	BNBAODIIONPTMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101203
CCOC(=O)c1nn2c(n1)C(CC2C(C)C)O[Si](C(C)(C)C)(C)C	PC-id_141651203	353.532	CTRGYGOBYOEOMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101204
CCOC(=O)c1nn2c(n1)C(CC2C(C)C)O[Si-](C(C)(C)C)(C)C	PC-id_142514979	353.532	HKQNQEVCRMCRBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101205
O=C(N1Cc2c(C1)c(n(n2)COCC[Si](C)(C)C)C)OC(C)(C)C	PC-id_140863474	353.532	BZCCXRNMWFYOET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101206
s1c2CCCc2cc1C(=O)NNC(=S)NCC(CCCC)CC	PC-id_78700197	353.546	FBJRAPKYGKCGIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101207
s1c2CCCc2cc1C(=O)NNC(=S)NCC(CCCCC)C	PC-id_84981731	353.546	JFBGNKPXVSNJBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101208
s1c2CCCc2cc1C(=O)NNC(=S)NC[C@@H](CCCC)CC	PC-id_8447364	353.546	FBJRAPKYGKCGIJ-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101209
s1c2CCCc2cc1C(=O)NNC(=S)NC[C@H](CCCC)CC	PC-id_8447370	353.546	FBJRAPKYGKCGIJ-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101210
s1c2CCCc2cc1C(=O)NNC(=S)NC[C@@H](CCCCC)C	PC-id_9327993	353.546	JFBGNKPXVSNJBU-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101211
s1c2CCCc2cc1C(=O)NNC(=S)NC[C@H](CCCCC)C	PC-id_9327997	353.546	JFBGNKPXVSNJBU-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101212
Brc1cc(c(NC2CCc3sc(Cl)cc23)cc1)C#N	PC-id_82708656	353.665	ANSQGHHJMKUOIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101213
Brc1c(NC2CCc3sc(Cl)cc23)ccc(c1)C#N	PC-id_81252583	353.665	AOILYMHSISNISG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101214
N#Cc1ccc(cc1NC1CCc2c1cc(s2)Cl)Br	PC-id_107797392	353.665	ORNHMUSHDDDCTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101215
CC1CCc2c1c(CBr)nn2Cc1c(C)cccc1Cl	EMOLS-id_331034115,MCULE-1448120129	353.685	GSXLUOZLFGJTJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101216
CC1CCc2c1c(CBr)nn2Cc1cccc(C)c1Cl	EMOLS-id_331034371,MCULE-3402131749	353.685	CLIXKCANLAFHNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101217
CC1CCc2c1c(CBr)nn2Cc1cc(C)ccc1Cl	MCULE-2616651178,EMOLS-id_331030532	353.685	RSTJKLUKRMNAEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101218
CC1CCc2c1c(CBr)nn2Cc1ccc(C)cc1Cl	MCULE-4346515928,EMOLS-id_331033859	353.685	AIODSDKKVLHCOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101219
CC1CCc2c1c(CBr)nn2Cc1ccc(C)c(Cl)c1	EMOLS-id_331032324,MCULE-6990982494	353.685	LOAFUJRZYMJKDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101220
CC1CCc2c1c(CBr)nn2Cc1cc(C)cc(Cl)c1	MCULE-9430294597,EMOLS-id_331032836	353.685	XWNHHSWRVJMWCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101221
CC1CCc2c1c(CBr)nn2Cc1cccc(Cl)c1C	EMOLS-id_331032580,MCULE-3072737664	353.685	UNCLXVQFZKLSRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101222
CC1CCc2c1c(CBr)nn2Cc1ccc(Cl)cc1C	EMOLS-id_331031045,MCULE-3477355811	353.685	BOIUDFUEBCQJAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101223
CC1CCc2c1c(CBr)nn2Cc1ccc(Cl)c(C)c1	MCULE-7320513176,EMOLS-id_331031301	353.685	GVCDYQDXJKZWTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101224
CC1CCc2c1c(CBr)nn2Cc1cc(Cl)ccc1C	MCULE-5886538175,EMOLS-id_331033092	353.685	GHCOJUUGBGUFLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101225
CC1CCc2c1c(CCl)nn2Cc1ccc(Br)cc1C	EMOLS-id_331023116,MCULE-4051582480	353.685	ATMJMJBMOYRBAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101226
CC1CCc2c1c(CCl)nn2Cc1ccc(Br)c(C)c1	MCULE-2419082511,EMOLS-id_331023372	353.685	HMYOMOSOWMXPHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101227
CC1CCc2c1c(CCl)nn2Cc1cc(C)cc(Br)c1	EMOLS-id_331024652,MCULE-7366812148	353.685	FQDIXZBYEIUVTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101228
CC1CCc2c1c(CCl)nn2Cc1ccc(C)c(Br)c1	MCULE-4717736857,EMOLS-id_331024396	353.685	NPJRLNLVIOAZKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101229
CC1CCc2c1c(CCl)nn2Cc1cc(C)ccc1Br	EMOLS-id_331022349,MCULE-8157307791	353.685	NZYWLQFSKYZZOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101230
CC1CCc2c1c(CCl)nn2Cc1ccc(C)cc1Br	MCULE-3722708547,EMOLS-id_331026188	353.685	YGUOCZJDSKJXMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101231
CC1CCc2c1c(CCl)nn2Cc1cccc(C)c1Br	MCULE-5974687957,EMOLS-id_331022605	353.685	QYCXSOHEUQYAFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101232
CC1CCc2nn(Cc3ccc(Br)cc3C)c(CCl)c12	EMOLS-id_331007158,MCULE-8109869273	353.685	IXRGUNNHSXKIOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101233
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(CCl)c12	EMOLS-id_331007414,MCULE-4959273308	353.685	UQJBHRRJKQNQNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101234
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(CCl)c12	EMOLS-id_331008438,MCULE-7459135735	353.685	UKYCRKVDZOBTJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101235
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(CCl)c12	MCULE-3894932740,EMOLS-id_331008694	353.685	GBAJEMXPUZTALI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101236
CC1CCc2nn(Cc3cccc(C)c3Br)c(CCl)c12	MCULE-4481330841,EMOLS-id_331006647	353.685	VJOMSOKPPIPILU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101237
CC1CCc2nn(Cc3cc(C)ccc3Br)c(CCl)c12	MCULE-7487944937,EMOLS-id_331006391	353.685	HSBPOUVEIMQNNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101238
CC1CCc2nn(Cc3ccc(C)cc3Br)c(CCl)c12	MCULE-8794245224,EMOLS-id_331006135	353.685	ALYINVYDPCNXPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101239
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(CBr)c12	EMOLS-id_331012797,MCULE-2862340531	353.685	RJKCEGYEWCVACB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101240
CC1CCc2nn(Cc3c(C)cccc3Cl)c(CBr)c12	EMOLS-id_331013053,MCULE-6875393068	353.685	MSKYGUPBPUDBKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101241
CC1CCc2nn(Cc3cccc(C)c3Cl)c(CBr)c12	EMOLS-id_331013309,MCULE-3846375573	353.685	HBVWNYPGIVAYDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101242
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(CBr)c12	MCULE-1829111313,EMOLS-id_331013565	353.685	RGZFJOSSKGASMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101243
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(CBr)c12	EMOLS-id_331011262,MCULE-4066884526	353.685	RXLVKLFSWSIJCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101244
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(CBr)c12	EMOLS-id_331011774,MCULE-6605425719	353.685	OPDLKYSRLVPQTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101245
CC1CCc2nn(Cc3cccc(Cl)c3C)c(CBr)c12	EMOLS-id_331011518,MCULE-1818298815	353.685	FQFLISGSHWNABD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101246
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(CBr)c12	MCULE-5910590258,EMOLS-id_331014078	353.685	SABRFIWPQNVIBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101247
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(CBr)c12	EMOLS-id_331010239,MCULE-9583000244	353.685	GILXHRCHJIBMOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101248
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(CBr)c12	EMOLS-id_331012030,MCULE-4608377997	353.685	NLUAMBIDSQLSCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101249
CCc1cc(Cn2nc3CCC(C)c3c2Br)ccc1Cl	EMOLS-id_331015085,MCULE-8965400041	353.685	VSRBXLZRFGKALC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101250
CCc1cc(Cn2nc(Br)c3C(C)CCc23)ccc1Cl	EMOLS-id_330971632,MCULE-9711771454	353.685	NSDAQYMSFTTXBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101251
Clc1cc(F)c(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_3991522	353.796	FSOBRLCDIRMVMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101252
Clc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1F	PC-id_3889403	353.796	QEEFFSFSQXTUFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101253
Clc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)c(F)cc1	PC-id_7238698	353.796	MIGXCGQJCCILDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101254
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)ccc(F)c1	PC-id_4372888	353.796	CABSOGLVEJGAGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101255
O=C(c1sc2c(c1)CCC2)NC(c1ccc(c(c1)F)Cl)C(=O)O	MCULE-6299184092,EMOLS-id_57290306,PC-id_120222582	353.796	OMSJDODLZLWSTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101256
C(=Cc1cccc(Cl)c1)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4472706613	353.825	UMXRQAOTNQYTTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101257
C(=Cc1ccc(Cl)cc1)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8003901765	353.825	WFCLWYIIRIZKCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101258
Clc1ccccc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_45975760,ZINC22_27529822	353.825	DNRQOZDXEILMSF-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101259
Clc1ccc(C=c2c(=O)n3c(nc(n3)Cc3ccccc3)s2)cc1	MCULE-3829687700,EMOLS-id_9042596	353.825	AQFRKIDBHPMGMB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101260
Clc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_48841626,ZINC22_12580270	353.825	AQFRKIDBHPMGMB-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101261
Clc1cccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_328075385	353.825	UMXRQAOTNQYTTO-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101262
Clc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_328137823	353.825	WFCLWYIIRIZKCR-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101263
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)Cc1ccccc1	MCULE-2297968233	353.825	DNRQOZDXEILMSF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101264
O=c1/c(=Cc2ccc(Cl)cc2)/sc2nc(Cc3ccccc3)nn12	PC-id_97604480,ZINC22_96481548	353.825	AQFRKIDBHPMGMB-XNTDXEJSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101265
O=c1/c(=C/c2ccc(Cl)cc2)/sc2nnc(Cc3ccccc3)n12	ZINC22_6228794	353.825	UCTSCSWMNZHLBE-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101266
c1(NC(=O)c2c(cccc2Cl)F)c2CSCc2nn1C(C)(C)C	CoCoCo_4975376,PC-id_4093548,ZINC22_3892349,MCULE-1352260872,EMOLS-id_5430049	353.842	ULABYJABDOZHTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101267
Clc1c(OC(=C)C)cc(/N=c/2snc3n2CC(C3)(C)C)c(F)c1	PC-id_22974808	353.842	IQBJZGOXUGPSRK-CYVLTUHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101268
Fc1ccc(c(c1)Cl)C(=O)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030665	353.842	DJGPOXJFRFKIFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101269
Clc1ccc(s1)C1=NOC(C1)C(=O)Nc1sc2c(n1)CCC2	PC-id_75416088,EMOLS-id_48218410,MCULE-4353808926	353.847	FTKXGHWTQGLMTA-UHFFFAOYSA-N	00000011100100000001100010000000000000000000000000000000	25-01-101270
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=NO1)c1ccc(Cl)s1	PC-id_94592330,ZINC22_55049997	353.847	FTKXGHWTQGLMTA-VIFPVBQESA-N	00000011100100000001100010000000000000000000000000000000	25-01-101271
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=NO1)c1ccc(Cl)s1	PC-id_94592331,ZINC22_55049998	353.847	FTKXGHWTQGLMTA-SECBINFHSA-N	00000011100100000001100010000000000000000000000000000000	25-01-101272
C1C=CC2=C1C=C(S2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl	PC-id_163756247	353.99	LUHRFDIFRQXCLD-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-101273
COC1=CC=C(C=C1)COCC2=NN3CSCC3=C2Br	PC-id_155122682	354.004	MIFUSSYKLYIWMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101274
Brc1sc(Br)c2c1C(OC(=O)C)CC2=O	PC-id_59787520,SCHEMBL75769	354.015	WNHAXHSKWFRPKN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101275
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3Cl)S(=O)[O-]	PC-id_164872113	354.032	OZTCDOYEUBGBKL-NSHDSACASA-M	00000010100000110001000010000000000000000000000000000000	25-01-101276
CC1(CCOCC1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)O)Cl	PC-id_164801017	354.098	ZPALCONEDJZJKL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101277
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2CO	PC-id_151035908	354.125	MBBGGTKGLDTUPJ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-101278
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC(=C2)CO	PC-id_152028241	354.125	UMDUDXJIHSKMFB-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-101279
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)CO	PC-id_149617797	354.125	ACMBNYFEYXVHKC-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-101280
CCC(=O)NC1=C(SC2=C1CN(C2)C(=O)OC(C)(C)C)C(=O)OC	MCULE-7046741892,EMOLS-id_257949093,PC-id_154766978	354.125	CAKIFDQORRXNPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101281
CC1=NC=C(S1)C2=NC(=C(C=C2)N)CC(=O)N3CC4=CN(N=C4C3)C	PC-id_146762222	354.126	RPQQQMIZZJMCOI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101282
Ic1ccnc(c1)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL16517514,PC-id_117912239	354.146	JPNVFLHPVBVOHB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101283
Brc1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_68545606,SCHEMBL3195951	354.156	APTPBVOJSHSYHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101284
Brc1cccc(c1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_68548762,SCHEMBL3204106	354.156	UUVUYWWLMGYQBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101285
C1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CNC4)C(=O)[O-]	PC-id_160769269	354.157	RZCCOFYUOYJHFD-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-101286
O=C(NCc1nnc2n1CCC2)Nc1ccc(F)cc1Br	MCULE-9159311323,ZINC22_48452941,EMOLS-id_44121665,PC-id_52306733	354.178	DHFBUWYOUODHHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101287
Clc1cc(Cn2c3c(C(CC3)C(=O)O)cc2C(=O)O)ccc1Cl	PC-id_9950456	354.185	QXGCVXMIKHONMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101288
Clc1cc(Cn2c3CC(Oc3cc2)(C(=O)OC)C=O)ccc1Cl	SCHEMBL7682389,PC-id_18405251	354.185	OKZAKHHAKUTXIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101289
c12C(C)CCc1n(nc2O)Cc1ccc(cc1)I	EMOLS-id_330958068,MCULE-9355693499	354.186	YVDWPYKCWMQOQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101290
CC1CCc2c1c(O)nn2Cc1ccccc1I	MCULE-4490839555,EMOLS-id_330958580	354.186	QFOCQQOCMQNWCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101291
CC1CCc2c1c(O)nn2Cc1cccc(I)c1	MCULE-6900710903,EMOLS-id_330958324	354.186	AJHGPYBVASVUAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101292
CC1CCc2nn(Cc3ccccc3I)c(O)c12	MCULE-7422700937,EMOLS-id_331008929	354.186	VCDMRYACMVQFKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101293
CC1CCc2nn(Cc3cccc(I)c3)c(O)c12	EMOLS-id_331008673,MCULE-7588211955	354.186	AHJHHFKGWXXLSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101294
CC1CCc2nn(Cc3ccc(I)cc3)c(O)c12	EMOLS-id_331008417,MCULE-9771039123	354.186	IVBITNXDUUGGAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101295
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1Cl)Cl)CC	STOCK6S-83732,PC-id_135649944,MCULE-5595888615,EMOLS-id_27456482	354.191	JPSQBVDCDSURAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101296
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(Cl)c1)Cl)CC	EMOLS-id_24575145,STOCK6S-66790,MCULE-9184545335,PC-id_135629433	354.191	MNGMYYCJTQRWIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101297
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cccc(Cl)c1Cl)CC	MCULE-4311086391,STOCK6S-72362,PC-id_135629435,EMOLS-id_24582175	354.191	XPEYPKNLRRUZHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101298
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(Cl)cc(Cl)c1)CC	PC-id_135649935,MCULE-1874874166,EMOLS-id_27460380,STOCK6S-86164	354.191	IICPKUYOEASXLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101299
c12nc(nn1C(C(=O)N2)CC(=O)Nc1c(Cl)ccc(Cl)c1)CC	STOCK6S-82561,SPECS-id_AN-153/NB21590,PC-id_135649940,MCULE-4635497725,EMOLS-id_27454646	354.191	ZMYYFFZHBZCSDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101300
CCc1nc2n(n1)[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N2	PC-id_135902744,ZINC22_20736675	354.191	XPEYPKNLRRUZHS-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101301
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N2	PC-id_135902745,ZINC22_20736679	354.191	XPEYPKNLRRUZHS-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-101302
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N2	PC-id_135878666,ZINC22_31816142	354.191	JPSQBVDCDSURAC-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101303
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N2	ZINC22_31816148,PC-id_135878667	354.191	JPSQBVDCDSURAC-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-101304
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N2	ZINC22_20717266,PC-id_135901752	354.191	MNGMYYCJTQRWIT-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101305
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N2	ZINC22_20717270,PC-id_135901753	354.191	MNGMYYCJTQRWIT-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-101306
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N2	ZINC22_31815527,PC-id_135878648	354.191	ZMYYFFZHBZCSDN-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101307
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N2	ZINC22_31815532,PC-id_135878649	354.191	ZMYYFFZHBZCSDN-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-101308
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N2	PC-id_135878700,ZINC22_31817293	354.191	IICPKUYOEASXLJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101309
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N2	ZINC22_31817298,PC-id_135878701	354.191	IICPKUYOEASXLJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-101310
CCc1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324843245	354.197	JHFJZCYJNJQASE-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101311
CCc1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324842217	354.197	XJOWVNMCABWFPQ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-101312
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)CC	MCULE-2424837338	354.197	JHFJZCYJNJQASE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101313
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)CC	MCULE-7735383189	354.197	XJOWVNMCABWFPQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101314
Ic1ccc(cc1)C(=O)c1sc2c(c1)CCC2	PC-id_43462827,EMOLS-id_37654139	354.206	KYNQHHMPLVNUGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101315
Brc1cc(sc1)C(=O)c1n2c(C(CC2)C(=O)O)cc1C	SCHEMBL11657556,PC-id_20356091	354.219	WQMVEXDULWJMTQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-101316
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccsc1	SCHEMBL11274901,PC-id_20528163	354.219	IYGMCGWAGVEMRG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-101317
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1sccc1	SCHEMBL11282243,PC-id_20528176	354.219	XUFYWUHAJYXNSE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-101318
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1scc(c1)C	SCHEMBL11061900,PC-id_20456517	354.219	XYQSLJINHXSOMJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-101319
Brc1c(scc1)C(=O)c1n2c(C(CC2)C(=O)O)cc1C	SCHEMBL11657575,PC-id_20356071	354.219	ZKJXOMAHEVBMSL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-101320
Brc1sc(C(=O)c2n3c(C(CC3)C(=O)O)cc2C)cc1	PC-id_20356089,SCHEMBL11660285	354.219	XEGBCEDNLHRQTK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-101321
Brc1cc([nH]c1)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_60667281	354.222	XEYCSZFEVYJJDU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-101322
Brc1cc([nH]c1)C(=O)NNC(=O)c1sc2CCCc2c1	MCULE-2526594292,CoCoCo_4081181,EMOLS-id_16692647,PC-id_17505223	354.222	XAFFUBKKQGOSMN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-101323
Brc1c(NCc2sc3CCCc3c2)ncc([N+](=O)[O-])c1	PC-id_79530988	354.222	GITWIITVNUNDAF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-101325
Brc1cncc(c1NCc1sc2c(c1)CCC2)[N+](=O)[O-]	PC-id_103877968	354.222	RJULKRUUIWTECE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-101326
CCOC(=O)C1=NN2C(CC(C2=N1)O[SiH-](C)(C)C(C)(C)C)C(C)C	PC-id_147557017	354.222	FRWHYYNOEVLNCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101327
Brc1cc(C(=O)Nc2sc3CCCc3n2)c(nc1)NN	PC-id_62242713	354.226	DRLNJJMPCXCYJJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101328
c1(C(=O)N(C)Cc2cc(Cl)c(c(Cl)c2)O)c2CCCc2n(C)n1	PC-id_84467418,MCULE-1503124844,EMOLS-id_320481804	354.231	COZAZZRJWWACJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101329
Brc1cc(CNC(=O)c2sc3CCCc3c2)c(F)cc1	PC-id_47163165	354.237	MCJNUUCNPKXDLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101330
Brc1cc(C(=O)NCc2sc3CCCc3c2)c(F)cc1	PC-id_61209147	354.237	MHJAADAHECLZPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101331
Brc1cc(F)c(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61208791	354.237	LEVGMVDJEHLQMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101332
Brc1c(C(=O)NCc2sc3CCCc3c2)cccc1F	PC-id_81508740	354.237	OHWDOOYEFHASBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101333
Brc1c(C(=O)NCc2sc3CCCc3c2)ccc(F)c1	PC-id_61209145	354.237	SUMAZVAKFCFUQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101334
Brc1c(C(=O)NCc2sc3CCCc3c2)cc(F)cc1	PC-id_61209146	354.237	WQQVGCVSOKPKGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101335
Brc1c(F)cc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61704790	354.237	KODZSWUYZALOAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101336
O=C(c1ccc(c(c1)Br)F)NCc1sc2c(c1)CCC2	PC-id_103707141	354.237	ANQMUHSEHRZGLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101337
O=C(c1cccc(c1F)Br)NCc1sc2c(c1)CCC2	PC-id_106544393	354.237	MQDGBKYYJCJTSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101338
O=C(c1c(F)cccc1Br)NCc1sc2c(c1)CCC2	PC-id_115678832	354.237	YFIKYMBRPCKWMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101339
O=C(c1sc2c(c1)CCC2)Nc1cc(Br)c(cc1C)F	PC-id_107592573	354.237	PBLUBAKOVPVBMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101340
O=C(c1sc2c(c1)CCC2)Nc1cc(F)c(cc1C)Br	PC-id_116461840	354.237	LRRFHMBYKCAVEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101341
Brc1sc2CN(S(=O)(=O)c2c1)C(CC)C(=O)OC	SCHEMBL4360422,PC-id_69015990	354.241	ZQWXPVRQOGUYJT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101342
Brc1sc2S(=O)(=O)N(C(CC)C(=O)OC)Cc2c1	SCHEMBL4356977,PC-id_69014757	354.241	FQYWRTPVMQUJPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101343
BrCS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_83085186,EMOLS-id_315811394	354.241	UOTYYAPEJOAAEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101344
c1(c2CCCc2sc1NC(=O)CCl)C(=O)c1ccccc1Cl	PC-id_3185313,MCULE-7654752738,EMOLS-id_6526381,ASN-04364368	354.251	KSVSLKYLUZHXRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101345
c1(C(=O)c2ccc(Cl)cc2)c2CCCc2sc1NC(=O)CCl	ASN-04364369,PC-id_1168622,EMOLS-id_6526383,MCULE-8706434752	354.251	ZGUAIAWEFXEGKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101346
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)n(C)nc2CSCc12	MCULE-2957238048	354.254	NYJAOVZOIFNCRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101347
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)n(C)nc2CSCc12	MCULE-5382569023	354.254	GEMYLOBJLDIPPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101348
CC(C)(C)c1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324850406	354.254	GPBVEVBXLXEMSH-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101349
CC(C)Cc1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324860642	354.254	DOUJQJNUWHUUIJ-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101350
CC(C)(C)c1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324852964	354.254	ZZJQEMPCYQTRMI-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101351
CC(C)Cc1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324859105	354.254	BECVZNAMGZIJHM-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-101352
CC(C)(C)c1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324851429	354.254	JTSHCRUZYBFYDW-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101353
CC(C)Cc1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324861665	354.254	VBMPGPZSIKAYLA-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101354
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccc(Cl)cc1Cl	EMOLS-id_334563256	354.254	NYJAOVZOIFNCRW-HWKANZROSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101355
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1	EMOLS-id_334561722	354.254	GEMYLOBJLDIPPM-HWKANZROSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101356
n12c(=O)c(=Cc3ccc(cc3Cl)Cl)sc1nc(C(C)(C)C)n2	MCULE-2821349292	354.254	ZZJQEMPCYQTRMI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101357
n12c(=O)c(=Cc3ccc(c(Cl)c3)Cl)sc1nc(C(C)(C)C)n2	MCULE-3611711002	354.254	JTSHCRUZYBFYDW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101358
n12c(=O)c(=Cc3cccc(Cl)c3Cl)sc1nc(C(C)(C)C)n2	MCULE-5479687067	354.254	GPBVEVBXLXEMSH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101359
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)CC(C)C	MCULE-7965536788	354.254	BECVZNAMGZIJHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101360
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)CC(C)C	MCULE-4579438281	354.254	VBMPGPZSIKAYLA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101361
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CC(C)C	MCULE-8573222863	354.254	DOUJQJNUWHUUIJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101362
Brc1cn(CCC)c(C(=O)Nc2sc3CCCc3n2)c1	PC-id_61511972	354.265	FLJTXMJCGZJVSK-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-101363
Brc1cn(C(C)C)c(C(=O)Nc2sc3CCCc3n2)c1	PC-id_61512009	354.265	ZSMPEGHCBHTMBE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-101364
CCn1ncc(c(c1=O)Br)NCc1sc2c(c1)CCC2	PC-id_114434875	354.265	CIHYZSVPHQXDTH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-101365
Brc1cc(C(NCc2sc3c(CCC3)c2)C)ccc1F	PC-id_61207226	354.28	QIRTVJOOXOTPJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101366
Brc1cc(C(NCc2sc3c(CCC3)c2)C)c(F)cc1	PC-id_82964765	354.28	NVLLWQVSLQWICJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101367
Brc1cc(C(NCC)c2sc3c(CCC3)c2)ccc1F	PC-id_79746936	354.28	IJTLUUBRODLCGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101368
Brc1cc(F)c(C(NCc2sc3c(CCC3)c2)C)cc1	PC-id_82964633	354.28	NMMDIBTWEAZWKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101369
CCNC(c1cc(Br)ccc1F)c1sc2c(c1)CCC2	PC-id_105011966	354.28	NRSDZTKTUQCMKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101370
CCNC(c1cccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_106647719	354.28	YQZLTYNQSVINJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101371
CNC(c1sc2c(c1)CCC2)Cc1cc(Br)ccc1F	PC-id_115839033	354.28	JVQJUAIEEHXWMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101372
CNC(c1sc2c(c1)CCC2)Cc1cccc(c1Br)F	PC-id_105020317	354.28	MNLCUNHSFDHUAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101373
CNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Br)F	PC-id_115818318	354.28	MMNYHONMLLZFJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101374
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Br)F	PC-id_115842972	354.28	LVMMQPQGHNHBHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101375
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1F)Br	PC-id_115844402	354.28	WHEHIOWVSJVGHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101376
CNC(c1sc2c(c1)CCC2)Cc1cc(F)cc(c1)Br	PC-id_105015402	354.28	LOLHICUVOBVTCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101377
CNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1Br	PC-id_115843496	354.28	UKTXZOYYJLRZCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101378
Fc1ccc(c(c1)Br)C(NCc1sc2c(c1)CCC2)C	PC-id_108326565	354.28	ZSFBVVUEULMTGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101379
BrSc1ccc(cc1)C(=O)c1c(N)sc2c1CCC2	SCHEMBL5823169	354.285	AZESFMHWIQUCSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101380
Brc1ccc(c(c1)C(=S)N)Nc1sc2c(n1)CCC2	PC-id_114891526	354.288	ICSCTDJVFNTSHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101381
Brc1ccc(c(c1)Nc1sc2c(n1)CCC2)C(=S)N	PC-id_114902964	354.288	MXNFHAHNKLVVRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101382
Brc1c(Nc2sc3CCCc3n2)ccc(c1)C(=S)N	PC-id_82805192	354.288	MEDSYGWLLHVOMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101383
NC(=S)c1ccc(cc1Br)Nc1sc2c(n1)CCC2	PC-id_107277547	354.288	SCIGXJPCAXTADO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101384
NC(=S)c1c(cccc1Br)Nc1sc2c(n1)CCC2	PC-id_114882155	354.288	NMVFYAAGDHMYOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101385
Brc1c(n(nc1C)CC)CNCc1sc2c(CCC2)c1	PC-id_65870430	354.308	GDOMMEDZTJEDJQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101386
Brc1c(n(nc1CC)C)CNCc1sc2c(CCC2)c1	PC-id_65879115	354.308	MNHYQCZQPMJUCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101387
CCc1nn(c(c1Br)CC(c1sc2c(c1)CCC2)N)C	PC-id_104994448	354.308	SWCBQJCBKIOYIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101388
CCCn1ncc(c1C(c1sc2c(c1)CCC2)NC)Br	PC-id_105041150	354.308	JQWRKZYBWUUYNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101389
CCCNC(c1c(Br)cnn1C)c1sc2c(c1)CCC2	PC-id_105054040	354.308	BVXJGZIVNHLCQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101390
CCn1nc(c(c1CC(c1sc2c(c1)CCC2)N)Br)C	PC-id_104998072	354.308	TWVFDXVWZZBDNR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101391
CCNC(c1c(Br)cnn1CC)c1sc2c(c1)CCC2	PC-id_105040385	354.308	PGKWIVNOGZXFPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101392
CNC(c1c(Br)cnn1C(C)C)c1sc2c(c1)CCC2	PC-id_105041993	354.308	TZIFCJOLDFTPHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101393
CNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Br)C	PC-id_105000171	354.308	BGAXRWIGRZZASM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101394
Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1(F)F)O)CN1CCn2c1ccn2	PC-id_117980010,SCHEMBL16601571	354.312	HFXAMTZCVKWNPK-GGZOMVNGSA-N	00000010100000100001100010000000000000000000000000000000	25-01-101395
c12CN(Cc1nn(CC(F)(F)F)c2CN)C(=O)OCc1ccccc1	MCULE-1299809959,EMOLS-id_324353888	354.327	PCMZYZPVTRLVQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101396
c1(CN(C)C(=O)Nc2cccc(c2)OC(F)(F)F)c2CCCc2[nH]n1	EMOLS-id_49677312,ZINC22_97775492,PC-id_74248932,MCULE-9832463376	354.327	CUKXYTOSQWBPSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101397
NC(=NCc1ccc(cc1)OC(F)(F)F)NCc1nnc2n1CCC2	PC-id_111598000	354.33	UVVDWYZEIPOMHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101398
Fc1c(NC(=O)C2NCc3n(ncc23)C)ccc(n2c(=O)cncc2)c1	PC-id_78039748	354.338	FXQRBHOKBYJPNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101399
Fc1c(NC(=O)[C@H]2NCc3n(ncc23)C)ccc(n2c(=O)cncc2)c1	SCHEMBL14624306,PC-id_71220095	354.338	FXQRBHOKBYJPNI-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101400
Cc1ccc(c2ccc(/C=c/sc4ncnn4c3=O)o2)cc1[N+](=O)[O-]	EMOLS-id_49856844,ZINC22_59267038,SPECS-id_AM-879/J185741	354.34	IGORRTRPFNERMQ-VGOFMYFVSA-N	00000000101000110001100010000000000000000000000000000000	25-01-101401
n12ncnc1sc(=Cc1ccc(c3ccc(c(c3)N(=O)=O)C)o1)c2=O	MCULE-8836356746	354.34	IGORRTRPFNERMQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-101402
c1(NC(=O)c2ccccc2C(F)(F)F)sc2c(CCC2)c1C(=O)N	PC-id_4409638,MCULE-1387957983,EMOLS-id_3187607,CoCoCo_3218595	354.347	SBEPPQUDDYFSDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101403
c1(NC(=O)c2ccc(c(F)c2F)F)sc2c(CCC2)c1C(=O)NC	MCULE-8418455007,EMOLS-id_334331611	354.347	FSBKUNCSGOLKMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101404
NC(=O)c1c2c(CCC2)sc1NC(=O)c1ccc(C(F)(F)F)cc1	PC-id_2089015,CoCoCo_3218596,ZINC22_2626701,EMOLS-id_3272026,MCULE-4749321383	354.347	VIVJAIJTXILRKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101405
O=C(C(F)(F)F)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2	PC-id_4686121,CoCoCo_5965634	354.347	ALPPZJSKUGZIEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101406
O=C(CNC(=O)c1cc2c(s1)CCC2)Nc1ccc(F)c(F)c1F	ZINC22_49958859,MCULE-1980843787,EMOLS-id_33330171,PC-id_52331074	354.347	ZGUQHQXUAQRHFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101407
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(ccc1)C(F)(F)F	PC-id_26872718	354.347	WCQUYYQXETUNLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101408
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F	PC-id_27684413	354.347	OOAOSFKIWDJIFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101409
s1c2CCCc2cc1C(=O)NNC(=O)c1c(cccc1)C(F)(F)F	PC-id_8123249	354.347	RLFXFQQGGPZHML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101410
Cn1c2c(CN(C2)C[C@@H]2CC([C@@H](O2)N2C=CC(NC2=O)N)(F)F)cn1	PC-id_134313795,SCHEMBL19934386	354.355	PDRCRAHZAKMJFU-RDWQBYKPSA-N	00000010100011000001100010000000000000000000000000000000	25-01-101411
O(C(=O)c1n2c(c(c1C(=O)OC)C(=O)NCc1ccccc1)CC=C2)C	PC-id_11462352	354.357	VSHMSBRYWFMRBW-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-101412
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(cn1)C#N	SCHEMBL597316,PC-id_59508258	354.363	HTMAIMIPEHDKGL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101413
N#Cc1ccc(cc1)N1CCN(CC1)CC1Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5537565,PC-id_69479853	354.363	FRKJOQAGTBFKSN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101414
N#Cc1ccc(cc1)N1CCN(CC1)C[C@H]1Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5537553,PC-id_69479848	354.363	FRKJOQAGTBFKSN-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101415
Cc1nnc2CC(CNC(=O)COc3ccc(cc3)n3cnnn3)Cn12	EMOLS-id_317871553,MCULE-8441905154	354.367	PAAYSZKQOSIVCE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101416
Cc1nnc2n1C[C@@H](CNC(=O)COc1ccc(n3cnnn3)cc1)C2	ZINC22_1772816376	354.367	PAAYSZKQOSIVCE-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101417
Cc1nnc2n1C[C@H](CNC(=O)COc1ccc(n3cnnn3)cc1)C2	ZINC22_1772816379	354.367	PAAYSZKQOSIVCE-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101418
COc1cc(ccc1NC(=O)NCc1n[nH]c2CCCc12)n1cnnn1	EMOLS-id_49160396,MCULE-2430783648,ZINC22_96149954,PC-id_72889166	354.367	RCSUNPZPTAQADL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101419
CCOc1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1OC(F)F	ZINC22_13022755,CoCoCo_4164278,PC-id_25676205,EMOLS-id_24080280,MCULE-4419673288	354.372	LYDPVGATGDECOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101420
C/C=CC(=C(CC(F)(F)F)/C=C)C1Cc2c(C1)c(n[nH]2)/C(=N/N)/NN	PC-id_143311090	354.373	RRNMCJGSCJHZHJ-IVCPHRBRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101421
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960127	354.377	FTBGWVNFWIRRBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101422
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1onc(C(C)C)c1	ZINC22_67641810,MCULE-6797142075,PC-id_56741689,EMOLS-id_36572129	354.378	CYROGFLSRXLHOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101423
C1c2c([nH]c(c2C(S1)CCCCC(=O)On1c(ccc1O)O)O)O	PC-id_91056525	354.378	HZHBNVWMIUUQFU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-101424
c1(oc(nc1C)CC)C(=O)N1Cc2c(n(nc2)Cc2ccc(cc2)F)C1	ZINC22_67674452,MCULE-4762847985,PC-id_56742877,EMOLS-id_36575192	354.378	FRBPCLUMQWXTSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101425
Cc1cc(nn1CC(=O)N1Cc2c(C1)oc(n2)C)c1cc(c(cc1)F)C	PC-id_89608067,SCHEMBL15002157	354.378	GGDUPEWLPIKJEG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101426
Fc1ccc(cc1)Cn1ncc2c1CN(C2)C(=O)c1noc(c1)C(C)C	PC-id_56755176,EMOLS-id_36604966,MCULE-8893378504	354.378	HZIPLXNNIFSDGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101427
O=C(CCc1ccc(c2ccccc2F)o1)NCc1nnc2n1CCC2	PC-id_30094693,MCULE-6216842140,EMOLS-id_44040175,ZINC22_22192115	354.378	ARPHWDMKWICOSB-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-101428
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)c(C)[nH]c(c2ccc(cc2)F)n1	MCULE-5533806778,EMOLS-id_324131145,PC-id_146045805	354.381	UILPJEQKKBSPDS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101429
Cc1c(C(=O)NCCc2nnc3n2CCC3)cnn1c1ccc(F)cc1	EMOLS-id_36273865,PC-id_53527893,MCULE-1835960581,ZINC22_69519355	354.381	NDDJHQPIRGIKBA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101430
Cc1[nH]c(c2ccc(F)cc2)nc1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1857673546	354.381	UILPJEQKKBSPDS-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101431
Cc1[nH]c(c2ccc(F)cc2)nc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1857673547	354.381	UILPJEQKKBSPDS-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101432
CCc1c(C(=O)NCc2nnc3n2CCC3)cnn1c1ccc(F)cc1	ZINC22_24861208,CoCoCo_4782708,EMOLS-id_30012022,PC-id_32178809,MCULE-9434254440	354.381	DMSKXNQWRWYWSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101433
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)CCc2nc([nH]n2)C)cc1	PC-id_56747657	354.381	NLMZYHTZIWVYBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101434
COc1ccccc1OCc1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324871683	354.383	QLMLUMWXPIKMTN-ZROIWOOFSA-N	00000000110000110001000010000000000000000000000000000000	25-01-101435
COc1cccc(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)c1	EMOLS-id_324877829	354.383	MKHQHZUAOQABDL-ZSOIEALJSA-N	00000000110000110001000010000000000000000000000000000000	25-01-101436
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1ccccc1OC	MCULE-8242553358	354.383	QLMLUMWXPIKMTN-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-101437
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1cccc(OC)c1	MCULE-2671314964	354.383	MKHQHZUAOQABDL-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-101438
O=C(c1ccc(=O)n(n1)Cc1ccccc1)Nc1onc2c1CSC2	PC-id_121067078	354.383	MWGWJMIFBPNASF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101439
O=C(c1oc2c(n1)CN(C2)C(=O)c1cccnc1)NCc1cccs1	CHEMBL3552435,PC-id_97525794	354.383	ZXUPOHMITGFMBJ-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-101440
O=C(Cn1cnc(cc1=O)c1ccccc1)Nc1onc2c1CSC2	PC-id_121063697	354.383	TYPDKJVPHMGMCD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101441
O=C(Cn1nc(ccc1=O)c1ccccc1)Nc1onc2c1CSC2	PC-id_121050130	354.383	YGVGCNKZXCWQEJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101442
c1(cn(C)c(=O)n(C)c1=O)S(=O)(=O)NCC1Cc2n(c(nn2)C)C1	MCULE-7927545181,EMOLS-id_317865678	354.385	KSCUVHLRBTXZQR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-101443
Cc1nnc2n1C[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2	ZINC22_1772816371	354.385	KSCUVHLRBTXZQR-SECBINFHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-101444
Cc1nnc2n1C[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2	ZINC22_1772816375	354.385	KSCUVHLRBTXZQR-VIFPVBQESA-N	00000010100000100001000010000000000000000000000000000000	25-01-101445
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(=O)n(c(=O)n(c1)C)C	PC-id_16621891	354.385	GAUBFUUSJWORSZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-101446
Cc1c(N/C=c/2sc3ncnn3c2=O)c(=O)n(c2ccccc2)n1C	ZINC22_256055335,PC-id_117588288	354.386	CFTFHODZKSHCKW-WQLSENKSSA-N	00000000100000110001100010000000000000000000000000000000	25-01-101447
n12ncnc1sc(=CNc1c(C)n(n(c3ccccc3)c1=O)C)c2=O	MCULE-1740408664	354.386	CFTFHODZKSHCKW-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-101448
O=C(c1ccccc1n1cnnn1)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218564,PC-id_4800473,MCULE-5757535146,EMOLS-id_3472784	354.386	RCNBHBFKTYKWNP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101449
OC(=O)c1ccnc(c1)c1ccnc(n1)NCc1cn2c(n1)SCC2	EMOLS-id_43561429,PC-id_70716203,MCULE-2405106420	354.386	YHGWAHHTDNMDCH-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101450
s1c2c(CCC2)c(c1NC(=O)c1ccc(n2nnnc2)cc1)C(=O)N	PC-id_52102706	354.386	AQUKIWIWZAITBQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101451
C[C@@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1	PC-id_52530355,ZINC22_58369564	354.39	FOTBVTTXRDXBFM-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-101452
C[C@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1	PC-id_52530356,ZINC22_58369565	354.39	FOTBVTTXRDXBFM-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101453
O=C(CC(c1ccc(cc1)C(F)(F)F)C)Nc1sc2c(n1)CCC2	MCULE-4692280556,EMOLS-id_33361097,PC-id_51125737	354.39	FOTBVTTXRDXBFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101454
O=C(C(F)(F)F)Nc1cccc(c1)CNCc1sc2c(c1)CCC2	PC-id_113226365	354.39	WVRLADCTUABKNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101455
CCOC(=O)CC1CCn2c1cc(c2C(=O)c1ccc2n1CCC2=O)C	SCHEMBL10998526,PC-id_70488885	354.4	LGSVOUILPLMCPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101456
CCOC(=O)CCNC(=O)C1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_25148347,CHEMBL511503	354.4	IMMYOBFKABDHAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101457
CCOC(=O)C(C)NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_44581788,CHEMBL456910	354.4	WTFXAXCWSNQSAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101458
C=NCCCCOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL19749127	354.4	RHPWMSVQEIXRIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101459
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CC(O)CC1C(=O)O	EMOLS-id_328337309,MCULE-5304842169	354.4	HRNNKCGLSIKCBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101460
OC1CCCN(C1)C(=O)c1ccccc1NC(=O)c1occ2c1CCC2	EMOLS-id_319173547	354.4	FOBVGBFHXNZFTD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-101461
O=C(N[C@@H](C)C(=O)OCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_25148272	354.4	WTFXAXCWSNQSAP-CFMCSPIPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101462
c1(NC(=O)CC2SC(=O)NC2=O)sc2c(CCC2)c1C(=O)OC	PC-id_45125737,TIMTEC272634,EMOLS-id_15754558,MCULE-1368946377	354.401	KTQUHCXGQYLDDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101463
CCCCC(=O)NC1=N[N+](c2c1sc(c2)C(=O)OC)(CC)C(=O)O	PC-id_91178647	354.401	NLTLFPDSXLOPKV-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-101464
COC(=O)c1c(NC(=O)C[C@H]2SC(=O)NC2=O)sc2c1CCC2	CoCoCo_6013717,ZINC22_26770226,PC-id_34055129	354.401	KTQUHCXGQYLDDB-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101465
COC(=O)c1c(NC(=O)C[C@@H]2SC(=O)NC2=O)sc2c1CCC2	PC-id_34055126,ZINC22_26770223,CoCoCo_6013716	354.401	KTQUHCXGQYLDDB-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101466
c1(c2CCCc2[nH]n1)C(=O)N1CCN(C(=O)C1C)c1ccc(cc1)OC	PC-id_70707866,MCULE-7489592402,EMOLS-id_43556229	354.403	NUYRJXOADDBEDL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101467
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)OC)C2)n(C)nc2CCCc12	PC-id_45536845,MCULE-5681305584,EMOLS-id_43484339	354.403	VGHLWPGWENJXGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101468
Cc1cccc(c1)OCC(=O)N1Cc2c(C1)c(nn2C)C(=O)NC1CC1	EMOLS-id_207862914,MCULE-9165564818	354.403	SSCBKXSHRMVMEQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101469
Cc1ccc(NC(=O)c2cc3n(n2)CCC3)cc1C(=O)N1CCOCC1	MCULE-4166784010,ZINC22_560259998,PC-id_136546241,EMOLS-id_316887904	354.403	IGUNDGJUCAELSV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101470
Cc1ccc(NC(=O)c2cnn3c2CCC3)cc1C(=O)N1CCOCC1	ZINC22_582401651,EMOLS-id_316887392,PC-id_136546239,MCULE-1748449906	354.403	VQSCOYSITZUCRC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101471
Cc1onc(c1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109481	354.403	ZTQFOTGVQIBGNE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-101472
C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2Cc3n[nH]cc3[C@H]2CO)CC1=O	ZINC22_1875313543	354.403	UCHFHIOOPILAJY-HACGYAERSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101473
C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2Cc3n[nH]cc3[C@@H]2CO)CC1=O	ZINC22_1875313544	354.403	UCHFHIOOPILAJY-IFIJOSMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101474
C[C@H](c1ccccc1)N1C[C@H](C(=O)N2Cc3n[nH]cc3[C@@H]2CO)CC1=O	ZINC22_1875313546	354.403	UCHFHIOOPILAJY-MRRJBJDNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101475
C[C@H](c1ccccc1)N1C[C@H](C(=O)N2Cc3n[nH]cc3[C@H]2CO)CC1=O	ZINC22_1875313548	354.403	UCHFHIOOPILAJY-SUYBPPKGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101476
CCN1Cc2c(C1=O)c(c([nH]2)C(=O)Nc1cc(ccc1C)C(=O)NC)C	SCHEMBL12531375,PC-id_59761469	354.403	IBVQXIYHWJESOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101477
COc1ccc(cc1)CNC(=O)C=CC(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_278546971	354.403	JMMPTDIRJOZHNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101478
COc1ccccc1N1CC(CC1=O)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_55638060,PC-id_91772461,MCULE-5231495343	354.403	RLXBSMBPJPYDNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101479
COc1ccccc1N1C[C@H](C(=O)NCc2n[nH]c3c2CCC3)CC1=O	PC-id_100045279,ZINC22_219664243	354.403	RLXBSMBPJPYDNB-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101480
COc1ccccc1N1C[C@@H](C(=O)NCc2n[nH]c3c2CCC3)CC1=O	ZINC22_219664168,PC-id_100045278	354.403	RLXBSMBPJPYDNB-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101481
COc1ccc(C(=O)N2Cc3c(C2)n(C)nc3C(=O)NC2CC2)c(C)c1	MCULE-4856816624,EMOLS-id_207862872	354.403	IMXBRLNXKPNGJY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101482
COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1	PC-id_93477868,ZINC22_38511286	354.403	VGHLWPGWENJXGE-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101483
COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1	ZINC22_38511284,PC-id_93477867	354.403	VGHLWPGWENJXGE-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101484
COc1ccc(N2CCN(C(=O)c3n[nH]c4c3CCC4)[C@H](C)C2=O)cc1	PC-id_96360772,ZINC22_77288007	354.403	NUYRJXOADDBEDL-GFCCVEGCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101485
COc1ccc(N2CCN(C(=O)c3n[nH]c4c3CCC4)[C@@H](C)C2=O)cc1	PC-id_96360773,ZINC22_77288008	354.403	NUYRJXOADDBEDL-LBPRGKRZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101486
Oc1ccccc1C(=O)N1CCC(CC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100973308	354.403	SGSKCHMSDJDMIO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101487
O=C1N(C)CCC1Oc1ccc(c(c1)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_97753240	354.403	UGGQUXXZKMMXIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101488
O=C([C@H]1[C@H](C1(C)C)C(=O)O)Nc1ccc(cc1)Cc1nnc2n1CCC2	PC-id_122066503	354.403	PZFMSIIWPSZZSV-CVEARBPZSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101489
O=C(N1CCCCC1)CN(C(=O)c1nn2c(c1)OCC2)c1ccccc1	EMOLS-id_99765920	354.403	POYXRZSOBUFUEA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101490
O=C(N1CCOCC1)Cc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98051611	354.403	QGVBKBBWPJTPGH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101491
O=C(Nc1ccccc1)c1cnc2n1[C@@H](CNC(=O)[C@H]1CCOC1)CC2	ZINC22_1565553221	354.403	PCXAQHRSTDLBJI-DZGCQCFKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101492
O=C(Nc1ccccc1)c1cnc2n1[C@H](CNC(=O)[C@@H]1CCOC1)CC2	ZINC22_1565553222	354.403	PCXAQHRSTDLBJI-HIFRSBDPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101493
O=C(Nc1ccccc1)c1cnc2n1[C@@H](CNC(=O)[C@@H]1CCOC1)CC2	ZINC22_1565553223	354.403	PCXAQHRSTDLBJI-UKRRQHHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101494
O=C(Nc1ccccc1)c1cnc2n1[C@H](CNC(=O)[C@H]1CCOC1)CC2	ZINC22_1565553224	354.403	PCXAQHRSTDLBJI-ZFWWWQNUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101495
O=C(NC1CC(n2c1ncc2)C)Nc1ccc2c(c1)OC1(O2)CCCC1	EMOLS-id_101392330	354.403	NULWZBSULGAAIZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-101496
O=C(Nc1cc(OCC(=O)Nc2n(nc3c2CCC3)C)ccc1)C1CC1	PC-id_47777126,MCULE-1551632517	354.403	MBPLRYBHNPVWNF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101497
O=C(NCC1CCc2ncc(C(=O)Nc3ccccc3)n12)C1CCOC1	EMOLS-id_313760719	354.403	PCXAQHRSTDLBJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101498
N#Cc1c(/N=Cc2ccccc2)c(n2c1CCC2)C(=O)Nc1ccccc1	CoCoCo_5763444	354.405	MPXCZFFCIMXRHJ-IWIPYMOSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101499
N#Cc1c(/N=C/c2ccccc2)c(n2c1CCC2)C(=O)Nc1ccccc1	NSC696794,CoCoCo_5763443,PC-id_393867	354.405	MPXCZFFCIMXRHJ-BUVRLJJBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101500
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	PC-id_7640550	354.405	LKUXWTIFKADOIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101501
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1	PC-id_7640549	354.405	RXZZMGCOFXFNPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101502
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2nncc12)C(=O)O	PC-id_14124357	354.405	VTXUGHUJTPBOQG-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-101503
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(nnc2)C1)C(=O)O	PC-id_14124258	354.405	GXVPLSFKKQUXMB-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-101504
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2nncc12)C(=O)O	PC-id_56996985	354.405	VTXUGHUJTPBOQG-GGAYLYKJSA-N	00001011100000000001001010000000000000000000000000000000	25-01-101505
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1Cn2c(nnc2)C1)C(=O)O	PC-id_57072402	354.405	GXVPLSFKKQUXMB-TYADDQFBSA-N	00001011100000000001001010000000000000000000000000000000	25-01-101506
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c([N+](=O)[O-])cccc1	PC-id_7640548	354.405	GRDXMCQBKJJBDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101507
c1(nccnc1C(=O)NCc1c2CCCc2[nH]n1)C(=O)N1CCCCC1	PC-id_118782690,MCULE-5130747300,EMOLS-id_68915632,ZINC22_299778480	354.406	PBWIQEJEFNXXSB-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-101508
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1nnc2n1CCC2	ZINC22_47988084,EMOLS-id_31974302,MCULE-7172058227,PC-id_51116428	354.406	YKHKCFGIBVBEMN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101509
CC1CCC(=O)N1c1ccc(NC(=O)NCc2nnc3CCCn23)cc1	PC-id_74242947,EMOLS-id_49665110,MCULE-7991820577	354.406	ZQIXSXJEWJSZDZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101510
C[C@@H]1CCC(=O)N1c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_97654132,PC-id_97930430	354.406	ZQIXSXJEWJSZDZ-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101511
C[C@H]1CCC(=O)N1c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_97654133,PC-id_97930431	354.406	ZQIXSXJEWJSZDZ-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101512
CCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C)C)CCOC(=O)C	PC-id_102010479	354.406	IUGNRBHZGUDMJR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-101513
CC(=O)N1CCN(CC1)c1cccc(c1)NC(=O)N1CCn2c1ncc2	EMOLS-id_316671154	354.406	DCXZAGUJWCDWIZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101514
CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_257320027	354.406	VVATVAVDLHZSKM-INIZCTEOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-101515
CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_257320028	354.406	VVATVAVDLHZSKM-MRXNPFEDSA-N	00000010100000100001100010000000000000000000000000000000	25-01-101516
CC(=O)NCc1cncc(n1)C1CCCN1C(=O)c1n[nH]c2c1CCC2	PC-id_110094813,BDE-27471010	354.406	VVATVAVDLHZSKM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-101517
CC(C)c1nccn1Cc1cc(C(=O)NCc2nnc3n2CCC3)[nH]n1	ZINC22_67696498,EMOLS-id_36578294,MCULE-2479813675,PC-id_56744125	354.41	KFBXQZYZKQABLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101518
s1c(N(C(=O)Cn2nc(c3c2CCC3)C(F)F)CCCC)ncc1	PC-id_19591176	354.418	PNIALKRKXGOYEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101519
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)F)sc2c(CCC2)n1	EMOLS-id_5565354,ZINC22_4496282,CoCoCo_5138215,PC-id_7254356,MCULE-8085789842	354.42	KRCSDYDDVPKUEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101520
CS(=O)(=O)Nc1cc(NC(=O)c2cc3c(s2)CCC3)ccc1F	PC-id_31836247,EMOLS-id_45748039,ZINC22_24462464,MCULE-1477208887,CoCoCo_4747024	354.42	RVFIQQRTWNZUOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101521
Fc1cccc(c1)CNC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_97524514	354.42	CVESSPKMKVYLSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101522
Fc1ccc(c(c1)C)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_44060368,PC-id_24656373,MCULE-3556143073,CoCoCo_4659083	354.42	MLYMGYDQAAFXTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101523
COC(=O)c1c(NC(=O)NC(CCC(=O)O)(C)C)sc2c1CCC2	PC-id_122087696	354.421	ZGTYZRGNJCAMQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101524
O=C(N1CCC(=Cc2ccccc2F)CC1)NC1CC(n2c1ncc2)C	EMOLS-id_101418675	354.421	DNIFDFIUKPBWLL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101525
c1(NC(=O)CCC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	PC-id_108807805,EMOLS-id_182638707,MCULE-5710182909	354.423	LVQGLBIRCAWRSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101526
c1(NC(=O)COc2ccccc2OCC=C)sc2c(CCC2)c1C#N	MCULE-6062508617,EMOLS-id_322628161	354.423	SCLMVDBQLPHPRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101527
C[C@@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)O)c1ccccc1	ZINC22_16482397	354.423	WCUHKRLFGFXXPN-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-101528
C[C@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)O)c1ccccc1	ZINC22_16482399	354.423	WCUHKRLFGFXXPN-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101529
CC(C(=O)Nc1ccc(cc1)C#N)OC(=O)Cc1cc2c(s1)CCC2	PC-id_137636523	354.423	BHOQDPKEZKSKBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101530
CCOC(=O)c1c(NC(=O)c2ccccc2CC#N)sc2CCCc12	MCULE-8021264119,EMOLS-id_328156145	354.423	BPFDKVQTUAYNPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101531
COc1ccccc1c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	PC-id_56661801,CHEMBL1822128	354.423	PMLWFIPLCSSXJI-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-101532
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1OC	EMOLS-id_327826554,PC-id_19173129	354.423	JQVGGTQXSVQSJK-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101533
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)c(OC)c1	EMOLS-id_327848044	354.423	KGZYHJKXSAXBGE-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101534
COc1cc(C=CC(=O)Nc2c(C#N)c3c(CCC3)s2)c(OC)cc1	MCULE-4185582340	354.423	UYIRUUKVNCDEGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101535
COc1ccc(OC)c(/C=C/C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_327964951	354.423	UYIRUUKVNCDEGJ-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101536
COc1cc(OC)c(C=CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-3613070947	354.423	KGZYHJKXSAXBGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101537
COc1c(OC)cc(C=CC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-8196623560,PC-id_73551311	354.423	JQVGGTQXSVQSJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101538
N#Cc1c(NC(=O)CC(c2ccccc2)(C(=O)O)C)sc2c1CCC2	PC-id_56809483,EMOLS-id_36993112,MCULE-6251713034	354.423	WCUHKRLFGFXXPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101539
N#CCCN(C(=O)COC(=O)c1cc2c(s1)CCC2)c1ccccc1	ZINC22_4581558,MCULE-6770236150,CoCoCo_2840940,EMOLS-id_11931422,PC-id_4209099	354.423	OOFIGCJIIVDYDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101540
O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc2c(s1)CCC2	ZINC22_58225528,EMOLS-id_44543188,PC-id_71888638,MCULE-4103359186	354.423	UYVFMXAXPPURRI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-101541
O=C(OCC(=O)N1CCC(=N1)c1ccccc1)c1cc2c(s1)CCC2	CoCoCo_2840998,ZINC22_4581607,EMOLS-id_11665363,PC-id_7291989,MCULE-8590168295	354.423	MYUYUHUXINWMGE-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-101542
s1c2CCCc2cc1C(=O)OC(c1oc(nn1)c1ccc(cc1)C)C	PC-id_78635594	354.423	HRDPHZORUKRGCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101543
s1c2CCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1ccc(cc1)C)C	PC-id_8218848	354.423	HRDPHZORUKRGCR-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101544
s1c2CCCc2cc1C(=O)O[C@H](c1oc(nn1)c1ccc(cc1)C)C	PC-id_8218849	354.423	HRDPHZORUKRGCR-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101545
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(cc(c1)C)C)C#N	PC-id_16523688	354.423	GIXXSGZPYJJELP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101546
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(c(cc1)C)C)C#N	PC-id_1667622	354.423	PFJKPYMSBPGCQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101547
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(c(ccc1)C)C)C#N	PC-id_7968249	354.423	JKAKZVZHQVONAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101548
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(ccc(c1)C)C)C#N	PC-id_8534967	354.423	ROTFBTWXGKGFPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101549
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(cc(cc1)C)C)C#N	PC-id_8646961	354.423	IBDMCDVNMYXIAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101550
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(CC)cc1)C#N	PC-id_8014889	354.423	HNOYMSVTMXMRPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101551
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1c(cccc1)C)C#N	PC-id_8982977	354.423	LHRICRLBUSEUHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101552
s1c2CCCc2c(c1NC(=O)COC(=O)CCc1ccccc1)C#N	PC-id_7574861	354.423	LJVXJKVWGOOSAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101553
c1(NC(=O)COC)c2CSCc2nn1CC(=O)NCC1CCCO1	MCULE-3239738692,EMOLS-id_24913333,PC-id_44053059	354.425	QQMAPBVUYKPGOD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101554
CCC(=O)N1CCCCC1C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389642	354.425	DSYUAFCJDIMZHW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101555
COCC(=O)Nc1c2c(nn1CC(=O)NC[C@@H]1CCCO1)CSC2	PC-id_30862363,CoCoCo_5277606,ZINC22_23139054	354.425	QQMAPBVUYKPGOD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-101556
COCC(=O)Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2	ZINC22_23139057,PC-id_30862365,CoCoCo_5277607	354.425	QQMAPBVUYKPGOD-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101557
O=C(C1CCCO1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201116	354.425	WXQSIPIFIIQKCL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101558
O=C(C1CC(=O)N(C1)C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481212	354.425	WFUUMYZCJDOKTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101559
S1C2N(C(=O)C2C(O)C)C(=C1SC1C[n+]2n(C1)ccc2)C(=O)O	PC-id_14124267	354.425	ZEMHIPUQNQCEFM-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-101560
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCC(=O)OCC	PC-id_7685483	354.425	GLIAGHDZDXSEJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101561
S1Cc2c(nn(c2NC(=O)OCC)CC(=O)NCC2OCCC2)C1	PC-id_44053213	354.425	MYIXUBNLABYCKB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101562
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1C[n+]2n(C1)ccc2)C(=O)O	PC-id_57125834	354.425	ZEMHIPUQNQCEFM-XIYAFUFESA-O	00001011100000000001001010000000000000000000000000000000	25-01-101563
c12SCCn1cc(CNC(=O)c1cc(no1)CCc1ccccc1)n2	MCULE-4945689755,PC-id_28738523,EMOLS-id_20462667,CoCoCo_1217808,ZINC22_20209948	354.426	BYOBPBYBMWKPBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101564
c1(C(=O)Nc2sc3c(CCC3)n2)cc(nn1C)c1ccc(cc1)OC	MCULE-7483032751,STOCK7S-26866,ZINC22_72402988,PC-id_60175435,EMOLS-id_46564656,EMOLS-id_43036353	354.426	DJKLIYGJIMYGJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101565
c1(C(=O)NCc2cnc(c3ccccc3OC)s2)c2CCCc2[nH]n1	MCULE-5854851708,ZINC22_215122232,PC-id_77080670,EMOLS-id_49870080	354.426	WCAHFSGPYVYTKT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101566
c1(C(=O)NCCc2cccs2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316255224,MCULE-9753863290	354.426	BCISNHJVWMFVLR-HNNXBMFYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-101567
c1(C(=O)NCCc2cccs2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-4341691859,EMOLS-id_316254714	354.426	QWOULUGQDUEDMR-HNNXBMFYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-101568
c1(C(=O)NCCc2cccs2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-9215706057	354.426	QWOULUGQDUEDMR-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-101569
c1(NC(=O)c2ccnc(c2)NC(=O)C(C)C)sc2c(CCC2)c1C#N	MCULE-5039518480,EMOLS-id_322821162	354.426	YFJHBGKMFWXKGL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-101570
c1(NC(=O)CCCc2onc(c3ccccc3)n2)sc2c(CCC2)n1	MCULE-1644183680,EMOLS-id_323384712	354.426	WWQPKAJMJQWOSI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101571
Cc1cccc(C)c1n1nnnc1COC(=O)c1cc2c(s1)CCC2	EMOLS-id_44544304,ZINC22_60584204,PC-id_71888104,MCULE-4233698522	354.426	INEDUYYFBOONAM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101572
O=c1[nH]nc([nH]1)C(NC(=O)c1sc2c(c1)CCC2)Cc1ccccc1	EMOLS-id_319721058	354.426	XDIRIMMMOJPQJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101573
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)OCCn1ncnc1	PC-id_87025621	354.426	HBLCUWXYYYYRJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101574
s1c2CCCc2nc1NC(=O)CCc1oc(nn1)c1ccc(cc1)C	PC-id_51233111	354.426	PZMAJRGNGJQXNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101575
s1c2CCCc2nc1NC(=O)CCc1onc(n1)c1ccc(cc1)C	PC-id_28028685	354.426	VNWHYEMQHIDEGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101576
s1cc(nc1Cc1ccccc1)C(=O)N1Cc2n(ncc2C1)CCO	PC-id_56739036	354.426	BRYLJLIBTVYOTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101577
c1(C(=O)NCc2c3CCCc3[nH]n2)c(CC)nc(c2ncccn2)s1	MCULE-3536038822,ZINC22_1857734070,EMOLS-id_330458425	354.429	CLBVMTHDQBBGOY-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-101578
Cc1ccc(c2nnc(NC(=O)NCc3n[nH]c4c3CCC4)s2)cc1	PC-id_28346583,EMOLS-id_23824086,ZINC22_19782115,CoCoCo_1463689,MCULE-4433075619,CoCoCo_1463690	354.429	GYFLGKPAPPNXPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101579
Cc1ccccc1c1nnc(NC(=O)NCc2n[nH]c3c2CCC3)s1	ZINC22_67908376,PC-id_46997070,EMOLS-id_32425532,MCULE-3414478300	354.429	QTBNZHKOHCTZIE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101580
Cc1ccc(cc1)Nc1scnc1C(=O)NC1CC(n2c1ncn2)C	EMOLS-id_319371395	354.429	YHDAYPBUWJNKCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101581
n1(c2ccc(cc2)CC(=O)NCCc2sc3c(CCC3)n2)cnnn1	PC-id_118789728,EMOLS-id_68929556,ZINC22_299794135,MCULE-3523119435	354.429	IYQUQMHYDFCUHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101582
n1(cnnn1)C(c1ccccc1)C(=O)NCCc1sc2c(CCC2)n1	MCULE-8919737744,EMOLS-id_55642276,PC-id_91773967	354.429	RURJYYMBGGTMDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101583
O=C(N1CCn2c1ncc2)Nc1nnc(s1)C(c1ccccc1)(C)C	EMOLS-id_319379396	354.429	IEXATMUKAHLQKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101584
O=C(NCCc1nc2c(s1)CCC2)[C@@H](c1ccccc1)n1cnnn1	PC-id_100048831,ZINC22_219862235	354.429	RURJYYMBGGTMDP-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101585
O=C(NCCc1nc2c(s1)CCC2)[C@H](c1ccccc1)n1cnnn1	PC-id_100048832,ZINC22_219862280	354.429	RURJYYMBGGTMDP-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101586
S1CCn2c1nc(c2)CNc1nc(Nc2cc(O)ccc2)nc(c1)C	PC-id_72898409	354.429	GXADMMJDVCSUJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101587
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)OCC2CC2)n1	MCULE-7853619200,EMOLS-id_330994940	354.443	NADNOOYIXUFMRP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101588
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)OCC1CC1	MCULE-3809118719,EMOLS-id_330979767	354.443	HCJKULPTBAPKBT-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101589
CCC(C)[C@H](NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	EMOLS-id_328212593	354.443	BPFCWOJMUYOYKC-PKDNWHCCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101590
CCCCC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	EMOLS-id_328214645,MCULE-1389722870	354.443	AIKQIJIXHYXDFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101591
CC(C)CC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-3699048905,EMOLS-id_328212095	354.443	HSNVCUFZFJITJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101592
CC(C)(C)OC(=O)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328212600,MCULE-2952108457	354.443	FOMVHEWJFKOGFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101593
CCOC(=O)CCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3220007281,EMOLS-id_328214391	354.443	OVOSFWDLBPWKHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101594
CCOC(=O)CCN(C)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9543178571,EMOLS-id_328338334	354.443	OFJDTJNKTZUVHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101595
CN(C(=O)c1occ2c1CCC2)c1ccc(OCCN2CCCC2)cc1	ZINC22_585082059,EMOLS-id_177202209,MCULE-9658332241	354.443	WGFSDKWNOBVQAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101596
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCCC(=O)O	EMOLS-id_328214385,MCULE-6947073778	354.443	IOYJIANXNHCJEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101597
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCN(CC)CC	PC-id_24811570	354.443	MIMLNCUMNBANPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101598
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)(c1ccccc1)C(=O)[O-]	PC-id_51518903	354.443	QYYKKNDQALVRIF-UHFFFAOYSA-M	00000010100010110000100010000000000000000000000000000000	25-01-101599
c1(NC(=O)CS(=O)C(CC)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_320641279,MCULE-8140304891	354.444	XVLMIJQXXSQAPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101600
c1(NC(=O)CS(=O)CCCC(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_320644344,MCULE-5643370838	354.444	CVVYRJDGZWJRDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101601
c1(NC(=O)CS(=O)CC(=O)OCCC)sc2c(CCC2)c1C#N	MCULE-5145217426,EMOLS-id_320676202	354.444	RNPOIMUDZWHAMI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101602
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCC(=O)OCC	EMOLS-id_186620288,MCULE-2165858371	354.444	MXMXIRVZTNVIMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101603
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CC(=O)OC(C)C	EMOLS-id_186586211,MCULE-1448459352	354.444	ZENZJUWRYFGHBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101604
CCc1ccc(cc1)OCCS(=O)(=O)Nc1c2CSCc2no1	PC-id_90518871	354.444	RTCMACQQPGFVPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101605
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N(C)C)C)C(=O)OC	PC-id_33066060	354.444	IEKDIABICUQTIY-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-101606
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCC[NH+](C)C)C(=O)OC	PC-id_8069959	354.444	MEWMEGZNUBHGDG-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-101607
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC[NH+](C)C)C(=O)OCC	PC-id_8034500	354.444	HMDKSZRNHSADSA-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-101608
s1c2c(CCC2)c(c1NC(=O)NCC[NH+]1CCOCC1)C(=O)OC	PC-id_8035192	354.444	BYAFRBRSCXZBAX-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-101609
c12CN(Cc1cnn2CCO)C(=O)c1ccc(cc1)CN1CCCCC1	PC-id_72845270,ZINC22_95499121,MCULE-3453384003,EMOLS-id_48431486	354.446	OJLPKUFZJCENMW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101610
c12CN(Cc1cnn2CCO)C(=O)c1cccc(CC2CCNCC2)c1	MCULE-6099609710,ZINC22_72158122,PC-id_56908007,EMOLS-id_43153651	354.446	TYFAJBXOMRLIPM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101611
c12CN(Cc1nn(CC1CCC1)c2CNC)C(=O)OCc1ccccc1	MCULE-4086356420,EMOLS-id_324351588	354.446	ZTXPFBNYMBYQAO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-101612
c12CN(Cc1nn(CC1CCCC1)c2CN)C(=O)OCc1ccccc1	MCULE-4110474941,EMOLS-id_324352608	354.446	NHECGTIWHOMABU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101613
c12CN(Cc1nn(CC1CCCCC1)c2N)C(=O)OCc1ccccc1	MCULE-1620550403,EMOLS-id_324338535	354.446	NBJCUQCIRWSWEA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101614
c1(c2CCCc2[nH]n1)C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1	MCULE-2786368137,ZINC22_1857737887,EMOLS-id_330486345	354.446	HXTJEZALNUDPRU-HKUYNNGSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101615
c1(C(=O)NC2CCN(CC2)Cc2ccccc2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316336991,MCULE-7095901215	354.446	IOBPPEQLPRMSAN-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101616
c1(C(=O)NC2CCN(CC2)Cc2ccccc2)cc2n(CC(OC)C2)n1	MCULE-2169599985	354.446	IOBPPEQLPRMSAN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101617
c1(C(=O)NC2CCN(CC2)Cc2ccc(cc2)OC)c2CCCc2[nH]n1	EMOLS-id_323260080,MCULE-5344399391	354.446	GMJRUKNCHNNZNW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101618
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)C(CC)CC)n1	MCULE-8522763194	354.446	LUANRSXTARBCGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101619
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)C(CC)CC)n1	EMOLS-id_316332853,MCULE-1216115913	354.446	LUANRSXTARBCGO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101620
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)C(CC)CC	MCULE-4589470680,EMOLS-id_316254710	354.446	FCIRWFJLEFMDGV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101621
Cc1ccc(cc1)C(NC(=O)c1n[nH]c2c1CCC2)CN1CCOCC1	EMOLS-id_97921578	354.446	FTAXOCCWQLLNRW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101622
CC1COC(CN1C(=O)NC1CC(n2c1ncc2)C)c1ccccc1C	EMOLS-id_101579166	354.446	IXVOGLXDSDGUGP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101623
CC(C(c1[nH]nc2c1CN(C2(C)C)C(=O)C)NC(=O)c1ccccc1)C	SCHEMBL2917980,PC-id_68440479	354.446	GYBMICHHCUUDKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101624
CCC(C(=O)NC1Cn2c(C1)c(cn2)C(=O)NCc1ccccc1)CC	MCULE-5644863526	354.446	FCIRWFJLEFMDGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101625
CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(C)(C)C	SCHEMBL2916796,PC-id_68440066	354.446	XDLFXLKZJSFWQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101626
CN1CCN(CC1)Cc1oc2c(n1)CN(C2)C(=O)CCc1ccccc1	PC-id_97406079	354.446	HAFZTCDPAAZNOK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101627
CN(C1CCN(CC1)C(=O)c1oc2c(n1)CN(C2)Cc1ccccc1)C	PC-id_97410647	354.446	OBEPEUVNBZXACP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101628
COc1ccc(C2(C(=O)NC[C@@H]3Cc4nnc(C)n4C3)CCCC2)cc1	ZINC22_1772804814	354.446	DZYKXZPVTXEELT-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101629
COc1ccc(C2(C(=O)NC[C@H]3Cc4nnc(C)n4C3)CCCC2)cc1	ZINC22_1772804816	354.446	DZYKXZPVTXEELT-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101630
COc1ccc(cc1)C1(CCCC1)C(=O)NCC1Cc2nnc(C)n2C1	MCULE-7684953780,EMOLS-id_317878433	354.446	DZYKXZPVTXEELT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101631
COc1ccc(cc1)C(=O)N1Cc2c(C1)c(nn2C)CN1CCCCC1	PC-id_97410144	354.446	YLBCKKPJUMMVMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101632
COc1cccc(c1)C(=O)N1Cc2c(C1)n(nc2CN1CCCCC1)C	PC-id_97413574	354.446	WWSOMPNTGLXANK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101633
COc1ccccc1N1CC[C@H](C)N(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_364178271	354.446	DRGCVVXGKYUZKO-AWEZNQCLSA-N	00000010100000110101100010000000000000000000000000000000	25-01-101634
COc1ccccc1N1CC[C@@H](C)N(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_364178276	354.446	DRGCVVXGKYUZKO-CQSZACIVSA-N	00000010100000110101100010000000000000000000000000000000	25-01-101635
COc1ccccc1N1CCC(N(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_316040937,MCULE-6519227635	354.446	DRGCVVXGKYUZKO-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-101636
COc1ccc(cn1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109952	354.446	VAALGCZKKGDBBO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101637
COc1ncccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109721	354.446	DQIHGIXSTJOMAQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101638
n1c(CNC(=O)CC2CN(CCO2)Cc2ccccc2)c2c(CCC2)[nH]1	MCULE-9519457424,EMOLS-id_68889259,PC-id_118769797	354.446	DWLOQZULJMKIHQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101639
O(C1C(CC(CC1C)C)C)C(=O)c1c2n(c(=C(C)C)c1[N+]#[C-])c(nn2)C	PC-id_59449140	354.446	GLBNXWFOEVUOSA-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-101640
O=C(c1cccn(c1=O)C)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109690	354.446	AZSBBLQBAFAWAC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101641
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1n[nH]c2c1CCC2	ZINC22_299756225	354.446	DWLOQZULJMKIHQ-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101642
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1n[nH]c2c1CCC2	ZINC22_299756227	354.446	DWLOQZULJMKIHQ-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101643
O=C(N1Cc2c(C1)c(nn2C)CN1CCCCC1)COc1ccccc1	PC-id_97413573	354.446	NHWXOXFOYGSQGL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101644
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1noc(c1)C1CC1	PC-id_92109876	354.446	OQNZSOIOBQGORB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-101645
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)COc1cccnc1	PC-id_92109692	354.446	IWZWSTXOZGJOJU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101646
C[S@@](=N)(=O)c1cccc(CNS(=O)(=O)c2cnc3n2CCC3)c1	ZINC22_2325850157	354.448	NTIWWNCGSHINFW-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101647
C[S@](=N)(=O)c1cccc(CNS(=O)(=O)c2cnc3n2CCC3)c1	ZINC22_2325850158	354.448	NTIWWNCGSHINFW-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101648
N#Cc1c(NC(=O)CCS(=O)(=O)C2CCCC2)nc2n1CCS2	EMOLS-id_98900449	354.448	ARVAUOGIIVSXGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101649
NC(=O)c1cc(cn1C)S(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_318043034	354.448	KPMUDMDKUHTTNB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-101650
O=C(C(NS(=O)(=O)c1cccs1)C)Nc1n(C)nc2c1CCC2	PC-id_145876985,EMOLS-id_316847764	354.448	CJCAZULFDWIJLP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-101651
O=S(=O)(c1cnc2n1CCC2)Nc1ncc(s1)C1CCOCC1	EMOLS-id_101292750	354.448	QHJCPDRTNMABRO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101652
O=S(=O)(c1cnc2n1CCC2)Nc1scc(n1)C1CCOCC1	EMOLS-id_98551286	354.448	AVCJDQUNRVCAIQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101653
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(n(nc1C)C)C	PC-id_8823137	354.448	XZIRYXHHQNPOCQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101654
s1c2c(CCC2)c(c1NC(=O)CSC1NCCC(=O)N1)C(=O)N	PC-id_78344243	354.448	YOJMJKJXMSUVRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101655
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1nc(C)ncc1CN(C)C	BDE-33349676,MCULE-6382295130,PC-id_110119069,EMOLS-id_43267937	354.449	NLHBETXXUBXPGH-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-101656
c1(NC(=O)CSc2nc(C)ccc2C#N)sc2c(CCC2)c1C#N	SPECS-id_AM-807/14147252,CoCoCo_6930061,ZINC22_663275,STOCK3S-16940,PC-id_1005125,EMOLS-id_3750026,MCULE-5711808256	354.449	QBGAVAYAZDQZEI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-101657
Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_257274492	354.449	NLHBETXXUBXPGH-INIZCTEOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-101658
Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1	ZINC22_257274493	354.449	NLHBETXXUBXPGH-MRXNPFEDSA-N	00000010100000100001100010000000000000000000000000000000	25-01-101659
C=CCOc1ccccc1CN=C(NCc1nnc2n1CCC2)NCC	PC-id_111556530	354.449	VOUJXULTKMDDTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101660
CCN1CCN(c2ccc(CNC(=O)c3n[nH]c4c3CCC4)cn2)CC1	MCULE-8099431574,ZINC22_120372152,EMOLS-id_98190988	354.449	OBYKETDAWSNSLS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-101661
CN=C(N1CCC(C1)c1ccc(cc1)OC)NCc1nnc2n1CCC2	PC-id_111731201	354.449	JPTNVBKAHLNHHE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101662
CN=C(N1CCC(CC1)Oc1ccccc1)NCc1nnc2n1CCC2	PC-id_109426724	354.449	KEVAPBCURGWMNL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101663
CN=C(N1CCOC(C1)c1ccccc1C)NCc1nnc2n1CCC2	PC-id_109480685	354.449	LVPNOISMDSCFTK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101664
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1OCC1CC1	PC-id_111576719	354.449	VKUPGYVUFZJNDW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-101665
O=C(N1CCCCCC1c1ccncc1)NC(c1nnc2n1CCC2)C	EMOLS-id_318233606	354.449	PLZVINAQJGZRME-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-101666
O=C(N1CCN(CC1)c1ccccc1)CCNC1CC(n2c1ncn2)C	EMOLS-id_279082508	354.449	BRABEGFKRHHUIO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101667
O=C(N1CCN(CC1)Cc1cc(ccc1)C)NCc1n2CCCc2nn1	PC-id_52380247	354.449	OXBIIPDKDRXPLX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101668
O=C(N1CCN(CC1)C(c1cccnc1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101415699	354.449	YWBZJSREYGQOLA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101669
O=C(N1CCN(CC1)CCc1ccccc1)NCc1n2CCCc2nn1	PC-id_52380271	354.449	LQXBZDWNUKJPAL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101670
O=C(NC1CCN(CC1)Cc1ccccc1)NCc1n2CCCc2nn1	PC-id_52380269	354.449	JZTQUEMGAVLGMP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101671
Cc1nsc(n1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223383	354.451	XTWFUVOAIBJYQI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101672
CCSc1nnc(NC(=O)CN2Cc3cnn(CCO)c3C2)s1	EMOLS-id_55623806,MCULE-3229024800,ZINC22_244678529,PC-id_91831503	354.451	IFHCVUSVPMANMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101673
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ccccn1	PC-id_111219685	354.453	HIYJQTJCXUDQSI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-101674
CN(CCN1CC(c2c1scc2)S(=O)(=O)c1ccccc1F)C	PC-id_22149010,SCHEMBL5240433	354.463	QIFUSHACBOGLCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101675
CN(CCN1CC(c2c1scc2)S(=O)(=O)c1cccc(c1)F)C	PC-id_22149024,SCHEMBL5235138	354.463	LOCDDUSTHJZCJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101676
CN(CCN1CCc2c1sc(c2)S(=O)(=O)c1cccc(c1)F)C	SCHEMBL5237905,PC-id_69366127	354.463	WLGDSRMFVVAFCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101677
CN(CCN1CCc2c1sc(c2)S(=O)(=O)c1ccccc1F)C	SCHEMBL5241299,PC-id_69367518	354.463	LZPUKKIRZFPPIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101678
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCCC1	CoCoCo_203785,PC-id_3132183,MCULE-8339278904,ZINC22_4589987,BAS-01533145,EMOLS-id_1341474	354.466	CJRUFENPFOFMQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101679
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)N1CCCCC1	EMOLS-id_1231037,ZINC22_1188841,PC-id_1350872,CoCoCo_81785,MCULE-1763566440	354.466	MHTPRCMHLZPNAB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-101680
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCCC1	EMOLS-id_2253896,PC-id_1370180,MCULE-2064939054,CoCoCo_707528,ZINC22_1216748	354.466	GNKMUSIEBXTWLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101681
c1(NC(=O)C2(CCCC2)c2ccccc2)sc2c(CCC2)c1C(=O)N	SPECS-id_AP-970/43482643,PC-id_44120664,ZINC22_41091659,EMOLS-id_30087294,MCULE-8330694262,SPECS-id_AN-153/J113668	354.466	XXCDVIPGODFYGG-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-101682
c1(NC(=O)c2ccc(cc2)OCCCCC)sc2c(CCC2)c1C#N	MCULE-7996483118,ZINC22_4194654,PC-id_4115069,EMOLS-id_5474824,CoCoCo_5018493	354.466	NFAFEFIECRZNEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101683
c1(NC(=O)c2ccc(cc2)OCCC(C)C)sc2c(CCC2)c1C#N	ZINC22_862618,BAS-01506099,PC-id_1124368,EMOLS-id_1338829,MCULE-3185960639,CoCoCo_201709	354.466	UABCALXSSIGISF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101684
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)N	PC-id_4503677,MCULE-1784863075	354.466	ZEXVABVELOIZSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101685
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C#N	EMOLS-id_322627138,MCULE-1709621776	354.466	HSUCNIIMSXLIDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101686
c1(NC(=O)CCCOc2c(C)cccc2C)sc2c(CCC2)c1C#N	EMOLS-id_322628673,MCULE-7731249920	354.466	UCAMAAXDBQUIOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101687
c1(NC(=O)C(C)Oc2ccccc2C(C)C)sc2c(CCC2)c1C#N	MCULE-3131816039,EMOLS-id_322626625	354.466	CGVXZLKFOLEBPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101688
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	MCULE-9699400151,EMOLS-id_322628417	354.466	HIMPUTGWQOOOLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101689
c1(NC(=O)COc2ccc(cc2)C(C)CC)sc2c(CCC2)c1C#N	EMOLS-id_1778522,MCULE-4283774816,PC-id_2957054	354.466	KXEMJILZOFVAQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101690
c1(NC(=O)COc2cc(C)ccc2C(C)C)sc2c(CCC2)c1C#N	PC-id_4511565,MCULE-7661369577,EMOLS-id_322612847	354.466	DEYMBFDUTFTUBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101691
Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1C(=O)N1CCCC1	PC-id_51115764,MCULE-8465783871,EMOLS-id_33350036,ZINC22_58416736	354.466	RANYSRSFSUTYCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101692
CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_6131672,EMOLS-id_181348387,ZINC22_6263178	354.466	ZEXVABVELOIZSE-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101693
CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_3221834,EMOLS-id_43798187,PC-id_2340336,MCULE-1636487074,CoCoCo_3170169	354.466	RPURXHAUZMXXNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101694
CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	PC-id_1298125,CoCoCo_999709,ZINC22_1121472	354.466	KXEMJILZOFVAQR-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101695
CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_1121471,CoCoCo_999710,PC-id_1298124	354.466	KXEMJILZOFVAQR-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101696
s1c2c(CCC2)cc1C(=O)N1CCC(CC1)C(=O)Nc1ccccc1	PC-id_8203569	354.466	PWVKDGGQPFSXOL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-101697
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_9303345	354.466	WHIFFYUYQHDXDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101698
s1c2CCCc2cc1C(=O)Nc1c(C(=O)N2CCCCC2)cccc1	PC-id_37079712	354.466	UULBCOSWAWAYQU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-101699
c1(NC(=O)C(=O)NCCCOCC)c2CSCc2nn1C(C)(C)C	ZINC22_5438116,EMOLS-id_5617874,CoCoCo_5184693,ChEMBL-DNDi_CHEMBLF2780-0701,PC-id_7685482,MCULE-5660885996	354.468	BRIQGRDPLZCLCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101700
CC(CC(=O)N1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100197096	354.468	CVIVAOXZQULVNC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101701
CC(C(C(=O)NS(=O)(=O)c1cnc2n1CCC2)N1CCCCC1)C	EMOLS-id_112057212	354.468	GHALEAIKSUMZJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101702
C[C@@H]1CN(CCN1S(=O)(=O)c1cnc2n1CCC2)C1CCOCC1	EMOLS-id_100535142	354.468	ZWCSOHADOKEIHR-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101703
C[C@H]1CN(CCN1S(=O)(=O)c1cnc2n1CCC2)C1CCOCC1	EMOLS-id_100540575	354.468	ZWCSOHADOKEIHR-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101704
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)CCS(=O)(=O)C)C2	ZINC22_1565547592,EMOLS-id_313737170	354.468	QGXVGJYIMVFWAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101705
O=C(C(C)C)NCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100203390	354.468	YQZKMQOFLBRIFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101706
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)CN1CCOCC1	EMOLS-id_100186461	354.468	AAURGAUIQCPIQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101707
O=S(=O)(c1cnc2n1CCC2)N1CCC[C@H](C1)CN1CCOCC1	EMOLS-id_97748501	354.468	FHOIEUGEAHOYHS-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101708
O=S(=O)(c1cnc2n1CCC2)N1CCC[C@@H](C1)CN1CCOCC1	EMOLS-id_97869135	354.468	FHOIEUGEAHOYHS-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101709
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)CC1CCOCC1	EMOLS-id_100178477	354.468	RPUFSYBQAVZBLG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101710
O=S(=O)(c1cnc2n1CCC2)NCC1(CCOCC1)N1CCCC1	EMOLS-id_100182609	354.468	HDZJMRVSHQFMAO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101711
s1c2c(CCC2)c(c1NC(=O)CSC1=[NH+]CCN1)C(=O)OCC	PC-id_33698835	354.468	SDIIHYHFZBGYIN-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-101712
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)CC(C)(C)C	PC-id_44052973	354.468	HTDVTVQKGIZDBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101713
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)C(CC)CC	PC-id_44052974	354.468	NANXUUMBENRVEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101714
Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3882077,CoCoCo_3882078,PC-id_41198578,ZINC22_9753588	354.469	JLCLTPMXHDHFSU-INIZCTEOSA-N	00000010110000000000100010000000000000000000000000000000	25-01-101715
Cn1cccc1[C@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3882080,CoCoCo_3882079,ZINC22_9753591,PC-id_41198581	354.469	JLCLTPMXHDHFSU-MRXNPFEDSA-N	00000010110000000000100010000000000000000000000000000000	25-01-101716
n1c2CCCc2sc1CN1CCCC(COc2cc(ccn2)C#N)C1	EMOLS-id_320320175,MCULE-1627946094	354.469	VBZBBKOOBWNXKZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101717
N#Cc1ccnc(OC[C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)c1	ZINC22_1776001470	354.469	VBZBBKOOBWNXKZ-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101718
N#Cc1ccnc(OC[C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)c1	ZINC22_1776001471	354.469	VBZBBKOOBWNXKZ-OAHLLOKOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101719
N#Cc1c(NC(=O)c2cc(n(n2)C2CCCCC2)C)sc2c1CCC2	EMOLS-id_98844747	354.469	HNYUYTQOOMHYLN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101720
N#Cc1c(NC(=O)CN2CCCC2c2cccn2C)sc2c1CCC2	EMOLS-id_3697939,PC-id_16356189,MCULE-3378982884	354.469	JLCLTPMXHDHFSU-UHFFFAOYSA-N	00000010110000000000100010000000000000000000000000000000	25-01-101721
O=C(N1CCC=C(C1)c1ccncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009045	354.469	PRSCFLIKLBNYBW-UHFFFAOYSA-N	00000010100011101001100010000000000000000000000000000000	25-01-101722
O=C(N1C[C@H]([NH+](CCc2ncccc2)C)CCC1)c1n[nH]c2c1CCC2	PC-id_42098166	354.469	LAWXLYOZUWRWAR-MRXNPFEDSA-O	00000010100010101001000010000000000000000000000000000000	25-01-101723
O=C(N1C[C@@H]([NH+](CCc2ncccc2)C)CCC1)c1n[nH]c2c1CCC2	PC-id_42098168	354.469	LAWXLYOZUWRWAR-INIZCTEOSA-O	00000010100010101001000010000000000000000000000000000000	25-01-101724
c1(NC(=O)CSc2nnc(C)s2)sc2c(CCC2)c1C(=O)N	PC-id_2055098,CoCoCo_228659,MCULE-8645814473,EMOLS-id_1363079,BAS-02052701,ZINC22_2476395	354.471	QYRWSHBUVGGGIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101725
CCNC(=NCc1nnc2n1CCC2)N1CCS(=O)(=O)C(C1)(C)C	PC-id_109704875	354.471	OEKJWVAFPFNVKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101726
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1scnn1)C)C(=O)N	PC-id_8936006	354.471	HCDZYYYQNOQROR-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-101727
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1scnn1)C)C(=O)N	PC-id_8936010	354.471	HCDZYYYQNOQROR-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101728
s1c2c(CCC2)c(c1NC(=O)C(Sc1scnn1)C)C(=O)N	PC-id_84876110	354.471	HCDZYYYQNOQROR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101729
CCCCOCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2349870337,EMOLS-id_328208767	354.486	ZIEONNLFQKXZOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101730
c1(NC(=S)NC(=O)CC(C)(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_19189232,MCULE-1154495691	354.487	ZWJVIDOUFHZHHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101731
c1(NC(=S)NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-7530932493,ZINC22_4657016,SPECS-id_AN-329/40901540,CoCoCo_6184359,SPECS-id_AT-084/J172025,TIMTEC523371,SPECS-id_AN-153/I208980,PC-id_4778679,EMOLS-id_3767704	354.487	WHMACQQHPBSVGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101732
c1(NC(=S)NC(=O)CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4925665,MCULE-1502524837	354.487	MNHFQJCEYPNTBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101733
c1(NC(=S)NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_4927630,MCULE-4952154677,ZINC22_13988270	354.487	VAWNUTLWRWTWPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101734
CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCS2	SCHEMBL6204199,PC-id_10021046	354.487	CJWLFIBRUFXWGK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-101735
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)N1CCCS1(=O)=O	EMOLS-id_101671082	354.487	VWRRUCZHSNNLED-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101736
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)C1CCS(=O)(=O)C1	EMOLS-id_110644265,PC-id_17475799	354.487	NBEZIOPFWWVCJB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101737
s1c2c(CCC2)c(c1NC(=S)N1CC(OC(C1)C)C)C(=O)OC	PC-id_19654300	354.487	GMOHFUPBBKTCTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101738
s1c2c(CCC2)c(c1NC(=S)NC(C1OCCC1)C)C(=O)OC	PC-id_17299232	354.487	ARTWUQOILXNJOQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101739
s1c2c(CCC2)c(c1NC(=S)NCC1OCCC1)C(=O)OCC	PC-id_84823545	354.487	YUVAFUCCFYJHOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101740
s1c2c(CCC2)c(c1NC(=S)NC[C@H]1OCCC1)C(=O)OCC	PC-id_8729362	354.487	YUVAFUCCFYJHOM-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-101741
s1c2c(CCC2)c(c1NC(=S)NC[C@@H]1OCCC1)C(=O)OCC	PC-id_8729368	354.487	YUVAFUCCFYJHOM-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101742
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCCC)C(=O)OC	PC-id_4954037	354.487	YCRAYSUJLLDLLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101743
S1(=O)(=O)C[C@H](N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)CC1	PC-id_9500684	354.487	NBEZIOPFWWVCJB-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101744
S1(=O)(=O)C[C@@H](N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)CC1	PC-id_9500686	354.487	NBEZIOPFWWVCJB-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101745
s1c2c(CCC2)c(c1NC(=O)CNCCC[NH+](C)C)C(=O)OCC	PC-id_32559629	354.488	YSVIYUPNRSSXRK-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-101746
CCc1ccc(cc1)C(NC1CC(n2c1ncc2)C)CN1CCOCC1	EMOLS-id_318012825	354.489	LCAYGHUJIUHVPH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-101747
CC(C)CCN1Cc2c(C1)n(nc2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_90976510	354.489	HAPVYXLVGAWFNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101748
CC(CCN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C)C	SCHEMBL2914400,PC-id_68439198	354.489	QQRXUKGHFOTONV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101749
CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)[C@H]1CC[C@H](C)CC1)C2	EMOLS-id_313733586,ZINC22_2055718007	354.489	UDOCLJIEVRKPTI-QAQDUYKDSA-N	00000010110010000001000010000000000000000000000000000000	25-01-101750
CN1Cc2c(C1)[nH]nc2C(=C)N(CCOc1ccccc1C(C)(C)C)C	PC-id_144718797	354.489	VKFBBSCIXSQJPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101751
s1c2CCCc2cc1C(=O)N/N=C/1CC[NH+](CC1)Cc1ccccc1	PC-id_9462523	354.489	QHBUFSQYZMLFJH-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-101752
s1c2CCCc2c(c1NC(=O)C[n+]1ccc(C(CC)CC)cc1)C#N	PC-id_8877832	354.489	ORQYRBZOIGUCNR-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-101753
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C(C)C)c1ccccc1)C#N	PC-id_84934451	354.489	OAUOBTKTEKHCOO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-101754
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](C(C)C)c1ccccc1)C#N	PC-id_9131967	354.489	OAUOBTKTEKHCOO-IBGZPJMESA-O	00000010100000110000000010000000000000000000000000000000	25-01-101755
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](C(C)C)c1ccccc1)C#N	PC-id_9131969	354.489	OAUOBTKTEKHCOO-LJQANCHMSA-O	00000010100000110000000010000000000000000000000000000000	25-01-101756
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(cc1)CC)C)C#N	PC-id_8025607	354.489	GRHAPVFMCAAFDG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-101757
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(cc(cc1)C)C)C)C#N	PC-id_9045566	354.489	SHKZCEAREWFARF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-101758
s1c2CN(Cc2cc1C(=O)NCc1sccc1)Cc1ccccc1	PC-id_16001511	354.489	JCWZXOQXXCRGIV-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-101759
c1(NC(=S)NN2CCN(CC2)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2026149,CoCoCo_990001,MCULE-5576749634,ZINC22_4395675,PC-id_1295467,TIMTEC228426,CoCoCo_990002	354.491	IWSCAEXTODXHGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101760
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCC[NH+](C)C	PC-id_7685490	354.491	VACJASFHGOSALR-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-101761
Cc1cc(N2CCC(NCc3n[nH]c4c3CCC4)CC2)nc(C(C)C)n1	MCULE-9794615227,ZINC22_95502583,EMOLS-id_48627476,PC-id_72855853	354.492	GEWBAZAFIMSQQJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-101762
CN=C(NC(c1ccc(cc1)CC(C)C)C)NCc1nnc2n1CCC2	PC-id_111298673	354.492	JOFVZUANBMGFLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101763
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(cc1)CC)(C)C	PC-id_109465026	354.492	PNYQUVPDBVIVCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101764
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1)C(C)(C)C	PC-id_111020643	354.492	OXAUYEMVJJZJCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101765
CN=C(NCc1nnc2n1CCC2)NCC(c1ccccc1)(CC)CC	PC-id_111499955	354.492	ZRZYDQBTZZGSBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101766
CN=C(NCc1nnc2n1CCC2)NCCCc1ccc(cc1)C(C)C	PC-id_111549137	354.492	CGKBLWVEGXYVGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101767
s1c2CCCc2cc1C(=O)NCc1ccc(CN2CCCCC2)cc1	PC-id_8545291	354.509	WGNYIQMIZFVZAD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-101768
s1c2CCCc2cc1C(=O)N(Cc1ccc(N2CCCCC2)cc1)C	PC-id_46662267	354.509	PURZTLMERZHCQX-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-101769
s1c2CCCc2cc1C(=O)NCc1c(CN2CCCCC2)cccc1	PC-id_8969254	354.509	OIALYOMRBQPKLH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-101770
CC1CC(C)CN(C1)C(CNS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100199169	354.511	SZOCXPINVHUUER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101771
CN(S(=O)(=O)c1cnc2n1CCC2)C(CN1CCCCCC1)(C)C	EMOLS-id_100597216	354.511	HKJJBSQOEGJALM-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-101772
s1c2c(CCC2)c(c1NC(=S)NCCCCCCC)C(=O)OC	PC-id_19650895	354.531	CGBVZKKRWXKCBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101773
s1c2c(CCC2)c(c1NC(=S)NC(CCCCC)C)C(=O)OC	PC-id_19650983	354.531	YNTISFAKIPUIOX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101774
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(CSCC1)N(C)C	EMOLS-id_102003702	354.534	YKGOUPWYSQQTLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101775
C=CCOc1ccccc1[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	PC-id_21880925,SCHEMBL2917817	354.581	XBENTWQISWAYLI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-101776
C=CCOc1c(C)cccc1[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	PC-id_21881037,SCHEMBL2914929	354.581	WYOYDPPJAZQYDO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-101777
Brc1cc(C(=O)c2n(c3c(OC(=O)C3)c2)C)ccc1Cl	SCHEMBL7676824,PC-id_9884960	354.583	GUQOKTGCVSPDTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101778
ClC(=C1c2n(C(=O)C1=NOC)/c(=N/C(=O)CCl)/sc2)Cl	PC-id_10338249	354.597	MTWUELQGUAVRMB-YHXNWJDOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101779
Brc1cc(C(=O)Nc2n(nc3c2CCC3)C)c(Cl)cc1	PC-id_45536828	354.63	SGFVGQMAWXXEKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101780
ClC(=O)N1C(c2[nH]nc(Nc3nc(ncc3F)COC)c2C1)(C)C	SCHEMBL3325766,PC-id_59334012	354.767	VBNVVCWXTKYVDL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-101781
C1CC(OC1)C(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960049	354.789	GKYBYMGFKUYNBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101782
CCOC(=O)n1nc2c(c1NC(=O)C1CC1)CN(C2(C)C)C(=O)Cl	SCHEMBL1205814,PC-id_58015703	354.789	HSJMFHIYPLAYBU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-101783
c1(C(=O)Nc2cccc(Cl)c2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-5695127852,EMOLS-id_317424225	354.79	GSCMHGNKQOEPSB-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-101784
c1(C(=O)Nc2cccc(Cl)c2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-3733133016	354.79	GSCMHGNKQOEPSB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-101785
Clc1nc2SCCn2c1CC1=C(C(=O)C(=C(OC)C1=O)OC)C	CoCoCo_5788183,NSC719722,PC-id_403956	354.809	DOWGWHIAYKRQJI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-101786
CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316604501	354.812	USOKBHRLLCPFOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101787
N#Cc1c(NS(=O)(=O)Cc2ccccc2Cl)nc2n1CCS2	MCULE-1091291940,EMOLS-id_76028136,PC-id_121568080,ZINC22_328594109	354.835	QHFRFEDFRUIBEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101788
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(s1)Cl)O	PC-id_119139572	354.858	UENBZMHQJQLCMR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-101789
O=C(N1CC2C(C1)C2NC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_107238522	354.895	PLIIGZQPKNHMSW-UHFFFAOYSA-N	00100010100000000000010010000000000000000000000000000000	25-01-101790
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3Cl)S(=O)O	PC-id_164872114	355.039	OZTCDOYEUBGBKL-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-101791
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C(=O)C(=O)O	PC-id_154663309	355.097	AGMHAOIHFLKKJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101792
CC1=NN2CCN(C2=C1C(=O)OC)CC3=CC=C(C=C3)OC(F)(F)F	PC-id_160069360	355.114	PMRFMCSBLIXGJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101793
Brc1cc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cnc1	SCHEMBL3198598,PC-id_68546731	355.144	FEOUTMFDUBIFSD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101794
CC1(COc2ccc(Br)cn2)Cn2cc(nc2O1)[N+](=O)[O-]	SCHEMBL1229263,EMOLS-id_320368818,PC-id_66957100	355.144	HFGTUNPYXLDNRJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101795
CC1(COc2ccc(Br)nc2)Cn2cc(nc2O1)[N+](=O)[O-]	EMOLS-id_320369074,SCHEMBL1228718,PC-id_87214399	355.144	HACUEYGLGGBIMU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101796
CC(C)C(=O)NC(=N/C=C(/C1=C(OC2=C1CCC2)C(F)(F)F)N=C)C	PC-id_154976822	355.151	KMNMLTGQCLSCPJ-WQLSENKSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101797
n12ncnc1sc(=Cc1ccc(cc1)I)c2=O	MCULE-5613794298	355.154	NXSUJLHWWKCGJJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101798
COc1cnc(c(c1)NC(=O)c1c(Br)nc2n1CCC2)F	EMOLS-id_279014131	355.162	REAJNNXQYZWMLL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101799
C1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CNC4)C(=O)O	PC-id_160769270	355.164	RZCCOFYUOYJHFD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-101800
CCNC(=O)N1CC2=C(C1)NN=C2C(CC(=O)C3=CC=CC=C3)C(=O)N	PC-id_153863782	355.164	RHWDJIKSNQSTBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101801
Brc1cn(C[C@@H]2C[C@@H](c3c2n(nc3)C)CO)c(=O)[nH]c1=O	PC-id_15946737	355.187	DLHRQTRQPSIHFN-JGVFFNPUSA-N	00000010100000100001000010000000000000000000000000000000	25-01-101802
Brc1c(C(=O)Nc2onc3c2CSC3)cc(OC)cc1	PC-id_49719007	355.207	WEAYDWPBJMIHBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101803
Brc1oc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684443	355.207	VMNRUMJDVPVBHB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-101804
c1(NC(=O)c2ccc(Br)o2)sc2c(CCC2)c1C(=O)N	EMOLS-id_177545946,PC-id_1315741,ChEMBL-DNDi_CHEMBL7521273,CoCoCo_939603,ZINC22_1143533,MCULE-4423017745	355.207	RVVVOAPRJPWAAF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-101805
NC(=O)c1c(sc2c1CCC2)NC(=O)c1ccoc1Br	PC-id_106852905	355.207	DIEIKZUTYRUKEG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-101806
Clc1c(OC(C(=O)NCc2n3CCCc3nn2)C)cccc1Cl	PC-id_85509716	355.219	OULZJMRPTMBVLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101807
Clc1c(OCC(=O)N(Cc2n3CCCc3nn2)C)ccc(Cl)c1	PC-id_60360971	355.219	HRPLMUGNYSNZKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101808
Clc1c(O[C@@H](C(=O)NCc2n3CCCc3nn2)C)cccc1Cl	PC-id_39296770	355.219	OULZJMRPTMBVLU-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101809
Clc1c(O[C@H](C(=O)NCc2n3CCCc3nn2)C)cccc1Cl	PC-id_39296771	355.219	OULZJMRPTMBVLU-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-101810
CC1CCc2c1c(CBr)nn2Cc1c(C)cc(F)cc1F	MCULE-6106410235,EMOLS-id_331033350	355.22	MDLVICYPZHWOAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101811
CC1CCc2c1c(CBr)nn2Cc1ccc(F)c(F)c1C	EMOLS-id_331033094,MCULE-4894282139	355.22	ZVZXOXARGZCCKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101812
CC1CCc2c1c(CBr)nn2Cc1cc(F)cc(F)c1C	EMOLS-id_331032838,MCULE-4916106481	355.22	PKBFRYZOMYUWHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101813
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(CBr)c12	EMOLS-id_331016368,MCULE-2998113719	355.22	RSTXKUZEIGFPCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101814
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(CBr)c12	EMOLS-id_331016112,MCULE-4544024733	355.22	XBYPLZAUEOKZAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101815
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(CBr)c12	MCULE-6370562857,EMOLS-id_331015856	355.22	RGFKDOYKBOTTQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101816
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1Br	MCULE-1703103791,EMOLS-id_331017903	355.22	COOXPEFCXKZWEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101817
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331017653,MCULE-6845103302	355.22	MJIHAHFSXCJCMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101818
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016883,MCULE-7591475353	355.22	RRLJOTSYSOPBDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101819
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1CBr	MCULE-1609285051,EMOLS-id_331017139	355.22	NIGDNNUUAZOKIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101820
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1CBr	MCULE-6545972747,EMOLS-id_331017397	355.22	LQGZBQHSTCQESB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101821
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1CBr	MCULE-9188342435,EMOLS-id_331017141	355.22	QGLNAXDCEREVPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101822
COc1cc(F)c(cc1C(=O)c1sc2c(c1)CCC2)Br	PC-id_103394200	355.222	PVGKBPBZISFAMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101823
Brc1cc(CC(=O)Nc2sc3CCCc3n2)ccc1F	PC-id_47295957	355.225	DUWFWCAKHUUSBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101824
[Se]1C(c2c(C1C#N)c(sc2C(=O)OC)C(=O)OC)C#N	PC-id_85366725	355.228	RJWZKROCCPORGZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101825
Clc1cc(C(=O)c2c3CCC(c3sc2C)C(=O)O)ccc1Cl	SCHEMBL10742375,PC-id_13787407	355.236	CJBMTUZIXUBHBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101826
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCC2)c1C(=O)N	EMOLS-id_4032995,PC-id_1017864,TIMTEC86112,CoCoCo_5829144,SPECS-id_AK-968/15609932,MCULE-2661675942,ZINC22_679978	355.239	BTORJHPNHGXIKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101827
c1(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348519,PC-id_84418976,MCULE-4230571114	355.239	GTXHXLXJUMUMOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101828
Clc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)ccc1Cl	PC-id_26872727	355.239	LNDHQXACSYYQJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101829
Clc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)cc(Cl)c1	PC-id_27684448	355.239	UZSWMMIDKOCZKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101830
Clc1c(C(=O)NNC(=O)c2sc3CCCc3c2)cccc1Cl	PC-id_26872767	355.239	PIJHHRFZCWBGSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101831
Clc1c(C(=O)NNC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_26872726	355.239	GCFQGRJZFHDQLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101832
Clc1c(C(=O)NNC(=O)c2sc3CCCc3c2)cc(Cl)cc1	PC-id_27684447	355.239	LUHGTINGMYPNMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101833
NC(=O)c1c2c(CCC2)sc1NC(=O)c1cc(Cl)c(Cl)cc1	SPECS-id_AN-153/I282110,ZINC22_724773,CoCoCo_356249,MCULE-3035765371,PC-id_1048357,EMOLS-id_1487502,BAS-06863079,SPECS-id_AG-670/41728614	355.239	GXOVGGOEPCNORS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101834
NC(=O)c1c2c(CCC2)sc1NC(=O)c1c(Cl)cc(Cl)cc1	MCULE-1789357178,CoCoCo_3218598,EMOLS-id_2898902,PC-id_2303537,ZINC22_3079077	355.239	INAOXDDOJAAYOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101835
NC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)sc2c1CCC2	ZINC22_6861716,PC-id_4503436	355.239	YMRXGMDSYRZDLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101836
CCSc1nnc2n1nc(/c/2=Cc1cc(c(c(c1)Cl)O)Cl)C	PC-id_135794564	355.242	ZPYMEWANJOZPBE-RUDMXATFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101837
CCSc1nnc2n1nc(/c/2=C/c1cc(c(c(c1)Cl)O)Cl)C	PC-id_136034564	355.242	ZPYMEWANJOZPBE-WTKPLQERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101838
CCSc1nnc2n1nc(c2=Cc1cc(c(c(c1)Cl)O)Cl)C	PC-id_136654900	355.242	ZPYMEWANJOZPBE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101839
COCCn1ncc(c1C(=O)c1sc2c(c1)CCC2)Br	PC-id_115806140	355.25	DHJGZAQIFTWHCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101840
Brc1sc(C(=O)NC(c2n3CCCc3nn2)C)cc1C	PC-id_79964194	355.253	QIFUKIZKFUYGPU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-101841
Brc1sc(C(=O)N(Cc2n3CCCc3nn2)C)cc1C	PC-id_79965138	355.253	FEHSOUMLKGIBKS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-101842
Cn1cc(Br)c(C(=O)Nc2nc3c(s2)CCC3(C)C)n1	PC-id_136548449,EMOLS-id_316885407,MCULE-5919853610,ZINC22_581005403	355.253	YGHMEPDFAXRLEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101843
O=C(N(Cc1ccsc1Br)C)Nc1nn2c(c1)CCC2	EMOLS-id_324052569,PC-id_146101971,MCULE-2274314762	355.253	ZCGSCYYTSAHSHR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-101844
Brc1cc(C(NCC)c2sc3CCCc3n2)ccc1F	PC-id_61332021	355.268	NFQMQSHDWBFKNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101845
Brc1cc(C(NCC)c2sc3CCCc3n2)c(F)cc1	PC-id_61332377	355.268	ICNDSXPFPZRIPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101846
Brc1cc(F)c(C(NCC)c2sc3CCCc3n2)cc1	PC-id_61332391	355.268	SBNYSDMKILQJIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101847
Brc1c(F)cc(C(NCC)c2sc3CCCc3n2)cc1	PC-id_81436367	355.268	JLFSAMYARWMLGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101848
CCNC(c1ccc(cc1Br)F)c1sc2c(n1)CCC2	PC-id_108264024	355.268	WAMGZLLTLYSNLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101849
CCNC(c1cc(F)ccc1Br)c1sc2c(n1)CCC2	PC-id_108404420	355.268	BCQBWZLMUWHPEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101850
NNC(c1sc2c(c1)CCC2)Cc1cc(Br)ccc1F	PC-id_105294904	355.268	NKNHGDLIVGOJRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101851
NNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Br)F	PC-id_105290417	355.268	NIRIJKFIWFFZTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101852
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Br)F	PC-id_105296651	355.268	KIQQYKBYPLKNKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101853
NNC(c1sc2c(c1)CCC2)Cc1cccc(c1Br)F	PC-id_105327079	355.268	OJLIAGUXVOZOHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101854
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1F)Br	PC-id_113700710	355.268	TZVUCHIDGNMRQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101855
NNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1Br	PC-id_105297019	355.268	CFUIMOACJWMFBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101856
NNC(c1sc2c(c1)CCC2)Cc1cc(F)cc(c1)Br	PC-id_105324791	355.268	KJDSVCWUVNHZHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101857
Brc1ccc(c(c1)S)C(=O)Nc1sc2c(n1)CCC2	PC-id_107025682	355.273	COYXLTIYWKARNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101858
Sc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Br	PC-id_107025677	355.273	UWIUVGMFSJBNSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101859
c1(NC(=O)C2C(C2(C)C)/C=C(Cl)/Cl)sc2c(CCC2)c1C#N	PC-id_3449957,EMOLS-id_4476304,MCULE-1300077689,STOCK3S-03779	355.282	MZNGXQVHLPRQHJ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-101860
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_1796956,ZINC22_2199600,PC-id_1833396	355.282	MZNGXQVHLPRQHJ-MFKMUULPSA-N	00100010100000000000000010000000000000000000000000000000	25-01-101861
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_1271156,ZINC22_1085578,CoCoCo_1796958	355.282	MZNGXQVHLPRQHJ-GWCFXTLKSA-N	00100010100000000000000010000000000000000000000000000000	25-01-101862
Fc1ccc(c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1228680,PC-id_50913041	355.32	CYOWZVHJZBXWDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101884
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_1085581,CoCoCo_1796959,PC-id_1271158	355.282	MZNGXQVHLPRQHJ-ZWNOBZJWSA-N	00100010100000000000000010000000000000000000000000000000	25-01-101863
CC1(C)[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C=C(Cl)Cl	ZINC22_1085579,CoCoCo_1796957,PC-id_1271157	355.282	MZNGXQVHLPRQHJ-GXFFZTMASA-N	00100010100000000000000010000000000000000000000000000000	25-01-101864
Clc1ccc(CCCNC(=O)C2CCc3ncsc23)c(Cl)c1	PC-id_78318354,BindingDB-id_412904,BindingDB_PC-id_78318354,SCHEMBL15903398	355.282	KIDBFQHKPPYBMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101865
CCc1nn(c(c1Br)CC(c1sc2c(c1)CCC2)O)C	PC-id_115810445	355.293	LWYAZEWKSRDECK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101866
CCn1nc(c(c1CC(c1sc2c(c1)CCC2)O)Br)C	PC-id_115812792	355.293	RHRIKMYQBGEJOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101867
CCCn1ncc(c1C(c1sc2c(c1)CCC2)NN)Br	PC-id_105336620	355.296	GOXZBEKDXIDDNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101868
CCCNC(c1n(C)nnc1Br)c1sc2c(c1)CCC2	PC-id_106465225	355.296	QFBDETMIQYIZAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101869
NNC(c1c(Br)cnn1C(C)C)c1sc2c(c1)CCC2	PC-id_105336977	355.296	KYVNZOSRXYZUMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101870
NNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Br)C	PC-id_105317815	355.296	PNSBRYZOZFFRQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101871
N#Cc1ccc(n2[nH]cnc2=NC(=O)c2cnn3c2CC(F)(F)C3)cc1	ZINC22_2325854129	355.302	OYSZPZBESOOSQF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101872
c12CN(Cc1nn(CC(F)(F)F)c2CO)C(=O)OCc1ccccc1	MCULE-2699236304,EMOLS-id_324346733	355.312	UEXQLCGFOHLKHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101873
COc1ccc(cc1)CN1CCn2c1c(C(=O)OC)c(n2)C(F)(F)F	SCHEMBL18740278	355.312	SWKRDEKRNNMCQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101874
COc1cccc(c1)CN1CCn2c1c(C(=O)OC)c(n2)C(F)(F)F	SCHEMBL18740354	355.312	JWFFLEWOEJYLOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101875
COc1ccc(CN(CC(F)(F)F)C(=O)c2cc3n(n2)CCO3)cc1	EMOLS-id_316740347,ZINC22_643383433,MCULE-5988501393	355.312	KRKLZWBVSBHNKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101876
OCCOc1cccc(c1)CN1CCn2c1c(C=O)c(n2)C(F)(F)F	PC-id_145296864	355.312	QBKROYFROQNRKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101877
FC(F)(F)COc1c(NC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_60448485	355.315	HKRRCQXNHDZQME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101878
O=C(c1cc2n(n1)CCO2)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1	ZINC22_291017673	355.315	IMLSOGDFYBOUFS-SECBINFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101879
O=C(c1cc2n(n1)CCO2)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1	ZINC22_291017674	355.315	IMLSOGDFYBOUFS-VIFPVBQESA-N	00000010100010000001100010000000000000000000000000000000	25-01-101880
O=C(c1nn2c(c1)OCC2)N1CCCC(C1)c1ncc([nH]1)C(F)(F)F	MCULE-2143339261,EMOLS-id_177264407	355.315	IMLSOGDFYBOUFS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-101881
Brc1cc(sc1)C(NC1CC1)c1sc2c(n1)CCC2	PC-id_61346228	355.316	PDIXVGVXKLQGIU-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-101882
Brc1sc(C(NC2CC2)c2sc3c(n2)CCC3)cc1	PC-id_61345639	355.316	KYASJBGFOMKREH-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-101883
O1C(Cn2c1nc([N+](=O)[O-])c2)(COC(=O)NC(C(C)(C)C)C(=O)[O-])C	PC-id_69481278,SCHEMBL5542046	355.323	BKTQCDAEMNEXPR-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-101885
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1C(F)(F)F)F	MCULE-1585144310,EMOLS-id_331018428	355.33	SXDPTGNGUWODFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101886
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(cc1F)C(F)(F)F	MCULE-9454455118,EMOLS-id_331018936	355.33	KOJDXZOELNVJFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101887
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(C(F)(F)F)c1)F	EMOLS-id_331020986,MCULE-3539422848	355.33	MRVNDNORPOPODK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101888
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cccc(C(F)(F)F)c1F	MCULE-2702906170,EMOLS-id_331021498	355.33	RPWGPJHFVIRCPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101889
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)C(F)(F)F	MCULE-2789876334,EMOLS-id_331018680	355.33	HHGQIHQEAUXRGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101890
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(F)cc(c1)C(F)(F)F	EMOLS-id_331021754,MCULE-2033908711	355.33	VXOQEJMDIPJSSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101891
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1cc(F)ccc1C(F)(F)F	MCULE-2190301679,EMOLS-id_331018684	355.33	SZGXAERHDTVTFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101892
c1(C(=O)N)c2C(C)CCc2nn1C(C)c1c(F)ccc(c1)C(F)(F)F	EMOLS-id_331021242,MCULE-1922955949	355.33	NFTCHJQUKICCSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101893
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1C(=O)N	MCULE-7532977447,EMOLS-id_331022267	355.33	VVZCFQOFWCZMJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101894
c1(NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129596,PC-id_28860350,MCULE-8804917459	355.332	NCJRFHAPWVHOCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101895
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(F)c(F)c(F)cc1	PC-id_3951596	355.332	BGZSUGNKYBBCHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101896
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1CCc2c1nn[se]2)C(C)C	PC-id_101925838	355.334	GIYJHIIGUDKVDY-YVECIDJPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101897
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1CCc2c1nn[se]2)C(C)C	PC-id_101925839	355.334	GIYJHIIGUDKVDY-MROQNXINSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101898
[se]1nnc2C(C(=O)OC3C(CCC(C3)C)C(C)C)CCc12	PC-id_74025073	355.334	GIYJHIIGUDKVDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101899
[se]1nnc2C(C(=O)O[C@H]3[C@@H](CC[C@H](C3)C)C(C)C)CCc12	PC-id_23240094	355.334	GIYJHIIGUDKVDY-ZGVCCVRISA-N	00000010100010000001000010000000000000000000000000000000	25-01-101900
CCCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324909067	355.335	PGPXVIKBWFSPLZ-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101901
CC(C)Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324910091	355.335	WKOKBXPPPPRJBE-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101902
n12c(=O)c(=Cc3cccc(OCCC)c3)sc1nc(C(F)(F)F)n2	MCULE-1239925014	355.335	PGPXVIKBWFSPLZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101903
n12c(=O)c(=Cc3cccc(OC(C)C)c3)sc1nc(C(F)(F)F)n2	MCULE-6447254982	355.335	WKOKBXPPPPRJBE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101904
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(nc1)C(F)(F)F	PC-id_43044209	355.335	CHEBUUGDWZLJAD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-101905
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C(=O)CCC(=O)O	PC-id_72700379	355.341	NRVKBMRWRRMSKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101906
O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c([nH]1)CCC2	ZINC22_2325744379	355.345	OGZUCEULROXSID-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-101907
O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c([nH]1)CCC2	ZINC22_2325744380	355.345	OGZUCEULROXSID-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-101908
CCOc1nn2c(n1)c(c(c2=C(C)C)[N+](=O)[O-])C(=O)Nc1ccccc1	PC-id_59449025,SCHEMBL12220564	355.348	AKGJMFPAFHIUMW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101909
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)CCc2occc2)n1	EMOLS-id_8867285,MCULE-7003581344,PC-id_19590899,TIMTEC466762,SCHEMBL1006381	355.355	TWHOPSZDHRLXSK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-101910
C[C@@H](CCc1ccco1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607503,PC-id_29092441	355.355	TWHOPSZDHRLXSK-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-101911
C[C@H](CCc1ccco1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607504,PC-id_29092442	355.355	TWHOPSZDHRLXSK-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-101912
BrC(c1sc2c(CCC2)c1)c1sc(C(C)(C)C)cc1	PC-id_81635612	355.356	AXKWBUWWNYKORT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-101913
c1(cc(nn1CC(C)CNC(=O)c1c2CCCc2[nH]n1)C)C(F)(F)F	PC-id_118763655,MCULE-4645737331,EMOLS-id_68875902	355.358	SGWACEGZOPEAIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101914
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cc(C)n(C(C)C)n2)n1	MCULE-6108940450,PC-id_19591010,EMOLS-id_8867523,ZINC22_20607524	355.358	OWHJGURFIPZMJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101915
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2n(CCC)nc(C)c2)n1	EMOLS-id_8867363,MCULE-5339536197,PC-id_19590935,ZINC22_20607517	355.358	PPKHIYPXOITGHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101916
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)c2nn(CC)cc2)n1	PC-id_19591193,MCULE-7343117447,TIMTEC534035,EMOLS-id_8867924	355.358	WTNKRLMLPVDRKY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101917
Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2n[nH]c3c2CCC3)n1	ZINC22_299772212	355.358	SGWACEGZOPEAIC-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101918
Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2n[nH]c3c2CCC3)n1	ZINC22_299772213	355.358	SGWACEGZOPEAIC-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-101919
Cc1cc(C(=O)NCCc2nnc3n2CCC3)c(C)n1CC(F)(F)F	EMOLS-id_36268762,ZINC22_69370057,MCULE-5652783110,PC-id_53522392	355.358	JLVYTBDWYSYAFO-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-101920
CCC(C(=O)NCCn1cccn1)n1nc(c2CCCc12)C(F)(F)F	PC-id_19590925,MCULE-3681563301,EMOLS-id_8867339	355.358	NBUXYQFYQOFZCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101921
CC[C@@H](C(=O)NCCn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092461,ZINC22_20607548	355.358	NBUXYQFYQOFZCD-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101922
CC[C@H](C(=O)NCCn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092462,ZINC22_20607549	355.358	NBUXYQFYQOFZCD-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101923
O(C(=O)C1(C(Cn2c1ccc2C(=O)c1cc(ccc1)CC)C)C)C(=O)O	PC-id_54313280	355.384	SMJPCODTUAWRQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101964
CCn1ccc([C@@H](C)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	PC-id_29092437,ZINC22_20607494	355.358	WTNKRLMLPVDRKY-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-101924
CCn1ccc([C@H](C)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_20607495,PC-id_29092438	355.358	WTNKRLMLPVDRKY-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-101925
Fc1ccc(Cc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1	EMOLS-id_324835070	355.361	BFXYBWRJPGOIOJ-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101926
Fc1ccc(Cc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324840176	355.361	INJRJYPLUHOZSV-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101927
Fc1ccc(Cc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1	EMOLS-id_324834046	355.361	YXSLIPBHEWYBPT-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101928
Fc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1F	EMOLS-id_324835574	355.361	ZITWOPCNKPDKLA-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101929
Fc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c(F)c1	EMOLS-id_324836086	355.361	UXWJWWFDOIYQJT-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101930
Fc1ccc(F)c(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324833532	355.361	KHOPYJNGSZZIRY-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101931
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)Cc1ccc(F)cc1	MCULE-3196428023	355.361	YXSLIPBHEWYBPT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101932
n12nc(nc1sc(=Cc1ccccc1F)c2=O)Cc1ccc(F)cc1	MCULE-3276158665	355.361	BFXYBWRJPGOIOJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101933
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)Cc1ccc(F)cc1	MCULE-9778716292	355.361	INJRJYPLUHOZSV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101934
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)Cc1ccccc1	MCULE-5979981235	355.361	UXWJWWFDOIYQJT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101935
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)Cc1ccccc1	MCULE-2097930835	355.361	ZITWOPCNKPDKLA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101936
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)Cc1ccccc1	MCULE-8179715703	355.361	KHOPYJNGSZZIRY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-101937
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(COC)o1	PC-id_56753376,MCULE-4719025117,EMOLS-id_36600761,ZINC22_67805692	355.363	CBEMGSYISYHEFU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-101938
Cn1nc2c(c1NC(=O)c1ccc(COc3ccccc3F)o1)CCC2	EMOLS-id_33363769,ZINC22_58417466,MCULE-5279703752,PC-id_51127313	355.363	PHMRWVSACQCLIN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-101939
COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=O)CCC(=O)O	PC-id_112451777	355.363	IGPWJKMZOLKQRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-101940
N(=O)(=O)c1ccccc1CC(=O)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328051235,MCULE-3668627232	355.368	MWTFAOAPDDYPCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101941
c1(cn(nn1)CCN)C(=O)N1Cc2c(n(nc2)Cc2ccc(cc2)F)C1	EMOLS-id_43596743,MCULE-3769294032,PC-id_70773404,ZINC22_77504820	355.37	JJEWFAPAJZPWFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101942
Cc1ccc(C2=NN(/C=c/3sc4ncnn4c3=O)[C@@H](C(=O)O)C2)cc1	ZINC22_256027770	355.371	ATJHWGHNHGDZRA-BFTHVDOESA-N	00000011100000110001100010000000000000000000000000000000	25-01-101943
Cc1ccc(C2=NN(/C=c/3sc4ncnn4c3=O)[C@H](C(=O)O)C2)cc1	ZINC22_256027771	355.371	ATJHWGHNHGDZRA-BPLGCGBFSA-N	00000011100000110001100010000000000000000000000000000000	25-01-101944
Cc1ccc(cc1)C1=NN(/C=c/2sc3ncnn3c2=O)C(C1)C(=O)O	EMOLS-id_190367005,PC-id_117588152	355.371	ATJHWGHNHGDZRA-QPEQYQDCSA-N	00000011100000110001100010000000000000000000000000000000	25-01-101945
n12ncnc1sc(=CN1C(C(=O)O)CC(=N1)c1ccc(cc1)C)c2=O	MCULE-9148943154	355.371	ATJHWGHNHGDZRA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-101946
O=C(Cn1nc(ccc1=O)c1cccnc1)Nc1onc2c1CSC2	PC-id_121052588	355.371	AMDMFFRHVUIRGE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101947
O=C(Cn1nc(ccc1=O)c1ccncc1)Nc1onc2c1CSC2	PC-id_121052828	355.371	ATGKBTSAVXUGRK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-101948
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccccc2SC)n1	ZINC22_869823,MCULE-6885833754,BAS-01939656,TIMTEC471264,EMOLS-id_1359707,CoCoCo_224982,PC-id_1129750	355.378	UBHFBJWXMNDWEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101949
FC(F)(F)c1cc(OC2CN(Cc3nc4CCCc4s3)C2)ccn1	MCULE-9687256219,PC-id_145869130,EMOLS-id_320326561,ZINC22_1776009865	355.378	VIFQXDQLKHOUNP-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-101950
s1c2CN(Cc2nc1C)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_56656207	355.378	VIYUYBVKBPXMLY-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101951
s1c2CN(Cc2nc1C)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_76388666	355.378	VIYUYBVKBPXMLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101952
s1nc2CN(Cc2c1C)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_56656133	355.378	LQFJULSKYHJGIW-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101953
s1nc2CN(Cc2c1C)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_76388649	355.378	LQFJULSKYHJGIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101954
c1(CN2CCOC(C2)C(=O)N2CCC(CC2)(F)F)nnc2CCCn12	MCULE-7776139941,EMOLS-id_337127364	355.383	RJYRSXJAWIGSQB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101955
O=C([C@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCC(F)(F)CC1	ZINC22_2087129911	355.383	RJYRSXJAWIGSQB-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101956
O=C([C@@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCC(F)(F)CC1	ZINC22_2087129912	355.383	RJYRSXJAWIGSQB-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-101957
CCC1(CC)Cn2c(C1(C(=O)O)C(=O)O)ccc2C(=O)c1ccccc1	PC-id_67906529,SCHEMBL9689172	355.384	UJRNVADASSTSRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101958
CCOC(=O)c1cccc(c1)C(=O)c1c(CC)cc2n1CCC2C(=O)O	PC-id_20405054,SCHEMBL11012402	355.384	UINDTBUETIJMFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101959
CCOC(=O)C1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)OCC	SCHEMBL9090541,PC-id_9928574	355.384	CRLSLKUDUMANCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101960
CC(=O)Oc1ccc(C(=O)c2ccc3n2CC[C@H]3C(=O)OC(C)C)cc1	ZINC22_100071051,PC-id_98052000	355.384	XYCBTXAYMLBWIC-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101961
CC(=O)Oc1ccc(C(=O)c2ccc3n2CC[C@@H]3C(=O)OC(C)C)cc1	ZINC22_100071054,PC-id_98052001	355.384	XYCBTXAYMLBWIC-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101962
COC(=O)C1(CCn2c1ccc2C(=O)c1cccc(c1)CC)C(=O)OC	SCHEMBL11064843,PC-id_20454693	355.384	HQFSAISAJCDICF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101963
O(C(=O)C1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)OC)C(C)C	PC-id_10247607	355.384	HOSOWVNWJXVEMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101965
O(C(=O)[C@@]1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)OC)C(C)C	PC-id_29945599	355.384	HOSOWVNWJXVEMX-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101966
O(C(=O)[C@]1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)OC)C(C)C	PC-id_29945603	355.384	HOSOWVNWJXVEMX-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101967
Fc1ccccc1S(=O)(=O)N(c1cn2c(n1)C=CC2)c1ccccc1	SCHEMBL17767560,PC-id_121350075	355.386	QAUYGNKPVYZNKW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-101968
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C#Cc1ccccc1	PC-id_139746947	355.386	WHAGWHHJLVCBMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101969
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](C(=O)O)C1)c1ccccc1OC	MCULE-3491021085,PC-id_70734506,EMOLS-id_44715746,ZINC22_91585899	355.388	CUEOMJIQNUJHHA-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101970
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](C(=O)O)C1)c1cccc(OC)c1	ZINC22_91746600,MCULE-4484120491,EMOLS-id_44730546,PC-id_70757921	355.388	XEIQFKTWVFEANE-LSDHHAIUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101971
COc1ccccc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C(=O)O	ZINC22_212676948	355.388	CUEOMJIQNUJHHA-KGLIPLIRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101972
COc1cccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]2C(=O)O)c1	ZINC22_216459492	355.388	XEIQFKTWVFEANE-CABCVRRESA-N	00000010100000110001100010000000000000000000000000000000	25-01-101973
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC(=O)NCC(=O)O	EMOLS-id_328215157,MCULE-2368776661	355.388	PBRKTKIMNJHYER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101974
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N[C@H](C(=O)O)CC(=O)N	MCULE-1228642852,EMOLS-id_328212601	355.388	PSASKBNGGIHOKO-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101975
OC(=O)C1C(CN(C1)C(=O)c1n[nH]c2c1CCC2)c1cc(OC)ccc1	PC-id_78082832	355.388	XEIQFKTWVFEANE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101976
OC(=O)C1C(CN(C1)C(=O)c1n[nH]c2c1CCC2)c1c(OC)cccc1	PC-id_77849176	355.388	CUEOMJIQNUJHHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101977
s1c2CCCc2c(c1N=Cc1cc(OC)c(OCC(=O)[O-])cc1)C#N	PC-id_1823275	355.388	XBGCOKHJNUDFNA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-101978
CCCNC(=O)NC1=N[N+](c2c1sc(c2)C(=O)OC)(CC)C(=O)O	PC-id_90704870	355.389	QRGGRZKHUMQLAH-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-101979
n12CCC(C(=O)Nc3ccccc3C#N)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548282,MCULE-6956176163,PC-id_46861292	355.389	SLSIQWVGWZJBLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101980
n12CCC(C(=O)Nc3cccc(c3)C#N)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548284,MCULE-9241992084,PC-id_46861293	355.389	XVEKMEAMNJNOQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101981
n12CCC(C(=O)Nc3ccc(cc3)C#N)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548286,MCULE-5541206286,PC-id_46861294	355.389	WEJQKFKYEOGSPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101982
N#Cc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364483,PC-id_52340434	355.389	SLSIQWVGWZJBLL-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101983
N#Cc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364484,PC-id_52340435	355.389	SLSIQWVGWZJBLL-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101984
N#Cc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364485,PC-id_52340436	355.389	XVEKMEAMNJNOQQ-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101985
N#Cc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364486,PC-id_52340437	355.389	XVEKMEAMNJNOQQ-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101986
N#Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340438,ZINC22_51364487	355.389	WEJQKFKYEOGSPU-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101987
N#Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340439,ZINC22_51364488	355.389	WEJQKFKYEOGSPU-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-101988
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1ccc(nc1)OC	EMOLS-id_168604190,MCULE-8610106768	355.391	NYKGSJGVGQEAKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-101989
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1ccc(nc1)C	MCULE-6143904918,EMOLS-id_207863040	355.391	KXYWCVRXHCWFHL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101990
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1ccnc(C)c1	MCULE-1375616297,EMOLS-id_207863355	355.391	SGEYUIRXHCFHLW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101991
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@H]([C@H](O)C1)NC(=O)c1cccnc1	PC-id_70757619,EMOLS-id_43586947,ZINC22_77455172,MCULE-5706635801	355.391	MKXXMAMYBBJQLE-HUUCEWRRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-101992
c1(c2ccco2)noc(CCCC(=O)N(C)Cc2[nH]nc3CCCc23)n1	ZINC22_67458237,MCULE-9653916145,PC-id_50949898,EMOLS-id_32371394	355.391	RXSQVGAVWYNHMP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-101993
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)CCC(=O)c1ccccc1	SCHEMBL2924419,PC-id_68442818	355.391	WRHXIXYOICSGBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101994
CCOC(=O)C=Cc1ccc(cc1)NC(=O)NCc1nnc2n1CCC2	PC-id_72051446,EMOLS-id_31975824,MCULE-7360492211	355.391	IZMQBXJGDZPVCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101995
CCOC(=O)/C=Cc1ccc(cc1)NC(=O)NCc1nnc2n1CCC2	PC-id_97540716	355.391	IZMQBXJGDZPVCB-YFHOEESVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101996
CCOC(=O)/C=C/c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	PC-id_51116468,ZINC22_48066058	355.391	IZMQBXJGDZPVCB-JXMROGBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-101997
CN1CCCN(CC1)C(=O)c1nc2CN(Cc2o1)C(=O)c1cccnc1	PC-id_97442834,CHEMBL3551786,ZINC22_96147310,EMOLS-id_44304404	355.391	OAKAEQDIMMEDCP-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-101998
CN(Cc1n[nH]c2c1CCC2)C(=O)Nc1ccccc1N1CCOC1=O	ZINC22_299756916,EMOLS-id_68886519,PC-id_118768492,MCULE-2336131913	355.391	IQKASMNWYGQAEO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-101999
COc1cc(C(=O)N2Cc3c(Cn4cccc4)nn(C(C)C)c3C2)on1	EMOLS-id_313733330,ZINC22_2055718003	355.391	SYIKGUWTAVKFLE-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-102000
O1C2(Oc3c1cc(NC(=O)NCc1n4CCCc4nn1)cc3)CCCC2	PC-id_60448767	355.391	BVQFAWLRQHXNHE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102001
OC1C(NC(=O)c2cccnc2)CCN(C1)C(=O)c1n[nH]c2c1CCC2	PC-id_78082742	355.391	MKXXMAMYBBJQLE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102002
O=C(NCCN1CCCC1)c1nc2c(o1)CN(C(=O)c1cccnc1)C2	PC-id_97442828,ZINC22_96147304,CHEMBL3551784	355.391	MWDQPRIGNFYGEU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102003
O=C(N[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1O)c1cccnc1	ZINC22_216448281	355.391	MKXXMAMYBBJQLE-GJZGRUSLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102004
C1Cc2c(c(c(n2C1)C(=O)Nc1ccccc1)N=Cc1cnccc1)C#N	BindingDB_PC-id_137652097,PC-id_137652097	355.393	YIIHMGNSGVYAOP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-102005
[O-][N+](=O)c1c(Nc2ccc(cc2)NS(=O)(=O)C)nc2n1CCS2	PC-id_101656587	355.393	LAZDXDDZOATYOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102006
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)C1C(=O)N(C(=O)[N+](=C1)C)C	PC-id_73282921	355.393	GTHXAIZQJIDWMW-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-102007
C1CCN(C1)C(=O)C1CCc2nnc(n12)CNC(=O)Nc1cnccc1	PC-id_134789943	355.394	SWLXQADNCJAEQL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102008
c1(sc2c(CCC2)c1C(=O)OC)NS(=O)(=O)c1ccc(cc1)F	EMOLS-id_4033249,TIMTEC397122,ZINC22_2734224,MCULE-2656574606,PC-id_5209353,CoCoCo_5814902	355.404	QCSVMBKFHOOHIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102009
c1(C(=O)OC)c2C(CCc2sc1NC(=O)OCCCC)C(=O)OC	PC-id_2790146,ChEMBL-DNDi_CHEMBL3931-1384,EMOLS-id_1863151,STOCK2S-58823,MCULE-3566814892	355.406	RTQFJBFZWJFUDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102010
CCCCOC(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2	PC-id_7082072,CoCoCo_817766,ZINC22_4040515	355.406	RTQFJBFZWJFUDV-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102011
CCCCOC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](C(=O)OC)CC2	PC-id_7082074,ZINC22_4040512,CoCoCo_817765	355.406	RTQFJBFZWJFUDV-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-102012
s1c2c(CCC2)c(c1NC(=O)CCC(=O)OCCOC)C(=O)OC	PC-id_17339063	355.406	FZYUWRIJYJDZRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102013
s1c2c(CCC2)c(c1NC(=O)COC(=O)COCC)C(=O)OCC	PC-id_8014502	355.406	ULGKPPJQPJILGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102014
CO/N=C
/c2sccc2[C@@H](NC(=O)CNC(=O)OC(C)(C)C)[C@H]1O	CoCoCo_5749145,ZINC22_104315602,PC-id_92341302	355.409	PIKJXCUVKRYVNV-RNQWFFBSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102015
CO/N=C/1c2sccc2[C@H](NC(=O)CNC(=O)OC(C)(C)C)[C@H]1O	CoCoCo_5749148,PC-id_92341303,ZINC22_32068626	355.409	PIKJXCUVKRYVNV-USSPLFOTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102016
CO/N=C
/c2sccc2[C@H](NC(=O)CNC(=O)OC(C)(C)C)[C@H]1O	CoCoCo_5749149,ZINC22_8665759,PC-id_92859184	355.409	PIKJXCUVKRYVNV-SVTMPPRFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102017
CO/N=C/1c2sccc2[C@@H](NC(=O)CNC(=O)OC(C)(C)C)[C@H]1O	PC-id_98562516,CoCoCo_5749144,ZINC22_8665758	355.409	PIKJXCUVKRYVNV-ORZJQGLMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102018
CO/N=C/1[C@@H](O)[C@H](c2c1scc2)NC(=O)CNC(=O)OC(C)(C)C	CoCoCo_5749143,NSC681956	355.409	PIKJXCUVKRYVNV-KVMIPUSJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102019
CO/N=C
/[C@@H](O)[C@@H](c2c1scc2)NC(=O)CNC(=O)OC(C)(C)C	CoCoCo_5749146	355.409	PIKJXCUVKRYVNV-WHCNMASBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102020
CO/N=C/1[C@@H](O)[C@@H](c2c1scc2)NC(=O)CNC(=O)OC(C)(C)C	CoCoCo_5749147	355.409	PIKJXCUVKRYVNV-WBTZEVAHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102021
CO/N=C
/[C@@H](O)[C@H](c2c1scc2)NC(=O)CNC(=O)OC(C)(C)C	CoCoCo_5749150	355.409	PIKJXCUVKRYVNV-WOCIFCBESA-N	00000010100000000000000010000000000000000000000000000000	25-01-102022
Fc1ccccc1/C=c/1sc2nc(/C=C/c3cccs3)nn2c1=O	ZINC22_27021999,EMOLS-id_45970272	355.409	XMOMOUOAACZOPQ-FAGQLRNJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102023
Fc1cccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)c1	EMOLS-id_45970324,ZINC22_27022123	355.409	VZDILUVYESLPGD-FKEISFMISA-N	00000000100100110001000010000000000000000000000000000000	25-01-102024
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)C=Cc1cccs1	MCULE-2612721657	355.409	YESUILNVBSSCCQ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102025
n12nc(nc1sc(=Cc1ccccc1F)c2=O)C=Cc1cccs1	MCULE-5214728804	355.409	XMOMOUOAACZOPQ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102026
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)C=Cc1cccs1	MCULE-6130594839	355.409	VZDILUVYESLPGD-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102027
n12nc(nc1sc(=Cc1cccs1)c2=O)C=Cc1ccc(cc1)F	MCULE-4589333362	355.409	OJJCFHNTDIZGDC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102028
s1c2c([C@H](NC(=O)CNC(=O)OC(C)(C)C)[C@H](O)C2=NOC)cc1	PC-id_387823	355.409	PIKJXCUVKRYVNV-JQWIXIFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102029
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)C(O)C2=NOC)cc1	PC-id_496202	355.409	PIKJXCUVKRYVNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102030
s1c2c(C(NC(=O)CNC(=O)OC(C)(C)C)C(O)/C/2=N/OC)cc1	PC-id_5907908	355.409	PIKJXCUVKRYVNV-WQRHYEAKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102031
c1(NC(=O)COc2cccc(c2)NC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_323179025,MCULE-5962853872	355.411	LAGRQUPPLHUAKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102032
c1(NC(=O)COc2ccc(cc2)NC(=O)C)sc2c(CCC2)c1C#N	MCULE-9109775828,EMOLS-id_323178436	355.411	XIBQSWFMWRUBEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102033
N#Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2	ZINC22_69610406	355.411	FSFJGJVLISXJBT-LLVKDONJSA-N	00000010101000000000000010000000000000000000000000000000	25-01-102034
N#Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2	ZINC22_69610410	355.411	FSFJGJVLISXJBT-NSHDSACASA-N	00000010101000000000000010000000000000000000000000000000	25-01-102035
NC(=O)NC(=O)c1c(NC(=O)C=Cc2ccccc2)sc2c1CCC2	PC-id_92046510	355.411	CZIZMCRTDDYLFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102036
O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc2c(s1)CCC2	MCULE-1943931748,CoCoCo_4829937,EMOLS-id_29587928,PC-id_45879833,ZINC22_36398411	355.411	FEHNXCCZLJIHBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102037
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OCC#N)cc1	PC-id_85015608	355.411	HPHRTENFXCRQHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102038
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C#N)C(=O)OC	PC-id_24406451	355.411	LVKRTWDLQSSYQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102039
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(N)c(ccc1)C)C#N	PC-id_8403321	355.411	CYLUBSJDTHFHPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102040
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(NC)cccc1)C#N	PC-id_7953569	355.411	JLJLCVHPYDEUBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102041
s1c2CCCc2nc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1	PC-id_33040140	355.411	NTSDGRWELDTHOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102042
c12SCCn1cc(CNC(=O)c1cc([nH]n1)COc1ccccc1)n2	ZINC22_12443469,PC-id_45594675,EMOLS-id_29557004,MCULE-1003914498	355.414	YWMSTNAGUXXVIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102043
c12SCCn1cc(CNC(=O)CCc1onc(c3ccccc3)n1)n2	MCULE-4888170460,PC-id_70762185,EMOLS-id_43589885,ZINC22_77470322	355.414	KRTVAGAFNPZBHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102044
CCOc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)OC(C)C	PC-id_20351621,SCHEMBL11601687	355.427	XXGIIQHJXCDAIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102064
c1(c[nH]nc1c1cccc(OC)c1)C(=O)NCc1cn2c(SCC2)n1	PC-id_70769238,MCULE-7331959563,EMOLS-id_44737626,ZINC22_91876916	355.414	UIKZUJXZNZUQOV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102045
c1(C(=O)Nc2nnc(Cc3ccc(cc3)OC)s2)c2CCCc2[nH]n1	EMOLS-id_323258288,MCULE-5426379830	355.414	BPAIMRRZIGYVAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102046
c1(C(=O)NCc2cn3c(SCC3)n2)[nH]nc(c2ccccc2OC)c1	PC-id_50975045,ZINC22_67843489,EMOLS-id_32419012,MCULE-7063765070	355.414	RIVFZALWMNQXMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102047
CC1NC(=NN(C1=O)c1ccccc1)C(=O)Nc1sc2c(n1)CCC2	PC-id_47065430,MCULE-5407855007,EMOLS-id_32058998	355.414	FCJNUABFKZWKMB-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-102048
C[C@H]1NC(=NN(c2ccccc2)C1=O)C(=O)Nc1nc2c(s1)CCC2	PC-id_52412526,ZINC22_56218514	355.414	FCJNUABFKZWKMB-SNVBAGLBSA-N	00000010100011110001100010000000000000000000000000000000	25-01-102049
C[C@@H]1NC(=NN(c2ccccc2)C1=O)C(=O)Nc1nc2c(s1)CCC2	PC-id_52412527,ZINC22_56218515	355.414	FCJNUABFKZWKMB-JTQLQIEISA-N	00000010100011110001100010000000000000000000000000000000	25-01-102050
COc1ccc(c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1	MCULE-7567197282,EMOLS-id_30683342,PC-id_47016901,ZINC22_48288869	355.414	CUBSBUHKCXJBGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102051
COc1ccccc1n1cc(cn1)C(=O)NCc1cn2CCSc2n1	EMOLS-id_44701845,MCULE-5749881655,PC-id_70712092,ZINC22_91289013	355.414	QBTXIVGLBUWFDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102052
N#Cc1c(NC(=O)c2ccc(cc2)N2CCOCC2)nc2n1CCS2	EMOLS-id_98900458	355.414	AXZIJEQADLFADR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102053
NC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4745510,PC-id_37833273,ZINC22_30692131	355.414	VMCBRXJZMOWKBI-ZDUSSCGKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-102054
NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)Nc1nc2c(s1)CCC2	PC-id_37833280,ZINC22_30692137,CoCoCo_4745511	355.414	VMCBRXJZMOWKBI-CYBMUJFWSA-N	00000011100000110001100010000000000000000000000000000000	25-01-102055
O=C(C1=NN(C(C1)C(=O)N)c1ccccc1)Nc1sc2c(n1)CCC2	MCULE-6827042277,PC-id_42950328,EMOLS-id_27399314	355.414	VMCBRXJZMOWKBI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-102056
S1c2n(CC1)c(c(n2)C)/C=N/N1CCN(C1=O)C(=O)c1ccccc1	PC-id_24850844	355.414	UDNGVRXVDJMWPK-WOJGMQOQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102057
S1c2n(CC1)c(c(n2)C)C=NN1CCN(C1=O)C(=O)c1ccccc1	PC-id_74332749	355.414	UDNGVRXVDJMWPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102058
c1(C(=O)NCc2nnc3CCCn23)c(CC)nc(c2ncccn2)s1	EMOLS-id_324184089,ZINC22_1857696759,MCULE-3242149666,PC-id_154568834	355.417	BKFSIXLXGIETNZ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102059
c1(NC(=O)C(Cc2ccccc2)n2cnnn2)n(C)nc2CSCc12	MCULE-4561254180	355.417	BBLMQSXAVDEIDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102060
c1(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)n(C)nc2CSCc12	ZINC22_524734671,MCULE-3323815789,EMOLS-id_104691350,STOCK7S-62431	355.417	BBLMQSXAVDEIDE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102061
Cc1ncc(s1)c1ccc(N)c(NC(=O)N2Cc3cn(C)nc3C2)n1	SCHEMBL20392517,PC-id_135234241,BindingDB-id_961270	355.417	YQPXTBYQPWQDNB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-102062
O=C(NCCc1nnc2n1CCC2)Nc1nc(c2cccnc2)cs1	EMOLS-id_42915944,PC-id_72113719,MCULE-4360121891,ZINC22_72306213	355.417	QMGYVBNMIBMXGJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-102063
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)OC(C)C)C	PC-id_13486985,SCHEMBL11603637	355.427	ZKJAVAFDPMEUMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102065
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1occ2c1CCC2	ZINC22_671676825	355.427	VIDNHTDQGIEAOQ-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102066
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1occ2c1CCC2	ZINC22_671676826	355.427	VIDNHTDQGIEAOQ-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102067
COc1ccccc1CN(C(=O)c1occ2c1CCC2)CC1CCCO1	EMOLS-id_320316927,MCULE-3226258739,PC-id_138997183	355.427	VIDNHTDQGIEAOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102068
OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)OC(C)(C)C	PC-id_118604646,SCHEMBL17369550	355.427	PKFDVAFTZGZVBH-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102069
Cc1nccn1c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1F	PC-id_71885786,ZINC22_84291036,EMOLS-id_44549586,MCULE-4379545994	355.429	WHXBWFGGANPDCH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102070
CC(=O)c1cc(cs1)CN1Cc2c(C1)n(nc2)Cc1ccc(cc1)F	PC-id_135116425	355.429	TUDNDHATQAORNB-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-102071
Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1F	CoCoCo_4341425,PC-id_31817725,ZINC22_24440691	355.429	MECJTVUOZROJPG-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102072
Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1F	PC-id_31817727,CoCoCo_4341424,ZINC22_24440694	355.429	MECJTVUOZROJPG-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102073
O=C(c1sc2c(c1)CCC2)NC(c1nccn1C)c1ccccc1F	MCULE-8432601207,EMOLS-id_29653163,PC-id_45859886	355.429	MECJTVUOZROJPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102074
s1c2CCCc2nc1NC(=O)c1c(n(c(c1)C)c1c(F)cccc1)C	PC-id_52708805	355.429	OYSRCORPEFWLGF-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-102075
c12CN(Cc1nn(CC1CCCC1)c2CO)C(=O)OCc1ccccc1	MCULE-6671107750,EMOLS-id_324349548	355.431	NQNWWCLKCMEIKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102076
c12CN(Cc1nn(CC1CCCCC1)c2O)C(=O)OCc1ccccc1	MCULE-2737314784,EMOLS-id_324341610	355.431	PDAJLQVGXNHPGQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102077
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(COc2cccc(OC)c2)C1	EMOLS-id_43145318,MCULE-7855263231,PC-id_70758753	355.431	CAZOGPBQUDBVAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102078
c1(C(=O)N2CCC(O)(COc3ccccc3C)C2)c2CCCc2n(C)n1	LAS-52260235,MCULE-6253892462,EMOLS-id_171924935	355.431	YFIMRPFSUOBMGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102079
c1(C(=O)NCc2ccc(cc2)C(=O)OCCCC)c2CCCc2n(C)n1	EMOLS-id_320482063,MCULE-8292710103,PC-id_84466424	355.431	SISUMMFIJXQKQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102080
c1(C(=O)NCCc2ccc(cc2)C(=O)OC(C)C)c2CCCc2n(C)n1	MCULE-9980138132,PC-id_84466191,EMOLS-id_320480782	355.431	FFPNUVNSOHZKOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102081
CC1CCCC(C1)OCc1cccc(c1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99560802	355.431	ZKFJLBZGJSOKQF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102082
Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2nn(C)c3c2CCC3)C1	ZINC22_585277824	355.431	YFIMRPFSUOBMGO-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102083
Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2nn(C)c3c2CCC3)C1	ZINC22_585277825	355.431	YFIMRPFSUOBMGO-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102084
CC1(C)CN(C(=O)c2cc3n(n2)CCC3)C[C@@H](COc2ccccc2)O1	ZINC22_297165060	355.431	SDDKCRINODYJJE-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102085
CC1(C)CN(C(=O)c2cc3n(n2)CCC3)C[C@H](COc2ccccc2)O1	ZINC22_297165074	355.431	SDDKCRINODYJJE-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102086
CCOc1ccc(cc1C)C(=O)CCC(=O)NCc1n[nH]c2CCCc12	ZINC22_67946280,MCULE-9324329005,EMOLS-id_31624293,PC-id_46998193	355.431	PAZUKHRGLPPESP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102087
COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318264146	355.431	MFIZJRDMBJWHRH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102088
COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_318078260	355.431	PJHZRMMTPPSPBK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102089
COc1ccc(cc1)C1(CCOCC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318094141	355.431	JFUADKZQUDGUDC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102090
COc1cc(ccc1OC1CCCC1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98809897	355.431	XTUDHFLYBJTWJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102091
COc1cccc(OC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	ZINC22_72454564,PC-id_95882993	355.431	CAZOGPBQUDBVAH-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102092
COc1cccc(OC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	ZINC22_72454565,PC-id_95882994	355.431	CAZOGPBQUDBVAH-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102093
O=C1CCC(CC1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109528	355.431	GHBVAGSFRMNGIX-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-102094
O=C(c1nn2c(c1)CCC2)N1CC(COc2ccccc2)OC(C1)(C)C	MCULE-5731330524,EMOLS-id_316157483	355.431	SDDKCRINODYJJE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102095
Cc1cc(c(c(c1)S(=O)(=O)C)C)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_320206008,MCULE-3857136997	355.432	VSMXINJDHGGEPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102096
Cn1ncc2c1CN(C2)S(=O)(=O)c1cc(ccc1C)S(=O)(=O)C	EMOLS-id_316654638	355.432	XMAZTSQMMUAOMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102097
COC(=O)c1c(NS(=O)(=O)c2cnn(C)c2C)sc2CCCc12	PC-id_19583768,EMOLS-id_8859898,MCULE-9881736380	355.432	ZOGAJQFLDCMMJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102098
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)c1cccs1)OC(C)(C)C	PC-id_141764693	355.432	YZCIKWNCZQPSOB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-102099
c1(CN(C)C(=O)C(c2cccnc2)N2CCOCC2)c2CCCc2[nH]n1	PC-id_72927709,MCULE-3379630176,EMOLS-id_48442448	355.434	OURZDWOHRNZYJI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102100
c1(C(=O)N2CCN(CC2)CCC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-6126911846,EMOLS-id_316327729	355.434	UJRRLOVSBSIIDG-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102101
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)NCC(C)C)C2)n1	EMOLS-id_316330291,MCULE-7604416783	355.434	PERBPMPDAAIXKP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102102
c1(C(=O)NCCN2CCCCC2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316325689,MCULE-6778561321	355.434	DAKOWSIREWFKPA-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102103
CC1CC1c1ccc(o1)CN(C(=O)NCc1nnc2n1CCC2)C1CC1	EMOLS-id_36637907,MCULE-5542539190,PC-id_53531053	355.434	GLMNEYRVBDCDSU-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-102104
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ncccn1	PC-id_111205816	355.441	STMQWIHUWXHNLF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102166
Cc1ccccc1[C@H]1CN(C(=O)NCc2nnc3n2CCC3)[C@H](C)CO1	PC-id_97218304,ZINC22_95403612	355.434	YHBBSOLSPGMXJP-GDBMZVCRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102105
Cc1ccccc1[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)[C@@H](C)CO1	PC-id_97218305,ZINC22_95403613	355.434	YHBBSOLSPGMXJP-HOCLYGCPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102106
Cc1ccccc1[C@H]1CN(C(=O)NCc2nnc3n2CCC3)[C@@H](C)CO1	PC-id_97218306,ZINC22_95403614	355.434	YHBBSOLSPGMXJP-GOEBONIOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102107
Cc1ccccc1[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)[C@H](C)CO1	ZINC22_95403611,PC-id_97218303	355.434	YHBBSOLSPGMXJP-ZBFHGGJFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102108
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1	ZINC22_22191072,PC-id_30093791	355.434	XJVOEJXZHBHENG-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102109
Cc1ccc(C(=O)N[C@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1	ZINC22_22191075,PC-id_30093794	355.434	XJVOEJXZHBHENG-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102110
Cc1ccc(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1	EMOLS-id_324866059	355.434	OIPPDSVDROXXIY-ZSOIEALJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102111
Cc1ccc(O)c(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324834545	355.434	YJEZYXKWZANBQV-ZSOIEALJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102112
Cc1ccnc(c1)OC1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420376	355.434	MTOYTFDRABYDJB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102113
CC1COC(CN1C(=O)NCc1nnc2n1CCC2)c1ccccc1C	MCULE-4172188317,EMOLS-id_48243573,PC-id_75422846	355.434	YHBBSOLSPGMXJP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102114
Cc1ncccc1OC1(CCNCC1)C(=O)NCc1n[nH]c2CCCc12	ZINC22_77408134,PC-id_70744447,MCULE-9443471089,EMOLS-id_43578781	355.434	YPFVZYQYRCMPHY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102115
CC1OC(C)CN(C1)c1ccnc(c1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_101171712	355.434	ILYKSBFQNPLOSH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-102116
CC(C(C(=O)NCc1nnc2n1CCC2)NC(=O)c1ccc(cc1)C)C	PC-id_47018209,EMOLS-id_31371059,MCULE-1783560945	355.434	XJVOEJXZHBHENG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102117
CC(C)N1CCN(c2cccc(NC(=O)c3cc4n(n3)CCO4)c2)CC1	EMOLS-id_316801769,PC-id_145877455,ZINC22_580924313,MCULE-8180395237	355.434	ZFCQLJGBCPHMCG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102118
CCCN1CCN(CC1)C(=O)c1nn2c(c1)CC(C2)Oc1ccncc1	MCULE-7827720875	355.434	UJRRLOVSBSIIDG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102119
CC(CNC(=O)NC1Cn2c(C1)cc(n2)C(=O)NCc1ccccc1)C	MCULE-3500345913	355.434	PERBPMPDAAIXKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102120
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2nnc3n2CCC3)C2CC2)o1	PC-id_52651126,ZINC22_59292059	355.434	GLMNEYRVBDCDSU-WFASDCNBSA-N	00100010101000000001100010000000000000000000000000000000	25-01-102121
C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCc2nnc3n2CCC3)C2CC2)o1	PC-id_52651128,ZINC22_59292063	355.434	GLMNEYRVBDCDSU-SWLSCSKDSA-N	00100010101000000001100010000000000000000000000000000000	25-01-102122
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2nnc3n2CCC3)C2CC2)o1	ZINC22_59292058,PC-id_52651125	355.434	GLMNEYRVBDCDSU-DOMZBBRYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-102123
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NCc2nnc3n2CCC3)C2CC2)o1	ZINC22_59292061,PC-id_52651127	355.434	GLMNEYRVBDCDSU-IUODEOHRSA-N	00100010101000000001100010000000000000000000000000000000	25-01-102124
CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_177264458,ZINC22_290295305,MCULE-8935437101	355.434	HVJOEPVHSMNSPJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-102125
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cccc(=O)n1C)C2	ZINC22_1565548162,EMOLS-id_313736658	355.434	YSYXVADVAUHWPH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102126
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cccn(C)c1=O)C2	ZINC22_1565545869,EMOLS-id_313736402	355.434	MZWQNXUDAJENIE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102127
CN(Cc1cccnc1)CC1CCCN(C1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_316841953,PC-id_145877533	355.434	DFARFHTUDANDOA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102128
CN(Cc1n[nH]c2c1CCC2)C(=O)[C@@H](c1cccnc1)N1CCOCC1	PC-id_97284356,ZINC22_95527555	355.434	OURZDWOHRNZYJI-GOSISDBHSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102129
CN(Cc1n[nH]c2c1CCC2)C(=O)[C@H](c1cccnc1)N1CCOCC1	PC-id_97284357,ZINC22_95527556	355.434	OURZDWOHRNZYJI-SFHVURJKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102130
CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1C	ZINC22_365433231	355.434	QDFCXIFTRQWMPH-HNNXBMFYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-102131
CNC(=O)c1ccc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1C	ZINC22_365433232	355.434	QDFCXIFTRQWMPH-OAHLLOKOSA-N	00000010110010000001100010000000000000000000000000000000	25-01-102132
CNC(=O)c1ccc(n1C)C1CCCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-3833883974,EMOLS-id_316135705	355.434	QDFCXIFTRQWMPH-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-102133
COc1ccccc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324830460	355.434	MDFUSODOXXVUIZ-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102134
COc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324833018	355.434	YCVSSZFPKLSQCC-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102135
COc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324831484	355.434	FCZVMQOEMWPRNC-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102136
COc1cnccc1C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	ZINC22_1565546357,EMOLS-id_313736914	355.434	YWDJUAYHIMMTCZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102137
n12CCCc1nnc2CNC(=O)CC1CN(CCO1)Cc1ccccc1	PC-id_118766423,MCULE-2250885188,EMOLS-id_68882043	355.434	IHUUFVCJMLADHU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102138
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)Cc1cccs1	MCULE-1559064710	355.434	MDFUSODOXXVUIZ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102139
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)Cc1cccs1	MCULE-4837645768	355.434	YJEZYXKWZANBQV-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102140
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)Cc1cccs1	MCULE-4201393029	355.434	FCZVMQOEMWPRNC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102141
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)Cc1cccs1	MCULE-4323429687	355.434	YCVSSZFPKLSQCC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102142
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCOc1ccccc1	MCULE-3090184151	355.434	USPBFMIZLAZOEU-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102143
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1ccc(cc1)C	MCULE-2479438001	355.434	OIPPDSVDROXXIY-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102144
n1c(CNC(=O)N2CCCC(C2)OCc2ccccn2)c2c(CCC2)[nH]1	MCULE-6913279077,EMOLS-id_177431313,PC-id_121503570	355.434	JCZZBNMWCCHTSO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102145
O=c1n2nc(CCOc3ccccc3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324851954	355.434	USPBFMIZLAZOEU-UVTDQMKNSA-N	00000000100100110001000010000000000000000000000000000000	25-01-102146
O=C(c1cccc(c1)CNC1CC(n2c1ncn2)C)NCC1CCCO1	EMOLS-id_279082235	355.434	CMTQZZWJYZVBIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102147
O=C(c1nn2c(c1)CC(C2)Oc1cccnc1)NCCN1CCCCC1	MCULE-1575754487	355.434	DAKOWSIREWFKPA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102148
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1nnc2n1CCC2	ZINC22_266552129	355.434	IHUUFVCJMLADHU-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102149
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1nnc2n1CCC2	ZINC22_266552130	355.434	IHUUFVCJMLADHU-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102150
O=C(N1C(CCC1)c1ccc(OCC)cc1)NCc1n2CCCc2nn1	PC-id_75807305	355.434	SOTQKSMRTHVRSX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102151
O=C(N1[C@@H](CCC1)c1ccc(OCC)cc1)NCc1n2CCCc2nn1	PC-id_52216077	355.434	SOTQKSMRTHVRSX-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102152
O=C(N1[C@H](CCC1)c1ccc(OCC)cc1)NCc1n2CCCc2nn1	PC-id_52216078	355.434	SOTQKSMRTHVRSX-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102153
O=C(NC1CC(C1)NC(c1nnc2n1CCC2)C)OCc1ccccc1	PC-id_103393166	355.434	UNIVAZKXWGJNFG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-102154
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(=O)n(n1)C	PC-id_92109698	355.434	NHPYKJJPEBORMO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102155
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cn1ncccc1=O	PC-id_92109904	355.434	HTYOPXLBIGAMOC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102156
O=C(NCc1n[nH]c2c1CCC2)N1CCC[C@H](OCc2ccccn2)C1	ZINC22_426510060	355.434	JCZZBNMWCCHTSO-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102157
O=C(NCc1n[nH]c2c1CCC2)N1CCC[C@@H](OCc2ccccn2)C1	ZINC22_426510061	355.434	JCZZBNMWCCHTSO-OAHLLOKOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102158
Cc1nc(N(C)C)sc1S(=O)(=O)NC(=O)c1cnn2c1CCC2	EMOLS-id_316683931,ZINC22_893057084	355.436	HHWXNWPDUWGUPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102159
c1(ncc(c(C)n1)C(=O)NCc1c2CCCc2[nH]n1)N1CCN(CC1)C	MCULE-1319401586,PC-id_118785558,EMOLS-id_68921293,ZINC22_299775479	355.437	FXWZIMIGWRFGID-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102160
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)Oc1ccccn1	PC-id_120067037	355.437	FSJKVONORLDUIF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102161
CN([C@H]1Cc2n(C1)nc(c2)C(=O)N1CCCN(CC1)c1ncccn1)C	MCULE-4514097189,EMOLS-id_316328757	355.437	POJBBFUZFOFIKR-HNNXBMFYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-102162
CN=C(N1CCN(CC1)c1ccccc1O)NCc1nnc2n1CCC2	PC-id_111184254	355.437	LBFCHBQWDGLEGS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102163
O=C(C1CCc2n1c(nn2)C(C)(C)C)N1CCN(CC1)c1ncccn1	PC-id_118740462	355.437	VTDYTVZVNMENQR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102164
O=C(N1CCN(CC1)c1nc(C)cc(n1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101420361	355.437	JYTDKYQAOYVKQA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102165
Fc1ccc(cc1)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109813	355.449	YVIIIHCWIMLHCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102167
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(c(c1)F)C	PC-id_92109936	355.449	XNHNAUDQYHOGSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102168
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1ccccc1F	PC-id_92109891	355.449	YCTYOSSHLWDJNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102169
C1(c2ccccc2)(C(=O)Nc2sc3CCCc3c2C(=O)OCC)CC1	EMOLS-id_328209985,MCULE-5370380986	355.451	LAUNYPPVDGRHLC-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-102170
c1(NC(=O)C2CC2c2ccccc2)sc2c(CCC2)c1C(=O)OCC	TIMTEC309938,PC-id_2862437,MCULE-8678759215,EMOLS-id_2368271	355.451	MJNKUZGRAWRLHS-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-102171
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)O	MCULE-6238235427	355.451	DCCKJEXEDQYUKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102172
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	PC-id_4096245,MCULE-6986610990	355.451	KUMMKBZHSLINBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102173
CC(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)O)cc1	PC-id_28860322,EMOLS-id_179129562	355.451	DCCKJEXEDQYUKL-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102174
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CCC2	EMOLS-id_327863656,PC-id_1663791,ZINC22_1937424	355.451	KUMMKBZHSLINBM-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102175
CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCC2	CoCoCo_682904,PC-id_2163575,ZINC22_2737521	355.451	MJNKUZGRAWRLHS-CABCVRRESA-N	00100010100000110000100010000000000000000000000000000000	25-01-102176
CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCC2	CoCoCo_682907,ZINC22_995209,PC-id_1220218	355.451	MJNKUZGRAWRLHS-GJZGRUSLSA-N	00100010100000110000100010000000000000000000000000000000	25-01-102177
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCC2	PC-id_1220219,ZINC22_995210,CoCoCo_682906	355.451	MJNKUZGRAWRLHS-LSDHHAIUSA-N	00100010100000110000100010000000000000000000000000000000	25-01-102178
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCC2	ZINC22_2737522,PC-id_2163576,CoCoCo_682905	355.451	MJNKUZGRAWRLHS-HUUCEWRRSA-N	00100010100000110000100010000000000000000000000000000000	25-01-102179
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CC1)SC	SCHEMBL10812988,PC-id_13687501	355.451	YSCPDQRXQVIEIM-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-102180
CSc1cc2n(c1C(=O)c1ccc(cc1)C1CC1)CCC2(C)C(=O)O	SCHEMBL10814522,PC-id_70449666	355.451	MFXJPOWJBAQKHK-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-102181
O=C(c1cc2c(s1)CCC2)N1CCC(C(=O)O)(c2ccccc2)CC1	ZINC22_13185950,PC-id_45433429,MCULE-2764979533	355.451	QYYKKNDQALVRIF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-102182
O=C(C1CCOCC1)Nc1sc2c(c1C(=O)c1ccccc1)CCC2	EMOLS-id_98099718	355.451	PXKZINZRUCMZRY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-102183
s1c2CCCc2cc1C(=O)OCc1ccc(C(=O)N2CCCC2)cc1	PC-id_45637927	355.451	NNQQADDBQNTTNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102184
s1c2CCCc2cc1C(=O)OC(C(=O)N1CCCC1)c1ccccc1	PC-id_78528493	355.451	PLNZKGULUXOXNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102185
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1	PC-id_7704460	355.451	PLNZKGULUXOXNN-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102186
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1	PC-id_7704463	355.451	PLNZKGULUXOXNN-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102187
CC(C(=O)NS(=O)(=O)c1cnc2n1CCC2)OC1CCCCCC1	EMOLS-id_110389636	355.452	OAVZWNYYCINNLJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-102188
O=C(NS(=O)(=O)c1cnc2n1CCC2)CC1CCOC(C1)C(C)C	EMOLS-id_110389666	355.452	ZBCQBOMUCQCNFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102189
c1(c2CCCc2sc1NC(=O)c1ccncc1)C(=O)NC1CCCC1	ZINC22_13329127,PC-id_17174046,MCULE-6768874029,CoCoCo_1072733,TIMTEC29519,EMOLS-id_13331256	355.454	ACWXIPPPDOAODJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102190
c1(CN(Cc2ccco2)C(=O)Cc2cccs2)c2CCCc2n(C)n1	MCULE-8190509743,EMOLS-id_50145216,PC-id_86266521	355.454	POEBDEWLFGJVCE-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-102191
c1(NC(=O)CCCn2c(C)cc(=O)cc2C)sc2c(CCC2)c1C#N	MCULE-7875568263,EMOLS-id_322837943	355.454	NZTULTMUVFKEDW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102192
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2cc(C)cc(C)c2)C1	EMOLS-id_323390883,MCULE-5812319586	355.454	DJEDRUXDTKXQMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102193
Cc1ccc(C)c(c1)N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	EMOLS-id_323382445,MCULE-7186115654	355.454	FWYUUQJGCMQOLM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102194
Cc1csc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109468	355.454	GWEPWKKAFIRLJA-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-102195
CC(N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1)c1ccccc1	MCULE-4318991364,EMOLS-id_323386812	355.454	JZYOFAHGAQKFPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102196
CN1CCN(CC1)C(=O)c1cc2N(CCc2s1)C(=O)c1ccccc1	ZINC22_96146792,PC-id_97442319,EMOLS-id_44303558	355.454	QFRYFVYYFRASCG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102197
COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)c1	PC-id_3403132,ZINC22_5262085,CHEMBL1402063,EMOLS-id_3361805,CoCoCo_3578396,MCULE-1264768321,CoCoCo_3578397	355.454	DRFOZZIQAXWTKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102198
COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1	MCULE-4683038676,PC-id_8778415,EMOLS-id_24987165,CoCoCo_3576218,CoCoCo_3576217,ZINC22_7668323	355.454	PEWKFFUQMMXOCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102199
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)CCC1CCCCC1	MCULE-8584537001	355.454	HDOKNQBREOQMLW-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-102200
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCC1CCCCC1	MCULE-7568580842	355.454	WLSVXNYNBRAJCO-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-102201
Oc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324904963	355.454	HDOKNQBREOQMLW-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-102202
Oc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324904966	355.454	WLSVXNYNBRAJCO-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-102203
O=C(c1cc(n2c1SCC2)C(=O)N1CCCC1)NCc1ccccc1	PC-id_145616751	355.454	HXUKSPQLMFJIGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102204
O=C(c1cc(n(n1)C)C1CC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170470	355.454	BDRSQEIQOSHVBP-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-102205
O=C(C1CC(=O)N(CCc2ccccc2)C1)Nc1sc2c(CCC2)n1	MCULE-5840503797,PC-id_51110564,EMOLS-id_33336638	355.454	QUAUGDHFGBCMAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102206
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(CCc2ccccc2)C1	PC-id_33039292,ZINC22_25767629	355.454	QUAUGDHFGBCMAU-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102207
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC22_25767631,PC-id_33039295	355.454	QUAUGDHFGBCMAU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102208
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1ccsc1	PC-id_92109527	355.454	YBFRZPSVQJTJET-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-102209
s1c2CCCc2cc1C(=O)NN=Cc1ccc(N2CCOCC2)cc1	PC-id_84965641	355.454	RXMLBVQLEKXCNE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102210
s1c2CCCc2c(c1NC(=O)CN(Cc1c(OC)cccc1)C)C#N	PC-id_4818768	355.454	ATHNATBNRFAVHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102211
s1c2CCCc2c(c1NC(=O)CN(CCOc1ccccc1)C)C#N	PC-id_8797995	355.454	RDERAXCJNYRZQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102212
s1c2CCC(C(=O)N3CCCC3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947496	355.454	VGAWGZRQNDKJCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102213
s1c2CCC(C(=O)N3CCCCC3)c2nc1NC(=O)c1ccccc1	PC-id_16947019	355.454	RCDNJUYTZKIFCJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102214
s1c2CCC(C(=O)NC3CCCC3)c2nc1NC(=O)c1ccccc1	PC-id_16947047	355.454	KFGWBXYKEAOOGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102215
s1c(C(=O)NC2CCCCCC2)cc2c1NC(=O)C2=Cc1[nH]ccc1	PC-id_59043149	355.454	XLPYPSTZZFPDLY-UHFFFAOYSA-N	00000010110000000100000010000000000000000000000000000000	25-01-102216
CCCS(=O)(=O)N1CCCC1C(=O)NCCc1nnc2n1CCC2	MCULE-6358031002,EMOLS-id_316804966	355.456	CUSHEDARVCUESI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102217
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1nnc2n1CCC2	ZINC22_78954998	355.456	CUSHEDARVCUESI-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102218
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1nnc2n1CCC2	ZINC22_78955001	355.456	CUSHEDARVCUESI-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102219
CCNC(=O)CN1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100203093	355.456	UFRUFXHSYXOACW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-102220
CC(NC(=O)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100201119	355.456	VCLAPQYMZBTXEQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102221
CCN(C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)CC	EMOLS-id_100175885	355.456	JGPXMVGHDATTGD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102222
COC(=O)c1c(NC(=O)CSc2nncs2)sc2c1CCC2	EMOLS-id_33329488,MCULE-9066265279,ZINC22_28802783,PC-id_35966058	355.456	AIELKAUGQCBTPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102223
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NC1CCCCCC1)[O-]	PC-id_134798686	355.456	BZHGCNQOCSPFQU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-102224
NCCC(=O)NCC1CCCCN1S(=O)(=O)c1cnc2n1CCC2	PC-id_121705472	355.456	MUEFDDFLXCQFAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102225
O=C(N1CCN(C(C1)(C)C)S(=O)(=O)c1cnc2n1CCC2)N(C)C	EMOLS-id_100224067	355.456	GKEAYLIICHXXQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102226
O=C(N(C)C)CN1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100178411	355.456	KLWDJCOFBQPCOG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102227
c1(NC(=O)CCCNc2nc(C)cc(C)n2)sc2c(CCC2)c1C#N	MCULE-5648281841,PC-id_108800749,EMOLS-id_182614440	355.457	KCEVCXPINCRNCB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102228
Cc1nc(C(=O)N2Cc3c(Cn4cccc4)nn(C(C)C)c3C2)cs1	EMOLS-id_313737169,ZINC22_2055719483	355.457	OZXPJOWSFGVMEV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-102229
[C@@H]12CN(C[C@@H]1[C@H]2C(=O)NCc1cn2c(SCC2)n1)Cc1ccccn1	MCULE-1153203477,EMOLS-id_43155163,ZINC22_102712497	355.457	FGJZCAIOEHDWJL-ZSHCYNCHSA-N	00100010100000101001010010000000000000000000000000000000	25-01-102230
N#Cc1c(SCC(=O)Nc2n(C)nc3c2CCC3)nc(c(c1C)C)C	EMOLS-id_98829016	355.457	OMVJYYSHVZOFEM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102231
O=C(NC1CC[NH+](CC1)Cc1ccccc1)NCc1n2CCCc2nn1	PC-id_52380268	355.457	JZTQUEMGAVLGMP-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-102232
S1c2n(cc(n2)CNC(=O)C2C3C2CN(C3)Cc2ncccc2)CC1	PC-id_76438180	355.457	FGJZCAIOEHDWJL-UHFFFAOYSA-N	00100010100000101001010010000000000000000000000000000000	25-01-102233
S1c2n(cc(n2)CNC(=O)C2[C@H]3[C@@H]2CN(C3)Cc2ncccc2)CC1	PC-id_56908516	355.457	FGJZCAIOEHDWJL-XYPWUTKMSA-N	00100010100000101001010010000000000000000000000000000000	25-01-102234
N#CCSc1sc(nc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97699979	355.459	BLAGYFICBHAQNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102235
NC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CCC2	PC-id_4845607,MCULE-4618355084,SPECS-id_AN-153/I135556,ZINC22_5480490,CoCoCo_2928138,EMOLS-id_43725382	355.459	NGKKHDHHTMCKDA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102236
CC(C)S(=O)(=O)CC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	ZINC22_682108904,EMOLS-id_276225776,MCULE-6236185253	355.472	GWUNNRWJKFGHRL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-102237
s1c2c(CCC2)c(c1NC(=O)C(SC(=O)C)CC)C(=O)OCC	PC-id_17308980	355.472	WDYVONPVVNJCKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102238
COc1ccc(cc1)C1(CCOCC1)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_318373442	355.474	QFSCSWFLHDRRQR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102239
COc1cc(ccc1OC)C1(CCCCC1)CNC1CCn2c1ncc2	EMOLS-id_318363445	355.474	HRNLUCBLYRWQFO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102240
O(Cc1c(c(CN(Cc2n[nH]c3c2CCC3)C)c(cc1C)C)C)C(=O)C	PC-id_46995020	355.474	FRTSPYKIPRJAFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102241
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC1CCCCC1	PC-id_92109321	355.474	ZXUYRHGXFXYTCU-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-102242
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCC1CCCC1	PC-id_92109322	355.474	ZHDLUXYILWNYLI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-102243
s1c2CCCc2cc1C(=O)OCc1nc(sc1)c1ccc(cc1)C	PC-id_7238895	355.474	LABJBHZGUIDDTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102244
c1(c(C)nc(c2ccc(cc2)C)s1)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323297308,MCULE-9666396314	355.477	KYNQYPGWXSOBCE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102245
c1(CN2CCC(CC2)COc2ncnc(C)c2C)c2CCCc2nn1C	MCULE-1624555953,ZINC22_1565520818,EMOLS-id_313108312	355.477	SLRZTHYKGNXYTC-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-102246
c1(NC(=O)Cc2csc(c3ccc(cc3)C)n2)sc2c(CCC2)n1	MCULE-9586774218,EMOLS-id_320474179	355.477	UJSOTWXKIFWLGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102247
c1(NC(=O)Cc2csc(c3cccc(C)c3)n2)sc2c(CCC2)n1	EMOLS-id_320476226,MCULE-8225260626	355.477	BQMGLZTYWUOZNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102248
Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)c1	ZINC22_17073510,PC-id_20407390	355.477	GOOYJVZDASZLMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102249
Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)c(C)c1	PC-id_3612916,ZINC22_6922367	355.477	JOCQOELIHFRNIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102250
Cc1nn(c(c1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C)C	PC-id_92109958	355.477	JSWDOTJNOSJGFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102251
CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_21596412,PC-id_17099880	355.477	ITGYBRVIGIWOSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102252
CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)NCc1nnc2n1CCC2	PC-id_97025893,ZINC22_84734653	355.477	HRENKCOTFWZGSY-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102253
CC[C@H](c1ccccc1)N(CC(C)C)C(=O)NCc1nnc2n1CCC2	PC-id_97025894,ZINC22_84734656	355.477	HRENKCOTFWZGSY-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102254
CCCN(CCC)Cc1ccc(cc1)C(=O)NCc1nnc2CCCn12	ZINC22_55568906,MCULE-1352133805,EMOLS-id_32220274,PC-id_50948319	355.477	HRUXAYSVKIGTAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102255
CCC(N(C(=O)NCc1nnc2n1CCC2)CC(C)C)c1ccccc1	PC-id_71876556,EMOLS-id_44567641,MCULE-5200023749	355.477	HRENKCOTFWZGSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102256
CCN(Cc1ccccc1)CCNC(=O)c1nn2c(c1)CC(C2)N(C)C	MCULE-7525477282	355.477	LEQLLICXIGJPAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102257
CCN(CCNC(=O)c1cc2C[C@@H](Cn2n1)N(C)C)Cc1ccccc1	MCULE-7690829772,EMOLS-id_316329270	355.477	LEQLLICXIGJPAR-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102258
CN(Cc1ccccc1)CCCNC(=O)c1nn2c(c1)CC(C2)N(C)C	MCULE-7391047215	355.477	RUXWRAISXCCKMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102259
CN(CCCNC(=O)c1cc2C[C@@H](Cn2n1)N(C)C)Cc1ccccc1	MCULE-9191155637,EMOLS-id_316326199	355.477	RUXWRAISXCCKMA-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102260
COc1ccccc1C(N1CCCCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_258181785,MCULE-5854523474	355.477	LRPMMCOBWBMINM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102261
O=C(NC(c1n2CCCc2nn1)C(C)C)NC(CCc1ccccc1)C	PC-id_60273807	355.477	DOXKHQHZPHKFPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102262
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCC1)c1n(ccc1)C)C#N	PC-id_74752045	355.477	JLCLTPMXHDHFSU-UHFFFAOYSA-O	00000010110000000000100010000000000000000000000000000000	25-01-102263
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)c1n(ccc1)C)C#N	PC-id_41198577	355.477	JLCLTPMXHDHFSU-INIZCTEOSA-O	00000010110000000000100010000000000000000000000000000000	25-01-102264
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)c1n(ccc1)C)C#N	PC-id_41198580	355.477	JLCLTPMXHDHFSU-MRXNPFEDSA-O	00000010110000000000100010000000000000000000000000000000	25-01-102265
s1c2CCCc2c(c1NC(=S)NC(=O)Cc1c(cccc1)C)C#N	PC-id_26163961	355.477	GRXDNNNGSZTWAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102266
s1c2CCCc2c(c1NC(=S)NC(=O)CCc1ccccc1)C#N	PC-id_4955473	355.477	SJTYXVHDBCCQBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102267
s1c2CCCc2nc1NC(=O)c1sc(nc1C)Cc1ccccc1	PC-id_37725917	355.477	JEPWSMUHMNVNFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102268
c1(CN2CCN(CC2)c2cc(C)nc(N(C)C)n2)c2CCCc2nn1C	MCULE-8429797976,EMOLS-id_337124550,ZINC22_2087122352	355.48	SFKBHGOUAUNBTE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102269
CCN(c1cccc(c1)C)CCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020405	355.48	IECWUQZDGATZBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102270
CCN(c1ccccc1)CCCNC(=NC)NCc1nnc2n1CCC2	PC-id_111020503	355.48	JWYRGWKXGWCNIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102271
Cc1sc(c2c1C(=O)N(C2=O)CCCCCCCc1ccccc1)C	SCHEMBL16604926,PC-id_117982911	355.494	QJXUOZMREZAFFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102272
COc1c(sc2c1CCC2)C(=O)N1CCC(CC1)Cc1ccccc1	PC-id_91956581	355.494	KZYFNXBIGJPWMV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-102273
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CCC[NH+](C)C)C(=O)OCC	PC-id_7858625	355.495	YSVIYUPNRSSXRK-UHFFFAOYSA-P	00000010100000000000000010000000000000000000000000000000	25-01-102274
S1(=O)(=O)C[C@H]([NH+]2CCN(CC2)C(=O)c2sc3c(CCC3)c2)CC1	PC-id_9500683	355.495	NBEZIOPFWWVCJB-CYBMUJFWSA-O	00000010100010000001100010000000000000000000000000000000	25-01-102275
S1(=O)(=O)C[C@@H]([NH+]2CCN(CC2)C(=O)c2sc3c(CCC3)c2)CC1	PC-id_9500685	355.495	NBEZIOPFWWVCJB-ZDUSSCGKSA-O	00000010100010000001100010000000000000000000000000000000	25-01-102276
S1(=O)(=O)CC([NH+]2CCN(CC2)C(=O)c2sc3c(CCC3)c2)CC1	PC-id_85026735	355.495	NBEZIOPFWWVCJB-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-102277
c1(cc2c(CCC2)s1)C(=O)N1CCCC1c1cccc(CN(C)C)n1	PC-id_110107622,BDE-32157625,EMOLS-id_248643,MCULE-3615836051	355.497	MSRMNTJJADPYLR-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-102278
C1Cc2n(CC(=O)N(c3ccccc3)C(C)C)c(=NCC=C)sc2C1	MCULE-4600317609	355.497	XVPZQPLADXZDOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102279
c1(CN(C2CCCC2)C(=O)C=Cc2cccs2)c2CCCc2n(C)n1	MCULE-7880485355,PC-id_86266567	355.497	DZSVLZBIJYDUBQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-102280
CCC(CC)c1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324853482	355.497	IGJBXSSYXVUCOP-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102281
C=CC/N=c/1sc2c(n1CC(=O)N(c1ccccc1)C(C)C)CCC2	PC-id_4200101,SPECS-id_AT-225/NB76781	355.497	XVPZQPLADXZDOY-MRCUWXFGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102282
C=CC/N=c
/sc2c(n1CC(=O)N(c1ccccc1)C(C)C)CCC2	ZINC22_102265575	355.497	XVPZQPLADXZDOY-QZQOTICOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102283
CC(N1Cc2c(C1)cc(s2)C(=O)N1CCN(CC1)c1ccccc1)C	PC-id_53171255	355.497	BNIWOGCSYJFRGF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102284
CCN1CCN(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CC1	CoCoCo_3679872,EMOLS-id_11873946,MCULE-5568154707,PC-id_16393549,CoCoCo_3679871,ZINC22_9339284	355.497	CWULLCKKOYPBPR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102285
Cn1nc(CN(C2CCCC2)C(=O)/C=C/c2cccs2)c2CCCc12	ZINC22_217908452,EMOLS-id_50145304	355.497	DZSVLZBIJYDUBQ-VAWYXSNFSA-N	00000010100100000001000010000000000000000000000000000000	25-01-102286
CN(Cc1nccc(c1)C1CCCN1C(=O)c1sc2c(c1)CCC2)C	BDE-32158565,MCULE-7902769364	355.497	CSRMBCCQYPCKRA-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-102287
CN(C)Cc1cccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257270079	355.497	MSRMNTJJADPYLR-KRWDZBQOSA-N	00000010100000101000100010000000000000000000000000000000	25-01-102288
CN(C)Cc1cccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1	ZINC22_257270080	355.497	MSRMNTJJADPYLR-QGZVFWFLSA-N	00000010100000101000100010000000000000000000000000000000	25-01-102289
Clc1cc(C)c(cc1C(c1sc2c(c1)CCC2)Br)C	PC-id_113319634	355.72	NBBQKPQBAJNISF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102333
CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)ccn1	ZINC22_585182243	355.497	CSRMBCCQYPCKRA-KRWDZBQOSA-N	00000010100000101000100010000000000000000000000000000000	25-01-102290
CN(C)Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)ccn1	ZINC22_585182244	355.497	CSRMBCCQYPCKRA-QGZVFWFLSA-N	00000010100000101000100010000000000000000000000000000000	25-01-102291
n12c(=O)c(=Cc3ccc(cc3)C(C)(C)C)sc1nc(C(CC)CC)n2	MCULE-5757049754	355.497	IGJBXSSYXVUCOP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102292
O=C(N(C1CCNCCC1)Cc1ccccn1)c1sc2c(c1)CCC2	PC-id_120433154	355.497	ZYWSHTARWGTJNE-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-102293
s1c2CCCc2cc1C(=O)Nc1c(N2CCN(CC2)CC)cccc1	PC-id_31826354	355.497	STUVCSGBBXLOTI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102294
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(cc(c1)C)C	PC-id_44060355	355.497	YAVCOQSGGJHTND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102295
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(c(cc1)C)C	PC-id_44060356	355.497	RHRJYDKRYLEEMA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102296
s1c2CCCc2nc1CN1CCN(CC1)C(=O)Cc1cc(ccc1)C	PC-id_44060406	355.497	DLRGCXXRUPXUDB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102297
s1c2CCCc2nc1CN1CCN(CC1)C(=O)CCc1ccccc1	PC-id_44060409	355.497	POHKMOSZXGVVCF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102298
CC(C)n1nc(CN2CCCCC2)c2c1CN(S(=O)(=O)N(C)C)C2	EMOLS-id_313733334,ZINC22_2055718017	355.499	VKIVYACXOSPUNL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102299
s1c2c(CCC2)c(c1NC(=S)NN1CC[NH+](CC1)C)C(=O)OC	PC-id_7223726	355.499	IWSCAEXTODXHGT-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-102300
C1CCN(CC1)C(=NCCc1cn2c(n1)SCC2)Nc1ccccc1	PC-id_120363210	355.5	NFXIMHWAQTZBBN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102301
s1c2CCCc2cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	PC-id_8545290	355.517	WGNYIQMIZFVZAD-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-102302
s1c2CCCc2cc1C(=O)NCc1c(C[NH+]2CCCCC2)cccc1	PC-id_8969253	355.517	OIALYOMRBQPKLH-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-102303
CCC1CN(CC(S1=O)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009021	355.519	QPGNUDUGKUMLIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102304
CN(C1CCN(Cc2nc3CCCc3s2)CC1)S(=O)(=O)C1CC1	MCULE-8473740249,EMOLS-id_337129922,ZINC22_2087141187	355.519	KYDIIRIMODMGHH-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-102305
CSC1(CCOCC1)CNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003615	355.519	RUJJCJCKWXYWOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102306
O=C(N1CCS(=O)C(CC1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010842	355.519	UZEOLLNLBDMUDD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-102307
s1c2CCCc2nc1CCNCc1sc(nc1)c1c(cccc1)C	PC-id_50954769	355.52	WMGCFZGCTRBQHF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102308
CC1CCN(C(=S)SCC(=O)Nc2nc3c(s2)CCC3)CC1	EMOLS-id_48769253,ZINC22_95947426,PC-id_75413255,MCULE-7706942846	355.542	CCFFRDIVPDGRQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102309
Brc1cc(Cl)c(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52366903	355.618	AIPHIRVBCFQQRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102310
O=C(NCc1nnc2n1CCC2)c1cc(Br)ccc1Cl	PC-id_17504027,MCULE-2136061419,ZINC22_12992895,CoCoCo_4474363,EMOLS-id_16689443	355.618	HRFWZUSAQBAQNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102311
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2Cl)c1	MCULE-5466740718,EMOLS-id_330958769	355.657	KJJGMSIQDLRFIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102312
COc1ccc(Br)c(Cn2nc(Cl)c3C(C)CCc23)c1	EMOLS-id_330973685,MCULE-7647500290	355.657	YDPIHUOUOVORQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102313
COc1ccc(Cn2nc3CCC(C)c3c2Br)cc1Cl	EMOLS-id_331016105,MCULE-1254592869	355.657	SCQAFAPJKXJPSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102314
COc1ccc(Cn2nc3CCC(C)c3c2Br)c(Cl)c1	EMOLS-id_331016361,MCULE-5657418157	355.657	LLLPXJCCZUCDMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102315
COc1ccc(Cn2nc3CCC(C)c3c2Cl)c(Br)c1	MCULE-6930624903,EMOLS-id_330959025	355.657	SFZIQXDMYDYDBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102316
COc1ccc(Cn2nc(Br)c3C(C)CCc23)cc1Cl	EMOLS-id_330968572,MCULE-3117526832	355.657	IZOJQXIVBKWPNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102317
COc1ccc(Cn2nc(Br)c3C(C)CCc23)c(Cl)c1	MCULE-6354096131,EMOLS-id_330968828	355.657	LTHCECFUCUGYKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102318
COc1ccc(Cn2nc(Cl)c3C(C)CCc23)c(Br)c1	MCULE-5989551383,EMOLS-id_330973941	355.657	OBGBINIHPJSNQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102319
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1Br	MCULE-3577126975,EMOLS-id_331015597	355.657	HIKQPVJTTVKQIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102320
COc1cc(Cl)ccc1Cn1nc(Br)c2C(C)CCc12	MCULE-5242794732,EMOLS-id_330972144	355.657	UPRAKKDGEJXFRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102321
COc1cc(Cn2nc3CCC(C)c3c2Br)ccc1Cl	EMOLS-id_331015341,MCULE-5044853205	355.657	RNVBQRKFXKRLRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102322
COc1cc(Cn2nc(Br)c3C(C)CCc23)ccc1Cl	EMOLS-id_330971888,MCULE-2556718920	355.657	XLJDPJHPIPWLHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102323
Brc1ccc(c(c1)Cl)CNC(c1nnc2n1CCC2)C	EMOLS-id_317960362,PC-id_115652011	355.661	RGCXFTHZSDCFDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102324
Brc1ccc(c(c1)CNC(c1nnc2n1CCC2)C)Cl	PC-id_103792510	355.661	IDRFEYGXGAXGOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102325
Brc1cc(CNC(c2n3CCCc3nn2)C)ccc1Cl	PC-id_83230825	355.661	VCSCFXIJXWYINE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102326
Brc1c(CNC(c2n3CCCc3nn2)C)ccc(Cl)c1	PC-id_81498535	355.661	DJSKKUTWWASBGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102327
Brc1c(CNC(c2n3CCCc3nn2)C)cc(Cl)cc1	PC-id_66159163	355.661	YCNYVSYJQQXBLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102328
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)Cl)Br	PC-id_103581540	355.661	SKEKYPGCYJFKIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102329
Brc1ccc(c(c1)Cl)CC(=O)c1sc2c(c1)CCC2	PC-id_115801979	355.677	LBCIRUWDFSCGQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102330
Brc1c(cc(C(Cl)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64184797	355.72	IPXZPKBVYSVSRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102331
BrC(c1sc2c(CCC2)c1)c1c(cc(Cl)c(c1)C)C	PC-id_64212614	355.72	YWQHDJWTTJQEJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102332
Clc1c(S(=O)(=O)NCc2n3CCCc3nn2)cc(cc1)C(=O)[O-]	PC-id_51519755	355.777	IEQICMKNIRPSJH-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-102334
n12nc(nc1sc(=Cc1ccco1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-1725292923	355.798	UJYNRRIHOIRKAB-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-102335
CCOC(=O)c1cc(/N=c/2snc3n2CC(C3)C)c(cc1Cl)F	SCHEMBL10551792,PC-id_14406639	355.815	DBMGQUCQOIKOSC-SDXDJHTJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102336
c1(C(=O)Nc2c(C)cnn2Cc2ccc(cc2)Cl)c2CCCc2[nH]n1	EMOLS-id_31608608,MCULE-3672677067,ZINC22_55152841,PC-id_46987354	355.821	IWGTYPFJGRJJDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102337
CCc1c(nn2c1OCC2)C(NS(=O)(=O)c1ccc(cc1)Cl)C	SCHEMBL14208956,PC-id_24952974	355.84	UAYCDIUTKJWGLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102338
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C(=O)OCC	MCULE-5074017633,CoCoCo_4968654,EMOLS-id_28207117,PC-id_3523021,ZINC22_5474311	355.86	GQBDTWHRIDWHHE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102339
Clc1ccc(CCNC(=O)c2sc3CS(=O)(=O)Cc3c2)cc1	PC-id_20882717	355.86	HBIUHDRZCZTASJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102340
CCc1cc(ccc1CC)NS(=O)c1c(Cl)nc2n1CCS2	PC-id_143888844	355.906	KGFGCGOKWGAMFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102341
C1CC2=C(C1)SC(=N2)C(=O)NCC3=C(C=C(C=C3Cl)Cl)CO	PC-id_153936219	356.015	SPXDNSIDJVBBNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102342
C1CC2=C(C1)SC(=N2)C(=O)NC(CO)C3=C(C=C(C=C3)Cl)Cl	PC-id_153936218	356.015	HRDBRTNJZMPABU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102343
CC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=NC4=C(S3)CCC4	PC-id_154801992	356.077	ZGRHOUZVCAWXGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102344
Brc1cnc(cn1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL1227841,PC-id_86650540	356.132	CSGXUGVVWHGSSZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102345
Brc1cnc(nc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_66955601,SCHEMBL1227180	356.132	MMAYBGMOFGZMFX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102346
Clc1c2n(CCC2C(=O)OC)c(c1Cl)C(=O)c1ccc(F)cc1	SCHEMBL11004494,PC-id_20405045	356.176	ZBLFVZJKEHEHII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102347
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)F	MCULE-1201854503,EMOLS-id_330978038	356.177	DZNQZMMDRCXKLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102348
c12C(C)CCc1nn(Cc1c(cccc1F)I)c2	EMOLS-id_331001003,MCULE-7402495678	356.177	CQHZKUZHQZKXDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102349
c12C(C)CCc1nn(Cc1cc(F)ccc1I)c2	EMOLS-id_331001259,MCULE-8062338004	356.177	QEUQBIJYUFLFSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102350
CC1CCc2c1c(I)nn2Cc1ccccc1F	MCULE-5221134642,EMOLS-id_330980598	356.177	LKVQDPSMOZPGMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102351
CC1CCc2c1c(I)nn2Cc1cccc(F)c1	EMOLS-id_330979063,MCULE-5609535610	356.177	AMCRBPFSGKQENJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102352
CC1CCc2c1cnn2Cc1cc(F)ccc1I	EMOLS-id_331015406,MCULE-7830172338	356.177	IRAAWXWYAOVTKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102353
CC1CCc2c1cnn2Cc1c(F)cccc1I	MCULE-3865966801,EMOLS-id_331015150	356.177	LKDXINSJUPBRSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102354
CC1CCc2nn(Cc3ccccc3F)c(I)c12	EMOLS-id_330964658,MCULE-6748868047	356.177	RBZAPNZTSRFWRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102355
CC1CCc2nn(Cc3cccc(F)c3)c(I)c12	EMOLS-id_330963123,MCULE-8143341570	356.177	AAYBLSMAXRKGFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102356
CC1CCc2nn(Cc3ccc(F)cc3)c(I)c12	MCULE-4510715676,EMOLS-id_330962098	356.177	GDWUBHBTNKSTQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102357
c1(NC(=O)c2ccc(Br)o2)sc2c(CCC2)c1C(=O)O	MCULE-5685940468,EMOLS-id_179129511,PC-id_28860267	356.192	HTYZAZGDANNVHL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-102358
OC(=O)c1c(sc2c1CCC2)NC(=O)c1ccoc1Br	PC-id_106850896	356.192	YCWUPZAIAWMZSO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-102359
BrCCN(C(=O)c1sc2c(c1)CCC2)CC(F)(F)F	PC-id_107492492	356.202	GXGDVKQLQXLDGN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102360
C1COc2c(c(nn12)C(=O)NCCC(c1ccccc1Cl)O)Cl	PC-id_91960014	356.204	IXEFOAMGCBGTAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102361
CCC1=C(N2CCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=CN3C	PC-id_148548489	356.21	ZAWZWSRZPBRFSW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-102362
CCCCC1=C(N2CCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=CN3C	PC-id_161325203	356.21	VKRDMBGNQZDRIW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-102363
CCCCCCOC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CN3CC	PC-id_148547536	356.21	KQSOJLDZMYBSCU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-102364
CCCCN1C=CC=C1C(=O)C2=C(C=C3N2CCC3C(=O)OC(C)C)C	PC-id_148548978	356.21	BZZDPTIRHQYYQB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-102365
CCCN1C=CC=C1C(=O)C2=C(C=C3N2CCC3C(=O)OC(C)C)CC	PC-id_161919760	356.21	YHVRFCDZTVDNMG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-102366
Brc1c(C(=O)Nc2sc3CCCc3n2)cc(N)c(F)c1	PC-id_62815960	356.213	SKKISNCMBWAIGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102367
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129450,MCULE-2620264429,PC-id_28860213	356.224	KEZVXYSIWKNIHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102368
Ic1cccc(c1)C(c1sc2c(n1)CCC2)N	PC-id_114283072	356.225	FCWRJSBSKWBBMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102369
Clc1c(nc(Cl)cc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_26771325	356.227	WUPCQLBGOOMBQO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102370
Brc1cccc(c1C)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-2042502614,EMOLS-id_316408329	356.238	RAOOQQALDFXDNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102371
Cc1cc(Br)cc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-8552689411,EMOLS-id_316439569	356.238	KGMRPTMMOCXECL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102372
Cn1ncc(c(c1=O)Br)NCCc1cn2c(n1)SCC2	EMOLS-id_99830593	356.241	CLFIWNOAHWQLAP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102373
COc1cc(F)c(cc1C(c1sc2c(c1)CCC2)N)Br	PC-id_103394467	356.253	DZHJBSXHQOOIRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102374
CN=C(NCc1nnc2n1CCC2)NCc1cc(c(n1C)Cl)Cl	PC-id_109767907	356.254	NXLWWPZCXWJORI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-102375
COCCn1ncc(c1C(c1sc2c(c1)CCC2)N)Br	PC-id_105042888	356.281	ZFQNTTPYPLURGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102376
CCOC(=O)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccccn1	PC-id_135441682	356.293	IAZNNCLFZARTCV-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-102377
CCOC(=O)C(=O)[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccccn1	PC-id_136791191	356.293	IAZNNCLFZARTCV-QMMMGPOBSA-N	00000011100000101001000010000000000000000000000000000000	25-01-102378
CCOC(=O)C(=O)[C@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccccn1	PC-id_136791192	356.293	IAZNNCLFZARTCV-MRVPVSSYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-102379
CCOC(=O)C(=O)[C@H](C(=O)c1ccccn1)C1=Nc2nnc(N)n2C1=O	CoCoCo_5636530,ZINC22_104247233	356.293	GUVNQQTUFOTJKJ-QMMMGPOBSA-N	00000011100000101001000010000000000000000000000000000000	25-01-102380
CCOC(=O)C(=O)[C@@H](C(=O)c1ccccn1)C1=Nc2nnc(N)n2C1=O	LI_75461,CoCoCo_5636529,ZINC22_104247239,NSC382720	356.293	GUVNQQTUFOTJKJ-MRVPVSSYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-102381
O=C1n2c(N=C1C(C(=O)c1ncccc1)C(=O)C(=O)OCC)nnc2N	PC-id_343307	356.293	GUVNQQTUFOTJKJ-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-102382
Brc1cc(sc1)CN(C(=O)c1sc2CCCc2c1)C	PC-id_54942258	356.301	MKEKTILJAWUORY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102383
Brc1scc(CN(C(=O)c2sc3CCCc3c2)C)c1	PC-id_54983816	356.301	GAIHKSNYOBHKCY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102384
Brc1sc(C(=O)NCc2sc3CCCc3c2)cc1C	PC-id_79986675	356.301	PYBDDGPLNUNNHL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102385
CN(Cc1ccc(Br)s1)C(=O)c1cc2c(s1)CCC2	PC-id_9501101,MCULE-9312909605,CoCoCo_3679455,EMOLS-id_27358819,ZINC22_8387688	356.301	ABHIROCODPVHDS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102386
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1C(F)(F)F)F	EMOLS-id_330969526,MCULE-1218654054	356.315	XRIXJNVYHPRXCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102387
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(cc1F)C(F)(F)F	EMOLS-id_330970034,MCULE-9836064159	356.315	LGKKEMFBYHLHIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102388
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(C(F)(F)F)c1)F	EMOLS-id_330972084,MCULE-7554711311	356.315	LILFRYPVUZQART-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102389
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cccc(C(F)(F)F)c1F	MCULE-1072878664,EMOLS-id_330972596	356.315	QUCKSNOYCIEOLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102390
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)C(F)(F)F	EMOLS-id_330969778,MCULE-6605568957	356.315	ZBRQRZCDYGVQQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102391
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(F)cc(c1)C(F)(F)F	EMOLS-id_330972852,MCULE-2570464820	356.315	UHEREVUEDYYOTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102392
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1cc(F)ccc1C(F)(F)F	MCULE-7883674235,EMOLS-id_330969782	356.315	GJUJAUOSYRTSMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102393
c1(C(=O)O)c2C(C)CCc2nn1C(C)c1c(F)ccc(c1)C(F)(F)F	MCULE-9241745994,EMOLS-id_330972340	356.315	PBFCGSZBIBACIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102394
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2C(F)(F)F)F)n1	MCULE-9366402865,EMOLS-id_330992883	356.315	UTMWWEVKJDFXSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102395
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(cccc2C(F)(F)F)F)n1	MCULE-9453271535,EMOLS-id_330992627	356.315	BWYFKXKOMMDDQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102396
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2F)C(F)(F)F)n1	EMOLS-id_330990323,MCULE-5205320171	356.315	ZHLLCCWZXXCLJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102397
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(C(F)(F)F)c2F)n1	EMOLS-id_330990580,MCULE-9012149658	356.315	FVGAFYJCRIFWCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102398
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(C(F)(F)F)c2)F)n1	MCULE-2382617605,EMOLS-id_330990836	356.315	MBNCLSLKNQWBDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102399
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(F)c2)C(F)(F)F)n1	EMOLS-id_330990579,MCULE-5077311603	356.315	ZANHWNOXAGWFPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102400
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)cc(c2)C(F)(F)F)n1	EMOLS-id_330991092,MCULE-2279587985	356.315	JLXHLIRDRRDPPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102401
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)ccc2C(F)(F)F)n1	MCULE-7472112736,EMOLS-id_330993139	356.315	OJMMOPPVFSNAST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102402
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(F)ccc(c2)C(F)(F)F)n1	EMOLS-id_330991348,MCULE-8627697573	356.315	VSCFXQUAAADXKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102403
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1C(F)(F)F)F	MCULE-8596054967,EMOLS-id_330970559	356.315	GQUXICOKRQAXSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102404
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1F)C(F)(F)F	MCULE-6388149229,EMOLS-id_330972094	356.315	JMRFLWBMKGEFPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102405
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(C(F)(F)F)c1F	EMOLS-id_330972351,MCULE-2631413000	356.315	PGYBQJTYUKZDOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102406
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(C(F)(F)F)c1)F	MCULE-8154502716,EMOLS-id_330972607	356.315	JAWIHLNWKXMTFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102407
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)C(F)(F)F	MCULE-1236068849,EMOLS-id_330972350	356.315	NXINZLYUVCHABO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102408
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_330970815,MCULE-7617536022	356.315	VKUVJDJEOKGNHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102409
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)cc(c1)C(F)(F)F	EMOLS-id_330972863,MCULE-4782750933	356.315	NQRCOTUMCQVBJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102410
c1(C(=O)OC)c2C(C)CCc2nn1Cc1c(F)ccc(c1)C(F)(F)F	MCULE-6131346341,EMOLS-id_330973119	356.315	WHHJWUDJSQZAOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102411
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1C(=O)O	EMOLS-id_330969270,MCULE-8983374375	356.315	PXKCQVIGGNPFPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102412
COC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1C(F)(F)F	MCULE-1028537765,EMOLS-id_330970303	356.315	KRXNSTQXALXBEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102413
BrCC1(CCCCC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_103969907	356.321	DGKDSUUBWJAPIN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102414
BrCC1(CCCC(C1)C)NC(=O)c1sc2c(c1)CCC2	PC-id_114314669	356.321	CZZJEBRFTLYOAZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102415
BrCC1(CCC(CC1)C)NC(=O)c1sc2c(c1)CCC2	PC-id_114314927	356.321	ZRWLQKQQWFQHMZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102416
BrCC1CCCCC1CNC(=O)c1sc2c(c1)CCC2	PC-id_114317367	356.321	CTVWDIKDMWHVCB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102417
BrCCN(C1CCCCC1)C(=O)c1sc2c(CCC2)c1	PC-id_80658920	356.321	BRVFPEZUHYJQCU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102418
CC(=O)ON(C(C)(C)C)C(=O)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_87852369,SCHEMBL5543043	356.331	FKAUOHVRSHRIFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102419
COC(=O)N(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C(C(C)(C)C)C(=O)O	SCHEMBL5542036,PC-id_69481276	356.331	OETRBBHQRIRREX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102420
O1C(Cn2c1nc([N+](=O)[O-])c2)(COC(=O)NC(C(C)(C)C)C(=O)O)C	PC-id_69481277,SCHEMBL5542041	356.331	BKTQCDAEMNEXPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102421
O1C(Cn2c1nc([N+](=O)[O-])c2)(COC(=O)NCC(=O)OC(C)(C)C)C	SCHEMBL5543048,PC-id_69481489	356.331	GLWVJPXEUFNLIJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102422
[O-][N+](=O)c1cc(ccc1S(=O)(=O)N1Cc2c(C1)ncs2)[N+](=O)[O-]	PC-id_101583518	356.334	QSDUMLCQIBXVLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102423
CC1(Oc2n(C1)cc(n2)[N+](=O)[O-])Cn1nnc(c1)COc1ccccc1	SCHEMBL19542443	356.336	ZUVARUSRTPOPAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102424
Brc1c(sc(c1)C)C(NCC)c1sc2c(CCC2)c1	PC-id_65279246	356.344	AUIYILQEWAWLBB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102425
Brc1c(scc1)C(NCCC)c1sc2c(CCC2)c1	PC-id_80535705	356.344	GJBKNPVFGCSENM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102426
Brc1sc(c(C(NCC)c2sc3c(CCC3)c2)c1)C	PC-id_65633607	356.344	KHSVVUDQHRKGKT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102427
Brc1sc(C(NCC)c2sc3c(CCC3)c2)cc1C	PC-id_79991873	356.344	KDAKXCYZOFMRBU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102428
Brc1sc(C(NCCC)c2sc3c(CCC3)c2)cc1	PC-id_63502917	356.344	BWOPWKRJMIEUDK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102429
CCCNC(c1cscc1Br)c1sc2c(c1)CCC2	PC-id_105010577	356.344	JGBJTTAFNPBLIR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102430
CCNC(c1sc2c(c1)CCC2)Cc1ccc(s1)Br	PC-id_115841288	356.344	MQZLEWRBKHDSMK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102431
CCNC(c1sc2c(c1)CCC2)Cc1scc(c1)Br	PC-id_115848015	356.344	ANGQLEIGGZXCKL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102432
CCNC(c1sc2c(c1)CCC2)Cc1sccc1Br	PC-id_115849223	356.344	VNUHCGVHHDWDIY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102433
CCNC(c1sc(c(c1)Br)C)c1sc2c(c1)CCC2	PC-id_102827485	356.344	LVJFMTAZOGOGMH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-102434
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2C(=O)N	SCHEMBL4282995,PC-id_68985726	356.348	HRSJUKVQUZYUNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102435
O=C(NCc1nnc2n1CCC2)c1ccc(S(=O)(=O)C(F)F)cc1	EMOLS-id_44028115,PC-id_25653571,ZINC22_12990678,CoCoCo_4491085,MCULE-1446267594	356.348	YCFFADFVPFMSQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102436
Fc1ccc(cc1)OCc1occ(n1)C(=O)NCc1[nH]nc2c1CCC2	EMOLS-id_20725105,MCULE-4407583398,CoCoCo_1609169,CoCoCo_1609168,PC-id_26394471	356.351	YQPPPSYCFKDTLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102437
O=C(NC1CC(C1)NCc1sc2c(c1)CCC2)OCc1ccccc1	PC-id_103393275	356.482	WEURTDDHUCGHRT-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-102798
Fc1c(OCc2occ(n2)C(=O)NCc2n[nH]c3c2CCC3)cccc1	PC-id_42512234	356.351	DJFMZJOFZNOOEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102438
O=C(NCc1nnc2n1CCC2)c1ccc(COc2ccc(F)cc2)o1	CoCoCo_4560473,ZINC22_22191423,EMOLS-id_25022047,PC-id_30094069,MCULE-9755086489	356.351	GQBCSANCEVEZSO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-102439
Fc1cccc(OCc2cc(n[nH]2)C(=O)NCc2nnc3CCCn23)c1	PC-id_56744009,MCULE-7066802617,ZINC22_67695592,EMOLS-id_36578024	356.354	QNVKQQKZRRXMBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102440
O=C(CCc1nc(c2ccc(F)cc2)no1)NCc1nnc2n1CCC2	EMOLS-id_25008001,CoCoCo_4474388,MCULE-3678870581,ZINC22_32873623,PC-id_40108043	356.354	CARVQCDDYGDTHL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102441
CNc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)OC(F)(F)F	PC-id_135200338,SCHEMBL20353919	356.363	FQMWPRGKRBFSNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102442
O=C(Nc1nc2c(s1)CCC2)c1ccc(COCC(F)(F)F)cc1	PC-id_33040962,EMOLS-id_25650275,CoCoCo_4459535,MCULE-9424226408,ZINC22_25769256	356.363	FEDHWMRWMHCJNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102443
s1nc2CN(Cc2c1N)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_56656134	356.366	QTUSUFUBFIZNDZ-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102444
s1nc2CN(Cc2c1N)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_76388650	356.366	QTUSUFUBFIZNDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102445
s1nc(N)c2CN(Cc12)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_56656274	356.366	XGQCBZOSHCTJFU-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102446
s1nc(N)c2CN(Cc12)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_76388688	356.366	XGQCBZOSHCTJFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102447
c12CN(Cc1nn(CC(F)F)c2C(=O)NC1CC1)C(=O)OC(C)(C)C	EMOLS-id_324356454,MCULE-3960970036	356.368	RQLKWAUPXAXWHL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-102448
COCCNC(=O)c1cnc2CCC(CNC(=O)C3CC(F)(F)C3)n12	EMOLS-id_313764800	356.368	JEYJHNBQWGLOIB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-102449
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)C1CC(F)(F)C1)CC2	ZINC22_1565553070	356.368	JEYJHNBQWGLOIB-LLVKDONJSA-N	00001010100000000001000010000000000000000000000000000000	25-01-102450
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)C1CC(F)(F)C1)CC2	ZINC22_1614937728	356.368	JEYJHNBQWGLOIB-NSHDSACASA-N	00001010100000000001000010000000000000000000000000000000	25-01-102451
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N[C@H](C(=O)O)CC(=O)O	MCULE-9431767013,EMOLS-id_328215155	356.372	BNQAXMWAQIATSO-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102452
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CC(=O)O)CC(=O)O	MCULE-1019146771,EMOLS-id_328339359	356.373	HILHFCZDVRHWIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102453
c12CN(Cc1cnn2CCO)C(=O)C1CC(=O)N(c2cccc(O)c2)C1	MCULE-7900925430,PC-id_74231144,EMOLS-id_49641082	356.376	LUXYKBUGNVOFPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102454
COc1cccc(c1)N1CCCC(C1=O)NC(=O)c1cc2n(n1)CCO2	MCULE-5887337005,EMOLS-id_316866259	356.376	XPLGSXKLUIJLHQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102455
COc1cccc(N2CCC[C@H](NC(=O)c3cc4n(n3)CCO4)C2=O)c1	ZINC22_377973520	356.376	XPLGSXKLUIJLHQ-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102456
COc1cccc(N2CCC[C@@H](NC(=O)c3cc4n(n3)CCO4)C2=O)c1	ZINC22_377973523	356.376	XPLGSXKLUIJLHQ-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102457
o1nc(nc1Cn1nc2CCCc2c1)c1c(OC)c(OC)c(OC)cc1	PC-id_56875267	356.376	JMWDQOVLLQMSTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102458
O=C([C@@H]1CC(=O)N(c2cccc(O)c2)C1)N1Cc2cnn(CCO)c2C1	ZINC22_97173191,PC-id_97842275	356.376	LUXYKBUGNVOFPF-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102459
O=C([C@H]1CC(=O)N(c2cccc(O)c2)C1)N1Cc2cnn(CCO)c2C1	ZINC22_97173194,PC-id_97842276	356.376	LUXYKBUGNVOFPF-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102460
OCCn1ncc2c1CN(C2)C(=O)C1CN(C(=O)C1)c1ccc(cc1)O	EMOLS-id_49647418,MCULE-2041090382,PC-id_74234246	356.376	SJPOOJNPNMELAR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102461
OCCn1ncc2c1CN(C2)C(=O)[C@H]1CN(C(=O)C1)c1ccc(cc1)O	PC-id_97884590	356.376	SJPOOJNPNMELAR-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102462
OCCn1ncc2c1CN(C2)C(=O)[C@@H]1CN(C(=O)C1)c1ccc(cc1)O	PC-id_97884591	356.376	SJPOOJNPNMELAR-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102463
s1c2CCCc2c(c1N=Cc1c([O-])c(OCC)cc([N+](=O)[O-])c1)C#N	PC-id_7114244	356.376	DRJZKYUNUSSOSI-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-102464
C1Cc2nnc(n2C1C(=O)N1CCOCC1)CNC(=O)c1cnccc1	PC-id_134789012	356.379	MKTSGVITWUQZLU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102465
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)NC(=O)C	SCHEMBL2918590,PC-id_68440671	356.379	GZJDDTORHAIKFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102466
NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cnn3c2CCC3)c1	ZINC22_1568270662	356.379	LRPLUOUWCHFPGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102467
O=C(NCc1n2CCCc2nn1)c1cc([N+](=O)[O-])c(N2CCCC2)cc1	PC-id_52375801	356.379	YDHJBVMXINCSFB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102468
Fc1ccc(cc1)C(=O)CN1CCC(CC1)CN1Cc2c(C1=O)occ2	PC-id_21078233,SCHEMBL5248186	356.391	BMTHLBVTDVRTHV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-102469
c1(C(=O)NC2CN(C(=O)C2)CCc2ccc(cc2)F)c2CCCc2[nH]n1	EMOLS-id_43181999,PC-id_56917794,MCULE-9181166629	356.394	ILRPMNCTPNZHGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102470
Fc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_24810869,SCHEMBL3132008	356.394	SLOVWNRKQOAIHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102471
Fc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98018262	356.394	JDVBICJUUFCKNL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102472
Fc1ccc(Cn2ncc3CN(Cc23)C(=O)C(N2CCCC2=O)C)cc1	PC-id_56760577	356.394	XKDDKCKTGPKYPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102473
Fc1cccc(NC(=O)c2cnc3CCC(CNC(=O)CC4CC4)n23)c1	EMOLS-id_55730318	356.394	MMCUGKJUYYIWGK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-102474
O=C(c1ccc(c(c1)F)C)N1CCN(CC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_101192167	356.394	QZNSIZGIZSWJTL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102475
O=C(c1ccc(c(c1)F)C)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110480814	356.394	GYYGKERZZVRWAM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102476
O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2cnn3c2CCC3)CC1	MCULE-8659708819,EMOLS-id_320382046,PC-id_145897135,ZINC22_294346263	356.394	LNXBSYDLVPLXKO-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-102477
Brc1c(NC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_81026869	356.665	ZCKVEBOLXUQKDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102862
O=C(CC1CC1)NC[C@@H]1CCc2ncc(C(=O)Nc3cccc(F)c3)n12	ZINC22_306133458	356.394	MMCUGKJUYYIWGK-HNNXBMFYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-102478
O=C(CC1CC1)NC[C@H]1CCc2ncc(C(=O)Nc3cccc(F)c3)n12	ZINC22_306133459	356.394	MMCUGKJUYYIWGK-OAHLLOKOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-102479
O=C(N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1n[nH]c2c1CCC2	ZINC22_72173661,PC-id_95730019	356.394	ILRPMNCTPNZHGX-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102480
O=C(N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1n[nH]c2c1CCC2	ZINC22_72173662,PC-id_95730020	356.394	ILRPMNCTPNZHGX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102481
c1(C#N)c2CCCc2sc1/N=C/c1ccc(c(OC)c1)OCC(=O)O	CoCoCo_1936854,ZINC22_714197,MCULE-1812556051,PC-id_9600084,EMOLS-id_2754199,TIMTEC540945,ChemDIV8007-7909	356.396	XBGCOKHJNUDFNA-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102482
c1(C#N)c2CCCc2sc1N=Cc1ccc(c(OC)c1)OCC(=O)O	PC-id_1041723,MCULE-8991638843	356.396	XBGCOKHJNUDFNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102483
c1(NC(=O)c2ccc(cc2)OC(=O)OCC)sc2c(CCC2)c1C#N	MCULE-9067416846,EMOLS-id_322623054	356.396	CMKWRLDKDIGNHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102484
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_346990,TIMTEC493305,ZINC22_799003,MCULE-8126291314,EMOLS-id_1478517,BAS-06261195,PC-id_1083229	356.396	UZYXRTAGKQOHTC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-102485
c1(NC(=O)COC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	PC-id_1646666,CoCoCo_6266417,MCULE-8943665561,ZINC22_1917343,EMOLS-id_5642870,ChEMBL-DNDi_CHEMBLF3099-0066	356.396	HLFDIQCBSKNXNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102486
c1(NC(=O)COC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-2529181109,ZINC22_1904738,EMOLS-id_5642589,PC-id_1638300	356.396	ZYPOMSCGKBLXGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102487
CCOc1ccc(cc1OC)C(N1C(=O)c2c(C1=O)csc2)CC#N	PC-id_68470410,SCHEMBL2995719	356.396	WSMRMFLFRAXTJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102488
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)csc2)CC#N	SCHEMBL2992015,PC-id_68469011	356.396	IZRUZJGAMXXGDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102489
COc1ccc(c2nnc(COC(=O)c3cc4c(s3)CCC4)o2)cc1	MCULE-2486879986,CoCoCo_4345303,PC-id_27909066,ZINC22_18259954,EMOLS-id_24482619	356.396	CSVMHSIEYYQAOZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102490
COc1ccccc1c1noc(COC(=O)c2cc3c(s2)CCC3)n1	EMOLS-id_16780401,MCULE-3317761909,ZINC22_7047382,CoCoCo_3650794,PC-id_8187330	356.396	BVPXKNVLDSSXPL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102491
COc1cc(ccc1OCC(=O)O)/C=Nc1sc2c(c1C#N)CCC2	CoCoCo_1936855	356.396	XBGCOKHJNUDFNA-UKWGHVSLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102492
COc1cccc(c2noc(COC(=O)c3cc4c(s3)CCC4)n2)c1	EMOLS-id_24021203,ZINC22_5308156,MCULE-9686242944,CoCoCo_2840756,PC-id_7623607	356.396	VJGKCBBVOUDBCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102493
COC(=O)c1cc(C(=O)c2ccccc2)n2c(=O)/c(=CN(C)C)/sc12	ZINC22_3272823	356.396	KXASYSVTJKVWDE-GXDHUFHOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102494
COC(=O)c1cc(n2c1sc(=CN(C)C)c2=O)C(=O)c1ccccc1	MCULE-4238584841,EMOLS-id_26156743,ChEMBL-DNDi_CHEMBL1308669	356.396	KXASYSVTJKVWDE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102495
COC(=O)c1c(NC(=O)COc2ccccc2C#N)sc2c1CCC2	CoCoCo_2961191,ZINC22_3290703,MCULE-2643486754,EMOLS-id_3080735,PC-id_2406284	356.396	IZVWERBJCKCRFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102496
NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1cn2CCSc2n1	ZINC22_95382676,MCULE-6649469039,EMOLS-id_46639006,PC-id_72915593	356.396	YJBHPAHOKNXDCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102497
O=C1NC(C(=O)N1)Cc1ccc(cc1)OC(=O)c1sc2c(c1)CCC2	MCULE-4299002309,PC-id_102560682	356.396	KNBUCKOBFVTXFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102498
O=C1NC(=O)[C@@H](Cc2ccc(OC(=O)c3cc4c(s3)CCC4)cc2)N1	PC-id_99700559,ZINC22_155133113	356.396	KNBUCKOBFVTXFE-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102499
O=C1NC(=O)[C@H](Cc2ccc(OC(=O)c3cc4c(s3)CCC4)cc2)N1	PC-id_99700560,ZINC22_155133214	356.396	KNBUCKOBFVTXFE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102500
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C#N)C(=O)OC	PC-id_16540646	356.396	ISAJOCMDAZKSHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102501
s1c2c(CCC2)c(c1NC(=O)COc1cc(ccc1)C#N)C(=O)OC	PC-id_45674299	356.396	COQYEDUDOGNOFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102502
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)CO)C#N	PC-id_8524856	356.396	LQDFCEGHWNQGME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102503
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(ccc1O)C)C#N	PC-id_7771283	356.396	JHQPBOGJHZHXCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102504
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(O)cc(cc1)C)C#N	PC-id_7567755	356.396	FSTDCAWHPYRWKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102505
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(O)c(ccc1)C)C#N	PC-id_8814618	356.396	KHCKKRLNGBMZDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102506
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OC)cccc1)C#N	PC-id_1667625	356.396	NKNRGJACRONIMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102507
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](O)c1ccccc1)C#N	PC-id_7821478	356.396	JEEOMULYHRRSBS-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102508
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H](O)c1ccccc1)C#N	PC-id_7821481	356.396	JEEOMULYHRRSBS-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102509
s1c2CCCc2c(c1NC(=O)COC(=O)C(O)c1ccccc1)C#N	PC-id_78548171	356.396	JEEOMULYHRRSBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102510
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccccc1)C#N	PC-id_7980266	356.396	HMUGJKOCAMKNHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102511
S1Cc2c(nn(c2NC(=O)C(=O)OCC)CC(=O)NCCOC)C1	PC-id_44053050	356.397	ZCBCEYIQKCOBEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102512
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N(C)C)sc2c(CCC2)c1C#N	MCULE-5506733665,EMOLS-id_322626883	356.399	DNQPRJHRFAOOTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102513
c1(NC(=O)COc2cccnc2NC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_321802362,MCULE-9225126915	356.399	NQBWNYZBKWNDQT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102514
COc1cccc(c1)c1nn(c(c1)C(=O)Nc1onc2c1CSC2)C	PC-id_121089553	356.399	WRONVCFXWWXOEZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102515
O=C(c1c2c(sc1C(=O)N)N=CC2=Cc1ccc[nH]1)N1CCOCC1	PC-id_145832497	356.399	XGDXKKKMRYQMED-UHFFFAOYSA-N	00000011110010000001000010000000000000000000000000000000	25-01-102516
s1c2CCCc2nc1NC(=O)c1ccc(OCc2nc(on2)C)cc1	PC-id_33040930	356.399	KXZYNSNZKDFBOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102517
COc1ccc(c2cn(CC(=O)Nc3nc4c(s3)CCC4)nn2)cn1	ZINC22_640970533,PC-id_145879635,MCULE-5200033916,EMOLS-id_316948327	356.402	GWUXBKOKFKKQJI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-102518
N#Cc1c(NC(=O)c2cncc(c2)N2CCOCC2)nc2n1CCS2	EMOLS-id_98127723	356.402	OPMUYQQYLMVRST-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-102519
CC(CC(=O)Nc1sc2CCCc2c1C#N)C(=O)c1cccc(F)c1	MCULE-2986422810,EMOLS-id_327953589	356.414	MDGFZSOONYZORU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102520
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC(=O)C	EMOLS-id_330979518,MCULE-4576592245	356.416	GHYOGOXJKWHYFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102521
CCCCNOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_118604666,SCHEMBL17369573	356.416	BEJMIVAOFWQIBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102522
CCOC(=O)CC1CCn2c1cc(c2C(=O)c1c(cc2n1CCC2)O)C	PC-id_136116408	356.416	IXYPYNNQBGOCJT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102523
NCCCCOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_144985174	356.416	LVHNLNXLVKQKGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102524
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)CCCc1ccc(N)cc1)C	PC-id_10546173	356.416	OQIVTRJAUDZTJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102525
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)Cc1csc(C)n1	EMOLS-id_43173870,ZINC22_72478763,PC-id_70780998,MCULE-2987607685	356.417	GNAKPHKUTNBIFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102526
c1(C(=O)NCCc2sc3c(CCC3)n2)[nH]nc(c2ccc(cc2)F)c1	ZINC22_91320655,PC-id_70713724,MCULE-9861152916,EMOLS-id_44702853	356.417	DUWXYJKIMQECIY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102527
c1(NC(=O)Cc2c(C)[nH]nc2c2ccc(cc2)F)sc2c(CCC2)n1	MCULE-4495848842,EMOLS-id_323272942	356.417	LCJDZPILWQNQHU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102528
C[C@H](NC(=O)c1ccc(c2ccccc2F)s1)c1nnc2n1CCC2	PC-id_95200762,ZINC22_67677243	356.417	RGVUCGWCCBJDTF-NSHDSACASA-N	00000010100100110001100010000000000000000000000000000000	25-01-102529
C[C@@H](NC(=O)c1ccc(c2ccccc2F)s1)c1nnc2n1CCC2	PC-id_95200763,ZINC22_67677248	356.417	RGVUCGWCCBJDTF-LLVKDONJSA-N	00000010100100110001100010000000000000000000000000000000	25-01-102530
C[C@H](NC(=O)c1ccc(c2ccc(F)cc2)s1)c1nnc2n1CCC2	PC-id_95593414,ZINC22_71846608	356.417	NBQMLIZPRZQKAS-NSHDSACASA-N	00000010100100110001100010000000000000000000000000000000	25-01-102531
C[C@@H](NC(=O)c1ccc(c2ccc(F)cc2)s1)c1nnc2n1CCC2	PC-id_95593415,ZINC22_71846609	356.417	NBQMLIZPRZQKAS-LLVKDONJSA-N	00000010100100110001100010000000000000000000000000000000	25-01-102532
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(c2ccc(F)cc2)s1	MCULE-7238744965,EMOLS-id_30252445,PC-id_45887278,ZINC22_40092647	356.417	GCUOBBLACPNWLM-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-102533
COc1ccc(cc1)OCCS(=O)(=O)Nc1c2CSCc2no1	PC-id_90518452	356.417	YMQIPROMEOQXTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102534
Fc1ccc(cc1)c1ccc(s1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_36999567,MCULE-3018759016,PC-id_56808776	356.417	NBQMLIZPRZQKAS-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-102535
O=C(c1ccc(s1)c1ccccc1F)NC(c1nnc2n1CCC2)C	MCULE-4594044575,EMOLS-id_44549834,PC-id_71885736	356.417	RGVUCGWCCBJDTF-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-102536
[O-]/C(=c
/n2[n+](c(c(c2C)C)C)c(c1)C(=O)c1ccccc1)/c1ccccc1	PC-id_21784637	356.417	DUQOLQNWVJDXGZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102537
S1(=O)(=O)Cc2c(nn(c2OS(=O)(=O)c2ccccc2)C(C)C)C1	PC-id_59050207	356.417	ZWXCHRORSHZKLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102538
c12CN(Cc1nn(C(C)(C)C)c2C(=O)NC)C(=O)OCc1ccccc1	MCULE-3205836520,EMOLS-id_324354656	356.419	SNAWSYPBTHNJKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102539
c1(C(=O)N2CCC(CC2)COC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-1847722937,EMOLS-id_316325182	356.419	WMNDFSKFNAAFNR-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102540
c1(C(=O)N2CCC(CC2)COC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-8038954269	356.419	WMNDFSKFNAAFNR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102541
c1(C(=O)N2CC[C@@H]([C@H](CC2)Oc2cccnc2C)O)c2CCCc2[nH]n1	PC-id_110128582,ZINC22_257270330,EMOLS-id_44414320,BDE-33891699,MCULE-4050177821	356.419	MTTVKDXBISFRHH-RDJZCZTQSA-N	00000010100000101101000010000000000000000000000000000000	25-01-102542
c1(C(=O)Nc2ccc(cc2)OCCN2CCOCC2)c2CCCc2n[nH]1	STOCK7S-62576,EMOLS-id_104691623,ZINC22_409414785,EMOLS-id_93421128,PC-id_121239129,MCULE-9200431531	356.419	OFZNTZUEUGRATH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102543
c1(C(=O)Nc2cccc(OCCN3CCOCC3)c2)c2CCCc2n[nH]1	PC-id_110089365,BDD-25323812,STOCK7S-62144,EMOLS-id_93422370,EMOLS-id_46576517,MCULE-3068859365,SPECS-id_AO-022/43514712,ZINC22_257239821	356.419	HQXYGBXIJMJGGO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102544
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccccc2OCC)n1	MCULE-8123915926	356.419	VWZSIWDLWKNYPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102545
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccccc2OCC)n1	EMOLS-id_316328765,MCULE-3749240382	356.419	VWZSIWDLWKNYPQ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102546
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)Cc3cccc(OC)c3)C2)n1	EMOLS-id_316329789,MCULE-6249756908	356.419	ITKNEFLWSAXRGH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102547
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)COCc3ccccc3)C2)n1	EMOLS-id_316328762,MCULE-7258911848	356.419	ZHIHSTJKACVBNO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102548
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)Cc3cccc(OC)c3)C2)n1	MCULE-7840842559	356.419	ITKNEFLWSAXRGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102549
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)COCc3ccccc3)C2)n1	MCULE-3565710288	356.419	ZHIHSTJKACVBNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102550
c1(C(=O)N(C)C)n(C(C)C)nc2CN(C(=O)OCc3ccccc3)Cc12	EMOLS-id_324353643,MCULE-3707798359	356.419	HGZAPRHIMBSULM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102551
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(cc2C)C)n1	MCULE-2473105999	356.419	JXANFVXQGTVYFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102552
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2cc(C)cc(C)c2)n1	MCULE-2506253449	356.419	TZZFEQVROUJHGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102553
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(cc2C)C)n1	MCULE-9552001258,EMOLS-id_316330298	356.419	JXANFVXQGTVYFB-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102554
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cc(C)cc(C)c2)n1	MCULE-8764572542,EMOLS-id_316334386	356.419	TZZFEQVROUJHGE-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102555
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3ccccc3C)C2)n1	MCULE-4446544626,EMOLS-id_316333373	356.419	ONJQFJBUWOUMGS-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102556
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)CCc3ccccc3)C2)n1	MCULE-1867325367,EMOLS-id_316333885	356.419	PFCGDKPNQJVEOQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102557
c1(C(=O)NCCOC)cc2n(CC(NC(=O)CCc3ccccc3)C2)n1	MCULE-6728557474	356.419	PFCGDKPNQJVEOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102558
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccc(cc1C)C	EMOLS-id_316324149,MCULE-1951916624	356.419	FLUOJERAPJSRHW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102559
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)Cc3ccccc3C)Cc12	EMOLS-id_316323123,MCULE-7733360928	356.419	QYXJPDSWWKOPCN-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102560
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)CCc3ccccc3)Cc12	EMOLS-id_316324658,MCULE-7570631795	356.419	MJEULWPPWDVAIQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102561
c1(C(=O)NCCOC)cnn2CC(NC(=O)Cc3ccccc3C)Cc12	MCULE-8019716159	356.419	QYXJPDSWWKOPCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102562
Cc1ccc(cc1)C(=O)NCc1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C	SCHEMBL19358427	356.419	MKEWRTTYQPJYHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102563
CC1CCC(Oc2cc(C/N=C(/O)c3cc4n(n3)CCO4)ccn2)CC1	EMOLS-id_99586031,ZINC22_329571407,MCULE-4873805534	356.419	MQSOITYZPQURSL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102564
CCCOc1ccc(C(=O)CCC(=O)NCc2nnc3n2CCC3)cc1	EMOLS-id_36260943,MCULE-9518985159,PC-id_38170159,ZINC22_30997838	356.419	XZUVFUZFHCGUBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102565
CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)N(c1ccccc1CC)CC	PC-id_69251736,SCHEMBL4946526	356.419	RUKLXFSNEYWVAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102566
CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC	SCHEMBL4946521,PC-id_69251731	356.419	OECXCAXRVQDVRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102567
CCOC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_68440722,SCHEMBL2918786	356.419	MYZVOKBDQLFMMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102568
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_69451548,SCHEMBL5463688	356.419	YUKCDPLXWIGSFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102569
CN([C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)C(=O)c1n[nH]c2CCCc12	EMOLS-id_171638778,PC-id_110125792,ZINC22_257236423,MCULE-6133604476,BDE-33845770	356.419	HCCOMYMPMJJKMR-JFIYKMOQSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102570
COc1cccc(c1)C1CC(CN1C(=O)NC1CC(n2c1ncc2)C)O	EMOLS-id_318344000	356.419	SSFCSTSPQXKWIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102571
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1ccc(cc1C)C	MCULE-5440360051	356.419	FLUOJERAPJSRHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102572
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)CCc1ccccc1	MCULE-4441320286	356.419	MJEULWPPWDVAIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102573
O1C(CCC1)COc1ccc(C(=O)NCCc2n3CCCc3nn2)cc1	PC-id_51114963,MCULE-7163500531,EMOLS-id_31935462	356.419	LCKKEPZYGCTWOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102574
O=C(C1Oc2n(C1(C)C(C)C)nc(n2)Oc1ccccc1)NCC1CC1	PC-id_145660786	356.419	PNZQCCGXBAOXAG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-102575
O(C(C)C)c1c(OC)cc(/C=C/C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52371667	356.419	QUCZPOVNZNJDAD-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102576
O(C(C)C)c1c(OC)cc(C=CC(=O)NCc2n3CCCc3nn2)cc1	PC-id_75835040	356.419	QUCZPOVNZNJDAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102577
O=C(NC1CC(n2c1ncc2)C)NC(Cc1ccccc1)CCC(=O)O	PC-id_122016626	356.419	ZQJOWDMOJHIFBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102578
O=C(NCCc1nnc2n1CCC2)c1ccc(OC[C@H]2CCCO2)cc1	PC-id_52178103,ZINC22_42502703	356.419	LCKKEPZYGCTWOC-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102579
O=C(NCCc1nnc2n1CCC2)c1ccc(OC[C@@H]2CCCO2)cc1	ZINC22_42502700,PC-id_52178102	356.419	LCKKEPZYGCTWOC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102580
O=C(NCCN1CCOCC1)c1nc2c(o1)CN(Cc1ccccc1)C2	ZINC22_96266012,PC-id_97525775	356.419	OVHOYUAOBKIYEI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102581
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)C#Cc1ccccc1	SCHEMBL2917513,PC-id_68440338	356.42	KDKQKHQGGHQWTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102582
CN(S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_316739589	356.421	DRRVTRYLLSUIBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102583
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)NC(C)CC	EMOLS-id_207863264,MCULE-7813530685	356.422	ZTIFBIBRFBVDDX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102584
c1(C(=O)N2CCCN(CC2)c2nc(C)cc(=O)[nH]2)c2CCCc2n(C)n1	EMOLS-id_320480778,MCULE-4307177023,PC-id_136370497	356.422	WACLRRVACNZILW-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-102585
c1(C(=O)NCC2(CCCN(C2)c2ncnc(C)c2)O)c2CCCc2[nH]n1	PC-id_110158703,LAS-33800099,MCULE-6100093347,EMOLS-id_171721333	356.422	SEQWUIDKSLPVHO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102586
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)NCC(C)C)Cc12	MCULE-3924878732,EMOLS-id_316320574	356.422	JHZOIQGZXLFBSR-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102587
c1(C(=O)N(C)CC2(CCCN(c3cnccn3)C2)O)c2CCCc2[nH]n1	EMOLS-id_48378984,BDE-33792537,PC-id_110123488,MCULE-9464408866	356.422	SXIOQPAYXWZCKC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102588
c1(C(=O)N(C)CC2(CCCN(c3ncccn3)C2)O)c2CCCc2[nH]n1	EMOLS-id_44406664,BDE-33793169,PC-id_110123631,MCULE-3705901162	356.422	YVKKNJQDEDCWHL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102589
c1(C(=O)N(C)CC2(O)CCN(c3ncnc(C)c3)C2)c2CCCc2[nH]n1	EMOLS-id_48379560,MCULE-4610076766,BDE-33801402,PC-id_110124381	356.422	QAFHANIMBPTQBA-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102590
c1(C(=O)N(C)CCNc2ncnc(C3CCOC3)c2)c2CCCc2[nH]n1	PC-id_119064527,EMOLS-id_82715849,MCULE-7088268983	356.422	PFLFHWINBXEGRN-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102591
Cc1cc(N2CCC[C@@](O)(CNC(=O)c3n[nH]c4c3CCC4)C2)ncn1	ZINC22_257302832	356.422	SEQWUIDKSLPVHO-GOSISDBHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102592
Cc1cc(N2CCC[C@](O)(CNC(=O)c3n[nH]c4c3CCC4)C2)ncn1	ZINC22_257302833	356.422	SEQWUIDKSLPVHO-SFHVURJKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102593
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3n[nH]c4c3CCC4)C2)ncn1	ZINC22_257289796	356.422	QAFHANIMBPTQBA-GOSISDBHSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102594
Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3n[nH]c4c3CCC4)C2)ncn1	ZINC22_257289797	356.422	QAFHANIMBPTQBA-SFHVURJKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102595
Cc1ncccc1OC1(CCNCC1)C(=O)NCc1nnc2CCCn12	ZINC22_77516809,EMOLS-id_43599107,PC-id_70777261,MCULE-3183995627	356.422	PYETZNOQNDYBEN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102596
CC(CNC(=O)NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1)C	MCULE-9781123565	356.422	JHZOIQGZXLFBSR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102597
C[C@@H]1C[C@@H](CN=c2[nH]nc(C3CC3)o2)CN1C(=O)c1cnn2c1CCC2	ZINC22_1875407778	356.422	HSVWSBGCKSDKIL-NEPJUHHUSA-N	00100010100000000001100010000000000000000000000000000000	25-01-102598
C[C@H]1C[C@H](CN=c2[nH]nc(C3CC3)o2)CN1C(=O)c1cnn2c1CCC2	ZINC22_1875407779	356.422	HSVWSBGCKSDKIL-NWDGAFQWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-102599
C[C@H]1C[C@@H](CN=c2[nH]nc(C3CC3)o2)CN1C(=O)c1cnn2c1CCC2	ZINC22_1875407780	356.422	HSVWSBGCKSDKIL-RYUDHWBXSA-N	00100010100000000001100010000000000000000000000000000000	25-01-102600
C[C@@H]1C[C@H](CN=c2[nH]nc(C3CC3)o2)CN1C(=O)c1cnn2c1CCC2	ZINC22_1875407781	356.422	HSVWSBGCKSDKIL-VXGBXAGGSA-N	00100010100000000001100010000000000000000000000000000000	25-01-102601
CCn1ccnc(N2CCC(NC(=O)c3n[nH]c4c3CCC4)CC2)c1=O	EMOLS-id_316039420,MCULE-6560514961,ZINC22_328652391	356.422	WLUPALHSABRVRX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102602
CCN1C(=O)C[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1nccn1C	ZINC22_886062959,MCULE-3696875850,EMOLS-id_316025988	356.422	AXJSZDREQHWAEN-MEDUHNTESA-N	00000010100000000001100010000000000000000000000000000000	25-01-102603
CCn1ncc(c1C)C(=O)N1Cc2c(C1)c(nn2C)C(=O)N1CCCC1	EMOLS-id_207863234,MCULE-9577790621	356.422	WEEMQSHCEDCLLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102604
CCNC(=O)NN1Cc2c(C1(C)C)n[nH]c2NC(=O)Cc1ccccc1	PC-id_68441817,SCHEMBL2922049	356.422	RKZJUHBAPUIUHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102605
CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)c3cc4c([nH]3)CCC4)C2)cc[nH]1	MCULE-1509344571,ZINC22_1875401959,PC-id_146113461,EMOLS-id_323960013	356.422	XGXPWBVOEHNEOU-CABCVRRESA-N	00000010100000100001100010000000000000000000000000000000	25-01-102606
CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)c3ccn4c3CCC4)C2)cc[nH]1	EMOLS-id_323958991,PC-id_146113475,MCULE-1953749093,ZINC22_1875401999	356.422	YBZDHSFOKADWBA-HIFRSBDPSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102607
CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1n[nH]c2c1CCC2	ZINC22_257307134	356.422	SXIOQPAYXWZCKC-GOSISDBHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102608
CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1n[nH]c2c1CCC2	ZINC22_257307135	356.422	SXIOQPAYXWZCKC-SFHVURJKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102609
CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)c1n[nH]c2c1CCC2	ZINC22_257338009	356.422	YVKKNJQDEDCWHL-GOSISDBHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102610
CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)c1n[nH]c2c1CCC2	ZINC22_257338010	356.422	YVKKNJQDEDCWHL-SFHVURJKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102611
CN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)c1n[nH]c2c1CCC2	ZINC22_426486188	356.422	PFLFHWINBXEGRN-GFCCVEGCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102612
CN(CCNc1cc([C@H]2CCOC2)ncn1)C(=O)c1n[nH]c2c1CCC2	ZINC22_426486189	356.422	PFLFHWINBXEGRN-LBPRGKRZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102613
COCc1nc(C)cc(N2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_1875339135	356.422	ANLZZNHLIBRYRB-LBPRGKRZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102614
CO[C@H]1C[C@@H](CNC(=O)c2c3c(nn2C)CCC3)N(c2ccncn2)C1	EMOLS-id_323998432,PC-id_146115766,MCULE-6295631130,ZINC22_913787498	356.422	CPYHPPHUDAJHST-STQMWFEESA-N	00000010100000100001100010000000000000000000000000000000	25-01-102615
O=C(c1cnn2c1CCC2)N1CCC[C@H]1Cn1cc([C@@H]2CCCO2)nn1	ZINC22_1875407636	356.422	FIPQCDGNYPGLCY-GUYCJALGSA-N	00000010100000000001100010000000000000000000000000000000	25-01-102616
O=C(c1cnn2c1CCC2)N1CCC[C@H]1Cn1cc([C@H]2CCCO2)nn1	ZINC22_1875407637	356.422	FIPQCDGNYPGLCY-SUMWQHHRSA-N	00000010100000000001100010000000000000000000000000000000	25-01-102617
O=C(Nc1ccccc1CN1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_97873299	356.422	HIHDDNAGGWPFDC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102618
O=C(Nc1ccc(cc1)NC1CC(n2c1ncn2)C)CN1CCOCC1	EMOLS-id_279085593	356.422	AIHHZMXVWGAAMS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102619
O=C(N(Cc1ccccn1)CC1CCCO1)NCc1nnc2n1CCC2	EMOLS-id_177504140,PC-id_121512823,MCULE-8534532717	356.422	GYZWIDOBYPHBND-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102620
O=C(NCc1cccnc1OC1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_42863664,MCULE-2314823764,ZINC22_48372504,PC-id_71685807	356.422	OXGBTRHLKMCHDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102621
O=C(NCc1n2CCCc2nn1)Nc1ccc(C(=O)N(CC)CC)cc1	PC-id_60448930	356.422	DLHRYFHDXMOCPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102622
O=C(NCc1n2CCCc2nn1)Nc1ccc(C(=O)NCC(C)C)cc1	PC-id_60487458	356.422	OBHRPKQRMOPSQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102623
O=C(NCc1n2CCCc2nn1)Nc1ccc(C(=O)NC(CC)C)cc1	PC-id_60569788	356.422	ZQIDOJJMYIDABG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102624
O=C(NC(C)(C)C)c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_55698430	356.422	WXFFAQSKGPMYNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102625
O=C(NC(C)(C)C)c1cc(NC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_60485427	356.422	OFGCZNVYSDMLRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102626
Cc1nnc2CC(CNC(=O)CN3CCN(CC3)c3ncccn3)Cn12	EMOLS-id_317855944,MCULE-5584901357	356.425	OOORWKOZAMJQSY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102627
Cc1nnc2n1C[C@H](CNC(=O)CN1CCN(c3ncccn3)CC1)C2	ZINC22_1772815578	356.425	OOORWKOZAMJQSY-AWEZNQCLSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102628
Cc1nnc2n1C[C@@H](CNC(=O)CN1CCN(c3ncccn3)CC1)C2	ZINC22_1772815579	356.425	OOORWKOZAMJQSY-CQSZACIVSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102629
N#Cc1c(NC(=O)Cn2nnc(c3cccs3)n2)sc2c1CCC2	ZINC22_9737483,MCULE-8583612495,PC-id_16351619,EMOLS-id_3695819,CoCoCo_3944530	356.425	XNCRSWHESYLAQY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-102630
N#Cc1c(NC(=O)Cn2nnc(c3ccsc3)n2)sc2c1CCC2	EMOLS-id_3697531,PC-id_9128114,MCULE-3370568143,CoCoCo_4137461,ZINC22_8000106	356.425	VYICKKCPGXRODX-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-102631
CC(C)(C)OC(=O)C1(Cc2c(C1=O)ccs2)CC(=O)c1ccccc1	PC-id_134842286	356.435	XYMLZXYVCYPLNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102632
CC(C)(C)OC(=O)C1(Cc2c(C1=O)scc2)CC(=O)c1ccccc1	PC-id_134842077	356.435	JBZMYQQJSGTYOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102633
CC(C)(C)OC(=O)C1(Cc2cscc2C1=O)CC(=O)c1ccccc1	PC-id_134841887	356.435	CYHXPRYGWZZVLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102634
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)CN1CCCCCC1	PC-id_56745638,EMOLS-id_36582048,MCULE-8518883214,ZINC22_67756613	356.437	OYEKXTSYFLKFTR-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-102635
c1(c2CCCc2[nH]n1)C(=O)N(C)C1CCCN(Cc2ccccc2F)C1	MCULE-6512079170,PC-id_45246706,EMOLS-id_20724953	356.437	BYFXCBHXJBZOCW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102636
c1(NC(=O)CN(CCOC)CCOC)sc2c(CCC2)c1C(=O)O	EMOLS-id_179130967,MCULE-4283664740,PC-id_28866128	356.437	UFDNQIZELSQHQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102637
Cc1ccc(cc1F)C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	PC-id_97519222,ZINC22_96259133,EMOLS-id_44369816	356.437	IMPPOXATQBHXEP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102638
CCCCCc1c2c(c(n1S(=O)(=O)O)O)C(=NC2=O)CCCCC	PC-id_136365485	356.437	CHKUHEBXEQYGTQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-102639
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)Cc1cccc(F)c1)C2	PC-id_97405337,EMOLS-id_46182031,ZINC22_96084511	356.437	ZOJRPMCXZSMBOJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102640
CN(C(=O)c1n[nH]c2c1CCC2)[C@H]1CCCN(Cc2ccccc2F)C1	CoCoCo_1608955,CoCoCo_1608953,CoCoCo_1608951,ZINC22_15065020,CoCoCo_1608957,PC-id_26394386	356.437	BYFXCBHXJBZOCW-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102641
CN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CCCN(Cc2ccccc2F)C1	ZINC22_15065019,PC-id_26394384,CoCoCo_1608958,CoCoCo_1608956,CoCoCo_1608952,CoCoCo_1608954	356.437	BYFXCBHXJBZOCW-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102642
Fc1ccc(c(c1)C)C1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422929	356.437	BCZFKXOUJNODAT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102643
Fc1ccc(cc1)NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109973	356.437	YWISDIBCSJFBQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102644
O=C(C1CCCN(C1)Cc1cccc(c1)F)Nc1n(C)nc2c1CCC2	EMOLS-id_98830177	356.437	LRELZRGNCVBZJF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102645
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)N1CCOCC1	PC-id_1350808,MCULE-6587076142,ZINC22_1188761,EMOLS-id_1231035,CoCoCo_81783	356.439	CBDNKDABBHUCLY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102646
c1(c2CCCc2sc1NC(=O)C1CCCO1)C(=O)Nc1ccccc1	TIMTEC99373,MCULE-4416271871,EMOLS-id_13330900,PC-id_17173927	356.439	CILHCWGFKHMVOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102647
c1(NC(=O)c2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C#N	ZINC22_27922957,MCULE-5115030962,EMOLS-id_13109252,CoCoCo_6400464,PC-id_35279617	356.439	PFZYAQGDPZOPKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102648
c1(NC(=O)c2cc(OCC)cc(OCC)c2)sc2c(CCC2)c1C#N	EMOLS-id_322861544,MCULE-5298585859	356.439	FRQYGTDBMFJQHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102649
c1(NC(=O)C=Cc2ccccc2OCC)sc2c(CCC2)c1C(=O)N	MCULE-9844389889,PC-id_73569419	356.439	WOTOGCYQGPFFIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102650
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)N	PC-id_73551308,MCULE-2272479952	356.439	XYPIYIWEJINZKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102651
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NC	MCULE-4751230193	356.439	FCZQOLHTKKNTBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102652
c1(NC(=O)CCC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	PC-id_84418168,EMOLS-id_181348447,MCULE-1971985144	356.439	ANCVFAAGGFMDFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102653
c1(NC(=O)COc2ccccc2CC=C)sc2c(CCC2)c1C(=O)N	PC-id_1407061,MCULE-7748164071	356.439	FHVSCTZBFUEYSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102654
C(=C(C)c1ccccn1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-7409781086	356.439	HCRAMSOJTPTIMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102655
C(=C(C)c1cccnc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4710322582	356.439	UNLUBROOHYIUKY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102656
C(=C(C)c1ccncc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-2666627897	356.439	KQSQRJMREDTFQH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102657
CCCCS(=O)(=O)c1ccc2n1CCC2(C#N)C(=O)c1ccccc1	SCHEMBL11438929,PC-id_70586191	356.439	VFVDISZZLAJXKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102658
CCCCS(=O)(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C#N	PC-id_23333136,SCHEMBL11444457	356.439	KRVRKBRJFWRKBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102659
CCCCS(=O)(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C#N	SCHEMBL11444439,PC-id_23333035	356.439	ALLNYXLUSZANDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102660
CCCCS(=O)(=O)c1cccc(c1)C(=O)C1(C#N)CCn2c1ccc2	SCHEMBL11444440,PC-id_70587388	356.439	NWFSYGXDEMUCEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102661
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N)cc1	EMOLS-id_181348479,PC-id_19173124	356.439	XYPIYIWEJINZKJ-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102662
CCOC(=O)c1c(NC(=O)/C=C(C)/c2ccccn2)sc2CCCc12	EMOLS-id_328130797	356.439	HCRAMSOJTPTIMY-VAWYXSNFSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102663
CCOC(=O)c1c(NC(=O)/C=C(C)/c2cccnc2)sc2CCCc12	EMOLS-id_328090366	356.439	UNLUBROOHYIUKY-ZRDIBKRKSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102664
CCOC(=O)c1c(NC(=O)/C=C(C)/c2ccncc2)sc2CCCc12	EMOLS-id_328115455	356.439	KQSQRJMREDTFQH-VAWYXSNFSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102665
CNC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2CCCc12	EMOLS-id_334331605	356.439	FCZQOLHTKKNTBK-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102666
COc1cccc(c1)CNC(=O)c1cc2c(s1)CCN2C(=O)C1CC1	PC-id_97407211	356.439	UZBLERVCLIRSIF-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-102667
COc1cc(C)ccc1O[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)C	CoCoCo_6384485	356.439	UFSRUQKGNQKQGN-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102668
COc1cc(C)ccc1O[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)C	CoCoCo_6384486	356.439	UFSRUQKGNQKQGN-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102669
COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CCC3)c1	PC-id_40144876,CoCoCo_4669322,EMOLS-id_44062296,ZINC22_32908269,MCULE-5182878115	356.439	PTJLDAGPCKNCQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102670
COc1ccc(OCCCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	EMOLS-id_322627650,MCULE-2149311918	356.439	SNQXISZFAYWPCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102671
COc1cc(NC(=O)c2cc3c(s2)CCC3)ccc1N1CCCC1=O	MCULE-7377685844,PC-id_24232715,ZINC22_11446977,CoCoCo_4530292,EMOLS-id_17162228	356.439	UHAXVFWCDFZLAP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-102672
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CSCC1C(=O)O	MCULE-5965128134,EMOLS-id_328337823	356.439	AEJNZZOWEKWBPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102673
O=C(c1oc(nc1C)C1CC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170422	356.439	JEMPCCAYJZRJHL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-102674
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)NC(=O)C1CCCO1	PC-id_86928765	356.439	NOVQPELSWDPIEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102675
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	CoCoCo_1071479,PC-id_25754693,ZINC22_13329139	356.439	CILHCWGFKHMVOP-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102676
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_1071480,ZINC22_13329137,PC-id_25754692	356.439	CILHCWGFKHMVOP-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102677
s1c2CCCc2cc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	PC-id_78892098	356.439	XZLUYUAKKLEDSJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102678
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OCC=C)cc1	PC-id_85015599	356.439	ZICICXJTPMISJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102679
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OCC)cccc1)C(=O)N	PC-id_19207578	356.439	WOTOGCYQGPFFIW-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102680
s1c2CCCc2c(c1NC(=O)C(Oc1c(OC)cc(cc1)C)C)C#N	PC-id_45146370	356.439	UFSRUQKGNQKQGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102681
c1(NC(=O)C(=O)NCCCC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBLF2820-0694,PC-id_18586547,EMOLS-id_5625806,CoCoCo_5190602,ZINC22_10250629,MCULE-1245958697	356.44	CZZHLMQCCNHMBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102682
c1(NC(=O)C(=O)NCC(C)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_5625808,PC-id_18586548,ChEMBL-DNDi_CHEMBLF2820-0695,CoCoCo_5190603,MCULE-8030314446,ZINC22_10250631	356.44	MPMZPCSUOPYIDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102683
c1(NC(=O)C(=O)NCC(OC)OC)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617876,MCULE-8686634971,PC-id_7685484,CoCoCo_5184694,ZINC22_5438121,ChEMBL-DNDi_CHEMBLF2780-0703	356.44	RUWPHEKFVXHBCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102684
CC1(C)OCc2c1n[nH]c2C(=O)NCC1CCN(S(=O)(=O)C)CC1	ZINC22_1875317479,MCULE-7481951646,EMOLS-id_324028731,PC-id_146095599	356.44	YKEGQIHRDSXFKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102685
CCNC(=NCc1nnc2n1CCC2)NCC1(CC1)c1cccc(c1)F	PC-id_111638218	356.44	XNCMPSNANWBHPQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-102686
CCNC(=NCc1nnc2n1CCC2)NCC1(CC1)c1ccccc1F	PC-id_111791740	356.44	MXAYRBVXUBPIJL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-102687
CN=C(N1CCC(C1)Cc1ccc(cc1)F)NCc1nnc2n1CCC2	PC-id_119143614	356.44	NJMFMYGHBTYCSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102688
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCOCCO	PC-id_7685481	356.44	DPXCCRLCCZFONM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102689
c1(csc(C)n1)C(=O)N(Cc1ccco1)Cc1c2CCCc2n(C)n1	PC-id_86266509,EMOLS-id_50145194,MCULE-7448706171	356.442	DCWYUDZCNBVLGK-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-102690
c1(NC(=O)C2CC(=O)N(C)C2c2ccccc2)n(C)nc2CSCc12	MCULE-6406986888,EMOLS-id_188945078,STOCK7S-67592	356.442	OASJJQSFURNHQB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102691
c1(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)n(C)nc2CSCc12	MCULE-2254463295,STOCK7S-66953,EMOLS-id_188944170	356.442	ICCKGRCMMMEDTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102692
CN1CCN(CC1)C(=O)c1cc2c(s1)CCN2C(=O)c1cccnc1	PC-id_97442302	356.442	HQPYJKTZGDKEGK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102693
CN1C(=O)C[C@H](C(=O)Nc2c3c(nn2C)CSC3)[C@H]1c1ccccc1	ZINC22_604419034	356.442	OASJJQSFURNHQB-BLLLJJGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102694
CN1C(=O)C[C@H](C(=O)Nc2c3c(nn2C)CSC3)[C@@H]1c1ccccc1	ZINC22_604419035	356.442	OASJJQSFURNHQB-LRDDRELGSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102695
CN1C(=O)C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)[C@H]1c1ccccc1	ZINC22_604419036	356.442	OASJJQSFURNHQB-MLGOLLRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102696
CN1C(=O)C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)[C@@H]1c1ccccc1	ZINC22_604419037	356.442	OASJJQSFURNHQB-WBMJQRKESA-N	00000010100000110001100010000000000000000000000000000000	25-01-102697
Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CSC2	ZINC22_604418823	356.442	ICCKGRCMMMEDTB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102698
Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CSC2	ZINC22_604418824	356.442	ICCKGRCMMMEDTB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102699
O=C(c1scnc1C)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109530	356.442	ZOPASZIGMXOKGN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-102700
O=C(N(C1CC1)Cc1ccc(cc1)C(=O)N)Nc1sc2c(n1)CCC2	EMOLS-id_318265239	356.442	WSXUMHQECPJYEW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-102701
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Nc1cccs1	PC-id_92109572	356.442	RKHUZJFXENTESD-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-102702
s1c2CCCc2cc1C(=O)NNC(=O)C1C(NNC1)c1ccccc1	PC-id_74648800	356.442	FKVACFWHEUOESH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102703
S1Cc2c(NC(=O)C3CC3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053337	356.442	XWEMORUDFAIGMY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-102704
S1Cc2c(nn(c2NC(=O)C=CC)CC(=O)NCc2ccccc2)C1	PC-id_44053388	356.442	XQULBHCDXAVEKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102705
S1CCn2c1nc(NC(=O)c1ccc(OCCCCC)cc1)c2C#N	PC-id_60285094	356.442	XINURCHVRHFQKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102706
s1c(CN2Cc3n(ncc3C2)CCO)cnc1c1c(OC)cccc1	PC-id_77085778	356.442	IAJNIURXTCRCPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102707
s1c(C(=O)NCCN2CCCC2)cc2c1NC(=O)C2=Cc1[nH]ccc1	PC-id_59043143	356.442	YWEUAJKPUAGKRL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-102708
c1(c(C)n(nc1C)CC)c1n[nH]c(C(=O)Nc2sc3c(CCC3)n2)c1	MCULE-3938677380,EMOLS-id_323243725	356.445	GKWCYRSZHLERFG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-102709
c1(CN(C)C(=O)NCc2c[nH]nc2c2cccs2)c2CCCc2[nH]n1	MCULE-7462481344,PC-id_122559439,ZINC22_534588842,EMOLS-id_177389959	356.445	SNLAJDIEPIYSLF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-102710
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OC(C)C	EMOLS-id_330979774,MCULE-3479141448	356.459	PZYFGEWWKVNMIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102711
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)OCCC	MCULE-6602303276,EMOLS-id_330980286	356.459	TZLCYZDZYBCVKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102712
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1c(OC)cc(c(C)c1)C	MCULE-7100386926,EMOLS-id_330983090	356.459	ZCXXINMQKKTKBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102713
COCCN(CCOC)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338079,MCULE-9789548830	356.459	WZFBMOSEOOKMOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102714
CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_110668680	356.46	ZDDMNURWVAUSLA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102715
CN(CC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)S(=O)(=O)C	ZINC22_682108658,MCULE-4931250505,EMOLS-id_276225779	356.46	DWNDCIKUMINRFL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-102716
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1(c2ccccc2)CC1	MCULE-1373944963,EMOLS-id_328215932	356.46	VSGMITXQFJXRKG-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-102717
O=C(NC1CCS(=O)(=O)C1)CCNC(=O)c1sc2c(c1)CCC2	EMOLS-id_98271915	356.46	DAQSQGOBOFVNPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102718
s1c2c(CCC2)c(c1NC(=S)NCCCC(=O)OC)C(=O)OC	PC-id_9094039	356.46	LHGLKSYXFOSAMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102719
c12CN(Cc1nn(CC(C)C)c2CN(C)C)C(=O)OCc1ccccc1	EMOLS-id_324350568,MCULE-3735232673	356.462	WYGKRYFDDHOVCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102720
C1CN(CC(OC1)CN1Cc2c(C1)n(nc2)CCO)Cc1ccccc1	PC-id_91830059	356.462	DRTHYVUMJDPLOC-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-102721
c1(C(=O)NCCCN(CC)Cc2ccccc2)cc2n(C[C@@H](OC)C2)n1	MCULE-8443417604,EMOLS-id_316336990	356.462	LQAFDCKPFTZQIO-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102722
CC(C)(C)c1ccccc1OCCN(C)C(=O)c1n[nH]c2c1CN(C2)C	SCHEMBL16127930,PC-id_86272754	356.462	HAGSLODHCFMXID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102723
C[C@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1NC(=O)C1(C2CC2)CCC1	ZINC22_1875408517	356.462	YIXVKPCMQXUVCP-DZGCQCFKSA-N	00101010100000000001100010000000000000000000000000000000	25-01-102724
C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1NC(=O)C1(C2CC2)CCC1	ZINC22_1875408518	356.462	YIXVKPCMQXUVCP-HIFRSBDPSA-N	00101010100000000001100010000000000000000000000000000000	25-01-102725
C[C@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1NC(=O)C1(C2CC2)CCC1	ZINC22_1875408519	356.462	YIXVKPCMQXUVCP-ZFWWWQNUSA-N	00101010100000000001100010000000000000000000000000000000	25-01-102726
C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1NC(=O)C1(C2CC2)CCC1	ZINC22_950648677	356.462	YIXVKPCMQXUVCP-UKRRQHHQSA-N	00101010100000000001100010000000000000000000000000000000	25-01-102727
CCOc1ccc(cc1)C1(CCOCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_319198859	356.462	UVRCQSCXRHXJFJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102728
CN1CCCC(C1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109309	356.462	LJCQZMSQJNQZGM-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-102729
Cn1nc2c(c1C(=O)N1C[C@H]3[C@H](NC(=O)CCC4CCC4)[C@H]3C1)CCC2	MCULE-2054819977,ZINC22_1615058511,EMOLS-id_317058381	356.462	PPENEHUVQYNSIE-HWWDLCQESA-N	00101010100000000001010010000000000000000000000000000000	25-01-102730
CN(C(=O)c1cnc2n1CCC2)[C@@H]1CCN(C(=O)[C@@]23CCCC[C@H]2C3)C1	ZINC22_1875406538	356.462	GSSQNWQJFNSSMA-BXTJHSDWSA-N	00100010100010000001010010000000000000000000000000000000	25-01-102731
CN(C(=O)c1cnc2n1CCC2)[C@@H]1CCN(C(=O)[C@]23CCCC[C@H]2C3)C1	ZINC22_1875406539	356.462	GSSQNWQJFNSSMA-MDOVXXIYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-102732
CN(C(=O)c1cnc2n1CCC2)[C@@H]1CCN(C(=O)[C@@]23CCCC[C@@H]2C3)C1	ZINC22_1875406540	356.462	GSSQNWQJFNSSMA-STXHMFSFSA-N	00100010100010000001010010000000000000000000000000000000	25-01-102733
CN(C(=O)c1cnc2n1CCC2)[C@@H]1CCN(C(=O)[C@]23CCCC[C@@H]2C3)C1	ZINC22_1875406541	356.462	GSSQNWQJFNSSMA-SXGZJXTBSA-N	00100010100010000001010010000000000000000000000000000000	25-01-102734
COc1ccc(cc1)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)C	GD-id_ZINC07668323,PC-id_8778414	356.462	PEWKFFUQMMXOCH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-102735
N#CCSCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCC2	MCULE-4012129822,EMOLS-id_320310502,PC-id_145886079,ZINC22_123733814	356.462	OUFBLPKKUAURNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102736
o1c(c(CN2CCCC2)cc1C(=O)N(Cc1n[nH]c2c1CCC2)C)CC	PC-id_50960923	356.462	RXNRIJDPBQCNNQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-102737
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1	PC-id_54314862,BindingDB_PC-id_54314862	356.462	SNLRWEAHIJHWLJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102738
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1c(C)noc1C	PC-id_92109878	356.462	ZHECYROFYPFINC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102739
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)NC1CCCCC1	PC-id_92109563	356.462	IRNPWBYPLFEAEG-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-102740
s1c2CCCc2cc1C(=O)Nc1scc(n1)c1ccc(OC)cc1	PC-id_8747494	356.462	RKEQZWYEORWGKH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102741
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(OC)ccc1)C)C#N	PC-id_7594365	356.462	DRFOZZIQAXWTKL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-102742
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCOc1ccccc1)C)C#N	PC-id_8797994	356.462	RDERAXCJNYRZQR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-102743
O=C(C1CSCN1S(=O)(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_100201266	356.464	VZYSUNJCBIDHJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102744
O=C(C1CSCN1S(=O)(=O)c1cnc2n1CCC2)N(C1CC1)C	EMOLS-id_100201269	356.464	JURZDANNLMKHTI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-102745
O=C(C1CSCN1S(=O)(=O)c1cnc2n1CCC2)NCC1CC1	EMOLS-id_100203177	356.464	GKNKHFONOYYAJL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-102746
c12SCCn1cc(CNC(=O)c1csc(Cc3ccccc3)n1)n2	ZINC22_97674393,EMOLS-id_49666958,MCULE-9820937232,PC-id_74243851	356.465	FUDMVZNOBBRLOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102747
c12SCCn1cc(CNC(=O)Cc1csc(c3ccccc3)n1)n2	EMOLS-id_232836451,MCULE-7720191711,ZINC22_827857612	356.465	DQCHWVJRACZZOQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102748
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1nccn1CCN(C)C	PC-id_72939554,MCULE-3962069861,EMOLS-id_46651326	356.465	KKWDSNTVDYWVKM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102749
C1c2c(CS1)n(nc2)CC(=O)NCc1cncc(c1)c1cscc1	PC-id_90628013	356.465	HBIBGNLNQXUJHF-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-102750
c1(NC(=O)c2c(C)nc(c3ccccc3)s2)n(C)nc2CSCc12	MCULE-5597650230,EMOLS-id_44207842,ZINC22_85431233,PC-id_71703645,STOCK7S-32100	356.465	GYQDGHPRNHMYNS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102751
c1(NC(=O)Cc2csc(c3ccccc3)n2)n(C)nc2CSCc12	EMOLS-id_44207009,MCULE-3519197251,STOCK7S-31650,PC-id_71702166,ZINC22_79478271	356.465	BANHMKCGPXRJPB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102752
c1(sc2c(CCC2)n1)NC(=O)c1csc(NCc2ccccc2)n1	MCULE-3643121891,EMOLS-id_323436921	356.465	OJWOVIMWNBNPLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102753
Cc1cnn(C2CCN(C(=O)Nc3c4c(nn3C(C)C)CCC4)CC2)c1	ZINC22_2325740183	356.465	OOTZZAUEKMLXDT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102754
CC(C)Cn1nc(ccc1=O)N1CCN(Cc2n[nH]c3CCCc23)CC1	MCULE-3323355332,EMOLS-id_337750194,ZINC22_2298041240	356.465	OEUNBWIZUGETFN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102755
CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1N[C@@H](C)c1cc2n(n1)CCC2	ZINC22_658051098	356.465	PXUNQCSLKPYFTQ-ZBQZNYHESA-N	00000010100010000001100010000000000000000000000000000000	25-01-102756
CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1N[C@H](C)c1cc2n(n1)CCC2	ZINC22_658051099	356.465	PXUNQCSLKPYFTQ-ZXYWRSMDSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102757
CCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCC2	PC-id_109628609	356.465	DHDLHDZODWGQGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102758
CCNC(=NCc1ccc(cc1OCC)C)NCc1nnc2n1CCC2	PC-id_109680615	356.465	NOTBVMBGTLMDFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102759
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)OCC)C	PC-id_111274893	356.465	GQORDPLCZXXQCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102760
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(c(c1)OC)C	PC-id_111588413	356.465	VKIKDDGPSCZXBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102761
CCNC(=NCc1nnc2n1CCC2)NCCc1cc(C)ccc1OC	PC-id_111020501	356.465	IYXMBTJZVGQRPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102762
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1cccc(c1)C)C	PC-id_111501859	356.465	OVLKNHUNDQSNOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102763
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1ccccc1C)C	PC-id_111502883	356.465	DOHHEPCSDUFNIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102764
CNc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145111657	356.465	FHXFATCCNDJOFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102765
CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97210624,ZINC22_95392100	356.465	KKWDSNTVDYWVKM-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102766
CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_97210625,ZINC22_95392101	356.465	KKWDSNTVDYWVKM-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102767
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1n[nH]c2c1CCC2	MCULE-7197415599,EMOLS-id_112035176,ZINC22_328616988	356.465	CFTXYHLCHZFNKG-SCLBCKFNSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102768
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OC(C)C)C	PC-id_109629983	356.465	PTCBCYLIPNCBGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102769
CN=C(NCc1nnc2n1CCC2)NCCC(c1ccc(cc1)OC)C	PC-id_111640758	356.465	SVAXKPPTEDHADS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102770
CN=C(NCc1nnc2n1CCC2)NCC(COCc1ccccc1)C	PC-id_111020117	356.465	UNSTTZDTJCTIIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102771
CN=C(NCc1nnc2n1CCC2)NCCCOC(c1ccccc1)C	PC-id_111020529	356.465	ICPGLKFLPBIHIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102772
O=C1CC[C@H]([C@@H](N1)c1ccnn1C(C)C)NC(c1nn2c(c1)CCC2)C	MCULE-1147979376,EMOLS-id_316084326	356.465	PXUNQCSLKPYFTQ-NWLOPNIYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102773
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)Sc1nncn1C	PC-id_86915777	356.465	BPLSOIILGCRSDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102774
O=C(N1CCCCCC1c1c(C)n[nH]c1C)NC1CC(n2c1ncc2)C	EMOLS-id_101576982	356.465	IMTRKENZYTYNOU-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-102775
CCNC(=NCc1nnc2n1CCC2)N1CCC(C(C1)n1cncc1)C	PC-id_109765673	356.469	PMWPULLFDMOXTJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102776
CCCCCCCCCCCCc1csc2c1C(=O)C(C2=O)(F)F	PC-id_139254638	356.47	ORPSAQQDXPIKBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102777
CC(Cc1sc2c(c1C(=O)c1ccccc1)CCC2CCC(=O)O)C	PC-id_20213602,SCHEMBL10745176	356.478	RALCRYJFRYUBNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102778
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)NC(C)(C)C	CoCoCo_707696,ChEMBL-DNDi_CHEMBL4488-1578,PC-id_1372512,MCULE-4477187600,ZINC22_1220030,EMOLS-id_2375905	356.482	JBESVWHRRYIOQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102779
c1(c2CCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccc(cc1)C	SPECS-id_AG-667/37281003,ZINC22_722367,CoCoCo_5974445,TIMTEC36395,EMOLS-id_2762049,MCULE-1613370169,PC-id_1047322	356.482	KEJFHMLWHQPJHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102780
c1(c2CCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1cccc(C)c1	ZINC22_722368,EMOLS-id_2392684,PC-id_1047323,MCULE-6545234949,CK1217617,TIMTEC36396,CoCoCo_6892812,SPECS-id_AG-667/37281004	356.482	YXZLEIGWGWUPHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102781
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-5786610643,PC-id_7475027,ZINC22_5055728,CoCoCo_2590286,EMOLS-id_16349151	356.482	CSUUOOGQGXOQSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102782
c1(NC(=O)CCc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)N	MCULE-9912314369,PC-id_19221464	356.482	XQGTVBRXFYVFLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102783
c1(NC(=O)CCc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NC	MCULE-9246532872,EMOLS-id_334328284	356.482	KTYSLVLAGHRDSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102784
c1(NC(=O)C(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331308,MCULE-4748685813	356.482	SJLVYVJENYFFCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102785
c1(NC(=O)CCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334335392,MCULE-4802546481	356.482	VHLUSWYLLBCZFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102786
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)CCC3)c(C)c1	PC-id_9186310,ZINC22_8055046,MCULE-8518032060,EMOLS-id_43823203	356.482	BMJZWGIEUWKEBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102787
CCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1	CK1305087,EMOLS-id_2986574,PC-id_2349366,MCULE-9055599811,CHEMBL1345921,ZINC22_3231223,CoCoCo_3335582,ChEMBL-DNDi_CHEMBL1345921	356.482	QZXWMCOYODEWLH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102788
CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc2c(s1)CCC2	MCULE-8648728508,PC-id_17468825,ZINC22_12549325,CoCoCo_4162569,EMOLS-id_13534780	356.482	LHXXKIYVOKCPFK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102789
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCC2	EMOLS-id_3644218,CoCoCo_4163443,ZINC22_9614174,MCULE-3413310456,PC-id_16366903	356.482	YEEZDGZFYLZYBR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102790
COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	PC-id_8200753,CoCoCo_4082216,EMOLS-id_13338990,ZINC22_24013473,MCULE-7876259271	356.482	XGEWSLAJNBTPMF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102791
OC1CCN(CC1)Cc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_101029339	356.482	HJUROHZCDSSXJY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-102792
OC1CCN(CC1)Cc1ccccc1NC(=O)c1sc2c(c1)CCC2	EMOLS-id_98361640	356.482	VWDJOBHMNULFJD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-102793
O=C(c1cc2c(s1)CCC2)N1CCN(CCOc2ccccc2)CC1	ZINC22_23717924,MCULE-7442839958,CoCoCo_3673547,PC-id_16390327	356.482	YJGCCCNPUYKKRG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102794
O(Cc1c(c(C[NH+](Cc2n[nH]c3c2CCC3)C)c(cc1C)C)C)C(=O)C	PC-id_52395313	356.482	FRTSPYKIPRJAFU-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-102795
O=C(c1sc2c(c1)CCC2)NC(c1ccccc1)CN1CCOCC1	MCULE-8592044376,PC-id_16377488,EMOLS-id_11835406	356.482	RNFYMKZMNDJWMV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102796
O=C(C=C(C1CC1)C1CC1)Nc1sc2c(c1C(=O)NC1CC1)CCC2	EMOLS-id_45644575,ZINC22_65066020,MCULE-7950646100,PC-id_71935001	356.482	PXZDSXOSOBCDGE-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-102797
O=C(NCc1ccccc1CN1CCOCC1)c1cc2c(s1)CCC2	ZINC22_23732331,EMOLS-id_11860256,PC-id_9481339,CoCoCo_4005767,MCULE-7630606058	356.482	LWCYJALPCPZZHF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102799
O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc2c(s1)CCC2	PC-id_9149276,ZINC22_23760961,CoCoCo_4202866	356.482	RNFYMKZMNDJWMV-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102800
O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc2c(s1)CCC2	PC-id_9149281,ZINC22_23760958,CoCoCo_4202865	356.482	RNFYMKZMNDJWMV-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102801
s1c2CCCc2cc1C(=O)NCc1ccc(CN2CCOCC2)cc1	PC-id_39643660	356.482	DCNVCFNZVNODPC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102802
s1c2CCCc2cc1C(=O)N(CCC)CC(=O)Nc1c(cccc1)C	PC-id_37275516	356.482	AIHWDAPMBPXJAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102803
s1c2CCCc2cc1C(=O)NNC(=O)C(C(CC)C)c1ccccc1	PC-id_78609351	356.482	ZREOXDBPPMZSJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102804
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H]([C@@H](CC)C)c1ccccc1	PC-id_8123269	356.482	ZREOXDBPPMZSJQ-ACJLOTCBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102805
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H]([C@H](CC)C)c1ccccc1	PC-id_8123270	356.482	ZREOXDBPPMZSJQ-UGSOOPFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102806
s1c2CCCc2cc1C(=O)NNC(=O)[C@H]([C@@H](CC)C)c1ccccc1	PC-id_8123271	356.482	ZREOXDBPPMZSJQ-FZKQIMNGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102807
s1c2CCCc2cc1C(=O)NNC(=O)[C@H]([C@H](CC)C)c1ccccc1	PC-id_8123272	356.482	ZREOXDBPPMZSJQ-SCLBCKFNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102808
s1c2CCCc2c(c1N=Cc1ccc(N(CC)CC)cc1)C(=O)OC	PC-id_23905760	356.482	IGQKPAZJMKBZFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102809
C=Nc1c(sc2c1C=C(C2)C)C(=NCc1ccccc1)c1ccccc1	PC-id_144806250	356.483	HVAICJHESAQTLF-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-102810
s1c2c(CCC2)c(c1NC(=O)CSC1=NCCS1)C(=O)OC	PC-id_19727707	356.483	DGBJBGIQNWEMKL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-102811
CC1OC(C)CN(C1)C(CNS(=O)(=O)c1cnc2n1CCC2)(C)C	EMOLS-id_100184286	356.484	VBCTYTVNWGRHIH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102812
c12SCCn1cc(CNC(=O)c1ccc(cc1)CN1CCCCC1)n2	ZINC22_65527209,PC-id_50983043,EMOLS-id_32434078,MCULE-7579357558	356.485	VIKODCLHVGDLNO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102813
c12SCCn1cc(CNC(=O)CN1CCC(CC1)c1ccccc1)n2	EMOLS-id_46605172,MCULE-1238017956,ZINC22_95356434,PC-id_72849075	356.485	JQKHEWKWCQVJCZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102814
c1(NC(=O)C2(c3ccccc3)CCN(CC2)C)n(C)nc2CSCc12	EMOLS-id_316274470,MCULE-7662813878,ZINC22_1506406251	356.485	FPFOMPIODHWMAU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102815
CC1(C)CCc2sc(NC(=O)N3CCC(c4ccncc4)CC3)nc12	MCULE-7097535766,ZINC22_333127081,EMOLS-id_102007323	356.485	ALHZPIBSYFYOGK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-102816
CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@@H]3c3ccncc3)nc12	ZINC22_333622377	356.485	ZRJOGTXAYTVAGM-HNNXBMFYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-102817
CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@H]3c3ccncc3)nc12	ZINC22_333622378	356.485	ZRJOGTXAYTVAGM-OAHLLOKOSA-N	00001010100000101001100010000000000000000000000000000000	25-01-102818
Cc1ccc(cc1)C1CSCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579229	356.485	GBEAZJOMPGSOGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102819
Cc1cc(N2CCC(NC(=O)c3cc4c(s3)CCC4)CC2)nc(C)n1	ZINC22_178187689,EMOLS-id_189699073,MCULE-6195154163	356.485	IWZVVMATPWCSQE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-102820
CC1=C([S]=C(N1)c1ccc(C)cc1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_320524082	356.485	WVBAGPMEXHDJLQ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-102821
CCN(CC)c1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1	EMOLS-id_324857583	356.485	IFHSSRHVAVZUNJ-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102822
CCN(CC)c1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324851427	356.485	RHUCYOKYPHQMEA-QINSGFPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102823
n12c(=O)c(=Cc3ccc(N(CC)CC)cc3)sc1nc(C(C)(C)C)n2	MCULE-1891500450	356.485	RHUCYOKYPHQMEA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102824
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)CC(C)C	MCULE-5455877719	356.485	IFHSSRHVAVZUNJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102825
n1c2CCCc2sc1CCNc1cc(ccn1)C(=O)N1CCCCC1	MCULE-1034254016,EMOLS-id_317351513,PC-id_135115677,ZINC22_1704299308	356.485	IQRYIDJPLNBIPC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102826
n1c2CCCc2sc1CCNC1CCN(CC1)C(=O)c1ccncc1	ZINC22_1506402521,EMOLS-id_316229922,MCULE-2418892282	356.485	PNRUJZDIXAXELM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-102827
n1c2CCCc2sc1CCNC(=O)C(c1cccnc1)N1CCCC1	EMOLS-id_46650742,MCULE-1694801489,PC-id_72938499	356.485	VXHPTDUBSVJVCG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102828
NC[C@@H]1CN(C[C@H]1c1ccccc1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_120759166	356.485	JNNDIACCCIMZMQ-CABCVRRESA-N	00000010100000110001100010000000000000000000000000000000	25-01-102829
O=C(c1cc2c(s1)CCN2Cc1cccnc1)NCCN1CCCC1	PC-id_97410567	356.485	FLBZONYQGRPUAL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-102830
O=C(c1ccc(cc1)CN1CCSCC1)Nc1n(C)nc2c1CCC2	PC-id_99371225	356.485	SVFWCZGDDIYOHS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102831
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2c(s1)CCC2	CoCoCo_4790737,PC-id_43061362,EMOLS-id_44086602,ZINC22_36744385,MCULE-3028654613,CoCoCo_4790736	356.485	GDHIDCXKODURCM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-102832
O=C(N1CC(C1c1cccnc1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010695	356.485	WMOWKRTUTVPUSE-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-102833
O=C(N1CC(C1c1ccncc1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	MCULE-1669640876,EMOLS-id_102010713	356.485	ZRJOGTXAYTVAGM-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-102834
O=C(NCc1n2CCCc2nn1)c1ccc(C[NH+](CCC)CCC)cc1	PC-id_52404167	356.485	HRUXAYSVKIGTAA-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-102835
O=C(NCCc1nc2c(s1)CCC2)[C@H](c1cccnc1)N1CCCC1	ZINC22_95391693,PC-id_97210390	356.485	VXHPTDUBSVJVCG-SFHVURJKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102836
O=C(NCCc1nc2c(s1)CCC2)[C@@H](c1cccnc1)N1CCCC1	ZINC22_95391694,PC-id_97210391	356.485	VXHPTDUBSVJVCG-GOSISDBHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102837
s1c2CCCc2nc1NC(=O)CN1CCN(CC1)c1cc(ccc1)C	PC-id_60504797	356.485	KQRJNWSDDKOEOZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102838
O=S(=O)(c1cnc2n1CCC2)N1CCSCC1c1nccs1	EMOLS-id_100206388	356.487	CAWUBRMCJPKTES-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-102839
CCCS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_48213523,PC-id_34350374,MCULE-3474743252,ZINC22_27053662	356.503	MZUYFEKGPNGPNB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102840
CCN(S(=O)(=O)C)C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_110801491	356.503	MPAVFYWSNVDJGI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102841
CCS(=O)(=O)N(C1CCN(CC1)C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_110800217	356.503	QIWZYJGMJAOKKR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102842
S1(=O)(=O)Cc2c(sc(c2)C(=O)NCCN(C2CCCCC2)C)C1	PC-id_20882735	356.503	LZXZAEYCAYQOHL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102843
c1(NC(=O)c2ccc(cc2)SCC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_322838454,MCULE-9624656591	356.505	MIFOZNCMAAVWJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102844
c1(NC(=O)c2ccccc2SCC(C)C)sc2c(CCC2)c1C#N	MCULE-2897841490,EMOLS-id_322823969	356.505	HGWNNLQZEYHKKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102845
c1(NC(=O)CCCSc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_5623962,ZINC22_10217885,ChEMBL-DNDi_CHEMBLF2812-0987,PC-id_16800235,CoCoCo_5189401,MCULE-1005560506	356.505	SLKJCUNVOSNXPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102846
CC1CC(CN2[C@H]3CC[C@H]2CN(C(=O)c2c4c(nn2C)CCC4)CC3)C1	ZINC22_1875406681	356.505	JZMJEXXVANEWEZ-GQGLESIBSA-N	00001010100000000101000010000000000000000000000000000000	25-01-102847
s1c2CCCc2cc1C(=O)Nc1ccc(N2CC[NH+](CC2)CC)cc1	PC-id_41024270	356.505	CWULLCKKOYPBPR-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-102848
s1c2CCCc2cc1C(=O)Nc1c(N2CC[NH+](CC2)CC)cccc1	PC-id_31826353	356.505	STUVCSGBBXLOTI-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-102849
s1c2CCCc2c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C#N	PC-id_16838743	356.505	RFMFMIIDOGWAAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102850
s1c2CCCc2c(c1NC(=O)CCCSCc1ccccc1)C#N	PC-id_41580226	356.505	TVFGRRITUAOWNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102851
s1c2CCCc2c(c1NC(=O)CCSCc1c(cccc1)C)C#N	PC-id_78846329	356.505	HBBKHXNCXKXBEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102852
s1c2CCCc2c(c1NC(=O)CSc1c(cc(cc1C)C)C)C#N	PC-id_7799458	356.505	RDESDSACTSCPMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102853
CSC1CN(CC1N1CCCC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101182310	356.507	NBWOSEVMJGRSEY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-102854
CCCCCCc1ccc(cc1)OC(=O)c1sc2c(c1)CC(C2)CC	SCHEMBL10563380,PC-id_70393454	356.522	WESFGNBFIPXTOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102855
CC1=C(c2c(C1[Si](C)(C)C1C(=C(c3c1scc3)C)C)scc2)C	PC-id_90939693	356.62	JASRVYKDXIHPGY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-102856
CC1=C(C)c2c(C1[Si](C1C(=C(c3c1ccs3)C)C)(C)C)ccs2	PC-id_101188351	356.62	VQNXOKZLIAYIPD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-102857
s1c2C([Si](C3c4scc(c4C=C3C)C)(C)C)C(=Cc2c(c1)C)C	PC-id_85787515	356.62	SWDCLHUDMVHNHD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-102858
c1(NC(=O)C(Cl)(Cl)Cl)sc2c(CCC2)c1C(=O)OCC	ZINC22_3002495,ChEMBL-DNDi_CHEMBL5838522,CoCoCo_706171,PC-id_2298700,MCULE-3276996212,EMOLS-id_2109436	356.653	JKKMQCRGZLLZKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102859
Brc1cc(NC(=O)c2sc3CCCc3c2)ccc1Cl	PC-id_80085335	356.665	QSANEVVENFACLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102860
Brc1cc(NC(=O)c2sc3CCCc3c2)c(Cl)cc1	PC-id_62908077	356.665	GWFCEVBEMFZBFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102861
Brc1c(NC(=O)c2sc3CCCc3c2)cc(Cl)cc1	PC-id_81272805	356.665	MGDQSESCJXOFGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102863
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1Br)Cl	PC-id_113820497	356.665	JGMWBIYEKCEFME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102864
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)Cl)Br	PC-id_107620618	356.665	DWWYSFSWQDMCKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102865
s1c([Si](C)(C)C)c2CC(Cc2c1[Si](C)(C)C)(COC)COC	PC-id_56599683	356.671	ZQVUXWBQUOQBCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102866
CC(/C=CC=C(/C(=C)C1CCc2n1nc(n2)Br)Cl)CC	PC-id_137412608,SCHEMBL20646029	356.688	UBRVNTNBSXYNMR-UNKATYBDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102867
Brc1ccc(c(c1)Cl)CC(c1sc2c(c1)CCC2)N	PC-id_105037721	356.708	RYXYRAANQHADCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102868
Brc1ccc(c(c1)Cl)CNCc1sc2c(c1)CCC2	PC-id_115653357	356.708	HXQYURKKZIEDFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102869
Brc1ccc(c(c1)CNCc1sc2c(c1)CCC2)Cl	PC-id_108392264	356.708	FSJXQKYTDAKIFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102870
Brc1ccc([C@H](NC2CCc3sc(Cl)cc23)C)cc1	PC-id_81353586	356.708	FBOIYMVIRJPVFI-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102871
Brc1ccc([C@@H](NC2CCc3sc(Cl)cc23)C)cc1	PC-id_81360085	356.708	FBOIYMVIRJPVFI-LLTODGECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102872
Brc1ccc(C(NC2CCc3sc(Cl)cc23)C)cc1	PC-id_81251736	356.708	FBOIYMVIRJPVFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102873
Brc1cc([C@H](NC2CCc3sc(Cl)cc23)C)ccc1	PC-id_81381018	356.708	NVQDLHYFKRQBOR-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102874
Brc1cc([C@@H](NC2CCc3sc(Cl)cc23)C)ccc1	PC-id_81381599	356.708	NVQDLHYFKRQBOR-LLTODGECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102875
Brc1cc(c(NC2CCc3sc(Cl)cc23)c(c1)C)C	PC-id_81251732	356.708	JMHBDABFFRXHSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102876
Brc1cc(c(NC2CCc3sc(Cl)cc23)cc1)CC	PC-id_81291637	356.708	MABSXJKUJSIRGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102877
Brc1cc(C(NC2CCc3sc(Cl)cc23)C)ccc1	PC-id_81252994	356.708	NVQDLHYFKRQBOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102878
Brc1cc(CNCc2sc3c(CCC3)c2)ccc1Cl	PC-id_83230497	356.708	BAAKMJAPGQMMOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102879
Brc1c([C@H](NC2CCc3sc(Cl)cc23)C)cccc1	PC-id_81379630	356.708	NPOZAWPITLVCEH-CGCSKFHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102880
Brc1c([C@@H](NC2CCc3sc(Cl)cc23)C)cccc1	PC-id_81383639	356.708	NPOZAWPITLVCEH-LLTODGECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102881
Brc1c(C(NC2CCc3sc(Cl)cc23)C)cccc1	PC-id_81252786	356.708	NPOZAWPITLVCEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102882
Brc1c(CNCc2sc3c(CCC3)c2)ccc(Cl)c1	PC-id_81580764	356.708	RTPCEWAGPSCATC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102883
Brc1c(CNCc2sc3c(CCC3)c2)cc(Cl)cc1	PC-id_66158795	356.708	MXSXDPPAIPTSEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102884
Brc1c(NC2CCc3sc(Cl)cc23)c(cc(c1)C)C	PC-id_81522424	356.708	VXHPNTPQYGPUTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102885
Clc1cc(CNCc2sc3c(c2)CCC3)ccc1Br	PC-id_108392265	356.708	FQSYCJLFNWMIDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102886
Clc1sc2c(c1)C(CC2)Nc1cc(C)c(c(c1)C)Br	PC-id_107571897	356.708	VWSVLJWVSNNEMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102887
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(F)c(F)c1	EMOLS-id_3295594,CoCoCo_3218630,PC-id_2500943,MCULE-3432816597	356.775	ZKCLHXNEXRHREK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102888
O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2nnc3n2CCC3)c1	EMOLS-id_31867792,PC-id_45336200,ZINC22_13252539,MCULE-6125557798	356.785	IEQICMKNIRPSJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102889
O=C(O)c1cc(S(=O)(=O)NCc2nnc3n2CCC3)ccc1Cl	MCULE-2346607767,ZINC22_13252541,EMOLS-id_36260347,PC-id_45336201	356.785	SDKGKZRHUZNQQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102890
CCOC(=O)n1nc2c(c1NC(=O)C(C)C)CN(C2(C)C)C(=O)Cl	SCHEMBL1204598,PC-id_58015569	356.805	RWBCMPHNHPRPEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102891
c1(c2ccccc2Cl)noc(C)c1C(=O)NCc1c2CCCc2[nH]n1	MCULE-9547630223,EMOLS-id_43119227,ZINC22_71747408,PC-id_56869983	356.806	BEUJNCWTKNWBAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102892
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)n(C)nc2CCCc12	MCULE-5104144921,PC-id_45536822,EMOLS-id_37097438,ZINC22_38511261	356.806	UVXUWQARBZTWNS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102893
ClCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1c(cccc1)C	PC-id_51039301	356.806	GVPJICAJBFDKMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102894
ClCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1ccc(cc1)C	PC-id_76308338	356.806	KMBKXQYMLUOSOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102895
ClCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1cc(ccc1)C	PC-id_9975586	356.806	VPKQOTPJVZMAJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102896
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(c2ccccc2Cl)o1	MCULE-1297666484,ZINC22_69328873,PC-id_53521193,EMOLS-id_36268936	356.806	UDMGXYLPLIGWFQ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-102897
Cc1c(C(=O)NCc2nnc3n2CCC3)cnn1c1cccc(Cl)c1	MCULE-4648665800,CoCoCo_4782706,EMOLS-id_30012020,PC-id_32178799,ZINC22_24861198	356.809	YLDAPSZGSPMWCP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102898
O=C(NCc1nnc2n1CCC2)c1cnn(Cc2ccccc2Cl)c1	ZINC22_54454606,EMOLS-id_31363379,PC-id_47016908,MCULE-7980835004	356.809	AXWUECDPRBTXCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102899
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1CCl	MCULE-2060093604,EMOLS-id_331008446	356.813	NFBBLXTVJJZILT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102900
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008190,MCULE-5006717899	356.813	CUFQBBQTFOOSAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102901
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-3129230649,ZINC22_4496170,PC-id_7254248,EMOLS-id_16358787,CoCoCo_2600360	356.848	NMLKDNCWWYOEIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102902
Clc1ccc(cc1)NC(=O)c1cc2c(s1)CCN2S(=O)(=O)C	PC-id_97407210	356.848	NCPBWRQQOVLVRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102903
Clc1cccc(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_8474007,MCULE-6232155335,EMOLS-id_16680825,CoCoCo_3532693	356.848	AFKGKISOVOCSLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102904
Clc1ccc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_8473895	356.848	GSAWBBOGGYHQNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102905
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cccc1	MCULE-3142480338,CoCoCo_3532711,PC-id_8474135,EMOLS-id_16729146	356.848	FSSKGYWNZNMKPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102906
O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1cc2c(s1)CCC2	CHEMBL319219,PC-id_15669350	356.848	KHMUFNIZLOSDSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102907
O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1scc2c1CCC2	PC-id_15669346,CHEMBL103923	356.848	MINJUBCZSLTIEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102908
Clc1cccc(c1)C1=CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421744,MCULE-3603052801	356.849	PSWGKGTUAUZYSM-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-102909
Cc1ccc(cc1)S(=O)(=O)N/N=Cc1c(Cl)nc2n1CCS2	CoCoCo_5595433	356.851	UWUCIEFTILNUHQ-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102910
Cc1ccc(cc1)S(=O)(=O)N/N=C/c1c(Cl)nc2n1CCS2	PC-id_9555393,LI_185196,CoCoCo_5595434,NSC315234	356.851	UWUCIEFTILNUHQ-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102911
Clc1nc2SCCn2c1C=NNS(=O)(=O)c1ccc(cc1)C	PC-id_329974	356.851	UWUCIEFTILNUHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102912
O=C(N1CCC(C1)CNC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_104538100	356.911	GNUYOVKCLUAWPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102913
O=C(N1CCCC1CNC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_107248963	356.911	YUKPYYGRQZMDPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102914
O=C(N1CCCC(C1)NC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_107241501	356.911	COTILFYQEUWYNQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102915
O=C(N1CCC(CC1)NC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_107241653	356.911	NNNVSVRMOCAEFA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-102916
O=C(N(C1CC1)CCNC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_107246384	356.911	LKDDPHBVMLYWTF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-102917
O=C(OC(C)(C)C)NC1(CCC1)CNC1CCc2c1cc(s2)Cl	PC-id_107243371	356.911	YKJAFZZDRJNQQQ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-102918
O=C(OC(C)(C)C)NC1CCCC1NC1CCc2c1cc(s2)Cl	PC-id_107243856	356.911	XSRFDYTVJBIYLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-102919
O=C(OC(C)(C)C)NC(C1CC1)CNC1CCc2c1cc(s2)Cl	PC-id_103905970	356.911	CMQUIZVFCASJSF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-102920
O=C(OC(C)(C)C)NCC(C1CC1)NC1CCc2c1cc(s2)Cl	PC-id_107251811	356.911	WCIYQUXDQHTGAN-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-102921
CC1=C(C=NN1CC(F)F)SN2C=C3CN(CC3=N2)C(=O)CCO	PC-id_164872001	357.107	IUYNTKGAILYIEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102922
CC1=CN(N=C1SN2C=C3CN(CC3=N2)C(=O)CCO)CC(F)F	PC-id_164872046	357.107	ZNCAMTLRYKMOGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102923
CC1=NN2CCN(C2=C1C(=O)OC)CC3=CC(=CC(=C3)F)C(F)(F)F	PC-id_162079623	357.11	WFYCDBWVCMOKJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102924
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)CC3=CC=CC=C3	PC-id_164872290	357.115	IWPXIGYDJWVNQG-AYSLTRBKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102925
CC(=O)NC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC3=C(S2)CCC3	PC-id_154798999	357.115	GQEGHEMAVNGNJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102926
CC(C)(C)OC(=O)N1CC2=C(C1(CCCCl)C(=O)OC)C=NN2C	PC-id_164922328	357.146	HKFBHFHYBAGRTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102927
O=C(c1cn[nH]c1I)NC1CC(n2c1ncc2)C	EMOLS-id_278359969	357.15	GTANQLMBWQGOJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102928
CC1(c2c(CN1C(=O)N[C@H](CCO)c1ccccc1)c(n[nH]2)NC=O)C	PC-id_164109206	357.18	XVLARKOPAGZZPB-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102929
COc1cc(F)c(Cn2nc3CCC(C)c3c2Br)c(F)c1	MCULE-3844559342,EMOLS-id_331016617	357.193	VCOWAAQUIQDDKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102930
COc1cc(F)c(Cn2nc(Br)c3C(C)CCc23)c(F)c1	MCULE-3854717605,EMOLS-id_330969084	357.193	RHFNQVXUONLDLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102931
OC(=O)C1CCc2c1nc(s2)Nc1cc(Br)ccc1F	PC-id_104287935	357.198	PDWPPEMBYPOPLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102932
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Br)F	PC-id_104287684	357.198	IQUOEDPQUQNAOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102933
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)Br)F	PC-id_104781924	357.198	SVQBJSZTYXMKBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102934
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1F)Br	PC-id_104287534	357.198	BISVBCJLDJIQJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102935
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)F)Br	PC-id_104288870	357.198	LPYDBCRVXDCHBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102936
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)ccc1Br	PC-id_107638549	357.198	FNWOXIYDBOTNTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102937
OC(=O)C1CCc2c1nc(s2)Nc1c(F)cccc1Br	PC-id_107604326	357.198	QEJMPSWILFXJFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102938
BrC1CN(CC2CC(c3c2n(nc3)C)CO)C(=O)NC1=O	PC-id_73202746	357.203	XIRLXILOUBXAOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-102939
C[C@H](C1=CN2C[C@](OC2=N1)(C)COC3=CC=C(C=C3)N4CCCCC4)O	PC-id_154029690	357.205	VECYPLUEPHQQEU-FOIQADDNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-102940
Ic1c(NCc2sc3CCCc3c2)ncnc1	PC-id_66343011	357.213	RMVRFWUFTKKPHY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102941
Ic1cnc(nc1)NCc1sc2c(c1)CCC2	EMOLS-id_315948720,PC-id_104843412	357.213	DZJZHZQCDKCCGQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-102942
O=C(c1sc2c(c1)CCC2)Cc1c(F)ccc(c1F)Br	PC-id_106267563	357.213	LUZDSUSVMSMQEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102943
Clc1nc2SCCn2c1C(=O)NC(=O)Nc1ccc(Cl)cc1	PC-id_21811872	357.215	YRGSOKGOCVLMLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102944
Brc1ccc(nc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700006	357.226	ZGNYLYRXBQUUND-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102945
Brc1ccc(nc1)N(S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100180289	357.226	USJGRXGRHANYNL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102946
Brc1cnc(cc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705259	357.226	BOSYNZILHSHJCA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102947
COc1nsc(c1Br)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_278997997	357.226	IEYMMOXIVVCWQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102948
CC1=CN=C2N1CCC2NC[C@H]3C[C@H](CN3C4=CC(=NC=N4)N(C)C)O	PC-id_154797989	357.228	CEOJZHPZCQJETA-GRKKQISMSA-N	00000010100000100001100010000000000000000000000000000000	25-01-102949
OC(COc1cccc(c1Cl)Cl)CNC1CC(n2c1ncn2)C	EMOLS-id_279082244	357.235	UFJYBQQRXIHWTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102950
COc1cc(F)c(cc1C(c1sc2c(c1)CCC2)O)Br	PC-id_103396102	357.238	VTPBGMABECVIEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102951
CC(C(=O)Nc1sc2c(CCC2)n1)Oc1c(Cl)cc(Cl)cc1	MCULE-4157768289,EMOLS-id_43971914,PC-id_5082073	357.255	YJLRXVQSMKWKOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102952
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4164313,PC-id_7984846,ZINC22_6470876	357.255	YJLRXVQSMKWKOX-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102953
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CCC2	PC-id_7984852,CoCoCo_4164312,ZINC22_6471074	357.255	YJLRXVQSMKWKOX-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102954
Clc1ccc(CCCNC(=O)C2COc3ncsc23)c(Cl)c1	SCHEMBL15903584,BindingDB-id_412889,PC-id_78318540,BindingDB_PC-id_78318540	357.255	QZEQUTAEBXUCAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102955
Clc1c(C(NC(=O)C2CCc3ncsc23)CO)ccc(Cl)c1	PC-id_78318419,SCHEMBL15903543	357.255	UVRFJKSUBFCSRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102956
COc1cc(Cl)cc(Cl)c1CNC(=O)C1CCc2ncsc12	BindingDB_PC-id_78318282,SCHEMBL15903945,BindingDB-id_412907,PC-id_78318282	357.255	JTVHTJGAFQMQAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102957
OCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCc2ncsc12	PC-id_78318351,BindingDB_PC-id_78318351,BindingDB-id_412906,SCHEMBL15903583	357.255	XFSPXQOSMWDJJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102958
OC[C@@H](NC(=O)C1CCc2ncsc12)c1ccc(Cl)cc1Cl	SCHEMBL18222099,BindingDB-id_412905,PC-id_122684373,BindingDB_PC-id_122684373	357.255	UVRFJKSUBFCSRU-JLOHTSLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102959
COCCn1ncc(c1C(c1sc2c(c1)CCC2)O)Br	PC-id_115835690	357.266	OBHHRGYWEHXECD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-102960
BrC(=Cc1ccccc1)C=Nc1sc2CCCc2c1C#N	EMOLS-id_26175703,PC-id_2347088	357.268	MVYGVAIWOOCPII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102961
BrC(=Cc1ccccc1)/C=N/c1sc2CCCc2c1C#N	PC-id_9660888	357.268	MVYGVAIWOOCPII-STPBTHDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102962
N#Cc1c(/N=C/C(=C/c2ccccc2)/Br)sc2c1CCC2	CoCoCo_3757708	357.268	MVYGVAIWOOCPII-CFQSPPGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102963
N#Cc1c(/N=CC(=Cc2ccccc2)Br)sc2c1CCC2	CoCoCo_3757709	357.268	MVYGVAIWOOCPII-FQJKBQCISA-N	00000010100000110000000010000000000000000000000000000000	25-01-102964
N#Cc1c(/N=CC(=C/c2ccccc2)Br)sc2c1CCC2	CoCoCo_3757710	357.268	MVYGVAIWOOCPII-XIABYIJYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102965
N#Cc1c(/N=C/C(=Cc2ccccc2)/Br)sc2c1CCC2	PC-id_75459492,CoCoCo_3757711,ZINC22_6440310	357.268	MVYGVAIWOOCPII-GFQJXZDYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102966
Fc1cc(C[C@H](N[C@@H]2CCc3[nH]ncc23)C(=O)O)ccc1C(F)(F)F	SCHEMBL14243863,PC-id_71114813	357.303	REZXOGKMCORHBT-OCCSQVGLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102967
FC(F)(F)C(NC(=O)NCc1n2CCCc2nn1)c1ccc(F)cc1	PC-id_72132628	357.306	NKBOWVRUKDMLTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102968
Clc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Br	PC-id_113221461	357.653	UGVWSBLYWSPBGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103501
O=C(N[C@H](C(F)(F)F)c1ccc(cc1)F)NCc1nnc2n1CCC2	PC-id_96094670	357.306	NKBOWVRUKDMLTQ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102969
O=C(N[C@@H](C(F)(F)F)c1ccc(cc1)F)NCc1nnc2n1CCC2	PC-id_96094671	357.306	NKBOWVRUKDMLTQ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-102970
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)ccc1O	EMOLS-id_324908038	357.308	AAQXUZUYPDKRSB-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-102971
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1O	EMOLS-id_324908041	357.308	GZSOXZOSGNDCON-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102972
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1OC	EMOLS-id_324910597	357.308	QLDCVMLGIMMCFQ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-102973
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1OC	EMOLS-id_324910089	357.308	GBVFFKRBBMNPRZ-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102974
COc1ccc(OC)c(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)c1	EMOLS-id_324910601	357.308	MRKXZOIMOJFPID-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-102975
n12c(=O)c(=Cc3ccc(c(OC)c3)OC)sc1nc(C(F)(F)F)n2	MCULE-3302534634	357.308	QLDCVMLGIMMCFQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102976
n12c(=O)c(=Cc3cccc(OC)c3OC)sc1nc(C(F)(F)F)n2	MCULE-5912824022	357.308	GBVFFKRBBMNPRZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102977
n12c(=O)c(=Cc3cccc(OCC)c3O)sc1nc(C(F)(F)F)n2	MCULE-4641239697	357.308	GZSOXZOSGNDCON-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102978
n12c(=O)c(=Cc3ccc(c(OCC)c3)O)sc1nc(C(F)(F)F)n2	MCULE-6614280740	357.308	AAQXUZUYPDKRSB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102979
n12c(=O)c(=Cc3cc(OC)ccc3OC)sc1nc(C(F)(F)F)n2	MCULE-8127686075	357.308	MRKXZOIMOJFPID-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-102980
Brc1sc2c(c1)C(CC2)NCC1(CC1)N1CCOCC1	EMOLS-id_318297497	357.309	IWPNTLOGLIPTEA-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-102981
BrCCN1CCCN(CC1)C(=O)c1sc2c(CCC2)c1	PC-id_80666151	357.309	FCNPQZHMCBMQJN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-102982
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)Cn1nnc(c1)COc1ccccn1	SCHEMBL19518615	357.324	FKNFQQDCVBNLJE-OAHLLOKOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102983
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)Cn1nnc(c1)COc1ccccn1	SCHEMBL19518617	357.324	FKNFQQDCVBNLJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-102984
O=C(c1ccccc1c1ccc(C(F)(F)F)cc1)N1Cc2c[nH]nc2C1	MCULE-1877549302,PC-id_146089240,ZINC22_647795083,EMOLS-id_324015647	357.329	LWJZUYNHDSRXCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102985
Brc1cc(sc1)C(NCCC)c1sc2CCCc2n1	PC-id_61345217	357.332	AWRGPFCONKBLMN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-102986
Brc1cc(sc1)C(NC(C)C)c1sc2CCCc2n1	PC-id_61345818	357.332	GVGTWIXVUPPEQJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-102987
Brc1sc(C(NCCC)c2sc3CCCc3n2)cc1	PC-id_61345239	357.332	AEZRVLBUGPNPQQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-102988
Brc1sc(C(NC(C)C)c2sc3CCCc3n2)cc1	PC-id_61345241	357.332	XCKGFTDSWPVXBS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-102989
CCNC(c1sc(c(c1)Br)C)c1sc2c(n1)CCC2	PC-id_102842932	357.332	YGMTZFFAMANERV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-102990
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCn3nccc23)C1=O	ZINC22_367500433	357.339	NACAOSXCBFKFJT-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102991
C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCn3nccc23)C1=O	ZINC22_367500434	357.339	NACAOSXCBFKFJT-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102992
Fc1ccc(cc1)C1(C)NC(=O)N(C1=O)CC(=O)N1CCn2c1ccn2	MCULE-3435004963,EMOLS-id_316051612	357.339	NACAOSXCBFKFJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-102993
COc1cccc(c1)C(=O)c1ccc2n1CCC2(C(=O)OC)C(=O)OC	PC-id_20454696,SCHEMBL11064829	357.357	XMBFRWBMPSUOSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102994
COc1ccc(cc1)C(=O)c1ccc2n1CCC2(C(=O)OC)C(=O)OC	SCHEMBL9792280,PC-id_20073591	357.357	ZUEJVUGXVHGKQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102995
O(C(=O)C1(C(Cn2c1ccc2C(=O)c1ccc(OC)cc1)C)C)C(=O)O	PC-id_53938416	357.357	IWBDDXJQQXYXLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102996
O(C(=O)C1(C(Cn2c1ccc2C(=O)c1cc(OC)ccc1)C)C)C(=O)O	PC-id_54231855	357.357	QJVOHXXIUBYOPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102997
O=C(O)COCCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_247389895	357.357	LBTDMFSDZAXFGR-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102998
O=C(O)COCCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_247389907	357.357	LBTDMFSDZAXFGR-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-102999
c12CN(Cc1cnn2CCO)C(=O)Nc1ccccc1N1CCOC1=O	MCULE-8060203275,ZINC22_95506675,PC-id_72869123,EMOLS-id_48631024	357.364	VFJPXNBATXZCCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103000
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(=O)OCCCC	EMOLS-id_24579443,PC-id_135649886,MCULE-9712627913,STOCK6S-70190	357.364	USMRWQXJIFLTNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103001
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(=O)OCC)CC	PC-id_135649920,EMOLS-id_27455934,STOCK6S-83383,MCULE-9027442897	357.364	XJMVPLORHPFNIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103002
CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc1	ZINC22_20729233,PC-id_135902344	357.364	USMRWQXJIFLTNA-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103003
CCCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc1	ZINC22_20729237,PC-id_135902345	357.364	USMRWQXJIFLTNA-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103004
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(CC)nn23)cc1	PC-id_135878661,ZINC22_31815961	357.364	XJMVPLORHPFNIN-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103005
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(CC)nn23)cc1	ZINC22_31815958,PC-id_135878660	357.364	XJMVPLORHPFNIN-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103006
CCOC(=O)CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccccc1	SCHEMBL12307437,PC-id_46184644	357.364	SKAXGXDARXSUSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103007
COc1cc(c2nnc(CN3Cc4c[nH]nc4C3)o2)cc(OC)c1OC	ZINC22_2325803411	357.364	FKZPZFYECJNGOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103008
COC(=O)CNC(=O)C1CCc2nnc(n12)CNC(=O)c1ccccc1	PC-id_134791340	357.364	MEACUVBYLIVPSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103009
O=C(c1ccc(c(c1)Br)Cl)Nc1sc2c(n1)CCC2	PC-id_103841747	357.653	UXPZPMJTLAHXFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103502
O1C(CN2CCN(C2=O)Cc2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5545387,PC-id_23081572	357.364	YJNIQXQYWWPQMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103010
Nc1nnc2nc(CC(=O)c3ccccc3)/c(=C/C(=O)c3ccccc3)/n12	LI_194208,NSC382732,ZINC22_31772527,CoCoCo_5636569	357.365	PLXMGOVXSKQRMT-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103011
Nc1nnc2nc(CC(=O)c3ccccc3)/c(=CC(=O)c3ccccc3)/n12	ZINC22_104247277,CoCoCo_5636570,PC-id_98546621	357.365	PLXMGOVXSKQRMT-FOWTUZBSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103012
O=C(Cc1nc2n(c1=CC(=O)c1ccccc1)c(nn2)N)c1ccccc1	PC-id_343318	357.365	PLXMGOVXSKQRMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103013
Cc1nnc2n1N=C(C2=NNc1n[nH]c(c1C#N)c1ccccc1)C(=C)C	PC-id_89429293	357.372	YEGCUJSPDLZWHQ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-103014
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H]([C@@H](C(=O)OC)C1)c1ccc(cc1)F	EMOLS-id_406512,PC-id_95807185,ZINC22_72346709,MCULE-3747915690,AEM-11346590	357.379	QPFYPMZXDWOGAS-CABCVRRESA-N	00000010100000110001100010000000000000000000000000000000	25-01-103015
c1(c2CCCc2[nH]n1)C(=O)N1C[C@@H]([C@@H](C(=O)OC)C1)c1ccccc1F	MCULE-2075859582,ZINC22_72346706,EMOLS-id_406500,PC-id_95807182,AEM-11346221	357.379	RJCBRRYZKIBQPK-KGLIPLIRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103016
s1c2CCCc2c(c1NC(=O)CC(c1ccc(F)cc1)C(=O)[O-])C#N	PC-id_74626225	357.379	XRLJECRQQVTVES-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103017
s1c2CCCc2c(c1NC(=O)C[C@@H](c1ccc(F)cc1)C(=O)[O-])C#N	PC-id_32504258	357.379	XRLJECRQQVTVES-ZDUSSCGKSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103018
s1c2CCCc2c(c1NC(=O)C[C@H](c1ccc(F)cc1)C(=O)[O-])C#N	PC-id_32504263	357.379	XRLJECRQQVTVES-CYBMUJFWSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103019
C1CC1C(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)F	PC-id_134789904	357.382	DIROSASXCJLNEQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-103020
COCCc1noc(n1)CN1Cc2c(C1)cnn2Cc1ccc(cc1)F	MCULE-7498647387,EMOLS-id_55640118,PC-id_91833839	357.382	LQVJIBMHVYGOES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103021
O=C(N1CCCC(C1)C(=O)N1CCn2c1ncc2)Nc1ccccc1F	EMOLS-id_279043933	357.382	BEJMEWSGTUDQAA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103022
c1(C#N)c2CCCc2sc1N=Cc1cc(cc(OCC)c1O)N(=O)=O	MCULE-9434369436	357.384	DRJZKYUNUSSOSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103023
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)N	MCULE-9725245736	357.384	ZBBVJJGGNIWJOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103024
c1(NC(=O)COc2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-1831819649,PC-id_3682568,ChEMBL-DNDi_CHEMBL3772-2692,ZINC22_4103842,CoCoCo_1754978,EMOLS-id_6775185	357.384	ZTWANWMKIMKGEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103025
CCOc1cc(cc(c1O)/C=Nc1sc2c(c1C#N)CCC2)[N+](=O)[O-]	CoCoCo_6709090	357.384	DRJZKYUNUSSOSI-OCKHKDLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103026
CCOc1cc(cc(/C=N/c2sc3CCCc3c2C#N)c1O)[N+](=O)[O-]	EMOLS-id_2757039,ZINC22_35406348,PC-id_135647054,CoCoCo_6709089	357.384	DRJZKYUNUSSOSI-DJKKODMXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103027
N#CCC(N1C(=O)c2c(C1=O)c(sc2)N)c1ccc(c(c1)OC)OC	SCHEMBL2990454,PC-id_68468473	357.384	UZLACZKVYNXATI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103028
NC(=O)c1c2c(CCC2)sc1NC(=O)C=Cc1cc(N(=O)=O)ccc1	MCULE-3813928869,PC-id_1180756	357.384	VXNKFEGIPPWEJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103029
NC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	EMOLS-id_181348397,PC-id_84417641	357.384	ZBBVJJGGNIWJOI-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103030
NC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2CCCc12	PC-id_1556057,EMOLS-id_26063047,CoCoCo_3218631,ZINC22_939393	357.384	VXNKFEGIPPWEJY-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103031
O=C(Nc1sc2c(c1C(=O)N)CCC2)/C=Cc1cccc(c1)[N+](=O)[O-]	CoCoCo_3218632	357.384	VXNKFEGIPPWEJY-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103032
s1c2CCCc2c(c1N=Cc1c([N+](=O)[O-])cc(OC)c(OC)c1)C#N	PC-id_23931206	357.384	COOHABNSFOWXSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103033
s1c2CCCc2c(c1N/C=C/1C(=O)C(=CC(=C1)[N+](=O)[O-])OCC)C#N	PC-id_25250887	357.384	DXHJZOMGGRZSDC-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-103034
s1c2CCCc2c(c1N/C=C
/C(=O)C(=CC(=C1)[N+](=O)[O-])OCC)C#N	PC-id_6161392	357.384	DXHJZOMGGRZSDC-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-103035
s1c2CCCc2c(c1NC=C1C(=O)C(=CC(=C1)[N+](=O)[O-])OCC)C#N	PC-id_6834022	357.384	DXHJZOMGGRZSDC-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-103036
s1c2CCCc2c(c1NC(=O)c1cc([N+](=O)[O-])c(OCC)cc1)C#N	PC-id_4511575	357.384	CVYAPRHOYJFDTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103037
c1(NC(=O)Cn2c(=O)ccc(c3ccco3)n2)n(C)nc2CSCc12	EMOLS-id_35788718,PC-id_52901339,STOCK7S-15251,MCULE-5730508580,ZINC22_61720719	357.387	PPBRGPKOKFAKSI-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-103038
c1(NC(=O)COc2cccnc2NC(=O)N)sc2c(CCC2)c1C#N	EMOLS-id_321871996,MCULE-5065056440	357.387	AVSLUZNXXVQZKD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103039
C1(=O)N(c2ccc(cc2)C(=O)NCc2cn3c(SCC3)n2)CC(=O)N1	ZINC22_97436886,MCULE-3173920104,PC-id_74234765,EMOLS-id_49648468	357.387	XZLOBNPYCBJXDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103040
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc2c(s1)CCC2	PC-id_75412729,MCULE-4944390633,ZINC22_15998568,EMOLS-id_48205448	357.395	VCAXYIBSFOTTDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103041
CCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(c(c1)OC)OC	PC-id_53985723,SCHEMBL7678481	357.4	KBIVGNFKMBQWRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103042
c1(NC(=O)CCC(=O)Nc2ccc(cc2)F)sc2c(CCC2)c1C#N	EMOLS-id_322626880,MCULE-1474668940	357.402	YQKYASAWFZSCKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103043
COC(=O)/C=C/1CC(c2c1cco2)N=C(c1ccccc1)c1ccccc1	PC-id_102029516	357.402	QPGVAOPTARYXTC-OBGWFSINSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103044
O=C(CCc1ncc(c2ccccc2F)o1)Nc1nc2c(s1)CCC2	EMOLS-id_25652254,ZINC22_25769296,MCULE-8636777896,CoCoCo_4521476,PC-id_33041002	357.402	SLVDVZXYJDBYBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103045
s1c2CCCc2nc1NC(=O)CCc1oc(c2ccc(F)cc2)cn1	PC-id_30796797	357.402	DTLPNBHCTIDMHS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103046
c12CN(Cc1nn(C)c2C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	MCULE-1165139492,EMOLS-id_324346725	357.404	FHUSTUFJZIXFFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103047
c12CN(Cc1nn(C(C)C)c2C(=O)OCC)C(=O)OCc1ccccc1	EMOLS-id_324347745,MCULE-8505574348	357.404	DDRNFRJWFGVAHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103048
c12CN(Cc1nn(C(C)(C)C)c2C(=O)OC)C(=O)OCc1ccccc1	MCULE-6782763248,EMOLS-id_324342382	357.404	HUTGNARRNTVDAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103049
C1Cc2c(C1)[nH]nc2C(=O)NC1COCCC1Oc1ccc(cc1)CO	PC-id_91762021	357.404	PUWLCIGIQFQSBC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103050
c1(C(=O)Nc2ccc(cc2)C(=O)OCCOCC)c2CCCc2n(C)n1	PC-id_84467385,MCULE-1659811248,EMOLS-id_320479499	357.404	NTZMXAGVSNJICD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103051
c1(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(cc2)CO)c2CCCc2[nH]n1	MCULE-8038261392,EMOLS-id_55608506	357.404	PUWLCIGIQFQSBC-IAGOWNOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103052
COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_318285026	357.404	OELDHKRLJNOQQO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103053
COc1ccc(cc1)C(=O)c1c(NC(=O)OC(C)(C)C)nc2CCCn12	EMOLS-id_331270742	357.404	YVIOWKKTBJHQLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103054
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1C(=O)N	MCULE-8100906613,EMOLS-id_331019708	357.404	UCJACPDJAFEUCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103055
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@](O)(COc2ccccc2)C1	ZINC22_585278068	357.404	QAIAFUPGRQFMHW-IBGZPJMESA-N	00000010100000110101000010000000000000000000000000000000	25-01-103056
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@](O)(COc2ccccc2)C1	ZINC22_585278071	357.404	QAIAFUPGRQFMHW-LJQANCHMSA-N	00000010100000110101000010000000000000000000000000000000	25-01-103057
O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1n[nH]c2c1CCC2	PC-id_110157884,ZINC22_257247019	357.404	IXAQUPPCEKWDJX-JOCBIADPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103058
O=C(N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1)c1n[nH]c2c1CCC2	ZINC22_1565506587	357.404	PUWLCIGIQFQSBC-IRXDYDNUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103059
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)[O-])cc1)C	PC-id_85015394	357.404	DXJYYSWUUAATKD-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103060
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)[O-])cc1)/C	PC-id_9462249	357.404	DXJYYSWUUAATKD-ODLFYWEKSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103061
s1c2CCCc2cc1C(=O)NN=C(c1cc(OCC(=O)[O-])ccc1)C	PC-id_85015423	357.404	SMFFTVZOLLRMBV-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103062
s1c2CCCc2cc1C(=O)N/N=C(c1cc(OCC(=O)[O-])ccc1)/C	PC-id_9462313	357.404	SMFFTVZOLLRMBV-ODLFYWEKSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103063
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1ccccc1	PC-id_3493336	357.404	VIBFJMDVYMZQMP-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103064
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCc1ccccc1)C(=O)[O-]	PC-id_8069362	357.404	SZHZKRBNMNHHIL-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103065
Cc1nc(c2ccc(F)cc2)sc1C(=O)NCc1nnc2n1CCC2	PC-id_45864940,EMOLS-id_29687627,ZINC22_40037552,MCULE-2202939865,CoCoCo_4560513	357.405	IZKROJLERAKRLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103066
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CNC(=O)c2cc(on2)C)C1	PC-id_45177504,EMOLS-id_23808078,MCULE-8546432114	357.407	BBGWATCNJRLHTP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103067
c1(C(=O)N2CCCN(CC2)C(=O)Cc2cc(no2)C)c2CCCc2[nH]n1	ZINC22_1529191892,EMOLS-id_316271876,MCULE-4830998756,PC-id_134713194	357.407	IKCDRYGHYMPFOK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-103068
c1(C(=O)NCCN2CCOCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316326195,MCULE-1311138992	357.407	RGIGRFVPGSHNKL-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-103069
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)NCc3ccccc3)C2)n1	EMOLS-id_316331835,MCULE-2535818808	357.407	IDVMAXLAVADITM-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103070
c1(C(=O)NCCOC)cc2n(CC(NC(=O)NCc3ccccc3)C2)n1	MCULE-3477081897	357.407	IDVMAXLAVADITM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103071
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)NCc3ccccc3)Cc12	MCULE-6420294352,EMOLS-id_317444991	357.407	UDVIQGNJSOFCPV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103072
Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)no1	CoCoCo_1173437,CoCoCo_1173439,PC-id_42098299,ZINC22_11664592	357.407	BBGWATCNJRLHTP-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103073
Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)no1	CoCoCo_1173438,ZINC22_11664593,PC-id_42098300,CoCoCo_1173436	357.407	BBGWATCNJRLHTP-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103074
CCCCOC(=O)c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_48017770,EMOLS-id_35712684,MCULE-4445429389,PC-id_53510116	357.407	MSUJPXMGYSFSQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103075
CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2nnc3n2CCC3)cc1	ZINC22_32889112,CoCoCo_4560515,PC-id_40124249,EMOLS-id_24466597,MCULE-5234318867	357.407	MPSYKIKLZPUQPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103076
CCN(C(=O)c1cnc2n1CCC2)[C@H]1CCN(C(=O)Cc2cnoc2)C1	ZINC22_1875408136	357.407	PDEDZSFHCWDEQF-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103077
CCN(C(=O)c1cnc2n1CCC2)[C@@H]1CCN(C(=O)Cc2cnoc2)C1	ZINC22_1875408137	357.407	PDEDZSFHCWDEQF-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103078
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCCc1ccc(cc1)OC	PC-id_134800273	357.407	JTHGHTWUPYXOBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103079
CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCO3)n1C	ZINC22_366016326	357.407	FRWSTHSWEIBCNK-AWEZNQCLSA-N	00000010110010000001100010000000000000000000000000000000	25-01-103080
CNC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCO3)n1C	ZINC22_366016327	357.407	FRWSTHSWEIBCNK-CQSZACIVSA-N	00000010110010000001100010000000000000000000000000000000	25-01-103081
CNC(=O)c1ccc(n1C)C1CCCCN1C(=O)c1cc2n(n1)CCO2	MCULE-8102146594,EMOLS-id_316077533	357.407	FRWSTHSWEIBCNK-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-103082
n12CCCc1nnc2CNC(=O)Nc1ccccc1OCC1CCCO1	MCULE-9366069386,PC-id_118776320,EMOLS-id_68902768	357.407	XVLPROGJJFYLER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103083
O1CCN(C(C(=O)N2Cc3n(ncc3C2)CCO)c2cccnc2)CC1	PC-id_72917291	357.407	BLCBVXKQVAKZBL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-103084
O=c1[nH]c(=O)[nH]c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109896	357.407	UHZWVBGAWZEJJA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-103085
O=C(c1cnn2c1CCC2)N1CCCC(C1)(O)Cc1onc(n1)C1CC1	EMOLS-id_316131434,MCULE-3740557945	357.407	IJAFEGDVNNMJSJ-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-103086
O=C(c1cnn2c1CCC2)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1	ZINC22_818497519	357.407	IJAFEGDVNNMJSJ-GOSISDBHSA-N	00100010100010000001100010000000000000000000000000000000	25-01-103087
O=C(c1cnn2c1CCC2)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1	ZINC22_818497520	357.407	IJAFEGDVNNMJSJ-SFHVURJKSA-N	00100010100010000001100010000000000000000000000000000000	25-01-103088
O=C(c1nn2c(c1)CC(C2)Oc1ccncc1)NCCN1CCOCC1	MCULE-8144527850	357.407	RGIGRFVPGSHNKL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-103089
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)nn(c2NC)C=O	SCHEMBL19312219	357.407	YSXZPMKGUWAYQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103090
O=C(C[C@@H]1C(=O)NCCN1Cc1cocc1)NCc1[nH]nc2c1CCC2	CoCoCo_1386811,CoCoCo_1386815,CoCoCo_1386809,CoCoCo_1386813	357.407	KPILYKYDDMYIMN-MRXNPFEDSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103091
O=C(C[C@H]1C(=O)NCCN1Cc1cocc1)NCc1[nH]nc2c1CCC2	CoCoCo_1386812,CoCoCo_1386810,CoCoCo_1386808,CoCoCo_1386814	357.407	KPILYKYDDMYIMN-INIZCTEOSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103092
O=C(N1Cc2n(ncc2C1)CCO)C1NNC(C1)c1cc(OC)ccc1	PC-id_77919911	357.407	XSCVFMZDKVVDGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103093
O=C(NCc1nnc2n1CCC2)Nc1ccccc1OC[C@H]1CCCO1	ZINC22_299788225	357.407	XVLPROGJJFYLER-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103094
O=C(NCc1nnc2n1CCC2)Nc1ccccc1OC[C@@H]1CCCO1	ZINC22_299788230	357.407	XVLPROGJJFYLER-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103095
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1cccc(c1)C#N	PC-id_90790042	357.408	FSFLFGLEDMHQEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103096
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1ccc(cc1)C#N	PC-id_90951242	357.408	KHKANENIOIDUEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103097
CC(c1ccccc1)N1Cc2c(C1)n[nH]c2NC(=O)c1ccc(cc1)C#N	PC-id_68441347,SCHEMBL2920619	357.408	PKMKRCVOGAJTCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103098
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2918568,PC-id_68440661	357.408	RPPPIJCOEHOVGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103099
N#Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2918570,PC-id_68440662	357.408	WREOWPDLKDUCLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103100
N#Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2920624,PC-id_68441350	357.408	IWVONUXJDCOADL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103101
CCCCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)Cc1cccnc1	PC-id_68442698,SCHEMBL2924138	357.41	HTRWADMPGCLNPU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103102
CCCCNC(=O)NN1Cc2c(C1)c(n[nH]2)N(c1ccncc1)C(=O)C	PC-id_141251735	357.41	ZMASCMZLZVVAQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103103
CCCCNC(=O)NN1Cc2c(C1)c(n[nH]2)NC(=O)Cc1ccncc1	PC-id_68443325,SCHEMBL2925638	357.41	YLVQSPBRNXKUMS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103104
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1ncn(C)n1)C2	EMOLS-id_313735638,ZINC22_1565554036	357.41	PQCJGOMZELWVMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103105
CC(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1cnccc1	PC-id_134788333	357.41	UYVBJEPVFMZKLO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103106
CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)c3cn4c(n3)CCC4)C2)cc[nH]1	PC-id_146113465,ZINC22_1875401763,MCULE-7964376785,EMOLS-id_323957966	357.41	RCECXSLIGUZUDB-YPMHNXCESA-N	00000010100000100001100010000000000000000000000000000000	25-01-103107
CN=c1nc(N2C[C@H](OC)[C@H](NC(=O)c3cnc4n3CCC4)C2)cc[nH]1	ZINC22_1875400885,EMOLS-id_323958478,MCULE-7349796520,PC-id_146113466	357.41	BWLIFIJKLJIAGX-YPMHNXCESA-N	00000010100000100001100010000000000000000000000000000000	25-01-103108
CN=C(N1CCN(CC1)C(=O)c1ccco1)NCc1nnc2n1CCC2	PC-id_111166139	357.41	YQIOWZDSIZBLBQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103109
O=C(Nc1cccc(n1)CN1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_278160820	357.41	WTKKIHUVJLIVEY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-103110
CN=C(N1CCN(C(=O)C1)c1cnn(c1)C)NCc1nnc2n1CCC2	PC-id_109434419	357.414	QSMZJHWAOHUUCV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103111
CCCc1cc2n(c1C(=O)c1ccc(cc1)F)CCC2C(=O)OC(C)C	PC-id_20351620,SCHEMBL11605705	357.419	LOFZDSOQMYLUPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103112
CCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)F	SCHEMBL11601721,PC-id_20351581	357.419	OIZBMCZKZIZFEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103113
Fc1ccc(cc1)CC1(CCCC1O)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_100741590	357.422	OWVYTKKMOWGUCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103114
Fc1ccc(cc1)CC1(CCOCC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318211356	357.422	RUOQHCVETDGBIO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103115
c1(NC(=O)C=Cc2ccccc2OC)sc2c(CCC2)c1C(=O)OC	PC-id_1182169,MCULE-4594531797	357.423	QHXGBXVTQHPKLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103116
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	PC-id_1183655,MCULE-2523336389	357.423	QREFLTWXDHOILR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103117
CCCc1ccc(cc1)C(=O)c1c(cc2n1C=CC2C(=O)O)S(=O)C	PC-id_20235114,SCHEMBL10902817	357.423	BHEMEYGLPAFVEZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-103118
CCCc1ccc(cc1)C(=O)C1C(=Cc2n1ccc2C(=O)O)S(=O)C	SCHEMBL10902821,PC-id_70468890	357.423	IEOHQBUYSKUHCR-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-103119
CCCc1ccc(cc1)C(=O)c1c(cc2n1CC=C2C(=O)O)S(=O)C	SCHEMBL10902824,PC-id_70468891	357.423	MYLYQISBYLOBSX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-103120
CC(C(=O)Nc1cccc(c1)C(=O)C)OC(=O)c1sc2c(c1)CCC2	PC-id_17476100,EMOLS-id_13560118,MCULE-6057697276	357.423	WSTJTJAYEDEHKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103121
C=CCS(=O)c1cc2n(c1C(=O)c1ccccc1)CCC2(C)C(=O)O	PC-id_70450694,SCHEMBL10818182	357.423	LQRCCKNLLMTMNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103122
C=CCS(=O)c1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OC	SCHEMBL10816004,PC-id_70450036	357.423	JQJBZTCVIBCXTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103123
C=CCS(=O)c1ccccc1C(=O)c1ccc2n1CCC2C(=O)OC	SCHEMBL11501240,PC-id_70599828	357.423	CHSAKIUKERCSHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103124
C=CCS(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	SCHEMBL11501241,PC-id_70599829	357.423	WDZRZJLHYKCUDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103125
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)c1	CoCoCo_2840727,PC-id_7291820,ZINC22_4581364	357.423	WSTJTJAYEDEHKB-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103126
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)c1	PC-id_7291821,CoCoCo_2840726,ZINC22_4581365	357.423	WSTJTJAYEDEHKB-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103127
CCOC(=O)c1c(NC(=O)CC(=O)c2ccccc2)sc2CCCc12	EMOLS-id_327800013,MCULE-2603889156	357.423	MWMGXAZUINVXGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103128
COc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_2079532	357.423	QREFLTWXDHOILR-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103129
COc1cccc(c1)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_3314595	357.423	ILWCLXATAQZVNE-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103130
COc1cccc(c1)C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	MCULE-9815641558,PC-id_72087792,EMOLS-id_26076217	357.423	ILWCLXATAQZVNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103131
COc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_2254591,CoCoCo_2079531,CHEMBL1516452,ZINC22_38925781,ChemDIVC322-0003,ChEMBL-DNDi_CHEMBLC322-0003,TIMTEC410063,STOCK3S-14713,SPECS-id_AT-225/NB60163,EMOLS-id_25894157	357.423	QREFLTWXDHOILR-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103132
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)S(=O)C	SCHEMBL10814963,PC-id_20235097	357.423	LVLJWBVFBMOTCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103133
COC(=O)C1(CCn2c1ccc2C(=S)c1ccc(cc1)C)C(=O)OC	SCHEMBL9792281	357.423	GXDCFXWIZGCALZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103134
COC(=O)c1c(NC(=O)/C=Cc2ccccc2OC)sc2c1CCC2	CoCoCo_5041609	357.423	QHXGBXVTQHPKLS-KHPPLWFESA-N	00000010100000110000000010000000000000000000000000000000	25-01-103135
COC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CCC2	EMOLS-id_26455958,SPECS-id_AN-153/I196727,TIMTEC401719,CoCoCo_5041608,SPECS-id_AT-084/J169282,ZINC22_941473,PC-id_1572306	357.423	QHXGBXVTQHPKLS-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103136
COC(=O)c1c(NC(=O)/C=C/c2cccc(OC)c2)sc2c1CCC2	CoCoCo_3314594,ZINC22_12769456,PC-id_17537355	357.423	ILWCLXATAQZVNE-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103137
CSc1cc2n(c1C(=O)c1ccc(cc1)C1CC1)CCC2OC(=O)O	SCHEMBL10811967,PC-id_70449098	357.423	ITCCECDSYVLLDH-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-103138
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CC1)S(=O)C	PC-id_20235104,SCHEMBL10902681	357.423	RWMRCEUCBGFBRI-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-103139
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)CC)cc1	PC-id_7291871	357.423	CWWHWAYGNKHCSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103140
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(cc1)C(=O)C)C	PC-id_45637910	357.423	DKJBXYVMWMWPNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103141
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1)C(=O)C)C	PC-id_78674877	357.423	AJVDNLXXIZYMKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103142
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(cc1)C(=O)C)C	PC-id_7291818	357.423	DKJBXYVMWMWPNJ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103143
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(cc1)C(=O)C)C	PC-id_7291819	357.423	DKJBXYVMWMWPNJ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103144
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1)C(=O)C)C	PC-id_8359352	357.423	AJVDNLXXIZYMKV-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103145
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1)C(=O)C)C	PC-id_8359358	357.423	AJVDNLXXIZYMKV-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103146
S(=O)(c1c(=C(O)c2ccc(CCC)cc2)n2c(c1)c(cc2)C(=O)O)C	PC-id_54735810	357.423	KVQWXDRZYWKPDZ-UHFFFAOYSA-N	00000000100000110000000010000000000000000000000000000000	25-01-103147
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1cc(F)c(OC)cc1	PC-id_7640537	357.424	MLLUQEXJSPUUKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103148
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(OC)ccc(F)c1	PC-id_7640538	357.424	MGJIOGIZTWPAFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103149
Cc1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)ccc1F	EMOLS-id_324834546	357.425	WACUPRLBUYWSGD-ZSOIEALJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-103150
O=C(c1cccc(c1Cl)Br)Nc1sc2c(n1)CCC2	PC-id_103980270	357.653	XRFVTXDCSKMOMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103503
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)Cc1ccc(F)cn1)C2	EMOLS-id_313736146,ZINC22_1565549521	357.425	SRCLCJCGBBFWQH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-103151
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)Nc1ccc(F)cc1)C2	ZINC22_96259137,EMOLS-id_44369824,PC-id_97519226	357.425	YDAJRXKRMMHFLY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103152
Fc1cccc(c1)N1CCN(C(C1)C)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101422935	357.425	VAHUCEWWRVOZMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103153
Fc1cccc(c1)NC(=O)N1Cc2c(C1)n(nc2CN1CCCCC1)C	PC-id_97405344	357.425	OHRPPADMAGGRKO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103154
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)Cc1cccs1	MCULE-2188064061	357.425	WACUPRLBUYWSGD-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-103155
O/C(=c
/n2[n+](c(c(c2C)C)C)c(c1)C(=O)c1ccccc1)/c1ccccc1	PC-id_21784638	357.425	DUQOLQNWVJDXGZ-UHFFFAOYSA-O	00000000100000110001000010000000000000000000000000000000	25-01-103156
O=C(NC(c1nnc2n1CCC2)C)NCC1(CCC1)c1ccccc1F	EMOLS-id_318265458	357.425	DVGRDEILONODEZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-103157
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)CCC(=O)OCC)C1	PC-id_7484574	357.425	JTNBXIZTBSSEFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103158
c12c(CCC1C(=O)NC1CC1)sc(NC(=O)c1ccc(cc1)OC)n2	PC-id_16947945,EMOLS-id_12347953,Chemmine_45428,MCULE-7560368055	357.427	MWPVMMROUPIPNT-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-103159
c1(C(=O)OC)c2CCCc2n(Cc2c(C)oc(c3ccc(C)s3)n2)n1	ZINC22_67867323,PC-id_56754974,MCULE-6980362374,EMOLS-id_36604512	357.427	OYBXHHPGXJKVHO-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-103160
c1(C(=O)OC)c2CCCc2n(Cc2c(C)oc(c3sccc3C)n2)n1	MCULE-8831857918,PC-id_56747214,EMOLS-id_36585900,ZINC22_67818227	357.427	FMHWOFWFKYXZRP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-103161
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NC	MCULE-6730005356,EMOLS-id_334331867	357.427	GZEGIESIALEOKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103162
c1(NC(=O)CCCn2c(C)cc(cc2=O)O)sc2c(CCC2)c1C#N	EMOLS-id_322614112,MCULE-3854868966	357.427	XSQABAWIDWJTMS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103163
c1(NC(=O)Cn2cccc(OCCC)c2=O)sc2c(CCC2)c1C#N	MCULE-4665317776,EMOLS-id_180167076,PC-id_84310886	357.427	ODEZEKDFOXWZJD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103164
c1(NC(=O)CNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-1949560419,EMOLS-id_334331868	357.427	BJCGQWYVHJNFRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103165
c1(NC(=O)COc2cn(c(cc2=O)C)CC)sc2CCCc2c1C#N	EMOLS-id_331629507,MCULE-2487078535	357.427	VXAVYTGCHYTSPF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103166
c1(NC(=O)C(=O)NCCc2ccccc2)sc2c(CCC2)c1C(=O)N	CoCoCo_6533822,ZINC22_6754586,MCULE-1377980950,PC-id_8069345,STOCK6S-11372,EMOLS-id_4741659	357.427	DJGUPAOCQKRCPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103167
c1(NC(=O)NN=Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_19168816,MCULE-8343281704	357.427	ATSABVVWOGLMDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103168
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)OC)C1	MCULE-3792339204,EMOLS-id_323414926	357.427	XPIYGZQSAIKIFB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103169
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2cccc(OC)c2)C1	MCULE-1183873233,EMOLS-id_323382939,PC-id_46604146	357.427	QRTFKVHRTZXALL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103170
C[C@@]1(NC(=O)c2ccccn2)CCN(C(=O)c2coc3c2CSC3)C1	ZINC22_1875407076	357.427	SHBQTYDLOSJQEK-GOSISDBHSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103171
C[C@]1(NC(=O)c2ccccn2)CCN(C(=O)c2coc3c2CSC3)C1	ZINC22_1875407077	357.427	SHBQTYDLOSJQEK-SFHVURJKSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103172
CCCN(Cc1nnc(c2ccco2)o1)C(=O)c1cc2c(s1)CCC2	ZINC22_7718805,PC-id_8833908,CoCoCo_3275518,MCULE-8885382074,EMOLS-id_3547855	357.427	JMMAHAZULFWVAW-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-103173
Cn1ccc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1=O	ZINC22_65066668,MCULE-9571163981,PC-id_75368916,EMOLS-id_48226513	357.427	XQMJZTPJRLSUQI-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-103174
CNC(=O)c1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CCC2	ZINC22_1857529401,MCULE-2866656112,PC-id_146089875,EMOLS-id_324039961	357.427	LFZQSEWQMRPRLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103175
COc1ccccc1N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	EMOLS-id_323356317,MCULE-4006872854	357.427	NNRFGRQOFGBTCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103176
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NC2CC2)cc1	CoCoCo_5124897,PC-id_41007524,ZINC22_9301714	357.427	MWPVMMROUPIPNT-ZDUSSCGKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-103177
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NC2CC2)cc1	PC-id_41007526,ZINC22_9301717,CoCoCo_5124896	357.427	MWPVMMROUPIPNT-CYBMUJFWSA-N	00100010100000110001000010000000000000000000000000000000	25-01-103178
NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	MCULE-2432516109,ZINC22_65595959,EMOLS-id_35731529,PC-id_53518461	357.427	CEEBEZJOOTVZFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103179
O=C(C1CC21CCc1c2cccc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481262	357.427	SYMYMQOJTSCFMT-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-103180
O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1	CoCoCo_3343993,MCULE-8790289719,ZINC22_5931036,EMOLS-id_3330739,PC-id_4878631	357.427	NHQCXYGZEFXLSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103181
O=C(c1cccc(c1)NC(=O)C1CCCO1)Nc1sc2c(n1)CCC2	EMOLS-id_30668871,PC-id_47021790,MCULE-6597796829	357.427	OOHPPJNZZMAOAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103182
O=C(COc1ccc(N2CCCC2=O)cc1)Nc1nc2c(s1)CCC2	EMOLS-id_13496232,PC-id_17457496,ZINC22_14166321,MCULE-2806008776,CoCoCo_4217907	357.427	NPJIVCKTDMLDDE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103183
O=C(Nc1nc2c(s1)CCC2)c1cccc(NC(=O)[C@H]2CCCO2)c1	PC-id_33041153,ZINC22_25769446	357.427	OOHPPJNZZMAOAC-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103184
O=C(Nc1nc2c(s1)CCC2)c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC22_25769445,PC-id_33041152	357.427	OOHPPJNZZMAOAC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103185
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1	PC-id_9273139	357.427	KENIRBPSDMRTHY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103186
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)C)c(cc1)C	PC-id_46471907	357.427	JRAOQXJSDWPNTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103187
s1c2CCCc2cc1C(=O)NNC(=O)CNC(=O)c1c(cccc1)C	PC-id_51166588	357.427	GKEOVJIMQDXLIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103188
s1c2CCCc2cc1C(=O)NNC(=O)CNC(=O)Cc1ccccc1	PC-id_27684907	357.427	WXOBTYVBWBSLKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103189
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCC=C	PC-id_16947839	357.427	PFCDLIXDRKCYPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103190
S1Cc2c(onc2C1)NC(=O)C1CN(C(=O)C1)c1cc(c(cc1)C)C	PC-id_49719095	357.427	DTEQPYAIWZFRKE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103191
CN=C(N1CCN(CC1)c1ccccc1F)NCc1nnc2n1CCC2	PC-id_111148179	357.428	NIHLZRNRRZVLPY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103192
CN=C(N1CCN(CC1)c1ccc(cc1)F)NCc1nnc2n1CCC2	PC-id_111164893	357.428	MSNCGJNMKFWEOE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103193
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)C=Cc1ccccc1	MCULE-3402050172	357.428	VCXDRILZARENEF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103194
O=c1/c(=C/C=C/c2ccccc2)/sc2nc(/C=C/c3ccccc3)nn12	EMOLS-id_45970432,ZINC22_16779412	357.428	VCXDRILZARENEF-DWVGNRLYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103195
Cc1c2n(CCO2)nc1C(=O)NCCN1CCN(CC1)S(=O)(=O)C	PC-id_91959917	357.429	DZPKBQRPVMZLAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103196
CCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1	PC-id_91959801	357.429	KWOFJLANWAGNGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103197
c12SCCn1cc(CNC(=O)c1ccc(c(c1)N1CCNC1=O)C)n2	MCULE-7978604105,EMOLS-id_44704789,PC-id_70716756,ZINC22_91380946	357.43	KHUYNARKGLRCEZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103198
c1(NC(=O)C2CC(=O)N(Cc3ccccn3)C2)n(C)nc2CSCc12	MCULE-4115636357,EMOLS-id_316213825	357.43	FHEIMIKBDZLOGV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103199
c1(snnc1C)C(=O)N(Cc1ccco1)Cc1c2CCCc2n(C)n1	MCULE-9348551934,PC-id_86266528,EMOLS-id_50145230	357.43	MURSZCNIKJZBBH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-103200
Cc1cccc(c1)S(=O)(=O)N1Cc2c(C1)n(nc2Cn1cncc1)C	PC-id_97413566	357.43	SODZTEZHMINNNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103201
Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(Cc3ccccn3)C1)CSC2	ZINC22_1506415646	357.43	FHEIMIKBDZLOGV-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103202
Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)CSC2	ZINC22_1506415648	357.43	FHEIMIKBDZLOGV-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-103203
N#Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201278	357.43	RLVKDZZMHYPSIT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103204
O=C(C1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1nnc2n1CCS2	PC-id_22582992,EMOLS-id_16349519	357.43	GMCZTVLWEFFNGS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103205
O=C([C@@H]1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1nnc2n1CCS2	CoCoCo_2590560	357.43	GMCZTVLWEFFNGS-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103206
O=C([C@H]1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1nnc2n1CCS2	CoCoCo_2590561	357.43	GMCZTVLWEFFNGS-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103207
O=C(NCCc1cn2c(n1)SCC2)c1ccnc(NC(=O)C2CC2)c1	MCULE-9846198864,ZINC22_286095252,EMOLS-id_316801924	357.43	ODSXXJFDSICSIU-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-103208
CCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccco1	PC-id_20356154,SCHEMBL11657487	357.443	VVOAFBYKMSDOEL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103209
CCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1cocc1	SCHEMBL11663383,PC-id_20356133	357.443	GJWPRIVXCCKNSY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103210
O=C(c1sc2c(c1)CCC2)Nc1cnc(c(c1)Br)Cl	PC-id_113434263	357.653	LSBNFMDZRUSTFD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103504
c1(NC(=O)CC2CCS(=O)(=O)C2)sc2c(CCC2)c1C(=O)OC	MCULE-7985090535,EMOLS-id_5417244,PC-id_5056674	357.445	KSDWKJJAAOZOFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103211
CCOC(=O)C(=C(c1ccc2n1CCC2)c1ccccc1)c1ccccc1	SCHEMBL9531456,PC-id_54282776	357.445	RRYSUCGPRNBUHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103212
CCOC(=O)C(=C(c1ccccc1)c1ccccc1)c1ccc2n1CCC2	PC-id_139773324	357.445	JYVPBFGGJRTVNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103213
CCOC(=O)C(=C(c1ccccc1)c1ccccc1)C1CCn2c1ccc2	PC-id_67855981,SCHEMBL9458507	357.445	SFUHOENANDSIIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103214
CCOC(=O)C(=C(C1CCn2c1ccc2)c1ccccc1)c1ccccc1	PC-id_142629731	357.445	PZMKZAJNPPUGDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103215
COC(=O)c1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc2c1CCC2	PC-id_7222798,ZINC22_4392533	357.445	KSDWKJJAAOZOFA-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-103216
COC(=O)c1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc2c1CCC2	ZINC22_4392540,PC-id_7222800	357.445	KSDWKJJAAOZOFA-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103217
Fc1ccccc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324904452	357.445	GBUKURAMVTUGCW-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-103218
Fc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324903428	357.445	XOOFSLFLYSXCJP-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-103219
Fc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324905478	357.445	BRWBHSKGMKOWII-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-103220
Fc1c(C[NH+]2C[C@H](N(C(=O)c3n[nH]c4c3CCC4)C)CCC2)cccc1	PC-id_26394383	357.445	BYFXCBHXJBZOCW-OAHLLOKOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103221
Fc1c(C[NH+]2C[C@@H](N(C(=O)c3n[nH]c4c3CCC4)C)CCC2)cccc1	PC-id_26394385	357.445	BYFXCBHXJBZOCW-HNNXBMFYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103222
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCC1CCCCC1	MCULE-1367226327	357.445	GBUKURAMVTUGCW-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-103223
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCC1CCCCC1	MCULE-3450463804	357.445	BRWBHSKGMKOWII-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-103224
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)CCC1CCCCC1	MCULE-5180018696	357.445	XOOFSLFLYSXCJP-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-103225
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccc(F)cc1)C)C#N	PC-id_24589117	357.445	ROGMDXLVVQOQNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103226
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(F)cccc1)C)C#N	PC-id_24588978	357.445	GSBSTJQNHODXGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103227
s1c2CCCc2c(c1NC(=O)CCN(CC)c1ccc(F)cc1)C#N	PC-id_56525360	357.445	XQKXMXLAFZDXJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103228
s1c2CCCc2c(c1NC(=O)CCN(CC)c1cc(F)ccc1)C#N	PC-id_56525328	357.445	GJIJUYJMGGHFNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103229
s1c2c(CCC2)c(c1NC(=O)CSCC(=O)OCC)C(=O)OC	PC-id_16525453	357.445	VSFRBHJWKCSZER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103230
S1(=O)(=O)C[C@H](N(C)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_7291904	357.445	ZVLKRDUWUCYKNR-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103231
S1(=O)(=O)C[C@@H](N(C)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_7291905	357.445	ZVLKRDUWUCYKNR-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-103232
S1(=O)(=O)CC(N(C)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_18777867	357.445	ZVLKRDUWUCYKNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103233
S1(=O)(=O)CC(NC(=O)COC(=O)c2sc3CCCc3c2)(CC1)C	PC-id_16505579	357.445	ZHZWYMMYWKUJFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103234
S1(=O)(=O)C[C@@](NC(=O)COC(=O)c2sc3CCCc3c2)(CC1)C	PC-id_7623530	357.445	ZHZWYMMYWKUJFJ-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103235
S1(=O)(=O)C[C@](NC(=O)COC(=O)c2sc3CCCc3c2)(CC1)C	PC-id_7623531	357.445	ZHZWYMMYWKUJFJ-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103236
c1(C(=O)NCCc2ccc(OCC)c(OCC)c2)c2CCCc2n(C)n1	EMOLS-id_320482573,MCULE-7733207332,PC-id_84465955	357.447	KJQNWIZPYDQUJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103237
c1(NC(=O)C2CCCN2S(=O)(=O)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_43484027,PC-id_49698324,MCULE-6953600537	357.448	JLLYSJBEDQDWGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103238
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_44357018,PC-id_93987682	357.448	JLLYSJBEDQDWGE-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103239
CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_44357022,PC-id_93987683	357.448	JLLYSJBEDQDWGE-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-103240
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccnc(c1)C1CC1	EMOLS-id_328223613,MCULE-7130957169	357.448	IDZOCAMHTAJUEH-UHFFFAOYSA-N	00100010100000111000100010000000000000000000000000000000	25-01-103241
C1Cc2c(n(c(=O)n2C1)CCCN1CCN(CC1)c1cc(ccc1)N)O	PC-id_91931498,BindingDB_PC-id_91931498	357.45	LEQBDAJRMRWMIC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103242
c1(CN2CCN(CC2)Cc2cc(OC)ccc2OC)nnc2CCCn12	EMOLS-id_337865339,PC-id_165435284,MCULE-1669743757	357.45	UXEWBWOXJGPJJB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103243
c1(cn(C)nc1OC)C(=O)N(C1CCCC1)Cc1c2CCCc2n(C)n1	MCULE-8605029445,EMOLS-id_50145348,PC-id_86266590	357.45	SYBSKQUIRBBNIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103244
c1(C(=O)NCCCN(CC)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316327730,MCULE-6544427398	357.45	ZMHDBWITFPRXAU-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103245
Cc1c(c(nn1C(C)CC(=O)N(C)Cc1n[nH]c2c1CCC2)C)C(=O)C	PC-id_135109394	357.45	ZLWPIXHGNLYNHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103246
CCC1c2c(n[nH]c2C(N1C(C)(C)C)(C)C)Nc1cccc(c1)[N+](=O)[O-]	PC-id_121438537,SCHEMBL17872134	357.45	UKEWDIFBLQFQJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103247
CCN(CCCNC(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)CC	MCULE-9910008427	357.45	ZMHDBWITFPRXAU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103248
CN1CCN(CC1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109595	357.45	RSSBVQGXLZWITN-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103249
CNc1n[nH]c2c1CN(C2(C)C)C(=O)NC(C(O)(C)C)c1ccccc1	SCHEMBL19311917	357.45	RWPBHHOLVHUVKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103250
CNc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccccc1)CN(C)C	PC-id_143492478	357.45	ZTGSKQKIRVIOTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103251
COc1cc(CN2CCC(C2)NC2CC(n3c2ncn3)C)cc(c1)OC	MCULE-5360677357,EMOLS-id_258182625	357.45	TVRXARDQOVVCPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103252
O=C(NC(c1n2CCCc2nn1)C(C)C)N(Cc1cc(OC)ccc1)C	PC-id_60273955	357.45	ZOYBMUAEOFYCQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103253
O=C(NC(c1n2CCCc2nn1)C(C)C)NCCc1ccc(OC)cc1	PC-id_60273897	357.45	GBGRLDKSWHFEAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103254
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OC)cc1)C#N	PC-id_4955479	357.45	VGSBAGUTXOSYPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103255
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OC)cccc1)C#N	PC-id_4955506	357.45	XWNGPMJEYLCNBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103256
s1c2CCCc2nc1NC(=O)c1nc(sc1)c1ccc(OC)cc1	PC-id_33040447	357.45	SKQASQOVBGRNKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103257
CN(C(=O)ON=C1n2ccnc2SC1(C)C)SN1CCOCC1	SCHEMBL11182496,PC-id_54121119	357.452	NNTOPIIBOKBLIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103258
c1(CN2CCC(CC2)CN(C)c2nccnc2OC)nnc2CCCn12	EMOLS-id_320437863,ZINC22_1888843785,MCULE-3577148155,PC-id_145883539	357.453	PXTRRUYXUSFPBC-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103259
Cc1c(c(n[nH]1)C)C1CCCCCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_48318444,PC-id_86769856,MCULE-8194837003	357.453	HPVADJWJGWVWSS-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-103260
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1nnc2n1CCC2	PC-id_97257539,ZINC22_95461087	357.453	HPVADJWJGWVWSS-AWEZNQCLSA-N	00000010100000000101100010000000000000000000000000000000	25-01-103261
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1nnc2n1CCC2	ZINC22_95461088,PC-id_97257540	357.453	HPVADJWJGWVWSS-CQSZACIVSA-N	00000010100000000101100010000000000000000000000000000000	25-01-103262
CC(C1OCCCC1Nc1ccnc(n1)NCc1nnc2n1CCC2)C	EMOLS-id_316056557,MCULE-4470072918	357.453	CNEFGNVQBTWMBW-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103263
CC(C1OCCCC1Nc1ncnc(c1)NCc1nnc2n1CCC2)C	MCULE-9070677064,EMOLS-id_316024626	357.453	PEUPGGWQXXIOMV-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103264
CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NCc2nnc3n2CCC3)ncn1	ZINC22_328638576	357.453	PEUPGGWQXXIOMV-ACJLOTCBSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103265
CC(C)[C@H]1OCCC[C@H]1Nc1cc(NCc2nnc3n2CCC3)ncn1	ZINC22_328638577	357.453	PEUPGGWQXXIOMV-FZKQIMNGSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103266
CC(C)[C@H]1OCCC[C@@H]1Nc1cc(NCc2nnc3n2CCC3)ncn1	ZINC22_328638578	357.453	PEUPGGWQXXIOMV-SCLBCKFNSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103267
CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2nnc3n2CCC3)ncn1	ZINC22_328638579	357.453	PEUPGGWQXXIOMV-UGSOOPFHSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103268
CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(NCc2nnc3n2CCC3)n1	ZINC22_328624559	357.453	CNEFGNVQBTWMBW-CXAGYDPISA-N	00000010100010100001000010000000000000000000000000000000	25-01-103269
CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(NCc2nnc3n2CCC3)n1	ZINC22_328624560	357.453	CNEFGNVQBTWMBW-DYVFJYSZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103270
CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(NCc2nnc3n2CCC3)n1	ZINC22_328624561	357.453	CNEFGNVQBTWMBW-GUYCJALGSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103271
CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(NCc2nnc3n2CCC3)n1	ZINC22_328624562	357.453	CNEFGNVQBTWMBW-SUMWQHHRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103272
C[C@H](N[C@@H]1CCN(Cc2cn(C)nc2C(=O)N)C1)c1cc2n(n1)CCC2	ZINC22_1775961451	357.453	AZNFKTTWAKQXTP-GXTWGEPZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103273
C[C@H](N[C@H]1CCN(Cc2cn(C)nc2C(=O)N)C1)c1cc2n(n1)CCC2	ZINC22_1775961452	357.453	AZNFKTTWAKQXTP-JSGCOSHPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103274
C[C@@H](N[C@H]1CCN(Cc2cn(C)nc2C(=O)N)C1)c1cc2n(n1)CCC2	ZINC22_1775961453	357.453	AZNFKTTWAKQXTP-OCCSQVGLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103275
C[C@@H](N[C@@H]1CCN(Cc2cn(C)nc2C(=O)N)C1)c1cc2n(n1)CCC2	ZINC22_1775961454	357.453	AZNFKTTWAKQXTP-TZMCWYRMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103276
Cn1nc(c(c1)CN1CCC(C1)NC(c1nn2c(c1)CCC2)C)C(=O)N	MCULE-2590321359,EMOLS-id_316777121	357.453	AZNFKTTWAKQXTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103277
CNc1cc(N2C[C@H](O)C[C@@H]2CNCc2c3c(nn2C)CCC3)ncn1	ZINC22_1857532914,PC-id_146112207,MCULE-3317258497,EMOLS-id_323994072	357.453	MSKPSGULTUZWDG-CHWSQXEVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103278
CN=c1nc(N2C[C@H](OC)[C@H](NCc3c4c(nn3C)CCC4)C2)cc[nH]1	PC-id_146112095,ZINC22_1875397531,MCULE-2402695176,EMOLS-id_323992279	357.453	CZDQZVOQFDFWSX-ZBFHGGJFSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103279
CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cc3n(n2)CCC3)ncn1	MCULE-9788200230,PC-id_145912128,EMOLS-id_323953859,ZINC22_1875398196	357.453	GHPRNZYQSHJVAE-HZPDHXFCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103280
CN=C(NCc1nnc2n1CCC2)NCC(c1ccco1)N1CCCC1	PC-id_111008859	357.453	QIUKOPWVEPGVCS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-103281
CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1cnn2c1CCC2	ZINC22_2325785352	357.453	RFIGQNCXIYBNAR-GOEBONIOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103282
O=C(NC1CC(n2c1ncc2)C)NC1CCCN(C1)c1cc(nn1C)C	EMOLS-id_101421675,MCULE-4501950512	357.453	ZAMRGXICZWABTC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103283
Cc1nn2c(n1)C(=NNc1n[nH]c(c1[NH2+][CH2-])C(C)(C)C)C(=N2)C(C)(C)C	PC-id_88566922	357.457	GZONWWKYRLPNDD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-103284
c12CCCc1c(C(=O)OCC)c(NC(=O)C(CC)c1ccccc1)s2	PC-id_4150087,EMOLS-id_5389072,MCULE-1491828817	357.467	BJIPJNJOSLOELK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103285
c1(C)c(C)ccc(CC(=O)Nc2sc3CCCc3c2C(=O)OCC)c1	MCULE-3483415223,EMOLS-id_327880422,PC-id_41619584	357.467	KPHJOCKAALFIMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103286
c1(C)c(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(C)cc(c1)C	EMOLS-id_327875050,MCULE-6588177621	357.467	ZASDMGAAYRGVOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103287
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	SPECS-id_AG-690/36924065,EMOLS-id_563231,MCULE-5554295457,PC-id_1000246,CoCoCo_77209,BAS-00472893,ZINC22_655391,TIMTEC539327	357.467	WZMFQGOOHMUOTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103288
c1(NC(=O)c2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_4277923,MCULE-7179889146,EMOLS-id_327966869	357.467	MGCLIGLWQUDUSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103289
c1(NC(=O)c2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)OCCC	PC-id_1758611,MCULE-6180508088,EMOLS-id_4035463,SPECS-id_AK-968/40732334,TIMTEC72480,ZINC22_2103390,CoCoCo_5831976	357.467	BEOIHYZFLZADAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103290
c1(NC(=O)CCc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-2003960301,PC-id_19220486,EMOLS-id_327993284	357.467	QXNOMWSUEDRCBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103291
Cc1ccc(cc1)C(=O)c1c(NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_331269975	357.467	KODZOXVIEOTZHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103292
Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2c(s1)CCC2	EMOLS-id_3468616,CoCoCo_2840977,MCULE-4682411536,ZINC22_5308722,PC-id_4803439	357.467	KQADAFDTBBJDLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103293
CCc1cc2n(c1C(=O)c1cccs1)CC=C2C(=O)OCCC(C)C	SCHEMBL11659633,PC-id_70628746	357.467	FIZCYPPEOOPCGB-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-103294
CCCc1ccc(cc1)C(=O)c1c(SC)cc2n1CCC2(C)C(=O)O	PC-id_70449644,SCHEMBL10814429	357.467	WNIIURONMZWREH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103295
CCCc1ccc(cc1)C(=O)c1c(SC)cc2n1CCC2C(=O)OC	PC-id_14570932,SCHEMBL10811417	357.467	QCGOPVNUBDEKJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103296
C(C)(C)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-7444610929,EMOLS-id_328226960	357.467	SIQCCRRLXCNMDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103297
CCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	PC-id_20235094,SCHEMBL10813968	357.467	OKHSDIKEQQPBNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103298
CCCCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)SC	PC-id_70585997,SCHEMBL11437954	357.467	QLPKFEHUBKQDDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103299
CCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)SC	SCHEMBL11437953,PC-id_23333057	357.467	LMSZZFJLPYHMRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103300
CCCCSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_23333051,SCHEMBL11451465	357.467	GLTBXAAQTGXFJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103301
CCCCSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	SCHEMBL11451466,PC-id_70588592	357.467	ZLPQUBSNCMWNDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103302
C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cc2c(s1)CCC2	PC-id_7291956,CoCoCo_2840949,ZINC22_4581564	357.467	NYAVIMRXUVPLBD-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103303
C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_4581563,CoCoCo_2840948,PC-id_7291955	357.467	NYAVIMRXUVPLBD-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103304
CC(NC(=O)COC(=O)c1sc2c(c1)CCC2)CCc1ccccc1	EMOLS-id_3520660,PC-id_16258266,MCULE-2007478363	357.467	NYAVIMRXUVPLBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103305
CCOC(=O)c1c(NC(=O)CCc2ccccc2C)sc2CCCc12	EMOLS-id_327934630,MCULE-5946920301	357.467	QBOBSPRGZLMUBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103306
CCOC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CCC2	PC-id_105537893	357.467	VUAFMEYVKHPCAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103307
CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)CC)sc2c1CCC2	PC-id_92290134	357.467	BJIPJNJOSLOELK-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103308
CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)CC)sc2c1CCC2	PC-id_92290196	357.467	BJIPJNJOSLOELK-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103309
COc1ccc(c(c1)C1CCCN1C(=O)c1sc2c(c1)CCC2)OC	PC-id_17392160,MCULE-9192679250,EMOLS-id_11898128	357.467	FGAUYBNMJOQYAF-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103310
COc1ccc(c(c1)OC)C1CCCN1C(=O)c1sc2c(c1)CCC2	PC-id_17408817,EMOLS-id_11928606,MCULE-9951678211	357.467	LRNKESJTCLOIDY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103311
COc1ccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c(OC)c1	CoCoCo_4289938,PC-id_41200934,ZINC22_9762592	357.467	LRNKESJTCLOIDY-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103312
COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c(OC)c1	ZINC22_9762591,CoCoCo_4289939,PC-id_41200933	357.467	LRNKESJTCLOIDY-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103313
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c1	PC-id_41292016,CoCoCo_4276732,ZINC22_9952272	357.467	FGAUYBNMJOQYAF-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103314
COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c1	ZINC22_9952274,PC-id_41292017,CoCoCo_4276733	357.467	FGAUYBNMJOQYAF-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103315
COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1SCC(C)C	PC-id_23333037,SCHEMBL11443558	357.467	RWCFYOXEJVTBRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103316
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)SCC(C)C	PC-id_23333045,SCHEMBL11443509	357.467	MVXNEMKAWRKNML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103317
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)SC(C)(C)C	PC-id_23333056,SCHEMBL11444441	357.467	SBUGQVFEVUKISL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103318
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)SCC(C)C	PC-id_23333076,SCHEMBL11438357	357.467	RRBCCNBSOYGEPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103319
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)SCC(C)C	PC-id_70586079,SCHEMBL11438360	357.467	LDGMPCNGKDOUKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103320
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)SC(C)(C)C	SCHEMBL11444442,PC-id_70587389	357.467	ZXTRVBDUMIEWQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103321
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)SC(C)(C)C	SCHEMBL11451559,PC-id_23333104	357.467	FFMQYLXUYAZJBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103322
CSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OCC(C)C	PC-id_23333148,SCHEMBL11443431	357.467	GUAJXEHNTZFTTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103323
CSc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC(C)(C)C	SCHEMBL11441752,PC-id_23333117	357.467	KXTHSCNUTAKZBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103324
CSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OCC(C)C	PC-id_70587149,SCHEMBL11443432	357.467	LECJKEXJWZKLKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103325
CSc1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC(C)(C)C	SCHEMBL11441753,PC-id_70586789	357.467	SAQFYPREXCRNHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103326
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(cc(cc1C)C)C)C	PC-id_45637962	357.467	WBJPNBGKZUAICX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103327
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(CC)cccc1CC	PC-id_7238930	357.467	IOGOILHKACPAKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103328
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(C(C)C)cccc1)C	PC-id_78674822	357.467	UUMZOMAVHWIGNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103329
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(C(C)(C)C)cccc1	PC-id_45637921	357.467	VIRUQVMWOVHVSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103330
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_7238920	357.467	BLJVKYNELLKJBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103331
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(CCCC)cc1	PC-id_7238964	357.467	OXFUPCOZTRQSKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103332
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(C(CC)C)cc1	PC-id_78464115	357.467	DZPJQGGZOOVHOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103333
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(C(CC)C)cccc1	PC-id_78464116	357.467	DLWNTHKSJNORFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103334
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc([C@@H](CC)C)cc1	PC-id_7238943	357.467	DZPJQGGZOOVHOW-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103335
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc([C@H](CC)C)cc1	PC-id_7238946	357.467	DZPJQGGZOOVHOW-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103336
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([C@@H](CC)C)cccc1	PC-id_7238960	357.467	DLWNTHKSJNORFA-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103337
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([C@H](CC)C)cccc1	PC-id_7238961	357.467	DLWNTHKSJNORFA-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103338
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1ccc(cc1)CC)C	PC-id_45637908	357.467	IZNMRSVIERAKBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103339
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1cc(c(cc1)C)C)C	PC-id_45637909	357.467	DNRUFZQJHHFZJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103340
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1c(cc(cc1)C)C)C	PC-id_7627930	357.467	HQAVAUKTMFTNIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103341
s1c2CCCc2cc1C(=O)OCC(=O)NC(CC)c1ccc(cc1)C	PC-id_78514005	357.467	PGMAEYZWAQVJTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103342
s1c2CCCc2cc1C(=O)OCC(=O)NC(CCC)c1ccccc1	PC-id_78509421	357.467	DGQAEGSQKUWWJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103343
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](c1ccc(cc1)CC)C	PC-id_7623542	357.467	IZNMRSVIERAKBN-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103344
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](c1ccc(cc1)CC)C	PC-id_7623544	357.467	IZNMRSVIERAKBN-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103345
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](c1cc(c(cc1)C)C)C	PC-id_7623551	357.467	DNRUFZQJHHFZJM-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103346
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](c1cc(c(cc1)C)C)C	PC-id_7623553	357.467	DNRUFZQJHHFZJM-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103347
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](CC)c1ccc(cc1)C	PC-id_7623611	357.467	PGMAEYZWAQVJTD-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103348
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](CC)c1ccc(cc1)C	PC-id_7623614	357.467	PGMAEYZWAQVJTD-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103349
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](CCC)c1ccccc1	PC-id_7594763	357.467	DGQAEGSQKUWWJX-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103350
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](CCC)c1ccccc1	PC-id_7594764	357.467	DGQAEGSQKUWWJX-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103351
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cc(cc1C)C)C)C	PC-id_7238903	357.467	WBJPNBGKZUAICX-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103352
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cc(cc1C)C)C)C	PC-id_7238904	357.467	WBJPNBGKZUAICX-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103353
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(C(C)C)cccc1)C	PC-id_8359116	357.467	UUMZOMAVHWIGNP-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103354
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(C(C)C)cccc1)C	PC-id_8359123	357.467	UUMZOMAVHWIGNP-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103355
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1C)C)C)C(=O)OC	PC-id_25906609	357.467	GWFKAGGXCVOHCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103356
s1c2c(CCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)OCC	PC-id_41618306	357.467	SZKGKHPLXMSLPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103357
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)OCC	PC-id_41618599	357.467	DFNPZFKOKIHVOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103358
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1)C)C)C(=O)OCC	PC-id_7596899	357.467	NQANRYHGSXDPJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103359
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(C(C)C)cc1)C(=O)OC	PC-id_41362475	357.467	QDVLXXYIJPPPSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103360
CCN1CCN(CC1)c1ccc(cc1C(NC1CCn2c1ncc2)C)F	EMOLS-id_318084858	357.468	VVNFXWJBCDPVGM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103361
CCOC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCC2	MCULE-6620305201,PC-id_17200398,ZINC22_20567920,CoCoCo_1989795,EMOLS-id_21949626	357.468	ZGELBONMIHVWBO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-103362
CN1CCN(CC1)c1ccc(cc1C(NC1CC(n2c1ncc2)C)C)F	EMOLS-id_318010515	357.468	QQYNWATWEDETFM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103363
O=C(N1Cc2c(C1)nc(n2C(C)C)S(=O)(=O)C(C)C)OC(C)(C)C	SCHEMBL17380704,PC-id_118614432	357.468	IXKQITSDUTUOMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103364
c1(C(=O)NCC2(CCCN(c3ccccn3)C2)O)cc2c(CCC2)s1	BDE-33796419,MCULE-5279098919,PC-id_110124023,EMOLS-id_44406980	357.47	PTTLHOXSHVRYFB-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-103365
c1(NC(=O)CCCCCNC(=O)c2ccccc2)sc2c(CCC2)n1	MCULE-9834260241,EMOLS-id_334662872	357.47	QHBUNAGPIDXEPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103366
c1(NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-3018818925,TIMTEC107956,ZINC22_4840287,CoCoCo_582495,PC-id_2987109,EMOLS-id_2272869	357.47	CSBDRYYXKWMJND-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103367
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-7319379953,TIMTEC468153,CoCoCo_582356,ZINC22_4840207,PC-id_2987010,EMOLS-id_2272815	357.47	TXWUHIRRZQONAJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103368
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)n1	EMOLS-id_334661329,MCULE-8892808085	357.47	MTENOYYHGRPGHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103369
CC1Cc2c(N1CCN1CCOCC1)sc(c2)C(=O)c1cccnc1	SCHEMBL14670815,PC-id_71244243	357.47	RGLBVLNYNWXGOS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-103370
CC1(C)Cc2cc(C(=O)N3CCC(O)(c4cncnc4)CC3)sc2C1	ZINC22_2325813089	357.47	KJNMVGBOBDSCHZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103371
Cc1cc(ccc1NC(=O)c1nn2c(c1)OCC2)SC1CCCCC1	EMOLS-id_99552656	357.47	FQCGQUKPKYOBSF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103372
Cc1cc(C)cc(c1)C1=CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100214053	357.47	UNOBVAPIFYMQHV-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-103373
CC(C)(C)c1cc(/C=c/2sc3ncnn3c2=O)cc(c1O)C(C)(C)C	EMOLS-id_45963433,ZINC22_6306033	357.47	RVGBEHWGNZYJBX-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103374
CC(C)(C)c1cc(/C=c/sc3ncnn3c2=O)cc(C(C)(C)C)c1O	ZINC22_95951082	357.47	RVGBEHWGNZYJBX-NTEUORMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103375
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)/C=C
/N=c2c(=N1)sc(=O)[nH]2	PC-id_136453316	357.47	UGILRDFAGSJJDT-LCYFTJDESA-N	00000010100000110001000010000000000000000000000000000000	25-01-103376
CCC(CC)c1nc2s/c(=Cc3cccc(OC(C)C)c3)/c(=O)n2n1	EMOLS-id_324855009	357.47	AFKXZYQHHIXOGZ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103377
CCCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)c1	EMOLS-id_324853985	357.47	TUDUBWZUTYFHKH-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103378
CCN(c1ccc(c(c1)O)/C=N/c1sc2c(c1C(=O)N)CCC2)CC	CoCoCo_3762766,PC-id_135615118	357.47	XAOGYPCNSNEELR-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103379
CCN(c1ccc(c(c1)O)/C=Nc1sc2c(c1C(=O)N)CCC2)CC	CoCoCo_3762767	357.47	XAOGYPCNSNEELR-NHDPSOOVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103380
CCN(c1ccc(c(c1)O)C=Nc1sc2c(c1C(=O)N)CCC2)CC	MCULE-7864995713,EMOLS-id_26177765	357.47	XAOGYPCNSNEELR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103381
CNc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)N1CCOCC1	SCHEMBL20353940,PC-id_135200358	357.47	VKCDHKXGFJUXAL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103382
n12c(=O)c(=Cc3cccc(OC(C)C)c3)sc1nc(C(CC)CC)n2	MCULE-7718904016	357.47	AFKXZYQHHIXOGZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103383
n12c(=O)c(=Cc3cccc(OCCC)c3)sc1nc(C(CC)CC)n2	MCULE-9335856880	357.47	TUDUBWZUTYFHKH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103384
n12ncnc1sc(=Cc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)c2=O	MCULE-7325716121,EMOLS-id_9820966	357.47	RVGBEHWGNZYJBX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103385
n1c2CCCc2sc1CCNC(=O)c1ccccc1N1CCOCC1	ZINC22_299777203,PC-id_118782223,MCULE-9050640447,EMOLS-id_68914708	357.47	PIPPOYWGJDYKAI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103386
o1c(c(C[NH+]2CCCC2)cc1C(=O)N(Cc1n[nH]c2c1CCC2)C)CC	PC-id_52386615	357.47	RXNRIJDPBQCNNQ-UHFFFAOYSA-O	00000010101000000001000010000000000000000000000000000000	25-01-103387
OC1CN(C(C1)c1ccccc1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010926	357.47	YSPDBDWMAACWJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103388
O=c1[nH]c2=NC(=Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)N=c2s1	SCHEMBL6416687	357.47	UGILRDFAGSJJDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103389
O=C(N1CCOC(C1)c1ccccc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000042	357.47	SILXPLMBYVKDRB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103390
O=C(N1CCOCC1c1ccccc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003651	357.47	NAMVHKUTQSDCQW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103391
O=C(NC[C@@]1(O)CCCN(c2ccccn2)C1)c1cc2c(s1)CCC2	ZINC22_257288326	357.47	PTTLHOXSHVRYFB-IBGZPJMESA-N	00000010100010101000100010000000000000000000000000000000	25-01-103392
O=C(NC[C@]1(O)CCCN(c2ccccn2)C1)c1cc2c(s1)CCC2	ZINC22_257288327	357.47	PTTLHOXSHVRYFB-LJQANCHMSA-N	00000010100010101000100010000000000000000000000000000000	25-01-103393
s1c2c(CCC2)c(c1N/C=C/1C(=O)C=C(N(CC)CC)C=C1)C(=O)N	PC-id_6521132	357.47	MKPHRTFEORMXCO-QXMHVHEDSA-N	00000010100011000000000010000000000000000000000000000000	25-01-103394
s1c2c(CCC2)c(c1NC=C1C(=O)C=C(N(CC)CC)C=C1)C(=O)N	PC-id_6815772	357.47	MKPHRTFEORMXCO-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-103395
Brc1c(F)cc(C(NC)c2sc3c(CCC3)c2)c(F)c1	PC-id_64212104	358.244	XCKVGDFUXARHRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103568
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1ccccc1)C)C)C(=O)N	PC-id_9274750	357.47	VRIJCLTXKCIBSK-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103396
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1ccccc1)C)C)C(=O)N	PC-id_9274753	357.47	VRIJCLTXKCIBSK-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103397
s1c2c(CCC2)c(c1NC(=O)[C@@H](N[C@H](c1ccccc1)C)C)C(=O)N	PC-id_9248777	357.47	SSUZIXFQPLNCDK-RYUDHWBXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103398
s1c2c(CCC2)c(c1NC(=O)[C@@H](N[C@@H](c1ccccc1)C)C)C(=O)N	PC-id_9248779	357.47	SSUZIXFQPLNCDK-NEPJUHHUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103399
s1c2c(CCC2)c(c1NC(=O)[C@H](N[C@H](c1ccccc1)C)C)C(=O)N	PC-id_9248781	357.47	SSUZIXFQPLNCDK-NWDGAFQWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103400
s1c2c(CCC2)c(c1NC(=O)[C@H](N[C@@H](c1ccccc1)C)C)C(=O)N	PC-id_9248783	357.47	SSUZIXFQPLNCDK-VXGBXAGGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103401
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1ccccc1)C)C)C(=O)N	PC-id_46646564	357.47	VRIJCLTXKCIBSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103402
s1c2c(CCC2)c(c1NC(=O)C(NC(c1ccccc1)C)C)C(=O)N	PC-id_84963158	357.47	SSUZIXFQPLNCDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103403
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccccc1)CC)C(=O)N	PC-id_8541767	357.47	HUVFVCSDQIAMKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103404
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(cccc1)C)C)C(=O)N	PC-id_8964573	357.47	BJLRNDIBOISZEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103405
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(cc1)C)C)C(=O)N	PC-id_9025330	357.47	VACPBUSTDCOGII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103406
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(OC)cc1	PC-id_44060360	357.47	GSYUYOYNHZNLMQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103407
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(OC)ccc1	PC-id_44060359	357.47	KULWJTNCUJXNIG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103408
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(OC)cccc1	PC-id_44060358	357.47	XOSGPKXHQNUYKN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103409
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1ccccc1	PC-id_44060307	357.47	PCWDTBXUSIAZOB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103410
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N(CC)CC	PC-id_16947491	357.47	HWAFUGVBZOXJEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103411
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCC(C)C	PC-id_16947520	357.47	CPRDCJOIWFHOQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103412
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NC(CC)C	PC-id_16947521	357.47	YBEYBEIGSWSNEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103413
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCC(C)C	PC-id_16947045	357.47	MCAZXWHCMVQTOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103414
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCCCC	PC-id_16947072	357.47	RNWLVONYZCCWMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103415
s1c2CCCc2nc1NC(=O)CN(S(=O)(=O)c1sccc1)C	PC-id_26723403	357.471	KDDCJZPZZBOPLK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-103416
c1(NC(=O)c2ccc(cc2)N2CCN(CC2)C)n(C)nc2CSCc12	EMOLS-id_316195520,PC-id_134702490,ZINC22_1529138449,MCULE-4127011292	357.473	BRBSWZIVABWUAT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103417
c
(=NC(=O)C2CCCN(C2)c2nc(C)cc(C)n2)/sc2c(CCC2)[nH]1	EMOLS-id_49394601,PC-id_71708873,STOCK7S-33121,MCULE-1252962756,EMOLS-id_44209750	357.473	HNISVKKPDCNWMS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103418
Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCC4)C2)n1	PC-id_96557587,ZINC22_79484352	357.473	HNISVKKPDCNWMS-CYBMUJFWSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103419
Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3nc4c(s3)CCC4)C2)n1	ZINC22_79484345,PC-id_96557586	357.473	HNISVKKPDCNWMS-ZDUSSCGKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103420
CC1=C([S]=C(N1)c1ccccc1)C(=O)Nc1c2CSCc2nn1C	EMOLS-id_320515135	357.473	ASZHSZHTFBVSBU-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-103421
Cc1nn(CC(C)C)c2sc(C(=O)Nc3c4c(nn3C)CCC4)cc12	MCULE-4980381511,PC-id_51127316,EMOLS-id_33363775,ZINC22_58414626	357.473	CBLHNTATYAUWOD-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-103422
n12nc(nc1sc(=Cc1sccc1C)c2=O)C=Cc1cccs1	MCULE-1007826305	357.473	XFERJWCMHVJUOY-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-103423
n1c2CCCc2sc1CCNC(=O)N1CCCC(c2ccncn2)C1	MCULE-2016585991,EMOLS-id_177408414	357.473	SNJHJMRHMBRSRK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103424
O=C(C1CCN(CC1)c1cnccn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180174	357.473	CLNCJBWSOAREMY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103425
O=C(N1CCC(CC1)c1ccncn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010917	357.473	LIMXYQTZYFCBHQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103426
O=C(N1CCN(CC1)c1ccccn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999937	357.473	JAATUWDKTYPNIM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-103427
O=C(NCCc1nc2c(s1)CCC2)N1CCC[C@@H](c2ccncn2)C1	ZINC22_584890752	357.473	SNJHJMRHMBRSRK-CYBMUJFWSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103428
O=C(NCCc1nc2c(s1)CCC2)N1CCC[C@H](c2ccncn2)C1	ZINC22_584890753	357.473	SNJHJMRHMBRSRK-ZDUSSCGKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103429
S(C1CCCC1)c1c(NC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_52201916	357.473	RMNFQKKNNMQCRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103430
CCC(N1Cc2c(S1(=O)=O)cc(s2)CC1CCCCC1)C(=O)O	PC-id_70995070,SCHEMBL13786873	357.488	UBTSTTNLZHHRGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103431
CCCC(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCC	PC-id_92109318	357.49	XUJHFVWMYNRHHO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-103432
s1c2CCCc2cc1C(=O)NCc1c(C[NH+]2CCOCC2)cccc1	PC-id_9481338	357.49	LWCYJALPCPZZHF-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103433
s1c2c(CCC2)cc1C(=O)NC(C[NH+]1CCOCC1)c1ccccc1	PC-id_84939416	357.49	RNFYMKZMNDJWMV-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103434
s1c2c(CCC2)cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1	PC-id_9149275	357.49	RNFYMKZMNDJWMV-QGZVFWFLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103435
s1c2c(CCC2)cc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1	PC-id_9149280	357.49	RNFYMKZMNDJWMV-KRWDZBQOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103436
s1c(C(=O)N2CC[NH+](CC2)Cc2ccc(OC)cc2)cc2CCCc12	PC-id_8200752	357.49	XGEWSLAJNBTPMF-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103437
s1c(C(=O)N2CC[NH+](CC2)CCOc2ccccc2)cc2CCCc12	PC-id_41023484	357.49	YJGCCCNPUYKKRG-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103438
CC1CN(CCS(=O)(=O)C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007335	357.491	BXYVMIYSZMFQSW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-103439
CN(CC(=O)NCCc1nc2c(s1)CCC2)C1CCS(=O)(=O)C1	PC-id_135103495	357.491	FCJHWAWDWHFXEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103440
O=C(N1CCC(S(=O)(=O)CC1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007320	357.491	NZIYRZLNAMPHLS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-103441
O=C(N1CC(C)S(=O)(=O)C(C1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010677	357.491	XVJKEGDWOJHKPY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103442
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCCCS1(=O)=O	EMOLS-id_102005793	357.491	MVNRKZHBDBSVPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103443
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCCS(=O)(=O)C1	EMOLS-id_102009078	357.491	GTMRGABVBYETAJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103444
c1(NC(=O)c2cnc(C3CCCCC3)s2)sc2c(CCC2)c1C#N	EMOLS-id_322838457,MCULE-9923583340	357.493	LWVKHQWIZPNKRQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103445
c1(NC(=O)c2csc(C3CCCCC3)n2)sc2c(CCC2)c1C#N	MCULE-7665361603,EMOLS-id_322838201	357.493	FDDFLZHTSLGGHM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103446
N#Cc1c(NC(=O)CN2CCCC2c2cccs2)sc2c1CCC2	EMOLS-id_3659215,MCULE-2539981956,PC-id_16290569	357.493	OWKKXNBSNPMPJV-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-103447
N#Cc1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCC2	CoCoCo_3600858,ZINC22_7990013,PC-id_9119542,CoCoCo_3600860	357.493	OWKKXNBSNPMPJV-AWEZNQCLSA-N	00000010100100000000100010000000000000000000000000000000	25-01-103448
N#Cc1c(NC(=O)CN2CCC[C@@H]2c2cccs2)sc2c1CCC2	CoCoCo_3600859,CoCoCo_3600857,PC-id_9119544,ZINC22_7990014	357.493	OWKKXNBSNPMPJV-CQSZACIVSA-N	00000010100100000000100010000000000000000000000000000000	25-01-103449
s1c2CCCc2nc1NC(=O)CN1CC[NH+](CC1)Cc1ccccc1	PC-id_51872653	357.493	GDHIDCXKODURCM-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103450
s1c2[n+](c(CC(=O)N3CCN(CC3)Cc3cc(ccc3)C)c1)CCN2	PC-id_52379045	357.493	DPRCCTYUHHABRH-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-103451
CN([C@@H]1Cc2c(C1)c(sc2C(=O)CCc1cc(C)c(c(c1)C)O)C)C	PC-id_143295730	357.51	GVBUXXAESNKTKE-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103452
O=C(c1ccc(cc1)C(C)(C)C)Nc1c2CSCc2nn1C(C)(C)C	PC-id_5175415,ChEMBL-DNDi_CHEMBLF0396-0151	357.513	QDCSGKOWMYVLJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103453
s1c2c(CCC2)c(c1NC(=O)CCN(C1CC1)C1CCCCC1)C#N	PC-id_56524537	357.513	TWOIRIOFFSOETR-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-103454
CC(C)(C)c1ccc(N2CCN(Cc3nc4c(s3)CCC4)CC2)nn1	EMOLS-id_320317102,MCULE-3444255666,ZINC22_1776008744,PC-id_139028721	357.516	ONAQMPOULRZWMR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103455
CC(C)(C)c1cc(N2CCN(Cc3nc4c(s3)CCC4)CC2)ncn1	EMOLS-id_323913716,MCULE-9759248676,ZINC22_1888843641	357.516	KGWBVOQKMPGJDE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103456
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCC1CCCCC1	PC-id_92109736	357.533	UGDXMTWOZBJKKZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103457
O=C1N(Cc2ccccc2)Cc2c1c(oc2[Si](C)(C)C)[Si](C)(C)C	PC-id_122203610	357.594	WZQYCMOHSVLTBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103458
CNC(c1c(F)ccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_106944531	358.244	QBFLFOYRBUWGCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103569
CC1CCc2c1c(CBr)nn2Cc1cccc(Cl)c1F	EMOLS-id_331033604,MCULE-8206398621	357.648	OSUBGIHNIZPRFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103459
CC1CCc2c1c(CBr)nn2Cc1cccc(F)c1Cl	MCULE-9709633213,EMOLS-id_331031556	357.648	TWHFKNASFWPKJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103460
CC1CCc2c1c(CBr)nn2Cc1ccc(Cl)cc1F	EMOLS-id_331034116,MCULE-4778770262	357.648	QBURJVGTKLDPNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103461
CC1CCc2c1c(CBr)nn2Cc1ccc(Cl)c(F)c1	EMOLS-id_331031557,MCULE-1361940447	357.648	WVPOANKIBAWKBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103462
CC1CCc2c1c(CBr)nn2Cc1ccc(F)cc1Cl	EMOLS-id_331031044,MCULE-9923769724	357.648	DWGRHSQTABNBQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103463
CC1CCc2c1c(CBr)nn2Cc1ccc(F)c(Cl)c1	MCULE-6567881346,EMOLS-id_331033348	357.648	GEVRAQIMODTDPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103464
CC1CCc2c1c(CBr)nn2Cc1cc(F)ccc1Cl	EMOLS-id_331031300,MCULE-5246862474	357.648	ILOPWZWNWQUTKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103465
CC1CCc2c1c(CBr)nn2Cc1cc(F)cc(Cl)c1	EMOLS-id_331033860,MCULE-6296573385	357.648	HLUNQAFIWWJUNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103466
CC1CCc2c1c(CBr)nn2Cc1c(F)cccc1Cl	EMOLS-id_331030788,MCULE-9850165439	357.648	NTJAARILOLDLRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103467
CC1CCc2c1c(CCl)nn2Cc1cc(Br)ccc1F	EMOLS-id_331025164,MCULE-8573627432	357.648	KWEUOZDETLAJRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103468
CC1CCc2c1c(CCl)nn2Cc1ccc(Br)cc1F	MCULE-5495488270,EMOLS-id_331023628	357.648	STTPKOMQIDQSRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103469
CC1CCc2c1c(CCl)nn2Cc1ccc(Br)c(F)c1	MCULE-8954965285,EMOLS-id_331023884	357.648	VNVSJSBQRSMYNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103470
CC1CCc2c1c(CCl)nn2Cc1cccc(Br)c1F	MCULE-8163416266,EMOLS-id_331025420	357.648	FXRYMGKIZIXIDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103471
CC1CCc2c1c(CCl)nn2Cc1cccc(F)c1Br	EMOLS-id_331023373,MCULE-7662060065	357.648	XSMFSXGUDJSGJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103472
CC1CCc2c1c(CCl)nn2Cc1ccc(F)c(Br)c1	MCULE-7825153787,EMOLS-id_331024908	357.648	HDYXJRHRDAXMAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103473
CC1CCc2c1c(CCl)nn2Cc1ccc(F)cc1Br	EMOLS-id_331022861,MCULE-8761372384	357.648	BROJFUOEWSNGDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103474
CC1CCc2c1c(CCl)nn2Cc1cc(F)cc(Br)c1	EMOLS-id_331025676,MCULE-4836930746	357.648	CYVKOEXCNXXWCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103475
CC1CCc2c1c(CCl)nn2Cc1c(F)cccc1Br	MCULE-7785430236,EMOLS-id_331023117	357.648	OCKOOVICMGEWAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103476
CC1CCc2c1c(Cl)nn2Cc1c(F)ccc(C)c1Br	EMOLS-id_330974197,MCULE-4877250917	357.648	KHNVEHSKMOZWDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103477
CC1CCc2nn(Cc3cc(Br)ccc3F)c(CCl)c12	MCULE-7471370720,EMOLS-id_331009206	357.648	SRJDVVNTKNHRQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103478
CC1CCc2nn(Cc3ccc(Br)cc3F)c(CCl)c12	EMOLS-id_331007670,MCULE-3243202748	357.648	FCWNNFLASKIDQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103479
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(CCl)c12	MCULE-1937160092,EMOLS-id_331007926	357.648	TZFPSYDGMZGNJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103480
CC1CCc2nn(Cc3cccc(Br)c3F)c(CCl)c12	MCULE-1601298663,EMOLS-id_331009462	357.648	RTIXMJQQXMKBNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103481
CC1CCc2nn(Cc3cccc(Cl)c3F)c(CBr)c12	EMOLS-id_331012542,MCULE-8691329238	357.648	GGGGKKMAHHSEDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103482
CC1CCc2nn(Cc3cccc(F)c3Br)c(CCl)c12	MCULE-9619158637,EMOLS-id_331007415	357.648	RMRDKHQCXIONOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103483
CC1CCc2nn(Cc3cccc(F)c3Cl)c(CBr)c12	EMOLS-id_331010494,MCULE-1624484962	357.648	IUZPRCSIRLHGCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103484
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(CBr)c12	MCULE-6064227724,EMOLS-id_331013054	357.648	PCNCGMLVQOHBDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103485
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(CBr)c12	EMOLS-id_331010495,MCULE-5908704099	357.648	XPYMYDWITIRTCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103486
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(CCl)c12	MCULE-7320907461,EMOLS-id_331008950	357.648	GKEUIPSPVZFEFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103487
CC1CCc2nn(Cc3ccc(F)cc3Br)c(CCl)c12	MCULE-1401068677,EMOLS-id_331006903	357.648	PLZNQPOOQGQADF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103488
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(CBr)c12	MCULE-9549068683,EMOLS-id_331014077	357.648	OKJPWCMHRHQYKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103489
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(CBr)c12	MCULE-3426937586,EMOLS-id_331012286	357.648	FBCWLUCASIQBHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103490
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(CCl)c12	MCULE-7938243112,EMOLS-id_331009718	357.648	SZHXQZQCYYHHDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103491
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(CBr)c12	MCULE-3779071241,EMOLS-id_331010238	357.648	ZTXRYAIQGKFJMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103492
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(CBr)c12	MCULE-3043788491,EMOLS-id_331012798	357.648	ICGNXVOSHPMAJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103493
CC1CCc2nn(Cc3c(F)cccc3Br)c(CCl)c12	MCULE-2918864196,EMOLS-id_331007159	357.648	UMHWOIZWEYDPOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103494
CC1CCc2nn(Cc3c(F)cccc3Cl)c(CBr)c12	EMOLS-id_331013821,MCULE-4380622228	357.648	CRSJCFOOORQDEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103495
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(Cl)c12	EMOLS-id_330959281,MCULE-5676753754	357.648	SBUQIOAETWXRNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103496
Brc1c(Cl)cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_80964849	357.653	KKNWWOVGIXPGRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103497
Brc1cnc(c(c1)NC(=O)c1sc2c(c1)CCC2)Cl	PC-id_113760335	357.653	DRLYYNOZDUHTCL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103498
Clc1cc(Br)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_114019961	357.653	JFBIWTKAFUXOHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103499
Clc1ccc(c(c1)Br)C(=O)Nc1sc2c(n1)CCC2	PC-id_103763529	357.653	KOOFORSCSTXWFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103500
O=C(Nc1nc2c(s1)CCC2)c1cc(Br)ccc1Cl	ZINC22_12888330,MCULE-2427946251,PC-id_25578880,CoCoCo_4164032,EMOLS-id_43971842	357.653	OYSTZVJCMRAFBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103505
Brc1ccc(/C(=C/C2Sc3n(N2)c(nn3)C)/Cl)cc1	PC-id_10618342	357.657	UTFGJUDLGWVZNP-POHAHGRESA-N	00000010100000110001000010000000000000000000000000000000	25-01-103506
Brc1ccc(C(=CC2Sc3n(N2)c(nn3)C)Cl)cc1	PC-id_85207467	357.657	UTFGJUDLGWVZNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103507
Brc1ccc(c(c1)Cl)CC(c1sc2c(c1)CCC2)O	PC-id_115833798	357.693	QPYJDKQDEACODB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103508
Brc1cc(C(Cl)c2sc3c(CCC3)c2)ccc1OC	PC-id_63427561	357.693	ALSNGZSMKXBKNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103509
Brc1cc(C(Cl)c2sc3c(CCC3)c2)c(OC)cc1	PC-id_63427566	357.693	NIGOGLCMONQJLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103510
Brc1c(C(Cl)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_55197964	357.693	DOKKIEHLSBAFNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103511
BrC(c1sc2c(CCC2)c1)c1cc(Cl)c(OC)cc1	PC-id_63439322	357.693	DSNWMASKFGXSMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103512
BrC(c1sc2c(CCC2)c1)c1c(Cl)cc(OC)cc1	PC-id_63443071	357.693	XIDWOENVAVTGPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103513
COc1ccc(cc1C(c1sc2c(c1)CCC2)Br)Cl	PC-id_113425562	357.693	MZARLWMIWPEMBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103514
Brc1cc(C(NC)c2sc3CCCc3n2)ccc1Cl	PC-id_83229888	357.696	HTLYBPGXVVEAMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103515
Brc1c(C(NC)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_81592880	357.696	VSISVEGYPBKVNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103516
Brc1c(C(NC)c2sc3CCCc3n2)cc(Cl)cc1	PC-id_66158243	357.696	GTAONKHDUGVPQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103517
CNC(c1cc(Br)ccc1Cl)c1sc2c(n1)CCC2	PC-id_108397924	357.696	CFRYRVSXZXMNBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103518
CNC(c1ccc(c(c1)Cl)Br)c1sc2c(n1)CCC2	PC-id_108397925	357.696	FHEOHVGPOOXAMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103519
CNC(c1ccc(cc1Cl)Br)c1sc2c(n1)CCC2	PC-id_116486819	357.696	BLXPIAVAGBTWJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103520
Clc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1OC(F)F	PC-id_60449221	357.743	PKQZOVQOWJOYLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103521
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cccc(Cl)c2C)n1	TIMTEC210644,ZINC22_711815,BAS-01939629,CoCoCo_224959,CHEMBL1515460,MCULE-6951224762,EMOLS-id_1359659,PC-id_1040244	357.758	ICZDKWXEIJFTRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103522
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCc2ccc(cc2)Cl)n1	EMOLS-id_1359715,CHEMBL1430011,PC-id_1129752,TIMTEC453991,CoCoCo_224986,ZINC22_869825,BAS-01939661,SCHEMBL1005976,MCULE-3253406292	357.758	SOCYANDJFUTRBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103523
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2Cl)C(F)(F)F)n1	MCULE-2108157286,EMOLS-id_331036938	357.758	OCWQYMKIJMIXMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103524
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)C(F)(F)F)n1	EMOLS-id_331035403,MCULE-4501501028	357.758	YXNSKDWGVSFLDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103525
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1Cl)C(F)(F)F	EMOLS-id_331018932,MCULE-5130232034	357.758	SDPUNFLZVSZVIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103526
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)C(F)(F)F	EMOLS-id_331021492,MCULE-1046005884	357.758	FXTCWVOQEJOJLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103527
Cc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_145904886,ZINC22_1530467640,MCULE-2440617815,EMOLS-id_324064082	357.758	CBQZXNWTRQTZCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103528
c12CN(Cc1cnn2CCO)C(=O)c1ccc(c2ccccc2Cl)o1	ZINC22_91390977,EMOLS-id_44705379,MCULE-2301470453,PC-id_70717816	357.791	VFTUPPZOTUOKKB-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-103529
c1(C(=O)NCc2nnc3CCCn23)cn(nn1)Cc1ccc(cc1)Cl	ZINC22_19790996,CoCoCo_1472390,MCULE-5703006272,EMOLS-id_20635915,PC-id_28357532	357.798	DKDKALBVTQRKOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103530
Clc1c(n2nccc2)ccc(NC(=O)NCc2n3CCCc3nn2)c1	PC-id_60228881	357.798	RPWDEAWQBBDVCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103531
COc1cc(Cl)c(cc1OC)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316460296,MCULE-4236300742	357.813	WSTLZLUQPWPAPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103532
Clc1c(OCC(=O)Nc2sc3CCCc3c2C#N)ccc(c1)C#N	PC-id_8976306	357.814	DYAJLVLAQNHAHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103533
CN(C)/C=c
/sc2c(C#N)cc(C(=O)c3ccc(Cl)cc3)n2c1=O	ZINC22_3257513	357.814	OBSSQYNNUKCCFH-NTEUORMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103534
N#Cc1cc(n2c1sc(=CN(C)C)c2=O)C(=O)c1ccc(cc1)Cl	EMOLS-id_26156745,MCULE-9857494746	357.814	OBSSQYNNUKCCFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103535
CC(Oc1cc(/N=c/2onc3n2CC(S3)(C)C)c(cc1Cl)F)C	PC-id_18631252,SCHEMBL10548023	357.831	ITBBWXGMLGHKHU-AQTBWJFISA-N	00000010100000110001000010000000000000000000000000000000	25-01-103536
ClC1c2n(N=C1C)c(nn2)CCCc1ccc(NC(=O)C(=C)C)cc1	PC-id_14093298	357.837	UFFISGVZPVMSQD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-103537
Clc1cc2c(s1)CC[C@@H]2NCc1ccc(Oc2cnccn2)cc1	ZINC22_574964605	357.857	MQVFISAZDYCQIA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103538
Clc1cc2c(s1)CC[C@H]2NCc1ccc(Oc2cnccn2)cc1	ZINC22_574964606	357.857	MQVFISAZDYCQIA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103539
O=C(c1sc2c(c1)CCC2)Nc1nccn1Cc1ccccc1Cl	PC-id_86958125	357.857	JELRIYGTWQVMKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103540
c1(CN(C2CCCC2)C(=O)c2cccc(Cl)c2)c2CCCc2n(C)n1	EMOLS-id_50145310,MCULE-7954317610,PC-id_86266571	357.877	PCKVAABGQFCXGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103541
Clc1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109773	357.877	KFONKPSWTOVBMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103542
Clc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109774	357.877	PQHAYCKORQMRMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103543
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)C(C)C	SCHEMBL17397892,PC-id_118628186	357.879	OWBFVEMDKHXXCW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103544
Cc1nn(c2ccccc2)c(C)c1CN[C@H]1CCc2sc(Cl)cc12	ZINC22_520462391	357.9	NOHNYFLGJVMVOQ-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103545
Cc1nn(c2ccccc2)c(C)c1CN[C@@H]1CCc2sc(Cl)cc12	ZINC22_520462392	357.9	NOHNYFLGJVMVOQ-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103546
Clc1cc2c(s1)CCC2NCc1c(C)nn(c1C)c1ccccc1	EMOLS-id_316843743,MCULE-8803876380	357.9	NOHNYFLGJVMVOQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103547
C=S(c1c2CCCn2c(c1Cl)C(=O)Nc1cc(c(cc1)F)F)O	PC-id_163886348	358.035	PXQRCYBGUSYUQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103548
c12CN(Cc1sc(I)c2CBr)C	EMOLS-id_331065386,MCULE-6733802686	358.037	ROLDAFYRWONELE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103549
CC1=NN(C2=C1CC(=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3	PC-id_162287804	358.06	NBAZPEZJEYQCJG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-103550
CCCC1=CC(=O)N(C1)CC2=C(N=C3N2NC(S3)COC)C(F)F	PC-id_153361497	358.128	VUFFIPKIEIIKNH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-103551
O=C(c1cn[nH]c1I)NC1CC(n2c1ncn2)C	EMOLS-id_316510928	358.138	OAESOSNGARADKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103552
CC1=C(NC(=O)N1)C(=O)N2CCC(C2)N(C)C(=O)C3=NNC4=C3CCC4	PC-id_154794063	358.175	KGYSNNVSCQJDLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103553
Ic1oc(CNC(c2n3CCCc3nn2)C)cc1	PC-id_43791497	358.178	RLIUGNWIOIZYAJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-103554
Fc1cccc(c1)S(=O)(=O)n1cc2c(c1Br)CCC2=O	SCHEMBL16547956,PC-id_117935983	358.183	DGEHTDNICWPRNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103555
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccc(cc1)C#C	PC-id_20253955,SCHEMBL10817308	358.186	XYOMDFYXFATCCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103556
O=C(c1cc(c2ccc(Br)cc2)[nH]n1)N1CCn2nccc12	ZINC22_557179053	358.193	PJQIGDXZTGIOHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103557
Brc1cc(F)c(NC(=O)c2sc3CCCc3c2)c(F)c1	PC-id_65501234	358.201	YHAYEKFYHXJORU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103558
O=C(c1sc2c(c1)CCC2)Nc1cc(F)c(cc1F)Br	PC-id_103842514	358.201	OBJXTRSFUQHSNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103559
COc1cc(Br)cc(c1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316708339	358.211	VZJLHGMSQMOILT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103560
COc1ccc(cc1Br)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316743173	358.211	YAYLWIMSAHDIMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103561
COc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)Br	EMOLS-id_316468232,MCULE-4106161368	358.211	APNLWURVYFELRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103562
CC(C)(C)CN(CC(=O)O)C(=O)c1nn2c(c1Br)CCC2	ZINC22_902077726	358.231	NYFCVQTXFBBSJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103563
c1(NC(=O)c2c(Cl)ccc(Cl)c2OC)n(C)nc2CSCc12	EMOLS-id_334564287,MCULE-4373788915	358.243	MUVGDSJWQNXTIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103564
c1(NC(=O)COc2ccc(cc2Cl)Cl)n(C)nc2CSCc12	EMOLS-id_188948229,MCULE-9562967081,STOCK7S-69713,ZINC22_604419200	358.243	JEMXULVPVVOMLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103565
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)n(C)nc2CSCc12	MCULE-9397092537,EMOLS-id_334563260	358.243	LAINJNJCXMZCAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103566
O=C(c1sc2c(c1)CCC2)NNC(=O)c1cc(c(n1C)Cl)Cl	GD-id_ZINC32671383	358.243	XIBHYUFYDYGSTG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-103567
Fc1ccc(c(c1CNCc1sc2c(c1)CCC2)F)Br	PC-id_106263284	358.244	HAIBVLBSFIPTGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103570
NC(c1sc2c(c1)CCC2)Cc1c(F)ccc(c1F)Br	PC-id_106274293	358.244	VLUIUNZFUKBKSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103571
CCC1(CCC1)C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_316552812	358.251	WGGMGMAEWXIFBT-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-103572
CC(C1CCCCC1)n1nc2CCC(C)c2c1I	MCULE-9626282512,EMOLS-id_330961853	358.261	SDEHHWUHFTUXTF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103573
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCC2)c1C#N	ZINC22_2846189,PC-id_2200719,MCULE-5645139371,CoCoCo_977568,EMOLS-id_1765318	358.286	WCSHJWWEIGGOOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103574
c12ccsc1C(=NOC(=O)c1ccco1)CC2NC(=O)C(F)(F)F	MCULE-7207411381,PC-id_3740797,EMOLS-id_27483539	358.292	DJDADXMOWFEWMK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103575
O=C(O/N=C
/C[C@@H](NC(=O)C(F)(F)F)c2ccsc12)c1ccco1	PC-id_5524275,ZINC22_33927135	358.292	DJDADXMOWFEWMK-ARXZDUBCSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103576
O=C(O/N=C
/C[C@H](NC(=O)C(F)(F)F)c2ccsc12)c1ccco1	PC-id_5524276,ZINC22_33927136	358.292	DJDADXMOWFEWMK-NFAMBCEPSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103577
O=C(O/N=C/1C[C@@H](NC(=O)C(F)(F)F)c2ccsc12)c1ccco1	ZINC22_1390616	358.292	DJDADXMOWFEWMK-LDNSXRENSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103578
O=C(O/N=C/1C[C@H](NC(=O)C(F)(F)F)c2ccsc12)c1ccco1	ZINC22_1390618	358.292	DJDADXMOWFEWMK-FICACFMZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103579
O=C(ON=C1C[C@@H](NC(=O)C(F)(F)F)c2ccsc12)c1ccco1	ZINC22_252427730	358.292	DJDADXMOWFEWMK-MRVPVSSYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103580
O=C(ON=C1C[C@H](NC(=O)C(F)(F)F)c2ccsc12)c1ccco1	ZINC22_252427731	358.292	DJDADXMOWFEWMK-QMMMGPOBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103581
BrCC1CN(CC(O1)(C)C)C(=O)c1sc2c(c1)CCC2	PC-id_114781426	358.294	OUXMEGPAOUKIOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103582
BrCCOC1CCN(CC1)C(=O)c1sc2c(CCC2)c1	PC-id_82701247	358.294	IELKGBOMTJPYRC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-103583
CCCCC(CN1C(=O)c2c(C1=O)c(sc2C)Br)CC	PC-id_145677234	358.294	PLMBCQGYPZZKLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-103584
N#Cc1nc2n(c1Br)C[C@H](O2)CO[Si](C(C)(C)C)(C)C	PC-id_140261652	358.306	IPFHRQHYZQPOIX-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-103585
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCn1nc(oc1=O)c1ccncc1)C	PC-id_23081361,SCHEMBL5541375	358.309	AWSHOOBVYMAATF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-103586
NC(=O)c1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc2c1CCC2	ZINC22_14120211,MCULE-3559782392,PC-id_17447242,EMOLS-id_13492472,CoCoCo_3218589	358.311	NIVBSAXPVDLJGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103587
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)Cn1nnc(c1)c1ccc(c(c1)C)F	SCHEMBL19518587	358.327	JGFKZDYFUOIHBG-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103588
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)Cn1nnc(c1)c1ccc(c(c1)C)F	SCHEMBL19518605	358.327	JGFKZDYFUOIHBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103589
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C#N	BAS-02052819,ZINC22_3668506,MCULE-6160193492,ChEMBL-DNDi_CHEMBL8009-2520,PC-id_3136976,TIMTEC539492,CoCoCo_228722,EMOLS-id_1363173	358.329	WZRGZHQQQRGWSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103590
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2990064521,EMOLS-id_334337188	358.336	HQWPWLCSDSVCGX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103591
c1(C(F)(F)F)n(C)nc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	MCULE-9533792021,PC-id_4769027,EMOLS-id_4035931,CoCoCo_6578811,ZINC22_2776923	358.339	ZZPWASJOZSBAPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103592
c1(NC(=O)Nc2ccccc2OC(F)(F)F)n(C)nc2CSCc12	MCULE-6121382745,ZINC22_524734457,EMOLS-id_104690435,STOCK7S-61959	358.339	GXLIRGMUSSRXSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103593
c1(NC(=O)Nc2cccc(c2)OC(F)(F)F)n(C)nc2CSCc12	STOCK7S-59472,MCULE-9496723031,EMOLS-id_104685666,ZINC22_524733632	358.339	ZOYYOIROLRPGHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103594
Cc1c(CNC(=O)c2cnn3c2CC(F)(F)C3)noc1c1ccccc1	ZINC22_2325813202	358.342	XJWOHXUTBXTPKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103595
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)OCCCO[N+](=O)[O-]	PC-id_10247800,SCHEMBL5605878	358.345	FCVFMTUVUDZCPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103596
COC(=O)CNC(=O)C1CCc2nnc(n12)CNC(=O)c1cnccc1	PC-id_134787739	358.352	KCBIPHHVIDNPSU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-103597
CCN/C(=C(/C)C(F)(F)F)/N=C(/Nc1c2CC(Cn2nc1)(C)O)N=C	SCHEMBL19892652,PC-id_134278050	358.362	VIJCZYOAACYKCJ-FMIVXFBMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103598
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)c1ccc(c(F)c1)OC	EMOLS-id_207862863,MCULE-7803587228	358.367	WNMVRMFLELEFJI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-103599
CN1CCN(CC1)C(=O)c1nc2CN(Cc2o1)C(=O)c1cccc(F)c1	ZINC22_96088074,PC-id_97407316,EMOLS-id_46185411	358.367	DJMQXYZMEXOHMM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103600
Fc1cccc(c1)CNC(=O)N1Cc2c(C1)nc(o2)CN1CCCC1=O	PC-id_97406075	358.367	JFYTZINPOYTDJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103601
OC1CC(N(C1)C(=O)Cc1ccccc1F)C(=O)N1CCn2c1ccn2	EMOLS-id_319597917	358.367	DVOWKXMICLRNPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103602
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)O	MCULE-8856183007	358.368	VEURQULQYXYVJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103603
N#Cc1c(NC(=O)COC(=O)c2ccc(O)cc2O)sc2c1CCC2	EMOLS-id_18852165,ZINC22_23074818,CoCoCo_3135568,PC-id_18077411,MCULE-3146723967,CHEMBL1324183,ChEMBL-DNDi_CHEMBL1324183	358.368	BBIVNQCJOFZRKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103604
OC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	PC-id_28860328,EMOLS-id_179129569	358.368	VEURQULQYXYVJA-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103605
c1(c(C)cc(=O)n(CC(=O)Nc2sc3c(CCC3)c2C#N)c1)N(=O)=O	PC-id_84409627,EMOLS-id_181320553,MCULE-7427364875	358.372	ZIJNQAKZYCMDBU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103606
c1(ccc(n(CC(=O)Nc2sc3c(CCC3)c2C#N)c1=O)C)N(=O)=O	MCULE-8796799338,EMOLS-id_181332894,PC-id_84413121	358.372	UIESLTANUBMSIY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103607
c1(ccc(=O)n(CC(=O)Nc2sc3c(CCC3)c2C#N)c1C)N(=O)=O	EMOLS-id_180191092,PC-id_84316539,MCULE-6607783072	358.372	ZLZNYCVDMFRNCP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103608
c1(NC(=O)Cn2cc(cc(C)c2=O)N(=O)=O)sc2c(CCC2)c1C#N	PC-id_84573145,MCULE-2885382557,EMOLS-id_181500319	358.372	PTHNHASCMZSLBU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103609
O=C(C(n1nc(ccc1=O)c1ccco1)C)Nc1onc2c1CSC2	PC-id_121076195	358.372	MYBRFOZHLSZJQU-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-103610
CC(C(=O)Nc1c2CSCc2no1)n1c(=O)ccc(n1)n1cccn1	PC-id_90517605	358.375	GFIIRDXNTBYUCH-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103611
Fc1cc(ccc1F)S(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_3968129,CoCoCo_3541084	358.383	ZCTCKCHOIMNLBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103612
Fc1ccc(c(c1)F)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-3594469637,PC-id_8473928,EMOLS-id_13572822,CoCoCo_3532681	358.383	VHQIPYZIYGGTGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103613
Fc1ccc(c(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)F	EMOLS-id_16731146,MCULE-7647455505,PC-id_17518946,CoCoCo_3840043	358.383	HJEPAXFHFJRWSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103614
Fc1cc(F)cc(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3532684,PC-id_25553607,EMOLS-id_18881507,MCULE-9933524599	358.383	IRYRYTZUPRRLNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103615
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1ccc(c(c1)F)F	PC-id_8473965,CoCoCo_3532688,EMOLS-id_16809289,MCULE-1347230226	358.383	MXAZMZYGNOHQJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103616
O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)C(F)F)cc1	EMOLS-id_43971894,CoCoCo_4164231,ZINC22_12862115,MCULE-8166125315,PC-id_25560033	358.383	ORJZZVWNTSFBFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103617
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(F)cccc1F	PC-id_8474142	358.383	LNRQUDAWGYSPDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103618
N#Cc1c(NC(=O)CC(c2ccc(cc2)F)C(=O)O)sc2c1CCC2	MCULE-2874657546,PC-id_42938087,EMOLS-id_44051535	358.387	XRLJECRQQVTVES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103619
N#Cc1c(NC(=O)C[C@@H](C(=O)O)c2ccc(F)cc2)sc2c1CCC2	PC-id_32504264,CoCoCo_4612658,ZINC22_25208042	358.387	XRLJECRQQVTVES-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103620
N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)sc2c1CCC2	ZINC22_25208037,CoCoCo_4612657,PC-id_32504259	358.387	XRLJECRQQVTVES-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103621
s1c2CCCc2cc1C(=O)OC(c1oc(nn1)c1ccc(F)cc1)C	PC-id_78635592	358.387	POUXXLPAADBVAF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103622
s1c2CCCc2cc1C(=O)O[C@H](c1oc(nn1)c1ccc(F)cc1)C	PC-id_8218842	358.387	POUXXLPAADBVAF-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-103623
s1c2CCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1ccc(F)cc1)C	PC-id_8218843	358.387	POUXXLPAADBVAF-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103624
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(F)c(cc1)C)C#N	PC-id_9386655	358.387	COSRFKFLCZZAIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103625
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1ccc(F)cc1)C#N	PC-id_8612990	358.387	LIAPVGIIPOAXID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103626
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1c(F)cccc1)C#N	PC-id_8661255	358.387	ABPAEGFHOUZXRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103627
s1c2CCCc2nc1NC(=O)c1oc(COc2ccc(F)cc2)cc1	PC-id_33039754	358.387	UAIMXGJGKHJULI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-103628
C1C(C(=O)NC(CO)(CO)CO)c2ccc(C(=O)c3ccccc3)n2C1	SCHEMBL16774028,PC-id_71587564,EMOLS-id_43551013,MCULE-8254925559	358.388	QYIXDZZHVVTARJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103629
CCOC(=O)C1(CCn2c1ccc2C(=O)c1cccn1C)C(=O)OCC	PC-id_67906309,SCHEMBL9687929	358.388	XVYFOKZANFACRO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-103630
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1C(=O)O	EMOLS-id_330970806,MCULE-2778855218	358.388	PGMSNPVIWXEUJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103631
NC(CO)(CO)COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL6328737,PC-id_46783787,EMOLS-id_193085720	358.388	KRXNUUNUUBIOCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103632
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NC(CO)(CO)CO	PC-id_76970966,ZINC22_67665132	358.388	QYIXDZZHVVTARJ-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103633
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NC(CO)(CO)CO	ZINC22_67665134,PC-id_76970965	358.388	QYIXDZZHVVTARJ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103634
s1c2c(CCC2)c(c1NC(=O)c1c(cccc1)C(=O)[O-])C(=O)OCC	PC-id_3641916	358.388	BLKLNQZZOHEZPJ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-103635
Cc1nc(CN(C(=O)c2cc3n(n2)CCO3)c2ccc(F)cc2)cs1	ZINC22_365845875,EMOLS-id_316153361,MCULE-3028290846	358.39	ANEKZAIOLWZNSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103636
s1c2CCCc2nc1NC(=O)CCc1onc(n1)c1ccc(F)cc1	PC-id_26723474	358.39	JTMWJVMTNBDISW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103637
c12CN(Cc1cnn2CCO)C(=O)Nc1c(OCC)ccc(C(=O)C)c1	ZINC22_95525091,MCULE-9648815932,EMOLS-id_48644570,PC-id_72919892	358.392	XWWVFIMGFAGBRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103638
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1cc(oc1C)C	EMOLS-id_207863308,MCULE-4031929874	358.392	HSLKHMZQZVGOCN-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103639
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2cccc(OC)c2)n1	MCULE-7511793887	358.392	PUBRDTNMCMGSIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103640
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cccc(OC)c2)n1	MCULE-2858305304,EMOLS-id_316336434	358.392	PUBRDTNMCMGSIQ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103641
c1(C(=O)NCCOC)cnn2CC(Cc12)NC(=O)c1cccc(OC)c1	MCULE-9275019869	358.392	WMCCDRKVKOBFOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103642
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1cccc(OC)c1	EMOLS-id_317446015,MCULE-9620061179	358.392	WMCCDRKVKOBFOY-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103643
C[C@]1(COc2ccc(N3CCCCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	CHEMBL219642,PC-id_6483573	358.392	JCZNXGBEHBGSOI-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103644
CC(C)(C)OC(=O)N1Cc2c(C1)[nH]nc2NC(=O)OCc1ccccc1	PC-id_86635438	358.392	VEYPXVFSMGVWJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103645
CC(C)(C)OC(=O)N1CCn2nc(NC(=O)OCc3ccccc3)cc12	SCHEMBL171623,MCULE-2716944485,PC-id_58440696,EMOLS-id_324477859	358.392	MUQVGKKYLGXSBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103646
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)OCc1ccccc1	SCHEMBL17724450,PC-id_121314704	358.392	UPCVSYHLNSQXBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103647
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OCc1ccccc1)N	SCHEMBL19305377	358.392	XMALOVHAOYFGRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103648
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCCCC2)cc1)C	PC-id_78413379	358.392	JCZNXGBEHBGSOI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103649
O(C(C)(C)C)C(=O)N1Cc2c([nH]nc2NC(=O)c2ccc(OC)cc2)C1	PC-id_71476650	358.392	NNLTUQYZISWISV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103650
O=CN(c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)OC	PC-id_141257338	358.392	UVUQLNSMJGSZAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103651
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CN1CCOC1=O	PC-id_92109550	358.392	WPFLQFMFSQEBSU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-103652
Cc1ccc(cc1)NC(=O)c1c(c(c2n1CCC2)C#N)N=Cc1ccco1	PC-id_137639813,BindingDB_PC-id_137639813	358.393	OANOKOHKVWNYFI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-103653
O=C(Nc1ncc(s1)c1ccccc1F)NCc1nnc2n1CCC2	EMOLS-id_319791431	358.393	ZOQVMNWSGDAVMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103654
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2cc([nH]n2)C2CC2)n1	MCULE-9153967104	358.395	HPWZIKUMSOZMTN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-103655
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cc([nH]n2)C2CC2)n1	MCULE-4604418348,EMOLS-id_316336944	358.395	HPWZIKUMSOZMTN-NSHDSACASA-N	00100010100000000001100010000000000000000000000000000000	25-01-103656
CCn1c(O)nc(N2CC[C@H](NC(=O)c3cnc4n3CCC4)C2)cc1=O	ZINC22_2325849097	358.395	GQAXPIFFWODKRM-NSHDSACASA-N	00000010100000100001100010000000000000000000000000000000	25-01-103657
CCn1c(O)nc(N2CC[C@@H](NC(=O)c3cnn4c3CCC4)C2)cc1=O	ZINC22_2325849545	358.395	SOISPQLFOIKTJE-LLVKDONJSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103658
CCn1c(O)nc(N2CC[C@H](NC(=O)c3cnn4c3CCC4)C2)cc1=O	ZINC22_2325849546	358.395	SOISPQLFOIKTJE-NSHDSACASA-N	00000010100000100001100010000000000000000000000000000000	25-01-103659
Cn1ccnc(NC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)c1=O	ZINC22_328645132	358.395	RZJFTBNDSDYZFI-LLVKDONJSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103660
Cn1ccnc(NC[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)c1=O	ZINC22_328645133	358.395	RZJFTBNDSDYZFI-NSHDSACASA-N	00000010100010100001000010000000000000000000000000000000	25-01-103661
O=C(c1n[nH]c2c1CCC2)N1CCOC(C1)CNc1nccn(c1=O)C	EMOLS-id_316076470,MCULE-9710299211	358.395	RZJFTBNDSDYZFI-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-103662
O=C(Nc1noc(c1)C)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98171966	358.395	DJGAMDNGNJTBDO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103663
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)NCC)CC(F)(F)F	EMOLS-id_324357728,MCULE-7274763331	358.402	UPOSNEMNLZDPOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103664
CN(CC1CCCCN1C(=O)Cn1nc(c2c1CCC2)C(F)(F)F)C	PC-id_46971311,SYN-20042588	358.402	OEIBYKTXNDDOBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103665
CN(C)C[C@@H]1CCCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_51598370,ZINC22_19581938,CoCoCo_496298	358.402	OEIBYKTXNDDOBI-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103666
CN(C)C[C@H]1CCCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_19581941,PC-id_51598373,CoCoCo_496299	358.402	OEIBYKTXNDDOBI-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103667
CN=C(NCc1nnc2n1CCC2)NCC1CCC(CC1)C(F)(F)F	PC-id_119140553	358.405	XMZJBYMGXOTEFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103668
CN=C(NCc1nnc2n1CCC2)NCC1CCCC(C1)C(F)(F)F	PC-id_120049595	358.405	UDHLRVXRLFCOOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103669
Cc1nnc2n1CC[C@@]2(C)C(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1	ZINC22_1875319251	358.41	VAYWJQRKSORPQZ-BFUOFWGJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103670
Cc1nnc2n1CC[C@]2(C)C(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1	ZINC22_1875319252	358.41	VAYWJQRKSORPQZ-DJJJIMSYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103671
Cc1nnc2n1CC[C@@]2(C)C(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1	ZINC22_1875319253	358.41	VAYWJQRKSORPQZ-ORAYPTAESA-N	00000010100010110001100010000000000000000000000000000000	25-01-103672
Cc1nnc2n1CC[C@]2(C)C(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1	ZINC22_1875319254	358.41	VAYWJQRKSORPQZ-YJYMSZOUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103673
CCCCC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_71026970,SCHEMBL13914858	358.41	WSBXEPYOTHCTAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103674
C(=O)(c1ccc(cc1)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C	SCHEMBL3456901,PC-id_9885139,BindingDB_PC-id_9885139,CHEMBL597390	358.41	CHSPOGGCOKIJJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103675
Fc1ccccc1OC1CCN(CC1)C(=O)NCc1n[nH]c2CCCc12	PC-id_121502920,ZINC22_426504636,MCULE-6257974152,EMOLS-id_177426065	358.41	RMBDBMZIVNXDFB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103676
Fc1cccc(CNC(=O)N2Cc3nc(CN4CCCCC4)oc3C2)c1	EMOLS-id_44372100,PC-id_97520345,ZINC22_96260270	358.41	VJIASJXSWRKHSA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103677
Fc1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)C(C)(C)C)(C)C)cccc1	SCHEMBL5110745,PC-id_69315156	358.41	AMAYKJXCXOUGTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103678
O=C(c1ccc(F)cc1)C1CCN(CCn2nc3n(c2=O)CCC3)CC1	CHEMBL57794,PC-id_15105357	358.41	XKIBIINSZWIEJZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103679
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccccc1	ZINC22_722394,TIMTEC28582,EMOLS-id_1338221,PC-id_1047349,CoCoCo_201149,BAS-01426043,TIMTEC500592,MCULE-6169494182	358.412	VIBFJMDVYMZQMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103680
c1(NC(=O)c2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C(=O)NC	ZINC22_5055712,PC-id_7475012,EMOLS-id_16349137,CoCoCo_2590275,MCULE-4996707427	358.412	FIBDUPVIWNBFET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103681
c1(NC(=O)c2cccc(c2)OC(=O)C)sc2c(CCC2)c1C(=O)NC	MCULE-3460879729,EMOLS-id_334329810	358.412	UVAURXZCRSIHRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103682
c1(NC(=O)c2ccc(cc2)OC(=O)C)sc2c(CCC2)c1C(=O)NC	MCULE-5377223157,EMOLS-id_334330078	358.412	QWTHOEHEQRPBLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103683
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C#N	PC-id_1074684,ZINC22_782900,MCULE-4414761823,EMOLS-id_1452970,ChEMBL-DNDi_CHEMBLF0098-0143,SPECS-id_AN-153/I181373,SPECS-id_AE-848/09348016,CoCoCo_322424,BAS-04435879	358.412	VVXFQNLPYQQTAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103684
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(=O)C)sc2c(CCC2)n1	MCULE-1510497234	358.412	XAMRWLOWZFEFJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103685
c1(NC(=O)C(=O)NCc2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_2988530,EMOLS-id_2528865,STOCK6S-06402,ZINC22_4855646,CoCoCo_584354,MCULE-9784877454	358.412	XHNUXUWVMBKBBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103686
c1(NC(=O)C(=O)NCCc2ccccc2)sc2c(CCC2)c1C(=O)O	ZINC22_6754628,EMOLS-id_4741693,STOCK6S-11397,MCULE-6087483812,PC-id_8069363	358.412	SZHZKRBNMNHHIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103687
Cc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-5353435458,PC-id_2604565,CoCoCo_2920066,EMOLS-id_3488739,ZINC22_3487168	358.412	SZFGGPXGSDJODI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103688
Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_2959371,ZINC22_3442809,PC-id_2562873,EMOLS-id_11779808,MCULE-3999901165	358.412	FFTRQFPQSBKDDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103689
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_2400578,ZINC22_3285046,MCULE-9129258804,EMOLS-id_3159275,CoCoCo_2910191	358.412	ABTJAJYDMKDSOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103690
CC(C(=O)Nc1ccc(cc1)C(=O)N)OC(=O)c1sc2c(c1)CCC2	MCULE-4308698734,EMOLS-id_18817009,PC-id_42883798	358.412	KAQFCLDWSTXONQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103691
CC(C(=O)O)NC(=O)c1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_121947172,EMOLS-id_72603313,MCULE-7260575973	358.412	IULSPQPHJJUOCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103692
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(C(=O)N)cc1	PC-id_7623751,ZINC22_5308469,CoCoCo_2840882	358.412	KAQFCLDWSTXONQ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103693
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(C(=O)N)cc1	ZINC22_5308468,PC-id_7623750,CoCoCo_2840881	358.412	KAQFCLDWSTXONQ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-103694
CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_4581596,PC-id_4682129,MCULE-2336557446,CoCoCo_2840985,EMOLS-id_43696786	358.412	DQXOOLWVANPLCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103695
COc1cc(/C=C/C(=O)Nc2nc3CCCc3s2)ccc1OC(=O)C	EMOLS-id_334661845	358.412	XAMRWLOWZFEFJP-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103696
COc1cc(NC(=O)c2cc3c(s2)CCC3)ccc1N1CCOC1=O	PC-id_48366291,EMOLS-id_44551906,MCULE-2129828397,ZINC22_64321724	358.412	KFBZKHAUXAOGGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103697
NC(=O)c1c(NC(=O)C[C@H](C(=O)O)c2ccccc2)sc2c1CCC2	PC-id_92444544,ZINC22_13254971	358.412	CGCNJQPAHJQHMX-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103698
NC(=O)c1c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)sc2c1CCC2	ZINC22_13254969,PC-id_92444543	358.412	CGCNJQPAHJQHMX-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103699
O=C(Nc1sc2c(c1C(=O)N)CCC2)CC(c1ccccc1)C(=O)O	PC-id_45313130,EMOLS-id_45738827,MCULE-6578561951	358.412	CGCNJQPAHJQHMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103700
OC(=O)CCNC(=O)c1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	MCULE-7279597639,EMOLS-id_51428866,PC-id_121849512	358.412	RUNDGKVZDXUERE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103701
OC(=O)CNC(=O)Cc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_119224308,MCULE-9090425855,EMOLS-id_51461468	358.412	WMNSHIUVMFPXIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103702
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)NCC(=O)OC	PC-id_51213094	358.412	ZBVQFHLOCPFHHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103703
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)O)cc1)C	PC-id_85015395	358.412	DXJYYSWUUAATKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103704
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)O)cc1)/C	PC-id_9462250	358.412	DXJYYSWUUAATKD-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103705
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OC(=O)C)cc1	PC-id_85015409	358.412	IIISVEYYJMDVNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103706
s1c2CCCc2cc1C(=O)NN=C(c1cc(OCC(=O)O)ccc1)C	PC-id_85015424	358.412	SMFFTVZOLLRMBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103707
s1c2CCCc2cc1C(=O)N/N=C(c1cc(OCC(=O)O)ccc1)/C	PC-id_9462314	358.412	SMFFTVZOLLRMBV-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103708
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)NC(=O)NC	PC-id_45637975	358.412	NLHMDXXDFBAARY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103709
s1c2CCCc2cc1C(=O)OC(C)C(=O)NNC(=O)c1ccccc1	PC-id_84880334	358.412	KXAPDTKVXJMMLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103710
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(NC(=O)C)ccc1	PC-id_7623580	358.412	XPZDNQRJUBKZSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103711
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NCc1ccccc1	PC-id_16505605	358.412	GFPBEQCHPLQFLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103712
s1c2CCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)NC(=O)NC	PC-id_7291980	358.412	NLHMDXXDFBAARY-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103713
s1c2CCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)NC(=O)NC	PC-id_7291981	358.412	NLHMDXXDFBAARY-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103714
s1c2CCCc2cc1C(=O)O[C@@H](C)C(=O)NNC(=O)c1ccccc1	PC-id_8948180	358.412	KXAPDTKVXJMMLT-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-103715
s1c2CCCc2cc1C(=O)O[C@H](C)C(=O)NNC(=O)c1ccccc1	PC-id_8948183	358.412	KXAPDTKVXJMMLT-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103716
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_7521428	358.412	PJSHFDOXVLJXSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103717
s1c2c(CCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)NC(=O)OC	PC-id_7521430	358.412	ZYGHNNLZSVRRJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103718
s1c2c(CCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)NC(=O)OC	PC-id_7521467	358.412	ZCNUENMBVSTZID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103719
s1c2c(CCC2)c(c1NC(=O)c1ccccc1)C(=O)NC(=O)OCC	PC-id_7521511	358.412	LARDDXOIEMTKLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103720
s1c2c(CCC2)c(c1NC(=O)Cc1ccccc1)C(=O)NC(=O)OC	PC-id_7521485	358.412	JYEKRKFKAPDEIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103721
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)C)C(=O)N	PC-id_31980488	358.412	QVKMYLBTYVHZEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103722
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(c(oc1C)C)C)C#N	PC-id_24524157	358.412	ZYWFYERCISIIHF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103723
c1(NC(=O)C(=O)NCCOC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBLF2820-0699,EMOLS-id_5625814,CoCoCo_5190606,MCULE-1853988260,ZINC22_10250638,PC-id_18586551	358.413	OSCTUGFADDFBGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103724
Cc1c2n(CCO2)nc1C(=O)N1CCN(CC1)S(=O)(=O)CCOC	PC-id_91959935	358.413	WUPXMYORJXZGLF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103725
COCCS(=O)(=O)N1CCC(CC1)NC(=O)c1nn2CCOc2c1	PC-id_91959822	358.413	VUDXIGBHGCCOBJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103726
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)N1CCOCC1)OC(C)(C)C	SCHEMBL19203380	358.413	XMPBAFKIXGJYHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103727
c12SCCn1cc(CNC(=O)C1CC(=O)N(c3ccc(cc3)O)C1)n2	EMOLS-id_49663106,MCULE-8172431945,PC-id_74241968	358.415	WQSPPFDQHZOFOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103728
C1Cc2c(C1)sc(n2)CCNC(=O)CCc1nc(no1)c1ccco1	PC-id_135117131	358.415	QMBQDEKKMMLFSJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-103729
c1(NC(=O)NN=Cc2ccccn2)sc2c(CCC2)c1C(=O)OCC	PC-id_19168813,MCULE-1178175411	358.415	AMNBJWQKGSUDFB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103730
c1(NC(=O)NN=Cc2cccnc2)sc2c(CCC2)c1C(=O)OCC	MCULE-5264667592,PC-id_19168814	358.415	SNSIHGSLVJCSKK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103731
c1(NC(=O)NN=Cc2ccncc2)sc2c(CCC2)c1C(=O)OCC	MCULE-1184403361,PC-id_19168815	358.415	OOPFTYOATNJKFX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103732
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(N(=O)=O)c1)N1CCCC1	PC-id_46565006,EMOLS-id_334663128,MCULE-5578762869	358.415	JVMRXHZWXXYLCO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103733
CCC(=C1C(=O)N(C)C(=O)N(C1=O)C)Nc1sc2c(c1C#N)CCC2	GD-id_ZINC09954057	358.415	QTNFBKBFTBCDCX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103734
CC(C)(C)n1nc2c(c1NC(=O)c1cc(c3ccco3)on1)CSC2	ZINC22_42379362,PC-id_49671175,MCULE-8172668099,EMOLS-id_30763384	358.415	IHPPZGQFMRVROL-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-103735
CCN(c1cc(C=c2c(=O)n3c(ncn3)s2)c(OC(=O)C)cc1)CC	EMOLS-id_9877797,MCULE-1250523553	358.415	FGVHJGWQZZVPJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103736
CCN(c1ccc(c(c1)/C=c
/sc2n(c1=O)ncn2)OC(=O)C)CC	PC-id_97741310	358.415	FGVHJGWQZZVPJW-OQLLNIDSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103737
CCN(CC)c1ccc(OC(=O)C)c(/C=c/2sc3ncnn3c2=O)c1	EMOLS-id_45606647,ZINC22_10037736	358.415	FGVHJGWQZZVPJW-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-103738
CC(=O)Nc1cc(NC(=O)C)cc(C(=O)Nc2nc3c(s2)CCC3)c1	MCULE-8022461205,ZINC22_25767414,EMOLS-id_43971912,PC-id_33039082	358.415	KWSJERDGULVSFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103739
N1(c2cccc(O)c2)CC(CC1=O)C(=O)NCc1cn2c(SCC2)n1	PC-id_74240708,EMOLS-id_49660534,MCULE-1446748057	358.415	ZGLPHXUUIGHGMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103740
O=C(NCc1cn2c(n1)SCC2)[C@@H]1CC(=O)N(c2cccc(O)c2)C1	PC-id_98323391,ZINC22_102535454	358.415	ZGLPHXUUIGHGMD-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103741
O=C(NCc1cn2c(n1)SCC2)[C@H]1CC(=O)N(c2cccc(O)c2)C1	ZINC22_102535457,PC-id_98323392	358.415	ZGLPHXUUIGHGMD-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-103742
O=C(NCc1cn2c(n1)SCC2)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1	PC-id_97927335,ZINC22_97632201	358.415	WQSPPFDQHZOFOL-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103743
O=C(NCc1cn2c(n1)SCC2)[C@H]1CC(=O)N(c2ccc(O)cc2)C1	ZINC22_97632202,PC-id_97927336	358.415	WQSPPFDQHZOFOL-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-103744
O=C(NCc1nnc2CCCn12)c1cccc(c1)C1=CCCS1(=O)=O	MCULE-2137655479,EMOLS-id_68902306,ZINC22_299788701,PC-id_118776094	358.415	ZOBPZQBPICRFDX-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-103745
s1c2CCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])c(N(C)C)cc1	PC-id_84965646	358.415	WBDOHBYJIXQNIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103746
s1c2c(CCC2)c(c1N=Cc1cc([N+](=O)[O-])c(N(C)C)cc1)C(=O)N	PC-id_50885666	358.415	HEZMZLFTXYOECL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103747
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCC(=O)N	PC-id_16947650	358.415	YYTCKRIHSLDZFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103748
CN=C(NC1CCN(C1)c1ncccc1F)NCc1nnc2n1CCC2	PC-id_109642049	358.417	NEEXDZDDZRVHLF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-103749
c12CN(Cc1cnn2CCO)C(=O)Nc1ccnn1Cc1cccs1	MCULE-3203544201,ZINC22_299786405,EMOLS-id_68909753,PC-id_118779710	358.418	XDFVZEANDYXTJT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-103750
Cc1nn(c(n1)C)c1ccccc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100969036	358.418	YBIMJDNAIWANPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103751
CN(Cc1n[nH]c2c1CCC2)C(=O)NCc1noc(c2cccs2)n1	PC-id_122565097,EMOLS-id_177441455,MCULE-3733051398,ZINC22_534646573	358.418	KGLFVZYIMMROIO-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-103752
N#Cc1ccnc(c1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100180268	358.418	ISKJYHSBPNFJHI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-103753
N#Cc1c(NC(=O)CCc2onc(n2)C2CCCC2)nc2n1CCS2	EMOLS-id_100150427	358.418	GUGBLHBZTNAAOQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-103754
O=C(CCc1nc(c2cccs2)no1)NCCc1nnc2n1CCC2	EMOLS-id_36268760,MCULE-3722726142,ZINC22_69491507,PC-id_53527135	358.418	BXTWBPWBKXYLCH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-103755
O=C(CCCc1nc(c2cccs2)no1)NCc1nnc2n1CCC2	EMOLS-id_31938714,PC-id_39296767,ZINC22_32059052,MCULE-4431215613	358.418	KXPRYZUQIXFYOS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-103756
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCCC1	MCULE-8365663710,CoCoCo_5972343,TIMTEC417962,PC-id_1252992,ZINC22_1063377,EMOLS-id_1990982	358.43	QZWVXURXSCMOSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103757
O=C1CCC(C(N1)c1ccccc1F)NC(=O)c1sc2c(c1)CCC2	ASN-12897257	358.43	BYWRBQHWUDGGHI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-103758
O=C(N1CCc2c1cc(s2)C(=O)NC1CCCC1)c1ccc(cc1)F	PC-id_97442325	358.43	RZBSJPBWSKQGAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103759
CCCOc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2(CC)C(=O)O	PC-id_70411518,SCHEMBL10645599	358.431	LDTTZUUMEIUFPD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-103760
CCCOc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)OCC	SCHEMBL10643753,PC-id_70410980	358.431	WWZKGJPFENYVNZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-103761
C[C@H]1C[C@H](NC(=O)C23CC(CO2)C3)CCN1C(=O)c1occ2c1CCC2	ZINC22_1875406892	358.431	OKHAKYQMFGGMQP-HIYYWSJFSA-N	00001010100010000000001010000000000000000000000000000000	25-01-103762
C[C@@H]1C[C@@H](NC(=O)C23CC(CO2)C3)CCN1C(=O)c1occ2c1CCC2	ZINC22_1875406893	358.431	OKHAKYQMFGGMQP-NZQRWCOISA-N	00001010100010000000001010000000000000000000000000000000	25-01-103763
C[C@@H]1C[C@H](NC(=O)C23CC(CO2)C3)CCN1C(=O)c1occ2c1CCC2	ZINC22_1875406894	358.431	OKHAKYQMFGGMQP-QKJNHEILSA-N	00001010100010000000001010000000000000000000000000000000	25-01-103764
C[C@H]1C[C@@H](NC(=O)C23CC(CO2)C3)CCN1C(=O)c1occ2c1CCC2	ZINC22_1875406895	358.431	OKHAKYQMFGGMQP-RYXURJAYSA-N	00001010100010000000001010000000000000000000000000000000	25-01-103765
Cc1ccccc1CNC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-7491990026,PC-id_46861353,EMOLS-id_31548404	358.433	QFQMWMNNSSBUNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103766
Cc1ccccc1CNC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364605,PC-id_52340554	358.433	QFQMWMNNSSBUNV-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103767
Cc1ccccc1CNC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364606,PC-id_52340555	358.433	QFQMWMNNSSBUNV-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-103768
Cc1ccc(C)c(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	MCULE-1893687815,EMOLS-id_31548242,PC-id_46861272	358.433	COGCOKQVRALUCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103769
Cc1cc(C)cc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	MCULE-4566536692,EMOLS-id_31548222,PC-id_46861262	358.433	WKVHGYXAOCRNFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103770
Cc1cc(C)cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340374,ZINC22_51364423	358.433	WKVHGYXAOCRNFQ-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103771
Cc1ccc(C)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340394,ZINC22_51364443	358.433	COGCOKQVRALUCQ-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103772
Cc1cc(C)cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364424,PC-id_52340375	358.433	WKVHGYXAOCRNFQ-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-103773
Cc1ccc(C)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364444,PC-id_52340395	358.433	COGCOKQVRALUCQ-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103774
Cc1cccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1C	EMOLS-id_31548238,PC-id_46861270,MCULE-7404917402	358.433	DFNZJWOBKDNSPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103775
Cc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1C	ZINC22_51364439,PC-id_52340390	358.433	DFNZJWOBKDNSPW-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103776
Cc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1C	ZINC22_51364440,PC-id_52340391	358.433	DFNZJWOBKDNSPW-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103777
Cc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1C	EMOLS-id_31548220,PC-id_46861261,MCULE-4411499530	358.433	ZHJFKLSWXJGAIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103778
Cc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(C)c1	MCULE-6602148523,EMOLS-id_31548240,PC-id_46861271	358.433	WABWJCLWYZPVKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103779
Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1C	PC-id_52340373,ZINC22_51364422	358.433	ZHJFKLSWXJGAIL-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-103780
Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1C	ZINC22_51364421,PC-id_52340372	358.433	ZHJFKLSWXJGAIL-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103781
Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(C)c1	PC-id_52340392,ZINC22_51364441	358.433	WABWJCLWYZPVKE-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103782
Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(C)c1	PC-id_52340393,ZINC22_51364442	358.433	WABWJCLWYZPVKE-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103783
CCc1ccccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861264,EMOLS-id_31548226,MCULE-7334162802	358.433	BIFNKHLNJOEBMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103784
CCc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340378,ZINC22_51364427	358.433	BIFNKHLNJOEBMM-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103785
CCc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340379,ZINC22_51364428	358.433	BIFNKHLNJOEBMM-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103786
CCc1cccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	MCULE-2645833842,PC-id_46861265,EMOLS-id_31548228	358.433	VEGQUJJOSDYZCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103787
CCc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364429,PC-id_52340380	358.433	VEGQUJJOSDYZCE-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103788
CCc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364430,PC-id_52340381	358.433	VEGQUJJOSDYZCE-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-103789
CCc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	PC-id_46861266,MCULE-8718267524,EMOLS-id_31548230	358.433	NHYUVHJGFKPMDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103790
CCc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340382,ZINC22_51364431	358.433	NHYUVHJGFKPMDR-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103791
CCc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364432,PC-id_52340383	358.433	NHYUVHJGFKPMDR-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-103792
CC(=O)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8882373055,EMOLS-id_328218742	358.433	RIUSKFJYUSNPAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103793
CC(=O)c1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328219508,MCULE-9832248550	358.433	MQEWXKQSQWQQRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103794
CC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-3294930570,EMOLS-id_328219509	358.433	JWUSHRAUSLSLHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103795
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC(=O)c1ccccc1	MCULE-2816459864,EMOLS-id_328213876	358.433	OLJHGVYXAGQXLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103796
O=C(NCc1ccc(cc1)C)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46925749	358.433	FEZYEQBAASXFOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103797
O=C(NCc1ccc(cc1)C)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52451461	358.433	FEZYEQBAASXFOE-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103798
O=C(NCc1ccc(cc1)C)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52451462	358.433	FEZYEQBAASXFOE-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-103799
c1(CN(C)C(=O)NC(C)c2ccc(c(OC)c2)OC)c2CCCc2[nH]n1	MCULE-1501346877,PC-id_122557827,EMOLS-id_177375399	358.435	PQSGTHNFSWKENL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103800
Cc1ccc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)o1	EMOLS-id_313734356,ZINC22_1565554077	358.435	JKAWMVDWDHOQKY-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103801
CC1CCN(CC1)C(CNC(=O)c1nn2CCOc2c1C)c1ccco1	PC-id_91959942	358.435	JEUNWWRBGMEGLO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103802
COc1ccccc1N1CCN(CC1)CCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_53742272,PC-id_53742272	358.435	CVLMZZGNUFHGHY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103803
COc1ccc([C@@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCC3)cc1OC	ZINC22_534583367	358.435	PQSGTHNFSWKENL-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103804
COc1ccc([C@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCC3)cc1OC	ZINC22_534583368	358.435	PQSGTHNFSWKENL-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103805
COc1cc(C(=O)NCc2nnc3n2CCC3)ccc1OCCC(C)C	EMOLS-id_44040171,ZINC22_58537926,MCULE-8802388910,PC-id_52550848	358.435	DGTJKFQDAAUOMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103806
N#Cc1c(NC(=O)COC(=O)/C=C/c2cccs2)sc2c1CCC2	CoCoCo_2944635,PC-id_8649111,ZINC22_7550579	358.435	AKOMRMVFRFKTNY-VOTSOKGWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-103807
N#Cc1c(NC(=O)COC(=O)/C=Cc2cccs2)sc2c1CCC2	CoCoCo_2944636	358.435	AKOMRMVFRFKTNY-SREVYHEPSA-N	00000010100100000000000010000000000000000000000000000000	25-01-103808
N#Cc1c(NC(=O)COC(=O)C=Cc2cccs2)sc2c1CCC2	PC-id_71953943,EMOLS-id_43729104,MCULE-7872249305	358.435	AKOMRMVFRFKTNY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-103809
O=C(c1cnc2n1CCC2)N1CC[C@@H](C2CC2)[C@@H]1CNC(=O)C1(O)CC1	ZINC22_1875408166	358.435	PUGMBLMCYJUSMK-KBPBESRZSA-N	00100010100000000001100010000000000000000000000000000000	25-01-103810
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389264,MCULE-2864541747	358.455	PTDYIKKMIYTMGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103870
O=C(c1cnc2n1CCC2)N1CC[C@H](C2CC2)[C@@H]1CNC(=O)C1(O)CC1	ZINC22_1875408167	358.435	PUGMBLMCYJUSMK-KGLIPLIRSA-N	00100010100000000001100010000000000000000000000000000000	25-01-103811
O=C(c1cnc2n1CCC2)N1CC[C@@H](C2CC2)[C@H]1CNC(=O)C1(O)CC1	ZINC22_1875408168	358.435	PUGMBLMCYJUSMK-UONOGXRCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-103812
O=C(c1cnc2n1CCC2)N1CC[C@H](C2CC2)[C@H]1CNC(=O)C1(O)CC1	ZINC22_1875408169	358.435	PUGMBLMCYJUSMK-ZIAGYGMSSA-N	00100010100000000001100010000000000000000000000000000000	25-01-103813
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CN1C(=O)CCC1=O	PC-id_92109851	358.435	HSDJYEBYISEWRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103814
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1ccsc1)C#N	PC-id_78725809	358.435	RXFYZIHTRJLPAQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-103815
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1ccsc1)C#N	PC-id_8567566	358.435	RXFYZIHTRJLPAQ-SNAWJCMRSA-N	00000010100100000000000010000000000000000000000000000000	25-01-103816
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)/C=C/c1ccccc1	PC-id_68439828,SCHEMBL2916080	358.436	BWBOAQREVATBKP-OUKQBFOZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103817
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)/C=Cc1ccccc1	SCHEMBL2915922	358.436	BWBOAQREVATBKP-SEYXRHQNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103818
O=C(Nc1[nH]nc2c1CN(C2)CCc1ccccc1)C=Cc1ccccc1	SCHEMBL2916085,PC-id_68439832	358.436	SSGUFZQNIRKTET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103819
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)/C=C/c1ccccc1	SCHEMBL2916082,PC-id_68439829	358.436	SSGUFZQNIRKTET-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103820
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)/C=Cc1ccccc1	SCHEMBL2918710	358.436	SSGUFZQNIRKTET-QXMHVHEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103821
O=C(Nc1n[nH]c2CN(Cc12)C(c1ccccc1)C)C=Cc1ccccc1	PC-id_68439773	358.436	BWBOAQREVATBKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103822
c1(c2CCCc2[nH]n1)C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1	EMOLS-id_331149341,MCULE-2567852304,ZINC22_1875248127	358.438	YLNKGCXFBORWKY-RDJZCZTQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103823
c1(C(=O)N2CCC(CC2)Cc2nn(c(=O)n2CC)C)c2CCCc2[nH]n1	EMOLS-id_36582060,MCULE-3705460071,ZINC22_67756637,PC-id_56745641	358.438	XRMYJQSLBZVUEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103824
c
(=N/C(=O)Cn2c(=O)ccc(c3cccs3)n2)/sc2c(CCC2)[nH]1	EMOLS-id_35783542,ZINC22_61718021,PC-id_52898102,MCULE-1371079183,STOCK7S-12138,EMOLS-id_46559517	358.438	QIRZZWYJBUOVLR-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-103825
Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)no1	ZINC22_328645199	358.438	SCKPWYOABPBTGE-CYBMUJFWSA-N	00000010100000000101000010000000000000000000000000000000	25-01-103826
Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)no1	ZINC22_328645200	358.438	SCKPWYOABPBTGE-ZDUSSCGKSA-N	00000010100000000101000010000000000000000000000000000000	25-01-103827
Cc1noc(CCCN2CC[C@@](C)(NC(=O)c3cnn4c3CCC4)C2)n1	ZINC22_1875407991	358.438	MAFDZCGDYJLVOC-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103828
Cc1noc(CCCN2CC[C@](C)(NC(=O)c3cnn4c3CCC4)C2)n1	ZINC22_1875407992	358.438	MAFDZCGDYJLVOC-SFHVURJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103829
CN(Cc1n[nH]c2c1CCC2)c1cc([C@H]2CCOC2)nc(NCCO)n1	ZINC22_299801209	358.438	WFTZJCCRULCNIZ-LBPRGKRZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103849
CC(c1cnn2c1CCC2)N[C@@H]1CCN(C1)c1cc(=O)n(c(=O)n1C)C	EMOLS-id_320291039,PC-id_145911612,MCULE-3063914134	358.438	FXCKKOOBOPRDFV-ZGTCLIOFSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103830
CC(c1cnn2c1CCC2)N[C@H]1CCN(C1)c1cc(=O)n(c(=O)n1C)C	PC-id_146112701,EMOLS-id_323952100	358.438	FXCKKOOBOPRDFV-ABLWVSNPSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103831
CCc1noc(CN2CCC[C@@H]2CCNC(=O)c2cnc3n2CCC3)n1	ZINC22_1875406837	358.438	NGMCYCPZJARMHV-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103832
CC(C)c1noc(C2CCN(C(=O)NCc3n[nH]c4c3CCC4)CC2)n1	EMOLS-id_177360751,ZINC22_426360067,PC-id_121494669,MCULE-7719786000	358.438	PTTXFAYKVJTOBJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103833
C[C@@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1cnn2c1CCC2	ZINC22_1875399623	358.438	FXCKKOOBOPRDFV-CHWSQXEVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103834
C[C@H](N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1)c1cnn2c1CCC2	ZINC22_1875399624	358.438	FXCKKOOBOPRDFV-QWHCGFSZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103835
CCN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@@H]1c1cncn1C	MCULE-6721629719,EMOLS-id_316085834,ZINC22_952852874	358.438	NEORMCSHGGHDMB-IRXDYDNUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103836
CCN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@@H]1c1nccn1C	ZINC22_886027096,EMOLS-id_316092993,MCULE-3614760515	358.438	DZODEHUDOUJEET-JKSUJKDBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103837
CCN1CCO[C@@H](CNC(=O)c2cnn3c2CCC3)[C@@H]1c1ccnn1C	ZINC22_952853024,EMOLS-id_316108608,MCULE-7007135033	358.438	WMMJOOHILCPDJB-IRXDYDNUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103838
CCN1CCO[C@@H](CNC(=O)c2cnn3c2CCC3)[C@@H]1c1cncn1C	MCULE-3387893777,ZINC22_952852511,EMOLS-id_316091203	358.438	CYCPNVLLJVFTBI-IRXDYDNUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103839
CCN1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1ccnn1C	MCULE-9246013504,ZINC22_886066142,EMOLS-id_316105537	358.438	QNUOMMQXVQKYJM-RDJZCZTQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103840
CCN1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1cncn1C	MCULE-5626152753,EMOLS-id_316089667,ZINC22_952852778	358.438	LFLVFMAZDJRCIT-RDJZCZTQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103841
CCN1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1nccn1C	MCULE-3271081688,EMOLS-id_316088910,ZINC22_886027423	358.438	XMQWVWZQMBLVKI-GOEBONIOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103842
CCNC(=NCc1ccc(c(c1)OC)OC)NCc1nnc2n1CCC2	PC-id_111020249	358.438	CUXCTWAUMHIOJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103843
CCNC(=NCc1ccc(cc1OC)OC)NCc1nnc2n1CCC2	PC-id_111020617	358.438	OWABEUQVTYDJGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103844
CCNC(=NCc1nnc2n1CCC2)Nc1ccc(c(c1)OCC)OC	PC-id_109578749	358.438	HUOMBVPNPNSKPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103845
CCNC(=NCc1nnc2n1CCC2)Nc1ccc(c(c1)OC)OCC	PC-id_109581727	358.438	RQLMMKVQGGDFQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103846
CN(C1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2)Cc1noc(n1)C	MCULE-2406645930,EMOLS-id_316039398	358.438	SCKPWYOABPBTGE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-103847
CN(Cc1n[nH]c2c1CCC2)c1cc([C@@H]2CCOC2)nc(NCCO)n1	ZINC22_299801208	358.438	WFTZJCCRULCNIZ-GFCCVEGCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103848
CN(Cc1n[nH]c2c1CCC2)C(=O)NCc1nc(C2CCCCC2)no1	ZINC22_534662725,PC-id_122569582,MCULE-6187523489,EMOLS-id_177482080	358.438	DYGIOUWGWIKLHJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103850
CN(Cc1n[nH]c2CCCc12)c1cc(nc(NCCO)n1)C1CCOC1	MCULE-5423222739,PC-id_118788864,EMOLS-id_68927813	358.438	WFTZJCCRULCNIZ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103851
CN=C(N(Cc1ccc(cc1OC)OC)C)NCc1nnc2n1CCC2	PC-id_111296845	358.438	RADRLGJHGZHLBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103852
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(c(c1)OC)OC	PC-id_111020259	358.438	YZINSFOVLPILCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103853
CN=C(NCc1nnc2n1CCC2)NCC(Oc1cccc(c1)OC)C	PC-id_111501861	358.438	BEHRTUUEUQOGSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103854
CN=C(NCc1nnc2n1CCC2)NCC(Oc1ccccc1OC)C	PC-id_111502879	358.438	ZYTXJRUCGSLGSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103855
COCCCOc1cccc(c1)NC(=NC)NCc1nnc2n1CCC2	PC-id_109461108	358.438	WHPUHMFXZKBHBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103856
o1c([C@H](N2CCCCC2)CNC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52270179	358.438	QRLWCZYKUNUXEO-CQSZACIVSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103857
o1c([C@@H](N2CCCCC2)CNC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52270181	358.438	QRLWCZYKUNUXEO-AWEZNQCLSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103858
o1c(C(N2CCCCC2)CNC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_75817581	358.438	QRLWCZYKUNUXEO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103859
s1c2c(CCC2)c(c1NC(=O)CSc1nccc(c1)C#N)C(=O)N	PC-id_60458965	358.438	DYAYQCXKVWPEKZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103860
c1ccc(c2ncn(Cc3n[nH]c4c3CCC4)c2CCn2cccn2)cc1	MCULE-5064567932,ZINC22_67447112,EMOLS-id_32370790,PC-id_50949601	358.44	FFXAYYJPXXBPTQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-103861
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)Cc1nocc1	PC-id_109505599	358.441	RTFGXHIWENHDKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-103862
CCNC(=NCc1nnc2n1CCC2)N1CCOC(C1)c1cnn(c1)C	PC-id_120056682	358.441	LTURXXNPUCGHTG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-103863
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)NC1CCCCC1	CoCoCo_541195,PC-id_1245572,CHEMBL1487974,MCULE-8391495418,ZINC22_1054010,TIMTEC604687,EMOLS-id_2041746	358.455	ZUKFPGSTLOZWHV-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-103864
c1(c2CCCc2sc1NC(=O)C(C)C)C(=O)Nc1ccc(cc1)OC	PC-id_1220020,ZINC22_994981,EMOLS-id_2908754,CoCoCo_3258447,MCULE-9354889831,STOCK1S-80828	358.455	JODXCTMZEPIBAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103865
c1nccc(c1)CCCC(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327777477,MCULE-5885730601	358.455	SPOQUZHFEFIXSS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103866
c1(NC(=O)C2CCCC2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3241595624,EMOLS-id_334342052	358.455	MDVDZIONPJACRO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-103867
c1(NC(=O)c2ccc(cc2)N(C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5476619,ZINC22_4116367,CoCoCo_1761510,PC-id_4199842,MCULE-8184760920	358.455	ZZLVBWFOFFSYAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103868
c1(NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCC2)c1C(=O)NC	PC-id_7475036,CoCoCo_2590294,MCULE-9332733134,EMOLS-id_16349167,ZINC22_5055739	358.455	ULKUFUJOTCUWTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103869
c1(NC(=O)c2cccc(OCCCC)c2)sc2c(CCC2)c1C(=O)N	EMOLS-id_4036323,SPECS-id_AN-153/41728688,MCULE-8958774284,ZINC22_6264467,SPECS-id_AN-153/J107650,CoCoCo_6598722,PC-id_4503189,TIMTEC499378	358.455	VGSDSTJNJNLTFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103871
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330587,MCULE-1150191599	358.455	OPXGYAUIXDIOLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103872
c1(NC(=O)CCc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)N	MCULE-3907458145,PC-id_19226020	358.455	DPQRBHQARXBITB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103873
c1(NC(=O)CCc2ccccc2OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331098,MCULE-2308831238	358.455	HKVJKONIXFVSRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103874
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NC	MCULE-8857045577,EMOLS-id_334329051	358.455	NKEBPTZMOSJLKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103875
c1(NC(=O)CCc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NC	MCULE-1292744064,EMOLS-id_334331354	358.455	KCDLQVMTJUPCOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103876
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C(=O)N	MCULE-1839617803,PC-id_19173327	358.455	PVGJWZHIQTUOCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103877
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	MCULE-8360439296,PC-id_19173485	358.455	OSNBEEOLHJIHMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103878
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328538,MCULE-2111451075	358.455	PEZGJAZGCJUEAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103879
c1(NC(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)N	PC-id_19173659,MCULE-2798285683	358.455	MCXSKUBABWMFIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103880
c1(NC(=O)C(C)Oc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)N	TIMTEC552149,PC-id_4512916,MCULE-3948783770,EMOLS-id_4036353	358.455	XNQJLMZYTCCURU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103881
c1(NC(=O)CNCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-7214678888,EMOLS-id_2366889,PC-id_1267987,CoCoCo_678568,ZINC22_55212199	358.455	VEGJOUJGECPONL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103882
c1(NC(=O)CN(CC)c2cccc(C)c2)sc2c(CCC2)c1C(=O)O	MCULE-4794063374,PC-id_28866192,EMOLS-id_179131012	358.455	QPPXZTRBCWEYMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103883
c1(NC(=O)CN(CC)Cc2ccccc2)sc2c(CCC2)c1C(=O)O	MCULE-5568329911,PC-id_28866142,EMOLS-id_179130982	358.455	VJGRTCQCWBGRMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103884
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)N	TIMTEC294862,CoCoCo_1955452,EMOLS-id_6772328,ZINC22_1437998,MCULE-8495406685,PC-id_1515576	358.455	LSOZPJNSZBMXHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103885
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329299,MCULE-2981352374	358.455	VCAKOCUGXHINHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103886
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334335186,MCULE-5899464892	358.455	JSNCKYNZVPISBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103887
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328281,MCULE-5565198559	358.455	HRWLROPSBCHHCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103888
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328793,MCULE-4620662105	358.455	AONCJMLJDBNMDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103889
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NC	MCULE-4100421078,EMOLS-id_334335441	358.455	MCBLBQGPDJZNKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103890
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C(=O)N	MCULE-1728060459,PC-id_19173926	358.455	XDHUAICZQAUFNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103891
c1(NC(=O)COc2cc(C)cc(C)c2C)sc2c(CCC2)c1C(=O)N	MCULE-6551301401,PC-id_19177315	358.455	AEFQXTZWXKDUSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103892
c1(NC(=O)COc2cccc(C(C)C)c2)sc2c(CCC2)c1C(=O)N	PC-id_19175980,MCULE-6249041074	358.455	LMKBUJBNVQCNHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103893
c1(NC(=O)COC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330284,MCULE-3196517316	358.455	JEXWGKMKGNAMPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103894
c1(sc2c(CCC2)n1)NC(=O)C1(CCOCC1)c1ccc(cc1)OC	ZINC22_71284178,PC-id_56761140,EMOLS-id_36511240,MCULE-6011779020,STOCK7S-20757	358.455	XAAPNVBXBULZJB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103895
Cc1cccc([C@@H]2CCCN2C(=O)c2[nH]cc3c2CCS3(=O)=O)c1C	ZINC22_1875290605	358.455	SFHPTXCDXQJMAX-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103896
Cc1cccc([C@H]2CCCN2C(=O)c2[nH]cc3c2CCS3(=O)=O)c1C	ZINC22_1875290606	358.455	SFHPTXCDXQJMAX-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103897
Cc1ccc(cn1)C(=O)c1c(NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_331269471	358.455	QRFHRVYGKDLNNO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103898
Cc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(s3)CCC4)CC2)o1	ZINC22_65016218,MCULE-9118506259,EMOLS-id_44561311,PC-id_71881315	358.455	LDTWLOKUUSAFMC-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-103899
Cc1cc(c(o1)C)C(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_110436321	358.455	SJEGXZBLOSOMQY-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-103900
CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6709574,CoCoCo_2421385,PC-id_40636836	358.455	XNQJLMZYTCCURU-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-103901
CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6709623,PC-id_40636841,CoCoCo_2421384	358.455	XNQJLMZYTCCURU-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103902
CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_4503680,ZINC22_6263262	358.455	FVRBNYDWGWXKQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103903
CC(C)COc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_4503191,ZINC22_6262866	358.455	RSTYEGPYAPVMQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103904
CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_4503195,ZINC22_6262859	358.455	IVEIIDPIKQYNDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103905
CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_4535203,ZINC22_4428090	358.455	PQULRZUJOXXSCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103906
CC[C@@H](C)Oc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_6554869	358.455	IQWCYNJWKWCRHP-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103907
CC[C@H](C)Oc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_6555309	358.455	IQWCYNJWKWCRHP-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-103908
CC[C@@H](C)Oc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6554863	358.455	YTSBOFVZWQJCQY-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103909
CC[C@H](C)Oc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6555303	358.455	YTSBOFVZWQJCQY-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-103910
CCOC(=O)c1c(NC(=O)c2cccc(c2)N(C)C)sc2CCCc12	MCULE-5725541129,EMOLS-id_327988443	358.455	FFVSORYITDTVJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103911
CCOC(=O)c1c(NC(=O)CC(C)c2ccccn2)sc2CCCc12	MCULE-8120907848,EMOLS-id_328197894	358.455	SROYUJYFTWWJBC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103912
CCOC(=O)c1c(NC(=O)CC(C)c2cccnc2)sc2CCCc12	EMOLS-id_328187396,MCULE-9591920360	358.455	CGJYEQWKMFLUPF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103913
CCOC(=O)c1c(NC(=O)CC(C)c2ccncc2)sc2CCCc12	EMOLS-id_328144131,MCULE-4198307549	358.455	FEYHOXFGGRGXPY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103914
CCOC(=O)c1c(NC(=O)CNc2cccc(C)c2)sc2c1CCC2	ZINC22_5560702,EMOLS-id_3058262,PC-id_4341718,CoCoCo_3686223,MCULE-8309633441	358.455	IUIKAZTWKWHTJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103915
CCOC(=O)C[C@H](NC(=O)NC1Cc2cscc2C1)c1ccccc1	ZINC22_2325868704	358.455	HFLAQTZHTZDMDH-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103916
CCOC(=O)C[C@@H](NC(=O)NC1Cc2cscc2C1)c1ccccc1	ZINC22_2325868705	358.455	HFLAQTZHTZDMDH-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103917
COc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1cc2c(s1)CCC2	ZINC22_1875255890	358.455	VMPMMRWPAKCCLV-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103918
COc1ccccc1[C@H](C)NC(=O)CNC(=O)c1cc2c(s1)CCC2	ZINC22_1875255891	358.455	VMPMMRWPAKCCLV-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103919
COc1ccccc1C(NC(=O)CNC(=O)c1sc2c(c1)CCC2)C	PC-id_146086963,MCULE-9134296042,EMOLS-id_324025604	358.455	VMPMMRWPAKCCLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103920
COc1ccccc1NC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2	MCULE-8170575646,ZINC22_3107277,EMOLS-id_1277430,CoCoCo_134990,BAS-00795815,PC-id_2304846	358.455	KJTPLBUCSWWOPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103921
COC(=O)c1c(NC(=O)CN(C)Cc2ccccc2)sc2c1CCC2	MCULE-6023804697,ZINC22_3349061,EMOLS-id_45717241,PC-id_2466031	358.455	RSMVVYKABRGSAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103922
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCS(=O)(=O)C1	MCULE-4675298682,EMOLS-id_328213878	358.455	YZWNJCSOPGNWQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103923
O=C(c1ccccc1COC1CCOCC1)Nc1sc2c(n1)CCC2	EMOLS-id_318227698	358.455	IVKBUQGSFKZDQF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103924
O=C(C1(CCOCC1)OCc1ccccc1)Nc1sc2c(n1)CCC2	EMOLS-id_318159600	358.455	GWSJQTSZBMWUPO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-103925
O=C(C[C@@H](C(=O)NCc1sc2c(c1)CCC2)N)OCc1ccccc1	PC-id_114274737	358.455	OUMSBMWUKOSAEB-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103926
O=C(COc1ccccc1C(C)C)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_13569562,PC-id_22109182,MCULE-6229875137,CoCoCo_3440006	358.455	RLQRBAVZPUPJFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103927
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1cc(OC)ccc1)CC	PC-id_37552140	358.455	CEGWZUPKUPUXEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103928
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1c(OC)cccc1)CC	PC-id_37274347	358.455	ONGVWGTYNUWDJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103929
s1c2CCCc2cc1C(=O)NN=C(c1cc(c(OC)cc1)COC)C	PC-id_78698522	358.455	MYBQRKYZNCLGAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103930
s1c2CCCc2cc1C(=O)N/N=C(c1cc(c(OC)cc1)COC)/C	PC-id_8441228	358.455	MYBQRKYZNCLGAV-NDENLUEZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103931
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OCCC)cc1	PC-id_85015598	358.455	COWXQEXNRATFOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103932
s1c2CCCc2cc1C(=O)NN=Cc1c(OC(C)C)c(OC)ccc1	PC-id_85015445	358.455	PYMDBOUVLSYVRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103933
s1c2CCCc2cc1C(=O)NN=C(Cc1cc(OC)c(OC)cc1)C	PC-id_85015605	358.455	XLDURFODXKHAOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103934
s1c2CCCc2cc1C(=O)N/N=C(Cc1cc(OC)c(OC)cc1)/C	PC-id_9462718	358.455	XLDURFODXKHAOE-NDENLUEZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103935
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OCCCC)cc1	PC-id_27684546	358.455	CNTWEVZQWAMLAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103936
s1c2CCCc2cc1C(=O)NNC(=O)CCCOc1cc(ccc1)C	PC-id_24414312	358.455	NMHIZXVZOPSIFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103937
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H](Oc1c(c(ccc1)C)C)C	PC-id_9425348	358.455	VPXJBFSECJOLNL-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103938
s1c2CCCc2cc1C(=O)NNC(=O)[C@H](Oc1c(c(ccc1)C)C)C	PC-id_9425349	358.455	VPXJBFSECJOLNL-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103939
s1c2CCCc2cc1C(=O)NNC(=O)C(Oc1c(c(ccc1)C)C)C	PC-id_85006990	358.455	VPXJBFSECJOLNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103940
s1c2CCCc2cc1C(=O)NNC(=O)COc1cc(C(C)C)ccc1	PC-id_46482039	358.455	CDKCJXNVDJSGKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103941
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC(CC)C)cc1)C(=O)N	PC-id_4503194	358.455	YTSBOFVZWQJCQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103942
s1c2c(CCC2)c(c1NC(=O)c1cc(OC(CC)C)ccc1)C(=O)N	PC-id_4503190	358.455	IQWCYNJWKWCRHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103943
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1cc(c(cc1)C)C)C)C(=O)N	PC-id_1137504	358.455	HESYACQOVWLUNP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103944
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1cc(c(cc1)C)C)C)C(=O)N	PC-id_1137505	358.455	HESYACQOVWLUNP-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103945
s1c2c(CCC2)c(c1NC(=O)CN(c1ccccc1)C)C(=O)OCC	PC-id_2685160	358.455	JYAZZNLUDIUMKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103946
s1c2c(CCC2)c(c1NC(=O)C(Oc1cc(c(cc1)C)C)C)C(=O)N	PC-id_3136972	358.455	HESYACQOVWLUNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103947
c1(NC(=O)c2ccc(cc2)Cc2ccccc2)sc2c(CCC2)c1C#N	MCULE-1452413393,EMOLS-id_5424416,CoCoCo_4971295,ZINC22_4075743,PC-id_3479152	358.456	IWVBXXXBOQTTDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103948
c1(NC(=O)Cc2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_322819624,MCULE-7198494425	358.456	MXAJMGFOYYPNJX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-103949
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C#N	TIMTEC521865,ChEMBL-DNDi_CHEMBL6032859,MCULE-7716950066,SCHEMBL2644228,CoCoCo_201694,ZINC22_862614,EMOLS-id_1338801,BAS-01506031,PC-id_1124364,PD105344	358.456	WFUGLDCODXGXMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103950
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccc(c1)F)(C)C	PC-id_111624644	358.456	WGUYKIHNJBXQHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103951
s1c2CCCc2c(c1N=Cc1ccc(OCc2ccccc2)cc1)C#N	PC-id_23798930	358.456	CMUXHXYLKBNHNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103952
s1c2CCCc2c(c1N=Cc1cc(OCc2ccccc2)ccc1)C#N	PC-id_24046475	358.456	RFGKCMPJPXWJGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103953
s1c2CCCc2c(c1N=Cc1c(OCc2ccccc2)cccc1)C#N	PC-id_24073713	358.456	PQUYTGHSJYEOSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-103954
c12SCCn1cc(CNC(=O)N1CC(C1)Oc1ccccc1CC)n2	PC-id_121496669,MCULE-8252440633,ZINC22_426397676,EMOLS-id_177376622	358.458	YZZWELATTUIIPC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-103955
c1(cc2c(CCC2)s1)C(=O)N(C)CC1(O)CCN(c2ncccn2)C1	BDE-33794462,PC-id_110123880,MCULE-4529484281,EMOLS-id_44406886	358.458	SWMZVUPPEGBVRJ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103956
c1(C(=O)NCC2(CCCN(c3cnccn3)C2)O)cc2c(CCC2)s1	BDE-33792538,MCULE-6540698363,EMOLS-id_44406540,PC-id_110123489	358.458	BZPRVYJFPMZPEJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103957
c1(C(=O)NCC2(CCCN(c3ncccn3)C2)O)cc2c(CCC2)s1	BDE-33793170,MCULE-6649816812,PC-id_110123632,EMOLS-id_171636112	358.458	ROVAYZXYZAUHNP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103958
c1(NC(=O)c2cccc(c2)NC(=O)C(C)CC)n(C)nc2CSCc12	PC-id_134714017,EMOLS-id_316226320,MCULE-2439294917	358.458	XPMLVBLAOYBELZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103959
c1(NC(=O)CCC(=O)Nc2ccccc2CC)n(C)nc2CSCc12	EMOLS-id_316151246,ZINC22_1529125989,PC-id_134701379,MCULE-7820701085	358.458	JCTAVPIXUJNMRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103960
c1(NC(=O)C(=O)NCc2ccccc2)c2CSCc2nn1C(C)(C)C	MCULE-1527971685,EMOLS-id_5617890,CoCoCo_5184702,PC-id_7685524,ZINC22_5438211	358.458	AKYKEOYYEKYQFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103961
CC[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2c3c(nn2C)CSC3)c1	ZINC22_1529196273	358.458	XPMLVBLAOYBELZ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103962
CC[C@H](C)C(=O)Nc1cccc(C(=O)Nc2c3c(nn2C)CSC3)c1	ZINC22_1529196274	358.458	XPMLVBLAOYBELZ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-103963
CCNC(=O)c1cccc(NC(=O)NCCc2nc3CCCc3s2)c1	EMOLS-id_68874043,PC-id_118762875,MCULE-7877294619,ZINC22_299757607	358.458	HMTHZPUZDMFTBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103964
CCNC(=O)c1ccc(NC(=O)NCCc2nc3CCCc3s2)cc1	PC-id_118778102,MCULE-8605345241,EMOLS-id_68906416,ZINC22_299780206	358.458	BSNNPEAAGJYZQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103965
CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)c1cc2c(s1)CCC2	ZINC22_257306903	358.458	SWMZVUPPEGBVRJ-GOSISDBHSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103966
CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)c1cc2c(s1)CCC2	ZINC22_257306904	358.458	SWMZVUPPEGBVRJ-SFHVURJKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-103967
CN(CC(=O)N1CCc2c1cc(s2)C(=O)NCCc1ccccn1)C	PC-id_97407179	358.458	KDLOHBCGKLAWOC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103968
CN(CC(=O)N1CCc2c1cc(s2)C(=O)NCCc1cccnc1)C	PC-id_97524455	358.458	QRNNWYQWHUCRQG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103969
CN(CC(=O)N1CCc2c1cc(s2)C(=O)NCCc1ccncc1)C	PC-id_97524463	358.458	DGERPQJVNCQKQZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-103970
CN[C@@H](C)C(=O)Nc1nc2c(s1)CCC2C(=O)NCc1ccccc1	CHEMBL565821,PC-id_45487859	358.458	SNNNQQHQKSMHBH-AMGKYWFPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103971
n1c2CCCc2sc1CCNc1ccc(cn1)C(=O)N1CCOCC1	ZINC22_896069407,PC-id_135098259,MCULE-2819920095,EMOLS-id_317359832	358.458	WSHAMVRLGFWLIX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-103972
N#Cc1c(NC(=O)CCN2CCN(C(=O)C2)C2CC2)sc2c1CCC2	EMOLS-id_97782036	358.458	PLMFRFUEBFODND-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-103973
N#Cc1c(NC(=O)C(N2CCN(C(=O)C2)C2CC2)C)sc2c1CCC2	EMOLS-id_97781433	358.458	SNZDJHRLNYBQPK-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-103974
N#Cc1c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)sc2c1CCC2	CoCoCo_3600092,ZINC22_14185026,PC-id_17567255,EMOLS-id_13517322,MCULE-1446373659	358.458	WBQYNSKYVZEUPN-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-103975
N#Cc1c(NC(=O)C(N2CN(C(=O)C2)CC2CC2)C)sc2c1CCC2	EMOLS-id_100913829	358.458	RQEOVAQWIOYJLZ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-103976
O=C(c1nnn(c1)C(C)(C)C)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_100498426	358.458	MMXHVWXCOUANPX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-103977
O=C(Cn1cc(NC(=O)c2cc3c(s2)CCC3)cn1)NC1CCCC1	ZINC22_61565294,EMOLS-id_44560237,PC-id_49055200,MCULE-5567680663	358.458	NVRZBFBLYZLNDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103978
O=C(Cn1ncc2c1CSC2)NC(c1cccnc1)C1CCOCC1	PC-id_92117951	358.458	FRJRKIFREMCXSP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-103979
O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cc2c(s1)CCC2	ZINC22_257211633	358.458	BZPRVYJFPMZPEJ-GOSISDBHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103980
O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1cc2c(s1)CCC2	ZINC22_257211634	358.458	BZPRVYJFPMZPEJ-SFHVURJKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103981
O=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1cc2c(s1)CCC2	ZINC22_257299119	358.458	ROVAYZXYZAUHNP-GOSISDBHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103982
O=C(NC[C@@]1(O)CCCN(c2ncccn2)C1)c1cc2c(s1)CCC2	ZINC22_257299120	358.458	ROVAYZXYZAUHNP-SFHVURJKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103983
s1c2CCCc2nc1NC(=O)CN1CCN(CC1)c1ccc(O)cc1	PC-id_60496679	358.458	DHRDTNMFBNDGMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-103984
s1c2CCC(c2nc1NC(=O)C(NC)C)C(=O)NCc1ccccc1	PC-id_75116999	358.458	SNNNQQHQKSMHBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103985
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)C(C)C	PC-id_44053377	358.458	UGZSKVJJRDTPBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103986
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C)CC(=O)NCCC)C1	PC-id_44052870	358.458	JCGRXTMVBJCQTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103987
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C)CC(=O)NCCC)C1	PC-id_44052871	358.458	MELJDUZGVCZGIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103988
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C)CC(=O)NCCC)C1	PC-id_44052872	358.458	QLMDBNDYNUIXLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103989
S1Cc2c(nn(c2NC(=O)Cc2ccccc2)CC(=O)NCCC)C1	PC-id_44052913	358.458	RGFSROYVWTVTTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103990
S1Cc2c(nn(c2NC(=O)CCC)CC(=O)NCc2ccccc2)C1	PC-id_44053376	358.458	VSJJUEHBJHUIRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103991
S1Cc2c(nn(c2NC(=O)CC)CC(=O)NCCc2ccccc2)C1	PC-id_44053797	358.458	UOBKEZGIHHMODC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-103992
c1(NC(=O)Cc2csc(NS(=O)(=O)C)n2)sc2c(CCC2)n1	EMOLS-id_323481410,MCULE-4782986738	358.46	LEKVKWSSZMAZIR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-103993
Cc1nn(CC(C)C)c2sc(C(=O)NCc3nnc4n3CCC4)cc12	MCULE-8807851556,ZINC22_48303431,EMOLS-id_30696290,PC-id_47017176	358.461	INNQFVGTECVNDI-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-103994
N#Cc1sc(cc1NC(=O)NCCc1nnc2n1CCC2)C(C)(C)C	EMOLS-id_48317906,PC-id_75443255	358.461	QDCORHOSJICAPV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-103995
O=C(C1CCN(CC1)c1nccnc1)NCCc1nc2n(c1)CCS2	EMOLS-id_99844448	358.461	MQLJYGYCZPQHFB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103996
O=C(N1CCN(CC1)c1cnccn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000063	358.461	OEHASKHLKZKUQZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103997
O=C(N1CCN(CC1)c1ncccn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999934	358.461	IYBHPDBDEXXVPV-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103998
NC(=NCCc1nc2n(c1)CCS2)N1CCN(CC1)c1ncccn1	PC-id_120363258	358.464	IYZCPZILIOFMGF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-103999
Fc1ccccc1C(=O)Nc1sc2CCCc2c1CN1CCCCC1	EMOLS-id_6890080,CoCoCo_4651811,ZINC22_4748616,PC-id_1281741,MCULE-6570189677	358.473	OWRODAHKBXWDSW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-104000
Cc1ccc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328214386,MCULE-4211300536	358.476	IXHUFBFUELNWKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104001
Cc1cc(C)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C)c1	MCULE-6873407713,EMOLS-id_328216691	358.476	QMRVPPOUJSZMLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104002
CCc1cccc(C)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328220530,MCULE-7252034823	358.476	SACWBNLEXRCGKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104003
CC(C)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6274812745,EMOLS-id_328220273	358.476	NCYIHBUVUSKDNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104004
CC(C)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328218482,MCULE-8164922320	358.476	MNSXOEHUTPMVOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104005
CCN(Cc1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3597592061,EMOLS-id_328340371	358.476	SITFPLXXPCXUPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104006
CCN(C(=O)c1cc2CCCc2n1Cc1ccccc1)c1cccc(C)c1	MCULE-9334126610,EMOLS-id_328338335	358.476	WNRBTUHXFJCIQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104007
CCS(=O)(=O)N1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956509	358.476	RWLYQQVCNDVWIR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104008
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCc1ccccc1	EMOLS-id_328212858,MCULE-2472790059	358.476	VAIMWZVUENGBSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104009
c1(NC(=O)CCSc2ccc(cc2)OC)sc2c(CCC2)c1C#N	CoCoCo_5190269,EMOLS-id_5625228,PC-id_18586309,ZINC22_10219576,MCULE-8986993365	358.478	YGNNWSUECNZFBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104010
c1(NC(=O)CS(=O)C(C)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-9960763272,EMOLS-id_320645107	358.478	PHSYRBGLFGFFLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104011
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1ccc(cc1)C	EMOLS-id_186590870,MCULE-7747848964	358.478	BIQZFLYQINPVFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104012
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1ccccc1C	MCULE-9254537809,EMOLS-id_186600746	358.478	NBGHRHPNWKZWEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104013
CC1(C)C[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnn3c2CCC3)C1(C)C	ZINC22_1875407626	358.478	FGXLRUULGNYTEY-DZGCQCFKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104014
CC1(C)C[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2cnn3c2CCC3)C1(C)C	ZINC22_1875407627	358.478	FGXLRUULGNYTEY-UKRRQHHQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104015
C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](CCNC(=O)c3cnn4c3CCC4)C2)C1	ZINC22_1875407417	358.478	ZMPBAVQPELGLCP-BZUAXINKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104016
C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CCNC(=O)c3cnn4c3CCC4)C2)C1	ZINC22_1875407418	358.478	ZMPBAVQPELGLCP-OAGGEKHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104017
C[C@@H]1CC[C@@H](C(=O)N2CC[C@H](CCNC(=O)c3cnn4c3CCC4)C2)C1	ZINC22_1875407419	358.478	ZMPBAVQPELGLCP-OWCLPIDISA-N	00000010100000000001000010000000000000000000000000000000	25-01-104018
C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CCNC(=O)c3cnn4c3CCC4)C2)C1	ZINC22_1875407420	358.478	ZMPBAVQPELGLCP-PMPSAXMXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104019
CSc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218546	358.478	YIESCIKZKSTMHK-YFHOEESVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104020
CSc1ccc(cc1)C=CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4457117,EMOLS-id_26063035,MCULE-4671830595	358.478	YIESCIKZKSTMHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104021
CSc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_3305982,CoCoCo_3218545,PC-id_2421700	358.478	YIESCIKZKSTMHK-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104022
O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)CCC1CCCCC1	EMOLS-id_98244010	358.478	HVBMKKTZDJBDLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104023
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH2+][C@H](c1ccccc1)C)C)C(=O)N	PC-id_9248776	358.478	SSUZIXFQPLNCDK-RYUDHWBXSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104024
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH2+][C@@H](c1ccccc1)C)C)C(=O)N	PC-id_9248778	358.478	SSUZIXFQPLNCDK-NEPJUHHUSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104025
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH2+][C@H](c1ccccc1)C)C)C(=O)N	PC-id_9248780	358.478	SSUZIXFQPLNCDK-NWDGAFQWSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104026
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH2+][C@@H](c1ccccc1)C)C)C(=O)N	PC-id_9248782	358.478	SSUZIXFQPLNCDK-VXGBXAGGSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104027
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccccc1)C)C)C(=O)N	PC-id_9274749	358.478	VRIJCLTXKCIBSK-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104028
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccccc1)C)C)C(=O)N	PC-id_9274752	358.478	VRIJCLTXKCIBSK-GFCCVEGCSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104029
s1c2c(CCC2)c(c1NC(=O)C([NH2+]C(c1ccccc1)C)C)C(=O)N	PC-id_84963157	358.478	SSUZIXFQPLNCDK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104030
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1ccccc1)C)C)C(=O)N	PC-id_84968618	358.478	VRIJCLTXKCIBSK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104031
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccccc1)CC)C(=O)N	PC-id_8541766	358.478	HUVFVCSDQIAMKC-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104032
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(cccc1)C)C)C(=O)N	PC-id_8964572	358.478	BJLRNDIBOISZEV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104033
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(cc1)C)C)C(=O)N	PC-id_9025329	358.478	VACPBUSTDCOGII-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104034
CC1(C)C[C@@H](S(=O)(=O)N)CN1CC(=O)Nc1nc2c(s1)CCC2	ZINC22_2325848326	358.479	DNHHJRDMVAJLCM-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104035
CC1(C)C[C@H](S(=O)(=O)N)CN1CC(=O)Nc1nc2c(s1)CCC2	ZINC22_2325848327	358.479	DNHHJRDMVAJLCM-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-104036
CC1CCS(=O)(=O)CCN1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_100844984	358.479	YPIKQTMLCGWNFN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-104037
CC1CN(CCS(=O)(=O)C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_100865088	358.479	KGUYHTWIUNEQJD-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-104038
CCCN(C(=O)C1CSCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100197063	358.479	KIBMSXWOPLOYIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104039
CCC(NC(=O)C1CSCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100201272	358.479	PUUOQHDIGLEKAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104040
CC(CNC(=O)C1CSCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100203174	358.479	MQUSNTKRVLNHLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104041
CC(N(C(=O)C1CSCN1S(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_100199271	358.479	RDHMEPHEWNVJNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104042
CCN(C(=O)C1CSCN1S(=O)(=O)c1cnc2n1CCC2)CC	EMOLS-id_100199274	358.479	AIDUKAJYRDWMIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104043
O=C(C1CSCN1S(=O)(=O)c1cnc2n1CCC2)NC(C)(C)C	EMOLS-id_100195161	358.479	PGNUECSDTYPEIF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104044
O=C(N1CCC(S(=O)(=O)CC1)C)NCCc1nc2n(c1)CCS2	EMOLS-id_100700118	358.479	VVNPYAFRPKJOSF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-104045
O=C(N1CCN(CC1)S(=O)(=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999985	358.479	KIVHCEQHUFQLGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104046
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCN1CCCS1(=O)=O	EMOLS-id_102001890	358.479	YMFVDTBJXLIBDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104047
c1(C(=O)NCCc2sc3c(CCC3)n2)cc(nn1C)c1cccs1	MCULE-8811243250,ZINC22_222220745,PC-id_91781181,EMOLS-id_55663263	358.481	SBGUNFIELXHOGY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-104048
c1(C(=O)NCCc2sc3c(CCC3)n2)[nH]nc(c2ccc(C)s2)c1	PC-id_70784557,MCULE-5890688776,EMOLS-id_44747414,ZINC22_92061766	358.481	ULISAXPVHTXLIK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-104049
c1(NC(=O)CC(c2ccsc2)n2cccc2)n(C)nc2CSCc12	STOCK7S-56767,EMOLS-id_93425689,MCULE-4550115985,PC-id_121240800	358.481	WEGSZTYBXZGGQZ-UHFFFAOYSA-N	00000010110100000001000010000000000000000000000000000000	25-01-104050
Cc1nc(c2ccc(CCNC(=O)c3n[nH]c4c3CCC4)s2)cs1	PC-id_146123264,ZINC22_119632448	358.481	NLFQIWHWFAHKQZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-104051
CCCn1nc(cc1CN(C(=O)c1nn2c(c1)CC(C2)N(C)C)CC)C	MCULE-3161042062	358.481	WMCIEUVEBWTTMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104052
CCCn1nc(cc1CN(C(=O)c1nn2c(c1)C[C@@H](C2)N(C)C)CC)C	EMOLS-id_316328245,MCULE-9188645215	358.481	WMCIEUVEBWTTMS-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104053
CCN1CCO[C@H]([C@@H]1c1ccnn1C)CNC(c1nn2c(c1)CCC2)C	MCULE-3788456161,EMOLS-id_316084065	358.481	ZEMPLOYMGOCGQL-SQJZIBIZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104054
CCN1CCO[C@H]([C@@H]1c1cncn1C)CNC(c1nn2c(c1)CCC2)C	MCULE-5548880119,EMOLS-id_316142428	358.481	MRQJKOGJCLQKGK-SQJZIBIZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104055
CCN1CCO[C@H]([C@@H]1c1nccn1C)CNC(c1nn2c(c1)CCC2)C	EMOLS-id_316142940,MCULE-6419441578	358.481	SLDJVMHDRJYNTL-CXRLMVSZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104056
CCN1CCO[C@@H](CN[C@H](C)c2cc3n(n2)CCC3)[C@@H]1c1ccnn1C	ZINC22_952852860	358.481	ZEMPLOYMGOCGQL-CCKFTAQKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104057
CCN1CCO[C@@H](CN[C@@H](C)c2cc3n(n2)CCC3)[C@@H]1c1ccnn1C	ZINC22_952852861	358.481	ZEMPLOYMGOCGQL-JVPBZIDWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104058
CCN1CCO[C@@H](CN[C@H](C)c2cc3n(n2)CCC3)[C@@H]1c1cncn1C	ZINC22_952852809	358.481	MRQJKOGJCLQKGK-CCKFTAQKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104059
CCN1CCO[C@@H](CN[C@@H](C)c2cc3n(n2)CCC3)[C@@H]1c1cncn1C	ZINC22_952852812	358.481	MRQJKOGJCLQKGK-JVPBZIDWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104060
CCN1CCO[C@@H](CN[C@H](C)c2cc3n(n2)CCC3)[C@@H]1c1nccn1C	ZINC22_1775959725	358.481	SLDJVMHDRJYNTL-FHLIZLRMSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104061
CCN1CCO[C@@H](CN[C@@H](C)c2cc3n(n2)CCC3)[C@@H]1c1nccn1C	ZINC22_1775959726	358.481	SLDJVMHDRJYNTL-JCGIZDLHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104062
Cn1nc2c(c1NC(=O)C[C@@H](c1ccsc1)n1cccc1)CSC2	ZINC22_263588609	358.481	WEGSZTYBXZGGQZ-HNNXBMFYSA-N	00000010110100000001000010000000000000000000000000000000	25-01-104063
Cn1nc2c(c1NC(=O)C[C@H](c1ccsc1)n1cccc1)CSC2	ZINC22_263588610	358.481	WEGSZTYBXZGGQZ-OAHLLOKOSA-N	00000010110100000001000010000000000000000000000000000000	25-01-104064
CCNC(=NCc1nnc2n1CCC2)N(Cc1cn(nc1C(C)C)C)C	PC-id_109840532	358.484	TXHJHHAPJNVWRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104065
CCNC(=NCc1nnc2n1CCC2)NC(Cc1c(C)nn(c1C)C)C	PC-id_109541120	358.484	XHROBUPBBUMFTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104066
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)n1	EMOLS-id_334660311,MCULE-8719908418	358.498	SQVQDNCYCAVGAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104067
CC(C)(O)CCc1cccc(c1)C(=O)NCCc1nc2CCCc2s1	EMOLS-id_68887569,MCULE-4581407809,ZINC22_299758878,PC-id_118769001	358.498	DYDJLYFSYAUEJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104068
CC(Oc1ccc(cc1)CNC(=O)c1sc2c(c1)CN(C2)C(C)C)C	PC-id_53171067,MCULE-9483440936,EMOLS-id_32995686	358.498	XRSWZAGQGHYCNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104069
O=C(NC1CCc2c1ccs2)CC[C@@H](N(C)C)Cc1ccc(cc1)O	SCHEMBL21214713,PC-id_139363013	358.498	UOLDSAOXHYCGQQ-NNJIEVJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104070
O=C(NC1CCc2c1csc2)CC[C@@H](N(C)C)Cc1ccc(cc1)O	SCHEMBL21214574,PC-id_139362877	358.498	AZXVJBKLAJHOKK-VTBWFHPJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104071
O=C(NC1CCc2c1scc2)CC[C@@H](N(C)C)Cc1ccc(cc1)O	SCHEMBL21214712,PC-id_139363012	358.498	GWAJLXAPHUUFOT-PYUWXLGESA-N	00000010100000110000000010000000000000000000000000000000	25-01-104072
s1c2CN(Cc2cc1C(=O)NCc1ccc(OCCC)cc1)C(C)C	PC-id_53171068	358.498	VCVXTVFRDFDLGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104073
c1(CN(C2CCCC2)C(=O)NCc2cccs2)c2CCCc2n(C)n1	EMOLS-id_50145364,PC-id_86266599,MCULE-6867183706	358.501	BOQNJKSEWZNEFJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104074
Cc1nc(c(s1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109842	358.501	BJILUOFJQKJUBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104075
CN(Cc1nccc(c1)OC1CCN(C1)Cc1sc2c(n1)CCC2)C	MCULE-9711369181,EMOLS-id_316093482	358.501	PMCSPRZAACBWGE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104076
CN(C)Cc1cc(O[C@H]2CCN(Cc3nc4c(s3)CCC4)C2)ccn1	ZINC22_886059658	358.501	PMCSPRZAACBWGE-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104077
CN(C)Cc1cc(O[C@@H]2CCN(Cc3nc4c(s3)CCC4)C2)ccn1	ZINC22_886059660	358.501	PMCSPRZAACBWGE-MRXNPFEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104078
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)N(Cc1cccs1)C1CCCC1	EMOLS-id_316329269,MCULE-7849644309	358.501	DOOFBYLLYRMZNN-INIZCTEOSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104079
CNC(=O)c1ccc([C@@H]2CCCCN2Cc2nc3c(s2)CCC3)n1C	ZINC22_328655755	358.501	YQGLRZLSFSNCPV-HNNXBMFYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-104080
CNC(=O)c1ccc([C@H]2CCCCN2Cc2nc3c(s2)CCC3)n1C	ZINC22_328655756	358.501	YQGLRZLSFSNCPV-OAHLLOKOSA-N	00000010110010000001100010000000000000000000000000000000	25-01-104081
CNC(=O)c1ccc(n1C)C1CCCCN1Cc1sc2c(n1)CCC2	EMOLS-id_316095530,MCULE-5962376089	358.501	YQGLRZLSFSNCPV-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-104082
N#Cc1c(NC(=O)C(N2CCN(CC2)C2CCC2)C)sc2c1CCC2	EMOLS-id_99221410	358.501	PBZXQAVLBHUZAQ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-104083
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)c1scc(n1)C(C)(C)C	EMOLS-id_99228637	358.501	IBALLQZAPGFVOP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104084
s1c(C2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_84930979	358.501	OWKKXNBSNPMPJV-UHFFFAOYSA-O	00000010100100000000100010000000000000000000000000000000	25-01-104085
s1c([C@H]2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_9119541	358.501	OWKKXNBSNPMPJV-AWEZNQCLSA-O	00000010100100000000100010000000000000000000000000000000	25-01-104086
s1c([C@@H]2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_9119543	358.501	OWKKXNBSNPMPJV-CQSZACIVSA-O	00000010100100000000100010000000000000000000000000000000	25-01-104087
c1(N2CCN(CC2)Cc2c3CCCc3[nH]n2)c(C)c(C)nc(SC)n1	ZINC22_2086861419,EMOLS-id_336470133,MCULE-8142490652	358.504	MULAAMOMZNFTRD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-104088
CCc1cc(N2CCN(Cc3n[nH]c4c3CCC4)CC2)nc(SC)n1	EMOLS-id_336470136,ZINC22_2086861328,MCULE-2852001982	358.504	FARXYJFVJPRIJU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-104089
CCNC(=NCc1ccc(cc1SC)C)NCc1nnc2n1CCC2	PC-id_109682583	358.504	QNNOGMLXVRYJAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104090
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)SC)C	PC-id_111299033	358.504	UBIJEDPMZKHETJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104091
CCNC(=NCc1nnc2n1CCC2)NCC(Sc1ccccc1)C	PC-id_111496060	358.504	BKPDVDWJBWBJBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104092
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)NC1CCCCCC1	PC-id_92110003	358.521	SHXSWXPUTBOYGU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-104093
s1c2c(CCC2)c(c1NC(=S)NCCCSC)C(=O)OCC	PC-id_8729385	358.542	FJUPGJFNXVLXOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104094
CCCCCCCCC1=NC(=O)c2c1c([nH]c2C(CC)(C)C)C(C)(C)C	PC-id_145552811	358.561	OSUJGKMIRIOENM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-104095
S1(=O)(=O)Cc2c(nn(CCCCCO[Si](C(C)(C)C)(C)C)c2)C1	PC-id_10832273	358.572	KFYXYPWIZHUVDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104096
S1(=O)(=O)Cc2n(ncc2C1)CCCCCO[Si](C(C)(C)C)(C)C	PC-id_10666137	358.572	AYIRMDIJRNIQER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104097
Brc1cc(C(=O)Nc2sc3CCCc3n2)c(Cl)nc1	PC-id_62001237	358.641	BARKFYXAXUSMJP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104098
BrCCCCN1C(=O)c2c(S1(=O)=O)cc(s2)Cl	PC-id_23049944,SCHEMBL10414444	358.66	GWPZGHNWXJGXPO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104099
Brc1cc(NC2CCc3sc(Cl)cc23)ccc1OC	PC-id_81252815	358.681	QLOQRSKBQGPCCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104100
Brc1cc(NC2CCc3sc(Cl)cc23)cc(OC)c1	PC-id_82857768	358.681	YREKHIOWFJJGOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104101
Brc1cc(NC2CCc3sc(Cl)cc23)c(OC)cc1	PC-id_81252497	358.681	DUNKWNDFXUDQIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104102
Brc1c(NC2CCc3sc(Cl)cc23)cc(OC)cc1	PC-id_81252712	358.681	XQMXDZVUKGNFOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104103
Brc1c(OC)cc(NC2CCc3sc(Cl)cc23)cc1	PC-id_82858368	358.681	VPQUYNLUWPRKPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104104
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2Cl)C(F)(F)F)n1	EMOLS-id_330986994,MCULE-7759346747	358.743	UHJYSHRPYPOIAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104105
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)C(F)(F)F)n1	EMOLS-id_330989554,MCULE-4910658966	358.743	KWJVGBMPACPMQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104106
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1Cl)C(F)(F)F	MCULE-4980107417,EMOLS-id_330965950	358.743	XTLZUWBVANYUMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104107
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)C(F)(F)F	EMOLS-id_330968510,MCULE-6641943124	358.743	ZBPGEWYILCWZRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104108
CCOC(=O)n1nc2c(c1NC(=O)COC)CN(C2(C)C)C(=O)Cl	PC-id_58015692,SCHEMBL1206353	358.777	WEEINZXEKMTZMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104109
CCOC(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)Cl)C(=O)OCC	PC-id_59333927,SCHEMBL598241	358.777	HVACDHBUMGZFDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104110
Clc1ccccc1OCc1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324886026	358.802	VIRKZJYLOMEESB-JYRVWZFOSA-N	00000000110000110001000010000000000000000000000000000000	25-01-104111
Clc1ccc(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1	EMOLS-id_324844287	358.802	FHRPGQGVTMSSML-JYRVWZFOSA-N	00000000110000110001000010000000000000000000000000000000	25-01-104112
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1ccccc1Cl	MCULE-5836638283	358.802	VIRKZJYLOMEESB-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-104113
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1ccc(Cl)cc1	MCULE-2937668195	358.802	FHRPGQGVTMSSML-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-104114
Fc1cccc(c1CN(S(=O)(=O)N1Cc2c(C1)cnn2C)C)Cl	EMOLS-id_318369403	358.819	QQKZWVXNKSPVCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104115
Fc1ccc(c(c1)CS(=O)(=O)NC(c1nnc2n1CCC2)C)Cl	EMOLS-id_318025898	358.819	AEBVNJTXGRGMOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104116
c1(C(=O)Nc2ccc(c(C(=O)N3CCCC3)c2)Cl)c2CCCc2[nH]n1	EMOLS-id_323257532,MCULE-6320741000	358.822	WCVWERLJGQIQAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104117
Clc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101197683	358.822	NVXKQQCJEIWLSR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104118
Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98010809	358.822	SSJWBFFUDRTQTL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104119
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536846	358.822	GTSNFYLHTTYEQM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104120
c1(NC(=O)CCC(=O)c2ccc(Cl)cc2)sc2c(CCC2)c1C#N	PC-id_108808157,MCULE-8148080024,EMOLS-id_182640149	358.842	CTMYIAFQQMVNLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104121
c1(C(=O)Nc2sc3c(CCC3)n2)cc(nn1C)c1ccc(cc1)Cl	MCULE-6865482498,EMOLS-id_323275989	358.845	QRPCOKUWANPPPJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104122
c1(C(=O)Nc2sc3c(CCC3)n2)cc(nn1C)c1cccc(Cl)c1	ZINC22_72405614,MCULE-8242343833,EMOLS-id_43041082,EMOLS-id_46567351,STOCK7S-29644,PC-id_60181033	358.845	UCRCUBYNEFKZPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104123
c1(C(=O)Nc2sc3c(CCC3)n2)n(C)nc(c2ccccc2Cl)c1	STOCK7S-28426,PC-id_60176710,MCULE-1338470439,EMOLS-id_43039003,EMOLS-id_46565253,ZINC22_72404469	358.845	FPHXZMUDPZLELA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104124
Cc1c(C(=O)Nc2nc3c(s2)CCC3)cnn1c1cccc(Cl)c1	ZINC22_24862765,EMOLS-id_31393374,PC-id_32180522,MCULE-2631549872	358.845	HENFUGBFSRSKCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104125
Clc1c(Cn2ncc(C(=O)Nc3sc4CCCc4n3)c2)cccc1	PC-id_33040908	358.845	WVPFCRXGIWLUFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104126
Clc1n(nc(c1C(=O)Nc1sc2CCCc2n1)C)c1ccccc1	PC-id_52498303	358.845	OGKCQCAUDPPMRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104127
O=C(NCc1nnc2n1CCC2)c1ccc(c2ccc(Cl)cc2)s1	MCULE-6382763977,EMOLS-id_30677270,PC-id_47016888,ZINC22_48279545	358.845	RNPZJCTWCXADAB-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-104128
CC1=NN2C=C[I-]C2=C1I	PC-id_148935263	358.855	ZURAARVOMFZICO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-104129
CC/C(=C/1CCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C)/C(=O)O	SCHEMBL2511583,PC-id_67434667	358.862	BIASWHVBMOOLSQ-NXVVXOECSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104130
CCOC(=O)/C=C/1CCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C	SCHEMBL12199306	358.862	YOUNZCRSZSHWCT-RVDMUPIBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104131
CCOC(=O)C=C1CCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C	SCHEMBL2511589,PC-id_58460166	358.862	YOUNZCRSZSHWCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104132
Clc1ccc(Cn2c3c(nc2C(C)C)CCC3=C(CC)C(=O)O)cc1	PC-id_67434668	358.862	BIASWHVBMOOLSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104133
CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316822145,ZINC22_646400273,MCULE-9720003255	358.865	DGWJPJXUERRESL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104134
Clc1ccc(cc1)C1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420424	358.865	OUZAXDLCOJNTFQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104135
Clc1cccc(c1)C1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421732	358.865	CKPQHJCFAHSYEK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104136
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_99709508	358.865	MZSCMRVUYWZKJP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104137
Clc1cccc(c1)C(=O)N1Cc2c(C1)n(nc2CN1CCCCC1)C	PC-id_97405339	358.865	VZXDIAUOSTVSFK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104138
Clc1ccc(c(c1)N1CCC(C1)CNC(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_323966705,PC-id_145885688,MCULE-2081742399	358.865	YYCVQZAKBCBCOS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104139
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccc(Cl)cc1)C2	PC-id_97519217,EMOLS-id_44369804,ZINC22_96259128	358.865	FQIWAMXRBNXICX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104140
O=C1C(CCCN1c1ccccc1Cl)NC(c1nn2c(c1)CCC2)C	EMOLS-id_318136208	358.865	AXLLMVUMVSLNNM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104141
O=C(c1n[nH]c2c1CCC2)N1CCCN(CC1)c1cccc(c1C)Cl	EMOLS-id_110478162	358.865	NTENPLQQEFNUTC-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-104142
O=C(NCCc1nnc2n1CCC2)C1(c2ccc(Cl)cc2)CCCC1	MCULE-7570456762,EMOLS-id_31935484,PC-id_51114971,ZINC22_42502833	358.865	OITMODXTQKOGEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104143
CN=C(NCc1nnc2n1CCC2)NCC1(CC1)c1cccc(c1)Cl	PC-id_111639768	358.868	QYAOHSXTOICDMK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-104144
CCCC(NC1CCc2c1cc(s2)Cl)CNC(=O)OC(C)(C)C	PC-id_107253598	358.926	MWXBPPJMPHMHLT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104145
CC(C(NC1CCc2c1cc(s2)Cl)CNC(=O)OC(C)(C)C)C	PC-id_107254084	358.926	OTROWJMMYHACOL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104146
CCCN(C(=O)OC(C)(C)C)CCNC1CCc2c1cc(s2)Cl	PC-id_107246115	358.926	GHFLGORYKLYHDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104147
CC(CN(C(=O)OC(C)(C)C)C)CNC1CCc2c1cc(s2)Cl	PC-id_107246656	358.926	WBOCSOHWYXKTDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104148
CC(C(NC(=O)OC(C)(C)C)CNC1CCc2c1cc(s2)Cl)C	PC-id_107248787	358.926	WHWLEUQETIOAJI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104149
CCN(C(=O)OC(C)(C)C)CCCNC1CCc2c1cc(s2)Cl	PC-id_107242675	358.926	HAULTYJWMICRCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104150
CC(N(C(=O)OC(C)(C)C)CCNC1CCc2c1cc(s2)Cl)C	PC-id_107245710	358.926	ZSJFLSGIVTXUOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104151
C1COCCN1CC2=CC=C(C=C2)OCC3=C4C(=CS3)C(=O)OC4=O	PC-id_152347391	359.083	WYRPPUBWASVLMT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104152
CCOC(C)N1C2=C(CCN2C(=O)OC(C)(C)C)C(=N1)Br	PC-id_148722648	359.084	NZJPWODZCNQSFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104153
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3F)O)SC4=CC=NN4	PC-id_164872140	359.085	LNJCFPYPABWNJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104154
C1C2=CN(N=C2CN1C(=O)CCO)S(=O)C3=CN(N=C3)CC(F)F	PC-id_164872294	359.086	ILPPIEHLCVJRNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104155
CCCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)SC	PC-id_152782005	359.119	YTUAEQAMZNWMOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104156
CCCCC1=CC(=CC=C1)C(=O)C2(CCN3C2=CC(=C3)Cl)C(=O)OC	PC-id_161337417	359.129	VMFJJKUXOPQCGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104157
CC(C)C(C(=O)NCC1=NN=C2N1CCC2)NC(=O)C3=CC=CC=C3F	PC-id_154760322,MCULE-3778974309,EMOLS-id_257877799	359.176	HMQCIEYRWXDJPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104158
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)C(F)(F)F	MCULE-8380514120,EMOLS-id_330965498	359.184	KKDKHPXYLRHCPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104159
c12C(C)CCc1nn(Cc1ccc(c(Br)c1)C(F)(F)F)c2	EMOLS-id_330998187,MCULE-4597240611	359.184	SVHWXPVZTZERHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104160
c12C(C)CCc1nn(Cc1ccc(cc1Br)C(F)(F)F)c2	EMOLS-id_330999722,MCULE-3406347047	359.184	HFIRSSZQWKROPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104161
CC1CCc2c1c(Br)nn2Cc1cccc(c1)C(F)(F)F	EMOLS-id_330965755,MCULE-2492299547	359.184	QMPHUWYCZGWOIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104162
CC1CCc2c1c(Br)nn2Cc1ccccc1C(F)(F)F	EMOLS-id_330967802,MCULE-9702731844	359.184	ARXZLHCTVFSQBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104163
CC1CCc2c1cnn2Cc1ccc(c(Br)c1)C(F)(F)F	MCULE-4835619144,EMOLS-id_331016429	359.184	YSPJKNYGMUWYKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104164
CC1CCc2c1cnn2Cc1ccc(cc1Br)C(F)(F)F	EMOLS-id_331017964,MCULE-6307708137	359.184	OGVBUPZCNNCKQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104165
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(Br)c12	EMOLS-id_331017126,MCULE-7655913602	359.184	QBBYRJTVGGHJFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104166
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(Br)c12	MCULE-1911581444,EMOLS-id_331017383	359.184	CUCIOCXHRYHVTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104167
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(Br)c12	MCULE-7438977311,EMOLS-id_331015335	359.184	WCJFXHHJTLBEBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104168
Brc1cc(F)c(C(=O)Nc2sc3CCCc3n2)c(F)c1	PC-id_80132933	359.189	LJYBXFQYMNKVQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104169
B(O)(O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328066503,MCULE-3986523390	359.205	XRTNNHWGHAXUIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104170
Br/C(=Cc1ccccc1)/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_44539,CoCoCo_44543	359.22	YOXLOCCSYKQCIW-LSZWCIJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104171
Br/C(=C/c1ccccc1)/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_44542,CoCoCo_44538	359.22	YOXLOCCSYKQCIW-ZTFBWAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104172
Br/C(=Cc1ccccc1)/C=N/NC(=O)c1n[nH]c2c1CCC2	BindingDB_PC-id_6870079,CoCoCo_44541,EMOLS-id_25782865,SPECS-id_AT-225/NB33026,CoCoCo_44537,TIMTEC576605,BAS-00338652	359.22	YOXLOCCSYKQCIW-QHSPSIEVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104173
BrC(=Cc1ccccc1)/C=N/NC(=O)c1n[nH]c2CCCc12	PC-id_6870079	359.22	YOXLOCCSYKQCIW-QTXNJFPPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104174
BrC(=Cc1ccccc1)C=NNC(=O)c1[nH]nc2CCCc12	BindingDB-id_92540,PC-id_1097667,MCULE-5245324832	359.221	YOXLOCCSYKQCIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104175
Br/C(=C/c1ccccc1)/C=NNC(=O)c1n[nH]c2c1CCC2	BindingDB_PC-id_1097666,PC-id_1097666	359.221	YOXLOCCSYKQCIW-AGEXOYPBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104176
Br/C(=C/c1ccccc1)/C=N/NC(=O)c1n[nH]c2CCCc12	CoCoCo_44544,PC-id_6870078,BindingDB_PC-id_6870078,CoCoCo_44540,EMOLS-id_25852550	359.221	YOXLOCCSYKQCIW-QLEPDINUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104177
Ic1ccc(o1)CNCc1sc2c(c1)CCC2	EMOLS-id_38138593,PC-id_61206662	359.226	NGGJAXHILBTLIO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-104178
Clc1c(C(NC(=O)C2COc3ncsc23)CO)ccc(Cl)c1	PC-id_78318483,SCHEMBL15903636	359.228	QNWQHNGAPGJLTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104179
Clc1n(c(C(=O)N2Cc3c(sc(c3)C(=O)CO)C2)cc1Cl)C	PC-id_58157641	359.228	XDWUFLNQRUNDPV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-104180
OCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncsc12	PC-id_78318482,BindingDB_PC-id_78318482,BindingDB-id_412891,SCHEMBL15903736	359.228	LPXUIBGYWUGOJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104181
OC[C@@H](NC(=O)C1COc2ncsc12)c1ccc(Cl)cc1Cl	BindingDB_PC-id_122684369,PC-id_122684369,BindingDB-id_412890,SCHEMBL18222095	359.228	QNWQHNGAPGJLTL-HCCKASOXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104182
BrC(c1sc2c(CCC2)c1)c1c(F)cc(OC)cc1F	PC-id_63434979	359.229	YEICYDWRDOSJNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104183
OC(c1sc2c(c1)CCC2)Cc1c(F)ccc(c1F)Br	PC-id_106274411	359.229	DMRXSIRKAJFBJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104184
CCOC(=O)c1c2c(CCC2)sc1Nc1nc(Cl)nc(Cl)n1	CoCoCo_3780148,PC-id_1536818,MCULE-7443509146,EMOLS-id_24175845	359.231	AJTKAQPFGJKJFH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-104185
NNC(c1c(F)ccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_106945643	359.232	NTSFOMWLMBFHAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104186
C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+](=O)[O-]	MCULE-8946931321,SCHEMBL5543023,CHEMBL218974,PC-id_6483572,EMOLS-id_168891561	359.257	GPWIINYCHXCGQH-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104187
FC(F)(F)Oc1ccc(COCC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	SCHEMBL1227058,PC-id_50913480	359.257	PVASYGHYWPVDDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104188
FC(F)(F)Oc1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_23081136,SCHEMBL5543029	359.257	GPWIINYCHXCGQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104189
Brc1ccc(cc1)S(=O)(=O)Nc1nc2CCCc2s1	MCULE-7871875225,PC-id_4118657,EMOLS-id_181477861	359.262	XONXKGPERAYANY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104190
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)ccc1	PC-id_60682825	359.262	GHOCGMAYZIEZIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104191
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)cccc1	PC-id_60682844	359.262	RDSVASCTPCREOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104192
OC(=O)C1CCc2c1nc(s2)NCc1ccc(s1)Br	PC-id_113395807	359.262	XIBQGPJRNFSLCF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104193
OC(=O)C1CCc2c1nc(s2)NCc1sccc1Br	PC-id_104289098	359.262	UOMQQRIACSKIKK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104194
OC(=O)C1CCc2c1nc(s2)NCc1scc(c1)Br	PC-id_113395808	359.262	YZXRTBIPYHRZNQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104195
COC(=O)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccc(cc1)F	PC-id_135431203	359.269	BVXVGHQYSMFSMP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-104196
COC(=O)C(=O)C(C1=Nc2n(C1=O)c(nn2)N)C(=O)c1ccc(cc1)F	SPECS-id_AT-225/NB51190,PC-id_343304	359.269	NXNFHYPVQAYBOE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-104197
COC(=O)C(=O)[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccc(cc1)F	PC-id_136791189	359.269	BVXVGHQYSMFSMP-QMMMGPOBSA-N	00000011100000110001000010000000000000000000000000000000	25-01-104198
COC(=O)C(=O)[C@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccc(cc1)F	PC-id_136791190	359.269	BVXVGHQYSMFSMP-MRVPVSSYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-104199
COC(=O)C(=O)[C@@H](C(=O)c1ccc(F)cc1)C1=Nc2nnc(N)n2C1=O	NSC382716,ZINC22_104247211,CoCoCo_5636522,LI_194201	359.269	NXNFHYPVQAYBOE-MRVPVSSYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-104200
COC(=O)C(=O)[C@H](C(=O)c1ccc(F)cc1)C1=Nc2nnc(N)n2C1=O	ZINC22_104247207,CoCoCo_5636523	359.269	NXNFHYPVQAYBOE-QMMMGPOBSA-N	00000011100000110001000010000000000000000000000000000000	25-01-104201
COc1ccc(cc1F)C(C(F)(F)F)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_316794592,MCULE-8099960667	359.276	NOYRAHMRFONWGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104202
COc1ccc([C@@H](NC(=O)c2cc3n(n2)CCO3)C(F)(F)F)cc1F	ZINC22_685939933	359.276	NOYRAHMRFONWGG-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104203
COc1ccc([C@H](NC(=O)c2cc3n(n2)CCO3)C(F)(F)F)cc1F	ZINC22_685939934	359.276	NOYRAHMRFONWGG-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104204
Brc1cc2c(s1)C(N(C2=O)CCN1CCOCC1)(C)C	SCHEMBL17837163,PC-id_121408796	359.282	RHENBAINPHPTMJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104205
BrC(c1sc2c(CCC2)c1)c1cn(nc1)c1ccccc1	PC-id_63441184	359.283	HXOXDCXTUYEYLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104206
O1C(Cn2c1nc([N+](=O)[O-])c2)(CCn1nc(oc1=O)c1nccnc1)C	PC-id_23081167,SCHEMBL5544134	359.297	FFZYAMMZHSMTFY-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-104207
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331014580,MCULE-5335599671	359.303	MMEIJRSHSYLMHW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-104208
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1CBr	MCULE-3265421313,EMOLS-id_331016369	359.303	ACKXSFXYSOGFHI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-104209
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1CBr	MCULE-7917779041,EMOLS-id_331016629	359.303	CKAJAYSLTDLWRQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-104210
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1Br	EMOLS-id_331018400,MCULE-6481044029	359.303	QIXDVFKVJHBBRT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-104211
CC(CN1CCOCC1)CNC1CCc2c1cc(s2)Br	EMOLS-id_318098113	359.325	CGTGZLAVZZCQOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104212
n12ncnc1sc(=CN1C(C(=O)O)CC(=N1)c1ccc(cc1)F)c2=O	MCULE-3315331575	359.335	PCCQIUNRVOOBHA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-104213
OC(=O)C1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(F)cc1	EMOLS-id_190367017,PC-id_117588153	359.335	PCCQIUNRVOOBHA-SDQBBNPISA-N	00000011100000110001100010000000000000000000000000000000	25-01-104214
O=C(O)[C@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(F)cc1	ZINC22_256028030	359.335	PCCQIUNRVOOBHA-MDUDVEDUSA-N	00000011100000110001100010000000000000000000000000000000	25-01-104215
O=C(O)[C@@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(F)cc1	ZINC22_256028031	359.335	PCCQIUNRVOOBHA-RMCZBGCRSA-N	00000011100000110001100010000000000000000000000000000000	25-01-104216
O=C(NCc1n2CCCc2nn1)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_52375798	359.337	UNOQGMHAKIENKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104217
N=c1[nH]nc2nc(CC(=O)c3ccncc3)/c(=C/C(=O)c3ccncc3)/n12	LI_194211,NSC382739	359.342	JKVHOYCIRPMKCE-UVTDQMKNSA-N	00000000100000101001000010000000000000000000000000000000	25-01-104218
Nc1nnc2nc(CC(=O)c3ccccn3)/c(=C/C(=O)c3ccccn3)/n12	NSC382740,ZINC22_31772531,LI_194212	359.342	DCMXWVXFRHEIJE-UVTDQMKNSA-N	00000000100000101001000010000000000000000000000000000000	25-01-104219
Nc1nnc2nc(CC(=O)c3ccccn3)/c(=CC(=O)c3ccccn3)/n12	ZINC22_17142980,PC-id_92529502,CoCoCo_5636585,CoCoCo_5636586	359.342	DCMXWVXFRHEIJE-GXDHUFHOSA-N	00000000100000101001000010000000000000000000000000000000	25-01-104220
O=C(c1ccncc1)Cc1nc2n(/c/1=C/C(=O)c1ccncc1)c(nn2)N	SPECS-id_AT-225/JK09531,CoCoCo_5636583,SCHEMBL15452754,PC-id_51059434,CoCoCo_5636584	359.342	JKVHOYCIRPMKCE-GXDHUFHOSA-N	00000000100000101001000010000000000000000000000000000000	25-01-104221
O=C(Cc1nc2n(c1=CC(=O)c1ccncc1)c(nn2)N)c1ccncc1	PC-id_343325	359.342	JKVHOYCIRPMKCE-UHFFFAOYSA-N	00000000100000101001000010000000000000000000000000000000	25-01-104222
O=C(Cc1nc2n(c1=CC(=O)c1ncccc1)c(nn2)N)c1ncccc1	PC-id_343326	359.342	DCMXWVXFRHEIJE-UHFFFAOYSA-N	00000000100000101001000010000000000000000000000000000000	25-01-104223
CC[C@H](C(=O)NC/C=C/C(=O)OC)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_1875311968	359.344	QHHIWIGYDRUKFG-AYLMVEPYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104224
CC[C@@H](C(=O)NC/C=C/C(=O)OC)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_1875311969	359.344	QHHIWIGYDRUKFG-BWNDKRECSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104225
CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)NCC=CC(=O)OC	MCULE-7811622916,EMOLS-id_324042055	359.344	QHHIWIGYDRUKFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104226
CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)NC/C=C/C(=O)OC	PC-id_146099369	359.344	QHHIWIGYDRUKFG-VMPITWQZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104227
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1ccncc1F	MCULE-9102164832,EMOLS-id_207863311	359.355	JLHJPLOHAXRXHU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-104228
Fc1cc(ccc1C(=O)N1CCOCC1)NC(=O)N1CCn2c1ncc2	EMOLS-id_320051180,MCULE-9728579335	359.355	MWJXEWBFVASZMS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104229
Fc1c(NC(=O)C2NCc3n(ncc23)C)ccc(N2CCOCC2=O)c1	PC-id_78039710	359.355	GZSNVCNMTJMLNS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104230
Fc1c(NC(=O)[C@@H]2NCc3n(ncc23)C)ccc(N2CCOCC2=O)c1	SCHEMBL14623848,PC-id_71219952	359.355	GZSNVCNMTJMLNS-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104231
n12nc(nc1sc(=Cc1ccc(cc1OC(=O)C)OC(=O)C)c2=O)C	MCULE-1273541900	359.357	AAOODLDPQKBDMW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104232
CC1(Cn2cc(nc2O1)[N+](=O)[O-])C(c1ccccc1)Sc1n[nH]nn1	PC-id_87852900,SCHEMBL5547119	359.363	DSFVIUJIWLCKMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104233
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CSc1nnnn1c1ccccc1	PC-id_23081582,SCHEMBL5547115	359.363	XLOGFMWVZSVKJB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104234
CC1CC(c2n1ccn2)NS(=O)(=O)Cc1ccccc1C(F)(F)F	EMOLS-id_318170595	359.367	ZNWGDKZSNCMYIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104235
s1c2c(CCC2=O)c(NS(=O)(=O)C)c1Oc1cc(F)c(F)cc1	PC-id_16639319	359.368	DCGNOVBIALZVCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104236
s1c2c(CCC2=O)c(Oc2c(F)cc(F)cc2)c1NS(=O)(=O)C	PC-id_15364032	359.368	HVVQUOJQYYMTFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104237
Cc1c(nc2n1CC(O2)COc1ccc(cc1)C1(CC(C1)(F)F)C)C#N	PC-id_86341969	359.37	MOBIRCKUMLNOAI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-104238
N#Cc1c(NC(=O)C2CCN(CC2)CC(F)(F)F)nc2n1CCS2	EMOLS-id_99351274	359.37	UPYCLDPLQYHIRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104239
CN=C(NCc1nnc2n1CCC2)NCc1scc(n1)C(F)(F)F	PC-id_111615465	359.373	GMDRHWGZIVLLEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104240
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C(=O)c1ccccc1	PC-id_85749624	359.375	RGHACZJBIHRUGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104241
OC(=O)C1CCn2c1ccc2C(=O)c1cc(ccc1)C(=O)c1ccccc1	PC-id_85749630	359.375	DFRIFESZPZJGSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104242
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(N)cc(F)cc1)C#N	PC-id_8468612	359.375	AAUXGRPIOCNFNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104243
COc1cc(cc(c1)OC)CN(C(=O)c1cnn2c1CCC2)CC(=O)O	EMOLS-id_318371970	359.376	YXDKIYMNFXJDEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104244
s1c2c(CCC2)c(c1N=Cc1c([O-])c([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_1584496	359.376	DLXCWHRBVRNYAP-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-104245
c12NC(=O)C(CC(=O)Nc3ccccc3C)n1nc(COCCOC)n2	PC-id_135635961,EMOLS-id_17101979,STOCK6S-48094,MCULE-2710428166	359.38	JRHBGFXAJONZKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104246
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(nc2)OC)n1	MCULE-6827802785	359.38	MJHHWMBOMOYESX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104247
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(nc2)OC)n1	MCULE-9537191179,EMOLS-id_316336435	359.38	MJHHWMBOMOYESX-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104248
CC1(Cn2cc(nc2O1)[N+](=O)[O-])C(N1CCNCC1)Oc1ccccc1	PC-id_91527216	359.38	KVPDJNJURINURF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104249
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(c(c1)OC)OC	SCHEMBL2919089,PC-id_68440822	359.38	JNVNNAGIEAOUSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104250
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cc(OC)ccc1OC	PC-id_68441061,SCHEMBL2919786	359.38	RVQPQYHISLVSLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104251
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1c(OC)cccc1OC	PC-id_68442767,SCHEMBL2924289	359.38	NJQPACUKJFQRBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104252
CCNC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1cc(OC)cc(c1)OC	SCHEMBL2918253,PC-id_68440571	359.38	KSVBODJLUDDXGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104253
COCc1c(C)onc1C(=O)N1Cc2c(C1)c(nn2C)C(=O)NC1CC1	MCULE-8560441608,EMOLS-id_207863107	359.38	RUWDIXSOYKUYTR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104254
COCCOCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1C)C(=O)N2	ZINC22_13691826,PC-id_135925040	359.38	JRHBGFXAJONZKN-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104255
COCCOCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1C)C(=O)N2	ZINC22_13691827,PC-id_135925041	359.38	JRHBGFXAJONZKN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104256
O1C(Cn2c1nc([N+](=O)[O-])c2)COc1ccc(CN2CCNCC2)cc1	PC-id_68653497,SCHEMBL3466051	359.38	AGOOJYSMWJBQKQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104257
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCNCC2)cc1)C	PC-id_23081132,SCHEMBL3466816	359.38	SUHGVJHTQWNWQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104258
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCNCC2)cc1)C	SCHEMBL14562855,PC-id_69480574	359.38	SUHGVJHTQWNWQS-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104259
O=c1n2CCCc2c(n1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])O	PC-id_53983286,BindingDB_PC-id_53983286	359.38	JZSYHNVMFOIPBS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104260
s1c2c(CCC2)c(c1NC(=O)COc1c(cccc1)C(=O)N)C(=O)N	PC-id_38858669	359.4	MKSIGWCLEXLBTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104321
O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)CN1C(=O)CCC1=O	EMOLS-id_98240311	359.38	LWGCANKTYXBKSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104261
Cn1ccc(n1)C(=O)NCc1nnc2n1C(CC2)C(=O)N1CCOCC1	PC-id_134789323	359.383	NXHSYRLONKPLFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104262
C[C@@H]1C[C@@H](NC(=O)c2cnn3c2CCC3)CN1C(=O)Cn1nnc(=N)[nH]1	ZINC22_1875407488	359.386	AXNKJECCJHIWGZ-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104263
C[C@H]1C[C@H](NC(=O)c2cnn3c2CCC3)CN1C(=O)Cn1nnc(=N)[nH]1	ZINC22_1875407489	359.386	AXNKJECCJHIWGZ-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104264
C[C@H]1C[C@@H](NC(=O)c2cnn3c2CCC3)CN1C(=O)Cn1nnc(=N)[nH]1	ZINC22_1875407490	359.386	AXNKJECCJHIWGZ-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104265
C[C@@H]1C[C@H](NC(=O)c2cnn3c2CCC3)CN1C(=O)Cn1nnc(=N)[nH]1	ZINC22_1875407491	359.386	AXNKJECCJHIWGZ-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104266
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)OCC)CC(F)(F)F	MCULE-3953876816,EMOLS-id_324345454	359.387	UDBKDYNCKZNNDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104267
NCCc1nnc2n1[nH]c(c2NC1(N)C(=Nn2c1nnc2CCO)C)C	SCHEMBL7670129,PC-id_70158435	359.39	JJJSWMDTHXPMNT-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-104268
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)CC(F)(F)F	PC-id_111020145	359.393	MFUMATSEQSQFOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104269
CN=C(N1CCN(CC1)C(C(F)(F)F)C)NCc1nnc2n1CCC2	PC-id_109376141	359.393	FWYNTWLCWKUADD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104270
Cn1nc(C(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)c2c1CCC2	ZINC22_585275255	359.395	BEXSYAVPFMXOLS-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-104271
Cn1nc(C(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)c2c1CCC2	ZINC22_585275256	359.395	BEXSYAVPFMXOLS-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104272
Cn1nc(C(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)c2c1CCC2	ZINC22_585275514	359.395	FNEHQPVPEGAMOK-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-104273
Cn1nc(C(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)c2c1CCC2	ZINC22_585275516	359.395	FNEHQPVPEGAMOK-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104274
Cn1nc(C(=O)N2CCC(O)(COc3ccc(F)cc3)C2)c2CCCc12	MCULE-1757988759,LAS-52260231,EMOLS-id_171924928	359.395	FNEHQPVPEGAMOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104275
COc1c(cc(cc1)C(C1CC(C1)O)NC(=O)c1n[nH]c2c1CCC2)F	PC-id_91764175	359.395	WOKLNMJQWJASCF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-104276
COc1ccc(cc1F)C([C@@H]1C[C@@H](C1)O)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_55614453	359.395	WOKLNMJQWJASCF-GTKHYJCHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-104277
COc1ccc(cc1F)[C@H](C1CC(C1)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_100021922	359.395	WOKLNMJQWJASCF-VCMHEYGDSA-N	00001010100000110001000010000000000000000000000000000000	25-01-104278
COc1ccc(cc1F)[C@@H](C1CC(C1)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_100021924	359.395	WOKLNMJQWJASCF-MFGLSYLJSA-N	00001010100000110001000010000000000000000000000000000000	25-01-104279
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N)cc1)C(=O)N	PC-id_7614630	359.4	DXLNMMCTDPCXJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104322
COc1cccc(C2(NC(=O)c3cc4n(n3)CCC4)CCOCC2)c1F	ZINC22_566719911,MCULE-3035894819,EMOLS-id_316155939	359.395	XLBXCQHTLWOSPO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104280
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccc1)C(=O)OC	MCULE-8293080856,BAS-05159740,EMOLS-id_1463289,PC-id_3151750	359.396	XAVQUCWCUOAKIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104281
c1(NC(=O)c2ccccc2C(=O)O)sc2c(CCC2)c1C(=O)OCC	MCULE-7256522726,CoCoCo_345259,SPECS-id_AE-848/36648052,ZINC22_798276,ChEMBL-DNDi_CHEMBL3237-0463,EMOLS-id_1476421,ChEMBL-DNDi_CHEMBL1725474,STOCK1S-79302,PC-id_1082723,BAS-06104350	359.396	BLKLNQZZOHEZPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104282
c1(NC(=O)c2ccccc2OC(=O)C)sc2c(CCC2)c1C(=O)OC	MCULE-7175626010,PC-id_18883693	359.396	NEWAXOJHLZEQOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104283
C=Cc1ccc(cc1)C(=O)c1n2CCC(c2cc1S(=O)(=O)C)C(=O)O	PC-id_20235075,SCHEMBL10815281	359.396	OXQHWUWPGJZCEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104284
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)O	SCHEMBL10818418,PC-id_70450770	359.396	IRWKIPLGUHHYBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104285
C=CCS(=O)(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL11497318,PC-id_70597864	359.396	QAAUAMVFEWQIBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104286
CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(=O)O)sc2CCCc12	EMOLS-id_327960738,MCULE-3670373969	359.396	XWMHQOIVTOBBBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104287
CCOC(=O)c1c(NC(=O)c2cccc(c2)C(=O)O)sc2CCCc12	MCULE-9529689366,EMOLS-id_328006122	359.396	XUJVAWLFXFSEMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104288
COC(=O)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	EMOLS-id_13495031,ZINC22_4581584,PC-id_7291972,CoCoCo_2840975,MCULE-5618318179	359.396	JFXPBFCSVSVJSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104289
COC(=O)c1c(NC(=O)c2ccccc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_331938,PC-id_1078102,ZINC22_790648	359.396	XAVQUCWCUOAKIA-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-104290
COC(=O)c1c(NC(=O)c2ccccc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1078101,CoCoCo_331939,ZINC22_790647	359.396	XAVQUCWCUOAKIA-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104291
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C(=O)OC	PC-id_7623873	359.396	GWWRNQVDHRIBNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104292
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)c1ccc(OC)cc1	PC-id_16505621	359.396	AVVWVTABFNAQKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104293
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)c1c(OC)cccc1	PC-id_45637938	359.396	XZGHAZMDHZOTES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104294
s1c2c(CCC2)c(c1NC(=O)c1cc(ccc1)C(=O)OC)C(=O)OC	PC-id_17175198	359.396	UKNFZDIXFGIHPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104295
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_3255759	359.396	JFQDEQBUQGLRQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104296
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C=O)C(=O)OC	PC-id_41750559	359.396	VFJTWNXWLGSKDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104297
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccccc1)C(=O)OC	PC-id_24364103	359.396	WTYNQXZPAOTLQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104298
S1[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(=O)c1ccccc1	PC-id_11210573	359.396	USNHNTISCYGRCH-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104299
S1C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(=O)c1ccccc1	PC-id_72752267	359.396	USNHNTISCYGRCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104300
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1	PC-id_23645990,BindingDB-id_21795,CHEMBL204294,BindingDB_PC-id_23645990	359.398	JRLCFYYHBUWFDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104301
OC1CN(C(C1)c1cccc(c1)F)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318287011	359.398	SUNNGMOKKHQCIN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104302
C1CCOC(C1)ONC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	PC-id_86584528	359.4	XWLJMRZSSMMVKZ-UHFFFAOYSA-N	00000010110010000000000010000000000000000000000000000000	25-01-104303
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328540,MCULE-3479684397	359.4	KNBWBRMIKANKLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104304
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334334161,MCULE-5306370801	359.4	KTCXXBJCKHQHKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104305
c1(NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NC	MCULE-9550187239,EMOLS-id_334329565	359.4	PNWYMXTURKBJSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104306
c1(NC(=O)C(=O)NCc2ccccn2)sc2c(CCC2)c1C(=O)OC	CoCoCo_1021232,MCULE-8155009762,EMOLS-id_2530248,ZINC22_4857923,STOCK6S-08312,PC-id_2989921	359.4	HCXCOUCYFKJGAM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104307
c1(NC(=O)C(=O)NCc2cccnc2)c(C(=O)OC)c2c(s1)CCC2	CoCoCo_579971,MCULE-1222101685,TIMTEC265591,EMOLS-id_2525717,ZINC22_4838121,STOCK6S-13925,PC-id_2985178	359.4	KLWCVCVEYYGAOI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104308
c1(NC(=O)C(=O)NCc2ccncc2)c(C(=O)OC)c2c(s1)CCC2	EMOLS-id_2530020,TIMTEC209831,STOCK6S-10536,ZINC22_4857556,PC-id_2989681,CoCoCo_1020912,MCULE-5078514880	359.4	ICANMGIKEWJSFJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104309
c1(NC(=O)C(=O)NNc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-9699494100,STOCK6S-18989,PC-id_8073668,EMOLS-id_4753451	359.4	XHWRCFGKVWXVSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104310
Cc1ccc(C(=O)N2Cc3nc(COCc4csc(C)n4)oc3C2)o1	EMOLS-id_313726417,ZINC22_2055713638	359.4	PZHUFLPBCOHDCZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-104311
CC(C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)Oc1ccc(cc1)N=O	SCHEMBL13183040,PC-id_89031919	359.4	WCFUXITWPHMXPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104312
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)OC(=O)c1ccncc1	EMOLS-id_11738539,PC-id_16311043,MCULE-4829864075	359.4	JGZDOFXDTRUWBB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104313
C[C@H](OC(=O)c1ccncc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_8328420,PC-id_9453279,CoCoCo_4170385	359.4	JGZDOFXDTRUWBB-VIFPVBQESA-N	00000010100000101000000010000000000000000000000000000000	25-01-104314
C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_8328421,PC-id_9453280,CoCoCo_4170384	359.4	JGZDOFXDTRUWBB-SECBINFHSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104315
COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1onc2c1CSC2	PC-id_93991330	359.4	RTYCAWBCJBZVMC-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104316
COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1onc2c1CSC2	PC-id_93991331	359.4	RTYCAWBCJBZVMC-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-104317
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)CCC	MCULE-1306087501	359.4	PJRWRXNPBGBSGS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104318
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)CC	MCULE-9059433877	359.4	QEFSOPFZYWZBBM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104319
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)NOC1CCCCO1	SCHEMBL7564812	359.4	XWLJMRZSSMMVKZ-FLIBITNWSA-N	00000010110010000000000010000000000000000000000000000000	25-01-104320
S1Cc2c(onc2C1)NC(=O)C1CN(C(=O)C1)c1ccc(OC)cc1	PC-id_49719092	359.4	RTYCAWBCJBZVMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104323
S1Cc2c(onc2C1)NC(=O)C1CN(C(=O)C1)c1cc(OC)ccc1	PC-id_49719091	359.4	UFWJFIVGCGQUPR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104324
c1(c2ccco2)noc(CCCC(=O)NCc2cn3c(SCC3)n2)n1	MCULE-4844211733,ZINC22_55369372,EMOLS-id_32228914,PC-id_50977967	359.403	DCNGBGPOHKUREE-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-104325
c1(C#N)c2CCCc2sc1NC(=O)CCn1nc(C)c(N(=O)=O)c1C	TIMTEC234679,ZINC22_2782329,EMOLS-id_4037137,MCULE-5605722993,PC-id_19575456	359.403	JDRMTSXKYKIHIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104326
c1(NC(=O)CCCc2onc(c3ccco3)n2)n(C)nc2CSCc12	PC-id_134700484,MCULE-9870233766,ZINC22_1529119130,EMOLS-id_316189885	359.403	CAEKNCCWKKBQKV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-104327
c1(nnc2SCCn12)NC(=O)C1CC(=O)N(c2ccc(cc2)OC)C1	MCULE-1466096997,PC-id_44007662,EMOLS-id_22719450	359.403	ZEZKTIDCTREOKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104328
c1(nnc2SCCn12)NC(=O)C1CC(=O)N(c2cccc(OC)c2)C1	PC-id_44007661,EMOLS-id_22719448,MCULE-9102958374	359.403	ZLLDRLZRVLIALZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104329
c1(N(=O)=O)cc(n(CCCC(=O)Nc2sc3c(CCC3)c2C#N)n1)C	PC-id_3658480,CoCoCo_2039189,MCULE-4516286943,TIMTEC440076,ZINC22_3896258,EMOLS-id_2588823	359.403	RYSJRMCVEMVPMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104330
COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc2n1CCS2	PC-id_27443342,CoCoCo_2590554	359.403	ZEZKTIDCTREOKN-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-104331
COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1nnc2n1CCS2	PC-id_27443343,CoCoCo_2590555	359.403	ZEZKTIDCTREOKN-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104332
COc1cccc(N2C[C@H](C(=O)Nc3nnc4n3CCS4)CC2=O)c1	CoCoCo_2590553,ZINC22_16960379,PC-id_27444887	359.403	ZLLDRLZRVLIALZ-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104333
COc1cccc(N2C[C@@H](C(=O)Nc3nnc4n3CCS4)CC2=O)c1	PC-id_27444886,CoCoCo_2590552,ZINC22_16960377	359.403	ZLLDRLZRVLIALZ-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-104334
O=C1CCC(=NN1)c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970809	359.403	YAFKRIDSRTUYKQ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-104335
S1CCn2c(NC(=O)C3CN(C(=O)C3)c3c(OC)cccc3)nnc12	PC-id_44007660	359.403	NWRIQCNQXSYYAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104336
Cc1ccc(n2nc(C)cc2NS(=O)(=O)c2cnc3n2CCC3)nn1	PC-id_75478968,ZINC22_95946303,EMOLS-id_48840833,MCULE-9842371308	359.406	PIKVPONDTPVZBJ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-104337
Cc1cc(C)nc(n1)n1nccc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705292	359.406	XZVXNENJSRFRHI-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-104338
C[NH+](C[C@H]1CCCCN1C(=O)Cn1nc(c2c1CCC2)C(F)(F)F)C	PC-id_51598372,GD-id_ZINC19581941	359.41	OEIBYKTXNDDOBI-GFCCVEGCSA-O	00000010100010000001000010000000000000000000000000000000	25-01-104339
FC(F)(F)c1nn(c2c1CCC2)CC(=O)N1C(CCCC1)C[NH+](C)C	PC-id_75682295	359.41	OEIBYKTXNDDOBI-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-104340
FC(F)(F)c1nn(c2c1CCC2)CC(=O)N1[C@@H](CCCC1)C[NH+](C)C	PC-id_51598369	359.41	OEIBYKTXNDDOBI-LBPRGKRZSA-O	00000010100010000001000010000000000000000000000000000000	25-01-104341
Fc1cccc(c1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)F	PC-id_92109779	359.413	FRELXMCDXAPSDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104342
Fc1ccc(c(c1)F)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109841	359.413	JEZJONOBSYNOSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104343
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(c(c1)F)F	PC-id_92109780	359.413	GNOAMSWQJDCRAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104344
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	PC-id_4105258,MCULE-8574585671	359.415	VRZIFEQLDNBIJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104345
CCOC(=O)c1c(NC(=O)/C=C/c2cccc(F)c2)sc2CCCc12	EMOLS-id_328036799	359.415	SZMPGTMLPPSDGN-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104346
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCC2	ZINC22_1930512,EMOLS-id_327851389,PC-id_1656795	359.415	VRZIFEQLDNBIJC-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104347
CC(=O)Oc1sc2c(c1)CN(C2)C(c1ccccc1F)C(=O)C1CC1	SCHEMBL12614047,PC-id_58280415	359.415	JXQJMUFLOKXRIS-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-104348
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1cccc(F)c1	MCULE-4946594618	359.415	SZMPGTMLPPSDGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104349
C1(CC(=O)N(C)C1c1cccc(F)c1)C(=O)Nc1sc2c(CCC2)n1	MCULE-8512006670,EMOLS-id_323394484	359.418	GIXIMGQWOMRQLG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104350
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(Cc2ccccc2F)C1	MCULE-3711889857,EMOLS-id_323377331	359.418	WBYMOGCCIQSUAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104351
Cc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)CCC4)CC2=O)cc1F	CoCoCo_4632801,ZINC22_25769380,PC-id_33041087	359.418	BZLZVDRSMVRONB-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-104352
Cc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)CCC4)CC2=O)cc1F	ZINC22_25769381,CoCoCo_4632800,PC-id_33041088	359.418	BZLZVDRSMVRONB-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104353
CCc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_67726844,SCHEMBL8924629	359.418	IMSPHVRDJAPYKO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-104354
CCCC1C(=O)Oc2c1n(Cc1ccccc1)c(c2)C(=O)c1ccccc1	SCHEMBL7682039,PC-id_53835943	359.418	GFQWXUFTRXVTEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104355
C#CCC(CC#C)COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_140930718	359.418	LCIVGXPYORAQFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104356
C[C@@H](NC(=O)[C@@H]1CC(=NO1)c1cccc(F)c1)c1nc2c(s1)CCC2	ZINC22_1875265839	359.418	BEFXQXVMJOJDDB-BMIGLBTASA-N	00000011100000110001100010000000000000000000000000000000	25-01-104357
C[C@H](NC(=O)[C@@H]1CC(=NO1)c1cccc(F)c1)c1nc2c(s1)CCC2	ZINC22_1875265840	359.418	BEFXQXVMJOJDDB-BONVTDFDSA-N	00000011100000110001100010000000000000000000000000000000	25-01-104358
C[C@@H](NC(=O)[C@H]1CC(=NO1)c1cccc(F)c1)c1nc2c(s1)CCC2	ZINC22_1875265841	359.418	BEFXQXVMJOJDDB-MEBBXXQBSA-N	00000011100000110001100010000000000000000000000000000000	25-01-104359
C[C@H](NC(=O)[C@H]1CC(=NO1)c1cccc(F)c1)c1nc2c(s1)CCC2	ZINC22_1875265842	359.418	BEFXQXVMJOJDDB-ZUZCIYMTSA-N	00000011100000110001100010000000000000000000000000000000	25-01-104360
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)c1ccc(cc1)CO	SCHEMBL1004921	359.418	UUHUXRWACRPHDU-XDHOZWIPSA-N	00000010100000110000100010000000000000000000000000000000	25-01-104361
O1c2c(n(c(c2)C(=O)c2cc(c(cc2)C)C)Cc2ccccc2)C(C1=O)C	SCHEMBL7676766,PC-id_53648027	359.418	AKRYTACNFJPRJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104362
O=C(C1CN(C(=O)C1)c1ccc(c(c1)F)C)Nc1sc2c(n1)CCC2	EMOLS-id_27389081,PC-id_42940115,MCULE-4218467562	359.418	BZLZVDRSMVRONB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104363
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)CCc1ccccc1	PC-id_139746965	359.418	DNSXAVUUOKCTCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104364
O(C(=O)c1[nH]c2CCC(=Cc3cc(c4ccc(cc4)CO)ccc3)c2c1)C	PC-id_66873815	359.418	UUHUXRWACRPHDU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-104365
s1c2CCCc2nc1NC(=O)C1CN(C(=O)C1)c1c(F)cc(cc1)C	PC-id_46409201	359.418	XPBAMRJURBGWLM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104366
s1c2CCC(C(=O)N3CCCC3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947178	359.418	TUQHQTUPKSEXEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104367
C=C/C=C(/n1ncc2c1CN(C2)C(=O)OC(C)(C)C)C=C/CC(=O)OC	PC-id_145369842	359.419	KYPSSVRQMYOEND-CXVZIJRBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104368
CCOC(=O)CCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109329	359.419	HCYCHFAEJZAKET-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-104369
CC(=O)OC(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)(C)C	PC-id_92109538	359.419	GXNJCLRIPWJELI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-104370
s1c2c(CCC2)c(c1NC(=O)N(Cc1ccccc1)CCO)C(=O)[O-]	PC-id_8034401	359.419	KKPSNNODLSBTBT-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-104371
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)N	EMOLS-id_328219515,MCULE-5245932536	359.421	HVAMCNFZDZHDRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104372
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1C(=O)N	MCULE-2616154504,EMOLS-id_328216696	359.421	HDDZYMRJUSRIDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104373
O=c1n2n(C(=C)C(C2=C)(Cc2ccccc2)Cc2ccccc2)c(=O)n1C	PC-id_10689822	359.421	GFIDIBRMPGIJRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104374
O=C1N(c2n(C1)c(c(n2)/C=C/c1ccccc1)C)Cc1ccc(OC)cc1	PC-id_71763772	359.421	IPCWONVMOGYOHP-JLHYYAGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104375
O=C(Nc1n[nH]c2CCCc12)Cc1cc(c2ccc(cc2)C(=O)C)ccc1	PC-id_9946927	359.421	YDFOPEXKGOVLKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104376
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(c2ccc(cc2)C(=O)C)cc1	PC-id_9968798	359.421	IBYMYWRLOLTVGK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104377
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(c2cc(ccc2)C(=O)C)cc1	PC-id_9968799	359.421	RWQAIQYRXYNFST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104378
c1(CN(C)C(=O)N[C@H]2COC[C@H]2Cc2cc(no2)C)c2CCCc2[nH]n1	ZINC22_584885616,MCULE-3791625795,EMOLS-id_177368850	359.423	DVLKMNRTESCQQM-PXAZEXFGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104379
c1(C(=O)N[C@@H]2CCN(C[C@H]2O)Cc2c(C)noc2C)c2CCCc2[nH]n1	MCULE-7294766604,EMOLS-id_68895417,ZINC22_299785109,PC-id_118772762	359.423	JCBZGVGYJVFATO-HZPDHXFCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104380
Cc1noc(C)c1CN1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1	ZINC22_1565511613	359.423	JCBZGVGYJVFATO-HOTGVXAUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104381
COCCNC(=O)c1cnc2CCC(CNC(=O)CCc3ccc[nH]3)n12	EMOLS-id_313764544	359.423	JFWKRHIGZYRJTI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-104382
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CCc1ccc[nH]1)CC2	ZINC22_1565547455	359.423	JFWKRHIGZYRJTI-CQSZACIVSA-N	00000010110000000001000010000000000000000000000000000000	25-01-104383
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CCc1ccc[nH]1)CC2	ZINC22_2055750605	359.423	JFWKRHIGZYRJTI-AWEZNQCLSA-N	00000010110000000001000010000000000000000000000000000000	25-01-104384
O(Cc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1)CCOCC	PC-id_55820579	359.423	XWSCYIZKCIUSQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104385
s1c2CCCc2cc1C(=O)NNC(=O)c1noc(c1)c1sccc1	PC-id_51314317	359.423	GTVROMOVINEBMS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-104386
s1c2CCCc2c(c1NC(=O)CSc1ncccc1C(=O)O)C#N	PC-id_5059241	359.423	RVPUPUHGOGCVAL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104387
s1c2CCCc2nc1NC(=O)c1sc(NC(=O)c2occc2)cc1	PC-id_47018845	359.423	CIRUJHXFVRBZDC-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-104388
C1c2c(CN1CCc1ccccc1)[nH]nc2NC(=O)C=Cc1cnccc1	SCHEMBL2921736,SCHEMBL2921733,PC-id_87455694	359.424	WFTKFRQEYBUYKX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-104389
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)/C=Cc1cccnc1	SCHEMBL2921732	359.424	OFPIRASYTLHKQB-KTKRTIGZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-104390
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)/C=Cc1ccncc1	SCHEMBL2918682	359.424	ZCANAJNNRIEERK-FPLPWBNLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-104391
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)C=Cc1ccncc1	SCHEMBL2918683,PC-id_68440697	359.424	JMBIHFBAZRELMO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-104392
O=C(Nc1n[nH]c2CN(Cc12)C(c1ccccc1)C)C=Cc1cccnc1	PC-id_68441693	359.424	OFPIRASYTLHKQB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-104393
O=C(Nc1n[nH]c2CN(Cc12)C(c1ccccc1)C)C=Cc1ccncc1	PC-id_68440696	359.424	ZCANAJNNRIEERK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-104394
c1(cn(nn1)CCC1CCCCN1)C(=O)N1Cc2c(n(nc2)CCO)C1	EMOLS-id_44441811,MCULE-2134542299,PC-id_70756903	359.426	RGNSJUOXPBBXGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104395
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1ncn(C)n1)C2	ZINC22_1565553707,EMOLS-id_313733845	359.426	IIWPFZNYEJDBPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104396
COCc1[nH]nc(n1)C1CCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_318175706	359.426	QFZJMZMKFWYDDT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104397
O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1Cc2cnn(CCO)c2C1	PC-id_96577920,ZINC22_82126616	359.426	RGNSJUOXPBBXGR-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104398
O=C(c1cn(CC[C@H]2CCCCN2)nn1)N1Cc2cnn(CCO)c2C1	ZINC22_82126619,PC-id_96577921	359.426	RGNSJUOXPBBXGR-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104399
c1ccc(c2ncn(Cc3nnc4n3CCC4)c2CCn2cccn2)cc1	PC-id_50951466,EMOLS-id_32374440,MCULE-9080343902,ZINC22_65373948	359.428	KYSZIJVVWFEJLV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104400
c12CCCc1c(C(=O)OCC)c(NC(=O)COCc1ccccc1)s2	MCULE-6308086881,EMOLS-id_25507372,PC-id_46094995	359.439	OHINZYCLUBHMPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104401
c1(c(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cc(cc1)C)OC	EMOLS-id_327921550,MCULE-8540681408	359.439	RJLSSWXPQGIWFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104402
c1(C(=O)Nc2ccccc2OCC)sc2c(CCC2)c1C(=O)OCC	ZINC22_4698805,PC-id_4401149,MCULE-5458080506,CoCoCo_6050594,EMOLS-id_6108086	359.439	IZOGWMBOIOCFGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104403
c1(NC(=O)c2ccc(cc2)OCCC)sc2c(CCC2)c1C(=O)OC	ZINC22_2830429,PC-id_2188673,EMOLS-id_2455002,TIMTEC87630,MCULE-1223204821,CoCoCo_927658	359.439	BVGVVQNGSFVFTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104404
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-3700641999,CoCoCo_4966745,ZINC22_1514870,EMOLS-id_5380758,PC-id_4426181	359.439	XWUCXDSNSZGQGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104405
c1(NC(=O)c2ccccc2OCC)sc2c(CCC2)c1C(=O)OCC	ZINC22_1086183,MCULE-8374791299,EMOLS-id_2178192,CoCoCo_847569,PC-id_1271577	359.439	BBKRGMJZDXEVRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104406
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_328057217,PC-id_4341977,MCULE-7970875396	359.439	SEXSEPTXPXYDJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104407
c1(NC(=O)Cc2ccccc2OC)sc2c(CCC2)c1C(=O)OCC	PC-id_993575,MCULE-3074019966,CoCoCo_6973482,EMOLS-id_327852285	359.439	PEMOVBXHKAYECL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104408
c1(NC(=O)CCc2ccc(OC)cc2)sc2c(CCC2)c1C(=O)OC	TIMTEC255266,MCULE-4195501311,TOSLab_8547,ZINC22_2748898,CoCoCo_897477,PC-id_2165610,EMOLS-id_2196455	359.439	KAKQLXPGGBRHEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104409
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-3467603339,PC-id_1661314	359.439	PQKKESHGHNLGCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104410
c1(NC(=O)C(CC)Oc2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_2932618,TIMTEC598589,EMOLS-id_2444189,MCULE-7400132023	359.439	ZNJKGUSACNRHFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104411
c1(NC(=O)C(C)Oc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	PC-id_2982002,SPECS-id_AN-329/42868355,TIMTEC527337,ChEMBL-DNDi_CHEMBL7983035,MCULE-4850637773,SPECS-id_AT-084/J172213,SPECS-id_AN-153/I216880,EMOLS-id_2519899	359.439	WLYIZBKIHLYUEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104412
c1(NC(=O)C(C)Oc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2463198,PC-id_2945916,MCULE-3699895358	359.439	VCDNEJCVIQVZSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104413
c1(NC(=O)CCOc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5474469,ZINC22_4194488,PC-id_5072617,MCULE-7591515041,CoCoCo_5018025	359.439	AODWIQINMYDDMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104414
c1(NC(=O)CCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4544972,STOCK3S-92082,PC-id_1887012,ZINC22_2259367,MCULE-6115387434	359.439	ZEIANHXZZHELTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104415
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)OC	MCULE-2464367782,PC-id_1661324	359.439	VOJSCUXDZOPABH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104416
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)c1C(=O)OC	MCULE-5593744042,PC-id_19175654	359.439	OJPLZMMTLLEULJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104417
c1(NC(=O)COc2ccccc2C)sc2c(CCC2)c1C(=O)OCC	Chemmine_3555,ZINC22_633884,STOCK1S-86347,CoCoCo_96907,MCULE-8259270603,ChEMBL-DNDi_CHEMBL5895625,EMOLS-id_649622,PC-id_986434,TIMTEC501483,BAS-00572142	359.439	VJBIDAXFIFLMJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104418
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_846889,MCULE-6819750785,BAS-00570340,CoCoCo_96717,ChEMBL-DNDi_CHEMBL1683-0631,EMOLS-id_1088680,PC-id_1112465	359.439	DMLHUALSUKSBCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104419
c1(NC(=O)COc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL7926928,ZINC22_2868899,MCULE-4559050051,PC-id_2222033,CoCoCo_527377,EMOLS-id_2007937	359.439	QJFXZMOEAKWJBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104420
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)OC	CoCoCo_1708533,SPECS-id_AF-399/13428281,ChEMBL-DNDi_CHEMBL2798-1115,TIMTEC180547,SPECS-id_AT-225/NB60120,EMOLS-id_603945,ZINC22_622534,SCHEMBL8288731,MCULE-5700814737,PC-id_978659	359.439	GVFLVMIQYBHIPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104421
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)OC	CoCoCo_6782485,PC-id_1495816,ZINC22_1412645,EMOLS-id_4037249,TIMTEC72196,MCULE-2679254392	359.439	BEHZAWDHWNRKPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104422
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)OC	PC-id_1666518,MCULE-5362790905	359.439	FRVVGKHFGNKJAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104423
c1(NC(=O)COc2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_1637642,MCULE-8940652549	359.439	POAYDOXRFOSWTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104424
c1(NC(=O)COc2cccc(CC)c2)sc2c(CCC2)c1C(=O)OC	MCULE-9575423226,PC-id_1663891	359.439	FNLXMDHQWYBLKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104425
c1(NC(=O)COc2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)OC	TIMTEC264865,SPECS-id_AF-399/13428280,CoCoCo_1708532,SPECS-id_AT-225/NB59648,EMOLS-id_603023,ZINC22_622231,PC-id_978444,MCULE-3552570517	359.439	KLBQVJJMCHCFDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104426
CCCc1ccc(cc1)C(=O)c1c(cc2n1CCC2C(=O)O)S(=O)C	SCHEMBL11202181,PC-id_70536348	359.439	MOJARNOUVASWLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104427
CCCc1ccc(cc1)C(=O)c1c(SC)cc2n1CCC2OC(=O)O	PC-id_70449250,SCHEMBL10812663	359.439	OHKHZGRTTJYJLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104428
CCCCS(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11451434,PC-id_23333146	359.439	LHYWXYDEFORPFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104429
CCCCS(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	PC-id_70588589,SCHEMBL11451435	359.439	NHJKXNHYFYQGQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104430
CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_1292381,ZINC22_1114455,CoCoCo_903591	359.439	ZNJKGUSACNRHFO-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104431
CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	ZINC22_1114457,PC-id_1292383,CoCoCo_903592	359.439	ZNJKGUSACNRHFO-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104432
CCCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C	PC-id_70585969,SCHEMBL11437819	359.439	LPTYWLAYDWJTIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104433
CCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C	SCHEMBL11437815,PC-id_23333087	359.439	OAKXNMLKBZHYHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104434
CC(CS(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O)C	PC-id_23333131,SCHEMBL11436147	359.439	FQBVRNIBNWRKPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104435
CC(CS(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)C	SCHEMBL11439486,PC-id_23333122	359.439	ZWESSFAXEJATAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104436
CCCS(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	SCHEMBL11444465,PC-id_23333099	359.439	SNVRHHZTEFKRQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104437
CCCS(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	PC-id_70587396,SCHEMBL11444467	359.439	BYBXTFANZPLCBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104438
CC(CS(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O)C	SCHEMBL11438184,PC-id_70586040	359.439	RNCVZYPSBFCWAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104439
CCOc1ccc(cc1)C(=O)c1c(SC)cc2n1CCC2(C)C(=O)O	SCHEMBL10817003,PC-id_70450322	359.439	VWZHPLPQCULDTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104440
CCOc1ccc(cc1)C(=O)c1c(SC)cc2n1CCC2C(=O)OC	PC-id_14570934,SCHEMBL10811554	359.439	FHVFAIHMLIVWJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104441
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C)C	PC-id_23333089,SCHEMBL11437840	359.439	VIJJHESVKWWBDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104442
CC(OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C)C	PC-id_70585973,SCHEMBL11437843	359.439	ROGQNVNSFYNHOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104443
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)OC)sc2c1CCC2	PC-id_110825638	359.439	ZJRSSCBILVZRKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104444
CCOC(=O)c1c(NC(=O)c2c(C)cccc2C)sc2c1C(C)OC2	PC-id_24772544,SCHEMBL2162704	359.439	UEWAEKNNDFZVDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104445
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc2c1CCC2	CoCoCo_957752,PC-id_2196800,ZINC22_2841188	359.439	VCDNEJCVIQVZSA-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104446
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2c1CCC2	ZINC22_2841189,CoCoCo_957751,PC-id_2196801	359.439	VCDNEJCVIQVZSA-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104447
COc1ccccc1CC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	MCULE-7885172599,EMOLS-id_53686113,PC-id_120219985	359.439	HXIZHJPPYUPJKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104448
COc1cccc(c1)C(NC(=O)c1sc2c(c1)CCC2)(CC(=O)O)C	MCULE-3308651911,PC-id_121972916,EMOLS-id_72654729	359.439	RGBXIDZCNZLDCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104449
COc1ccc(CCNC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	PC-id_4882733,EMOLS-id_3351879,ZINC22_5308642,CoCoCo_2840950,MCULE-4603190152	359.439	DLYKJLHXJDWQFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104450
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)CC)S(=O)C	PC-id_70449256,SCHEMBL10812683	359.439	UDUWJGCXRRYTQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104451
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)C(C)C	PC-id_23333038,SCHEMBL11439598	359.439	BGIFWKNLNYNAGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104452
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C(C)C	PC-id_70586076,SCHEMBL11438354	359.439	XEICXWMLOXECBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104453
COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)sc2c1CCC2	PC-id_7371826,CoCoCo_572506,ZINC22_4820361	359.439	WLYIZBKIHLYUEC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104454
COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C)cc2)sc2c1CCC2	ZINC22_4820360,PC-id_7371825,CoCoCo_572505	359.439	WLYIZBKIHLYUEC-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104455
CSc1cc2n(c1C(=O)c1ccc(OC(C)C)cc1)CCC2C(=O)O	PC-id_13687507,SCHEMBL10811462,CHEMBL19451	359.439	KHYWNDUKJQTVTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104456
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C(C)(C)C	PC-id_23333072,SCHEMBL11451601	359.439	NCEFMOXBCBSIAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104457
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)C(C)(C)C	PC-id_23333107,SCHEMBL11439423	359.439	ZPJBTCGPPQDGAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104458
OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C(C)(C)C	PC-id_70586292,SCHEMBL11439425	359.439	BOPXDKANEXBZSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104459
O=C(O)CCCOc1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_238014727,EMOLS-id_52280949,MCULE-1883220676,PC-id_119247055	359.439	ROSWEKFLWRRIDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104460
s1c2CCCc2cc1C(=O)OC(C(=O)c1[nH]c(c(c1C)C(=O)C)C)C	PC-id_84829221	359.439	WVKODPPBFRFWGS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-104461
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(OCC)cc1)C	PC-id_78674811	359.439	IITQKXQJIWAUHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104462
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(OC)ccc(c1)C)C	PC-id_78674831	359.439	ANCLNPBRJJUBGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104463
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1ccc(OC)cc1)C	PC-id_45637955	359.439	OMVWLRCYUIYTHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104464
s1c2CCCc2cc1C(=O)OC(C(=O)NCc1ccc(OC)cc1)C	PC-id_78469337	359.439	CKNNTSQVJHOTNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104465
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1c(OC)cccc1)C	PC-id_7532657	359.439	JYQMIWHWLBCCMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104466
s1c2CCCc2cc1C(=O)OC(C(=O)NCc1c(OC)cccc1)C	PC-id_78674851	359.439	MXHIRIVDJSRMIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104467
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)c1[nH]c(c(c1C)C(=O)C)C)C	PC-id_8752724	359.439	WVKODPPBFRFWGS-GFCCVEGCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-104468
s1c2CCCc2cc1C(=O)O[C@H](C(=O)c1[nH]c(c(c1C)C(=O)C)C)C	PC-id_8752727	359.439	WVKODPPBFRFWGS-LBPRGKRZSA-N	00000010110000000000000010000000000000000000000000000000	25-01-104469
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(OCC)cc1)C	PC-id_8359085	359.439	IITQKXQJIWAUHV-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104470
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(OCC)cc1)C	PC-id_8359086	359.439	IITQKXQJIWAUHV-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104471
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC)ccc(c1)C)C	PC-id_8359147	359.439	ANCLNPBRJJUBGG-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104472
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC)ccc(c1)C)C	PC-id_8359148	359.439	ANCLNPBRJJUBGG-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104473
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCc1ccc(OC)cc1)C	PC-id_7291874	359.439	CKNNTSQVJHOTNO-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104474
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCc1ccc(OC)cc1)C	PC-id_7291875	359.439	CKNNTSQVJHOTNO-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104475
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCc1c(OC)cccc1)C	PC-id_8359229	359.439	MXHIRIVDJSRMIH-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104476
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCc1c(OC)cccc1)C	PC-id_8359232	359.439	MXHIRIVDJSRMIH-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104477
s1c2c(CCC2)c(c1N=Cc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_24126372	359.439	BFZQLWZONDIOLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104478
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC(C)C)cc1)C(=O)OC	PC-id_4136668	359.439	OFJIGLFUQMWVEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104479
s1c2c(CCC2)c(c1NC(=O)c1cc(OCC)ccc1)C(=O)OCC	PC-id_4957413	359.439	BHRLWRCJRWKSAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104480
s1c2c(CCC2)c(c1NC(=O)c1cc(OC(C)C)ccc1)C(=O)OC	PC-id_17142404	359.439	OVFAXYFNBIHTRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104481
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCC)ccc1)C(=O)OC	PC-id_4960036	359.439	WZLJTDLIWPZMCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104482
s1c2c(CCC2)c(c1NC(=O)c1c(OC(C)C)cccc1)C(=O)OC	PC-id_17045522	359.439	LOMCSEJMLJSXKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104483
s1c2c(CCC2)c(c1NC(=O)c1c(OCCC)cccc1)C(=O)OC	PC-id_4947842	359.439	RDTPKMPAUHPXLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104484
s1c2c(CCC2)c(c1NC(=O)Cc1cc(c(OC)cc1)C)C(=O)OC	PC-id_16848139	359.439	PETFDTSFVZJWHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104485
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(OCC)cc1)C(=O)OC	PC-id_8719767	359.439	YSWGWBVCMPASPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104486
s1c2c(CCC2)c(c1NC(=O)C(Oc1cc(ccc1)C)C)C(=O)OC	PC-id_4931097	359.439	UDYJEPCWBLPMQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104487
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(cccc1)C)C)C(=O)OC	PC-id_4931539	359.439	ZMTBACSEDKFTSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104488
c1(c(C)nc(c2ccc(cc2)F)s1)C(=O)Nc1sc2c(CCC2)n1	MCULE-6239126130,EMOLS-id_323323921	359.441	LPUZDKWTUNCWKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104489
c1(c(C)nc(c2cccc(F)c2)s1)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_46567303,EMOLS-id_43042519,PC-id_60180920,ZINC22_72406413,MCULE-3488815682,STOCK7S-30499	359.441	IIIZHZMXTCKJJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104490
c1(C(=O)Nc2sc3c(CCC3)n2)nc(sc1c1ccc(cc1)F)C	EMOLS-id_323459843,MCULE-1167670380	359.441	AZRPAXIHTSTESO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104491
c1(NC(=O)Cc2csc(c3ccc(cc3)F)n2)sc2c(CCC2)n1	EMOLS-id_320487239,MCULE-2568572643	359.441	YAWWGAGRRHEGNX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104492
OC1CCN(CC1)c1ccc(cc1C(NC1CC(n2c1ncn2)C)C)F	EMOLS-id_320253524,MCULE-6923034596	359.441	VAPCDDBJTWUODO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104493
c1(c2CCCc2sc1NC(=O)c1c(CC)noc1C)C(=O)NC1CC1	CoCoCo_1073509,ZINC22_13329125,TIMTEC479170,MCULE-7435041983,EMOLS-id_13331470,PC-id_17174104	359.443	UKENOSCEPFDIKA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104494
c1(c2CCCc2sc1NC(=O)c1cc(on1)C)C(=O)NC1CCCC1	TIMTEC487247,MCULE-4449343956,PC-id_17174021,EMOLS-id_13331190,ZINC22_13329129,CoCoCo_1072485	359.443	UTDVSGHJSGTLDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104495
c1(NC(=O)c2ccccn2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390035,MCULE-3343059298	359.443	UPXSHCPDMNZFLG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104496
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6407630701,EMOLS-id_334386705	359.443	UNCIQNUCIAQMOF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104497
c1(NC(=O)c2ccncc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2504129704,EMOLS-id_334392592	359.443	LMQWVUDWDWCIAW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104498
c1(NC(=O)C=Cc2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_16812336,MCULE-2889037959	359.443	UYFSNLHBCSAFDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104499
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)n(C)nc2CSCc12	MCULE-4120340274	359.443	XZCIAOAKWOZOTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104500
c1(NC(=O)C=Cc2cnn(C)c2C)sc2c(CCC2)c1C(=O)OCC	PC-id_1001170,MCULE-4963539237	359.443	AIYMOWBQLBPKGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104501
c1(NC(=O)CNCc2cccnc2)sc2c(c1C(=O)OCC)CCC2	MCULE-4622960652,CoCoCo_5026821,PC-id_2241117,ZINC22_55398814	359.443	WIEVUADRRSAAOF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104502
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N(CCO)Cc1ccccc1	STOCK6S-11599,MCULE-4346883462,ZINC22_6754839,PC-id_8069452,EMOLS-id_4741989	359.443	QGJITQYLINQVBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104503
Cc1cc(C(=O)NC2CCN(C(=O)c3cc4c(s3)CCC4)CC2)on1	PC-id_53545297,ZINC22_65551683,MCULE-7853529880,EMOLS-id_35759705	359.443	QHABRUFRAQOFOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104504
Cc1cc(NC(=O)C2CCN(C(=O)c3cc4c(s3)CCC4)CC2)no1	MCULE-9680114031,EMOLS-id_44522832,PC-id_71899322,ZINC22_42008266	359.443	ZYULOTALLLAKGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104505
Cc1c(C(=O)O)cnn1C1CCN(C(=O)c2cc3c(s2)CCC3)CC1	MCULE-3990389698,PC-id_121972125,EMOLS-id_72653147,ZINC22_263113038	359.443	GGJMXNAAOWZMSO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104506
CCCc1nc2s/c(=Cc3ccc(OCC)c(OCC)c3)/c(=O)n2n1	EMOLS-id_324848867	359.443	QAHHXJLOGIJHJE-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104507
CCC(CC)c1nc2s/c(=Cc3cccc(OC)c3OC)/c(=O)n2n1	EMOLS-id_324850927	359.443	UGRIJTCZWAMDEL-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104508
CCC(CC)c1nc2s/c(=Cc3ccc(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324851435	359.443	OISUKIVNTDRFJI-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104509
CCC(CC)c1nc2s/c(=Cc3cc(OC)ccc3OC)/c(=O)n2n1	EMOLS-id_324851439	359.443	CKDKMURPJNKWND-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104510
CCCCCCOc1ccc(cc1OC)/C=c/1sc2n(c1=O)ncn2	STOCK3S-34813,EMOLS-id_26302500,ZINC22_13619217	359.443	KAYWRNFGOQWACY-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104511
CCCCCCOc1ccc(/C=c/sc3ncnn3c2=O)cc1OC	ZINC22_2369203,EMOLS-id_1126534	359.443	KAYWRNFGOQWACY-LFIBNONCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104512
CCCCCOc1ccc(cc1OCC)/C=c
/sc2n(c1=O)ncn2	EMOLS-id_206994566,ZINC22_2376644,STOCK3S-40132	359.443	CQTCJZIGNPYXLE-LFIBNONCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104513
CC(C)(C)n1nc2c(c1NC(=O)/C=Cc1ccccc1)CS(=O)(=O)C2	ZINC22_17112952,EMOLS-id_26441836,CoCoCo_4982181	359.443	UYFSNLHBCSAFDU-KTKRTIGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104514
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	MCULE-8489419116,PC-id_33040418,EMOLS-id_30643490,ZINC22_25768730	359.443	QZKSZYOLFJDXEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104515
CCCOc1ccc(/C=c/2sc3nc(CCC)nn3c2=O)cc1OC	EMOLS-id_324845796	359.443	GUKWIBPGJCWZLO-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104516
CCCOc1ccc(/C=c/2sc3nc(CC)nn3c2=O)cc1OCC	EMOLS-id_324843242	359.443	ZHAIOXAHKKYOMH-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104517
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1OC	EMOLS-id_324847853	359.443	QSIFVQDKFLBTTM-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104518
CCOc1cc(/C=c/2sc3nc(CC(C)C)nn3c2=O)ccc1OC	EMOLS-id_324858595	359.443	ZYBLDPQKJRQHNC-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104519
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)ccc1OC	EMOLS-id_324852454	359.443	YZBYCPGEJLTIBP-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104520
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)ccc1O	EMOLS-id_324852971	359.443	AQOCYHBNSSWLDS-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104521
CCOc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1OC	EMOLS-id_324861667	359.443	UFWMCNXXXKJNSO-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104522
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1OCC	EMOLS-id_324846829	359.443	YOWNFJSOZDISJL-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104523
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1OC	EMOLS-id_324851431	359.443	KIGBVAWZYOSYCO-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104524
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)c1O	EMOLS-id_324852974	359.443	XMQKNPDBYOHZKM-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104525
CCOc1ccc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc1OC	EMOLS-id_334562491	359.443	XZCIAOAKWOZOTF-SOFGYWHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104526
CCOC(=O)c1c(NC(=O)CCc2ccc(N)nc2)sc2CCCc12	MCULE-1760192197,EMOLS-id_328090018	359.443	KTSOIZCGZAIOOI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104527
CCOC(=O)c1c(NC(=O)/C=Cc2cnn(c2C)C)sc2c1CCC2	CoCoCo_5835241,PC-id_92903681	359.443	AIYMOWBQLBPKGD-HJWRWDBZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104528
CCOC(=O)c1c(NC(=O)/C=C/c2cnn(C)c2C)sc2c1CCC2	CoCoCo_5835240,PC-id_1001171,ZINC22_656751,EMOLS-id_25981997	359.443	AIYMOWBQLBPKGD-CMDGGOBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104529
CCOC(=O)c1c([nH]c(c1C)/C=N/NC(=O)c1cc2c(s1)CCC2)C	PC-id_135710498	359.443	HYQUJWMGNVDGPG-DJKKODMXSA-N	00000010110000000000000010000000000000000000000000000000	25-01-104530
COCCNC(=O)[C@@H]1CCc2c1nc(s2)NC(=O)c1ccc(cc1)C	CoCoCo_5124806,PC-id_40946013	359.443	XANHQYCRULLWSL-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104531
COCCNC(=O)[C@H]1CCc2c1nc(s2)NC(=O)c1ccc(cc1)C	CoCoCo_5124807,PC-id_40946012	359.443	XANHQYCRULLWSL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104532
n12c(=O)c(=Cc3ccc(c(OC)c3)OCCC)sc1nc(C(C)C)n2	MCULE-5754294686	359.443	QSIFVQDKFLBTTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104533
n12c(=O)c(=Cc3ccc(c(OC)c3)OCC)sc1nc(C(C)(C)C)n2	MCULE-3042982254	359.443	KIGBVAWZYOSYCO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104534
n12c(=O)c(=Cc3ccc(c(OC)c3)OC)sc1nc(C(CC)CC)n2	MCULE-6606976664	359.443	OISUKIVNTDRFJI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104535
n12c(=O)c(=Cc3cccc(OC)c3OC)sc1nc(C(CC)CC)n2	MCULE-8097021288	359.443	UGRIJTCZWAMDEL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104536
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCC)sc1nc(C(C)C)n2	MCULE-9101908016	359.443	YOWNFJSOZDISJL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104537
n12c(=O)c(=Cc3ccc(c(OCC)c3)OC)sc1nc(C(C)(C)C)n2	MCULE-2330613533	359.443	YZBYCPGEJLTIBP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104538
n12c(=O)c(=Cc3cccc(OCC)c3O)sc1nc(C(CC)CC)n2	MCULE-5216003082	359.443	XMQKNPDBYOHZKM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104539
n12c(=O)c(=Cc3ccc(c(OCC)c3)O)sc1nc(C(CC)CC)n2	MCULE-7127332375	359.443	AQOCYHBNSSWLDS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104540
n12c(=O)c(=Cc3cc(OC)ccc3OC)sc1nc(C(CC)CC)n2	MCULE-4077439918	359.443	CKDKMURPJNKWND-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104541
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)CC(C)C	MCULE-1297310209	359.443	UFWMCNXXXKJNSO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104542
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)CCC	MCULE-6739198700	359.443	GUKWIBPGJCWZLO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104543
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)CC	MCULE-2968323413	359.443	JOPLYXSVTHGWPE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104544
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCCCCCC)c2=O	MCULE-4306554318	359.443	KAYWRNFGOQWACY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104545
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC)c2=O)CC(C)C	MCULE-3522422311	359.443	ZYBLDPQKJRQHNC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104546
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)CCC	MCULE-7709548383	359.443	QAHHXJLOGIJHJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104547
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)CC	MCULE-4595211745	359.443	ZHAIOXAHKKYOMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104548
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCCCCC)c2=O	EMOLS-id_1126524,MCULE-9606423863	359.443	CQTCJZIGNPYXLE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104549
NC(=O)c1c(NC(=O)CN(CCO)c2ccccc2)sc2c1CCC2	CoCoCo_3373365,EMOLS-id_3131867,PC-id_2456454,ZINC22_3340016,MCULE-3058342067	359.443	WBCCJKQGRQPVLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104550
O=C(CN1C[C@@H](O)[C@H](Oc2ccccc2)C1)Nc1nc2c(s1)CCC2	ZINC22_639930682,MCULE-3306833017,PC-id_136585052,EMOLS-id_316938607	359.443	XPADDLYXPGRECE-HUUCEWRRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104551
O=C(Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)/C=C/c1ccccc1	CoCoCo_4982182	359.443	UYFSNLHBCSAFDU-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104552
s1c2CCCc2cc1C(=O)NNC=C1N=C(C(=C1C)C(=O)OCC)C	PC-id_9231749	359.443	RDGRFPXHAWIBIZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-104553
s1c2CCCc2cc1C(=O)OCC(=O)Nc1n(ncc1)C1CCCC1	PC-id_7623520	359.443	YHLVUDFGHCLXHM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-104554
s1c2c(CCC2)c(c1NC(=O)[C@@H](Nc1c(OC)cccc1)C)C(=O)N	PC-id_9274072	359.443	PGQCSVJFYPFRGZ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-104555
s1c2c(CCC2)c(c1NC(=O)[C@H](Nc1c(OC)cccc1)C)C(=O)N	PC-id_9274075	359.443	PGQCSVJFYPFRGZ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104556
s1c2c(CCC2)c(c1NC(=O)C(Nc1c(OC)cccc1)C)C(=O)N	PC-id_84968437	359.443	PGQCSVJFYPFRGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104557
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCCOC	PC-id_16947524	359.443	XANHQYCRULLWSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104558
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCC	PC-id_16947835	359.443	BAQONMZCJFUUAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104559
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)C	PC-id_16947836	359.443	ISCYFWPRESCKKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104560
s1c2CCCc2nc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1	PC-id_33040233	359.443	SIENDEYWFUCVSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104561
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)cc1	EMOLS-id_324919053	359.444	MTVUBQNSLKJYLQ-FEYWXZCKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104562
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)cc1	EMOLS-id_324915213	359.444	LOJAOEXEBCZKSP-FEYWXZCKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104563
Cc1ccc(/C=C/c2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324918029	359.444	PTEJBYFZLJZOJX-JAVCTNCCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104564
Cc1c(C(=O)Nc2c(C#N)c3c(CCC3)s2)ccc(c2ccccc2)n1	EMOLS-id_322859751,MCULE-4452721542	359.444	OVWDAYYQACQEGU-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-104565
CCc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_45970120,ZINC22_27021592	359.444	LAYPFYPFIIOFQE-LWOKMJCDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104566
n12nc(nc1sc(=Cc1ccccc1C)c2=O)C=Cc1ccc(cc1)C	MCULE-2007333742	359.444	MTVUBQNSLKJYLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104567
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)C=Cc1ccc(cc1)C	MCULE-6308067676	359.444	LOJAOEXEBCZKSP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104568
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)C=Cc1ccccc1	MCULE-6474593136	359.444	LAYPFYPFIIOFQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104569
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-7391814963	359.444	PTEJBYFZLJZOJX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104570
n12nc(nc1sc(=CC(=Cc1ccccc1)C)c2=O)Cc1ccccc1	MCULE-3581702428	359.444	YZXCXUIMBWEJFJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-104571
c12SCCn1cc(CNC(=O)C(c1cccnc1)N1CCOCC1)n2	MCULE-4642426681,PC-id_72855487,EMOLS-id_46038003	359.446	PABWLYDEYCSADH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-104572
c1(NC(=O)C(c2cccnc2)N2CCOCC2)n(C)nc2CSCc12	EMOLS-id_316206826,MCULE-7940215025,PC-id_134707783	359.446	NWJGYGZYIQRTKJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-104573
c1(NC(=O)C(=O)NCc2ccccn2)c2CSCc2nn1C(C)(C)C	CoCoCo_5184713,PC-id_18584375,ZINC22_5381119,MCULE-4076062795,EMOLS-id_5617910	359.446	CIURLHOZNGSHNU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104574
c1(NC(=O)C(=O)NCc2cccnc2)c2CSCc2nn1C(C)(C)C	CoCoCo_5184712,EMOLS-id_5617908,PC-id_18584374,MCULE-3243264131,ZINC22_5381118	359.446	UFOFRDWIKBNXEJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104575
c1(NC(=O)C(=O)NCc2ccncc2)c2CSCc2nn1C(C)(C)C	CoCoCo_5184725,PC-id_18584377,EMOLS-id_5617932,ZINC22_5381121,MCULE-2224342268	359.446	NEHLZKDCGMKSHS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104576
Cn1cc(C2CCN(C(=O)C(=O)Nc3nc4c(s3)CCC4)CC2)cn1	ZINC22_526924778	359.446	NPVQBVUTXIMKLL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104577
Cn1nc2c(c1NC(=O)[C@H](c1cccnc1)N1CCOCC1)CSC2	ZINC22_1529168843	359.446	NWJGYGZYIQRTKJ-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-104578
Cn1nc2c(c1NC(=O)[C@@H](c1cccnc1)N1CCOCC1)CSC2	ZINC22_1529168844	359.446	NWJGYGZYIQRTKJ-OAHLLOKOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-104579
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCCN1C(=O)c1cccs1	ZINC22_48251732,EMOLS-id_32066632,MCULE-8735458939,PC-id_47066867	359.446	MOZDKUWAIHRHMF-LBPRGKRZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104580
o1c([C@H]([NH+]2CCCCC2)CNC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52270178	359.446	QRLWCZYKUNUXEO-CQSZACIVSA-O	00000010101010000001000010000000000000000000000000000000	25-01-104581
o1c([C@@H]([NH+]2CCCCC2)CNC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52270180	359.446	QRLWCZYKUNUXEO-AWEZNQCLSA-O	00000010101010000001000010000000000000000000000000000000	25-01-104582
o1c(C([NH+]2CCCCC2)CNC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_75817580	359.446	QRLWCZYKUNUXEO-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-104583
O=C(c1noc(n1)C1CCCN1Cc1sc2c(n1)CCC2)NC1CC1	EMOLS-id_316072689,MCULE-6021228261	359.446	QGJHRVSSOSLOGV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-104584
O=C(c1sc2c(c1)CCC2)NNC(=O)c1[nH]nc(c1)C1CCCN1C	EMOLS-id_278261819	359.446	ZQGVCIVCAUBMMO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-104585
O=C(N1CCN(CC1)C(=O)c1cscc1)NC1CC(n2c1ncc2)C	EMOLS-id_101436702	359.446	LQINRESLZNHHQH-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-104586
O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2nc3c(s2)CCC3)n1	ZINC22_328640842	359.446	QGJHRVSSOSLOGV-GFCCVEGCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-104587
O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2nc3c(s2)CCC3)n1	ZINC22_328640843	359.446	QGJHRVSSOSLOGV-LBPRGKRZSA-N	00100010100000000001100010000000000000000000000000000000	25-01-104588
O=C(NCc1cn2c(n1)SCC2)[C@H](c1cccnc1)N1CCOCC1	PC-id_97116908,ZINC22_91425048	359.446	PABWLYDEYCSADH-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-104589
O=C(NCc1cn2c(n1)SCC2)[C@@H](c1cccnc1)N1CCOCC1	PC-id_97116909,ZINC22_91425051	359.446	PABWLYDEYCSADH-OAHLLOKOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-104590
O=C(NCC(=O)N1CCN(c2cn[nH]c2)CC1)c1cc2c(s1)CCC2	ZINC22_1875319518	359.446	GKJCXESEDIZRBM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104591
O=S(=O)(c1ccc(nc1)N/N=C/1CCn2c1ccc2)NC1CCCC1	GD-id_ZINC46100364	359.446	LAYUWBVWJVIEHU-XDJHFCHBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104592
s1c(C(=O)N2C(CCC2)C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_75265827	359.446	MOZDKUWAIHRHMF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104593
c1(NC(=O)CN2CCN(CC2)c2ncccn2)n(C)nc2CSCc12	EMOLS-id_316200124,MCULE-7695881120,ZINC22_1529120996,PC-id_134700939	359.449	XJNBZPQXRJLALQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-104594
O=C(CN1CCN(CC1)c1ncccn1)NCc1nc2n(c1)CCS2	EMOLS-id_46649852,PC-id_72936759,MCULE-9639756880	359.449	DBXBCHMXLNBRLH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-104595
s1c2CCCc2nc1CN1CCN(CC1)C(=O)Cc1ccc(F)cc1	PC-id_44060317	359.461	VEOHNAHSLUFFOX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104596
Cc1c(c(ccc1)OCCNCCCCn1c(c2CCCn2c1=O)O)C	PC-id_91331709	359.463	WMGIOCAOYSJBBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104597
CCc1ccccc1OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_90797629	359.463	GBXNTGAUBHTAQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104598
CCc1cc(ccc1)OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_90896967	359.463	FEQIHONAMHFZCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104599
CCOC(=O)c1c(NC(=O)C[n+]2ccc(cc2)CC)sc2c1CCC2	GD-id_ZINC07741754,PC-id_8856570	359.463	OFOYQUNSAOHHME-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-104600
COc1ccccc1CCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_90799413	359.463	ZBDFMLQUFIHCBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104601
O=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1occ2c1CCC2	ZINC22_585081808,EMOLS-id_177201772,MCULE-2561823371	359.463	GRVYHPYMOQGNMS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104602
s1c2c(CCC2)c(c1NC(=O)C[n+]1c(c(ccc1)C)C)C(=O)OCC	PC-id_8827765	359.463	FUSMNHLTYMYHHO-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-104603
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1ccccc1)C(=O)OCC	PC-id_4533992	359.463	VEGJOUJGECPONL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104604
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccccc1)C)C(=O)OC	PC-id_2466030	359.463	RSMVVYKABRGSAJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-104605
c1(CN(C)C(=O)c2ccccc2Cc2ccc(cc2)C)c2CCCc2[nH]n1	EMOLS-id_55664105,MCULE-9307728111,PC-id_91781481,ZINC22_222249031	359.464	QUYUWCKSRSYTNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104606
CC(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccn1	MCULE-2418235093,EMOLS-id_328215162	359.464	AOFKQIDYBNHNPE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-104607
CC(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1cccnc1	MCULE-9516675164,EMOLS-id_328215418	359.464	NGTWMOZPTKPVMU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-104608
CC(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccncc1	MCULE-7197822303,EMOLS-id_328215674	359.464	UCZCFQVJHYCAIM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-104609
CN(C)c1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328218233,MCULE-9750620261	359.464	IQQYUYPTAMMDBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104610
CN(C)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328217726,MCULE-8570371324	359.464	DXOVVADJZWZTSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104611
CN(CCc1ccncc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328340627,MCULE-1054718068	359.464	XBIBXGNARGQOIO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-104612
COCCN(C1CCS(=O)(=O)C1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318121778	359.464	QBWUCLMNPUGKNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104613
CS(=O)(=O)N1CCc2sc(cc12)C(=O)NCCN1CCOCC1	ZINC22_96087953,EMOLS-id_46185205,PC-id_97407205	359.464	AYVGOSTWYHOHQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104614
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1cccc(CN)c1	EMOLS-id_328213108,MCULE-9318324059	359.464	FUGHBTBFPILRMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104615
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCc1ccccn1	MCULE-2248481826,EMOLS-id_328213114	359.464	FAJFYBXWYUDMNC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-104616
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(O)CCS(=O)(=O)C1	EMOLS-id_102010752	359.464	WTHFIAZICCBBPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104617
c1(NC(=S)NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)N	ZINC22_2898132,CoCoCo_654708,SPECS-id_AM-879/PD00846,TIMTEC90478,PC-id_2247431,EMOLS-id_1731540,MCULE-2858567770	359.466	BYODBSVPJWZTLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104618
c1(NC(=S)NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	ZINC22_3079086,MCULE-7181080742,PC-id_4504217	359.466	UPFOJBSEKFRDGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104619
c1(NC(=S)NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)N	MCULE-6117788756,ZINC22_3079089,PC-id_4504216,TIMTEC228254	359.466	IWNCDVRBIVPZRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104620
c1(NC(=S)NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-2448820993,ZINC22_6927323,TIMTEC319559,PC-id_3362077	359.466	MUCPSKOHVFRGPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104621
Cc1cccc(c1)NC(=S)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4670498,MCULE-1867843468	359.466	ZRBXGEXJNGSLGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104622
CC1CCCCN1C(=O)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110344221,MCULE-7402642835,PC-id_138993655	359.466	HRPAOOFRCQMSFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104623
CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](NC(=O)[C@H]2Cc3nnc(C)n3C2)C[C@H]1C	ZINC22_1875407993	359.466	MBWOJPLDWCZPDZ-AQQJZDITSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104624
CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](NC(=O)[C@@H]2Cc3nnc(C)n3C2)C[C@H]1C	ZINC22_1875407994	359.466	MBWOJPLDWCZPDZ-CUCGDYHCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104625
CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](NC(=O)[C@H]2Cc3nnc(C)n3C2)C[C@@H]1C	ZINC22_1875407995	359.466	MBWOJPLDWCZPDZ-FRIAEVHDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104626
CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](NC(=O)[C@@H]2Cc3nnc(C)n3C2)C[C@@H]1C	ZINC22_1875407996	359.466	MBWOJPLDWCZPDZ-JUMLHWSRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104627
CC(C(=O)NC1CCCC1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98538862	359.466	MKKGMCGISQVWTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104628
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_119819523	359.466	HRPAOOFRCQMSFD-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104629
C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_119819669	359.466	HRPAOOFRCQMSFD-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104630
C[C@H]1CN(C(=O)[C@H]2C[C@H](N(C)C)C2)C[C@H]1NC(=O)c1cnn2c1CCC2	ZINC22_1875408068	359.466	NQVXSEYHAIVBIB-RZLSGREXSA-N	00001010100000000001000010000000000000000000000000000000	25-01-104631
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCC1	BindingDB_PC-id_10316425,SCHEMBL4130816,PC-id_10316425	359.466	WDHVWMXOJHHBQJ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-104632
n12CCCc1nnc2CNC(=O)C1CCC(=O)N(C2CCCCCC2)C1	MCULE-3048298769,PC-id_72871731,EMOLS-id_46049595	359.466	SFAAQVSWVXWRKG-UHFFFAOYSA-N	00000010100010000101100010000000000000000000000000000000	25-01-104633
n12CCCc1nnc2CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1	EMOLS-id_20609273,PC-id_45218784,MCULE-2048801822	359.466	HUCNPNDVLDAZSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104634
O=C(N1CCCCCC1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98166751	359.466	FWEFDQIISYYHTN-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-104635
O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110644927	359.466	JPMOGTRQLGVMDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104636
O=C(NC1CC(n2c1ncc2)C)NC1CCCN(C1=O)C1CCCCC1	EMOLS-id_101421627	359.466	UOABZPBPQORMDS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104637
O=C(NCc1nnc2n1CCC2)[C@@H]1CCC(=O)N(C2CCCCCC2)C1	PC-id_97124197,ZINC22_91551759	359.466	SFAAQVSWVXWRKG-CQSZACIVSA-N	00000010100010000101100010000000000000000000000000000000	25-01-104638
O=C(NCc1nnc2n1CCC2)[C@H]1CCC(=O)N(C2CCCCCC2)C1	ZINC22_91551762,PC-id_97124198	359.466	SFAAQVSWVXWRKG-AWEZNQCLSA-N	00000010100010000101100010000000000000000000000000000000	25-01-104639
O=C(NCc1nnc2n1CCC2)[C@H]1CCC(=O)N(CC2CCCCC2)C1	CoCoCo_1432133,ZINC22_12386349	359.466	HUCNPNDVLDAZSC-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104640
O=C(NCc1nnc2n1CCC2)[C@@H]1CCC(=O)N(CC2CCCCC2)C1	ZINC22_12386348,CoCoCo_1432132	359.466	HUCNPNDVLDAZSC-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104641
s1c2c(CCC2)c(c1NC=C(c1scc(n1)C)C#N)C(=O)OCC	PC-id_84841495	359.466	QNEDXSLWNMOMEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104642
s1c2c(CCC2)c(c1N/C=C(/c1scc(n1)C)C#N)C(=O)OCC	PC-id_8811675	359.466	QNEDXSLWNMOMEH-DHZHZOJOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104643
CS(=O)(=O)N1CCCN(CC1)C(=O)NCc1cn2CCSc2n1	EMOLS-id_177496229,MCULE-2252148951,PC-id_121511805,ZINC22_426689931	359.468	QXZWVQHLOCOAAS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-104644
O=C(N1CCCC(C1)S(=O)(=O)N)NCCc1cn2c(n1)SCC2	EMOLS-id_97736088	359.468	HODLNSWHIXUPMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104645
c1cc(SCc2nnc(NCCc3nc4c(s3)CCC4)o2)ccn1	ZINC22_1772708542,EMOLS-id_317498774,MCULE-5288997400,PC-id_137338282	359.469	DIEDMKYGGXNSPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104646
Cc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)n1	EMOLS-id_44520873,PC-id_71900220,ZINC22_74024855,MCULE-7692395912	359.469	FFGSZTKRTLOOAB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-104647
Cc1nc2scc(C)n2c1/C=c/1sc2nc(nn2c1=O)C(C)(C)C	EMOLS-id_324852451	359.469	VBFRVZQHXPXGMN-WDZFZDKYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-104648
Cc1nc(c2ccsc2)sc1C(=O)N(C)Cc1nnc2n1CCC2	PC-id_45887279,MCULE-7296217855,EMOLS-id_30252447,ZINC22_40092651	359.469	OGMOWYWWSYCWIZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-104649
CC(C)Cc1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324858592	359.469	OOYGEZAVJDWHTR-SDQBBNPISA-N	00000000100000000001000110000000000000000000000000000000	25-01-104650
CCNC(=NCc1nnc2n1CCC2)NCc1onc(c1)C(CC)CC	PC-id_111510267	359.469	NHFSAUWSUKEAEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104651
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1CC1	PC-id_8338441,EMOLS-id_11706068,CoCoCo_3100147,ZINC22_7235290,MCULE-2198691395	359.469	LUGRTQDZSYHKOI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-104652
CN=C(NC1CCN(C1)C(=O)C1CCCC1)NCc1nnc2n1CCC2	PC-id_109825914	359.469	DJJZGCNWCWVSTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104653
n12c(=O)c(=Cc3c(C)nc4scc(C)n34)sc1nc(C(C)(C)C)n2	MCULE-1394429473	359.469	VBFRVZQHXPXGMN-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-104654
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CC(C)C	MCULE-6039568440	359.469	OOYGEZAVJDWHTR-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-104655
N#Cc1c(NC(=O)C(Sc2nncn2C2CC2)C)sc2c1CCC2	EMOLS-id_98876992	359.469	IWPQVGKODMMRAU-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-104656
O=C(Cc1csc(c2cccs2)n1)NCCc1nnc2n1CCC2	ZINC22_58393030,EMOLS-id_33353848,PC-id_51118660,MCULE-1985392976	359.469	XQLVBBVUBNPJLH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-104657
O=C(Cc1csc(c2ccsc2)n1)NCCc1nnc2n1CCC2	PC-id_51114972,EMOLS-id_31935488,ZINC22_42502794,MCULE-4445522152	359.469	JVBHGNOSYJYUAU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-104658
s1c2CCCc2c(c1NC(=O)CSc1n(CC=C)c(nn1)C)C#N	PC-id_8110691	359.469	JJFVCKIMPPUBHM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104659
S(c1n(C2CC2)c(nn1)C)CC(=O)Nc1sc2CCCc2c1C#N	PC-id_8723068	359.469	MQQCTXPEZPVBBO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-104660
s1c2c(c(C[NH+]3CCCCC3)c1NC(=O)c1c(F)cccc1)CCC2	PC-id_3460783	359.481	OWRODAHKBXWDSW-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-104661
CCc1cc2n(c1C(=O)c1cccs1)CCC2C(=O)OCCC(C)C	SCHEMBL11659630,PC-id_20356120	359.482	CYYBGMDNJSZLQA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-104662
CCCCCCC1c2c(c(c(n2C)C(=O)c2ccc(s2)C)C)OC1=O	PC-id_88184681	359.482	DVFWEMGNVOIVJL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-104663
CCOc1cc(CCNC(=O)c2sc3c(c2)CCC3)ccc1OCC	PC-id_8106251,EMOLS-id_257846614,SCHEMBL14985301,MCULE-5298008584	359.482	UFPIWVSTVWVHAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104664
COc1cc(O)ccc1CCC(=O)c1sc(c2c1C[C@H](C2)N(C)C)C	PC-id_143295733	359.482	IEFCFGPLCJBZTI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104665
s1c2CCCc2cc1C(=O)NC(c1cc(OCC)c(OCC)cc1)C	PC-id_84941805	359.482	RSPCXNIPLSNCNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104666
s1c2CCCc2cc1C(=O)N[C@@H](c1cc(OCC)c(OCC)cc1)C	PC-id_9162176	359.482	RSPCXNIPLSNCNW-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104667
s1c2CCCc2cc1C(=O)N[C@H](c1cc(OCC)c(OCC)cc1)C	PC-id_9162177	359.482	RSPCXNIPLSNCNW-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104668
CCCCCCCCCCCc1nc2c(n1C(N)C)OS(=O)(=O)O2	PC-id_145776122	359.484	LDHKRSAWLQQUOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104669
c1(NC(=O)c2ccc(cc2)OC(C)C)c2CSCc2nn1C(C)(C)C	PC-id_4109823,EMOLS-id_5436120,ZINC22_3912426,MCULE-4018917991,ChEMBL-DNDi_CHEMBLF0529-0121,CoCoCo_4980053	359.486	GAUNZAVAMCWYNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104670
c1(NC(=O)c2ccc(cc2)OCCCCCC)n(C)nc2CSCc12	MCULE-5331650817,EMOLS-id_334565302	359.486	XUDTZNIKZHBOSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104671
c1(NC(=O)Cc2ccc(cc2)OCC)c2CSCc2nn1C(C)(C)C	MCULE-5879488787,EMOLS-id_5530899,CoCoCo_5065555,PC-id_7200104,ZINC22_4341913	359.486	XIXMXSBHVKFAHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104672
c1(NC(=O)CCCc2ccccc2)n(C(C)(C)C)nc2CS(=O)Cc12	ChEMBL-DNDi_CHEMBL1336416,MCULE-6558864663,PC-id_2160228,EMOLS-id_4933781,CHEMBL1336416	359.486	ZPTZGQVBLRCGRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104673
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)n(C)nc2CSCc12	MCULE-9453875776,EMOLS-id_334561724	359.486	RJGQVFFHGSISKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104674
CC1CC(c2n1ccn2)NS(=O)(=O)c1ccc(cc1)C1CCCCC1	EMOLS-id_101320529	359.486	LZMJOERJVCYSHU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104675
Cc1cccc(c1C)C1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100208953	359.486	BCHIHTCZPCJMFS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104676
CC1CCCN(C1c1ccc(cc1)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100229899	359.486	ZKRUIDQDJAAYTO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104677
CC1(CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_98570941	359.486	YVHXARZCMKYVMP-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-104678
CCc1ccc(cc1)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98569608	359.486	IJMFJOXPTUZUQI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104679
CCC1CN(CCC1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100228570	359.486	TTZLHOBNNQXLMA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104680
CC(C(C)C(=O)Nc1sc2CCCc2c1C#N)C(=O)NC1CCCC1	MCULE-6405987704,EMOLS-id_328231203	359.486	APTTWMRYRZRYQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104681
CC(C)(C)n1nc2c(c1NC(=O)CCCc1ccccc1)C[S@](=O)C2	PC-id_11863785,CoCoCo_4984855,ZINC22_4105692	359.486	ZPTZGQVBLRCGRX-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104682
CC(C)(C)n1nc2c(c1NC(=O)CCCc1ccccc1)C[S@@](=O)C2	ZINC22_2724861,PC-id_11877613,CoCoCo_4984856	359.486	ZPTZGQVBLRCGRX-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-104683
CC[C@@H](c1ccccc1)C(=O)Nc1c2C[S@](=O)Cc2nn1C(C)(C)C	CoCoCo_4984852,PC-id_11863783	359.486	BIHBCPJGHIHHPW-SXBQZSJRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104684
CC[C@H](c1ccccc1)C(=O)Nc1c2C[S@](=O)Cc2nn1C(C)(C)C	PC-id_11863784,CoCoCo_4984851	359.486	BIHBCPJGHIHHPW-PWECECGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104685
CC[C@@H](c1ccccc1)C(=O)Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C	PC-id_11877611,CoCoCo_4984853	359.486	BIHBCPJGHIHHPW-HWRSSNJWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104686
CC[C@H](c1ccccc1)C(=O)Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C	PC-id_11877612,CoCoCo_4984854	359.486	BIHBCPJGHIHHPW-DLUDVSRJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104687
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccccc1)C1CCCC1	PC-id_92110011	359.486	BLHSCIGWTLBOJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104688
CN([C@@H]1CCCC[C@H]1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_333909024	359.486	KSKCAJAIMRNPEM-DLBZAZTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-104689
CN([C@@H]1CCCC[C@@H]1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_333909033	359.486	KSKCAJAIMRNPEM-IAGOWNOFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104690
CN([C@H]1CCCC[C@H]1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_333909035	359.486	KSKCAJAIMRNPEM-IRXDYDNUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104691
CN([C@H]1CCCC[C@@H]1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	ZINC22_333909037	359.486	KSKCAJAIMRNPEM-SJORKVTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-104692
CN(S(=O)(=O)c1cnc2n1CCC2)C1CCCCC1c1ccccc1	EMOLS-id_101958442,MCULE-8868101199	359.486	KSKCAJAIMRNPEM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104693
n1c2CCCc2sc1CCNC(=O)C1CCCN(Cc2ccco2)C1	MCULE-1001842979,PC-id_72927267,EMOLS-id_48442440	359.486	IAMJKXJRKWSTDY-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-104694
N1(CCCC1)C(=O)CCCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-9978212214,EMOLS-id_328226311	359.486	SDJFNGNUNYCBEB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104695
N#Cc1c(NC(=O)C(N2CC(C)OC(C2)C2CC2)C)sc2c1CCC2	EMOLS-id_100023798	359.486	NTGOIDKMWHBWER-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-104696
N#Cc1c(NC(=O)C(NC2C3CCOC3C2(C)C)C)sc2c1CCC2	EMOLS-id_99602880	359.486	WMXLOEABYBRWEY-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-104697
O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CCCN(Cc2ccco2)C1	PC-id_97284259,ZINC22_95527402	359.486	IAMJKXJRKWSTDY-CQSZACIVSA-N	00000010101010000001000010000000000000000000000000000000	25-01-104698
O=C(NCCc1nc2c(s1)CCC2)[C@H]1CCCN(Cc2ccco2)C1	ZINC22_95527401,PC-id_97284258	359.486	IAMJKXJRKWSTDY-AWEZNQCLSA-N	00000010101010000001000010000000000000000000000000000000	25-01-104699
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(CC)c1ccccc1	PC-id_3561058	359.486	BIHBCPJGHIHHPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104700
c1(c(C)cnn1C(C)C1CC1)NC(=O)NCCc1sc2c(CCC2)n1	EMOLS-id_49644054,MCULE-2979995925,PC-id_74232599	359.489	ICTBMHSEKHRSER-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104701
Cc1ccc(CN2Cc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)s1	PC-id_97462019,EMOLS-id_44325423,ZINC22_96187561	359.489	QUVOMLJYVAENQB-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-104702
Cc1c([C@H]2[C@H](CNCc3nc4c(s3)CCC4)CC(=O)N2C)cnn1C	MCULE-2268527766,ZINC22_328623456,EMOLS-id_316072429	359.489	JEONPLIDPITNLD-KPZWWZAWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-104703
Cc1cnn([C@H](C)C2CC2)c1NC(=O)NCCc1nc2c(s1)CCC2	PC-id_97868311,ZINC22_97295369	359.489	ICTBMHSEKHRSER-GFCCVEGCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104704
Cc1cnn([C@@H](C)C2CC2)c1NC(=O)NCCc1nc2c(s1)CCC2	ZINC22_97295366,PC-id_97868310	359.489	ICTBMHSEKHRSER-LBPRGKRZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-104705
Cc1nccn1C[C@H]1CCCN1C(=O)Nc1nc2c(s1)CCC2(C)C	ZINC22_333534112	359.489	MRWHBNKEWNSUSF-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104706
Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1nc2c(s1)CCC2(C)C	ZINC22_333534122	359.489	MRWHBNKEWNSUSF-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104707
Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_276060447	359.489	UADOFSHHGZETAV-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104708
Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_276060450	359.489	UADOFSHHGZETAV-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104709
Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2nc3c(s2)CCC3)CC(=O)N1C	ZINC22_328627393,EMOLS-id_316078825,MCULE-4450505093	359.489	MTWHSARJWBNVMH-FZKQIMNGSA-N	00000010100000000001100010000000000000000000000000000000	25-01-104710
CCCCN(c1ccc(s1)/C=c
/c(C)nn2c1nnc2COC)CC	PC-id_68338339,SCHEMBL12649644	359.489	IYXVEFOECJOGIZ-PTNGSMBKSA-N	00000000100100000001000010000000000000000000000000000000	25-01-104711
CN(Cc1scnc1C)CC1CCN(C1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_316130325,MCULE-4467565072	359.489	UADOFSHHGZETAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104712
O=C(N1CCCC1c1c(C)n[nH]c1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005646	359.489	ZHHJYMUMLIODNL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-104713
O=C(N1CCCC1Cn1ccnc1C)Nc1sc2c(n1)C(CC2)(C)C	MCULE-2832707217,EMOLS-id_102003714	359.489	MRWHBNKEWNSUSF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104714
O=C(N1CCN(CC1)C(c1cscc1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101420397	359.489	KGSMNBNDWNRATL-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-104715
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1sccc1)C#N	PC-id_4955501	359.489	TXLPCNVFANIIAQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-104716
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/c1sccc1)C#N	PC-id_6235293	359.489	TXLPCNVFANIIAQ-VOTSOKGWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-104717
s1c(C2N(CCC2)C(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1	PC-id_60273746	359.489	VLVNFAQVOFNMCP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-104718
s1c(N(CCCC)CC)ccc1C=c1c2n(nc1C)c(nn2)COC	PC-id_77483980	359.489	IYXVEFOECJOGIZ-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-104719
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1cccs1	PC-id_109721445	359.492	JSWXMJGTLRHZKV-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-104720
CN=C(NC1CCN(CC1)c1cccs1)NCc1nnc2n1CCC2	PC-id_109655825	359.492	FMBVUBUKNSGILA-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-104721
CC1CCN(CC1)C1CCC(CC1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101662547	359.509	MUFLFGGBWGOXJX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104722
CC1CCN(CC1)CC1CCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579340	359.509	HOJILLNXSAUKGS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104723
O=C(N1CCCC1CCC1CCCCC1)NC(c1nnc2n1CCC2)C	EMOLS-id_100516511	359.509	ZDZCWAROIWNVPD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104724
O=C(N1CCCC(C1)CN1CCCCC1C)NC1CC(n2c1ncc2)C	EMOLS-id_101579256	359.509	ZSKQEPXUJUMUMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104725
O=C(N1CCCN(CC1)CC1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101581065	359.509	CUQMLONXIYDHCD-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-104726
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCCC1)N1CCCCC1	EMOLS-id_101543923	359.509	YQAOJDGTRDIRSH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104727
O=C(NCc1nnc2n1CCC2)NCC1(CCCCC1)C1CCCCC1	EMOLS-id_98383701	359.509	XZDDXUZDRRGFGE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104728
s1c2CCCc2cc1C(=O)NNC(=S)Nc1c(CC)cccc1C	PC-id_8359401	359.509	XVVRPRLBRBZOCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104729
s1c2CCCc2cc1C(=O)NNC(=S)Nc1ccc(C(C)C)cc1	PC-id_9271788	359.509	ZYZJRLLGRVKWLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104730
s1c2CCCc2c(c1NC(=O)CCN(Cc1sccc1C)C)C#N	PC-id_51303012	359.509	IUPXPHIAEYDDIH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-104731
s1c2CCCc2c(c1NC(=O)CCN(C(c1sccc1)C)C)C#N	PC-id_51303278	359.509	BSHUCRHGHSHGKC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-104732
CN(Cc1nc2c(s1)CCC2)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC22_328625144,EMOLS-id_112029952,MCULE-8863410735	359.532	CUEHLBIXFNUTSQ-IFXJQAMLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-104733
Brc1cc(C(=O)Nc2onc3c2CSC3)c(Cl)cc1	PC-id_49719054	359.626	VMQQCIVZYNLGFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104734
c1(nnc2SCCn12)NC(=O)c1cc(Br)ccc1Cl	EMOLS-id_12159705,PC-id_41576374,CoCoCo_5085679,MCULE-4833356579,ZINC22_10609781	359.629	BGPGGIJLMPNSSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104735
Fc1cc(Br)c(cc1C(=O)c1sc2c(c1)CCC2)Cl	PC-id_113712209	359.641	UWNZFZBDFVTLNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104736
O=C(c1ccc(c(c1F)Cl)Br)c1sc2c(c1)CCC2	PC-id_113874906	359.641	INQFMJORWAMFSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104737
BrC(c1sc2c(CCC2)c1)c1cc(c(F)cc1Cl)C	PC-id_81050897	359.684	SQMAXZBCNXDVEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104738
BrC(c1sc2c(CCC2)c1)Cc1c(Cl)cccc1F	PC-id_63518662	359.684	LTYRJRFVHZZJDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104739
c12ncnn1C(C(=O)N2)CC(=O)Nc1ccc(c(C(F)(F)F)c1)Cl	STOCK6S-45416,EMOLS-id_17098109,PC-id_135635943,MCULE-3157841554	359.691	VUCFXXGRZHEDJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104740
O=C(C[C@@H]1C(=O)Nc2ncnn12)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC22_13688830,PC-id_135924916	359.691	VUCFXXGRZHEDJD-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104741
O=C(C[C@H]1C(=O)Nc2ncnn12)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC22_13688833,PC-id_135924917	359.691	VUCFXXGRZHEDJD-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-104742
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1Cl	SCHEMBL18740041	359.731	FYZYITMDSZCPKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104743
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)Cl	SCHEMBL18740092	359.731	NDAQFTCFEUCGQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104744
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)Cl	SCHEMBL18740218	359.731	GFPDRCMARJEVSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104745
Clc1c(cc(NC(=O)NCc2n3CCCc3nn2)cc1)C(F)(F)F	PC-id_60446502	359.734	CXFBXGSOIPLVQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104746
CC(Oc1cc(/N=c/sc(=O)n3n2CC(C3)O)c(cc1Cl)F)C	SCHEMBL9130290	359.804	OBSRDMSKZQZOIX-GHRIWEEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-104747
CC(Oc1cc(N=c2sc(=O)n3n2CC(C3)O)c(cc1Cl)F)C	SCHEMBL9130294	359.804	OBSRDMSKZQZOIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104748
Clc1c(OC(C)C)cc(/N=c/2sc(=O)n3n2CC(O)C3)c(F)c1	PC-id_19937143	359.804	OBSRDMSKZQZOIX-LGMDPLHJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104749
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)Nc1cccc(Cl)c1	EMOLS-id_207862860,MCULE-4356610400	359.81	VPVLMXMFRBXKGT-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-104750
Clc1cc(N2CC(CC2=O)C(=O)NCc2n3CCCc3nn2)ccc1	MCULE-2776718135,EMOLS-id_24038616,PC-id_42891807	359.81	QPCHVTJAFIXHHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104751
O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	CoCoCo_4775910,PC-id_31821510,ZINC22_24444557	359.81	QPCHVTJAFIXHHT-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-104752
O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	ZINC22_24444560,PC-id_31821512,CoCoCo_4775909	359.81	QPCHVTJAFIXHHT-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104753
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-2302704690,EMOLS-id_322623566	359.83	VTAUYKVIRSHTMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104754
Clc1c(c2noc(c2C(=O)Nc2sc3CCCc3n2)C)cccc1	PC-id_4462460	359.83	NBURPGPJODZENU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104755
Clc1ccc(cc1)C(c1cccs1)NC(=O)c1cc2n(n1)CCO2	EMOLS-id_316199949,MCULE-2294252629	359.83	DYDDZWXZTMVPHO-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-104756
O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1cc2n(n1)CCO2	ZINC22_377731373	359.83	DYDDZWXZTMVPHO-INIZCTEOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-104757
O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)c1cc2n(n1)CCO2	ZINC22_377731374	359.83	DYDDZWXZTMVPHO-MRXNPFEDSA-N	00000010100100110001000010000000000000000000000000000000	25-01-104758
O=C(NCc1nnc2n1CCC2)c1csc(c2ccc(Cl)cc2)n1	ZINC22_22192166,PC-id_30094742,EMOLS-id_29686947,MCULE-6187456633,CoCoCo_4560529	359.833	IFCFTDPWIQMJLX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104759
CCCCc1ccc(cc1)C(=O)c1c(Cl)cc2n1CCC2C(=O)OC	PC-id_20528168,SCHEMBL11270587	359.847	WQDHMKFOPOYHRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104760
CCCCc1c(C(=O)c2ccc(cc2)C)n2c(c1Cl)C(CC2)C(=O)O	SCHEMBL11003788,PC-id_20404973	359.847	ULDNDEIIMINIFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104761
CCCCc1c(C(=O)c2ccccc2)n2c(c1Cl)C(CC2)C(=O)OC	SCHEMBL11007273,PC-id_20405084	359.847	WVMHMLOCJMKUOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104762
CC(CCOC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)Cl)C	SCHEMBL11603934,PC-id_20351670	359.847	KPOSSSZZKGEJRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104763
Clc1ccc(cc1)C1(CCOCC1)CNC(=O)c1occ2c1CCC2	EMOLS-id_318165549	359.847	HKBRMXHGDAYJNL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-104764
Clc1cccc(c1)C1(CCOCC1)CNC(=O)c1occ2c1CCC2	MCULE-8192925551,EMOLS-id_177254327	359.847	ASODTZGKNOZUTH-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-104765
Clc1ccc(cc1)C1(CCOCC1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318167945	359.85	UUFICPUONTVXPS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104766
Clc1ccc(cc1)CC1(CCCOC1)NC(=O)c1cnc2n1CCC2	EMOLS-id_318326369	359.85	ZKXAGKOUNWVEOS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104767
Clc1ccccc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324830972	359.853	AQAVGXSCSDOMKM-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-104768
Clc1cccc(c1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101434170	359.853	UHVBRAYPUAVKSB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104769
Clc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324829946	359.853	NMXMOWUFPVLMJO-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-104770
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cccc(Cl)n1)C2	EMOLS-id_313735634,ZINC22_1565551140	359.853	JYGVPCQQPRFHER-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-104771
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)Cc1cccs1	MCULE-6690151232	359.853	AQAVGXSCSDOMKM-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-104772
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)Cc1cccs1	MCULE-7716590419	359.853	NMXMOWUFPVLMJO-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-104773
O=C(N1CCN(CC1)c1ccccc1Cl)NC1CC(n2c1ncc2)C	EMOLS-id_101434167	359.853	LROMFPBRBVMVQY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104774
O=C(NCc1nnc2n1CCC2)NC1(c2ccc(Cl)cc2)CCCC1	MCULE-5238673798,ZINC22_72270881,PC-id_72146258,EMOLS-id_42873795	359.853	OZQNYPSJVXYGDE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104775
Clc1ccc(cc1)N1CCN(CC1)C(=NCc1nnc2n1CCC2)N	PC-id_111039275	359.856	BAMROLUXYDQXQZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104776
C1CC2=C(C1)N(N=C2I)I	PC-id_148384241	359.862	LOSTXDYMWLBRED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104777
Clc1ccc([C@@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_9336520	359.873	FKGHZKUIPFDJLU-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-104778
Clc1ccc([C@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_9336524	359.873	FKGHZKUIPFDJLU-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104779
Clc1ccc(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_2698840	359.873	GRQPJKXDNXLMPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104780
Clc1ccc(C(NCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_84983891	359.873	FKGHZKUIPFDJLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104781
Clc1cc([C@@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)ccc1	PC-id_9331752	359.873	DXBOIBVVFJRMNW-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-104782
Clc1cc([C@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)ccc1	PC-id_9331758	359.873	DXBOIBVVFJRMNW-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104783
Clc1cc(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)ccc1	PC-id_8111610	359.873	HMVZBSXTKMCXOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104784
Clc1cc(C(NCC(=O)Nc2sc3CCCc3c2C#N)C)ccc1	PC-id_84982367	359.873	DXBOIBVVFJRMNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104785
Clc1c([C@@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_9307311	359.873	AFGJLLSVLPDSAB-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-104786
Clc1c([C@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_9307313	359.873	AFGJLLSVLPDSAB-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104787
Clc1c(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_8112012	359.873	ZCQHAZQLMRJMGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104788
Clc1c(C(NCC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_84975836	359.873	AFGJLLSVLPDSAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104789
Clc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)c(n1)C	PC-id_61053373	359.875	NHZVKCYYAXDDIC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104790
Clc1nc(cc(c1)Sc1ccccc1)Nc1sc2c(n1)CCC2	PC-id_144988148	359.896	JQKGXUSFBKHCKI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-104791
CCCSCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)C3=CN=CC=C3	PC-id_154794207	360.097	BORFDBRQRCBFJI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104792
CSCCCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)C3=CN=CC=C3	PC-id_154797869	360.097	KXKJYTQTRZVJQH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104793
CCOC(=O)C1=C2CCCN2C(=C1C)C(=O)C(=O)N[C@@H](C)C(F)(F)F	PC-id_154663344	360.13	IQTMKLFVTKCOAG-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-104794
CC(=O)C1=CC2=C(S1)N=C(C2)C=C3CCN(CC3)C(=O)OC(C)(C)C	PC-id_164988085	360.151	SYDQNMPDWRGDCU-UHFFFAOYSA-N	00000011100010000000000010000000000000000000000000000000	25-01-104795
C1Cc2c(C1)sc(n2)Nc1c(c(=O)[nH]cn1)I	PC-id_136971059	360.174	XHYRPYHHNZANDR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-104796
O=C(c1cn[nH]c1I)Nc1sc2c(n1)CCC2	MCULE-8024484465,EMOLS-id_257991165	360.174	SPVSYKPUVFUUFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104797
CC1=CC(=CC=C1)CN2CC3=C(C2(C)C)NN=C3NC(=O)C4=CC=CC=C4	PC-id_164617876	360.195	SQPDOVMXHLHLEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104798
CC(C1=CC=CC=C1)(C2=NNC3=C2CN(C3)CCC4=CC=CC=C4)C(=O)N	PC-id_153863720	360.195	SXXDVSAPWGMMKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104799
Brc1ccc(c(c1)F)CS(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_319756842	360.202	LJMADIVDVNJZPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104800
Brc1ccc(c(c1)F)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318199273	360.202	DQOAMDUIIHDCPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104801
Brc1cc(ccc1F)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-4381323532,EMOLS-id_316422037	360.202	GQHUJWXUUVKFQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104802
Brc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)F	EMOLS-id_318118590	360.202	HEFDRZRPZAKLKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104803
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccc(cc1)C=C	PC-id_20253921,SCHEMBL10815779	360.202	JNQYFMAOJOOLRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104804
Fc1cc(ccc1Br)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318368379	360.202	MMBSXYWSFAELHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104805
Fc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)Br	EMOLS-id_316664130	360.202	YHXABWTZEYGXQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104806
CCOC(=O)c1c(Br)nn2c1N(CC2)C(=O)OC(C)(C)C	SCHEMBL18740011	360.204	AZDXIDHWVZGKBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104807
C[C@@H]1CC2=C(C1C)C(=NN2CC(=O)C)C(=C)N3CCN(CC3)C(=O)CO	PC-id_153575401	360.216	COGNBYAVIPQBRF-PUODRLBUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104808
Clc1c(NC(=O)c2n3CCS(=O)(=O)c3nc2C)c(Cl)ccc1	PC-id_15163453	360.216	KOPAKADJMIIEQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104809
Cn1c(cc(c1Cl)Cl)C(=O)N1Cc2c(C1)sc(c2)C(=O)NO	PC-id_88974593,SCHEMBL12883241	360.216	HVDSCEYAQOHSFZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-104810
CCC1(COC1)C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_320169168,MCULE-9576655482	360.224	GDWZJACENNHZEG-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-104811
COC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C1CC1	EMOLS-id_319855083,MCULE-3600139622	360.224	HUMKSBJQBQAQTC-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-104812
CC(C1CCCOC1)n1nc2CCC(C)c2c1I	MCULE-8616655591,EMOLS-id_330962621	360.234	DHDOFXYUYYQXHP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104813
CC(C1CCOCC1)n1nc2CCC(C)c2c1I	MCULE-4277356178,EMOLS-id_330962109	360.234	DAJMQRRMLLUARW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104814
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)cnc1	PC-id_61795594	360.25	KXKPHSGSHQRPGJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104815
CC1CC(c2n1ccn2)NS(=O)(=O)c1c(Cl)ccc(c1Cl)C	EMOLS-id_101320445	360.259	LSVFRSMPCPJQQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104816
Cc1ccc(c(c1Cl)S(=O)(=O)Nc1n(C)nc2c1CCC2)Cl	EMOLS-id_98227967	360.259	CYFGQVMPPZHWLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104817
Clc1cc(cc(c1)Cl)CS(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_318073393	360.259	UITKSNVFTNQXJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104818
COC(=O)[C@@H]1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19584042	360.264	XKODAKJPCADCSN-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-104819
BrC(C(C)C)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_43346875	360.267	OHJHICGHPXPPAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104820
BrC(C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)CC	PC-id_62856298	360.267	JGWMALMSWDXSDP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104821
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(Br)(C)C	PC-id_114327381	360.267	FPCMAGGLVHFUMP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-104822
CCCCCCCCC(CCCCCC)CN1C=C2C(=C1O)C=NC2=O	PC-id_151416269	360.278	XDSPRVIRAGOIBW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-104823
NC(=O)c1c2N(CCn2nc1C(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758762	360.282	FLVBAOKSKGACFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104824
Brc1cccc(c1)C1(CNC(c2nn3c(c2)CCC3)C)CC1	EMOLS-id_318187837	360.291	AERMIYHPDBQLFV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-104825
NC(=O)c1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1C(F)(F)F	PC-id_68987833,SCHEMBL4287251	360.312	OOEHFNIJEBLXMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104826
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1OC)N(=O)=O)CC	EMOLS-id_32261613,MCULE-7148222462,SPECS-id_AN-153/NB20900,PC-id_135629378	360.325	HVBQMYUCPFTYTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104827
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)N2	ZINC22_30874514,PC-id_135938041	360.325	HVBQMYUCPFTYTD-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104828
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)N2	ZINC22_30874520,PC-id_135938042	360.325	HVBQMYUCPFTYTD-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-104829
Fc1cc(CNC(=O)C2CCc3ncsc23)ccc1OC(F)(F)F	SCHEMBL15903536,BindingDB_PC-id_78318283,PC-id_78318283,BindingDB-id_412910	360.327	RKEGYGDGAFBZHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104830
c1(F)sc(C=NNC(=O)Cn2nc(C(F)(F)F)c3CCCc23)cc1	MCULE-1285778890	360.33	DLADXNYGUYULBS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104831
Fc1ccc(/C=N/NC(=O)Cn2nc(c3CCCc23)C(F)(F)F)s1	EMOLS-id_54825023	360.33	DLADXNYGUYULBS-KPSZGOFPSA-N	00000010100100000001000010000000000000000000000000000000	25-01-104832
O=C(c1c[nH]c(=O)n(c1=O)Cc1ccco1)Nc1onc2c1CSC2	PC-id_121025808	360.345	RCLYNJXJIANTNU-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-104833
S(=O)(=O)(OC1Cc2n(nc(c2C1)C)Cc1ccccc1)C(F)(F)F	PC-id_58713643	360.351	MKISSCIDVLBTGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104834
O=C(c1ccc(c(c1)F)F)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98019496	360.358	OCYWFYUBOMXSJI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104835
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCOCC2)cc1)C	PC-id_78413380	360.364	DZQQLJLOVPBPAW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104836
C[C@]1(COc2ccc(N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	CHEMBL218543,PC-id_6483574	360.365	DZQQLJLOVPBPAW-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104837
CCCCCCCCC1=NS(=O)(=O)c2c1c(C)[se]c2C	PC-id_140648052	360.374	OSKQNCHDQOIBCN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-104838
COC(=O)c1cc(OC(=O)c2cc3c(s2)CCC3)cc(C(=O)OC)c1	CoCoCo_3311281,MCULE-3517275636,PC-id_8001960,ZINC22_6581080,EMOLS-id_27354213	360.381	QEXWGROJPIYUCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104839
c12CN(Cc1nn(CCF)c2C(=O)N(C)C)C(=O)OCc1ccccc1	MCULE-3973959177,EMOLS-id_324351340	360.383	VFMRSHJIEFJPAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104840
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)COc3ccc(cc3)F)C2)n1	MCULE-3995271926,EMOLS-id_316327229	360.383	YROIYNHJIPUNSG-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104841
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)COc3ccc(cc3)F)C2)n1	MCULE-6772004213	360.383	YROIYNHJIPUNSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104842
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(c(F)c2)C)n1	MCULE-5154998053	360.383	IPJPDCUHVVJJND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104843
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(c(F)c2)C)n1	MCULE-8917527301,EMOLS-id_316333886	360.383	IPJPDCUHVVJJND-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104844
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3ccc(cc3)F)C2)n1	MCULE-2069360419,EMOLS-id_316336946	360.383	DQOHGENYUBGUDF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104845
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3cccc(F)c3)C2)n1	MCULE-2133946957,EMOLS-id_316333369	360.383	OWSVFRRVIYJGFO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104846
c1(C(=O)NCCOC)cc2n(CC(NC(=O)Cc3ccc(cc3)F)C2)n1	MCULE-3032542487	360.383	DQOHGENYUBGUDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104847
c1(C(=O)NCCOC)cc2n(CC(NC(=O)Cc3cccc(F)c3)C2)n1	MCULE-1999709888	360.383	OWSVFRRVIYJGFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104848
c1(C(=O)NCCOC)cnn2CC(Cc12)NC(=O)c1ccc(c(F)c1)C	MCULE-9106127357	360.383	XZAQEXKWZYJLJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104849
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccc(c(F)c1)C	EMOLS-id_316255733,MCULE-6771487725	360.383	XZAQEXKWZYJLJF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104850
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)Cc3ccc(cc3)F)Cc12	MCULE-4312394277,EMOLS-id_317424224	360.383	FPHVVRCKCJRRJK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104851
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)Cc3cccc(F)c3)Cc12	MCULE-6464302708,EMOLS-id_316323125	360.383	LPEWTRALJOTINB-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104852
c1(C(=O)NCCOC)cnn2CC(NC(=O)Cc3ccc(cc3)F)Cc12	MCULE-9658288934	360.383	FPHVVRCKCJRRJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104853
c1(C(=O)NCCOC)cnn2CC(NC(=O)Cc3cccc(F)c3)Cc12	MCULE-4812690147	360.383	LPEWTRALJOTINB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104854
CCOC(=O)n1nc2c(c1NC(=O)Cc1ccc(cc1)F)CNC2(C)C	PC-id_58015712,SCHEMBL12879117	360.383	BQXNYFHSXFBQNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104855
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccn1)C(=O)OC	PC-id_19224264,MCULE-5007208866	360.384	XZYYPWDONKXMBS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104856
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cccnc1)C(=O)OC	BAS-01292121,SPECS-id_AT-225/NB59662,MCULE-2959622303,PC-id_2789266,EMOLS-id_603049	360.384	GPKRCIPUYOWOBV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104857
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccncc1)C(=O)OC	PC-id_2789562,PD104734,BAS-01392827,STOCK2S-62263,SPECS-id_AT-225/NB59838,MCULE-3650084599,SCHEMBL8289374,EMOLS-id_603393	360.384	AGNPKXDFPFMJCS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104858
c1(N=Cc2cccc(c2O)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-3411443024,ChEMBL-DNDi_CHEMBL1377429	360.384	DLXCWHRBVRNYAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104859
c1(NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCC2)c1C(=O)OC	SPECS-id_AK-968/12975027,PC-id_1010603,ZINC22_670986,MCULE-5243288863,TIMTEC139091,EMOLS-id_2197830,CoCoCo_899867	360.384	FAVMEZLJDAYIOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104860
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)OC	TIMTEC209401,ZINC22_1217477,PC-id_1370738,MCULE-2458000167,EMOLS-id_2126151,ChEMBL-DNDi_CHEMBL3366-6976,CoCoCo_1740053	360.384	IBOJHUNSFNVEBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104861
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1754299,ZINC22_1188490,EMOLS-id_2017234,ChEMBL-DNDi_CHEMBL3759-1358,PC-id_1350603,MCULE-4909387692	360.384	WXDXWBZUOMXBIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104862
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AE-848/34294011,ZINC22_727226,SPECS-id_AN-153/I121320,PC-id_1049777,MCULE-2332325142,CoCoCo_132471,EMOLS-id_1274392,SPECS-id_AT-084/J158840,ChEMBL-DNDi_CHEMBL1000-0694,BAS-00781717,Chemmine_7342	360.384	GXLYPHDDPJOMRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104863
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	ZINC22_835692,PC-id_1106419,TIMTEC514373,MCULE-4828294912,CoCoCo_134997,STOCK1S-86443,EMOLS-id_1277444,BAS-00795836	360.384	VXODXKQLDDALRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104864
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)OC	MCULE-3612772519,ZINC22_1931262,PC-id_1657667	360.384	IFNGAYPCMMGHBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104865
CCOC(=O)c1c2CCCc2sc1/N=C/c1cccc(c1O)[N+](=O)[O-]	ZINC22_1798775,PC-id_135648539,STOCK1S-77207,EMOLS-id_26257226	360.384	DLXCWHRBVRNYAP-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104866
CCOC(=O)c1c(NC(=O)c2cccc(n2)C(=O)O)sc2CCCc12	EMOLS-id_328037435,MCULE-1888442763	360.384	QZFHZZMKEDBTHZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104867
CCOC(=O)c1c(sc2c1CCC2)N=Cc1c(ccc(c1)[N+](=O)[O-])O	PC-id_135719449	360.384	PKBZPWMSTGICAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104868
COC(=O)c1c(NC(=O)c2cccnc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_187526,ZINC22_622241,PC-id_978450	360.384	GPKRCIPUYOWOBV-SNVBAGLBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104869
COC(=O)c1c(NC(=O)c2cccnc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_622242,PC-id_978451,CoCoCo_187525	360.384	GPKRCIPUYOWOBV-JTQLQIEISA-N	00000010100000101000000010000000000000000000000000000000	25-01-104870
COC(=O)c1c(NC(=O)c2ccncc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_196841,ZINC22_622332,PC-id_978502	360.384	AGNPKXDFPFMJCS-JTQLQIEISA-N	00000010100000101000000010000000000000000000000000000000	25-01-104871
COC(=O)c1c(NC(=O)c2ccncc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_978501,ZINC22_622330,CoCoCo_196842	360.384	AGNPKXDFPFMJCS-SNVBAGLBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104872
COC(=O)c1c(NC(=O)Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_5815877,PC-id_4386204	360.384	OAUSJMNEXNEPLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104873
COC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCC2	ZINC22_127996159	360.384	CUMUHMAPKVQDQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104874
COC(=O)c1c(NC(=O)COC(=O)c2ccncc2)sc2c1CCC2	PC-id_2362943,MCULE-9373089626,CoCoCo_3032502,ZINC22_3245663,EMOLS-id_3039319	360.384	QSPCOJAQQQHJIP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-104875
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cccc1[N+](=O)[O-])C	PC-id_7238721	360.384	BFWOOFACZQTVLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104876
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(ccc([N+](=O)[O-])c1)C	PC-id_7291824	360.384	ANIGJQTXOVSPEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104877
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cc([N+](=O)[O-])cc1)C	PC-id_40924871	360.384	OHVYGISXIPEXRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104878
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc([N+](=O)[O-])cc1)C	PC-id_45637950	360.384	WOFZMVUVJPWFIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104879
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(c([N+](=O)[O-])ccc1)C	PC-id_45637923	360.384	FOHYDQVGYIYXHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104880
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])c(cc1)C	PC-id_45637981	360.384	FMXMYJJIRROPII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104881
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc([N+](=O)[O-])ccc1)C	PC-id_5210797	360.384	SMTOLJAWHBOTAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104882
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c([N+](=O)[O-])cccc1)C	PC-id_4297158	360.384	HBOPYDATBIPJFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104883
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(cc1)C	PC-id_7291982	360.384	VYEDVPSSMKDUCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104884
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C	PC-id_51451968	360.384	WOFZMVUVJPWFIR-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-104885
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C	PC-id_51451969	360.384	WOFZMVUVJPWFIR-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104886
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1)C	PC-id_51451951	360.384	SMTOLJAWHBOTAR-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-104887
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1)C	PC-id_51451953	360.384	SMTOLJAWHBOTAR-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104888
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c([N+](=O)[O-])cccc1)C	PC-id_7291939	360.384	HBOPYDATBIPJFC-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-104889
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c([N+](=O)[O-])cccc1)C	PC-id_7291940	360.384	HBOPYDATBIPJFC-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104890
s1c2c(CCC2)c(c1N/C=C/1C=C([N+](=O)[O-])C=CC1=O)C(=O)OCC	PC-id_23770559	360.384	IJYSIWQMCMPOSL-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-104891
s1c2c(CCC2)c(c1NC=C1C=C([N+](=O)[O-])C=CC1=O)C(=O)OCC	PC-id_74108933	360.384	IJYSIWQMCMPOSL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-104892
s1c2c(CCC2)c(c1N/C=C
/C(=O)C(=CC=C1)[N+](=O)[O-])C(=O)OCC	PC-id_16682205	360.384	ZAEWAVQKCPGAQQ-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-104893
s1c2c(CCC2)c(c1N/C=C/1C(=O)C(=CC=C1)[N+](=O)[O-])C(=O)OCC	PC-id_5522444	360.384	ZAEWAVQKCPGAQQ-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-104894
s1c2c(CCC2)c(c1NC=C1C(=O)C(=CC=C1)[N+](=O)[O-])C(=O)OCC	PC-id_6762133	360.384	ZAEWAVQKCPGAQQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-104895
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(O)cc1)C(=O)N	PC-id_4215832	360.384	KZBRTOVHWGVLSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104896
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(O)ccc1)C(=O)N	PC-id_2628130	360.384	ACSBIEPVBUJUKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104897
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)cccc1)C(=O)N	PC-id_2629630	360.384	MEHKFFWCTYXYSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104898
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1occc1)C(=O)N	PC-id_4012284	360.384	DFJGXMROWUXZGE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-104899
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1occc1)C(=O)N	PC-id_5986312	360.384	DFJGXMROWUXZGE-VOTSOKGWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-104900
CCNC(=O)Nn1nc(c2c1C(C)(C)NC2)NC(=O)c1cccc(c1)F	PC-id_68441508,SCHEMBL2921158	360.386	PJQDKLPNRRMXEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104901
CCNC(=O)Nn1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(cc1)F	SCHEMBL2921157,PC-id_68441507	360.386	VPUPRAKZLQFSSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104902
Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cn1	PC-id_3631077,MCULE-4880452102,EMOLS-id_31306305,ZINC22_5636973	360.388	PNJJETYGTPBVKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-104903
s1c2CCCc2cc1C(=O)NNC(=O)c1c(NC)ccc([N+](=O)[O-])c1	PC-id_27020069	360.388	LCZBYNTYXZLSPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104904
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccc(F)c(F)c1)C2	ZINC22_96084515,PC-id_97405341,EMOLS-id_46182039	360.401	CJCQDEFFEDTNGN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104905
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)N1CCOCC1	EMOLS-id_44303586,ZINC22_96146806,PC-id_97442333	360.403	SPDYCGAMHVHFPP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-104906
c1(NC(=O)C2CC(=O)N(c3ccccc3F)C2)n(C)nc2CSCc12	PC-id_52996981,EMOLS-id_35790975,STOCK7S-16721,MCULE-3108751555	360.406	ITWZQENUNMWEFI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104907
Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CSC2	PC-id_52902930,ZINC22_61721979	360.406	ITWZQENUNMWEFI-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104908
Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccccc3F)C1)CSC2	PC-id_52902931,ZINC22_61721980	360.406	ITWZQENUNMWEFI-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-104909
COc1ccccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-9196256016,PC-id_46861273,EMOLS-id_31548244	360.406	FTZQKSLLUIVHHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104910
COc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340397,ZINC22_51364446	360.406	FTZQKSLLUIVHHJ-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104911
COc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364445,PC-id_52340396	360.406	FTZQKSLLUIVHHJ-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104912
COc1cccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	PC-id_46861274,MCULE-9788992149,EMOLS-id_31548246	360.406	ADXUJJLNBZLAMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104913
COc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340399,ZINC22_51364448	360.406	ADXUJJLNBZLAMT-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104914
COc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364447,PC-id_52340398	360.406	ADXUJJLNBZLAMT-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104915
s1c2CCCc2cc1C(=O)NNC(=O)COc1c(OCC)cccc1	PC-id_26872408	360.427	UGRCSWRJZTUOGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104997
COc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	PC-id_46861275,MCULE-8656998044,EMOLS-id_31548248	360.406	MAHWFIYWGOUTNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104916
COc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340400,ZINC22_51364449	360.406	MAHWFIYWGOUTNA-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104917
COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340401,ZINC22_51364450	360.406	MAHWFIYWGOUTNA-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104918
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1C(=O)O	EMOLS-id_328218491,MCULE-5424738688	360.406	ACPSGRVQRVEMAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104919
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(c1)C(=O)O	EMOLS-id_328220016,MCULE-6183703537	360.406	NVHBJYFMWVLRBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104920
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)O	MCULE-1133729130,EMOLS-id_328220532	360.406	JHGJDRXSZXALRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104921
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)NCc1ccccc1	PC-id_139746952	360.406	DHLBSYYDHXIOME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104922
c1(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)c2CCCc2[nH]n1	EMOLS-id_55636508,ZINC22_219589526,MCULE-2881074599	360.408	HGQRHSWSXYNPBG-HZPDHXFCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104923
c1(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)c2CCCc2[nH]n1	ZINC22_222403708,MCULE-6763886304,EMOLS-id_55668845	360.408	WDFWAEKLPNJVFE-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104924
Cc1c(c(no1)C)COC1CCOCC1NC(=O)c1n[nH]c2c1CCC2	PC-id_91783120	360.408	WDFWAEKLPNJVFE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104925
Cc1c(c(no1)C)COC1COCCC1NC(=O)c1n[nH]c2c1CCC2	PC-id_91771923	360.408	HGQRHSWSXYNPBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104926
Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2	ZINC22_1565511006	360.408	HGQRHSWSXYNPBG-HOTGVXAUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-104927
O=C(NCc1n2CCCc2nn1)CCc1cc(OC)c(OC)c(OC)c1	PC-id_52024816	360.408	IBJYHPXRPIMTQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104928
C1c2c(CN1C(=O)Cc1ccccc1)n(nc2)NC(=O)Cc1ccccc1	PC-id_91422561	360.409	WWJAPEHHUXNWNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104929
C1Cc2c(C(=O)NN=Cc3cc(OCc4ccccc4)ccc3)n[nH]c2C1	PC-id_3993720,MCULE-8041314339	360.409	LDUGWTARVRKYQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104930
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccccc1	MCULE-7706535614	360.409	VGJITJITFURTFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104931
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccccc1	EMOLS-id_316320059,MCULE-4130427886	360.409	VGJITJITFURTFG-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104932
Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nnc3n2CCC3)cc1	MCULE-7157988740,EMOLS-id_24041354,CoCoCo_4651290,GD-id_ZINC32905798,ZINC22_32905798,PC-id_40142284	360.409	KYNYSEAIUJNLEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104933
N#Cc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109458	360.409	DTOJJKMOTUYZPX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-104934
N#Cc1cccc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109459	360.409	FXKOJLYFBXCOTR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-104935
O=C(c1ccccc1C(=O)C)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2917315,PC-id_68440271	360.409	QQYVIQJKQQOVIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104936
O=C(c1ccc(cc1)C(=O)C)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2920076,PC-id_68441170	360.409	FCMSTICJGLCEGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104937
O=C(c1n[nH]c2c1CCC2)N/N=C/c1cccc(c1)OCc1ccccc1	PC-id_9642605,SPECS-id_AT-225/NB41651	360.409	LDUGWTARVRKYQR-LPYMAVHISA-N	00000010100000110001000010000000000000000000000000000000	25-01-104938
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccccc2)C1)Cc1ccccc1	SCHEMBL2919277,PC-id_9841817	360.409	ZVDIPBZWDCEHPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104939
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccc(cc2)c2ccccc2)C1)C	SCHEMBL2922822,PC-id_10155432	360.409	VUYGUYGZXAILAT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-104940
O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1n[nH]c2CCCc12	PC-id_3377431	360.409	YXOHGHROPKIOFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104941
S1C(=CCP(=O)(OCC)OCC)C(O)(n2c1ncc2)C(C)(C)C	PC-id_14062767	360.409	ZCECXMNSOADQTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104942
S1C(C(n2c1ncc2)CP(=O)(OCC)OCC)C(=O)C(C)(C)C	PC-id_14062765	360.409	YXYDNOGCBHITGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104943
S1[C@H]([C@@H](n2c1ncc2)CP(=O)(OCC)OCC)C(=O)C(C)(C)C	PC-id_21574667	360.409	YXYDNOGCBHITGX-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104944
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1cn(nc1C)CC	EMOLS-id_316323124,MCULE-2574864515	360.411	LSXQHXNNAJJXTL-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104945
c1(C(=O)N[C@@H]2C[C@H](C2)c2nnc(CO)n2CCOC)c2CCCc2[nH]n1	EMOLS-id_55710270,ZINC22_253378440,MCULE-3700317517	360.411	FGCLOALDWHMNPE-XYPYZODXSA-N	00001010100000000001100010000000000000000000000000000000	25-01-104946
Cc1c(ccc(c1NCC=O)Nc1c(n2CCCn2c1=O)N)NCCO	PC-id_90925888	360.411	PERCTOARNHFQJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104947
CC1C(=NCCO)C=CC(=Nc2c(n3CCCn3c2=O)N)C1=NCCO	PC-id_91143464	360.411	KYWORRNFGRLXON-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-104948
COCCn1c(nnc1C1CC(C1)NC(=O)c1n[nH]c2c1CCC2)CO	PC-id_91797269	360.411	FGCLOALDWHMNPE-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-104949
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1cn(nc1C)CC	MCULE-9104808965	360.411	LSXQHXNNAJJXTL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104950
O=C(Cn1cnc(cc1=O)c1cccs1)Nc1onc2c1CSC2	PC-id_121090955	360.411	NGSPGNSFGQASBY-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-104951
O=C(Cn1nc(ccc1=O)c1cccs1)Nc1onc2c1CSC2	PC-id_121049975	360.411	CPGYUXGNDHBAFG-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-104952
OCCNC1=C(C)/C(=N/CCO)/C=C/C/1=Nc1c(=O)n2n(c1N)CCC2	SCHEMBL3861553	360.411	POSXQOPPOOZBRJ-JIDNDCLASA-N	00000010100011000001000010000000000000000000000000000000	25-01-104953
OCCOC1=C/C(=N/c2c(=O)n3n(c2NC(C)C)CCC3)/C(=CC1=N)N	SCHEMBL3853624	360.411	ZRCDKFDQTXQPPG-QDDQFMKZSA-N	00000010100011000001000010000000000000000000000000000000	25-01-104954
OCCOC1=CC(=Nc2c(=O)n3n(c2NC(C)C)CCC3)C(=CC1=N)N	SCHEMBL3853629	360.411	ZRCDKFDQTXQPPG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-104955
n12N=C(C(C)(C)C)C(=N[N-]c3[n-]nc(c3c3ccccc3)C)c1nnc2C	PC-id_59702980	360.416	XBCZEMJITULFBO-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-104956
s1c2CCCc2c(c1NC(=O)CSc1n2ncn(N)c2nn1)C#N	PC-id_4400818	360.417	OUHLJWMZXRSZTH-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-104957
Fc1c(C(C)(C)C)ccc(OCC2Oc3n(C2)c(c(n3)C(=O)C)CC)c1	PC-id_78098314	360.423	QQXATTBYEVUBNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104958
Fc1c(C(C)(C)C)ccc(OC[C@H]2Oc3n(C2)c(c(n3)C(=O)C)CC)c1	PC-id_71525411	360.423	QQXATTBYEVUBNW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104959
Fc1ccc(cc1)N1CCN(CC1)CCCn1c(=O)n2c(c1O)CCC2	PC-id_54219979,BindingDB_PC-id_54219979	360.426	QBWXQQARRQCRME-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-104960
c1(c2CCCc2sc1NC(=O)OCC)C(=O)Nc1cccc(OC)c1	PC-id_1244183,MCULE-5079095458,TIMTEC166996,EMOLS-id_2040976,CoCoCo_540230,ZINC22_1052207	360.427	GGAHXWWMIOXALG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104961
c1(ccc(OC)cc1N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328260233,MCULE-1248305644	360.427	BWFFYQVOCQPMGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104962
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)NC	MCULE-6138346580,EMOLS-id_334331858,PC-id_7475037	360.427	OPGRYHLCZCSELG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104963
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NC	ZINC22_5055695,MCULE-6753791175,EMOLS-id_16349109,CoCoCo_2590259,PC-id_7474995	360.427	NVCSPCVBHDDMMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104964
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)NCC1CCCO1	BAS-06261545,MCULE-7568701825,EMOLS-id_1478533,MS2_ST096523,PC-id_2940208	360.427	DZFOFYRMQQVSJU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-104965
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5541146982,TIMTEC335442,PC-id_2971536,EMOLS-id_2266489	360.427	NLVKEOOVTPNCKP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-104966
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)NC	MCULE-3555798131,CoCoCo_2590250,EMOLS-id_16349095,PC-id_7474981,ZINC22_5055681	360.427	AHPCFLLQBJENSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104967
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)n1	PC-id_3889558,MCULE-5731426033	360.427	ZVCSSLLDTRTKLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104968
c1(NC(=O)C(C)Oc2ccc(cc2)O)sc2c(CCC2)c1C(=O)NC	MCULE-2133770460,EMOLS-id_334329555	360.427	UXLXRRPXISFIAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104969
c1(NC(=O)C(C)Oc2cccc(OC)c2)sc2c(CCC2)c1C(=O)N	PC-id_19203921,MCULE-7960133638	360.427	KEKAYEPRIOOXHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104970
c1(NC(=O)COc2ccccc2OCC)sc2c(CCC2)c1C(=O)N	PC-id_19177367,MCULE-3915291496	360.427	RFHMTALNINAOKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104971
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)N	PC-id_84417080,EMOLS-id_181348334,MCULE-4549263651	360.427	FHSLVWFIQGNEGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104972
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334332368,MCULE-6204184601	360.427	SRHUQDJPSWRMML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104973
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NC	MCULE-2454042032,EMOLS-id_334331099	360.427	QVTYUPJMRGLVAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104974
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334334162,MCULE-8253972628	360.427	JVKSBZZWFQPQKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104975
c1(NC(=O)Nc2ccccc2OCC)sc2c(CCC2)c1C(=O)OC	CoCoCo_6964794,PC-id_44216475,ZINC22_36646051,SPECS-id_AO-476/43417028,MCULE-1043336742,EMOLS-id_30081110	360.427	NLQSKIXVHBXOAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104976
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N(CCO)Cc1ccccc1	EMOLS-id_4736846,ZINC22_6669314,PC-id_8034402,STOCK6S-08128,MCULE-6393965241	360.427	KKPSNNODLSBTBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104977
CC(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1ccc[nH]1)CCC2	MCULE-1560288936,PC-id_4791566,ZINC22_6507897,EMOLS-id_3423702,CoCoCo_2879736	360.427	FHSMNUBOZUNDRJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-104978
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc2n1CCS2=O)C	SCHEMBL11000167,PC-id_20270365	360.427	XOCCDZUSSBXUQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-104979
COc1ccc(cc1OC)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8290774,PC-id_16911874	360.427	ATCYDJVQZRHVAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104980
COc1cc(C)ccc1OCC(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3440005,PC-id_24414301,EMOLS-id_43876289,MCULE-3975973891	360.427	ZBCMDLLZYDCQDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104981
COc1cc(/C=C/C(=O)Nc2nc3CCCc3s2)cc(OC)c1OC	PC-id_6376501,EMOLS-id_334660821	360.427	ZVCSSLLDTRTKLU-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-104982
COCCNc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_139403841,SCHEMBL21260701	360.427	VKJSFGOEGBUEDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104983
COCCOC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1	PC-id_47740819,MCULE-7728439865,EMOLS-id_44549604,ZINC22_83911708	360.427	WKXQNBQTCCLUGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104984
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1ccco1	PC-id_6549519,ZINC22_4570486,CoCoCo_347110	360.427	DZFOFYRMQQVSJU-NSHDSACASA-N	00000010101000000000000010000000000000000000000000000000	25-01-104985
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1ccco1	ZINC22_799043,CoCoCo_347111,PC-id_1083252	360.427	DZFOFYRMQQVSJU-LLVKDONJSA-N	00000010101000000000000010000000000000000000000000000000	25-01-104986
O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_543695,PC-id_7364679,ZINC22_4805665	360.427	NLVKEOOVTPNCKP-ZDUSSCGKSA-N	00000010101000000000000010000000000000000000000000000000	25-01-104987
O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	PC-id_7364683,ZINC22_4805674,CoCoCo_543694	360.427	NLVKEOOVTPNCKP-CYBMUJFWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-104988
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1	PC-id_85015460	360.427	AFJVGKNDYGYMAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104989
s1c2CCCc2cc1C(=O)NN=Cc1c(OC)cc(OC)cc1OC	PC-id_85015582	360.427	QHUWDGDQCVYHOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104990
s1c2CCCc2cc1C(=O)NN=Cc1c(OC)c(OC)c(OC)cc1	PC-id_85015524	360.427	DPJSMPJXVWGPER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104991
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(c(OC)c1)C	PC-id_29763741	360.427	GUGSJMDMHNHTLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104992
s1c2CCCc2cc1C(=O)NNC(=O)Cc1cc(OC)c(OC)cc1	PC-id_29763774	360.427	HNBCCAIASMGUTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104993
s1c2CCCc2cc1C(=O)NNC(=O)Cc1c(OC)cc(OC)cc1	PC-id_27684599	360.427	RGZMVSQDYGEFJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104994
s1c2CCCc2cc1C(=O)NNC(=O)C(Oc1ccc(OC)cc1)C	PC-id_46510156	360.427	KIMOAEYZWADGQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104995
s1c2CCCc2cc1C(=O)NNC(=O)COc1ccc(OCC)cc1	PC-id_26872848	360.427	JYJUWTVDAAQJGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104996
s1c2CCCc2cc1C(=O)NNC(=O)COCCOc1ccccc1	PC-id_46490927	360.427	NZTBUPKBXKOBEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104998
s1c2c(CCC2)c(c1NC(=O)c1c(OC)cc(OC)cc1)C(=O)NC	PC-id_7474982	360.427	PCLYUUYRRAQJNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-104999
c1(N(C)CC2CN(C2)Cc2c3CCCc3nn2C)nc(C)c(c(=O)[nH]1)F	MCULE-9073709850,ZINC22_2298048041,EMOLS-id_337752508	360.429	YDBCUOWEVOACDV-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-105000
c1(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c(CCC2)c1C#N	PC-id_2304884,EMOLS-id_3027654,CoCoCo_1661581,MCULE-9794562409,ZINC22_3108314	360.429	RBOGPICPPHWTCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105001
CCC(Oc1cccc(c1)F)CNC(=NC)NCc1nnc2n1CCC2	PC-id_109475765	360.429	CEJPDBLOVXSCBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105002
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1ccc(cc1)F)C	PC-id_111497261	360.429	NVEMSYGHHDXGGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105003
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1ccccc1F)C	PC-id_111501855	360.429	CFGXGXGCQYIKLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105004
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1cccc(c1)F)C	PC-id_111502885	360.429	GFRXJPHIERHGQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105005
N#Cc1c(NC(=O)/C=C/c2ccc(c3ccccc3)o2)sc2c1CCC2	ZINC22_408571700	360.429	CTQRWZZBPHOOOG-ZRDIBKRKSA-N	00000010101000110000100010000000000000000000000000000000	25-01-105006
O(c1ccc(C(=O)Nc2sc3CCCc3c2C#N)cc1)c1ccccc1	EMOLS-id_327864805,MCULE-9959156866	360.429	YSWUIKMGBIDTSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105007
c12CN(Cc1n(nc2C(=O)NC1CC1)C)S(=O)(=O)Cc1ccccc1	MCULE-1743202214,EMOLS-id_207862932	360.431	UMVFGRYLMNUDKO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105008
c12nc(sc1CN(CCCC)C2=O)NC(=O)Nc1ccc(cc1)OC	MCULE-3987298389,EMOLS-id_33030452,PC-id_53188494	360.431	XRWUELLKRDPADT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105009
c12nc(sc1CN(CCCC)C2=O)NC(=O)Nc1cccc(OC)c1	EMOLS-id_33030450,MCULE-3595305996,PC-id_53188493	360.431	VMKAEATVDVQSNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105010
c12SCCn1cc(CNC(=O)COc1ccc(cc1)NC(=O)CC)n2	ZINC22_55073683,MCULE-3384905743,PC-id_50953122,EMOLS-id_32221608	360.431	PHGMRNBXCJRXJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105011
c1(C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)c2CCCc2[nH]n1	MCULE-3479565442,ZINC22_77389478,EMOLS-id_43574293,PC-id_70737306	360.431	AEYWQLZBLDGVQW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105012
c1(NC(=O)c2cccc(c2C)N(=O)=O)c2CSCc2nn1C(C)(C)C	ZINC22_3892351,PC-id_4166013,EMOLS-id_30102326,CoCoCo_4975379,MCULE-5542058672	360.431	BLICCNSTEOWZTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105013
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)c2CSCc2nn1C(C)(C)C	MCULE-5802248615,CoCoCo_4975380,EMOLS-id_30102328,PC-id_4189176,ChEMBL-DNDi_CHEMBLF0453-0505,ZINC22_3892352	360.431	CCDMVDDDDCIXMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105014
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3860281210,EMOLS-id_334389780	360.431	ZIIOXGVTXSKHFT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105015
c1(NC(=O)C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	PC-id_30862757,EMOLS-id_24913551,CoCoCo_5277772,MCULE-8802386239,ZINC22_23139524	360.431	FUGCVHNCVDGQMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105016
c1(NC(=O)COC)c2CSCc2nn1CC(=O)NCc1ccccc1	ZINC22_23139430,CoCoCo_5277739,MCULE-6301274742,PC-id_30862680,EMOLS-id_24913493	360.431	FNNZEGDOZXKISU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105017
CCOC(=O)n1c(NC(=S)Nc2ccc(OC)cc2)nc2c1CCC2	PC-id_979863,ZINC22_624272,SPECS-id_AT-225/NB58512,MCULE-2284373270	360.431	QTZSGRNASZHEOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105018
Cn1c2c(CN(C2)C(=O)Cc2cscc2)c(n1)C(=O)N1CCOCC1	MCULE-6599078186,EMOLS-id_48476493,PC-id_91917562	360.431	NDGRFUZURIXTGF-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-105019
CN(C)C(=O)COCc1n[nH]c2c1CN(C(=O)/C=C/c1cccs1)C2	EMOLS-id_313726162,ZINC22_2055713375	360.431	HILBGWHSDZRBGR-AATRIKPKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105020
O=C1CCCCN1c1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100459514	360.431	JKXQGEQCLGMUDB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105021
O=C1CCCN1Cc1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100967848	360.431	KLFSLRXDPJIHNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105022
O=C(c1cccc(c1)N1CCCS1(=O)=O)Nc1n(C)nc2c1CCC2	EMOLS-id_97740711	360.431	KRJSTHXQTUGVMB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105023
O=C(c1ccc(cc1)N1CCCS1(=O)=O)Nc1n(C)nc2c1CCC2	EMOLS-id_97741266	360.431	JCWABCNEYHYPFN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105024
O=C(c1ccccc1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100203027	360.431	AAJSXEBNCZQAGE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105025
O=C(c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_100459523	360.431	ZLNSGDMRJZTHTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105026
O=C(c1ccccc1NS(=O)(=O)c1cnc2n1CCC2)N1CCCC1	EMOLS-id_100963911	360.431	ZNPCMGHURFAIFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105027
O=C(c1cccc(c1)S(=O)(=O)NC1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_98829049	360.431	RJQPPTUZEHJVGE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105028
O=C(c1n[nH]c2c1CCC2)NCc1cccc(c1)N1CCCS1(=O)=O	EMOLS-id_99725746	360.431	IVTQDMXULIONBY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105029
O=C(N1CC(C1)Oc1cc(C)n(c(=O)c1)C)Cn1ncc2c1CSC2	PC-id_92079827	360.431	PMLARYBHWDSCHP-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-105030
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc2n(n1)CCC2	PC-id_146092015,EMOLS-id_324032544,ZINC22_566954515,MCULE-8568435716	360.431	UGWWDHQHBSQFTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105031
O=C(NCc1ccccc1)c1cc2C[C@@H](Cn2n1)NS(=O)(=O)C1CC1	MCULE-2338329266,EMOLS-id_316333366	360.431	RAUJBOIPBGEYPC-ZDUSSCGKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105032
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1	PC-id_7483973	360.431	SOFIITWOSZZGGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105033
S1Cc2c(nn(c2NC(=O)c2ccccc2)CC(=O)NCCOC)C1	PC-id_44052982	360.431	QVJWYXWZXXYIFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105034
S1Cc2c(nn(c2NC(=O)OCC)CC(=O)NCc2ccccc2)C1	PC-id_44053465	360.431	DEVQTSHKMKDGSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105035
S(=O)(=O)(NC1Cc2n(nc(C(=O)NCc3ccccc3)c2)C1)C1CC1	MCULE-7536022536	360.431	RAUJBOIPBGEYPC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105036
C1Cc2c(c(c(n2C1)C(=O)Nc1ccccc1)N=Cc1cccs1)C#N	PC-id_137652773,BindingDB_PC-id_137652773	360.432	ULNIZWVPFKPFSU-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-105037
Cc1c(C(=O)Nc2c(C#N)c3c(CCC3)s2)cnc(c2ccccc2)n1	EMOLS-id_322615393,MCULE-2284956246	360.432	LQPCSGFZSVRODM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105038
c12SCCn1cc(CNC(=O)Cn1ncc(cc1=O)N1CCCC1)n2	EMOLS-id_24860625,PC-id_31054352,ZINC22_23380241,MCULE-6783115545,CoCoCo_1434794	360.434	OLQRDPSWRIFIDG-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-105039
C1Cc2c(C1)sc(n2)NC(=O)Nc1cncc(c1)C(=O)NCCCN	SCHEMBL625899,PC-id_87134262	360.434	SLBLZGUTBFSCLD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-105040
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1csnn1)C2	EMOLS-id_313735382,ZINC22_1565553966	360.434	NHOCLTYYYSWABL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105041
CC#CCC([C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	PC-id_13216490,SCHEMBL10985676	360.444	FLXIQHGVTYPZKM-KDJHBRGBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105042
CC#CCC([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	PC-id_57316917,SCHEMBL10985684	360.444	FLXIQHGVTYPZKM-NHFRFODUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105043
CC#CCC([C@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	PC-id_70487591,SCHEMBL10991563	360.444	FLXIQHGVTYPZKM-XLICASJBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105044
CC#CCC([C@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	SCHEMBL10991572,PC-id_53806222	360.444	FLXIQHGVTYPZKM-ZYSRXQITSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105045
CC#CC[C@@H]([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	SCHEMBL10985682,PC-id_70486796	360.444	FLXIQHGVTYPZKM-RGIVZKHGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105046
o1c2c(C(C(O)C2)C=CC(O)C(CC#CC)C)cc1CCCCC(=O)O	PC-id_73178892	360.444	FLXIQHGVTYPZKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105047
c1(C(=O)N(CC)CC)c2CCCc2sc1NC(=O)c1ccccc1F	PC-id_2869394,ZINC22_4189110,CoCoCo_699952,MCULE-8570936531,EMOLS-id_2253672	360.446	XYPZDLVTUXKRTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105048
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1CN1CCOCC1	ZINC22_19911578,PC-id_984098,CHEMBL1567358,MCULE-1339122692,CoCoCo_4651335,EMOLS-id_5647956	360.446	YPFZTDKFURCWLY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105049
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)NCC(C)C	EMOLS-id_2190608,ZINC22_1148051,CoCoCo_880905,MCULE-6946345052,PC-id_1319125	360.446	XTMGMIDMELMLCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105050
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2c(s1)CCC2	MCULE-7476603254,PC-id_37150836,EMOLS-id_50290038,ZINC22_29880377	360.446	ZFAYEWDEKACPQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105051
COc1c(sc2c1CCC2)C(=O)N1CCN(CC1)c1ccccc1F	PC-id_91956549	360.446	QJVLQSNNVXWZMS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105052
Fc1ccc(cc1)CC1(CCOCC1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318109411	360.446	ZLYLECPYGXBWBE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105053
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)F)NCC1CCCO1	MCULE-1453114853,EMOLS-id_189697218	360.446	IXPCFNNUKQYLKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105054
O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc2c(s1)CCC2	ZINC22_129487111	360.446	IXPCFNNUKQYLKU-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105055
O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc2c(s1)CCC2	ZINC22_129487351	360.446	IXPCFNNUKQYLKU-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105056
CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](NC(=O)c2occ3c2CCC3)C1	ZINC22_951234753	360.447	LGUAWOGOSUNQND-KMFMINBZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105057
CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](NC(=O)c2occ3c2CCC3)C1	ZINC22_951234754	360.447	LGUAWOGOSUNQND-UNEWFSDZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105058
CC1=C([S]=C(N1)c1ccc(F)cc1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_320526386	360.449	FUUXVFLFXDZOQZ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-105059
CCOc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328218230,MCULE-6940201848	360.449	KOIKXTDQBPZXRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105060
CC(O)c1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-7963011330,EMOLS-id_328221297	360.449	WAFZUYQWCAXVTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105061
CCOc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-4914093287,EMOLS-id_328219251	360.449	FSHQROKBRSGKIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105062
COc1ccccc1CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7682905368,EMOLS-id_328213119	360.449	CSVKGWKXXKEKRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105063
COc1cccc(c1)N(C)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328339603,MCULE-4792660380	360.449	VCXZWSLPRVMLSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105064
COc1ccc(C)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8846881133,EMOLS-id_328216700	360.449	CAWJYUZLNLGYFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105065
COc1ccc(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328213623,MCULE-2237459287	360.449	CWZDUTBRNYYHBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105066
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C)c1	MCULE-5453930363,EMOLS-id_328217981	360.449	JPIGHZBMWGLEHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105067
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CCO)c1ccccc1	EMOLS-id_328335770,MCULE-5485065368	360.449	FVQCHFACFJWABK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105068
O=C(CN1CCNCC1c1cccc(c1)F)Nc1sc2c(n1)CCC2	PC-id_120756559	360.449	GUQQXSFQDWYQCP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105069
O=C(Nc1sc2c(n1)CCC2)CN1CCN(CC1)c1ccc(cc1)F	BindingDB_PC-id_71601552,PC-id_71601552	360.449	CVIGNRZDELXSSV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105070
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)C1(CCCCC1)C	MCULE-1884763290,EMOLS-id_207863049	360.451	HSMPHXZGNNTGAU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105071
c12CN(Cc1nn(CC1CCC1)c2C(=O)NC1CC1)C(=O)OC(C)(C)C	MCULE-5781292328,EMOLS-id_324355174	360.451	RKUQCLWVWVVBOM-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-105072
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)NC1CC1)C(=O)OCC	MCULE-1551288857,EMOLS-id_324357221	360.451	SONMXKQQBAPOBP-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-105073
c1(NC(=O)c2ccccc2S(=O)(=O)CC)sc2c(CCC2)c1C#N	CoCoCo_5157752,MCULE-2776047293,ZINC22_5240938,PC-id_7578646,EMOLS-id_5587715	360.451	NLUNGLQCFNBEQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105074
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)C)sc2CCCc2c1C#N	EMOLS-id_54863404,ZINC22_9596924,MCULE-1759426868,PC-id_41139581	360.451	FDWZNTDUMXRDBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105075
c1(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C#N	PC-id_7189655,ZINC22_4325512,EMOLS-id_5522492,MCULE-2892598571,CoCoCo_5057564	360.451	UXTZHASAHBNKTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105076
CCS(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_7579430,EMOLS-id_322834615,MCULE-2435257773	360.451	KMLKWYOFDQRWRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105077
Cn1nc(C(=O)N2CCOCC2)c2CN(Cc12)C(=O)CCC1CCCC1	EMOLS-id_48476501,PC-id_91907139,MCULE-6592403909	360.451	NYACUPVORORDSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105078
COc1cc(CN[C@@H](c2nnc3n2CCC3)C(C)C)ccc1OCCO	ZINC22_2325773907	360.451	VKZXTOPLQFPOAD-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105079
COc1cc(CN[C@H](c2nnc3n2CCC3)C(C)C)ccc1OCCO	ZINC22_2325773908	360.451	VKZXTOPLQFPOAD-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105080
CS(=O)(=O)c1ccccc1CC(=O)Nc1sc2CCCc2c1C#N	MCULE-8425002523,EMOLS-id_328113637	360.451	ZSQQNSJSFNRGEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105081
s1c2CCCc2c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C#N	PC-id_7579038	360.451	ALBSQYHNSCJZNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105082
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1cccnc1)C(=O)OCC	PC-id_7030154	360.451	WIEVUADRRSAAOF-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-105083
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(sc(c1)C)C)C#N	PC-id_8878090	360.451	ZWDFZPANKFNJPS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-105084
s1c2CCCc2c(c1NC(=O)COC(=O)CCc1ccsc1)C#N	PC-id_8611386	360.451	IZDJCKIAMGURRH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-105085
s1c2CCCc2c(c1NC(=O)COC(=O)CCc1sccc1)C#N	PC-id_8530333	360.451	FXYZMAYNDSQQIY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-105086
s1c2CCCc2c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C#N	PC-id_41581949	360.451	AYCLUXYZFBMYGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105087
c1(CNC(=O)NC(c2ccccc2)c2ccccc2)c2CCCc2nn1C	ZINC22_225818817,PC-id_91819415,MCULE-7078394037,EMOLS-id_53884699	360.452	VJRWONQXDSPOCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105088
Cc1cccc(c1)CC(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2919686,PC-id_68441033	360.452	BPCZAVJMYPJQMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105089
Cc1ccccc1CC(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91014771	360.452	WKILFDGDKJCFJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105090
Cc1ccc(cc1)CC(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91109726	360.452	UZEMNFAJQQGAMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105091
Cc1cc(ccc1)CC(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91334472	360.452	SKRQCPFARXONCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105092
CC(c1ccccc1)C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91256146	360.452	YQMWRIAJKIWJFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105093
CC(c1cccc(c1)NC(=O)c1ccccc1)NCc1cnc2n1CCC2	PC-id_146107253,EMOLS-id_324023677,MCULE-5580175922	360.452	ZSSUFLOSMXHSMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105094
CC(C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1)c1ccccc1	SCHEMBL2915703,PC-id_68439711	360.452	TYUYGTPOBJDNSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105095
CCC(=O)N(c1n[nH]c2c1CN(C2)CCc1ccccc1)c1ccccc1	SCHEMBL2924963,PC-id_68443026	360.452	RVWMYFAGGOMXIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105096
C[C@H](NCc1cnc2n1CCC2)c1cccc(NC(=O)c2ccccc2)c1	ZINC22_657308945	360.452	ZSSUFLOSMXHSMX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105097
C[C@@H](NCc1cnc2n1CCC2)c1cccc(NC(=O)c2ccccc2)c1	ZINC22_657308946	360.452	ZSSUFLOSMXHSMX-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105098
NC(=O)c1cccc(CN(Cc2ccccc2)Cc2cnn3c2CCC3)c1	ZINC22_2325757081	360.452	AEOMKMCLTQNOTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105099
O=C(C(c1ccccc1)C)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2915699,PC-id_68439710	360.452	FQJAURUHJXCBST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105100
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)Cc1ccccc1C	PC-id_68439089,SCHEMBL2914150	360.452	YPCSNISEATTYMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105101
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)Cc1ccc(cc1)C	PC-id_68440287,SCHEMBL2917363	360.452	ZJEGRWRWSNBDBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105102
s1c2CCCc2c(c1NC(=O)C[n+]1cc(c2ccccc2)ccc1)C#N	PC-id_8876226	360.452	CPICWORNCGLHGM-UHFFFAOYSA-O	00000010100000111000100010000000000000000000000000000000	25-01-105103
c1(CN(CCOC)C(=O)NCc2c3CCCc3[nH]n2)c(C)nn(C)c1C	MCULE-9361210163,PC-id_121512536,EMOLS-id_177501831,ZINC22_426707295	360.454	XXCAOIKWWCKWEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105104
c1(NC(=O)CSc2nc(C)c(c(=O)[nH]2)C)sc2c(CCC2)c1C#N	MCULE-8652129368,EMOLS-id_322526832	360.454	FBRVHAPOYVHLCP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105105
CCc1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCC2)C#N	PC-id_136684646	360.454	AWVWMWKUGZHOLS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105106
CCCn1c(c(c(=O)[nH]c1=S)/C=N/c1c(c2c(s1)CCC2)C#N)O	PC-id_135549997	360.454	KBJWRCFADDQDLF-QGMBQPNBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105107
CCCN1C(=O)/C(=CNc2sc3c(c2C#N)CCC3)/C(=O)NC1=S	CoCoCo_3927879,ZINC22_6907432,PC-id_6215943,CoCoCo_3927881	360.454	ATXMFDQYEMNMMB-FLIBITNWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105108
CCCN1C(=S)NC(=O)/C(=CNc2sc3c(c2C#N)CCC3)/C1=O	CoCoCo_3927882,CoCoCo_3927880,PC-id_8000574	360.454	ATXMFDQYEMNMMB-DHZHZOJOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105109
CCCN1C(=S)NC(=O)C(=CNc2sc3c(c2C#N)CCC3)C1=O	MCULE-5873169188,EMOLS-id_26200396,PC-id_6837971	360.454	ATXMFDQYEMNMMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105110
CCNC(=NCc1nnc2n1CCC2)NCC(c1cc(oc1C)C)(O)C	PC-id_111662093	360.454	FVTDXUDHBXGIKJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-105111
CN1CCCC1C(=O)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101577075	360.454	OLKZGVCYFAUVMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105112
o1c(C(N(C)C)CNC(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1	PC-id_60277145	360.454	NSVMSUTUTMOIIP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-105113
O=C(NC1CCCN(C1=O)C1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_97691328	360.454	TYIVGUTYXJZASI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105114
O=C(NC1CC(n2c1ncc2)C)NC1CCCN(C1)C(=O)N1CCCC1	EMOLS-id_101422848	360.454	ZGKNHNANKKXVQU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105115
O=C(NC(c1nnc2n1CCC2)C)NC1CC(=O)N(C1)C1CCCCC1	EMOLS-id_98703447	360.454	GJSMWVAKYXYCNT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105116
s1c2CCCc2c(c1NC(=O)Cn1c(SC)nc(cc1=O)C)C#N	PC-id_7748218	360.454	ONBDATJQYQLBRN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105117
Cc1ccc(cc1)CN=C(Nc1ccccc1)NCc1nnc2n1CCC2	PC-id_111020287	360.455	VMUKUVPSQIJLMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105118
n1(N)c(SCC(=O)Nc2sc3c(CCC3)c2C#N)nnc1C1CC1	EMOLS-id_335781270,MCULE-7985591879	360.457	QXDPWQVLMRGQIR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-105119
c1(NC(=O)CCCSc2ccc(cc2)F)sc2c(CCC2)c1C#N	ZINC22_10218106,MCULE-5747919260,CoCoCo_5189465,EMOLS-id_5624042,PC-id_18585639	360.469	ALLFFCNOFPKPKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105120
c1(NC(=O)CC(C)(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8101741226,EMOLS-id_334337965	360.47	KFTZWYSLQHEYFW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105121
c1(NC(=O)COc2ccc(cc2C(C)(C)C)OC)sc2c(CCC2)n1	EMOLS-id_334660822,MCULE-6228657741	360.47	RAINQXIYZXVMMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105122
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(OCC)c1)OCCCC	MCULE-3593202341,EMOLS-id_334663127	360.47	ISNCKRDGWOOKDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105123
CC1CCC(CC1)OC(=O)CCC(=O)Nc1sc2CCCc2c1C#N	ZINC22_1430624,TIMTEC405767,MCULE-1529128973,PC-id_1510410,EMOLS-id_2584001	360.47	QMHSJCCPTUDVGF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105124
C[C@](CC(=O)O)(C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1	ZINC22_169975484,PC-id_99773741	360.47	UFTXLSPXWWFFND-LJQANCHMSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105125
C[C@@](CC(=O)O)(C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1	ZINC22_169975486,PC-id_99773742	360.47	UFTXLSPXWWFFND-IBGZPJMESA-N	00000010100010000000000010000000000000000000000000000000	25-01-105126
CC[C@H](C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)N1CCCC1=O	ZINC22_333350629	360.47	RKNHEJCMYXDECO-CYBMUJFWSA-N	00100010100000000000000010000000000000000000000000000000	25-01-105127
CC[C@@H](C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)N1CCCC1=O	ZINC22_333350632	360.47	RKNHEJCMYXDECO-ZDUSSCGKSA-N	00100010100000000000000010000000000000000000000000000000	25-01-105128
CCC(N1CCCC1=O)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	MCULE-4570695211,EMOLS-id_101817372	360.47	RKNHEJCMYXDECO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-105129
CCC(=O)N1CCC(C1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170416	360.47	UNBTUCATOWQCAA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-105130
CCOc1c(cc(cc1)CCNC(=O)C1Cc2c(N1)ccs2)OCC	SCHEMBL14985361,PC-id_89595404	360.47	YGJVKQFOELDPIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105131
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)SCC)C	PC-id_145804614	360.47	WQDZKMFEKUIVQM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105132
CCSc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2(CC)C(=O)O	PC-id_70410165,SCHEMBL10640238	360.47	QETQCWHEJNIFMP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105133
N#Cc1c(NC(=O)CCC(=O)O[C@@H]2CC[C@H](CC2)C)sc2c1CCC2	CoCoCo_1984083	360.47	QMHSJCCPTUDVGF-JOCQHMNTSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105134
N#Cc1c(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](CC2)C)sc2c1CCC2	CoCoCo_1984084	360.47	QMHSJCCPTUDVGF-BETUJISGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105135
N#Cc1c(sc2c1CCC2)NC(=O)C(C1CCCCC1)(CC(=O)O)C	EMOLS-id_50314275,MCULE-3589983737,PC-id_102554368	360.47	UFTXLSPXWWFFND-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105136
N#CCCCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	EMOLS-id_24988373,CoCoCo_3646329,PC-id_39903609,MCULE-9202362342,ZINC22_32667928	360.47	UXQWSVPGBDDOAW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105137
O=C(C1CCCN(C1)C(=O)C)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170392	360.47	HJDCDEJVFQOEDM-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-105138
s1c2c(CCC2)cc1C(=O)NCC(N1CCOCC1)c1oc(cc1)C	PC-id_51283096	360.47	DHUHEKWGTDWQAL-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-105139
s1c2CCCc2cc1C(=O)OC(C(=O)N(C1(CCCCC1)C#N)C)C	PC-id_78674763	360.47	HKLSUNNKXFOJJC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105140
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N(C1(CCCCC1)C#N)C)C	PC-id_8358975	360.47	HKLSUNNKXFOJJC-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105141
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N(C1(CCCCC1)C#N)C)C	PC-id_8358977	360.47	HKLSUNNKXFOJJC-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105142
s1c2CCCc2c(c1NC(=O)COC(=O)CCC1CCCCC1)C#N	PC-id_16530424	360.47	SOSYZAOQKZLFMW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105143
s1c2CN(Cc2cc1C(=O)NCc1cc(OC)cc(OC)c1)C(C)C	PC-id_53171032	360.47	IAGNYNZVMLWGDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105144
s1c2CN(Cc2cc1C(=O)NCc1cc(OC)c(OC)cc1)C(C)C	PC-id_53171031	360.47	UGDXFZSHQJJRKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105145
c1(NC(=O)c2cc(c(CC)o2)CN2CCCC2)n(C)nc2CSCc12	MCULE-6459673897,ZINC22_1506420504,EMOLS-id_316276556	360.474	GKTGUJCADDTKER-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-105146
c1(NC(=O)C2CC(=O)N(CCCN(C)C)C2)sc2c(CCC2)c1C#N	PC-id_108800312,MCULE-1684943732,EMOLS-id_182613122	360.474	WAOGGERWXKZGAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105147
Cc1cccc(c1C)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199079	360.474	MPICVRFBVYBJIP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105148
Cc1ccc(c(c1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100223593	360.474	MSLQOBKBYPVADT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105149
CC1CCN(CC1)c1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97704074	360.474	HCTOSNCKAJYZCD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105150
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1c2c(nn1C)CCC2	PC-id_47794537,EMOLS-id_48222074,MCULE-4753514430,ZINC22_95373503	360.474	ZQWSDXLOTLQHIX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105151
Cc1c(c(=O)[nH]c(n1)C(C)(C)C)C(=O)Nc1nc2c(s1)CCC2(C)C	PC-id_137224904	360.474	UIMZTHSRPZUMDD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105152
CCc1ccc(cc1)C1CNCCN1S(=O)(=O)c1cnc2n1CCC2	MCULE-5675029353,PC-id_120876802,EMOLS-id_302860953	360.474	ANLGURQKYRIPPU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105153
CC(C)(C)c1csc([C@@H]2CN(C(=O)c3cnn4c3CCC4)CCO2)n1	ZINC22_333731874	360.474	UEWQVELEZDWMFR-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105154
CC(C)(C)c1csc([C@H]2CN(C(=O)c3cnn4c3CCC4)CCO2)n1	ZINC22_333731875	360.474	UEWQVELEZDWMFR-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105155
CCN1CCCN(CC1=O)C(C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_100004069	360.474	WKQWXEFHAKLQMB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-105156
CN1CCC(CC1)N(S(=O)(=O)c1cnc2n1CCC2)c1ccccc1	EMOLS-id_100586638	360.474	OYCLWTUGCKFXQN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105157
Cn1nc(CN(C2CCCC2)S(=O)(=O)c2cccnc2)c2CCCc12	MCULE-8246247135,PC-id_86266606,EMOLS-id_50145378	360.474	LVFDMBYTMYTQTE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-105158
CNC(=O)C1CCCC1NCCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_101739850	360.474	AASNAMAUHYZVFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105159
N#Cc1c(NC(=O)C(N2CCCN(CC2)C(=O)C)C)sc2c1CCC2	EMOLS-id_110849568	360.474	FHNJQHKFBDSZOG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-105160
O=C(c1cnn2c1CCC2)N1CCOC(C1)c1scc(n1)C(C)(C)C	MCULE-2182905954,EMOLS-id_101324646	360.474	UEWQVELEZDWMFR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105161
O=C(c1cnn(c1C)C1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102162466	360.474	AMQCCODQGVYAFA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105162
O=S(=O)(c1cnc2n1CCC2)Nc1cccc(c1)N1CCCCCC1	EMOLS-id_97704077	360.474	WKAQBRBBCFDUPH-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-105163
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)C(=O)N(C)C)C#N	PC-id_75865960	360.474	XEBNBZRVEQGWOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105164
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NC)C#N	PC-id_24589420	360.474	PGRCKRXOKHLWGW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105165
s1c2c(CCC2)c(c1NC(=O)CCN1[C@@H](CCC1)C(=O)N(C)C)C#N	PC-id_52546754	360.474	XEBNBZRVEQGWOW-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105166
s1c2c(CCC2)c(c1NC(=O)CCN1[C@H](CCC1)C(=O)N(C)C)C#N	PC-id_52546756	360.474	XEBNBZRVEQGWOW-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105167
Cc1cccc(c1/N=C/1Sc2n(C1=Nc1c(C)cccc1C)ccn2)C	SCHEMBL6432783	360.475	ANAFXJOINPZDNZ-CBAIGBLSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105168
Cc1cccc(c1N=C1Sc2n(C1=Nc1c(C)cccc1C)ccn2)C	SCHEMBL6432786	360.475	ANAFXJOINPZDNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105169
S1C(=Nc2c(cccc2C)C)/C(=N/c2c(cccc2C)C)/n2c1ncc2	PC-id_22638445	360.475	ANAFXJOINPZDNZ-OVPFANDUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105170
c1(C(=O)N2CCC(CC2)Cc2nnc(SC)n2C)c2CCCc2[nH]n1	ZINC22_82138609,MCULE-1042898213,EMOLS-id_44446177,PC-id_70769548	360.477	XCNQLPXGSZRKSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105171
c1(C(=O)NCCc2sc3c(CCC3)n2)cn(nn1)CC1CCCNC1	PC-id_56705542,MCULE-3456850621,EMOLS-id_36430564	360.477	OIKCBBRBFGAYED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105172
CC(c1nccs1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101576931	360.477	VBUXLHKVKKUCTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105173
Cn1cnnc1C1CCN(C(=O)Nc2nc3c(s2)CCC3(C)C)CC1	EMOLS-id_102000078,ZINC22_333510120,MCULE-1304270949	360.477	IYNCZZROGUWSPB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105174
O=C(N1CCCC(C1)c1n[nH]c(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003864	360.477	DAKOMIIGRIJZFW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105175
O=C(N1CCC(CC1)Cn1cncn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007188	360.477	JNRFBWMUCUVXRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105176
O=C(N1CCCC(C1)Cn1nncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005571	360.477	GVKALZVSCIIJCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105177
O=C(N1CCC(CC1)Cn1nncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005580	360.477	HGOBFMYCDWCILE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105178
O=C(N1CCN(CC1)c1cnn(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003678	360.477	LMVMMZILUNBISO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105179
O=C(N1CCN(CC1)c1sc(c(n1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101418789	360.477	YFFDVXJMTINIGJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105180
OC(c1ccc(c(c1F)Cl)Br)c1sc2c(c1)CCC2	PC-id_106765141	361.657	KBDGFGXGHDABLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105788
O=C(N1CCN(CC1)Cc1csc(n1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101435157	360.477	DLVDBTNPMVFLJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105181
O=C(NCCc1nc2c(s1)CCC2)c1cn(C[C@@H]2CCCNC2)nn1	PC-id_95199751,ZINC22_67674767	360.477	OIKCBBRBFGAYED-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105182
O=C(NCCc1nc2c(s1)CCC2)c1cn(C[C@H]2CCCNC2)nn1	PC-id_95199752,ZINC22_67674768	360.477	OIKCBBRBFGAYED-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105183
CC(C)C(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)c2occ3c2CCC3)C1	ZINC22_1615059090	360.49	ZXQVTWBTHYAHJD-INIZCTEOSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105184
CC(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)c2occ3c2CCC3)C1	ZINC22_1615059093	360.49	ZXQVTWBTHYAHJD-MRXNPFEDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105185
CCOC(=O)C1CCc2c1sc(c2C(=O)c1ccc(cc1)SC)C	SCHEMBL10746915,PC-id_13934075	360.49	GYLUOKZXCOJPSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105186
CN(C(=O)c1occ2c1CCC2)C1CCCN(C1)C(=O)C(C(C)C)(C)C	MCULE-3005464960,EMOLS-id_317058127	360.49	ZXQVTWBTHYAHJD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105187
c1(NC(=O)CCCSc2ccccc2)sc2c(CCC2)c1C(=O)N	CoCoCo_2590321,PC-id_22582903,EMOLS-id_16349213,ZINC22_15822871,MCULE-9180988029	360.494	WUEQUHZOKBGGMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105188
c1(NC(=O)CCSc2ccccc2)sc2c(CCC2)c1C(=O)NC	ZINC22_4335456,MCULE-7256087662,PC-id_7195561,EMOLS-id_16344684,CoCoCo_2580157	360.494	ZSJGVPNLMLGDGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105189
c1(NC(=S)Nc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)OC	PC-id_3300685,CoCoCo_6800611,EMOLS-id_4038431,MCULE-4138725267,TIMTEC102004,ZINC22_6283936	360.494	CLKXQVLDGJHIMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105190
c1(NC(=S)Nc2ccccc2CC)sc2c(CCC2)c1C(=O)OC	ZINC22_6286457,MCULE-8249041426,TIMTEC576165,PC-id_4476168,CoCoCo_6800615,EMOLS-id_4038427	360.494	YOKBFKPPIVZAAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105191
c1(NC(=S)Nc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_178523,ZINC22_5091995,CHEMBL1544543,PC-id_1356173,ChemDIV2766-0245,EMOLS-id_936624,ChEMBL-DNDi_CHEMBL1544543,BAS-01217200,MCULE-5591409590	360.494	BDNIWCOOYXTKON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105192
c1(NC(=S)Nc2ccccc2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6270513,MCULE-4551847230,PC-id_1967612,CHEMBL1464137,ChEMBL-DNDi_CHEMBL1464137,EMOLS-id_935904,ZINC22_8691936,STOCK2S-28230	360.494	LZPGPIQYAOWLOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105193
c1(NC(=S)Nc2cccc(C)c2C)sc2c(CCC2)c1C(=O)OC	MCULE-7867215120,PC-id_3300805,TIMTEC388802,ZINC22_6547404,CoCoCo_6800622,EMOLS-id_4038435	360.494	PTJHSRFOABPWAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105194
c1(NC(=S)Nc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)OC	ZINC22_6390938,CoCoCo_6800625,EMOLS-id_4038449,PC-id_4476167,TIMTEC163387,MCULE-6002583431	360.494	GBYYOHNLYWDVOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105195
c1(NC(=S)Nc2cccc(CC)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4038433,MCULE-6530357059,PC-id_3300804,ZINC22_6284373,CoCoCo_6800621,TIMTEC52409	360.494	ANDSNTFRCYQFLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105196
c1(NC(=S)Nc2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)OC	ZINC22_5941627,CoCoCo_6800626,PC-id_3300686,EMOLS-id_4038453,MCULE-1508351989,TIMTEC603212	360.494	ZSROFSOICRSQMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105197
c1(NC(=S)NCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	TIMTEC407449,ZINC22_4438559,CK1300282,EMOLS-id_1263330,STOCK2S-00119,MCULE-1968980647,PC-id_2861814,SPECS-id_AJ-292/40226910,BAS-00700461,CoCoCo_119213	360.494	QOFRCCGUSKYKAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105198
C1(=O)C(CCCN1CC1CCCCC1)(CNCc1c2CCCc2[nH]n1)O	PC-id_45250005,EMOLS-id_20738265,MCULE-6517682948	360.494	XBIWDRRRSDIYNT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105199
Cc1ccc(C)c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	MCULE-8768920870,ZINC22_5019322,CoCoCo_3123418,PC-id_4030972,EMOLS-id_3489368	360.494	DDUNZPQJBSTLRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105200
CC1(C)CN(C2(CNC(=O)c3n[nH]c4c3CCC4)CCCCC2)CCO1	EMOLS-id_98803886,MCULE-7105120650,ZINC22_329213763	360.494	JZTPFBPAEUWZOC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105201
CCC(C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2)SC	EMOLS-id_320353852,PC-id_145893302,MCULE-8406338537	360.494	KAPDDTSFYWXTAX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105202
CCC(C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2)SC	EMOLS-id_320340804,PC-id_145894448,MCULE-6073692205	360.494	WVSOAEMJAVBLTR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105203
CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2	ZINC22_187129619	360.494	KAPDDTSFYWXTAX-ZDUSSCGKSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105204
CC[C@@H](SC)C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2	ZINC22_187129640	360.494	KAPDDTSFYWXTAX-CYBMUJFWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105205
CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	ZINC22_187312619	360.494	WVSOAEMJAVBLTR-ZDUSSCGKSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105206
CC[C@@H](SC)C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	ZINC22_187312637	360.494	WVSOAEMJAVBLTR-CYBMUJFWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105207
CC(C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)SCc1ccccc1	EMOLS-id_316843386,MCULE-9545777303,PC-id_136523652,SCHEMBL21045577	360.494	RGDPIXMJFDTQLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105208
CC(C(=O)NNC(=O)c1sc2c(c1)CCC2)SCc1ccccc1	PC-id_45909094,EMOLS-id_30058327,MCULE-4287651363	360.494	RAAVAMUZMOJHEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105209
C[C@H](C(=O)NNC(=O)c1sc2c(c1)CCC2)SCc1ccccc1	CoCoCo_4937726,PC-id_51959209	360.494	RAAVAMUZMOJHEN-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105210
C[C@@H](C(=O)NNC(=O)c1sc2c(c1)CCC2)SCc1ccccc1	PC-id_51959208,CoCoCo_4937727	360.494	RAAVAMUZMOJHEN-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105211
C[C@@H](SCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_14915676	360.494	RGDPIXMJFDTQLR-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105212
C[C@H](SCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_14915677	360.494	RGDPIXMJFDTQLR-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-105213
CSc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CCC2	ZINC22_8302890,EMOLS-id_44512749,MCULE-8253314779,PC-id_9426307	360.494	YYFHCQRHNGZLTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105214
CSCCCC(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	PC-id_145894453,MCULE-9566460555,EMOLS-id_320341828,ZINC22_187310728	360.494	GVKRWCQGUIGMTC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105215
CSCC(C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2)C	EMOLS-id_320356156,MCULE-5314736731,PC-id_145893308	360.494	KSVQEQPNVQVWDU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105216
CSC[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2	ZINC22_187132304	360.494	KSVQEQPNVQVWDU-NSHDSACASA-N	00000010100000101000000010000000000000000000000000000000	25-01-105217
CSC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2	ZINC22_187132323	360.494	KSVQEQPNVQVWDU-LLVKDONJSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105218
O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1n[nH]c2c1CCC2	CoCoCo_1629440,PC-id_26405587,CoCoCo_1629442,ZINC22_15073547	360.494	XBIWDRRRSDIYNT-HXUWFJFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105219
O=C1N(CC2CCCCC2)CCC[C@]1(O)CNCc1n[nH]c2c1CCC2	CoCoCo_1629443,PC-id_26405589,CoCoCo_1629441,ZINC22_15073548	360.494	XBIWDRRRSDIYNT-FQEVSTJZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105220
s1c2CCCc2cc1C(=O)NNC(=O)C(Sc1ccc(cc1)C)C	PC-id_24447746	360.494	KDDWMXXAADCTTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105221
s1c2c(CCC2)c(c1NC(=O)CSc1c(cc(cc1)C)C)C(=O)N	PC-id_8113853	360.494	NGPUTKVTGNXKGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105222
s1c2c(CCC2)c(c1NC(=O)CSc1cc(c(cc1)C)C)C(=O)N	PC-id_8633817	360.494	LGXWFJHNBCXUAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105223
s1c2c(CCC2)c(c1NC(=O)CSCc1c(cccc1)C)C(=O)N	PC-id_2498612	360.494	YLJGVVZXPCFXIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105224
s1c2c(CCC2)c(c1NC(=S)Nc1c(cc(cc1)C)C)C(=O)OC	PC-id_20410255	360.494	IZESUUURHOFJJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105225
s1c2c(CCC2)c(c1NC(=S)Nc1c(cccc1C)C)C(=O)OC	PC-id_20410415	360.494	KYHSIWSMJQPEMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105226
s1c2c(CCC2)c(c1NC(=S)Nc1c(ccc(c1)C)C)C(=O)OC	PC-id_8122323	360.494	YCSGJZJVNDPPHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105227
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1)C)C(=O)OCC	PC-id_8659218	360.494	YMAYGFGMGWZPAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105228
s1c2c(CCC2)c(c1NC(=S)NCc1ccc(cc1)C)C(=O)OC	PC-id_19649323	360.494	ITLOLHVRNBZQAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105229
s1c2c(CCC2)c(c1NC(=S)NC(c1ccccc1)C)C(=O)OC	PC-id_19649793	360.494	DZRLOPBGGKMJRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105230
s1c2c(CCC2)c(c1NC(=S)NCCc1ccccc1)C(=O)OC	PC-id_8748134	360.494	IDLZNEBLNKFJDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105231
s1c2c(CCC2)c(C(=O)N2CCCCC2)c1NC(=O)c1sccc1	PC-id_53297621	360.494	IWRGHPUSUKHUDU-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-105232
CC1CCN(CC1)C1CCC(CC1)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_97779600	360.497	KPWYWOMPBYBLOG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105233
CC1CCN(CC1)CC1CCCN(C1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_98522766	360.497	PQTQACCWVYPZGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105234
O=C(N1CCCC(C1)CN1CCCCC1C)NCc1nnc2n1CCC2	EMOLS-id_99145450	360.497	DXNHEMBLFGSTKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105235
O=C(N1CCCN(CC1)CC1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_97961008	360.497	IOINOESBARILGZ-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-105236
O=C(NC(c1nnc2n1CCC2)C)NC(C1CCCN(C1)C1CCC1)C	EMOLS-id_99228415	360.497	UTTDXYBCSQSPLZ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-105237
s1c2CCCc2c(c1NC(=O)CCN(Cc1sc(nc1)C)C)C#N	PC-id_55816295	360.497	CJHJOYMCYNNFLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105238
CCCCOCC1(COCCCC)Cc2c(C1)csc2C(C#N)C#N	PC-id_101770253	360.514	FFIXIXBZLBVBMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105239
CCCOc1ccc(cc1OC)C(NC(c1sc2c(n1)CCC2)C)C	EMOLS-id_48302732,PC-id_75437133,MCULE-5096660740	360.514	CQRSEBAIKAJALC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105240
CCCOc1ccc([C@@H](C)N[C@@H](C)c2nc3c(s2)CCC3)cc1OC	PC-id_97251192,ZINC22_95450979	360.514	CQRSEBAIKAJALC-KGLIPLIRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105241
CCCOc1ccc([C@@H](C)N[C@H](C)c2nc3c(s2)CCC3)cc1OC	PC-id_97251194,ZINC22_95450981	360.514	CQRSEBAIKAJALC-ZIAGYGMSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105242
CCCOc1ccc([C@H](C)N[C@@H](C)c2nc3c(s2)CCC3)cc1OC	ZINC22_95450980,PC-id_97251193	360.514	CQRSEBAIKAJALC-KBPBESRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105243
CCCOc1ccc([C@H](C)N[C@H](C)c2nc3c(s2)CCC3)cc1OC	ZINC22_95450982,PC-id_97251195	360.514	CQRSEBAIKAJALC-UONOGXRCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105244
s1c(C(=O)N2CCC(CC2)C(=O)N2CCCCCC2)cc2c1CCC2	PC-id_8134544	360.514	UTDJVHNEOVNHRL-UHFFFAOYSA-N	00000010100010000100000010000000000000000000000000000000	25-01-105245
CCN1CCC(CC1)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_99564877	360.517	QUOLVXLMJLMBJI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105246
N#Cc1c(sc2c1CCC2)NC(=O)[C@H]([N@@H+](Cc1sccc1C)C)C	GD-id_ZINC42474013	360.517	UQHFZDILOLFXQS-GFCCVEGCSA-O	00000010100100000000000010000000000000000000000000000000	25-01-105247
s1c2CCCc2cc1C(=O)NCc1sc(cc1)c1nc(sc1)C	PC-id_8940785	360.517	PXVVZHGYGBAFJX-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-105248
CN(C(=O)ON=C1n2ccnc2SC1(C)C)SSC(C)(C)C	SCHEMBL11188484,PC-id_54057654	360.519	LXJYCJFCEVRPRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105249
s1nc2N(CCn2c1=S)C(=S)N1CCn2c1nsc2=S	4022452_OpenMolecule,NSC732630,PC-id_11057509	360.525	OJVWXVSVAHXDHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105250
O=C(c1sc(c2c1OCO2)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	PC-id_140892273	360.53	ZZNCXGCTZWBNOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105251
CCCCCCCCn1cc2c(c1)C(=O)N(C2=O)CCCCCCCC	PC-id_102529435	360.533	JNBYTXXQNBHHRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105252
CCCC1C=CC(=C)/C/1=C(c1c(C)sc2c1CCC2)/c1ccc(cc1)C	PC-id_144088364	360.555	UNANHMVWFMJSJB-WJTDDFOZSA-N	00000011100000110000000010000000000000000000000000000000	25-01-105253
Cc1ccccc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324910607	360.646	ABUVNDLELSEYLQ-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105254
Cc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324908046	360.646	SESFUMGEGNGSIR-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105255
Cc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324909583	360.646	XMRKQKGZXUXSQS-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105256
n12c(=O)c(=Cc3ccc(cc3)C)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-2338062130	360.646	SESFUMGEGNGSIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105257
n12c(=O)c(=Cc3ccccc3C)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-4550648612	360.646	ABUVNDLELSEYLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105258
n12c(=O)c(=Cc3cccc(C)c3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1319511594	360.646	XMRKQKGZXUXSQS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105259
BrCC1Sc2n(C1)c(nn2)COc1ccc(Cl)cc1	PC-id_45142915	360.657	BISUJJMEWQLSLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105260
BrC[C@H]1Sc2n(C1)c(nn2)COc1ccc(cc1)Cl	CoCoCo_6308599,PC-id_34948461	360.657	BISUJJMEWQLSLJ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105261
BrC[C@@H]1Sc2n(C1)c(nn2)COc1ccc(cc1)Cl	PC-id_34948455,CoCoCo_6308598	360.657	BISUJJMEWQLSLJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-105262
Brc1cc(CNC2CCc3sc(Cl)cc23)c(F)cc1	PC-id_81252185	360.672	FKOAUINYEFYETC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105263
Brc1c(CNC2CCc3sc(Cl)cc23)cc(F)cc1	PC-id_81251734	360.672	LRNIBHDWSYGIJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105264
Clc1cc2c(s1)CCC2Nc1cc(Br)c(cc1C)F	PC-id_107591328	360.672	SNWBMUACHFWMEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105265
Clc1cc2c(s1)CCC2Nc1cc(F)c(cc1C)Br	PC-id_116460812	360.672	NXOUEVSVKJWOFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105266
Fc1cc(Br)c(cc1C(c1sc2c(c1)CCC2)N)Cl	PC-id_105398683	360.672	DZFGWYHKURHTOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105267
NC(c1ccc(c(c1F)Cl)Br)c1sc2c(c1)CCC2	PC-id_106764510	360.672	NHCSHNWYERLNBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105268
Clc1c(C(NCc2sc3c(CCC3)c2)C)ccc(Cl)c1Cl	PC-id_63452712	360.729	BPAXGPVIZMUBEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105269
CCC(=O)Cc1c(n2c(n1)N=N/C/2=NC(=O)Nc1ccc(cc1)Cl)O	PC-id_135441692	360.755	RFRMAORTBZMFGO-XMHGGMMESA-N	00000011100000110001000010000000000000000000000000000000	25-01-105270
CCC(=O)Cc1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O	PC-id_135527636	360.755	RFRMAORTBZMFGO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-105271
CCC(=O)CC1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O	LI_194279,NSC382894,PC-id_343441,ZINC22_5664360,CoCoCo_5636937	360.755	XMOZKDXWCCBJBA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-105272
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008958,MCULE-1405922432	360.777	WJOIFSVPCNAMPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105273
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1CCl	MCULE-1594913574,EMOLS-id_331006652	360.777	WRMXCJHADOOYDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105274
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1CCl	MCULE-8620906143,EMOLS-id_331009214	360.777	UTQGXDPYRSBVIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105275
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331006396,MCULE-3570573229	360.777	XPRXBOUGEOHOCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105276
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331008702,MCULE-6305673314	360.777	GVPMCKKBOPJNHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105277
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1CCl	MCULE-2910127618,EMOLS-id_331010224	360.777	GVDKULXDKANDQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105278
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009470,MCULE-4222321689	360.777	VGQGAVSYTWVCAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105279
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1CCl	MCULE-2638278614,EMOLS-id_331010480	360.777	JDKLTBNYUVRSLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105280
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1CCl	EMOLS-id_331009983,MCULE-9283658583	360.777	IEVOTCFGCKUDOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105281
C1Cc2c(C1)sc(c2C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F)N	SCHEMBL20339217,PC-id_135187189	360.782	PACKOQUBMGYVOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105282
FC(F)(F)c1cccc(CNC(=O)C2CCc3ncsc23)c1Cl	BindingDB_PC-id_78318288,PC-id_78318288,BindingDB-id_412909,SCHEMBL15903984	360.782	LWMHJXDCGBUTDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105283
COCCCc1cc2n(c1C(=O)c1ccc(cc1)Cl)CC[C@H]2C(=O)[O-]	GD-id_ZINC27977992	360.811	XPSMURFGUBHFAO-OAHLLOKOSA-M	00000010100000110000000010000000000000000000000000000000	25-01-105284
CC(=O)OC1C(c2c(C1OC(=O)C)scc2)NC(=O)NCCCl	PC-id_91602029,SCHEMBL3727702	360.813	JEAJMTILOXSSIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105285
CC(=O)O[C@@H]1[C@H](NC(=O)NCCCl)c2c([C@@H]1OC(=O)C)scc2	PC-id_68763487,SCHEMBL3727699	360.813	JEAJMTILOXSSIC-IJLUTSLNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105286
c1(NC(=O)COC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-9038681151,CoCoCo_375904,ChEMBL-DNDi_CHEMBLF3098-8696,ZINC22_812732,EMOLS-id_1508493,BAS-08765166,PC-id_1092079	360.815	PZCBLOMWIYYKSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105287
Clc1c(c2nc(on2)COC(=O)c2sc3CCCc3c2)cccc1	PC-id_8218838	360.815	CGBVVGINCGOJGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105288
Clc1ccc(c2nc(on2)COC(=O)c2sc3CCCc3c2)cc1	PC-id_8522595	360.815	MHDIDSOXPLRLBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105289
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_7574893	360.815	FZZGXLPNMAYTQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105290
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_1638302	360.815	ALOGCVDVQGAKKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105291
Clc1c([N+](=O)[O-])cc(/N=c/2snc3SC(Cn23)(C)C)c(F)c1	PC-id_14406433	360.815	OGIHZPPVDGXEAQ-GDNBJRDFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105292
Fc1cc(Cl)c(cc1N=c1snc2n1CC(S2)(C)C)[N+](=O)[O-]	SCHEMBL10544684	360.815	OGIHZPPVDGXEAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105293
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2	CoCoCo_2840944,MCULE-7538810629,EMOLS-id_3466250,PC-id_4804293,ZINC22_6932559	360.815	XOCNTBCVULNOKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105294
N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1Cl	MCULE-1770820755,PC-id_4800637,EMOLS-id_3454401,CoCoCo_2840777,ZINC22_5308216	360.815	BIKJZFOVDVPNIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105295
O=C(OCc1nc(c2cccc(Cl)c2)no1)c1cc2c(s1)CCC2	EMOLS-id_11924220,MCULE-9844119603,PC-id_8218850,CoCoCo_4014906,ZINC22_7089277	360.815	GUXLWXFMASOTLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105296
O=C(OCc1nnc(c2ccc(Cl)cc2)o1)c1cc2c(s1)CCC2	ZINC22_5308116,PC-id_7623586,EMOLS-id_31833167,MCULE-7993076160	360.815	VNGDTCPEEBYPCX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105297
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)Cc3cccc(Cl)c3)C2)n1	MCULE-7255976954,EMOLS-id_316329791	360.838	VEDRZRLGHKAFRW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105298
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)Cc3cccc(Cl)c3)C2)n1	MCULE-4516245673	360.838	VEDRZRLGHKAFRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105299
Clc1cccc(c1)C1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420412	360.838	LFTCJKTVIPGHNJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105300
Clc1ccc(cc1)C1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436645	360.838	YCGWQFIWHSPNDB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105301
Clc1ccc(cc1)[C@@H]1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101423004	360.838	YCGWQFIWHSPNDB-VDSRIPIWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105302
Clc1cc(ccc1CN1CCOCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_99384060	360.838	FWKRMHUQYIJUTN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105303
Clc1ccc(cc1)N1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_98910239	360.838	OOUMFIHSYDGDCU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105304
O=C(c1cnc2n1CCC2)N1CCN(CC1)Cc1ccc(c(c1)Cl)O	EMOLS-id_316666755	360.838	DHVNNKFHVVTSLW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105305
O=C(c1cnn2c1CCC2)N1CCN(CC1)Cc1ccc(c(c1)Cl)O	EMOLS-id_319488600	360.838	VQGSVNLCOQXSGW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105306
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1ccc(c(c1)Cl)O	MCULE-3080881623,EMOLS-id_320160287	360.838	LGDUWAIHJUMFOM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105307
O[C@@H]1CCN([C@@H]1c1ccc(cc1)Cl)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_102215356	360.838	VYAKVNSPHPJXNA-XZQMRNSJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105308
O=C(N1CCOC(C1)c1ccccc1Cl)NC1CC(n2c1ncc2)C	EMOLS-id_101414239	360.838	FNOJKIXYVIQHJW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105309
c1(CN(C)Cc2c3CCCc3[nH]n2)c(Cl)n(nc1c1cc(on1)C)C	ZINC22_215583051,PC-id_77086402,EMOLS-id_49880146,MCULE-9028427610	360.841	QNLLKZXAMUZNJE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-105310
Clc1cc(N2CCN(CC2)C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52380250	360.841	FNNPQPGYWYEJRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105311
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)NC	MCULE-2653935197,PC-id_72073381	360.858	QHGWWVDVBHOVAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105312
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-4461351308	360.858	FQMPGINFTQQJCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105313
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NC	MCULE-9298664405	360.858	IEXLFNIMHSHIOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105314
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-2276058490,PC-id_17102705,ZINC22_9142113,EMOLS-id_327804328	360.858	ISHXXAPRURSMPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105315
c1(NC(=O)CCCOc2ccccc2Cl)sc2c(CCC2)c1C#N	MCULE-4834102871,EMOLS-id_322626626	360.858	NZJTVNMSIVKNTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105316
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-7999900634,EMOLS-id_322627394	360.858	OFAXWUXXEQLWOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105317
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)sc2c(CCC2)c1C#N	PC-id_2970726,TIMTEC394316,MCULE-6613354615,EMOLS-id_2496747	360.858	PZOFNWUCEWCCMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105318
c1(NC(=O)COc2c(C)cc(cc2Cl)C)sc2c(CCC2)c1C#N	MCULE-7565890565,BAS-04435851,ZINC22_782898,EMOLS-id_1452958,PC-id_1074682,CoCoCo_322418	360.858	IHFUQCLDRXJHPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105319
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_6777679,CoCoCo_1961344,SPECS-id_AK-968/15252926,ZINC22_672943,PC-id_1012111,TIMTEC548240,MCULE-1703742379	360.858	XJISMYLGAVQYSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105320
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_4750087,PC-id_7346625,CoCoCo_541409	360.858	PZOFNWUCEWCCMZ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-105321
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_4750088,PC-id_7346626,CoCoCo_541410	360.858	PZOFNWUCEWCCMZ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105322
Clc1c(cc(OC(C(=O)Nc2sc3CCCc3c2C#N)C)cc1)C	PC-id_4389444	360.858	XUGZUFDGQBUXIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105323
CNC(=O)c1c(NC(=O)/C=Cc2ccccc2Cl)sc2c1CCC2	CoCoCo_2580147	360.858	QHGWWVDVBHOVAS-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105324
CNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2	ZINC22_4335443,CoCoCo_2580146,ChemDIVG786-0640,EMOLS-id_27175906,CHEMBL1602121,PC-id_7195551	360.858	QHGWWVDVBHOVAS-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105325
CNC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2CCCc12	EMOLS-id_334328021	360.858	IEXLFNIMHSHIOO-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105326
CNC(=O)c1c(NC(=O)/C=Cc2ccc(Cl)cc2)sc2CCCc12	EMOLS-id_334330581	360.858	FQMPGINFTQQJCX-YFHOEESVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105327
N#Cc1c(NC(=O)[C@@H](Oc2ccc(c(c2)C)Cl)C)sc2c1CCC2	CoCoCo_1961345	360.858	XUGZUFDGQBUXIJ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-105328
N#Cc1c(NC(=O)[C@H](Oc2ccc(c(c2)C)Cl)C)sc2c1CCC2	CoCoCo_1961346	360.858	XUGZUFDGQBUXIJ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105329
Clc1ccc(Sc2ccc(CNCc3nnc4CCCn34)o2)cc1	ZINC22_63833818,MCULE-1030258427,EMOLS-id_31602990,PC-id_46983529	360.861	LQHKRBRCXOBWIQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-105330
Clc1nc2sccn2c1S(=O)(=O)Nc1sc2CCCc2n1	PC-id_61511781	360.863	DGFSMYQWZYKMIG-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-105331
CC(COc1ccccc1CNC(=O)c1c2CCCc2c(n1C)Cl)C	PC-id_145969169	360.878	XUTYCDDDHNLXNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105332
Clc1cccc(c1)C(N1CCOCC1)CNC1CC(n2c1ncc2)C	EMOLS-id_318362939	360.881	LYNPAAFHIDFNTQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105333
Clc1ccc(cc1)C(N1CCOCC1)CNCc1cnc2n1CCC2	EMOLS-id_318389762	360.881	XKSDRRGDKDBEBQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105334
Clc1ccc([C@@H]([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_9336519	360.881	FKGHZKUIPFDJLU-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-105335
Clc1ccc([C@H]([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_9336523	360.881	FKGHZKUIPFDJLU-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105336
Clc1ccc(C([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_84983890	360.881	FKGHZKUIPFDJLU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105337
Clc1ccc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc1	PC-id_2698839	360.881	GRQPJKXDNXLMPY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105338
Clc1cc([C@@H]([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)ccc1	PC-id_9331751	360.881	DXBOIBVVFJRMNW-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-105339
Clc1cc([C@H]([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)ccc1	PC-id_9331757	360.881	DXBOIBVVFJRMNW-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105340
Clc1cc(C([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)ccc1	PC-id_84982366	360.881	DXBOIBVVFJRMNW-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105341
Clc1cc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)ccc1	PC-id_8111609	360.881	HMVZBSXTKMCXOZ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105342
Clc1c([C@@H]([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_9307310	360.881	AFGJLLSVLPDSAB-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-105343
Clc1c([C@H]([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_9307312	360.881	AFGJLLSVLPDSAB-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105344
Clc1c(C([NH2+]CC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_84975835	360.881	AFGJLLSVLPDSAB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105345
Clc1c(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cccc1	PC-id_8112011	360.881	ZCQHAZQLMRJMGY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-105346
Clc1cc(CN2CCN(CC2)C(=O)c2sc3c(CCC3)c2)ccc1	PC-id_9183297	360.901	IPRXPIBPUGHOBK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105347
Clc1cc(N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)c(cc1)C	PC-id_9272762	360.901	SXQQPCSOKRDOJM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105348
C1=CSC2=C1C(C(C2=O)OC(=O)C(F)(F)F)NC(=O)C(F)(F)F	PC-id_160085584	360.984	OSMOZMKSTLWSJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105349
C1=CSC2=C1[C@H]([C@@H](C2=O)OC(=O)C(F)(F)F)NC(=O)C(F)(F)F	PC-id_153785749	360.984	OSMOZMKSTLWSJW-XINAWCOVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105350
CCOC(CN1C(=O)C2=C(C1(C)C)SC(=C2)Br)OCC	PC-id_151083262	361.035	MKOOKKFPCHHULW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105351
CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N2)SCCCBr	PC-id_153944124	361.046	CERTVEWQVGDBJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105352
BrCc1c(I)sc2CSCc12	EMOLS-id_331059501,MCULE-1082626928	361.061	NXSBBBWWNVLSOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105353
c1cc(cc(c1)O)Cc1nnc2n1NC(S2)Nc1c(c(ccc1)F)F	PC-id_164021895	361.081	VAEUTCDPCSAXIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105354
OC(=O)C1COc2c1sc(n2)S(#P)I	SCHEMBL18250967	361.117	UVKCLUHXKVLDDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105355
Cc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1C	CHEMBL1493563,PC-id_3239738,ChEMBL-DNDi_CHEMBL1493563,ChEMBL-DNDi_CHEMBLF0541-0049,CoCoCo_2666491,PD110154	361.15	TXTQWAFODJRQKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105356
CC1=CC=C(C=C1)C(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N	PC-id_165180396	361.154	ALDSPQZGRAHBGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105357
c1(C(F)F)c2CCCc2n(CC(=O)Nc2ncc(Cl)cc2Cl)n1	PC-id_19591218,EMOLS-id_8867978,ZINC22_36614190,MCULE-7557659120,TIMTEC569778	361.174	YHGXAOFUDCIJPP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-105358
C=CC(=O)Nc1ccc(C(=O)N2CCn3ncc(Br)c23)cc1	ZINC22_1875371235	361.193	URFRRIZCJURXHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105359
Cn1ncc2c1CN(C(=O)c1cccn1c1c(Cl)cccc1Cl)C2	ZINC22_1569379353	361.225	YQLGZPZYNNFRNF-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-105360
C[C@@H]1CN(C[C@@H](O1)C)C(=C)C2=NN(C3=C2CCC3)CC(=O)OC(C)(C)C	PC-id_153575492	361.237	GNKFELYAMTZHCN-OKILXGFUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105361
Clc1cc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)ccc1Cl	PC-id_16588357	361.247	LHQWTJJREDABJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105362
Clc1cc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc(Cl)c1	PC-id_16621889	361.247	HMETYKSOPQYRBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105363
Clc1c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cccc1Cl	PC-id_16588363	361.247	OVSHVBYEMSGPDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105364
Clc1c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc(Cl)cc1	PC-id_16588358	361.247	NUMYLOIAZSBNCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105365
Clc1c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)c(Cl)ccc1	PC-id_16588365	361.247	GQPDGCUNBURORR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105366
c12CN(Cc1sc(Br)c2C(=O)NC)C(=O)OC(C)(C)C	EMOLS-id_331066148,MCULE-1003587025	361.255	LKMKUTBQLSVSPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105367
Brc1ccc(CC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_4038813,CoCoCo_6818299,TIMTEC299682,GD-id_ZINC17074374,MCULE-1598804610,ZINC22_17074374,PC-id_17374713	361.256	LXZURUDHHFFVDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105368
Brc1cc(C(=O)Nc2sc3CCCc3c2C#N)c(cc1)C	PC-id_65312038	361.256	LYGYZIABQWTOAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105369
Brc1c(c(C(=O)Nc2sc3CCCc3c2C#N)ccc1)C	PC-id_65573058	361.256	CEMZVEIGSQRUNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105370
Brc1cc(C(=O)Nc2sc3CCCc3c2C#N)ccc1C	PC-id_79489932	361.256	UCKPDXBFPOQNRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105371
Brc1c(C(=O)Nc2sc3CCCc3c2C#N)cc(cc1)C	PC-id_81003275	361.256	TWPMZBKVNCRHOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105372
Brc1c(C(=O)Nc2sc3CCCc3c2C#N)ccc(c1)C	PC-id_81788386	361.256	OYAOGHKVVCDRIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105373
BrCc1ccc(cc1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_102850885	361.256	ZNMJKRKVCIBTGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105374
N#Cc1c(NC(=O)c2cccc(c2Br)C)sc2c1CCC2	PC-id_103857099	361.256	SCIKLIMVOHRRMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105375
N#Cc1c(NC(=O)c2ccc(c(c2)C)Br)sc2c1CCC2	PC-id_115772368	361.256	OYARSPJKYVXHJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105376
N#Cc1c(NC(=O)c2cc(C)cc(c2)Br)sc2c1CCC2	PC-id_104852028	361.256	CYXZHXKCXHTNDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105377
BrCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-4648193691,EMOLS-id_328214907	361.276	MCNZJCFIVKIERX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105378
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)OCC1CC1	MCULE-6982230195,EMOLS-id_330965245	361.276	ULSPJTZCIUEBQE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105379
CC1CCc2c1c(CBr)nn2Cc1cccc(OC2CC2)c1	EMOLS-id_331032832,MCULE-3547118878	361.276	NEMJWQMVUXFORH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105380
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(CBr)c12	EMOLS-id_331011770,MCULE-9040258648	361.276	KZCLMJQUYGMBOQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105381
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(Br)c12	MCULE-8240971002,EMOLS-id_331016873	361.276	RCFYEHQZIRITNO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105382
Brc1ccc(c(c1)NCc1cnc2n1CCC2)N1CCCC1	EMOLS-id_318389257	361.279	CUAZHIFEISZULG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105383
Fc1ccc(c2oc(=O)n(n2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_69481403,SCHEMBL5542722	361.285	ROPPFQRJTBATDQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105384
C1C(Sc2nc(cn12)[N+](=O)[O-])COc1ccc(cc1)OC(F)(F)F	PC-id_137662289	361.296	DBWHHGOALLVRRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105385
CC1CCc2c1c(CBr)nn2Cc1ccc(cc1)C(C)(C)C	EMOLS-id_331027470,MCULE-2007079811	361.319	DBGCLHDHSCSANY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105386
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(CBr)c12	MCULE-9938066207,EMOLS-id_331010488	361.319	BQABNDHASWJFEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105387
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016625,MCULE-6731496988	361.319	WPQNEZBPNMQTLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105388
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1CBr	MCULE-8952274934,EMOLS-id_331016881	361.319	KWVGZUWTFDQTBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105389
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CBr	MCULE-1945216003,EMOLS-id_331017393	361.319	JYUIGGALFOZCHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105390
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1CBr	MCULE-6433186413,EMOLS-id_331017137	361.319	GUGQRQCGDQCOSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105391
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1CBr	MCULE-9192035073,EMOLS-id_331014324	361.319	CBBNMRZRHJATQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105392
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1	MCULE-5263743098,EMOLS-id_331010232	361.319	GLYGKBVYNJWPGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105393
CC(C)Cc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1	EMOLS-id_331027214,MCULE-1850951042	361.319	MPUMSCDYBYMDSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105394
FC(F)(F)c1cccc(c1)c1cnnc(NCc2nnc3CCCn23)n1	CoCoCo_1426544,MCULE-9195842523,PC-id_28139615,ZINC22_19338087,EMOLS-id_20605619	361.324	ZKMKBHDGBWVIBY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105395
Cn1ncc2c1CN(C2)S(=O)(=O)Cc1ccc(cc1)OC(F)(F)F	EMOLS-id_318180762	361.339	MMIQVZGBAIBNAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105396
OCC1c2n[nH]cc2[C@H](N1S(=O)(=O)c1ccc(cc1)C(F)(F)F)C	SCHEMBL12326731,PC-id_68244047	361.339	IZGJEXHALLSEQJ-SZSXPDSJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105397
CCOC(=O)c1c2n(nc1C(CO)(F)F)CCN2C(=O)OC(C)(C)C	SCHEMBL18740207	361.341	KCTPOYSEWBJOQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105398
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCc1onc(n1)C(F)(F)F	EMOLS-id_316596208	361.343	ZNJYRNCKJGKZPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105399
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(OC)c(c(OC)c1)OC)C	STOCK6S-74006,MCULE-3236605370,PC-id_135629426,EMOLS-id_24584207	361.353	YWGGPFMBRCCMKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105400
CCOc1cc(C(=O)NCc2nnc3n2CCC3)c([N+](=O)[O-])cc1OC	PC-id_17538737,ZINC22_12777994,CoCoCo_4560514,MCULE-7014668940,EMOLS-id_16792909	361.353	PWCITDSWZIQWFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105401
COc1cc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc(OC)c1OC	PC-id_135950571,ZINC22_20744915	361.353	YWGGPFMBRCCMKX-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-105402
COc1cc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc(OC)c1OC	ZINC22_20744914,PC-id_135950570	361.353	YWGGPFMBRCCMKX-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105403
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@@H](CCO)[C@@H](CO)C1	ZINC22_1124101490	361.359	DNGPQBMYRIEOQM-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105404
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@@H](CO)[C@H](CCO)C1	ZINC22_1124101491	361.359	DNGPQBMYRIEOQM-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-105405
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@@H](CO)[C@@H](CCO)C1	ZINC22_1124101492	361.359	DNGPQBMYRIEOQM-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105406
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@H](CO)[C@@H](CCO)C1	ZINC22_1124101493	361.359	DNGPQBMYRIEOQM-WDEREUQCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105407
c12CN(Cc1nn(CCF)c2C(=O)OCC)C(=O)OCc1ccccc1	EMOLS-id_324349537,MCULE-3274282780	361.368	QVJKMZQQVZFNAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105408
OCCONC(=O)c1c(Nc2ccc(cc2F)C)n(c2c1CCC2=O)C	PC-id_145524203	361.368	FBOQQZYVMJGXQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105409
O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1n[nH]c2c1CCC2	ZINC22_257297634,PC-id_110157882	361.368	RIFMVNRAKAWWAN-JHNDHUHGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105410
O=C(c1ccco1)Nc1sc2c(c1C(=O)O[C@H]1CCOC1=O)CCC2	CoCoCo_2889329	361.369	JJZKJTNHQYNAGK-NSHDSACASA-N	00000010101000000000000010000000000000000000000000000000	25-01-105411
O=C(c1ccco1)Nc1sc2c(c1C(=O)O[C@@H]1CCOC1=O)CCC2	CoCoCo_2889330	361.369	JJZKJTNHQYNAGK-LLVKDONJSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105412
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC1CCOC1=O	PC-id_42899977	361.369	JJZKJTNHQYNAGK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105413
CNCCOC(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccc1F	PC-id_143492481	361.371	OWCJWCGNLGEQAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105414
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C(=O)N	MCULE-4649334964,EMOLS-id_4038935,TIMTEC576163,PC-id_4503427,SPECS-id_AN-153/J107899,ZINC22_6762021,CoCoCo_6649904	361.372	YOKABJLXPBPGLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105415
c1(NC(=O)c2ccc(c(OC)c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348506,MCULE-7113666148,PC-id_84418756	361.372	DHMCWACXDAPQJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105416
c1(NC(=O)c2cc(OC)ccc2N(=O)=O)sc2c(CCC2)c1C(=O)N	MCULE-5776977009,EMOLS-id_181323326,PC-id_84410648	361.372	FQHFMYXWXWSBQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105417
c1(NC(=O)COc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)N	MCULE-3701055248,CoCoCo_692639,PC-id_1631148,ZINC22_1891917,EMOLS-id_2371742	361.372	FGEXTZKFUQGGAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105418
c1(NC(=O)COc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_4503682,SCHEMBL3397527,MCULE-5369021287,ZINC22_4960413	361.372	KDABESVBLSVLQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105419
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC(=O)C)c2=O)C	MCULE-9824242925	361.372	ZIPMKIXPVFOAJV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105420
s1c2CCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_26872836	361.372	VALRRUHUMOVJQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105421
s1c2CCCc2cc1C(=O)NNC(=O)COc1c([N+](=O)[O-])cccc1	PC-id_27684387	361.372	ZUHOIRDCINUOLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105422
s1c2c(CCC2)c(c1NC(=O)COc1cc([N+](=O)[O-])ccc1)C(=O)N	PC-id_32698790	361.372	NVJWIUKNBCEJMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105423
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1C=CC=NC1=O)C(=O)N	PC-id_78337151	361.372	BEZGIMXYEINUBZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-105424
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc[n+]([O-])cc1)C(=O)N	PC-id_7833898	361.372	CFWFFKLVLFPMNO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105425
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(=O)[nH]ccc1)C(=O)N	PC-id_3919085	361.372	LOUQVEYHHRBTQT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105426
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nccnc1)C(=O)OC	PC-id_41991119	361.372	WUZCYPLMJWVZCC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105427
s1c2CCCc2c(c1NC(=O)COC(=O)COc1noc(c1)C)C#N	PC-id_8375173	361.372	VAMVPAKCWXRKAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105428
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1occc1)C(=O)OC	PC-id_4378950	361.372	HALPQWBTWRCDPD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105429
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1occc1)C(=O)OC	PC-id_9659907	361.372	HALPQWBTWRCDPD-CAOOACKPSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105430
S1c2n(n(c(=N)c2C(=O)OCC)C(=O)c2ccc(OC)cc2)C(=O)C1	PC-id_4384810	361.372	DVFHCTMZMVFARM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105431
S1C(C(=O)n2c1nnc2C)C=Cc1cc(OC)c(OCC(=O)O)cc1	PC-id_18891897	361.372	SNOQQWHIHDXXQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105432
c1(NC(=O)COc2nonc2C(=O)N(C)C)sc2CCCc2c1C#N	EMOLS-id_333662409,MCULE-7527789585	361.376	KDAPQGMYZMQMAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105433
c1(NC(=O)COc2nonc2C(=O)NCC)sc2CCCc2c1C#N	EMOLS-id_333716795,MCULE-7014818234	361.376	URCDVLVWPWOWKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105434
NC(=O)c1c(NC(=O)COC(=O)c2nccnc2N)sc2c1CCC2	EMOLS-id_17164070,PC-id_7631707,ZINC22_5321907,MCULE-1945398918,CoCoCo_4180780	361.376	NGKVAAHFQZYHKH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105435
s1c2CCCc2cc1C(=O)OCC(=O)c1c(F)cc(NC(=O)C)cc1	PC-id_8187331	361.387	OEOFUKGEHPIJHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105436
C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)c2nccn12	ZINC22_333053056	361.389	BWWDGSRWLDPPNB-DOMZBBRYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105437
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)c2nccn12	ZINC22_333053057	361.389	BWWDGSRWLDPPNB-IUODEOHRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105438
C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)c2nccn12	ZINC22_333053058	361.389	BWWDGSRWLDPPNB-SWLSCSKDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105439
C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)c2nccn12	ZINC22_333053059	361.389	BWWDGSRWLDPPNB-WFASDCNBSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105440
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cc(F)ncc1F)C2	EMOLS-id_313734866,ZINC22_1565548968	361.389	KEHMMQOWUWBUOK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-105441
Fc1ccc(c(c1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)F	EMOLS-id_101417175,MCULE-4825677695	361.389	BWWDGSRWLDPPNB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105442
Fc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1F	EMOLS-id_324832509	361.389	GBKLWSBIFNXHTC-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-105443
Fc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c(F)c1	EMOLS-id_324833021	361.389	YBHKULADHFEMDH-MLPAPPSSSA-N	00000000100100110001000010000000000000000000000000000000	25-01-105444
Fc1ccc(F)c(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324834547	361.389	RUDKNTRLJDEURE-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-105445
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)Cc1cccs1	MCULE-6666971683	361.389	YBHKULADHFEMDH-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-105446
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)Cc1cccs1	MCULE-5793517374	361.389	GBKLWSBIFNXHTC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-105447
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)Cc1cccs1	MCULE-1962804918	361.389	RUDKNTRLJDEURE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-105448
O=C(N1CCN(CC1)c1cccc(c1F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101415720	361.389	FKJROTUZOIICEL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105449
CCOc1ccc(cc1)C(=O)c1cc2c(n1Cc1ccccc1)CC(=O)O2	PC-id_18424253,SCHEMBL7674512	361.391	RHKYKFYDWUBYFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105450
COc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_139746957	361.391	PLYUABDXOGJZOB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-105451
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)OCc1ccccc1	PC-id_139746974	361.391	DPDHKWMJNNWFCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105452
CS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960065	361.392	VFJKUFJLVRKECH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105453
s1c2[n+](c(CC(=O)OCC)c1)C(=Cc1c(O)c(OC)ccc1)C(=O)N2	PC-id_51058957	361.392	GWRNVYSTOACSIN-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-105454
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)N(=O)=O	EMOLS-id_328217203,MCULE-9471874594	361.394	OJFFTWHQSNCALB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105455
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1N(=O)=O	MCULE-5132596765,EMOLS-id_328220272	361.394	DZALDWXBAOAZQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105456
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(c1)N(=O)=O	MCULE-6650135670,EMOLS-id_328217971	361.394	SUONEWFGILQFJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105457
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cn1)C(=O)O	EMOLS-id_328223869,MCULE-8327404186	361.394	MTVAKDKQQYOFHI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-105458
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cncc(c1)C(=O)O	EMOLS-id_328221301,MCULE-3787090523	361.394	JADDJEUVXBNWNI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-105459
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1nccc(c1)C(=O)O	MCULE-7169157464,EMOLS-id_328222074	361.394	JMPFAQJSPNLASW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-105460
O=C(C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110448038	361.396	FBBSOZJZIIKIHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105461
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(cc1)/C=C/C(=O)[O-]	PC-id_25569603	361.396	YDAGIOQLOHZKHF-RMKNXTFCSA-M	00000010100000110001000010000000000000000000000000000000	25-01-105462
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(cc1)C=CC(=O)[O-]	PC-id_74463080	361.396	YDAGIOQLOHZKHF-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-105463
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccccn1	MCULE-2251652851	361.397	TVBAOFGPTRODHV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105464
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cccnc1	MCULE-4489371441	361.397	ULSRABZJRXHSFI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105465
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccncc1	MCULE-5450447634	361.397	RKBVNYJAFAWLLU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105466
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccccn1	MCULE-3245961288,EMOLS-id_316318004	361.397	TVBAOFGPTRODHV-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105467
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cccnc1	MCULE-2881416293,EMOLS-id_316318523	361.397	ULSRABZJRXHSFI-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105468
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccncc1	MCULE-2676894865,EMOLS-id_316318010	361.397	RKBVNYJAFAWLLU-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105469
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	PC-id_68439958,SCHEMBL2916464	361.397	GMKWWLOXCGFZRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105470
Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2915662,PC-id_68439695	361.397	UBZJUDGTGKHIFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105471
O=C(Cc1ccccc1)Nc1[nH]nc2c1CN(C(=O)Nc1ccccc1)C2	PC-id_23645988,SCHEMBL2923011,CHEMBL203707,BindingDB-id_21793,BindingDB_PC-id_23645988	361.397	QAROPOMHRWJDMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105472
O=C(N1Cc2c(C1)c(n[nH]2)NC(=O)c1ccccc1)NCc1ccccc1	SCHEMBL2920110,PC-id_68441178	361.397	GABIJUPKJRHHIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105473
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1C)Nc1ccccc1	SCHEMBL2919783,PC-id_68441059	361.397	HCWIUZMVAMAGGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105474
S1C(=CP(=O)(OC(C)C)OC(C)C)C(OCC)(n2ncnc12)C	PC-id_14062757	361.397	NLECNEMPSOAHJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105475
Cn1c(O)nnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1875404892	361.399	ZOJJWKKRVYINTP-HOSYDEDBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-105476
O=C(NCc1n2CCCc2nn1)Nc1ccc(/N=N/c2ccccc2)cc1	PC-id_60446400	361.4	LGJBQVXIUJDXMY-GHVJWSGMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105477
s1c2CCCc2c(c1NC(=O)CNC(c1cc(F)c(F)cc1)C)C#N	PC-id_84995659	361.409	OYRKKGQBQDFIPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105478
s1c2CCCc2c(c1NC(=O)CNC(c1c(F)cc(F)cc1)C)C#N	PC-id_84994209	361.409	YGWQVTFGLXUMEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105479
s1c2CCCc2c(c1NC(=O)CN[C@H](c1cc(F)c(F)cc1)C)C#N	PC-id_9377098	361.409	OYRKKGQBQDFIPQ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-105480
s1c2CCCc2c(c1NC(=O)CN[C@@H](c1cc(F)c(F)cc1)C)C#N	PC-id_9377102	361.409	OYRKKGQBQDFIPQ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105481
s1c2CCCc2c(c1NC(=O)CN[C@H](c1c(F)cc(F)cc1)C)C#N	PC-id_9370491	361.409	YGWQVTFGLXUMEN-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-105482
s1c2CCCc2c(c1NC(=O)CN[C@@H](c1c(F)cc(F)cc1)C)C#N	PC-id_9370496	361.409	YGWQVTFGLXUMEN-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105483
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)OC	PC-id_4598850,ZINC22_2746689,EMOLS-id_4039112,MCULE-6577738111,CoCoCo_5820182,TIMTEC79324	361.412	BMCZLULDIZICJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105484
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)OC	STOCK2S-64342,CoCoCo_187555,ZINC22_622562,BAS-01292328,EMOLS-id_604027,PC-id_978680,SPECS-id_AT-225/NB60161,MCULE-9211735220	361.412	OFLPIOWTOPPMEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105485
c1(NC(=O)c2cccc(OC)c2OC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4039118,PC-id_4681881,ZINC22_2763186,TIMTEC175275,MCULE-9703282933,CoCoCo_5831883	361.412	GPGKTXHQWDHENU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105486
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	SPECS-id_AF-399/13428269,MCULE-7170662169,BAS-01292326,EMOLS-id_604025,CoCoCo_187554,ZINC22_622561,PC-id_978679,SPECS-id_AT-225/NB60160,ChEMBL-DNDi_CHEMBL2798-1092,STOCK2S-61274	361.412	LGVMGFLQWOKKHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105487
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)OC	TIMTEC404878,EMOLS-id_1094144,MCULE-5666274154,PC-id_1167079,ChEMBL-DNDi_CHEMBL4789-2563,STOCK3S-46532,BAS-03753320,CoCoCo_306271,ZINC22_921124	361.412	QLISSZFUSXFSGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105488
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129529,PC-id_28860281,MCULE-8658711947	361.412	BDIMHNBIJRDQHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105489
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	TIMTEC128569,SCHEMBL8290673,PC-id_978706,SPECS-id_AT-225/NB60175,EMOLS-id_604055,CoCoCo_722762,SPECS-id_AF-399/13428275,ZINC22_622595,Chemmine_7007,MCULE-9584635124	361.412	DPCYOAPCAYFOMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105490
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)OC	ZINC22_622419,SPECS-id_AF-399/13426012,PC-id_978570,BAS-01292355,CoCoCo_187562,MCULE-6844801177,SPECS-id_AT-225/NB59988,Chemmine_7022,ChEMBL-DNDi_CHEMBL2798-1121,EMOLS-id_603693	361.412	LHXACYJZGUSYOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105491
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)OC	PC-id_1653945,MCULE-6536994635	361.412	NPDCIPIXHGSCQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105492
Cc1cc2n(c1S(=O)(=O)C)CC(C2(C(=O)O)C(=O)c1ccccc1)C	PC-id_70586817,SCHEMBL11441852	361.412	LWAZGYODAWNHCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105493
CCc1ccc(cc1)C(=O)c1n2CCC(c2cc1S(=O)(=O)C)C(=O)O	PC-id_20235077,SCHEMBL10812453	361.412	GUVIVLULJWKDNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105494
CCCS(=O)(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_23333066,SCHEMBL11437104	361.412	JJZKTYOMQGOHNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105495
CCCS(=O)(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11436162,PC-id_23333111	361.412	NFFGGEILNGMJJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105496
CCCS(=O)(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL11436163,PC-id_70585686	361.412	KOQKVWBHMLTYOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105497
CCOc1ccc(cc1)C(=O)c1c(cc2n1CCC2C(=O)O)S(=O)C	PC-id_20235132,SCHEMBL10899624	361.412	DPTYPBHFBIESMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105498
CCOc1ccc(cc1)C(=O)c1c(SC)cc2n1CCC2OC(=O)O	PC-id_70450254,SCHEMBL10816794	361.412	JGQHIUMCUGCNNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105499
CCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C	PC-id_23333143,SCHEMBL11443427	361.412	HKXARVVEQKTFEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105500
CCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C	PC-id_70587148,SCHEMBL11443429	361.412	JDDHZXPPTXIKLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105501
COc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)c(OC)c1	MCULE-8553137251,ZINC22_4581370,CoCoCo_2840732,PC-id_4203502,EMOLS-id_11847173	361.412	UZFJEEOKJZOVNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105502
COc1ccc(OC)c(NC(=O)COC(=O)c2cc3CCCc3s2)c1	EMOLS-id_3253220,CoCoCo_2840938,CHEMBL1571442,PC-id_2085621,ZINC22_2623659,BindingDB-id_91438,BindingDB_PC-id_2085621,MCULE-2546801190	361.412	UFLBSPDMFHIDTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105503
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C)S(=O)(=O)C	SCHEMBL10809937,PC-id_20235120	361.412	JOJGXKBODFAZJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105504
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)CC	PC-id_23333092,SCHEMBL11451467	361.412	PVTODEGLEDOTKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105505
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)CC	PC-id_23333129,SCHEMBL11451487	361.412	IZPQHRNDDWZZEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105506
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)CC	SCHEMBL11441804,PC-id_70586803	361.412	QAFBSWNRCXFTGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105507
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)S(=O)(=O)C)C	SCHEMBL11441850,PC-id_23333125	361.412	YYZIANOHFRDWEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105508
COC(=O)C1(CCn2c1ccc2C(=O)c1sccc1CC)C(=O)OC	PC-id_20073604,SCHEMBL9792205	361.412	COSTXIIPPFWJKF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-105509
COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C	CoCoCo_2840903,EMOLS-id_24024467,MCULE-7347967306,ZINC22_9070204,PC-id_40925200	361.412	DMHLIPROXUEHRG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105510
OCCC(N1C(=O)c2c(C1=O)csc2)c1ccc(c(c1)OCC)OC	SCHEMBL2987098,PC-id_68467327	361.412	BEAYYCCSEPGZEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105511
OCCC(N1C(=O)c2c(C1=O)csc2)c1ccc(c(c1)OC)OCC	PC-id_68469087,SCHEMBL2992227	361.412	IGCQHQUBNRTAJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105512
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)C(C)C	PC-id_23333119,SCHEMBL11441799	361.412	PLYOSTMQNIZLKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105513
OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C(C)C	PC-id_70585832,SCHEMBL11437036	361.412	ZIIBVHSTWFXNGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105514
s1c2CCCc2cc1C(=O)Nc1c(cc(OC)c(OC)c1)C(=O)OC	PC-id_51151349	361.412	LDTLKTRJKYRUSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105515
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(OC)cc(OC)c1	PC-id_3637193	361.412	FWMTURQJEXSLBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105516
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(OC)c(OC)cc1	PC-id_3379925	361.412	RXBJXGUCITZKRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105517
s1c2c(CCC2)c(c1NC(=O)c1c(OC)ccc(OC)c1)C(=O)OC	PC-id_16848769	361.412	VCLCETMVEIJTNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105518
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)OC(C)(C)C)(C)C)nc(cc1)C	SCHEMBL3326904,PC-id_59333916	361.414	LHENDRFGTNMTJE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-105519
c1(NC(=O)CNC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336940,MCULE-8490041161	361.415	RLSYOYUKGINJGA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105520
Cc1cc(cc(=O)o1)OC1CCN(C1)C(=O)Cn1c2c(CSC2)cn1	PC-id_90628795	361.415	CVFNMZTYYVNKTQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105521
CCCc1nc2s/c(=Cc3cc(OC)c(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324847840	361.415	OPGHNGMQIDUECJ-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-105522
CCCOc1ccc(/C=c/2sc3nc(COC)nn3c2=O)cc1OC	EMOLS-id_324901893	361.415	IDOGGGRORNLMEK-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105523
CCOc1ccc(/C=c/2sc3nc(COC)nn3c2=O)cc1OCC	EMOLS-id_324900869	361.415	SNWSCSGUTWIGAS-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105524
CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1onc2CCCc12	CoCoCo_5123875,EMOLS-id_16850899,PC-id_16942420,ZINC22_8976511,MCULE-7096316085,Chemmine_45377	361.415	CWXLRGZPUGXAIJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105525
CN(C)C(=O)COCc1nc2CN(Cc2o1)C(=O)/C=C/c1cccs1	EMOLS-id_313783960,ZINC22_2055772986	361.415	GIZXBQQWNQRHRF-AATRIKPKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105526
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc(OC)c1OC	EMOLS-id_324845802	361.415	NFHFZMNGWCBMII-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105527
COc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCC3)cc1OC	CoCoCo_4626360,EMOLS-id_29994461,MCULE-1923614269,ZINC22_25768581,PC-id_33040260	361.415	KWAXXDJAUXYEFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105528
n12c(=O)c(=Cc3cc(c(OC)c(OC)c3)OC)sc1nc(C(C)C)n2	MCULE-2463208893	361.415	NFHFZMNGWCBMII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105529
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)COC	MCULE-2452419145	361.415	IDOGGGRORNLMEK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105530
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)COC	MCULE-7679497633	361.415	SNWSCSGUTWIGAS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105531
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)CCC	MCULE-1181919491	361.415	OPGHNGMQIDUECJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105532
O=C1CCN(C(=O)N1)CC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170404	361.415	OFHOLRLWVXSNGE-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-105533
O=C(Nc1onc2c1CCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC22_8976378,CoCoCo_5123831,PC-id_16828678,EMOLS-id_12336441,MCULE-3832297244	361.415	ZIJVFTKZJGHDTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105534
s1c2CCCc2cc1C(=O)NNC(=O)CCCNC(=O)c1occc1	PC-id_27684582	361.415	RRAXDHACRYUXDD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105535
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1n(ccc1)C)C)C(=O)N	PC-id_8740808	361.415	DTETVKVVNHNMRJ-VIFPVBQESA-N	00000010110000000000000010000000000000000000000000000000	25-01-105536
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1n(ccc1)C)C)C(=O)N	PC-id_8740809	361.415	DTETVKVVNHNMRJ-SECBINFHSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105537
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1n(ccc1)C)C)C(=O)N	PC-id_84827039	361.415	DTETVKVVNHNMRJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105538
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC	PC-id_16947991	361.415	RZGVTHRWKMBUDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105539
C1Cc2c(C1)sc(c2C#N)NC(=O)c1cc(ccc1)Oc1ccccn1	PC-id_90596744	361.417	HYDHBGIENMECKZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-105540
C1=CC=CC(=CC=C1)NC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1	PC-id_88100410	361.417	ZOUKXCVUTYDRMV-UHFFFAOYSA-N	00000010110000000110000010000000000000000000000000000000	25-01-105541
Cc1ccc(/C=C/c2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)cc1	EMOLS-id_324918799	361.417	UOLFBYHDPMIKCK-LWINHUFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105542
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)cc1	EMOLS-id_324917517	361.417	IDJUNHXPRKFHJB-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-105543
Cc1ccc(O)c(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_324918794	361.417	LYBHBKYMWIRZKJ-AODRXXHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105544
COc1ccccc1/C=c
/sc2nc(/C=C/c3ccccc3)nn2c1=O	ZINC22_16807411	361.417	HYQAOBLVHBJZBH-AETJLUGGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105545
COc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	ZINC22_27021519,EMOLS-id_45970094	361.417	HYQAOBLVHBJZBH-VBEVGYOXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105546
COc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_16779393	361.417	HTJQABRPXXIVON-AAMUTCKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105547
COc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021605,EMOLS-id_45970128	361.417	HTJQABRPXXIVON-XTPUDKEYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105548
COc1ccc(/C=C/c2nc3s/c(=C/c4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_45970298,ZINC22_16779416	361.417	PKCCCIAGIMPTFD-AAMUTCKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105549
COc1cccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_16807413	361.417	BTHRMUXUWVYGKE-DWLYSLLYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105550
COc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_27021599,EMOLS-id_45970126	361.417	BTHRMUXUWVYGKE-HNMBUVAWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105551
n12nc(nc1sc(=Cc1ccccc1)c2=O)C=Cc1ccc(cc1)OC	MCULE-2127513009	361.417	PKCCCIAGIMPTFD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105552
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)C=Cc1ccccc1	MCULE-2532207870	361.417	LYBHBKYMWIRZKJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105553
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)C=Cc1ccccc1	MCULE-8101460071	361.417	HYQAOBLVHBJZBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105554
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)C=Cc1ccccc1	MCULE-9373543565	361.417	HTJQABRPXXIVON-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105555
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-3851788055	361.417	UOLFBYHDPMIKCK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105556
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)C=Cc1ccccc1	MCULE-5323691816	361.417	BTHRMUXUWVYGKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105557
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)C=Cc1ccc(cc1)C	MCULE-3290401336	361.417	IDJUNHXPRKFHJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105558
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)NC1=CC=CC=CC=C1	SCHEMBL7148837	361.417	ZOUKXCVUTYDRMV-LFHRPTODSA-N	00000010110000000110000010000000000000000000000000000000	25-01-105559
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)CCC(=O)c1cccs1	SCHEMBL2918543,PC-id_68440649	361.419	BMCCSFVSCSMBTP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105560
O=C(c1ccccn1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100175879	361.419	VGOQEDYDFDPWAH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-105561
O=C(NCc1nnc2n1CCC2)c1cccc(N2CCCS2(=O)=O)c1	EMOLS-id_31371079,ZINC22_22192360,MCULE-1775066948,PC-id_30094920	361.419	YIURINYRFWWVFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105562
S(=O)(=O)(N)c1ccc(N/N=C/2C(=Nn3nc(nc23)C)C(C)(C)C)cc1	PC-id_23579551	361.422	RYHSLIUTXGWAAA-XDHOZWIPSA-N	00000011100000110001000010000000000000000000000000000000	25-01-105563
S(=O)(=O)(N)c1ccc(N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)cc1	PC-id_58647282	361.422	RYHSLIUTXGWAAA-UNOMPAQXSA-N	00000011100000110001000010000000000000000000000000000000	25-01-105564
S(=O)(=O)(N)c1ccc(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)cc1	PC-id_74064830	361.422	RYHSLIUTXGWAAA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-105565
n12N=C(C(C)(C)C)C(=NNc3[n-]nc(c3c3ccccc3)C)c1nnc2C	PC-id_59247776	361.424	YDXYVJUHWJNISI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-105566
C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](C)c1nc2c(s1)CCC2	ZINC22_2325788007	361.426	HNARDUGSPDOWDH-AXFHLTTASA-N	00000010100010000001000010000000000000000000000000000000	25-01-105567
c1(c2CCCc2sc1NC(=O)Cc1ccc(F)cc1)C(=O)OC(C)C	ZINC22_667654,PC-id_1008138,CoCoCo_6922397,EMOLS-id_5126880,SPECS-id_AK-968/15604480,TIMTEC40902,MCULE-2325680282	361.43	AILIYYXNAHYIAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105568
c1(ccccc1F)CCC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-7287120853,EMOLS-id_327954642	361.43	VJWULXFUSQTNIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105569
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccc(F)cc1	EMOLS-id_331278167	361.43	UBIXHGSQLLCYPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105570
CCOC(=O)c1c(NCC(=O)c2ccc(c(c2)F)C)sc2c1CCC2	PC-id_110830455	361.43	NORBETRJSBMFKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105571
CCOC(=O)c1c(NC(=O)CCc2cccc(F)c2)sc2CCCc12	MCULE-4015042106,EMOLS-id_328081226	361.43	YHZZNZGNZWVWIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105572
CCOC(=O)c1c(NC(=O)CCc2ccc(F)cc2)sc2CCCc12	EMOLS-id_328138043,MCULE-9994695366	361.43	BEAMAXPGORLDLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105573
s1c2CCCc2cc1C(=O)OC(C(=O)NC(c1ccc(F)cc1)C)C	PC-id_45637964	361.43	GZXVTMZYPBFVHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105574
s1c2CCCc2cc1C(=O)OC(C(=O)NCCc1ccc(F)cc1)C	PC-id_78514072	361.43	DZJYSFAXZXTTMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105575
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCCc1ccc(F)cc1)C	PC-id_7623768	361.43	DZJYSFAXZXTTMP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105576
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCCc1ccc(F)cc1)C	PC-id_7623770	361.43	DZJYSFAXZXTTMP-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105577
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@H](c1ccc(F)cc1)C)C	PC-id_51906561	361.43	GZXVTMZYPBFVHH-NWDGAFQWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105578
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@@H](c1ccc(F)cc1)C)C	PC-id_51906562	361.43	GZXVTMZYPBFVHH-VXGBXAGGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105579
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N[C@H](c1ccc(F)cc1)C)C	PC-id_51906563	361.43	GZXVTMZYPBFVHH-RYUDHWBXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105580
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N[C@@H](c1ccc(F)cc1)C)C	PC-id_51906564	361.43	GZXVTMZYPBFVHH-NEPJUHHUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105581
C1Cc2c(C1)sc(n2)NC(=O)CN1CCC(C1)Oc1cc(ccc1)F	EMOLS-id_316839110,MCULE-4682981390,PC-id_136529959	361.434	SGHKZLWVFZRDAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105582
C[C@@H](NCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1F	CoCoCo_3594955,PC-id_32714811,ZINC22_25406151	361.434	UWABUDHHMZFEFH-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105583
C[C@H](NCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1F	CoCoCo_3594956,PC-id_32714814,ZINC22_25406154	361.434	UWABUDHHMZFEFH-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-105584
CN(C)CC(=O)N1CCc2sc(C(=O)NCc3cccc(F)c3)cc12	PC-id_97524457,ZINC22_96264518	361.434	ZIOOXANCVUFTIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105585
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1ccc(cc1)CO	SCHEMBL1003793,PC-id_59180154	361.434	KMFDTECCCNCTNW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-105586
Fc1cccc2c1C1(CCCC1)CN2S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100190649	361.434	CQHJAHLBDXUUGX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105587
Fc1cccc2c1N(CC12CCCC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100806713	361.434	YTGQHUJGVPMIBS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105588
Fc1ccccc1C=C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238410	361.434	VUUYIFOVQDXAJS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105589
O=C(CN1CC[C@H](Oc2cccc(F)c2)C1)Nc1nc2c(s1)CCC2	ZINC22_680110538	361.434	SGHKZLWVFZRDAO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105590
O=C(CN1CC[C@@H](Oc2cccc(F)c2)C1)Nc1nc2c(s1)CCC2	ZINC22_680110539	361.434	SGHKZLWVFZRDAO-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105591
O=C(Nc1sc2c(c1C(=O)N)CCC2)CNC(c1ccccc1F)C	PC-id_42914219,EMOLS-id_23962241,MCULE-9325050041	361.434	UWABUDHHMZFEFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105592
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(F)cc1)C)C(=O)N	PC-id_9252161	361.434	FYAFGLGFCBYXFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105593
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(F)cccc1)C)C(=O)N	PC-id_9035484	361.434	PPAVPUJWTLOBSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105594
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N(CC)CC	PC-id_16947173	361.434	NOPRSBSGKLWYDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105595
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCC(C)C	PC-id_16947202	361.434	VIIIUASKDBCHHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105596
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NC(CC)C	PC-id_16947203	361.434	NPWUGTMHAWUUJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105597
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccccc1)C(=O)O	SCHEMBL13786683,PC-id_57791536	361.435	BSYALPYCRXBOIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105598
COc1ccccc1OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_90779440	361.435	CUPHGFIDUAINKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105599
COc1cc(ccc1)OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_91028995	361.435	LGKHPQSUCOJVJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105600
s1c2c(CCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_53458084	361.435	ZSIOQPWHGGVIDW-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-105601
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_2180806	361.435	ZSIOQPWHGGVIDW-NWDGAFQWSA-M	00000010100011000000000010000000000000000000000000000000	25-01-105602
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_2180808	361.435	ZSIOQPWHGGVIDW-NEPJUHHUSA-M	00000010100011000000000010000000000000000000000000000000	25-01-105603
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_7409555	361.435	ZSIOQPWHGGVIDW-VXGBXAGGSA-M	00000010100011000000000010000000000000000000000000000000	25-01-105604
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_7409556	361.435	ZSIOQPWHGGVIDW-RYUDHWBXSA-M	00000010100011000000000010000000000000000000000000000000	25-01-105605
c1(CN(C)C(=O)c2ccc(cc2)c2cccc(OC)c2)c2CCCc2[nH]n1	MCULE-9271504608,PC-id_91761701,EMOLS-id_55607618	361.437	NBZWHWPXGYOBKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105606
COc1ccc(N)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-1396812125,EMOLS-id_328217211	361.437	AVKOMIBVQUXADV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105607
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(N)c1	MCULE-4181166374,EMOLS-id_328217467	361.437	WGXDKZGEMREGIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105608
O=c1n2n(C(=C)C(C2C)(Cc2ccccc2)Cc2ccccc2)c(=O)n1C	PC-id_10832436	361.437	XCLMLHLYQHIRBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105609
O=C(NCc1ccc(Oc2ccc(cc2)C)cc1)c1n(nc2c1CCC2)C	PC-id_15008434	361.437	QFMXJFRBBBFMII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105610
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)/C=C/c1ccccc1	PC-id_117054875	361.437	NWMALXLJMCBJJR-OUKQBFOZSA-N	00000010101000110001000010000000000000000000000000000000	25-01-105611
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C=Cc1ccccc1	PC-id_92109379	361.437	NWMALXLJMCBJJR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-105612
C1Cc2c(C1)sc(c2C(=O)N)NC(=O)CSc1ccc(cc1)N=O	PC-id_89031908,SCHEMBL13183018	361.439	FUJPPNBCFDRDMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105613
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_322626368,MCULE-9240281776	361.439	XYOHSISJFXXDSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105614
c1(NC(=O)c2cccc(c2)NS(=O)(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_322820650,MCULE-1339302992	361.439	VUWYVYCGWWECOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105615
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(cc1)NC(=O)C	EMOLS-id_322628421,CoCoCo_6400428,MCULE-7721164963,PC-id_45147255	361.439	HWABLZRANHVBRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105616
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCC2	PC-id_6132246,ZINC22_6883751	361.439	QSRFVMFVNYASKJ-VOTSOKGWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105617
NC(=O)NC(=O)c1c(NC(=O)C=Cc2cccs2)sc2c1CCC2	PC-id_92046512	361.439	QXUAWLZYQTXXKY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-105618
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc(nc1C)C)C#N	PC-id_16519574	361.439	IEXGVSONVQVLHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105619
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1occc1)C(=O)N	PC-id_4505174	361.439	QSRFVMFVNYASKJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105620
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)NCC#C)cc1	PC-id_33040951	361.439	CKOQTKHTDMHLIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105621
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)NCC#C)ccc1	PC-id_46564981	361.439	JAOFHZBJDNARNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105622
Cc1cccc(c2cccc(CNC(=O)NCc3nnc4n3CCC4)c2)c1	ZINC22_263768714	361.44	SGEJQTPPRPMEMZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105623
CCc1cnc(C)nc1c1cccc(c1)C(=O)NCc1n[nH]c2CCCc12	MCULE-5044910195,PC-id_121494852,EMOLS-id_177362062,ZINC22_426370979	361.44	MGSZODIJODMAAM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105624
CN=C(N1CCN(CC1)C(=O)C1CCCO1)NCc1nnc2n1CCC2	PC-id_111301759	361.442	ITIGFWVLVQNKBK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105625
O=C(N1CCN(CC1)C(=O)C1CCCN1C)NCc1nnc2n1CCC2	EMOLS-id_100328273	361.442	OATXKDVDXSAANN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105626
O=C(NC1CCCN(C1)C(=O)N1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_98539965	361.442	AVQBNOIDDVSMQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105627
S(c1n(C2CC2)c(=O)[nH]n1)CC(=O)Nc1sc2CCCc2c1C#N	PC-id_9347261	361.442	CARAVEXZMVSKAL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-105628
c1(sc(c(C)c1C(=O)Nc1n(C)nc2CSCc12)C)n1cnnn1	ZINC22_524734051,EMOLS-id_104687900,STOCK7S-60653,MCULE-9625691083	361.445	RAAIGBWNFDGTAK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-105629
s1c2c(c(C[NH+]3CCOCC3)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_4395059	361.454	YPFZTDKFURCWLY-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-105630
c1(C(=O)OCC)c2CCCc2sc1N/C=C
/C(=O)CC(CC1=O)(C)C	CoCoCo_5981436,STOCK3S-90018,PC-id_1884662,ZINC22_2256882,EMOLS-id_3741118,MCULE-8510994908	361.455	SFGJPDSKYOUBMY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105631
CCOC(=O)c1c(sc2c1CCC2)/N=C/C1=C(CC(CC1=O)(C)C)O	PC-id_135435867	361.455	WKNXXNPUYSIDEZ-KEBDBYFISA-N	00000010100011000000000010000000000000000000000000000000	25-01-105632
CCOC(=O)c1c(sc2c1CCC2)N=CC1=C(CC(CC1=O)(C)C)O	PC-id_135481905	361.455	WKNXXNPUYSIDEZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-105633
COCCn1c(C)cc(C(=O)COC(=O)c2cc3CCCc3s2)c1C	MCULE-6898676329,BindingDB-id_90740,ChEMBL-DNDi_CHEMBL1407268,BindingDB_PC-id_2552695,PC-id_2552695,CoCoCo_2840778,ZINC22_3433117,EMOLS-id_3375639,CHEMBL1407268	361.455	OPYAUPOLOMVWLO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105634
s1c2c(CCC2)c(c1N=CC1C(=O)CC(CC1=O)(C)C)C(=O)OCC	PC-id_23938605	361.455	OANCEMVYHVSRGT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105635
S(=O)(=O)(n1c(c2c(CCC2)c1)C#Cc1ccccc1)c1ccc(cc1)C	PC-id_72697946	361.457	NOXJZFSCNGQJAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105636
C
(=C/Nc2ccc(OCC)cc2)/C(=O)[n+]2c(C)c(C(=O)C)sc2S1	SPECS-id_AT-225/NB55433,PC-id_51059460,ZINC22_6844950,MCULE-5931027439	361.458	UEIXGUAYUAPVTR-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-105637
c1(ccnn1C(C)(C)C)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328183437,MCULE-7009889632	361.459	SBPWAOKMENJHHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105638
c1(coc(CN2CCOCC2)c1)C(=O)NCCc1sc2c(CCC2)n1	PC-id_72879491,ZINC22_95368432,EMOLS-id_46620664,MCULE-8733947168	361.459	SXXWRKGVCUOFIZ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-105639
c1(NC(=O)c2ccccc2OCC)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160239,MCULE-6189180836,EMOLS-id_4933793	361.459	SKKWRMJBVHCJES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105640
c1(NC(=O)c2ccc(cc2OC)OC)c2CSCc2nn1C(C)(C)C	CoCoCo_4972712,PC-id_4101996,ZINC22_4077268,MCULE-2830211171,EMOLS-id_5426343	361.459	QEFPUHGRUCOBEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105641
c1(NC(=O)c2c(cccc2OC)OC)c2CSCc2nn1C(C)(C)C	MCULE-7172407919,EMOLS-id_5430061,CoCoCo_4975382,ZINC22_3892354,PC-id_3602320	361.459	MVKCPXZOQAXMEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105642
c1(NC(=O)c2cccc(OC)c2OC)c2CSCc2nn1C(C)(C)C	MCULE-5181919934,EMOLS-id_5430051,PC-id_5012970,CoCoCo_4975377,ZINC22_4079166	361.459	YCIKKCRRASBKCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105643
c1(NC(=O)Cc2ccc(cc2)OC)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_4933827,PC-id_2160302,CHEMBL1323397,MCULE-7056226577	361.459	HXBGQXWIZZFVDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105644
c1(NC(=O)CCc2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_3008431,MCULE-3899721652,CoCoCo_4982179,PC-id_4183483,EMOLS-id_5438359	361.459	IKGDAOQJUWZQFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105645
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)n(C)nc2CSCc12	EMOLS-id_334567857,MCULE-1488937950	361.459	TXLKHSOLDTTXDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105646
c1(NC(=O)C(C)Oc2ccccc2)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_30135173,MCULE-4969685572,PC-id_3531263	361.459	XPUHWCKWYHRJKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105647
c1(NC(=O)COc2ccccc2OC)c2CSCc2nn1C(C)(C)C	ZINC22_4341904,CoCoCo_5065546,PC-id_7200095,EMOLS-id_5530881,MCULE-2407064861	361.459	DCHTVDVACWPINU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105648
c1(NC(=O)COc2cccc(OC)c2)c2CSCc2nn1C(C)(C)C	MCULE-3824981276,PC-id_7200096,ZINC22_4341905,EMOLS-id_5530883,CoCoCo_5065547	361.459	GTGFFBPOEKIDGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105649
Cc1ccc(cc1)C(C(S(=O)(=O)C)C)NC(=O)c1cnn2c1CCC2	EMOLS-id_318115730	361.459	LFSCVVLUIFSNPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105650
Cc1ccc(cc1)C(C(S(=O)(=O)C)C)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_318009238	361.459	TVJUMNMGUFYIRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105651
Cc1cc(C)cc(c1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	MCULE-3054514235,PC-id_4611394,CoCoCo_2666501,ChEMBL-DNDi_CHEMBL1426987,EMOLS-id_16383084,CHEMBL1426987	361.459	ZGVXCPPSUYTCSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105652
C=CC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCC3)[C@@H](C)C1	ZINC22_1875381436	361.459	VCLVJYFQNVNCIU-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105653
C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1C(C)(C)C)C[S@](=O)C2	PC-id_11883547,ZINC22_4224613	361.459	XPUHWCKWYHRJKO-XELLLNAOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105654
C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1C(C)(C)C)C[S@@](=O)C2	ZINC22_4224610,PC-id_11883548	361.459	XPUHWCKWYHRJKO-VDBVYFBLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105655
C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1C(C)(C)C)C[S@@](=O)C2	ZINC22_4224611,PC-id_11883549	361.459	XPUHWCKWYHRJKO-YDBLSZJJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105656
C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1C(C)(C)C)C[S@](=O)C2	ZINC22_4224612,PC-id_11883546	361.459	XPUHWCKWYHRJKO-UOXLDJKESA-N	00000010100000110001000010000000000000000000000000000000	25-01-105657
CCOc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)C[S@@](=O)C2	PC-id_11863795,ZINC22_4105743,CoCoCo_4984903	361.459	SKKWRMJBVHCJES-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105658
CCOc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)C[S@](=O)C2	ZINC22_2724872,CoCoCo_4984904,PC-id_11877629	361.459	SKKWRMJBVHCJES-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-105659
CCOc1ccc(cc1)C(=O)Nc1c2CS(=O)Cc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0561-0496,PC-id_2050958	361.459	HBYVIKHRQTTYNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105660
CCOc1ccc(cc1)C(=O)Nc1c2C[S@](=O)Cc2nn1C(C)(C)C	PC-id_11863410,CoCoCo_4985365	361.459	HBYVIKHRQTTYNH-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105661
CCOc1ccc(cc1)C(=O)Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C	PC-id_11877743,CoCoCo_4985366	361.459	HBYVIKHRQTTYNH-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-105662
COc1cc(ccc1OC)C(=O)Nc1c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0241,CoCoCo_4972719,PC-id_3632782	361.459	IGUQOHXIPWGPLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105663
COc1ccc(cc1)OCC(=O)Nc1c2CSCc2nn1C(C)(C)C	MCULE-9313686792,CoCoCo_5065548,PC-id_7200097,ChEMBL-DNDi_CHEMBL1536314,ChEMBL-DNDi_CHEMBLF1878-0012,EMOLS-id_5530885,CHEMBL1536314	361.459	XUSPVWVRSWBJIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105664
COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1	CoCoCo_4985169,PC-id_11863834,ZINC22_4105981	361.459	HXBGQXWIZZFVDM-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105665
COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1	PC-id_11877690,CoCoCo_4985170,ZINC22_2724935	361.459	HXBGQXWIZZFVDM-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-105666
s1c2CCCc2nc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1	PC-id_26723093	362.443	IOMLWYWJNWBJDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106121
COc1cc(OC)cc(c1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	CoCoCo_4972600,MCULE-7623127462,PC-id_4324149,EMOLS-id_5426115	361.459	XJAVSEYSLCGDTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105667
COCCOc1ccccc1NC(=O)NCCc1nc2CCCc2s1	ZINC22_97758057,PC-id_74247983,MCULE-8887834707,EMOLS-id_49675370	361.459	HFAPDBLMPIBGAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105668
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)C(=O)C(=O)N1CCCC1	EMOLS-id_110233808	361.459	ASIKQKFXTQBJLM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105669
s1c2CCCc2cc1C(=O)NNC(=O)C1CCN(C(=O)C2CC2)CC1	PC-id_27684333	361.459	FDZFVPACKCDXRR-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-105670
s1c2CCCc2cc1C(=O)NNC(=O)C1CN(C2CCCC2)C(=O)C1	PC-id_51274846	361.459	RLBDUJXSIODMGQ-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-105671
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)OCC)C#N	PC-id_16554788	361.459	BCBDUJCWKJWCJZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105672
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)OCC)C#N	PC-id_7986348	361.459	UDQRJCKALCQACI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105673
s1c2c(CCC2)c(c1NC(=O)CN1C[C@@H](CCC1)C(=O)OCC)C#N	PC-id_7986367	361.459	BCBDUJCWKJWCJZ-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105674
s1c2c(CCC2)c(c1NC(=O)CN1C[C@H](CCC1)C(=O)OCC)C#N	PC-id_7986379	361.459	BCBDUJCWKJWCJZ-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105675
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1c[nH+]ccc1)C(=O)OCC	PC-id_2241116	361.459	WIEVUADRRSAAOF-UHFFFAOYSA-P	00000010100000101000000010000000000000000000000000000000	25-01-105676
S(=O)(=O)(CCCC(=O)Nc1n(nc2c1CCC2)C)c1ccc(cc1)C	PC-id_45536346	361.459	LSXICNZDVGLAQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105677
c1(NC(=O)C(=Cc2ccccc2)c2ccccc2)n(C)nc2CSCc12	MCULE-5544638167	361.46	BGILIBKULSKSIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105678
Cc1ccc(CCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)cc1	EMOLS-id_324903437	361.46	WPFPADLDWOBPSK-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-105679
Cc1ccc(CCc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)cc1	EMOLS-id_324904971	361.46	ZBRAWRIIRZLWSM-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-105680
Cc1ccc(CCc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324906508	361.46	MQMNELUDGUOKHA-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-105681
CCc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324841205	361.46	MWWNMAPGLVQPEI-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105682
CC(C)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324836851	361.46	AZIIAQRYGVGANF-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105683
Cn1nc2CSCc2c1NC(=O)/C(=Cc1ccccc1)/c1ccccc1	EMOLS-id_334562234	361.46	BGILIBKULSKSIF-ATVHPVEESA-N	00000010100000110001000010000000000000000000000000000000	25-01-105684
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCc1ccc(cc1)C	MCULE-2612305162	361.46	WPFPADLDWOBPSK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105685
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)CCc1ccccc1	MCULE-3827700203	361.46	MWWNMAPGLVQPEI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105686
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCc1ccc(cc1)C	MCULE-4670580560	361.46	MQMNELUDGUOKHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105687
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)CCc1ccc(cc1)C	MCULE-5209017821	361.46	ZBRAWRIIRZLWSM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105688
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)Cc1ccccc1	MCULE-7962563517	361.46	AZIIAQRYGVGANF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105689
c1(C(=O)N[C@@H]2CCN(C[C@H]2O)Cc2csc(C)n2)c2CCCc2[nH]n1	ZINC22_299786690,EMOLS-id_68900676,MCULE-8879848788,PC-id_118775302	361.462	OOWQVDJRQPIKFZ-HUUCEWRRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105690
Cc1nc(CN2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)[C@@H](O)C2)cs1	ZINC22_1565512917	361.462	OOWQVDJRQPIKFZ-GJZGRUSLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105691
Cc1noc(C2CCN(C(=O)Nc3nc4c(s3)CCC4(C)C)CC2)n1	ZINC22_333502242,EMOLS-id_102001926,MCULE-6526086991	361.462	HXXDSUFJGGETLK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105692
CC(CC(=O)NCc1cn2CCSc2n1)n1nc(C)c(C(=O)C)c1C	MCULE-4719760054,EMOLS-id_82720747,PC-id_119066379	361.462	BWGYPWMTSNTZSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105693
CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2cn3c(n2)SCC3)c1C	ZINC22_426511522	361.462	BWGYPWMTSNTZSA-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-105694
CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2cn3c(n2)SCC3)c1C	ZINC22_426511523	361.462	BWGYPWMTSNTZSA-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105695
Cn1cc([C@H]2CN(C(=O)Nc3nc4c(s3)CCC4(C)C)CCO2)cn1	ZINC22_333539968	361.462	NSHATKBFDRLNKS-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105696
Cn1cc([C@@H]2CN(C(=O)Nc3nc4c(s3)CCC4(C)C)CCO2)cn1	ZINC22_333539981	361.462	NSHATKBFDRLNKS-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105697
Cn1ccnc(NC[C@@H]2CN(Cc3nc4c(s3)CCC4)CCO2)c1=O	ZINC22_328627668	361.462	GLRDOVFGYDBGEZ-GFCCVEGCSA-N	00000010100010100001000010000000000000000000000000000000	25-01-105698
Cn1ccnc(NC[C@H]2CN(Cc3nc4c(s3)CCC4)CCO2)c1=O	ZINC22_328627669	361.462	GLRDOVFGYDBGEZ-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-105699
N#Cc1c(NC(=O)C2CCCN(C2)C(=O)C(C)(C)C)nc2n1CCS2	EMOLS-id_111033883	361.462	GMUZXLNRIHRJSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105700
N#Cc1c(NC(=O)C(NC(=O)CC2CCCCC2)C)nc2n1CCS2	EMOLS-id_97855173	361.462	VIXHVQKJJPYQGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105701
O=c1n(C)ccnc1NCC1OCCN(C1)Cc1sc2c(n1)CCC2	MCULE-1474526721,EMOLS-id_316077745	361.462	GLRDOVFGYDBGEZ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-105702
O=C(c1cnn(c1C)C1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99814846	361.462	VVMBKKVWVDZOEG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105703
O=C(N1CCCC(C1)c1onc(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001878	361.462	KNHJZRDJEIUZIM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105704
O=C(N1CCCCC1c1onc(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009051	361.462	FSYOJGGWUKHDQO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105705
O=C(N1CCOC(C1)c1cnn(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003771,MCULE-3663729797	361.462	NSHATKBFDRLNKS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105706
O=C(Nc1sc2c(n1)C(CC2)(C)C)Nc1n[nH]c(c1)C1CCCOC1	EMOLS-id_102008823	361.462	YELFBVHIAYLIKA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105707
O=C(Nc1sc2c(n1)C(CC2)(C)C)Nc1n[nH]c(c1)C1CCOCC1	EMOLS-id_102007311	361.462	NXPDIRLWODGVEX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105708
O=C(Nc1sc2c(n1)CCC2)CN1CCN(CC1)Cc1onc(c1)C	PC-id_94431330	361.462	JGQPAJTVLNYDHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105709
Cc1nnc(N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)n1C	PC-id_146137780,ZINC22_639978129	361.465	YOAVIIYWEPMYRN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105710
CCc1nsc(n1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417085	361.465	BTJKLBBVURCHFH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105711
O=C(c1nnn(c1)CCN1CCCCC1)NCc1cn2c(n1)SCC2	PC-id_42520393,CoCoCo_1522878	361.465	IEYUDYAXHGBJOB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105712
c1(NC(=O)c2ccccc2SC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1742561,PC-id_7065773,ZINC22_3901075,MCULE-8250526226,ChEMBL-DNDi_CHEMBL3448-0615,EMOLS-id_12387926	361.478	MQEZIVJMEZCTQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105713
c1(NC(=O)c2ccc(cc2)SC)sc2c(CCC2)c1C(=O)OCC	ZINC22_4517616,MCULE-4051203121,EMOLS-id_5570328,PC-id_7266951,CoCoCo_5142077	361.478	IMJQQFKYLSDRCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105714
c1(NC(=O)CSc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	PC-id_1658632,MCULE-8569184756,ZINC22_1932245	361.478	BUEJDXPZVHNYOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105715
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1314983,BAS-01157900,SPECS-id_AG-205/12908066,CoCoCo_174963,PC-id_1037752,TIMTEC82050,MCULE-5509650375,ZINC22_708408,STOCK1S-49630	361.478	BPDLGAKSYVTRST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105716
COc1cccc(C(=O)c2c(NC(=O)CSC)sc3c2CCC3)c1	PC-id_145890676,ZINC22_511487239,EMOLS-id_320376087,MCULE-4402142077	361.478	KZWCOKMHXIAKDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105717
COC(=O)C1CCn2c1cc(c2C(=S)c1ccc(cc1)C)S(=O)C	SCHEMBL10813225	361.478	OOKIMKUCCQKJJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105718
COC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCC2	PC-id_3450894,ZINC22_6440946	361.478	RBGAJBPECYJAJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105719
COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccccc2)sc2c1CCC2	ZINC22_408572930	361.478	BZWVDDDZDZRDKJ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105720
COC(=O)c1c(NC(=O)[C@H](C)Sc2ccccc2)sc2c1CCC2	ZINC22_408572935	361.478	BZWVDDDZDZRDKJ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-105721
COC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CCC2	ZINC22_10591421,PC-id_16527780	361.478	WYRWAUSKURDQGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105722
CSc1ccc(cc1)C(NC(=O)c1sc2c(c1)CCC2)CC(=O)O	MCULE-8095466479,PC-id_120203967,EMOLS-id_53666239	361.478	FGRUIOMQGMFWKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105723
OC(=O)CCSCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_119240966,EMOLS-id_52249517,MCULE-3977496935	361.478	IWFXAYWOMIGXKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105724
s1c2CCCc2cc1C(=O)OCC(=O)NCCSc1ccccc1	PC-id_7627934	361.478	BSVZNGIQZPOUPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105725
s1c2c(CCC2)c(c1NC(=O)c1ccc(SCC)cc1)C(=O)OC	PC-id_7579263	361.478	ROMNFPJDWGHUTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105726
s1c2c(CCC2)c(c1NC(=O)c1cc(SC)ccc1)C(=O)OCC	PC-id_7565150	361.478	LJCWKMAPFCHJNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105727
s1c2c(CCC2)c(c1NC(=O)c1cc(SCC)ccc1)C(=O)OC	PC-id_7578872	361.478	WVSGTLRYYMNFKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105728
s1c2c(CCC2)c(c1NC(=O)c1c(SCC)cccc1)C(=O)OC	PC-id_7578478	361.478	BNBRWXNLLZAJMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105729
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC)cc1)C(=O)OC	PC-id_41126369	361.478	IWDKEDYHGNCTCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105730
C(=O)(CC(C)C)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C	PD003377,TT-id_D0P1CV,DB12686,ZINC22_52509437,EMOLS-id_32176634,CHEBI:91371,SPECS-id_AT-229/JK30642,BindingDB_PC-id_46191454,PC-id_46191454,MCULE-7233148866,SCHEMBL5110328,CHEMBL1230607	361.4817	HUXYBQXJVXOMKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105731
Cc1c2n(CCO2)nc1C(=O)NCC1(CCCCC1)N1CCN(CC1)C	PC-id_91959906	361.482	FUAMEJUDDPCBEN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105732
Cc1cccc(NC(=O)CSCC(=O)Nc2nc3c(s2)CCC3)c1	PC-id_30896162,ZINC22_23190729,EMOLS-id_33336652,MCULE-1666526097	361.482	ZSGFBOXXYCPLPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105733
CC1OC(C)CN(C1)CC1CCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579325	361.482	BDQXJVIUMAOIMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105734
CN1CCC(CC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C	BindingDB_PC-id_46228465,PC-id_46228465,CHEMBL599033	361.482	DHJHGYYBWIWMJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105735
CN1CCN(CC1)CC1(O)CCCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_48376974,MCULE-7241636192,BDE-30844431,PC-id_110098118	361.482	HQCUFABODWPSIW-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-105736
CN1CCN(C[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1	ZINC22_257239612	361.482	HQCUFABODWPSIW-IBGZPJMESA-N	00000010100010000101000010000000000000000000000000000000	25-01-105737
CN1CCN(C[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1	ZINC22_257239613	361.482	HQCUFABODWPSIW-LJQANCHMSA-N	00000010100010000101000010000000000000000000000000000000	25-01-105738
CN(C)C(=O)CSc1ccccc1C(=O)Nc1nc2c(s1)CCC2	MCULE-7255033912,ZINC22_95947427,PC-id_75413256,EMOLS-id_48769255	361.482	PBKHLROGRMGRPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105739
O=C(C1CCCN(C1)C(=O)c1cccs1)Nc1sc2c(n1)CCC2	MCULE-2362024612,PC-id_42947373,EMOLS-id_25663889	361.482	JJUGOYJNBUANNV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-105740
O=C(c1cc(sc1C)N1CCCCC1=O)Nc1sc2c(n1)CCC2	PC-id_145979684	361.482	AGNYTXBOCHMBCJ-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-105741
O=C(N1CCC(CC1)CCN1CCOCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101423067	361.482	DWPUPDCNKMRMRF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105742
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCCC1)N1CCOCC1	EMOLS-id_101546234	361.482	MXTNJQUISWGIRD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-105743
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN(C(=O)c2cccs2)C1	CoCoCo_4709927,ZINC22_25769469,PC-id_33041176	361.482	JJUGOYJNBUANNV-LLVKDONJSA-N	00000010100110000001000010000000000000000000000000000000	25-01-105744
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN(C(=O)c2cccs2)C1	CoCoCo_4709928,ZINC22_25769470,PC-id_33041177	361.482	JJUGOYJNBUANNV-NSHDSACASA-N	00000010100110000001000010000000000000000000000000000000	25-01-105745
s1c2CCCc2cc1C(=O)NN=Cc1sc(N2CCOCC2)cc1	PC-id_85015583	361.482	URMJDQAVSZPZQY-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-105746
s1c2CCCc2cc1C(=O)NNC(=S)NCc1ccc(OC)cc1	PC-id_8746021	361.482	BFVYYENYEXAFQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105747
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C(CCC1)C(=O)N(C)C)C#N	PC-id_75865959	361.482	XEBNBZRVEQGWOW-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-105748
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1[C@@H](CCC1)C(=O)N(C)C)C#N	PC-id_52546753	361.482	XEBNBZRVEQGWOW-AWEZNQCLSA-O	00000010100000000000000010000000000000000000000000000000	25-01-105749
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1[C@H](CCC1)C(=O)N(C)C)C#N	PC-id_52546755	361.482	XEBNBZRVEQGWOW-CQSZACIVSA-O	00000010100000000000000010000000000000000000000000000000	25-01-105750
s1c2c(CCC2)c(c1NC(=S)Nc1nc(cc(c1)C)C)C(=O)OC	PC-id_19686240	361.482	ONGWLGQDHFHPJO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105751
s1c2c(CCC2)c(c1NC(=S)NC(c1ccncc1)C)C(=O)OC	PC-id_19676017	361.482	QCPRCENBGFGCBD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105752
s1c2CCCc2nc1NC(=O)C1CCN(CC1)C(=O)c1sccc1	PC-id_33040109	361.482	GVXQQNDKRJVTIP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-105753
CC(C)(C)c1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	PC-id_17441040,CoCoCo_4539698,EMOLS-id_13463359,CoCoCo_4539699,MCULE-3620718959,CoCoCo_4539700,ZINC22_8708796	361.485	ZRDUXNWDACSUCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105754
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)CC1COCC1	PC-id_120046207	361.485	FFDMQWPVPQYORO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105755
CCNC(=NCc1nnc2n1CCC2)N1CC(=O)N(C(C1)(C)C)C(C)C	PC-id_120051657	361.485	ZHWZGKZTCSBZDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105756
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCC1)C(=O)N(C)C	PC-id_111571961	361.485	MFYWRPHEDAAEEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105757
CCNC(=NCc1nnc2n1CCC2)NCCCN1CCCCCC1=O	PC-id_111020425	361.485	VXLZBPSYBHJTKY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-105758
O=C(C1C(C1(C)C)(C)C)Nc1sc2c(c1C(=O)C1CCC1)C(OC2)C	SCHEMBL2162128,PC-id_24772347	361.498	GLHCRBAJXLKJSF-UHFFFAOYSA-N	00101010100000000000000010000000000000000000000000000000	25-01-105759
Cc1cc(cc(c1S(=O)(=O)NC1CC(n2c1ncc2)C)C)C(C)(C)C	EMOLS-id_101320523	361.502	CHLNPMKPZKEFTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105760
CC(C)(C)C(=O)NCCCCCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328195887,MCULE-4221772862	361.502	TXWYESSIIXXMLB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105761
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC(C)(C)OC(C)(C)C1	ZINC22_190526337	361.502	OXRODUKTOZGILE-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105762
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC(C)(C)OC(C)(C)C1	ZINC22_190526362	361.502	OXRODUKTOZGILE-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105763
N#Cc1c(NC(=O)CCNC2CC(OC2(C)C)(C)C)sc2c1CCC2	EMOLS-id_101745586	361.502	ICUGWJXFGBLMTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105764
N#Cc1c(NC(=O)C(N2CC(C)(C)OC(C2)(C)C)C)sc2c1CCC2	PC-id_145878170,MCULE-8051070445,EMOLS-id_111900351	361.502	OXRODUKTOZGILE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105765
N#Cc1c(NC(=O)C(NC2CC(OC2(C)C)(C)C)C)sc2c1CCC2	EMOLS-id_101024488	361.502	RHBBDGYGTCBBBE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105766
N#Cc1c(NC(=O)C(N(CC2CCCCC2O)C)C)sc2c1CCC2	EMOLS-id_98999685	361.502	HNBAUSNYCJHGCP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105767
N#Cc1c(NC(=O)C(N(CCC2CCOCC2)C)C)sc2c1CCC2	EMOLS-id_99814909	361.502	IIKAHIOIRMZZCJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105768
O[C@]1(CCCN(CC2CCCCC2)C1=O)C[NH2+]Cc1n[nH]c2c1CCC2	PC-id_26405586	361.502	XBIWDRRRSDIYNT-HXUWFJFHSA-O	00000010100010000001000010000000000000000000000000000000	25-01-105769
O[C@@]1(CCCN(CC2CCCCC2)C1=O)C[NH2+]Cc1n[nH]c2c1CCC2	PC-id_26405588	361.502	XBIWDRRRSDIYNT-FQEVSTJZSA-O	00000010100010000001000010000000000000000000000000000000	25-01-105770
OC1(CCCN(CC2CCCCC2)C1=O)C[NH2+]Cc1n[nH]c2c1CCC2	PC-id_74503529	361.502	XBIWDRRRSDIYNT-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-105771
O=C(c1sc2c(c1)CCC2)N1CCCC(C1)CNC(=O)C1CCCN1	EMOLS-id_302012282,MCULE-1763668719,PC-id_120031731	361.502	XRTQMIBMYILQKR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105772
O=C(CN1CCCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCCC1	EMOLS-id_50303401,MCULE-5020250252,PC-id_78858926,ZINC22_97211778	361.502	HFFSCNWDSAAFHE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-105773
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCCCC1	MCULE-4765755154,CoCoCo_4294724,ZINC22_34895965,PC-id_16390796	361.502	CZDXVAANBOGZJU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105774
O=C(N1CCN(CC1)C(=O)c1cc2c(s1)CCC2)NC1CCCCC1	PC-id_99263558	361.502	XELYRWIFQVSKBX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105775
Cc1nc(CN(C)[C@H]2CCCN(Cc3nc4c(s3)CCC4)CC2)no1	ZINC22_328655590	361.505	YNDRDHFWEUHNAU-AWEZNQCLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-105776
Cc1nc(CN(C)[C@@H]2CCCN(Cc3nc4c(s3)CCC4)CC2)no1	ZINC22_328655591	361.505	YNDRDHFWEUHNAU-CQSZACIVSA-N	00000010100000000101000010000000000000000000000000000000	25-01-105777
Cc1onc(n1)CN(C1CCCN(CC1)Cc1sc2c(n1)CCC2)C	EMOLS-id_316018685,MCULE-8958404213	361.505	YNDRDHFWEUHNAU-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-105778
c1(NC(=O)CSCc2ccccc2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5436128,MCULE-1954667188,ZINC22_4087653,CoCoCo_4980064,PC-id_5215292	361.525	HRHSTDWDUNCSJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105779
c1(NC(=O)CSC(C)(C)C)c2CSCc2nn1Cc1ccccc1	PC-id_52105584,MCULE-2651024623,EMOLS-id_31192828,ZINC22_41124412	361.525	VVWKAQUBYORMJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105780
CC1CCN(Cc2csc(NC(=O)c3cc4c(s3)CCC4)n2)CC1	MCULE-6477588946,ZINC22_9607235,CoCoCo_3295656,CoCoCo_3295657,EMOLS-id_3695265,PC-id_16350697	361.525	UFAQYZXRXLTLNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105781
CCc1nc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cs1	PC-id_53535987,ZINC22_56463698,MCULE-5259683412,EMOLS-id_36646540	361.525	RJHBPDWBRCXXIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105782
CN(CCNC(=O)N1Cc2c(C1(C)C)n[nH]c2CC1CCCC(C1)C)C	PC-id_145111652	361.525	IQPWGJJKKFNVQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105783
s1c2CCCc2c(c1NC(=S)NC(=O)CCC1CCCCC1)C#N	PC-id_4955521	361.525	ZTZQKDBZCZFAGY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105784
CN=C(NCc1nnc2n1CCC2)NCC(N1CCCCCC1)C(C)C	PC-id_111020603	361.528	IADLDDGYPSDAKS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-105785
s1c(nc2c1CCC2)CN1CCN(CC1)C(=O)CCC1CCCCC1	PC-id_44060345	361.545	PWZWWYYODLRHBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105786
Fc1cc(Br)c(cc1C(c1sc2c(c1)CCC2)O)Cl	PC-id_105399380	361.657	ZILTYPXPZVWDOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105787
CC(c1nnc2n1CCC2)NCc1cc(c(s1)Cl)Br	PC-id_102834005	361.688	LJBHRXFTNLGWKL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105789
ClC(c1sc2c(CCC2)c1)c1c(Cl)cc(OCC)c(Cl)c1	PC-id_81835635	361.714	PHSORLMMLIYPKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105790
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(c(Cl)c2)F)n1	EMOLS-id_1359665,PC-id_1129738,ZINC22_869810,TIMTEC511736,CoCoCo_224962,MCULE-8810314707,BAS-01939632	361.722	VUNJFOJEZCYTRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105791
c1(C(=O)N(C)Cc2[nH]nc3CCCc23)n(C)nc(C(F)(F)F)c1Cl	MCULE-1725648514,PC-id_50975914,EMOLS-id_32420652,ZINC22_67867137	361.75	LZRFLXXMLAJWEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105792
c1(c2c(cccc2F)Cl)noc(CNC(=O)c2c3CCCc3[nH]n2)n1	MCULE-8582841807,EMOLS-id_323259828	361.758	HMLBUVQJVXLQMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105793
Cc1ccc(cc1)C(=O)c1c(C)c(c2n1CCC2(C(=O)O)C(=O)O)Cl	SCHEMBL11004310,PC-id_20405067	361.776	HNKOQDJGPBIGQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105794
CCOC(=O)c1cccc(c1)C(=O)c1cc(c2n1CCC2C(=O)O)Cl	PC-id_20405043,SCHEMBL11003245	361.776	OXOAYJSNOAWTSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105795
CCOC(=O)c1ccc(cc1)C(=O)c1c(Cl)cc2n1CCC2C(=O)O	PC-id_20456511,SCHEMBL11064865	361.776	FSLBBXRQWVOBPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105796
Clc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1)C(=O)c1ccccc1	SCHEMBL11044659,PC-id_54022550	361.776	KZXXWOCIXMLZBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105797
Clc1ccc(C(=O)c2n3CC(C(c3cc2)(C)C(=O)OC(=O)O)C)cc1	PC-id_20073574	361.776	XXICFJDUYJPPRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105798
Clc1ccc(C(=O)c2n3c(C(CC3)(C(=O)OC)C(=O)OC)cc2)cc1	SCHEMBL9792200,PC-id_13318549	361.776	MGSROQZTPRWEOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105799
O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc2c([nH]1)CCC2	ZINC22_1875268719	361.798	VRXOJOQZVNDPJB-AWEZNQCLSA-N	00000010100000110000100010000000000000000000000000000000	25-01-105800
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc2c([nH]1)CCC2	ZINC22_1875268720	361.798	VRXOJOQZVNDPJB-CQSZACIVSA-N	00000010100000110000100010000000000000000000000000000000	25-01-105801
Clc1c(c2noc(c2C(=O)Nc2onc3c2CSC3)C)cccc1	PC-id_49720096	361.803	BIUAJWXQUGCSOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105802
Clc1cc(ncc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_8904937	361.803	YYDRKRVVFRWROG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105803
Clc1ncccc1C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_7867543	361.803	ASBHJXOYKHKPSY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105804
Clc1ncc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8017477	361.803	FBCIGMIVCPHJFQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105805
c1(nnc2SCCn12)NC(=O)c1c(C)onc1c1ccccc1Cl	ZINC22_16977076,CoCoCo_5085686,EMOLS-id_22719446,MCULE-2555646835,PC-id_27453383	361.806	JUIMIBDQKAAMIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105806
CCCCOc1ccc(cc1)C(=O)c1c(Cl)cc2n1CCC2C(=O)O	PC-id_20528173,SCHEMBL11272683	361.819	DXCKWUADTJSYGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105807
COCCCc1cc2n(c1C(=O)c1ccc(Cl)cc1)CCC2C(=O)O	CHEMBL168801,PC-id_13780982	361.819	XPSMURFGUBHFAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105808
CCOc1cc(/C=C/Cn3cccc3C2=O)cc(Br)c1OC	ZINC22_96941986,CoCoCo_4588831,PC-id_97743879	362.218	IDLDDKCUTMYQSM-GHXNOFRVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105872
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1sccc1Cl	EMOLS-id_36614636,PC-id_56759371,MCULE-8802023315,ZINC22_67973690	361.821	PJIZWUXEXVLQNO-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-105809
O=C(N[C@@H]1CCc2sc(Cl)cc12)c1c[nH]nc1c1ccccc1F	ZINC22_555110987	361.821	BQKXPTREJSRERQ-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105810
O=C(N[C@H]1CCc2sc(Cl)cc12)c1c[nH]nc1c1ccccc1F	ZINC22_555110988	361.821	BQKXPTREJSRERQ-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105811
c1(C(=O)NCC(c2ccc(cc2)Cl)CC(=O)OC)c2CCCc2[nH]n1	MCULE-7057432432,EMOLS-id_323256507	361.823	DHMCUQWFSLMHJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105812
Clc1ccc(cc1)C1(CCOCC1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_318023028	361.823	AVLKWFRSBUMXGT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-105813
Clc1ccc(cc1)CC1(CCCOC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_317947379	361.823	DDTLNSDBHDNNMP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105814
CC(CNC(=O)c1ccc(cc1Cl)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_319519387	361.826	XTNPUQZQYZNJAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105815
n12ncnc1sc(=CNc1scc(c3ccc(cc3)Cl)n1)c2=O	MCULE-6587611949	361.829	BKGKBJWHEWHBDO-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-105816
O=c1/c(=C/Nc2nc(c3ccc(Cl)cc3)cs2)/sc2ncnn12	PC-id_117588319,ZINC22_256055312	361.829	BKGKBJWHEWHBDO-WZUFQYTHSA-N	00000000100000110001100010000000000000000000000000000000	25-01-105817
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_5079350,MCULE-1360999564	361.843	QYTNYHHNCYNYEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105818
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	PC-id_4556867,MCULE-3946704805	361.843	KJSIMWBCIXOSOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105819
Clc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_1680968	361.843	KJSIMWBCIXOSOF-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105820
Clc1c(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_3595648	361.843	VUODPBNSCWLDJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105821
COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2	PC-id_5870609,ZINC22_5355307	361.843	VUODPBNSCWLDJV-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105822
COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_1940026,PC-id_1666248	361.843	QYTNYHHNCYNYEL-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105823
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)Cl)C1	MCULE-3267091848,EMOLS-id_323367071	361.846	LNCDRIVOGGPRLF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105824
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1	PC-id_46581851,MCULE-3399033385,EMOLS-id_323383966	361.846	NMIPKTRWEHPOMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105825
Clc1ccccc1N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	PC-id_51233108,EMOLS-id_323404186,MCULE-8281916266	361.846	YHBBKPPWYMMBGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105826
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCC=C)cc1	PC-id_16947363	361.846	LXTJSNXTKYXBLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105827
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)NC4CC4)c3n2)cc1	PC-id_16947469	361.846	ASJZHMMQDHRFRI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-105828
O=C(c1c(Br)nc2n1CCC2)N1CCCC1c1ncccn1	EMOLS-id_278452548	362.224	MEVBBEGSCGJCIR-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-105873
O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c(N2CCCC2=O)c1	MCULE-5759607627,PC-id_33040402,EMOLS-id_24951925,ZINC22_25768714,CoCoCo_4164330	361.846	PPFGXNVQVLRDJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105829
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC22_25767909,PC-id_33039574	361.846	YHBBKPPWYMMBGW-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-105830
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC22_25767912,PC-id_33039577	361.846	YHBBKPPWYMMBGW-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105831
Clc1nc2SCCn2c1/C=N/N1CCN(Cc2ccccc2)C1=O	PC-id_24850716	361.849	OTFPFIYIDAQPPX-VCHYOVAHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105832
Clc1nc2SCCn2c1C=NN1CCN(Cc2ccccc2)C1=O	PC-id_74332666	361.849	OTFPFIYIDAQPPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105833
CC(COc1ccccc1CNC(=O)c1c2CNCc2c(n1C)Cl)C	PC-id_145976351	361.866	LOONGKZYILAMNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105834
Clc1ccc(Cn2c3C(CCc3nc2C(C)(C)C)CC(=O)ON)cc1	PC-id_67435013,SCHEMBL2512627	361.866	MGNHCEWXCPBICJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105835
c1(NC(=S)NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	ZINC22_4699761,EMOLS-id_1717153,PC-id_3881403,MCULE-7622878810,CoCoCo_6153987	361.869	OAQWVKBSLYZKLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105836
Clc1ccc(c2scc(n2)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_33040597	361.869	SJNCGDRSTHQWNK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105837
Clc1cccc(c1)c1nsc(n1)NC(=O)c1sc2c(c1)CCC2	MCULE-7203466870,EMOLS-id_44555773	361.869	IHJWSBKIRXWNMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105838
Clc1ccccc1C(N1CCOCC1)CNC1CC(n2c1ncn2)C	MCULE-6790039690,EMOLS-id_319951807	361.869	HPLPTIFWFOCVEV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105839
Clc1cc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)ccc1	PC-id_4955515	361.869	MGRXIWWXRCPEBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105840
Clc1c(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)cccc1	PC-id_4955472	361.869	PXXSCRANYFWONT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105841
O=C(Nc1nnc(c2ccccc2Cl)s1)c1cc2c(s1)CCC2	EMOLS-id_44547000,ZINC22_65852862,MCULE-1229617282,PC-id_71886811	361.869	LJCIOYCYQMXKSV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105842
CCCCc1ccc(cc1)C(=S)c1c(Cl)cc2n1CCC2C(=O)O	PC-id_20528191,SCHEMBL11269338	361.886	HINHNBULEDJCPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105843
CN([C@@H]1Cc2c(C1)c(sc2C(=O)/C=C/c1ccc(cc1Cl)O)C)C	PC-id_143295741	361.886	UFHLUAMONQWJGZ-IYNGYCSASA-N	00000010100000110000000010000000000000000000000000000000	25-01-105844
Clc1ccc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cc1	PC-id_44060372	361.889	RJUCZZGNIRFBAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105845
Clc1cc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)ccc1	PC-id_44060371	361.889	COSRSWKGBLYZNT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105846
Clc1c(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cccc1	PC-id_44060370	361.889	WCKUSHMHBNGTKW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105847
O=C(Nc1c2CSCc2nn1C(C)(C)C)/C=C/c1ccccc1Cl	PC-id_121030658	361.889	NEOISNPQBFGSED-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105848
Clc1cc(C[NH+]2CCN(CC2)C(=O)c2sc3c(CCC3)c2)ccc1	PC-id_9183296	361.909	IPRXPIBPUGHOBK-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-105849
C/C=C/1C(=C(C#N)C#N)C2=C(SC(=C2C1=O)C(F)(F)F)C(F)(F)F	PC-id_163550494	361.995	FIQQOVWDBUEZQJ-QHHAFSJGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105850
C1C(=CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=C1SC=C3	PC-id_152287553	362.02	WMQGPBVLIPPKKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105851
CCN1CC2=C(C1)SC(=C2C(=O)N)CC(=O)CC3=CC=C(C=C3)Cl	PC-id_161894273	362.086	YENOZSYMADUZBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105852
CS(=O)(=O)N1CC2=C(C1)NN=C2C(CC(=O)C3=CC=CC=C3)C(=O)N	PC-id_153863756	362.105	VYZUUXVGAQONII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105853
BrC(c1sc2c(CCC2)c1)c1cc(Cl)c(Cl)cc1	PC-id_63444837	362.112	PEKSMJLMLVNIGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105854
BrC(c1sc2c(CCC2)c1)c1c(Cl)ccc(Cl)c1	PC-id_55198020	362.112	NTBRITNOFMVZTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105855
BrC(c1sc2c(CCC2)c1)c1c(Cl)cc(Cl)cc1	PC-id_63443982	362.112	CVHGMHOWTLIVMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105856
CC1=CC=C(C=C1)C(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)O	PC-id_165180370	362.138	JEHQDBWZHGPTGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105857
CN1CC2=C(C1)SC(=C2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3N=C)C(=O)N(C)C	PC-id_163928301	362.178	RGKVPYLCVJVLSB-FPMFFAJLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-105858
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)C1OCCOC1	EMOLS-id_278913459	362.196	HOTMUBQJMSMQLA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105859
CC[Si](C)(C)C1(CCC1)C(=O)NC2=C3CNC(C3=NN2C(=O)C)(C)C	PC-id_160306278	362.214	PTRJOKVIPZYDFR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-105860
Brc1c2n(CCC2C(=O)O)c(c1C)C(=O)c1ccc(cc1)C	SCHEMBL11005994,PC-id_20405000	362.218	YHXJJEHRLICLCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105861
Brc1c2n(CCC2C(=O)OC)c(c1C)C(=O)c1ccccc1	SCHEMBL11007656,PC-id_20405013	362.218	GXUWIMUIQHBPNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105862
Brc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1ccc(cc1)C	SCHEMBL11007762,PC-id_20405088	362.218	PYABKPJRHFIIHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105863
Brc1c2n(CCC2C(=O)OCC)c(c1)C(=O)c1ccccc1	SCHEMBL11007638,PC-id_20405074	362.218	DVNBPZPSMZEYJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105864
Brc1cc(/C=C/2Cn3c(C2=O)ccc3)cc(OC)c1OCC	CoCoCo_4588833,CoCoCo_4588832,PC-id_24248307	362.218	JTOVXEHMPWZGBA-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105865
Brc1cc(C=C2Cn3c(C2=O)ccc3)cc(OC)c1OCC	MCULE-7647309456,PC-id_72057144,EMOLS-id_26233117	362.218	JTOVXEHMPWZGBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105866
Brc1cc(/C=C/2Cn3c(C2=O)ccc3)cc(OCC)c1OC	CoCoCo_4588830,PC-id_24249232	362.218	IDLDDKCUTMYQSM-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105867
Brc1cc(C=C2Cn3c(C2=O)ccc3)cc(OCC)c1OC	PC-id_72057145,EMOLS-id_26233115,MCULE-9822137578	362.218	IDLDDKCUTMYQSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105868
Brc1ccc(C(=O)C[C@H]2[C@H](Cn3c2ccc3)C(=O)OC)cc1	CT-id_7155211	362.218	DQIJCFFPRDNRPY-KBPBESRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105869
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1c(cc(cc1)C)C	SCHEMBL11064196,PC-id_20456510	362.218	ZACSNPNKQFLONN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105870
CCOc1c(Br)cc(/C=C/Cn3cccc3C2=O)cc1OC	PC-id_97743880,ZINC22_96941987	362.218	JTOVXEHMPWZGBA-GHXNOFRVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105871
O=C(c1nc(ncc1Br)C1CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_319698310	362.224	RVAOGRXUUIBLIS-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-105874
CCOC(=O)N1C(=C2CNC(C2=N1)(C)C)NC(=O)C3(CCC3)C(C)(C)C	PC-id_153587064	362.232	PPJMQEUWKDGIBW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-105875
OC(=O)O[C@H]1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19583943	362.237	YVSWNSNNTXZPDD-QMMMGPOBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-105876
c12CN(Cc1sc(Br)c2C(=O)OC)C(=O)OC(C)(C)C	MCULE-4336373895,EMOLS-id_331063588	362.239	HWRJZOGAIWUJFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105877
CCCCOCC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_316554091	362.239	QPOCDWSOLJLRND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105878
CC(OCCC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	MCULE-8531633813,EMOLS-id_320249720	362.239	CSCIFHGMVULHSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105879
COC(=O)c1sc2CN(Cc2c1Br)C(=O)OC(C)(C)C	EMOLS-id_331278684	362.239	AWZUJJQYSCSAPH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105880
Brc1cc(C(=O)Nc2sc3CCCc3c2C#N)ccc1N	PC-id_64320140	362.244	CHEMTYAXNKKKIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105881
Brc1cc(C(=O)Nc2sc3CCCc3c2C#N)cc(N)c1	PC-id_81552566	362.244	CQIUBJFPDPQAKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105882
Brc1cc(C(=O)Nc2sc3CCCc3c2C#N)c(N)cc1	PC-id_81661330	362.244	KJOLCGWRAHLICZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105883
Brc1cc(N)c(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_79705953	362.244	TWSKOJSHUXQXID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105884
Brc1c(C(=O)Nc2sc3CCCc3c2C#N)cc(N)cc1	PC-id_61942175	362.244	YHQKMHJOHLSYJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105885
Brc1c(N)cc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_61117042	362.244	XCZOKLQGLHUYLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105886
N#Cc1c(NC(=O)c2cccc(c2Br)N)sc2c1CCC2	PC-id_104027620	362.244	AYZYIOABNFRPGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105887
Clc1cc(c(s1)Cl)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107959573	362.251	XQPBYHIJWIGTFT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-105888
Brc1ccc(s1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320517	362.266	MOPMZHHGDZEVRI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105889
Brc1ccsc1S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320442,MCULE-7240130092	362.266	AFAKMKKRMXXOIO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105890
Brc1sc(cc1C)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318035424	362.266	VKDPOLLMSXQAPU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105891
C[C@@H]1C[C@H](NS(=O)(=O)c2sccc2Br)c2nccn12	ZINC22_333023981	362.266	AFAKMKKRMXXOIO-APPZFPTMSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105892
C[C@H]1C[C@H](NS(=O)(=O)c2sccc2Br)c2nccn12	ZINC22_333023982	362.266	AFAKMKKRMXXOIO-CBAPKCEASA-N	00000010100100000001000010000000000000000000000000000000	25-01-105893
C[C@H]1C[C@@H](NS(=O)(=O)c2sccc2Br)c2nccn12	ZINC22_333023983	362.266	AFAKMKKRMXXOIO-IONNQARKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105894
C[C@@H]1C[C@@H](NS(=O)(=O)c2sccc2Br)c2nccn12	ZINC22_333023984	362.266	AFAKMKKRMXXOIO-VXNVDRBHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-105895
CC1(Cn2cc(nc2O1)[N+](=O)[O-])Cn1cc(nn1)c1c(c(ccc1)F)F	PC-id_135369334,SCHEMBL20549003	362.291	BUXZUEAXEYPZNK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105896
Fc1ccc(c(c1)F)c1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518570	362.291	WNVBBEYAHFHZEA-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105897
Fc1ccc(c(c1)F)c1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518571	362.291	WNVBBEYAHFHZEA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105898
COC(=O)N(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])c1ccc(cc1)C(=O)O	PC-id_69483001,SCHEMBL5547902	362.294	CFWKQPSXLXVEIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105899
O1C(Cn2c1nc([N+](=O)[O-])c2)(COC(=O)Nc1ccc(cc1)C(=O)O)C	PC-id_69479209,SCHEMBL5535073	362.294	MODUYTUEVOFYNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105900
Clc1sc2CCC(Nc3cc(S(=O)(=O)C)ccc3Cl)c2c1	PC-id_81234779	362.295	OPTDNWSKKGSJMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105901
Cc1onc(c2ccc(C(F)(F)F)cc2)c1C(=O)N1Cc2c[nH]nc2C1	EMOLS-id_324015391,MCULE-2417577983,PC-id_146089241,ZINC22_647794411	362.306	DOCVEXNQAZIBGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105902
Cc1onc(c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCn2nccc12	ZINC22_367501327	362.306	WYXLGCYLWDQENW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105903
Brc1c(C2CC(NCc3sc4c(CCC4)c3)C2)cccc1	PC-id_63452885	362.327	JZHLRYRFOOOSTG-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-105904
Brc1cc(C2CC(NCc3sc4c(CCC4)c3)C2)ccc1	PC-id_63452841	362.327	NJQVPHMTBNVMOM-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-105905
Brc1ccc(C2CC(NCc3sc4c(CCC4)c3)C2)cc1	PC-id_63452883	362.327	AXZRTYCFZZCRIN-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-105906
COC(=O)C(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL21296656,PC-id_139434830	362.327	HAYJXMNWCVTVRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105907
O=C(c1ccc(c(c1)F)F)N1CCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99509435	362.331	UNHPISSKALVEIR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-105908
OB(CCCCC(C1CCN(CC1)Cc1csc2c1C(C)C=C2)N)O	PC-id_145219524	362.338	SVPFQQMNYOLVMT-UHFFFAOYSA-N	00000011100010000000000010000000000000000000000000000000	25-01-105909
FC(F)(F)C(C(=O)Nc1nn(c2C(NCc12)(C)C)C(=O)OCC)(C)C	PC-id_57523241	362.347	ULTULPIFQQVBMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105910
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(F)cc(F)c1)C#N	PC-id_8174377	362.351	CTSFTJYKZMUYPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105911
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(F)cccc1F)C#N	PC-id_8293741	362.351	YXVLPMKWSYMMAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105912
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(F)cc(F)cc1)C#N	PC-id_7951481	362.351	HMIGERNBWXJKAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105913
C1Cn2c(c(cn2)NC(=O)c2c(sc(n2)c2c(cccc2F)F)N)N1	PC-id_135965691,SCHEMBL2517830	362.357	IKNXIOGTSOZOCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-105914
c1(NC(=O)C=Cc2ccc(N(=O)=O)o2)sc2c(CCC2)c1C(=O)OC	MCULE-1529408201,PC-id_1007838	362.357	GFHQDGLDKNOULV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105915
COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCC2	CoCoCo_6922303,TIMTEC166370,PC-id_1007839,ZINC22_667231,EMOLS-id_25983925,SPECS-id_AK-968/15603792	362.357	GFHQDGLDKNOULV-FNORWQNLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105916
COC(=O)c1c(NC(=O)/C=Cc2ccc(o2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_6922304	362.357	GFHQDGLDKNOULV-ALCCZGGFSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105917
CCCc1nc2s/c(=Cc3cc(OC)c(O)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324846309	362.36	XMNJPABDOFZXJS-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105918
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc(c1O)[N+](=O)[O-]	EMOLS-id_324848366	362.36	FGVGUPIWKOOINX-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105919
n12c(=O)c(=Cc3cc(c(O)c(N(=O)=O)c3)OC)sc1nc(C(C)C)n2	MCULE-5311177813	362.36	FGVGUPIWKOOINX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105920
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CCC	MCULE-3894537021	362.36	XMNJPABDOFZXJS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-105921
s1c2c(CCC2)c(c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N	PC-id_38895720	362.36	AFDAIRCFAVGTQL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105922
s1c2c(CCC2)c(c1NC(=O)COc1c(nccc1)[N+](=O)[O-])C(=O)N	PC-id_16960438	362.36	RDZGKYAWDBVXGA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-105923
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6481424634,EMOLS-id_334334115	362.367	LBJIOYZQBGRBJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-105924
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCC2	NSC745816,ZINC22_3393136,MCULE-1044114650,EMOLS-id_45707158,PC-id_2511406	362.375	KMRZQHKTYLGIDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105925
NC(=O)c1c(NC(=O)COC(=O)c2cccc(F)c2)sc2c1CCC2	EMOLS-id_3457637,PC-id_2523723,MCULE-6982141975,CoCoCo_2926976,ZINC22_3404963	362.375	KBPWTOLLJGACSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105926
O=C(COC(=O)c1cc2c(s1)CCC2)NC(=O)Nc1ccccc1F	MCULE-6848049301,PC-id_7623645,EMOLS-id_3586842,CoCoCo_2840784,ZINC22_5308229	362.375	XTIDIENOTJTWJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105927
O=C(COC(=O)c1sc2c(c1)CCC2)NNC(=O)c1ccc(cc1)F	MCULE-3949963348,EMOLS-id_43696738,CoCoCo_2840818,PC-id_4997690	362.375	YGWLHBOLHGNURW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105928
O=C(NNC(=O)c1ccccc1F)COC(=O)c1sc2c(c1)CCC2	EMOLS-id_3475374,MCULE-8907093764,PC-id_4828828,CoCoCo_2840821	362.375	SLKJNJSEEWHXDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105929
s1c2c(CCC2)c(c1NC(=O)c1ccc(F)cc1)C(=O)NC(=O)OC	PC-id_7521433	362.375	GZXNTKIPSXOMBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105930
s1c2c(CCC2)c(c1NC(=O)c1cc(F)ccc1)C(=O)NC(=O)OC	PC-id_7521434	362.375	VPRIAIQCZWSNHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105931
s1c2c(CCC2)c(c1NC(=O)c1c(F)cccc1)C(=O)NC(=O)OC	PC-id_7521470	362.375	WBOXDPWHRLEUCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105932
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(F)cc1)C(=O)N	PC-id_2627188	362.375	QVHLIVLSLVXGTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105933
COCCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960083	362.377	XNDUCKYIGXCPTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105934
CN1C(=O)c2c(C1=O)c([nH]c2C(c1ccccc1)O)C(c1ccccc1)O	SCHEMBL4790400,PC-id_69191660	362.379	DFLKQRPSSOSHTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105935
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCC(=O)N	PC-id_16947332	362.379	USRKTNWLCLQLGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105936
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_10133242,SCHEMBL2913734	362.382	OTJKYROQWWWLJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105937
CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1cccc(c1)Oc1ccccc1	PC-id_68441060,SCHEMBL2919785	362.382	CHGIVQMTOKQNSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105938
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cn1)N(=O)=O	MCULE-4964691396,EMOLS-id_328222070	362.382	CFPBNGMILZEAQG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-105939
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccncc1N(=O)=O	MCULE-8259139455,EMOLS-id_328224379	362.382	ZSJXJSOTYBVLRC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-105940
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ncccc1N(=O)=O	MCULE-1336698948,EMOLS-id_328222068	362.382	PXJLJTWPYCXZAH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-105941
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(OC)cc2)C1)c1ccccc1	PC-id_71460368	362.382	MPIUBZYIUORHRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105942
O=C(N1CCn2nc(NC(=O)OCc3ccccc3)cc12)c1ccccc1	PC-id_58441086,SCHEMBL12307577	362.382	SBPQJYUPDRMDOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105943
O=C(n1nc(NC(=O)c2ccc(OC)cc2)c2c1CNC2)c1ccccc1	PC-id_71477258	362.382	LKQYIQITKJZNHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105944
O=C(NCCc1ccccc1)c1nc2CN(Cc2o1)C(=O)c1cccnc1	ZINC22_96147306,EMOLS-id_44304396,PC-id_97442830	362.382	JTNAKILPLVGHDM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105945
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccncn2)n1	MCULE-2916149229,EMOLS-id_316332342	362.385	PTOGEJMZXFMRDE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105946
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cncnc2)n1	EMOLS-id_316330289,MCULE-3912911804	362.385	HNACDOAFKHMWBV-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105947
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cnccn1	MCULE-4975376866	362.385	JHVJURZOHNOSDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105948
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cnccn1	MCULE-1663037461,EMOLS-id_316319543	362.385	JHVJURZOHNOSDK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105949
O=C(c1cc2n(n1)CC(C2)NC(=O)c1ccncn1)NCc1ccccc1	MCULE-1803864293	362.385	PTOGEJMZXFMRDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105950
O=C(c1nn2c(c1)CC(C2)NC(=O)c1cncnc1)NCc1ccccc1	MCULE-2110744424	362.385	HNACDOAFKHMWBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105951
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1cccnc1)NCc1ccccc1	PC-id_68440093,SCHEMBL2916876	362.385	ZSAOZKPAXUVHGV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105952
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccncc1)NCc1ccccc1	PC-id_68442124,SCHEMBL2922749	362.385	DBLAKCQQDMERTP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105953
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccccn1)NCc1ccccc1	PC-id_68440772,SCHEMBL2918955	362.385	PDHAFEPVZBVMKL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-105954
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1ccc(C(F)F)nc1	MCULE-5253593585,ZINC22_585090820,EMOLS-id_177285684	362.394	ORYXYJUWBLNLRG-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-105955
FC(CN1CCC(CC1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_111567690	362.395	HZMPVRXDUVEKJQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-105956
Cc1ccc(F)cc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-6337773966,PC-id_46861327,EMOLS-id_31548352	362.397	VRTMBDYRNDWQSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105957
Cc1ccc(F)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340505,ZINC22_51364554	362.397	VRTMBDYRNDWQSX-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105958
Cc1ccc(F)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364553,PC-id_52340504	362.397	VRTMBDYRNDWQSX-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105959
Cc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1F	PC-id_46861325,MCULE-5138740146,EMOLS-id_31548348	362.397	XLDSUOLRODEOTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105960
Cc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(F)c1	MCULE-5885805969,EMOLS-id_31548346,PC-id_46861324	362.397	XGWPRSSOVYDSBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105961
Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1F	PC-id_52340501,ZINC22_51364550	362.397	XLDSUOLRODEOTH-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105962
Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1F	ZINC22_51364549,PC-id_52340500	362.397	XLDSUOLRODEOTH-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105963
Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(F)c1	PC-id_52340499,ZINC22_51364548	362.397	XGWPRSSOVYDSBW-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105964
Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(F)c1	ZINC22_51364547,PC-id_52340498	362.397	XGWPRSSOVYDSBW-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105965
Cc1cc(F)ccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861326,MCULE-3582709560,EMOLS-id_31548350	362.397	LKCZYLVFIDOYRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105966
Cc1cc(F)ccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340502,ZINC22_51364551	362.397	LKCZYLVFIDOYRY-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105967
Cc1cc(F)ccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340503,ZINC22_51364552	362.397	LKCZYLVFIDOYRY-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105968
Cc1cc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)ccc1F	PC-id_46861333,MCULE-2322821016,EMOLS-id_31548364	362.397	CCINFSWURFSKNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105969
Cc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)ccc1F	PC-id_52340516,ZINC22_51364565	362.397	CCINFSWURFSKNE-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105970
Cc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)ccc1F	ZINC22_51364566,PC-id_52340517	362.397	CCINFSWURFSKNE-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105971
Fc1ccc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	EMOLS-id_31799157,MCULE-5740175865,PC-id_11233782	362.397	IESNTSJEYNNXJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105972
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1ccc(F)cc1	PC-id_52451463,ZINC22_57476780	362.397	IESNTSJEYNNXJX-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105973
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1ccc(F)cc1	ZINC22_57476782,PC-id_52451464	362.397	IESNTSJEYNNXJX-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105974
Cc1c(ccc(c1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C)OC	SCHEMBL14056179,PC-id_89237551	362.4	QLAYKJRROKDTPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105975
CSc1ccc(n1C)C(=O)c1c(C)c(c2n1CCC2C(=O)O)C(=O)O	SCHEMBL10644822,PC-id_13424019	362.4	OCHBJOFUWMJEEX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105976
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)NCCS(=O)(=O)O	SCHEMBL12608956,PC-id_44251022	362.4	BOOGMNAOOHGHNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-105977
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(occ1)C)C)C(=O)N	PC-id_9384722	362.4	ORFAUPRJTWUTHL-VIFPVBQESA-N	00000010101000000000000010000000000000000000000000000000	25-01-105978
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(occ1)C)C)C(=O)N	PC-id_9384723	362.4	ORFAUPRJTWUTHL-SECBINFHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105979
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(oc(c1)C)C)C(=O)N	PC-id_2584477	362.4	BYEFOASVNCFALB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105980
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(occ1)C)C)C(=O)N	PC-id_84997704	362.4	ORFAUPRJTWUTHL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105981
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1n(ccc1)C)C(=O)OC	PC-id_7284495	362.4	DFDQAQWMVKFWBJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105982
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]ccc1)C(=O)OCC	PC-id_8545822	362.4	NHAWDGVPBXOLGO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-105983
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1occc1)C(=O)N	PC-id_8387923	362.4	FHPIBUSHNNYGAW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-105984
S1Cc2c(noc2NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1	PC-id_49719061	362.4	ZRVFNVFTYZNRLA-SNAWJCMRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105985
S1Cc2c(noc2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)C1	PC-id_75355074	362.4	ZRVFNVFTYZNRLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105986
CCCC(=O)n1nc(c2c1C(C)(C)NC2)Nc1nc(OCC)ncc1F	PC-id_68164451,SCHEMBL11913282	362.402	GPNUEQHKWWMLGY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105987
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)OC(C)(C)C)(C)C)nc(nc1)C	PC-id_59333980,SCHEMBL3327623	362.402	IBIYYYYXFUPSNE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105988
N#Cc1c(/N=C/c2ccc(c3cccc(C(=O)O)c3)o2)sc2c1CCC2	ZINC22_3030704	362.402	SFWJAJXKEPKOHR-SSDVNMTOSA-N	00000010101000110000100010000000000000000000000000000000	25-01-105989
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)N)n(C)nc(C(=O)OCC)c1	SPECS-id_AK-968/41169576,MCULE-8396013919,ZINC22_2736104,EMOLS-id_4039997,PC-id_4184672,CoCoCo_5808868	362.404	MQZNXHMTNNGHRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105990
c1(NC(=O)c2cccc(c2)N(=O)=O)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_30104082,PC-id_2160360,ChEMBL-DNDi_CHEMBLF0561-0451,MCULE-3235161873	362.404	RMPIYPDSERDBCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105991
c1(NC(=O)c2ccccc2N(=O)=O)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160356,MCULE-4980121179,ChEMBL-DNDi_CHEMBLF0561-0442,EMOLS-id_30104072	362.404	YYEFHZGUHGEGIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105992
c1(NC(=O)c2nn(c(C(=O)OCC)c2)C)sc2c(CCC2)c1C(=O)N	ZINC22_2786265,PC-id_4773983,MCULE-7845088580,EMOLS-id_4039995	362.404	NCIPKQXHPTWQSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-105993
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])C[S@](=O)C2	CoCoCo_4985313,ZINC22_4106090,PC-id_11863871	362.404	YYEFHZGUHGEGIC-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105994
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])C[S@@](=O)C2	ZINC22_2724989,PC-id_11877723,GD-id_ZINC02724989,CoCoCo_4985314	362.404	YYEFHZGUHGEGIC-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-105995
CC(C)(C)n1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1)C[S@](=O)C2	CoCoCo_4985323,ZINC22_4106099,PC-id_11863875	362.404	RMPIYPDSERDBCR-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105996
CC(C)(C)n1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1)C[S@@](=O)C2	CoCoCo_4985324,PC-id_11877727,ZINC22_2724993	362.404	RMPIYPDSERDBCR-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-105997
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ncnc(c1)OCC	PC-id_121167685	362.404	VPSFEMBFZYJOLT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-105998
CC(=O)NCc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCc3nccn23)cc1	ZINC22_2325829292	362.404	FKTREXLVOKMWGN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-105999
CC(=O)NCc1ccc(S(=O)(=O)NC(=O)[C@H]2CCc3nccn23)cc1	ZINC22_2325829293	362.404	FKTREXLVOKMWGN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106000
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1conc1)Cc1ccco1	PC-id_92109669	362.404	KOFQMCVZQPQFRU-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-106001
CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1	CoCoCo_4491297,PC-id_25569604,MCULE-6789627162,ZINC22_12875144	362.404	YDAGIOQLOHZKHF-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106002
COc1ccc(cc1S(=O)(=O)NC1CC1)C(=O)N1CCn2c1ncc2	EMOLS-id_319022923	362.404	IKMMWTGHMXJOKE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106003
COCCNc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-]	CoCoCo_4164332,ZINC22_12545187,EMOLS-id_24098317,PC-id_25348746,MCULE-8265322715	362.404	LZOXDKGSAQMFPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106004
Oc1ccc(cc1NC(=O)c1n[nH]c2c1CCC2)N1CCCS1(=O)=O	EMOLS-id_98153262	362.404	YKLJTNNOJCJYMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106005
O=C(c1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2)N1CCOCC1	MCULE-1357784550,EMOLS-id_319822327	362.404	JQIRYDBPFUJMOA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-106006
O=C(c1nn2c(c1)OCC2)Nc1cccc(c1)N1CCS(=O)(=O)CC1	EMOLS-id_99552176	362.404	XVISDUQHPWRMCH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106007
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)CCC(=O)c1ccccc1	SCHEMBL2923831,PC-id_68442576	362.404	VDHOMTOUVYDRDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106008
OC(=O)/C=Cc1ccc(cc1)S(=O)(=O)N(Cc1nnc2n1CCC2)C	CoCoCo_4491298	362.404	YDAGIOQLOHZKHF-TWGQIWQCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106009
OC(=O)C=Cc1ccc(cc1)S(=O)(=O)N(Cc1nnc2n1CCC2)C	MCULE-8039196439,EMOLS-id_26227743,PC-id_72059523	362.404	YDAGIOQLOHZKHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106010
s1c2CCCc2cc1C(=O)NNC(=O)c1nn(CCOC)c(=O)cc1	PC-id_29763806	362.404	FHUMNYOEOAILKH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106011
s1c2c(CCC2)c(c1NC(=O)c1nn(c(c1)C)C)C(=O)NC(=O)OC	PC-id_16952244	362.404	HFWYZXJWAJLNRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106012
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1oc([N+](=O)[O-])cc1	PC-id_44060330	362.404	RMPFGCRHTXLNOF-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-106013
S1CCn2c1nnc2NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	PC-id_44007649	362.404	XMECSCIRNATNPD-SNAWJCMRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106014
S1CCn2c1nnc2NC(=O)C=Cc1cc(OC)c(OC)c(OC)c1	PC-id_74908287	362.404	XMECSCIRNATNPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106015
[S@@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_11883707	362.404	FQMNKFXIXAZCJO-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-106016
[S@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_11883708	362.404	FQMNKFXIXAZCJO-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106017
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_3390407	362.404	FQMNKFXIXAZCJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106018
c1(C#N)c2CCCc2sc1N=Cc1cccn1c1ccc(cc1)N(=O)=O	PC-id_1421321,MCULE-4212364571	362.405	YENCSGKYUOYTOE-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-106019
c1(NC(=O)c2cc(=O)[nH]c(c3ccccc3)n2)sc2c(CCC2)c1C#N	MCULE-6541858158,EMOLS-id_322842032	362.405	FAYHTXVVTLBDBC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106020
c1(NC(=O)c2cnc([nH]c2=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_322834875,MCULE-9032650355	362.405	MEULXTVCAFRCJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106021
N#Cc1c(/N=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	ZINC22_1310462,EMOLS-id_26261325,PC-id_9619233,STOCK1S-90459	362.405	YENCSGKYUOYTOE-CIAFOILYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-106022
c1(NC(=O)c2cnccn2)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138961,CoCoCo_5277574,MCULE-1691834562,EMOLS-id_24913279,PC-id_30862282	362.407	GYCMNLFLJLRSEU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106023
O=C(NC(CO)(CO)CO)C1C(C(n2c1ccc2C(=O)c1ccccc1)([2H])[2H])([2H])[2H]	PC-id_71749700	362.413	QYIXDZZHVVTARJ-LZMSFWOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106024
s1c2CCCc2cc1C(=O)Nc1scc(n1)c1cc(F)c(F)cc1	PC-id_8801212	362.417	YRPNGFKXXZANGK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106025
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1cc(F)c(F)cc1)C)C#N	PC-id_84995658	362.417	OYRKKGQBQDFIPQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106026
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1c(F)cc(F)cc1)C)C#N	PC-id_84994208	362.417	YGWQVTFGLXUMEN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106027
s1c2CCCc2c(c1NC(=O)C[NH2+][C@H](c1cc(F)c(F)cc1)C)C#N	PC-id_9377097	362.417	OYRKKGQBQDFIPQ-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-106028
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1cc(F)c(F)cc1)C)C#N	PC-id_9377101	362.417	OYRKKGQBQDFIPQ-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106029
s1c2CCCc2c(c1NC(=O)C[NH2+][C@H](c1c(F)cc(F)cc1)C)C#N	PC-id_9370490	362.417	YGWQVTFGLXUMEN-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-106030
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1c(F)cc(F)cc1)C)C#N	PC-id_9370495	362.417	YGWQVTFGLXUMEN-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106031
COCCN(C(=O)c1sc2c(c1)N(CC2)C(=O)c1ccc(cc1)F)C	PC-id_97410572	362.418	QSFPOAMQLNLADS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106032
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(F)cc1)C(=O)OCC	PC-id_9098673	362.418	FPIHCESMFXZBTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106033
s1c2c(CCC2)c(c1NC(=O)CNc1cc(F)ccc1)C(=O)OCC	PC-id_9098927	362.418	WNXLOIZNHMBYPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106034
s1c2c(CCC2)c(c1NC(=O)CNc1c(F)cccc1)C(=O)OCC	PC-id_9099175	362.418	PFDYWMHLNOVSLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106035
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_78437855	362.42	NUUBFQMTRMAPEL-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-106036
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7013457	362.42	NUUBFQMTRMAPEL-QWRGUYRKSA-M	00000010100011000000000010000000000000000000000000000000	25-01-106037
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7013459	362.42	NUUBFQMTRMAPEL-MNOVXSKESA-M	00000010100011000000000010000000000000000000000000000000	25-01-106038
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7013461	362.42	NUUBFQMTRMAPEL-WDEREUQCSA-M	00000010100011000000000010000000000000000000000000000000	25-01-106039
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7013463	362.42	NUUBFQMTRMAPEL-GHMZBOCLSA-M	00000010100011000000000010000000000000000000000000000000	25-01-106040
c12SCCn1cc(CNC(=O)CCC(=O)Nc1cc(C)ccc1F)n2	ZINC22_55224879,PC-id_46990288,EMOLS-id_31612897,MCULE-1745340230	362.422	GPGIEEGHALBNPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106041
c1(NC(=O)c2cccc(F)c2)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277496,ZINC22_23138748,EMOLS-id_24913135,MCULE-1934177996,PC-id_30862087	362.422	CIKPUJFCHMNOKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106042
S1Cc2c(nn(c2NC(=O)c2ccc(F)cc2)CC(=O)NCCC)C1	PC-id_44052831	362.422	RDNLLKAHOOMAKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106043
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2)CC(=O)NCCC)C1	PC-id_44052830	362.422	ULMDRMFQZPSQEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106044
S1Cc2c(nn(c2NC(=O)CC)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053654	362.422	BKLKLQZVKSLXGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106045
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccccn1)C(=O)O	PC-id_57791590,SCHEMBL13786740	362.423	PEHPKJRGFSEUSC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-106046
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)COc1ccccc1	PC-id_91572637	362.425	UOOQAFCJTGEBGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106047
c1(CN(C)C(=O)c2cccc(c2)c2c(cccn2)OC)c2CCCc2[nH]n1	EMOLS-id_177473968,MCULE-7237084877,PC-id_121508970,ZINC22_426615594	362.425	ULJDQSMOFSLYSD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-106048
c1(C(=O)NCc2ccc(cc2)CC)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316325175,MCULE-5335829792	362.425	VWFDUXZXRYUUQA-IBGZPJMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-106049
c1(C(=O)NCc2cc(C)ccc2C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-6188349819,EMOLS-id_316325181	362.425	GEZIHWMRHJNMFJ-IBGZPJMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-106050
c1(C(=O)N(Cc2cccnc2)Cc2ccccc2OC)c2CCCc2[nH]n1	EMOLS-id_31615492,PC-id_46992083,ZINC22_55255240,MCULE-5483179848	362.425	KOTATZJHXBAALD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106051
c1(C(=O)NCc2cccnc2Oc2c(C)cccc2C)c2CCCc2[nH]n1	ZINC22_67789098,PC-id_56752758,EMOLS-id_36599279,MCULE-6017868469	362.425	DNWRRPKHVHTXKL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106052
c1(C(=O)N(CC)Cc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316253690,MCULE-8639654332	362.425	OCWVKVLWVLINGC-IBGZPJMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-106053
c1(C(=O)NCCCc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316328752,MCULE-9000782772	362.425	USWOATOQAVUQRQ-IBGZPJMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-106054
c1(C(=O)N(CC)Cc2ccccc2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-5114332330	362.425	OCWVKVLWVLINGC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106055
Cc1ccc(c(c1)CNC(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)C	MCULE-5883151056	362.425	GEZIHWMRHJNMFJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106056
Cc1cc(C(=O)N)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)[nH]1	MCULE-2781851477,EMOLS-id_328221053	362.425	PYFVZUMJINWQTQ-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-106057
CN(Cc1nnc2n1CCC2)C(=O)COc1ccccc1c1ccccc1	ZINC22_40030739,MCULE-7617255137,PC-id_45863476,EMOLS-id_29688515,CoCoCo_4491577	362.425	MIGFFMCEQUHBPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106058
CN(C(=O)c1c(CN)nn2c1CCC2)c1ccc(Oc2ccccc2)cc1	ZINC22_2325859198	362.425	QSUZAXFMVPVCCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106059
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68440753,SCHEMBL2918893	362.425	OMDZYFVKKSROEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106060
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68442007,SCHEMBL2922498	362.425	VVTQUTGQKGMRPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106061
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68442641,SCHEMBL2924011	362.425	KMPDLJCHIBAPRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106062
COc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68440754,SCHEMBL2918895	362.425	PPPYCMJVHSEOPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106063
COc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2922501,PC-id_68442008	362.425	SCKIEYBUVKKOGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106064
COc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2924015,PC-id_68442643	362.425	YMEBWCDNKDGXKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106065
COc1cccc(c1)C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_90708691	362.425	HYCMSUQTLNXRPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106066
O(c1cc(C(=O)NCc2n3CCCc3nn2)ccc1)Cc1cc(ccc1)C	PC-id_52179124	362.425	NBBQXCGGULKUOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106067
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)NCCCc1ccccc1	MCULE-4932509013	362.425	USWOATOQAVUQRQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106068
O(CC(=O)Nc1n[nH]c2CN(Cc12)CCc1ccccc1)c1ccccc1	PC-id_68442306,SCHEMBL2923203	362.425	YDPSQFGMEHDJHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106069
O=C(NCCc1nnc2n1CCC2)c1ccccc1COc1ccccc1	ZINC22_42502715,MCULE-6630481544,EMOLS-id_35706150,PC-id_53507996	362.425	DPAGTIVHLGBGDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106070
C1Cc2c(C1)sc(c2C(=O)N)NC(=O)CSc1cnc(cc1)N=O	SCHEMBL13182989,PC-id_89031897	362.427	LXENDXQJQUWNPF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-106071
C[C@@]1(CN2CCN(CC2)N=C2CCCCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5540915,PC-id_69480977	362.427	ZVMNEDUUPGUAPZ-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106072
CC1(CN2CCN(CC2)N=C2CCCCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5540919,PC-id_69480979	362.427	ZVMNEDUUPGUAPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106073
s1c2CCCc2cc1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	PC-id_8660010	362.427	YOHJZJMKEMRAKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106074
s1c2CCCc2c(c1NC(=O)COC(=O)c1snnc1CC)C#N	PC-id_8535215	362.427	WENOCOIQKFDGED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106075
S(=O)(=O)(Nc1c(/C(=N/Cc2n3CCCc3nn2)/[O-])cccc1)CCC	PC-id_52413932	362.427	RYMLTQXNIHXULX-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-106076
c1(CN(C)C(=O)Nc2cccc(c2)c2ccnc(C)n2)c2CCCc2[nH]n1	EMOLS-id_68897341,ZINC22_299781011,PC-id_118773698,MCULE-5953771502	362.428	QSDHCXXTMGDYDS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106077
Cc1cnnc(c2ccc(C(=O)NC[C@@H]3Cc4nnc(C)n4C3)cc2)c1C	ZINC22_2356156376	362.428	ZFRRESDQDSKUJO-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106078
Cc1cnnc(c2ccc(C(=O)NC[C@H]3Cc4nnc(C)n4C3)cc2)c1C	ZINC22_2356156377	362.428	ZFRRESDQDSKUJO-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106079
Cc1nnc2CC(CNC(=O)c3ccc(cc3)c3nncc(C)c3C)Cn12	EMOLS-id_337835842	362.428	ZFRRESDQDSKUJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106080
CC(C)c1ccc(c2cccc(C(=O)NCc3nnc4n3CCC4)c2)nn1	ZINC22_299773344,MCULE-3531783162,EMOLS-id_68914340,PC-id_118782038	362.428	FFXDCKPCVJQQIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106081
C#CCCC1(CCC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)N=N1	ZINC22_2325892173	362.428	CTLFUJIWSLLJEK-UHFFFAOYSA-N	00110010100000110001000010000000000000000000000000000000	25-01-106082
O=C(NCc1n2CCCc2nn1)Nc1c(N(c2ccccc2)C)cccc1	PC-id_55793507	362.428	ITAILNMVAAEALE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106083
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(c3c3ccccc3)C)c1nnc2C	PC-id_59247736	362.432	BQBBISFDJWYYKH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-106084
O=C(c1sc2c(c1)CCC2)NC1CNCCC1c1ccc(c(c1)F)F	PC-id_120487831	362.437	UBYGRQWNNZPMGW-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-106085
Fc1ccccc1CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328214909,MCULE-9789032269	362.44	ROPOSPDBSBMTJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106086
Fc1ccc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-8145830945,EMOLS-id_328214898	362.44	PGCSULXOMWJVOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106087
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1ccc(cc1)F	EMOLS-id_186593836,MCULE-7754200593	362.442	SZRIUXPKNBXGQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106088
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1ccccc1F	EMOLS-id_186599764,MCULE-8324498744	362.442	GNHXJCKPMFCVRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106089
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1cc(F)ccc1	EMOLS-id_186645842,MCULE-9861920117	362.442	CVMAWQAUPQWQLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106090
Fc1ccc(cc1)C[N@H+](CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_9252160,GD-id_ZINC08120560	362.442	FYAFGLGFCBYXFZ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106091
FC1CC(N(C1)C(=O)c1n[nH]c2c1CCC2)CNC(=O)C1CCCCC1	PC-id_77847901	362.442	SNWSNZDGEKIGOI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106092
F[C@H]1C[C@H](N(C1)C(=O)c1n[nH]c2c1CCC2)CNC(=O)C1CCCCC1	PC-id_70730025,EMOLS-id_44432391,MCULE-9099480235	362.442	SNWSNZDGEKIGOI-KBPBESRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106093
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[NH2+][C@H](c1ccccc1F)C	GD-id_ZINC25406154,PC-id_32714813	362.442	UWABUDHHMZFEFH-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-106094
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(c2ccccc2)cc1	PC-id_7238970	362.442	GPFLYDSWSPEGDL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-106095
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1c(F)cccc1)C)C(=O)N	PC-id_74627869	362.442	UWABUDHHMZFEFH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106096
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1c(F)cccc1)C)C(=O)N	PC-id_32714810	362.442	UWABUDHHMZFEFH-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106097
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(F)cccc1)C)C(=O)N	PC-id_9035483	362.442	PPAVPUJWTLOBSY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106098
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCC2)c1C(=O)N	PC-id_2933128,TIMTEC602895,MCULE-2047607568,EMOLS-id_2201374	362.443	ZSIOQPWHGGVIDW-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106099
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)N)CCC3)[C@H](C(=O)O)C1	PC-id_1293233,ZINC22_4902951,CoCoCo_905942	362.443	ZSIOQPWHGGVIDW-VXGBXAGGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106100
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)N)CCC3)[C@@H](C(=O)O)C1	PC-id_2180809,CoCoCo_905945,ZINC22_2821382	362.443	ZSIOQPWHGGVIDW-NEPJUHHUSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106101
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)N)CCC3)[C@@H](C(=O)O)C1	ZINC22_4902953,PC-id_1293234,CoCoCo_905943	362.443	ZSIOQPWHGGVIDW-RYUDHWBXSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106102
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)N)CCC3)C1	PC-id_2180807,CoCoCo_905944,ZINC22_2821381	362.443	ZSIOQPWHGGVIDW-NWDGAFQWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106103
C=C/C=C(C(=C)OC)/CNC(=O)c1c(N)sc2c1C(CC2)CC(=O)O	PC-id_144752332	362.443	ZXIPQIURJOEELZ-XGICHPGQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106104
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CCNCc1occc1	ChEMBL-DNDi_CHEMBL1621950,MCULE-2706028503,PC-id_2406927,ZINC22_3291306,CoCoCo_3775404	362.443	PTJXCYAIQZCZNN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-106105
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCS(=O)(=O)O	EMOLS-id_328212856,MCULE-2217301824	362.443	NGJRKMMRHINNLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106106
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)C[C@@H]1CCC=C1)C)C(=O)N	PC-id_8999587	362.443	VQOLMPBICNKVLI-QWRGUYRKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-106107
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)C[C@@H]1CCC=C1)C)C(=O)N	PC-id_8999588	362.443	VQOLMPBICNKVLI-MNOVXSKESA-N	00000011100000000000000010000000000000000000000000000000	25-01-106108
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)C[C@H]1CCC=C1)C)C(=O)N	PC-id_8999589	362.443	VQOLMPBICNKVLI-WDEREUQCSA-N	00000011100000000000000010000000000000000000000000000000	25-01-106109
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)C[C@H]1CCC=C1)C)C(=O)N	PC-id_8999590	362.443	VQOLMPBICNKVLI-GHMZBOCLSA-N	00000011100000000000000010000000000000000000000000000000	25-01-106110
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H]1CCC=CC1)C)C(=O)N	PC-id_8948035	362.443	XLHBLYQCBCZIGP-QWRGUYRKSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106111
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@@H]1CCC=CC1)C)C(=O)N	PC-id_8948042	362.443	XLHBLYQCBCZIGP-MNOVXSKESA-N	00000010100011000000000010000000000000000000000000000000	25-01-106112
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H]1CCC=CC1)C)C(=O)N	PC-id_8948048	362.443	XLHBLYQCBCZIGP-WDEREUQCSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106113
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@H]1CCC=CC1)C)C(=O)N	PC-id_8948056	362.443	XLHBLYQCBCZIGP-GHMZBOCLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106114
s1c2c(CCC2)c(c1NC(=O)CNC(c1occc1)C)C(=O)OCC	PC-id_84871212	362.443	YRSCCJGZAJWFEC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-106115
s1c2c(CCC2)c(c1NC(=O)CN(Cc1occc1)C)C(=O)OCC	PC-id_9334089	362.443	VYPBGVHEQSZGMY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-106116
s1c2c(CCC2)c(c1NC(=O)CN[C@H](c1occc1)C)C(=O)OCC	PC-id_8918971	362.443	YRSCCJGZAJWFEC-NSHDSACASA-N	00000010101000000000000010000000000000000000000000000000	25-01-106117
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](c1occc1)C)C(=O)OCC	PC-id_8918976	362.443	YRSCCJGZAJWFEC-LLVKDONJSA-N	00000010101000000000000010000000000000000000000000000000	25-01-106118
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C1CCC=CC1)C)C(=O)N	PC-id_84880295	362.443	XLHBLYQCBCZIGP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106119
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CC1CCC=C1)C)C(=O)N	PC-id_84897201	362.443	VQOLMPBICNKVLI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-106120
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1	BAS-00486924,ZINC22_727186,CoCoCo_81789,PC-id_1049753,SPECS-id_AE-848/34090103,EMOLS-id_1231045,MCULE-5623164326	362.445	KSWRYDLOUCLPGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106122
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/41728684,CoCoCo_936494,ZINC22_1142257,Chemmine_11904,PC-id_1314685,MCULE-2865851319,EMOLS-id_1733208,SPECS-id_AN-153/I244167	362.445	CAQXFGNGQZGTLU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-106123
Cc1ccc(c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1C	PC-id_4002636,ZINC22_6205767	362.445	CWGNZOCWFJJXBX-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106124
O=C(c1cc2c(s1)CCN2C(=O)c1ccccc1)NCc1ccccc1	PC-id_97407187	362.445	XAOBEISNLPUHAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106125
s1c(NC(=O)c2ccccc2)c2CCN(c2c1C(=O)c1ccccc1)C	PC-id_44512771	362.445	VXVZWVAERNLBGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106126
c1(C(=O)NCCCNS(=O)(=O)c2ccc(cc2)C)c2CCCc2[nH]n1	EMOLS-id_222774990,ZINC22_670456136,MCULE-7819727425	362.447	SORAFAZUEBCQFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106127
c1(NC(=O)C(C)(C)C)c2CSCc2nn1CC(=O)NCc1ccco1	EMOLS-id_24913447,CoCoCo_5277712,ZINC22_23139347,MCULE-6544049185,PC-id_30862611	362.447	UOJTUPBJSDEAAI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-106128
c1(NC(=O)C(=O)NCCCN2CCOCC2)c(C#N)c2c(s1)CCC2	CHEMBL1323392,PC-id_8031105,CoCoCo_6533761,MCULE-4810955100,EMOLS-id_4736036,STOCK6S-07605,TIMTEC313321,ChEMBL-DNDi_CHEMBL1323392,ZINC22_20573272	362.447	MNFBFYCNFYHEIL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106129
c1(NC(=O)NCCc2ccc(c(OC)c2)OC)n(C)nc2CSCc12	EMOLS-id_93423661,MCULE-2379820870,STOCK7S-57732,ZINC22_409414895,PC-id_121240083	362.447	YEXMRXDOYMTTCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106130
Cc1cccc(c1)N(CC(=O)NCc1n[nH]c2CCCc12)S(=O)(=O)C	MCULE-6632040151,PC-id_46987196,EMOLS-id_31608382,ZINC22_55133675	362.447	FFAFDKWYSTYPMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106131
Cc1cc(ccc1NS(=O)(=O)c1cnc2n1CCC2)N1CCOCC1	EMOLS-id_100459484	362.447	VPHVSYZSCLRLKG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106132
Cc1cccnc1OC1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1	MCULE-5381911920,ZINC22_333148152,EMOLS-id_101801198	362.447	KJFZXKXXQXQMLU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-106133
Cc1ccnc(c1)OC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242436	362.447	CENXHVHZLQFTJE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-106134
Cc1cnccc1OC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101264767	362.447	GGEFOORQLKOKBK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-106135
CC(C)(C)c1ccc(cc1)C(=O)Nn1c2c(CN(C2)S(=O)(=O)C)cn1	PC-id_91210276	362.447	NRTBNTBHXLOPNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106136
CCCCn1c(N)c(N(C)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O	MCULE-1793113694,PC-id_17440033,EMOLS-id_13452660,CoCoCo_3299820,ZINC22_14085431	362.447	SWQGBVVXBXLMJP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106137
CCCCN(C(=O)c1ccccc1S(=O)(=O)N1CCn2c1ncc2)C	EMOLS-id_319926677,MCULE-6331872053	362.447	KKYSZGAAJSJSFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106138
CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C)CC	EMOLS-id_318014384	362.447	FPQRCSZOPCIUMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106139
COc1ccccc1C1CNCCN1S(=O)(=O)c1cnc2n1CCC2	PC-id_120876668	362.447	QNSKRXTVIDYGOT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106140
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_9947092,SCHEMBL2921766	362.447	AZVJBBMKMGOWHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106141
O=S(=O)(c1cnc2n1CCC2)Nc1cccc(c1)CN1CCOCC1	EMOLS-id_101130201	362.447	LKKOQRKGJYVWAI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-106142
O=S(=O)(c1cnc2n1CCC2)Nc1ccc(cc1)CN1CCOCC1	EMOLS-id_97704179	362.447	URUDBADMVUIDOO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-106143
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)OCC)C#N	PC-id_2654285	362.447	RDMHNHPZHZURIX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106144
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cn(nc1)C)C)C(=O)OC	PC-id_22196089	362.447	PUQWFMKDBSOLTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106145
s1c2CCCc2c(c1NC(=O)CN(CC(=O)N1CCOCC1)C)C#N	PC-id_8711541	362.447	NVXNELMOYQZVMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106146
S1Cc2c(n(nc2C1)CC(=O)NCc1occc1)NC(=O)CCCC	PC-id_44053250	362.447	HZMUBEKWJHHPRH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-106147
S1Cc2c(n(nc2C1)CC(=O)NCc1occc1)NC(=O)CC(C)C	PC-id_44053251	362.447	OZDGZCHFCSHXEH-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-106148
c1(NC(=O)c2cnn(c3ccc(cc3)C)c2C)sc2c(CCC2)c1C#N	EMOLS-id_322821932,MCULE-3983355906	362.448	DGODQCAJRQQXEW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106149
Cc1ccc(cc1)n1c(=O)c(c([nH]1)C)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135444169	362.448	BQBDFRFTVLYVJB-SSDVNMTOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106150
CC1=NN(c2ccc(C)cc2)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	EMOLS-id_1264926,ZINC22_100552374,SPECS-id_AG-690/11820008,PC-id_5437326,CoCoCo_121746,BAS-00709886	362.448	HYEDPLRHNJTRBA-BOPFTXTBSA-N	00000011100000110001100010000000000000000000000000000000	25-01-106151
CC1=NN(c2ccc(C)cc2)C(=O)/C/1=C/Nc1sc2c(c1C#N)CCC2	ZINC22_101122140,PC-id_22303749,CoCoCo_121747,EMOLS-id_49396683	362.448	HYEDPLRHNJTRBA-GZTJUZNOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-106152
CN(c1ccc(C=c2c(=O)n3c(nc(n3)Cc3ccccc3)s2)cc1)C	MCULE-1876072479,EMOLS-id_26226583	362.448	TVCULGWQYHXYJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106153
CN(C)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_45606599,ZINC22_9914696	362.448	TVCULGWQYHXYJW-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106154
CN(C)c1ccc(/C=c/sc3nc(Cc4ccccc4)nn3c2=O)cc1	ZINC22_96935806,PC-id_97741305	362.448	TVCULGWQYHXYJW-SFQUDFHCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106155
CN(C)c1ccc(/C=c/2sc3nnc(Cc4ccccc4)n3c2=O)cc1	NSC637639,ZINC22_16957481	362.448	NTCDRAWSLHNGLG-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106156
CN(C)c1ccc(/C=c/sc3nnc(Cc4ccccc4)n3c2=O)cc1	ZINC22_1625271	362.448	NTCDRAWSLHNGLG-SFQUDFHCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106157
N1(c2ccc(cc2)C)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	MCULE-7639460414,PC-id_6750643	362.448	HYEDPLRHNJTRBA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-106158
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)c(C)nc(N2CCOCC2)s1	EMOLS-id_330372592,MCULE-2079476366	362.45	UYLHHLRPVOSXCF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106159
Cc1cc(C)nc(n1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100244518	362.45	OKWWGJMVNCJPCN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-106160
Cc1nc(N2CCOCC2)sc1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1857717015	362.45	UYLHHLRPVOSXCF-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106161
Cc1nc(N2CCOCC2)sc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1857717018	362.45	UYLHHLRPVOSXCF-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106162
CC(C)c1noc([C@@H]2CCCN2C(=O)NCc2cn3c(n2)SCC3)n1	EMOLS-id_82740179,MCULE-7247461114,ZINC22_426698145,PC-id_119073616	362.45	BJHTYUBZSPJGKN-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-106163
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1csnn1)C2	EMOLS-id_313733589,ZINC22_1565554264	362.45	WLYYMOOTBLVUND-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106164
COCc1n[nH]c(n1)C1CCCCN1C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318102035	362.45	BVYLVUPPHMWFQF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106165
CO[C@H](CC(C)C)C(=O)NC[C@@H]1CCCN1C(=O)c1occ2c1CCC2	ZINC22_2325828327	362.463	DPUHCJGXXZOGKP-DOTOQJQBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106166
CO[C@H](CC(C)C)C(=O)NC[C@H]1CCCN1C(=O)c1occ2c1CCC2	ZINC22_2325828328	362.463	DPUHCJGXXZOGKP-NVXWUHKLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106167
CO[C@@H](CC(C)C)C(=O)NC[C@@H]1CCCN1C(=O)c1occ2c1CCC2	ZINC22_2325828329	362.463	DPUHCJGXXZOGKP-RDJZCZTQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106168
CO[C@@H](CC(C)C)C(=O)NC[C@H]1CCCN1C(=O)c1occ2c1CCC2	ZINC22_2325828330	362.463	DPUHCJGXXZOGKP-WBVHZDCISA-N	00000010100000000000000010000000000000000000000000000000	25-01-106169
CC(NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12)(C1CC1)C1CC1	ZINC22_620030273	362.465	JCOJXXKIKMCEIF-GOSISDBHSA-N	00100010100000110000000010000000000000000000000000000000	25-01-106170
CC(NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12)(C1CC1)C1CC1	ZINC22_620030274	362.465	JCOJXXKIKMCEIF-SFHVURJKSA-N	00100010100000110000000010000000000000000000000000000000	25-01-106171
CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1n[nH]c2c1CCC2	ZINC22_329894072,MCULE-9863444360,EMOLS-id_100058976	362.465	BBBICLVUQTZMGQ-STQMWFEESA-N	00000010100100000001000010000000000000000000000000000000	25-01-106172
O=c1n2c(cn1C(C)(C)C)CC[C@@H]2C(c1ccccc1)(c1ccccc1)O	PC-id_102170868	362.465	MGKUUFXBKFXPPP-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106173
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)N1CCOCC1	EMOLS-id_179140139,PC-id_1652094,ZINC22_1925569,MCULE-1864365427	362.466	RSTQBSSVQAJHBN-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-106174
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)CCC3CCCCC3)C2)n1	MCULE-3524197614,EMOLS-id_316330811	362.466	TZIWFTURXQKZGN-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106175
c1(C(=O)NCCOC)cc2n(CC(NC(=O)CCC3CCCCC3)C2)n1	MCULE-3460438078	362.466	TZIWFTURXQKZGN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106176
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)CCC3CCCCC3)Cc12	EMOLS-id_316254709,MCULE-9033211711	362.466	AIJKIFMOQRWVAI-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106177
c1(NC(=O)CCC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NC	MCULE-8876825513,EMOLS-id_334328795	362.466	HWOGWZDCCYSRHR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106178
c1(NC(=O)CSc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	CoCoCo_2590331,EMOLS-id_16349233,MCULE-8867179697,PC-id_18586101,ChEMBL-DNDi_CHEMBLF2816-0203	362.466	ZCKKKAGJANWQMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106179
c1(NC(=O)CSc2ccccn2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6051832,PC-id_4424159,ZINC22_3139751,EMOLS-id_1963345,MCULE-7086137682,SPECS-id_AN-153/I106612,TIMTEC457926	362.466	SSPFMZYYQQYFSN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-106180
CN=C(NCc1nnc2n1CCC2)NCCCSc1ccc(cc1)F	PC-id_111020187	362.468	WAPCNRUGMQFLON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106201
c1(NC(=S)Nc2ccc(cc2C)O)sc2c(CCC2)c1C(=O)OC	MCULE-8430227663,ZINC22_17074610,EMOLS-id_4040271,PC-id_17255547,TIMTEC472634,CoCoCo_6823060	362.466	UCWIWGPWVSEXFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106181
c1(NC(=S)Nc2ccc(cc2O)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4040259,MCULE-4751656020,TIMTEC422228,ZINC22_17074609,CoCoCo_6823076,PC-id_17255563	362.466	REQJJOOEIURXRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106182
c1(NC(=S)Nc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	ZINC22_6296388,CoCoCo_6800624,PC-id_3301607,MCULE-3893995741,TIMTEC416491,EMOLS-id_4040277	362.466	QYFNBMVZKHEHSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106183
c1(NC(=S)Nc2cc(C)ccc2O)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4040279,PC-id_17255549,TIMTEC421212,MCULE-2262502838,CoCoCo_6823062,ZINC22_17074611	362.466	RDMOIIPKCGWYLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106184
c1(NC(=S)Nc2cccc(OC)c2)sc2c(CCC2)c1C(=O)OC	ZINC22_6297889,EMOLS-id_4040269,TIMTEC140972,CoCoCo_6800614,MCULE-6619753071,PC-id_3300689	362.466	FCYAFYCRLRAVEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106185
CC(C1CCN(CC1)C(=O)OC(C)(C)C)CC(=O)N1CCn2c1ncc2	EMOLS-id_279043877	362.466	NKSKADDPBQVZPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106186
COc1cc(C)c(C)cc1S(=O)(=O)Nc1sc2CCCc2c1C#N	MCULE-9816393073,EMOLS-id_322629189	362.466	ZJOBFCPMBVWTDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106187
O=C(NNC(=O)c1sc2c(c1)CCC2)CCCC(=O)c1cccs1	EMOLS-id_44065899,PC-id_32402850,CoCoCo_4682420,MCULE-5064151550	362.466	XPICQLBHZQSHET-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106188
s1c2CCCc2cc1C(=O)NN=C(c1ccc(S(=O)(=O)C)cc1)C	PC-id_78698524	362.466	JMQQXVIAGJXMJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106189
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(S(=O)(=O)C)cc1)/C	PC-id_8441233	362.466	JMQQXVIAGJXMJU-WQRHYEAKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106190
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C(=O)OCC)C#N	PC-id_78589063	362.466	BCBDUJCWKJWCJZ-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-106191
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)OCC)C#N	PC-id_7986347	362.466	UDQRJCKALCQACI-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-106192
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C(=O)OCC)C#N	PC-id_7986366	362.466	BCBDUJCWKJWCJZ-GFCCVEGCSA-O	00000010100010000000000010000000000000000000000000000000	25-01-106193
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C(=O)OCC)C#N	PC-id_7986378	362.466	BCBDUJCWKJWCJZ-LBPRGKRZSA-O	00000010100010000000000010000000000000000000000000000000	25-01-106194
s1c2c(CCC2)c(c1NC(=O)CSc1cc(OC)ccc1)C(=O)N	PC-id_35040898	362.466	CQGFZIRZMNHAAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106195
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC)cccc1)C(=O)OC	PC-id_20411198	362.466	SVHATJMZNQUUIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106196
S(=O)(=O)(NC1CC1)c1cc(NC(=O)c2sc3CCCc3c2)ccc1	PC-id_39698751	362.466	UWSCTCPZKQNZIY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-106197
O=C(OC(C)(C)C)CCC1CCCCN1C(=O)NC1CCn2c1ncc2	EMOLS-id_316654106	362.467	NUFUGBBNWGRQDY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106198
Cc1nn(C)c(C)c1CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3863327411,EMOLS-id_328219248	362.468	QMNOZXRVCXPIQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106199
CCS(=O)(=O)NC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100177976	362.468	UDLVNUFFVQHUTO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106200
CSCc1cc(F)ccc1CNC(=NC)NCc1nnc2n1CCC2	PC-id_109598880	362.468	BWJRTQIOKAPDFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106202
CS(=O)(=O)N1CCC(CC1)CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100194786	362.468	WJCGXRNSMKQPOR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106203
CS(=O)(=O)NC1CCCC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226134	362.468	UUCDEUNZFAEVPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106204
CS(=O)(=O)NCC1CCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201170	362.468	NVKMFTKLKLSJQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106205
CS(=O)(=O)NCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201068	362.468	DMSRHMWRMVBTFZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106206
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCn1ccnc1	MCULE-5284004515,EMOLS-id_328214142	362.468	GTTVFBLDHZGOCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106207
c1(NC(=S)Nc2nc(C)cc(C)n2)sc2c(CCC2)c1C(=O)OC	ZINC22_1120312,CoCoCo_6819361,TIMTEC571513,Chemmine_18565,EMOLS-id_2003525,ChEMBL-DNDi_CHEMBL7804103,MCULE-8619638373,PC-id_1297121	362.47	YJEHANGFOYBOGY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106208
CC1CN(CC(O1)C)CC1CCCN1C(=O)NCc1nnc2n1CCC2	EMOLS-id_98072887	362.47	QATDNWBEPKBTDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106209
CCC(C(=O)Nc1n[nH]c2c1CN(C2)N(C1CCCCC1)C(=O)N)CC	SCHEMBL12393367,PC-id_68257614	362.47	UIGZJOLGQHTNLL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106210
CCC(C(=O)Nc1n[nH]c2c1CN(C2)NC(=O)NC1CCCCC1)CC	SCHEMBL2924350,PC-id_10270035	362.47	HESPAINFIYTJTH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106211
CCCNC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C	PC-id_10428750,BindingDB_PC-id_10428750,CHEMBL603243	362.47	SMHOLGURUXBSTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106212
C[C@@H]1CN(CCN1C(=O)NC(c1nnc2n1CCC2)C)C1CCOCC1	EMOLS-id_100613681	362.47	AWWCTHGPTPBPHR-KWCCSABGSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106213
C[C@H]1CN(CCN1C(=O)NC(c1nnc2n1CCC2)C)C1CCOCC1	EMOLS-id_100613729	362.47	AWWCTHGPTPBPHR-LSLKUGRBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106214
N1(CC(CC1=O)C(=O)NCCc1sc2c(CCC2)n1)c1sccn1	EMOLS-id_330395391,MCULE-3981927467	362.47	FAPXUWGQRTXLLX-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-106215
O=C(NC1CCN(CC1)C1CCCCC1O)NCc1nnc2n1CCC2	EMOLS-id_99072680	362.47	QHPUZEQHIWBUFO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106216
O=C(NCCc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2nccs2)C1	ZINC22_1857716715	362.47	FAPXUWGQRTXLLX-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-106217
O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2nccs2)C1	ZINC22_1857716717	362.47	FAPXUWGQRTXLLX-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-106218
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CC2)ccn1)C(=O)N	PC-id_51308543	362.47	DERFVBACPLCWPE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-106219
s1c2c(CCC2)c(c1NC(=O)CSc1nc(cc(n1)C)C)C(=O)N	PC-id_4163703	362.47	ZVXOQEMGIFNANF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106220
CCCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-5653711425,EMOLS-id_335782299	362.473	XOKSQJSVJXLJGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106221
CC(C)c1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-8539449049,EMOLS-id_335784593	362.473	RBWOPJURBXGNPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106222
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(C(=O)N)(C)C	PC-id_120048287	362.473	OPHRPTGGZZZZLQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106223
CN=C(N1CCN(CC1)CCC(=O)N(C)C)NCc1nnc2n1CCC2	PC-id_120066163	362.473	JYZPCPGCBOJKTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106224
N#Cc1c(NC(=O)[C@H](Sc2nnnn2C(C)C)C)sc2c1CCC2	GD-id_ZINC28149001	362.473	RGZRJXFOOFKCKA-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106225
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)C(C)(C)C)C#N	PC-id_9381464	362.473	YFLIQDMWYMQLTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106226
c1(c2CCCc2sc1NC(=O)C1CCCO1)C(=O)NC1CCCCC1	PC-id_17173720,MCULE-1506571937,TIMTEC234116,EMOLS-id_13330226	362.486	JDBOEGXEVQFFCQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106227
c1(NC(=O)C2CCCC2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334336931,MCULE-1889708322	362.486	JYTPBKNAXIZJKM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106228
c1(NC(=O)CCCCCCCCC(=O)OC)sc2c(CCC2)c1C#N	MCULE-9769360080,EMOLS-id_322617184	362.486	GTQCOIMFGVBYPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106229
CC(OC(=O)c1c(C)cn2c1SCC2=CC(=O)NC1CCCCC1)C	PC-id_139819490	362.486	VVFIDHDROIJVLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106230
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	PC-id_42546188,CoCoCo_1069075,ZINC22_12343513	362.486	JDBOEGXEVQFFCQ-CQSZACIVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106231
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	ZINC22_12343512,CoCoCo_1069076,PC-id_42546187	362.486	JDBOEGXEVQFFCQ-AWEZNQCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106232
O=C(NC(C1CC1)(C)C)Nc1sc2c(c1C(=O)C1CCC1)C(OC2)C	SCHEMBL2162410,PC-id_24772220	362.486	CNHSYAAJHBXMSW-UHFFFAOYSA-N	00101010100000000000000010000000000000000000000000000000	25-01-106233
s1c(NC(=O)CN(C2CC2)CC2CC2)c(c2CCCc12)C(=O)OCC	PC-id_56495483	362.486	YLNDTSFQMZTLIT-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-106234
Cc1ccc(cc1)CNC(=O)c1sc2c(c1)CN(C2)Cc1ccccc1	ChEMBL-DNDi_CHEMBL1625426,PC-id_3602384	362.488	GRFRUNFNNJBBRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106235
CSc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-3103555346,EMOLS-id_328222579	362.488	OFNRCQFFXBRMKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106236
O=C(N(C(c1ccccn1)C)Cc1ccccc1)c1cc2c(s1)CCC2	PC-id_86897666	362.488	MICNFAAWZWUVBD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106237
s1c2c(CCC2)c(c1N)C(=O)N(Cc1ccccc1)Cc1ccccc1	PC-id_4778156	362.488	PYEFWLMBZUCSKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106238
CC1(C)CCc2sc(NC(=O)N3CCC(N4CCCC4=O)CC3)nc12	EMOLS-id_102002016,ZINC22_333593732	362.49	VMBFQMBCVPLXLX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106239
Cc1cc(cc(c1C)S(=O)(=O)NCc1nnc2CCCn12)C(C)(C)C	EMOLS-id_316211802,ZINC22_1506421431,MCULE-9833043012	362.49	PMNFHCBEQSNTBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106240
Cc1c(C)c(C)c(S(=O)(=O)N(C)Cc2nnc3n2CCC3)c(C)c1C	EMOLS-id_13461283,MCULE-8919257407,ZINC22_8707336,CoCoCo_4491304,PC-id_16588370	362.49	SGWFSVKIRPDVAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106241
O=C(C1CC1)NC1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000033	362.49	AAOKBPSOYZNPOT-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-106242
O=C(C1CCC(CC1)NC(=O)C1CC1)NCCc1cn2c(n1)SCC2	EMOLS-id_100216759	362.49	NKPZTAMGHYIMGF-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-106243
O=C(N1C(c2[nH]nc(NC(=O)CC(C)C)c2C1)(C)C)C1CC[NH+](CC1)C	PC-id_72199457	362.49	HUXYBQXJVXOMKX-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-106244
O=C(N1CCC(C1)C(=O)N1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009081	362.49	QNBQUDUWNVEHRC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106245
O=C(N1CCCN(CC1)C(=O)C1CC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007242	362.49	DFKLBSJDRJRUPM-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-106246
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)C(=O)C1CC1	EMOLS-id_102000039	362.49	MHPKZOOCJFJUQY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-106247
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)NC(C)(C)C)C)C#N	PC-id_36059769	362.49	ZFUSKFVZXBWRCH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106248
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)NC(C)C)CC)C#N	PC-id_51302744	362.49	AZPDPOMITSMRAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106249
s1c2c(CCC2)c(c1NC(=O)CN1CC(N2CCCC2)CC1)C(=O)N	PC-id_56449564	362.49	XNFBQZHVDQJEHN-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-106250
s1c2CCCc2c(c1NC(=O)CN(CC(=O)NC(C)(C)C)CC)C#N	PC-id_8796787	362.49	AJPWEFUAYHYRCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106251
CCC1CC(c2c1c(c(s2)CC(C)C)C(=O)c1cccs1)C(=O)O	SCHEMBL10744124,PC-id_70432629	362.506	APJANQNEFLHHJW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106252
CC(Cc1sc2c(c1C(=O)c1cccs1)CCC2CCC(=O)O)C	SCHEMBL10742593,PC-id_20213660	362.506	UNGJFJHWFNDGNX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106253
CCOC(=O)C1CCc2c1sc(c2C(=O)c1cccs1)CC(C)C	PC-id_13588830,SCHEMBL10744122	362.506	GUXDOABUDBOGGE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106254
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1C(C)CC2	BindingDB-id_43960,PC-id_24901571,CHEMBL374609,BindingDB_PC-id_24901571	362.509	LJDYPAZJOQSESE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106255
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)C2	BindingDB-id_43961,CHEMBL267361,PC-id_24901572,BindingDB_PC-id_24901572	362.509	PMKPDYRYHRNWDL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106256
s1c2c(CCC2)cc1C(=O)NCC(N1CCOCC1)c1sccc1	PC-id_51179357	362.509	OGNIPRREECAURO-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-106257
c12CN(Cc1nn(CC1CCCCC1)c2CN(C)C)C(=O)OC(C)(C)C	EMOLS-id_324350567,MCULE-4632613917	362.51	YSNSABXWMWQLJT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106258
c1(NC(=O)CC2(CCSCC2)n2cccc2)n(C)nc2CSCc12	STOCK7S-55867,EMOLS-id_93423365,MCULE-5059597510,ZINC22_263588466,PC-id_121239967	362.513	UJYTXJAKQBILBP-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-106259
Cc1nc(SC2CCCC2)sc1CC(=O)N[C@@H]1Cc2cncn2C1	ZINC22_857884235	362.513	FLBQETLVJMXBGR-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106260
Cc1nc(SC2CCCC2)sc1CC(=O)N[C@H]1Cc2cncn2C1	ZINC22_857884236	362.513	FLBQETLVJMXBGR-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106261
CCNC(=NCc1nnc2n1CCC2)NC1CC(C1(CC)CC)OCC	PC-id_109390550	362.513	FSVDHEXGUIUOCP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-106262
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCC1)CCOCC	PC-id_109782150	362.513	DFGVKBYBOQUJIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106263
CCNC(=NCc1nnc2n1CCC2)NCC1CCCOC1C(C)(C)C	PC-id_111622756	362.513	NYHIVNKDFNOQHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106264
CN(CCNC(=O)N1Cc2c(C1(C)C)n[nH]c2CC1CCCN(C1)C)C	PC-id_145111616	362.513	JUAULJPFRRTJLH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106265
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330846,MCULE-3420217018	362.529	VCQNVEIKEFIUGW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106266
O=C(CC(C)(C)C)Nc1sc2c(c1C(=O)NCC1CC1)C(CC2)(C)C	BindingDB_PC-id_71452368,PC-id_71452368	362.529	YLVMXWNZELVYJA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-106267
C[C@@H]1CC[N@H+](CC1)Cc1cs/c(=NC(=O)c2sc3c(c2)CCC3)/[nH]1	GD-id_ZINC49643483,PC-id_41143236	362.533	UFAQYZXRXLTLNY-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-106268
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)C1CCCC1	EMOLS-id_102003711	362.533	JROWMEAEBGPSHF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106269
COCCN(c1cc2c(s1)C(=CC2(C)C)SC/C=C(/C#N)CC)C	PC-id_145445324	362.553	WFXIUJOJBJDHFM-VGOFMYFVSA-N	00000011100000000000000010000000000000000000000000000000	25-01-106270
n12c(=O)c(=Cc3ccc(cc3)O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5777879477	362.619	HTGUGMDJRPKCNI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106271
n12c(=O)c(=Cc3cccc(O)c3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-2831519817	362.619	IOHNIKNDVXZZIO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106272
Oc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324909071	362.619	HTGUGMDJRPKCNI-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106273
Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324913154	362.619	IOHNIKNDVXZZIO-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106274
c1(NC(=O)c2c(Cl)ccc(Cl)c2Cl)n(C)nc2CSCc12	EMOLS-id_334563775,MCULE-3109288563	362.662	FVUOKDMBKNBLFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106275
Brc1ccc(s1)CCNC1CCc2c1cc(s2)Cl	PC-id_106043022	362.736	QRYUONYCZGYEHW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106276
Brc1sc(C(NC)c2sc3c(CCC3)c2)cc1Cl	PC-id_80531135	362.736	RBUDKZQUDPPTPA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106277
Clc1sc(cc1Br)CNCc1sc2c(c1)CCC2	PC-id_113742701	362.736	NXIOCQXEHDTDKE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106278
CNC(c1sc(c(c1)Br)Cl)c1sc2c(c1)CCC2	PC-id_102828194	362.736	QWHJWOOIZCFLFD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106279
FC(F)(F)c1cccc(CNC(=O)C2COc3ncsc23)c1Cl	PC-id_78318422,SCHEMBL15903640,BindingDB_PC-id_78318422,BindingDB-id_412894	362.755	JYLMXYYAJLKPAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106280
FC(F)(F)c1c(Cl)cccc1CNC(=O)C1COc2ncsc12	PC-id_78318421,BindingDB_PC-id_78318421,BindingDB-id_412895,SCHEMBL15903956	362.755	LMCZKNIJYGJACJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106281
ClC(=O)N1Cc2c(C1(C)C)nn(c2NC(=O)c1ccccc1)C(=O)O	PC-id_143492501	362.768	JAELHBXOEANUKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106282
Cc1c(n2CCCc2c1C(=O)C(=O)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134599112,SCHEMBL20253019	362.783	NOGJZLDQTRTMFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106283
Clc1ccc(c(c1)NC(=O)N1CCn2c1ncc2)OCC1CCCO1	MCULE-6472697899,EMOLS-id_320320261	362.811	QVJSVHJGBSKLCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106284
CCNC(=O)N1Cc2c(C1)n[nH]c2NC(=O)NCc1ccc(cc1)Cl	SCHEMBL2920302,PC-id_68441233	362.814	KNIXKMPBYGBOME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106285
Fc1cccc(Cl)c1CN(C1CC1)C(=O)NCc1n[nH]c2CCCc12	PC-id_121497660,MCULE-7414177650,ZINC22_426412290,EMOLS-id_177384566	362.829	NASIWVDKRJBQRP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106286
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1c(F)cccc1Cl	EMOLS-id_98332398	362.829	PZJDLUVDAIJZQW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-106287
CCCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960012	362.832	ASVNTJZKFGHRNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106288
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1CCl	MCULE-2507122233,EMOLS-id_331011504	362.851	XIWUGHIJFPGALV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106289
Clc1cccc(c1)N1CCN(CC1)CCn1c(=O)n2c(c1O)CCC2	PC-id_54355682,BindingDB_PC-id_54355682	362.854	UIXZAOYKUAJCAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106290
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1Cl)OC	PC-id_112393990	362.857	NVNWMMZUCJRVJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106291
CN=C(NCc1nnc2n1CCC2)NCC(Oc1ccc(cc1)Cl)C	PC-id_111510275	362.857	OYEWCOFISZTGPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106292
CN=C(N(CCOc1ccc(cc1)Cl)C)NCc1nnc2n1CCC2	PC-id_111308364	362.857	VESNPEZAUGYTDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106293
CCc1sc2c(c1C(=O)c1ccc(cc1)Cl)CCC2CCC(=O)O	SCHEMBL10740858,PC-id_20213615	362.87	RFHONOLFRKMXQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106294
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-3062946339,EMOLS-id_334332112	362.874	CVFMAVKEBDVFKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106295
c1(NC(=O)CCCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348453,MCULE-4818464029,PC-id_84418170	362.874	ZFGBEEWIJFFONP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106296
Clc1cc(CCC(=O)NNC(=O)c2sc3CCCc3c2)ccc1C	PC-id_24559702	362.874	LRIKOAIUMYFILS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106297
Clc1sc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_8474097	362.875	IEHKSAOKDSIACZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106298
c12SCCn1cc(CNC(=O)c1ccc(c(Cl)c1)N1CCCC1)n2	EMOLS-id_232902578,MCULE-8549774639,ZINC22_828152537	362.877	VZJVAVYHTDBIMQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106299
c12SCCn1cc(CNC(=O)N1CCC(c3ccccc3Cl)C1)n2	MCULE-7898388991,PC-id_119062579,EMOLS-id_82710605	362.877	FUAZYEKRLJUGBM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106300
Clc1ccc(c(c1)NC(=O)c1n[nH]c2c1CCC2)N1CCSCC1	EMOLS-id_99118713	362.877	IVRRBFYFFZYSEY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106301
Clc1ccc(nc1)N1CCC(CC1)C(=O)Nc1sc2c(n1)CCC2	GD-id_ZINC32628292	362.877	XEEKAWVLJXVFRS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-106302
O=C(NCc1cn2c(n1)SCC2)N1CC[C@@H](c2ccccc2Cl)C1	ZINC22_426429737	362.877	FUAZYEKRLJUGBM-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106303
O=C(NCc1cn2c(n1)SCC2)N1CC[C@H](c2ccccc2Cl)C1	ZINC22_426429739	362.877	FUAZYEKRLJUGBM-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106304
c1(NC(=O)CCSc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322614882,PC-id_112763448,MCULE-8045982713	362.897	YWLWKEABYAMDQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106305
Clc1ccc(CSCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_16523756	362.897	TUCXUZZXEMEAIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106306
N#Cc1c(NC(=O)CCSc2ccccc2Cl)sc2c1CCC2	PC-id_112763447	362.897	KKEZSLMDLWNNTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106307
c12SCCn1cc(CNC1CCN(CC1)c1ccc(c(Cl)c1)C)n2	ZINC22_952970405,EMOLS-id_289996434,MCULE-7106118270	362.92	RSMKECVPURUAJD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106308
CC1(C2=C(CN1C(=O)OC(C)(C)C)C(=NN2)I)C	PC-id_154929988	363.044	LSEBKVSLJSKJLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106309
Brc1sc(Br)c2CN(Cc12)Cc1[nH]cnc1	PC-id_15228197,SCHEMBL9408059	363.072	RLSPWTCIAZTRAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106310
Brc1cc(Cl)c(NC2CCc3sc(Cl)cc23)cc1	PC-id_81251718	363.1	MSNBSIUFSZQPAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106311
Brc1cc(NC2CCc3sc(Cl)cc23)ccc1Cl	PC-id_81252715	363.1	OEJCHUKNNZPTQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106312
Brc1cc(NC2CCc3sc(Cl)cc23)c(Cl)cc1	PC-id_81251858	363.1	ZXOZDIBYGVHKQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106313
Brc1c(NC2CCc3sc(Cl)cc23)ccc(Cl)c1	PC-id_81263633	363.1	GZLWSLHIUNAORX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106314
Brc1c(NC2CCc3sc(Cl)cc23)cc(Cl)cc1	PC-id_81264369	363.1	OUJBVRJVRDNPSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106315
C1C2=C(CN1S(=O)(=O)N)NN=C2C(CC(=O)C3=CC=CC=C3)C(=O)N	PC-id_153863878	363.1	CRNOGIXBTVUQKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106316
Clc1cc2c(s1)CCC2Nc1cccc(c1Br)Cl	PC-id_103478164	363.1	JNGVTAPADPOWHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106317
Clc1sc2c(c1)C(CC2)Nc1ccc(c(c1)Cl)Br	PC-id_113981793	363.1	YHCWLWAZYBLLLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106318
C1=CC=C(C=C1)OCCC2=C(SC3=C2C(=CC4=CC=CN4)C=N3)C(=O)N	PC-id_154511384	363.104	NSIFFDHMOWPJEH-UHFFFAOYSA-N	00000011110000110000000010000000000000000000000000000000	25-01-106319
CN(C1CCN(CC1)CC2=NC3=C(S2)CCC3)C4=NC=C(C=N4)Cl	MCULE-4446380899,EMOLS-id_330978849,PC-id_155981064,ZINC22_1849479537	363.128	JQURBFAHURJOCX-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-106320
c1c(sc2c1C(=C(C#N)C#N)C(C2=C(C#N)C#N)(F)F)Br	PC-id_88562295,SCHEMBL10073362	363.14	SIVQGUUGNYDMED-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106321
[C-]#[N+]C(=C1c2c(C(=C(C#N)[N+]#[C-])C1(F)F)sc(c2)Br)C#N	PC-id_88557079	363.14	BEMMNHWEFIUASF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106322
[C-]#[N+]/C(=C
/c2sc(cc2/C(=C(/[N+]#[C-])C#N)/C1(F)F)Br)/C#N	SCHEMBL10046709	363.14	BEMMNHWEFIUASF-DEFDFUCDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106323
CC1=C(C=CC(=N1)C2=CC=C(C=C2)C(=O)NCC3CC4=NN=C(N4C3)C)O	PC-id_164692577,MCULE-8488493465	363.17	ULHYEWHYORTJKM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-106324
BrCCCc1cccc(c1)NC(=O)c1sc2c(c1)CCC2	PC-id_104307476	364.3	ZJVOCCWVVVQCET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106880
CCC1=NC=C(C=N1)NC(=O)NC2=CC=C(C=C2)CC3=NN=C4N3CCC4	MCULE-7466801592,EMOLS-id_317285825,PC-id_154754410	363.181	XJJVHBIOWXTYAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106325
c12CN(Cc1nn(CC)c2I)C(=O)OC(C)(C)C	EMOLS-id_324342117,MCULE-5766390245	363.195	NYWLUMVZIDFAMC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106326
c12CN(Cc1nn(C(C)(C)C)c2I)C(=O)OCC	EMOLS-id_324341861,MCULE-4805407323	363.195	AQHVJPMYCBOJCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106327
CC1CCc2c1c(nn2Cc1ccccc1I)C#N	MCULE-9115080701,EMOLS-id_331019001	363.196	KBMZIBWXABFRFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106328
CC1CCc2c1c(nn2Cc1cccc(I)c1)C#N	EMOLS-id_331018745,MCULE-6248441040	363.196	WRTBMSOAGUUXEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106329
CC1CCc2c1c(nn2Cc1ccc(I)cc1)C#N	MCULE-4728821378,EMOLS-id_331018489	363.196	CJPOVAGOPHFXKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106330
CC1CCc2nn(Cc3ccccc3I)c(C#N)c12	MCULE-5850839416,EMOLS-id_331003827	363.196	SARBIGGETUSPGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106331
CC1CCc2nn(Cc3cccc(I)c3)c(C#N)c12	EMOLS-id_331003571,MCULE-7627822202	363.196	QEKXYWRTTXXGBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106332
CC1CCc2nn(Cc3ccc(I)cc3)c(C#N)c12	EMOLS-id_331003315,MCULE-8925141001	363.196	RQKWNHXHQSKMFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106333
CC1CCc2c1c(CCl)nn2Cc1ccc(cc1Cl)C(F)(F)F	EMOLS-id_331022606,MCULE-4981389461	363.205	UQVJQMDOYIGWSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106334
CC1CCc2c1c(CCl)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	MCULE-5399266482,EMOLS-id_331025166	363.205	QLOZCLAOYFFPAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106335
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(CCl)c12	MCULE-7707777780,EMOLS-id_331006648	363.205	XGFFXNUAKMMNJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106336
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(CCl)c12	MCULE-7221783718,EMOLS-id_331009208	363.205	PDEKQQOMGHJMED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106337
Brc1cc(C=NNC(=O)c2n[nH]c3CCCc23)ccc1OC	PC-id_3828974	363.209	GOSPHRKONQZSLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106338
Brc1cc(C=NNC(=O)c2n[nH]c3CCCc23)c(OC)cc1	PC-id_2040179	363.209	YMLHVJCTSOXTNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106339
NC(=O)C(c1cccc(c1)Br)NC(=O)c1cnn2c1CCC2	PC-id_121860301,MCULE-4249154114,EMOLS-id_72432622	363.209	IYDUYXZNHAEYBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106340
c1(cccc(Br)c1O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5571558949,EMOLS-id_328219493	363.229	CDFOZFQSZZSROV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106341
Brc1cc(CC(=O)Nc2nc3SCCn3c2C#N)ccc1	PC-id_60323819	363.232	IYRKWTSAGVMFHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106342
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(Br)c2)C)n1	EMOLS-id_330989815,MCULE-6663238179	363.249	ALESSZCTGJOYLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106343
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2Br)C)n1	EMOLS-id_330991607,MCULE-6518389563	363.249	UJTPBAWKFKPKFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106344
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2C)Br)n1	MCULE-4910291876,EMOLS-id_330992630	363.249	MLFNRENXXVYMLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106345
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)cc(Br)c2)n1	EMOLS-id_330990071,MCULE-4901589656	363.249	DMXWNXIWKRKXNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106346
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(C)ccc2Br)n1	EMOLS-id_330991863,MCULE-4060835401	363.249	LCIGPPPFNFZYHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106347
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(C)c2)Br)n1	EMOLS-id_330992886,MCULE-9896167059	363.249	CHXRMZRUODQXOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106348
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(C)c2Br)n1	MCULE-4924416293,EMOLS-id_330992119	363.249	RQSQSZZQJFODLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106349
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)C	EMOLS-id_330975666,MCULE-6668644753	363.249	ODLICKHOOTUGQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106350
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1Br)C	MCULE-2379470729,EMOLS-id_330973363	363.249	JLAMRNKYDDPHGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106351
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1C)Br	MCULE-3494587943,EMOLS-id_330974386	363.249	JFEQAFGMAPLBBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106352
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)cc(Br)c1	MCULE-6794147063,EMOLS-id_330975922	363.249	OSWNZMSSWIVVEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106353
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(C)ccc1Br	EMOLS-id_330973619,MCULE-7843759464	363.249	QAAJAUDROCOEOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106354
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(C)c1Br	EMOLS-id_330973875,MCULE-3765822835	363.249	RZPUKPIAGDNBJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106355
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)Br	MCULE-8081247802,EMOLS-id_330974642	363.249	UBHREVPSLBRAEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106356
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(Br)c2)n1	MCULE-5163372656,EMOLS-id_330994685	363.249	HUWURFQSUQSCCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106357
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2Br)n1	EMOLS-id_330996477,MCULE-5658656986	363.249	IJTVRHWAQNAANN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106358
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)Br)n1	EMOLS-id_330997500,MCULE-1577272748	363.249	OTUZNAHNOGAVPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106359
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(Br)c1	EMOLS-id_330979512,MCULE-1785387048	363.249	YYKSHUCWYDSSAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106360
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)Br	EMOLS-id_330978232,MCULE-1812244156	363.249	PIHHUWWZNCUZJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106361
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1Br	EMOLS-id_330981304,MCULE-5054090847	363.249	CVMVHSUIRDINEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106362
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1Br	EMOLS-id_331020704,MCULE-2021191883	363.249	NSWDJAQJDRDCPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106363
CN(C(c1cccc(c1)Br)C(=O)N)Cc1cnc2n1CCC2	EMOLS-id_318068152	363.252	WEIDZTQPIFQQAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106364
O=C(NC1CC(n2c1ncc2)C)Nc1c(C)cc(cc1Br)C	EMOLS-id_101482706	363.252	AFWJMPZIEPNVBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106365
O=C(NC1CC(n2c1ncc2)C)Nc1cc(C)c(c(c1)C)Br	EMOLS-id_101430123	363.252	LCQTYKOWTAXXTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106366
Brc1scnc1CS(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316613709	363.254	FNOCNLSTOFRVJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106367
c1(C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2CCCc2[nH]n1	EMOLS-id_335115671,MCULE-1852541729	363.258	CFKATMORZSFERA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106368
ICCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_107322143	363.258	LLLYARNDUFPMMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106369
ICC(C(C)C)NC(=O)c1sc2c(c1)CCC2	PC-id_107859805	363.258	XLWGQDXLCJZIIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106370
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	MCULE-4827800113,PC-id_3602410	363.261	TYXQGVSQEXNKQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106371
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	PC-id_72176424,MCULE-1532897032	363.261	GWXGMICLMJDVOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106372
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1Cl	TIMTEC182056,EMOLS-id_46454864,ZINC22_2763138,CoCoCo_6817262,PC-id_17285331	363.261	GWXGMICLMJDVOL-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106373
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)c(Cl)c1	GD-id_ZINC04551276,EMOLS-id_46347038,SPECS-id_AN-153/I284593,CoCoCo_5954197,ZINC22_4551276,PC-id_5872422	363.261	TYXQGVSQEXNKQC-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106374
N#Cc1c(NC(=O)/C=Cc2ccc(cc2Cl)Cl)sc2c1CCC2	CoCoCo_5954198	363.261	TYXQGVSQEXNKQC-ALCCZGGFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106375
N#Cc1c(NC(=O)/C=Cc2ccc(c(c2)Cl)Cl)sc2c1CCC2	CoCoCo_6817263	363.261	GWXGMICLMJDVOL-ALCCZGGFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106376
CC1Cc2c(C1(F)F)n(nc2C(F)F)CC(=O)ON1C(=O)CCC1=O	PC-id_134186325	363.264	IXLGVYQNHWFZSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106377
O=C(Cn1nc(c2c1C(F)(F)[C@@H](C2)C)C(F)F)ON1C(=O)CCC1=O	SCHEMBL19788931	363.264	IXLGVYQNHWFZSW-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106378
O=C(Nc1nc2c(s1)CCC2)C1(c2ccc(Br)cc2)CC1	EMOLS-id_36627794,MCULE-8409902761,PC-id_53536561,ZINC22_41907092,GD-id_ZINC41907092	363.272	PJWUXXZORSWKDX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-106379
Clc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)cnc1Cl	PC-id_64608404	363.283	OVWVMIHXMLJRLP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-106380
Clc1sc2CCC(Nc3cc(S(=O)(=O)N)ccc3Cl)c2c1	PC-id_81234001	363.283	IRFAMVBBYOCYPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106381
Clc1sc(Cl)c2CCC(OC(=O)C3=C(NC(=S)NC3)C)c12	SCHEMBL5794962,PC-id_16078609	363.283	UQDHYFILWYIXGY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-106382
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331020960,MCULE-3069091808	363.292	QGTWHVZZWAFJPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106383
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331021472,MCULE-5403043037	363.292	GMKBNFRIYIAEHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106384
CCCOc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1	EMOLS-id_331013562,MCULE-3486874935	363.292	VLABEPDJDZYZOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106385
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1	EMOLS-id_331013818,MCULE-3861823484	363.292	TULQXUPXEOGOQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106386
CCCOc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1	EMOLS-id_331030529,MCULE-7254006719	363.292	KAIYKPQZPLMWQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106387
CC(C)Oc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1	EMOLS-id_331030785,MCULE-5821731252	363.292	UQIXQPJXOATTJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106388
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016882,MCULE-8416615193	363.292	JQVYCPUNTHRZRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106389
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1CBr	MCULE-3130793953,EMOLS-id_331018164	363.292	IVBGCTDVGSKSFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106390
CCOc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1C	MCULE-1920578954,EMOLS-id_331010235	363.292	JKDSUQQMRBAEPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106391
CCOc1ccc(Cn2nc3CCC(C)c3c2CBr)c(C)c1	EMOLS-id_331012282,MCULE-6516085261	363.292	ZWCFIQDCRPIFOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106392
CCOc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1C	MCULE-4287060135,EMOLS-id_331031297	363.292	SDUOASGCUBFFDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106393
CCOc1ccc(Cn2nc(CBr)c3C(C)CCc23)c(C)c1	EMOLS-id_331033344,MCULE-4237460017	363.292	HTGSUWBMGXALKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106394
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015346,MCULE-1969826333	363.292	JVVKPRKGWIXGJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106395
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331020196,MCULE-9601993275	363.292	SFVJESVVMBYIEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106396
COc1cc(C)c(Cn2nc3CCC(C)c3c2CBr)cc1C	EMOLS-id_331013306,MCULE-6032620148	363.292	SEJQPAQLDKAMCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106397
COc1c(C)cc(Cn2nc3CCC(C)c3c2CBr)cc1C	EMOLS-id_331014074,MCULE-5888252346	363.292	UTPIJNFAGFZBJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106398
COc1ccc(C(C)n2nc3CCC(C)c3c2CBr)c(C)c1	EMOLS-id_331015602,MCULE-8720845065	363.292	UDYFVENXRHQXKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106399
COc1c(C)cc(Cn2nc(CBr)c3C(C)CCc23)cc1C	EMOLS-id_331031041,MCULE-8160943303	363.292	SGYPMLURYCXSRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106400
COc1cc(C)c(Cn2nc(CBr)c3C(C)CCc23)cc1C	EMOLS-id_331034368,MCULE-2547518796	363.292	WBMAWVMIYRNQSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106401
COc1ccc(Cn2nc3CCC(C)c3c2CBr)c(C)c1C	EMOLS-id_331013050,MCULE-7402317524	363.292	ZINBPDOWYMTRQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106402
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)c(C)c1C	MCULE-5399349742,EMOLS-id_331034112	363.292	HTZXVQLVBINNDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106403
OCC1c2[nH]ncc2[C@H](N1S(=O)(=O)c1ccc(cc1)C(F)(F)F)O	PC-id_145523847	363.312	MGLHHTFUAGSCKW-TVKKRMFBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106404
n12ncnc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O	MCULE-3808311940	363.314	KKGHBTUKLKEPIX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-106405
Brc1cc(ccc1C)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_105402392	363.315	NFBFHEIAFOOZTJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106406
Brc1c(cc([C@@H](NC2CC2)c2sc3c(n2)CCC3)cc1)C	PC-id_66479013	363.315	NJRGYELWVOGWPE-MRXNPFEDSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106407
Brc1c(cc(C(NC2CC2)c2sc3c(n2)CCC3)cc1)C	PC-id_66479012	363.315	NJRGYELWVOGWPE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106408
Brc1c(C(NC2CC2)c2sc3c(n2)CCC3)ccc(c1)C	PC-id_81793065	363.315	QTQLOPZMSQGFQZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106409
CCOC(=O)Cn1nc2c(c1C(F)(F)F)CN(C2)C(=O)OC(C)(C)C	PC-id_71185278,SCHEMBL14484942	363.332	ZZCYQMRXBPJRMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106410
CCOC(=O)Cn1nc(c2c1CCN2C(=O)OC(C)(C)C)C(F)(F)F	SCHEMBL14555784,PC-id_71204595	363.332	PAZCJBOLTBHPEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106411
CCOC(=O)Cn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(F)(F)F	PC-id_71186869,SCHEMBL14487580	363.332	CKBDLXGNTKSJFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106412
Cc1c(nc2n1CC(O2)COc1ccc(cc1)C1(CC1)C(F)(F)F)C#N	PC-id_86342474	363.334	YVVXWZIWKCXDIA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-106413
c1(Nc2ccc(cc2N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)OC	ZINC22_5334922,EMOLS-id_3758431,SPECS-id_AT-084/J158802,SPECS-id_AN-153/I120922,PC-id_3989586,MCULE-6978306277,CoCoCo_5855136	363.345	KMIIQDMCLSJZMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106414
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_89236519,SCHEMBL14054952	363.345	QVSAEMFOFSXPLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106415
c1(NC(=O)c2cc(cc(c2C)N(=O)=O)N(=O)=O)n(C)nc2CSCc12	EMOLS-id_334568881,MCULE-1661012159	363.349	PNBQPVVYJBIQAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106416
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)n(C)nc2CSCc12	MCULE-7606783826,EMOLS-id_334566834	363.349	NKFPJLRDKCFJST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106417
BrC(c1sc2c(CCC2)c1)c1c(c(c(c(c1C)C)C)C)C	PC-id_63437822	363.355	ZDKMUXGSUAIHAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106418
BrC(c1sc2c(CCC2)c1)c1ccc(C(CC)(C)C)cc1	PC-id_66258436	363.355	SMFPFNOGDKEWNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106419
FC(c1nn(c2c1CCC2)CCCNS(=O)(=O)c1c[nH]nc1)(F)F	PC-id_58267481,SCHEMBL12666728	363.359	YWLALJHGYNWWJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106420
COc1c(c(c(c(c1)Nc1c(n2CCCn2c1=O)N)NCC=O)OC)O	PC-id_90866010	363.368	FVYBIFJQBJNOGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106421
COC1C(=NCCO)C(=Nc2c(n3CCCn3c2=O)N)C=C(C1=O)OC	PC-id_91144862	363.368	GNXFWSIHUSBGNQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-106422
O=c1n2n(CCC2)c(N)c1/N=C
/C(=C(OC)C(=O)C(=C1)OC)NCCO	PC-id_57578020,SCHEMBL3856425	363.368	XDDDPDXUHDNEJC-DJKKODMXSA-N	00000010100011000001000010000000000000000000000000000000	25-01-106423
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)Oc1ccccc1)C	STOCK6S-45866,EMOLS-id_17098775,MCULE-6543160526,PC-id_135635945	363.37	BXCSQPNEVJPPQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106424
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Oc3ccccc3)cc1)C(=O)N2	PC-id_135924941,ZINC22_13689673	363.37	BXCSQPNEVJPPQO-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106425
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Oc3ccccc3)cc1)C(=O)N2	ZINC22_13689675,PC-id_135924942	363.37	BXCSQPNEVJPPQO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106426
[nH]1nc(c2c1CN(C2)C(=O)c1ccccn1)NC(=O)c1ccc(cc1)OC	CHEMBL1171937,PC-id_49798164	363.37	CGUXAYAMWPHFIE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106427
O=C(c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1)c1ccccc1	PC-id_24590564	363.37	GTPPSVHKOOWCPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106428
O=C(c1oc2c(n1)CN(C2)C(=O)c1cccnc1)NCCc1ccncc1	PC-id_97525796	363.37	RMWFMOLTENEFPR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-106429
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1O)Nc1ccccc1	PC-id_68441499,SCHEMBL2921122	363.37	YAICHCXRNIIXEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106430
O=C(NCCc1cccnc1)c1nc2CN(Cc2o1)C(=O)c1cccnc1	PC-id_97525792,ZINC22_96266030,EMOLS-id_44379892	363.37	DGCIBIMGAKNHRB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-106431
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1ccncn1	EMOLS-id_316319549,MCULE-5355954638	363.373	XVBANWYZUKXTMU-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-106432
O=C(c1ccncn1)NC1Cc2n(C1)ncc2C(=O)NCc1cccnc1	MCULE-9142570767	363.373	XVBANWYZUKXTMU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-106433
C1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268955	363.377	PHSMJVDCFFZVGK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106434
c1(O)c(O)cc(cc1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-3958910095,EMOLS-id_327809274	363.385	DBWWQOSEVLOJBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106435
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccco1)CCC2(C)C(=O)O	SCHEMBL10818168,PC-id_70450687	363.385	LQXZWYTZUJMWIQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-106436
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccco1)CCC2C(=O)OC	SCHEMBL10818369,PC-id_70450756	363.385	USEOQMVRPSJXSO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-106437
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1cocc1)CCC2C(=O)OC	PC-id_70450979,SCHEMBL10818957	363.385	SWWRAPKVFMGBRL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-106438
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)OC	PC-id_20405092,SCHEMBL11004974	363.385	MVHAUZLVETYVBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106439
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1occc1)C(=O)OCC	PC-id_2694717	363.385	LYRNMIVCFDLEPW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-106440
S(=O)(=O)(c1n2c(CCC2)c(c1C(=O)OC)C(=O)OC)c1ccccc1	PC-id_14669084	363.385	JWICZGFYCCXBSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106441
Cc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_31835558,MCULE-9973133307,PC-id_4015598,ZINC22_5196422	363.388	NANNKWGOWYXSJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106442
Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCC3)c(=O)n(C)c1=O	ZINC22_7006659,PC-id_3497599,EMOLS-id_3485321,MCULE-4886182367,CoCoCo_2840986	363.388	CSEWTSWLLVUGSE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106443
COc1cc(OC)nc(NC(=O)COC(=O)c2cc3c(s2)CCC3)n1	ZINC22_10620897,EMOLS-id_24961897,PC-id_41583100,MCULE-2942167339,CoCoCo_4441239	363.388	DJDPOXNQJPCXRZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106444
COCc1nc2s/c(=Cc3cc(OC)c(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324899842	363.388	ODRZQEZSPGEIQN-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106445
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)COC	MCULE-5685882510	363.388	ODRZQEZSPGEIQN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106446
O=C(O)CCC(=O)c1cccc(NS(=O)(=O)c2cnc3n2CCC3)c1	ZINC22_437678113,EMOLS-id_316897358,MCULE-9094744100	363.388	AOLNGQAYHLYIIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106447
s1c2c(CCC2)c(c1NC(=O)c1cn(nc1)CCC(=O)O)C(=O)OC	PC-id_19471148	363.388	HPNSCQZUVZADHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106448
s1c2c(CCC2)c(c1NC(=O)c1cn(nc1)C(C)C(=O)O)C(=O)OC	PC-id_19502926	363.388	GLKWGPKUGYFBEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106449
s1c2c(CCC2)c(c1NC(=O)c1n(ncc1)C(C)C(=O)O)C(=O)OC	PC-id_19485882	363.388	SDQXQPKWGSAPEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106450
s1c2c(CCC2)c(c1NC(=O)c1n(ncc1)CCC(=O)O)C(=O)OC	PC-id_19490021	363.388	VWPKSGDEPGBTTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106451
s1c2c(CCC2)c(c1NC(=O)c1nn(C(C)C(=O)O)cc1)C(=O)OC	PC-id_19504092	363.388	UEKABBQZYSDDRL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106452
s1c2c(CCC2)c(c1NC(=O)c1nn(CCC(=O)O)cc1)C(=O)OC	PC-id_19506491	363.388	YRDYCLXOGAZQSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106453
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)C)C(=O)NC(=O)OCC	PC-id_16953775	363.388	JTSZQGSEFVSSEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106454
s1c2c(CCC2)c(c1NC(=O)c1onc(c1)C)C(=O)NC(=O)OCC	PC-id_16879905	363.388	DNCHTENVKLGVKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106455
s1c2c(CCC2)c(c1NC(=O)CCn1nc(cc1)C(=O)O)C(=O)OC	PC-id_19470581	363.388	CBWYVOHHCXMOFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106456
s1c2c(CCC2)c(c1NC(=O)CCn1ncc(c1)C(=O)O)C(=O)OC	PC-id_19482929	363.388	AMHYNYVLKNLKMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106457
s1c2c(CCC2)c(c1NC(=O)CCn1nccc1C(=O)O)C(=O)OC	PC-id_19492084	363.388	WSYVZRCHWBYMOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106458
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1onc(c1)C)C)C(=O)N	PC-id_9383691	363.388	QATRMWFVZUBOFA-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106459
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1onc(c1)C)C)C(=O)N	PC-id_9383692	363.388	QATRMWFVZUBOFA-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106460
s1c2c(CCC2)c(c1NC(=O)C(n1nccc1C(=O)O)C)C(=O)OC	PC-id_19487953	363.388	KXGWBNNAIPPJOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106461
s1c2c(CCC2)c(c1NC(=O)C(n1nc(cc1)C(=O)O)C)C(=O)OC	PC-id_19504492	363.388	UWJRTXIULWXKMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106462
s1c2c(CCC2)c(c1NC(=O)C(n1ncc(c1)C(=O)O)C)C(=O)OC	PC-id_19504925	363.388	KPNZPINQBZEIBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106463
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1onc(c1)C)C)C(=O)N	PC-id_84997286	363.388	QATRMWFVZUBOFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106464
c1(C#N)c2CCCc2sc1/N=C/c1ccc(c2ccc(cc2)N(=O)=O)o1	CoCoCo_1948864,TIMTEC605411,MCULE-9998153030,ZINC22_1064206,EMOLS-id_26818065,PC-id_9600615	363.39	ZVEYUWYAFGLYKZ-SRZZPIQSSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106465
c1(C#N)c2CCCc2sc1N=Cc1ccc(c2cccc(c2)N(=O)=O)o1	PC-id_1079648,MCULE-6342086932	363.39	CSZRJTODGPUULV-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106466
c1(C#N)c2CCCc2sc1N=Cc1ccc(c2ccc(cc2)N(=O)=O)o1	PC-id_1253637,MCULE-7612767100	363.39	ZVEYUWYAFGLYKZ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106467
CCOC(=O)n1nc(c2c1C(C)(C)NC2)Nc1nc(NCC)ncc1F	SCHEMBL3324687,PC-id_59333974	363.39	LIMQLEQSIXTSRH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106468
N#Cc1c(/N=C/c2ccc(c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2	BAS-00261995,CoCoCo_25105,EMOLS-id_25775563,ZINC22_793806,PC-id_9590188	363.39	CSZRJTODGPUULV-SRZZPIQSSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106469
N#Cc1c(/N=Cc2ccc(o2)c2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_1948865	363.39	ZVEYUWYAFGLYKZ-NHDPSOOVSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106470
N#Cc1c(/N=Cc2ccc(o2)c2cccc(c2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_25106	363.39	CSZRJTODGPUULV-NHDPSOOVSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106471
s1c2CCCc2c(c1/N=C/c1oc(c2c([N+](=O)[O-])cccc2)cc1)C#N	PC-id_50885708	363.39	DKSSBQTVNHAHKY-SRZZPIQSSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106472
s1c2CCCc2c(c1N=Cc1oc(c2c([N+](=O)[O-])cccc2)cc1)C#N	PC-id_75574227	363.39	DKSSBQTVNHAHKY-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-106473
Cc1noc(c1C)c1ccc(o1)S(=O)(=O)NCc1nnc2CCCn12	EMOLS-id_316271426,ZINC22_1506421537,MCULE-4610836321	363.392	IFQQHYSZJQNQSS-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-106474
CC(=O)Nc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68441018,SCHEMBL2919646	363.392	IQTWMGLMSJRVMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106475
NC(=O)CC(c1[nH]nc2c1CN(C2)S(=O)(=O)N)C(=O)c1ccccc1	SCHEMBL7160955,PC-id_70008283	363.392	BBIDGJYAOUJYFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106476
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)CCC(=O)c1ccccc1	SCHEMBL2924494,PC-id_68442844	363.392	GHDBBIXFPJIYJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106477
s1c2CCCc2cc1C(=O)NNC(=O)Cn1nc(c([N+](=O)[O-])c1C)C	PC-id_26872461	363.392	YMBTZRLDHPUQAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106478
s1c2c(CCC2)c(c1NC(=O)Cn1nc(c([N+](=O)[O-])c1C)C)C(=O)N	PC-id_17088579	363.392	RHAJJZGJCWNBPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106479
N#Cc1c(NC(=O)c2ccnc(Oc3ccccc3)c2)nc2n1CCS2	PC-id_60323903,ZINC22_84556920	363.393	YFYKMENOXUOADJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106480
CCC(CCCCCC(=O)c1nc2n(n1)[C@@H](CC2)C(CC)(F)F)(F)F	PC-id_142363736	363.394	DRAZEQSOJUNTTE-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106481
s1c2c(CCC2)c(c1Nc1nc(NCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127501	363.395	HEDLTGIOXKNLRY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106482
c1(cccc(F)c1)OCC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4994099617,PC-id_7834486,EMOLS-id_328074637	363.403	NZWAKPHDSKEVQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106483
c1c(c(C(=O)Nc2sc3CCCc3c2C(=O)OCC)ccc1F)OC	EMOLS-id_327912069,MCULE-1516544336	363.403	MQYRWTVIWLEDMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106484
c1(F)c(ccc(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c1)OC	EMOLS-id_327932758,MCULE-1706639199	363.403	VHCFMPJASCMXEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106485
c1(NC(=O)C(C)Oc2ccccc2F)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL7325833,SPECS-id_AF-399/41704246,EMOLS-id_1998247,PC-id_2934904,MCULE-7297161123,TIMTEC208376	363.403	IAKGSVJMFHKYBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106486
c1(NC(=O)C(C)Oc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OC	MCULE-8993838092,PC-id_3327139	363.403	AYYHOAMLVBKQBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106487
c1(NC(=O)COc2ccccc2F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6921449,ZINC22_2753211,TIMTEC231327,EMOLS-id_5125200,MCULE-7448996562,SPECS-id_AK-968/15253602,PC-id_4145086	363.403	IZZRKFPMZQJLTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106488
c1(NC(=O)COc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	PC-id_2188691,TIMTEC199244,MCULE-3478547276,EMOLS-id_2211080,ZINC22_2830448,CoCoCo_927706	363.403	HQHLLJUTCWXPTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106489
COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2F)sc2c1CCC2	PC-id_1032916,CoCoCo_912353,ZINC22_702233	363.403	IAKGSVJMFHKYBC-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-106490
COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2F)sc2c1CCC2	ZINC22_702234,PC-id_1032915,CoCoCo_912354	363.403	IAKGSVJMFHKYBC-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106491
o1c2N(CCc2c(OC(=O)C(C)(C)C)c1C(=O)OCC)C(=O)CCC=C	PC-id_10937358	363.405	LKLBNSARBZELGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106492
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C1CCS(=O)(=O)C1	EMOLS-id_68888069,PC-id_118769240,MCULE-8956275825	363.407	AXJZOZVCNQTFPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106493
O=C([C@@H]1CCS(=O)(=O)C1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1	ZINC22_299757750	363.407	AXJZOZVCNQTFPU-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106494
O=C([C@H]1CCS(=O)(=O)C1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1	ZINC22_299757753	363.407	AXJZOZVCNQTFPU-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106495
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCCOC	PC-id_16947206	363.407	KHXHRMUOOSLAQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106496
Cc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1F	EMOLS-id_324918795	363.408	NWHRSMFNXQBRLD-AODRXXHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106497
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1	EMOLS-id_324916750	363.408	BBFUGGKKFFUAIC-ATRNFBLSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106498
Cc1ccc(/C=C/c2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1	ZINC22_16735431,EMOLS-id_45964841	363.408	JJHZURJLUAYEPT-LWINHUFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106499
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1	EMOLS-id_324915982	363.408	CXIOVCKBSFNVTO-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-106500
Cc1ccc(/C=C/c2nc3s/c(=C/c4ccc(F)cc4)/c(=O)n3n2)cc1	EMOLS-id_45971076,ZINC22_8867590	363.408	CXIOVCKBSFNVTO-OENGIGCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106501
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)C=Cc1ccc(cc1)F	MCULE-4869678453	363.408	IMKJGSZZCBMSNP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106502
n12nc(nc1sc(=Cc1ccccc1F)c2=O)C=Cc1ccc(cc1)C	MCULE-5275013957	363.408	BBFUGGKKFFUAIC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106503
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)C=Cc1ccc(cc1)C	MCULE-6725675621	363.408	CXIOVCKBSFNVTO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106504
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-3347986050	363.408	JJHZURJLUAYEPT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106505
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)C=Cc1ccccc1	MCULE-8726564454	363.408	NWHRSMFNXQBRLD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106506
Cc1ccc(cc1)c1ccc(cc1)OC[C@@H]1Cn2c(O1)nc(c2C)C(=O)N	PC-id_140261653	363.41	XOUWYLUESAKUEJ-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106507
COc1cccc(CNC(=O)c2nc3CN(Cc4ccccc4)Cc3o2)c1	ZINC22_96266013,PC-id_97525776,EMOLS-id_44379854	363.41	CRZQPHAIMCULOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106508
CO[C@H]1C[C@H](c2n1nnc2C(=O)c1ccccc1)COCc1ccccc1	PC-id_101375963	363.41	CJJQPHHXSCODQO-ROUUACIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106509
CO[C@@H]1C[C@H](c2n1nnc2C(=O)c1ccccc1)COCc1ccccc1	PC-id_101375964	363.41	CJJQPHHXSCODQO-ZWKOTPCHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106510
c1(NC(=O)C=Cc2ccc(N(=O)=O)s2)sc2c(CCC2)c1C(=O)N	MCULE-5277789138	363.411	QDHQCTSSLMRYAT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106511
CCOC(=O)C1CCN(CC1)C(=O)C1CCc2nnc(n12)CNC(=O)C	PC-id_134796290	363.411	CILRQXFEVRLOJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106512
NC(=O)c1c(NC(=O)/C=C/c2ccc(s2)[N+](=O)[O-])sc2CCCc12	EMOLS-id_181348503,PC-id_84418755	363.411	QDHQCTSSLMRYAT-GQCTYLIASA-N	00000010100100000000000010000000000000000000000000000000	25-01-106513
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cccn2C)n1	MCULE-7634025328,EMOLS-id_316331313	363.413	ULBLPYMQHPTIAT-HNNXBMFYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-106514
O(Cc1c(NC(=O)NCc2n3CCCc3nn2)cccc1)c1ccccc1	PC-id_60543446	363.413	VIFWQMCZVQTOLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106515
O=C(NCc1n2CCCc2nn1)c1c(Nc2ccc(OC)cc2)cccc1	PC-id_52251454	363.413	IHHCOVQQEJGIGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106516
O=C(NCc1n2CCCc2nn1)Nc1ccc(Oc2cc(ccc2)C)cc1	PC-id_52190922	363.413	MIHNHQBUSVOYFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106517
s1c2[n+](c(CC(=O)Nc3ccccc3)c1)C(=Cc1cccnc1)C(=O)N2	PC-id_51058822	363.413	GXBYACIPGPJMFK-UHFFFAOYSA-O	00000010100000111001000010000000000000000000000000000000	25-01-106518
s1c2c(CCC2)c(c1NC(=O)CSC1=NC(=O)C(=C)N=N1)C(=O)N	PC-id_78328083	363.415	KCHFVUUJIWSBRI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-106519
CCNc1ccnc(c2cccc(C(=O)NCc3nnc4n3CCC4)c2)n1	PC-id_121498660,EMOLS-id_177392643,MCULE-4295447910,ZINC22_426428396	363.416	UBVVRTWGDAQYNH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106520
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(F)c(F)cc1	PC-id_44060301	363.425	QVYBUOCVEOUBRR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-106521
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(F)cccc1F	PC-id_44060377	363.425	WNZYVRAZEPTVSV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-106522
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(F)cc(F)cc1	PC-id_44060331	363.425	BCLIKJKHZSAJFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-106523
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(cc1)C(C)C	ZINC22_67974232,EMOLS-id_36614928,MCULE-3395489430,PC-id_56759499	363.428	WUMHQDOLKVABEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106524
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1c(C)cc(c(C)c1)C	MCULE-9940057197,ZINC22_67869101,PC-id_56755317,EMOLS-id_36605300	363.428	INUQKLJTMMAEPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106525
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)Cc1cc(C)ccc1C	PC-id_56739059,ZINC22_67447021,MCULE-8671342200,EMOLS-id_36565209	363.428	NMTVTGGNNDVWDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106526
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C(CC)c1ccccc1	EMOLS-id_36573009,MCULE-1903619238,PC-id_56742018	363.428	WTHNAJYJQAOWKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106527
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C(C)(C)c1ccccc1	PC-id_56756301,ZINC22_67896465,MCULE-5071578645,EMOLS-id_36607582	363.428	JCQIEEROPVNDCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106528
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCC2)c1C(=O)OCC	MCULE-7390400119,EMOLS-id_2575648,TIMTEC343423,PC-id_5214649	363.428	NUUBFQMTRMAPEL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106529
CC[C@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)c1ccccc1	PC-id_95198038,ZINC22_67654125	363.428	WTHNAJYJQAOWKB-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106530
CC[C@@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)c1ccccc1	PC-id_95198039,ZINC22_67654126	363.428	WTHNAJYJQAOWKB-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106531
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_1849733,ZINC22_2486387,PC-id_7013464	363.428	NUUBFQMTRMAPEL-GHMZBOCLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106532
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_7013460,CoCoCo_1849736,ZINC22_2486391	363.428	NUUBFQMTRMAPEL-MNOVXSKESA-N	00000010100011000000000010000000000000000000000000000000	25-01-106533
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	PC-id_7013462,ZINC22_2486385,CoCoCo_1849734	363.428	NUUBFQMTRMAPEL-WDEREUQCSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106534
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_2486389,PC-id_7013458,CoCoCo_1849735	363.428	NUUBFQMTRMAPEL-QWRGUYRKSA-N	00000010100011000000000010000000000000000000000000000000	25-01-106535
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)CC(c2ccccc2)C)cc1	PC-id_56749817	363.428	USVQMMGXNZCSHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106536
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CC=CC)C(=O)OCC	PC-id_3893468	363.428	MNIVZKFUMAADFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106537
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/C=C/C)C(=O)OCC	PC-id_6376545	363.428	MNIVZKFUMAADFA-YBRHCDHNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106538
c1(NC(=S)NC(=O)c2ccc(F)cc2)sc2c(CCC2)c1C(=O)N	PC-id_4504953,ZINC22_6883008,TIMTEC145531,MCULE-2475664685	363.43	FHYYLTAPUFIRBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106539
FC1(CCN(C2CCC2)CC1)C(=O)N1C(c2[nH]nc(c2C1)C(=O)N)(C)C	PC-id_67491697,SCHEMBL2671816	363.43	WPIZLEFWUIYOBD-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-106540
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2F)sc2c1CCC2	PC-id_4504714,ZINC22_6884449	363.43	WODJYWHQFNBFGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106541
NC(=O)c1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCC2	ZINC22_6882481,PC-id_4504717	363.43	LXSDPLLWRSLOFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106542
c1(C(C)(C)CC(=O)NCc2cn3c(SCC3)n2)oc(C)cc(=O)c1O	PC-id_154925392,MCULE-5185898649,EMOLS-id_324515968,ZINC22_1857526416,STOCK7S-75997	363.431	FVBGIOQVZGURBV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106543
c1(NC(=O)c2ccc(cc2)OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-7375681185,CoCoCo_2666483,ChEMBL-DNDi_CHEMBLF0541-0037,PC-id_3417928,EMOLS-id_16383066	363.431	YVELMBPPJSEFPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106544
c1(NC(=O)c2cccc(OC)c2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBLF0541-0036,PC-id_4604396,MCULE-2921089566,ZINC22_3008400,EMOLS-id_16383064,CoCoCo_2666482	363.431	JCCBXMVLDXGOAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106545
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)OC)n(C)nc2CCCc12	PC-id_30859152,EMOLS-id_24910434,CoCoCo_5273032,MCULE-5516965077,ZINC22_23135719	363.431	YOWKNQHMTGSEMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106546
CCC(C(=O)O)Cc1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	MCULE-6618466924,EMOLS-id_313192210	363.431	UVTAQGSUQPMZIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106547
CC[C@H](Cc1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1)C(=O)O	ZINC22_484979167	363.431	UVTAQGSUQPMZIT-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106548
CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1)C(=O)O	ZINC22_484979169	363.431	UVTAQGSUQPMZIT-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106549
COc1ccccc1C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	CoCoCo_4982161,ChEMBL-DNDi_CHEMBLF0541-0035,PC-id_3634273	363.431	JHMBYGMARCMNRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106550
COC(=O)C1=CNC(=CSC1Cc1nn2c(c1)CC(C2)(C)C)C(=O)O	PC-id_69421886,SCHEMBL5377694	363.431	QSGFPTQAOVKLFM-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-106551
O=C(c1ccc(nc1)OCCOC(C)(C)C)Nc1onc2c1CSC2	PC-id_92087082	363.431	HRALCEOVJMLDRW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-106552
O=C(Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)COc1ccccc1	EMOLS-id_5438361,MCULE-7469200392,PC-id_4183392,CoCoCo_4982180	363.431	HUMUMIDWSZHDMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106553
OC(=O)CCC(NS(=O)(=O)c1cnc2n1CCC2)Cc1ccccc1	EMOLS-id_72220952,PC-id_120395761,MCULE-7476535115	363.431	PIFHFXPDJBTWMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106554
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C1CCCC1)C(=O)OCC	PC-id_19661652	363.431	FUBFAVRGGURIRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106555
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C1CCCCC1)C(=O)OC	PC-id_19659728	363.431	LZLJBPMYVZIVPZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106556
s1c2CCC(c2nc1NC(=O)CCc1c(onc1C)C)C(=O)OCC	PC-id_49712379	363.431	OCYGMUBBJGOWKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106557
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1	MCULE-5293071415,BAS-00486921,EMOLS-id_1231041,Chemmine_6639,PC-id_1284330,CoCoCo_81787,ZINC22_1104457	363.433	UPSWRRKFRYVCSV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106558
c1(NC(=O)c2ccccc2C(=O)c2ccccc2)n(C)nc2CSCc12	EMOLS-id_334564534,MCULE-3458459391	363.433	OOUZGPNIFZHRKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106559
Cc1ccccc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324848891	363.433	YKKIEPKFDHSYFW-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106560
Cc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324846330	363.433	XGASKXKLJXMBSO-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106561
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324870149	363.433	KHMCMQBOFLDWJD-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106562
Cc1ccc(CCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)cc1	EMOLS-id_324905999	363.433	ODTIHJSBAIIJDM-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106563
Cc1ccc(CCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)cc1	EMOLS-id_324905996	363.433	XROBYOFAIWNSGX-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106564
Cc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324847867	363.433	UVHWGAHLBOHIFY-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106565
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)c1	EMOLS-id_324878346	363.433	UMGFMIVXPIAXMW-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106566
Cc1ccc(cn1)NC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1	PC-id_97407186	363.433	FIWDQGDEUNKCHP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106567
BrCCN(C(=O)c1sc2CCCc2c1)Cc1ccccc1	PC-id_80656378	364.3	XFEBAPXAAGLMPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106881
Cc1cccc(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)c1C	EMOLS-id_324876295	363.433	USGXZPKQMDNFDO-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106568
Cc1ccc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)nc1	PC-id_97524485,EMOLS-id_44378936,ZINC22_96264546	363.433	TZXUABQZHNENKI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106569
Cc1ccc(OCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)cc1	EMOLS-id_324867076	363.433	XJRYHCXLMITTTH-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106570
Cc1ccc(OCc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324866052	363.433	FKPNKGYENAGJQE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106571
Cc1ccc(OCc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)cc1	EMOLS-id_324868610	363.433	UYEHKWFUXKHFJB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106572
Cc1ccc(O)c(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324840188	363.433	ZOPSGMSBKMLLKB-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106573
Cc1nccc(c1)NC(=O)c1sc2c(c1)N(CC2)C(=O)c1ccccc1	PC-id_97407185	363.433	WEAYRZHRYTWHIU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106574
CCc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324838655	363.433	FVBIXCDDKMLIQZ-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106575
CCc1cccc(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)c1	EMOLS-id_324889605	363.433	OZWIXCGTLVXYOF-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106576
CCc1ccc(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_324884492	363.433	VRWPYPSJLHJKLY-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106577
CCc1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324842219	363.433	DTGBZTFKJBCWAH-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106578
CCOc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324837108	363.433	AKIQTYSADIRRME-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106579
CCOc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324834553	363.433	OQXIDFNYPVNKMH-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106580
COc1ccccc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324840695	363.433	CWXGKRYCEFXXFL-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106581
COc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324839158	363.433	IFAHWVOBNPXQJE-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106582
COc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324837624	363.433	JQRQYVMDNSMRAZ-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106583
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCCOc1ccccc1	MCULE-3796995057	363.433	KJHHVMCWJGXATQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106584
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1ccc(cc1)CC	MCULE-2907294796	363.433	VRWPYPSJLHJKLY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106585
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1c(C)cccc1C	MCULE-2033591282	363.433	KHMCMQBOFLDWJD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106586
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1cc(C)ccc1C	MCULE-3961740460	363.433	UMGFMIVXPIAXMW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106587
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1cccc(C)c1C	MCULE-7233365275	363.433	USGXZPKQMDNFDO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106588
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1cccc(CC)c1	MCULE-5893406285	363.433	OZWIXCGTLVXYOF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106589
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCOc1ccccc1	MCULE-9896615155	363.433	YKKIEPKFDHSYFW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106590
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1ccc(cc1)C	MCULE-3601286918	363.433	XJRYHCXLMITTTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106591
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)CCC	MCULE-9081362721	363.433	YVQCJLPXSNLPCC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106592
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CC	MCULE-6717836042	363.433	DTGBZTFKJBCWAH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106593
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCc1ccccc1	MCULE-2308396281	363.433	CWXGKRYCEFXXFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106594
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)CCc1ccccc1	MCULE-2616396534	363.433	ZOPSGMSBKMLLKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106595
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)Cc1ccccc1	MCULE-3936959276	363.433	AKIQTYSADIRRME-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106596
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)CCOc1ccccc1	MCULE-2479682334	363.433	XGASKXKLJXMBSO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106597
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCOc1ccccc1	MCULE-8116672163	363.433	UVHWGAHLBOHIFY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106598
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1ccc(cc1)C	MCULE-4464677296	363.433	FKPNKGYENAGJQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106599
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)COc1ccc(cc1)C	MCULE-5210542412	363.433	UYEHKWFUXKHFJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106600
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)COc1ccccc1	MCULE-2600911087	363.433	FVBIXCDDKMLIQZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106601
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCc1ccc(cc1)C	MCULE-9512724688	363.433	ODTIHJSBAIIJDM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106602
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCc1ccccc1	MCULE-6546480160	363.433	JQRQYVMDNSMRAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106603
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)Cc1ccccc1	MCULE-9801736836	363.433	OQXIDFNYPVNKMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106604
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)CCc1ccc(cc1)C	MCULE-7440749631	363.433	XROBYOFAIWNSGX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106605
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)CCc1ccccc1	MCULE-9474091672	363.433	IFAHWVOBNPXQJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106606
O=c1n2nc(CCCOc3ccccc3)nc2s/c/1=Cc1ccccc1	EMOLS-id_324850931	363.433	KJHHVMCWJGXATQ-VKAVYKQESA-N	00000000100000110001000010000000000000000000000000000000	25-01-106607
O=C(c1sc2c(c1)N(CC2)C(=O)c1cccnc1)NCc1ccccc1	PC-id_97524473	363.433	QQJFZCDJWFAODQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106608
O=C(CCc1ncc(o1)c1ccccc1)Nc1sc2CCCc2c1C#N	EMOLS-id_322837692,MCULE-8619873100	363.433	NBXSVICZZBRHFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106609
O=C(NCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1ccccc1	PC-id_97442315,ZINC22_96146788,EMOLS-id_44303550	363.433	BXVVLJSYYMOSLJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106610
O=C(NCc1ccncc1)c1cc2c(s1)CCN2C(=O)c1ccccc1	PC-id_97442316,ZINC22_96146789,EMOLS-id_44303552	363.433	AHVZTEOUXMLXKO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106611
s1c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)Nc1cccnc1	PC-id_32211190	363.433	UHXFTAYBSVANQV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-106612
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1	PC-id_16947076	363.433	UWYJYMWVFRSPQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106613
s1c2CCCc2nc1NC(=O)c1cc(NC(=O)c2ccccc2)ccc1	PC-id_5213378	363.433	ACQAHIOSDSUJOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106614
Cc1ccc(cc1)N(CC(=O)NCc1nnc2CCCn12)S(=O)(=O)C	MCULE-6106368815,EMOLS-id_31622179,PC-id_46996675,ZINC22_55368830	363.435	ZVBYJJNQANHEFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106615
Cc1ccc(NS(=O)(=O)C)cc1NC(=O)NCc1n[nH]c2c1CCC2	PC-id_118785356,ZINC22_299777783,MCULE-4039353823,EMOLS-id_68920897	363.435	LAKHCXQDNGOKJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106616
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1nnc2n1CCC2	ZINC22_12794827,MCULE-2459101993,EMOLS-id_16802223,PC-id_17541663,CoCoCo_4560422	363.435	GZMYWLMKFARVIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106617
CCC(NS(=O)(=O)c1cccc(c1)NC(=O)N1CCn2c1ncc2)C	MCULE-2251630012,EMOLS-id_320042723	363.435	SMPGPKFHPSGVJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106618
CCCS(=O)(=O)Nc1cccc(c1C)NC(=O)N1CCn2c1ncc2	EMOLS-id_318341521	363.435	LWWHSOHADPBGRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106619
CC(N(S(=O)(=O)c1ccc(cc1)NC(=O)N1CCn2c1ncc2)C)C	EMOLS-id_320246262,MCULE-9985838698	363.435	LIUGFPPDUCYHSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106620
CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1	CoCoCo_4525771,EMOLS-id_11986226,PC-id_17555646,MCULE-6755267056,ZINC22_8753903	363.435	JAZHNFPTADYSLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106621
CNS(=O)(=O)c1cc(C(=O)NCc2nnc3n2CCC3)cc(C)c1C	EMOLS-id_16695651,CoCoCo_4474379,ZINC22_12996124,MCULE-7090616805,PC-id_25657077	363.435	ICVNIRWTFQVBRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106622
COCCNC(=O)c1cnc2CCC(CNC(=O)c3csc(C)n3)n12	EMOLS-id_313763776	363.435	HUQKJPFBZZJJJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106623
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1csc(C)n1)CC2	ZINC22_1565551574	363.435	HUQKJPFBZZJJJJ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106624
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1csc(C)n1)CC2	ZINC22_1614933187	363.435	HUQKJPFBZZJJJJ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-106625
O=C(N1CCOC(C1)c1noc(n1)C)Nc1sc2c(n1)C(CC2)(C)C	MCULE-8976390292,EMOLS-id_102005745	363.435	NGRLDRGAXCCGBA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106626
S(=O)(=O)(Nc1c(C(=O)NCc2n3CCCc3nn2)cccc1)CCC	PC-id_52413933	363.435	RYMLTQXNIHXULX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106627
O=C(Nc1scc(n1)CN1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_98010461	363.438	IVEMTUJQTQTAHZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106628
C/C=C(C1=C(C)c2n(C1CCC1(F)CCC(CC1)CC(=O)N)cnc2)/F	PC-id_142610977	363.445	KEAHNVIEGJVBTC-CRKCGEKBSA-N	00000011100010000001000010000000000000000000000000000000	25-01-106629
CCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CC=C2C(=O)OCCC	SCHEMBL10818285,PC-id_70450719	363.449	PDIGVKLNLHTRBQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-106630
CCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)C	SCHEMBL10813639	363.449	YQYAJRWUORWRIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106631
Fc1ccc(c(c1)C)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100578655	363.45	SDALEWPJSISTAS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106632
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)OC(C)(C)C)C(=O)OC	EMOLS-id_324346723,MCULE-5434487038	363.451	GNLYEFNDXCUAGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106633
C=CCS(=O)c1cc2n(c1C(=O)c1cccs1)CCC2C(=O)OC	PC-id_70451010,SCHEMBL10819015	363.451	NVLDKIUPVVUAEN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106634
C=CCS(=O)c1cc2n(c1C(=O)c1cscc1)CCC2C(=O)OC	SCHEMBL10818945,PC-id_70450974	363.451	QZXDKPOXPSYPDU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106635
CC(=O)NCc1ccc(C(=O)COC(=O)c2cc3c(s2)CCC3)s1	EMOLS-id_30669647,ZINC22_7427482,PC-id_8522597,MCULE-9255220710	363.451	XTVCOJUAUQRGDB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106636
O=C(CC1(CCCCCC1)C(=O)[O-])Nc1sc2c(c1C(=O)N)CCC2	GD-id_ZINC16481924	363.451	XBOOYFSABJHEDH-UHFFFAOYSA-M	00000010100000000100000010000000000000000000000000000000	25-01-106637
OC(=O)C1CCn2c1cc(c2C(=S)c1ccc(cc1)C)S(=O)(=O)C	SCHEMBL10813017,PC-id_20235115	363.451	OITQRFOCDOPYTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106638
s1c2c(CCC2)c(c1NC(=O)CC[NH2+]Cc1occc1)C(=O)OCC	PC-id_2406926	363.451	PTJXCYAIQZCZNN-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-106639
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1occc1)C)C(=O)OCC	PC-id_84871211	363.451	YRSCCJGZAJWFEC-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-106640
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1occc1)C)C(=O)OCC	PC-id_8918970	363.451	YRSCCJGZAJWFEC-NSHDSACASA-O	00000010101000000000000010000000000000000000000000000000	25-01-106641
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1occc1)C)C(=O)OCC	PC-id_8918975	363.451	YRSCCJGZAJWFEC-LLVKDONJSA-O	00000010101000000000000010000000000000000000000000000000	25-01-106642
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1occc1)C)C(=O)OCC	PC-id_9334088	363.451	VYPBGVHEQSZGMY-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-106643
s1c2c(CCC2)c(C(=O)NC2CCCC2)c1NC(=O)CCCC(=O)[O-]	PC-id_27519845	363.451	JBXCQBZCAVXAAK-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-106644
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)CCC(=O)[O-]	PC-id_40637787	363.451	TZCWHSXDDZUMTF-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-106645
c12CN(Cc1nn(CC1CCCCC1)c2C#C)C(=O)OCc1ccccc1	MCULE-9514359200,EMOLS-id_324361314	363.453	BEGVMSDRPYLEJE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-106646
Cc1cccc(c1)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109403	363.453	ZMDLCBLHNLFHJP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106647
Cc1cc(C)cc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109339	363.453	FNGQSWNSIGZRFF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106648
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2n[nH]c3c2CCC3)cs1	MCULE-4748267421,ZINC22_583622038,EMOLS-id_316040396	363.453	FHAGPMQCJDSUHV-AAEUAGOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106649
O=C(c1ccc(c(c1)C)C)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109340	363.453	BFRZKKQKELDZER-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106650
O=C(C[n+]1ccccc1)Nc1sc2c(c1C(=O)c1ccccc1)CCC2	ASN-06262731,PC-id_3219001,EMOLS-id_6627449,ZINC22_4889467	363.453	TVAOSZHGXNWJHB-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-106651
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCc1ccccc1	PC-id_92109407	363.453	NHTARPKIQMHYQR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106652
c1(NC(=O)CSc2nccc(C)n2)sc2c(CCC2)c1C(=O)OC	MCULE-8197179777,TIMTEC547684,ZINC22_6700249,CoCoCo_1044943,EMOLS-id_2289335,PC-id_6465859	363.454	XISSVZXBQUBAMY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106653
c1(NC(=O)CSc2ncccn2)sc2c(CCC2)c1C(=O)OCC	PC-id_1038022,MCULE-8665781847,CoCoCo_1950635,SPECS-id_AG-205/13358036,EMOLS-id_4041175,CK1378935,ZINC22_708795	363.454	IKXAUNIHAYCCID-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106654
c1(NC(=O)NN=Cc2cccs2)sc2c(CCC2)c1C(=O)OCC	PC-id_19168808,MCULE-4428973417	363.454	LDLJKGCOXQWEHU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106655
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1c(noc1C)C	EMOLS-id_186631985,MCULE-4444573512	363.454	XZHGWOXWYWPROB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106656
O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)NC2CC2)c1	MCULE-6730316251,PC-id_33039939,ZINC22_25768261,EMOLS-id_30235900	363.454	LGTYTQRWEQFDBL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106657
O=C(NNC(=O)c1sc2c(c1)CCC2)CCNC(=O)c1ccsc1	CoCoCo_3910318,MCULE-8918236936,EMOLS-id_24970127,PC-id_27684636	363.454	SOWQEFALIMMHGB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106658
OC(=O)CN1Sc2c(C1)sc(c2)NC(=O)c1ccc(cc1)N(C)C	PC-id_143828700	363.454	SIPWDFBDPHRJIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106659
s1c2CCCc2cc1C(=O)NNC(=O)C(NC(=O)c1sccc1)C	PC-id_46642678	363.454	QMIPNYOUVFKSMG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106660
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)NCC=C)ccc1	PC-id_33040765	363.454	DHJJYHIXXBNCCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106661
S1(=O)(=O)N(CCC1)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_51248291	363.454	VQJALXKBANFQJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106662
S1(=O)(=O)N(CCC1)c1cc(ccc1)C(=O)Nc1sc2CCCc2n1	PC-id_51315215	363.454	YOCSVXPVUHJORD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106663
S(=O)(=O)(NC1CC1)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_33040870	363.454	QGWLPSYBFHXJEC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106664
CC(C)(C)OC(=O)N1CCC(C(=O)NCCc2nnc3n2CCC3)CC1	PC-id_51114965,ZINC22_42502766,MCULE-3999106176,EMOLS-id_33348902	363.455	GYFGNGBWTSGELS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106665
O(C(=O)C1CCN(CC1)C(=O)NC(c1n2CCCc2nn1)C(C)C)CC	PC-id_60273927	363.455	ZTOLWVBHDDNCLX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106666
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)OCC)C#N	PC-id_2654284	363.455	RDMHNHPZHZURIX-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-106667
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N1CCOCC1)C)C#N	PC-id_8711540	363.455	NVXNELMOYQZVMC-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-106668
s1c2CCCc2c(c1NC(=O)C(=O)NCCC[NH+]1CCOCC1)C#N	PC-id_8031104	363.455	MNFBFYCNFYHEIL-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-106669
Cc1cc(C(=O)NCCc2nnc3n2CCC3)c(C)n1Cc1ccccc1	ZINC22_69564410,EMOLS-id_36268758,PC-id_53528833,MCULE-9123305628	363.456	LLQGCLBJPQCJHD-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-106670
Cc1nn(c2ccccc2)c(C)c1CC(=O)N(C)Cc1[nH]nc2c1CCC2	MCULE-2375421328,PC-id_50980695,ZINC22_67935313,EMOLS-id_32429710	363.456	SRUGFNMBKQEPHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106671
CCc1ccc(cn1)C(=O)N1Cc2c(Cn3cccc3)nn(C(C)C)c2C1	ZINC22_2055719478,EMOLS-id_313736913	363.456	OBTVPFYTKNFMLJ-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-106672
CN(Cc1n[nH]c2CCCc12)C(=O)c1cccc(Cn2nc(C)cc2C)c1	MCULE-5832144316,PC-id_91763377,EMOLS-id_55612263	363.456	VKPNWAKJWMVDOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106673
CNS(=O)(=O)NC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100773779	363.456	AIWYLJYNLHYZJO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106674
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)C=Cc1cccs1	MCULE-9215671355	363.456	IGLXARSPOGJPMP-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-106675
O=c1/c(=C/C=C/c2ccccc2)/sc2nc(/C=C/c3cccs3)nn12	ZINC22_27022414,EMOLS-id_45970418	363.456	IGLXARSPOGJPMP-BXPXXIIUSA-N	00000000100100110001000010000000000000000000000000000000	25-01-106676
CCNC(=NCc1nnc2n1CCC2)NC1CCN(CC1)C(=O)OCC	PC-id_111327968	363.458	ROZGSPTYCKENBD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106677
CCNC(=NCc1nnc2n1CCC2)NC1CN(C1)C(=O)OC(C)(C)C	PC-id_109467076	363.458	HUSXHWHEEWHFJG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-106678
CN=C(N1CCC(C1)NC(=O)OC(C)(C)C)NCc1nnc2n1CCC2	PC-id_111729139	363.458	LYQRUMWBRJQJKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106679
COCCn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_2468397,MCULE-5582753403,EMOLS-id_3362993,ChEMBL-DNDi_CHEMBL1710638,ZINC22_3351314,CoCoCo_2903758	363.458	XMJVSABXSCLTPC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106680
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CC2)cnn1)C(=O)N	PC-id_42124123	363.458	WCQQLRCCGTVBKU-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-106681
s1c2CCCc2c(c1NC(=O)CSc1n(CCC)c(=O)[nH]n1)C#N	PC-id_8625921	363.458	FKQQMOAYDKXLRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106682
s1c2c(CCC2)c(c1NC(=O)CSc1nc(cc(n1)N)C)C(=O)N	PC-id_8292795	363.458	SLMMFOGWTHYVKM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106683
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)C1CC1)C(=O)N	PC-id_16587064	363.458	AUVJTZIBEOCQEQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-106684
s1c2CCCc2cc1C(=O)OCC(=O)N1C(CC(=O)CC1(C)C)(C)C	PC-id_24593269	363.471	CVVNGOFHMHSXJB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106685
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C(=O)C	PC-id_18286433	363.471	QIPFCLGAMSFUJH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106686
Cc1ccc(cc1)S(=O)(=O)n1cc2c(c1/C=C/c1ccccc1)CCC2	PC-id_102109285	363.473	RRVXSZZSLZSDGA-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106687
O=C(Nc1sc2c(c1C)CCC2)COc1ccc(cc1)c1ccccc1	PC-id_143029394	363.473	VKRLVRGDMQTWBL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-106688
c1(NC(=O)C2CC(=O)N(C(C)(C)C)C2)sc2c(CCC2)c1C(=O)NC	MCULE-5610085096,EMOLS-id_334329560	363.474	PNESZWNUMUKIBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106689
COCCNC(=O)C1CCN(CC1)C(=O)C1=Cc2c(C1(C)N)ccs2	PC-id_70998693,SCHEMBL13812489	363.474	XXNQHOKZPLGWEG-UHFFFAOYSA-N	00000011100010000000000010000000000000000000000000000000	25-01-106690
N#Cc1c(NC(=O)C(N(CC2(O)CCOCC2)C)C)sc2c1CCC2	EMOLS-id_97693990	363.474	IZGCTKZKGFUYJT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106691
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)NC(=O)N1CCOCC1	EMOLS-id_319790266	363.474	FQEBJTXFASEBBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106692
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCOCC1	ZINC22_34895956,MCULE-5561527260,CoCoCo_4091653,PC-id_17400295	363.474	PHCIJHFWYRJDAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106693
s1c2CCCc2c(c1NC(=O)CCN(CC(C)C(=O)OC)CC)C#N	PC-id_60253489	363.474	AROYPJIMJVSFFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106694
s1c2c(CCC2)c(c1NC(=O)CN(CC(C)C#N)CC)C(=O)OCC	PC-id_56068647	363.474	NILKORHYSJAHHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106695
N#Cc1c(NC(=O)CN2CC=C(c3ccccc3)CC2)sc2c1CCC2	CoCoCo_3575409,EMOLS-id_3338595,ZINC22_3323624,CoCoCo_3575410,PC-id_2439101,MCULE-5372512524	363.476	IMRGKRQZYMYEHL-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-106696
CC1CC(c2n1ncn2)NCc1ccccc1S(=O)(=O)NC(C)(C)C	EMOLS-id_319435512	363.478	CGCPWIZQMFOGBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106697
Cn1cnc(c1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110064	363.478	OXBOSRCIMNFXHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106698
O=C(CN1CCN(CC1)CC(=O)Nc1sc2c(n1)CCC2)NC1CC1	PC-id_99588331	363.478	SDDPVYLJNXBVHL-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-106699
O=C(N1CCC(CC1)N1CCCC1=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99915444	363.478	PVMVBDQBXXPJIV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106700
O=C(NC1CC1)NC1CCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007104	363.478	IRWKHKKMJZNBEW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-106701
N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(c1C#N)CCC2)CC	PC-id_102065699	363.479	MCGMKHDNIVNATO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106702
COC(c1scc(n1)CN(C(=NC)NCc1nnc2n1CCC2)C)C	PC-id_109455700	363.481	QKGYTWLOYDQCGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106703
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc([nH]2)CCCCC(=O)OC)O	PC-id_102506065	363.491	WHQLCOYNUVOBKE-HUULXATKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106704
CCCCC[C@H](/C=C/[C@H]1[C@H](O)Cc2c1cc([nH]2)CCCCC(=O)OC)O	PC-id_102506066	363.491	WHQLCOYNUVOBKE-PEGFZBJZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106705
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC(C1)N1CCCC1	EMOLS-id_328341136,MCULE-5821979798	363.496	SNWUTYHSJMVZLU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-106706
s1c2C[NH+](Cc2cc1C(=O)NCc1ccc(cc1)C)Cc1ccccc1	PC-id_3602383	363.496	GRFRUNFNNJBBRD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-106707
Cc1ccc(cc1)C1CSCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100174355	363.498	VDHOQGYZWWYDFH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106708
Cc1ccsc1CN(C)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3848680,PC-id_9433949,EMOLS-id_11970106,CoCoCo_3848681,MCULE-6249039502,ZINC22_8309948	363.498	QOSJFISFNQPAGG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106709
CC1SCCN(C1c1ccccc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100205401	363.498	BSIRVAGDEWHUND-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106710
CC(C)N(C)CC(=O)N1Cc2c(CN3CCOCC3)nn(C(C)C)c2C1	ZINC22_1565553667,EMOLS-id_313733333	363.498	BDIGJSIPTDRLMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106711
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2C	PC-id_117997550,SCHEMBL16622361	363.498	ZDWRHJMIBCUSGZ-KGLIPLIRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106712
O=C(N1CCC(CC(C1)(C)C)NCc1nnc2n1CCC2)OC(C)(C)C	EMOLS-id_258218155,MCULE-3105673264	363.498	XWLPXZITUNZMML-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-106713
O=S(=O)(c1cnc2n1CCC2)Nc1ccccc1SC1CCCC1	EMOLS-id_100459481	363.498	WYOGMCTUGIMAJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106714
s1c2c(CCC2)c(c1NC(=O)CN(Cc1sccc1)CC)C(=O)N	PC-id_8718280	363.498	JCNXRLTXJIIJFQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106715
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)CC)C#N	PC-id_8796786	363.498	AJPWEFUAYHYRCO-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-106716
s1c2c(scc2)c(=Cc2ccc(N(CC)CC)cc2)c1=C(C#N)C#N	PC-id_71812657	363.499	LIHJEJBUTNQKSP-UHFFFAOYSA-N	00000000100000110000000010000000000000000000000000000000	25-01-106717
CCNC(=NCc1nnc2n1CCC2)NCC1OCCN(C1)CC(C)C	PC-id_111020465	363.501	AEEFWZVFYPSJJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106718
CCNC(=NCc1nnc2n1CCC2)NCC(N1CCOCC1)C(C)C	PC-id_111020591	363.501	JQCKCKFOBNJNKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106719
CN=C(NCc1nnc2n1CCC2)NCC(N1CCOCC1)CC(C)C	PC-id_111020595	363.501	RLLFNRRNONKXGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106720
O=C(c1csc(n1)N1CCCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_278166560	363.501	ACIRHWHYQPRCIC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106721
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)OC	PC-id_19206937,MCULE-7977111294	363.514	LCBJZINYCPALHD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106722
n1c2CCCc2sc1CCNC(=O)C1(CCCCC1)N1CCOCC1	MCULE-6729550259,ZINC22_299788274,PC-id_118773142,EMOLS-id_68896177	363.517	QEBWXPZZIWKNET-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106723
O[C@@H]1CCN(C[C@H]1C1CCCC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010905	363.517	DIIRRDDXRPSYFN-UONOGXRCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106724
O=C(N1CCC(CC1)OC1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001902	363.517	YPOYPAQMACFXLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106725
s1c2c(CCC2)c(c1NC(=O)[C@@H](NC1CCCCCCC1)C)C(=O)N	PC-id_9444327	363.517	HHQTXZOYHQYDGG-LBPRGKRZSA-N	00000010100000000100000010000000000000000000000000000000	25-01-106726
s1c2c(CCC2)c(c1NC(=O)[C@H](NC1CCCCCCC1)C)C(=O)N	PC-id_9444329	363.517	HHQTXZOYHQYDGG-GFCCVEGCSA-N	00000010100000000100000010000000000000000000000000000000	25-01-106727
s1c2c(CCC2)c(c1NC(=O)C(NC1CCCCCCC1)C)C(=O)N	PC-id_85010421	363.517	HHQTXZOYHQYDGG-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-106728
S(c1n(c2CCCc2n1)Cc1ccccc1)Cc1c(N(C)C)cccc1	PC-id_10690103	363.519	HGJRIBOLSCQNEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106729
c1(NC(=O)CSc2scc(C(C)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_324890699,MCULE-8089440680	363.521	JJDRYJRMGXBFFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106730
CN1CCC(CC1)C1CCN(C1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99857312	363.521	CTEVIKWBJMKQSB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106731
O=C(N1CCC2N(C(C1)CC2)C(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99899676	363.521	KORYKKJCKAWHSH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-106732
O=C(N1CCCCC1C1CCCNC1)NCCc1cn2c(n1)SCC2	EMOLS-id_101890369	363.521	YORZIBMJHJXVKY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106733
O=C(N1CCC(CC1)C1NCC1(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_101890360	363.521	KPHMFTZATVHWDA-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-106734
O=C(N1CCC(CC1)N1CCCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99896592	363.521	SMBJYTAKVQTGRU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106735
O=C(N1CCCC(CC1)N1CCCC1)NCCc1nc2n(c1)CCS2	EMOLS-id_99899937	363.521	LOMCPXCEEDLLIA-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-106736
O=C(N1CCCN(CC1)C1CCCC1)NCCc1nc2n(c1)CCS2	EMOLS-id_99886760	363.521	NSSZSGUUWGFPQJ-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-106737
O=C(N1CCN(CC1)C1CCCCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99896223	363.521	JQWXIPGBTPINAT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106738
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCC1)N1CCSCC1	EMOLS-id_101418630	363.521	OKEBCJVWCYIPHL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-106739
[Si](C1c2n(C=C1)ccc2)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_15419983	363.526	JQBPYCYYMSGCKY-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-106740
[Si](C1n2c(C=C1)ccc2)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_15419982	363.526	SCKSIKAVKGFXKS-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-106741
N#Cc1c(NC(=O)CCN2CCSC(C2)C(C)C)sc2c1CCC2	EMOLS-id_99786142	363.541	NCMTULVMKXBWBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106742
N#Cc1c(NC(=O)C(N2CCSC(C2)C(C)C)C)sc2c1CCC2	EMOLS-id_99783568	363.541	YZRYPHRYHGHPJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106743
CCCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16604991,PC-id_117982946	363.557	LABAQZCTJPEBRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106744
CCCCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2C)C)C	PC-id_117750080,SCHEMBL16307272	363.557	PYBCFYRAIWNLNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106745
CCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C(C)C)C	PC-id_117998387,SCHEMBL16623382	363.557	SGIJJIHUIMADOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106746
CCCC[C@@H]1CC[C@@H](CC1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	CoCoCo_2666441	363.561	DXJNZPLRLFWAKG-GASCZTMLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106747
CCCC[C@@H]1CC[C@H](CC1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	CoCoCo_2666442	363.561	DXJNZPLRLFWAKG-SHTZXODSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106748
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)C(C)(C)C	PC-id_4058040	363.561	DXJNZPLRLFWAKG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106749
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)c(cc1Cl)Cl	PC-id_104287522	363.647	ULAYKTCUBOPSKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106750
OC(=O)C1CCc2c1nc(s2)Nc1c(Cl)cc(cc1Cl)Cl	PC-id_104287401	363.647	AYGXURCAFDSXLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106751
Brc1c(F)cc(C(Cl)c2sc3c(CCC3)c2)c(F)c1	PC-id_64211224	363.648	TVLIUJQBEPFCJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106752
Clc1cc(F)c(cc1C(c1sc2c(c1)CCC2)Br)F	PC-id_113964008	363.648	LHDVSJIIFAIVAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106753
CNC(c1sc(c(c1)Br)Cl)c1sc2c(n1)CCC2	PC-id_113743832	363.724	KTFOPFRALDEJIE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-106754
O=C(Nc1nn(cc1Cl)CC(F)(F)F)NCc1nnc2n1CCC2	EMOLS-id_319053254	363.726	ZVVHPSVSZDMHGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106755
COc1cccc(Cl)c1[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)CCO1	ZINC22_2325791216	363.796	BPMYLMCWYOCIAQ-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106756
COc1cccc(Cl)c1[C@H]1CN(C(=O)c2cc3n(n2)CCO3)CCO1	ZINC22_2325791217	363.796	BPMYLMCWYOCIAQ-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106757
c12CN(Cc1cnn2CCO)C(=O)Nc1ccc(c(C(=O)NC)c1)Cl	EMOLS-id_68887811,MCULE-5642570877,ZINC22_299760293,PC-id_118769121	363.799	IXNZOFOHBKAOPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106758
Clc1ccc(cc1)N1CCN(CC1)CC1Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5545470,PC-id_69482071	363.799	AKUMKJJBERWOCT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106759
Clc1ccc(cc1)N1CCN(CC1)C[C@H]1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69482067,SCHEMBL5545465	363.799	AKUMKJJBERWOCT-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106760
CN(C)C(=O)COCc1n[nH]c2c1CN(C(=O)c1cccc(Cl)n1)C2	EMOLS-id_313725650,ZINC22_2055713523	363.799	ZYZCGNYPDYJRKS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-106761
Clc1c(/N=c/2sc(=O)n3n2CCC3)c(sc1CC(=O)OC)F	PC-id_67770915	363.815	OHHCPNULAXXYDR-PTNGSMBKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-106762
COC(=O)Cc1sc(c(c1Cl)N=c1sc(=O)n2n1CCC2)F	SCHEMBL9094503	363.815	OHHCPNULAXXYDR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-106763
Clc1ccc(N2CC(CC2=O)C(=O)Nc2onc3c2CSC3)cc1	PC-id_49719094	363.819	FOKBJFSFEFVVRU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106764
n12nc(nc1sc(=Cc1cc(Cl)ccc1OC(=O)C)c2=O)CCC	MCULE-1610884842	363.819	ZYLHFHQJQUIBCL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106765
c1(nnc2SCCn12)NC(=O)C1CC(=O)N(c2ccc(cc2)Cl)C1	EMOLS-id_16349517,PC-id_22582991,MCULE-8952876031	363.822	YZYSXATYQSXXCB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106766
Clc1ccc(N2C[C@H](CC2=O)C(=O)Nc2n3CCSc3nn2)cc1	CoCoCo_2590558,PC-id_27549241	363.822	YZYSXATYQSXXCB-VIFPVBQESA-N	00000010100000110001100010000000000000000000000000000000	25-01-106767
Clc1ccc(N2C[C@@H](CC2=O)C(=O)Nc2n3CCSc3nn2)cc1	CoCoCo_2590559,PC-id_27549244	363.822	YZYSXATYQSXXCB-SECBINFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106768
Clc1ccc(Cn2c3C(OCC(=O)ON)CCc3nc2C(C)C)cc1	PC-id_67435463,SCHEMBL2514058	363.839	UWNIWUXHVZFZEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106769
Cn1nc2c(c1C(=O)N[C@@H]1C[C@H](Cn3cc(Cl)cn3)C[C@H]1O)CCC2	ZINC22_2325785518	363.842	BZYCYBIQFCXYNU-COLVAYQJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106770
Cn1nc2c(c1C(=O)N[C@@H]1C[C@@H](Cn3cc(Cl)cn3)C[C@H]1O)CCC2	ZINC22_2325785519	363.842	BZYCYBIQFCXYNU-VCTAVGKDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106771
c1(c(Cl)cccc1C(=O)Nc1sc2CCCc2c1C(=O)OCC)C	EMOLS-id_328118077,MCULE-1006380940	363.858	OQGKQVZJXKSZRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106772
c1(NC(=O)Cc2ccc(Cl)cc2)sc2c(CCC2)c1C(=O)OCC	PC-id_1011403,TIMTEC468125,SPECS-id_AK-968/14003883,ZINC22_672023,EMOLS-id_2446578,MCULE-4068558116,CoCoCo_907818	363.858	TXVZUHJCEUHSIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106773
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_19220879,MCULE-5769045439	363.858	ROMIMFFRQINNCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106774
c1(NC(=O)CCc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	MCULE-1515121127,PC-id_2072783	363.858	NRIDMNYBZULEJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106775
Cc1cc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c(Cl)c1	EMOLS-id_3452211,CoCoCo_2840773,ZINC22_6790208,MCULE-7544570159,PC-id_4799901	363.858	MYABWNKAVPEQRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106776
CCc1cc2n(c1C(=O)c1scc(c1)Cl)CC=C2C(=O)OC(C)C	SCHEMBL11660966,PC-id_70628969	363.858	QWBXRHBMOYOVBW-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-106777
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)Cl)sc2c1CCC2	PC-id_110825255	363.858	NMKLMGUKSZFSGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106778
CCOC(=O)c1c(NC(=O)c2cccc(c2)CCl)sc2c1CCC2	SCHEMBL267472,PC-id_66638494	363.858	CXBFMKRVVPFGGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106779
CCOC(=O)c1c(NC(=O)c2ccc(C)c(Cl)c2)sc2CCCc12	EMOLS-id_327962554,MCULE-1472102388	363.858	QVKASHMNFOSLRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106780
Clc1ccc(CCNC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_7291831	363.858	BDVQNCGFYOCOPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106781
Clc1ccc([C@@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7291986	363.858	UDALFFFEVXDIPY-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-106782
Clc1ccc([C@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7291987	363.858	UDALFFFEVXDIPY-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106783
Clc1ccc(CN(C(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7623849	363.858	CIIMJFDTQBLCBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106784
Clc1ccc(C(NC(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_78469341	363.858	UDALFFFEVXDIPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106785
Clc1ccc(C(=O)c2c3CCCc3sc2NC(=O)C(OC)C)cc1	MCULE-9886215171,EMOLS-id_48218496,PC-id_75404406	363.858	NSMQFKWYOAFMND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106786
Clc1c(CCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_17178943	363.858	DEURKDSLGSREHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106787
Clc1cc([C@@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_7623943	363.858	RGTUOLFDAWQRES-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-106788
Clc1cc([C@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_7623944	363.858	RGTUOLFDAWQRES-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106789
Clc1cc(C(NC(=O)COC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_78514144	363.858	RGTUOLFDAWQRES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106790
Clc1c([C@@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_7291990	363.858	ZQFKVQNZXFPSNG-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-106791
Clc1c([C@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_7291991	363.858	ZQFKVQNZXFPSNG-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106792
Clc1c(c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)ccc1)C	PC-id_8359106	363.858	AVITYSRJFIWTDX-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106793
Clc1c(c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)ccc1)C	PC-id_8359107	363.858	AVITYSRJFIWTDX-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-106794
Clc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)c(cc1)C	PC-id_8359281	363.858	MRYIFDJTVITDCS-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106795
Clc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)c(cc1)C	PC-id_8359283	363.858	MRYIFDJTVITDCS-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-106796
Clc1c(CNC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_8359181	363.858	NYNQXDYMLSMBMD-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-106797
Clc1c(CNC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_8359188	363.858	NYNQXDYMLSMBMD-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106798
Clc1c(c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc1)C	PC-id_78674817	363.858	AVITYSRJFIWTDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106799
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)c(cc1)C	PC-id_78674860	363.858	MRYIFDJTVITDCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106800
Clc1c(C(NC(=O)COC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_78469342	363.858	ZQFKVQNZXFPSNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106801
Clc1c(CNC(=O)C(OC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_78674839	363.858	NYNQXDYMLSMBMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106802
CO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2	PC-id_97194054,ZINC22_95364793	363.858	NSMQFKWYOAFMND-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-106803
CO[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2	PC-id_97194055,ZINC22_95364794	363.858	NSMQFKWYOAFMND-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106804
Clc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C(=O)O)cc1	PC-id_43343863	363.86	BLDLMCUYXOBIRO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-106805
Clc1cccc(c1)C1=CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100384051	363.862	FHWREPPIFTUJBX-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-106806
Clc1ccc(C(NC(=O)C)CC(=O)Nc2sc3CCCc3n2)cc1	PC-id_51315212	363.862	DSJQMXLTUZDGOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106807
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCC)cc1	PC-id_16947359	363.862	HJWZNALNBPLXSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106808
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NC(C)C)cc1	PC-id_16947360	363.862	JBJHIYZOONDNEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106809
CN(CC(=O)N1CCc2c1cc(s2)C(=O)Nc1ccc(cc1)Cl)C	PC-id_97524462	363.862	BCUXPPLICWQJQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106810
O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc2c(s1)CCC2	PC-id_25550926,MCULE-6208175201,ZINC22_12849527,CoCoCo_4164110,EMOLS-id_24130377	363.862	YGVCZOKXDSJYFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106811
Clc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C(=O)N)cn1	PC-id_61218123	363.863	XHCKVQSUXKRZBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106812
c
(=NC(=O)C2CCCN(c3ccc(nn3)Cl)C2)/sc2c(CCC2)[nH]1	MCULE-1889511228,EMOLS-id_46567413,STOCK7S-35543,PC-id_60181147,EMOLS-id_44214307	363.865	AVAMNKHHFDWWCC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-106813
c1(sc2c(CCC2)n1)NC(=O)C1CCN(CC1)c1ccc(nn1)Cl	EMOLS-id_323404230,MCULE-3910035228	363.865	OZGBZLHLGUBRCD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-106814
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN(c2ccc(Cl)nn2)C1	ZINC22_48032408,PC-id_94162895	363.865	AVAMNKHHFDWWCC-JTQLQIEISA-N	00000010100010100001100010000000000000000000000000000000	25-01-106815
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN(c2ccc(Cl)nn2)C1	ZINC22_48032410,PC-id_94162896	363.865	AVAMNKHHFDWWCC-SNVBAGLBSA-N	00000010100010100001100010000000000000000000000000000000	25-01-106816
c1(CN(C)Cc2cc(OCC)c(c(Cl)c2)OCC)[nH]nc2CCCc12	MCULE-8429491449,PC-id_46997849,EMOLS-id_31623809,ZINC22_55386008	363.882	XQJLMBBKRYCCEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106817
CCCCN1/C(=C/C(=O)c2cc(Cl)ccc2OC)/SC2=C1CCC2	SCHEMBL4781237,PC-id_24954633	363.901	HQBFKCPYVARISI-UNOMPAQXSA-N	00000011000000110001000010000000000000000000000000000000	25-01-106818
Clc1cc(C(=O)C=C2SC3=C(N2CCCC)CCC3)c(OC)cc1	PC-id_69187130	363.901	HQBFKCPYVARISI-UHFFFAOYSA-N	00000011000000110001000010000000000000000000000000000000	25-01-106819
Clc1ccc(s1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109873	363.905	FVYYABLLNQBWEN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-106820
Clc1cnccc1OCC1CCN(Cc2nc3CCCc3s2)CC1	EMOLS-id_324557633,MCULE-8147737258,ZINC22_1889108785	363.905	LJRWDDGUYAGUHI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-106821
C1C2=C(CN1NC(=O)N)NN=C2NC(=O)C3=CC(=CC=C3)Br	PC-id_153863658	364.028	GQEWMRBDQWUNSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106822
COC1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)C2=CC3=C(S2)CCC3	PC-id_154807150	364.065	DVMMHRBUWWMKPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106823
C1CC2=C(C(=C(N2C1)C(=O)C(=O)CC3(CCOCC3)C#N)Cl)C(=O)O	PC-id_165061297	364.083	RGCNJHMZZWFZRU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-106824
Brc1cnc(c(c1)NC1CCc2c1cc(s2)Cl)Cl	PC-id_114051953	364.088	XKBAJQLHIOJPST-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-106825
Clc1cc2c(s1)CCC2Nc1cnc(c(c1)Br)Cl	PC-id_114050309	364.088	MAYBDPHXWRJFRM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-106826
CNC(=O)NC1CCC2=C(N(C=C12)C)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_149768883	364.11	BGUBYSNUVACJBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106827
CN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=CN=CC=C4)[N+](=O)[O-])C=N1	PC-id_161061766	364.128	BSRRESFNWDIJQL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-106828
CN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=CN=CC=C4)[N+](=O)[O-]	PC-id_161061765	364.128	LVGOTJUWVASIBW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-106829
CB(C(C(C)(C)C)B(N1c2ccnn2C(C1C)(C)C)C)Nc1ccccc1	PC-id_144358368	364.143	KAAGFTXGAADMOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106830
CC1=NC2=C(N1C)CN(C2)C(=O)NC3=C(C=CC(=N3)C4=CC=C(C#C4)F)N	PC-id_155171373	364.145	WGOVWQFCMIHDQY-UHFFFAOYSA-N	00000010100001101001100010000000000000000000000000000000	25-01-106831
CC(=O)CC1=C(C2=C(S1)C(OC2(C)C)(C)C)C(=O)O/N=C(C3CC3)/N	PC-id_160990086	364.146	TUMUBTFFLCEOFI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-106832
C1C2=C(CN1CCC3=CC=CC=C3)NN=C2C(C4=CC=CC=C4F)C(=O)N	PC-id_153863721	364.17	WMAOPQLFUFZQOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106833
C1C2=C(CN1CCC3=CC=CC=C3)NN=C2C(C4=CC(=CC=C4)F)C(=O)N	PC-id_153863722	364.17	NOUOVYUWRGIGTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106834
C1C2=C(CN1CCC3=CC=CC=C3)NN=C2C(C4=CC=C(C=C4)F)C(=O)N	PC-id_153863723	364.17	SJFKKVNOQPJMTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106835
CC1(C2=C(CN1CC3=CC=C(C=C3)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164615191	364.17	NSKQTMBVFNGYQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106836
CC1(C2=C(CN1CC3=CC(=CC=C3)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164619733	364.17	SNLGOTGWGWMGRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106837
CC1(C2=C(CN1CC3=CC=CC=C3F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164628475	364.17	PXOVGNIUOWCANK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106838
Brc1cc(NC(=O)c2cn3c(n2)CCC3)c(c(c1)C(=O)O)C	EMOLS-id_319131134	364.194	VTAADPQRNRLDDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106839
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)Br)CC	EMOLS-id_24584479,MCULE-1102787851,PC-id_42652961,STOCK6S-74221	364.197	PAJNGKBTDUWMJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106840
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2	PC-id_29139778,ZINC22_20745122	364.197	PAJNGKBTDUWMJS-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-106841
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2	ZINC22_20745121,PC-id_29139777	364.197	PAJNGKBTDUWMJS-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106842
n12ncnc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O	MCULE-5413224732	364.206	WJIHKEZCCFNHJK-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-106843
n12ncnc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O	MCULE-7505072376	364.206	AEHZWHUXGKEHFJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-106844
C=CCOc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O	ZINC22_256055329,PC-id_117588426	364.217	BWBFIOJTNWLMAG-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106845
n12ncnc1sc(=Cc1cc(Br)ccc1OCC=C)c2=O	MCULE-3398500669	364.217	BWBFIOJTNWLMAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106846
N#Cc1ccc(c(c1)Br)Nc1nc2c(s1)CCC2C(=O)O	PC-id_107794743	364.217	HHGGHXGFVDDLJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106847
c1(CNC(=O)c2cc(OC)ccc2Br)c2CCCc2nn1C	MCULE-3741109076,EMOLS-id_53884613,ZINC22_225817463,PC-id_91819372	364.237	XMHXSVGNFWATMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106848
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2Br)OC)n1	MCULE-5844953685,EMOLS-id_331038217	364.237	SESHIDIQVUQONZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106849
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(OC)ccc2Br)n1	EMOLS-id_331037961,MCULE-6590126299	364.237	OJNYWENIZLZHDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106850
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1Br)OC	MCULE-6607977516,EMOLS-id_331020211	364.237	SETZPCARAKCCEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106851
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(OC)ccc1Br	EMOLS-id_331019955,MCULE-1385739812	364.237	LRSOWXSBPHIOAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106852
Brc1ccc(cc1)C(C(=O)NCc1nnc2n1CCC2)(N)C	MCULE-1570825046,PC-id_121794803,EMOLS-id_302857798	364.24	XHHXZBJPPDMLON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106853
Brc1ccc(C(NC(=O)NCc2n3CCCc3nn2)C)cc1	EMOLS-id_36261077,PC-id_53526989,MCULE-2382432378	364.24	WMGWQTMTLKZWAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106854
Cc1cc(Br)cc(C)c1NC(=O)NCc1nnc2n1CCC2	PC-id_52306933,MCULE-6521769870,ZINC22_48466675,EMOLS-id_36636531	364.24	QQFSNVUNPQOREP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106855
CC1CC(c2n1ncn2)NCCNC(=O)c1ccc(cc1)Br	EMOLS-id_319987742,MCULE-1938021057	364.24	SXFWCMBHIQPMRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106856
C[C@H](NC(=O)NCc1nnc2n1CCC2)c1ccc(Br)cc1	PC-id_95290278,ZINC22_69489312	364.24	WMGWQTMTLKZWAF-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-106857
C[C@@H](NC(=O)NCc1nnc2n1CCC2)c1ccc(Br)cc1	PC-id_95290279,ZINC22_69489314	364.24	WMGWQTMTLKZWAF-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106858
Brc1nnn(c1S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_106467882	364.242	ISXXSFIGLXBJSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106859
FC(F)(F)c1cc(C(=O)c2nnn3CCN(c23)C)cc(c1)C(F)(F)F	PC-id_25050555	364.246	IJHQBWZKVRKKRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106860
Brc1ccc(C=Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_23826346	364.257	OZCHPUAGLMYGSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106861
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOCC3)C(=NN2)NC)C	PC-id_164707947	364.259	VRAOLAFZTSMFJH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106862
Brc1cc(n(CC)c1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_60959084	364.26	AHNBZBGQOFYEIW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-106863
CC(C)(C)c1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324852962	364.26	QTPCDURGPDYOOZ-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106864
CC(C)Cc1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324855023	364.26	BKONDUXAQCCHTB-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106865
CC(C)(C)c1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324851941	364.26	IFVKLQGIPSGYIZ-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106866
CC(C)Cc1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324858082	364.26	HANYUDWZFFWVGA-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106867
C#CCn1ncc(c(c1=O)Br)NCc1sc2c(c1)CCC2	PC-id_114434868	364.26	QWYWWBAYWDHZFO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106868
n12c(=O)c(=Cc3ccccc3Br)sc1nc(C(C)(C)C)n2	MCULE-4838640946	364.26	IFVKLQGIPSGYIZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106869
n12c(=O)c(=Cc3ccc(cc3)Br)sc1nc(C(C)(C)C)n2	MCULE-6332781534	364.26	QTPCDURGPDYOOZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106870
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CC(C)C	MCULE-1125723647	364.26	HANYUDWZFFWVGA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106871
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)CC(C)C	MCULE-8549288252	364.26	BKONDUXAQCCHTB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106872
Clc1ccc(c(c1)Cl)C1(CCC1)CNC(=O)c1cnn2c1CCC2	EMOLS-id_318345579	364.269	XUYIVQBPXNUORL-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-106873
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)c(Cl)cc(N)c1	PC-id_61507923	364.271	USJMUQWURNNVQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106874
Clc1c(S(=O)(=O)Nc2sc3CCCc3n2)c(N)cc(Cl)c1	PC-id_61508366	364.271	GJIFCJBSYDNQJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106875
Nc1c(Cl)ccc(c1Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_116061335	364.271	LCXBALQERTXTID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106876
CCCSCC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	MCULE-9556826667,EMOLS-id_258101748	364.278	PMUHCPSQXKIQQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-106877
ClCCCC(=O)N(c1nn(c2c1CSC2)C(=O)CCCCl)C	SCHEMBL18372460	364.291	OGLRPXUEZITXTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106878
BrCC(c1ccccc1)(NC(=O)c1sc2c(c1)CCC2)C	PC-id_105060147	364.3	WVNNXOFBETYEDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106879
BrCC(NC(=O)c1sc2CCCc2c1)Cc1ccccc1	PC-id_81749517	364.3	GAFRHKSCNGETAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106882
CS(=O)(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O	PC-id_135441704	364.3	JZFJQPQKCPZTCV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-106883
CS(=O)(=O)C(C1=Nc2n[nH]c(=N)n2C1=O)C1=Nc2n[nH]c(=N)n2C1=O	LI_75526,PC-id_343483,NSC382938,CoCoCo_5637010,ZINC22_104247811	364.3	FVEVBOKZCLAIGB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-106884
Fc1ccc(cc1)COC(=O)N(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_23081422,SCHEMBL5545459	364.328	JCFSPIMYSUXNEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106885
C1C(CN1C(=O)c1ccc(o1)[N+](=O)[O-])C(=O)Nc1c2CSCc2no1	PC-id_90512326	364.333	LELIHGJFCLCEFN-UHFFFAOYSA-N	00001010101000000001000010000000000000000000000000000000	25-01-106886
COCc1nc2s/c(=Cc3cc(OC)c(O)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324902406	364.333	TZPWLGQCAWGGEP-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106887
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COC	MCULE-3379043543	364.333	TZPWLGQCAWGGEP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106888
Brc1ccc(CC(NCCC)c2sc3c(CCC3)c2)cc1	PC-id_63528256	364.343	UNIVIQRLDFGDEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106889
Brc1c(cc(C(NCC)c2sc3c(CCC3)c2)c(c1)C)C	PC-id_64184589	364.343	GXTUDWJBLUGSNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106890
Brc1cc(CC(NCCC)c2sc3c(CCC3)c2)ccc1	PC-id_63527084	364.343	MZBSXVOGUHRJEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106891
CCCNC(c1sc2c(c1)CCC2)Cc1ccccc1Br	PC-id_115787043	364.343	CORYCPPDJSAWEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106892
c12CN(Cc1nn(CC(F)F)c2C(=O)NC)C(=O)OCc1ccccc1	EMOLS-id_324354400,MCULE-9715892072	364.347	ZBGIUCISIWIULU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106893
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(cc2F)F)n1	MCULE-2548376637	364.347	YTMBKZLTYXCGHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106894
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(cc2F)F)n1	MCULE-7538085213,EMOLS-id_316335922	364.347	YTMBKZLTYXCGHX-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-106895
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1F)F)CNC2(C)C	PC-id_58015598,SCHEMBL1206304	364.347	CIHCCAVWQSSJNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106896
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	PC-id_7238980	364.348	SIHRMHNTDCEISK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106897
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1	PC-id_4377233	364.348	DCFBDGBWAVIOPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106898
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(F)cc1	PC-id_4545533	364.348	STWSBNTXWOXMOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106899
CC[N+]1(c2c(C(=N1)NC(=O)c1ccco1)sc(c2)C(=O)OC)C(=O)O	PC-id_91483348	364.353	WRDSKKVDIIABNO-UHFFFAOYSA-O	00000011101000000001000010000000000000000000000000000000	25-01-106900
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)NC1CC1)Cc1ccccc1	MCULE-9957611873,EMOLS-id_324354663	364.365	AALCVMOCXPSSBZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106901
C1Cc2c(C1)[nH]nc2C(=O)NC1CCN(C1)c1ccccc1C(F)(F)F	PC-id_136532639,MCULE-3079100203,EMOLS-id_316889117	364.365	CTDCUPJZLFBKIT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106902
C1CN(CCC1c1ccccc1C(F)(F)F)C(=O)c1n[nH]c2c1CNC2	SCHEMBL17505293,PC-id_86268141	364.365	AVEKSUXNNMISPB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-106903
O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1n[nH]c2c1CCC2	ZINC22_681323665	364.365	CTDCUPJZLFBKIT-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106904
O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1n[nH]c2c1CCC2	ZINC22_681323666	364.365	CTDCUPJZLFBKIT-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-106905
c1(NC(=O)c2ccc(c(OC)c2)OC(F)F)sc2c(CCC2)c1C#N	PC-id_4765872,EMOLS-id_8850377,CoCoCo_5853416,ZINC22_2739458,MCULE-7333189272,TIMTEC551085	364.366	XMNQFBQSAGTAPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106906
FC(CN1CCOCC1C(=O)NS(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_110420986	364.368	MJKSRPQDIKXDQA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106907
CCOc1ncc(c(n1)Nc1nn(c2c1CNC2(C)C)C(=O)OCC)F	SCHEMBL7013126,PC-id_59333938	364.375	PQRSTOZGJRHOQC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106908
COCc1ncc(c(n1)Nc1nn(c2c1CNC2(C)C)C(=O)OCC)F	SCHEMBL3326472,PC-id_68596963	364.375	JBQINRBNHIATSF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-106909
c12sc(NC(=O)Cn3ccc(N(=O)=O)n3)c(C(=O)OCC)c1CCC2	TIMTEC82678,ZINC22_1429935,CoCoCo_564017,MCULE-4526066619,PC-id_1509763,EMOLS-id_2513507	364.376	BPUPHORISKUAQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106910
c1(NC(=O)c2cc(OC)c(cc2N(=O)=O)OC)n(C)nc2CSCc12	MCULE-4369847388,EMOLS-id_334568112	364.376	FJNCDCFRVGSUOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106911
c1(NC(=O)C(C)n2ncc(N(=O)=O)c2)sc2c(CCC2)c1C(=O)OC	MCULE-3669375627,TIMTEC484278,EMOLS-id_6802320,PC-id_4915854	364.376	UPUDBOFNQAVGIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106912
c1(NC(=O)Cn2ncc(N(=O)=O)c2)sc2c(CCC2)c1C(=O)OCC	ZINC22_1067494,EMOLS-id_2011092,BAS-24804342,MCULE-3881560567,CoCoCo_434308,CHEMBL1452961,ChEMBL-DNDi_CHEMBL7972718,BindingDB_PC-id_1256349,PC-id_1256349,ChEMBL-DNDi_CHEMBL1452961,BindingDB-id_136287	364.376	POVBSAUKZRXNRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106913
COC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCC2	CoCoCo_1979379,PC-id_1503050,ZINC22_1421991	364.376	UPUDBOFNQAVGIS-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106914
COC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCC2	ZINC22_1421990,CoCoCo_1979378,PC-id_1503049	364.376	UPUDBOFNQAVGIS-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106915
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1=NNC(=O)CC1)C(=O)N	PC-id_4571645	364.376	BITGYOTXNRSPBI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-106916
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)Cc1ccccc1	MCULE-3824667640	364.378	ZPGFTXFYJUAKCB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106917
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)Cc1ccccc1	MCULE-3939545038	364.378	WQYNDVNMFOSJBX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106918
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)Cc1ccccc1	MCULE-7199856176	364.378	ASOZRIDFMQZXAB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106919
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324835579	364.378	WQYNDVNMFOSJBX-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106920
[O-][N+](=O)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324835827	364.378	ZPGFTXFYJUAKCB-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106921
[O-][N+](=O)c1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324834552	364.378	ASOZRIDFMQZXAB-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-106922
c1(N(=O)=O)nnn(C/C(=N/c2sc3c(CCC3)c2C(=O)OCC)/C)n1	CoCoCo_1937441,EMOLS-id_26816021,TIMTEC123258,ZINC22_8826745,PC-id_9600160,MCULE-4899411852	364.38	DJCOTHLUUCBEOZ-OVCLIPMQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106923
c1(N(=O)=O)nnn(CC(=Nc2sc3c(CCC3)c2C(=O)OCC)C)n1	PC-id_3294274,MCULE-9099290986	364.38	DJCOTHLUUCBEOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106924
CCOC(=O)c1c(/N=C(Cn2nnc(n2)[N+](=O)[O-])/C)sc2c1CCC2	CoCoCo_1937442	364.38	DJCOTHLUUCBEOZ-NVNXTCNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106925
CC(=O)Nc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68439822,SCHEMBL2916036	364.38	JGBYQIJXISDQKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106926
s1c2c(CCC2)c(c1NC(=C)Cn1nc(nn1)[N+](=O)[O-])C(=O)OCC	PC-id_5069644	364.38	XKHYFJCJHLNPPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106927
O=C(N1CCC(CC1)(O)C(F)(F)F)NCCc1nc2n(c1)CCS2	EMOLS-id_318289138	364.386	ZDNBFSPOKVERFN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-106928
S(=O)(=O)(NCC(c1nc2n(n1)N=C(/C/2=N/Nc1ncnnc1)C)C)C	PC-id_23542681	364.386	OFMAFLLKMIOCLS-GRSHGNNSSA-N	00000011100000100001000010000000000000000000000000000000	25-01-106929
S(=O)(=O)(NCC(c1nc2n(n1)N=C(C2=NNc1ncnnc1)C)C)C	PC-id_74061311	364.386	OFMAFLLKMIOCLS-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-106930
CCNC(=NCc1ccccc1OC(F)F)NCc1nnc2n1CCC2	PC-id_111020583	364.393	XCNCFENHQXCTMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106931
CN=C(N(Cc1ccc(cc1)OC(F)F)C)NCc1nnc2n1CCC2	PC-id_111288279	364.393	ZBGKNDXTWBLQKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106932
CN=C(NCc1nnc2n1CCC2)NCc1cc(C)ccc1OC(F)F	PC-id_109660751	364.393	RRDFWONWZXNRCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106933
O=C(CC1(C=c2c(=C1)ncn2C(=O)OC(C)(C)C)C(=O)O)OC(C)(C)C	PC-id_23358973,SCHEMBL8901556	364.393	CYOOTXYKZSYJGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106934
Cn1nc(C(=O)NC2CC2)c2CN(Cc12)S(=O)(=O)c1ccccc1F	EMOLS-id_207862869,MCULE-3837440399	364.395	VEBMGHVNXFDZJP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-106935
Fc1cc(ccc1N1CCCC1=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100967800	364.395	DPQIDHKRGKRLAO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106936
s1c2CN(Cc3ccc(F)cc3)C(=O)c2nc1NC(=O)NCCOC	PC-id_53188489	364.395	FTDIWEJJLRQVLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106937
s1c2CCCc2cc1C(=O)OCC(=O)C1C(=[N+](C(=O)N(C1=O)C)C)N	PC-id_78327002	364.396	DZYKYFUTJHGIES-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-106938
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccoc2C)n1	MCULE-2792190787	364.398	BTSQWEJWBGRCBE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106939
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccoc2C)n1	EMOLS-id_316332856,MCULE-6720859605	364.398	BTSQWEJWBGRCBE-HNNXBMFYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106940
c1(C(=O)NCc2ccc(cc2)OC)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-6843337576,EMOLS-id_316254200	364.398	GFNJYYCRWTZEEQ-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106941
c1(C(=O)NCc2ccccc2OC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316326706,MCULE-3217941833	364.398	QACYDUQGIUSIAE-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106942
c1(C(=O)NCc2ccc(cc2)OC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-6520835759,EMOLS-id_316254202	364.398	IQTPFHFNNHXJKV-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106943
c1(C(=O)NCc2ccc(cc2)OC)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-9325037171	364.398	GFNJYYCRWTZEEQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106944
c1(C(=O)NCc2ccc(cc2)OC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-7894156911	364.398	IQTPFHFNNHXJKV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106945
c1(C(=O)NCc2cccc(OC)c2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-8486848648,EMOLS-id_316323133	364.398	SNISDFGNFZDFGL-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106946
c1(C(=O)NCc2cccc(OC)c2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-4346408676	364.398	SNISDFGNFZDFGL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106947
Cc1ccc(C(=O)NC[C@H]2CCc3ncc(C(=O)Nc4ccccc4)n23)o1	ZINC22_1565554031	364.398	PJGNDTWTIZSLAE-OAHLLOKOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106948
Cc1ccc(C(=O)NC[C@@H]2CCc3ncc(C(=O)Nc4ccccc4)n23)o1	ZINC22_1614940496	364.398	PJGNDTWTIZSLAE-HNNXBMFYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106949
Cc1ccc(o1)C(=O)NCC1CCc2ncc(C(=O)Nc3ccccc3)n12	EMOLS-id_313760463	364.398	PJGNDTWTIZSLAE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-106950
CN1CC[C@@](C1=O)(O)C#Cc1cccc(c1)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL18039326,PC-id_122508446	364.398	HAKUSNYNRRLOGY-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106951
CNC(=O)c1ccc(c2ccc(C(=O)NCc3n[nH]c4c3CCC4)cc2)o1	MCULE-7404693597,ZINC22_426504614,PC-id_121502953,EMOLS-id_177426419	364.398	PTSJRHVRKIDPJY-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-106952
COc1ccccc1CNC(=O)c1cc2n(n1)CC(C2)Oc1ccncc1	MCULE-3050729348	364.398	QACYDUQGIUSIAE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106953
COc1ccc(Nc2ccc(C(=O)N3CCn4ccnc34)cc2)c(OC)c1	MCULE-3281313155,ZINC22_1631503173,EMOLS-id_320376988,PC-id_145900582	364.398	BMCPJFJOGJQHLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106954
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccn(C)n2)n1	MCULE-3210149524	364.401	OZDPAWYIUMJQCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106955
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cn(cn2)C)n1	MCULE-4715525374	364.401	IEPRBGHSUDXVQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106956
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cncn2C)n1	MCULE-6004041769	364.401	PAYFIUNYEDYJEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106957
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cnn(C)c2)n1	MCULE-5878420074	364.401	HBCYXJMCYFXZGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106958
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccn(C)n2)n1	EMOLS-id_316330802,MCULE-9879811375	364.401	OZDPAWYIUMJQCV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106959
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cncn2C)n1	EMOLS-id_316330807,MCULE-5239178915	364.401	PAYFIUNYEDYJEA-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106960
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cn(cn2)C)n1	MCULE-1149491103,EMOLS-id_316330808	364.401	IEPRBGHSUDXVQS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106961
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cnn(C)c2)n1	MCULE-2004941259,EMOLS-id_316331314	364.401	HBCYXJMCYFXZGW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106962
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cn3cccn3)C2)n1	EMOLS-id_316332850,MCULE-1217483270	364.401	YBVKSWGJUYRNOX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106963
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cn3ccnc3)C2)n1	EMOLS-id_316332855,MCULE-3174030700	364.401	FYMFKMHQFYVTHO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106964
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cn(cn1)C	MCULE-1324656999	364.401	SEHIJKZZPAOOJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106965
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cn(cn1)C	MCULE-4625205316,EMOLS-id_316318515	364.401	SEHIJKZZPAOOJP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106966
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cccn1C	EMOLS-id_316318524,MCULE-2600420283	364.401	KWRRASAZRUVXMK-AWEZNQCLSA-N	00000010110000101001000010000000000000000000000000000000	25-01-106967
Cc1ccc(Oc2ccc(NC(=O)NCc3nnc4n3CCC4)cn2)cc1	MCULE-5304217876,PC-id_51116667,EMOLS-id_31982860,ZINC22_48413545	364.401	GYFOOWPVDXCMLM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106968
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(=O)n(Cc2ccccc2)n1	MCULE-1694787462,PC-id_45887276,EMOLS-id_30252443,ZINC22_40092639	364.401	AXAONOXODSNNMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106969
COc1ncnc(C)c1c1cccc(c1)C(=O)NCc1nnc2CCCn12	ZINC22_584896999,MCULE-1868741235,EMOLS-id_177456617	364.401	CJOSDBGQNJWPGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-106970
O=C(c1cnn2c1CC(C2)NC(=O)c1cccn1C)NCc1cccnc1	MCULE-9682913414	364.401	KWRRASAZRUVXMK-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-106971
O=C(Cn1cncc1)NC1Cn2c(C1)cc(n2)C(=O)NCc1ccccc1	MCULE-8201834556	364.401	FYMFKMHQFYVTHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106972
O=C(NCc1n2CCCc2nn1)c1c(Nc2c(OC)cccc2)nccc1	PC-id_52550856	364.401	HTLJMKLEPXAVSH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-106973
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2c(s1)CCC2	ZINC22_29979314,MCULE-3439496195,PC-id_37272520,EMOLS-id_50290040	364.41	XZCMGQDAJQDXTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-106974
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)Cc1ccc(cc1)F	PC-id_90743872	364.416	PGCXGZXBCMDLHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106975
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)Cc1cc(ccc1)F	PC-id_91296209	364.416	HWRVEZDPLRDFME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106976
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)Cc1ccccc1F	PC-id_91471724	364.416	UEQOGJFCKVDYBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106977
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCC3)NC(=O)N[C@@H]1C	PC-id_7873930,ZINC22_6085671,CoCoCo_2840897	364.416	UTYKHKQFYZCMQJ-SECBINFHSA-N	00000010100011000001000010000000000000000000000000000000	25-01-106978
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCC3)NC(=O)N[C@H]1C	ZINC22_6085672,CoCoCo_2840896,PC-id_7873929	364.416	UTYKHKQFYZCMQJ-VIFPVBQESA-N	00000010100011000001000010000000000000000000000000000000	25-01-106979
CCOC(=O)C1=C(COC(=O)c2sc3c(c2)CCC3)NC(=O)NC1C	PC-id_4876614,EMOLS-id_3312481,MCULE-5085127198	364.416	UTYKHKQFYZCMQJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-106980
COc1ccc(cc1)S(=O)(=O)CCCC(=Nc1onc2c1CCC2)O	Chemmine_45372,PC-id_16942403,CoCoCo_5123864	364.416	SWSSSPQPOOHJEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106981
Fc1cccc(c1)CC(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68442016,SCHEMBL2922521	364.416	JLWXITXLJRPOTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106982
Fc1ccc(CC(=O)Nc2n[nH]c3CN(Cc23)C(c2ccccc2)C)cc1	SCHEMBL2919425,PC-id_68440941	364.416	PYLIJBJCTJVBDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106983
Fc1ccc(CC(=O)Nc2n[nH]c3CN(Cc23)CCc2ccccc2)cc1	SCHEMBL2919428,PC-id_68440944	364.416	INDMDUVYNCSXJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106984
Fc1cc(CC(=O)Nc2n[nH]c3CN(Cc23)C(c2ccccc2)C)ccc1	SCHEMBL2922520,PC-id_68442015	364.416	VQQQWOPNMOSZDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106985
Fc1c(CC(=O)Nc2n[nH]c3CN(Cc23)C(c2ccccc2)C)cccc1	PC-id_68441159,SCHEMBL2920047	364.416	LTDPGLNLFHPTIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106986
Fc1c(CC(=O)Nc2n[nH]c3CN(Cc23)CCc2ccccc2)cccc1	PC-id_68441161,SCHEMBL2920050	364.416	WRJQRPQPFDMGJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106987
c1(CNS(=O)(=O)c2ccc(cc2)NC(=O)OC)c2CCCc2nn1C	PC-id_91819429,ZINC22_225819295,EMOLS-id_53884727,MCULE-4540191151	364.419	VOCJJPVAKYECJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106988
c1(CNS(=O)(=O)c2ccc(cc2)OCC(=O)N)c2CCCc2nn1C	EMOLS-id_53884737,ZINC22_225819441,MCULE-2465887483,PC-id_91819434	364.419	DFKNEMSZBFGQBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106989
Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)Cc2nnc3n2CCC3)c1C	CoCoCo_4491306,PC-id_25659313,EMOLS-id_16699016,MCULE-9670401469,ZINC22_12998792	364.419	OBOUAFPUCCKJSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106990
CC[C@@]1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	CoCoCo_3156229,PC-id_2126574,ZINC22_2662543	364.419	FNFQXHMKSUJOJW-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106991
CC[C@]1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	CoCoCo_3156230,PC-id_2126573,ZINC22_2662542	364.419	FNFQXHMKSUJOJW-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106992
CCC1(C)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(=O)N)C1=O	BindingDB-id_75168,EMOLS-id_3239535,BindingDB_PC-id_2998082,MCULE-7912282892,CHEBI:114875,PC-id_2998082,CHEMBL1499638	364.419	FNFQXHMKSUJOJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-106993
CCC(=O)NCc1cc(ccc1OC)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319603940	364.419	LGAWXNTZZPHNEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-106994
C[C@H]1OC(=O)[C@H]1[C@]1(C)N=C(C([C@@H]1C)SC1C[n+]2n(C1)cnc2)C(=O)[O-]	SCHEMBL21092447,PC-id_138714999	364.419	VLPQCXGLNDWXGU-SQWOCYPTSA-N	00001011100000000001100010000000000000000000000000000000	25-01-106995
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])S[C@H]1CCn2c1[n+](C)cn2)O	PC-id_101657585	364.419	UYMMFVAAEOITSP-KAMPLNKDSA-N	00001011100000000001001010000000000000000000000000000000	25-01-106996
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])S[C@@H]1CCn2c1[n+](C)cn2)O	PC-id_101657587	364.419	UYMMFVAAEOITSP-ISUQUUIWSA-N	00001011100000000001001010000000000000000000000000000000	25-01-106997
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])S[C@H]1CC[n+]2c1n(C)nc2)O	PC-id_101659459	364.419	GBXDWSDUTDAGKQ-KAMPLNKDSA-N	00001011100000000001001010000000000000000000000000000000	25-01-106998
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])S[C@H]1Cn2c(C1)[n+](cn2)C)O	PC-id_101657581	364.419	IDZQHHSNDXIHML-VFWMFTPISA-N	00001011100000000001001010000000000000000000000000000000	25-01-106999
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])S[C@@H]1Cn2c(C1)[n+](cn2)C)O	PC-id_101657583	364.419	IDZQHHSNDXIHML-SXLYUPOASA-N	00001011100000000001001010000000000000000000000000000000	25-01-107000
CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCn2c1ncc2	EMOLS-id_279043960	364.419	YLBLFFCDVAQMLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107001
O=C(c1nn2c(c1)OCC2)Nc1cc(cc(c1C)C)S(=O)(=O)N(C)C	EMOLS-id_99565909	364.419	WNCIBNXGYZFTAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107002
S1Cc2c(nn(c2NC(=O)COCC)CC(=O)NCc2occc2)C1	PC-id_44053261	364.419	CXHYSGPUZRFVBD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-107003
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)[O-])C1CC[n+]2c1n(nc2)C	PC-id_85121354	364.419	GBXDWSDUTDAGKQ-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-107004
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)[O-])C1Cc2n(nc[n+]2C)C1	PC-id_10090169	364.419	IDZQHHSNDXIHML-IECIGANESA-N	00001011100000000001001010000000000000000000000000000000	25-01-107005
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)[O-])C1CC[n+]2c1n(nc2)C	PC-id_10361408	364.419	GBXDWSDUTDAGKQ-MSLOPDLNSA-N	00001011100000000001001010000000000000000000000000000000	25-01-107006
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)[O-])C1CCn2nc[n+](c12)C	PC-id_10090171	364.419	UYMMFVAAEOITSP-MSLOPDLNSA-N	00001011100000000001001010000000000000000000000000000000	25-01-107007
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(cc1)C(=O)OCC	PC-id_16588362	364.419	RHNYXCXHLDMBGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107008
c1(NC(=O)C2=NN(C(=O)CC2)c2ccccc2)sc2c(CCC2)c1C#N	STOCK6S-05208,ZINC22_5487538,MCULE-9963856906,EMOLS-id_4732409,PC-id_7711083	364.421	NHFRASIKHFHKGC-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-107009
Cc1ccc(nc1)NC(=O)c1cc2c(s1)CCN2C(=O)c1cccnc1	PC-id_97524472	364.421	KANFXAFUFQJSQC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107010
COc1cn(nc1C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1	EMOLS-id_48768801,MCULE-3943759140,PC-id_75479041	364.421	AJKIQEMIPFVLJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107011
O=C(c1sc2c(c1)N(CC2)C(=O)c1cccnc1)NCc1ccccn1	PC-id_97407182	364.421	JIFBQWZNWHPIPL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107012
O=C(c1sc2c(c1)N(CC2)C(=O)c1cccnc1)NCc1ccncc1	PC-id_97524468	364.421	FSHJBYSRBFUNSZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107013
O=C(Nc1nc2C(=O)N(Cc3ccccc3)Cc2s1)Nc1ccccc1	PC-id_53188466,EMOLS-id_33030396,MCULE-8202591353	364.421	JYHKAFZHWIGZMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107014
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCCc1ncccc1	PC-id_22976049	364.421	PQLGNLHMENDIJO-UHFFFAOYSA-N	00000010110000101000000010000000000000000000000000000000	25-01-107015
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)S(=O)(=O)c1cn(cn1)C	MCULE-8047707397,EMOLS-id_207863004	364.423	MEVZSDQPRLHYQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107016
Cc1ccc(NS(=O)(=O)C)cc1NC(=O)NCc1nnc2CCCn12	ZINC22_96133808,EMOLS-id_49146905,MCULE-3829601222,PC-id_72852046	364.423	HKOVXNJMXLJIAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107017
Cn1cc(cn1)[C@H]1[C@@H](CCC(=O)N1)NS(=O)(=O)c1cnc2n1CCC2	PC-id_136581166	364.423	QYFDKGVMUHRMDS-ABAIWWIYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107018
O=C1C(CCCN1c1ccn(n1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100213618	364.423	RCAOPZVRSWPLNR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107019
O(Cc1ccccc1)CC1(COCc2ccccc2)Cc2c(C1)csc2	PC-id_101272647	364.5	JZWPBVAIRICZEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107200
O=C1C(CCN1c1cc(nn1C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100208938	364.423	RWBUWHMLUJYAOT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-107020
s1c2c(CCC2)c(c1NC(=O)CSc1nc([O-])c(nn1)C)C(=O)N	PC-id_44167004	364.423	YGDVONWXVSYKCS-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-107021
S(=O)(=O)(N(C)C)c1cc(NC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_55696341	364.423	AHNWHPVYAQPOII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107022
Cc1ccc(c2nnn(CC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1	MCULE-4500943197,PC-id_5300143,ZINC22_4744246,TIMTEC126030,CoCoCo_3646984,EMOLS-id_2584463	364.424	DMFCQHBQCIZMCZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107023
s1c2CCCc2c(c1NC(=O)Cn1nc(nn1)c1c(cccc1)C)C#N	PC-id_7602038	364.424	JGGAPUGKHNPTQJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107024
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OCC	PC-id_4748961	364.436	VRJCVLURZYXJNO-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-107025
s1c2c(CCC2)c(c1NC(=O)CC1(CCCC1)C(=O)[O-])C(=O)OCC	PC-id_25742986	364.436	YDVONANURUFSHU-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-107026
s1c2c(CCC2)c(c1NC(=O)CC1(CCCCC1)C(=O)[O-])C(=O)OC	PC-id_25738656	364.436	OLTQKJFZYGDIDZ-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-107027
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7302829	364.436	VRJCVLURZYXJNO-GHMZBOCLSA-M	00000010100010000000000010000000000000000000000000000000	25-01-107028
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7302830	364.436	VRJCVLURZYXJNO-WDEREUQCSA-M	00000010100010000000000010000000000000000000000000000000	25-01-107029
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7302831	364.436	VRJCVLURZYXJNO-MNOVXSKESA-M	00000010100010000000000010000000000000000000000000000000	25-01-107030
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7302832	364.436	VRJCVLURZYXJNO-QWRGUYRKSA-M	00000010100010000000000010000000000000000000000000000000	25-01-107031
CCCCCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(cc1)C#N	SCHEMBL7674713,PC-id_15485825	364.438	FQVQZUAELAUVBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107032
Fc1cccc(c1)N1CCN(C(C1)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100585705	364.438	YEAZCNLRAIHIAR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107033
c1(NC(=S)NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5951268,ZINC22_950460,MCULE-1973008499,PC-id_1188237,CoCoCo_6266421	364.439	BNNOKMYWZLAEOZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-107034
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(c(OC)c1)OC	CoCoCo_6400467,MCULE-3594489194,EMOLS-id_322628677	364.439	QXVFCRBRTMDWPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107035
Cc1cc(C)c(c(c1)C)NC(=O)c1sc2c(c1C)C(=O)NS2(=O)=O	CoCoCo_6775080	364.439	LHACOLYADRLXMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107036
Cc1ccsc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-3801562804,CoCoCo_3041050,PC-id_4666476,ZINC22_5967350,EMOLS-id_3431153	364.439	SMKMSTZZIQMOPS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107037
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)OC(=O)c1cccs1	PC-id_16346806,MCULE-1412663978,EMOLS-id_3634214	364.439	MFKODARMFXNBJV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107038
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)OC(=O)c1ccsc1	MCULE-3060057881,PC-id_16362416,EMOLS-id_3643716	364.439	LNRUHZOPRAXZNL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107039
CC(C(=O)Nc1sccc1C(=O)N)OC(=O)c1sc2c(c1)CCC2	PC-id_17395997,EMOLS-id_11893700,MCULE-8945275910	364.439	KVOGIUOQKFSJPA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107040
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1sccc1C(=O)N	PC-id_8359391,ZINC22_7258078,CoCoCo_4174575	364.439	KVOGIUOQKFSJPA-QMMMGPOBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107041
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1sccc1C(=O)N	ZINC22_7258087,CoCoCo_4174574,PC-id_8359400	364.439	KVOGIUOQKFSJPA-MRVPVSSYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107042
C[C@H](OC(=O)c1cccs1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9647946,PC-id_41157513,CoCoCo_4171243	364.439	MFKODARMFXNBJV-QMMMGPOBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107043
C[C@@H](OC(=O)c1cccs1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9647947,CoCoCo_4171242,PC-id_41157514	364.439	MFKODARMFXNBJV-MRVPVSSYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107044
C[C@H](OC(=O)c1ccsc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_9383483,CoCoCo_4183804,ZINC22_8256256	364.439	LNRUHZOPRAXZNL-QMMMGPOBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107045
C[C@@H](OC(=O)c1ccsc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_8256257,PC-id_9383484,CoCoCo_4183805	364.439	LNRUHZOPRAXZNL-MRVPVSSYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107046
CC(=O)c1cccc(c1)S(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4840359,CoCoCo_3541087	364.439	KFVKGAJYAOMJGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107047
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)C(=O)CC2	SCHEMBL16880087,PC-id_118211871	364.439	KIDGUOKMCMHZMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107048
COc1ccc(OC)c(c1)S(=O)(=O)Nc1sc2CCCc2c1C#N	CoCoCo_6400688,EMOLS-id_322627653,MCULE-2716597102	364.439	RJANGSRAFCQOJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107049
COCCNC(=O)c1cnc2CCC(CNC(=O)CC3(CCC3)OC)n12	EMOLS-id_313763520	364.439	JGMHEZXHTOMEFL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-107050
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CC1(OC)CCC1)CC2	ZINC22_1565553074	364.439	JGMHEZXHTOMEFL-CYBMUJFWSA-N	00001010100000000001000010000000000000000000000000000000	25-01-107051
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CC1(OC)CCC1)CC2	ZINC22_1614937739	364.439	JGMHEZXHTOMEFL-ZDUSSCGKSA-N	00001010100000000001000010000000000000000000000000000000	25-01-107052
O=C1c2c(nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)CC1	PC-id_10193788	364.439	UOJDBTKKECKDHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107053
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)C)cc1	PC-id_26872541	364.439	FUKSSDBOKWDEEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107054
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)C)ccc1	PC-id_27684307	364.439	ZUPGGCUSCORVIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107055
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C(=O)C	PC-id_26949441	364.439	WMBCSTMGPLBDOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107056
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1ccc(cc1)C(=O)C	PC-id_8474016	364.439	PVEUJALWEOFETI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107057
s1c2c(CCC2)c(c1NC(=O)c1sccc1)C(=O)NC(=O)OCC	PC-id_7521524	364.439	CSNQSFVDPZMCLM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107058
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(cc1)C)C(=O)N	PC-id_3878820	364.439	QFBKDUOGKMRZIT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107059
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccsc1)C(=O)N	PC-id_3671445	364.439	RILKZRBHPKBPSD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107060
s1c2c(CCC2)c(c1NC(=O)CSc1[n+]([O-])cccc1)C(=O)OC	PC-id_28607154	364.439	GPYVNMPJYKXTOP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107061
CC(C(=O)N1CC2(C1)c1ccccc1N(C2=O)Cc1[nH]c2c(n1)CCC2)C	SCHEMBL16812548,PC-id_118155404	364.441	MOXGTDRNUZBMSK-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-107062
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CCC1)OC(C)C	SCHEMBL17213853,PC-id_118479009	364.441	WPRITHQUCQRTQC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-107063
NC(=O)c1c(NC(=O)CSc2nnc(C3CC3)o2)sc2c1CCC2	EMOLS-id_18824805,MCULE-3282358858,PC-id_8385917,ZINC22_7288684,CoCoCo_4058085	364.443	ILDAWAJQIWQCDF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-107064
c1(cc(nn1c1ccccc1C)C)NC(=O)N(C)Cc1c2CCCc2[nH]n1	EMOLS-id_68935395,ZINC22_299798130,MCULE-9574764485,PC-id_118792680	364.444	PXFRBYNTALYSSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107065
c1(C(=O)N(C)Cc2cnn(c3ccccc3)c2)cc2n(C[C@@H](N(C)C)C2)n1	MCULE-5293196637,EMOLS-id_316327222	364.444	FQHOBFRCSFHHON-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107066
c1(NC(=O)c2cccc(CN(C)Cc3[nH]ccn3)c2)n(C)nc2CCCc12	EMOLS-id_36437944,PC-id_56709058,ZINC22_67786608,MCULE-6766805403	364.444	YNRQBNDVRWAHHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107067
c1(NC(=O)Cn2cc(c(c3cccnc3)n2)CCC)n(C)nc2CCCc12	EMOLS-id_23816099,CoCoCo_1333952,PC-id_29219550,ZINC22_20919504,MCULE-3482125465	364.444	HVDFWDIQQMCUHU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-107068
Cc1nn(c2ccccc2)c(C)c1CC(=O)NCCc1nnc2n1CCC2	PC-id_53512334,EMOLS-id_31935496,MCULE-7041929872,ZINC22_42502851	364.444	OREYJOAWCOHCFW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107069
Cc1nn(c2ccccc2)c(C)c1CC(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1772712196	364.444	JNCMMHGRVJFHTQ-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107070
Cc1nn(c2ccccc2)c(C)c1CC(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1772712197	364.444	JNCMMHGRVJFHTQ-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107071
Cc1nn(c(C)c1CC(=O)NCC1Cc2nnc(C)n2C1)c1ccccc1	PC-id_137335367,MCULE-5597966018,EMOLS-id_317470632	364.444	JNCMMHGRVJFHTQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107072
CC(C)c1cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)nn1C	EMOLS-id_189747167,ZINC22_190082538,MCULE-7962798542	364.444	SYQFLQPUUZWVNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107073
CCCc1c(C(=O)NCCc2nnc3n2CCC3)cnn1c1ccccc1	ZINC22_170594248,PC-id_86815054,EMOLS-id_49932374,MCULE-1680921855	364.444	NWCHLFDWVSARQG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107074
C[C@@H](c1cccc(c1)NC(=O)c1[nH]nc2c1CCC2C)Cc1nncn1C	SCHEMBL21211842,PC-id_139360348	364.444	OYWAMANBLZESLI-ZGTCLIOFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107075
CCn1nc(C)c(c1C)c1ccc(cc1)C(=O)NCc1nnc2CCCn12	MCULE-3336830728,EMOLS-id_177389941,PC-id_122559436,ZINC22_534588845	364.444	VISLHWGXUGDARO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107076
CN(C1Cn2c(C1)cc(n2)C(=O)N(Cc1cnn(c1)c1ccccc1)C)C	MCULE-3738243034	364.444	FQHOBFRCSFHHON-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107077
N#Cc1ccccc1N1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101435193	364.444	ZGYOOTKJBQXABZ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-107078
O=C(c1nn(c(n1)C)c1ccccc1C(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98809882	364.444	KJBSRPMTFFNQHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107079
c1(NC(=O)CSc2nnc(COC)n2N)sc2c(CCC2)c1C#N	MCULE-9597396038,EMOLS-id_335789974	364.446	ZQNALRXKCHTSCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107080
NC(=O)c1c(NC(=O)CSc2nnnn2C2CC2)sc2c1CCC2	PC-id_9464279,CoCoCo_4239087,MCULE-8900653427,ZINC22_8342682,EMOLS-id_11722531	364.446	ROMVDNAJXPRQAX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-107081
s1c2c(CCC2)c(c1NC(=O)CSc1nc(N)cc(n1)N)C(=O)N	PC-id_4342059	364.446	VFZGEFZJLLCEHQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107082
CN=C(N(Cc1ncc([nH]1)c1ccccc1)C)NCc1nnc2n1CCC2	PC-id_109843728	364.447	GYJLEEJMYSIQPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107083
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1Cn1cccn1	PC-id_111020555	364.447	KUVOOKCENQQGFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107084
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1)n1cccn1	PC-id_111020577	364.447	VYELEVVQYFVZAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107085
c1(sc2c(CCC2)c1C(=O)OCC)/N=C(S)/Nc1ccc(cc1)F	EMOLS-id_45935564,CoCoCo_6914721,TIMTEC28952,SPECS-id_AK-245/11622018,PC-id_5086217,CoCoCo_6914720,CHEMBL1522109,ZINC22_7623435,MCULE-5420392406,ChEMBL-DNDi_CHEMBL1522109	364.457	NLRYUTAQBUMKMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107086
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1ccc(F)cc1)C)C(=O)N	PC-id_8740688	364.457	XICQIWYZTUQDPH-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-107087
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1ccc(F)cc1)C)C(=O)N	PC-id_8740689	364.457	XICQIWYZTUQDPH-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107088
s1c2c(CCC2)c(c1NC(=O)C(Sc1ccc(F)cc1)C)C(=O)N	PC-id_84826991	364.457	XICQIWYZTUQDPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107089
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1F)C)C(=O)OC	PC-id_19687258	364.457	CTTRHBCRQPUDBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107090
s1c2c(CCC2)c(c1NC(=S)Nc1c(ccc(F)c1)C)C(=O)OC	PC-id_19687335	364.457	QSTPHFOEPCNHTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107091
s1c2c(CCC2)c(c1NC(=S)Nc1c(cc(F)cc1)C)C(=O)OC	PC-id_19679950	364.457	NWIJGHIFDYJZIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107092
s1c2c(CCC2)c(c1NC(=S)Nc1cc(F)c(cc1)C)C(=O)OC	PC-id_20413097	364.457	UDIAFGVZDUZUCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107093
s1c2c(CCC2)c(c1NC(=S)Nc1c(F)cccc1)C(=O)OCC	PC-id_8729337	364.457	ZPSHMIKTAYZQSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107094
s1c2c(CCC2)c(c1NC(=S)NCc1ccc(F)cc1)C(=O)OC	PC-id_8447541	364.457	HMWGCAOPRKQXEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107095
s1c2c(CCC2)c(c1NC(=S)NCc1c(F)cccc1)C(=O)OC	PC-id_19679678	364.457	XHXKIFVMURPALS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107096
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)NC1CCCC1	TIMTEC233094,MCULE-9170599457,PC-id_17377085,CoCoCo_6832035,EMOLS-id_4042062,ZINC22_17074943	364.459	JBXCQBZCAVXAAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107097
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)NC1CCCCC1	MCULE-3168511319,ZINC22_6730643,CoCoCo_1050003,EMOLS-id_2547422,PC-id_6468535,TIMTEC469279	364.459	TZCWHSXDDZUMTF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107098
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334383,MCULE-4892841595	364.459	VELKKEUVCVPUON-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107099
c1(NC(=O)C2CCN(CC2)C(=O)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1042120,ZINC22_6698377,EMOLS-id_2287337,ChEMBL-DNDi_CHEMBL9042273,MCULE-9494487694,PC-id_6464371	364.459	UEQIBYUBNYVTHR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107100
c1(NC(=O)C(=O)NC2CCC(CC2)C)sc2c(CCC2)c1C(=O)OC	PC-id_2986483,MCULE-8682769284,EMOLS-id_2526978,ZINC22_4839754	364.459	JHMTXKIGHAPIEB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107101
CC(C(=O)N)OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	EMOLS-id_3699385,MCULE-1808325643,PC-id_16358541	364.459	KJJNLZXTVHWEIK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107102
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC(=O)NC1CCCCC1	CoCoCo_2840867,ZINC22_4581512,PC-id_7291919	364.459	UXZKWZLYHAGZBQ-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107103
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NC(=O)NC1CCCCC1	CoCoCo_2840868,PC-id_7291918,ZINC22_4581511	364.459	UXZKWZLYHAGZBQ-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-107104
C[C@@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C(=O)N	CoCoCo_2889308,PC-id_41111995,ZINC22_9531911	364.459	KJJNLZXTVHWEIK-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107105
C[C@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C(=O)N	ZINC22_9531908,PC-id_41111993,CoCoCo_2889309	364.459	KJJNLZXTVHWEIK-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-107106
CCOC(=O)c1c(NC(=O)C2CN(C(C)C)C(=O)C2)sc2CCCc12	MCULE-7423925574,EMOLS-id_327811511	364.459	YMRAZQQPOBAIKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107107
COc1c(sc2c1CCC2)C(=O)N1CCN(CC1)C(=O)C1CCCO1	PC-id_91956582	364.459	YBHIKBVAJRCLBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107108
COC(=O)c1c(NC(=O)C(=O)N[C@@H]2CC[C@@H](CC2)C)sc2c1CCC2	CoCoCo_581705	364.459	JHMTXKIGHAPIEB-PHIMTYICSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107109
COC(=O)c1c(NC(=O)C(=O)N[C@@H]2CC[C@H](CC2)C)sc2c1CCC2	CoCoCo_581706	364.459	JHMTXKIGHAPIEB-XYPYZODXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107110
NC(=O)c1c(NC(=O)COC(=O)CCC2CCCC2)sc2c1CCC2	EMOLS-id_43724758,ZINC22_5617254,PC-id_7751527,MCULE-3046180997	364.459	FHMJAORQIURCTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107111
O=C(NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C)NC1CCCCC1	PC-id_4829056,EMOLS-id_3477025,MCULE-7002170134	364.459	UXZKWZLYHAGZBQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107112
OC(=O)CN(C1CCCN(CC1)C(=O)c1sc2c(c1)CCC2)C(=O)C	PC-id_120441283	364.459	YKLCXQCTIIWTNI-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-107113
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)NC1C(CCCC1)C	PC-id_45637977	364.459	CFHWAZWUWABZIP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107114
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)N[C@H]1[C@@H](CCCC1)C	PC-id_7623913	364.459	CFHWAZWUWABZIP-DGCLKSJQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107115
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)N[C@H]1[C@H](CCCC1)C	PC-id_7623915	364.459	CFHWAZWUWABZIP-WCQYABFASA-N	00000010100010000000000010000000000000000000000000000000	25-01-107116
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)N[C@@H]1[C@@H](CCCC1)C	PC-id_7623917	364.459	CFHWAZWUWABZIP-YPMHNXCESA-N	00000010100010000000000010000000000000000000000000000000	25-01-107117
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)N[C@@H]1[C@H](CCCC1)C	PC-id_7623918	364.459	CFHWAZWUWABZIP-AAEUAGOBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107118
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC	PC-id_41732968	364.459	KVJZNQISVZHCQJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107119
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC1CCCCC1)C(=O)N	PC-id_4651408	364.459	LBNPTTLTGQLDFZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107120
s1c2CC(CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)c2cc1	PC-id_10690151	364.459	MMJGDXNAAQVKIB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107121
c1(NC(=O)Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)n1	MCULE-3045938365,EMOLS-id_334662352	364.461	KOGFCLCLYOPMQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107122
COc1ccccc1Nc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	PC-id_2374157,CoCoCo_3344048,ZINC22_3257483,MCULE-1292689027,EMOLS-id_43849559	364.461	XGNYMOMMQWVHPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107123
O=C(COc1ccccc1Cc1ccccc1)Nc1nc2c(s1)CCC2	MCULE-4734519090,ZINC22_8327801,CoCoCo_4164111,EMOLS-id_43971860,PC-id_9452535	364.461	QQXNJNYZCAGMFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107124
c1(NC(=O)C(=O)NCCN2CCCCC2)sc2c(CCC2)c1C(=O)N	EMOLS-id_4769027,STOCK6S-28448,ZINC22_13629169,MCULE-9032626570,PC-id_17588957	364.462	HJCMTNNFASGQES-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107125
CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)CCS(=O)(=O)C)C2	EMOLS-id_313736657,ZINC22_2055719507	364.462	YLHRYOQKJACLDV-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-107126
Cn1nc(c2c1CCC2)CN(S(=O)(=O)N1CCCC1)Cc1ccco1	PC-id_92109661	364.462	NSFILEATACRNGS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-107127
s1c2c(CCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)C	PC-id_73390539	364.462	ZYZXYGOYVZWZEI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107128
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)NCCOC)C)C#N	PC-id_30102030	364.462	GSMSZADCHMVBIR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107129
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)C(=O)C)C)C(=O)N	PC-id_9276521	364.462	WKHCIULRQVDETK-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-107130
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)C(=O)C)C)C(=O)N	PC-id_9276524	364.462	WKHCIULRQVDETK-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107131
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)N)C)C(=O)N	PC-id_60338315	364.462	ZKIGZGYNJJOQEE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107132
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)C)C)C(=O)N	PC-id_46631169	364.462	WKHCIULRQVDETK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107133
C1c2c(CN1CCc1ccccc1)[nH]nc2NC(=O)C=Cc1cccs1	SCHEMBL2913884,SCHEMBL2913887,PC-id_87454861	364.464	JKOCFJAYMYHQHQ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-107134
C1Cc2c(C1)[nH]nc2CNC(=O)c1ccc(cc1)CSc1ccccn1	PC-id_135098011	364.464	HSDNWDSEYLPQKE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-107135
n1c2CCCc2sc1CCNC(=O)c1ccc(cc1)c1c(cccn1)N	PC-id_121501829,MCULE-3409063714,ZINC22_426490297,EMOLS-id_177417501	364.464	ZLELQTRUAQWHMD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-107136
O=C(C(c1ccccc1)Sc1ccccc1)NCc1nnc2n1CCC2	MCULE-8023825429,PC-id_45863212,EMOLS-id_29985848	364.464	VABNUANWZVDUOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107137
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)/C=Cc1cccs1	SCHEMBL2913882	364.464	CTXGVQAZHQNWQY-KTKRTIGZSA-N	00000010100100110001000010000000000000000000000000000000	25-01-107138
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)/C=Cc1cscc1	SCHEMBL2922083	364.464	UHZJHOPBSOTXMJ-FPLPWBNLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-107139
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)C=Cc1cscc1	SCHEMBL2922086,PC-id_68441835	364.464	SJOBAKPXODILDP-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-107140
O=C(NCc1nnc2n1CCC2)[C@@H](Sc1ccccc1)c1ccccc1	ZINC22_40025400,CoCoCo_4474374,PC-id_51928974	364.464	VABNUANWZVDUOD-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-107141
O=C(NCc1nnc2n1CCC2)[C@H](Sc1ccccc1)c1ccccc1	ZINC22_40025402,CoCoCo_4474373,PC-id_51928975	364.464	VABNUANWZVDUOD-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107142
s1c2CCCc2cc1C(=O)NN=Cc1c(n(nc1C)c1ccccc1)C	PC-id_85015426	364.464	JMCURIKRMGGJTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107143
s1cc(C=CC(=O)Nc2n[nH]c3CN(Cc23)C(c2ccccc2)C)cc1	PC-id_68441832	364.464	UHZJHOPBSOTXMJ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-107144
s1c(C=CC(=O)Nc2n[nH]c3CN(Cc23)C(c2ccccc2)C)ccc1	PC-id_68438960	364.464	CTXGVQAZHQNWQY-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-107145
CC(n1cnnc1C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100221541	364.466	FUSXDBFJLIQUMC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107146
CC(n1cnnc1C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100218949	364.466	SMAHKNKEZGKMFR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107147
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)OC)O	PC-id_13216476,SCHEMBL10989467	364.476	BZUPPKSQAPEJGS-OFZHJCEBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107148
CCCCC[C@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)OC)O	SCHEMBL10991459,PC-id_70487569	364.476	BZUPPKSQAPEJGS-NSKGWKMSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107149
CCCCC([C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	PC-id_70486967,SCHEMBL10992212	364.476	ZJONPXMPENKZHF-KDJHBRGBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107150
CCCCC([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	SCHEMBL10992223,PC-id_57275276	364.476	ZJONPXMPENKZHF-NHFRFODUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107151
CCCC[C@@H]([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	PC-id_70487669,SCHEMBL10992216	364.476	ZJONPXMPENKZHF-RGIVZKHGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107152
o1c2c(C([C@H](O)C2)/C=C/[C@@H](O)[C@@H](CCCC)C)cc1CCCCC(=O)O	PC-id_70524285	364.476	ZJONPXMPENKZHF-IVXYSEMLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107153
o1c2c(C(C(O)C2)C=CC(O)CCCCC)cc1CCCCC(=O)OC	PC-id_73178889	364.476	BZUPPKSQAPEJGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107154
o1c2c(C(C(O)C2)C=CC(O)C(CCCC)C)cc1CCCCC(=O)O	PC-id_76506799	364.476	ZJONPXMPENKZHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107155
o1c2c([C@H]([C@H](O)C2)C=C[C@H](O)CCCCC)cc1CCCCC(=O)OC	PC-id_53709940	364.476	BZUPPKSQAPEJGS-SZVBFZGTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107156
o1c2c([C@H]([C@H](O)C2)C=C[C@@H](O)CCCCC)cc1CCCCC(=O)OC	PC-id_57093314	364.476	BZUPPKSQAPEJGS-KVSKMBFKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107157
C=CCN(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCCCC	PC-id_70214441,SCHEMBL7875836	364.481	HPSKZYBAJOLHLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107158
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2225324452,EMOLS-id_334389019	364.482	FAHMLCVPJHGVSC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107159
c1(sc2c(CCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)C(C)C	TIMTEC284708,MCULE-7781178051,EMOLS-id_4042196,PC-id_4496000,ZINC22_5940143,CoCoCo_6620582	364.482	LHEVFSZOHKMYAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107160
Cc1cc(C)c(c(c1)C)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-5691257398,CoCoCo_3532686,PC-id_17501749,EMOLS-id_16683002	364.482	BGAHASFHTPALJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107161
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCC2	MCULE-8666447393,PC-id_5216029,ZINC22_4965775,EMOLS-id_43800873,CoCoCo_3178691	364.482	JZTOCPIIZKBGJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107162
CC(c1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)C	CoCoCo_3532702,MCULE-4958244640,EMOLS-id_16729144,PC-id_8474075	364.482	LHOLRDMULDFSTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107163
CCCc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_8474106,MCULE-6817804223,CoCoCo_3532708,EMOLS-id_13533462	364.482	BPMMBSHTELQEDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107164
CCCNS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_30225098	364.482	XMLARNQECYYTNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107165
CS(=O)(=O)c1ccc(CC(=O)NCCc2nc3CCCc3s2)cc1	PC-id_118785552,MCULE-1393515132,EMOLS-id_68921279,ZINC22_299776958	364.482	IUZHWNAWKFPBQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107166
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)S(=O)(=O)N(C)C)C	PC-id_112789509	364.482	QDYRMGDBRFCDLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107167
O=C(CCS(=O)(=O)c1ccccc1)NCCc1nc2CCCc2s1	PC-id_91844109,MCULE-7499077316,ZINC22_244742091,EMOLS-id_55711400	364.482	OBUCPKSHYCTELH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107168
s1c2CCCc2cc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	PC-id_9188085	364.482	PBJGXJUENHETIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107169
s1c2CCCc2cc1C(=O)N(C(c1ccc(S(=O)(=O)N)cc1)C)C	PC-id_51253993	364.482	KTRZPSSXKAPPDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107170
s1c2CCCc2cc1C(=O)N([C@@H](c1ccc(S(=O)(=O)N)cc1)C)C	PC-id_34749639	364.482	KTRZPSSXKAPPDQ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107171
s1c2CCCc2cc1C(=O)N([C@H](c1ccc(S(=O)(=O)N)cc1)C)C	PC-id_34749642	364.482	KTRZPSSXKAPPDQ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-107172
s1c(C(=O)N2CC[NH+](CC2)CC(=O)N2CCOCC2)cc2c1CCC2	PC-id_41037573	364.482	PHCIJHFWYRJDAH-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-107173
S(=O)(=O)(C(C)C)c1ccc(CC(=O)Nc2sc3CCCc3n2)cc1	PC-id_16837966	364.482	ZTRUWLXWAWRYGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107174
c12CN(Cc1nn(CC1CCCC1)c2C(=O)NC1CC1)Cc1ccccc1	EMOLS-id_324357478,MCULE-1501784225	364.484	BINYCUYVFCXIGB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-107175
c1(NC(=O)c2csc(C)c2c2ccccc2)sc2c(CCC2)c1C#N	TIMTEC290482,PC-id_2971565,ZINC22_4805862,CoCoCo_543775,MCULE-4370152523,EMOLS-id_2498031	364.484	LNPZBJAEJVCHSL-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-107176
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(=CC1)c1ccccc1)C#N	PC-id_2439100	364.484	IMRGKRQZYMYEHL-UHFFFAOYSA-O	00000010100011110000100010000000000000000000000000000000	25-01-107177
c1(NC(=O)C(=O)NCc2cccs2)c2CSCc2nn1C(C)(C)C	MCULE-6436107800,PC-id_7685541,EMOLS-id_5617914,CoCoCo_5184715,ZINC22_5438248	364.486	SXKIUMHIVOHRKF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-107178
c1(SC(C)C(=O)NCCc2sc3c(CCC3)n2)nc(C)cc(=O)[nH]1	MCULE-7678470133,EMOLS-id_55685157,PC-id_91840301	364.486	TXHYHPHGQKFHOW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107179
c1(sc(nc1C)NCC1CCCO1)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323432316,MCULE-9356637736	364.486	LNCNEAJXUYYDLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107180
Cc1cc(O)nc(S[C@@H](C)C(=O)NCCc2nc3c(s2)CCC3)n1	PC-id_137048574,ZINC22_253537021	364.486	TXHYHPHGQKFHOW-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-107181
Cc1cc(O)nc(S[C@H](C)C(=O)NCCc2nc3c(s2)CCC3)n1	ZINC22_253537022,PC-id_137048575	364.486	TXHYHPHGQKFHOW-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107182
CCCn1ccnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_24238759,MCULE-7966572007,CoCoCo_4179806,EMOLS-id_17181991,ZINC22_12629321	364.486	ZCKIYTMEPGJROE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107183
CCNC(=NCc1nnc2n1CCC2)NCCCOCC1CCOCC1	PC-id_111642104	364.486	XJQYKWYTNVYGTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107184
COCCCOC1CCN(CC1)C(=NCc1nnc2n1CCC2)NCC	PC-id_109510505	364.486	OVSXQVSAEPEIFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107185
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)C)C)C(=O)OC	PC-id_20166621	364.486	MTJYQDBMZPARHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107186
s1c2c(CCC2)c(c1NC(=S)Nc1c(nn(c1)CC)C)C(=O)OC	PC-id_20177534	364.486	KFZBCQJBXCKDAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107187
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C)C(=O)OC	PC-id_20177593	364.486	OLDUOERDUGPNHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107188
s1c2c(CCC2)c(c1NC(=S)NCc1c(nn(c1)C)C)C(=O)OC	PC-id_20177698	364.486	URWYMFDBUVBIGP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107189
s1c2c(CCC2)c(c1NC(=S)NCc1c(n(nc1)C)C)C(=O)OC	PC-id_20177748	364.486	WXKRZZHVWKXDAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107190
s1c2c(CCC2)c(c1NC(=S)NCc1cn(nc1)CC)C(=O)OC	PC-id_20177858	364.486	ZZPWCBAMPQONDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107191
s1c2c(CCC2)c(c1NC(=S)NCc1nn(c(c1)C)C)C(=O)OC	PC-id_20171965	364.486	NWFUIMCPZBMQRP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107192
s1c2c(CCC2)c(c1NC(=S)NCc1n(ncc1)CC)C(=O)OC	PC-id_20175107	364.486	BIZWZWNMLIRWJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107193
s1c2c(CCC2)c(c1NC(=S)NCc1nn(CC)cc1)C(=O)OC	PC-id_20175051	364.486	LOJIFAUWPTVEKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107194
s1c2c(CCC2)c(c1NC(=S)NCCCn1nccc1)C(=O)OC	PC-id_20174573	364.486	NJXLYAQJQZVGER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107195
S1Cc2c(nn(c2NC(=O)Cc2sccc2)CC(=O)NCCC)C1	PC-id_44052842	364.486	GWCIEPMFQQTUKW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-107196
CCNC(=NCc1nnc2n1CCC2)N1CCC(=Cc2ccccc2)CC1	PC-id_109414579	364.487	YPQLSWIBSNXWSM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-107197
s1nc(SC)nc1N/N=C
/C(=Nn2nc(nc12)C(C)C)C(C)(C)C	PC-id_59913523	364.492	PVROXGKLENGCDJ-IUXPMGMMSA-N	00000011100000000001000010000000000000000000000000000000	25-01-107198
s1nc(SC)nc1NN=C1C(=Nn2nc(nc12)C(C)C)C(C)(C)C	PC-id_72594692	364.492	PVROXGKLENGCDJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-107199
c1(NC(=O)CC(C)(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6910243758,EMOLS-id_334332332	364.502	KVAOQZSOHXAPQV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107201
CCCCCCCCOC(=O)c1c(C)cn2c1SCC2=CC(=O)NC	PC-id_139819470	364.502	SEOZSZSAPNHUBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107202
CCOCCCNC(=O)C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_86985121	364.502	IQYFUGRCFQROQS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107203
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CCN1CCC(C)CC1	MCULE-3819530436,PC-id_1039863,TIMTEC21769,ZINC22_711201,EMOLS-id_300057737,CoCoCo_1737537,CoCoCo_1737538	364.502	HLRWBFSAEMYDIK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107204
CCOC(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc2c1CCC2	MCULE-1622650369,EMOLS-id_2995501,PC-id_2355248,CoCoCo_3564983,CoCoCo_3564982,ZINC22_3237473	364.502	YXVVBJZXBDGEKC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107205
O=C(CC(C)(C)C)Nc1sc2c(c1C(=O)N1CCCCC1)C(OC2)C	BindingDB_PC-id_71461321,PC-id_71461321	364.502	RGIAIURWTAWFCO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107206
s1c2c(CCC2)c(c1NC(=O)CN1C(CCCC1C)C)C(=O)OCC	PC-id_22197884	364.502	WUKRSYAWHGFNDJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107207
s1c2c(CCC2)c(c1NC(=O)CN1CC(CC(C1)C)C)C(=O)OCC	PC-id_22197994	364.502	GKOXLASCKKBCEX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107208
s1c2c(CCC2)c(c1NC(=O)CN(C1CCCCCC1)C)C(=O)OC	PC-id_16577787	364.502	WMCHKLFGVPMDJY-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-107209
C1(CCCC1)(c1ccccc1)CCC(=O)Nc1sc2CCCc2c1C#N	MCULE-9275630872,EMOLS-id_328220449	364.504	XKNFUSJBRMOZPP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-107210
C1(CCCCC1c1ccccc1)CC(=O)Nc1sc2CCCc2c1C#N	MCULE-3132269366,EMOLS-id_328103835	364.504	YDBOIFIUSSWWKO-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-107211
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)CC)C(=O)N	PC-id_8718279	364.505	JCNXRLTXJIIJFQ-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-107212
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1C)C)C(=O)N	PC-id_9433948	364.505	QOSJFISFNQPAGG-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-107213
c1(NC(=O)C(=O)NC2CCCCCC2)c2CSCc2nn1C(C)(C)C	CoCoCo_5184701,MCULE-6966762963,EMOLS-id_5617888,ZINC22_5438196,PC-id_7685519	364.506	VJNGKAVQMPSJFF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-107214
CC1(CCc2c1nc(s2)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)C	PC-id_136582888	364.506	BCZRNDOZHYLVDX-ZWNOBZJWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107215
CC1CC(CN1C(=O)Nc1sc2c(n1)C(CC2)(C)C)N1CCOCC1	EMOLS-id_102009024	364.506	RAVIGPWWVWTYRQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107216
CC(C(=O)N1CCCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102001959	364.506	PREROAUKTIBNMF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-107217
CN(C)C1CCC(CC1)OC(=N)c1c(sc2c1C(CC2)CC(=O)N)N	PC-id_136634843	364.506	FYOIONLSEIHITC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107218
CN(CC(=O)N1CCc2c1cc(s2)C(=O)N1CCC(CC1)N(C)C)C	PC-id_97407178	364.506	RACZQHNAGDPQBS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107219
O=C(C1CCC(CC1)N1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_316568116	364.506	YNAATRIWRJLKAY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107220
O[C@@H]1CCN(C[C@H]1C1CCCC1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_101654797	364.506	GRHVOTGAHLYRCC-JKSUJKDBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107221
O=C(N1CCC(C1)CN1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007155	364.506	RQMUCIDWMWYBRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107222
O=C(N1CCC[C@H]1CN1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009126	364.506	UNOFGGYRUDWHNP-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107223
O=C(N1CCN(CC1)C1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003687	364.506	IWHSNQHQVWAHED-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107224
O=C(N1CCN(CC1)CC1COCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003747	364.506	YQTVVUJEJWIUNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107225
O=C(N1CCN(CC1)C(=O)C(C)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000045	364.506	QLHCDOXJVWCVHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107226
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCC(=O)N1CCCCCC1	EMOLS-id_102001896	364.506	AIDDDXPMYGPQMJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-107227
O=C(NC(C(=O)N1CCCCC1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002061	364.506	POANRQAFPVNPEX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107228
s1c2c(CCC2)c(c1NC(=O)CN1CCC(NC(C)C)CC1)C(=O)N	PC-id_56570101	364.506	VRAZXEBSVDOIDK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107229
S1Cc2c(NC(=O)CC3CCCCC3)n(nc2C1)CC(=O)NCCC	PC-id_44052864	364.506	BBJOXQNREILBOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107230
S1Cc2c(NC(=O)CCC3CCCC3)n(nc2C1)CC(=O)NCCC	PC-id_44052865	364.506	OKAQFELHQGMQCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107231
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CC(CC(C1)C)C	PC-id_78524953	364.506	BGGKVLBSZNUACI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107232
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1C[C@H](C[C@H](C1)C)C	PC-id_7685572	364.506	BGGKVLBSZNUACI-TXEJJXNPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107233
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1C[C@H](C[C@@H](C1)C)C	PC-id_7685573	364.506	BGGKVLBSZNUACI-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107234
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1C[C@@H](C[C@H](C1)C)C	PC-id_7685574	364.506	BGGKVLBSZNUACI-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107235
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NC1C(CCCC1)C	PC-id_78524950	364.506	ANEAQDLDRGXORS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107236
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@H]1[C@@H](CCCC1)C	PC-id_7685520	364.506	ANEAQDLDRGXORS-DGCLKSJQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107237
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@H]1[C@H](CCCC1)C	PC-id_7685521	364.506	ANEAQDLDRGXORS-WCQYABFASA-N	00000010100010000001000010000000000000000000000000000000	25-01-107238
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@@H]1[C@@H](CCCC1)C	PC-id_7685522	364.506	ANEAQDLDRGXORS-YPMHNXCESA-N	00000010100010000001000010000000000000000000000000000000	25-01-107239
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@@H]1[C@H](CCCC1)C	PC-id_7685523	364.506	ANEAQDLDRGXORS-AAEUAGOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107240
S(c1n(c2CCCc2n1)Cc1ncccc1)Cc1c(N(C)C)cccc1	PC-id_10713835	364.507	BLNWKGZJRZZPHN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-107241
CCOC(=O)n1nc2c(c1NC(=O)C1(CC1)[Si](C)(C)C)CNC2(C)C	PC-id_140817030	364.515	OXJPRANPNOEHLI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-107242
N#Cc1n(COCC[Si](C)(C)C)nc2c1CN(C2)C(=O)OC(C)(C)C	SCHEMBL9918102,PC-id_67965001	364.515	KZEBJHMGRQAELY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107243
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[N@@H+](CC1CCCCC1)C	GD-id_ZINC44000168	364.525	NSGMRJZYYZVUND-LBPRGKRZSA-O	00000010100010000000000010000000000000000000000000000000	25-01-107244
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH2+]C1CCCCCCC1)C)C(=O)N	PC-id_9444326	364.525	HHQTXZOYHQYDGG-LBPRGKRZSA-O	00000010100000000100000010000000000000000000000000000000	25-01-107245
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH2+]C1CCCCCCC1)C)C(=O)N	PC-id_9444328	364.525	HHQTXZOYHQYDGG-GFCCVEGCSA-O	00000010100000000100000010000000000000000000000000000000	25-01-107246
s1c2c(CCC2)c(c1NC(=O)C([NH2+]C1CCCCCCC1)C)C(=O)N	PC-id_85010420	364.525	HHQTXZOYHQYDGG-UHFFFAOYSA-O	00000010100000000100000010000000000000000000000000000000	25-01-107247
s1c2c(CCC2)c(c1NC(=S)NCCC1=CCCCC1)C(=O)OC	PC-id_19650283	364.525	MSIMOODTEOJZBR-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-107248
c12SCCn1cc(CNC(=O)N(CC(C)C)Cc1sccc1C)n2	PC-id_119060231,EMOLS-id_82704261,ZINC22_426389282,MCULE-9936394246	364.529	QVFZSZQOTCAQJZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-107249
O=C(N1CCC(C(C1)(C)C)NCc1sc2c(c1)CCC2)OC(C)(C)C	PC-id_114235416	364.545	BSLCJVXPZHZRGW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107250
Fc1ccccc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324912640	364.61	XDPRZXKNHUDTKL-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107251
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324911616	364.61	KAXDSEXQQYLXHP-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107252
Fc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324913666	364.61	ISJZTBFTZDHMPP-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107253
n12c(=O)c(=Cc3ccccc3F)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8777663995	364.61	XDPRZXKNHUDTKL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107254
n12c(=O)c(=Cc3cccc(F)c3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5913413973	364.61	ISJZTBFTZDHMPP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107255
n12c(=O)c(=Cc3ccc(F)cc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-9048394260	364.61	KAXDSEXQQYLXHP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107256
Brc1cc(F)c(NC2CCc3sc(Cl)cc23)c(F)c1	PC-id_81252411	364.636	LSVNGSSXFXIFOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107257
Brc1c(NC2CCc3sc(Cl)cc23)c(F)cc(F)c1	PC-id_81251835	364.636	CIKXMKSSCXYYSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107258
Clc1cc2c(s1)CCC2Nc1cc(Br)c(cc1F)F	PC-id_102852891	364.636	OYDBFRSJPPHVAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107259
Clc1cc2c(s1)CCC2Nc1cc(F)c(cc1F)Br	PC-id_107609551	364.636	QQVAWJSJWNWMQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107260
CC([Si]1(N[Si](c2n1ccc2)(C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_101948926	364.716	FSGFUMGQHXBNHJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107261
Cc1c(n2CCCc2c1C(=O)C(=O)O)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19900783,PC-id_134285090	364.755	HKZLGSTVSSHACQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107262
O=Cn1nc2c(c1NC(=O)c1ccc(cc1)F)CN(C2(C)C)C(=O)Cl	PC-id_143492432	364.759	ORGMODULSVOBCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107263
Clc1cc(c([O-])c([N+](=O)[O-])c1)C=NNC(=O)c1sc2CCCc2c1	PC-id_85015508	364.784	JSOWHUXTCOAADI-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-107264
CN(C)C(=O)COCc1nc2CN(Cc2o1)C(=O)c1cccc(Cl)n1	ZINC22_2055773004,EMOLS-id_313783704	364.784	IURPBLVDAZNQOA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107265
CC1CN(CCN1C(=O)c1cc2n(n1)CCO2)c1ccc(c(c1)F)Cl	MCULE-6437583928,EMOLS-id_316168203	364.802	JLHZQROBPFYRNB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107266
C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cc2n(n1)CCO2	ZINC22_521292189	364.802	JLHZQROBPFYRNB-LLVKDONJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107267
C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cc2n(n1)CCO2	ZINC22_521292193	364.802	JLHZQROBPFYRNB-NSHDSACASA-N	00000010100010110001100010000000000000000000000000000000	25-01-107268
O=C(C1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F)N1CCCC1	SCHEMBL19609562	364.802	RQHPOFMRCRCQML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107269
O=C([C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F)N1CCCC1	SCHEMBL19610075	364.802	RQHPOFMRCRCQML-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107270
Clc1c([N+](=O)[O-])cc(C=Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_23962972	364.803	MWSNPDNLGYDZNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107271
CC(C)(C)c1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324851430	364.807	YZOOIUHLDYLYOO-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107272
CC(C)Cc1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324861666	364.807	NLTYZOPYSNIOLL-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107273
n12c(=O)c(=Cc3ccc(c(c3)N(=O)=O)Cl)sc1nc(C(C)(C)C)n2	MCULE-3199319716	364.807	YZOOIUHLDYLYOO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107274
n12nc(nc1sc(=Cc1ccc(c(c1)N(=O)=O)Cl)c2=O)CC(C)C	MCULE-2165465727	364.807	NLTYZOPYSNIOLL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107275
Clc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	MCULE-8397577946,PC-id_46861308,EMOLS-id_31548314	364.825	ZNZPIHJJRHFABA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107276
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Cl)cc1	PC-id_52340466,ZINC22_51364515	364.825	ZNZPIHJJRHFABA-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107277
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Cl)cc1	ZINC22_51364516,PC-id_52340467	364.825	ZNZPIHJJRHFABA-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107278
Clc1ncc(CN2c3n(CC2)c(c(OCCCC)c3[N+](=O)[O-])C)cc1	PC-id_71518121	364.827	JXCDUQNDNWBZQC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107279
COc1cc(C(=O)NCc2nnc3n2CCC3)cc(Cl)c1OC(C)C	CoCoCo_4560414,ZINC22_24985857,PC-id_24249005,MCULE-1602856896,EMOLS-id_17216925	364.827	SMSTVLATSUBXSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107280
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccc(c(Cl)c1)OC	ZINC22_1438816,MCULE-9718691486,EMOLS-id_2434915,CoCoCo_881678,PC-id_1516289,TIMTEC125748	364.846	DLXKGVPBKNKQJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107281
c1(cc(ccc1Cl)N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8849327450,EMOLS-id_328050636	364.846	VPPRFLDJMSPICM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107282
c1(cccc(Cl)c1N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-1741647190,EMOLS-id_328139318	364.846	AXGJXNRCEGXKLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107283
c1(ccc(N)cc1Cl)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-9723341149,EMOLS-id_327889443	364.846	OKOIJXQBQFZPLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107284
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331604,MCULE-2538708019	364.846	BMEMJZDLVPXQSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107285
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCC2)c1C(=O)N	ZINC22_879550,PC-id_1137450,EMOLS-id_1363029,BAS-02052635,MCULE-1405121360,ChEMBL-DNDi_CHEMBL3448-4800,CoCoCo_228627,STOCK2S-90320	364.846	DYWFNZIYTFGNFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107286
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-1830499451,EMOLS-id_16349125,PC-id_7475003,ZINC22_5055703,CoCoCo_2590268	364.846	OBJCGMQHGLVFHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107287
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_3153458,CoCoCo_346282,BAS-06190140,ZINC22_4570217,MCULE-1834738020,EMOLS-id_1477876	364.846	HVUBIRYZMLIXMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107288
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	ZINC22_2259134,CoCoCo_3483846,MCULE-1712504162,PC-id_1886785,STOCK3S-91837,EMOLS-id_2979866	364.846	ATXQPFDXXMDGIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107289
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AN-153/I178348,ZINC22_1003716,SPECS-id_AN-329/41539314,EMOLS-id_3766910,CoCoCo_6183888,MCULE-1264620977,SPECS-id_AT-084/J171421,TIMTEC91039,PC-id_1226611	364.846	BZEDYGNXPWJPBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107290
CCOc1c(c(cc(c1)/C=N/NC(=O)c1cc2c(s1)CCC2)Cl)O	PC-id_135749583	364.846	VARGIOMBPOZTFM-DJKKODMXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107291
CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1Cl	PC-id_4503425,ZINC22_6554487	364.846	GGBWVMQSMZXWIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107292
CCOC(=O)c1c2CCCc2sc1NC(=O)c1cc(Cl)ccc1N	EMOLS-id_328081714,MCULE-8586334799	364.846	UMPCYJGMUAOUMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107293
Clc1ccc([C@H](OC)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_52434250	364.846	SCYJGDHKQSQQAI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107294
Clc1ccc([C@@H](OC)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_52434251	364.846	SCYJGDHKQSQQAI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107295
Clc1ccc(C(OC)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_75846913	364.846	SCYJGDHKQSQQAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107296
ClC1=CC(=CNNC(=O)c2sc3CCCc3c2)C=C(OCC)C1=O	PC-id_9462344	364.846	OECVSGNZTNCNNI-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-107297
Clc1c(cc(OCC(=O)NNC(=O)c2sc3CCCc3c2)cc1)C	PC-id_24414297	364.846	PXAQTDRCQSYGPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107298
Clc1cc(c(OCC(=O)NNC(=O)c2sc3CCCc3c2)cc1)C	PC-id_27684484	364.846	METWGLLFXUSGEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107299
Clc1c([C@H](OC)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_52434248	364.846	YWZKMKQZVOCUJN-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107300
Clc1c([C@@H](OC)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_52434249	364.846	YWZKMKQZVOCUJN-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107301
Clc1c(C(OC)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_75846912	364.846	YWZKMKQZVOCUJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107302
Clc1c(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_24406374	364.846	FTVYOSMZEFSOSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107303
Clc1c(OC)c(OC)cc(C=NNC(=O)c2sc3CCCc3c2)c1	PC-id_85015439	364.846	SNHZSKJSXHJYGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107304
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(cc1)C	PC-id_38861235	364.846	BWYFMVBBVARCQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107305
Clc1c(OCC(=O)NNC(=O)c2sc3CCCc3c2)cc(cc1)C	PC-id_24540824	364.846	KJDIVCKFZWDEJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107306
c12SCCn1cc(CNC(=O)CC(=O)Nc1c(C)ccc(Cl)c1)n2	EMOLS-id_316256548,ZINC22_1506404071,MCULE-1420361474	364.85	FPQIUTYDYZBICJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107307
c1(NC(=O)Nc2ccc(cc2)Cl)c(C(=O)N)c2c(s1)CN(C2)CC	SCHEMBL17022021,CHEMBL4116461,PC-id_118307320	364.85	FDJPILDJDUAJCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107308
Clc1c(NC(=O)Nc2sc3CN(CCCC)C(=O)c3n2)cccc1	PC-id_53188495	364.85	KBFOQGGXXWGTCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107309
Cc1ccc(Cl)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1937320411,EMOLS-id_328220018	364.868	HBMMKNVNMNMRTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107310
Cc1cc(Cl)ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9545002986,EMOLS-id_328219253	364.868	CQQSFGLOTWYVSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107311
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1Cl	EMOLS-id_328218993,MCULE-4323442319	364.868	OCVVHJFMJRREAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107312
Cc1c(Cl)cccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328219505,MCULE-3038555450	364.868	YCXSAFBALHEESH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107313
Cc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)ccc1Cl	MCULE-6993526213,EMOLS-id_328217212	364.868	PFPJAEZNWUZIGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107314
Clc1ccccc1CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6436885122,EMOLS-id_328212094	364.868	NVCBRBHZAJDLAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107315
Clc1ccc(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328216438,MCULE-8582148325	364.868	FUGPYEZVDGADQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107316
Brc1sc(Br)c2c1C(Cl)C(Cl)C2=O	PC-id_78180640	364.869	YPLALNOTCKAOQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107317
Brc1sc(Br)c2c1[C@@H](Cl)[C@@H](Cl)C2=O	NSC709157,PC-id_398923,CoCoCo_5775689	364.869	YPLALNOTCKAOQJ-QWWZWVQMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107318
Brc1sc(c2c1C(=O)[C@H]([C@@H]2Cl)Cl)Br	CoCoCo_5775690	364.869	YPLALNOTCKAOQJ-DMTCNVIQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107319
Brc1sc(c2c1C(=O)[C@H]([C@H]2Cl)Cl)Br	CoCoCo_5775691	364.869	YPLALNOTCKAOQJ-IMJSIDKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107320
Brc1sc(c2c1C(=O)[C@@H]([C@H]2Cl)Cl)Br	CoCoCo_5775692	364.869	YPLALNOTCKAOQJ-IUYQGCFVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107321
CCCOc1cc(Cl)c(CNCc2nnc3CCCn23)cc1OCC	PC-id_46996487,EMOLS-id_31621905,ZINC22_63872081,MCULE-2988507910	364.87	QZNHPGFMHSDRPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107322
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)n1	EMOLS-id_334661079,MCULE-3841648974	364.89	OYPDVFQFRPTZNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107323
N#Cc1c(sc2c1CCC2)NC(=O)c1c(F)cccc1Br	PC-id_114559378	365.22	UOFGOPLIHZRUGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107346
Clc1cc(C[NH+](Cc2n[nH]c3c2CCC3)C)cc(OCC)c1OCC	PC-id_52398867	364.89	XQJLMBBKRYCCEJ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-107324
CN=C(NCc1nnc2n1CCC2)NCCSc1ccc(cc1)Cl	PC-id_111020471	364.896	OOQPCJPLEPCREU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107325
CC(C)(C)OC(=O)N1CCN2C1=NC(=C2Br)Br	PC-id_153506256	364.937	AWFKHDGTLGLGHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107326
COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC(=CC=C3)F)Br	PC-id_154476861	365.006	BEGYMZROEHUEEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107327
Brc1sc(Br)c2c1C(NC(=O)C=C)CC2=O	PC-id_11696270	365.041	HJHBNPIWZJVPPZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107328
Brc1sc(Br)c2c1C(=O)C(=CN(C)C)C2=O	NSC710882,CoCoCo_5777809,PC-id_399787	365.041	DNTYPWIBBFUMAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107329
C[C@]1(CN2C=C(N=C2O1)[N+](=O)[O-])CCN(C3=CC=C(C=C3)Cl)C(=O)[O-]	PC-id_153874050	365.066	UZZCNVMBVDRXJH-OAHLLOKOSA-M	00000010100000110001000010000000000000000000000000000000	25-01-107330
COC1=CC=C(C=C1)C2=CNC=C2/C=C/C4=C(NC3=O)SC(=C4)C(=O)N	PC-id_153775830	365.083	HXHNVGAINDDVSL-MLPAPPSSSA-N	00000010110000110000100010000000000000000000000000000000	25-01-107331
Brc1sc(Br)c2CN(Cc12)CC1=NCCN1	PC-id_44211764,SCHEMBL9186331	365.087	AAJMFTWUUDTDEB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-107332
CN1C=C(C=N1)C2CS(=O)(=O)CCN2C(=O)C3=CC4=C(S3)CCC4	PC-id_154793975	365.087	XZLLZEYUTQGUTH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107333
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NC(=O)OC	PC-id_150396840	365.094	HCXNUYMYSQXSIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107334
CN1C(=C2CCCC2=N1)CC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)F	PC-id_161225306	365.121	UYASBNCCINWOPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107335
CC1=CC=CC=C1C(=O)NC(=N/C=C(/C2=C(SC3=C2CCC3)C)N=C)C	PC-id_154976821	365.156	JWBYNRVYQJLNPT-PDGQHHTCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107336
CN1C(=C2CCCC2=N1)NC3=NC(=NC=C3)CC4=CC(=C(C=C4)OC)OC	PC-id_161281495	365.185	VFDOYVXIURNYMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107337
Brc1cc(C(=O)Nc2sc3CCCc3c2C#N)c(F)cc1	PC-id_60629668	365.22	FXIDIRQUGNRQCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107338
Brc1c(C(=O)Nc2sc3CCCc3c2C#N)cccc1F	PC-id_81503931	365.22	UMLCVCKYDNKBCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107339
Brc1c(C(=O)Nc2sc3CCCc3c2C#N)ccc(F)c1	PC-id_60664910	365.22	UYWHACMKWQSCLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107340
Brc1c(C(=O)Nc2sc3CCCc3c2C#N)cc(F)cc1	PC-id_60667285	365.22	URCJAUJWNFWDFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107341
Brc1c(F)cc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_61702863	365.22	OMJSSOPIVHNADQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107342
c1(NC(=O)c2ccc(cc2F)Br)sc2c(CCC2)c1C#N	CoCoCo_4968450,PC-id_5084325,ChEMBL-DNDi_CHEMBLF0161-0377,MCULE-1410081439,EMOLS-id_4929228,ZINC22_4070197	365.22	DXMNNMDYVRHPCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107343
Fc1c(Br)cccc1C(=O)Nc1sc2CCCc2c1C#N	PC-id_106544155,MCULE-4078542727,EMOLS-id_328105121	365.22	LHKQLUJVZRCSOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107344
N#Cc1c(NC(=O)c2ccc(c(c2)Br)F)sc2c1CCC2	PC-id_103714169	365.22	BZDKYCJKEPXQCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107345
Brc1ccc(cc1)C(COC(=O)c1cnn2c1CCC2)(O)C	EMOLS-id_257984204,MCULE-9259150460	365.222	CCZPFYLILSHDRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107347
Brc1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)[O-])cc1	PC-id_1805815	365.222	CGPQQZZNEUWQMZ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-107348
Brc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)[O-])cccc1	PC-id_1906485	365.222	ATMZYNBMUCZMCX-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-107349
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2Br)OC)n1	EMOLS-id_330988273,MCULE-9882449928	365.222	NJIBCGNXVGGPOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107350
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(OC)ccc2Br)n1	MCULE-5074371955,EMOLS-id_330988017	365.222	JRAHNCXNVZBEHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107351
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1Br)OC	MCULE-9590305317,EMOLS-id_330967229	365.222	SXFLDJGADYSAOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107352
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(OC)ccc1Br	MCULE-5236591112,EMOLS-id_330966973	365.222	UGPKZXFZKYLKSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107353
CN(Cc1nnc2n1CCC2)C(=O)COc1ccc(Br)cc1	CoCoCo_4469498,PC-id_45863149,EMOLS-id_29678817,MCULE-5732644861,ZINC22_40025102	365.225	OBUQVBYBYCHICQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107354
O=C(c1cc(Br)c(n(c1=O)C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_111800353	365.225	LZPSJJCGGPPCES-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107355
Fc1cc(F)c(c(c1)F)C(C(F)(F)F)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_316790254,MCULE-9768168229	365.231	CTBAULRWGIMVKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107356
O=C(N[C@H](c1c(F)cc(F)cc1F)C(F)(F)F)c1cc2n(n1)CCO2	ZINC22_888090958	365.231	CTBAULRWGIMVKP-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107357
O=C(N[C@@H](c1c(F)cc(F)cc1F)C(F)(F)F)c1cc2n(n1)CCO2	ZINC22_888090959	365.231	CTBAULRWGIMVKP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107358
CCN(CC)c1ccc(cc1)N=C1C(=Nn2c1nnc2CN1CCCC1)C	PC-id_164017637	365.233	UWRAXWNPZDRCMY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-107359
Brc1ccc(C(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_4518725	365.242	GAADHKZHVCYZHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107360
Brc1cc(C(=O)COC(=O)c2sc3CCCc3c2)ccc1	PC-id_7623927	365.242	RGDKPLYVGPKVNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107361
Brc1ccc(c(c1)/C=N/c1sc2c(c1C(=O)N)CCC2)O	CoCoCo_3762761,CK2061837,PC-id_135676288	365.245	SFPZFLIJNIMYMO-CNHKJKLMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107362
Brc1ccc(c(c1)/C=Nc1sc2c(c1C(=O)N)CCC2)O	CoCoCo_3762762	365.245	SFPZFLIJNIMYMO-WSVATBPTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107363
Brc1ccc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684385	365.245	PPVYOIIEWZUKIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107364
BrC1=CC(=CNc2sc3c(CCC3)c2C(=O)N)C(=O)C=C1	PC-id_6047530	365.245	LUBOLXCWUTYWSV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-107365
BrC1=C/C(=C/Nc2sc3c(CCC3)c2C(=O)N)/C(=O)C=C1	PC-id_6524169	365.245	LUBOLXCWUTYWSV-FPLPWBNLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-107366
BrC1=CC(=CNNC(=O)c2sc3CCCc3c2)C(=O)C=C1	PC-id_9462462	365.245	YLCYSWZRUMYNDY-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-107367
Brc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_26872735	365.245	OYCHMLXZQHDXNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107368
Brc1c(C(=O)NNC(=O)c2sc3CCCc3c2)cccc1	PC-id_27684382	365.245	URDSQSIRZPGMSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107369
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1c(ccc(c1)Br)O	PC-id_135749596	365.245	UHRWJTLXRDAORG-CAOOACKPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107370
c1(NC(=O)c2cccc(Br)c2)sc2c(CCC2)c1C(=O)N	CoCoCo_3218603,ZINC22_3268328,PC-id_2384680,MCULE-4383562769,EMOLS-id_181348277	365.245	ULHUTLNSHUFLPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107371
c1(NC(=O)c2ccccc2Br)sc2CCCc2c1C(=O)N	PC-id_1548490,EMOLS-id_181348274,ZINC22_1514831,MCULE-2457296883	365.245	PSWGJUIBABJVTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107372
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)N	PC-id_2303023,ZINC22_3069829,MCULE-6896663064,EMOLS-id_49470252	365.245	BFAVBDWWKGTYBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107373
Brc1cnn(CCC(=O)Nc2sc3CCCc3c2C#N)c1	CoCoCo_6578865,EMOLS-id_4042596,MCULE-4039017986,ZINC22_2777526,TIMTEC442204,PC-id_4769174	365.248	SBBRWZZKDZLHDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107374
c1(C(=O)Nc2sc3c(CCC3)c2C#N)c(Br)c(n(C)n1)C	ZINC22_2779054,TIMTEC168564,MCULE-3801878517,EMOLS-id_4042590,CoCoCo_6579516,PC-id_4770343	365.248	GHUFUVDCHVPLKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107375
c1(C(=O)Nc2sc3c(CCC3)c2C#N)c(Br)c(nn1C)C	MCULE-6202023727,PC-id_4770295,TIMTEC153779,CoCoCo_6579491,EMOLS-id_4042598,ZINC22_2779007	365.248	FREVXERIWAILSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107376
c1(NC(=O)c2c(Br)cnn2CC)sc2c(CCC2)c1C#N	CoCoCo_6580355,PC-id_4772032,ZINC22_2781629,TIMTEC301161,EMOLS-id_4042604,MCULE-5852919486	365.248	LZRZQQSFOAOFMN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107377
c1(NC(=O)Cn2cc(c(C)n2)Br)sc2c(CCC2)c1C#N	EMOLS-id_4042594,CoCoCo_6013809,ZINC22_2782271,MCULE-4511015635,PC-id_4772752,TIMTEC166859	365.248	GFWIUUIWPCHPLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107378
c1(NC(=O)Cn2c(C)c(cn2)Br)sc2c(CCC2)c1C#N	ZINC22_2781746,MCULE-5047341227,TIMTEC357663,CoCoCo_6580421,EMOLS-id_4042600,PC-id_4772167	365.248	OKPNGLLFVXNNKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107379
FC(F)(F)c1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324907016	365.254	PUEBWRBQMXMAQP-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107380
FC(F)(F)c1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324907528	365.254	KILKRAWQKCGQTK-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107381
n12c(=O)c(=Cc3ccc(cc3)C(F)(F)F)sc1nc(C(F)(F)F)n2	MCULE-2613759619	365.254	PUEBWRBQMXMAQP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107382
n12c(=O)c(=Cc3ccccc3C(F)(F)F)sc1nc(C(F)(F)F)n2	MCULE-5127198162	365.254	KILKRAWQKCGQTK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107383
c1(C(=O)N2CCN(CC2)c2ccc(c(Cl)c2)Cl)c2CCCc2[nH]n1	MCULE-7812067704,PC-id_72880502,ZINC22_95368790,EMOLS-id_46621192	365.257	UVILSLBLGZBKND-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107384
Cc1cnc2n1CC[C@@H]2N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	ZINC22_2325777929	365.257	PJVLSUBDXPLOBB-KBPBESRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107385
Cc1cnc2n1CC[C@H]2N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	ZINC22_2325777930	365.257	PJVLSUBDXPLOBB-KGLIPLIRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107386
Cc1cnc2n1CC[C@@H]2N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	ZINC22_2325777931	365.257	PJVLSUBDXPLOBB-UONOGXRCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107387
Cc1cnc2n1CC[C@H]2N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	ZINC22_2325777932	365.257	PJVLSUBDXPLOBB-ZIAGYGMSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107388
Clc1cccc(c1N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)Cl	EMOLS-id_111249451	365.257	WQFGXURADAAJEA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107389
Brc1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261665	365.265	SHNFSIATYLANNW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107390
CCc1ccc(cc1)COCCC1Cn2c(O1)nc(c2C)Br	PC-id_145568412	365.265	KWTTWYXUZSWRMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107391
COc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1OC	EMOLS-id_331010491,MCULE-9254301270	365.265	FRWOTOSQFNMDAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107392
COc1ccc(Cn2nc3CCC(C)c3c2CBr)c(OC)c1	MCULE-1307953057,EMOLS-id_331010747	365.265	ZMDZUVKCPBNUBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107393
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1OC	MCULE-5227824417,EMOLS-id_331031553	365.265	OWEXBUIUABJMJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107394
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)c(OC)c1	EMOLS-id_331031809,MCULE-1564259299	365.265	DEIVEEKMVSWJHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107395
OCc1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18758700	365.274	AADQFXWXIHRTDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107396
CCCOc1ccc(cc1Br)C(=O)c1sc2c(c1)CCC2	PC-id_104657079	365.285	VMYHSDYXMBQMIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107397
COc1c(C)cc(c(c1C(=O)c1sc2c(c1)CCC2)C)Br	PC-id_104051578	365.285	WGUMPDJBTZRCSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107398
Brc1ccc(NC(=O)CNCc2sc3CCCc3c2)cc1	PC-id_61208367	365.288	HYOXTXXRFRSYEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107399
Brc1cc(N)c(c(c1)C(=O)NCc1sc2c(c1)CCC2)C	PC-id_107872496	365.288	HSDKJXWKBSTGOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107400
Brc1cc(NC(=O)CNCc2sc3CCCc3c2)ccc1	PC-id_61208565	365.288	HAUOITRTWUZWTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107401
Brc1cn(C2CC2)c(c1)C(=O)NCc1sc2c(CCC2)c1	PC-id_61208970	365.288	JOOOLEVHQWXZEY-UHFFFAOYSA-N	00100010110000000000100010000000000000000000000000000000	25-01-107402
Brc1c(NC(=O)CNCc2sc3CCCc3c2)cccc1	PC-id_61208566	365.288	JAHDHAPHDJNEGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107403
Brc1ccc(s1)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_60682868,EMOLS-id_314111207	365.29	HUXFXQQOTLBNSI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-107404
Brc1ccsc1S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_61072961,EMOLS-id_314076662	365.29	JNPMWGHZMIICMV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-107405
ClCCN(CCCl)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8903917735,EMOLS-id_328335519	365.297	DMJHMAYZAJARRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107406
Brc1c(cc([C@@H](NCCC)c2sc3CCCc3n2)cc1)C	PC-id_66480611	365.331	HMWFWWYKNJQLFI-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107407
Brc1c(cc([C@@H](NC(C)C)c2sc3CCCc3n2)cc1)C	PC-id_66481403	365.331	PTWJHVDUVSONOC-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107408
Brc1c(cc(C(NCCC)c2sc3CCCc3n2)cc1)C	PC-id_66480610	365.331	HMWFWWYKNJQLFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107409
Brc1c(cc(C(NC(C)C)c2sc3CCCc3n2)cc1)C	PC-id_66481402	365.331	PTWJHVDUVSONOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107410
Brc1c(C(NCCC)c2sc3CCCc3n2)ccc(c1)C	PC-id_81793034	365.331	GDRCHNYCDLIHBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107411
Brc1c(C(NC(C)C)c2sc3CCCc3n2)ccc(c1)C	PC-id_81793037	365.331	YPAHGKYVBZOUIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107412
c12CN(Cc1nn(CC(F)F)c2C(=O)OC)C(=O)OCc1ccccc1	MCULE-2644696310,EMOLS-id_324342126	365.331	MJPJIUHUOMGMJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107413
CCCNC(c1ccc(c(c1)Br)C)c1sc2c(n1)CCC2	PC-id_105402367	365.331	HUJRIWOYVGWFBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107414
CCCNC(c1sc2c(c1)CCC2)Cc1ccc(cn1)Br	PC-id_105036170	365.331	WZWBOIQFJPRRPK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107415
CCCNC(c1sc2c(c1)CCC2)Cc1cncc(c1)Br	PC-id_105036679	365.331	NJISDZPRVHHJJX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107416
CC(NC(c1ccc(c(c1)Br)C)c1sc2c(n1)CCC2)C	PC-id_105402381	365.331	VGUBNPCQKYWAAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107417
CCNC(c1sc2c(n1)CCC2)(Cc1ccc(cc1)Br)C	PC-id_105545911	365.331	YRDBCKPLOVKIHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107418
COc1cc(F)cc(F)c1[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)CCO1	ZINC22_2325784138	365.331	CLBNAFKUDFHULH-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107419
COc1cc(F)cc(F)c1[C@H]1CN(C(=O)c2cc3n(n2)CCO3)CCO1	ZINC22_2325784139	365.331	CLBNAFKUDFHULH-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107420
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015093,MCULE-3752096481	365.331	GYWOTWCFDTVCRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107421
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331017394,MCULE-5414313885	365.331	MLQBQKZYWPRKQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107422
CC1(c2c(CN1C(=O)Nc1ccccc1OC(F)F)c(n[nH]2)NC=O)C	SCHEMBL20060382,PC-id_134426772	365.335	WEXGXHGLLXPMJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107423
CCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(cc1)C(F)(F)F	SCHEMBL7676957,PC-id_54391729	365.346	VHCFDQKCLHOQFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107424
C1CN(CCC1c1ccccc1C(F)(F)F)C(=O)c1n[nH]c2c1COC2	SCHEMBL20695691,PC-id_137456366	365.35	SENPLCJVRPNSSZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107425
Cc1c(nc2n1CC(O2)COc1ccc(cc1)C(C)(C)C(F)(F)F)C#N	PC-id_86342441	365.35	DUJICHKJLBKFBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107426
CCOC(=O)c1c(C=C)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740034	365.35	YQYXCHQNSMNZOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107427
OC1CN(C(C1)c1ccccc1C(F)(F)F)C(=O)c1cnc2n1CCC2	EMOLS-id_318045248	365.35	PAOZICSHHDJHQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107428
OC1CN(C(C1)c1cccc(c1)C(F)(F)F)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318249620	365.35	KJTQJJFQFWIHKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107429
O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCn2nccc12	ZINC22_585081552	365.353	IFSBPSJNDVCSBA-GFCCVEGCSA-N	00000010100010101001100010000000000000000000000000000000	25-01-107430
O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCn2nccc12	ZINC22_585081553	365.353	IFSBPSJNDVCSBA-LBPRGKRZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-107431
O=C(N1CCn2c1ccn2)C1CCCN(C1)c1ncccc1C(F)(F)F	MCULE-6952612251,EMOLS-id_177203061	365.353	IFSBPSJNDVCSBA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-107432
C1C(CN1C(=O)c1cc(c(cc1)F)F)C(=O)Nc1c2CSCc2no1	PC-id_90513845	365.355	QYCIPWPDHPTONN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-107433
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2913508,PC-id_68438780	365.361	FQMLJAMAQURDBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107434
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)Nc1ccccc1	PC-id_68441673,SCHEMBL2921675	365.361	QFHBQIITYRCITM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107435
Fc1c(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)Nc2ccccc2)cccc1	PC-id_68442979,SCHEMBL2924827	365.361	HXRJKZHWONICFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107436
c1(nn(cn1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)N(=O)=O	CoCoCo_153942,CK1782060,SPECS-id_AK-968/11841020,SCHEMBL8289749,MCULE-8851732586,EMOLS-id_1294045,Chemmine_29421,ChEMBL-DNDi_CHEMBL5836780,BAS-00924215,ZINC22_1836879,STOCK2S-31284,PC-id_1611834	365.364	LRIPDHLGXWVKMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107437
O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCn2ccnc12	ZINC22_1468299998	365.364	JFLNMSYREZZMTB-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-107438
O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCn2ccnc12	ZINC22_1468300001	365.364	JFLNMSYREZZMTB-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107439
O=C(C1CCCC(C1)C(F)(F)F)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375545	365.371	WTEXEBLLGZAOQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107440
O=C(c1cnn2c1CCC2)NS(=O)(=O)C1CCC(CC1)C(F)(F)F	EMOLS-id_112080734	365.371	QLNKMPDBJUIVPC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107441
O=C(c1nn2c(c1)CCC2)NS(=O)(=O)C1CCC(CC1)C(F)(F)F	EMOLS-id_112080764	365.371	KCOMWIILYSBREZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107442
Cc1ccc(cc1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL12920573,PC-id_70797840	365.383	AXOADUMUYDSEJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107443
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1=C=O)OC(C)(C)C	SCHEMBL14562858,PC-id_89370667	365.384	LJPDCQMYMQOLDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107444
c12CN(Cc1cnn2CCO)C(=O)c1cccc(c1)c1nccnc1OC	PC-id_118795593,MCULE-8258037274,EMOLS-id_68941014,ZINC22_299792167	365.386	FHYZFZZLAPSOPB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107445
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ocnc2C)n1	MCULE-2605849186	365.386	MXXKRVCKCRVPAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107446
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ocnc2C)n1	EMOLS-id_316331320,MCULE-5545919038	365.386	MXXKRVCKCRVPAO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107447
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cc(on1)C	MCULE-3133306330	365.386	REBDLBMNSJWITN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107448
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cc(on1)C	MCULE-9550740685,EMOLS-id_316318517	365.386	REBDLBMNSJWITN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107449
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1ccoc1C	EMOLS-id_316324144,MCULE-7086465224	365.386	LCVGDSBHJMDSMD-AWEZNQCLSA-N	00000010101000101001000010000000000000000000000000000000	25-01-107450
CC1CC(=O)N(C1=O)CC(c1nc2n(n1)nc(c2=C)Oc1ccccc1)C	PC-id_57604298,SCHEMBL13741375	365.386	UJAZLSJLKKZBQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107451
Cc1c(n(c(c1)O)CC(C)c1nn2c(n1)c(=C)c(n2)Oc1ccccc1)O	PC-id_91489903	365.386	PMIQMNPMNRBJQF-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-107452
CN1CC[C@@](C1=O)(O)C#Cc1ccnc(c1)NC(=O)c1n[nH]c2c1CCC2	PC-id_122508474,SCHEMBL18039355	365.386	ZQHYZMIAKGAAAO-IBGZPJMESA-N	00000010100000101001000010000000000000000000000000000000	25-01-107453
O=C(c1cnn2c1CC(C2)NC(=O)c1ccoc1C)NCc1cccnc1	MCULE-9585121469	365.386	LCVGDSBHJMDSMD-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-107454
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1occc1C)NCc1ccccc1	PC-id_68440867,SCHEMBL2919252	365.386	IMMBBSIESSOUOF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107455
O=C(NCCc1nnc2n1CCC2)c1ccc(NC(=O)c2ccco2)cc1	MCULE-6099050034,ZINC22_58420740,PC-id_51111774,EMOLS-id_33340575	365.386	CHDXXVRYHHVXSQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107456
c1(C(=O)NCc2cccnc2)cnn2CC(Cc12)NC(=O)c1cnn(C)c1	MCULE-7797562135	365.389	XCHFWIZNIKJOMY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107457
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1ccn(C)n1	MCULE-5044609854,EMOLS-id_316321597	365.389	YHWODPWPESXVSG-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107458
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cn(cn1)C	MCULE-6396782587,EMOLS-id_316322608	365.389	CZXNNPNTQZNEEQ-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107459
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cnn(C)c1	EMOLS-id_316320061,MCULE-6190738205	365.389	XCHFWIZNIKJOMY-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107460
Cn1ccc(n1)C(=O)NC1Cc2n(C1)ncc2C(=O)NCc1cccnc1	MCULE-2743468922	365.389	YHWODPWPESXVSG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107461
Cn1cnc(c1)C(=O)NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1	MCULE-4356853137	365.389	CZXNNPNTQZNEEQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107462
Cn1cnc(C(=O)NC[C@H]2CCc3ncc(C(=O)Nc4ccccc4)n23)n1	ZINC22_1565553976	365.389	IGHJKQOSDSCNGK-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107463
Cn1cnc(C(=O)NC[C@@H]2CCc3ncc(C(=O)Nc4ccccc4)n23)n1	ZINC22_1614933475	365.389	IGHJKQOSDSCNGK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107464
Cn1cnc(n1)C(=O)NCC1CCc2ncc(C(=O)Nc3ccccc3)n12	EMOLS-id_313761743	365.389	IGHJKQOSDSCNGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107465
COc1cc(c2cccc(C(=O)NCc3nnc4n3CCC4)c2)nc(N)n1	MCULE-2716739086,PC-id_119074853,EMOLS-id_82743493,ZINC22_426737345	365.389	FWMMWKGADQPKSX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107466
C1CC(CC1CC(C1N(Cc2cncn12)C(F)(F)F)O)c1ccccc1	SCHEMBL20743948,PC-id_137500175	365.393	SUEIOJOZGZQFIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107467
FC(c1cccc(c1)C1(CCOCC1)CNC1CCn2c1ncc2)(F)F	EMOLS-id_318288133	365.393	FVDJYEJHTHUCDI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107468
FC(c1cccc(c1)C1(CCOCC1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318052543	365.393	FFNRVHKFKWMVFW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107469
c1(c(cccc1F)F)CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-1430470210,EMOLS-id_328133363	365.394	QHPUJSUKCPLCFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107470
CCOC(=O)c1c(N=Cc2ccc(cc2)OC(F)F)sc2c1CCC2	EMOLS-id_317342503,PC-id_2377883,MCULE-7311992493	365.394	FFPRKBVIDFOCMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107471
CCOC(=O)c1c(NC(=O)C(F)(F)c2ccccc2)sc2CCCc12	MCULE-8802694629,EMOLS-id_328092897	365.394	SJLWZTLUANTMMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107472
OC(=O)CCN(C(=O)c1sc2c(c1)CCC2)Cc1ccc(c(c1)F)F	MCULE-7893137563,PC-id_119207862,EMOLS-id_52126793	365.394	UBECIWFLRPQVNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107473
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1c(F)cc(F)cc1)C	PC-id_78469335	365.394	UHHWJZVYVWMKQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107474
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](c1c(F)cc(F)cc1)C	PC-id_7291844	365.394	UHHWJZVYVWMKQI-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-107475
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](c1c(F)cc(F)cc1)C	PC-id_7291845	365.394	UHHWJZVYVWMKQI-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107476
s1c2c(CCC2)c(c1/N=C/c1ccc(OC(F)F)cc1)C(=O)OCC	PC-id_9660964	365.394	FFPRKBVIDFOCMQ-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107477
c1(CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)c2CCCc2nn1C	EMOLS-id_324588862,ZINC22_1888856994,MCULE-2731916576	365.396	KBRNVCTUFKVPJD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-107478
Cc1nn2c(n1)C(=NNc1c(cnn1C1=NCCN1)C#N)C(=N2)C(C)(C)C	PC-id_89279464	365.396	UVRVIUIXECJGGY-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-107479
n12N=C(C(C)(C)C)C(=NNc3n(ncc3[N+]#[C-])C3=NCCN3)c1nc(n2)C	PC-id_59702880	365.396	VYJFOCJHSKCURE-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-107480
n12N=C(C(C)(C)C)/C(=N/Nc3n(ncc3[N+]#[C-])C3=NCCN3)/c1nc(n2)C	PC-id_59702905	365.396	VYJFOCJHSKCURE-JJFYIABZSA-N	00000011100000000001100010000000000000000000000000000000	25-01-107481
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(cc1C)OC	ZINC22_67673742,EMOLS-id_36574570,MCULE-1337758427,PC-id_56742626	365.401	FWFSIURZJPQKLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107482
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccccc1OCC	EMOLS-id_36617356,MCULE-5846747263,PC-id_56760559,ZINC22_71315387	365.401	FLTSREXFTQZXHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107483
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(cc1OC)C	ZINC22_67490320,EMOLS-id_36567479,MCULE-2729091281,PC-id_56739924	365.401	DKQJTWVCVJHJCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107484
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cc(C)ccc1OC	EMOLS-id_36617196,ZINC22_71315219,PC-id_56760490,MCULE-9872587130	365.401	VLLQNVDCXJXVDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107485
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cccc(OC)c1C	MCULE-7333630588,ZINC22_67513845,PC-id_56740166,EMOLS-id_36568111	365.401	MYPRAJSCAQJPRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107486
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)COc1ccc(cc1)C	PC-id_56750743,ZINC22_67713704,EMOLS-id_36594509,MCULE-9909758774	365.401	ZRXZMXMBKRLAKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107487
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cncnc1CCC	PC-id_77091969,ZINC22_216035862,MCULE-5140837177,EMOLS-id_49889727	365.404	XUFIGHNDHBVFQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107488
CC1CC(c2n1ncn2)NCc1ccc(cc1)C(=O)Nc1ccc(cc1)F	EMOLS-id_319363337	365.404	VGZWRMWJPGXFGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107489
CC(C)Oc1ccc(C(=O)O)cc1NS(=O)(=O)c1cnc2n1CCC2	MCULE-8406140832,ZINC22_484978731,EMOLS-id_313191186	365.404	SGVMTKFMIKSORU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107490
COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1cnc2n1CCC2	ZINC22_484970645,MCULE-2369853714,EMOLS-id_316874798	365.404	HCRJLPQBJYHQJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107491
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(C)C)C(=O)OC	PC-id_7266348	365.404	ADESNKSKHMZOGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107492
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)CN(C1=O)C)C(=O)OCC	PC-id_8014683	365.404	DPXIRVRXDOEXRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107493
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN1CCCC1=O)C(=O)N	PC-id_8938190	365.404	HHZILIABVSDNIC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107494
c1(NC(=O)c2ccc(cc2)N2C(=O)CCC2=O)sc2c(CCC2)c1C#N	ZINC22_1518560,EMOLS-id_3002457,CoCoCo_3268183,MCULE-7943072304,PC-id_1548768,GD-id_ZINC01518560	365.406	SGRIWUXCMMSDCT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-107495
c1(NC(=O)c2cc(on2)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBLC226-0779,PC-id_17252850,EMOLS-id_15970050,MCULE-9522005338,ZINC22_2465565,TIMTEC241059	365.406	JKWBKXHLKIHMPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107496
c1(NC(=O)c2cc(on2)c2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_15970182,PC-id_17252876,MCULE-4099020148,ZINC22_4880816,TIMTEC428828	365.406	RMFLQASLEHGJGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107497
c1(NC(=O)c2noc(c3ccccc3OC)c2)sc2c(CCC2)c1C#N	PC-id_17252898,MCULE-6152077490,ZINC22_4880863,TIMTEC378455,EMOLS-id_15970310	365.406	PHUULEWACYAQCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107498
Cc1ccc(OCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)cc1	EMOLS-id_324869638	365.406	ZUSLDFLUIDFQNN-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107499
Cc1ccc(OCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)cc1	EMOLS-id_324869635	365.406	MAXUANMVKYEOAL-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107500
Cc1ccc(O)c(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324845301	365.406	DUDKFAVVADMXET-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107501
COc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324834292	365.406	LWZHYDMMNNNXJZ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107502
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCc1ccccc1	ZINC22_13810578,EMOLS-id_2410055,STOCK2S-56251	365.406	JCTYNYHGVMCBBX-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107503
COc1cc(/C=c/sc3ncnn3c2=O)ccc1OCc1ccccc1	ZINC22_632327,EMOLS-id_207280642	365.406	JCTYNYHGVMCBBX-LICLKQGHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107504
COc1ccccc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324842225	365.406	XSIGINKQYADXIR-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107505
COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1ccc(o1)C)/c2=O	ZINC22_5156966,STOCK4S-61814,EMOLS-id_206996696	365.406	OSWOROFIKCMSQD-FAIWILQLSA-N	00000000101000110001000010000000000000000000000000000000	25-01-107506
COc1ccccc1OCc1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324869131	365.406	MSMWESSWZIZSHB-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107507
COc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324840703	365.406	YPXTWWHFRHYNQK-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107508
COc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324843249	365.406	URXGELMFICWAAJ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107509
COc1cccc(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)c1	EMOLS-id_324871182	365.406	BECNDVSOSCLPAO-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107510
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1ccccc1OC	MCULE-5705910794	365.406	MSMWESSWZIZSHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107511
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1cccc(OC)c1	MCULE-4234476598	365.406	BECNDVSOSCLPAO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107512
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1ccccc1	MCULE-1588368798	365.406	DUDKFAVVADMXET-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107513
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1ccccc1	MCULE-2519848303	365.406	XSIGINKQYADXIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107514
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)COc1ccccc1	MCULE-2700106281	365.406	YPXTWWHFRHYNQK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107515
n12nc(nc1sc(=Cc1ccc(C)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-5152199501	365.406	OSWOROFIKCMSQD-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-107516
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCOc1ccccc1	MCULE-3867324396	365.406	QMANKWJMRULZAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107517
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1ccc(cc1)C	MCULE-5133260448	365.406	ZUSLDFLUIDFQNN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107518
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1ccccc1	MCULE-6168001238	365.406	URXGELMFICWAAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107519
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O	EMOLS-id_688762,MCULE-4449805837	365.406	JCTYNYHGVMCBBX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107520
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)CCOc1ccccc1	MCULE-4194430487	365.406	PXPFZBOCXOYQJQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107521
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)COc1ccc(cc1)C	MCULE-6167255576	365.406	MAXUANMVKYEOAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107522
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)Cc1ccccc1	MCULE-1268496244	365.406	LWZHYDMMNNNXJZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107523
Oc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324847355	365.406	PXPFZBOCXOYQJQ-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107524
Oc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324847358	365.406	QMANKWJMRULZAD-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107525
COc1ccc(cc1C(=O)NCC1Cc2nnc(C)n2C1)S(=O)(=O)N	MCULE-6019739148,PC-id_137345842,EMOLS-id_317466254	365.407	YJJYMRHURFCMPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107526
COc1ccc(cc1)NC(=O)C1CCc2nnc(n12)CN[S+](=O)(C)[O-]	PC-id_134799844	365.407	IPUNNEGMCOGWDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107527
COc1cc(ccc1S(=O)(=O)N(C)C)NC(=O)N1CCn2c1ncc2	MCULE-8502476280,EMOLS-id_320029640	365.407	HPHHFIQUNXIQFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107528
COc1ccc(S(=O)(=O)N)cc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1772707345	365.407	YJJYMRHURFCMPP-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-107529
COc1ccc(S(=O)(=O)N)cc1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1772707347	365.407	YJJYMRHURFCMPP-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107530
O=C(c1n[nH]c2c1CCC2)N1CCN(S(=O)(=O)Cc2ccon2)CC1	EMOLS-id_320395815,ZINC22_266463697,MCULE-9692686203,PC-id_145892722	365.407	ZBQCXIHTMFICTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107531
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(c(cc([N+](=O)[O-])c1)C)C	PC-id_16796459	365.407	VKTOCSSERKJBMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107532
c1(NC(=O)Cn2nnnc2c2cccc(N)c2)sc2c(CCC2)c1C#N	MCULE-1292391541	365.412	FKYATSOBRKXZRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107533
c1(NC(=O)CNc2cccc(c2)n2cnnn2)sc2c(CCC2)c1C#N	EMOLS-id_320667705,MCULE-7450671445	365.412	AEWHNIQQVAKPPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107534
c1(NC(=O)CNc2ccc(cc2)n2cnnn2)sc2c(CCC2)c1C#N	MCULE-8620315929,EMOLS-id_320716335	365.412	YMNHDDDUKCMQEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107535
c1(C(F)F)c2CCCc2n(CC(=O)NC(C(C)(C)C)Cn2cccn2)n1	TIMTEC318406,EMOLS-id_8867205,PC-id_19590860,MCULE-8544581651	365.421	MSWGIJZFXBSFPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107536
CC(C)(C)[C@@H](Cn1cccn1)NC(=O)Cn1nc(C(F)F)c2c1CCC2	PC-id_51853080,ZINC22_36613704	365.421	MSWGIJZFXBSFPY-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107537
CC(C)(C)[C@H](Cn1cccn1)NC(=O)Cn1nc(C(F)F)c2c1CCC2	PC-id_51853081,ZINC22_36613705	365.421	MSWGIJZFXBSFPY-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107538
CCOC(=O)c1oc2c(c1OC(=O)C(C)(C)C)CCN2C(=O)C(C)(C)C	PC-id_100965915	365.421	WQQNAJFKYODXMJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107539
O=C(CC1(Cc2c(C1)cn(c2)C(=O)OC(C)(C)C)C(=O)O)OC(C)(C)C	SCHEMBL8901774,PC-id_23358969	365.421	GUSNFVGHLVSZDR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107540
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)F)n(C)nc2CCCc12	ZINC22_23135716,CoCoCo_5273031,MCULE-3955330765,PC-id_30859149,EMOLS-id_24910432	365.422	WEAVVGWNZBHEGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107541
Fc1cc(ccc1OC1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100967806	365.422	PWNAHSFKRMZTDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107542
O=C(Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)Cc1ccc(cc1)F	CoCoCo_2666506,PC-id_5130263,CHEMBL1323346	365.422	KIOIKNYUPQHLID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107543
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cccs1)C(=O)OC	BAS-03752705,EMOLS-id_1439803,MCULE-6655468072,STOCK2S-59076,PC-id_2789202	365.424	GVQZZGIWNDIDDW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107544
Cc1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)ccc1F	EMOLS-id_324840189	365.424	NACALGYRMIWAJB-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107545
Cc1ccc(CCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1	EMOLS-id_324905485	365.424	UVPOIYSPDMHPFA-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107546
Cc1ccc(CCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324906511	365.424	STKAVXOHJCWOMA-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107547
Cc1ccc(CCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1	EMOLS-id_324904461	365.424	LBVNRALSWNWDCM-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-107548
CCc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324836092	365.424	GNFBHBXZCHTQHH-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107549
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1cccs1)CCC2C(=O)O	SCHEMBL10817178,PC-id_70450377	365.424	BNMBXVDGNURJTM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107550
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1cscc1)CCC2C(=O)O	SCHEMBL10816649,PC-id_70450204	365.424	GBLJKRGJBAIDFR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107551
COC(=O)c1c(NC(=O)c2cccs2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_306211,PC-id_1167041,ZINC22_921071	365.424	GVQZZGIWNDIDDW-QMMMGPOBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107552
COC(=O)c1c(NC(=O)c2cccs2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_921070,CoCoCo_306212,PC-id_1167040	365.424	GVQZZGIWNDIDDW-MRVPVSSYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107553
COC(=O)c1c(NC(=O)COC(=O)c2cccs2)sc2c1CCC2	CoCoCo_2927540,PC-id_16384541,EMOLS-id_43725266,ZINC22_9255071,MCULE-7373074868	365.424	QBXBDNDXEPRJDX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107554
COC(=O)c1c(NC(=O)COC(=O)c2ccsc2)sc2c1CCC2	PC-id_16357564,EMOLS-id_3698499,MCULE-5776487809,ZINC22_12567757,CoCoCo_3907447	365.424	TWQKCPVDTVOEIR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107555
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)Cc1ccc(F)cc1	MCULE-8946878155	365.424	GNFBHBXZCHTQHH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107556
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CCc1ccc(cc1)C	MCULE-6148024825	365.424	LBVNRALSWNWDCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107557
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCc1ccc(cc1)C	MCULE-6418203567	365.424	UVPOIYSPDMHPFA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107558
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCc1ccc(cc1)C	MCULE-2373105463	365.424	STKAVXOHJCWOMA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107559
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)CCc1ccccc1	MCULE-7994013477	365.424	NACALGYRMIWAJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107560
O=C(c1sc2c(c1)CCC2)Nc1cc(cc(c1)S(=O)(=O)C)C(=O)O	PC-id_119257670,EMOLS-id_52316619,MCULE-9479205435	365.424	YUORRTXNPMAFCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107561
s1c2c(CCC2)c(C(=O)NC2CCCC2)c1NC(=O)COCC(=O)[O-]	PC-id_27519975	365.424	GWJUPVAUFRSVRO-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-107562
CC(N(CCC#N)C(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-4076965513,EMOLS-id_328337565	365.426	DIKZPDLHSHTRJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107563
COc1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109342	365.426	QWAGIWRNHDIQFV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107564
COc1cccc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109343	365.426	PJEDBWKGTNWCNN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107565
COc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109344	365.426	JBKVSYYANMMRMH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107566
Fc1cc(CNC2CC(n3c2ncn3)C)ccc1N1CCCS1(=O)=O	EMOLS-id_279085949	365.426	YFBFOUNMCTZYSO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107567
n12CCC(C(=O)N3CCC(CC3)C(=O)N)c1ccc2C(=O)c1ccccc1	PC-id_46861252,EMOLS-id_31548202,MCULE-2008041775	365.426	JMPRRFBIFAELQY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-107568
NC(=O)C1CCN(C(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)CC1	PC-id_52340356,ZINC22_51364403	365.426	JMPRRFBIFAELQY-INIZCTEOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-107569
NC(=O)C1CCN(C(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)CC1	PC-id_52340357,ZINC22_51364404	365.426	JMPRRFBIFAELQY-MRXNPFEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-107570
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)COc1ccccc1	PC-id_92109383	365.426	CBKFBVRQBAVFJX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107571
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)OCc1ccccc1	PC-id_92109523	365.426	LFWRGSKQRZJCIC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107572
c1(C(=O)OCC)c2CCCc2sc1N/C=C
/C(=NC(=NC1=O)S)O	CoCoCo_1807290,ZINC22_13138831,CoCoCo_1807288,CoCoCo_1807287,MCULE-1010729858,EMOLS-id_3741142,CoCoCo_1807289,PC-id_5914657,EMOLS-id_46499664,BindingDB_PC-id_5914657,STOCK3S-83418,BindingDB-id_196809	365.427	YKJJXRWSKIFQNG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-107573
c1(N=CC2C(=O)NC(=S)NC2=O)sc2c(CCC2)c1C(=O)OCC	CHEBI:105663,MCULE-6319320361,PC-id_4259095	365.427	PPSLRDNSYWDYKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107574
c1(NC(=S)NNC(=O)c2ccco2)sc2c(CCC2)c1C(=O)OC	TIMTEC186606,PC-id_4508312,CoCoCo_6797543,MCULE-3111627998,EMOLS-id_4042997	365.427	HCCUPAHPJSJSSX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-107575
C[C@H]1OC(=O)[C@H]1[C@]1(C)N=C(C([C@@H]1C)SC1C[n+]2n(C1)cnc2)C(=O)O	PC-id_138715000	365.427	VLPQCXGLNDWXGU-SQWOCYPTSA-O	00001011100000000001100010000000000000000000000000000000	25-01-107576
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@H]1CCn2c1[n+](C)cn2)O	PC-id_101657586	365.427	UYMMFVAAEOITSP-KAMPLNKDSA-O	00001011100000000001001010000000000000000000000000000000	25-01-107577
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CCn2c1[n+](C)cn2)O	PC-id_101657588	365.427	UYMMFVAAEOITSP-ISUQUUIWSA-O	00001011100000000001001010000000000000000000000000000000	25-01-107578
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@H]1CC[n+]2c1n(C)nc2)O	PC-id_101659460	365.427	GBXDWSDUTDAGKQ-KAMPLNKDSA-O	00001011100000000001001010000000000000000000000000000000	25-01-107579
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@H]1Cn2c(C1)[n+](cn2)C)O	PC-id_101657582	365.427	IDZQHHSNDXIHML-VFWMFTPISA-O	00001011100000000001001010000000000000000000000000000000	25-01-107580
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1Cn2c(C1)[n+](cn2)C)O	PC-id_101657584	365.427	IDZQHHSNDXIHML-SXLYUPOASA-O	00001011100000000001001010000000000000000000000000000000	25-01-107581
CCOC(=O)c1c2CCCc2sc1/N=C/C1C(=O)NC(=S)NC1=O	ChEMBL-DNDi_CHEMBL1986363,CoCoCo_1807285,PC-id_6050693,EMOLS-id_27016455	365.427	PPSLRDNSYWDYKX-OMCISZLKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107582
CCOC(=O)c1c(/N=CC2C(=O)NC(=S)NC2=O)sc2c1CCC2	CoCoCo_1807286	365.427	PPSLRDNSYWDYKX-SOFYXZRVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107583
CCOC(=O)c1c(sc2c1CCC2)/N=C/c1c([nH]c(=S)[nH]c1=O)O	PC-id_135451666	365.427	QTYIFVZHYXXURX-OMCISZLKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107584
O1C(CCCN2CCN(C(C)(C)C)C(=O)C2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081174,SCHEMBL5536808	365.427	ALTVKWAGZKRJTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107585
O=C(N1Cc2c(C1=O)scc2)NCCc1ccc(cc1)S(=O)(=O)N	PC-id_56612788,SCHEMBL11222912	365.427	ZWRJUJCQCZVNDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107586
O=C(N1CCC(CC1)CCN1CCn2c1c(cn2)[N+](=O)[O-])OC(C)(C)C	PC-id_58464885,SCHEMBL2526072	365.427	NBCKAZMSSHUWGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107587
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1scnc1C)C(=O)N	PC-id_55768941	365.427	LNXXXGIZHRCERS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107588
s1c2CCCc2c(c1NC(=O)COC(=O)CN1CCSC1=O)C#N	PC-id_9003498	365.427	LCNDMMKFNJFYKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107589
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1CC[n+]2c1n(nc2)C	PC-id_85121355	365.427	GBXDWSDUTDAGKQ-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-107590
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)O)C1Cc2n(nc[n+]2C)C1	PC-id_10090170	365.427	IDZQHHSNDXIHML-IECIGANESA-O	00001011100000000001001010000000000000000000000000000000	25-01-107591
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)O)C1CC[n+]2c1n(nc2)C	PC-id_10361409	365.427	GBXDWSDUTDAGKQ-MSLOPDLNSA-O	00001011100000000001001010000000000000000000000000000000	25-01-107592
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)O)C1CCn2nc[n+](c12)C	PC-id_10090172	365.427	UYMMFVAAEOITSP-MSLOPDLNSA-O	00001011100000000001001010000000000000000000000000000000	25-01-107593
c1(c2ccccc2C)noc(CCC(=O)N(C)Cc2[nH]nc3CCCc23)n1	PC-id_50975316,MCULE-5070384231,ZINC22_67850836,EMOLS-id_32419520	365.429	IMWLXFXMRXIEML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107594
c1(C(=O)NCc2c3CCCc3nn2C)cc(c2cccc(OC)c2)nn1C	MCULE-6027368221,EMOLS-id_53884661,ZINC22_225818200,PC-id_91819396	365.429	RFCYSGMSWHUMLW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107595
Cc1ccc(c2cnc(CCC(=O)NCc3nnc4n3CCC4)o2)cc1C	ZINC22_32889130,CoCoCo_4560556,EMOLS-id_25003063,PC-id_40124267,MCULE-4135505639	365.429	IOKRQVGIPIXUFI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107596
CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)Cn1ccccc1=O)C2	EMOLS-id_313736401,ZINC22_2055718348	365.429	DNZJALYQJDGBLM-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-107597
CN(Cc1onc(c1)C(=O)NCc1[nH]nc2c1CCC2)Cc1ccccc1	PC-id_29088631,CoCoCo_1276333,CoCoCo_1276332,CoCoCo_1276331,CoCoCo_1276334	365.429	HJDWAEGKEXYWBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107598
COc1cnccc1C(=O)N1Cc2c(Cn3cccc3)nn(C(C)C)c2C1	ZINC22_2055718354,EMOLS-id_313736145	365.429	GFTCODUFSRGZLG-UHFFFAOYSA-N	00000010110000101001000010000000000000000000000000000000	25-01-107599
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1nnc(CCCO)[nH]1	EMOLS-id_328222077,MCULE-9454279850	365.429	ORJJTYRQJSDBCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107600
O=C(Nc1n(nc2c1CCC2)C)c1cc(CN(Cc2oncc2)C)ccc1	PC-id_56720814	365.429	QAWIPNUIFCDDQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107601
c1(c(C)sc(c2ccno2)c1)S(=O)(=O)NCc1nnc2CCCn12	ZINC22_1506404722,MCULE-4975484397,EMOLS-id_316238629	365.431	VGZTZBHHISTXIM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-107602
Cc1nn(C)c2sc(C(=O)NS(=O)(=O)c3cnc4n3CCC4)cc12	MCULE-3898979521,PC-id_136541034,EMOLS-id_110481259,ZINC22_408022411	365.431	SRVXJJDRZBZKFV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-107603
Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)[nH]c1=O	EMOLS-id_3106398,CoCoCo_3632928,CoCoCo_3632929,PC-id_135443953,MCULE-1271112970,ZINC22_5695607	365.431	YGDVONWXVSYKCS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107604
NC(=O)c1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)sc2c1CCC2	MCULE-2823961435,CoCoCo_2968398,PC-id_135413118,EMOLS-id_44512157,ZINC22_12486783	365.431	MOTUDFWWRQOMDO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107605
c1(CN(C)C(=O)Nc2c(CC)ccc(c2)n2cnnc2)c2CCCc2[nH]n1	PC-id_72881170,EMOLS-id_49157546,MCULE-7714556936,ZINC22_96148149	365.432	BKZQTVUWBFTZMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107606
c1(NC(=O)NCc2nnc3CCCn23)cc(nn1c1ccccc1)C(C)C	MCULE-7609827570,EMOLS-id_49650974,PC-id_74236008,ZINC22_97480302	365.432	YHHXOCLXTBNCTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107607
CC(C)c1cc(NC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)[nH]n1	ZINC22_192287944	365.432	HTVGNRKRIALLPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107608
C[C@H](N)c1nc(c2ccccc2)nn1CC(=O)NCc1n[nH]c2c1CCC2	MCULE-1405378887,PC-id_145931611,ZINC22_1857683498,EMOLS-id_323979581	365.432	VLWLWWUUQNCJFJ-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107609
CCNC(=NCc1coc(n1)c1ccccc1)NCc1nnc2n1CCC2	PC-id_111553467	365.432	OJHKSNZHYOUVMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107610
CN=C(NCc1nnc2n1CCC2)NCc1coc(n1)c1ccc(cc1)C	PC-id_111590499	365.432	GMEOGVRPYYTOED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107611
N#Cc1ccc(N2CCC(C(=O)NCCc3nnc4n3CCC4)CC2)nc1	PC-id_53528111,EMOLS-id_36273851,ZINC22_69529127,MCULE-9011865969	365.432	PRUXVLKHLUADAL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-107612
s1nc(SC)nc1N/N=C/1c2n(nc(n2)C(C)C)N=C1NC(=O)C	PC-id_59913533	365.437	TZPTUFAQSWQCPU-APSNUPSMSA-N	00000011100000000001000010000000000000000000000000000000	25-01-107613
s1nc(SC)nc1NN=C1c2n(nc(n2)C(C)C)N=C1NC(=O)C	PC-id_72594702	365.437	TZPTUFAQSWQCPU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-107614
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(F)cc1)C(=O)OC	PC-id_7546175	365.442	LUOKQJXOYONJIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107615
s1c2c(CCC2)c(c1NC(=O)CSc1c(F)cccc1)C(=O)OC	PC-id_16520329	365.442	LWVUZCSURKWKHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107616
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C1CCCCC1)C(=O)OC	EMOLS-id_1089904,MCULE-7815728432,STOCK2S-59498,BAS-05209262,PC-id_2788035	365.444	NWXDGZLXHUHIRT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107617
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCC2)c1C(=O)OCC	MCULE-5177237104,EMOLS-id_2197378,TIMTEC508835,PC-id_2931627	365.444	VRJCVLURZYXJNO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107618
CCOC(=O)c1c(NC(=O)C2CCC(CC2)C(=O)O)sc2CCCc12	MCULE-8103656026,EMOLS-id_328015398	365.444	REWJSYMPYWYNEH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107619
CCOC(=O)c1c(NC(=O)CC2(C(=O)O)CCCC2)sc2c1CCC2	PC-id_24535584,EMOLS-id_44005850,MCULE-8239225052,ZINC22_13255673	365.444	YDVONANURUFSHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107620
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_1011092,CoCoCo_899099,ZINC22_4613968	365.444	VRJCVLURZYXJNO-WDEREUQCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107621
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_1011094,CoCoCo_899101,ZINC22_4613967	365.444	VRJCVLURZYXJNO-GHMZBOCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107622
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_1011095,ZINC22_4613965,CoCoCo_899100	365.444	VRJCVLURZYXJNO-QWRGUYRKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107623
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_4613964,CoCoCo_899098,PC-id_1011096	365.444	VRJCVLURZYXJNO-MNOVXSKESA-N	00000010100010000000000010000000000000000000000000000000	25-01-107624
COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_332535,PC-id_1078359,ZINC22_791384	365.444	NWXDGZLXHUHIRT-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107625
COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1078360,CoCoCo_332536,ZINC22_791386	365.444	NWXDGZLXHUHIRT-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-107626
COC(=O)c1c(NC(=O)CC2(C(=O)O)CCCCC2)sc2c1CCC2	EMOLS-id_30692660,ZINC22_13249703,PC-id_25738657,MCULE-7098247609	365.444	OLTQKJFZYGDIDZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107627
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)OC	PC-id_51530573	365.444	JEYJCQCPMANNRX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107628
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCCC1)C(=O)OCC	PC-id_7717479	365.444	GQDNBNGTQCEDRC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107629
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCCCC1)C(=O)OC	PC-id_41585252	365.444	NMXRWVNTIBMNGO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107630
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC1CCCC1)C(=O)OC	PC-id_45684426	365.444	GULLRWYHBYVCAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107631
O=C(C1CCn2c1ccc2C(=O)c1cccs1)OCCc1ccccc1	PC-id_20356087,SCHEMBL11667716	365.445	OGEIARYKMLUWPK-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-107632
CN1CCN(CC1)C1(CCCCC1)CNC(=O)c1nn2CCOc2c1F	PC-id_91960056	365.446	NVMDUYCPOVVGOC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107633
FC1(CCN(C2CCOCC2)CC1)C(=O)N1C(c2[nH]nc(N)c2C1)(C)C	SCHEMBL2671442,PC-id_67491529	365.446	YYHXIKXLGAVQAX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107634
c1(NC(=O)CNC(=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335914,MCULE-3453778753	365.447	JLJUAEIFCDWRCT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107635
CCOC(=O)c1c(NC(=O)N2CCN(C(=O)C)CC2)sc2c1CCC2	CHEMBL4472553	365.447	FHPUTZRSXKQSKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107636
CCOC(=O)N1CCCC(C1)C(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-4885618104,EMOLS-id_27397857,PC-id_42949103	365.447	RVQFDIDNKMAUHJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107637
CCOC(=O)N1CCC[C@H](C1)C(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4731112,PC-id_37723058	365.447	RVQFDIDNKMAUHJ-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107638
CCOC(=O)N1CCC[C@@H](C1)C(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4731113,PC-id_37723064	365.447	RVQFDIDNKMAUHJ-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107639
CC(=O)Nc1sc2c(c1C(=O)O/N=C(/C1CC1)N)C(OC2(C)C)(C)C	PC-id_118158581,SCHEMBL16817397	365.447	KHZDJAAUAXMVBY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-107640
COC(=O)c1c(NC(=O)CN2CCN(C(=O)C)CC2)sc2c1CCC2	ZINC22_48614202,MCULE-2885146460,PC-id_40628529,EMOLS-id_48931753	365.447	CQRPEWIUFQXGLX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107641
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)OC)C(=O)N	PC-id_8742617	365.447	ASIDFSKDGGIWCW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107642
c1(NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C(=O)NC	MCULE-7501366517,EMOLS-id_334331614	365.449	HXDZWHMLDVNNBY-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-107643
Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1sc2CCCc2c1C#N	PC-id_108805538,EMOLS-id_182631121,MCULE-6003471262	365.449	NCUDKOKKBYEPKD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-107644
Cc1cccc(Cn2cccc(C(=O)Nc3nc4c(s3)CCC4)c2=O)c1	EMOLS-id_48780210,PC-id_48146678,MCULE-8674400317,ZINC22_63702591	365.449	LGIIVMKLSHVRHD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-107645
n12nc(nc1sc(=CC1CCC=CC1)c2=O)C=Cc1ccc(cc1)OC	MCULE-6952729088	365.449	BUJPINXMNIFEDJ-UHFFFAOYSA-N	00000000100011110001000010000000000000000000000000000000	25-01-107646
O=C(C1CC(=O)N(Cc2ccccc2)C1)Nc1c(C#N)c2c(CCC2)s1	MCULE-9661276289,EMOLS-id_322627904	365.449	XJRIQVBGTMBEAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107647
c1(NC(=O)CSc2scc(C(=O)O)n2)sc2c(CCC2)c1C#N	MCULE-7007108520,EMOLS-id_324872290	365.45	JEHQYEJCDOLCAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107648
Cc1oc(nc1C)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100205323	365.451	FXAGDIJFNCCOPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107649
Cc1onc(c1CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100186437	365.451	WITLMKRPNJVYDJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107650
CC(c1onc(n1)C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100223434	365.451	NPEZGWDUQBVLFP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107651
CC(c1onc(n1)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100182723,MCULE-7483511892	365.451	IWCNGJZLRGHIKD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107652
CC(C)c1nc([C@@H]2CCCN(S(=O)(=O)c3cnc4n3CCC4)C2)no1	ZINC22_329990359	365.451	IWCNGJZLRGHIKD-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107653
CC(C)c1nc([C@H]2CCCN(S(=O)(=O)c3cnc4n3CCC4)C2)no1	ZINC22_329990360,PC-id_164629233	365.451	IWCNGJZLRGHIKD-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107654
c12SCCn1cc(CNC(=O)c1ccc(cc1)c1c(C)ncc(C)n1)n2	PC-id_119067031,MCULE-1678829258,ZINC22_426519180,EMOLS-id_82722469	365.452	DNHYGZFOJVAHCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107655
Cc1cnc(cn1)CNC(=O)c1cc2c(s1)CCN2Cc1cccnc1	PC-id_97410568	365.452	NYXWBDRGAFQADF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107656
n12CCCc1nnc2CNC(=O)c1ccc(cc1)CSc1ccccn1	ZINC22_828157810,MCULE-7294572014,EMOLS-id_232854354	365.452	YBKVUJBOOOLAQK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-107657
n1c2CCCc2sc1CCNC(=O)c1ccc(cc1)c1cncc(N)n1	ZINC22_2356164086,MCULE-7429892381,EMOLS-id_337808248	365.452	DZPOFCPWCMCYJJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107658
C=Cc1ccc(cc1)C(=O)c1c(C)cc2n1CCC2C(=O)OCCC(C)C	SCHEMBL10817934,PC-id_20253963	365.465	HDQKYCWGKCGSRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107659
CCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2C(=O)OCCC	PC-id_20253919,SCHEMBL10818278	365.465	WPTDJIYSITUOPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107660
CCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	PC-id_20253898,SCHEMBL10812966	365.465	TWAGGPJQOVDWSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107661
COC(=O)c1cc2c([nH]1)CCC2CC1=CC(CC=C1)C1CC=C(C=C1)CO	SCHEMBL12952061,PC-id_70806041	365.465	YUXOOFPOAKYZRV-UHFFFAOYSA-N	00000010100011000000100010000000000000000000000000000000	25-01-107662
c12CN(Cc1nn(CC(C)C)c2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	EMOLS-id_324346724,MCULE-7214175718	365.467	DICPVLGVXJKQOT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107663
CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_59460986	365.467	WKVYKWVTLSFUNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107664
s1c2c(CCC2)c(c1NC(=O)CSCc1occc1)C(=O)OCC	PC-id_24158510	365.467	VAZDSVCSNSMGGH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-107665
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCN1CCCC1=O	EMOLS-id_328209022,MCULE-6007017941	365.469	AYNVITCIAYHEIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107666
c12c(CCC1C(=O)OCC)sc(NC(=O)Cc1c(C)nc(C)s1)n2	EMOLS-id_30779687,MCULE-1468033208,PC-id_49676801	365.47	IQHPJUGKXYTCJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107667
CC1CCc2c1c(I)nn2Cc1c(C)cccc1C	EMOLS-id_330980349,MCULE-8225089015	366.24	PBIMVNPGYZBARG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107892
c1(NC(=O)CSc2nccn2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5034357,MCULE-1741102483,ZINC22_705493,PC-id_1035415,CoCoCo_1929502,TIMTEC299599	365.47	LXXQPUKPZLDOSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107668
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CC(=O)N1CCCC1	EMOLS-id_186582085,MCULE-9847127553	365.47	ITERYZSHEGJPEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107669
Cc1ccccc1N(CC(=O)Nc1nc2c(s1)CCC2)S(=O)(=O)C	EMOLS-id_24955399,ZINC22_25768224,CoCoCo_4164241,MCULE-9801413240,PC-id_33039896	365.47	XEMOOVSOWQWFCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107670
CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cc3sc(C)nc3C)nc12	PC-id_52177247,ZINC22_42382893	365.47	IQHPJUGKXYTCJE-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107671
CCOC(=O)[C@H]1CCc2sc(NC(=O)Cc3sc(C)nc3C)nc12	PC-id_52177248,ZINC22_42382897	365.47	IQHPJUGKXYTCJE-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-107672
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CNC2C	PC-id_144742128	365.47	JWGFYSWVNXPRAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107673
Cn1ncc2c1CN(C2)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_67128179,SCHEMBL1704950	365.47	RCWJHYDKQPUGDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107674
CNC(=O)c1ccc(cc1)S(=O)(=O)NCCc1nc2CCCc2s1	MCULE-3866812399,EMOLS-id_316170955,ZINC22_921604188	365.47	LZGKKLKRGLVDKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107675
NCCNS(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1	PC-id_119465431,ZINC22_238005652,EMOLS-id_301579987,MCULE-1919110104	365.47	XMILZCMVUBXFBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107676
s1c2CCCc2cc1C(=O)Nc1c(N(C)C)ccc(S(=O)(=O)N)c1	PC-id_9302581	365.47	SLEBJXSBOXUFAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107677
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)C)C)C(=O)N	PC-id_9276520	365.47	WKHCIULRQVDETK-JTQLQIEISA-O	00000010100010000001000010000000000000000000000000000000	25-01-107678
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)C(=O)C)C)C(=O)N	PC-id_9276523	365.47	WKHCIULRQVDETK-SNVBAGLBSA-O	00000010100010000001000010000000000000000000000000000000	25-01-107679
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)C(=O)C)C)C(=O)N	PC-id_84969117	365.47	WKHCIULRQVDETK-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-107680
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC[NH+]1CCCCC1)C(=O)N	PC-id_25824813	365.47	HJCMTNNFASGQES-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-107681
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)ccn1)C(=O)OC	PC-id_42255112	365.47	WUABTEOUIKIRPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107682
s1c2CCCc2c(c1NC(=S)NC(=O)CCC(=O)OCCC)C#N	PC-id_4955513	365.47	QLGDDLAFYIWNCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107683
s1c2CCCc2nc1NC(=O)c1c(ccc(S(=O)(=O)NCC)c1)C	PC-id_33040794	365.47	HSALSXWTGBYAPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107684
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1	PC-id_33040768	365.47	TXFBYFUSGKSTPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107685
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1	PC-id_33040716	365.47	JUXXRVJVUBYARW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107686
c1(NC(=O)c2cccc(c2)c2scc(C)n2)sc2c(CCC2)c1C#N	EMOLS-id_322837690,MCULE-2615444799	365.472	YZYCEPDBOPRXAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107687
CC1CCc2c1c(I)nn2Cc1cccc(C)c1C	EMOLS-id_330980605,MCULE-2127500514	366.24	DHCKIDUBUKZHKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107893
c1(NC(=O)c2c(C)nc(c3ccccc3)s2)sc2c(CCC2)c1C#N	MCULE-2008757189,ZINC22_7996207,EMOLS-id_2646662,PD121366,CoCoCo_2243817,PC-id_9124185	365.472	LBSRXDSYKFAERE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107688
c1(NC(=O)c2cnc(c3ccc(cc3)C)s2)sc2c(CCC2)c1C#N	EMOLS-id_322835386,MCULE-3330312330	365.472	FDQGKOILMAVNMI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107689
c1(NC(=O)c2cnc(c3ccccc3C)s2)sc2c(CCC2)c1C#N	MCULE-3183646025,EMOLS-id_322834874	365.472	QNZANOJVIKQQSV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107690
c1(NC(=O)c2cnc(c3cccc(C)c3)s2)sc2c(CCC2)c1C#N	MCULE-3695735104,EMOLS-id_322835130	365.472	CMNHZXCXPHRGFW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107691
Cc1c(C(=O)Nc2c(C#N)c3c(CCC3)s2)ccc(c2sccc2)n1	MCULE-6958166885,EMOLS-id_322859752	365.472	DJTBBCDBNHYTSD-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-107692
CCc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	EMOLS-id_45970322,ZINC22_27022118	365.472	PRDSEWDIGPFCIY-KDNHCMJDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-107693
CSc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324835062	365.472	IPQKRMILTCCCEJ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107694
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)C=Cc1cccs1	MCULE-1661763591	365.472	PRDSEWDIGPFCIY-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-107695
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)Cc1ccccc1	MCULE-6905031964	365.472	IPQKRMILTCCCEJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107696
n12nc(nc1sc(=Cc1sccc1C)c2=O)C=Cc1ccc(cc1)C	MCULE-8371526264	365.472	NLAZLLUIQZDCPX-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-107697
O=C(c1n[nH]c2c1CCC2)Nc1cccc(c1)N1CCN(CC1)CC1CC1	EMOLS-id_98483756	365.472	BBHSQWTVWAAUCG-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-107698
c1(NC(=O)CSc2nnc(C)n2CC)sc2c(CCC2)c1C(=O)N	MCULE-6223916673,PC-id_43812612,ZINC22_35290352,ASN-05646124	365.474	UDPMSKBTOXXCNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107699
CCNC(=NCc1nnc2n1CCC2)NCCCNC(=O)OC(C)(C)C	PC-id_111020633	365.474	JVUYEPIWSAIIPR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107700
CN=C(NCc1nnc2n1CCC2)NCC(NC(=O)OC(C)(C)C)(C)C	PC-id_111771864	365.474	MTRXQPAHQFKWOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107701
s1c2CCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)CCC	PC-id_27684764	365.474	GTKOJFQDQSTAFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107702
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(CC)cnn1)C)C(=O)N	PC-id_8236338	365.474	JYRLQZNCNOJEFG-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107703
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(CC)cnn1)C)C(=O)N	PC-id_8236339	365.474	JYRLQZNCNOJEFG-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107704
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(c(nn1)C)C)C)C(=O)N	PC-id_8288123	365.474	PJDWVXKNIHNENJ-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107705
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(c(nn1)C)C)C)C(=O)N	PC-id_8288124	365.474	PJDWVXKNIHNENJ-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107706
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)cnn1)C(=O)N	PC-id_7352424	365.474	YQGVNXZCKLXASH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107707
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(CC)cnn1)C)C(=O)N	PC-id_78638813	365.474	JYRLQZNCNOJEFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107708
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(C)cnn1)(C)C)C(=O)N	PC-id_23903098	365.474	WQLQKMHCFXNFHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107709
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)CCC)C(=O)N	PC-id_16586964	365.474	MSWOPDPNECIKOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107710
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)C(C)C)C(=O)N	PC-id_4119332	365.474	WQUUKSYSPUXWKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107711
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC)C)C(=O)N	PC-id_56402243	365.474	WXMRTSIOFNPXLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107712
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)C)C)C)C(=O)N	PC-id_78655311	365.474	PJDWVXKNIHNENJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107713
CCCSP(=S)(ON=C1C(CC)Sc2n1ccn2)OCC	PC-id_54276840,SCHEMBL11059207	365.475	RNZHZCQWVKPQDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107714
N1(CC1)CCN(CC)c1ccc(/N=C/c3n(nc(n3)C(C)C)N=C2C)cc1	PC-id_20606913	365.475	WVLYYBAEJJDSBV-DYTRJAOYSA-N	00100011100000110001000010000000000000000000000000000000	25-01-107715
c12SCCn1cc(CNc1cc(N)nc(SCC(=O)N(C)C)n1)n2	EMOLS-id_46045507,ZINC22_91494237,PC-id_72865972,MCULE-6966900378	365.477	LVKMPUWSMOHHNT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107716
OC(=O)c1c(NC(=O)C2C(C2(C)C)(C)C)sc2c1C(C)(C)OC2(C)C	SCHEMBL2162224,PC-id_67300672	365.487	VEBVWOGFMFTYAW-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-107717
OC(=O)c1c(sc2c1C(C)(C)OC2(C)C)NC(=O)C1(C)C(C1(C)C)C	SCHEMBL4090758,PC-id_68908398	365.487	ONIBLLTUVHNZPA-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-107718
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCCOCC	PC-id_52451155	365.487	UXPZVUPMXIQKEV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107719
O=C(Nc1c2CSCc2nn1C(C)(C)C)CSc1ccc(cc1)F	PC-id_121030670	365.489	JJHNNLYQKHUKSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107720
CCN1CCN(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCC3)CC1	CHEMBL4580473	365.49	MVUNAAPODGSYBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107721
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CN1CCN(CC)CC1	ZINC22_22440663,MCULE-2701040288,CoCoCo_3564314,PC-id_1537256,ChEMBL-DNDi_CHEMBLF0745-0902,CoCoCo_3564315	365.49	FFAOSOOBFAJPRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107722
CN1CCN(CC1)C(=O)CC1CSc2n1cc(c2C(=O)OC(C)C)C	PC-id_139819446	365.49	GGOBMYWKTBXKPN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107723
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CC(=O)NCCCOC	PC-id_51239298	365.49	JEPGGXJADHIRCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107724
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CCC)C(=O)OC	PC-id_22196944	365.49	JXTIXCLHRMECJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107725
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C)C)C(=O)OCC	PC-id_10570868	365.49	WDDQJYSOCCDXPL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107726
Cc1csc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	MCULE-7321950480,EMOLS-id_328214910	365.492	IMXKSDJJXAXOJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107727
Cc1nn(c2ccccc2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCC2	MCULE-6157144276,PC-id_9502348,ZINC22_8388759,EMOLS-id_13468769,CoCoCo_3877734	365.492	ZTUZWQFSMFGJOW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107728
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc2c(s1)CCC2	PC-id_8943820,CoCoCo_4161341,MCULE-5122080860,ZINC22_7824182,EMOLS-id_13548965	365.492	XPQHBPCRZCXPOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107729
CC(c1ccccc1Oc1ncccc1Nc1sc2c(n1)CCC2)(C)C	PC-id_59129098,SCHEMBL12681071	365.492	FAUJAZXTYXKREE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-107730
CC(C)c1csc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	EMOLS-id_328223614,MCULE-2314667425	365.492	QGUDPTKRIAMQFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107731
N#Cc1c(NC(=O)C(N2CCC(C2)c2ccccc2)C)sc2c1CCC2	EMOLS-id_98980909	365.492	FNAHYIQFRYPCEQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-107732
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)c1ccccc1)C#N	PC-id_51313678	365.492	NYUKFYQIYPDREK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-107733
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccccc1)CC=C)C#N	PC-id_56101715	365.492	CSRJPKBWFXOYEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107734
c1(NC(=O)C(=O)N2CCN(CC2)CC)c2CSCc2nn1C(C)(C)C	PC-id_7685582,MCULE-7778617763,CoCoCo_5184730,ZINC22_56965501,EMOLS-id_5617938,Chemmine_48496	365.494	FATXBNNPGPVIGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107735
CC1CC(CN1C(=O)NCCc1cn2c(n1)SCC2)N1CCOCC1	EMOLS-id_98895850	365.494	MBQXBZNZVOKRDG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107736
CCN(C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)c1sc2c(n1)CN(C2)C)N)C	PC-id_142198025	365.494	XOKMWJDXJQCSIN-SDDRHHMPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107737
CN1Cc2c(C1)nc(s2)C(=O)N([C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C)C	PC-id_142213676	365.494	JLLXBZCGTICENT-GMXVVIOVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107738
CN1CCN(CC1)C(=O)CCNC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000114	365.494	YNTGSYGWNNBJNI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107739
CNC(=O)CN1CCC(CC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000060	365.494	BDUVCOZALYHYET-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107740
O=C(N1CCN(CC1)C1CCOCC1)NCCc1cn2c(n1)SCC2	EMOLS-id_99857348	365.494	BFJAWMHLPABKGQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-107741
O=C(N1CCN(CC1)C(C(=O)N)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003765	365.494	CMRQLWGPMWBDGS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107742
O=S(=O)(c1cnc2n1CCC2)Nc1cc(nn1C(C)(C)C)C(C)(C)C	EMOLS-id_100967857	365.494	PCQQYTLYNFARJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107743
s1c2CCCc2c(c1NC(=O)CSc1sc(NCC)nn1)C#N	PC-id_8348858	365.497	IXUKBIYQSKUABR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107744
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C)C(=O)OCC	PC-id_4750741	365.51	HLRWBFSAEMYDIK-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-107745
s1c2c(CCC2)c(c1NC(=O)C[NH+](C1CCCCC1)C)C(=O)OCC	PC-id_2355247	365.51	YXVVBJZXBDGEKC-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-107746
s1c(NC(=O)C[N+](C2CCCC2)(C)C)c(c2CCCc12)C(=O)OCC	PC-id_8875535	365.51	HEINPSMGVFCJNR-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-107747
Cc1cccc(c1)CCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109949	365.512	ZFGRBBJBQXFUSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107748
CCC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccccc1	PC-id_92109818	365.512	YPUCVAFZMBEZFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107749
CNC1CCC(CC1)N(C)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8421793758,EMOLS-id_328341393	365.512	AFDGXMZZWPFELJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-107750
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC1(CCCCC1)CN	MCULE-9848393393,EMOLS-id_328214651	365.512	DSLPNQHNTPDOAC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-107751
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCN1CCCC1	EMOLS-id_328215414,MCULE-8811350356	365.512	WOVHDOLGPZTDDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107752
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCCc1ccccc1	PC-id_92109820	365.512	MWRKEJORRKKOHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107753
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCN1CCCCC1	EMOLS-id_186640749,MCULE-9968080996	365.513	BMBFLSRWLPISBR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-107754
Cn1nc(CN(C2CCCC2)S(=O)(=O)c2cccs2)c2CCCc12	EMOLS-id_50145376,PC-id_86266605,MCULE-5493707787	365.513	KKVSLQSPAUGXLD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-107755
N#Cc1c(NC(=O)CCN2CC(C)S(=O)C(C2)C)sc2c1CCC2	EMOLS-id_100465154	365.513	AGLYRIRNISYYEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107756
N#Cc1c(NC(=O)CCN2CCS(=O)CC2(C)C)sc2c1CCC2	EMOLS-id_101736418	365.513	OAVCGVHGHAJKIV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107757
N#Cc1c(NC(=O)C(N2CC(C)S(=O)C(C2)C)C)sc2c1CCC2	EMOLS-id_100459826	365.513	SQFUPUDKXCOJSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107758
N#Cc1c(NC(=O)C(N2CCS(=O)CC(C2)C)C)sc2c1CCC2	EMOLS-id_100849641	365.513	FWMQWLKXASBDSK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-107759
N#Cc1c(NC(=O)C(SCCN2CCOCC2)C)sc2c1CCC2	EMOLS-id_98245585	365.513	PNJGNKCPANIOOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107760
s1c2c(CCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)OC	PC-id_4994442	365.53	QVJOXOUXGBWBSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107761
s1c2c(CCC2)c(c1NC(=O)CCCCCCCCC)C(=O)OCC	PC-id_3580855	365.53	WXFKCLKQXCBBLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107762
Cn1nc(c2c1CCC2)CN(S(=O)(=O)C1CCCCC1)C1CCCC1	PC-id_92110052	365.533	TVWDRNNRLZGATD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107763
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCCN1CCN(C(C1)(C)C)C	EMOLS-id_102008877	365.537	OSSBYAUTACRIRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107764
Clc1c2n(CCC2(C(=O)O)C(=O)O)c(c1C)C(=O)c1ccc(F)cc1	PC-id_20526403,SCHEMBL11269133	365.74	JSDFPRQDLFUPGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107765
Clc1ccc(cc1)N(C(=O)[O-])CCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69482734,SCHEMBL5547127	365.748	UZZCNVMBVDRXJH-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-107766
Clc1ccc(cc1C(F)(F)F)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316423786,MCULE-9346271513	365.759	JGTRFJCZZDGSLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107767
Clc1ccc(c(c1)C(F)(F)F)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316617019	365.759	VPVWKGGUQSJSKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107768
Cn1ncc2c1CN(C2)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F	EMOLS-id_316453143,MCULE-3631363525	365.759	DNFDZLJKCAJVAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107769
O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc2n1CCC2	ZINC22_682157022,MCULE-9955958916,EMOLS-id_313133350	365.759	UYDIITHSJTZINF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107770
c1(C(F)(F)F)nn(c(C(=O)NCc2cn3c(SCC3)n2)c1Cl)C	ZINC22_97515038,MCULE-7344845693,PC-id_74237214,EMOLS-id_49653430	365.762	VJPBVIUOGKXKGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107771
F[C@H]1CCN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl	SCHEMBL19583662	365.79	DLBYTRIASMBANN-PXYINDEMSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107772
C1Cc2c(C1)sc(c2)C(=O)N/N=Cc1cc(cc(c1O)[N+](=O)[O-])Cl	PC-id_135749600	365.791	JSOWHUXTCOAADI-IDUWFGFVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107773
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1cc(cc(c1O)[N+](=O)[O-])Cl	PC-id_135749601	365.791	JSOWHUXTCOAADI-REZTVBANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107774
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCC2)c1C(=O)N	MCULE-3738280924,SPECS-id_AK-968/15605698,ZINC22_673299,EMOLS-id_5127496,TIMTEC55502,CoCoCo_5830559,PC-id_1012376	365.791	AOKBIUPGVQPXLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107775
Clc1ccc(c(c1)[N+](=O)[O-])C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4794610,EMOLS-id_15242941,CoCoCo_3218597,MCULE-8245545067	365.791	JVYKTKPCBSCKKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107776
Clc1ccc(C(=O)n2n3c(SCC3=O)c(c2=N)C(=O)OCC)cc1	PC-id_3460793	365.791	AKYNWVUEQOCHAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107777
ClC1=CC(=CNNC(=O)c2sc3CCCc3c2)C(=O)C(=C1)[N+](=O)[O-]	PC-id_9462509	365.791	LKGHWQJVTXXBBT-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-107778
Clc1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_26872719	365.791	ILBGICIMCNFCAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107779
Clc1c(C(=O)NNC(=O)c2sc3CCCc3c2)ccc([N+](=O)[O-])c1	PC-id_26832538	365.791	OGBISFQDCRHCRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107780
NC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_6329257,PC-id_4503990	365.791	WIGSIASGUBTYTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107781
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2	ZINC22_6861889,PC-id_4503988	365.791	DCFKFWGLNKGJHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107782
NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2	ZINC22_6330152,PC-id_4503984	365.791	YMDDXSKPMICYPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107783
Clc1ccc(C(=O)c2n(c3C(C(=O)Oc3c2)C)Cc2ccccc2)cc1	SCHEMBL7678575,PC-id_9820499	365.81	MENHAHPMZGOFGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107784
N#Cc1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)c1ccccc1Cl	PC-id_140261675	365.813	XQBSGQPFSNJQTH-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107785
Clc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1OCCOC	PC-id_60554240	365.815	LSSCFVFCDWFYKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107786
O=C(NC[C@@]1(O)CCN(Cc2cc3n(n2)CCC3)C1)c1cc(Cl)no1	ZINC22_1875332865	365.815	OMKIQVXCEOKZLN-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107787
O=C(NC[C@]1(O)CCN(Cc2cc3n(n2)CCC3)C1)c1cc(Cl)no1	ZINC22_1875332866	365.815	OMKIQVXCEOKZLN-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107788
c1(c(cccc1Cl)O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328173605,MCULE-1007901964	365.831	GYLPPAPXVGLIIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107789
c1(cccc(Cl)c1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328143444,MCULE-3555549457	365.831	SGKIMQKIIYCISS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107790
c1(cc(Cl)ccc1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328067319,MCULE-6040362618	365.831	KCTRFWVNJJDSAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107791
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2199573,PC-id_1292082,MCULE-5855220094,ChEMBL-DNDi_CHEMBL7263294,ZINC22_1114117,CoCoCo_902912,TIMTEC63239	365.831	AUMROUCZXLWSNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107792
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	TIMTEC117735,SPECS-id_AS-871/11152178,PD116335,MCULE-9304585432,STOCK1S-89259,CoCoCo_5795205,PC-id_984892,ZINC22_631443,EMOLS-id_638704	365.831	DDAYQIFHJQCORK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107793
c1(NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C(=O)OC	ZINC22_622537,PC-id_978662,CoCoCo_1708534,TIMTEC394238,SPECS-id_AF-399/13428282,EMOLS-id_603947,MCULE-9717938758,SPECS-id_AT-225/NB60121	365.831	PZMHIVSTYGNFRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107794
c1(NC(=O)COc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	PC-id_978663,EMOLS-id_603949,Chemmine_7012,CoCoCo_725674,ChEMBL-DNDi_CHEMBL5988840,SPECS-id_AT-225/NB60122,TIMTEC44413,SPECS-id_AF-399/13428283,ZINC22_622538,MCULE-4112503308	365.831	AJXQICSLHHOTNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107795
Clc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1OC	PC-id_7623839	365.831	YEBKTQYXDARQMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107796
Clc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)c(OC)cc1	PC-id_3323293	365.831	HQGWENZJGSNINK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107797
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(S(=O)C)cc1	PC-id_20528141,SCHEMBL10933394	365.831	YERRUTIOFGNZNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107798
COc1ccc(cc1Cl)C(C(=O)O)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_72634535,PC-id_121962814,MCULE-3745532589	365.831	NHOLGHJBYFFBRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107799
O=C(C1CC1c1cccc(c1)Cl)NS(=O)(=O)c1cnc2n1CCC2	PC-id_102562738,EMOLS-id_50570967,MCULE-7326380064	365.835	RILPGHDHUHYZKJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-107800
O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@@H]1C[C@H]1c1cccc(Cl)c1	PC-id_99793830,ZINC22_170609400	365.835	RILPGHDHUHYZKJ-QWHCGFSZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-107801
O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@@H]1C[C@@H]1c1cccc(Cl)c1	PC-id_99793831,ZINC22_170609401	365.835	RILPGHDHUHYZKJ-CHWSQXEVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-107802
O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@H]1C[C@H]1c1cccc(Cl)c1	ZINC22_170609398,PC-id_99793828	365.835	RILPGHDHUHYZKJ-STQMWFEESA-N	00100010100000110001100010000000000000000000000000000000	25-01-107803
O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@H]1C[C@@H]1c1cccc(Cl)c1	ZINC22_170609399,PC-id_99793829	365.835	RILPGHDHUHYZKJ-OLZOCXBDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-107804
Clc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_45970198,ZINC22_27021806	365.836	NUFNILODNLTCIO-ZBUTWXCBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107805
Clc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021695,EMOLS-id_45970164	365.836	PTFZDIBRXFMRFS-NJAVVXAXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107806
Clc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_27021595,EMOLS-id_45970122	365.836	ZLCJPWSCCAQQCM-KDNHCMJDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107807
Clc1sc(S(=O)(=O)Nc2sc3CCCc3n2)cc1[N+](=O)[O-]	PC-id_80735219	365.836	JXHCTQNLSDCJMV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-107808
n12nc(nc1sc(=Cc1ccccc1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-7220649555	365.836	KOXBRPZVDPCAGE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107809
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)C=Cc1ccccc1	MCULE-2176665832	365.836	NUFNILODNLTCIO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107810
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)C=Cc1ccccc1	MCULE-2606825362	365.836	PTFZDIBRXFMRFS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107811
n12nc(nc1sc(=Cc1cccc(Cl)c1)c2=O)C=Cc1ccccc1	MCULE-8599559792	365.836	ZLCJPWSCCAQQCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107812
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(N)cc1Cl	EMOLS-id_328217463,MCULE-7737183767	365.856	DXLULNPPCRAZSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107813
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(N)c(Cl)c1	EMOLS-id_328217719,MCULE-3958750815	365.856	XGECLUFBHKZHDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107814
CC(C)c1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324846826	365.861	YYVWUQUOTSTMAU-WTKPLQERSA-N	00000000100000000001000110000000000000000000000000000000	25-01-107815
CCCc1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324848864	365.861	GCPOBBZRLKTHKT-UITAMQMPSA-N	00000000100000000001000110000000000000000000000000000000	25-01-107816
n12c(=O)c(=Cc3c(Cl)nc4scc(C)n34)sc1nc(C(C)C)n2	MCULE-7850828265	365.861	YYVWUQUOTSTMAU-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-107817
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CCC	MCULE-4968361676	365.861	GCPOBBZRLKTHKT-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-107818
CCc1cc2n(c1C(=O)c1scc(c1)Cl)CCC2C(=O)OC(C)C	PC-id_20356149,SCHEMBL11660958	365.874	MWKAMGGVAQYFSW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107819
COc1c(sc2c1CCC2)C(=O)NCCC(c1ccccc1Cl)O	PC-id_91956510	365.874	OKCGXQLSFATCAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107820
c1(NC(=O)COc2ccc(cc2)Cl)c2CSCc2nn1C(C)(C)C	MCULE-4674124229,CHEMBL1483225,ChEMBL-DNDi_CHEMBLF0396-0297,EMOLS-id_5426403,CoCoCo_4972742,PC-id_3240355,ChEMBL-DNDi_CHEMBL1483225,ZINC22_3892416	365.878	WLZCPFLNFVKKDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107821
Clc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100214137	365.878	CZFWFSSMMSFCEO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107822
Clc1cccc(c1)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100370310	365.878	KBOHPPWPDRXFOE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-107823
Clc1cc(C(=O)Nc2n(nc3c2CSC3)C(C)(C)C)c(OC)cc1	PC-id_5074313	365.878	LWPBXJSVBBJFSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107824
CCN(CC)C(=O)c1c(nc2n1CCS2)NCc1cnc(cc1)Cl	SCHEMBL8027950,PC-id_88239275	365.881	JSGMALVJONAFKZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107825
CCN(CC)C(=O)c1c(nc2n1CCS2)N(C)c1cnc(cc1)Cl	SCHEMBL8027952,PC-id_88239276	365.881	RLLGVDSZYIQBJY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107826
Clc1cnn(c1)C1CCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010680	365.881	AOIHZAXEABJSMI-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-107827
Clc1c(ccc(NC(=S)NNC(=O)c2sc3CCCc3c2)c1)C	PC-id_8745989	365.901	LPDNMJKRNRHMFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107828
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1	PC-id_9115779,CoCoCo_3687494,EMOLS-id_3656882,CoCoCo_3687493,MCULE-4294543080,ZINC22_7986743	365.901	MPRJGEWGXGFUCE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-107829
CC1OC2=C(SC(=C2O1)C(C)(C)I)C(C)(C)C	PC-id_147983487	366.015	ITRDOZDLAAZOQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107830
C[C@]1(CN2C=C(N=C2O1)[N+](=O)[O-])CCN(C3=CC=C(C=C3)Cl)C(=O)O	PC-id_153874051	366.073	UZZCNVMBVDRXJH-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107831
Clc1cc(Cl)c(c(c1C(=O)c1sc2c(c1)CCC2)Cl)Cl	PC-id_105349464	366.09	IPNUWQYLEXMVON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107832
CC1CN(CC1NCC2=C(SN=N2)Cl)C(=O)C3=NNC4=C3CCC4	PC-id_154703844	366.103	GDVCNBMTGXJJOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107833
FC(F)(F)c1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324907530	366.146	WBLDHYQHUMLFBK-DAXSKMNVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107834
FC(F)(F)c1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324910088	366.146	VMMVHYJDVWIHFL-BAQGIRSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107835
FC(F)(F)c1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324908553	366.146	KSUGRZDISNIJHA-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107836
n12c(=O)c(=Cc3ccc(cc3Cl)Cl)sc1nc(C(F)(F)F)n2	MCULE-4976467833	366.146	VMMVHYJDVWIHFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107837
n12c(=O)c(=Cc3ccc(c(Cl)c3)Cl)sc1nc(C(F)(F)F)n2	MCULE-6862114554	366.146	KSUGRZDISNIJHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107838
n12c(=O)c(=Cc3cccc(Cl)c3Cl)sc1nc(C(F)(F)F)n2	MCULE-7824992196	366.146	WBLDHYQHUMLFBK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107839
OC(=O)c1sc2c(c1Br)CN(C2)C(=O)C1(C)CC1(F)F	EMOLS-id_278913167	366.179	UCGMQMCMGKWTBY-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-107840
COC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCC3=NN4CCCC4=C3	PC-id_154798811	366.18	HIAUOOQSHULCTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107841
Brc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1ccc(F)cc1	SCHEMBL11005157,PC-id_20405018	366.182	SSQVJACUBGIZEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107842
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(F)cc1	SCHEMBL11272647,PC-id_13068191	366.182	DBYCWGAVOCJXMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107843
n12ncnc1sc(=Cc1cc(Br)ccc1OC(=O)C)c2=O	MCULE-2065457961	366.19	JJOKEIUPBAZCLH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-107844
CC1CCc2c1c(C=O)nn2Cc1ccccc1I	EMOLS-id_331003638,MCULE-3362595481	366.197	RNXPGIZBYHEKPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107845
CC1CCc2c1c(C=O)nn2Cc1cccc(I)c1	EMOLS-id_331003382,MCULE-5812917367	366.197	VNMDPUMFTLDAGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107846
CC1CCc2c1c(C=O)nn2Cc1ccc(I)cc1	EMOLS-id_331003126,MCULE-7092221731	366.197	WGSGWASORBAZDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107847
CC1CCc2nn(Cc3ccccc3I)c(C=O)c12	EMOLS-id_330987441,MCULE-8422526493	366.197	FZQDWHREGXUCDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107848
CC1CCc2nn(Cc3cccc(I)c3)c(C=O)c12	EMOLS-id_330987185,MCULE-2845681167	366.197	SPFTYOFQGUDYCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107849
CC1CCc2nn(Cc3ccc(I)cc3)c(C=O)c12	MCULE-4222682613,EMOLS-id_330986929	366.197	IYXZVLVIARJMRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107850
Clc1c(Cc2[nH]nc3c2C(N(C3=O)C)C=CC(=O)O)ccc(Cl)c1	PC-id_66917831,SCHEMBL1137752	366.199	ARSWMTDRLIJSFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107851
Clc1c(Cc2[nH]nc3c2C(N(C3=O)C)/C=C/C(=O)O)ccc(Cl)c1	SCHEMBL1137749,PC-id_66917828	366.199	ARSWMTDRLIJSFA-SNAWJCMRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107852
Brc1cc(oc1)C(=O)c1n2c(C(CC2)C(=O)OC(C)C)cc1	PC-id_20356161,SCHEMBL11660974	366.207	PCDFBTDLEPCKNV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-107853
Brc1oc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2)cc1	PC-id_20356159,SCHEMBL11660669	366.207	ZZLKHZZMIHMSCZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-107854
c1(C(=O)Nc2c(Br)cc(c(OC)c2)OC)c2CCCc2[nH]n1	EMOLS-id_335144349,MCULE-1114906332	366.21	DOKGKNWHVOYMPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107855
c1(C(=O)Nc2c(OC)cc(c(OC)c2)Br)c2CCCc2[nH]n1	EMOLS-id_335134609,MCULE-7965579244	366.21	UNJYZVFNMOLDFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107856
OCc1cc(cc(c1)CO)NC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_258020141,MCULE-6893992408	366.21	DUICKIFERMDGGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107857
OCc1cc(ccc1CO)NC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_316538834	366.21	PTCVTTLXTLDTKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107858
CN(C(=O)c1cc(Br)c(nc1O)C)Cc1nnc2n1CCC2	EMOLS-id_318104458	366.213	FIRVAQPYVUVFJF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107859
OC1CC(C1n1cccn1)NC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_278891797	366.213	PZWVNAIBQCZYLU-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-107860
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(Cl)Cl)C(=O)OC	CHEMBL1503976,MCULE-2956926291,EMOLS-id_1859347,PC-id_2789251,STOCK2S-62857	366.217	ZJMJTLFMPPKEKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107861
ClC(Cl)C(=O)Nc1sc2c([C@@H](CC2)C(=O)OC)c1C(=O)OC	PC-id_7081671,CoCoCo_5840084	366.217	ZJMJTLFMPPKEKC-RXMQYKEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107862
ClC(Cl)C(=O)Nc1sc2c([C@H](CC2)C(=O)OC)c1C(=O)OC	PC-id_7081672,CoCoCo_5840085	366.217	ZJMJTLFMPPKEKC-YFKPBYRVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-107863
c12CN(Cc1nn(CC1CCCCC1)c2Br)CC(F)(F)F	EMOLS-id_324337772,MCULE-9497969840	366.22	OVZZHBHJBKGCJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107864
c1(C#N)c2CCCc2sc1N=Cc1c(Cl)cc(c(N(=O)=O)c1)Cl	MCULE-7371534043,PC-id_1504886	366.222	NXNABDJAJLZKOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107865
N#Cc1c(/N=Cc2cc([N+](=O)[O-])c(cc2Cl)Cl)sc2c1CCC2	CoCoCo_1898687	366.222	NXNABDJAJLZKOM-GXHLCREISA-N	00000010100000110000000010000000000000000000000000000000	25-01-107866
N#Cc1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2c1CCC2	ZINC22_1424131,MCULE-2187443150,CoCoCo_1898686,PC-id_9595650,EMOLS-id_27025489,TIMTEC345877,ChemDIV8002-7870	366.222	NXNABDJAJLZKOM-FBCYGCLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107867
C1C(c2c(C1=O)scc2)N(c1c(c(ccc1)Cl)Cl)c1n[nH]nn1	PC-id_90822647	366.225	GHEGOUOGHAGBNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107868
Clc1cccc(c1Cl)n1nnnc1NC1CC(=O)c2c1ccs2	SCHEMBL3288222,PC-id_68582434	366.225	OWICJEKQCQZZNM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107869
CC1CCc2c1c(I)nn2Cc1ccc(C)cc1C	MCULE-4479020315,EMOLS-id_330977782	366.24	QVFNBXROFFQFGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107894
c1(C(=O)N)c2C(C)CCc2n(Cc2c(F)ccc(C)c2Br)n1	MCULE-9039642914,EMOLS-id_331038473	366.228	PCXYTXSTHGYYHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107870
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(C(=O)N)c12	MCULE-8468254804,EMOLS-id_331020467	366.228	CEFXHBRLMYBXPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107871
Brc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	STOCK1S-84010,EMOLS-id_3198521,PC-id_1805816,ZINC22_2157576,MCULE-6928803946,CoCoCo_3801561	366.23	CGPQQZZNEUWQMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107872
Brc1cc(c(NC(=O)c2sc3CCCc3c2)cc1)C(=O)O	PC-id_45434229	366.23	CSKAGRXMVUMKAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107873
Brc1cc(NC(=O)c2sc3CCCc3c2)c(cc1)C(=O)O	PC-id_63405173	366.23	CNVCFCIMNODHTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107874
Brc1cc(NC(=O)c2sc3CCCc3c2)cc(c1)C(=O)O	PC-id_81557301	366.23	VGMUQFYQDSTTRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107875
Brc1c(NC(=O)c2sc3CCCc3c2)c(ccc1)C(=O)O	PC-id_63112981	366.23	VDYIAQUASPYBBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107876
Brc1c(NC(=O)c2sc3CCCc3c2)ccc(c1)C(=O)O	PC-id_64317783	366.23	AAPVOOLSVMKJAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107877
c1(NC(=O)c2cccc(Br)c2)sc2c(CCC2)c1C(=O)O	PC-id_28860206,EMOLS-id_179129438,MCULE-2419218431	366.23	QUUCAYJKNDPDHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107878
c1(NC(=O)c2ccccc2Br)sc2c(CCC2)c1C(=O)O	PC-id_1906486,EMOLS-id_4408096,STOCK1S-77674,MCULE-6009721240,ZINC22_2283178	366.23	ATMZYNBMUCZMCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107879
O=C(c1sc2c(c1)CCC2)Nc1cc(ccc1Br)C(=O)O	PC-id_107812253	366.23	QLNXIZBFFDWYAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107880
Brc1cccc(n1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_108091610	366.233	DWUYMNRTROIIPT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107881
Brc1ccc(nc1)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_62954737	366.233	DXDDTXOYNUQZEE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107882
Brc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)cnc1	PC-id_27684445	366.233	OIBFLCUDBCMPJT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107883
Brc1nccc(c1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_108089977	366.233	MRMQWLNEHAFBCV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107884
Brc1ncc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_66464514	366.233	BVWAMNOTGWDSIM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107885
c1(NC(=O)c2cncc(Br)c2)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348437,MCULE-1751738347,PC-id_60628989	366.233	CJHCCWMMRQPSKG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107886
O=C(c1cccnc1Br)Nc1sc2c(c1C(=O)N)CCC2	PC-id_108081146	366.233	FNXBJWAZBSXBOG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107887
O=C(c1ncccc1Br)Nc1sc2c(c1C(=O)N)CCC2	PC-id_107518128	366.233	CRIAIPKYGVAHSS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-107888
CCCCn1c(cc2c1C(C)C(=O)O2)C(=O)c1ccc(cc1Cl)Cl	PC-id_54498822,SCHEMBL7674525	366.238	YAZVNYGUFIXAPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107889
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)CC	EMOLS-id_330980597,MCULE-5958289755	366.24	GYUFZHCLMNFYAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107890
CC1CCc2c1c(I)nn2Cc1cc(C)ccc1C	EMOLS-id_330980093,MCULE-3118179026	366.24	LCOKTRAXYJRQJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107891
CC1CCc2c1c(I)nn2Cc1cc(C)cc(C)c1	MCULE-1358344169,EMOLS-id_330979838	366.24	RMMASKPARXWNOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107895
CC1CCc2c1c(I)nn2Cc1ccc(C)c(C)c1	MCULE-6125817662,EMOLS-id_330980341	366.24	MQDPJCMJANNHGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107896
CC1CCc2nn(Cc3cc(C)ccc3C)c(I)c12	EMOLS-id_330964153,MCULE-4341107458	366.24	VMUQICSTWQOUBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107897
CC1CCc2nn(Cc3c(C)cccc3C)c(I)c12	EMOLS-id_330964409,MCULE-1000596865	366.24	XBTUHUCZMYLQBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107898
CC1CCc2nn(Cc3cccc(C)c3C)c(I)c12	MCULE-8393570900,EMOLS-id_330964665	366.24	ARZLQVMKIVAZGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107899
CC1CCc2nn(Cc3ccc(C)cc3C)c(I)c12	MCULE-9933535824,EMOLS-id_330961842	366.24	MQLNSEHFGKNMFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107900
CC1CCc2nn(Cc3cc(C)cc(C)c3)c(I)c12	EMOLS-id_330963898,MCULE-6039579761	366.24	WRWBODOYUTZEFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107901
CC1CCc2nn(Cc3ccc(C)c(C)c3)c(I)c12	MCULE-5968598527,EMOLS-id_330964401	366.24	ONAQBBIVZGXDGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107902
CC(c1ccccc1C)n1nc2CCC(C)c2c1I	EMOLS-id_330962367,MCULE-8709336528	366.24	TVOZYFABSXAFCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107903
CCc1ccccc1Cn1nc2CCC(C)c2c1I	EMOLS-id_330964921,MCULE-8816470283	366.24	QZLRTNOFYYJLAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107904
CCc1ccccc1Cn1nc(I)c2C(C)CCc12	MCULE-4190768680,EMOLS-id_330980861	366.24	SHIIAJXLDQWDQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107905
CC(c1ccc(C)cc1)n1nc2CCC(C)c2c1I	EMOLS-id_330961851,MCULE-4813430652	366.24	URQQLIHIEOVUEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107906
CC(c1cccc(C)c1)n1nc2CCC(C)c2c1I	EMOLS-id_330964669,MCULE-1612560164	366.24	CRGAYRDUGCUTSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107907
CCc1cccc(Cn2nc3CCC(C)c3c2I)c1	EMOLS-id_330964154,MCULE-7481058289	366.24	HXJXFHGAEZAYPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107908
CCc1cccc(Cn2nc(I)c3C(C)CCc23)c1	EMOLS-id_330980094,MCULE-7837069819	366.24	FJVSAPRWIXIQTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107909
CCc1ccc(Cn2nc3CCC(C)c3c2I)cc1	EMOLS-id_330964657,MCULE-3383569262	366.24	LQROFCGZTYMYTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107910
Clc1ccc(c(c1)Cl)C1(CCC1)CNC(=O)c1nn2c(c1)OCC2	EMOLS-id_318024318	366.242	QZYYFGYFAKKGFK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-107911
ClC1(Cl)c2n(N=C1C)c(nn2)CCCc1ccc(NC(=O)C)cc1	PC-id_13776305	366.245	HJNSAXCUURSEGN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-107912
Clc1cnc(c(c1)Cl)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110458364	366.245	DZJIAIZOMXMILH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-107913
C=CCCC(=O)C1CCCN1C(=O)c1c(Br)nc2n1CCC2	EMOLS-id_316602956	366.253	AXEIUNMKNMTDFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107914
Clc1cc(NCC(=O)Nc2sc3CCCc3c2C#N)cc(Cl)c1	EMOLS-id_317377069,PC-id_5034719,MCULE-8953747102	366.265	DGQOGOVMFYMTNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107915
Brc1cc(C(=O)NCc2sc3CCCc3c2)ccc1OC	PC-id_61209150	366.273	CUVOCHQRFKRVEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107916
Brc1cc(OC)c(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_78987921	366.273	MVKDWJKYKWPXQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107917
Brc1c(C(=O)NCc2sc3CCCc3c2)cc(OC)cc1	PC-id_61209149	366.273	PLDDALJSHPCWKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107918
CCOC(=O)C1CCc2c1nc(s2)Cc1cccc(c1)Br	PC-id_104287150	366.273	UBIBQDQYHWQPOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107919
CCOC(=O)C1CCc2c1nc(s2)Cc1ccc(cc1)Br	PC-id_104287173	366.273	OYXYJVLIOWEWOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107920
CCOC(=O)C1CCc2c1nc(s2)Cc1ccccc1Br	PC-id_104287205	366.273	RUPLYJJHJQOGCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107921
OC(=O)c1ccc(c(c1)Br)CNCc1sc2c(c1)CCC2	PC-id_103242939	366.273	YNQRZXQIRGXUMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107922
C=CCn1ncc(c(c1=O)Br)NCc1sc2c(c1)CCC2	PC-id_114434867	366.276	STKAZNLJGCBXEZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107923
Cc1c(n2CCCc2c1C(=O)C(=O)O)C(=O)Nc1cc(c(c(c1)F)F)F	SCHEMBL19900940,PC-id_134285226	366.291	HADPBYRQPPBPOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107924
Cc1c(n2CC(Cc2c1C(=O)C(=O)O)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20238924,PC-id_134586594	366.291	XDSWCSCBLKUBAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107925
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)O)F)C(=O)Nc1cc(c(cc1)F)F	PC-id_134303009,SCHEMBL19920729	366.291	XDSWCSCBLKUBAS-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107926
FC(F)(F)C(=O)c1n2c(CC(NC(=O)OCc3ccccc3)C2=O)cc1	PC-id_9976135	366.291	RWUHJHNWHLQWRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107927
CC1=Nn2c(nc(n2)C)C1=NNc1c(cnn1c1nc(=O)[nH]c(=O)[nH]1)C#N	PC-id_88983235	366.298	OFPVWKNTGUHMMU-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-107928
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1nc(=O)[nH]c(=O)[nH]1)C#N)C	PC-id_88873662	366.298	KSTDQCGHCLCESU-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-107929
O=c1[nH]c(n2ncc([N+]#[C-])c2N/N=C/2c3n(N=C2C)c(nn3)C)nc(=O)[nH]1	PC-id_58090594	366.298	ABVSSYGRWPBLLI-ZBKNUEDVSA-N	00000011100000100001100010000000000000000000000000000000	25-01-107930
O=c1[nH]c(n2ncc([N+]#[C-])c2N/N=C/2c3n(N=C2C)nc(n3)C)nc(=O)[nH]1	PC-id_58113671	366.298	GAJPYOKQVTWNKF-ZBKNUEDVSA-N	00000011100000100001100010000000000000000000000000000000	25-01-107931
Brc1cc(C(NCc2sc3c(CCC3)c2)C)ccc1OC	PC-id_61207030	366.316	LQVOIQPGXLAAEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107932
Brc1cc(C(NCc2sc3c(CCC3)c2)CC)c(O)cc1	PC-id_61209505	366.316	PWVVXWKYRPXLDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107933
Brc1cc(C(NC)c2sc3c(CCC3)c2)c(OC)cc1C	PC-id_65438571	366.316	UQBOWEKNQPPQCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107934
Brc1cc(C(NC)c2sc3c(CCC3)c2)c(OCC)cc1	PC-id_43487290	366.316	SMBUPXGYXPPKBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107935
Brc1cc(C(NCC)c2sc3c(CCC3)c2)ccc1OC	PC-id_43487720	366.316	XBRMYAFSTDLSAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107936
Brc1cc(C(NCC)c2sc3c(CCC3)c2)c(OC)cc1	PC-id_43487821	366.316	IICBXQPDPFTZIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107937
Brc1c(C(NC)c2sc3c(CCC3)c2)ccc(OCC)c1	PC-id_80277867	366.316	DCIFWGWAYTXKHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107938
Brc1c(C(NCC)c2sc3c(CCC3)c2)ccc(OC)c1	PC-id_60786129	366.316	WNWXWXZIMOHHTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107939
C=C/C=C(/N1CCn2c1c(C(=O)N)c(n2)C(F)(F)F)OS(=O)(=O)C	SCHEMBL18758766	366.316	UHYBNRXZIWNPMM-DAXSKMNVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107940
CCCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)N	PC-id_104657845	366.316	RBAULOCBWFIAJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107941
CCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)NC	PC-id_104657515	366.316	DSEWULAVVCCUMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107942
CNC(c1sc2c(c1)CCC2)Cc1cc(Br)ccc1OC	PC-id_115816773	366.316	RYHMDSOVIINBLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107943
CNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Br)OC	PC-id_115817714	366.316	LMKBQIPGMMXCEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107944
COc1ccc(c(c1)CC(c1sc2c(c1)CCC2)NC)Br	PC-id_115862125	366.316	GIFTYEYDPXSRDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107945
COc1c(C)cc(c(c1C(c1sc2c(c1)CCC2)N)C)Br	PC-id_104051779	366.316	NTYDCWFWQFDWOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107946
Brc1cccc(c1)NCCNC(c1sc2c(n1)CCC2)C	EMOLS-id_49925670,MCULE-2653061073,PC-id_86814853	366.319	XCJGTNIDYDSAEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107947
Brc1cc(NCc2sc3c(c2)CCC3)nc(n1)C(C)(C)C	PC-id_106194079	366.319	JQGXCFDKADJQEO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-107948
C[C@H](NCCNc1cccc(Br)c1)c1nc2c(s1)CCC2	ZINC22_170071696,PC-id_99777178	366.319	XCJGTNIDYDSAEX-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-107949
C[C@@H](NCCNc1cccc(Br)c1)c1nc2c(s1)CCC2	ZINC22_170071698,PC-id_99777179	366.319	XCJGTNIDYDSAEX-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107950
COc1cc(ccc1OC(F)F)C(=O)NCC(=O)N1CCn2c1ncc2	MCULE-3080875162,EMOLS-id_258164425	366.319	SCUXAPYZWGXMRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107951
COC(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)C(F)F)F	PC-id_139434829,SCHEMBL21296655	366.334	XMUKIOHUFHRDEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107952
BrCCCCCCN1Cc2c(S1(=O)=O)c(sc2C)C	SCHEMBL18325081	366.337	NKPPCTKDDZSRJW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107953
O(C(=O)c1c(n(nc1)c1ncccn1)N/N=C/1c2n(N=C1C)c(nn2)C)C	PC-id_58090603	366.337	ICQFDZMCICUNPB-JAIQZWGSSA-N	00000011100000100001100010000000000000000000000000000000	25-01-107954
O(C(=O)c1c(n(nc1)c1ncccn1)NN=C1c2n(N=C1C)c(nn2)C)C	PC-id_70642061	366.337	ICQFDZMCICUNPB-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-107955
O(C(=O)c1c(n(nc1)c1ncccn1)N/N=C/1c2n(N=C1C)nc(n2)C)C	PC-id_58113700	366.337	HQEFEZDYOSGMOU-JAIQZWGSSA-N	00000011100000100001100010000000000000000000000000000000	25-01-107956
O(C(=O)c1c(n(nc1)c1ncccn1)NN=C1c2n(N=C1C)nc(n2)C)C	PC-id_70796570	366.337	HQEFEZDYOSGMOU-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-107957
C[C@@](NC(=O)c1cnn2c1CCC2)(C(=O)N)c1cccc(C(F)(F)F)c1	ZINC22_263333657	366.338	MWTSOIAKAIGCER-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107958
C[C@](NC(=O)c1cnn2c1CCC2)(C(=O)N)c1cccc(C(F)(F)F)c1	ZINC22_263333659	366.338	MWTSOIAKAIGCER-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107959
O=C(c1cc2n(n1)CCC2)NC(c1cccc(c1)C(F)(F)F)(C(=O)N)C	EMOLS-id_318334001	366.338	JFEYRJYMIXGISW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107960
O=C(c1cnn2c1CCC2)NC(c1cccc(c1)C(F)(F)F)(C(=O)N)C	EMOLS-id_72442416,PC-id_121865168,MCULE-6267129739	366.338	MWTSOIAKAIGCER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107961
O=CCCc1cccc(c1)CN1CCn2c1c(C(=O)N)c(n2)C(F)(F)F	PC-id_145296858	366.338	BWNVVKHCKQHZQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107962
c1(CN2CCN(C(=O)C2)c2ccnc(c2)C(F)(F)F)nnc2CCCn12	EMOLS-id_320314534,ZINC22_1776008289,PC-id_139028610,MCULE-5043933598	366.341	BVAFLYUHYZTAMY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-107963
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)NCc1cccnc1	PC-id_97407315	366.346	FOARYJITTJWNCC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-107964
Fc1cccc(c1)C(=O)N1Cc2nc(oc2C1)C(=O)NCc1ccncc1	PC-id_97525803,ZINC22_96266041,EMOLS-id_44379914	366.346	QIKZXMKNSQAHAC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-107965
Fc1cccc(CNC(=O)c2nc3CN(Cc3o2)C(=O)c2cccnc2)c1	PC-id_97442832,EMOLS-id_44304400,ZINC22_96147308	366.346	RQLGPUUIOHBMMF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-107966
c1(NC(=O)COc2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-3815079655,CoCoCo_1961339,ChEMBL-DNDi_CHEMBL8012-3697,EMOLS-id_6777663,PC-id_4637032,ZINC22_4577018	366.358	WOCRSDVGVROMNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107967
O=C1N(CCCC1NS(=O)(=O)c1cnc2n1CCC2)CC(F)(F)F	EMOLS-id_100228891	366.359	LHIOAFYSZVKBHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-107968
O=C(C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2)NCC(F)(F)F	EMOLS-id_100614767	366.359	DTPQRXLYYSTGDI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-107969
Fc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1F	PC-id_46861306,MCULE-4434378020,EMOLS-id_31548310	366.361	OWOUQYUWGMAQPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107970
Fc1cc(F)cc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	MCULE-3074750495,PC-id_46861307,EMOLS-id_31548312	366.361	OBIOIPISLCUCEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107971
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(F)c(F)c1	ZINC22_51364511,PC-id_52340462	366.361	OWOUQYUWGMAQPL-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107972
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(F)c(F)c1	ZINC22_51364512,PC-id_52340463	366.361	OWOUQYUWGMAQPL-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107973
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cc(F)cc(F)c1	ZINC22_51364513,PC-id_52340464	366.361	OBIOIPISLCUCEJ-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107974
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cc(F)cc(F)c1	ZINC22_51364514,PC-id_52340465	366.361	OBIOIPISLCUCEJ-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-107975
c1(C(=O)Nc2ccc(c(c2)NC(=O)c2ccco2)OC)c2CCCc2[nH]n1	ZINC22_67754644,EMOLS-id_31609628,MCULE-1912757286,PC-id_46988054	366.371	AJEFAGSZBIQBEM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107976
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)c1ccc(cc1)N	SCHEMBL12920574,PC-id_88979179	366.371	NARJCJWYAKNAQR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107977
CN1CC[C@@](C1=O)(O)C#Cc1cccc(c1)NC(=O)c1n[nH]c2c1COC2	PC-id_122508523,SCHEMBL18039411	366.371	OJFDGTJPTBYOMZ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-107978
[nH]1nc(c2c1CN(C2)C(=O)[C@H](c1ccccc1)OC)NC(=O)c1ccco1	CHEMBL1171394,PC-id_49798212	366.371	MQHVLNMYOPBPQD-INIZCTEOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-107979
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)c1cc(no1)C	MCULE-6101005296,EMOLS-id_207863146	366.374	HFYWHWYWILRKNV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107980
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)c1conc1C	MCULE-7653830528,EMOLS-id_207863143	366.374	AVEXRVJYJAHIRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107981
Cc1ncoc1C(=O)N1Cc2c(C1)n(C)nc2C(=O)NCc1cccnc1	EMOLS-id_207863134,MCULE-2151589151	366.374	MKBKCUCBGYGFJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-107982
O=C(CNC(=O)c1cc(c2ccccc2)on1)NCc1nnc2n1CCC2	PC-id_51130911,EMOLS-id_32156275,ZINC22_58247201,MCULE-7233292655	366.374	JFYWGZDMKVTANW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-107983
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cn3cnnn3)C2)n1	EMOLS-id_316332854,MCULE-6969164101	366.377	WJZNTJWMXSQKFO-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107984
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)Cn3cnnn3)C2)n1	MCULE-3254520458	366.377	WJZNTJWMXSQKFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107985
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(c1)C(F)(F)F)C	MCULE-6790621920,EMOLS-id_330975418	366.377	JWAJNWCUNPWCQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107986
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1c(C)ccc(c1)C(F)(F)F	EMOLS-id_330975674,MCULE-7477034839	366.377	UXXHNTHWZHDFSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107987
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(c2C)C(F)(F)F)n1	MCULE-8455189349,EMOLS-id_331001073	366.377	DBYDSHWPWNOETP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107988
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(c2)C(F)(F)F)C)n1	EMOLS-id_331000561,MCULE-3117946285	366.377	TUXDEQXOIIULMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107989
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(C)ccc(c2)C(F)(F)F)n1	EMOLS-id_331000305,MCULE-6050079314	366.377	HCRPONUZJXCMHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107990
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)cc(c2)C(F)(F)F)n1	EMOLS-id_331000817,MCULE-6166825574	366.377	KYCFTUDIHUZJAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107991
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(c1C)C(F)(F)F	MCULE-9046602807,EMOLS-id_330977725	366.377	LDBVJVKCUWWZQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107992
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(c1)C(F)(F)F)C	EMOLS-id_330981308,MCULE-1512627224	366.377	YLJIJRZHZDVUCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107993
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_330977469,MCULE-1434897051	366.377	LUESJJFUSAIQHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107994
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1c(C)ccc(c1)C(F)(F)F	EMOLS-id_330981052,MCULE-9965289547	366.377	MMYLTDREUBIGPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107995
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(c1)C(F)(F)F	EMOLS-id_330983344,MCULE-8549777088	366.377	CANCKHSZAZXDNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107996
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccccc1C(F)(F)F	EMOLS-id_330985137,MCULE-9529500498	366.377	LUWMZVWTONKBGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107997
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1)C(F)(F)F	MCULE-2639307646,EMOLS-id_330977470	366.377	JZERJARLHAHTCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107998
NC(=O)Cn1cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)nn1	MCULE-9913556714,EMOLS-id_189660653,ZINC22_190059597	366.377	CDRWXBHFFWRBCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-107999
Cc1nn2c(n1)C(=NNc1c(cnn1C1=NCCO1)C#N)C(=N2)C(C)(C)C	PC-id_89279466	366.381	BXZMQTVRFZYIQI-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-108000
O1C(=NCC1)n1ncc([N+]#[C-])c1N/N=C
/C(=Nn2nc(nc12)C)C(C)(C)C	PC-id_59702881	366.381	XHLYDFXOHITZCX-NHDPSOOVSA-N	00000011100000000001100010000000000000000000000000000000	25-01-108001
O1C(=NCC1)n1ncc([N+]#[C-])c1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C	PC-id_72362416	366.381	XHLYDFXOHITZCX-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-108002
c1(NC(=O)COc2c(F)ccc(F)c2)sc2c(CCC2)c1C(=O)NC	MCULE-3361014034,EMOLS-id_334333137	366.382	CDORTSJJAAQGER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108003
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OC(F)F)cc1	PC-id_85015589	366.382	KUVNJKJFXJWZPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108004
s1c2CCCc2cc1C(=O)NN=Cc1c(OC(F)F)c(OC)ccc1	PC-id_85015427	366.382	MVXADWJHWVDRSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108005
s1c2c(CCC2)c(c1NC(=O)CNc1cc(F)cc(F)c1)C(=O)OC	PC-id_24562328	366.382	GDKVUHMXXOQSIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108006
CCNC(=NCc1ccc(cc1)C(F)(F)F)NCc1nnc2n1CCC2	PC-id_111020123	366.384	VHGZORQWRNHKCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108007
CCNC(=NCc1cccc(c1)C(F)(F)F)NCc1nnc2n1CCC2	PC-id_111020339	366.384	MTSLJGDBHAPAID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108008
CN=C(N(Cc1ccc(cc1)C(F)(F)F)C)NCc1nnc2n1CCC2	PC-id_111299947	366.384	HXRWORBFJXJIKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108009
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1)C(F)(F)F	PC-id_111020185	366.384	IVEDCYGEKLXQDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108010
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cccnc1OCC	MCULE-7659856706,ZINC22_67804383,PC-id_56746911,EMOLS-id_36585166	366.389	IWQUKMORCGHCAW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-108011
C[C@H](NC(=O)/C=C/c1ccc(c2ccccc2F)o1)c1nnc2n1CCC2	ZINC22_89913793	366.389	QZGNCPZIBNSEQK-STRFDMGBSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108012
C[C@@H](NC(=O)/C=C/c1ccc(c2ccccc2F)o1)c1nnc2n1CCC2	ZINC22_89913794	366.389	QZGNCPZIBNSEQK-YGNAEDSMSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108013
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	EMOLS-id_11986224,PC-id_17428150,CoCoCo_4525768,ZINC22_8753895,MCULE-6517830475	366.389	ZWDXFMFJHHBKPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108014
Fc1c(c2oc(C=CC(=O)NC(c3n4CCCc4nn3)C)cc2)cccc1	PC-id_71941866,EMOLS-id_300801839,MCULE-2479793516	366.389	QZGNCPZIBNSEQK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108015
Fc1c(c2oc(/C=C/C(=O)NC(c3n4CCCc4nn3)C)cc2)cccc1	PC-id_75403228	366.389	QZGNCPZIBNSEQK-PKNBQFBNSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108016
s1c2c(CCC2)c(c1NC(=O)C1=COCCO1)C(=O)NC(=O)OCC	PC-id_7521565	366.389	YEXULXFQRMRKEA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-108017
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CC(=O)OCC)C(=O)N	PC-id_3388512	366.389	RBZVVXZGOADZSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108018
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cnc(nc1)NCC	PC-id_72913291,MCULE-2582767343,ZINC22_91847337,EMOLS-id_46079923	366.392	WSOZYNBWXAFGAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108019
Cc1nc2CN(Cc2n1C)C(=O)Nc1nc(ccc1N)c1ccc(F)cc1	PC-id_135234249,SCHEMBL20392526,BindingDB-id_961276	366.392	LSTXSROJPPTXRW-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-108020
CCn1cc2CN(Cc2n1)C(=O)Nc1c(ccc(n1)c1ccc(cc1)F)N	PC-id_137495585,SCHEMBL20738556	366.392	GJTHGBIGRAFEJT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-108021
COc1ccc(cc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)OC	PC-id_68440516,SCHEMBL2918079	366.392	LGKVXVBYUOFDIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108022
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)OC	SCHEMBL2913083,PC-id_68438570	366.392	WPVSGLNIZSGWNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108023
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2916867,PC-id_68440092	366.392	ITMLBXIILGRXRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108024
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68439402,SCHEMBL2914908	366.392	NJGIFSGLCWVRKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108025
O1C(CN2C[C@@H](N(CC2)C(=O)[O-])C(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635124,SCHEMBL6010604	366.392	JVRJGWRRWQOQTG-ZVDHGWRTSA-M	00000010100010000001000010000000000000000000000000000000	25-01-108026
O1C(CN2C[C@H](N(CC2)C(=O)[O-])C(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635198,SCHEMBL6010669	366.392	JVRJGWRRWQOQTG-CHPOKUKFSA-M	00000010100010000001000010000000000000000000000000000000	25-01-108027
O1C(CN2CC(N(CC2)C(=O)[O-])C(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635116,SCHEMBL6010597	366.392	JVRJGWRRWQOQTG-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-108028
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1Cn2n(C1)cnc2=O	PC-id_60204990	366.392	FNEMEIALQQODTJ-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-108029
COc1ccc(cc1)c1n[nH]cc1C=C1C(=O)Nc2c1cc(s2)C(=O)N	PC-id_67551301,SCHEMBL6628126	366.394	NBUDPAHDTKZGLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108030
COc1ccc(cc1)c1n[nH]cc1/C=C/1C(=O)Nc2c1cc(s2)C(=O)N	SCHEMBL6628109	366.394	NBUDPAHDTKZGLI-SDQBBNPISA-N	00000010100000110001100010000000000000000000000000000000	25-01-108031
COc1ccc(cc1)c1n[nH]cc1/C=C
/C(=O)Nc2c1cc(s2)C(=O)N	SCHEMBL6628123,PC-id_67551307	366.394	NBUDPAHDTKZGLI-WUXMJOGZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108032
O=C(c1nnn(c1)C1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112048286	366.396	XTCIKIAUMXZFTI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108033
S(=O)(=O)(NC)c1cc([N+](=O)[O-])c(NCCc2n3CCCc3nn2)cc1	PC-id_78835664	366.396	FAVXRFITMNDSCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108034
FC(CN1CCN(C(C1)(C)C)S(=O)(=O)c1cnc2n1CCC2)(F)F	EMOLS-id_100207048	366.402	CADHBGSSUXTZJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108035
O=C(c1sc2c(c1)N(CC2)C(=O)c1ccccc1)Nc1ccccc1F	PC-id_97524480	366.409	TUPSVYDTDLRNFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108036
Cc1c(ccc(c1)S(=O)(=O)NCC(=O)NCc1n[nH]c2c1CCC2)F	PC-id_135113615	366.41	LJRPERITOFKSEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108037
CN(CC(=O)Nc1c2c(nn1C)CCC2)S(=O)(=O)c1ccc(F)cc1	SCHEMBL15427086,EMOLS-id_32092632,PC-id_47074159,MCULE-3800479231,ZINC22_48310130	366.41	PPTCESYBQFYGPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108038
COC(=O)[C@H](C(C)C)NC(=O)c1ccc2n1C(=O)C(=C2)Cc1ccccc1	PC-id_101173898	366.41	BTILVJVBHGPBJY-SFHVURJKSA-N	00000011100000110000000010000000000000000000000000000000	25-01-108039
O=C(O)c1coc2c1CN(C(=O)[C@]13CC[C@H]1CN(Cc1ccccc1)C3)C2	ZINC22_1875394207	366.41	YRPIXGKVYHLQAM-BTYIYWSLSA-N	00001010100000110000001010000000000000000000000000000000	25-01-108040
c1(NC(=O)c2ccc(N(=O)=O)s2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_30101030,MCULE-1272753934,ZINC22_4070299,PC-id_3301923,CoCoCo_4968701,ChEMBL-DNDi_CHEMBLF0180-0177	366.412	YIIHVDFDVZFOPG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-108041
Cc1c(c(=O)n([nH]1)c1ccc(cc1)F)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135467553	366.412	MXSOVJWNBCGJFS-LSHDLFTRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108042
CC1=NN(c2ccc(F)cc2)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	PC-id_5439950,CoCoCo_121824,TIMTEC98791,ZINC22_100926150	366.412	CHULKVQRZLXDAC-YBEGLDIGSA-N	00000011100000110001100010000000000000000000000000000000	25-01-108043
CCOC(=O)n1nc2c(c1NC(=O)C)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015700,SCHEMBL1204692	366.412	CKHXMBYFKHPMAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108044
N1(c2ccc(cc2)F)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	MCULE-5107218405,PC-id_6751247	366.412	CHULKVQRZLXDAC-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-108045
N#Cc1c(N/C=C/2C(=NN(C2=O)c2ccc(cc2)F)C)sc2c1CCC2	PC-id_6966113,CoCoCo_121825	366.412	CHULKVQRZLXDAC-MHWRWJLKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-108046
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCN1CCOCC1)C(=O)[O-]	PC-id_29057648	366.412	BRCUSXLARFNSGK-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-108047
s1c2c(CCC2)c(c1NC(=O)N1CCN(CC1)C(=O)OCC)C(=O)[O-]	PC-id_8072535	366.412	ISABKFMPZCTOGG-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-108048
c1(cccn(C)c1=O)C(=O)N(Cc1ccco1)Cc1c2CCCc2n(C)n1	PC-id_86266508,EMOLS-id_50145192,MCULE-2766338322	366.414	MJZMZVXHFYSLMB-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-108049
c1(C(=O)NCc2c3CCCc3[nH]n2)cc(on1)COc1cc(C)ccc1C	CoCoCo_1278375,PC-id_42596384,EMOLS-id_20504887,MCULE-9372513280,CoCoCo_1278374,ZINC22_12433514	366.414	BIUXGEYIAHZRFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108050
Cc1noc(C)c1COc1ccc(C(=O)Nc2c3c(nn2C)CCC3)cc1	ZINC22_71826696,MCULE-5845314025,PC-id_47794652,EMOLS-id_37010537	366.414	TWFHOAADSBRXKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108051
CCOC(=O)N1CC2(C1)c1ccccc1N(C2=O)Cc1nc2c([nH]1)CCC2	PC-id_118155343,SCHEMBL16812483	366.414	BPCGBVXMFKRYJY-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-108052
COc1ccc(cn1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109545	366.414	SOADTKKJGFFFKH-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-108053
COc1ncccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109308	366.414	KJCPTVRALFAUBU-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-108054
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1noc(c1)C1CC1	PC-id_92109470	366.414	WPBXDGGNGWMYGM-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-108055
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)COc1cccnc1	PC-id_92109280	366.414	SMRYVBVYWREPNH-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-108056
CC(C)(C)OC(=O)NC(=Nc1c2NCCn2nc1)NC(=O)OC(C)(C)C	SCHEMBL5493411,PC-id_135800735	366.415	FYQMRIJKSCNZPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108057
Cc1cccc(c2noc(CNC(=O)N(C)Cc3n[nH]c4c3CCC4)n2)c1	MCULE-9352948093,ZINC22_584901213,EMOLS-id_177489547	366.417	LMHBIXGTBJYNOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108058
Cc1cc(C)n(c2ccccc2NC(=O)N2Cc3cnn(CCO)c3C2)n1	ZINC22_95525510,PC-id_72921368,EMOLS-id_48644932,MCULE-4848692191	366.417	YRHIHUAMNGTVHM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108059
CCc1noc(c2ccc(NC(=O)N(C)Cc3n[nH]c4c3CCC4)cc2)n1	EMOLS-id_49159582,PC-id_72886989,MCULE-1229057904,ZINC22_96149436	366.417	ZTGYOOFWPFQHGR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108060
CN(Cc1ccccc1)Cc1cc(C(=O)NCc2nnc3n2CCC3)no1	ZINC22_15079136,MCULE-9462993990,EMOLS-id_232814203,PC-id_26411623	366.417	XTOBRPUECJJAFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108061
CN(Cc1n[nH]c2c1CCC2)C(=O)CCCc1nc(no1)c1ccncc1	PC-id_135112127	366.417	JTHPATRLQHCHNC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108062
COc1ccccc1NC(=O)c1c(NCc2cnc3n2CCC3)[nH]nc1C	EMOLS-id_279157716	366.417	OZKBXPQNCMJDCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108063
COc1cc(ccc1OC)Nc1nccc(n1)Nc1n(C)nc2c1CCC2	PC-id_53477002,SCHEMBL14650572	366.417	ZSVJCFGOEWGIJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108064
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1cnn(c1)C1COCC1	EMOLS-id_99664901	366.419	YYNKBXTUHBVPJK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-108065
c1(c2ccc(c(c2)NC(=O)N(C)Cc2c3CCCc3[nH]n2)C)nnn(C)n1	PC-id_72840899,EMOLS-id_49142856,ZINC22_96131211,MCULE-5522582976	366.42	HMENZFFBOJBDPK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108066
C[C@H](N)c1nc(c2ccccc2)nn1CC(=O)NCc1nnc2n1CCC2	ZINC22_1857687041,MCULE-2767534996,PC-id_145932990,EMOLS-id_323992140	366.42	IVIBPANOOWTRPO-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108067
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)NC1CCCC1	CoCoCo_6831945,PC-id_17377038,MCULE-2505165772,EMOLS-id_4043957,ZINC22_17075239,TIMTEC181604	366.432	GWJUPVAUFRSVRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108068
COC(=O)c1c(NC(=O)N2CC(C)CC(C2)C(=O)O)sc2c1CCC2	PC-id_122102651	366.432	CIFUQZFYQRGNEA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108069
COC(=O)c1c(NC(=O)NC2CCC(CC2)C(=O)O)sc2c1CCC2	PC-id_122087698	366.432	TZDXYDJEDHFPEH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108070
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)C	CoCoCo_81792,ChEMBL-DNDi_CHEMBL3759-1361,ZINC22_1188846,EMOLS-id_1231051,BAS-00486927,MCULE-2197697820,PC-id_1350876	366.434	DSJFBHVIBOZJCT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-108071
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1C	ZINC22_1104454,MCULE-9750987555,CoCoCo_81797,BAS-00486936,PC-id_1284328,EMOLS-id_1231061	366.434	NHFDXVVSUBBWCA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-108072
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1cccc(C)c1	EMOLS-id_8299990,ZINC22_1104439,PC-id_1284313,MCULE-3956391140	366.434	QPYDWDNWCVQCOA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-108073
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3290913801,EMOLS-id_334340769	366.434	GFKHWWWCDLDQCS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-108074
c1(NC(=O)C(=Cc2ccccc2)C#N)sc2c(CCC2)c1C(=O)OCC	PC-id_1561511,MCULE-9684203323	366.434	ZUIMQMMBCHEZFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108075
Cc1ccc(CNC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)o1	PC-id_97524484,ZINC22_96264545,EMOLS-id_44378934	366.434	FEFRUAHOUAEJKM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-108076
CC(=O)c1ccccc1c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	PC-id_56658289,CHEMBL1821919	366.434	QKROTMFUMVUCTD-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108077
CC(=O)c1cccc(c2cc(C(=O)Nc3nc4c(s3)CCC4)c(C)o2)c1	CHEMBL1821920,PC-id_56675548	366.434	XZXDYAAVCOSTQJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108078
CCOC(=O)c1c(NC(=O)/C(=Cc2ccccc2)/C#N)sc2c1CCC2	STOCK2S-60974,EMOLS-id_26280135,CoCoCo_1750705	366.434	ZUIMQMMBCHEZFH-KAMYIIQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108079
CCOC(=O)c1c(NC(=O)/C(=C/c2ccccc2)/C#N)sc2CCCc12	ChemDIV3643-3292,CHEMBL1874017,CoCoCo_1750704,PC-id_2072953,EMOLS-id_27011907	366.434	ZUIMQMMBCHEZFH-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108080
COc1ccc(Oc2ncccc2NC(=O)c2cc3c(s2)CCC3)cc1	PC-id_71941060,EMOLS-id_45637626,MCULE-5612270903,ZINC22_89453836	366.434	RUKYICVJBPODSQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-108081
O=C(Nc1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1)c1ccco1	MCULE-9922057406,EMOLS-id_18830561,CoCoCo_4580048,PC-id_41841194,ZINC22_11146493	366.434	HYOBIAVKARHRQV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-108082
s1c2CCCc2cc1C(=O)Nc1c(C(=O)NCc2occc2)cccc1	PC-id_37034548	366.434	GZFHJTFZMDRBDB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-108083
s1c2CCCc2c(c1NC(=O)COC(=O)C1(CC1)c1ccccc1)C#N	PC-id_8586957	366.434	YFOMHOGJOSVWPP-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-108084
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(cc1)C)C#N	PC-id_1667649	366.434	TYKJNDIUTDEKEU-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108085
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(cc1)C)C#N	PC-id_4534053	366.434	TYKJNDIUTDEKEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108086
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1c(cccc1)C)C#N	PC-id_7849646	366.434	PWQNSVXHGPLVDF-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108087
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1c(cccc1)C)C#N	PC-id_78553374	366.434	PWQNSVXHGPLVDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108088
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1cc(ccc1)C)C#N	PC-id_78560724	366.434	YCQGQEROAPILCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108089
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(ccc1)C)C#N	PC-id_7882606	366.434	YCQGQEROAPILCL-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108090
c1(NC(=O)C(=O)N2CCN(CC2)CCO)sc2c(CCC2)c1C(=O)N	MCULE-5356479178,EMOLS-id_4740618,CoCoCo_1092818,PC-id_8057076,ZINC22_20573601,STOCK6S-10669	366.435	XPWCLIJAVSXIIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108091
c1(NC(=O)C(=O)NCCN2CCOCC2)sc2c(CCC2)c1C(=O)N	ZINC22_20589242,MCULE-5902686468,CoCoCo_6533823,PC-id_8070887,EMOLS-id_4746019,STOCK6S-14293	366.435	ZBGJOTFNPBCMAC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108092
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)C(=O)OCC	MCULE-7363519712,STOCK6S-06021,EMOLS-id_4733665,ZINC22_6661327,PC-id_8029716	366.435	BQVLKAMOAVYDBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108093
O=C(C1CCCN(C1)C(=O)C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057263	366.435	NEXNMMHZMMGAIQ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-108094
c1(C#N)c2CCCc2sc1NC(=O)c1ccc(Cn2c(C)cc(C)n2)o1	EMOLS-id_17072849,PC-id_44820961,MCULE-5997381645,TIMTEC560281,ZINC22_36611028	366.437	XWUURIXBDUSSQP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-108095
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cccs2)n1	MCULE-4090817156	366.437	COMUMKBMCYDRFN-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108096
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccsc2)n1	MCULE-7353834148	366.437	UIRFJYYGPWPJNH-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108097
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cccs2)n1	MCULE-1239914408,EMOLS-id_316332341	366.437	COMUMKBMCYDRFN-AWEZNQCLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108098
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccsc2)n1	MCULE-7382724540,EMOLS-id_316333367	366.437	UIRFJYYGPWPJNH-HNNXBMFYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108099
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cccs1	MCULE-2117398926	366.437	WEPUIKQQZMRQNX-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108100
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cccs1	MCULE-3360186836,EMOLS-id_316253174	366.437	WEPUIKQQZMRQNX-AWEZNQCLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108101
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccsc1	MCULE-9302375988,EMOLS-id_316320051	366.437	NVMKREPODUETKM-HNNXBMFYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108102
Cc1nn(c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc2c(s1)CCC2	ZINC22_25768884,CoCoCo_4521473,MCULE-1396364340,EMOLS-id_24963633,PC-id_33040580	366.437	QEVXEISHKXLIAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108103
N#Cc1c(NC(=O)C2CN(C(=O)C2)Cc2ccccn2)sc2c1CCC2	PC-id_75416038,MCULE-6622604040,EMOLS-id_48218346	366.437	MEINUCWGJDDIQA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108104
N#Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)sc2c1CCC2	PC-id_96408656,ZINC22_77551780	366.437	MEINUCWGJDDIQA-GFCCVEGCSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108105
N#Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)sc2c1CCC2	PC-id_96408657,ZINC22_77551783	366.437	MEINUCWGJDDIQA-LBPRGKRZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108106
NC(=O)c1c(NC(=O)Cn2cc(c3ccccc3)cn2)sc2c1CCC2	ZINC22_73968189,MCULE-4712666495,EMOLS-id_189692896	366.437	LLIUVEMSVDMHLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108107
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(n2nccc2C)cc1	PC-id_29211093	366.437	WWAYVGJSOHIJAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108108
O=C(Nc1n(C)nc2c1CCC2)CCNS(=O)(=O)c1cn(c(n1)C)C	EMOLS-id_98005853	366.439	VMKCPLDTAARCHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108109
c12SCCn1cc(CNc1ccnc(c1)C(=O)NCc1cccnc1)n2	ZINC22_72159437,PC-id_56876678,MCULE-5986671621,EMOLS-id_43201867	366.44	YXOSRXJTEHGPHT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-108110
s1nc(nc1N/N=C
/C(=Nn2nc(nc12)C)C(C)(C)C)c1ccccc1	PC-id_59913536	366.443	QCEWQJCOKKIJKA-NDENLUEZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-108111
s1nc(nc1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)c1ccccc1	PC-id_72594705	366.443	QCEWQJCOKKIJKA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-108112
NC1C[C@H](CCC1c1cc(F)c(cc1F)F)CN1Cc2c(C1)csc2	PC-id_143517569	366.444	UMKGMBMQURDECM-MPAIFJNDSA-N	00000010100010110000100010000000000000000000000000000000	25-01-108113
Fc1ccc(cc1)CNC(=O)c1sc2c(c1)CN(C2)Cc1ccccc1	CoCoCo_2683973,CoCoCo_2683972,PC-id_3703374	366.452	HGAZWOXIHLODKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108114
COC(=O)C1CCCCN1C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2058261214,EMOLS-id_328339604	366.453	XSPLKAQUJBARNI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-108115
COC(=O)C1CCCN(C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328340116,MCULE-7888444635	366.453	WGCNNIYYGUCXPR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-108116
COC(=O)C1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338589,MCULE-3772509855	366.453	LAPAFWKXBMAYIN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-108117
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCC1CCC(=O)O	MCULE-2056050566,EMOLS-id_328343442	366.453	UJJHENIUYZRJJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108118
CN(C)S(=O)(=O)CCCN1Cc2c(C1)n(nc2)Cc1ccc(cc1)F	MCULE-5023916838,PC-id_91842861,EMOLS-id_55702776	366.454	RQGMWIJRFPFKMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108119
COc1cccc(CNC(=O)c2cc3c(s2)CCN3S(=O)(=O)C)c1	EMOLS-id_44378996,ZINC22_96264574,PC-id_97524513	366.455	WAKLAZUNTHPCSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108120
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1ccc(OCC)cc1	PC-id_8473925	366.455	UMQVGIYLMNBXFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108121
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)OC)C(=O)N	PC-id_8742616	366.455	ASIDFSKDGGIWCW-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-108122
S(=O)(=O)(C(C)C)c1ccc(CC(=O)Nc2onc3c2CSC3)cc1	PC-id_49719001	366.455	MGGRQELIVKNPSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108123
c1(C(=O)Nc2ccc(cc2)CCC(=O)N2CCCC2)c2CCCc2n(C)n1	EMOLS-id_320480011,PC-id_84467387,MCULE-8150532196	366.457	AOPLVFGQMZXYDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108124
c1(C(=O)Nc2ccc(cc2)C(=O)CCN2CCCC2)c2CCCc2n(C)n1	EMOLS-id_320482571,PC-id_84467405,MCULE-9906907999	366.457	OVJLSMKIKFJAHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108125
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)C2CCCCC2)n1	MCULE-6108180190	366.457	RGNUZRVLGDORIS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108126
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)C2CCCCC2)n1	EMOLS-id_316330293,MCULE-2912580605	366.457	RGNUZRVLGDORIS-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108127
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)C1CCCCC1	MCULE-6018863096	366.457	GQFKNWGVBPQUHD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108128
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)C1CCCCC1	EMOLS-id_316256245,MCULE-9674417308	366.457	GQFKNWGVBPQUHD-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108129
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CC3CCCC3)Cc12	MCULE-8230910719,EMOLS-id_316318516	366.457	VTBRVZZAMMVQAG-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108130
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CC3CCCC3)Cc12	MCULE-8212033574	366.457	VTBRVZZAMMVQAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108131
CC1CCCCN1C(=O)c1ccc(c(c1)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98780012	366.457	PCKZYWDKWDKPRJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108132
CC1CC(C)CN(C1)C(=O)c1ccccc1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98193121	366.457	GCISXMUHQYDIJB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108133
CC(C)c1ccc(cc1)N1CC(CC1=O)C(=O)NCc1n[nH]c2CCCc12	PC-id_72845658,MCULE-3942448136,EMOLS-id_46030919	366.457	KSSXARLVKRTTII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108134
CC(C)c1ccc(N2C[C@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)cc1	PC-id_97110127,ZINC22_91270161	366.457	KSSXARLVKRTTII-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108135
CCOC(=O)C1CCc2c1nc(s2)Nc1ccccc1Br	PC-id_104287590	367.261	OUEWJIVYBXMDSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108423
CC(C)c1ccc(N2C[C@@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)cc1	PC-id_97110128,ZINC22_91270162	366.457	KSSXARLVKRTTII-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108136
CC[C@@H](Cn1nc2c(c1)CN(C2)C(=O)c1cc(C#N)ccc1OC(C)C)C	PC-id_118479338,SCHEMBL17214186	366.457	YRMCIPXWICLLBC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108137
Cn1nc2c(c1NC(=O)[C@H]1CCCN(C(=O)Cc3ccccc3)C1)CCC2	ZINC22_363605771	366.457	IGWKSNSRCAXVME-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108138
Cn1nc2c(c1NC(=O)[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)CCC2	ZINC22_363605772	366.457	IGWKSNSRCAXVME-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108139
N#Cc1ccc(c(c1)C(N1Cc2c(C1)cn(n2)CC1CCC1)O)OC(C)C	PC-id_144952403	366.457	OIRJIGVKBFYXGV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-108140
O=C(C1CCCN(C1)C(=O)Cc1ccccc1)Nc1n(C)nc2c1CCC2	MCULE-4663268530,EMOLS-id_316861302	366.457	IGWKSNSRCAXVME-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108141
O=C(NC1CC(n2c1ncc2)C)NC1c2ccccc2CC21CCOCC2	EMOLS-id_101490585	366.457	VLYSAWYSCGURKT-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-108142
c1(NC(=O)c2cccs2)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862256,MCULE-9373902574,CoCoCo_5277563,EMOLS-id_24913259,ZINC22_23138933	366.458	MMCOWPRDVKOWKN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-108143
c1(NC(=O)c2csnn2)sc2c(CCC2)c1C(=O)NCCCOC	TIMTEC386521,EMOLS-id_9870111,PC-id_16454912,SPECS-id_AS-871/43478368,ZINC22_11915323,MCULE-7282044592,CoCoCo_6309378	366.458	PQUZZQBJXGKWAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108144
c1(NC(=O)CNS(=O)(=O)c2ccc(cc2)C)n(C)nc2CSCc12	EMOLS-id_334566835,MCULE-3480912425	366.458	WDLJWEMZRDKJHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108145
c1(NC(=O)CSc2nnc(C)n2C)sc2c(CCC2)c1C(=O)OC	CoCoCo_6798555,EMOLS-id_4044118,TIMTEC99631,MCULE-7153822222,ZINC22_17075263,PC-id_5178844	366.458	CISWAEMFZMDLHL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108146
c1(NC(=O)CSc2nncn2C)sc2c(CCC2)c1C(=O)OCC	ZINC22_2784694,PC-id_2171393,EMOLS-id_2351786,TIMTEC40615,MCULE-1409415200,CoCoCo_636868	366.458	AIDBYOUGUHIEKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108147
NS(=O)(=O)c1cccc(NC(=O)NCCc2nc3CCCc3s2)c1	PC-id_118790445,EMOLS-id_68930997,MCULE-8504318593,ZINC22_299795666	366.458	LPFBPAPUYOVGIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108148
O=C(c1cscc1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199229	366.458	JYLPPIYJDBDVID-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-108149
O=C(c1scnc1C1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057269	366.458	KAWXPYMCMLCGPC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-108150
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)CC)C(=O)OC	PC-id_33395645	366.458	WZCGKILPLMRMOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108151
s1c2CCCc2nc1NC(=O)CSC(C(=O)Nc1noc(c1)C)C	PC-id_51233106	366.458	YYINTVPPJVECRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108152
s1c2CCCc2nc1NC(=O)CS[C@@H](C(=O)Nc1noc(c1)C)C	PC-id_33039455	366.458	YYINTVPPJVECRS-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108153
s1c2CCCc2nc1NC(=O)CS[C@H](C(=O)Nc1noc(c1)C)C	PC-id_33039458	366.458	YYINTVPPJVECRS-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-108154
c1(NC(=O)c2c(C)nc(c3cccnc3)s2)sc2c(CCC2)c1C#N	PC-id_19617022,EMOLS-id_8873626,ZINC22_20607092,MCULE-8934630892	366.46	CDWSRAILICCONT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108155
C=C(c1cnn2c1CCC2)/C=c
/nccn/c1=C(OC[C@H]1CCCNC1)/N	SCHEMBL12527280	366.46	QFFRBQCATNHLEE-AYKIXYLASA-N	00000010100010100001000010000000000000000000000000000000	25-01-108156
C=C(C=c1c(=C(N)OCC2CCCNC2)nccn1)c1c2CCCn2nc1	PC-id_88931613	366.46	QFFRBQCATNHLEE-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-108157
CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3n[nH]c4c3CCC4)C1)CC2	ZINC22_2356155088	366.46	WTMLQGFBVYGCLS-FQEVSTJZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-108158
CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c4c3CCC4)C1)CC2	ZINC22_2356155089	366.46	WTMLQGFBVYGCLS-HXUWFJFHSA-N	00000010100010100001000010000000000000000000000000000000	25-01-108159
CN=C(N1CCC(=CC1)c1cccc(c1)OC)NCc1nnc2n1CCC2	PC-id_120048723	366.46	YXLKSRCCCCKRAK-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-108160
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C(C)C)C(=O)N	PC-id_26428423	366.462	ZVLTWVGZBAEVHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108161
Cc1nn2c([nH]1)c(c(n2)C(C)(C)C)C=c1c2nc(nn2nc1C(C)(C)C)C	SCHEMBL12533658	366.463	SFMLXFGBGALFFZ-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-108162
CCCSP(=S)(ON=C1n2cnnc2SC1(C)C)OCC	SCHEMBL11059786,PC-id_54400837	366.463	VNHVPPGDLOTEOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108163
N1NC(NN=C2C(=Nn3c2nnc3C)C(C)(C)C)C(C1C)c1ccccc1	PC-id_72243393	366.463	IFKGLTHUACXNAJ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-108164
[nH]1n2nc(nc2c(c1C(C)(C)C)C=c1c(nn2nc(nc12)C)C(C)(C)C)C	PC-id_58965880	366.463	XAWDREGZYJFYLJ-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-108165
c1(NC(=O)CN2CC(C)OC(C)C2)sc2c(CCC2)c1C(=O)OCC	MCULE-5523988953,TIMTEC587901,PC-id_3499642,EMOLS-id_2546308	366.475	ZBMYPHFFPAHELR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108166
CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc2c1CCC2	CoCoCo_1047617,PC-id_2457630,ZINC22_20168329	366.475	ZBMYPHFFPAHELR-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108167
CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc2c1CCC2	PC-id_2457628,ZINC22_15980961,CoCoCo_1047616,CoCoCo_1047615	366.475	ZBMYPHFFPAHELR-TXEJJXNPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108168
CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc2c1CCC2	ZINC22_20168326,PC-id_2457633,CoCoCo_1047614	366.475	ZBMYPHFFPAHELR-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108169
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)CO)C(=O)OCC	PC-id_55850492	366.475	DNSJBERYCKICEG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108170
s1c2c(CCC2)c(c1NC(=O)CN1CCC(OC)CC1)C(=O)OCC	PC-id_55475857	366.475	NDWSOLAZHLKMCP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108171
C1(=C(CCC1=O)c1ccccc1)CC(=O)NCCc1sc2c(CCC2)n1	EMOLS-id_290050462,ZINC22_952988785,MCULE-1584656420	366.477	PURASJIJRCHTKI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-108172
c1(NC(=O)C2(CCCCC2)Oc2ccccc2)sc2c(CCC2)c1C#N	MCULE-9477647612,EMOLS-id_322838960	366.477	XUHYSJQWTUQXHB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-108173
CCCC1(C)C(NC(=O)C)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9653932,PC-id_21735836	366.477	RBSAIJFJSBPZPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108174
CCOC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)Br	PC-id_104287592	367.261	FTHIAGRGMYSIFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108424
CCCC1C(NC(=O)CC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9652977,PC-id_21735829	366.477	OHTPNRYCUCEUCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108175
COc1ccc(cc1)Cc1c(Cc2ccc(cc2)OC)nc2n1CCS2	SCHEMBL11369928,PC-id_57101986	366.477	LVUHRKYFLHPLAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108176
COc1cccc(c1)Cc1c(Cc2cccc(c2)OC)nc2n1CCS2	SCHEMBL11372994,PC-id_23464761	366.477	IXDWXOWYGCZURS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108177
COc1ccccc1Cc1c(nc2n1CCS2)Cc1ccccc1OC	SCHEMBL11370617,PC-id_23464752	366.477	PXRNNWLIYCZZBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108178
c1(C(=O)NC2CCN(CC2)C2CCS(=O)(=O)CC2)c2CCCc2[nH]n1	ZINC22_299763504,MCULE-7831731731,EMOLS-id_68874129,PC-id_118762904	366.478	WMSRCEFZYKYDQQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108179
c1(NC(=O)CC2CCCC2)c2CSCc2nn1CC(=O)NCCOC	EMOLS-id_24913285,ZINC22_23138969,PC-id_30862289,MCULE-4027897138,CoCoCo_5277577	366.478	GRBCEKYZRDPBMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108180
c1(NC(=O)C(=O)N2CC(C)OC(C)C2)c2CSCc2nn1C(C)(C)C	PC-id_18584378,MCULE-8948971085,EMOLS-id_5617934	366.478	MAIPWJZZMHFUMM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108181
c1(NC(=S)NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)OC	MCULE-7115062315,TIMTEC583537,ZINC22_2195481,PC-id_1829614,STOCK3S-43108,EMOLS-id_4505172	366.478	YWQZSHPMDDLHDT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-108182
CCC(C(=O)N1CCOCC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003789	366.478	LDVVMGOZVZJXJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108183
C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)C[C@@H](C)O1	CoCoCo_5184728,PC-id_7685578,ZINC22_5438364	366.478	MAIPWJZZMHFUMM-GHMZBOCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108184
C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)C[C@@H](C)O1	PC-id_7685576,ZINC22_12471786,CoCoCo_5184726	366.478	MAIPWJZZMHFUMM-PHIMTYICSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108185
C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)C[C@H](C)O1	PC-id_7685577,ZINC22_5438363,CoCoCo_5184727	366.478	MAIPWJZZMHFUMM-QWRGUYRKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108186
CN(C)CC(=O)N1CCc2sc(cc12)C(=O)NCCN1CCOCC1	ZINC22_96264515,PC-id_97524454,EMOLS-id_44378874	366.478	BBESSKONMUBWID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108187
NC(=O)c1c(NC(=O)CNCCCN2CCOCC2)sc2c1CCC2	PC-id_2438700,ZINC22_3323226,CoCoCo_3686501,MCULE-9185040685	366.478	SGUWHMRGWRRQDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108188
O=C1C(CCCN1C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101081896	366.478	FNISGJXZBXWDRZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108189
O=C1CCCCN1CC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100235629	366.478	MRPVMXLWWQTKBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108190
O=C(c1cnn2c1CCC2)N1CCCC(C1)S(=O)(=O)NC1CCCC1	EMOLS-id_101228014	366.478	PMROYDFRQSOJKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108191
O=C(c1nn2c(c1)CCC2)N1CCCC(C1)S(=O)(=O)NC1CCCC1	EMOLS-id_101332768	366.478	MYAQJAUPOXYAGT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108192
O=C(NCc1n[nH]c2c1CCC2)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC22_299763793	366.478	DFWWANUCMPDCJR-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108193
O=C(NCc1n[nH]c2c1CCC2)C1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC22_299763794	366.478	DFWWANUCMPDCJR-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108194
O=C(NCc1n[nH]c2CCCc12)C1CCN(CC1)C1CCS(=O)(=O)C1	PC-id_118760856,EMOLS-id_68869207,MCULE-3229074262	366.478	DFWWANUCMPDCJR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108195
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(CC(=O)NC(C)C)C)C)C(=O)N	PC-id_26374185	366.478	LRQONIABZYROGC-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-108196
s1c2c(CCC2)c(c1NC(=O)[C@H](N(CC(=O)NC(C)C)C)C)C(=O)N	PC-id_26374188	366.478	LRQONIABZYROGC-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108197
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)NC(C)C)C)C)C(=O)N	PC-id_24507145	366.478	LRQONIABZYROGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108198
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N(CC)CC)C)C(=O)N	PC-id_8692427	366.478	DVCBXWWECBKDQX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108199
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)(C)C)C)C(=O)N	PC-id_8766930	366.478	PMYGDMOJJHCZIS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108200
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)C)CC)C(=O)N	PC-id_8907502	366.478	GBMZZXBEJATSFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108201
S1Cc2c(NC(=O)C3CCCCC3)n(nc2C1)CC(=O)NCCOC	PC-id_44052976	366.478	RHDUZXPGYFLBLI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108202
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)CCCC	PC-id_44053112	366.478	DQRXLYVFYLCDFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108203
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)C(C)(C)C	PC-id_44053113	366.478	JDVJNHYSWQAYMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108204
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)CC(C)C	PC-id_44053114	366.478	GRCJLWSIDAMSQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108205
CC1(C)CCc2sc(NC(=O)N3C[C@@H](C#N)[C@H](c4ccccc4)C3)nc12	MCULE-7160585456,EMOLS-id_102010707,ZINC22_333480522	366.48	FNKJNPDVCNNRAH-CABCVRRESA-N	00000010100000110001100010000000000000000000000000000000	25-01-108206
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1cccc(c1)C	SCHEMBL15002041,PC-id_89607953	366.48	YCNBUXCMCIZEPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108207
CC(C)c1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	EMOLS-id_328222073,MCULE-5499792920	366.48	RNXBVXPRECKCSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108208
CCCc1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	MCULE-9926091017,EMOLS-id_328224638	366.48	SXCBBIFCXIPLRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108209
N#Cc1c(NC(=O)CCN2CCCC2c2ccccn2)sc2c1CCC2	MCULE-6359380271,PC-id_72108015,EMOLS-id_42923665	366.48	DKBNABOWUOTFQW-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-108210
N#Cc1c(NC(=O)CCN2CCC[C@H]2c2ccccn2)sc2c1CCC2	PC-id_95788015,ZINC22_72311931	366.48	DKBNABOWUOTFQW-KRWDZBQOSA-N	00000010100000101000100010000000000000000000000000000000	25-01-108211
N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccccn2)sc2c1CCC2	PC-id_95788016,ZINC22_72311932	366.48	DKBNABOWUOTFQW-QGZVFWFLSA-N	00000010100000101000100010000000000000000000000000000000	25-01-108212
N#Cc1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CCC2	CoCoCo_3565797,SPECS-id_AO-476/43362633,MCULE-4709113826,ZINC22_34867533,BindingDB_PC-id_1241258,BindingDB-id_92233,CoCoCo_3565796,PC-id_1241258,EMOLS-id_3457139,CHEMBL1601001	366.48	WVGRTYCCARDHGG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108213
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)CCc1cccs1	PC-id_68443332,SCHEMBL2925652	366.48	YTEKPPBRRHDCMS-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108214
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)CCc1cccs1	SCHEMBL2917059,PC-id_68440167	366.48	FGZRUJCLASPOKK-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108215
s1c2CCCc2cc1C(=O)Nc1n(ncc1)Cc1ccc(N(C)C)cc1	PC-id_78806602	366.48	FBWWDXSESPBABL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108216
c1(NC(=S)NC(=O)C2CCCCC2)sc2c(CCC2)c1C(=O)OC	MCULE-4695538110,PC-id_19187942	366.498	SZOSTRJHWWVQRR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108217
Cc1cn2C(=CC(=O)C3CNCCS3)CSc2c1C(=O)OC(C)C	SCHEMBL9038280,PC-id_88403608	366.498	JTWQCABJQDMKKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108218
Cc1cn2C(=CC(=O)N3CCSCC3)CSc2c1C(=O)OC(C)C	SCHEMBL9038278,PC-id_88403607	366.498	ZFIJSEIAPARQFN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108219
CC(OC(=O)c1c(C)cn2c1SC/C/2=CC(=O)C1CNCCS1)C	SCHEMBL9038272,PC-id_19903364	366.498	JTWQCABJQDMKKO-WUXMJOGZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108220
COc1cccc(c1)S(=O)(=O)c1cc2c(s1)N(CC2)CCN(C)C	SCHEMBL5240852,PC-id_69367337	366.498	VFDRJIWCZVLWMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108221
COc1cccc(c1)S(=O)(=O)C1CN(c2c1ccs2)CCN(C)C	SCHEMBL5240846,PC-id_22149009	366.498	HSHIFVOPOHNYND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108222
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC)C(=O)OCC	PC-id_51617117	366.498	FFAOSOOBFAJPRY-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108223
s1c2c(CCC2)c(c1NC(=S)NC(=O)C1CCCC1)C(=O)OCC	PC-id_4924424	366.498	AQFBSQZTRYESHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108224
s1c2c(CCC2)c(c1NC(=S)NC(=O)CC1CCCC1)C(=O)OC	PC-id_54786327	366.498	UTUUJEULISGLHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108225
CC1CC(C)CN(C1)C(=O)c1ccc(c(c1)NC1CC(n2c1ncc2)C)C	EMOLS-id_101406376	366.5	VRZRALLVNJPZCM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108226
CC(c1ccc(cc1)C1CCCCN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101577033	366.5	WYOOWXKFMBBKNL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108227
CCCc1ccc(cc1)C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	EMOLS-id_46182041,PC-id_97405342,ZINC22_96084516	366.5	QUHOMIDRMWLXEX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108228
C[C@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1	CoCoCo_460350,CoCoCo_460354,CoCoCo_460342,ZINC22_12144913,PC-id_51494113,CoCoCo_460346	366.5	ZDJXYZAJHDCBSI-RDJZCZTQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108229
C[C@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1	CoCoCo_460353,CoCoCo_460349,CoCoCo_460345,ZINC22_253603526,CoCoCo_460341	366.5	ZDJXYZAJHDCBSI-DOTOQJQBSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108230
C[C@@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_12144912,CoCoCo_460340,CoCoCo_460344,CoCoCo_460348,CoCoCo_460352,PC-id_51494111	366.5	ZDJXYZAJHDCBSI-WBVHZDCISA-N	00000010100010110001000010000000000000000000000000000000	25-01-108231
C[C@@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_253603527,CoCoCo_460351,CoCoCo_460347,CoCoCo_460343,CoCoCo_460339	366.5	ZDJXYZAJHDCBSI-NVXWUHKLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108232
CN1CCC(C(C1)C)CCc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_24872108,PC-id_46959009,SYN-12232546,MCULE-4134247517	366.5	ZDJXYZAJHDCBSI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108233
CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(cc1)CN1CCCCCC1	PC-id_135090165	366.5	DOFMSACREQEQJK-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-108234
O=C(C(N1CCC(CC1)Cc1ccccc1)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98930866	366.5	RSSNEJGOHAVEBC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108235
O=C(N1CCCC1c1ccc(cc1)C(C)(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101436639	366.5	MKHKXYRSRYDBRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108236
O=C(N1CCC(CC1)Cc1ccc(c(c1)C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101422926	366.5	SBIQFIZMHJXBSR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108237
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)N(C)C	PC-id_92109863	366.5	IMAVBZYTIZHZKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108238
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cccc(c1)N(C)C	PC-id_92109864	366.5	PLOWGVVWGHMXTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108239
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Nc1ccc(c(c1)C)C	PC-id_92109984	366.5	LIZZGZWULGXHQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108240
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)NCCc1ccccc1	PC-id_92109982	366.5	LZNJYTRKAPLZHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108241
s1c2CCCc2nc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1	PC-id_51424963	366.5	NTUFUOBWEKUODV-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108242
s1c2CCCc2nc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1	PC-id_51424967	366.5	NTUFUOBWEKUODV-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108243
s1c2CCCc2nc1NC(=O)C(Sc1ccccc1)c1ccccc1	PC-id_4186071	366.5	NTUFUOBWEKUODV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108244
CC(c1cscc1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100242382	366.501	STWJUWBATRELJO-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-108245
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CC[NH+](CC1)CC	PC-id_7685581	366.502	FATXBNNPGPVIGM-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108246
CCC1CN(CCC1c1ccccc1)C(=NC)NCc1nnc2n1CCC2	PC-id_109566555	366.503	QYWMANPOBCRDFS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108247
CCN(c1ccc(c(c1)C)/N=C/1c2nnc(n2N=C1C(C)(C)C)CC)CC	SCHEMBL10056728,PC-id_58282957	366.503	JNACAQYXCYMRND-PYCFMQQDSA-N	00000011100000110001000010000000000000000000000000000000	25-01-108248
CCN(c1ccc(cc1)/N=C/1c2nc(nn2N=C1C(C)(C)C)C(C)C)CC	PC-id_58966116,SCHEMBL92450	366.503	XQTRZQYKTPPEIQ-XLNRJJMWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-108249
CCNC(=NCc1nnc2n1CCC2)N1CCC(C(C1)C)c1ccccc1	PC-id_109544244	366.503	UCRJADXTACJBPA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108250
CCNC(=NCc1nnc2n1CCC2)N1CCC(CC1)Cc1ccccc1	PC-id_111152744	366.503	LQMAQNZADKARCA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108251
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCC1)c1ccccc1	PC-id_111020561	366.503	SFAQPGNLHLNOLW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108252
c1(NC(=O)CCCCCC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3930432559,EMOLS-id_334391059	366.518	LNQXEUDCWVKZFR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108253
COCCNC(=O)c1c(NC(=O)CC(C)(C)C)sc2c1C(C)(C)CC2	BindingDB_PC-id_71461320,PC-id_71461320	366.518	IFDNPDHNPZKLBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108254
CCCNC1c2cc(sc2S(=O)(=O)C1(C)CCC)S(=O)(=O)N	PC-id_21735826,SCHEMBL9652986	366.52	JQIOLBMOVUKONQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108255
CC1CCCCN1CC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100222219	366.521	IVMZMRFZLZKOJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108256
CC1CCN(CC1)C1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231354	366.521	YAEHVXKMVQERJJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108257
CC(C(C(=O)NCCc1nc2n(c1)CCS2)N1CC(C)OC(C1)C)C	EMOLS-id_99846155	366.521	HZRXTVLLMHNFRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108258
C[C@@H]1CN(CCN(C(=O)Nc2sc3c(n2)C(CC3)(C)C)C)C[C@@H](O1)C	EMOLS-id_102008790	366.521	CBDWUFAKDXKBNY-BETUJISGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108259
CN(C(=O)Nc1sc2c(n1)C(CC2)(C)C)CCN1CCOC(C1)(C)C	EMOLS-id_102008781	366.521	KXAYJUXKFNXBEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108260
O=C(N1CCN(C(C1)C)CC(O)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007260	366.521	ZZFGDRAOXTWXGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108261
O=S(=O)(c1cnc2n1CCC2)N1CCCN(CC1)CC1CCCCC1	EMOLS-id_100197030	366.521	LIICCDJYSKRBJB-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-108262
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)C(CCC)CCC	PC-id_44052828	366.521	YFWOUWPDDIXPDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108263
CCNC(=NCc1nnc2n1CCC2)NC1CCCC(C1)S(=O)CC	PC-id_109437951	366.525	NFJAICYZCJQUJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108264
[Si](OCC1N(C(=O)c2c1c[nH]c2)C(=O)OC(C)(C)C)(C(C)(C)C)(C)C	PC-id_72971080	366.527	GHMGCDDTFVTNRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108265
[Si](OC[C@H]1N(C(=O)c2c1c[nH]c2)C(=O)OC(C)(C)C)(C(C)(C)C)(C)C	PC-id_11462730	366.527	GHMGCDDTFVTNRV-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108266
CCOC(=O)n1nc2c(c1NC(=O)C([Si](C)(C)C)(C)C)CNC2(C)C	PC-id_140883033	366.531	SDVGUQKPNQWVME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108267
CCCNC(=O)c1c(NC(=O)C2C(C2(C)C)(C)C)sc2c1CCS2	PC-id_68906099,SCHEMBL4084889	366.541	HHDLMNNZNARYEF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-108268
s1c2c(CCC2)c(c1NC(=S)NC1CCC(CC1)CC)C(=O)OC	PC-id_20179842	366.541	SZIOGGAWWCSOPB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108269
s1c2c(CCC2)c(c1NC(=S)NC1CCCCCCC1)C(=O)OC	PC-id_19650557	366.541	BLRHENDEVQDWES-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-108270
c1(NC(NC(=O)CC)C(Cl)(Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_1022300,MCULE-8418612019,PC-id_3607339,TIMTEC168023,SPECS-id_AT-225/NB93090	366.694	GHETYDIMCRQHPL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108271
CCC(=O)N[C@@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl	CoCoCo_5796261,ZINC22_5241834,PC-id_7579485	366.694	GHETYDIMCRQHPL-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108272
CCC(=O)N[C@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl	CoCoCo_5796262,PC-id_7579337,ZINC22_5241663	366.694	GHETYDIMCRQHPL-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108273
CC(C)(C)OC(=O)NCC1CCc2c1c(c(s2)Br)Cl	SCHEMBL14906799,PC-id_89535168	366.702	QTCOWQOACQVSHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108274
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CNC(=O)OCc1ccc(cc1)Cl	PC-id_86604810	366.756	DOCOIYXEEYCIFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108275
Clc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68441437,SCHEMBL2920915	366.844	LNIPFJWVGKSKRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108297
Clc1ccc(cc1)N(C(=O)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_23081392,SCHEMBL5537899	366.756	IBDLIQPVLHXMDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108276
Clc1ccc(cc1)N(C(=O)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_69481938,SCHEMBL5545054	366.756	IBDLIQPVLHXMDQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108277
Clc1ccc(cc1)N(C(=O)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL5545058,PC-id_69481941	366.756	IBDLIQPVLHXMDQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108278
Clc1ccc(N(CCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C(=O)O)cc1	PC-id_69482735	366.756	UZZCNVMBVDRXJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108279
O=C(N=c1cc2n([nH]1)CCC2)C(=O)NCCOc1c(F)cccc1Cl	ZINC22_1875288821,EMOLS-id_324068688,PC-id_146102591,MCULE-2754209651	366.775	FOCQSUBIXAHUET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108280
Clc1ccc(OCCN(C[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)cc1	SCHEMBL5543190,PC-id_69481534	366.799	DRUAAXXDYCPNJE-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108281
Clc1ccc(OCCN(CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)cc1	SCHEMBL5543198,PC-id_23081162	366.799	DRUAAXXDYCPNJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108282
Clc1cc([N+](=O)[O-])c(OC(CN(CC2Oc3n(C2)ccn3)C)C)cc1	PC-id_77659708	366.799	FJSUBUFFUQWYFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108283
Clc1cc([N+](=O)[O-])c(OC(CN(C[C@@H]2Oc3n(C2)ccn3)C)C)cc1	PC-id_69481535,SCHEMBL5543194	366.799	FJSUBUFFUQWYFL-YUZLPWPTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108284
Cc1c(cc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C)Cl	PC-id_89236093,SCHEMBL14054257	366.819	FQZYHMOTGDZOEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108285
COC(=O)C1CCc2c1cc(s2)NC(=O)c1ccc(cc1Cl)NO	PC-id_143029553	366.819	ZXOSBJIBVBBOJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108286
n12nc(nc1sc(=Cc1cccnc1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-5260467395	366.824	PJSQKPMHHPUIBN-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-108287
n12nc(nc1sc(=Cc1ccncc1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-1305048339	366.824	IEWCNJFHJHDKHV-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-108288
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(O)ccc(Cl)c1	EMOLS-id_328217724,MCULE-9252076844	366.841	PDNMVXDQWGPSHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108289
Clc1sc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7146589	366.842	HFEFDPSFESTVES-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-108290
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1ccc(cc1)Cl	PC-id_90843585	366.844	WOGUKONWSMRUJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108291
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1cc(ccc1)Cl	PC-id_91494648	366.844	YXTXCPFNMFHFOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108292
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1ccccc1Cl	PC-id_91507681	366.844	QIACASXMHCDSDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108293
Clc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68439428,SCHEMBL2914990	366.844	JAHXZHGSRWIJQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108294
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68442035,SCHEMBL2922555	366.844	FUUQYZXIGQCKPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108295
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2920911,PC-id_68441436	366.844	KVMNWWAGXHBERJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108296
Clc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68442036,SCHEMBL2922557	366.844	ULDSPJFFIXGTSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108298
Clc1c(C(=O)Nc2n[nH]c3CN(Cc23)CCc2ccccc2)cccc1	SCHEMBL2914992,PC-id_68439429	366.844	MSXJNCQRKOMTTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108299
O=C(OC(C)(C)C)NCC(CNC1CCc2c1cc(s2)Cl)(F)F	PC-id_107257419	366.854	YBVJLGIEAOCNTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108300
Clc1cc(SCC(=O)Nc2sc3CCCc3c2C#N)ccc1F	PC-id_9515186	366.861	CEARDMLTEZEUFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108301
CC1(c2c(C(O1)(C)C)sc(n2)NC(=O)c1c(ccc(c1)Cl)OC)C	SCHEMBL3384383,PC-id_87518926	366.862	JISANSTVYPTQND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108302
CC1(c2c(C(O1)(C)C)sc(n2)NC(=O)c1cc(ccc1)OCCl)C	SCHEMBL15135423,PC-id_89709728	366.862	XTDXRHBFJKOQBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108303
CCCCn1/c(=N/C(=O)c2cc(Cl)ccc2OC)/sc2c1COC2	PC-id_25123304,SCHEMBL3669970	366.862	QGYRLZUXSQKIAD-ZPHPHTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-108304
CCCCn1c(=NC(=O)c2cc(Cl)ccc2OC)sc2c1COC2	SCHEMBL3669975	366.862	QGYRLZUXSQKIAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108305
CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=Cc1ccccc1Cl)/S2	CoCoCo_5722857,PC-id_6334524,ZINC22_1636453	366.862	NDECNXYSCZESKZ-XYOKQWHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108306
CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=C/c1ccccc1Cl)/S2	PC-id_5478638,CoCoCo_5722856,ZINC22_5853256	366.862	NDECNXYSCZESKZ-WQLSENKSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108307
Clc1c(C=C2Sc3sc(c([n+]3C2=O)C)C(=O)OCC)cccc1	PC-id_438681	366.862	NDECNXYSCZESKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108308
Clc1c(OCCC)c(OC)cc(C(=O)Nc2sc3CCCc3n2)c1	PC-id_33039388	366.862	YXNNMXWIPQHMEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108309
COc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1OC(C)C	ZINC22_15636913,PC-id_26723389,MCULE-6753368175,CoCoCo_4109978,EMOLS-id_43963484	366.862	QDFGBMGLIFZAFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108310
c12SCCn1cc(CNC(=O)Nc1ccc(c(Cl)c1)OCCC)n2	EMOLS-id_68911503,PC-id_118780586,ZINC22_299781685,MCULE-2574221724	366.866	CZHTYTYVZZCQIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108311
Clc1ccccc1C1CNCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302859157,MCULE-3821479308,PC-id_120876778	366.866	TVALDFMTZLXVHA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108312
Clc1cccc(c1)C1CNCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302861742,MCULE-1573610133,PC-id_120876902	366.866	LUKSEFNEVCSZPY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108313
Clc1ccccc1N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100177937	366.866	KSXAHRUPZFLCPS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108314
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100182297	366.866	UHYWVDOFXJRKSL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108315
Cc1nn(c2ccccc2)c(Cl)c1/C=N/c1sc2c(c1C#N)CCC2	PC-id_9661111,ZINC22_3530011,CoCoCo_3634929	366.867	ZMNUVZYXHGBFHZ-SSDVNMTOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108316
Clc1n(nc(c1C=Nc1sc2CCCc2c1C#N)C)c1ccccc1	PC-id_2645891,EMOLS-id_26152567,MCULE-7902054101	366.867	ZMNUVZYXHGBFHZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108317
N#Cc1c(/N=Cc2c(C)nn(c2Cl)c2ccccc2)sc2c1CCC2	CoCoCo_3634930	366.867	ZMNUVZYXHGBFHZ-JJFYIABZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108318
O=C(NCCSCc1ccnc(Cl)c1)NCc1nnc2n1CCC2	EMOLS-id_48332763,ZINC22_96004143,MCULE-4086031253,PC-id_75452233	366.869	RXROTHCLEQYHTR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-108319
c1(NC(=O)c2cc(ccc2Cl)SC)sc2c(CCC2)c1C(=O)N	PC-id_35280813,CoCoCo_6400869,EMOLS-id_13109924,MCULE-3680952386,ZINC22_27924395	366.885	KQWGPKWVYOLIDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108320
c1(NC(=O)CSc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	CoCoCo_938205,ChEMBL-DNDi_CHEMBL7507429,SPECS-id_AG-670/41728622,MCULE-2525872316,ZINC22_724775,PC-id_1048359,EMOLS-id_2216563	366.885	HBKWPFSVOVSMKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108321
c1(NC(=S)Nc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	TIMTEC539731,ZINC22_2522265,PC-id_3300684,CoCoCo_6784823,MCULE-8961001693,EMOLS-id_842555	366.885	WZXUWMPMBIEOPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108322
c1(NC(=S)Nc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	PC-id_3300688,ZINC22_6626613,CoCoCo_6800613,TIMTEC430655,EMOLS-id_4044594,MCULE-4712562153	366.885	ROHQCHKRXDTJIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108323
Clc1c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_3255139	366.885	LDARAMIMOSLZRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108324
COC(=O)c1c(NC(=S)Nc2ccccc2Cl)sc2c1CCC2	PC-id_20409138,ZINC22_8092161,MCULE-1138450335,EMOLS-id_44514643	366.885	NLJPOUFLIVYLCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108325
CSCC(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cn1)CCC2	ZINC22_446609007,EMOLS-id_320376411,MCULE-3365221823,PC-id_145896848	366.885	FMTGEGKRCGQVBJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108326
Clc1sc2c(C(C(=O)N3C(CN4CCCC4)CCCC3)CC2=O)c1	SCHEMBL8900765,PC-id_18915097	366.905	NTXLGPDVHRRYKN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108327
Clc1sc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc1	PC-id_9115778	366.909	MPRJGEWGXGFUCE-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-108328
Clc1nc2SCCn2c1CSCCN/C(=C/[N+](=O)[O-])/SC	PC-id_50878395	366.91	QXCVLUJJXFEBAU-TWGQIWQCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108329
Clc1nc2SCCn2c1CSCCNC(=C[N+](=O)[O-])SC	PC-id_75572673	366.91	QXCVLUJJXFEBAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108330
CC1(C2=NN(C(=C2CN1C(=O)Cl)NC(=O)C3=CC=CS3)C(=O)[O-])C	PC-id_160724570	367.027	RTNPZEHEJCINII-UHFFFAOYSA-M	00000010100100000001000010000000000000000000000000000000	25-01-108331
CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2(CCN3C2=CC(=C3)Cl)C(=O)O	PC-id_154507181	367.028	WZJYLQYTZKDVDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108332
C/C=C(CCC(=C)C1(Cn2cc(nc2O1)[N+](=O)[O-])CC=C)/Br	PC-id_164003054	367.053	UKQPFKFUAOQWCB-LFYBBSHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108333
CCCCN1C(=O)c2c(Br)sc(Br)c2C1=O	LI_223556,CoCoCo_5769160,SCHEMBL16356283,EMOLS-id_93435090,PC-id_396288,MCULE-5934869561,NSC701986	367.057	QIEDHDBRHPTGIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108334
CC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)C	PC-id_144760340	367.057	LRGVACCWKLMNEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108335
CC1(C2=C(CN1C(=O)[O-])C(=NN2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)C	PC-id_161920361	367.102	YHXSMZZGYGBRBP-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-108336
CC(C1=CC=C(C=C1)C(=O)[O-])NC(=O)C2=C3NCCN3N=C2C(F)(F)F	PC-id_161072122	367.102	UEUIIGQNJHRDFC-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-108337
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=NC=C3)C(F)(F)F)NC(=O)[O-]	PC-id_150403783	367.102	HEIBQSWIJKLZCS-UHFFFAOYSA-M	00000010100000101000000010000000000000000000000000000000	25-01-108338
Brc1sc(c2c1C[NH+](C2)CC1=[NH+]CCN1)Br	GLL_PC-id_44211764	367.103	AAJMFTWUUDTDEB-UHFFFAOYSA-P	00000011100000000001000010000000000000000000000000000000	25-01-108339
C1C2=C(CN1C(=O)CC3=C(C=CC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-])NN=C2	PC-id_160920296	367.108	NSLNBRZVROYOTK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-108340
CCOC(c1c2N(CCn2nc1C=C)Cc1cc(ccc1)C(F)(F)F)O	PC-id_163535955	367.151	DWYZVHAWLHKBNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108341
Brc1ccc(c(n1)NC(=O)N1Cc2c(C1)cnn2C)[N+](=O)[O-]	PC-id_142402224	367.158	LOYPTCOBVJOCLB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-108342
c1(C(=O)Nc2ccc(cc2C)I)c2CCCc2[nH]n1	EMOLS-id_335094179,MCULE-7587033591	367.185	ZXWQOHMNQSFFMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108343
c1(C(=O)Nc2ccc(cc2I)C)c2CCCc2[nH]n1	MCULE-6059820897,EMOLS-id_335107246	367.185	HRZYXDRRWFRFNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108344
Ic1ccc(CC(=O)Nc2n[nH]c3CCCc23)cc1	PC-id_10292380	367.185	ONOKLBZBOCDIGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108345
CN(Cc1nn2c(c1Br)CC(C2)(F)F)CCN(C(=O)O)C	SCHEMBL21315194,PC-id_139451365	367.19	XWJNGRUHXWZHJG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108346
CNC(=O)OCCN(Cc1nn2c(c1Br)CC(C2)(F)F)C	SCHEMBL21315195,PC-id_139451366	367.19	TTYKKTAGMCOJQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108347
COc1cc(NC(=O)N2CCn3c2ncc3)c(cc1OC)Br	EMOLS-id_319647200	367.198	PBWJDWFJROLPQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108348
c1(C(=O)O)c2C(C)CCc2n(Cc2c(F)ccc(C)c2Br)n1	MCULE-5886400189,EMOLS-id_330988529	367.213	BYMRUDGKHMJBPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108349
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(Br)ccc2F)n1	EMOLS-id_330990583,MCULE-4191429687	367.213	ACRZGUWCASOHFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108350
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(Br)cc(F)c2)n1	MCULE-4887084284,EMOLS-id_330991095	367.213	FDJOOIKDPNILPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108351
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(Br)c2)F)n1	EMOLS-id_330990327,MCULE-5348725481	367.213	CZHLNAANCQZKMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108352
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(Br)c2F)n1	MCULE-1950499817,EMOLS-id_330990839	367.213	ZIKUBBGPXDSMFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108353
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2Br)F)n1	MCULE-3980614715,EMOLS-id_330992375	367.213	YRIOYVGXLIAOFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108354
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2F)Br)n1	EMOLS-id_330993142,MCULE-1302007175	367.213	XLSBRKFNDOCDLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108355
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(cccc2F)Br)n1	MCULE-5100190864,EMOLS-id_330992631	367.213	KHELBVOXXQEELE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108356
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(F)c2)Br)n1	MCULE-2783763892,EMOLS-id_330993398	367.213	OBRKBYBJZQMHAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108357
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(F)c2Br)n1	MCULE-6909734679,EMOLS-id_330992887	367.213	BGENHLDJOZXOQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108358
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(Br)ccc1F	MCULE-5508446685,EMOLS-id_330976434	367.213	IGJBFBLAEIFRSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108359
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(Br)cc(F)c1	MCULE-8339642425,EMOLS-id_330976946	367.213	UCSGMKRAGIMYGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108360
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)F	EMOLS-id_330976178,MCULE-9266890332	367.213	UIKUDHXEJFLRTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108361
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(Br)c1F	EMOLS-id_330976690,MCULE-6003063149	367.213	VSUAPZWTMNWBFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108362
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1Br)F	MCULE-6294186920,EMOLS-id_330974131	367.213	FSASXJPUAYRWMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108363
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1F)Br	MCULE-2647370087,EMOLS-id_330974898	367.213	FIGOBVPEQFFOKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108364
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(F)c1Br	EMOLS-id_330974643,MCULE-4259995493	367.213	OFEOHZXSWPXTOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108365
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)Br	MCULE-9129945726,EMOLS-id_330975154	367.213	TXMPBLCJCGYWHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108366
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(C(=O)O)c12	MCULE-6213707836,EMOLS-id_330967485	367.213	YQTYJWKFTHMPLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108367
COC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1Br	MCULE-3307612238,EMOLS-id_330974387	367.213	NCQMBDMGGQBSMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108368
Brc1cccc(n1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108090310	367.218	DCWZIWLCKNISTQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108369
Brc1ccc(nc1)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_62960036	367.218	KHFBQLRZZGQTHQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108370
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)cnc1	PC-id_43328004	367.218	ZZWMWPAHXXJXBW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108371
Brc1nccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108089637	367.218	RPQJLSMWWVNSCH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108372
Brc1ncc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)cc1	PC-id_66462062	367.218	FFLCWBWCDZNMIB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108373
COc1cc(/C=c/2sc3n(c2=O)c(cn3)C)c(cc1O)Br	PC-id_140896942	367.218	RPFHWKWSMNOBCL-QCDXTXTGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108374
COc1cc(/C=c/2sc3nc(C)cn3c2=O)c(Br)cc1O	CHEMBL4530521	367.218	DVIXJQODYJQPJF-QCDXTXTGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108375
O=C(c1cccnc1Br)Nc1sc2c(c1C(=O)O)CCC2	PC-id_108083153	367.218	OTJARBJRABHLQD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108376
O=C(c1ncccc1Br)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107516985	367.218	ANGCSPYWCVRIBM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108377
c12CN(Cc1nn(C(C)C)c2I)Cc1ccccc1	MCULE-5211236214,EMOLS-id_324344421	367.228	FYEDCENAGUJCGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108378
CC1CCc2c1c(CN)nn2Cc1ccccc1I	EMOLS-id_331017970,MCULE-7776580531	367.228	WABBIUJFTRZLLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108379
CC1CCc2c1c(CN)nn2Cc1cccc(I)c1	MCULE-4953429837,EMOLS-id_331017714	367.228	JKUZADUWJPWYAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108380
CC1CCc2c1c(CN)nn2Cc1ccc(I)cc1	MCULE-2896246068,EMOLS-id_331017458	367.228	VALIWQZLCZDCJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108381
CC1CCc2nn(Cc3ccccc3I)c(CN)c12	EMOLS-id_330995645,MCULE-2029469722	367.228	DNIQEFVFTLDVRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108382
CC1CCc2nn(Cc3cccc(I)c3)c(CN)c12	MCULE-3229514235,EMOLS-id_330995389	367.228	QLWXVYYSRLPXBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108383
CC1CCc2nn(Cc3ccc(I)cc3)c(CN)c12	EMOLS-id_330995133,MCULE-9444523775	367.228	YGXPAFQIRHZANX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108384
Brc1cc(C=NNC(=O)c2sc3CCCc3c2)c(F)cc1	PC-id_85015411	367.236	IAJADVLQMWYWHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108385
Brc1cc(F)c(C=NNC(=O)c2sc3CCCc3c2)cc1	PC-id_85015414	367.236	HTUXKYMIDHTYFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108386
c1(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c(CCC2)c1C#N	EMOLS-id_322625603,MCULE-7203612366	367.25	JIRPUWSCQYEEPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108387
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-1092137341,EMOLS-id_322626881,PC-id_8181414	367.25	YRCWVUQDPDODIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108388
Clc1ccc(OCC(=O)Nc2sc3CCCc3c2C#N)c(Cl)c1	SPECS-id_AN-153/I181366,EMOLS-id_1487160,MCULE-4432913566,ZINC22_4454701,PC-id_3154709,CoCoCo_356039,BAS-06848400,TIMTEC308086	367.25	MHKBGZWTSFAJSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108389
Clc1cc(OCC(=O)Nc2sc3CCCc3c2C#N)ccc1Cl	PC-id_8250097	367.25	KPFBUHNFAUHKJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108390
COc1c(Cl)cc(cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_356032,MCULE-7193979751,BAS-06848362,ZINC22_803471,EMOLS-id_1487148,PC-id_1086012,SPECS-id_AN-153/I226311	367.25	KQFLEUCXAOBEEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108391
COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_408628864	367.25	FEXYEQRTGXJAKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108392
CC1CCc2c1c(CBr)nn2Cc1ccc(OCCF)cc1	MCULE-8694983495,EMOLS-id_331032321	367.256	YYORRUHSCSPKAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108393
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(CBr)c12	EMOLS-id_331011259,MCULE-6657575534	367.256	CZPRZTWMOAEZFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108394
CCOc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1F	MCULE-9382593869,EMOLS-id_331011003	367.256	DXDBRXGIIUAQRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108395
CCOc1ccc(Cn2nc3CCC(C)c3c2CBr)c(F)c1	MCULE-9480748466,EMOLS-id_331011515	367.256	FMATVHBJRAQWOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108396
CCOc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1F	MCULE-9998162960,EMOLS-id_331032065	367.256	YIKGLXWGPPNFBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108397
CCOc1ccc(Cn2nc(CBr)c3C(C)CCc23)c(F)c1	EMOLS-id_331032577,MCULE-6283810261	367.256	SIEIRVUFEWPNBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108398
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016114,MCULE-3624081458	367.256	ASEYVTMXUBDZNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108399
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1CBr	MCULE-5500210411,EMOLS-id_331014325	367.256	JHBAAPGXBSHEAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108400
COc1cccc(C(C)n2nc3CCC(C)c3c2CBr)c1F	MCULE-1262923852,EMOLS-id_331014837	367.256	HBZBLNSHCDZXSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108401
COc1ccc(C(C)n2nc3CCC(C)c3c2CBr)c(F)c1	MCULE-7269812337,EMOLS-id_331015858	367.256	BIFHWONCAWVTBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108402
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1CBr	MCULE-9738959433,EMOLS-id_331015350	367.256	SWXSZASQMFVQHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108403
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331015094,MCULE-3504221789	367.256	CNOUYCKXDBIXAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108404
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331014581,MCULE-4070841953	367.256	MPJRPBLZISXSFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108405
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1CBr	MCULE-1114700905,EMOLS-id_331017395	367.256	GGKNBFFSDSCPLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108406
Brc1c(C(=O)c2sc3CCCc3c2)cc(OC)c(OC)c1	PC-id_43463102	367.257	IFVVQPNBCVYSBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108407
Brc1c(C(=O)c2sc3CCCc3c2)c(OC)cc(OC)c1	PC-id_80078890	367.257	RQXXOSWRSXZPBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108408
COc1cc(Br)c(cc1C(=O)c1sc2c(c1)CCC2)OC	PC-id_105056454	367.257	ITWQAJZPDMUDMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108409
COc1ccc(c(c1Br)OC)C(=O)c1sc2c(c1)CCC2	PC-id_116465523	367.257	ITWJSERPQUBGDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108410
Brc1ccc(c(c1)[N+](=O)[O-])CNCc1sc2c(c1)CCC2	PC-id_114381143	367.261	YLLOFJSXXWXPPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108411
Brc1ccc(cc1)OC(C(=O)Nc1sc2c(n1)CCC2)C	EMOLS-id_24127425,PC-id_45837187,MCULE-1665181203	367.261	JVFOTQIYDJRNES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108412
Brc1cc(CNCc2sc3c(c2)CCC3)cc(c1)[N+](=O)[O-]	PC-id_103350636	367.261	GVLQJAIEFBWXFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108413
Brc1cc(CNCc2sc3c(CCC3)c2)c([N+](=O)[O-])cc1	PC-id_81947634	367.261	MMICMEIPZBSUFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108414
Brc1c(CNCc2sc3c(CCC3)c2)ccc([N+](=O)[O-])c1	PC-id_61207421	367.261	DWMLYZWSBSUVSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108415
Brc1cc([N+](=O)[O-])c(cc1NCc1sc2c(c1)CCC2)C	PC-id_108168904	367.261	JLCSWCBJTWDTBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108416
Brc1c([N+](=O)[O-])cc(CNCc2sc3c(CCC3)c2)cc1	PC-id_61207029	367.261	VJTJIJPTHQMKCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108417
Cc1cc(C)c(c(c1)Br)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_104289148	367.261	VITFXNQSVYSSCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108418
Cc1ccc(OCC(=O)Nc2nc3c(s2)CCC3)c(Br)c1	ZINC22_13023861,MCULE-5894166867,PC-id_25676823,EMOLS-id_24132052,CoCoCo_4164314	367.261	QVSIAAPFNYEWSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108419
CCc1cc(Br)ccc1Nc1nc2c(s1)CCC2C(=O)O	PC-id_104289145	367.261	CNLCFLATFSGZEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108420
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4164226,PC-id_25560029,ZINC22_12862107	367.261	JVFOTQIYDJRNES-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-108421
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_12862099,CoCoCo_4164225,PC-id_25560022	367.261	JVFOTQIYDJRNES-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108422
CCOC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)Br	PC-id_104287595	367.261	MOURKFUYPIURRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108425
OC(=O)C1CCc2c1nc(s2)Nc1c(C)cc(cc1C)Br	PC-id_104288853	367.261	LIJHGFQHHNUMBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108426
OC(=O)C1CCc2c1nc(s2)Nc1cc(C)c(c(c1)C)Br	PC-id_107580548	367.261	GVSBBCTZRGPZGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108427
OC(=O)C1CCc2c1nc(s2)NC(c1cccc(c1)Br)C	PC-id_104288157	367.261	AGRHKSCLMPKXSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108428
OC(=O)C1CCc2c1nc(s2)NC(c1ccc(cc1)Br)C	PC-id_104288334	367.261	PHTOVTOHTIVRNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108429
OC(=O)C1CCc2c1nc(s2)N(Cc1cccc(c1)Br)C	PC-id_104288345	367.261	UMRGQZSHSHOLSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108430
OC(=O)C1CCc2c1nc(s2)N(Cc1ccccc1Br)C	PC-id_104288348	367.261	WANBBRZEMZLNPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108431
OC(=O)C1CCc2c1nc(s2)N(Cc1ccc(cc1)Br)C	PC-id_104288523	367.261	UPXGNTHYHGFKMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108432
[O-][N+](=O)c1cccc(c1Br)CNCc1sc2c(c1)CCC2	PC-id_108173148	367.261	COTVPVXDJVFHLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108433
Brc1cc(C(=O)Nc2sc3CCCc3n2)c(NCC)nc1	PC-id_62178801	367.264	MTUGFLDNEDXLST-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-108434
Clc1cc(Cn2c3C(CCc3nc2C(C)C)CC(=O)O)ccc1Cl	PC-id_46829882,SCHEMBL2470077	367.27	ZFJUDSJIDNECHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108435
CCNC(=NCc1ccc(cc1Cl)Cl)NCc1nnc2n1CCC2	PC-id_111020241	367.276	YZRROPKPDOOYPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108436
CN=C(N(Cc1ccc(c(c1)Cl)Cl)C)NCc1nnc2n1CCC2	PC-id_111306283	367.276	NFZPEHMYVOJGRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108437
CN=C(NC(c1ccc(cc1Cl)Cl)C)NCc1nnc2n1CCC2	PC-id_111310456	367.276	JIZDIXFUIBYSKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108438
Brc1cc(C(NC2CC2)c2sc3c(n2)CCC3)ccc1F	PC-id_61333899	367.279	INWSWAGURKJLET-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-108439
Brc1cc(C(NC2CC2)c2sc3c(n2)CCC3)c(F)cc1	PC-id_61333708	367.279	ZJXUCODRCIYEQW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-108440
Brc1cc(F)c(C(NC2CC2)c2sc3c(n2)CCC3)cc1	PC-id_61336054	367.279	MZKLPYBOYAKWAC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-108441
Brc1c(F)cc(C(NC2CC2)c2sc3c(n2)CCC3)cc1	PC-id_81432016	367.279	AUCVZOGEMGJPPZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-108442
Fc1ccc(c(c1)Br)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_108264062	367.279	FTOJFTMCTMPWBZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-108443
Fc1ccc(c(c1)C(c1sc2c(n1)CCC2)NC1CC1)Br	PC-id_108404502	367.279	ORASZYZEHDTYEA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-108444
Brc1sc(C(=O)Nc2sc3CCCc3c2C#N)cc1C	PC-id_79933197	367.284	HYDONZYQAWQHRI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-108445
BrC(c1sc2c(CCC2)c1)c1c(cc(OC)c(OC)c1)C	PC-id_63443388	367.301	JCNZUWFZHSBOMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108446
BrC(c1sc2c(CCC2)c1)Cc1cc(OC)c(OC)cc1	PC-id_63542041	367.301	RJNRBVSYQZSNAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108447
CCCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)O	PC-id_104661260	367.301	QMQOMAMLFSMNFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108448
COc1c(C)cc(c(c1C(c1sc2c(c1)CCC2)O)C)Br	PC-id_104053602	367.301	RROXZBIJUKDEIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108449
Brc1ccc(C(NCCOC)c2sc3CCCc3n2)cc1	PC-id_62542095	367.304	WOYBJJXVHSBPSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108450
Brc1cc(C(NCC)c2sc3CCCc3n2)ccc1OC	PC-id_61330249	367.304	MYKMNOYGDNFQAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108451
Brc1cc(C(NCC)c2sc3CCCc3n2)c(OC)cc1	PC-id_61331837	367.304	CEOUBJTVDVLTSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108452
Brc1cc(C(NCCOC)c2sc3CCCc3n2)ccc1	PC-id_62542256	367.304	OPTNFVGSWKBXSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108453
Brc1c(C(NCCOC)c2sc3CCCc3n2)cccc1	PC-id_62542259	367.304	LXIJQGLPEMIMED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108454
Brc1cn(C(C)C)c(C(=O)NCc2sc3CCCc3c2)c1	PC-id_61208969	367.304	HBDPXKQACCJMHR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-108455
Brc1cn(CCC)c(C(=O)NCc2sc3CCCc3c2)c1	PC-id_63524247	367.304	YHIUBUIIFRCXSX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-108456
CCn1nc(c(c1CC(=O)c1sc2c(c1)CCC2)Br)CC	PC-id_115779498	367.304	VGCADXLETLDGCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108457
CCNC(c1cc(OC)ccc1Br)c1sc2c(n1)CCC2	PC-id_108404421	367.304	DUIXTAAQJKURMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108458
COc1ccc(c(c1)CC(c1sc2c(c1)CCC2)NN)Br	PC-id_105309485	367.304	SBDPXVSQMXFNHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108459
NNC(c1sc2c(c1)CCC2)Cc1cc(Br)ccc1OC	PC-id_105290137	367.304	HJHAQXHJLFMPSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108460
NNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Br)OC	PC-id_105290270	367.304	HZTAUSNUHUZLKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108461
OCC(N(Cc1sc2c(n1)CCC2)C)c1cccc(c1)Br	EMOLS-id_317990364	367.304	KVKCALSNSSSMSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108462
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccccc2C(=O)OC)n1	PC-id_645386,CoCoCo_224961,CHEBI:120563,ZINC22_869809,CHEMBL1469518,EMOLS-id_1359663,TIMTEC412487,MCULE-9171370171,BAS-01939631	367.322	QTVNMBRSHMLISR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108463
OC1CN(C(C1)c1ccccc1C(F)(F)F)C(=O)c1nn2c(c1)OCC2	EMOLS-id_318228213	367.322	VVBJHRPEPLOIGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108464
Brc1scc2c1C(S)(S)C(C2(S)S)(F)F	SCHEMBL14114889,PC-id_89250416	367.34	TXMHHLQHABVUDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108465
O=C(c1cc2n(n1)CCO2)NS(=O)(=O)C1CCC(CC1)C(F)(F)F	EMOLS-id_112051382	367.344	RJEDBSNDBULZDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108466
FC(c1cn(CC(=O)Nc2c(C#N)c3c(CCC3)s2)c(=O)cc1)(F)F	ZINC22_31625259,PC-id_38846302,EMOLS-id_43794695,MCULE-2348132316	367.346	QUUWZMKKJLRCAY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108467
N#Cc1c(NC(=O)Cn2cccc(C(F)(F)F)c2=O)sc2c1CCC2	MCULE-2834679570,EMOLS-id_44523871,PC-id_39040315,ZINC22_31813452	367.346	QVXJCPUABNAAJI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108468
Cc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1(F)F)O)CN1Cc2c(C1)cnn2C	SCHEMBL10360668,PC-id_70350694	367.351	AWRXHGYPIJGXHD-MGPQQGTHSA-N	00000010100000100001100010000000000000000000000000000000	25-01-108469
FC1(F)C(O)C(OC1n1ccc(nc1=O)C)CN1Cc2n(ncc2C1)C	PC-id_77830945	367.351	AWRXHGYPIJGXHD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-108470
C1C(Oc2nc(cn12)[N+](=O)[O-])COCc1ccc(cc1)Oc1ccccc1	PC-id_137646824	367.355	OYOIBWFFKOZQJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108471
O1C(Cn2c1nc([N+](=O)[O-])c2)COc1ccc(OCc2ccccc2)cc1	SCHEMBL1228646,PC-id_50913188	367.355	OACFONRKJOUJJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108472
CCOC(=O)c1c(CC)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740202	367.366	ZTVFGDVWKXMZIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108473
CCOC(=O)c1c(C)nn2c1N(CC2)[C@@H](c1ccc(cc1)C(F)(F)F)C	SCHEMBL18758612	367.366	CZYKFZNDYXWACY-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108474
[O]N1C(C)(C)c2c(C1(C)C)[se]c(c2)CSS(=O)(=O)C	PC-id_101507346	367.366	SQJKDHYHIXNKSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108475
c1(ccc(F)c(F)c1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8447863234,EMOLS-id_328184642	367.367	XOWWGQRKXBXEKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108476
c1(NC(=O)c2ccc(cc2)OC(F)F)sc2c(CCC2)c1C(=O)OC	EMOLS-id_1993896,ZINC22_719388,SPECS-id_AF-399/40703715,MCULE-7420200094,PC-id_1045326,CoCoCo_887084	367.367	FALFGUKAQQISMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108477
CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1C(C)OC2	PC-id_24772221,SCHEMBL2163243	367.367	CSEASZNLSTTXAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108478
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1	PC-id_4666458	367.367	UEOGMFXBVGXGJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108479
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(OC(F)F)cccc1	PC-id_3381935	367.367	CYNUFEXFXDNHLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108480
FC(F)(F)c1n(nc2c1CCC2)CCCNC(=O)c1n[nH]c(C2CC2)c1	PC-id_19591254	367.369	SBUQHUIGVYWRCR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-108481
Fc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1F	EMOLS-id_324915465	367.372	VPBWDVOXKFCVJI-SZFVZERQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108482
Fc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c(F)c1	EMOLS-id_324915977	367.372	CAUJBZWKKQMIOZ-RKQKHZQPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108483
Fc1ccc(F)c(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_324918796	367.372	KKDRVYXSZKFASE-SAEKGINCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108484
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)C=Cc1ccc(cc1)F	MCULE-6018610887	367.372	MQHQEUWGYKJTFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108485
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)C=Cc1ccc(cc1)F	MCULE-5249894355	367.372	YJVJHWQCXHKCKJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108486
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)C=Cc1ccccc1	MCULE-9070147152	367.372	CAUJBZWKKQMIOZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108487
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)C=Cc1ccccc1	MCULE-2157949131	367.372	VPBWDVOXKFCVJI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108488
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)C=Cc1ccccc1	MCULE-4816324848	367.372	KKDRVYXSZKFASE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108489
Cc1c(nc2n1CC(O2)COc1ccc(cc1)c1ccccc1F)C(=O)N	PC-id_86342410	367.374	CQBMBPOHPJNXJF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108490
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(c(N(=O)=O)c1)F	MCULE-4064893550,EMOLS-id_322628165	367.375	AXMOECNJKCSSRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108491
c12CN(Cc1cnn2Cc1ccc(cc1)F)Cc1ccc(c(=O)[nH]1)C(=O)N	EMOLS-id_43581975,PC-id_70749587,ZINC22_77427318,MCULE-2423709008	367.377	ONHDUEWQIDITMW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-108492
Fc1ccc(Cn2ncc3c2CN(C3)CC2=NC(=O)C(C=C2)C(=O)N)cc1	PC-id_77853675	367.377	GYUYUTXVKNSOHG-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-108493
Fc1cc(Oc2c(NC(=O)NCc3n4CCCc4nn3)cccc2)ccc1	PC-id_60554091	367.377	GEBATXRIXGYQDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108494
n12ncnc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O	MCULE-2963677469	367.379	QPNIILGLXLGEOX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-108495
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)C(=O)[O-]	PC-id_69481323,SCHEMBL5542306	367.38	CTUAXFAUXHALMW-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-108496
COc1ccc(cc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)OC	PC-id_68440468,SCHEMBL2917933	367.38	YTHNHRMLBOFGRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108497
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)OC	PC-id_68441363,SCHEMBL2920658	367.38	CDAMNTVMJOGRLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108498
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2917199,PC-id_68440234	367.38	NGQLGCYUHUVYLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108499
COc1ccc(S(=O)(=O)N(C)Cc2nnc3n2CCC3)c([N+](=O)[O-])c1	ZINC22_40039965,EMOLS-id_29617451,CoCoCo_4593041,MCULE-2053629978,PC-id_45865802	367.38	NZIFNGPMRBERRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108500
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	PC-id_68442229,SCHEMBL2922968	367.38	NCZXUOKCFLXSHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108501
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_16796458	367.38	XNIVNZZDPPAKRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108502
CCC(CC)c1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324851949	367.389	OMWYJIGMWQTFBV-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-108503
CCC(CC)c1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324852461	367.389	MDMNGNCHVUBQJM-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-108504
n12c(=O)c(=Cc3ccc(cc3)C(F)(F)F)sc1nc(C(CC)CC)n2	MCULE-4180007303	367.389	OMWYJIGMWQTFBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108505
n12c(=O)c(=Cc3ccccc3C(F)(F)F)sc1nc(C(CC)CC)n2	MCULE-4852356443	367.389	MDMNGNCHVUBQJM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108506
CC1CC(c2n1ncn2)NCC1CCN(CC1)S(=O)(=O)C(F)(F)F	MCULE-9759529009,EMOLS-id_258182289	367.39	GMWBMAAQLVNSAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108507
FC(C(N1CCNCC1)CNS(=O)(=O)c1cnc2n1CCC2)(F)F	PC-id_120876968,EMOLS-id_302850463,MCULE-4520088168	367.39	VYSQCFJXGRAPSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108508
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)Cc1ccc(cc1C)F	EMOLS-id_36592468,MCULE-5719029305,PC-id_56749895,ZINC22_67690305	367.392	AEEVKWWNRPHMBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108509
Fc1cc(ccc1OCC1CCOC1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	EMOLS-id_318368377	367.395	MAZMWWMBSOJSFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108510
Fc1cc(ccc1OCC1CCOC1)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_319253678	367.395	FTXRRZRMOKZVAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108511
O=C(CCCOc1cccc(F)c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_50570963,ZINC22_170609396,PC-id_99793826,MCULE-7884984743	367.395	ISDROZIOPMLQGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108512
Cc1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)ccc1F	EMOLS-id_324845302	367.397	ZMTUWHIMUCJRCI-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108513
Cc1ccc(OCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1	EMOLS-id_324869124	367.397	BPTLUIGJSKQUON-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108514
Cc1ccc(OCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324866055	367.397	WYAZKACVTQSBCW-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108515
Cc1ccc(OCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1	EMOLS-id_324868100	367.397	KVRFBKIEKUPDKI-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108516
Cc1ccc(O)c(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324838643	367.397	UIVUANHKRBNHJZ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108517
COc1ccccc1/C=c/1sc2nc(Cc3ccc(F)cc3)nn2c1=O	EMOLS-id_324835582	367.397	CJAWBISWDGUCHK-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108518
COc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324834045	367.397	FDSVRJSDRQTXAJ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108519
COc1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324836606	367.397	ODWOPCOEMQQXPJ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108520
Fc1ccccc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324846844	367.397	JMYLUHBNCNZCKU-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108521
Fc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324845820	367.397	SOTAPDNGZLRTOV-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108522
Fc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324847870	367.397	ADMYLVDSWKKSMJ-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108523
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CCOc1ccccc1	MCULE-6198249023	367.397	SOTAPDNGZLRTOV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108524
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCOc1ccccc1	MCULE-7248292654	367.397	JMYLUHBNCNZCKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108525
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1ccc(cc1)C	MCULE-3544532148	367.397	BPTLUIGJSKQUON-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108526
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)COc1ccc(cc1)C	MCULE-5364301687	367.397	KVRFBKIEKUPDKI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108527
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)Cc1ccc(F)cc1	MCULE-5910162134	367.397	CJAWBISWDGUCHK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108528
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)Cc1ccc(F)cc1	MCULE-6027710598	367.397	UIVUANHKRBNHJZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108529
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCOc1ccccc1	MCULE-7397070396	367.397	ADMYLVDSWKKSMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108530
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1ccc(cc1)C	MCULE-9395174091	367.397	WYAZKACVTQSBCW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108531
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)Cc1ccc(F)cc1	MCULE-4612503723	367.397	ODWOPCOEMQQXPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108532
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1ccccc1	MCULE-5549903784	367.397	ZMTUWHIMUCJRCI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108533
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)Cc1ccc(F)cc1	MCULE-9995376607	367.397	FDSVRJSDRQTXAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108534
O=C(c1sc2c(c1)N(CC2)C(=O)c1cccnc1)Nc1ccccc1F	PC-id_97524470	367.397	ABWPKQVNVBYLKJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-108535
COc1cccc(c1)C(=O)C/C(=N/c1sc2c(c1C#N)CCC2)/C(=O)[O-]	GD-id_ZINC49646351	367.398	VXYCEHCLJKANHK-QNGOZBTKSA-M	00000010100000110000000010000000000000000000000000000000	25-01-108536
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)F)[O-]	PC-id_134798738	367.399	KXTFRADCSDJUEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108537
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NCc1ccccc1F)[O-]	PC-id_134800351	367.399	AXOGIBJGKPPTEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108538
c1(cn2c(scc2)n1)C(=O)N1Cc2c(n(nc2)Cc2ccc(cc2)F)C1	MCULE-2954985082,EMOLS-id_44700203,PC-id_70709299,ZINC22_91849275	367.4	DDQJLEXNMCZBSS-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-108539
c1(sc2c(CCC2)c1C(=O)N)NS(=O)(=O)c1cccc(c1)N(=O)=O	MCULE-4388515815,PC-id_19203747	367.4	RVMZSJRFCNBGHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108540
CC(COC(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C	PC-id_69481202,SCHEMBL5541580	367.4	DYEOJZAAIBNYLS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108541
NC(=O)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	EMOLS-id_15248821,MCULE-2172533419,ZINC22_7716910,PC-id_8831612,CoCoCo_3541079	367.4	QQLKFBUTIJPETD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108542
O1C(CN2C[C@@H](N(CC2)C(=O)O)C(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635125	367.4	JVRJGWRRWQOQTG-ZVDHGWRTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108543
O1C(CN2C[C@H](N(CC2)C(=O)O)C(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635199	367.4	JVRJGWRRWQOQTG-CHPOKUKFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108544
O1C(CN2CC(N(CC2)C(=O)O)C(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635117	367.4	JVRJGWRRWQOQTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108545
O1C(CN2CCN(CC2)C(=O)OC(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL3466176,PC-id_23081080	367.4	HFYWLATZNRBBOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108546
O1[C@@](CN2CCN(CC2)C(=O)OC(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL6010591,PC-id_69635111	367.4	HFYWLATZNRBBOV-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108547
O1[C@](CN2CCN(CC2)C(=O)OC(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL6010660,PC-id_69635188	367.4	HFYWLATZNRBBOV-MRXNPFEDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108548
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	PC-id_8473899	367.4	SKZAFPAKTKVNTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108549
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c([N+](=O)[O-])cccc1	PC-id_8473922	367.4	XMZUEQSYMUFIOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108550
S(=O)(=O)(c1ccccc1N(=O)=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_19203657,MCULE-1335184090	367.4	PTIOIQSWJFBGKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108551
c1(C(=O)NCc2c3CCCc3[nH]n2)cc([nH]n1)COc1ccccc1OC	CoCoCo_1486202,CoCoCo_1486201,PC-id_42517447,CoCoCo_1486203,ZINC22_12304826,EMOLS-id_20645047,CoCoCo_1486200,MCULE-9351460779	367.402	NMRYLXCESNVFSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108552
Cc1noc(C)c1COc1ccccc1C(=O)NCc1nnc2n1CCC2	MCULE-5215275502,PC-id_40144022,ZINC22_32907435,CoCoCo_4663528,EMOLS-id_24057742	367.402	ZPJSHZJIUBWPEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108553
O(c1c(ccc(c1)C)C)Cc1onc(C(=O)NCc2n3CCCc3nn2)c1	PC-id_56758813	367.402	OHCQZKNRTPEDOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108554
O=C1N(CCC1)c1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)C)cc1	SCHEMBL2916001,PC-id_68439805	367.402	IACMWZHHXAPKCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108555
O=C(c1ccc(=O)n(n1)C)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109285	367.402	OLNFVXAKAIBICH-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-108556
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)C1CCCC1)NC(=O)c1ccccc1	SCHEMBL2917873,PC-id_68440450	367.402	UDAMKBPKVZBONO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108557
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cn1ncccc1=O	PC-id_92109497	367.402	YSXWPWCYPBMQGX-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-108558
O=C(NCCc1nnc2n1CCC2)c1ccc(CN2C(=O)CCC2=O)cc1	ZINC22_42502837,MCULE-3555266575,EMOLS-id_31935492,PC-id_51114973	367.402	MMCHRUFBHUFDKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108559
c1(c2ccccn2)noc(CCNC(=O)N(C)Cc2c3CCCc3[nH]n2)n1	MCULE-6934546171,PC-id_121497330,EMOLS-id_177382146,ZINC22_426406110	367.405	KXNCUGZASJJFII-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108560
Cc1nnc2CC(CNC(=O)CCCc3nc(no3)c3cccnc3)Cn12	MCULE-3294187497,PC-id_137341134,EMOLS-id_317467293	367.405	KMVWAXSWMWSBNO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108561
Cc1nnc2n1C[C@@H](CNC(=O)CCCc1nc(c3cccnc3)no1)C2	ZINC22_1772709463	367.405	KMVWAXSWMWSBNO-CYBMUJFWSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108562
Cc1nnc2n1C[C@H](CNC(=O)CCCc1nc(c3cccnc3)no1)C2	ZINC22_1772709468	367.405	KMVWAXSWMWSBNO-ZDUSSCGKSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108563
CCn1c(c2ccccc2)nn(CC(=O)NCc2nnc3n2CCC3)c1=O	PC-id_70734979,ZINC22_77385765,MCULE-7654888858,EMOLS-id_43572995	367.405	UEYWTTXAQZLBJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108564
CC(C)c1cc(NC(=O)NCc2nnc3n2CCC3)n(c2ncccn2)n1	MCULE-2275856202,PC-id_75510487,ZINC22_97164586,EMOLS-id_49324993	367.408	QSQWCOXYCMAKIG-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-108565
s1c2CCCc2cc1C(=O)NCCc1cc(OC)c(OC(F)F)cc1	PC-id_9482432	367.41	NNUPYBDDZZHUEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108566
COC(=O)c1c(NC(=O)COC(=O)CC2CCCO2)sc2c1CCC2	EMOLS-id_44530592,PC-id_71895571,MCULE-1274543690	367.417	MEPXXLFUOZGOOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108567
COC(=O)c1c(NC(=O)COC(=O)C[C@@H]2CCCO2)sc2c1CCC2	PC-id_94104213,ZINC22_46542561	367.417	MEPXXLFUOZGOOC-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-108568
COC(=O)c1c(NC(=O)COC(=O)C[C@H]2CCCO2)sc2c1CCC2	PC-id_94104215,ZINC22_46542563	367.417	MEPXXLFUOZGOOC-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108569
Fc1ccc(cc1)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109401	367.417	PXAKAJJGAYLJAM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-108570
O=C(c1ccc(c(c1)F)C)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109529	367.417	OCOMQLYRZXQPKY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-108571
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1ccccc1F	PC-id_92109484	367.417	KBODRXXGQSTKDP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-108572
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1OCCC1)C(=O)OCC	PC-id_78625191	367.417	DKNQGTKVYMNZHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108573
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)C)C(=O)OCC	PC-id_8613345	367.417	RMSKPEMUNSJNMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108574
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1OCCC1)C(=O)OCC	PC-id_8175540	367.417	DKNQGTKVYMNZHQ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-108575
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1OCCC1)C(=O)OCC	PC-id_8175541	367.417	DKNQGTKVYMNZHQ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108576
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1ccccc1	PC-id_42981626	367.418	QMBYIQMYHMWHDG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-108577
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)CCn1ccnc1CC	MCULE-2377235981,EMOLS-id_36607006,ZINC22_67895010,PC-id_56756051	367.42	OEQQPTVJWZERQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108578
C1Cc2c(C1)sc(c2C(=O)N)NCC(C=O)OC1CC(NC1)C(=O)O	SCHEMBL3710318,PC-id_87562194	367.42	VTOUYDPXZHBOGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108579
c1(cn(nc1C)CCC)C(=O)N1Cc2c(n(nc2)Cc2ccc(cc2)F)C1	EMOLS-id_36576912,ZINC22_67688502,PC-id_56743560,MCULE-6790789116	367.42	FKZHJWKCNYQPQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108580
c1(NC(=O)C(=O)NCCN2CCOCC2)sc2c(CCC2)c1C(=O)O	PC-id_8035185,EMOLS-id_4738684,ZINC22_6670046,MCULE-9989046831,STOCK6S-09343	367.42	BRCUSXLARFNSGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108581
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N1CCN(CC1)C(=O)OCC	MCULE-7239309533,ZINC22_6760194,CoCoCo_1114096,STOCK6S-17119,PC-id_8072536,EMOLS-id_4750472	367.42	ISABKFMPZCTOGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108582
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)OC1CNC(C1)C(=O)O	PC-id_46893541,SCHEMBL3397466	367.42	SEBNASQBPZPSDG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108583
c12c(CCC1C(=O)NCc1ccco1)sc(NC(=O)c1ccccc1)n2	EMOLS-id_12346189,PC-id_16947064,MCULE-7458660743	367.422	SPQAEERYAWDNBO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-108584
c1(c2CCCc2sc1NC(=O)c1cc(on1)C)C(=O)Nc1ccccc1	TIMTEC186393,PC-id_17173695,ZINC22_13329140,EMOLS-id_13330180,CoCoCo_1068872,MCULE-5720047630	367.422	HBWKCOPAAQVAIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108585
c1(NC(=O)c2ccccn2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8555554981,EMOLS-id_334343587	367.422	ITUMYJCGWLLHNZ-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-108586
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_13329135,CoCoCo_1071165,MCULE-9709278213,EMOLS-id_13330822,TIMTEC265322,PC-id_17173898	367.422	KLOCNZYFGOEHQA-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-108587
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-1505554012,ZINC22_4865838,PC-id_2992615,TIMTEC162350,EMOLS-id_2532922,CoCoCo_1024781	367.422	GAUOWTZNPHPQCZ-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-108588
c1(NC(=O)c2ccncc2)sc2c(CCC2)c1C(=O)NCc1ccco1	TIMTEC248747,PC-id_17174015,MCULE-1523472045,CoCoCo_1072455,ZINC22_13329185,EMOLS-id_13331186	367.422	JTHCHIJPYWIGCU-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-108589
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCC2)c1C(=O)N	ZINC22_2657465,CoCoCo_1073942,EMOLS-id_10662673,BindingDB_PC-id_2121217,MCULE-4758181533,TIMTEC437197,PC-id_2121217,BindingDB-id_118492	367.422	RVOPBSQZSJLXTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108590
c1(NC(=O)C(=Cc2ccc(cc2)OC)C#N)sc2c(CCC2)c1C(=O)N	MCULE-8994756807,PC-id_1182552	367.422	WNTHNHKOFQASAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108591
c1(NC(=O)C(=Cc2ccccc2OC)C#N)sc2c(CCC2)c1C(=O)N	PC-id_73552313,MCULE-4643104889	367.422	PRJZIHBFPPVGCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108592
c1(sc2c(CCC2)n1)NC(=O)c1cc(O)c(cn1)OCc1ccccc1	ZINC22_61719123,EMOLS-id_36742273,EMOLS-id_35785677,STOCK7S-13412,PC-id_52899417,MCULE-7922660563	367.422	KIHGQUFOMMXMFF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-108593
Cc1oc(c2ccccc2C(=O)N)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1822112,PC-id_56665243	367.422	AZMVRNPAAWNOGO-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108594
COc1ccc(cc1)/C=C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)/C#N	STOCK2S-64747,CoCoCo_1744419,EMOLS-id_26280866	367.422	WNTHNHKOFQASAZ-XFXZXTDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108595
COc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C(=O)N)cc1	ChemDIV3453-1725,EMOLS-id_27010960,CoCoCo_1744418,PC-id_1182551,SPECS-id_AS-871/40520133	367.422	WNTHNHKOFQASAZ-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108596
O=C(c1sc2c(c1)CCC2)NNC(=O)c1c(C)onc1c1ccccc1	MCULE-8029746483,PC-id_24487354,EMOLS-id_19677363,CoCoCo_3870368	367.422	KRVAHMSAWQCNRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108597
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccco1)c1ccccc1	PC-id_40945176,ZINC22_9131219,CoCoCo_5124695	367.422	SPQAEERYAWDNBO-AWEZNQCLSA-N	00000010101000110001000010000000000000000000000000000000	25-01-108598
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccco1)c1ccccc1	ZINC22_9131220,CoCoCo_5124694,PC-id_40945177	367.422	SPQAEERYAWDNBO-CQSZACIVSA-N	00000010101000110001000010000000000000000000000000000000	25-01-108599
s1c2CCCc2cc1C(=O)NNC(=O)c1onc(c2ccc(cc2)C)c1	PC-id_38427379	367.422	WGLGLIKKBCOIHG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108600
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1c(OC)cccc1)/C#N)C(=O)N	PC-id_19175687	367.422	PRJZIHBFPPVGCO-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108601
s1c2CCCc2nc1NC(=O)c1cc(NC(=O)c2occc2)c(cc1)C	PC-id_33039742	367.422	ARJQYYCLKFIBPE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-108602
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1c2c(nn1C)CCC2	ZINC22_95959006,MCULE-6755558061,PC-id_75420637,EMOLS-id_48786376	367.423	LYOGMDUCDVHXKI-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-108603
CC(c1onc(n1)C1COCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100240219	367.423	AZRKDTDKMAQCFS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108604
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cscn2)n1	EMOLS-id_316330294,MCULE-3643842471	367.425	QRZAWYIMMCPSCW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108605
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cccs1	MCULE-1351188668,EMOLS-id_316319039	367.425	ZBTPJKIXTHMPES-ZDUSSCGKSA-N	00000010100100101001000010000000000000000000000000000000	25-01-108606
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1ccsc1	MCULE-2823519581,EMOLS-id_316324145	367.425	CMVNSMIIFRPYGP-AWEZNQCLSA-N	00000010100100101001000010000000000000000000000000000000	25-01-108607
c1(NC(=O)Cn2c(=O)ccc(c3ccccc3)n2)n(C)nc2CSCc12	ZINC22_61718466,EMOLS-id_35784376,MCULE-9733879552,STOCK7S-12630,PC-id_52898651	367.425	DRNUJCLVHFNTIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108608
Cc1cccc(c1)c1ncc(c(n1)O)C(=O)NCc1cn2c(n1)SCC2	EMOLS-id_44446485,PC-id_70770519,MCULE-3665323787	367.425	GOTNCZHNCKMSCP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108609
n1c2CCCc2sc1CCNc1nccc(c2nccc(c2)C(=O)O)n1	EMOLS-id_43585823,ZINC22_77452255,MCULE-2664029181,PC-id_70755706	367.425	BHTMGDSSZYHKRK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108610
Nc1nc(COC(=O)c2cc3c(s2)CCC3)nc(Nc2ccccc2)n1	CoCoCo_3969055,MCULE-5966101695,PC-id_40556564,EMOLS-id_24979641,ZINC22_5702305	367.425	YJSQLYGKWQJPRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108611
O=C(c1cnn2c1CC(C2)NC(=O)c1cccs1)NCc1cccnc1	MCULE-1672565923	367.425	ZBTPJKIXTHMPES-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-108612
O=C(c1cnn2c1CC(C2)NC(=O)c1cscc1)NCc1cccnc1	MCULE-2760542467	367.425	CMVNSMIIFRPYGP-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-108613
O=C(c1nn2c(c1)CC(C2)NC(=O)c1cscn1)NCc1ccccc1	MCULE-9803008571	367.425	QRZAWYIMMCPSCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108614
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1cccs1)NCc1ccccc1	SCHEMBL2915679,PC-id_68439703	367.425	JEKBSMXTRIXNIE-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108615
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccsc1)NCc1ccccc1	SCHEMBL2918230,PC-id_68440560	367.425	BGWZNQPDNSFWNF-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108616
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)Cc1cccs1	SCHEMBL2923494,PC-id_68442428	367.425	GTICMZZKPHKLBR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108617
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)Cc1cscc1	SCHEMBL2915986,PC-id_68439799	367.425	YDYRLTLXKWPVKX-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-108618
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(Cn2ncnc2)cc1	PC-id_24617118	367.425	NMWFBCWAHHCHFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108619
S1c2n(CC1)cc(n2)CNC(=O)C1C(=O)N=C(N=C1)c1cc(ccc1)C	PC-id_78086621	367.425	GPRUVCLUIGCSRI-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-108620
COCCCOC(=O)n1cc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)N	SCHEMBL19200992	367.44	AXPJKVDHMKSBSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108621
COC(=O)c1c(NS(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_59456193	367.44	GZVAFSLKOXZTJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108622
s1c2CCCc2cc1C(=O)NS(=O)(=O)c1cc(OC)c(OC)cc1	PC-id_56827916	367.44	WYSRKVYHWKHOII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108623
s1c2CCCc2cc1C(=O)OCCOc1ccc(S(=O)(=O)N)cc1	PC-id_46606741	367.44	FBYXAFBBGYHSOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108624
O=C1N(Cc2[nH]c(c(c12)C)C(=O)Nc1c(ccc(c1)C(=O)CCC)C)CC	PC-id_58328295	367.441	ZVWRODSIVWYLNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108625
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)OCCN1CCNCC1	PC-id_101838940	367.441	YFEZDTDMYNJRSE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108626
O(/N=C
/C(Cn2c1ccc2)CN(c1ccc(cc1)C)C(=O)CC)C(=O)CC	PC-id_56689891	367.441	CRDYEJZOLVFMDT-DQRAZIAOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108627
O(N=C1C(Cn2c1ccc2)CN(c1ccc(cc1)C)C(=O)CC)C(=O)CC	PC-id_76395457	367.441	CRDYEJZOLVFMDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108628
CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2c1CCC2	PC-id_137629458,CHEMBL567099,SCHEMBL3924122	367.443	KIHMRMUMZYKJET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108629
O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)Nc1onc2c1CCC2	CoCoCo_5123861,PC-id_40894074	367.443	KGEZWLBZKMKIPE-GFCCVEGCSA-N	00000010100100000001000010000000000000000000000000000000	25-01-108630
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)Nc1onc2c1CCC2	PC-id_40894075,CoCoCo_5123860	367.443	KGEZWLBZKMKIPE-LBPRGKRZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-108631
s1c2c(CCC2)c(c1NC(=O)C(=O)N1CC[NH+](CC1)CCO)C(=O)N	PC-id_8057075	367.443	XPWCLIJAVSXIIE-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108632
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC[NH+]1CCOCC1)C(=O)N	PC-id_8070886	367.443	ZBGJOTFNPBCMAC-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108633
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)N(OC)C)cc1	PC-id_26723413	367.443	PEARTGFAIXLQON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108634
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cc2n(C1)cc[n+]2C)C(=O)[O-]	PC-id_14124243	367.443	IGYPGUHOCMMQAC-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-108635
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)C)C(=O)[O-]	PC-id_14124285	367.443	VHHUUOXDZGJBJS-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-108636
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(C1)c[n+](c2)C)C(=O)[O-]	PC-id_14124248	367.443	SLPQFVJNXWVZTO-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-108637
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1Cc2n(C1)cc[n+]2C)C(=O)[O-]	PC-id_10429046	367.443	IGYPGUHOCMMQAC-HNQVOLOISA-N	00001011100000000001001010000000000000000000000000000000	25-01-108638
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)C)C(=O)[O-]	PC-id_10338968	367.443	VHHUUOXDZGJBJS-SQFXPHBZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-108639
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)C)C(=O)[O-]	PC-id_10361615	367.443	VHHUUOXDZGJBJS-ZRPKBAQZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-108640
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1Cn2c(C1)c[n+](c2)C)C(=O)[O-]	PC-id_10474141	367.443	SLPQFVJNXWVZTO-ZRPKBAQZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-108641
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1Cn2c(C1)c[n+](c2)C)C(=O)[O-]	PC-id_9999051	367.443	SLPQFVJNXWVZTO-SQFXPHBZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-108642
S(=O)(=O)(N1C(CCC1)C(=O)Nc1onc2c1CCC2)c1sccc1	PC-id_16828680	367.443	KGEZWLBZKMKIPE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-108643
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)C1CCCCC1	EMOLS-id_168604200,MCULE-6401459835	367.445	FGVLYSQXEALBLN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-108644
c1(CN(C)C(=O)C2CCN(CC2)C(=O)c2ccccn2)c2CCCc2[nH]n1	PC-id_118787806,ZINC22_299801007,EMOLS-id_68925652,MCULE-7969152938	367.445	XTADRVBDJXFQBG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-108645
c1(CN(C)C(=O)Nc2ccc(c(C)c2)N2CCCC2=O)c2CCCc2[nH]n1	EMOLS-id_49160848,MCULE-3338902660,ZINC22_96150231,PC-id_72890345	367.445	CKLNVLHDHDKAEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108646
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)NC3CCCC3)Cc12	EMOLS-id_316321082,MCULE-2620784199	367.445	CIMJRIPADSWWPT-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108647
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)NC3CCCC3)Cc12	MCULE-5365164458	367.445	CIMJRIPADSWWPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108648
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)C1CCCCC1	EMOLS-id_316321087,MCULE-5130875032	367.445	RJCLSKILMKHWJS-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-108649
c1(NC(=O)c2ccc(cc2)Oc2sccn2)sc2CCCc2c1C#N	MCULE-1700448253,ZINC22_225637778,EMOLS-id_53856617,PC-id_91813757	367.445	ZMHUORTUCVPKPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108650
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3nnc4n3CCC4)C2)cc1	PC-id_32402090,ZINC22_25091576	367.445	PQWVDPSHCGRPJO-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108651
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3nnc4n3CCC4)C2)cc1	PC-id_32402095,ZINC22_25091580	367.445	PQWVDPSHCGRPJO-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108652
CC1CCCN(C1)c1ccc(cc1C(=O)N)NC(=O)c1n[nH]c2c1CCC2	ASN-20315339	367.445	JHLCXVGOPHUDJB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108653
CC1CCN(CC1)C(=O)c1ccc(c(c1)C)NC(=O)N1CCn2c1ncc2	EMOLS-id_320198420,MCULE-4170994984	367.445	KMWXQFMNGJETED-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108654
Cc1nn(c(c1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C)C	PC-id_92109551	367.445	MEOWAOGMXVTCOI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-108655
CC(C)c1ccc(cc1)N1CC(CC1=O)C(=O)NCc1nnc2CCCn12	EMOLS-id_232895080,MCULE-7398472477	367.445	QLJSSRZBWINZSE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108656
CC(C)c1ccc(N2C[C@@H](C(=O)NCc3nnc4n3CCC4)CC2=O)cc1	ZINC22_827696712	367.445	QLJSSRZBWINZSE-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108657
CC(C)c1ccc(N2C[C@H](C(=O)NCc3nnc4n3CCC4)CC2=O)cc1	ZINC22_827696713	367.445	QLJSSRZBWINZSE-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108658
CC(=O)N1CCN(CC1)Cc1ccccc1NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_101034328	367.445	BRCFQCOBNCAWOD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108659
CC(=O)N1CCN(CC1)Cc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98934149	367.445	BTOZFFPIGDRYES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108660
COc1ccccc1/C=c/1sc2nc(/C=C/c3cccs3)nn2c1=O	EMOLS-id_45970246,ZINC22_27021918	367.445	OUPYEFJWAJONFR-NOCYUORASA-N	00000000100100110001000010000000000000000000000000000000	25-01-108661
COc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	EMOLS-id_45970242,ZINC22_27021908	367.445	QHQNGCCHBDYLID-NOCYUORASA-N	00000000100100110001000010000000000000000000000000000000	25-01-108662
COc1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_16807445	367.445	QHQNGCCHBDYLID-QCTDOKRBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-108663
COc1cccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)c1	EMOLS-id_45970244,ZINC22_27021913	367.445	SRXHQLHPSZQQLO-URQCCFOISA-N	00000000100100110001000010000000000000000000000000000000	25-01-108664
COc1cccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)c1	ZINC22_16779426	367.445	SRXHQLHPSZQQLO-XHBXSBNISA-N	00000000100100110001000010000000000000000000000000000000	25-01-108665
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)C=Cc1cccs1	MCULE-4011486966	367.445	QHQNGCCHBDYLID-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-108666
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)C=Cc1cccs1	MCULE-4924187393	367.445	OUPYEFJWAJONFR-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-108667
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)C=Cc1cccs1	MCULE-8065019743	367.445	SRXHQLHPSZQQLO-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-108668
n12nc(nc1sc(=Cc1cccs1)c2=O)C=Cc1ccc(cc1)OC	MCULE-9070222551	367.445	JUGKOZVJXQLHRC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-108669
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4n(n3)CCC4)cc2)C1	ZINC22_822660284	367.445	LTIHEGFNVUWSAW-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108670
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4n(n3)CCC4)cc2)C1	ZINC22_822660285	367.445	LTIHEGFNVUWSAW-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108671
O=C(C1CCCCC1)NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1	MCULE-1140353879	367.445	RJCLSKILMKHWJS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-108672
O=C(C1CCCN(C1)C(=O)c1ccc(cc1)C)NCc1nnc2n1CCC2	EMOLS-id_31904112,MCULE-8197485257,PC-id_47027161	367.445	PQWVDPSHCGRPJO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108673
O=C(c1n[nH]c2c1CCC2)N1CCC(C1)Oc1cccnc1N1CCCC1	MCULE-1352274251,EMOLS-id_316073715	367.445	SIBCQAAVEZEAAE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108674
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](Oc2cccnc2N2CCCC2)C1	ZINC22_275712183	367.445	SIBCQAAVEZEAAE-AWEZNQCLSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108675
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1	ZINC22_275712187	367.445	SIBCQAAVEZEAAE-CQSZACIVSA-N	00000010100000101001100010000000000000000000000000000000	25-01-108676
O=C(C(c1ccc(cc1)N1CCCC1)C)Nc1n[nH]c2c1CN(C2)C(=O)C	SCHEMBL2918238,PC-id_68440563	367.445	UVNPAGGGRNEDEY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108677
O=C(N(Cc1ccccc1)C)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98114462	367.445	ZAJBNYXGYOYWRM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108678
c1(NC(=O)CSc2nncn2N)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_50061412,MCULE-7203538698,PC-id_31652634	367.446	MEEVRSBNLRBPRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108679
c1(NC(=O)CSc2nnnn2C)sc2c(CCC2)c1C(=O)OCC	ZINC22_3577998,CoCoCo_6858595,PC-id_2694726,EMOLS-id_5115271,MCULE-4862278425	367.446	KYBCCSBMQOROJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108680
O=C(N1CCn2c1ncc2)c1[nH]cc(c1)S(=O)(=O)N1CCSCC1	EMOLS-id_316584896	367.446	SDRSVAMOXPKJGI-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-108681
O=C(Nc1sc2c(n1)CCC2)COc1nsnc1N1CCOCC1	EMOLS-id_319496169	367.446	GKTQOHDZYKGCEP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108682
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)N)C(=O)OCC	PC-id_2694720	367.446	MIRKZPRAOLUYFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108683
c1(NC(=O)c2c(C)nc(c3cnccn3)s2)sc2c(CCC2)c1C#N	MCULE-6627887528,EMOLS-id_322837177	367.448	POFUZYYFEOSBPB-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-108684
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)N1CCCC1=O	PC-id_111020427	367.448	NTELPOUULJEILM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108685
Cc1nnc2n1N=C(C2=NNc1c(c(nn1C)C(C)(C)C)C#N)C(C)(C)C	PC-id_89280930	367.451	ALHFUDPHZSTUJI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-108686
n12N=C(C(C)(C)C)/C(=N/Nc3n(nc(C(C)(C)C)c3[N+]#[C-])C)/c1nnc2C	PC-id_59702848	367.451	ZWFOZNPAANEWAF-MTJSOVHGSA-N	00000011100000000001000010000000000000000000000000000000	25-01-108687
n12N=C(C(C)(C)C)C(=NNc3n(nc(C(C)(C)C)c3[N+]#[C-])C)c1nnc2C	PC-id_72362408	367.451	ZWFOZNPAANEWAF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-108688
CCOC(=O)c1c(NC(=O)CCCCCCC(=O)O)sc2CCCc12	EMOLS-id_328169183,MCULE-4628859271	367.46	CAXMTWAVXLGBMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108689
Fc1ccc(cc1)CNC(=O)c1sc2c(c1)C[N@@H+](C2)Cc1ccccc1	GD-id_ZINC03030130,PC-id_3703373	367.46	HGAZWOXIHLODKH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-108690
O=C(c1sc2c(c1)CCC2)OCC1OCCN(C1)C(=O)OC(C)(C)C	PC-id_75456231,EMOLS-id_48833074,MCULE-9710840826	367.46	HIGCNSOTXOISLP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108691
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(C)C)C(=O)OCC	PC-id_7847997	367.46	VYAOQAFYGPQVLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108692
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC(C)(C)C)C(=O)OCC	PC-id_7950656	367.46	YVASIZXIVPSRPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108693
COC(=O)C1Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)NC(C)(C)C	SCHEMBL9458928,PC-id_19759914	367.461	CGOIDGRHFRWKNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108694
N#CCCCCOC(=O)C1CCc2c1sc(c2C(=O)c1ccccc1)C	PC-id_142631172	367.461	JHTVFOANMCCERQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108695
OC(=O)C1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)NC(C)(C)C	SCHEMBL9459359,PC-id_19759894	367.461	QTJUHIGZKMKQGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108696
c1(NC(=O)CCNC(=O)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9686683626,EMOLS-id_334392850	367.463	KZDXMMAPOYCTSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108697
c1(sc2c(CCC2)c1C(=O)OCC)NC(=O)N1CCN(CC1)CCO	PC-id_8035080,EMOLS-id_4738398,CHEMBL4475289,STOCK6S-09163,ZINC22_20573457,MCULE-9461022158	367.463	BBINVMJRNLNOCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108698
CC(C)CC(=O)N[C@H](C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)O)C(C)C	ZINC22_1875346315	367.463	ZWWJYBZMEGNWLS-GWCFXTLKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108699
CC(C)CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)O)C(C)C	ZINC22_1875346316	367.463	ZWWJYBZMEGNWLS-GXFFZTMASA-N	00000010100000000001000010000000000000000000000000000000	25-01-108700
CC(C)CC(=O)N[C@H](C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)O)C(C)C	ZINC22_1875346317	367.463	ZWWJYBZMEGNWLS-MFKMUULPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108701
CC(C)CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)O)C(C)C	ZINC22_1875346318	367.463	ZWWJYBZMEGNWLS-ZWNOBZJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108702
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1cscc1)C(=O)O	PC-id_57791601,SCHEMBL8031203	367.463	ZRKXIBNSUPOLFT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-108703
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)C)C)C(=O)OC	PC-id_27651477	367.463	LCIGFEGKAMINRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108704
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N(C)C)C)C(=O)OCC	PC-id_8712189	367.463	ONVWCEPJAPSHMC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108705
c12SCCn1cc(CNC(=O)CCc1ccc(c3ccc(cc3)C)o1)n2	PC-id_119067772,MCULE-1562075727,EMOLS-id_82724423,ZINC22_426535201	367.465	QDJCEEXLKMNEOG-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108706
c1(CN(Cc2ccco2)C(=O)C=Cc2cccs2)c2CCCc2n(C)n1	PC-id_86266511,MCULE-6323795376	367.465	PKTAZPPERWSEQR-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-108707
CC(C)(C)c1nc(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)no1	EMOLS-id_45643351,MCULE-6986242886,ZINC22_65882767,PC-id_71936260	367.465	BFAFXCOUOGJNFN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108708
Cn1nc(CN(Cc2ccco2)C(=O)/C=C/c2cccs2)c2CCCc12	EMOLS-id_50145198	367.465	PKTAZPPERWSEQR-MDZDMXLPSA-N	00000010101100000001000010000000000000000000000000000000	25-01-108709
COc1ccc(cc1)C(c1nccn1C)NC(=O)c1sc2c(c1)CCC2	PC-id_42924357,EMOLS-id_24966457,MCULE-4172796834	367.465	MVEFGWUWFNHUDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108710
COc1ccc([C@@H](NC(=O)c2cc3c(s2)CCC3)c2nccn2C)cc1	PC-id_27149799,ZINC22_16473429,CoCoCo_4358366	367.465	MVEFGWUWFNHUDW-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108711
COc1ccc([C@H](NC(=O)c2cc3c(s2)CCC3)c2nccn2C)cc1	PC-id_27149800,CoCoCo_4358367,ZINC22_16473431	367.465	MVEFGWUWFNHUDW-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108712
O=C(CCc1ccc(c2ccccc2)o1)NCCc1cn2c(n1)SCC2	ZINC22_466350533	367.465	TXCANOCGPLMPIK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-108713
s1c2CCCc2cc1C(=O)NC(c1n(ccn1)C)c1c(OC)cccc1	PC-id_51269462	367.465	UHOSVAZOOWCSFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108714
s1c2CCCc2cc1C(=O)N[C@@H](c1n(ccn1)C)c1c(OC)cccc1	PC-id_52535424	367.465	UHOSVAZOOWCSFG-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108715
s1c2CCCc2cc1C(=O)N[C@H](c1n(ccn1)C)c1c(OC)cccc1	PC-id_52535425	367.465	UHOSVAZOOWCSFG-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108716
s1c2CCCc2cc1C(=O)NN=C(c1ccc(N2CCCC2=O)cc1)C	PC-id_84889476	367.465	FVPICSDIKWQIGT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-108717
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(N2CCCC2=O)cc1)/C	PC-id_8979962	367.465	FVPICSDIKWQIGT-BKUYFWCQSA-N	00000010100000110000100010000000000000000000000000000000	25-01-108718
s1c2CCCc2cc1C(=O)NN=Cc1c(n(c(c1)C)Cc1occc1)C	PC-id_85015442	367.465	KYPMYCQNZRNWGX-UHFFFAOYSA-N	00000010111000000000000010000000000000000000000000000000	25-01-108719
CCOC(=O)c1c(NC(=O)C(N)CCCNC(=N)N)sc2CCCc12	EMOLS-id_328097046,MCULE-8137575854	367.466	GWSIMFAGSUQWJP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108720
CN1CCCC1C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100243069	367.466	BDFWEZITQYAODU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108721
O=C(N1CC(C1)S(=O)(=O)NC(c1nnc2n1CCC2)C)C1CCCC1	EMOLS-id_99227158	367.466	KNJSTMPWDCOCCV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-108722
O=C(N1CCCC1)N1CCCC(C1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98583925	367.466	POSHJRZQOMHVOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108723
O=C(N1CCNCC1)C1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	PC-id_121699780,MCULE-1922596599,EMOLS-id_303037268	367.466	SXYNNGSKFJXMQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108724
c1(c2ccc(cc2)C(=O)NCCc2sc3c(CCC3)n2)n(C)nc(C)n1	EMOLS-id_177481085,ZINC22_584900151,MCULE-8886552356	367.468	VEIOFRDHOPFQPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108725
c1(CN(C)C(=O)Nc2cccc(c2)c2csc(C)n2)c2CCCc2[nH]n1	MCULE-1811740247,EMOLS-id_49173032,PC-id_72923986,ZINC22_96164657	367.468	AQPNOFQSDUVJJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108726
c1(NC(=O)C2CCN(CC2)c2nccc(C)n2)sc2c(CCC2)c1C#N	EMOLS-id_322838199,MCULE-3200392475	367.468	QRZUZWIUOUXZGT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-108727
c1(NC(=O)C2CCN(CC2)c2ncnc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_322821676,MCULE-3541491279	367.468	JYHLTMKIHQZOPF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-108728
c1(NC(=O)Cc2c(C)nn(c3ccccc3)c2C)n(C)nc2CSCc12	EMOLS-id_316274737,ZINC22_1506415141,MCULE-8359295570	367.468	MDJNXQKFGZGFKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108729
Cc1ccc(c2nc(C)c(C(=O)NCc3nnc4n3CCC4)s2)c(C)c1	MCULE-8651215796,ZINC22_58218109,PC-id_51128190,EMOLS-id_32128609	367.468	JGYLSGDEVHRTCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108730
Cc1nn(c2ccccc2)c(C)c1CC(=O)NCc1cn2c(n1)SCC2	PC-id_56891257,EMOLS-id_43094753,MCULE-2125512646,ZINC22_72143860	367.468	NWQLSHSRBZXKFQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108731
CC(C)c1ccc(c2nc(C(=O)N[C@H]3C[C@@H](C)n4ncnc34)cs2)cc1	ZINC22_617429938	367.468	JHMXVEDEARCBRM-DOMZBBRYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108732
CC(C)c1ccc(c2nc(C(=O)N[C@@H]3C[C@@H](C)n4ncnc34)cs2)cc1	ZINC22_617429939	367.468	JHMXVEDEARCBRM-IUODEOHRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108733
CC(C)c1ccc(c2nc(C(=O)N[C@@H]3C[C@H](C)n4ncnc34)cs2)cc1	ZINC22_617429940	367.468	JHMXVEDEARCBRM-SWLSCSKDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108734
CC(C)c1ccc(c2nc(C(=O)N[C@H]3C[C@H](C)n4ncnc34)cs2)cc1	ZINC22_617429941	367.468	JHMXVEDEARCBRM-WFASDCNBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108735
N#Cc1c(NC(=O)CN2CCN(c3ccccn3)CC2)sc2c1CCC2	ZINC22_39440616,EMOLS-id_3436191,CoCoCo_3571796,CoCoCo_3571795,MCULE-5488307998,PC-id_4287117	367.468	JBZHCYPJWTWRHC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-108736
O=C(Nc1n(C)nc2c1CCC2)CSc1nccn1Cc1ccccc1	MCULE-3845671180,EMOLS-id_258067813	367.468	SOWAVGSHTJRJBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108737
CCCc1cc2n(c1C(=O)c1ccc(cc1)CC)CCC2C(=O)OC(C)C	PC-id_20351628,SCHEMBL11602231	367.481	YRKRUEGSJNZMLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108738
CCCc1ccccc1C(=O)c1ccc2n1CCC2C(=O)OCCC(C)C	PC-id_20351617,SCHEMBL11603024	367.481	NVKNEUQIXFOLBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108739
CCCCc1cccc(c1)C(=O)c1c(C)cc2n1CCC2C(=O)OC(C)C	SCHEMBL11604222,PC-id_20351610	367.481	DBVVDYGWCWEJAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108740
CCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)CC	PC-id_20351572,SCHEMBL11606803	367.481	VJBUTXZFZVNTQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108741
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCCCCCCC	PC-id_72821058	367.481	LTMJSCIFRNXXCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108742
O(C(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1)CCCCCCCC	PC-id_11372058	367.481	LTMJSCIFRNXXCG-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108743
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CC1CCS(=O)(=O)C1	EMOLS-id_101172366	367.483	JHPVTWAENAZLJV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-108744
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@@H](C1)C)C)C(=O)OCC	PC-id_2457627	367.483	ZBMYPHFFPAHELR-TXEJJXNPSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108745
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@@H](C1)C)C)C(=O)OCC	PC-id_2457629	367.483	ZBMYPHFFPAHELR-VXGBXAGGSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108746
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@H](C1)C)C)C(=O)OCC	PC-id_2457632	367.483	ZBMYPHFFPAHELR-RYUDHWBXSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108747
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(OC(C1)C)C)C(=O)OCC	PC-id_78274596	367.483	ZBMYPHFFPAHELR-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108748
c1(CN(C2CCCC2)C(=O)C(C)Oc2ccccc2)c2CCCc2n(C)n1	EMOLS-id_50145316,MCULE-2656578303,PC-id_86266574	367.485	FBPDPBSMVLOCAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108749
c1(C(=O)NCCC2(CCOC(C)(C)C2)c2ccccc2)c2CCCc2[nH]n1	PC-id_77089321,MCULE-1258941591,EMOLS-id_49885187	367.485	FQLLCHORMOHNMJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108750
Cc1cccc(c1)OCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109804	367.485	UXEXKIVMRNPEDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108751
Cc1ccc(cc1)OCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109805	367.485	QTZJFGSLDOBOQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108752
CC1(C)C[C@@](CCNC(=O)c2n[nH]c3c2CCC3)(c2ccccc2)CCO1	PC-id_99937692,ZINC22_215824513	367.485	FQLLCHORMOHNMJ-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108753
CC1(C)C[C@](CCNC(=O)c2n[nH]c3c2CCC3)(c2ccccc2)CCO1	ZINC22_215824559,PC-id_99937693	367.485	FQLLCHORMOHNMJ-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108754
CCOc1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109759	367.485	FZDMPGAXMZTZNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108755
CCOc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109760	367.485	BLVXGCLEZBKSNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108756
COc1ccc(cc1)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109810	367.485	WYZPUEYVJRTXMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108757
COc1cccc(c1)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109857	367.485	KVXLSTMNEUSNAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108758
COc1ccccc1CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109907	367.485	ARPRIBNFKDREAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108759
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCN1CCOCC1	EMOLS-id_328212852,MCULE-9793153002	367.485	BZIVXIPEDNGQGM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108760
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)[C@@H](Oc1ccccc1)C	PC-id_99996323	367.485	FBPDPBSMVLOCAZ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108761
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)[C@H](Oc1ccccc1)C	PC-id_99996326	367.485	FBPDPBSMVLOCAZ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108762
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)COc1ccccc1C	PC-id_92109803	367.485	CDYHJKJNYXWETI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108763
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)COCc1ccccc1	PC-id_92109955	367.485	QENXRSHREOEMLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108764
c1(NC(=O)C2CCCN(C2)S(=O)(=O)CC)sc2c(CCC2)c1C#N	PC-id_6472654,EMOLS-id_2552267,MCULE-1473285762	367.486	RTLNUESAKDOTND-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108765
c1(NC(=O)C2CCN(CC2)S(=O)(=O)CC)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBL9062285,CoCoCo_1056965,MCULE-2312728732,PC-id_6472218,ZINC22_6744447,EMOLS-id_2551542	367.486	LXDZAGJBZFGVGN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108766
Brc1cc(CNCc2sc3c(CCC3)c2)cc(OC)c1O	PC-id_61206637	368.289	CLSMEQNSVNZGBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108954
c1(NC(=O)CS(=O)CC(=O)NCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320678761,MCULE-2895842425	367.486	XTEBZFJPVNEUKR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108767
c1(NC(=O)CS(=O)CC(=O)NC(C)CC)sc2c(CCC2)c1C#N	MCULE-6710705774,EMOLS-id_320679273	367.486	GKGJERWVIKBKJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108768
c1(NC(=O)CS(=O)CC(=O)NCC(C)C)sc2c(CCC2)c1C#N	MCULE-7016025151,EMOLS-id_320639230	367.486	ZOJQZMCDUORRCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108769
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCC(=O)NC(C)C	EMOLS-id_186659674,MCULE-1823663800	367.486	YJQCNMXYEAYEKZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108770
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCN1CCOCC1	EMOLS-id_186643308,MCULE-6771205293	367.486	ALEUCFVJQLXMDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108771
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CC(=O)N(CC)CC	MCULE-1804369412,EMOLS-id_186583118	367.486	CBRIHKTYVNCWEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108772
CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1	CoCoCo_1057715,PC-id_8068465,ZINC22_6746356	367.486	RTLNUESAKDOTND-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108773
CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1	PC-id_8068464,CoCoCo_1057714,ZINC22_6746354	367.486	RTLNUESAKDOTND-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-108774
N#Cc1c(NC(=O)C(N2CCCS(=O)(=O)CC2)C)sc2c1CCC2	EMOLS-id_98928487	367.486	ONERCBBZYYNBQT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-108775
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](CC(=O)NC(C)C)C)C)C(=O)N	PC-id_26374184	367.486	LRQONIABZYROGC-JTQLQIEISA-O	00000010100000000000000010000000000000000000000000000000	25-01-108776
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](CC(=O)NC(C)C)C)C)C(=O)N	PC-id_26374187	367.486	LRQONIABZYROGC-SNVBAGLBSA-O	00000010100000000000000010000000000000000000000000000000	25-01-108777
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CCCN1CCOCC1)C(=O)N	PC-id_32558876	367.486	SGUWHMRGWRRQDI-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-108778
s1c2c(CCC2)c(c1NC(=O)C([NH+](CC(=O)NC(C)C)C)C)C(=O)N	PC-id_74502818	367.486	LRQONIABZYROGC-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-108779
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N(CC)CC)C)C(=O)N	PC-id_8692426	367.486	DVCBXWWECBKDQX-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-108780
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)C)C(=O)N	PC-id_8766929	367.486	PMYGDMOJJHCZIS-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-108781
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)CC)C(=O)N	PC-id_8907501	367.486	GBMZZXBEJATSFB-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-108782
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(cc(OC)c(c1)C)C	PC-id_7640560	367.486	KPXWTZDELKFYKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108783
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(OC)cc(c(c1)C)C	PC-id_7640561	367.486	PNZQIYVDGAVEFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108784
C[C@]1(c2ccccc2)CCCN(C(=O)NCCc2nnc3n2CCC3)CC1	ZINC22_499314884	367.488	JVKDGGZKCHCOAS-NRFANRHFSA-N	00000010100000110101100010000000000000000000000000000000	25-01-108785
C[C@@]1(c2ccccc2)CCCN(C(=O)NCCc2nnc3n2CCC3)CC1	ZINC22_499314886	367.488	JVKDGGZKCHCOAS-OAQYLSRUSA-N	00000010100000110101100010000000000000000000000000000000	25-01-108786
Cc1cc(ccc1)N1CCN(CC1)CC(=O)N(C)Cc1n[nH]c2c1CCC2	PC-id_135098482	367.488	OXKXGSUWUCDFOW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108787
Cc1cccc(c1)N1CCN(CCC(=O)NCc2n[nH]c3CCCc23)CC1	ZINC22_95358215,PC-id_72853374,EMOLS-id_46607348,MCULE-3028330842	367.488	BDFCCCRVCPVDLI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108788
Cc1ccc(C(=O)N2Cc3c(CN4CCCCC4)nn(C(C)C)c3C2)cn1	EMOLS-id_313735381,ZINC22_2055718392	367.488	SAPYRGPRVQLVJB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-108789
CC1CN(CCCN1C(=O)NC1CC(n2c1ncc2)C)Cc1ccccc1	EMOLS-id_101417028	367.488	AVVARVBPXDZFIY-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-108790
CC1CN(CCN(C1)C(=O)NC1CC(n2c1ncc2)C)Cc1ccccc1	EMOLS-id_101423034	367.488	FGZPHZZQZBZPLA-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-108791
CC(c1ccccc1)N1Cc2c(C1)n[nH]c2NC(=O)CCN1CCCCC1	SCHEMBL2913979,PC-id_68439009	367.488	KQJOSFRBIQZAMY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108792
CCc1cccc(NC(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)c1	ZINC22_96259138,EMOLS-id_44369826,PC-id_97519227	367.488	SUPWRCHQFOIAQB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108793
CCc1ccc(NC(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)cc1	ZINC22_96259139,PC-id_97519228,EMOLS-id_44369828	367.488	NMJLYRURBCNDQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108794
CC(C)c1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324831482	367.488	TWSWDLLALHYRDQ-YBEGLDIGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-108795
CC(N1CCN(CC1)c1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_98809549	367.488	YXEUNCFMHLWNND-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108796
CN1CCC(CC1)(CNC(=O)NC1CC(n2c1ncc2)C)c1ccccc1	EMOLS-id_320309776,MCULE-8689792788	367.488	DDBNBNDYHBTIOV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108797
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)Cc1cccs1	MCULE-5001314326	367.488	TWSWDLLALHYRDQ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-108798
O=C(c1n[nH]c2c1CCC2)NCCCN1CCN(CC1)Cc1ccccc1	ASN-20314046	367.488	YVOWSMRLCWRCGY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108799
O=C(N1CCCC(CC1)(C)c1ccccc1)NCCc1nnc2n1CCC2	EMOLS-id_177262442,MCULE-1625783725	367.488	JVKDGGZKCHCOAS-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-108800
O=C(N1CCC(N(CC1)Cc1ccccc1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101417073	367.488	ALWHWXVEYPOFPK-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-108801
O=C(N1CCN(C(C1)(C)C)Cc1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101579310	367.488	PDKZUKIUMGPBNV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108802
O=C(NC1CC(n2c1ncc2)C)Nc1ccc(cc1C)N1CCCCC1C	EMOLS-id_101489219	367.488	CKOWHYMPSODSKV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108803
O=C(NC1CC(n2c1ncc2)C)Nc1ccc(cc1C)N1CCCCCC1	EMOLS-id_101420001	367.488	RUQVUCSTEYQUMO-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-108804
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)CCN1CCCCC1	PC-id_68439012,SCHEMBL2913982	367.488	ROLFOQHCGZFXJK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108805
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccccc1)C#N	PC-id_7195588	367.488	WVGRTYCCARDHGG-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-108806
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1ccc(cc1)C)C#N	PC-id_4955500	367.488	PVJKCLBKENSRTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108807
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/c1ccc(cc1)C)C#N	PC-id_6235292	367.488	PVJKCLBKENSRTA-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108808
Cc1scc(n1)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201155	367.49	MEYCZCUVWCNVRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108809
Cc1sc(nc1C)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100240894	367.49	ZOEBYCQUZHLUJD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-108810
CC(c1nccs1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100206313	367.49	DBSXBAGMSHKGMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108811
O=S(=O)(c1cnc2n1CCC2)N1CCCN(CC1)Cc1cscn1	EMOLS-id_100180517	367.49	IJOWYDSJYOSRAX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-108812
O=S(=O)(c1cnc2n1CCC2)Nc1nnc(s1)CC1CCCCC1	EMOLS-id_97700123	367.49	IVVINLUVVHWJOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108813
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)Cc1ccccc1	PC-id_110960453	367.491	CBMSBFQUNMCXDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108814
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ccc(cc1)C	PC-id_111923621	367.491	XVHMATUAZFAGRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108815
CN=C(N1CCN(CC1)c1cccc(c1C)C)NCc1nnc2n1CCC2	PC-id_111238387	367.491	GKLKYNUAEKWWLU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108816
CN=C(NC1CCN(C1)C(c1ccccc1)C)NCc1nnc2n1CCC2	PC-id_119149883	367.491	QPAZXWOBQHZGOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108817
CN=C(NC1CCN(CC1)Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_110987344	367.491	NJMZTZDVHKQXTD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-108818
CN=C(NC1CN(C(C1)C)Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_109726521	367.491	CEYXMFCRXMDHTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108819
CN=C(NC(c1cccc(c1)N1CCCC1)C)NCc1nnc2n1CCC2	PC-id_109647769	367.491	LZVODOASSWLRKL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108820
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)CN1CCCC1	PC-id_111020511	367.491	YZFCJIDNKDGDON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108821
CN=C(NCc1nnc2n1CCC2)NCC1CCCN1Cc1ccccc1	PC-id_111583060	367.491	ONVHDNOTSKFDLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108822
CN=C(NCc1nnc2n1CCC2)NCC(c1ccccc1)N1CCCC1	PC-id_111020401	367.491	AFDZNCOUDWRMJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108823
COCCOCCN1C(=O)c2c(C1=O)c(sc2C(C)(C)C)C(C)(C)C	PC-id_145553409	367.503	NCRAWPJYNGEUAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108824
s1c2C(C(O)Cc2nc1CCCCC(=O)O)C=CC(O)CCCCC	PC-id_74035180	367.503	VHYKGHAJOKXZHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108825
s1c2C(C(O)Cc2nc1CCCC(=O)OC)C=CC(O)CCCCC	PC-id_74035179	367.503	XBAHJHCCCHFALT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108826
s1c2[C@H]([C@H](O)Cc2nc1CCCCC(=O)O)/C=C/C(O)CCCCC	PC-id_23254893	367.503	VHYKGHAJOKXZHS-PTAOFJJYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108827
s1c2[C@H]([C@H](O)Cc2nc1CCCC(=O)OC)/C=C/C(O)CCCCC	PC-id_23254892	367.503	XBAHJHCCCHFALT-PTAOFJJYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108828
CC(C)(C)C1CCC(CC(=O)NS(=O)(=O)c2cnc3n2CCC3)CC1	MCULE-7613311341,ZINC22_408004398,EMOLS-id_110405177,PC-id_136541031	367.506	XGFYPOZNEZFUDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108829
O=C(Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)CCC1CCCCC1	PC-id_3617084,CoCoCo_4982153	367.506	JKPICAQWVNYAOG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108830
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC(C1(O)CCOCC1)(C)C	EMOLS-id_102012736	367.506	ISLPUKNANSMDSS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108831
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)CC)C(=O)OCC	PC-id_6988727	367.506	FFAOSOOBFAJPRY-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-108832
s1c2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)Cc2cc1	PC-id_85814538	367.506	RYHFSFGCLNMVJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108833
Cc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1	ZINC22_12737220,EMOLS-id_18819769,PC-id_25471221,CoCoCo_4467918,CoCoCo_4467917,MCULE-8608658377	367.508	JJEHKEPLCRYPGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108834
CCc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324905474	367.508	ONXJKGCCJJWRQI-JXAWBTAJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-108835
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)CCC1CCCCC1	MCULE-5677174182	367.508	ONXJKGCCJJWRQI-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-108836
O=C(Nc1ccc(CCC2C(C[NH+](CC2)C)C)cc1)c1n[nH]c2c1CCC2	PC-id_75658310	367.508	ZDJXYZAJHDCBSI-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-108837
O=C(Nc1ccc(CC[C@@H]2[C@@H](C[NH+](CC2)C)C)cc1)c1n[nH]c2c1CCC2	PC-id_51494110	367.508	ZDJXYZAJHDCBSI-WBVHZDCISA-O	00000010100010110001000010000000000000000000000000000000	25-01-108838
O=C(Nc1ccc(CC[C@@H]2[C@H](C[NH+](CC2)C)C)cc1)c1n[nH]c2c1CCC2	PC-id_51494112	367.508	ZDJXYZAJHDCBSI-RDJZCZTQSA-O	00000010100010110001000010000000000000000000000000000000	25-01-108839
s1c2CCCc2c(c1NC(=O)CCN(C(C)C)c1ccc(cc1)C)C#N	PC-id_56526349	367.508	PQSHYSNXVPOYNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108840
s1c2CCCc2c(c1NC(=O)CCN(C(C)C)Cc1ccccc1)C#N	PC-id_55499844	367.508	DYEALNSAGHZAMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108841
s1c2CCCc2c(c1NC(=O)CN(Cc1ccc(C(C)C)cc1)C)C#N	PC-id_9028874	367.508	ORGQRLAMFDLZKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108842
c1(NC(=O)C(=O)NCCN(CC)CC)c2CSCc2nn1C(C)(C)C	CoCoCo_5184697,ZINC22_5438132,PC-id_7685489,EMOLS-id_5617882,ChEMBL-DNDi_CHEMBLF2780-0706,MCULE-1525787750	367.509	REFWCRRIMPYFBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108843
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1scc(n1)C)C)C(=O)N	PC-id_8936781	367.509	SWTXGUGPDHBQHU-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108844
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1scc(n1)C)C)C(=O)N	PC-id_8936785	367.509	SWTXGUGPDHBQHU-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108845
s1c2c(CCC2)c(c1NC(=O)C(Sc1scc(n1)C)C)C(=O)N	PC-id_84876441	367.509	SWTXGUGPDHBQHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108846
c1(NC(=O)CSC2CCCCC2)sc2c(CCC2)c1C(=O)OCC	MCULE-6852611993,PC-id_4148162,CoCoCo_5021943,ZINC22_6327539,EMOLS-id_30110084	367.526	MCDYYZLHBHSSRL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108847
CCN(CC)CCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215669,MCULE-3382503667	367.528	RSEZKNOGSDKAKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108848
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCCCCCN	MCULE-8884001067,EMOLS-id_328215922	367.528	ZDMUOPJSRXLJSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108849
CC(C)OC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCC2	CHEMBL4473216	367.529	ILORYHJJGMJPEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108850
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)CCC)C(=O)OC	PC-id_20180729	367.529	DNRPMFJTBOISAU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-108851
s1c2c(CCC2)c(c1NC(=S)NC1CCN(CC1)CC)C(=O)OC	PC-id_20180160	367.529	CDSSCDDYODLHHC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108852
CCc1cc(Cn2nc3CCC(C)c3c2CBr)ccc1Cl	MCULE-3157389016,EMOLS-id_331010751	367.711	QBUUKBWRPZWVKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108853
CCc1cc(Cn2nc(CBr)c3C(C)CCc23)ccc1Cl	EMOLS-id_331031813,MCULE-1459309731	367.711	PDZRVQVHNWKINR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108854
CC1(CC(=NO1)S(=O)(=O)Cc1c2CCCc2nn1C(F)F)CCl	PC-id_88983044,SCHEMBL12945219	367.799	HSEZYJUJMFFRBJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-108855
Clc1cc(C(=O)Nc2sc3c(C(OC3)C)c2C(=O)O)c(OC)cc1	PC-id_67300641,SCHEMBL2162108	367.804	CWVFRSAVFYYWGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108856
CS(=O)(=O)c1ccc(C(=O)c2c(Cl)cc3n2CCC3C(=O)O)cc1	CHEMBL166934,PC-id_13780983,SCHEMBL11273943	367.804	RDYPPCIXQUXZSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108857
Clc1cc([nH]c1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_55425872	367.807	MSPVWNRIYMDRNL-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-108858
O=C(c1cnc(c(c1)Cl)OC1COCC1)Nc1onc2c1CSC2	PC-id_92084188	367.807	JTCWGHLLUGQGLO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-108859
c12CCCc1c(C(=O)OCC)c(NC(=O)c1c(Cl)cccc1F)s2	MCULE-7048491281,PC-id_46094930,EMOLS-id_25508438	367.822	OAWCCVKCOOJJIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108860
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(F)cc1Cl	PC-id_7623708,ZINC22_5308389,CoCoCo_2840831	367.822	ACALTXHGGIABBV-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108861
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(F)cc1Cl	ZINC22_5308386,CoCoCo_2840830,PC-id_7623706	367.822	ACALTXHGGIABBV-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-108862
Clc1cc(F)c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_8359139	367.822	NAKQLDBBNBVGBQ-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-108863
Clc1cc(F)c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_8359144	367.822	NAKQLDBBNBVGBQ-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108864
Clc1cc(F)c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_78674827	367.822	NAKQLDBBNBVGBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108865
Clc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)ccc1F	PC-id_8359133	367.822	FAAKTCPKIKFKSG-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-108866
Clc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)ccc1F	PC-id_8359134	367.822	FAAKTCPKIKFKSG-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108867
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc1F	PC-id_78674824	367.822	FAAKTCPKIKFKSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108868
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc(F)c1	EMOLS-id_13787625,PC-id_16505617,MCULE-7690910656	367.822	ACALTXHGGIABBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108869
c1(C(=O)Nc2ccc(cc2)OCc2ccc(cc2)Cl)c2CCCc2[nH]n1	MCULE-2970411789,EMOLS-id_335123107	367.829	RLCPXPPGRWGGAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108870
c1(C(=O)Nc2ccc(cc2)OCc2ccc(Cl)cc2)cn2c(CCC2)n1	EMOLS-id_321297885,MCULE-3061732193	367.829	KGOSLKPMPQGEMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108871
COCc1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324900866	367.834	JMTGPZFCHDOLEQ-BAQGIRSFSA-N	00000000100000000001000110000000000000000000000000000000	25-01-108872
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COC	MCULE-6715997077	367.834	JMTGPZFCHDOLEQ-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-108873
Clc1cccc(c1)C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100206316	367.85	WDROXXZSSSEIOU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108874
Clc1ccccc1C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100222183	367.85	UGTPBJZTMSQJIW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108875
Clc1ccc(cc1)C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_303241278	367.85	JFPUMRVMLCZSDC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108876
Clc1ccc(cc1)[C@@H]1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98035820	367.85	JFPUMRVMLCZSDC-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-108877
Clc1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	MCULE-4789122214,PC-id_3634265,ChEMBL-DNDi_CHEMBLF0541-0027,EMOLS-id_16383054,CoCoCo_2666476	367.85	OSDXXRLFBAPUAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108878
Clc1cccc(c1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_3634264,ChEMBL-DNDi_CHEMBLF0541-0026	367.85	XLUUZFDHHXZWEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108879
Clc1ccc(S(=O)(=O)CCC(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536333	367.85	MMDAIJOECBOEGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108880
Clc1c(C(=O)Nc2n(nc3c2CS(=O)(=O)C3)C(C)(C)C)cccc1	PC-id_3634263,CoCoCo_4982158,ChEMBL-DNDi_CHEMBLF0541-0025	367.85	FMTUVQDBAWNTEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108881
Clc1c(nn(c1)C)C(=O)Nc1sc2c(CCC2)c1C(=O)OC(C)C	PC-id_1242101	367.85	KLZCFTBQFTXDKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108882
O[C@@H]1CCN([C@@H]1c1ccc(cc1)Cl)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_102239759	367.85	XGOYQQNTYZQNKK-CZUORRHYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108883
O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CCn2nccc12	ZINC22_585081747,MCULE-1177833326,EMOLS-id_177230754	367.85	UNQCKABEWUGOAQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-108884
Clc1ccccc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324841207	367.852	VTGLBIFOPZPBDW-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108885
Clc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324840181	367.852	DPZOLWKZCVBRNA-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108886
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCc1ccccc1	MCULE-1874222902	367.852	VTGLBIFOPZPBDW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108887
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)CCc1ccccc1	MCULE-5904716745	367.852	DPZOLWKZCVBRNA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108888
O=C(Nc1c2CSCc2nn1C(C)(C)C)Cc1c(F)cccc1Cl	PC-id_121030683	367.869	ZWTWKYQOTURTAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108889
Clc1ccc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nc1	PC-id_19686308	367.874	SESGRPKTMULWDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108890
Clc1ncccc1NC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19686520	367.874	MSADXZZSZDAROT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108891
NC(=O)c1c(NC(=O)CSc2ncccc2Cl)sc2c1CCC2	PC-id_51319443,ZINC22_11033549,MCULE-8171735532,EMOLS-id_44521367	367.874	XNPCHRRCUSAHAL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108892
Clc1cc(SC2CCOCC2)cc(n1)Nc1sc2c(n1)CCC2	PC-id_144988248	367.917	ZSVVEPITEMJJME-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-108893
CC1=C(SC(=N1)OCC(F)(F)F)S(=O)(=O)N2C=C3CNCC3=N2	PC-id_164931992	368.022	HWPUEGMPQURQNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108894
CC1(C2=NN(C(=C2CN1C(=O)Cl)NC(=O)C3=CC=CS3)C(=O)O)C	PC-id_160724571	368.035	RTNPZEHEJCINII-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-108895
CCOC(=O)C(=C1CCC2=C1N(N=C2)CC3=C(C=C(C=C3)Cl)Cl)F	PC-id_149753625	368.049	BDSVQZGRBANQHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108896
CC1(C2=C(CN1C(=O)O)C(=NN2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)C	PC-id_161920362	368.11	YHXSMZZGYGBRBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108897
CC1(CCOCC1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Cl	PC-id_164801013	368.114	XVYVOXWXOPYCOD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-108898
C1CC2=C(C1)SC(=N2)CN3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F	ZINC22_1888863851,MCULE-3837073196,PC-id_154882667,EMOLS-id_324189572	368.128	KYINDWJQYIFWNH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-108899
Brc1sc(C(Cl)c2sc3c(CCC3)c2)cc1Cl	PC-id_80533286	368.14	XVXDEQHRSKLIIU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-108900
BrC(c1sc2c(CCC2)c1)c1cc(Cl)sc1Cl	PC-id_55199361	368.14	DYQXGHUOIXMXJW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-108901
ClC(c1sc(c(c1)Br)Cl)c1sc2c(c1)CCC2	PC-id_102836603	368.14	FTVAWMHBXZWVIC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-108902
CC(C)N1C(=CC=N1)NC2=C(C(=CC(=C2)O)O)C(=O)N3CC4=C(C3)NN=C4	PC-id_155268647,CHEMBL4585738	368.16	MDAGUNYHEHRABH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108903
O=C(NCc1nnc2n1CCC2)c1ccccc1I	PC-id_17508910,MCULE-6327813310,EMOLS-id_16702306,CoCoCo_4491044,ZINC22_13001554	368.173	QASJFYQYTBKKNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108904
O=C(NCc1nnc2n1CCC2)c1cccc(I)c1	MCULE-5427237722,CoCoCo_4491046,EMOLS-id_16730978,PC-id_17518823,ZINC22_12922535	368.173	ORJHDZGLPNCWTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108905
O=C(NCc1nnc2n1CCC2)c1ccc(I)cc1	EMOLS-id_16693777,MCULE-1487917343,ZINC22_12995164,CoCoCo_4474351,PC-id_17505545	368.173	FOXLHKOYLWQSCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108906
c1(C#N)c2CCCc2sc1N=Cc1ccc(I)o1	MCULE-6638936760,PC-id_1277158	368.193	HAXJYQINFSSZJT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-108907
Ic1ccc(/C=N/c2sc3CCCc3c2C#N)o1	PC-id_9618753,STOCK1S-76648,ZINC22_1094575,EMOLS-id_26257034	368.193	HAXJYQINFSSZJT-FRKPEAEDSA-N	00000010101000000000000010000000000000000000000000000000	25-01-108908
Brc1c(C(=O)Nc2sc3CCCc3n2)cc([N+](=O)[O-])cc1	PC-id_61949085	368.206	VNHPLFODVCKGDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108909
Brc1c([N+](=O)[O-])cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_60674507	368.206	YPLVNPTUUCZNMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108910
COc1cc(/C=c/2sc3nc(C)nn3c2=O)cc(Br)c1O	EMOLS-id_324837871	368.206	CUKTVOVHRUKTJD-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108911
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)C	MCULE-6027555508	368.206	CUKTVOVHRUKTJD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108912
O=C(c1cccc(c1Br)[N+](=O)[O-])Nc1sc2c(n1)CCC2	PC-id_104029068	368.206	JKBUYFXGDOYYFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108913
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)OC	MCULE-9799573904,EMOLS-id_330979829	368.213	ZLVARWTXTDCTNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108914
CC1CCc2c1c(CO)nn2Cc1ccccc1I	MCULE-7155665101,EMOLS-id_331008764	368.213	FFRLLZJSHOOWBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108915
CC1CCc2c1c(CO)nn2Cc1cccc(I)c1	MCULE-4935410682,EMOLS-id_331008508	368.213	PLEYPKPNZDLFIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108916
CC1CCc2c1c(CO)nn2Cc1ccc(I)cc1	MCULE-8299746298,EMOLS-id_331008252	368.213	AXUVVVSREYWJQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108917
CC1CCc2nn(Cc3ccccc3I)c(CO)c12	MCULE-9193236877,EMOLS-id_330991543	368.213	GUFGPJROAHJVAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108918
CC1CCc2nn(Cc3cccc(I)c3)c(CO)c12	EMOLS-id_330991287,MCULE-6889139686	368.213	IOSVHHNAKBBVSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108919
CC1CCc2nn(Cc3ccc(I)cc3)c(CO)c12	EMOLS-id_330991031,MCULE-4524247605	368.213	NWWAUXRFASFUPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108920
COc1ccccc1Cn1nc2CCC(C)c2c1I	MCULE-2906166113,EMOLS-id_330964405	368.213	PNPHNSUPTOFQJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108921
COc1ccccc1Cn1nc(I)c2C(C)CCc12	MCULE-3243394513,EMOLS-id_330980345	368.213	WSKZWYAUZUHRJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108922
COc1cccc(Cn2nc3CCC(C)c3c2I)c1	MCULE-1704504003,EMOLS-id_330961332	368.213	PODLJFLALPFNAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108923
COc1cccc(Cn2nc(I)c3C(C)CCc23)c1	MCULE-4700752864,EMOLS-id_330981367	368.213	URQOJZUISMNFAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108924
COc1ccc(Cn2nc3CCC(C)c3c2I)cc1	EMOLS-id_330963889,MCULE-8167785341	368.213	JXFLNEXCOBLEOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108925
Clc1c(Cc2[nH]nc3c2C(N(C3=O)C)CCC(=O)O)ccc(Cl)c1	SCHEMBL1137848,PC-id_66917866	368.215	FEPZYIWUWNURJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108926
O=C(NC1CC(n2c1ncc2)C)CNC(=O)c1cnc(c(c1)Cl)Cl	MCULE-9645963191,EMOLS-id_258094581	368.218	BXBRHUQELAYKRU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-108927
O=C(NCCc1nnc2n1CCC2)C(=O)Nc1ccc(Cl)cc1Cl	EMOLS-id_48318542,PC-id_75443444,MCULE-4044206882,ZINC22_95461153	368.218	LWWBGOICFXYYFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108928
CCCc1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324849382	368.224	KPZYZQDHLQAXMO-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108929
CC(C)c1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324851424	368.224	IEYIIWGVKVLSDH-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108930
CC(C)c1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324846316	368.224	JEHWAZGAAFSIAO-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108931
CCCc1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324848354	368.224	LVBPBYURQHQTEP-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108932
Brc1c(C(N)c2sc3c(CCC3)c2)cc(OC)c(OC)c1	PC-id_43464487	368.289	NFMDLEYJOWCHKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108955
n12c(=O)c(=Cc3ccc(Br)cc3F)sc1nc(C(C)C)n2	MCULE-6364297274	368.224	IEYIIWGVKVLSDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108933
n12c(=O)c(=Cc3ccc(c(Br)c3)F)sc1nc(C(C)C)n2	MCULE-5581561786	368.224	JEHWAZGAAFSIAO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108934
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)CCC	MCULE-3106625949	368.224	KPZYZQDHLQAXMO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108935
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)CCC	MCULE-4913656176	368.224	LVBPBYURQHQTEP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108936
Ic1ccc(cc1)CC(=O)c1sc2c(c1)CCC2	PC-id_114974190	368.233	SGCJRGVGVCQHOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108937
c1(NC(=O)Cn2cc(Cl)cc(Cl)c2=O)sc2c(CCC2)c1C#N	MCULE-5425456778,PC-id_84409752,EMOLS-id_181319610	368.238	VDPDEMJYYMUZEZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108938
Brc1cc(n(c1)C)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_60698272	368.249	SWGRNAODDSUTMX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-108939
Brc1cc(n(c1)C)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_27684829	368.249	MJPDUTHKUDFUEH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-108940
Brc1c(NCc2sc3c(c2)CCC3)ncc(c1C)[N+](=O)[O-]	PC-id_104507847	368.249	YOPZSEQQIOMXKZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-108941
Brc1c(nn(c1)C)C(=O)Cc1sc2c(CCC2)c1C(=O)N	PC-id_11394530	368.249	FHXSKLHRVOEDAL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108942
CCCN(C(=O)c1cc2n(n1)CCO2)C(c1ccc(c(c1)Cl)Cl)C	MCULE-9460903360,EMOLS-id_257915916	368.258	RPBOPAJJOZBUED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108943
Brc1cc2c(s1)C(N(C2=O)CCOS(=O)(=O)C)(C)C	PC-id_121408821,SCHEMBL17837207	368.267	KLTDVRKEFQBKGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108944
BrCS(=O)(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_83084039	368.267	VBTREFMGZHSELF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-108945
BrCC1(Sc2[n+](C1)c(nn2C)NC(=O)c1ccccc1)C	PC-id_11048597	368.272	GHAFVHDNVGSIBL-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-108946
CCOC(=S)C1CCn2c1ccc2C(=O)c1c(Cl)cccc1Cl	SCHEMBL11162786	368.278	RVYNHVKHQVRLKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108947
CCC(CC)c1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324852463	368.281	XNCXYQPHQMRCRT-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108948
CCC(CC)c1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324850926	368.281	GYVWORFVTJYPPA-QPEQYQDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108949
CCC(CC)c1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324853486	368.281	UWOMUXMOKCTQSW-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108950
n12c(=O)c(=Cc3ccc(cc3Cl)Cl)sc1nc(C(CC)CC)n2	MCULE-7475837698	368.281	GYVWORFVTJYPPA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108951
n12c(=O)c(=Cc3ccc(c(Cl)c3)Cl)sc1nc(C(CC)CC)n2	MCULE-7119151257	368.281	UWOMUXMOKCTQSW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108952
n12c(=O)c(=Cc3cccc(Cl)c3Cl)sc1nc(C(CC)CC)n2	MCULE-8764480026	368.281	XNCXYQPHQMRCRT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108953
COc1cc(Br)c(cc1C(c1sc2c(c1)CCC2)N)OC	PC-id_105056597	368.289	XLJYWUJMWXWBHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108956
COc1ccc(c(c1Br)OC)C(c1sc2c(c1)CCC2)N	PC-id_116465669	368.289	UZULYWKSCSBEKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108957
CCCn1ncc(c(c1=O)Br)NCc1sc2c(c1)CCC2	PC-id_114434871	368.292	IJPOQQSMDKGQLD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-108958
CC(n1ncc(c(c1=O)Br)NCc1sc2c(c1)CCC2)C	PC-id_114434876	368.292	KBYIKDDJCIPVQS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-108959
CN(CCn1ncc(c1C(=O)c1sc2c(c1)CCC2)Br)C	PC-id_115804334	368.292	ZXFKYVMMNMIYKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108960
COCCNC(c1sc2c(n1)CCC2)c1ccc(cn1)Br	PC-id_104272658	368.292	JDRMQZYFKPRNNE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-108961
COCCNC(c1sc2c(n1)CCC2)c1cncc(c1)Br	PC-id_116064315	368.292	AOMRPZVVJAYADK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-108962
FC(F)Oc1c(NC(=O)NCc2n3CCCc3nn2)cc([N+](=O)[O-])cc1	PC-id_60487100	368.296	QFDHRQABEMELFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108963
Brc1cc(C(NCCC)c2sc3c(CCC3)c2)ccc1F	PC-id_79722558	368.307	JHXIJRCHTCOVRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108964
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C#C)F)C(=O)O	SCHEMBL20238938,PC-id_134586607	368.307	JMKJKFVMZALSFO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-108965
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C#C)F)C(=O)O	PC-id_134586605,SCHEMBL20238936	368.307	JMKJKFVMZALSFO-SECBINFHSA-N	00001010100000000000000010000000000000000000000000000000	25-01-108966
CCCNC(c1cc(Br)ccc1F)c1sc2c(c1)CCC2	PC-id_105011777	368.307	MMBUPBRXGKVBKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108967
CCCNC(c1cccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_106647970	368.307	HICDXIBBXFNQPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108968
CCNC(c1sc2c(c1)CCC2)Cc1cc(Br)ccc1F	PC-id_115839811	368.307	BAUSMAAMVGHNQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108969
CCNC(c1sc2c(c1)CCC2)Cc1cccc(c1Br)F	PC-id_105020693	368.307	QGFKOTTVMHGWPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108970
CCNC(c1sc2c(c1)CCC2)Cc1ccc(c(c1)Br)F	PC-id_115819028	368.307	DLAMDWNPLSUAMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108971
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Br)F	PC-id_115843343	368.307	SBCLECJCWXTFRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108972
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1F)Br	PC-id_115844770	368.307	ANKPENAHAAKUBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108973
CCNC(c1sc2c(c1)CCC2)Cc1cc(F)cc(c1)Br	PC-id_105015776	368.307	JEFWOLHMPSVALR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108974
CCNC(c1sc2c(c1)CCC2)Cc1cc(F)ccc1Br	PC-id_115843864	368.307	ZOBOSPNGLDAZBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-108975
c12CN(Cc1nn(CC(F)(F)F)c2C=NO)C(=O)OCc1ccccc1	MCULE-2590072019,EMOLS-id_324355183	368.311	GQJJGSXFYSULJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108976
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2NCCn2nc1C(F)(F)F	PC-id_137221518,SCHEMBL18740065	368.311	UEUIIGQNJHRDFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108977
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2NCCn2nc1C(F)(F)F	SCHEMBL18740063,PC-id_137221517	368.311	UEUIIGQNJHRDFC-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108978
COC(=O)c1ccc(cc1)C(C(F)(F)F)NC(=O)N1CCn2c1ncc2	EMOLS-id_324060791,MCULE-5849910665,PC-id_146108864	368.311	ZFHAHYLSSHXOSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108979
COC(=O)c1ccc([C@@H](NC(=O)N2CCn3ccnc23)C(F)(F)F)cc1	ZINC22_602963727	368.311	ZFHAHYLSSHXOSK-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108980
COC(=O)c1ccc([C@H](NC(=O)N2CCn3ccnc23)C(F)(F)F)cc1	ZINC22_602963728	368.311	ZFHAHYLSSHXOSK-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108981
O=C1NC(n2ncc(c2NN=C2c3n(N=C2C)c(nn3)C)C#N)NC(=O)N1	PC-id_77888464	368.314	FITBYSDHYYVQKI-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-108982
O=C1NC(n2ncc(c2NN=C2c3n(N=C2C)nc(n3)C)C#N)NC(=O)N1	PC-id_77925080	368.314	UXKMWSNVSQUPGT-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-108983
O=C1NC(n2ncc([N+]#[C-])c2NN=C2c3n(N=C2C)c(nn3)C)NC(=O)N1	PC-id_76663825	368.314	UQIXPXBMOFAYCA-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-108984
Fc1ccc(cc1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)c[nH]n2)[N+](=O)[O-]	SCHEMBL18380046	368.322	FWBRJMZJYBRDIH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-108985
Brc1c(n(nc1CC)CC)CNCc1sc2c(CCC2)c1	PC-id_65885328	368.335	BHMOBJMELFCGRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108986
CCCNC(c1c(Br)cnn1CC)c1sc2c(c1)CCC2	PC-id_105040072	368.335	VUUSUSLQNABRFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108987
CCn1nc(c(c1CC(c1sc2c(c1)CCC2)N)Br)CC	PC-id_105002336	368.335	YLKXVFFJTVXINH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108988
CCNC(c1c(Br)cnn1CCC)c1sc2c(c1)CCC2	PC-id_105041521	368.335	HWMUJSLHSDVOQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108989
CCNC(c1c(Br)cnn1C(C)C)c1sc2c(c1)CCC2	PC-id_105042363	368.335	CCYZNNXSBYCVPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108990
CCNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Br)C	PC-id_105000542	368.335	OSDFHWJJBJMGEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108991
CNC(c1sc2c(c1)CCC2)Cc1n(CC)nc(c1Br)C	PC-id_104998029	368.335	KCSKTPNEEQKXHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108992
CNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Br)CC	PC-id_104994405	368.335	JADCYJCBVZPZAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-108993
FC1(F)[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)CN1Cc2n(ncc2C1)C	PC-id_51001716,SCHEMBL10360606	368.339	NOAZRXGZPSQVJB-RAIGVLPGSA-N	00000010100000100001100010000000000000000000000000000000	25-01-108994
FC1(F)C(O)C(OC1n1ccc(nc1=O)N)CN1Cc2n(ncc2C1)C	PC-id_75599390	368.339	NOAZRXGZPSQVJB-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-108995
COC(=O)c1nnc2n1c(=C)c(c2C(=O)Nc1ccccc1OC)C(=O)C	PC-id_143762839	368.343	WGBSVSZBGVWLPB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-108996
O=C(NCCc1nnc2n1CCC2)c1ccc(n2cncn2)c([N+](=O)[O-])c1	ZINC22_69564405,MCULE-4709689311,PC-id_53528832,EMOLS-id_36273847	368.35	NORZYHSNMLEURO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-108997
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1OC(F)(F)F	PC-id_111020551	368.357	ULULTNHFMVZWPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108998
FC(F)(F)c1cc(NC(=O)NCc2n3CCCc3nn2)c(N(C)C)cc1	PC-id_60448915	368.357	CUBRJYVNOVAAQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-108999
Fc1c(n2nc(C(=O)NCc3n4CCCc4nn3)c(=O)cc2C)cccc1	PC-id_45864941,EMOLS-id_29989984,CoCoCo_4560521,MCULE-9213166630	368.365	CZONMWROVLAYKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109000
CN(C)/C=c
/sc2c(C#N)cc(C(=O)c3ccc([N+](=O)[O-])cc3)n2c1=O	MCULE-1522647605,ZINC22_3290351	368.367	ZIFJIKMSAQWQSQ-NTEUORMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109001
N#Cc1cc(n2c1sc(=CN(C)C)c2=O)C(=O)c1ccc(cc1)[N+](=O)[O-]	EMOLS-id_300269911,MCULE-3830465898	368.367	ZIFJIKMSAQWQSQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109002
c1(NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330843,MCULE-7220858695	368.373	NDTIKHVQGXWTCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109003
c1(NC(=O)c2ccccc2C(F)(F)F)sc2c(CCC2)c1C(=O)NC	MCULE-2514798977,EMOLS-id_334333138	368.373	DNDHFJUIITYVFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109004
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)NC	MCULE-6788562497,CoCoCo_2590264,EMOLS-id_16349117,PC-id_7474999	368.373	QZEWHSAHGWBSSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109005
Cc1ccc(cc1)NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2	SCHEMBL20541707,PC-id_135362969	368.373	SLGXPSOSABDPCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109006
Cc1ccccc1NC(=O)c1c(sc2c1CCC2)NC(=O)C(F)(F)F	SCHEMBL20541706,PC-id_135362968	368.373	PGHRGNIJJYCCKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109007
NC(=O)c1c(NC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1CCC2	MCULE-1732072706,ZINC22_6509923,EMOLS-id_13462522,CoCoCo_3218619,PC-id_4849949	368.373	PMEOPUTYVSUZCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109008
s1c2CCCc2cc1C(=O)NNC(=O)Cc1cc(ccc1)C(F)(F)F	PC-id_46652826	368.373	QYYOTPMBQPVOBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109009
s1c2c(CCC2)c(c1NC(=O)c1c(CC(F)(F)F)cccc1)C(=O)N	PC-id_60001363	368.373	BNRZNHOSLKYUNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109010
c1(C#N)c2CCCc2sc1NC(=O)C(C)n1c(C)cc(C(F)(F)F)n1	MCULE-4388853313,EMOLS-id_4045795,TIMTEC80309,PC-id_4771391	368.377	BNEIDZXSFSSPNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109011
Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_40441069,ZINC22_2781030	368.377	BNEIDZXSFSSPNM-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-109012
Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_40441070,ZINC22_2781031	368.377	BNEIDZXSFSSPNM-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109013
CCN(CC)c1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324908551	368.377	PSMHISMKQFVXHS-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109014
n12c(=O)c(=Cc3ccc(cc3)N(CC)CC)sc1nc(C(F)(F)F)n2	MCULE-4980572626	368.377	PSMHISMKQFVXHS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109015
C1Cc2c(C1)[nH]nc2C(=O)NC(c1ccc(cc1)CF)c1c(cccn1)F	PC-id_90227650	368.38	XRCZXWQACCPFCM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109016
FCc1ccc(cc1)[C@@H](c1ncccc1F)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL15806846	368.38	XRCZXWQACCPFCM-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109017
COC(=O)c1sc2c(c1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-]	PC-id_58157834,SCHEMBL1175212	368.385	SBGHHJVCDYFNLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109018
c1(coc(COc2cccc(OC)c2)n1)C(=O)NCc1c2CCCc2[nH]n1	CoCoCo_1211784,ZINC22_11935669,PC-id_42289594,CoCoCo_1211785,EMOLS-id_20458261,MCULE-5435522721	368.386	NBCYORNGAIBMAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109019
c1(C(=O)NCc2c(C)oc(c3ccc(c(O)c3)OC)n2)c2CCCc2[nH]n1	ZINC22_1857679437,PC-id_146041125,MCULE-7253368586,EMOLS-id_324097897	368.386	LRVJGYDNZOFRNS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109020
S1c2n(CC1)cc(n2)Cn1cc(Oc2ccccc2)c(=O)c(c1)C(=O)[O-]	PC-id_52378084	368.386	XHTRHMAJBVVYBS-UHFFFAOYSA-M	00000010100000111001000010000000000000000000000000000000	25-01-109021
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)C(=O)O	PC-id_69481320,SCHEMBL5542294	368.388	CTUAXFAUXHALMW-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109022
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)C(=O)O	SCHEMBL5542301,PC-id_69481322	368.388	CTUAXFAUXHALMW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109023
s1c2CCCc2c(c1NC(=O)Cn1nc(nn1)c1ccc(F)cc1)C#N	PC-id_7993290	368.388	IZKKJPSCSLVEDY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109024
c12CN(Cc1cnn2CCO)C(=O)CCCc1onc(c2cccnc2)n1	PC-id_119074319,ZINC22_426719838,EMOLS-id_82742103,MCULE-8763694287	368.39	JQGBPIPKQBDFEM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-109025
c12CN(Cc1cnn2CCO)C(=O)Nc1ccc(cc1)c1onc(CC)n1	PC-id_74245739,ZINC22_97716825,MCULE-5086127993,EMOLS-id_49670794	368.39	BNWAUHMTRTXMJJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109026
Cc1nc(COc2ccccc2C(=O)NCCc2nnc3n2CCC3)no1	MCULE-5360321800,PC-id_51114969,ZINC22_58313661,EMOLS-id_31935482	368.39	QXQKXZNVWJGJBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109027
N#Cc1ccc(cc1)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5540695,PC-id_69480896	368.39	IFVUVLAYBBJSAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109028
O=C1N(CCC1)c1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)N)cc1	SCHEMBL2920679,PC-id_68441374	368.39	FEVQLSIUQCTRCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109029
c12CN(Cc1cnn2CCO)C(=O)Nc1c(C)ccc(c1)c1nnn(C)n1	ZINC22_299801335,EMOLS-id_68934895,PC-id_118792437,MCULE-5254462748	368.393	VNXNRIANEGORAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109030
Fc1cccc(c1F)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184718	368.402	UXUUXAOYCCMSRT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109031
Fc1ccc(c(c1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_100231198	368.402	JWSZJEFDROVOMW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109032
c1(NC(=O)COC(=O)CNC(=O)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1928721,MCULE-7703936456,PC-id_4365225,EMOLS-id_6744783,ZINC22_3117188,SPECS-id_AG-205/36697026	368.405	OHIGQYLYCVWHPD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109033
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(o2)C)c1ccc(c(c1)C)F	PC-id_89608191,SCHEMBL15002285	368.405	ZFIINEXOZFXAJY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109034
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(o2)C)c1ccc(c(c1)F)C	SCHEMBL15002345,PC-id_89608249	368.405	HFMPNDKAKZPAQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109035
Fc1ccc(cc1)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109567	368.405	GMBSGSVGNOZUBH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-109036
c1(NC(=CC(=O)c2cccc(OC)c2)C(=O)O)sc2c(CCC2)c1C#N	MCULE-2293883867,PC-id_16043790	368.406	XWTFECWPTXNDGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109037
c1(NC(=O)C(=CC(=O)c2ccccc2OC)O)sc2c(CCC2)c1C#N	MCULE-1460714560	368.406	WLIKYJGAYIYZEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109038
c1(OC)cccc(c1)C(=O)C=C(O)C(=O)Nc1c(C#N)c2CCCc2s1	MCULE-8016600624	368.406	AZEGNAHGAFUVJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109039
Cc1oc(c2ccccc2C(=O)O)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1821934,PC-id_56658292	368.406	AQXWWHSITOSSMU-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-109040
COc1cccc(c1)/C(=C/C(=O)C(=O)Nc1sc2c(c1C#N)CCC2)/O	PC-id_121594971	368.406	WIOALTPHKXCUHR-DHDCSXOGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109041
COc1ccccc1C(=O)/C=C(C(=O)Nc1sc2c(c1C#N)CCC2)/O	CoCoCo_2067913	368.406	WLIKYJGAYIYZEZ-OQLLNIDSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109042
COc1cccc(c1)C(=O)/C=C(C(=O)O)/Nc1sc2c(c1C#N)CCC2	CoCoCo_2068164	368.406	XWTFECWPTXNDGV-OQLLNIDSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109043
COc1cccc(c1)C(=O)/C=C(Nc1sc2CCCc2c1C#N)/C(=O)O	EMOLS-id_27044985,CoCoCo_2068163	368.406	XWTFECWPTXNDGV-DHDCSXOGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109044
COc1ccccc1C(=O)/C=C(O)/C(=O)Nc1sc2CCCc2c1C#N	CoCoCo_2067912,EMOLS-id_27044847	368.406	WLIKYJGAYIYZEZ-DHDCSXOGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109045
COc1cccc(c1)C(=O)/C=C(O)/C(=O)Nc1sc2CCCc2c1C#N	ZINC22_334162584,EMOLS-id_93418929	368.406	AZEGNAHGAFUVJY-SXGWCWSVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109046
s1c2CCCc2c(c1NC(=O)C(=O)CC(=O)c1c(OC)cccc1)C#N	PC-id_44509589	368.406	WWDIEXAGOIUAQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109047
s1c2CCCc2c(c1NC(=O)C(=O)/C=C(O)/c1c(OC)cccc1)C#N	PC-id_6621629	368.406	SHAJXIIAWHYDPE-ZROIWOOFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109048
s1c2CCCc2c(c1NC(=O)C(=O)C=C(O)c1c(OC)cccc1)C#N	PC-id_78418833	368.406	SHAJXIIAWHYDPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109049
CC1(Cn2cc(nc2O1)[N+](=O)OC(C)(C)C)COC(=O)N1CCNCC1	PC-id_90970158	368.408	WKEDKFISDYLRPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109050
CC(C(C1N=C(C(C1C)SC1C[n+]2n(C1)cnc2)C(=O)[O-])C(=O)O)O	PC-id_101678084	368.408	NYZCCOSAXHPXIQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-109051
C[C@H]1C(=C(C(=O)[O-])N[C@H]1[C@H](C(=O)O)[C@H](O)C)SC1C[n+]2n(cnc2)C1	MCULE-7076046509	368.408	NNMZLHRXLIBHJJ-YJFSRANCSA-N	00000011100000000001000010000000000000000000000000000000	25-01-109052
N#Cc1c(F)cccc1N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101435184	368.408	NXZRUDHQRYDTLV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109053
c1(C(=O)OC)[nH]/c(=N/C(=O)c2c3CCCc3[nH]n2)/sc1c1ccccc1	STOCK7S-42183,EMOLS-id_49405260,ZINC22_95475917,PC-id_71704727,EMOLS-id_48566272,MCULE-1116701664	368.41	OQXWFQREUFCXGD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109054
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343076,MCULE-7165379871	368.41	VXQBRHNNEOUPSN-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-109055
Cc1ccc(cc1)Cn1nc(ccc1=O)C(=O)Nc1onc2c1CSC2	PC-id_121066836	368.41	UKZAPKIEGWBMBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109056
Cc1noc(n1)c1ccc(cc1)C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_36703614,EMOLS-id_30246144,MCULE-7877289738	368.41	LYKGLBAQGLUPEN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109057
CCOc1ccc(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1	EMOLS-id_324879880	368.41	BUYNUFSMIYHVKX-GDNBJRDFSA-N	00000000110000110001000010000000000000000000000000000000	25-01-109058
COc1ccc(Cc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1OC	EMOLS-id_324926989	368.41	LECAKRBJPPYOCT-GDNBJRDFSA-N	00000000110000110001000010000000000000000000000000000000	25-01-109059
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2189157591	368.41	LECAKRBJPPYOCT-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-109060
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1ccc(cc1)OCC	MCULE-4866600725	368.41	BUYNUFSMIYHVKX-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-109061
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ncc(N(=O)=O)s1	MCULE-5764878829,EMOLS-id_328222842	368.41	RMONLYJHWBDDEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109062
O=C(Cn1cnc(cc1=O)c1ccc(cc1)C)Nc1onc2c1CSC2	PC-id_121063770	368.41	SWDYFZQJVHEAAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109063
O=C(Cn1nc(ccc1=O)c1ccc(cc1)C)Nc1onc2c1CSC2	PC-id_121050692	368.41	RJIXTRLWIKTYRT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109064
O=C(Nc1sc2c(n1)C(=O)N(C2)Cc1ccccc1)NCc1ccco1	EMOLS-id_33030414,PC-id_53188475,MCULE-9667316012	368.41	CWGNRKXCCLIFTD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-109065
S1Cc2c(noc2NC(=O)[C@@H](n2nc(ccc2=O)c2ccccc2)C)C1	PC-id_52200166	368.41	RWFJBTAMVGTHBR-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-109066
S1Cc2c(noc2NC(=O)[C@H](n2nc(ccc2=O)c2ccccc2)C)C1	PC-id_52200167	368.41	RWFJBTAMVGTHBR-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109067
S1Cc2c(noc2NC(=O)C(n2nc(ccc2=O)c2ccccc2)C)C1	PC-id_49676136	368.41	RWFJBTAMVGTHBR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109068
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cscn1	EMOLS-id_316319037,MCULE-8091353869	368.413	FZVVVCIHZBMONV-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109069
NC(=O)c1c(NC(=O)Cn2nnc(c3ccccc3)n2)sc2c1CCC2	EMOLS-id_16798466,ZINC22_7454816,CoCoCo_3630921,PC-id_8552837,MCULE-6502692274	368.413	SGHBVIWUUGWHMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109070
O=C(c1cnn2c1CC(C2)NC(=O)c1cscn1)NCc1cccnc1	MCULE-5091046441	368.413	FZVVVCIHZBMONV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109071
s1c2CCCc2cc1C(=O)NNC(=O)Cn1nc(nn1)c1ccccc1	PC-id_9274603	368.413	NBIQREJVKTYSKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109072
CC(N1Cc2c(C1)cc(s2)C(=O)NCc1ccccc1C(F)(F)F)C	PC-id_53171015	368.416	QVYNSMQMGKTSDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109073
c1(NC(=S)Nc2ccc(cc2F)F)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4045919,CoCoCo_6800619,PC-id_3300692,TIMTEC352661,MCULE-1919065027,ZINC22_6626611	368.421	OFBMLOHHTSGOEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109074
s1c2c(CCC2)c(c1NC(=O)CSc1cc(F)c(F)cc1)C(=O)N	PC-id_7737027	368.421	NPOWUQHGKUAXNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109075
s1c2c(CCC2)c(c1NC(=O)CSc1c(F)ccc(F)c1)C(=O)N	PC-id_8870195	368.421	WRWVKAHVHMNWKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109076
s1c2c(CCC2)c(c1NC(=O)CSc1c(F)cc(F)cc1)C(=O)N	PC-id_9046249	368.421	ROLHSGJFKUGNGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109077
s1c2c(CCC2)c(c1NC(=S)Nc1cc(F)c(F)cc1)C(=O)OC	PC-id_20409424	368.421	DASURJLKCZFEGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109078
s1c2c(CCC2)c(c1NC(=S)Nc1c(F)ccc(F)c1)C(=O)OC	PC-id_20409498	368.421	SADNHEFELRKWCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109079
O=C1C(Cn2c1c(c(c2C(=O)OCC)C)CC)(CC(=O)c1ncccc1)C	PC-id_11089918	368.426	XXWMITJLEGWXAZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-109080
O[C@@H]1CC[C@H](CC1)NC(=O)c1ccccc1NC(=O)c1occ2c1CCC2	EMOLS-id_319829802	368.426	SJORIXFOFXHMPJ-SHTZXODSSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109081
COCCCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)N	SCHEMBL19201023	368.428	LBWNIIFLHCKXHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109082
O=C(COC(=O)c1cc2c(s1)CCC2)NCCN1C(=O)CSC1=O	MCULE-9705058076,PC-id_4828827,EMOLS-id_11659079,ZINC22_5308333,CoCoCo_2840811	368.428	SIBXLFKZTMFPBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109083
c12CN(Cc1nn(CC1CC1)c2C(=O)N(C)C)C(=O)OCc1ccccc1	MCULE-9223973846,EMOLS-id_324353899	368.43	WFOBMYAHWQYZOE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-109084
c12CN(Cc1nn(CC1CCC1)c2C(=O)NC)C(=O)OCc1ccccc1	EMOLS-id_324353135,MCULE-2990527998	368.43	IRWCVNSFPLJXJC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-109085
c12CN(Cc1nn(CC1CCCC1)c2C=NO)C(=O)OCc1ccccc1	EMOLS-id_324357998,MCULE-4829811818	368.43	PGEXRWNQSVPNSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109086
c1(C(=O)NC2CC2)n(C(C)C)nc2CN(C(=O)OCc3ccccc3)Cc12	MCULE-3411222775,EMOLS-id_324355175	368.43	XSNISRGEVJNADQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-109087
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)C2CCOCC2)n1	MCULE-8994004869	368.43	KDADNMOFCPEIDU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109088
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)C2CCOCC2)n1	EMOLS-id_316331831,MCULE-6331947160	368.43	KDADNMOFCPEIDU-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109089
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)C2(c3ccccc3)CC2)n1	MCULE-7276980347,EMOLS-id_316331837	368.43	JEUWNLDKGBZCOX-HNNXBMFYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-109090
c1(C(=O)NCCOC)cnn2CC(Cc12)NC(=O)C1(c2ccccc2)CC1	MCULE-3142351137	368.43	PYTWRGKIRGDCNP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-109091
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)C1(c2ccccc2)CC1	MCULE-7044126402,EMOLS-id_316335452	368.43	PYTWRGKIRGDCNP-HNNXBMFYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-109092
Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2n[nH]c3c2CCC3)OCC(=O)N1C	EMOLS-id_316189636,MCULE-8414784611,PC-id_134702278,ZINC22_1529138443	368.43	AQHYDOHEFCOKAJ-MOPGFXCFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109093
CC1CCCCN1C(=O)c1ccc(c(c1)C)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99601311	368.43	GEIIOWLXVXUPIR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109094
CCC(C(=O)N1Cc2c(C1)c(nn2C(=O)C)NC(=O)c1ccccc1)CC	PC-id_141417105	368.43	GQYLEOZUOKYELM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109095
C[C@@H]1C[C@@H](NC(=O)N2CCC(c3ccccc3C(=O)O)CC2)c2nccn12	ZINC22_666550984	368.43	TUZBAVNQIQLUTO-CXAGYDPISA-N	00000010100010110001100010000000000000000000000000000000	25-01-109096
C[C@@H]1C[C@H](NC(=O)N2CCC(c3ccccc3C(=O)O)CC2)c2nccn12	ZINC22_666550985	368.43	TUZBAVNQIQLUTO-DYVFJYSZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109097
C[C@H]1C[C@H](NC(=O)N2CCC(c3ccccc3C(=O)O)CC2)c2nccn12	ZINC22_666550986	368.43	TUZBAVNQIQLUTO-GUYCJALGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109098
C[C@H]1C[C@@H](NC(=O)N2CCC(c3ccccc3C(=O)O)CC2)c2nccn12	ZINC22_666550987	368.43	TUZBAVNQIQLUTO-SUMWQHHRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109099
CCNC(=O)c1ccc(c(c1)NC(=O)c1[nH]c2c(c1C)C(=O)N(C2)CC)C	PC-id_59761488,SCHEMBL12531490	368.43	QHFBEFYJZJYGIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109100
CCOC(=O)n1nc2c(c1NC(=O)[C@@H]1C[C@H]1c1ccccc1)CNC2(C)C	PC-id_58015651,SCHEMBL12879122	368.43	DHCQRNZCARXDKI-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-109101
Cn1c2c(CN(C2)C(=O)C2CCOCC2)c(n1)C(=O)NCc1ccccc1	PC-id_91917563	368.43	KGXKQIQZKVFIHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109102
COc1cccc(CC(=O)N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c1	ZINC22_122174950,EMOLS-id_316857198,MCULE-4527782244	368.43	VINMWLFDJNPBQF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109103
O[C@@H]1CC[C@H](CC1)NC(=O)c1ccccc1NC(=O)c1cn2c(n1)CCC2	EMOLS-id_278938347	368.43	PCYUCTXBNWSEPU-HDJSIYSDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109104
O[C@@H]1CC[C@H](CC1)NC(=O)c1ccccc1NC(=O)c1cnc2n1CCC2	EMOLS-id_319975567,MCULE-6195452387	368.43	GLEIAHUZOOBKRV-HDJSIYSDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109105
O=C(N1CCC(CC1)c1ccccc1C(=O)O)NC1CC(n2c1ncc2)C	EMOLS-id_313158964,MCULE-5654042196	368.43	TUZBAVNQIQLUTO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109106
O=C(NC1CC(n2c1ncc2)C)Nc1ccc2c(c1)OC1(O2)CCCCC1	EMOLS-id_101400121	368.43	UAQWJXRUQDNYHN-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-109107
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1c(C)noc1C	PC-id_92109472	368.43	CDQVVVKWUVRLOL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109108
c1(NC(=O)CS(=O)CC(=O)NNC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_320639228,MCULE-9977063610	368.431	XBSUUSDIQWFIAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109109
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)C)CCC(=O)c1cccs1	PC-id_68442742,SCHEMBL2924226	368.431	PAVVYUDJIFNVKC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109110
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(ccc([N+](=O)[O-])c1)C	PC-id_7640551	368.431	HQLGFMSWICHBJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109111
CC1(c2c(CN1C(=O)Nc1ccccn1)c(n[nH]2)NC(=O)C1(CCC1)C)C	SCHEMBL20060368,PC-id_134426759	368.433	FXNQFPBBJRMKKD-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-109112
CC(c1ccc(cc1)N1CCCC1)C(=O)Nn1c2c(CN(C2)C(=O)N)cn1	PC-id_91169766	368.433	FTJOKICAIYYNTP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109113
CCCCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)C1Cc2c1cccc2	SCHEMBL2918978,PC-id_68440783	368.433	KPQZZUAIPIMSOJ-UHFFFAOYSA-N	00001010100000100001001010000000000000000000000000000000	25-01-109114
CCCC(=O)Nc1cc(ccc1N=C1C(=Nn2c1ncc2C)CO)N(C)C	SCHEMBL14362082	368.433	SCZBPTNIYQUNGV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-109115
CCOC(=O)CCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C)C)CC	PC-id_102010482	368.433	OXOQEVCDZKJBLN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-109116
COc1cc(cc(c1)OC)C(c1nccn1C)NC1CC(n2c1ncn2)C	EMOLS-id_320153062,MCULE-2865907676	368.433	LZCVBSJSHLXNLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109117
n1c(CNC(=O)N(C[C@@H]2CCC(=O)N2)Cc2cccnc2)c2c(CCC2)[nH]1	MCULE-6186519003,ZINC22_426465208,PC-id_121500029,EMOLS-id_177403341	368.433	MCEDHDVVKBDZLC-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109118
OCC1=Nn2c(ncc2C)/C/1=N/c1c(NC(=O)CCC)cc(N(C)C)cc1	PC-id_71153336	368.433	SCZBPTNIYQUNGV-RELWKKBWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-109119
O=C(c1n[nH]c2c1CCC2)N1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_111672755	368.433	JSFBBCLAGRCDGJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-109120
O=C(c1n[nH]c2c1CCC2)N1CCN([C@H](C1)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110971755	368.433	HNXQRFJUNCECRY-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-109121
O=C(C(c1ccc(cc1)N1CCCC1)C)Nc1[nH]nc2c1CN(C2)C(=O)N	SCHEMBL2921199,PC-id_68441521	368.433	FINMHZFVFQLHPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109122
O=C(N1CCCCC1)c1cc(NC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_60489621	368.433	NJGGQSDQFRUAOA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109123
O=C(Nc1[nH]nc2c1CN(C2)CC(=O)N)Cc1ccc(cc1)N1CCCC1	SCHEMBL2924801,PC-id_68442964	368.433	NMWWVPYIXPMABQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109124
O=C(Nc1c(NN=C2C(=Nn3nc(nc23)C(C)C)C(C)(C)C)nccc1)C	PC-id_59247773	368.436	NWICVESDKHKCLN-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-109125
CCCCC([C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)F	PC-id_70481942,SCHEMBL10964417	368.44	XRWAKXANSOQQCD-UTRAYMSCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109126
CCCCC([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)F	SCHEMBL10963342,PC-id_54485273	368.44	XRWAKXANSOQQCD-LRZHBBFJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109127
CCCC[C@@H]([C@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)F	PC-id_70487695,SCHEMBL10992359	368.44	XRWAKXANSOQQCD-LAVFITLUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109128
FC(C(O)C=CC1C(O)Cc2oc(cc12)CCCCC(=O)O)CCCC	PC-id_76141955	368.44	XRWAKXANSOQQCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109129
CCOC(=O)c1c(NC(=O)CNC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_327976119,MCULE-6386660864	368.448	RVGXYJHCASKPHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109130
c1(NC(=O)CCC(=O)c2cc(C)ccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_182637497,PC-id_108807475,MCULE-9109635397	368.449	PYVQPCWXTSPFBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109131
c1(NC(=O)C(C)Oc2ccc(cc2OC)C=C)sc2c(CCC2)c1C#N	PC-id_5160882,STOCK3S-93818,MCULE-8418832398,EMOLS-id_4547044	368.449	UWMGNCKYVWFEGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109132
Cc1cc(C)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1	ZINC22_7779747,CoCoCo_3126415,PC-id_8893600,MCULE-4581701871,EMOLS-id_11672142	368.449	XFYFWQRZDCNMNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109133
C=Cc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1	PC-id_1889040,ZINC22_2261488	368.449	UWMGNCKYVWFEGD-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109134
C=Cc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1	PC-id_1889041,ZINC22_2261487	368.449	UWMGNCKYVWFEGD-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109135
C/C=Cc1ccc(c(c1)OC)OCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3163405	368.449	DJGADFOYSYGDQV-HYXAFXHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109136
CC=Cc1ccc(c(c1)OC)OCC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-7730880353,PC-id_72091145,EMOLS-id_26056774	368.449	DJGADFOYSYGDQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109137
C/C=C/c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1	PC-id_25508906,ZINC22_12784363,CoCoCo_3163404	368.449	DJGADFOYSYGDQV-HWKANZROSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109138
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccc(cc1)C#N	EMOLS-id_331226473	368.449	JDGOISYVQBBUNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109139
COc1ccc(c2ccc(C(=O)NCCc3nc4c(s3)CCC4)o2)cc1	ZINC22_299794939,EMOLS-id_68926503,MCULE-3695352948,PC-id_118788219	368.449	LDZYQHAGXSCZLK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-109140
COCc1ccccc1c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	CHEMBL1822130,PC-id_56658302	368.449	TZTJTNYAYKYBEP-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-109141
N#CCCN(C(=O)[C@H](OC(=O)c1sc2c(c1)CCC2)C)c1ccccc1	PC-id_51906558,GD-id_ZINC39514613	368.449	ZFAKRRZQRCHIFU-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109142
s1c2CCCc2cc1C(=O)Nc1cc(sc1C(=O)[O-])c1ccccc1	PC-id_25388266	368.449	QTZPKJPOWDAEQN-UHFFFAOYSA-M	00000010100100110000100010000000000000000000000000000000	25-01-109143
s1c2CCCc2cc1C(=O)OC(C(=O)N(CCC#N)c1ccccc1)C	PC-id_45637944	368.449	ZFAKRRZQRCHIFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109144
s1c2CCCc2cc1C(=O)OCC(=O)N(CCC#N)c1ccc(cc1)C	PC-id_7623637	368.449	XRKHBIULZWRQAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109145
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N(CCC#N)c1ccccc1)C	PC-id_51906557	368.449	ZFAKRRZQRCHIFU-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109146
s1c2c(CCC2)c(c1NC(=O)CNc1cc(ccc1)C#C)C(=O)OCC	PC-id_37274773	368.449	NBWRQQNBNFKFMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109147
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(C(C)C)cc1)C#N	PC-id_7969161	368.449	MTMGBGMPYUBXJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109148
s1c2CCCc2c(c1NC(=O)COC(=O)C(c1ccccc1)(C)C)C#N	PC-id_7984618	368.449	QIZYLJHGKZVFMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109149
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1cc(c(cc1)C)C)C#N	PC-id_8527120	368.449	SDHMGZJKEPUTFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109150
s1c2CCCc2c(c1NC(=O)COC(=O)CC(c1ccccc1)C)C#N	PC-id_78467063	368.449	CHHOQLFPFZYNIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109151
s1c2CCCc2c(c1NC(=O)COC(=O)C(CC)c1ccccc1)C#N	PC-id_84829377	368.449	UDYWBRWIOGYTCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109152
s1c2CCCc2c(c1NC(=O)COC(=O)C[C@@H](c1ccccc1)C)C#N	PC-id_7265830	368.449	CHHOQLFPFZYNIC-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109153
s1c2CCCc2c(c1NC(=O)COC(=O)C[C@H](c1ccccc1)C)C#N	PC-id_7265831	368.449	CHHOQLFPFZYNIC-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109154
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](CC)c1ccccc1)C#N	PC-id_8753914	368.449	UDYWBRWIOGYTCV-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109155
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H](CC)c1ccccc1)C#N	PC-id_8753915	368.449	UDYWBRWIOGYTCV-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109156
CCCC(=O)N1CCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110450714	368.451	UKSXWWPJNQKYAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109157
O=C(C1CCCCN1S(=O)(=O)c1cnc2n1CCC2)N1CCOCC1	EMOLS-id_100174301	368.451	HZZHGXJWZANDEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109158
OC(=O)CN(C1CC(C1)NS(=O)(=O)c1cnc2n1CCC2)CC1CC1	PC-id_122071962	368.451	OJWHVPOYJDVCHK-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-109159
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cc2n(C1)cc[n+]2C)C(=O)O	PC-id_14124244	368.451	IGYPGUHOCMMQAC-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109160
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)C)C(=O)O	PC-id_14124286	368.451	VHHUUOXDZGJBJS-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109161
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(C1)c[n+](c2)C)C(=O)O	PC-id_14124249	368.451	SLPQFVJNXWVZTO-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109162
S1Cc2c(nn(c2NC(=O)CCC(=O)OCC)CC(=O)NCCC)C1	PC-id_44052938	368.451	FBNZBSRXHCWSBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109163
S1Cc2c(nn(c2NC(=O)COCC)CC(=O)NCC2OCCC2)C1	PC-id_44053125	368.451	SXRYRHINLZSZAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109164
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1Cc2n(C1)cc[n+]2C)C(=O)O	PC-id_10429047	368.451	IGYPGUHOCMMQAC-HNQVOLOISA-O	00001011100000000001001010000000000000000000000000000000	25-01-109165
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)C)C(=O)O	PC-id_10338969	368.451	VHHUUOXDZGJBJS-SQFXPHBZSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109166
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)C)C(=O)O	PC-id_10361616	368.451	VHHUUOXDZGJBJS-ZRPKBAQZSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109167
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1Cn2c(C1)c[n+](c2)C)C(=O)O	PC-id_10474142	368.451	SLPQFVJNXWVZTO-ZRPKBAQZSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109168
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1Cn2c(C1)c[n+](c2)C)C(=O)O	PC-id_9999052	368.451	SLPQFVJNXWVZTO-SQFXPHBZSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109169
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)C)C(=O)O	PC-id_57097840	368.451	VHHUUOXDZGJBJS-VRYRCJCKSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109170
c1(c[nH]nc1c1cccc(OC)c1)C(=O)NCCc1sc2c(CCC2)n1	MCULE-9557142258,ZINC22_91871618,PC-id_70767778,EMOLS-id_44736736	368.453	GILAPNWUXSIVDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109171
CC1=NN(CC1)c1ccc(cc1)C(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_30058329,PC-id_45909096,CoCoCo_4937729,MCULE-5593593703	368.453	UFLGJMVKPZPEBZ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-109172
COCc1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	EMOLS-id_328221305,MCULE-9828989257	368.453	CVVFOJVPPFPKBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109173
O=C(c1noc(c1)c1ccccc1)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030669	368.453	PSXDLCRFSFGCED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109174
O=C(Nc1onc2c1CSC2)CCc1ccc(cc1)n1nc(cc1C)C	PC-id_92116471	368.453	RWMOFASDWGPPIH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109175
s1c2CCCc2cc1C(=O)NN=Cc1c(n(c(c1)C)c1noc(c1)C)C	PC-id_84939467	368.453	UPZNVBYOYIQXLE-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-109176
s1c(C(=O)NCc2n3CCCc3nn2)c(OCC)cc1c1ccccc1	PC-id_52366902	368.453	VEMJADMKCOAIRQ-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-109177
O=C(N1CC(C1)S(=O)(=O)N1CCNCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101899690	368.454	SYPNPCNAJMYLKT-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-109178
c1(C(=O)Nn2cnnc2SCc2ccc(C)cc2)c2CCCc2n(C)n1	MCULE-9477025349,PC-id_84467186,EMOLS-id_320480010	368.456	HBCBMGLDFZTBEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109179
c1(NC(=O)NCc2c3CCCc3[nH]n2)nnc(Cc2ccccc2C)s1	PC-id_46997517,MCULE-9581051414,EMOLS-id_32427354,ZINC22_67920526	368.456	FQVGODIJGGYNAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109180
COc1ccc(cc1)C1=NN(C(=N)SC1C)C(=N)c1n[nH]c2c1CCC2	PC-id_145124495	368.456	FGMOQSRCSHPVGH-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-109181
N#Cc1c(NC(=O)CN2CCN(c3cnccn3)CC2)sc2c1CCC2	EMOLS-id_44045800,MCULE-4546152573,PC-id_35011024,ZINC22_27629109	368.456	HSEGDDFKYDCRNV-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-109182
N#Cc1c(NC(=O)CN2CCN(c3ncccn3)CC2)sc2c1CCC2	CoCoCo_3570902,MCULE-8159787172,CoCoCo_3570903,PC-id_8543154,ZINC22_36384988,EMOLS-id_11756984	368.456	HWNGAPCMIARJKR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-109183
O=C(N1CCn2c1ncc2)CSc1nncn1c1ccc(cc1)C(C)C	EMOLS-id_279043951	368.456	CQKJKACKGOLVQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109184
S(c1n(c(C(=O)N(Cc2n3CCCc3nn2)C)cn1)c1ccccc1)C	PC-id_52599196	368.456	MWQPRGARDUBINK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109185
S(CC(=O)NCc1n2CCCc2nn1)c1n(c2c(cccc2)C)ccn1	PC-id_52550864	368.456	VCJCNDOHGDSGQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109186
CC(C)(C)OC(=O)CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328216439,MCULE-2913651955	368.469	PNWUWNXCZWPKFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109187
COC(=O)C(CC(C)C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6670878904,EMOLS-id_328215921	368.469	GVBCHARFPMIKMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109188
c1(NC(=O)C2CSC(C)(C)N2C=O)sc2c(CCC2)c1C(=O)OC	PC-id_19204780,MCULE-9665493755	368.471	VIBFNBNXUIAWNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109189
c1(NC(=O)CS(=O)C(CC)C(=O)OCC)sc2c(CCC2)c1C#N	MCULE-2607590163,EMOLS-id_320640255	368.471	GGYAYNFNXGRIKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109190
c1(NC(=O)CS(=O)C(C)(C)C(=O)OCC)sc2c(CCC2)c1C#N	MCULE-7416656239,EMOLS-id_320643832	368.471	VGETWBAPVRIDDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109191
c1(NC(=O)CS(=O)C(C)C(=O)OC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320642303,MCULE-4907751078	368.471	JTFYNJWVVHSYOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109192
c1(NC(=O)CS(=O)C(C)C(=O)OCCC)sc2c(CCC2)c1C#N	EMOLS-id_320677482,MCULE-5937041917	368.471	YEGXPOQXNSEIQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109193
c1(NC(=O)CS(=O)CC(=O)OC(C)CC)sc2c(CCC2)c1C#N	MCULE-7215076479,EMOLS-id_320678250	368.471	VAIATUAINIYZPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109194
c1(NC(=O)CS(=O)CC(=O)OCCCC)sc2c(CCC2)c1C#N	MCULE-7768108574,EMOLS-id_320642558	368.471	ACPCZQJJDNGEEZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109195
c1(NC(=O)CS(=O)CC(=O)OCC(C)C)sc2c(CCC2)c1C#N	MCULE-9494643555,EMOLS-id_320679530	368.471	CKUIOEWIDMGXIP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109196
O=C(C1CCS(=O)(=O)C1)Nc1sc2c(c1C(=O)NC1CC1)CCC2	PC-id_71881269,EMOLS-id_44561379,MCULE-7682577860	368.471	RZPACSBMYCRGEL-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-109197
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CCS(=O)(=O)C2)sc2c1CCC2	PC-id_95089214,ZINC22_65067217	368.471	RZPACSBMYCRGEL-SECBINFHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-109198
O=C(NC1CC1)c1c(NC(=O)[C@H]2CCS(=O)(=O)C2)sc2c1CCC2	ZINC22_84544133,PC-id_97015876	368.471	RZPACSBMYCRGEL-VIFPVBQESA-N	00100010100000000000000010000000000000000000000000000000	25-01-109199
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)C)C(=O)OC	PC-id_27651476	368.471	LCIGFEGKAMINRZ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-109200
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N(C)C)C)C(=O)OCC	PC-id_8712188	368.471	ONVWCEPJAPSHMC-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-109201
s1c2c(CCC2)c(c1NC(=O)N1CC[NH+](CC1)CCO)C(=O)OCC	PC-id_8035079	368.471	BBINVMJRNLNOCP-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-109202
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1	SCHEMBL12443131,EMOLS-id_1231119,ZINC22_970539,CoCoCo_5989227,PC-id_1202866,MCULE-3728872968	368.473	KEMKMCKNVAQPGL-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-109203
c1(CN(C)C(=O)C2(CCNCC2)Oc2ccc(cc2)C)[nH]nc2CCCc12	ZINC22_67842819,PC-id_50974905,EMOLS-id_32418750,MCULE-6761923386	368.473	HABAZGIWQFUTDS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109204
c1(CN(C)C(=O)CCC(=O)Nc2ccccc2C(C)C)[nH]nc2CCCc12	EMOLS-id_31609300,MCULE-6074437966,ZINC22_55154980,PC-id_46987826	368.473	YZRHPGRBIJPJEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109205
C1(=O)C(CCCN1Cc1cccc(C)c1)(CNCc1c2CCCc2[nH]n1)O	EMOLS-id_20744567,MCULE-8063703182,PC-id_45251604	368.473	LKYVFCNUEVLBFN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109206
Cc1cccc(c1)CC1(O)CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101574861	368.473	HQRCRJLESOUQTQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109207
Cc1ccc(cc1)C(CNC(=O)c1nn2CCOc2c1)N1CCCCCC1	PC-id_91959828	368.473	AETHOAUEEBBYKO-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-109208
Cc1cccc(CN2CCC[C@@](O)(CNCc3n[nH]c4c3CCC4)C2=O)c1	CoCoCo_1639187,CoCoCo_1639185,ZINC22_15076760	368.473	LKYVFCNUEVLBFN-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109209
Cc1cccc(CN2CCC[C@](O)(CNCc3n[nH]c4c3CCC4)C2=O)c1	ZINC22_15076762,CoCoCo_1639186,CoCoCo_1639184	368.473	LKYVFCNUEVLBFN-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109210
CC1CN(CC(O1)C)Cc1ccc(cc1)CNC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98026489	368.473	AKANCPXWXAMYIW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109211
CC1CN(CC(O1)C)Cc1ccc(cc1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98809930	368.473	CQJQNMWIQXFJKC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109212
CC(CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C)C	SCHEMBL2919906,PC-id_9947459	368.473	WBTHNFXJVBIMRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109213
CC(=O)c1ccccc1c1cc(C(=O)Nc2nc3c(s2)CCC3)cs1	PC-id_56658290,CHEMBL1821923	368.473	QEILTUCEUPXHLF-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-109214
CCOc1ccccc1CN1CCN(C(C1)C)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_97831946	368.473	YSTBFBPCPRLAAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109215
CCCNC(c1ccc(cc1Br)F)c1sc2c(n1)CCC2	PC-id_108264037	369.295	RUYQQIYEZZRXBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109403
CCOc1ccc(cn1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109943	368.473	RTGRKMGQCLMISI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109216
CCOc1ncccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109916	368.473	JZZWIJTZVUFIOT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109217
COc1ccc(cc1)C1CCCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581128,MCULE-2236845197	368.473	HEILVGWURHZZRX-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-109218
COc1ccccc1C1CCC(CN1C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101574792	368.473	PJNVCAKCKGYHKA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109219
COc1cccc(c1)NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109974	368.473	NIWFLHRWYMXIFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109220
COc1ccccc1NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109975	368.473	YHIVLNNKGSHAPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109221
COc1cccc([C@H](CNC(=O)c2c3c(nn2C)CCC3)N2CCCC2)c1	ZINC22_905256062	368.473	HEZCPYZHQIKQFC-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-109222
COc1cccc([C@@H](CNC(=O)c2c3c(nn2C)CCC3)N2CCCC2)c1	ZINC22_905256063	368.473	HEZCPYZHQIKQFC-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109223
COc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2C[C@H](C)n3ccnc23)cc1	ZINC22_334071497	368.473	HEILVGWURHZZRX-IPELMVKDSA-N	00000010100000110101100010000000000000000000000000000000	25-01-109224
COc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2C[C@@H](C)n3ccnc23)cc1	ZINC22_334071498	368.473	HEILVGWURHZZRX-LZQZEXGQSA-N	00000010100000110101100010000000000000000000000000000000	25-01-109225
COc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2C[C@@H](C)n3ccnc23)cc1	ZINC22_334071499	368.473	HEILVGWURHZZRX-MNEFBYGVSA-N	00000010100000110101100010000000000000000000000000000000	25-01-109226
COc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2C[C@H](C)n3ccnc23)cc1	ZINC22_334071500	368.473	HEILVGWURHZZRX-SNRMKQJTSA-N	00000010100000110101100010000000000000000000000000000000	25-01-109227
COCc1ccc(cc1)C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	EMOLS-id_313735890,ZINC22_1565549661	368.473	YICAVMAPYZROQR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109228
O=C(NCc1cccs1)c1cc2c(s1)CCN2C(=O)c1ccccc1	PC-id_97442318,EMOLS-id_44303556,ZINC22_96146791	368.473	MOZAFIAQMLUHOR-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-109229
c1(NC(=O)CN2CCN(CC2)S(=O)(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_13504576,CoCoCo_4268995,MCULE-1273539015,PC-id_17566730	368.474	SJNMGUJBVDNTFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109230
O=C(c1sc(nc1C)C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481298	368.474	IGRULYFLIFOSAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109231
O=S(=O)(c1cnn(c1)C1COCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102020926	368.474	QLTQYPKBKFSYID-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-109232
c1(NC(=O)CSc2nc(C)cc(C)c2C#N)sc2c(CCC2)c1C#N	EMOLS-id_2005903,PC-id_1005127,CoCoCo_1015884,ChEMBL-DNDi_CHEMBL7903721,SPECS-id_AM-807/14147255,MCULE-4132845610,ZINC22_663277,STOCK2S-92073	368.476	BQEDBGGALJJCBD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-109233
Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc23)cnc1N1CCCC[C@H]1C	ZINC22_333294306	368.476	BFWGBDPMBFVUQM-BFYDXBDKSA-N	00000010100010101001100010000000000000000000000000000000	25-01-109234
Cc1cc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc23)cnc1N1CCCC[C@H]1C	ZINC22_333294311	368.476	BFWGBDPMBFVUQM-HLLBOEOZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-109235
Cc1cc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc23)cnc1N1CCCC[C@@H]1C	ZINC22_333294317	368.476	BFWGBDPMBFVUQM-YQQAZPJKSA-N	00000010100010101001100010000000000000000000000000000000	25-01-109236
Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc23)cnc1N1CCCC[C@@H]1C	ZINC22_333294318	368.476	BFWGBDPMBFVUQM-ZMSDIMECSA-N	00000010100010101001100010000000000000000000000000000000	25-01-109237
Cc1nnc2n1[C@H](C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)CC2	ZINC22_2325779709	368.476	ZBAMGXRELHYNMJ-MSOLQXFVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109238
Cc1nnc2n1[C@@H](C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)CC2	ZINC22_2325779710	368.476	ZBAMGXRELHYNMJ-QZTJIDSGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109239
Cc1nnc2n1[C@H](C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)CC2	ZINC22_2325779711	368.476	ZBAMGXRELHYNMJ-ROUUACIJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109240
Cc1nnc2n1[C@@H](C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)CC2	ZINC22_2325779712	368.476	ZBAMGXRELHYNMJ-ZWKOTPCHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109241
CCc1cc(C)nc(N2CCC(C)(NC(=O)c3n[nH]c4c3CCC4)CC2)n1	ZINC22_1875310430,MCULE-8193886902,PC-id_146098785,EMOLS-id_324023105	368.476	PIONUVXMIULSLE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-109242
CCNC(=NCc1ccccc1OCC1CC1)NCc1nnc2n1CCC2	PC-id_111576619	368.476	UWWLOCSFJNHRGC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-109243
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)c1ccc(cc1)OC	PC-id_111731301	368.476	PDIAQBREAKVVGU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109244
CCNC(=NCc1nnc2n1CCC2)N1CCC(CC1)Oc1ccccc1	PC-id_109426148	368.476	GPBGRTDOGZLHQN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109245
CCNC(=NCc1nnc2n1CCC2)N1CCOC(C1)c1ccccc1C	PC-id_109480011	368.476	RCAMWOLQFYSATA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109246
CN1CCN([C@H](C1)Cc1ccccc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2N	SCHEMBL1367125,PC-id_59474219	368.476	LBBLXEQQSFEUCL-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109247
CN(c1ccc(cn1)NC1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	MCULE-7289615165,EMOLS-id_316110883	368.476	OTFQNXDPGIJUGR-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-109248
CN(C)c1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324832506	368.476	BLVDPODDTUFJNW-GDNBJRDFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109249
CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cn1	ZINC22_328637726	368.476	OTFQNXDPGIJUGR-AWEZNQCLSA-N	00000010100000101101000010000000000000000000000000000000	25-01-109250
CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cn1	ZINC22_328637727	368.476	OTFQNXDPGIJUGR-CQSZACIVSA-N	00000010100000101101000010000000000000000000000000000000	25-01-109251
CN=C(N1CCC(C1)COCc1ccccc1)NCc1nnc2n1CCC2	PC-id_111527021	368.476	ROEWTODUUYZUQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109252
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OCC1CC1)C	PC-id_109586603	368.476	CZXYOPPLTGSZGJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-109253
CN(C(=O)Nc1ccccc1N1CCCCCC1)Cc1nnc2n1CCC2	EMOLS-id_318289370	368.476	YQXLXSZLPCVQDM-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-109254
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)Cc1cccs1	MCULE-1181940041	368.476	BLVDPODDTUFJNW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109255
O=C(N1C(c2[nH]nc(N)c2C1)(C)C)N1C(CN(CC1)C)Cc1ccccc1	PC-id_72295386	368.476	LBBLXEQQSFEUCL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109256
O=C(N1CCN(CC1)c1ccccc1)CCCNC1CC(n2c1ncn2)C	EMOLS-id_316579561	368.476	KFSORONBRJLALH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109257
O=C(Nc1cc(ccc1C)NC1CC(n2c1ncn2)C)CN1CCCCC1	MCULE-4329641040,EMOLS-id_320236709	368.476	SCHVQGARVHCXLG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109258
O=C(NC1CC(n2c1ncc2)C)Nc1cnc(c(c1)C)N1CCCCC1C	EMOLS-id_101481095,MCULE-9637719074	368.476	BFWGBDPMBFVUQM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-109259
O=C(NC(c1nnc2n1CCC2)C)NC1CCN(CC1)Cc1ccccc1	EMOLS-id_98765475	368.476	AXLXWWJACDGNCE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109260
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncccc1)C#N	PC-id_31114953	368.476	JBZHCYPJWTWRHC-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-109261
Cc1nsc(n1)N1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100235632	368.478	OGOFYWXCXVFVTR-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-109262
CCc1nsc(n1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100235653	368.478	DJGXNJRBJVRGFU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-109263
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1	PC-id_3928575	368.489	MFJCWEJBKKLWDR-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-109264
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCCCC1	PC-id_1336856,MCULE-2508305140,CoCoCo_1797023,Chemmine_5832,EMOLS-id_2303478,ZINC22_1170967	368.492	SFTJSPCCUZIFMM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109265
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCCCC1	ZINC22_716649,EMOLS-id_6768054,MCULE-9441977653,SPECS-id_AG-205/37267030,CoCoCo_1949848,TIMTEC347190,PC-id_1043365	368.492	NYZZDFRTJCFCCK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109266
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCCCC1	MCULE-8262845264,Chemmine_7481,CoCoCo_706850,EMOLS-id_2302245,ZINC22_1216316,PC-id_1369830	368.492	MBVZPXVPTXJWPE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109267
c1(NC(=O)C2CCC2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8657499900,EMOLS-id_334331563	368.492	SQIXQFDYQCNKJB-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-109268
c1(NC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C#N	MCULE-7313630837,EMOLS-id_322624591	368.492	BQZYRIPDZAUZOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109269
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-4528117253	368.492	CBYQLCWGYLWVCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109270
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)c1C#N	EMOLS-id_322626113,MCULE-1985990666	368.492	HSJHUEIMNTUPDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109271
c1(sc2c(CCC2)n1)NC(=O)[C@H](C)c1ccc(cc1)C[C@@H]1CCCC1=O	MCULE-9823144704,EMOLS-id_323242659	368.492	AVNUEBHOAVCYOJ-CJNGLKHVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109272
CNC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)C)sc2CCCc12	EMOLS-id_334329045	368.492	CBYQLCWGYLWVCV-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109273
NCc1ccc2c(c1)C1(CCN(CC1)C(=O)c1sc3c(c1)CCC3)CO2	SCHEMBL2111189,PC-id_57750501	368.492	GMTMGMVXIYNJPP-UHFFFAOYSA-N	00000010100010100000000010000000000000000000000000000000	25-01-109274
N#Cc1c(NC(=O)CCOc2ccc(cc2)C(C)(C)C)sc2c1CCC2	EMOLS-id_317358856,PC-id_3494815,MCULE-6412130161	368.492	RGKGAZMFXMZUTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109275
CCOCCNCC1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9711085,PC-id_54413769	368.493	VVYHOONPFMAEQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109276
CCOC(NCC1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)C	SCHEMBL9711082,PC-id_67912736	368.493	RKTHWROXYMJFDN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109277
COCCC1(C)C(NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_21735840,SCHEMBL9654104	368.493	NDESPKDUKRVKNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109278
c1(NC(=O)C(=O)NCCCOC(C)C)c2CSCc2nn1C(C)(C)C	ZINC22_5438099,ChEMBL-DNDi_CHEMBLF2780-0694,EMOLS-id_5617866,PC-id_7685470,MCULE-3704664937,CoCoCo_5184688	368.494	FSTTYQKHHSDTLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109279
CC1CN(CC(O1)C)CC1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199187	368.494	WHAMUIXTUHRXIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109280
CC(C1(CCCC1)N1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100218454	368.494	PRYPUUDWIHHPDS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-109281
CCCCS(=O)(=O)N1CCC(C(=O)Nc2c3c(nn2C)CCC3)CC1	EMOLS-id_316830618,ZINC22_620886532,MCULE-5940091094	368.494	ONNPFNXCSNNJAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109282
CCOC(=O)n1nc2c(c1NC(=O)C1(CC1)S(C)(C)C)CNC2(C)C	SCHEMBL19537565	368.494	ZBYKBTSHAHOECR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-109283
Cn1nc(c2c1CCC2)CN(S(=O)(=O)N1CCOCC1)C1CCCC1	PC-id_92110085	368.494	DMRKLUHPWMIMKZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109284
OC1CCCCC1N1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100226164	368.494	QBUHOKLOKLGNPE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-109285
O=C(N1CCCCCC1)CN(S(=O)(=O)c1cnc2n1CCC2)C(C)C	EMOLS-id_98570794	368.494	RSZRRHYHAUMECF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-109286
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CN(S(=O)(=O)C)C	PC-id_92109881	368.494	HJXLIKCZISJKLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109287
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)CCN1CCOCC1	EMOLS-id_100192704	368.494	IZZRGXBMKDEZNZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109288
O=S(=O)(c1cnc2n1CCC2)NCC1(CCCCC1)N1CCOCC1	EMOLS-id_100205023	368.494	SEZPPRJJGSXWBD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-109289
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CCC[NH+]1CCOCC1)C(=O)N	PC-id_2438699	368.494	SGUWHMRGWRRQDI-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-109290
s1c2c(CCC2)c(c1NC(=O)CSc1scc(n1)C)C(=O)OC	PC-id_7499762	368.494	POVLVEPKRGUJLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109291
s1c2c(CCC2)c(c1NC(=O)CSc1sccn1)C(=O)OCC	PC-id_60529861	368.494	LUKKKDVPBGNUHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109292
Cc1csc(c1)SN(C)C(=O)ON=C1C(Sc2nccn12)(C)C	SCHEMBL11192373,PC-id_88738924	368.497	IXPVFYJLWQJBAP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109293
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1ccc(s1)C(C)(C)C	EMOLS-id_99664913	368.497	JHYFQEIFNCQRNT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109294
c1(NC(=S)NC(=O)CC(C)(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-8110486549,PC-id_19189229	368.514	SUSAZOUHWCFHAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109295
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCCCC)C(=O)OC	PC-id_54789000	368.514	BFNKHABZWPWAOO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109296
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCCC)C(=O)OCC	PC-id_4954038	368.514	VTWJXRFFRQMQIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109297
COc1cccc(CN2Cc3c(CN4CCCCC4)nn(C(C)C)c3C2)c1	ZINC22_2055719435,EMOLS-id_313736661	368.516	CQUXZEOGAGYKRE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109298
s1c2c(CCC2)c(c1NC(=O)CC[NH+](Cc1c(cc(cc1)C)C)C)C#N	PC-id_25471220	368.516	JJEHKEPLCRYPGV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-109299
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(C(C)C)cc1)C)C#N	PC-id_9028873	368.516	ORGQRLAMFDLZKN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-109300
s1c2CCCc2cc1C(=O)NNC(=S)NCCCN1CCOCC1	PC-id_8746013	368.517	GVYDULFEUAJPCC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109301
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCC[NH+](CC)CC	PC-id_7685488	368.517	REFWCRRIMPYFBA-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-109302
CCNC(=NCc1nnc2n1CCC2)NC(c1ccc(cc1)CC(C)C)C	PC-id_111298575	368.519	GNNQQYJTONWYSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109303
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)CC)(C)C	PC-id_109465170	368.519	WCMODADGQADHIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109304
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1)C(C)(C)C	PC-id_111020645	368.519	SXIBERDCDHLHIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109305
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)(CC)CC	PC-id_111499957	368.519	YLRXLWNTLSFYIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109306
CCNC(=NCc1nnc2n1CCC2)NCCCc1ccc(cc1)C(C)C	PC-id_111549546	368.519	SUVHMVCKKMWQSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109307
N(C1CCN(CC1)c1nc(ncc1CCC)C)(Cc1n[nH]c2c1CCC2)C	PC-id_72908367	368.519	GBDVDXBKZUKYJH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-109308
s1c2CCCc2c(c1NC(=O)CSc1sc(SC)nn1)C#N	PC-id_7820419	368.521	IJTWYFLIZUMONX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109309
s1c2CCCc2c(c1NC(=O)CSc1snc(SC)n1)C#N	PC-id_4466101	368.521	KPULJIGWMCAEMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109310
CCCCC(=O)C1=Cc2c(C1CC(c1ccc(cc1)OC)(C)C)ccs2	PC-id_145591521	368.532	QSFHPPAVTJPDFJ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-109311
CC(N1Cc2c(C1)cc(s2)C(=O)N1CCC(CC1)Cc1ccccc1)C	PC-id_53171004	368.536	ODOQZKOXFDRRSN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109312
s1c2c(CCC2)c(c1NC(=S)NCCCCCCCC)C(=O)OC	PC-id_19651064	368.557	PJOASSUFRYIRSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109313
s1c2c(CCC2)c(c1NC(=S)NCC(CCCC)CC)C(=O)OC	PC-id_19651793	368.557	MQAKKCQSPANSBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109314
s1c2c(CCC2)c(c1NC(=S)NC(CC(C)(C)C)(C)C)C(=O)OC	PC-id_19652275	368.557	JYWPGYBJCAAQHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109315
s1c2c(CCC2)c(c1NC(=S)NC(CCCC(C)C)C)C(=O)OC	PC-id_19652448	368.557	DODANOVUGQPKOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109316
s1c2c(CCC2)c(c1NC(=S)N(CCCC)CCCC)C(=O)OC	PC-id_19653186	368.557	BIMYOVGAWHXAQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109317
s1c2c(CCC2)c(c1NC(=S)N(CC(C)C)CC(C)C)C(=O)OC	PC-id_19653260	368.557	JXZCBEQJXGOYJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109318
s1c2c(CCC2)c(c1NC(=S)N(C(CC)C)C(CC)C)C(=O)OC	PC-id_19653516	368.557	LVIKHQBXYMUUDL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109319
COC(=O)C1(Cc2c(C1)c(oc2[Si](C)(C)C)[Si](C)(C)C)C(=O)OC	PC-id_122203605	368.572	KGRKXNBSFYYVGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109320
CCCCCCCCCCCCCCOCC1(C)Oc2c(O1)csc2	PC-id_141058647	368.574	FBTQDKSDNKGNAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109321
CCn1c(c(c2c1CCC2)Cc1ccc(cc1)S(=C)(=C)N1CCCC1)C	PC-id_90975634	368.579	MTAHYFSQKJDLTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109322
C=CCOc1c(C)cccc1[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	SCHEMBL2924629,PC-id_21880947	368.608	AZKMGLOKCMTWBV-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-109323
C=CCOc1c(C)cc(cc1[Si](C1C(=Cc2c1sc(c2)C)C)(C)C)C	PC-id_21880975,SCHEMBL2924251	368.608	ZXROHGNVSGOPNT-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-109324
Brc1c(C(=O)c2n3CCC(c3c(Cl)c2)C(=O)O)cccc1	SCHEMBL11010572,PC-id_20405068	368.61	SUYPVOQIOQIOSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109325
OC(=O)C(=O)c1c(Cl)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)F)F	PC-id_139434838,SCHEMBL21296668	368.719	WFSXDXKWZKTJBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109326
FC1CN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F	SCHEMBL19584532	368.766	OCZIMJGFPDZGCJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-109327
Cc1nn2c(=C)nnc2c1Nc1cc(c(c(c1)Cl)O)NS(=O)(=O)C	PC-id_136655879	368.799	JBHSHRNPWOPTBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109328
CC1=Nn2c(nnc2C1=Nc1cc(c(c(c1)Cl)O)NS(=O)(=O)C)C	PC-id_136089201	368.799	PJEDOKUDZVMNKY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-109329
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(F)c1	PC-id_26763459	368.81	QQFZZQLKQCCADQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109330
CCOC(=O)n1nc2c(c1NC(=O)C1CCC1)CN(C2(C)C)C(=O)Cl	SCHEMBL1204649,PC-id_58015653,EMOLS-id_36028979	368.815	CLLMRPATYVSNKI-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-109331
c1(C(=O)NCc2ccc(cc2)Cl)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316254712,MCULE-8205615475	368.817	BVLWXVHRFMUMKF-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109332
c1(C(=O)NCc2ccccc2Cl)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316327217,MCULE-2271059246	368.817	FKZINYDGMZSSQA-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109333
c1(C(=O)NCc2ccc(cc2)Cl)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-6810257071,EMOLS-id_317424737	368.817	LOSARWRANZVBHL-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109334
c1(C(=O)NCc2ccc(cc2)Cl)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-7851047939	368.817	BVLWXVHRFMUMKF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109335
c1(C(=O)NCc2ccc(cc2)Cl)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-2821375467	368.817	LOSARWRANZVBHL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109336
c1(C(=O)NCc2ccccc2Cl)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-6619230026	368.817	FKZINYDGMZSSQA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109337
O=C(NCc1nnc2n1CCC2)c1ccc(Oc2cccc(Cl)c2)cc1	MCULE-1238596485,EMOLS-id_32156927,ZINC22_58215021,PC-id_51131039	368.817	XILHADQHHKTQFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109338
Fc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1Cl	MCULE-5035719932,EMOLS-id_328220538	368.832	FOEYWLQNNZXTIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109339
Clc1cc(c2oc(C(=O)Nc3sc4CCCc4c3C#N)cc2)ccc1	PC-id_4511743	368.837	VNIJFYFSIZKHSO-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-109340
Clc1ccc(c2oc(C(=O)Nc3sc4CCCc4c3C#N)cc2)cc1	PC-id_4511744	368.837	BOMOKQTUOXGPEO-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-109341
N#Cc1c(NC(=O)c2ccc(c3ccccc3Cl)o2)sc2c1CCC2	MCULE-3321820686,EMOLS-id_44515792,PC-id_71902514,ZINC22_60526418	368.837	SPUXPCYQYSMACR-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-109342
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCn3nccc23)c1	MCULE-5807701077,ZINC22_585081577,EMOLS-id_177277519	368.838	RBRNRDGKGKHCSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109343
Clc1c(n2ncc(C(=O)Nc3sc4CCCc4c3C#N)c2)cccc1	MCULE-1233329620,EMOLS-id_49292010,PC-id_75493740	368.84	VYUYHIXDLAZPFY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109344
COc1ccc(Cl)cc1S(=O)(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322626885,MCULE-7988853640	368.858	UWMBFWSCVUKHIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109345
N=C(C(Cl)(Cl)Cl)[C@@H]1C=Cc2c1nc(o2)C(Cl)(Cl)Cl	PC-id_101467588	368.859	WYOUTLDRGWZFGT-GSVOUGTGSA-N	00000011100000000001000010000000000000000000000000000000	25-01-109346
C#CCNc1cc(/N=c/2snc3n2CC(S3)(C)C)c(cc1Cl)F	SCHEMBL10548415,PC-id_14406430	368.88	FASZZRSEZSIIDN-UYRXBGFRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109347
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(s1)Cl)O	PC-id_111501863	368.885	PSCYYQKSHWFORJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109348
CCCC[N+]1([O-])Cc2c(C1=O)c(sc2Br)Br	SCHEMBL17201481,PC-id_118468526	369.073	UMUWGUPKZVFVLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109349
CCOC1=C(C(=C(C=C1)F)C(=O)O)NS(=O)(=O)C2=CN=C3N2CCC3	EMOLS-id_317324465,PC-id_154753190,MCULE-9878109940	369.079	OYMOFHPTVCOPBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109350
CC(C)(C)OC(=O)N1CC2=C(C1)N(C(=N2)S(=O)(=O)C)CC(F)(F)F	PC-id_153944122	369.097	AIRLNCAUYXXFLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109351
CC(C(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CN(N=C3)CCOC)O	PC-id_164931894	369.111	PZWNJQMXJZUXND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109352
CCOC(=O)C(=O)C1=CC(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154663340	369.112	MYAVVJIMIGKUAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109353
CC1=C(NN=C1)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4	PC-id_164872056	369.126	SWYSSMHXOQNAGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109354
CCC(C1=CC=CC=C1)C(=O)N2CC3=CN(N=C3C2)S(=O)C4=CNN=C4	PC-id_164872309	369.126	GHKVJCLXTPQLHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109355
Cn1cc2CN(Cc2n1)C(=O)Cc1c(ccc(n1)c1c(cc(cc1)F)F)N	PC-id_163888172	369.14	SMVGORBRENFZST-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-109356
Ic1cnn2CCN(C(=O)OCc3ccccc3)c12	EMOLS-id_331225708	369.158	YLAPLCHEQXXSJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109357
CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CNC4)C(=O)[O-]	PC-id_161902495	369.168	YFPHVKDWXKFRPO-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-109358
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NC	PC-id_7474984,MCULE-5609429869,EMOLS-id_334328283	369.266	DHFJPOKMVRTACH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109380
C1CC2=C(C1)SC(=N2)CN3CCC(CC3)C(=O)N4CCC(CC4)(F)F	ZINC22_1889108475,MCULE-5978586697,EMOLS-id_331209160,PC-id_155975952	369.169	QPCGXQALZQKUIT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109359
Ic1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_314100965,PC-id_8886753	369.221	WNUMAFBCKVXHHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109360
Ic1c(NC(=O)c2sc3CCCc3c2)cccc1	PC-id_26087584,EMOLS-id_314099683	369.221	FYWLGXVQNJXITL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109361
Nc1sc2c(c1C(=O)c1ccc(I)cc1)CCC2	PC-id_44301467,CHEMBL59447	369.221	RSMZTWDEVLBMOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109362
O=C(Nc1cccc(I)c1)c1cc2c(s1)CCC2	MCULE-9067098142,EMOLS-id_16799333,ZINC22_7264792,PC-id_8362837,CoCoCo_3175028	369.221	VVJOKPNHXNXTTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109363
N#Cc1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)sc2c1CCC2	CoCoCo_3155015,MCULE-7633106690,ZINC22_6583106,EMOLS-id_3502942,PC-id_8002504	369.226	AHKOAGGXHIRCQR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-109364
Brc1cc([nH]c1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_60667358	369.234	UXUJKSOCHBIPQE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-109365
c1(NC(=O)c2ccc(Br)o2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334333648,MCULE-8536581363	369.234	BQKZFXYWOVRBDC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-109366
COc1ccc(cc1Br)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104288852	369.234	OERXQCZUEDJEBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109367
COc1cc(ccc1Br)Nc1nc2c(s1)CCC2C(=O)O	PC-id_104289196	369.234	YXXKGUFUFYCYBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109368
COc1ccc(cc1Nc1nc2c(s1)CCC2C(=O)O)Br	PC-id_104288513	369.234	OCRKMFSCFYKLPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109369
COc1ccc(c(c1)Nc1nc2c(s1)CCC2C(=O)O)Br	PC-id_104288869	369.234	RVMPGQSHHKEDOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109370
COc1cc(Nc2sc3c(n2)C(CC3)C(=O)O)cc(c1)Br	PC-id_104289197	369.234	WLCSZKYEBIBLHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109371
c1(NC(=O)c2nn(cc2Br)C)sc2c(CCC2)c1C(=O)N	ZINC22_696061,TIMTEC481780,MCULE-3148819136,PC-id_1028457,CoCoCo_815861,EMOLS-id_1103920,ChEMBL-DNDi_CHEMBL1420526,CHEMBL1420526	369.237	UNAQWYFIKDQXJZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109372
Clc1c(Cc2n(nc3c2CCC3)C)cc(OC(C)C(=O)O)c(Cl)c1	PC-id_77542465	369.242	VMTCQMLUTUFSQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109373
Clc1c(Cc2n(nc3c2CCC3)C)cc(O[C@@H](C)C(=O)O)c(Cl)c1	SCHEMBL3604633,PC-id_68710292	369.242	VMTCQMLUTUFSQY-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-109374
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331017649,MCULE-3571858408	369.247	RSDCMDDJBDYKPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109375
Brc1c(C(=O)NCc2sc3CCCc3c2)cc(N)c(F)c1	PC-id_62814392	369.252	MLOPYMDSGGLGKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109376
Ic1ccc(cc1)CC(c1sc2c(c1)CCC2)N	PC-id_113668387	369.264	HGWFVQXFRYJBTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109377
Ic1ccc(cc1)CNCc1sc2c(c1)CCC2	EMOLS-id_314672643,PC-id_65478605	369.264	INGHBUHWVKTSGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109378
Ic1cccc(c1)CNCc1sc2c(c1)CCC2	PC-id_114282817	369.264	FRVMZBVXWQRPIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109379
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330578,MCULE-1234141563	369.266	AEZLBFAJNIYWDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109381
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328798,MCULE-9644233834,PC-id_7475001	369.266	UQMIXSUJWFXPRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109382
Clc1cc(Cl)c(CNC(=O)C2COc3ncsc23)c(c1)C1CC1	BindingDB-id_412893,BindingDB_PC-id_78318420,SCHEMBL15903458,PC-id_78318420	369.266	RGAKGPSSFKSYJF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-109383
Clc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC)cc(Cl)c1	PC-id_7474983	369.266	AFQSSBYOAGAHPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109384
Clc1c(CC(=O)NNC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_27684461	369.266	GPHFMIBAVIJDSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109385
Clc1c(CC(=O)NNC(=O)c2sc3CCCc3c2)c(Cl)ccc1	PC-id_29763776	369.266	HQPSGDAWDKGCFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109386
Clc1c(NC(=O)CNC(=O)c2sc3CCCc3c2)cc(Cl)cc1	PC-id_9152344	369.266	YGVGQOIRIWQQEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109387
NC(=O)c1c(NC(=O)Cc2ccc(Cl)c(Cl)c2)sc2c1CCC2	CoCoCo_3218615,EMOLS-id_16786764,MCULE-4839481559,PC-id_40618446,ZINC22_6480311	369.266	AMLACIRPNMUYRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109388
NC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc2c1CCC2	EMOLS-id_3426796,CoCoCo_3218618,PC-id_4792524,ZINC22_6509360,MCULE-2049322825	369.266	NWFJDZPJEHULFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109389
Brc1c(C(O)c2sc3c(CCC3)c2)cc(OC)c(OC)c1	PC-id_61089097	369.273	VSNSKKUKUVQTOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109390
COc1cc(Br)c(cc1C(c1sc2c(c1)CCC2)O)OC	PC-id_105056994	369.273	WVUNUPCIPKJVKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109391
COc1ccc(c(c1Br)OC)C(c1sc2c(c1)CCC2)O	PC-id_116466131	369.273	VDEQLMDTAOISLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109392
Brc1c(C(N)c2sc3CCCc3n2)cc(OC)c(OC)c1	PC-id_61331291	369.277	RUSLDOFBXVAREC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109393
Brc1cc(C(NC(C)C)c2sc3CCCc3n2)ccc1F	PC-id_61334839	369.295	ROMHQSNUMCEAGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109394
Brc1cc(C(NCCC)c2sc3CCCc3n2)ccc1F	PC-id_61335387	369.295	NOOJLZDOSCWLHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109395
Brc1cc(C(NC(C)C)c2sc3CCCc3n2)c(F)cc1	PC-id_61334642	369.295	ZZAQDIQLXGMVRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109396
Brc1cc(C(NCCC)c2sc3CCCc3n2)c(F)cc1	PC-id_61335191	369.295	CUJOHCBIIPJKJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109397
Brc1cc(F)c(C(NCCC)c2sc3CCCc3n2)cc1	PC-id_61334005	369.295	FYRJMXQRUNBFIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109398
Brc1cc(F)c(C(NC(C)C)c2sc3CCCc3n2)cc1	PC-id_61335811	369.295	JAFLUMVUJPWMIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109399
Brc1c(F)cc(C(NC(C)C)c2sc3CCCc3n2)cc1	PC-id_81432013	369.295	HMSOZSBSRROXGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109400
Brc1c(F)cc(C(NCCC)c2sc3CCCc3n2)cc1	PC-id_81432098	369.295	IBZDTLUZOFSMKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109401
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)O)C(=O)OCc1ccccc1	MCULE-1752097786,EMOLS-id_324343146	369.295	HBLFHPZGNQILPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109402
CCCNC(c1cc(F)ccc1Br)c1sc2c(n1)CCC2	PC-id_108404448	369.295	XWUHJVJJIGUNRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109404
CC(NC(c1ccc(cc1Br)F)c1sc2c(n1)CCC2)C	PC-id_108264053	369.295	QLNCQEVFNSLBCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109405
CC(NC(c1cc(F)ccc1Br)c1sc2c(n1)CCC2)C	PC-id_108404470	369.295	NMMHKBHEMFKYHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109406
OC(=O)C1N(Cc2nn(CC(F)(F)F)cc12)C(=O)OCc1ccccc1	MCULE-7170413529,EMOLS-id_259640425	369.295	UQMBRTYEEQCMJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109407
Brc1sc(C(=NNC(=O)c2sc3CCCc3c2)C)cc1	PC-id_85015486	369.3	GCEWWKUQROMKOP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109408
C1C(=Cc2c1c(nn2Cc1ccccc1)C#N)OS(=O)(=O)C(F)(F)F	SCHEMBL5530279,PC-id_87850163	369.318	APVKTGWMSNBNTQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-109409
C1C(=Cc2c1n(nc2C#N)Cc1ccccc1)OS(=O)(=O)C(F)(F)F	SCHEMBL5523981,PC-id_87849045	369.318	CVSRBXNFMYTZBP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-109410
CCn1nc(c(c1CC(c1sc2c(c1)CCC2)O)Br)CC	PC-id_115816177	369.32	VIWFHTWWNRZNAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109411
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)Nc1ccccc1F	PC-id_97407318	369.322	UQAAGTOJDMTCGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109412
CN(CCn1ncc(c1C(c1sc2c(c1)CCC2)N)Br)C	PC-id_105040977	369.323	RDGMQLMEXVBHAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109413
NNC(c1sc2c(c1)CCC2)Cc1n(CC)nc(c1Br)C	PC-id_105316688	369.323	WBWMXVMEUAVZCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109414
NNC(c1sc2c(c1)CCC2)Cc1n(C)nc(c1Br)CC	PC-id_105314910	369.323	BFSWCGPQFPWLBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109415
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2OC)OC)n1	MCULE-9982949988,BAS-01939646,ZINC22_869817,PC-id_1129745,EMOLS-id_1359689,CoCoCo_224973	369.338	APUFCUMGOBCQSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109416
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(c(OC)c2)OC)n1	MCULE-9082453554,PC-id_1129741,ZINC22_869813,BAS-01939638,CoCoCo_224965,EMOLS-id_1359673	369.338	WAZZPEPBTMSCSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109417
O=C(C(C(C(F)(F)F)(c1ccccc1)O)O)NC1CC(n2c1ncc2)C	EMOLS-id_319980015,MCULE-7332010576	369.338	MFKXIQSUGJDPGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109418
FC(F)(F)c1cc(NC(=O)NCc2n3CCCc3nn2)c(OCC)cc1	PC-id_47749823	369.342	SDPAHKGBCFZDGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109419
Cc1sc(cc1Br)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_102843080	369.343	GAXMVLIUDJTRQY-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-109420
Fc1ccc(c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_50913332,SCHEMBL1228132	369.346	QMDDMCVXYCYGRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109421
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)NCc1ccc(o1)C	PC-id_97525809	369.346	QOPIFKBIVZAGNC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-109422
c1(ccc(F)c(F)c1F)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-7279840286,EMOLS-id_327923318	369.358	KTVUXVSHQOHUKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109423
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OC	TIMTEC376201,SPECS-id_AK-968/15253733,CoCoCo_6921457,ZINC22_673162,MCULE-4755618834,PC-id_1012289,EMOLS-id_5125234	369.358	PFHDFYNSLWECPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109424
CSc1cc2n(c1C(=O)c1ccc(C(F)(F)F)cc1)CCC2C(=O)O	SCHEMBL10811422,PC-id_13687509,CHEMBL19983	369.358	GKDHKWUKNZQSRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109425
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1nnc[nH]1)c2=O	MCULE-1022871070	369.358	IFJYWUKHAAJURN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109426
O=C(COc1ccccc1/C=c/1sc2ncnn2c1=O)Nc1nnc[nH]1	PC-id_117588422,ZINC22_256055479	369.358	IFJYWUKHAAJURN-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109427
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccccc1C(F)(F)F	ZINC22_5308765,PC-id_4803440,CoCoCo_2840981,EMOLS-id_3464244,MCULE-1954253700	369.358	MPJCWSALZABIRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109428
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C(F)(F)F	PC-id_7623820	369.358	DEAIAEMIGIHRJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109429
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(F)(F)F	PC-id_7623863	369.358	FFVBWQNNNADFOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109430
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(F)c(F)c(F)cc1)C	PC-id_16505629	369.358	SEPHPXGEVFKMEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109431
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(F)c(F)c(F)cc1)C	PC-id_7238873	369.358	SEPHPXGEVFKMEV-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109432
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(F)c(F)c(F)cc1)C	PC-id_7238874	369.358	SEPHPXGEVFKMEV-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109433
COc1c(F)cccc1C(=O)N1Cc2c(C1)cnn2Cc1ccc(cc1)F	MCULE-8613519274,PC-id_56746814,EMOLS-id_36584926	369.365	VACLISGAPIRXCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109434
OC(=O)NS(=O)(=O)c1c(sc2c1OCO2)C(=O)Cc1ccccc1	PC-id_139800388	369.37	KHAWVRYGDJWMSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109435
O=c1[nH]c(=O)[nH]c(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109489	369.375	PBQLMGDAOQUGFV-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-109436
c1(C(F)(F)F)c2CCCc2n(CC(=O)N(C)C(C)CCc2ccco2)n1	TIMTEC459769,SCHEMBL1890907,MCULE-1982245072,EMOLS-id_8867263,PC-id_19590888	369.381	SUPOTTVAQVLYOB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109437
C[C@@H](CCc1ccco1)N(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_51853109,ZINC22_36613761	369.381	SUPOTTVAQVLYOB-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109438
C[C@H](CCc1ccco1)N(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_51853110,ZINC22_36613762	369.381	SUPOTTVAQVLYOB-GFCCVEGCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109439
CC(N(C(=O)CC1CCc2c1c(n[nH]2)C(F)(F)F)C)CCc1ccco1	PC-id_66874640,SCHEMBL1006988	369.381	MAONVBFEQXQGQI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109440
Cn1nc2c(c1CNC[C@@H](O)COc1ccc(C(F)(F)F)cc1)CCC2	ZINC22_921592636	369.381	AXOBYMRRLCRTHW-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109441
Cn1nc2c(c1CNC[C@H](O)COc1ccc(C(F)(F)F)cc1)CCC2	ZINC22_921592641	369.381	AXOBYMRRLCRTHW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109442
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cc(C)n(CCCC)n2)n1	EMOLS-id_8867539,PC-id_19591018,MCULE-2222494242,ZINC22_20607528	369.385	VNXYQFCSUBEDQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109443
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cc(nn2CCCC)C)n1	EMOLS-id_8867709,MCULE-3034799536,ZINC22_20607526,PC-id_19591099	369.385	BGRUUSJZVNENJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109444
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC(C)Cn2c(C)ccn2)n1	MCULE-6689406819,EMOLS-id_8867415,TIMTEC405793,PC-id_19590959	369.385	QMIMEVNIJHYBAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109445
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC(C)Cn2ccc(C)n2)n1	TIMTEC324937,PC-id_19591171,EMOLS-id_8867880,MCULE-2182566409	369.385	NABGRJRXNGRIPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109446
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)Cn2c(C)cc(C)n2)n1	EMOLS-id_8867421,MCULE-3999719870,PC-id_19590962,TIMTEC171025	369.385	GKNBQCVNLFKJMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109447
Cc1cc(C)n(C[C@H](C)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_20607521,PC-id_29092445	369.385	GKNBQCVNLFKJMS-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-109448
Cc1cc(C)n(C[C@@H](C)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_20607522,PC-id_29092446	369.385	GKNBQCVNLFKJMS-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109449
Cc1ccn(C[C@@H](C)CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_20607533,PC-id_29092449	369.385	NABGRJRXNGRIPJ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-109450
Cc1ccn(C[C@H](C)CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_20607534,PC-id_29092450	369.385	NABGRJRXNGRIPJ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109451
Cc1ccnn1C[C@@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_29092447,ZINC22_20607530	369.385	QMIMEVNIJHYBAM-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-109452
Cc1ccnn1C[C@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607532,PC-id_29092448	369.385	QMIMEVNIJHYBAM-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109453
CCC(C(=O)Nc1cc(C)n(CC)n1)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867237,PC-id_19590875,MCULE-5540374720	369.385	LAGGCADMSRTVPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109454
CCC(C(=O)NC(C)c1ccn(C)n1)n1nc(c2CCCc12)C(F)(F)F	MCULE-5060407790,EMOLS-id_8867896,TIMTEC399674,PC-id_19591179	369.385	QFPZIGBTPFNKJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109455
CCC(C(=O)NC(C)Cn1cccn1)n1nc(c2CCCc12)C(F)(F)F	TIMTEC196577,EMOLS-id_8867279,PC-id_19590896,MCULE-1192646760	369.385	HNGPSSOFYJZRTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109456
CCC(C(=O)NCCn1cc(C)cn1)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8868050,MCULE-9726738682,PC-id_19591253,TIMTEC383044	369.385	PNACHEOTAUUWQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109457
CC[C@H](C(=O)Nc1cc(C)n(CC)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092536,ZINC22_20607647	369.385	LAGGCADMSRTVPA-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109458
CC[C@@H](C(=O)Nc1cc(C)n(CC)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607646,PC-id_29092535	369.385	LAGGCADMSRTVPA-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109459
CC[C@@H](C(=O)NCCn1cc(C)cn1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607698,PC-id_29092579	369.385	PNACHEOTAUUWQW-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109460
CC[C@H](C(=O)NCCn1cc(C)cn1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607699,PC-id_29092580	369.385	PNACHEOTAUUWQW-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109461
CC[C@@H](C(=O)N[C@@H](C)c1ccn(C)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092559,ZINC22_20607675	369.385	QFPZIGBTPFNKJJ-GWCFXTLKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109462
CC[C@@H](C(=O)N[C@H](C)c1ccn(C)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092561,ZINC22_20607678	369.385	QFPZIGBTPFNKJJ-MFKMUULPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109463
CC[C@H](C(=O)N[C@@H](C)c1ccn(C)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607676,PC-id_29092560	369.385	QFPZIGBTPFNKJJ-GXFFZTMASA-N	00000010100000000001000010000000000000000000000000000000	25-01-109464
CC[C@H](C(=O)N[C@H](C)c1ccn(C)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607679,PC-id_29092562	369.385	QFPZIGBTPFNKJJ-ZWNOBZJWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109465
CC[C@@H](C(=O)N[C@H](C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092545,ZINC22_20607658	369.385	HNGPSSOFYJZRTB-YPMHNXCESA-N	00000010100000000001000010000000000000000000000000000000	25-01-109466
CC[C@@H](C(=O)N[C@@H](C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607656,PC-id_29092543	369.385	HNGPSSOFYJZRTB-AAEUAGOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109467
CC[C@H](C(=O)N[C@@H](C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607657,PC-id_29092544	369.385	HNGPSSOFYJZRTB-WCQYABFASA-N	00000010100000000001000010000000000000000000000000000000	25-01-109468
CC[C@H](C(=O)N[C@H](C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607659,PC-id_29092546	369.385	HNGPSSOFYJZRTB-DGCLKSJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109469
CCCn1ccc(NC(=O)C(CC)n2nc(c3CCCc23)C(F)(F)F)n1	PC-id_19590897,MCULE-4503617601,EMOLS-id_8867281	369.385	WIZHNGHWYAOTRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109470
CCCn1ccc(NC(=O)[C@@H](CC)n2nc(C(F)(F)F)c3c2CCC3)n1	PC-id_29092493,ZINC22_20607584	369.385	WIZHNGHWYAOTRV-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109471
CCCn1ccc(NC(=O)[C@H](CC)n2nc(C(F)(F)F)c3c2CCC3)n1	PC-id_29092494,ZINC22_20607586	369.385	WIZHNGHWYAOTRV-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109472
c1(NC(=O)c2ccc(c(F)c2)F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_5065641,EMOLS-id_5686958,MCULE-8237117260,ZINC22_5077884,PC-id_7484575	369.386	JTOAQZZJKYZZMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109473
c1(NC(=O)c2cc(n(C(F)F)n2)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_2733196,EMOLS-id_4046727,CoCoCo_6594403,MCULE-3973937815,PC-id_17025374	369.386	PZPTUDYVYGUCHS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109474
O=C(c1c(F)cccc1F)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	CHEMBL1871497,ChEMBL-DNDi_CHEMBL1871497,PC-id_3297969,CoCoCo_2666494	369.386	KPWUDNXATWCQQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109475
Cc1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)ccc1F	EMOLS-id_324838644	369.388	KDLAJUHCRHYGCK-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109476
Fc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1F	EMOLS-id_324838649	369.388	OBUQUNRRWIBGKM-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109477
Fc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c(F)c1	EMOLS-id_324839161	369.388	DBDZACWYBWLLHB-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109478
Fc1ccc(F)c(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324840190	369.388	HFAZCBULUNUUDE-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109479
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)CCc1ccccc1	MCULE-3233440371	369.388	DBDZACWYBWLLHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109480
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)Cc1ccc(F)cc1	MCULE-1100885899	369.388	KDLAJUHCRHYGCK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109481
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)CCc1ccccc1	MCULE-4927394774	369.388	OBUQUNRRWIBGKM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109482
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CCc1ccccc1	MCULE-5910849575	369.388	HFAZCBULUNUUDE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109483
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)CCC1=NNC(=O)CC1	ZINC22_299788461,PC-id_118780309,MCULE-7398281423,EMOLS-id_68910963	369.393	PNJNVCGJXYKPTB-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-109484
c1(cc([nH]n1)COc1ccccc1F)C(=O)N(C)Cc1c2CCCc2[nH]n1	EMOLS-id_43080341,PC-id_56864590,MCULE-2125788757,ZINC22_71589477	369.393	IOZGGJHVOZLKRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109485
Cc1cc(=O)n(CCN2Cc3cnn(Cc4ccc(F)cc4)c3C2)c(O)n1	ZINC22_253536019,PC-id_91844027,EMOLS-id_55710834,MCULE-4683879366	369.393	CSAFMVIRNIMPQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109486
Fc1cc(OCc2[nH]nc(C(=O)N(Cc3n[nH]c4c3CCC4)C)c2)ccc1	PC-id_56753784	369.393	BPSTZSOPJJHZKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109487
C1C(Sc2nc(cn12)[N+](=O)[O-])COc1ccc(cc1)Oc1ccccc1	PC-id_137637103	369.394	SBGAHYUOJSRTHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109488
c1(NC(=O)COCc2noc(c3ccco3)c2)sc2c(CCC2)c1C#N	CoCoCo_2357684,MCULE-5110571987,EMOLS-id_16194632,PC-id_20906409	369.394	NDQJZTHORUAGFI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-109489
Cc1oc(c2ccccc2[N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_56661907,CHEMBL1821937	369.394	WZRJXWMGEUXQNW-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-109490
N#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_2415091,EMOLS-id_3175421,ZINC22_3299506,CoCoCo_2918219,MCULE-1680875921	369.394	KYIYTBALYYRUBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109491
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1nnc(c2ccccc2)o1	PC-id_7238799,ZINC22_4462278,MCULE-3833983490,EMOLS-id_31303710	369.394	QDIJKEBMHZCBBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109492
O=C(O)c1cn(Cc2cn3c(n2)SCC3)cc(Oc2ccccc2)c1=O	EMOLS-id_32220832,ZINC22_55042258,PC-id_50950390,MCULE-6514376315	369.394	XHTRHMAJBVVYBS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109493
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C#N)C(=O)NC(=O)OC	PC-id_7521442	369.394	QYPPIRDXLXOLRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109494
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)Nc1cn(nn1)C(C)C	PC-id_74249707,EMOLS-id_49678882,ZINC22_97785443,MCULE-8251851992	369.396	JYRFBIQOUDNWOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109495
CCn1cc(C#N)c(=O)n(CC(=O)Nc2sc3c(c2C#N)CCC3)c1=O	CoCoCo_4769408,EMOLS-id_24028992,ZINC22_31794434,PC-id_39020360,MCULE-9776181228	369.398	IIPSBLMVYLHCRJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-109496
O=C(C(n1nc(ccc1=O)c1cccnc1)C)Nc1onc2c1CSC2	PC-id_121101072	369.398	LUQRQAVBNZFZMT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-109497
O=C(C(n1nc(ccc1=O)c1ccncc1)C)Nc1onc2c1CSC2	PC-id_121101329	369.398	GREABHBBQKETRN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-109498
c1(NC(=O)c2ccccc2C(F)(F)F)c2CSCc2nn1C(C)(C)C	MCULE-6661997695,ZINC22_4079167,PC-id_5067051,SCHEMBL4882943,CoCoCo_6415084,ChEMBL-DNDi_CHEMBLF0453-0506,EMOLS-id_5679816	369.405	ARTGNFIIXUKJOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109499
N#Cc1c(NC(=O)C(N2CCC(=CC2)C(F)(F)F)C)sc2c1CCC2	EMOLS-id_98103606	369.405	ZAILLDHTZCPMGO-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-109500
O=C(c1cccc(c1)C(F)(F)F)Nc1c2CSCc2nn1C(C)(C)C	SCHEMBL4880697,CoCoCo_4972749,PC-id_4448855,ChEMBL-DNDi_CHEMBLF0396-0305,EMOLS-id_5426417	369.405	JTWQFFZZRFJUFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109501
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1ccc(cc1)C(F)(F)F	PC-id_7483967	369.405	IXPDQGWKJGDDKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109502
FC(F)(F)c1ccc(N2CCN(Cc3nc4c(s3)CCC4)CC2)nn1	MCULE-9523486980,PC-id_139028658,EMOLS-id_320317088,ZINC22_1776008741	369.408	OKNFQLBFWQYCQM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-109503
s1c2CCCc2cc1C(=O)NNC(=O)c1c(SC(F)F)nccc1	PC-id_24540839	369.409	FPPPNHAJGDFZGZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-109504
CCOC(=O)C1(CCn2c1ccc2C(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_102048216	369.411	TVSNPYQVMJDPPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109505
CCOC(=O)C1(CCn2c1ccc2C(=O)c1cccc(c1)C)C(=O)OCC	PC-id_19914080,SCHEMBL9688038	369.411	QLENWGCEEJOGNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109506
COC(=O)c1cc2c(n1C(=O)OC(C)(C)C)CC(C2=O)Cc1ccccc1	SCHEMBL1056066,PC-id_59180230	369.411	CWYZSNGMZANGJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109507
O=C([C@@]1(C)CCn2c1ccc2C(=O)c1ccccc1)O[C@H]1COC(O1)(C)C	PC-id_139790256	369.411	ZDHWHLBYOXYZHQ-UTKZUKDTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109508
O=C(O)CCCCCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_247425665	369.411	SJVKODBBFQHRII-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109509
O=C(O)CCCCCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_247425672	369.411	SJVKODBBFQHRII-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109510
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1csc(C(=O)C)c1	MCULE-5029855816,PC-id_77081528,EMOLS-id_49871590,ZINC22_215192890	369.413	VXMIGHLZSUKBGS-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-109511
c12CN(Cc1nn(CC1CC1)c2C(=O)OCC)C(=O)OCc1ccccc1	MCULE-6215835628,EMOLS-id_324348001	369.414	UZMOBSKNWBFBAJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-109512
c12CN(Cc1nn(CC1CCC1)c2C(=O)OC)C(=O)OCc1ccccc1	MCULE-2310672185,EMOLS-id_324344941	369.414	HWDAYDKUYCNVCY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-109513
c12CN(Cc1nn(CC1CCCC1)c2C(=O)O)C(=O)OCc1ccccc1	EMOLS-id_324341866,MCULE-6714719831	369.414	BRVTWAJWOYDZQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109514
COC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)OC)C(=O)c1n[nH]c2c1CCC2	PC-id_16668707,ZINC22_12116203,AEM-11794239	369.414	MYINLRVFSYVNIH-JKSUJKDBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109515
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(CCC(=O)N)C(=O)O	EMOLS-id_328214392,MCULE-8522694427	369.414	DOLSXWAHZAKDRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109516
O(C(=O)C1C(CN(C1)C(=O)c1n[nH]c2c1CCC2)c1ccc(OC)cc1)C	PC-id_73303526	369.414	MYINLRVFSYVNIH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109517
Cc1nc2c(s1)CN(C2)C(=O)Nc1c(ccc(n1)c1ccc(cc1)F)N	PC-id_137495584,SCHEMBL20738555	369.416	INMKVUZXVPJQOY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-109518
CC(C(C1N=C(C(C1C)SC1C[n+]2n(C1)cnc2)C(=O)O)C(=O)O)O	PC-id_101678085	369.416	NYZCCOSAXHPXIQ-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-109519
CC[N+]1(c2c(C(=N1)NC(=O)NC(C)(C)C)sc(c2)C(=O)OC)C(=O)O	PC-id_91342925	369.416	JMMKCEUTSQTBFT-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-109520
CN(CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C	PC-id_69479634,SCHEMBL5536532	369.416	NUZWIBITHNAEEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109521
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cc2n(C1)cnc2O)C(=O)O	PC-id_14124254	369.416	RCUCZPVIHBTVMX-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-109522
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1Cc2n(C1)cnc2O)C(=O)O	PC-id_57255558	369.416	RCUCZPVIHBTVMX-SELDCXSVSA-N	00001011100000000001001010000000000000000000000000000000	25-01-109523
S(C1=C(N[C@H]([C@H]1C)[C@@H]([C@H](O)C)C(=O)O)C(=O)O)[C@H]1C[n+]2n(C1)cnc2	PC-id_24762196	369.416	NNMZLHRXLIBHJJ-YJFSRANCSA-O	00000011100000000001000010000000000000000000000000000000	25-01-109524
c12CN(Cc1cnn2CCO)C(=O)Nc1ccc(cc1)N1C(C)CCC1=O	PC-id_118770032,EMOLS-id_68889769,MCULE-8643598685	369.418	RLSJBSLICQZINX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109525
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)Nc1ccccc1OCC	EMOLS-id_207862923,MCULE-3451793628	369.418	PPFVEMXCXFMXDU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-109526
c1(cn(C)nc1OC)C(=O)N(Cc1ccco1)Cc1c2CCCc2n(C)n1	MCULE-5750874863,EMOLS-id_50145238,PC-id_86266532	369.418	MQOCNTXVTMPBHX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109527
c1(C(=O)N2CCN(CC2)Cc2ccc(cc2)N(=O)=O)c2CCCc2n(C)n1	MCULE-9283663718,EMOLS-id_320481803,PC-id_84467401	369.418	DITGCYZFVNZEAQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109528
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)C1CCOCC1	EMOLS-id_316323121,MCULE-9746370478	369.418	TVMGMBRHCGKVKL-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-109529
c1(C(=O)NCCCN2CCCC2=O)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-9551136434,EMOLS-id_316329268	369.418	YJUWFUSYUYQUPS-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109530
c1(C(=O)NCCCN2CCCC2=O)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-8594620245	369.418	YJUWFUSYUYQUPS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109531
Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2nnc3n2CCC3)OCC(=O)N1C	PC-id_134698927,ZINC22_1529109496,EMOLS-id_316146622,MCULE-8588782800	369.418	AZDSTNWUVWHRSN-MSOLQXFVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109532
C[C@@H]1CCC(=O)N1c1ccc(NC(=O)N2Cc3cnn(CCO)c3C2)cc1	ZINC22_299761448	369.418	RLSJBSLICQZINX-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109533
C[C@H]1CCC(=O)N1c1ccc(NC(=O)N2Cc3cnn(CCO)c3C2)cc1	ZINC22_299761453	369.418	RLSJBSLICQZINX-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109534
CN(C1CCN(CC1)C(=O)c1oc2c(n1)CN(C2)C(=O)c1cccnc1)C	PC-id_97407313	369.418	AUZRSJGUYCTIGO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-109535
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4n(n3)CCO4)cc2)C1	ZINC22_810183312	369.418	VBDAYBSHASEITO-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109536
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4n(n3)CCO4)cc2)C1	ZINC22_810183313	369.418	VBDAYBSHASEITO-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109537
O1C2(Oc3c1cc(NC(=O)NCc1n4CCCc4nn1)cc3)CCCCC2	GD-id_ZINC43907468,PC-id_60448381	369.418	FNVIYYNJVVOWNV-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-109538
O1C(CCC1)C(=O)Nc1cc(C(=O)NCCc2n3CCCc3nn2)ccc1	EMOLS-id_31935478,PC-id_51114967,MCULE-7623718188	369.418	NRZTUTOYACVFPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109539
Oc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101414194	369.418	NMNWXGCNGUMBED-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109540
Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101581026	369.418	TUBNFIVTWGNWME-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109541
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(Cl)cc1	PC-id_3586931	370.25	GGYNWEURCOTLJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109889
O=C(c1cc2n(n1)C[C@H](C2)Oc1ccncc1)N1CCCN(CC1)C(=O)C	EMOLS-id_316326704,MCULE-7204576186	369.418	OBIULMUUCSSNSQ-KRWDZBQOSA-N	00000010100000101101000010000000000000000000000000000000	25-01-109542
O=C(N1CCN(CC1)C(=O)c1ccccc1O)NC1CC(n2c1ncc2)C	EMOLS-id_101436663	369.418	JSGCZLQTGNPLOX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109543
O=C(NCCc1nnc2n1CCC2)c1cccc(NC(=O)[C@@H]2CCCO2)c1	PC-id_52178104,ZINC22_42502819	369.418	NRZTUTOYACVFPN-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109544
O=C(NCCc1nnc2n1CCC2)c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC22_42502823,PC-id_52178105	369.418	NRZTUTOYACVFPN-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109545
Cc1ccc(cc1)NC(=O)c1c(c(c2n1CCC2)C#N)N=Cc1cnccc1	BindingDB_PC-id_137653651,PC-id_137653651	369.419	ABDAUFMYOKGPIF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-109546
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)N)CCC(=O)c1cccs1	PC-id_68442026,SCHEMBL2922541	369.419	NDYMFUGGBAIEFV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109547
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1nnc2N)C(=O)O	PC-id_14124345	369.419	SIVUNEBAWIQIIF-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-109548
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1nnc2N)C(=O)O	PC-id_57028258	369.419	SIVUNEBAWIQIIF-XYYQSMIWSA-N	00001011100000000001001010000000000000000000000000000000	25-01-109549
c1(C(=O)N2CCC(CC2)n2cc(nn2)C(=O)NC2CC2)c2CCCc2[nH]n1	MCULE-9361982770,PC-id_56708665,EMOLS-id_36437138,ZINC22_67771318	369.421	TZRBBFUHAPOVIQ-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-109550
CC1CNCCN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	PC-id_145493418	369.421	ZCSVOSCPBFGLKN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-109551
CCOC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC22_326244495	369.431	CBKHRVNWACQDLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109552
s1c2c(CCC2)c(c1NC(=O)CCC(=O)OCCOC)C(=O)OCC	PC-id_17339064	369.433	MPBHVNLSWVDVFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109553
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)CCC2	EMOLS-id_48219640,ZINC22_25768999,PC-id_33040697,MCULE-3482913652	369.434	NVFHOOCJGSGLLS-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-109554
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(N2CCCC2=O)cc1	PC-id_8752712	369.434	HVWFVULQRQNTMN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-109555
s1c2CCCc2cc1C(=O)OCC(=O)c1cc(N2CCCC2=O)ccc1	PC-id_8358914	369.434	FDBKEZMEVCLHRE-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-109556
Fc1c(c2sc(C(=O)Nc3c(C#N)c4c(CCC4)s3)cn2)cccc1	MCULE-1228791509,EMOLS-id_322836410	369.436	DSOZVFRLMXXYHS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109557
n12nc(nc1sc(=Cc1sccc1C)c2=O)C=Cc1ccc(cc1)F	MCULE-3784444823	369.436	NWPXQLWCXUSXCE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109558
c1(NC(=O)COc2ccc(cc2)N(C)C(=O)C)sc2c(CCC2)c1C#N	MCULE-7215913069,EMOLS-id_320815135	369.437	MOMXMDOLTHBEQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109559
c1(NC(=O)COc2ccc(cc2)NC(=O)CC)sc2c(CCC2)c1C#N	EMOLS-id_323180741,MCULE-3676101742	369.437	IPSYAKHUEPAWMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109560
c1(NC(=O)COc2cccc(c2)NC(=O)CC)sc2c(CCC2)c1C#N	MCULE-5537919960,EMOLS-id_323183891	369.437	PRYPKVCHQBWLQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109561
c1(NC(=O)COc2cn(c(cc2=O)C)CC=C)sc2CCCc2c1C#N	MCULE-6776626326,EMOLS-id_331629251	369.437	WHEHHCVQKGCUQQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-109562
c1(NC(=O)COCC(=O)Nc2cccc(C)c2)sc2c(CCC2)c1C#N	PC-id_84405556,EMOLS-id_181305914,MCULE-7183284823	369.437	QMNNSPAARUUSAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109563
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)OCc1c(C)noc1C	EMOLS-id_181483284,PC-id_46565012,MCULE-7837260401	369.437	YOELALWOTBFEDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109564
Cc1cc(C#N)cc(C)c1OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_72298264,MCULE-9553775850,EMOLS-id_42907291,PC-id_72124343	369.437	USSUOGOESKTVQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109565
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCC3)C1=O	PC-id_25398219,CoCoCo_4089991,ZINC22_12616010	369.437	VWYVWTWPXAHYML-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-109566
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCC3)C1=O	PC-id_25398220,ZINC22_12616014,CoCoCo_4089992	369.437	VWYVWTWPXAHYML-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109567
C(Cc1ccc(cc1)O)(NC(=O)C)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5997134208,EMOLS-id_328138500	369.437	SRWUNIKMNXMEJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109568
CCC1(NC(=O)N(C1=O)NC(=O)c1sc2c(c1)CCC2)c1ccccc1	EMOLS-id_11900496,PC-id_17398983,MCULE-9840588174	369.437	VWYVWTWPXAHYML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109569
CC(C)n1nc2c(c1/C=c/1s/c(=CC(=O)c3ccco3)/nc1O)CCC2	ZINC22_2325854692	369.437	QGNLEKDHUBHMDS-XFQWXJFMSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109570
O=C(c1ccc(cc1)NC(=O)C1CC1)NNC(=O)c1sc2c(c1)CCC2	PC-id_27684334,MCULE-4607592655,EMOLS-id_29668568,CoCoCo_3440012	369.437	OEXLUEIOTWGWNN-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-109571
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)N1C(=O)NC(C1=O)(C)C	EMOLS-id_101257756	369.437	FQDDIZYOZSGASD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109572
O=C(c1sc2c(c1)CCC2)NNC1CC(=O)N(C1=O)c1ccccc1C	PC-id_4993057,MCULE-3884814560,EMOLS-id_3292206	369.437	ZSCGHCYFLYKPLM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-109573
O=C(c1sc2c(c1)CCC2)NN[C@H]1CC(=O)N(C1=O)c1ccccc1C	CoCoCo_3806067,PC-id_2492758	369.437	ZSCGHCYFLYKPLM-ZDUSSCGKSA-N	00000010100000110000100010000000000000000000000000000000	25-01-109574
O=C(c1sc2c(c1)CCC2)NN[C@@H]1CC(=O)N(C1=O)c1ccccc1C	PC-id_2492755,CoCoCo_3806068	369.437	ZSCGHCYFLYKPLM-CYBMUJFWSA-N	00000010100000110000100010000000000000000000000000000000	25-01-109575
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1	PC-id_26872864	369.437	PTFKAUFJKGYHHA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-109576
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(N2CCCC2=O)ccc1	PC-id_26281108	369.437	GXKKYLYXFXGSBC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-109577
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C#N)C(=O)OCC	PC-id_24406447	369.437	GADOQXSQBNNJGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109578
s1c2c(CCC2)c(c1NC(=O)CNc1cc(ccc1)C#N)C(=O)OCC	PC-id_9101396	369.437	CHBJMUJUPNSHGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109579
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(N(C)C)cc1)C#N	PC-id_8533792	369.437	MLWDDEZXTQMGBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109580
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(N(C)C)ccc1)C#N	PC-id_8530628	369.437	TWGNKUGCKWGGNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109581
s1c2CCCc2nc1NC(=O)c1cc(OCc2c(onc2C)C)ccc1	PC-id_46565013	369.437	OMXIVPPTWPZGAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109582
S1C2N(C(=O)C2C(O)C)C(=C1SC1CC[n+]2c1nn(c2)C)C(=O)O	PC-id_76483247	369.439	UAJYESYTTWRRQF-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109583
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2n[n+](cc12)C)C(=O)O	PC-id_14124360	369.439	CGJIPOAIFUDQST-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109584
S1C2N(C(=O)C2C(O)C)C(=C1SC1C[n+]2c(nn(c2)C)C1)C(=O)O	PC-id_76502200	369.439	GEGWLRNJHIOZSN-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109585
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CC[n+]2c1nn(c2)C)C(=O)O	PC-id_57121775	369.439	UAJYESYTTWRRQF-WRDYVDRVSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109586
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2n[n+](cc12)C)C(=O)O	PC-id_57060884	369.439	CGJIPOAIFUDQST-YTCJJDFUSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109587
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1C[n+]2c(nn(c2)C)C1)C(=O)O	PC-id_57270278	369.439	GEGWLRNJHIOZSN-NXKXPMGVSA-O	00001011100000000001001010000000000000000000000000000000	25-01-109588
Cc1ccc(OCc2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1	ZINC22_22192201,MCULE-3837865512,EMOLS-id_31371071,PC-id_30094775	369.441	IAUCVTDTIKRADX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109589
Cc1nc(COc2cccc(C(=O)NCc3nnc4n3CCC4)c2)cs1	PC-id_45864943,CoCoCo_4560530,MCULE-7283382819,ZINC22_40037558,EMOLS-id_29989990	369.441	UDUHVILSPOVGFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109590
Cc1nc(COc2ccc(C(=O)NCc3nnc4n3CCC4)cc2)cs1	EMOLS-id_25003565,MCULE-1856421718,CoCoCo_4583311,PC-id_31002772,ZINC22_23307862	369.441	OCTSTIBRAFFITP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109591
CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(o1)CSc1ncccn1	PC-id_135108977	369.441	CGICCGGMSOBIPM-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-109592
COc1ccc(c2nc(CC(=O)NCc3nnc4n3CCC4)cs2)cc1	MCULE-7319713300,EMOLS-id_29605235,CoCoCo_4474391,ZINC22_30997860,PC-id_38170193	369.441	DGYNPYVDLOGANS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109593
N#Cc1c(NC(=O)c2ccnc(c2)OC2CCCCC2)nc2n1CCS2	EMOLS-id_98704764	369.441	XHAVPPRBYSMJHZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-109594
s1c(nc(C(=O)N(Cc2n3CCCc3nn2)C)c1)c1ccc(OC)cc1	PC-id_52587709	369.441	DRLCEVWWXHEMBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109595
c12SCCn1cc(CNC(=O)N1CCN(CC1)c1ncccc1C#N)n2	EMOLS-id_82733733,PC-id_119071191,ZINC22_426621854,MCULE-7945963707	369.444	XIBSLEVEBSUQTJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-109596
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)c(CC)nc(c2ncccn2)s1	EMOLS-id_324319845,PC-id_154815831,MCULE-9761789548	369.444	XUDZBDKRRFBIBR-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-109597
CCc1nc(c2ncccn2)sc1C(=O)NC[C@H]1Cc2nnc(C)n2C1	ZINC22_1857706631	369.444	XUDZBDKRRFBIBR-LLVKDONJSA-N	00000010100000100001100010000000000000000000000000000000	25-01-109598
CCc1nc(c2ncccn2)sc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1	ZINC22_1857706632	369.444	XUDZBDKRRFBIBR-NSHDSACASA-N	00000010100000100001100010000000000000000000000000000000	25-01-109599
CCc1ncc(s1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cn(n2)C)N	PC-id_135234330,SCHEMBL20392621	369.444	RQTQVHVIWARXIC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-109600
CN(C)c1nsc(c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)n1	ZINC22_584885270,EMOLS-id_177366539,MCULE-9432142226	369.444	MOABZVRCYUFVPO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109601
CCOc1ccc(cc1)C(=O)c1c(CC)cc2n1CCC2C(=O)OC(C)C	SCHEMBL11605209,PC-id_20351671	369.454	YYBCETIFCKHPDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109602
CC(OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)OC(C)C)C)C	PC-id_20351575,SCHEMBL11605133	369.454	PFKLOLGSCDVEQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109603
N#Cc1c(NC(=O)CN(Cc2ccccc2F)C2CC2)sc2c1CCC2	PC-id_8977935,CoCoCo_4131121,CoCoCo_4131120,EMOLS-id_25637829,ZINC22_7857965,MCULE-1962731586	369.456	WWQNMEBTNRKSDT-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-109604
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)Cc1ccc(F)cc1)C#N	PC-id_8905228	369.456	RZEDEJLPONRJFY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-109605
COc1ccc(C2(C(=O)NCc3n[nH]c4c3CCC4)CCCC2)cc1OC	PC-id_118776128,MCULE-9710497663,ZINC22_299786245,EMOLS-id_68902374	369.457	PTRYGPCZZQXUEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109606
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(CCCCN)C(=O)O	MCULE-6223277659,EMOLS-id_328214643	369.457	DAGXJEBKXPNPKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109607
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCC(N)C(=O)O	MCULE-8942413318,EMOLS-id_328214899	369.457	FLKZGWITYHJILQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109608
OCC1(CCCN(C1)C(=O)c1n[nH]c2c1CCC2)Cc1cccc(c1)OC	Chemmine_36058	369.457	PKURLLAULGIZJE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109609
O=C(c1sc2c(c1)CCC2)Nc1cc(sc1C(=O)O)c1ccccc1	CoCoCo_4425265,PC-id_17546660	369.457	QTZPKJPOWDAEQN-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-109610
s1c2CCCc2cc1C(=O)Oc1ccc(NC(=O)c2sccc2)cc1	PC-id_34749585	369.457	MSHLRGZAWUUFGG-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-109611
c12c(CCC1C(=O)OCC)sc(NC(=O)C1CSCCC(=O)N1)n2	PC-id_71798094,EMOLS-id_43498497,MCULE-8186971678	369.459	RMKHIFVTDWVOSB-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-109612
c1(NC(=O)CS(=O)CC(=O)NCCOC)sc2c(CCC2)c1C#N	MCULE-5481822292,EMOLS-id_320678505	369.459	FJYJQHVRUBABFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109613
Cc1cc(c(c(c1)S(=O)(=O)C)C)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-1223792189,EMOLS-id_316408840	369.459	GFFSJMJVANOBCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109614
Cc1ccc(s1)S(=O)(=O)n1nc2c(c1)CN(C2)C(=O)OC(C)(C)C	PC-id_141764707	369.459	WACDFSSHJSPLAY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109615
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3CSCCC(=O)N3)nc12	PC-id_96349708,ZINC22_77101337	369.459	RMKHIFVTDWVOSB-IUCAKERBSA-N	00000010100000000101000010000000000000000000000000000000	25-01-109616
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3CSCCC(=O)N3)nc12	PC-id_96349709,ZINC22_77101338	369.459	RMKHIFVTDWVOSB-RKDXNWHRSA-N	00000010100000000101000010000000000000000000000000000000	25-01-109617
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3CSCCC(=O)N3)nc12	PC-id_96349710,ZINC22_77101339	369.459	RMKHIFVTDWVOSB-DTWKUNHWSA-N	00000010100000000101000010000000000000000000000000000000	25-01-109618
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CSCCC(=O)N3)nc12	ZINC22_77101336,PC-id_96349707	369.459	RMKHIFVTDWVOSB-BDAKNGLRSA-N	00000010100000000101000010000000000000000000000000000000	25-01-109619
O=C(N1Cc2c(C1)cn(n2)S(=O)(=O)c1sccc1C)OC(C)(C)C	PC-id_141764715	369.459	CAPSFLHLRSSFQR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109620
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSC1CNC(C1)C(=O)O	PC-id_46893671,SCHEMBL3393696	369.459	BTGHWRBDZAMREA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109621
S1c2n(CC1)cc(n2)CCNS(=O)(=O)c1cc(OC)c(OC)cc1	PC-id_7640535	369.459	ZKVQSCPIRSCPSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109622
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(OC)ccc(OC)c1	PC-id_7640534	369.459	PJHMQPBCMBTZTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109623
S(=O)(=O)(NCCc1nc2SCCn2c1)c1c(OC)cc(OC)cc1	PC-id_7640562	369.459	QKKQBTDPSFVAOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109624
c1(CN(C)C(=O)Nc2ccc(cc2C)C(=O)NC(C)C)c2CCCc2[nH]n1	ZINC22_96135693,EMOLS-id_49147009,PC-id_72852311,MCULE-4284878967	369.461	WJFRYGPWFPSHRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109625
c1(C(=O)N2CCN(CC2)c2cccc(OC)c2)cc2n(C[C@@H](N(C)C)C2)n1	EMOLS-id_316327223,MCULE-4381494123	369.461	OITOCAWCZVVQIX-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109626
c1(C(=O)N2CCN(CC2)c2cccc(OC)c2)cc2n(CC(N(C)C)C2)n1	MCULE-7268874408	369.461	OITOCAWCZVVQIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109627
c1(C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)c2CCCc2[nH]n1	MCULE-8783324208,EMOLS-id_335135656	369.461	AKVVMSZVTXSGQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109628
c1(NC(=O)CS(=O)Cc2ccccc2C#N)sc2c(CCC2)c1C#N	MCULE-6285552931,EMOLS-id_320644083	369.461	HNQHNJVDAQTWBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109629
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1ccc(cc1)C#N	MCULE-2304325364,EMOLS-id_186636428	369.461	CWIREXCBMINLRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109630
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1cccc(C#N)c1	EMOLS-id_186650819,MCULE-8306358915	369.461	VDOREKUFRIBYQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109631
Cc1ccccc1C1(CNC(=O)NCc2nnc3n2CCC3)CCOCC1	MCULE-1282964377,PC-id_75417084,EMOLS-id_48221332,ZINC22_95369472	369.461	DRUJDCHJJUHWKU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109632
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324872205	369.461	IEYDCNQEPMSFFC-ZSOIEALJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109633
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)c1	EMOLS-id_324884482	369.461	ODDUNTOSVCVHNI-NVNXTCNLSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109634
Cc1cccc(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)c1C	EMOLS-id_324878336	369.461	FAISSEFGGGHHGM-NVNXTCNLSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109635
Cc1ccc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)cn1	ZINC22_2055719490,EMOLS-id_313736659	369.461	SGNKMSJBHSGJDN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-109636
CC1OC(C)CN(C1)C(=O)c1ccc(cc1)CNC1CC(n2c1ncn2)C	MCULE-8070202257,EMOLS-id_258182001	369.461	GOXPLFAOOFWNSU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109637
CCc1cccc(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)c1	EMOLS-id_324887566	369.461	LFCWMQVSPPSFDN-DHDCSXOGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109638
CCc1ccc(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1	EMOLS-id_324886533	369.461	IDFRYOBWNPFLRS-DHDCSXOGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109639
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)C1(C#N)CCCC1)C2	EMOLS-id_313735126,ZINC22_1565554393	369.461	YTSZLJUMIJSGLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109640
CCOc1ccc(cc1NC1CC(n2c1ncn2)C)C(=O)N1CCCCC1	EMOLS-id_316583917	369.461	GVKOJQPJRWTNDP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109641
CCOc1cc(ccc1NC(=O)c1n[nH]c2c1CCC2)N1CCN(CC1)C	EMOLS-id_99807636	369.461	JRTXFUUKDZELMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109642
CCOc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324832507	369.461	KYPPUABNHVPQPB-GDNBJRDFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109643
CCOc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324835568	369.461	CEQXBMQWLNSGEH-GDNBJRDFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109644
CN(C(=O)c1ccc(nc1)OC1CCN(CC1)Cc1nn2c(c1)CCC2)C	MCULE-3100919447,EMOLS-id_320314520	369.461	GBCQVDRBELNIPG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-109645
COc1ccc(cc1)NC(=O)N1Cc2c(C1)c(nn2C)CN1CCCCC1	PC-id_97413575	369.461	AAMHQWBOUUPPLV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109646
COc1cccc(NC(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)c1	ZINC22_96084520,PC-id_97405346,EMOLS-id_46182049	369.461	XIVQNZAGJNYIMR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109647
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)Cc1cccs1	MCULE-5102762047	369.461	KYPPUABNHVPQPB-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109648
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)Cc1cccs1	MCULE-5696464530	369.461	CEQXBMQWLNSGEH-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109649
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCCOc1ccccc1	MCULE-9418622211	369.461	XHPZPOOAQRHCAB-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109650
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1ccc(cc1)CC	MCULE-2564794501	369.461	IDFRYOBWNPFLRS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109651
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1cc(C)ccc1C	MCULE-4225027773	369.461	ODDUNTOSVCVHNI-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109652
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1cccc(C)c1C	MCULE-7574712625	369.461	FAISSEFGGGHHGM-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109653
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1c(C)cccc1C	MCULE-7718523494	369.461	IEYDCNQEPMSFFC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109654
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1cccc(CC)c1	MCULE-3313820714	369.461	LFCWMQVSPPSFDN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109655
O=c1n2nc(CCCOc3ccccc3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324852987	369.461	XHPZPOOAQRHCAB-PTNGSMBKSA-N	00000000100100110001000010000000000000000000000000000000	25-01-109656
O=C(c1sc2c(c1)C(=Cc1[nH]ccc1)C(=O)N2)NCCc1cccs1	PC-id_59043142,SCHEMBL7146734	369.461	WNONCYMIAGUBFP-UHFFFAOYSA-N	00000010110100000000000010000000000000000000000000000000	25-01-109657
O=C(c1sc2c(c1)/C(=C/c1[nH]ccc1)/C(=O)N2)NCCc1cccs1	SCHEMBL7146729	369.461	WNONCYMIAGUBFP-LCYFTJDESA-N	00000010110100000000000010000000000000000000000000000000	25-01-109658
O=C(c1sc2c(c1)/C(=Cc1[nH]ccc1)/C(=O)N2)NCCc1cccs1	SCHEMBL7146732,PC-id_22976055	369.461	WNONCYMIAGUBFP-UKTHLTGXSA-N	00000010110100000000000010000000000000000000000000000000	25-01-109659
O=C(NCc1nnc2n1CCC2)Nc1cccc(COC2CCCCC2)c1	PC-id_71884396,EMOLS-id_44554445,MCULE-5489014889,ZINC22_84374453	369.461	CKXPXJZTABMDGO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109660
s1c2CCCc2nc1NC(=O)c1ccc(NC(=O)c2sccc2)cc1	PC-id_33040065	369.461	ISZZLZSSTHMDPF-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-109661
s1c2CCCc2nc1NC(=O)c1cc(NC(=O)c2sccc2)ccc1	PC-id_33040107	369.461	YDDCRWWISXQEQB-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-109662
CCS(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_98898318	369.462	WSQYQBIAUUEZAU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109663
O=S(=O)(c1cnc2n1CCC2)Nc1scc(n1)CN1CCOCC1	EMOLS-id_97704899	369.462	LFYUDQFONDFJIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109664
s1c2c(CCC2)c(c1NC(=O)CSC1NC(N)CC(=O)N1)C(=O)N	PC-id_78258501	369.462	GEOPVWZRHWOAKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109665
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3CCn4ccnc34)C2)c1C	ZINC22_1875397729	369.464	LRBSJLBNVQBXLB-CABCVRRESA-N	00000010100000100001100010000000000000000000000000000000	25-01-109666
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H]3CCn4ccnc34)C2)c1C	ZINC22_1875397730	369.464	LRBSJLBNVQBXLB-HUUCEWRRSA-N	00000010100000100001100010000000000000000000000000000000	25-01-109667
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ccccc1O	PC-id_111185410	369.464	LTDGTFMQYVIFAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109668
CCNC(=NCc1nnc2n1CCC2)NCCc1cccc(c1)C(=O)NC	PC-id_111633163	369.464	AGHLIFIXGJXFKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109669
CN(C1CCCN(CC1)C(=O)c1n[nH]c2c1CCC2)Cc1nccc(n1)N	MCULE-9960723056,EMOLS-id_316051220	369.464	VRDNEACDYDENJW-UHFFFAOYSA-N	00000010100000100101000010000000000000000000000000000000	25-01-109670
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_328650671	369.464	VRDNEACDYDENJW-CYBMUJFWSA-N	00000010100000100101000010000000000000000000000000000000	25-01-109671
CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_328650672	369.464	VRDNEACDYDENJW-ZDUSSCGKSA-N	00000010100000100101000010000000000000000000000000000000	25-01-109672
CN=C(N1CCN(CC1)c1ccccc1OC)NCc1nnc2n1CCC2	PC-id_111132571	369.464	JRWQYFALGHHQFZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109673
CN=C(N1CCN(CC1)c1ccc(cc1)OC)NCc1nnc2n1CCC2	PC-id_111242781	369.464	GKAOJAZDYJCFMP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109674
CN=C(N1CCN(CC1)c1cccc(c1)OC)NCc1nnc2n1CCC2	PC-id_111290715	369.464	MPNPUIXVDZSUMT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109675
CN=C(NC1CCN(C1)c1ccccc1OC)NCc1nnc2n1CCC2	PC-id_109707543	369.464	DDRUEXJRQKQGOC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109676
CN=C(NC1CCN(C1)c1cccc(c1)OC)NCc1nnc2n1CCC2	PC-id_119150329	369.464	MUJAYWLSRSAHNP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109677
CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc4n(n3)CCC4)C2)n1	EMOLS-id_323978456,MCULE-1833641402,PC-id_146111732,ZINC22_1875397354	369.464	XCIYSJJUKAMMDL-CQSZACIVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-109678
CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc4n3CCC4)C2)n1	MCULE-3301812770,PC-id_146111729,ZINC22_1875397273,EMOLS-id_323981015	369.464	TUGWCGOKFWEHSR-CQSZACIVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-109679
CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnn4c3CCC4)C2)n1	MCULE-4767938592,PC-id_146111731,ZINC22_1875397335,EMOLS-id_323977944	369.464	WFQQWUVNYMDKPU-OAHLLOKOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-109680
CN(C(=O)c1nc(N2CC[C@H](C2)NC2CCn3c2ncc3)c(c(n1)C)C)C	EMOLS-id_323997917,PC-id_146112331,MCULE-3275175918	369.464	LRBSJLBNVQBXLB-GICMACPYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-109681
O=C(N1CCC=C(CC1)c1nnn(c1)C(C)C)NC1CC(n2c1ncc2)C	EMOLS-id_101572863	369.464	ZBHNARYPBOUFBN-UHFFFAOYSA-N	00000010100000000111100010000000000000000000000000000000	25-01-109682
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncccn1)C#N	PC-id_8543153	369.464	HWNGAPCMIARJKR-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-109683
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1nccnc1)C#N	PC-id_35011023	369.464	HSEGDDFKYDCRNV-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-109684
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OC	MCULE-4308070695,PC-id_5237866	369.477	GRKDKDFLSXXVFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109685
COC(=O)C1(c2ccccc2)CCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC22_24450703,PC-id_31826108,MCULE-8722584823	369.477	ZOCPJLRNBZEBEU-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-109686
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)C(C)C)sc2c1CCC2	CoCoCo_5816465	369.477	GRKDKDFLSXXVFH-XFXZXTDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109687
COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)C)sc2CCCc12	CoCoCo_5816464,TIMTEC177204,EMOLS-id_26497065,PC-id_1638489,ZINC22_1904946,SPECS-id_AK-968/12102336	369.477	GRKDKDFLSXXVFH-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109688
O=C(O)c1ccccc1CC1CCN(C(=O)c2cc3c(s2)CCC3)CC1	MCULE-1781355643,EMOLS-id_72612167,ZINC22_263095110,PC-id_121951614	369.477	SZKDACQPIJINEK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109689
s1c2CCCc2cc1C(=O)OC(C(=O)N1CCCCC1)c1ccccc1	PC-id_78528497	369.477	BZDOXXUGUDKXAJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109690
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1	PC-id_7704470	369.477	BZDOXXUGUDKXAJ-IBGZPJMESA-N	00000010100010110000000010000000000000000000000000000000	25-01-109691
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1	PC-id_7704471	369.477	BZDOXXUGUDKXAJ-LJQANCHMSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109692
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CSC2	CHEMBL65263,NSC368137,CoCoCo_5626584,PC-id_339866,ZINC22_1586937	369.479	KIDAKRLMYQYVON-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109693
CCC(N1Cc2c(S1(=O)=O)cc(s2)/C=C/c1cccs1)C(=O)O	PC-id_57791720,SCHEMBL8029161	369.479	ZDZBQYBGVVEZOS-AATRIKPKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109694
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)OCC1CCCCO1	EMOLS-id_100213546	369.479	WINOXIHNCQTAJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109695
S1(=O)(=O)N(Cc2sc(cc12)C=Cc1sccc1)C(CC)C(=O)O	PC-id_76606598	369.479	ZDZBQYBGVVEZOS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-109696
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)NC1CCCCC1	TIMTEC394957,MCULE-1087530759,PC-id_1246152,EMOLS-id_2042310,CoCoCo_541854,ZINC22_1054717	369.481	QAGRXSQDCAVARP-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-109697
c1(c2CCCc2sc1NC(=O)c1ccncc1)C(=O)NC1CCCCC1	MCULE-2906354097,CoCoCo_1073334,PC-id_17173313,EMOLS-id_13331430,TIMTEC63659,ZINC22_13329158	369.481	AUYMNKRBKUBGIC-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-109698
c1(c2CCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1ccccc1	PC-id_1328629,TIMTEC299171,ZINC22_1159806,MCULE-8746067810,CoCoCo_867501,EMOLS-id_2185514	369.481	LXKVLPLIQLSCFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109699
Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCC2	EMOLS-id_110337289	369.481	GGVLKZNWQANQEC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109700
Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_111320422	369.481	AINACGVYTLJYKZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109701
Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_87007165	369.481	DBILHFDBYMOUAM-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-109702
Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_97007885,ZINC22_84247969	369.481	IWTGAALBILFWTE-OAHLLOKOSA-N	00000010100010101000000010000000000000000000000000000000	25-01-109703
Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	ZINC22_84247970,PC-id_97007886	369.481	IWTGAALBILFWTE-HNNXBMFYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-109704
Cc1ccc(O)c(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324903945	369.481	HYDHGPZBORWKPF-ATVHPVEESA-N	00000000100010110001000010000000000000000000000000000000	25-01-109705
CCc1cccc(C)c1N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	EMOLS-id_334660566,MCULE-7617303533	369.481	ROWNVGPKEYRULW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109706
CN1CCCN(CC1)C(=O)c1sc2c(c1)N(CC2)C(=O)c1ccccc1	PC-id_97524482	369.481	ZKXBKOLVMMUKLC-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-109707
COc1ccccc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324904964	369.481	CGYAKVSPEDYZNC-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-109708
COc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324903427	369.481	IXJQTWPKKOSPLT-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-109709
COc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324905988	369.481	CPZHIHDGXRSYMM-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-109710
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCC1CCCCC1	MCULE-3907185148	369.481	CGYAKVSPEDYZNC-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-109711
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)CCC1CCCCC1	MCULE-5294611616	369.481	HYDHGPZBORWKPF-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-109712
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)CCC1CCCCC1	MCULE-8650775950	369.481	IXJQTWPKKOSPLT-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-109713
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCC1CCCCC1	MCULE-5277806920	369.481	CPZHIHDGXRSYMM-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-109714
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)NC1CCCCCCC1	SCHEMBL7148832	369.481	PDMJMNIYNCIELZ-PTNGSMBKSA-N	00000010110000000100000010000000000000000000000000000000	25-01-109715
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)NC1CCCCCCC1	SCHEMBL7148841,PC-id_22976044	369.481	PDMJMNIYNCIELZ-UHFFFAOYSA-N	00000010110000000100000010000000000000000000000000000000	25-01-109716
O=C(C1CCCN(C1)C(=O)c1sc2c(c1)CCC2)Nc1ncccc1C	MCULE-6313100748,EMOLS-id_44539608,PC-id_71890360	369.481	IWTGAALBILFWTE-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-109717
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)CNC(=O)c1ccccn1	EMOLS-id_98330637	369.481	VHWCMAURCSKGII-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-109718
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)N1CCCCC1)C(=O)N	EMOLS-id_98878900	369.481	SZJLRNBOAFPFNH-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-109719
O=C(N1CCC(CC1)NC(=O)c1sc2c(c1)CCC2)Nc1ccccc1	PC-id_86918431	369.481	KAZRQPYJXLYXQK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109720
O=C(Nc1ccccc1)NC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_86834880,EMOLS-id_98562955	369.481	XKDHSROEDWXTFJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-109721
O=C(NCCN1CCCC1)c1cc2c(s1)CCN2C(=O)c1ccccc1	EMOLS-id_44303534,ZINC22_96146780,PC-id_97442307	369.481	NQTQZIUNLJBZDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109722
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)CC(=O)Nc1ccccc1	PC-id_39856335	369.481	UXLQNABBLNZZFP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109723
s1c2CCCc2cc1C(=O)NCC(=O)N1CCN(CC1)c1ccccc1	PC-id_71883542	369.481	IEPNFRJQPOEFMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109724
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccc(OC)cc1)C)C#N	PC-id_51302661	369.481	MGPZDAYKLWFUKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109725
s1c2CCCc2c(c1NC(=O)CCN(Cc1cc(OC)ccc1)C)C#N	PC-id_24588883	369.481	UYELIXTYARXDME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109726
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(OC)cccc1)C)C#N	PC-id_51302760	369.481	QJDLNQMAMRCFAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109727
s1c2CCCc2c(c1NC(=O)CCN(CCOc1ccccc1)C)C#N	PC-id_36006356	369.481	FDSDWMJNLRFGGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109728
s1c2CCCc2c(c1NC(=O)CN(Cc1ccc(OCC)cc1)C)C#N	PC-id_4818756	369.481	PVBNFDUDTFMELJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109729
s1c2CCCc2c(c1NC(=O)CN(Cc1c(OC)ccc(c1)C)C)C#N	PC-id_8805421	369.481	KORWEBSSTRPVKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109730
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCCCCC1	PC-id_16947017	369.481	XARXHYICZBDHMB-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-109731
s1c2CCC(C(=O)N3CCCCC3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947497	369.481	DORXNWCPOWVINU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109732
s1c2CCC(C(=O)NC3CCCC3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947525	369.481	HZLKOYKLPUWAFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109733
s1c2CCC(C(=O)NC3CCCCC3)c2nc1NC(=O)c1ccccc1	PC-id_16947048	369.481	VIRRLMXKQGYSHX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109734
s1c2c(nc1NC(=O)c1ccccc1)C(CC2)C(=O)N1CC(CCC1)C	PC-id_16947020	369.481	FVQPHKJGVOYHCD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109735
s1c2c(nc1NC(=O)c1ccccc1)C(CC2)C(=O)N1CCC(CC1)C	PC-id_16947021	369.481	OZTUEBVMLMJZHZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109736
c1(c2CCCc2[nH]n1)C(=O)N1C[C@H]([C@H](C(C)C)C1)NS(=O)(=O)N(C)C	MCULE-7748120700,PC-id_72877362,EMOLS-id_48633290,ZINC22_95509288	369.482	AJSWWJNVWVYDOR-GXTWGEPZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109737
CC(C)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1NS(=O)(=O)N(C)C	ZINC22_1565512482	369.482	AJSWWJNVWVYDOR-OCCSQVGLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109738
CCCS(=O)(=O)N1Cc2c(C1)c(nn2C)C(=O)N1CCCN(CC1)C	MCULE-3333649496,EMOLS-id_207863243	369.482	YJRGVEHEOQXJFC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-109739
CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1875277434	369.482	LPWSENVQRMKLCS-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109740
CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)N=c2cc3n([nH]2)CCC3)C1	ZINC22_1875277435	369.482	LPWSENVQRMKLCS-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109741
CCOC(=O)c1c(NC(=O)CSc2nncs2)sc2c1CCC2	MCULE-8852553311,CoCoCo_3128155,ZINC22_3389457,EMOLS-id_3654484,PC-id_2507632	369.482	CEBWDBVPZMWJSB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109742
O=C(N1CCCCC1CCNS(=O)(=O)C)NC1CC(n2c1ncc2)C	EMOLS-id_101581071	369.482	JHCSJAPASOMFMQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109743
O=C(N1CCCC(C1)CNS(=O)(=O)C(C)C)Nc1nn2c(c1)CCC2	PC-id_146103705,MCULE-1738530088,EMOLS-id_324053356	369.482	LPWSENVQRMKLCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109744
O=C(N1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2)NC(C)(C)C	EMOLS-id_100216495	369.482	UTJCYONKRGLRRK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109745
s1c2c(CCC2)c(c1NC(=O)CSc1sc(nn1)C)C(=O)OC	PC-id_19727741	369.482	LGLPFFIMSGZGIB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109746
N#Cc1c(NC(=O)C(N2CCCC(C2)c2[nH]ccn2)C)sc2c1CCC2	EMOLS-id_100625180	369.484	KFGZRRKAWXGYMU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-109747
N#Cc1c(NC(=O)C(N2CCC(CC2)n2ccnc2)C)sc2c1CCC2	EMOLS-id_98937484	369.484	LSASBCPJCXFYDK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-109748
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1[nH+]cccc1)C#N	PC-id_7949058	369.484	JBZHCYPJWTWRHC-UHFFFAOYSA-P	00000010100010101001100010000000000000000000000000000000	25-01-109749
S1CCn2c1nc(NC(=O)c1ccc(N(CCCC)CC)cc1)c2C#N	PC-id_60323943	369.484	RYUNTCDOKJRNGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109750
CNc1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)s1	EMOLS-id_23962001,PC-id_27788785,MCULE-6020888121,CoCoCo_4028958,ZINC22_17979360	369.485	CKDYEUBTTXFLMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109751
c1(CN(C)Cc2cc(CC=C)c(c(OC)c2)OC(C)C)[nH]nc2CCCc12	EMOLS-id_31617891,ZINC22_55307303,MCULE-8557475198,PC-id_46993727	369.5	FOKHMSPBCMWWSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109752
Cc1ccc(cc1)S(=O)(=O)n1cc2c(c1Sc1ccccc1)CCC2	PC-id_102109286	369.5	KNOSXAIKAAPCSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109753
Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)C(=O)Cn1c(=N)n2c(CCC2)c1	SCHEMBL14346296,PC-id_59016246	369.5	GAOKHZFFBSPBIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109754
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCC1CCCCC1	PC-id_92109323	369.5	UUQINOADAUCQJV-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-109755
c1(NC(=S)NNC(=O)CCCCC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4047142,MCULE-4717076601,CoCoCo_6797575,TIMTEC211755,PC-id_4508599	369.502	IEEIGVHPZLMEFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109756
s1c2CCCc2cc1C(=O)NNC(=S)NCCCCCC(=O)OC	PC-id_8746045	369.502	PLOLNDRLZNJGCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109757
c1(CN2CCC(CC2)COc2c(C)c(C)nc(C)n2)c2CCCc2nn1C	ZINC22_1888866669,EMOLS-id_330482260,PC-id_155941912,MCULE-2891754488	369.504	DRNQUEXMEMBUHZ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-109758
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(C(C)C)cc1)C#N	PC-id_17177748	369.504	YKDCOGWJJOLWSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109759
CCc1cc(N2CCC(NCc3n[nH]c4c3CCC4)CC2)nc(N(C)C)n1	EMOLS-id_48634068,ZINC22_95510235,PC-id_72880267,MCULE-6970245564	369.507	IBMWSNGTOOLCNK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-109760
CCN(C(c1ccccc1)CNC(=NC)NCc1nnc2n1CCC2)CC	PC-id_111011249	369.507	PACTUTVSTHCOLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109761
CCNC(=NCc1nnc2n1CCC2)NCCCN(c1ccccc1)CC	PC-id_111020505	369.507	VVIDFPUNQREPOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109762
CCNC(=NCc1nnc2n1CCC2)NCCN(c1cccc(c1)C)CC	PC-id_111020407	369.507	YFJYQEYKBIMYAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109763
CN=C(NCc1nnc2n1CCC2)NCCC(N(Cc1ccccc1)C)C	PC-id_111719336	369.507	WMJIZBFRYIFMML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109764
Cc1sc(c2c1C(=O)N(C2=O)CCCCCCCCc1ccccc1)C	PC-id_117982938,SCHEMBL16604965	369.52	HRSXQVVRDYQBKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109765
COc1c(sc2c1CCC2)C(=O)NCC1(CCCCC1)c1ccccc1	PC-id_91956516	369.52	QUOFYLPXTXWCMO-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-109766
c1(CN(C2CCCC2)C(=O)c2ccccc2SC)c2CCCc2n(C)n1	MCULE-1391532086,EMOLS-id_50145336,PC-id_86266584	369.524	LSBIIUZGTWCPBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109767
s1c2CCCc2cc1C(=O)Nc1c(cc(N2CCN(CC2)CC)cc1)C	PC-id_31365743	369.524	SJEFICXFXQZMLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109768
s1c2CCCc2cc1C(=O)Nc1cc(c(N2CCN(CC2)CC)cc1)C	PC-id_40408979	369.524	AGHJSLXHWFOCHT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109769
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(cc(cc1C)C)C	PC-id_44060424	369.524	YCJQUXFLCGDWLE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109770
s1c(nc2c1CCC2)CN1CCN(CC1)C(=O)C(CC)c1ccccc1	PC-id_44060408	369.524	NLDPPCKDWIQVLO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109771
s1c2CCCc2cc1C(=O)NNC(=S)NCCC[NH+]1CCOCC1	PC-id_8746012	369.525	GVYDULFEUAJPCC-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-109772
s1c2c(CCC2)c(c1NC(=O)CSC(=S)N1CCCC1)C(=O)N	PC-id_7605940	369.525	WHZURTQNRGKVNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109773
OC(=O)c1cc2c(n1COCC[Si](C)(C)C)/C(=C/c1ccccc1)/CC2	SCHEMBL2077047	369.529	HHEONTIHYMHRLN-GHRIWEEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-109774
OC(=O)c1cc2c(n1COCC[Si](C)(C)C)C(=Cc1ccccc1)CC2	SCHEMBL2077048,PC-id_67269840	369.529	HHEONTIHYMHRLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109775
O=C(C1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2)CC(C)(C)C	PC-id_117742357,SCHEMBL16297824	369.542	RUVMHYPOBNTQLK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-109776
CC1(CCC2(C(C1)N2)C(=C1C=c2c(=N1)cc(s2)CC1CCCCC1)N)C	PC-id_90077381	369.567	GQKPJKCUKGFFIN-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-109777
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)c(Cl)cc1	PC-id_60707622	369.644	OQYXSQIJVCNLMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109778
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)c(Cl)cc1	PC-id_60715579	369.644	VKCGXOYVSWNIDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109779
Brc1c(Cl)cc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_80971126	369.644	ZNNCPHQZLFVSOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109780
Brc1c(Cl)cc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_80973220	369.644	FLUHKOCUEKBDKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109781
CC(c1nnc2n1CCC2)NC(=O)c1cccc(c1Cl)Br	PC-id_103993847	369.644	MLBTVTJCJJTBAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109782
Clc1cc(Br)cc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_103826546	369.644	YBHKEKHNUCOUCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109783
Clc1cc(Br)cc(c1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_103826579	369.644	HTCXJNKOOJCDPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109784
Clc1ccc(c(c1)Br)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_103763705	369.644	VCANERZNQKQSTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109785
Clc1ccc(c(c1)Br)C(=O)NC(c1nnc2n1CCC2)C	PC-id_103764461	369.644	KKKWVTGUCJCUGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109786
CN(C(=O)c1ccc(c(c1)Br)Cl)Cc1nnc2n1CCC2	PC-id_103841616	369.644	QFYAIDLJGOONOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109787
CN(C(=O)c1cccc(c1Cl)Br)Cc1nnc2n1CCC2	PC-id_104004135	369.644	ZNALRNWKVKIBPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109788
O=C(c1ccc(c(c1)Br)Cl)NC(c1nnc2n1CCC2)C	PC-id_103841588	369.644	FNOXGCNFJKEUIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109789
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2CCl)c1	EMOLS-id_331007671,MCULE-2559482381	369.684	PQTGZFCUUVJNKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109790
COc1ccc(Br)c(Cn2nc(CCl)c3C(C)CCc23)c1	MCULE-8746590183,EMOLS-id_331023629	369.684	XVXQDNPPOCTBBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109791
COc1ccc(Cn2nc3CCC(C)c3c2CBr)cc1Cl	MCULE-1685243028,EMOLS-id_331011771	369.684	AWLXJWKNHJMJMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109792
COc1ccc(Cn2nc3CCC(C)c3c2CBr)c(Cl)c1	EMOLS-id_331012027,MCULE-9745547684	369.684	IUHMAQXLVHANPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109793
COc1ccc(Cn2nc3CCC(C)c3c2CCl)c(Br)c1	EMOLS-id_331007927,MCULE-1755284741	369.684	DZJQNTQMJAZBSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109794
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)cc1Cl	MCULE-1298006365,EMOLS-id_331032833	369.684	XZXBYDHODSBJHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109795
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)c(Cl)c1	EMOLS-id_331033089,MCULE-6689963733	369.684	LHENENRCUXSGIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109796
COc1ccc(Cn2nc(CCl)c3C(C)CCc23)c(Br)c1	MCULE-3232595317,EMOLS-id_331023885	369.684	HABHSZJVLYIUEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109797
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1CBr	MCULE-7192124462,EMOLS-id_331011263	369.684	PREUUUYOISZTGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109798
COc1cc(Cl)ccc1Cn1nc(CBr)c2C(C)CCc12	EMOLS-id_331032325,MCULE-7191862260	369.684	WINSMTLPWDQUFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109799
COc1cc(Cn2nc3CCC(C)c3c2CBr)ccc1Cl	EMOLS-id_331011007,MCULE-1670535995	369.684	WNQAUXDCGAKDEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109800
COc1cc(Cn2nc(CBr)c3C(C)CCc23)ccc1Cl	EMOLS-id_331032069,MCULE-6686022020	369.684	ZSDZKMPJQZBUAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109801
Brc1cc(Cl)c(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_82775824	369.687	LFSWAXVMHPTYDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109802
Clc1nc2SCCn2c1/C=[N+]([O-])/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1	PC-id_78582477	369.74	SCVXDSRKQFBNEU-SOFYXZRVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109803
Clc1cnc(c(c1)[N+](=O)[O-])NCC(=O)c1scc2c1OC(O2)(C)C	SCHEMBL19124663	369.78	ASOIIECRNUPUIC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109804
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(cc1C)Cl	PC-id_56753966,ZINC22_67840223,MCULE-2707311052,EMOLS-id_36602164	369.82	DCAGUDFUTIKMKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109805
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cccc(C)c1Cl	ZINC22_67514480,MCULE-1585536183,EMOLS-id_36568365,PC-id_56740263	369.82	KBPVJHBZYVBYNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109806
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(c(Cl)c1)C	EMOLS-id_36601543,MCULE-1541797510,ZINC22_67820975,PC-id_56753708	369.82	DDKODZMZKOKCTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109807
Clc1c2n(CCC2C(=O)O)c(Cc2c(S(=O)(=O)OC)cccc2)c1	PC-id_20404965,SCHEMBL11003221	369.82	CRSSPLLULMFVHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109808
c1(NC(=O)c2cc(on2)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	TIMTEC568419,PC-id_4067941,EMOLS-id_15969656,ChEMBL-DNDi_CHEMBLC226-0437,MCULE-4488024489,ZINC22_2465522	369.825	YFTKPHVDXSQNNF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109809
c1(NC(=O)c2cc(on2)c2cccc(Cl)c2)sc2c(CCC2)c1C#N	ZINC22_2465613,MCULE-7966599075,PC-id_17252992,TIMTEC326480,EMOLS-id_15970772	369.825	NBTHKOXERYTBIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109810
c1(NC(=O)c2noc(c3ccccc3Cl)c2)sc2c(CCC2)c1C#N	CoCoCo_6628576,TIMTEC271827,SPECS-id_AN-329/43211250,MCULE-5160741261,EMOLS-id_1513725,PC-id_1093885,ZINC22_815189	369.825	KSTXNMJCHXHNKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109811
Cc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)o1	ZINC22_16735170,EMOLS-id_45964809	369.825	GXEYWHBWXRIFTA-LFKWHJGZSA-N	00000000101000110001000010000000000000000000000000000000	25-01-109812
Clc1ccccc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324842737	369.825	UQSRSNUCGWCNNV-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109813
Clc1ccccc1OCc1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324883459	369.825	OCYUVZMCFCSICA-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109814
Clc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324837631	369.825	KOGJIWXBMFTMBR-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109815
Clc1ccc(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_324841720	369.825	AVZCVPRFXXWZLA-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109816
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1ccccc1Cl	MCULE-6372095678	369.825	OCYUVZMCFCSICA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109817
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1ccc(Cl)cc1	MCULE-1114482169	369.825	AVZCVPRFXXWZLA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109818
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1ccccc1	MCULE-4466764396	369.825	UQSRSNUCGWCNNV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109819
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1ccccc1	MCULE-3584046782	369.825	KOGJIWXBMFTMBR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109820
n12nc(nc1sc(=Cc1ccc(C)o1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-9956251629	369.825	GXEYWHBWXRIFTA-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-109821
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)Cc1ccccc1	MCULE-9815879442	369.825	ZQZQMDMRYCZYFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109822
Oc1ccc(Cl)cc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324836091	369.825	ZQZQMDMRYCZYFU-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109823
Clc1ccc(CNC(=O)Nc2n[nH]c3CN(S(=O)(=O)C)Cc23)cc1	PC-id_68443196,SCHEMBL2925337	369.827	TWOFWXYKCQAFRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109824
c1(NC(=O)c2c(cccc2F)Cl)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160409,MCULE-2868570116,EMOLS-id_5442889	369.841	ISYPQRPUSQLKIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109825
CC(C)(C)n1nc2c(c1NC(=O)c1c(F)cccc1Cl)C[S@@](=O)C2	PC-id_11877761,CoCoCo_4985448,ZINC22_2725042	369.841	ISYPQRPUSQLKIL-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-109826
CC(C)(C)n1nc2c(c1NC(=O)c1c(F)cccc1Cl)C[S@](=O)C2	ZINC22_4106196,PC-id_11863910,CoCoCo_4985447	369.841	ISYPQRPUSQLKIL-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109827
CCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)Cl	SCHEMBL10814694	369.841	FOSUSHOJGDQYJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109828
c1(CN(Cc2ccco2)C(=O)c2cccc(Cl)c2)c2CCCc2n(C)n1	PC-id_86266516,ZINC22_217902797,EMOLS-id_53872623,MCULE-4205195341	369.845	RZLWGKHBLLWQML-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-109829
Clc1cccc(c1)C#CC1(O)CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_69318516,SCHEMBL5119499	369.845	XFVGHRUXHWUCPY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-109830
Clc1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109359	369.845	MBXIMMCALWHCBO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-109831
Clc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109360	369.845	IZGPIYSUSBNZMJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-109832
Clc1ccc(n2c(c(C(=O)NCc3n4CCCc4nn3)cc2C)C)cc1	PC-id_52709922	369.848	CMJYDUKUQRCGRQ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-109833
Clc1c(C(=O)NCc2n3CCCc3nn2)cc(n2c(ccc2C)C)cc1	PC-id_52375825	369.848	FOXNFHAEKKYNQZ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-109834
O=C(c1ccc(cc1)n1nc(c(c1C)Cl)C)Nc1n(C)nc2c1CCC2	EMOLS-id_97741371	369.848	KYZRDGBXVITLDX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109835
C=C=COc1cc(N=c2snc3n2CC(S3)(C)C)c(cc1Cl)F	PC-id_101659651	369.865	LUMSDOIUWAWANZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109836
Clc1cc(NC(=S)NNC(=O)c2sc3CCCc3c2)ccc1F	PC-id_8745985	369.865	FLDRWAVIRJYBGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109837
n12nc(nc1sc(=CC1CCC=CC1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4165031992	369.868	CXPTWUPJBZLDPZ-UHFFFAOYSA-N	00000000100011110001000010000000000000000000000000000000	25-01-109838
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)Br	MCULE-3803030538,EMOLS-id_330967805	370.082	MYMOEDMABZLYJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109839
CC1CCc2c1c(Br)nn2Cc1cccc(Br)c1	MCULE-3461095345,EMOLS-id_330969085	370.082	NHSKZUTZRRAVNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109840
CC1CCc2c1c(Br)nn2Cc1ccccc1Br	MCULE-1483276668,EMOLS-id_330966782	370.082	BCDBOGOXDMOHFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109841
CC1CCc2nn(Cc3ccc(Br)cc3)c(Br)c12	EMOLS-id_331015338,MCULE-2264319648	370.082	CSTXBWBRFQVMKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109842
CC1CCc2nn(Cc3cccc(Br)c3)c(Br)c12	EMOLS-id_331016618,MCULE-8258262864	370.082	VJUNRNLFDJCAOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109843
CC1CCc2nn(Cc3ccccc3Br)c(Br)c12	EMOLS-id_331014315,MCULE-6894590275	370.082	HVKMXAWWLBYDFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109844
CC(C)(C)OC(=O)N1CC2=C(C1)SC(=C2NC(=O)COC)C(=O)OC	PC-id_154766976,MCULE-1592889769,EMOLS-id_257949084	370.12	FYXNWIVIDWVKRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109845
Cn1cc2CN(Cc2n1)C(=O)Nc1c(ccc(n1)c1c(cc(cc1)F)F)N	PC-id_163753051	370.135	LRSCFXZHMKBVJO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-109846
CC(=O)C1=NN(C2=C1CCC2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F	PC-id_153600554	370.181	KJSGCGQKYFOHAD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-109847
COCc1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324901384	370.197	SVWTZUPQGUAZRL-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109848
COCc1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324900356	370.197	SPKLAXWMKUOIJP-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109849
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)COC	MCULE-2455376672	370.197	SVWTZUPQGUAZRL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109850
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)COC	MCULE-4576392565	370.197	SPKLAXWMKUOIJP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-109851
O=C(CN1CCCC1=O)NNC(=O)c1c(Br)nc2n1CCC2	MCULE-6429672303,EMOLS-id_258166486	370.202	DWVXDDOZWOUEBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109852
CC1CCc2c1c(I)nn2Cc1ccc(C)cc1F	EMOLS-id_330978550,MCULE-1118219735	370.204	QPBPTOYFWOZBFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109853
CC1CCc2c1c(I)nn2Cc1cc(C)ccc1F	EMOLS-id_330980854,MCULE-1890259683	370.204	AWKAMBJGUYEUHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109854
CC1CCc2c1c(I)nn2Cc1cccc(C)c1F	EMOLS-id_330981110,MCULE-5569102933	370.204	XSZIWMVTUQKOJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109855
CC1CCc2c1c(I)nn2Cc1ccc(C)c(F)c1	EMOLS-id_330978294,MCULE-7945487383	370.204	PKPNHZYUGNAUSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109856
CC1CCc2c1c(I)nn2Cc1cccc(F)c1C	MCULE-5824357348,EMOLS-id_330979319	370.204	CPEPGDCGJWECAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109857
CC1CCc2c1c(I)nn2Cc1ccc(F)cc1C	EMOLS-id_330979062,MCULE-2630243919	370.204	UTFRQEZFSWDNSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109858
CC1CCc2c1c(I)nn2Cc1ccc(F)c(C)c1	MCULE-8827606307,EMOLS-id_330978806	370.204	KRYZUDKGNVKTCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109859
CC1CCc2c1c(I)nn2Cc1cc(F)ccc1C	MCULE-5215672824,EMOLS-id_330979575	370.204	ZMLCHUQCQHSMNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109860
CC1CCc2nn(Cc3cccc(C)c3F)c(I)c12	EMOLS-id_330961075,MCULE-8581631163	370.204	XVTJYRHAPKAJLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109861
CC1CCc2nn(Cc3ccc(C)cc3F)c(I)c12	EMOLS-id_330962610,MCULE-1132320524	370.204	WVCJFGZMOQLRAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109862
CC1CCc2nn(Cc3cc(C)ccc3F)c(I)c12	EMOLS-id_330964914,MCULE-9920494626	370.204	MXEXSCBNSRYHEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109863
CC1CCc2nn(Cc3ccc(C)c(F)c3)c(I)c12	EMOLS-id_330962354,MCULE-8704305202	370.204	CISSNCMLDBRLIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109864
CC1CCc2nn(Cc3cccc(F)c3C)c(I)c12	MCULE-4995730696,EMOLS-id_330963379	370.204	AHKCRFSFIBZZCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109865
CC1CCc2nn(Cc3ccc(F)cc3C)c(I)c12	MCULE-9594319737,EMOLS-id_330963122	370.204	DFBIOXMACHSPSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109866
CC1CCc2nn(Cc3ccc(F)c(C)c3)c(I)c12	MCULE-1574238771,EMOLS-id_330962866	370.204	HZEASBUZTUOYGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109867
CC1CCc2nn(Cc3cc(F)ccc3C)c(I)c12	EMOLS-id_330963635,MCULE-5932659455	370.204	KCWIXHATKNKESG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109868
CC(c1ccccc1F)n1nc2CCC(C)c2c1I	EMOLS-id_330963903,MCULE-5085888852	370.204	RNWXLRQNBGATPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109869
CC(c1ccc(F)cc1)n1nc2CCC(C)c2c1I	EMOLS-id_330963133,MCULE-2449715771	370.204	XHGLIENNMVPQNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109870
c1(sc2c(CCC2)n1)NC(=O)c1ccc(cc1)I	PC-id_33039675,MCULE-2159162388,EMOLS-id_181475729	370.209	ZYFRRFBXFRPKNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109871
Ic1ccccc1C(=O)Nc1nc2CCCc2s1	CoCoCo_4164258,MCULE-5510891304,EMOLS-id_17185845,ZINC22_6527382,PC-id_4603709	370.209	FYJDBYPAKJOXRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109872
Ic1ccc(nc1)NC(=O)c1sc2c(c1)CCC2	PC-id_65098558,EMOLS-id_261123776	370.209	CWKKNIAWTLCGMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-109873
O=C(Nc1nc2c(s1)CCC2)c1cccc(I)c1	PC-id_4172962,ZINC22_6526483,MCULE-8081150893,CoCoCo_4164025,EMOLS-id_21277508	370.209	FUOJLIPARSWIAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109874
c1(NC(=O)c2ccc(Br)o2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AK-968/12164421,MCULE-2690944196,CoCoCo_6786273,PC-id_1221902,ZINC22_997445,EMOLS-id_4047450,TIMTEC381596	370.218	PLJCCZKGKWZEFB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-109875
CCc1occc1C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	MCULE-6817486799,EMOLS-id_320308879	370.218	CXZDWGCOIFEXCD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-109876
COC(=O)c1c(sc2c1CCC2)NC(=O)c1ccoc1Br	PC-id_106852854	370.218	RSWHAJXCCFGSFA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-109877
Brc1oc(C(=O)NCC(=O)Nc2sc3CCCc3n2)cc1	PC-id_33040293	370.222	VMEMWRPEHXNQOY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109878
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)CCn1ccnc1	EMOLS-id_316552809	370.222	RRSMQLKWSVAKHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109879
OC(=O)c1sc2c(c1Br)CN(C2)C(=O)c1cnn(c1C)C	EMOLS-id_316553835,MCULE-5088459708	370.222	AYYIMWKCJJUCNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109880
Ic1ccc(cc1)CC(c1sc2c(c1)CCC2)O	PC-id_115802597	370.248	CNQSZKZLELRHPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109881
c1(N=Cc2cc(Cl)cc(Cl)c2O)sc2c(CCC2)c1C(=O)OC	PC-id_136235887,MCULE-4984090426	370.25	IABGKWZHCDZRNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109882
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_1285381,PC-id_997408,SPECS-id_AN-153/I125065,SPECS-id_AT-084/J158690,ZINC22_651294,SPECS-id_AG-690/12247003,CoCoCo_142773,MCULE-9149633110,BAS-00861074	370.25	HVOXETKHJYCSQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109883
c1(NC(=O)c2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	TIMTEC250619,MCULE-3762926425,PC-id_1221339,EMOLS-id_2199588,CoCoCo_902931,ChEMBL-DNDi_CHEMBL7263402,ZINC22_996653	370.25	JVHMARSQIAVDHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109884
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-8354733990,CoCoCo_6256795,PC-id_1666515	370.25	OPVHJVSGPBZIGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109885
ClC1=CC(=CC(=CNc2sc3c(CCC3)c2C(=O)OC)C1=O)Cl	PC-id_16471920	370.25	OHCYZGNBEHBSNE-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-109886
Clc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(Cl)c1	PC-id_4569226	370.25	HUNANYMWYOZAKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109887
Clc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)cc(Cl)c1	PC-id_4041405	370.25	ADQDRXOFQJUFSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109888
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_4022063	370.25	MGRLKPASYUQMLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109890
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)cc(Cl)cc1	PC-id_3527927	370.25	PGZYTZWNKMMBIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109891
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)c(Cl)ccc1	PC-id_4578782	370.25	IWGVWGKKQISXJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109892
COC(=O)c1c2CCCc2sc1/N=C/c1cc(Cl)cc(Cl)c1O	ZINC22_4739348,EMOLS-id_46389619,CoCoCo_6253369,PC-id_135579037	370.25	IABGKWZHCDZRNJ-FBCYGCLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109893
COC(=O)c1c(/N=Cc2cc(Cl)cc(c2O)Cl)sc2c1CCC2	CoCoCo_6253370	370.25	IABGKWZHCDZRNJ-GXHLCREISA-N	00000010100000110000000010000000000000000000000000000000	25-01-109894
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cccc(Cl)c1Cl	CoCoCo_2840976,ZINC22_5308713,PC-id_4858288,EMOLS-id_3483787,MCULE-1271188994	370.25	HKMYPXRBOQHCAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109895
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(Cl)c(Cl)c1	ZINC22_3304710,MCULE-4182288117,PC-id_2420345,CoCoCo_2840933,EMOLS-id_3178956	370.25	SUSPMEZCXOSUJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109896
CNC(c1sc2c(n1)CCC2)c1ccc(cc1)I	PC-id_114283075	370.252	QJZVOLYEICMXEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109897
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)n1	MCULE-9730385879,EMOLS-id_334661073,PC-id_33040268	370.254	ZZXWCZDMUACSQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109898
NC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCC2	EMOLS-id_3227337,PC-id_3529099,ZINC22_7158631,MCULE-9142047716,CoCoCo_3483770	370.254	KDWFLAYXBYNTIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109899
Brc1ccc(c(c1)C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318434	370.265	OCPSATBNIANXCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109900
Brc1cccc(c1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318518	370.265	UZOJBOPYPNCJAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109901
Brc1ccc(cc1C)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320541	370.265	FUAJJOMPHICREB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109902
Brc1ccc(c(c1)C)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_100027578	370.265	QKPCGMBHUZWCTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109903
Brc1ccc(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101320514	370.265	KJEKOFPLNNVGHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109904
Brc1ccc(c(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_98227973	370.265	QQAIAJWUMNZXRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109905
c1(NC(=O)c2ccc(Br)o2)c2CSCc2nn1C(C)(C)C	MCULE-7151872060,ZINC22_4077302,EMOLS-id_11056148,PC-id_3626019,CoCoCo_4972761	370.265	CQTCAXHGBKQRFP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-109906
Cc1cc(Br)cc(c1)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318431	370.265	DBSURAYWGRPYMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109907
Cc1cc(Br)cc(c1)S(=O)(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_101064157	370.265	SHAQOEPKGHXGOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109908
Cc1cccc(c1Br)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318482	370.265	QCKOFHMFINAUQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109909
Cc1ccc(cc1Br)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318524	370.265	KEBLGQVLWMBVRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109910
Cc1ccc(c(c1)Br)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101320478	370.265	YQVZUGFGMBLPOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109911
Cc1ccc(c(c1)S(=O)(=O)NC1CC(n2c1ncc2)C)Br	EMOLS-id_101318467	370.265	OJTBZABXASZDPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109912
Cn1nc2c(c1NS(=O)(=O)c1ccc(c(c1)Br)C)CCC2	EMOLS-id_98227946	370.265	IKRCBWPJPUCJKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109913
Cn1nc2c(c1NS(=O)(=O)c1cccc(c1C)Br)CCC2	EMOLS-id_98227928	370.265	NCEWRNVLNLZNSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109914
Cn1nc2c(c1NS(=O)(=O)c1ccc(c(c1)C)Br)CCC2	EMOLS-id_98227970	370.265	IOCGKBPQLYSTGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109915
OCCn1ncc(c(c1=O)Br)NCc1sc2c(c1)CCC2	PC-id_114434872	370.265	OYQCRECOFDGBFZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-109916
Clc1cc(CN2Cc3n(ncc3C2)CCO)cc(Cl)c1OC(C)C	MCULE-2856131967,EMOLS-id_49881964,PC-id_77087443	370.274	RQRJUKNWXKOQRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109917
CCNC(=NCc1cc(c(n1C)Cl)Cl)NCc1nnc2n1CCC2	PC-id_109768161	370.28	LBRHWGRMVVUDCU-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-109918
COc1cc(F)c(cc1C(c1sc2c(c1)CCC2)NC)Br	PC-id_103394670	370.28	XHPMIDLQWVICRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109919
Brc1cc2c(s1)C(N(C2O)CCOS(=O)(=O)C)(C)C	PC-id_138700249,SCHEMBL21075926	370.283	VVMFSMMKSVMZBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109920
Brc1sc(C=Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24023136	370.285	FBRABYYIGIXXOE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109921
OC(=O)C1CCc2c1nc(s2)CSc1ccc(cc1)Br	PC-id_104287256	370.285	LGGBPJVIPHZMGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109922
OC(=O)C1CCc2c1nc(s2)CSc1ccccc1Br	PC-id_104287331	370.285	KJHBFXYTIINXPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109923
OC(=O)C1CCc2c1nc(s2)CSc1cccc(c1)Br	PC-id_104287378	370.285	NMNKJBGTUHEGLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109924
CCOC(=O)c1c(NCc2ccc(cc2Cl)Cl)sc2c1CCC2	PC-id_110826646	370.293	RHBPWTBVYRQTLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109925
O=C(N1CCC(C1)(C(F)(F)F)C(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101415771	370.293	LTEOEMZPHFAYDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109926
c1(NC(=O)c2ccc(cc2Cl)Cl)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426183,CoCoCo_4972633,MCULE-5779134707,ZINC22_4077215,PC-id_4283418	370.297	FPTSSBYLYZIAHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109927
c1(NC(=O)c2cc(Cl)ccc2Cl)c2CSCc2nn1C(C)(C)C	CoCoCo_4972729,MCULE-6988897336,ZINC22_4077283,PC-id_3569746,EMOLS-id_5426379	370.297	DHFZZJCNZOUWQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109928
c1(NC(=O)c2cc(Cl)cc(Cl)c2)c2CSCc2nn1C(C)(C)C	ZINC22_4077218,EMOLS-id_5426193,PC-id_4290606,CoCoCo_4972638,SCHEMBL4883014,MCULE-2151816788	370.297	SUVUFCLYIYFNCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109929
CN(CCn1ncc(c1C(c1sc2c(c1)CCC2)O)Br)C	PC-id_115834940	370.308	KMBOGTBDYYDYKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109930
COCCn1ncc(c1C(c1sc2c(c1)CCC2)NC)Br	PC-id_105042844	370.308	DYXVPEAIXSTBLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-109931
c1(NC(=O)COc2c(F)c(F)cc(F)c2F)sc2c(CCC2)c1C#N	ZINC22_2782870,PC-id_4773106,EMOLS-id_8851405,MCULE-6012288671,TIMTEC105409,CoCoCo_6580814	370.321	CPDZQTMDDIVQSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109932
COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CCC3)c(F)c1F	ZINC22_408628793	370.321	ALDQKKPWRKJAIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109933
O=C(C(F)(F)F)Nc1csc2c1C(=O)N(C2=O)CCS(=O)(=O)C	PC-id_142497351	370.325	CDDPQOBUAVJCKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109934
O=C(C(F)(F)F)Nc1scc2c1C(=O)N(C2=O)CCS(=O)(=O)C	PC-id_142497342	370.325	NGHZKUKJZCAHIY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-109935
CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1cc2n(n1)CCO2	ZINC22_291731323,EMOLS-id_316745969,MCULE-4686267304	370.326	MOSNEXUTUVUWCP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-109936
CN(C1(C)Oc2n(C1C)cc(n2)[N+](=O)[O-])Cc1ccc(cc1)C(F)(F)F	PC-id_69480334,SCHEMBL5538819	370.326	KLDIHCYCJANXEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109937
CN([C@@]1(C)Oc2n(C1C)cc(n2)[N+](=O)[O-])Cc1ccc(cc1)C(F)(F)F	SCHEMBL5538822,PC-id_69480337	370.326	KLDIHCYCJANXEG-WRXSAAJRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109938
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccc(cc1)C(F)(F)F	SCHEMBL14776016,PC-id_77659591	370.326	UQZHYNKZEBWWJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109939
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccc(cc1)C(F)(F)F	SCHEMBL5538812,PC-id_69480331	370.326	UQZHYNKZEBWWJO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109940
Fc1ccc(c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)nc2)cc1	SCHEMBL1227066,PC-id_50913046	370.335	CSLSSIUGFJHMLO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-109941
Fc1ccc(c2ncc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1227151,PC-id_50913185	370.335	AWBRPWXFUXJVEG-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-109942
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1C(F)(F)F)F	MCULE-4989013112,EMOLS-id_330973372	370.341	PREIRJOZJUOYSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109943
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(cc1F)C(F)(F)F	EMOLS-id_330973880,MCULE-3990065052	370.341	VNPHPJLKBMENFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109944
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cccc(C(F)(F)F)c1F	EMOLS-id_330976442,MCULE-7545687044	370.341	WYGNHMHMNHYEMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109945
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(C(F)(F)F)c1)F	MCULE-4472032619,EMOLS-id_330975930	370.341	GWVWFRGYRWBKLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109946
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)C(F)(F)F	MCULE-9803414830,EMOLS-id_330973624	370.341	LCCOKXUTVMNBPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109947
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(F)cc(c1)C(F)(F)F	EMOLS-id_330976698,MCULE-8640778130	370.341	QOYQYUPUTMOIRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109948
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1cc(F)ccc1C(F)(F)F	MCULE-7025271907,EMOLS-id_330973628	370.341	PERKMWCHHLKIMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109949
c1(C(=O)OC)c2C(C)CCc2nn1C(C)c1c(F)ccc(c1)C(F)(F)F	MCULE-5789710343,EMOLS-id_330976186	370.341	OCSAIFQLTHASQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109950
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(cccc2C(F)(F)F)F)n1	EMOLS-id_330997753,MCULE-7115417827	370.341	FNHMFXDMBUPBPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109951
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2C(F)(F)F)F)n1	MCULE-4770277717,EMOLS-id_330993914	370.341	VLXGQNZURQMMTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109952
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2F)C(F)(F)F)n1	EMOLS-id_330995449,MCULE-6266341125	370.341	UWBOURVSTWKYKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109953
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(C(F)(F)F)c2)F)n1	EMOLS-id_330995962,MCULE-1763464816	370.341	ZIAAPAIVQAYJMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109954
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(C(F)(F)F)c2F)n1	MCULE-5388379978,EMOLS-id_330995706	370.341	RJWZXDCTNDECKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109955
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(F)c2)C(F)(F)F)n1	EMOLS-id_330995705,MCULE-5673316007	370.341	HVYPIZGKZZDYBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109956
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)cc(c2)C(F)(F)F)n1	EMOLS-id_330996218,MCULE-5586858343	370.341	QEUINXIRLMCLNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109957
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)ccc2C(F)(F)F)n1	MCULE-9765658106,EMOLS-id_330994170	370.341	GAMXAFXUWCXXDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109958
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(F)ccc(c2)C(F)(F)F)n1	EMOLS-id_330996474,MCULE-5584605830	370.341	GGGXHYDMEFBRSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109959
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1C(F)(F)F)F	EMOLS-id_330978741,MCULE-2257371556	370.341	DKZHDURAKDAHCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109960
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_330980276,MCULE-5742504847	370.341	YRYUDWTVUOYCEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109961
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(C(F)(F)F)c1F	EMOLS-id_330980533,MCULE-5064556865	370.341	DFIDAZWBFXCJEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109962
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(C(F)(F)F)c1)F	MCULE-2729483379,EMOLS-id_330980789	370.341	YYRBBCPGHJUVHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109963
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)C(F)(F)F	EMOLS-id_330980532,MCULE-7218105373	370.341	NDBQUMFINUCJRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109964
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_330978997,MCULE-1648491183	370.341	TVCASESXYBQMKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109965
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)cc(c1)C(F)(F)F	MCULE-8247896926,EMOLS-id_330981045	370.341	SBDLDWFZUSLNDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109966
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1c(F)ccc(c1)C(F)(F)F	EMOLS-id_330981301,MCULE-7883008766	370.341	WCRYRHBSBLTCJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109967
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1C(F)(F)F	EMOLS-id_330978485,MCULE-1890880501	370.341	YKCCDYRQJFASEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109968
COC(=O)c1c2C(C)CCc2nn1C(C)c1c(F)cccc1C(F)(F)F	EMOLS-id_330977211,MCULE-7618873265	370.341	YXBNUSCVPPPETB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109969
FCCCc1cccc(c1)CN1CCn2c1c(C(=O)N)c(n2)C(F)(F)F	SCHEMBL18758770	370.345	XDRGXDKAFFBWLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109970
O=C(c1ccc(cc1)OC(F)(F)F)Nc1sc2c(c1C(=O)N)CCC2	PC-id_60001292,SCHEMBL8289838	370.346	RVCFDCXBWLLSQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109971
O=C(c1ccccc1OC(F)(F)F)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8288833,PC-id_70334924	370.346	DMPMAXDTRZFMJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109972
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OC(F)(F)F)cc1	PC-id_27684488	370.346	OIBIDJLRYNMXMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109973
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1C(F)(F)F)F	PC-id_111020635	370.348	TZJYAGCMMFUKQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109974
c1(C(=O)NCc2ccc(cc2F)F)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-4338799602,EMOLS-id_316326196	370.353	FMZANFAFUFUWIF-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109975
c1(C(=O)NCc2cccnc2Oc2ccc(cc2F)F)c2CCCc2[nH]n1	PC-id_56743619,MCULE-4846684911,EMOLS-id_36577048,ZINC22_67688688	370.353	JMGSWYQOBHMICW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109976
c1(C(=O)NCc2cccnc2Oc2ccc(c(F)c2)F)c2CCCc2[nH]n1	MCULE-1462352792,EMOLS-id_36617594,ZINC22_71315659,PC-id_56760667	370.353	UGNPRTWLXIMXCC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109977
c1(C(=O)NCc2cc(F)ccc2F)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316325177,MCULE-5013090988	370.353	IOMKPFVDKDCVKP-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109978
Fc1ccc(c(c1)CNC(=O)c1nn2c(c1)CC(C2)Oc1cccnc1)F	MCULE-9380528544	370.353	IOMKPFVDKDCVKP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109979
Fc1ccc(c(c1)F)CNC(=O)c1nn2c(c1)CC(C2)Oc1ccncc1	MCULE-6833642635	370.353	FMZANFAFUFUWIF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-109980
Cc1ccccc1OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518590	370.363	DLVTYLAMQOCLOU-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109981
Cc1ccccc1OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518591	370.363	DLVTYLAMQOCLOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109982
Cc1ccc(cc1)OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518623	370.363	RDWZVSPVPSHXPA-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109983
Cc1ccc(cc1)OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518624	370.363	RDWZVSPVPSHXPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109984
Cc1cccc(c1)OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518627	370.363	PPMBVMPZWQWUQF-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109985
Cc1cccc(c1)OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518628	370.363	PPMBVMPZWQWUQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109986
Fc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(F)c1F	EMOLS-id_328220287,MCULE-9202357640	370.368	WKSMLBYEQKWRMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-109987
Brc1c(sc(c1)C)C(NCCC)c1sc2c(CCC2)c1	PC-id_65278307	370.371	LDXUPOUXTKBXMH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109988
Brc1sc(c(C(NCCC)c2sc3c(CCC3)c2)c1)C	PC-id_65635283	370.371	HAWKDFPPJYXUJS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109989
Brc1sc(C(NCCC)c2sc3c(CCC3)c2)cc1C	PC-id_79991671	370.371	RWSJFLNSQYJICZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109990
CCCNC(c1sc2c(c1)CCC2)Cc1ccc(s1)Br	PC-id_115840955	370.371	ZHCCWIIXUQCEEA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109991
CCCNC(c1sc2c(c1)CCC2)Cc1scc(c1)Br	PC-id_115847686	370.371	WVFBOIPHXYJNDG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109992
CCCNC(c1sc2c(c1)CCC2)Cc1sccc1Br	PC-id_115848894	370.371	VXDQUHHPFKZABK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109993
CCCNC(c1sc(c(c1)Br)C)c1sc2c(c1)CCC2	PC-id_102827732	370.371	CRVCERRBQUKRNM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-109994
Fc1ccc(cc1)c1nnn(CCCC(=O)NCc2nnc3CCCn23)n1	ZINC22_223512609,EMOLS-id_55700321,MCULE-4120642073,PC-id_91793895	370.384	RXGXKHZOVVLPIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-109995
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)c1scc(n1)C(F)(F)F	EMOLS-id_101298537	370.393	VHHDAOCOWAJHOB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-109996
C[C@H](NCc1ccc(Oc2cc(F)cc(F)c2)cc1)c1nnc2n1CCC2	PC-id_95188309,ZINC22_67439750	370.396	QXEGGQIYVTVMMO-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109997
C[C@@H](NCc1ccc(Oc2cc(F)cc(F)c2)cc1)c1nnc2n1CCC2	ZINC22_65890176,PC-id_95164193	370.396	QXEGGQIYVTVMMO-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109998
Fc1cc(Oc2ccc(cc2)CNC(c2nnc3n2CCC3)C)cc(c1)F	MCULE-5591327682,EMOLS-id_48223886,PC-id_75405667	370.396	QXEGGQIYVTVMMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-109999
NC(=O)c1c(NC(=O)c2ccc(c3ccccc3F)o2)sc2c1CCC2	ZINC22_6847676,MCULE-5466267656,EMOLS-id_3528101,PC-id_8096810,CoCoCo_3828627	370.397	PEDJLCNIXBGZIF-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-110000
s1c2CCCc2cc1C(=O)NNC(=O)c1oc(c2c(F)cccc2)cc1	PC-id_24447748	370.397	NETQBXVZVMVHFU-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-110001
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(F)cc1)C#N	PC-id_78748815	370.397	YXVFGIJAZKCCIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110002
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(F)cc1)C#N	PC-id_8663803	370.397	YXVFGIJAZKCCIK-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110003
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1c(F)cccc1)C#N	PC-id_78585277	370.397	HGZPVEQJAZSFJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110004
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1c(F)cccc1)C#N	PC-id_7970323	370.397	HGZPVEQJAZSFJT-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110005
C1Cn2c(ccc2C(=O)c2ccc(cc2)OCCCCNC=O)C1C(=O)O	SCHEMBL20259444,PC-id_134604896	370.399	JACVUUZGHXWBHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110006
CCOC(=O)C1CCn2c1c(C(=O)O)c(c2C(=O)c1ccc2n1CCC2)C	SCHEMBL10995848,PC-id_20270349	370.399	LCLQAQMUQNODNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110007
COC(=O)CC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-5721045944,EMOLS-id_328216177	370.399	PSYFMUWXHGCPNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110008
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(CCC(=O)O)C(=O)O	EMOLS-id_328214389,MCULE-9774729852	370.399	FZXZAPIZRLVCBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110009
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N[C@@H](CCC(=O)O)C(=O)O	MCULE-2021695560,EMOLS-id_328216437	370.399	FZXZAPIZRLVCBK-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110010
c
(=N/C(=O)Cn2c(=O)ccc(c3ccccc3F)n2)/sc2c(CCC2)[nH]1	EMOLS-id_35785806,STOCK7S-13483,MCULE-7956750183,ZINC22_61719193,EMOLS-id_46561337,PC-id_52899507	370.401	ZLHGOQYWKFAPAX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110011
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3)F)n2)/sc2c(CCC2)[nH]1	MCULE-2309077134,EMOLS-id_35784894,ZINC22_61718721,EMOLS-id_46561762,STOCK7S-12940,PC-id_52898946	370.401	DHGBNLJCYVYPGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110012
Cc1cc(=O)c(C(=O)Nc2nc3c(s2)CCC3)nn1c1ccccc1F	MCULE-5153295805,PC-id_17402524,ZINC22_9483221,EMOLS-id_11911735,CoCoCo_4164350	370.401	QHYSKFMSSUGYKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110013
C1Cc2c(C1)[nH]nc2C(=O)NC1CCOCC1Oc1ccc(cc1)C(=O)N	PC-id_91785325	370.402	PPEDKMXQEHMLAF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110014
c1(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(cc2)C(=O)N)c2CCCc2[nH]n1	MCULE-8820482478,ZINC22_222634498,EMOLS-id_55675243	370.402	PPEDKMXQEHMLAF-HZPDHXFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110015
Cc1cc(ccc1N(C(=O)c1nn2c(c1)OCC2)C)C(=O)N1CCOCC1	EMOLS-id_99801191	370.402	OBDCPFDMWXTQOG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110016
NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_1565525268	370.402	PPEDKMXQEHMLAF-HOTGVXAUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110017
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CN1C(=O)CCC1=O	PC-id_92109444	370.402	CQCBWOLNZNDWJW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-110018
O(C(=O)N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)C)C1)C(C)(C)C	PC-id_71476791	370.402	IUKIMJMOVFLFDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110019
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)Cc1cccs1	MCULE-1752374638	370.406	LCPBNAUJOHAYAQ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110020
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)Cc1cccs1	MCULE-1895073629	370.406	SCLDORXBLHTGAL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110021
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)Cc1cccs1	MCULE-7668929882	370.406	MVBFMEXQTHCJQJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110022
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)Cc1ccccc1	MCULE-5251128878	370.406	KIWFOARCXZTDID-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110023
O=C(Nc1cccc(c1)C(=O)N1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_97960396	370.406	RJRAFJACBBBNSN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110024
O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_97960399	370.406	UOGJAYVCSNNYAM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110025
O=C(Nc1nn(c2c1CNC2)C(=O)O)c1ccc(N2CCN(CC2)C)cc1	PC-id_53487148	370.406	YFPHVKDWXKFRPO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110026
O=C(NCc1n2CCCc2nn1)c1c(N2CCCCC2)ccc([N+](=O)[O-])c1	PC-id_31821322	370.406	GNZUDNNUMWYKFW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110027
O=C(NCCc1nnc2n1CCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC22_69434473,PC-id_53524816,MCULE-8356749787,EMOLS-id_36273843	370.406	RMUHMZAQLVHSNY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110028
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324836594	370.406	LCPBNAUJOHAYAQ-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110029
[O-][N+](=O)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)s1	EMOLS-id_324834554	370.406	KIWFOARCXZTDID-XFXZXTDPSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110030
[O-][N+](=O)c1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324830458	370.406	SCLDORXBLHTGAL-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110031
[O-][N+](=O)c1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324831487	370.406	MVBFMEXQTHCJQJ-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110032
s1c2CCCc2c(c1NC(=O)CN1C(=O)[N+](=CC(C1=O)C#N)CC)C#N	PC-id_85507156	370.406	GZVCKSFONHQOOR-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-110033
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1[nH]nc(CC#N)c1C#N	EMOLS-id_328220795,MCULE-8670547736	370.407	SSTKIQGMSKHIKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110034
O=C(C1CCCCC1)Nc1cc(ccc1F)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98072155	370.421	PVCVXPCUARTBNC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110035
c1(NC(=O)COc2cccc(c2)C(=O)OCC)sc2c(CCC2)c1C#N	EMOLS-id_181305003,PC-id_84404823,MCULE-4552922260	370.422	GYVLXJKPGZJIBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110036
C[C@@H](OC(=O)c1cccc(CO)c1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_97001479,ZINC22_84001857	370.422	ITTYQHKZNVMGHA-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110037
C[C@H](OC(=O)c1cccc(CO)c1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_84001854,PC-id_97001478	370.422	ITTYQHKZNVMGHA-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-110038
CCOC(=O)c1c(NC(=O)c2ccc(OCC#N)cc2)sc2CCCc12	MCULE-2570778950,EMOLS-id_327845353	370.422	SWGPKYAIRVWUFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110039
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccccc2)sc2c1CCC2	ZINC22_6013080,PC-id_6072044,CoCoCo_3044271	370.422	GECOBFRNJKCHCV-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110040
OCc1cccc(c1)C(=O)OC(C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_44554437,PC-id_71884377,MCULE-4920201381	370.422	ITTYQHKZNVMGHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110041
O=C(/C=Cc1ccccc1)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3044272	370.422	GECOBFRNJKCHCV-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110042
O=C(C=Cc1ccccc1)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4332701,MCULE-9943524863,EMOLS-id_26047906	370.422	GECOBFRNJKCHCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110043
s1c2CCCc2cc1C(=O)OCc1onc(n1)c1c(OCC)cccc1	PC-id_18134996	370.422	HLEJOBMGJNGXNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110044
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)NC(=O)OC	PC-id_7521440	370.422	FUQJOGQSBBOLBH-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110045
s1c2c(CCC2)c(c1NC(=O)C=Cc1ccccc1)C(=O)NC(=O)OC	PC-id_78495701	370.422	FUQJOGQSBBOLBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110046
s1c2c(CCC2)c(c1NC(=O)COc1c(cccc1)C#N)C(=O)OCC	PC-id_4810530	370.422	MRAFKKBLQLLRDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110047
s1c2c(CCC2)c(c1NC(=O)COc1cc(ccc1)C#N)C(=O)OCC	PC-id_4819223	370.422	YIIUBXBTLBSVMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110048
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C#N)C(=O)OCC	PC-id_7818526	370.422	NJPDJQSVBBWKRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110049
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(ccc1OC)C)C#N	PC-id_8213256	370.422	BXSICJPUNJAIQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110050
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OCC)cc1)C#N	PC-id_1667659	370.422	LXCQQWMAKOWYLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110051
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(COC)ccc1)C#N	PC-id_9064911	370.422	WIGCQULBFIGQAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110052
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OCC)cccc1)C#N	PC-id_16523852	370.422	GXNBFHAKHUUWCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110053
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1ccc(OC)cc1)C#N	PC-id_8011458	370.422	LBVFUDVGSAWGIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110054
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1cc(OC)ccc1)C#N	PC-id_8792602	370.422	IXCLTURINFVLMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110055
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](Oc1ccccc1)C)C#N	PC-id_8790857	370.422	VLIFQZWVMUBIDZ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110056
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H](Oc1ccccc1)C)C#N	PC-id_8790863	370.422	VLIFQZWVMUBIDZ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110057
s1c2CCCc2c(c1NC(=O)COC(=O)C(Oc1ccccc1)C)C#N	PC-id_84837303	370.422	VLIFQZWVMUBIDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110058
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(cccc1)C)C#N	PC-id_8704806	370.422	SBMLZCTXYQWIHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110059
s1c2CCCc2c(c1NC(=O)COC(=O)COc1cc(ccc1)C)C#N	PC-id_8910420	370.422	BSZCSWKOFKDQIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110060
C[C@@H]1[C@@H](NC(=C1S[C@H]1Cn2cnc[n+]2C1)[C@H](O)[O-])[C@@H]([C@@H](C)O)C(=O)O	PC-id_137349014	370.424	GJACIOMQYIQIKX-FGOODDOWSA-N	00000011100000000001000010000000000000000000000000000000	25-01-110061
S(C1=C(NC(C1C)C(C(O)C)C(=O)O)C(O)[O-])C1C[n+]2n(C1)cnc2	PC-id_78382599	370.424	GJACIOMQYIQIKX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-110062
S(C1=C(N[C@H]([C@H]1C)[C@@H]([C@H](O)C)C(=O)O)C(O)[O-])[C@@H]1C[n+]2n(C1)cnc2	PC-id_5287810	370.424	GJACIOMQYIQIKX-IFAPKWNCSA-N	00000011100000000001000010000000000000000000000000000000	25-01-110063
c
(=NC(=O)c2[nH]nc(c3ccc(c(OC)c3)OC)c2)/sc2c(CCC2)[nH]1	EMOLS-id_44757715,MCULE-2044897939,ZINC22_95474099,PC-id_71702735,STOCK7S-38878,EMOLS-id_49403408	370.426	ABVQEKUVKGRCJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110064
c1(NC(=O)COc2cccnc2NC(=O)CC)sc2c(CCC2)c1C#N	EMOLS-id_321802618,MCULE-6001502335	370.426	HLJLJGXSEAZTKZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110065
C1(=O)N(c2ccc(cc2)C(=O)NCCc2sc3c(CCC3)n2)CC(=O)N1	PC-id_72923753,ZINC22_91943951,MCULE-4809584975,EMOLS-id_46087525	370.426	BQIRZVCUGKYIDK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110066
Cc1ncn(c2ccc(NC(=O)[C@@H]3Cc4c[nH]cc4S3(=O)=O)cc2)c1C	ZINC22_2325840662	370.426	KNPJGJPZXLIIFD-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110067
Cc1ncn(c2ccc(NC(=O)[C@H]3Cc4c[nH]cc4S3(=O)=O)cc2)c1C	ZINC22_2325840663	370.426	KNPJGJPZXLIIFD-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110068
COc1ccc(cc1)c1csc(n1)CCNC(=O)c1nn2CCOc2c1	PC-id_91959817	370.426	BNPSPFWZXIOMRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110069
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)N1CCCCC1)c2=O	MCULE-7600758625	370.426	KYKBCLYSESKTAQ-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-110070
N1(Cc2ccccc2)C(=O)[C@@H](NC1=O)CC(=O)Nc1sc2c(CCC2)n1	PC-id_75490094,ZINC22_96231739,STOCK7S-47011,EMOLS-id_49248466,MCULE-9884031104	370.426	MUTDRSPLZKGSRF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110071
N1(Cc2ccccc2)C(=O)C(NC1=O)CC(=O)Nc1sc2c(CCC2)n1	EMOLS-id_301039672,MCULE-3087839195,EMOLS-id_323942363,PC-id_110210009	370.426	MUTDRSPLZKGSRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110072
O=C(c1ccc(c(c1)Br)Cl)NCc1sc2c(c1)CCC2	PC-id_107999455	370.692	ZMXDIBSJMDVSTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110275
O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1nc2c(s1)CCC2	ZINC22_252538268	370.426	MUTDRSPLZKGSRF-CYBMUJFWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-110073
O=C(COc1ccc(/C=c/2sc3ncnn3c2=O)cc1)N1CCCCC1	PC-id_117588469,ZINC22_256055551	370.426	KYKBCLYSESKTAQ-GDNBJRDFSA-N	00000000100010110001000010000000000000000000000000000000	25-01-110074
s1c2CCCc2nc1NC(=O)CCc1onc(n1)c1ccc(OC)cc1	PC-id_51315214	370.426	BTYRBJUYCHTOEJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110075
S(=O)(=O)(n1nc2N(CCn2c1=O)Cc1ccccc1)c1ccc(cc1)C	PC-id_46224043	370.426	ONFJTPODGOFBHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110076
Cc1cc(C)n(n1)c1ccc(=O)n(CC(=O)Nc2nc3CCCc3s2)n1	EMOLS-id_323472246,MCULE-5929461157	370.429	PCJBDQZVJXMAOB-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-110077
Cc1nn(CC(=O)NCc2cn3CCSc3n2)c(=O)n1c1ccccc1	MCULE-5777010410,PC-id_70746648,EMOLS-id_43580165,ZINC22_77421847	370.429	WNPDJNLWHUIYOG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110078
COc1cccc(c1c1cnnc(n1)NCc1cn2c(n1)SCC2)OC	PC-id_42528307,CoCoCo_1369984	370.429	AMJVNDSWYSCCQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110079
S(=O)(=O)(c1cc(Nc2nc(Nc3n[nH]c4CCCc34)ccn2)ccc1)C	PC-id_53477115	370.429	GBDNNEZSODQIPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110080
c1(c2ccc(c(NC(=O)NCc3cn4c(SCC4)n3)c2)C)nnn(C)n1	ZINC22_299772964,EMOLS-id_68905478,MCULE-3199270939,PC-id_118777642	370.432	DFRHNIMMEJMXEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110081
O=C(Nc1cc(cc(c1C)C)n1cnnn1)NCc1cn2c(n1)SCC2	PC-id_72898462,EMOLS-id_49163854,MCULE-8585236037	370.432	ZBPZHRLHNQUAJH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110082
CCCCCCNOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_118604669,SCHEMBL17369577	370.442	RAGJDXDHKNCUCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110083
NCC(OCCc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)(C)C	SCHEMBL21075866,PC-id_138700196	370.442	DRIWQYZILNFXOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110084
NCC(OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)O)(C)C	SCHEMBL19749140	370.442	DRIWQYZILNFXOH-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110085
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1csc(CCC)n1	EMOLS-id_46071741,ZINC22_91745827,PC-id_72902060,MCULE-7796000104	370.444	FHXYDRWTMZOUCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110086
C1c2c(CN1CC(=O)NCc1cccs1)n(nc2)Cc1ccc(cc1)F	PC-id_91832449,MCULE-6786647124,EMOLS-id_55630210	370.444	ILSWPBIBRBKOJK-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-110087
c1(NC(=O)CS(=O)CC(=O)OCCOC)sc2c(CCC2)c1C#N	EMOLS-id_320675947,MCULE-6095969457	370.444	XBZTZWQOBFYZGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110088
Cc1cc(nn1CC(=O)N1Cc2c(C1)sc(n2)C)c1cc(c(cc1)F)C	PC-id_89607815,SCHEMBL15001886	370.444	BOWNUHKBJZOBKQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110089
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(cc1)F	PC-id_89607883,SCHEMBL15001966	370.444	UEPIANQQIAMYQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110090
c12CN(Cc1nn(CC(C)C)c2C(=O)NCC)C(=O)OCc1ccccc1	EMOLS-id_324356195,MCULE-3038424796	370.445	VGUKQFUVJCVTDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110091
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)CCc3ccc(cc3)OC)C2)n1	EMOLS-id_316326717,MCULE-8771033866	370.445	QENIBEMPJJFCGI-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110092
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)CCc3ccc(cc3)OC)C2)n1	MCULE-5841359612	370.445	QENIBEMPJJFCGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110093
Cc1ccc(C(=O)NC[C@@H]2CCc3ncc(C(=O)N4CCC(C)CC4)n23)o1	ZINC22_2055747755	370.445	UMHDVIPHQOJYAS-HNNXBMFYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110094
Cc1ccc(C(=O)NC[C@H]2CCc3ncc(C(=O)N4CCC(C)CC4)n23)o1	ZINC22_2055747756	370.445	UMHDVIPHQOJYAS-OAHLLOKOSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110095
CC1CCN(CC1)C(=O)c1cnc2CCC(CNC(=O)c3ccc(C)o3)n12	EMOLS-id_313762496	370.445	UMHDVIPHQOJYAS-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110096
CCOc1ccccc1CN1CCN(C(C1)C)C(=O)c1cc2n(n1)CCO2	MCULE-2442501566,EMOLS-id_177226544	370.445	ROSLYDJTGKRORB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110097
CCOc1ccccc1CN1CCN(C(=O)c2cc3n(n2)CCO3)[C@@H](C)C1	ZINC22_291619916	370.445	ROSLYDJTGKRORB-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110098
CCOc1ccccc1CN1CCN(C(=O)c2cc3n(n2)CCO3)[C@H](C)C1	ZINC22_291619927	370.445	ROSLYDJTGKRORB-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110099
COc1cccc(C2CCN(C2)C(=O)NCc2n[nH]c3CCCc23)c1OC	MCULE-7102671781,PC-id_121512411,EMOLS-id_177500842	370.445	OQAWDODOGURHBE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110100
COc1cccc([C@@H]2CCN(C(=O)NCc3n[nH]c4c3CCC4)C2)c1OC	ZINC22_426701626	370.445	OQAWDODOGURHBE-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110101
COc1cccc([C@H]2CCN(C(=O)NCc3n[nH]c4c3CCC4)C2)c1OC	ZINC22_426701627	370.445	OQAWDODOGURHBE-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110102
O(CCCC)c1c(OC)cc(/C=C/C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52371670	370.445	XDMJMNVSSGNSDR-CSKARUKUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110103
O(CCCC)c1c(OC)cc(C=CC(=O)NCc2n3CCCc3nn2)cc1	PC-id_75835043	370.445	XDMJMNVSSGNSDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110104
Cn1ncc2c1CN(C2)S(=O)(=O)c1cccc(c1)S(=O)(=O)N(C)C	EMOLS-id_316667687	370.447	DCPIGZMZNJROAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110105
O=c1n(C)cc(c(=O)n1C)S(=O)(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102020923	370.447	JEYBADAAEDGKPG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110106
OCCCNc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)O	PC-id_144988273	370.447	BLAXNALGRQAHDL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110107
s1c2CCCc2nc1NC(=O)[C@@H](NS(=O)(=O)c1c(onc1C)C)C	PC-id_52716050	370.447	KPEKSNZRICEKHC-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110108
s1c2CCCc2nc1NC(=O)C(NS(=O)(=O)c1c(onc1C)C)C	PC-id_75907893	370.447	KPEKSNZRICEKHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110109
c1(NC(=O)NCC(c2cccnc2)N2CCOCC2)n(C)nc2CCCc12	EMOLS-id_68921639,MCULE-1738161938,PC-id_118785742	370.449	ZJJPMQBKSYBQOY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110110
Cc1ccc(cc1)NC(=O)C1CCc2nnc(n12)CNC(=O)NC(C)(C)C	PC-id_134799116	370.449	YBZNNAFVVRCPFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110111
CC1OC(C)CN(C1)c1ccc(cn1)NC(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101391673	370.449	JJEIFSWINLYINA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-110112
CCCCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)Cc1cccc(c1)C	PC-id_68969926,SCHEMBL4238899	370.449	PIWSUAQGFDBAAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110113
CCCCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)Cc1ccc(cc1)C	SCHEMBL3134595,PC-id_68524234	370.449	GTANSUIFUAFZSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110114
CCCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)C(C)c1ccccc1	PC-id_90759318	370.449	IVANJMRLKWCIFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110115
CCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	SCHEMBL2916446,PC-id_10177188	370.449	NCZQQBPGDWINES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110116
Cn1nc2c(c1NC(=O)NC[C@@H](c1cccnc1)N1CCOCC1)CCC2	ZINC22_299800051	370.449	ZJJPMQBKSYBQOY-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110117
Cn1nc2c(c1NC(=O)NC[C@H](c1cccnc1)N1CCOCC1)CCC2	ZINC22_299800053	370.449	ZJJPMQBKSYBQOY-QGZVFWFLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110118
CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1C)[nH]nc2NC(=O)C)C	PC-id_143492476	370.449	KFJBOGFAOBPUDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110119
O1C(CN(CC1C)c1c(NC(=O)NCc2n3CCCc3nn2)cccc1)C	PC-id_60486941	370.449	GMXGAMREMNZSKC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110120
O1CCN(C(c2ccc(NC(=O)NCc3n4CCCc4nn3)cc2)C)CC1	PC-id_60289985	370.449	UTXCRLBYRSRLBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110121
O=CNc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145111628	370.449	WEZDARLVPWYAQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110122
O=C(NC(CC)(C)C)c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_60486757	370.449	ZDBZTDKMSLWSCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110123
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1sccn1	PC-id_16947131	370.449	WVOKVWUPIPXBOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110124
c1(NC(=O)COCCOC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390548,MCULE-8346696265	370.464	LDLQOWBHELJOJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110125
Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)OC(C)(C)C)C	SCHEMBL18748719	370.464	NJGDYLDSZAAVCX-QGZVFWFLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110126
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)CCc1ccccc1F)C2	ZINC22_1565550695,EMOLS-id_313734610	370.464	DOIXXEBHGXGOAK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110127
Fc1ccc(cc1)C(N1CCCCCC1)CNC(=O)c1n[nH]c2c1CCC2	ASN-20272111	370.464	PKQVGLTWFJFCLW-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-110128
Fc1ccc(cc1)CNC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109993	370.464	PBAZPOTUIOQIIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110129
N#Cc1c(NC(=O)C[N@H+](C2CC2)Cc2ccccc2F)sc2c1CCC2	PC-id_8977934,GD-id_ZINC07857965	370.464	WWQNMEBTNRKSDT-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-110130
s1c2c(CCC2)c(c1NC(=O)CN(CCOC)CCOC)C(=O)OC	PC-id_33483714	370.464	WBUWYYIVDADZHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110131
s1c2c(CCC2)c(c1NC(=O)C[NH+](C1CC1)Cc1ccc(F)cc1)C#N	PC-id_8905227	370.464	RZEDEJLPONRJFY-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-110132
c1(NC(=O)CC(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328483,MCULE-9462944454	370.508	QJXMRRDJQZQKCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110233
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCOCC1	BAS-01533142,ZINC22_4551506,CoCoCo_203783,MCULE-7585952965,PC-id_3132182,EMOLS-id_1341470	370.465	BMPXSAUSKWGLDS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110133
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCOCC1	CoCoCo_707252,ZINC22_1216629,EMOLS-id_2253876,PC-id_1370076,MCULE-4342523054	370.465	OLNKIUDDVJSUDP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110134
c1(c2CCCc2sc1NC(=O)C1CCCO1)C(=O)Nc1ccccc1C	EMOLS-id_13329686,TIMTEC135588,MCULE-3811907669,PC-id_17173566	370.465	DWZLYWSNBUWDFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110135
c1(c2CCCc2sc1NC(=O)C1CCCO1)C(=O)Nc1ccc(cc1)C	PC-id_17172828,EMOLS-id_13329522,MCULE-7635042705	370.465	HWUKKPOZDQOWOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110136
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335407,MCULE-3953250590	370.465	HRPUUDPXTPRZLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110137
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)NCc1ccccc1	PC-id_17174262,MCULE-1799024195,EMOLS-id_13332037,TIMTEC149590	370.465	FMNZLVDTMAMEEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110138
c1(NC(=O)Cc2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C#N	EMOLS-id_6783413,ZINC22_720598,CoCoCo_1966243,MCULE-2563923949,PC-id_1046231	370.465	UDYSPSYPOMBKPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110139
c1(NC(=O)C=Cc2ccc(cc2)OCCC)sc2c(CCC2)c1C(=O)N	PC-id_73551916,MCULE-1977036403	370.465	RGEXVQWGONGQAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110140
c1(NC(=O)C=Cc2ccccc2OCCC)sc2c(CCC2)c1C(=O)N	PC-id_73568706,MCULE-6342219911	370.465	YYCUDFUKBPGHRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110141
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NC	MCULE-5365212946	370.465	LZFYDQDVMCJOMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110142
c1(NC(=O)C=Cc2cccc(OC(C)C)c2)sc2c(CCC2)c1C(=O)N	MCULE-2071615523	370.465	YPQXZHSEFVGHBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110143
Cc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	CoCoCo_1067273,PC-id_25754695,ZINC22_13329144	370.465	DWZLYWSNBUWDFX-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110144
Cc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	ZINC22_13329142,PC-id_25754694,CoCoCo_1067274	370.465	DWZLYWSNBUWDFX-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110145
Cc1ccc(NC(=O)c2c(NC(=O)[C@@H]3CCCO3)sc3c2CCC3)cc1	ZINC22_13329164,PC-id_25754700,CoCoCo_1066782	370.465	HWUKKPOZDQOWOZ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110146
Cc1ccc(NC(=O)c2c(NC(=O)[C@H]3CCCO3)sc3c2CCC3)cc1	ZINC22_13329166,PC-id_25754701,CoCoCo_1066781	370.465	HWUKKPOZDQOWOZ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110147
CC1=C[C@@H](C)CN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)C1	ZINC22_1875264313	370.465	GPNBMPPQGYCFHD-GFCCVEGCSA-N	00000010101011000000000010000000000000000000000000000000	25-01-110148
CC1=C[C@H](C)CN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)C1	ZINC22_1875264314	370.465	GPNBMPPQGYCFHD-LBPRGKRZSA-N	00000010101011000000000010000000000000000000000000000000	25-01-110149
CCCOc1ccccc1/C=C/C(=O)Nc1sc2CCCc2c1C(=O)N	PC-id_19204234,EMOLS-id_181348470	370.465	YYCUDFUKBPGHRN-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110150
CC(C)Oc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N)c1	EMOLS-id_181348465,PC-id_84418174	370.465	YPQXZHSEFVGHBN-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110151
CCCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N)cc1	EMOLS-id_181348473,PC-id_19175050	370.465	RGEXVQWGONGQAD-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110152
C[C@@H](OC(=O)C=C(C1CC1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_94421356,ZINC22_52150684	370.465	QUIIWNIRJIQLLX-LLVKDONJSA-N	00100010100000000000000010000000000000000000000000000000	25-01-110153
C[C@H](OC(=O)C=C(C1CC1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_52150681,PC-id_94421355	370.465	QUIIWNIRJIQLLX-NSHDSACASA-N	00100010100000000000000010000000000000000000000000000000	25-01-110154
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NC)cc1	EMOLS-id_334331095	370.465	LZFYDQDVMCJOMO-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110155
COCCOCCC1C(N)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9651742,PC-id_21735850	370.465	XCTLHWNPUHGXTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110156
COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3c(s2)CCC3)c1	MCULE-9461692021,PC-id_71899616,ZINC22_83895713,EMOLS-id_44522314	370.465	WBOKZCNDZSWSGU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-110157
N#Cc1c(NC(=O)C(OC(=O)C=C(C2CC2)C2CC2)C)sc2c1CCC2	PC-id_71887731,EMOLS-id_44545078,MCULE-1270411869	370.465	QUIIWNIRJIQLLX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-110158
OC1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1sc2c(c1)CCC2	EMOLS-id_98948746	370.465	SURQWDZPMDMRSJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-110159
O=C(C1CCN(CC1)C(=O)c1sc2c(c1)CCC2)Nc1ccccc1O	CoCoCo_6774247	370.465	AZWWEKDAPKHEIN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-110160
O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	ZINC22_13329131,PC-id_25754690,CoCoCo_1075267	370.465	FMNZLVDTMAMEEO-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110161
O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	ZINC22_13329133,PC-id_25754691,CoCoCo_1075266	370.465	FMNZLVDTMAMEEO-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110162
s1c2CCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ccccc1	PC-id_45637926	370.465	NWRXDMGKBFQGPY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110163
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1	PC-id_8305987	370.465	GICWCHCKYQKDAU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-110164
s1c2c(CCC2)c(c1NC(=O)CN1CCOCC1)C(=O)c1ccccc1	PC-id_1431960	370.465	RASIPQGTQKQNHH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110165
c1(NC(=O)C(=O)NCCC(C)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBLF2820-0698,PC-id_18586550,ZINC22_10250636,MCULE-4071919685,EMOLS-id_5625812,CoCoCo_5190605	370.467	JDQAMWXTIULELP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110166
c1(CN(Cc2ccco2)C(=O)NCc2cccs2)c2CCCc2n(C)n1	PC-id_86266544,EMOLS-id_50145262,MCULE-7533708372	370.469	GQLLKJLDEYVDKJ-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-110167
c1(NC(=O)C2CC2)c2CSCc2nn1CC(=O)NCCc1ccccc1	EMOLS-id_24913629,CoCoCo_5277818,ZINC22_23139649,PC-id_30862867,MCULE-5394105931	370.469	CPXKYXAUPLEOFL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-110168
c1(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)n(C)nc2CSCc12	EMOLS-id_334563003,MCULE-4815905392	370.469	LZMLSUXOVHQJEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110169
c1(NC(=O)C=Cc2ccccc2)c2CSCc2nn1CC(=O)NCCC	PC-id_30862187,MCULE-8226417397	370.469	HICAXYNYCKPXTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110170
Cc1cc(c(n1CCOC)C)C=C(C#N)C(=O)Nc1nc2c(s1)CCC2	PC-id_91942091,MCULE-2810557738	370.469	YBGCSSXOUBDKRG-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-110171
Cc1sc(c(n1)C)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109434	370.469	XAINDGAJVCRMTA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-110172
CCCNC(=O)Cn1nc2c(c1NC(=O)/C=Cc1ccccc1)CSC2	CoCoCo_5277533,EMOLS-id_45809262,ZINC22_35127723	370.469	HICAXYNYCKPXTN-HJWRWDBZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110173
CCCNC(=O)Cn1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2	ZINC22_97603971,EMOLS-id_337754061,CoCoCo_5277534	370.469	HICAXYNYCKPXTN-CMDGGOBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110174
Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cn1	PC-id_95089201,ZINC22_65065807	370.469	BMYLKHBRDCXXLJ-KBPBESRZSA-N	00100010100000000001100010000000000000000000000000000000	25-01-110175
Cn1cc([C@H]2C[C@H]2C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cn1	PC-id_97009917,ZINC22_84317891	370.469	BMYLKHBRDCXXLJ-ZIAGYGMSSA-N	00100010100000000001100010000000000000000000000000000000	25-01-110176
Cn1cc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cn1	ZINC22_84317885,PC-id_97009915	370.469	BMYLKHBRDCXXLJ-KGLIPLIRSA-N	00100010100000000001100010000000000000000000000000000000	25-01-110177
Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cn1	ZINC22_84317888,PC-id_97009916	370.469	BMYLKHBRDCXXLJ-UONOGXRCSA-N	00100010100000000001100010000000000000000000000000000000	25-01-110178
Cn1ncc(c1)C1CC1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2	PC-id_71881308,EMOLS-id_44561375,MCULE-7831500034	370.469	BMYLKHBRDCXXLJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-110179
COCCn1c(C)cc(c1C)/C=C(/C(=O)Nc1sc2c(n1)CCC2)C#N	PC-id_100081377	370.469	YBGCSSXOUBDKRG-XNTDXEJSSA-N	00000010110000000001000010000000000000000000000000000000	25-01-110180
n1c2CCCc2sc1CCNC(=O)Nc1ccc(cc1)N1CCCC1=O	MCULE-2917650001,EMOLS-id_68890916,ZINC22_299755918,PC-id_118770599	370.469	GCGGCVYHPTYDLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110181
N#Cc1c(NC(=O)CCN2CCCC2c2onc(c2)C)sc2c1CCC2	EMOLS-id_98535883	370.469	ZWTZGZUEIYLYOU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-110182
O=C1NCCN(C1c1ccccc1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002040	370.469	LXTMASXNQCIPHF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110183
O=C(c1ccc(c(c1)NC(=O)c1n[nH]c2c1CCC2)C)N1CCSCC1	EMOLS-id_98133583	370.469	PIAJBVGYSNIXNI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110184
O=C(C1CSCN1C(=O)c1n[nH]c2c1CCC2)Nc1ccc(cc1C)C	EMOLS-id_98313168	370.469	ZWPCSTZTJSDZBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110185
s1c2CN(C(=O)c2nc1N(C(=O)NC1CCCC1)C)Cc1ccccc1	PC-id_53188463	370.469	NTGJOZZMWBWWJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110186
S1Cc2c(nn(c2NC(=O)C=CC)CC(=O)NCCc2ccccc2)C1	PC-id_44053811	370.469	JWVJJMZQAWEXEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110187
COC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CCC2	PC-id_8894089,ZINC22_7780239,MCULE-7225449742,EMOLS-id_11673304,CoCoCo_2928066	370.47	SWOFTLFRXDRUTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110188
c1(NC(=O)CS(=O)CC(OCC)OCC)sc2c(CCC2)c1C#N	MCULE-2638207547,EMOLS-id_320645368	370.487	UROFLCGXZMNZNX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110189
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC1(c2ccccc2)CC1	MCULE-7418399285,EMOLS-id_328216944	370.487	QIUJVPPSGIGPHQ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-110190
Cc1ccccc1N1CCN(CC1)CCCCn1c(c2CCCn2c1=O)O	BindingDB_PC-id_91931495,PC-id_91931495	370.488	XSGOCTJPUHCQAL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110191
Cc1ccc(C(=O)c2c(NC(=O)CSCC#N)sc3c2CCC3)cc1	EMOLS-id_320373276,PC-id_145890718,ZINC22_192580386,MCULE-9935212791	370.488	XKJLSNJGPHXJNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110192
Cc1ccc(Nc2nc(COC(=O)c3cc4c(s3)CCC4)cs2)cc1	ZINC22_4400973,PC-id_7224650,MCULE-8395889786,CoCoCo_2840816,EMOLS-id_11780567	370.488	LAIVIVTZLJZODO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110193
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CN1Cc2c(C1N)nc[nH]2	PC-id_90848793	370.488	RQGZPPSLPAHZPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110194
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2	ZINC22_1565554099	370.488	KCDKVNRSMRTOGI-OAQYLSRUSA-N	00000010100011000001000010000000000000000000000000000000	25-01-110195
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2	ZINC22_1614933867	370.488	KCDKVNRSMRTOGI-NRFANRHFSA-N	00000010100011000001000010000000000000000000000000000000	25-01-110196
CC(C)n1nc(CN2CCCC2=O)c2CN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313734870	370.488	KCDKVNRSMRTOGI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-110197
COc1ccc(cc1)C[N@H+]([C@H](C(=O)Nc1sc2c(c1C#N)CCC2)C)C	GD-id_ZINC26168523	370.488	DVTNEHQECIKNNF-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110198
COc1ccccc1C[N@H+]([C@H](C(=O)Nc1sc2c(c1C#N)CCC2)C)C	GD-id_ZINC26190718	370.488	RFDLYKGVWRTZTL-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110199
COc1cccc(CN2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)c1	ZINC22_2055718006,EMOLS-id_313733588	370.488	TUWNETWAFUXJSQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110200
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCc1c(C)noc1C	PC-id_92109707	370.488	ADBKOELJQZNZEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110201
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)NC1CCCCCC1	PC-id_92109593	370.488	HEOKRBTXTBIVCX-UHFFFAOYSA-N	00000010101000000101000010000000000000000000000000000000	25-01-110202
s1c2CCCc2cc1C(=O)Nc1sc(c(n1)c1ccc(OC)cc1)C	PC-id_8780949	370.488	SYFIRMFIEMAUQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110203
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)Nc1ccccc1	PC-id_6980584	370.488	LXKVLPLIQLSCFS-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110204
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(OCC)cc1)C)C#N	PC-id_8024039	370.488	PVBNFDUDTFMELJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110205
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(OC)ccc(c1)C)C)C#N	PC-id_8805420	370.488	KORWEBSSTRPVKY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110206
c1(C(=O)N2CCC(CC2)c2nccn2CCCN(C)C)c2CCCc2[nH]n1	PC-id_72855436,EMOLS-id_48443768,MCULE-7762744452,ZINC22_95502441	370.492	SGNDJXUAXSJDRA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110207
c1(C(=O)NC2CCCN(Cc3nccn3C(C)C)CC2)c2CCCc2[nH]n1	MCULE-1026096439,EMOLS-id_44447293,PC-id_70772948	370.492	YWKLUCROQNYVDG-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-110208
c1(NC(=O)Cc2csc(c3ccc(cc3)C)n2)n(C)nc2CSCc12	MCULE-1905287467,EMOLS-id_320472640	370.492	QKJZDMNQVXRPOS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110209
c1(NC(=O)Cc2csc(c3cccc(C)c3)n2)n(C)nc2CSCc12	EMOLS-id_320474446,MCULE-1501092204	370.492	JCUZXJYCVVXBPQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110210
CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N(C)Cc2n[nH]c3c2CCC3)[nH]1	MCULE-8040906297,PC-id_56881470,EMOLS-id_43054772,ZINC22_72120653	370.492	AQOAQPVHMZBBJT-GJZGRUSLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-110211
CCC(CNc1[nH]nc2c1CN(C2)NC(=O)Nc1cc(C)ccc1C)CC	SCHEMBL3256238,PC-id_68569631	370.492	AJFLUZXUDLPSGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110212
CC(C)n1ccnc1CN1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_82145837,PC-id_96579898	370.492	YWKLUCROQNYVDG-HNNXBMFYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-110213
CC(C)n1ccnc1CN1CCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_82145840,PC-id_96579899	370.492	YWKLUCROQNYVDG-OAHLLOKOSA-N	00000010100000000101000010000000000000000000000000000000	25-01-110214
CCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCC2)NCC	PC-id_109628827	370.492	DWRCJXXSPZNBNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110215
CCC(Oc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCC2)C	PC-id_109678865	370.492	IBPMBCCUDNGBQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110216
CCN1CCC[C@@H](CN(C)C(=O)c2n[nH]c3c2CCC3)[C@@H]1c1cnn(C)c1	MCULE-5849766937,EMOLS-id_112032443,ZINC22_328616821	370.492	CCHQXACIGFFXLY-IFXJQAMLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110217
CCn1nc2c(c1N)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL13454847,PC-id_70907676	370.492	ITISSLBKZDPKEE-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110218
CCNC(=NCc1ccc(cc1OC(C)C)C)NCc1nnc2n1CCC2	PC-id_109630148	370.492	ANOYUSHUWPDFQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110219
CCNC(=NCc1nnc2n1CCC2)NCCC(c1ccc(cc1)OC)C	PC-id_111640660	370.492	OQLDWTJCCHYLSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110220
CCNC(=NCc1nnc2n1CCC2)NCC(COCc1ccccc1)C	PC-id_111020119	370.492	SJXWIQOCFDCQBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110221
CCNC(=NCc1nnc2n1CCC2)NCCCOC(c1ccccc1)C	PC-id_111020531	370.492	UTGNULJSDFBOOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110222
CNc1n[nH]c2c1CN(C2C(C)C)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145111595	370.492	PBDPFHOTBJSRAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110223
CN=C(NC(c1ccc(cc1)OCC(C)C)C)NCc1nnc2n1CCC2	PC-id_109748493	370.492	LKDUKFJMTXYCCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110224
O1CCN(CC1)Cc1cn[nH]c1C1CCCN(C1)Cc1nn2c(c1)CCC2	EMOLS-id_318099118	370.492	YMKDHPLJWSEUQZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110225
O=C(N1C(c2nn(c(N)c2C1)CC)(C)C)NC(CN(C)C)c1ccccc1	PC-id_77950951	370.492	ITISSLBKZDPKEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110226
O=C(NC(c1n2CCCc2nn1)C(C)C)N(Cc1ccc(N(C)C)cc1)C	PC-id_60273685	370.492	WYGPIDBAJYDORC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110227
O=C(N(Cc1n[nH]c2c1CCC2)C)C1C(CN(C1)C)c1nc([nH]c1C)CC	PC-id_76422648	370.492	AQOAQPVHMZBBJT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-110228
s1c2CCCc2cc1C(=O)NN=Cc1c(n(c(c1)C)c1sccn1)C	PC-id_84958172	370.492	NFLJZLOROUXBJM-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-110229
c1(c2CCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccccc1CC	ChEMBL-DNDi_CHEMBL3261-0951,EMOLS-id_1088259,MCULE-2780838997,CoCoCo_734996,ZINC22_4211542,PC-id_2883988	370.508	HHGXFQNDBBWSGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110230
c1(c2CCCc2sc1NC(=O)CN(CC)CC)C(=O)c1ccccc1C	CHEMBL1406371,ChEMBL-DNDi_CHEMBL1406371,MCULE-5260088496,PC-id_1442555,ASN-05542140,EMOLS-id_6594647,ZINC22_1342672	370.508	NHSWNXUXMWNWFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110231
c1(NC(=O)CCc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)N	MCULE-2494246154,PC-id_19221207	370.508	KVFLUQBGQBCESS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110232
c1(NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1099241441,EMOLS-id_334328748	370.508	YZAURBDHKFSDGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110234
c1(NC(=O)CCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6196943341,EMOLS-id_334333601	370.508	ASKUAUGKXHQVOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110235
CC1Cc2c(N1CCN1CCOCC1)sc(c2)C(=O)c1ccccc1C	SCHEMBL14670761,PC-id_71244221	370.508	HOFLOTLNQAOIIY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110236
Cc1ccc(cc1)C(NC(=O)c1sc2c(c1)CCC2)CN1CCOCC1	EMOLS-id_11872878,MCULE-1976589293,PC-id_16393109	370.508	CUKNPMKREDLKOL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110237
Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_4202423,ZINC22_23763147,PC-id_9144637	370.508	CUKNPMKREDLKOL-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110238
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc3c(s2)CCC3)cc1	PC-id_9144635,CoCoCo_4202424,ZINC22_23763143	370.508	CUKNPMKREDLKOL-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110239
COc1ccc(cc1)C(N1CCCC1)CNC(=O)c1sc2c(c1)CCC2	MCULE-6373637630,PC-id_17395176,EMOLS-id_11888345	370.508	VGRUFVIURIIUEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110240
COc1ccc(cc1)C(=O)c1cc2c(s1)N(C(C2)C)CCN1CCCC1	SCHEMBL14670814,PC-id_71244242	370.508	AIEJQNYADSJWPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110241
COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCC3)N2CCCC2)cc1	PC-id_41074714,ZINC22_9448977,CoCoCo_3645920	370.508	VGRUFVIURIIUEC-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110242
COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCC3)N2CCCC2)cc1	ZINC22_9448973,PC-id_41074709,CoCoCo_3645919	370.508	VGRUFVIURIIUEC-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110243
O(c1c(cc(C[NH+](Cc2n[nH]c3c2CCC3)C)cc1OC)CC=C)C(C)C	PC-id_52393820	370.508	FOKHMSPBCMWWSM-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-110244
s1c2c(CCC2)c(c1N=Cc1ccc(N(CC)CC)cc1)C(=O)OCC	PC-id_23939279	370.508	YDGNQQYNHDXIPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110245
c1(NC(=O)CSC2=NCCS2)sc2c(CCC2)c1C(=O)OCC	ZINC22_4125455,BAS-01313825,PC-id_3129894,CoCoCo_189694,STOCK3S-28597,MCULE-8651424377,EMOLS-id_1329238	370.51	AGHBVDXLRJNCSO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-110246
CCOC(=O)n1c(c2CNC(c2n1)(C)C)NC(=O)C(C)(C)S(C)(C)C	SCHEMBL20348588,PC-id_135195456	370.51	YTLOECAFUBOWHW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110247
c1cc(C2CC2)nnc1OCC1CCN(Cc2nc3c(s2)CCC3)CC1	EMOLS-id_317465687,ZINC22_1775995670,MCULE-5096047149	370.512	DJEKZZUGZZLPJR-UHFFFAOYSA-N	00100010100010100001100010000000000000000000000000000000	25-01-110248
Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	CoCoCo_4254202,EMOLS-id_11911429,PC-id_17548343,MCULE-2125271464	370.512	WZZRZDABWPEMLD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-110249
CC/C(=C/1C(=N)Sc2c1[nH]nc2NCc1ccc(cc1)C(CC)(O)C)/C	PC-id_145425216	370.512	HWNZDNQXSVIHMR-FVLYSNIGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110250
C#CCCC1(CCC(=O)N2CCC(Cc3nc4c(s3)CCC4)CC2)N=N1	ZINC22_1875368733,PC-id_146149763	370.512	MMIWMXVPCYYFKG-UHFFFAOYSA-N	00110010100010000001000010000000000000000000000000000000	25-01-110251
CCC(CC)c1nc2s/c(=Cc3ccc(cc3)N(CC)CC)/c(=O)n2n1	EMOLS-id_324853484	370.512	HXATUTGVITZVGB-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110252
CSc1ncccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109962	370.512	TWQSWJVVPTUBGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110253
n12c(=O)c(=Cc3ccc(N(CC)CC)cc3)sc1nc(C(CC)CC)n2	MCULE-3025785454	370.512	HXATUTGVITZVGB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110254
O=C(N1CCC(CC1)Cc1cccnc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005667	370.512	FNXKIOHTVCGELD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110255
O=C(N1CCCCCC1c1ccncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000090	370.512	AZKYOJYXMFHSNM-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-110256
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CSc1ccncc1	PC-id_92109963	370.512	JTVWDXHBRNQJFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110257
O=C(Nc1sc2c(n1)CCC2)CN1CCC(CC1)Nc1cccc(c1)C	EMOLS-id_99601932	370.512	CATCMQOGTKYHSF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110258
CCNC(=NCc1nnc2n1CCC2)NCC1(CC1)Sc1ccccc1	PC-id_111557644	370.515	YKDLEWNMHKFZHL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-110259
CN=C(N1CCC(C1)CSc1ccccc1)NCc1nnc2n1CCC2	PC-id_111748638	370.515	IRWWMCBFNREPNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110260
c1(NC(=O)CCCSC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390291,MCULE-3052680471	370.53	OFYBKHSXJWIHLG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110261
O=S(=O)(c1cnc2n1CCC2)NCC1(CCCC1)N1CCSCC1	EMOLS-id_100203159	370.533	IVCRUSWJEHNVDQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110262
S1SCCC1CCCCC(=O)NNC(=O)c1sc2CCCc2c1	PC-id_24644294	370.553	DOSHKNLLYCEOGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110263
CC(c1ccc(cn1)C(C)(C)C)(CC1CCc2c1sc(n2)C(C)(C)C)C	SCHEMBL19557870	370.594	LZWKSPXWMBMOKF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110264
Brc1cc(C(=O)N(Cc2n3CCCc3nn2)C)c(Cl)nc1	PC-id_61999693	370.632	SKNAGIAMILUSRV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110265
Brc1cc(C(=O)NC(c2n3CCCc3nn2)C)c(Cl)nc1	PC-id_62000068	370.632	FVTHFRHUHDREAT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110266
O=C(NCc1nnc2n1CCC2)Nc1ccc(Br)cc1Cl	MCULE-9745580265,PC-id_52190883,ZINC22_43420476,EMOLS-id_44110323	370.632	DCTCNLHPQCIPGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110267
ClC(Cl)(Cl)[C@@H](Nc1sc2c(CCC2)c1C(=O)N)NC(=O)C	PC-id_7568159	370.682	GXGXMYPGSAWULZ-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110268
ClC(Cl)(Cl)[C@H](Nc1sc2c(CCC2)c1C(=O)N)NC(=O)C	PC-id_7568196	370.682	GXGXMYPGSAWULZ-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-110269
ClC(Cl)(Cl)C(Nc1sc2c(CCC2)c1C(=O)N)NC(=O)C	PC-id_4408748	370.682	GXGXMYPGSAWULZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110270
Brc1cc(C(=O)NCc2sc3CCCc3c2)c(Cl)cc1	PC-id_61208794	370.692	JQFQVHLIKXTJFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110271
Brc1c(Cl)cc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_81307348	370.692	YZOYWRGQRYPRTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110272
Clc1cc(Br)cc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_107952211	370.692	JIKHDBWAMAGCMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110273
Clc1ccc(c(c1)Br)C(=O)NCc1sc2c(c1)CCC2	PC-id_103764392	370.692	IWPLEBYSWWBUDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110274
O=C(c1cccc(c1Cl)Br)NCc1sc2c(c1)CCC2	PC-id_103989181	370.692	KABIERIVACVBIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110276
O=C(c1sc2c(c1)CCC2)Nc1cc(Cl)c(cc1Br)C	PC-id_104724165	370.692	APOKINMXCCPIIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110277
Brc1ccc(CC(NC2CCc3sc(Cl)cc23)C)cc1	PC-id_81251509	370.735	KUQGAFLHRMKBGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110278
Brc1ccc(C(NC2CCc3sc(Cl)cc23)CC)cc1	PC-id_81252057	370.735	UUIZZYYKMJBORO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110279
Brc1cc(Cl)c(C(NCc2sc3c(CCC3)c2)C)cc1	PC-id_82774496	370.735	RUOAHMZVGGOAPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110280
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)Br	PC-id_105037656	370.735	DCTTZECSTJNCBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110281
Clc1c(cc(/C=C/C(=O)NCc2n3CCCc3nn2)cc1)C(F)(F)F	PC-id_52371668	370.757	YZHVFVWINUGVQG-GQCTYLIASA-N	00000010100000110001000010000000000000000000000000000000	25-01-110282
Clc1c(cc(C=CC(=O)NCc2n3CCCc3nn2)cc1)C(F)(F)F	PC-id_75835041	370.757	YZHVFVWINUGVQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110283
Clc1c(/C=C/C(=O)NCc2n3CCCc3nn2)cc(cc1)C(F)(F)F	PC-id_52371669	370.757	YYTNVHRMASASIA-ZZXKWVIFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110284
Clc1c(C=CC(=O)NCc2n3CCCc3nn2)cc(cc1)C(F)(F)F	PC-id_75835042	370.757	YYTNVHRMASASIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110285
Clc1ccc(c2oc(C(=O)Nc3n[nH]c4c3CN(C4)C(=O)C)cc2)cc1	SCHEMBL2921703,PC-id_10177203	370.79	CUHXGGNVZZIPMM-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-110286
c1(C#N)c2CCCc2sc1NC(=O)Cn1c(C)c(c(C(F)F)n1)Cl	TIMTEC528032,MCULE-2029169305,ZINC22_2781546,PC-id_4771949,EMOLS-id_4048245	370.805	WMSJIMAFQNIGTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110287
CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1	PC-id_45336150,MCULE-8276358894,EMOLS-id_45741853,ZINC22_13252437	370.811	ODBNHDLFZWXZMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110288
CN(Cc1nnc2n1CCC2)S(=O)(=O)c1cc(C(=O)O)ccc1Cl	ZINC22_13252435,MCULE-2930961116,PC-id_45336149,EMOLS-id_45741851	370.811	JCIGCTLYEQFPCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110289
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960050	370.831	BAEANOLZQHRPES-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110290
CCOC(=O)n1nc2c(c1NC(=O)C(C)(C)C)CN(C2(C)C)C(=O)Cl	SCHEMBL1206429,PC-id_57523207	370.831	ALYIQWLCMRIONK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110291
Clc1ccc(cc1)CNC(=O)c1sc2c(c1C)C(=O)NS2(=O)=O	CoCoCo_6775078	370.831	YHYZRHWVWAVMMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110292
ClCCCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1ccccc1	PC-id_76308340	370.833	ADRQRCQBNVWFPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110293
ClCCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1c(cccc1)C	PC-id_51039302	370.833	IXQOJQFCJHTTJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110294
CCc1c(C(=O)NCc2nnc3n2CCC3)cnn1c1cccc(Cl)c1	MCULE-8633360945,EMOLS-id_29590224,PC-id_32178810,ZINC22_24861209,CoCoCo_4782709	370.836	HXVMVCSAULSXOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110295
Clc1c2n([NH+](CCNC(=O)C(CCC(C)C(=O)O)(C)C)C=N2)nc1C	PC-id_73865023	370.854	KKQXIJQVXCZSKM-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-110296
ClC1(C(=Nn2cnnc12)C)Sc1ccc(cc1)OCc1ccccc1	MCULE-3654152177,PC-id_22898285	370.856	MTGGLNUATZXMKI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-110297
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)n1	PC-id_7254311,MCULE-9869480686,CoCoCo_5138101,EMOLS-id_5565184,ZINC22_4496237	370.874	KMKJBMODOSKLBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110298
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)c(cc1)C	PC-id_38889664	370.874	IDQCWESXEXYHSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110299
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)ccc(c1)C	PC-id_32674718	370.874	FOVNPSAEUQIELY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110300
Clc1cc(S(=O)(=O)C2CN(c3sccc23)CCN(C)C)ccc1	PC-id_22149026,SCHEMBL5236757	370.917	ITUJSFCKKDIDGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110301
Clc1cc(S(=O)(=O)c2sc3N(CCc3c2)CCN(C)C)ccc1	PC-id_69365669,SCHEMBL5236764	370.917	LVZSGXSXDGZUAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110302
Clc1c(S(=O)(=O)C2CN(c3sccc23)CCN(C)C)cccc1	PC-id_22149030,SCHEMBL5238913	370.917	VZTQNBSPRWNGLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110303
Clc1c(S(=O)(=O)c2sc3N(CCc3c2)CCN(C)C)cccc1	PC-id_69366528,SCHEMBL5238919	370.917	VLZHFVAZOKIDKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110304
O=C(N(C1CC1)CCCNC1CCc2c1cc(s2)Cl)OC(C)(C)C	PC-id_113935312	370.937	GJEYTWBPTMHSCM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-110305
O=C(OC(C)(C)C)NC1CCC(CC1)NC1CCc2c1cc(s2)Cl	PC-id_113935128	370.937	LKWIGVGZAPTHRQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-110306
CCOC1=C(C(=C(C(=C1)N=C2N3CC(CC3=NS2)C)F)C(=O)O)Cl	PC-id_153706581	371.051	XRFARPSLNLVUJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110307
Cn1c(c2C[C@H](Cn2c1=S)C#C/C(=CC=C(/CF)Cl)/F)CC(=O)N	PC-id_164036576	371.067	VMOCPRCGERTQKP-XSVZNZSFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110308
C[C@@]1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ncc(nc1)c1ccc(cc1)F	PC-id_164148596	371.103	ZCQDJADLEOACNA-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110309
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3)S(=O)C4=CNN=C4	PC-id_164872156	371.105	LFRSQGNOZUXRQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110310
CC1=CC=CC=C1CC(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CC=NN4	PC-id_164872280	371.105	VADOOTSLSHBESS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110311
c12CN(Cc1nn(CC(F)F)c2I)C(=O)OCC	EMOLS-id_324345700,MCULE-5399306799	371.122	UDBSDMHVHZNZHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110312
CC1=C(C(=NN1CC(F)F)C)SN2C=C3CN(CC3=N2)C(=O)CCO	PC-id_164872142	371.123	KSKBWNONJURMCX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110313
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)SC3=CN(N=C3)CC(F)F	PC-id_164872050	371.123	UYPHDKIXCSWUOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110314
CC(C)C(=O)NC(=N/C=C(/C1=C(SC2=C1CCC2)C(F)(F)F)N=C)C	PC-id_155175695	371.128	OQRLZQYKNQJHKG-WQLSENKSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110315
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)CC3=CC=CC=C3C	PC-id_164872019	371.13	MPSMOLDPBCTFML-YAXRCOADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110316
Ic1c(sc2[Se]CCc12)C(C)(C)C	PC-id_49844923	371.14	ZLQXVLHDGDCLSY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110317
CC(=N/C=C(/c1nc(c(cc1)N)NC(=O)N1Cc2cn(nc2C1)C)S)C	PC-id_163620639	371.153	HNUKYJPISXDXDA-UUASQNMZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110318
CC1(C2=C(CN1CC3=CC(=CC=C3)C#N)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164616696	371.175	VHNFKNSUZFGTIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110319
CC1=C(C=CC=C1Cl)N2CCC(CC2)CCN3C4=C(CCC4)C(=N3)C=O	PC-id_153565256	371.176	KNZTYEWGSZLJGM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110320
c1(C(F)F)c2CCCc2n(CC(=O)Nc2ncc(cc2)Br)n1	EMOLS-id_8867461,PC-id_19590982,TIMTEC252153,MCULE-7970139592,ZINC22_36613916	371.18	JWZJMSHEZHZNAE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110321
CN(Cc1nnc2n1CCC2)C(=O)c1cc(Br)c(F)cc1F	ZINC22_683231994	371.18	DSUFJMFYPSUHLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110322
c12CN(Cc1nn(CCF)c2I)Cc1ccccc1	MCULE-3652409329,EMOLS-id_324342118	371.192	XGYPTOGBOFKWIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110323
CC1CCc2c1c(N)nn2Cc1cc(F)ccc1I	MCULE-1813174380,EMOLS-id_330964218	371.192	WHHNJRDWMWFCDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110324
CC1CCc2c1c(N)nn2Cc1c(F)cccc1I	EMOLS-id_330963962,MCULE-9251787017	371.192	YZIZYVGQDFLHTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110325
CC1CCc2nn(Cc3cc(F)ccc3I)c(N)c12	MCULE-8087968893,EMOLS-id_331013287	371.192	LPEHIFDJLKYGTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110326
CC1CCc2nn(Cc3c(F)cccc3I)c(N)c12	MCULE-5177156768,EMOLS-id_331013031	371.192	XJKPHHQRTKQTLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110327
CC(C)(C)OC(=O)C1=C(N=C2N1CCC2)NC(=O)CCC3(N=N3)CCC#C	EMOLS-id_317328426,MCULE-5930997140,PC-id_154773541	371.196	VKTGAHSLKWAEBA-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-110328
COCCOc1c(Cl)cc(cc1Cl)NC(=O)N1CCn2c1ncc2	EMOLS-id_319304032	371.219	OXCMWOFVPWFEEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110329
COc1cc(F)c(Cn2nc3CCC(C)c3c2CBr)c(F)c1	EMOLS-id_331012283,MCULE-6445573397	371.22	DIDSMGVQTDHONY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110330
COc1cc(F)c(Cn2nc(CBr)c3C(C)CCc23)c(F)c1	MCULE-7321362311,EMOLS-id_331033345	371.22	UTTHGEBVMJLMHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110331
Brc1cc(F)c(OCC(=O)Nc2sc3CCCc3n2)cc1	PC-id_26723288	371.225	VHZREKZWCYJYTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110332
Brc1cc(NCc2sc3c(c2)CCC3)c(cc1F)[N+](=O)[O-]	PC-id_116737009	371.225	OBVNGVWLTNTTTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110333
Brc1cc([N+](=O)[O-])c(NCc2sc3c(CCC3)c2)cc1F	PC-id_66110466	371.225	XJAXSQIYWMMVKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110334
Brc1c(OCC(=O)Nc2sc3CCCc3n2)ccc(F)c1	PC-id_30796755	371.225	NEFGAEOIOGXVPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110335
OC(=O)C1CCc2c1nc(s2)Nc1cc(Br)c(cc1C)F	PC-id_107590471	371.225	QNEIMEABQUUQPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110336
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)c(cc1C)Br	PC-id_116463437	371.225	NLFYJSAGYVPILX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110337
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ncc(Cl)cc1Cl	PC-id_4570226,ZINC22_5308177,CoCoCo_2840760	371.238	PCFUHLUMKMMPII-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110338
Brc1ccc(cc1S(=O)(=O)N1CCn2c1ncc2)N(C)C	MCULE-7685766613,EMOLS-id_319931952	371.253	BQYPMNNPVJZVCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110339
Brc1ccc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_16588351	371.253	QLYNUUIZOAJZTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110340
Brc1ccc(S(=O)(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_61217464	371.253	QPYJTDSJLNTAIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110341
Brc1cc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_60707762	371.253	OTVXJGOJSUXKLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110342
Brc1cc(S(=O)(=O)NC(c2n3CCCc3nn2)C)ccc1	PC-id_61217639	371.253	VRNISCQQIKQNPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110343
Brc1c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cccc1	PC-id_60707780	371.253	LGIGUTUJKAQFIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110344
Brc1c(S(=O)(=O)NC(c2n3CCCc3nn2)C)cccc1	PC-id_61217465	371.253	YGLJSPDMDPAHSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110345
OCC(NC(=O)c1c(Br)nc2n1CCC2)Cc1cncs1	EMOLS-id_316593610	371.253	AHASWDPSRUGSNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110346
BrC(c1sc2c(CCC2)c1)c1cc(OC)c(OC)cc1F	PC-id_63447772	371.264	WHDKYAUAJAGQDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110347
O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc(Br)s1	PC-id_7623886,CoCoCo_2840982,ZINC22_5308776,MCULE-6323435516,EMOLS-id_3581789	371.269	WUZDPDLBVLPSJF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110348
Brc1c(scc1)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_63800763	371.273	XZPSLVJIJFFNGK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110349
Brc1scc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_60955958	371.273	VQNHDVBLGMZTOD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110350
Brc1scc(C(=O)NNC(=O)c2sc3CCCc3c2)c1	PC-id_37723129	371.273	XVPCHGSBOSEJQR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110351
Brc1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_60628998	371.273	DWKCMSXIVYHFHE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110352
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)n1	MCULE-4361896908,EMOLS-id_181474753,PC-id_5044967	371.281	WKCSRSIBGIOTOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110353
COCCn1ncc(c1C(c1sc2c(c1)CCC2)NN)Br	PC-id_105337312	371.296	CSIRQSFSFWXORX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110354
s1c2c(CCC2)c(c1NC(NC(=O)C)(C(F)(F)F)C(F)(F)F)C#N	PC-id_539999	371.301	UPFULGSSUHURIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110355
O=C(c1nc2n(c1)NC(S2)C(F)(F)C)Nc1c(O)cccc1[N+](=O)[O-]	SCHEMBL18678403	371.319	YRLCUXLGVKHRLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110356
Fc1ccc(c2cnc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)nc2)cc1	PC-id_50913186,SCHEMBL1227833	371.323	TYEIBEKUCJZHMX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110357
Fc1ccc(c2ncc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cn2)cc1	PC-id_50913187,SCHEMBL1227769	371.323	ZVCBWYISQGQTBZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110358
Fc1ccc(c2ncc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)nc2)cc1	PC-id_50913479,SCHEMBL1228565	371.323	ZCQDJADLEOACNA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110359
CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccccc1OC(C(F)F)(F)F	PC-id_135107876	371.329	KSQOCGSGBDYGSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110360
O=C(c1ccccc1C(F)(F)F)Nc1sc2c(c1C(=O)O)C(OC2)C	PC-id_67300708,SCHEMBL2162337	371.331	MPVDDNXYWJXZHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110361
FC1CN(C1)CC1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19609569	371.333	VFVPLXIAMNNATM-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-110362
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)ccc1OC	EMOLS-id_324909578	371.334	STNTYEXMQKPUCD-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110363
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1OC	EMOLS-id_324908555	371.334	ANJCXCXDBWPVAI-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110364
n12c(=O)c(=Cc3ccc(c(OC)c3)OCC)sc1nc(C(F)(F)F)n2	MCULE-4825031856	371.334	ANJCXCXDBWPVAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110365
n12c(=O)c(=Cc3ccc(c(OCC)c3)OC)sc1nc(C(F)(F)F)n2	MCULE-4389634500	371.334	STNTYEXMQKPUCD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110366
S(=O)(=O)(OC1Cc2n(nc(c2C1)C#N)Cc1ccccc1)C(F)(F)F	PC-id_58713636	371.334	ZUHZDQATENAAJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110367
c12NC(=O)C(CC(=O)Nc3ccccc3C(F)(F)F)n1nc(SC)n2	STOCK6S-50814,EMOLS-id_17105967,PC-id_135635974,MCULE-1719776268	371.338	UDSKUNLEJQVQNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110368
CSc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2	PC-id_135897652,ZINC22_13721004	371.338	UDSKUNLEJQVQNP-SECBINFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110369
CSc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2	PC-id_135897653,ZINC22_13721006	371.338	UDSKUNLEJQVQNP-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-110370
CCOC(=O)c1ccccc1C(=O)c1ccc2n1CCC2(C(=O)O)C(=O)O	SCHEMBL11242804,PC-id_70545402	371.341	IPHZEKBCLJJQLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110371
O(C(=O)C1CCn2c1ccc2C(=O)c1c(cccc1)C(=O)OCC)C(=O)O	PC-id_20526419	371.341	QGPNBPUTORTRAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110372
CCCNC(c1sc(c(c1)Br)C)c1sc2c(n1)CCC2	PC-id_102842979	371.359	BFYWIBGIHQEJDR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-110373
CC(NC(c1sc(c(c1)Br)C)c1sc2c(n1)CCC2)C	PC-id_102843027	371.359	WRKYUSXACKDSMO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-110374
Cc1nc2scc(C)n2c1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324909575	371.361	JZHHVFHIJWIUJF-BAQGIRSFSA-N	00000000100000000001000110000000000000000000000000000000	25-01-110375
Fc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1F	EMOLS-id_324844274	371.361	RQYGYEOOHUFHAH-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110376
Fc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c(F)c1	EMOLS-id_324844786	371.361	JRTKTGJXWRZFOP-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110377
Fc1ccc(F)c(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324845303	371.361	MMGUSSLEXWMDEZ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110378
n12c(=O)c(=Cc3c(C)nc4scc(C)n34)sc1nc(C(F)(F)F)n2	MCULE-1137452764	371.361	JZHHVFHIJWIUJF-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-110379
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1ccccc1	MCULE-9332220222	371.361	JRTKTGJXWRZFOP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110380
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1ccccc1	MCULE-7896216998	371.361	RQYGYEOOHUFHAH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110381
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)COc1ccccc1	MCULE-3206970029	371.361	MMGUSSLEXWMDEZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110382
Fc1c(Nc2n(c3c(CCC3=O)c2C(=O)NOCCO)C)ccc(c1)C#C	BindingDB_PC-id_25125510,PC-id_25125510,SCHEMBL4789544	371.362	YVFQFMIZTCIHDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110383
FC1(OCC2(C)Oc3n(C2)cc(n3)[N+](=O)[O-])C=CC(C=C1)c1ccccc1	SCHEMBL16319391,PC-id_117760275	371.362	SVEOYSNEZOKXHP-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-110384
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)COC1(F)CC=C(C=C1)c1ccccc1	SCHEMBL16319392,PC-id_117760276	371.362	ILHCHUDNWQVELT-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-110385
O=C(OCc1nnc(c2ccc([N+](=O)[O-])cc2)o1)c1cc2c(s1)CCC2	ZINC22_5308122,MCULE-3688853011,EMOLS-id_3433303,CoCoCo_2840738,PC-id_4796763	371.367	XUDSYSORNFUARN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110386
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1)C#N	PC-id_7768740	371.367	QYSDAAXWGQJTRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110387
s1c2CCCc2c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cccc1)C#N	PC-id_1667660	371.367	QSLRLKFDOTUJDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110388
COc1ccc(C2=NN(/C=c/3sc4ncnn4c3=O)[C@@H](C(=O)O)C2)cc1	ZINC22_256027987	371.371	MZGUIDMRPBWWAF-BFTHVDOESA-N	00000011100000110001100010000000000000000000000000000000	25-01-110389
COc1ccc(C2=NN(/C=c/3sc4ncnn4c3=O)[C@H](C(=O)O)C2)cc1	ZINC22_256027988	371.371	MZGUIDMRPBWWAF-BPLGCGBFSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110390
COc1ccc(cc1)C1=NN(/C=c/2sc3ncnn3c2=O)C(C1)C(=O)O	PC-id_117588156,EMOLS-id_190367020	371.371	MZGUIDMRPBWWAF-QPEQYQDCSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110391
n12ncnc1sc(=CN1C(C(=O)O)CC(=N1)c1ccc(cc1)OC)c2=O	MCULE-9837492783	371.371	MZGUIDMRPBWWAF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110392
C(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCc2c1C#N)C(F)(F)F	EMOLS-id_327922871,MCULE-8332010896	371.377	NYJJANAQMZUJQQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-110393
NC(OC(=O)C(F)(F)F)CN1Cc2c(N1Cc1ccccc1)ccs2	SCHEMBL7152321,PC-id_70005452	371.377	KHVVWSKHWJFPDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110394
c1(CN(Cc2ccco2)C(=O)c2ccc(F)c(F)c2)c2CCCc2n(C)n1	PC-id_86266517,EMOLS-id_50145208,MCULE-6848820549	371.381	ALCZQPVRYGWHFY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-110395
Fc1cccc(c1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)F	PC-id_92109365	371.381	ZDUWFRYJVTWOOP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-110396
Fc1ccc(c(c1)F)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109432	371.381	OPTJDXOIEVTHJB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-110397
Fc1cccc(c1)C(=O)N1Cc2nc(oc2C1)C(=O)NCc1cccs1	ZINC22_96266042,EMOLS-id_44379916,PC-id_97525804	371.385	CTGHAXLUSHKEEJ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-110398
C1Cc2c(C1)[nH]nc2C(=O)NC1CCOCC1Oc1ccc(cc1)C(=O)O	PC-id_91779502	371.387	CUVHHMCSUNHAQF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110399
c1(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(cc2)C(=O)O)c2CCCc2[nH]n1	ZINC22_220540255,EMOLS-id_55658384,MCULE-5305033848	371.387	CUVHHMCSUNHAQF-HZPDHXFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110400
O=C(O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cc1	ZINC22_1565514641	371.387	CUVHHMCSUNHAQF-HOTGVXAUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110401
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)c1ccccc1C=O	SCHEMBL5539800,PC-id_87851939	371.39	FULXLGDYJXOHMK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110402
O1C(CCN2CCN(C(=O)C2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5544876,PC-id_69481876	371.39	ASCRBFZFMNVERN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110403
O1C(CN2CCN(CC2)C(=O)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5539794,PC-id_23081094	371.39	UBCHRJJVSXFXIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110404
O=C(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)OCC)C1)N(C)C	PC-id_71477565	371.39	ZWRADEZDUGIJPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110405
O=C(N1Cc2c([nH]nc2NC(=O)C#Cc2ccccc2)C1)Nc1ccccc1	SCHEMBL2924257,PC-id_68442756	371.392	GNLSQJXKVHKYMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110406
C1Cc2nnc(n2C1C(=O)N1CCOCC1)CNC(=O)Nc1cnccc1	PC-id_134791385	371.394	PHIOFHNQTNAEKJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110407
n12N=C(C(C)(C)C)C(=N[N-]c3[n-]nc(c3[N+]#[C-])c3ccccc3)c1nc(n2)C	PC-id_59247748	371.399	JPWYLZDIIGEVEI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110408
n12N=C(C(C)(C)C)C(=N[N-]c3[n-]nc(c3[N+]#[C-])c3ccccc3)c1nnc2C	PC-id_59247749	371.399	DOWWBJAJFMLDFL-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110409
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436591	371.409	RFAOTOBEGUACSN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110410
Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	MCULE-3294609052,EMOLS-id_101581104	371.409	IQPMYQNGJVHOEU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110411
c1(NC(=O)c2cc(on2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_2496479,PC-id_2970576,ZINC22_4749893,MCULE-7753865192,CoCoCo_540932,TIMTEC528650	371.41	WNKSMTORVTVANC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-110412
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NC	PC-id_7475010,MCULE-5157436226	371.41	JBZVDNNSLMNHAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110413
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NC	PC-id_78487955,MCULE-2034636015	371.41	UIPKWGSBHWBMAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110414
CNC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	EMOLS-id_334329054	371.41	JBZVDNNSLMNHAH-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110415
CNC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2CCCc12	PC-id_7474994,EMOLS-id_334331094	371.41	UIPKWGSBHWBMAZ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110416
N#CCC(N1C(=O)c2c(C1=O)c(sc2)N)c1ccc(c(c1)OCC)OC	SCHEMBL2990807,PC-id_68468618	371.41	TUZOUAGRODPULE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110417
N#CCC(N1C(=O)c2c(C1=O)c(sc2)N)c1ccc(c(c1)OC)OCC	PC-id_68472147,SCHEMBL2999933	371.41	FTMIWMOKVOEYLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110418
s1c2CCCc2c(c1NC(=O)COc1c(cc(cc1[N+](=O)[O-])C)C)C#N	PC-id_4511567	371.41	ASGMGANKWBUUMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110419
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C#N)C(=O)N	PC-id_45724399	371.41	YHOOMXPERFYOEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110420
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OCC)nccc1)C#N	PC-id_16524337	371.41	KBCVOXYUOMRTTA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110421
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ncccc1)C(=O)N	PC-id_55739751	371.41	OYZKFWQDDVCFTJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110422
c1(NC(=O)COc2cccnc2NC(=O)NC)sc2c(CCC2)c1C#N	MCULE-4971217375,EMOLS-id_321873274	371.414	JNKOGIHIBSVLBE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110423
CN(CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2)c1ncccn1	PC-id_30885990,MCULE-4404785470,CoCoCo_4816069,ZINC22_23173557,EMOLS-id_25670209	371.414	WTVTXFJSMDTVME-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110424
O=C(NS(=O)(=O)c1cnc2n1CCC2)c1cnn(Cc2ccccc2)c1	EMOLS-id_50570961,PC-id_99793824,MCULE-1658865046,ZINC22_170609394	371.414	VQSQEJRBDKUEJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110425
s1c2c(CCC2)c(c1NC(=O)Cn1nc(c(c(c1=O)C#N)C)C)C(=O)N	PC-id_38978979	371.414	GSCMAISSLVXMCN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110426
n12CCCc1nnc2CNC(=O)CCSc1nnc(c2ccncc2)o1	ZINC22_222536780,MCULE-9254434252,PC-id_91784430,EMOLS-id_55672637	371.417	MCLKTSLCDAEDOM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-110427
O=C(N1CC(C1)n1nnc(c1)Cn1nccn1)Cn1ncc2c1CSC2	PC-id_92119267	371.42	FSZHVQWXQJRIJS-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-110428
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)C(F)(F)F)C#N	PC-id_24589036	371.42	LETFFGGCOVXBPF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-110429
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)[O-])cc1)CC	PC-id_85015586	371.43	BQEKTMBHBNOQBE-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-110430
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)[O-])cc1)/CC	PC-id_9462669	371.43	BQEKTMBHBNOQBE-HKWRFOASSA-M	00000010100000110000000010000000000000000000000000000000	25-01-110431
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1ccccc1	PC-id_27520290	371.43	BLYAZHMUQJGRJU-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-110432
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27520299	371.43	SGKOXYYSOMEUTR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-110433
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_40635762	371.43	FMVJPUKOASWOLS-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-110434
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)NCc1ccccc1	PC-id_40635822	371.43	PBKRZJRKBWQVNP-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-110435
c12CN(Cc1cnn2Cc1ccc(cc1)F)CCC(=O)Nc1sccn1	MCULE-4619454178,PC-id_91834827,EMOLS-id_55647116,ZINC22_252487739	371.432	IAYQYADPZDKGRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110436
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)CCc1csc(N)n1	ZINC22_97570726,MCULE-7103683223,PC-id_74239456,EMOLS-id_49657994	371.432	CKIOHICCDAEAPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110437
C[C@]1(C=CSC(=N1)N)c1c(ccc(c1)CC(=O)c1nn2CCNc2c1)F	PC-id_136193093	371.432	CERXFEYPQCMTRW-SFHVURJKSA-N	00000010100011110001100010000000000000000000000000000000	25-01-110438
COc1ccc(C#N)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328222321,MCULE-4559042210	371.432	DCHLWSHUBJSMLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110439
S(C1=C(NC(C1C)C(C(O)C)C(=O)O)C(O)O)C1C[n+]2n(C1)cnc2	PC-id_78382600	371.432	IUPCMXIBGDSALV-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-110440
S(C1=C(N[C@H]([C@H]1C)[C@@H]([C@H](O)C)C(=O)O)C(O)O)[C@@H]1C[n+]2n(C1)cnc2	PC-id_5287811	371.432	IUPCMXIBGDSALV-YJFSRANCSA-O	00000011100000000001000010000000000000000000000000000000	25-01-110441
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)NCCc3ccccc3)Cc12	MCULE-4236607441,EMOLS-id_316324660	371.433	PQRWBEFVWZQIGA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110442
Cc1ccc(CN2CCNC(=O)C2CC(=O)NCc2n[nH]c3CCCc23)o1	EMOLS-id_20557139,MCULE-2216217613,Chemmine_31773,PC-id_45206526	371.433	MBCOTEVPVDVBRC-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110443
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c3c2CCC3)o1	CoCoCo_1354215,CoCoCo_1354221,CoCoCo_1354217,PC-id_29257949,CoCoCo_1354219,ZINC22_20998565	371.433	MBCOTEVPVDVBRC-QGZVFWFLSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110444
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2n[nH]c3c2CCC3)o1	PC-id_29257947,ZINC22_20998563,CoCoCo_1354214,CoCoCo_1354220,CoCoCo_1354218,CoCoCo_1354216	371.433	MBCOTEVPVDVBRC-KRWDZBQOSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110445
CCc1ccc(cn1)C(=O)NCC1CCc2ncc(C(=O)NCCOC)n12	EMOLS-id_313763264	371.433	GKJDIFJFQAVSNK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110446
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1nnc2n1CCC2	CoCoCo_4560484,PC-id_51929791,ZINC22_40037543	371.433	FYEJPHHOLJTLMF-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110447
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1nnc2n1CCC2	PC-id_51929790,CoCoCo_4560483,ZINC22_40037540	371.433	FYEJPHHOLJTLMF-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110448
CCCCNC(=O)N1Cc2c(C1C)[nH]nc2NC(=O)OCc1ccccc1	PC-id_142739757	371.433	HWEJLFBYUQWTBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110449
CN1CCC(C(=O)N2Cc3c(NC(=O)c4ccco4)n[nH]c3C2(C)C)CC1	PC-id_54582956,CHEMBL1744454,BindingDB_PC-id_54582956	371.433	JKLNMYJBWWAZSO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110450
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	CoCoCo_4525767,PC-id_17505587,MCULE-1316504600,EMOLS-id_16693819,ZINC22_11121633	371.433	FJSHFGVBJJYLSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110451
COc1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)ccc1O	EMOLS-id_324829435	371.433	ZZUMVNSLDGETGJ-ZSOIEALJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110452
COc1ccccc1OCc1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324871172	371.433	PAWOWPJTYIOLMT-ZSOIEALJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110453
COc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1cc2n(n1)CCO2	MCULE-7328762633,EMOLS-id_316892195,ZINC22_952963511	371.433	TVTVXCWCNRYUJJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110454
COc1cccc(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)c1	EMOLS-id_324877318	371.433	VNILIQUAZUTPMJ-AUWJEWJLSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110455
n12nc(nc1sc(=Cc1ccc(c(OC)c1)O)c2=O)Cc1cccs1	MCULE-1557523847	371.433	ZZUMVNSLDGETGJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110456
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1ccccc1OC	MCULE-5632190304	371.433	PAWOWPJTYIOLMT-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110457
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1cccc(OC)c1	MCULE-8306270810	371.433	VNILIQUAZUTPMJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110458
Nc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_140963658	371.433	KGPHMCHFMICIKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110459
OCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C	PC-id_145072809	371.433	ZJYWDUMYJBIMRZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110460
O=C[C@@H](NC(=O)c1nn2c(n1)CCC2CC)COc1ccccc1N(C)C	SCHEMBL19659317	371.433	LFBUUAGXKMAKJZ-KWCCSABGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110461
O=C(N1C(CCC1)c1c(OC)ccc(OC)c1)NCc1n2CCCc2nn1	PC-id_75807307	371.433	PUUFTZYSOGGWJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110462
O=C(N1C(CCC1)c1c(OC)cc(OC)cc1)NCc1n2CCCc2nn1	PC-id_75807306	371.433	DCFRASXEXJSGCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110463
O=C(N1[C@@H](CCC1)c1c(OC)ccc(OC)c1)NCc1n2CCCc2nn1	PC-id_52216086	371.433	PUUFTZYSOGGWJQ-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110464
O=C(N1[C@H](CCC1)c1c(OC)ccc(OC)c1)NCc1n2CCCc2nn1	PC-id_52216087	371.433	PUUFTZYSOGGWJQ-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110465
O=C(N1[C@@H](CCC1)c1c(OC)cc(OC)cc1)NCc1n2CCCc2nn1	PC-id_52216079	371.433	DCFRASXEXJSGCQ-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110466
O=C(N1[C@H](CCC1)c1c(OC)cc(OC)cc1)NCc1n2CCCc2nn1	PC-id_52216080	371.433	DCFRASXEXJSGCQ-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110467
O=C(NCc1n2CCCc2nn1)C(NC(=O)OCc1ccccc1)C(C)C	PC-id_45864936,EMOLS-id_29989964,MCULE-4622092218	371.433	FYEJPHHOLJTLMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110468
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)NCCc3ccccc3)C2)n1	MCULE-7535603700,EMOLS-id_316332351	371.434	HFDKILDVEBJDCZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110469
CCc1ccc(C(=O)NC[C@H]2CCc3ncc(C(=O)NCCOC)n23)cn1	ZINC22_1565550676	371.434	GKJDIFJFQAVSNK-OAHLLOKOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110470
CCc1ccc(C(=O)NC[C@@H]2CCc3ncc(C(=O)NCCOC)n23)cn1	ZINC22_1614928557	371.434	GKJDIFJFQAVSNK-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110471
COCCNC(=O)c1nn2c(c1)CC(C2)NC(=O)NCCc1ccccc1	MCULE-8030081148	371.434	HFDKILDVEBJDCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110472
O=C(NC(c1nnc2n1CCC2)C)NC(Cc1ccccc1)CCC(=O)O	PC-id_122001346	371.434	WIGUMHYLTLOKJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110473
O=C(NCc1nnc2n1CCC2)N1CC(OCCCOc2ccccc2)C1	PC-id_71853455,ZINC22_79101298,EMOLS-id_43672372,MCULE-1614988350	371.434	SLEKWRXHEMEDNA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-110474
CO[C@H]1C[C@H](C(=O)Nc2nc3n(c2C#N)CCS3)N(S(=O)(=O)C)C1	MCULE-5587503922,ZINC22_333212695,EMOLS-id_101192815	371.435	QBDVEVHANSTLOL-DTWKUNHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110475
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(S(=O)(=O)N)cc1	PC-id_16621892	371.435	ZFNMHNDAABKPCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110476
CC(C)(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccccn1	PC-id_134796343	371.437	TZRHVWGPURZHHN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110477
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(=O)c1ccco1	PC-id_111167739	371.437	RAIJTRTWCDOQEQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110478
O=C(c1csc(n1)c1ncccn1)NNC(=O)c1sc2c(c1)CCC2	PC-id_53511934,MCULE-5361017666,EMOLS-id_35722110	371.437	YPZLDHMOVPDGBS-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-110479
CCNC(=NCc1nnc2n1CCC2)N1CCN(C(=O)C1)c1cnn(c1)C	PC-id_109433597	371.44	MHFREMOUAMVFAF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110480
c1(CN(C2CCCC2)C(=O)COc2ccccc2F)c2CCCc2n(C)n1	PC-id_86266575,EMOLS-id_50145318,MCULE-5792673261	371.448	YYDPIJYHRWXPHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110481
c1(C(=O)N2CC[C@H]([C@H](Cc3ccccc3F)C2)OC)c2CCCc2n(C)n1	EMOLS-id_316266887,ZINC22_1615145833,MCULE-2519542303,LAS-52260249	371.448	LRIDLWGOVQZWDL-DNVCBOLYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110482
COc1ccc(cc1F)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109947	371.448	BOEQQKKJLVABBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110483
Fc1ccc(cc1)OCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109807	371.448	GMKVYYGLMLSMHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110484
c1(NC(=O)C=Cc2ccccc2OCC)sc2c(CCC2)c1C(=O)OC	MCULE-5505211615,PC-id_73569422	371.45	ISSLTYXXCWRQFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110485
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OC	PC-id_1186011,MCULE-8581957103	371.45	RNFMHSFMNYVPQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110486
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-2024110587,PC-id_1083546	371.45	DIGBJTPKSMGMFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110487
c1(NC(=O)C=Cc2ccccc2OC)sc2c(CCC2)c1C(=O)OCC	PC-id_1182156,MCULE-2768244571	371.45	XTOUFFMTCGZMQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110488
c1(NC(=O)COc2ccccc2CC=C)sc2c(CCC2)c1C(=O)OC	MCULE-1923203655,PC-id_19237228	371.45	JROVEIUFEDTWAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110489
CCOc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_819185	371.45	RNFMHSFMNYVPQS-XFXZXTDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110490
CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1	ChEMBL-DNDi_CHEMBL3992-0840,ChemDIV3992-0840,ZINC22_947440,PC-id_5450749,CoCoCo_819184,EMOLS-id_25926963,CHEMBL1513548	371.45	RNFMHSFMNYVPQS-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110491
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)OC)sc2c1CCC2	CoCoCo_117605	371.45	DIGBJTPKSMGMFP-XFXZXTDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110492
CCOC(=O)c1c(NC(=O)/C=Cc2ccccc2OC)sc2c1CCC2	CoCoCo_6037021	371.45	XTOUFFMTCGZMQL-QXMHVHEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110493
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CCC2	EMOLS-id_26557545,ZINC22_941459,PC-id_5449799,CoCoCo_6037020	371.45	XTOUFFMTCGZMQL-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110494
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)OC)sc2c1CCC2	ZINC22_799688,EMOLS-id_25801493,CoCoCo_117604,PC-id_1083547,STOCK2S-69785,ChemDIV1889-2894,ChEMBL-DNDi_CHEMBL1889-2894	371.45	DIGBJTPKSMGMFP-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110495
CCOC(=O)c1c(NC(=O)CCC(=O)c2ccccc2)sc2CCCc12	MCULE-8994359690,EMOLS-id_327914692	371.45	DKPCEHNUUSXZAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110496
COCCOCCC1C(O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_21735830,SCHEMBL9654196	371.45	CJQCENDQVCRPAN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110497
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CC1)S(=O)C	SCHEMBL10811735,PC-id_20235112	371.45	TXAUWGNLGDKIMZ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-110498
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)CCC)cc1	PC-id_7432145	371.45	FBGKAVCSHPLEAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110499
s1c2CCCc2cc1C(=O)OC(C(=O)N1CCOCC1)c1ccccc1	PC-id_18199062	371.45	ALGMYHAKNORWFT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110500
s1c2CCCc2cc1C(=O)OCC(=O)NC(Cc1ccccc1)C(=O)C	PC-id_45637973	371.45	GQUVROMAPQUBFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110501
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](Cc1ccccc1)C(=O)C	PC-id_7623898	371.45	GQUVROMAPQUBFM-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110502
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](Cc1ccccc1)C(=O)C	PC-id_7623901	371.45	GQUVROMAPQUBFM-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110503
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1	PC-id_8095837	371.45	ALGMYHAKNORWFT-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110504
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1	PC-id_8095838	371.45	ALGMYHAKNORWFT-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110505
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OCC)cccc1)C(=O)OC	PC-id_19207581	371.45	ISSLTYXXCWRQFH-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110506
C1Cc2sc(NC(=S)NC(=O)/C=C/c3ccc(F)cc3)c(C#N)c2C1	CoCoCo_6887387,SPECS-id_AG-205/33145020,ZINC22_711414,MCULE-2934992361,PC-id_1040021,EMOLS-id_45929861	371.452	PSTRRIHEBZOKPK-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110507
c1(NC(=S)NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-1462489167,PC-id_1040020	371.452	PSTRRIHEBZOKPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110508
CC(COC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)N)C)C	PC-id_138705466,SCHEMBL21081634	371.452	UDGINBFDILPXHR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110509
CC(COC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)N)C)C	SCHEMBL18616025	371.452	UDGINBFDILPXHR-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110510
Cn1nc(CN2CCCCC2)c2c1CN(C(=O)NCc1cccc(F)c1)C2	EMOLS-id_46182047,PC-id_97405345,ZINC22_96084519	371.452	GQANJJQMCNLNNQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110511
N#Cc1c(NC(=S)NC(=O)/C=Cc2ccc(cc2)F)sc2c1CCC2	CoCoCo_6887388,PC-id_92903820	371.452	PSTRRIHEBZOKPK-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110512
c12c(CCC1C(=O)N1CCCC1)sc(NC(=O)c1ccc(cc1)OC)n2	EMOLS-id_12347689,PC-id_16947814,MCULE-6682443775	371.453	BVYTXBNHOYDNFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110513
C1(CC(=O)N(C)C1c1ccccc1OC)C(=O)Nc1sc2c(CCC2)n1	MCULE-1863366499,EMOLS-id_323414971	371.453	RESCYIXPRQQMQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110514
C1(CC(=O)N(C)C1c1ccc(cc1)OC)C(=O)Nc1sc2c(CCC2)n1	MCULE-3897649989,EMOLS-id_323366060	371.453	LXPKACAHMOLARY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110515
C1(CC(=O)N(C)C1c1cccc(OC)c1)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323404222,MCULE-8883498235	371.453	FCWQGYSUMTVFMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110516
c1(NC(=O)c2ccccn2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2293470026,EMOLS-id_334338466	371.453	WNSOQAXCOLJELJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110517
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333347,MCULE-1060939820	371.453	VKNXCKGSTFGNBB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110518
c1(NC(=O)c2ccncc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334338208,MCULE-6287655516	371.453	BPWWVCSAUYEQQV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110519
c1(NC(=O)COc2cn(c(cc2=O)C)CCC)sc2CCCc2c1C#N	MCULE-3143052357,EMOLS-id_331628738	371.453	LCYDUHWKPNYCSU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110520
c1(NC(=O)NCCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	STOCK6S-13920,PC-id_17584659,ZINC22_6758337,MCULE-2251768437,EMOLS-id_4745438	371.453	JDGABAWTQXJANJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110521
C[C@@H](NC(=O)N1CCC2(C1)Oc1ccccc1O2)c1nc2c(s1)CCC2	ZINC22_562674655	371.453	KAEGOONCWGTGRL-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110522
C[C@H](NC(=O)N1CCC2(C1)Oc1ccccc1O2)c1nc2c(s1)CCC2	ZINC22_562674658	371.453	KAEGOONCWGTGRL-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110523
CCn1c(C)cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c1C	PC-id_8912043,MCULE-3793390186,ZINC22_7794216,EMOLS-id_31337675	371.453	KTORUYLRLNBSBB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-110524
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccccc1)Cc1ccco1	PC-id_92109600	371.453	RJLMBRPZVBXGBA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-110525
CNC(=O)c1ccc(NC(=O)CNC(=O)c2cc3c(s2)CCC3)c(C)c1	ZINC22_1875255998,PC-id_146087128,EMOLS-id_324026371,MCULE-8591182304	371.453	AHCRLLQANZFYKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110526
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCCC2)cc1	CoCoCo_5124857,ZINC22_9301107,PC-id_41007034	371.453	BVYTXBNHOYDNFR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110527
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCCC2)cc1	PC-id_41007037,ZINC22_9301110,CoCoCo_5124856	371.453	BVYTXBNHOYDNFR-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110528
NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCC2	MCULE-9025685109,ZINC22_151810830,EMOLS-id_189722739	371.453	CSWINNRQDNCMTR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110529
O=C1CO[C@H](C(=O)NCCc2nc3c(s2)CCC3)[C@@H](c2ccccc2)N1	EMOLS-id_316205054,MCULE-7109831874,ZINC22_1529178556,PC-id_134710555	371.453	NLLMXHDAOSGLSB-MSOLQXFVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110530
O=C(N1CCC2(C1)Oc1c(O2)cccc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009120	371.453	LNQWISNRWVYXOQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110531
s1c2CCCc2cc1C(=O)NNC(=O)CC(NC(=O)c1ccccc1)C	PC-id_51195408	371.453	QVGADFKQWXETSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110532
s1c2CCCc2cc1C(=O)NNC(=O)CCNC(=O)Cc1ccccc1	PC-id_51314320	371.453	YXMGPJVDTRTHHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110533
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCC1OCCC1	PC-id_16947051	371.453	GXKBXBODDSJRJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110534
s1c2CCCc2nc1NC(=O)C1NCC(OCc2ccccc2)C(=O)C1	PC-id_75982591	371.453	RVXAGEBRNTYKOP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110535
s1c2CCCc2nc1NC(=O)[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)C	PC-id_33041094	371.453	GVBRXXICWSSHMU-OBIHZWKSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110536
s1c2CCCc2nc1NC(=O)[C@H](NC(=O)/C=C/c1ccc(OC)cc1)C	PC-id_33041095	371.453	GVBRXXICWSSHMU-JATZPVMKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110537
s1c2CCCc2nc1NC(=O)C(NC(=O)/C=C/c1ccc(OC)cc1)C	PC-id_51233098	371.453	GVBRXXICWSSHMU-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110538
s1c2CCCc2nc1NC(=O)C(NC(=O)C=Cc1ccc(OC)cc1)C	PC-id_74630113	371.453	GVBRXXICWSSHMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110539
CC(C)S(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1	PC-id_91959812	371.455	LVDFGUICJOQPEL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110540
CCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1	PC-id_91959813	371.455	KYJNERMFXLZUQK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110541
CCCS(=O)(=O)N1CCOCC1CC(=O)NCc1nnc2CCCn12	EMOLS-id_43116205,MCULE-3233883012,PC-id_56896464	371.455	YSCKIXHDMAIDHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110542
CCCS(=O)(=O)N1CCOC[C@@H]1CC(=O)NCc1nnc2n1CCC2	PC-id_95870971,ZINC22_72427256	371.455	YSCKIXHDMAIDHE-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110543
CCCS(=O)(=O)N1CCOC[C@H]1CC(=O)NCc1nnc2n1CCC2	ZINC22_72427257,PC-id_95870972	371.455	YSCKIXHDMAIDHE-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110544
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ccccc1F	PC-id_111148799	371.455	MCMZOGJTHIHQDQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110545
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ccc(cc1)F	PC-id_111165513	371.455	OHYFVQNHSRTSDN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110546
CCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1C	PC-id_91959918	371.455	WAAWNKWOPORDHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110547
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(c2cccnc2)cc1	MCULE-2432337486	371.455	BDFVFRJRCLUEKU-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-110548
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)C=Cc1ccc(cc1)C	MCULE-6340085849	371.455	RHYDHGGQJXGYKS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110549
O=C(Nc1sc2CCCc2c1C#N)/C=C/c1ccc(cc1)c1cccnc1	EMOLS-id_328203866	371.455	BDFVFRJRCLUEKU-DHZHZOJOSA-N	00000010100000111000100010000000000000000000000000000000	25-01-110550
c12SCCn1cc(CNC(=O)Nc1c(C)ccc(c1)N1CCCC1=O)n2	PC-id_118763075,MCULE-1547281788,EMOLS-id_68874554,ZINC22_299764212	371.457	YHULQFAAUBICRD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110551
Cc1ccc(cc1)CS(=O)(=O)N1Cc2c(C1)c(nn2C)Cn1ccnc1	PC-id_97413567	371.457	XSHQTDPGESQNIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110552
Cc1ccc(c(c1)n1ncc(c1C)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100970767	371.457	HGOMRJMAJJZZCK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110553
N#Cc1ccccc1N1CCCN(S(=O)(=O)c2cnc3n2CCC3)CC1	ZINC22_329997228,EMOLS-id_100180280,MCULE-3019826013	371.457	QDJGSLXKVWVGQI-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-110554
N#Cc1ccccc1NC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_279159883	371.457	STSGWWNPMRHAFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110555
c12SCCn1cc(CNC(=O)c1cc([nH]n1)Cn1ccnc1C(C)C)n2	MCULE-4340364564,PC-id_42514196,ZINC22_12302320,EMOLS-id_20629827	371.46	CKWVFAOXCYXPSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110556
c1(c(C)n(nc1C)C)c1nn(c(C(=O)NCc2cn3c(SCC3)n2)c1)C	PC-id_77085840,EMOLS-id_49879150,MCULE-9551111347,ZINC22_215539477	371.46	LUXWKWSFDGXUON-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-110557
CC1C=CC=CC1(c1ccccc1F)S(=O)(=O)c1n(C)cc2c1CCC2	PC-id_141433734	371.468	LQLHKLOMSXGLLL-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-110558
O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1	CHEMBL159969,BindingDB_PC-id_10022123,PC-id_10022123	371.468	YJKQCYMQSRDUEQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-110559
Cc1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)ccc1F	EMOLS-id_324903946	371.472	LRRCSBWBKLJVCZ-ATVHPVEESA-N	00000000100010110001000010000000000000000000000000000000	25-01-110560
CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1sc2c(c1)CCC2	MCULE-3090072865,EMOLS-id_43696748,PC-id_16505626	371.472	PTKXHTQWVKGFKP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110561
CCN(C(=O)COC(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	CoCoCo_2840861,PC-id_7291914,ZINC22_4581505	371.472	PTKXHTQWVKGFKP-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110562
CCN(C(=O)COC(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	CoCoCo_2840862,ZINC22_4581503,PC-id_7291912	371.472	PTKXHTQWVKGFKP-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110563
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)CCC1CCCCC1	MCULE-7751998174	371.472	LRRCSBWBKLJVCZ-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-110564
s1c2CCCc2c(c1NC(=O)CCN(C(c1ccc(F)cc1)C)C)C#N	PC-id_51303302	371.472	VHQARPCIAICYDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110565
s1c2CCCc2c(c1NC(=O)CCN(C(C)C)c1ccc(F)cc1)C#N	PC-id_56526415	371.472	RPMLEKNRTWPVFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110566
s1c2CCCc2c(c1NC(=O)CNC(C(C)C)c1ccc(F)cc1)C#N	PC-id_84935018	371.472	OOMAREGGQRHPAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110567
s1c2CCCc2c(c1NC(=O)CN[C@@H](C(C)C)c1ccc(F)cc1)C#N	PC-id_9133608	371.472	OOMAREGGQRHPAA-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-110568
s1c2CCCc2c(c1NC(=O)CN[C@H](C(C)C)c1ccc(F)cc1)C#N	PC-id_9133614	371.472	OOMAREGGQRHPAA-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110569
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCOC)CCOC)C(=O)OC	PC-id_33483713	371.472	WBUWYYIVDADZHJ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-110570
s1c2c(CCC2)c(c1NC(=O)CSCC(=O)OCC)C(=O)OCC	PC-id_4816446	371.472	HVCIUIQEJYSDQZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110571
S1(=O)(=O)C[C@H](N(C(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)C)CC1	PC-id_8359463	371.472	GJQMIYRTOWVDPQ-CMPLNLGQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110572
S1(=O)(=O)C[C@H](N(C(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)C)CC1	PC-id_8359470	371.472	GJQMIYRTOWVDPQ-ZYHUDNBSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110573
S1(=O)(=O)C[C@@H](N(C(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)C)CC1	PC-id_8359475	371.472	GJQMIYRTOWVDPQ-JQWIXIFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110574
S1(=O)(=O)C[C@@H](N(C(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)C)CC1	PC-id_8359482	371.472	GJQMIYRTOWVDPQ-PWSUYJOCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110575
S1(=O)(=O)CC(N(C(=O)C(OC(=O)c2sc3CCCc3c2)C)C)CC1	PC-id_78674899	371.472	GJQMIYRTOWVDPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110576
CCCCc1c(nc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C)C(=O)N	PC-id_140261642	371.473	UJJIOVUDPRMRTH-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110577
COc1ccccc1c1nc(COC(=O)c2cc3c(s2)CCC3)cs1	PC-id_16505652,EMOLS-id_43696784,ZINC22_9070498,MCULE-5930389462	371.473	UQURFXVAFIJNSA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110578
s1c2CCCc2cc1C(=O)OCc1nc(sc1)c1ccc(OC)cc1	PC-id_7238995	371.473	HFDZGVRXFRHTJK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110579
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)c1ccccc1	PC-id_6985746	371.473	RASIPQGTQKQNHH-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-110580
c1(NC(=O)C2CCCN(C2)S(=O)(=O)C)sc2c(CCC2)c1C(=O)N	PC-id_44086233,MCULE-6339361465,EMOLS-id_24908113	371.475	KMFSPNNWERLINW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-110581
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C(=O)N)CCC3)C1	PC-id_25881372,CoCoCo_5264322,ZINC22_13790110	371.475	KMFSPNNWERLINW-SECBINFHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-110582
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2sc3c(c2C(=O)N)CCC3)C1	PC-id_25881373,ZINC22_13790112,CoCoCo_5264321	371.475	KMFSPNNWERLINW-VIFPVBQESA-N	00000010100010000000000010000000000000000000000000000000	25-01-110583
S1C2N(C(=O)C2C(O)C)C(=C1SC1C[n+]2c(C1)csc2)C(=O)O	PC-id_14124354	371.475	AJPLQNVCMUIRBG-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-110584
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1C[n+]2c(C1)csc2)C(=O)O	PC-id_57302075	371.475	AJPLQNVCMUIRBG-YTCJJDFUSA-O	00001011100000000001001010000000000000000000000000000000	25-01-110585
S1(=O)(=O)CCN(CC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_56482182	371.475	AQHZIXUOBJJUKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110586
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_44086832	371.475	YCHVMCCOCXHIJW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-110587
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_49697942	371.475	HOTWJDPCKKAURE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-110588
c1(c(C)nc(c2ccc(cc2)OC)s1)C(=O)/N=c
/sc2c(CCC2)[nH]1	PC-id_33040396,EMOLS-id_35786834,STOCK7S-14117,MCULE-1233248432,ZINC22_25768708,EMOLS-id_46559491	371.476	PKQRDOUAEMRJGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110589
c1(NC(=O)Cc2csc(c3cccc(OC)c3)n2)sc2c(CCC2)n1	EMOLS-id_320477007,MCULE-1337044419	371.476	GMTAKFMUJLTEHL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110590
c1(NC(=S)NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_3266160,MCULE-2261591896	371.476	UXYXZCMDMQBAFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110591
Cc1nc(COc2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)cs1	PC-id_33040394,MCULE-6448687342,ZINC22_25768706,EMOLS-id_24952691,CoCoCo_4164327	371.476	OUHPTUXLJWNCEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110592
COc1ccc(c2nc(CC(=O)Nc3nc4c(s3)CCC4)cs2)cc1	MCULE-7250049009,PC-id_9246916,ZINC22_8116749,CoCoCo_4109979,EMOLS-id_11774625	371.476	MRBYORMLTJGCTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110593
COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2	ZINC22_408621002	371.476	KXLIYLHJMKFVMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110594
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2)sc2c1CCC2	ChemDIV5646-1706,SPECS-id_AM-879/PD00839,ZINC22_3079093,PC-id_5777235,EMOLS-id_26973901,CoCoCo_1836743,TIMTEC491515	371.476	UXYXZCMDMQBAFL-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110595
O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCC2)/C=Cc1ccccc1	CoCoCo_1836744	371.476	UXYXZCMDMQBAFL-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110596
s1c2CCCc2c(c1NC(=O)CSc1ccc(NC(=O)C)cc1)C#N	PC-id_8171219	371.476	CISDCUMZNALUJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110597
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCC)cc1)C#N	PC-id_4955517	371.476	TWDPDXZPIDHQEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110598
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OCC)ccc1)C#N	PC-id_4957761	371.476	DDFCSZSUMAXZKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110599
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCC)cccc1)C#N	PC-id_4955519	371.476	DSJLTUWTUIAZJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110600
s1c2CCCc2c(c1NC(=S)NC(=O)Cc1ccc(OC)cc1)C#N	PC-id_4955483	371.476	AUBAQOKUILFUIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110601
s1c2CCCc2nc1NC(=O)c1cc(OCc2nc(sc2)C)ccc1	PC-id_27287712	371.476	LJYSQWJPZWZELE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110602
c1(C(=O)N(CC)CCN(CC)CC)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316323128,MCULE-7412797505	371.477	TVOYFWDJTMHCBP-SFHVURJKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110603
c1(C(=O)N(CC)CCN(CC)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316253177,MCULE-6964977874	371.477	FHODRHDHORCBIX-SFHVURJKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110604
c1(C(=O)N(CC)CCN(CC)CC)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-3760617131	371.477	TVOYFWDJTMHCBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110605
c1(C(=O)N(CC)CCN(CC)CC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-3173748576	371.477	FHODRHDHORCBIX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110606
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)C1(C#N)CCCC1)C2	ZINC22_1565554700,EMOLS-id_313737172	371.477	XMJXGJNLZUJEDQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110607
CCn1nc2c(c1N)CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C	PC-id_70907683,SCHEMBL13454854	371.477	WNNVDMYIGYLKAY-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110608
Nc1ccc(cc1)N1CCN(CC1)CCCCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_54289819,PC-id_54289819	371.477	RWRXAVPXRZEFSU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110609
OCCCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC	SCHEMBL19312185	371.477	OVNPVNSJOFNLCT-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110610
O=C(NC(c1n2CCCc2nn1)C(C)C)NC(CC)c1ccc(OC)cc1	PC-id_60273867	371.477	XKQANBWTOHWBLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110611
O(C(=O)N1C(c2nn(c(N)c2C1)CC)(C)C)C(CN(C)C)c1ccccc1	PC-id_77950958	371.477	WNNVDMYIGYLKAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110612
CC([C@H](c1nnc2n1CCC2)NC(=O)N1CCC(CC1)n1ncc(c1)C)C	PC-id_97316459	371.48	WBVADZHJLBSZFW-QGZVFWFLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110613
CC([C@@H](c1nnc2n1CCC2)NC(=O)N1CCC(CC1)n1ncc(c1)C)C	PC-id_97316460	371.48	WBVADZHJLBSZFW-KRWDZBQOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110614
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccco1)N1CCCC1	PC-id_111008861	371.48	TVWDSHGOUCYMRI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-110615
CNc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NCCN(C)C	PC-id_145207983	371.48	RRDAFIATUNMIGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110616
CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2c3c(nn2C)CCC3)ncn1	PC-id_146112187,ZINC22_1857527346,MCULE-4211359067,EMOLS-id_323995861	371.48	NZLHHOKVZDWIGA-ZIAGYGMSSA-N	00000010100000100001100010000000000000000000000000000000	25-01-110617
CN=C(NCc1nnc2n1CCC2)NCC(c1ccco1)N1CCCCC1	PC-id_111020365	371.48	NETWHYLFBZGWNU-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-110618
O=C(N1CCC(n2ncc(c2)C)CC1)NC(c1n2CCCc2nn1)C(C)C	PC-id_75463693	371.48	WBVADZHJLBSZFW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110619
s1c2CCCc2nc1NC(=O)Cn1c(n[nH]c1=S)c1cc(ccc1)C	PC-id_33040436	371.48	GERVJGDXQCQUTA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110620
s1c2CCCc2nc1NC(=O)Cn1c(n[nH]c1=S)c1ccc(cc1)C	PC-id_33040456	371.48	AJOKRXPKUVYXBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110621
N/C=C\n1c(ncc1c1cnn(c1)C)C(=C)Nc1snc2c1CCS2	PC-id_143803559	371.483	UXNNCKXGLMQKOW-PLNGDYQASA-N	00000010100000000001100010000000000000000000000000000000	25-01-110622
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	STOCK1S-81842,TIMTEC473690,PC-id_1103427,ZINC22_829051,BAS-00472892,CoCoCo_77208,EMOLS-id_638524,MCULE-8117034440,SPECS-id_AG-690/11152201	371.493	UEBMMNXDVVLIMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110623
c1(NC(=O)CCc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_19221467,MCULE-1329837707	371.493	MNVCRGANDGYPIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110624
Cc1ccc(C(=O)c2c(NC(=O)OC(C)(C)C)sc3CCCc23)c(C)c1	EMOLS-id_331230571	371.493	QZWCVUKCSCPZND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110625
CCCCc1cc2n(c1C(=O)c1sccc1C)CC=C2C(=O)OC(C)C	SCHEMBL11662859,PC-id_70629314	371.493	FSMRWNLQHWGKNI-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-110626
CCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	PC-id_20235102,SCHEMBL10813334	371.493	LDQOWKXNQKWNSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110627
CCOC(=O)c1c(NC(=O)c2cccc(c2)C(C)(C)C)sc2CCCc12	EMOLS-id_328175786,MCULE-1882442584	371.493	CQUSRXMKPGQJGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110628
CCOC(=O)c1c(NC(=O)CCc2ccc(CC)cc2)sc2CCCc12	MCULE-1093379556,EMOLS-id_327938419	371.493	BZVNPUVHDXCGOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110629
COc1ccccc1C1(CNC(=O)c2cc3c(s2)CCC3)CCOCC1	EMOLS-id_44547356,ZINC22_56459622,MCULE-6066242868,PC-id_71886662	371.493	BGEFZXDNCDPFSI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-110630
CSc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OCCC(C)C	PC-id_20235111,SCHEMBL10811632	371.493	PRRPETMSNJHILP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110631
O=C(N(CC1(O)CCOCC1)Cc1ccccc1)c1sc2c(c1)CCC2	PC-id_99707563	371.493	CTBMWBZKKATAJE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-110632
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(C(C)C)cccc1C)C	PC-id_45637947	371.493	JQJAKYCZFZAALQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110633
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(C(CC)C)cccc1)C	PC-id_45637949	371.493	KMEOUZVSHZFQDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110634
s1c2CCCc2cc1C(=O)OC(C(=O)NC(CCc1ccccc1)C)C	PC-id_78469339	371.493	PDLNUJVNWXFHDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110635
s1c2CCCc2cc1C(=O)OC(C(=O)NCC(CC)c1ccccc1)C	PC-id_78708985	371.493	FZEXFXVDGMEOCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110636
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(C(C)C)cccc1C)C	PC-id_7623753	371.493	JQJAKYCZFZAALQ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110637
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(C(C)C)cccc1C)C	PC-id_7623754	371.493	JQJAKYCZFZAALQ-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110638
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c([C@@H](CC)C)cccc1)C	PC-id_7623756	371.493	KMEOUZVSHZFQDL-ZIAGYGMSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110639
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c([C@H](CC)C)cccc1)C	PC-id_7623758	371.493	KMEOUZVSHZFQDL-UONOGXRCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110640
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c([C@@H](CC)C)cccc1)C	PC-id_7623759	371.493	KMEOUZVSHZFQDL-KGLIPLIRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110641
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c([C@H](CC)C)cccc1)C	PC-id_7623761	371.493	KMEOUZVSHZFQDL-KBPBESRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110642
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NC[C@H](CC)c1ccccc1)C	PC-id_8487651	371.493	FZEXFXVDGMEOCV-CABCVRRESA-N	00000010100000110000000010000000000000000000000000000000	25-01-110643
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NC[C@@H](CC)c1ccccc1)C	PC-id_8487656	371.493	FZEXFXVDGMEOCV-HUUCEWRRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110644
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NC[C@H](CC)c1ccccc1)C	PC-id_8487660	371.493	FZEXFXVDGMEOCV-GJZGRUSLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110645
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NC[C@@H](CC)c1ccccc1)C	PC-id_8487664	371.493	FZEXFXVDGMEOCV-LSDHHAIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110646
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@H](CCc1ccccc1)C)C	PC-id_7291922	371.493	PDLNUJVNWXFHDP-LSDHHAIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110647
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N[C@@H](CCc1ccccc1)C)C	PC-id_7291925	371.493	PDLNUJVNWXFHDP-HUUCEWRRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110648
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N[C@H](CCc1ccccc1)C)C	PC-id_7291927	371.493	PDLNUJVNWXFHDP-GJZGRUSLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110649
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N[C@@H](CCc1ccccc1)C)C	PC-id_7291930	371.493	PDLNUJVNWXFHDP-CABCVRRESA-N	00000010100000110000000010000000000000000000000000000000	25-01-110650
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1C)C)C)C(=O)OCC	PC-id_25906586	371.493	CTDOLDHNIOSTFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110651
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(C(C)C)cc1)C(=O)OCC	PC-id_41362424	371.493	KFTBUXJMIAAUHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110652
S(=O)(=O)(n1c2c(C(CC2=O)C(C)C)cc1CCC=C)c1ccc(cc1)C	PC-id_11760461	371.493	NMSGFXCWHHWTCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110653
S(=O)(=O)(n1c2c([C@@H](CC2=O)C(C)C)cc1CCC=C)c1ccc(cc1)C	PC-id_11268747	371.493	NMSGFXCWHHWTCS-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110654
c1(c2CCCc2sc1NC(=O)CN(CC)CC)C(=O)Nc1ccccc1	EMOLS-id_177549646,ZINC22_1159233,PC-id_1328201,MCULE-6744578490,ChEMBL-DNDi_CHEMBL7002777	371.496	RGQRUPOCPWZVQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110655
c1(c2CCCc2sc1NC(=O)CNC(C)C)C(=O)Nc1cccc(C)c1	MCULE-1386428757,EMOLS-id_2785862,CoCoCo_6724289,ZINC22_4554485,PC-id_3751390,TIMTEC269261	371.496	KPXLKVBKSYNFHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110656
Cc1ccc(OC2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)cc1	EMOLS-id_99325852,ZINC22_116883522,MCULE-6069503924	371.496	AIOWOBDVAVRXAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110657
O=C(Nc1sc2c(n1)CCC2)CN1CCC(CC1)COc1ccccc1	PC-id_86942871	371.496	RKKUCKXLRHLTAQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110658
O=C(Nc1sc2c(n1)CCC2)CN1CCCC(C1)COc1ccccc1	PC-id_86972289	371.496	PJVZBWIQAAFXIK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110659
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(CN(CC)CC)cc1	PC-id_43070391	371.496	DMWAYTGLPHOESC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110660
s1c2c(CCC2)c(c1NC(=O)c1ccc(N(CC)CC)cc1)C(=O)NC	PC-id_7475038	371.496	OCWGUNCFKLBKBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110661
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1c(cccc1)C)C)C)C(=O)N	PC-id_40745935	371.496	RSXKAXAXUJKWPF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110662
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1c(cccc1)C)C)C)C(=O)N	PC-id_40745937	371.496	RSXKAXAXUJKWPF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110663
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1ccc(cc1)C)C)C)C(=O)N	PC-id_40760947	371.496	YZXWWGYHHWFPCQ-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110664
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1ccc(cc1)C)C)C)C(=O)N	PC-id_40760949	371.496	YZXWWGYHHWFPCQ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110665
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1ccc(cc1)C)C)C)C(=O)N	PC-id_46630614	371.496	YZXWWGYHHWFPCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110666
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c(cccc1)C)C)C)C(=O)N	PC-id_51243134	371.496	RSXKAXAXUJKWPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110667
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(cc1)CC)C)C(=O)N	PC-id_8908251	371.496	WGKFBZAEBCXSNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110668
s1c2c(CCC2)c(c1NC(=O)CNC(C(C)C)c1ccccc1)C(=O)N	PC-id_84934456	371.496	HDXNUHWHCQDXPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110669
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](C(C)C)c1ccccc1)C(=O)N	PC-id_9131977	371.496	HDXNUHWHCQDXPV-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110670
s1c2c(CCC2)c(c1NC(=O)CN[C@H](C(C)C)c1ccccc1)C(=O)N	PC-id_9131979	371.496	HDXNUHWHCQDXPV-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110671
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(OCC)cc1	PC-id_44060362	371.496	OXZBPJNTJSWXPL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110672
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(OCC)cccc1	PC-id_44060361	371.496	SQHUFXIUXGPVHE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110673
s1c2CCCc2nc1CN1CCN(CC1)C(=O)Cc1ccc(OC)cc1	PC-id_44060402	371.496	VZCTXPXFUUUFTG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110674
s1c2CCCc2nc1CN1CCN(CC1)C(=O)C(Oc1ccccc1)C	PC-id_44060394	371.496	DDBGEVQNLPGOJC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110675
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1c(cccc1)C	PC-id_44060397	371.496	QFDDOJWAOQQWBM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110676
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1cc(ccc1)C	PC-id_44060398	371.496	ABHHTUNKLJJEMV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110677
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1ccc(cc1)C	PC-id_44060399	371.496	OPQGBTZNNVTSRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110678
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCCC(C)C	PC-id_16947523	371.496	LCWHRPVPBNZYEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110679
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCCCCC	PC-id_16947550	371.496	FVSQRXLLZULSEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110680
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N(CCC)CCC	PC-id_16947014	371.496	GAGANSBZBSRWTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110681
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N(C(C)C)C(C)C	PC-id_16947015	371.496	CCNUYGCDZGLJJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110682
c1(NC(=O)CN2CCN(CC2)c2cccc(C)c2)n(C)nc2CSCc12	PC-id_134711576,MCULE-5449132395,EMOLS-id_316231181,ZINC22_1529186993	371.5	NQKJVQQTRGKBEZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110683
Cc1ccc(cc1)C1CSCCN1C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318098553	371.5	JUNIMLJSGOXQAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110684
Cc1ccnc(c1)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005505	371.5	IXVZRSHUDYAWDD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-110685
CC1=C([S]=C(N1)c1ccc(C)cc1)C(=O)Nc1c2CSCc2nn1C	EMOLS-id_320517439	371.5	HRZYYZSGJVLJIT-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110686
Cn1cnc(c1)[C@@H]1CN(C[C@H]1C(=O)NC1CC1)Cc1sc2c(n1)CCC2	EMOLS-id_316980549	371.5	KJNBTYCXJRHJHM-ZIAGYGMSSA-N	00100010100000000001100010000000000000000000000000000000	25-01-110687
CSc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324831997	371.5	IKFKHZZVGOWCDL-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110688
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)Cc1cccs1	MCULE-4912873417	371.5	IKFKHZZVGOWCDL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110689
O=C(N1CCN(CC1)Cc1ccccn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007110	371.5	ZMQMJNGIMOLFID-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110690
O=C(N1CCN(CC1)Cc1cccnc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000009	371.5	PPSVSHMGJQCPGU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110691
O=C(N1CCN(CC1)Cc1ccncc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999964	371.5	FKSARHJRSAIIRS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110692
O=C(NC1CC(n2c1ncc2)C)Nc1ccccc1CN1CCSCC1	EMOLS-id_318105744	371.5	FVJAFAZWTKVJKE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110693
s1c2c(CCC2)cc1C(=O)NC[C@@H]([NH+]1CCCC1)c1ccc(OC)cc1	PC-id_41074708	371.516	VGRUFVIURIIUEC-GOSISDBHSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110694
s1c2c(CCC2)cc1C(=O)NC[C@H]([NH+]1CCCC1)c1ccc(OC)cc1	PC-id_41074713	371.516	VGRUFVIURIIUEC-SFHVURJKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110695
s1c2c(CCC2)cc1C(=O)NCC([NH+]1CCCC1)c1ccc(OC)cc1	PC-id_74742799	371.516	VGRUFVIURIIUEC-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110696
s1c2c(CCC2)cc1C(=O)NC(C[NH+]1CCOCC1)c1ccc(cc1)C	PC-id_84938143	371.516	CUKNPMKREDLKOL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-110697
s1c2c(CCC2)cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(cc1)C	PC-id_9144634	371.516	CUKNPMKREDLKOL-GOSISDBHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-110698
s1c2c(CCC2)cc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(cc1)C	PC-id_9144636	371.516	CUKNPMKREDLKOL-SFHVURJKSA-O	00000010100010110001000010000000000000000000000000000000	25-01-110699
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC)C(=O)c1c(cccc1)C	PC-id_6985985	371.516	NHSWNXUXMWNWFG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-110700
CC1(CCc2c1nc(s2)NC(=O)N1CCCC(C1)CS(=O)(=O)C)C	MCULE-8360233615,PC-id_136548409,EMOLS-id_316884113	371.518	HGNACZCIUNALTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110701
CC1(C)CCc2sc(NC(=O)N3CCC[C@@H](CS(=O)(=O)C)C3)nc12	ZINC22_515052679	371.518	HGNACZCIUNALTC-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110702
CC1(C)CCc2sc(NC(=O)N3CCC[C@H](CS(=O)(=O)C)C3)nc12	ZINC22_515052680	371.518	HGNACZCIUNALTC-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-110703
CC1(C)CCc2sc(NC(=O)N[C@@H]3CCCC[C@H]3S(=O)(=O)C)nc12	ZINC22_571513067,MCULE-5177718819,EMOLS-id_316883601,PC-id_136582889	371.518	XZQVRWZRANKWRV-ZYHUDNBSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110704
CCC1CN(CC(S1(=O)=O)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009069	371.518	PJFRQPZCVXJJHI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110705
CC(C(N1CCCS1(=O)=O)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102181752	371.518	XVUNXTLUWGDJTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110706
O=C(N1CCS(=O)(=O)C(CC1)(C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007359	371.518	KYMKLUUPLSUZCE-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-110707
c1(NC(=O)c2c(C)nc(C3CCCCC3)s2)sc2c(CCC2)c1C#N	MCULE-3136251199,EMOLS-id_322836665	371.52	JRCXKSXZTPINJH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110708
CSc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1	EMOLS-id_3220767,CoCoCo_3586346,MCULE-9127977066,PC-id_2112947,CoCoCo_3586347,ZINC22_2649796	371.52	XLHXYJFYLTZLPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110709
N#Cc1c(NC(=O)C(N2CCCC2c2ccsc2)C)sc2c1CCC2	EMOLS-id_98045506	371.52	FNYHGNAWPBSZPU-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-110710
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)c1ccsc1)C#N	PC-id_55849602	371.52	DECUSCBHIMFZLA-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-110711
s1c2c(CCC2)c(c1NC(=O)CCN(C1CC1)Cc1ccsc1)C#N	PC-id_56159102	371.52	NDOIBUFLPFUWKC-UHFFFAOYSA-N	00100010100100000000000010000000000000000000000000000000	25-01-110712
s1c2CCCc2c(c1NC(=O)CCN(Cc1sccc1)CC=C)C#N	PC-id_51303041	371.52	MNHDZSLNLHLPKI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110713
s1c(C2N(CCC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_24589235	371.52	QZWFNGULCPNNRN-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-110714
CCN(c1ccc(cc1)CNC(=O)c1sc2c(c1)CN(C2)C(C)C)CC	PC-id_53171070	371.539	JUZIVCLJFMRPFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110715
s1c2CN(Cc2cc1C(=O)NCCN(CC)c1cc(ccc1)C)C(C)C	PC-id_53171071	371.539	ZKJUTIRCODLZQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110716
s1c(NC(=O)CCN(C2CC2)C2CCC(CC2)C)c(c2CCCc12)C#N	PC-id_56525123	371.539	WDFFJNWXUPEDCN-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-110717
s1c2c(CCC2)c(c1NC(=O)CSC(=S)N(CC)CC)C(=O)N	PC-id_7841331	371.541	RPLWSBNVIYWXPW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110718
CC(C1CCC(CC1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109922	371.559	FELNUYNWNGISCN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110719
c1(Cl)cc(Cl)c(C(=O)Nc2sc3CCCc3c2C#N)c(c1)Cl	MCULE-6324569124,EMOLS-id_327890160	371.669	ZKARVAPGSKVSRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110720
c1(NC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c(CCC2)c1C#N	MCULE-2952486223,EMOLS-id_322629442	371.669	MSQHBEMAUSPSDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110721
CC1CCc2c1c(CCl)nn2Cc1c(F)ccc(C)c1Br	MCULE-9211557747,EMOLS-id_331024141	371.675	CJFRXBSAYVSUIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110722
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(CCl)c12	EMOLS-id_331008183,MCULE-4730043986	371.675	AYNFSFUUCXVWAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110723
Brc1cc(C(=O)NCc2sc3CCCc3c2)c(Cl)nc1	PC-id_62000467	371.68	GAAIFGXLSOXBQS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110724
Brc1ccc(/C(=C/C2Sc3n(N2)c(nn3)CC)/Cl)cc1	PC-id_10619248	371.683	ZHIZPGBZUNYGAU-YFHOEESVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110725
Brc1ccc(C(=CC2Sc3n(N2)c(nn3)CC)Cl)cc1	PC-id_85207790	371.683	ZHIZPGBZUNYGAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110726
Brc1cc(C(Cl)c2sc3c(CCC3)c2)c(OC)cc1C	PC-id_65434913	371.72	WWZRZMWIEWJDNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110727
Brc1cc(C(Cl)c2sc3c(CCC3)c2)c(OCC)cc1	PC-id_63434228	371.72	VJILZXMEBKHQDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110728
Brc1c(C(Cl)c2sc3c(CCC3)c2)ccc(OCC)c1	PC-id_80285682	371.72	WJTZVDGMDMQCQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110729
CCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)Cl	PC-id_104661582	371.72	SXHPDXMXIQWDAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110730
Brc1cc(C(NCC)c2sc3CCCc3n2)ccc1Cl	PC-id_83230393	371.723	JKDXAXIWDIQHGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110731
Brc1cc(NC2CCc3sc(Cl)cc23)c(N(C)C)cc1	PC-id_81251956	371.723	LZARKMSDBYZHOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110732
Brc1c(C(NCC)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_81593393	371.723	MKXBEXAISCIROJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110733
Brc1c(C(NCC)c2sc3CCCc3n2)cc(Cl)cc1	PC-id_66155676	371.723	VHDVXDYRXHEHRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110734
CCNC(c1cc(Br)ccc1Cl)c1sc2c(n1)CCC2	PC-id_108397939	371.723	BONNTYLOVLSXRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110735
CCNC(c1ccc(c(c1)Cl)Br)c1sc2c(n1)CCC2	PC-id_108397940	371.723	ORQKYFJYTFMSOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110736
CCNC(c1ccc(cc1Cl)Br)c1sc2c(n1)CCC2	PC-id_116486826	371.723	KSGNFTZBLNBGCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110737
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)Br	PC-id_105335190	371.723	OOQNTLZVNWKFLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110738
c1(C(F)F)c2CCCc2n(CC(=O)NCCCn2cc(Cl)c(C)n2)n1	EMOLS-id_8867585,TIMTEC438119,MCULE-6787882350,PC-id_19591040,ZINC22_36614019	371.813	RWQGYTHKOPWZLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110739
CC(C(=O)O)Oc1cc(/N=c/2snc3n2CC(C3)C)c(cc1Cl)F	PC-id_13730618,SCHEMBL10547474	371.814	JKJGYXURDUEJTC-SDXDJHTJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110740
Fc1ccc(Cc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324836094	371.816	BYRJWLHUHAAYTE-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110741
Fc1ccc(Cc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_324835068	371.816	GSGMORVMBABXOE-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110742
Fc1cccc(Cl)c1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324834806	371.816	LMEHRSOZVHIQBV-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110743
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)Cc1ccc(F)cc1	MCULE-1783801530	371.816	BYRJWLHUHAAYTE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110744
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)Cc1ccc(F)cc1	MCULE-6949801847	371.816	GSGMORVMBABXOE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110745
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)Cc1ccccc1	MCULE-2886108714	371.816	LMEHRSOZVHIQBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110746
O=c1/c(=C/c2c(F)cccc2Cl)/sc2nnc(Cc3ccccc3)n12	ZINC22_6885310	371.816	ACTXWVFGKCCMMI-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-110747
O=C(CCc1ncc(c2ccccc2Cl)o1)NCc1nnc2n1CCC2	ZINC22_22192337,EMOLS-id_31371077,MCULE-2990001087,PC-id_30094902	371.821	COZOKJOPWUCEAJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110748
COCC(Oc1ccc(cc1S(=O)(=O)N1CCn2c1ncc2)Cl)C	EMOLS-id_319235235	371.839	ITQGIJDTKOBKCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110749
c1(NC(=O)C2CC(=NO2)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	BAS-09529429,EMOLS-id_1513301,PC-id_3158129,MCULE-8509810313	371.841	AEFXRPVFILOSAE-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110750
c1(NC(=O)C2CC(=NO2)c2ccccc2Cl)sc2c(CCC2)c1C#N	BindingDB-id_152175,MCULE-5997220914,PC-id_3158094,SPECS-id_AN-329/43211254,BAS-09529266,EMOLS-id_1513229,BindingDB_PC-id_3158094,CHEMBL1328880,TIMTEC609194	371.841	ZZMPXIQXIMGMMD-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110751
c1(NC(=O)C(=Cc2ccc(cc2)Cl)C#N)sc2c(CCC2)c1C(=O)N	PC-id_73551154,MCULE-2705773387	371.841	CPICBRYEIQBRSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110752
Clc1ccc(/C=C(/C(=O)Nc2sc3c(CCC3)c2C(=O)N)C#N)cc1	PC-id_19172711	371.841	CPICBRYEIQBRSC-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110753
N#Cc1c(NC(=O)[C@H]2CC(=NO2)c2ccccc2Cl)sc2c1CCC2	CoCoCo_380577,PC-id_7260033,ZINC22_4504966	371.841	ZZMPXIQXIMGMMD-OAHLLOKOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110754
N#Cc1c(NC(=O)[C@@H]2CC(=NO2)c2ccccc2Cl)sc2c1CCC2	ZINC22_4504964,PC-id_7260031,CoCoCo_380578	371.841	ZZMPXIQXIMGMMD-HNNXBMFYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110755
N#Cc1c(NC(=O)[C@@H]2CC(=NO2)c2ccc(Cl)cc2)sc2c1CCC2	CoCoCo_380652,PC-id_7260187,ZINC22_4505122	371.841	AEFXRPVFILOSAE-HNNXBMFYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110756
N#Cc1c(NC(=O)[C@H]2CC(=NO2)c2ccc(Cl)cc2)sc2c1CCC2	PC-id_7260194,CoCoCo_380651,ZINC22_4505130	371.841	AEFXRPVFILOSAE-OAHLLOKOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-110757
CCC1Cn2n(C1)/c(=Nc1cc(OC(C)C)c(cc1F)Cl)/sc2=O	SCHEMBL9131173	371.857	OAQUVOAHGVDZMI-XDJHFCHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110758
CCCc1cc2n(c1C(=O)c1ccccc1Cl)CC=C2C(=O)OC(C)C	SCHEMBL11604795,PC-id_70619556	371.857	WRGVZNAYZJKCEF-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-110759
CCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)Cl	SCHEMBL10817103,PC-id_20253927	371.857	LGHMQIZAKUWJSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110760
CC(Oc1cc(N=c2sc(=O)n3n2CC(C3)(C)C)c(cc1Cl)F)C	SCHEMBL9132138	371.857	HNOLYSCQSBHVKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110761
CC(Oc1cc(/N=c/sc(=O)n3n2CC(C3)(C)C)c(cc1Cl)F)C	SCHEMBL9410055	371.857	HNOLYSCQSBHVKW-XMHGGMMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-110762
Clc1c(OC(C)C)cc(/N=c/2sc(=O)n3n2CC(C3)(C)C)c(F)c1	PC-id_19937159	371.857	HNOLYSCQSBHVKW-RGEXLXHISA-N	00000010100000110001000010000000000000000000000000000000	25-01-110763
Clc1c(OC(C)C)cc(/N=c/2sc(=O)n3n2CC(C3)CC)c(F)c1	PC-id_67781853	371.857	OAQUVOAHGVDZMI-CYVLTUHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110764
COC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_59498333	371.859	HLRJQFGGWWPMJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110765
Clc1ccccc1/C=c/1sc2nc(/C=C/c3cccs3)nn2c1=O	EMOLS-id_45970252,ZINC22_27021933	371.864	BPRAYKCLBGMRAS-FAGQLRNJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110766
Clc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_27022398,EMOLS-id_45970412	371.864	NVZSKORGUWKQJF-FAGQLRNJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110767
Clc1cccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)c1	ZINC22_27021983,EMOLS-id_45970266	371.864	YXAANMKHEZZXKB-FKEISFMISA-N	00000000100100110001000010000000000000000000000000000000	25-01-110768
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)C=Cc1cccs1	MCULE-5875836542	371.864	NVZSKORGUWKQJF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110769
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)C=Cc1cccs1	MCULE-6872723915	371.864	BPRAYKCLBGMRAS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110770
n12nc(nc1sc(=Cc1cccc(Cl)c1)c2=O)C=Cc1cccs1	MCULE-5555719724	371.864	YXAANMKHEZZXKB-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110771
n12nc(nc1sc(=Cc1cccs1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8154460980	371.864	PKRMDXFNMKPAQL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-110772
c1(NC(=O)CC(c2ccc(cc2)Cl)n2cccc2)sc2c(CCC2)n1	PC-id_90489309,EMOLS-id_50001848,MCULE-2419850772	371.884	FYPORRYHHSZMKM-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-110773
Clc1ccc(cc1)N1CCCC1C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328114589,MCULE-8789421607	371.884	GANCFRGQVSFHCK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-110774
O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1nc2c(s1)CCC2	ZINC22_170622098,PC-id_99804846	371.884	FYPORRYHHSZMKM-INIZCTEOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-110775
O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1nc2c(s1)CCC2	ZINC22_170622099,PC-id_99804847	371.884	FYPORRYHHSZMKM-MRXNPFEDSA-N	00000010110000110001000010000000000000000000000000000000	25-01-110776
Clc1ccc(cc1)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109814	371.904	OYXCKZKXNNKBJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110777
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1ccccc1Cl	PC-id_92109846	371.904	QSGMFELYCFBYTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110778
ClC1c2[nH]c(NCCNS(=O)(=O)Cc3ccccc3)cc2SC1	PC-id_10156094	371.905	UHELZPGEHDBXRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110779
Clc1c(cc(S(=O)(=O)NCCc2nc3SCCn3c2)c(c1)C)C	PC-id_7640532	371.905	XNOZMBIOANZJDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110780
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC(=C2)CCl	PC-id_151591388	372.091	QIOSOAMDKDJRFK-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-110781
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2CCl	PC-id_152301307	372.091	WPKOPMZZCBCMAK-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-110782
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)CCl	PC-id_153305154	372.091	JYWRQOZKWPHAKU-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-110783
CC1=CC=CC=C1C(=O)C2=C(SC3=C2CC(C3)C(=O)OC)NC(=O)CN	PC-id_165010037	372.114	LUAALWKDYCXPNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110784
COC(=O)CCCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)C3=CC=NC=C3	PC-id_154795505	372.114	KDCCGSALSABYQK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110785
BrC(c1sc2c(CCC2)c1)c1ccc(Br)cc1	PC-id_55198934	372.118	GCMRJGRYTDSRQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110786
C[C@@H]1CCC2=C(C(=C(N12)C(=O)NC3=CC(=C(C=C3)C)Cl)C)C(=O)C(=O)C	PC-id_147822197	372.124	HPLKZCCUXJRFDO-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110787
O=C(c1ccccc1)c1ccc2n1CCC2C(=O)OCCCCO[N+](=O)[O-]	SCHEMBL5494179,PD163113,PC-id_9864258	372.13	BRYLPYVVKWRBSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110788
FB(n1c2ccsc2cc1/C(=C/1N=c2c(=C1)scc2)/C(F)(F)F)F	PC-id_139213363	372.144	UDHBIYQVHRULAP-MDWZMJQESA-N	00000010100000000000000110000000000000000000000000000000	25-01-110789
CC1CCc2c1c(O)nn2Cc1cc(F)ccc1I	MCULE-9038878182,EMOLS-id_330959092	372.177	FHMKCIDCZFUFHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110790
CC1CCc2c1c(O)nn2Cc1c(F)cccc1I	MCULE-7905555963,EMOLS-id_330958836	372.177	LFOHTLAYCKAYAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110791
CC1CCc2nn(Cc3cc(F)ccc3I)c(O)c12	EMOLS-id_331009441,MCULE-4295709383	372.177	PNURSEOQZVFIQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110792
CC1CCc2nn(Cc3c(F)cccc3I)c(O)c12	MCULE-3290266680,EMOLS-id_331009185	372.177	RFMNECNRYARYIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110793
Ic1c(C(=O)Nc2onc3c2CSC3)cccc1	PC-id_49719050	372.182	ZGTUDQBQPAQDAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110794
Ic1c(C(=O)Nc2n3CCSc3nn2)cccc1	PC-id_44007634	372.185	RLJUKTQATXTOPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110795
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(cc1)C#C	SCHEMBL10817505,PC-id_20253959	372.213	QQXKISVUJMEKNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110796
C/C=C
/N(C(=O)[C@H](CCN1[N+]#C)NC(=O)c1nn2C(CCc2n1)C(C)C)C	PC-id_163583951	372.214	SGFOKSARVFTDQO-QGOKGXGLSA-O	00000010100000000101000010000000000000000000000000000000	25-01-110797
C1CCC(C1)C2CCCN2C(=O)[C@@H]3CCCN3C(=O)C4=NN5CCOC5=C4	PC-id_154797339	372.216	HVAQYXJWRLFYCV-DJNXLDHESA-N	00000010100000000001100010000000000000000000000000000000	25-01-110798
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3)C(=NOC4CCCCC4)N)F	PC-id_154011378	372.219	JMCQCVGCDQISCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110799
Brc1cc(F)c(C(=O)NCc2sc3CCCc3c2)c(F)c1	PC-id_80125402	372.228	WFZDKHOZALVFHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110800
COc1cc(C)c(cc1S(=O)(=O)N1Cc2c(C1)cn[nH]2)Br	EMOLS-id_316616762	372.238	CRQPJYMVRKIWCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110801
Brc1cc(S(=O)(=O)NC(c2n3CCCc3nn2)C)cnc1	PC-id_61795566	372.241	UGXJAWLTONNHKC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110802
Brc1cc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cnc1	PC-id_61796484	372.241	DEMRGHAUJHQWRJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110803
Brc1c(OC)cc(/N=c/2snc3n2CC(C3)(C)C)c(F)c1	PC-id_70219972	372.256	YREXIGKMPANFQI-LGMDPLHJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110804
COc1cc(/N=c/snc3n2CC(C3)(C)C)c(cc1Br)F	SCHEMBL7889901	372.256	YREXIGKMPANFQI-GHRIWEEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-110805
COc1cc(N=c2snc3n2CC(C3)(C)C)c(cc1Br)F	SCHEMBL7889903	372.256	YREXIGKMPANFQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110806
Brc1c(scc1)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_63802921	372.257	ISHBORCTOGGFPL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110807
Brc1scc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)c1	PC-id_43172356	372.257	NZPMPGFBNWHQIT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110808
Brc1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)cc1	PC-id_43328017	372.257	SCOJCQCRUNDOSZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-110809
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)n(C)nc2CSCc12	MCULE-8084166950,EMOLS-id_334565808	372.269	XETUHUHWCYZVQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110810
Brc1c(F)cc(C(NCC)c2sc3c(CCC3)c2)c(F)c1	PC-id_64211193	372.271	RHSVHZYEPUISSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110811
CCNC(c1c(F)ccc(c1F)Br)c1sc2c(c1)CCC2	PC-id_106944671	372.271	RPKOLVGOOMMYLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110812
CNC(c1sc2c(c1)CCC2)Cc1c(F)ccc(c1F)Br	PC-id_106274041	372.271	HFPRRBSVJCSXLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110813
CCC1(CCCC1)C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_316551277	372.277	KGMUCZYKCNOBRU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-110814
NC(=S)c1ccc(c(c1Br)F)Nc1sc2c(n1)CCC2	PC-id_107534866	372.279	JAQNZJJWFXFSFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110815
Brc1ccc(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1	PC-id_61208978	372.3	RLAQQKJIHYOAQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110816
Brc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)ccc1	PC-id_61209158	372.3	WYLVCSKPLDPOMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110817
Brc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)cccc1	PC-id_61209157	372.3	UCHMJUGGMQMNDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110818
Brc1nc(c(s1)C(C)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_71701884,EMOLS-id_44755606,EMOLS-id_49402586,MCULE-2085108114,STOCK7S-37724,ZINC22_95473342	372.304	RCEAOBICEMHSNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110819
Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(c2CCCc12)C(F)(F)F	EMOLS-id_54825357	372.321	QPFSQKSCOWXBMF-CGOBSMCZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110820
n1(C)c(F)c(C=NNC(=O)Cn2nc(C(F)(F)F)c3CCCc23)c(C)n1	MCULE-8570109606	372.321	QPFSQKSCOWXBMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-110821
O=C(c1ccc(cc1F)C(F)(F)F)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8288680,PC-id_60001398	372.337	IDJZUTUGSWHFAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110822
c1(C(=O)O)c(NCc2c3CCCc3[nH]n2)noc1c1ccc(c(OC)c1)F	MCULE-3438442237,PC-id_137338949,EMOLS-id_317491317,ZINC22_1772703630	372.35	YUDPGUHICLVDIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110823
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-7671894541,EMOLS-id_322626628	372.355	HHRQHVSYZIBJIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110824
Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_322626372,MCULE-4748733235	372.355	KZGHXTGIFLCDMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110825
CSc1ccc(n1C(F)(F)F)C(=O)c1c(C)cc2n1CCC2C(=O)O	PC-id_70410403,SCHEMBL10641336	372.362	DNOPNEKUNIGDPR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-110826
CC1(C)NCc2sc(NC(=O)c3cc([C@@H](O)C(F)(F)F)ccn3)nc12	ZINC22_2325799092	372.365	UIRFCEKWROIGEX-LLVKDONJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110827
CC1(C)NCc2sc(NC(=O)c3cc([C@H](O)C(F)(F)F)ccn3)nc12	ZINC22_2325799093	372.365	UIRFCEKWROIGEX-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-110828
O=C(c1nn2c(c1)OCC2)N1CCC(CC1)c1scc(n1)C(F)(F)F	MCULE-7104101790,EMOLS-id_101298507	372.365	DGWXVICTYDDGTI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110829
c1(C(=O)N2CCN(CC2)c2nnc(C(F)(F)F)s2)c2CCCc2[nH]n1	ZINC22_215708606,MCULE-4576428483,EMOLS-id_49882755,PC-id_77087905	372.369	HDNDUFWLOWGJSE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-110830
Cn1nc2c(c1NC(=O)CCc1ncc(c3c(F)cccc3F)o1)CCC2	ZINC22_58370847,PC-id_47777217,EMOLS-id_33361523,MCULE-7324346328	372.369	ZZYQNMKHEHUJSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110831
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccn(CC(F)F)n1	EMOLS-id_189718848,ZINC22_194595036,MCULE-9879220120	372.372	LXYDDBYVYXUNND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110832
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)CCc1ccc([N+](=O)[O-])cc1)C	PC-id_10809278	372.372	WOYIWJNVLYCLEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110833
O=C(Cn1nc(ccc1=O)c1ccc(cc1)F)Nc1onc2c1CSC2	PC-id_121051587	372.374	QVRXOQQDLXVKOT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110834
C(=O)(c1c2CCCc2[nH]n1)NN=Cc1cc(OC)c(OC(=O)C)c(OC)c1	PC-id_2039163,MCULE-1842219081	372.375	AZCBIVRBBVJLGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110835
COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc(c1OC(=O)C)OC	SPECS-id_AT-225/NB41766,PC-id_6890722	372.375	AZCBIVRBBVJLGU-DJKKODMXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110836
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(=O)CC2)cc1)C	SCHEMBL2094105,PC-id_67275248	372.375	IBMIPAMALPGPEH-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110837
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(=O)CC2)cc1)C	SCHEMBL2094108,PC-id_67275249	372.375	IBMIPAMALPGPEH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110838
O=C(c1nn2c(c1)OCC2)N1CCN(C(C1)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_303342356	372.378	KYGJDOVPUAOCIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110839
O=C(c1nn2c(c1)OCC2)N1CCN([C@H](C1)C)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99574048	372.378	KYGJDOVPUAOCIU-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-110840
O=C(NCc1nnc2n1CCC2)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC22_24444298,EMOLS-id_29606425,MCULE-9507128841,CoCoCo_4780277,PC-id_31821325	372.378	NOSCAGOXNYNMBR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110841
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)c1ccncc1	PC-id_90932889	372.379	XREGSQAEWSDIJJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110842
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	PC-id_68442228,SCHEMBL2922963	372.38	KMBSBYOMHXKZPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110843
N#Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2915076,PC-id_68439465	372.38	YPTBGADRDPBSOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110844
O=C(/N=C
/C(=Nc2c1cc[nH]2)NC(=O)Nc1ccccc1)Nc1ccccc1	SCHEMBL21379775,PC-id_139508692	372.38	KOWXMVBDUIWKMJ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-110845
c12CN(Cc1nn(CCF)c2C(=O)NC1CC1)C(=O)OCc1ccccc1	EMOLS-id_324356967,MCULE-7096945514	372.393	GZFXAFFHYRCVMI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-110846
CN1CCCN(CC1)C(=O)c1oc2c(n1)CN(C2)C(=O)c1cccc(c1)F	PC-id_97525807	372.393	NCLTYTSOCBEGLZ-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-110847
Fc1cccc(c1)C(=O)N1Cc2nc(oc2C1)C(=O)NCCN1CCCC1	EMOLS-id_44304408,PC-id_97442836,ZINC22_96147312	372.393	VROJMIYOQFTCBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110848
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)[C@H]1CCCO1	SCHEMBL3457234,PC-id_10067869	372.393	PZCQXXQVWYYEGH-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110849
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)[C@@H]1CCCO1	SCHEMBL3464029,PC-id_10022153	372.393	PZCQXXQVWYYEGH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110850
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)C2OCCC2)(C)C)cc1	PC-id_85095121	372.393	PZCQXXQVWYYEGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110851
O=C(C1CCCCC1)Nc1cc(ccc1F)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99558548	372.393	WVWXAGOIHDXDKT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110852
c1(C(=O)OCC)c2CCCc2sc1NC=C1C(=O)OC(=N1)c1ccco1	PC-id_6809359,MCULE-7630117216	372.395	MTBBDWHALCWPFP-UHFFFAOYSA-N	00000011101000000001100010000000000000000000000000000000	25-01-110853
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)OC	MCULE-7148045405,PC-id_4119353	372.395	YMQRAENCVQXLDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110854
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OC	PC-id_1358632,MCULE-7535779162	372.395	ZIHGHAGRAZHUJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110855
CCOC(=O)c1c2CCCc2sc1N/C=C
/N=C(OC1=O)c1ccco1	CoCoCo_880443,EMOLS-id_25943804,ZINC22_13564171,PC-id_5454375,TIMTEC318594	372.395	MTBBDWHALCWPFP-PKNBQFBNSA-N	00000011101000000001100010000000000000000000000000000000	25-01-110856
CCOC(=O)c1c2CCCc2sc1N/C=C/1N=C(OC1=O)c1ccco1	EMOLS-id_26288369,STOCK2S-94297,ZINC22_100841442,CoCoCo_880444,PC-id_5553858	372.395	MTBBDWHALCWPFP-LUAWRHEFSA-N	00000011101000000001100010000000000000000000000000000000	25-01-110857
CCOC(=O)c1c(sc2c1CCC2)/N=C/c1c(oc(n1)c1ccco1)O	PC-id_135467625	372.395	IPOPADJAYSFCGJ-DJKKODMXSA-N	00000010101000000001100010000000000000000000000000000000	25-01-110858
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_683702	372.395	ZIHGHAGRAZHUJC-YFHOEESVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110859
COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	TIMTEC594018,CoCoCo_683701,EMOLS-id_25875177,PC-id_1358634,ZINC22_1200308	372.395	ZIHGHAGRAZHUJC-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110860
COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2	PC-id_1638497,ZINC22_1904952	372.395	YMQRAENCVQXLDG-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110861
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C=O)C(=O)N	PC-id_3550007	372.395	LFEAWHZODFLYTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110862
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(O)cc(OC)cc1)C#N	PC-id_8492020	372.395	FRSGFEMWYVEGJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110863
CN1CCN(CC1)C(=O)c1nn(C)c2CN(Cc12)C(=O)c1ccnc(F)c1	EMOLS-id_313747665,ZINC22_585110268	372.397	KDFHGZCMSKXUER-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-110864
c1(NC(=O)COc2cccnc2NC(=O)OC)sc2c(CCC2)c1C#N	MCULE-1858645434,EMOLS-id_321796389	372.398	OACIECSGJMELIQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110865
c1(NC(=O)C(=O)NN=Cc2cccnc2)sc2c(CCC2)c1C(=O)OC	MCULE-8147905027,PC-id_1979600	372.398	SZOZVYDVDOYIND-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110866
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1n[nH]c(c1)c1ccco1	PC-id_121083901	372.398	WGCHYJWHEGJHEU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-110867
COC(=O)c1c2CCCc2sc1NC(=O)C(=O)N/N=C/c1cccnc1	STOCK4S-66228,PC-id_6888516,EMOLS-id_26346931	372.398	SZOZVYDVDOYIND-DJKKODMXSA-N	00000010100000101000000010000000000000000000000000000000	25-01-110868
O=C(C(n1nc(ccc1=O)c1ccco1)(C)C)Nc1onc2c1CSC2	PC-id_121076437	372.398	JGXXPVQFMCNUBT-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-110869
s1c2CCCc2c(c1NC(=O)c1cc([N+](=O)[O-])c(NCCO)cc1)C#N	PC-id_24159580	372.398	UFVRBDHNQZYGLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110870
S1Cc2c(nn(c2NC(=O)c2occc2)CC(=O)NCc2occc2)C1	PC-id_44053236	372.398	QJIBFVWODKIAFP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-110871
S1Cc2c(noc2NC(=O)c2[nH]nc(c3c(OC)ccc(OC)c3)c2)C1	PC-id_49720053	372.398	KGERIIQQBJAUNK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110872
Cc1cc(nn1c1nn(c(=O)cc1)CC(=O)Nc1c2CSCc2no1)C	PC-id_90517779	372.402	RDHHCYSSPWRCEQ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-110873
N#Cc1c(NC(=O)CN2CCN(CC(F)(F)F)CC2)sc2c1CCC2	MCULE-1341005764,ZINC22_23249056,CoCoCo_4415204,EMOLS-id_13517810,PC-id_17564008,CoCoCo_4415205	372.408	BAQIRNNJULOJAT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110874
s1c2CCCc2cc1C(=O)OCC(=O)N(CCC#N)c1ccc(F)cc1	PC-id_16505602	372.413	YOFGCZSYCOOWNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110875
s1c2CCCc2cc1C(=O)OCC(=O)N(CCC#N)c1c(F)cccc1	PC-id_45637934	372.413	UIZHVAPPHIAQNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110876
s1c2CCCc2c(c1NC(=O)COC(=O)CCc1ccc(F)cc1)C#N	PC-id_8552494	372.413	KHPNJAZJNJGAOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110877
C=C(c1ccccc1)c1ccc2n1CCC2C(=O)OCCCCON(O)O	PC-id_89017477,SCHEMBL13089899	372.415	RLYBILJIUWXIPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110878
CCCCn1cccc1C(=O)c1ccc2n1CCC2(C(=O)OC)C(=O)OC	SCHEMBL11055091,PC-id_70504157	372.415	HIHXSSDGTWUAHA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-110879
COC(=O)c1c2C(C)CCc2nn1C(C)c1c(OC)cccc1OC(=O)C	EMOLS-id_330974652,MCULE-1004530270	372.415	FEKFFVJSYJPOJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110880
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N[C@@H](CCC(=O)O)C(O)O	MCULE-3780928410,EMOLS-id_328214641	372.415	ZTIHJTANZUQOQM-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110881
CC(=O)c1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	EMOLS-id_31548278,PC-id_46861290,MCULE-3493129134	372.417	OBSJRZQOMPJBNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110882
CC(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340431,ZINC22_51364480	372.417	OBSJRZQOMPJBNZ-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-110883
CC(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364479,PC-id_52340430	372.417	OBSJRZQOMPJBNZ-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110884
s1c2CCCc2nc1NC(=O)CCCc1onc(n1)c1ccc(F)cc1	PC-id_46453581	372.417	CQHWZVWYXRTSQC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-110885
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2ccc(cc2OC)OC)n1	MCULE-8502747845	372.418	CEAFEFWRRYXBKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110886
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccc(cc2OC)OC)n1	EMOLS-id_316327740,MCULE-7085305273	372.418	CEAFEFWRRYXBKY-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110887
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccccc2OCC)n1	MCULE-3583929376	372.418	YWTFUCYWPBHWBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110888
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2cccc(OC)c2C)n1	MCULE-3387588986	372.418	ZXZZNMBFFRYSHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110889
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccccc2OCC)n1	MCULE-3690607873,EMOLS-id_316332346	372.418	YWTFUCYWPBHWBV-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110890
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cccc(OC)c2C)n1	EMOLS-id_316336947,MCULE-4101333384	372.418	ZXZZNMBFFRYSHZ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110891
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3ccc(cc3)OC)C2)n1	MCULE-9312267965,EMOLS-id_316337457	372.418	QBIGGBCBHKRSRF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110892
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3cccc(OC)c3)C2)n1	MCULE-1693463288,EMOLS-id_316333880	372.418	FZLRMBINORTVIF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110893
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)COc3cccc(C)c3)C2)n1	EMOLS-id_316335924,MCULE-3116324670	372.418	IFEBNTSEURFIFG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110894
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)COCc3ccccc3)C2)n1	EMOLS-id_316336433,MCULE-8625837114	372.418	PZMKSBWGDUKOJH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110895
c1(C(=O)NCCOC)cc2n(CC(NC(=O)Cc3ccc(cc3)OC)C2)n1	MCULE-7802129853	372.418	QBIGGBCBHKRSRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110896
c1(C(=O)NCCOC)cc2n(CC(NC(=O)Cc3cccc(OC)c3)C2)n1	MCULE-6940582097	372.418	FZLRMBINORTVIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110897
c1(C(=O)NCCOC)cc2n(CC(NC(=O)COc3cccc(C)c3)C2)n1	MCULE-4037533934	372.418	IFEBNTSEURFIFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110898
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)Cc3ccc(cc3)OC)Cc12	MCULE-9620399445,EMOLS-id_317423215	372.418	BZYFIOINYCANCD-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110899
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)Cc3cccc(OC)c3)Cc12	MCULE-6370773860,EMOLS-id_316324661	372.418	NKYFSTODBVJZMO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110900
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)COCc3ccccc3)Cc12	MCULE-4147602807,EMOLS-id_316322612	372.418	CDZUDDWSRZKWAA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110901
c1(C(=O)NCCOC)cnn2CC(NC(=O)Cc3ccc(cc3)OC)Cc12	MCULE-8050609805	372.418	BZYFIOINYCANCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110902
c1(C(=O)NCCOC)cnn2CC(NC(=O)Cc3cccc(OC)c3)Cc12	MCULE-7001682434	372.418	NKYFSTODBVJZMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110903
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)CC(=O)OCc1ccccc1	SCHEMBL20953484,PC-id_138593170	372.418	BCTZCKBRGWBXKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110904
CCOC(=O)n1nc2c(c1NC(=O)Cc1ccc(cc1)OC)CNC2(C)C	PC-id_58015716,SCHEMBL12879119	372.418	SWYHNVATIORLMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110905
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)COCc1ccccc1	MCULE-4678015785	372.418	CDZUDDWSRZKWAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110906
C[C@]1(C=CSC(=N1)N)c1cc(NC(=O)c2cc3NCCn3n2)ccc1F	BindingDB-id_241592,SCHEMBL12358944,PC-id_136277827	372.42	JGSHZHANJDWJJX-KRWDZBQOSA-N	00000010100011110001100010000000000000000000000000000000	25-01-110907
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_4955503	372.421	MLIIULNEXPPVCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110908
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1)C#N	PC-id_4955474	372.421	PSQGSATVXMXJTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110909
s1c2CCCc2c(c1NC(=S)NC(=O)c1c([N+](=O)[O-])cccc1)C#N	PC-id_4955469	372.421	OIGKKSJLASFNDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110910
CC1OC(C)CN(C1)C(=O)Cn1ncc(c1)NC(=O)c1n[nH]c2c1CCC2	MCULE-2237929288,EMOLS-id_316306032	372.422	YZDPQLAGRZTRIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110911
CCCCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)COc1ccccc1	SCHEMBL2922886,PC-id_68442190	372.422	HNFWVUQGULAZJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110912
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1ccc(O)nn1)C2	EMOLS-id_313734868,ZINC22_1565555355	372.422	YFEFVABLUOKPJY-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-110913
C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3n[nH]c4c3CCC4)cn2)C[C@@H](C)O1	ZINC22_151824298	372.422	YZDPQLAGRZTRIE-TXEJJXNPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110914
C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3n[nH]c4c3CCC4)cn2)C[C@H](C)O1	ZINC22_151824370	372.422	YZDPQLAGRZTRIE-RYUDHWBXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110915
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3n[nH]c4c3CCC4)cn2)C[C@@H](C)O1	ZINC22_151824449	372.422	YZDPQLAGRZTRIE-VXGBXAGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-110916
CN(CC(OC(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1)C)C	PC-id_143492487	372.422	OAKBWZKWSRUIJT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-110917
COCCNC(=O)c1cnc2CCC(CNC(=O)c3ncnc(C)c3C)n12	EMOLS-id_313763008	372.422	QCUDBXUGTQPNNF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110918
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1ncnc(C)c1C)CC2	ZINC22_1565552223	372.422	QCUDBXUGTQPNNF-CYBMUJFWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110919
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1ncnc(C)c1C)CC2	ZINC22_1614935161	372.422	QCUDBXUGTQPNNF-ZDUSSCGKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-110920
c1(C(=O)N2CCN(CC2)CCNc2cn[nH]c(=O)n2)c2CCCc2n(C)n1	EMOLS-id_320481802,MCULE-6127725177,PC-id_84467377	372.425	KVQCKDXUNYONJL-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-110921
N1(CCN(CC1)C)c1cc(c(/N=C/c3n(nc(n3)C)C(=C2[N+]#[C-])[N+]#[C-])cc1)C	PC-id_59091122	372.426	NDJCDJWDHWQNMP-HKOYGPOVSA-N	00000011100010110001100010000000000000000000000000000000	25-01-110922
O=C(CC(C)(C)C)Nc1sc2c(c1C(=O)N1CC(C1)(F)F)C(OC2)C	PC-id_71450463,BindingDB_PC-id_71450463	372.43	MWFWGBCEXJTOQK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-110923
C[C@@H](NC(=O)c1occ2c1CCC2)c1cc(F)ccc1N1CCC(O)CC1	ZINC22_796917615	372.433	LIEODXAQLQDLFY-CYBMUJFWSA-N	00000010100010110000100010000000000000000000000000000000	25-01-110924
C[C@H](NC(=O)c1occ2c1CCC2)c1cc(F)ccc1N1CCC(O)CC1	ZINC22_796917617	372.433	LIEODXAQLQDLFY-ZDUSSCGKSA-N	00000010100010110000100010000000000000000000000000000000	25-01-110925
OC1CCN(CC1)c1ccc(cc1C(NC(=O)c1occ2c1CCC2)C)F	PC-id_138997456,MCULE-1394647950,EMOLS-id_320327673	372.433	LIEODXAQLQDLFY-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-110926
C1CCN(CC1)C(c1ccc(cc1)F)C(=O)N1Cc2c(C1)n(nc2)CCO	MCULE-5042731148,PC-id_91836696,EMOLS-id_55659606	372.437	RTODQHPZAPJFDC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110927
C1(=O)C(CCCN1Cc1ccccc1F)(CNCc1c2CCCc2[nH]n1)O	MCULE-4710285178,PC-id_45595160,EMOLS-id_29562278	372.437	VVEGXTRQFVWRBW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110928
C1(=O)C(CCCN1Cc1ccc(cc1)F)(CNCc1c2CCCc2[nH]n1)O	PC-id_45241781,MCULE-8835195668,EMOLS-id_20704985	372.437	VRCIASZBAFMZJF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110929
CC(C)[C@H](NC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1nnc2n1CCC2	ZINC22_80116044	372.437	VTKQNRCJYUTFET-UGSOOPFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110930
CC(C)[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1nnc2n1CCC2	ZINC22_80116047	372.437	VTKQNRCJYUTFET-SCLBCKFNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110931
CC(C)[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1nnc2n1CCC2	ZINC22_80116053	372.437	VTKQNRCJYUTFET-ACJLOTCBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110932
CC(C)[C@@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1nnc2n1CCC2	ZINC22_80116058	372.437	VTKQNRCJYUTFET-FZKQIMNGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110933
CCn1nc2c(c1C(=O)Nc1cc(ccc1F)C(=O)N(C)C)CCC2(C)C	PC-id_69602543,SCHEMBL5906556	372.437	CKFGNAZRVVMVRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110934
Fc1cccc(c1)CC1(CCOCC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318034305	372.437	LVHSTNZQKCWSSU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110935
Fc1ccc(cc1)CC1(CCOCC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318050102	372.437	UDQXQPBLBKDFCP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110936
Fc1ccc(cc1)CN(C(=O)NC1CC(n2c1ncc2)C)C1CCOCC1	EMOLS-id_318018711	372.437	BFSQEDNLSURNAE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110937
Fc1c(C(=O)CC(C(=O)NC(c2n3CCCc3nn2)C(C)C)C)cccc1	EMOLS-id_45762276,PC-id_71870722,MCULE-4333365906	372.437	VTKQNRCJYUTFET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-110938
OC1CCN(CC1)c1ccc(cc1C(NC(=O)c1n[nH]c2c1CCC2)C)F	MCULE-9573908816,PC-id_139006976,EMOLS-id_320372533	372.437	OWPOPFRYXPVUEH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-110939
O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CNCc1n[nH]c2c1CCC2	PC-id_92475128,ZINC22_15064589	372.437	VVEGXTRQFVWRBW-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110940
O=C1N(Cc2ccccc2F)CCC[C@]1(O)CNCc1n[nH]c2c1CCC2	ZINC22_15064590,PC-id_92475129	372.437	VVEGXTRQFVWRBW-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110941
O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1n[nH]c2c1CCC2	CoCoCo_1577814,PC-id_42197381,ZINC22_11820131,CoCoCo_1577812	372.437	VRCIASZBAFMZJF-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110942
O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1n[nH]c2c1CCC2	PC-id_42197379,ZINC22_11820130,CoCoCo_1577813,CoCoCo_1577815	372.437	VRCIASZBAFMZJF-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-110943
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccccc1	TIMTEC79151,ZINC22_17076253,CoCoCo_6832796,PC-id_17377947,EMOLS-id_4049837,MCULE-3135534802	372.438	BLYAZHMUQJGRJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110944
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccc(cc1)C	EMOLS-id_4049845,PC-id_17368447,MCULE-4063302486,TIMTEC447059,CoCoCo_6838696,ZINC22_17076260	372.438	SGKOXYYSOMEUTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110945
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccccc1C	MCULE-3578301578,EMOLS-id_2544268,ZINC22_6698982,TIMTEC149840,PC-id_6464853,CoCoCo_1043037	372.438	FMVJPUKOASWOLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110946
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_1775965264,MCULE-9693048796,EMOLS-id_313494116	372.438	YLOJAAOCHRMTPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110947
c1(NC(=O)Cc2ccc(c(OC)c2OC)OC)sc2c(CCC2)c1C#N	EMOLS-id_322819367,MCULE-9207354641	372.438	SJDCTAOZPZKYLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110948
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)N	PC-id_73557555,MCULE-1983647718	372.438	SNGIYSGCJXUOAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110949
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)N	MCULE-4540811973	372.438	RGINJTRLIWIJKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110950
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)N	MCULE-8887624609	372.438	PEAPNJLYXWVXHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110951
c1(NC(=O)CCC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccccc1	PC-id_6464954,EMOLS-id_2544348,TIMTEC372607,ZINC22_6699099,CoCoCo_1043220,MCULE-2562814143	372.438	PBKRZJRKBWQVNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110952
c1(NC(=O)C(=O)NCCc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-4517083192,CoCoCo_6533758,STOCK6S-07918,PC-id_8031351,ZINC22_6662883,EMOLS-id_4736532	372.438	MOBQBXQLLCSEEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110953
Cc1cc(C)cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_2924084,ZINC22_6549949,EMOLS-id_3496828,MCULE-8866979656,PC-id_3890078	372.438	FHGCITWUYZBIGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110954
Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1C	PC-id_2572048,MCULE-3167467052,NSC745810,ZINC22_3451800,EMOLS-id_45703142	372.438	DRBVYWUCKOQYHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110955
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1C	MCULE-7517221921,CoCoCo_2959564,EMOLS-id_3493660,PC-id_2563370,ZINC22_3443307	372.438	AEVWMDGJUKZDTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110956
CCc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_4399240,EMOLS-id_3458555,MCULE-5212780018,CoCoCo_2935255,ZINC22_6450525	372.438	BHMWPZRSTVXWHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110957
CC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2	ZINC22_170610473,PC-id_99794643	372.438	FAQOVSGZOUDNGG-GFCCVEGCSA-N	00000010101000000000000010000000000000000000000000000000	25-01-110958
CC(=O)c1c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2	ZINC22_170610474,PC-id_99794644	372.438	FAQOVSGZOUDNGG-LBPRGKRZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-110959
CCOC(=O)c1c(NC(=O)CNC(=O)c2ccccc2)sc2CCCc12	EMOLS-id_327880690,MCULE-7914388894	372.438	BWVMOTBNIZLYOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110960
CC(=O)Nc1ccc(cc1)NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	MCULE-8103368721,EMOLS-id_16763384,PC-id_17529622	372.438	VLDNQOYWLYPQQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110961
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_9069412,CoCoCo_2840722,PC-id_40924850	372.438	VLDNQOYWLYPQQI-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-110962
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_9069415,PC-id_40924852,CoCoCo_2840723	372.438	VLDNQOYWLYPQQI-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110963
CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1	MCULE-5869962616,EMOLS-id_33326938,ZINC22_4581591,PC-id_7291977	372.438	ZOZXGFFBQFBYQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110964
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N)cc1OC	PC-id_84410712,EMOLS-id_181323152	372.438	RGINJTRLIWIJKK-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110965
COc1cc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1OC	CoCoCo_3268203,PC-id_25502696,ZINC22_12776538,MCULE-1280281418,EMOLS-id_17170307	372.438	WFAURMBZRDECBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110966
COc1ccc(OC)c(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N)c1	EMOLS-id_181348476,PC-id_84418175	372.438	PEAPNJLYXWVXHA-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110967
COC1CN(C1)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)CCC2	SCHEMBL21247134,PC-id_139391345	372.438	WWOANXOAYFPBAL-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-110968
COC(=O)c1c(NC(=O)CNc2ccccc2C(=O)C)sc2c1CCC2	MCULE-1354361760,EMOLS-id_48204994,ZINC22_15125062,PC-id_45645406	372.438	GRGQJJSQPDZYJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110969
COC(=O)c1c(NC(=O)CNc2cccc(C(=O)C)c2)sc2c1CCC2	PC-id_29849210,EMOLS-id_43858470,ZINC22_21887080,MCULE-4415664342	372.438	INRIETTYSVZWLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110970
COC(=O)c1c(NC(=O)CNc2ccc(C(=O)C)cc2)sc2c1CCC2	PC-id_24406363,ZINC22_15085059,MCULE-2316714441,EMOLS-id_33331502	372.438	JMYBAOMYCVGHGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110971
NC(=O)c1c(NC(=O)COC(=O)CCc2ccccc2)sc2c1CCC2	EMOLS-id_29944224,ZINC22_5367696,CoCoCo_2906732,MCULE-2720747515,PC-id_4363936	372.438	ZTIAYWBRQWQDTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110972
O=C(C1CN(C(=O)C1)Cc1ccco1)Nc1sc2c(c1C(=O)C)CCC2	PC-id_102562830,MCULE-8425998971,EMOLS-id_50571343	372.438	FAQOVSGZOUDNGG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-110973
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)O)cc1)CC	PC-id_85015587	372.438	BQEKTMBHBNOQBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110974
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)O)cc1)/CC	PC-id_9462670	372.438	BQEKTMBHBNOQBE-HKWRFOASSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110975
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCC=C)cc1	PC-id_24540850	372.438	LCFQAKABBVGTIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110976
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)NC(=O)NCC	PC-id_78514128	372.438	RPDASNFKAPEHMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110977
s1c2CCCc2cc1C(=O)OC(C)C(=O)NC(=O)NCc1ccccc1	PC-id_78674910	372.438	SZSBZCMXVGAKTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110978
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)Nc1c(cc(cc1)C)C	PC-id_7623524	372.438	KHJJUYGEZUFAIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110979
s1c2CCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)NC(=O)NCC	PC-id_7623902	372.438	RPDASNFKAPEHMR-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110980
s1c2CCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)NC(=O)NCC	PC-id_7623904	372.438	RPDASNFKAPEHMR-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110981
s1c2CCCc2cc1C(=O)O[C@@H](C)C(=O)NC(=O)NCc1ccccc1	PC-id_8359534	372.438	SZSBZCMXVGAKTJ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110982
s1c2CCCc2cc1C(=O)O[C@H](C)C(=O)NC(=O)NCc1ccccc1	PC-id_8359540	372.438	SZSBZCMXVGAKTJ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110983
s1c2c(CCC2)c(c1NC(=O)c1cc(c(cc1)C)C)C(=O)NC(=O)OC	PC-id_7521451	372.438	SCKRPQMMGSZWLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110984
s1c2c(CCC2)c(c1NC(=O)c1c(ccc(c1)C)C)C(=O)NC(=O)OC	PC-id_7521492	372.438	RCVGVWCSKZHYQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110985
s1c2c(CCC2)c(c1NC(=O)c1c(cc(cc1)C)C)C(=O)NC(=O)OC	PC-id_7521493	372.438	QPDFBJGRSKZKRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110986
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_7521512	372.438	SPWJOGUQMTXYIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110987
s1c2c(CCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)NC(=O)OCC	PC-id_7521513	372.438	YSPBPIMVTKBWOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110988
s1c2c(CCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)NC(=O)OCC	PC-id_7521544	372.438	IWLDYXZJMGKTPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110989
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_41617327	372.438	ZHMLYLBHRCEBBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110990
s1c2c(CCC2)c(c1NC(=O)Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_7521563	372.438	GFMBLVVUGXNXTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110991
s1c2c(CCC2)c(c1NC(=O)CCc1ccccc1)C(=O)NC(=O)OC	PC-id_7521479	372.438	UDTDHTMPFGZMJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110992
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OC)cc(OC)cc1)C(=O)N	PC-id_19177903	372.438	SNGIYSGCJXUOAL-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110993
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)CC)C(=O)N	PC-id_26901255	372.438	CRBXNCVLNTWLKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110994
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cc(cc1)C)C)C(=O)N	PC-id_2543901	372.438	GOPNYYJVWGMUCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110995
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(ccc(c1)C)C)C(=O)N	PC-id_3374576	372.438	ROROGJVNASJCLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110996
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(cc1)C)C(=O)N	PC-id_8200882	372.438	FDONUWLWKJGQOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110997
s1c2c(CCC2)c(c1NC(=O)CON=Cc1ccccc1)C(=O)OCC	PC-id_7644005	372.438	GDEUPTMIVFQINM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110998
c1(NC(=O)c2ccccc2C(=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_327816236,MCULE-2474545052	372.44	FROWLTNPRVLMGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-110999
c1(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c(CCC2)c1C#N	ZINC22_3224978,PC-id_2343157,MCULE-2287656250,CoCoCo_3268182,EMOLS-id_2962767	372.44	CSDSWPUQFVPTPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111000
Cc1c2n(CCO2)nc1C(=O)NC1CCN(CC1)S(=O)(=O)CCOC	PC-id_91959936	372.44	AZTMMYALNZZMMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111001
C[C@@H](NC(=O)NC1CCN(c2cccc(F)c2)CC1)c1nnc2n1CCC2	ZINC22_1252024682	372.44	IDTDRWDOOLYPPC-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111002
C[C@H](NC(=O)NC1CCN(c2cccc(F)c2)CC1)c1nnc2n1CCC2	ZINC22_1252024688	372.44	IDTDRWDOOLYPPC-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111003
CN=C(N1CC(C)OC(C1)c1ccc(cc1)F)NCc1nnc2n1CCC2	PC-id_109524297	372.44	DGDALERBGVBCIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111004
COCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2	ChEMBL-DNDi_CHEMBLF2820-0700,ZINC22_10250639,PC-id_18586552,CoCoCo_5190607,EMOLS-id_5625816,MCULE-1557140361	372.44	YBWQTXFUIQOHPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111005
COCCNC(=O)c1cnc2CCC(CNC(=O)CCS(=O)(=O)C)n12	EMOLS-id_313778591	372.44	GIIWKQAQLXTKRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111006
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CCS(=O)(=O)C)CC2	ZINC22_1565551504	372.44	GIIWKQAQLXTKRE-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111007
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CCS(=O)(=O)C)CC2	ZINC22_1614933157	372.44	GIIWKQAQLXTKRE-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-111008
O=C(NC(c1nnc2n1CCC2)C)NC1CCN(CC1)c1cccc(c1)F	EMOLS-id_320348960,PC-id_139002922,MCULE-2565091783	372.44	IDTDRWDOOLYPPC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111009
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)OC)C2)n(C)nc2CSCc12	MCULE-5336168084,STOCK7S-18958,PC-id_53369126,EMOLS-id_36508326	372.441	RZUNKQDOONECFE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111010
c1(NC(=O)C2CC(=O)N(c3ccccc3OC)C2)n(C)nc2CSCc12	PC-id_52996823,MCULE-9305205818,STOCK7S-16158,EMOLS-id_35790168	372.441	QTMMIKPZGDWPHG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111011
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334337955,MCULE-8146552828	372.441	QNUMISARIKZXFH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-111012
Cc1ccc(cc1NC(=O)c1nn2c(c1)OCC2)C(=O)N1CCSCC1	EMOLS-id_99601284	372.441	KTBJLRCDQKDVRH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111013
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(C)nn3c2=O)cc1	EMOLS-id_324838126	372.441	OHVIRGOTZRIBSY-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111014
Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2cccnc2)c2CCCc12	EMOLS-id_50145276,PC-id_86266552,MCULE-8236112116	372.441	MBMYHMFIBZCKKF-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-111015
COc1ccccc1N1C[C@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O	ZINC22_61721507,PC-id_52902312	372.441	QTMMIKPZGDWPHG-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111016
COc1ccccc1N1C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O	ZINC22_61721508,PC-id_52902313	372.441	QTMMIKPZGDWPHG-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-111017
COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1	PC-id_95389825,ZINC22_71281922	372.441	RZUNKQDOONECFE-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111018
COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1	ZINC22_71281924,PC-id_95389826	372.441	RZUNKQDOONECFE-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-111019
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)C	MCULE-9344601023	372.441	OHVIRGOTZRIBSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111020
O=C(Nc1nc2c(s1)CCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1	EMOLS-id_30235898,MCULE-8123969971,ZINC22_15636882,PC-id_26723363	372.441	GJCJZIVLOBKLHF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111021
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(N2CCOCC2)nc1	PC-id_26052205	372.441	AVVHJZBVTDMQMC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-111022
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc([N+](=O)[O-])cc1	PC-id_44060385	372.441	MMIPKEQARIPJSL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111023
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc([N+](=O)[O-])ccc1	PC-id_44060384	372.441	XBFMXKHFPHVIJA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111024
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c([N+](=O)[O-])cccc1	PC-id_44060383	372.441	BIUQUHMCJMQTBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111025
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1	PC-id_7483979	372.441	JIUFLUIKWBRAOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111026
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ncccc1F	PC-id_109642481	372.443	OMWLOOOPSNARDI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-111027
c1(CN(C)C(=O)NCc2onc(Cc3cccs3)n2)c2CCCc2[nH]n1	MCULE-5021274142,ZINC22_584890771,EMOLS-id_177408666	372.445	YIQBOWZHJZPMLG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-111028
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCCCC1	MCULE-3610810933,TIMTEC458042,ZINC22_1062350,CoCoCo_1946150,EMOLS-id_2104824,PC-id_1252195	372.456	SSSWHMRTNPXETE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-111029
CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c(F)c1	MCULE-5963647474,CoCoCo_4256100,ZINC22_9156451,EMOLS-id_11907026,PC-id_17406590	372.456	IIMRSSZNYYREOY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111030
Fc1ccc(cc1)C(=O)CN1CCC(CC1)CN1Cc2c(C1=O)scc2	PC-id_17838924,SCHEMBL5247776	372.456	CAVPVBSWNKGPFK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-111031
Cc1cc(C)c(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(C)c1	PC-id_46861263,MCULE-7661467221,EMOLS-id_31548224	372.46	FGADWTLLNLMHIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111032
Cc1cc(C)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(C)c1	ZINC22_51364425,PC-id_52340376	372.46	FGADWTLLNLMHIU-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111033
Cc1cc(C)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(C)c1	ZINC22_51364426,PC-id_52340377	372.46	FGADWTLLNLMHIU-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-111034
CCc1ccc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	MCULE-8983043796,PC-id_46861343,EMOLS-id_31548384	372.46	YSQKKOZQWUTOAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111035
CCc1ccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340536,ZINC22_51364585	372.46	YSQKKOZQWUTOAA-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111036
CCc1ccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364586,PC-id_52340537	372.46	YSQKKOZQWUTOAA-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111037
CC(C)c1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	PC-id_46861267,EMOLS-id_31548232,MCULE-4632929223	372.46	VZJQKODQODSEFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111038
CC(C)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340385,ZINC22_51364434	372.46	VZJQKODQODSEFS-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111039
CC(C)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364433,PC-id_52340384	372.46	VZJQKODQODSEFS-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111040
CCOC(=O)N1CCC(CC1)NC(=O)c1sc2c(c1)CS(=O)(=O)C2	MCULE-9818734215,PC-id_45106331,CoCoCo_2175339,EMOLS-id_17435698	372.46	MOMGMEKFHDCSHE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-111041
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_49698355	372.46	DDKIXKDGNIZXIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111042
c12CN(Cc1n(nc2)CCO)Cc1cccc(OCCN2CCOCC2)c1	MCULE-9037498720,EMOLS-id_49885451,ZINC22_215837107,PC-id_77089474	372.461	GYKBPWGVHHZMAO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111043
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_2833422,EMOLS-id_1478519,MCULE-1746456663,BAS-06261197,PC-id_2190729,CoCoCo_346991	372.461	DNYDTPIHEJFPTG-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-111044
c1(NC(=O)CS(=O)CC(=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320678508,MCULE-5448855236	372.461	KRSUTVARSJDXDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111045
COc1ccccc1N1CCN(CC1)CCCn1c(=O)n2c(c1O)CCC2	PC-id_54147799,BindingDB_PC-id_54147799	372.461	OFPNXUWVJHQEMH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111046
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cc(SC#N)cc1)C	PC-id_7623800	372.461	WCVSCKCZLKFOFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111047
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(SCC#N)cccc1	PC-id_7238906	372.461	LMECIKYNIWKQOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111048
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(SC)cc1)C#N	PC-id_8507521	372.461	MBJZWODBQQNAGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111049
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(SC)cccc1)C#N	PC-id_8526411	372.461	XXYZKWCSMMMEFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111050
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc2CCCc2c1)C#N	PC-id_7623663	372.461	PSTWXIVNFMCOIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111051
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1sccc1C)C#N	PC-id_78682398	372.461	HRDNGKBZXVZXFH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-111052
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1sccc1C)C#N	PC-id_8385999	372.461	HRDNGKBZXVZXFH-AATRIKPKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-111053
s1c2CCCc2c(c1NC(=O)COC(=O)CSc1ccccc1)C#N	PC-id_8114626	372.461	GGEYULZTZRRDKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111054
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1OC)OC)C	PC-id_111296449	372.465	SMWGARUNXXQWLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111055
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(c(c1)OC)OC	PC-id_111020261	372.465	BFKKTXIWUIFTSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111056
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1cccc(c1)OC)C	PC-id_111501851	372.465	XFOVUQHNVXHSNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111057
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1ccccc1OC)C	PC-id_111502881	372.465	JBCADZCHCNKJNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111058
CN=C(N(CCc1ccc(c(c1)OC)OC)C)NCc1nnc2n1CCC2	PC-id_111241547	372.465	UNHVWZKVZBCZGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111059
COCCCOc1cccc(c1)NC(=NCc1nnc2n1CCC2)NCC	PC-id_109460570	372.465	ALYHZLCSSXDUPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111060
COCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCC2	PC-id_109626116	372.465	CKRMZNDZBXLVJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111061
CSc1nc(c2ccco2)nc(C)c1C(=O)Nc1nc2c(s1)CCC2	ZINC22_95947845,PC-id_75414024,MCULE-9844891881	372.465	SCDJQXYREYPYGD-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-111062
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C(C)C)c1ccc(F)cc1)C#N	PC-id_84935017	372.48	OOMAREGGQRHPAA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111063
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](C(C)C)c1ccc(F)cc1)C#N	PC-id_9133607	372.48	OOMAREGGQRHPAA-IBGZPJMESA-O	00000010100000110000000010000000000000000000000000000000	25-01-111064
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](C(C)C)c1ccc(F)cc1)C#N	PC-id_9133613	372.48	OOMAREGGQRHPAA-LJQANCHMSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111065
c1(c2CCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccccc1OC	PC-id_1047324,ZINC22_722369,EMOLS-id_2568780,MCULE-7767701040,CoCoCo_1731236,SPECS-id_AG-667/37281005,ChEMBL-DNDi_CHEMBL3261-0913	372.481	HMDUHOVHIMOCEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111066
c1(c2CCCc2sc1NC(=O)CCC)C(=O)Nc1ccccc1OCC	CoCoCo_6712016,TIMTEC65190,PC-id_4202002,MCULE-1993188535,EMOLS-id_2763654,ZINC22_4499590	372.481	AWPXQEKQEYCZIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111067
c1(c2CCCc2sc1NC(=O)C(C)C)C(=O)Nc1ccc(cc1)OCC	STOCK1S-92543,CoCoCo_6875991,EMOLS-id_1277426,PC-id_1106417,ZINC22_835685,MCULE-2058927623	372.481	HVYFGCLMGDHFHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111068
c1(cc(ccc1N(C)C)C)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4286347805,EMOLS-id_328143128	372.481	APUNQKYVMXKADY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111069
c1(NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388497,MCULE-4208554277	372.481	WXBSOWQGVKSHDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111070
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4522416882,EMOLS-id_334391058	372.481	FIGXGIJLKTVZKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111071
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-2805126331,EMOLS-id_334330590	372.481	UMWAPEJCRNMQNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111072
c1(NC(=O)c2cccc(c2)OCC(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-7017667516,EMOLS-id_334328542	372.481	QBWJTIJQDHMKLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111073
c1(NC(=O)c2ccc(cc2)OCCCC)sc2c(CCC2)c1C(=O)NC	ZINC22_5055688,EMOLS-id_16349103,PC-id_7474988,MCULE-3975984575,CoCoCo_2590254	372.481	GJAKVWANKGPJSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111074
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6303821267,EMOLS-id_334391314	372.481	NHZVLRCHFVMSGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111075
c1(NC(=O)c2cccc(OCCCC)c2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_16349139,CoCoCo_2590276,MCULE-4488462658,PC-id_7475014,ZINC22_5055714	372.481	PHKXIFLYVKEQHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111076
c1(NC(=O)c2ccnc(C(C)(C)C)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_4731325,MCULE-1362056455	372.481	RUNSEDJSANAPQB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111077
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386707,MCULE-2798374056	372.481	CWLJHTGRFNIJFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111078
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)N	PC-id_19173538,MCULE-9228800345	372.481	BHWZKWPASAIMJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111079
c1(NC(=O)CCCOc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)N	PC-id_19191492,MCULE-9113661917	372.481	KFVGXOSBJVRDMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111080
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331353,MCULE-4247440211	372.481	KOEKGIUDIZPQHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111081
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C(=O)NC	MCULE-8873645272,EMOLS-id_334329562	372.481	XRARBJWKDFRBPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111082
c1(NC(=O)CCCOc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)N	MCULE-9486906178,PC-id_19175557	372.481	ISSKTDKLOHLGLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111083
c1(NC(=O)CCCOc2cccc(C)c2C)sc2c(CCC2)c1C(=O)N	PC-id_19190974,MCULE-4690165885	372.481	PQWVJNWFDZTSPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111084
c1(NC(=O)C(CC)Oc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)N	PC-id_3677872,TIMTEC356345,MCULE-1069498895,EMOLS-id_4050007	372.481	OJDFXKIXNXSSNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111085
c1(NC(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)NC	MCULE-1256427816,EMOLS-id_334331612	372.481	AJHRDIITMCNFHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111086
c1(NC(=O)CCOC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6698416536,EMOLS-id_334329263	372.481	FJLICGZYFQOVMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111087
c1(NC(=O)CNC(C)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_177528420,PC-id_2860705,MCULE-9093463381	372.481	SWCYRIXPPIKLHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111088
c1(NC(=O)CNCCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2367594,ZINC22_2920639,MCULE-8025841452,PC-id_2258757,TIMTEC21413,CoCoCo_680910	372.481	BPJVCJYAJXKLTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111089
c1(NC(=O)CN(C(C)C)Cc2ccccc2)sc2c(CCC2)c1C(=O)O	MCULE-4183955508,PC-id_28866136,EMOLS-id_179130976	372.481	ZKCRHLPYULLVNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111090
c1(NC(=O)COc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)N	CoCoCo_690988,EMOLS-id_1856891,ChEMBL-DNDi_CHEMBL2279-3839,PC-id_1630951,MCULE-3168131910,ZINC22_1891529	372.481	BOCMZIQUVMCRDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111091
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)NC	MCULE-8324728218,EMOLS-id_334329561	372.481	RVCUPNJMUXIBNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111092
c1(NC(=O)COc2ccc(c(C)c2)C(C)C)sc2c(CCC2)c1C(=O)N	PC-id_19172761,MCULE-5816256657	372.481	YVCUBNJFNMERCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111093
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C(=O)NC	MCULE-6188608589,EMOLS-id_334330073	372.481	GIDNDIVGHCYBDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111094
Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_4503681,ZINC22_5927835	372.481	SMYBHCMMFVIYDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111095
CC1(C)CN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)C1(C)C	MCULE-1806794086,ZINC22_79912338,PC-id_96561145,EMOLS-id_50332635	372.481	KGLNFOMMJCUMFR-UHFFFAOYSA-N	00001010101000000000000010000000000000000000000000000000	25-01-111096
CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_7072875	372.481	MJXQZWTUVHMHNI-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111097
CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_7079944	372.481	MJXQZWTUVHMHNI-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111098
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_1002771,CoCoCo_5806984,PC-id_1225949	372.481	OJDFXKIXNXSSNF-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111099
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_1002772,CoCoCo_5806983,PC-id_1225950	372.481	OJDFXKIXNXSSNF-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111100
CCN(CC)c1cc(c(cc1)C=Nc1c(c2c(s1)CCC2)C(=O)OC)O	PC-id_135666260	372.481	SJWSAWQSMBLLES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111101
CCOC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2)sc2c1CCC2	CoCoCo_679112,PC-id_2257206,ZINC22_2916420	372.481	SWCYRIXPPIKLHN-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111102
CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2)sc2c1CCC2	PC-id_2257204,ZINC22_2916418,CoCoCo_679113	372.481	SWCYRIXPPIKLHN-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111103
CN(C1CCS(=O)(=O)C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328340883,MCULE-2098220903	372.481	BGGIMSBWHJTVSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111104
COc1ccccc1N1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956550	372.481	AYKLDHBPUVBMTO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111105
COc1ccc(cc1)N1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956552	372.481	KXSCLANJHOJIOP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111106
CSCCC(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	EMOLS-id_328212848,MCULE-4978773687	372.481	BLZOOOGZUKBUEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111107
O=C(COc1ccccc1C(C)(C)C)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_29596389,PC-id_24540843,MCULE-4097814099,CoCoCo_4274468	372.481	BYEJMBYQGDYTFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111108
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OCC(C)C)cc1	PC-id_85015585	372.481	ZDJZEHUBLMJGSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111109
s1c2CCCc2cc1C(=O)NNC(=O)COc1cc(c(C(C)C)cc1)C	PC-id_26872899	372.481	CWLCJTZBFLFBAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111110
s1c2CCCc2cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1	PC-id_26872664	372.481	NZLWNPWUFLAGIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111111
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(N(CC)CC)cc1	PC-id_4648676	372.481	GRLOIKZMZDTVRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111112
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1ccc(N(C)C)cc1)C	PC-id_46606765	372.481	MPTWBCUKHZDQFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111113
s1c2c(CCC2)c(c1N/C=C
/C(=O)C=C(N(CC)CC)C=C1)C(=O)OC	PC-id_24154200	372.481	DBEQPBVUXWHAHF-OUKQBFOZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-111114
s1c2c(CCC2)c(c1NC=C1C(=O)C=C(N(CC)CC)C=C1)C(=O)OC	PC-id_74209796	372.481	DBEQPBVUXWHAHF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-111115
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccccc1)CC)C(=O)OC	PC-id_18084895	372.481	IYOHKSFUNOVZCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111116
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccccc1)C)C(=O)OCC	PC-id_8901317	372.481	OGPVLIBDOSRFTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111117
s1c2c(CCC2)c(c1NC(=O)COc1ccc(C(CC)C)cc1)C(=O)N	PC-id_20408170	372.481	MJXQZWTUVHMHNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111118
c1(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-3371433491,EMOLS-id_322616929	372.483	SSVMKEZWFBWFLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111119
C(=O)(Nc1sc2CCCc2c1C#N)C(c1ccccc1)Cc1ccccc1	PC-id_11199605,MCULE-7939127726,SCHEMBL2657690,EMOLS-id_327933992	372.483	CMWAZULKAOGECW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111120
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1CC(=O)NCCC	ZINC22_23138828,EMOLS-id_24913187,PC-id_30862163,MCULE-8470649183,CoCoCo_5277524	372.484	DIAMDDWOYRBPAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111121
c1(NC(=O)C(C)(C)C)c2CSCc2nn1CC(=O)NCc1ccccc1	PC-id_30862717,ZINC22_23139476,MCULE-7666460375,EMOLS-id_24913521,CoCoCo_5277754	372.484	SFSZTJCWPVAGOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111122
c1(NC(=O)CCCCCNC(=O)c2ccccc2)n(C)nc2CSCc12	EMOLS-id_334566832,MCULE-1939776494	372.484	ZGWGONGZVLHMLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111123
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)n(C)nc2CSCc12	MCULE-2573582105,EMOLS-id_334562229	372.484	OUKPKBFEVUUITF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111124
c1(NC(=O)C(=O)NCc2ccc(cc2)C)c2CSCc2nn1C(C)(C)C	ZINC22_5438232,CoCoCo_5184707,MCULE-5263378497,EMOLS-id_5617900,PC-id_7685532	372.484	UPWGFGDRHUWBJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111125
c1(NC(=O)C(=O)NC(C)c2ccccc2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617904,PC-id_18584373,MCULE-8869926964	372.484	XRSONMHCAHAJEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111126
c1(NC(=O)C(=O)NCCc2ccccc2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617916,CoCoCo_5184716,MCULE-9109971058,PC-id_7685542,ZINC22_5438254	372.484	BPJCARMCTVISHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111127
C[C@H](NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2)c1ccccc1	CoCoCo_5184710,PC-id_7685536,ZINC22_5438243	372.484	XRSONMHCAHAJEG-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111128
C[C@@H](NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2)c1ccccc1	PC-id_7685537,ZINC22_5438244,CoCoCo_5184709	372.484	XRSONMHCAHAJEG-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111129
CCOc1ccnc(n1)N1CCCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_100625201	372.484	OSEBZLQQRDKNRP-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-111130
CCOc1ncnc(c1)NC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_99833074	372.484	GSFUYVKIAHUUJT-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-111131
CC(=O)NCc1cc(O[C@H]2CCN(Cc3nc4c(s3)CCC4)C2)ccn1	ZINC22_886056883	372.484	GAFBDUPEQFKITC-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111132
CC(=O)NCc1cc(O[C@@H]2CCN(Cc3nc4c(s3)CCC4)C2)ccn1	ZINC22_886056884	372.484	GAFBDUPEQFKITC-MRXNPFEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111133
CC(=O)NCc1nccc(c1)OC1CCN(C1)Cc1sc2c(n1)CCC2	MCULE-1333484978,EMOLS-id_316095017	372.484	GAFBDUPEQFKITC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111134
COc1ccccc1C1CNCCN1CC(=O)Nc1sc2c(n1)CCC2	PC-id_120753627	372.484	ULDJZJRPYPFJFA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111135
Oc1cccc(c1)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999982	372.484	WCAWQNGCXKOIJR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111136
O=C(N1CCN(CC1)c1ccccc1O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999931	372.484	WQPPJWAFBVMJNM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111137
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCC[C@H]1c1cccn1C	PC-id_9451144,CoCoCo_3882081,CoCoCo_3882082	372.484	WZJBFRTVGYWLQH-AWEZNQCLSA-N	00000010110000000000100010000000000000000000000000000000	25-01-111138
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCC[C@@H]1c1cccn1C	PC-id_9451146,CoCoCo_3882084,CoCoCo_3882083	372.484	WZJBFRTVGYWLQH-CQSZACIVSA-N	00000010110000000000100010000000000000000000000000000000	25-01-111139
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCOC(C1)c1ccncc1	EMOLS-id_102010803	372.484	LNXNMRCOYXKQJB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-111140
O=C(Nc1sc2c(n1)C(CC2)(C)C)N[C@@H]1CCO[C@H](C1)c1ccccn1	EMOLS-id_102010839	372.484	VIPKXJFQKNNKQC-TZMCWYRMSA-N	00000010100010101001100010000000000000000000000000000000	25-01-111141
O=C(NCCN1CCOCC1)c1cc2c(s1)CCN2Cc1cccnc1	ZINC22_96146771,EMOLS-id_44303516,PC-id_97442298	372.484	JFWBZAFZUVNUPB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111142
s1c2c(CCC2)c(c1NC(=O)CN1C(CCC1)c1n(ccc1)C)C(=O)N	PC-id_16341713	372.484	WZJBFRTVGYWLQH-UHFFFAOYSA-N	00000010110000000000100010000000000000000000000000000000	25-01-111143
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)CCCC	PC-id_44053378	372.484	USSOHICTAVSBHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111144
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)CC(C)C	PC-id_44053379	372.484	JSJMRALJNALSLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111145
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)C(C)C	PC-id_44053799	372.484	PVUUOGRVRMATEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111146
CCCCCCCCCc1ccc(cc1)C(=O)c1cc2c(s1)CCS2	PC-id_141350239	372.587	IGLFMNGFBSXNGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111228
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C)C)CC(=O)NCCC)C1	PC-id_44052873	372.484	CDWADIYHOXILLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111147
S1Cc2c(nn(c2NC(=O)Cc2cc(ccc2)C)CC(=O)NCCC)C1	PC-id_44052918	372.484	RUZXWUUDZFBJJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111148
S1Cc2c(nn(c2NC(=O)CCc2ccccc2)CC(=O)NCCC)C1	PC-id_44052920	372.484	UDQHYGIONAGRIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111149
S1Cc2c(nn(c2NC(=O)CCC)CC(=O)NCCc2ccccc2)C1	PC-id_44053798	372.484	WFFCNUWBTKMANQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111150
c12SCCn1cc(CNC(=O)N1CCCN(c3ccnc(C)c3)CC1)n2	MCULE-1834229473,PC-id_119069036,ZINC22_426552349,EMOLS-id_82727885	372.488	PBHBADQLNVYJBZ-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-111151
CN(CC(=O)Nc1nc2c(s1)CCC2)C1CCN(c2cnccn2)CC1	MCULE-3161601588,ZINC22_333022236,EMOLS-id_100884897	372.488	JNTNKWIRTMTURR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-111152
n1c2CCCc2sc1CCNC(=O)CN1CCN(CC1)c1ncccn1	MCULE-3265216179,EMOLS-id_46650280,ZINC22_95391358,PC-id_72937639	372.488	USBVFXOYAYUIQO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-111153
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)c1cccnn1	EMOLS-id_102007317	372.488	SPFJSLDNNKYJKK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-111154
Fc1ccc(cc1)C(=O)Nc1sc2CCCc2c1CN1CCCCCC1	ZINC22_4748609,PC-id_1281739,MCULE-1817827606,CoCoCo_4651611,EMOLS-id_6890076	372.499	CZJUEGOSCVQZLS-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-111155
CCc1ccc(cc1)C(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5230639470,EMOLS-id_328214128	372.503	FYHUEWNULAQRIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111156
CCc1cccc(CC)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6126991054,EMOLS-id_328219506	372.503	DFUGYELWBMXZBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111157
CC(C)c1cccc(C)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9723731912,EMOLS-id_328222066	372.503	FDPSCEPUHPGZOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111158
CCC(C)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328217470,MCULE-1431384657	372.503	XRPOIBYCTXDXET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111159
CC(C)(C)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8545471780,EMOLS-id_328218740	372.503	AKPHWSIDGOXEEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111160
CC(C)(C)c1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-4513802778,EMOLS-id_328217978	372.503	FBIGEKMFUIKSSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111161
CCCCc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328217970,MCULE-5334980788	372.503	VJAPIOPAHVKDBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111162
CC(C)(C)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328219764,MCULE-4757518703	372.503	UFMCMNNRECFFHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111163
CC(C)N(Cc1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328336537,MCULE-1963198566	372.503	VAEMXJRQBANBPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111164
CC(C)S(=O)(=O)N1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956507	372.503	COFFHUABVHGYDZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111165
CCCS(=O)(=O)N1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956508	372.503	SVHMLLNQOAOKRG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111166
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCc1ccccc1	MCULE-8158636944,EMOLS-id_328215667	372.503	ZGWXECYQZJTMCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111167
c1(NC(=O)CCCSc2ccc(cc2)OC)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBLF2812-1526,EMOLS-id_5623992,CoCoCo_5189429,ZINC22_10217988,PC-id_18585607,MCULE-5642201515	372.504	GXJLQPMNPDKERN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111168
c1(NC(=O)CS(=O)Cc2cc(C)ccc2C)sc2c(CCC2)c1C#N	MCULE-5660722578,EMOLS-id_320676974	372.504	QOMPGZUDLYUFLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111169
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CCCc1ccccc1	EMOLS-id_186618430,MCULE-7068412265	372.504	HMEDJZZFYURCRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111170
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)[C@H]1CC[C@H](C)CC1)C2	EMOLS-id_313734358,ZINC22_1565553489	372.504	AVQIPWRASUIBAI-WKILWMFISA-N	00000010100010000001000010000000000000000000000000000000	25-01-111171
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2	ZINC22_1565554608	372.504	VUBVEPHOTGBWKU-OAQYLSRUSA-N	00000010100011000001000010000000000000000000000000000000	25-01-111172
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2	ZINC22_1614935176	372.504	VUBVEPHOTGBWKU-NRFANRHFSA-N	00000010100011000001000010000000000000000000000000000000	25-01-111173
CC(C)n1nc(CN2CCOCC2)c2CN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313736916	372.504	VUBVEPHOTGBWKU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-111174
CCC(N1Sc2c(C1)sc(c2)C#Cc1ccc(cc1)N(C)C)C(=O)O	PC-id_143828614	372.504	AAXDXOYPRQXTFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111175
CC([NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(c1)C)CCC2)C	GD-id_ZINC04554485,PC-id_7280795	372.504	KPXLKVBKSYNFHO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111176
O=C(C1CSCN1C(=O)c1sc2c(c1)CCC2)NCc1ccccc1	EMOLS-id_29654781,MCULE-4494127734,PC-id_45886359	372.504	WPAKSTGSZQICDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111177
O=C(CC1CCCC1)NC1CCC(CC1)C(=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98809885	372.504	CXKXGDPRNOHLJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111178
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1CCN(CC1)C(=O)C	PC-id_92109719	372.504	FWQQFHWPVISTMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111179
O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)c1cc2c(s1)CCC2	PC-id_31982502,ZINC22_24660226,CoCoCo_4873472	372.504	WPAKSTGSZQICDC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111180
O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1cc2c(s1)CCC2	ZINC22_24660233,PC-id_31982508,CoCoCo_4873473	372.504	WPAKSTGSZQICDC-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111181
O=S(=O)(C1CCCCC1)N1Cc2c(C1)nc(s2)C#Cc1ccccc1	PC-id_71713612,BindingDB_PC-id_71713612	372.504	WSRUILODYOPYGR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111182
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(cccc1)C)C)C)C(=O)N	PC-id_40745934	372.504	RSXKAXAXUJKWPF-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111183
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(cccc1)C)C)C)C(=O)N	PC-id_40745936	372.504	RSXKAXAXUJKWPF-CYBMUJFWSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111184
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccc(cc1)C)C)C)C(=O)N	PC-id_40760946	372.504	YZXWWGYHHWFPCQ-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111185
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccc(cc1)C)C)C)C(=O)N	PC-id_40760948	372.504	YZXWWGYHHWFPCQ-CYBMUJFWSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111186
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C(C)C)c1ccccc1)C(=O)N	PC-id_84934455	372.504	HDXNUHWHCQDXPV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111187
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](C(C)C)c1ccccc1)C(=O)N	PC-id_9131976	372.504	HDXNUHWHCQDXPV-SFHVURJKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111188
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](C(C)C)c1ccccc1)C(=O)N	PC-id_9131978	372.504	HDXNUHWHCQDXPV-GOSISDBHSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111189
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(cccc1)C)C)C)C(=O)N	PC-id_74713255	372.504	RSXKAXAXUJKWPF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111190
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1ccc(cc1)C)C)C)C(=O)N	PC-id_74719414	372.504	YZXWWGYHHWFPCQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111191
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(cc1)CC)C)C(=O)N	PC-id_8908250	372.504	WGKFBZAEBCXSNE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111192
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC)C(=O)Nc1ccccc1	PC-id_6980547	372.504	RGQRUPOCPWZVQK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111193
CC(C)[C@H](C)/N=C(/O)[C@H]1CSCN1S(=O)(=O)c1cnc2n1CCC2	ZINC22_329996855	372.506	POJASGOZFOUPGG-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111194
CC(C)[C@H](C)/N=C(/O)[C@@H]1CSCN1S(=O)(=O)c1cnc2n1CCC2	ZINC22_329996856	372.506	POJASGOZFOUPGG-RYUDHWBXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111195
CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cnc2n1CCC2	ZINC22_332946562	372.506	POJASGOZFOUPGG-NEPJUHHUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111196
CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cnc2n1CCC2	ZINC22_332946565	372.506	POJASGOZFOUPGG-VXGBXAGGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111197
CC(C(NC(=O)C1CSCN1S(=O)(=O)c1cnc2n1CCC2)C)C	EMOLS-id_100182657,MCULE-1419304829	372.506	POJASGOZFOUPGG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111198
CCS(=O)(=O)N1CCC(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99846152	372.506	ZHMDTSLVARTJHD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111199
O=C(N1CCCN(CC1)S(=O)(=O)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000030	372.506	BOGHZGQRFBHUQW-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-111200
O=C(N(C1CCN(C1)S(=O)(=O)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010692	372.506	AVONGKDIFMQCPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111201
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCCN(C1)S(=O)(=O)C	EMOLS-id_102000171	372.506	NEMBFRRJQAUGDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111202
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCN(C1)S(=O)(=O)C	EMOLS-id_102005577	372.506	GDIIINQJGCAKCD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111203
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC[C@H]1CCCN1S(=O)(=O)C	EMOLS-id_102005574	372.506	WQWTVERAXIYTSI-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111204
c1(C(=O)Nc2sc3c(CCC3)n2)c(CC(C)C)sc(n2cccc2)n1	EMOLS-id_323454618,MCULE-8703277291	372.508	DQIKLUQKLWXRMB-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-111205
s1c2CCCc2c(c1NC(=O)CCCSc1nc(cc(n1)C)C)C#N	PC-id_60146674	372.508	QXPPMTFBFQHZNA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-111206
O=C(NC1CCc2c1cc(s2)C)CC[C@@H](N(C)C)Cc1ccc(cc1)O	PC-id_139363015,SCHEMBL21214715	372.524	VHWJBCQRNMHSDY-VTBWFHPJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111207
O=C(NC1CCc2c1sc(c2)C)CC[C@@H](N(C)C)Cc1ccc(cc1)O	PC-id_139363021,SCHEMBL21214721	372.524	AKXLXVMCRHNXKL-DUSLRRAJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111208
O=C(NC1CCc2c1scc2C)CC[C@@H](N(C)C)Cc1ccc(cc1)O	PC-id_139363022,SCHEMBL21214722	372.524	LDMMTGYSEJIWCB-VTBWFHPJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111209
s1c2c(CCC2)c(c1NC(=O)CSC(=S)N(C)C)C(=O)OCC	PC-id_3880520	372.526	FLXKNQOIPSZDCV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111210
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(SC)cc1)C)C#N	PC-id_2112946	372.527	XLHXYJFYLTZLPQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111211
C/C=C(/C(=NC(=NC)C(C)(C)C)C)C=C/C(=C)n1[nH]c2c(c1=O)CSC2	PC-id_144021286	372.528	LNUBEELWEFLMCS-HRGHRBKNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111212
N#Cc1c(NC(=O)CCN2CCC(C2)N2CCCCC2)sc2c1CCC2	EMOLS-id_98758760	372.528	VPTYMAJAFCOKEN-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-111213
N#Cc1c(NC(=O)C(N2CCC(C2)CN2CCCC2)C)sc2c1CCC2	EMOLS-id_99525150	372.528	DBXACYVRPPJXFP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111214
N#Cc1c(NC(=O)C(N2CCC(C2)N2CCCCC2)C)sc2c1CCC2	EMOLS-id_98758340	372.528	SKOCUNVLAXROEJ-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-111215
N#Cc1c(NC(=O)C(N2CCCC(C2)N2CCCC2)C)sc2c1CCC2	EMOLS-id_99585986	372.528	NJTWDOGYMPJFPW-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-111216
N#Cc1c(NC(=O)C(N2CCN(CC2)C2CCCC2)C)sc2c1CCC2	EMOLS-id_99083765	372.528	QHHLECYRJWVRPR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111217
O=C(c1cnc2n1CCC2)N1CCC(CC1)Cc1scc(n1)C(C)(C)C	EMOLS-id_316660968	372.528	PIHDBHNEHRQJCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111218
O=C(c1cnn2c1CCC2)N1CCC(CC1)Cc1scc(n1)C(C)(C)C	EMOLS-id_319799681	372.528	CLBGDWCFHYYERD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111219
O=C(c1nc2n(c1)CCC2)N1CCC(CC1)Cc1scc(n1)C(C)(C)C	MCULE-6860068659,EMOLS-id_319966978	372.528	YJOOHRBCCBCQRH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111220
c1(CN2CCN(CC2)c2c(C)c(C)nc(SC)n2)c2CCCc2nn1C	EMOLS-id_324592437,MCULE-5972914709,ZINC22_1888864082	372.531	ILDBXUYYKHOIQP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-111221
CN(Cc1nccc(N)n1)[C@H]1CCCN(Cc2nc3c(s2)CCC3)CC1	ZINC22_886048313	372.531	AVLYBSPJTXYNKD-AWEZNQCLSA-N	00000010100000100101000010000000000000000000000000000000	25-01-111222
CN(Cc1nccc(N)n1)[C@@H]1CCCN(Cc2nc3c(s2)CCC3)CC1	ZINC22_886048314	372.531	AVLYBSPJTXYNKD-CQSZACIVSA-N	00000010100000100101000010000000000000000000000000000000	25-01-111223
CN=C(NCC1(CCCCC1)c1cccs1)NCc1nnc2n1CCC2	PC-id_111637130	372.531	RJRPNRLKDZZBBL-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-111224
Nc1ccnc(n1)CN(C1CCCN(CC1)Cc1sc2c(n1)CCC2)C	EMOLS-id_316014789,MCULE-6709669927	372.531	AVLYBSPJTXYNKD-UHFFFAOYSA-N	00000010100000100101000010000000000000000000000000000000	25-01-111225
Cc1ccc(cc1)C(C)(C)COCCOCC1(Cc2c(C1)sc(c2)C)C	SCHEMBL19981876,PC-id_134355470	372.564	BSLAKYKMTDXFGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111226
CN(C)C1CCCCC2C1C(C2)N=C(c1c(sc2c1CCC2)NC=C)N	PC-id_136447427	372.571	WOWZWISZIMZCOG-UHFFFAOYSA-N	00001010100000000100001010000000000000000000000000000000	25-01-111227
CC(C)(C)[Si](C)(C)OC(C)(C)[C@@H]1CCc2nn(c[n+]12)Cc1ccccc1	PC-id_134832323	372.6	WYULBHLXYQOCQF-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111229
Cc1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324842723	372.625	WECYMPXEBBEKMG-OQFOIZHKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111230
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)C	MCULE-6102179386	372.625	WECYMPXEBBEKMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111231
c12C(C)CCc1n(nc2Cl)Cc1ccc(cc1)I	MCULE-6200633542,EMOLS-id_330973431	372.632	OPNXPKAWXFWCLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111232
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)Cl	MCULE-3023938044,EMOLS-id_330980860	372.632	AJRHTFGHGWMVSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111233
CC1CCc2c1c(Cl)nn2Cc1ccccc1I	EMOLS-id_330973943,MCULE-9282482182	372.632	ITULQMSOWVIXMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111234
CC1CCc2c1c(Cl)nn2Cc1cccc(I)c1	MCULE-9795441609,EMOLS-id_330973687	372.632	DUNBRGKEPXGYAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111235
CC1CCc2c1c(I)nn2Cc1ccccc1Cl	MCULE-7390449988,EMOLS-id_330979579	372.632	AQHXJGYUWNNIEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111236
CC1CCc2nn(Cc3ccccc3Cl)c(I)c12	EMOLS-id_330963639,MCULE-3508223714	372.632	AJLNSJHUXBPISD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111237
CC1CCc2nn(Cc3ccccc3I)c(Cl)c12	MCULE-7203560399,EMOLS-id_330959027	372.632	ZMIYRMMTYUBSTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111238
CC1CCc2nn(Cc3cccc(I)c3)c(Cl)c12	MCULE-6862488672,EMOLS-id_330958771	372.632	GNUTYASTGACBLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111239
CC1CCc2nn(Cc3ccc(Cl)cc3)c(I)c12	EMOLS-id_330964920,MCULE-2928225722	372.632	HTPHGXLPPIYWHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111240
CC1CCc2nn(Cc3ccc(I)cc3)c(Cl)c12	EMOLS-id_330958515,MCULE-1563090237	372.632	GXNIVCVBUXRSPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111241
Brc1cc(c(NC2CCc3sc(Cl)cc23)c(OC)c1)C	PC-id_81252180	372.708	QYKDQEGBVLARMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111242
Brc1c(c(NC2CCc3sc(Cl)cc23)ccc1)COC	PC-id_81252591	372.708	RIHDMAIVLGHKKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111243
Brc1c(OC)c(C(N)c2sc3c(CCC3)c2)cc(Cl)c1	PC-id_43464071	372.708	REZBUQNITMKUKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111244
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2Cl)C(F)(F)F)n1	MCULE-5358649777,EMOLS-id_330992120	372.769	VLKMDHBLFZPZGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111245
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)C(F)(F)F)n1	EMOLS-id_330990585,MCULE-2747492987	372.769	RQWJXLVUYBUPCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111246
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1Cl)C(F)(F)F	MCULE-2296424412,EMOLS-id_330973876	372.769	VXZIIICPMWDWKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111247
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)C(F)(F)F	MCULE-1848962393,EMOLS-id_330976436	372.769	GHODROVSSVFPOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111248
c1(C#N)c2CCCc2sc1NC(=O)c1ccc(Cn2cc(cn2)Cl)o1	ZINC22_20608236,EMOLS-id_17072769,MCULE-2477145925,TIMTEC569428,PC-id_29092803	372.829	YGWSHASMHAOBGB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-111249
c1(CNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c2CCCc2nn1C	EMOLS-id_53884607,PC-id_91819368,MCULE-1832416006	372.849	FOFHRROWTOKPGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111250
CN1C(=O)CC[C@@H](C(=O)N=c2cc3n([nH]2)CCC3)[C@H]1c1cccc(Cl)c1	ZINC22_1857530895	372.849	PFWXSUVTHOKIAF-CRAIPNDOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111251
CN1C(=O)CC[C@H](C(=O)N=c2cc3n([nH]2)CCC3)[C@H]1c1cccc(Cl)c1	ZINC22_1857530896	372.849	PFWXSUVTHOKIAF-MAUKXSAKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111252
CN1C(=O)CC[C@@H](C(=O)N=c2cc3n([nH]2)CCC3)[C@@H]1c1cccc(Cl)c1	ZINC22_1857530897	372.849	PFWXSUVTHOKIAF-QAPCUYQASA-N	00000010100010110001100010000000000000000000000000000000	25-01-111253
CN1C(=O)CC[C@H](C(=O)N=c2cc3n([nH]2)CCC3)[C@@H]1c1cccc(Cl)c1	ZINC22_1857530898	372.849	PFWXSUVTHOKIAF-YJBOKZPZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111254
Cn1nc2c(c1CNC(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CCC2	PC-id_100759111,ZINC22_225817385	372.849	FOFHRROWTOKPGC-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111255
Cn1nc2c(c1CNC(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CCC2	ZINC22_225817361,PC-id_100759106	372.849	FOFHRROWTOKPGC-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111256
O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cnn3c2CCC3)CC1	MCULE-7284685146,EMOLS-id_313135935,ZINC22_294670274	372.849	XAOSKGUFKBVPSR-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-111257
O=C(C1CCC(=O)N(C1c1cccc(c1)Cl)C)Nc1nn2c(c1)CCC2	PC-id_146105907,EMOLS-id_324066926,MCULE-3689408509	372.849	PFWXSUVTHOKIAF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111258
BrC1=CC(=O)c2c1c(Br)sc2Br	NSC704556,CoCoCo_5771151,PC-id_397155	372.859	GMPZNLGMGBOGRJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-111259
c1(C(=O)NCCc2scc(c3ccc(cc3)Cl)n2)c2CCCc2[nH]n1	EMOLS-id_49408378,EMOLS-id_48569330,STOCK7S-43838,PC-id_71708052,MCULE-5741729990,ZINC22_95478862	372.872	ZAOUXBNEIKHKKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111260
c1(NC(=O)Cc2c(C)[nH]nc2c2ccc(cc2)Cl)sc2c(CCC2)n1	EMOLS-id_323271906,MCULE-2140689327	372.872	YMXWSPLYZQRFDD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111261
ClCc1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	EMOLS-id_328223609,MCULE-2698214171	372.872	WVRLATRROZHJKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111262
c1(C(=O)NCC(c2ccc(cc2)Cl)N2CCCCC2)c2CCCc2[nH]n1	PC-id_91831306,EMOLS-id_55622390,MCULE-2052960708	372.892	CSAIAZIEAPJCRB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111263
Clc1ccc(cc1)C1CCCCCN1C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101579211	372.892	YCPUCWHIDSXVRN-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-111264
Clc1ccc(cc1)C1(C)CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421717	372.892	MLWDOFNVNGIJKC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111265
Clc1cccc(c1)C1(C)CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421729	372.892	XMJHKNGDEBFRIO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111266
Clc1cccc(c1)NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109971	372.892	DZFVISGKPCGWCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111267
Clc1cc(C(=O)NC2CCC(CC2)Cn2nc3c(c2)CCC3)c(nc1)C	PC-id_67362077	372.892	UVKGWNIRLPNREG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111268
Clc1cc(C(=O)NC2CCC(CC2)Cn2ncc3c2CCC3)c(nc1)C	PC-id_53357407	372.892	SIVDZRMKCXLRPY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111269
Clc1cnc(c(c1)C(=O)N[C@@H]1CC[C@H](CC1)Cn1nc2c(c1)CCC2)C	SCHEMBL2318590,BindingDB-id_464063	372.892	UVKGWNIRLPNREG-CZIWCDLHSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111270
Clc1cnc(c(c1)C(=O)N[C@@H]1CC[C@H](CC1)Cn1ncc2c1CCC2)C	SCHEMBL2322419	372.892	SIVDZRMKCXLRPY-CZIWCDLHSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111271
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Nc1ccccc1Cl	PC-id_92109986	372.892	IGTMPPKUUGVXFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111272
O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1n[nH]c2c1CCC2	ZINC22_244574823	372.892	CSAIAZIEAPJCRB-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111273
O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1n[nH]c2c1CCC2	ZINC22_244574824	372.892	CSAIAZIEAPJCRB-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111274
Clc1nc2n(c1S(=O)(=O)Nc1ccc(c(c1)N(C)C)C)CCS2	SCHEMBL1590119,PC-id_58230826	372.893	UOENTNVYJGKAPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111275
Clc1nc2SCCn2c1S(=O)(=O)Nc1c(N)c(c(c(c1)C)C)C	PC-id_44544803	372.893	NSTIEEFZTQOJHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111276
CCNC(=NCc1nnc2n1CCC2)NCC1(CC1)c1cccc(c1)Cl	PC-id_111639712	372.895	FVTQNVXNWADLOZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-111277
CCCCC(NC1CCc2c1cc(s2)Cl)CNC(=O)OC(C)(C)C	PC-id_113937443	372.953	GDIYJOFTLRPKBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111278
CC(C(=O)OC(C)(C)C)N1C(=O)C2=C(C1(C)C)SC(=C2)Br	PC-id_155146806	373.035	HWCNPIBKLWAOHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111279
CCOC(=O)C1=C(SC2=C1CCC2)CC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C	PC-id_149544680	373.098	ZPDVEFAZAYGGEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111280
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3F)SC4=CC=NN4	PC-id_164872176	373.101	XKDVRNDSKCPCKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111281
C/C=C(C=C)/SN1C=C2CN(CC2=N1)C(=O)C(CO)C3=CC=CC=C3F	PC-id_164872038	373.126	KYSKLRJSJLQVMO-LNKIKWGQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111282
CCCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)OC)SC	PC-id_148550470	373.135	WNMWZMZCEIFDPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111283
CCOC(=O)N1C2=C(CNC2(C)C)C(=N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]	PC-id_153631922	373.139	HCNAOSGTFPQEOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111284
c12CN(Cc1nn(CC(C)C)c2I)CC(F)(F)F	EMOLS-id_324343907,MCULE-8642587893	373.157	RXHVLJPVBYESPD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111285
CCCCCCCCOC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CS3	PC-id_153879372	373.171	RELRTUNYSWZESI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-111286
CC1CCc2c1c(Br)nn2Cc1cccc(c1C)C(F)(F)F	EMOLS-id_330971378,MCULE-9403422924	373.211	ILTKRNBNDBQAOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111287
CC1CCc2c1c(Br)nn2Cc1cc(ccc1C)C(F)(F)F	MCULE-9200015290,EMOLS-id_330970610	373.211	CNZVABYTSJIEKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111288
CC1CCc2c1c(Br)nn2Cc1ccc(C)c(c1)C(F)(F)F	EMOLS-id_330970866,MCULE-7373212816	373.211	WMXTYWHFSUUQEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111289
CC1CCc2c1c(Br)nn2Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_330971122,MCULE-8851793647	373.211	IAKMRMGTDVVOJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111290
CC1CCc2c1c(CBr)nn2Cc1cccc(c1)C(F)(F)F	EMOLS-id_331030031,MCULE-8655121271	373.211	WBJKDBXELBNHRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111291
CC1CCc2c1c(CBr)nn2Cc1ccc(cc1)C(F)(F)F	MCULE-1927203966,EMOLS-id_331029774	373.211	IHRHYLPRGJLVPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111292
CC1CCc2c1c(CBr)nn2Cc1ccccc1C(F)(F)F	MCULE-5952077828,EMOLS-id_331027983	373.211	IYVFINDCEOREKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111293
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(Br)c12	EMOLS-id_331014831,MCULE-8444990802	373.211	OOBVPHTXSWQVNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111294
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(Br)c12	EMOLS-id_331018158,MCULE-6590194515	373.211	STPPPLFSRSZFEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111295
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(CBr)c12	EMOLS-id_331011001,MCULE-3290837978	373.211	RQPFGMHOCVQOLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111296
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(CBr)c12	EMOLS-id_331012792,MCULE-4428657473	373.211	TZZMBFBYYVELLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111297
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(CBr)c12	EMOLS-id_331013049,MCULE-8070826907	373.211	UXFIAQOASXEWOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111298
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(Br)c12	EMOLS-id_331014575,MCULE-4823775488	373.211	NERVKNHXVZKMHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111299
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(Br)c12	MCULE-7482629606,EMOLS-id_331014319	373.211	XBKZDNQDZVWSET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111300
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1Br	EMOLS-id_331020450,MCULE-1372842111	373.211	TUCBNIHTADXOBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111301
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-2792670038,EMOLS-id_331022243	373.211	NCQOHXDSBPOHDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111302
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-9185995593,EMOLS-id_331018656	373.211	GEMHBDXFALDRPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111303
C1Cc2c(C1)sc(c2)CNc1c(c(=O)[nH]cn1)I	PC-id_136974583	373.213	XMYWUJFLIGWQKJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-111304
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3)C(=NOC4CCCC4N)N)F	PC-id_154011392	373.215	OZJUHWVSJACSSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111305
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3)C(=NOC4CCC(C4)N)N)F	PC-id_154011401	373.215	PKPWIYPWFHLWQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111306
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3)C(=NOC4CCNCC4)N)F	PC-id_154011381	373.215	ACJHWRNJYJFTBZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111307
Brc1cc(NS(=O)(=O)c2cnc3n2CCC3)c(=O)n(c1)C	EMOLS-id_100459451	373.226	MSHVRYYTUVYDMX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111308
Cn1cc(cc(c1=O)Br)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100962228	373.226	UIVOGMKQOXKAEG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111309
Cn1cc(NS(=O)(=O)c2cnc3n2CCC3)c(=O)c(c1)Br	EMOLS-id_100474811	373.226	BMVWAYUPEHNQHC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111310
ClC1(Cl)C(C1)(C)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_85013511	373.254	OUXYRZNQDIYUHH-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-111311
ClC1(Cl)[C@@](C1)(C)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_9454527	373.254	OUXYRZNQDIYUHH-CQSZACIVSA-N	00100010100000000000000010000000000000000000000000000000	25-01-111312
ClC1(Cl)[C@](C1)(C)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_9454528	373.254	OUXYRZNQDIYUHH-AWEZNQCLSA-N	00100010100000000000000010000000000000000000000000000000	25-01-111313
NNC(c1sc2c(c1)CCC2)Cc1c(F)ccc(c1F)Br	PC-id_106271426	373.259	NKEMPQHRWJOLDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111314
Brc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_328101954	373.267	UJVCAEZSWYQXCI-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111315
Brc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_17374710,ZINC22_17076398,CoCoCo_6818488,TIMTEC603970,EMOLS-id_46455032	373.267	ZTOMACAYDAQSQK-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111316
c1(NC(=O)C=Cc2ccc(cc2)Br)sc2c(CCC2)c1C#N	PC-id_72176377,MCULE-2193714866	373.267	ZTOMACAYDAQSQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111317
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1cccc(Br)c1	MCULE-6634596596	373.267	UJVCAEZSWYQXCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111318
N#Cc1c(NC(=O)/C=Cc2ccc(cc2)Br)sc2c1CCC2	CoCoCo_6818489	373.267	ZTOMACAYDAQSQK-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111319
CSc1nn2c(n1)N=S=C2N(/N=Cc1c(Cl)cccc1Cl)C	PC-id_101031887	373.284	VQSXJUYFRITVPW-UUASQNMZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-111320
FC(F)(F)Oc1ccc(COCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_50913481,SCHEMBL1228659	373.284	GOANHVTUFFCYDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111321
Brc1c(cc(S(=O)(=O)Nc2sc3CCCc3n2)cc1)C	PC-id_60682867	373.289	LJEXLMHRYFUBKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111322
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c(cc1)C	PC-id_60682891	373.289	JSJCAWZIZOPCRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111323
Brc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)cnc1	PC-id_61794973	373.289	BFEDRMFNOQLFIQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111324
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)ccc(c1)C	PC-id_60732384	373.289	QQCQKKBEGVOTCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111325
BrCc1ccc(S(=O)(=O)Nc2sc3CCCc3n2)cc1	PC-id_65480636	373.289	JQXMQLCOXXLJJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111326
OC(=O)C1CCc2c1nc(s2)N(Cc1csc(c1)Br)C	PC-id_104288402	373.289	ZDTNIYCXDCSYJR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-111327
OC(=O)C1CCc2c1nc(s2)N(Cc1scc(c1)Br)C	PC-id_104288189	373.289	GYYPZCUEYSWFKD-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-111328
OC(=O)C1CCc2c1nc(s2)NCCc1ccc(s1)Br	PC-id_106044730	373.289	SGJOTQUSRZHJPI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-111329
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)OC(C)(C)C)CC(F)(F)F	MCULE-7494371518,EMOLS-id_324349794	373.294	XFHCIXCINJAFTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111330
c12ncnn1C(C(=O)N2)CC(=O)Nc1cc(cc(C(=O)OC)c1)C(=O)OC	STOCK6S-73582,EMOLS-id_24583686,MCULE-5624198291,PC-id_135629419	373.32	FDUHQLJIELMNBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111331
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)Nc3ncnn23)cc(C(=O)OC)c1	PC-id_135950501,ZINC22_20744515	373.32	FDUHQLJIELMNBN-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111332
COC(=O)c1cc(NC(=O)C[C@H]2C(=O)Nc3ncnn23)cc(C(=O)OC)c1	PC-id_135950502,ZINC22_20744516	373.32	FDUHQLJIELMNBN-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-111333
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331018161,MCULE-1326767512	373.33	NDJHSKCWHYRYIP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-111334
Brc1cc(sc1)C(NCCOC)c1sc2CCCc2n1	PC-id_62542091	373.332	LBLKZBAUAUUCQF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-111335
Brc1sc(C(NCCOC)c2sc3CCCc3n2)cc1	PC-id_62542251	373.332	XUYOVSWQHUIMDX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-111336
Fc1ccc(Cc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324838128	373.352	QOPPMFFOUGCPAC-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111337
Fc1ccc(Cc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324837616	373.352	PELVCMXDKTXVNQ-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111338
Fc1ccc(Cc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1	EMOLS-id_324838645	373.352	QLPYTKCEKXGNQN-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111339
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)Cc1ccc(F)cc1	MCULE-1730448454	373.352	QOPPMFFOUGCPAC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111340
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)Cc1ccc(F)cc1	MCULE-6480507103	373.352	PELVCMXDKTXVNQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111341
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)Cc1ccc(F)cc1	MCULE-9242228562	373.352	QLPYTKCEKXGNQN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111342
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])CNC2(C)C	PC-id_69038580,SCHEMBL4424639	373.363	IFSZIWVNMOYHEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111343
COC(=O)CNC(=O)C1CCc2nnc(n12)CNC(=O)Nc1cnccc1	PC-id_134790747	373.367	AIRXLMMUAPCSHV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111344
CC[C@@H](C(=O)NCC/C=C/C(=O)OC)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_1875314070	373.37	GDWYEIXGYQNHCF-KFRNIWOLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111345
CC[C@H](C(=O)NCC/C=C/C(=O)OC)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_1875314071	373.37	GDWYEIXGYQNHCF-OXFRDRNISA-N	00000010100000000001000010000000000000000000000000000000	25-01-111346
CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)NCC/C=C/C(=O)OC	EMOLS-id_324057670,PC-id_146076920	373.37	GDWYEIXGYQNHCF-RUDMXATFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111347
CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)NCCC=CC(=O)OC	MCULE-7934059706	373.37	GDWYEIXGYQNHCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111348
COc1cc(C(=O)Nc2sc3CCCc3c2C#N)c(cc1OC)[N+](=O)[O-]	EMOLS-id_322627139,MCULE-3560219911	373.383	JUJGJTDYIOZAPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111349
n12nc(nc1sc(=Cc1ccc(cc1OC(=O)C)OC(=O)C)c2=O)CC	MCULE-4517645859	373.383	QFPGPZUYIXRYRX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111350
s1c2CCCc2c(c1NC(=O)COc1c([N+](=O)[O-])cc(OC)cc1)C#N	PC-id_8176728	373.383	ZATMWEUDBSDTGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111351
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1occc1)C#N	PC-id_7879750	373.383	ZUECQMDBFNIGIF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-111352
s1c2CCCc2cc1C(=O)OCC(=O)NCc1ccc(cc1)C(=O)OC	PC-id_7238954	373.423	MWLBFBGKGHHVMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111432
c1(NC(=O)COc2nonc2C(=O)NCC=C)sc2CCCc2c1C#N	MCULE-6089624818,EMOLS-id_333716539	373.386	OXTRZWJXKYSGQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111353
c1(CNS(=O)(=O)Cc2ccc(cc2)C(F)(F)F)c2CCCc2nn1C	EMOLS-id_53884721,MCULE-7409355449,ZINC22_225819203,PC-id_91819426	373.393	OZMRIHHFHXFGDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111354
CCCCc1coc(c1)C(=O)c1ccc2n1CCC2(C(=O)OC)C(=O)OC	SCHEMBL9792315,PC-id_20073581	373.4	RXZRDXBPHNQSLV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-111355
CCNC(=NCc1nnc2n1CCC2)NCc1scc(n1)C(F)(F)F	PC-id_111615058	373.4	FBVWQFALMFWYSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111356
CN=C(NCc1nnc2n1CCC2)NCCc1scc(n1)C(F)(F)F	PC-id_111687542	373.4	AUCNCBLONXFNBC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111357
O=C1CNCC(=O)C(N1)(CN1Cc2c(C1=O)scc2)c1ccc(cc1)F	SCHEMBL18699760	373.401	GEILSLKCGXRWBN-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-111358
s1c2CCCc2cc1C(=O)NN=Cc1c(c(OC)c(OC)cc1)C(=O)[O-]	PC-id_84889478	373.403	UGYFYWOCKNCFHE-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-111359
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1ccccc1	PC-id_27520378	373.403	USTWKKTUXCRUPB-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-111360
c1(NC(=O)CCc2onc(c3ccccc3F)n2)n(C)nc2CSCc12	EMOLS-id_316207601,MCULE-4119710304,ZINC22_1529181251,PC-id_134710583	373.405	QJWGJKKMXVAFNE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111361
Fc1ccc(cc1)N1N=C(CC1C(=O)N)C(=O)Nc1sc2c(n1)CCC2	MCULE-6452197475,EMOLS-id_24072994,PC-id_42950329	373.405	XNFKGQDQXZRYCY-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111362
n12CCC(C(=O)Nc3ccccc3C(=O)N)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548288,MCULE-9634931023,PC-id_46861295	373.405	ZPIHTLSNEPOOGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111363
n12CCC(C(=O)Nc3ccc(cc3)C(=O)N)c1ccc2C(=O)c1ccccc1	PC-id_46861296,EMOLS-id_31548290,MCULE-2726583134	373.405	UJLDPQZGXWTIPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111364
NC(=O)c1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340440,ZINC22_51364489	373.405	ZPIHTLSNEPOOGQ-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111365
NC(=O)c1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364490,PC-id_52340441	373.405	ZPIHTLSNEPOOGQ-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111366
NC(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340443,ZINC22_51364492	373.405	UJLDPQZGXWTIPE-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111367
NC(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364491,PC-id_52340442	373.405	UJLDPQZGXWTIPE-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111368
NC(=O)[C@@H]1CC(=NN1c1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCC2	PC-id_37833290,ZINC22_30692147,CoCoCo_4745513	373.405	XNFKGQDQXZRYCY-ZDUSSCGKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111369
NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCC2	PC-id_37833298,ZINC22_30692155,CoCoCo_4745512	373.405	XNFKGQDQXZRYCY-CYBMUJFWSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111370
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)Cc1c(C)noc1C	MCULE-5357797809,EMOLS-id_207863055	373.406	ZADGBQZEVFWSJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111371
c12NC(=O)C(CC(=O)Nc3ccc(cc3C)C)n1nc(COCCOC)n2	PC-id_135635950,MCULE-8950267318,STOCK6S-47117,EMOLS-id_17100597	373.406	WTTWPRBWYLGYAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111372
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2ccc(nc2OC)OC)n1	MCULE-8280147620,EMOLS-id_316326718	373.406	VUGDZOHQCBVYQU-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-111373
CC1(COc2ccc(cc2)CN2CCNCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL3467400,PC-id_68654045	373.406	LQGIREVEDNLYAB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111374
COCc1c(C)onc1C(=O)N1Cc2c(C1)c(nn2C)C(=O)N1CCCC1	MCULE-3260470850,EMOLS-id_207863240	373.406	JCUFHPYPRSWFEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111375
COCCNC(=O)c1cnc2CCC(CNC(=O)c3ccncc3OC)n12	EMOLS-id_313762752	373.406	PXNCGBGQFONLEW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111376
COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1ccncc1OC)CC2	ZINC22_1565552209	373.406	PXNCGBGQFONLEW-GFCCVEGCSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111377
COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1ccncc1OC)CC2	ZINC22_1614935153	373.406	PXNCGBGQFONLEW-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111378
COCCOCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)cc1C)C(=O)N2	PC-id_135924986,ZINC22_13690925	373.406	WTTWPRBWYLGYAJ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111379
COCCOCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)cc1C)C(=O)N2	PC-id_135924987,ZINC22_13690926	373.406	WTTWPRBWYLGYAJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111380
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1cc(CN2CCNCC2)ccc1)C	SCHEMBL3466818,PC-id_68653824	373.406	NLMABHPLXYUPQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111381
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(c1)[N+](=O)[O-])OC(C)(C)C	SCHEMBL17872163,PC-id_121438564	373.406	XSDZXEWGNQSESQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111382
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)CCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_53980843,PC-id_53980843	373.406	JYDJLEOOLSEWIB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111383
Fc1ccc(cc1NC(=O)NCCc1nc2CCCc2s1)n1cnnn1	EMOLS-id_49654472,ZINC22_97527361,MCULE-9316311202,PC-id_74237724	373.408	OPATXHXEGDJAQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111384
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccccc2)C1)Nc1ccccc1	SCHEMBL2916440,PC-id_68439942	373.408	XJDLIMBSIUQAHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111385
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2ccccc2)C1)Nc1ccccc1	SCHEMBL2923893,PC-id_68442599	373.408	XJDLIMBSIUQAHW-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111386
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)/C=Cc1ccccc1	SCHEMBL2916432	373.408	XJDLIMBSIUQAHW-QXMHVHEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111387
c12CN(Cc1nn(CC1CCCC1)c2C(=O)OC(C)(C)C)CC(F)(F)F	EMOLS-id_324348514,MCULE-9389023303	373.413	IXJFJEAAVDGBFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111388
Cc1nn2c(n1)C(=NNc1n[nH]c(c1C#N)c1ccccc1)C(=N2)C(C)(C)C	PC-id_89092385	373.414	FKTHHFIZPBCFDF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111389
n12N=C(C(C)(C)C)C(=NNC3=NN=C(C3=C=N)c3ccccc3)c1nc(n2)C	PC-id_72243398	373.414	SWFXIUMOWXMXQC-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111390
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(c3C#N)c3ccccc3)c1nnc2C	PC-id_59247744	373.414	NQRHXRONPSHNST-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111391
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(c3[N+]#[C-])c3ccccc3)c1nc(n2)C	PC-id_59247747	373.414	SBSQGEBEMBXSBJ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111392
n12N=C(C(C)(C)C)/C(=N/Nc3n[nH]c(c3[N+]#[C-])c3ccccc3)/c1nc(n2)C	PC-id_59247795	373.414	SBSQGEBEMBXSBJ-HAHDFKILSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111393
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(c3[N+]#[C-])c3ccccc3)c1nnc2C	PC-id_59247750	373.414	PQLWPTQFACONJT-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-111394
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)CC(F)(F)F)C#N	PC-id_30956305	373.416	BAQIRNNJULOJAT-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-111395
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(C(F)(F)F)C	PC-id_109377243	373.42	TZZAIVVBBLXMPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111396
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@@H]([C@@](CO)(Cc2ccc(cc2)F)C1)O	MCULE-5682936749,ZINC22_1857737687,EMOLS-id_330497862	373.421	YSWBUSPDURBPKM-PXNSSMCTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111397
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccc1C)C(=O)OC	EMOLS-id_1132984,PC-id_2787421,STOCK2S-63926,BAS-03752706,ChEMBL-DNDi_CHEMBL6945431,MCULE-7358747503	373.423	OMTSPTHOUUAPDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111398
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)C)C(=O)OC	PC-id_19166062,MCULE-4453417086	373.423	LOCXXGCVBLNJOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111399
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cccc(C)c1)C(=O)OC	STOCK2S-59175,PC-id_2787422,EMOLS-id_1088842,TIMTEC21616,SPECS-id_AF-399/13428013,BAS-01293170,MCULE-2258108246	373.423	ZKRNMMJCELTWQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111400
c1(C(=O)OC)c2C(CCc2sc1NC(=O)Cc1ccccc1)C(=O)OC	CK1715043,SPECS-id_AF-399/13428126,ChEMBL-DNDi_CHEMBL1422610,CHEMBL1422610,STOCK2S-61697,EMOLS-id_604035,SPECS-id_AT-225/NB60165,MCULE-7167012760,PC-id_2789253,TIMTEC21663,BAS-01292100	373.423	QMSVQYZNCHDRAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111401
c1(NC(=O)c2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C(=O)OCC	ZINC22_6327571,PC-id_5167696,MCULE-8004974160,EMOLS-id_15046830,CoCoCo_5018078	373.423	LVHVRNAUWMZYFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111402
c1(NC(=O)c2ccccc2OC(=O)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1721486,ZINC22_2283835,PC-id_1906946,EMOLS-id_4408931,STOCK1S-79131,MCULE-9860002333	373.423	WMLAZASHSTYECX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111403
c1(NC(=O)c2cccc(c2)OC(=O)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_975671,PC-id_1206129,EMOLS-id_3737299,STOCK3S-16929,MCULE-4133906670	373.423	XGIJUIYHDPWBQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111404
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)O	MCULE-7334708779	373.423	LGCASWDVVJGSDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111405
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OC	SCHEMBL10818387,PC-id_70450765	373.423	LKROOMMLSNOFAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111406
C=CCS(=O)(=O)c1ccccc1C(=O)c1ccc2n1CCC2C(=O)OC	SCHEMBL11501357,PC-id_70599885	373.423	OYEPRDSSMGRUFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111407
C=CCS(=O)(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	SCHEMBL11501358,PC-id_70599886	373.423	AKZWSQWMFOIRDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111408
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)csc2)(C(=O)C)C	SCHEMBL2992462,PC-id_68469180	373.423	PSBRRTMUIIURMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111409
CCOC(=O)c1c(NC(=O)c2ccc(OC(=O)C)cc2)sc2CCCc12	EMOLS-id_327986765,MCULE-5437837528	373.423	FHAQOYPXYIVYSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111410
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)O)cc1OC	PC-id_28860324,EMOLS-id_179129565	373.423	LGCASWDVVJGSDF-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111411
COC(=O)c1c2c(CCC2)sc1NC(=O)C(c1ccccc1)OC(=O)C	PC-id_4405774,MCULE-1938135864,EMOLS-id_2943145	373.423	SAJNKAHMFSPWJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111412
COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_53835486,EMOLS-id_44520019,MCULE-3947164956,PC-id_71900642	373.423	LQWAUDFCSQEYIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111413
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)S(=O)(=O)C	SCHEMBL10813353,PC-id_20235078	373.423	TXWILFBWGUULTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111414
COC(=O)c1c(NC(=O)c2ccccc2C)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_306214,ZINC22_715931,PC-id_1042907	373.423	OMTSPTHOUUAPDF-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111415
COC(=O)c1c(NC(=O)c2ccccc2C)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_715933,PC-id_1042909,CoCoCo_306213	373.423	OMTSPTHOUUAPDF-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111416
COC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_187638,ZINC22_729910,PC-id_1051221	373.423	ZKRNMMJCELTWQT-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111417
COC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_729911,CoCoCo_187637,PC-id_1051222	373.423	ZKRNMMJCELTWQT-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111418
COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_622565,CoCoCo_187512,PC-id_978682	373.423	QMSVQYZNCHDRAP-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111419
COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_622567,CoCoCo_187511,PC-id_978683	373.423	QMSVQYZNCHDRAP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111420
COC(=O)c1c(NC(=O)CC(c2ccccc2)C(=O)O)sc2c1CCC2	EMOLS-id_36992994,PC-id_17458509,MCULE-7692860477	373.423	RKRDSEIHTLINPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111421
COC(=O)c1c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)sc2c1CCC2	ZINC22_13249705	373.423	RKRDSEIHTLINPJ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111422
COC(=O)c1c(NC(=O)C[C@H](C(=O)O)c2ccccc2)sc2c1CCC2	ZINC22_13249707	373.423	RKRDSEIHTLINPJ-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111423
COC(=O)c1c(NC(=O)[C@H](OC(=O)C)c2ccccc2)sc2c1CCC2	CoCoCo_3745670,ZINC22_4194462,PC-id_7126075	373.423	SAJNKAHMFSPWJI-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111424
COC(=O)c1c(NC(=O)[C@@H](OC(=O)C)c2ccccc2)sc2c1CCC2	PC-id_7126074,ZINC22_4194461,CoCoCo_3745671	373.423	SAJNKAHMFSPWJI-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111425
COC(=O)c1c(NC(=O)COc2cccc(C(=O)C)c2)sc2c1CCC2	CoCoCo_3125039,EMOLS-id_11922191,ZINC22_9690281,PC-id_17407131,MCULE-5185431032	373.423	HVUPPLHUKLLDLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111426
COC(=O)c1c(NC(=O)COc2ccc(C(=O)C)cc2)sc2c1CCC2	ZINC22_9949926,CoCoCo_3029866,MCULE-4470552266,EMOLS-id_11864676,PC-id_16389681	373.423	MBTMXZRSXLOSEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111427
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CC1)S(=O)(=O)C	SCHEMBL10817614,PC-id_20235089	373.423	GXAXTPDBKABQGG-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-111428
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(ccc(c1)C(=O)OC)C	PC-id_7238758	373.423	KWPKOLSSTKNDSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111429
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_7238957	373.423	PMKSUBJMHZHTEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111430
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C(=O)OCC	PC-id_7238966	373.423	DGBSAPZMBWIUIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111431
s1c2CCCc2c(c1N=Cc1cc(OC)c(OC(=O)C)cc1)C(=O)OC	PC-id_23960703	373.423	GDJISNOTPNGGOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111433
s1c2c(CCC2)c(c1NC(=O)c1cc(ccc1)C(=O)OC)C(=O)OCC	PC-id_17175199	373.423	XSZIPQUNURZXNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111434
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C=O)C(=O)OCC	PC-id_26217952	373.423	LLSGDXMMZOZVPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111435
s1c2c(CCC2)c(c1NC(=O)COc1c(cccc1)C=O)C(=O)OCC	PC-id_7762628	373.423	DKYZDBPHCNIDDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111436
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C)C(=O)OC	PC-id_16521463	373.423	LBWZHLCIDLLAON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111437
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cccc1)C)C(=O)OC	PC-id_16522800	373.423	IVQDHSPJUKMBAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111438
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(ccc1)C)C(=O)OC	PC-id_16527920	373.423	SQUSLVKYXZJGMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111439
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccccc1)C(=O)OCC	PC-id_2516772	373.423	AJVHUCYIFOBMNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111440
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccccc1)C(=O)OC	PC-id_24364177	373.423	BRQDAJHXFZHOFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111441
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(=O)C)n(C)nc2CSCc12	MCULE-1884340027	373.426	SCHLDJRQLRNEGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111442
c1(NC(=O)COc2cn(c(cc2=O)C)CCO)sc2CCCc2c1C#N	EMOLS-id_331629765,MCULE-5952719587	373.426	KRNKCKWXDYGXAJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111443
c1(NC(=O)C(=O)NCc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	EMOLS-id_4763685,MCULE-8569738813,STOCK6S-25239,PC-id_17587880,ZINC22_9305405	373.426	GOBKHDJLMXEOGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111444
c1(NC(=O)C(=O)NCc2ccccc2OC)sc2c(CCC2)c1C(=O)N	PC-id_17587862,STOCK6S-25160,MCULE-8358465384,EMOLS-id_4763563,ZINC22_9305309	373.426	RLZMSNGONOIXLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111445
c1(NC(=O)C(=O)NCc2cccnc2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6533781,PC-id_17583958,MCULE-7685983380,ZINC22_6672091,STOCK6S-11777,EMOLS-id_4742255	373.426	CRDBFDHZQZLLHI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111446
c1(NC(=O)C(=O)NCc2ccncc2)sc2c(CCC2)c1C(=O)OCC	ZINC22_6671678,EMOLS-id_4740056,MCULE-2548762342,PC-id_17583451,STOCK6S-10288	373.426	CDCZOSNJZTZBCW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111447
c1(NC(=O)C(=O)NCC(O)c2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-8759692179,PC-id_16426254,STOCK6S-20990,EMOLS-id_4756766	373.426	PBVBAYNVESPGDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111448
c1(NC(=O)NN=Cc2ccccc2O)sc2c(CCC2)c1C(=O)OCC	MCULE-2502882345,PC-id_135604116	373.426	FFHKDMXTBGYFOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111449
c1(NC(=O)NN=Cc2ccc(cc2)O)sc2c(CCC2)c1C(=O)OCC	PC-id_135726431,MCULE-4159729808	373.426	OZLDSNDSSJXICH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111450
c1(OC)ncc(cn1)C=CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4631148494	373.426	XIRDPOBWPGCZTE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-111451
CCOC(=O)c1c(NC(=O)/C=C/c2cnc(OC)nc2)sc2CCCc12	EMOLS-id_328105177	373.426	XIRDPOBWPGCZTE-BQYQJAHWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-111452
CCOC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-7467931189,EMOLS-id_43959655,PC-id_27684752,CoCoCo_4086495	373.426	VSKVIBJVFGEEHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111453
COc1ccccc1C=NOCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_3666775,MCULE-4081619583,EMOLS-id_317282290	373.426	VLYCLOUNTBNQSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111454
COc1cc(/C=C/C(=O)Nc2c3CSCc3nn2C)ccc1OC(=O)C	EMOLS-id_334564026	373.426	SCHLDJRQLRNEGH-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111455
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)CCC	MCULE-4415092098	373.426	VWTCSVPATWFSRN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111456
NC(=O)c1c(NC(=O)C(=O)NC[C@@H](O)c2ccccc2)sc2c1CCC2	ZINC22_13624220,PC-id_25823215	373.426	PBVBAYNVESPGDJ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111457
NC(=O)c1c(NC(=O)C(=O)NC[C@H](O)c2ccccc2)sc2c1CCC2	ZINC22_13624222,PC-id_25823217	373.426	PBVBAYNVESPGDJ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111458
O=C(C1CN(C(=O)C1)Cc1ccco1)Nc1sc2c(c1C(=O)N)CCC2	PC-id_16390172,EMOLS-id_11865914,MCULE-5751998724	373.426	WKZPLUXCBHRFRF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-111459
O=C([C@H]1CN(C(=O)C1)Cc1ccco1)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218555,PC-id_25387340	373.426	WKZPLUXCBHRFRF-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-111460
O=C([C@@H]1CN(C(=O)C1)Cc1ccco1)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25387339,CoCoCo_3218556	373.426	WKZPLUXCBHRFRF-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-111461
s1c2CCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)Cc1occc1	PC-id_51186054	373.426	USRJLAPSEYOSID-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-111462
s1c2CCCc2cc1C(=O)NNC(=O)CNC(=O)COc1ccccc1	PC-id_27684899	373.426	NGZMYWWFDAZSBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111463
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N)c(ccc1)C)C(=O)N	PC-id_27953403	373.426	KPLYZPGWYVMFMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111464
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC)cccc1)C(=O)N	PC-id_7631071	373.426	SKSRURFOTHDMBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111465
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(onc1C)C(C)C)C#N	PC-id_8507355	373.426	ASBYVVGEGNBTAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111466
s1c2CCCc2c(c1NC(=O)COC(=O)CCc1c(onc1C)C)C#N	PC-id_8265032	373.426	XCANDOXPKQFNOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111467
s1c2c(CCC2)c(c1NC(=O)CO/N=C/c1c(OC)cccc1)C(=O)N	PC-id_9630280	373.426	VLYCLOUNTBNQSQ-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111468
s1c2c(CCC2)c(c1NC(=O)NN/C=C
/C=CC(=O)C=C1)C(=O)OCC	PC-id_19165378	373.426	DRRIVFGBEUFRQZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-111469
s1c2c(CCC2)c(c1NC(=O)NN/C=C/1C(=O)C=CC=C1)C(=O)OCC	PC-id_19168810	373.426	PDXZCRPCSOAVGU-KHPPLWFESA-N	00000010100011000000000010000000000000000000000000000000	25-01-111470
s1c2c(CCC2)c(c1NC(=O)NNC=C1C(=O)C=CC=C1)C(=O)OCC	PC-id_73549958	373.426	PDXZCRPCSOAVGU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-111471
CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)c2n[nH]c3c2CCC3)n1	EMOLS-id_316017338,MCULE-2380990851,ZINC22_548349914	373.428	SUSLDAJGEZHWCZ-RYUDHWBXSA-N	00000010100000100001100010000000000000000000000000000000	25-01-111472
c12sc(NC(=O)CCCn3c(C)c(N(=O)=O)c(C)n3)c(C#N)c1CCC2	TIMTEC330266,PC-id_2980490,EMOLS-id_2517415,MCULE-8912945861,ChEMBL-DNDi_CHEMBL1596623,CoCoCo_569159,ZINC22_4148005	373.429	NFYSMBFHGLLEEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111473
C1CC1C(=O)Nc1nc2c(s1)C(NN2)NC(=O)COCc1ccccc1	PC-id_89358877,SCHEMBL14531123	373.429	IQFVIHMHSWKKCH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-111474
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCCC2)n(C)nc2CSCc12	EMOLS-id_334567344,MCULE-1662556441	373.429	FVHTYKCWJLGICR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111475
n1c2CCCc2sc1CCNC(=O)N(Cc1cocn1)Cc1cocn1	EMOLS-id_177499306,ZINC22_584902524,MCULE-5856214355	373.429	PPTSZVQHDWRHAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111476
Cc1nc(C)nc(c1)n1nc(cc1NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97700015	373.433	BKSJIZYLGQTTHE-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-111477
Fc1ccc(c(c1)F)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109942	373.44	NYBQQKCKFBPTRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111478
c1(c2CCCc2sc1NC(=O)C=Cc1ccc(cc1)F)C(=O)OC(C)C	MCULE-8004241561,PC-id_1017779	373.441	KQCLKNROCRNTHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111479
CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCC2	TIMTEC269426,PC-id_1017780,CoCoCo_5828115,SPECS-id_AK-968/15608607,EMOLS-id_25982323,ZINC22_679887	373.441	KQCLKNROCRNTHL-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111480
CC(OC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)F)sc2c1CCC2)C	CoCoCo_5828116	373.441	KQCLKNROCRNTHL-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111481
CN1CCN(C(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)CC1	PC-id_97442332,ZINC22_96146805	373.444	MVFDNFFWYJXIQY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111482
Fc1cccc(c1)N1CC(CC1=O)C(=O)NCCc1nc2CCCc2s1	PC-id_91776020,MCULE-2139952648,EMOLS-id_55648146	373.444	BEVDJIDXFDXNLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111483
Fc1ccc(CN2C(=O)[C@@](O)(CCC2)C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42197378	373.444	VRCIASZBAFMZJF-HXUWFJFHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-111484
Fc1ccc(CN2C(=O)[C@](O)(CCC2)C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42197380	373.444	VRCIASZBAFMZJF-FQEVSTJZSA-O	00000010100010110001000010000000000000000000000000000000	25-01-111485
Fc1ccc(CN2C(=O)C(O)(CCC2)C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_74778809	373.444	VRCIASZBAFMZJF-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-111486
O=C(Nc1ccc(cc1)F)NC1CCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_97940959	373.444	NDRKBTMKSBYXCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111487
O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2cccc(F)c2)C1	PC-id_100052064,ZINC22_220073564	373.444	BEVDJIDXFDXNLE-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111488
O=C(NCCc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2cccc(F)c2)C1	PC-id_100052066,ZINC22_220073617	373.444	BEVDJIDXFDXNLE-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111489
s1c2CCCc2c(c1NC(=O)CN(Cc1cc(F)c(OC)cc1)C)C#N	PC-id_9432006	373.444	CSDBSPOSYZXKHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111490
s1c2CCCc2nc1NC(=O)C1CCCN(C1)C(=O)c1ccc(F)cc1	PC-id_51272823	373.444	FVUBQGCZUCKXOB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111491
s1c2CCCc2nc1NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1	PC-id_26723280	373.444	XFFSAHCRFOZDEU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111492
s1c2CCCc2nc1NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1	PC-id_33040671	373.444	FVUBQGCZUCKXOB-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111493
s1c2CCCc2nc1NC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1	PC-id_33040673	373.444	FVUBQGCZUCKXOB-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111494
s1c2CCC(C(=O)N3CCCCC3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947179	373.444	YACOGHMSSZYDQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111495
s1c2CCC(C(=O)NC3CCCC3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947207	373.444	GGXYOBIWDARCBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111496
CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1c2CCCc2nn1C	ZINC22_23135681,MCULE-6041104701,CoCoCo_5273018,EMOLS-id_24910406,PC-id_30859119	373.446	AQQXFGWJJIFROI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111497
s1c2c(CCC2)c(c1NC(=O)C[n+]1cc(ccc1)C(=O)C)C(=O)OCC	PC-id_8830275	373.446	JSACORNMJDRXHJ-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-111498
s1c2c(c(C(=O)NC3CC3)c1NC(=O)C1C(CC=CC1)C(=O)[O-])CCC2	PC-id_74533679	373.446	ZAQVOIXDPXEAFA-UHFFFAOYSA-M	00100010100011000000000010000000000000000000000000000000	25-01-111499
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])CCC2	PC-id_27520411	373.446	ZAQVOIXDPXEAFA-NWDGAFQWSA-M	00100010100011000000000010000000000000000000000000000000	25-01-111500
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])CCC2	PC-id_27520413	373.446	ZAQVOIXDPXEAFA-RYUDHWBXSA-M	00100010100011000000000010000000000000000000000000000000	25-01-111501
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])CCC2	PC-id_27520415	373.446	ZAQVOIXDPXEAFA-VXGBXAGGSA-M	00100010100011000000000010000000000000000000000000000000	25-01-111502
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])CCC2	PC-id_27520417	373.446	ZAQVOIXDPXEAFA-NEPJUHHUSA-M	00100010100011000000000010000000000000000000000000000000	25-01-111503
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CN(C1)S(=O)(=O)C	PC-id_90513232	373.448	ZHICRCGDNXHBNZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-111504
CC(=O)Nc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328219763,MCULE-6855541284	373.448	SJLCXYGLYMMBCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111505
CC(=O)Nc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328217201,MCULE-1377012281	373.448	YAEFUYZGGCTNHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111506
CN(C)c1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	MCULE-8842649714,EMOLS-id_31548268,PC-id_46861285	373.448	FFPAXTRQUWKDTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111507
CN(C)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340420,ZINC22_51364469	373.448	FFPAXTRQUWKDTJ-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111508
CN(C)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340421,ZINC22_51364470	373.448	FFPAXTRQUWKDTJ-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-111509
O=C(Nc1n[nH]c2C(CCc12)C)Cc1ccc(cc1)c1cc(ccc1)C(=O)C	PC-id_10067955	373.448	PUJATFGTDWHVAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111510
c1(C(=O)N2CCCN(CC2)C(=O)C2CC(=NO2)C(C)C)c2CCCc2[nH]n1	MCULE-7673306114,PC-id_134711536,EMOLS-id_316227850	373.449	YQYSXOLNCXZJAR-UHFFFAOYSA-N	00000011100000000101000010000000000000000000000000000000	25-01-111511
c1(NC(=O)NCC(N2CCOCC2)c2ccc(C)o2)n(C)nc2CCCc12	MCULE-2041972984,PC-id_72889522,EMOLS-id_49160518	373.449	QGNQMCFBSZGISZ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-111512
Cc1ccc([C@@H](CNC(=O)Nc2c3c(nn2C)CCC3)N2CCOCC2)o1	ZINC22_96150033,PC-id_97444326	373.449	QGNQMCFBSZGISZ-MRXNPFEDSA-N	00000010101010000001000010000000000000000000000000000000	25-01-111513
Cc1ccc([C@H](CNC(=O)Nc2c3c(nn2C)CCC3)N2CCOCC2)o1	ZINC22_96150034,PC-id_97444327	373.449	QGNQMCFBSZGISZ-INIZCTEOSA-N	00000010101010000001000010000000000000000000000000000000	25-01-111514
CC(C)C1=NO[C@H](C(=O)N2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1	ZINC22_1529186422	373.449	YQYSXOLNCXZJAR-INIZCTEOSA-N	00000011100000000101000010000000000000000000000000000000	25-01-111515
CC(C)C1=NO[C@@H](C(=O)N2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1	ZINC22_1529186423	373.449	YQYSXOLNCXZJAR-MRXNPFEDSA-N	00000011100000000101000010000000000000000000000000000000	25-01-111516
O(c1c(OCCC)ccc(NC(=O)NCc2n3CCCc3nn2)c1)CCC	PC-id_55695562	373.449	INGGTWAEHOYJOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111517
s1c2CCCc2cc1C(=O)Nc1scc(n1)c1cc([nH]c1)C(=O)OC	PC-id_78846046	373.449	BWLSTJTUECZGLQ-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-111518
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(SC)nccc1)C#N	PC-id_8765113	373.449	MEPQKRPUSKDPOG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111519
c1(NC(=O)Cn2c(=O)ccc(c3cccs3)n2)n(C)nc2CSCc12	ZINC22_61718159,STOCK7S-12276,PC-id_52898269,MCULE-8880110650,EMOLS-id_35783779	373.453	RQIROQQAZDOSKI-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-111520
c1(cccc(C(C)C)c1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328151114,MCULE-7298279616	373.466	RQVUGAXDWXIYMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111521
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2389713,CoCoCo_6782629,PC-id_2887295,ZINC22_5094764,TIMTEC75343,MCULE-8347710188	373.466	BHSLHJHAPBDCSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111522
c1(NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_3511292,CoCoCo_4975956,EMOLS-id_5430859,MCULE-3186535235,ZINC22_4079551	373.466	TUAPJNQRHAGXEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111523
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)OCCC	EMOLS-id_4050998,ZINC22_2752689,CoCoCo_6790014,PC-id_3843413,TIMTEC282389,MCULE-1470604156	373.466	LEODZPVQRACOCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111524
c1(NC(=O)CCc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OC	MCULE-9743620062,PC-id_19226023	373.466	LRWVHVKVAIFRDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111525
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	ZINC22_6047361,PC-id_4375694,MCULE-3528388741,EMOLS-id_5386264	373.466	HBNPHUGGAIORNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111526
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	MCULE-4457418154,PC-id_19173486	373.466	PXUPSQPTRPSKEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111527
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C(=O)OC	PC-id_1564297,STOCK3S-04780,CoCoCo_810679,ZINC22_1772511,MCULE-4965998738,EMOLS-id_2166740,ChEMBL-DNDi_CHEMBL6642366,CHEMBL1436847	373.466	IJTVNMXPJRQXHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111528
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_748582,MCULE-5152534614,PC-id_2789924,EMOLS-id_1861683,ZINC22_4039887	373.466	PRVXPBHQFXRXSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111529
c1(NC(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_1866114,ZINC22_1773765,PC-id_1565250,CoCoCo_839395,MCULE-6707524131,CHEMBL1513724	373.466	XIGSYLHNIKJBJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111530
c1(NC(=O)C(C)Oc2cccc(C)c2C)sc2c(CCC2)c1C(=O)OC	MCULE-9757335613,TIMTEC226789,EMOLS-id_2208355,PC-id_2937311	373.466	IUVAEWSQLBOFDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111531
c1(NC(=O)COc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OC	SPECS-id_AT-225/NB59647,EMOLS-id_603021,TIMTEC535782,ChEMBL-DNDi_CHEMBL2798-1113,CoCoCo_1708531,SPECS-id_AF-399/13428279,MCULE-2927624206,ZINC22_622228,PC-id_978443	373.466	WVNDQQXIUVZAGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111532
c1(NC(=O)COc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)OC	TIMTEC319937,ZINC22_4691515,SPECS-id_AT-084/J169468,SPECS-id_AN-153/I193563,CoCoCo_6049887,EMOLS-id_3763236,MCULE-2674840994,PC-id_4016388	373.466	MUOMEMSNIIZDHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111533
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_328013507,MCULE-6703746815,PC-id_1656689	373.466	KZHIFKVUPKFGRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111534
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_1672614,MCULE-1654281824,EMOLS-id_327806444	373.466	HTFUBOYUHZCFKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111535
c1(NC(=O)COc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)OCC	ZINC22_1749354,PC-id_1555739,ChEMBL-DNDi_CHEMBL1683-0632,EMOLS-id_1088682,MCULE-9724415575,CoCoCo_1673910	373.466	PZIDEOINHPXGNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111536
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1720368,PC-id_978686,TIMTEC90496,ZINC22_622572,EMOLS-id_604041,SPECS-id_AT-225/NB60168,MCULE-9155775275	373.466	BYORKGSTWIAXER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111537
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_327839688,MCULE-1358640379,PC-id_4930988	373.466	GSDDVXUROVMVQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111538
c1(NC(=O)COc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)OCC	PC-id_1591004,ChEMBL-DNDi_CHEMBL7585631,MCULE-3544130495,EMOLS-id_1854357,ZINC22_1807392,CoCoCo_945363	373.466	PNLBRVIOCPQWTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111539
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)OCC	TIMTEC338779,EMOLS-id_662709,CoCoCo_1720740,ZINC22_636741,PC-id_987699,MCULE-2300908484	373.466	NPQSTFUMAINAOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111540
c1(NC(=O)COc2cccc(C)c2)sc2c(CCC2)c1C(=O)OCCC	SPECS-id_AK-968/40726595,ZINC22_2103069,MCULE-2331009583,PC-id_1758277,CoCoCo_6786799,TIMTEC352841,EMOLS-id_4050990	373.466	OFGSFQFAKQBGMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111541
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C(=O)OC	MCULE-1727881666,PC-id_1690305	373.466	NJBANVBXWULBQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111542
c1(NC(=O)COc2cc(C)cc(C)c2C)sc2c(CCC2)c1C(=O)OC	PC-id_1663910,MCULE-3012676008	373.466	BPYJHMIRNXXWHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111543
c1(NC(=O)COc2cccc(CC)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-8724552771,PC-id_1643806,CoCoCo_937722,ZINC22_1912825,EMOLS-id_1876739	373.466	WEUFOSGHJOTLAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111544
c1(NC(=O)COc2cccc(C(C)C)c2)sc2c(CCC2)c1C(=O)OC	PC-id_19175957,MCULE-5966514762	373.466	VPWLNJUAILHIOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111545
CCCc1ccc(cc1)C(=O)c1c(cc2n1CCC2C(=O)OC)S(=O)C	SCHEMBL10812122,PC-id_20235119	373.466	QKSPBDXYHKDEGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111546
CCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C	PC-id_23333109,SCHEMBL11443497	373.466	MEURBZLHXJJWCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111547
CCCCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C	PC-id_70587167,SCHEMBL11443499	373.466	NIHJAJJDHGEKDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111548
CCCCS(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_23333132,SCHEMBL11444484	373.466	RGTQFSFNKOPPOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111549
CCCCS(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	SCHEMBL11444486,PC-id_70587402	373.466	VNGYGSDFTKHDFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111550
CC(COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C)C	PC-id_70585699,SCHEMBL11436233	373.466	DLLLDPGQXJNINM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111551
CC(COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C)C	SCHEMBL11436229,PC-id_23333043	373.466	FPQCNEPJCWTQLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111552
CCOc1ccc(cc1)CC(C(=O)O)CNC(=O)c1sc2c(c1)CCC2	MCULE-8182554661,EMOLS-id_52218507,PC-id_119231965	373.466	ZLINJSOMPNOVBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111553
CCOC(=O)c1c(NC(=O)Cc2ccc(OCC)cc2)sc2CCCc12	EMOLS-id_327888492,PC-id_8719651,MCULE-4207636865	373.466	ROUKQDIAXYHVGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111554
CCOC(=O)c1c(NC(=O)CCc2ccccc2OC)sc2CCCc12	MCULE-2082308796,EMOLS-id_327901186	373.466	KGCIQIOCFWQGGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111555
CCOC(=O)c1c(NC(=O)CCc2cccc(OC)c2)sc2CCCc12	EMOLS-id_327906055,MCULE-5124230687	373.466	RLVNBOGSDKROIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111556
CCOC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1CCC2	PC-id_4510674,CoCoCo_6461094,ZINC22_6656006,EMOLS-id_8908714	373.466	YEFRIMMKIWQWTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111557
COc1cccc(c1)C(=O)c1c(NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_331231847	373.466	DIYILFKWCWAAMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111558
COc1ccc(cc1)C(=O)c1c(NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_331232359	373.466	RROOXZNLZTYHAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111559
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)OC(C)C)SC	PC-id_14570935,SCHEMBL10812848	373.466	GOHQFROMSHTQKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111560
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)CC(C)C	PC-id_23333128,SCHEMBL11443438	373.466	VOZFXQPWKHTEOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111561
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)CC(C)C	PC-id_70585696,SCHEMBL11436217	373.466	LLMKXJBRNVBLKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111562
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C(C)(C)C	PC-id_70587188,SCHEMBL11443556	373.466	NEJSAADGTSIHMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111563
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)CC(C)C	SCHEMBL11443434,PC-id_23333135	373.466	JSIFEPVZSJQVBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111564
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C(C)(C)C	SCHEMBL11443555,PC-id_23333096	373.466	FJMOYYKJKWGFOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111565
COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(C)c2C)sc2c1CCC2	ZINC22_1124996,CoCoCo_920293,PC-id_1301121	373.466	IUVAEWSQLBOFDF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111566
COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(C)c2C)sc2c1CCC2	ZINC22_1124997,CoCoCo_920292,PC-id_1301120	373.466	IUVAEWSQLBOFDF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111567
CSc1cc2n(c1C(=O)c1ccc(cc1)OC(C)C)CCC2(C)C(=O)O	SCHEMBL10817168,PC-id_70450373	373.466	RHLBMNPYTNYXLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111568
O=C(C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)C)OC(C)(C)C	PC-id_70587394,SCHEMBL11444460	373.466	DQENFSHNVXVHCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111569
O=C(C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)C)OC(C)(C)C	SCHEMBL11444459,PC-id_23333068	373.466	ITSSOSJEXXPVIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111570
s1c2c(CCC2)c(c1NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]	PC-id_6960679	376.448	XURMCMFXDBAMAT-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-113115
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1ccc(OCC)cc1)C	PC-id_7291962	373.466	MRXIFTGCVOQLOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111571
s1c2CCCc2cc1C(=O)OC(C(=O)NCCc1ccc(OC)cc1)C	PC-id_78674832	373.466	JVQXKTRSWLLNJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111572
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCCc1ccc(OC)cc1)C	PC-id_8359150	373.466	JVQXKTRSWLLNJT-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111573
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCCc1ccc(OC)cc1)C	PC-id_8359153	373.466	JVQXKTRSWLLNJT-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111574
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCC)cc1)C(=O)OCC	PC-id_4938395	373.466	GULPIEQYSAZDKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111575
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC(CC)C)cc1)C(=O)OC	PC-id_17141221	373.466	UAZAAHGUVVJNFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111576
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCCC)cc1)C(=O)OC	PC-id_4658614	373.466	UDMBDSDUUWDLEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111577
s1c2c(CCC2)c(c1NC(=O)c1cc(OC(C)C)ccc1)C(=O)OCC	PC-id_17142405	373.466	YMRLBZAXNILSDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111578
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCC)ccc1)C(=O)OCC	PC-id_4960037	373.466	UEPPOLMZTZYLSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111579
s1c2c(CCC2)c(c1NC(=O)c1cc(OCC(C)C)ccc1)C(=O)OC	PC-id_17140280	373.466	FQVPPAHTNSWJAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111580
s1c2c(CCC2)c(c1NC(=O)c1cc(OC(CC)C)ccc1)C(=O)OC	PC-id_17149719	373.466	ALHHKPKGOLSAIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111581
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCCC)ccc1)C(=O)OC	PC-id_4956509	373.466	LIQGNYFZRKWQRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111582
s1c2c(CCC2)c(c1NC(=O)c1c(OC(C)C)cccc1)C(=O)OCC	PC-id_17045523	373.466	DAJXMVGXAWLMPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111583
s1c2c(CCC2)c(c1NC(=O)c1c(OCCC)cccc1)C(=O)OCC	PC-id_4947843	373.466	DLIQVBMUZWGJSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111584
s1c2c(CCC2)c(c1NC(=O)c1c(OCCCC)cccc1)C(=O)OC	PC-id_4940934	373.466	GHGIFJSBXZSEGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111585
s1c2c(CCC2)c(c1NC(=O)c1c(OCC(C)C)cccc1)C(=O)OC	PC-id_4945356	373.466	ZVAGRVGCSWBERW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111586
s1c2c(CCC2)c(c1NC(=O)Cc1cc(c(OC)cc1)C)C(=O)OCC	PC-id_16848095	373.466	CIAFJLWGACHDQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111587
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1ccc(CC)cc1)C)C(=O)OC	PC-id_9236442	373.466	RLAVAAYKIDDSLM-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111588
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1ccc(CC)cc1)C)C(=O)OC	PC-id_9236453	373.466	RLAVAAYKIDDSLM-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111589
s1c2c(CCC2)c(c1NC(=O)C(Oc1cc(ccc1)C)CC)C(=O)OC	PC-id_4928452	373.466	MQVJLZISMXICKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111590
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(cccc1)C)CC)C(=O)OC	PC-id_4931887	373.466	IKUUEZXXXMVAJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111591
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(ccc(c1)C)C)C)C(=O)OC	PC-id_4944773	373.466	HNZDVIBOONBSIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111592
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc(cc1)C)CC)C(=O)OC	PC-id_4949972	373.466	SMFXXWBGKKNQTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111593
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(cccc1C)C)C)C(=O)OC	PC-id_4958470	373.466	CDUIRHSUKTYZLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111594
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccccc1)(C)C)C(=O)OCC	PC-id_30309452	373.466	SGKNZZOYJONANO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111595
s1c2c(CCC2)c(c1NC(=O)C(Oc1cc(ccc1)C)C)C(=O)OCC	PC-id_4431939	373.466	ZSMIUWIHWKHRQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111596
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccccc1)CC)C(=O)OCC	PC-id_4449970	373.466	SRWGPWUXIAAILM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111597
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc(cc1)C)C)C(=O)OCC	PC-id_4928511	373.466	YWZFOKUBBZELKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111598
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(cccc1)C)C)C(=O)OCC	PC-id_4931540	373.466	RAMGQVXMZHWLGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111599
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc(CC)cc1)C)C(=O)OC	PC-id_4953310	373.466	RLAVAAYKIDDSLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111600
s1cc2C(N(Cc2c1)Cc1ccccc1)C(C(=O)OCC)C(=O)OCC	PC-id_10474502	373.466	OHLOMFOIKOLJKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111601
c1(c(C)cc(n(CC2CCCO2)c1=O)C)C(=O)/N=c
/sc2c(CCC2)[nH]1	STOCK7S-53060,EMOLS-id_54879857,EMOLS-id_55724524,PC-id_91821785,MCULE-4390256225	373.469	CASOAUFKRHNMJB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111602
c1(NC(=O)c2cncc(C)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6637559517,EMOLS-id_334390033	373.469	ZXSKMSHMDHNTEV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111603
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1nc2c(s1)CCC2	ZINC22_252480472	373.469	CASOAUFKRHNMJB-CYBMUJFWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111604
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1nc2c(s1)CCC2	ZINC22_252480473	373.469	CASOAUFKRHNMJB-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111605
CCCCCCCOc1ccc(cc1OC)/C=c/1sc2n(c1=O)ncn2	EMOLS-id_26302562,ZINC22_100914739,STOCK3S-35032	373.469	LLUIXFFZBCWRTG-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-111606
CCCCCCCOc1ccc(/C=c/sc3ncnn3c2=O)cc1OC	ZINC22_97946576,EMOLS-id_45963572	373.469	LLUIXFFZBCWRTG-SFQUDFHCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111607
CCCOc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1OC	EMOLS-id_324860131	373.469	AVROXXFHHOWRAQ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111608
CCCOc1ccc(/C=c/2sc3nc(CCC)nn3c2=O)cc1OCC	EMOLS-id_324849379	373.469	XHLGVHKCKNLUTP-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111609
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1OCC	EMOLS-id_324847341	373.469	BNTZSCXDCILNGI-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111610
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1OC	EMOLS-id_324849895	373.469	QOZUQAFIQSGMEC-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111611
CC(N1Cc2c(C1)cc(s2)C(=O)N1CCN(CC1)C(=O)c1ccco1)C	PC-id_53171006	373.469	XVVPNAOULCZTFS-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-111612
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)ccc1OC	EMOLS-id_324854496	373.469	KIWSCBKGSOWSQP-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111613
CCOc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1OCC	EMOLS-id_324859107	373.469	LMUUNTPXICYZQW-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111614
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1OCC	EMOLS-id_324852966	373.469	CUFFNCCFEHJLQC-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111615
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)cc1OC	EMOLS-id_324857568	373.469	HGSKWDNXXAKMIY-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111616
CCOC(=O)c1c([nH]c(c1C)/C(=N/NC(=O)c1cc2c(s1)CCC2)/C)C	PC-id_135749622	373.469	UCCDBVZWVDKILR-CIAFOILYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-111617
COc1cccc(CNC(=O)c2cc3c(s2)CCN3C(=O)CN(C)C)c1	ZINC22_96264517,PC-id_97524456	373.469	UMVPBKZLXXRHPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111618
COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1nc2c(s1)CCC2	ZINC22_1875265844	373.469	GOJJCVKNQPGNDI-DOMZBBRYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111619
COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1nc2c(s1)CCC2	ZINC22_1875265845	373.469	GOJJCVKNQPGNDI-IUODEOHRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111620
COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1nc2c(s1)CCC2	ZINC22_1875265846	373.469	GOJJCVKNQPGNDI-SWLSCSKDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111621
COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1nc2c(s1)CCC2	ZINC22_1875265847	373.469	GOJJCVKNQPGNDI-WFASDCNBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111622
CS(=O)(=O)c1cccc(C2(C(=O)N=c3cc4n([nH]3)CCC4)CCCC2)c1	ZINC22_1875301282,MCULE-1562910733,PC-id_146102358,EMOLS-id_324061011	373.469	IRRNEWWMXXCYJH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111623
n12c(=O)c(=Cc3ccc(c(OC)c3)OCCC)sc1nc(C(C)(C)C)n2	MCULE-1134089926	373.469	QOZUQAFIQSGMEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111624
n12c(=O)c(=Cc3ccc(c(OC)c3)OCC)sc1nc(C(CC)CC)n2	MCULE-4476976910	373.469	HGSKWDNXXAKMIY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111625
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCCC)sc1nc(C(C)C)n2	MCULE-1269700150	373.469	BNTZSCXDCILNGI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111626
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCC)sc1nc(C(C)(C)C)n2	MCULE-7065666243	373.469	CUFFNCCFEHJLQC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111627
n12c(=O)c(=Cc3ccc(c(OCC)c3)OC)sc1nc(C(CC)CC)n2	MCULE-9181660471	373.469	KIWSCBKGSOWSQP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111628
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)CC(C)C	MCULE-4759116799	373.469	AVROXXFHHOWRAQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111629
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)CCC	MCULE-3799551752	373.469	LZTKCVZJRLUHIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111630
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCCCCCCC)c2=O	MCULE-4390646950	373.469	LLUIXFFZBCWRTG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111631
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)CC(C)C	MCULE-1636092098	373.469	LMUUNTPXICYZQW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111632
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)CCC	MCULE-6948879438	373.469	XHLGVHKCKNLUTP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111633
O=C(Nc1sc2c(c1C(=O)N)CCC2)NCc1ccc(cc1)OC(C)C	PC-id_35572154,CoCoCo_6463157	373.469	QRMXFGBOSKIPCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111634
O=C(Nc1sc2c(c1C(=O)O)CCC2)CN1CCCC1c1cccn1C	EMOLS-id_13493828,MCULE-8160424979,PC-id_17563047	373.469	DATHFJPUERMNIX-UHFFFAOYSA-N	00000010110000000000100010000000000000000000000000000000	25-01-111635
O=C(Nc1sc2c(c1C(=O)O)CCC2)CN1CCC[C@H]1c1cccn1C	CoCoCo_4571938,CoCoCo_4571939,PC-id_25953731	373.469	DATHFJPUERMNIX-AWEZNQCLSA-N	00000010110000000000100010000000000000000000000000000000	25-01-111636
O=C(Nc1sc2c(c1C(=O)O)CCC2)CN1CCC[C@@H]1c1cccn1C	CoCoCo_4571941,PC-id_25953734,CoCoCo_4571940	373.469	DATHFJPUERMNIX-CQSZACIVSA-N	00000010110000000000100010000000000000000000000000000000	25-01-111637
O=S(=O)(c1cnc2n1CCC2)NC1c2ccccc2CC21CCOCC2	EMOLS-id_99531828	373.469	NFKFFQVYLKFSMH-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-111638
s1c2CCCc2cc1C(=O)NNC(=C1N=C(C(=C1C)C(=O)OCC)C)C	PC-id_9462704	373.469	PTKGSTAIZQYGFG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-111639
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(OC)cc1)C)C(=O)N	PC-id_8778431	373.469	SMGOJGBQORAUOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111640
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(OC)ccc1)C)C(=O)N	PC-id_8794900	373.469	CNOBGDDOKMIZBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111641
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(OC)cccc1)C)C(=O)N	PC-id_27205940	373.469	ZKXLCKSOAPEKNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111642
s1c2c(CCC2)c(c1NC(=O)CN(CCOc1ccccc1)C)C(=O)N	PC-id_8798018	373.469	VMJHNHDSYYGDQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111643
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC)CC	PC-id_16947809	373.469	MECGLWHFSCXDMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111644
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCC(C)C	PC-id_16947837	373.469	LJRUVOGKSHEYBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111645
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NC(CC)C	PC-id_16947838	373.469	VKPBJDIKWDUERV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111646
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_322860007,MCULE-7723440282	373.471	FGZYHXOYRAFHQP-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-111647
CCc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_45964869,ZINC22_16735636	373.471	IUOSFJBLRMPSAY-OZGAEJQKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111648
CC(C)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_45970092,ZINC22_27021514	373.471	KDCANHNDDSHDAY-ANMLQGLPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111649
CC(C)c1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_16779391	373.471	KDCANHNDDSHDAY-NIEGGPFSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111650
C(=O)(Nc1sc2CCCc2c1C#N)CCc1ccc(c2cccnc2)cc1	EMOLS-id_328151141,MCULE-8954324060	373.471	UMTFCMMCSHZCFF-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-111651
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)C=Cc1ccc(cc1)C	MCULE-5666257940	373.471	IUOSFJBLRMPSAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111652
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)C=Cc1ccccc1	MCULE-7120825726	373.471	KDCANHNDDSHDAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-111653
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)SC#N	EMOLS-id_328219768,MCULE-1846266365	373.471	FFNRFMPCUFDTOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111654
c12C3(CCNCC3)OCCc1sc(C(=O)NCc1nnc3CCCn13)c2	EMOLS-id_337823552,ZINC22_2356153953,MCULE-5063446258	373.473	BPLQRWAVSPHMNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111655
c12SCCn1cc(CNC(=O)C1(CCNCC1)Oc1cccnc1C)n2	MCULE-4688923005,ZINC22_77538378,EMOLS-id_43603335,PC-id_70783888	373.473	NHEANNNGYYKDRX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111656
c12SCCn1cc(CNC(=O)N1CCCC(C1)OCc1ccccn1)n2	MCULE-2262328622,EMOLS-id_177364619,PC-id_121495163	373.473	KNPNRLCMSVWYNE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111657
c12SCCn1cc(CNC(=O)N(CC1CCCO1)Cc1ccccn1)n2	MCULE-8824275630,PC-id_121511856,EMOLS-id_177496650	373.473	XAJVIKLJUKUYPV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111658
c1(C(=O)N2CCCN(CC2)C(=O)c2sc(nc2C)C)c2CCCc2[nH]n1	ZINC22_1529158687,PC-id_134705190,EMOLS-id_316207572,MCULE-6009432621	373.473	ISCRERUMTFHVLX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-111659
Cc1ncc(cn1)C(CNC(=O)C1CCc2ncsc12)N1CCOCC1	PC-id_90303547,BindingDB_PC-id_90303547,BindingDB-id_412963,SCHEMBL15903727	373.473	APPXSLNVWVYDHR-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-111660
CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1	ZINC22_40092670,PC-id_51943580	373.473	JAJAZFMOWSMKII-CYBMUJFWSA-N	00000010100110000001000010000000000000000000000000000000	25-01-111661
CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1	ZINC22_40092674,PC-id_51943581	373.473	JAJAZFMOWSMKII-ZDUSSCGKSA-N	00000010100110000001000010000000000000000000000000000000	25-01-111662
N#Cc1c(NC(=O)C2CC(=O)N(C2)C2CCC(CC2)C)nc2n1CCS2	EMOLS-id_111033892	373.473	ZZHKJPCIZPZOGN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111663
O=C(N1CCN(CC1)C(=O)c1ccc(s1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101436690	373.473	ZUOKPXUCMFTBBZ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-111664
O=C(NCc1cn2c(n1)SCC2)N1CCC[C@H](OCc2ccccn2)C1	ZINC22_426373602	373.473	KNPNRLCMSVWYNE-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111665
O=C(NCc1cn2c(n1)SCC2)N1CCC[C@@H](OCc2ccccn2)C1	ZINC22_426373603	373.473	KNPNRLCMSVWYNE-MRXNPFEDSA-N	00000010100010101001000010000000000000000000000000000000	25-01-111666
O=C(NCc1cn2c(n1)SCC2)N(Cc1ccccn1)C[C@@H]1CCCO1	ZINC22_426690365	373.473	XAJVIKLJUKUYPV-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111667
O=C(NCc1cn2c(n1)SCC2)N(Cc1ccccn1)C[C@H]1CCCO1	ZINC22_426690366	373.473	XAJVIKLJUKUYPV-MRXNPFEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111668
O=C(NCc1nnc2CCCn12)c1cc2CCOC3(CCNCC3)c2s1	MCULE-2238372792,EMOLS-id_337827705,ZINC22_2356165700	373.473	GTJLPKKKCSPMCQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111669
O=C(N(Cc1nnc2n1CCC2)C)C1CCCN(C1)C(=O)c1cccs1	MCULE-3708865360,PC-id_45887283,EMOLS-id_30252455	373.473	JAJAZFMOWSMKII-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-111670
O=C(NCCc1nnc2n1CCC2)C1CCN(C(=O)c2cccs2)CC1	ZINC22_54562528,MCULE-6082925118,PC-id_51111776,EMOLS-id_31868030	373.473	KTQZDXXZGDMEHD-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-111671
c12SCCn1cc(CNC(=O)c1cnc(nc1C)N1CCN(CC1)C)n2	ZINC22_97813834,MCULE-2167527155,PC-id_74250732,EMOLS-id_49680964	373.476	XZXUZQQHFCBWJW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-111672
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1CN1CCN(CC1)C	CoCoCo_5248377,ZINC22_22576694,EMOLS-id_6890088,MCULE-4920367049,PC-id_984057,CoCoCo_5248376	373.487	LCVKDTPMRKJMAU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111673
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1CN1CCN(CC1)C	EMOLS-id_6890090,ZINC22_19924424,MCULE-6944667817,PC-id_984060,CoCoCo_4651810,CoCoCo_4651809	373.487	YQPWBCYGLUIESZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111674
O=C([C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)scc2)C)OC(C)(C)C	PC-id_145771016	373.488	LDFHOZHBCVJHLU-MRXNPFEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111675
O=C(C(S(=O)(=O)C)(CCN1Cc2c(C1=O)scc2)C)OC(C)(C)C	PC-id_145771026	373.488	LDFHOZHBCVJHLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111676
CC(C)c1ccccc1OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_91331483	373.489	OAVYEGVHISSJSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111677
CCOC(=O)c1c(sc2c1CCC2)NC(=O)[C@H]([n+]1ccccc1CC)C	GD-id_ZINC29576946	373.489	HYSULISWULSFCC-CYBMUJFWSA-O	00000010100000101000000010000000000000000000000000000000	25-01-111678
COc1ccccc1CCCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_91019948	373.489	VAODRFCTMRFTKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111679
s1c2c(CCC2)c(c1NC(=O)C[n+]1c(ccc(c1)CC)C)C(=O)OCC	PC-id_8861021	373.489	HAFDVYOADCBQOS-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-111680
s1c2c(CCC2)c(c1NC(=O)C[n+]1ccc(CCC)cc1)C(=O)OCC	PC-id_8877306	373.489	FTKRLWLFMRRETE-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-111681
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1ccccc1)C)C(=O)OCC	PC-id_53459736	373.489	SWCYRIXPPIKLHN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111682
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CCc1ccccc1)C(=O)OCC	PC-id_2258756	373.489	BPJVCJYAJXKLTM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111683
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1ccccc1)C)C(=O)OCC	PC-id_2257203	373.489	SWCYRIXPPIKLHN-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111684
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1ccccc1)C)C(=O)OCC	PC-id_2257205	373.489	SWCYRIXPPIKLHN-CYBMUJFWSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111685
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccccc1)C)C(=O)OCC	PC-id_8901316	373.489	OGPVLIBDOSRFTB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-111686
CC(C)(C)c1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)ccn1	EMOLS-id_328223357,MCULE-1225582039	373.491	CAVJUZISPMCRLF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-111687
CC(CCNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccn1	EMOLS-id_328216186,MCULE-8929625087	373.491	CVINYPQKXDHGGO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-111688
CC(CCNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1cccnc1	MCULE-7635300667,EMOLS-id_328215930	373.491	NRGHZTRCQJBQPB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-111689
CC(CCNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccncc1	MCULE-5041682520,EMOLS-id_328214650	373.491	XCPHSYDPOFKVOZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-111690
CCN(CCc1ccncc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8314154759,EMOLS-id_328335773	373.491	UCXAGNQASGXHLR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-111691
OCCN(C1CCS(=O)(=O)C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007089	373.491	XNKAPNMRNHWRLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111692
s1c2CCCc2cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1	PC-id_26872771	376.471	UHQGGPKIXYIUJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113194
c1(NC(=S)NC(=O)c2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)N	MCULE-2909302189,ZINC22_1118050,CoCoCo_989795,EMOLS-id_1778516,PC-id_1295315,SPECS-id_AP-970/42249954,SPECS-id_AN-153/I214640	373.492	MGNNPRKVMNOPHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111693
c1(NC(=S)NC(=O)c2ccc(C)c(C)c2)sc2c(CCC2)c1C(=O)N	PC-id_4504218,TIMTEC381730,MCULE-3589552595,ZINC22_6846155	373.492	PLNBLVLNHSHPAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111694
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2cccc(SC)c2)C1	EMOLS-id_323409324,MCULE-6162867175	373.492	HWFQPSIFVUKNRD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111695
CC1CCC(CC1)NC(=O)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98272758	373.492	FNSPINQQZXOWCS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111696
CC1CCCC(C1)NC(=O)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98804633	373.492	ZTNWWVKCMROOGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111697
CC1CC(C)CN(C1)C(=O)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110551867	373.492	XPOGXXGOTSYMOG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111698
Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)c(C)c1	PC-id_1391822,ZINC22_1255815	373.492	BNTCZKJBCLSXCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111699
CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_9185077,ZINC22_8053761	373.492	UXHSBJALUUHXNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111700
CCCN1CCC[C@@H]1C(=O)NCCN(C(=O)c1cnn2c1CCC2)C1CC1	ZINC22_2325828201	373.492	ARTJRBQJCWLTES-GOSISDBHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-111701
CCCN1CCC[C@H]1C(=O)NCCN(C(=O)c1cnn2c1CCC2)C1CC1	ZINC22_2325828202	373.492	ARTJRBQJCWLTES-SFHVURJKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-111702
CCCN(Cc1nnc(c2cccs2)o1)C(=O)c1cc2c(s1)CCC2	MCULE-9602523917,EMOLS-id_43829218,PC-id_40209275,CoCoCo_3275674,ZINC22_32983419	373.492	ZLEUEGQUVNAETK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-111703
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)CC1CCC1	PC-id_140052490	373.492	GTZVWPYAUKYVFF-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-111704
O=C(N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)CC1CCCCC1	EMOLS-id_101580999	373.492	DJPBYZOGRPYBPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111705
O=C(N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)CCC1CCCC1	EMOLS-id_101436612	373.492	ALHGYHFIQZXROB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111706
O=C(N(C1CCCCC1)C)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98291769	373.492	JCDKPMDCXFJASG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111707
O=S(=O)(N1CCCCC1)N1Cc2c(C1)nc(s2)C#Cc1ccccc1	PC-id_71713761,BindingDB_PC-id_71713761	373.492	ORRCPRICFMXULV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111708
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCC1)c1n(ccc1)C)C(=O)N	PC-id_85013279	373.492	WZJBFRTVGYWLQH-UHFFFAOYSA-O	00000010110000000000100010000000000000000000000000000000	25-01-111709
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)c1n(ccc1)C)C(=O)N	PC-id_9451143	373.492	WZJBFRTVGYWLQH-AWEZNQCLSA-O	00000010110000000000100010000000000000000000000000000000	25-01-111710
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)c1n(ccc1)C)C(=O)N	PC-id_9451145	373.492	WZJBFRTVGYWLQH-CQSZACIVSA-O	00000010110000000000100010000000000000000000000000000000	25-01-111711
CNS(=O)(=O)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009075	373.494	AFMPDDVDVUAEOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111712
CC(C(c1nnc2n1CCC2)NC(=O)c1cnc(s1)c1cscc1)C	EMOLS-id_48346417,PC-id_75463597,MCULE-4233698362	373.496	CKHIJPZKHJFTIG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-111713
CCC(CC)c1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324850413	373.496	SZHMANHZLMNPFJ-QPEQYQDCSA-N	00000000100000000001000110000000000000000000000000000000	25-01-111714
CC(C)[C@H](NC(=O)c1cnc(c2ccsc2)s1)c1nnc2n1CCC2	PC-id_97316375,ZINC22_95958527	373.496	CKHIJPZKHJFTIG-AWEZNQCLSA-N	00000010100100000001100010000000000000000000000000000000	25-01-111715
CC(C)[C@@H](NC(=O)c1cnc(c2ccsc2)s1)c1nnc2n1CCC2	ZINC22_95958528,PC-id_97316376	373.496	CKHIJPZKHJFTIG-CQSZACIVSA-N	00000010100100000001100010000000000000000000000000000000	25-01-111716
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1CC1	CoCoCo_4022083,EMOLS-id_13513582,ZINC22_7618212,PC-id_8723833,MCULE-2912356122	373.496	MYDRELJVJOOSJB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-111717
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)C(=O)C1CCCC1	PC-id_109826375	373.496	DYLQTWJRNMDFJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111718
CN=C(NC1CCN(C1)C(=O)C1CCCCC1)NCc1nnc2n1CCC2	PC-id_109799962	373.496	GZOFMIIZMGCZHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111719
n12c(=O)c(=Cc3c(C)nc4scc(C)n34)sc1nc(C(CC)CC)n2	MCULE-2202016666	373.496	SZHMANHZLMNPFJ-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-111720
N#Cc1c(NC(=O)CN2CCN(c3nccs3)CC2)sc2c1CCC2	PC-id_45863845,ZINC22_40033508,EMOLS-id_30241402,MCULE-4969909159	373.496	ZAYZXMDSVQMWLQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111721
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CC)CC=C)C#N	PC-id_17136548	373.496	AXNGLDKTTRNDJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111722
s1cc(nc1c1sccc1)CN(C(=O)Nc1n(nc2c1CCC2)C)C	PC-id_72911133	373.496	UAPBTAZERLEBAO-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-111723
s1c2c(c(C[NH+]3CCCCCC3)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_3341820	373.507	CZJUEGOSCVQZLS-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-111724
CCCCc1cc2n(c1C(=O)c1sccc1C)CCC2C(=O)OC(C)C	SCHEMBL11662852,PC-id_20356144	373.509	AKFRBKFRIQCDHU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-111725
COc1cc(OC)ccc1CNC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C	PC-id_143171962	373.509	CFABBPYDZPFEAB-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111726
OCCOc1ccc(cc1)CNC(=O)c1sc(c2c1CC(C2)C(C)C)C	PC-id_143171989	373.509	XIVPBIAOFRSLDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111727
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)n(C)nc2CSCc12	MCULE-5348153152,EMOLS-id_334561981	373.512	DLMPSDFPUVDPJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111728
c1(NC(=O)COc2ccc(cc2)C(C)C)c2CSCc2nn1C(C)(C)C	CoCoCo_5065552,ZINC22_4341910,MCULE-4656922218,EMOLS-id_5530893,ChEMBL-DNDi_CHEMBLF1878-0016,PC-id_7200101	373.512	NGJNJYWJWNVJGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111729
Cc1ccc(cc1C)CC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100578724	373.512	HUJBWGLVEYQAMH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111730
Cc1ccc(cc1)S(=O)(=O)C1CCCCC1NC1CC(n2c1ncc2)C	EMOLS-id_318369341	373.512	QMROYKKPXAYBRW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111731
CC(c1ccc(cc1)C1CCCCN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100209412	373.512	FMCBSAWNHJENFN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111732
CCCCOc1ccc(cc1)C(=O)Nc1c2CSCc2nn1C(C)(C)C	CoCoCo_4972653,PC-id_4422008,ChEMBL-DNDi_CHEMBLF0396-0147	373.512	MWDJTZSUSDRYOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111733
Cn1nc(c2c1CCC2)CN(S(=O)(=O)Cc1ccccc1)C1CCCC1	PC-id_92110019	373.512	CYCURBGYULLJQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111734
N1(CCCCC1)C(=O)CCCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-5300031140,EMOLS-id_328215557	373.512	IQDIDGPSZHYXPS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-111735
N#Cc1c(NC(=O)C(N2CC(C2C2CCCO2)(C)C)C)sc2c1CCC2	EMOLS-id_99514739	373.512	YVRWPUBVZVFVFL-UHFFFAOYSA-N	00001010100000000000100010000000000000000000000000000000	25-01-111736
N#Cc1c(NC(=O)C(N2CCC(CC2)C2CCCO2)C)sc2c1CCC2	EMOLS-id_101127498	373.512	HPLGVNMXNZWNQU-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-111737
N#Cc1c(NC(=O)C(N2CCC(CC2)OCC2CC2)C)sc2c1CCC2	EMOLS-id_99812805	373.512	KRTLFGCHXSPNSD-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-111738
N#Cc1c(NC(=O)C(N2CCOCC(C2)C2CCC2)C)sc2c1CCC2	EMOLS-id_100716954	373.512	ZYERPNVSFTUXKH-UHFFFAOYSA-N	00001010100000000101100010000000000000000000000000000000	25-01-111739
O=S(=O)(c1cnc2n1CCC2)N1CCCC1c1ccc(cc1)C(C)(C)C	EMOLS-id_100173962	373.512	XBHJWSQKPPAMPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111740
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1ccc(C(C)(C)C)cc1	PC-id_24045102	373.512	LKZATNSLXSDVBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111741
O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2c(s1)CCC2	PC-id_17420283,CoCoCo_3281188,MCULE-3465029188,EMOLS-id_11964004,ZINC22_12688847	373.515	UKTNPOYVOIQTME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111742
c1(CN(C2CC2)C(=O)NCCc2sc3c(CCC3)n2)c(C)nn(C)c1C	MCULE-4045018990,EMOLS-id_177423363,ZINC22_584892731	373.516	XUGPGCINQRQQAY-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-111743
CCCc1nnsc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109867	373.516	XPWCWXASHUQDFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111744
CCCCN1CCCC1c1ccc(s1)C(=O)NCc1nnc2CCCn12	EMOLS-id_24868641,MCULE-2355700422,PC-id_45252109	373.516	QWQZAOWWDMTYMI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-111745
CCCCN1CCC[C@H]1c1ccc(C(=O)NCc2nnc3n2CCC3)s1	CoCoCo_1642224,ZINC22_23619514,CoCoCo_1642222	373.516	QWQZAOWWDMTYMI-AWEZNQCLSA-N	00000010100100000001100010000000000000000000000000000000	25-01-111746
CCCCN1CCC[C@@H]1c1ccc(C(=O)NCc2nnc3n2CCC3)s1	ZINC22_23619511,CoCoCo_1642223,CoCoCo_1642221	373.516	QWQZAOWWDMTYMI-CQSZACIVSA-N	00000010100100000001100010000000000000000000000000000000	25-01-111747
CCn1ccnc1C1CCCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008847	373.516	MMHVTKJYVAWLCN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111748
COc1nccnc1N(C)CC1CCN(Cc2nc3CCCc3s2)CC1	EMOLS-id_320330153,MCULE-5835939058,ZINC22_1776009588,PC-id_145869177	373.516	KZXVAWQDNYNUBU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-111749
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1csc(n1)C(C)(C)C	EMOLS-id_98077462	373.516	MRKIEYWCUSCOFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111750
CCNC(=NCc1nnc2n1CCC2)NC1CCN(CC1)c1cccs1	PC-id_109656247	373.519	GWVPFTONGJUQSN-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-111751
CN=C(NCc1nnc2n1CCC2)NCC(c1cccs1)N1CCCC1	PC-id_111012807	373.519	OADATJWAOUXACA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-111752
s1c2CCCc2cc1C(=O)NNC(=S)Nc1ccc(CCCC)cc1	PC-id_8660009	373.535	QKFNMJBDVABCRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111753
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(SC)cccc1	PC-id_44060416	373.535	LIKYSRZUVGLGJK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111754
O=C(N1CCC(CC1)CCN1CCCCC1C)NC1CC(n2c1ncc2)C	EMOLS-id_101577093	373.536	ANJUVRXKJOSRGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111755
O=C(NC(c1nnc2n1CCC2)C)NCC1(CCCCC1)C1CCCCC1	EMOLS-id_98392310	373.536	QNIWRVYFONAFCN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111756
CN=C(NCc1nnc2n1CCC2)NCC1(CCCCC1)N1CCCCC1	PC-id_111020357	373.539	HJDNKSWOEZDPRX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111757
CCN1CCC[C@@H](CN(C)Cc2nc3c(s2)CCC3)[C@@H]1c1cnn(C)c1	ZINC22_328647286,EMOLS-id_112028218,MCULE-4780282145	373.559	TWSOAIQFPMDRHC-MGPUTAFESA-N	00000010100010000001100010000000000000000000000000000000	25-01-111758
Ic1n[nH]c2CN(Cc12)C(=O)c1cc(Cl)ccc1	PC-id_85932804	373.577	ZMFNVHDWZLBQCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111759
Brc1cc(NC2CCc3sc(Cl)cc23)ccc1[N+](=O)[O-]	PC-id_82863661	373.653	MRRMDBFXXFZZON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111760
Brc1cc([N+](=O)[O-])c(NC2CCc3sc(Cl)cc23)cc1	PC-id_81234114	373.653	JYRGWNDJXWYJKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111761
Brc1c(NC2CCc3sc(Cl)cc23)ccc([N+](=O)[O-])c1	PC-id_81233897	373.653	UTRQJMAAXWNXGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111762
Brc1c(NC2CCc3sc(Cl)cc23)cc([N+](=O)[O-])cc1	PC-id_81504489	373.653	KKWZCNBQDBHFRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111763
Brc1c([N+](=O)[O-])cc(NC2CCc3sc(Cl)cc23)cc1	PC-id_81246726	373.653	SNSWYCZVIXDOKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111764
OC(=O)C1CCc2c1nc(s2)Nc1cc(Br)ccc1Cl	PC-id_104288623	373.653	ZIUKFEZDDXQSRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111765
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1Br)Cl	PC-id_103481839	373.653	NDUMKSZIBIOHAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111766
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)Br)Cl	PC-id_104289053	373.653	NLGKLWJVKYCZOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111767
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Br)Cl	PC-id_104289141	373.653	JQGFOLMDULOYCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111768
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Cl)Br	PC-id_104287782	373.653	XLVKDZFMARZMMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111769
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1)Cl)Br	PC-id_107617627	373.653	FPYAOHDNLDDSEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111770
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)ccc1Br	PC-id_104289143	373.653	DFZGLDNPBMYPGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111771
Brc1c(OC)c(C(O)c2sc3c(CCC3)c2)cc(Cl)c1	PC-id_61101363	373.692	XBWHMCQXDUMIGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111772
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(c(C(F)(F)F)c1)Cl)C	EMOLS-id_17110262,STOCK6S-53743,MCULE-3007863248,PC-id_135629891	373.718	UTRVSKKQDHBLDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111773
CCCCc1c(C(=O)c2ccc(cc2)C)n2c(c1Cl)C(CC2)C(=O)OC	SCHEMBL11006953,PC-id_20404998	373.873	BKKYATZTSBBTKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111794
Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N2	PC-id_135904112,ZINC22_13729754	373.718	UTRVSKKQDHBLDC-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111774
Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N2	PC-id_135904113,ZINC22_13729757	373.718	UTRVSKKQDHBLDC-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-111775
C/C(=CC(=C(F)/C)[C@@H]1C[C@@H](c2n1nc(n2)S(=O)(=O)C(F)F)F)/Cl	PC-id_142577367	373.754	KJARDGGNSDOGJZ-VVHDYHMDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111776
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c(OC)ccc(Cl)c2)n1	ZINC22_869830,MCULE-6441634427,PC-id_1129757,CHEMBL1563271,EMOLS-id_1359727,CoCoCo_224993,BAS-01939668	373.757	UBNMRSYLEMXWFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111777
Cc1c(c(c2n1CCN2Cc1cnc(cc1)Cl)C(=O)C(F)(F)F)OC	PC-id_89392551,SCHEMBL14646113	373.757	IKVJUEKAERFZOU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111778
COC(=O)c1c(C)nn2c1N(CC2)Cc1cc(Cl)cc(c1)C(F)(F)F	SCHEMBL18758695	373.757	DRTOFKBHKWQVFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111779
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(cc1Cl)F	PC-id_56747004,MCULE-8133437755,EMOLS-id_36585378,ZINC22_67816962	373.784	KOBHVUHJOXGDTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111780
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cccc(Cl)c1F	PC-id_56738641,MCULE-5536798999,ZINC22_67431891,EMOLS-id_36564127	373.784	ZRGOLIRFXOBMDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111781
CC(C(=O)O)Oc1cc(/N=c/2snc3n2CC(O3)C)c(cc1Cl)F	SCHEMBL10544730,PC-id_13730430	373.787	JBHPSAUBOVKFAV-VKAVYKQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-111782
CC(=O)c1cc(cc(c1)C(=O)C)C(=O)c1c(Cl)cc2n1CCC2C(=O)O	PC-id_20456514,SCHEMBL11061304	373.787	WHSWENUYTIAFMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111783
Clc1c([N+](=O)[O-])cc(C=CC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_4511852	373.813	GQGOATSRVXYPST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111784
Clc1c(OC(C)C)cc(/N=c/2sc(=O)n3n2CC(OC)C3)c(F)c1	PC-id_19937146	373.83	AUTQLLYBHDQBBY-JXAWBTAJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111785
COC1Cn2n(C1)/c(=Nc1cc(OC(C)C)c(cc1F)Cl)/sc2=O	SCHEMBL9131387	373.83	AUTQLLYBHDQBBY-NBVRZTHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111786
COC1Cn2n(C1)c(=Nc1cc(OC(C)C)c(cc1F)Cl)sc2=O	SCHEMBL9131389	373.83	AUTQLLYBHDQBBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111787
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)Nc1ccccc1Cl	EMOLS-id_207863025,MCULE-4828876967	373.837	RKTPHGQJIRKPIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111788
Clc1c(N2CCCC2=O)cc(C(=O)NCCc2n3CCCc3nn2)cc1	PC-id_53512096	373.837	UPBSXCBDZHTGIY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111789
Clc1c(SCC(=O)O)cc(/N=c/2snc3n2CC(C3)C)c(F)c1	PC-id_54033789	373.853	LHMPOMHAWYYNGW-VKAVYKQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-111790
Clc1c(c2oc(nc2)CCC(=O)Nc2sc3CCCc3n2)cccc1	PC-id_33040996	373.857	CBSLDOKXDKHQGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111791
Clc1c(c2scc(n2)CC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_52371130	373.86	SEVXDEUOSLZKBR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111792
CCCc1cc2n(c1C(=O)c1ccccc1Cl)CCC2C(=O)OC(C)C	SCHEMBL11604788,PC-id_20351590	373.873	SEIDMLHTZRBCPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111793
CCCCCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(cc1)Cl	SCHEMBL7676777,PC-id_54303474	373.873	SFVTYUNCJMZFAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111795
c12CN(Cc1nn(CC1CCCCC1)c2Cl)C(=O)OCc1ccccc1	MCULE-2194825095,EMOLS-id_324343906	373.876	FBCQSWCFBSVNOW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111796
CN=C(N1CCN(CC1)c1ccccc1Cl)NCc1nnc2n1CCC2	PC-id_111177294	373.883	XSEWPIHJVRYSCE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111797
CN=C(N1CCN(CC1)c1cccc(c1)Cl)NCc1nnc2n1CCC2	PC-id_111186783	373.883	KQMDSCLZRFULSW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111798
CN=C(NC1CCN(C1)c1cccc(c1)Cl)NCc1nnc2n1CCC2	PC-id_109463318	373.883	CVTHFICLZIEYKU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111799
Clc1ccccc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324905476	373.9	OQNQGMOSBPGXKE-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-111800
Clc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324904450	373.9	WVSHMILOJYKYNE-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-111801
Clc1c(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_36013578	373.9	LHLLECFMUJZODQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111802
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCC1CCCCC1	MCULE-5794827394	373.9	OQNQGMOSBPGXKE-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-111803
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)CCC1CCCCC1	MCULE-5326349326	373.9	WVSHMILOJYKYNE-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-111804
C1CC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)F)NC(=O)CSCC#N	PC-id_154797222	374.056	RKKZYPULPUDWPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111805
C1C2=CN(N=C2CN1C(=O)C(CO)C3=C(C=CC=N3)F)SC4=CC=NN4	PC-id_164872187	374.096	CUDITASVWGHGKL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-111806
CC1=C(N2CCCC2=C1C(=O)OC(C)(C)C)C(=O)C(=S3CCCC3)C#N	PC-id_152239260	374.166	WCYUMMRLZSKHML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111807
CC1CCc2c1c(I)nn2Cc1cccc(F)c1F	MCULE-8575454762,EMOLS-id_330981366	374.168	VRYXIFIJSCZJJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111808
CC1CCc2c1c(I)nn2Cc1ccc(F)cc1F	EMOLS-id_330979574,MCULE-4427255473	374.168	CTLHRXDKEYQOLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111809
CC1CCc2c1c(I)nn2Cc1ccc(F)c(F)c1	MCULE-4610809430,EMOLS-id_330979318	374.168	SCGPUBWNOKYIAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111810
CC1CCc2c1c(I)nn2Cc1cc(F)ccc1F	MCULE-7113103269,EMOLS-id_330977783	374.168	ZYKSHVWGEXWGHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111811
CC1CCc2c1c(I)nn2Cc1cc(F)cc(F)c1	MCULE-3495009103,EMOLS-id_330979831	374.168	KUPHVNJJQLITIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111812
CC1CCc2c1c(I)nn2Cc1c(F)cccc1F	MCULE-9411248099,EMOLS-id_330977527	374.168	NJIORHDCTRTBIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111813
CC1CCc2nn(Cc3cccc(F)c3F)c(I)c12	MCULE-8879836220,EMOLS-id_330961331	374.168	LFGZOOVBIREUHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111814
CC1CCc2nn(Cc3ccc(F)cc3F)c(I)c12	MCULE-9735279257,EMOLS-id_330963634	374.168	QQKFLOVGBRLGNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111815
CC1CCc2nn(Cc3ccc(F)c(F)c3)c(I)c12	EMOLS-id_330963378,MCULE-7807342313	374.168	QYBOECSZXUWKAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111816
CC1CCc2nn(Cc3cc(F)ccc3F)c(I)c12	EMOLS-id_330961843,MCULE-6581855930	374.168	JIMFMVOBOLYCEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111817
CC1CCc2nn(Cc3cc(F)cc(F)c3)c(I)c12	MCULE-6871530501,EMOLS-id_330963891	374.168	BSYLYKPBNXFYJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111818
CC1CCc2nn(Cc3c(F)cccc3F)c(I)c12	MCULE-4744754821,EMOLS-id_330961587	374.168	IDCICCMCDLPWEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111819
C1C2=C(CN1CC3=CC=CC=C3)NN=C2C(CC(=O)C4=CC=CC=C4)C(=O)N	PC-id_153863710	374.174	PKQBHYHHVGEYDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111820
CC1CCc2c1c(N)nn2Cc1ccc(c(Br)c1)C(F)(F)F	MCULE-2211914804,EMOLS-id_330961146	374.199	CUGQWYLBUWNIBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111821
CC1CCc2c1c(N)nn2Cc1ccc(cc1Br)C(F)(F)F	MCULE-6657078135,EMOLS-id_330962681	374.199	URUXJORNIIKPLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111822
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(N)c12	MCULE-6202223516,EMOLS-id_331010215	374.199	HCDTTZUPHMNMNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111823
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(N)c12	MCULE-7830379888,EMOLS-id_331011750	374.199	KRCYCXMHLIEFGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111824
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3)C(=NOC4CCOCC4)N)F	PC-id_154011379	374.199	SHAJRZZQCHEAJJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111825
O=C(c1c(C)n[nH]c1I)Nc1sc2c(n1)CCC2	EMOLS-id_278265284	374.201	QNRKWYMFCQUUHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111826
Brc1cccc(c1)c1ccc(/C=c/2sc3ncnn3c2=O)o1	EMOLS-id_2453481,ZINC22_16265403	374.212	MQBUVUYEUIAVSJ-QPEQYQDCSA-N	00000000101000110001100010000000000000000000000000000000	25-01-111827
Brc1cccc(c1)c1ccc(/C=c/sc3ncnn3c2=O)o1	EMOLS-id_45963574,ZINC22_1129625	374.212	MQBUVUYEUIAVSJ-NTUHNPAUSA-N	00000000101000110001100010000000000000000000000000000000	25-01-111828
n12ncnc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O	MCULE-3487884957,EMOLS-id_300088643,ZINC22_254442786	374.212	MQBUVUYEUIAVSJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-111829
n12ncnc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O	MCULE-4674927535	374.212	PYTCNZNNIKOHEK-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-111830
Cn1cc(c(n1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)Br	EMOLS-id_110874309	374.214	VNTGNTDZYHVYHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111831
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(cc1)C=C	SCHEMBL10814934,PC-id_20253924	374.229	RMEXOPSIFOIMJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111832
CC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)OCC1CC1	EMOLS-id_278913479	374.25	IBBLJMATYCTRQX-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-111833
CCOC1CC(C1)C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	MCULE-1789959481,EMOLS-id_258101568	374.25	GJEVPQKTBSKUSD-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-111834
COCCC1(CC1)C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	MCULE-6158166495,EMOLS-id_319973908	374.25	SBNJAKASQCSEDI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-111835
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)CC1CCCCO1	EMOLS-id_316552552	374.25	OTTPUKAQSXVHBK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-111836
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)CCC1CCOC1	EMOLS-id_316553064	374.25	ZVKYCMCDIKEHSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111837
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)COC1CCCC1	MCULE-7720360745,EMOLS-id_319887775	374.25	YQBGVZCADZGTFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111838
OC(=O)c1sc2c(c1Br)CN(C2)C(=O)C1(C)CCCOC1	EMOLS-id_278913161	374.25	HUTOFPGYKZSTQY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-111839
Brc1cccc(c1)C1(CCC1)CNC(=O)c1nn2c(c1)CCC2	EMOLS-id_317993116	374.275	JGNLSMPSCIUSGN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-111840
Brc1cc(N)c(S(=O)(=O)Nc2sc3CCCc3n2)cc1	PC-id_61508005	374.277	LKMXUJLRPXGPCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111841
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)ccc1N	PC-id_64340306	374.277	PHTRKROWCUPJGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111842
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c(N)cc1	PC-id_61508288	374.277	MCPXTQUKKJTVDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111843
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)ccc(N)c1	PC-id_61508441	374.277	HVLCMJOSUOAXLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111844
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(N)cc1	PC-id_65206734	374.277	PCYNYBAWVBLRCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111845
Cc1cc(c(Cl)cc1Cl)S(=O)(=O)NCc1c2CCCc2nn1C	ZINC22_225819110,PC-id_91819423,EMOLS-id_53884715,MCULE-3589252270	374.285	KCDZRQLEESLCFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111846
C[C@H]1C[C@@H](NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c2nccn12	ZINC22_1776007758	374.285	WFBDMZOCBGIXFH-DZGCQCFKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111847
C[C@@H]1C[C@H](NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c2nccn12	ZINC22_1776007760	374.285	WFBDMZOCBGIXFH-HIFRSBDPSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111848
C[C@@H]1C[C@@H](NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c2nccn12	ZINC22_1776007761	374.285	WFBDMZOCBGIXFH-UKRRQHHQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111849
C[C@H]1C[C@H](NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c2nccn12	ZINC22_1776007763	374.285	WFBDMZOCBGIXFH-ZFWWWQNUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111850
O=C(N1CCC(CC1)B1OC(C(O1)(C)C)(C)C)NC1CC(n2c1ncc2)C	MCULE-6572185391,PC-id_139021414	374.285	WFBDMZOCBGIXFH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-111851
Cc1nn(c2c1CCC2)[B-](n1nc(c2c1CCC2)C)n1nc(c2c1CCC2)C	PC-id_139160132	374.29	XARFALUJELDPQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-111852
BrCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_103601670	374.293	ZVDOFNVEMNGORY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111853
BrC(C(C)C)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_43167911	374.293	VAHKTVATORNNDQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111854
CCCCC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)CC	MCULE-9852739483,EMOLS-id_320271055	374.293	ZPWVHRYNZPXHJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111855
CC(CC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)(C)C)C	EMOLS-id_278913158	374.293	AFWGKAPCJAWDSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111856
CCCC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)CCC	MCULE-5598776239,EMOLS-id_258101787	374.293	UQNNBXWTYCMYOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-111857
c12CCCc1sc(N=Cc1ccc(N(C)C)c(Br)c1)c2C#N	MCULE-3429938599,PC-id_1089744	374.298	QEAOWOBAUIEUNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111858
CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1Br	EMOLS-id_25781511,CoCoCo_39967,BAS-00323445,PC-id_9591144,ZINC22_809033	374.298	QEAOWOBAUIEUNX-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-111859
N#Cc1c(/N=Cc2ccc(c(c2)Br)N(C)C)sc2c1CCC2	CoCoCo_39968	374.298	QEAOWOBAUIEUNX-JMIUGGIZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111860
Brc1c2n(CCC2C)c(c1CCCC)C(=O)c1ccc(cc1)C	PC-id_57307279	374.315	ZFODGSNMEAFJRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111861
CCc1nn2c(n1)C(C(=N2)C(=O)O)(N)Nc1c([nH]n2c1nc(n2)C)C(=O)O	PC-id_70159621,SCHEMBL7674390	374.315	RYXOQAXUDXQLCO-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-111862
CCc1nnc2n1N=C(C2(N)Nc1c([nH]n2c1nnc2C)C(=O)O)C(=O)O	PC-id_70160246,SCHEMBL7677023	374.315	ZPKWKLJSROKKSB-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-111863
Fc1ccccc1OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518597	374.327	HIFSXNXMYQQMEV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111864
Fc1ccccc1OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518598	374.327	HIFSXNXMYQQMEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111865
Fc1cccc(c1)OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518602	374.327	UXPAHNLLTPCXLQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111866
Fc1cccc(c1)OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518603	374.327	UXPAHNLLTPCXLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111867
O=C(c1cccc(c1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)NCC(F)(F)F	EMOLS-id_316618810	374.338	UCNCGOPQNRDNBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111868
O=C(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cn[nH]2)NCC(F)(F)F	EMOLS-id_316637491	374.338	VTHIWGWJTWOWRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111869
O=C(c1ccc(cc1)S(=O)(=O)N1CCn2c1ncc2)NCC(F)(F)F	MCULE-2683280243,EMOLS-id_319921826	374.338	QQCZGSRPQQXFDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111870
c1(coc(COc2cccc(F)c2F)n1)C(=O)NCc1c2CCCc2[nH]n1	CoCoCo_1300330,MCULE-6375776774,EMOLS-id_20520083,CoCoCo_1300331,PC-id_25274550,ZINC22_12434318	374.341	IVMGRKDVPZUPEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111871
c1(C(=O)NCc2c3CCCc3[nH]n2)cc(on1)COc1c(cccc1F)F	ZINC22_67850783,PC-id_56717401,MCULE-6632393429,EMOLS-id_36455169	374.341	KUAGQAAMPWWECP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111872
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@@H]([C@H](NC(=O)CCC(F)(F)F)C1)O	ZINC22_1857674201,EMOLS-id_324087124,MCULE-6718536547,PC-id_146045011	374.358	XACZXNSMFKZUJK-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-111873
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)F)CN(C2(C)C)C=O	PC-id_143492440	374.366	IQNUISVDZXGYBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111874
s1c2c(CCC2)c(c1NC(=O)Cn1nc(oc1=O)c1occc1)C(=O)N	PC-id_60351417	374.371	YBUORYJEZUSYOY-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-111875
CC(c1nnc2n1CCC2)NS(=O)(=O)Cc1ccccc1C(F)(F)F	EMOLS-id_317950718	374.381	USNKKZRVCBHMFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111876
FC1(F)CC(C1)C(=O)NCC1CCc2ncc(C(=O)Nc3ccccc3)n12	EMOLS-id_313761487	374.385	VSFXYTIDKZTWRF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-111877
O=C(Nc1ccccc1)c1cnc2n1[C@@H](CNC(=O)C1CC(F)(F)C1)CC2	ZINC22_1565554251	374.385	VSFXYTIDKZTWRF-CQSZACIVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-111878
O=C(Nc1ccccc1)c1cnc2n1[C@H](CNC(=O)C1CC(F)(F)C1)CC2	ZINC22_1614940749	374.385	VSFXYTIDKZTWRF-AWEZNQCLSA-N	00001010100000110001000010000000000000000000000000000000	25-01-111879
s1c2CCCc2cc1C(=O)OCc1onc(n1)COc1ccc(F)cc1	PC-id_46543919	374.386	CWCRMMMRAGUUCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111880
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(F)c(OC)cc1)C#N	PC-id_8702448	374.386	ZMUIBWFUSHNKAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111881
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(F)cc(OC)cc1)C#N	PC-id_8509231	374.386	OMLNTEMZRWCBDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111882
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(F)cc1)C#N	PC-id_7791399	374.386	BFPFQDCVLLFWMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111883
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(F)cccc1)C#N	PC-id_9140163	374.386	IMILKMIJFISJKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111884
C1Cn2c(ccc2C(=O)c2ccccc2)C1C(=O)OCCCCON(O)O	SCHEMBL13089986,PC-id_89017488	374.388	IZZAJHCOBZNCKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111885
c12SCCn1cc(CNC(=O)c1coc(COc3ccccc3F)n1)n2	PC-id_45932385,ZINC22_11817321,EMOLS-id_232771875,MCULE-2876349952	374.389	YAVHKMAHFIHJJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111886
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)NC(=O)c1ccccc1	PC-id_139746933	374.389	XXQUOUQKROIGEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111887
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)NC(=O)c1ccccc1	PC-id_139746946	374.389	NBYINPYNPGRPFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111888
OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1NC(=O)c1ccccc1	PC-id_139746960	374.389	PKSKJWXLQBVNDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111889
CCOC(=O)c1nc2n(n1)C(C[C@H]2OC(=O)c1ccc(cc1)NO)C(C)C	SCHEMBL20867693,PC-id_138515881	374.391	CQYZCRFCQHWPQJ-ARLHGKGLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111890
O=C(c1ccccc1)Nc1nn(c2c1CN(C2)C(=O)c1ccccc1)C(=O)C	CT-id_2235221,PC-id_71462225,2235221_OpenMolecule	374.393	YNUZRVCWZGUBPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111891
n12ncnc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O	MCULE-8208650592	374.394	RDIVXTVQZKTMPU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-111892
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2cccnc2)C1)Nc1ccccc1	PC-id_68441885,SCHEMBL2922207	374.396	AYCVADCWXTZFLF-CMDGGOBGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-111893
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2cccnc2)C1)Nc1ccccc1	PC-id_68441887	374.396	AYCVADCWXTZFLF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-111894
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2ccncc2)C1)Nc1ccccc1	PC-id_68440082,SCHEMBL2916845	374.396	AOLWWEKFPRCLHO-VOTSOKGWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-111895
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccncc2)C1)Nc1ccccc1	PC-id_68440085,SCHEMBL2916854	374.396	AOLWWEKFPRCLHO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-111896
O=C(NCc1n2CCCc2nn1)Nc1ccc(Oc2c(cccc2)C#N)cc1	PC-id_60577713	374.396	BGRXJHPOHVAWHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111897
O=C(NCc1n2CCCc2nn1)Nc1ccc(Oc2ccc(cc2)C#N)cc1	PC-id_60591366	374.396	NDPYYCZHWCZWKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111898
CCOC1=Nn2c(C1(N)Nc1c(OCC)[nH]n3c1nc(n3)C)nc(n2)CC	SCHEMBL7669226	374.401	XHITXQCVMDCTFI-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-111899
CCOC1=Nn2c(C1(N)Nc1c(OCC)[nH]n3c1nnc3C)nnc2CC	SCHEMBL7672723,PC-id_70159169	374.401	GWTHDGWYGDDNIV-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-111900
O(C1=Nn2nc(nc2C1(Nc1c2n(nc1OCC)[nH]c(n2)C)N)CC)CC	PC-id_70158208	374.401	GDWQFYNFRUAENR-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-111901
Cc1nn2c(n1)C(=NNc1c(cnn1c1ccccn1)C#N)C(=N2)C(C)(C)C	PC-id_88961009	374.403	BZQRRQHPXAHKDZ-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-111902
n12N=C(C(C)(C)C)/C(=N/Nc3n(ncc3[N+]#[C-])c3ncccc3)/c1nc(n2)C	PC-id_59702935	374.403	QNVKIHIOACGQEY-UCQKPKSFSA-N	00000011100000101001100010000000000000000000000000000000	25-01-111903
n12N=C(C(C)(C)C)C(=NNc3n(ncc3[N+]#[C-])c3ncccc3)c1nc(n2)C	PC-id_72362442	374.403	QNVKIHIOACGQEY-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-111904
C[C@@H](NC(=O)c1cc2n(n1)CCO2)c1cc(F)ccc1N1CCC(O)CC1	ZINC22_810495902	374.409	QVFHCZOBINGPOW-GFCCVEGCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111905
C[C@H](NC(=O)c1cc2n(n1)CCO2)c1cc(F)ccc1N1CCC(O)CC1	ZINC22_810495903	374.409	QVFHCZOBINGPOW-LBPRGKRZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111906
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)OC(C)(C)C)(C)C)cc1	PC-id_11858970	374.409	ORXYRIFNRMQPCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111907
OC1CCN(CC1)c1ccc(cc1C(NC(=O)c1nn2c(c1)OCC2)C)F	EMOLS-id_316802529,MCULE-7778430370	374.409	QVFHCZOBINGPOW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111908
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1ccccc1	TIMTEC486921,ZINC22_17076586,PC-id_17377952,CoCoCo_6832859,MCULE-8477277227,EMOLS-id_4051760	374.411	USTWKKTUXCRUPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111909
c1c(cc(cc1)CC(=O)Nc1sc2CCCc2c1C(=O)OCC)N(=O)=O	MCULE-4770689378,EMOLS-id_328103187	374.411	ONGCYYDLOQDDJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111910
c1(NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2196027,SCHEMBL18104300,ZINC22_654700,MCULE-8660726785,PC-id_999812,CoCoCo_896729,SPECS-id_AK-968/40594333	374.411	OIJUQCQOGNUTGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111911
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_261142618,MCULE-8958040809,ZINC22_1946572,PC-id_1672571	374.411	JSOBVORBWRWUGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111912
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)OCCC	CoCoCo_6786847,PC-id_1747200,SPECS-id_AK-968/15604001,MCULE-4837651555,EMOLS-id_4051756,ZINC22_2089771,TIMTEC504576	374.411	VMPCIDRQNKPLOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111913
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	TIMTEC471606,MCULE-9152239503,SPECS-id_AK-968/12102736,ZINC22_996207,CoCoCo_684001,PC-id_1220980,EMOLS-id_2095955	374.411	UBRZFPALQSODEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111914
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	PC-id_4163221,TIMTEC507136,EMOLS-id_5380318,ZINC22_2747601,MCULE-2946220333	374.411	VPLGSRXVRSVPCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111915
Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1O	ZINC22_3457725,MCULE-3007820763,PC-id_2578074,EMOLS-id_34073053	374.411	INGDPFLZAKUNCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111916
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(O)c1	EMOLS-id_33766956,MCULE-2377563212,PC-id_3904032,ZINC22_5225836	374.411	BMDGMPGYAUIYDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111917
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)OC(=O)c1ccccc1O	EMOLS-id_24998845,PC-id_45853319,MCULE-9643815238	374.411	PLBPTGCOJVEWLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111918
C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4170468,PC-id_37289939,ZINC22_29994893	374.411	PLBPTGCOJVEWLL-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111919
C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_29994894,PC-id_37289940,CoCoCo_4170469	374.411	PLBPTGCOJVEWLL-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-111920
CCOc1c(cc(cc1)C(CC(=O)N)N1C(=O)c2cscc2C1=O)OC	SCHEMBL15015441,PC-id_89617326	374.411	FCMQEKLMBRGGOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111921
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)csc2)CC(=O)N	SCHEMBL2996872,PC-id_68470877	374.411	YSLQYDYMDGKDIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111922
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	PC-id_110830054	374.411	SMLUHGRTEHHZFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111923
CCOC(=O)c1c(NCC(=O)c2cccc(c2)[N+](=O)[O-])sc2c1CCC2	PC-id_110830185	374.411	HUFKFZSYDVWHSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111924
CCOC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCC2	MCULE-3167980767,EMOLS-id_327878879,ZINC22_408563499	374.411	NPHCRTDOLREODB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111925
CCOC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc2c1CCC2	CoCoCo_3031123,EMOLS-id_3374931,PC-id_2568416,CHEMBL1565270,ZINC22_3448232,ChEMBL-DNDi_CHEMBL1565270,MCULE-7105200725	374.411	IVOFEIRPLNUMTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111926
COc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3035353,MCULE-6708508375,PC-id_7485510,EMOLS-id_43762510,ZINC22_5078889	374.411	LOIPUKGFBPADKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111927
COc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_6486673,EMOLS-id_33967261,PC-id_45682296,MCULE-7360136697	374.411	KNZIMZSZGOXAFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111928
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6055445,MCULE-1997476571,PC-id_4803131,EMOLS-id_3463196,CoCoCo_3044987	374.411	JMOKLWDIGCALGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111929
COC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	MCULE-4052129817,ZINC22_31677813,PC-id_38901703,EMOLS-id_48205306	374.411	ZUQRKYNMQPTHSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111930
COC(=O)c1c(NC(=O)NCc2ccc(cc2)C(=O)O)sc2c1CCC2	PC-id_122087693	374.411	CDOFYWXIKVLRRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111931
NC(=O)c1c(NC(=O)COC(=O)c2ccc(CO)cc2)sc2c1CCC2	EMOLS-id_33329568,MCULE-5614828229,ZINC22_6225509,PC-id_4026836	374.411	GDERSUYMOURPPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111932
NC(=O)c1c(NC(=O)COC(=O)COc2ccccc2)sc2c1CCC2	EMOLS-id_3225875,ZINC22_6459862,PC-id_3641213,MCULE-9225075431,CoCoCo_2910370	374.411	GMCNEMKBEXIPFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111933
s1c2CCCc2cc1C(=O)NN=Cc1c(c(OC)c(OC)cc1)C(=O)O	PC-id_84889479	374.411	UGYFYWOCKNCFHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111934
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(c(ccc1[N+](=O)[O-])C)C	PC-id_7291816	374.411	MLYNGQGGENNFCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111935
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(c(c1)C)C	PC-id_7623923	374.411	BFRZBOKXJRLZFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111936
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)Nc1ccc(OC)cc1	PC-id_16505655	374.411	IUIFVDNDDDDRTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111937
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_7521436	374.411	JKMSNFRJAIWFTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111938
s1c2c(CCC2)c(c1NC(=O)c1cc(OC)ccc1)C(=O)NC(=O)OC	PC-id_7521435	374.411	XXBBJRKGLCFTBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111939
s1c2c(CCC2)c(c1NC(=O)c1c(OC)cccc1)C(=O)NC(=O)OC	PC-id_7521471	374.411	OHKSDUANKVARDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111940
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(O)cc1)C)C(=O)N	PC-id_37289577	374.411	NRPPSUKOQWLOQH-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111941
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(O)cc1)C)C(=O)N	PC-id_37289578	374.411	NRPPSUKOQWLOQH-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-111942
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(O)ccc1)C)C(=O)N	PC-id_37289903	374.411	PWKPHGNWWYRSFY-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111943
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(O)ccc1)C)C(=O)N	PC-id_37289904	374.411	PWKPHGNWWYRSFY-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-111944
s1c2c(CCC2)c(c1NC(=O)COc1c(cccc1)C(=O)N)C(=O)OC	PC-id_16501991	374.411	DVFZZQHFAZGAGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111945
s1c2c(CCC2)c(c1NC(=O)COc1ccccc1)C(=O)NC(=O)OC	PC-id_7521489	374.411	TTWWONAWCUMRLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111946
s1c2c(CCC2)c(c1NC(=O)COc1cc(ccc1)C(=O)OC)C(=O)N	PC-id_52328836	374.411	UOZANSYKDPDQCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111947
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C=O)C(=O)N	PC-id_38899487	374.411	RKWAWBOZPUFFDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111948
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(ccc1O)C)C(=O)N	PC-id_8958555	374.411	PUMWEUZYDOLUNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111949
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cccnc1)C(=O)OCC	PC-id_9413464	374.411	KWYBRGMDHGJQEL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111950
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(O)cc1)C)C(=O)N	PC-id_74656467	374.411	NRPPSUKOQWLOQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111951
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccncc1)C(=O)OCC	PC-id_2625918	374.411	VWKBDBLIKRSCEE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-111952
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(O)c(cc1)C)C(=O)N	PC-id_33281854	374.411	FXPBLVGSXOLBRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111953
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(O)ccc1)C)C(=O)N	PC-id_74656481	374.411	PWKPHGNWWYRSFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111954
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1oc(cc1)C)C(=O)N	PC-id_3374658	374.411	WLPPXLMMMKPJMU-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-111955
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1oc(cc1)C)C(=O)N	PC-id_5807610	374.411	WLPPXLMMMKPJMU-BQYQJAHWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-111956
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](O)c1ccccc1)C(=O)N	PC-id_7821489	374.411	GQFVZFHRTBUWFS-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111957
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](O)c1ccccc1)C(=O)N	PC-id_7821492	374.411	GQFVZFHRTBUWFS-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111958
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(O)c1ccccc1)C(=O)N	PC-id_78548173	374.411	GQFVZFHRTBUWFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111959
C=Cc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C)F	PC-id_59334007,SCHEMBL3331304	374.413	FVNITNUSMVCPEI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-111960
CCCCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)Cc1cccc(c1)F	PC-id_70019700,SCHEMBL7200164	374.413	SVQYPVHQZGBMCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111961
CCCCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)Cc1ccc(cc1)F	SCHEMBL3140421,PC-id_68526348	374.413	HQZPKEIJQDQJFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111962
CC(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)F	PC-id_134790969	374.413	TVFCPRNGJHRSJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111963
Fc1ccc(cc1)Cn1ncc2c1CN(C2)Cc1nnn(c1)c1ccccc1	PC-id_56891411,MCULE-6829155957,EMOLS-id_43095393	374.414	HFFSYLWWEYOXSN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-111964
N1(Cc2ccco2)C(=O)[C@@H](NC1=O)CCC(=O)Nc1sc2c(CCC2)n1	STOCK7S-50765,MCULE-5014590662,ZINC22_170625609,EMOLS-id_50232364	374.414	RCJZIRRCLKTOGX-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-111965
N1(Cc2ccco2)C(=O)C(N=C1O)CCC(=O)Nc1sc2c(CCC2)n1	MCULE-9229817282,EMOLS-id_54883980,PC-id_91640792,EMOLS-id_301193140	374.414	RCJZIRRCLKTOGX-UHFFFAOYSA-N	00000011101000000001000010000000000000000000000000000000	25-01-111966
O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1nc2c(s1)CCC2	ZINC22_252549289	374.414	RCJZIRRCLKTOGX-GFCCVEGCSA-N	00000011101000000001000010000000000000000000000000000000	25-01-111967
O=C(Nc1nc2c(s1)CCC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	EMOLS-id_11985142,PC-id_17429600,MCULE-2719241978,CoCoCo_4163999,ZINC22_8720835	374.414	XKXFJSPXKDBKEL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111968
O=C(Nc1nc2c(s1)CCC2)c1cc([N+](=O)[O-])ccc1N1CCOCC1	PC-id_17402521,ZINC22_9368306,CoCoCo_4164175,MCULE-7361435642,EMOLS-id_11917483	374.414	XSPWBDZUKARBOI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-111969
s1c2CCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1	PC-id_24414305	374.414	HOCRPZHMBMANJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111970
s1c2c(CCC2)c(c1NC(=O)[C@@H](Nc1cc([N+](=O)[O-])ccc1)C)C(=O)N	PC-id_9274311	374.414	AIZVIUSTXRPJIH-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-111971
s1c2c(CCC2)c(c1NC(=O)[C@H](Nc1cc([N+](=O)[O-])ccc1)C)C(=O)N	PC-id_9274314	374.414	AIZVIUSTXRPJIH-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111972
s1c2c(CCC2)c(c1NC(=O)C(Nc1cc([N+](=O)[O-])ccc1)C)C(=O)N	PC-id_84968513	374.414	AIZVIUSTXRPJIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111973
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCC(=O)N	PC-id_16947966	374.414	XOZHAKCPPDCLAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111974
COCCNc1ccc(c(c1)C)N=C1C(=Nn2c1nnc2SC)C(=O)O	SCHEMBL14342441	374.418	AJSCWFMDLGEXHA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-111975
S(c1n2N=C(/C(=N/c3c(cc(NCCOC)cc3)C)/c2nn1)C(=O)O)C	PC-id_58776974	374.418	AJSCWFMDLGEXHA-PDGQHHTCSA-N	00000011100000110001000010000000000000000000000000000000	25-01-111976
Cc1nnc2n1N=C(C2=NNc1n[nH]c(c1S(=O)(=O)C)C(=C)C)C(=C)C	PC-id_89429342	374.421	TUQNPNKVRBGKNJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-111977
Brc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)Cl	EMOLS-id_316646948	376.657	HXMNEZYKRGLQOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113314
C[C@@H]1C[C@@H](NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2nccn12	ZINC22_516850304	374.428	HZBHPIWQVUXUNT-CXAGYDPISA-N	00000010100010110001000010000000000000000000000000000000	25-01-111978
C[C@@H]1C[C@H](NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2nccn12	ZINC22_516850305	374.428	HZBHPIWQVUXUNT-DYVFJYSZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111979
C[C@H]1C[C@H](NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2nccn12	ZINC22_516850306	374.428	HZBHPIWQVUXUNT-GUYCJALGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111980
C[C@H]1C[C@@H](NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2nccn12	ZINC22_516850307	374.428	HZBHPIWQVUXUNT-SUMWQHHRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111981
O=C(N1CCC(CC1)Cc1cccc(c1F)F)NC1CC(n2c1ncc2)C	EMOLS-id_316173358,MCULE-2842047972	374.428	HZBHPIWQVUXUNT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111982
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Nc1c(F)cccc1F	PC-id_92109983	374.428	JPSLBHSRULJORW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-111983
c1(NC(=O)CCC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329307,MCULE-8249053690	374.429	ABDXFIWFUGJTGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111984
O=C(c1c(sc2c1CCC2)NC(=O)c1ccccc1F)N1CCOCC1	PC-id_1253174,CoCoCo_6383545	374.429	DIUXXVAFGDCBRG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-111985
c1(NC(=O)C2CC2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	ZINC22_23139592,PC-id_30862812,MCULE-6276897931,EMOLS-id_24913591,CoCoCo_5277796	374.432	COIOQHPGVGDKBS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-111986
Cc1ccc(cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	MCULE-6628234278,EMOLS-id_328218747	374.432	PPTVOIMYTJGEDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111987
Cc1cccc(C(=O)O)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3286609489,EMOLS-id_328222064	374.432	XZESZXRXRKVCKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111988
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)C(=O)O	MCULE-5966723133,EMOLS-id_328224114	374.432	POONWDQNOYRJGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111989
CCOc1ccc(cc1)NCC1Cn2c(C1=O)ccc2C(=O)c1ccccc1	SCHEMBL8829570,PC-id_54008834	374.432	KQVPULXEBXLIBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111990
CCOc1ccccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31548258,MCULE-2655685529,PC-id_46861280	374.432	YTMIPSBAKGMMEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111991
CCOc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340410,ZINC22_51364459	374.432	YTMIPSBAKGMMEW-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111992
CCOc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340411,ZINC22_51364460	374.432	YTMIPSBAKGMMEW-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111993
CCOc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	EMOLS-id_31548260,PC-id_46861281,MCULE-5610737470	374.432	TZWNUMSFCFRMCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111994
CCOc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340412,ZINC22_51364461	374.432	TZWNUMSFCFRMCT-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111995
CCOc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364462,PC-id_52340413	374.432	TZWNUMSFCFRMCT-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-111996
CN(C(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(cc1)C(=O)O	MCULE-2255348483,EMOLS-id_328336542	374.432	SNLFNHAODHZYJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111997
COc1ccccc1CNC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364587	374.432	VYSCPECPJWPDEM-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111998
COc1ccccc1CNC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364588	374.432	VYSCPECPJWPDEM-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-111999
COc1ccc(C)cc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31548274,MCULE-7411738860,PC-id_46861288	374.432	BGOJSALRZWUDGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112000
COc1ccc(C)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340427,ZINC22_51364476	374.432	BGOJSALRZWUDGR-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112001
COc1ccc(C)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364475,PC-id_52340426	374.432	BGOJSALRZWUDGR-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112002
COc1cccc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	EMOLS-id_31548388,PC-id_46861345,MCULE-6681191070	374.432	ZVGYGIFADXBFAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112003
COc1ccc(C)c(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	PC-id_46861289,EMOLS-id_31548276,MCULE-2721063033	374.432	JELNZYBLCNFHKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112004
COc1ccc(C)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340428,ZINC22_51364477	374.432	JELNZYBLCNFHKY-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112005
COc1ccc(C)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340429,ZINC22_51364478	374.432	JELNZYBLCNFHKY-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112006
COc1cccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340538,ZINC22_51364589	374.432	ZVGYGIFADXBFAG-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112007
COc1cccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340539,ZINC22_51364590	374.432	ZVGYGIFADXBFAG-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-112008
COC(=O)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328216947,MCULE-5887554022	374.432	XOEFLRVWBNILOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112009
COC(=O)c1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-2035266516,EMOLS-id_328221554	374.432	SPUPBUGKRMMHSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112010
COC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328219259,MCULE-5687089724	374.432	YCMCIYRDJRUGOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112011
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)CC(=O)O	EMOLS-id_328216692,MCULE-3716176933	374.432	BEVLLWWKFYZKJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112012
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(c1)CC(=O)O	EMOLS-id_328220543,MCULE-4125873470	374.432	PYHDBXCWPSTUMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112013
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1CC(=O)O	EMOLS-id_328220784,MCULE-8169760553	374.432	GRZVEQDSNBGHAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112014
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccc(cc1)C(=O)O	EMOLS-id_328215156,MCULE-6586331357	374.432	ZPQXITAZPRFWKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112015
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N[C@@H](c1ccccc1)C(=O)O	EMOLS-id_328215664,MCULE-4059223061	374.432	WNRBUOXRDMHDHG-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112016
O=C(NCc1ccc(OC)cc1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_11337806	374.432	QTRUYTBGEYLLNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112017
O=C(NCc1c(OC)cccc1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861344	374.432	VYSCPECPJWPDEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112018
S1Cc2c(nn(c2NC(=O)C=CC)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053667	374.432	RLGIHEZUALYQJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112019
c1(NC(=O)c2noc(c3cccs3)c2)sc2c(CCC2)c1C(=O)OC	CoCoCo_2254794,EMOLS-id_8858602,ZINC22_2803062,PC-id_4777518,MCULE-1728070215,TIMTEC24779	374.434	AAHMFLROHLROAP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-112020
O(c1cc(C(=O)NCc2n3CCCc3nn2)cc(OCC)c1OCC)CC	PC-id_52024777	374.434	RVZSWOREMZNBKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112021
s1c2c(CCC2)c(c1NC(=O)C[n+]1cc(ccc1)C(=O)N)C(=O)OCC	PC-id_8831576	374.434	LCKLYFQZVWOOAU-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-112022
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cccc(C)c1	MCULE-2954036053	374.436	UQQMQIGIFRIHAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112023
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cccc(C)c1	MCULE-1508021090,EMOLS-id_316253686	374.436	UQQMQIGIFRIHAM-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112024
Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nnc3n2CCC3)cc1C	CoCoCo_4651291,EMOLS-id_24490948,MCULE-1190799400,PC-id_40142285,ZINC22_32905799	374.436	IIJVVYCMWMZQRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112025
CC(c1ccccc1)N1Cc2c(C1)n[nH]c2NC(=O)c1ccc(cc1)C(=O)C	PC-id_68440636,SCHEMBL2918518	374.436	GVJRCEBIUHHKQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112026
CC(N1Cc2c(C1)n[nH]c2NC(=O)c1ccccc1C(=O)C)c1ccccc1	SCHEMBL2917698,PC-id_68440403	374.436	OKGPAWIMCJKWFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112027
CC(=O)c1ccccc1C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91446746	374.436	DRRVJLYOXYNWCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112028
CC(=O)c1ccc(cc1)C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91531377	374.436	GNPWACNXOJZURY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112029
COc1ccccc1/C=C(/c1ccccc1)C(=O)NCc1nnc2n1CCC2	CoCoCo_4666324	374.436	MLLMZGQQSSVFOJ-JXAWBTAJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112030
COc1ccccc1C=C(c1ccccc1)C(=O)NCc1nnc2n1CCC2	EMOLS-id_26237402,MCULE-8383763983,PC-id_72055301	374.436	MLLMZGQQSSVFOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112031
COc1ccccc1/C=C(/C(=O)NCc1nnc2n1CCC2)c1ccccc1	CoCoCo_4666323,ZINC22_32907980,PC-id_40144579	374.436	MLLMZGQQSSVFOJ-NBVRZTHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112032
O=C(c1ccccc1C(=O)C)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2917702,PC-id_68440404	374.436	OMDDPKLZYLBJCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112033
O=C(c1ccc(cc1)C(=O)C)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2918524,PC-id_68440640	374.436	POXMNTOOUCEWSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112034
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)CCC(=O)c1ccccc1	SCHEMBL2918947,PC-id_68440769	374.436	LKNLMPBTZGEVBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112035
O=C(NCc1n2CCCc2nn1)c1c(C(=O)c2c(ccc(c2)C)C)cccc1	PC-id_17448007	374.436	AYLBHDHLFXUWNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112036
O=C(N(Cc1n2CCCc2nn1)C)c1c(C(=O)c2ccc(cc2)C)cccc1	PC-id_52599195	374.436	ATXRZBIOFWQNQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112037
c1(NC(=O)c2csnn2)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_16454105,CoCoCo_2249736,MCULE-2590759716,EMOLS-id_2647491,TIMTEC375671,ZINC22_9250833	374.437	PERYJCCJAJZNNG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-112038
CCCCNc1n2CCCn2c(=O)c1/N=C/1C=C(OCCO)C(=N)C=C1N	SCHEMBL20430044	374.437	HVMCCKJUJYZZEU-VUVDQMFCSA-N	00000010100011000001000010000000000000000000000000000000	25-01-112039
CCOC(c1noc(n1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_99798791,MCULE-8723034577	374.437	QANXUYIMMGJSFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112040
CCO[C@H](C)c1noc(CN2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1	ZINC22_329778366	374.437	QANXUYIMMGJSFT-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112041
CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1	ZINC22_329778367	374.437	QANXUYIMMGJSFT-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112042
CN=C(NCc1nnc2n1CCC2)NCc1cc(OC)c(c(c1)OC)OC	PC-id_111020315	374.437	GMBOWYBAVMEAEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112043
O=C(C(n1nc(ccc1=O)c1cccs1)C)Nc1onc2c1CSC2	PC-id_121076690	374.437	PPTGGBAIJBUHTD-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-112044
s1c2CCCc2nc1NC(=O)Cc1nc(sc1)NC(=O)c1occc1	PC-id_33040004	374.437	BWCMCZGYXJCLNT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-112045
c1(CN2CCOCC2)nnnn1CCCC(=O)NCc1c2CCCc2[nH]n1	ZINC22_95520670,MCULE-5340237512,PC-id_72905545,EMOLS-id_48446926	374.441	GZWNXNBJTGNNPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112046
N#Cc1c(NC(=O)Cc2csc(n2)N2CCCC2=O)nc2n1CCS2	EMOLS-id_99353056	374.441	JBTKJZVVTNGNGB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-112047
NC(=O)c1c(NC(=O)Cn2nnc(c3cccs3)n2)sc2c1CCC2	CoCoCo_3944485,PC-id_17565056,ZINC22_14159993,MCULE-4215441398,EMOLS-id_13488576	374.441	BDARYGAYHJVUES-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-112048
O1[C@H](CN(C[C@H]1C)Cc1n(nnn1)CC(=O)NCc1n[nH]c2c1CCC2)C	PC-id_72866818	374.441	CHBAIJFVIYUBBV-TXEJJXNPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112049
O=C(Nc1sc2c(c1C(=O)N)CCC2)Cn1nnc(n1)c1ccsc1	CoCoCo_4137462,PC-id_9128115	374.441	VMXHKSMTFGHGKE-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-112050
S1CCn2c1nc(c2)CNC(=O)c1c(=O)[nH]c(nc1)c1nc(sc1)C	PC-id_72842542	374.441	VSXGDMFZNSIQLQ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-112051
n12CCCc1nnc2Cn1c(ncc1)c1c(cc(c(c1)Cn1ncnc1)C)C	PC-id_56877279	374.442	WSDIUBMPUVBCDA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112052
CC(C)(C)C(F)(F)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1214349047,EMOLS-id_328078240	374.447	XWDFVUQMYDYUEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112053
Fc1ccc(cc1)C1(CC1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215678,MCULE-7720373209	374.451	SOWZRBDHJLWSQX-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-112054
COC(=O)[C@H]1[C@@H](c2c(C1=O)ccs2)C=C(c1ccccc1)c1ccccc1	PC-id_135013310	374.452	BWAPRCJZPXKMNZ-PMACEKPBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112055
Fc1ccc(cc1)N1CCN(CC1)CCCCn1c(=O)n2c(c1O)CCC2	PC-id_54278934,BindingDB_PC-id_54278934	374.452	RPKOIJUATMPDCZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112056
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(F)c(OC)cc1)C)C#N	PC-id_9432005	374.452	CSDBSPOSYZXKHM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-112057
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)NC1CC1	MCULE-9676834334,TIMTEC587107,EMOLS-id_4051965,PC-id_17377053	374.454	ZAQVOIXDPXEAFA-UHFFFAOYSA-N	00100010100011000000000010000000000000000000000000000000	25-01-112058
c1(NC(=O)c2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)N	MCULE-3613603605,ZINC22_27924454,EMOLS-id_13109938,PC-id_35280863,CoCoCo_6400884	374.454	HSRXWEFIFFSSDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112059
c1(NC(=O)c2cc(OCC)cc(OCC)c2)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348512,PC-id_84418974,MCULE-1880776490	374.454	KBILXKTXFZFMAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112060
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329563,MCULE-2365557613	374.454	FUVBFAHCZDGPJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112061
c1(NC(=O)CCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)N	PC-id_19220670,EMOLS-id_181348348,MCULE-1339245494	374.454	AGZZXXJWKCEJQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112062
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6730450683	374.454	GGFWWDICBHTHIS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112063
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	MCULE-5241603214,EMOLS-id_181348345,PC-id_19175067	374.454	AMPIUNURDYCCEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112064
c1(NC(=O)COc2ccccc2OCC)sc2c(CCC2)c1C(=O)NC	MCULE-7447457612,EMOLS-id_334331608	374.454	YFYZVORPEMFKEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112065
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NC	MCULE-9921974479,EMOLS-id_334331356	374.454	ZUHKXTJARPQLJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112066
c1(sc2c(CCC2)c1C(=O)OC)NC(=O)N(CCO)Cc1ccccc1	EMOLS-id_4750400,PC-id_8072516,MCULE-7007743045,STOCK6S-17071,ZINC22_6760177	374.454	JJDLZGNSDMEJLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112067
CCOC(=O)c1c(NC(=O)C(N)Cc2ccc(O)cc2)sc2CCCc12	EMOLS-id_327969124,MCULE-3842444335	374.454	BXDDUWVXCDXTQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112068
COc1cc(NC(=O)c2cc3c(s2)CCC3)c(C(=O)N(C)C)cc1OC	PC-id_51113992,ZINC22_58355231,EMOLS-id_33346929,MCULE-9177986242	374.454	ZPVCSOIMDZOEJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112069
COC1CN(C1)c1ccc(cc1)C(Nc1sc2c(c1C(=O)O)CCC2)O	PC-id_139403850,SCHEMBL21260711	374.454	NWJMFNTZBYDCBX-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-112070
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2CCCc12	EMOLS-id_334391313	374.454	GGFWWDICBHTHIS-CMDGGOBGSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112071
COC(=O)c1c(NC(=O)CNc2ccc(C)cc2OC)sc2c1CCC2	MCULE-5239981966,EMOLS-id_48218854,ZINC22_55890478,PC-id_75416210	374.454	KPJGOFCPHRXRFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112072
O=C(NC1CC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832257,PC-id_27520414,ZINC22_17076636	374.454	ZAQVOIXDPXEAFA-RYUDHWBXSA-N	00100010100011000000000010000000000000000000000000000000	25-01-112073
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832258,PC-id_27520418,ZINC22_17076638	374.454	ZAQVOIXDPXEAFA-NEPJUHHUSA-N	00100010100011000000000010000000000000000000000000000000	25-01-112074
O=C(NC1CC1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27520412,ZINC22_17076635,CoCoCo_6832256	374.454	ZAQVOIXDPXEAFA-NWDGAFQWSA-N	00100010100011000000000010000000000000000000000000000000	25-01-112075
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27520416,ZINC22_17076637,CoCoCo_6832255	374.454	ZAQVOIXDPXEAFA-VXGBXAGGSA-N	00100010100011000000000010000000000000000000000000000000	25-01-112076
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OCC)c(OCC)cc1	PC-id_27684495	374.454	OUNLLQFFBRCTRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112077
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC(C)C)cc1	PC-id_9160707	374.454	RDNONUJQYPJIJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112078
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H](Oc1ccc(OCC)cc1)C	PC-id_9425089	374.454	OANMRPAJVNVTCG-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112079
s1c2CCCc2cc1C(=O)NNC(=O)[C@H](Oc1ccc(OCC)cc1)C	PC-id_9425090	374.454	OANMRPAJVNVTCG-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112080
s1c2CCCc2cc1C(=O)NNC(=O)C(Oc1ccc(OCC)cc1)C	PC-id_85006925	374.454	OANMRPAJVNVTCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112081
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(OC)cc1)C(=O)OCC	PC-id_55362227	374.454	WOPKFQHTJFWNFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112082
s1c2c(CCC2)c(c1NC(=O)CNc1c(OC)cccc1)C(=O)OCC	PC-id_9080577	374.454	KBZAYSLDNVJLCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112083
c1(NC(=O)c2cccc(c2)OCc2ccccc2)sc2c(CCC2)c1C#N	CoCoCo_856736,EMOLS-id_2181068,PC-id_1325769,MCULE-7066077578,ZINC22_1156304	374.456	SIYNSTHWDGHXFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112084
c1(NC(=O)c2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C#N	PC-id_4511426,EMOLS-id_322614625,MCULE-5718232423	374.456	XGFKZTOARSRZLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112085
c1(NC(=O)c2c(C)nc(c3ccc(cc3)F)s2)n(C)nc2CSCc12	ZINC22_604419509,MCULE-8918245154,EMOLS-id_188946746,STOCK7S-68703	374.456	BTAPRQPQGIZQEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112086
c1(NC(=O)Cc2csc(c3ccccc3F)n2)n(C)nc2CSCc12	MCULE-2487127967,PC-id_71704270,ZINC22_79495136,EMOLS-id_44214221,STOCK7S-35500	374.456	ZANKRRUELLCRFI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112087
c1(NC(=O)Cc2csc(c3ccc(cc3)F)n2)n(C)nc2CSCc12	PC-id_60179652,STOCK7S-26648,EMOLS-id_43035993,ZINC22_72402774,MCULE-5437004955	374.456	UKIQTXVMSQLNJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112088
CCC(CNc1[nH]nc2c1CN(C2)NC(=O)NCc1ccc(cc1)F)CC	SCHEMBL3257708,PC-id_68570347	374.456	GMXUMFRATRPQAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112089
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1cccc(c1)F)CC	PC-id_109475421	374.456	IJCCBMFDMRFJFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112090
c12SCCn1cc(CNC(=O)Nc1ccccc1OCC1CCCO1)n2	PC-id_118763278,MCULE-1063166918,EMOLS-id_68875024	374.457	CHYLTUDXHLJHSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112091
c1(C(=O)Nc2cccc(c2)S(=O)(=O)N2CCCC2)c2CCCc2n(C)n1	PC-id_84467193,EMOLS-id_320481290,MCULE-4743158242	374.457	IKJCFAAZKHWFBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112092
c1(NC(=O)c2ccccc2C)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138975,PC-id_30862294,MCULE-9700527583,CoCoCo_5277579,EMOLS-id_24913289	374.457	SPVHDLRORRHLMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112093
c1(NC(=O)c2cnc(cn2)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386718,MCULE-2705371091	374.457	ZLPMGQDRONFDSS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112094
c1(NC(=O)COC)c2CSCc2nn1CC(=O)NCCc1ccccc1	PC-id_30862869,CoCoCo_5277819,EMOLS-id_24913631,MCULE-1483979953,ZINC22_23139652	374.457	MYSWELCTPFUYTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112095
Cc1cccc(c1C(=O)N1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100457086	374.457	FBNIDRHFDSJURI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112096
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2CCCc12	MCULE-6846977897,EMOLS-id_110313011	374.457	RFBYGWBBUGHIQS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112097
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)C1CCCC1)CNC2	SCHEMBL2918999,PC-id_68440789	374.457	NJVGCZYLZAKDCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112098
Cn1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2c(CCC2)n1	EMOLS-id_22760377,ZINC22_16848291,PC-id_27376620,CoCoCo_5272994,MCULE-8225688580	374.457	FGKBTESCSJPHFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112099
CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1c2CCCc2nn1C	ZINC22_23135736,EMOLS-id_24910446,CoCoCo_5273039,PC-id_30859168,MCULE-1538882609	374.457	FBIJIKGKJWWFMZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-112100
CN(Cc1n[nH]c2c1CCC2)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1	MCULE-1854160775,EMOLS-id_49898825,PC-id_77097200,ZINC22_216444302	374.457	LRJUGWQTBGJJSQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-112101
CNC(=O)c1cc(NC(=O)NCCc2nc3CCCc3s2)ccc1OC	MCULE-7989330053,ZINC22_426648227,EMOLS-id_82735747,PC-id_118789545	374.457	ZLPHSHZRDQODGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112102
O=C1CCCCN1Cc1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100969114	374.457	ZBHJCGNQZQFBIC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112103
O=C(C1CCCC1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68440791,SCHEMBL2919004	374.457	PBTPIFGDVWYLOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112104
O=C(C1CCCC1)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251763	374.457	VGOYMDIQLGSELR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112105
O=C(C1CCCC1)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2926958,PC-id_68443842	374.457	IELMXSUYJVHUJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112106
O=C(C1CCCC1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68440790,SCHEMBL2919002	374.457	ICMFRZJZCWMJKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112107
O=C(c1cccc(c1NS(=O)(=O)c1cnc2n1CCC2)C)N1CCCC1	EMOLS-id_100970758	374.457	XOUVBPXUGXLKOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112108
O=C(c1ccccc1NS(=O)(=O)c1cnc2n1CCC2)N1CCCCC1	EMOLS-id_100459460	374.457	XLEAQOTTWLIRJU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112109
O=C(c1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2)N1CCCCC1	EMOLS-id_100970785	374.457	ASHBRCHQLFXONC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112110
O=C(c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2)NC1CCCC1	EMOLS-id_100969129	374.457	TUIWQKXNGUAHHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112111
O=C(c1nn2c(c1)CCC2)N1CCCN(CC1)S(=O)(=O)c1ccccc1	EMOLS-id_101196615	374.457	MUFBVXNNJMVFJK-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-112112
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCn2nccc12	MCULE-8989287568,EMOLS-id_177243105,ZINC22_375555137	374.457	VWXNFZBDZUTJIY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112113
O=C(N1CCC(C1)Oc1cc(C)n(c(=O)c1)C)Cn1ncc2c1CSC2	PC-id_92080765	374.457	AKXCPDPPNSKJEQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-112114
O=C(NC1CCC1)c1cccc(c1)S(=O)(=O)NCc1n[nH]c2CCCc12	PC-id_72877168,MCULE-5565805712,EMOLS-id_48434798,ZINC22_95509242	374.457	ZFMYWLKCPBPEQO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-112115
O=C(NC1CCN(CC1)S(=O)(=O)c1ccccc1)c1n[nH]c2CCCc12	EMOLS-id_68884055,PC-id_118767348,ZINC22_299767180,MCULE-2610389198	374.457	HANOYXSCBGYVAQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112116
O=C(Nc1nc2c(s1)CCC2)C1CCN(C(=O)NCc2ccco2)CC1	EMOLS-id_27421460,ZINC22_32913683,PC-id_40150695,MCULE-1562288302,CoCoCo_4857885	374.457	HCUPVWVDUPYHCE-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-112117
O=C(NCc1cn2c(n1)SCC2)Nc1ccccc1OC[C@@H]1CCCO1	ZINC22_299767086	374.457	CHYLTUDXHLJHSS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112118
O=C(NCc1cn2c(n1)SCC2)Nc1ccccc1OC[C@H]1CCCO1	ZINC22_299767088	374.457	CHYLTUDXHLJHSS-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112119
OC(=O)CN1CCCC1c1ccc(s1)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_24852529,MCULE-8206989746,PC-id_45178083	374.457	QCJIVJVHVLRLCG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-112120
O=C(O)CN1CCC[C@H]1c1ccc(C(=O)NCc2n[nH]c3c2CCC3)s1	CoCoCo_1176832,CoCoCo_1176834,PC-id_30876792,ZINC22_23153392,CoCoCo_1176836,CoCoCo_1176838	374.457	QCJIVJVHVLRLCG-AWEZNQCLSA-N	00000010100100000001100010000000000000000000000000000000	25-01-112121
O=C(O)CN1CCC[C@@H]1c1ccc(C(=O)NCc2n[nH]c3c2CCC3)s1	ZINC22_23153391,CoCoCo_1176833,PC-id_30876790,CoCoCo_1176835,CoCoCo_1176831,CoCoCo_1176837	374.457	QCJIVJVHVLRLCG-CQSZACIVSA-N	00000010100100000001100010000000000000000000000000000000	25-01-112122
S1Cc2c(NC(=O)C3CCCC3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053254	374.457	KFBUXJNSSODRGE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-112123
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C)CC(=O)NCCOC)C1	PC-id_44052983	374.457	NWQYPEBPHQFAHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112124
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C)CC(=O)NCCOC)C1	PC-id_44052984	374.457	HGZANUQDQJDWPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112125
S1Cc2c(nn(c2NC(=O)c2ccc(OC)cc2)CC(=O)NCCC)C1	PC-id_44052876	374.457	KJALYULLQOBZAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112126
S1Cc2c(nn(c2NC(=O)c2cc(OC)ccc2)CC(=O)NCCC)C1	PC-id_44052875	374.457	OHICQGKCYMUSKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112127
S1Cc2c(nn(c2NC(=O)c2c(OC)cccc2)CC(=O)NCCC)C1	PC-id_44052874	374.457	KOHBPGMACNZVHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112128
S1Cc2c(nn(c2NC(=O)Cc2ccccc2)CC(=O)NCCOC)C1	PC-id_44053024	374.457	FVPJLZULMMFNSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112129
S1Cc2c(nn(c2NC(=O)CC)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053509	374.457	GNWOZYSTNAGVSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112130
S1Cc2c(nn(c2NC(=O)COc2ccccc2)CC(=O)NCCC)C1	PC-id_44052837	374.457	OIERIXHMVHUDBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112131
S1Cc2c(nn(c2NC(=O)COCC)CC(=O)NCc2ccccc2)C1	PC-id_44053389	374.457	RSYBCTIVBPJVCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112132
S1Cc2c(nn(c2NC(=O)OCC)CC(=O)NCCc2ccccc2)C1	PC-id_44053896	374.457	ICTWQMFTRHGMSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112133
c1(NC(=O)c2cnc(nc2C)c2ccc(cc2)C)sc2c(CCC2)c1C#N	MCULE-7788650678,EMOLS-id_322819880	374.459	ZJLPWCZGGDFJNN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112134
c1(NC(=O)c2cnc(nc2C)c2cccc(C)c2)sc2c(CCC2)c1C#N	MCULE-2161574360,EMOLS-id_322820136	374.459	JAXBHAYBVZHPTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112135
Cc1ccc(cc1)NC(=O)c1c(c(c2n1CCC2)C#N)N=Cc1cccs1	BindingDB_PC-id_137640952,PC-id_137640952	374.459	KBPSBAPMLMRGTN-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-112136
CN(C)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_45975520,ZINC22_26842118	374.459	AINIYOKYARQLTG-LQZBDKQGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112137
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)C=Cc1ccccc1	MCULE-8220184924	374.459	AINIYOKYARQLTG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112138
Cc1nnc2n1CC[C@]2(C)C(=O)N1CCC(C(=O)Nc2nccs2)CC1	ZINC22_2325789771	374.461	LSCDNAQEROXUHR-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112139
Cc1nnc2n1CC[C@@]2(C)C(=O)N1CCC(C(=O)Nc2nccs2)CC1	ZINC22_2325789772	374.461	LSCDNAQEROXUHR-QGZVFWFLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112140
CC(C)c1nnc(N2C[C@@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)s1	ZINC22_1857668215	374.461	NPIOPVNCVNGEGS-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-112141
CC(C)c1nnc(N2C[C@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)s1	ZINC22_1857668216	374.461	NPIOPVNCVNGEGS-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-112142
CC(C)c1nnc(s1)N1CC(CC1=O)C(=O)NCc1n[nH]c2CCCc12	PC-id_154563784,MCULE-7032273053,EMOLS-id_324156164	374.461	NPIOPVNCVNGEGS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-112143
N#Cc1c(NC(=O)C2CCCN(C2)C(=O)N2CCCC2)nc2n1CCS2	EMOLS-id_99355615	374.461	PRJUYDGOHDYFAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112144
N#Cc1c(NC(=O)C2CCN(CC2)C(=O)N2CCCC2)nc2n1CCS2	EMOLS-id_98898321	374.461	YTXKTFNZOLUWCU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112145
O=C(N1CCCN(CC1)C(=O)c1ccsc1)NCc1nnc2n1CCC2	EMOLS-id_97961011	374.461	DRVRNKOPIKQXKT-UHFFFAOYSA-N	00000010100100000101000010000000000000000000000000000000	25-01-112146
O=C(N1CCN(C(=O)C1)c1cnn(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003750	374.461	JJQUJLIUGCCDDO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112147
O=C(NC1CCN(C1=O)c1cnn(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002169	374.461	MYAQWZYMTVMBIV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-112148
CC#CCCC([C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	PC-id_70487925,SCHEMBL10993879	374.471	WAZGUAJBKPIOQT-FIELZCBUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112149
CC#CCCC([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	SCHEMBL10993887,PC-id_57139388	374.471	WAZGUAJBKPIOQT-KDGAUACUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112150
CC#CCC[C@@H]([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)O)O)C	SCHEMBL10993883,PC-id_70487926	374.471	WAZGUAJBKPIOQT-JQERWDHBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112151
CC(C)n1nc(CN2CCCCC2)c2c1CN(Cc1ccc(F)c(F)c1)C2	EMOLS-id_313736405,ZINC22_2055718338	374.471	AUEYEROUISXICF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112152
o1c2c(C(C(O)C2)C=CC(O)C(CCC#CC)C)cc1CCCCC(=O)O	PC-id_76634358	374.471	WAZGUAJBKPIOQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112153
COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1F	MCULE-9125916761,EMOLS-id_31402485,CoCoCo_3888214,PC-id_9471539,ZINC22_23761469	374.472	ZNXHAVBCLVJBEQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112154
COc1ccc(F)cc1CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1	MCULE-5834530977,ZINC22_24386259,EMOLS-id_25025247,PC-id_9501282,CoCoCo_3917604	374.472	ZAJDILKPKGEFAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112155
Fc1ccc(cc1)C(CN1CCC(CC1)CN1Cc2c(C1=O)scc2)O	PC-id_69371893,SCHEMBL5251180	374.472	ZOKMPSXAQYEVAW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-112156
OC(c1ccccc1F)CN1CCC(CC1)CN1Cc2c(C1=O)scc2	SCHEMBL5251175,PC-id_21078300	374.472	MIPICQYWBHQMGO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-112157
O[C@H](c1ccccc1F)CN1CCC(CC1)CN1Cc2c(C1=O)scc2	SCHEMBL5251177,PC-id_69370798	374.472	MIPICQYWBHQMGO-SFHVURJKSA-N	00000010100010110000000010000000000000000000000000000000	25-01-112158
Clc1ccc(c(c1)Br)CS(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316709363	376.657	TVPQIAUAVIAKCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113315
O=C(O)[C@H](c1ccccc1F)N1CCC(Cc2nc3c(s2)CCC3)CC1	ZINC22_903915889	374.472	FCXZMFHFGHSYMB-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-112159
O=C(O)[C@@H](c1ccccc1F)N1CCC(Cc2nc3c(s2)CCC3)CC1	ZINC22_903915913	374.472	FCXZMFHFGHSYMB-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112160
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)Cc2c1c(C#N)c([nH]2)CCCCC(=O)O)O	PC-id_102506071	374.474	SMZFQIMYRPUPLX-GWYJLYGZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112161
CCCCC[C@H](/C=C/[C@H]1[C@H](O)Cc2c1c(C#N)c([nH]2)CCCCC(=O)O)O	PC-id_102506072	374.474	SMZFQIMYRPUPLX-MMJUWHHVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112162
CCN(CCNC(=O)c1occ2c1CCC2)C(=O)C[C@H]1CC[C@@H](C2CC2)O1	ZINC22_2325794551	374.474	HBPTYEGAGYQKQG-AEFFLSMTSA-N	00100010100000000000100010000000000000000000000000000000	25-01-112163
CCN(CCNC(=O)c1occ2c1CCC2)C(=O)C[C@@H]1CC[C@H](C2CC2)O1	ZINC22_2325794552	374.474	HBPTYEGAGYQKQG-FUHWJXTLSA-N	00100010100000000000100010000000000000000000000000000000	25-01-112164
CCN(CCNC(=O)c1occ2c1CCC2)C(=O)C[C@H]1CC[C@H](C2CC2)O1	ZINC22_2325794553	374.474	HBPTYEGAGYQKQG-SJLPKXTDSA-N	00100010100000000000100010000000000000000000000000000000	25-01-112165
CCN(CCNC(=O)c1occ2c1CCC2)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1	ZINC22_2325794554	374.474	HBPTYEGAGYQKQG-WMZOPIPTSA-N	00100010100000000000100010000000000000000000000000000000	25-01-112166
CC(C[C@@H]1NC(=O)n2c1ccc2Cc1ccc(cc1)OCc1ccccc1)C	PC-id_101788068	374.475	SQGJXYYYOOQRHV-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112167
CC[C@@H](c1ccc2n1C(=O)N[C@H]2Cc1ccc(cc1)OCc1ccccc1)C	PC-id_101788069	374.475	IDRFCYKBFLGNBT-UWJYYQICSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112168
CC(C)(NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(O)cc1	MCULE-1533351141,EMOLS-id_328215422	374.475	FVVRGLCMHXTVSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112169
CCCOc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328223346,MCULE-8041020063	374.475	RMTCDBUQBKPTIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112170
CC(C)Oc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-4335254922,EMOLS-id_328221042	374.475	YWBJUSDISNEZQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112171
CC(C)(O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328220785,MCULE-4748100578	374.475	QGEVJTJJXBXFLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112172
CC(C)Oc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328221298,MCULE-1218775666	374.475	KCZBKOOXMLADNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112173
CCCOc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-1755396281,EMOLS-id_328223858	374.475	XMRFPIDXGNQQRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112174
COc1ccc(cc1)C(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213360,MCULE-9366554020	374.475	DNQRELIVDIYWEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112175
COc1ccc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328209535,MCULE-5213413682	374.475	UGTQQRFMPIGUNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112176
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CCO)Cc1ccccc1	MCULE-5466660984,EMOLS-id_328336283	374.475	LRBHDBLQNGBXIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112177
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N[C@@H](CO)Cc1ccccc1	EMOLS-id_328213618,MCULE-7453340489	374.475	JTARKXGUKJCGNJ-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112178
c12SCCn1cc(CNC(=O)N1CCCCCC1c1cccc(F)c1)n2	PC-id_119064576,EMOLS-id_82715985,MCULE-4164097901	374.476	FMBDPTQMYGTKON-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-112179
O=C(NCc1cn2c(n1)SCC2)N1CCCCC[C@H]1c1cccc(F)c1	ZINC22_426487863	374.476	FMBDPTQMYGTKON-KRWDZBQOSA-N	00000010100000110101100010000000000000000000000000000000	25-01-112180
O=C(NCc1cn2c(n1)SCC2)N1CCCCC[C@@H]1c1cccc(F)c1	ZINC22_426487866	374.476	FMBDPTQMYGTKON-QGZVFWFLSA-N	00000010100000110101100010000000000000000000000000000000	25-01-112181
c1(NC(=O)c2ccccc2S(=O)(=O)CCC)sc2c(CCC2)c1C#N	EMOLS-id_322824225,MCULE-9033557132	374.477	NZJMRYIKWIDOBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112182
c1(NC(=O)c2ccc(cc2)S(=O)(=O)CCC)sc2c(CCC2)c1C#N	EMOLS-id_322834871,MCULE-6938272158	374.477	GLJFQDFFOKXHEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112183
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)sc2c(CCC2)c1C#N	EMOLS-id_12046964,MCULE-8657975299,ZINC22_10253086,PC-id_18587035,CoCoCo_5191652	374.477	HBWFCXSJCPUVPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112184
c1(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C#N	CoCoCo_5189561,ZINC22_10218300,PC-id_18585733,MCULE-2707252181,EMOLS-id_5624170	374.477	XIAJZSAGKMIFLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112185
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_322818601,MCULE-1737663211	374.477	QWZXGNQVXNOPPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112186
c1(NC(=S)NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	ZINC22_632489,SPECS-id_AT-225/NB35814,MCULE-9407737905,EMOLS-id_646108,TIMTEC355561,STOCK1S-20992,SPECS-id_AJ-292/40164481,CoCoCo_3633704,PC-id_985522	374.477	OIGYXKOSKWLXIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112187
CCOC(=O)c1c(NC(=O)C[n+]2ccc(N(C)C)cc2)sc2c1CCC2	MCULE-5403173816,PC-id_8863533,ZINC22_7748698	374.477	IYILALSZHVHPDD-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-112188
s1c2CCCc2c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C#N	PC-id_41148568	374.477	YSUTUVFMRJUGJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112189
s1c2CCCc2c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C#N	PC-id_41147875	374.477	GQGUMHLRMHRXPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112190
s1c2CCCc2c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C#N	PC-id_41582829	374.477	PPUZONOJAQMZKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112191
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(OC)cc1)C)C(=O)N	PC-id_8778430	374.477	SMGOJGBQORAUOK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-112192
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(OC)ccc1)C)C(=O)N	PC-id_8794899	374.477	CNOBGDDOKMIZBA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-112193
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCOc1ccccc1)C)C(=O)N	PC-id_8798017	374.477	VMJHNHDSYYGDQK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-112194
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc(c(c1)C)CC)C#N	PC-id_7972790	374.477	BBLIPHIZFYNGNI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-112195
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc(c(CC)c1)C)C#N	PC-id_7801024	374.477	WYTBTVPUGDLRDP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-112196
s1c2CCCc2c(c1NC(=O)COC(=O)CCCc1sccc1)C#N	PC-id_7962568	374.477	QBNVIWOVXAQVOC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-112197
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)C)C(=O)OC	PC-id_20414127	374.477	NTXSKKIVTCIDEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112198
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)C)C(=O)OC	PC-id_20414160	374.477	CDLVPSPEWVVUCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112199
Fc1ccc(cc1)N1CCN(CC1)C(=NCCc1cn2c(n1)SCC2)N	PC-id_120363208	374.479	JSPVDOQCOCJTPV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112200
O=S(=O)(c1cnc2n1CCC2)N1CCCC(C1)N1CCCS1(=O)=O	EMOLS-id_100854735	374.479	IYTVSAQRTIGNEV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112201
s1c2CCCc2c(c1NC(=O)C[n+]1ccc(Cc2ccccc2)cc1)C#N	PC-id_8859618	374.479	QPEGDAOYRAYMJN-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-112202
c1(NC(=O)CSc2nc(CCC)cc(=O)[nH]2)sc2c(CCC2)c1C#N	SPECS-id_AS-871/43478019,PC-id_135496625,EMOLS-id_13131313,CoCoCo_2965897,CoCoCo_2965898,MCULE-5726323651,CoCoCo_2965899,ZINC22_9645423	374.48	YARPGMCVOVAWLP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112203
CC(C)c1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCC2)C#N	PC-id_136684908	374.48	JGVVXGVJAKUYFO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112204
n12CCCc1nnc2CNC(=O)CC1C(=O)NCCN1CC1CCCCC1	EMOLS-id_20701105,MCULE-7230523450,PC-id_45240836	374.48	ZFHUPZOUIQSEFQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112205
O=C(C1CC1C(=O)Nc1sc2c(n1)CCC2)Nc1sc2c(n1)CCC2	EMOLS-id_27420428,MCULE-9854617345,PC-id_42958900	374.48	DLNWIMRTWOXIRW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-112206
O=C(N1CCN(CC1)C(C(=O)N1CCCC1)C)NC1CC(n2c1ncc2)C	EMOLS-id_101418657	374.48	NGWRAJILOXKODD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112207
O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4855057,PC-id_40149091,ZINC22_32912232	374.48	DLNWIMRTWOXIRW-RKDXNWHRSA-N	00100010100000000001000010000000000000000000000000000000	25-01-112208
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCC2	PC-id_40149089,CoCoCo_4855056,ZINC22_32912230	374.48	DLNWIMRTWOXIRW-DTORHVGOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-112209
O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCC2	PC-id_40149090,CoCoCo_4855055,ZINC22_32912231	374.48	DLNWIMRTWOXIRW-IUCAKERBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-112210
O=C(C[C@H]1C(=O)NCCN1CC1CCCCC1)NCc1nnc2n1CCC2	CoCoCo_1571924,ZINC22_20534537,CoCoCo_1571926	374.481	ZFHUPZOUIQSEFQ-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112211
O=C(C[C@@H]1C(=O)NCCN1CC1CCCCC1)NCc1nnc2n1CCC2	CoCoCo_1571925,CoCoCo_1571927,ZINC22_20534540	374.481	ZFHUPZOUIQSEFQ-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112212
O=C(N1CCN(CC1)CC(=O)N1CCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101581131	374.481	BSBICIOVNCWFFL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112213
O=C(NC(c1nnc2n1CCC2)C)NC1CCCN(C1=O)C1CCCCC1	EMOLS-id_97686355	374.481	WTJCXQBQPXCQIU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112214
CN=C(NCc1nnc2n1CCC2)NCC(c1ccccc1)c1ccccc1	PC-id_111020447	374.482	PNDNPZZTTIDHED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112215
Cc1csc(N2CCC(C(=O)Nc3nc4n(c3C#N)CCS4)CC2)n1	ZINC22_329589262,EMOLS-id_99349285,MCULE-4000926359,PC-id_136526502	374.484	XZAWNBMTXRKDOK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112216
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1C1CCC1	MCULE-6637130848,EMOLS-id_335792532	374.484	AYVQIHFNAUPCHB-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-112217
N#Cc1c(NC(=O)CCN(CC2CCN(C2)C(=O)C)C)sc2c1CCC2	EMOLS-id_98043792	374.5	WQDKSDCTDOGWJK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112239
N#Cc1c(NC(=O)CSc2nnnn2C2CCCC2)sc2c1CCC2	EMOLS-id_11715839,PC-id_9207066,MCULE-4746338004,CoCoCo_4238384,ZINC22_8074331	374.484	CUYHYYJCROBHIC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-112218
s1c2c(c(CN3CC[NH+](CC3)C)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_28457448	374.495	YQPWBCYGLUIESZ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-112219
s1c2c(c(CN3CC[NH+](CC3)C)c1NC(=O)c1c(F)cccc1)CCC2	PC-id_51617737	374.495	LCVKDTPMRKJMAU-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-112220
c1(NC(=O)CCCCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7374864780,EMOLS-id_334340516	374.497	OQBFNMUHLLUVHO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112221
CCC(=O)N1CCCC(C1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170353	374.497	VUYFBKJTOKVZNJ-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-112222
CCCSc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2(CC)C(=O)O	PC-id_70410306,SCHEMBL10640899	374.497	WIPRFNIYFLUJAG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112223
CCCSc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)OCC	SCHEMBL10641381,PC-id_70410418	374.497	MCGWDJSNCVNEJM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112224
s1c2CCCc2c(c1NC(=O)COC(=O)CCCC1CCCCC1)C#N	PC-id_7554804	374.497	CJWRSBPOMVETRP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112225
s1c2CN(Cc2cc1C(=O)NC(c1c(OC)ccc(OC)c1)C)C(C)C	PC-id_53171049	374.497	DQBQNPHYDYXDOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112226
Cc1cc(ccc1NS(=O)(=O)c1cnc2n1CCC2)N1CCCCCC1	EMOLS-id_98551797	374.5	SWROOMFBWHBMLV-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-112227
CC1CCCCN1c1ccc(c(c1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97700018	374.5	IELKGIKNBLAMTO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112228
CC1CCCN(C1)Cc1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705316	374.5	BNCLJZYCWRVBME-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112229
CC1CCN(CC1)Cc1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97705313	374.5	FKMDPTSPTMZVEZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112230
CC1(C)CN(CCN1Cc1ccccc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100224691	374.5	CPGRTUIFKXIWFF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112231
CC1CCN(CCN1Cc1ccccc1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100235659	374.5	GSYWTBNDKSMBOF-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-112232
CC1CN(CCCN1S(=O)(=O)c1cnc2n1CCC2)Cc1ccccc1	EMOLS-id_100180613	374.5	UJSFWVMSOLCFQK-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-112233
CC1CN(CCN(C1)S(=O)(=O)c1cnc2n1CCC2)Cc1ccccc1	EMOLS-id_101309452	374.5	FQGVZZDAIQNFPN-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-112234
Cc1csc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)c1	EMOLS-id_313734100,ZINC22_1565554291	374.5	WQLOFANVGSHJKG-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-112235
CC(C)CC(C(=O)N(C)Cc1n[nH]c2c1CCC2)NC(=O)c1cccs1	PC-id_135120357	374.5	QKFJBRNSFZKHHM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-112236
CCCN1CCCN(CC1=O)C(C(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_100067778	374.5	HPCIADZPVYJLKY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-112237
CCC(=O)N1CCCN(CC1)CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_87021878	374.5	IADYUXNVOGAIJC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-112238
N#Cc1c(NC(=O)C(N(CC2CCN(C2)C(=O)C)C)C)sc2c1CCC2	EMOLS-id_98042682	374.5	SDKMYBFTAYISBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112240
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)Cc1noc(n1)C(C)(C)C	EMOLS-id_99421765	374.5	QFXKOIGPXGVTQP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112241
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)CNC(=O)C)C#N	PC-id_55842867	374.5	GVKUIPBTOCVVMZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112242
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(N(C)C(=O)C)CC1)C#N	PC-id_60254119	374.5	JKYAQGBQKVCIHU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112243
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)C(C)C)C#N	PC-id_46563128	374.5	DALBAQQJRCHOCH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112244
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1ccc(C2CCCCC2)cc1	PC-id_16588372	374.5	NPCGFCIGPUSGMB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112245
S(=O)(=O)(NC(C1=NCc2n1nc(c2)C)C)c1cc(CCCC)ccc1C	PC-id_21336041	374.5	VDNCTROURFDWBZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-112246
O=C(N1CCN(CC1)Cc1cnn(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002025	374.504	GNPSRFVHZHJGPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112247
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)c1[nH]nc(c1)C	EMOLS-id_102007269	374.504	DBISWUIQMOPDJP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112248
s1c(nnc1NN=C1C(=Nn2c1nnc2C(C)C)C(C)(C)C)C(C)(C)C	PC-id_59863516	374.507	ZKFYSONCMWBQAO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-112249
s1c(nnc1N/N=C/1C(=Nn2nc(nc12)C(C)C)C(C)(C)C)C(C)(C)C	PC-id_59702983	374.507	HTASOEWWJDSIEG-VXLYETTFSA-N	00000011100000000001000010000000000000000000000000000000	25-01-112250
s1c(nnc1NN=C1C(=Nn2nc(nc12)C(C)C)C(C)(C)C)C(C)(C)C	PC-id_59703022	374.507	HTASOEWWJDSIEG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-112251
s1nc(nc1NN=C1C(=Nn2nc(nc12)C(C)C)C(C)(C)C)C(C)(C)C	PC-id_59702991	374.507	OJMRDXVICAEESF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-112252
O=C(OC(C)(C)C)N[C@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_70952448,SCHEMBL13622653	374.519	JWQJKQURWXRKTK-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112253
O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL8036660,PC-id_58799616	374.519	JWQJKQURWXRKTK-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112254
S1(=O)(=O)N(CC(NC(=O)OC(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_72427703	374.519	JWQJKQURWXRKTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112255
c1(NC(=O)CCCSc2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBLF2812-0992,MCULE-5455241350,CoCoCo_2590322,ZINC22_15822875,PC-id_22582904,EMOLS-id_16349215	374.52	QVTKIBTXBKLAOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112256
c1(NC(=S)Nc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OC	TIMTEC578257,EMOLS-id_4052177,MCULE-5247180598,PC-id_3300691,CoCoCo_6800618,ZINC22_5944968	374.52	YQTZBZRDYAYFMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112257
CSC(CCC(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2)C	EMOLS-id_320355388,MCULE-1834095801,PC-id_145893306	374.52	DLMFCNMJQONBTN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-112258
CSC(CCC(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2)C	PC-id_145894459,EMOLS-id_320343876,MCULE-5007264805	374.52	QSKITOIFOHEOBI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-112259
CS[C@H](C)CCC(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2	ZINC22_470040555	374.52	DLMFCNMJQONBTN-GFCCVEGCSA-N	00000010100000101000000010000000000000000000000000000000	25-01-112260
CS[C@@H](C)CCC(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2	ZINC22_470040556	374.52	DLMFCNMJQONBTN-LBPRGKRZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-112261
CS[C@H](C)CCC(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	ZINC22_484315681	374.52	QSKITOIFOHEOBI-GFCCVEGCSA-N	00000010100000101000000010000000000000000000000000000000	25-01-112262
CS[C@@H](C)CCC(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	ZINC22_484315682	374.52	QSKITOIFOHEOBI-LBPRGKRZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-112263
O=C(N1CCC(C(C1)C1CCCC1)NC1CCn2c1ncc2)OC(C)(C)C	EMOLS-id_316587239	374.52	UXDLUZYHIQDHDF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112264
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)N	PC-id_16838747	374.52	KXMNSXXBUUIHIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112265
s1c2c(CCC2)c(c1NC(=O)CCCSCc1ccccc1)C(=O)N	PC-id_41580246	374.52	LPFDAUBQQLOVIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112266
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1c(cc(cc1)C)C)C)C(=O)N	PC-id_8734741	374.52	GWHAQHMGHHFIAJ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112267
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1c(cc(cc1)C)C)C)C(=O)N	PC-id_8734742	374.52	GWHAQHMGHHFIAJ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112268
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1cc(c(cc1)C)C)C)C(=O)N	PC-id_8736881	374.52	ZWIACWXJYDASKB-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112269
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1cc(c(cc1)C)C)C)C(=O)N	PC-id_8736883	374.52	ZWIACWXJYDASKB-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112270
s1c2c(CCC2)c(c1NC(=O)[C@@H](SCc1c(cccc1)C)C)C(=O)N	PC-id_8972317	374.52	FKGXGZZSZXSROK-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112271
s1c2c(CCC2)c(c1NC(=O)[C@H](SCc1c(cccc1)C)C)C(=O)N	PC-id_8972321	374.52	FKGXGZZSZXSROK-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112272
s1c2c(CCC2)c(c1NC(=O)CSc1c(cc(cc1C)C)C)C(=O)N	PC-id_24499000	374.52	LKRRPXZXWACDBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112273
s1c2c(CCC2)c(c1NC(=O)C(Sc1c(cc(cc1)C)C)C)C(=O)N	PC-id_84824794	374.52	GWHAQHMGHHFIAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112274
s1c2c(CCC2)c(c1NC(=O)C(Sc1cc(c(cc1)C)C)C)C(=O)N	PC-id_84825577	374.52	ZWIACWXJYDASKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112275
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(C(C)C)cc1)C(=O)N	PC-id_35062966	374.52	QHVYTQKSNPMTFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112276
s1c2c(CCC2)c(c1NC(=O)C(SCc1c(cccc1)C)C)C(=O)N	PC-id_84886430	374.52	FKGXGZZSZXSROK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112277
s1c2c(CCC2)c(c1NC(=S)Nc1c(cc(cc1C)C)C)C(=O)OC	PC-id_20410491	374.52	OIMSPLBKNJAXFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112278
s1c2c(CCC2)c(c1NC(=S)Nc1cc(c(cc1)C)C)C(=O)OCC	PC-id_8659216	374.52	CTCSBIYCPAXIEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112279
s1c2c(CCC2)c(c1NC(=S)Nc1c(c(ccc1)C)C)C(=O)OCC	PC-id_8659219	374.52	AJNZWZCTKOFGEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112280
s1c2c(CCC2)c(c1NC(=S)Nc1c(ccc(c1)C)C)C(=O)OCC	PC-id_8659220	374.52	LNTAEQXYKYLMRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112281
s1c2c(CCC2)c(c1NC(=S)Nc1cc(cc(c1)C)C)C(=O)OCC	PC-id_8659221	374.52	LPSHOFYQOISJNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112282
s1c2c(CCC2)c(c1NC(=S)Nc1c(CC)cccc1C)C(=O)OC	PC-id_20410578	374.52	GZDMNBNJDHHLHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112283
s1c2c(CCC2)c(c1NC(=S)Nc1c(CC)cccc1)C(=O)OCC	PC-id_8446590	374.52	PLDRJWZSSWNJAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112284
s1c2c(CCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1)C(=O)OC	PC-id_20410913	374.52	SUUQCPDSANFIPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112285
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(cc1)C)C)C(=O)OC	PC-id_19649882	374.52	OFRQOJAKTRUOGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112286
s1c2c(CCC2)c(c1NC(=S)NCCc1ccccc1)C(=O)OCC	PC-id_8729329	374.52	KCYNPIMBWXOIJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112287
s1c2c(CCC2)c(c1NC(=S)NCCCc1ccccc1)C(=O)OC	PC-id_19650123	374.52	GFNUCKCVUFQUDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112288
s1c2c(CCC2)c(c1NC(=S)NC(CC)c1ccccc1)C(=O)OC	PC-id_19675354	374.52	CWMCOKXNKZHZHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112289
N#Cc1c(NC(=O)C(NC(c2ncc(s2)C)(C)C)C)sc2c1CCC2	EMOLS-id_99478051	374.523	FOMGKFBDNCSTKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112290
O=C(NCCc1nnc2n1CCC2)c1ccc(C2SCCCS2)cc1	EMOLS-id_45633999,MCULE-2493240990,ZINC22_89783442,PC-id_71943617	374.523	PURTXDIXORVOKV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112291
c1(CN(C)C(=O)NC2CCN(CC2)C2CCN(CC2)C)c2CCCc2[nH]n1	ZINC22_584884784,EMOLS-id_177362684,MCULE-5361159552	374.524	AMEIKKGZUFXDIJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112292
CC1CCC(N1CCN1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101579331	374.524	UAZHTCAOBIRYSV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112293
CC1CCN(CC1)C1CCC(CC1)NC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_97783096	374.524	OHNWELAUIRQIBV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112294
CC(N1CCC(CC1)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101418777	374.524	GUBFMXBOSWTLGV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112295
CCN(CCC1CCN(C(=O)NCc2nnc3n2CCC3)CC1)CC1CC1	EMOLS-id_48312418,ZINC22_95457479,MCULE-1163373546,PC-id_75440443	374.524	LTLSETOUULDXKI-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-112296
O=C(N1CCC(CC1)CCN1CCCCC1C)NCc1nnc2n1CCC2	EMOLS-id_100269761	374.524	HTRPVNYKMIXJAQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112297
O=C(N1CCCC(C1)CN1CCCCC1C)NC(c1nnc2n1CCC2)C	EMOLS-id_99143143	374.524	KMKDJQQULORCSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112298
CCN1CC(c2c1sc(n2)C(C)C)CC(c1nc2c(o1)N(CC2)CC)C	SCHEMBL19441911	374.543	DXKSPQOTDDLZTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112299
CCN1CCC(CC1C)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)C	EMOLS-id_99577753	374.543	JYJQKCDEICOVFX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112300
BrC(c1sc2c(CCC2)c1)Cc1ccc(cc1)C(F)(F)F	PC-id_63530224	375.247	OJTJELRUHAJJHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112364
N#Cc1c(NC(=O)C(N(CCC2CCCCN2C)C)C)sc2c1CCC2	EMOLS-id_101050159	374.543	OKHJZLDVKBLHBG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112301
Clc1cccc(c1)S(=O)(=O)n1cc2c(c1Br)CCC2=O	SCHEMBL16547820,PC-id_117935853	374.637	IEHXYAYBRYKCBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112302
Fc1cc(Cl)c(c(c1)Br)NC(=O)c1sc2c(c1)CCC2	PC-id_107470599	374.656	IARCOZOCFBQFQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112303
CCc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324909582	374.673	MEZVBNXPYUBJGI-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112304
n12c(=O)c(=Cc3ccc(CC)cc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7907492479	374.673	MEZVBNXPYUBJGI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112305
CNC(c1ccc(c(c1F)Cl)Br)c1sc2c(c1)CCC2	PC-id_106764474	374.699	BANIQLSNPRNQHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112306
CNC(c1cc(Cl)c(cc1F)Br)c1sc2c(c1)CCC2	PC-id_105398908	374.699	BDQDGLUYKUJLEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112307
c1(C(=O)Nc2sc3c(CCC3)c2C#N)nn(c(C(F)(F)F)c1Cl)C	ZINC22_2776731,CoCoCo_6578720,PC-id_4768812,TIMTEC355735,MCULE-3265896163,EMOLS-id_4052277	374.769	OILHSZJQUNAHGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112308
CNc1c(c2c(s1)CCC2)C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F	SCHEMBL20353872,PC-id_135200296	374.808	PWKYINWVQRGVKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112309
c1(C(=O)Nc2c(Cl)ccc(c2)C(=O)N2CCOCC2)c2CCCc2[nH]n1	MCULE-2840887198,EMOLS-id_323259579	374.821	UAVOSCIASBCMRE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112310
[C@H]1(c2ccccc2Cl)NC(=O)CO[C@@H]1C(=O)NCc1c2CCCc2[nH]n1	MCULE-6267938188,ZINC22_1529126034,EMOLS-id_316156608,PC-id_134701406	374.821	PCDCCCHKKUEOBO-SJORKVTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-112311
Clc1cccc(c1)CC(=O)N1CCN(CC1)C(=O)c1nn2c(c1)OCC2	EMOLS-id_99568963	374.821	KGKFBUMWJSXWIP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112312
Clc1c(C(=O)NC2CC2)cc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_60487287	374.825	VJOKMYKMCJEDEQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-112313
Clc1c(NC(=O)NCc2n3CCCc3nn2)cc(N2CCCC2=O)cc1	PC-id_52200473	374.825	DMKDSINIMOMWCH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112314
Clc1ccc(c(c1)F)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_16729148,MCULE-7063299951,PC-id_8474153,CoCoCo_3532714	374.838	KWLKWQURHSRJEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112315
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)ccc1F	PC-id_8474039	374.838	FHPZVGLLXXONMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112316
Clc1ccc(CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8579090	374.841	HFWQEOGRFHXBAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112317
Clc1c(CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_8632077	374.841	SDOCPWRWCILMBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112318
Clc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)ccc1C#N	PC-id_8359427	374.841	PIJYXDMRQSASMM-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-112319
Clc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)ccc1C#N	PC-id_8359431	374.841	PIJYXDMRQSASMM-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112320
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc1C#N	PC-id_78674891	374.841	PIJYXDMRQSASMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112321
c12SCCn1cc(CNC(=O)c1onc(Cc3ccccc3Cl)c1)n2	CoCoCo_1162993,EMOLS-id_20423161,PC-id_42449475,ZINC22_12184386,MCULE-4501692805	374.845	KDCUDXZSQDKDKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112322
c1(NC(=O)CCc2onc(c3ccc(cc3)Cl)n2)sc2c(CCC2)n1	PC-id_26723461,EMOLS-id_323253163,MCULE-8871923538	374.845	UUWNAWCDXOAXJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112323
O=C(NCCc1cn2c(n1)SCC2)c1cc(Cl)ccc1n1cncn1	ZINC22_648357962	374.848	FTRRWSGMNCOLMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112324
CCCCC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)Cl	SCHEMBL13915354,PC-id_71027047	374.865	OTLJLSMDSXMYQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112325
Clc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C	PC-id_9976724,SCHEMBL13906194	374.865	KLADFYXAGWHXIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112326
CN1CCOC(C1)C(c1ccc(cc1)Cl)NC(=O)c1n[nH]c2c1CCC2	MCULE-3562432436,EMOLS-id_98402360	374.865	YZGZMRKUYYESTO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112327
CN1CCO[C@H]([C@H](NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1	ZINC22_126794649	374.865	YZGZMRKUYYESTO-DLBZAZTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-112328
CN1CCO[C@@H]([C@H](NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1	ZINC22_126794891	374.865	YZGZMRKUYYESTO-IAGOWNOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112329
CN1CCO[C@H]([C@@H](NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1	ZINC22_329006238	374.865	YZGZMRKUYYESTO-IRXDYDNUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112330
CN1CCO[C@@H]([C@@H](NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1	ZINC22_329006239	374.865	YZGZMRKUYYESTO-SJORKVTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-112331
COc1ccc(Cl)cc1CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	EMOLS-id_98018241,MCULE-4904602861,ZINC22_119760717	374.865	JECDJKKQHPWRQG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112332
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1c[nH]c(=O)c(c1)Cl	PC-id_92109928	374.865	PJOGVSJWWNYVKC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-112333
Clc1cc(NC(=O)NCc2n3CCCc3nn2)c(N2CCCCC2)cc1	PC-id_52191073	374.868	WLVUPBUXPQPFQF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112334
CN=C(NC1CCN(C1)c1ncccc1Cl)NCc1nnc2n1CCC2	PC-id_109724551	374.871	VDBLNIBNYZSGBM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-112335
BrC1c2c(C(=O)C1)c(Br)sc2Br	PC-id_398922	374.875	CZYXJOKMEQOKIB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112336
O=C1C[C@@H](c2c1c(Br)sc2Br)Br	CoCoCo_5775688	374.875	CZYXJOKMEQOKIB-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112337
O=C1C[C@H](c2c1c(Br)sc2Br)Br	NSC709156,CoCoCo_5775687	374.875	CZYXJOKMEQOKIB-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112338
c1(NC(=O)C2CC2c2ccccc2Cl)sc2c(CCC2)c1C(=O)NC	MCULE-4815119416,EMOLS-id_334334928	374.884	FOZVJMNWFRHFKZ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-112339
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)NCC2CC2)cccc1	PC-id_71450467,BindingDB_PC-id_71450467	374.884	PXPAGYRDCRNGQA-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-112340
Clc1ccc(cc1)C(N1CCOC(C1)(C)C)CNC1CCn2c1ncc2	EMOLS-id_318362935	374.908	CXGJGVJHTABWDU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112341
CN=C(NCc1nnc2n1CCC2)NCC(Cc1cccc(c1)Cl)(C)C	PC-id_109668411	374.911	JXGJEZCAKCDUQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112342
Clc1ccc(CN2CCC(NC(=O)c3sc4c(CCC4)c3)CC2)cc1	PC-id_8590159	374.927	VXFMWGSEMSQYMZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-112343
CC1=C(C(=C(O1)C)S(=O)(=O)NC2CCC3=C2C=C(S3)Cl)C(=O)O	PC-id_154802862	375	ACLDDORHQUTNAY-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112344
O=C(c1c(Br)nc2n1CCC2)Nc1c[nH]nc1Br	EMOLS-id_278434726	375.019	SWNBYVDKWSHLFD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112345
C1CC2=C(C(=C(N2C1)C(=O)C(=O)O)Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154663321	375.042	JHNNPKVGHAGNSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112346
C1C2=CN(N=C2CN1C(=O)CCO)S(=O)(=O)C3=CN(N=C3)CC(F)F	PC-id_164872204	375.081	RBVTZAOQDUAPGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112347
Brc1cnc(c(c1)Br)Nc1sc2c(n1)CCC2	PC-id_104453137	375.082	GKYWAOWTAGOTNE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-112348
CC#CC#CC1=CN2C(=C1)CN(C2=O)CC[C@](C)(C(=O)NC)S(=O)(=O)C	PC-id_149126174	375.125	RAYFSCSZFGFVGY-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112349
CC(=O)NC1=CC=CC=C1C(=O)NC2=NNC3=C2CN(C3)CC4=CC=CC=C4	PC-id_153873221	375.17	SJEGNDYSYARSQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112350
CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCCC2=NN=C3N2CCC3	MCULE-8828285170,EMOLS-id_257830537,PC-id_154773746	375.173	NTMICWAHFLXRPS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-112351
CN1C=C(C(=O)N(C1=O)C)CN(CC2=NC3=C(S2)CCC3)C4CCNC4	PC-id_154805293	375.173	GAZGSEVSLFWZTC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112352
CC1CCc2c1c(O)nn2Cc1ccc(c(Br)c1)C(F)(F)F	EMOLS-id_330960115,MCULE-4976975281	375.184	NUPIUVSBOSKBNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112353
CC1CCc2c1c(O)nn2Cc1ccc(cc1Br)C(F)(F)F	MCULE-6732356285,EMOLS-id_330957555	375.184	BPQWNCYNNDQWJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112354
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(O)c12	EMOLS-id_331006369,MCULE-8532033749	375.184	DSHBOAHXDLFMGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112355
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(O)c12	MCULE-7288161423,EMOLS-id_331007904	375.184	HJVFLKKHUSWXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112356
Fc1cc(F)c(c(c1)Br)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_104287788	375.189	FRJRSWXGENHFGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112357
OC(=O)C1CCc2c1nc(s2)Nc1cc(Br)c(cc1F)F	PC-id_102855405	375.189	UWSPSNRQDJCARI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112358
OC(=O)C1CCc2c1nc(s2)Nc1cc(F)c(cc1F)Br	PC-id_107608305	375.189	RBHBESGCKGZGDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112359
OC(=O)C1CCc2c1nc(s2)Nc1c(F)cc(cc1F)Br	PC-id_104288859	375.189	SNMBCMHTKJNTJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112360
c12CN(Cc1nn(CC1CCC1)c2I)C(=O)OCC	MCULE-6143026945,EMOLS-id_324344420	375.205	ZIBJWTPQTGUMHZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-112361
CC(C)Cc1nc2c(n1C)C=[I](=C2)C=CC(=O)NO	PC-id_88275436	375.205	YRFMDBVLRSBHJE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-112362
ONC(=O)/C=C/[I]1=Cc2c(C=1)nc(n2C)CC(C)C	SCHEMBL8290493	375.205	YRFMDBVLRSBHJE-SNAWJCMRSA-N	00000011100000000001000010000000000000000000000000000000	25-01-112363
Brc1cc(cc(c1)C(=O)N1CCCC1)NC1CCn2c1ncc2	EMOLS-id_318011287	375.263	YCHSAOZKIAVBSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112365
Brc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110480432	375.263	HMZZLSFWULHBSA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112366
C[C@H]1CN([C@@H](CN1C(=O)N2C3=C(CNC3(C)C)C=N2)C)CC4CCOCC4	PC-id_161756999	375.263	XNDALTSCSPIDRU-CABCVRRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-112367
O=C(NCCc1nnc2n1CCC2)C1(c2ccc(Br)cc2)CC1	PC-id_86812529,ZINC22_170619999,EMOLS-id_49904196,MCULE-1302945808	375.263	FEHVCOVUHQOHNE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-112368
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c(nc1)N	PC-id_62152923	375.265	FQLBYIFAGQOHKP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-112369
Brc1cccc(CCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-4116045924,EMOLS-id_328086602	375.283	IJZSDHKFVQCWDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112370
Brc1ccc(CCC(=O)Nc2sc3CCCc3c2C#N)cc1	MCULE-9626115931,EMOLS-id_328029856	375.283	LCIDPRIMSKFJSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112371
BrC(=Cc1ccccc1)C=Nc1sc2CCCc2c1C(=O)N	PC-id_4087185	375.283	GTHTXRHUXCREDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112372
BrC(=Cc1ccccc1)/C=N/c1sc2CCCc2c1C(=O)N	PC-id_9646178	375.283	GTHTXRHUXCREDH-MFOOAQEUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112373
NC(=O)c1c(/N=C/C(=C/c2ccccc2)/Br)sc2c1CCC2	CK2061864,ZINC22_108594396	375.283	GTHTXRHUXCREDH-IEVHIFFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112374
Clc1sc(Cl)cc1C(=O)Nc1sc2c(CCC2)c1C(=O)NC	PC-id_7475013	375.293	ILJXVDVYHANNQC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-112375
O=C(C(=O)c1n2CCCc2c(c1C)C(=O)O)N[C@@](C(F)(F)F)(C(=O)N)C	SCHEMBL21378226,PC-id_139507368	375.3	SABFSFMZUZFKJE-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112376
O=C(C(=O)c1n2CCCc2c(c1C)C(=O)O)NC(C(F)(F)F)(C(=O)N)C	SCHEMBL21378227,PC-id_139507369	375.3	SABFSFMZUZFKJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112377
CC1CCc2c1c(CBr)nn2Cc1ccc(OCC2CC2)cc1	EMOLS-id_331033601,MCULE-8749365791	375.303	GUPJJTXDUMFHND-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-112378
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(CBr)c12	EMOLS-id_331012539,MCULE-1062810854	375.303	XJJHGJOJLCQORP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-112379
Brc1cccc(N2CC[C@@H](CNCc3cnc4n3CCC4)C2)c1	ZINC22_657329002	375.306	GVGYHBWYDLNJJK-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112380
Brc1cccc(N2CC[C@H](CNCc3cnc4n3CCC4)C2)c1	ZINC22_657329003	375.306	GVGYHBWYDLNJJK-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112381
C1C(Sc2nc(cn12)[N+](=O)[O-])COCc1ccc(cc1)OC(F)(F)F	PC-id_137651166	375.323	SCXSXROUAUFWSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112382
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COc1ccc(cc1)OC(F)(F)F	PC-id_137639038	375.323	ZLFWFIZYALOODH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112383
O=C(O)c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1C(F)(F)F	MCULE-5093882575,EMOLS-id_313190929,ZINC22_484935447	375.323	HBIUFZHFXUFLRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112384
O=C(N1Cc2c(C1)c(nn2C)Cn1ccnc1)c1ccc(cc1)C(F)(F)F	PC-id_97519199	375.348	VUEVISKHLQVTQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112385
Fc1ccc(cc1)CN1CCN(C1=O)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69482544,SCHEMBL5546700	375.354	HSUKIFKZCQFNBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112386
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(o1)c1ccno1	PC-id_89238764,SCHEMBL14057572	375.356	RJLZBPKKRJFIDF-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-112387
c1(CNS(=O)(=O)c2ccc(cc2)OC(F)(F)F)c2CCCc2nn1C	MCULE-4431150924,EMOLS-id_53884713,PC-id_91819422,ZINC22_225819036	375.366	LTEOVLVJSQZEMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112388
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(OC)c(c(OC)c1)OC)CC	SPECS-id_AN-153/NB21595,PC-id_135649948,MCULE-2489314715,EMOLS-id_24577902,STOCK6S-68938	375.379	XITPBJCHLOJAIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112389
CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)C(=O)N2	PC-id_135902113,ZINC22_20724576	375.379	XITPBJCHLOJAIK-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-112390
CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)C(=O)N2	ZINC22_20724572,PC-id_135902112	375.379	XITPBJCHLOJAIK-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112391
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccccc1)NC(=O)c1ccccc1	PC-id_68440611,SCHEMBL2918422	375.381	GUCHAXOJRBEVLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112392
O=C(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)C)C1)c1ccncc1	PC-id_71458698	375.381	GQQYBEGDQZUETI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112393
n12N=C(C(C)(C)C)/C(=N/Nc3n(ncc3[N+]#[C-])c3ncccn3)/c1nc(n2)C	PC-id_58113668	375.391	NIHFEYNKZWIUOV-FMCGGJTJSA-N	00000011100000100001100010000000000000000000000000000000	25-01-112394
n12N=C(C(C)(C)C)/C(=N/Nc3n(ncc3[N+]#[C-])c3ncccn3)/c1nnc2C	PC-id_58090630	375.391	AWZCIHCJFOFAKG-FMCGGJTJSA-N	00000011100000100001100010000000000000000000000000000000	25-01-112395
n12N=C(C(C)(C)C)C(=NNc3n(ncc3[N+]#[C-])c3ncccn3)c1nnc2C	PC-id_76663853	375.391	AWZCIHCJFOFAKG-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-112396
n12N=C(C(C)(C)C)/C(=N/Nc3n(ncc3[N+]#[C-])c3nnccc3)/c1nc(n2)C	PC-id_58113699	375.391	WJGWGSYYUHNOHC-QRVIBDJDSA-N	00000011100000100001100010000000000000000000000000000000	25-01-112397
O=C(CCc1ncc(c2ccc(F)cc2F)o1)Nc1nc2c(s1)CCC2	ZINC22_25769293,MCULE-9581225809,EMOLS-id_33340927,PC-id_33040999	375.392	YUIGNPZYCNRPNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112398
O=C(CCc1ncc(c2c(F)cccc2F)o1)Nc1nc2c(s1)CCC2	EMOLS-id_30241792,MCULE-6594495815,ZINC22_25769294,PC-id_33041000	375.392	YVGANDBEMSKMTK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112399
c1(C(=O)N[C@@H]2CC[C@H]([C@@H](O)[C@@H]2O)Oc2cccc(F)c2)c2CCCc2[nH]n1	BDI-33780615,EMOLS-id_44406202,MCULE-9783489897,ZINC22_257253052,PC-id_110157885	375.394	JXKDIXLRMDJEBU-JOCBIADPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112400
OCCCONC(=O)c1c(Nc2ccc(cc2F)C)n(c2c1CCC2=O)C	PC-id_145524200	375.394	GZPTYWCRBPBFPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112401
O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1n[nH]c2c1CCC2	MCULE-2411113890,ZINC22_257253053,BDI-33780605,PC-id_110157883	375.394	JXKDIXLRMDJEBU-LMSBXDPUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112402
c1(cccc(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c1O)C(=O)O	MCULE-5194519263,EMOLS-id_328229660	375.396	FELPTEGSFVRKLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112403
Cc1ccc(cc1)C(=O)c1c(cc2n1CC(C2C(=O)O)C(=O)O)S(=O)C	SCHEMBL11204118,PC-id_70536996	375.396	SMGCRDDTGLQTAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112404
CCOc1ccc(cc1OC)C(N1C(=O)c2c(C1=O)csc2)CC(=O)O	SCHEMBL2987101,PC-id_68467330	375.396	AGWIAVCCIBTAMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112405
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)csc2)CC(=O)O	SCHEMBL2997580,PC-id_68471152	375.396	VCAINIPBXMLGPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112406
COc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC	SCHEMBL15015436,PC-id_89617322	375.396	KFWFTMZNHJJINB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112407
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2O)sc2c1CCC2	CoCoCo_3034247,MCULE-4771380804,PC-id_2437520,ZINC22_3322048,EMOLS-id_3038997	375.396	FGGRHSVNTAHTJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112408
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(O)cc1)C(=O)OC	PC-id_16539862	375.396	SAHVVFAIRIFMAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112409
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(O)ccc1)C(=O)OC	PC-id_16540142	375.396	NJYHFRLIBKXKFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112410
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1occc1)C(=O)OC	PC-id_24363416	375.396	ZHTBQJSTPFWKHO-BQYQJAHWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112411
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1occc1)C(=O)OC	PC-id_74265154	375.396	ZHTBQJSTPFWKHO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112412
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)NCc3ccc(cc3)F)C2)n1	EMOLS-id_316331839,MCULE-7364484149	375.397	ZSDPBLCVGIXWNR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112413
c1(C(=O)NCCOC)cc2n(CC(NC(=O)NCc3ccc(cc3)F)C2)n1	MCULE-2207733624	375.397	ZSDPBLCVGIXWNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112414
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)NCc3ccc(cc3)F)Cc12	EMOLS-id_316335964,MCULE-4398345704	375.397	DDCFHOAAGNCIQR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112415
CNCC(OC(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_143492491	375.397	ZZEGMMKZTRIPDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112416
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OCC)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348441,PC-id_4503426,MCULE-6861083022,ZINC22_6554560	375.399	RTINDQVCWKJGHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112417
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C(=O)NC	MCULE-5926540007,EMOLS-id_334332370	375.399	RLSUNBKQKSNBSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112418
c1(NC(=O)COc2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_2072604,MCULE-8861240587	375.399	GMNYJRYLTNXQSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112419
c1(NC(=O)C(=O)NN=Cc2ccc(C)o2)sc2c(CCC2)c1C(=O)OC	PC-id_1957084,MCULE-3813184847	375.399	WYFTUVQIBCVKOJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112420
Cc1c(OCC(=O)Nc2c(C(=O)N)c3c(CCC3)s2)ccc(N(=O)=O)c1	PC-id_2072512,MCULE-2992354805	375.399	MUMIVOBJABKLPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112421
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Oc1ccc(cc1)[N+](=O)[O-]	PC-id_46893799,SCHEMBL3397845	375.399	KGPRMOHMPXYKJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112422
CCOC(=O)c1c2CCCc2sc1NC(=O)c1cc(ccc1N)[N+](=O)[O-]	EMOLS-id_327899624,MCULE-7636303773	375.399	DQDLSZYRHAXZRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112423
COC(=O)c1c2CCCc2sc1NC(=O)C(=O)N/N=C/c1ccc(C)o1	EMOLS-id_26344779,STOCK4S-58223,PC-id_5779819	375.399	WYFTUVQIBCVKOJ-QGMBQPNBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112424
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC(=O)C)c2=O)CC	MCULE-5721072807	375.399	NDSGNDMYFGFQDR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112425
s1c2CCCc2cc1C(=O)NN=Cc1c([N+](=O)[O-])cc(OC)c(OC)c1	PC-id_85015412	375.399	GKLZXZLEWXDAOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112426
s1c2c(CCC2)c(c1NC(=O)CNc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_26416714	375.399	TXOVKMLEBWLNMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112427
s1c2c(CCC2)c(c1NC(=O)COc1c(ccc([N+](=O)[O-])c1)C)C(=O)N	PC-id_52174351	375.399	LKMQXOVCTJSHRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112428
s1c2c(CCC2)c(c1NC(=O)COc1c(c([N+](=O)[O-])ccc1)C)C(=O)N	PC-id_60518258	375.399	SKWNTZUZQCEXNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112429
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])ccc(c1)C)C(=O)N	PC-id_27950339	375.399	PHVZMZVEFOOMSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112430
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])cc(cc1)C)C(=O)N	PC-id_8560425	375.399	HOGMLFZIEHCEER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112431
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ncc(nc1)C)C(=O)OC	PC-id_16524460	375.399	BOMITYOZIIJKQO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112432
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nccnc1)C(=O)OCC	PC-id_2694719	375.399	IVIPHNUQSKPOCN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112433
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cn1c(=O)cccc1)C(=O)N	PC-id_8987020	375.399	VRAKKCVEOFNSNP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-112434
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1occc1)C)C(=O)OC	PC-id_3448871	375.399	YSUNBEOVJVANOL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112435
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1occc1)C)C(=O)OC	PC-id_9621160	375.399	YSUNBEOVJVANOL-DJKKODMXSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112436
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1occc1)C(=O)OCC	PC-id_19659128	375.399	QIZLACSRQPLUCP-GIJQJNRQSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112437
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1occc1)C(=O)OCC	PC-id_73633624	375.399	QIZLACSRQPLUCP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112438
c1(NC(=O)COc2nonc2CC(=O)N(C)C)sc2CCCc2c1C#N	EMOLS-id_333688871,MCULE-9385190926	375.402	JWPIGLHTPKTUGL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112439
c1(NC(=O)COc2nonc2CC(=O)NCC)sc2CCCc2c1C#N	MCULE-5543331657,EMOLS-id_333684816	375.402	SDSKHBZYIPGPGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112440
c1(NC(=O)COc2nonc2C(=O)NCCC)sc2CCCc2c1C#N	EMOLS-id_333716538,MCULE-9640418427	375.402	ZCDCTCCXTBOHJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112441
C[C@@]1(c2cccc(NS(=O)(=O)c3cnc4n3CCC4)c2)NC(=O)NC1=O	PC-id_97840493,ZINC22_97165069	375.402	OKASWVLFQGVRGI-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112442
C[C@]1(c2cccc(NS(=O)(=O)c3cnc4n3CCC4)c2)NC(=O)NC1=O	ZINC22_97165070,PC-id_97840494	375.402	OKASWVLFQGVRGI-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112443
O=C1NC(=O)C(N1)(C)c1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_49355995,MCULE-2383226875,PC-id_75524814	375.402	OKASWVLFQGVRGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112444
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1nccnc1N)C)C(=O)N	PC-id_34369720	375.402	MAQHMAVONGJVKA-SSDOTTSWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112445
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1nccnc1N)C)C(=O)N	PC-id_34369725	375.402	MAQHMAVONGJVKA-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112446
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1nccnc1N)C)C(=O)N	PC-id_85485814	375.402	MAQHMAVONGJVKA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112447
s1c2c(CCC2)c(c1Nc1nc(NC2CC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127542	375.406	OMYVKSLNUYPBCL-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-112448
s1c2c(CCC2)c(c1Nc1nc(nc(N)c1[N+](=O)[O-])NCC=C)C(=O)N	PC-id_52127489	375.406	JDUHXACMTFCUSD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112449
s1c2CCCc2c(c1NC(=O)CCN(CCCO)CC(F)(F)F)C#N	PC-id_60256846	375.409	DIDACGRHCRWVOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112450
c1(c(F)ccc(C(=O)C)c1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-5100647099,EMOLS-id_328138159	375.414	UUVIKQZYBSGLDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112451
C1C(C(=O)c2cccn12)(COCc1ccccc1)COC(=O)c1ccccc1	PC-id_90758982	375.417	FQYSCJLUOXAJQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112452
c1(NC(=O)NN=Cc2ccccc2F)sc2c(CCC2)c1C(=O)OCC	MCULE-5281004739,PC-id_73551136	375.417	XFIODIRSWPFYDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112453
c1(NC(=O)NN=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	MCULE-6261093419,PC-id_73551076	375.417	QREMVVOHLKLFSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112454
CCOc1ccc(cc1)C(=O)c1cc2c(n1Cc1ccccc1)C(C(=O)O2)C	SCHEMBL7675561,PC-id_54187517	375.417	PGCRSLFXGMDKCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112455
CN(C)C(=O)CNC(=O)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1	ZINC22_96264555,PC-id_97524494,EMOLS-id_44378954	375.417	WOCALNFAKLNUML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112456
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1C)OCc1ccccc1	PC-id_139746959	375.417	ZLFORCNEDRGXHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112457
s1c2c(CCC2)c(c1NC(=O)N/N=C/c1ccc(F)cc1)C(=O)OCC	PC-id_19172577	375.417	QREMVVOHLKLFSH-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-112458
s1c2c(CCC2)c(c1NC(=O)N/N=C/c1c(F)cccc1)C(=O)OCC	PC-id_19172689	375.417	XFIODIRSWPFYDX-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-112459
CCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960066	375.419	MPLYALXRQLXZBM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112460
CN=C(N1CCN(CC1)c1cc(F)ccc1F)NCc1nnc2n1CCC2	PC-id_109450969	375.419	QXOACQJXQPAAKR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112461
CN=C(NC1CCN(C1)c1c(F)cccc1F)NCc1nnc2n1CCC2	PC-id_109614344	375.419	DRSSKVZRIUODAI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112462
Fc1ccc(/C=C/c2nc3s/c(=CC=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_45965861,ZINC22_16750138	375.419	AUNKKNNEALCPGV-PBFDEZFCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112463
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)C=Cc1ccc(cc1)F	MCULE-8307055316	375.419	AUNKKNNEALCPGV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112464
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)NCc1occc1	PC-id_27520535	375.419	RBWVFKFFBLJVTO-UHFFFAOYSA-M	00000010101000000000000010000000000000000000000000000000	25-01-112465
Cc1ccc(cc1)C(=O)c1c(NC(=O)OCc2ccccc2)nc2CCCn12	EMOLS-id_331237477	375.42	AMPCMETVUPSNEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112466
Cc1cc(ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)[N+](=O)[O-]	EMOLS-id_328217459,MCULE-4281081806	375.42	QCQVNZFNQVKHJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112467
Cc1ccc(cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)[N+](=O)[O-]	MCULE-3214544796,EMOLS-id_328218229	375.42	UTKTZYBXIGWSGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112468
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)[N+](=O)[O-]	EMOLS-id_328216949,MCULE-7586196745	375.42	ZRKIWSMGYSVYTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112469
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1[N+](=O)[O-]	MCULE-6504768539,EMOLS-id_328224115	375.42	BLBDKGDRHACVKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112470
Cc1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cccc1[N+](=O)[O-]	MCULE-2405974207,EMOLS-id_328218490	375.42	GMGKEKMZGRXWHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112471
Cc1ccc(S(=O)(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)cc1F	ZINC22_96084496,PC-id_97405322	375.421	FQVUMUNYNQVGNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112472
N#Cc1c(F)cccc1N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100204987	375.421	AXCZCTOPJBKVOR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112473
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)CCc3c(C)noc3C)Cc12	EMOLS-id_316323634,MCULE-7936483156	375.422	HCRPPFRXWVJGLL-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112474
COc1cc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)on1	ZINC22_1565554574,EMOLS-id_313736660	375.422	BGNDNDCOXILFFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112475
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)CCc1c(C)noc1C	MCULE-9900965420	375.422	HCRPPFRXWVJGLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112476
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cccc(C)n2)n1	MCULE-1473508632	375.424	LSAFLQIESVKESW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112477
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cnccc2C)n1	MCULE-4836546738	375.424	WQAFCWQSHAAPLC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112478
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cncc(C)c2)n1	MCULE-6643329966	375.424	LDRFJNXRLXQXPJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112479
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cccc(C)n2)n1	MCULE-7941988589,EMOLS-id_316331830	375.424	LSAFLQIESVKESW-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112480
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cnccc2C)n1	MCULE-3158359569,EMOLS-id_316333368	375.424	WQAFCWQSHAAPLC-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112481
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cncc(C)c2)n1	MCULE-2774944898,EMOLS-id_316330295	375.424	LDRFJNXRLXQXPJ-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112482
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cccnc1C	MCULE-1167283227	375.424	IBHZKVZTFBSPPM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112483
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccc(nc1)C	MCULE-8180484941	375.424	FMJHRSVHLDDBLT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112484
s1c2CCCc2cc1C(=O)OCC(=O)NCCSCc1ccccc1	PC-id_7886447	375.505	JPVSONQBUQZGFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112787
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccnc(C)c1	MCULE-4470166110	375.424	OQHYJAJPNZIXEI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112485
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cccc(C)n1	EMOLS-id_316336476,MCULE-8662188750	375.424	JQQBBMYPWDKCMP-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112486
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cccnc1C	MCULE-2081285582,EMOLS-id_316318003	375.424	IBHZKVZTFBSPPM-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112487
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(nc1)C	MCULE-7010056879,EMOLS-id_316320566	375.424	FMJHRSVHLDDBLT-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112488
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccnc(C)c1	MCULE-1446481308,EMOLS-id_316319028	375.424	OQHYJAJPNZIXEI-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112489
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3cccnc3)Cc12	MCULE-7706358066,EMOLS-id_316321075	375.424	LLMZBJDRAAARGB-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112490
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3cccnc3)Cc12	MCULE-7835769182	375.424	LLMZBJDRAAARGB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112491
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68441132,SCHEMBL2919961	375.424	JFQKYMPENQGNRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112492
Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL2922249,PC-id_68441904	375.424	CUTUXOVMTHHWGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112493
Cc1cccc(n1)C(=O)NC1Cc2n(C1)ncc2C(=O)NCc1ccccc1	MCULE-4937320283	375.424	JQQBBMYPWDKCMP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112494
CCC(=O)N(c1n[nH]c2c1CN(C2)C(=O)Nc1ccccc1)c1ccccc1	PC-id_68442620,SCHEMBL2923956	375.424	LVFJZINGAWLJIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112495
CC(C(=O)Nc1n[nH]c2c1CN(C2)C(=O)Nc1ccccc1)c1ccccc1	SCHEMBL2918006,PC-id_68440491	375.424	ISCZOIDQZLCXKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112496
CCNC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)c1ccccc1	PC-id_68440199,SCHEMBL2917124	375.424	BMTSPKHQYSQGAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112497
CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)Cc1ccccc1	PC-id_68440834,SCHEMBL2919133	375.424	UXXRTHUMZMFOQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112498
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)[C@H]2Cc3nccn3C2)cc1	ZINC22_2325856099	375.424	AWOUSNWRXWDULD-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112499
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)[C@@H]2Cc3nccn3C2)cc1	ZINC22_2325856100	375.424	AWOUSNWRXWDULD-QGZVFWFLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112500
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1C)NCc1ccccc1	SCHEMBL2916455,PC-id_68439951	375.424	NUWYUQAKMNJLMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112501
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccc(cc2)C)C1)Nc1ccccc1	PC-id_68441656,SCHEMBL2921610	375.424	OKJVWNGVZCGMNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112502
O=C(N1Cc2c([nH]nc2NC(=O)Cc2cc(ccc2)C)C1)Nc1ccccc1	SCHEMBL2915817,PC-id_68439746	375.424	IHYMPQKXNNSETE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112503
O=C(N1Cc2c([nH]nc2NC(=O)Cc2c(cccc2)C)C1)Nc1ccccc1	SCHEMBL2921811,PC-id_68441724	375.424	HZUOJFRHWHYCFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112504
O=C(NCc1n2CCCc2nn1)c1c(NC(=O)c2cc(ccc2)C)cccc1	PC-id_52550845	375.424	YDUYUKOVNHIEBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112505
O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1Cc2c[nH]nc2C1	ZINC22_646346356	375.425	WHEJSCODNABETI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112506
O(CC(c1n2c(nn1)/C(=N/c1c(cc(N(C)C)cc1)C)/C(=C2[N+]#[C-])[N+]#[C-])C)C	PC-id_59091102	375.427	ONOCKBWZERNPEY-HAVVHWLPSA-N	00000011100000110001000010000000000000000000000000000000	25-01-112507
CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1F	EMOLS-id_17221168,CoCoCo_4682116,ZINC22_23055270,CoCoCo_4682117,MCULE-3459831313,PC-id_24250509	375.435	NDGUPADSKCGWDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112508
CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)c(F)c1	ZINC22_12911264,CoCoCo_4711848,MCULE-2644213413,PC-id_25597206,CoCoCo_4711849,EMOLS-id_18896105	375.435	WTVWUQVQGVROKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112509
Fc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1F	EMOLS-id_324902918	375.435	WWOUAAZTBNAJTO-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-112510
Fc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c(F)c1	EMOLS-id_324903430	375.435	SYPAXCJJEKGOEO-YBEGLDIGSA-N	00000000100010110001000010000000000000000000000000000000	25-01-112511
Fc1ccc(F)c(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324903947	375.435	AMDCLEAWAQWESW-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-112512
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)CCC1CCCCC1	MCULE-5527590118	375.435	SYPAXCJJEKGOEO-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-112513
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)CCC1CCCCC1	MCULE-5526510085	375.435	WWOUAAZTBNAJTO-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-112514
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CCC1CCCCC1	MCULE-5706369999	375.435	AMDCLEAWAQWESW-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-112515
s1c2CCCc2c(c1NC(=O)CCN(CC)c1cc(F)c(F)cc1)C#N	PC-id_56525406	375.435	VLSPPRWIUPTUAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112516
c1(cc(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(cc1)OC)OC	MCULE-1055668137,PC-id_16848725,EMOLS-id_327912522	375.439	CTYAOXRYLPVUED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112517
c1(NC(=O)c2ccc(cc2)OCCOC)sc2c(CCC2)c1C(=O)OC	MCULE-3322303936,SPECS-id_AN-153/I262381,SPECS-id_AN-329/43385287,CoCoCo_6356119,EMOLS-id_3771791,SPECS-id_AT-084/J175780,ZINC22_12137776,ASN-16337101,TIMTEC420847,PC-id_17353471	375.439	RDCGNTFOLLMBAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112518
c1(NC(=O)c2ccccc2OCCOC)sc2c(CCC2)c1C(=O)OC	TIMTEC303889,PC-id_17355356,ZINC22_12137783,EMOLS-id_3771843,CoCoCo_6356159,SPECS-id_AT-084/J175877,ASN-16338148,MCULE-6328186706,SPECS-id_AN-153/I263121	375.439	MCWATIVKDONRBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112519
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1785628,PC-id_3259071,MCULE-8538279311,CoCoCo_1737866,ZINC22_5710328	375.439	FEBSVGSUQYLHAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112520
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2198546,CoCoCo_901025,ChEMBL-DNDi_CHEMBL7253604,ZINC22_670999,PC-id_1010616,MCULE-4680322254,TIMTEC466183	375.439	TVPYGRNARHPVPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112521
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-7110931128,CoCoCo_117606,EMOLS-id_648940,PC-id_986278,TIMTEC473992,STOCK2S-62906,ZINC22_633637,ChEMBL-DNDi_CHEMBL1486-0153	375.439	UEKFHFJQYIKZRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112522
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1871528,STOCK3S-50057,CoCoCo_1661589,ChEMBL-DNDi_CHEMBL1000-0695,ZINC22_951806,MCULE-8859598752,SCHEMBL8289570,PC-id_1189328	375.439	BWEWLXHSVUFZKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112523
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	MCULE-7943152742,CoCoCo_895263,TIMTEC316980,PC-id_1012261,SPECS-id_AK-968/15253549,ZINC22_673127,EMOLS-id_2195120	375.439	MRFNFIPQIPBANM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112524
c1(NC(=O)CCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)O	PC-id_28860295,EMOLS-id_179129547,MCULE-7966395931	375.439	CBGNWLIQPQHIEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112525
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129544,PC-id_28860293,MCULE-9023340365	375.439	HOOIONOTTZBDQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112526
c1(NC(=O)C(C)Oc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	MCULE-3246854141,STOCK2S-59988,EMOLS-id_1860463,PC-id_2789608,ChEMBL-DNDi_CHEMBL6112340	375.439	XAOAXRKDLXKJAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112527
c1(NC(=O)C(C)Oc2cccc(OC)c2)sc2c(CCC2)c1C(=O)OC	PC-id_4065071,MCULE-1133811860	375.439	LPULGZPFWBQYOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112528
c1(NC(=O)COc2ccccc2OCC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_9647865,MCULE-6579736162,PC-id_1663928,ZINC22_1937559,CoCoCo_6355964	375.439	ZMIKEIZDVONTAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112529
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OC	ZINC22_957092,MCULE-2849854678,PC-id_1192995,CoCoCo_956168,EMOLS-id_1877767	375.439	LCDLIUIDUDUDMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112530
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-4680288055,ZINC22_1903833,EMOLS-id_327883635,PC-id_1637645	375.439	FBYJSPIQWIWUPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112531
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)OCC	STOCK2S-62098,CoCoCo_709543,TIMTEC270424,ZINC22_636857,EMOLS-id_662903,ChEMBL-DNDi_CHEMBL2389-2139,MCULE-2645253740,PC-id_987762	375.439	KREQWRFAAGOYRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112532
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_19204056,EMOLS-id_328045991,MCULE-1500322662	375.439	YYNMNVYQYRRJIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112533
CCCc1ccc(cc1)C(=O)c1n2CCC(c2cc1S(=O)(=O)C)C(=O)O	SCHEMBL10816833,PC-id_20235099	375.439	NLFCBRRWLHFZRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112534
CCCCS(=O)(=O)c1ccc2n1CCC2(C(=O)O)C(=O)c1ccccc1	SCHEMBL11437495,PC-id_70585899	375.439	FXYTWXSUZAWPOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112535
CCCCS(=O)(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_23333106,SCHEMBL11451473	375.439	PDXKIZJUKXCKEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112536
CCCCS(=O)(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL11437492,PC-id_23333061	375.439	XBOZSWMKTCVXOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112537
CCCCS(=O)(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O	SCHEMBL11438375,PC-id_70586084	375.439	BREBPUGFNKOMRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112538
CCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C	SCHEMBL11436733,PC-id_23333139	375.439	BOAXSFBBLFFKLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112539
CCCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C	SCHEMBL11436735,PC-id_70585776	375.439	HFCLCFXHDOIQGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112540
CCCS(=O)(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_23333041,SCHEMBL11438374	375.439	ALQQHKCUHPZLIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112541
CC(CS(=O)(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)C	SCHEMBL11439307,PC-id_23333097	375.439	SDHBFIJJDKRWLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112542
CC(CS(=O)(=O)c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)O)C	SCHEMBL11444508,PC-id_23333046	375.439	SBCVZIVQPPCBHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112543
CC(CS(=O)(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)O)C	PC-id_70586189,SCHEMBL11438927	375.439	PQTYQRBCRJSPBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112544
CCCS(=O)(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	SCHEMBL11438379,PC-id_70586085	375.439	UNTCBYQHNSZUJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112545
CCOc1c(cc(cc1)C(CC(=O)OC)N1Cc2cscc2C1=O)OC	PC-id_89617323,SCHEMBL15015437	375.439	PHQZYXSMXNGMDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112546
CCOc1ccc(cc1)C(=O)c1c(cc2n1CCC2C(=O)OC)S(=O)C	PC-id_20235127,SCHEMBL10809583	375.439	ZONDECSFLNBBHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112547
CC(Oc1ccc(cc1)C(=O)c1c(cc2n1CCC2C(=O)O)S(=O)C)C	PC-id_20235080,SCHEMBL10901554	375.439	ZRHBYHYHSYYRQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112548
CCOc1cc(ccc1OC)C(N1Cc2c(C1=O)csc2)CC(=O)OC	SCHEMBL2994280,PC-id_68469846	375.439	ZCMQPXJNKQHGDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112549
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)csc2)(C(O)C)C	PC-id_68468621,SCHEMBL2990816	375.439	MNTZPXYKXROYSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112550
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C)C	PC-id_23333094,SCHEMBL11436667	375.439	YDGZUCWDBKUGHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112551
CC(OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C)C	PC-id_70588590,SCHEMBL11451447	375.439	MIQQLVRXGICQCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112552
CC(OC(=O)C1(CCn2c1ccc2S(=O)(=O)C)C(=O)c1ccccc1)C	SCHEMBL11436669,PC-id_70585768	375.439	TYONPWWODGUPEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112553
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc2c(s1)CCC2	PC-id_2420270,ZINC22_3304636,CoCoCo_2840745,EMOLS-id_3178893,MCULE-9467310068	375.439	NXVMKXZCIDKDEI-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112554
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C	MCULE-3582385592,EMOLS-id_43696702,CoCoCo_2840730,ZINC22_4462151,PC-id_4394116	375.439	LLADXIVVAKZQAV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112555
CCOC(=O)c1c(NC(=O)C(C)Oc2ccc(O)cc2)sc2CCCc12	MCULE-6746583940,EMOLS-id_327751152	375.439	VGPTXBLGGJZACW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112556
COc1ccc(cc1OC)C(NC(=O)c1sc2c(c1)CCC2)CC(=O)O	EMOLS-id_50926361,MCULE-3144438143	375.439	IGWJTSHDLBIQHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112557
COc1cc(cc(c1)OC)CN(C(=O)c1sc2c(c1)CCC2)CC(=O)O	MCULE-1480548687,PC-id_119197514,EMOLS-id_72251030	375.439	UKBXRHXAGPKWCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112558
COc1ccc(c(c1)OC)C(NC(=O)c1sc2c(c1)CCC2)CC(=O)O	MCULE-8701455115,PC-id_120213620,EMOLS-id_57279030	375.439	HJXXKPFJHHJJRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112559
COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	SCHEMBL21247321,PC-id_139391503	375.439	BLJYGHZYRGCMID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112560
COc1cc(C)ccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_105537611	375.439	RLAPVRLJZPQVMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112561
COCCC(N1C(=O)c2c(C1=O)csc2)c1ccc(c(c1)OCC)OC	PC-id_68471028,SCHEMBL2997265	375.439	IAMAFHRLFLIXIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112562
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)CC)S(=O)(=O)C	PC-id_20235123,SCHEMBL10815006	375.439	PVEYVJYDTLYGNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112563
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)C(C)C	PC-id_23333101,SCHEMBL11443500	375.439	HPNLJRRGJFLEDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112564
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C(C)C	PC-id_70587168,SCHEMBL11443501	375.439	ZVIQASBTHRJCBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112565
COC(=O)c1c(C)[nH]c(c1C)C(=O)C(OC(=O)c1sc2c(c1)CCC2)C	MCULE-6749736398,EMOLS-id_11808386,PC-id_16362166	375.439	AEBAJNDFFPYFGP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112566
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)c1C	CoCoCo_2840909,PC-id_7291948,ZINC22_4581546	375.439	AEBAJNDFFPYFGP-LLVKDONJSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112567
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)c1C	PC-id_7291949,CoCoCo_2840910,ZINC22_4581547	375.439	AEBAJNDFFPYFGP-NSHDSACASA-N	00000010110000000000000010000000000000000000000000000000	25-01-112568
COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(OC)cc2)sc2c1CCC2	CoCoCo_740996,PC-id_1184321,ZINC22_944755	375.439	XAOAXRKDLXKJAZ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-112569
COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)sc2c1CCC2	CoCoCo_740997,PC-id_1184320,ZINC22_944756	375.439	XAOAXRKDLXKJAZ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112570
CSc1cc2n(c1C(=O)c1ccc(cc1)OC(C)C)CCC2OC(=O)O	PC-id_70450354,SCHEMBL10817107	375.439	AMZZWSTYKAQDBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112571
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C(C)(C)C	PC-id_23333124,SCHEMBL11443406	375.439	CDMCKVOIBZVFCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112572
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)C(C)(C)C	SCHEMBL11436267,PC-id_23333044	375.439	HRFSLDGDZJUYDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112573
OC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C(C)(C)C	SCHEMBL11436269,PC-id_70585710	375.439	COZZTSRLDJYLHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112574
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc(OC)cc(OC)c1)C	PC-id_16505630	375.439	SXPQLWMFMXMVEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112575
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc(OC)c(OC)cc1)C	PC-id_78674844	375.439	HFDPEAWDRHSXCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112576
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(OC)ccc(OC)c1)C	PC-id_45637942	375.439	MEHRJZJAFSVNOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112577
s1c2CCCc2cc1C(=O)OCC(=O)NCc1cc(OC)c(OC)cc1	PC-id_7291832	375.439	KBNDINNSQWSTGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112578
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(OC)c(OC)cc1)C	PC-id_8359203	375.439	HFDPEAWDRHSXCA-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-112579
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(OC)c(OC)cc1)C	PC-id_8359204	375.439	HFDPEAWDRHSXCA-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112580
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC)ccc(OC)c1)C	PC-id_51518594	375.439	MEHRJZJAFSVNOD-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-112581
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC)ccc(OC)c1)C	PC-id_51518595	375.439	MEHRJZJAFSVNOD-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112582
s1c2CCCc2c(c1N=Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_24129662	375.439	YVDKPTMLSVJGMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112583
s1c2c(CCC2)c(c1NC(=O)c1c(OC)c(OC)ccc1)C(=O)OCC	PC-id_7532980	375.439	WTZNCKUTPNFFKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112584
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(OC)cccc1)C)C(=O)OC	PC-id_4943173	375.439	QGBIUXQFZLJKFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112585
Fc1cc(CN(C(=O)NC(c2n3CCCc3nn2)C(C)C)C)ccc1OC	PC-id_60273714	375.44	HVCDIVKREKYUOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112586
O=C(CSc1ncc(c2ccc(F)cc2)o1)Nc1nc2c(s1)CCC2	PC-id_71891408,ZINC22_53675935,MCULE-7578345947,EMOLS-id_44537494	375.44	ZJVSNMJNXWZLBP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112587
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)n(C)nc2CSCc12	MCULE-8129221956	375.442	BETXBVNZWQMAED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112588
c1(NC(=O)CCNC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334342307,MCULE-7897200601	375.442	QMHZKHNBMQPQLM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112589
c1(OC)ncc(CCC(=O)Nc2sc3CCCc3c2C(=O)OCC)cn1	EMOLS-id_328082385,MCULE-3024248858	375.442	YZMCRSKGRJJCHX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112590
Cc1cc(cc(=O)o1)OC1CCN(CC1)C(=O)Cn1c2c(CSC2)cn1	PC-id_90629177	375.442	WRWVNPWBMWOXLU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-112591
CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218579,PC-id_8105660,ZINC22_6880164	375.442	OCVZKHLAUYCPCV-AWEZNQCLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112592
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_8105661,ZINC22_6880166,CoCoCo_3218580	375.442	OCVZKHLAUYCPCV-CQSZACIVSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112593
CC(C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1ccco1)C	EMOLS-id_3534266,PC-id_16260892,MCULE-4421975871	375.442	OCVZKHLAUYCPCV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112594
CCCOc1ccc(/C=c/2sc3nc(COC)nn3c2=O)cc1OCC	EMOLS-id_324901381	375.442	DHNQXLKRBDCXHJ-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112595
COc1cc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc(OC)c1OC	EMOLS-id_324858080	375.442	CUMXPJNWKRDVGM-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112596
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc(OC)c1OC	EMOLS-id_324851939	375.442	LJFDRMGYHQCRQC-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-112597
COc1ccc(cc1OC)CNC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_6463152,PC-id_35572144	375.442	VKNSSVXKRKMBEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112598
COc1cc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc(OC)c1OC	EMOLS-id_334563002	375.442	BETXBVNZWQMAED-AATRIKPKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112599
COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)c2cc3c(s2)CCC3)nn1	PC-id_96999488,ZINC22_83897555	375.442	PCSXVJRCSLJVEJ-ZIAGYGMSSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112600
COC(=O)c1cn([C@H]2CCCC[C@H]2OC(=O)c2cc3c(s2)CCC3)nn1	PC-id_96999489,ZINC22_83897558	375.442	PCSXVJRCSLJVEJ-UONOGXRCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112601
COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2cc3c(s2)CCC3)nn1	ZINC22_83897551,PC-id_96999486	375.442	PCSXVJRCSLJVEJ-KGLIPLIRSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112602
COC(=O)c1cn([C@H]2CCCC[C@@H]2OC(=O)c2cc3c(s2)CCC3)nn1	ZINC22_83897553,PC-id_96999487	375.442	PCSXVJRCSLJVEJ-KBPBESRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112603
COC(=O)c1nnn(c1)C1CCCCC1OC(=O)c1sc2c(c1)CCC2	MCULE-5496412242,EMOLS-id_44549256,PC-id_47593231	375.442	PCSXVJRCSLJVEJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112604
n12c(=O)c(=Cc3cc(OC)c(c(OC)c3)OC)sc1nc(C(C)(C)C)n2	MCULE-9882638709	375.442	LJFDRMGYHQCRQC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112605
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)COC	MCULE-1644186204	375.442	DHNQXLKRBDCXHJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112606
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)CC(C)C	MCULE-2959881356	375.442	CUMXPJNWKRDVGM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112607
O=C(c1cc(ccc1OCC1CC1)S(=O)(=O)C)N1Cc2c(C1)cnn2C	SCHEMBL17213931,PC-id_118479086	375.442	WSVPVPHLYXUIMU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-112608
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)C(=O)CN1C(=O)CCC1=O	EMOLS-id_98349640	375.442	SLAPECSSGIOZDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112609
OC(=O)C(NC(=O)C1Cc2c(S1)n(nc2C)C)COCc1ccccc1	PC-id_70651740,SCHEMBL12072161	375.442	KVUMMUBKXCOKNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112610
O=S(=O)(c1cnc2n1CCC2)Nc1ccc2c(c1)OC1(O2)CCCCC1	EMOLS-id_100457128	375.442	ARUTUWKKSMXRFA-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-112611
s1c2CCCc2cc1C(=O)NNC(=O)c1[nH]c(c(c1C)C(=O)OC)CC	PC-id_27684575	375.442	AXDIENXHJYTIGH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112612
s1c2CCCc2c(c1NC(=O)COC(=O)CN1CCCCCC1=O)C#N	PC-id_7727478	375.442	CTTPAFLDZFEUIA-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-112613
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)[O-])C(=O)OC	PC-id_27520551	375.442	OLTKSAQAZUYILK-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-112614
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCOC	PC-id_16947841	375.442	DDOBEXSCGBQNJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112615
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCC	PC-id_16947992	375.442	KMRNGLPDEWEBBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112616
c1(cccnc1c1ccc(cc1)OC)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8809403223,EMOLS-id_328190227	375.444	NZNQQBXGZARUNO-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-112617
Cc1ccc(/C=C/c2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324921857	375.444	NNRHMQOJRQNHHC-BLPDYOKRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112618
CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_45970096,ZINC22_27021524	375.444	IPRCMSKXCZWJKE-LWOKMJCDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112619
CCOc1ccccc1/C=c
/sc2nc(/C=C/c3ccccc3)nn2c1=O	ZINC22_16779395	375.444	IPRCMSKXCZWJKE-MEAXDALNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112620
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_324916232	375.444	JOYWQPXDAJAWBZ-LQZBDKQGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112621
CCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27022601,EMOLS-id_45970574	375.444	JOYWQPXDAJAWBZ-BHTJOUODSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112622
CCOc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_4318651,EMOLS-id_45964943	375.444	NDGXRPUOKBMJTD-RWVXMSMHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112623
COc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O	ZINC22_16807428	375.444	GNXXCTYCIGDBCH-RZMWGWOTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112624
COc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O	ZINC22_26842418,EMOLS-id_45975630	375.444	GNXXCTYCIGDBCH-FEYWXZCKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112625
COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_45975628,ZINC22_26842413	375.444	RQZNPUCZRXKRJE-KTYKIUSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112626
COc1ccc(/C=c/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	ZINC22_16779414	375.444	RQZNPUCZRXKRJE-HEMGCLFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112627
COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(C)cc4)/c(=O)n3n2)cc1	ZINC22_16807430,EMOLS-id_45970296	375.444	BGSBRCBAPUPEED-HEMGCLFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112628
COc1cccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1	ZINC22_16735437,EMOLS-id_45966225	375.444	JCDOAKUKUIIRRQ-JAVCTNCCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112629
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-7815030573	375.444	BGSBRCBAPUPEED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112630
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)C=Cc1ccc(cc1)C	MCULE-7519381712	375.444	NNRHMQOJRQNHHC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112631
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)C=Cc1ccc(cc1)C	MCULE-7658926402	375.444	GNXXCTYCIGDBCH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112632
n12nc(nc1sc(=Cc1ccccc1OCC)c2=O)C=Cc1ccccc1	MCULE-1877844210	375.444	IPRCMSKXCZWJKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112633
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)C=Cc1ccccc1	MCULE-1899821215	375.444	JOYWQPXDAJAWBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112634
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-9581027842	375.444	JCDOAKUKUIIRRQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112635
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)C=Cc1ccccc1	MCULE-6240327396	375.444	NDGXRPUOKBMJTD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112636
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)C=Cc1ccc(cc1)C	MCULE-6592950789	375.444	RQZNPUCZRXKRJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112637
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1sc(nc1C)C	EMOLS-id_207863046,MCULE-8607033912	375.445	WGUZYENICUCJQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112638
c12SCCn1cc(CNC(=O)Nc1ccc(c(C(=O)N(C)C)c1)OC)n2	MCULE-8632189509,EMOLS-id_49664722,ZINC22_97642422,PC-id_74242755	375.445	FTYXKIMZTOVZHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112639
CCc1cc(CN2C(=O)CCN(CCc3cn4c(n3)SCC4)C2=O)on1	ZINC22_1875293539	375.445	UKCSXTGGBNFIOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112640
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1	ZINC22_8767563,PC-id_17555816,MCULE-5971429221,EMOLS-id_11987754,CoCoCo_4525772	375.445	GJUUGSYVPXJOEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112641
Cn1cnc(c1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109644	375.445	FYGAVTBCYYQAIY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-112642
CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc(N2CCCC2=O)cc1	CoCoCo_4491308,EMOLS-id_25651348,ZINC22_32876315,MCULE-7529927297,PC-id_40111142	375.445	ZJENTQKUSMRVDZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112643
NCCCNC(=O)c1cc(ccc1OC)NC(=O)c1nc2n(c1)CCS2	SCHEMBL10182196,PC-id_68055994	375.445	UTXLORGOIRPKTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112644
O=C(c1ccc(cc1)NC(=O)c1cn2c(n1)CCC2)N=S(=O)(N(C)C)C	EMOLS-id_278194198	375.445	UCFKTYFVOGSXDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112645
O=C(N1CCCC1)Nc1ccccc1NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100967782	375.445	IUQODDYIWPGGPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112646
O=C(N1CCn2c1ncc2)Nc1ccccc1S(=O)(=O)N1CCCCC1	EMOLS-id_318971559	375.445	UVXXRHCWEMBFQE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112647
O=C(OC(C)(C)C)Nc1[nH]nc2c1SC(N2)Nc1cccc(c1)C(=O)C	PC-id_143466168	375.445	ZDEXAPBPADMYSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112648
Cc1ccc(cc1F)C(=O)c1c(NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_331238245	375.457	SIRHMHXRYMLJDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112649
C(C)(C)(C(=O)Nc1sc2CCCc2c1C(=O)OCC)c1ccccc1F	EMOLS-id_328179144,MCULE-2342607742	375.457	QKUFAGMZXWGHEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112650
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CC=C2C(=O)OCCC	SCHEMBL10814063,PC-id_88672236	375.46	YOFOHGOHCQQUNE-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-112651
Fc1ccc(cc1)C1COCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010818	375.46	WRNMJFJOFXIMCQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112652
Fc1ccc(cc1)C1OCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000066	375.46	ZRWRKRQZFPEIEW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112653
Fc1cccc(c1)C1OCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001947	375.46	YVSCSEANQQCFDA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112654
O=C(N1CCOC(C1)c1ccccc1F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001944	375.46	OYJUWKKDAOYIHJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112655
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1ccc(F)cc1)C)C)C(=O)N	PC-id_51435194	375.46	FDMLFMMKLQEBGQ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-112656
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1ccc(F)cc1)C)C)C(=O)N	PC-id_51435196	375.46	FDMLFMMKLQEBGQ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112657
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1c(F)cccc1)C)C)C(=O)N	PC-id_29681818	375.46	YJAKQWNYOPGBDH-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112658
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1c(F)cccc1)C)C)C(=O)N	PC-id_29681823	375.46	YJAKQWNYOPGBDH-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-112659
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1ccc(F)cc1)C)C)C(=O)N	PC-id_51243434	375.46	FDMLFMMKLQEBGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112660
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c(F)cccc1)C)C)C(=O)N	PC-id_24506947	375.46	YJAKQWNYOPGBDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112661
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1ccc(F)cc1	PC-id_44060316	375.46	GNBBQDJUJOKMLX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112662
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1c(F)cccc1	PC-id_44060315	375.46	YLDGBPWBSDBRPK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112663
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCCC(C)C	PC-id_16947205	375.46	RFQZIWKVGHZIBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112664
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCCCCC	PC-id_16947232	375.46	FQPIHVSEJRVTLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112665
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccc(cc1)C)C(=O)O	SCHEMBL13786733,PC-id_57791600	375.462	NTPAUQXHSOKOJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112666
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccccc1)C(=O)OC	PC-id_69016954,SCHEMBL4363139	375.462	HILIQRGRZNGOPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112667
CCOc1ccccc1OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_91131437	375.462	OUUYMGRNZQLPFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112668
COC(=O)c1c(NC(=O)C[N@H+](C2CC2)Cc2ccco2)sc2c1CCC2	GD-id_ZINC28072357	375.462	SCJMRTXABKPMQD-UHFFFAOYSA-O	00100010101000000000000010000000000000000000000000000000	25-01-112669
s1c2c(c(C(=O)NC3CC3)c1NC(=O)C1C(CCCC1)C(=O)[O-])CCC2	PC-id_74533694	375.462	WKSIYLJMSIUWGQ-UHFFFAOYSA-M	00100010100010000000000010000000000000000000000000000000	25-01-112670
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])CCC2	PC-id_27520561	375.462	WKSIYLJMSIUWGQ-NWDGAFQWSA-M	00100010100010000000000010000000000000000000000000000000	25-01-112671
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])CCC2	PC-id_27520563	375.462	WKSIYLJMSIUWGQ-RYUDHWBXSA-M	00100010100010000000000010000000000000000000000000000000	25-01-112672
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])CCC2	PC-id_27520565	375.462	WKSIYLJMSIUWGQ-VXGBXAGGSA-M	00100010100010000000000010000000000000000000000000000000	25-01-112673
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])CCC2	PC-id_27520567	375.462	WKSIYLJMSIUWGQ-NEPJUHHUSA-M	00100010100010000000000010000000000000000000000000000000	25-01-112674
COc1ccc(cc1)C(CC(=O)NCc1n[nH]c2CCCc12)c1ccccc1	EMOLS-id_20407378,PC-id_45172098,MCULE-7229738894	375.463	LODVVKKUZOEQOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112675
COc1ccc([C@@H](CC(=O)NCc2n[nH]c3c2CCC3)c2ccccc2)cc1	PC-id_42097219,CoCoCo_1141561,CoCoCo_1141563,ZINC22_11663703	375.463	LODVVKKUZOEQOR-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112676
COc1ccc([C@H](CC(=O)NCc2n[nH]c3c2CCC3)c2ccccc2)cc1	PC-id_42097220,CoCoCo_1141562,CoCoCo_1141560,ZINC22_11663704	375.463	LODVVKKUZOEQOR-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112677
O=C(NCc1ccc(Oc2ccc(cc2)C)cc1)c1n(nc2C(CCc12)C)C	PC-id_15008435	375.463	DGOSVRFEWKNRAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112678
CC1=C([S]=C(N1)c1ccc(F)cc1)C(=O)Nc1c2CSCc2nn1C	EMOLS-id_320523838	375.464	BUBBLDAMOLNJFJ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-112679
O=C(N1CCN(CC1)c1ncccc1F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005619	375.464	KQJAZYVSZMITKJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-112680
c1(C(=O)N[C@H]2[C@H](O)C[C@H](C2)C(=O)N2CCCN(C)CC2)c2CCCc2[nH]n1	EMOLS-id_337786134,MCULE-9452221208,ZINC22_2356140473	375.465	KIYMRUZLTGAKCZ-APHBMKBZSA-N	00000010100000000101000010000000000000000000000000000000	25-01-112681
c1(C(=O)N[C@@H]2CN([C@H](C(=O)NCC)C2)C2CCOCC2)c2CCCc2[nH]n1	ZINC22_95517453,EMOLS-id_48638032,PC-id_72895247,MCULE-8718980313	375.465	WLPCANCANWRHCQ-LRDDRELGSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112682
c1(NC(=S)NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)N	PC-id_4504469,EMOLS-id_4053052,SPECS-id_AP-970/41728530,SPECS-id_AN-153/I254800,MCULE-5391288845,TIMTEC105006,ZINC22_6762158,CoCoCo_6648405	375.465	COSAOUYWVLZGEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112683
c1(NC(=S)NC(=O)c2ccc(OC)cc2)sc2c(CCC2)c1C(=O)N	MCULE-7644101243,PC-id_4504478,ZINC22_6736465,TIMTEC270272	375.465	KQZVWEWRCHFDKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112684
c1(NC(=S)NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)N	ZINC22_6885397,TIMTEC151073,PC-id_4505183,MCULE-1824288551	375.465	FOEMRCQSPQXVMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112685
c1(NC(=S)NNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OC	TIMTEC575057,PC-id_4508589,MCULE-1203903290,CoCoCo_6797565,EMOLS-id_4053056	375.465	YNCWPRSPIXBVBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112686
Cc1ccc(cc1)S(=O)(=O)NCC(=O)Nc1sc2CCCc2c1C#N	MCULE-3851593834,EMOLS-id_328111382	375.465	FTFXUERFGYOVJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112687
Cc1csc(c1)C(=O)N1Cc2nc(COCc3csc(C)n3)oc2C1	ZINC22_2055713443,EMOLS-id_313726161	375.465	QDTGXZQAJJVTEH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-112688
CC(C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)Sc1ccc(cc1)N=O	SCHEMBL13183041,PC-id_89031920	375.465	SCLFLLGGGPZQSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112689
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_2906552,ZINC22_1514802,MCULE-2547580980,TIMTEC32169,PC-id_1548485,CoCoCo_3268234	375.465	GVXMBONKQZOSPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112690
COc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4504468,ZINC22_6762514	375.465	PNODDGSLSLUXHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112691
COc1ccc(cc1)NC(=S)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_17385612,MCULE-2984459145,SPECS-id_AN-153/I133547	375.465	ORMFIQLNTBKLKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112692
COc1ccccc1NC(=S)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_3599937,MCULE-3908923667,ZINC22_5586938	375.465	WHKPSIRRDLTPLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112693
s1c2c(CCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)N)C(=O)OC	PC-id_17299558	375.465	CWPXADBHYQGSHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112694
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)N)C(=O)OC	PC-id_20414684	375.465	JJRXOQYFYQTPHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112695
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1nccn1Cc1ccccc1	PC-id_70737839,EMOLS-id_44435127,MCULE-1569348368	375.467	NLXQSZYZNVKJRH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112696
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1[nH]ncc1Cc1ccccc1	EMOLS-id_36593546,PC-id_56750341,MCULE-4811534078	375.467	XCSNFCLFLHGHMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112697
c1(CN(C)C(=O)c2ccc(cc2)c2ccc(nn2)C(C)C)c2CCCc2[nH]n1	ZINC22_534577621,PC-id_122556469,MCULE-4565438215,EMOLS-id_177362910	375.467	APGRXDJGNGSAOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112698
c1(CN(C)C(=O)Nc2ccccc2CCc2ccccn2)c2CCCc2[nH]n1	ZINC22_299764106,PC-id_118768871,EMOLS-id_68887311,MCULE-8165335216	375.467	SOCDIYTXRYOKIU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112699
Cc1cccc(Nc2ccccc2C(=O)N(C)Cc2nnc3n2CCC3)c1C	EMOLS-id_44547274,MCULE-2326031735,ZINC22_84219051,PC-id_71886699	375.467	GCHOXNZXLJWPNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112700
CCN(c1ccccc1)C(=O)Cc1ccc(cc1)NC1CC(n2c1ncn2)C	EMOLS-id_319278282	375.467	HWRKOQDHVCHCEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112701
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1	PC-id_96575447,ZINC22_82108950	375.467	NLXQSZYZNVKJRH-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112702
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccn2Cc2ccccc2)C1	PC-id_96575448,ZINC22_82108951	375.467	NLXQSZYZNVKJRH-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112703
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1	PC-id_95202763,ZINC22_67692878	375.467	XCSNFCLFLHGHMQ-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112704
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1	ZINC22_67692876,PC-id_95202762	375.467	XCSNFCLFLHGHMQ-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112705
O=C(NCCC(c1ccccc1)c1ccccc1)NCc1nnc2n1CCC2	ZINC22_24662095,MCULE-6597386454,CoCoCo_4782384,PC-id_31984175,EMOLS-id_24058916	375.467	NTIPELGJTGZCHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112706
C1CC1C(=O)Nc1nc2c(s1)C(NN2)NC(=O)CSc1ccccc1	PC-id_89358749,SCHEMBL14530872	375.468	RDSCYCRQBGTLAI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-112707
Cc1ccc(c(c1)C)c1nnc(s1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97704089	375.468	UZLXODNDJANBDR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112708
CC(c1nnc2n1CCC2)NS(=O)(=O)c1csnc1c1ccccc1	MCULE-2116655705,EMOLS-id_319887791	375.468	TXVUGIBHHUKKCO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112709
n1c2CCCc2sc1CCNC(=O)c1ccc(CSc2nnc[nH]2)o1	MCULE-6324140657,PC-id_118761977,EMOLS-id_68871941,ZINC22_299763080	375.468	YHBYPWUBCYGZHT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-112710
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(=O)C1CCCO1	PC-id_111301009	375.469	ILAYRFWEBHTDHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112711
O=C(N1CCN(CC1)CC(=O)N1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_97960960	375.469	ZSEVDZIKIRFLPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112712
O=C(NC(c1nnc2n1CCC2)C)NC1CCCN(C1)C(=O)N1CCCC1	EMOLS-id_98842491	375.469	QIHSAYOZMGVNPH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112713
s1c(C(=O)N2CC[NH+](CC2)Cc2cc(F)c(OC)cc2)cc2CCCc12	PC-id_9471538	375.48	ZNXHAVBCLVJBEQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-112714
s1c(C(=O)N2CC[NH+](CC2)Cc2c(OC)ccc(F)c2)cc2CCCc12	PC-id_9501281	375.48	ZAJDILKPKGEFAH-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-112715
COc1cc(COCC2(C=Cc3c2ccs3)N(C)C)cc(c1OC)OC	SCHEMBL9228783,PC-id_18947245	375.482	UNBNLUNEOSYMBQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-112716
COCC(n1c(C)cc(c1C)C(=O)COC(=O)c1sc2c(c1)CCC2)C	MCULE-1077624054,PC-id_16362126,EMOLS-id_257825418	375.482	ZIWYFHCQAFHXSX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112717
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n([C@H](COC)C)c(c1)C)C	PC-id_7623686	375.482	ZIWYFHCQAFHXSX-ZDUSSCGKSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112718
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n([C@@H](COC)C)c(c1)C)C	PC-id_7623688	375.482	ZIWYFHCQAFHXSX-CYBMUJFWSA-N	00000010110000000000000010000000000000000000000000000000	25-01-112719
c1(c2CCCc2sc1NC(=O)C1CCN(CC1)C(=O)C)C(=O)NC1CC1	EMOLS-id_2293097,CoCoCo_1050468,MCULE-2093787520,TIMTEC71146,PC-id_6468788,ZINC22_6730954	375.485	BDELSWUGDIFKBF-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-112720
c1(NC(=O)c2ccc(cc2)OC(C)C)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_5443061,MCULE-1391826616,ChEMBL-DNDi_CHEMBLF0561-0757,PC-id_2160485	375.485	DUAVQNRTMRFJKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112721
c1(NC(=O)c2ccc(c(OCC)c2)OCCCC)n(C)nc2CSCc12	EMOLS-id_334564030,MCULE-3202510380	375.485	GGCPGFUJCCEBQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112722
c1(NC(=O)Cc2ccc(c(OC)c2)OC)c2CSCc2nn1C(C)(C)C	PC-id_3279397,EMOLS-id_4932527,MCULE-8635405067,ZINC22_4087650,CoCoCo_4980063	375.485	LILUQJMTOMISPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112723
c1(NC(=O)C(CC)c2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBL1387660,MCULE-5169580754,CHEMBL1387660,PC-id_3248492,EMOLS-id_5438357	375.485	DOJDGCRHEKLNGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112724
c1(NC(=O)CCCc2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-5529558570,EMOLS-id_5531011,CoCoCo_5065654,ZINC22_5077920,PC-id_7484604	375.485	JIHNTKKOZMUXKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112725
c1(NC(=O)COc2ccc(cc2C(C)(C)C)OC)n(C)nc2CSCc12	EMOLS-id_334561468,MCULE-8669156805	375.485	CSFPCKUCJZLRRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112726
c1(NC(=O)COc2ccc(cc2)OCC)c2CSCc2nn1C(C)(C)C	ZINC22_4341918,ChEMBL-DNDi_CHEMBLF1878-0043,MCULE-7284110622,PC-id_7200109,EMOLS-id_5530911,CoCoCo_5065565	375.485	ITQRWSFOXLIIMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112727
Cc1cccc(c1)CC1(O)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100373286	375.485	FXZGNNCUQDROFY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112728
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327901849,MCULE-3866897906	375.485	ARHBEELVYFNMRF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112729
CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328079512,MCULE-4548130466	375.485	DMLPXHRLHOLKSM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112730
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-9144021112,EMOLS-id_327877298	375.485	GVVBAXARUJKFHI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112731
CC[C@@H](C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2)c1ccccc1	CoCoCo_4982177,PC-id_7031848,ZINC22_3008430	375.485	DOJDGCRHEKLNGZ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112732
CC[C@H](C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2)c1ccccc1	ZINC22_3008429,CoCoCo_4982178,PC-id_7031847	375.485	DOJDGCRHEKLNGZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112733
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1	CoCoCo_4985625,PC-id_11863936,ZINC22_4106266	375.485	DUAVQNRTMRFJKJ-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-112734
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1	CoCoCo_4985626,ZINC22_2725118,PC-id_11877784	375.485	DUAVQNRTMRFJKJ-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112735
COc1ccc(cc1)C1CCCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100204954	375.485	OACSPFXTVDYUQZ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-112736
COc1ccccc1C1CCC(CN1S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_98569083	375.485	XFEJFZDJBXJKQQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112737
O=S(=O)(c1cnc2n1CCC2)Nc1cccc(c1)COC1CCCCC1	EMOLS-id_100970791	375.485	PYLHBXOJPATOHI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112738
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C1OCCO1)C#N	PC-id_56526746	375.485	QWNROMSONREGHN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112739
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)C1OCCO1)C#N	PC-id_56526891	375.485	VXLHRHFIRBDYEV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112740
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)OCC)C#N	PC-id_24588636	375.485	GROCBTXCEKCFBK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112741
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)C(=O)OCC)C#N	PC-id_24588720	375.485	JZWCKUWKAKEGTP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112742
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)c2c(cc(cc2C)C)C)C1	PC-id_3424577	375.485	CDKFGHRKGSCGHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112743
CCc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324906507	375.487	TUIAJQHDJWZBRC-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-112744
CC(C)c1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324837622	375.487	OAYAQXTYVBIUJG-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-112745
CC(C)(C)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324837363	375.487	BSSKLHVOVMRFCT-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-112746
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)CCc1ccc(cc1)C	MCULE-1246309200	375.487	TUIAJQHDJWZBRC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112747
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)CCc1ccccc1	MCULE-4796939322	375.487	OAYAQXTYVBIUJG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112748
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)Cc1ccccc1	MCULE-1663736041	375.487	BSSKLHVOVMRFCT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112749
CC1CCCCN1c1ncc(cc1C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97699127	375.488	QFQPIEGRZNJTMX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-112750
Cc1nc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)cs1	EMOLS-id_313736404,ZINC22_1565554542	375.488	UWMKCWBLWWQLKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112751
CCN(Cc1noc(C2CCC2)n1)C(=O)NCCc1nc2c(s1)CCC2	MCULE-5582801354,ZINC22_584898385,EMOLS-id_177467696	375.488	ZLMIUDVMRZWWNO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-112752
O=C(N1CCN(CC1)Cc1noc(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999973	375.488	KWAYPJJHLIEJBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112753
O=C(N1CCN(CC1)Cc1onc(c1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999997	375.488	QWKKYDIMCMQCTB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112754
O=C(Nc1cnn(c1C)C1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010749	375.488	XOVULVPFYWLMHJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112755
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCOC(C1)c1ccnn1C	EMOLS-id_102010833	375.488	CGPPLOIZPLOXHS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112756
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCOC(C1)c1nccn1C	EMOLS-id_102010863	375.488	ALBILFDGOAKJPN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112757
O=C(Nc1sc2c(n1)CCC2)CN1CCN(CC1)Cc1c(C)noc1C	PC-id_95150378	375.488	WZIYIFZOCWIJQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112758
c1(C(=O)NCCc2sc3c(CCC3)n2)cn(nn1)CCN1CCNCC1	PC-id_70786761,ZINC22_77554710,EMOLS-id_43605157,MCULE-8874423925	375.492	ICUIJKSXBWBAHB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112759
CCc1nsc(n1)N1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101417103	375.492	PIIGGPIBDHGFPB-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-112760
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CSc1nnnn1C	PC-id_92109695	375.492	HHBHVQXBWIAKQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112761
CN=C(N1CCN(CC1)c1snc(n1)CC)NCc1nnc2n1CCC2	PC-id_109527159	375.495	IYJNWTMJZFXPNZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112762
s1c2c(c(C[NH+]3CC[NH+](CC3)C)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_4395048	375.503	YQPWBCYGLUIESZ-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-112763
s1c2c(c(C[NH+]3CC[NH+](CC3)C)c1NC(=O)c1c(F)cccc1)CCC2	PC-id_4395047	375.503	LCVKDTPMRKJMAU-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-112764
c1(NC(=O)CSc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-2131570464,PC-id_1654235,ZINC22_1927553,EMOLS-id_30110074,ChEMBL-DNDi_CHEMBLF1016-0723,CoCoCo_5021932	375.505	NIEZSKGABXHYQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112765
CC(C(=O)N1CCCC1c1cccs1)OC(=O)c1sc2c(c1)CCC2	EMOLS-id_44524059,PC-id_71898737,MCULE-4647192475	375.505	SIKPLSQBLGQMAW-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-112766
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCC[C@@H]1c1cccs1	ZINC22_28079011	375.505	SIKPLSQBLGQMAW-TZMCWYRMSA-N	00000010100100000000100010000000000000000000000000000000	25-01-112767
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCC[C@@H]1c1cccs1	ZINC22_28079017	375.505	SIKPLSQBLGQMAW-GXTWGEPZSA-N	00000010100100000000100010000000000000000000000000000000	25-01-112768
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCC[C@H]1c1cccs1	ZINC22_28079023	375.505	SIKPLSQBLGQMAW-OCCSQVGLSA-N	00000010100100000000100010000000000000000000000000000000	25-01-112769
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCC[C@H]1c1cccs1	ZINC22_28079028	375.505	SIKPLSQBLGQMAW-JSGCOSHPSA-N	00000010100100000000100010000000000000000000000000000000	25-01-112770
CCOC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCC2	ZINC22_408575776	375.505	QYOXZWIYEIRDKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112771
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccccc2)sc2c1CCC2	ZINC22_408564151	375.505	SBIKZQMNBBMSLU-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112772
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccccc2)sc2c1CCC2	ZINC22_408564154	375.505	SBIKZQMNBBMSLU-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112773
CCOC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CCC2	ZINC22_5736291,PC-id_7784827	375.505	NLLORCUHZZZQPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112774
COC(=O)c1c(NC(=O)CCSc2ccc(C)cc2)sc2c1CCC2	ZINC22_5191332,PC-id_7545362	375.505	XRPHDISOHOFIHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112775
COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)sc2c1CCC2	ZINC22_408575997	375.505	QBVWZJBBIJXMGZ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112776
COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(C)cc2)sc2c1CCC2	ZINC22_408576001	375.505	QBVWZJBBIJXMGZ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112777
COC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CCC2	ZINC22_408564623	375.505	YVZGUWSEOLTQRE-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112778
COC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCC2	ZINC22_408564625	375.505	YVZGUWSEOLTQRE-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112779
COC(=O)c1c(NC(=O)CSCc2ccccc2C)sc2c1CCC2	ZINC22_408576462	375.505	VHIXHWDDOOSQHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112780
COC(=O)c1c(NC(=O)CSCc2ccc(C)cc2)sc2c1CCC2	ZINC22_408576338	375.505	SOXNWLJGZUPFIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112781
O=C(c1cc2c(s1)CCC2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	PC-id_8024134,ZINC22_6649464,CoCoCo_3272515	375.505	OUCLWVYYNUFYNM-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112782
O=C(c1cc2c(s1)CCC2)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	PC-id_8024136,CoCoCo_3272516,ZINC22_6649469	375.505	OUCLWVYYNUFYNM-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112783
O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1)c1sc2c(c1)CCC2	EMOLS-id_3522052,MCULE-2121246531,PC-id_16258573	375.505	OUCLWVYYNUFYNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112784
s1c2CCCc2cc1C(=O)OCC(=O)NCCCSc1ccccc1	PC-id_24476015	375.505	VRTDXGRHOGGYAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112785
s1c2CCCc2cc1C(=O)OCC(=O)NCCSc1ccc(cc1)C	PC-id_8948189	375.505	NXUZIBHWPQNVHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112786
s1c2c(CCC2)c(c1NC(=O)c1ccc(SCC)cc1)C(=O)OCC	PC-id_7579213	375.505	UPCPNBNKXLLSPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112788
s1c2c(CCC2)c(c1NC(=O)c1ccc(SC(C)C)cc1)C(=O)OC	PC-id_41147495	375.505	UCKAMYMQCRSGKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112789
s1c2c(CCC2)c(c1NC(=O)c1cc(SCC)ccc1)C(=O)OCC	PC-id_7578809	375.505	QWMIYYRJKMUPSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112790
s1c2c(CCC2)c(c1NC(=O)c1cc(SC(C)C)ccc1)C(=O)OC	PC-id_41146896	375.505	PADZJHMVUSTJQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112791
s1c2c(CCC2)c(c1NC(=O)c1c(SCC)cccc1)C(=O)OCC	PC-id_7578435	375.505	JBNMTDJNBDGPKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112792
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC)cc1)C(=O)OCC	PC-id_41126343	375.505	KJPMSDGVKHSXON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112793
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SCC)cc1)C(=O)OC	PC-id_41139451	375.505	SQLQIZZDDNYOJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112794
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccccc1)C(=O)OC	PC-id_41085852	375.505	DPGLTMQBBQXOHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112795
c1(CN(C)C(=O)NC2(CCCCC2)CN2CCOCC2)c2CCCc2[nH]n1	ZINC22_534575318,MCULE-8405462972,EMOLS-id_177358453,PC-id_122555957	375.508	UCGJKMMEVHMJKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112796
c1(C(=O)N2CCC(CC2)C(O)CN2CCCN(C)CC2)c2CCCc2[nH]n1	MCULE-2309821150,EMOLS-id_330433541	375.508	FPJXHDJDXISJAJ-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-112797
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)CC3CCN(CC3)C(C)C)C2)n1	MCULE-9628827820,EMOLS-id_316328251	375.508	CJERUEQCKDQFQM-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112798
Cc1csc(CC(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1	EMOLS-id_13498969,PC-id_17458972,MCULE-5861905995,CoCoCo_4094532,ZINC22_14169199	375.508	RLYLCOVYTYKLRC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112799
Cc1ncsc1C(=O)NC1CCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC22_65022030,EMOLS-id_44561335,PC-id_71881313,MCULE-5445945404	375.508	HFNQOAHCNJLULB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112800
CCN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)CC(C)C	PC-id_54586825,BindingDB_PC-id_54586825	375.508	NCSLRHGXEKHUGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112801
CC(=O)N1CCCC1c1cc(c(s1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_145979061	375.508	AFPBEUKJRABOKQ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-112802
CN1CCCN(C[C@@H](O)C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1	ZINC22_1857716809	375.508	FPJXHDJDXISJAJ-GOSISDBHSA-N	00000010100010000101000010000000000000000000000000000000	25-01-112803
CN1CCCN(C[C@H](O)C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1	ZINC22_1857716810	375.508	FPJXHDJDXISJAJ-SFHVURJKSA-N	00000010100010000101000010000000000000000000000000000000	25-01-112804
NC(=O)c1c(NC(=O)CN2CCC[C@@H]2c2cccs2)sc2c1CCC2	CoCoCo_3600867,CoCoCo_3600865,ZINC22_9386231,PC-id_41045937	375.508	BULIHDDUHLAVFE-GFCCVEGCSA-N	00000010100100000000100010000000000000000000000000000000	25-01-112805
NC(=O)c1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCC2	PC-id_41045931,CoCoCo_3600868,ZINC22_9386227,CoCoCo_3600866	375.508	BULIHDDUHLAVFE-LBPRGKRZSA-N	00000010100100000000100010000000000000000000000000000000	25-01-112806
O=C(NC1Cc2n(C1)nc(c2)C(=O)NC(C)C)CC1CCN(CC1)C(C)C	MCULE-8765563254	375.508	CJERUEQCKDQFQM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112807
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCCC1c1cccs1	PC-id_17418288,EMOLS-id_11956941,MCULE-3130126300	375.508	BULIHDDUHLAVFE-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-112808
O=C(Nc1sc2c(c1C(=O)N)CCC2)NCCSCc1ccccc1	PC-id_138706255,SCHEMBL21082526	375.508	NAGDVRQAGIWUGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112809
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(N(C)C)cc1)C(=O)OC	PC-id_20414762	375.508	UMJUGXVLKZYOIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112810
CN=C(NCc1nnc2n1CCC2)NCC1(CCCCC1)N1CCOCC1	PC-id_111004317	375.512	KIYOBAHRTDGNCO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112811
O=C(N1CCN(CC1)C1CCN(CC1)C(C)C)NCc1nnc2n1CCC2	EMOLS-id_100883715	375.512	YZXSRGBNNACWCO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-112812
s1c2CCCc2c(c1NC(=O)CSc1n(CCCCC)cnn1)C#N	PC-id_8256921	375.512	REXHJUULAHFEEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112813
[Si](OC(O[Si]C)C(CC(F)(F)Cn1nc2n(CCC2)c1=O)(C)C)C	PC-id_68992436	375.519	BWBIYQXUCSNIIH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112814
N#Cc1c(NC(=O)CCN2CCC(CC2)OCC(C)C)sc2c1CCC2	PC-id_87022080	375.528	SZGWCAYJKUCNAF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112815
O=C(CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2)NC1CCCCC1	EMOLS-id_98294604	375.528	FUJZWTKQVUSENY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112816
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCCCCC1	ZINC22_34895940,PC-id_17428605,CoCoCo_4290482,MCULE-5411837019	375.528	JAYFYPLKENMRPV-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-112817
O=C(NC1CCCCC1)NC1CCN(C(=O)c2cc3c(s2)CCC3)CC1	EMOLS-id_44547014,PC-id_71886823,ZINC22_56247552,MCULE-5003574364	375.528	VDPMAASRFBKXJJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-112818
CCNC(=NCc1nnc2n1CCC2)NCC(N1CCCCCC1)C(C)C	PC-id_111020605	375.555	TVTPZVBZHXQARS-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-112819
Ic1ccc(NC2CCc3sc(Cl)cc23)cc1	PC-id_81251944	375.656	FCFRZNKIMKOMEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112820
Ic1cc(NC2CCc3sc(Cl)cc23)ccc1	PC-id_81252049	375.656	KLJGENIMFPVRGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112821
Ic1c(NC2CCc3sc(Cl)cc23)cccc1	PC-id_81252050	375.656	FSTUHLQQBPWFML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112822
COc1cc(F)c(cc1C(c1sc2c(c1)CCC2)Cl)Br	PC-id_103396220	375.684	FKNWJRFZACBWAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112823
NNC(c1ccc(c(c1F)Cl)Br)c1sc2c(c1)CCC2	PC-id_106765459	375.687	XPEAKRCAWRVWQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112824
C1Cc2c(c(c(n2C1)C(=O)Nc1cc(c(cc1)F)C#N)Cl)C(=O)C(=O)O	PC-id_134599105,SCHEMBL20253012	375.738	DXRPTKULJOMNHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112825
Clc1ccc(cc1)n1nnnc1CCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481404,SCHEMBL5542732	375.77	UABRYPKQGIQPLR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112826
Cc1onc(c2c(F)cccc2Cl)c1C(=O)NCc1nnc2n1CCC2	MCULE-3841252947,EMOLS-id_29582418,ZINC22_36396573,CoCoCo_4491062,PC-id_45863437	375.785	ZBMUXXMVTGHFSN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112827
n12ncnc1sc(=CN1C(C(=O)O)CC(=N1)c1ccc(cc1)Cl)c2=O	MCULE-2347816713	375.79	TXQYEWFAHOJVIZ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-112828
OC(=O)C1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(Cl)cc1	PC-id_117588154,EMOLS-id_190367008	375.79	TXQYEWFAHOJVIZ-SDQBBNPISA-N	00000011100000110001100010000000000000000000000000000000	25-01-112829
O=C(O)[C@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(Cl)cc1	ZINC22_256028104	375.79	TXQYEWFAHOJVIZ-MDUDVEDUSA-N	00000011100000110001100010000000000000000000000000000000	25-01-112830
O=C(O)[C@@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(Cl)cc1	ZINC22_256028105	375.79	TXQYEWFAHOJVIZ-RMCZBGCRSA-N	00000011100000110001100010000000000000000000000000000000	25-01-112831
CCOC(=O)c1cccc(c1)C(=O)c1cc(c2n1CCC2C(=O)OC)Cl	SCHEMBL11000909,PC-id_20404983	375.803	DJAAVAOFGKBPDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112832
Clc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1C)C(=O)c1ccccc1	SCHEMBL11047906,PC-id_53944837	375.803	JAILJVXWDQVCOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112833
[C@H]1(c2ccccc2Cl)NC(=O)CO[C@@H]1C(=O)NCc1nnc2CCCn12	ZINC22_1529152257,EMOLS-id_316177105,MCULE-9998821092,PC-id_134703839	375.81	RFQDUDFZIGENCI-CVEARBPZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112834
Clc1cc(N)c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7864436	375.829	LTUWSWDOANHSPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112835
Clc1c(N)cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7968021	375.829	ORHYZTJHVCNFGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112836
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(c1)C#N	PC-id_8976307	375.829	KMKXNOMZWAMGAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112837
Clc1nc2SCCn2c1/C=N/N1CCN(C1=O)C(=O)c1ccccc1	PC-id_24850777	375.833	SYKDJUPLIQABNG-VCHYOVAHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112838
Clc1nc2SCCn2c1C=NN1CCN(C1=O)C(=O)c1ccccc1	PC-id_74332706	375.833	SYKDJUPLIQABNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112839
CCCCc1cc2n(c1C(=O)c1occc1Cl)CC=C2C(=O)OC(C)C	SCHEMBL11660950,PC-id_70628965	375.846	SFASBJURBKEQEU-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-112840
CCCCOc1ccc(cc1)C(=O)c1c(Cl)cc2n1CCC2C(=O)OC	PC-id_20528113,SCHEMBL11272808	375.846	FSDLDTXTGWXGMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112841
Clc1ccc(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1	EMOLS-id_324847856	375.852	ATFADYHBDSSPOA-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-112842
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)Cc1cccs1	MCULE-5209991470	375.852	RHHADNVDWAYYTG-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-112843
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC2	PC-id_30094103,CoCoCo_4560482,ZINC22_22191480	375.853	OHZNJXVTYAYLCA-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112844
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCC2	ZINC22_22191484,PC-id_30094105,CoCoCo_4560481	375.853	OHZNJXVTYAYLCA-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112845
CC(C(C(=O)NCc1nnc2n1CCC2)NC(=O)c1ccc(cc1)Cl)C	EMOLS-id_25654552,PC-id_42934307,MCULE-5907643070	375.853	OHZNJXVTYAYLCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112846
CCN(C(=O)c1cc(ccc1Cl)NC(=O)N1CCn2c1ncc2)C(C)C	EMOLS-id_319256219	375.853	JJRPMTCZAVDUDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112847
Clc1cc(ccc1NCCN1CCOCC1)C(=O)N1CCn2c1ncc2	EMOLS-id_279043760	375.853	HDPWARIYOGOVOY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112848
Clc1ccccc1OCc1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324885515	375.853	YKURBSLRYZUXQN-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-112849
CN1CCC(CC1)Oc1ccc(cc1NC(=O)N1CCn2c1ncc2)Cl	EMOLS-id_319938064,MCULE-8713294766	375.853	SRCCJCAVTIQYLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112850
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1ccccc1Cl	MCULE-1460653824	375.853	YKURBSLRYZUXQN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-112851
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1ccc(Cl)cc1	MCULE-2934636732	375.853	ATFADYHBDSSPOA-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-112852
Oc1ccc(Cl)cc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324837106	375.853	RHHADNVDWAYYTG-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-112853
CC1C2=C(C(N1I)I)N=CO2	PC-id_147951845	375.857	INTOXKXCBPHGNG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112854
c1(CN(C2CCCC2)C(=O)c2ccc(F)cc2Cl)c2CCCc2n(C)n1	MCULE-7369946443,PC-id_86266585,EMOLS-id_50145338	375.868	HIHJGPDXHPGQAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112855
Fc1cccc(c1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cl	PC-id_92109783	375.868	HFZQDSMYCYXLIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112856
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-7872155341,PC-id_4198194	375.869	JDPZMPXBXKWRCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112857
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_4283420,MCULE-7355152317	375.869	BFWGXPCZOMKROW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112858
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_4557116,MCULE-4640748556	375.869	HJJGHHIYVUBZDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112859
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2	PC-id_1637654,EMOLS-id_327820910,ZINC22_1903840	375.869	BFWGXPCZOMKROW-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112860
CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2CCCc12	PC-id_1637566,EMOLS-id_327861582	375.869	HJJGHHIYVUBZDR-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112861
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2	PC-id_1666246,ZINC22_1940024,EMOLS-id_327855953	375.869	JDPZMPXBXKWRCC-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112862
Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)O)C(=O)c1sc2c(c1)CCC2	PC-id_121857586	375.869	SXPLIQNDOUWOFT-LSDHHAIUSA-N	00000010100000110000100010000000000000000000000000000000	25-01-112863
Clc1ccc(C(=O)c2c3CCCc3sc2NC(=O)C2CCOC2)cc1	MCULE-6022046697,PC-id_71884538,EMOLS-id_44554125	375.869	AMMGKPWHPCHKLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112864
Clc1ccc(C(=O)c2c3CCCc3sc2NC(=O)C2OCCC2)cc1	PC-id_71900150,EMOLS-id_44521015,MCULE-4431469476	375.869	OAMRYYQVDGMQFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112865
O=C(c1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	PC-id_97011799,ZINC22_84392557	375.869	OAMRYYQVDGMQFA-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112866
O=C(c1ccc(Cl)cc1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	ZINC22_84392560,PC-id_97011800	375.869	OAMRYYQVDGMQFA-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112867
O=C(c1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CCOC2)sc2c1CCC2	ZINC22_84392563,PC-id_97011801	375.869	AMMGKPWHPCHKLC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112868
O=C(c1ccc(Cl)cc1)c1c(NC(=O)[C@H]2CCOC2)sc2c1CCC2	ZINC22_84392567,PC-id_97011802	375.869	AMMGKPWHPCHKLC-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112869
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1CCN1	PC-id_135200350,SCHEMBL20353932	375.872	VCYLMMUEALZBAG-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-112870
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(Cc2ccc(cc2)Cl)C1	MCULE-1377275701,EMOLS-id_323379642	375.872	QJMDMYNMISNVGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112871
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCCC4)c3n2)cc1	PC-id_16947338	375.872	LYCFWRSIDUFACL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112872
Clc1ccc(s1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109467	375.872	FNCWMRAOHYMVIH-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-112873
Clc1ccc(cc1)OC1CCN(CC1)C(=O)c1cc2c(n1C)C=C[SH]2	SCHEMBL12099403	375.892	XAYGWIBLTUYDNU-UHFFFAOYSA-N	00000011100010110000000010000000000000000000000000000000	25-01-112874
c1(c(C)nc(c2ccc(cc2)Cl)s1)C(=O)Nc1sc2c(CCC2)n1	MCULE-7826971413,EMOLS-id_323308562	375.896	BJWOYFLITLCHMJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112875
c1(c(C)nc(c2ccccc2Cl)s1)C(=O)Nc1sc2c(CCC2)n1	MCULE-8043469811,EMOLS-id_323315487	375.896	RFUMKMAMYSRDFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112876
c1(C(=O)Nc2sc3c(CCC3)n2)nc(sc1c1ccc(cc1)Cl)C	MCULE-8083767367,EMOLS-id_323466497	375.896	KTDATAZZMSSZSB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112877
c1(NC(=O)Cc2csc(c3ccc(cc3)Cl)n2)sc2c(CCC2)n1	EMOLS-id_320497226,MCULE-4918474249	375.896	CSMJKBVORMZBRA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112878
c1(NC(=O)Cc2csc(c3ccccc3Cl)n2)sc2c(CCC2)n1	PC-id_33040183,EMOLS-id_320501317,MCULE-1158651782	375.896	IKJNSDMNWOONAD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112879
N#Cc1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)sc2c1CCC2	PC-id_5229612,ZINC22_6241799	375.896	GPIDQOBHLSMDNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112880
CCCCc1ccc(cc1)C(=S)c1c(Cl)cc2n1CCC2C(=O)OC	SCHEMBL11266349	375.912	JOSLILPIZDQKDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112881
CN([C@H]1Cc2c(C1)c(sc2C)C(=O)/C=C/c1cc(C)c(c(c1)Cl)O)C	PC-id_143295745	375.912	PHVFPQKNMDBXDY-GJBLVYBDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112882
Clc1ccc(CC(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cc1	PC-id_44060405	375.915	IGPGRIMVYHLKHK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-112883
Clc1ccc(C[NH+]2CCC(NC(=O)c3sc4c(CCC4)c3)CC2)cc1	PC-id_8590158	375.935	VXFMWGSEMSQYMZ-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-112884
O=C(N1Cc2c(C1)cn[nH]2)Cn1nc(c(n1)Br)Br	EMOLS-id_278816271	376.007	XRFMREVSDVAFKG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112885
COC(=O)C1=CC2=C(N1C(=O)[O-])CCC2CC3=CC(=CC=C3)Br	PC-id_154228851	376.019	GVPYHGYXJNKRGV-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-112886
CC1(CC2=C(C(=NN2C1)COC3CCCCO3)I)C	PC-id_150638136	376.065	IZICFDOBMDRYRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112887
BrC(c1sc2c(CCC2)c1)Cc1cc(Cl)c(Cl)cc1	PC-id_63530771	376.139	XZQGFYMJVOOSSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112888
FC(F)(F)c1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324910086	376.152	LMXOQZCMTCMDDD-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-112889
FC(F)(F)c1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324909065	376.152	BBLXBGGOSJOOKF-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-112890
n12c(=O)c(=Cc3ccc(Br)cc3)sc1nc(C(F)(F)F)n2	MCULE-9956931340	376.152	LMXOQZCMTCMDDD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112891
n12c(=O)c(=Cc3ccccc3Br)sc1nc(C(F)(F)F)n2	MCULE-5010890437	376.152	BBLXBGGOSJOOKF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112892
CN(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3)C(=O)C4=CC=NC=C4	PC-id_165180391	376.165	DFPXYSLMVZJQIY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112893
CN(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3)C(=O)C4=CN=CC=C4	PC-id_165180368	376.165	ADMVFGHDSWBHTK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112894
CC1(C2=C(CN1CC3=CC(=CC=C3)OC)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164617379	376.19	MOCYDHRJSOQECM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112895
CC(=O)C1=NN(C2=C1CCC2)CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C	PC-id_153600465	376.211	VQRRDNKROXVSNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112896
c12CN(Cc1sc(I)c2C#N)C(=O)OC(C)(C)C	EMOLS-id_331066917,MCULE-5175610983	376.213	RDHKTBXMYYRLRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112897
Brc1sc2c(CN(C(CCC(=O)OC)C(=O)OC)C2=O)c1	PC-id_85180438	376.223	MOAFSZMDIZZFAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112898
Brc1sc2c(CN([C@@H](CCC(=O)OC)C(=O)OC)C2=O)c1	PC-id_10547512	376.223	MOAFSZMDIZZFAW-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112899
CC(c1nnc2n1CCC2)NS(=O)(=O)c1c(Br)nnn1C	PC-id_106467657	376.233	LDMIUNKRYYSWJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112900
Cn1nnc(c1S(=O)(=O)N(Cc1nnc2n1CCC2)C)Br	PC-id_106467479	376.233	CRXGTEVTWUPBHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112901
Brc1ccc(c(c1)NCc1sc2c(c1)CCC2)C(F)(F)F	PC-id_107286044	376.235	GFYQXMYSSAQWCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112902
Brc1cc(ccc1NCc1sc2c(c1)CCC2)C(F)(F)F	PC-id_115511550	376.235	LJPBWZDZEQTQPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112903
Brc1cc(c(NCc2sc3c(CCC3)c2)cc1)C(F)(F)F	PC-id_65485173	376.235	CGQBPWIHMMAXDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112904
Ic1scc(c1)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_315373967,PC-id_78949017	376.236	OTTCIFHKDVLSJO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-112905
Brc1c2n(CCC2C(=O)OC)c(c1C)C(=O)c1ccc(cc1)C	PC-id_20404970,SCHEMBL11005371	376.244	JBOXCIWKXQHDRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112906
Brc1c2n(CCC2C(=O)OC(C)C)c(c1)C(=O)c1ccccc1	PC-id_20404966,SCHEMBL11001805	376.244	PXGBAFLZCYITOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112907
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2)cc1	PC-id_20351666,SCHEMBL11602344	376.244	LARIITKRAIYHHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112908
Brc1cc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2)ccc1	SCHEMBL11603583,PC-id_20351643	376.244	AKKNDSGYAQRZSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112909
Brc1ccc(cc1)C1(CCCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99770909	376.248	ULJQZVCLJKVOLL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112910
Brc1ccc(cc1)C(C1CCC1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_99567007	376.248	FZLBONVAQLBCEX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-112911
O=C(N1CCc2c(C31CCC3)[nH]cn2)c1c(Br)nc2n1CCC2	EMOLS-id_316643328	376.251	WVGVZYYRKRORJE-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-112912
P(=O)(O)(O)c1ncn2C(C(OC(=O)C)C(OC(=O)C)c12)COC(=O)C	PC-id_85309817	376.256	XFHSSSGRZCZKIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112913
P(=O)(O)(O)c1ncn2[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)c12)COC(=O)C	PC-id_10904886	376.256	XFHSSSGRZCZKIN-YUSALJHKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112914
c12CN(Cc1sc(Br)c2C(=O)OCC)C(=O)OC(C)(C)C	EMOLS-id_331063844,MCULE-5210004644	376.266	GSWQRHPGZJTKPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112915
CCCCOC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	EMOLS-id_278913488	376.266	GWHQVMIBMIJSSZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112916
CC(COC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C)C	EMOLS-id_278913379	376.266	ZBKVATIXBRNIGG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112917
CC(OCCCC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	EMOLS-id_258101553,MCULE-4879023021	376.266	CGEJVTFTWLRQGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112918
Brc1ccc(NCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_4806493	376.271	OUNFASCEKKPRQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112919
c1(cc(C)cc(Br)c1N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2797495340,EMOLS-id_328194782	376.271	QPYDQQGNWILVSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112920
Clc1sc(Cl)cc1C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_5106626	376.278	ZFCRRRRDLJTBIN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-112921
Ic1cnc(s1)CNCc1sc2c(c1)CCC2	PC-id_112755344	376.279	BIFOUBMVXBKBSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112922
c12CN(Cc1cnn2CCO)C(=O)Nc1cc(F)c(c(F)c1)C(F)(F)F	ZINC22_97743113,PC-id_74247017,EMOLS-id_49673392,MCULE-2069719131	376.281	IFWBXPXJMVAGEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112923
Brc1cccc(c1)C1(CCOCC1)NCc1cnc2n1CCC2	EMOLS-id_318252653	376.291	CQQDRDLATKWDSU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-112924
c1(C(=O)NC(C)CCc2ccc(cc2)Br)c2CCCc2n(C)n1	PC-id_84467383,MCULE-4698767652,EMOLS-id_320483082	376.291	LOFODYQBUKREAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112925
Cc1cc(c(s1)S(=O)(=O)NC1CC(n2c1ncc2)C)Br	EMOLS-id_101318530	376.292	WLLIJZZKFQZYSS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-112926
Cc1cc(sc1Br)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318506	376.292	HOWSVXMDTFUTJO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-112927
Cn1nc2c(c1NS(=O)(=O)c1cc(c(s1)Br)C)CCC2	EMOLS-id_98227949	376.292	LDYHJAXFJIZVKS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-112928
CC(C1CCSCC1)n1nc2CCC(C)c2c1I	MCULE-6517910562,EMOLS-id_330962365	376.299	MCUITLWBZLGSHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112929
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCC2)c1C(=O)N	ZINC22_2846236,PC-id_2200760,CoCoCo_977880,Chemmine_15990,EMOLS-id_1766628,MCULE-1726171161	376.301	GXYWZUSOHMGAEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112930
[O-][N+](=O)c1nn2c(n1)SC(C2)(C)COc1ccc(cc1)OC(F)(F)F	PC-id_145998595	376.311	CRRBKAXMHGZHBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112931
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)N	MCULE-3003324810,ZINC22_16383429,EMOLS-id_181348401,PC-id_4503989	376.344	ZMNDTQTZGKZFEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112932
s1c2c(CCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)N	PC-id_3961175	376.344	JKNBVRTWKBIBBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112933
CC1Cc2n([C@@H]1C)c(c(c2C(=O)C(=O)O)C)C(=O)Nc1ccc(c(c1)F)F	PC-id_142295211	376.354	VRRGATUGVBUJSA-LHIURRSHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112934
Cc1nnc2CC(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)Cn12	MCULE-1925805212,PC-id_137340880,EMOLS-id_317488794	376.354	MRCUXFQGVFACNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112935
Cc1nnc2n1C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2	ZINC22_1772709051	376.354	MRCUXFQGVFACNP-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-112936
Cc1nnc2n1C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2	ZINC22_1772709059	376.354	MRCUXFQGVFACNP-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112937
CCOC(=O)C(=O)c1c2C[C@H](Cn2c(c1C)C(=O)Nc1ccc(cc1)F)F	SCHEMBL19920711,PC-id_134302992	376.354	HILKJWWQSPJQAB-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112938
COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2C[C@@H](C)n3ncnc23)c1	ZINC22_657066473	376.354	MZQOQUSHDJTMDW-PELKAZGASA-N	00000010100000110001000010000000000000000000000000000000	25-01-112939
COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3ncnc23)c1	ZINC22_657066475	376.354	MZQOQUSHDJTMDW-PRHODGIISA-N	00000010100000110001000010000000000000000000000000000000	25-01-112940
COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2C[C@H](C)n3ncnc23)c1	ZINC22_657066477	376.354	MZQOQUSHDJTMDW-QPUJVOFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112941
COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2C[C@H](C)n3ncnc23)c1	ZINC22_657066479	376.354	MZQOQUSHDJTMDW-UFBFGSQYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112942
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]	PC-id_139746932	376.362	UNOUTWHVMUMPDA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-112943
N#Cc1ccc(cc1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL1228810,PC-id_50913044	376.365	JOWOAMMSABIQDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-112944
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccncc1)NC(=O)c1ccccc1	PC-id_68442682,SCHEMBL2924099	376.369	JJYCVAGWXZXRFA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112945
O=C(N1Cc2c(C1)n[nH]c2NC(=O)c1ccccn1)NC(=O)c1ccccc1	PC-id_68440985,SCHEMBL2919553	376.369	REHNKGPYHSZIKH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112946
O=C(N1Cc2c(C1)n[nH]c2NC(=O)c1cccnc1)NC(=O)c1ccccc1	PC-id_68441726,SCHEMBL2921820	376.369	OTVYZLFRERRSJI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-112947
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(F)c(F)c(F)cc1	PC-id_8474125	376.374	NJZGQIDYQIURFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112948
n12N=C(C(C)(C)C)/C(=N/Nc3n(ncc3[N+]#[C-])c3ncncn3)/c1nc(n2)C	PC-id_58113704	376.379	RRAMOCZROGMWPQ-KSEXSDGBSA-N	00000011100000100001100010000000000000000000000000000000	25-01-112949
n12N=C(C(C)(C)C)/C(=N/Nc3n(ncc3[N+]#[C-])c3ncncn3)/c1nnc2C	PC-id_58090627	376.379	FUHIASYQEIEFPT-KSEXSDGBSA-N	00000011100000100001100010000000000000000000000000000000	25-01-112950
n12N=C(C(C)(C)C)C(=NNc3n(ncc3[N+]#[C-])c3ncncn3)c1nnc2C	PC-id_76663850	376.379	FUHIASYQEIEFPT-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-112951
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)COc3ccc(cc3)F)C2)n1	MCULE-3538292022,EMOLS-id_316332348	376.382	UDQJALMZYJYQDR-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112952
c1(C(=O)NCCOC)cc2n(CC(NC(=O)COc3ccc(cc3)F)C2)n1	MCULE-5367456418	376.382	UDQJALMZYJYQDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112953
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)COc3ccc(cc3)F)Cc12	EMOLS-id_316322614,MCULE-7326925848	376.382	DVJYOLQBNDKLLS-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112954
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)COc1ccc(cc1)F	MCULE-5120460411	376.382	DVJYOLQBNDKLLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112955
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C(=O)OC	SPECS-id_AK-968/15605267,CoCoCo_542332,ZINC22_672953,MCULE-7445676410,TIMTEC331437,PC-id_1012119,EMOLS-id_2497249	376.384	NHIAQRNQVINIGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112956
c1(NC(=O)C=Cc2ccc(N(=O)=O)o2)sc2c(CCC2)c1C(=O)OCC	MCULE-9021058874,PC-id_71833295	376.384	MXIOANQSIPZBJN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112957
c1(NC(=O)COc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OC	PD114499,CoCoCo_187561,ZINC22_856516,PC-id_1119546,SPECS-id_AT-225/NB59639,BAS-01292345,MCULE-5059292785,EMOLS-id_603005,ChEMBL-DNDi_CHEMBL2798-1111	376.384	ZJSWKKNLPJLVFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112958
CCOC(=O)c1c2CCCc2sc1NC(=O)c1cccc(c1O)[N+](=O)[O-]	EMOLS-id_328199234,MCULE-1012519232	376.384	OPFROLNEKCDTPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112959
CCOC(=O)c1c2CCCc2sc1NC(=O)c1ccc(c(O)c1)[N+](=O)[O-]	MCULE-7853045035,EMOLS-id_328012726	376.384	YOXXJWPQQMUFIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112960
CCOC(=O)c1c2CCCc2sc1NC(=O)c1ccc(O)c(c1)[N+](=O)[O-]	EMOLS-id_328068263,MCULE-8715641196	376.384	VDPFHZYYSQRKRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112961
CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCC2	PC-id_19579651,ZINC22_2754148,TIMTEC322468,EMOLS-id_27343727	376.384	MXIOANQSIPZBJN-SOFGYWHQSA-N	00000010101000000000000010000000000000000000000000000000	25-01-112962
CC[Si](OCCN1Cc2c(C1=O)sc(c2)Br)(CC)CC	PC-id_140122498	376.384	VMXARMTUWTYDDI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-112963
O=C(c1nnn(c1)Cc1c(F)cccc1F)NCc1cn2c(n1)SCC2	CoCoCo_1635076,PC-id_26407663	376.384	MOMCADHHCKWYAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112964
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(OC)cc1	PC-id_4590164	376.384	BHXACLUBIBXQHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112965
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(OC)ccc([N+](=O)[O-])c1	PC-id_3380992	376.384	ZSGMPUSQOGRMHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112966
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(OC)cc([N+](=O)[O-])cc1	PC-id_3938345	376.384	BDDGBJANZOIEAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112967
s1c2c(CCC2)c(c1NC(=O)c1c(O)ccc([N+](=O)[O-])c1)C(=O)OCC	PC-id_23987981	376.384	LJUWIWLVVCPPPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112968
s1c2c(CCC2)c(c1NC(=O)COc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_41668385	376.384	FVPRTSUOBYUWHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112969
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_4931052	376.384	QHXAWAUAMKZSEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112970
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)cc(O)cc1)C(=O)N	PC-id_5206058	376.384	BORPVYGNZMYMNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112971
COc1cc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324860644	376.387	YMQDCCVOEUFSIG-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112972
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc(c1O)[N+](=O)[O-]	EMOLS-id_324850408	376.387	YQRYEMMNJZKYOK-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112973
n12c(=O)c(=Cc3cc(c(O)c(N(=O)=O)c3)OC)sc1nc(C(C)(C)C)n2	MCULE-1734708100	376.387	YQRYEMMNJZKYOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112974
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CC(C)C	MCULE-9145916190	376.387	YMQDCCVOEUFSIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112975
s1c2c(CCC2)c(c1NC(=O)COc1c(nc(cc1)C)[N+](=O)[O-])C(=O)N	PC-id_7567747	376.387	PGMPLFYUHYWEMF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-112976
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nccnc1N)C(=O)OC	PC-id_45672869	376.387	VZZQFKXWXNGKET-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112977
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(c(=O)cc1)C)C(=O)N	PC-id_55734983	376.387	DKATWAXELOPLQG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-112978
s1c2CCCc2c(c1NC(=O)COC(=O)CN1C(=O)CN(C1=O)C)C#N	PC-id_8428801	376.387	DRWNWNNBXFLXOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-112979
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)C=Cc1ccccc1	MCULE-3883359712	376.389	AQKYRYMLQNTKSI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112980
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)C=Cc1ccccc1	MCULE-6398344088	376.389	LJZDGRFAHXGYEG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112981
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)C=Cc1ccccc1	MCULE-6960754572	376.389	HEVACRSCSMPJNB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112982
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)/sc2nc(/C=C/c3ccccc3)nn12	ZINC22_27021831,EMOLS-id_31274622	376.389	HEVACRSCSMPJNB-NJAVVXAXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112983
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_324916748	376.389	AQKYRYMLQNTKSI-ZBUTWXCBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112984
[O-][N+](=O)c1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_324919049	376.389	LJZDGRFAHXGYEG-KDNHCMJDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-112985
N#Cc1c(NC(=O)C2CC2c2ccccc2C(F)(F)F)sc2c1CCC2	PC-id_145875807,EMOLS-id_44520429,MCULE-4977978795	376.395	WWNMHRYOEWSLCY-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-112986
N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)sc2c1CCC2	ZINC22_84502118	376.395	WWNMHRYOEWSLCY-STQMWFEESA-N	00100010100000110000100010000000000000000000000000000000	25-01-112987
N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)sc2c1CCC2	ZINC22_84502120	376.395	WWNMHRYOEWSLCY-OLZOCXBDSA-N	00100010100000110000100010000000000000000000000000000000	25-01-112988
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)sc2c1CCC2	ZINC22_84502123	376.395	WWNMHRYOEWSLCY-QWHCGFSZSA-N	00100010100000110000100010000000000000000000000000000000	25-01-112989
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)sc2c1CCC2	ZINC22_84502125	376.395	WWNMHRYOEWSLCY-CHWSQXEVSA-N	00100010100000110000100010000000000000000000000000000000	25-01-112990
O=C(N1CCN(C(=O)C1)CC(F)(F)F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009042	376.397	CUUGLWBQSKVNJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-112991
C(=O)(c1cc(cc(c1)F)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C	CHEMBL604712,PC-id_10429593,BindingDB_PC-id_10429593	376.4	QXBKFUBBGBWPCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112992
Fc1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)C(C)(C)C)(C)C)ccc(F)c1	PC-id_9976814	376.4	HMOPSNMGPWBCDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-112993
NC(=O)c1c(NC(=O)COC(=O)Cc2ccccc2F)sc2c1CCC2	NSC746340,MCULE-4465694627,EMOLS-id_45703476,ZINC22_6835607,PC-id_3920082	376.402	JHGCMGBLOQPEAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112994
NC(=O)c1c(NC(=O)COC(=O)Cc2ccc(F)cc2)sc2c1CCC2	MCULE-7423821978,CoCoCo_2927167,PC-id_4544637,EMOLS-id_3506521,ZINC22_6587916	376.402	NQVUPTSGCRARSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112995
s1c2CCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1	PC-id_7291978	376.402	YDJUQWZZFGUTAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112996
s1c2c(CCC2)c(c1NC(=O)c1ccc(F)cc1)C(=O)NC(=O)OCC	PC-id_7521517	376.402	TWKZOVAAVMFHKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112997
s1c2c(CCC2)c(c1NC(=O)c1cc(F)ccc1)C(=O)NC(=O)OCC	PC-id_7521518	376.402	GWJQFQXIAFYQDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112998
s1c2c(CCC2)c(c1NC(=O)c1c(F)cccc1)C(=O)NC(=O)OCC	PC-id_7521548	376.402	LLUQTGYAODCOGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-112999
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(F)cc1)C(=O)NC(=O)OC	PC-id_7597356	376.402	WEBCEGROTOEOLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113000
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(F)cccc1)C)C(=O)N	PC-id_8401065	376.402	XWSFFZVSLRLTPL-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-113001
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(F)cccc1)C)C(=O)N	PC-id_8401066	376.402	XWSFFZVSLRLTPL-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113002
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)c(cc1)C)C(=O)N	PC-id_9386657	376.402	APDCHRRFDLDSMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113003
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(F)cccc1)C)C(=O)N	PC-id_78686564	376.402	XWSFFZVSLRLTPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113004
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(F)ccc1)C(=O)N	PC-id_8590069	376.402	AQHPTJDJGVATHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113005
C(N)(CO)(CO)CO.n12c(C(C(=O)O)CC1)ccc2C(=O)c1ccccc1	CHEMBL1201124	376.404	BWHLPLXXIDYSNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113006
COCCS(=O)(=O)N1CCC(CC1)NC(=O)c1nn2CCOc2c1F	PC-id_91960084	376.404	OJKFDVNBMDTCLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113007
OCC(N)(CO)CO.O=C(c1n2c([C@@H](CC2)C(=O)O)cc1)c1ccccc1	CHEMBL1400884	376.404	BWHLPLXXIDYSNW-RFVHGSKJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113008
s1c2c(CCC2)c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)[O-]	PC-id_4565185	376.404	VIRVPNMYNMQKLI-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-113009
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1O)C(=O)O	MCULE-2586869098,EMOLS-id_328219005	376.405	WCPDKANEMXDOMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113010
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(C(=O)O)c(O)c1	EMOLS-id_328220275,MCULE-2517619469	376.405	MJKDKLRMMLODQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113011
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(O)c(c1)C(=O)O	MCULE-9658435174,EMOLS-id_328217979	376.405	CGSWVYPYPPBJJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113012
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(O)ccc(c1)C(=O)O	MCULE-1017860334,EMOLS-id_328218749	376.405	MJCMVPRCENFNSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113013
[nH]1nc(c2c1CN(C2)C(=O)[C@H](c1ccccc1)O)NC(=O)c1ccc(cc1)C	PC-id_46911328,CHEMBL1171393	376.408	ATBRVKDCKYBWNX-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113014
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1N)N(=O)=O	MCULE-2001207061,EMOLS-id_328220278	376.409	AGWRIGIYWLSAEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113015
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(N)ccc(c1)N(=O)=O	MCULE-9611291866,EMOLS-id_328220022	376.409	KMWYGBOSAPXFEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113016
[nH]1nc(c2c1CN(C2)C(=O)[C@H](c1ccccc1)OC)NC(=O)c1ccccc1	PC-id_49798188,CHEMBL1172541	376.409	JVCBQSOUOIKMMH-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113017
C/C=CC=C(OC/C(=C/N(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])N)/N)/C=C	PC-id_145067026	376.41	BXZCOFZZNFHUNL-QISMYQPJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113018
O=C(c1c[nH]c(=O)n(c1=O)Cc1cccs1)Nc1onc2c1CSC2	PC-id_121026176	376.41	DYXLUGBNNJIFSP-UHFFFAOYSA-N	00000010100100100001000010000000000000000000000000000000	25-01-113019
C1Cc2nnc(n2C1C(=O)NCc1ccncc1)CNC(=O)c1ccccc1	PC-id_134788601	376.412	ICCCKGOTLLKVHU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113020
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cnc(cn2)C)n1	EMOLS-id_316332344,MCULE-7106121343	376.412	YEHLFLFVMUGGJF-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113021
c1(C(=O)NCc2cccnc2)cnn2CC(Cc12)NC(=O)c1cccc(C)n1	MCULE-3382226581	376.412	YUBAEFWIEDNEDX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113022
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cccc(C)n1	EMOLS-id_316318525,MCULE-3984764606	376.412	YUBAEFWIEDNEDX-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113023
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cncc(C)c1	EMOLS-id_316318013,MCULE-2123974283	376.412	LHRYSDXOEDAIQO-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113024
Cc1cncc(c1)C(=O)NC1Cc2n(C1)ncc2C(=O)NCc1cccnc1	MCULE-3098298441	376.412	LHRYSDXOEDAIQO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113025
O=C(NCc1nnc2n1CCC2)Nc1cccc(NC(=O)c2ccccc2)c1	PC-id_51116724,ZINC22_48483298,MCULE-1924729341,EMOLS-id_31984198	376.412	UWPFKUZDZRQVJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113026
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL5553962,CoCoCo_112006,SCHEMBL8289827,PC-id_1159707,BAS-00662183,PD112635,ZINC22_910897,MCULE-8722238515,EMOLS-id_1132740	376.427	JGULMNWEIQNBRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113027
c1(NC(=O)CCCC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_17377540,MCULE-8921974024,TIMTEC419778,CoCoCo_6827482,EMOLS-id_4053878,ZINC22_17076956	376.427	RBWVFKFFBLJVTO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113028
c1(NC(=O)COc2c(O)ccnc2C)sc2c(CCC2)c1C(=O)OCC	MCULE-5692178819,EMOLS-id_31284557,PC-id_49652916,STOCK6S-95026,ZINC22_40266351,EMOLS-id_30500489	376.427	HSFKZTZDLQOTST-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113029
Cc1cc(c(o1)C)C(=O)OC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_19695726,MCULE-6256097574,PC-id_24495368	376.427	NLHPXICPFBUANL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113030
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(C)o1	CoCoCo_4172436,ZINC22_21601765,PC-id_29627279	376.427	NLHPXICPFBUANL-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113031
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(C)o1	PC-id_29627280,CoCoCo_4172435,ZINC22_21601766	376.427	NLHPXICPFBUANL-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-113032
CCOC(=O)c1c(NC(=O)COC(=O)c2cccn2C)sc2c1CCC2	ZINC22_3512196,MCULE-5969220785,CoCoCo_2832300,EMOLS-id_3699497,PC-id_2629274	376.427	MLPXJLDMXAIHAS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-113033
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_27684441	376.427	TYDXPGWTLBWLEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113034
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OC)c(OC)c(OC)cc1	PC-id_26872774	376.427	QPZBVYOAXVFUHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113035
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(=O)NCc1occc1)C	PC-id_8187340	376.427	FXSPYTWYXBNSDM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113036
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1occc1)C)C(=O)N	PC-id_8399232	376.427	GMJARZVWDZXVEG-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-113037
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1occc1)C)C(=O)N	PC-id_8399233	376.427	GMJARZVWDZXVEG-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113038
s1c2c(CCC2)c(c1NC(=O)COC1C(=NC=CC1=O)C)C(=O)OCC	PC-id_75269619	376.427	VKQWIDMOUIPXGU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113039
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c(oc1C)C)C)C(=O)N	PC-id_9527547	376.427	LAPRUBNMZRGDQQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113040
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1occc1)C)C(=O)N	PC-id_78685894	376.427	GMJARZVWDZXVEG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113041
s1c2CCCc2c(c1N=Cc1oc(c2cc(ccc2)C(=O)OC)cc1)C#N	PC-id_50886906	376.428	OWVOEKBPQJYZSA-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-113042
CCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C)F	SCHEMBL3327789,PC-id_59333918	376.429	WOAMKAINLABGDR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113043
c12c(CCC1C(=O)OCC)sc(NC(=O)CCc1ccc(=O)n(C)n1)n2	MCULE-7871075724,EMOLS-id_48618424,PC-id_71810817	376.43	VCNRSHYQICDRRF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113044
c12CN(Cc1n(nc2C(=O)NC1CC1)C)S(=O)(=O)c1ccc(cc1)OC	EMOLS-id_207862917,MCULE-2102024024	376.43	KPXYRQUXTMTGRZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-113045
c1(NC(=O)c2cccc(c2C)N(=O)=O)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160428,EMOLS-id_5442927,MCULE-5978869950	376.43	SAQVVBSHWVZSSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113046
c1(NC(=O)c2ccco2)c2CSCc2nn1CC(=O)NCC1CCCO1	MCULE-5694702329,PC-id_44053089,EMOLS-id_24913361	376.43	BLAVTNNXMURHTF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113047
c1(NC(=O)C(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCC2)c1C#N	MCULE-6070880982,STOCK6S-12373,CoCoCo_6534195,PC-id_8069884,ZINC22_6755873,EMOLS-id_4743155	376.43	UWMJUVJOUVNIEH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113048
Cc1c(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cccc1[N+](=O)[O-]	PC-id_11877764,ZINC22_2725061,CoCoCo_4985490	376.43	SAQVVBSHWVZSSQ-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113049
Cc1c(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cccc1[N+](=O)[O-]	ZINC22_4106210,CoCoCo_4985489,PC-id_11863915	376.43	SAQVVBSHWVZSSQ-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-113050
C[C@]1(COc2ccc(N3CCSCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	SCHEMBL5542436,CHEMBL386262,PC-id_6483575	376.43	NFMAMMXIBCMZBJ-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113051
CCOC(=O)[C@@H]1CCc2sc(NC(=O)CCc3ccc(=O)n(C)n3)nc12	ZINC22_96123971,PC-id_97428711	376.43	VCNRSHYQICDRRF-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113052
CCOC(=O)[C@H]1CCc2sc(NC(=O)CCc3ccc(=O)n(C)n3)nc12	ZINC22_96123972,PC-id_97428712	376.43	VCNRSHYQICDRRF-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-113053
CCS(=O)(=O)Cc1ccc(NC(=O)C(=O)N=c2cc3n([nH]2)CCC3)cc1	ZINC22_1875305328	376.43	QSMDAKSLMSQLPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113054
COc1cc(ccc1N1CCCC1=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100459463	376.43	JLETZCAVOQZQQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113055
Oc1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100227238	376.43	UIHIYFIGURWJTF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113056
Oc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100956048	376.43	VDXGOGJKBWDXTL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113057
Oc1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100980847	376.43	KQJKFTMXXDHVQM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113058
O=C(c1ccccc1NS(=O)(=O)c1cnc2n1CCC2)N1CCOCC1	EMOLS-id_100459556	376.43	XHLMHQDWMVCLPF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113059
O=C(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C)N1CCOCC1	EMOLS-id_316655662	376.43	GQEXZAVYJZQJNI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113060
O=C(C1CCCO1)Nc1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100457140	376.43	NJMQVUMRZKQGCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113061
O=C(Cn1nc2c(c1NC(=O)c1ccco1)CSC2)NC[C@@H]1CCCO1	ZINC22_23139142,PC-id_30862443,CoCoCo_5277636	376.43	BLAVTNNXMURHTF-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-113062
O=C(Cn1nc2c(c1NC(=O)c1ccco1)CSC2)NC[C@H]1CCCO1	ZINC22_23139146,PC-id_30862447,CoCoCo_5277637	376.43	BLAVTNNXMURHTF-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113063
O=C(N1CCn2c1ncc2)c1cccc(c1)S(=O)(=O)NCC1CCCO1	MCULE-1280850165,EMOLS-id_320207933	376.43	RICQTIAQRQQUAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113064
O=C(N1CCn2c1ncc2)Nc1cccc(c1)S(=O)(=O)C1CCOCC1	MCULE-7293996045,EMOLS-id_316351215	376.43	DIHDKJVUENBYEK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113065
O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1n[nH]c2CCCc12	MCULE-5019342785,EMOLS-id_323257275	376.43	NGOCTQUDHRREKC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113066
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)COc1ccc(cc1)N1CCSCC1	PC-id_23081149,SCHEMBL5542442	376.43	NFMAMMXIBCMZBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113067
s1c2c(CCC2)c(c1NC(=O)c1nn(c(c1)C)C)C(=O)NC(=O)OCC	PC-id_16952245	376.43	JJODAYNKRJIWKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113068
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([nH]nc1)C(C)C)C(=O)N	PC-id_55665575	376.43	OXEVGIWHCNHPLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113069
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(n(nc1)C)C)C)C(=O)N	PC-id_43040725	376.43	HVPLLJJYMPHINJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113070
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_3616906	376.43	AQZBGMUDYSWSLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113071
c1(NC(=O)c2cc(=O)[nH]c(c3ccc(cc3)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_322842544,MCULE-7705040919	376.432	JGIKDHRDCXOCBU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113072
c1(NC(=O)c2cc(=O)[nH]c(c3cccc(C)c3)n2)sc2c(CCC2)c1C#N	MCULE-1220240422,EMOLS-id_322842288	376.432	AWTUXGROYNWKJF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113073
COc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc(OC)c1	MCULE-7307936502,EMOLS-id_328217725	376.448	VRFHOSXUOHLMNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113114
c1(NC(=O)c2cnc([nH]c2=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_322835387,MCULE-3858102532	376.432	NDZWZORFHSVGIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113074
c1(NC(=O)c2cnc([nH]c2=O)c2cccc(C)c2)sc2c(CCC2)c1C#N	MCULE-9565065690,EMOLS-id_322835131	376.432	ARNPHONMUGWDAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113075
c1(NC(=O)c2c(=O)cc(n(c3ccccc3)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322819625,MCULE-4805230386	376.432	ANVGHHBBDBWJPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113076
Cc1nnc2n1N=C(C2=Nc1cc(c(cc1)O)NS(=O)(=O)C)C(C)(C)C	PC-id_136089210	376.433	HSPMMKSQXLECOO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-113077
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)Cc1cccs1	MCULE-9186465048	376.433	VKEMONZTNMFKDN-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-113078
[O-][N+](=O)c1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)s1	EMOLS-id_324835569	376.433	VKEMONZTNMFKDN-POHAHGRESA-N	00000000100100000001000010000000000000000000000000000000	25-01-113079
CC(C)n1nc(CN2CCOCC2)c2c1CN(Cc1ccc(F)c(F)c1)C2	ZINC22_2055717950,EMOLS-id_313733332	376.443	LZNBEUFJMQSTAQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113080
s1c2c(CCC2)c(c1NC(=O)CC[NH+](Cc1cc(F)c(F)cc1)C)C#N	PC-id_25597205	376.443	WTVWUQVQGVROKN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-113081
s1c2c(CCC2)c(c1NC(=O)CC[NH+](Cc1c(F)cc(F)cc1)C)C#N	PC-id_30804978	376.443	NDGUPADSKCGWDI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-113082
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389009,MCULE-8679365511	376.445	BLFKIDNFESCEBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113083
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1779444249,EMOLS-id_334387226	376.445	KIGLEPYUVZSOBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113084
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390036,MCULE-9064411086	376.445	ZQUXCELUFUKFFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113085
CCOC(=O)c1c(NC(=O)CNCc2ccc(F)cc2)sc2c1CCC2	ZINC22_57375775,MCULE-6540213905,CoCoCo_3683807,PC-id_2357659,EMOLS-id_48956308	376.445	UKTAPJBDRSELTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113086
CCOC(=O)c1c(NC(=O)C(N)Cc2ccc(F)cc2)sc2CCCc12	EMOLS-id_328006956,MCULE-2531846201	376.445	XZHUKCLGCZRJTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113087
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(F)cccc1)C)C(=O)OC	PC-id_18078756	376.445	OBHHCJXJQVHLCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113088
s1c2c(CCC2)c(c1NC(=O)CNC(c1c(F)cccc1)C)C(=O)OC	PC-id_18086096	376.445	TXRZBXPJTVIIQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113089
s1c2c(CCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_74683252	376.447	KAUAXXYGEUBGJP-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113090
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_74696819	376.447	RJXKFNJSNGFMEK-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113091
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_74698340	376.447	FMJRZWGAYXQTCU-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113092
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_40444772	376.447	KAUAXXYGEUBGJP-QWHCGFSZSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113093
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_40444774	376.447	KAUAXXYGEUBGJP-CHWSQXEVSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113094
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_40444776	376.447	KAUAXXYGEUBGJP-STQMWFEESA-M	00000010100011000000000010000000000000000000000000000000	25-01-113095
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_40444778	376.447	KAUAXXYGEUBGJP-OLZOCXBDSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113096
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_40559132	376.447	RJXKFNJSNGFMEK-NEPJUHHUSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113097
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_40559134	376.447	RJXKFNJSNGFMEK-VXGBXAGGSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113098
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_40559140	376.447	RJXKFNJSNGFMEK-RYUDHWBXSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113099
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_40559142	376.447	RJXKFNJSNGFMEK-NWDGAFQWSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113100
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_40573721	376.447	FMJRZWGAYXQTCU-NEPJUHHUSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113101
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_40573723	376.447	FMJRZWGAYXQTCU-VXGBXAGGSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113102
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_40573725	376.447	FMJRZWGAYXQTCU-RYUDHWBXSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113103
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_40573727	376.447	FMJRZWGAYXQTCU-NWDGAFQWSA-M	00000010100011000000000010000000000000000000000000000000	25-01-113104
C1COCCN1CCN1C(c2c(N1)scc2)NC(=O)c1ccccc1F	PC-id_90965270	376.448	KRJNRWFYKKQNSI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113105
C1COCCN1CCN1C(c2c(N1)scc2)NC(=O)c1ccc(cc1)F	PC-id_91299539	376.448	CWNUEJAKBXCKOX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113106
c1(NC(=O)Cc2ccc(cc2)F)c2CSCc2nn1CC(=O)NCCC	MCULE-8611783224,EMOLS-id_24913151,PC-id_30862113,CoCoCo_5277505,ZINC22_23138772	376.448	AXNLOKZXGSTWDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113107
c1(NC(=O)C(C)C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	EMOLS-id_24913615,ZINC22_23139629,PC-id_30862848,CoCoCo_5277810,MCULE-7688927264	376.448	PNKRWXUJVSRLFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113108
c1(NC(=O)C(=O)NCc2ccc(cc2)F)c2CSCc2nn1C(C)(C)C	PC-id_7685526,CoCoCo_5184704,ZINC22_5438217,MCULE-5634478369,EMOLS-id_5617894	376.448	RSBIYSCVSZDGOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113109
COc1cccc(OC)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3676779202,EMOLS-id_328217723	376.448	FLWGIVOEYMBPMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113110
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1OC	EMOLS-id_328217972,MCULE-6543937818	376.448	UXLBPZOIBMBXPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113111
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(OC)c1	EMOLS-id_328219770,MCULE-9880664213	376.448	XQSOLKNTWMURRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113112
COc1ccc(OC)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328220274,MCULE-1065186559	376.448	GCRFAGRNQYTQRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113113
S1Cc2c(nn(c2NC(=O)CCC)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053655	376.448	NCMNAMUTGGFHRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113116
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@@H]([C@H](CCC(=O)O)C1)N1CCOCC1	EMOLS-id_46066459,MCULE-8589623388,PC-id_72894857,ZINC22_91679756	376.45	UDNYNNIONYHONM-CJNGLKHVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113117
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_5624972,CoCoCo_5190085,ZINC22_10219316,PC-id_18586161,MCULE-5834790197	376.45	LJGAGTWJEAVNKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113118
c1(NC(=S)Nc2cccc(c2)C(=O)O)sc2c(CCC2)c1C(=O)OC	ZINC22_17076972,CoCoCo_6826585,MCULE-3543884863,TIMTEC358673,EMOLS-id_4053993,PC-id_17383024	376.45	OLTKSAQAZUYILK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113119
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccccc1)C(=O)NO	SCHEMBL13786694,PC-id_57791524	376.45	MHOMEELIZMJLME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113120
s1c2CCCc2cc1C(=O)OCc1c(sc(N)c1C#N)C(=O)OCC	PC-id_7623739	376.45	BJANETHEAJQMKM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113121
s1c2c(CCC2)c(c1NC(=O)/C=C/c1sccc1)C(=O)NC(=O)OC	PC-id_7521454	376.45	UJZTUPGGTLNPPZ-BQYQJAHWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113122
s1c2c(CCC2)c(c1NC(=O)C=Cc1sccc1)C(=O)NC(=O)OC	PC-id_78495703	376.45	UJZTUPGGTLNPPZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113123
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccsc1)C(=O)N	PC-id_7549938	376.45	GEFOMTZQWJXHEF-SNAWJCMRSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113124
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccsc1)C(=O)N	PC-id_78501222	376.45	GEFOMTZQWJXHEF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113125
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1sccc1)C(=O)N	PC-id_55314267	376.45	KHDGJFSSWADNKW-VOTSOKGWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113126
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1sccc1)C(=O)N	PC-id_76226719	376.45	KHDGJFSSWADNKW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113127
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)O)C(=O)OC	PC-id_20413744	376.45	OQWOYBLKESDETM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113128
c1(C(=O)NCCNc2ccc(cc2)Oc2ccccc2)c2CCCc2n(C)n1	PC-id_84467404,MCULE-4749221409,EMOLS-id_320482315	376.452	YDACDSGPCLGVLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113129
Cc1c(COc2ccccc2)cccc1NC(=O)c1[nH]nc2c1CNC2(C)C	ZINC22_2325857525	376.452	FBWHVJLRTPOKDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113130
COc1ccc(cc1)C(CC(=O)NCc1nnc2CCCn12)c1ccccc1	PC-id_45232060,MCULE-5194801140,EMOLS-id_32414752	376.452	IXOUMPALTGPZJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113131
COc1ccc(cc1)CCN(C(=O)c1n[nH]c2c1CCC2)Cc1ccccn1	ASN-20327965	376.452	JRQDGKNCLNFORX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113132
COc1ccc(cc1)C(N(C(=O)c1n[nH]c2c1CCC2)Cc1ccccn1)C	ASN-20329486	376.452	XSRYPXNADKOAGG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113133
COc1ccc([C@H](CC(=O)NCc2nnc3n2CCC3)c2ccccc2)cc1	CoCoCo_1516967,ZINC22_14973740	376.452	IXOUMPALTGPZJC-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113134
COc1ccc([C@@H](CC(=O)NCc2nnc3n2CCC3)c2ccccc2)cc1	ZINC22_14973736,CoCoCo_1516968	376.452	IXOUMPALTGPZJC-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-113135
Fc1cnc(nc1)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007164	376.452	VCHLSQSLUVXGDM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-113136
c1(NC(=O)CSc2[nH]cc(C(=O)OCC)n2)sc2c(CCC2)c1C#N	PC-id_84393919,MCULE-6311419670,EMOLS-id_181102934	376.453	ZCTJQCGOYZFHQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113137
c1(NC(=S)NNC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)OC	PC-id_2212157,EMOLS-id_2473379,CoCoCo_1003178,MCULE-5996085772,TIMTEC350793	376.453	OCYNOEWOMJJXDC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113138
CC(C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)Sc1cnc(cc1)N=O	PC-id_89031922,SCHEMBL13183043	376.453	HJUKMYOHNYIXAW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113139
COCc1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCC2)C#N	PC-id_136684465	376.453	VJMKWHHKUMDGAS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113140
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1nccn1Cc1ccccn1	PC-id_72873147,EMOLS-id_48444932,MCULE-6145631383	376.455	GHKSMHDQOGOOIM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113141
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1nccn1Cc1cccnc1	MCULE-1362645915,PC-id_72927248,EMOLS-id_48448308	376.455	UYEDCDVHARVDDC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113142
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1nccn1Cc1ccncc1	EMOLS-id_48443432,MCULE-8310461218,PC-id_72849254	376.455	ISWXYSCDYOSPSI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113143
c1(C(=O)N2CCC(CC2)c2nccn2Cc2ccccn2)c2CCCc2[nH]n1	MCULE-7535874451,ZINC22_95503520,PC-id_72858835,EMOLS-id_48443990	376.455	XRNFZEKVBJWEDI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113144
c1(C(=O)N2CCC(CC2)c2nccn2Cc2cccnc2)c2CCCc2[nH]n1	PC-id_72932019,MCULE-7492581792,EMOLS-id_48448604,ZINC22_95528953	376.455	GGOOUSZWDULNNS-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113145
c1(C(=O)NCc2cccnc2N(C)CCc2ccccn2)c2CCCc2[nH]n1	MCULE-9636311166,CoCoCo_1134130,CoCoCo_1134128,ZINC22_19113394,PC-id_28071709,EMOLS-id_20401728,CoCoCo_1134129,CoCoCo_1134127	376.455	SUOBLXXELQPFSG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113146
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1	PC-id_97274507,ZINC22_95507966	376.455	GHKSMHDQOGOOIM-OAHLLOKOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113147
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccn2Cc2ccccn2)C1	PC-id_97274508,ZINC22_95507967	376.455	GHKSMHDQOGOOIM-HNNXBMFYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113148
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1	PC-id_97284254,ZINC22_95527395	376.455	UYEDCDVHARVDDC-MRXNPFEDSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113149
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccn2Cc2cccnc2)C1	ZINC22_95527396,PC-id_97284255	376.455	UYEDCDVHARVDDC-INIZCTEOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113150
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccn2Cc2ccncc2)C1	PC-id_97270283,ZINC22_95500493	376.455	ISWXYSCDYOSPSI-INIZCTEOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113151
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1	ZINC22_95500492,PC-id_97270282	376.455	ISWXYSCDYOSPSI-MRXNPFEDSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113152
O=C(NCc1n2CCCc2nn1)Nc1c(N(Cc2ccccc2)C)cccc1	PC-id_60234687	376.455	NOXRNBKVKLTDBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113153
N#Cc1c(NC(=O)CSc2nnnn2C2CCCC2)nc2n1CCS2	EMOLS-id_99354526	376.46	TXYGLQPKYSYKKL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-113154
CC(C)(NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1F	EMOLS-id_328216443,MCULE-9834432163	376.467	VOOFNRZFOWUULX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113155
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccc(F)cc1)C)C)C(=O)N	PC-id_51435193	376.468	FDMLFMMKLQEBGQ-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-113156
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccc(F)cc1)C)C)C(=O)N	PC-id_51435195	376.468	FDMLFMMKLQEBGQ-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-113157
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(F)cccc1)C)C)C(=O)N	PC-id_29681817	376.468	YJAKQWNYOPGBDH-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-113158
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(F)cccc1)C)C)C(=O)N	PC-id_29681822	376.468	YJAKQWNYOPGBDH-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-113159
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1ccc(F)cc1)C)C)C(=O)N	PC-id_75650151	376.468	FDMLFMMKLQEBGQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-113160
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(F)cccc1)C)C)C(=O)N	PC-id_74597329	376.468	YJAKQWNYOPGBDH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-113161
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)NC1CC1	EMOLS-id_4054061,TIMTEC526236,MCULE-6985697271,PC-id_17377055	376.47	WKSIYLJMSIUWGQ-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-113162
c1(sc2c(CCC2)n1)NC(=O)c1cc(OCC)c(c(OCC)c1)OCC	EMOLS-id_181474410,MCULE-4526816162,PC-id_3943706	376.47	HVCACBBTQNEPCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113163
CCCCOCC[C@H]1NC(=O)c2c1n(cc2)S(=O)(=O)c1ccc(cc1)C	SCHEMBL17269716,PC-id_118521480	376.47	RPGPPKJLRBYMHY-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113164
CCOC(=O)c1c(NC(=O)CNC(c2ccc(o2)C)C)sc2c1CCC2	PC-id_112771085	376.47	HRFXPZMRTMMKEW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113165
COC(=O)c1c(NC(=O)C2CCN(C(=O)C3CC3)CC2)sc2c1CCC2	EMOLS-id_44513345,PC-id_71904178,ZINC22_83891611,MCULE-6665652117	376.47	MWBQAOBAJTXNDF-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-113166
COC(=O)c1c(NC(=O)C2CN(C(=O)C2)C2CCCC2)sc2c1CCC2	PC-id_75362200,MCULE-6761057085,EMOLS-id_44515168	376.47	OSEYJTUMYOAPDS-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-113167
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCC2	PC-id_94840318,ZINC22_58996818	376.47	OSEYJTUMYOAPDS-LLVKDONJSA-N	00000010100000000000100010000000000000000000000000000000	25-01-113168
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCC2	PC-id_96999431,ZINC22_83891609	376.47	OSEYJTUMYOAPDS-NSHDSACASA-N	00000010100000000000100010000000000000000000000000000000	25-01-113169
O=C(COC(=O)c1cc2c(s1)CCC2)NC(=O)NCCC1=CCCCC1	MCULE-9757305545,EMOLS-id_44511887,PC-id_7623548,ZINC22_5308037	376.47	VPFDQOQPMFTWIL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113170
O=C(NC1CC1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27520564,ZINC22_17076987,CoCoCo_6832004	376.47	WKSIYLJMSIUWGQ-RYUDHWBXSA-N	00100010100010000000000010000000000000000000000000000000	25-01-113171
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27520566,ZINC22_17076988,CoCoCo_6832005	376.47	WKSIYLJMSIUWGQ-VXGBXAGGSA-N	00100010100010000000000010000000000000000000000000000000	25-01-113172
O=C(NC1CC1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_17076986,PC-id_27520562,CoCoCo_6832003	376.47	WKSIYLJMSIUWGQ-NWDGAFQWSA-N	00100010100010000000000010000000000000000000000000000000	25-01-113173
Clc1cc(ccc1Br)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316640840	376.657	QMSRUQAXMOFBGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113316
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_17076989,PC-id_27520568,CoCoCo_6832002	376.47	WKSIYLJMSIUWGQ-NEPJUHHUSA-N	00100010100010000000000010000000000000000000000000000000	25-01-113174
s1c2c(CCC2)c(c1NC(=O)CN(Cc1oc(cc1)C)C)C(=O)OCC	PC-id_9103459	376.47	NBBFUCJZIJYAMZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113175
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1C	BAS-00486930,PC-id_1202862,CHEMBL1474756,EMOLS-id_1231057,MCULE-7892815864,ZINC22_970535,SPECS-id_AG-690/12883532,CoCoCo_81795,MS2_ST009965	376.471	LVJHUFRZGNIGMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113176
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)C	CoCoCo_81816,PC-id_1242285,BAS-00486980,MCULE-6847522077,ZINC22_1049801,CHEMBL1436055,EMOLS-id_1231099	376.471	OPMRTPBOIYJWAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113177
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1cccc(C)c1	EMOLS-id_1231109,CoCoCo_81821,CHEMBL1365466,SCHEMBL20340283,MCULE-7363271777,BAS-00486990,ZINC22_953697,PC-id_1190619	376.471	KPOOXKVIGQCEIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113178
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1	MCULE-2698850948,CoCoCo_1731242,ZINC22_708189,PC-id_576855,EMOLS-id_2375849	376.471	DNSIKFMLBRRJLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113179
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1	EMOLS-id_8301597,CoCoCo_5968620,ZINC22_1081031,PC-id_1268002,MCULE-7005102198	376.471	LNUCQOKETCWLIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113180
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330834,PC-id_7474973,MCULE-7942045780	376.471	ICRHJQIPWMMRBK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-113181
c1(NC(=O)c2ccccc2c2ccccc2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331610,MCULE-5502501750	376.471	LLBHWSXUJJXBOF-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-113182
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccccc1	EMOLS-id_179141364,MCULE-9171476427,PC-id_1659764	376.471	SDTFSFNBXLEYAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113183
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL7528107,SPECS-id_AN-153/I181390,EMOLS-id_2307097,PC-id_1223920,SPECS-id_AK-968/15605398,Chemmine_12138,CoCoCo_940115,TIMTEC133940,MCULE-3318339922,ZINC22_999995	376.471	DVDWSWRNRDHGPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113184
c1(NC(=O)C=Cc2cccc(c2)OCc2ccccc2)sc2c(CCC2)n1	MCULE-2010756581	376.471	FTFZBWWEKJBHOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113185
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)n1	MCULE-4749117686	376.471	ZFBMWARNZHASNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113186
c1(sc2c(CCC2)n1)NC(=O)C(=Cc1ccc(cc1)OC)c1ccccc1	MCULE-5870935592	376.471	VJQBGRFTUOIBSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113187
COc1ccc(/C=C(/C(=O)Nc2nc3CCCc3s2)c2ccccc2)cc1	EMOLS-id_334661333	376.471	VJQBGRFTUOIBSO-NBVRZTHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113188
O=C(Nc1nc2CCCc2s1)/C=C/c1cccc(OCc2ccccc2)c1	PC-id_84559178,EMOLS-id_181476081	376.471	FTFZBWWEKJBHOV-OUKQBFOZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113189
O=C(Nc1nc2CCCc2s1)/C=C/c1ccc(OCc2ccccc2)cc1	PC-id_84559255,EMOLS-id_181474774	376.471	ZFBMWARNZHASNX-SDNWHVSQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113190
O=C(NCCc1ccccc1)c1cc2c(s1)CCN2C(=O)c1ccccc1	ZINC22_96146785,EMOLS-id_44303544,PC-id_97442312	376.471	DKLPIWXRMZLRFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113191
s1c2CCCc2cc1C(=O)NN=Cc1c(OCc2ccccc2)cccc1	PC-id_85015592	376.471	RNGRTFBOERUGMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113192
s1c2CCCc2cc1C(=O)NNC(=O)Cc1ccc(cc1)c1ccccc1	PC-id_24414315	376.471	RXAXSJVDBMWSDM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-113193
c12c(CCC1C(=O)OCC)sc(NC(=O)CCc1c(C)nn(C)c1C)n2	PC-id_49676401,EMOLS-id_31212904,MCULE-7854156134	376.473	LMSAYPBLLQQJLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113195
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NS(=O)(=O)CCCC)C2)n1	MCULE-2674605692,EMOLS-id_316330801	376.473	YGYGOLPXNPAWBN-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113196
c1(C(=O)NCc2ccccc2)cc2n(CC(NS(=O)(=O)CCCC)C2)n1	MCULE-2956751363	376.473	YGYGOLPXNPAWBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113197
Cc1ccc(cc1NS(=O)(=O)c1cnc2n1CCC2)CN1CCOCC1	EMOLS-id_97700111	376.473	ZJXSBRMARCYONN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113198
Cc1noc(c1C(=O)N)C(C)(C)CN1Cc2c(C1=O)sc(n2)C(C)(C)C	PC-id_134344014,SCHEMBL19968236	376.473	FAKZTWNXPKOCRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113199
CC(c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2)N1CCOCC1	EMOLS-id_97699994	376.473	MYZABPCZMJPSME-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113200
CCc1ccc(cc1)S(=O)(=O)NC1Cn2c(C1)cc(n2)C(=O)NC(C)C	MCULE-7179103851	376.473	QWMSSHZYDMIERM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113201
CCc1ccc(cc1)S(=O)(=O)N[C@H]1Cc2cc(nn2C1)C(=O)NC(C)C	EMOLS-id_316326713,MCULE-5825467929	376.473	QWMSSHZYDMIERM-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113202
CCCCN(C(=O)c1ccccc1S(=O)(=O)N1Cc2c(C1)n(nc2)C)C	EMOLS-id_316646180	376.473	LICGBZSQYKRCBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113203
CCC(=O)Nc1ccc(c(C)c1)S(=O)(=O)NCc1c2CCCc2nn1C	PC-id_91819428,EMOLS-id_53884725,MCULE-8534629673,ZINC22_225819270	376.473	INQFQJDYESUUOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113204
CCOC(=O)[C@@H]1CCc2sc(NC(=O)CCc3c(C)nn(C)c3C)nc12	PC-id_52313864,ZINC22_49026471	376.473	LMSAYPBLLQQJLO-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113205
CCOC(=O)[C@H]1CCc2sc(NC(=O)CCc3c(C)nn(C)c3C)nc12	PC-id_52313865,ZINC22_49026473	376.473	LMSAYPBLLQQJLO-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113206
COc1ccc(cc1)C1CCNCC1NS(=O)(=O)c1cnc2n1CCC2	PC-id_121706898	376.473	BTXCZRUFWPXZNP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113207
NC(=O)c1c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)sc2c1CCC2	EMOLS-id_11942614,CoCoCo_3600093,PC-id_17551445,ZINC22_35286958,MCULE-5135548083	376.473	CXVBRRNIBCKANH-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-113208
O=S(=O)(c1cnc2n1CCC2)Nc1ncccc1OCC1CCCCC1	EMOLS-id_97704911	376.473	DMBYSIJFBOTHHL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-113209
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)OCC)C#N	PC-id_24588658	376.473	HRGLTBJXEUQGBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113210
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cn(nc1)CC)C)C(=O)OC	PC-id_22194225	376.473	IZVBBDWTKYEVIT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113211
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(nn(c1)C)C)C)C(=O)OC	PC-id_22196235	376.473	ZAERYZIZDXGPAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113212
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(n(nc1)C)C)C)C(=O)OC	PC-id_22196382	376.473	LDNBKMRSBZITRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113213
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cn(nc1)C)C)C(=O)OCC	PC-id_22196090	376.473	CFNGJNMNAPUNCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113214
S1Cc2c(n(nc2C1)CC(=O)NCc1occc1)NC(=O)CC(C)(C)C	PC-id_44053252	376.473	CJLVVWRQXUBSAG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113215
S1Cc2c(n(nc2C1)CC(=O)NCc1occc1)NC(=O)C(CC)CC	PC-id_44053253	376.473	XARWOKLIOBULKB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113216
S(=O)(=O)(N(CC)CC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536265	376.473	OHNRVTOMOVNEML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113217
S(=O)(=O)(N(C(C)C)C)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536361	376.473	GBNIGCPTDNIGQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113218
Cc1c(cc(cc1)n1c(=O)c(c([nH]1)C)/C=N/c1c(c2c(s1)CCC2)C#N)C	PC-id_135432835	376.475	OJRAXHGOKJVUAQ-FOKLQQMPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113219
Cc1cc(c(cc1)n1c(=O)c(c([nH]1)C)/C=N/c1c(c2c(s1)CCC2)C#N)C	PC-id_135467541	376.475	GTPCEFUHSOYESD-FOKLQQMPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113220
CC1=NN(c2ccc(C)cc2C)C(=O)/C/1=C/Nc1sc2c(c1C#N)CCC2	ZINC22_101122257,EMOLS-id_49396685,PC-id_22304550,CoCoCo_6900374,GD-id_ZINC05489170	376.475	BUJNXELMCHLEKS-GZTJUZNOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113221
CC1=NN(c2ccc(C)cc2C)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	ZINC22_103785079,SPECS-id_AG-690/37123015,PC-id_5439926,CoCoCo_6900373,EMOLS-id_45932559	376.475	BUJNXELMCHLEKS-BOPFTXTBSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113222
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	EMOLS-id_25802069,ZINC22_100552383,CoCoCo_121760,PC-id_5429834,SPECS-id_AG-690/11821024,BAS-00709898	376.475	DKSDQRCPFPHCCK-WQRHYEAKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113223
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C/1=C/Nc1sc2c(c1C#N)CCC2	EMOLS-id_49396681,CoCoCo_121761,PC-id_22303760,ZINC22_101122138	376.475	DKSDQRCPFPHCCK-WOJGMQOQSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113224
CN(C)c1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324838646	376.475	PMBMDYPMGNEGDM-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113225
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)CCc1ccccc1	MCULE-5471986358	376.475	PMBMDYPMGNEGDM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113226
N1(c2ccc(cc2C)C)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	PC-id_6751229,MCULE-5075102302	376.475	BUJNXELMCHLEKS-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113227
N1(c2ccc(c(C)c2)C)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	MCULE-3989109025,PC-id_6749245	376.475	DKSDQRCPFPHCCK-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113228
c1(cnc(nc1C1CCCNC1)NCc1c2CCCc2[nH]n1)S(=O)(=O)C	PC-id_70761045,MCULE-9256841523,EMOLS-id_43148120	376.476	IPGOCVWROMLLGG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-113229
Cc1nc(C)nc(c1)N1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100213540	376.476	UVFNSYOGWBGKQA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-113230
CC(C)(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1cccs1	PC-id_134798149	376.476	SFVLHAKRIGKHNT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-113231
CC(n1nnc(c1)C1=CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101319917	376.476	BUFWVGWNLJIYMW-UHFFFAOYSA-N	00000010100000000111100010000000000000000000000000000000	25-01-113232
CS(=O)(=O)c1cnc(NCc2n[nH]c3c2CCC3)nc1[C@H]1CCCNC1	PC-id_95885824,ZINC22_72457937	376.476	IPGOCVWROMLLGG-NSHDSACASA-N	00000010100010100001100010000000000000000000000000000000	25-01-113233
CS(=O)(=O)c1cnc(NCc2n[nH]c3c2CCC3)nc1[C@@H]1CCCNC1	ZINC22_72457936,PC-id_95885823	376.476	IPGOCVWROMLLGG-LLVKDONJSA-N	00000010100010100001100010000000000000000000000000000000	25-01-113234
[N-]=[N+]=N[C@H]1CC[C@@H](C[C@H]1NC(=O)c1sc2c(c1)CN(C2)C)C(=O)N(C)C	SCHEMBL13618978,PC-id_57954878	376.476	WLIBDRFRLIFPAO-WCFLWFBJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113235
OCc1nnn(c1)C1CCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010728	376.476	SUTCEFXYITVNBZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113236
s1c(C(=O)NC2CC(CCC2N=[N+]=[N-])C(=O)N(C)C)cc2c1CN(C2)C	PC-id_76674424	376.476	WLIBDRFRLIFPAO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113237
o1c2c(C(C(O)C2)C=CC(O)C(CC=C(C)C)C)cc1CCCCC(=O)O	PC-id_77974969	376.486	IMXJLCPAWGKMEX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113238
o1c2c([C@H]([C@H](O)C2)/C=C/[C@@H](O)C(CC=C(C)C)C)cc1CCCCC(=O)O	PC-id_70481032,SCHEMBL10961270	376.486	IMXJLCPAWGKMEX-JXIUYTQVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113239
o1c2c([C@H]([C@H](O)C2)C=C[C@@H](O)C(CC=C(C)C)C)cc1CCCCC(=O)O	SCHEMBL10985980,PC-id_70486824	376.486	IMXJLCPAWGKMEX-KDGAUACUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113240
o1c2c([C@H]([C@H](O)C2)C=C[C@@H](O)[C@H](CC=C(C)C)C)cc1CCCCC(=O)O	SCHEMBL10985975,PC-id_70486823	376.486	IMXJLCPAWGKMEX-JQERWDHBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113241
CN(C)CCC(c1ccc(cc1)F)NC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956488	376.488	HYGWFTWWJRAPEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113242
CCOC(=O)C1CCc2c1sc(c2C(=O)c1ccc(cc1)S(=O)C)C	SCHEMBL10748132,PC-id_13934077	376.49	GYEXQTDDCOWICK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113243
s1c2CCCc2cc1C(=O)OCCCOC(=O)c1sc2CCCc2c1	PC-id_7503547	376.49	MRZSUCBPZCUIMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113244
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)NCC)C(=O)OC(C)(C)C	EMOLS-id_324356194,MCULE-3383858931	376.493	DMBXWNCGXNGHOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113245
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6043066001,BAS-06261544,MS2_ST096522,EMOLS-id_1478531,PC-id_2937989	376.493	BKOZMAYULUSGHF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113246
c1(NC(=O)CSc2ccccc2N)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6131818,TIMTEC348878,ZINC22_4708520,MCULE-1505557923,EMOLS-id_6827879,PC-id_5302029	376.493	OAWVBUCGGOKVQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113247
c1(NC(=S)Nc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OC	TIMTEC606429,ZINC22_637361,MCULE-1083949526,CoCoCo_6800612,EMOLS-id_664565,PC-id_3310110	376.493	ZWJCKCLKNDRYCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113248
c1(NC(=S)Nc2ccccc2OC)sc2c(CCC2)c1C(=O)OCC	PC-id_1290620,MCULE-2421268648,ZINC22_1112403,EMOLS-id_2191668,STOCK2S-09573	376.493	GFSKTXUEAKGDRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113249
c1(NC(=S)Nc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AJ-292/40393208,EMOLS-id_45973414,PC-id_1130543,BAS-02376400,EMOLS-id_1388543,TIMTEC319013,ChEMBL-DNDi_CHEMBL6164423,CoCoCo_252841,CHEMBL1487666,ZINC22_5092044,MCULE-4402997018,ChEMBL-DNDi_CHEMBL1487666	376.493	MTNMIOBIYYKJIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113250
Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nc4c(s3)CCC4)CCC2)cc1	MCULE-5595974313,EMOLS-id_44549458,PC-id_71885823,ZINC22_84157375	376.493	KLNPEISJRTWNQQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-113251
CCCCn1cc[n+](c1)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	GD-id_ZINC44794367	376.493	KXBBKXGTSWOFAV-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-113252
COc1ccc(cc1)SCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2590334,PC-id_18586310	376.493	BEHOOSMUFVKXRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113253
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1	MCULE-7328729761,ZINC22_8240364,PC-id_9368643,CoCoCo_3305493,EMOLS-id_13511184	376.493	IKSOFFUHYSHMPS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113254
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)N1CCS(=O)(=O)CC1	EMOLS-id_98566108	376.493	DFZVRFHKPLHYLT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113255
O=C(Cn1c(=O)sc(c1C)C)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101168487	376.493	NAIAMHIRNKVIFX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-113256
O=C(COC(=O)c1cc2c(s1)CCC2)c1cnc(N2CCCCC2)s1	EMOLS-id_44518928,MCULE-5799549685,ZINC22_84338914,PC-id_71901196	376.493	FVYCMKAIYGDTDT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113257
O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)C2CCCC2)cc1	ZINC22_50294237,EMOLS-id_48782408,PC-id_49320304,MCULE-9130667198	376.493	NWWHSLOBNLSRPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113258
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1cccs1	CoCoCo_347109,ZINC22_799041,PC-id_1083250	376.493	BKOZMAYULUSGHF-LLVKDONJSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113259
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1cccs1	ZINC22_799042,PC-id_1083251,CoCoCo_347108	376.493	BKOZMAYULUSGHF-NSHDSACASA-N	00000010100100000000000010000000000000000000000000000000	25-01-113260
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1ccc(OC)cc1)C)C(=O)N	PC-id_9063463	376.493	KEUZENYWJJFXBK-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-113261
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1ccc(OC)cc1)C)C(=O)N	PC-id_9063464	376.493	KEUZENYWJJFXBK-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113262
s1c2c(CCC2)c(c1NC(=O)CNc1c(SC)cccc1)C(=O)OC	PC-id_24562359	376.493	MHHQMQGAQJWFGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113263
s1c2c(CCC2)c(c1NC(=O)C(Sc1ccc(OC)cc1)C)C(=O)N	PC-id_84919662	376.493	KEUZENYWJJFXBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113264
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(OCC)cc1)C(=O)N	PC-id_26990109	376.493	UDJNMIAJJSZTSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113265
s1c2c(CCC2)c(c1NC(=O)CSCC(O)c1ccccc1)C(=O)N	PC-id_56138559	376.493	YKAJXZJFAVCFQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113266
s1c2c(CCC2)c(c1NC(=S)Nc1c(cc(OC)cc1)C)C(=O)OC	PC-id_19678179	376.493	ZBRWGRZMOPEJMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113267
s1c2c(CCC2)c(c1NC(=S)Nc1cc(OC)ccc1)C(=O)OCC	PC-id_8659217	376.493	XYJAKEMGKUWDHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113268
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC)ccc(c1)C)C(=O)OC	PC-id_20412337	376.493	SFCBMODCCOFAJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113269
s1c2c(CCC2)c(c1NC(=S)Nc1c(OCC)cccc1)C(=O)OC	PC-id_20412194	376.493	ICDIOAMCHDPFCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113270
s1c2c(CCC2)c(c1NC(=S)NCc1ccc(OC)cc1)C(=O)OC	PC-id_8748237	376.493	KHZBSXCXNOFBGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113271
s1c2c(CCC2)c(c1NC(=S)NCc1c(OC)cccc1)C(=O)OC	PC-id_19649563	376.493	PNHGFCPRFSDOPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113272
S(=O)(=O)(N1CCCC1)c1cc(NC(=O)c2sc3CCCc3c2)ccc1	PC-id_9068851	376.493	AJVIIVXCEYHJPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113273
CCCS(=O)(=O)NC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184322	376.495	OMZCQOOOZAXJJY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113274
CCNC(=NCc1ccc(cc1CSC)F)NCc1nnc2n1CCC2	PC-id_109598602	376.495	LCVLUXSELGNCTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113275
CCNC(=NCc1nnc2n1CCC2)NCCCSc1ccc(cc1)F	PC-id_111020189	376.495	AMOAAIDCOWMIGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113276
CCN(S(=O)(=O)C)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176443	376.495	IPUDHBUYPIJTOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113277
CCS(=O)(=O)N(C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100184817	376.495	JJNQPRMGDDYWJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113278
CN(S(=O)(=O)C)CC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98558464	376.495	MXFUSJLNUACPOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113279
CS(=O)(=O)NC1CCCCC1CNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_98576446	376.495	WBIQLWQEKAOSKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113280
CN=C(N1CCC(CC1)OCC1CCCCO1)NCc1nnc2n1CCC2	PC-id_109448307	376.496	AVXHOKQDLBLQIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113281
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1c(C)c(C)c(c(c1C)C)C	EMOLS-id_112013156	376.496	KZGNEUAKTJJWOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113282
O=C(NC(c1nnc2n1CCC2)C)NC1CCN(CC1)C1CCCCC1O	EMOLS-id_99046183	376.496	QYVLZLQMWHHKLM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113283
CCCCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335799964,MCULE-6772839050	376.5	BZINHTBNESMQMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113284
CC(C)Cc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-4085808295,EMOLS-id_335795090	376.5	DYTHLYDLJUQJPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113285
CC(C)(C)c1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-9072764158,EMOLS-id_335796639	376.5	KQLPCZGVIVANCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113286
Cc1cc(cc(c1S(=O)(=O)N(Cc1nnc2n1CCC2)C)C)C(C)(C)C	CoCoCo_4491305,MCULE-9082363048,PC-id_16588371,EMOLS-id_11994911	376.516	SUWNYCWNLOUKOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113287
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCCc1nnc2n1CCC2	EMOLS-id_50558142,PC-id_99803801,ZINC22_170620770,MCULE-4718696220	376.516	YSUFABXGTIVLQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113288
O=C(C1CCCN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)NCC1CC1	EMOLS-id_102000108	376.516	RABOUYNYZLURNI-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-113289
O=C(C1CCN(CC1)C(=O)N1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180195	376.516	WXDIODSGUPPHQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113290
O=C(N1CCC(CC1)N1CCCCC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005490	376.516	GNJUSUFLEYIHQJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113291
O=C(N1CCCC(CC1)N1CCCC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102012730	376.516	HHYWEEPZAQNLSC-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-113292
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)NC(C)(C)C)CC)C#N	PC-id_51302714	376.516	MHZNHAFATHFEKX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113293
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCC1=CCCCC1	PC-id_7685511	376.516	YIPYBQUGMWHEBP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-113294
s1c(C2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_74744494	376.516	BULIHDDUHLAVFE-UHFFFAOYSA-O	00000010100100000000100010000000000000000000000000000000	25-01-113295
s1c([C@H]2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_41045930	376.516	BULIHDDUHLAVFE-LBPRGKRZSA-O	00000010100100000000100010000000000000000000000000000000	25-01-113296
s1c([C@@H]2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_41045936	376.516	BULIHDDUHLAVFE-GFCCVEGCSA-O	00000010100100000000100010000000000000000000000000000000	25-01-113297
s1c(C(=O)N2CC[NH+](CC2)CC(=O)N2CCCCCC2)cc2c1CCC2	PC-id_40817950	376.536	JAYFYPLKENMRPV-UHFFFAOYSA-O	00000010100010000101000010000000000000000000000000000000	25-01-113298
c12SCCn1cc(CNC(=O)N1CCCCC1CCc1cccs1)n2	EMOLS-id_82736977,MCULE-6243920466,PC-id_119072436	376.539	HJLVXKDCQLHKKL-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-113299
O=C(N1CCC(CC1)c1ncc(s1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007332	376.539	HZHCGVLSQAZMDF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113300
O=C(NCc1cn2c(n1)SCC2)N1CCCC[C@H]1CCc1cccs1	ZINC22_426662071	376.539	HJLVXKDCQLHKKL-HNNXBMFYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-113301
O=C(NCc1cn2c(n1)SCC2)N1CCCC[C@@H]1CCc1cccs1	ZINC22_426662072	376.539	HJLVXKDCQLHKKL-OAHLLOKOSA-N	00000010100110000001000010000000000000000000000000000000	25-01-113302
CCCCCCCCC1(CCCCCCCC)C(=O)c2c(C1=O)csc2	SCHEMBL1498220,PC-id_58401147	376.596	ZRZNYFAMUWCGGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113303
CCCCN(C1=NC(=O)c2c1c(sc2C(C)(C)C)C(C)(C)C)CCCC	PC-id_145552829	376.599	XMVLUODMOIETGU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-113304
Cc1ccc(O)c(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324912133	376.646	OZWMXNSOXRWMHE-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113305
COc1ccccc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324913152	376.646	SDOSUGVTTJJCLO-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113306
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324907535	376.646	YYFQOAJQSVAPHD-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113307
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324914176	376.646	VYIJAEHPXRQMKZ-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113308
n12c(=O)c(=Cc3ccccc3OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1064515886	376.646	SDOSUGVTTJJCLO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113309
n12c(=O)c(=Cc3ccc(cc3)OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7991080378	376.646	YYFQOAJQSVAPHD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113310
n12c(=O)c(=Cc3cc(C)ccc3O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5964637764	376.646	OZWMXNSOXRWMHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113311
n12c(=O)c(=Cc3cccc(OC)c3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5024497789	376.646	VYIJAEHPXRQMKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113312
Brc1ccc(c(c1)Cl)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316641075	376.657	BFBHKUOPHMWNJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113313
n12c(=O)c(=Cc3ccc(c(c3)N(=O)=O)Cl)sc1nc(C(F)(F)F)n2	MCULE-4906385387	376.698	LJKZGGLMTKWGLU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113317
[O-][N+](=O)c1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)ccc1Cl	EMOLS-id_324908554	376.698	LJKZGGLMTKWGLU-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113318
Brc1sc(C(NCC)c2sc3c(CCC3)c2)cc1Cl	PC-id_80531168	376.763	QQPRGSJIOQPDGZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113319
CCNC(c1sc(c(c1)Br)Cl)c1sc2c(c1)CCC2	PC-id_102828437	376.763	LLEACZPDMBRUJS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113320
ClCC(=O)N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)OCC)C1	PC-id_71477564	376.794	WTUNBPBJYXZJLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113321
Clc1cc(N/N=C/C(=Nn3c2nnc3C(=O)O)C(C)(C)C)c(OC)cc1	PC-id_57757575	376.798	RITOWUUFVFGZSB-ODLFYWEKSA-N	00000011100000110001000010000000000000000000000000000000	25-01-113322
Clc1cc(NN=C2C(=Nn3c2nnc3C(=O)O)C(C)(C)C)c(OC)cc1	PC-id_70989658	376.798	RITOWUUFVFGZSB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-113323
Clc1ccc(c(c1)F)C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98095427	376.813	QMBLSEVDFLEPPL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113324
O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	MCULE-2057804633,ZINC22_128178598,EMOLS-id_177209441	376.813	MYLLAVRJCZMJML-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113325
O=C(c1cnn2c1CCC2)N1CCN(CC1)C(=O)c1c(F)cccc1Cl	EMOLS-id_101204475	376.813	GYOJMZYNTFDTTM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113326
O=C(c1n[nH]c2c1CCC2)N1CCN(C(=O)c2c(F)cccc2Cl)CC1	MCULE-9023939606,EMOLS-id_98272056,ZINC22_102915332	376.813	HKCYTPJQVQHPKQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113327
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(O)cc1	PC-id_8604143	376.814	NIXXMMJYVNKCFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113328
N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2O)sc2c1CCC2	EMOLS-id_43787929,MCULE-5509111181,ZINC22_7199524,PC-id_8307082,CoCoCo_3130436	376.814	WGKOOSAWOJNGBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113329
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3ccccc3Cl)C2)n1	MCULE-7960508995,EMOLS-id_316335923	376.837	GSMUAFJKIWUIQX-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113330
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3cccc(Cl)c3)C2)n1	EMOLS-id_316330813,MCULE-6433664064	376.837	RXPVGMWKVXTZRG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113331
c1(C(=O)NCCOC)cc2n(CC(NC(=O)Cc3ccccc3Cl)C2)n1	MCULE-1635268038	376.837	GSMUAFJKIWUIQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113332
c1(C(=O)NCCOC)cc2n(CC(NC(=O)Cc3cccc(Cl)c3)C2)n1	MCULE-3759643295	376.837	RXPVGMWKVXTZRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113333
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)Cc3cccc(Cl)c3)Cc12	MCULE-8138129472,EMOLS-id_316322615	376.837	QYZUOKYENPCQFS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113334
Cc1c(Cl)cccc1C(=O)N1Cc2[nH]nc(COCC(=O)N(C)C)c2C1	EMOLS-id_313725906,ZINC22_2055713510	376.837	YLGOVPVAMZCAMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113335
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCc2n[nH]c3c2CCC3)c1	PC-id_72893128,ZINC22_96150882,MCULE-2143397104,EMOLS-id_49161852	376.837	YPCCELYZGVQXQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113336
Clc1cc(/C=C/C(=O)NCc2n3CCCc3nn2)cc(OCC)c1OC	PC-id_52371666	376.837	HZBRSMOTZNIVTO-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113337
Clc1cc(C=CC(=O)NCc2n3CCCc3nn2)cc(OCC)c1OC	PC-id_75835039	376.837	HZBRSMOTZNIVTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113338
Clc1c(OCC)c(OC)cc(/C=C/C(=O)NCc2n3CCCc3nn2)c1	PC-id_52371671	376.837	LBDADLLPGYGERR-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113339
Clc1c(OCC)c(OC)cc(C=CC(=O)NCc2n3CCCc3nn2)c1	PC-id_75835044	376.837	LBDADLLPGYGERR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113340
Clc1cc(NC(=O)NCc2n3CCCc3nn2)c(N2CCOCC2)cc1	PC-id_52190527	376.841	DZXCTICZGAIBEA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113341
O=C(Nc1cc(ccc1Cl)N1CCOCC1)NCc1nnc2n1CCC2	PC-id_118775144	376.841	ZHEPBCOLEZAZDJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113342
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1COC1	PC-id_135188094,SCHEMBL20340251	376.857	IWPKQIMFAOUHSY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-113343
c1(NC(=O)CCC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348450,PC-id_84418169,MCULE-7335477408	376.857	VSPLBZXJGVAFQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113344
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)Cl)C2)n(C)nc2CSCc12	STOCK7S-24224,EMOLS-id_36792131,MCULE-1328945279,PC-id_60179548	376.86	FUKBKIYHZQJXNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113345
c1(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)n(C)nc2CSCc12	EMOLS-id_35790529,PC-id_52996894,MCULE-2062666723,STOCK7S-16407	376.86	XZPCTCLTZKDYMZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113346
Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3cccc(Cl)c3)C1)CSC2	PC-id_52902578,ZINC22_61721713	376.86	XZPCTCLTZKDYMZ-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113347
Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3cccc(Cl)c3)C1)CSC2	ZINC22_61721714,PC-id_52902579	376.86	XZPCTCLTZKDYMZ-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-113348
Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CSC2	PC-id_95858801,ZINC22_72400509	376.86	FUKBKIYHZQJXNI-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-113349
Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CSC2	ZINC22_72400508,PC-id_95858800	376.86	FUKBKIYHZQJXNI-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113350
CCC(C1(O)CCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C)C(=O)O	SCHEMBL2510737,PC-id_67434383	376.877	FWMZRSXMVFHXGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113351
CCOC(=O)CC1(O)CCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C	PC-id_58460230,SCHEMBL12199302	376.877	JWVBDZPNFYQMTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113352
Clc1cccc(c1)N1CCN(CC1)CCCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_53786528,PC-id_53786528	376.88	DYWYXBNPBBDJJK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113353
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1Cl)OC	PC-id_112393988	376.884	GIOQQEHADPGPRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113354
CCNC(=NCc1nnc2n1CCC2)N(CCOc1ccc(cc1)Cl)C	PC-id_111308214	376.884	AQANOBVOBAUICA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113355
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1ccc(cc1)Cl)C	PC-id_111510287	376.884	KWCPLYQEAWZEAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113356
c1(C(=O)N(CC)CC)c2CCCc2sc1NC(=O)c1ccccc1Cl	EMOLS-id_1231039,ChEMBL-DNDi_CHEMBL3367-1175,PC-id_1242283,BAS-00486899,ZINC22_1049799,MCULE-1175867210,MS2_ST005788,CoCoCo_81786	376.9	MHKWZBDUXWOMPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113357
CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc2c(s1)CNC2	ZINC22_1875392003	376.9	RZCFWKMUKMGPKQ-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113358
CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc2c(s1)CNC2	ZINC22_1875392004	376.9	RZCFWKMUKMGPKQ-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113359
CC1=C([S]=C(N1)c1ccc(Cl)cc1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_320528690	376.903	UNKNXPRBTODPTG-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113360
O=C(CN1CCNCC1c1ccccc1Cl)Nc1sc2c(n1)CCC2	PC-id_120757458	376.904	OTGCWJHHHPTAOW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113361
O=C(CN1CCNCC1c1cccc(c1)Cl)Nc1sc2c(n1)CCC2	PC-id_120770910	376.904	MIEFIPDDPUUHOF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113362
c1(NC(=O)CCCSc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-8020117756,PC-id_16800239,ChEMBL-DNDi_CHEMBLF2813-0866,EMOLS-id_5624078,CoCoCo_5189497,ZINC22_10218161	376.923	XKGYDFGCLOOPFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113363
Clc1sc(S(=O)(=O)C2CN(c3sccc23)CCN(C)C)cc1	PC-id_22149019,SCHEMBL5240654	376.945	ZBQRNQNRHNZFGG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113364
Clc1sc(S(=O)(=O)c2sc3N(CCc3c2)CCN(C)C)cc1	SCHEMBL5240655,PC-id_69367260	376.945	GXESABQGUBAYPD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113365
CCOC(=O)CC1=C(C(=C(S1)F)N=C2N3CCCN3C(=O)S2)Cl	PC-id_153896482	377.007	QYQQJYHSSZTTDP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-113366
CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)S2	CoCoCo_5722862,PD052953,ZINC22_5853265	377.03	NFRKBWQUXLOCMO-WQLSENKSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113367
C1CCC(CC1)(CNC(=O)C2=NC3=C(S2)CCO3)C4=CN=C(C=C4)Cl	PC-id_153936319	377.096	KNBDIAUPTAUJGP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113368
C=C(N)N[C@H]1CC2=C([C@@H]1NC(=O)C(=O)CC3=CC(=C(C=C3)Cl)F)N=CN2	PC-id_161344784	377.105	UFVFKTSLLZPUHL-XJKSGUPXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113369
CC[N+]1(CC2=C(C1)SC(=C2C(=O)N)CC(=O)CC3=CC=C(C=C3)Cl)C	PC-id_161273940	377.109	VEEORFDMTDTXST-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-113370
Clc1cc2c(s1)CCC2Nc1cc(Cl)c(cc1Br)C	PC-id_104722769	377.127	OEFHFZBFKALXCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113371
CC1CCc2c1c(Br)nn2Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_330965754,MCULE-9719292085	377.175	DRSRFUGHFSJZOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113372
CC1CCc2c1c(Br)nn2Cc1cc(ccc1F)C(F)(F)F	EMOLS-id_330966779,MCULE-8873775611	377.175	SBVIAMXIPCQCHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113373
CC1CCc2c1c(Br)nn2Cc1cccc(c1F)C(F)(F)F	MCULE-4615545533,EMOLS-id_330966011	377.175	JTFFPAHMUZCDDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113374
CC1CCc2c1c(Br)nn2Cc1ccc(c(F)c1)C(F)(F)F	EMOLS-id_330966010,MCULE-3559489550	377.175	RXWYGQFPLVKOFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113375
CC1CCc2c1c(Br)nn2Cc1ccc(F)c(c1)C(F)(F)F	EMOLS-id_330966267,MCULE-2814035974	377.175	POIUNMPOTCNZCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113376
CC1CCc2c1c(Br)nn2Cc1ccc(F)cc1C(F)(F)F	MCULE-6309475470,EMOLS-id_330968314	377.175	KPRQADOPIDQZSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113377
CC1CCc2c1c(Br)nn2Cc1cc(F)ccc1C(F)(F)F	MCULE-3094118061,EMOLS-id_330968570	377.175	WFZCQOWMVSFDCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113378
CC1CCc2c1c(Br)nn2Cc1cc(F)cc(c1)C(F)(F)F	MCULE-3120335857,EMOLS-id_330966523	377.175	UEHPIPJBUUXOKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113379
CC1CCc2c1c(Br)nn2Cc1c(F)cccc1C(F)(F)F	EMOLS-id_330968058,MCULE-4012347499	377.175	BCWKWDRZXVEYDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113380
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(Br)c12	EMOLS-id_331014312,MCULE-5583966966	377.175	SKIHHODMEYZJHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113381
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(Br)c12	MCULE-5607362250,EMOLS-id_331017382	377.175	JKYOORFNEJHPKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113382
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(Br)c12	MCULE-8826929981,EMOLS-id_331017639	377.175	NNEWEAYOXXKZOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113383
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(Br)c12	EMOLS-id_331017638,MCULE-6165646743	377.175	OTXGIVUMXSERCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113384
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(Br)c12	EMOLS-id_331015847,MCULE-8922825678	377.175	JJOKYDDTDYHUOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113385
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(Br)c12	MCULE-5217877603,EMOLS-id_331017895	377.175	QSOHFLVHSLUTPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113386
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(Br)c12	EMOLS-id_331016103,MCULE-9717760252	377.175	IPKCFUGADHZCIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113387
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(Br)c12	EMOLS-id_331018151,MCULE-6832306446	377.175	MRDRFOGPSZQTTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113388
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(Br)c12	EMOLS-id_331015591,MCULE-4893306141	377.175	MZXLWVXHEKYPPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113389
CC1=C(N2CCCC2=C1C(=O)OC(C)(C)C)C(=O)C(=O)NC(C)(C)C(=O)N	PC-id_160141370	377.195	BPVSTVLBBFCVDM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113390
Brc1cnc(c(c1)C(F)(F)F)NCc1sc2c(c1)CCC2	PC-id_106796041	377.223	ABUYGLJHZPCPFD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113391
s1c2c(C(NC(=O)CNC(=O)C(NC(=O)[B])CC(C)C)C(O)C2=O)cc1	PC-id_6331388	377.223	PNIOOXRHDSMJNE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113392
ClCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1ccc(Cl)cc1	PC-id_76319210	377.225	DCCSSABVIHUOAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113393
ClCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1c(Cl)cccc1	PC-id_51042536	377.225	YMVHVOYXAHMVQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113394
C=C(c1ccccc1)CCOc1oc(c2c1C(=O)OC2(C)C)Br	PC-id_101757554	377.229	IXVDHUYOZSEIGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113395
Brc1ccc(C(=O)c2n3c(CCC3)c(c2N)C(=O)OCC)cc1	PC-id_23765750	377.232	UGSZESWELFSAKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113396
Brc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C	SCHEMBL2923367,PC-id_59768165	377.236	VSQBEACPYRFCLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113397
CC(=O)NC(c1ccc(cc1)Br)CC(=O)N1CCn2c1ncc2	MCULE-8044468119,EMOLS-id_316587456	377.236	AMIXEMPEQPVLOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113398
CCCCCCCCC(CCCCCC)CC1=C2C(=CS1)C(=O)NC2=O	PC-id_161978684	377.239	YPIYCHRXRXTLBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113399
Brc1ccc(c(c1)F)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_116528502	377.252	LNSKGZNCYBTDDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113400
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)ccc(F)c1	PC-id_61072808	377.252	JHNLRCOSGREWOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113401
Fc1cc(ccc1Br)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_103709767	377.252	JGOBEPFJPOZJDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113402
Brc1ccccc1OCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_1118538,ChEMBL-DNDi_CHEMBL8001-4023,PC-id_600687,MCULE-7444692602	377.256	TZBZXMOOGYQXJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113403
Brc1cccc(OCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-8007337885,EMOLS-id_2569830,PC-id_4038628,ZINC22_2495495,ChEMBL-DNDi_CHEMBL3771-5898	377.256	FOFIWIICPDCWIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113404
Brc1ccc(OCC(=O)Nc2c(C#N)c3c(CCC3)s2)cc1	MCULE-4745786142,PC-id_4511741,EMOLS-id_328108676	377.256	YXLYWHJPVPXKQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113405
c1(Br)cc(C(=O)Nc2sc3CCCc3c2C#N)c(cc1)OC	PC-id_4511578,EMOLS-id_327891920,MCULE-3026941833	377.256	NNWXKDCJIJEAHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113406
c1(cc(C(=O)Nc2sc3CCCc3c2C#N)ccc1OC)Br	EMOLS-id_327901301,PC-id_4511572,MCULE-9610375106	377.256	DZNAVPQMJMHBFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113407
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(Br)c2)C)n1	EMOLS-id_330994941,MCULE-2374134407	377.276	DAGXJIMWMDZLAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113408
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2Br)C)n1	EMOLS-id_330996733,MCULE-7661719752	377.276	DGTZZXVVCKATKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113409
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2C)Br)n1	EMOLS-id_330997756,MCULE-4496450731	377.276	DACZNCNSHWMXGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113410
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)cc(Br)c2)n1	EMOLS-id_330995197,MCULE-3927138980	377.276	SFNHOXHOFOEXKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113411
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(C)ccc2Br)n1	MCULE-2416343875,EMOLS-id_330996989	377.276	PESHVVHCLUZTRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113412
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(C)c2)Br)n1	MCULE-3482567102,EMOLS-id_330993917	377.276	INKSLQXTGFXQCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113413
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(C)c2Br)n1	MCULE-7326861557,EMOLS-id_330997245	377.276	MOXNVOAUEPHABI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113414
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)C	MCULE-7482708368,EMOLS-id_330979768	377.276	BVISPPVSSBHDLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113415
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1Br)C	MCULE-1586267676,EMOLS-id_330977465	377.276	UUGBSYHRULWARK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113416
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1C)Br	EMOLS-id_330978488,MCULE-2142700797	377.276	ANZMLYIKQLARKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113417
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)cc(Br)c1	EMOLS-id_330980024,MCULE-6047201299	377.276	VYGRKPAIVZMCJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113418
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(C)c1)Br	EMOLS-id_330978744,MCULE-1262839046	377.276	QVXVPVLWRNYSEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113419
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(C)ccc1Br	MCULE-3047021037,EMOLS-id_330977721	377.276	HHSNTCWEWYHURW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113420
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(C)c1Br	MCULE-8903005471,EMOLS-id_330977977	377.276	FIFGCVMLOPJLBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113421
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016370,MCULE-2523211448	377.276	RLWHWHWNVMFGCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113422
Brc1c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)scc1	PC-id_61073139	377.281	VUCYDFXNMAZFQR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-113423
Brc1c(S(=O)(=O)NC(c2n3CCCc3nn2)C)scc1	PC-id_61456512	377.281	OERNRMRPZSAJQE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-113424
Brc1nnn(c1S(=O)(=O)NCc1sc2c(c1)CCC2)C	PC-id_106467416	377.281	KUYMVPJPBGPIJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113425
Brc1sc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_60713808	377.281	ORIUOIWUPDWFIN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-113426
Brc1sc(S(=O)(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_61392353	377.281	KUSVUPLRDQIVCJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-113427
Cc1nc(sc1Br)S(=O)(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101318497	377.281	ITKZMSWBLDKOEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113428
CN=C(N(Cc1ccccc1Br)C)NCc1nnc2n1CCC2	PC-id_111276081	377.282	DGUHFCDJKOFCSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113429
CN=C(N(Cc1ccc(cc1)Br)C)NCc1nnc2n1CCC2	PC-id_111293133	377.282	XVRSSBJYIUJDSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113430
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccccc2C(F)(F)F)n1	BAS-01939640,ChEMBL-DNDi_CHEMBL1894807,SPECS-id_AG-690/40697727,EMOLS-id_1359677,ZINC22_869814,TIMTEC130302,MCULE-9293875209,CoCoCo_224967,PC-id_1129742	377.284	DRAVTLCKENEKSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113431
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cccc(c2)C(F)(F)F)n1	BAS-01939642,PC-id_1129744,ZINC22_869816,MCULE-1195064006,EMOLS-id_1359681,CoCoCo_224969	377.284	ROQBCBUYBZYSMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113432
c1(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n(C)nc2CCCc12	ZINC22_35596716,CoCoCo_5273107,EMOLS-id_28197124,PC-id_44062375,MCULE-6246249737	377.284	CCLGMDDSSLBRAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113433
ICCCCCCNC(=O)c1sc2c(c1)CCC2	PC-id_107848216	377.284	WDHAPPQBSJSTNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113434
s1c2c(CCC2=O)c(Oc2c(F)cc(F)cc2)c1NC(=O)C(F)(F)F	PC-id_16639332	377.286	YNGCIPWBYNMFSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113435
C[C@H]1[C@H](C(c2c1c(nn2CC(=O)ON1C(=O)CCC1=O)C(F)F)(F)F)C	SCHEMBL19788821,PC-id_134186222	377.291	QKHBFQDBFUZQOJ-NKWVEPMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113436
[O-][N+](=O)c1ccc(NC2=Nc3n(C2=Nc2ccc([N+](=O)[O-])cc2)ccn3)cc1	PC-id_10937695	377.314	TTWKHVGILSWGRP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-113437
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CBr	EMOLS-id_331017138,MCULE-1353224393	377.319	DWPFXRKZFRCQEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113438
O=S(=O)(c1cnc2n1CCC2)Nc1ccccc1OCC1CCCCO1	EMOLS-id_100967791	377.458	GHRLKPBQHXZMAU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113597
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1CBr	MCULE-2234636800,EMOLS-id_331016626	377.319	QENBOANKNOIAOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113439
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1CBr	MCULE-8477107463,EMOLS-id_331015862	377.319	JWLTZVRMEWRSDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113440
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)O	PC-id_28860336,EMOLS-id_179129578,MCULE-6292246622	377.329	OAQCHVFMAUAYLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113441
Brc1c2S(=O)(=O)C=C(CCCCCCCCC)c2sc1	PC-id_44254993	377.36	NLIZISSVCOKAER-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-113442
BrC1=CS(=O)(=O)c2c(CCCCCCCCC)csc12	PC-id_44254994	377.36	HUNMESDHLOEMEG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-113443
CCCCC(COC(=O)c1sc2c(c1Br)CSC2)CC	PC-id_102582502	377.36	VEBFLTTVWWKQNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113444
c1(Nc2ccc(cc2N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	ZINC22_5332620,SPECS-id_AN-153/I120929,PC-id_3422591,MCULE-6332128767,SPECS-id_AT-084/J157972,CoCoCo_5854771,EMOLS-id_3758109	377.372	SHPNKNNSDOLMFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113445
s1c2c(CCC2)c(c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)OC	PC-id_41502999	377.372	WSXRAJDXRZSSAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113446
c1(NC(=O)COc2nonc2C(=O)NCCO)sc2CCCc2c1C#N	MCULE-5321819016,EMOLS-id_333716797	377.375	DIJPXWAAMWPTEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113447
C/C=CC=C/C(=C)[C@@H]1C[C@@H](c2n1nc(n2)S(=O)(=O)CCOC(F)F)F	SCHEMBL20967723,PC-id_138605486	377.382	IRWFQKMSFCETFR-PQAUAXEHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113448
O=C(c1cnn(c1C(F)(F)F)c1ccccc1)NC1Cc2c(C1)ccs2	PC-id_21050761,SCHEMBL2458242	377.383	IKLQHFLTLCIPLT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113449
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccc1F)C(=O)OC	ChEMBL-DNDi_CHEMBL1413166,BAS-02778624,CHEMBL1413166,PC-id_2788743,ChEMBL-DNDi_CHEMBL6344088,EMOLS-id_1398641,STOCK2S-60510,MCULE-7329219070	377.387	HYVSCDDKXROHGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113450
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cccc(F)c1)C(=O)OC	MCULE-2134516254,PC-id_19175115	377.387	JVOJQRLNUCVBBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113451
COC(=O)c1c(NC(=O)c2ccccc2F)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_261893,ZINC22_942478,PC-id_1182805	377.387	HYVSCDDKXROHGT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113452
COC(=O)c1c(NC(=O)c2ccccc2F)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_942479,CoCoCo_261892,PC-id_1182806	377.387	HYVSCDDKXROHGT-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-113453
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCC2	MCULE-5164201858,EMOLS-id_19367217,CoCoCo_3045819,ZINC22_6579234,PC-id_24363693	377.387	ZCDVEIRJKHJEHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113454
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(F)cc1)C(=O)OC	PC-id_7478255	377.387	BEHKVNATXRDMKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113455
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)ccc1)C(=O)OC	PC-id_16524064	377.387	NMLCYLWGNWEZIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113456
C1C(CN1C(=O)COc1ccccc1F)C(=O)Nc1c2CSCc2no1	PC-id_90512650	377.39	ZHMWATKSNXRVSW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-113457
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N)cc(F)cc1)C(=O)N	PC-id_8468632	377.39	NLFXTYKXLIMUMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113458
O1[C@@H](n2c(OC3CCn4c3c(cc4)CO)nc(=O)c(c2)C)C[C@H](O)[C@H]1CO	PC-id_178760	377.392	QTZDWEDIYGWFCN-LJKOUDNXSA-N	00000010100000100001100010000000000000000000000000000000	25-01-113459
O1[C@@H](n2c(O[C@H]3CCn4c3c(cc4)CO)nc(=O)c(c2)C)C[C@H](O)[C@H]1CO	PC-id_178761	377.392	QTZDWEDIYGWFCN-BYNSBNAKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-113460
O1C(n2c(OC3CCn4c3c(cc4)CO)nc(=O)c(c2)C)CC(O)C1CO	PC-id_78172910	377.392	QTZDWEDIYGWFCN-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-113461
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(cccc1N(=O)=O)O	MCULE-8769607167,EMOLS-id_328220028	377.393	FXWKTDYPBOVYNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113462
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1O)N(=O)=O	MCULE-7145813724,EMOLS-id_328220284	377.393	ZYBYYOISZMLLTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113463
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)Oc1ccccc1)CC	STOCK6S-50833,PC-id_135635976,MCULE-2244736188,EMOLS-id_17105995	377.397	XGFAHCNUULDXAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113464
CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Oc3ccccc3)cc1)C(=O)N2	PC-id_135897656,ZINC22_13721068	377.397	XGFAHCNUULDXAR-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113465
CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Oc3ccccc3)cc1)C(=O)N2	PC-id_135897657,ZINC22_13721070	377.397	XGFAHCNUULDXAR-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113466
C[C@@H]1C[C@H](NC(=O)c2cccnc2Oc2ccccc2C(=O)N)c2nccn12	ZINC22_2325855875	377.397	SGSKYULCGWOUOH-DOMZBBRYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113467
C[C@@H]1C[C@@H](NC(=O)c2cccnc2Oc2ccccc2C(=O)N)c2nccn12	ZINC22_2325855876	377.397	SGSKYULCGWOUOH-IUODEOHRSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113468
C[C@H]1C[C@@H](NC(=O)c2cccnc2Oc2ccccc2C(=O)N)c2nccn12	ZINC22_2325855877	377.397	SGSKYULCGWOUOH-SWLSCSKDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113469
C[C@H]1C[C@H](NC(=O)c2cccnc2Oc2ccccc2C(=O)N)c2nccn12	ZINC22_2325855878	377.397	SGSKYULCGWOUOH-WFASDCNBSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113470
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2914105,PC-id_68439070	377.397	PFFBDOMJRKLNPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113471
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2921804,PC-id_68441721	377.397	JGIDWZOVMJZWTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113472
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2924078,PC-id_68442672	377.397	QSEGHYMFRKAIKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113473
O=C(c1cc([N+](=O)[O-])c(NCCc2n3CCCc3nn2)cc1)c1ccccc1	PC-id_78835663	377.397	XXKHXPPYNFQNOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113474
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1O)NCc1ccccc1	SCHEMBL2924688,PC-id_68442919	377.397	IAEJPOKJFKDDDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113475
O=C(N1Cc2c([nH]nc2NC(=O)COc2ccccc2)C1)Nc1ccccc1	PC-id_68441127,SCHEMBL2919948	377.397	BNDNWAHRVDPLMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113476
C1Cc2nnc(n2C1C(=O)NCc1cnccc1)CNC(=O)c1cnccc1	PC-id_134791344	377.4	HZFIACITSZICPA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113477
c1(C(=O)NCc2cccnc2)cnn2CC(Cc12)NC(=O)c1cnc(cn1)C	MCULE-2412262660	377.4	DDEIVEWTYJISGL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113478
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cnc(cn1)C	MCULE-3554365322,EMOLS-id_316323632	377.4	DDEIVEWTYJISGL-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113479
O=C(c1ccc(c(c1F)F)F)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109950	377.403	GOCYSSKDEUHPPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113480
c1(NC(=O)COc2c(=O)ccoc2C)sc2c(CCC2)c1C(=O)OCC	STOCK6S-99788,ZINC22_40285973,PC-id_49655919,EMOLS-id_30507540,MCULE-8133762246	377.412	RFFZVNAWUNQOAI-UHFFFAOYSA-N	00000010100000100000000010000000000000000000000000000000	25-01-113481
CCOc1ccc(cc1)C(=O)c1n2CCC(c2cc1S(=O)(=O)C)C(=O)O	SCHEMBL10816883,PC-id_20235074	377.412	YAQHXJZDBXCQJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113482
COc1cc(cc(OC)c1OC)C(=O)Nc1sc2CCCc2c1C(=O)O	PC-id_1537266,ZINC22_1466076,EMOLS-id_2944773,CoCoCo_3746357,CHEMBL1559073,MCULE-4553612112	377.412	VIRVPNMYNMQKLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113483
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(oc(c1)C)C)C(=O)OC	PC-id_7419181	377.412	XPDNLOZKFYDKGX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113484
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(occ1)C)C(=O)OCC	PC-id_8967244	377.412	ALRFGLSGYKTNGZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113485
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(cc1)C)C(=O)OCC	PC-id_2626078	377.412	PSAZEMQIQGMWAZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113486
S1(=O)(=O)[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)Cc1ccccc1	PC-id_11326385	377.412	CDHGIOBJFALWQG-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113487
S1(=O)(=O)C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)Cc1ccccc1	PC-id_72802440	377.412	CDHGIOBJFALWQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113488
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)n(C)nc(C(=O)OCC)c1	TIMTEC555548,EMOLS-id_4054890,ZINC22_2785410,PC-id_4765193,MCULE-1689467564,CoCoCo_5809217	377.415	XROCUUSRGYJZLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113489
CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=Cc1ccc([N+](=O)[O-])cc1)/S2	ZINC22_1636459,CoCoCo_5722863,PC-id_6326631	377.415	NFRKBWQUXLOCMO-XYOKQWHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113490
COc1cc(cc(c1OCC(=O)N)OC)C(=O)Nc1sc2c(n1)CCC2	PC-id_33040556,MCULE-4339002714,EMOLS-id_257856479	377.415	RPUYHHTVYZSVOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113491
O=C(Nc1onc2c1CCC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1	MCULE-4786711122,EMOLS-id_12336439,CoCoCo_5123830,ZINC22_8976377,PC-id_16828677	377.415	FBQNLDRAOOTQCH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113492
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(CCC)c(=O)[nH]c1=O)N	PC-id_7238897	377.415	UOULLBTWNCVMQJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113493
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(onc1C)C)C)C(=O)N	PC-id_8954899	377.415	SQFIDSJKJVRKFI-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-113494
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(onc1C)C)C)C(=O)N	PC-id_8954902	377.415	SQFIDSJKJVRKFI-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113495
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(noc1C)CC)C(=O)N	PC-id_7531222	377.415	RQRDJAFAXALJAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113496
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(onc1C)C)C)C(=O)N	PC-id_84882490	377.415	SQFIDSJKJVRKFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113497
s1c2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)[n+]2c(c1C(=O)OCC)C	PC-id_377084	377.415	NFRKBWQUXLOCMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113498
COc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324917767	377.416	ARKRLBCAKJKTFX-AODRXXHBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113499
n12nc(nc1sc(=Cc1ccccc1OC(=O)C)c2=O)Cc1ccccc1	MCULE-2777776831	377.416	XERDSPRNXDXWBB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113500
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)Cc1ccccc1	MCULE-5886545702	377.416	WDEDTXBBPZGHTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113501
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)Cc1ccccc1	MCULE-9184938691	377.416	FUDNTRWGMKXWOC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113502
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)C=Cc1ccccc1	MCULE-6809903153	377.416	ARKRLBCAKJKTFX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113503
s1c2CCCc2c(c1N=Cc1oc(c2c([N+](=O)[O-])cc(cc2)C)cc1)C#N	PC-id_50885620	377.416	NUFWUGHOWBPJIP-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-113504
S(=O)(=O)(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)C)C1)N(C)C	PC-id_71458697	377.418	QSMMRLXGCRJKGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113505
s1c2c(CCC2)c(c1Nc1nc(NC(C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127479	377.421	CIJSUQIBMATRDR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113506
s1c2c(CCC2)c(c1Nc1nc(NCCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127493	377.421	QTDCPBVMSVASQN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113507
COC1(CCN(CC1)C(=O)NC(c1sc2c(n1)CCC2)C)C(F)(F)F	MCULE-3753866404,EMOLS-id_316207398	377.425	ZEMDAGSDPAMLML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113508
COC1(C(F)(F)F)CCN(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)CC1	ZINC22_574546114	377.425	ZEMDAGSDPAMLML-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-113509
COC1(C(F)(F)F)CCN(C(=O)N[C@H](C)c2nc3c(s2)CCC3)CC1	ZINC22_574546115	377.425	ZEMDAGSDPAMLML-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113510
c1c(OCC)c(C(=O)Nc2sc3CCCc3c2C(=O)OCC)ccc1F	EMOLS-id_328098343,MCULE-1258412825	377.43	QBZLETQSJJJHET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113511
c1(NC(=O)C(C)Oc2ccccc2F)sc2c(CCC2)c1C(=O)OCC	MCULE-3730506290,PC-id_3327138	377.43	FDVKULSFZHGVLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113512
c1(NC(=O)C(C)Oc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AF-399/41894955,EMOLS-id_8209256,PC-id_4275385,TIMTEC260588,MCULE-2219497089	377.43	KGICAQAYFSLUEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113513
CCOC(=O)c1c(NCC(=O)c2ccc(c(c2)F)OC)sc2c1CCC2	PC-id_110825764	377.43	KLHJYYBDKSUIIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113514
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc2c1CCC2	CoCoCo_5910581,ZINC22_702505,PC-id_1033145	377.43	KGICAQAYFSLUEJ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-113515
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc2c1CCC2	ZINC22_702504,PC-id_1033144,CoCoCo_5910582	377.43	KGICAQAYFSLUEJ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113516
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-4111787639,EMOLS-id_322861031	377.435	FIVUOMCJRHYPLJ-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-113517
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324921858	377.435	QXCWKQOUJMQRMO-BLPDYOKRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113518
CCOC(=O)C1=C(NC2CCCCC2)n2n(C1C(=O)OCC)c(=O)cc2C	PC-id_102210608	377.435	NMPZCNCZUINYNH-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-113519
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)C=Cc1ccc(cc1)F	MCULE-3883913317	377.435	UGPKBNCGICCNTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113520
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-3654790393	377.435	QXCWKQOUJMQRMO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113521
c1(NC(=O)C(=O)NN=Cc2cccs2)sc2c(CCC2)c1C(=O)OC	MCULE-3030763222,PC-id_2015628	377.438	HVTYUKTUMLKBTB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113522
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccs2)sc2c1CCC2	STOCK4S-52003,PC-id_6890244,EMOLS-id_26343149	377.438	HVTYUKTUMLKBTB-CAOOACKPSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113523
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)NC1CCS(=O)(=O)C1	SCHEMBL7145145	377.438	VPGGXUIMUIMKMJ-WDZFZDKYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-113524
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)NC1CCS(=O)(=O)C1	SCHEMBL7145149,PC-id_59043164	377.438	VPGGXUIMUIMKMJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-113525
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)N[C@@H]1CCS(=O)(=O)C1	PC-id_70003306,SCHEMBL7145147	377.438	VPGGXUIMUIMKMJ-VUUNSECVSA-N	00000010110000000000000010000000000000000000000000000000	25-01-113526
O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1ccc([N+](=O)[O-])s1	MCULE-3281456831,ZINC22_65067581,PC-id_95089218,EMOLS-id_48226517	377.438	CEZMKGALLLPSHH-UHFFFAOYSA-N	00100010100100000000000010000000000000000000000000000000	25-01-113527
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1ccc(cc1)[N+](=O)[O-]	PC-id_46893672,SCHEMBL3397867	377.438	JGYZLROBFCRGQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113528
s1c2c(CCC2)c(c1NC(=O)/C=C/c1sc([N+](=O)[O-])cc1)C(=O)NC	PC-id_7475043	377.438	CSWZCBOKFIRCTN-FNORWQNLSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113529
s1c2c(CCC2)c(c1NC(=O)C=Cc1sc([N+](=O)[O-])cc1)C(=O)NC	PC-id_78487958	377.438	CSWZCBOKFIRCTN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113530
s1c2c(CCC2)c(c1NC(=O)CSc1ncccc1C(=O)O)C(=O)N	PC-id_4148365	377.438	PBDJSBXDBIMGQM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113531
s1c2c(CCC2)c(c1NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_17299758	377.438	AICLCONPKZEZEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113532
s1c2c(CCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_20411623	377.438	IERFDHJHKRHOKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113533
s1c2c(CCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_20411582	377.438	PBPZRCXDKPKHSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113534
O(c1c(cc(C(=O)NCc2n3CCCc3nn2)cc1C)C)Cc1cccnc1	PC-id_39296793	377.44	JUYRAJGGOPGZHC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113535
O(c1c(NC(=O)NCc2n3CCCc3nn2)ccc(c1)C)Cc1ccccc1	PC-id_52278498	377.44	HDHBTNFTTWNUMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113536
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1c[nH]cc1	PC-id_10177615,SCHEMBL2944470	377.44	XTELXHJWJXJMLM-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-113537
n12CCCc1nnc2CNc1ccc(cn1)C(=O)NCCCc1ccccn1	EMOLS-id_36575972,PC-id_56743182,ZINC22_67675290,MCULE-9250664701	377.443	RIYPGRPDICLSQC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113538
O=C(c1[nH]nc2c1CCC2)N1CCC(CC1)Cn1nnc(c1)c1ccccn1	PC-id_31161150,CoCoCo_1561117,CoCoCo_1561116	377.443	WFKRMNKYABXIEF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113539
N1NC(NN=C2C(=Nn3c2nnc3C)C(C)(C)C)C(C1c1ccccc1)C#N	PC-id_72243396	377.446	HUDYGOACYSFXGK-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113540
N1NC(NN=C2C(=Nn3c2nnc3C)C(C)(C)C)C([N+]#[C-])C1c1ccccc1	PC-id_72243401	377.446	ZAHQIDDAJXXSHB-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113541
N1NC(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)C(C1c1ccccc1)C#N	PC-id_72243399	377.446	RJDIKHGREFSIOB-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113542
N1NC(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)C([N+]#[C-])C1c1ccccc1	PC-id_72243400	377.446	LDVGWGOIFCRVPQ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-113543
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1ccc(F)cc1)C(=O)OCC	PC-id_2357658	377.453	UKTAPJBDRSELTL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-113544
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)OC(C)C	EMOLS-id_4055034,MCULE-5434691327,PC-id_17378791,TIMTEC426818	377.455	RJXKFNJSNGFMEK-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113545
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCC2)c1C(=O)OC	PC-id_4607240,TIMTEC255591,EMOLS-id_4055026,MCULE-5612643059	377.455	KAUAXXYGEUBGJP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113546
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCC2)c1C(=O)OCCC	MCULE-3917668423,TIMTEC149436,EMOLS-id_4055032,PC-id_17378803	377.455	FMJRZWGAYXQTCU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113547
CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834407,PC-id_40559135,ZINC22_5727299	377.455	RJXKFNJSNGFMEK-VXGBXAGGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113548
CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834408,ZINC22_5727307,PC-id_40559143	377.455	RJXKFNJSNGFMEK-NWDGAFQWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113549
CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834693,ZINC22_5952066,PC-id_40573726	377.455	FMJRZWGAYXQTCU-RYUDHWBXSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113550
CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_40559133,CoCoCo_6834410,ZINC22_5727298	377.455	RJXKFNJSNGFMEK-NEPJUHHUSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113551
CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_40573722,CoCoCo_6834694,ZINC22_5952056	377.455	FMJRZWGAYXQTCU-NEPJUHHUSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113552
CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_5727306,CoCoCo_6834409,PC-id_40559141	377.455	RJXKFNJSNGFMEK-RYUDHWBXSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113553
CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_5952058,PC-id_40573724,CoCoCo_6834691	377.455	FMJRZWGAYXQTCU-VXGBXAGGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113554
CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_5952068,CoCoCo_6834692,PC-id_40573728	377.455	FMJRZWGAYXQTCU-NWDGAFQWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113555
COC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCC2	CoCoCo_6791306,PC-id_40444775,ZINC22_2801617	377.455	KAUAXXYGEUBGJP-CHWSQXEVSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113556
COC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCC2	ZINC22_2801616,CoCoCo_6791308,PC-id_40444773	377.455	KAUAXXYGEUBGJP-QWHCGFSZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113557
COC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCC2	ZINC22_2801618,PC-id_40444777,CoCoCo_6791307	377.455	KAUAXXYGEUBGJP-STQMWFEESA-N	00000010100011000000000010000000000000000000000000000000	25-01-113558
COC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCC2	ZINC22_2801619,CoCoCo_6791309,PC-id_40444779	377.455	KAUAXXYGEUBGJP-OLZOCXBDSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113559
O=C(C1CCCCC1)Nc1sc2c(c1C(=O)OC1CCOC1=O)CCC2	EMOLS-id_24105657,MCULE-4650476467,PC-id_42889964	377.455	PWYRUZIXBYLDSH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113560
O=C(C1CCCCC1)Nc1sc2c(c1C(=O)O[C@@H]1CCOC1=O)CCC2	CoCoCo_2889313,PC-id_41733124	377.455	PWYRUZIXBYLDSH-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113561
O=C(C1CCCCC1)Nc1sc2c(c1C(=O)O[C@H]1CCOC1=O)CCC2	PC-id_41733125,CoCoCo_2889312	377.455	PWYRUZIXBYLDSH-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113562
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCC=CC1)C(=O)OCC	PC-id_45678009	377.455	PELXWWLHPOCJNX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113563
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC1CCC=C1)C(=O)OCC	PC-id_84920428	377.455	IFBREXITXFTPFW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-113564
s1c2c(CCC2)c(c1NC(=O)COC(=O)C[C@@H]1CCC=C1)C(=O)OCC	PC-id_9065632	377.455	IFBREXITXFTPFW-LBPRGKRZSA-N	00000011100000000000000010000000000000000000000000000000	25-01-113565
s1c2c(CCC2)c(c1NC(=O)COC(=O)C[C@H]1CCC=C1)C(=O)OCC	PC-id_9065633	377.455	IFBREXITXFTPFW-GFCCVEGCSA-N	00000011100000000000000010000000000000000000000000000000	25-01-113566
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1CCC=CC1)C(=O)OCC	PC-id_7932091	377.455	PELXWWLHPOCJNX-LBPRGKRZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113567
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1CCC=CC1)C(=O)OCC	PC-id_7932092	377.455	PELXWWLHPOCJNX-GFCCVEGCSA-N	00000010100011000000000010000000000000000000000000000000	25-01-113568
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AN-153/I120915,ZINC22_792680,CoCoCo_116401,TIMTEC272853,EMOLS-id_1260432,CB5560117,BAS-00675450,SPECS-id_AT-084/J165630,PC-id_1078866,MCULE-3934089267	377.456	KTXHVODEIBZDFU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-113569
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)O	PC-id_1042284,MCULE-3103718437,CoCoCo_880046,ZINC22_714972,STOCK2S-94753,EMOLS-id_2434144,ChEMBL-DNDi_CHEMBL7113653	377.456	XURMCMFXDBAMAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113570
O=C(Nc1sc2CCCc2c1C(=O)c1ccccc1)OCc1ccccc1	EMOLS-id_331240034	377.456	ZDKVHHHVNCNULH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113571
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)CSc1ccccc1	PC-id_139746951	377.456	NZZLRJSKMOGDLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113572
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)CSc1ccccc1	PC-id_139746954	377.456	KVLCSNGXPZTCRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113573
s1c2CCCc2cc1C(=O)OCc1ccc(cc1)C(=O)Nc1ccccc1	PC-id_7238731	377.456	AMJODQVNJKCAJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113574
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(c2ccccc2)cccc1	PC-id_16505599	377.456	QONGNUPCNBLWRR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-113575
c1(NC(=O)c2ccc(cc2)OCC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_2666485,ZINC22_3008403,ChEMBL-DNDi_CHEMBLF0541-0039,PC-id_4687997,EMOLS-id_5438327,MCULE-8090964608	377.458	ZYMCOEACGKEBGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113576
c1(NC(=O)c2ccc(cc2OC)OC)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-8363486559,PC-id_2051009,EMOLS-id_5443071	377.458	HAYBDGRGVKALTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113577
c1(NC(=O)c2ccc(c(OC)c2)OC)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160514,EMOLS-id_5443105,MCULE-9909253894	377.458	BQCPRJAFOSBEJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113578
c1(NC(=O)c2c(C)noc2C)sc2c(CCC2)c1C(=O)NCCCOC	ZINC22_71195087,EMOLS-id_36375795,TIMTEC305052,MCULE-3691840540,PC-id_56730643	377.458	MEEAZBDPRMBTGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113579
c1(NC(=O)c2cc(OC)cc(OC)c2)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160431,MCULE-7541052118,EMOLS-id_5442933	377.458	LIGHKPRYUYPXNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113580
c1(NC(=O)Cc2ccc(cc2)OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_5438351,ZINC22_3008428,ChEMBL-DNDi_CHEMBL1879932,MCULE-6802975945,CoCoCo_4982174,PC-id_4126624	377.458	FEAAEOIOKRYFFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113581
c1(NC(=O)C(C)Oc2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-1242975342,PC-id_3536902,EMOLS-id_30135023	377.458	PATIZEPFOLXPCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113582
c1(NC(=O)COc2ccccc2C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_5065645,PC-id_7484587,EMOLS-id_12136946,MCULE-4273654073,ZINC22_5077900	377.458	PUKOIHRYDDPGDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113583
c1(NC(=O)COc2ccc(cc2)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_7484591,ZINC22_5077905,CoCoCo_5065647,MCULE-2057172990,EMOLS-id_12136948,CHEMBL1362907	377.458	LZLFBTXPLPFXEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113584
c1(NC(=O)COc2cccc(C)c2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-6782192083,ZINC22_5077902,PC-id_7484589,CoCoCo_5065646,ChEMBL-DNDi_CHEMBL1312699,EMOLS-id_5531005,CHEMBL1312699	377.458	IQVUQCRJTVTDIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113585
C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2	PC-id_7031849,ZINC22_3008434	377.458	PATIZEPFOLXPCO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113586
C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2	PC-id_7031850,ZINC22_3008435	377.458	PATIZEPFOLXPCO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113587
CCOc1ccccc1C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0541-0038,PC-id_4343502,CoCoCo_2666484	377.458	DMTRTUARUPMEPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113588
COc1cccc(c1C(=O)Nc1c2C[S@](=O)Cc2nn1C(C)(C)C)OC	CoCoCo_4985511,PC-id_11863922	377.458	LTFUDMSPJKPSJC-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-113589
COc1cccc(c1C(=O)Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C)OC	PC-id_11877768,CoCoCo_4985512	377.458	LTFUDMSPJKPSJC-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113590
COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1OC	ZINC22_2725147,PC-id_11877796,CoCoCo_4985692	377.458	BQCPRJAFOSBEJC-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113591
COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1OC	ZINC22_4106298,CoCoCo_4985691,PC-id_11863948	377.458	BQCPRJAFOSBEJC-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-113592
COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)c(OC)c1	CoCoCo_4985641,ZINC22_4106280,PC-id_11863424	377.458	HAYBDGRGVKALTG-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-113593
COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)c(OC)c1	CoCoCo_4985642,PC-id_11877789,ZINC22_2456857	377.458	HAYBDGRGVKALTG-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113594
COc1cc(OC)cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)c1	PC-id_11877765,CoCoCo_4985496,ZINC22_2725064	377.458	LIGHKPRYUYPXNX-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113595
COc1cc(OC)cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)c1	ZINC22_4106212,CoCoCo_4985495,PC-id_11863916	377.458	LIGHKPRYUYPXNX-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-113596
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C1CCCCC1)C(=O)OCC	PC-id_3372269	377.458	BTGVLOHVTRRPOH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113598
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=CC1CCCCC1)C(=O)OC	PC-id_4136873	377.458	WQERLQVUNMOLJO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113599
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/C1CCCCC1)C(=O)OC	PC-id_9648988	377.458	WQERLQVUNMOLJO-VXLYETTFSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113600
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(OC)cccc1OC	PC-id_2160440	377.458	LTFUDMSPJKPSJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113601
[S@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(OC)c(OC)ccc1	PC-id_11863917	377.458	NVDULIUPZQSREU-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-113602
[S@@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(OC)c(OC)ccc1	PC-id_11883786	377.458	NVDULIUPZQSREU-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113603
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(OC)c(OC)ccc1	PC-id_2160433	377.458	NVDULIUPZQSREU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113604
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)[O-])C1C[n+]2n(C1)c(cc2C)C	PC-id_85050397	377.458	JPZGTEHDKVKPBX-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-113605
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)[O-])C1C[n+]2n(C1)c(cc2C)C	PC-id_9842696	377.458	JPZGTEHDKVKPBX-HBJVGIJOSA-N	00001011100000000001001010000000000000000000000000000000	25-01-113606
S(=O)(=O)(CCCC(=O)Nc1n(nc2c1CCC2)C)c1ccc(OC)cc1	PC-id_45536348	377.458	XZTXSKIENSFRSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113607
c1(c2CCCc2sc1N=Cc1cccnc1)C(=O)Nc1ccccc1OC	MCULE-8146915757,PC-id_3819928	377.459	ZJVHUQTYJYGKCZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113608
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccc(cc1)C	EMOLS-id_1231105,CoCoCo_81819,PD114054,ZINC22_970538,SCHEMBL2132168,PC-id_1202865,MCULE-3372435919	377.459	IRNORQITCMARMV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113609
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1C	EMOLS-id_2086296,ZINC22_727188,CoCoCo_666314,PC-id_1049755,MCULE-6351170489,SPECS-id_AE-848/34090106	377.459	SLZKHCYYXOSDRN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113610
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1cccc(C)c1	BAS-00486987,CoCoCo_81820,PC-id_1284347,ZINC22_1104475,EMOLS-id_1231107,MCULE-3574307189	377.459	WNLIZAWLWQGFQY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113611
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1cccnc1	EMOLS-id_2275220,PC-id_2990739,MCULE-8322821952,ZINC22_4865697,TIMTEC159050,CoCoCo_1022316	377.459	FXBSCHBPYQPKFB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113612
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)NCc1ccccc1	PC-id_17172975,CoCoCo_1068719,EMOLS-id_13330122,MCULE-2495607376,ZINC22_13329160,TIMTEC63721	377.459	AUZZBHCFILUJIL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113613
Cc1ccc(c2oc(CCC(=O)Nc3c(C#N)c4c(CCC4)s3)nc2)cc1	EMOLS-id_322837948,MCULE-1248609512	377.459	JGMFVODKQAUUCE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113614
Cc1ccccc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324849909	377.459	HQTVHNPFJUAVHD-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113615
Cc1ccccc1/C=c/1sc2nc(COc3c(C)cccc3C)nn2c1=O	EMOLS-id_324873222	377.459	FSOZSNWSQJRFTD-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113616
Cc1ccccc1NC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCC2	MCULE-6724192023,ZINC22_1104461,PC-id_1284333	377.459	HJHZAYNFNKVCRC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113617
Cc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324851443	377.459	SBRYXKFSOBYYTH-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113618
Cc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324870661	377.459	OFQPZPARFJKLOY-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113619
Cc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324876807	377.459	TVJLWACDRQYKQK-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113620
Cc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324878858	377.459	WQHXIIZHOPNERP-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113621
Cc1ccc(CCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324909058	377.459	YAAPYKDGXCEURM-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113622
Cc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324852980	377.459	VPONGYARWOKKOP-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113623
Cc1cccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1	EMOLS-id_324872198	377.459	CEKNOBMQSINAOV-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113624
Cc1cccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1	EMOLS-id_324874249	377.459	RCKNWMVTLLKKMI-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113625
Cc1cccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)c1	EMOLS-id_324880395	377.459	RZUHTXZTZRNVCJ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113626
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)c1	EMOLS-id_324881419	377.459	OKOXURDILXJSLW-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113627
Cc1cccc(OCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)c1C	EMOLS-id_324875273	377.459	RTIVXPOPXFAIMC-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113628
CCc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324847866	377.459	FKXUDAPNWDGRGK-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113629
CCc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324866051	377.459	RAHLNSLKWYZLGR-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113630
CCc1cccc(OCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)c1	EMOLS-id_324888583	377.459	WLLCQVXOMVPOJN-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113631
CCc1cccc(OCc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)c1	EMOLS-id_324887559	377.459	VJPOXNMUJXCBBD-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113632
CCc1cccc(OCc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)c1	EMOLS-id_324890117	377.459	VHMKIZBESUKNBQ-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113633
CCc1ccc(OCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)cc1	EMOLS-id_324883470	377.459	XDVZGVOPDIUWKB-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113634
CCc1ccc(OCc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324882446	377.459	QDTUCBYYXCCNHE-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113635
CCc1ccc(OCc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)cc1	EMOLS-id_324885004	377.459	RXYWDZCJDLPCOU-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113636
CC(C)c1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324839167	377.459	RTBPEMNSNLSJTD-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113637
CC(C)c1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324846318	377.459	RLBAWGQPOHRAME-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113638
CCCc1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324848356	377.459	VUEQQSAFRRQPMI-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-113639
CCCOc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324835577	377.459	LXUKPRZZJVRGAL-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-113640
CC(C)Oc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324836601	377.459	MJRYTOCJZNUNDL-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113641
CCOc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324838647	377.459	VEBMIKPWXQLJMY-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113642
CCOc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324841211	377.459	PBESLJXCXGRCJT-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113643
COc1ccccc1/C=c/1sc2nc(CCc3ccc(C)cc3)nn2c1=O	EMOLS-id_324905997	377.459	MKHVZEBPWLTLOC-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-113644
COc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1cccnc1	EMOLS-id_46388757,CoCoCo_6250549,ZINC22_4545638,PC-id_9637535	377.459	ZJVHUQTYJYGKCZ-YDZHTSKRSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113645
COc1ccccc1NC(=O)c1c(/N=Cc2cccnc2)sc2c1CCC2	CoCoCo_6250550	377.459	ZJVHUQTYJYGKCZ-QRVIBDJDSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113646
COc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324904460	377.459	RHYFWULEZOSYIX-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-113647
COc1cccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324902926	377.459	KSAXSLIZRAOISN-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-113648
n12c(=O)c(=Cc3cccc(c3)OCc3ccccc3)sc1nc(C(C)C)n2	MCULE-6592563914	377.459	RLBAWGQPOHRAME-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113649
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCCOc1ccccc1	MCULE-9936120134	377.459	HQTVHNPFJUAVHD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113650
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1ccc(cc1)CC	MCULE-6939168147	377.459	XDVZGVOPDIUWKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113651
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1cccc(C)c1C	MCULE-2725800388	377.459	RTIVXPOPXFAIMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113652
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1c(C)cccc1C	MCULE-5101647074	377.459	FSOZSNWSQJRFTD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113653
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)COc1cccc(C)c1C	MCULE-8771226421	377.459	TVJLWACDRQYKQK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113654
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1cc(C)ccc1C	MCULE-9409685189	377.459	OKOXURDILXJSLW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113655
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)COc1c(C)cccc1C	MCULE-9518594254	377.459	OFQPZPARFJKLOY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113656
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1cccc(CC)c1	MCULE-2677585773	377.459	WLLCQVXOMVPOJN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113657
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)CCOc1ccccc1	MCULE-8069185404	377.459	FKXUDAPNWDGRGK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113658
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)COc1ccc(cc1)C	MCULE-1441280027	377.459	RAHLNSLKWYZLGR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113659
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CCC	MCULE-8530762073	377.459	VUEQQSAFRRQPMI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113660
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCc1ccc(cc1)C	MCULE-1676941967	377.459	MKHVZEBPWLTLOC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113661
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)CCc1ccc(cc1)C	MCULE-7256686691	377.459	YAAPYKDGXCEURM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113662
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)CCc1ccccc1	MCULE-6598911099	377.459	VEBMIKPWXQLJMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113663
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)CCCOc1ccccc1	MCULE-4921388607	377.459	SBRYXKFSOBYYTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113664
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCCOc1ccccc1	MCULE-7868850427	377.459	VPONGYARWOKKOP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113665
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1ccc(cc1)CC	MCULE-5115562262	377.459	QDTUCBYYXCCNHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113666
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)COc1ccc(cc1)CC	MCULE-7855718145	377.459	RXYWDZCJDLPCOU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113667
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)COc1cc(C)ccc1C	MCULE-2128333435	377.459	WQHXIIZHOPNERP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113668
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1c(C)cccc1C	MCULE-4285672252	377.459	CEKNOBMQSINAOV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113669
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1cc(C)ccc1C	MCULE-7869026448	377.459	RZUHTXZTZRNVCJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113670
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1cccc(C)c1C	MCULE-9567689970	377.459	RCKNWMVTLLKKMI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113671
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1cccc(CC)c1	MCULE-3181992225	377.459	VJPOXNMUJXCBBD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113672
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)COc1cccc(CC)c1	MCULE-8944229130	377.459	VHMKIZBESUKNBQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113673
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)COc1ccccc1	MCULE-4571504295	377.459	RTBPEMNSNLSJTD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113674
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCc1ccc(cc1)C	MCULE-7772524999	377.459	KSAXSLIZRAOISN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113675
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCc1ccccc1	MCULE-9774247607	377.459	PBESLJXCXGRCJT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113676
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)Cc1ccccc1	MCULE-2983350424	377.459	MJRYTOCJZNUNDL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113677
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)Cc1ccccc1	MCULE-3604986577	377.459	LXUKPRZZJVRGAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113678
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)CCc1ccc(cc1)C	MCULE-5223709160	377.459	RHYFWULEZOSYIX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113679
O=C(c1sc2c(c1)N(CC2)C(=O)c1ccccc1)NCCc1ccncc1	PC-id_97524483	377.459	ODIHJYSNYPDMPK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113680
O=C(NCCc1ccccc1)c1cc2c(s1)CCN2C(=O)c1cccnc1	EMOLS-id_44378898,ZINC22_96264527,PC-id_97524466	377.459	PJDFAFBSGYKQOY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113681
O=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1ccccc1	EMOLS-id_44303564,ZINC22_96146795,PC-id_97442322	377.459	SKAISJHZJHLXPY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113682
O=C(NCCc1cccnc1)c1cc2c(s1)CCN2C(=O)c1ccccc1	EMOLS-id_44303542,ZINC22_96146784,PC-id_97442311	377.459	FNQTVQPPZICNQS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113683
s1c2c(CCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)Nc1ncccc1	PC-id_23964381	377.459	IWHJPKIEPDKWHF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-113684
s1c2CCCc2c(c1NC(=O)CNC(c1ccccc1)c1occc1)C#N	PC-id_78755887	377.459	KYLWGZJLOIVIER-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-113685
s1c2CCCc2c(c1NC(=O)CN[C@@H](c1ccccc1)c1occc1)C#N	PC-id_8696288	377.459	KYLWGZJLOIVIER-FQEVSTJZSA-N	00000010101000110000000010000000000000000000000000000000	25-01-113686
s1c2CCCc2c(c1NC(=O)CN[C@H](c1ccccc1)c1occc1)C#N	PC-id_8696290	377.459	KYLWGZJLOIVIER-HXUWFJFHSA-N	00000010101000110000000010000000000000000000000000000000	25-01-113687
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1	PC-id_16947554	377.459	BGSFCLNILDBUDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113688
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(cccc1)C	PC-id_16947077	377.459	RDLPVSNRHOUYPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113689
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(ccc1)C	PC-id_16947078	377.459	ANZOJBOIIBOAQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113690
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)C	PC-id_16947079	377.459	NBEUDRSGZIUTFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113691
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCc1ccccc1	PC-id_16947053	377.459	DDWBYHLVQWUBJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113692
s1c2CCCc2nc1NC(=O)c1cc(NC(=O)c2ccccc2)c(cc1)C	PC-id_46411519	377.459	HVGCNQJEQTTZKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113693
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)S(=O)(=O)CCCC	MCULE-6402653316,EMOLS-id_207863149	377.461	GBBLVONVTKGRTG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-113694
Cc1ccccc1N(CC(=O)NCCc1nnc2n1CCC2)S(=O)(=O)C	MCULE-6294970323,ZINC22_69587566,PC-id_53529304,EMOLS-id_36268766	377.461	NEJATYYCVSGNLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113695
Cc1cc(C(=O)NCc2nnc3n2CCC3)cc(S(=O)(=O)N(C)C)c1C	PC-id_25478924,CoCoCo_4560495,EMOLS-id_18825858,MCULE-4325365899,ZINC22_12746589	377.461	INYUPKXKUVHFGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113696
CC1OC(C)CN(C1)c1ccc(cn1)NS(=O)(=O)c1cnc2n1CCC2	MCULE-9538732037,EMOLS-id_100383214	377.461	AQPMQHDYWOWWDN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113697
CC(CCNS(=O)(=O)c1ccc(cc1)NC(=O)N1CCn2c1ncc2)C	EMOLS-id_316666709	377.461	BHZDUUXYSLIFKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113698
CC(C)NS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2CCC3)c1	ZINC22_14077203,CoCoCo_4525770,MCULE-2788217355,EMOLS-id_44034288,PC-id_17558789	377.461	UWQGWMZRMZVNAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113699
CCCNS(=O)(=O)c1ccc(NC(=O)NCc2n[nH]c3c2CCC3)cc1	ZINC22_96166519,MCULE-7733842641,EMOLS-id_49175850,PC-id_72932192	377.461	SBIVAYINPFAKBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113700
C[C@H]1CN(c2ccc(NS(=O)(=O)c3cnc4n3CCC4)cn2)C[C@@H](C)O1	ZINC22_330044084	377.461	AQPMQHDYWOWWDN-BETUJISGSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113701
C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cnc4n3CCC4)cn2)C[C@@H](C)O1	ZINC22_330044085	377.461	AQPMQHDYWOWWDN-CHWSQXEVSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113702
C[C@H]1CN(c2ccc(NS(=O)(=O)c3cnc4n3CCC4)cn2)C[C@H](C)O1	ZINC22_330044086	377.461	AQPMQHDYWOWWDN-STQMWFEESA-N	00000010100010101001100010000000000000000000000000000000	25-01-113703
Cn1nc(c(c1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C1CCCCC1	EMOLS-id_110389624	377.461	ZWCMXWIPLOISIC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113704
CSCCC(C(=O)N(Cc1nnc2n1CCC2)C)NC(=O)c1ccco1	PC-id_45887281,MCULE-5424861889,EMOLS-id_30252451	377.461	DBEDZNPQLSJCME-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113705
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1nnc2n1CCC2	PC-id_51943578,ZINC22_40092659	377.461	DBEDZNPQLSJCME-GFCCVEGCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113706
CSCC[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1nnc2n1CCC2	PC-id_51943579,ZINC22_40092662	377.461	DBEDZNPQLSJCME-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113707
O=C(c1cnn(c1C)C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110420971	377.461	KIHFBZGFIAOHBV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113708
O=C(c1nn(c(c1)C)C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481240	377.461	DZSGFUWTOFKBSM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113709
O=C(N1CCOCC1CC(c1cccs1)O)NCc1nnc2n1CCC2	EMOLS-id_43670140,PC-id_71855343,MCULE-1309435589	377.461	XHGFMUPUBGOIMK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-113710
O=C(NCc1nnc2n1CCC2)N1CCOC[C@H]1C[C@H](O)c1cccs1	PC-id_96538288,ZINC22_79075656	377.461	XHGFMUPUBGOIMK-OLZOCXBDSA-N	00000010100110000001000010000000000000000000000000000000	25-01-113711
O=C(NCc1nnc2n1CCC2)N1CCOC[C@@H]1C[C@H](O)c1cccs1	PC-id_96538290,ZINC22_79075672	377.461	XHGFMUPUBGOIMK-STQMWFEESA-N	00000010100110000001000010000000000000000000000000000000	25-01-113712
O=C(NCc1nnc2n1CCC2)N1CCOC[C@H]1C[C@@H](O)c1cccs1	ZINC22_79075649,PC-id_96538287	377.461	XHGFMUPUBGOIMK-CHWSQXEVSA-N	00000010100110000001000010000000000000000000000000000000	25-01-113713
O=C(NCc1nnc2n1CCC2)N1CCOC[C@@H]1C[C@@H](O)c1cccs1	ZINC22_79075662,PC-id_96538289	377.461	XHGFMUPUBGOIMK-QWHCGFSZSA-N	00000010100110000001000010000000000000000000000000000000	25-01-113714
Cc1ccc(n2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCC4)n2)c(C)c1	PC-id_71902727,EMOLS-id_44515162,ZINC22_58988311,MCULE-3563850985	377.463	KXLBQDHRFQZGOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113715
CCc1cc(nn1CC(=O)N1Cc2c(C1)sc(n2)C)c1cccc(c1)C#N	PC-id_89608134,SCHEMBL15002224	377.463	LVLYYGLAKGDZKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113716
n1(CC(=O)NCCc2sc3c(CCC3)n2)nnnc1CN1CCOCC1	ZINC22_95506016,EMOLS-id_48630432,PC-id_72866919,MCULE-2647719636	377.465	DOFMKBMCCYPSHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113717
[N-]=[N+]=N[C@H]1CC[C@@H](C[C@@H]1NC(=O)c1sc2c(n1)CN(C2)C)C(=O)N(C)C	PC-id_141224637	377.465	NBNIHMAGYOHFBK-DCAQKATOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113718
[N-]=[N+]=N[C@H]1CC[C@@H](C[C@H]1NC(=O)c1sc2c(n1)CN(C2)C)C(=O)N(C)C	SCHEMBL1503931,PC-id_59677056,SCHEMBL13668216	377.465	NBNIHMAGYOHFBK-GARJFASQSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113719
s1c(nc2c1CN(C2)C)C(=O)NC1CC(CCC1N=[N+]=[N-])C(=O)N(C)C	PC-id_72355390	377.465	NBNIHMAGYOHFBK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113720
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CCC2C(=O)OCCC	SCHEMBL10814059,PC-id_20253944	377.476	FYBOVUTVJVXOPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113721
CCCCCOC(=O)C1=CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)CC	SCHEMBL10818938,PC-id_70450971	377.476	XPJLJSZWPZZDRK-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-113722
Fc1ccccc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110030	377.476	VLQQXMUBAINUEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113723
c1(cccs1)C(=O)CCC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-5745893401,EMOLS-id_327879472	377.478	YMBOZVWPMYZFTF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113724
CCC(C=O)N1Cc2c(S1(=O)=O)sc(c2)C=Cc1ccc(cc1)OC	SCHEMBL13786876,PC-id_89171821	377.478	UAZNFZVWANRNBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113725
CCC(N1Cc2c(S1(=O)(C)O)cc(s2)C#Cc1ccccc1)C(=O)O	PC-id_143828620	377.478	HOWSKSFPROKCIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113726
COC(=O)C1CCn2c1cc(c2C(=S)c1ccc(cc1)C)S(=O)(=O)C	SCHEMBL10813116	377.478	CQYUCXCENNBMDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113727
[O-]C(=O)C[C@H](CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2)C	PC-id_27520728,GD-id_ZINC17077425	377.478	BYLVRGWMDKNGMM-NSHDSACASA-M	00000010100000000000000010000000000000000000000000000000	25-01-113728
s1c2CCCc2cc1C(=O)OCC(=O)c1sc(CCNC(=O)C)cc1	PC-id_46644644	377.478	GOUQXCZWWSLGPR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113729
s1c2CCCc2cc1C(=O)OC(C(=O)c1sc(CNC(=O)C)cc1)C	PC-id_46684940	377.478	KDSOXGHUTAYORA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113730
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1oc(cc1)C)C)C(=O)OCC	PC-id_9103458	377.478	NBBFUCJZIJYAMZ-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-113731
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(OC)cc1)C(=O)OC	PC-id_41320604	377.478	ZUXSZGQPBCXRHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113732
s1c2c(CCC2)c(C(=O)NC2CCCC2)c1NC(=O)CC(CC(=O)[O-])C	PC-id_74533709	377.478	BYLVRGWMDKNGMM-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-113733
s1c2c(CCC2)c(C(=O)NC2CCCC2)c1NC(=O)C[C@H](CC(=O)[O-])C	PC-id_27520726	377.478	BYLVRGWMDKNGMM-LLVKDONJSA-M	00000010100000000000000010000000000000000000000000000000	25-01-113734
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)CCCC(=O)[O-]	PC-id_27520725	377.478	ZXVOPYDBDLOPFL-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-113735
Cc1cccc(c1)CCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109542	377.479	DVMGXMBRNRTNAQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-113736
Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2n[nH]c3c2CCC3)cs1	ZINC22_548682149,EMOLS-id_316030138,MCULE-7896805271	377.479	YDSGQMBUUGLLDH-JSGCOSHPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113737
CCC(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccccc1	PC-id_92109406	377.479	MQKSFOJQQCUEBM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-113738
CC1CCc2c1c(I)nn2Cc1ccccc1C1CC1	MCULE-4317562760,EMOLS-id_330981117	378.251	DHCPPGJWLREOKU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-113880
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCCc1ccccc1	PC-id_92109408	377.479	QQTNCDQMXNQGOT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-113739
c1(NC(=O)C(C)Sc2ncccn2)sc2c(CCC2)c1C(=O)OCC	PC-id_4340995,EMOLS-id_5479879,MCULE-7945456798	377.481	VDGNJAPGTIKEAZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113740
c1(NC(=O)CSc2nccc(C)n2)sc2c(CCC2)c1C(=O)OCC	MCULE-3344810843,ZINC22_6741114,EMOLS-id_2548389,CoCoCo_1052209,TIMTEC596393,PC-id_6469712	377.481	ZKZDOOKQMXCENV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113741
CCCO[C@@H]1CC[C@@H](C[C@H]1NC(=O)CC)C(=O)NCc1nnc2CCCn12	MCULE-9420754124,ZINC22_1875245067,EMOLS-id_331136539	377.481	IRGYRYGSEGAINK-RRFJBIMHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113742
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ncccn2)sc2c1CCC2	CoCoCo_5021951,PC-id_7157585,ZINC22_4263107	377.481	VDGNJAPGTIKEAZ-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113743
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ncccn2)sc2c1CCC2	ZINC22_4263108,CoCoCo_5021952,PC-id_7157586	377.481	VDGNJAPGTIKEAZ-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-113744
Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2cccs2)c2CCCc12	MCULE-8234736786,EMOLS-id_50145274,PC-id_86266551	377.481	DINUSDYJIFVEFO-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-113745
CN(CC(CNC(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCO2)(C)C)C	EMOLS-id_177252182,MCULE-3916526968	377.481	QZLXXLPPJCIFEO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113746
COCc1nc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cs1	PC-id_71881307,ZINC22_65065834	377.481	OPUKDVVXAZGXGQ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-113747
COC(=O)c1c(NC(=O)CSc2nccn2C2CC2)sc2c1CCC2	MCULE-1614205089,PC-id_51111759,EMOLS-id_43426257,ZINC22_11892298	377.481	PDRPSGKXESAEMQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-113748
O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N2CCCC2)c1	EMOLS-id_3590551,PC-id_9318193,CoCoCo_4164257,ZINC22_8184618,MCULE-9836234623	377.481	CFTNYXGCIGWOAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113749
s1c2CCCc2cc1C(=O)NN=C(c1ccc(S(=O)(=O)NC)cc1)C	PC-id_85015407	377.481	WBWPZEASEXQSOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113750
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(S(=O)(=O)NC)cc1)/C	PC-id_9462278	377.481	WBWPZEASEXQSOL-ODLFYWEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113751
s1c2CCCc2cc1C(=O)NNC(=O)CC(NC(=O)C)c1sccc1	PC-id_51314318	377.481	UAUSZMJTWXNZMJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113752
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(C(=O)C2CC2)CC1)C(=O)N	PC-id_40881083	377.481	CXVBRRNIBCKANH-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-113753
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_26723105	377.481	CEIANLUVOGEOJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113754
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_41363967	377.481	ACSACFXAXWNKFW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-113755
CSc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_45970162,ZINC22_27021689	377.483	ZWEJPONLOWAOAI-XTPUDKEYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113756
CSc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_16779408	377.483	ZWEJPONLOWAOAI-AAMUTCKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113757
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)C=Cc1ccccc1	MCULE-1476520604	377.483	ZWEJPONLOWAOAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113758
O[C@@H]1CC(C[C@H]1NCc1nn2c(c1)CCC2)Cn1ccnc1c1ccccc1	MCULE-7384615402,EMOLS-id_323949285,PC-id_146112704	377.483	VFDAUEDFTVUSJH-FPDAJAHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113759
O[C@@H]1C[C@H](Cn2ccnc2c2ccccc2)C[C@H]1NCc1cc2n(n1)CCC2	ZINC22_1875399293	377.483	VFDAUEDFTVUSJH-MAODMQOUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113760
O[C@@H]1C[C@@H](Cn2ccnc2c2ccccc2)C[C@H]1NCc1cc2n(n1)CCC2	ZINC22_1875399294	377.483	VFDAUEDFTVUSJH-ZLGUVYLKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113761
O=C(NCc1n2CCCc2nn1)c1c(n(c(c1)C)c1cc(C(C)C)ccc1)C	PC-id_39296784	377.483	UVHJZYUCZCTCDH-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-113762
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)NC(=O)OC(C)(C)C	PC-id_111729341	377.484	LTLQUQHUZPFJSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113763
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC=C)c(nn1)C)C(=O)N	PC-id_8110695	377.484	YPLPKRKEMRZJDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113764
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)C)C(=O)N	PC-id_7426781	377.484	QFCFPGHNDPGRKD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-113765
s1c2c(CCC2)c(OCC(O)CNCCc2cc(OC)c(OC)cc2)c1	PC-id_3069910	377.498	BIVDQKSAGWGEFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113766
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5465682873,EMOLS-id_327908520	377.501	AQSDPZMLBCDSQY-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113767
Cn1nc(c2c1CCC2)CN(S(=O)(=O)C1CCCCC1)Cc1ccco1	PC-id_92109634	377.501	KSRWHADXUQFSEH-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-113768
s1c2CCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)C(C)(C)C	PC-id_28231404	377.501	ZLAJBTHEUHFKNL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113769
c1(NC(=O)c2ccc(cc2)c2ccccc2)c2CSCc2nn1C(C)(C)C	CoCoCo_4972665,Chemmine_40086,MCULE-8441949228,ZINC22_4077249,SCHEMBL4878792,EMOLS-id_5426253,PC-id_4073391	377.503	AEUKMAXTLWFOKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113770
c12SCCn1cc(CNC(=O)[C@@H]1C[C@@H](CN1C)NC(=O)C1CCCC1)n2	ZINC22_67787935,EMOLS-id_36451203,MCULE-5717461001,PC-id_56715470	377.504	CIVIYSLWFHGFLU-ZFWWWQNUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113771
Cc1nc(cn1C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110087	377.504	ZTXBRXJNTXHKKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113772
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1c(C)n[nH]c1C)C1CCCC1	PC-id_92110057	377.504	VJPVNCFIFHQVQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113773
O=C(N1CCC(CC1)N1CCCNC1=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005556	377.504	CJWVWPKNOMECLJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113774
O=C(NC1CC1)CN1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999979	377.504	MZNVULNZPVYQRO-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-113775
S1c2n(cc(n2)CNC(=O)C2N(CC(NC(=O)C3CCCC3)C2)C)CC1	PC-id_76405675	377.504	CIVIYSLWFHGFLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113776
N#Cc1c(NC(=O)CSc2nnc(NC3CC3)s2)sc2c1CCC2	ZINC22_7577457,MCULE-6751868072,CoCoCo_3896884,PC-id_8674531,EMOLS-id_11720681	377.507	LLIGJEHZMWIPKD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-113777
s1c2CCCc2c(c1NC(=O)CSc1sc(NCC=C)nn1)C#N	PC-id_7797426	377.507	PCFVNXCSRVRYFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113778
c1(C(=O)NCCc2ccc(c(OCC)c2)OCC)cc2c(CSC2)s1	EMOLS-id_16389435,PC-id_4057148,CoCoCo_2684436,MCULE-9868135990	377.521	FEFUWTRGKZNESO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113779
c1(NC(=O)c2csc(CCC)c2)sc2c(CCC2)c1C(=O)OCCC	ZINC22_2111398,PC-id_1766227,EMOLS-id_4055241,TIMTEC604770,SPECS-id_AK-968/41170026,CoCoCo_5809228,MCULE-3651894355	377.521	ZUMLYISMXTYFCL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113780
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC(CC1)N1CCCC1	EMOLS-id_328342929,MCULE-7850750902	377.522	GHHLWYOLDNLYEL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-113781
CC1OC(CN(C1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)c1ccsc1	EMOLS-id_102003846	377.524	JJQIOGXPNDFYKU-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-113782
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1sccc1C)C)C)C(=O)N	PC-id_51539934	377.524	SOOPWIYCHJDTRJ-LLVKDONJSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113783
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1sccc1C)C)C)C(=O)N	PC-id_51539936	377.524	SOOPWIYCHJDTRJ-NSHDSACASA-N	00000010100100000000000010000000000000000000000000000000	25-01-113784
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1sccc1C)C)C)C(=O)N	PC-id_51244147	377.524	SOOPWIYCHJDTRJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113785
CCC(C(N1CCOCC1)CNC(=NC)NCc1nnc2n1CCC2)CC	PC-id_111020599	377.527	OWGWJYOXIHQVJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113786
CCNC(=NCc1nnc2n1CCC2)NCC(N1CCOCC1)CC(C)C	PC-id_111020597	377.527	ONVPBZMAHDKOON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113787
O=C(N1CCCN(CC1)c1nccs1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001869	377.527	FDLZROBUPVROHP-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-113788
O=C(N1CCN(CC1)c1scc(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000057	377.527	KFPSHCBBLUAKNY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113789
O=C(N1CCN(CC1)Cc1cscn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000162	377.527	NXORJFWKSLQNTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113790
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)c1nccs1	EMOLS-id_102008859	377.527	IEHWXSIHAWYQFN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113791
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(oc(c2C1)[Si](C)(C)C)C(=O)C	PC-id_135036473	377.53	QBJPBTUSAFPZHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113792
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-8589350361,EMOLS-id_328000078,PC-id_19206930	377.541	NWOHMJHDTUHHAJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113793
CCCCCCCCS(=O)(=O)C1=NS(=O)(=O)c2c1c(C)sc2C	PC-id_118579472,SCHEMBL17339816	377.542	QEXAMOQTUCPPFJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-113794
CC1CCC(C(C1)C1CCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C)O	EMOLS-id_102008862	377.544	BEMPXZAPISNQAY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113795
O=C(N1CCC(CC1)OC1CCCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001893	377.544	CCBCOWLVZHFVKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113796
O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_100744008	377.544	LTSNCKVJBJAKST-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-113797
c1(NC(=O)CSc2scc(C(C)(C)C)n2)sc2c(CCC2)c1C#N	MCULE-3652872372,EMOLS-id_324918847	377.547	XRTGFBVESQNVPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113798
O=C(NC1CC(n2c1ncc2)C)NCC1(CCCCC1)N1CCSCC1	EMOLS-id_101418642	377.547	SKAITWRZHDDTBD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-113799
CCCCCCCCCCCCCCCCc1scc2c1C(=O)NC2=O	PC-id_141326084	377.584	MDMKRENVCKZCMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113800
CCCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)csc2	PC-id_117787883,SCHEMBL16356272	377.584	JAGXYEPUAHXWJF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113801
CCCCCCCCC(CCCCCC)CN1C(=O)c2cscc2C1=O	PC-id_89515208,SCHEMBL14881200	377.584	YEPZNGBDKUURIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113802
CCCCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16604932,PC-id_117982917	377.584	BONXACFFGWHDQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113803
CCCCCCCC[C@@H](CCCCCC)CN1C(=O)C(=O)c2sccc12	ZINC22_1776010965	377.584	LOZFYIWLUVNMBO-GOSISDBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113804
CCCCCCCC[C@H](CCCCCC)CN1C(=O)C(=O)c2sccc12	ZINC22_1776010966	377.584	LOZFYIWLUVNMBO-SFHVURJKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113805
CCCCCCCCN1C(=O)c2c(C1=O)c(sc2C(C)(C)C)C(C)(C)C	SCHEMBL17791426,PC-id_121370068	377.584	SQEHGWKPCNFKQM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113806
O=C1C(=O)c2sccc2N1CC(CCCCCCCC)CCCCCC	MCULE-6785199795,EMOLS-id_317447730	377.584	LOZFYIWLUVNMBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113807
CCC[C@H]1c2cn(cc2C(=O)[C@@H]1C(=O)OC)[Si](C(C)C)(C(C)C)C(C)C	PC-id_101426557	377.593	SHUHXYZIXUBDSP-QFBILLFUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113808
Clc1c(OCC(=O)Nc2sc3CCCc3n2)cc(Cl)c(Cl)c1	PC-id_26723115	377.673	UOTQKXKIVONDIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113809
Clc1ccc(c2oc(=O)n(n2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL5534629,PC-id_69479079	377.739	CWMPIFVVWWFCGL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113810
CCNC(c1sc(c(c1)Br)Cl)c1sc2c(n1)CCC2	PC-id_102842930	377.751	GIPXODVVDJKMNU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-113811
C1Cc2c(c(c(n2C1)C(=O)Nc1cc(c(cc1)F)C#N)Cl)C(C(=O)O)O	PC-id_134303014,SCHEMBL19920734	377.754	KPNHACGFZWQADK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113812
Clc1nc2SCCn2c1COC(=O)Nc1cc(ccc1)C(F)(F)F	PC-id_21811869	377.769	HBILZHXVRBBVRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113813
Clc1c(OCC(=O)Nc2sc3CCCc3c2C#N)ccc([N+](=O)[O-])c1	PC-id_7865866	377.802	NHPNSTYNSBSYRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113814
Clc1ccc(cc1)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_10091031,SCHEMBL5540325	377.825	FIYNYEBSXNUVMP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113815
Clc1ccc(cc1)N1CCN(CC1)C[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5542644,PC-id_10407273	377.825	FIYNYEBSXNUVMP-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113816
Clc1ccc(cc1)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5546323,PC-id_9976903	377.825	FIYNYEBSXNUVMP-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113817
Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101418798	377.844	UPNVCJHRAQUJNR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113818
Fc1cccc(Cl)c1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324831485	377.844	IZIYWWKVNCVSKA-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-113819
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)Cc1cccs1	MCULE-8049007293	377.844	IZIYWWKVNCVSKA-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-113820
c1(NC(=O)C(=O)NCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	ZINC22_9340796,EMOLS-id_4766729,STOCK6S-27043,MCULE-8318521389,PC-id_17588502	377.845	LVEOKYCPEABAQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113821
Clc1c(C(=O)NCC(=O)NNC(=O)c2sc3CCCc3c2)cccc1	EMOLS-id_24989115,PC-id_27684692,CoCoCo_3440013,MCULE-6995989146	377.845	SXIMPEWMVUJUER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113822
CS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960004	377.847	FNELFPKRXMIXIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113823
CCCCc1cc2n(c1C(=O)c1occc1Cl)CCC2C(=O)OC(C)C	SCHEMBL11660943,PC-id_20356113	377.862	VRORJMUCLNLWTB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113824
Clc1c(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)c(F)ccc1	PC-id_2699443	377.863	MKCIEBFXDCKHEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113825
Clc1sc(C2=NOC(C2)C(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_71939553,EMOLS-id_45639465,MCULE-5690893685	377.868	UZTHGUPUQMBCOU-UHFFFAOYSA-N	00000011100100000001100010000000000000000000000000000000	25-01-113826
N#Cc1c(NC(=O)[C@H]2CC(=NO2)c2ccc(Cl)s2)sc2c1CCC2	PC-id_97079038,ZINC22_89800120	377.868	UZTHGUPUQMBCOU-LLVKDONJSA-N	00000011100100000001100010000000000000000000000000000000	25-01-113827
N#Cc1c(NC(=O)[C@@H]2CC(=NO2)c2ccc(Cl)s2)sc2c1CCC2	ZINC22_89800119,PC-id_97079037	377.868	UZTHGUPUQMBCOU-NSHDSACASA-N	00000011100100000001100010000000000000000000000000000000	25-01-113828
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-7658500581,EMOLS-id_327943591,PC-id_19220872	377.885	YSPMAFOXDAEDDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113829
c1(NC(=O)CCc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_2072782,MCULE-2568158753,EMOLS-id_328029365	377.885	HCXHDUXMGBMGHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113830
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1cccc(Cl)c1	EMOLS-id_331239779	377.885	ZBIQXAJGNHXCKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113831
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccc(Cl)cc1	EMOLS-id_331240035	377.885	BECQWMPPYRBRFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113832
Clc1c(CCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_17178944	377.885	NVFOWRRSUYEFBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113833
Clc1c(C(=O)Nc2sc3c(C(CC3)(C)C)c2C(=O)OCC)cccc1	PC-id_71530915	377.885	TVMGYAYVAHDFHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113834
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(C1CCN1)O	PC-id_135200433,SCHEMBL20354020	377.888	QVIOYTWKSASZOZ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-113835
Clc1ccc([C@@H](NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_9336558	377.888	NDBPESVFAONZKI-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-113836
Clc1ccc([C@H](NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_9336562	377.888	NDBPESVFAONZKI-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113837
Clc1ccc(cn1)C1(CNC(=O)C2COc3ncsc23)CCCCC1	BindingDB-id_412959,PC-id_90303360,SCHEMBL15903451,BindingDB_PC-id_90303360	377.888	SEQAOMDPTYAIOC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-113838
Clc1ccc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_40710906	377.888	YGNNNBBOBLHIRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113839
Clc1ccc(C(NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_84983908	377.888	NDBPESVFAONZKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113840
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N(CC)CC)cc1	PC-id_16947333	377.888	NUHOVAYXCCMTFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113841
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCC(C)C)cc1	PC-id_16947361	377.888	HUADPBUMODCBCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113842
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NC(CC)C)cc1	PC-id_16947362	377.888	LVXOAXWAGCHRMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113843
Clc1cc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1	PC-id_9251430	377.888	LNWMDPGHIPEXOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113844
Clc1c([C@@H](NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_9307321	377.888	CSTIUWOCCLWWAI-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-113845
Clc1c([C@H](NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_9307323	377.888	CSTIUWOCCLWWAI-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113846
Clc1c(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_27222753	377.888	JFTSQBFHAPKTPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113847
Clc1c(C(NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_84975840	377.888	CSTIUWOCCLWWAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113848
c1(NC(=O)CC2CCN(CC2)c2ccc(nn2)Cl)sc2c(CCC2)n1	MCULE-3095214087,EMOLS-id_323459211	377.892	JMCQPNNJVCRAMW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-113849
O=C(CNC(=O)c1cc2c(s1)CCC2)Nc1ccccc1Br	PD104258,CHEMBL1464914,EMOLS-id_42763204,MCULE-1601407288,ZINC22_3417934,PC-id_2537029	378	PSMWDBRGBSTULZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113850
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1CC3=CC(=C(C=C3)Cl)Cl	PC-id_162123065	378.026	ZHQYJGZBVQZCDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113851
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1CC3=CC=C(C=C3)C(F)(F)F	PC-id_150063335	378.092	DNTDOULGJWJJDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113852
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1CC3=CC(=CC=C3)C(F)(F)F	PC-id_160837474	378.092	SHPAKXGLZGPOCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113853
C1C2=C(CN1C(=O)C3=CC=NC=C3)NN=C2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_165180353	378.108	MCPYYTSHTXONLU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113854
BrC(c1sc2c(CCC2)c1)c1sc(Br)cc1	PC-id_63444324	378.146	JKKMGMLGYUEGAN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113855
BrC(c1sc2c(CCC2)c1)c1sccc1Br	PC-id_80537341	378.146	JCPMHVTVMKSJFC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113856
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2[nH]ncc2Br)n1	PC-id_19590969,EMOLS-id_8867435,MCULE-3248070214,ZINC22_20607523,EMOLS-id_318437946	378.148	KBIDOSARNRGFRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113857
O=C(N=c1cc2n([nH]1)CCC2)c1nn(CC(F)(F)F)cc1Br	ZINC22_1857530872,PC-id_146104787,EMOLS-id_324034415,MCULE-3984719758	378.148	HHAZXZLQWXWWAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113858
Brc1c2n(CCC2(C(=O)O)C(=O)O)c(c1)C(=O)c1ccccc1	PC-id_20526392,SCHEMBL11008449	378.174	PIVIGDXJPGSBFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113859
CC1CCc2c1c(I)nn2Cc1cccc(c1)C1CC1	EMOLS-id_330980350,MCULE-9406156365	378.251	IVBAXDISWVTHMJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-113879
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2Cl)Cl)n1	TIMTEC528345,BAS-01939625,CoCoCo_224955,EMOLS-id_1359651,PC-id_1129735,ZINC22_869806,MCULE-5672557283	378.176	WNCAGSVAFPZSPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113860
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cccc(Cl)c2Cl)n1	BAS-01939627,ZINC22_869808,CoCoCo_224957,PC-id_1129737,MCULE-5260132361,EMOLS-id_1359655,TIMTEC275871	378.176	KXGYKXQNHVRVIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113861
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(c(Cl)c2)Cl)n1	EMOLS-id_1359647,ZINC22_869805,BAS-01939623,CoCoCo_224953,PC-id_1129734,TIMTEC120991,MCULE-9982377092	378.176	DGOPNJSGDYZQGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113862
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c(Cl)ccc(Cl)c2)n1	MCULE-9280926875,EMOLS-id_1359653,CoCoCo_224956,ZINC22_869807,TIMTEC382203,BAS-01939626,PC-id_1129736	378.176	PMBUDOLMKZYZDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113863
CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc2n(n1)CCO2	ZINC22_368269329,MCULE-5340667154,EMOLS-id_316148510	378.177	IEJIKWMAEFDAOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113864
CC1=C(N2CCCC2=C1C(=O)OC(C)(C)C)C(=O)C(=O)NC(C)(C)C(=O)O	PC-id_160141368	378.179	RDCSBUYFYPJMDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113865
CC1=C(C=C(C=C1)CN2CC3=C(C2(C)C)NN=C3NC(=O)C4=CC=CC=C4)F	PC-id_164624362	378.186	BAKADZYQPOZVMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113866
CC1=CC(=C(C=C1)F)CN2CC3=C(C2(C)C)NN=C3NC(=O)C4=CC=CC=C4	PC-id_164626301	378.186	XOPUFPSCLJMYTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113867
CC1=C(C=C(C=C1)F)CN2CC3=C(C2(C)C)NN=C3NC(=O)C4=CC=CC=C4	PC-id_165389127	378.186	LAHNEIDITQHHHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113868
CC(=O)[C@H]1CCN2C1=CC=C2C(=O)C3=CC=C(C=C3)CCOC(C)(C)C[N+]#[C-]	PC-id_148961138	378.194	ZIFKKIHDVBLUCH-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113869
C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)nn2c2ncccc2Cl)c2ncnn12	ZINC22_1875294079	378.216	MCTJRCZLWGQTME-PSASIEDQSA-N	00000010100000101001100010000000000000000000000000000000	25-01-113870
C[C@@H]1C[C@H](NC(=O)c2cc(Cl)nn2c2ncccc2Cl)c2ncnn12	ZINC22_1875294080	378.216	MCTJRCZLWGQTME-SCZZXKLOSA-N	00000010100000101001100010000000000000000000000000000000	25-01-113871
C[C@H]1C[C@@H](NC(=O)c2cc(Cl)nn2c2ncccc2Cl)c2ncnn12	ZINC22_1875294081	378.216	MCTJRCZLWGQTME-WCBMZHEXSA-N	00000010100000101001100010000000000000000000000000000000	25-01-113872
C[C@H]1C[C@H](NC(=O)c2cc(Cl)nn2c2ncccc2Cl)c2ncnn12	ZINC22_1875294082	378.216	MCTJRCZLWGQTME-WPRPVWTQSA-N	00000010100000101001100010000000000000000000000000000000	25-01-113873
Brc1cc(CC2CCc3n(c(cc23)C(=O)OC)C(=O)O)ccc1	PC-id_66873341,SCHEMBL1003698	378.217	GVPYHGYXJNKRGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113874
O=C(c1n[nH]c2c1CCC2)N[C@@H]1C[C@H](C1)c1ccc(c(c1)Br)F	EMOLS-id_100940130	378.239	JFCJTOZZCXVGFF-XYPYZODXSA-N	00001010100000110001100010000000000000000000000000000000	25-01-113875
CCOC(=O)c1c(Br)nn2c1N(CC2)C(=O)OC(S)(C)C	PC-id_145296788	378.242	ZNCQBUAWBWMOBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113876
Brc1cccn(CC(=O)Nc2sc3CCCc3c2C#N)c1=O	MCULE-6776124122,EMOLS-id_327717180	378.244	FFBUWUWPYXMNDD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113877
Brc1ccc(=O)n(CC(=O)Nc2sc3CCCc3c2C#N)c1	PC-id_84311969,EMOLS-id_180180930,MCULE-6636192831	378.244	BMUKMMWQZNEMPV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113878
CC1CCc2nn(Cc3ccccc3C3CC3)c(I)c12	EMOLS-id_330961082,MCULE-9824069122	378.251	POQNBQAIPJCFMN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-113881
CC1CCc2nn(Cc3cccc(c3)C3CC3)c(I)c12	MCULE-6352399668,EMOLS-id_330964410	378.251	IQTSDTNOLNHIGP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-113882
c12CN(Cc1nn(CC(C)C)c2Br)C(=O)OCc1ccccc1	EMOLS-id_324340334,MCULE-3695119928	378.264	SGIIABONYQBUPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113883
CC(C)(C)OC(=O)N1Cc2c(Br)nn(Cc3ccccc3)c2C1	MCULE-4515693290,EMOLS-id_316171105,SCHEMBL19358417	378.264	QHCODKUDBIIUIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113884
COc1ccc(CCC(=O)Nc2c3c(nn2C)CCC3)cc1Br	EMOLS-id_32092624,PC-id_47074155,MCULE-7577733146,ZINC22_48310175	378.264	GHIGHRYWUSNBBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113885
NCc1oc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Br	PC-id_106053348	378.265	WMCVXHNIURLRNZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113886
Brc1ccc(cc1)C(C(=O)NC(c1nnc2n1CCC2)C)(N)C	PC-id_121794907,MCULE-2799933434,EMOLS-id_302854733	378.267	VKHAEKFUMKHSGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113887
Cc1c(c(ccc1)Br)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC	PC-id_134426769,SCHEMBL20060379	378.267	RNIHLXLGCBBQER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113888
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(COC1)C(F)(F)F)F)C(=O)O	SCHEMBL20238972,PC-id_134586639	378.276	AETMBPPBYQOLOH-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-113889
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(COC1)C(F)(F)F)F)C(=O)O	SCHEMBL20238971,PC-id_134586638	378.276	AETMBPPBYQOLOH-SSDOTTSWSA-N	00001010100000000000000010000000000000000000000000000000	25-01-113890
COC(=O)C1CCn2c1cc(c2C(=S)c1ccc(cc1)C)Br	SCHEMBL11264309	378.283	WWHLLRQLKGGWHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113891
CCC(CC)c1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324850924	378.287	SBFWDQOLVSAZHI-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-113892
CCC(CC)c1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324849903	378.287	FBMCWIHHPNQLOZ-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-113893
n12c(=O)c(=Cc3ccc(cc3)Br)sc1nc(C(CC)CC)n2	MCULE-3578969640	378.287	SBFWDQOLVSAZHI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113894
n12c(=O)c(=Cc3ccccc3Br)sc1nc(C(CC)CC)n2	MCULE-7700941474	378.287	FBMCWIHHPNQLOZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113895
C1C(C(=O)c2c1scc2)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86699216,SCHEMBL15312225	378.289	IYXHHVUVJLCBOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113896
O=C1N(CCN2CCCC2)Cc2c1ccn2Cc1ccc(c(c1)Cl)Cl	PC-id_142600936	378.296	VYLUWYOFBVOCPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113897
Clc1c(S(=O)(=O)NCCc2nc3SCCn3c2)cc(Cl)cc1	PC-id_7640546	378.297	BDYXFZDHLDHDBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113898
CCNc1nc(ncc1C(F)(F)F)Nc1cnn2c1CC(C2)OC(F)F	SCHEMBL19729844	378.301	MZMNDZPWMBSJOQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113899
Brc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)scc1	PC-id_61456370	378.328	PDGILQYCCBLGAU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113900
Brc1sc(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1	PC-id_61392290	378.328	LTASSIACAUNOAF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113901
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2CC(F)(F)F)OC(C)C	SCHEMBL17214053,PC-id_118479206	378.348	PZACVCBFZHMEBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113902
O(C(=O)c1c(n(nc1)c1ncccn1)N/N=C/1c2n(N=C1C=C)nc(n2)C)C	PC-id_58113654	378.348	AHQIVHANPUTMPE-MTJSOVHGSA-N	00000011100000100001100010000000000000000000000000000000	25-01-113903
c12NC(=O)C(CC(=O)Nc3ccc(cc3OC)N(=O)=O)n1nc(SC)n2	MCULE-5457039697,PC-id_135994077	378.363	OWKFSLYKXMUTGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113904
O=C(Nc1ccc(c2csc(C(F)(F)F)n2)cc1)c1n[nH]c2c1CCC2	PC-id_100630312,EMOLS-id_53819223,MCULE-5252603991,ZINC22_225432900	378.372	RQYHFKVLMAPCKE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113905
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)Cc1c(F)cccc1F	SCHEMBL1984875,PC-id_67237405	378.373	QOEHXXXKWSSYAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113906
FC(F)Oc1c(OCC)cc(/C=C/C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52371672	378.373	BAFNGWKWHFMDRA-SOFGYWHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113907
FC(F)Oc1c(OCC)cc(C=CC(=O)NCc2n3CCCc3nn2)cc1	PC-id_75835045	378.373	BAFNGWKWHFMDRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113908
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc([N+](=O)[O-])c(F)cc1)C	PC-id_45637948	378.375	ZPYBWEDSFVTFDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113909
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1)C	PC-id_7291935	378.375	ZPYBWEDSFVTFDK-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-113910
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1)C	PC-id_7291936	378.375	ZPYBWEDSFVTFDK-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113911
COc1cccc(c1)CNC(=O)c1oc2c(n1)CN(C2)C(=O)c1cccnc1	PC-id_97442831	378.381	JORYGMOASNZACF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113912
O=C(NCc1n2CCCc2nn1)c1cc([N+](=O)[O-])c(Nc2ccccc2)cc1	PC-id_30094297	378.385	STJURYKAOMIBEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113913
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCN(c3ccccc3)CC2)n1	CHEMBL1528017,BAS-01939651,MCULE-8586314909,EMOLS-id_1359697,ChEMBL-DNDi_CHEMBL1528017,ZINC22_869820,PC-id_656034,CoCoCo_224977	378.391	LIAUZCMUYFSFAZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113914
Cn1c2c(CNC2)c(n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86267717,SCHEMBL20695300	378.391	QRIUQWBFMMCHOY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113915
CN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268144,SCHEMBL17505236	378.391	AWCZQPZPCMMBAL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113916
O=C(C1(CCC1)c1ccc(cc1)C(F)(F)F)NC(c1nnc2n1CCC2)C	EMOLS-id_318230937	378.391	DUTSMGNIRAKYHT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-113917
O=C(NCc1nnc2n1CCC2)C1(c2cccc(C(F)(F)F)c2)CCCC1	PC-id_71898576,MCULE-1104770736,EMOLS-id_44524458,ZINC22_44225426	378.391	DPLPGOOPIRWTCD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113918
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(cccc1C(=O)O)F	MCULE-2403442520,EMOLS-id_328222320	378.396	VNZPMSUIYZSXBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113919
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(F)cc1C(=O)O	MCULE-6281035776,EMOLS-id_328223344	378.396	UGQXZBKKZOJKDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-113920
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cccc(c1)NC(=O)C	PC-id_56738858,EMOLS-id_36564697,ZINC22_67434600,MCULE-8653464113	378.4	WIEPSLXGLGHXQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113921
Fc1ccc(cc1)Oc1ccc(cc1)CNC(=O)c1c(C)nc2n1N=C(C2)C	PC-id_118264347,SCHEMBL16945333	378.4	BPIIETYTNHLBFM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-113922
O=C(Cc1ccccc1)Nc1cc(NC(=O)c2n[nH]c3c2CCC3)ccc1F	ZINC22_127671761	378.4	TVRGHDLQZZMQLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113923
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1onc(c1)C)C(=O)OCC	PC-id_7737633	378.4	LJFAAIAFJCFALA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113924
OCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C)F	SCHEMBL16624982,PC-id_117999661	378.401	GRVCBZBUHCTHTJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113925
c1(CC(=O)Nc2sc3c(C(CC3)C(=O)OCC)n2)c(C)[nH]c(=O)[nH]c1=O	PC-id_45503100,EMOLS-id_28216243,MCULE-4048719609	378.403	DXHYAUNMKZXXPR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113926
c1(NC(=O)c2cccc(c2)N(=O)=O)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_2666486,MCULE-5162432225,ChEMBL-DNDi_CHEMBLF0541-0041,EMOLS-id_24429795,PC-id_5161094	378.403	ZEGBMGAEHZVLGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113927
c1(NC(=O)c2ccccc2N(=O)=O)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-1683751818,PC-id_5165078,CoCoCo_4982162,ChEMBL-DNDi_CHEMBLF0541-0040,EMOLS-id_30103820,ZINC22_4088601	378.403	BCWNFDINXCNBHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113928
c1(NC(=O)c2ccc(cc2)N(=O)=O)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_4619162,EMOLS-id_24429797,CoCoCo_2666487,MCULE-6455490846,CHEMBL1306747,ChEMBL-DNDi_CHEMBL1306747	378.403	HEDYUXILXUMZSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113929
c1(NC(=O)CCCn2ncc(N(=O)=O)c2)sc2c(CCC2)c1C(=O)OC	TIMTEC295191,PC-id_4917482,MCULE-4115677517,CoCoCo_1980512,EMOLS-id_6805498,ZINC22_4689619	378.403	LSYBKMBKROHJPT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113930
c1(N(=O)=O)cc(n(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)n1)C	PC-id_1111079,TIMTEC543173,MCULE-9708832001,CoCoCo_153812,ZINC22_845093,BAS-00924100,EMOLS-id_1293895,SPECS-id_AK-968/11843085	378.403	XDUBVZHETJMZFQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113931
CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)nc12	ZINC22_36708418,CoCoCo_5284284,PC-id_51868187	378.403	DXHYAUNMKZXXPR-MRVPVSSYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113932
CCOC(=O)[C@H]1CCc2sc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)nc12	ZINC22_36708419,PC-id_51868188,CoCoCo_5284285	378.403	DXHYAUNMKZXXPR-QMMMGPOBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-113933
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(noc1N)C)C)C(=O)N	PC-id_52568821	378.403	JSWGYHKPKURVBS-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113934
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(noc1N)C)C)C(=O)N	PC-id_52568822	378.403	JSWGYHKPKURVBS-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113935
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(C(C)C)C(=O)C1=O)C(=O)N	PC-id_38897013	378.403	KUQPNRUWPBJRQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113936
s1c2c(CCC2)c(c1NC(=O)Cn1nc(c([N+](=O)[O-])c1C)C)C(=O)OC	PC-id_45621140	378.403	HZUINOKCXXNRAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113937
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(noc1N)C)C)C(=O)N	PC-id_75871294	378.403	JSWGYHKPKURVBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113938
S1Cc2c(nn(c2NC(=O)C(=O)OCC)CC(=O)NCc2occc2)C1	PC-id_44053331	378.403	OQWRYIWXPVRETF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-113939
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)OC(F)F)C	PC-id_111287991	378.42	OHQNKNGQIGWKPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113960
C1Cc2c(C1)sc(c2C#N)/N=C/c1c(n(c(=O)[nH]c1=O)c1ccccc1)O	PC-id_135459523	378.404	GSCWOYYDXSQLTL-UFFVCSGVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113940
c1(NC(=O)c2c(O)cc(=O)n(c3ccccc3)n2)sc2c(CCC2)c1C#N	EMOLS-id_322821674,MCULE-7297525759	378.404	ZGTPKQNPKRYQNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113941
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCc1ccccc1	MCULE-2711410670	378.404	RBCZUNOUJMGJFW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113942
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCc1ccccc1	MCULE-6825581975	378.404	QXLMZWXAQNMUAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113943
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCc1ccccc1	MCULE-7128237900	378.404	NAONSMKDGFFTRR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113944
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccccc1)c2=O	MCULE-1664556427	378.404	CMLVIIIQIPMEOM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113945
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccccc1)c2=O	MCULE-2182524811	378.404	IIAXDJWSPCWWOB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113946
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccccc1)c2=O	MCULE-5596966764	378.404	AGNDHMVEOQJTDR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113947
N1(c2ccccc2)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=NC1=O)O	MCULE-1641454065,PC-id_6754906	378.404	AXXOTEAXQTVMSE-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-113948
N#Cc1c(N/C=C/2C(=NC(=O)N(C2=O)c2ccccc2)O)sc2c1CCC2	CoCoCo_5821012	378.404	AXXOTEAXQTVMSE-GXDHUFHOSA-N	00000010100011110001100010000000000000000000000000000000	25-01-113949
N#Cc1c(N/C=C/C(=O)NC(=O)N(c3ccccc3)C2=O)sc2c1CCC2	CoCoCo_5821011,SPECS-id_AG-690/12949024,EMOLS-id_8836179,ZINC22_5648019,TIMTEC66324,PC-id_5457066	378.404	AXXOTEAXQTVMSE-UVTDQMKNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-113950
O=C(COc1ccccc1/C=c/1sc2ncnn2c1=O)Nc1ccccc1	PC-id_117588374,ZINC22_256055274	378.404	AGNDHMVEOQJTDR-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113951
O=C(COc1ccc(/C=c/2sc3ncnn3c2=O)cc1)Nc1ccccc1	ZINC22_256055339,PC-id_117588459	378.404	CMLVIIIQIPMEOM-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113952
O=C(COc1cccc(/C=c/2sc3ncnn3c2=O)c1)Nc1ccccc1	ZINC22_256055486,PC-id_117588430	378.404	IIAXDJWSPCWWOB-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113953
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324838142	378.404	QXLMZWXAQNMUAG-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113954
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324840693	378.404	RBCZUNOUJMGJFW-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113955
[O-][N+](=O)c1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324837627	378.404	NAONSMKDGFFTRR-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-113956
CCOC1=Nn2c(C1(N)Nc1c(O)nc3n1[nH]c(c3)SCC)nc(c2)O	SCHEMBL7671963,PC-id_70158976	378.41	JNZXNAZSLLXYOH-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-113957
s1c2c(CCC2)c(c1NC(=O)CN(CCC(F)(F)F)C)C(=O)OCC	PC-id_56070160	378.41	ANNYUPMVWYTVIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-113958
CCNC(=NCc1cc(C)ccc1OC(F)F)NCc1nnc2n1CCC2	PC-id_109661001	378.42	LFCAZYUKPGUURJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113959
COC(=O)C1(CC(=O)OC(C)(C)C)C=c2c(=C1)ncn2C(=O)OC(C)(C)C	SCHEMBL8902616,PC-id_23358987	378.42	UVCOYDYXHDQKHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-113961
c12CN(Cc1n(nc2C(=O)NC1CC1)C)S(=O)(=O)c1ccc(c(C)c1)F	MCULE-2120032430,EMOLS-id_207862881	378.421	MQPXRMSWDULBPK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-113962
c1(NC(=O)c2cccc(F)c2)c2CSCc2nn1CC(=O)NCCOC	CoCoCo_5277551,ZINC22_23138903,MCULE-6520242790,EMOLS-id_24913237,PC-id_30862226	378.421	AESMUJHNMYNMJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113963
Fc1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100175846	378.421	UGEQHDBXIYMGSI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113964
Fc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100177952	378.421	GZZBYKULJBRDMJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113965
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110529294	378.421	UAONBLPQFDMGBN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-113966
S1Cc2c(nn(c2NC(=O)c2ccc(F)cc2)CC(=O)NCCOC)C1	PC-id_44052945	378.421	DZZRCCXTUYFDCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113967
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2)CC(=O)NCCOC)C1	PC-id_44052944	378.421	NVDIRPVFULYMAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113968
S1Cc2c(nn(c2NC(=O)COC)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053614	378.421	TYDXTELKHDXJKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113969
S1Cc2c(nn(c2NC(=O)OCC)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053753	378.421	HMKLPKREEUWAJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113970
c1(NC(=O)c2cnc(nc2C)c2ccccc2F)sc2c(CCC2)c1C#N	EMOLS-id_322820904,MCULE-2474352867	378.423	LDHGGURMPKNRMJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-113971
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1oc(C(=O)O)cc1	MCULE-3700960520,PC-id_123122644	378.423	UYDCMKASANBKLH-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-113972
CO[C@H]1C[C@H](CC[C@@H]1NC(=O)c1n[nH]c2CCCc12)C(=O)NCC(=O)OC	ZINC22_2356144177,EMOLS-id_337828633	378.423	LWCFKIBCOAKBPL-BPNCWPANSA-N	00000010100010000001000010000000000000000000000000000000	25-01-113973
s1c2c(CCC2)c(c1NC(=O)C=Cc1sc([N+](=O)[O-])cc1)C(=O)OC	PC-id_4617061	378.423	CJVXPADSCICYKP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-113974
s1c2S/C(=C/c3ccc(N(O)[O-])cc3)/C(=O)[n+]2c(c1C(=O)OCC)C	PC-id_21159393	378.423	NOLCYLGXFHAAND-XYOKQWHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113975
s1c2SC(=Cc3ccc(N(O)[O-])cc3)C(=O)[n+]2c(c1C(=O)OCC)C	PC-id_73746438	378.423	NOLCYLGXFHAAND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113976
c1(C(=O)NCc2c3CCCc3[nH]n2)n(C)ccc(=O)c1OCc1ccccc1	MCULE-9962837487,ZINC22_1940197218,EMOLS-id_336523956	378.424	ZTEOPIURCBMWRC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-113977
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cc(oc1C)C	EMOLS-id_316318006,MCULE-6260156408	378.424	CXRZOIUIVFDBNF-INIZCTEOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-113978
CC1Cc2c(C1)[nH]nc2C(=O)Nc1cccc(c1)C#C[C@]1(O)CCN(C1=O)C	PC-id_122508545,SCHEMBL18039433	378.424	IJQXGBJFBPMWRI-KCSFHACMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113979
Cc1ccc(Oc2ccc(OCC(=O)NCc3nnc4n3CCC4)cc2)cc1	MCULE-3059502397,ZINC22_24833328,CoCoCo_4631879,PC-id_32150321,EMOLS-id_18850203	378.424	DVUGRCWLNGUTEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113980
Cc1oc(c(c1)C(=O)NC1Cn2c(C1)c(cn2)C(=O)NCc1ccccc1)C	MCULE-4509281166	378.424	CXRZOIUIVFDBNF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-113981
CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1	SCHEMBL2924944,PC-id_10156505,BindingDB-id_21830,BindingDB_PC-id_10156505,CHEMBL191816	378.424	YSYZWVWSPCLBNZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-113982
C[C@@H]1Cc2c(C1)[nH]nc2C(=O)Nc1cccc(c1)C#C[C@]1(O)CCN(C1=O)C	PC-id_122508497,SCHEMBL18039384	378.424	IJQXGBJFBPMWRI-ASSNKEHSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113983
C[C@H]1Cc2c(C1)[nH]nc2C(=O)Nc1cccc(c1)C#C[C@]1(O)CCN(C1=O)C	PC-id_122508516,SCHEMBL18039404	378.424	IJQXGBJFBPMWRI-ZSEKCTLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113984
CCOC(=O)c1cn[nH]c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9506611419,EMOLS-id_328221054	378.424	YYSKWLDIIRQQAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113985
CN1CC[C@@](C1=O)(O)C#Cc1cccc(c1)NC(=O)c1n[nH]c2c1[C@H](C)CC2	PC-id_122508471,SCHEMBL18039352	378.424	QIDTWVCZSUPEBO-ASSNKEHSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113986
CN1CC[C@@](C1=O)(O)C#Cc1cccc(c1)NC(=O)c1n[nH]c2c1[C@@H](C)CC2	SCHEMBL18039317,PC-id_122508437	378.424	QIDTWVCZSUPEBO-ZSEKCTLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113987
COc1ccc(c(c1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1)OC	PC-id_68442464,SCHEMBL2923587	378.424	HSTIPGHXFNJZGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113988
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1)OC	SCHEMBL2923266,PC-id_68442332	378.424	PUEOXFYCZFHYPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113989
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	PC-id_68441650,SCHEMBL2921593	378.424	KDHLHEWBDLFGLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113990
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2919134,PC-id_68440835	378.424	ANEXYHXNQFSGGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113991
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(Cc1c[nH]cn1)C(=O)O	MCULE-9529602986,EMOLS-id_328214905	378.424	IGHADCPVJKORQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113992
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1cocc1	PC-id_10270997,SCHEMBL2915730	378.424	NZGYZFLPSPDOJA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-113993
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1ccc(nc1)[N+](=O)[O-]	PC-id_46893675,SCHEMBL3394598	378.426	FLVNXLYKXNRMQX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113994
s1c2c(CCC2)c(c1NC(=S)Nc1ncc([N+](=O)[O-])cc1)C(=O)OC	PC-id_19686451	378.426	NYECIFDCADGIJH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-113995
c1(cc(nn1C)C)C(=O)NC1Cc2n(ncc2C(=O)NCc2ccccc2)C1	MCULE-4648735392	378.428	VNKVYGVCLXMYLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113996
c1(cc(nn1C)C)C(=O)N[C@H]1Cc2n(ncc2C(=O)NCc2ccccc2)C1	EMOLS-id_316319033,MCULE-5372140839	378.428	VNKVYGVCLXMYLK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113997
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccnn2CC)n1	MCULE-6595365888	378.428	RZIGCWQXWFTOQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113998
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccnn2CC)n1	MCULE-5737148691,EMOLS-id_316332339	378.428	RZIGCWQXWFTOQI-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-113999
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)CCn3cccn3)C2)n1	EMOLS-id_316333873,MCULE-8011746606	378.428	LGXXRYGRPUBRKO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114000
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)CCn3ccnc3)C2)n1	EMOLS-id_316332338,MCULE-1953259176	378.428	VYWHOMCYWDBFCW-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114001
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cn3ccc(C)n3)C2)n1	EMOLS-id_316330290,MCULE-7540166677	378.428	LZNXANDTBQXYQI-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114002
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)CCn3cccn3)C2)n1	MCULE-5272474872	378.428	LGXXRYGRPUBRKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114003
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)CCn3ccnc3)C2)n1	MCULE-1875927768	378.428	VYWHOMCYWDBFCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114004
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)Cn3ccc(C)n3)C2)n1	MCULE-8977746128	378.428	LZNXANDTBQXYQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114005
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cc(n(C)n1)C	MCULE-8905175880	378.428	WYOQHSSVZZGCQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114006
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cn(nc1C)C	MCULE-7007640509	378.428	JKXTUABFQUCAGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114007
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cnn(CC)c1	MCULE-8196279960	378.428	ASHMTUXXDDLUMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114008
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccn(CC)n1	EMOLS-id_316338011,MCULE-4633381096	378.428	XPJATAFWOVNIKQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114009
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cc(n(C)n1)C	EMOLS-id_316321079,MCULE-2373284450	378.428	WYOQHSSVZZGCQW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114010
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cn(nc1C)C	EMOLS-id_316321080,MCULE-4493678874	378.428	JKXTUABFQUCAGO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114011
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cnn(CC)c1	MCULE-4143125332,EMOLS-id_316320055	378.428	ASHMTUXXDDLUMJ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114012
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cn3cc(cn3)C)Cc12	EMOLS-id_316320056,MCULE-3615550670	378.428	JYSYWVZCFBMNJO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114013
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cn3ccnc3C)Cc12	EMOLS-id_316319544,MCULE-7549256393	378.428	SRGWCBDARAHUOL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114014
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cn3cc(cn3)C)Cc12	MCULE-2693494397	378.428	JYSYWVZCFBMNJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114015
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cn3ccnc3C)Cc12	MCULE-1661677914	378.428	SRGWCBDARAHUOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114016
Cc1ccc(Oc2ccc(NC(=O)NCc3nnc4n3CCC4)cn2)cc1C	EMOLS-id_31982840,PC-id_51116663,ZINC22_48413116,MCULE-4077111431	378.428	GECQZNULNHOKOU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114017
CCc1cccc(Oc2ccc(NC(=O)NCc3nnc4n3CCC4)cn2)c1	MCULE-2874095484,ZINC22_48388939,PC-id_51116649,EMOLS-id_31982398	378.428	UGFHWPNTDOQNOG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114018
CCn1ccc(n1)C(=O)NC1Cn2c(C1)c(cn2)C(=O)NCc1ccccc1	MCULE-5796729434	378.428	XPJATAFWOVNIKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114019
COc1cc(c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)c(=N)[nH]c1C	ZINC22_2356166409,MCULE-4979208173,EMOLS-id_337828723	378.428	WJIXCNRGOOOZNO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-114020
n12CCCc1nnc2CNC(=O)Nc1ccccc1OCCc1ccccn1	PC-id_72858624,EMOLS-id_49149341,ZINC22_96137459,MCULE-7506432366	378.428	NYXLBJXJBYWAKE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114021
n1c(CNC(=O)c2cccc(c2)c2ncnc(NCCO)c2)c2c(CCC2)[nH]1	PC-id_121508113,ZINC22_426593623,MCULE-5228551011,EMOLS-id_177467404	378.428	HHJQWFFZFGXCSR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114022
N/C=CC(=C/N)\n1nc2c(c1)CN(C2)C(=O)c1cc(C#N)ccc1OC(C)C	PC-id_144952310	378.428	HPDDXDHETKECTQ-CCKMTBCVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114023
O=C(c1cc2n(n1)CCC2)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1	ZINC22_296960563	378.428	HRZBARZOKTXOLP-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114024
O=C(c1cc2n(n1)CCC2)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1	ZINC22_296960565	378.428	HRZBARZOKTXOLP-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114025
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1n[nH]cc1	PC-id_68967168,SCHEMBL4232702	378.428	LSDQDFMMWKSGJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114026
O=C(N1CCOCC1c1ncn(n1)Cc1ccccc1)c1nn2c(c1)CCC2	EMOLS-id_316155947,MCULE-3154295751	378.428	HRZBARZOKTXOLP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114027
O=C(NCc1n2CCCc2nn1)c1c(Nc2ccc(OCC)cc2)nccc1	PC-id_52375806	378.428	ARWWRVHYCFSXBK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114028
S(c1nn2C(CC(=O)Nc3ccccc3)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_75668272	378.428	HPOODQGRBZPAOE-UHFFFAOYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-114029
S(c1nn2[C@H](CC(=O)Nc3ccccc3)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_51527788	378.428	HPOODQGRBZPAOE-OAHLLOKOSA-M	00000011100000110001000010000000000000000000000000000000	25-01-114030
S(c1nn2[C@@H](CC(=O)Nc3ccccc3)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_51527789	378.428	HPOODQGRBZPAOE-HNNXBMFYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-114031
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)Cc1nnnn1c1ccccc1	EMOLS-id_98753284	378.431	RVXBUXXBUMVPER-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114032
CC(c1nn2c(c1)CCC2)N[C@@H]1CN(C[C@H]1c1ccccc1)CC(F)(F)F	EMOLS-id_319214785	378.435	KOHWXQZDBACJGA-DEGSQWPTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114033
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(F)cccc1)C(=O)OC	PC-id_4950361	378.441	MRARJUQLPRLNHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114034
c1(NC(=O)COCCOC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4354540416,EMOLS-id_334343844	378.443	QUPLPKHLTFDLFN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-114035
CCOC(=O)Cc1csc2[n+]1C(=O)/C(=C/c1cccc(OC)c1O)/S2	ZINC22_1636078,CoCoCo_5721723,PC-id_376573,CoCoCo_5721722	378.443	FEBZFDALVFQMSR-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-114036
NC(=O)c1c(NC(=O)COC(=O)CCCC(=O)C2CC2)sc2c1CCC2	MCULE-6429974225,ZINC22_838152424,EMOLS-id_320389214,PC-id_145897506	378.443	ICLFHBWTIKYRCO-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-114037
s1c2CCCc2cc1C(=O)OCC1=C([C@H](NC(=O)N1)CC)C(=O)OCC	PC-id_7623812	378.443	AMJYCQQYEWMEOT-LLVKDONJSA-N	00000010100011000001000010000000000000000000000000000000	25-01-114038
s1c2CCCc2cc1C(=O)OCC1=C([C@@H](NC(=O)N1)CC)C(=O)OCC	PC-id_7623814	378.443	AMJYCQQYEWMEOT-NSHDSACASA-N	00000010100011000001000010000000000000000000000000000000	25-01-114039
s1c2CCCc2cc1C(=O)OCC1=C(C(NC(=O)N1)CC)C(=O)OCC	PC-id_78514087	378.443	AMJYCQQYEWMEOT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-114040
S1Cc2c(noc2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)C1	PC-id_49719043	378.443	CEGNDAYPZWCSRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114041
c1(NC(=O)C=Cc2ccc(c3ccccc3)o2)sc2c(CCC2)c1C(=O)N	MCULE-1724879635,PC-id_72144272	378.444	VJBAMGMEKYTLQF-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-114042
COc1ccc(cc1)NC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1	PC-id_97524481	378.444	ABHNFRLRCRMKPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114043
NC(=O)c1c2c(CCC2)sc1NC(=O)c1cc(Oc2ccccc2)ccc1	EMOLS-id_3436033,ZINC22_947859,SCHEMBL8290928,MCULE-2224687423,CoCoCo_3218609,PC-id_1186313	378.444	QGBPKAGQAFJPAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114044
NC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCC2	PC-id_1548496,SCHEMBL8290923,ZINC22_1514847,EMOLS-id_43812104,MCULE-2820378343,CoCoCo_3218594	378.444	QTNVNFIUEHUAOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114045
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3ccccc3)o2)sc2c1CCC2	EMOLS-id_27023358,ZINC22_20807934,CoCoCo_1890480,ChemDIV7833-2182,PC-id_17274917	378.444	VJBAMGMEKYTLQF-ZRDIBKRKSA-N	00000010101000110000100010000000000000000000000000000000	25-01-114046
O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2c(s1)CCC2	CoCoCo_4164096,MCULE-1429368978,EMOLS-id_43971856,PC-id_9318155,ZINC22_8184587	378.444	ZTZZILNRNOLZHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114047
O=C(Nc1sc2c(c1C(=O)N)CCC2)/C=Cc1ccc(o1)c1ccccc1	CoCoCo_1890481	378.444	VJBAMGMEKYTLQF-BENRWUELSA-N	00000010101000110000100010000000000000000000000000000000	25-01-114048
O=C(Nc1sc2CCCc2c1C(=O)c1cccnc1)OCc1ccccc1	EMOLS-id_331239786	378.444	PUCVEDFHZVSQNA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-114049
O=C(Nc1sc2CCCc2c1C(=O)c1ccncc1)OCc1ccccc1	EMOLS-id_331240042	378.444	BFIFQCDRFZXGTB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-114050
c1(C(=O)NCCOC)cc2n(C[C@@H](NS(=O)(=O)Cc3ccccc3)C2)n1	EMOLS-id_316330299,MCULE-7382624136	378.446	RHVBNHAXXSTUCW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114051
CCC1(CC)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	CHEMBL1532515,ZINC22_2619988,PC-id_2081875,EMOLS-id_3247989,CoCoCo_3156524,BindingDB_PC-id_2081875,BindingDB-id_75221	378.446	FECCIQFGKNBYBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114052
CC(CC1NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-1974143509,EMOLS-id_3291448,PC-id_3982927	378.446	XMRAMSXIGZTGHD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114053
CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	CoCoCo_3157785,ZINC22_3373272,PC-id_2491037	378.446	XMRAMSXIGZTGHD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-114054
CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_2491040,CoCoCo_3157784,ZINC22_3373275	378.446	XMRAMSXIGZTGHD-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114055
CC(N(S(=O)(=O)c1ccc(c(c1)NC(=O)c1nn2c(c1)OCC2)C)C)C	EMOLS-id_99565951	378.446	OKBVJCFEBWYNSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114056
CCOc1cc(cc(c1OCC)OCC)C(=O)Nc1nnc2n1CCS2	CoCoCo_2590492,PC-id_16031369,MCULE-3826490471,EMOLS-id_16349401	378.446	JMPHXAJZZQOZOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114057
s1c2CCCc2cc1C(=O)NNC(=O)CN1C(=O)C(NC1=O)(CC)CC	PC-id_46571607	378.446	ZIWNIDMWNWBJLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114058
c12c(CCC1C(=O)NCc1ccccn1)sc(NC(=O)c1ccccc1)n2	MCULE-2366743864,EMOLS-id_12346187,PC-id_16947063	378.448	NPZIKOULTJRIAA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114059
c12c(CCC1C(=O)NCc1cccnc1)sc(NC(=O)c1ccccc1)n2	MCULE-4335091197,EMOLS-id_12346185,PC-id_16947062	378.448	ZANGKHDQQJGOTL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114060
c12c(CCC1C(=O)NCc1ccncc1)sc(NC(=O)c1ccccc1)n2	MCULE-6816489971,PC-id_16947147,EMOLS-id_12346355	378.448	UCQFOCMHARWFDR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114061
c1(NC(=O)c2cnn(c3ccc(cc3)OC)c2C)sc2c(CCC2)c1C#N	EMOLS-id_322818349,MCULE-1176522933	378.448	ZNGJXJQCARDACW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114062
Cc1cnc(CNC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)cn1	EMOLS-id_44303554,ZINC22_96146790,PC-id_97442317	378.448	XJUZZDCHJOXPGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114063
CN(C)c1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324840191	378.448	GIFHRUIURUJLKZ-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-114064
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)COc1ccccc1	MCULE-6838911734	378.448	GIFHRUIURUJLKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114065
O=C(c1sc2c(c1)N(CC2)C(=O)c1cccnc1)NCCc1ccncc1	PC-id_97524471	378.448	LCDOHHCKBLHPDH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114066
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccccn1)c1ccccc1	CoCoCo_5124692,ZINC22_8979661,PC-id_40894705	378.448	NPZIKOULTJRIAA-OAHLLOKOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114067
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccccn1)c1ccccc1	CoCoCo_5124693,ZINC22_8979660,PC-id_40894704	378.448	NPZIKOULTJRIAA-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114068
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1cccnc1)c1ccccc1	PC-id_40894703,CoCoCo_5124690,ZINC22_8979659	378.448	ZANGKHDQQJGOTL-OAHLLOKOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114069
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1cccnc1)c1ccccc1	ZINC22_8979658,PC-id_40894702,CoCoCo_5124691	378.448	ZANGKHDQQJGOTL-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114070
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccncc1)c1ccccc1	CoCoCo_5124730,ZINC22_8979667,PC-id_40894711	378.448	UCQFOCMHARWFDR-OAHLLOKOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114071
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccncc1)c1ccccc1	PC-id_40894710,CoCoCo_5124731,ZINC22_8979666	378.448	UCQFOCMHARWFDR-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114072
O=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1cccnc1	ZINC22_96146778,PC-id_97442305,EMOLS-id_44303530	378.448	USKXUNGDDYDFBZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114073
O=C(NCCc1cccnc1)c1cc2c(s1)CCN2C(=O)c1cccnc1	PC-id_97442300,ZINC22_96146773,EMOLS-id_44303520	378.448	NMILYEVKBHUBLU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114074
CN(C)S(=O)(=O)c1cccc(NC(=O)NCCc2nnc3n2CCC3)c1	ZINC22_72314271,PC-id_72104368,EMOLS-id_42926887,MCULE-3535768582	378.449	FXCJJAIXDJOLFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114075
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)S(=O)(=O)c1nc(n(c1)C)C	EMOLS-id_111614120	378.449	CRAHWVVVLOSRFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114076
S(=O)(=O)(NCCNC(=O)NCc1n2CCCc2nn1)c1ccc(cc1)C	PC-id_52303590	378.449	QSRORBCMJWBCQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114077
c1cc(c2nc(CNc3ccc(Cc4nnc5n4CCC5)cc3)no2)cs1	MCULE-6993772464,EMOLS-id_320393014,ZINC22_190427018	378.451	IUNKOIXCTOPLKX-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-114078
S1CCn2c1nc(NC(=O)c1cc(Cn3nc(cc3C)C)ccc1)c2C#N	PC-id_60323981	378.451	IJZSSFXKJVWJEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114079
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OCCC	PC-id_53450205	378.463	IBSWYWFRZRNCFM-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114080
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OC(C)C	PC-id_74696820	378.463	YWSCJWUUMPSIIH-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114081
s1c2c(CCC2)c(c1NC(=O)CC1(CCCCC1)C(=O)[O-])C(=O)OCC	PC-id_25742987	378.463	VCQHRBYMASQFDI-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114082
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCCC	PC-id_1758279	378.463	IBSWYWFRZRNCFM-NWDGAFQWSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114083
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCCC	PC-id_1758282	378.463	IBSWYWFRZRNCFM-VXGBXAGGSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114084
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCCC	PC-id_1758286	378.463	IBSWYWFRZRNCFM-RYUDHWBXSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114085
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCCC	PC-id_1758290	378.463	IBSWYWFRZRNCFM-NEPJUHHUSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114086
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC(C)C	PC-id_40559136	378.463	YWSCJWUUMPSIIH-NEPJUHHUSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114087
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC(C)C	PC-id_40559138	378.463	YWSCJWUUMPSIIH-VXGBXAGGSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114088
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC(C)C	PC-id_40559144	378.463	YWSCJWUUMPSIIH-RYUDHWBXSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114089
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC(C)C	PC-id_40559146	378.463	YWSCJWUUMPSIIH-NWDGAFQWSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114090
Cn1nc(CN2CCCCC2)c2c1CN(S(=O)(=O)c1cccc(F)c1)C2	ZINC22_96084521,PC-id_97405347,EMOLS-id_46182053	378.464	BQVYYWBZYMWELL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-114091
c1(NC(=O)c2ccc(cc2)CS(=O)(=O)C)sc2c(CCC2)c1C(=O)N	MCULE-7764253194,EMOLS-id_181348500,PC-id_84418754	378.466	WYIJWAOEWBFBKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114092
c1(NC(=O)c2ccc(cc2)S(=O)(=O)CC)sc2c(CCC2)c1C(=O)N	CoCoCo_2590311,PC-id_7579436,MCULE-8260034443,EMOLS-id_16349203	378.466	GCOMBFZFMBONNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114093
c1(NC(=O)c2cccc(c2)S(=O)(=O)CC)sc2c(CCC2)c1C(=O)N	EMOLS-id_22739011,CoCoCo_5157913,PC-id_7579047,MCULE-9427680612,ZINC22_5241352	378.466	WMDQGISDPCQSAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114094
c1(NC(=O)c2ccc(o2)CS(=O)(=O)C(C)C)sc2c(CCC2)c1C#N	MCULE-5941034800,EMOLS-id_322860265	378.466	CUUNDBAONHGYES-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-114095
c1(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-6388920666,CoCoCo_5057569,EMOLS-id_22708510,PC-id_7189658,ZINC22_4325519	378.466	XUDQMKQMSDOFDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114096
c1(NC(=O)CS(=O)(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_16824333,MCULE-9882108496,CoCoCo_5200361,ZINC22_10619062,EMOLS-id_12054021	378.466	SQRMHPSEWPMCCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114097
Cc1c(ccc(c1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C)OC	SCHEMBL14058392,PC-id_89239289	378.466	OWCCYNOUNJJBQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114098
CCOC(=O)c1c(NC(=O)CSc2cccc[n+]2[O-])sc2c1CCC2	ZINC22_6561819,PC-id_3969289,EMOLS-id_33328292	378.466	LBSFFDYTCJIQNA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114099
s1c2CCC(C(=O)NC3CCCCCC3)c2nc1NC(=O)c1ccccc1	PC-id_16947052	383.507	SKVMXZYBRQWGAP-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-116575
CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_7295157,CoCoCo_5157755	378.466	PLAJRMXEICFLEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114100
O=C(CC1(O)CCCN(C1)C(=O)OC(C)(C)C)Nc1n(C)nc2c1CCC2	EMOLS-id_258039084,MCULE-9924881117	378.466	QOIZRKWTXPGDER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114101
s1c2CCCc2cc1C(=O)NNC(=O)c1c(ccc(S(=O)(=O)C)c1)C	PC-id_26872584	378.466	ORBUPHFKHAKSEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114102
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(CS(=O)(=O)C)cc1	PC-id_27684364	378.466	TUCUFEGGHBTKNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114103
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(CS(=O)(=O)C)ccc1	PC-id_26281037	378.466	XRWQAEXNSBBWSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114104
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(sc(c1)C)C)C(=O)N	PC-id_7648405	378.466	AXMWKHNZNPHMBE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114105
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1sccc1)C(=O)N	PC-id_8530423	378.466	GMZQDEIIVHAIJF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114106
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1C[n+]2n(C1)c(cc2C)C	PC-id_85050398	378.466	JPZGTEHDKVKPBX-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-114107
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)O)C1C[n+]2n(C1)c(cc2C)C	PC-id_9842697	378.466	JPZGTEHDKVKPBX-HBJVGIJOSA-O	00001011100000000001001010000000000000000000000000000000	25-01-114108
c1(CN(C)C(=O)NCCC(c2ccccc2)c2ccco2)c2CCCc2[nH]n1	MCULE-6551814702,PC-id_121494413,EMOLS-id_177358591	378.467	YUNQOXMYGJCNRX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114109
C=C/C(=CC(=C/C)\n1nc(c2c1CC(C2)C)C(=O)N)/C#C[C@@H]1CCN(C1=O)C	PC-id_144793480	378.467	QMCPYOVDRZVQNM-YNDOKMBJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114110
C=CC(=O)N1CCC(C(=O)NCc2cnc3n2CCC3)(c2ccccc2)CC1	ZINC22_1595773690	378.467	KVZMKIYOIZUOSC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114111
CN(c1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109456	378.467	OZXKYZWHHZAGMH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114112
CN(c1cccc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109457	378.467	MQIDMTQACWYEJT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114113
CN(Cc1n[nH]c2c1CCC2)C(=O)NCC[C@@H](c1ccccc1)c1ccco1	ZINC22_426361470	378.467	YUNQOXMYGJCNRX-KRWDZBQOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114114
CN(Cc1n[nH]c2c1CCC2)C(=O)NCC[C@H](c1ccccc1)c1ccco1	ZINC22_426361471	378.467	YUNQOXMYGJCNRX-QGZVFWFLSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114115
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Nc1ccc(c(c1)C)C	PC-id_92109576	378.467	ATPQZAABPZJBGC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114116
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)NCCc1ccccc1	PC-id_92109575	378.467	SRAREDRBCUZWAJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114117
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1ccccc1)c1occc1)C#N	PC-id_78755886	378.467	KYLWGZJLOIVIER-UHFFFAOYSA-O	00000010101000110000000010000000000000000000000000000000	25-01-114118
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1ccccc1)c1occc1)C#N	PC-id_8696287	378.467	KYLWGZJLOIVIER-FQEVSTJZSA-O	00000010101000110000000010000000000000000000000000000000	25-01-114119
s1c2CCCc2c(c1NC(=O)C[NH2+][C@H](c1ccccc1)c1occc1)C#N	PC-id_8696289	378.467	KYLWGZJLOIVIER-HXUWFJFHSA-O	00000010101000110000000010000000000000000000000000000000	25-01-114120
c1(NC(=O)c2csnn2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16454094,EMOLS-id_9880845,TIMTEC575062,MCULE-6453035586	378.469	YNCZVDBREMGEHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114121
c1(NC(=O)CS(=O)CC(=O)N(C)CCC#N)sc2c(CCC2)c1C#N	EMOLS-id_320676717,MCULE-1044083596	378.469	SSOULQXFVHKEIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114122
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCc1nnc2n1CCC2	ZINC22_79062888,MCULE-5174458603,EMOLS-id_43411873,PC-id_72100956	378.469	TUJGPFVQOPDBPX-CHWSQXEVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114123
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(o1)C1CC1	CoCoCo_4175018,PC-id_8395425	378.469	SWZHEAULYDTUSB-ZETCQYMHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114124
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(o1)C1CC1	PC-id_8395426,CoCoCo_4175019	378.469	SWZHEAULYDTUSB-SSDOTTSWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114125
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1csnn1	ZINC22_11914403,PC-id_42278661,CoCoCo_6289793	378.469	YNCZVDBREMGEHF-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-114126
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1csnn1	ZINC22_11914404,CoCoCo_6289794,PC-id_42278662	378.469	YNCZVDBREMGEHF-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114127
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CC2)cnn1)C(=O)OC	PC-id_33396440	378.469	PFOAQKWEDUQLMH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114128
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)ccc(=O)n1)C(=O)N	PC-id_56328682	378.469	AHLZVGOKRGBLPS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-114129
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC=C)cnn1)C(=O)OC	PC-id_7802759	378.469	VZRHUUYPIFGQHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114130
s1c2c(CCC2)c(c1NC(=O)CSc1nc(cc(n1)N)C)C(=O)OC	PC-id_51190652	378.469	ZEVLWOGCBGJOMX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-114131
s1c2c(CCC2)c(c1NC(=O)C(Sc1oc(nn1)C1CC1)C)C(=O)N	PC-id_17392118	378.469	SWZHEAULYDTUSB-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114132
Cc1cc(C)n(c2cccc(CN(C)C(=O)NCc3n[nH]c4c3CCC4)c2)n1	EMOLS-id_177375980,PC-id_121496586,ZINC22_426396664,MCULE-1274315950	378.471	UBCBEGNRICJVPB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114133
c1(c(C)sc(c2cc(n[nH]2)C)c1)S(=O)(=O)NCc1nnc2CCCn12	MCULE-9064314288,EMOLS-id_316267307,ZINC22_1506406775	378.472	GSNTXXUFNVNQFY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-114134
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnnn1C1CC1	PC-id_16335762,EMOLS-id_11775769,MCULE-2082642524,SCHEMBL20936252	378.472	IJBDEKLBGWYSJO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114135
C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4239598,PC-id_9450139,ZINC22_8324437	378.472	IJBDEKLBGWYSJO-SSDOTTSWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114136
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4239599,PC-id_9450138,ZINC22_8324436	378.472	IJBDEKLBGWYSJO-ZETCQYMHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114137
COCCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-6021132765,EMOLS-id_335803801	378.472	YTDJZYRYWCEYGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114138
CCNC(=NCc1ccccc1Cn1cccn1)NCc1nnc2n1CCC2	PC-id_111020557	378.474	ZDFZDXHWSPKSSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114139
CCNC(=NCc1nnc2n1CCC2)N(Cc1ncc([nH]1)c1ccccc1)C	PC-id_109843976	378.474	YPFHSNHQAYJTKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114140
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1)n1cccn1	PC-id_111020579	378.474	KHILDLFCAWEVQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114141
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1n1nc(cc1C)C	PC-id_112394000	378.474	ZQHBDYQXDGADNU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114142
c1(NC(=O)CCCSc2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	MCULE-4875418005,EMOLS-id_16349219,PC-id_22582906,CoCoCo_2590324,ChEMBL-DNDi_CHEMBLF2813-0332	378.484	UWPRZZHLGYEWQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114143
s1c2c(CCC2)c(c1NC(=S)Nc1cc(F)c(cc1)C)C(=O)OCC	PC-id_8446591	378.484	MNFJQWVWROCNNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114144
s1c2c(CCC2)c(c1NC(=S)NCCc1ccc(F)cc1)C(=O)OC	PC-id_19649761	378.484	KIILCZSGDZTDDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114145
c1(c2CCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)NC1CCCC1	MCULE-5477685858,PC-id_17377040,EMOLS-id_4056104,TIMTEC90412	378.486	BYLVRGWMDKNGMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114146
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)NC1CCCCC1	TIMTEC607739,ZINC22_17077423,CoCoCo_6832315,EMOLS-id_4056100,PC-id_17377338,MCULE-8917235875	378.486	ZXVOPYDBDLOPFL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114147
C1(CCCCC1C(=O)Nc1sc2CCCc2c1C(=O)OCC)C(=O)NC	MCULE-1532956148,EMOLS-id_328181586	378.486	URXRVKAJBYFBRC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114148
CC(C)[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCC[C@H](C(=O)N)C1	PC-id_97185043,ZINC22_95349034	378.486	JBPGKDWEQGKEQU-BBRMVZONSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114149
CC(C)[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCC[C@H](C(=O)N)C1	PC-id_97185044,ZINC22_95349035	378.486	JBPGKDWEQGKEQU-XJKSGUPXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114150
CC(C)[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCC[C@@H](C(=O)N)C1	ZINC22_95349036,PC-id_97185045	378.486	JBPGKDWEQGKEQU-CJNGLKHVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114151
CC(C)[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCC[C@@H](C(=O)N)C1	ZINC22_95349037,PC-id_97185046	378.486	JBPGKDWEQGKEQU-CZUORRHYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114152
CC(C(C(=O)N1CCCC(C1)C(=O)N)OC(=O)c1sc2c(c1)CCC2)C	PC-id_75402672,EMOLS-id_48211238,MCULE-4970834126	378.486	JBPGKDWEQGKEQU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114153
C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2	CoCoCo_6832081,PC-id_27520729,ZINC22_17077425	378.486	BYLVRGWMDKNGMM-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-114154
C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2	PC-id_27520727,ZINC22_17077424,CoCoCo_6832082	378.486	BYLVRGWMDKNGMM-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114155
CCOC(=O)c1c(NC(=O)C2CN(C(=O)C2)C(C)(C)C)sc2CCCc12	MCULE-3142178263,EMOLS-id_327861926	378.486	ATIZDVLQCGHXJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114156
CCOC(=O)c1c(NC(=O)CCCC(=O)N2CCCC2)sc2CCCc12	EMOLS-id_328143498,MCULE-4156896235	378.486	CLJIITQOFDVJDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114157
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)CCCc1ccccc1	EMOLS-id_319211569	394.283	YDHOZJCWKCXVTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121513
CCOC(=O)c1c(NC(=O)CCC(=O)N2CCCCC2)sc2CCCc12	MCULE-8471753669,EMOLS-id_328196217	378.486	CQVGMOGFAVAMTP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114158
OC(=O)CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)(C1CCCCC1)C	PC-id_119107578	378.486	FBHAOAMJFVJKCR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114159
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N(C)C	PC-id_45663326	378.486	IFSFMKSWMIGKGS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114160
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC1CCCCC1)C(=O)N	PC-id_3989857	378.486	OMWMEGINYKNELV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114161
c12CN(Cc1sc(C(=O)NCc1ccc(cc1)OC)c2)Cc1ccccc1	ChEMBL-DNDi_CHEMBL1616555,CK3121059,CoCoCo_2683970,CoCoCo_2683971,EMOLS-id_11071468,MCULE-1375680572,PC-id_3703372	378.487	OZCHZMLBAZQQGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114162
c1(NC(=O)CS(=O)CC(=O)c2cccs2)sc2c(CCC2)c1C#N	MCULE-4294666747,EMOLS-id_320647156	378.489	APMDEEMZILRYIT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114163
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)C(=O)CC(C)C	MCULE-2443132540,STOCK6S-27994,EMOLS-id_4768261,ZINC22_13628250,PC-id_17588809	378.489	ABKLSAVNWBFSCX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114164
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1c(C)noc1C)C1CCCC1	PC-id_92110022	378.489	FXMYLXWFEIKNFS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114165
O=C(N1CCN(CC1)C(=O)C1CCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999943	378.489	SONUNOBWUNWBQY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114166
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)NCC)C(=O)N	PC-id_48938154	378.489	OGDIACPTDLLSAL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114167
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)C(C)C)C(=O)N	PC-id_46483751	378.489	APAQCCQFTNKFHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114168
S1Cc2c(NC(=O)C3CCCC3)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053117	378.489	RNWWDUZNGGKZMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114169
s1c2CCCc2cc1C(=O)NN=Cc1c(n(nc1C)Cc1ccccc1)C	PC-id_85015405	378.491	GQTMTQYNQABZPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114170
S(C(C(=O)N(Cc1n2CCCc2nn1)C)c1ccccc1)c1ccccc1	PC-id_75875558	378.491	QEYCTBDOCMELIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114171
S([C@@H](C(=O)N(Cc1n2CCCc2nn1)C)c1ccccc1)c1ccccc1	PC-id_52587710	378.491	QEYCTBDOCMELIX-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114172
S([C@H](C(=O)N(Cc1n2CCCc2nn1)C)c1ccccc1)c1ccccc1	PC-id_52587711	378.491	QEYCTBDOCMELIX-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114173
c1(CN(CCOC)C(=O)NCc2cn3c(SCC3)n2)c(C)nn(C)c1C	ZINC22_426491139,MCULE-7669074574,PC-id_119065077,EMOLS-id_82717323	378.492	XDVNNNBZFPNVKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114174
O=C(N1CCC(CC1)N1CCCNC1=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99862841	378.492	WCNBZXHIDYQREF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114175
c1(NC(=O)c2sccc2C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387486,MCULE-1938914981	378.509	BAOFFGWBTRCQBY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114176
c1(NC(=O)Cc2cccs2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2850391778,EMOLS-id_334386972	378.509	WBFJWNCCYWHAOB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114177
c1(NC(=O)CCCSC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9289722436,EMOLS-id_334343843	378.509	KSDREMMOMNUWAM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-114178
Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1sc2CCCc2c1C(=O)N	EMOLS-id_4056206,ZINC22_2755226,PC-id_3637258,MCULE-5896375488,CoCoCo_5810957,TIMTEC302195	378.509	MAWJQMUODBWUQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114179
CCC(c1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)C	MCULE-3651286476,EMOLS-id_16751742,PC-id_17526076	378.509	HYEVFZGLQLXVEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114180
CC[C@@H](c1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)C	CoCoCo_3532703,PC-id_8474091	378.509	HYEVFZGLQLXVEC-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114181
CC[C@H](c1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)C	PC-id_8474084,CoCoCo_3532704	378.509	HYEVFZGLQLXVEC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114182
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_3230866,MCULE-2640807187,CoCoCo_3335805,PC-id_2348981,EMOLS-id_43847214	378.509	UDJYYNDPLNJFFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114183
CCN(S(=O)(=O)c1cccc(c1)NC(=O)c1sc2c(c1)CCC2)CC	CoCoCo_3334306,MCULE-3801222823,EMOLS-id_17154137,PC-id_24230264	378.509	DSAZNSJFPBHOCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114184
CCOC(=O)c1c(NC(=O)CNC(c2cccs2)C)sc2c1CCC2	PC-id_112769603	378.509	UTNBBRGXBKDLIM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114185
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)S(=O)(=O)N(C(C)C)C	CoCoCo_3257072,EMOLS-id_24501840,PC-id_9224071	378.509	GNGHJOVDVUVQFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114186
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1ccc(cc1)C(C)(C)C	MCULE-7436521227,PC-id_8474067,EMOLS-id_16729142,CoCoCo_3532701	378.509	KDMDMKZTTCTGAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114187
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1c(C)c(C)cc(c1C)C	EMOLS-id_43896643,PC-id_8473941,CoCoCo_3532685,MCULE-8485041004	378.509	JXQFOFMLTOFDEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114188
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccsc1)C)C(=O)OCC	PC-id_9054587	378.509	GFSCJESYRWYTOH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114189
s1c2c(CCC2)c(c1NC(=O)CN(C(c1sccc1)C)C)C(=O)OC	PC-id_18124878	378.509	GOKJCGFBLQFVQD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114190
s1c2c(CCC2)c(c1NC(=O)CN(Cc1sccc1)C)C(=O)OCC	PC-id_8965896	378.509	XOIBXBBCEKHAIZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114191
S(=O)(=O)(NC(C)(C)C)c1cc(NC(=O)c2sc3CCCc3c2)ccc1	PC-id_9371854	378.509	QIVYQSBFANGHHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114192
CCC1=C(C(N=C1Cc1c(c2c([nH]1)C(=C(C)N=C)CC2=O)C)CC(=NC)C)C	PC-id_90943643	378.51	HOJUOVOYIOCJLA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-114193
c1(N2CCOCC2)nc(c(C(=O)NCCc2sc3c(CCC3)n2)s1)C	PC-id_154817831,ZINC22_1857733552,MCULE-6874760294,EMOLS-id_324286878	378.512	OHVFLLZYAIKTGO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114194
c1(NC(=O)C(CC(C)C)NC(=O)c2cccs2)n(C)nc2CSCc12	MCULE-6612666240,PC-id_134702231,EMOLS-id_316187328	378.512	SKVHODNDBSFIAL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-114195
Cc1cc(ccc1NS(=O)(=O)c1cnc2n1CCC2)N1CCSCC1	EMOLS-id_100969135	378.512	UEXDJHBRMBRDNM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114196
CC(C)C[C@@H](NC(=O)c1cccs1)C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529134299	378.512	SKVHODNDBSFIAL-GFCCVEGCSA-N	00000010100100000001000010000000000000000000000000000000	25-01-114197
CC(C)C[C@H](NC(=O)c1cccs1)C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529134300	378.512	SKVHODNDBSFIAL-LBPRGKRZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-114198
s1c2c(CCC2)c(c1NC(=O)CN(Cc1nc(sc1)CC)C)C(=O)N	PC-id_48108841	378.512	LIWZXRWMXUXNDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114199
s1c2CCCc2c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C#N	PC-id_78349397	378.512	IUYRDYOLVIXZGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114200
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)CC)C)C(=O)OC	PC-id_20167893	378.512	JBACYXKCCPSIRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114201
s1c2c(CCC2)c(c1NC(=S)NC(c1c(nn(c1)C)C)C)C(=O)OC	PC-id_20177043	378.512	XONUXGQDTWZUDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114202
s1c2c(CCC2)c(c1NC(=S)NC(c1c(n(nc1)C)C)C)C(=O)OC	PC-id_20177100	378.512	OJOKMZSDGMKOLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114203
s1c2c(CCC2)c(c1NC(=S)NCc1c(n(nc1C)C)C)C(=O)OC	PC-id_20177803	378.512	QXDSPVIBWWPURA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114204
s1c2c(CCC2)c(c1NC(=S)NCc1c(nn(c1)CC)C)C(=O)OC	PC-id_20177915	378.512	SVNJKRRRCQBUQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114205
s1c2c(CCC2)c(c1NC(=S)NCc1c(n(nc1)CC)C)C(=O)OC	PC-id_20177969	378.512	SGKBZBCMNKDJLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114206
s1c2c(CCC2)c(c1NC(=S)NCCCn1ncc(c1)C)C(=O)OC	PC-id_20174247	378.512	RBYRUOJPQSJHCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114207
s1c2c(CCC2)c(c1NC(=S)NCCCn1nc(cc1)C)C(=O)OC	PC-id_20174306	378.512	FHSRGBNHBJCLLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114208
s1c2c(CCC2)c(c1NC(=S)NCCCn1nccc1C)C(=O)OC	PC-id_20174426	378.512	XMJXHEGDROSWJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114209
O=C(N1CCN(CC1)c1snc(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003735	378.515	VRSSUSKYCZBSLS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114210
s1c(N/N=C/C(=Nn3c2nnc3C(C)C)C(C)(C)C)nnc1SCC	PC-id_59650240	378.519	MOVJQELKHNUDJT-SXGWCWSVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-114211
s1c(NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)nnc1SCC	PC-id_59702988	378.519	MOVJQELKHNUDJT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-114212
s1c(N/N=C/2C(=Nn3nc(nc23)C(C)C)C(C)(C)C)nnc1SCC	PC-id_23542651	378.519	VBCGLTIFQQKTLI-RQZCQDPDSA-N	00000011100000000001000010000000000000000000000000000000	25-01-114213
s1c(N/N=C/C(=Nn3nc(nc23)C(C)C)C(C)(C)C)nnc1SCC	PC-id_58679608	378.519	VBCGLTIFQQKTLI-MFOYZWKCSA-N	00000011100000000001000010000000000000000000000000000000	25-01-114214
s1c(NN=C2C(=Nn3nc(nc23)C(C)C)C(C)(C)C)nnc1SCC	PC-id_71190994	378.519	VBCGLTIFQQKTLI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-114215
s1nc(SCC)nc1N/N=C
/C(=Nn2nc(nc12)C(C)C)C(C)(C)C	PC-id_59913537	378.519	XNGKHXXTDANZAU-NVMNQCDNSA-N	00000011100000000001000010000000000000000000000000000000	25-01-114216
s1nc(SCC)nc1NN=C1C(=Nn2nc(nc12)C(C)C)C(C)(C)C	PC-id_72594706	378.519	XNGKHXXTDANZAU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-114217
c1(NC(=O)CC2CCCCC2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7391036770,EMOLS-id_334386193	378.529	IRFNMDWAMSZOFW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114218
c1(NC(=O)CCCCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7748533895,EMOLS-id_334339490	378.529	PZXIYLQHFBMDQO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114219
s1c2c(CCC2)c(c1NC(=O)CN(C1CCCCCC1)C)C(=O)OCC	PC-id_18290806	378.529	LSQCYNBXJRJBSK-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-114220
C1(CCCCC1)(c1ccccc1)CCC(=O)Nc1sc2CCCc2c1C#N	MCULE-5709190304,EMOLS-id_328205600	378.53	KATIZBQGQCZKJN-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-114221
O=S1(=O)CC[C@H](CCS(=O)(=O)NCCc2nc3c(s2)CCC3)C1	ZINC22_1857693607	378.53	DPODXNGHNRUDND-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114222
O=S1(=O)CC[C@@H](CCS(=O)(=O)NCCc2nc3c(s2)CCC3)C1	ZINC22_1857693608	378.53	DPODXNGHNRUDND-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-114223
O=S(=O)(CCC1CCS(=O)(=O)C1)NCCc1nc2CCCc2s1	MCULE-8779744749,PC-id_145939846,EMOLS-id_323985513	378.53	DPODXNGHNRUDND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114224
c12SCCn1cc(CNCC1(CCCN(CC3CCCCC3)C1=O)O)n2	PC-id_45200912,EMOLS-id_20532567,MCULE-3636045156	378.532	UJVDLYGEMWWWNK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114225
CC1CCC(C(C1)C1CCCN1C(=O)NCCc1cn2c(n1)SCC2)O	EMOLS-id_99495770	378.532	BOIJBBFILKAIOX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114226
CC(CC(=O)N1CCC(CC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102001908	378.532	KNBPBEHACJGARS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114227
C[C@H]1CN(CCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C)C1CCOCC1	EMOLS-id_102007362	378.532	MGZWPMJDWOFLLV-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114228
C[C@@H]1CN(CCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C)C1CCOCC1	EMOLS-id_102007365	378.532	MGZWPMJDWOFLLV-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114229
CNc1c(c2c(s1)CCC2)C(=NC1CCC(CC1)N(C)CCC(=O)O)N	PC-id_136422192	378.532	ABKUEDZJXUCIQT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114230
CNc1sc2c(c1C(=N)NC1CC[C@H](CC1)N(CCC(=O)O)C)CCC2	SCHEMBL13644117	378.532	ABKUEDZJXUCIQT-SBBUAOTASA-N	00000010100010000000000010000000000000000000000000000000	25-01-114231
O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1cn2c(n1)SCC2	CoCoCo_1318237,ZINC22_12444364	378.532	UJVDLYGEMWWWNK-LJQANCHMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114232
O=C1N(CC2CCCCC2)CCC[C@]1(O)CNCc1cn2c(n1)SCC2	CoCoCo_1318238,ZINC22_12444367	378.532	UJVDLYGEMWWWNK-IBGZPJMESA-N	00000010100010000001000010000000000000000000000000000000	25-01-114233
O=C(CN1CCC(CCN2CCOCC2)CC1)Nc1nc2c(s1)CCC2	PC-id_134813331,MCULE-1194315657,ZINC22_580786588,EMOLS-id_316820798	378.532	MWXMCMDCVYJFEL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114234
O=C(COc1ccc(C2SCCS2)cc1)Nc1nc2c(s1)CCC2	EMOLS-id_48207981,PC-id_75511794,MCULE-5902942183,ZINC22_52397576	378.532	ZDEFENNIFUDQKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114235
O=C(N1CCC[C@H](C1)CN1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008886	378.532	BZDFTLNISCGEMP-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114236
O=C(N1CCC[C@@H](C1)CN1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008892	378.532	BZDFTLNISCGEMP-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114237
O=C(N1CCN(CC1)CC1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003528	378.532	IJULXZNLRQJDMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114238
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)CC1COCC1	EMOLS-id_102003525	378.532	XUQKEQYHBIAQOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114239
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(CCOCC1)N1CCCC1	EMOLS-id_102002010	378.532	GANNLLXVJRAAMF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114240
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1sccc1C)C)C)C(=O)N	PC-id_51539933	378.532	SOOPWIYCHJDTRJ-LLVKDONJSA-O	00000010100100000000000010000000000000000000000000000000	25-01-114241
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1sccc1C)C)C)C(=O)N	PC-id_51539935	378.532	SOOPWIYCHJDTRJ-NSHDSACASA-O	00000010100100000000000010000000000000000000000000000000	25-01-114242
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1sccc1C)C)C)C(=O)N	PC-id_75670814	378.532	SOOPWIYCHJDTRJ-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-114243
s1c2c(CCC2)c(c1NC(=S)Nc1c(SC)cccc1)C(=O)OC	PC-id_19648718	378.532	ACVIKAMSUJHSGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114244
S1Cc2c(NC(=O)CCC3CCCCC3)n(nc2C1)CC(=O)NCCC	PC-id_44052866	378.532	XHSHQTPRYHYBFK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114245
CS(=NS(=O)(=O)N1CCN(CC1)Cc1sc2c(n1)CCC2)(=O)C	EMOLS-id_257989145,MCULE-1039902917	378.534	UABRNEPDTLDWSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114246
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CNC2(C)C	PC-id_140817147	378.541	RLGMIJIACOPTEV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-114247
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817110	378.541	VQCJEUKHFIJNKJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-114248
Cc1c(c(nn1SCCC(C)C1CCn2c1cc(n2)C(C)C)C(C)C)F	SCHEMBL19880579,PC-id_134267320	378.55	RBIWYSPMYKTSFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114249
CCCC(Nc1n(nc2c1CN(C2(C)C)C(CCC)C)C(=O)OCC)CC	PC-id_143654908	378.552	FZTMPIGTMXQHKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114250
Cc1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)ccc1F	EMOLS-id_324912134	378.637	HFSVFDZESGFXMA-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114251
n12c(=O)c(=Cc3ccc(F)c(C)c3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-6615275049	378.637	HFSVFDZESGFXMA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114252
COC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12	PC-id_134285218,SCHEMBL19900931,BindingDB-id_987255	378.782	VRENBSJHFXCPFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114253
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(F)cc1	PC-id_8620122	378.805	WFDJJSYMFLORPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114254
Clc1cc(F)c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8629712	378.805	AHTJOXRBQPJOBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114255
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc(F)c1	PC-id_8764165	378.805	GOYNIZDWUFWCSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114256
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(F)ccc1	PC-id_16540728	378.805	ULBRDBBLSYQAMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114257
C1Cc2c(c(c(n2C1)C(=O)Nc1ccc(cc1)Cl)N=Cc1ccco1)C#N	BindingDB_PC-id_137632390,PC-id_137632390	378.812	BIVPQGZBRWLZLD-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-114258
Fc1ccc(c(c1)Cl)C1OCCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101420430	378.828	DZGUXISPMSUSCV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114259
O=C(N1CCOC(C1)c1ccc(c(c1)Cl)F)NC1CC(n2c1ncc2)C	EMOLS-id_101414206	378.828	CKDPXNLWRSJVNQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114260
Clc1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_7521502	378.83	FMBAAAKFJRPNHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114261
Clc1ccc(C(=O)NNC(=O)COC(=O)c2sc3CCCc3c2)cc1	CoCoCo_2840819,PC-id_5144974,EMOLS-id_11666355,MCULE-6982945080	378.83	IVRBTZAJADQXMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114262
Clc1ccc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_2629219	378.83	ZJBKAMFTOHATJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114263
Clc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)ccc1	PC-id_7521504	378.83	UMTPOYGKFXBQOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114264
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cccc1	PC-id_7521503	378.83	WRSSNWZKYZIMHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114265
Clc1c([N+](=O)[O-])cc(C=Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_23932335	378.83	CFLBYCBHGGTYSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114266
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2Cl)sc2c1CCC2	MCULE-5239533504,EMOLS-id_3461213,PC-id_2624184,ZINC22_3507151,CoCoCo_3030990	378.83	DHIGWPGPNTUVCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114267
NC(=O)c1c(NC(=O)COC(=O)c2cccc(Cl)c2)sc2c1CCC2	MCULE-6918731252,PC-id_2399356,ZINC22_3283836,CoCoCo_3042017,EMOLS-id_3158166	378.83	DRBKROCOAJYALB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114268
COCCS(=O)(=O)N1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91960018	378.832	BUBGMTUQQPQDMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114269
CCC(CC)c1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324853487	378.833	BVMWSNNUPPDUHI-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114270
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCC(=O)N)cc1	PC-id_16947490	378.833	CKFCWZHVDFGIQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114271
Clc1cc(ncc1)C(=O)NCC(=O)NNC(=O)c1sc2CCCc2c1	PC-id_24540844	378.833	XBGAUKMOLPKNGB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114272
n12c(=O)c(=Cc3ccc(Cl)c(c3)N(=O)=O)sc1nc(C(CC)CC)n2	MCULE-5775786374	378.833	BVMWSNNUPPDUHI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114273
Cc1ccc(cc1)NC[C@@H]1Cn2c(C1=O)ccc2C(=O)c1ccc(cc1)Cl	PC-id_97636856	378.851	FPYAWXAZKQSYJP-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114274
Cc1ccc(cc1)NC[C@H]1Cn2c(C1=O)ccc2C(=O)c1ccc(cc1)Cl	PC-id_97636857	378.851	FPYAWXAZKQSYJP-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114275
Cc1cccc(Cl)c1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-1770483604,EMOLS-id_31548358,PC-id_46861330	378.851	AETWBVSXFUCEAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114276
Cc1cccc(Cl)c1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364559,PC-id_52340510	378.851	AETWBVSXFUCEAA-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114277
Brc1ccc(c(c1)Br)C(=O)NC(c1nnc2n1CCC2)C	PC-id_103885289	414.095	ZRUXJAMCCCHCCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129737
Cc1cccc(Cl)c1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364560,PC-id_52340511	378.851	AETWBVSXFUCEAA-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114278
Cc1ccc(Cl)cc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31548356,MCULE-4375370911,PC-id_46861329	378.851	YJYYOFUXCIUFEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114279
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340508,ZINC22_51364557	378.851	YJYYOFUXCIUFEN-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114280
Cc1ccc(Cl)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364558,PC-id_52340509	378.851	YJYYOFUXCIUFEN-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114281
Cc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1Cl	PC-id_46861335,MCULE-8710559703,EMOLS-id_31548368	378.851	PTERAOYEYWVRFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114282
Cc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(Cl)c1	EMOLS-id_31548366,PC-id_46861334,MCULE-8825214300	378.851	WWKLELSBIOBNPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114283
Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1Cl	PC-id_52340521,ZINC22_51364570	378.851	PTERAOYEYWVRFV-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114284
Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1Cl	ZINC22_51364569,PC-id_52340520	378.851	PTERAOYEYWVRFV-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114285
Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(Cl)c1	PC-id_52340519,ZINC22_51364568	378.851	WWKLELSBIOBNPV-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114286
Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(Cl)c1	ZINC22_51364567,PC-id_52340518	378.851	WWKLELSBIOBNPV-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114287
Cc1c(Cl)cccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-3712387622,EMOLS-id_31548354,PC-id_46861328	378.851	LYTOBKUUCWRZKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114288
Cc1c(Cl)cccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340507,ZINC22_51364556	378.851	LYTOBKUUCWRZKY-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114289
Cc1c(Cl)cccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364555,PC-id_52340506	378.851	LYTOBKUUCWRZKY-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114290
Clc1cccc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	EMOLS-id_31548398,PC-id_46861350,MCULE-4910264428	378.851	YQXJXKSHVZLIPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114291
Clc1ccc(C(=O)c2n3CC(C(=O)c3cc2)CNc2ccc(cc2)C)cc1	PC-id_56697166	378.851	FPYAWXAZKQSYJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114292
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1cccc(Cl)c1	PC-id_52340548,ZINC22_51364599	378.851	YQXJXKSHVZLIPR-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114293
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1cccc(Cl)c1	PC-id_52340549,ZINC22_51364600	378.851	YQXJXKSHVZLIPR-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114294
c12c(sc(c1C(=O)C(C2=O)(Br)Br)Cl)Cl	PC-id_134986408	378.853	NDRVAPMENAFWLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114295
CC1OCCN(C1)C(c1c(F)cccc1Cl)CNC1CCn2c1ncc2	EMOLS-id_318290692	378.871	SLZSZZKEZNBALF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-114296
Clc1c(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)c(F)ccc1	PC-id_2699442	378.871	MKCIEBFXDCKHEO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114297
c1(c2CCCc2sc1NC(=O)Nc1ccc(cc1)Cl)C(=O)OC(C)C	ZINC22_2761516,TIMTEC38435,PC-id_4085944,CoCoCo_5829606,EMOLS-id_4056459,MCULE-2261516441	378.873	AHDJLEWAKKIAFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114298
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	EMOLS-id_2584966,ZINC22_2640766,PC-id_2103636,SPECS-id_AP-970/43375912,SPECS-id_AN-153/I279480,MCULE-8011940187,CoCoCo_1990745	378.873	KESBAKSUENBERZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114299
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	MCULE-6336486319,PC-id_19173632	378.873	QRLDSJBZTNYPFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114300
c1(NC(=O)C(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-7514868284,EMOLS-id_334329817	378.873	SQBVKXLBMZFDOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114301
c1(NC(=O)C(C)Oc2cc(C)ccc2Cl)sc2c(CCC2)c1C(=O)N	TIMTEC308917,PC-id_4512409,EMOLS-id_4056465,MCULE-8377978755	378.873	MIHGJJNPSHQSBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114302
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-3385211080,EMOLS-id_334328025	378.873	DWUNAJMDBRCIFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114303
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCCC	CoCoCo_5833621,ZINC22_2103079,EMOLS-id_4056457,SPECS-id_AK-968/40726606,TIMTEC86659,MCULE-4913033407,PC-id_1758293	378.873	BUFFSKKBKUYASN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114304
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_6844605,PC-id_40647458,CoCoCo_6798119	378.873	MIHGJJNPSHQSBE-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-114305
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_6844624,CoCoCo_6798120,PC-id_40647471	378.873	MIHGJJNPSHQSBE-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114306
Cc1cc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc(C)c1Cl	PC-id_4503683,ZINC22_6266301	378.873	ZVTKTZAUBCHUKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114307
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccc(Cl)cn1	EMOLS-id_331242859	378.873	QJXACQCFKVEYCW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114308
Clc1c(cc(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1)C	PC-id_78569077	378.873	ZICVYPBAUNRMNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114309
Clc1cc(c(OC(C(=O)NNC(=O)c2sc3CCCc3c2)C)cc1)C	PC-id_46652834	378.873	NRMJPDJUGYYFNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114310
Clc1c(cc(O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1)C	PC-id_7925735	378.873	ZICVYPBAUNRMNA-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-114311
Clc1c(cc(O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1)C	PC-id_7925773	378.873	ZICVYPBAUNRMNA-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114312
Clc1cc(C(=O)/N=c/2sc3c(n2CC2CCC2)COC3)c(OC)cc1	SCHEMBL3670704,PC-id_25123305	378.873	NEFGUGIWJVLOHW-ZZEZOPTASA-N	00001010100000110001000010000000000000000000000000000000	25-01-114313
Clc1cc(NC(=O)CN(C(=O)c2sc3CCCc3c2)C)c(OC)cc1	PC-id_9426147	378.873	MXLCSAKVHUOVCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114314
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)NCCOC)cccc1	BindingDB_PC-id_71461257,PC-id_71461257	378.873	LBWNGSFQCGZGLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114315
Clc1c(OCC)c(OC)cc(c1)C=NNC(=O)c1sc2CCCc2c1	PC-id_85015446	378.873	CPILVLWNOAJESN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114316
Clc1c(OC)c(OCC)cc(C=NNC(=O)c2sc3CCCc3c2)c1	PC-id_85015444	378.873	ARZFONSYSLKYCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114317
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(cc1Cl)F)(C)C	PC-id_111569245	378.875	LYSPNFXBLKANIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114318
Clc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc1	PC-id_44052887	378.876	GHMDCCKZZUKWSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114319
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)ccc1	PC-id_44052886	378.876	SUQLKWTTWDAVCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114320
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cccc1	PC-id_44052885	378.876	WYCROCMPLGLYHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114321
Cc1cc(C)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(Cl)c1	EMOLS-id_328217215,MCULE-3549186749	378.895	IEHMSGZKNQVZDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114322
Clc1ccc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-4847187057,EMOLS-id_328212862	378.895	TXBMKPQOFHOLTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114323
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1ccc(cc1)Cl	EMOLS-id_186591857,MCULE-7582453807	378.896	DGCXTIUUPNMBAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114324
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1ccccc1Cl	MCULE-5113840216,EMOLS-id_186592835	378.896	XNTGAFXFQRZDME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114325
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1cc(Cl)ccc1	EMOLS-id_186595825,MCULE-2500552418	378.896	GSDLTIMYJAUFDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114326
Clc1ccc(cc1)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC08201362,PC-id_9336561	378.896	NDBPESVFAONZKI-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114327
Clc1ccc(cc1)C[N@H+](CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC07929602	378.896	YGNNNBBOBLHIRU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114328
Clc1ccc([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_9336557	378.896	NDBPESVFAONZKI-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-114329
Clc1ccc(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_84983907	378.896	NDBPESVFAONZKI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114330
Clc1cc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1	PC-id_9251429	378.896	LNWMDPGHIPEXOX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114331
Clc1c([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_9307320	378.896	CSTIUWOCCLWWAI-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-114332
Clc1c([C@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_9307322	378.896	CSTIUWOCCLWWAI-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114333
Clc1c(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_84975839	378.896	CSTIUWOCCLWWAI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114334
Clc1ccc(s1)c1nc(c(s1)C(=O)Nc1n(C)nc2c1CCC2)C	PC-id_99263302,EMOLS-id_98809816	378.9	PWSIOPGUSCCZLG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-114335
C/C=C(C1=C(C)c2n(C1CCC1(F)CCC(CC1)C1(O)CC1)cnc2)/Cl	PC-id_142610964	378.911	XKGNWEJQYPSNMB-HQYXKAPLSA-N	00100011100010000001100010000000000000000000000000000000	25-01-114336
CCNC(=NCc1nnc2n1CCC2)NCCSc1ccc(cc1)Cl	PC-id_111020473	378.923	SZQKGOVYPFBTEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114337
COC(=O)C1=C2CCCN2C(=C1Cl)C(=O)C(=O)NC3(CCOCC3)C#N	PC-id_149393147	379.093	YNXUSXQVQTVRED-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114338
Cc1nn2c(nnc2/c/1=CCc1cc(c(c(c1)Cl)O)Cl)CCCNC	PC-id_163768877	379.097	MESPFXPAXNPGOG-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-114339
Brc1cc(c(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)C#N	SCHEMBL3202200,PC-id_68548116	379.166	WFHHKMUTYLTHNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114340
OC(=O)c1sc2CN(Cc2c1I)C(=O)OCC=C	EMOLS-id_331241836	379.171	LDNRMMZCURSGLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114341
Cn1nccc1S(=O)(=O)N1CCn2ncc(I)c12	ZINC22_451100816	379.177	YCABKECGPKKMLQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114342
CCN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=C(C=C(C=C4)F)C)N	PC-id_161930789	379.181	QGEJXSAOOXUQEE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-114343
CCN(C)C(=O)[C@H]1CC[C@@H]([C@@](C1)(C)NC(=O)C2=NC3=C(S2)CN(C3)C)N	PC-id_149056821	379.204	QKZSMILXMDMZEY-MIUNTBIASA-N	00000010100010000001000010000000000000000000000000000000	25-01-114344
BrC1=CC(=CNNC(=O)c2n[nH]c3CCCc23)C=C(OC)C1=O	PC-id_6835548	379.209	MVMPNFMFVGVSDK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-114345
COc1c(c(cc(c1)/C=N/NC(=O)c1n[nH]c2c1CCC2)Br)O	PC-id_135607301	379.209	DGELWBNSCQVWQI-REZTVBANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114346
CC1=C2CCC(C2=NN1)NC(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N(C)C)C	PC-id_153404052	379.212	WCRKIEQSDGSRIR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114347
c12CN(Cc1sc(I)c2C=O)C(=O)OC(C)(C)C	MCULE-6443489998,EMOLS-id_331066149	379.214	UKZBZAWQAQPTIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114348
CCOC(=O)c1c(NC(=O)CI)sc2CCCc12	MCULE-6103966503,EMOLS-id_327892242	379.214	KEZBQBSZFUHAJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114349
COC(=O)C(CNC(=O)c1sc2c(c1)CCC2)I	PC-id_113822326	379.214	KNJMGMXRTBHIEP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114350
Brc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)O)C	SCHEMBL18588206	379.227	NBPUYUFLJIBFFI-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114351
Brc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)O)C	SCHEMBL18729970	379.227	NBPUYUFLJIBFFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114352
Fc1ccc(cc1)NC1CN(C1)C(=O)c1c(Br)nc2n1CCC2	EMOLS-id_258015189,MCULE-9785294741	379.227	OCAHEPTUFBCVGI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-114353
c12CN(Cc1nn(CC1CC1)c2I)Cc1ccccc1	EMOLS-id_324344677,MCULE-3974688322	379.239	IDFGFQPNEBGOON-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-114354
CC(C[C@H](C(=O)NCC(=O)N[C@@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)B)C	CoCoCo_5741260	379.239	RKYQTJNIVQRCNK-YUSALJHKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114355
CC(C[C@@H](C(=O)NCC(=O)N[C@@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)B)C	CoCoCo_5741261	379.239	RKYQTJNIVQRCNK-WCQGTBRESA-N	00000010100000000000000010000000000000000000000000000000	25-01-114356
CC(C[C@H](C(=O)NCC(=O)N[C@@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)B)C	CoCoCo_5741262	379.239	RKYQTJNIVQRCNK-JLLWLGSASA-N	00000010100000000000000010000000000000000000000000000000	25-01-114357
CC(C[C@@H](C(=O)NCC(=O)N[C@@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)B)C	CoCoCo_5741263	379.239	RKYQTJNIVQRCNK-MVWJERBFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114358
CC(C[C@@H](C(=O)NCC(=O)N[C@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)B)C	CoCoCo_5741264	379.239	RKYQTJNIVQRCNK-DLOVCJGASA-N	00000010100000000000000010000000000000000000000000000000	25-01-114359
CC(C[C@H](C(=O)NCC(=O)N[C@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)B)C	CoCoCo_5741265	379.239	RKYQTJNIVQRCNK-USWWRNFRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114360
CC(C[C@@H](C(=O)NCC(=O)N[C@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)B)C	CoCoCo_5741266	379.239	RKYQTJNIVQRCNK-ZMLRMANQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114361
CC(C[C@H](C(=O)NCC(=O)N[C@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)B)C	CoCoCo_5741267	379.239	RKYQTJNIVQRCNK-ADEWGFFLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114362
s1c2c(C(NC(=O)CNC(=O)C(NC(=O)B)CC(C)C)C(O)C2=O)cc1	PC-id_384416	379.239	RKYQTJNIVQRCNK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114363
Clc1c(C2=NOC(C2)C(=O)Nc2n(nc3c2CCC3)C)ccc(Cl)c1	EMOLS-id_44555943,MCULE-9175224934,PC-id_71883639	379.241	VKXGBDLVQZPTDY-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-114364
Clc1ccc(c(c1)Cl)N1CCC(C1=O)NC(=O)c1nn2c(c1)CCC2	EMOLS-id_316151084,MCULE-3095948917	379.241	QBKPJHKXANGMRV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114365
Cn1nc2c(c1NC(=O)[C@H]1CC(=NO1)c1ccc(Cl)cc1Cl)CCC2	PC-id_95163972,ZINC22_65855806	379.241	VKXGBDLVQZPTDY-OAHLLOKOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-114366
Cn1nc2c(c1NC(=O)[C@@H]1CC(=NO1)c1ccc(Cl)cc1Cl)CCC2	ZINC22_84303433,PC-id_97009564	379.241	VKXGBDLVQZPTDY-HNNXBMFYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-114367
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc2n(n1)CCC2	ZINC22_560271937	379.241	QBKPJHKXANGMRV-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114368
O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc2n(n1)CCC2	ZINC22_560271944	379.241	QBKPJHKXANGMRV-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114369
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2Br)OC)n1	MCULE-5594344996,EMOLS-id_330993399	379.248	JNQMWZPTANMNLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114370
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(OC)ccc2Br)n1	MCULE-2978584349,EMOLS-id_330993143	379.248	FWMBOYSPTNAPJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114371
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1Br)OC	EMOLS-id_330975155,MCULE-6672751339	379.248	JIOPAPJCTSRGBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114372
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(OC)ccc1Br	EMOLS-id_330974899,MCULE-5686906485	379.248	LCQGRHMKUGNBQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114373
CCN(CC)C1=CC=C(C=C1)N=C2C(=NN3C2=NN=C3CN4CCCCC4)C	PC-id_146689689	379.248	QFOBSIKXFBSVCE-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-114374
OCc1oc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Br	PC-id_105978023	379.25	PXQHTQUCMVRSNG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-114375
CN(Cc1nnc2n1CCC2)C(=O)CCOc1ccc(Br)cc1	MCULE-4013527556,ZINC22_58217480,EMOLS-id_31978530,PC-id_51116545	379.252	HEWNTJCGUPSPKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114376
COc1ccc(CCC(=O)NCc2nnc3n2CCC3)cc1Br	ZINC22_32769299,CoCoCo_4731991,MCULE-3631168233,PC-id_39997379,EMOLS-id_24059214	379.252	BLSYNCDCMALDHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114377
O=C(N1CCCC1c1ccc(c(c1)Cl)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_101436642	379.284	GDFGBZFHQKOYOZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114398
Cc1nn(c(c1NC(=O)c1c(Br)nc2n1CCC2)N1CCC1)C	MCULE-7359814833,EMOLS-id_258151930	379.255	ZNYWBGVPRMFMAC-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-114378
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18739966	379.257	NWEIPKRMQOWOSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114379
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18740167	379.257	LNZWALXNNLAJBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114380
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C(F)(F)F	SCHEMBL18740286	379.257	HPTUZPSSXULADM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114381
Brc1ccc(CC(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684512	379.271	GWUVWIDGCWSXBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114382
Brc1cc(C=NNC(=O)c2sc3CCCc3c2)ccc1OC	PC-id_85015595	379.271	KTJIXAPDJLCRIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114383
BrC1=CC(=C(NNC(=O)c2sc3CCCc3c2)C)C(=O)C=C1	PC-id_9462699	379.271	YMLGFFUYPTXGDF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-114384
Brc1cc(c(OC)cc1)C=NNC(=O)c1sc2CCCc2c1	PC-id_85015537	379.271	NLQULDFHELBHPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114385
c1(NC(=O)c2cccc(Br)c2)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590246,ZINC22_5055677,PC-id_7474977,EMOLS-id_16349087,MCULE-6137667630	379.271	YRPIGBPUUIWLOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114386
c1(NC(=O)c2ccccc2Br)sc2c(CCC2)c1C(=O)NC	MCULE-7530487523,CoCoCo_2590247,ZINC22_5055678,PC-id_7474978,EMOLS-id_16349089	379.271	HVASSJBFZRECMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114387
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NC	PC-id_7474976,EMOLS-id_334329308,MCULE-9534950394	379.271	YYQWZMIZHBJJBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114388
c1(NC(=O)Cc2ccc(cc2)Br)sc2c(CCC2)c1C(=O)N	MCULE-9291806995,EMOLS-id_181348493,PC-id_35524883,CoCoCo_6453613	379.271	VLMGUYMLMUQTET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114389
C/C(=NNC(=O)c1cc2c(s1)CCC2)/c1c(ccc(c1)Br)O	PC-id_135749620	379.272	BLGAAPKYONNASC-GIJQJNRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114390
c1(NC(=O)C(C)n2cc(c(C)n2)Br)sc2c(CCC2)c1C#N	MCULE-2836964457,TIMTEC538573,PC-id_17020639,EMOLS-id_4056641	379.275	WYQNTBMOMNRZTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114391
Cc1c(Br)cnn1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_6579474,PC-id_40440677,ZINC22_2778961	379.275	WBKXBHRTXMQJIX-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114392
Cc1c(Br)cnn1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_2778960,PC-id_40440676,CoCoCo_6579473	379.275	WBKXBHRTXMQJIX-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-114393
Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1Br	CoCoCo_6579484,ZINC22_2778988,PC-id_40440680	379.275	WYQNTBMOMNRZTC-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-114394
Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1Br	PC-id_40440681,ZINC22_2778989,CoCoCo_6579485	379.275	WYQNTBMOMNRZTC-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114395
CC(C(=O)Nc1sc2CCCc2c1C#N)n1ncc(Br)c1C	MCULE-2746049445,TIMTEC517978,EMOLS-id_4056643,PC-id_17020631	379.275	WBKXBHRTXMQJIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114396
O=C(C1(CCC1)c1c(Cl)cccc1Cl)NC(c1nnc2n1CCC2)C	EMOLS-id_318263667	379.284	VFOWPZSBXIIOQA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-114397
CCc1c(Br)nc2n1C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261705	379.291	RPLWYQKNTHKIEX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114399
CC(C)(C(=O)Nc1sc2CCCc2c1C#N)c1ccc(Cl)cc1Cl	MCULE-5093443613,EMOLS-id_328256286	379.303	OCHRZYFPPIVUQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114400
Brc1sc(c(S(=O)(=O)Nc2sc3CCCc3n2)c1)C	PC-id_80234557	379.316	NBZHMXCCKKRPJI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-114401
Brc1sc(S(=O)(=O)Nc2sc3CCCc3n2)cc1C	PC-id_79983586	379.316	XTBGLXNTPMJVHK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-114402
O=Cc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261703	379.333	RBYIHOVFSMMCNB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114403
NC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2	CoCoCo_3026148,ZINC22_9442642,MCULE-7023697298,PC-id_4993385,EMOLS-id_15242465	379.345	IGFLHLZLHHSBRP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-114404
C(F)(F)(F)C(=O)Nc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327957455,MCULE-3983431470	379.356	AVKUITCQSCZMER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114405
C(F)(F)(F)C(=O)Nc1cccc(c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3987519135,EMOLS-id_327995317	379.356	VMDQBSKKSRYEOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114406
s1c2c(CCC2)c(c1NC(=O)COc1c(F)cc([N+](=O)[O-])cc1)C(=O)N	PC-id_46484680	379.363	XBFVWBRLSPPPLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114407
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])ccc(F)c1)C(=O)N	PC-id_7533682	379.363	FAKOLAXHHVPVCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114408
C1Cn2c(c(c(=O)n2C1)N=C1C=C(C(=O)C(C1=N)OCCO)OCCO)N	PC-id_136659530	379.368	VYPMQQQMRIUMES-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-114409
O=c1n2n(CCC2)c(N)c1/N=C
/C(=C(OCCO)C(=O)C(=C1)OCCO)N	SCHEMBL3854988,PC-id_57578043	379.368	HWUKGYVWZZHUJJ-DJKKODMXSA-N	00000010100011000001000010000000000000000000000000000000	25-01-114410
CN1CC[C@](C1=O)(O)C#Cc1cccc(c1)NC(=O)c1n[nH]c2c1CNC2=O	PC-id_122508619,SCHEMBL18039511	379.369	KPUTWAGXGJAIMO-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114411
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1occc1C)NC(=O)c1ccccc1	PC-id_68442157,SCHEMBL2922820	379.369	WEHWRIJZWABTJH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114412
O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1occ2c1CCC2	EMOLS-id_320334587,ZINC22_671824261,PC-id_138997850,MCULE-9030461011	379.373	QXJIAVLAECMWQQ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-114413
CCc1c(nc2n1CC(O2)COc1ccc(cc1)C(C)(C)C(F)(F)F)C#N	PC-id_86342408	379.376	SDVHOSBJSQKYNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114414
N#Cc1nc2n(c1C)C[C@@](O2)(C)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261713	379.376	DKTSXMCUCLULHE-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114415
O=C(c1cc2n(n1)CCC2)NC1(CCOCC1)c1cccc(c1)C(F)(F)F	EMOLS-id_318351920	379.376	SBPUVIBRLUGJKH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114416
FC(c1ccc(cc1)C=NN1CCN(CC1)CC1Cn2c(O1)ncc2)(F)F	PC-id_141088126	379.38	SNEICXKIEBUGQY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-114417
O=C(NCCc1nnc2n1CCC2)NC1(c2ccc(C(F)(F)F)cc2)CC1	ZINC22_650970836	379.38	FNGMBSSWGFUDMC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-114418
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)NCCc1ccccc1	PC-id_97442838	379.384	QZHCANSXRXIREH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114419
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(c(F)c1)N(=O)=O	EMOLS-id_328217716,MCULE-5490220481	379.384	PHSMJGDGTDKWTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114420
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(F)cc1N(=O)=O	MCULE-1462190005,EMOLS-id_328216693	379.384	INHADPRXVQVYNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114421
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccncc2F)n1	MCULE-2687941432	379.388	WPPJCGNRMQDXJQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114422
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2c(cccn2)F)n1	MCULE-7935442774,EMOLS-id_316330806	379.388	LQXUVAWNDIRIAD-AWEZNQCLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114423
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccncc2F)n1	MCULE-6762197039,EMOLS-id_316333365	379.388	WPPJCGNRMQDXJQ-AWEZNQCLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114424
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccc(cn1)F	MCULE-1975854223	379.388	YTVMFKVSYDCFOU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114425
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(cn1)F	EMOLS-id_316321076,MCULE-7611505866	379.388	YTVMFKVSYDCFOU-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114426
CCOC(=O)Cc1c(sc2c1C(=[N+]=[N-])C(=N2)C(=O)OCC)C(=O)OCC	PC-id_136444598,SCHEMBL10460113	379.388	UZDTXABVOIIREX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-114427
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL2921872,PC-id_68441750	379.388	VAJXFAASFJNZSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114428
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68441574,SCHEMBL2921411	379.388	MRVPFPOXJLZTAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114429
Fc1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)Nc2ccccc2)cc1	SCHEMBL2920185,PC-id_68441209	379.388	XXKRILFOCQMULW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114430
Fc1cc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)Nc2ccccc2)ccc1	SCHEMBL2918969,PC-id_68440779	379.388	VNIGOAOJKAHNKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114431
Fc1c(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)Nc2ccccc2)cccc1	SCHEMBL2915156,PC-id_68439496	379.388	HCZZOJSQVFNJOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114432
Fc1c(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)NCc2ccccc2)cccc1	PC-id_68442924,SCHEMBL2924701	379.388	MHSJKUVIEXDIDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114433
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)NC(=O)OC	PC-id_7521480	379.388	JONOCTQGCDARBW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114434
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(C(=O)C1=O)C)C(=O)OCC	PC-id_7756693	379.388	NNCHKKLCGYANGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114435
C1Cc2c(C1)sc(c2C#N)/N=C/c1ccc(o1)c1c(ccc(c1)[N+](=O)[O-])O	PC-id_136178518	379.389	LXNWVLQVNWMFPW-UFFVCSGVSA-N	00000010101000110000100010000000000000000000000000000000	25-01-114436
c1(NC(=O)c2ccc(c3cccc(c3)N(=O)=O)o2)sc2c(CCC2)c1C#N	EMOLS-id_2490718,MCULE-8300960053,ZINC22_5050533,PC-id_2967518,CoCoCo_531093	379.389	RZPFCEQHOVHRTL-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-114437
s1c2CCCc2c(c1N/C=c
/o/c(=C/2C=C([N+](=O)[O-])C=CC2=O)/cc1)C#N	PC-id_50887532	379.389	AORVFTWWVIIFRO-XSJNGTIOSA-N	00000010101011000000100010000000000000000000000000000000	25-01-114438
s1c2CCCc2c(c1NC=c1oc(=C2C=C([N+](=O)[O-])C=CC2=O)cc1)C#N	PC-id_75575308	379.389	AORVFTWWVIIFRO-UHFFFAOYSA-N	00000010101011000000100010000000000000000000000000000000	25-01-114439
s1c2CCCc2c(c1NC(=O)c1oc(c2c([N+](=O)[O-])cccc2)cc1)C#N	PC-id_4511569	379.389	NZZQWFGOTYLAGQ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-114440
c1(NC(=O)c2ccc(N(=O)=O)o2)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277516,ZINC22_23138805,MCULE-1062499785,EMOLS-id_30132003,PC-id_30862144	379.391	CUQWRIQPTWKIRR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-114441
s1c2c(CCC2)c(c1Nc1nc(NCCO)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127547	379.394	DELLTFWNCGXBQU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-114442
Fc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1onc2CCCc12	MCULE-7753886465,EMOLS-id_12336751,PC-id_16942437	379.406	SICZLZZPTSFPHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114443
O=C(Nc1onc2c1CCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1	CoCoCo_5123886,ZINC22_8976531,PC-id_40894080	379.406	SICZLZZPTSFPHK-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114444
O=C(Nc1onc2c1CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1	ZINC22_8976532,PC-id_40894081,CoCoCo_5123887	379.406	SICZLZZPTSFPHK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114445
COc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O	EMOLS-id_45966499,ZINC22_16741718,GD-id_ZINC16741718	379.407	AHEABVZAZBZREO-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-114446
COc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O	ZINC22_39835500	379.407	AHEABVZAZBZREO-OENGIGCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114447
COc1ccc(/C=c/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_45965571,ZINC22_16741585	379.407	XDEXIUVAHSJSQP-VFLBTRNGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114448
COc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1	EMOLS-id_45970346,ZINC22_27022199	379.407	VKOZKXVZGHDBSL-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-114449
COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(F)cc4)/c(=O)n3n2)cc1	ZINC22_16807442	379.407	LVAXANOCBWVTJZ-VFLBTRNGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114450
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1	ZINC22_27022179,EMOLS-id_45970340	379.407	LVAXANOCBWVTJZ-PWFSRHFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114451
COc1cccc(/C=c/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)c1	ZINC22_16779420	379.407	ZNQJBWDLCYXQNP-KQOXKNJESA-N	00000000100000110001000010000000000000000000000000000000	25-01-114452
COc1cccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)c1	ZINC22_27023176,EMOLS-id_45970862	379.407	ZNQJBWDLCYXQNP-VXGMZCCXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114453
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)C=Cc1ccc(cc1)OC	MCULE-1170661036	379.407	LVAXANOCBWVTJZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114454
n12nc(nc1sc(=Cc1ccccc1F)c2=O)C=Cc1ccc(cc1)OC	MCULE-9047217345	379.407	VKOZKXVZGHDBSL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114455
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)C=Cc1ccc(cc1)F	MCULE-4520616051	379.407	XDEXIUVAHSJSQP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114456
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)C=Cc1ccc(cc1)F	MCULE-8059232561	379.407	AHEABVZAZBZREO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114457
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)C=Cc1ccc(cc1)OC	MCULE-5650982997	379.407	NYBWBJDPQYQOCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114458
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)C=Cc1ccc(cc1)F	MCULE-8815093782	379.407	ZNQJBWDLCYXQNP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114459
c1(C(=O)OCC)cn(Cc2c3CCCc3[nH]n2)cc(Oc2ccccc2)c1=O	PC-id_50959146,ZINC22_55154217,EMOLS-id_32223426,MCULE-9832804329	379.409	JIWVWOFVYXPWGR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114460
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL14055701,PC-id_89237131	379.411	HDHKHGGZPRWHHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114461
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1c(C)noc1C	MCULE-7292980905	379.412	SZGXUWSTEBTIPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114462
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1c(C)noc1C	MCULE-7393460615,EMOLS-id_316319545	379.412	SZGXUWSTEBTIPH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114463
c1(C(=O)OC)cc(cn1C)c1cccc(c1)C(=O)NCc1nnc2CCCn12	EMOLS-id_177367392,ZINC22_584885390,MCULE-5149692025	379.412	YLKBESJHGOGMFV-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-114464
COC(=O)c1c(c2cccc(C(=O)NCc3n[nH]c4c3CCC4)c2)cnn1C	ZINC22_534673020,EMOLS-id_177502401,PC-id_122571787,MCULE-2168104685	379.412	ABWPVIDTTMFGEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114465
O=C(Nc1n[nH]c2CCCc12)Cc1ccc(cc1)c1c(OC)nc(OC)nc1	PC-id_10271067	379.412	GAXHBMUOWVDLOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114466
O=C(Nc1n[nH]c2CCCc12)Cc1cc(ccc1)c1c(OC)nc(OC)nc1	PC-id_10271068	379.412	RCWLSKDZDAEIOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114467
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1ccnn1CC	MCULE-4691151254,EMOLS-id_316319550	379.416	VNKHEFGRGLFQHD-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114468
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CCn3cccn3)Cc12	EMOLS-id_317423214,MCULE-6514444185	379.416	AWTGKVUFXISTAU-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114469
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CCn3ccnc3)Cc12	MCULE-2086861225,EMOLS-id_316334940	379.416	DYGKATLYLBLAMO-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114470
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)Cn3ccc(C)n3)Cc12	EMOLS-id_316320062,MCULE-7314749147	379.416	IOQZAOXBUGLCTR-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114471
O=C(Cn1ccc(n1)C)NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1	MCULE-5363803751	379.416	IOQZAOXBUGLCTR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114472
s1c2c(CCC2)c(c1NC(=O)CNC(c1c(F)cc(F)cc1)C)C(=O)N	PC-id_84994215	379.424	UKQWHCPVFUENSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114473
s1c2c(CCC2)c(c1NC(=O)CN[C@H](c1c(F)cc(F)cc1)C)C(=O)N	PC-id_9370507	379.424	UKQWHCPVFUENSU-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-114474
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](c1c(F)cc(F)cc1)C)C(=O)N	PC-id_9370511	379.424	UKQWHCPVFUENSU-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114475
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(cc1)OC(C)C	EMOLS-id_36614858,PC-id_56759466,ZINC22_67974090,MCULE-7022715587	379.427	OIYGXXHBWKAFQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114476
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1cc(C)c(c(C)c1)OC	PC-id_56756319,MCULE-6990106298,ZINC22_67907872,EMOLS-id_36607626	379.427	OSPURCPAOFAQQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114477
Brc1ccc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)Br	PC-id_114371024	414.095	AJNITDWEXDIRLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129738
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)C(CC)Oc1ccccc1	EMOLS-id_36563651,PC-id_56738463,MCULE-6181544069	379.427	UXXHDRYIWTZEQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114478
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)COc1cccc(C)c1C	PC-id_56745146,ZINC22_67740097,EMOLS-id_36580850,MCULE-2340920983	379.427	ZEFDKKUMJIOQMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114479
CC[C@@H](Oc1ccccc1)C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1	PC-id_95197738,ZINC22_67649711	379.427	UXXHDRYIWTZEQN-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114480
CC[C@H](Oc1ccccc1)C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1	ZINC22_67649708,PC-id_95197737	379.427	UXXHDRYIWTZEQN-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114481
COc1c(F)cc(cc1F)CNc1n[nH]c2c1SC(=N)/C/2=C(C(N)C)/C	PC-id_145425215	379.427	YOPFVBPJKOEYPY-RRGLTGFNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114482
Fc1ccc(C(CC(=O)N2Cc3n(ncc3C2)CCO)c2ccccc2)cc1	MCULE-6377692450,PC-id_77083953,EMOLS-id_50531909	379.427	SWHWSLABZRJVAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114483
O=C(C[C@H](c1ccccc1)c1ccc(F)cc1)N1Cc2cnn(CCO)c2C1	PC-id_99930934,ZINC22_215386295	379.427	SWHWSLABZRJVAF-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114484
O=C(C[C@@H](c1ccccc1)c1ccc(F)cc1)N1Cc2cnn(CCO)c2C1	ZINC22_215386343,PC-id_99930935	379.427	SWHWSLABZRJVAF-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114485
CCOC(=O)c1c(NC(=O)CN2C(=O)NC(C)(C)C2=O)sc2c1CCC2	MCULE-1215470663,PC-id_7181945,EMOLS-id_3631660,ZINC22_4309170,CoCoCo_2801517	379.431	FKYQMUPHORFVPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114486
s1c2CCCc2cc1C(=O)OCC(=O)C1C(N(CCC)C(=O)NC1=O)N	PC-id_78464110	379.431	GCGKVYNWBLYJRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114487
Cc1cccc(C)c1OCc1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324871689	379.432	PAJTWSTWOTVQTK-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114488
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324871686	379.432	RWTCVXJITYVJJV-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114489
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)c1	EMOLS-id_324879886	379.432	WVCGACDBNSDMTI-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114490
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)c1	EMOLS-id_324879883	379.432	UGKRCXRWACNIIT-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114491
Cc1cccc(OCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)c1C	EMOLS-id_324877835	379.432	HXMNPXYYFPPBSK-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114492
Cc1cccc(OCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)c1C	EMOLS-id_324877832	379.432	ZGNVPLIXEQKYDG-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114493
Cc1ccc(OCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324868617	379.432	QNXMEAFPUWSDFS-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114494
Cc1ccc(O)c(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324850417	379.432	HCGBNROYYVOOMS-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-114495
CCc1cccc(OCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)c1	EMOLS-id_324887050	379.432	XLRQBLZGAVGFAW-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114496
CCc1cccc(OCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)c1	EMOLS-id_324887047	379.432	DGDUBRHBYOUUFU-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114497
CCc1ccc(OCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)cc1	EMOLS-id_324890112	379.432	VWAKUFVHRQJYPH-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114498
CCc1ccc(OCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)cc1	EMOLS-id_324886029	379.432	DYZSSGOSZGTMEA-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114499
C(=Cc1ccc(OC)c(OC)c1)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2638384817	379.432	GKYYIBLCIUFIPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114500
C#C/C=CC(=C
/Nc2c(C1=O)sc(c2)Nc1ccc(cc1)C(C)C)[N+](=O)[O-]	PC-id_141950156	379.432	MHTLCLUUHWKXGY-LBEAHRKBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114501
CCOc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324836084	379.432	TUYLENWKHPGAJB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114502
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324844272	379.432	SGPJJUCWXBHERE-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-114503
CCOc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1O	EMOLS-id_324834551	379.432	QIPGEMSEAJFPGR-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114504
CCOc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324842741	379.432	QNUBNJGJPZPBOZ-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-114505
CCOc1ccc(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_324881408	379.432	JEFJSMFJYUZGTM-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-114506
COc1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324839670	379.432	JQNPRENXSHVDNX-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-114507
COc1cc(/C=c/2sc3nc(C)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324842209	379.432	RLUISSSNQJYNLG-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114508
COc1ccccc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324847356	379.432	PRPAVVIVOXYSIO-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114509
COc1ccccc1/C=c/1sc2nc(COc3ccc(C)cc3)nn2c1=O	EMOLS-id_324869636	379.432	LSOBBEWDESTDTL-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114510
COc1ccccc1OCc1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324868109	379.432	UWJSHOWSEKYZJW-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114511
COc1ccccc1OCc1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324867085	379.432	RUQWTCDDSOZMLA-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114512
COc1ccccc1OCc1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324869643	379.432	LRQHCOLDINBEDO-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114513
COc1cc(ccc1OC)/C=c/1sc2n(c1=O)c(nn2)Cc1ccccc1	EMOLS-id_11003281,ZINC22_5008507,ASN-11328843	379.432	NEGUUQDHCLDYHP-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114514
COc1ccc(Cc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1OC	EMOLS-id_324924422	379.432	DRZIEWKSBVRCBO-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114515
COc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324834804	379.432	CTKKAVLZVMHXEG-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114516
COc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324845819	379.432	BDVLOLRZOMSMTJ-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114517
Brc1ccc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)Br	PC-id_114371630	414.095	IIHIKMALALPLQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129739
COc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324868099	379.432	JMPFTAROFSJGID-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114518
COc1ccc(/C=c/2sc3nnc(Cc4ccccc4)n3c2=O)c(OC)c1	ZINC22_9187917	379.432	ZDGGGWZQHCZFOG-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114519
COc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1OC	EMOLS-id_324836599	379.432	VBIAGMGGUCNMFU-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114520
COc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324848380	379.432	XAMAPZJCQXTYSU-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114521
COc1cccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324866565	379.432	SNFIXHDUHHTOGH-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114522
COc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)cc1OC	EMOLS-id_328122993	379.432	GKYYIBLCIUFIPT-MDWZMJQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-114523
COc1cccc(OCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)c1	EMOLS-id_324874240	379.432	WWQAGSISZMPHLM-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114524
COc1cccc(OCc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)c1	EMOLS-id_324871694	379.432	PZOSTZLMQKXLSS-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114525
COc1cccc(OCc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)c1	EMOLS-id_324873231	379.432	RTAMNTHWEOANKU-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114526
COc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCC3)nn1	PC-id_91646331,EMOLS-id_50343049,ZINC22_123746239,MCULE-7133429237	379.432	OBULXSSMALECQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114527
COc1ccc(OC)c(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1	EMOLS-id_324837111	379.432	JINASQQCHOGRSN-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-114528
COCc1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324900358	379.432	POJBIZHBBVXVPE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114529
n12c(=O)c(=Cc3ccc(c(OC)c3)OC)sc1nnc2Cc1ccccc1	MCULE-2296458581	379.432	NEGUUQDHCLDYHP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114530
n12nc(nc1sc(=Cc1ccccc1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5324174806	379.432	DRZIEWKSBVRCBO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114531
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1ccc(cc1)OCC	MCULE-8473234239	379.432	JEFJSMFJYUZGTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114532
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1ccccc1OC	MCULE-1712367495	379.432	UWJSHOWSEKYZJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114533
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)COc1cccc(OC)c1	MCULE-3745781436	379.432	PZOSTZLMQKXLSS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114534
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1cccc(OC)c1	MCULE-6717140410	379.432	WWQAGSISZMPHLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114535
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)CCCOc1ccccc1	MCULE-9595604046	379.432	QPXBLSFXARTVPH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114536
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1ccc(cc1)CC	MCULE-6935166480	379.432	DYZSSGOSZGTMEA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114537
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1cc(C)ccc1C	MCULE-1013479497	379.432	UGKRCXRWACNIIT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114538
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1cccc(CC)c1	MCULE-8130430250	379.432	DGDUBRHBYOUUFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114539
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COC	MCULE-3856569427	379.432	POJBIZHBBVXVPE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114540
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCOc1ccccc1	MCULE-1213093988	379.432	PRPAVVIVOXYSIO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114541
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)CCOc1ccccc1	MCULE-4348827888	379.432	HCGBNROYYVOOMS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114542
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1ccc(cc1)C	MCULE-1500721690	379.432	QNXMEAFPUWSDFS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114543
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1ccc(cc1)C	MCULE-6534409897	379.432	LSOBBEWDESTDTL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114544
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)Cc1ccccc1	MCULE-1971200004	379.432	JINASQQCHOGRSN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114545
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1ccccc1OC	MCULE-1787747590	379.432	RUQWTCDDSOZMLA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114546
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)COc1ccccc1OC	MCULE-9112491752	379.432	LRQHCOLDINBEDO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114547
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1cccc(OC)c1	MCULE-3001478772	379.432	RTAMNTHWEOANKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114548
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCCOc1ccccc1	MCULE-4981455022	379.432	BQZCMMQIVGPFHK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114549
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1ccc(cc1)CC	MCULE-6833849667	379.432	VWAKUFVHRQJYPH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114550
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1c(C)cccc1C	MCULE-1526429745	379.432	PAJTWSTWOTVQTK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114551
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1cc(C)ccc1C	MCULE-6927158463	379.432	WVCGACDBNSDMTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114552
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1cccc(C)c1C	MCULE-8682156189	379.432	HXMNPXYYFPPBSK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114553
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1cccc(CC)c1	MCULE-3186774016	379.432	XLRQBLZGAVGFAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114554
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCOc1ccccc1	MCULE-2957394922	379.432	XAMAPZJCQXTYSU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114555
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1ccc(cc1)C	MCULE-5766827363	379.432	SNFIXHDUHHTOGH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114556
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)C	MCULE-9521068821	379.432	RLUISSSNQJYNLG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114557
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)Cc1ccccc1	MCULE-6520512797	379.432	VBIAGMGGUCNMFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114558
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1ccccc1	MCULE-2719426103	379.432	QNUBNJGJPZPBOZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114559
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)Cc1ccccc1	MCULE-5961881116	379.432	QIPGEMSEAJFPGR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114560
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)O)c2=O)Cc1ccccc1	MCULE-8250630202	379.432	TUYLENWKHPGAJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114561
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)COc1cccc(C)c1C	MCULE-4394301729	379.432	ZGNVPLIXEQKYDG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114562
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)COc1c(C)cccc1C	MCULE-8192624142	379.432	RWTCVXJITYVJJV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114563
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)CCOc1ccccc1	MCULE-3030814607	379.432	BDVLOLRZOMSMTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114564
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)COc1ccc(cc1)C	MCULE-3871728276	379.432	JMPFTAROFSJGID-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114565
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)COc1ccccc1	MCULE-7159751893	379.432	SGPJJUCWXBHERE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114566
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)Cc1ccccc1	MCULE-3720062573	379.432	CTKKAVLZVMHXEG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114567
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CCc1ccccc1	MCULE-4534709259	379.432	JQNPRENXSHVDNX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114568
N1(C(=O)CCCC1=O)c1ccc(C(=O)Nc2sc3CCCc3c2C#N)cc1	MCULE-2636277135,EMOLS-id_327843568	379.432	XWPBAZRGLVOBKY-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-114569
Oc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324852468	379.432	QPXBLSFXARTVPH-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114570
Oc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324852471	379.432	BQZCMMQIVGPFHK-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114571
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)NCCOc1ccccc1	PC-id_22976050,SCHEMBL7150823	379.432	SVWQPMFRHFXZAA-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-114572
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)NCCOc1ccccc1	PC-id_69957470,SCHEMBL7002326	379.432	SVWQPMFRHFXZAA-RVDMUPIBSA-N	00000010110000110000000010000000000000000000000000000000	25-01-114573
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)NCCOc1ccccc1	SCHEMBL7150815	379.432	SVWQPMFRHFXZAA-PTNGSMBKSA-N	00000010110000110000000010000000000000000000000000000000	25-01-114574
OCC(c1ccccc1)NC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7149613	379.432	BJUDZQGZBVVXLO-ZROIWOOFSA-N	00000010110000110000000010000000000000000000000000000000	25-01-114575
OC[C@@H](c1ccccc1)NC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7149614	379.432	BJUDZQGZBVVXLO-MBSJSRAVSA-N	00000010110000110000000010000000000000000000000000000000	25-01-114576
OC[C@@H](c1ccccc1)NC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	SCHEMBL7149615,PC-id_70004695	379.432	BJUDZQGZBVVXLO-IDJPSDCMSA-N	00000010110000110000000010000000000000000000000000000000	25-01-114577
OC[C@@H](c1ccccc1)NC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	SCHEMBL7149617,PC-id_59043146	379.432	BJUDZQGZBVVXLO-INIZCTEOSA-N	00000010110000110000000010000000000000000000000000000000	25-01-114578
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NC(c1ccccc1)CO	PC-id_22976077	379.432	BJUDZQGZBVVXLO-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-114579
O=C(c1cnn(c1C)C1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375548	379.434	ZSSFOXHIMSFVER-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114580
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C	EMOLS-id_110339569	379.434	HXNXVZCBZRKVLQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114581
O=C(NCCc1nnc2n1CCC2)c1ccc(S(=O)(=O)N2CCCC2)o1	MCULE-7950693551,PC-id_53512963,EMOLS-id_35722344,ZINC22_65541001	379.434	DZQXFYWMVZYUGA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-114582
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1cc(NC(=O)C)c(OC)cc1	PC-id_16588373	379.434	NVGMJOLNKHDBSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114583
c12NC(=O)C(CC(=O)Nc3ccccc3)n1nc(SCc1ccccc1)n2	STOCK6S-55743,EMOLS-id_17113284,PC-id_135629962,MCULE-8687731057	379.436	HPOODQGRBZPAOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114584
COc1cccc(c1)n1nnc(c1C)C(=O)Nc1sc2c(c1C#N)CCC2	MCULE-1068596415,PC-id_99799360,EMOLS-id_50557980	379.436	PZTJKHXSJUQTDH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114585
O=C(C[C@@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1ccccc1	PC-id_135904207,ZINC22_13735881	379.436	HPOODQGRBZPAOE-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-114586
O=C(C[C@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1ccccc1	ZINC22_13735884,PC-id_135904208	379.436	HPOODQGRBZPAOE-HNNXBMFYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-114587
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)/C=C/c1cccs1	PC-id_68439279,SCHEMBL2914577	379.436	FZBPHGGVIQRCFC-CMDGGOBGSA-N	00000010100100110001000010000000000000000000000000000000	25-01-114588
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)/C=C/c1ccsc1	SCHEMBL2924544,PC-id_68442865	379.436	FTCHKNQQXBFCMD-VOTSOKGWSA-N	00000010100100110001000010000000000000000000000000000000	25-01-114589
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)C=Cc1ccsc1	SCHEMBL2924551,PC-id_68442866	379.436	FTCHKNQQXBFCMD-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-114590
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(Nc2ncccn2)ccc1	PC-id_31901041	379.436	YJSHOWZMDSTAHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114591
s1c(C=CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)Nc2ccccc2)ccc1	PC-id_68439281	379.436	FZBPHGGVIQRCFC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-114592
c1(NC(=O)CNc2ccc(cc2)n2c(C)nnn2)sc2c(CCC2)c1C#N	EMOLS-id_320622765,MCULE-8194176556	379.439	LFCOZSULIQATCO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114593
c1(NC(=O)CNc2cccc(c2)n2c(C)nnn2)sc2c(CCC2)c1C#N	EMOLS-id_320674869,MCULE-3548196290	379.439	FBUMHDRSACGWDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114594
c1(NC(=O)CNc2ccc(c(C)c2)n2cnnn2)sc2c(CCC2)c1C#N	MCULE-8451170026,EMOLS-id_320732203	379.439	XSYDMSVYYHANPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114595
Cn1nc(c2c1CCC2)CN(S(=O)(=O)CCC(F)(F)F)C1CCCC1	PC-id_92110086	379.441	MQOGNDFJQHMHNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114596
COC(=O)C1(CC(=O)OC(C)(C)C)Cc2c(C1)cn(c2)C(=O)OC(C)(C)C	SCHEMBL8903941,PC-id_23358976	379.447	KGXKTQVBDXZTBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114597
C#Cc1cccc(c1)CC1CCc2c1cc(n2C(=O)OC(C)(C)C)C(=O)OC	PC-id_86638797,SCHEMBL1004446	379.449	ABBXZKCBGXGXMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114598
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OC	MCULE-3053066866,EMOLS-id_5571166,PC-id_7267202,ZINC22_4518039,CoCoCo_5142654	379.451	IFGQOWAMFXWCEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114599
c1(NC(=O)c2cccc(c2)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OC	MCULE-8958244426,PC-id_7267113,CoCoCo_5142452,ZINC22_4517907,EMOLS-id_5570862	379.451	GFZUEUGKBXWJEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114600
Cc1ccc(CCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324909059	379.451	FSCRZFURMNEJPR-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114601
CC(C)c1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324836604	379.451	IVNKBYJCGAJJFZ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114602
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1cccs1)CCC2C(=O)OC	SCHEMBL10818538,PC-id_70450825	379.451	TXANLYBKATVLAO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114603
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1cscc1)CCC2C(=O)OC	SCHEMBL10818467,PC-id_70450798	379.451	URLPDMGSMMCJPK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114604
CCOC(=O)c1c(NC(=O)COC(=O)c2cccs2)sc2c1CCC2	MCULE-2454498664,EMOLS-id_43725254,PC-id_2694724,ZINC22_3577996,CoCoCo_2927485	379.451	BRFMPEBTWGGWDE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114605
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)Cc1ccc(F)cc1	MCULE-1703668239	379.451	IVNKBYJCGAJJFZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114606
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)CCc1ccc(cc1)C	MCULE-7722596159	379.451	FSCRZFURMNEJPR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114607
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(NS(=O)(=O)C)cc1	PC-id_8128486	379.451	NUDZJDOZCIEDAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114608
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)C)ccc1	PC-id_8358945	379.451	IHHKCTUWVHUHGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114609
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(S(=O)(=O)C)cccc1	PC-id_8358952	379.451	HJVWENPWAPSEFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114610
s1c2c(CCC2)c(c1NC(=O)c1c(S(=O)(=O)C)cccc1)C(=O)OC	PC-id_7565529	379.451	DOGCKAUHVBVMJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114611
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(cc1)C)C(=O)OC	PC-id_16540776	379.451	UYHGYHMXRFESAF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114612
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sccc1C)C(=O)OC	PC-id_7504634	379.451	VGILHUOCJJCEIH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114613
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1ccccc1)C(=O)OC	PC-id_7544516	379.451	MIIDSFCHCANRFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114614
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)COCC(=O)[O-]	PC-id_27520850	379.451	WRYSVDCWOPJNQN-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-114615
Cc1cccc(c1)OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109393	379.452	UAEJWOAVANBVRL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114616
Cc1ccc(cc1)OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109394	379.452	YNGZBWSRBQYHPH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114617
CC(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Oc1ccccc1	PC-id_92109385	379.452	VQSZZWDMYOPVMN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114618
CCOc1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109345	379.452	RTRIJENQDABLCY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114619
CCOc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109346	379.452	QYUIGAXEJZOIRQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114620
CC(OC(=O)N1CC2(C1)c1ccccc1C(C2=O)Cc1nc2c([nH]1)CCC2)C	SCHEMBL18138902,PC-id_122610664	379.452	YNPSMAALKLHXFJ-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-114621
COc1ccc(cc1)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109399	379.452	RYGLZUTVQYEZFD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114622
COc1cccc(c1)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109449	379.452	LLMLVAWPPXUFEZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114623
COc1ccccc1CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109500	379.452	NIPTZYOXFIHOTA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114624
COC(=O)c1ccccc1C(=O)N1Cc2c(C1)c(n(n2)/C(=C(C(=C)C)/C)/C)C	PC-id_145597066	379.452	JOEAVJRMMJYBCM-PFONDFGASA-N	00000010100000110001000010000000000000000000000000000000	25-01-114625
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CC[C@@H](N2CC(O)C2)C1	ZINC22_2325802708	379.452	WYZBJTHFUQPNOY-AEFFLSMTSA-N	00001010100000110000100010000000000000000000000000000000	25-01-114626
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CC[C@H](N2CC(O)C2)C1	ZINC22_2325802709	379.452	WYZBJTHFUQPNOY-FUHWJXTLSA-N	00001010100000110000100010000000000000000000000000000000	25-01-114627
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CC[C@@H](N2CC(O)C2)C1	ZINC22_2325802710	379.452	WYZBJTHFUQPNOY-SJLPKXTDSA-N	00001010100000110000100010000000000000000000000000000000	25-01-114628
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CC[C@H](N2CC(O)C2)C1	ZINC22_2325802711	379.452	WYZBJTHFUQPNOY-WMZOPIPTSA-N	00001010100000110000100010000000000000000000000000000000	25-01-114629
O=C(NC1CC1)c1cc(CC(=O)c2[nH]c3c(c2C)C(=O)N(C3)CC)c(cc1)C	PC-id_58328292	379.452	RRPOPIMPGHPBCT-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-114630
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)COc1ccccc1C	PC-id_92109392	379.452	WGZCRIBTAJZRRW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114631
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)COCc1ccccc1	PC-id_92109548	379.452	UIKOKZQNEKNXHP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-114632
s1c2S/C(=C(/O)c3ccccc3)/C(=O)c2c(N)c1C(=O)c1ccccc1	PC-id_10926981	379.452	BPDFJZQCBHQGNX-KNTRCKAVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114633
s1c2SC(=C(O)c3ccccc3)C(=O)c2c(N)c1C(=O)c1ccccc1	PC-id_85318476	379.452	BPDFJZQCBHQGNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114634
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cnc(SC)[nH]c1=O	EMOLS-id_328008576,MCULE-7995866453	379.454	RRVFIEZNFRDWBA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-114635
c1(sc2c(CCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)NC(=O)C	PC-id_35280785,CoCoCo_6400860,ZINC22_27924361,MCULE-3226197367,EMOLS-id_13109908	379.454	WPXJUHCGPFBWNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114636
Cc1nc(C)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)s1	EMOLS-id_3442535,MCULE-1950724080,ZINC22_6366797,PC-id_4793331,CoCoCo_2900496	379.454	HSHCGSVGXJTYBT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114637
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_8473911,EMOLS-id_16739816,MCULE-6252102657,CoCoCo_3532674	379.454	DEHILMNEYMFDRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114638
CNC(=O)c1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_17166049,MCULE-4456948251,CoCoCo_4288193,PC-id_25496453	379.454	BDWOIJCRDWIBFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114639
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(NS(=O)(=O)C)ccc1	PC-id_27684910	379.454	BWMYWILWIOWVHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114640
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NC)ccc1	PC-id_27684841	379.454	FYJBGRQAITVNTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114641
s1c2c(CCC2)c(c1NC(=O)CSc1[nH]c(=O)ccn1)C(=O)OCC	PC-id_9143464	379.454	ZPMPLGZTFJEYSB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-114642
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCC(CC1)C(=O)[O-]	PC-id_7685570	379.454	ZOTPNGJDNVVCNX-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-114643
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1onc2c1CSC2	PC-id_49719086	379.454	AOJYCNFKUPFVSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114644
C=CC(=O)N1CCC(C(=O)NCc2nnc3n2CCC3)(c2ccccc2)CC1	ZINC22_847311624,MCULE-6263382686	379.455	ZLSJOWABRNDROF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114645
n1c(CNC(=O)CCc2oc(nn2)CCCc2ccccc2)c2c(CCC2)[nH]1	EMOLS-id_20658497,MCULE-8451596670,ZINC22_12306034,Chemmine_34153,CoCoCo_1506901,CoCoCo_1506900,PC-id_42518978	379.455	VTUNGDSQRHLAGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114646
CC(C)(C)c1nn(Cc2ccccc2)cc1CN1Cc2n[nH]cc2[C@@H]1C(=O)O	ZINC22_1875283442	379.456	SHRAJKLEEHSOHP-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114647
CC(C)(C)c1nn(Cc2ccccc2)cc1CN1Cc2n[nH]cc2[C@H]1C(=O)O	ZINC22_1875283443	379.456	SHRAJKLEEHSOHP-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114648
O=C(C1CC1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL14521419,PC-id_71191380	379.456	RKNUJPAQRQQFBK-GOEBONIOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-114649
O=C(C1CCN(CC1)C(=O)C=Cc1ccccc1)NCc1nnc2n1CCC2	MCULE-9411855660,EMOLS-id_26236760,PC-id_72055519	379.456	JXCVOJKWGMTZFO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-114650
O=C([C@@H]1CCN(CC1)C(=O)/C=Cc1ccccc1)NCc1nnc2n1CCC2	CoCoCo_4658140	379.456	JXCVOJKWGMTZFO-HJWRWDBZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-114651
O=C(NCc1nnc2n1CCC2)C1CCN(C(=O)/C=C/c2ccccc2)CC1	CoCoCo_4658139,ZINC22_32906564,PC-id_40143076	379.456	JXCVOJKWGMTZFO-CMDGGOBGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-114652
O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)Nc1nnc2n1CCS2	CoCoCo_2590540,PC-id_22582980	379.457	JHUHAKUMHGCRIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114653
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CC2)c(=O)[nH]n1)C(=O)N	PC-id_9347283	379.457	DTIVDNJHUKNWJX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114654
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C1CC1)C(=O)OC	PC-id_27096156	379.457	YKCADCBPODAFJJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114655
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1)C)C(=O)N)C(=O)OC	PC-id_20173521	379.457	LPAFPYRKJLLWLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114656
s1c2c(CCC2)c(c1NC(=S)Nc1c(nn(c1)C)C(=O)N)C(=O)OC	PC-id_20173680	379.457	VVBDQVIYQSOVOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114657
c1(CN(C)C(=O)NC(c2ccccc2)CCn2cncn2)c2CCCc2[nH]n1	PC-id_121503966,EMOLS-id_177434244,MCULE-3436119032	379.459	LUQKTXAVAZSQMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114658
c1(NC(=O)Cn2cc(cn2)c2cc(C)nc(CCC)n2)n(C)nc2CCCc12	CoCoCo_1416205,ZINC22_23379544,PC-id_31053324,EMOLS-id_24859951,MCULE-2106359811	379.459	QYEJXFLREBGSQQ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-114659
CCOC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)I	PC-id_104287408	414.261	NMTVKAUSOUWYBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129761
CCNC(=NCc1coc(n1)c1ccc(cc1)C)NCc1nnc2n1CCC2	PC-id_111590199	379.459	ZFGDTAGGTBOQIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114660
CN(Cc1n[nH]c2c1CCC2)C(=O)N[C@@H](CCn1cncn1)c1ccccc1	ZINC22_426517833	379.459	LUQKTXAVAZSQMD-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114661
CN(Cc1n[nH]c2c1CCC2)C(=O)N[C@H](CCn1cncn1)c1ccccc1	ZINC22_426517834	379.459	LUQKTXAVAZSQMD-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114662
n12N=C(C(C)(C)C)C(=N[N-]c3[n-]nc(C(C)(C)C)c3[N+]#[C-])c1nnc2C(C)C	PC-id_59247761	379.462	CEBDXJQXOXCDEH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-114663
s1c2c(CCC2)c(c1NC(=O)CCSc1ccc(F)cc1)C(=O)OC	PC-id_7546428	379.469	JOVUICKCNCDPFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114664
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(F)cc1)C(=O)OCC	PC-id_7228802	379.469	CGZFYRYZLBEKRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114665
s1c2c(CCC2)c(c1NC(=O)CSc1c(F)cccc1)C(=O)OCC	PC-id_7484321	379.469	AFCZVYDNZQIPHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114666
C1(CCCC1)(C(=O)OCC)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328153258,MCULE-3269673101	379.47	LHUTWQOOXDDNPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114667
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCC2)c1C(=O)OCCC	TIMTEC209586,SPECS-id_AK-968/40726598,MCULE-1881523790,EMOLS-id_2576010,PC-id_4085009	379.47	IBSWYWFRZRNCFM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114668
CCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_1851875,PC-id_1758291,ZINC22_2103077	379.47	IBSWYWFRZRNCFM-NEPJUHHUSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114669
CCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_1851877,ZINC22_2103075,PC-id_1758287	379.47	IBSWYWFRZRNCFM-RYUDHWBXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114670
CC(C)OC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834399,PC-id_40559137,ZINC22_5727300	379.47	YWSCJWUUMPSIIH-NEPJUHHUSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114671
CC(C)OC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834400,PC-id_40559147,ZINC22_5727310	379.47	YWSCJWUUMPSIIH-NWDGAFQWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114672
CC(C)OC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834402,ZINC22_5727302,PC-id_40559139	379.47	YWSCJWUUMPSIIH-VXGBXAGGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114673
CCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_1758280,CoCoCo_1851876,ZINC22_2103071	379.47	IBSWYWFRZRNCFM-NWDGAFQWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114674
CCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_1758283,CoCoCo_1851878,ZINC22_2103073	379.47	IBSWYWFRZRNCFM-VXGBXAGGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114675
CC(C)OC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_40559145,CoCoCo_6834401,ZINC22_5727308	379.47	YWSCJWUUMPSIIH-RYUDHWBXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114676
CCOC(=O)c1c(NC(=O)CC2(C(=O)O)CCCCC2)sc2c1CCC2	EMOLS-id_44005852,CoCoCo_4359609,ZINC22_13255675,PC-id_24535585,MCULE-7816584401	379.47	VCQHRBYMASQFDI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114677
COC(=O)c1c(NC(=O)CC2(CC(=O)O)CCCCC2)sc2c1CCC2	MCULE-8092165020,ZINC22_32496875,EMOLS-id_36992992,PC-id_39729138	379.47	DUIPKXFKVMJUCP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114678
COC(=O)c1c(NC(=O)CC2(C(=O)O)CCCCCC2)sc2c1CCC2	ZINC22_13249709,EMOLS-id_36992996,PC-id_25738667,MCULE-7949072209	379.47	NKUZITNHDJFSJR-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-114679
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCCCC1)C(=O)OCC	PC-id_5028722	379.47	KUGFCZMZQLPOEV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114680
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC1CCCC1)C(=O)OCC	PC-id_7722312	379.47	BAQSZXURERGGOM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114681
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC1CCCC1)C(=O)OC	PC-id_45686301	379.47	HMOJCSXPUGVAHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114682
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)OC(C)C	MCULE-2424700894,TIMTEC583565,PC-id_17378790,EMOLS-id_4057069	379.471	YWSCJWUUMPSIIH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114683
COc1ccc(c2cc(NC(=O)c3cc4c(s3)CCC4)ccc2OC)cc1	CoCoCo_3946393,PC-id_9369817,MCULE-9103704899,ZINC22_8241452,EMOLS-id_11866842	379.472	BXYLCZWOVSKUFW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-114684
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1ccccc1)C	PC-id_4679889	379.472	XHGVNCNCRBECSQ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-114685
c12c(CCC1C(=O)OCC)sc(NC(=O)C1C(C(C)(C)C)CNC1=O)n2	EMOLS-id_170731336,MCULE-8730389869	379.474	VJLHVUUNQKJSNE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114686
c1(NC(=O)CCNC(=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5228241479,EMOLS-id_334337186	379.474	GXIGKHHDOTWOKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114687
c1(NC(=O)CN2CCCN(C(=O)C)CC2)sc2c(CCC2)c1C(=O)OC	MCULE-8646661411,ZINC22_19797182,CoCoCo_6964663,TIMTEC21709,SPECS-id_AO-476/43415762,PC-id_25021113,EMOLS-id_24631407,CoCoCo_6964662	379.474	RSKLQUYMQDPZGK-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-114688
CCOC(=O)C1CCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	CoCoCo_3567778,MCULE-2368190542,CoCoCo_3567777,PC-id_17549813,EMOLS-id_48931951,ZINC22_9155590	379.474	OFUJNFMBCFHBAO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114689
CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)C)CC2)sc2c1CCC2	ZINC22_48614014,PC-id_2697578,MCULE-1053903564,EMOLS-id_48931747	379.474	HXPOPMMJUXDZEF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114690
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3C(=O)NC[C@H]3C(C)(C)C)nc12	ZINC22_585149849	379.474	VJLHVUUNQKJSNE-CKYFFXLPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114691
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3C(=O)NC[C@H]3C(C)(C)C)nc12	ZINC22_585149850	379.474	VJLHVUUNQKJSNE-FOGDFJRCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114692
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3C(=O)NC[C@@H]3C(C)(C)C)nc12	ZINC22_585149851	379.474	VJLHVUUNQKJSNE-JFGNBEQYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114693
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3C(=O)NC[C@@H]3C(C)(C)C)nc12	ZINC22_585149852	379.474	VJLHVUUNQKJSNE-SCVCMEIPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114694
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C1OCCO1)C(=O)N	PC-id_56412757	379.474	KQRVCAAFYYKFKU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114695
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)OCC)C(=O)N	PC-id_46800891	379.474	GLMHOIJFGSUJDM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114696
s1c2c(CCC2)c(c1NC(=O)CN1C[C@@H](CCC1)C(=O)OCC)C(=O)N	PC-id_8533290	379.474	GLMHOIJFGSUJDM-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114697
CCOC(=O)C1CCc2c1nc(s2)Nc1ccccc1I	PC-id_104287411	414.261	GJZRNJJFIAYIMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129762
s1c2c(CCC2)c(c1NC(=O)CN1C[C@H](CCC1)C(=O)OCC)C(=O)N	PC-id_8533293	379.474	GLMHOIJFGSUJDM-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-114698
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N1CCCC1)C)C(=O)OC	PC-id_38269285	379.474	MXWNYRSAZNNDDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114699
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC1CC1)C)C(=O)OCC	PC-id_9053085	379.474	BOETXEXIKBBWLV-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-114700
c1(c2CCCc2sc1NCc1ccccn1)C(=O)Nc1ccc(cc1)OC	ZINC22_798213,PC-id_1082682,CoCoCo_345099,EMOLS-id_1476185,MCULE-1843305990,BAS-06100827	379.475	RSVJERYFDJHENX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-114701
c1(c2CCCc2sc1NCc1cccnc1)C(=O)Nc1ccc(cc1)OC	ZINC22_798215,EMOLS-id_1476189,BAS-06100831,CoCoCo_345101,MCULE-6816134702,PC-id_1082684	379.475	OYFBFKPQXDRZTP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-114702
c1(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)sc2c(CCC2)c1C#N	EMOLS-id_322627136,MCULE-1532383682	379.475	JMXFXFCHUJDEOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114703
c1(NC(=O)Cc2ccc(cc2)OCc2ccccc2)n(C)nc2CSCc12	EMOLS-id_334562483,MCULE-8461112381	379.475	ZJAPFUVUFVLHFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114704
c1(NC(=O)C(=Cc2ccc(cc2)C(C)C)C#N)sc2c(CCC2)c1C(=O)N	MCULE-1371577174,PC-id_4525173	379.475	FBXBMWPASTZZBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114705
Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1C	ZINC22_69610423,PC-id_95306149	379.475	YZSDVCPWGBEAMN-CQSZACIVSA-N	00000010100000110000100010000000000000000000000000000000	25-01-114706
Cc1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1C	ZINC22_69610426,PC-id_95306150	379.475	YZSDVCPWGBEAMN-AWEZNQCLSA-N	00000010100000110000100010000000000000000000000000000000	25-01-114707
CC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1C	EMOLS-id_328224376,MCULE-4867340288	379.475	NLYRLJWXGVGRDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114708
COc1ccccc1NC(=O)c1c(NCc2cccnc2)sc2c1CCC2	CoCoCo_2720360,PC-id_4689708	379.475	FHJVAWDMPMIQTB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-114709
N#Cc1c(NC(=O)C2CC(=O)N(C2)c2cccc(c2C)C)sc2c1CCC2	MCULE-8861653832,PC-id_71944741,EMOLS-id_45631565	379.475	YZSDVCPWGBEAMN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-114710
N#C/C(=C/c1ccc(cc1)C(C)C)/C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_6302895	379.475	FBXBMWPASTZZBF-GDNBJRDFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114711
N#C/C(=Cc1ccc(cc1)C(C)C)/C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_1564406,EMOLS-id_26648242,CoCoCo_6302894	379.475	FBXBMWPASTZZBF-XNTDXEJSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114712
c12SCCn1cc(CNC(=O)N1CCCN(CC1)C(=O)C1CCCO1)n2	PC-id_119073086,MCULE-8128524190,EMOLS-id_82738727	379.477	UYKYJXRJOMTJIA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-114713
c1(NC(=O)C(=O)N2CCC(CC2)C(=O)N)c2CSCc2nn1C(C)(C)C	ZINC22_5438084,MCULE-8268927800,PC-id_7685458,CoCoCo_5184679,EMOLS-id_5617852	379.477	GUBCUMIPXLZZOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114714
c1(NC(=O)C(=O)N2CCN(CC2)C(=O)C)c2CSCc2nn1C(C)(C)C	CoCoCo_5184731,MCULE-3773793931,ZINC22_5438372,EMOLS-id_5617940,PC-id_7685586	379.477	YHDDPMIVTCCGJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114715
c1(NC(=O)CSc2scc(CC(=O)O)n2)sc2c(CCC2)c1C#N	MCULE-7605845287,EMOLS-id_324878182	379.477	HYLZWSUPZFDABJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114716
O=C(N1CCN(CC1)C(=O)C1CCCO1)NCCc1cn2c(n1)SCC2	EMOLS-id_99886736	379.477	QLEMCUIFTLEGJJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114717
O=C(NCc1cn2c(n1)SCC2)N1CCCN(C(=O)[C@@H]2CCCO2)CC1	ZINC22_426678189	379.477	UYKYJXRJOMTJIA-AWEZNQCLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-114718
O=C(NCc1cn2c(n1)SCC2)N1CCCN(C(=O)[C@H]2CCCO2)CC1	ZINC22_426678191	379.477	UYKYJXRJOMTJIA-CQSZACIVSA-N	00000010100000000101000010000000000000000000000000000000	25-01-114719
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)N(C)C)C(=O)N	PC-id_55682545	379.477	BQLJIKVVOJPTCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114720
c12SCCn1cc(CNC(=O)c1cccc(c1)c1c(CC)cnc(C)n1)n2	EMOLS-id_177460385,PC-id_121507248,ZINC22_426571651,MCULE-4235123596	379.479	RCDJFYJHTRHLDX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114721
Cc1ccc(Sc2ncccc2C(=O)NCc2nnc3n2CCC3)cc1C	ZINC22_12763435,EMOLS-id_18830605,PC-id_25492957,CoCoCo_4651284,MCULE-3447416770	379.479	SUXFUJOJHUSGGC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114722
CCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)CC	SCHEMBL10818932,PC-id_20253951	379.492	GUQWAZWIOYVSQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114723
CCC(N1Cc2c(S1(=O)=O)cc(s2)CCCc1ccccc1)C(=O)O	PC-id_70995061,SCHEMBL13786859	379.494	DLVNHSMTNCPIRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114724
COC(=O)c1c(NS(=O)(=O)c2c(C)cc(C)cc2C)sc2c1CCC2	ZINC22_408617523	379.494	GUNSEPRCVJQWNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114725
s1c2c(CCC2)c(c1NC(=O)C(SCc1occc1)C)C(=O)OCC	PC-id_23856925	379.494	YMAZMEPTMAKNMD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-114726
O=C1N(C(c2c1c(n(c2C)C)C)C(=O)NC1CCCCC1)Cc1ccccc1	ChEMBL-DNDi_CHEMBL1345697,PC-id_5213974,CHEMBL1345697	379.495	ZASFZKQGAKTRCC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-114727
O=C([C@H]1N(Cc2ccccc2)C(=O)c2c1c(C)n(c2C)C)NC1CCCCC1	CoCoCo_2684335	379.495	ZASFZKQGAKTRCC-NRFANRHFSA-N	00000010100010110000000010000000000000000000000000000000	25-01-114728
O=C([C@@H]1N(Cc2ccccc2)C(=O)c2c1c(C)n(c2C)C)NC1CCCCC1	CoCoCo_2684336	379.495	ZASFZKQGAKTRCC-OAQYLSRUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-114729
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCC(=O)c1ccccc1	PC-id_92109680	379.495	ZGZNIYCBMHTXEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114730
s1c2C[NH+](Cc2cc1C(=O)NCc1ccc(OC)cc1)Cc1ccccc1	PC-id_3703371	379.495	OZCHZMLBAZQQGR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114731
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CC(=O)N1CCCCC1	EMOLS-id_186578953,MCULE-1390207484	379.497	ZMMRCBLDJJWHIY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114732
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CC(=O)NC1CCCC1	EMOLS-id_186585192,MCULE-7818482997	379.497	QZUYTHSCODLDLH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114733
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc2c(s1)CCC2	ZINC22_266347592	379.497	NGPKWUYMDCPMKZ-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-114734
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc2c(s1)CCC2	ZINC22_266347594	379.497	NGPKWUYMDCPMKZ-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-114735
CC([C@@H]1NCc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C	PC-id_117688955,SCHEMBL16224800	379.497	BCACMDCAAUOOTI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114736
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	PC-id_25567230,EMOLS-id_24125129,CoCoCo_4164252,ZINC22_12871609,MCULE-3869261880	379.497	OPCXYTVEAQOAEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114737
CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cc3c(s2)CCC3)cn1	ZINC22_328617838	379.497	DCRGGNAHOWOCCJ-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114738
CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2cc3c(s2)CCC3)cn1	ZINC22_328617839	379.497	DCRGGNAHOWOCCJ-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114739
CCn1ncc(c1)C1CS(=O)(=O)CCN1C(=O)c1sc2c(c1)CCC2	EMOLS-id_112036251,MCULE-6860772998	379.497	DCRGGNAHOWOCCJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114740
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	ZINC22_15636398,PC-id_24247706,CoCoCo_4164029,EMOLS-id_17212452,MCULE-9261961011	379.497	SIZFEXRBFNKEIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114741
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	PC-id_26723107,CoCoCo_4164079,MCULE-3048881228,EMOLS-id_18813793,ZINC22_15636450	379.497	HXYBOAWMANKCGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114742
O=C(c1sc2c(c1)CCC2)Nc1c(C)nn(c1C)C1CCS(=O)(=O)C1	PC-id_139005094,MCULE-5675010355,EMOLS-id_320394022	379.497	NGPKWUYMDCPMKZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-114743
O=C(Nc1nc2c(s1)CN[C@H]2C(C)C)Cc1ccc(cc1)S(=O)(=O)C	PC-id_117688921,SCHEMBL16224753	379.497	HSMMZVOIONSZAS-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114744
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)ccn1)C(=O)OC	PC-id_24381323	379.497	NISWWTAVOWLMGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114745
s1c2c(CCC2)c(c1NC(=S)Nc1noc(C(C)(C)C)c1)C(=O)OC	PC-id_19687497	379.497	QJKSFBIIPQCUEW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114746
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)NC(CC)C)cc1	PC-id_46564999	379.497	ZXIQHDMYMCIDMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114747
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(c(c1)C)C	PC-id_33039988	379.497	PXXYVPHREIDRIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114748
s1c2CCCc2nc1NC(=O)CCNS(=O)(=O)c1cc(c(cc1)C)C	PC-id_33039010	379.497	BNTRHYDMJMPWAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114749
s1c2CCCc2nc1NC(=O)CCNS(=O)(=O)c1c(ccc(c1)C)C	PC-id_33039172	379.497	JPDVXACSGOHZSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114750
S(=O)(=O)(NC(C)(C)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_33040770	379.497	XKKGSWRLXCSNQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114751
S(=O)(=O)(N(C(C)C)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_41363678	379.497	JBTMRQMCMSUSOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114752
c1(NC(=O)c2cccc(c2)c2sc(c(C)n2)C)sc2c(CCC2)c1C#N	MCULE-3106789911,EMOLS-id_322837946	379.498	ZAASKJVWFKXBLC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114753
c1(NC(=O)c2cnc(c3ccc(cc3)CC)s2)sc2c(CCC2)c1C#N	MCULE-9834550480,EMOLS-id_322835642	379.498	VSEKROKSLLXWRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114754
CC(C)c1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	EMOLS-id_45970248,ZINC22_27021925	379.498	FZCPJGOAEPWONS-LWINHUFBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-114755
CSc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324838137	379.498	AKKBHLMPOJITRG-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114756
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)C=Cc1cccs1	MCULE-7760432650	379.498	FZCPJGOAEPWONS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-114757
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)CCc1ccccc1	MCULE-9661445639	379.498	AKKBHLMPOJITRG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114758
CCNC(=NCc1nnc2n1CCC2)NCC(NC(=O)OC(C)(C)C)(C)C	PC-id_111771866	379.5	MOOWFOLUWMAXQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114759
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(C(C)C)cnn1)C)C(=O)N	PC-id_8292623	379.5	BTFCGBJAAZXMEJ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-114760
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(C(C)C)cnn1)C)C(=O)N	PC-id_8292624	379.5	BTFCGBJAAZXMEJ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114761
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(C(C)C)cnn1)C)C(=O)N	PC-id_78657024	379.5	BTFCGBJAAZXMEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114762
CN=C(N1CCN(CC1)CC=Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_111218621	379.502	VSXYHJJRWLYIPT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-114763
O=C(N1CCN(CC1)c1snc(n1)N)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003825	379.504	FIDRMTZNIUGPIJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114764
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCCOC(C)C	PC-id_52451287	379.514	FFRVTZVBLNHOAV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-114765
c1(NC(=O)CN2CCN(CC2)CCC)sc2c(CCC2)c1C(=O)OCC	PC-id_6464911,MCULE-4973001484,ZINC22_20595122,CoCoCo_1043149,TIMTEC170829,EMOLS-id_2288077,CoCoCo_1043150,ChEMBL-DNDi_CHEMBL9043423	379.517	GKHXIUKKEZCSSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114766
c1(sc2c(CCC2)n1)NC(=O)[C@H]1CC[C@@H](CC1)CNC(=O)OC(C)(C)C	EMOLS-id_323423688,MCULE-4486980203	379.517	KFJBUROACKUCQO-JOCQHMNTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114767
CC(N1Cc2c(C1)cc(s2)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C	PC-id_53171023	379.517	ZLHUMHJEOJWPKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114768
CCOC(=O)c1c(NC(=O)CCN2CCN(CC)CC2)sc2c1CCC2	ZINC22_22036384,EMOLS-id_48970955,CoCoCo_3742150,PC-id_2325400,CoCoCo_3742149,MCULE-6066442618	379.517	WKEBCLCHOCABCN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114769
O=C(C1(CCCCC1)C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110450729	379.517	URZJUWCZUJSNMH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114770
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccsc1)C)C(=O)OCC	PC-id_9054586	379.517	GFSCJESYRWYTOH-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-114771
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)C)C(=O)OCC	PC-id_8965895	379.517	XOIBXBBCEKHAIZ-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-114772
c1(n(c2c(n1)CCC2)Cc1ccccc1)[S+](Cc1c(N(C)C)cccc1)[O-]	BindingDB_PC-id_10809750,CHEMBL158003,PC-id_10809750	379.518	WALYBKQOPZHTQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114773
CC(C)(C)c1csc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	EMOLS-id_328223870,MCULE-5592908710	379.518	KWRNXEOPOYZVES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114774
N#Cc1c(NC(=O)CN2CCC(Cc3ccccc3)CC2)sc2c1CCC2	CoCoCo_3567261,EMOLS-id_3451935,CoCoCo_3567260,PC-id_4799840,ZINC22_6790153,MCULE-4726192027	379.518	FMKWLENFRLIIMQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-114775
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)c1ccccc1)C#N	PC-id_52561562	379.518	OJTAKTFXIQNDDQ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-114776
s1c2CCCc2c(c1NC(=O)CCN(CCc1ccccc1)CC=C)C#N	PC-id_56173684	379.518	JPIGXVPROYXGIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114777
CC(CNC(=O)N1CCCC(C1)C(=O)NCCc1cn2c(n1)SCC2)C	EMOLS-id_99834445	379.52	IZNRCSHVYSMFGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114778
C[C@@H]1CN(CCN1C(=O)NCCc1cn2c(n1)SCC2)C1CCOCC1	EMOLS-id_100650863	379.52	PPHIFSIZIWAVHY-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114779
C[C@H]1CN(CCN1C(=O)NCCc1cn2c(n1)SCC2)C1CCOCC1	EMOLS-id_100652801	379.52	PPHIFSIZIWAVHY-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114780
CC(NC(=O)CN1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_101999967	379.52	ROSACTZYKAIVRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114781
CCN(C(=O)N1CCC(CC1)C(=O)NCCc1nc2n(c1)CCS2)CC	EMOLS-id_99821023	379.52	IFKUPZGUMZTHOL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114782
CCN(C(=O)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)CC	EMOLS-id_102000051	379.52	ANCCSARSQQZPTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114783
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)CC(=O)N(C)C	EMOLS-id_102003612	379.52	FQWJXAFUYVUKHV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114784
s1c2CCCc2c(c1NC(=O)CSc1sc(NCCC)nn1)C#N	PC-id_8910452	379.523	VGSZIFWJNRHLPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114785
CC1(C)CC(CC(C)(C)N1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9069296138,EMOLS-id_328215924	379.538	SQALYQNWPKYNAH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-114786
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)C(C)(C)C	PC-id_92109755	379.538	HDHLTMDZZADTCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114787
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1ccc(cc1)C(C)C	PC-id_92109967	379.538	KQNHNUIQWMWIPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114788
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCCCc1ccccc1	PC-id_92109933	379.538	RCUANAGYNFJIFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114789
Cc1cc(cc(c1C)S(=O)(=O)NCc1cn2CCSc2n1)C(C)(C)C	ZINC22_1506395502,EMOLS-id_316210086,MCULE-2709099723	379.54	JBUKACNVBFUBRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114790
O=C(NC[C@]1(CCC[C@H](C1)C)[NH+](C)C)NNC(=O)c1sc2c(c1)CCC2	GD-id_ZINC52588583	379.54	OFPYSYRTKRKKQX-BFUOFWGJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-114791
[Si]([N+]1=Cc2n(C1)c(cc2)C)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_23380210	379.549	BKGVMGIGOWUGEJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-114792
C[SiH2]OC(C(CC(Cn1nc2n(c1=O)CCC2)(F)F)(C)C)O[SiH2]C	SCHEMBL4298007	379.55	VPEZVVGEQZHCRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114793
c1(NC(=O)CCCCCCCCCCC)sc2c(CCC2)c1C(=O)OC	SCHEMBL17817432,PC-id_5053734,MCULE-8377140110,EMOLS-id_30100001,ZINC22_103000249	379.557	RBBAXMVFCCVBHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114794
CC(CCCC(C)C)CCOCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL19721789	379.557	USCCDQDXFLBPPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114795
s1c2c(CCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)OCC	PC-id_4351051	379.557	BARIWEQSDGNDIM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114796
c1(NC(=O)C2CCC(CC2)CCCC)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-5569494753,EMOLS-id_4933823,PC-id_2160289	379.56	RSZZBFVTHVZEDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114797
CCCCC1CCC(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)CC1	ZINC22_2724922,PC-id_11877672	379.56	RSZZBFVTHVZEDD-JZOGHIHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114798
CCCCC1CCC(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)CC1	ZINC22_4105939,PC-id_11863827	379.56	RSZZBFVTHVZEDD-PEOFPKNDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114799
CCCC[C@@H]1CC[C@H](CC1)C(=O)Nc1n(nc2c1C[S@](=O)C2)C(C)(C)C	CoCoCo_4985105	379.56	RSZZBFVTHVZEDD-USBFQFRLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114800
CCCC[C@@H]1CC[C@@H](CC1)C(=O)Nc1n(nc2c1C[S@](=O)C2)C(C)(C)C	CoCoCo_4985106	379.56	RSZZBFVTHVZEDD-JZXAWVDUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114801
CCCC[C@@H]1CC[C@H](CC1)C(=O)Nc1n(nc2c1C[S@@](=O)C2)C(C)(C)C	CoCoCo_4985107	379.56	RSZZBFVTHVZEDD-OXWSONJVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114802
CCCC[C@@H]1CC[C@@H](CC1)C(=O)Nc1n(nc2c1C[S@@](=O)C2)C(C)(C)C	CoCoCo_4985108	379.56	RSZZBFVTHVZEDD-CFAZGSRYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114803
Clc1c(F)cc(NC(=O)C(=O)NC2C(N=C(N)N)Cc3[nH]cnc23)cc1	PC-id_78129332	379.777	HAKZADNTUZQIJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114804
Clc1c(F)cc(NC(=O)C(=O)N[C@@H]2[C@@H](N=C(N)N)Cc3[nH]cnc23)cc1	SCHEMBL15036531,PC-id_71603455	379.777	HAKZADNTUZQIJO-CMPLNLGQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114805
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCC2)c1C(=O)NC	MCULE-5873937709,EMOLS-id_334328285	379.818	OEQXIJYPULEYRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114806
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330844,MCULE-2008519192	379.818	FHNLFVCABFQKLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114807
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334335954,MCULE-1941972336	379.818	UARIIYFYSOTDFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114808
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCC2)c1C(=O)NC	PC-id_7475019,ZINC22_5055719,EMOLS-id_30116655,MCULE-3365454767,CoCoCo_5058643	379.818	NGJRJWILGPGLHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114809
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334334417,PC-id_7475039,MCULE-6250074988	379.818	RJLQXHIOXVORAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114810
Clc1cc(ncc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_8904945	379.818	GUGKREQROXAIAT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114811
Clc1nccc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_24524544	379.818	GNLLPMBUHVZJEL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114812
Clc1ncc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_3896736	379.818	LVDFCYLFOASYCS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114813
NC(=O)c1c(NC(=O)COC(=O)c2cccnc2Cl)sc2c1CCC2	PC-id_3248519,ZINC22_6064472,MCULE-2379457145	379.818	JZYUBZRCJDEQCT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-114814
Clc1c(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(F)ccc1	PC-id_5219631	379.833	CWMTVUKGJRVMRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114815
Clc1c(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(F)ccc1	PC-id_6305125	379.833	CWMTVUKGJRVMRV-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114816
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(c(Cl)c2)F)C1	EMOLS-id_323354807,MCULE-2868371082	379.836	WNTALKDQUCMGSV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114817
c1(Cl)c(ccc(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c1)OC	EMOLS-id_327934573,MCULE-7901775698	379.858	LSPZTEZUGMOSLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114818
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5357358,MCULE-3133830257,CoCoCo_1739613,PC-id_4191786	379.858	RLKCENRGSIDPQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114819
c1(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	MCULE-4956141783,PC-id_2931387,TIMTEC67074,EMOLS-id_2441220	379.858	AYSUHDDCVJROGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114820
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCC2)c1C(=O)OC	ZINC22_622099,TIMTEC105210,EMOLS-id_602661,Chemmine_21420,CoCoCo_746375,ChEMBL-DNDi_CHEMBL3130-1306,MCULE-6234944101,PC-id_978379,SPECS-id_AT-225/NB59446	379.858	COYDBMVJQTZGKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114821
c1(NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1690267,PC-id_985936,MCULE-1757043997,ZINC22_633165,EMOLS-id_1067034	379.858	ATILXDORYSZHTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114822
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	ZINC22_633628,MCULE-1618563110,CoCoCo_4971327,PC-id_986272,EMOLS-id_648890,TIMTEC143597	379.858	FFWGGWISEVNJFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114823
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_603933,SPECS-id_AT-225/NB60114,ChEMBL-DNDi_CHEMBL5986169,TIMTEC21713,MCULE-1744207076,ZINC22_622526,PC-id_978655,TIMTEC402505,CoCoCo_725354,SPECS-id_AF-399/13428278	379.858	QITXDVUNXUWCMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114824
c1(NC(=O)COc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_1637851,MCULE-1906875194	379.858	XBRMQYUPDRJCRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114825
Clc1ccc(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_4943945	379.858	PGKVLRJHKBXHRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114826
Clc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)ccc1OC	PC-id_8359226	379.858	TWCIDUXCKXRQOJ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-114827
Clc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)ccc1OC	PC-id_8359228	379.858	TWCIDUXCKXRQOJ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114828
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc1OC	PC-id_78674850	379.858	TWCIDUXCKXRQOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114829
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)c(OC)cc1	MCULE-8678551401,PC-id_4855687,EMOLS-id_3466518	379.858	MVXLIJSVZUOEGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114830
Clc1c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	PC-id_4931965	379.858	MNXSKKIKVIDSPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114831
COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2	PC-id_7623709,ZINC22_5308390,CoCoCo_2840835	379.858	MVXLIJSVZUOEGC-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-114832
COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2	ZINC22_5308392,CoCoCo_2840834,PC-id_7623711	379.858	MVXLIJSVZUOEGC-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114833
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_3416751,PC-id_2535796,EMOLS-id_3364757,MCULE-4889095253,CoCoCo_2840942	379.858	PJZPHLFOVQVZGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114834
COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCC2	PC-id_2179146,CoCoCo_898068,ZINC22_1111716	379.858	AYSUHDDCVJROGA-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-114835
COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCC2	ZINC22_2819019,CoCoCo_898067,PC-id_1290040	379.858	AYSUHDDCVJROGA-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114836
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCOC)cc1	PC-id_16947365	379.861	BJZVLCXKERKZMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114837
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324917262	379.863	LHIAGSWRZQFOOX-ATRNFBLSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114838
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_45965903,ZINC22_16750616	379.863	MMSDPZXEVPQEJF-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-114839
Cc1ccc(/C=C/c2nc3s/c(=C/c4ccc(Cl)cc4)/c(=O)n3n2)cc1	ZINC22_39835398	379.863	MMSDPZXEVPQEJF-OENGIGCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114840
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4222808643	379.863	XKCRCTDBYLZJQQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114841
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)C=Cc1ccc(cc1)C	MCULE-7628973856	379.863	LHIAGSWRZQFOOX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114842
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)C=Cc1ccc(cc1)C	MCULE-9816873281	379.863	MMSDPZXEVPQEJF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114843
n12nc(nc1sc(=Cc1cccc(Cl)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-2500837521	379.863	JDWVQYRXDRATMD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114844
c12SCCn1cc(CNC(=O)Nc1ccc(c(Cl)c1)C(=O)NCC)n2	EMOLS-id_68904240,MCULE-3093739139,PC-id_118777031,ZINC22_299785068	379.864	QBAKGIXDZMRCRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114845
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1ncc(s1)C=C(C)CCl	PC-id_88569822	379.864	RNNHYQZOJJIABC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114846
ClC/C(=Cc1cnc(s1)NC(=O)Cn1cnc2c1C(=O)C(N2C)C)/C	SCHEMBL10128987	379.864	RNNHYQZOJJIABC-WTKPLQERSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114847
Clc1c(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)c(F)ccc1	PC-id_44060380	379.879	VRVKWIJZKWIRCG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-114848
c1(NC(=S)NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)N	CoCoCo_661266,ZINC22_2901797,EMOLS-id_4057416,MCULE-2054354323,PC-id_2250029,CK1675686	379.884	CWWDUCFRJAUOSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114849
CC[N+]1(C)Cc2c(C1)sc(c2C(=O)N)NC(=O)Nc1ccc(cc1)Cl	PC-id_118307313,SCHEMBL18902137	379.884	ORJUZWXLUFPOJA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-114850
NC(=O)c1c(NC(=S)NC(=O)c2cccc(Cl)c2)sc2c1CCC2	PC-id_4504718,ZINC22_6861984	379.884	XSIMIWZKDRIGOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114851
NC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_6883007,PC-id_4504954	379.884	OZBIYLGREOSUQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114852
c1(c(Cl)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCC2)c1C#N	PC-id_7029099,SPECS-id_AK-968/41025039,EMOLS-id_4057422,TIMTEC601783,ZINC22_2797206,MCULE-9544899043,CoCoCo_5837566	379.888	ZRDKJSXFXXLSFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114853
Cc1csc2nc(Cl)c(/C=c/3sc4nc(nn4c3=O)C(C)(C)C)n12	EMOLS-id_324852963	379.888	ITXVLLKVCMUYRH-UITAMQMPSA-N	00000000100000000001000110000000000000000000000000000000	25-01-114854
CC(C)Cc1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324859104	379.888	XWKICRLFRQOXFY-YHYXMXQVSA-N	00000000100000000001000110000000000000000000000000000000	25-01-114855
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1I)Cl	PC-id_107638533	420.653	BRDXAAQVYYBAAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132545
CC(=NC(=O)N1CCC(C1)C(C)(C)Nc1c2CCCn2nc1)N=C(N)Cl	SCHEMBL20026884,PC-id_134396180	379.888	UMIPZIYSGFKOKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114856
n12c(=O)c(=Cc3c(Cl)nc4scc(C)n34)sc1nc(C(C)(C)C)n2	MCULE-1386478361	379.888	ITXVLLKVCMUYRH-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-114857
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CC(C)C	MCULE-3343301465	379.888	XWKICRLFRQOXFY-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-114858
C/C=C(C1=C(C)c2n(C1CCC1(F)CCC(CC1)CC(=O)N)cnc2)/Cl	PC-id_142610970	379.899	NDYSKHKYJOQMHG-CRKCGEKBSA-N	00000011100010000001000010000000000000000000000000000000	25-01-114859
CCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(s1)Cl	SCHEMBL11662138,PC-id_20356078	379.901	MSVYTFZKRZTOSN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114860
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)n(C)nc2CSCc12	MCULE-6220931798,EMOLS-id_334562749	379.904	RLSMZTANMZYFMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114861
Clc1ccc(cc1)C1CCCCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100222237	379.904	PARUHXISALVXLZ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-114862
Clc1ccc(cc1)C1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100343178	379.904	KIFOOFQCWHZAOY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114863
Clc1cccc(c1)C1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100367937	379.904	KWATZGAXLRVCIB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114864
ClCC(=O)N(Cc1ncc2n1CCC2SCc1ccc(cc1)OC)C	PC-id_139819159	379.904	NQKMHACDKFPHBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114865
CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1	CoCoCo_3685983,EMOLS-id_12019514,CoCoCo_3685982,PC-id_17437372,MCULE-9822852307,ZINC22_8727745	379.927	RWSULLKCWANCTK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114866
Clc1ccc(CCNC(=S)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_9153624	379.927	QOPVSVUECAUXSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114867
Clc1c(NC(=S)NNC(=O)c2sc3CCCc3c2)c(cc(c1)C)C	PC-id_8417667	379.927	SIEFLYBFPMOHSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114868
Clc1sc(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_24589260	379.927	XWGMGXAUSLEAOD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114869
CC1CC2=C(C1=O)SC(=C2Br)CC3CC4=C(C3=O)SC=C4	PC-id_148158615	379.954	KAFYBPFUXCOQQN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114870
Cn1nc2c(c1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)CCC2	ZINC22_58430057,PC-id_51127314	380.057	SRBNIJBYMAAKQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114871
CC(C)(C)OC(=O)N1C=CC2=C1C(=O)N(C2)CC3=CC(=C(C=C3)Cl)Cl	PC-id_164682650	380.069	BDVAHQYPAWEKMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114872
CCOC(=O)C1=C2CCCN2C(=C1Cl)C(=O)C(=O)N[C@@H](C)C(F)(F)F	PC-id_154663337	380.075	DOHDDRSGSWQVLQ-ZETCQYMHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114873
CCOC(=O)C1=C2CCCN2C(=C1Cl)C(=O)C(=O)N[C@H](C)C(F)(F)F	PC-id_154663338	380.075	DOHDDRSGSWQVLQ-SSDOTTSWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114874
Fc1cc(Br)c(cc1C(c1sc2c(c1)CCC2)Cl)Cl	PC-id_113712367	380.103	TVXAAQVSTMSWCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114875
Ic1ccc(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_5244287	427.257	YKJJDNRCRUENLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134807
O=C(c1c(Br)nc2n1CCC2)NCc1onc(n1)C(F)(F)F	EMOLS-id_278335405	380.121	STSMSCCCIZRDKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114876
CC(C(=O)C1=CC=CS1)C(=O)NC2=NNC3=C2CN(C3)CC4=CC=CC=C4	PC-id_153873222	380.131	VWBKKDCENOYDNJ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-114877
CC1(C2=C(CN1CC3=CC(=CC=C3)Cl)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164626623	380.14	KONMTNBZGWDKRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114878
Clc1cc(cc(c1)Cl)CN1CCn2c1c(C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740174	380.149	OCIQBESMWNGEOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114879
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)Cl)Cl	SCHEMBL18740134	380.149	LGHHGRNLIBRQQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114880
[Se]1Cc2c(C1)c([se]c2C(=O)OCC)C(=O)OCC	PC-id_13350176	380.157	PGJSGPAPEQDYNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114881
CC(C)(C[N+]#[C-])OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@H]2C(=O)O	PC-id_164102803	380.174	QRPJUUSZUYKJJE-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114882
CC(C)(C[N+]#[C-])OCCC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)O	PC-id_161780977	380.174	QRPJUUSZUYKJJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114883
n12nc(nc1sc(=Cc1cc(Br)ccc1OC(=O)C)c2=O)C	MCULE-1430930419	380.216	GAGSUGFXPZPFID-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114884
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)C)C	PC-id_153600117	380.221	NENCMBRRQFVKJP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114885
Brc1cc(oc1)C(=O)c1n2c(C(CC2)C(=O)OC(C)C)cc1C	SCHEMBL11661386,PC-id_20356143	380.233	MGZKNUMZWJLKIL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-114886
Brc1oc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2C)cc1	SCHEMBL11661647,PC-id_20356064	380.233	PMSLWVRSHXKRPR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-114887
c1(C(=O)Nc2c(OC)cc(c(Br)c2)OC)c2CCCc2n(C)n1	PC-id_84467415,MCULE-1570169594,EMOLS-id_320480780	380.236	PMKVZKKCOAIZKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114888
CCOC(=O)c1c2NC[C@H](n2nc1Br)COCc1ccccc1	SCHEMBL18758635,PC-id_137179079	380.236	PILAJHCMQPXGHR-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114889
CCOC(=O)c1c2NCC(n2nc1Br)COCc1ccccc1	SCHEMBL18758757,PC-id_137179086	380.236	PILAJHCMQPXGHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114890
Brc1cc(c(NC(=O)NCc2n3CCCc3nn2)c(OC)c1)C	PC-id_60563239	380.24	CSJFEPXTXNYNJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114891
Brc1cn(CCC(=O)NCCc2n3CCCc3nn2)c(=O)cc1	PC-id_60559747	380.24	XIKLRUAJGSBBGQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114892
O=C(c1c(Br)nc2n1CCC2)Nc1cnn(c1)C1CCCCO1	EMOLS-id_278978280	380.24	WQEQHVHUSGIANV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-114893
CCN(CC)c1nc(c(cc1)N=C1C(=Nn2c1nnc2CN1CCCC1)C)C	PC-id_163995720	380.244	UENAHKREQWJWBT-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-114894
c12CN(Cc1sc(I)c2CN)C(=O)OC(C)(C)C	MCULE-5449843293,EMOLS-id_331066661	380.245	HPLAXSRHFULOMY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-114895
Brc1ccc(cc1)C(C(=O)O)NC(=O)c1sc2c(c1)CCC2	MCULE-2343118323,EMOLS-id_72224542,PC-id_119197831	380.256	IUFPCPTXQHVZDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114896
BrC1=CC(=CNc2sc3c(CCC3)c2C(=O)OC)C(=O)C=C1	PC-id_23825205	380.256	KBMWRUMHDCEICY-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-114897
Brc1ccc(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_5111351	380.256	HUHOMPIMEUNAKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114898
Brc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1	PC-id_4540624	380.256	YNSGVMOVGPGBBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114899
Brc1c(NC(=O)COC(=O)c2sc3CCCc3c2)cccc1	PC-id_3611866	380.256	KTWBBBXJCHYVKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114900
c1(NC(=O)c2cccc(Br)c2)sc2c(CCC2)c1C(=O)OC	PC-id_1661252,MCULE-4177376325	380.256	GERLSUROHBVMOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114901
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OC	TIMTEC74036,ZINC22_622239,PC-id_978449,EMOLS-id_603041,Chemmine_6982,CoCoCo_725633,MCULE-7755896311,SPECS-id_AT-225/NB59658	380.256	BGHDNTUHIVHURH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114902
c1(NC(=O)c2ccccc2Br)sc2c(CCC2)c1C(=O)OC	ZINC22_792681,ChEMBL-DNDi_CHEMBL2425-3380,PC-id_1078867,CoCoCo_1701386,MCULE-3833639097,TIMTEC405743,EMOLS-id_2757847	380.256	QMHBUWWBXMHXIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114903
COC(=O)c1c(sc2c1CCC2)N=Cc1c(ccc(c1)Br)O	PC-id_135765627	380.256	LNANABWWJNAVAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114904
CSc1cc2n(c1C(=O)c1ccc(Br)cc1)CCC2C(=O)O	CHEMBL19100,PC-id_13687502,SCHEMBL10813705	380.256	QFRLBYJLMVDPIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114905
Brc1ccc(cc1)C[n+]1ccc(cc1)/C=C/1Cn2c(C1=O)ccc2	PC-id_16314772,CoCoCo_4397257	380.258	LZVMRDFUYKAPOL-SFQUDFHCSA-N	00000010100000111000000010000000000000000000000000000000	25-01-114906
Brc1ccc(C[n+]2ccc(C=C3C(=O)c4n(ccc4)C3)cc2)cc1	PC-id_72061441,MCULE-9365971004	380.258	LZVMRDFUYKAPOL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-114907
O=C1/C(=Cc2cc[n+](Cc3ccc(Br)cc3)cc2)/Cn2cccc12	CoCoCo_4397258,ZINC22_9498931,PC-id_18532479,GD-id_ZINC09498931	380.258	LZVMRDFUYKAPOL-ATVHPVEESA-N	00000010100000111000000010000000000000000000000000000000	25-01-114908
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)CCC	MCULE-3389903331,EMOLS-id_330980853	380.267	UPCQUFLSEVBPIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114909
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)C(C)C	MCULE-7909210764,EMOLS-id_330981109	380.267	JJQPWKGVVHJPIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114910
CC1CCc2c1c(I)nn2Cc1c(C)cc(C)cc1C	EMOLS-id_330977534,MCULE-9108105185	380.267	XDPQVWLIZIQMGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114911
CC1CCc2c1c(I)nn2Cc1cc(C)c(C)cc1C	EMOLS-id_330981373,MCULE-1995824382	380.267	WSXZLWYSILWXHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114912
CC1CCc2nn(Cc3c(C)cc(C)cc3C)c(I)c12	MCULE-9191152171,EMOLS-id_330961594	380.267	VGKZMJKHLCJFES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114913
CC1CCc2nn(Cc3cc(C)c(C)cc3C)c(I)c12	MCULE-9505912603,EMOLS-id_330961338	380.267	DYHQZGKTXLELTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114914
CCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330962363,MCULE-5613496026	380.267	CWKLMFCMDIFUOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114915
CCc1ccccc1C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330962623,MCULE-7887344602	380.267	VYWIAGIQBAGBCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114916
CCc1cccc(c1)C(C)n1nc2CCC(C)c2c1I	MCULE-6823610600,EMOLS-id_330961086	380.267	QZKBAPJMGFKMHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114917
CC(c1cccc(C)c1C)n1nc2CCC(C)c2c1I	EMOLS-id_330962110,MCULE-2490186436	380.267	PMNJCWOYABWOCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114918
CC(c1ccc(C)cc1C)n1nc2CCC(C)c2c1I	EMOLS-id_330962619,MCULE-7522871522	380.267	HWKIDOOFNVHILZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114919
CC(c1c(C)cccc1C)n1nc2CCC(C)c2c1I	MCULE-2280758054,EMOLS-id_330962879	380.267	NYGYUJXULRVCDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114920
CC(c1cc(C)ccc1C)n1nc2CCC(C)c2c1I	MCULE-7182300976,EMOLS-id_330964925	380.267	QFWAOOTXENZDAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114921
CC(c1ccc(C)c(C)c1)n1nc2CCC(C)c2c1I	EMOLS-id_330962107,MCULE-7532181503	380.267	MEFICZABKRQMJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114922
CC(c1cc(C)cc(C)c1)n1nc2CCC(C)c2c1I	MCULE-6807867352,EMOLS-id_330961854	380.267	HETLFMQPKIURGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114923
CC(C)c1ccccc1Cn1nc2CCC(C)c2c1I	EMOLS-id_330961850,MCULE-4729310701	380.267	KBIKNGOHPAYCSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114924
CC(C)c1ccccc1Cn1nc(I)c2C(C)CCc12	EMOLS-id_330977790,MCULE-4236513732	380.267	SXRFTNAEDZPMSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114925
CC(C)c1cccc(Cn2nc3CCC(C)c3c2I)c1	MCULE-1854581471,EMOLS-id_330964666	380.267	WFTHGVQNRLNROB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114926
CC(C)c1cccc(Cn2nc(I)c3C(C)CCc23)c1	MCULE-1900759325,EMOLS-id_330980606	380.267	ZBHXCMAIUPINLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114927
CCCc1ccc(Cn2nc3CCC(C)c3c2I)cc1	MCULE-6256634949,EMOLS-id_330964913	380.267	HCGRAHNZQSZODH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114928
CC(C)c1ccc(Cn2nc3CCC(C)c3c2I)cc1	MCULE-7949976315,EMOLS-id_330961074	380.267	ATUKFBWUIOSELL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114929
CC(C)c1nn2c(n1)C(=Nc1cc(c(c(c1)Cl)O)Cl)C(=N2)C(C)(C)C	PC-id_136089202	380.272	OQOFJDKRGLHUEY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-114930
CN=C(N(Cc1cc(cn1C)Br)C)NCc1nnc2n1CCC2	PC-id_109750313	380.286	UDCJRUGLKOJROY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-114931
Brc1cc([C@@H](NC(=O)c2sc3CCCc3c2)C)ccc1OC	PC-id_8963174	380.299	NDCUHCPNUWDLBU-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-114932
Brc1cc([C@H](NC(=O)c2sc3CCCc3c2)C)ccc1OC	PC-id_8963175	380.299	NDCUHCPNUWDLBU-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114933
Brc1cc(C(NC(=O)c2sc3CCCc3c2)C)ccc1OC	PC-id_84884809	380.299	NDCUHCPNUWDLBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114934
CN(CCOc1ccc(Br)cc1)C(=O)c1cc2c(s1)CCC2	EMOLS-id_3306921,MCULE-2545086325,CoCoCo_3215104,ZINC22_3417035,PC-id_2536105	380.299	WJIFGDQLQWCSBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114935
Brc1ccc(C(=O)c2n3CCSc3nc2CCCNC)cc1	PC-id_542126	380.303	ATZBAVKNBIRRJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114936
Brc1ccc(s1)C1(CCC1)CNC(=O)c1cnc2n1CCC2	EMOLS-id_318320230	380.303	GALKMCXLUKQMQC-UHFFFAOYSA-N	00001010100100000001100010000000000000000000000000000000	25-01-114937
Brc1cncc(c1)[C@H]1OCC[C@@H]1NCc1sc2c(n1)CCC2	EMOLS-id_318158119	380.303	POFCUUJQSONGSD-XJKSGUPXSA-N	00000010100000101001100010000000000000000000000000000000	25-01-114938
s1c2c(CCC2)c(c1NC(=O)c1c(F)cccc1F)C(=O)NC(=O)OC	PC-id_7521476	380.366	VWXPZNGLEDXXQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114958
c1(NC(=O)c2cccc(Br)c2)c2CSCc2nn1C(C)(C)C	ZINC22_2474931,MCULE-6421869640,PC-id_3339116,CoCoCo_4972620,ChEMBL-DNDi_CHEMBLF0396-0087,EMOLS-id_5426157	380.303	NJLJMUPIIUFUIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114939
c1(NC(=O)c2ccccc2Br)c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0080,CoCoCo_4972614,EMOLS-id_5426145,MCULE-8221480600,Chemmine_40084,PC-id_3467463,ZINC22_2474929	380.303	VIACWXFGVFRFKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114940
c1(NC(=O)c2ccc(cc2)Br)c2CSCc2nn1C(C)(C)C	ZINC22_4077209,CoCoCo_4972621,PC-id_4436213,EMOLS-id_5426159,ChEMBL-DNDi_CHEMBLF0396-0088,MCULE-2376571522	380.303	BRNUUPALRKLGQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114941
c1(sc2c(CCC2)n1)NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	EMOLS-id_181474389,PC-id_26723318,MCULE-2711725101	380.308	MJKJVXYERLFFMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114942
Cc1c(n2CCCc2c1C(=O)C(=O)OC)C(=O)Nc1cc(c(c(c1)F)F)F	PC-id_134285200,SCHEMBL19900911	380.318	DVXOCTCNDCGPFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114943
OC(=O)C(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)C(F)F)F	PC-id_139434798,SCHEMBL21296620	380.318	QCDLJZJKNLHYLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114944
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nc(n2)C)C)c1nc(=O)[nH]c(=O)[nH]1	PC-id_88983261	380.324	RKSRRJDRMMFCSQ-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-114945
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nnc2C)C)c1nc(=O)[nH]c(=O)[nH]1	PC-id_88873626	380.324	ZIJKJPCMBCNVKD-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-114946
O=c1[nH]c(n2nc(c([N+]#[C-])c2N/N=C/2c3n(N=C2C)c(nn3)C)C)nc(=O)[nH]1	PC-id_58090635	380.324	OPWWSTVRRXHXKK-UKWGHVSLSA-N	00000011100000100001100010000000000000000000000000000000	25-01-114947
O=c1[nH]c(n2nc(c([N+]#[C-])c2N/N=C/2c3n(N=C2C)nc(n3)C)C)nc(=O)[nH]1	PC-id_58113675	380.324	QPNKYOUUGOQWBU-UKWGHVSLSA-N	00000011100000100001100010000000000000000000000000000000	25-01-114948
CCN(c1ccc(cc1)N=C1C(=Nn2c1nnc2C(=O)O)C(F)(F)F)CC	SCHEMBL14362374,PC-id_71153468	380.325	QIMYOJNVNVWRNF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-114949
O=C(C1CCC(NC1=O)C(F)(F)F)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110405156	380.343	WGPBTMAUFIXPSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114950
O=C(C1CCc2n1c(=O)n(n2)Cc1cccc(c1)C(F)(F)F)N1CCCC1	SCHEMBL19609541	380.364	QQXFJWWUGOFKRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114951
O=C(c1nn2c(c1)OCC2)Nc1cc(ccc1N1CCCCC1)C(F)(F)F	EMOLS-id_99761333	380.364	RRGSDLCRAUFSDU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-114952
O=C([C@@H]1CCc2n1c(=O)n(n2)Cc1cccc(c1)C(F)(F)F)N1CCCC1	SCHEMBL19584316	380.364	QQXFJWWUGOFKRO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114953
Brc1cc(C)c(c(c1)C)NSC1c2sccc2C(=C1C)C	SCHEMBL11982449,PC-id_88863500	380.366	BJCYBJGYSFETLD-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-114954
Cc1cc(c(c(c1)Br)NSC1C(=C(c2c1scc2)C)C)C	SCHEMBL11982426,PC-id_88863491	380.366	OWUSVIGQTZSVDV-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-114955
NC(=O)c1c(NC(=O)COC(=O)c2c(F)cccc2F)sc2c1CCC2	ZINC22_6453044,EMOLS-id_3517664,PC-id_4377884,CoCoCo_2922505,MCULE-9196490893	380.366	VROBHBSYPFSBMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114956
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)c1ccc(cc1F)F	CoCoCo_2930737,PC-id_3940793	380.366	FYXGQYHROBDLTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114957
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)cc(F)c1)C(=O)N	PC-id_3995573	380.366	JYIQFUBJBPWYNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114959
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)c(F)cc1)C(=O)N	PC-id_30306038	380.366	NNAFFBWWYITTIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114960
FC(F)(F)c1ccc(nc1)N1CCC(C1)C(=O)NCc1nnc2CCCn12	EMOLS-id_55633326,MCULE-4221547545,PC-id_91770788	380.368	WMSOIRKXMQIHNJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-114961
O=C(NCc1nnc2n1CCC2)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1	PC-id_100040862,ZINC22_219429481	380.368	WMSOIRKXMQIHNJ-NSHDSACASA-N	00000010100000101001100010000000000000000000000000000000	25-01-114962
O=C(NCc1nnc2n1CCC2)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1	ZINC22_219429408,PC-id_100040861	380.368	WMSOIRKXMQIHNJ-LLVKDONJSA-N	00000010100000101001100010000000000000000000000000000000	25-01-114963
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)NCCc1cccnc1	PC-id_97525802	380.372	KKLMPIWEIYMQKW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114964
Fc1cccc(c1)C(=O)N1Cc2nc(oc2C1)C(=O)NCCc1ccncc1	EMOLS-id_44379924,ZINC22_96266046,PC-id_97525808	380.372	HRNHOVVLDLAGHD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-114965
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1c(cccn1)F	EMOLS-id_316324656,MCULE-3403148329	380.376	YSPAMVYBMFCYSA-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114966
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1ccncc1F	MCULE-7562550122,EMOLS-id_316253685	380.376	FBHSXJDELBOPEZ-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-114967
NC(=O)c1c(NC(=O)COC(=O)CN2C(=O)CNC2=O)sc2c1CCC2	CoCoCo_2892927,ZINC22_9508279,EMOLS-id_3437371,PC-id_4851823,MCULE-9948888630	380.376	RERDKGRSQLMVPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114968
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1ccccc1	MCULE-3867261424	380.377	RERUFPVZYYQDLO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114969
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1ccccc1	MCULE-4611985506	380.377	ZJSJKNCQYQNFDR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114970
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1ccccc1	MCULE-6151780792	380.377	BJEOKJVMGKKBRB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114971
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324843255	380.377	BJEOKJVMGKKBRB-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114972
[O-][N+](=O)c1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324838143	380.377	RERUFPVZYYQDLO-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114973
[O-][N+](=O)c1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324843252	380.377	ZJSJKNCQYQNFDR-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-114974
O=C(C1CCCN(C1)CC(F)(F)F)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389630	380.386	NYINJQKEFARRQQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114975
O=C(C1CCN(CC1)CC(F)(F)F)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466259	380.386	ZOLPDDPGHLWARC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-114976
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2sc3c(CCC3)c2C#N)n1	ZINC22_869850,TIMTEC66912,MCULE-5008529527,PC-id_1129775,BAS-01939699,CoCoCo_225020,SPECS-id_AG-690/40697754,EMOLS-id_1359777	380.387	AYOHNATWNVYMDM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114977
c1(C#N)c2CCCc2sc1NC(=O)Cn1c(C2CC2)cc(C(F)(F)F)n1	ZINC22_2777650,TIMTEC470017,MCULE-4232409535,EMOLS-id_4057741,PC-id_4769279	380.387	TZYCMVIGLVVQKZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-114978
Fc1cc(F)cc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	EMOLS-id_31548396,MCULE-9699919813,PC-id_46861349	380.387	JXQOYMDJBWHEDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114979
Fc1c(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)ccc(F)c1	PC-id_46925750	380.387	QQVHPQXXGKCORX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114980
Fc1c(CNC(=O)[C@H]2CCn3c2ccc3C(=O)c2ccccc2)ccc(F)c1	PC-id_52451465	380.387	QQVHPQXXGKCORX-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114981
Fc1c(CNC(=O)[C@@H]2CCn3c2ccc3C(=O)c2ccccc2)ccc(F)c1	PC-id_52451466	380.387	QQVHPQXXGKCORX-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114982
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1cc(F)cc(F)c1	PC-id_52340547,ZINC22_51364598	380.387	JXQOYMDJBWHEDZ-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114983
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1cc(F)cc(F)c1	ZINC22_51364597,PC-id_52340546	380.387	JXQOYMDJBWHEDZ-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114984
CCOC(=O)c1c(C(=O)OCC)c(n2c1CC(=O)N2C(=O)OC(C)(C)C)C	PC-id_101052750	380.392	SNKKJKDYBGAAKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-114985
CN=C(NCc1nnc2n1CCC2)NCc1cc(OC)ccc1OC(F)F	PC-id_109672539	380.392	NHFZFTALDKPIJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114986
O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc2n(n1)CCO2	ZINC22_291189028,MCULE-6556663909,EMOLS-id_177264431	380.394	FFYITRIDLBNLNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114987
CN1CC[C@@](C1=O)(O)C#Cc1cccc(c1)NC(=O)c1n[nH]c2c1CC[C@@H]2O	SCHEMBL18039373,PC-id_122508489	380.397	GUDOFISHJBWXHQ-YWZLYKJASA-N	00000010100000110001000010000000000000000000000000000000	25-01-114988
OC[C@H]1C[C@H](c2c1cnn2C)Cn1ccc(=O)n(c1=O)C(=O)c1ccccc1	PC-id_102145868	380.397	LZFMCCLUEFAEQM-LSDHHAIUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114989
NC(=O)NC(=O)c1c(NC(=O)c2ccc(s2)[N+](=O)[O-])sc2c1CCC2	GD-id_ZINC44452598	380.399	FWUMVWUPSOJMKS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-114990
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)NCc1ccco1	MCULE-4507439276,EMOLS-id_207863164	380.4	VMLSDUVYBXYQBQ-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-114991
c1(C(=O)OC)[nH]nc(C)c1c1cccc(c1)C(=O)NCc1nnc2CCCn12	MCULE-7476042547,ZINC22_299764513,EMOLS-id_68869221,PC-id_118760858	380.4	ILJPGVBRLKUGQX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-114992
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(c1)C(F)(F)F)C	MCULE-2448395422,EMOLS-id_330983600	380.404	PATYBCWOZSQZER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114993
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1c(C)ccc(c1)C(F)(F)F	MCULE-8338752562,EMOLS-id_330983856	380.404	FYHAEWDJKIIRII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114994
s1c2CCCc2cc1C(=O)NN=C(c1cc(OC)c(OC(F)F)cc1)C	PC-id_85015428	380.409	NBAUWHQUWGXCNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114995
s1c2CCCc2cc1C(=O)N/N=C(c1cc(OC)c(OC(F)F)cc1)/C	PC-id_9462323	380.409	NBAUWHQUWGXCNT-FBHDLOMBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114996
s1c2CCCc2cc1C(=O)NN=Cc1c(OC(F)F)c(OCC)ccc1	PC-id_85015475	380.409	RVUBVRVETLCVCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114997
s1c2c(CCC2)c(c1NC(=O)CNc1cc(F)cc(F)c1)C(=O)OCC	PC-id_24562325	380.409	VJIOFLDSIRNUGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-114998
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)C(F)(F)F)C	PC-id_111299763	380.411	ZVRJUJJONFWWTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-114999
c1(NC(=O)c2ccc(cc2F)F)c2CSCc2nn1CC(=O)NCCC	MCULE-1108083632,EMOLS-id_24913173,PC-id_30862146,ZINC22_23138808,CoCoCo_5277517	380.412	XGGRCDBGUHNLMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115000
S1Cc2c(nn(c2NC(=O)c2cc(F)c(F)cc2)CC(=O)NCCC)C1	PC-id_44052832	380.412	CDQVDEFSBXWTTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115001
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2F)CC(=O)NCCC)C1	PC-id_44052892	380.412	YKIOVXSAVFVCAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115002
c1(NC(=O)C(=O)NCc2ccco2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	Chemmine_48763,ZINC22_10250672,PC-id_18586566,EMOLS-id_5625846,MCULE-9992076770,CoCoCo_5190623	380.419	LVECGGKZRWFHQY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-115003
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)N(C(=O)[O-])C(C)(C)C	SCHEMBL5534343,PC-id_86604814	380.419	RKUMFMDDFJHEFW-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-115004
CC[N+]1(c2c(C(=N1)NC(=O)c1cccs1)sc(c2)C(=O)OC)C(=O)O	PC-id_90736054	380.419	DHFDBJTYLCADKC-UHFFFAOYSA-O	00000011100100000001000010000000000000000000000000000000	25-01-115005
s1c2CCC(c2nc1NC(=O)CC1C(NC(=O)NC1=O)C)C(=O)OCC	PC-id_75118860	380.419	FSHBXFNGJHKBDS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115006
COc1ccc(cc1)c1[nH]ncc1/C=C/1C(=O)Nc2c1cc(s2)CC(=O)N	PC-id_139979578	380.42	HMTNDOCPPGOSLY-NSIKDUERSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115007
N1(CC(=O)Nc2sc3c(CCC3)c2C#N)C(=O)C(NC1=O)c1ccccc1	EMOLS-id_181496244,MCULE-7289755062,PC-id_84571959	380.42	IPHGPLPWUBJHES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115008
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)S(=O)(=O)c1cn(c(n1)C)C	EMOLS-id_177245162	380.422	ZGFSQQSRTHUGPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115009
S(=O)(=O)(NC(C)C)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_18206095	380.422	NANDYIFUMOSVRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115010
c1(NC(=O)COc2ccc(cc2)n2c(C)nnn2)sc2c(CCC2)c1C#N	EMOLS-id_320635307,MCULE-4472051715	380.424	FISSVBUCEVKJGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115011
c1(NC(=O)COc2cccc(c2)n2c(C)nnn2)sc2c(CCC2)c1C#N	MCULE-3944190670,EMOLS-id_320724770	380.424	MISVRLLXSRYDMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115012
O=C(c1cc2c(s1)CCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1	MCULE-8236621186,ZINC22_8137120,CoCoCo_3195493,EMOLS-id_11831493,PC-id_9270835	380.427	HKWVAPUUPIEYNK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115013
CC(F)(F)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-9154889168,EMOLS-id_328222577	380.43	SLJGXVISGVWUQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115014
Fc1ccc(c(c1)F)C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC24948096	380.432	SRYYXBKIYYPCHR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-115015
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1c(F)cc(F)cc1)C)C(=O)N	PC-id_84994214	380.432	UKQWHCPVFUENSU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-115016
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1c(F)cc(F)cc1)C)C(=O)N	PC-id_9370506	380.432	UKQWHCPVFUENSU-VIFPVBQESA-O	00000010100000110000000010000000000000000000000000000000	25-01-115017
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1c(F)cc(F)cc1)C)C(=O)N	PC-id_9370510	380.432	UKQWHCPVFUENSU-SECBINFHSA-O	00000010100000110000000010000000000000000000000000000000	25-01-115018
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCc1ccccc1	ZINC22_96087940,PC-id_97407192,EMOLS-id_46185177	380.435	LXDRCUNQKRGTHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115019
Fc1cccc(CNC(=O)c2cc3N(CCc3s2)C(=O)c2ccccc2)c1	ZINC22_96146787,EMOLS-id_44303548,PC-id_97442314	380.435	DVKFNYKYVOKHTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115020
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N=c2cc3n([nH]2)CCC3)c1	ZINC22_1875274476,EMOLS-id_324065135,MCULE-5579945102,PC-id_146105914	380.437	BKUJMAGTEPCQII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115021
COC(=O)[C@@H](NC(=O)c1ccc2n1C(=O)C(=C2)Cc1ccccc1)CC(C)C	PC-id_101173897	380.437	RNQYRGAZRJISBN-SFHVURJKSA-N	00000011100000110000000010000000000000000000000000000000	25-01-115022
CN(C)c1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324833533	380.439	CIERPRONKYZWQS-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115023
COC(=O)c1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_24510007,MCULE-1141069842,EMOLS-id_16764704,CoCoCo_4260929	380.439	WZUPAZNQANJJNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115024
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)Cc1ccc(F)cc1	MCULE-8385954724	380.439	CIERPRONKYZWQS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115025
NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1	PC-id_7238749,CoCoCo_2840764,MCULE-9199837775,ZINC22_4462200,EMOLS-id_25619809	380.439	AYIBFTDIWDANPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115026
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(ccc(c1)C(=O)O)C	PC-id_25679627	380.439	MEWXVBDEPPPXJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115027
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C(=O)OC	PC-id_31701095	380.439	HLYDVMNHQVZSCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115028
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(cccc1)C(=O)OC	PC-id_8474052	380.439	ULQTTWPKEAILQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115029
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N)cc1	PC-id_7623628	380.439	IXXOENWCEIFVPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115030
s1c2CCCc2cc1C(=O)OCC(=O)Nc1scc(n1)CC(=O)OC	PC-id_7623703	380.439	SWBRATNZDBCWFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115031
c12CN(Cc1nn(CC1CC1)c2C(=O)NC1CC1)C(=O)OCc1ccccc1	MCULE-8603425123,EMOLS-id_324355431	380.44	ULTJLCRDJUGXRL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-115032
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(COc2ccc(cc2OC)C#N)C1	EMOLS-id_330367212,MCULE-9329914495	380.44	VBYSLYGNHZQIDV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115033
CCN1Cc2c(C1=O)c(c([nH]2)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1)C	SCHEMBL12531390,PC-id_59761406	380.44	JSWZBVZGMOCBNS-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-115034
CCOc1ccc(cn1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109536	380.44	KQGHDLTVDNZZLD-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-115035
CCOc1ncccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109509	380.44	JIPYVQSATOAGIQ-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-115036
CC(OC(=O)N1CC2(C1)c1ccccc1N(C2=O)Cc1nc2c([nH]1)CCC2)C	SCHEMBL16812481,PC-id_118155341	380.44	CMMMHJIILGSTTI-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-115037
CCOC(=O)N1CC2(C1)C(=O)N(c1c2cc(C)cc1)Cc1[nH]c2c(n1)CCC2	SCHEMBL21369729,PC-id_139500409	380.44	AUYRMBAICQPNFK-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-115038
COc1cccc(c1)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109568	380.44	FKSAOBIRHGNOAC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115039
COc1ccccc1NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109569	380.44	INHLQYGMJUCHKB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115040
COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_1857713868	380.44	VBYSLYGNHZQIDV-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115041
COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_1857713869	380.44	VBYSLYGNHZQIDV-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115042
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CCOC1)OC(C)C	PC-id_118479155,SCHEMBL17214000	380.44	JRSJBUFKLFTPAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115043
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1noc(c1)c1ccco1	PC-id_92109687	380.44	QUTOOHOUDHVZHA-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-115044
Cc1noc(c1C)c1ccc(o1)S(=O)(=O)NCc1cn2CCSc2n1	EMOLS-id_316219449,ZINC22_1506406974,MCULE-1178675187	380.442	HSULWDUUQHQTOA-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-115045
N#Cc1c(/N=CC=C/c2ccccc2)c(n2c1CCC2)C(=O)Nc1ccccc1	CoCoCo_5763446	380.442	QZAMKCORSYSIAG-YIYKSASFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115046
N#Cc1c(/N=CC=Cc2ccccc2)c(n2c1CCC2)C(=O)Nc1ccccc1	CoCoCo_5763447	380.442	QZAMKCORSYSIAG-XJHCXNQKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115047
N#Cc1c(/N=C/C=Cc2ccccc2)c(n2c1CCC2)C(=O)Nc1ccccc1	CoCoCo_5763448	380.442	QZAMKCORSYSIAG-JFXNVVHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115048
N#Cc1c(/N=C/C=C/c2ccccc2)c(n2c1CCC2)C(=O)Nc1ccccc1	NSC696795,CoCoCo_5763445,PC-id_5470031	380.442	QZAMKCORSYSIAG-NWNZOXOFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115049
O=C(Nc1ccccc1)c1n2CCCc2c(c1/N=C/C=Cc1ccccc1)C#N	PC-id_393868	380.442	QZAMKCORSYSIAG-FBEGZTJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115050
c1(c(C)c(nn1c1ccccc1)CC)NC(=O)N1Cc2c(n(nc2)CCO)C1	EMOLS-id_49641690,PC-id_74231440,ZINC22_97213134,MCULE-8945453361	380.444	LLRYDIMYNXJOAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115051
c1(n(C)nc2CCCc12)NC(=O)N(C)Cc1cnn(c2cccc(OC)c2)c1	EMOLS-id_48622720,PC-id_72838477,ZINC22_95496867,MCULE-9285032966	380.444	ZGHNHHCJEFUKMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115052
c1(NC(=O)c2ccc(cc2)CN(C)Cc2oc(nn2)C)n(C)nc2CCCc12	ZINC22_65382431,MCULE-1216961373,PC-id_50954433,EMOLS-id_32380096	380.444	INDCUOBCKLLIFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115053
c1(NC(=O)NCc2c3CCCc3[nH]n2)n(C)nc(C)c1c1ccc(cc1)OC	PC-id_72857354,ZINC22_95503073,MCULE-7814484216,EMOLS-id_48627896	380.444	MCEBOZVTWQRUBU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115054
Cc1nn(CC(=O)N(C)Cc2n[nH]c3c2CCC3)c(=O)n1Cc1ccccc1	MCULE-3880285485,PC-id_70715678,EMOLS-id_43561069,ZINC22_77320903	380.444	HGMBFCKNJMZDDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115055
CCn1c(c2ccccc2)nn(CC(=O)N(C)Cc2n[nH]c3c2CCC3)c1=O	ZINC22_77506037,EMOLS-id_43598447,MCULE-2435128415,PC-id_70776142	380.444	MMXBJFSFHYSOAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115056
o1nc(nc1CCC(=O)NCc1n2CCCc2nn1)c1ccc(C(C)C)cc1	PC-id_52179123	380.444	VXZIEXBXFMYVMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115057
Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n(N)c1=O	EMOLS-id_3399259,ZINC22_9128575,CoCoCo_2999942,MCULE-8142363659,PC-id_4843085	380.445	SZTNMNFSHQOFBW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-115058
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1cnn(c1)C1CCOCC1	EMOLS-id_99664916	380.445	MPMYBHUXOAHNEC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115059
c1(CN2CCC(CC2)Oc2ncc(cn2)c2cnn(C)c2)nnc2CCCn12	MCULE-3132586658,PC-id_154883196,EMOLS-id_324169371,ZINC22_1889186467	380.447	CXPXEYSDRXIQPF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-115060
s1c2CCCc2c(c1NC(=O)CSc1nc(N)c(cc1C#N)C#N)C#N	PC-id_4464650	380.447	WMDPVQUXXBLCEN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-115061
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1cc2c(s1)CCC2	MCULE-7885115738,ZINC22_95953813,PC-id_75479542,EMOLS-id_48776268	380.457	GPJFEWXMQPGZJI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115062
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)NC1CCCCC1	ZINC22_17077759,CoCoCo_6831948,PC-id_17377072,TIMTEC532701,MCULE-7508403601,EMOLS-id_4057991	380.459	WRYSVDCWOPJNQN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115063
C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)OCC(C)C)C	PC-id_139565136,SCHEMBL21443277	380.459	MWZUYVLRFDHWQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115064
C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)OC(C)(C)C)C	PC-id_140898335	380.459	PQXNBBLSKNNTFE-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115065
C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)OCC(C)C)C	SCHEMBL18520848	380.459	MWZUYVLRFDHWQX-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115066
O=C(NC1(CCN(C1)C(=O)c1sc2c(c1)CCC2)C(=O)O)OC(C)(C)C	PC-id_113945692	380.459	XATFTKZGICOGMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115067
O=C(NNC(=O)c1sc2c(c1)CCC2)CCC1CCC(O1)C1OCCO1	EMOLS-id_278261825	380.459	BXSWTZBLBIIVOH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115068
s1c2CCCc2cc1C(=O)OCC(=O)NC1CCN(CC1)C(=O)OCC	PC-id_24476016	380.459	ODXKHBDMFYFAJC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115069
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1CC	CoCoCo_735873,EMOLS-id_2123594,ZINC22_1214306,MCULE-9797230695,PC-id_1368395	380.46	HMHRHJAJQARIQZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-115070
c1(NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1675589407,EMOLS-id_334338212	380.46	QNXQJKSFZQMEKU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-115071
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	SPECS-id_AG-667/13587033,CK1308314,ZINC22_4671763,EMOLS-id_2123254,MCULE-8602813399,PC-id_2884012,CoCoCo_735044	380.46	OHMBWDZWKYQXTC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-115072
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_2109622,CK1597295,ZINC22_1204158,MCULE-4696038292,CoCoCo_706419,PC-id_1361419	380.46	SLUPKHXPGYNOPV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-115073
c1(NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	ZINC22_799051,MCULE-9768444890,BAS-06261562,EMOLS-id_1478543,CoCoCo_347120,PC-id_1083259,TIMTEC62146	380.46	ATFWFVZLGWLCPY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-115074
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9812958671,EMOLS-id_334339493	380.46	JUNSWHCHVYGWPL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-115075
C(=Cc1ccc(C)cc1)(C#N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8892017259	380.46	JNVHJZLCIHLVFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115076
CCc1oc(c2ccccc2C(=O)C)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1821928,PC-id_56658291	380.46	ASWMFIWSTXDRKG-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-115077
CCOC(=O)c1c(NC(=O)c2ccc(cc2)n2cccc2)sc2CCCc12	EMOLS-id_327953246,MCULE-9265677418	380.46	DUVZESLFSVDLBW-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-115078
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(C)cc2)/C#N)sc2CCCc12	EMOLS-id_328091999	380.46	JNVHJZLCIHLVFA-RVDMUPIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115079
NC(=O)c1c(NC(=O)CCc2ccc(c3ccccc3)o2)sc2c1CCC2	MCULE-9860232516,CoCoCo_3218573,EMOLS-id_23978333,ZINC22_32971027,PC-id_40201068	380.46	ASUIFOPPWMDVQY-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-115080
O=C(c1ccc2n1CCC2C(S(=O)(=O)N)c1ccccc1)c1ccccc1	SCHEMBL8518962,PC-id_67611243	380.46	YSXMLCVXCAFIAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115081
O=C(c1ccccc1)c1cccc(c1)CS(=O)(=O)NC1CCn2c1ccc2	PC-id_67611245,SCHEMBL8518965	380.46	XLHKEZVGTMEYIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115082
O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc2c(s1)CCC2	ZINC22_8324883,CoCoCo_4164130,MCULE-3941039024,PC-id_9450442,EMOLS-id_43971868	380.46	PIFNIIJPZGJTCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115083
s1c2CCCc2c(c1NC(=O)COC(=O)C1(CCC1)c1ccccc1)C#N	PC-id_24522874	380.46	DNUOFOOENAWLKP-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-115084
c1(NC(=O)C(=O)NCCCN2CCOCC2)sc2c(CCC2)c1C(=O)N	PC-id_8031239,ZINC22_20573308,STOCK6S-07761,EMOLS-id_4736288,MCULE-7187566508	380.462	XEGFQTOVEALKIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115085
Cn1nc(c2c1CCC2)CN(S(=O)(=O)N1CCOCC1)Cc1ccco1	PC-id_92109664	380.462	WVIIFRUDGKDAPG-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-115086
O=C(C1CCC(CC1)NC(=O)C1CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466252	380.462	YKUZMFFHHMNPSH-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-115087
O=C(C1CC(=O)N(C1)C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110389762	380.462	CEHMABXQPVSBBY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115088
O=C(C1CN(C1)C(=O)C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112079624	380.462	PDLOESULNQDZOS-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-115089
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CN(S(=O)(=O)C)C	PC-id_92109475	380.462	ACEHESBGVHQRTJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-115090
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)OCC)C(=O)N	PC-id_27154572	380.462	OAKHWBMQVBMTNA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115091
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N1CCOCC1)C)C(=O)N	PC-id_8711549	380.462	GQNSZSKNEPUMJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115092
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCC(CC1)C(=O)O	PC-id_7685571	380.462	ZOTPNGJDNVVCNX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115093
c12SCCn1cc(CNC(=O)c1cccc(c1)c1cccc(C(C)O)n1)n2	PC-id_122559035,EMOLS-id_177386546,MCULE-3760166791	380.463	PVYLUWYFJPWJGZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115094
c1(CN(C)C(=O)c2ccc(cc2)c2csc(C(=O)N)c2)c2CCCc2[nH]n1	EMOLS-id_177408744,ZINC22_534632893,PC-id_122561526,MCULE-2534512026	380.463	DAVLASOUEWPROF-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-115095
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccc(C)s2)n1	MCULE-8416602169	380.463	HBIFKLDGXTXDIN-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115096
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccc(C)s2)n1	MCULE-4931230673,EMOLS-id_316332851	380.463	HBIFKLDGXTXDIN-HNNXBMFYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115097
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cc3ccsc3)C2)n1	EMOLS-id_316332340,MCULE-4806280350	380.463	JFAFUDSDGWDAFW-INIZCTEOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115098
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)Cc3ccsc3)C2)n1	MCULE-7502890310	380.463	JFAFUDSDGWDAFW-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115099
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1sccc1C	MCULE-5669545085	380.463	JBHMEAFGOOHUHG-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115100
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1sccc1C	MCULE-4798779563,EMOLS-id_316319541	380.463	JBHMEAFGOOHUHG-HNNXBMFYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115101
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3cccs3)Cc12	EMOLS-id_316318007,MCULE-5065272553	380.463	WVHXKNPRQLFFDW-HNNXBMFYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115102
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3cccs3)Cc12	MCULE-9990761924	380.463	WVHXKNPRQLFFDW-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115103
Cc1cccc(c1)n1ncc(c1C)C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_25566655,CoCoCo_4695945,MCULE-2903121032,EMOLS-id_24125125	380.463	CXGVBWNFSYDAAJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115104
C[C@@H](O)c1cccc(c2cccc(C(=O)NCc3cn4c(n3)SCC4)c2)n1	ZINC22_534587463	380.463	PVYLUWYFJPWJGZ-CYBMUJFWSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115105
C[C@H](O)c1cccc(c2cccc(C(=O)NCc3cn4c(n3)SCC4)c2)n1	ZINC22_534587467	380.463	PVYLUWYFJPWJGZ-ZDUSSCGKSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115106
COc1ccc(c2ccc(C(=O)NCCc3nc4c(s3)CCC4)cc2)nn1	PC-id_121499708,ZINC22_426444899,EMOLS-id_177400930,MCULE-3457242449	380.463	IZJHJZNNJJUZMS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115107
Nc1ccc(c(n1)N)C(=O)NCc1ccc(cc1)Cc1sc2c(c1)COC2	PC-id_117836108,SCHEMBL16418568	380.463	UJIJILUYVLGNHC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115108
Nc1ccc(c(n1)N)C(=O)NCc1ccc(cc1)CC1Sc2c(C1)coc2	SCHEMBL17781309,PC-id_121361800	380.463	VRZRWRYGKVYCSG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115109
N#Cc1c(NC(=O)CNc2ccccc2N2CCCC2=O)sc2c1CCC2	CoCoCo_4265021,ZINC22_9835453,PC-id_16355116,MCULE-2845560274,EMOLS-id_11799865	380.463	NWPXZMRIJYCVKT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-115110
O=C(Nc1[nH]nc2c1CN(C2)Cc1ccccc1)CCC(=O)c1cccs1	SCHEMBL2916740,PC-id_68440047	380.463	GMKCWVLQQMPXDQ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115111
s1c2CCCc2cc1C(=O)NN=Cc1n(n(c(=O)c1C)c1ccccc1)C	PC-id_85015425	380.463	JVHYMWICSNZJLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115112
s1c2c(CCC2)c(c1NC(=O)c1ccc(n2nc(cc2C)C)cc1)C(=O)N	PC-id_2122967	380.463	DRYFLMOYUPMWBA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115113
CCOC(=O)C1CCCCN1C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1328724575,EMOLS-id_328339860	380.48	WMLQHUWXCJATOG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-115114
CCOC(=O)C1CCCN(C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3314615641,EMOLS-id_328337052	380.48	CXKZNPRDAYKVMX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-115115
CCOC(=O)C1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328337305,MCULE-9468800833	380.48	LPVUFXQSJMHNDR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-115116
c1(NC(=O)CS(=O)CC(=O)OC2CCCC2)sc2c(CCC2)c1C#N	MCULE-9478960733,EMOLS-id_320678507	380.482	PKADVMCVSAWWBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115117
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC	PC-id_8838653	380.482	VYPPHAIGZNWORN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115118
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)c(OC)cc1	PC-id_9474008	380.482	ONIRKJZTQUOJJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115119
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)OCC)C(=O)N	PC-id_40953347	380.482	OFUJNFMBCFHBAO-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-115120
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C(=O)OCC)C(=O)N	PC-id_78718848	380.482	GLMHOIJFGSUJDM-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-115121
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCN(CC1)C(=O)C)C(=O)OC	PC-id_28361804	380.482	RSKLQUYMQDPZGK-UHFFFAOYSA-O	00000010100000000101000010000000000000000000000000000000	25-01-115122
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C(=O)OCC)C(=O)N	PC-id_8533289	380.482	GLMHOIJFGSUJDM-LLVKDONJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-115123
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C(=O)OCC)C(=O)N	PC-id_8533292	380.482	GLMHOIJFGSUJDM-NSHDSACASA-O	00000010100010000000000010000000000000000000000000000000	25-01-115124
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)C)C(=O)OCC	PC-id_2697577	380.482	HXPOPMMJUXDZEF-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115125
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N1CCCC1)C)C(=O)OC	PC-id_38269284	380.482	MXWNYRSAZNNDDK-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-115126
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC1CC1)C)C(=O)OCC	PC-id_9053084	380.482	BOETXEXIKBBWLV-UHFFFAOYSA-O	00100010100000000000000010000000000000000000000000000000	25-01-115127
c1(c2CCCc2[nH]n1)C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1	MCULE-4678253649,EMOLS-id_330423271,ZINC22_1857715308	380.483	LUAQMXUBGSNUBK-FPOVZHCZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115128
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)C2(CCCCC2)C)n1	MCULE-5874362168	380.483	ZKAJXKMVRSCMMQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115129
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)C2(CCCCC2)C)n1	EMOLS-id_316331319,MCULE-6255198716	380.483	ZKAJXKMVRSCMMQ-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115130
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)CC3CCCCC3)C2)n1	EMOLS-id_316331832,MCULE-5181088768	380.483	MHWJUZWBILODBT-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115131
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)CCC3CCCC3)C2)n1	MCULE-4007767163,EMOLS-id_316330296	380.483	PHEDSXULVOYTSA-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115132
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)CC3CCCCC3)C2)n1	MCULE-1862393419	380.483	MHWJUZWBILODBT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115133
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)CCC3CCCC3)C2)n1	MCULE-9820413658	380.483	PHEDSXULVOYTSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115134
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)C1(CCCCC1)C	MCULE-4744146795	380.483	LICHWCPKTZZBSN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115135
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)C1(CCCCC1)C	EMOLS-id_316319540,MCULE-9401309726	380.483	LICHWCPKTZZBSN-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115136
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCC3CCCC3)Cc12	MCULE-8295229194,EMOLS-id_316254711	380.483	WGCNYCQPFRGZSE-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115137
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCC3CCCC3)Cc12	MCULE-3813837427	380.483	WGCNYCQPFRGZSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115138
CC(=O)Nc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109704	380.483	OWSBSAOHGNDACB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115139
CN([C@H]1c2ccccc2C2([C@H]1O)CCN(CC2)C(=O)c1[nH]nc2c1CCC2)C	CoCoCo_1518501,CoCoCo_1518505	380.483	ZROPGDXWAUMDNG-PMACEKPBSA-N	00000010100010100001000010000000000000000000000000000000	25-01-115140
CN([C@H]1c2ccccc2C2([C@@H]1O)CCN(CC2)C(=O)c1[nH]nc2c1CCC2)C	CoCoCo_1518503,CoCoCo_1518507	380.483	ZROPGDXWAUMDNG-VQTJNVASSA-N	00000010100010100001000010000000000000000000000000000000	25-01-115141
CN([C@@H]1c2ccccc2C2([C@@H]1O)CCN(CC2)C(=O)c1[nH]nc2c1CCC2)C	CoCoCo_1518508,CoCoCo_1518504	380.483	ZROPGDXWAUMDNG-WOJBJXKFSA-N	00000010100010100001000010000000000000000000000000000000	25-01-115142
O=C1N(CC(CC1)C(=O)NCc1n[nH]c2c1CCC2)CCCc1ccccc1	PC-id_45207427	380.483	MYUPEQSJIQKAPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115143
O=C([C@H]1CCC(=O)N(C1)CCCc1ccccc1)NCc1[nH]nc2c1CCC2	CoCoCo_1359898,CoCoCo_1359900	380.483	MYUPEQSJIQKAPA-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115144
O=C([C@@H]1CCC(=O)N(C1)CCCc1ccccc1)NCc1[nH]nc2c1CCC2	CoCoCo_1359899,CoCoCo_1359901	380.483	MYUPEQSJIQKAPA-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115145
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CNC(=O)c1ccccc1	PC-id_92109681	380.483	ISEPTECUNHPTAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115146
c1(NC(=O)c2ccc(cc2)S(=O)(=O)NCCC)n(C)nc2CSCc12	MCULE-7666476453,ZINC22_1529155157,EMOLS-id_316201429,PC-id_134704882	380.485	OYMBXTSFHRCIHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115147
c1(NC(=O)c2snnc2C)sc2c(CCC2)c1C(=O)NCCCOC	ZINC22_11914293,PC-id_16453921,TIMTEC189657,CoCoCo_6286929,MCULE-3664204003,EMOLS-id_9880547	380.485	HFMHYZNHWDPAJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115148
c1(NC(=O)Cc2cccs2)c2CSCc2nn1CC(=O)NCCOC	MCULE-5843324367,ZINC22_23138924,PC-id_30862246,EMOLS-id_24913251,CoCoCo_5277559	380.485	PAMNSAQFKUBQDP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-115149
Cc1ccc(s1)C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100194813	380.485	RQZXXFKZPBTXMS-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115150
Cc1nn(C2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc2CCCc2s1	STOCK7S-31242,EMOLS-id_49402302,MCULE-5992283342,PC-id_71701588,EMOLS-id_44206246	380.485	ROUCVKFYPQJKIT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115151
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc2c(s1)CCC2	PC-id_96556961,ZINC22_79475971	380.485	ROUCVKFYPQJKIT-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-115152
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc2c(s1)CCC2	ZINC22_79475966,PC-id_96556960	380.485	ROUCVKFYPQJKIT-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115153
CCCc1n[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1	CoCoCo_4495895,CoCoCo_4495894,EMOLS-id_13495491,CoCoCo_4495896,CoCoCo_4495893,MCULE-1886950890,ZINC22_11464005,PC-id_17456989	380.485	DFQGMVVCNWXYGR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115154
CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_44590238,PC-id_71848259,ZINC22_84727263,MCULE-5691903421	380.485	LRBXJUOFUDFMGY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115155
O=C(c1cscc1)N1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201224	380.485	ZKHKYDSTLVZXMK-UHFFFAOYSA-N	00000010100100000101000010000000000000000000000000000000	25-01-115156
O=C(c1csc(n1)C1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112093967	380.485	YQERJETXSLWOEH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115157
O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cc2n(n1)CCC2	ZINC22_295271607,EMOLS-id_316160802,MCULE-6632729473	380.485	FBFJJDUIHAJPAK-GFCCVEGCSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115158
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)C)C(=O)OC	PC-id_19715733	380.485	QLZXYVOLNCIERW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115159
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)cnn1)C(=O)OCC	PC-id_8987837	380.485	SBWVXXSPIPWSIS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115160
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(C)cnn1)C)C(=O)OCC	PC-id_23963521	380.485	HCIOUWDYBLIGSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115161
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)CC)C(=O)OCC	PC-id_33395539	380.485	TWLHUHMKWRZNLY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115162
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC)C)C(=O)OC	PC-id_19716334	380.485	MRNJBIRCVHQXTF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115163
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C)C)C(=O)OCC	PC-id_8337822	380.485	STNUYFHZAWUDIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115164
CN(c1ccc(cc1)/C=c/1sc2n(c1=O)nc(n2)/C=C/c1cccs1)C	STOCK4S-71115,ZINC22_5217047,EMOLS-id_206973774	380.487	VCQVWNLLJWSMAE-KDNHCMJDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115165
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)C=Cc1cccs1	MCULE-3116866275	380.487	VCQVWNLLJWSMAE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115166
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1c(C)nn(c1C)CC(C)C	EMOLS-id_99664955	380.488	JBGNTDHFIPKIQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115167
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)CC(C)C)C(=O)N	PC-id_36795261	380.488	JYBLHYRYYDVISO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115168
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C(C)(C)C)C(=O)N	PC-id_46639128	380.488	MHIUYNOSRFJSSU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115169
c1(NC(=O)CCN2CC(C)OC(C)C2)sc2c(CCC2)c1C(=O)OCC	PC-id_3260002,EMOLS-id_3063175,MCULE-3784130084	380.502	MGPMHJCJCPPNSO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115170
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956583	380.502	FPTYTWYXNCOSEQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115171
CCOC(=O)c1c(NC(=O)CCCC(=O)N(CC)CC)sc2CCCc12	MCULE-2309102438,EMOLS-id_328243046	380.502	WRJDRBNWMBTXBB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115172
CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)O[C@H](C)C2)sc2c1CCC2	PC-id_1186337,ZINC22_12625005,CoCoCo_1766704,CoCoCo_1766703	380.502	MGPMHJCJCPPNSO-BETUJISGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115173
CCOC(=O)c1c(NC(=O)CCN2C[C@@H](C)O[C@H](C)C2)sc2c1CCC2	PC-id_1186338,ZINC22_19791871,CoCoCo_1766705	380.502	MGPMHJCJCPPNSO-CHWSQXEVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115174
CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)O[C@@H](C)C2)sc2c1CCC2	PC-id_1186339,ZINC22_19791870,CoCoCo_1766702	380.502	MGPMHJCJCPPNSO-STQMWFEESA-N	00000010100010000001000010000000000000000000000000000000	25-01-115175
c1(NC(=O)C2(CCCCC2)Oc2ccccc2C)sc2c(CCC2)c1C#N	EMOLS-id_322839472,MCULE-4818960297	380.503	NMTPEWOALUXITQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-115176
c1(NC(=O)C2(CCCCC2)Oc2ccc(cc2)C)sc2c(CCC2)c1C#N	MCULE-9294492278,EMOLS-id_322839728	380.503	ZGPXNSXNNNJKGN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-115177
c1(NC(=O)C2(CCCCC2)Oc2cccc(C)c2)sc2c(CCC2)c1C#N	MCULE-7684050589,EMOLS-id_322839216	380.503	JQDSKVLARGPRMC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-115178
CCCC1(C)C(NC(=O)CC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_21735848,SCHEMBL9652916	380.503	LXOMFYCXRZDIHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115179
N#Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCC2	ZINC22_408629211	380.503	PZYMVUIIEXFEOC-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-115180
c1(NC(=S)NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)OCC	ZINC22_40898448,MCULE-2127073130,PC-id_19187831	380.505	QIMZRXAEWWNPDQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-115181
O=C(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)CC1CCCCC1	EMOLS-id_100203255	380.505	BCQBAWSLUHXENS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115182
O=C(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)CCC1CCCC1	EMOLS-id_100201167	380.505	DXIJYKGDMVDCAI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115183
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)(C)C)CC)C(=O)N	PC-id_8796818	380.505	YNBGWXSKSSHGDJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115184
S1Cc2c(NC(=O)CC3CCCCC3)n(nc2C1)CC(=O)NCCOC	PC-id_44052978	380.505	ZOOWTTDWGYMFBC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115185
S1Cc2c(NC(=O)CCC3CCCC3)n(nc2C1)CC(=O)NCCOC	PC-id_44052979	380.505	XTTLSTSBIVZXOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115186
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)CC(C)(C)C	PC-id_44053115	380.505	DRVRDFBVACPCPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115187
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)C(CC)CC	PC-id_44053116	380.505	MNYILQCPEICBEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115188
c1(c2cccc(c2)C(=O)NCCc2sc3c(CCC3)n2)cn(nc1C)CC	MCULE-5515868181,PC-id_122559957,EMOLS-id_177394599,ZINC22_534590145	380.506	ZJVSTWNBAQZYLT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115189
Cc1cccc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1	ZINC22_27382318,EMOLS-id_24977703,CoCoCo_4388831,MCULE-7864868973,CoCoCo_4388832,PC-id_34732950	380.506	FWISRTBFLAORPN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115190
CCc1cccc(c1)c1cc(n(n1)CC(=O)N1Cc2c(C1)nc(s2)C)CC	PC-id_89608002,SCHEMBL15002091	380.506	BEENFXWYFBTTPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115191
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(c(c1)C)C	PC-id_89607931,SCHEMBL15002018	380.506	KEXWTMCYUYQXCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115192
CC(C)Cc1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	EMOLS-id_328222585,MCULE-9894883856	380.506	MKXUECWKTMIHBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115193
CN(C)c1ccccc1C[S+]([O-])c1nc2c(n1Cc1ccccn1)CCC2	BindingDB_PC-id_10667494,PC-id_10667494,CHEMBL350014	380.506	FVIFIXHDUMWUNN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-115194
N#Cc1c(NC(=O)C(N2CCC(CC2)c2ccncc2)C)sc2c1CCC2	EMOLS-id_100713381	380.506	GUYPGIQZHBKVNY-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-115195
N#Cc1c(NC(=O)C(N2CCCC(C2)c2ccncc2)C)sc2c1CCC2	EMOLS-id_101335582	380.506	BGSHHPBBOYKZNY-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-115196
N#Cc1c(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc2c1CCC2	MCULE-4865808135,ZINC22_21822230,CoCoCo_3565327,PC-id_2653890,CoCoCo_3565326,EMOLS-id_3434263	380.506	PWQMTSWEHOJFPS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115197
N#Cc1c(NC(=O)CNc2ccccc2N2CCCCC2)sc2c1CCC2	ZINC22_9884647,PC-id_16369817,EMOLS-id_11819772,MCULE-5051250405,CoCoCo_3847380	380.506	ANXXTWBKJIBUFO-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-115198
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1ccccc1)C#N	PC-id_24588577	380.506	WVMXEOILBJQWQQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115199
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(cccc1)C)C#N	PC-id_8726557	380.506	RBQWYFYHPQLCPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115200
O=S(=O)(N1CCSCC1)CCNS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100184808	380.507	LJTLYHMEYHTFAW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115201
c1(NC(=S)NC(=O)C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	PC-id_19187940,MCULE-3430429908	380.525	MLENGJXQYCAGFA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115202
s1c2c(CCC2)c(c1NC(=O)CCN1CC[NH+](CC1)CC)C(=O)OCC	PC-id_29963784	380.525	WKEBCLCHOCABCN-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115203
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CCC)C(=O)OCC	PC-id_51608263	380.525	GKHXIUKKEZCSSP-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115204
s1c2c(CCC2)c(c1NC(=S)NC(=O)CC1CCCC1)C(=O)OCC	PC-id_54786328	380.525	YSVLYMXUHWYJLQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115205
Cc1cccc(n1)CCCCCC1(CCCC1)C(=O)N1Cc2c(C1)c(n[nH]2)C	PC-id_68405043,SCHEMBL12849758	380.526	NLBURKSCRQRBSQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-115206
CCCCN(c1ccc(c(c1)C)/C=c
/c(C)nc2n1nc(c2COC)C)CC	SCHEMBL13237753	380.526	WVMRYYWKHIZAES-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115207
O(Cc1c2n(nc1C)c(=Cc1c(cc(N(CCCC)CC)cc1)C)c(n2)C)C	PC-id_59211642	380.526	WVMRYYWKHIZAES-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115208
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)NCCCc1ccccc1	PC-id_92109996	380.526	NJCBNVKNWSLUKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115209
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)c1ccccc1)C#N	PC-id_52561561	380.526	OJTAKTFXIQNDDQ-UHFFFAOYSA-O	00000010100010110000100010000000000000000000000000000000	25-01-115210
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)Cc1ccccc1)C#N	PC-id_8085417	380.526	FMKWLENFRLIIMQ-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-115211
CCNC(=NCc1nnc2n1CCC2)N1CCC(C(C1)CC)c1ccccc1	PC-id_109566489	380.53	RYDWQCHQQPOSPF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115212
S1(=O)(=O)C(Cc2c1sc(c2)CC(S(=O)(=O)N)(C)C)(CN(C)C)C	PC-id_19759870	380.546	YTOPVFBNRYXIHU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115213
CC1CCCCN1CCC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100233775	380.548	KGTPSNSUVTZPMS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115214
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)C([Si](CC)(C)C)(C)C	PC-id_140817019	380.557	VAXMLBYYHSRKAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115215
CCCCCCCCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215413,MCULE-1988078657	380.566	NQUMGLFLBBDNHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115216
CCCCCCN(CCCC)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9917500824,EMOLS-id_328338846	380.566	OKSNSUPSMRMJOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115217
c1(NC(=O)CS(=O)CCCCCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320677485,MCULE-9713929445	380.568	PHRWDZUASHFHFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115218
s1c2c(CCC2)c(c1NC(=S)NC1CC(CC(C1)C)(C)C)C(=O)OC	PC-id_19652690	380.568	FQOQGONJSMYNSF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115219
Clc1nc2S(=O)(=O)CCn2c1C(=O)Nc1c(Cl)cccc1Cl	PC-id_15163452	380.634	GRMIWTLAEKVTRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115220
Brc1sc2c(C(CC2)CN(C(=O)OC(C)(C)C)C)c1Cl	SCHEMBL2043341,PC-id_67258612	380.728	HVOSXHBNIWKFGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115221
Brc1sc2c(C(C(N(C)C(=O)O)C(C)(C)C)CC2)c1Cl	SCHEMBL2043337,PC-id_67258611	380.728	BNBHFZAAKPHYQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115222
CC1(c2nn(c(c2CN1C(=O)Cl)NC(=O)c1ccc(cc1)F)C(=O)O)C	PC-id_87682055,SCHEMBL4522782	380.758	DVABCZNNEIECQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115223
O=S(=O)(NCc1nnc2n1CCC2)c1ccc(Cl)c(C(F)(F)F)c1	CoCoCo_4491391,ZINC22_8987001,PC-id_17434024,EMOLS-id_12001337,MCULE-6115619092	380.773	DDRHQJFZNFDTCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115224
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(c(Cl)c2)F)n1	MCULE-1739384129	380.801	VRCBYGZOJNYANP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115225
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(c(Cl)c2)F)n1	EMOLS-id_316335410,MCULE-6153345456	380.801	VRCBYGZOJNYANP-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-115226
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-3915520275,CoCoCo_901621,ChEMBL-DNDi_CHEMBL7256490,PC-id_1291568,TIMTEC432475,ZINC22_1113533,EMOLS-id_2023431	380.803	RQIIBNWPUZDVQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115227
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_1021004,SPECS-id_AK-968/40714859,EMOLS-id_829472,MCULE-5810904142,CoCoCo_896414,ZINC22_685930,TIMTEC113875	380.803	CYRGOSHIUBCKHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115228
Clc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c([N+](=O)[O-])cc1	PC-id_4361284	380.803	BJTLIBAQSWBKTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115229
Clc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)c([N+](=O)[O-])cc1	PC-id_7623584	380.803	VYSRZDYUBSRQIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115230
Clc1cc([N+](=O)[O-])c(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_3938031	380.803	CCSOAZAXLHILAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115231
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)ccc([N+](=O)[O-])c1	PC-id_3435969	380.803	LZOGYSJCFSYXGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115232
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)cc([N+](=O)[O-])cc1	PC-id_4379600	380.803	XUEINDCRHHFBIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115233
Clc1c([N+](=O)[O-])cc(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_3282285	380.803	CEHSFLNPHPSTJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115234
COC(=O)c1c2c(CCC2)sc1NC(=O)c1c(Cl)ccc(N(=O)=O)c1	PC-id_1666519,MCULE-2812718285,ZINC22_1940300	380.803	UWPHADPDEFSRHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115235
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2	PC-id_3326833,ZINC22_5526404	380.803	QXQMSRSXVUIEQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115236
O=C(NCc1nnc2n1CCC2)c1ccccc1C(=O)c1ccc(Cl)cc1	MCULE-7847169302,ZINC22_32905797,PC-id_40142283,EMOLS-id_24080666,CoCoCo_4651289	380.828	BVEBMNIRULFATP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115237
Clc1ncccc1OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_60324498	380.846	NJYMVOGMMJJOMO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-115238
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)c2CSCc2nn1C(C)(C)C	CoCoCo_4982351,ChEMBL-DNDi_CHEMBLF0541-1187,ZINC22_4088669,MCULE-7104523314,EMOLS-id_30103832,PC-id_4099406	380.849	UENKSYANHFVPSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115239
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)c2CSCc2nn1C(C)(C)C	PC-id_4054849,CoCoCo_4982349,EMOLS-id_30103828,GD-id_ZINC04088667,MCULE-9344629374,ZINC22_4088667	380.849	CETDQYVXFNAKMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115240
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)c2CSCc2nn1C(C)(C)C	MCULE-5396603798,CoCoCo_4982350,EMOLS-id_30103830,ZINC22_4088668,PC-id_4136417	380.849	LKHFWRTXKYVYKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115241
Clc1ccc(cc1NS(=O)(=O)c1cnc2n1CCC2)N1CCCC1=O	EMOLS-id_100970839	380.849	SXBJVVVXDVHHCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115242
COc1ccc(Cl)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328217714,MCULE-6169853375	380.867	BJAGDWWKADHVKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115243
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1Cl	EMOLS-id_328219516,MCULE-4728120786	380.867	HHRAOSJGHRKCEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115244
CCCOc1c(Cl)cc(C(=O)Nc2nc3c(s2)CCC3)cc1OCC	PC-id_25599242,MCULE-8431769934,EMOLS-id_24114433,CoCoCo_4164243,ZINC22_12913526	380.889	QSLZFOXGWUUZDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115245
COc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1OCC(C)C	EMOLS-id_43971898,PC-id_25662652,MCULE-4810144216,CoCoCo_4164251,ZINC22_13003214	380.889	FBHWXFPLAVBKBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115246
Clc1sc(CN2CCN(CC2)C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52380248	380.896	UALRZQGUAJCQNP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115247
c1(NC(=S)Nc2ccc(c(Cl)c2)C)sc2c(CCC2)c1C(=O)OC	MCULE-9103936792,TIMTEC532295,EMOLS-id_4058607,CoCoCo_6801116,ZINC22_5941876,PC-id_3305526	380.912	WRMHVNSWCBLVOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115248
CCOC(=O)c1c(/N=C(/Nc2ccc(cc2)Cl)S)sc2c1CCC2	TIMTEC28946,PC-id_8729322	380.912	YQVSMUSWGKKVEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115249
Clc1ccc(CNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_19649369	380.912	QWXXDDWKSULPBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115250
Clc1ccc(CSCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_8580157	380.912	ZLXVPIJBEYJKIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115251
Clc1cc(CNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_20166217	380.912	FDVVSMIOURRBJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115252
Clc1ccc(SC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_85007990	380.912	SAVLZLYHVKRLQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115253
Clc1cc(CSCC(=O)NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_24414303	380.912	WFJVWKQQQJVNSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115254
Clc1ccc(S[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_9430256	380.912	SAVLZLYHVKRLQE-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-115255
Clc1ccc(S[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_9430257	380.912	SAVLZLYHVKRLQE-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115256
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(cc1)C	PC-id_20415218	380.912	AJBVBGCTVKNZKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115257
Clc1c(c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1)C	PC-id_8748162	380.912	IYCNHVDVHPTYNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115258
Clc1c(CNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_19650066	380.912	ICELYAJYNLVSGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115259
CSC(C(=O)Nc1sc2c(c1C(=O)c1ccc(cn1)Cl)CCC2)C	EMOLS-id_320376667,PC-id_145896849,MCULE-8783872334	380.912	YIVDRGXBTMBIGM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-115260
CS[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cn1)CCC2	ZINC22_446614905	380.912	YIVDRGXBTMBIGM-SECBINFHSA-N	00000010100000101000000010000000000000000000000000000000	25-01-115261
CS[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cn1)CCC2	ZINC22_446614906	380.912	YIVDRGXBTMBIGM-VIFPVBQESA-N	00000010100000101000000010000000000000000000000000000000	25-01-115262
C/C=C(C1=C(C)c2n(C1CCC1(F)CCC(CC1)C(O)(C)C)cnc2)/Cl	PC-id_142610966	380.927	ITHCRFRBVMZRQT-FZSIALSZSA-N	00000011100010000001000010000000000000000000000000000000	25-01-115263
Clc1sc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)CC)cc1	PC-id_40799348	380.935	RWSULLKCWANCTK-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-115264
CCCC(=O)N1C(=O)c2c(C1=O)c(sc2Br)Br	4001941_OpenMolecule,PC-id_139089325,CT-id_4001941	381.04	YGZOELYLZYXNCR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115265
Clc1ccccc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324913664	381.065	BZOPCRRNQKYVDO-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-115266
Clc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324908558	381.065	QXCPTEFOXAQUPL-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-115267
n12c(=O)c(=Cc3ccccc3Cl)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5220387490	381.065	BZOPCRRNQKYVDO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115268
n12c(=O)c(=Cc3ccc(Cl)cc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-9145856678	381.065	QXCPTEFOXAQUPL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115269
CCC(C)CN1C(=O)c2c(sc(c2C1=O)Br)Br	PC-id_89819486,SCHEMBL15277571	381.084	DLZJHSSXHHGWHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115270
Fc1cc(Cl)c(c(c1)Br)NC1CCc2c1cc(s2)Cl	PC-id_107610297	381.091	BXWJXDCILHVEHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115271
CN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-])C=N1	PC-id_160448266	381.124	SXFKABYBBHBLSV-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115272
CN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]	PC-id_160448265	381.124	NXNZEPRIHRMFPV-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115273
BrCC(NC(=O)c1sc2c(CCC2)c1)(CBr)C	PC-id_81966220	381.127	RLANITCPZSDWPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115274
CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)CC2=C(C3=C(S2)CCC3)C#N	PC-id_148636958	381.14	NJGLKKOKWSRTBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115275
CC(C)N1C=C(C=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872146	381.147	QHAMHKVUMJYJKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115276
O=C(c1ccccc1I)c1ccc2n1CCC2C(=O)O	PC-id_13487041,CHEMBL9120	381.165	ZWBPDJVVSDJUDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115277
CC1CCc2c1c(nn2Cc1cc(F)ccc1I)C#N	MCULE-8333340707,EMOLS-id_331019513	381.187	DEOAEALEUJIPRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115278
CC1CCc2c1c(nn2Cc1c(F)cccc1I)C#N	MCULE-2605982903,EMOLS-id_331019257	381.187	YGVIFNHEAZAMEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115279
CC1CCc2nn(Cc3cc(F)ccc3I)c(C#N)c12	MCULE-3531878377,EMOLS-id_331004339	381.187	POBPDRNYQXJVIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115280
CC1CCc2nn(Cc3c(F)cccc3I)c(C#N)c12	EMOLS-id_331004083,MCULE-4106353692	381.187	TVYOOASPZGSUFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115281
CC1(CN2C=C(N=C2O1)[N+](=O)[O-])CN3CCC(C[C@H]3C(C)(C)C)OC(=O)N	PC-id_153874068	381.201	AEHFLUDZMLHFLI-JKGQDXBKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115282
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CC3CCC4=C3C(=NN4)C(=O)O)C	PC-id_153575356	381.205	MJVNPNZQGLFGRK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115283
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)N)c2=O	MCULE-3954085453	381.205	SDYPBAUJXYYLCH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115284
NC(=O)COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O	ZINC22_256055759,PC-id_117588384	381.205	SDYPBAUJXYYLCH-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115285
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2)I)n1	MCULE-1998620780,EMOLS-id_331037707	381.212	AYASISXHIHDGRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115286
c1(C(=O)N)c2C(C)CCc2n(Cc2ccccc2I)n1	MCULE-6769659837,EMOLS-id_331038219	381.212	NMQKNCAQRJEGCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115287
c1(C(=O)N)c2C(C)CCc2n(Cc2cccc(I)c2)n1	MCULE-9010633765,EMOLS-id_331037963	381.212	XAPHMTUEXZCOBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115288
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccccc1I	MCULE-3356596625,EMOLS-id_331020213	381.212	CCTZCSPMZCOLHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115289
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1)I	MCULE-3751500008,EMOLS-id_331019701	381.212	DUCRVCGNEZSWFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115290
c1(C(=O)N)c2C(C)CCc2nn1Cc1cccc(I)c1	EMOLS-id_331019957,MCULE-7096206500	381.212	PBWYLEKZLRTXKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115291
COc1cc(C(=O)NCc2nnc3n2CCC3)cc(OC)c1Br	MCULE-3607976595,ZINC22_12890459,CoCoCo_4491071,PC-id_17513930,EMOLS-id_44028113	381.224	WCWAQEVHGZZEFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115292
c12CN(Cc1sc(I)c2CO)C(=O)OC(C)(C)C	MCULE-6816073285,EMOLS-id_331066405	381.23	STRTWXQWBAGNND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115293
c1(C(=O)O)cc(Cl)c(Cl)cc1C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327783860,MCULE-7504697676	381.233	GYDPNAWHDJHDRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115294
N#Cc1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C	PC-id_140261695	381.233	JERPORHIUCMHPD-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115295
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(F)ccc(C)c2Br)n1	EMOLS-id_330993655,MCULE-1260073948	381.239	PELLNXXRIQLKLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115296
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(Br)ccc2F)n1	EMOLS-id_330995709,MCULE-9965390630	381.239	UTGYOZPXYZABBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115297
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(Br)cc(F)c2)n1	MCULE-2472725908,EMOLS-id_330996221	381.239	FHAGEWUNPVVRRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115298
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(Br)c2F)n1	MCULE-1861139884,EMOLS-id_330995965	381.239	QSAMAMPSZOKGNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115299
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(Br)c2)F)n1	MCULE-3713121882,EMOLS-id_330995453	381.239	BVTCTYMXIOTRLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115300
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2Br)F)n1	MCULE-3962419171,EMOLS-id_330997501	381.239	FICUTMZYCGVZHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115301
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2F)Br)n1	MCULE-6672680117,EMOLS-id_330994173	381.239	YFUYGFBIRGSTCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115302
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(cccc2F)Br)n1	MCULE-9689763731,EMOLS-id_330997757	381.239	ZSXJUAYAHGGODU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115303
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(F)c2)Br)n1	EMOLS-id_330994429,MCULE-1256051214	381.239	GKNNZMZIHAJTHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115304
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(F)c2Br)n1	MCULE-8077158322,EMOLS-id_330993918	381.239	WMMAKNHRYMJQFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115305
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(Br)ccc1F	EMOLS-id_330980536,MCULE-3599104047	381.239	BGOKHNOYGXPAMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115306
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(Br)cc(F)c1	MCULE-9476788555,EMOLS-id_330981048	381.239	PFSJACOEGTZYGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115307
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)F	EMOLS-id_330980280,MCULE-9136001204	381.239	DJYQMGLXJYYPEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115308
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(Br)c1F	MCULE-9975441174,EMOLS-id_330980792	381.239	WGZCYZOJDTZOCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115309
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1Br)F	EMOLS-id_330978233,MCULE-1759145736	381.239	CNKWYBGGRLRXKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115310
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1F)Br	EMOLS-id_330979000,MCULE-2387404073	381.239	RMPMNCFZUNZNLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115311
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(F)c1Br	MCULE-6778326053,EMOLS-id_330978745	381.239	NKZKZCMJFUSRJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115312
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(F)c1)Br	MCULE-9545483335,EMOLS-id_330979256	381.239	NZSFMMTWGOWESA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115313
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1Br	EMOLS-id_330978489,MCULE-5288199030	381.239	PXUJTBIMNVYTET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115314
COC(=O)c1c2C(C)CCc2nn1Cc1c(F)ccc(C)c1Br	EMOLS-id_330975411,MCULE-2324671563	381.239	TUXUJCMEAGTRCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115315
Brc1oc(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_3956420,EMOLS-id_26063045,MCULE-6825064222	381.244	PSQFXNURPQTDMK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-115316
c1(NC(=O)c2cncc(Br)c2)sc2c(CCC2)c1C(=O)OC	STOCK2S-65024,ZINC22_945183,CK1293597,Chemmine_25709,EMOLS-id_1861481,MCULE-1022377011,CoCoCo_746524,PC-id_1184626	381.244	PFMSERMYOSRIDZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-115317
NC(=O)c1c(NC(=O)/C=C/c2ccc(Br)o2)sc2c1CCC2	PC-id_2123763,ZINC22_2659925,CoCoCo_3218600	381.244	PSQFXNURPQTDMK-FNORWQNLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-115318
O=C(Nc1sc2c(c1C(=O)N)CCC2)/C=Cc1ccc(o1)Br	CoCoCo_3218601	381.244	PSQFXNURPQTDMK-ALCCZGGFSA-N	00000010101000000000000010000000000000000000000000000000	25-01-115319
CC1Cc2c(C1(F)F)n(nc2C(F)(F)F)CC(=O)ON1C(=O)CCC1=O	PC-id_134443771	381.255	DGKANZJVXMQORU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115320
O=C(Cn1nc(c2c1C(F)(F)[C@@H](C2)C)C(F)(F)F)ON1C(=O)CCC1=O	SCHEMBL20078962	381.255	DGKANZJVXMQORU-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115321
Clc1ccc(c(c1)Cl)N1CCCC(C1)NC(=O)c1nn2c(c1)OCC2	EMOLS-id_320362534,PC-id_139003515,MCULE-4603506915	381.256	GCJZQXIOHDXQPA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115322
O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc2n(n1)CCO2	ZINC22_564509695	381.256	GCJZQXIOHDXQPA-GFCCVEGCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115323
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc2n(n1)CCO2	ZINC22_564509698	381.256	GCJZQXIOHDXQPA-LBPRGKRZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115324
Brc1c(CNC(c2n3CCCc3nn2)C)cc(OC)c(OC)c1	PC-id_53535234,EMOLS-id_36632225,MCULE-6503858475	381.268	LITFZRQFGHUKLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115325
Brc1c(CN[C@H](c2n3CCCc3nn2)C)cc(OC)c(OC)c1	PC-id_52583056	381.268	LITFZRQFGHUKLS-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-115326
Brc1c(CN[C@@H](c2n3CCCc3nn2)C)cc(OC)c(OC)c1	PC-id_52583057	381.268	LITFZRQFGHUKLS-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115327
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c([nH]nc2C(F)(F)F)C)n1	EMOLS-id_8867393,MCULE-2410059748,TIMTEC151325,PC-id_19590949,ZINC22_20607501	381.276	FOLRIWINOJTOLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115328
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)N	MCULE-3400595174,PC-id_4503672	381.276	GMODQMUPNUTKSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115329
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_73552957,MCULE-8387436772	381.276	YNUVVEHMWZYEOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115330
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_3027400,MCULE-3075831634,PC-id_3976936	381.276	FLHOMHATGIKCCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115331
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_1754900,PC-id_1283014,ZINC22_1102607	381.276	FLHOMHATGIKCCI-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115332
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_1283015,CoCoCo_1754899,ZINC22_1102606	381.276	FLHOMHATGIKCCI-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-115333
Clc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1Cl	PC-id_19177062	381.276	YNUVVEHMWZYEOL-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115334
Clc1c(OCC(=O)Nc2sc3CCCc3c2C#N)c(cc(Cl)c1)C	PC-id_4511566	381.276	VAFKVRJGADRMHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115335
NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2	ZINC22_6861789,EMOLS-id_181348384,PC-id_6131668	381.276	GMODQMUPNUTKSA-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115336
Brc1cc(CCC(=O)Nc2sc3CCCc3n2)ccc1OC	PC-id_38011824	381.287	KEXJCOHOICSUJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115337
Brc1ccc(OCCCC(=O)Nc2sc3CCCc3n2)cc1	PC-id_26723163	381.287	DSCZIGCPRZUORO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115338
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(c(c1)Cl)Cl)C	PC-id_111306149	381.303	DRJQZOIWPWVPEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115339
CCNC(=NCc1nnc2n1CCC2)NC(c1ccc(cc1Cl)Cl)C	PC-id_111310292	381.303	BTSWEZHVUBWBIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115340
CN=C(NCc1nnc2n1CCC2)NCCCc1ccc(cc1Cl)Cl	PC-id_111720351	381.303	PQVSVJZVAOOHBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115341
Brc1ccc(c(c1)NC(=O)c1sc2c(c1)CCC2)C(=S)N	PC-id_107798630	381.311	DKDZAVAKZWYDRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115342
Brc1cc(c(NC(=O)c2sc3CCCc3c2)cc1)C(=S)N	PC-id_82695410	381.311	UWSURRFGRGGBDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115343
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1Br)C(=S)N	PC-id_107789647	381.311	GNZBPJMTHDMWNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115344
Cc1c(nc2n1CC(O2)COc1ccc(cc1)C1(CC1)C(F)(F)F)C(=O)N	PC-id_86342476	381.349	GXJDWBAFCYZTSI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-115345
O=C(c1cc2n(n1)CCO2)NC1(CCOCC1)c1cccc(c1)C(F)(F)F	EMOLS-id_318034046	381.349	PYCGGGLASKMCNH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115346
O=C(c1nn2c(c1)OCC2)NC1(COCC1)Cc1ccc(cc1)C(F)(F)F	MCULE-9409928310,EMOLS-id_177172950	381.349	LLWJHHWIOWFQMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115347
O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc2n(n1)CCO2	ZINC22_366022772	381.349	LLWJHHWIOWFQMY-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115348
O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc2n(n1)CCO2	ZINC22_366022773	381.349	LLWJHHWIOWFQMY-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115349
O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cc2n(n1)CCO2	MCULE-5643613935,ZINC22_654100373,EMOLS-id_316832008	381.349	RUJMVZJGXOZNJJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-115350
CC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1cc(ccc1)C(F)(F)F	PC-id_134799799	381.352	OCNHUBJNTYOHIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115351
O=C(C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F)N1CCCC1	SCHEMBL19609866	381.352	FRXZTUPOLAMEQM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-115352
O=C([C@@H]1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F)N1CCCC1	SCHEMBL19584543	381.352	FRXZTUPOLAMEQM-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-115353
S1(=O)(=O)C(c2n(C1)c(c(c2C(=O)OC)C(=O)OC)C)C(=O)c1occc1	PC-id_11417655	381.357	KJICYJVQSUZDCO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-115354
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COCc1ccc(cc1)Oc1ccccc1	PC-id_137661380	381.382	CIMAKXBXNHMVDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115355
CC1(COc2ccc(cc2)OCc2ccccc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_50913043,SCHEMBL1227765	381.382	MVSARNRIIZJLKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115356
O1C(Cn2c1nc([N+](=O)[O-])c2)COCc1ccc(OCc2ccccc2)cc1	SCHEMBL1227882,PC-id_50913632	381.382	DMYJGLUKWODGAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115357
CCc1c(C(=O)NCc2nnc3n2CCC3)cnn1c1ccc([N+](=O)[O-])cc1	ZINC22_32059005,PC-id_39296720,MCULE-2275774643,EMOLS-id_30250060	381.389	UYBAIXVLBOKDMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115358
OC1C(n2nnc(c2C1O)CO)CCCCCCCCCCCCCCC	PC-id_76387545	381.553	KVODMNHQGYOJBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115717
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(CC)c2ccc(cc2)OC)n1	PC-id_46970434,SYN-20030382,MCULE-6693340267,EMOLS-id_30437305	381.392	DVVKKZJHMRBLRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115359
c1(CN2CCC(CC2)Oc2ccc(cc2)OC(F)(F)F)c2CCCc2[nH]n1	MCULE-5743611680,EMOLS-id_337768120,ZINC22_1232426445	381.392	JKLXSUNDHPTKTN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115360
CC[C@@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccc(OC)cc1	PC-id_51593894,ZINC22_19500493,CoCoCo_494840	381.392	DVVKKZJHMRBLRP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115361
CC[C@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccc(OC)cc1	ZINC22_19500494,CoCoCo_494839,PC-id_51593895	381.392	DVVKKZJHMRBLRP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115362
FC(Oc1cccc(c1)C1(CCOCC1)NCc1cnc2n1CCC2)(F)F	EMOLS-id_318174054	381.392	SXZIZIMPLBMMMR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115363
c1(c(F)ccc(F)c1)OCC(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328032791,MCULE-6354115774	381.394	FZWXAASSWXKLCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115364
c1(NC(=O)c2ccc(cc2)OC(F)F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_3065130,CoCoCo_3268280,MCULE-9867121284,TIMTEC177899,PC-id_1233659,ZINC22_1015807	381.394	GSFLDJDPQLVLJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115365
c1(NC(=O)c2cccc(c2)OC(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_1000419,ZINC22_655660,EMOLS-id_8249508,TIMTEC592852,MCULE-5616855254,SPECS-id_AK-968/41924848,CoCoCo_6577881	381.394	ZHAKDTITOHREJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115366
FC(Oc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)C(CC2)(C)C)F	PC-id_139391451,SCHEMBL21247261	381.394	JMCHOIFYFOSQCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115367
FC(Oc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)O)C(CC2)(C)C)F	PC-id_139404235,SCHEMBL21261107	381.394	WOMVDEWAOHLYAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115368
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(OC(F)F)cccc1)C	PC-id_78674862	381.394	YPUOZMBHWRMZGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115369
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC(F)F)cccc1)C	PC-id_8359307	381.394	YPUOZMBHWRMZGP-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-115370
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC(F)F)cccc1)C	PC-id_8359316	381.394	YPUOZMBHWRMZGP-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115371
s1c2c(CCC2)c(c1NC(=O)COc1c(F)cc(F)cc1)C(=O)OCC	PC-id_40113456	381.394	UDZLJLMGEODIBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115372
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cc(C)n(C3CCCC3)n2)n1	ZINC22_20607546,EMOLS-id_8867972,TIMTEC449276,MCULE-1566051236,PC-id_19591215	381.395	SIXMTDLHGDMPBU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115373
c1(CN2CCC(CC2)COc2cccc(n2)C(F)(F)F)nnc2CCCn12	EMOLS-id_317473374,MCULE-3181005484,ZINC22_585532450	381.395	RQJMJPBUDSZBRB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115374
c1(CN2CCCC(COc3ncccc3C(F)(F)F)C2)nnc2CCCn12	EMOLS-id_317458000,MCULE-4836956202	381.395	QBOONPUTPYCPCD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115375
CCC(C(=O)Nc1cc(nn1C)C1CC1)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867357,PC-id_19590933,TIMTEC201314,MCULE-2612937354	381.395	HSOUMKRRNZJSNL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-115376
CC[C@H](C(=O)Nc1cc(C2CC2)nn1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092472,ZINC22_20607560	381.395	HSOUMKRRNZJSNL-CYBMUJFWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-115377
CC[C@@H](C(=O)Nc1cc(C2CC2)nn1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607558,PC-id_29092471	381.395	HSOUMKRRNZJSNL-ZDUSSCGKSA-N	00100010100000000001100010000000000000000000000000000000	25-01-115378
FC(F)(F)c1cccnc1OC[C@@H]1CCCN(Cc2nnc3n2CCC3)C1	ZINC22_1776000921	381.395	QBOONPUTPYCPCD-CYBMUJFWSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115379
FC(F)(F)c1cccnc1OC[C@H]1CCCN(Cc2nnc3n2CCC3)C1	ZINC22_1776000922	381.395	QBOONPUTPYCPCD-ZDUSSCGKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115380
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324917775	381.399	PEZDMLROGZUIEF-XEWCJNAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115381
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324917263	381.399	OYPCNSJRKNNSOY-VBZZJEHLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115382
Cc1ccc(/C=C/c2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1	EMOLS-id_324921859	381.399	MLGMCZPVCKCQLQ-GIBFOZDASA-N	00000000100000110001000010000000000000000000000000000000	25-01-115383
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)C=Cc1ccc(cc1)C	MCULE-4598770676	381.399	PEZDMLROGZUIEF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115384
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-8716878042	381.399	OYPCNSJRKNNSOY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115385
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)C=Cc1ccc(cc1)C	MCULE-1863226744	381.399	MLGMCZPVCKCQLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115386
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(cc1OC)OC	ZINC22_67643461,EMOLS-id_36572815,PC-id_56741941,MCULE-8781304605	381.4	KAZZNLFOPJQUGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115387
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)COc1ccccc1OC	EMOLS-id_36569643,ZINC22_67559481,MCULE-6429867097,PC-id_56740752	381.4	XIROLCIEKZDLLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115388
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)COc1cccc(OC)c1	EMOLS-id_36568187,MCULE-6590958079,ZINC22_67514005,PC-id_56740192	381.4	CRDJXCPDWJLLBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115389
CCOC(=O)c1c(NC(=O)COC(=O)C2=COCCO2)sc2c1CCC2	ZINC22_3577999,PC-id_2694727,MCULE-4244674583,EMOLS-id_45704416	381.4	FQSLVXIKGWLDSH-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-115390
CCOC(=O)Cc1c(sc2c1C(=[N+]=[N-])C(N2)C(=O)OCC)C(=O)OCC	PC-id_57320141,SCHEMBL10460114	381.404	KSZWAGGNCYUWDS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115391
COc1ccc(F)cc1NC(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1	ZINC22_190093403,PC-id_145894468,EMOLS-id_324055326,MCULE-5697329498	381.404	XMIRHAKIVJAFQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115392
Fc1cc(COc2cc(NC(=O)NCc3n4CCCc4nn3)ccc2)ccc1	PC-id_52279352	381.404	RQXLXEXDZSNRAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115393
COc1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324841215	381.405	VHCUZWIELLSYLG-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115394
COc1ccccc1OCc1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324870656	381.405	POLDKVRLAAIHRY-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115395
COc1ccccc1OCc1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324866573	381.405	JCQPWPMJIKQKHO-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115396
COc1cccc(OCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)c1	EMOLS-id_324876802	381.405	RHMDNFWVLGPGPU-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115397
COc1cccc(OCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)c1	EMOLS-id_324872719	381.405	OIBKKOCQUISKGG-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115398
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1ccccc1OC	MCULE-9626255534	381.405	JCQPWPMJIKQKHO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115399
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1ccccc1OC	MCULE-7355245598	381.405	POLDKVRLAAIHRY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115400
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1cccc(OC)c1	MCULE-5841680433	381.405	RHMDNFWVLGPGPU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115401
n12nc(nc1sc(=Cc1ccco1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3673525222	381.405	QMGLRKQYIRELBG-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-115402
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)COc1cccc(OC)c1	MCULE-5225198012	381.405	OIBKKOCQUISKGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115403
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1ccccc1	MCULE-8348034601	381.405	VHCUZWIELLSYLG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115404
s1c2CCCc2cc1C(=O)NN=Cc1oc(c2ccc([N+](=O)[O-])cc2)cc1	PC-id_85015594	381.405	LFLVUTGNJQTDMU-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-115405
s1c2CCCc2cc1C(=O)NN=Cc1oc(c2cc([N+](=O)[O-])ccc2)cc1	PC-id_85015593	381.405	NGYGVULGHYXBTR-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-115406
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(cc1)C#N)C#N	PC-id_9140952	381.405	MUJUCHTZDSGDKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115407
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(cccc1)C#N)C#N	PC-id_9275078	381.405	ZMJYHXRFMAUHIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115408
s1c2CCCc2nc1NC(=O)c1c(Oc2ccccc2)ccc([N+](=O)[O-])c1	PC-id_52637107	381.405	LHVXUTZZHAPVLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115409
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)N(C(=O)[O-])C(C)(C)C	SCHEMBL5535577,PC-id_86604819	381.407	OGPOVPSQCQTAKO-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-115410
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccsc1)NC(=O)c1ccccc1	PC-id_68441283,SCHEMBL2920450	381.408	LRULTGXBMLCMPF-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115411
O=C(N1Cc2c(C1)c(n[nH]2)NC(=O)c1cccs1)NC(=O)c1ccccc1	SCHEMBL2920602,PC-id_68441343	381.408	DWVUETRDXZHGGX-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115412
O=C(c1cc2c(s1)CCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC22_20926498,EMOLS-id_3331794,PC-id_4838457,CoCoCo_3214284,MCULE-7446600792	381.415	PDOXWYRZBMQNOY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-115413
c1(NC(=O)COc2ccccc2F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_16194791,CoCoCo_5065649,ChEMBL-DNDi_CHEMBL1895130,MCULE-3015341159,EMOLS-id_5531007,ZINC22_4341941	381.422	HUVJQNIPXQIGRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115414
CCOC(=O)C1(CCn2c1ccc2C(=O)c1ccc(cc1)C=C)C(=O)OCC	SCHEMBL9689072,PC-id_19914032	381.422	WQEFRDIPLJOECX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115415
O=C(Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)COc1ccc(cc1)F	CoCoCo_5065650,CHEMBL1606240,PC-id_7484596	381.422	ZBBFGDHZRNKVQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115416
c12c(CCC1C(=O)Nc1cccc(F)c1)sc(NC(=O)c1ccccc1)n2	MCULE-1868452583,PC-id_16947085,EMOLS-id_12346231	381.423	QOKRSJQGECXKRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115417
c1(NC(=O)CCc2oc(cn2)c2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-9663723798,EMOLS-id_322838204	381.423	IBDOBQNKPOZDIM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115418
Cc1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)ccc1F	EMOLS-id_324850418	381.423	FPOIISRDODUHFC-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-115419
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324871175	381.423	DAXSFYNGCDPGLG-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115420
Cc1cccc(C)c1OCc1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324872201	381.423	SIOKLLQKLBXOSM-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115421
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324870151	381.423	XIIWZCANRAUXBP-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115422
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)c1	EMOLS-id_324879372	381.423	CPZGFVIOIPUAOA-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115423
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)c1	EMOLS-id_324880398	381.423	ADPQEDYRYLETHH-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115424
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)c1	EMOLS-id_324878348	381.423	NQKVTXLSCOIFLP-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115425
Cc1cccc(OCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)c1C	EMOLS-id_324877321	381.423	NBNZGZBUFQREKF-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115426
Cc1cccc(OCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)c1C	EMOLS-id_324874252	381.423	TTXRSWCEHZTBEQ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115427
Cc1cccc(OCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)c1C	EMOLS-id_324876297	381.423	UWVOWJFWXYVZJH-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115428
Cc1ccc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)cn1	PC-id_97524497,EMOLS-id_44378960,ZINC22_96264558	381.423	CONHWNCDMBHXEY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115429
Cc1ccc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)nc1	ZINC22_96146812,PC-id_97442339,EMOLS-id_44303598	381.423	YYRUIYGJKAURMM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115430
Cc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324868618	381.423	NUIXAYNBVJCUNF-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115431
Cc1cc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)ccn1	EMOLS-id_44378958,ZINC22_96264557,PC-id_97524496	381.423	WNAVHUIGMGXGOO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115432
CCc1cccc(OCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)c1	EMOLS-id_324886536	381.423	HNAWSTMKAHJYBE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115433
CCc1cccc(OCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)c1	EMOLS-id_324887562	381.423	GOMQHRLUQANLMS-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115434
CCc1cccc(OCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)c1	EMOLS-id_324889607	381.423	WOIBSJVKZYFZCD-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115435
CCc1ccc(OCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1	EMOLS-id_324885518	381.423	MAOJBDKBBXORET-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115436
CCc1ccc(OCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324886529	381.423	NMAALGDEPXFZLB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115437
CCc1ccc(OCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1	EMOLS-id_324884494	381.423	MVXXDFPBNQXMDU-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115438
CCOc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324833534	381.423	VOWAMHBARYAFEK-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115439
CCOc1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324840178	381.423	ZPJIPFSWGZJGBM-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115440
Fc1ccccc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324851957	381.423	YCBBPLGGMNYHMD-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115441
Fc1cccc(c1)CNC(=O)c1sc2c(c1)N(CC2)C(=O)c1cccnc1	PC-id_97442301	381.423	QHALMNLOHHQETI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115442
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCc1ccncc1	EMOLS-id_44303580,PC-id_97442330,ZINC22_96146803	381.423	FGGLKJBWQKVHNV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115443
Fc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324850933	381.423	QQYCXLDBFSVCDP-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115444
Fc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324852983	381.423	CUEKNJGXFPSRSE-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115445
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CCCOc1ccccc1	MCULE-4114465720	381.423	QQYCXLDBFSVCDP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115446
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCCOc1ccccc1	MCULE-4514549463	381.423	YCBBPLGGMNYHMD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115447
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)COc1ccc(cc1)CC	MCULE-2665174164	381.423	MVXXDFPBNQXMDU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115448
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1ccc(cc1)CC	MCULE-6982991061	381.423	MAOJBDKBBXORET-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115449
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1cc(C)ccc1C	MCULE-4175512585	381.423	CPZGFVIOIPUAOA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115450
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1cccc(C)c1C	MCULE-4641060225	381.423	NBNZGZBUFQREKF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115451
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1c(C)cccc1C	MCULE-9618561702	381.423	DAXSFYNGCDPGLG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115452
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)COc1cc(C)ccc1C	MCULE-9848564692	381.423	NQKVTXLSCOIFLP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115453
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)COc1cccc(CC)c1	MCULE-2448987428	381.423	WOIBSJVKZYFZCD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115454
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1cccc(CC)c1	MCULE-9085801866	381.423	HNAWSTMKAHJYBE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115455
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)Cc1ccc(F)cc1	MCULE-6563093285	381.423	VOWAMHBARYAFEK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115456
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCCOc1ccccc1	MCULE-4538417278	381.423	CUEKNJGXFPSRSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115457
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1ccc(cc1)CC	MCULE-1695556822	381.423	NMAALGDEPXFZLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115458
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1c(C)cccc1C	MCULE-4047956314	381.423	SIOKLLQKLBXOSM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115459
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1cc(C)ccc1C	MCULE-4312763084	381.423	ADPQEDYRYLETHH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115460
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1cccc(C)c1C	MCULE-5079605724	381.423	TTXRSWCEHZTBEQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115461
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1cccc(CC)c1	MCULE-6451237018	381.423	GOMQHRLUQANLMS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115462
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)Cc1ccc(F)cc1	MCULE-7239853322	381.423	ZPJIPFSWGZJGBM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115463
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)COc1c(C)cccc1C	MCULE-6225658980	381.423	XIIWZCANRAUXBP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115464
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)COc1cccc(C)c1C	MCULE-9773328520	381.423	UWVOWJFWXYVZJH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115465
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)CCOc1ccccc1	MCULE-4800968421	381.423	FPOIISRDODUHFC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115466
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1ccc(cc1)C	MCULE-5646706218	381.423	NUIXAYNBVJCUNF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115467
O=C(C1CCc2c1nc(s2)N=C(c1ccccc1)O)Nc1ccc(cc1)F	PC-id_16947086,Chemmine_45411	381.423	BLSBSJCOBZSJEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115468
O=C([C@@H]1CCc2c1nc(s2)NC(=O)c1ccccc1)Nc1ccc(cc1)F	CoCoCo_5124712	381.423	BLSBSJCOBZSJEZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115469
O=C([C@H]1CCc2c1nc(s2)NC(=O)c1ccccc1)Nc1ccc(cc1)F	CoCoCo_5124713	381.423	BLSBSJCOBZSJEZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115470
O=C(Nc1ccc(F)cc1NC(=O)c1cc2c(s1)CCC2)c1ccccn1	MCULE-1570088473,PC-id_71886223,ZINC22_84609841,EMOLS-id_44548260	381.423	SQPHYXVVGKJAHS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115471
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1cccc(F)c1)c1ccccc1	CoCoCo_5124710,PC-id_40945223,ZINC22_9131269	381.423	QOKRSJQGECXKRH-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115472
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1cccc(F)c1)c1ccccc1	ZINC22_9131268,CoCoCo_5124711,PC-id_40945222	381.423	QOKRSJQGECXKRH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115473
s1c2c(CCC2)c(c1NC(=O)c1c(F)cccc1)C(=O)Nc1ncccc1	PC-id_76310341	381.423	SPMNBMGIDDLRNT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-115474
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(F)cccc1	PC-id_16947084	381.423	PAAJJOXOUYWTET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115475
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1	PC-id_16947236	381.423	QDJGAEKJKLLLHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115476
Cc1nnc2CC(CNC(=O)CN(c3cccc(F)c3)S(=O)(=O)C)Cn12	MCULE-4917868544,PC-id_137341973,EMOLS-id_317470628	381.425	HURKZWDUIYNREA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115477
Cc1nnc2n1C[C@@H](CNC(=O)CN(c1cccc(F)c1)S(=O)(=O)C)C2	ZINC22_1772712106	381.425	HURKZWDUIYNREA-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115478
Cc1nnc2n1C[C@H](CNC(=O)CN(c1cccc(F)c1)S(=O)(=O)C)C2	ZINC22_1772712108	381.425	HURKZWDUIYNREA-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115479
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NCCc1ccccc1F)[O-]	PC-id_134797499	381.425	WMLQPBKJVLBLNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115480
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9883912,EMOLS-id_16654620,MCULE-8742139333,CoCoCo_3541082,PC-id_16369320	381.427	FVRSDVSWPUCJSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115481
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)NC(=O)OC(C)(C)C	PC-id_91452635	381.427	NCANQCYWGJIIDM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115482
O1C(CCN2CCN(CC2)C(=O)OC(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481195,SCHEMBL5541555	381.427	DKYVZULZZDYTOP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115483
O1C(CN2CCCN(CC2)C(=O)OC(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081102,SCHEMBL5537949	381.427	ZKRZTFISAHJCFY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-115484
O1C(CN2CCC(N(C(C)(C)C)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479004	381.427	RKUMFMDDFJHEFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115485
O1[C@@](CN2CCC(N(C(C)(C)C)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5534341,PC-id_69479002	381.427	RKUMFMDDFJHEFW-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115486
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]	EMOLS-id_16723474,MCULE-3265094492,PC-id_25594719,CoCoCo_3532675	381.427	AAOSDWBLZKQFHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115487
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_9208036	381.427	WLAZZCHCNWOFLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115488
s1c2c(CCC2)c(c1NC(=O)CSc1[nH]c(=O)cc(O)n1)C(=O)OC	PC-id_17307804	381.427	NABALRWRCXLYBT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-115489
c12CN(Cc1cnn2CCO)C(=O)Nc1ccc(c(c1)n1cccc1)OCC	MCULE-9050723016,ZINC22_97641984,EMOLS-id_49664502,PC-id_74242646	381.428	OEEDBKXEMZUAQF-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-115490
c1(CN(C)C(=O)NCc2onc(c3cccc(OC)c3)c2)c2CCCc2[nH]n1	ZINC22_584901267,MCULE-6108493973,EMOLS-id_177489942	381.428	HGWWWMSOXKIQRB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115491
O=C1N(CCC1)c1ccc(CCC(=O)Nc2n[nH]c3c2CN(C3)C(=O)C)cc1	PC-id_68440052,SCHEMBL2916750	381.428	SWCYKWIJCNTUNW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115492
O=C1N(CCC1)c1ccc(C(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)C)C)cc1	SCHEMBL2914591,PC-id_68439285	381.428	LVHITNLSWJOWPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115493
O=C(NCc1n[nH]c2c1CCC2)C1=C(NC(=O)NC1c1c(OC)cccc1)C	PC-id_56715427	381.428	HTQKSEHZETYNPO-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-115494
O=C(N1CCn2c1ncc2)Nc1ccc(nc1)N1CCN(CC1)C(=O)C1CC1	EMOLS-id_319774574	381.432	RZEAXELQILKCAD-UHFFFAOYSA-N	00100010100010101001100010000000000000000000000000000000	25-01-115495
O=C(c1sc2c(c1)CCC2)NS(=O)(=O)C1CCC(CC1)C(F)(F)F	EMOLS-id_112051559	381.434	IZRAVZDBOKPWTQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115496
Cn1nccc1c1cn(C[C@@H]2CC[C@H](NC(=O)[C@@H]3Cc4nncn4C3)C2)nn1	ZINC22_2325872678	381.435	JDGWRLINIXSXDK-MCIONIFRSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115497
Ic1cc(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1	PC-id_45637922	427.257	TYPZQNNYYKVMNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134808
Cn1nccc1c1cn(C[C@@H]2CC[C@H](NC(=O)[C@H]3Cc4nncn4C3)C2)nn1	ZINC22_2325872679	381.435	JDGWRLINIXSXDK-RDBSUJKOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115498
CC1CCC(CC1C)n1cc(cn1)C(C(F)(F)F)NC1CCn2c1ncc2	PC-id_136574091,MCULE-3523350590,EMOLS-id_317019438	381.438	JEPPYKOGBBECKB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115499
Fc1cccc(c1)C(=O)c1c(NC(=O)C[n+]2ccccc2)sc2c1CCC2	ZINC22_35288772,PC-id_43814206,GD-id_ZINC35288772,ASN-06262732,EMOLS-id_24665801	381.443	VWJMHNLENXAYST-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-115500
O=CNc1ccc(cc1/C(=C/1CCc2c1[nH]c(c2C(=O)N1CCCC1)C)/C)F	PC-id_143004558	381.443	GVTCMFGBVJIWEL-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115501
CCOC(=O)c1c(NC(=O)c2ccc(o2)c2ccccc2)sc2CCCc12	MCULE-3480954648,EMOLS-id_328204137	381.445	UTBAWORYELNDFA-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-115502
c1(NC(=O)C(=O)N2CCN(CC2)CCO)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4738166,CoCoCo_6533755,MCULE-3834057213,ZINC22_20573446,STOCK6S-09016,PC-id_8034972	381.447	CUSGEDVKMBICRU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115503
c1(NC(=O)C(=O)NCCN2CCOCC2)sc2c(CCC2)c1C(=O)OC	PC-id_8069768,ZINC22_20573759,EMOLS-id_4742827,STOCK6S-12163,MCULE-6632764314	381.447	AXBSBPZRLQVWNM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115504
c1(sc2c(CCC2)c1C(=O)OC)NC(=O)N1CCN(CC1)C(=O)OCC	STOCK6S-06526,MCULE-2460725416,ZINC22_6661825,PC-id_8030201,EMOLS-id_4734448	381.447	RMTUIAGDNTVFIY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115505
c12c(CCC1C(=O)NCc1ccco1)sc(NC(=O)c1ccc(cc1)C)n2	EMOLS-id_12347145,PC-id_16947542,MCULE-3969125821	381.448	KDCSTIDLDKQIKD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115506
c1(c2CCCc2sc1NC(=O)c1cc(on1)C)C(=O)Nc1ccc(cc1)C	MCULE-8517522144,ZINC22_13329168,PC-id_17173351,CoCoCo_1073899,EMOLS-id_13331579,TIMTEC460336	381.448	SVFYGFMLURDQKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115507
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cc(c2ccccc2)[nH]n1	EMOLS-id_328129057,MCULE-7394135807	381.448	HVHKPAQFGHNEOG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115508
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)nccn1c1ccccc1	MCULE-1752907641,EMOLS-id_328206692	381.448	JWLXGKUVNSDKLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115509
c1(NC(=O)C2(CCCC2)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	PC-id_17148168,CoCoCo_6761288,ZINC22_10372896,EMOLS-id_7691258,MCULE-6366848522,SPECS-id_AN-153/I290861	381.448	DZSQOZQLYBKPTR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-115510
c1(NC(=O)c2cncc(C)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334341026,MCULE-7679143750	381.448	ISYIAUQMULJFEZ-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-115511
c
(=N/C(=O)c2n(C)cc(c(=O)c2)OCc2ccccc2)/sc2c(CCC2)[nH]1	STOCK7S-11183,EMOLS-id_46559585,MCULE-7297947284,PC-id_51054960,EMOLS-id_31669958,ZINC22_49551415	381.448	CLFBYKFPZYGSEG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-115512
c1(NC(=O)C(=Cc2ccc(cc2)OCC)C#N)sc2c(CCC2)c1C(=O)N	MCULE-4336015197,PC-id_73551858	381.448	IQCYZHWSXBSBTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115513
c1(NC(=O)COc2ccc(cc2)NC(=O)C2CC2)sc2c(CCC2)c1C#N	EMOLS-id_323207880,MCULE-3902443329	381.448	VUXYVEFYPGRVDS-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-115514
c1(NC(=O)COc2cccc(c2)NC(=O)C2CC2)sc2c(CCC2)c1C#N	EMOLS-id_323211548,MCULE-4887193310	381.448	QJUPRKULTVJGGO-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-115515
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccco2)cc1	CoCoCo_5124815,ZINC22_9132167,PC-id_40946048	381.448	KDCSTIDLDKQIKD-HNNXBMFYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115516
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccco2)cc1	PC-id_40946049,CoCoCo_5124814,ZINC22_9132168	381.448	KDCSTIDLDKQIKD-OAHLLOKOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115517
Cc1nc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc1C(=O)O	MCULE-7881889381,EMOLS-id_328222841	381.448	VMOZLTLKYLGHIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115518
CCc1oc(c2ccccc2C(=O)N)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1822113,PC-id_56682206	381.448	PZMIWIKAWLEWJS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-115519
C=C/C=C(/c1cn2c(n1)s/c(=Cc1ccc(c(c1)OC)O)/c2=O)C=C(/N)C	PC-id_121367227,SCHEMBL17787943	381.448	RBYCKHWHYNFKOE-ATQJPZROSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115520
COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4310719607,EMOLS-id_182608055,PC-id_17322023	381.448	DISLLCWEMLFVSD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-115521
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1OCc1ccncc1	CoCoCo_4776359,MCULE-6147195837,ZINC22_31916002,EMOLS-id_24048595,PC-id_39127466	381.448	NOFBYMOYOHQULT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-115522
n1c2CCCc2sc1CCNC(=O)c1cccc(c1)c1ccc(C(=O)N)o1	ZINC22_426434170,PC-id_121499074,EMOLS-id_177395953,MCULE-5467270535	381.448	WZWHUQGVZUREOK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-115523
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1scc(C(=O)O)n1	MCULE-8952328733,EMOLS-id_328216187	381.448	UJHDQGQGFSVAKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115524
N1(CC(O)CC1C(=O)Nc1sc2CCCc2c1C#N)C(=O)c1ccccc1	EMOLS-id_328193167,MCULE-4486655832	381.448	CNZOYSBKBLBBGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115525
N#Cc1c(NC(=O)CN(Cc2ccco2)Cc2ccco2)sc2c1CCC2	MCULE-3539561351,EMOLS-id_3681837,ZINC22_7726175,PC-id_8841255,CoCoCo_4118508	381.448	KAVYXQDVMZZVAK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-115526
s1c2CCCc2cc1C(=O)OCC(=O)Nc1n(nc(c1)C)c1ccccc1	PC-id_7238934	381.448	DEIHZDQUQXXAJN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115527
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCC)cc1)/C#N)C(=O)N	PC-id_19174992	381.448	IQCYZHWSXBSBTL-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115528
Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cc3c(s2)CCC3)n1	CoCoCo_2840874,PC-id_2557262,EMOLS-id_3391241,ZINC22_3437413,MCULE-6749310012	381.451	HHLBTGIORSMVAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115529
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1nc(cs1)c1ccc(cc1)C	SCHEMBL2696658,PC-id_87424216	381.451	FMJOCNJGVJGHBM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115530
Cc1nc(C(=O)NC[C@H]2CCc3ncc(C(=O)Nc4ccccc4)n23)cs1	ZINC22_1565554156	381.451	SFCHYBORXMRTGE-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115531
Cc1nc(C(=O)NC[C@@H]2CCc3ncc(C(=O)Nc4ccccc4)n23)cs1	ZINC22_1614934683	381.451	SFCHYBORXMRTGE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115532
Cc1nc(cs1)C(=O)NCC1CCc2ncc(C(=O)Nc3ccccc3)n12	EMOLS-id_313761231	381.451	SFCHYBORXMRTGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115533
C[C@H](C(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1)n1cncn1	PC-id_32592839,ZINC22_25295952,CoCoCo_4873684	381.451	XORDORRCCBUATE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115534
C[C@@H](C(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1)n1cncn1	ZINC22_25295950,PC-id_32592837,CoCoCo_4873683	381.451	XORDORRCCBUATE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115535
CC(n1ncnc1)C(=O)Nc1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	MCULE-1510402509,PC-id_45886394,EMOLS-id_29630621	381.451	XORDORRCCBUATE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115536
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(NC(=O)c2cccs2)cc1	PC-id_17506229,MCULE-9148691051,CoCoCo_4469499,EMOLS-id_16695679,ZINC22_12996139	381.451	RGKHCPRYRKTFNC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115537
n1c2CCCc2sc1CCNC(=O)c1cccc(c1)c1cc(O)nc(N)n1	PC-id_137086625,MCULE-9050449995,EMOLS-id_177455966,ZINC22_426552428	381.451	ZYCGGDRBTYJHAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115538
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)CCc1cccs1	PC-id_68440539,SCHEMBL2918164	381.451	VICKBCBXWLGFTE-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115539
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)Cc1cccs1	SCHEMBL2918485,PC-id_68440621	381.451	AIKVHXBTELLSFC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115540
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)Cc1cscc1	PC-id_68439569,SCHEMBL2915324	381.451	XVCWPSKWMNRXCT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115541
s1c2CCCc2cc1C(=O)OCc1nc(Nc2ccc(cc2)C)nc(n1)N	PC-id_8025709	381.451	GCCVDYDVBJHGJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115542
s1cc(nc1)Cn1nc(c2oc(CNCc3n4CCCc4nn3)cc2)cc1	MCULE-6400941700,PC-id_29029928,EMOLS-id_23834229,CoCoCo_1598950	381.455	KRDMRYFLKOKHRT-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-115543
CCCCc1cc2n(c1C(=O)c1ccccc1OC)CC=C2C(=O)OC(C)C	PC-id_70619102,SCHEMBL11602543	381.465	OBJSERPFZCDOBJ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-115544
c1(sc2c(CCC2)c1C(=O)OCC)NS(=O)(=O)c1cccc(OC)c1	ZINC22_630331,EMOLS-id_2212581,SPECS-id_AQ-750/41792269,PC-id_983993,CHEMBL1604473,MCULE-9239738587,ChEMBL-DNDi_CHEMBL1604473,CoCoCo_931455	381.466	GVHYICNIQUJBAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115545
CCOc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1	ZINC22_408622872	381.466	WNYCTMGDGRVOED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115546
CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_59413042	381.466	GIPNWRJYXWTXOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115547
CCOC(=O)/C=C
/SCC(=O)N1CCOC(=O)c1cc2c(s1)CCC2	CoCoCo_4032801,ZINC22_96889623,PC-id_97722333	381.466	YYKCXSUXUVWGHX-OQLLNIDSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115548
CCOC(=O)/C=C/1SCC(=O)N1CCOC(=O)c1sc2c(c1)CCC2	CoCoCo_4032800,PC-id_7503691	381.466	YYKCXSUXUVWGHX-DHDCSXOGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115549
CCOC(=O)C=C1SCC(=O)N1CCOC(=O)c1sc2c(c1)CCC2	MCULE-6858841190,EMOLS-id_26204525,PC-id_72068920	381.466	YYKCXSUXUVWGHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115550
COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(C)c2)sc2c1CCC2	ZINC22_408615768	381.466	RYZMQCGRBYZRIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115551
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccc(F)cc1)CC#C)C#N	PC-id_56173645	381.466	QQOCNZLCDZSGKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115552
CCOC(=O)N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-4604353277,EMOLS-id_328337311	381.468	VHZZOBQOGFESSW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115553
CC(=O)Oc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109899	381.468	MGVOSRVYWBACNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115554
CN1CCN(CC1)CCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_101838939	381.468	RFDLFSAGGRAGSN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115555
COC(=O)c1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109831	381.468	ZJBYBNBHSZVQQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115556
c1ccc(cc1)C(c1ccccc1)(c1ccccc1)OC[C@@H]1CCc2n1ncn2	PC-id_57907619,SCHEMBL1155562	381.47	NLQSTXLDOPJTGQ-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115557
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CC(=O)N1CCOCC1	MCULE-7891200774,EMOLS-id_186581047	381.47	AZQYPWKZCGNCFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115558
CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1onc2c1CSC2)CC	GD-id_ZINC44449773,PC-id_49719085	381.47	YHXGDLCBOKQYCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115559
COc1ccc(cn1)C(=O)c1cc2c(s1)N(C(C2)C)S(=O)(=O)N(C)C	SCHEMBL14670770,PC-id_71244227	381.47	KGFQVUKMYBEBFX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-115560
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N(C)C	MCULE-6166016363,ZINC22_58132607,PC-id_51110566,EMOLS-id_33336648	381.47	KRLIKUPNQNLOET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115561
O(CC1n2ncnc2CC1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_53488032	381.47	NLQSTXLDOPJTGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115562
O=C(Nc1onc2c1CCC2)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC22_8976476,EMOLS-id_12336643,CoCoCo_5123859,MCULE-5407278438,PC-id_16828679	381.47	YNEQHIOMSKAJCE-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115563
O=C(Nc1onc2c1CCC2)[C@H]1CCCCN1S(=O)(=O)c1cccs1	PC-id_40894078,ZINC22_8976517,CoCoCo_5123879	381.47	MEHFKOCEGLTHRN-CYBMUJFWSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115564
O=C(Nc1onc2c1CCC2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1	PC-id_40894079,ZINC22_8976518,CoCoCo_5123878	381.47	MEHFKOCEGLTHRN-ZDUSSCGKSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115565
O=C(Nc1onc2c1CCC2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	CoCoCo_5123876,ZINC22_8976513,PC-id_40894076	381.47	NDNPCFJFJOEGNT-NSHDSACASA-N	00000010100110000001000010000000000000000000000000000000	25-01-115566
O=C(Nc1onc2c1CCC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	CoCoCo_5123877,PC-id_40894077,ZINC22_8976514	381.47	NDNPCFJFJOEGNT-LLVKDONJSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115567
O=C(Nc1onc2CCCc12)C1CCCCN1S(=O)(=O)c1cccs1	EMOLS-id_12336723,MCULE-5852086480,PC-id_16828685	381.47	MEHFKOCEGLTHRN-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115568
O=C(Nc1onc2CCCc12)C1CCCN(C1)S(=O)(=O)c1cccs1	PC-id_16828684,EMOLS-id_12336719,MCULE-3630723564	381.47	NDNPCFJFJOEGNT-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-115569
OC(=O)Cc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CNC2C(C)C	SCHEMBL19772143	381.47	DBOIYUZLKLRFPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115570
OC(=O)Cc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CN[C@H]2C(C)C	SCHEMBL16224725,PC-id_117688903	381.47	DBOIYUZLKLRFPF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115571
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N1CCOCC1)C)C(=O)N	PC-id_8711548	381.47	GQNSZSKNEPUMJA-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115572
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCC[NH+]1CCOCC1)C(=O)N	PC-id_8031238	381.47	XEGFQTOVEALKIN-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115573
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)CC)C(=O)[O-]	PC-id_10091242	381.47	RBKIDCARBONCRG-GCDPNZCJSA-N	00001011100000000001001010000000000000000000000000000000	25-01-115574
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)CC)C(=O)[O-]	PC-id_10339815	381.47	RBKIDCARBONCRG-RTOGKPCTSA-N	00001011100000000001001010000000000000000000000000000000	25-01-115575
S(=O)(=O)(N1CCCC1)c1c(oc(c1)C(=O)Nc1sc2CCCc2n1)C	PC-id_52326224	381.47	RPNJDVBKAPUNAD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-115576
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)C1(CCCCC1)C	MCULE-6917923724,EMOLS-id_207863140	381.471	GBXHJLWIHFSFOB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115577
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)CC1CCCCC1	EMOLS-id_168604203,MCULE-1921744465	381.471	BZFXNFXHCYVAKQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115578
C1Cc2c(n(c(=O)n2C1)CCCCN1CCN(CC1)c1ccccc1C#N)O	PC-id_91931502,BindingDB_PC-id_91931502	381.471	QSLRNTRVEJLWTM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115579
c1(C(=O)N2CCC(CC2)N2CCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-5808619304,EMOLS-id_316329778	381.471	AIYVQYJXEXMMCC-IBGZPJMESA-N	00000010100010101001100010000000000000000000000000000000	25-01-115580
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)C2CCN(CC2)C)n1	MCULE-3233924822	381.471	UFTFFAMEISZTMP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115581
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)C2CCN(CC2)C)n1	MCULE-4386284261,EMOLS-id_316331318	381.471	UFTFFAMEISZTMP-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115582
c1(C(=O)NCc2cccnc2)cnn2CC(Cc12)NC(=O)C1(CCCCC1)C	MCULE-5060804120	381.471	YHVOWZFKXHNNSV-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115583
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)C1(CCCCC1)C	EMOLS-id_316325680,MCULE-3450023742	381.471	YHVOWZFKXHNNSV-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115584
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CC3CCCCC3)Cc12	EMOLS-id_316325168,MCULE-2448834547	381.471	CGGRINWCMCBXSX-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115585
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CCC3CCCC3)Cc12	EMOLS-id_316323120,MCULE-3389260495	381.471	NZRVITQENIGDPJ-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-115586
c1(C(=O)NCc2cccnc2)cnn2CC(NC(=O)CC3CCCCC3)Cc12	MCULE-9800045159	381.471	CGGRINWCMCBXSX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115587
Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101435169	381.471	ZVPJRKSBHDINFZ-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-115588
CCOc1ccccc1/C=c/1sc2nc(/C=C/c3cccs3)nn2c1=O	ZINC22_27021954,EMOLS-id_45970260	381.471	IZIPBZXXDAQTSG-KDNHCMJDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115589
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	PC-id_9977141,CHEMBL606336,BindingDB_PC-id_9977141	381.471	DUZMNSPOOJGCPL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115590
COc1ccc(c2sc(C(=O)Nc3c(C#N)c4c(CCC4)s3)cn2)cc1	MCULE-2462544214,EMOLS-id_322836666	381.471	PHPDPEZYFMLAQF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115591
CSc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324843762	381.471	JQOUQSLLJRCCJJ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115592
n12nc(nc1sc(=Cc1ccccc1OCC)c2=O)C=Cc1cccs1	MCULE-8794881160	381.471	IZIPBZXXDAQTSG-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115593
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)COc1ccccc1	MCULE-4235731035	381.471	JQOUQSLLJRCCJJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115594
n12nc(nc1sc(=Cc1sccc1C)c2=O)C=Cc1ccc(cc1)OC	MCULE-3372472907	381.471	ISFPGGWNLICIKR-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115595
O=C1N(CC(CC1)C(=O)NCc1n2CCCc2nn1)CCCc1ccccc1	PC-id_45209772	381.471	WZACPDMISPYPRH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115596
O=C1NCCN(C1CC(=O)NCc1n[nH]c2c1CCC2)Cc1ccc(cc1)C	PC-id_45205206	381.471	ZQNYZIGCSQGTEV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115597
O=C(c1nn2c(c1)CC(C2)Oc1ccncc1)N1CCC(CC1)N1CCCC1	MCULE-3638221164	381.471	AIYVQYJXEXMMCC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-115598
O=C(CCCc1ccccc1)N1CCN(C(=O)N[C@@H]2CCn3ccnc23)CC1	ZINC22_836519233	381.471	XREODZPBYHODMH-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115599
O=C(CCCc1ccccc1)N1CCN(C(=O)N[C@H]2CCn3ccnc23)CC1	ZINC22_836519236	381.471	XREODZPBYHODMH-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115600
O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(cc1)C)NCc1[nH]nc2c1CCC2	CoCoCo_1345727,CoCoCo_1345723,CoCoCo_1345729,CoCoCo_1345725	381.471	ZQNYZIGCSQGTEV-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115601
O=C(C[C@H]1C(=O)NCCN1Cc1ccc(cc1)C)NCc1[nH]nc2c1CCC2	CoCoCo_1345728,CoCoCo_1345722,CoCoCo_1345724,CoCoCo_1345726	381.471	ZQNYZIGCSQGTEV-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-115602
O=C([C@H]1CCC(=O)N(C1)CCCc1ccccc1)NCc1nnc2n1CCC2	CoCoCo_1374957	381.471	WZACPDMISPYPRH-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115603
O=C([C@@H]1CCC(=O)N(C1)CCCc1ccccc1)NCc1nnc2n1CCC2	CoCoCo_1374958	381.471	WZACPDMISPYPRH-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115604
O=C(Nc1cccc(c1C)C)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98010380	381.471	MJLPBJFGUGUKCL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115605
O=C(Nc1c(C)cccc1C)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_99307262	381.471	VCYRDZYODFZGFZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115606
c1(NC(=O)CSc2nnc(C)n2N)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1966921,PC-id_2603759,MCULE-1708937647,EMOLS-id_6784151,ZINC22_3486348	381.473	QPBVRSXZQNXRHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115607
CCCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n[nH]c1=O	CoCoCo_3116735,EMOLS-id_13378767,ZINC22_6888206,PC-id_2524839,MCULE-3219090342	381.473	VUURZCLIRNWSSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115608
CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc2n1CCS2)CC	PC-id_22582979,CoCoCo_2590539,ChEMBL-DNDi_CHEMBLF2079-0127	381.473	PDMLIICLOQXUBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115609
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCOC)cnn1)C(=O)N	PC-id_29933439	381.473	RVSZOCGCZFGPFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115610
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C(C)C)C(=O)OC	PC-id_27139102	381.473	DRBNSLWWNGFBFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115611
CCNC(=NCc1ccc(cc1)N1CCCC1=O)NCc1nnc2n1CCC2	PC-id_111020429	381.475	WXDYTGPRKZBTLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115612
N#Cc1c(NC(=O)CSc2ncn(c3ccccc3)n2)sc2c1CCC2	PC-id_3344749,ZINC22_11475756,CoCoCo_4496699,MCULE-4046618868,EMOLS-id_13482874,CoCoCo_4496698	381.475	RQZNOZFYXIHTOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115613
s1c2CCCc2c(c1NC(=O)CSc1n(c2ccccc2)cnn1)C#N	PC-id_8787059	381.475	UMGBZDAQRDBGNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115614
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)c1ccccc1)C#N	PC-id_8570127	381.475	NAGCJJLDUBLHJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115615
n12N=C(C(C)(C)C)C(=NNC3=NN=C(C(C)(C)C)C3=C=N)c1nnc2C(C)C	PC-id_72243390	381.478	YGVNRZLHENESOL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-115616
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(C(C)(C)C)c3C#N)c1nnc2C(C)C	PC-id_59247729	381.478	KZLYKCJTQUMQAA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-115617
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(C(C)(C)C)c3[N+]#[C-])c1nnc2C(C)C	PC-id_59247730	381.478	DMLNNQSEIVPTAU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-115618
CCOC(=O)c1c(NC(=O)CCCCCCCC(=O)O)sc2CCCc12	EMOLS-id_328087589,MCULE-6040409030	381.486	FUUBBAIDLSMFLS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115619
CC1CC(CCC1=O)C(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCC2	EMOLS-id_98787641	381.488	WVDFGCREOXOJEG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-115620
O=C1CCC(C(C1)C)C(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCC2	EMOLS-id_98855909	381.488	VLGNQFWFWJBLCY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-115621
OCCN1CCN(C[C@@H]1C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_142771230	381.49	NPEISYSLTWNXNJ-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115622
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CCO)C(=O)OCC	PC-id_52309517	381.49	DCFWWXBYGWOEGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115623
s1c2c(CCC2)c(c1NC(=O)CN(CC)CC(=O)NCC)C(=O)OCC	PC-id_9433099	381.49	BTZQNOBMGFLYFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115624
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N(CC)CC)C)C(=O)OC	PC-id_26628217	381.49	MNERNQTVYAMRDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115625
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)(C)C)C)C(=O)OC	PC-id_34163259	381.49	HVQNKBRXGNJUMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115626
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)C)CC)C(=O)OC	PC-id_51171204	381.49	NXUROBMVEBDCSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115627
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)C)C)C(=O)OCC	PC-id_27651473	381.49	TWNNZOXLWVBMJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115628
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NCCC)C)C(=O)OCC	PC-id_9303071	381.49	HGFJPLOSLLSGAV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115629
c1(NC(=O)CCCCCNC(=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_322626627,MCULE-3148671675	381.491	NQHCPESYRVTLQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115630
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_322624334,MCULE-4132369926	381.491	BKPJJSOQLUBCOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115631
CC1c2cc(sc2S(=O)(=O)N1CCN1CCOCC1)S(=O)(=O)N	PC-id_19737994,SCHEMBL9597492	381.491	XBPYKXYNMYWUHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115632
C=CCOc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1	EMOLS-id_24488370,CoCoCo_3585225,CoCoCo_3585226,MCULE-2617462942,ZINC22_6911020,PC-id_8111353	381.491	OPLDMTKUYFEFAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115633
CCN(C(=O)C(C)(C)C(=O)Nc1sc2CCCc2c1C#N)c1ccccc1	MCULE-8382802875,EMOLS-id_328165355	381.491	CBBDNAYRBRHJAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115634
CSc1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109431	381.491	DNYUGGPHSTXTOC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115635
N#Cc1c(NC(=O)C(N2CCOC(C2)c2ccccc2)C)sc2c1CCC2	EMOLS-id_99023367	381.491	OZRWHUBGBQEROM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115636
NC(=O)c1c(NC(=O)CN2CC=C(c3ccccc3)CC2)sc2c1CCC2	EMOLS-id_43418473,CoCoCo_3575415,PC-id_8759636,CoCoCo_3575416,MCULE-2604483643,ZINC22_7651395	381.491	BKYUTVRPSYQYGV-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-115637
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)C(c1ccc(OC)cc1)C#N	PC-id_78823961	381.491	RWOBHDGJIRXSBT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115638
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)Cc1ccc(OC)cc1)C#N	PC-id_8770227	381.491	BGTYEKLOQOLBQU-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-115639
s1c2CCCc2nc1NC(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1	PC-id_26723394	381.491	QIYTZLGGFVZQSV-MDZDMXLPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115640
s1c2CCCc2nc1NC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1	PC-id_85461801	381.491	QIYTZLGGFVZQSV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115641
CC(C(=O)N1CCCC1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100238407	381.493	RBYASBZNGIIGMT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115642
O=C(C1CCCN1)NCC1CCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_302976392,MCULE-2440750140,PC-id_121703653	381.493	DIWJSJIFTWABKY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115643
O=C(N1CCCC1)CN1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100180271	381.493	SBQVEJYYJBNRJC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-115644
O=C(N1CCCCC1)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100178012	381.493	ISGMIUQAZGNSSN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115645
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCN(CC1)CCO	PC-id_7685584	381.493	ZUZNSNKLHRWZML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115646
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCN1CCOCC1	PC-id_7685495	381.493	PEGAGAWJQNWTPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115647
c1(NC(=O)C2CCN(CC2)c2nc(C)cc(C)n2)sc2c(CCC2)c1C#N	EMOLS-id_182631900,MCULE-3372068251,PC-id_108805761	381.495	RCMRUTIVWRAIMF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-115648
CC(C)c1ccc(n2ccnc2SCC(=O)N[C@H]2CCn3cncc23)cc1	ZINC22_857990486	381.495	VSPYPWZNEZXNAG-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115649
CC(C)c1ccc(n2ccnc2SCC(=O)N[C@@H]2CCn3cncc23)cc1	ZINC22_857990487	381.495	VSPYPWZNEZXNAG-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115650
CC(C)N(Cc1cc2c(s1)CCC2)C(=O)Nc1cnn(c2ccccn2)c1	ZINC22_2325748384	381.495	GOIUKEKKVQLZTC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-115651
N#Cc1c(NC(=O)CCN2CCc3c(C42CCC4)[nH]cn3)sc2c1CCC2	EMOLS-id_319962612,MCULE-4352678641	381.495	CSUIOFRWYRGKEN-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-115652
CCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)CC)C	SCHEMBL11605125,PC-id_20351669	381.508	HNRHNTGJPGVJSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115653
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#CCC1CCCCC1)C(=O)O	SCHEMBL13786732,PC-id_57791654	381.51	ZINLDZKMVPOLIJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115654
CCOC(=O)c1c(NC(=O)CC[N@@H+]2C[C@H](C)O[C@H](C2)C)sc2c1CCC2	PC-id_6973091,GD-id_ZINC00947899	381.51	MGPMHJCJCPPNSO-STQMWFEESA-O	00000010100010000001000010000000000000000000000000000000	25-01-115655
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@@H](O[C@@H](C1)C)C)C(=O)OCC	PC-id_6973089	381.51	MGPMHJCJCPPNSO-BETUJISGSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115656
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C[C@H](O[C@@H](C1)C)C)C(=O)OCC	PC-id_6973090	381.51	MGPMHJCJCPPNSO-CHWSQXEVSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115657
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CC(OC(C1)C)C)C(=O)OCC	PC-id_3260001	381.51	MGPMHJCJCPPNSO-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115658
c1(CN(C2CCCC2)C(=O)CCc2ccc(OC)cc2)c2CCCc2n(C)n1	PC-id_86266583,MCULE-2639142676,EMOLS-id_50145334	381.511	VXEABVXRLKAVDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115659
CCOc1ccc(cc1)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109812	381.511	LQTWZIDXQKESRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115660
CC(Oc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109761	381.511	PDRVDLYDECJKAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115661
CN(C)C(=O)CCCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7248611787,EMOLS-id_328213115	381.511	ZKACUYOFBPSOBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115662
COc1ccc(cc1C)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109966	381.511	XUWXYGTYBVOKIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115663
c1(NC(=O)C2CCN(CC2)S(=O)(=O)CCC)sc2c(CCC2)c1C#N	MCULE-7495493515,ZINC22_6746854,PC-id_6473043,CoCoCo_1058351,ChEMBL-DNDi_CHEMBL9067180,EMOLS-id_2552961	381.513	SVLBKABMYDTSMQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115664
c1(NC(=O)CS(=O)CC(=O)N(C)CCCC)sc2c(CCC2)c1C#N	EMOLS-id_320678249,MCULE-3018349226	381.513	QQXDBBATMAQKFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115665
c1(NC(=S)NNC(=O)C2CCCCC2)sc2c(CCC2)c1C(=O)OC	PC-id_4508595,CoCoCo_6797570,MCULE-6048511950,EMOLS-id_4059355,TIMTEC150059	381.513	FNBJKQWRWGPELL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115666
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCCN(C(=O)C)CC1	CoCoCo_6964802,EMOLS-id_30081126,PC-id_44216477,MCULE-3836941630,SPECS-id_AO-476/43417036,ZINC22_36646053	381.513	QRASKWLAOFPGJL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-115667
CCOC(=O)c1c(NC(=S)N2CCN(C(=O)C)CC2)sc2c1CCC2	CHEMBL4532820	381.513	FWBTVBRSSUBPJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115668
N#Cc1c(NC(=O)C(N2CCC(S(=O)(=O)CC2)C)C)sc2c1CCC2	EMOLS-id_100720867	381.513	SGVDUAGSKOPBPC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-115669
N#Cc1c(NC(=O)C(N2CCS(=O)(=O)CC(C2)C)C)sc2c1CCC2	EMOLS-id_100836115	381.513	DMJTZVNMIIDNQR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-115670
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)CC)C(=O)N	PC-id_8796817	381.513	YNBGWXSKSSHGDJ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-115671
s1c2c(CCC2)c(c1NC(=S)NCCCN1CCCC1=O)C(=O)OC	PC-id_20167478	381.513	LUVASKSWMZVXHM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115672
S1(=O)(=O)C[C@H](N(CCC(=O)Nc2sc3c(CCC3)c2C#N)CC)CC1	PC-id_52884463	381.513	ZDCAFUJIIJFDIJ-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115673
S1(=O)(=O)C[C@@H](N(CCC(=O)Nc2sc3c(CCC3)c2C#N)CC)CC1	PC-id_52884464	381.513	ZDCAFUJIIJFDIJ-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115674
S1(=O)(=O)CC(N(CCC(=O)Nc2sc3c(CCC3)c2C#N)CC)CC1	PC-id_75979400	381.513	ZDCAFUJIIJFDIJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115675
c1(C(=O)N[C@@H]2CCC[C@@H](CN(C)CCc3ccccn3)C2)c2CCCc2[nH]n1	EMOLS-id_337675187,ZINC22_2100478193,MCULE-4827758455	381.514	YIYIYTSAHNVNSE-SJLPKXTDSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115676
c1(NC(=O)NCCC2CCN(CC2)Cc2ccccc2)n(C)nc2CCCc12	MCULE-4423699251,EMOLS-id_49174154,PC-id_72927216,ZINC22_96165377	381.514	TYGZOCALLSJAPE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115677
CC(C)(C)c1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324831994	381.514	QSGMEZUMCOKHNE-WJDWOHSUSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115678
CC(C)(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1NCc2n[nH]cc12	ZINC22_1875392739	381.514	RHJGOLKNKZFKQN-AHRSYUTCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115679
CC(C)(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1NCc2n[nH]cc12	ZINC22_1875392740	381.514	RHJGOLKNKZFKQN-NSISKUIASA-N	00000010100000110001000010000000000000000000000000000000	25-01-115680
CCCCN(c1ccc(c(c1)C)/N=C
/C(=Nc2n1nc(c2COC)C)C)CC	SCHEMBL13237781	381.514	HZIKNLFLVCAKQW-FLFQWRMESA-N	00000011100000110001000010000000000000000000000000000000	25-01-115681
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)Cc1cccs1	MCULE-2645550098	381.514	QSGMEZUMCOKHNE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115682
O(Cc1c2n(nc1C)/C(=N/c1c(cc(N(CCCC)CC)cc1)C)/C(=N2)C)C	PC-id_59211639	381.514	HZIKNLFLVCAKQW-DARPEHSRSA-N	00000011100000110001000010000000000000000000000000000000	25-01-115683
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1ccccc1)C#N	PC-id_51613222	381.514	PWQMTSWEHOJFPS-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-115684
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1cc(ccc1)C)C#N	PC-id_34732949	381.514	FWISRTBFLAORPN-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-115685
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(cccc1)C)C#N	PC-id_8726556	381.514	RBQWYFYHPQLCPZ-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-115686
Cc1ccc(cc1)NC(=S)C1Cn2c(nsc2=Nc2ccc(cc2)C)N1	PC-id_136750348	381.518	IEKDOUVPPMTFFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115687
CCC(c1ccccc1)N1CCN(CC1)C(=NC)NCc1nnc2n1CCC2	PC-id_109545532	381.518	HUWSLIJVOUJXPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115688
CCNC(=NCc1ccc(cc1)CN1CCCC1)NCc1nnc2n1CCC2	PC-id_111020513	381.518	LOQOFNBQUVDLMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115689
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1cccc(c1C)C	PC-id_111238237	381.518	IGBLCILJCPCCHS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115690
CCNC(=NCc1nnc2n1CCC2)NC1CCN(CC1)Cc1ccccc1	PC-id_110987346	381.518	WODSCWWEXYNCPM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115691
CCNC(=NCc1nnc2n1CCC2)NC1CN(C(C1)C)Cc1ccccc1	PC-id_109726727	381.518	HBRFRQVMTWSQIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115692
CCNC(=NCc1nnc2n1CCC2)NC(c1cccc(c1)N1CCCC1)C	PC-id_109648043	381.518	NYPUIWIBBWAELG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115693
CCNC(=NCc1nnc2n1CCC2)NCC1CCCN1Cc1ccccc1	PC-id_111582894	381.518	REFGZCWYVFJQDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115694
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)N1CCCC1	PC-id_111020403	381.518	SSHRATHEHOOGHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115695
CN=C(NC1CCN(C(C1)C)Cc1ccccc1)NCc1nnc2n1CCC2	PC-id_109458270	381.518	VQCOGWYUCKDHHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115696
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)CN1CCCCC1	PC-id_111020539	381.518	ONEFLYXBBYXADG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-115697
s1c2C(C(O)Cc2nc1CCCCC(=O)OC)C=CC(O)CCCCC	PC-id_74035178	381.529	NMXSTRAETKCNLC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115698
s1c2[C@H]([C@H](O)Cc2nc1CCCCC(=O)OC)/C=C/C(O)CCCCC	PC-id_23254891	381.529	NMXSTRAETKCNLC-FLQUSOCZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115699
C1Cc2c(C1)scc2NC(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_91010389	381.533	BAPYRHPJEUHGIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115700
c1ccc(cc1)C(c1ccccc1)(c1ccccc1)NC1CCc2c1ccs2	PC-id_69850238,SCHEMBL6644753	381.533	IEFJIZRMIWYIPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115701
s1c2CCCc2cc1C(=O)OCC(=O)NCCSCc1sccc1	PC-id_8948168	381.533	XMFRZXGLXALCNE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-115702
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CC[NH+](CC1)CC)C(=O)OCC	PC-id_2325399	381.533	WKEBCLCHOCABCN-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-115703
s1c2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C(c2cc1)C	PC-id_85814533	381.533	IOVIXXFHRQQWFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115704
CC(C)c1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324905986	381.534	WDJYUJGIQJFZKI-RGEXLXHISA-N	00000000100010110001000010000000000000000000000000000000	25-01-115705
CC(C)c1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	MCULE-6269724501,ZINC22_24837509,PC-id_32153772,EMOLS-id_18852701,CoCoCo_4466977,CoCoCo_4466978	381.534	FZLQYKKYEZEIPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115706
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C(C)(C)C)cc1	CoCoCo_3579978,EMOLS-id_3585247,PC-id_2112983,CoCoCo_3579979,ZINC22_2649835,MCULE-6940368181	381.534	OQRGSXAPXAYNCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115707
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)CCC1CCCCC1	MCULE-9247816963	381.534	WDJYUJGIQJFZKI-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-115708
s1c2CCCc2c(c1NC(=O)CNC(C(C)C)c1ccc(cc1)CC)C#N	PC-id_84894832	381.534	OLKYXTTZXVNEKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115709
s1c2CCCc2c(c1NC(=O)CN[C@H](C(C)C)c1ccc(cc1)CC)C#N	PC-id_8992143	381.534	OLKYXTTZXVNEKM-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115710
s1c2CCCc2c(c1NC(=O)CN[C@@H](C(C)C)c1ccc(cc1)CC)C#N	PC-id_8992146	381.534	OLKYXTTZXVNEKM-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115711
CC1CCC(N1CCN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100201275	381.536	JNIHJKMTGZEVQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115712
CC(N1CCC(CC1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100233799	381.536	XXBFPJFPSNMSCU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115713
CC(N1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100221511	381.536	PEFTWCMNNQMRIE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115714
CN1CCN(CC1)CC1(C)CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100208485	381.536	MXDRZFHNLNZTPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115715
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCCN(CC)CC	PC-id_7685493	381.536	NRVGJVIYZDMMBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115716
O[C@H]1[C@@H](n2nnc(c2[C@H]1O)CO)CCCCCCCCCCCCCCC	PC-id_56653173	381.553	KVODMNHQGYOJBI-SESVDKBCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115718
S(C1CCCCC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_24153076	381.553	UOMRPEIYNMRSLO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115719
s1c2c(CCC2)c(c1NC(=S)NC1CCN(CC1)CCC)C(=O)OC	PC-id_20180214	381.556	QMYUAQGLBPOYNR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115720
s1c2c(CCC2)c(c1NC(=S)NC1CCN(CC1)C(C)C)C(=O)OC	PC-id_20180294	381.556	HVRPNJDEHKCBQT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-115721
BrC1=CC(=CNc2sc3CCCc3c2C#N)C(=O)C(=C1)Cl	PC-id_24125387	381.675	JXWLGVBWAPEHSX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-115722
BrC1=C/C(=C/Nc2sc3CCCc3c2C#N)/C(=O)C(=C1)Cl	PC-id_5841735	381.675	JXWLGVBWAPEHSX-FPLPWBNLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-115723
Brc1c(Cl)cc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_81003353	381.675	ZGUBVCMDDPPKHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115724
c1(C#N)c2CCCc2sc1N=Cc1cc(Br)cc(Cl)c1O	MCULE-2324905896	381.675	RADDUFREIAAWGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115725
N#Cc1c(/N=Cc2cc(Br)cc(c2O)Cl)sc2c1CCC2	CoCoCo_6709094	381.675	RADDUFREIAAWGW-GXHLCREISA-N	00000010100000110000000010000000000000000000000000000000	25-01-115726
N#Cc1c(/N=C/c2cc(Br)cc(Cl)c2O)sc2c1CCC2	CoCoCo_6709093,PC-id_135647056,TIMTEC418194,EMOLS-id_46408519,ZINC22_4150736	381.675	RADDUFREIAAWGW-FBCYGCLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115727
N#Cc1c(NC(=O)c2cc(Br)ccc2Cl)sc2c1CCC2	ZINC22_3299642,CoCoCo_3268211,MCULE-7160646449,EMOLS-id_43827588,PC-id_2415224	381.675	AHWUUDGZQGAABN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115728
N#Cc1c(NC(=O)c2ccc(cc2Br)Cl)sc2c1CCC2	PC-id_103763295	381.675	VWRYESHJQLWZPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115729
N#Cc1c(NC(=O)c2ccc(c(c2)Br)Cl)sc2c1CCC2	PC-id_103841538	381.675	RLXUSIZIDZEHNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115730
N#Cc1c(NC(=O)c2cccc(c2Cl)Br)sc2c1CCC2	PC-id_103975306	381.675	QCDJYLSBUNCRRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115731
N#Cc1c(NC(=O)c2cc(Cl)cc(c2)Br)sc2c1CCC2	PC-id_103826482	381.675	FWQAYVZJZWMJMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115732
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2917282,PC-id_68440263	381.816	QAZNGMJEDLIRHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115733
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2923908,PC-id_68442603	381.816	IOVBIYISXCJWCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115734
Clc1c(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)Nc2ccccc2)cccc1	SCHEMBL2918498,PC-id_68440626	381.816	DHVLHCZGBFKFKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115735
Clc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(S(=O)(=O)C)cc1	PC-id_13068192,SCHEMBL11277109	381.831	QMALBFWPEJMWPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115736
O=C(N1Cc2c(C1(C)C)[nH]cc2Nc1nc(Cl)ncc1F)OC(C)(C)C	SCHEMBL19195029	381.832	LQFRLJJXTQRELH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-115737
O=C(c1cnc(c(c1)Cl)OC1CCOCC1)Nc1onc2c1CSC2	PC-id_92085209	381.834	WSRDXKRJBWRWOU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115738
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)C=Cc1ccccc1	MCULE-8442950619	381.835	PNLLQBLJOXSWQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115739
Oc1ccc(Cl)cc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_324917260	381.835	PNLLQBLJOXSWQI-SAEKGINCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115740
O=C1NCCN1c1ccc(c(c1)NS(=O)(=O)c1cnc2n1CCC2)Cl	EMOLS-id_100967863	381.837	KCHHSAAWNJXWIO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115741
Clc1c(CN(C(=O)COC(=O)c2sc3CCCc3c2)C)c(F)ccc1	PC-id_45637967	381.849	JEKAJVGNDGNUSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115742
N#Cc1c(NC(=O)c2cc(S(=O)(=O)N)ccc2Cl)sc2c1CCC2	CHEMBL271836,BindingDB-id_154660,BindingDB_PC-id_44456932,PC-id_44456932	381.857	BVJUNGBPMWQQFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115743
Clc1ccc(CNC(=O)Nc2n[nH]c3CN(Cc23)Cc2ccccc2)cc1	SCHEMBL2915231,PC-id_68439524	381.859	GIOAADUGQHPOIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115744
O=C(NCc1ccccn1)c1ccc(NCc2cnn3c2CCC3)cc1Cl	EMOLS-id_316923854,MCULE-9965033862,ZINC22_656775489	381.859	SCKVNUDTDVNAAA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-115745
c1(NC(=O)Cc2ccc(cc2)Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CHEMBL1606379,EMOLS-id_5686966,ZINC22_5077915,ChEMBL-DNDi_CHEMBL1606379,PC-id_7484600,MCULE-9509832906,CoCoCo_5065652	381.877	AADBJECSUIDPGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115746
Clc1cccc(c1)C1OCC(N(C1)S(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_101033809	381.877	MVBGHLBTUFQKIM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115747
Clc1ccc(OCC(=O)Nc2n(nc3c2C[S@](=O)C3)C(C)(C)C)cc1	CoCoCo_4985185,PC-id_11863841	381.877	NLOSZGIREUKBHE-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115748
Clc1ccc(OCC(=O)Nc2n(nc3c2C[S@@](=O)C3)C(C)(C)C)cc1	CoCoCo_4985186,PC-id_11877698	381.877	NLOSZGIREUKBHE-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-115749
Clc1ccc(OCC(=O)Nc2n(nc3c2CS(=O)C3)C(C)(C)C)cc1	PC-id_2160309	381.877	NLOSZGIREUKBHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115750
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536347	381.877	PFHYHIQCVVBMTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115751
Cc1ccc(CCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324906509	381.879	CLWDBJMUEUCVKE-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-115752
Cc1ccc(CCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_324905483	381.879	SGFQPGCECVRSHQ-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-115753
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCc1ccc(cc1)C	MCULE-7508520712	381.879	CLWDBJMUEUCVKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115754
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)CCc1ccc(cc1)C	MCULE-8148174215	381.879	SGFQPGCECVRSHQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115755
c1(NC(=O)CSc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_2241975,EMOLS-id_2495757,ZINC22_2889870,MCULE-8482020376,CoCoCo_539581,ChEMBL-DNDi_CHEMBL7942950	381.897	HMZLUGOSLHFIBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115756
[Se]1c2[se]c(=O)[se]c2[Se]C1	PC-id_11361040	381.898	NWUXRAIXJZXJRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115757
CN1CCN(CC1)C1(CCCCC1)CNC(=O)c1nn2CCOc2c1Cl	PC-id_91959996	381.9	DCLSEFLCZLKOBO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115758
Clc1c(CP(=C)(C)C)cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C	PC-id_59933087	381.903	KXJROSBDVDTASJ-JZJYNLBNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115759
Brc1sc(Br)c2C(=O)C(O)(CC(=O)C)C(=O)c12	NSC710883,PC-id_399788,CoCoCo_5777810	382.025	ZWWROTGNUHHHHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115760
Cn1c2c(CCC2)c(n1)S(=O)(=O)NC(=O)Nc1nc(cc(n1)OC)OC	PC-id_164186849	382.106	GVQMKWSRWXZOQP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-115761
CC1=C(C=CC(=C1)F)C2=NC(=C(C=C2)N)CC(=O)N3CC4=C(C3)SC(=N4)C	PC-id_160600422	382.126	WKWKLFBXKWVLDX-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115762
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC(C3)(F)F)C(=O)NC)C(=O)N	PC-id_149529794	382.145	ZMKCQEKMWUOSAL-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-115763
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164610132	382.161	QJIOPQZNALFNCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115764
CC1(C2=C(CN1CC3=C(C=CC=C3F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164613200	382.161	IBMBNWGBJKHVFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115765
CC1(C2=C(CN1CC3=C(C=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164620598	382.161	AIKCQFMJSYFBIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115766
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164621635	382.161	ZDIRXTHCIMRDHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115767
CC1(C2=C(CN1CC3=C(C=C(C=C3)F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164622892	382.161	GGMHTRXPFIZCLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115768
CC1(C2=C(CN1CC3=CC(=C(C=C3)F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164626376	382.161	ZIGMRNQFOINBLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115769
CC(C)CN1C(=CC=N1)NC2=C(C(=CC(=C2)O)O)C(=O)N3CC4=C(C3)NN=C4	PC-id_155268928,CHEMBL4466949	382.175	JJVTZSODYNLDEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115770
CC(C)(C)N1C(=CC=N1)NC2=C(C(=CC(=C2)O)O)C(=O)N3CC4=C(C3)NN=C4	PC-id_164607520	382.175	DUNBMXBSPAHGHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115771
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)O)c2=O	MCULE-5821093697	382.189	RORUQAFUNZNIQY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115772
OC(=O)COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O	ZINC22_256028071,EMOLS-id_190367224,PC-id_117588188	382.189	RORUQAFUNZNIQY-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115773
N#Cc1c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)sc2c1CCC2	SPECS-id_AN-153/I144454,MCULE-3347424122,PC-id_3616093,Chemmine_58249,ZINC22_5631113	382.193	XZBVNIKCIJQXDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115774
Clc1c2n(CCC2(C(=O)O)C(=O)O)c(c1C)C(=O)c1ccc(Cl)cc1	SCHEMBL11254565,PC-id_20526394	382.195	UQVGPHJFADNDFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115775
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2)I)n1	EMOLS-id_330987763,MCULE-1188177990	382.196	HCEHIPNAYOPWIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115776
c1(C(=O)O)c2C(C)CCc2n(Cc2ccccc2I)n1	MCULE-5900979148,EMOLS-id_330988275	382.196	YINIIDJUSHOFGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115777
c1(C(=O)O)c2C(C)CCc2n(Cc2cccc(I)c2)n1	EMOLS-id_330988019,MCULE-3498537396	382.196	MKHXGNIDHAVPMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115778
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccccc1I	MCULE-5642646397,EMOLS-id_330967231	382.196	RAKRFEPRMIKEFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115779
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1)I	MCULE-8008371209,EMOLS-id_330966719	382.196	UVOTUCLTKJVRMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115780
c1(C(=O)O)c2C(C)CCc2nn1Cc1cccc(I)c1	EMOLS-id_330966975,MCULE-2857900107	382.196	VYPSOCAWGOGXCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115781
CC(=O)C1=NN(C2=C1CCC2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC	PC-id_153600096	382.2	AOYBOKZQOLWVGL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115782
Ic1ccc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_60707546	382.2	IWGYJGQDCRUDCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115783
Ic1ccc(C(=O)NC(c2n3CCCc3nn2)C)cc1	PC-id_60715564	382.2	LXJIFORKAGKLRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115784
Ic1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_60707598	382.2	YLYXHTDKGODDGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115785
Ic1cc(C(=O)NC(c2n3CCCc3nn2)C)ccc1	PC-id_60763839	382.2	RXIRJGSMVMONSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115786
Ic1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1	PC-id_60707587	382.2	PIZJJCJUBVJUGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115787
Ic1c(C(=O)NC(c2n3CCCc3nn2)C)cccc1	PC-id_60763871	382.2	XMCXLSLXFMPEJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115788
O=C(N[C@@H]1CC[C@@H](c2nc(=O)o[nH]2)C1)c1nc2n(c1Br)CCC2	ZINC22_2325821930	382.213	NHSUTEBXPKLUGA-HTQZYQBOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115789
O=C(N[C@@H]1CC[C@H](c2nc(=O)o[nH]2)C1)c1nc2n(c1Br)CCC2	ZINC22_2325821931	382.213	NHSUTEBXPKLUGA-JGVFFNPUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115790
O=C(N[C@H]1CC[C@@H](c2nc(=O)o[nH]2)C1)c1nc2n(c1Br)CCC2	ZINC22_2325821932	382.213	NHSUTEBXPKLUGA-SFYZADRCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115791
O=C(N[C@H]1CC[C@H](c2nc(=O)o[nH]2)C1)c1nc2n(c1Br)CCC2	ZINC22_2325821933	382.213	NHSUTEBXPKLUGA-YUMQZZPRSA-N	00000010100000000001100010000000000000000000000000000000	25-01-115792
CC1C=C(C=CC1F)C2=NN(C(=C2)C)CC(C3CC3)N4CC5=C(C4)OC(=N5)C	PC-id_152800473	382.217	SNGYKXVYVJPHGY-UHFFFAOYSA-N	00100010100011000001100010000000000000000000000000000000	25-01-115793
OCCN(C(=O)c1cnn2c1CCC2)Cc1cc(Br)ccc1F	EMOLS-id_318328887	382.227	DOIQLFJOLMKCIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115794
OCCN(C(=O)c1nn2c(c1)CCC2)Cc1cc(Br)ccc1F	EMOLS-id_318076923	382.227	MEJYXIAUKPIDCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115795
OC(=O)c1sc2CN(Cc2c1Br)C(=O)OCc1ccccc1	EMOLS-id_329968360	382.229	UNWCHXWCZLCYAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115796
O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cc2c(s1)CCC2	ZINC22_2325862967	382.229	OZNMLUCAPDCEAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115797
CN(C(c1ccc(cc1F)Br)C(=O)N)Cc1nnc2n1CCC2	EMOLS-id_318044043	382.231	WJLARANJLKHKIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115798
CCc1nc2s/c(=Cc3cc(Br)c(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324843240	382.232	YQDZZSNDBFSIFY-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-115799
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)CC	MCULE-3124767641	382.232	YQDZZSNDBFSIFY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115800
O=C(c1nc2n(c1)CCC2)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_319965159,MCULE-9156639319	382.232	HHAXDCDNOXPUSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115801
OC(=O)c1sc2c(c1Br)CN(C2)C(=O)c1cnc2n1CCC2	MCULE-5354178183,EMOLS-id_258101574	382.232	JFXQRYQTBKEWLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115802
OC(=O)c1sc2c(c1Br)CN(C2)C(=O)c1cnn2c1CCC2	EMOLS-id_319321352	382.232	UZBDFXNGTMALMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115803
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)OCC	EMOLS-id_330979064,MCULE-8586432818	382.239	ZEAGLUUERIWKDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115804
CCOc1ccccc1Cn1nc2CCC(C)c2c1I	EMOLS-id_330964661,MCULE-9768769413	382.239	NCGWZDHGYKOWKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115805
CCOc1ccccc1Cn1nc(I)c2C(C)CCc12	EMOLS-id_330980601,MCULE-9808786031	382.239	GGGXEELRTSZOIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115806
CCOc1ccc(Cn2nc3CCC(C)c3c2I)cc1	EMOLS-id_330963124,MCULE-5872290535	382.239	OOCPWPIYJBLNGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115807
COc1ccc(cc1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330962108,MCULE-5242664040	382.239	HLCYACMPKKFGHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115808
COc1ccccc1C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330965936,MCULE-6598517517	382.239	MFWBDDCOZSWWRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115809
COc1cccc(c1)C(C)n1nc2CCC(C)c2c1I	MCULE-7905008383,EMOLS-id_330964926	382.239	MDRNFNSTLLMQSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115810
COc1ccc(C)cc1Cn1nc2CCC(C)c2c1I	MCULE-5546159323,EMOLS-id_330964917	382.239	AWAYYYPGGOUYQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115811
COc1ccc(C)cc1Cn1nc(I)c2C(C)CCc12	MCULE-5962924030,EMOLS-id_330980857	382.239	YKRSOTXPNAQYSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115812
COc1ccc(C)c(Cn2nc3CCC(C)c3c2I)c1	MCULE-8844218146,EMOLS-id_330962362	382.239	PNZHESILIZZOCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115813
COc1ccc(C)c(Cn2nc(I)c3C(C)CCc23)c1	EMOLS-id_330978302,MCULE-9240584653	382.239	HNIDBYKHUCANTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115814
COc1cccc(Cn2nc3CCC(C)c3c2I)c1C	EMOLS-id_330962106,MCULE-9341653234	382.239	BQQFISBICGKGNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115815
COc1cccc(Cn2nc(I)c3C(C)CCc23)c1C	MCULE-1741093257,EMOLS-id_330978046	382.239	HMKCFZJYHBFYNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115816
COc1ccc(Cn2nc3CCC(C)c3c2I)cc1C	EMOLS-id_330964145,MCULE-2416071631	382.239	UGJKZRIQXFTYHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115817
COc1ccc(Cn2nc(I)c3C(C)CCc23)cc1C	EMOLS-id_330980085,MCULE-5908347561	382.239	XOESSCBPSRRRER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115818
COc1cc(Cn2nc3CCC(C)c3c2I)ccc1C	MCULE-1574936437,EMOLS-id_330961588	382.239	RVGXCGVWYUUZNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115819
COc1cc(Cn2nc(I)c3C(C)CCc23)ccc1C	MCULE-8101249326,EMOLS-id_330977528	382.239	JCKQQNHITINHSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115820
COCc1ccccc1Cn1nc2CCC(C)c2c1I	EMOLS-id_330962618,MCULE-5495899036	382.239	YMNVEEFLITYRAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115821
COCc1ccccc1Cn1nc(I)c2C(C)CCc12	EMOLS-id_330978558,MCULE-5200814170	382.239	KQZHWZGZCGIVTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115822
Ic1ccc(C(NC(c2n3CCCc3nn2)C)C)cc1	PC-id_43791496	382.243	FLYUWMUHIRCFHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115823
Clc1ccc(c(c1)Cl)C(=O)NCc1nnc2n1C(CC2)C(=O)N(C)C	PC-id_118740518	382.244	UVEJEYNXXYDLRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115824
CCC1=NC(=CC(=N1)N2CCCCCC2CNC(=O)C3=NNC4=C3CCC4)C	PC-id_154796415	382.248	YWPZOOQATIKVAW-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-115825
CC(C)(C)c1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324853481	382.251	JXELXADWAVDURE-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115826
CC(C)Cc1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324859622	382.251	ZCCFCZUDVOSHCL-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-115827
CC(C)(C)c1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324852453	382.251	HKJYWLLXBYKBEB-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115828
CC(C)Cc1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324858594	382.251	GYKQOAHKWVMFRM-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115829
CCS(=O)(=O)CC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	MCULE-6288144024,EMOLS-id_258101790	382.251	NYMXTFHELOJDSL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115830
n12c(=O)c(=Cc3ccc(Br)cc3F)sc1nc(C(C)(C)C)n2	MCULE-9928424085	382.251	JXELXADWAVDURE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115831
n12c(=O)c(=Cc3ccc(c(Br)c3)F)sc1nc(C(C)(C)C)n2	MCULE-5664676664	382.251	HKJYWLLXBYKBEB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115832
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)CC(C)C	MCULE-5038984806	382.251	ZCCFCZUDVOSHCL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115833
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)CC(C)C	MCULE-6373175035	382.251	GYKQOAHKWVMFRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115834
CCN(CC)c1nc(c(cc1)N=C1C(=Nn2c1nnc2CNCC(C)C)C)C	PC-id_163831576	382.259	OEBJASKCXYQHBE-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-115835
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)O	MCULE-7609448125	382.261	CNKKPQLLGRATTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115836
OC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2CCCc12	PC-id_28860320,EMOLS-id_179129559	382.261	CNKKPQLLGRATTL-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115837
Brc1cc(sc1)C(=O)c1n2c(C(CC2)C(=O)OC(C)C)cc1	PC-id_20356139,SCHEMBL11659811	382.272	PYFBWLPDZBSBOV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-115838
Brc1c(scc1)C(=O)c1n2c(C(CC2)C(=O)OC(C)C)cc1	SCHEMBL11662070,PC-id_20356060	382.272	MRPHXBAMBOXYEW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-115839
Brc1sc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2)cc1	PC-id_20356131,SCHEMBL11663458	382.272	JKBQATYNINWNKQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-115840
c1(nnc2SCCn12)NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	CoCoCo_2590508,PC-id_16031375,EMOLS-id_16349433,MCULE-7487723161,ZINC22_8600556	382.284	GDHAIGQAJAOVIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115841
Clc1cc(Cn2c3C(CCc3nc2C(C)C)CC(=O)ON)ccc1Cl	PC-id_67434389,SCHEMBL2510752	382.284	ZMCAOMNJZAOKKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115842
Brc1ccc(c(c1)F)CN1Cc2c(C1=O)sc(c2)C(C)(C)C	SCHEMBL15662743,PC-id_90113309	382.29	PUPCODWSDZKHOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115843
O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)C1Cc2cscc2C1	ZINC22_2325783754	382.306	ZBUAYLPSSKQZID-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-115844
Clc1c(N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)ncc(Cl)c1	PC-id_78891217	382.307	JLKDDJXJJJNTCI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-115845
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2NCCn2nc1C(F)(F)F	SCHEMBL18740248,PC-id_137221525	382.337	QXYROGSUHSPWHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115846
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2NCCn2nc1C(F)(F)F	PC-id_137221526,SCHEMBL18740249	382.337	QXYROGSUHSPWHQ-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-115847
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(C)CCn2nc1C(F)(F)F	SCHEMBL18758544	382.337	SEDYCIIUDUGPAZ-VIFPVBQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-115848
O=C1NC(n2nc(c(c2NN=C2c3n(N=C2C)c(nn3)C)C#N)C)NC(=O)N1	PC-id_77888455	382.34	ZYEHITNQZKZULO-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-115849
O=C1NC(n2nc(c(c2NN=C2c3n(N=C2C)nc(n3)C)C#N)C)NC(=O)N1	PC-id_77925082	382.34	FNOUUHZVLVCHFZ-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-115850
O=C1NC(n2nc(c([N+]#[C-])c2NN=C2c3n(N=C2C)c(nn3)C)C)NC(=O)N1	PC-id_76663856	382.34	VBJAJFIAVRGRJD-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-115851
Fc1ccc(cc1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cn(n2)C)[N+](=O)[O-]	PC-id_145230412	382.349	KWKYDRIEODJSIM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115852
Fc1ccc(cc1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cnn2C)[N+](=O)[O-]	SCHEMBL18376183	382.349	PUSVDBCXGSTXCR-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115853
S1CCn2c1nc(NC(=O)C(Oc1c(cccc1)C(F)(F)F)C)c2C#N	PC-id_60323778	382.36	NLFGAJIINGWEIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115854
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)Cc1ccc(F)cc1	MCULE-1245958612	382.368	BQOASERQJCJDFS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115855
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)Cc1ccc(F)cc1	MCULE-2029963695	382.368	WYLZDGPTMIYSMZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115856
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)Cc1ccc(F)cc1	MCULE-6488420786	382.368	LPTSLBCFYRJPPI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115857
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(Cc3ccc(F)cc3)nn2c1=O	EMOLS-id_324840692	382.368	BQOASERQJCJDFS-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115858
[O-][N+](=O)c1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324835580	382.368	WYLZDGPTMIYSMZ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115859
[O-][N+](=O)c1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324840689	382.368	LPTSLBCFYRJPPI-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-115860
COc1ccc(cn1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_50913331,SCHEMBL1227069	382.37	TYAJTYRDTVICDL-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-115861
O=c1n2n(CCC2)c(N)c1NC1=CC(=NC(=O)Cn2ccnc2)C(=O)C=C1N	PC-id_71036410	382.377	ZKOQFOWEFIWHIY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-115862
O=C(NC1=C/C(=Nc2c(=O)n3n(c2N)CCC3)/C(=CC1=O)N)Cn1ccnc1	SCHEMBL13964116	382.377	TUZJVXJHSOOEFT-SSDVNMTOSA-N	00000010100011000001000010000000000000000000000000000000	25-01-115863
c12CN(Cc1nn(CC(F)(F)F)c2CN(C)C)C(=O)OCc1ccccc1	EMOLS-id_324352104,MCULE-9042571024	382.38	OEOWGMSLOGZFEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115864
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc(c1)C(F)(F)F	PC-id_54208265,BindingDB_PC-id_54208265	382.38	PUBYYTQEIXPINL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115865
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC(F)F)cc1	PC-id_27684152	382.382	JMVYQONZJBEDLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115866
CCNC(=NCc1ccccc1OC(F)(F)F)NCc1nnc2n1CCC2	PC-id_111020553	382.383	HAMQADLOEOOVKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115867
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)OCC(F)(F)F	PC-id_111020137	382.383	ICWFKYYMGPBNQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115868
O=C(N1CCC(CC1)n1ccc(n1)C(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101420346	382.383	PBVVBPVZGDPXSD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115869
O=C(N1CCCC(C1)n1ccc(n1)C(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101420370	382.383	YMARESVBVRNRTM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-115870
c1(c2CCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1C)C	SPECS-id_AG-667/13796032,CoCoCo_1731220,CK1948900,ChEMBL-DNDi_CHEMBL6074928,MCULE-3478680994,ZINC22_722363,TIMTEC36383,SCHEMBL12443269,PC-id_1047318,EMOLS-id_2387196	382.4	OWEOKOYDTUZPMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115871
c1(NC(=O)C(F)(F)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4010675168,EMOLS-id_334330530	382.4	DGVVMEZGGFHXFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115872
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1c(cccc1)C(F)(F)F)C	PC-id_9426748	382.4	ZPTZIGJXQSTHKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115873
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2sc(c(CC)c2C#N)C)n1	CoCoCo_225017,TIMTEC530200,EMOLS-id_1359773,ZINC22_869847,BAS-01939697,PC-id_1129772,MCULE-5579952580	382.403	WPCHHEOOODQWDB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-115874
c12CN(Cc1cnn2Cc1ccc(cc1)F)CCC(=O)Nc1cccc(F)c1	MCULE-8015104572,ZINC22_244691570,PC-id_91839007,EMOLS-id_55676045	382.407	JFCOZDDBBJIBIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115875
COCCNC(=O)c1cc2C[C@@H](Cn2n1)NS(=O)(=O)c1ccc(F)cc1	MCULE-2808753652,EMOLS-id_316331321	382.41	AUEBASUTTOCWCR-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115876
S(=O)(=O)(c1ccc(cc1)F)NC1Cc2n(nc(C(=O)NCCOC)c2)C1	MCULE-4571441133	382.41	AUEBASUTTOCWCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115877
c12nc(sc1CN(Cc1ccccc1)C2=O)NC(=O)Nc1ccccc1F	MCULE-1055208977,EMOLS-id_33030398,PC-id_53188467	382.411	BJOOAXUYVCHWPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115878
c1(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c(CCC2)c1C#N	TIMTEC517634,ZINC22_2797871,PC-id_4862676,EMOLS-id_4059870,MCULE-6438899229	382.411	WBCDVCYYUWFBAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115879
c1(sc2c(CCC2)c1C(=O)OC)NS(=O)(=O)c1cccc(c1)N(=O)=O	PC-id_19203750,ZINC22_40945769,MCULE-3582852283	382.411	DEWJCFFUZBMFKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115880
COC(=O)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	ZINC22_59413162	382.411	ZYFCHVWXKBNVGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115881
S(=O)(=O)(c1ccccc1N(=O)=O)Nc1sc2c(CCC2)c1C(=O)OC	MCULE-6250317208,PC-id_19203660	382.411	WFYVVGWDNZQLOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115882
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c([N+](=O)[O-])n2c1CCC2	PC-id_339865,NSC368136,CoCoCo_5626583,LI_73834,ZINC22_5553330	382.412	PJXXOQYAMQUJNZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115883
c1(coc(COc2ccc(cc2OC)C)n1)C(=O)NCc1c2CCCc2[nH]n1	EMOLS-id_20588667,MCULE-4640800528,ZINC22_12317251,CoCoCo_1401363,CoCoCo_1401362,PC-id_42529733	382.413	FCYMTDXJVXLJAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115884
c1(C(=O)NCc2c3CCCc3[nH]n2)cc(on1)COc1ccc(cc1OC)C	MCULE-2747845052,ZINC22_67879807,EMOLS-id_36457375,PC-id_56718480	382.413	VYRAKLPFYLRBQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115885
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)NC(=O)OC(C)(C)C	PC-id_86760538	382.415	ORMZEQCKRGWJDB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115886
O1C(CN2CCN(N(C(C)(C)C)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5535570,PC-id_69479360	382.415	OGPOVPSQCQTAKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115887
O1[C@@](CN2CCN(N(C(C)(C)C)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL6010588,PC-id_69635109	382.415	OGPOVPSQCQTAKO-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-115888
c1(C(=O)Nc2n[nH]c(CCc3ccc(c(OC)c3)OC)n2)c2CCCc2n[nH]1	STOCK7S-36381,MCULE-9954428770,PC-id_71706546,EMOLS-id_44753104,ZINC22_95477492,EMOLS-id_49407001	382.416	WCLPIEFLTHFZQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115889
CCc1nnc(c2ccc(OC)c(NC(=O)NCc3n[nH]c4c3CCC4)c2)o1	EMOLS-id_49146515,MCULE-9740915660,PC-id_72850950,ZINC22_96133562	382.416	JWPWYEGHPOMWQG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115890
CCC1(O)C(=NN(C1=O)c1cccc(c1)C(=O)NCc1nnc2CCCn12)C	PC-id_91790299,EMOLS-id_55689697,MCULE-5352602717	382.416	ASKSHCJHPDBMOH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-115891
CC[C@@]1(O)C(=O)N(c2cccc(C(=O)NCc3nnc4n3CCC4)c2)N=C1C	PC-id_100202380,ZINC22_223159071	382.416	ASKSHCJHPDBMOH-IBGZPJMESA-N	00000011100000110001100010000000000000000000000000000000	25-01-115892
CC[C@]1(O)C(=O)N(c2cccc(C(=O)NCc3nnc4n3CCC4)c2)N=C1C	PC-id_100202390,ZINC22_223159128	382.416	ASKSHCJHPDBMOH-LJQANCHMSA-N	00000011100000110001100010000000000000000000000000000000	25-01-115893
CC(C)c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(C)n1	PC-id_155268878,CHEMBL4438903	382.416	REOAFVAGNYZKNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115894
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)C=Cc1cccs1	MCULE-4173841357	382.416	CIEUXUCAEIIHCT-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115895
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)C=Cc1cccs1	MCULE-6288543949	382.416	LXZGALCTQMAPTE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115896
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)C=Cc1cccs1	MCULE-9915555005	382.416	PEYIFDCOXVOLCO-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115897
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)C=Cc1ccccc1	MCULE-2943676668	382.416	SBHKCBNUEZDQDA-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115898
O=c1/c(=C/c2ccccc2[N+](=O)[O-])/sc2nc(/C=C/c3cccs3)nn12	ZINC22_27021966,EMOLS-id_31274648	382.416	PEYIFDCOXVOLCO-FAGQLRNJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115899
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)/sc2nc(/C=C/c3cccs3)nn12	ZINC22_27021960,EMOLS-id_31274646	382.416	LXZGALCTQMAPTE-FKEISFMISA-N	00000000100100110001000010000000000000000000000000000000	25-01-115900
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)/sc2nc(/C=C/c3cccs3)nn12	ZINC22_27022003,EMOLS-id_31274662	382.416	CIEUXUCAEIIHCT-FAGQLRNJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115901
O=C1N(CCC1)c1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)CC(=O)N)cc1	PC-id_68441229,SCHEMBL2920265	382.416	UVFPNRPIFGADEG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115902
[O-][N+](=O)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)s1	EMOLS-id_324915723	382.416	SBHKCBNUEZDQDA-DEOSACLMSA-N	00000000100100110001000010000000000000000000000000000000	25-01-115903
CC(C)c1nc(CNC(=O)c2ccc(NCc3nnc4CCCn34)nc2)no1	EMOLS-id_36565619,PC-id_56739213,ZINC22_67457858,MCULE-6658188434	382.42	QABJRBPCOTWNOO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-115904
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1[nH+]cc(cc1)C(F)(F)F	PC-id_2456925	382.423	PDOXWYRZBMQNOY-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-115905
s1c2CCCc2c(c1NC(=O)CSc1cc(ccc1)C(F)(F)F)C#N	PC-id_7965064	382.423	HHIZMKRZDBQPFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115906
Fc1ccc(cc1F)C1CCNCC1NS(=O)(=O)c1cnc2n1CCC2	PC-id_121707680	382.428	IAMVSAXYLQJYMU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-115907
c1(CN(Cc2ccco2)C(=O)NCc2ccc(F)cc2)c2CCCc2n(C)n1	EMOLS-id_50145266,PC-id_86266546,MCULE-9965136536	382.431	KSOFGBZZDUYIRK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115908
CCc1cc(nn1CC(=O)N1Cc2c(C1)oc(n2)CC)c1cc(c(cc1)F)C	SCHEMBL15002357,PC-id_89608261	382.431	ZVMWHUVVSNJFEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115909
CCCc1cc(nn1CC(=O)N1Cc2c(C1)nc(o2)C)c1ccc(c(c1)C)F	SCHEMBL15002296,PC-id_89608202	382.431	YEAFNFPOGTXQBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115910
CCOC(=O)C(=NNc1sc2c(c1C(=O)OCC)CCC2)C(=O)OCC	PC-id_145978738	382.431	UUOQMYJWLAVIRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115911
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNC(=O)C)C(=O)OCC	PC-id_7197271	382.431	WHWSUBVVVUMFTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115912
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)OC	EMOLS-id_1231055,CoCoCo_81794,BAS-00486929,ChEMBL-DNDi_CHEMBL3261-0220,ZINC22_1104428,PC-id_1284302,MCULE-2040720071	382.433	JJFIYAMNEHCIJX-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-115913
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1OC	PC-id_1049756,BAS-00486969,CoCoCo_81815,SPECS-id_AE-848/34090111,EMOLS-id_1231095,ZINC22_727189,ChEMBL-DNDi_CHEMBL1433354,MCULE-5130242025,CHEMBL1433354	382.433	HUQSCHCMTTYOIN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-115914
c1(ccc(cc1OC)C=CC(=O)Nc1sc2CCCc2c1C#N)OC(=O)C	MCULE-3024616738	382.433	SCEPTUVGZMWJNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115915
c1(NC(=O)c2cc(on2)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	PC-id_35181726,MCULE-3830727450,EMOLS-id_9996181,TIMTEC306144,CoCoCo_2254635,ZINC22_27794951	382.433	MFFSZRNZYKFTDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115916
c1(NC(=O)c2cc(on2)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_9874656,MCULE-9087464181,CoCoCo_6310204,TIMTEC249455,ZINC22_11917153,PC-id_16455809	382.433	JUBPGACKEJMZSN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115917
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2095507,MCULE-9168420987,TIMTEC278865,CoCoCo_6791297,PC-id_1358552,ZINC22_1200201,ChEMBL-DNDi_CHEMBL600138,CHEMBL600138	382.433	LAPWQTFRKXRNTF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115918
c1(NC(=O)C(=Cc2ccccc2OC)C#N)sc2c(CCC2)c1C(=O)OC	MCULE-3580041562,PC-id_1656745	382.433	PPOGQWWXCYGFAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115919
c1(NC(=O)C(=Cc2ccc(cc2)OC)C#N)sc2c(CCC2)c1C(=O)OC	MCULE-6193708321,PC-id_1182624	382.433	MCNMIGCZDXGYSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115920
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2582665152,PC-id_1304256	382.433	WGQMXJKXGXHULG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-115921
CC(=O)Oc1ccccc1c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	PC-id_56672165,CHEMBL1821931	382.433	IPMWNZGUIWBQJK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-115922
CC(=O)Oc1cccc(c2cc(C(=O)Nc3nc4c(s3)CCC4)c(C)o2)c1	PC-id_56672166,CHEMBL1821932	382.433	ZKEQNMUGBWGGRN-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-115923
COc1ccc(cc1)/C=C(C(=O)Nc1sc2c(c1C(=O)OC)CCC2)/C#N	STOCK2S-58481,CoCoCo_1744434,EMOLS-id_26279661	382.433	MCNMIGCZDXGYSK-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115924
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)ccc1OC(=O)C	EMOLS-id_327861895	382.433	SCEPTUVGZMWJNZ-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115925
COC(=O)c1ccccc1c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1	PC-id_56665239,CHEMBL1821933	382.433	BZCUZQGNIPIYST-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-115926
COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)/C#N)sc2CCCc12	ChemDIV3453-2095,CHEMBL1405017,CoCoCo_1744433,EMOLS-id_27010970,PC-id_5710629	382.433	MCNMIGCZDXGYSK-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115927
O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	PC-id_1304258,ZINC22_1128836,CoCoCo_5889911,TIMTEC522633,EMOLS-id_25956601	382.433	WGQMXJKXGXHULG-CMDGGOBGSA-N	00000010101000000000000010000000000000000000000000000000	25-01-115928
O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)/C=Cc1ccco1	CoCoCo_5889912	382.433	WGQMXJKXGXHULG-HJWRWDBZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-115929
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)Nc1noc(c1)C	PC-id_24526155	382.433	CHQUDRSYMMGSFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115930
s1c2CCCc2cc1C(=O)OCC(=O)Nc1onc(c2ccc(cc2)C)c1	PC-id_7520013	382.433	SKFBNWBINFGNGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115931
s1c2CCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)Nc1noc(c1)C	PC-id_27348641	382.433	CHQUDRSYMMGSFE-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115932
s1c2CCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)Nc1noc(c1)C	PC-id_27348642	382.433	CHQUDRSYMMGSFE-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115933
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1c(OC)cccc1)/C#N)C(=O)OC	PC-id_1656744	382.433	PPOGQWWXCYGFAX-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115934
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(OC)cc1)C#N	PC-id_1662495	382.433	KLLAEIBXFMMGOM-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115935
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(OC)cc1)C#N	PC-id_5156815	382.433	KLLAEIBXFMMGOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115936
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)ccc1)C#N	PC-id_78735846	382.433	YBCQQGFVCOBEGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115937
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)ccc1)C#N	PC-id_8604895	382.433	YBCQQGFVCOBEGQ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115938
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1c(OC)cccc1)C#N	PC-id_78736156	382.433	RPPSEJWEFWJCQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115939
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OC)cccc1)C#N	PC-id_8605679	382.433	RPPSEJWEFWJCQC-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115940
s1c2CCCc2c(c1NC(=O)COC(=O)CCC(=O)c1ccccc1)C#N	PC-id_8491600	382.433	YKVBDEMTPQEKTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115941
c1(n(C)nc(C)c1CC)NC(=O)N1Cc2c(n(nc2)Cc2ccc(cc2)F)C1	MCULE-4348226164,EMOLS-id_49175496,ZINC22_96166291,PC-id_72931203	382.435	SMVKQMIARKWMAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115942
CC(C)[C@@H](NC(=O)N)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_7831272,CoCoCo_2823816,ZINC22_5937746	382.435	YPDGHNRMUXOGSK-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115943
CC(C)[C@H](NC(=O)N)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_5937745,PC-id_7831271,CoCoCo_2823815	382.435	YPDGHNRMUXOGSK-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115944
NC(=O)NC(C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)C(C)C	EMOLS-id_43690904,PC-id_4844580,MCULE-1350613441	382.435	YPDGHNRMUXOGSK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115945
S1Cc2c(nn(c2NC(=O)C(=O)OCC)CC(=O)NCC2OCCC2)C1	PC-id_44053211	382.435	RPSISMRXIQKZGS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115946
c1(C(=O)/N=c/2sc(c(C(=O)OC)[nH]2)Cc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_49402570,ZINC22_95473332,EMOLS-id_44754332,PC-id_71701872,STOCK7S-37047,MCULE-3592481958	382.436	YTJDVSGGURIQTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115947
c1(C(=O)OCC)sc(nc1c1ccccc1)NC(=O)c1c2CCCc2[nH]n1	EMOLS-id_323259829,MCULE-9530852496	382.436	RWRGSGQGAIYQBB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115948
c1(NC(=O)c2ccco2)c2CSCc2nn1CC(=O)NCc1ccccc1	ZINC22_23139451,PC-id_30862698,EMOLS-id_24913507,MCULE-1558122539,CoCoCo_5277746	382.436	SAACMTRTVRWPND-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115949
c1(NC(=O)c2cnc(cn2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8998460246,EMOLS-id_334338479	382.436	CKCMDZBLQNVCJM-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-115950
c1(NC(=O)c2[nH]cc(c(=O)c2)OCc2ccccc2)n(C)nc2CSCc12	ZINC22_524735292,EMOLS-id_323884263,STOCK7S-63526,MCULE-7406577425,EMOLS-id_104693397	382.436	OSIHPTRTBRPQER-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-115951
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3)OC)n2)/sc2c(CCC2)[nH]1	STOCK7S-13948,MCULE-7473045332,EMOLS-id_35786545,PC-id_52899992,EMOLS-id_46560699,ZINC22_61719598	382.436	MSNZARMRKAZRSC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115952
c
(=N/C(=O)Cn2c(=O)ccc(c3cccc(OC)c3)n2)/sc2c(CCC2)[nH]1	EMOLS-id_35783820,PC-id_52898288,STOCK7S-12302,EMOLS-id_46561632,ZINC22_61718175,MCULE-9178824388	382.436	QYZQMUBFHKHNKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115953
c1(NC(=O)COc2cccnc2NC(=O)C2CC2)sc2c(CCC2)c1C#N	EMOLS-id_321804154,MCULE-4536008837	382.436	UZLUQFLMTBCJTI-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-115954
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccccc1	PC-id_141251713	382.436	KGZPVPVLFVIOSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115955
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)c1ccccc1	SCHEMBL2918619,PC-id_68440681	382.436	LYVLLMULZRHMJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115956
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)c1ccccc1)CNC2	SCHEMBL2918615,PC-id_68440680	382.436	YHZRGVNFPCRRNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115957
CCc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)Nc1onc2c1CSC2	PC-id_121051006	382.436	JSXHCESOYMJLJY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115958
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1[nH]nc(c1)c1ccccc1	PC-id_121084052	382.436	MYSREPMUFVRQHO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115959
COc1ccc(cc1)C(=O)c1c(NC(=O)Cc2cscn2)nc2n1CCC2	EMOLS-id_316969741,PC-id_145880097	382.436	CJAHNJMXAQUYNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115960
COc1ccc(CCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1OC	EMOLS-id_324891663	382.436	MGCXQBVTJNRSNG-WJDWOHSUSA-N	00000000110000110001000010000000000000000000000000000000	25-01-115961
COc1ccc(OCCCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)cc1	EMOLS-id_324892166	382.436	HXDWHRRNVGBRJA-VBKFSLOCSA-N	00000000110000110001000010000000000000000000000000000000	25-01-115962
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)c1ccc(cc1)c1ccccc1	PC-id_91364377	382.436	OONSTQSVEZKQPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115963
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-5099010860	382.436	MGCXQBVTJNRSNG-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-115964
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCCOc1ccc(OC)cc1	MCULE-1739516486	382.436	HXDWHRRNVGBRJA-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-115965
N#Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_36081546,EMOLS-id_317044461,MCULE-5891868714	382.436	FMVPVXKSPWVULX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-115966
O=C(c1ccc(cc1)c1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_68441525,SCHEMBL2921205	382.436	VDVWJISNTSMTRP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115967
O=C(c1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2918622,PC-id_68440682	382.436	ZFSJFKWINNGLLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115968
O=C(c1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68439118,SCHEMBL2914214	382.436	PHGUQDVTPLPRNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115969
O=C(Cn1nc(ccc1=O)c1cc(C)ccc1C)Nc1onc2c1CSC2	PC-id_121052002	382.436	OFZDFIIFAVCOEP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115970
O=C(Nc1nc2c(s1)CCC2)c1ccc(=O)n(CCOc2ccccc2)n1	ZINC22_12974341,EMOLS-id_43979328,CoCoCo_4210556,MCULE-5170831335,PC-id_25639731	382.436	XHEBOJXMTHKKKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115971
O=C(N(c1sc2c(n1)C(=O)N(C2)Cc1ccccc1)C)NCc1ccco1	PC-id_53188465	382.436	LLTSSXKZBPFTOK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115972
s1c2CCCc2cc1C(=O)NNC(=O)C1=NN(C(=O)CC1)c1ccccc1	PC-id_24414313	382.436	HTKCXTXRLNMAMW-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-115973
s1c2CCCc2cc1C(=O)NNC(=O)CCc1oc(nn1)c1ccccc1	PC-id_29858168	382.436	IIOPUFPLMFVLRV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115974
S1Cc2c(nn(c2NC(=O)c2ccccc2)CC(=O)NCc2occc2)C1	PC-id_44053262	382.436	NOXOOHAIJJYXNZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-115975
S1Cc2c(noc2NC(=O)CCCn2c(=O)cc(nc2)c2ccccc2)C1	PC-id_49728891	382.436	SOPCBQKXZNVRFQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115976
S1Cc2c(noc2NC(=O)C(n2nc(c3ccc(cc3)C)ccc2=O)C)C1	PC-id_49705512	382.436	VHCXORNQRBZJKG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115977
N#Cc1c(NC(=O)C2CCCN(C2)C(=O)c2ccncc2)nc2n1CCS2	EMOLS-id_99642003	382.44	XSEPEWVRUXNRLJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-115978
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1nnc2n1CCC2	ZINC22_22192357,MCULE-9665223843,PC-id_30094917,EMOLS-id_25006303,CoCoCo_4560558	382.44	NOJFEHXMEDZKGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-115979
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1c(cccc1)C)C(=O)N	PC-id_8553047	382.44	BIMCIVXTVGMWDR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115980
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccc(cc1)C)C(=O)N	PC-id_8676978	382.44	SFTNJEPRGDTFBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115981
s1c(C(=O)Nc2cc(NC(=O)NCc3n4CCCc4nn3)ccc2)ccc1	PC-id_52196639	382.44	OHOPNEUZWHMSDL-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-115982
CC(C)C1=Nn2c(nc(n2)C(C)CNS(=O)[O-])C1=NNc1ncns1	PC-id_89330947	382.445	VYRRFDOPXTVZIY-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-115983
CCOC(=O)C(NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc12)C(C)C	PC-id_44581857,CHEMBL457139	382.453	IBDADVDROSFHGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115984
C=NCC(OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)O)(C)C	SCHEMBL17384888,PC-id_118618250	382.453	WGVPVPWAGXAUKV-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115985
O=C(N[C@@H](C(C)C)C(=O)OCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_25148350	382.453	IBDADVDROSFHGZ-CVMIBEPCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115986
s1c2CCCc2cc1C(=O)NN=Cc1c(n(nc1C)c1ccc(F)cc1)C	PC-id_84958188	382.454	VFWKPLBAUUAWOS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-115987
s1c(/C=C/C(=O)N(Cc2n3CCCc3nn2)C)ccc1c1ccc(F)cc1	PC-id_46458160	382.454	UAIQOBJJHCYZFP-PKNBQFBNSA-N	00000010100100110001100010000000000000000000000000000000	25-01-115988
s1c(C=CC(=O)N(Cc2n3CCCc3nn2)C)ccc1c1ccc(F)cc1	PC-id_75195779	382.454	UAIQOBJJHCYZFP-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-115989
c1(sc2c(CCC2)c1C(=O)N)NS(=O)(=O)c1ccc(c(OC)c1)OC	CoCoCo_5811949,ZINC22_6858535,EMOLS-id_4060020,TIMTEC245523,PC-id_999189,MCULE-2457642750	382.455	JPSJYPDUVQYBSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115990
COc1ccc(cc1OC)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3532728,PC-id_8474223,MCULE-6980244674,EMOLS-id_16730556	382.455	UFLPFIDHRPYNMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115991
COc1ccc(c(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)OC	PC-id_17518780,MCULE-6397272442,CoCoCo_3532727,EMOLS-id_16730554	382.455	SMDZSPRUEOGCHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-115992
s1c2CCCc2cc1C(=O)OC(C(=O)NCCN1C(=O)CSC1=O)C	PC-id_78674878	382.455	XBJMLZSCMTUCLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115993
s1c2CCCc2cc1C(=O)O[C@H](C(=O)NCCN1C(=O)CSC1=O)C	PC-id_8359365	382.455	XBJMLZSCMTUCLN-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-115994
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)NCCN1C(=O)CSC1=O)C	PC-id_8359373	382.455	XBJMLZSCMTUCLN-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-115995
s1c2c(CCC2)c(c1NC(=O)C(=O)N1CC[NH+](CC1)CCO)C(=O)OC	PC-id_8034971	382.455	CUSGEDVKMBICRU-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115996
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC[NH+]1CCOCC1)C(=O)OC	PC-id_8069767	382.455	AXBSBPZRLQVWNM-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-115997
S1(=O)(=O)CC(CC1)CC(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_84825215	382.455	ITTCRCRPUNDDHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-115998
S1(=O)(=O)C[C@@H](CC1)CC(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_8735917	382.455	ITTCRCRPUNDDHN-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-115999
S1(=O)(=O)C[C@H](CC1)CC(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_8735919	382.455	ITTCRCRPUNDDHN-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116000
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)CCc1ccc(cc1)OC	MCULE-1703882032,EMOLS-id_168604184	382.456	NFBCECXXTDHJSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116001
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)CCc1cccc(OC)c1	EMOLS-id_168604193,MCULE-5733676420	382.456	ZJJUNCRYSYIPGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116002
CCCN(C(=O)c1cc2n(n1)CCO2)C1CCN(CC1)C(=O)c1ccccc1	MCULE-7833624450,EMOLS-id_257915991	382.456	SWXQZIAGHWHYJB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116003
CCCNC(=O)c1cc(c(cc1)C)NC(=O)c1c(c2c([nH]1)CN(C2=O)CC)C	PC-id_89467557,SCHEMBL14817180	382.456	NXTFTUVMVLWNTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116004
O=C(N1CCC(CC1)CNC(=O)c1n[nH]c2c1CCC2)OCc1ccccc1	SCHEMBL5374767,PC-id_10177951	382.456	DLXWQHRTUDVESK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116005
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCc1c(C)noc1C	PC-id_92109294	382.456	GGGHJVZPBAYSFT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-116006
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1occc1)Cc1occc1)C#N	PC-id_8841254	382.456	KAVYXQDVMZZVAK-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-116007
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1n1ccnc1	EMOLS-id_328224369,MCULE-3390155098	382.458	BZXSSPBPQDWQPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116008
O=C(C1=NN(C(=O)CC1)C1CCS(=O)(=O)C1)Nc1sc2c(n1)CCC2	EMOLS-id_29665293,PC-id_45853075,MCULE-1851283269,STOCK7S-23628	382.458	JZHKNNMZVOGJQE-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-116009
O=C(Nc1nc2c(s1)CCC2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	CoCoCo_4164220,PC-id_30796760,ZINC22_23040838	382.458	JZHKNNMZVOGJQE-SECBINFHSA-N	00000010100011000001100010000000000000000000000000000000	25-01-116010
O=C(Nc1nc2c(s1)CCC2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	CoCoCo_4164221,ZINC22_23040839,PC-id_30796761	382.458	JZHKNNMZVOGJQE-VIFPVBQESA-N	00000010100011000001100010000000000000000000000000000000	25-01-116011
O=S(=O)(c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2)NC1CC1	EMOLS-id_100459472	382.458	CGKWXLWNGQCSIH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-116012
O=S(=O)(c1cnc2n1CCC2)Nc1ccc(cc1)N1CCCS1(=O)=O	EMOLS-id_100970782	382.458	LKQJVFMDVPEJEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116013
s1c2CCCc2cc1C(=O)NNC(=O)c1n(cc(S(=O)(=O)NC)c1)C	PC-id_36943956	382.458	DAWYURLKSVDLAH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-116014
S(=O)(=O)(N1CCOCC1)c1cc([nH]c1)C(=O)Nc1sc2CCCc2n1	PC-id_33040513	382.458	OBBDXWACRJXMLH-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-116015
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)NC1CCCCC1	MCULE-8841596095,EMOLS-id_207863110	382.459	SYKHDRTZQGGYHW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116016
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)NC3CCCCC3)Cc12	EMOLS-id_316321599,MCULE-2009323348	382.459	UPAVBKBBGQYAJQ-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116017
c1(NC(=O)CSc2nnc(c3ccccc3)o2)sc2c(CCC2)c1C#N	MCULE-1278366029,PC-id_4604111	382.459	AQKPGACKFQQCNM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116018
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccncc1	PC-id_54585859,BindingDB_PC-id_54585859	382.459	GQDHKYZSKSDSNQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116019
CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3n[nH]c4c3CCC4)C1)CC2	ZINC22_1857702028	382.459	WQRCZFIGLLDOPO-FQEVSTJZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-116020
CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c4c3CCC4)C1)CC2	ZINC22_1857702029	382.459	WQRCZFIGLLDOPO-HXUWFJFHSA-N	00000010100010100001000010000000000000000000000000000000	25-01-116021
O=C(N1CCC(CC1)C)c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_60545870	382.459	BCZMQISTELOWDR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116022
O=C(N1C(CCCC1)C)c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_75819119	382.459	RMEWHJVYXPLSEF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116023
O=C(N1[C@@H](CCCC1)C)c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_52277630	382.459	RMEWHJVYXPLSEF-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116024
O=C(N1[C@H](CCCC1)C)c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_52277631	382.459	RMEWHJVYXPLSEF-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116025
O=C(NC1CCCCC1)NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1	MCULE-3988482739	382.459	UPAVBKBBGQYAJQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116026
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)CCN1CCCCC1	PC-id_68441831,SCHEMBL2922079	382.459	QSRQCGLVHCNZBI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116027
O=C(NCc1ccccc1)NC1(C(=O)NCc2nnc3n2CCC3)CCCC1	ZINC22_40050903,PC-id_45869027,CoCoCo_4666321,MCULE-9017930067,EMOLS-id_29998609	382.459	DGDDPYZLUBUUFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116028
O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2)c1n[nH]c2c1CCC2	MCULE-9904127788,EMOLS-id_316923640,ZINC22_616782263	382.459	ASHONXCMOWTCIX-HOTGVXAUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116029
N#Cc1c(NC(=O)CSc2nnnn2c2ccccc2)sc2c1CCC2	MS2_R857165,PC-id_2312361,CoCoCo_3029344,Chemmine_62283,EMOLS-id_685176,MCULE-7311269525,TIMTEC579466,ZINC22_3175392	382.463	YSDXYLWQVHEODS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116030
s1cnc(c1)Cn1ccc(n1)c1ccc(o1)C[NH2+]Cc1nnc2n1CCC2	GD-id_ZINC20543420	382.463	KRDMRYFLKOKHRT-UHFFFAOYSA-O	00000010101000000001100010000000000000000000000000000000	25-01-116031
c1(NC(=O)COCCOC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334338723,MCULE-8662924655	382.474	CNBBDANSRPSPSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116032
CC(C)(C)OC(=O)N1Cc2cc(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)sc2C1	ZINC22_1875267771	382.474	ZDDORESBRWGLPI-AAEUAGOBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-116033
CC(C)(C)OC(=O)N1Cc2cc(C(=O)N3CC[C@H](CO)[C@H](O)C3)sc2C1	ZINC22_1875267772	382.474	ZDDORESBRWGLPI-DGCLKSJQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-116034
CC(C)(C)OC(=O)N1Cc2cc(C(=O)N3CC[C@@H](CO)[C@H](O)C3)sc2C1	ZINC22_1875267773	382.474	ZDDORESBRWGLPI-WCQYABFASA-N	00000010100010000000000010000000000000000000000000000000	25-01-116035
CC(C)(C)OC(=O)N1Cc2cc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)sc2C1	ZINC22_1875267774	382.474	ZDDORESBRWGLPI-YPMHNXCESA-N	00000010100010000000000010000000000000000000000000000000	25-01-116036
CCOC(=O)c1c(NC(=O)CCNC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_327816440,MCULE-8978591090	382.474	VXJWBWBCAJLLGE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116037
CCOC(=O)c1c(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)sc2CCCc12	MCULE-5091995533,EMOLS-id_327896980	382.474	UZKLMBQLZQMGKK-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-116038
OCC1CCN(CC1O)C(=O)c1sc2c(c1)CN(C2)C(=O)OC(C)(C)C	PC-id_146136354	382.474	ZDDORESBRWGLPI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-116039
c1(c2CCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccccc1OC	BAS-06100824,PC-id_2943641,Chemmine_12626,ZINC22_4155144,EMOLS-id_1476183,SPECS-id_AE-848/42024850,ChEMBL-DNDi_CHEMBL7620871,MCULE-5958874054,CoCoCo_345098	382.476	NTURWFZBIIJIDJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-116040
c1(c2CCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccc(cc1)OC	EMOLS-id_16406102,CoCoCo_2720368,PC-id_4689866,MCULE-9621174841	382.476	HXQPQMLOIVYLKQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-116041
c1(NC(=O)C(C)Oc2ccc(cc2OC)CC=C)sc2c(CCC2)c1C#N	MCULE-6258559399,EMOLS-id_44602171,PC-id_3492409	382.476	GZEXRNYRCFDXKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116042
c1(NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	PC-id_2240074,CoCoCo_3037105,SCHEMBL15507901,ZINC22_2887895,ChEMBL-DNDi_CHEMBLF3284-4518,MCULE-1321690162,CHEMBL1352231,ChEMBL-DNDi_CHEMBL1352231,EMOLS-id_3070298	382.476	AIULKYHSYOLDON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116043
Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc3c(s2)CCC3)c1	EMOLS-id_43696720,MCULE-2385369006,ZINC22_4462233,PC-id_7238769	382.476	AVYGNJXUIIWEQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116044
C=CCc1ccc(c(c1)OC)O[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_92257940	382.476	GZEXRNYRCFDXKO-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116045
C=CCc1ccc(c(c1)OC)O[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_92257941	382.476	GZEXRNYRCFDXKO-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116046
COc1ccc(cc1)Cc1c(Cc2ccc(cc2)OC)nc2n1CCS2=O	PC-id_70575151,SCHEMBL11379413	382.476	JULVVOVLVOQQFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116047
COCCC1(C)C(NC(=O)C)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_67899774,SCHEMBL9653827	382.476	GWKBNGCCAVXZFK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116048
N#CCC(N1Cc2c(C1=O)csc2)c1ccc(c(c1)OC1CCCC1)OC	SCHEMBL2998807,PC-id_68471681	382.476	LTCZXUFBOGCMPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116049
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(CCCC)cc1)C#N	PC-id_24522555	382.476	OQZORXOJPFSHEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116050
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(CC(C)C)cc1)C#N	PC-id_8537996	382.476	IOMHWLCXWKWTFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116051
CCC(C(=O)N1CCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_110389783	382.478	ATGHLHFWVAEUKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116052
O=C(C1CCCN1C(=O)CC(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466229	382.478	ICZCFCSKGDQBLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116053
O=C(c1n[nH]c2c1CCC2)NC1CCN(CC1)S(=O)(=O)C1CCOCC1	EMOLS-id_99403005	382.478	XNRRQHWIVHOZLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116054
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC)C(=O)O	PC-id_14124322	382.478	RBKIDCARBONCRG-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-116055
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)CC)C(=O)O	PC-id_10091243	382.478	RBKIDCARBONCRG-GCDPNZCJSA-O	00001011100000000001001010000000000000000000000000000000	25-01-116056
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)CC)C(=O)O	PC-id_10339816	382.478	RBKIDCARBONCRG-RTOGKPCTSA-O	00001011100000000001001010000000000000000000000000000000	25-01-116057
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC)C(=O)O	PC-id_57324111	382.478	RBKIDCARBONCRG-LATOVJMRSA-O	00001011100000000001001010000000000000000000000000000000	25-01-116058
Cc1ccc(c2nc(C)c([C@H](C)N(C)C(=O)c3cc4n(n3)CCO4)s2)cc1	ZINC22_290140739	382.479	UWPDEOOECXBGKF-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116059
Cc1ccc(c2nc(C)c([C@@H](C)N(C)C(=O)c3cc4n(n3)CCO4)s2)cc1	ZINC22_290140744	382.479	UWPDEOOECXBGKF-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116060
Cc1ccc(cc1)c1nc(c(s1)C(N(C(=O)c1nn2c(c1)OCC2)C)C)C	MCULE-1018098716,EMOLS-id_316205580	382.479	UWPDEOOECXBGKF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116061
CSc1ncccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109555	382.479	CBOFCETXXPIZGF-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-116062
N#Cc1c(NC(=O)CN2CCN(c3ccccc3O)CC2)sc2c1CCC2	EMOLS-id_3434207,MCULE-8250943061,PC-id_2654856,ZINC22_34864614,CoCoCo_3569298,CoCoCo_3569299	382.479	MANOSTHVTANTTL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116063
O=C(c1ccc(nn1)N1CCCC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170506	382.479	UKMUHZZNHPXEMX-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-116064
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CSc1ccncc1	PC-id_92109556	382.479	AQMDXTMGQOXAEU-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-116065
s1c2CCCc2c(c1NC(=O)CN(CC(=O)Nc1ccc(cc1)C)C)C#N	PC-id_8729700	382.479	BWWRRWHDRJZALK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116066
c1(c(C)sc(c2ccno2)c1)S(=O)(=O)NCc1cn2c(SCC2)n1	EMOLS-id_316161212,MCULE-7935257339,ZINC22_1506396854	382.481	WTVPDTUZMQSIOH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-116067
CN1CCN(CC1)S(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110346462	382.481	NTMZLGNDDLIEGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116068
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1nccn1Cc1cscn1	MCULE-7304394210,EMOLS-id_48443524,PC-id_72851060	382.483	NWUGYFMGWMNUBO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116069
c1(CN(C)C(=O)NCCc2csc(c3cccnc3)n2)c2CCCc2[nH]n1	MCULE-4946823339,EMOLS-id_177494050,PC-id_122570891,ZINC22_534669036	382.483	IAPOJSCURYJMDN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-116070
Cc1cc(Sc2nccn2C)ccc1NC(=O)c1c(CN)nn2c1CCC2	ZINC22_2325789184	382.483	BMWHWBQVWMMPFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116071
CC(C)c1cnc(NC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)s1	EMOLS-id_189732041,MCULE-1627188212,ZINC22_192396966	382.483	DAQZHWUZAYRUEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116072
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000036	382.483	RXFDUBYHUVJCJQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-116073
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccn2Cc2cscn2)C1	PC-id_97270608,ZINC22_95501066	382.483	NWUGYFMGWMNUBO-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116074
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccn2Cc2cscn2)C1	ZINC22_95501067,PC-id_97270609	382.483	NWUGYFMGWMNUBO-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116075
O=C(Nc1sc(c(n1)c1ccccc1)C(C)C)NCc1nnc2n1CCC2	EMOLS-id_319554535	382.483	HKNGIWGFZUEZJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116076
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1ncccn1)C#N	PC-id_24588733	382.483	VLAPVBHEAFYCHZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-116077
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1nccnc1)C#N	PC-id_43065839	382.483	YNNIYGKKXCEOHE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-116078
S(CC(=O)NCc1n2CCCc2nn1)c1n(c2cc(cc(c2)C)C)ccn1	PC-id_52547285	382.483	ZGWJJHMCILTOPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116079
CCCN(CCC(=O)OCC)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338590,MCULE-4386543955	382.496	GYIKSLAHCNOJJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116080
CCOC(=O)CCCCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5832873222,EMOLS-id_328214135	382.496	QAFVLNOCGVIYIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116081
CSc1cc2n(c1C(=O)c1ccc(cc1)C1CCCCC1)CC[C@H]2C(=O)[O-]	GD-id_ZINC28222576	382.496	QOJGSNNOXJGJHG-QGZVFWFLSA-M	00000010100010110000100010000000000000000000000000000000	25-01-116082
c1(C(=O)OCC)c2C(CCc2sc1NC(=S)NCC=C)C(=O)OCC	EMOLS-id_7635360,PC-id_4397219,SPECS-id_AO-476/41610170,MCULE-7772905844	382.498	VLMRMJPCLNJAMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116083
c1(NC(=O)C2CSC(C)(C)N2C=O)sc2c(CCC2)c1C(=O)OCC	PC-id_19204779,MCULE-4794397248	382.498	FWBDPPFUJGWPOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116084
c1(NC(=O)CS(=O)C(CC)C(=O)OCCC)sc2c(CCC2)c1C#N	MCULE-3168681640,EMOLS-id_320641535	382.498	HYBVIBAKCBDLLZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116085
c1(NC(=O)CS(=O)C(CC)C(=O)OC(C)C)sc2c(CCC2)c1C#N	MCULE-7439621010,EMOLS-id_320641791	382.498	HHMUIZRLEQFWCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116086
c1(NC(=O)CS(=O)C(C)C(=O)OCC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320644592,MCULE-2760294769	382.498	JNCJZSNFOVJGJX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116087
c1(NC(=O)CS(=O)C(C)C(=O)OCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320676714,MCULE-7846421149	382.498	CPUYXQCMEMYQID-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116088
c1(NC(=O)CS(=O)C(C)C(=O)OC(C)CC)sc2c(CCC2)c1C#N	EMOLS-id_320677994,MCULE-7309441647	382.498	XUQDNFPCZWEPME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116089
c1(NC(=O)CS(=O)CC(=O)OCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320642815,MCULE-6453704940	382.498	AVKNMXBNXYQOSV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116090
c1(NC(=O)CS(=O)CC(=O)OCCC(C)C)sc2c(CCC2)c1C#N	MCULE-9122497018,EMOLS-id_320639231	382.498	JPVKNNNEIVHTHW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116091
C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)[C@H](C(=O)OCC)CC2	CoCoCo_6961759,PC-id_1817146,ZINC22_2180942	382.498	VLMRMJPCLNJAMM-SNVBAGLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116092
C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)[C@@H](C(=O)OCC)CC2	ZINC22_4665075,PC-id_6576985,CoCoCo_6961760	382.498	VLMRMJPCLNJAMM-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-116093
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)CCN1CCCS1(=O)=O	EMOLS-id_101168475	382.498	ABRYQYKJZRFZGD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-116094
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)CCO)C(=O)OCC	PC-id_52309516	382.498	DCFWWXBYGWOEGH-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-116095
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC(=O)NCC)C(=O)OCC	PC-id_9433098	382.498	BTZQNOBMGFLYFK-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-116096
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N(CC)CC)C)C(=O)OC	PC-id_26628216	382.498	MNERNQTVYAMRDH-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-116097
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)C)C(=O)OC	PC-id_34163258	382.498	HVQNKBRXGNJUMT-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-116098
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)CC)C(=O)OC	PC-id_51563247	382.498	NXUROBMVEBDCSE-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-116099
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)C)C(=O)OCC	PC-id_27651472	382.498	TWNNZOXLWVBMJE-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-116100
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NCCC)C)C(=O)OCC	PC-id_9303070	382.498	HGFJPLOSLLSGAV-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-116101
c12CN(Cc1nn(CC1CCCC1)c2CN(C)C)C(=O)OCc1ccccc1	MCULE-4087704992,EMOLS-id_324350824	382.499	SAFMAQHPDQHUOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116102
c1(c2CCCc2sc1N=Cc1cccs1)C(=O)Nc1ccccc1OC	PC-id_7333864,MCULE-3716280897	382.499	HALGFILTSACXDM-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116103
c1(c2CCCc2sc1N=Cc1cccs1)C(=O)Nc1ccc(cc1)OC	PC-id_7333865,MCULE-9951705483	382.499	TXJGNNXGPVXRRM-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116104
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)C	CoCoCo_665281,PC-id_1284339,EMOLS-id_1231121,BAS-00487069,MCULE-5140117978,ZINC22_1104467	382.499	POQMYBXAKPACSF-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116105
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1C	MCULE-8561770120,ZINC22_1081036,PC-id_1268007,EMOLS-id_1115820,CoCoCo_81827	382.499	XZFNRGQQNKSUKX-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116106
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1cccc(C)c1	CoCoCo_81831,MCULE-4629469118,ZINC22_1188264,PC-id_1350430,BAS-00487081,EMOLS-id_1231131	382.499	JILSIAQCRPMWFP-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116107
c1(C(=O)NCC2CCN(CC2)Cc2ccccc2C)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316334431,MCULE-6144571964	382.499	SVNHMFSBJPBVIJ-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116108
c1(C(=O)NCCC2CCN(CC2)Cc2ccccc2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316337501,MCULE-6480064800	382.499	DORJWRPGFYHPMH-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116109
c1(C(=O)NCCN2CCC(CC2)Cc2ccccc2)cc2n(C[C@@H](OC)C2)n1	EMOLS-id_316337502,MCULE-3534705992	382.499	MCOKAUIZHMQYHL-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116110
Cc1ccc(cc1)C(CNC(=O)c1nn2CCOc2c1C)N1CCCCCC1	PC-id_91959941	382.499	DYHFEMQNQGBNNQ-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-116111
Cc1ccccc1CN(C(=O)c1n[nH]c2c1CCC2)CCCN1CCOCC1	ASN-20329030	382.499	GREXCURRVFHGIW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116112
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)/C=N/NC(=O)c1n[nH]c2c1CCC2	PC-id_135788681	382.499	LDNGVKJAMLGMMG-FSJBWODESA-N	00000010100000110001000010000000000000000000000000000000	25-01-116113
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CN1Cc2c(C1=N)n(cn2)C	PC-id_87284316	382.499	AKRQVNMQCHAPMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116114
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)CCC1CCCCC1	MCULE-8395036932	382.522	GDNOOPYMSZBICU-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116175
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CN1Cc2c(C1=N)ncn2C	PC-id_87284500	382.499	PPIVRVORFGIAFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116115
C[C@@H]1CN(C[C@@H](O1)C)Cc1ccc(cc1)CN(C(=O)c1cn2c(n1)CCC2)C	EMOLS-id_316475102	382.499	SJTNLOORCULCCS-CALCHBBNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116116
C[C@@H]1CN(C[C@@H](O1)C)Cc1ccc(cc1)CN(C(=O)c1cnc2n1CCC2)C	EMOLS-id_316728712	382.499	DMVJIIKYWUFJHO-CALCHBBNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116117
C[C@@H]1CN(C[C@@H](O1)C)Cc1ccc(cc1)CN(C(=O)c1cnn2c1CCC2)C	EMOLS-id_278414780	382.499	LHYDTUZBDUJVSU-CALCHBBNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116118
C[C@@H]1CN(C[C@@H](O1)C)Cc1ccc(cc1)CN(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_319666173	382.499	YWSOWNABWCUCPI-IYBDPMFKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116119
CC(=O)c1ccccc1c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)s1	CHEMBL1821922,PC-id_56668693	382.499	NISVCIFMXYEFRV-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-116120
CCOc1ccc(cc1)NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109977	382.499	PTQSTWFZPLORSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116121
CCOc1ccccc1NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109987	382.499	OTFICTDKCDCVBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116122
COc1ccc(cc1)CNC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109990	382.499	NQJAQUQIASQWBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116123
COc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1cccs1	EMOLS-id_46388687,ZINC22_4723885,PC-id_16469630,CoCoCo_6250445	382.499	HALGFILTSACXDM-CIAFOILYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116124
COc1ccccc1NC(=O)c1c(/N=Cc2cccs2)sc2c1CCC2	CoCoCo_6250446	382.499	HALGFILTSACXDM-MTJSOVHGSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116125
COc1ccc(cc1)NC(=O)c1c(/N=Cc2cccs2)sc2c1CCC2	CoCoCo_6250448	382.499	TXJGNNXGPVXRRM-MTJSOVHGSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116126
COc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccs2)cc1	CoCoCo_6250447,ZINC22_4723886,EMOLS-id_46388689,PC-id_16469631	382.499	TXJGNNXGPVXRRM-CIAFOILYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116127
O=C1C(=CC(=CNNC(=O)c2n[nH]c3CCCc23)C=C1C(C)(C)C)C(C)(C)C	PC-id_5977926	382.499	SOFWOSSARRXRJO-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-116128
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(=CC1)c1ccccc1)C(=O)N	PC-id_8759635	382.499	BKYUTVRPSYQYGV-UHFFFAOYSA-O	00000010100011110000100010000000000000000000000000000000	25-01-116129
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(OCC=C)cc1)C)C#N	PC-id_8111352	382.499	OPLDMTKUYFEFAH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-116130
s1c(NC(=O)C[NH+](C2CC2)Cc2ccc(OC)cc2)c(c2CCCc12)C#N	PC-id_8770226	382.499	BGTYEKLOQOLBQU-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-116131
c1(NC(=O)CN2CCN(CC2)S(=O)(=O)CC)sc2c(CCC2)c1C#N	MCULE-6869195558,EMOLS-id_321722952	382.501	HNXYQVSGQUMZEB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116132
CS(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	PC-id_25511128,MCULE-9454038480,ZINC22_12787118,EMOLS-id_16797990,CoCoCo_4468154	382.501	VIWDSWSLQKMJGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116133
N#Cc1c(NC(=O)C(N2CCN(CC2)S(=O)(=O)C)C)sc2c1CCC2	EMOLS-id_110676082	382.501	HTNCWBYGOMMATM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116134
O=C(C(C)(C)C)NCCc1ccc(s1)S(=O)(=O)N1Cc2c(C1)cn[nH]2	MCULE-5535888487,EMOLS-id_316408077	382.501	FXIJFGSGXDDMQU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-116135
O=S(=O)(c1cnn(c1)C1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102020929	382.501	UJDSJOGYZLXQDZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116136
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CC[NH+](CC1)CCO	PC-id_7685583	382.501	ZUZNSNKLHRWZML-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-116137
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCC[NH+]1CCOCC1	PC-id_7685494	382.501	PEGAGAWJQNWTPF-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-116138
S(=O)(=O)(N(CC)CC)c1cc(n(c1)C)C(=O)Nc1sc2CCCc2n1	PC-id_33040641	382.501	BHUWZKQWMHRUFC-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-116139
c12SCCn1cc(CNC(=O)c1ccc(cc1)CSc1ccccn1)n2	MCULE-3622478919,ZINC22_828157737,EMOLS-id_232844443	382.502	DCDCUMLIWFKGOR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116140
c1(NC(=O)c2ccc(cc2)CSc2ccccn2)n(C)nc2CSCc12	ZINC22_1529147196,MCULE-2426809137,PC-id_134703339,EMOLS-id_316164562	382.502	VYUKHOXOWBYLHV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116141
c1(NC(=O)CSc2nc(C)c(c(C)c2C#N)C)sc2c(CCC2)c1C#N	EMOLS-id_3750032,CoCoCo_6930064,SPECS-id_AM-807/14147258,PC-id_1005131,MCULE-9784666582,STOCK3S-24342,ZINC22_663283	382.502	MJPQWENKCXSEST-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116142
c1(NC(=O)CSc2nc(CC)c(cc2C#N)C)sc2c(CCC2)c1C#N	ZINC22_663295,MCULE-7051875685,STOCK2S-93113,PC-id_1005141,EMOLS-id_3746298,CoCoCo_6930068,SPECS-id_AM-807/14147267	382.502	FJGIRPGGWMNQDD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116143
CCNC(=NCc1ccc(cc1OCC1CC1)C)NCc1nnc2n1CCC2	PC-id_109586425	382.502	VQUPJKXFHWBADE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-116144
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)COCc1ccccc1	PC-id_111526761	382.502	BHKDNBMJKHURII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116145
CCNC(=NCc1nnc2n1CCC2)N1CCOC(C1)c1ccc(cc1C)C	PC-id_109522455	382.502	BIGDQTOIXKXUSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116146
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OC1CCCC1)C	PC-id_109609104	382.502	LIZVFZHEKAEIHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116147
O=C(N1CCN(CC1)Cc1ccccc1)NC(c1n2CCCc2nn1)C(C)C	PC-id_60276746	382.502	MVQSPEKKSIRZCW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116148
O=C(Nc1c(CN(C2CCCCC2)C)cccc1)NCc1n2CCCc2nn1	PC-id_60449025	382.502	ONAIBMFFOGWPSR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116149
O=C(NC(c1nnc2n1CCC2)C)NC1CCN(CC1)Cc1ccccc1C	EMOLS-id_98765881	382.502	VYBBOSOIMVBREP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116150
CN=C(NCc1nnc2n1CCC2)NCC1CCCOC1c1ccc(cc1)C	PC-id_111619682	382.503	OKBHFCOMLHERPS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116151
CCc1nsc(n1)N1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100208815	382.504	QZPRHFTWVCWRBN-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-116152
N/N=C(N(C1CC1)N)/SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_138577856,SCHEMBL20936253	382.504	PZBYSCILJFKOOS-HMMYKYKNSA-N	00100010100000000000000010000000000000000000000000000000	25-01-116153
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCC(CC1)C	ZINC22_722346,SPECS-id_AG-667/13587034,CoCoCo_759066,PC-id_1047307,MCULE-4307106703,EMOLS-id_1117380,TIMTEC36342	382.519	PFAVTPHAQWHJIJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-116154
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCCCCC1	CoCoCo_1949675,MCULE-1310325378,EMOLS-id_15937101,PC-id_4022827	382.519	UGGXFAORUVJTJD-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-116155
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCCC(C)C1	EMOLS-id_1993364,PC-id_2919642,MCULE-7519581778	382.519	ACMOMDKFBYHODP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-116156
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCCCCC1	PC-id_1047308,CoCoCo_734956,ZINC22_722347,MCULE-2579798713,EMOLS-id_2123208,SPECS-id_AG-667/13587037	382.519	LDTIULWXEDSYSD-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-116157
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCCCCC1	ZINC22_1219997,EMOLS-id_1116316,MCULE-2161840680,PC-id_1372484,STOCK2S-28290,CoCoCo_707644	382.519	DEWDKLRQHXNPRL-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-116158
c1(NC(=O)C2CCCC2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4534868586,EMOLS-id_334333858	382.519	FOYZWORSDOLTBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116159
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-8299141034	382.519	FMVPYQSCJAVMIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116160
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-7735103041,EMOLS-id_322625602	382.519	CVSOASZMSLFXDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116161
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCC[C@@H](C)C1)CCC2	CoCoCo_854770,ZINC22_1155639,PC-id_1325182	382.519	ACMOMDKFBYHODP-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-116162
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCC[C@H](C)C1)CCC2	ZINC22_1155640,PC-id_1325183,CoCoCo_854769	382.519	ACMOMDKFBYHODP-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-116163
CCCNC1c2cc(sc2S(=O)(=O)C1(C)CCOC)S(=O)(=O)N	SCHEMBL9654094,PC-id_21735835	382.519	WHBKXLBOZIMAOP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116164
CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_57316116,PC-id_17313980	382.519	XDZIAVNHIOUJLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116165
CNC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc2CCCc12	EMOLS-id_334328022	382.519	FMVPYQSCJAVMIK-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116166
COCCCC1(C)C(NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9652913,PC-id_21735824	382.519	HFVLVFQZDLSABU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116167
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CNC2(C)C	SCHEMBL19537261	382.521	IDUYTGVLZHRGSS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-116168
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537513	382.521	HQHANBMVTJNRBH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-116169
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2cccs2)CC1	MCULE-5863518045,EMOLS-id_16774528,ZINC22_8191517,CoCoCo_3308369,PC-id_9326672	382.521	ABAIUZXEQUTRBH-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-116170
O=S1Cc2c(C1)nc(s2)NC(=O)c1cccc(c1O)SC(C)(C)C	PC-id_56971589,SCHEMBL10181802	382.521	KFNUBJDPHWXGMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116171
s1c2c(CCC2)c(c1NC(=O)CSc1scc(n1)C)C(=O)OCC	PC-id_4814572	382.521	HLRCSTKOIAXUTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116172
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)C(CCC)CCC	PC-id_44052941	382.521	GCINEQFKICRKIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116173
CN(C)c1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324902915	382.522	GDNOOPYMSZBICU-JXAWBTAJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116174
s1c2CCCc2c(c1NC(=O)CN(Cc1ccc(N(C)C)cc1)CC)C#N	PC-id_8458355	382.522	HMJNQSUJLQTUBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116176
CN(CCN1CC(c2c1scc2)S(=O)(=O)c1cnc2n1ccs2)C	PC-id_22149016,SCHEMBL5239975	382.524	DVWRHJQEGRTLAF-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-116177
CN(CCN1CCc2c1sc(c2)S(=O)(=O)c1cnc2n1ccs2)C	PC-id_69366973,SCHEMBL5239982	382.524	MQDSIGKEXZTCDW-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-116178
O=C(N1Cc2c(C1)c(n(n2)COCC[Si](C)(C)C)C(=O)N)OC(C)(C)C	SCHEMBL6889590,PC-id_69929300	382.53	PTKCOKWBNGPDBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116179
c1(NC(=O)CCCSC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334338722,MCULE-6829564911	382.541	KACVTIFELBZCIU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116180
O=C(N1CCCC(C1)S(=O)(=O)NC1CCCC1)c1sc2c(c1)CCC2	EMOLS-id_99195802	382.541	XMGCGXMINKQSIK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-116181
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCCCCC)C(=O)OC	PC-id_4958900	382.541	RULHWGYKXYGXKD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116182
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCCCC)C(=O)OCC	PC-id_54789001	382.541	CODWJABPTMACNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116183
Cc1cc(CN2Cc3cnn(CCO)c3C2)c(C)c(CN2CCC[C@H](C)C2)c1	PC-id_99941991,ZINC22_215974732	382.542	RDIFRFKOCSYQOM-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116184
CC1CCCN(Cc2cc(C)cc(CN3Cc4cnn(CCO)c4C3)c2C)C1	EMOLS-id_49888415,PC-id_77091198,MCULE-4755834057	382.542	RDIFRFKOCSYQOM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116185
N#Cc1c(NC(=O)C[N@@H+](Cc2ccc(cc2)C(C)(C)C)C)sc2c1CCC2	PC-id_2112982,GD-id_ZINC02649835	382.542	OQRGSXAPXAYNCE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-116186
OCCn1ncc2c1CN(C2)Cc1cc(C)cc(c1C)CN1CCC[C@H](C1)C	PC-id_99981072	382.542	RDIFRFKOCSYQOM-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116187
s1c2c(CCC2)c(c1NC(=O)CC[NH+](Cc1ccc(C(C)C)cc1)C)C#N	PC-id_32153771	382.542	FZLQYKKYEZEIPL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-116188
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C(C)C)c1ccc(cc1)CC)C#N	PC-id_84894831	382.542	OLKYXTTZXVNEKM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-116189
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](C(C)C)c1ccc(cc1)CC)C#N	PC-id_8992142	382.542	OLKYXTTZXVNEKM-OAQYLSRUSA-O	00000010100000110000000010000000000000000000000000000000	25-01-116190
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](C(C)C)c1ccc(cc1)CC)C#N	PC-id_8992145	382.542	OLKYXTTZXVNEKM-NRFANRHFSA-O	00000010100000110000000010000000000000000000000000000000	25-01-116191
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCC[NH+](CC)CC	PC-id_7685492	382.544	NRVGJVIYZDMMBE-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-116192
CCC1CN(Cc2cnn3c2CCC3)C(CN1Cc1cnn2c1CCC2)CC	MCULE-1183700197,EMOLS-id_316930796	382.546	CXGCWZSQPAGLRS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116193
CC[C@H]1CN(Cc2cnn3c2CCC3)[C@H](CC)CN1Cc1cnn2c1CCC2	ZINC22_667713369	382.546	CXGCWZSQPAGLRS-BGYRXZFFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116194
CC[C@H]1CN(Cc2cnn3c2CCC3)[C@@H](CC)CN1Cc1cnn2c1CCC2	ZINC22_667713370	382.546	CXGCWZSQPAGLRS-PMACEKPBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116195
CC[C@@H]1CN(Cc2cnn3c2CCC3)[C@H](CC)CN1Cc1cnn2c1CCC2	ZINC22_667713371	382.546	CXGCWZSQPAGLRS-WOJBJXKFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116196
C=CC([C@@H]1CCc2c1c(C)sc2C(=O)CCc1c(C)cc(cc1C)O)(C)C	PC-id_143295747	382.559	MNNWCXUXWUDYRE-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116197
O=C(N1Cc2c(C1(C)C)n(nc2N)COCC[Si](C)(C)C)OC(C)(C)C	PC-id_57519202,SCHEMBL3327257	382.573	STOBKQCPTQRUGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116198
O=C(N1Cc2c(C1(C)C)nn(c2N)COCC[Si](C)(C)C)OC(C)(C)C	PC-id_59508248,SCHEMBL13151634	382.573	IWGHCFVGJIINJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116199
s1c2c(CCC2)c(c1NC(=S)NCCCCCCCCC)C(=O)OC	PC-id_19651153	382.584	ASDRLBBNVMRFQC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116200
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1F	EMOLS-id_324911106	382.6	CNZQGWIFGKJGKT-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116201
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c(F)c1	EMOLS-id_324911618	382.6	BWZJPFLVPQXGER-BAQGIRSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116202
Fc1ccc(F)c(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324912135	382.6	XREMLBNRESPCCX-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116203
n12c(=O)c(=Cc3ccc(cc3F)F)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-3735010632	382.6	BWZJPFLVPQXGER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116204
n12c(=O)c(=Cc3ccc(c(F)c3)F)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-4104136623	382.6	CNZQGWIFGKJGKT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116205
n12c(=O)c(=Cc3cc(F)ccc3F)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8847639322	382.6	XREMLBNRESPCCX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116206
C=CCOc1c(C)cc(cc1[Si](C1C(=C(c2c1sc(c2)C)C)C)(C)C)C	PC-id_21880869,SCHEMBL2915865	382.634	RYHJVTWVLVNOQJ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-116207
Brc1c(C(=O)c2n3CCC(c3c(Cl)c2)C(=O)OC)cccc1	SCHEMBL11007156,PC-id_20405038	382.636	PUCUJDMTXHWWKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116208
Brc1cc(C(=O)Nc2sc3CCCc3c2C#N)c(Cl)nc1	PC-id_62001015	382.663	QXCKFBNZZOFVRQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116209
S1C2=C(S/C/1=C/C=C
/SC3=C(S1)SCS3)SCS2	PC-id_15721782	382.675	WTUGQNZPNGDFIU-UHFFFAOYSA-N	00000011000000000001000010000000000000000000000000000000	25-01-116210
CCC1C(=NON[N+]2=CC=NC2C(Cl)(Cl)Cl)n2ccnc2S1	PC-id_88753484	382.677	KAFLUHHLMXCTMW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-116211
CCC1Sc2n(C1=NON=[N+]1C=CNC1C(Cl)(Cl)Cl)ccn2	SCHEMBL11277618	382.677	SZCAUXABXUDRNZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-116212
Cc1c(n2CC(Cc2c1C(=O)C(=O)O)F)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL20238959,PC-id_134586625	382.746	HJYALJOWJJGHKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116213
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)O)F)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920728,PC-id_134303008	382.746	HJYALJOWJJGHKV-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116214
COC(=O)C(=O)c1c(Cl)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL21378225,PC-id_139507367	382.746	MTYPEWYUEJCFBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116215
F[C@H]1CCN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F	SCHEMBL19584300	382.792	HCCQSFUQYNPPIW-ZSOXZCCMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116216
Fc1ccc(Cl)c(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	MCULE-2455571511,EMOLS-id_31548328,PC-id_46861315	382.815	WOVZIRSHDGVHQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116217
Fc1cc(Cl)ccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31548332,MCULE-8854669445,PC-id_46861317	382.815	UXJGFFFMCMCKEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116218
Fc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(Cl)c1	MCULE-5551958841,PC-id_46861314,EMOLS-id_31548326	382.815	HJXWRMAONHNVJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116219
Fc1c(Cl)cccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31548330,MCULE-8166444649,PC-id_46861316	382.815	XOMUPJWASNRJHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116220
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cccc(Cl)c1F	PC-id_52340483,ZINC22_51364532	382.815	XOMUPJWASNRJHI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116221
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cccc(Cl)c1F	ZINC22_51364531,PC-id_52340482	382.815	XOMUPJWASNRJHI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116222
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Cl)cc1F	ZINC22_51364533,PC-id_52340484	382.815	UXJGFFFMCMCKEK-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116223
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Cl)cc1F	ZINC22_51364534,PC-id_52340485	382.815	UXJGFFFMCMCKEK-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116224
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(F)cc1Cl	PC-id_52340478,ZINC22_51364527	382.815	HJXWRMAONHNVJF-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116225
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(F)cc1Cl	ZINC22_51364528,PC-id_52340479	382.815	HJXWRMAONHNVJF-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116226
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cc(F)ccc1Cl	ZINC22_51364529,PC-id_52340480	382.815	WOVZIRSHDGVHQV-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116227
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cc(F)ccc1Cl	ZINC22_51364530,PC-id_52340481	382.815	WOVZIRSHDGVHQV-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116228
Clc1nc(Nc2n[nH]c3C(N(Cc23)C(=O)OC(C)(C)C)(C)C)c(F)cn1	PC-id_57519194,SCHEMBL3327199	382.82	AHOLFBLHXWNTHL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-116229
Clc1cc(F)c(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24406478	382.837	JYBMRPGCJAQZDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116230
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(F)cc1	PC-id_24583411	382.837	GIXVWDMWYCYBCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116231
Clc1c(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(F)c1	PC-id_24406469	382.837	RVIBFVXTWHKUFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116232
CCOC(=O)n1nc2c(c1NC(=O)C1CCCC1)CN(C2(C)C)C(=O)Cl	SCHEMBL1204680,PC-id_58015715	382.842	DBSUGZOGVJMRQB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116233
CCOC(=O)n1nc2c(c1NC(=O)C1CCCCC1)CN(C2C)C(=O)Cl	PC-id_143492499	382.842	XKNFCVHFAMWFEB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116234
Clc1ccc(COc2c(C(=O)NCc3n4CCCc4nn3)cccc2)cc1	PC-id_52375802	382.843	MFTCZFUCMRWOFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116235
Clc1c(OCC(=O)NCc2n3CCCc3nn2)ccc(c2ccccc2)c1	PC-id_52375805	382.843	GIRHVNCMPQSGMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116236
Clc1c(c(c2oc(C(=O)Nc3sc4CCCc4c3C#N)cc2)ccc1)C	PC-id_4511568	382.863	XSLHQIVFZZSLGH-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-116237
Clc1cc(c2oc(C(=O)Nc3sc4CCCc4c3C#N)cc2)ccc1C	PC-id_4511747	382.863	DJWAHFCDFPVPCL-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-116238
Clc1ccc(NC(=O)c2cc3N(CCc3s2)C(=O)c2ccccc2)cc1	ZINC22_96146794,EMOLS-id_44303562,PC-id_97442321	382.863	LRPJQYJWMHWXQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116239
c1(NC(=O)c2cnn(c3ccc(cc3)Cl)c2C)sc2c(CCC2)c1C#N	MCULE-5700813257,EMOLS-id_322818093	382.867	PMIUSYJDQWONFL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116240
Cc1c(cnn1c1cccc(Cl)c1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1382030225,EMOLS-id_322818605	382.867	JKDPRVMKZOGXIY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116241
Cc1c(c(=O)n([nH]1)c1ccc(cc1)Cl)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135444172	382.867	PYIIQIJQLLANTQ-LSHDLFTRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116242
Cc1c(c(=O)n([nH]1)c1cc(ccc1)Cl)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135467551	382.867	MNRSUAVVXNDJJW-LSHDLFTRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116243
CC1=NN(c2cccc(Cl)c2)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	SPECS-id_AG-690/37123028,EMOLS-id_45932569,CoCoCo_121806,PC-id_5439945,ZINC22_103785108	382.867	MUKVORPAMVCEMY-YBEGLDIGSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116244
CC1=NN(c2cccc(Cl)c2)C(=O)/C/1=C/Nc1sc2c(c1C#N)CCC2	ZINC22_101122347,CoCoCo_121807,EMOLS-id_49396765	382.867	MUKVORPAMVCEMY-MHWRWJLKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116245
CC1=NN(c2ccc(Cl)cc2)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	CoCoCo_121784,ZINC22_100552404,BAS-00709934,SPECS-id_AG-690/11820021,PC-id_5437328,EMOLS-id_1264964	382.867	VSMKFIJOQLDHTG-YBEGLDIGSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116246
CC1=NN(c2ccc(Cl)cc2)C(=O)/C/1=C/Nc1sc2c(c1C#N)CCC2	CoCoCo_121785,ZINC22_101122381,EMOLS-id_49396767	382.867	VSMKFIJOQLDHTG-MHWRWJLKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116247
Clc1ccc(n2[nH]c(=C)c(=CNc3sc4CCCc4c3C#N)c2=O)cc1	PC-id_4049144	382.867	MXJIFXHCZRSMSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116248
N1(c2ccc(cc2)Cl)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	MCULE-7840026528,PC-id_22303751	382.867	VSMKFIJOQLDHTG-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116249
N1(c2cccc(Cl)c2)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	PC-id_22304554,MCULE-2602159761	382.867	MUKVORPAMVCEMY-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116250
c1(NC(=S)Nc2c(O)ccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	TIMTEC463367,ZINC22_17078222,EMOLS-id_4060536,CoCoCo_6823073,PC-id_17255560,MCULE-1373041651	382.885	SYQVWWDSQCYNQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116251
Cc1c(cc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C)Cl	SCHEMBL14055093,PC-id_89236627	382.885	IFRWCTJACKUQDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116252
Clc1ccc(C=CS(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_78705954	382.885	RGXXUDQVTAJIAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116253
Clc1ccc(/C=C/S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_8474192	382.885	RGXXUDQVTAJIAM-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116254
ClC(Cl)(Cl)c1nn2c(CCC2=CC(=O)C(Cl)(Cl)Cl)c1	PC-id_21578556	382.885	ROGCGNZGPVYGGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116255
Brc1sc(c2c1S(=O)(=O)NS2(=O)=O)Br	SCHEMBL17130527,PC-id_118409214	383.058	WPLXUGAHJIJSCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116256
Brc1sc(Br)c2CN(Cc12)C(=O)OC(C)(C)C	PC-id_18947041,SCHEMBL9186037	383.099	AXLYQIZUWMESHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116257
C1CC2=C(C1)OC(=C2C(=O)N)NC(=O)CSC3=NN=CN3C4=CC=CC=C4	PC-id_155097912	383.105	BKQSZWHJHOTJHZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116258
CCOC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N)C	PC-id_155038156	383.128	CCCKSIUWOKZAFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116259
CN1C(=C2CCCC2=N1)NC3=NC(=NC=C3)CC4=CC(=CC=C4)S(=O)(=O)C	PC-id_161751720	383.142	XMLPUZQKULHNKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116260
CCC1=CC=CC=C1C(CO)C(=O)N2CC3=CN(N=C3C2)S/C(=C/C)/C=C	PC-id_164872222	383.167	KBNCWJUGBWDJHG-UBKPWBPPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116261
c12CN(Cc1nn(C)c2I)C(=O)OCc1ccccc1	EMOLS-id_324342374,MCULE-2708275163	383.184	NZANVMMJGDTRPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116262
Ic1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_55697042	383.188	MSYKWOUNMDWBJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116263
Ic1cc(NC(=O)NCc2n3CCCc3nn2)ccc1	PC-id_60446861	383.188	JCZFFPHUHPTHMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116264
Ic1c(NC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_60447340	383.188	HYRZPXLGYWQVLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116265
Brc1ccc(c(c1)F)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_5218734,CoCoCo_4968451,ChEMBL-DNDi_CHEMBLF0161-0378	383.235	YUFPJMKBOAWCNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116266
Brc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)c(F)cc1	PC-id_26872661	383.235	UUCIZNNNOLZYSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116267
Brc1c(C(=O)NNC(=O)c2sc3CCCc3c2)ccc(F)c1	PC-id_26281046	383.235	DFVGLXHAWAIONH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116268
Brc1c(C(=O)NNC(=O)c2sc3CCCc3c2)cc(F)cc1	PC-id_27684774	383.235	SEXXNFDDNVTBQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116269
CC1=C(N=C(N=C1N2CC[C@H](C2)NCC3=C4CCCN4N=C3)C(=O)N(C)C)C	PC-id_154795249	383.243	KTBGWMVXMZWSKQ-MRXNPFEDSA-N	00000010100000100001100010000000000000000000000000000000	25-01-116270
Ic1ccc(c(c1)NC(=O)c1sc2c(c1)CCC2)C	PC-id_114257105	383.247	FCCFSZRCYABSMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116271
Ic1ccc(C(=O)NCc2sc3CCCc3c2)cc1	PC-id_61400524	383.247	RAWNUXBRQKOQAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116272
Ic1cc(C(=O)NCc2sc3CCCc3c2)ccc1	PC-id_61400525	383.247	LWLNPDHKJBVVTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116273
Ic1cc(NC(=O)c2sc3CCCc3c2)ccc1C	PC-id_8874222	383.247	UHNAQSYZTAKIJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116274
Ic1c(C(=O)NCc2sc3CCCc3c2)cccc1	PC-id_61400526	383.247	PATVZVKDWOOJNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116275
COc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(OC)c1Br	ZINC22_12861140,CoCoCo_4164345,EMOLS-id_24127415,MCULE-4407196568,PC-id_25559352	383.26	AVRXMHCGAWHTFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116276
c1(NC(=O)c2c(Br)cnn2CC)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL1411085,ZINC22_2487645,CoCoCo_941983,MCULE-5417075138,CHEMBL1411085,EMOLS-id_2259790,PC-id_2056596	383.263	SNTVXAWGEXKZDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116277
c1(NC(=O)c2nn(cc2Br)CC)sc2c(CCC2)c1C(=O)N	CoCoCo_6453564,ZINC22_28227462,MCULE-5731319019,EMOLS-id_15294174,PC-id_35524798	383.263	KYZGNMCTNRZOKH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116278
c1(NC(=O)CCn2cc(cn2)Br)sc2c(CCC2)c1C(=O)N	CoCoCo_6578756,EMOLS-id_4060696,MCULE-3662708875,PC-id_4768890,TIMTEC408684,ZINC22_6828498	383.263	QPOXMRFHWSKZHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116279
c1(NC(=O)Cn2cc(c(C)n2)Br)sc2c(CCC2)c1C(=O)N	CoCoCo_6580580,PC-id_4772639,ZINC22_2782155,EMOLS-id_4060712,MCULE-3250652831,TIMTEC297531	383.263	LVQXYHQFRWBYHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116280
c1(NC(=O)Cn2c(C)c(cn2)Br)sc2c(CCC2)c1C(=O)N	EMOLS-id_4060710,MCULE-3624910629,CoCoCo_6580342,PC-id_17020891,ZINC22_2781605,TIMTEC153209	383.263	FQPFJHLOQHUYFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116281
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)N)c(Br)c(n(C)n1)C	MCULE-2996271524,ZINC22_657175,TIMTEC573317,CoCoCo_6597586,SPECS-id_AK-968/41926796,PC-id_1001490,EMOLS-id_4060698	383.264	YLEUIBTXZJYRGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116282
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)N)c(Br)c(nn1C)C	EMOLS-id_4060702,ZINC22_2778796,MCULE-1345116208,TIMTEC512864,PC-id_17020609,CoCoCo_6579395	383.264	VVVJCVHTQJPOOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116283
CN=C(NCc1nnc2n1CCC2)NCC(c1cc(Cl)cc(c1)Cl)O	PC-id_120051433	383.276	SMQGVQWQBPFPLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116284
Brc1ccc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cc1	CoCoCo_6400513,PC-id_45147262	383.283	PLSQHSDFWUNCIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116285
Brc1cc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_61217978	383.283	AHKOVNIIJGQIEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116286
Brc1c(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cccc1	PC-id_61217977	383.283	MMJITHDJWYDGSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116287
Brc1ccccc1c1ccc(CNCc2nnc3n2CCC3)cc1	ZINC22_509533608	383.285	RYXBPJLYVLECLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116288
Clc1cc(C(=O)c2c3CCC(c3sc2C)CCC(=O)O)ccc1Cl	SCHEMBL10743417,PC-id_20213609	383.289	GKQIUTDPEGGXMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116289
CNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)I	PC-id_115863944	383.29	QRXSCZBBKVVFND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116290
Ic1ccc(C(NCc2sc3c(CCC3)c2)C)cc1	PC-id_61206661	383.29	XYCVSTVMXVJGCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116291
Clc1c(CCC(=O)NNC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_46578458	383.292	IYXNSPFAQGYGEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116292
Clc1cc(NC(=O)CN(C(=O)c2sc3CCCc3c2)C)ccc1Cl	PC-id_9161050	383.292	FYDAGRUGTVRLFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116293
Clc1c(NC(=O)CN(C(=O)c2sc3CCCc3c2)C)c(Cl)ccc1	PC-id_9426698	383.292	ZUEHVNLHFRZOEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116294
Cn1nc2c(c1NC(=O)C[C@H](CN)c1ccc(Br)s1)CCC2	ZINC22_2325768326	383.307	FLJRXQMYEBFQKT-SECBINFHSA-N	00000010100100000001000010000000000000000000000000000000	25-01-116295
Cn1nc2c(c1NC(=O)C[C@@H](CN)c1ccc(Br)s1)CCC2	ZINC22_2325768327	383.307	FLJRXQMYEBFQKT-VIFPVBQESA-N	00000010100100000001000010000000000000000000000000000000	25-01-116296
COc1cc(C(=O)NCc2nnc3n2CCC3)c([N+](=O)[O-])cc1OC(F)F	MCULE-4540477175,EMOLS-id_16800701,CoCoCo_4560549,ZINC22_12792246,PC-id_17540884	383.307	DAAUANMAMYIYTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116297
Clc1c(SCC(=O)Nc2sc3CCCc3c2C#N)cc(Cl)cc1	PC-id_8355964	383.315	ODKINTIHPUQDAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116298
Clc1c(SCC(=O)Nc2sc3CCCc3c2C#N)c(Cl)ccc1	PC-id_7847795	383.315	NCGKAVYFRKGECN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116299
CC1C(=Cc2c1c(nn2Cc1ccccc1)C#N)OS(=O)(=O)C(F)(F)F	PC-id_89208210,SCHEMBL14598301	383.345	PZMNVRMNOITEFW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-116300
N#Cc1nn(c2c1[C@@H](C)C(=C2)OS(=O)(=O)C(F)(F)F)Cc1ccccc1	SCHEMBL13954855	383.345	PZMNVRMNOITEFW-JTQLQIEISA-N	00000011100000110001000010000000000000000000000000000000	25-01-116301
CNC(=O)C1(NC(=O)C(=O)c2n3CCCc3c(c2C)C(=O)O)CC(C1)(F)F	PC-id_139434874,SCHEMBL21296711	383.347	IMBXWUIWLOYCGY-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-116302
CCCC#Cc1c(NC(=O)C(C(F)(F)F)C(F)(F)F)sc2c1CCC2	PC-id_143034915	383.352	NVOQDKFTXIWLHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116303
Cc1c(nc2n1CC(O2)COc1ccc(cc1)C(C)(C)C(F)(F)F)C(=O)N	PC-id_86342439	383.365	DGPCYACHCJPMNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116304
NC(=O)c1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_122367720	383.365	DGPCYACHCJPMNT-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116305
c12CCCc1c(C(=O)OCC)c(NC(=O)c1ccccc1C(F)(F)F)s2	MCULE-1091852489,EMOLS-id_25516108,PC-id_46094975	383.385	MKVMDENBVKRBAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116306
c1(CC(=O)Nc2sc3CCCc3c2C(=O)OCC)c(F)cc(F)cc1F	MCULE-7883329212,EMOLS-id_328124847	383.385	SLEPPMXXWURKRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116307
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_1012042,ZINC22_672852,EMOLS-id_5124964,SPECS-id_AK-968/15252552,CoCoCo_4970423,MCULE-5837547366,TIMTEC583948	383.385	YXCYWGIJYNIHPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116308
CCOC(=O)c1c2c(CCC2)sc1NC(=O)c1ccc(C(F)(F)F)cc1	MCULE-7739162180,CoCoCo_3268290,PC-id_9115652,ZINC22_7986629,EMOLS-id_43827616	383.385	FODKVBLVKTXBDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116309
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C(F)(F)F)SC	PC-id_13687500,SCHEMBL10811953	383.385	AWANWLTWGKXFAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116310
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(cc1)C(F)(F)F)C	PC-id_78464108	383.385	CETHWYLBXWBFHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116311
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1)C(F)(F)F)C	PC-id_78674815	383.385	ZERKZGDLFVBOQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116312
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)C	PC-id_7238875	383.385	CETHWYLBXWBFHX-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-116313
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(cc1)C(F)(F)F)C	PC-id_7238876	383.385	CETHWYLBXWBFHX-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116314
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1)C(F)(F)F)C	PC-id_8359097	383.385	ZERKZGDLFVBOQC-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-116315
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1)C(F)(F)F)C	PC-id_8359100	383.385	ZERKZGDLFVBOQC-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116316
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)Cc1ccc(c(F)c1)F	MCULE-1774051700,EMOLS-id_207863119	383.395	QBAYXZZYJORAAF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116317
COC(=O)C1(CCn2c1ccc2C(=O)c1ccc(cc1)C(=O)CC)C(=O)OC	SCHEMBL11055003,PC-id_20454647	383.395	RJLICPBKZCXVLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116318
COc1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)ccc1O	EMOLS-id_324834557	383.396	VWXOTAAKFPLZJZ-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116319
COc1ccccc1OCc1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324866062	383.396	FZJBSEOOWFGWGF-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116320
COc1ccccc1OCc1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324871168	383.396	MMWCLUHNGDSICH-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116321
COc1ccccc1OCc1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324869133	383.396	WBVBXOLAPHDULO-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116322
COc1cccc(OCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)c1	EMOLS-id_324876288	383.396	UTJOJHHERBWEAG-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116323
COc1cccc(OCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)c1	EMOLS-id_324877314	383.396	FOVSYCNYJFTMGO-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116324
COc1cccc(OCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)c1	EMOLS-id_324875264	383.396	RBXHCXYEWRVHEB-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116325
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)COc1ccccc1OC	MCULE-8207787180	383.396	WBVBXOLAPHDULO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116326
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1ccccc1OC	MCULE-9039568779	383.396	FZJBSEOOWFGWGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116327
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1cccc(OC)c1	MCULE-6116038805	383.396	UTJOJHHERBWEAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116328
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1ccccc1OC	MCULE-9891055810	383.396	MMWCLUHNGDSICH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116329
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1cccc(OC)c1	MCULE-7936093887	383.396	FOVSYCNYJFTMGO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116330
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)COc1cccc(OC)c1	MCULE-5709799989	383.396	RBXHCXYEWRVHEB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116331
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)Cc1ccc(F)cc1	MCULE-8750232948	383.396	VWXOTAAKFPLZJZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116332
COC(=O)c1sc2CNCc2c1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	EMOLS-id_259719844,MCULE-7333436715	383.4	ATZCQYMBLNMAJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116333
COC(=O)c1sc2CNCc2c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	MCULE-9759807997,EMOLS-id_259723161	383.4	UUQMZZMYZYDEBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116334
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(O)cc1	PC-id_40029417	383.4	BGUXZOQKYQKBRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116335
c1(C(F)(F)F)c2CCCc2n(CC(=O)N(CC)Cc2cn(nc2C)CC)n1	ZINC22_20607733,TIMTEC537539,MCULE-4135319034,EMOLS-id_8867717,PC-id_19591103	383.411	WXLYNCGZNHBLMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116336
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC(C)Cn2c(C)cc(C)n2)n1	MCULE-8346147299,TIMTEC91804,EMOLS-id_8867227,PC-id_19590870	383.411	BZZPNKQXTOPWPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116337
Cc1cc(C)n(C[C@@H](C)CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_20607537,PC-id_29092453	383.411	BZZPNKQXTOPWPM-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-116338
Cc1cc(C)n(C[C@H](C)CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1	ZINC22_20607538,PC-id_29092454	383.411	BZZPNKQXTOPWPM-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116339
CCC(C(=O)Nc1cc(C)n(n1)C(C)C)n1nc(c2CCCc12)C(F)(F)F	MCULE-1820517327,EMOLS-id_8867878,PC-id_19591170	383.411	MTRKAWUTCHKZFY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116340
CCC(C(=O)NCC(C)Cn1cccn1)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867191,PC-id_19590853,TIMTEC186812,MCULE-1009586130	383.411	HCIHGYDTZFOJCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116341
CCC(C(=O)NC(C)Cn1ccc(C)n1)n1nc(c2CCCc12)C(F)(F)F	TIMTEC519610,PC-id_19591243,EMOLS-id_8868030,MCULE-1228742947	383.411	WDEXBTLUNVBJMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116342
CC[C@@H](C(=O)Nc1cc(C)n(C(C)C)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607577,PC-id_29092489	383.411	MTRKAWUTCHKZFY-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116343
CC[C@H](C(=O)Nc1cc(C)n(C(C)C)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607579,PC-id_29092490	383.411	MTRKAWUTCHKZFY-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116344
CC[C@@H](C(=O)NC[C@@H](C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092571,ZINC22_20607690	383.411	HCIHGYDTZFOJCB-OCCSQVGLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116345
CC[C@H](C(=O)NC[C@@H](C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092572,ZINC22_20607691	383.411	HCIHGYDTZFOJCB-TZMCWYRMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116346
CC[C@H](C(=O)NC[C@H](C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092574,ZINC22_20607693	383.411	HCIHGYDTZFOJCB-GXTWGEPZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116347
CC[C@@H](C(=O)NC[C@H](C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607692,PC-id_29092573	383.411	HCIHGYDTZFOJCB-JSGCOSHPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116348
CC[C@@H](C(=O)N[C@@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092551,ZINC22_20607664	383.411	WDEXBTLUNVBJMB-JSGCOSHPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116349
CC[C@H](C(=O)N[C@@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092552,ZINC22_20607665	383.411	WDEXBTLUNVBJMB-GXTWGEPZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116350
CC[C@@H](C(=O)N[C@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607666,PC-id_29092553	383.411	WDEXBTLUNVBJMB-OCCSQVGLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116351
CC[C@H](C(=O)N[C@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607667,PC-id_29092554	383.411	WDEXBTLUNVBJMB-TZMCWYRMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116352
CCCn1nc(C)cc1NC(=O)C(CC)n1nc(c2CCCc12)C(F)(F)F	MCULE-9403785819,EMOLS-id_8867527,PC-id_19591012	383.411	YNTCTWMZSJKJKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116353
CCCn1nc(C)cc1NC(=O)[C@H](CC)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092599,ZINC22_20607739	383.411	YNTCTWMZSJKJKU-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116354
O=C(c1cccnc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2916818,PC-id_68440070	383.424	RXAOVJICNUSJFH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116396
CCCn1nc(C)cc1NC(=O)[C@@H](CC)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607738,PC-id_29092598	383.411	YNTCTWMZSJKJKU-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116355
s1c2CCCc2c(c1NC(=O)CSc1ncc(cc1)C(F)(F)F)C#N	PC-id_29656141	383.411	JTOATNLWCYIWSS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116356
c1(NC(=O)Cn2c(C)cc(C(F)F)n2)sc2c(CCC2)c1C(=O)OCC	MCULE-2711347178,PC-id_19578540,ZINC22_2758568,CoCoCo_6617600,EMOLS-id_8837504	383.413	GOHREQBLJCDEDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116357
Cc1ccc(CCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324904463	383.414	JKUCEIJFINOZKB-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116358
Cc1ccc(CCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324903951	383.414	NSFJSJCHBQZQHB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116359
Cc1ccc(CCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1	EMOLS-id_324909060	383.414	FZBJFAQXFPDVNW-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116360
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)CCc1ccc(cc1)C	MCULE-8293850808	383.414	JKUCEIJFINOZKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116361
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)CCc1ccc(cc1)C	MCULE-3831087406	383.414	NSFJSJCHBQZQHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116362
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CCc1ccc(cc1)C	MCULE-9878746631	383.414	FZBJFAQXFPDVNW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116363
c1(CN(Cc2ccco2)C(=O)COc2ccccc2F)c2CCCc2n(C)n1	PC-id_86266519,EMOLS-id_50145212,MCULE-4262740066	383.416	UTLNAZIHRXGZNN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-116364
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C)C(=O)Nc1cc(ccc1)F	SCHEMBL19920825,PC-id_134303099	383.416	SWJKDRLUSNURAJ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-116365
COc1ccc(cc1F)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109540	383.416	QTBRTKKZCXSFTG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-116366
Fc1ccc(cc1)OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109396	383.416	KASOOBSBQUJKLM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-116367
CCCc1cc(nn1CC(=O)N1Cc2c(C1)nc(o2)C)c1ccc(c(n1)C)F	PC-id_89608253,SCHEMBL15002349	383.419	WDMJXVRDQOWBFN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-116368
CCOC(=O)c1c(NC(=O)COC(=O)CCNC(=O)N)sc2c1CCC2	ZINC22_5938702,PC-id_4843751,EMOLS-id_3383143,MCULE-9721395893,CoCoCo_3919985	383.419	FKGCKZSIMPUNSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116369
c12c(CCC1C(=O)OCC)sc(NC(=O)c1oc(c3ccccc3)cn1)n2	PC-id_76145329,MCULE-6546597269,EMOLS-id_50124354	383.421	RLCXGOWBEAPHTF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116370
C1C(Sc2nc(cn12)[N+](=O)[O-])COCc1ccc(cc1)Oc1ccccc1	PC-id_137645953	383.421	SCZSMGGBTCESBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116371
c1(NC(=O)c2onc(c3ccc(cc3)C)n2)sc2c(CCC2)c1C(=O)OC	PC-id_19615440,ZINC22_36612514,EMOLS-id_8870847,MCULE-6774655885	383.421	NJNMRXYAMKLFHH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116372
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COc1ccc(cc1)Oc1ccccc1	PC-id_137648594	383.421	HDVKTEZLHDJYRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116373
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ncc(c4ccccc4)o3)nc12	ZINC22_206586636,PC-id_99872352	383.421	RLCXGOWBEAPHTF-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116374
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ncc(c4ccccc4)o3)nc12	ZINC22_206586679,PC-id_99872353	383.421	RLCXGOWBEAPHTF-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116375
[O-][N+](=O)c1nc2n(c1)CC(S2)COc1ccc(cc1)OCc1ccccc1	PC-id_146001184	383.421	UMQYTORJPDLQSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116376
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C#N)C(=O)NC(=O)OCC	PC-id_7521526	383.421	AEOGZLIATVVZMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116377
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(ccc1)C#N)C)C(=O)N	PC-id_8458971	383.421	OUOGSPOTMHOZSB-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-116378
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(ccc1)C#N)C)C(=O)N	PC-id_8458976	383.421	OUOGSPOTMHOZSB-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116379
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(ccc1)C#N)C)C(=O)N	PC-id_78702547	383.421	OUOGSPOTMHOZSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116380
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(NC(=O)C)cc1)C#N	PC-id_7949748	383.421	BMMYLWUEJDKPNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116381
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(NC(=O)C)ccc1)C#N	PC-id_8821027	383.421	WCLTZVKOMZEWJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116382
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccccc1)C#N	PC-id_1662499	383.421	XSGKMFLAGZUHAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116383
c1(NC(=O)NCc2nnc3CCCn23)n(C)nc(CC)c1c1ccc(cc1)F	EMOLS-id_49161216,MCULE-7915494224,ZINC22_96150478,PC-id_72891328	383.423	WEHQXXJEIWGVIR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116384
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccccn1	PC-id_141251714	383.424	VUNFJSXGZBXYDI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116385
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1cccnc1	PC-id_141251718	383.424	KXGKTGIBQUDZGK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116386
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccncc1	PC-id_141251736	383.424	SOZNUKQHRPHSNZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116387
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)c1ccccn1)CNC2	PC-id_68443250,SCHEMBL2925443	383.424	VTNNXADEXBODBZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116388
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)c1cccnc1)CNC2	SCHEMBL2917650,PC-id_68440379	383.424	VQFOBDWCIPFISV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116389
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)c1ccncc1)CNC2	SCHEMBL2913557,PC-id_68438798	383.424	MEBDQGUJKXOQGO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116390
O=C(c1ccc(cc1)c1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)N	SCHEMBL2920898,PC-id_68441431	383.424	YKJHJXCJBSNPLN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116391
O=C(c1ccccc1N)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL4285751,PC-id_68987052	383.424	NRDGSJBSNUAZBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116392
O=C(c1ccccn1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2925446,PC-id_68443251	383.424	FVHDYRZEGJPJOB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116393
O=C(c1ccccn1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68441208,SCHEMBL2920183	383.424	TYSMDOUHSWGORA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116394
O=C(c1cccnc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2917653,PC-id_68440381	383.424	LECHACZRASCWIE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116395
O=C(c1ccncc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68438801,SCHEMBL2913564	383.424	BRMYYKGLJKYRGP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116397
O=C(c1ccncc1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2913561,PC-id_68438800	383.424	UANDCTVPVGMYQL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116398
O=C(N1Cc2c(C1)cn[nH]2)NCc1ccc(cn1)S(=O)(=O)c1ccccc1	PC-id_118160933,SCHEMBL16820391	383.424	FSCMWQLTSRZMOG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116399
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)c1n[nH]c2CCCc12	EMOLS-id_335148717,MCULE-3632492148	383.424	WGLSKMQKXCHNAE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-116400
s1c2CCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccncc1	PC-id_41468854	383.424	RKWMPDQOBJYSOY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-116401
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccccc1)C(=O)OC	PC-id_16508129	383.424	MBUWIYUUPZOCFQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116402
s1c2CCC(c2nc1NC(=O)c1nn(nc1)c1ccccc1)C(=O)OCC	PC-id_49712019	383.424	CHELAKIDNRDWST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116403
OC(S1n2cncc2N=C1C(F)(F)F)CC1CCC(C1)c1ccccc1	SCHEMBL20743371	383.431	XWOYXELXCBUEHH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116404
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(SC(F)F)cc1	MCULE-1616781295,ZINC22_4462443,EMOLS-id_13787705,CoCoCo_2840927,PC-id_4332003	383.433	PLCWUUPUKASFQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116405
s1c2CCCc2cc1C(=O)NNC(=S)Nc1ccc(OC(F)F)cc1	PC-id_8660006	383.436	SDHFAQSCUBBBJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116406
Cc1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c(F)c1	ZINC22_48340599,PC-id_52298069	383.439	VJTOEAMTKXEQRH-GFCCVEGCSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116407
Cc1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c(F)c1	ZINC22_48340600,PC-id_52298070	383.439	VJTOEAMTKXEQRH-LBPRGKRZSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116408
N#Cc1c(NC(=O)C2CC(=O)N(C2)c2ccc(cc2F)C)sc2c1CCC2	EMOLS-id_30726831,MCULE-5035531235,PC-id_47026189	383.439	VJTOEAMTKXEQRH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116409
CCOC(=O)C(CC(=O)N)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9281605411,EMOLS-id_328213111	383.441	ACMUMRMWCXFEPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116410
O(C(=O)C1NC(c2c1c[nH]c2Oc1ccc(cc1)C#N)CC(O)C)C(C)(C)C	PC-id_10134565	383.441	ISIZSJMVQPTAPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116411
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN1CCSC1=O)C(=O)N	PC-id_7632122	383.443	UMJUGJYELPWBEG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116412
c12CN(Cc1cnn2CCO)C(=O)Nc1ccc(cc1C)C(=O)N1CCCC1	EMOLS-id_49664024,ZINC22_97637849,PC-id_74242416,MCULE-1280205573	383.444	MZGCONGYCAAVQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116413
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)Nc1ccc(cc1)OCC	MCULE-6481804563,EMOLS-id_207863022	383.444	ZEQSKUBPWDLPDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116414
CCC1c2c(N)n(nc2C(N1C(=O)NC1CC1c1ccccc1)(C)C)C(=O)O	PC-id_70871980,SCHEMBL13275800	383.444	RZRNSPBRYSSAAH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-116415
CCC1c2c(N)n(nc2C(N1C(=O)N[C@@H]1C[C@H]1c1ccccc1)(C)C)C(=O)O	PC-id_67008110,SCHEMBL1368702	383.444	RZRNSPBRYSSAAH-WLDKUNSKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-116416
CCCCNC(=O)N1Cc2c(C1)n(nc2N(c1ccccc1)C=O)C(=O)CC	PC-id_141257320	383.444	YQSUYYKCDUWUKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116417
CC(C)N1[C@@H]([C@H](OCC1=O)C(=O)NCc1nnc2CCCn12)c1ccccc1	MCULE-5548834203,ZINC22_1529180542,PC-id_134710692,EMOLS-id_316210938	383.444	JXWGQGUCPDPXNX-MOPGFXCFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116418
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)NC1CC1c1ccccc1)N	PC-id_89796605,SCHEMBL1204745	383.444	RRUOSKBPJFMOQF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-116419
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	SCHEMBL12143684,PC-id_59474209	383.444	RRUOSKBPJFMOQF-AFYYWNPRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-116420
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL1204748,PC-id_58015642	383.444	RRUOSKBPJFMOQF-DZGCQCFKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-116421
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247501	383.444	RRUOSKBPJFMOQF-HIFRSBDPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-116422
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)N1CCCCC1	PC-id_68442095,SCHEMBL2922698	383.444	ASJRBDVBMSSGGH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116423
CN(C(=O)c1ccc(nc1)OC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	MCULE-9296967318,EMOLS-id_320103538	383.444	ZUMSMMPWTRTUHE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116424
n1c(CNC(=O)Nc2ccc(cc2)C(=O)NCC2CCCO2)c2c(CCC2)[nH]1	EMOLS-id_48644660,PC-id_72920272,MCULE-2132936859	383.444	DSAFSJXHXHIQII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116425
O[C@@H]1CC[C@@H](C[C@H]1NC(=O)c1ccccn1)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_337659320,ZINC22_2100473700	383.444	VUTZPFHIUNGKQD-BJOOFOGMSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116426
O=C(N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)CC)NCCCC	PC-id_54767475	383.444	UFAPPDBZXJFYKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116427
O=C(NCc1n[nH]c2c1CCC2)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1	PC-id_97282986,ZINC22_95525200	383.444	DSAFSJXHXHIQII-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116428
O=C(NCc1n[nH]c2c1CCC2)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1	ZINC22_95525199,PC-id_97282985	383.444	DSAFSJXHXHIQII-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116429
O=C(c1cc2n(n1)CCO2)N1CCN(CC1)S(=O)(=O)c1csc(n1)C	EMOLS-id_257913190,MCULE-5194249338	383.446	KNOXAIBWDVHZFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116430
C[C@@H]1N[C@H](C)CN(C1)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL6377555,PC-id_59508139	383.447	BRKPUEGCARIPPD-FUNVUKJBSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116431
CN=C(NC1CC(=O)N(C1)c1cccc(c1)OC)NCc1nnc2n1CCC2	PC-id_119150436	383.447	CGKCLKROSFOTHH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116432
s1c2CCCc2c(c1NC(=O)CSc1oc(nn1)c1cccnc1)C#N	PC-id_7879149	383.447	PWEOQUYIUKCXQK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-116433
COC(=O)c1c(NC(=O)CSc2nnc(n2N)NN)sc2c1CCC2	GD-id_ZINC20922434	383.449	XNLDDVLPUAMFEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116434
CC(C)C1=Nn2c(nc(n2)C(C)CNS(=O)O)C1=NNc1ncns1	PC-id_89330948	383.452	VYRRFDOPXTVZIY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-116435
Ic1c(NC(=O)COC(=O)c2sc3CCCc3c2)cccc1	PC-id_18289416	427.257	XQYFYMUMUAQUKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134809
c1(sc2c(CCC2)c1C(=O)OCCC)NS(=O)(=O)c1ccc(cc1)F	TIMTEC128280,PC-id_3603087,ZINC22_2762082,CoCoCo_5830510,MCULE-2824530293,EMOLS-id_4061049	383.458	DOUAKBSRWKOBFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116436
c1(NC(=O)CCCNS(=O)(=O)c2ccc(cc2)F)sc2c(CCC2)n1	EMOLS-id_323456332,MCULE-6532482809	383.461	NGZWSZBTZWORDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116437
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1Cc1ccco1	EMOLS-id_3424255,MCULE-4767640162,PC-id_3446105,CoCoCo_2840803,ZINC22_6508245	383.461	GNLBMWWBNQVVKU-UHFFFAOYSA-N	00000010111000000000000010000000000000000000000000000000	25-01-116438
C=CCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)CC=C	SCHEMBL11501294,PC-id_70599853	383.461	BNICZZQRUOKHCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116439
C=CCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)CC=C	SCHEMBL11501295,PC-id_70599854	383.461	DTQAIRUOPZGKLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116440
Cc1c(C(=O)Nc2c(C#N)c3c(CCC3)s2)sc(c2ccc(F)cc2)n1	EMOLS-id_182615710,MCULE-7363535251,PC-id_108801124	383.462	ZQYKWZJWMFQQQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116441
CSc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324837119	383.462	WXILUTBHGPGYSE-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116442
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)Cc1ccc(F)cc1	MCULE-1521266901	383.462	WXILUTBHGPGYSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116443
c1(NC(=O)c2cccc(c2)C#N)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334393107,MCULE-6986421668	383.464	SKMWFZHYJQUPCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116444
c1(NC(=O)CN(c2ccccc2)CC(=O)OCC)sc2c(CCC2)c1C#N	EMOLS-id_324872333,MCULE-6931070842	383.464	MANQQBHPLHULHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116445
c1(NC(=O)COc2cccc(c2)NC(=O)CCC)sc2c(CCC2)c1C#N	MCULE-2004203028,EMOLS-id_323190294	383.464	FIWQGIBBRQMVIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116446
c1(NC(=O)COc2cccc(c2)NC(=O)C(C)C)sc2c(CCC2)c1C#N	MCULE-3713167835,EMOLS-id_323196703	383.464	ZXAROVLSEVMTAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116447
c1(NC(=O)COc2ccc(cc2)NC(=O)C(C)C)sc2c(CCC2)c1C#N	MCULE-6702152689,EMOLS-id_323192783	383.464	DNENBAOTYBUTCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116448
c1(NC(=O)COc2ccc(cc2)NC(=O)CCC)sc2c(CCC2)c1C#N	MCULE-8542003281,EMOLS-id_323185352	383.464	FYWKZJOBVBVFFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116449
c1(NC(=O)NN=CC=Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_73549957,MCULE-4258733380	383.464	NFHRZFDKFOYLAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116450
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCC3)C1=O	PC-id_41022993,ZINC22_9336888,CoCoCo_4276636	383.464	GGOIAEAJIPFCPB-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116451
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCC3)C1=O	ZINC22_9336889,CoCoCo_4276637,PC-id_41022994	383.464	GGOIAEAJIPFCPB-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116452
Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc3c(s2)CCC3)cc1	PC-id_30796764,ZINC22_23040842,CoCoCo_4164234,MCULE-3096095681,EMOLS-id_29639019	383.464	ZXDNWIRVBFCJPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116453
CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328239146,MCULE-5589948896	383.464	AODCRGDIHIBNTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116454
s1cc(nc1C)COc1ccc(C(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_46458161	383.467	FXTKEWLTUKPLDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116474
CC(C)(NC(=O)OCc1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-9932082944,EMOLS-id_327976700	383.464	UFVVEYCRKVLRAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116455
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCN1C(=O)CSC1=O	MCULE-1081905064,EMOLS-id_328213881	383.464	OINWKFNWSGZTOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116456
O=C(c1sc2c(c1)CCC2)NN1C(=O)NC(C1=O)(C)CCc1ccccc1	MCULE-5842970767,EMOLS-id_11867425,PC-id_16390793	383.464	GGOIAEAJIPFCPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116457
O=C(Nc1sc2c(c1C(=O)NC(=O)N(C)C)CCC2)C=Cc1ccccc1	PC-id_92046516	383.464	VHFVBLLKVVEVEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116458
s1c2CCCc2cc1C(=O)NNC(=O)Cc1ccc(N2CCCC2=O)cc1	PC-id_27684745	383.464	NPSZDENSGXVSEQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116459
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(n(C2CC2)c(c1)C)C)C#N	PC-id_8672586	383.464	XHTWKOTYWRVZAT-UHFFFAOYSA-N	00100010110000000000100010000000000000000000000000000000	25-01-116460
s1c2c(CCC2)c(c1NC(=O)NN=C/C=C/c1ccccc1)C(=O)OCC	PC-id_19168809	383.464	NFHRZFDKFOYLAK-YFUFRYBISA-N	00000010100000110000000010000000000000000000000000000000	25-01-116461
s1c2CCCc2nc1C(=O)c1ccc(NC(=O)NCCC(=O)C(=C)C)cc1	PC-id_22887419	383.464	VYEFLXCXLKEISS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116462
O=C(N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)CN1CCOCC1	EMOLS-id_100184364	383.466	SJCPKLVKCAAZMK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116463
c12SCCn1cc(CNC(=O)c1cc(on1)CN(C)Cc1ccccc1)n2	CoCoCo_1329416,PC-id_25285739,EMOLS-id_20540159,MCULE-4504754431,CoCoCo_1329415,ZINC22_12445333	383.467	WGMWHIIPNFXCJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116464
C1COCCN1CC(=O)Nc1cc2=NC(=C(c3ccccc3N)N)C=c2s1	PC-id_90077470	383.467	UDTCMXWGKIREJG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116465
c1(NC(=O)CCCc2onc(c3cccc(C)c3)n2)n(C)nc2CSCc12	PC-id_134701115,EMOLS-id_316208565,MCULE-8803791677,ZINC22_1529125010	383.467	DGWJVNDFGIHWTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116466
Cc1ccc(cc1)OCc1scc(n1)C(=O)NC(c1nnc2n1CCC2)C	MCULE-9724280169,PC-id_51114982,EMOLS-id_31936144	383.467	PNBQEDILRFPIDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116467
Cc1ccc(OCc2nc(C(=O)N[C@@H](C)c3nnc4n3CCC4)cs2)cc1	PC-id_52178315,ZINC22_42536391	383.467	PNBQEDILRFPIDU-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116468
Cc1ccc(OCc2nc(C(=O)N[C@H](C)c3nnc4n3CCC4)cs2)cc1	ZINC22_42536394,PC-id_52178316	383.467	PNBQEDILRFPIDU-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116469
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1nc(cs1)C1CC=C(C=C1)C	SCHEMBL13575172,PC-id_89121780	383.467	HILXEHMAEMDNMA-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-116470
Cc1nn(CC(=O)NCCc2nc3CCCc3s2)c(=O)n1c1ccccc1	EMOLS-id_43574879,MCULE-9433908458,ZINC22_77391525,PC-id_70738223	383.467	PWINCTGPZGPUGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116471
CCOc1ccccc1c1nc(CC(=O)NCc2nnc3n2CCC3)cs1	ZINC22_32889132,CoCoCo_4560557,EMOLS-id_24994565,PC-id_40124269,MCULE-1778971645	383.467	QXYJERABRDMLNY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116472
CN(Cc1cc(c2cccnc2)no1)C(=O)NCCc1nc2c(s1)CCC2	ZINC22_584899193,EMOLS-id_177473869,MCULE-2145910150	383.467	SGBSTOZFZANUQM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-116473
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(SC(F)F)cccc1	PC-id_7484000	383.479	YQACRONPNSALNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116475
CCCCc1cc2n(c1C(=O)c1ccccc1OC)CCC2C(=O)OC(C)C	PC-id_20351580,SCHEMBL11602535	383.481	ZPUQVMHRLKBISF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116476
s1c2c(CCC2)c(c1NC(=O)CCN(C1CC1)Cc1ccc(F)cc1)C#N	PC-id_55482464	383.482	TZBRIORSTFJIRZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-116477
S1(=O)(=O)C[C@H](N(C2CC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_8095839	383.482	MGEIURCWNAIHBG-CYBMUJFWSA-N	00100010100000000000000010000000000000000000000000000000	25-01-116478
S1(=O)(=O)C[C@@H](N(C2CC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_8095840	383.482	MGEIURCWNAIHBG-ZDUSSCGKSA-N	00100010100000000000000010000000000000000000000000000000	25-01-116479
S1(=O)(=O)CC(N(C2CC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_78604575	383.482	MGEIURCWNAIHBG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-116480
c1(CN(C)C(=O)C2(CCCC2)c2ccc(c(OC)c2)OC)c2CCCc2[nH]n1	PC-id_119068519,ZINC22_426547659,EMOLS-id_82726495,MCULE-7164935669	383.484	SGIATAFNDXKEBV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116481
CC(C)(C)OC(=O)NCCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7560124755,EMOLS-id_328215666	383.484	MBHNYBXPYUHMRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116482
COc1cc(ccc1OC)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109764	383.484	OMLFAVKDPNQWTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116483
COc1ccccc1OCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109799	383.484	SYWBTEMAZJGPJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116484
COc1cccc(c1)OCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109800	383.484	YYPFMOACVNEOGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116485
COc1ccc(cc1)OCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109801	383.484	ZQZXYCMUJUPAOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116486
COc1cc(OC)ccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109763	383.484	PWIYRGAZANNIFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116487
COc1cc(OC)cc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109766	383.484	YROUGGQSNRHLSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116488
COc1c(OC)cccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109765	383.484	GMJROSDRRYXVOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116489
C1Cc2c(C1)sc(c2C(=O)N)NCC(C=O)SC1CC(NC1)C(=O)O	SCHEMBL3715468,PC-id_87563130	383.486	WTNOLGQCIRTGLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116490
c1(sc2c(CCC2)c1C(=O)OC)N=C(SCC(=O)N)N1CCOCC1	PC-id_51861622,MCULE-9184646131	383.486	NNJUYSYEASTOKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116491
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)SC1CNC(C1)C(=O)O	PC-id_46893669,SCHEMBL3392849	383.486	AGKHJTSNJDVJQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116492
COC(=O)c1c2CCCc2sc1/N=C(/SCC(=O)N)N1CCOCC1	EMOLS-id_45950538,CoCoCo_6964807,SPECS-id_AO-476/43417041,PC-id_44216478,ZINC22_36646054	383.486	NNJUYSYEASTOKN-FBMGVBCBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116493
COC(=O)c1c(/N=C(/N2CCOCC2)SCC(=O)N)sc2c1CCC2	PC-id_56687684,CoCoCo_6964808	383.486	NNJUYSYEASTOKN-VLGSPTGOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116494
s1c2c(CCC2)c(c1NC(=O)CSC1NCCC(=O)N1)C(=O)OCC	PC-id_84937592	383.486	WAUXMTRMWOILBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116495
c12c(CCC1C(=O)NCc1cccs1)sc(NC(=O)c1ccccc1)n2	EMOLS-id_12346191,PC-id_16947065,MCULE-6277519695	383.487	GOOVUIFPFTZZNV-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-116496
c1(C(=O)NCCCN2CCCCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316326192,MCULE-3684058475	383.487	ZEKSJEWQSODDHI-IBGZPJMESA-N	00000010100000101101000010000000000000000000000000000000	25-01-116497
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCc1cccnc1	CoCoCo_584492,ZINC22_4855778,MCULE-9077490324,PC-id_2988627,TIMTEC180576,EMOLS-id_2273901	383.487	GVGIQMKLTCPJQC-UHFFFAOYSA-N	00000010100100101000000010000000000000000000000000000000	25-01-116498
Cc1sc(c2ccccc2C(=O)N)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1821943,PC-id_53387836	383.487	ZCJPOELSNPEHQF-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-116499
CC(C)Oc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324833521	383.487	NHRLLUMPMHEIQL-YBEGLDIGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-116500
CCCOc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324836592	383.487	AHNUMQDFKPTNAE-WJDWOHSUSA-N	00000000100100110001000010000000000000000000000000000000	25-01-116501
CC(=O)Nc1ccc(c2csc(NC(=O)c3cc4c(s3)CCC4)n2)cc1	PC-id_75412723,ZINC22_15991576,MCULE-5221961678,EMOLS-id_48766738	383.487	RTKJFZFDNHIOGA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116502
CN(C)CCOc1ccccc1N1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_265725834,EMOLS-id_320344620,PC-id_139002878,MCULE-8449902612	383.487	OMIXLTNUDKIJBH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116503
COCCN1CC(C(C1)c1ccccc1)NC(=O)Nc1n(C)nc2c1CCC2	SCHEMBL16780310,PC-id_77866959	383.487	HBNCBXSYFYOFFX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116504
COCCN1C[C@H](C(C1)c1ccccc1)NC(=O)Nc1n(C)nc2c1CCC2	SCHEMBL13975189,PC-id_71041376	383.487	HBNCBXSYFYOFFX-WHCXFUJUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116505
COCCN1C[C@@H]([C@H](C1)c1ccccc1)NC(=O)Nc1n(C)nc2c1CCC2	SCHEMBL16780307,PC-id_118128639	383.487	HBNCBXSYFYOFFX-MJGOQNOKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116506
COCCN1C[C@@H](NC(=O)Nc2c3CCCc3nn2C)[C@@H](C1)c1ccccc1	BindingDB-id_796493,PC-id_71471164,SCHEMBL16780312	383.487	HBNCBXSYFYOFFX-PKOBYXMFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116507
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)Cc1cccs1	MCULE-3905758978	383.487	AHNUMQDFKPTNAE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-116508
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)Cc1cccs1	MCULE-9500076654	383.487	NHRLLUMPMHEIQL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-116509
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cn1cnc(c(c1=O)C)C	PC-id_92109887	383.487	YAFGDSPUNGBIFF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-116510
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1cccs1)c1ccccc1	CoCoCo_5124696,PC-id_40945179,ZINC22_9131222	383.487	GOOVUIFPFTZZNV-CQSZACIVSA-N	00000010100100110001000010000000000000000000000000000000	25-01-116511
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1cccs1)c1ccccc1	ZINC22_9131221,CoCoCo_5124697,PC-id_40945178	383.487	GOOVUIFPFTZZNV-AWEZNQCLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-116512
O=C(Nc1scc(n1)c1ccccc1)CNC(=O)c1sc2c(c1)CCC2	PC-id_139370770,SCHEMBL21224265	383.487	KUCTWNFCVDJPBP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116513
s1c2CCCc2cc1C(=O)NNC(=O)c1sc(nc1c1ccccc1)C	PC-id_24502907	383.487	XAUKBMHSJYXUJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116514
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(O)cccc1)C#N	PC-id_2654855	383.487	MANOSTHVTANTTL-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-116515
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(cc1)C)C)C#N	PC-id_8729699	383.487	BWWRRWHDRJZALK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-116516
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1ccc(OC)cc1)C#N	PC-id_4955495	383.487	CUSRMLLKTODSEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116517
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/c1ccc(OC)cc1)C#N	PC-id_6235290	383.487	CUSRMLLKTODSEK-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116518
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1c(OC)cccc1)C#N	PC-id_4955505	383.487	ZZAXWAMMWVYAAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116519
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/c1c(OC)cccc1)C#N	PC-id_6235295	383.487	ZZAXWAMMWVYAAC-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116520
N#Cc1c(NC(=O)C(N2CCN(CC2)S(=O)(=O)N)C)sc2c1CCC2	EMOLS-id_110851530	383.489	NSUABUUTOGQICB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116521
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cc4n(n3)CCC4)C2)c1C	PC-id_146111971,ZINC22_1875397232,EMOLS-id_323987414,MCULE-8986132737	383.491	RBYABRQQAVMZNU-OAHLLOKOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-116522
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnc4n3CCC4)C2)c1C	EMOLS-id_323986390,ZINC22_1875397243,MCULE-5764136043,PC-id_146111969	383.491	RJCLXBZVZIFYKJ-OAHLLOKOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-116523
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3CCn4c(C)cnc34)C2)c1C	ZINC22_1875397596	383.491	GTFCLYAQRFBIBP-CVEARBPZSA-N	00000010100000100001100010000000000000000000000000000000	25-01-116524
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H]3CCn4c(C)cnc34)C2)c1C	ZINC22_1875397597	383.491	GTFCLYAQRFBIBP-HZPDHXFCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-116525
C[C@H]1NC[C@@H](N(C1)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(n1)C)C	PC-id_143732560	383.491	VDJCEFCEAUAUIW-KGLIPLIRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116526
CCN1CCN(c2ccccc2NC(=O)NCCc2nnc3n2CCC3)CC1	PC-id_72113722,ZINC22_72306214,MCULE-2343106031,EMOLS-id_42915938	383.491	ZDZGLKHZQBAEPV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116527
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ccccc1OC	PC-id_111133347	383.491	UZCCQPQIYQTZDD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116528
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ccc(cc1)OC	PC-id_111242427	383.491	AAPTWCVVXPIGPH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116529
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1cccc(c1)OC	PC-id_111290355	383.491	SUTZOEUTUIGVCU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116530
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ccccc1OC	PC-id_109707841	383.491	ZRQWACCRFFSVRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116531
CCNC(=NCc1nnc2n1CCC2)NCCc1cccc(c1)C(=O)N(C)C	PC-id_111667918	383.491	NROYPPLMQYHZKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116532
CN=C(NCc1nnc2n1CCC2)NCc1ccccc1CN1CCOCC1	PC-id_111020479	383.491	NACMVNCBHIJHIB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116533
CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3c4c(nn3C)CCC4)C2)n1	ZINC22_1857527139,EMOLS-id_323977942,PC-id_146111716,MCULE-6304661116	383.491	LAJINJRYRWCCIT-CQSZACIVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-116534
CN(C(=O)c1nc(N2CC[C@H](C2)NC2CCn3c2ncc3C)c(c(n1)C)C)C	EMOLS-id_324004050,PC-id_146112360,MCULE-2289726864	383.491	GTFCLYAQRFBIBP-AAFJCEBUSA-N	00000010100000100001100010000000000000000000000000000000	25-01-116535
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1ncccn1)C#N	PC-id_30100405	383.491	VLAPVBHEAFYCHZ-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-116536
C1(CCCC1)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-5864487305,EMOLS-id_328207900	383.504	WXDQFJXCGPQSCF-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116537
c1(ccccc1C1CCCC1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8233328240,EMOLS-id_328264237	383.504	XIFUBOIMNIBUJK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116538
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_1567571,MCULE-2727031434	383.504	IAXARBRITJAJJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116539
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)C(C)C)sc2c1CCC2	CoCoCo_674758,ZINC22_13532397,EMOLS-id_26279451,STOCK2S-57341	383.504	IAXARBRITJAJJX-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116540
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)C)sc2CCCc12	CoCoCo_674757,ChEMBL-DNDi_CHEMBL1889-2881,ZINC22_1776653,PC-id_1567572,CHEMBL1412375,EMOLS-id_25871492,ChemDIV1889-2881,TIMTEC208810	383.504	IAXARBRITJAJJX-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116541
COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCC2	ZINC22_5903513,PC-id_6082211	383.504	DCQFSTMAJROBOF-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116542
CSc1cc2n(c1C(=O)c1ccc(C3CCCCC3)cc1)CCC2C(=O)O	SCHEMBL10810528,PC-id_13687510,CHEMBL277145	383.504	QOJGSNNOXJGJHG-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-116543
O=C(C1C(C1(C)C)(C)C)Nc1sc2c(c1C(=O)c1ccccc1)C(OC2)C	SCHEMBL2163620,PC-id_24772346	383.504	UZRUMRDHXYGGSD-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-116544
O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc2c(s1)CCC2	ZINC22_3437345,PC-id_2557192,EMOLS-id_3392251,CoCoCo_2840953,MCULE-5068670378	383.504	XMEPAIBJOPZTJI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-116545
s1c2c(CCC2)c(c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_4369962	383.504	DCQFSTMAJROBOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116546
COC(=O)c1c(NS(=O)(=O)c2ccc(SC)cc2)sc2c1CCC2	ZINC22_408629774	383.505	HSGGLMMZFBBKML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116547
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCN(CC1)C	EMOLS-id_1341472,PC-id_1367831,BAS-01533143,ZINC22_55464505,MCULE-1275451613,CoCoCo_203784	383.507	NNTUJGLWUGDPQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116548
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCN(CC1)C	EMOLS-id_2109729,CoCoCo_706554,ZINC22_55451957,PC-id_1365272,MCULE-9816265275	383.507	OQODFMFPJDCROU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116549
c1(c2CCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1cccc(C)c1	TIMTEC422692,PC-id_3735175,MCULE-8653926945,CoCoCo_6724286,ZINC22_4554482,EMOLS-id_2785856	383.507	RFEFQJXSMNBRNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116550
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCC(CC1)Cc1ccccc1	EMOLS-id_4738014,ZINC22_6669779,PC-id_8034909,STOCK6S-08902,CHEMBL4585446,MCULE-3751340657,CoCoCo_6533764	383.507	RAHZRJNXCDMHCO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-116551
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)CCCC)C1	EMOLS-id_334659798,MCULE-8166703532	383.507	ZDNQFQAZSMBBGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116552
Cc1ccc(CN2CC(CC2=O)C(=O)NCCc2nc3CCCc3s2)cc1	EMOLS-id_31604163,PC-id_46984324,MCULE-2490419018	383.507	KZYYEASFCZICPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116553
Cc1ccc(CN2C[C@H](C(=O)NCCc3nc4c(s3)CCC4)CC2=O)cc1	PC-id_52379754,ZINC22_55071266	383.507	KZYYEASFCZICPL-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116554
Cc1ccc(CN2C[C@@H](C(=O)NCCc3nc4c(s3)CCC4)CC2=O)cc1	ZINC22_55071273,PC-id_52379755	383.507	KZYYEASFCZICPL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116555
CCc1cccc(CC)c1N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	MCULE-5784129848,EMOLS-id_334660310	383.507	NKFQGRJRHQPCRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116556
C[C@H]1CCCN1C(=O)c1cc(c2n1CCS2)C(=O)N[C@@H](c1ccccc1)C	SCHEMBL18432440	383.507	SJXBILTXNMFRMD-LSDHHAIUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116557
CCOc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324902916	383.507	NLGMJWODWKSMKJ-JXAWBTAJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116558
CCOc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324905480	383.507	SZMLHXBWRYBAID-JXAWBTAJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116559
CC(=O)N1CCN(CC1)Cc1ccccc1NC(=O)c1cc2c(s1)CCC2	EMOLS-id_101031715	383.507	DXIOQBNMHJPWNQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116560
CN(C1CCN(CC1)C(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1)C	PC-id_97524477	383.507	HESBXEXVFLDTSY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-116561
COc1ccc(C)cc1CN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_4467992,PC-id_25471507,EMOLS-id_18820031,CoCoCo_4467991,MCULE-8776030874,ZINC22_12737553	383.507	DTTYNSCXBGQLMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116562
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCC1CCCCC1	MCULE-9684619788	383.507	SZMLHXBWRYBAID-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116563
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)CCC1CCCCC1	MCULE-9580545824	383.507	NLGMJWODWKSMKJ-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116564
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)NC(=O)N1CCCCCC1	EMOLS-id_99053807	383.507	RCIPRQKKWRPPRA-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-116565
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)NCc1ccccc1	PC-id_37280777,CoCoCo_4639410,MCULE-7221496779,EMOLS-id_23962397,ZINC22_29986302	383.507	GZWKXXZQOPAFIS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116566
s1c2c(CCC2)c(c1NC(=O)CCN(C1CCCC1)Cc1occc1)C#N	PC-id_47808526	383.507	WXBWDKSKQASDAO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-116567
s1c2CCCc2c(c1NC(=O)CCN(CCCOc1ccccc1)C)C#N	PC-id_37119120	383.507	VAMZVUIABLGDAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116568
s1c2CCCc2c(c1NC(=O)CCN(CCOc1c(cccc1)C)C)C#N	PC-id_24595057	383.507	ZWTXSAWMEOOLFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116569
s1c2CCCc2c(c1NC(=O)CCN(CCOc1cc(ccc1)C)C)C#N	PC-id_24595072	383.507	IZNRTPRAGWKOQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116570
s1c2CCCc2c(c1NC(=O)CCN(CCOc1ccc(cc1)C)C)C#N	PC-id_36048130	383.507	KFNBNSNSNITBJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116571
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCCCCC1	PC-id_16947495	383.507	OUXPRABIJNXQDS-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-116572
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCC1CCCCC1	PC-id_16947153	383.507	SJWNDFRDPNWQIR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116573
s1c2CCC(C(=O)NC3CCCCC3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947526	383.507	AWWUUEJDKGICHJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116574
s1c2c(nc1NC(=O)c1ccc(cc1)C)C(CC2)C(=O)N1CC(CCC1)C	PC-id_16947498	383.507	KJUIEFQMFBBERR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116576
s1c2c(nc1NC(=O)c1ccc(cc1)C)C(CC2)C(=O)N1CCC(CC1)C	PC-id_16947499	383.507	VSCZJCLZGRQNBJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116577
c1(NC(=O)CSc2nnc(C)s2)sc2c(CCC2)c1C(=O)OCC	STOCK3S-09172,CoCoCo_715083,MCULE-9153641615,ZINC22_4143514,EMOLS-id_2378526,PC-id_2875525	383.509	PPINDFGSYHYTLN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116578
CN1CCC(CC1)(CNS(=O)(=O)c1cnc2n1CCC2)N1CCOCC1	EMOLS-id_101956011	383.509	QOBDNORQPFEJJK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116579
S(C1CCn2ncnc12)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_10407629	383.509	BJKJECVVHDUEDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116580
COc1ccc(c2nnc(SCc3cc4n(n3)CCC4)n2CC(C)C)cc1	ZINC22_651178994,PC-id_146093035,MCULE-3756083691,EMOLS-id_324057131	383.51	HLDITLSJMXGMQN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116581
CSc1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_16779436	383.51	RAYQRAMOSUKLMQ-QCTDOKRBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-116582
CSc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_27022102,EMOLS-id_45970316	383.51	RAYQRAMOSUKLMQ-NOCYUORASA-N	00000000100100110001000010000000000000000000000000000000	25-01-116583
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)C=Cc1cccs1	MCULE-1198510942	383.51	RAYQRAMOSUKLMQ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-116584
N#Cc1c(NC(=O)C(N2CCCC(C2)c2ccnn2C)C)sc2c1CCC2	EMOLS-id_98058593	383.51	ZCYOHLQBCOSEOU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116585
N#Cc1c(NC(=O)C(N2CCC(CC2)c2[nH]nc(c2)C)C)sc2c1CCC2	EMOLS-id_99241496	383.51	PMBFQWOCWHSPRY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116586
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1sc(nn1)NC)C)C(=O)N	PC-id_9308588	383.512	WPEWZUGRCUPINE-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-116587
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1sc(nn1)NC)C)C(=O)N	PC-id_9308589	383.512	WPEWZUGRCUPINE-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116588
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC)nn1)C(=O)N	PC-id_27987221	383.512	JLQNLOKDHRNLSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116589
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(nn1)NC)C)C(=O)N	PC-id_84976361	383.512	WPEWZUGRCUPINE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116590
O=C(N1Cc2c(C1)c(n(n2)COCC[Si](C)(C)C)C(=O)O)OC(C)(C)C	SCHEMBL6891012,PC-id_69929702	383.515	XNMLWZDNKUZDJN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116591
CC(C1CCC(CC1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109515	383.527	AGBOQHGARZSBDY-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-116592
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1cc2CCCn2c1=NC	PC-id_89316787	383.527	ZXKNYMVGCQOINO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116593
C/N=c/1\n(CC(=O)c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc2n1CCC2	SCHEMBL14368570	383.527	ZXKNYMVGCQOINO-DARPEHSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116594
s1c2CCCc2cc1C(=O)N(Cc1c(OC)cccc1)Cc1sccc1	PC-id_37587497	383.527	DQSNFNWBIYDNPV-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-116595
s1c2CCCc2cc1C(=O)OCc1nc(sc1)c1ccc(C(C)C)cc1	PC-id_7238996	383.527	QYVAAFHHHPHTJP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116596
c1(NC(=S)NNC(=O)CCCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-9852524916,PC-id_4508598,EMOLS-id_4061342,CoCoCo_6797574,TIMTEC536031	383.529	WVUFOROAZJBFBR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116597
c1(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	ZINC22_4135009,EMOLS-id_4948689,CoCoCo_5016036,PC-id_4955493,ChEMBL-DNDi_CHEMBL1346773,MCULE-8135509783,CHEMBL1346773	383.53	URWFKRFFJDBSML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116598
Cc1ccc(cc1)c1csc(n1)NC(=O)Cc1c(sc2c1CCN2C)C	PC-id_89791517,SCHEMBL15241199	383.53	MVXZDYPEMKGQHP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116599
O=C(/N=c/1[nH]c2c(s1)CCC2)CN1CC[N@H+](CC1)C/C=C/c1ccccc1	GD-id_ZINC51212046	383.53	PIORJQNYPSCBAZ-VMPITWQZSA-O	00000010100010110001000010000000000000000000000000000000	25-01-116600
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(N(C)C)cc1)CC)C#N	PC-id_8458354	383.53	HMJNQSUJLQTUBS-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-116601
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)N(CC)CC	PC-id_111011251	383.534	BKFSGIOSWYWCIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116602
CCNC(=NCc1nnc2n1CCC2)NCCC(N(Cc1ccccc1)C)C	PC-id_111719660	383.534	CXMYCOCDSASIPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116603
Cc1sc(c2c1C(=O)N(C2=O)CCCCCCCCCc1ccccc1)C	SCHEMBL16604951,PC-id_117982928	383.547	FQKDOHGWDCDGLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116604
CC(C)(C)c1ccc(C2(C(=O)NCCc3cn4c(n3)SCC4)CCC2)cc1	ZINC22_1875261065	383.55	XNQOYZBQSWHZJG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-116605
CC(N1Cc2c(C1)cc(s2)C(=O)NC1CCN(CC1)Cc1ccccc1)C	PC-id_53170997	383.55	XHHCWBRKUUSMPU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-116606
CCSc1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109839	383.55	ASFUKMRFASCKDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116607
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCSc1ccccc1	PC-id_92109862	383.55	XDJWZAGFCNBUGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116608
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CSCc1ccccc1	PC-id_92109808	383.55	BFZLZAXBIPRBEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116609
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_44060357	383.55	LYQPZZQEJFUMKQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116610
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)SC(=S)N1CCCC1	PC-id_45853600,MCULE-5075204575,EMOLS-id_27367794	383.552	BPJGARUFXQZXGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116611
C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4175755,ZINC22_7443601,PC-id_8539574	383.552	BPJGARUFXQZXGU-SECBINFHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116612
C[C@H](SC(=S)N1CCCC1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_8539568,CoCoCo_4175754,ZINC22_7443595	383.552	BPJGARUFXQZXGU-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-116613
CCCCC1=Cc2c(S1(N)(CCCC)(CCCC)CCCC)scc2	PC-id_145794019	383.698	DLMCIRFTLBJAFY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-116614
Clc1c(Cl)ccc(c1Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	SCHEMBL3827465,PC-id_10293367	383.701	GXSZENJQJZJEHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116615
Brc1ccc(c(c1)C(c1sc2c(n1)CCC2)NC1CC1)Cl	PC-id_108397977	383.734	KTVLTASIWNGPHR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-116616
Brc1ccc(c(c1)Cl)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_116486843	383.734	BRIDEFRKHBXKAB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-116617
Brc1cc(C(NC2CC2)c2sc3c(n2)CCC3)ccc1Cl	PC-id_83233414	383.734	CBFORYNWBOYQSX-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-116618
Brc1c(C(NC2CC2)c2sc3c(n2)CCC3)ccc(Cl)c1	PC-id_81586552	383.734	PPRQXWAPQMIBBC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-116619
Brc1c(C(NC2CC2)c2sc3c(n2)CCC3)cc(Cl)cc1	PC-id_66156865	383.734	MWXPUEYNJLPGDK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-116620
Clc1cc(ccc1Br)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_108397979	383.734	SLEYIKSBRXWWMU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-116621
FC1CN(CC1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl	SCHEMBL19609583	383.78	CYAVAWPYKFQYRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-116622
F[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl	SCHEMBL19584223	383.78	CYAVAWPYKFQYRF-FOSCPWQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-116623
O=C(C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)Cl)N1CCC(C1)(F)F	SCHEMBL19584511	383.78	VZKHAWCXVOVDCZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-116624
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)c1ccc(c(c1)Cl)F	PC-id_139746969	383.8	QJESQNITFCEVSD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116625
Clc1c2n(CCC2C(=O)O)c(c1)C(=O)c1cc(S(=O)(=O)OC)ccc1	PC-id_20405047,SCHEMBL11008654	383.803	NBVAEKJEBOOOLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116626
CCOC(=O)c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1Cl	PC-id_24772223,SCHEMBL2162508	383.822	XKLFBTHKRYTZSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116627
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(F)c1	PC-id_42964446	383.822	ACXFKKXKICMUAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116628
Fc1cccc(c1/C=c/1sc2n(c1=O)nc(n2)/C=C/c1ccccc1)Cl	ZINC22_5185377,STOCK4S-51169,EMOLS-id_206996530	383.827	UXBJIFFBKQYBNJ-MDHDVOIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116629
Fc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_27022609	383.827	ACNGMRPWEMQDAD-RWZRJOGJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116630
Fc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_45964739,ZINC22_16734955	383.827	ACNGMRPWEMQDAD-CRWKAAGYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116631
Fc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_45965897,ZINC22_16750602	383.827	XWUTVQKIOKEIKN-CRWKAAGYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116632
Fc1cccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_27022635	383.827	LSBMRCSBYAZZQL-KCJIIOMUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116633
Fc1cccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1	ZINC22_16735176,EMOLS-id_45964811	383.827	LSBMRCSBYAZZQL-SAEKGINCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116634
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)C=Cc1ccc(cc1)F	MCULE-4255288175	383.827	XWUTVQKIOKEIKN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116635
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)C=Cc1ccc(cc1)F	MCULE-6660115590	383.827	CMNHOJUEPIDYOY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116636
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)C=Cc1ccccc1	MCULE-5624991349	383.827	UXBJIFFBKQYBNJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116637
n12nc(nc1sc(=Cc1ccccc1F)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8035389373	383.827	ACNGMRPWEMQDAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116638
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8713538237	383.827	KUNQIYZNEDMPEK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116639
n12nc(nc1sc(=Cc1cccc(Cl)c1)c2=O)C=Cc1ccc(cc1)F	MCULE-4752599724	383.827	JKWPMPCXQMOCSG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116640
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2514126300	383.827	LSBMRCSBYAZZQL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116641
O=c1/c(=Cc2ccccc2Cl)/sc2nc(/C=C/c3ccc(F)cc3)nn12	ZINC22_39835505	383.827	XWUTVQKIOKEIKN-RWZRJOGJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116642
c1(sc2c(CCC2)c1C#N)NS(=O)(=O)c1ccc(c(N(=O)=O)c1)Cl	EMOLS-id_322625861,MCULE-7697762051	383.83	GYEDCWQPGDWLJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116643
Cc1cc(=O)c(C(=O)Nc2c3c(nn2C)CCC3)nn1c1ccc(Cl)cc1	MCULE-2087178607,PC-id_47074157,ZINC22_48310739,EMOLS-id_32092628	383.832	IHTXYNIJZWXKLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116644
Clc1cc(NC(=O)NCc2n3CCCc3nn2)c(Oc2ccccc2)cc1	PC-id_52190178	383.832	YPTDUMWHQHERBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116645
Clc1c(Oc2c(NC(=O)NCc3n4CCCc4nn3)cccc2)cccc1	PC-id_52195510	383.832	LUDCSVGWDXDNOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116646
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCC2)c1C#N	STOCK3S-20333,CHEBI:105974,BindingDB-id_79411,ZINC22_879622,MCULE-5730034879,PD112629,PC-id_649757,BindingDB_PC-id_649757,CHEMBL1545971,BAS-02052810,CoCoCo_228713,EMOLS-id_1363165,ChEMBL-DNDi_CHEMBL1545971	383.851	PPPHOQFSIXVYRL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116647
Cc1ccccc1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324882437	383.851	UYKFBGKUPWOJTP-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116648
Cc1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324844793	383.851	QWAZWWOCAKANKS-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116649
Cc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324883971	383.851	HWAKLVYQCUIETN-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116650
Cc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324842232	383.851	YBEKWROMTAWUEX-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116651
Cc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324885508	383.851	OWNQOWXHMCNSDK-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116652
Cc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324843769	383.851	IRVLOKWSYQELHV-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116653
Cc1ccc(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324866053	383.851	VTDMRNVKJSLKFS-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116654
Cc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_324869122	383.851	NORXHFCXJFNLII-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116655
Clc1ccccc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324847868	383.851	JYEYAKIUGCWENL-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116656
Clc1ccc(cc1)NC(=O)c1cc2c(s1)CCN2C(=O)c1cccnc1	PC-id_97407183	383.851	JKLQUMAZGZRKEY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-116657
Clc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324846842	383.851	VVHKSJZCMGLHQZ-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116658
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)COc1ccccc1Cl	MCULE-1838972526	383.851	HWAKLVYQCUIETN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116659
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1ccccc1Cl	MCULE-3766354024	383.851	UYKFBGKUPWOJTP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116660
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)COc1ccc(Cl)cc1	MCULE-1310819214	383.851	YBEKWROMTAWUEX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116661
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1ccc(Cl)cc1	MCULE-2021233423	383.851	QWAZWWOCAKANKS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116662
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)CCOc1ccccc1	MCULE-6613343476	383.851	VVHKSJZCMGLHQZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116663
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCOc1ccccc1	MCULE-8711656613	383.851	JYEYAKIUGCWENL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116664
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)COc1ccc(cc1)C	MCULE-5387532622	383.851	NORXHFCXJFNLII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116665
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1ccc(cc1)C	MCULE-6495211267	383.851	VTDMRNVKJSLKFS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116666
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1ccccc1Cl	MCULE-3244637036	383.851	OWNQOWXHMCNSDK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116667
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1ccc(Cl)cc1	MCULE-4569712103	383.851	IRVLOKWSYQELHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116668
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)CCc1ccccc1	MCULE-3526894674	383.851	FFIASVVZYWHYIC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116669
Oc1ccc(Cl)cc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324838654	383.851	FFIASVVZYWHYIC-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-116670
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nnc3n2CCC3)c1	MCULE-4721460221,ZINC22_12990675,CoCoCo_4491068,PC-id_17503305,EMOLS-id_16687716	383.853	IXVHGGXIDFDZBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116671
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)Cl)[O-]	PC-id_134799342	383.853	CBWTXURQSFFUCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116672
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NCc1cc(ccc1)Cl)[O-]	PC-id_134800106	383.853	BKBFNNPDNDKKHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116673
CC1Cn2c(C1)nsc2=Nc1cc(C(=O)OC(C)(C)C)c(cc1F)Cl	SCHEMBL10545943	383.868	STTPAVDCMOSZSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116674
Clc1c(cc(/N=c/2snc3n2CC(C3)C)c(F)c1)C(=O)OC(C)(C)C	PC-id_14406637	383.868	STTPAVDCMOSZSP-SILNSSARSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116675
C1CC(CC(C1)(C#Cc1cc(ccc1)Cl)O)NC(=O)c1n[nH]c2c1CCC2	PC-id_91027433	383.871	IGNOYEWVZBMMMZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116676
Clc1cccc(c1)C#C[C@]1(O)CCC[C@@H](C1)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL990980,PC-id_66869422	383.871	IGNOYEWVZBMMMZ-HRAATJIYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116677
Clc1ccc(cc1)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109402	383.871	ATSSXWLVLWNSES-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-116678
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1ccccc1Cl	PC-id_92109439	383.871	HTHBDUPRLNUTLH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-116679
c1(NC(=O)c2c(Cl)cnc(SC)n2)sc2c(CCC2)c1C(=O)OC	ZINC22_16742526,CoCoCo_2209945,MCULE-6432473361,TIMTEC298915,PC-id_16435395,EMOLS-id_9843773	383.873	LXDVKNKKBKKDIA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-116680
Cn1ncc2c1CN(C(=O)C1(C)CCN(c3ccc(Cl)cc3C#N)CC1)C2	ZINC22_598938306	383.875	YZYLTUJMXADCRK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116681
c1(CN(C2CCCC2)C(=O)C=Cc2ccccc2Cl)c2CCCc2n(C)n1	MCULE-5133732375	383.914	FFJSXNUFEAOCTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116682
Clc1ccc(cc1)/C=C/C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_117054886	383.914	YOFDGPCFHSFLQU-SDNWHVSQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116683
Clc1ccc(cc1)C=CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109931	383.914	YOFDGPCFHSFLQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116684
Cn1nc(CN(C2CCCC2)C(=O)/C=C/c2ccccc2Cl)c2CCCc12	PC-id_86266565,EMOLS-id_50145302	383.914	FFJSXNUFEAOCTQ-BUHFOSPRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116685
Clc1sc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	CoCoCo_3687503,CoCoCo_3687504,MCULE-6203889273,EMOLS-id_3690709,PC-id_16342404	383.916	JVMMGJMWKABYME-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-116686
BrC1CC(c2c1n(nc2C)C(=O)c1ccccc1)Br	PC-id_102351842	384.066	FHUMCFKYVZILDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116687
CC1=C(SC(=N1)C)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872025	384.093	ZEVGBHUPEYLRQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116688
C=CCC1(Cc2c(S1)c(sc2Br)Br)C(=O)O	PC-id_89756061,SCHEMBL15195017	384.107	JMTGTLPQKMHCHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116689
CC1CCc2c1c(Br)nn2Cc1ccc(Br)cc1C	MCULE-7625597612,EMOLS-id_330968061	384.109	FFEGWCZPCQFHSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116690
CC1CCc2c1c(Br)nn2Cc1ccc(Br)c(C)c1	EMOLS-id_330968317,MCULE-9231949661	384.109	ZAICFIRZGMVBCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116691
CC1CCc2c1c(Br)nn2Cc1ccc(C)c(Br)c1	MCULE-2270630292,EMOLS-id_330965246	384.109	FQPDBSAKOHSZKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116692
CC1CCc2c1c(Br)nn2Cc1cc(C)cc(Br)c1	MCULE-5616666187,EMOLS-id_330965502	384.109	RKPCGHWFUVIRMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116693
CC1CCc2c1c(Br)nn2Cc1cccc(C)c1Br	EMOLS-id_330967550,MCULE-8882554829	384.109	GWOZFKLRFCYKMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116694
CC1CCc2c1c(Br)nn2Cc1ccc(C)cc1Br	MCULE-2860889111,EMOLS-id_330967038	384.109	SZDAKNUMERESAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116695
CC1CCc2c1c(Br)nn2Cc1cc(C)ccc1Br	MCULE-4195015636,EMOLS-id_330967294	384.109	UMWCRIPVLMYCPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116696
CC1CCc2c1c(CBr)nn2Cc1ccc(Br)cc1	MCULE-3071322597,EMOLS-id_331032066	384.109	REWUMELWFDXPIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116697
CC1CCc2c1c(CBr)nn2Cc1cccc(Br)c1	EMOLS-id_331033346,MCULE-8616404747	384.109	NHGOWQNMOYEVEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116698
CC1CCc2c1c(CBr)nn2Cc1ccccc1Br	EMOLS-id_331031043,MCULE-5069450184	384.109	DMWNZKIQAKNYIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116699
CC1CCc2nn(Cc3ccc(Br)cc3C)c(Br)c12	EMOLS-id_331015594,MCULE-2147403065	384.109	BVRMJGYNYFSYIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116700
CC1CCc2nn(Cc3ccc(Br)cc3)c(CBr)c12	MCULE-6491436690,EMOLS-id_331011004	384.109	RIHRTMAWZJBLBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116701
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(Br)c12	MCULE-4401769694,EMOLS-id_331015850	384.109	OMGPKXJNARNVQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116702
CC1CCc2nn(Cc3cccc(Br)c3)c(CBr)c12	EMOLS-id_331012284,MCULE-9866271280	384.109	FDNQWWZNDZDQRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116703
CC1CCc2nn(Cc3ccccc3Br)c(CBr)c12	MCULE-4393668102,EMOLS-id_331014076	384.109	UWWPYGKYVDFZSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116704
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(Br)c12	EMOLS-id_331016874,MCULE-5523632743	384.109	AFBBAOHEIXPXQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116705
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(Br)c12	EMOLS-id_331017130,MCULE-3960146409	384.109	JOCHXXMYOAWRFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116706
CC1CCc2nn(Cc3cc(C)ccc3Br)c(Br)c12	EMOLS-id_331014827,MCULE-3181361842	384.109	YRHCLWKSBZGECT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116707
CC1CCc2nn(Cc3ccc(C)cc3Br)c(Br)c12	MCULE-1792008912,EMOLS-id_331014571	384.109	VJHFHRWFKBILOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116708
CC1CCc2nn(Cc3cccc(C)c3Br)c(Br)c12	MCULE-8460059001,EMOLS-id_331015083	384.109	UZCPZLAIUXRAIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116709
CC1=C2[C@@H]([C@@H](CC2=C(S1)C(=O)CCC3=C(C=C(C=C3)O)OC)C(C)C)C=C	PC-id_163596784	384.176	GUCVMVZUHXWOLC-MSOLQXFVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116710
Cc1nn2c(n1)C(=NNc1c(c(ncn1)Cl)Cl)C(=N2)NC(=O)C(C)O	PC-id_89282862	384.181	XXAWAEYOPXPEBV-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-116711
Clc1c(N/N=C/2c3n(N=C2NC(=O)OCC)nc(n3)C)ncnc1Cl	PC-id_59696902	384.181	KXVPMWPXOKVFLL-GXHLCREISA-N	00000011100000100001000010000000000000000000000000000000	25-01-116712
Clc1c(NN=C2c3n(N=C2NC(=O)OCC)nc(n3)C)ncnc1Cl	PC-id_72360657	384.181	KXVPMWPXOKVFLL-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-116713
CC1CCc2c1c(C=O)nn2Cc1cc(F)ccc1I	EMOLS-id_331004150,MCULE-2554888424	384.187	AKQYKQWKQHQVJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116714
CC1CCc2c1c(C=O)nn2Cc1c(F)cccc1I	EMOLS-id_331003894,MCULE-6848887406	384.187	FDGQHZJHEWFAOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116715
CC1CCc2nn(Cc3cc(F)ccc3I)c(C=O)c12	EMOLS-id_330987953,MCULE-7540024003	384.187	JWNHQLRROAOMCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116716
CC1CCc2nn(Cc3c(F)cccc3I)c(C=O)c12	MCULE-2818555539,EMOLS-id_330987697	384.187	WUZHCVHDKNQSHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116717
CC1CCc2c1c(nn2Cc1ccc(c(Br)c1)C(F)(F)F)C#N	EMOLS-id_331020536,MCULE-6574120864	384.194	CCOJRTAKGFRVCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116718
CC1CCc2c1c(nn2Cc1ccc(cc1Br)C(F)(F)F)C#N	MCULE-3834723820,EMOLS-id_331022071	384.194	FSRUWXCMGMMMHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116719
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(C#N)c12	EMOLS-id_331005362,MCULE-7317550268	384.194	NGBHMPZLQCAQED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116720
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(C#N)c12	MCULE-8291164798,EMOLS-id_331002802	384.194	HJPQWYCRZZJDRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116721
C[C@@H]1[C@@H](N(CCN1C(=O)C2=C(C=C(C=C2)C)F)C(=O)C3=NNC4=C3CCC4)C	PC-id_165427903	384.196	WSPIGPRWNAVRHI-KGLIPLIRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116722
CN1C=C(N=C1)[C@@H]2CN(C[C@H]2C(=O)N3CCOCC3)CC4=NN5CCCC5=C4	EMOLS-id_317344514,PC-id_154768689,MCULE-5021062239	384.227	QLRKSRFCKNWWQR-QZTJIDSGSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116723
CC(c1cc(C)ccc1F)n1nc2CCC(C)c2c1I	EMOLS-id_330962366,MCULE-8208860795	384.23	IDCCWZVGCMMHHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116724
CC(c1c(C)cccc1F)n1nc2CCC(C)c2c1I	EMOLS-id_330963391,MCULE-4193962309	384.23	VTWYUPLXMNXDBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116725
CC(c1ccc(C)cc1F)n1nc2CCC(C)c2c1I	MCULE-1552224051,EMOLS-id_330963131	384.23	ZAPHLAUTRUCCDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116726
CC(c1cccc(C)c1F)n1nc2CCC(C)c2c1I	MCULE-8739236164,EMOLS-id_330962878	384.23	DUZNBBXXHGYPKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116727
CC(c1ccc(C)c(F)c1)n1nc2CCC(C)c2c1I	EMOLS-id_330962875,MCULE-8734970830	384.23	BIBIMMWJYPTUQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116728
CC(c1cc(C)cc(F)c1)n1nc2CCC(C)c2c1I	MCULE-5592875883,EMOLS-id_330962622	384.23	WRFHXHMMOSECKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116729
CC(c1ccc(F)cc1C)n1nc2CCC(C)c2c1I	EMOLS-id_330963389,MCULE-4236602752	384.23	KXJVNCUMXMGCSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116730
CC(c1ccc(F)c(C)c1)n1nc2CCC(C)c2c1I	MCULE-5952444709,EMOLS-id_330963645	384.23	OSVALYYNYFHFIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116731
CC(c1cc(F)ccc1C)n1nc2CCC(C)c2c1I	MCULE-3048115278,EMOLS-id_330963135	384.23	KCMWOMGZNCAELE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116732
Clc1cc(Cl)c(cc1C1OCCN(C1)C(=O)c1n[nH]c2c1CCC2)F	EMOLS-id_110741976	384.232	AFEUJDRARDTXHM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116733
Ic1cc(C(=O)c2sc3CCCc3c2)c(OC)cc1	PC-id_43463325	384.232	FBAOIDQXSQVVLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116734
Ic1ccc(NC(=O)c2c3CCCc3sc2N)cc1	PC-id_4778121	384.235	DASOXKTUQZSCKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116735
c1(NC(=O)c2ccc(Br)o2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2447068,PC-id_1271578,MCULE-8345631550,ZINC22_1086184,CoCoCo_908695	384.245	XCMGTJWQQYNSNS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-116736
c1(NC(=O)c2n[nH]cc2Br)sc2c(CCC2)c1C(=O)OCC	MCULE-3502143831,PC-id_4136344,CoCoCo_5825251,CoCoCo_5825252	384.248	PBJBUCNILCUTDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116737
Cn1ncc(c1)CCC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_258101658,MCULE-7451711257	384.248	TYVBCSPPSGINAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116738
c1(C#N)c2CCCc2sc1N=Cc1ccc(I)s1	MCULE-3835280285,PC-id_1040439	384.258	NBFUDOAFKPNMST-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-116739
Ic1ccc(/C=N/c2sc3CCCc3c2C#N)s1	SPECS-id_AG-205/33671001,CoCoCo_6888321,EMOLS-id_45930063,PC-id_9617833,ZINC22_712093	384.258	NBFUDOAFKPNMST-FRKPEAEDSA-N	00000010100100000000000010000000000000000000000000000000	25-01-116740
N#Cc1c(/N=Cc2ccc(s2)I)sc2c1CCC2	CoCoCo_6888322	384.258	NBFUDOAFKPNMST-APSNUPSMSA-N	00000010100100000000000010000000000000000000000000000000	25-01-116741
Brc1cc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cnc1	PC-id_61794796	384.271	FQTMLBOGFXMVPJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116742
c12CCCc1c(c(N=Cc1cc(Cl)cc(Cl)c1O)s2)C(=O)OCC	MCULE-2118781916	384.277	GBNVAHQOIUKFGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116743
c1(cc(Cl)ccc1Cl)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327953994,MCULE-5961893097,PC-id_5146454	384.277	PIUOWOPMCSOEGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116744
c1(c(Cl)cccc1C(=O)Nc1sc2CCCc2c1C(=O)OCC)Cl	MCULE-6118087701,EMOLS-id_328106291	384.277	YSDSOZQKBBSBMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116745
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-3080146745,ZINC22_636908,ChEMBL-DNDi_CHEMBL5653182,EMOLS-id_663041,CoCoCo_673949,TIMTEC272219,PC-id_987795	384.277	KTFIQTRRWHHMGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116746
c1(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	ZINC22_1514837,MCULE-8729452403,CoCoCo_1661591,ChEMBL-DNDi_CHEMBL1000-0701,PC-id_5154340,EMOLS-id_6175718	384.277	HNPMPWVEGFBTDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116747
Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1Cl	CoCoCo_2840967,MCULE-1864696207,EMOLS-id_3466254,ZINC22_5308671,PC-id_4804289	384.277	MGPQRUQSEQGORZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116748
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(Cl)cc(Cl)c1O	PC-id_135473191,EMOLS-id_26486371	384.277	GBNVAHQOIUKFGF-DNTJNYDQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116749
CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2CCCc12	PC-id_3319653,MCULE-3614168287,EMOLS-id_327747286	384.277	ANWUPOMEFMTZOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116750
ClC1=CC(=CC(=CNc2sc3c(CCC3)c2C(=O)OCC)C1=O)Cl	PC-id_5897263	384.277	HQHBWYNAOYZAAE-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-116751
ClC1=CC(=C/C(=C/Nc2sc3c(CCC3)c2C(=O)OCC)/C1=O)Cl	PC-id_6364974	384.277	HQHBWYNAOYZAAE-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-116752
Clc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cc(Cl)c1	PC-id_7238707	384.277	KXCJLSGQLSNMAA-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-116753
Clc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cc(Cl)c1	PC-id_7238708	384.277	KXCJLSGQLSNMAA-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116754
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc(Cl)c1	PC-id_4679871	384.277	KXCJLSGQLSNMAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116755
Clc1c(CNC(=O)COC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_7238741	384.277	LFNKGALSSDXMJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116756
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_4391734	384.277	LBTZSQJWFASYMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116757
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cccc1Cl	PC-id_40924856	384.277	VEWFQVPRIXOFAB-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-116758
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cccc1Cl	PC-id_40924861	384.277	VEWFQVPRIXOFAB-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116759
Br[C@H]1C[C@H](Br)c2c1c(Br)sc2Br	CoCoCo_5770727,PC-id_11732901	439.788	IKESWEOGHPMERW-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139310
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)ccc(Cl)c1	PC-id_7623566	384.277	PGTPGNGBOFQTPP-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-116760
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)ccc(Cl)c1	PC-id_7623569	384.277	PGTPGNGBOFQTPP-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116761
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cc(Cl)cc1	PC-id_7623717	384.277	KXVJOXCSIDSNEK-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-116762
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cc(Cl)cc1	PC-id_7623719	384.277	KXVJOXCSIDSNEK-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116763
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)c(Cl)ccc1	PC-id_8359087	384.277	QKKRRRQSZQTZIK-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-116764
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)c(Cl)ccc1	PC-id_8359088	384.277	QKKRRRQSZQTZIK-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116765
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cccc1Cl	PC-id_16505584	384.277	VEWFQVPRIXOFAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116766
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc(Cl)c1	PC-id_3651468	384.277	PGTPGNGBOFQTPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116767
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc(Cl)cc1	PC-id_16505619	384.277	KXVJOXCSIDSNEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116768
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)c(Cl)ccc1	PC-id_78674812	384.277	QKKRRRQSZQTZIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116769
NNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)I	PC-id_113702114	384.278	YCPYFKCFJFKINW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116770
Cc1cc(Br)c(cc1S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101318548	384.291	NJTZJGINVVQWLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116771
Cc1cc(Br)c(cc1S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_98228366	384.291	PKWXAOBQQAGQGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116772
O=C(c1[nH]nc(c1Br)C(C)C)NCCc1cn2c(n1)SCC2	EMOLS-id_99838237	384.295	SRLUVVCMFMTZQH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116773
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2n(nc1C(F)(F)F)CC[NH+]2[O-]	SCHEMBL18758574	384.31	JIXWYHYOQCIZHO-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116774
Brc1sc(C=Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_23910171	384.311	CSEVLKMZPTYLFQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-116775
c12CN(Cc1nn(CC1CCCCC1)c2Br)C(=O)OC(C)(C)C	EMOLS-id_324340333,MCULE-9594046408	384.311	DMQSSMSUUHKEIZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-116776
Clc1ccc(c(c1)Cl)C(NC(=NCCc1cn2c(n1)SCC2)N)C	PC-id_120363266	384.327	JQMMHNXTJXVESZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116777
c1(NC(=O)c2cccc(c2)OC(F)(F)C(F)F)sc2c(CCC2)c1C#N	PC-id_1012349,EMOLS-id_8246264,MCULE-8535544956,SPECS-id_AK-968/15254320,ZINC22_673249,CoCoCo_5824142	384.348	KMKUSMMVDCUIAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116778
OC(=O)c1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261647	384.35	KWYWWEHDDLKFMY-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116779
Fc1ccc(OCC2=NC(=O)C(C(=O)NCc3n4CCCc4nn3)C=N2)cc1	PC-id_77920326	384.364	OZRVRIGITLRPHP-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-116780
Fc1ccc(OCc2[nH]c(=O)c(C(=O)NCc3n4CCCc4nn3)cn2)cc1	PC-id_70786940	384.364	HHXNRHHWEWZFEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116781
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1C(F)(F)F)F	MCULE-9703308527,EMOLS-id_330981554	384.368	KQWMBESJCVYVCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116782
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(cc1F)C(F)(F)F	EMOLS-id_330977982,MCULE-5932802304	384.368	JMZZCFRXPBTYFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116783
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(C(F)(F)F)c1)F	EMOLS-id_330984112,MCULE-8002873079	384.368	IYBWFHWNZBLDCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116784
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cccc(C(F)(F)F)c1F	EMOLS-id_330984624,MCULE-1743894092	384.368	YRWPNBRSPPCTIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116785
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1ccc(c(F)c1)C(F)(F)F	MCULE-9184425585,EMOLS-id_330977726	384.368	OAALRGYRYNCAFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116786
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(F)cc(c1)C(F)(F)F	MCULE-4487088044,EMOLS-id_330984880	384.368	PZWSUDHOYAEHQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116787
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1cc(F)ccc1C(F)(F)F	MCULE-9224532964,EMOLS-id_330981810	384.368	XSYFRUIBLBWXQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116788
c1(C(=O)OCC)c2C(C)CCc2nn1C(C)c1c(F)ccc(c1)C(F)(F)F	EMOLS-id_330984368,MCULE-2384853020	384.368	MIIQDZORLWWPBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116789
CCOC(=O)c1c2C(C)CCc2nn1C(C)c1c(F)cccc1C(F)(F)F	EMOLS-id_330985393,MCULE-1387621538	384.368	VHBDNZJRNHKYMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116790
c1(c2CCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)OC	EMOLS-id_8301599,PC-id_1268014,MCULE-7476857017,CoCoCo_5951416,ZINC22_1081043	384.373	GVSVBPVMZQVNDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116791
c1(NC(=O)COc2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)N	PC-id_2970967,ZINC22_4750294,EMOLS-id_2009423,CoCoCo_542113,ChEMBL-DNDi_CHEMBL7946828,MCULE-8291761290	384.373	RRZOGRBNMVFANN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116792
COC(=O)c1c(NC(=O)CNc2ccc(F)c(F)c2F)sc2c1CCC2	PC-id_41790372,CoCoCo_4279890,MCULE-9373660572,ZINC22_11041337,EMOLS-id_24977583	384.373	YKWMTACHOLRUQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116793
CCNC(=NCc1ccc(cc1C(F)(F)F)F)NCc1nnc2n1CCC2	PC-id_111020637	384.375	ZEWJUDONNDVTIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116794
CCn1cc2CN(Cc2n1)C(=O)Nc1c(ccc(n1)c1c(cc(cc1)F)F)N	SCHEMBL20738553,PC-id_137495583	384.383	LRVFQDUOQITTES-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-116795
N#Cc1c(NC(=O)Cn2nc(c3ccc(F)cc3)oc2=O)sc2c1CCC2	CoCoCo_4266508,MCULE-1434521588,ZINC22_10423004,EMOLS-id_18856645,PC-id_41490045	384.384	SBMWTDBYCAIOPR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116796
Cc1ccc(cc1)OCCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518600	384.389	GJUIHAFEBGPQBQ-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116797
Cc1ccc(cc1)OCCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518601	384.389	GJUIHAFEBGPQBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116798
CCc1ccc(cc1)OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518620	384.389	NZLWRNPLDVKAIP-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116799
CCc1ccc(cc1)OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518622	384.389	NZLWRNPLDVKAIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116800
FC(F)(F)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328219249,MCULE-2257268857	384.394	YJRYAIJRFWBHIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116801
FC(F)(F)c1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-6097987889,EMOLS-id_328216690	384.394	PDOGTWYOLGHCGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116802
FC(F)(F)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-8410075966,EMOLS-id_328220540	384.394	AIECXBFIOOLADA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116803
Fc1ccc(cc1)C(=O)N1CCc2c1cc(s2)C(=O)Nc1ccccc1F	PC-id_97407190	384.399	SHOWGHFZXCQBKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116804
C1[C@H](O[C@H](C1(F)F)Cn1ccc(nc1=O)N)CN1Cc2c(C1)sc(n2)N	SCHEMBL19934359,PC-id_134313773	384.404	VFBAIYYUOBHWIS-KWQFWETISA-N	00000010100000100001000010000000000000000000000000000000	25-01-116805
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C#N)C(=O)OC	PC-id_16522637	384.406	SHTGLPAVBIOCSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116806
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)C(=O)OC)C#N	PC-id_16506473	384.406	MOETVWYYDREGHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116807
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)n1cccn1	PC-id_89239137,SCHEMBL14058138	384.409	NNFAKUCJFYDOGK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116808
CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)n1	ZINC22_12840887	384.409	UAZVMBCBFIYCJQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116809
COc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)Nc1onc2c1CSC2	PC-id_121050387	384.409	SUNCDQNJXZSKGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116810
COc1ccccc1c1ccc(=O)n(n1)CC(=O)Nc1onc2c1CSC2	PC-id_121050831	384.409	JPCDOPZLVFXGER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116811
COc1cccc(c1)c1ccc(=O)n(n1)CC(=O)Nc1onc2c1CSC2	PC-id_121051842	384.409	YJIYFQUQEBSZJP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116812
COc1ccc(cc1)c1ncn(c(=O)c1)CC(=O)Nc1onc2c1CSC2	PC-id_121063905	384.409	DWMMDGCGKPZCLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116813
NC(=O)c1c(NC(=O)COc2ccc(c3nnco3)cc2)sc2c1CCC2	CoCoCo_3164718,EMOLS-id_11713951,ZINC22_7989813,MCULE-8792118088,PC-id_9119300	384.409	KWMQMACFKGJWIG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116814
s1c2c(CCC2)c(c1NC(=O)Cn1c(noc1=O)c1ccccc1)C(=O)N	PC-id_48729878	384.409	MACYCCOYIJLQGF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116815
c12c(CCC1C(=O)OCC)sc(NC(=O)c1cccc(c1)n1cnnn1)n2	PC-id_45504148,EMOLS-id_30149483,MCULE-4286089347	384.412	KCUAVJKNZHYQKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116816
c1(NC(=O)c2cnccn2)c2CSCc2nn1CC(=O)NCc1ccco1	ZINC22_23139342,EMOLS-id_24913443,CoCoCo_5277710,PC-id_30862608,MCULE-2498147624	384.412	IBZHXFJZEQRDGH-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-116817
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cccc(n4cnnn4)c3)nc12	PC-id_51894271,ZINC22_38488862	384.412	KCUAVJKNZHYQKM-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116818
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cccc(n4cnnn4)c3)nc12	ZINC22_38488859,PC-id_51894270	384.412	KCUAVJKNZHYQKM-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116819
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)c1n[nH]c2CCCc12	EMOLS-id_335101360,MCULE-5441690686	384.412	XVBFMCLRUWZAEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116820
O=C(Nc1sc2c(c1C(=O)N)CCC2)COc1cccc(c1)n1cnnn1	CoCoCo_3166699,PC-id_17547684	384.412	HIKXZQOJWIQAMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116821
s1c2c(CCC2)c(c1NC(=O)COc1ccc(n2nnnc2)cc1)C(=O)N	PC-id_52891471	384.412	YNCYCYKGZNSGER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116822
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_4539675,CoCoCo_1953207,PC-id_3918231,MCULE-8459667967,EMOLS-id_6770592	384.424	IXXRQWWPKFLGNJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-116823
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343332,MCULE-5083267983	384.424	TVRKNSRZCBAGMZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-116824
C(=Cc1cccc(F)c1)(C#N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-2658757708	384.424	BMZMURGBYGWRBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116825
C(=Cc1ccc(F)cc1)(C#N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8770049968	384.424	GOPGLKDTONCDGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116826
CCOC(=O)c1c2CCCc2sc1NC(=O)/C(=C/c1cccc(F)c1)/C#N	EMOLS-id_328121191	384.424	BMZMURGBYGWRBE-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116827
CCOC(=O)c1c2CCCc2sc1NC(=O)/C(=C/c1ccc(F)cc1)/C#N	EMOLS-id_328116057	384.424	GOPGLKDTONCDGU-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116828
Fc1ccc(cc1)C(=O)N1CCc2c1cc(s2)C(=O)NCc1ccc(o1)C	PC-id_97407191	384.424	TXWGTQXUZSHHQQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-116829
Fc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)NCc1ccco1	ZINC22_3238246,MCULE-6915113183,PC-id_2355991,CK2061801,EMOLS-id_2998084,CoCoCo_3762697	384.424	CSWBZFOEVYCXLJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-116830
CCCCCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL7678442,PC-id_54304946	384.426	SGVIYNBJSQFJEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116831
Cc1cccc(OCC(=O)N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)c1C	ZINC22_952846103,MCULE-9995167839,EMOLS-id_316848848	384.429	AXHAEVMYMNCKIB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116832
CCC(=O)n1nc2c(c1NC(=O)c1ccccc1)CN(C2)C(=O)OC(C)(C)C	PC-id_141308576	384.429	HTRMUZXODODGRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116833
CCN(c1ncc(cn1)C(=O)OC)C1CCN(C1)C(=O)c1occ2c1CCC2	MCULE-6482792005,PC-id_146098916,EMOLS-id_324028228	384.429	PKUNPFHQTQBNCQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-116834
CCN(c1ncc(C(=O)OC)cn1)[C@H]1CCN(C(=O)c2occ3c2CCC3)C1	ZINC22_1875312575	384.429	PKUNPFHQTQBNCQ-HNNXBMFYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-116835
CCN(c1ncc(C(=O)OC)cn1)[C@@H]1CCN(C(=O)c2occ3c2CCC3)C1	ZINC22_1875312576	384.429	PKUNPFHQTQBNCQ-OAHLLOKOSA-N	00000010100000100001000010000000000000000000000000000000	25-01-116836
COc1cc(OC)ccc1C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98241097	384.429	FSANLPVHVXGGKN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116837
COc1c(OC)cccc1C(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98973382	384.429	FLIICOUWGLHOMM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116838
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)CC)c1ccccc1	PC-id_141257366	384.429	AJLLSBPGLSEJJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116839
O(C(=O)N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)CC)C(C)(C)C	PC-id_71477104	384.429	OLWKMBSGJFBHDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116840
COc1ccc(/C=N/c2c(C#N)c3n(c2C(=O)Nc2ccccc2)CCC3)cc1	CHEMBL577159,PC-id_45112333	384.43	PJXVDBKWOMTYJQ-MFKUBSTISA-N	00000010100000110000000010000000000000000000000000000000	25-01-116841
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2nnc3n2CCC3)CC1	ZINC22_24444316,EMOLS-id_29609715,CoCoCo_4560427,MCULE-6109999855,CoCoCo_4560428,PC-id_31821337	384.432	CGGUALHNSKPYLH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116842
COc1ccc(c(n1)N1CCN(CC1)C(=O)C)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98100054	384.432	KCAPHFJZPZIFKU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-116843
n12CCCc1nnc2CNC(=O)Nc1ccc(cc1)C(=O)NCC1CCCO1	MCULE-6338926579,PC-id_72915449,EMOLS-id_49169944	384.432	URZMUCWAIFVCHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116844
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCc1ccccc1	MCULE-4353074988	384.432	LQAFADRIUROMPA-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-116845
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCC(C1)Nc1n[nH]c2c1CNC2(C)C	PC-id_140963657	384.432	YWKCAJKOUXZGHW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116846
O=C(Nc1ccc(cc1C)C(=O)N1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_98528506	384.432	SSXCONQWSWJUPD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116847
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	CoCoCo_4560450,EMOLS-id_25023891,ZINC22_32889094,MCULE-3132136188,PC-id_40124231	384.432	RAMXSMOSHMXBSS-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-116848
O=C(NCc1nnc2n1CCC2)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1	PC-id_97453577,ZINC22_96162726	384.432	URZMUCWAIFVCHL-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116849
O=C(NCc1nnc2n1CCC2)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1	ZINC22_96162725,PC-id_97453576	384.432	URZMUCWAIFVCHL-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116850
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)s1	EMOLS-id_324841212	384.432	LQAFADRIUROMPA-RAXLEYEMSA-N	00000000100100110001000010000000000000000000000000000000	25-01-116851
c1ccc(Oc2ccnc(Nc3ccc(Cc4nnc5n4CCC5)cc3)n2)cc1	EMOLS-id_324074524,PC-id_145895652,ZINC22_432840020,MCULE-8120833467	384.434	OVRRINGTFLLZCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116852
CCOC(=O)c1c([nH]nc1NN=C1C(=Nn2c1nnc2C)C(=C)C)C(C)(C)C	PC-id_89429309	384.436	GIHWVSPDPPNDBL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-116853
O(/C(=C/1C(=NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)[N-]N=C1C)/[O-])CC	PC-id_59247762	384.436	ZFYABUMMDPYCQI-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-116854
O(CCCNC(=O)NCCc1nc2n(n1)N=C(C2=Nc1ncc(cc1)C)C)C	PC-id_20738803	384.436	RCAUFEXKOJXOKC-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-116855
c1(C(=O)N[C@@H]2CCC[C@H](C2)NC(=O)c2ccc(c(C)c2)F)c2CCCc2[nH]n1	MCULE-5326243380,ZINC22_1857697936,PC-id_154567642,EMOLS-id_324202256	384.447	BMAZSTFYNMLATH-HUUCEWRRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116856
O=CN1CCCC1CN(C(=O)c1cn2c(n1)CCC2)CCc1ccc(cc1)F	SCHEMBL18754730	384.447	MHWPGOIIIGPPNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116857
c1(NC(=O)C=Cc2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C(=O)NC	MCULE-3841786278	384.449	LXAJZOYPJOKJBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116858
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_2397542,ZINC22_3282020,CoCoCo_2807135	384.449	HYYOFTUKEKKBAU-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116859
CCOC(=O)c1c(N=N/C(=C(c2ccccc2)/O)/C(=O)C)sc2c1CCC2	PC-id_145964289	384.449	RMDRKXGUBPRTLQ-STFNUFEWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116860
CNC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(=O)OC)sc2CCCc12	EMOLS-id_334329566	384.449	LXAJZOYPJOKJBZ-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116861
COc1ccc(c2cc(C(=O)Nc3nc4c(s3)CCC4)c(C)o2)cc1OC	CHEMBL1822131,PC-id_56672172	384.449	OSAUIZLYIHPXHY-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-116862
COc1ccccc1CCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_8524238,CoCoCo_3136600,MCULE-2966165557,ZINC22_7429262,EMOLS-id_11844840	384.449	LNIKHUUOJXVIBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116863
COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1OC	PC-id_25531489,CoCoCo_3268213,ZINC22_12814491,EMOLS-id_45517882	384.449	YRCWBXAHSVKPCP-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116864
COc1c(OC)cc(cc1OC)/C=CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3268214	384.449	YRCWBXAHSVKPCP-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116865
COc1c(OC)c(OC)cc(C=CC(=O)Nc2c(C#N)c3c(CCC3)s2)c1	PC-id_72089016,MCULE-4949737949,EMOLS-id_26069775	384.449	YRCWBXAHSVKPCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116866
NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3)CC2)sc2c1CCC2	PC-id_8586979,CoCoCo_3115175,ZINC22_7489303,MCULE-2316715496,EMOLS-id_43784232	384.449	OOZCSQFWLOIOHL-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-116867
O=C(/C=Cc1ccc(cc1)C)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2807136	384.449	HYYOFTUKEKKBAU-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116868
O=C(C=Cc1ccc(cc1)C)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_26029538,PC-id_4320272,MCULE-2210093293	384.449	HYYOFTUKEKKBAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116869
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1noc(c1)C)C	PC-id_7238974	384.449	PCMDTKVCFOWALY-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-116870
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCCC2=O)cc1	PC-id_8218855	384.449	QXRDGCMSZYVZGW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116871
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(C(=O)NC2CC2)ccc1	PC-id_24567542	384.449	DKACNINSLVEYMG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-116872
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(N2CCCC2=O)ccc1	PC-id_24567541	384.449	JWQLYZLAQAHLPS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116873
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(C(=O)NC2CC2)cccc1	PC-id_7623941	384.449	XRNQHBXWAKTVDG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-116874
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(N2CCCC2=O)cccc1	PC-id_24567540	384.449	LJYRLGJWRMSLJA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116875
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)NC(=O)OCC	PC-id_7521525	384.449	MJUZNAJNNRXWFG-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116876
s1c2c(CCC2)c(c1NC(=O)C=Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_78495709	384.449	MJUZNAJNNRXWFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116877
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OC(C)C)cc1)C#N	PC-id_7193330	384.449	JALDMTGXIWDHCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116878
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OCCC)cc1)C#N	PC-id_7211640	384.449	GOWZEZDNKTVVCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116879
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1c(OC)ccc(c1)C)C#N	PC-id_8279429	384.449	VRTGDIBVDAVCMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116880
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(cccc1)C)C(=O)N	PC-id_7849652	384.449	ZHMKNLGJIZRQLJ-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116881
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(cccc1)C)C(=O)N	PC-id_78553377	384.449	ZHMKNLGJIZRQLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116882
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(ccc1)C)C(=O)N	PC-id_78560726	384.449	UWBWWOVNPPCBJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116883
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(ccc1)C)C(=O)N	PC-id_7882611	384.449	UWBWWOVNPPCBJO-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116884
s1c2CCCc2c(c1NC(=O)COC(=O)CCc1ccc(OC)cc1)C#N	PC-id_8308793	384.449	JBBFGBFEDVSTOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116885
s1c2CCCc2c(c1NC(=O)COC(=O)CCCOc1ccccc1)C#N	PC-id_7729377	384.449	WBDWJYARBKUWBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116886
s1c2CCCc2c(c1NC(=O)COC(=O)CCOc1cc(ccc1)C)C#N	PC-id_9139361	384.449	PFRKCIJFDJDUMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116887
s1c2CCCc2c(c1NC(=O)COC(=O)CCOc1ccc(cc1)C)C#N	PC-id_9139496	384.449	OJLPOFSZZIWTJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116888
s1c2CCCc2c(c1NC(=O)COC(=O)CCOc1c(cccc1)C)C#N	PC-id_9139976	384.449	ADBDSRGKRAVWGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116889
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](Oc1ccccc1)CC)C#N	PC-id_7555606	384.449	TWYLIFIOPXNHMT-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116890
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H](Oc1ccccc1)CC)C#N	PC-id_7555607	384.449	TWYLIFIOPXNHMT-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116891
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](Oc1cc(ccc1)C)C)C#N	PC-id_8312409	384.449	UJMQJCJZXBTKGZ-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116892
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H](Oc1cc(ccc1)C)C)C#N	PC-id_8312410	384.449	UJMQJCJZXBTKGZ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116893
s1c2CCCc2c(c1NC(=O)COC(=O)COc1cc(cc(c1)C)C)C#N	PC-id_1667699	384.449	CCCUNCAYXMVNLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116894
s1c2CCCc2c(c1NC(=O)COC(=O)COc1cc(c(cc1)C)C)C#N	PC-id_1681540	384.449	CDYWTTCGZZGTSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116895
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(cc(cc1)C)C)C#N	PC-id_7814341	384.449	XZTDKXJGNGRJDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116896
s1c2CCCc2c(c1NC(=O)COC(=O)C(Oc1ccccc1)CC)C#N	PC-id_78502287	384.449	TWYLIFIOPXNHMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116897
s1c2CCCc2c(c1NC(=O)COC(=O)C(Oc1cc(ccc1)C)C)C#N	PC-id_78661862	384.449	UJMQJCJZXBTKGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116898
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(c(ccc1)C)C)C#N	PC-id_7981930	384.449	PNNKLQIRZBBTLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116899
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(cccc1C)C)C#N	PC-id_8527896	384.449	LJOVCTZETMSALC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116900
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(ccc(c1)C)C)C#N	PC-id_8917885	384.449	XOSYCHJIYVHDTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116901
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(CC)cc1)C#N	PC-id_9272391	384.449	BZIDEKZQWHDNQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116902
S1Cc2c(nn(c2NC(=O)CCC(=O)OCC)CC(=O)NCCOC)C1	PC-id_44053051	384.451	AMYOQPGCGNSWMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116903
c1(NC(=O)c2ccnn2CC)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_6453798,EMOLS-id_15294460,MCULE-4442208892,PC-id_35525157,ZINC22_28228103	384.452	IZXUSYRNNDDIOX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-116904
c1(NC(=O)COc2cccnc2NC(=O)CCC)sc2c(CCC2)c1C#N	EMOLS-id_321802874,MCULE-4315195477	384.452	ROKJCENJQBEKHH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116905
c1(NC(=O)COc2cccnc2NC(=O)C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321803386,MCULE-1944963659	384.452	CPSWUTMNCAFDBU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116906
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCC1CCCCC1	MCULE-4024919335	384.452	QSHRAFPVHXODJQ-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116907
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCC1CCCCC1	MCULE-4257091962	384.452	JEDKQYPJXCFXOG-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116908
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCC1CCCCC1	MCULE-9518208908	384.452	GFOXYSSBCBAOGW-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116909
N1(Cc2ccccc2)C(=O)[C@@H](NC1=O)CCC(=O)Nc1sc2c(CCC2)n1	MCULE-8671075558,ZINC22_170625553,STOCK7S-49361,EMOLS-id_50229753	384.452	FDCWJYIBWHQZSO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116910
N1(Cc2ccccc2)C(=O)C(N=C1O)CCC(=O)Nc1sc2c(CCC2)n1	PC-id_91639730,EMOLS-id_54883173,MCULE-8166762719	384.452	FDCWJYIBWHQZSO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-116911
N1(CCc2ccccc2)C(=O)[C@@H](NC1=O)CC(=O)Nc1sc2c(CCC2)n1	STOCK7S-42749,PC-id_71828664,EMOLS-id_48567324,MCULE-1389099178,ZINC22_95477101	384.452	JQJFJVKCLALQLE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116912
N1(CCc2ccccc2)C(=O)C(N=C1O)CC(=O)/N=c
/sc2c(CCC2)[nH]1	EMOLS-id_49394427,MCULE-1937733219,PC-id_71706086	384.452	JQJFJVKCLALQLE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-116913
N#Cc1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCC2	PC-id_2697690,ZINC22_35414381,MCULE-8227261936,CoCoCo_3568511,EMOLS-id_11749370	384.452	QRTINJGEWVTWOQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-116914
O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1nc2c(s1)CCC2	ZINC22_253394531	384.452	FDCWJYIBWHQZSO-CQSZACIVSA-N	00000011100000110001000010000000000000000000000000000000	25-01-116915
O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nc2c(s1)CCC2	PC-id_97265494,ZINC22_95477102	384.452	JQJFJVKCLALQLE-CQSZACIVSA-N	00000011100000110001000010000000000000000000000000000000	25-01-116916
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324905994	384.452	QSHRAFPVHXODJQ-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116917
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324904962	384.452	JEDKQYPJXCFXOG-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116918
[O-][N+](=O)c1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324905991	384.452	GFOXYSSBCBAOGW-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-116919
s1c2CCCc2cc1C(=O)NNC(=O)CCC1C(=C(C(=O)N=C1C)C#N)C	PC-id_75197785	384.452	HDMHYALBQCCDOF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-116920
s1c2CCCc2cc1C(=O)NNC(=O)CCc1c(c(c(=O)[nH]c1C)C#N)C	PC-id_46520172	384.452	ALTSSQQXUNBRDW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-116921
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1c(n(nc1C)C)C)C#N	PC-id_7792596	384.452	NMOXLZDGJXAKOH-BQYQJAHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116922
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1c(n(nc1C)C)C)C#N	PC-id_78543481	384.452	NMOXLZDGJXAKOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-116923
s1c2CCCc2nc1NC(=O)CCc1onc(n1)c1ccc(OCC)cc1	PC-id_38012046	384.452	FVBHLMQKPZAITA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116924
s1c2CCCc2nc1NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1	PC-id_33040410	384.452	ZQJOJJCHVLITLJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116925
n12c(=O)c(=Cc3ccc[nH]3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-2977168180	384.454	DMQMGDQPYUMPRX-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-116926
O=c1n2nc(nc2s/c/1=Cc1ccc[nH]1)C(c1ccccc1)c1ccccc1	EMOLS-id_324825085	384.454	DMQMGDQPYUMPRX-JXAWBTAJSA-N	00000000110000110001000010000000000000000000000000000000	25-01-116927
C1COCCN1CC(=O)Nc1cc2=NC(=C(c3c(nccc3)N)N)C=c2s1	PC-id_90077347	384.455	DLOINCWBPXSJKP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116928
c1(NC(=O)CN2CCN(CC2)c2nccc(=O)[nH]2)sc2c(CCC2)c1C#N	MCULE-2596025636,EMOLS-id_322526305	384.455	WRSVYDGTVWBUDP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-116929
Cn1nc2c(c1Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)C)CCC2	SCHEMBL14650562,PC-id_53477113	384.455	VTXQPWXOLOTRLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116930
Cn1nc(c2c1CCC2)Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)C	SCHEMBL14650503,PC-id_71233477	384.455	HXMRGFCKMBACJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116931
CN(Cc1nc(c2ccccn2)no1)C(=O)NCCc1nc2c(s1)CCC2	EMOLS-id_177442467,ZINC22_584895165,MCULE-6095688993	384.455	IJBJXNQEIYHWDC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-116932
COCc1csc(NC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)n1	ZINC22_192293601	384.455	MIUNUHAFARSRIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116933
COCCn1cc2CN(Cc2n1)C(=O)Nc1c(ccc(n1)c1cccs1)N	PC-id_137495604,SCHEMBL20738576	384.455	MSRLPCSKLDFTEZ-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-116934
CCCCCCNOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_118604670,SCHEMBL17369578	384.469	ZURJXSRHWQTFFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116935
c1(NC(=O)CS(=O)C(C)C(=O)OCCOC)sc2c(CCC2)c1C#N	EMOLS-id_320646640,MCULE-2170088695	384.47	XMNPEBMNGYULQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116936
c1(NC(=O)CS(=O)CC(=O)OC(C)COC)sc2c(CCC2)c1C#N	EMOLS-id_320677483,MCULE-6659540521	384.47	JKVLLKGEXATAPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116937
c1(NC(=O)CS(=O)CC(=O)OCCOCC)sc2c(CCC2)c1C#N	EMOLS-id_320642814,MCULE-7039446547	384.47	KKFULKIBBOTDOU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-116938
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(c(c1)C)F	SCHEMBL15001959,PC-id_89607876	384.47	WYGZJLNOWBYEDD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116939
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(c(c1)F)C	SCHEMBL15002335,PC-id_89608239	384.47	QQUGUVFEWYRRLJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116940
N#Cc1c(NC(=O)CN2CCN(c3ccccc3F)CC2)sc2c1CCC2	PC-id_2438159,MCULE-5053991891,CoCoCo_3567052,CoCoCo_3567053,ZINC22_34872262,EMOLS-id_3276527	384.47	CLZFWYSYFFZZLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116941
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(F)cc1)C#N	PC-id_2105321	384.47	LNOGAKPQZUIPCX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-116942
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CCC(=O)NCc2ccc(C)o2)C1	EMOLS-id_20576729,MCULE-4665999928,PC-id_45211127	384.472	LRFUXTFEJATFJO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-116943
c1(CN(C)C(=O)Nc2ccc(cc2)OCC2CCCCO2)c2CCCc2[nH]n1	EMOLS-id_49146655,PC-id_72851319,MCULE-8614697917	384.472	XDLODPIJEFWHGR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116944
Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)o1	CoCoCo_1383511,PC-id_42528920,ZINC22_12316617,CoCoCo_1383513	384.472	LRFUXTFEJATFJO-HNNXBMFYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-116945
Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)o1	CoCoCo_1383514,ZINC22_12316618,CoCoCo_1383512,PC-id_42528921	384.472	LRFUXTFEJATFJO-OAHLLOKOSA-N	00000010101010000001000010000000000000000000000000000000	25-01-116946
CN(Cc1n[nH]c2c1CCC2)C(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1	PC-id_97435065,ZINC22_96133646	384.472	XDLODPIJEFWHGR-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116947
CN(Cc1n[nH]c2c1CCC2)C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1	ZINC22_96133647,PC-id_97435066	384.472	XDLODPIJEFWHGR-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116948
COc1ccc(CN(CC2CCCO2)C(=O)NCc2n[nH]c3CCCc23)cc1	MCULE-8032470399,EMOLS-id_177503270,PC-id_121512718	384.472	GFRIDFULULYCEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116949
COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCc2n[nH]c3c2CCC3)cc1	ZINC22_426711233	384.472	GFRIDFULULYCEK-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116950
COc1ccc(CN(C[C@H]2CCCO2)C(=O)NCc2n[nH]c3c2CCC3)cc1	ZINC22_426711237	384.472	GFRIDFULULYCEK-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116951
NC(=O)c1ccc(c2nc(COC(=O)c3cc4c(s3)CCC4)cs2)cc1	MCULE-2210386399,ZINC22_63881046,EMOLS-id_44551550,PC-id_48229634	384.472	PSHAKNIOSCWDDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116952
OCCn1ncc2c1CN(C2)Cc1ccc(cc1)OCC(=O)N1CCCCC1	PC-id_77097296,EMOLS-id_49898979,MCULE-1597674109	384.472	CEPPOKYPDAIRBM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116953
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CCN(CC1)C(=O)C	PC-id_92109306	384.472	YAFHHUIDKJMWNQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-116954
s1c2CCCc2c(c1NC(=O)COC(=O)C=CSc1ccccc1)C#N	PC-id_78740069	384.472	IMXNIDADWAFGKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116955
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/Sc1ccccc1)C#N	PC-id_8627467	384.472	IMXNIDADWAFGKY-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116956
s1c2c(CCC2)c(c1NC(=O)N1CCN(CC1)Cc1ccccc1)C(=O)[O-]	PC-id_29098409	384.472	CZKGMSCEGYTLSH-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-116957
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN=C1c1ccc(cc1)N	EMOLS-id_328335769,MCULE-3928342163	384.474	VUCMKTNPYWAMIG-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116958
Br[C@H]1C[C@@H](Br)c2c1c(Br)sc2Br	PC-id_396947,CoCoCo_5770726,NSC704128	439.788	IKESWEOGHPMERW-WSOKHJQSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139311
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)C1=NCCN1	MCULE-2789997294,EMOLS-id_328221552	384.474	IMUVGXGBZHRMTK-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-116959
c1(C(=O)NCCN2CCN(CC2)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316324671,MCULE-4983138210	384.475	LTHZMXFBNGSLCR-SFHVURJKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116960
CCCCNC(=O)NN1Cc2c(C1(C)C)n[nH]c2NC(=O)Cc1ccccc1	SCHEMBL2920049,PC-id_68441160	384.475	BDBVDELNYFYOKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116961
CCC(C(=O)Nc1n[nH]c2c1CN(C2)NC(=O)Nc1cc(C)ccc1C)CC	PC-id_10293417,SCHEMBL2924288	384.475	XUMSELUJALBQNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116962
CCN1CCN(CC1)CCNC(=O)c1nn2c(c1)CC(C2)Oc1ccncc1	MCULE-8650223152	384.475	LTHZMXFBNGSLCR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-116963
CC(NC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C)C	SCHEMBL2925528,PC-id_10271360	384.475	SZZCNWGFVKWSNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116964
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C)C	PC-id_58015722,SCHEMBL1205125	384.475	WFNYBFVVIUOOSV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116965
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OC1COCC1)C	PC-id_109742985	384.475	JFQHXJKJILWTIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116966
O=C(c1ccc(cc1)n1ccnc1S)NNC(=O)c1sc2c(c1)CCC2	MCULE-8712316951,EMOLS-id_72993966,CoCoCo_4918769,PC-id_45898919	384.475	NGYHWMBOIWJEND-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-116967
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)c1[nH]ncc1CN1CCOCC1	EMOLS-id_316163585,MCULE-5978814336	384.475	HALRFQSXDOKINV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116968
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1	ZINC22_286418055	384.475	HALRFQSXDOKINV-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116969
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1	ZINC22_286418058	384.475	HALRFQSXDOKINV-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-116970
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1sccn1	PC-id_16947609	384.475	PNAGNXDDHFQGEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116971
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1scc(n1)C	PC-id_16947132	384.475	UFSUMPCAZKXIAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116972
s1c2CCCc2nc1NC(=O)Cc1nc(sc1)NC(=O)c1ccccc1	PC-id_33041014	384.475	ADKCEQDUZWIRKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116973
S1CCn2c1nc(c2)CNC(=O)c1noc(C[NH+](Cc2ccccc2)C)c1	PC-id_25285738	384.475	WGMWHIIPNFXCJF-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-116974
Cn1ncc(c1)C(n1ncc(c1)CCc1n[nH]c2c1C(=C)CC2)c1ccccc1	PC-id_118136302,SCHEMBL16789909	384.477	IYXJEXQKYABBTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-116975
CCc1ncnc(c1)N1CCCC(C1)NC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_99012271	384.479	KLRJCCKHQRAJGW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-116976
CN1CCN(CC1)c1ccc(cn1)CNC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_98765490	384.479	AUNWMGKXJOQXNR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-116977
CN1CCN(CC1)c1ncccc1CNC(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_98765130	384.479	HQWYYTCWSPUZTP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-116978
c1(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)c2CCCc2[nH]n1	PC-id_45171666,EMOLS-id_20405482,MCULE-3721001027	384.49	RPYFYBPMZMUMEF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116979
c1(C(=O)N(C)CC2CCN(CC2)CCc2cccc(F)c2)c2CCCc2[nH]n1	PC-id_42520157,CoCoCo_1520468,EMOLS-id_20667497,CoCoCo_1520470,ZINC22_12306932,CoCoCo_1520469,MCULE-5583087078,CoCoCo_1520467	384.49	MFMCJEMUKAQQJI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116980
CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2	CoCoCo_1139054,ZINC22_11663614,CoCoCo_1139060,PC-id_42097130,CoCoCo_1139058,CoCoCo_1139056	384.49	RPYFYBPMZMUMEF-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116981
CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2	CoCoCo_1139057,PC-id_42097132,CoCoCo_1139059,ZINC22_11663615,CoCoCo_1139053,CoCoCo_1139055	384.49	RPYFYBPMZMUMEF-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116982
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)c1ccccc1C	ZINC22_20120903,PC-id_1431983,EMOLS-id_6579995,MCULE-5910789237,ASN-05340623	384.492	QSHBIMOUTJSHIG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-116983
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_2190446,PC-id_2926950,MCULE-5109940063	384.492	LOQZNYQLBITHQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116984
c1(NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335139,MCULE-2006791616	384.492	YPCSWOACHBKVPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116985
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	BAS-06261550,TIMTEC561427,MCULE-5749070583,EMOLS-id_1478537,PC-id_2938784,SPECS-id_AF-399/41899650	384.492	XYEJGFCWZVSQCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116986
c1(NC(=O)c2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C#N	MCULE-7976618393,EMOLS-id_322628162	384.492	IIPJBCUYGPNECG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116987
c1(NC(=O)C2CCCO2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1893025482,EMOLS-id_334331054	384.492	ZAODLGCPORCRFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116988
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6827476964,EMOLS-id_334332325	384.492	IXEWBPPOHVFPKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116989
c1(NC(=O)C=Cc2ccc(cc2)OCCCC)sc2c(CCC2)c1C(=O)N	MCULE-2851250852,PC-id_73552179	384.492	OTOCWIZQGWMPLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116990
c1(NC(=O)C=Cc2ccccc2OCCCC)sc2c(CCC2)c1C(=O)N	MCULE-8283267711,PC-id_73568430	384.492	AEHAVEFIFFKWJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116991
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9098596309	384.492	GOJDUDRQWBGCDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116992
c1(NC(=O)COc2ccc(cc2C(C)(C)C)OC)sc2c(CCC2)c1C#N	EMOLS-id_322625857,MCULE-8273744701	384.492	MXDWQWBGXNGDCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116993
c1(NC(=O)NC(C)(C)c2cccc(C(=C)C)c2)sc2c(CCC2)c1C(=O)O	EMOLS-id_179129502,MCULE-6188460847,PC-id_28860257	384.492	AKQSCADCKGIGOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116994
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	PC-id_1516723,ZINC22_1439612,CoCoCo_880419	384.492	LOQZNYQLBITHQE-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116995
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	ZINC22_1439613,PC-id_1516724,CoCoCo_880418	384.492	LOQZNYQLBITHQE-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116996
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)c1	ZINC22_702642,CoCoCo_347115,PC-id_1033254	384.492	XYEJGFCWZVSQCM-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116997
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)c1	ZINC22_702643,CoCoCo_347114,PC-id_1033255	384.492	XYEJGFCWZVSQCM-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-116998
Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-2913494986,CoCoCo_4057301,ZINC22_18468058,PC-id_27953602,EMOLS-id_24968051	384.492	GFOCSMZRXFQZGH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-116999
CC(OC(=O)c1c(C)cn2c1SCC2=CC(=O)N(Cc1ccccc1)C)C	PC-id_139819444	384.492	YEVGVAXDBRVUBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117000
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)N(C)C)sc2c1CCC2	CoCoCo_3268285	384.492	TXVJYOQALNXXQD-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117001
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)N(C)C)sc2c1CCC2	EMOLS-id_43827614,MCULE-4927869241,PC-id_5116461	384.492	TXVJYOQALNXXQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117002
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)N(C)C)sc2CCCc12	ZINC22_3175849,EMOLS-id_46209970,PC-id_2312576,CoCoCo_3268284,ChemDIV3237-0637	384.492	TXVJYOQALNXXQD-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117003
COc1ccc(cc1NC(=O)C1CCCN1C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_189727153,MCULE-8438847746	384.492	DPYRGXONPCJHHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117004
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_117709195	384.492	DPYRGXONPCJHHQ-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117005
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_117709197	384.492	DPYRGXONPCJHHQ-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117006
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2CCCc12	EMOLS-id_334387227	384.492	GOJDUDRQWBGCDQ-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117007
COC(=O)c1ccc(cc1)N1CCN(C(C1)C)C(=O)c1sc2c(c1)CCC2	PC-id_86876274	384.492	PUDKYYSLVRIJQA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117008
COC(=O)c1cccc(NC2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1	EMOLS-id_50340251,MCULE-5380793792,PC-id_99605204,ZINC22_124140584	384.492	PXFNMLGTBHRQRV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-117009
s1c2CCCc2cc1C(=O)OC(C(=O)N1CCN(CC1)c1ccccc1)C	PC-id_78660068	384.492	FNJBRUBJTXGXSL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117010
s1c2CCCc2cc1C(=O)OCC(=O)N1CCN(CC1)Cc1ccccc1	PC-id_18156626	384.492	XGKDSSHWHVETDM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117011
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1	PC-id_7158864	384.492	CUYDBKOGDWFMDH-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-117012
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N1CCN(CC1)c1ccccc1)C	PC-id_8306011	384.492	FNJBRUBJTXGXSL-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117013
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1ncccc1	PC-id_18135357	384.492	MANSRKFUWJBDBG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-117014
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc(OCCCC)cc1)C(=O)N	PC-id_19175463	384.492	OTOCWIZQGWMPLX-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117015
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OCCCC)cccc1)C(=O)N	PC-id_19202128	384.492	AEHAVEFIFFKWJS-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117016
s1c2c(CCC2)c(c1NC(=O)CN1C(CCC1)c1ccccc1)C(=O)OC	PC-id_18137741	384.492	GOJZNZKUDTUYEV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-117017
c1(NC(=O)C(=O)NCC(OCC)OCC)c2CSCc2nn1C(C)(C)C	PC-id_7685485,MCULE-1146516137,ChEMBL-DNDi_CHEMBLF2780-0704,CoCoCo_5184695,EMOLS-id_5617878,ZINC22_5438125	384.494	BJXSAKRUGASOMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117018
CC1OC(C)CN(C1)C(C(=O)NS(=O)(=O)c1cnc2n1CCC2)C(C)C	EMOLS-id_110389614	384.494	QGSCLNAAESYCGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117019
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)CCS(=O)(=O)C)C2	ZINC22_1565555666,EMOLS-id_313736148	384.494	MSLQTWXCDQHWRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117020
s1c2CCCc2cc1C(=O)OCC(=O)NCCN1C(=O)CSC1=S	PC-id_7623931	384.494	HPKMFMVITHRILL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117021
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3C)C2)n(C)nc2CSCc12	MCULE-3062864152,EMOLS-id_334565307	384.495	GLZYUNKGVFEZGG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117022
c1(NC(=O)C2CC(=O)N(Cc3ccc(cc3)CC)C2)n(C)nc2CSCc12	MCULE-8764663577,PC-id_134704765,EMOLS-id_316197338	384.495	QPHPOZIKXGQHMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117023
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)Cc1ccccc1	PC-id_17589302,ZINC22_20624161,EMOLS-id_4770825,STOCK6S-29545,MCULE-8674047600	384.495	USEKOWYEOINZAG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117024
Cc1cccc(c1)NC(=O)N1CCCC(C1)C(=O)Nc1sc2c(n1)CCC2	MCULE-7100587449,EMOLS-id_48774521,PC-id_75415537	384.495	FHKQSSUIBMQLOI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117025
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)CCC4)C2)c1	PC-id_94155242,ZINC22_47828256	384.495	FHKQSSUIBMQLOI-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117026
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCC4)C2)c1	PC-id_94155243,ZINC22_47828259	384.495	FHKQSSUIBMQLOI-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117027
CCc1ccc(CN2C[C@@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1	ZINC22_1529155304	384.495	QPHPOZIKXGQHMA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117028
CCc1ccc(CN2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1	ZINC22_1529155305	384.495	QPHPOZIKXGQHMA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117029
N#Cc1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110067	384.495	MLETXUXUUGEOBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117030
O=C(N1CCN(CC1)C(=O)c1ccccc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_101999946	384.495	GMIDRVRROIUGKI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117031
O=C(Nc1sc2c(n1)CCC2)CN1CCCN(CC1)C(=O)c1ccccc1	PC-id_99597074	384.495	BYCUPZVBQAIBCN-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-117032
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)N	PC-id_27134906	384.495	QOZOIRAOSMWNCY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117033
S1Cc2c(NC(=O)C3CCCC3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053382	384.495	MMEWIQLIOMQXLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117034
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CSc1sc(N)nn1	CoCoCo_2927937,EMOLS-id_3218859,ZINC22_2647969,PC-id_2111085,TIMTEC562166,MCULE-3725189277	384.497	XYZASDQAKGHHFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117035
s1c2c(CCC2)c(c1NC(=O)CCSc1sc(nn1)N)C(=O)OC	PC-id_17047450	384.497	XCKMRQZKZWXGAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117036
N#Cc1c(NC(=O)CCN2CCN(CC2)c2nccn2C)sc2c1CCC2	EMOLS-id_100035714	384.498	OLJIPFUGDHNOQG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117037
N#Cc1c(NC(=O)C(N2CCCC(C2)c2n[nH]c(n2)C)C)sc2c1CCC2	EMOLS-id_98956570	384.498	XKDRNJDDCKWURR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117038
N#Cc1c(NC(=O)C(N2CCCC(C2)Cn2ccnn2)C)sc2c1CCC2	EMOLS-id_101037664	384.498	LHRZBCDGGGXOJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117039
N#Cc1c(NC(=O)C(N2CCC(CC2)Cn2ccnn2)C)sc2c1CCC2	EMOLS-id_97866962	384.498	DVEFVWSSQMLGDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117040
N#Cc1c(NC(=O)C(N2CCN(CC2)c2cnn(c2)C)C)sc2c1CCC2	EMOLS-id_100068570	384.498	MHBVEMOZHKXZDQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117041
N#Cc1c(NC(=O)C(N2CCN(CC2)c2nccn2C)C)sc2c1CCC2	EMOLS-id_98188921	384.498	OOYBSFPMHTUZGE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117042
N#Cc1c(NC(=O)C(N2CCN(CC2)Cc2[nH]ccn2)C)sc2c1CCC2	EMOLS-id_99224272	384.498	AUDLVAVZASQMGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117043
s1c2CCCc2nc1NC(=O)CCn1c(nnc1[S-])c1cc(ccc1)C	PC-id_33040225	384.498	ZELMVOBQPKMNCI-UHFFFAOYSA-M	00000010100000110001100010000000000000000000000000000000	25-01-117044
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1(CCCC1)c1ccccc1	MCULE-9930654656,EMOLS-id_328212604	384.513	UDBNRKAJWSSSMQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-117045
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC1(CCC1)c1ccccc1	EMOLS-id_328217200,MCULE-9155068697	384.513	QZFOJTRVDIQOBG-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-117046
c1(c2CCCc2sc1NCc1cccs1)C(=O)Nc1ccccc1OC	EMOLS-id_1439553,Chemmine_12760,PC-id_1166851,ZINC22_920841,CoCoCo_306036,MCULE-9939853126	384.515	LZFGXTANTYDAHL-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-117047
c1(c2CCCc2sc1NCc1cccs1)C(=O)Nc1ccc(cc1)OC	PC-id_1082683,CoCoCo_345100,ZINC22_798214,MCULE-2472267635,EMOLS-id_1476187,BAS-06100829	384.515	SBQUZSLUECHAER-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-117048
CC(C)(c1cccs1)c1c2c(c([nH]1)O)C(=NC2=O)C(C)(C)c1cccs1	PC-id_137031528	384.515	ZIQGWJPBYZZRPW-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-117049
O(CCN1CCCC1)c1c(OC)cc(CN(Cc2n[nH]c3c2CCC3)C)cc1	PC-id_46989753	384.515	KCYPWWVEIQYWFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117050
s1c2c(CCC2)c(c1NC(=O)CC[NH+](Cc1c(OC)ccc(c1)C)C)C#N	PC-id_25471506	384.515	DTTYNSCXBGQLMY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117051
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)Nc1cc(ccc1)C	PC-id_7280792	384.515	RFEFQJXSMNBRNK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117052
s1c2c(c(C(=O)N3CC[NH+](CC3)C)c1NC(=O)c1c(cccc1)C)CCC2	PC-id_3297219	384.515	NNTUJGLWUGDPQO-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117053
s1c2c(c(C(=O)N3CC[NH+](CC3)C)c1NC(=O)c1cc(ccc1)C)CCC2	PC-id_6982372	384.515	OQODFMFPJDCROU-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117054
s1c(C(=O)N2CC[NH+](CC2)CC(=O)NCc2ccccc2)cc2CCCc12	PC-id_37280776	384.515	GZWKXXZQOPAFIS-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117055
c1(c(C)nc(c2ccnc(CCC)c2)s1)C(=O)Nc1sc2c(CCC2)n1	STOCK7S-23820,PC-id_56763271,EMOLS-id_36516104,MCULE-4965757471,ZINC22_71288702	384.518	ZMVFWIGKNLWEPK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-117056
CC(C)C[C@H](CNC(=O)NCc1nnc2n1CCC2)N[C@@H](C)c1ccccc1	PC-id_96522651,ZINC22_78974054	384.518	FBIFOPNODQQNCO-FUHWJXTLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117057
CC(C)C[C@@H](CNC(=O)NCc1nnc2n1CCC2)N[C@H](C)c1ccccc1	PC-id_96522652,ZINC22_78974063	384.518	FBIFOPNODQQNCO-AEFFLSMTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117058
CC(C)C[C@H](CNC(=O)NCc1nnc2n1CCC2)N[C@H](C)c1ccccc1	PC-id_96522653,ZINC22_78974069	384.518	FBIFOPNODQQNCO-SJLPKXTDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117059
CC(C)C[C@@H](CNC(=O)NCc1nnc2n1CCC2)N[C@@H](C)c1ccccc1	ZINC22_78974048,PC-id_96522650	384.518	FBIFOPNODQQNCO-WMZOPIPTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117060
CC(CC(NC(c1ccccc1)C)CNC(=O)NCc1nnc2n1CCC2)C	MCULE-3153605476,PC-id_72110556,EMOLS-id_43398521	384.518	FBIFOPNODQQNCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117061
CCNC(=NCc1ccc(cc1OC(CC)C)C)NCc1nnc2n1CCC2	PC-id_109678977	384.518	RFLQGAMBBYYUGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117062
CCNC(=NCc1nnc2n1CCC2)NC(c1ccc(cc1)OCC(C)C)C	PC-id_109748613	384.518	AYMUJGSBAXNXCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117063
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)C(C)(C)C)O	PC-id_109492979	384.518	WZGSECCNLYUHNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117064
S1CCn2c1nc(c2)CNc1nc(SCc2c(cccc2)C)nc(N)c1	PC-id_72919397	384.522	HYVVFHZCIBDGTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117065
c1(C(=O)N(CCC)CCC)c2CCCc2sc1NC(=O)c1ccccc1C	EMOLS-id_1341468,ZINC22_722345,TIMTEC36341,MCULE-7586590016,PC-id_1047306,CoCoCo_203782,BAS-01533136,SPECS-id_AG-667/13587032,ChEMBL-DNDi_CHEMBL3261-1091	384.535	OHMBVRSPDJMJOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117066
c1(C(=O)N(CCC)CCC)c2CCCc2sc1NC(=O)c1cccc(C)c1	CoCoCo_5986956,MCULE-7615405909,EMOLS-id_1128255,ZINC22_1218963,ChEMBL-DNDi_CHEMBL3759-1438,PC-id_1371963	384.535	JCCQRZVLRUKRPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117067
c1(NC(=O)CC(C)(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3975391583,EMOLS-id_334328747	384.535	WCHHSKMNFXMBRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117068
Cc1ccc(C2(O)CCN(CCNC(=O)c3cc4c(s3)CCC4)CC2)cc1	SYN-15774005,CoCoCo_479347,CoCoCo_479348,ZINC22_12291110,PC-id_16673063	384.535	OROCQHPVZWBEEO-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-117069
COc1ccc(cc1)C(N1CCCCC1)CNC(=O)c1sc2c(c1)CCC2	PC-id_16380505,MCULE-9285053834,EMOLS-id_11842500	384.535	VPZWIFKFXUJLOI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-117070
COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCC3)N2CCCCC2)cc1	PC-id_25382798,ZINC22_12594106,CoCoCo_3643737	384.535	VPZWIFKFXUJLOI-IBGZPJMESA-N	00000010100010110000000010000000000000000000000000000000	25-01-117071
COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCC3)N2CCCCC2)cc1	ZINC22_12594104,PC-id_25382794,CoCoCo_3643736	384.535	VPZWIFKFXUJLOI-LJQANCHMSA-N	00000010100010110000000010000000000000000000000000000000	25-01-117072
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)C(S(CC)(C)C)(C)C	SCHEMBL19312225	384.537	SJARPTOBLRGELW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117073
CC(SCCOCn1nc2c(c1N)CN(C2(C)C)C(=O)OC(C)(C)C)C	SCHEMBL18155650,PC-id_122626109	384.537	XCJCZXOLZHJSSD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117074
CC(SCCOCn1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)N)C	PC-id_122626108,SCHEMBL18155648	384.537	HRGZLJNEWBCZDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117075
s1c2c(CCC2)c(c1NC(=O)C(SC1=NCCS1)C)C(=O)OCC	PC-id_24104147	384.537	MSXKTVWOPWJJJA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-117076
S1(=O)(=O)c2c(C(=C1)NCCSCc1oc(CN(C)C)cc1)csc2	PC-id_146835	384.537	XWWRTZCTNGSLNN-UHFFFAOYSA-N	00000011101000000000000010000000000000000000000000000000	25-01-117077
CCNC(=NCc1nnc2n1CCC2)N1CCC(C1)CSc1ccccc1	PC-id_111748876	384.542	WUXHOILBEXNQFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117078
S(c1nc2n(N=C(C(C)(C)C)/C/2=N/c2c(cc(N(CC)CC)cc2)C)n1)C	PC-id_11153342	384.542	POCJDEFLUKDNLN-PGMHBOJBSA-N	00000011100000110001000010000000000000000000000000000000	25-01-117079
s1c2CCCc2c(c1NC(=O)CSc1cc(C(C)(C)C)ccc1C)C#N	PC-id_3568409	384.558	PWMMOXDMMHBWLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117080
O=S(=O)(c1cnc2n1CCC2)NCC1(CCCCC1)N1CCSCC1	EMOLS-id_100182648	384.56	YGEFLJHUJCQZQM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117081
C[C@@H](c1sc2c(c1C)N(CC2)Cc1c(C)cc([nH]c1=O)C)C1CCCCC1	SCHEMBL21441561,PC-id_139563512	384.578	ZOEDHTQUDWTKII-MRXNPFEDSA-N	00000010100010101000000010000000000000000000000000000000	25-01-117082
CC1(CCC(=C(C1)N)C(=C1C=c2c(=N1)cc(s2)CNC1CCCCC1)N)C	PC-id_90077366	384.581	UXEAYZLKFLZDDC-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-117083
CCCC(/C(=C(/c1c(C)sc2c1CCC2)c1cccs1)/C(=C/CC)/C)C	PC-id_144088382	384.641	MSYSGKYTERFFAU-MUKNIXSHSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117084
CC1=Cc2c(C1[Si](C1C(=Cc3c1c(C)sc3C)C)(C)C)c(sc2C)C	PC-id_101188352	384.673	AJFULDBKRYCSJB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-117085
CC(C)C1=Cc2c(C1[Si](C)(C)C1c3c(C=C1C(C)C)scc3)ccs2	PC-id_91261973	384.673	HISIZISSAHRKDJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-117086
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1Cl)Br	PC-id_105038029	384.761	VTQYRYUAZYEPPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117087
C[C@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1nnc2n1CCC2	ZINC22_84667967	384.783	PBTHAKDXMHDKRW-STUBTGCMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117088
C[C@@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1nnc2n1CCC2	ZINC22_84667968	384.783	PBTHAKDXMHDKRW-BREXMAIKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117089
Clc1c(cc(C=CC(=O)NC(c2n3CCCc3nn2)C)cc1)C(F)(F)F	PC-id_71896179,MCULE-7131546155,EMOLS-id_44529572	384.783	PBTHAKDXMHDKRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117090
Clc1c(cc(/C=C/C(=O)NC(c2n3CCCc3nn2)C)cc1)C(F)(F)F	PC-id_75362629	384.783	PBTHAKDXMHDKRW-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117091
CN=C(NCc1nnc2n1CCC2)NCc1cc(Cl)ccc1OC(F)F	PC-id_111708893	384.811	AYFRVZHDKUGENF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117092
CCOC(=O)n1c(c2CN(C(c2n1)C)C(=O)Cl)NC(=O)C1CCCCO1	SCHEMBL15256529,PC-id_89803933	384.815	PXWGCYJKMBXGDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117093
CCOC(=O)n1nc2c(c1NC(=O)C1CCCO1)CN(C2(C)C)C(=O)Cl	SCHEMBL1205748,PC-id_57523208	384.815	XVTXTVWPDOPKNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117094
Clc1c(c2nn(nn2)CC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_8553230	384.843	SFGDWHDNFPSOPL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117095
Fc1ccc(c(c1)Cl)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100213984	384.856	KYBVLLKQNOKVSU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117096
Br[C@@H]1C[C@H](c2c1c(Br)sc2Br)Br	PC-id_102378765,CoCoCo_5770728	439.788	IKESWEOGHPMERW-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139312
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(C)(OC)Cl)NC(=O)C1CC1	SCHEMBL15256537,PC-id_89803941	384.858	VSNBNLIDNBGVPL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-117097
Clc1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_7521506	384.858	HFJUVWFWHNOVRC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117098
Clc1sc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_7146595	384.858	YJOTYHVYBVTMHU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117099
c1(CN(Cc2ccco2)C(=O)Nc2ccccc2Cl)c2CCCc2n(C)n1	MCULE-3450747425,PC-id_86266542,EMOLS-id_50145258	384.859	DWRARESYPYOYRJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117100
Clc1cccc(c1)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109565	384.859	RKYWQNIIGWJBFQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117101
ClCCCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1ccc(cc1)C	PC-id_76311983	384.859	AWSCIVJDVNEEAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117102
N#Cc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101421672	384.863	QNDOKLBPMAILGH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117103
Clc1cc(F)c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_20412300	384.876	KHZDDDATDICUAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117104
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1F	PC-id_8748188	384.876	WEUQNLBNXJKYRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117105
Clc1cc(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1F	PC-id_8680469	384.876	FNCISMQQVKUCNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117106
Clc1n(nc(c1C=NNC(=O)c1sc2CCCc2c1)C)c1ccccc1	PC-id_85015562	384.882	KGOLHVNVODSPMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117107
ClC(=CC1Sc2n(N1)c(nn2)Cc1ccccc1)c1ccc(OC)cc1	PC-id_10500280	384.882	KTFGYEPGCLIMDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117108
Clc1cn(nc1)CCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_20176987	384.904	OSNUYDGLLSWKMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117109
Clc1sc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_41067218	384.924	JVMMGJMWKABYME-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-117110
CN(C)Cc1ccc(CSCCNC2=NS(=O)(=O)c3cscc32)o1	PD161997,SCHEMBL10809008,PC-id_135413499	385.06	CPQCBGMVDITBNW-UHFFFAOYSA-N	00000011101000000001000010000000000000000000000000000000	25-01-117111
CC(C)(C)n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CS(=O)C2	ChEMBL-DNDi_CHEMBL1575998,ChEMBL-DNDi_CHEMBLF0561-0532,PC-id_2160393,PD110090	385.11	FZHJVVMNKDQLDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117112
CC1=C(C=NN1)S(=O)N2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4	PC-id_164872306	385.121	YWPDFKFPCLLABN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117113
CC(C(C1=CC=CC=C1)C(=O)N2CC3=CN(N=C3C2)S(=O)C4=CNN=C4)O	PC-id_164872024	385.121	BTLIFPAGWCNCTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117114
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CN(N=C3)CCF	PC-id_164931982	385.122	QOGNYCPYVJFQDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117115
CC1=C(C=NN1CC(F)F)SN2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164871997	385.138	RRXZUAPXBQSHNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117116
CC1=CN(N=C1SN2C=C3CN(CC3=N2)C(=O)OC(C)(C)C)CC(F)F	PC-id_164872321	385.138	SYVYTUURPSZKTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117117
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](C)C3=CC=CC=C3C	PC-id_164872066	385.146	JYFLJIRLIGONBN-DGMYMGAOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117118
CN1C=C(N=C1)[C@@H]2CN(C[C@H]2C(=O)NC3CC3)C(=O)C4=NC5=C(S4)CCC5	PC-id_154768692,EMOLS-id_317341955,MCULE-8156331719	385.157	QJOVFMNQJCSZGY-CHWSQXEVSA-N	00100010100000000001100010000000000000000000000000000000	25-01-117119
C1Cc2c(c(c(n2C1)C(=O)Nc1cc(c(cc1)F)Cl)Cl)C(=O)C(=O)O	PC-id_134285122,SCHEMBL19900822	385.174	DQTKZLFBOGRERQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117120
CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=NN4CCOC4=C3	PC-id_154758668,MCULE-2135344664,EMOLS-id_257913434	385.175	NESRMOZXELDAPR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117121
COc1ccc(c(c1F)CNc1nn(c2c1CNC2)C(=O)O)Br	PC-id_118482539,SCHEMBL17221724	385.188	QCRILSBOOKZRAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117122
CC1=Nn2c(c(c(n2)C(C)(C)C)N=NC2=C(C(=N[NH+]2[O-])C(C)(C)C)C#N)[NH+]1[O-]	PC-id_164072040	385.197	WQANUQCDQDWRSP-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-117123
CC1=CC(=C(N1)C(=O)N2CCCOC(C2)CNC(=O)C3=C4CCCC4=CO3)C	PC-id_154796501	385.2	XLBUEJBOJGEXSR-UHFFFAOYSA-N	00000010110000000101000010000000000000000000000000000000	25-01-117124
O=C(N1CCn2c1ccn2)c1cnn(c1I)C(C)(C)C	EMOLS-id_278167847	385.204	KXQIGQSAKLJUBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117125
CCCCNC(=O)N1CC2=C(C1(C)C)NN=C2NC(=O)OCC3=CC=CC=C3	PC-id_153159108	385.211	WBZQXYIKZWZRQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117126
CC1CCc2c1c(CN)nn2Cc1cc(F)ccc1I	EMOLS-id_331014387,MCULE-5742427292	385.218	CMDZNRMTEGUTOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117127
CC1CCc2c1c(CN)nn2Cc1c(F)cccc1I	EMOLS-id_331018226,MCULE-3893520642	385.218	WSZKHCYOSWMHRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117128
CC1CCc2nn(Cc3cc(F)ccc3I)c(CN)c12	MCULE-2404687292,EMOLS-id_330996157	385.218	REFVFLPYKCCBKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117129
CC1CCc2nn(Cc3c(F)cccc3I)c(CN)c12	MCULE-3994741107,EMOLS-id_330995901	385.218	BVFOUFXNVDFUJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117130
c1(NC(=O)c2ccccc2I)n(C)nc2CSCc12	MCULE-6060081076,EMOLS-id_334567346	385.223	UMDHKUIEYMEWQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117131
[B](C1=C2CCCN2N=C1COCC3=CC=C(C=C3)OC)OC(C)(C)C(C)(C)O	PC-id_164761845	385.23	ARGBXKISTHYKPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117132
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)Cc1c(C)noc1C	EMOLS-id_278913358	385.233	OJIYBDREXTXXSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117133
Brc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	SCHEMBL2923050,PC-id_68442254	385.236	ZEBLHXGTXCPYFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117134
CC1Cn2c(O1)nc(c2OC(c1ccccc1)c1ccccc1)Br	PC-id_101246595	385.254	LNBIBDHZMCLZLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117135
c1(C(=O)c2ccc(cc2)Br)n2CCCc2c(C#N)c1N=CN(C)C	MCULE-8542701596	385.258	XRCQUZUWEVFPOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117136
CC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccc(Br)cc1)CCC2	CHEMBL4460448	385.258	NBWUXYDEYSKQGH-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117137
CN(C)/C=N/c1c(C#N)c2CCCn2c1C(=O)c1ccc(Br)cc1	CoCoCo_604920,EMOLS-id_25845236,PC-id_2834658,ZINC22_4957934	385.258	XRCQUZUWEVFPOR-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117138
N#Cc1c2CCCn2c(c1/N=CN(C)C)C(=O)c1ccc(cc1)Br	CoCoCo_604921	385.258	XRCQUZUWEVFPOR-NHDPSOOVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117139
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)N	SPECS-id_AP-970/43375908,PC-id_3161406,BAS-11780875,MCULE-1966439431,SPECS-id_AM-879/MD24042,EMOLS-id_1532668,SPECS-id_AN-153/I263449,ZINC22_4487829,CoCoCo_398478	385.265	SQPZRCSFKIXHFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117140
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)N	EMOLS-id_4062802,PC-id_4633356,ZINC22_2759747,CoCoCo_3169708,MCULE-2020918882,TIMTEC288404	385.265	LLHMEHBBTDETTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117141
c1(NC(=O)Nc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)OC	CoCoCo_742462,EMOLS-id_1128269,Chemmine_20573,PC-id_1371591,MCULE-9632282798,ZINC22_1218478,TIMTEC305825	385.265	MEWMFJGOWKYOFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117142
Cc1c(Cl)cnc(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1Cl	PC-id_4518727,ZINC22_5966323	385.265	JCZLAXGHPKHPLW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117143
Cc1nc(NC(=O)COC(=O)c2cc3c(s2)CCC3)c(Cl)cc1Cl	EMOLS-id_3411953,ZINC22_5308125,MCULE-2170222449,PC-id_5214309,CoCoCo_2840741	385.265	ANKFTNDBASNILP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117144
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ncc(Cl)cc1Cl	PC-id_8850806,ZINC22_7735833,CoCoCo_2840833	385.265	QRURNDZGEHTOLX-QMMMGPOBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117145
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ncc(Cl)cc1Cl	ZINC22_7735834,CoCoCo_2840832,PC-id_8850807	385.265	QRURNDZGEHTOLX-MRVPVSSYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117146
Clc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)cc(Cl)c1OC	PC-id_24487359	385.265	IMNQPBGVOMBYOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117147
Clc1cc(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1Cl	PC-id_7631013	385.265	IBRQZAJVJNZZLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117148
Clc1cc(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(Cl)c1	PC-id_38895449	385.265	PNJMRNUSZKMEQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117149
Clc1cnc(c(c1)Cl)NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	PC-id_3593521,EMOLS-id_43413376,MCULE-5843909519	385.265	QRURNDZGEHTOLX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117150
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1Cl	PC-id_32020281	385.265	MARWQQLVRONJLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117151
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(Cl)cc1	PC-id_7431834	385.265	BBFJBKDWAQGUTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117152
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(Cl)ccc1	PC-id_45735634	385.265	UMZPTSRRNYHGCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117153
Clc1c(OCC(=O)NNC(=O)c2sc3CCCc3c2)cc(Cl)cc1	PC-id_24563202	385.265	XBWQZFPRHZXWCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117154
COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_6641025,PC-id_4503429	385.265	YNGHWTWYTLNQSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117155
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)n(C)nc2CSCc12	MCULE-7414286141,EMOLS-id_334561717	385.268	JBEPHZBYSTVHDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117156
ClCN1Cc2c(C1)sc(c2C(=O)N)NC(=O)Nc1ccc(cc1)Cl	SCHEMBL18902097	385.268	HRDIMZJVGPFHOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117157
O=C(C1CCCN1C1CC1)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_278913218	385.276	IUYNVZHSPQVBPY-UHFFFAOYSA-N	00100010100000000000100010000000000000000000000000000000	25-01-117158
Brc1c(cc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1)C	PC-id_16588369	385.279	MQJMHXIEAATXBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117159
Clc1cccc(Cl)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328222834,MCULE-1944519331	385.286	QHKMHBWSWNQJNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117160
Clc1ccc(Cl)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-4535976707,EMOLS-id_328220529	385.286	UIXJWLOGEOMBPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117161
Clc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1Cl	EMOLS-id_328223090,MCULE-9286762881	385.286	FOVJSTXVRKAXQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117162
Clc1cc(Cl)cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-3849287154,EMOLS-id_328216948	385.286	HHEJQSJMCYPQOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117163
Clc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1Cl	MCULE-5607362132,EMOLS-id_328218737	385.286	LZURNCZYEVQATI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117164
Clc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(Cl)c1	MCULE-1193207095,EMOLS-id_328218226	385.286	JCTNDGVJBSWTRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117165
Brc1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1C	PC-id_80000477	385.299	JGDBLBFMMOCWLJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117166
c1(NC(=O)c2ccc(Br)s2)sc2c(CCC2)c1C(=O)NC	MCULE-3434661928,PC-id_7474997,ZINC22_5055697,CoCoCo_2590260,EMOLS-id_16349111,ChEMBL-DNDi_CHEMBLF1830-0040	385.299	VEWOHALQMQUBSR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117167
FC1CN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19584040	385.316	RRMSZVDTGMMEOA-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-117168
FC(F)(F)c1nn(c2c1CCC2)C(CC)C(=O)NC1=NC(=C(OC)[O-])N=N1	PC-id_74584616	385.321	KUFCKTNFGBLRGB-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-117169
FC(F)(F)c1nn(c2c1CCC2)[C@@H](CC)C(=O)NC1=NC(=C(OC)[O-])N=N1	PC-id_29092473	385.321	KUFCKTNFGBLRGB-QMMMGPOBSA-M	00000011100000000001000010000000000000000000000000000000	25-01-117170
FC(F)(F)c1nn(c2c1CCC2)[C@H](CC)C(=O)NC1=NC(=C(OC)[O-])N=N1	PC-id_29092475	385.321	KUFCKTNFGBLRGB-MRVPVSSYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-117171
CSc1cc2n(c1C(=O)c1ccc(cc1)C(F)(F)F)CCC2OC(=O)O	SCHEMBL10816886,PC-id_70450291	385.358	OEIRAZFSZAZNSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117172
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C(F)(F)F)S(=O)C	SCHEMBL10902640,PC-id_20235103	385.358	QJUGEFZYYDYUBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117173
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_4275094	385.358	HVMMBJHUHAPYLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117174
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1OC	EMOLS-id_324907019	385.361	ZEHDCEWQMXOZGW-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117175
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1OCC	EMOLS-id_324910090	385.361	GZAXBIVHTUTDEB-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117176
n12c(=O)c(=Cc3ccc(c(OC)c3)OCCC)sc1nc(C(F)(F)F)n2	MCULE-3613445817	385.361	ZEHDCEWQMXOZGW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117177
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCC)sc1nc(C(F)(F)F)n2	MCULE-3270498272	385.361	GZAXBIVHTUTDEB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117178
NC(=O)c1c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCC2	CoCoCo_3155537,ZINC22_7166208,PC-id_3518659,MCULE-4200988268,EMOLS-id_43794699	385.361	UKTIKVNTQNTWIM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117179
O=C(c1ccc(nc1)OCC(F)(F)F)NNC(=O)c1sc2c(c1)CCC2	PC-id_24607744,EMOLS-id_30242632,MCULE-9653934609	385.361	BBFZQJDUFRLWRQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117180
O=C(Cn1cccc(c1=O)C(F)(F)F)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_44065901,PC-id_32402944,MCULE-3148888759	385.361	HTAOAADHHNWIKX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117181
FC(Oc1ccc(cc1)C(c1ccccc1)NC(=O)c1nn2c(c1)OCC2)F	MCULE-4872499654,EMOLS-id_316787171	385.364	WFDDWPLMMDOVEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117182
O=C(N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cc2n(n1)CCO2	ZINC22_888091557	385.364	WFDDWPLMMDOVEX-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117183
O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cc2n(n1)CCO2	ZINC22_888091563	385.364	WFDDWPLMMDOVEX-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117184
FC(F)(F)c1ccc(c2cc(CC3CCc4[nH]c(cc34)C(=O)O)ccc2)cc1	SCHEMBL2076657,PC-id_59180065	385.379	UHZWHGTWWRUQRT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-117185
COCn1nc(C)c(NC(=O)C(C)n2nc(c3CCCc23)C(F)(F)F)c1C	MCULE-2524880567,PC-id_19591198,EMOLS-id_8867936	385.384	CBHTZLYLWICHCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117186
COCn1nc(C)c(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c3c2CCC3)c1C	PC-id_51853284,ZINC22_36614162	385.384	CBHTZLYLWICHCC-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117187
COCn1nc(C)c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c3c2CCC3)c1C	ZINC22_36614163,PC-id_51853285	385.384	CBHTZLYLWICHCC-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-117188
Cc1ccc(OCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324868102	385.387	JGUGHUPPLLEBMN-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117189
Cc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324867590	385.387	CDPYHXKRAZHFQT-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117190
Cc1ccc(OCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1	EMOLS-id_324868619	385.387	XNFQWHJWZJRLQY-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117191
Fc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1F	EMOLS-id_324849405	385.387	NTWSVHTYONDBIK-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117192
Fc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c(F)c1	EMOLS-id_324845822	385.387	GNWRJRBHMJVQRD-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117193
Fc1ccc(F)c(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324850419	385.387	YMZXYHOTSMDJAY-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117194
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)CCOc1ccccc1	MCULE-5949037196	385.387	GNWRJRBHMJVQRD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117195
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1ccc(cc1)C	MCULE-1190696722	385.387	JGUGHUPPLLEBMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117196
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)CCOc1ccccc1	MCULE-1065046866	385.387	NTWSVHTYONDBIK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117197
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1ccc(cc1)C	MCULE-6160433760	385.387	CDPYHXKRAZHFQT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117198
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CCOc1ccccc1	MCULE-8534432143	385.387	YMZXYHOTSMDJAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117199
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)COc1ccc(cc1)C	MCULE-1826034550	385.387	XNFQWHJWZJRLQY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117200
Cc1nc(=O)n(cc1)C1C(C(C(O1)CN1Cc2c(C1)sc(n2)N)O)(F)F	PC-id_88599831	385.389	VLYVFNICDIOHAH-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117201
Nc1sc2c(n1)CN(C2)C[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)C	SCHEMBL10360587	385.389	VLYVFNICDIOHAH-YUSALJHKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117202
c1(NC(=O)COc2ccc(cc2N(=O)=O)C(=O)C)sc2c(CCC2)c1C#N	MCULE-3745812765,EMOLS-id_323566904	385.394	BWGOFKZOVHQAIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117203
s1c2CCCc2cc1C(=O)OC(c1oc(nn1)c1ccc([N+](=O)[O-])cc1)C	PC-id_78604574	385.394	ZEMPXMYRXSJKOC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117204
s1c2CCCc2cc1C(=O)O[C@H](c1oc(nn1)c1ccc([N+](=O)[O-])cc1)C	PC-id_8095835	385.394	ZEMPXMYRXSJKOC-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-117205
s1c2CCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1ccc([N+](=O)[O-])cc1)C	PC-id_8095836	385.394	ZEMPXMYRXSJKOC-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117206
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(c([N+](=O)[O-])cc1)C)C#N	PC-id_1662502	385.394	SGEPKCKSTNSGFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117207
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(c([N+](=O)[O-])ccc1)C)C#N	PC-id_1667700	385.394	RBBLHAUNOVXUBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117208
s1c2CCCc2c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])c(ccc1)C)C#N	PC-id_7569230	385.394	NKNUGLHWQNFEEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117209
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1c([N+](=O)[O-])cccc1)C#N	PC-id_8765780	385.394	KLHBPEMCHMVSOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117210
c12c(CCC1C(=O)OCC)sc(NC(=O)c1ccc(nn1)n1cncn1)n2	MCULE-6278043179,PC-id_71805189,EMOLS-id_46222603	385.4	RRIGADHQSLMYEH-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117211
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(n4cncn4)nn3)nc12	ZINC22_96097912,PC-id_97414835	385.4	RRIGADHQSLMYEH-SECBINFHSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117212
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(n4cncn4)nn3)nc12	ZINC22_96097913,PC-id_97414836	385.4	RRIGADHQSLMYEH-VIFPVBQESA-N	00000010100000100001100010000000000000000000000000000000	25-01-117213
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1CC(F)(F)F	CoCoCo_2840983,ZINC22_8329027,PC-id_9454020,EMOLS-id_11783022,MCULE-4419423379	385.401	HPTCBOKCNJIWCB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-117214
s1c2CCCc2cc1C(=O)Nc1c(OCCOC)ccc(c1)C(F)(F)F	PC-id_31820313	385.401	QPEQYZNAGIFWEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117215
O=[S@@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1cccc(c1)C(F)(F)F	PC-id_11863903,CoCoCo_4985399	385.404	FZHJVVMNKDQLDT-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-117216
O=[S@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1cccc(c1)C(F)(F)F	PC-id_11877752,CoCoCo_4985400	385.404	FZHJVVMNKDQLDT-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117217
[S@@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(cccc1)C(F)(F)F	PC-id_11883747	385.404	ADOZYEHMAQAWPQ-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117218
[S@]1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(cccc1)C(F)(F)F	PC-id_11883748	385.404	ADOZYEHMAQAWPQ-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-117219
S1(=O)Cc2c(n(nc2C1)C(C)(C)C)NC(=O)c1c(cccc1)C(F)(F)F	PC-id_3256144	385.404	ADOZYEHMAQAWPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117220
Fc1ccc(c(c1)F)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109535	385.407	KNYALGFVQGQSEJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117221
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1ccc(F)cc1	PC-id_42982293	385.409	RXRCMTLYTBSAOR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-117222
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)OC(=O)OC(C)(C)C	SCHEMBL17369574,PC-id_118604667	385.41	FLJYARBMJMOFMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117223
c12c(CCC1C(=O)NCc1ccco1)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947224,MCULE-6656102016,EMOLS-id_12346509	385.412	QEICDNQLHRTJBX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117224
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COc1ccc(cc1)c1ccc(cc1)F	PC-id_137631682	385.412	OKSGGYFLUQQQDC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117225
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccco1)c1ccc(F)cc1	CoCoCo_5124756,PC-id_40945468,ZINC22_9131534	385.412	QEICDNQLHRTJBX-CQSZACIVSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117226
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccco1)c1ccc(F)cc1	CoCoCo_5124757,ZINC22_9131535,PC-id_40945469	385.412	QEICDNQLHRTJBX-AWEZNQCLSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117227
c1(NC(=O)Cn2c(=O)ccc(c3ccccc3F)n2)n(C)nc2CSCc12	ZINC22_61717433,PC-id_52897411,STOCK7S-11440,EMOLS-id_35782385,MCULE-4940894812	385.415	UGTTZPZAMFUDCZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117228
c1(NC(=O)Cn2c(=O)ccc(c3ccc(cc3)F)n2)n(C)nc2CSCc12	ZINC22_61717562,EMOLS-id_35782639,MCULE-1392745657,STOCK7S-11594,PC-id_52897571	385.415	DOTYGGDIVRVHKL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117229
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1nc(cs1)c1ccc(cc1)F	PC-id_87424303,SCHEMBL2697375	385.415	URXQBDYPFFKOQU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117230
Nc1nc(COC(=O)c2cc3c(s2)CCC3)nc(Nc2ccc(F)cc2)n1	PC-id_27246222,ZINC22_16627286,MCULE-6569287984,EMOLS-id_25027943,CoCoCo_4305627	385.415	HOBBBPIQORWEET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117231
c12nc(nn1C(C(=O)N2)CC(=O)Nc1ccc(cc1)C(=O)OCCCC)CC	STOCK6S-85753,PC-id_135649922,EMOLS-id_27459742,MCULE-1933787043,SPECS-id_AN-153/NB21583	385.417	ODLNAKADWZFRJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117232
c1(c2CCCc2[nH]n1)C(=O)N1CCOCC(O)(CNC(=O)c2ccccn2)C1	PC-id_110123005,BDE-33703528,MCULE-9692670528,EMOLS-id_43281227	385.417	TUHMZALPOTYEHY-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-117233
Cc1ccc(cc1)C(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5543636,PC-id_23081654	385.417	HHTUXNKPSHJAND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117234
CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(CC)nn23)cc1	PC-id_135878692,ZINC22_31817110	385.417	ODLNAKADWZFRJF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117235
CCCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(CC)nn23)cc1	ZINC22_31817116,PC-id_135878693	385.417	ODLNAKADWZFRJF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117236
CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1cccc(c1)C(=O)OC(C)(C)C	SCHEMBL12307476,PC-id_58440691	385.417	KWQICRRCJNBWRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117237
COc1ccc(c(n1)OC)C(=O)N1Cc2c(C1)c(nn2C)C(=O)N1CCCC1	MCULE-4783241404,EMOLS-id_207862992	385.417	WFQOKFMHRFRRGL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-117238
COC(=O)C=Cc1ccc(c(c1)[N+](=O)[O-])NC(c1nnc2n1CCC2)C(C)C	MCULE-5994261965,PC-id_72101130,EMOLS-id_300637344	385.417	GDWFZSCZIUIJIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117239
COC(=O)/C=C/c1ccc(N[C@H](c2nnc3n2CCC3)C(C)C)c([N+](=O)[O-])c1	ZINC22_79063706	385.417	GDWFZSCZIUIJIN-KOEDOTQGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117240
COC(=O)/C=C/c1ccc(N[C@@H](c2nnc3n2CCC3)C(C)C)c([N+](=O)[O-])c1	ZINC22_79063710	385.417	GDWFZSCZIUIJIN-PDFOZTTASA-N	00000010100000110001000010000000000000000000000000000000	25-01-117241
O1C(CN2CCN(CC2)C(=O)Cc2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69482495,SCHEMBL5546582	385.417	HDWOBXNLOFCGMP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117242
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)COC(=O)N	SCHEMBL2924443,PC-id_68442827	385.417	VZVCANPPBVTDOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117243
O=C(NC[C@@]1(O)COCCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccn1	ZINC22_257307828	385.417	TUHMZALPOTYEHY-IBGZPJMESA-N	00000010100000101101000010000000000000000000000000000000	25-01-117244
O=C(NC[C@]1(O)COCCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccn1	ZINC22_257307829	385.417	TUHMZALPOTYEHY-LJQANCHMSA-N	00000010100000101101000010000000000000000000000000000000	25-01-117245
[O-][N+](=O)c1c(NC(c2n3CCCc3nn2)C(C)C)ccc(c1)/C=C/C(=O)OC	PC-id_75534457	385.417	GDWFZSCZIUIJIN-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117246
COc1cc(ccc1NS(=O)(=O)C)Nc1nc2n(c1[N+](=O)[O-])CCS2	PC-id_101656588	385.419	JKPSBRMLVWZKOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117247
O=C(N1Cc2c([nH]nc2NC(=O)C#Cc2ccccc2)C1)NCc1ccccc1	PC-id_68438857,SCHEMBL2913696	385.419	VOQXITFLHDOEMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117248
S1CCn2c1nc(Nc1c(OC)cc(NS(=O)(=O)C)cc1)c2[N+](=O)[O-]	PC-id_50878411	385.419	RQSJKOFVOJDKDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117249
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1sccn1)c2=O	MCULE-6485857653	385.42	OKMBVEMTGOUWGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117250
O=C(COc1ccccc1/C=c/1sc2ncnn2c1=O)Nc1nccs1	PC-id_117588413,ZINC22_256055646	385.42	OKMBVEMTGOUWGG-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117251
O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1cscc1C(F)(F)F	ZINC22_585114314,EMOLS-id_177345683,MCULE-3514775454	385.424	KDOMXRCMHOBARC-UHFFFAOYSA-N	00100010100100000000000010000000000000000000000000000000	25-01-117252
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccccc1)C(=O)OC	MCULE-6544549044,PC-id_2789264	385.434	MABMIEMRTWXWIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117253
COC(=O)C1CCc2sc(NC(=O)/C=C/c3ccccc3)c(C(=O)OC)c12	PC-id_5345401,EMOLS-id_25892597,TIMTEC301486,STOCK2S-59875,SPECS-id_AT-225/NB59660	385.434	MABMIEMRTWXWIK-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117254
COC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1[C@@H](CC2)C(=O)OC	CoCoCo_722241	385.434	MABMIEMRTWXWIK-BIRHUZIMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117255
COC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1[C@H](CC2)C(=O)OC	CoCoCo_722243	385.434	MABMIEMRTWXWIK-ZWXCPPHNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117256
COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_722240,ZINC22_943856,PC-id_1183650	385.434	MABMIEMRTWXWIK-YKWSONSWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117257
COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_943854,PC-id_1183648,CoCoCo_722242	385.434	MABMIEMRTWXWIK-RUNBWSAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117258
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccccc1)C(=O)OC	PC-id_24363469	385.434	FAHLXCSSZQQVAA-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117259
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccccc1)C(=O)OC	PC-id_74265205	385.434	FAHLXCSSZQQVAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117260
Cc1cc(c(cc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCC1)F	PC-id_134426740,SCHEMBL20060344	385.435	CULSGRBTJYSYEZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-117261
CCC1(CCC1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)Nc1c(ccc(c1)F)C	PC-id_134426760,SCHEMBL20060369	385.435	YBCOCTQQZOJPKH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-117262
CN(Cc1nnc2n1CCC2)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	PC-id_17428148,EMOLS-id_11986222,ZINC22_8753891,CoCoCo_4525758,MCULE-8688326492	385.435	WUMWUFHFZAYHSS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117263
C(=O)(c1ccc(cc1)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCNCC1	CHEMBL606187,BindingDB_PC-id_46228467,PC-id_46228467	385.435	CDEIEGNYDSWLCD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117264
Fc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101435163	385.435	OWRZXKVKUSELMZ-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-117265
Fc1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101435166	385.435	KPHDITIQFKNZCA-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-117266
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCCCC2)(C)C)cc1	PC-id_10407738	385.435	DCPJULQLXOMYLO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117267
Fc1c(CN2C(CC(=O)NCc3n[nH]c4c3CCC4)C(=O)NCC2)cccc1	PC-id_45241878,MCULE-7066399247,EMOLS-id_20705353	385.435	RRDZYGBQYUXVBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117268
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4n(n3)C[C@@H](F)C4)cc2)C1	ZINC22_1875289093	385.435	SDLSLVRPSPKJRC-CABCVRRESA-N	00000010100010110001100010000000000000000000000000000000	25-01-117269
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4n(n3)C[C@@H](F)C4)cc2)C1	ZINC22_1875289094	385.435	SDLSLVRPSPKJRC-GJZGRUSLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117270
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4n(n3)C[C@H](F)C4)cc2)C1	ZINC22_1875289095	385.435	SDLSLVRPSPKJRC-HUUCEWRRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117271
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4n(n3)C[C@H](F)C4)cc2)C1	ZINC22_1875289096	385.435	SDLSLVRPSPKJRC-LSDHHAIUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117272
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NCc1[nH]nc2c1CCC2	CoCoCo_1578428,CoCoCo_1578432,CoCoCo_1578430,CoCoCo_1578426	385.435	RRDZYGBQYUXVBV-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117273
O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1[nH]nc2c1CCC2	CoCoCo_1578431,CoCoCo_1578433,CoCoCo_1578427,CoCoCo_1578429	385.435	RRDZYGBQYUXVBV-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117274
O=C(N1CCN(CC1)C(=O)c1ccc(c(c1)F)C)NC1CC(n2c1ncc2)C	EMOLS-id_101436681	385.435	FGPYSGKTKFEMRH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117275
S1(=O)(=O)c2sc(S(=O)(=O)N)cc2C=C1COC(=O)c1ccccc1	PC-id_10667796	385.435	OPWPJVBMCDKXCT-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-117276
c1(C(=O)O)c(NCCc2sc3c(CCC3)n2)noc1c1ccc(cc1)OC	EMOLS-id_337815841,MCULE-7780754198,ZINC22_2356145963	385.437	YYTSUTNDSSVUCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117277
c1(NC(=O)COc2ccc(cc2)NC(=O)COC)sc2c(CCC2)c1C#N	EMOLS-id_323194619,MCULE-8531111497	385.437	SCMANPFYVWBRPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117278
c1(NC(=O)COc2cccc(c2)NC(=O)COC)sc2c(CCC2)c1C#N	MCULE-1377743805,EMOLS-id_323179622	385.437	VZSHATOEKDALSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117279
c1(NC(=O)C(=O)NN=Cc2ccccc2C)sc2c(CCC2)c1C(=O)OC	PC-id_2008603,MCULE-2888642562	385.437	ZFDJDXGTRRKDOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117280
COC(=O)c1ccccc1N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	EMOLS-id_334660054,MCULE-2629849279	385.437	PYCLZFXAEQMKOV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117281
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2C)sc2c1CCC2	STOCK4S-44363,EMOLS-id_26341177,PC-id_6890104	385.437	ZFDJDXGTRRKDOD-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-117282
s1c2c(CCC2)c(c1NC(=O)C1N(NC(=O)C1)Cc1ccccc1)C(=O)O	PC-id_4213330	385.437	PXHFOMPVZIYMFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117283
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(NCCO)cccc1)C#N	PC-id_7602552	385.437	VSTBIRWFTSPSIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117284
s1c2CCCc2c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)C)C)C#N	PC-id_16500488	385.437	YIXVLKUXKWDJLS-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-117285
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccccc1)C(=O)OCC	PC-id_19659085	385.437	BSUBJSDFWFKPFZ-RGVLZGJSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117286
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccccc1)C(=O)OCC	PC-id_73633581	385.437	BSUBJSDFWFKPFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117287
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=CCc1ccccc1)C(=O)OC	PC-id_3328491	385.437	IRIJJJJDUFHUAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117288
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/Cc1ccccc1)C(=O)OC	PC-id_9664635	385.437	IRIJJJJDUFHUAP-RGVLZGJSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117289
n12nc(nc1sc(=Cc1ccc(c3ccccc3)o1)c2=O)Cc1ccccc1	MCULE-6465604066	385.438	IOPZBWQMRBYCMI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-117290
O=c1/c(=Cc2ccc(c3ccccc3)o2)/sc2nc(Cc3ccccc3)nn12	ZINC22_11666708,EMOLS-id_45807481	385.438	IOPZBWQMRBYCMI-XMHGGMMESA-N	00000000101000110001100010000000000000000000000000000000	25-01-117291
O=c1/c(=C/c2ccc(c3ccccc3)o2)/sc2nc(Cc3ccccc3)nn12	ZINC22_5013280,EMOLS-id_45958965	385.438	IOPZBWQMRBYCMI-RGEXLXHISA-N	00000000101000110001100010000000000000000000000000000000	25-01-117292
S1CCn2c1nc(NC(=O)Cc1nc(sc1)c1cc(F)ccc1)c2C#N	PC-id_60323738	385.438	PBLTYMQVZLTMLV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117293
c1(NC(=O)COc2cccnc2NC(=O)N(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321859257,MCULE-7723312182	385.44	OSRCBEJBXLGBCD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117294
c1(NC(=O)COc2cccnc2NC(=O)NCC)sc2c(CCC2)c1C#N	MCULE-2461837298,EMOLS-id_321872504	385.44	ZPBDKONTCLNDHZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117295
COc1ccc(c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1OC	ZINC22_32873624,PC-id_40108044,MCULE-7751483683,CoCoCo_4474390,EMOLS-id_24477359	385.44	SBDQYTBBOSLQNW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117296
O=C(N1Cc2c(C1)cn[nH]2)NCC1CC=C(C=N1)S(=O)(=O)c1ccccc1	SCHEMBL16858051,PC-id_118193553	385.44	VCZJXDLNJQSYSD-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-117297
O=C(NCCc1nnc2n1CCC2)c1cccc(CN2C(=O)CSC2=O)c1	MCULE-4097400903,EMOLS-id_31935476,PC-id_51114966,ZINC22_42502816	385.44	ZJPAVEYPZFPRNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117298
n12nc(nc1sc(=Cc1c[nH]nc1c1ccccc1)c2=O)Cc1ccccc1	MCULE-2906235497	385.442	TWSVIMRDHCPIGT-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-117299
c1(NC(=O)CN2CCN(CC2)c2nncc(=O)[nH]2)sc2c(CCC2)c1C#N	MCULE-5766433697,EMOLS-id_322523490	385.443	GMBHKTKSCUHARR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-117300
CCOc1ccccc1n1nnnc1SCC(=O)N=c1cc2n([nH]1)CCC2	PC-id_146105916,ZINC22_1875274574,EMOLS-id_324065391,MCULE-2690541893	385.443	JZZMGOHWJGNJHY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117301
s1c2CC(CC(=O)N3CCC(CC3)C(=O)c3ccc(F)cc3)C(=O)c2cc1	PC-id_10786329	385.452	ZMTHQLWXYBNEEX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-117302
C=Cc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OCCc1ccccc1	PC-id_70506798,SCHEMBL11073135	385.455	RRJAJGOFOUOCNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117303
c12CN(Cc1cnn2CCO)C(=O)C1(CCCC1)c1ccc(c(OC)c1)OC	EMOLS-id_82713753,PC-id_119063742,ZINC22_426473750,MCULE-9926102696	385.457	YMUCLNMTJRPORC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117304
c12CN(Cc1nn(CCC)c2C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	MCULE-1912701611,EMOLS-id_324346981	385.457	JMEQVIXCAKHGCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117305
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27521187	385.457	SLXXNLMWBSPBOC-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-117306
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27521188	385.457	VOZHBGMSTGDWLY-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-117307
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)NCc1ccccc1	PC-id_27521186	385.457	HYXFFBMWRKKEDT-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-117308
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_40636470	385.457	QCRLWECZTRNENO-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-117309
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N(Cc1ccccn1)C1CC1	ZINC22_665466907	385.458	LPGSFSOULYFJPR-FQEVSTJZSA-N	00100010100000111000000010000000000000000000000000000000	25-01-117310
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N(Cc1ccccn1)C1CC1	ZINC22_665466908	385.458	LPGSFSOULYFJPR-HXUWFJFHSA-N	00100010100000111000000010000000000000000000000000000000	25-01-117311
s1c2c(CCC2)c(c1NC(=O)CSC1NC(O)CC(=O)N1)C(=O)OC	PC-id_73380449	385.458	ZMLFXGJUZXXGDE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117312
s1c2CCCc2nc1NC(=O)CN1CCN(CC1)c1c(c(F)ccc1)C#N	PC-id_60509168	385.458	LJNJXDVRMSCYRX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117313
S1C=C[C@](N=C1N)(c1cc(CC(=O)c2nn3CCN(c3c2)C)ccc1F)C	PC-id_58376876	385.458	NBCCRMFQGBVDIE-IBGZPJMESA-N	00000010100011110001100010000000000000000000000000000000	25-01-117314
S1C=CC(N=C1N)(c1cc(CC(=O)c2nn3CCN(c3c2)C)ccc1F)C	PC-id_76770172	385.458	NBCCRMFQGBVDIE-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-117315
c1(C(=O)N2CCC(CC2)CNC(=O)c2oc(nc2C)CC)c2CCCc2[nH]n1	ZINC22_952975468,MCULE-1483324057,EMOLS-id_290015821	385.46	IWVVFERUJKAGOK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117316
c1(NC(=O)COCc2noc(c3cccs3)c2)sc2c(CCC2)c1C#N	MCULE-9164323150,CoCoCo_2357364,ZINC22_6876544,EMOLS-id_16194242,PC-id_17254176,TIMTEC235488	385.46	JEQRFDLHRAQWAP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-117317
c1(NC(=S)NC(=O)c2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C#N	PC-id_4110682,MCULE-9836700489,CoCoCo_5016037,ZINC22_4135010,EMOLS-id_5472364	385.46	UCDPWAKJWMJKJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117318
CCOc1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)ccc1O	EMOLS-id_324831483	385.46	VNALDQUGCFIJKL-DHDCSXOGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117319
CCOc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1O	EMOLS-id_324831486	385.46	HBEIXDXZRXMTFF-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117320
CCOc1ccc(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1	EMOLS-id_324879369	385.46	BYVRUWHWROWCJF-DHDCSXOGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117321
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C)C	SCHEMBL1205884,PC-id_66941630	385.46	VYUGXHOMJJKHDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117322
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C)C	SCHEMBL1205880,PC-id_58015638	385.46	VYUGXHOMJJKHDZ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117323
CN(C[C@@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C)C	SCHEMBL1204716,PC-id_58015698	385.46	KCYMDCXGEJUHOA-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117324
CN(CC(OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C)C	SCHEMBL4522886,PC-id_69077996	385.46	KCYMDCXGEJUHOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117325
COc1cc(ccc1OC)C(=O)N1CCC(CC1)NC1CC(n2c1ncn2)C	EMOLS-id_319954466,MCULE-8956857939	385.46	GWYRWYDQIPRXNN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117326
COc1ccc(Cc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1OC	EMOLS-id_324926478	385.46	BQAJLHGDQZVTGJ-NVNXTCNLSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117327
COc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1OC	EMOLS-id_324829947	385.46	DAAPACWWZNCPAG-DHDCSXOGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117328
COc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1OC	EMOLS-id_324829439	385.46	AAVAEBCXBLQVEL-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117329
COc1cc(CN2CC[C@@H](NC(=O)N[C@H]3Cc4cncn4C3)C2)cc(OC)c1	ZINC22_636913293	385.46	MPWVUTFNRWJCOC-CVEARBPZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117330
COc1cc(CN2CC[C@H](NC(=O)N[C@H]3Cc4cncn4C3)C2)cc(OC)c1	ZINC22_636913294	385.46	MPWVUTFNRWJCOC-HOTGVXAUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117331
COc1cc(CN2CC[C@@H](NC(=O)N[C@@H]3Cc4cncn4C3)C2)cc(OC)c1	ZINC22_636913295	385.46	MPWVUTFNRWJCOC-HZPDHXFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117332
COc1cc(CN2CC[C@H](NC(=O)N[C@@H]3Cc4cncn4C3)C2)cc(OC)c1	ZINC22_636913296	385.46	MPWVUTFNRWJCOC-JKSUJKDBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117333
COc1ccc(OC)c(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1	EMOLS-id_324829951	385.46	DRVOBNZOESKMPK-DHDCSXOGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117334
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)Cc1cccs1	MCULE-1594456564	385.46	AAVAEBCXBLQVEL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117335
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)Cc1cccs1	MCULE-2748763507	385.46	DAAPACWWZNCPAG-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117336
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)O)c2=O)Cc1cccs1	MCULE-1956095362	385.46	VNALDQUGCFIJKL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117337
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)Cc1cccs1	MCULE-9214557956	385.46	HBEIXDXZRXMTFF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117338
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)Cc1cccs1	MCULE-5047462755	385.46	DRVOBNZOESKMPK-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117339
n12nc(nc1sc(=Cc1ccsc1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4296490434	385.46	BQAJLHGDQZVTGJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117340
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1ccc(cc1)OCC	MCULE-8405161944	385.46	BYVRUWHWROWCJF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117341
N#Cc1c(sc2c1CCC2)NC(=O)[C@@H]([N@H+](Cc1cccc(c1)[N+](=O)[O-])C)C	GD-id_ZINC26743370	385.46	FQIGXLNCLXBHPX-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117342
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCn1ccc(=O)[nH]c1=O	PC-id_92109708	385.46	XAYTXSWLOXLNLV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117343
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)c1occc1)C#N	PC-id_2697689	385.46	QRTINJGEWVTWOQ-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-117344
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(ccc1)C(=O)OC)C#N	PC-id_17175680	385.46	BDRHOYBEXSGBFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117345
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nnc3n2CCC3)cc1	CoCoCo_4573060,MCULE-2689130540,ZINC22_12807588,PC-id_25526824,EMOLS-id_16772503	385.462	MDDJQOZSEODMQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117346
O(Cc1n(Cc2n3CCCc3nn2)cnc1c1ccccc1)Cc1ccccc1	PC-id_50951102	385.462	YFBNIARZDYYSFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117347
c1(NC(=O)c2csnn2)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_16454100,EMOLS-id_2647559,CoCoCo_2249786,TIMTEC382238,MCULE-1842859827,ZINC22_9250867	385.463	PMCRAANLEWNXDV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-117348
c1(NC(=O)CSc2nc(CC)c(c(=O)[nH]2)C#N)sc2c(CCC2)c1C#N	PC-id_135552637,EMOLS-id_179181975,MCULE-8833021011	385.463	DHCVFTVMTQVVJN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117349
CCn1nccc1C(=O)N1Cc2c(C1)c(nn2C)C(=O)N1CCCN(CC1)C	MCULE-6180513465,EMOLS-id_207863261	385.463	CJHGCRVXRSYHSF-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-117350
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccco1	ZINC22_8189864,EMOLS-id_11711331,PC-id_9324788,MCULE-4845833949,CoCoCo_2891129	385.463	VINOJUWPQYUAKL-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-117351
CN(C1CCN(C1)C(=O)c1n[nH]c2c1CCC2)Cc1cc(=O)[nH]c(n1)N(C)C	EMOLS-id_316051495,PC-id_137218290,MCULE-1688574024	385.463	SJPFVHZUZAZEJX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117352
CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	PC-id_137204437,ZINC22_276557343	385.463	SJPFVHZUZAZEJX-ZDUSSCGKSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117353
CN(C)c1nc(O)cc(CN(C)[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_276557324,PC-id_137204436	385.463	SJPFVHZUZAZEJX-CYBMUJFWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117354
s1c2CCCc2c(c1NC(=O)CSC1=NC(=O)C(C(=N1)CC)C#N)C#N	PC-id_78506620	385.463	NETYTOJSQNYFDB-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-117355
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1sc(nn1)C	PC-id_16947140	385.463	RIULDIBABCEXNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117356
CCCc1cc2n(c1C(=O)c1ccc(cc1)F)CCC2C(=O)OCCCCC	PC-id_20351592,SCHEMBL11603580	385.472	ARLHLUWSWOOJTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117357
c1(NC(=O)C=Cc2ccc(cc2)OCCC)sc2c(CCC2)c1C(=O)OC	MCULE-2650276763,PC-id_2791695	385.477	BLOUIRXPWPGFOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117358
c1(NC(=O)C=Cc2ccccc2OCCC)sc2c(CCC2)c1C(=O)OC	PC-id_4085206,MCULE-5815817020	385.477	WVOYDMOYVUGPKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117359
c1(NC(=O)C=Cc2ccccc2OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-7096448834,PC-id_73569415	385.477	OEOWIPRNEPXSGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117360
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-7877132887,PC-id_1186004	385.477	JXJFPMRVCDNHGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117361
c1(NC(=O)COc2ccccc2CC=C)sc2c(CCC2)c1C(=O)OCC	MCULE-7754480805,PC-id_19237225	385.477	GTLZNNKUJJVRFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117362
CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_5308377,MCULE-7413604102,EMOLS-id_3410730,PC-id_4786694,CoCoCo_2840824	385.477	PMOZNQSBRJXTSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117363
CCCOc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_863449	385.477	BLOUIRXPWPGFOO-XFXZXTDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117364
CCCOc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_25938884,CoCoCo_863448,STOCK3S-52473,PC-id_1568693,ZINC22_1778036	385.477	BLOUIRXPWPGFOO-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117365
CCOc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	CoCoCo_817396	385.477	JXJFPMRVCDNHGK-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117366
CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)C1CCC1)C(OC2)C	SCHEMBL2162140,PC-id_24772407	385.477	VGOLFSCGSNGXFY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-117367
CCOC(=O)C1(CCn2c1ccc2C(=S)c1ccc(cc1)C)C(=O)OCC	SCHEMBL9689233,PC-id_19914015	385.477	KAPBYWOFNQOEPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117368
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCC)cc2)sc2c1CCC2	CHEMBL1376652,PC-id_1563146,ChemDIV3992-0832,ZINC22_947432,EMOLS-id_25926430,ChEMBL-DNDi_CHEMBL3992-0832,CoCoCo_817395	385.477	JXJFPMRVCDNHGK-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117369
CCOC(=O)c1c(NC(=O)CCC(=O)c2ccc(C)cc2)sc2CCCc12	MCULE-6434798717,EMOLS-id_327858728	385.477	MCSKGOUPMALVAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117370
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(CCCNC(=O)C)cc1	PC-id_7886445	385.477	IPPNYPMBKKOHNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117371
s1c2CCCc2cc1C(=O)OC(C(=O)c1ccc(NC(=O)C(C)C)cc1)C	PC-id_46810799	385.477	NWEBQLICNGVHOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117372
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1	PC-id_7432143	385.477	TZSKFOKYDMNSFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117373
s1c2CCCc2cc1C(=O)OCC(=O)N(C1CC1)Cc1ccc(OC)cc1	PC-id_18201644	385.477	JDAJBVUGSQDXDO-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-117374
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1	PC-id_7238913	385.477	VPXDUQATDOJBJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117375
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OCC)cccc1)C(=O)OCC	PC-id_19207574	385.477	OEOWIPRNEPXSGF-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117376
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OCCC)cccc1)C(=O)OC	PC-id_1654101	385.477	WVOYDMOYVUGPKZ-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117377
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1C[S@](=O)C2	CoCoCo_5631144,ZINC22_6483427,PC-id_92298900	385.478	VMVMSHQVJONYFB-AREMUKBSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117378
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1C[S+]([O-])C2	PC-id_341455,CHEMBL63908	385.478	VMVMSHQVJONYFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117379
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1C[S@@](=O)C2	PC-id_92269603,CoCoCo_5631143,ZINC22_5568195,NSC373598	385.478	VMVMSHQVJONYFB-SANMLTNESA-N	00000010100000000001000010000000000000000000000000000000	25-01-117380
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_126441329	385.478	CPHRMBOQEHGRPB-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117381
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_126441535	385.478	CPHRMBOQEHGRPB-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117382
CCN1CCN(CC1)c1ccc(cc1C(NC(=O)c1n[nH]c2c1CCC2)C)F	EMOLS-id_97879763,MCULE-6371321253	385.478	CPHRMBOQEHGRPB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117383
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(F)cccc1)C#N	PC-id_2438158	385.478	CLZFWYSYFFZZLR-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-117384
c12c(CCC1C(=O)N1CCCCC1)sc(NC(=O)c1ccc(cc1)OC)n2	MCULE-2732471951,EMOLS-id_12347691,PC-id_16947815	385.48	SBLHEUQNVPIETK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117385
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccccc1	MCULE-8327071746,EMOLS-id_2783907,PC-id_3788271,CoCoCo_5988603,ZINC22_20149760	385.48	AYPILNDXHHNUDR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117386
c1(NC(=O)c2cncc(C)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9535502985,EMOLS-id_334339744	385.48	NWDNDVGRLVZETD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117387
c1(NC(=O)CCc2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329053,MCULE-1164783879	385.48	SKZBTDKWFXFJOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117388
c1(NC(=O)CNC(=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331049,MCULE-5197655190	385.48	FTWIUGUBQLNBKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117389
c1(NC(=O)COc2cn(c(cc2=O)C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331628994,MCULE-6770978226	385.48	FAYCCNBQGKHTTN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117390
c1(NC(=O)COc2cn(c(cc2=O)C)CCCC)sc2CCCc2c1C#N	EMOLS-id_331629506,MCULE-1187736671	385.48	ANPZRIWKHKGEMH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117391
c1(NC(=O)NN=Cc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)OCC	PC-id_19168803,MCULE-4899465159	385.48	RHJVBAAMYKLUTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117392
Cc1c2n(CCO2)nc1C(=O)NCCN1CCN(CC1)S(=O)(=O)C(C)C	PC-id_91959929	385.482	KPYXTUBRQAJUJB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117413
c1(sc2c(CCC2)c1C(=O)O)NC(=O)N1CCN(CC1)Cc1ccccc1	EMOLS-id_4761498,MCULE-6026583024,ZINC22_9303379,STOCK6S-23893,PC-id_17587462	385.48	CZKGMSCEGYTLSH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117393
CCN(CC(=O)Nc1ccc(NC(=O)C)cc1)C(=O)c1cc2c(s1)CCC2	ZINC22_13004516,CoCoCo_3338643,PC-id_24979321,EMOLS-id_18920057,MCULE-7948984539	385.48	MPABEDYAKFCCNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117394
Cn1nc(c2c1CCC2)CN(S(=O)(=O)Cc1ccccc1)Cc1ccco1	PC-id_92109607	385.48	KFEMMEFKUUHKFY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117395
COc1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)ccc1O	EMOLS-id_324903939	385.48	JBENBTMWOBCPOA-ATVHPVEESA-N	00000000100010110001000010000000000000000000000000000000	25-01-117396
COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)c1OC	MCULE-2035779736,PC-id_2699303,CoCoCo_3585370,CoCoCo_3585369,ZINC22_3586627,EMOLS-id_3583512,CHEMBL1508502	385.48	WYCIDODKQOIFPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117397
COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC	CHEMBL1466429,ZINC22_3585724,EMOLS-id_3583508,CoCoCo_3584008,CoCoCo_3584007,PC-id_2698926,MCULE-7769583865	385.48	STZQJNATKBWMBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117398
COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1	MCULE-2064391319,CoCoCo_3584141,PC-id_2498630,ZINC22_3380363,ChEMBL-DNDi_CHEMBL1496318,CHEMBL1496318,EMOLS-id_3294636,CoCoCo_3584142	385.48	SKVNOVQFAIXUCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117399
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCCCC2)cc1	CoCoCo_5124859,ZINC22_9301114,PC-id_41007040	385.48	SBLHEUQNVPIETK-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117400
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCCCC2)cc1	PC-id_41007041,ZINC22_9301117,CoCoCo_5124858	385.48	SBLHEUQNVPIETK-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117401
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CCC1CCCCC1	MCULE-2809899879	385.48	JBENBTMWOBCPOA-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-117402
O=C(c1cc2c(s1)CCN2C(=O)c1ccccc1)NCCN1CCOCC1	PC-id_97524476	385.48	VCKZTFMNCCXXET-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117403
O=C(C1CCN(CC1)C(=O)C1=Cc2c(C1(C)N)ccs2)NCc1ccco1	PC-id_70998679,SCHEMBL13812460	385.48	OZZIXVIKJZDVMB-UHFFFAOYSA-N	00000011101010000000000010000000000000000000000000000000	25-01-117404
s1c2CCCc2cc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	PC-id_39855917	385.48	SWJTUJBLOZGTHW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117405
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)N(C)C)cc1)C	PC-id_85015437	385.48	BTRPPGSHJHOSMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117406
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)N(C)C)cc1)/C	PC-id_9462342	385.48	BTRPPGSHJHOSMW-BKUYFWCQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117407
s1c2CCCc2cc1C(=O)NNC(=O)CC(NC(=O)C)c1ccc(cc1)C	PC-id_51195407	385.48	CIVNCPGAPHTVDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117408
s1c2CCCc2c(c1NC(=O)CCSCc1ccc(cc1)C(=O)[O-])C#N	PC-id_32370724	385.48	WANRSCOEMWLMID-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-117409
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(n(C(C)C)c(c1)C)C)C#N	PC-id_8384678	385.48	OHEKQTADIHJVIX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-117410
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCC1OCCC1	PC-id_16947529	385.48	FDSFFRHQRLYEPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117411
s1c2CCC(C(=O)NC3CCCC3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_16947842	385.48	ALNNWYVMCCAHSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117412
CCCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1	PC-id_91959802	385.482	YEACDADQQWQECF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117414
CCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1C	PC-id_91959930	385.482	GRNCTPHEAFTBCN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117415
c1(NC(=O)CNC(=O)N2CCN(CC2)c2ccccc2)sc2c(CCC2)n1	EMOLS-id_36793837,MCULE-5325753482,ZINC22_72401500,PC-id_60175444,EMOLS-id_46564660,STOCK7S-25225	385.483	AGWPRYDDQMJFLL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117416
Cc1cc(CN2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)no1	PC-id_9437753,CoCoCo_4131370,CoCoCo_4131371,EMOLS-id_11761772,ZINC22_22785828,MCULE-5012404221	385.483	ITJKLAZIHHAIQR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117417
CCCc1nnsc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109461	385.483	ZQAVQBXIZKUDKD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-117418
COc1ccc(OCc2nc(CNCCc3nnc4n3CCC4)cs2)cc1	PC-id_75463914,EMOLS-id_48347833,SCHEMBL18997321,ZINC22_95959232,MCULE-4009285957	385.483	ZLVOBCFPADRLNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117419
N#Cc1c(NC(=O)C(N2CCCC(C2)c2onc(n2)C)C)sc2c1CCC2	EMOLS-id_98535592	385.483	KDPQGBQZJXDSLN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117420
N#Cc1c(NC(=O)C(N2CCC(CC2)c2onc(n2)C)C)sc2c1CCC2	EMOLS-id_98542637	385.483	LLAHRBXDOWPTHF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117421
N#Cc1nc(oc1N1CCC(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102181833	385.483	PEXOMSZDWUNFSB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117422
NC(=O)c1c2c(CCC2)sc1NC(=O)CN1CCN(c2ncccc2)CC1	CoCoCo_3373266,ZINC22_7449515,CoCoCo_3373265,MCULE-3144823381,PC-id_8547342,EMOLS-id_11932492	385.483	APPUMNDEEWHSGD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-117423
O=C(N1CCN(CC1)C(=O)c1ccccn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000075	385.483	NWVXSSUBMRCCIN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-117424
Cn1ccnc1C(NC(=O)Nc1nc2c(s1)CCC2(C)C)c1nccn1C	ZINC22_529121587,MCULE-1149159802,EMOLS-id_276242479	385.487	MRIMAGXUMCJVMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117425
CCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1occc1C	PC-id_20356175,SCHEMBL11658144	385.497	INXBBBABRRQTGG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-117426
CCN(C(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	CoCoCo_4174582,ZINC22_7258220,PC-id_8359525	385.498	LGAJFAMGXZCIFN-AAEUAGOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-117427
CCN(C(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	PC-id_8359512,CoCoCo_4174581,ZINC22_7258206	385.498	LGAJFAMGXZCIFN-DGCLKSJQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-117428
CCN(C(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	PC-id_8359515,CoCoCo_4174583,ZINC22_7258209	385.498	LGAJFAMGXZCIFN-YPMHNXCESA-N	00000010100000000000000010000000000000000000000000000000	25-01-117429
CCN(C(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	PC-id_8359521,ZINC22_7258215,CoCoCo_4174580	385.498	LGAJFAMGXZCIFN-WCQYABFASA-N	00000010100000000000000010000000000000000000000000000000	25-01-117430
CCN(C(=O)C(OC(=O)c1sc2c(c1)CCC2)C)C1CCS(=O)(=O)C1	PC-id_17481896,EMOLS-id_15260317,MCULE-6910201205	385.498	LGAJFAMGXZCIFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-117431
CCOC(=O)c1c(NC(=O)CC2CCS(=O)(=O)CC2)sc2CCCc12	EMOLS-id_328187038,MCULE-1864134530	385.498	XLGWDEFJXOBIKD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-117432
Fc1cc(CC[NH+]2CCC(CC2)CN(C(=O)c2n[nH]c3c2CCC3)C)ccc1	PC-id_42520156	385.498	MFMCJEMUKAQQJI-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117433
Fc1c(CC[NH+]2C[C@@H](CCC2)CN(C(=O)c2n[nH]c3c2CCC3)C)cccc1	PC-id_42097129	385.498	RPYFYBPMZMUMEF-INIZCTEOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117434
Fc1c(CC[NH+]2C[C@H](CCC2)CN(C(=O)c2n[nH]c3c2CCC3)C)cccc1	PC-id_42097131	385.498	RPYFYBPMZMUMEF-MRXNPFEDSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117435
s1c2CCCc2c(c1NC(=O)CCN(C(c1ccc(F)cc1)C)CC)C#N	PC-id_56525145	385.498	YQUIPRDMPHZFES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117436
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)c1c(cccc1)C	PC-id_7382827	385.5	QSHBIMOUTJSHIG-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117437
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CC(c2ccccc2)NCC1	EMOLS-id_328341904,MCULE-2275937766	385.501	AIMLYLZOLQVOKJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117438
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)c1ccccc1	EMOLS-id_328336794,MCULE-8628178486	385.501	ALSYBDOMVPSVKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117439
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCNCC1c1ccccc1	MCULE-4496829511,EMOLS-id_328341648	385.501	QNMGYNPAXGUGCU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117440
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)N1CCCC1	MCULE-9393141671,EMOLS-id_328219004	385.501	PYBYLECLCGNYDI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-117441
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)N2CCOCC2)CC1	MCULE-6327393118,CoCoCo_4808549,PC-id_37439163,EMOLS-id_33346132,ZINC22_30251668	385.502	AEFJCLFHYXBOPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117442
Cc1cccc(NC(=O)CSCC(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_181302052,PC-id_84404566,MCULE-3288628367	385.503	KABRYZDJLJLJRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117443
CCc1nnc(=NCC(C)(C)CN(C)C(=O)c2occ3c2CCC3)[nH]c1CC	ZINC22_2325793506	385.503	XJTYLTMZOUYRAE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117444
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCC)cc1)C#N	PC-id_4955524	385.503	UEOQMLQEXOKOBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117445
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1)C#N	PC-id_4955533	385.503	VIHOPHPWLHMPFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117446
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OC(C)C)ccc1)C#N	PC-id_17142760	385.503	JQUMUPMERZEJCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117447
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OCCC)ccc1)C#N	PC-id_4960398	385.503	KTFRGDQHNADZSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117448
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OC(C)C)cccc1)C#N	PC-id_17045925	385.503	OCWWLUXQCGWFSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117449
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCCC)cccc1)C#N	PC-id_4955530	385.503	CJNVTFGXAUMELM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117450
Cc1cccc(c2n[nH]c(=S)n2CCC(=O)Nc2nc3c(s2)CCC3)c1	CoCoCo_4626359,MCULE-4303436177,EMOLS-id_75944539,ZINC22_25768547,PC-id_33040226	385.506	ZELMVOBQPKMNCI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117451
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccco1)N1CCCCC1	PC-id_111020367	385.506	QXNPNVGQFRWURZ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-117452
CCCNC(c1ccc(cc1Cl)Br)c1sc2c(n1)CCC2	PC-id_116486832	385.75	CDIXKYHZSYSPTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117515
CNc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(CN(C)C)C	PC-id_145111630	385.506	PGFGKBHPUXJYHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117453
s1c2CCCc2nc1NC(=O)CCn1c(n[nH]c1=S)c1ccc(cc1)C	PC-id_33040223	385.506	YWSAASSQGSOZHV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117454
S(c1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1)Cc1ncsc1	PC-id_52600677	385.506	LIFBRXCTPOBRLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117455
c1(NC(=O)CCc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_19221210,MCULE-8583088926	385.52	MQOBVBYQUSZHKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117456
c1(NC(=O)CCc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-4325811194,PC-id_19221459	385.52	YWIRSVMOMGUSHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117457
CCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	SCHEMBL10814932,PC-id_20235090	385.52	IWKHEQCRLLTONN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117458
CCN(C(C1CCc2c1sc(c2C(=O)c1ccccc1)C)CC(=O)O)CC	SCHEMBL10742268,PC-id_70432322	385.52	NWKNSPKRMVDWBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117459
CCN(CCC1CC(c2c1c(c(s2)C)C(=O)c1ccccc1)C(=O)O)CC	SCHEMBL10746081,PC-id_70432944	385.52	MVANSALLWOWXSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117460
CCN(CC(C1CCc2c1sc(c2C(=O)c1ccccc1)C)C(=O)O)CC	PC-id_70432319,SCHEMBL10742262	385.52	RIQOJRVUUAPOSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117461
COc1ccc(cc1C1(CCOCC1)CNC(=O)c1sc2c(c1)CCC2)C	PC-id_86836733	385.52	BRNKDASWNWBDCA-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-117462
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C	PC-id_7623674	385.52	ICCZJGZPIGRJKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117463
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1ccc(CC(C)C)cc1)C	PC-id_78464118	385.52	BWUYBYWJDRXKPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117464
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C	PC-id_7238989	385.52	BWUYBYWJDRXKPU-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117465
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](c1ccc(CC(C)C)cc1)C	PC-id_7238992	385.52	BWUYBYWJDRXKPU-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117466
s1c2c(CCC2)c(c1NC(=O)C(c1ccc(CC(C)C)cc1)C)C(=O)OC	PC-id_54782063	385.52	MWPLTUXBBZHHDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117467
c1(c2CCCc2sc1NC(=O)CNCC(C)C)C(=O)Nc1cccc(C)c1	EMOLS-id_2785860,MCULE-5187703406,TIMTEC324138,PC-id_3840224,ZINC22_4554484,CoCoCo_6724288	385.523	MZEGVLDNQBZAAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117468
Cn1nc(c2c1CCC2)CN(S(=O)(=O)/C=C/c1ccccc1)C1CCCC1	PC-id_117054887	385.523	FZAUAZYUFRCGQM-CCEZHUSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117469
Cn1nc(c2c1CCC2)CN(S(=O)(=O)C=Cc1ccccc1)C1CCCC1	PC-id_92110029	385.523	FZAUAZYUFRCGQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117470
n1c2CCCc2sc1CCNC(=O)CC1CN(CCO1)Cc1ccccc1	PC-id_91838915,EMOLS-id_55675263,MCULE-5761066088	385.523	GXMYKLIBFRGYNE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117471
OCC1(CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C)c1ccccc1	EMOLS-id_102010716	385.523	VFGDQLXXMUTDSV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117472
Cc1c(c(ccc1)Cl)C(=O)n1c2c(CCC2)c(n1)I	PC-id_134168019,SCHEMBL19768755	386.615	VSDRSXJYRLTKOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117993
O=C(C1(CCOCC1)c1ccccc1)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030679	385.523	HCAOZCQCNYVKMJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117473
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCc1nc2c(s1)CCC2	ZINC22_252485516	385.523	GXMYKLIBFRGYNE-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117474
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCCc1nc2c(s1)CCC2	ZINC22_252485517	385.523	GXMYKLIBFRGYNE-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117475
s1c2c(CCC2)c(c1NC(=O)[C@@H](N[C@H](C(C)C)c1ccccc1)C)C(=O)N	PC-id_51540307	385.523	RGPCDWXLUZQJCO-SCLBCKFNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117476
s1c2c(CCC2)c(c1NC(=O)[C@@H](N[C@@H](C(C)C)c1ccccc1)C)C(=O)N	PC-id_51540308	385.523	RGPCDWXLUZQJCO-UGSOOPFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117477
s1c2c(CCC2)c(c1NC(=O)[C@H](N[C@H](C(C)C)c1ccccc1)C)C(=O)N	PC-id_51540309	385.523	RGPCDWXLUZQJCO-FZKQIMNGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117478
s1c2c(CCC2)c(c1NC(=O)[C@H](N[C@@H](C(C)C)c1ccccc1)C)C(=O)N	PC-id_51540310	385.523	RGPCDWXLUZQJCO-ACJLOTCBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117479
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c(cc(cc1)C)C)C)C)C(=O)N	PC-id_46563660	385.523	UIPQINLKBBSZKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117480
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1ccc(cc1)CC)C)C)C(=O)N	PC-id_46630866	385.523	OULMIYGKKXFITA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117481
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(C(C)C)cc1)C)C(=O)N	PC-id_9028882	385.523	ACAGGCHVASRHAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117482
s1c2c(CCC2)c(c1NC(=O)C(NC(C(C)C)c1ccccc1)C)C(=O)N	PC-id_24507534	385.523	RGPCDWXLUZQJCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117483
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(OC(C)C)cc1	PC-id_44060363	385.523	JBPIXJMYKNCNNL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117484
s1c2CCCc2nc1CN1CCN(CC1)C(=O)Cc1ccc(OCC)cc1	PC-id_44060404	385.523	UWQUANFYBVSCFL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117485
s1c2CCCc2nc1CN1CCN(CC1)C(=O)CCc1ccc(OC)cc1	PC-id_44060415	385.523	AUBHDRJKQIAUDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117486
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N(CCC)CCC	PC-id_16947492	385.523	BQOBQNMZFRSPRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117487
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N(C(C)C)C(C)C	PC-id_16947493	385.523	UIMLHWYWTWSVAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117488
s1c2CN(Cc2cc1C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C	PC-id_53171059	385.523	YZXVTJRNAQPXED-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117489
CN(Cc1ccoc1CSCCNC1=NS(=O)(=O)c2c1csc2)C	PC-id_136423999,SCHEMBL11116733	385.525	RVDXYGKQUOSMBU-UHFFFAOYSA-N	00000011101000000001000010000000000000000000000000000000	25-01-117490
c12SCCn1cc(CNC(=O)CCN1CCN(CC1)c1cccc(C)c1)n2	EMOLS-id_46621180,ZINC22_95368783,MCULE-1231654122,PC-id_72880474	385.526	LYFBAGNMYALVAM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117491
O=C(N1CCN(CC1)C(c1cccnc1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002139	385.526	MHKMLGCBIRHTEP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-117492
s1c2c(CCC2)cc1C(=O)NC[C@@H]([NH+]1CCCCC1)c1ccc(OC)cc1	PC-id_25382793	385.543	VPZWIFKFXUJLOI-LJQANCHMSA-O	00000010100010110000000010000000000000000000000000000000	25-01-117493
s1c2c(CCC2)cc1C(=O)NC[C@H]([NH+]1CCCCC1)c1ccc(OC)cc1	PC-id_25382797	385.543	VPZWIFKFXUJLOI-IBGZPJMESA-O	00000010100010110000000010000000000000000000000000000000	25-01-117494
s1c2c(CCC2)cc1C(=O)NCC([NH+]1CCCCC1)c1ccc(OC)cc1	PC-id_74450159	385.543	VPZWIFKFXUJLOI-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-117495
s1c2c(CCC2)cc1C(=O)NCC[NH+]1CCC(O)(CC1)c1ccc(cc1)C	PC-id_51500976	385.543	OROCQHPVZWBEEO-UHFFFAOYSA-O	00000010100010110000100010000000000000000000000000000000	25-01-117496
c1(CN2CCC(CC2)OCC#CCN2CCN(CC2)C)c2CCCc2nn1C	PC-id_146074318,EMOLS-id_324138251,MCULE-3946533998,ZINC22_1889084124	385.546	BIPUJZSOEQHBKX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117497
CSc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324906501	385.546	AUXXPWIARNDHTA-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-117498
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)CCC1CCCCC1	MCULE-5047340127	385.546	AUXXPWIARNDHTA-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-117499
N#Cc1c(NC(=O)CCN2CCC(CC2)c2ccsc2)sc2c1CCC2	EMOLS-id_100506277	385.546	CHGJJNIPILOGSQ-UHFFFAOYSA-N	00000010100110000000100010000000000000000000000000000000	25-01-117500
N#Cc1c(NC(=O)C(N2CCC(CC2)c2ccsc2)C)sc2c1CCC2	EMOLS-id_100491162	385.546	FZXHPWGTCBETGD-UHFFFAOYSA-N	00000010100110000000100010000000000000000000000000000000	25-01-117501
Brc1nc2n(c1Cl)C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140263744	385.683	CBCWONPJTIGYTE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117502
Brc1ccc(/C(=C/C2Sc3n(N2)c(nn3)CCC)/Cl)cc1	PC-id_11794509	385.71	CUGCYELAPHPWBS-FLIBITNWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117503
Brc1ccc(C(=CC2Sc3n(N2)c(nn3)CCC)Cl)cc1	PC-id_73104313	385.71	CUGCYELAPHPWBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117504
CCCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)Cl	PC-id_104661970	385.746	ZMVZJZOYWDAOCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117505
COc1c(C)cc(c(c1C(c1sc2c(c1)CCC2)Cl)C)Br	PC-id_104054115	385.746	JBMYZJQZCLHPIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117506
Brc1cc(C(NCCC)c2sc3CCCc3n2)ccc1Cl	PC-id_83233290	385.75	XYBLGNUYPSONFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117507
Brc1cc(C(NC(C)C)c2sc3CCCc3n2)ccc1Cl	PC-id_83233293	385.75	CXQVJIDYCQUEJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117508
Brc1c(C(NCCC)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_81586413	385.75	FNWDXKPMPWHDKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117509
Brc1c(C(NC(C)C)c2sc3CCCc3n2)ccc(Cl)c1	PC-id_81586549	385.75	BOBUARVQVBYSBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117510
Brc1c(C(NCCC)c2sc3CCCc3n2)cc(Cl)cc1	PC-id_66156075	385.75	MFNDPNGGPWXGAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117511
Brc1c(C(NC(C)C)c2sc3CCCc3n2)cc(Cl)cc1	PC-id_66156469	385.75	QJFFQPGVWRZBOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117512
CCCNC(c1cc(Br)ccc1Cl)c1sc2c(n1)CCC2	PC-id_108397952	385.75	PQBSOVIJBPWLTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117513
CCCNC(c1ccc(c(c1)Cl)Br)c1sc2c(n1)CCC2	PC-id_108397953	385.75	ROPMTCHXZDVHCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117514
CC(NC(c1cc(Br)ccc1Cl)c1sc2c(n1)CCC2)C	PC-id_108397966	385.75	HOCRQHGANIWUMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117516
CC(NC(c1ccc(c(c1)Cl)Br)c1sc2c(n1)CCC2)C	PC-id_108397967	385.75	JIHGNTLUFGOOBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117517
CC(NC(c1ccc(cc1Cl)Br)c1sc2c(n1)CCC2)C	PC-id_116486837	385.75	LTQALVQTDPOZCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117518
c1(NC(=O)c2cc(F)c(cc2Cl)F)sc2c(CCC2)c1C(=O)OCC	STOCK3S-01303,CoCoCo_1709206,ZINC22_707551,EMOLS-id_4474592,PC-id_1037012,MCULE-9982563550,TIMTEC286376	385.813	LJAQWOKWOWQBNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117519
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccc(c(Cl)c1)OC	MCULE-7938878594,PC-id_56758384,ZINC22_67954549,EMOLS-id_36612374	385.819	MZTOJYHLWOCIRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117520
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1ccccc1Cl	MCULE-4321352425	385.824	PJOWCYJGLGQXSZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117521
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1ccc(Cl)cc1	MCULE-6184602126	385.824	JVGFFEVIIOWCSI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117522
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1ccccc1Cl	MCULE-5858858997	385.824	CQLLLSIKOQCOAE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117523
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1ccc(Cl)cc1	MCULE-7925984742	385.824	QJWNRULZCCIRCP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117524
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1ccccc1	MCULE-9454282673	385.824	HQIVBBZQPOMQSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117525
Oc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324884996	385.824	PJOWCYJGLGQXSZ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117526
Oc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324843257	385.824	JVGFFEVIIOWCSI-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117527
Oc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324884999	385.824	CQLLLSIKOQCOAE-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117528
Oc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324843260	385.824	QJWNRULZCCIRCP-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117529
Oc1ccc(Cl)cc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324843767	385.824	HQIVBBZQPOMQSY-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117530
ClC(CN1C(=O)n2c(C1=O)ccc2)Cc1ncn(S(=O)(=O)N(C)C)c1	PC-id_75166761	385.826	LIAXUKNXTOITAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117531
Cl[C@@H](CN1C(=O)n2c(C1=O)ccc2)Cc1ncn(S(=O)(=O)N(C)C)c1	PC-id_46187200	385.826	LIAXUKNXTOITAY-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117532
c1(C(F)F)c2CCCc2n(CC(=O)NCCCn2c(c(Cl)c(C)n2)C)n1	TIMTEC136419,EMOLS-id_8867703,ZINC22_36614082,MCULE-2996145239,PC-id_19591096	385.839	DXYBWNHXOVJLID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117533
c1(NC(=O)c2c(cccc2Cl)F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_3008417,CoCoCo_2666499,PC-id_5222680,EMOLS-id_16383082,MCULE-5021121397	385.841	UZUPSBKDZOLWBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117534
Fc1ccc(cc1Cl)C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100176419	385.841	XISPYLJMFQGYEY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117535
Fc1ccc(c(c1)Cl)C1OCCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100231714	385.841	XXGKACAHNXMMKP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117536
Fc1cccc(Cl)c1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324837625	385.842	GDQLSIQIAMEBHU-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117537
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CCc1ccccc1	MCULE-3351040028	385.842	GDQLSIQIAMEBHU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117538
c1(c(C)cnn1Cc1ccccc1Cl)NC(=O)NCc1nnc2CCCn12	EMOLS-id_49675316,ZINC22_97758020,PC-id_74247956,MCULE-2265878741	385.851	UDKTZQUYYZKXDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117539
C#CCOc1cc(Cl)cc(c1N=c1snc2n1CC(S2=O)(C)C)F	PC-id_101659652	385.864	SRESMLKEQJYTGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117540
COCC(Oc1ccc(cc1S(=O)(=O)N1Cc2c(C1)cnn2C)Cl)C	MCULE-1319831792,EMOLS-id_316415301	385.866	BAAOIDNUCQFVGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117541
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)Cl)C2)sc2c(CCC2)c1C#N	EMOLS-id_182612523,PC-id_108800128,MCULE-6834031403	385.867	SJCGWQGUGHINNI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-117542
Clc1cc(N2CC(CC2=O)C(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_17321996	385.867	ZZTFSZMJDZAMLD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-117543
O=C(Cn1cccn1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2	PC-id_71897637,EMOLS-id_44526542,MCULE-6117603115,ZINC22_84615235	385.867	JEMCXAGNJPXDAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117544
CCCCc1cc2n(c1C(=O)c1cccc(c1)Cl)CC=C2C(=O)OC(C)C	SCHEMBL11601669,PC-id_70618950	385.884	WXPBWIVBYJMIOC-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-117545
CCOC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_59413002	385.886	XYYFEVFZNNESCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117546
CN(CC(=O)Nc1nc2c(s1)CCC2)S(=O)(=O)c1ccc(Cl)cc1	MCULE-5750298110,ZINC22_15636496,PC-id_24245664,EMOLS-id_17205303,CoCoCo_4164099	385.889	ODFKBBAPGPGGAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117547
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCC3)c1	EMOLS-id_17200872,ZINC22_15636901,CoCoCo_4164268,PC-id_24244162,MCULE-2149695266	385.889	KCRSKOZZHNAHSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117548
CS(=O)(=O)N(CC(=O)Nc1nc2c(s1)CCC2)c1cccc(Cl)c1	CoCoCo_4164242,EMOLS-id_29970214,ZINC22_39995698,PC-id_45853076,MCULE-2150274839	385.889	JSINMPOVATVKTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117549
c1(NC(=O)c2cnc(c3ccccc3Cl)s2)sc2c(CCC2)c1C#N	MCULE-4364222197,EMOLS-id_322835898	385.89	ZROZCBBYGYDUKQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117550
c1(NC(=O)c2cnc(c3ccc(cc3)Cl)s2)sc2c(CCC2)c1C#N	MCULE-8320387765,EMOLS-id_322836154	385.89	FUQDNUAIHCRQLB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117551
n12nc(nc1sc(=Cc1sccc1C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2988020120	385.89	HRETXJOPNWBKTQ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117552
c1(NC(=O)CC(c2ccc(cc2)Cl)Cn2cccc2)sc2c(CCC2)n1	MCULE-6378777388,EMOLS-id_323227746	385.91	CIOUUQOTXOUJFG-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-117553
N#Cc1c(NC(=O)CCN2CCC2c2ccc(cc2)Cl)sc2c1CCC2	MCULE-8886169832,PC-id_121559842,EMOLS-id_76011273	385.91	ANAACAFNWBNULE-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-117554
N#Cc1c(NC(=O)CCN2CC[C@H]2c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_253417228	385.91	ANAACAFNWBNULE-KRWDZBQOSA-N	00001010100000110000100010000000000000000000000000000000	25-01-117555
N#Cc1c(NC(=O)CCN2CC[C@@H]2c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_253417233	385.91	ANAACAFNWBNULE-QGZVFWFLSA-N	00001010100000110000100010000000000000000000000000000000	25-01-117556
C#CCSc1cc(N=c2snc3n2CC(S3)(C)C)c(cc1Cl)F	PC-id_101659657	385.93	VSGNDCACBRDMKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117557
Clc1cccc(c1)CCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109948	385.93	NYPYJYYSTYVQFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117558
CC1=C(SC(=O)N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872135	386.072	UHWXMTYJIJJZJU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117559
Brc1cncc(c1CNC1CC(n2c1ncc2)C)Br	EMOLS-id_318075125	386.085	WKSHFYHFJNPWRF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-117560
CC1=NC2=C(S1)CN(C2)C(=O)CC3=C(C=CC(=N3)C4=C(C=C(C=C4)F)F)N	PC-id_160785182	386.101	SBCLTBWUAIRCGH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-117561
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1CC3=CC(=CC=C3)COCCF	PC-id_160714950	386.137	RSIRIBRILQYCRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117562
BrC(c1sc2c(CCC2)c1)Cc1cc(Br)ccc1	PC-id_63529237	386.145	WHLOBAKDRNPSJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117563
BrC(c1sc2c(CCC2)c1)Cc1ccc(Br)cc1	PC-id_63543447	386.145	IOFXJPVGUHAALE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117564
C1C=NN([C@@H]1C2=CC(=CC(=C2)F)F)C(=O)N3CC(C3)CN4CC5=C(C4)NN=C5	PC-id_151605512	386.167	QLJMQZLPQRFXCQ-SFHVURJKSA-N	00001011100000110001100010000000000000000000000000000000	25-01-117565
CS(=O)(=O)N1C=C2CN(CC2=N1)CC3(CC3)CNC4CC4C5=CC=CC=C5	PC-id_147086873	386.178	BIABTEMORYWFKE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-117566
CS(=O)(=O)N1C=C2CN(CC2=N1)CC3(CC3)CN[C@H]4CC4C5=CC=CC=C5	PC-id_147086874	386.178	BIABTEMORYWFKE-ZVAWYAOSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-117567
CS(=O)(=O)N1C=C2CN(CC2=N1)CC3(CC3)CN[C@H]4C[C@@H]4C5=CC=CC=C5	PC-id_155265789	386.178	BIABTEMORYWFKE-MSOLQXFVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-117568
C1CC2=CSC(=C2C1)CNCCC3(CCOCCOCC3)C4=CC=CC=N4	PC-id_155054288	386.203	KHIATVSLUWONAQ-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-117569
CC1CCc2c1c(CO)nn2Cc1cc(F)ccc1I	MCULE-2072884614,EMOLS-id_331009276	386.203	ITICJCQTJSYTNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117570
CC1CCc2c1c(CO)nn2Cc1c(F)cccc1I	EMOLS-id_331009020,MCULE-1776641474	386.203	UEGTYRIRECALHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117571
CC1CCc2nn(Cc3cc(F)ccc3I)c(CO)c12	EMOLS-id_330992055,MCULE-8818193868	386.203	KOWJUASRKOWEDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117572
CC1CCc2nn(Cc3c(F)cccc3I)c(CO)c12	EMOLS-id_330991799,MCULE-5819258120	386.203	DYVXHCADERCKEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117573
COc1cccc(Cn2nc3CCC(C)c3c2I)c1F	MCULE-8334852513,EMOLS-id_330962100	386.203	LSGZDRMQDCQJIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117574
COc1cccc(Cn2nc(I)c3C(C)CCc23)c1F	EMOLS-id_330978040,MCULE-5528519966	386.203	CEVOPNNQVBNYME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117575
COc1cccc(F)c1Cn1nc2CCC(C)c2c1I	EMOLS-id_330961334,MCULE-4749970345	386.203	NEGYEPCLGIBGEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117576
COc1cccc(F)c1Cn1nc(I)c2C(C)CCc12	MCULE-4213211883,EMOLS-id_330981369	386.203	JZBRUGHWBWTAAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117577
COc1ccc(Cn2nc3CCC(C)c3c2I)cc1F	EMOLS-id_330963636,MCULE-7541504356	386.203	TVVIRWQTMCYEAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117578
COc1ccc(Cn2nc3CCC(C)c3c2I)c(F)c1	MCULE-1680630078,EMOLS-id_330963892	386.203	USXKIRYOEYXBMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117579
COc1ccc(Cn2nc(I)c3C(C)CCc23)cc1F	EMOLS-id_330979576,MCULE-3208825790	386.203	ZWRPXKCINYGPKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117580
COc1ccc(Cn2nc(I)c3C(C)CCc23)c(F)c1	MCULE-3146523883,EMOLS-id_330979832	386.203	UKKXMOLQWNOSND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117581
COc1ccc(F)cc1Cn1nc2CCC(C)c2c1I	MCULE-7745032395,EMOLS-id_330961078	386.203	PWWKQZPVADZYAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117582
COc1ccc(F)cc1Cn1nc(I)c2C(C)CCc12	MCULE-1108364133,EMOLS-id_330981113	386.203	HTYLCKISRJRLDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117583
COc1ccc(F)c(Cn2nc3CCC(C)c3c2I)c1	EMOLS-id_330961844,MCULE-3960024009	386.203	WLSCQABSSUWSMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117584
COc1ccc(F)c(Cn2nc(I)c3C(C)CCc23)c1	MCULE-1807971079,EMOLS-id_330977784	386.203	NQJDKCARBBFLMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117585
COc1cc(Cn2nc3CCC(C)c3c2I)ccc1F	MCULE-2647514758,EMOLS-id_330962356	386.203	DXHWDZJUHJCMRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117586
COc1cc(Cn2nc(I)c3C(C)CCc23)ccc1F	MCULE-7633613947,EMOLS-id_330978296	386.203	KAFLDULAMLPHKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117587
COc1cc(F)ccc1Cn1nc2CCC(C)c2c1I	MCULE-1918379227,EMOLS-id_330961590	386.203	GLRKBDDCZLSPIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117588
COc1cc(F)ccc1Cn1nc(I)c2C(C)CCc12	EMOLS-id_330977530,MCULE-1121328959	386.203	KXOPDDMIDKRRBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117589
COc1cc(F)cc(Cn2nc3CCC(C)c3c2I)c1	EMOLS-id_330962612,MCULE-2151982244	386.203	WIEJANSHUAUMBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117590
COc1cc(F)cc(Cn2nc(I)c3C(C)CCc23)c1	EMOLS-id_330978552,MCULE-4991769595	386.203	SCSJNVBLYFXWDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117591
COc1c(F)cccc1Cn1nc2CCC(C)c2c1I	MCULE-4641684549,EMOLS-id_330961846	386.203	JBOHUOKNGSIMDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117592
COc1c(F)cccc1Cn1nc(I)c2C(C)CCc12	EMOLS-id_330977786,MCULE-5924469965	386.203	KDCPDPMMTNDRKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117593
O=C(c1ccc(c(c1)O)I)Nc1sc2c(n1)CCC2	PC-id_104627509	386.208	DQSIXTBNAQJWTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117594
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)I	PC-id_104287402	386.208	BUJZEBGABCHNBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117595
OC(=O)C1CCc2c1nc(s2)Nc1cccc(c1)I	PC-id_104287406	386.208	LQMBSAYNCGVFDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117596
OC(=O)C1CCc2c1nc(s2)Nc1ccccc1I	PC-id_113395642	386.208	GTNSSYBTBAWHMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117597
COC(=O)c1sc2c(c1Br)CN(C(=O)c1[nH]c(O)nc1C)C2	MCULE-6683934758,EMOLS-id_316338616,ZINC22_856432629	386.221	AEFXCUXXFFVCGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117598
Clc1c(C(=O)c2n(c3c(OC(=O)C3)c2)Cc2ccccc2)ccc(Cl)c1	SCHEMBL7678040,PC-id_18424164	386.228	TUDYBKCFOBUCNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117599
Brc1c(n2CCC(c2c1)C(=O)OCC)C(=O)c1ccc(cc1)C#C	SCHEMBL10812495,PC-id_20253952	386.239	MWSSYPQFGVBPPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117600
Cn1nc2c(c1NC(=O)c1cc(c3ccc(Br)cc3)[nH]n1)CCC2	ZINC22_518641843	386.246	YVJDOLKQYASLEA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117601
Brc1oc(C(=O)Nc2n(nc3c2C[S+]([O-])C3)C(C)(C)C)cc1	ChEMBL-DNDi_CHEMBL1401094,CHEMBL1401094,PC-id_2160268	386.264	XEGYXMYYRHTJGZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-117602
Brc1oc(C(=O)Nc2n(nc3c2C[S@@](=O)C3)C(C)(C)C)cc1	CoCoCo_4984976,PC-id_11877647	386.264	XEGYXMYYRHTJGZ-JOCHJYFZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-117603
Brc1oc(C(=O)Nc2n(nc3c2C[S@](=O)C3)C(C)(C)C)cc1	PC-id_11863810,CoCoCo_4984975	386.264	XEGYXMYYRHTJGZ-QFIPXVFZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-117604
Brc1c(scc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_63172850	386.284	MVKMRUFINCNYJN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117605
Brc1scc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_60955675	386.284	SMKUCBJILSEMGQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117606
Brc1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)cc1C	PC-id_79975508	386.284	KADIZXDEYZCOAI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117607
c1(NC(=O)c2ccc(Br)s2)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL7948156,CoCoCo_542969,TIMTEC589979,ZINC22_1055721,MCULE-6952872748,BindingDB_PC-id_1246977,BindingDB-id_83746,EMOLS-id_2043146,PC-id_1246977,CHEMBL1310611	386.284	ZDVVDPVIAGPVID-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117608
CC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)c1ccsc1	EMOLS-id_320203468,MCULE-2371479661	386.284	ZZFUMORHVGCIAU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117609
OCC(C(C1CCCCC1)O)NC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_258144064,MCULE-6678550318	386.284	RSXVEOXYSDUKRB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117610
Cn1nc2c(c1CNCc1ccn(c3ccc(Br)cc3)n1)CCC2	ZINC22_922340995	386.289	JGXZDZLGECMHBP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117611
c1(C(=O)OCC)c2CCCc2sc1NCc1cc(Cl)cc(Cl)c1O	CoCoCo_6876804,MCULE-5143687013,EMOLS-id_4488705,SPECS-id_AE-848/12530133,PC-id_1206176,ZINC22_975729,STOCK3S-21731	386.293	TVTTYHSQHJBWBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117612
c1(NC(=O)c2ccc(cc2Cl)Cl)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_5442859,MCULE-3076375521,PC-id_2160396	386.296	FDORYNXUCFJSAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117613
c1(NC(=O)c2cc(Cl)ccc2Cl)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160405,MCULE-4932635904,EMOLS-id_5442877	386.296	IOMVLCIMTKQCIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117614
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)n(C)nc2CSCc12	EMOLS-id_334566064,MCULE-7973180155	386.296	ZHDQMJGKQLBMRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117615
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)C[S@@](=O)C2	ZINC22_2725029,CoCoCo_4985416,PC-id_11877753	386.296	FDORYNXUCFJSAU-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-117616
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)C[S@](=O)C2	ZINC22_4106176,CoCoCo_4985415,PC-id_11863904	386.296	FDORYNXUCFJSAU-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117617
CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)C[S@@](=O)C2	PC-id_11877755,CoCoCo_4985434,ZINC22_2725038	386.296	IOMVLCIMTKQCIH-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-117618
CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)C[S@](=O)C2	ZINC22_4106180,PC-id_11863906,CoCoCo_4985433	386.296	IOMVLCIMTKQCIH-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117619
Clc1ccc(cc1Cl)C1CCCN1S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201203	386.296	QAIWUTCQONMNKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117620
Fc1ccc(c(c1)F)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cn[nH]2)[N+](=O)[O-]	PC-id_142402223	386.312	MRDQFNWQNIFMQB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-117621
CC1n2cc(nc2O[C@]1(C)N(Cc1ccc(cc1)OC(F)(F)F)C)[N+](=O)[O-]	PC-id_69481747,SCHEMBL5544274	386.326	RJQREMWIVHADHC-WRXSAAJRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117622
CC1n2cc(nc2OC1(C)N(Cc1ccc(cc1)OC(F)(F)F)C)[N+](=O)[O-]	SCHEMBL5544268,PC-id_69481746	386.326	RJQREMWIVHADHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117623
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccc(cc1)OC(F)(F)F	PC-id_69481745,SCHEMBL5544262	386.326	XBAPCUILVXYCFD-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117624
FC(F)(F)Oc1ccc(CN(CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)cc1	PC-id_77659737	386.326	XBAPCUILVXYCFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117625
Brc1c(cc(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1)C	PC-id_63422395	386.327	RNIIIDQWVZFSEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117626
Brc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)c(cc1)C	PC-id_63422394	386.327	ARPQTAAPFIBCMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117627
Brc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)ccc(c1)C	PC-id_61209155	386.327	BIIJECFPUXQRGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117628
BrCc1ccc(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1	PC-id_65480825	386.327	IQINTFGOJUXGIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117629
CCC(C(=O)Nc1n[nH]c(n1)C(=O)OC)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8868076,MCULE-7403549531,PC-id_19591264	386.329	SWEBHMJITSALQW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117630
CC[C@@H](C(=O)Nc1n[nH]c(C(=O)OC)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607561,PC-id_29092474	386.329	SWEBHMJITSALQW-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117631
CC[C@H](C(=O)Nc1n[nH]c(C(=O)OC)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607562,PC-id_29092476	386.329	SWEBHMJITSALQW-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117632
Brc1sc(C(=O)Nc2n(nc3c2CSC3)C(C)(C)C)cc1	PC-id_4612507	386.33	WQKDBJSOYVBZMN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-117633
s1c2C(O)(C(=Cc2cc1)C(O)(c1ccsc1)C(F)(F)F)C(F)(F)F	PC-id_15362726	386.333	PSNNOQVLGBSLQP-UHFFFAOYSA-N	00000011100100000000000010000000000000000000000000000000	25-01-117634
O=C(N[C@@H]1C(=O)N[C@@H]1Cn1nc2c(n1)CN(C2)C(=O)O)OCc1ccccc1	SCHEMBL17093617,PC-id_118379410	386.362	YPCRMNNDYYPQFJ-KGLIPLIRSA-N	00001010100000110001000010000000000000000000000000000000	25-01-117635
O=C(C(Cc1cc2c([se]1)C(N(C2(C)C)[O])(C)C)N)OC(C)(C)C	PC-id_101507343	386.368	BCTREAJQTXEWKK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-117636
FC(F)(F)c1ccc(c2c(C(=O)NCc3n4CCCc4nn3)cccc2)cc1	PC-id_52375829	386.37	ZCTCBLVWTSFENU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117637
Nc1sc2c(n1)CN(C2)C[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)N	PC-id_117980014,SCHEMBL16601575	386.377	IESGSTMJAGAFHM-AVPPRXQKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117638
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)c1ccccc1)C(=O)[O-]	PC-id_89437268,SCHEMBL14775069	386.382	SMPOZJKWBXSPCW-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-117639
O1C(CN2CCN(CC2)c2ccc(cc2)C(=O)[O-])(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481569,SCHEMBL5543339	386.382	KEMHODIAPWABEW-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-117640
O1[C@@](CN2CCN(CC2)c2ccc(cc2)C(=O)[O-])(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481572,SCHEMBL5543347	386.382	KEMHODIAPWABEW-SFHVURJKSA-M	00000010100010110001100010000000000000000000000000000000	25-01-117641
CCOC(=O)C1CCc2sc(NC(=O)c3nc(no3)c3cnccn3)nc12	EMOLS-id_31212926,MCULE-6838914132,PC-id_49676455	386.385	NJLGJKWGXJDLHQ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117642
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3nc(c4cnccn4)no3)nc12	ZINC22_44225241,PC-id_52200246	386.385	NJLGJKWGXJDLHQ-MRVPVSSYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117643
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3nc(c4cnccn4)no3)nc12	ZINC22_44225244,PC-id_52200247	386.385	NJLGJKWGXJDLHQ-QMMMGPOBSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117644
s1c2c(CCC2)c(c1NC(=O)Cn1c(noc1=O)c1ncccn1)C(=O)N	PC-id_56288250	386.385	SCFXBLFRUQLALD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117645
Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_6579971,PC-id_40441019,ZINC22_2780841	386.392	IILMPJHCSHRTKK-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117646
Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_40441018,ZINC22_2780840,CoCoCo_6579970	386.392	IILMPJHCSHRTKK-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117647
CC(C(=O)Nc1sc2CCCc2c1C(=O)N)n1nc(cc1C)C(F)(F)F	EMOLS-id_4063896,MCULE-1958240227,PC-id_4771238,TIMTEC215650	386.392	IILMPJHCSHRTKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117648
c1(CN(Cc2ccco2)C(=O)Nc2c(cccc2F)F)c2CCCc2n(C)n1	PC-id_86266541,MCULE-1454706992,EMOLS-id_50145256	386.395	MSNCAFFEBJLURH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117649
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CC1(F)F)OC(C)C	SCHEMBL17214237,PC-id_118479389	386.395	BLXYGDYAZVDSQZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-117650
O=C(c1cc2n(n1)CCC2)N1CCCN(c2nnc(C(F)(F)F)s2)CC1	EMOLS-id_316153643,ZINC22_562707803,MCULE-5056153976	386.395	HQCYHANJZHKOIG-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-117651
O(C(=O)c1c2n(CCC2)c(c1C(=O)OC)CCCc1ccc([N+](=O)[O-])cc1)C	PC-id_10738895	386.398	QUICULRYLLIFGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117652
c12nc(sc1CN(Cc1ccc(cc1)F)C2=O)NC(=O)NCc1ccco1	PC-id_53188487,EMOLS-id_33030438,MCULE-5353217387	386.4	PSZUCJYYDJISRB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117653
c1(C(=O)OC)nc(sc1c1ccc(cc1)F)NC(=O)c1c2CCCc2[nH]n1	MCULE-3196348187,EMOLS-id_323256502	386.4	VNQBOERCBRKSOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117654
c1(C(=O)OC)nc(sc1c1cccc(F)c1)NC(=O)c1c2CCCc2[nH]n1	EMOLS-id_323260085,MCULE-5356087005	386.4	ZOCDMSWIVMILAO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117655
S1Cc2c(noc2NC(=O)C(n2nc(ccc2=O)c2ccc(F)cc2)C)C1	PC-id_49705372	386.4	KHGSUZNXRWWMNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117656
COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99516158	386.402	PDHJVPUGFJYXPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117657
CCCC[Sn](c1sc2c(c1)C(=O)N(C2)C)(CCCC)CCCC	PC-id_140122534	442.237	OAJLCWKFAPLKLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140034
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1N(=O)=O)C#N	MCULE-1761772807,EMOLS-id_328221310	386.403	SIVRMBNZUFSQTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117658
NC(=O)c1c(NC(=O)Cn2nnc(c3cccc(F)c3)n2)sc2c1CCC2	EMOLS-id_11903398,PC-id_17548207,ZINC22_9446556,CoCoCo_3951744,MCULE-4448041209	386.403	MHSTVDZECKPJCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117659
NC(=O)c1c(NC(=O)Cn2nnc(c3ccc(F)cc3)n2)sc2c1CCC2	ZINC22_7606933,PC-id_8710324,CoCoCo_3646923,MCULE-3697003602,EMOLS-id_12009191	386.403	WMGCTPVRVROPLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117660
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1ccccc1	MCULE-6682789672	386.405	KKQWFVNPVIOSQP-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117661
O1C(CN2CCN(CC2)C(=O)Nc2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481280	386.405	HLXDHYUBSXASIS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117662
[O-][N+](=O)c1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)s1	EMOLS-id_324842230	386.405	KKQWFVNPVIOSQP-WQLSENKSSA-N	00000000100100110001000010000000000000000000000000000000	25-01-117663
N#Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL2919410,PC-id_68440934	386.407	HPRZGFGMCGVKNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117664
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL2922535,PC-id_68442024	386.407	WVWXYMDFQHIRKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117665
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(SC(F)(F)F)cc1	PC-id_24502906	386.412	MYFSVWAUDQGGOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117666
c1(c2CCCc2[nH]n1)C(=O)N1CCOCC1CC(=O)NCc1ccccc1F	PC-id_56890676,MCULE-8143458246,EMOLS-id_43092323	386.42	NVMZCSPARFESMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117667
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)N1CCC(CC1)N(C)C	PC-id_97525805	386.42	VZYZZJSBFNASHR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117668
O=C(C[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)NCc1ccccc1F	PC-id_95866822,ZINC22_72418410	386.42	NVMZCSPARFESMB-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117669
O=C(C[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)NCc1ccccc1F	ZINC22_72418411,PC-id_95866823	386.42	NVMZCSPARFESMB-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117670
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-6172885835,PC-id_1180600	386.422	VZLZEAWRNLUZGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117671
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-8157540338,PC-id_4678927	386.422	KVICXUPNMKNDRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117672
c1(NC(=O)COC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C#N	TIMTEC22167,ZINC22_646741,MCULE-2147316229,EMOLS-id_1512903,BAS-09521330,SPECS-id_AP-906/42845921,CoCoCo_380285,PC-id_993414	386.422	OIODOIGLBXJFNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117673
c1(NC(=O)COC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	MCULE-9005075043,BAS-08765240,CoCoCo_375905,PC-id_1092080,ZINC22_812733,EMOLS-id_1508495	386.422	GGKKHWYQWVFJRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117674
CCOC(=O)c1c(NC(=O)/C=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_1673913	386.422	VZLZEAWRNLUZGY-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117675
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_5855119	386.422	KVICXUPNMKNDRV-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117676
CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2CCCc12	CoCoCo_1673912,PC-id_1180601,ZINC22_939154,EMOLS-id_625680,ChemDIV1683-0651	386.422	VZLZEAWRNLUZGY-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117677
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	CoCoCo_5855118,TIMTEC274141,SPECS-id_AT-084/J158750,ZINC22_5461190,PC-id_6183788,SPECS-id_AN-153/I123335,EMOLS-id_26506817	386.422	KVICXUPNMKNDRV-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117678
COC(=O)c1c(NC(=O)COC(=O)/C=Cc2ccncc2)sc2c1CCC2	CoCoCo_3695660	386.422	NUZHJERVPRXRQT-WAYWQWQTSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117679
COC(=O)c1c(NC(=O)COC(=O)C=Cc2ccncc2)sc2c1CCC2	EMOLS-id_26156981,MCULE-7808233867,PC-id_4964094	386.422	NUZHJERVPRXRQT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117680
COC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccncc2)sc2c1CCC2	PC-id_5686737,CoCoCo_3695659,ZINC22_5894050	386.422	NUZHJERVPRXRQT-AATRIKPKSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117681
s1c2CCCc2cc1C(=O)OCc1onc(n1)c1c(OC)cc(OC)cc1	PC-id_8218852	386.422	HIUFFZQFUALNDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117682
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C(=O)C)C(=O)NC(=O)OC	PC-id_7521444	386.422	MVCBZSINUIVXII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117683
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C#N)C(=O)OC	PC-id_16511684	386.422	PYGZKZPVDPFKEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117684
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OC)cc(OC)c1)C#N	PC-id_1667703	386.422	SLQOTQIPUFMWGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117685
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OC)cc(OC)cc1)C#N	PC-id_8295283	386.422	ZYDISIWWQLDDQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117686
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OC)c(OC)ccc1)C#N	PC-id_8294470	386.422	LUPCUZBJDCQTEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117687
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(OC)cc1)C#N	PC-id_8904780	386.422	CFCSEXYNFDKESP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117688
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(OC)cccc1)C#N	PC-id_8913094	386.422	YRAKRUBSIRTBOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117689
COc1ccc(/C=c/sc3c(C#N)cc(C(=O)c4ccccc4)n3c2=O)cc1	ZINC22_3444670	386.423	HOLCCCFIYBKJTQ-YBFXNURJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117690
Fc1c(N2CCN(CC2)C(=O)NCc2n3CCCc3nn2)ccc(c1)C(=O)C	PC-id_52380257	386.423	RUUUMQUZMKHCGL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117691
N#Cc1cc(n2c1sc(=Cc1ccc(cc1)OC)c2=O)C(=O)c1ccccc1	EMOLS-id_26190239,MCULE-6163862626	386.423	HOLCCCFIYBKJTQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117692
c1(NC(=O)COc2cccnc2NC(=O)COC)sc2c(CCC2)c1C#N	MCULE-8253929666,EMOLS-id_321806205	386.425	ARFFGYHACCSXGV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117693
c1(NC(=O)COc2cccnc2NC(=O)OCC)sc2c(CCC2)c1C#N	EMOLS-id_321796133,MCULE-9914406671	386.425	BYFZIRPIWLCSNW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117694
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1occc1C	PC-id_141251772	386.425	NWGDSAHIAQYTPE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117695
Cc1ccccc1S(=O)(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1occc1C	SCHEMBL2915439,PC-id_68439617	386.425	ZSKXBUHJNLDSKI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117696
COc1cccc(c1)OCc1occ(n1)C(=O)NCc1cn2c(n1)SCC2	PC-id_42530221,CoCoCo_1410534	386.425	ACAPTNMBKVWALL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117697
O=C(c1cnc2n1CCS2)c1ccc(cc1)N1C[C@@H](OC1=O)CNC(=O)C	PC-id_18713365,SCHEMBL7707269	386.425	ADEFOGGGYGFXEB-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117698
O=C(c1occc1C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68439572,SCHEMBL2915332	386.425	VBLZZKIOOVOKAC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-117699
O=C(Cn1ncc2c1CSC2)NC(c1ccccc1)CN1C(=O)COC1=O	PC-id_92119755	386.425	YHXVPIWKBVSEGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117700
s1c2CCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(NC2CC2)cc1	PC-id_26872550	386.425	SJHCKYVNIFJJAW-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-117701
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cccnc1)C(=O)OCC	PC-id_19659985	386.425	XQMJYZQDYPPWAX-KEBDBYFISA-N	00000010100000101000000010000000000000000000000000000000	25-01-117702
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cccnc1)C(=O)OCC	PC-id_73634452	386.425	XQMJYZQDYPPWAX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117703
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccncc1)C)C(=O)OC	PC-id_5206926	386.425	PSVLTXOCAUNCLK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117704
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccncc1)C)C(=O)OC	PC-id_6301053	386.425	PSVLTXOCAUNCLK-UFFVCSGVSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117705
S1CCn2c(C(=O)c3ccc(N4CC(OC4=O)CNC(=O)C)cc3)cnc12	PC-id_22624212	386.425	ADEFOGGGYGFXEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117706
Cc1ccc(cc1)SCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518595	386.428	IDNHDQCNYPXKOH-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117707
Cc1ccc(cc1)SCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518596	386.428	IDNHDQCNYPXKOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117708
Cc1cc(nn1c1nn(c(=O)cc1)C(C)C(=O)Nc1c2CSCc2no1)C	PC-id_90518019	386.428	JFEIVOFQOBIWKM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-117709
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC(F)(F)F)C#N	PC-id_24683967	386.435	VWLNXMHAVNNQEZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117710
o1c2c(C(C(O)C2)C=CC(O)COc2ccccc2)cc1CCCCC(=O)O	PC-id_76118324	386.438	SCHZVKGZUWVPCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117711
o1c2c([C@H]([C@H](O)C2)C=C[C@@H](O)COc2ccccc2)cc1CCCCC(=O)O	PC-id_54298274	386.438	SCHZVKGZUWVPCM-XFQXTVEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117712
o1c2c([C@H]([C@H](O)C2)/C=C/[C@@H](O)COc2ccccc2)cc1CCCCC(=O)O	SCHEMBL10963675,PC-id_70481717	386.438	SCHZVKGZUWVPCM-ZVHFGJOCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117713
CCOC(=O)c1c2C(C)CCc2nn1C(C)c1c(OC)cccc1OC(=O)C	EMOLS-id_330982834,MCULE-1506436538	386.442	BAGRXMHMVXNLMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117714
CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_27357534,MCULE-5746850805,CoCoCo_3588427,CoCoCo_3588426,ZINC22_3541822,PC-id_2658668	386.443	SBBXRVMVWQCUKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117715
O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1F)NCc1n[nH]c2c1CCC2	GD-id_ZINC11820159	386.443	RRDZYGBQYUXVBV-GOSISDBHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117716
s1c2CCCc2c(c1NC(=O)CN(CC(=O)Nc1ccc(F)cc1)C)C#N	PC-id_9253530	386.443	SAVAYHIZMJWMJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117717
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)Cc3cc(OC)ccc3OC)C2)n1	EMOLS-id_316329273,MCULE-1530290581	386.445	ZMEDTTIKGDDDGE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117718
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)Cc3cc(OC)ccc3OC)C2)n1	MCULE-3360089418	386.445	ZMEDTTIKGDDDGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117719
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)CCc3ccc(cc3)OC)C2)n1	MCULE-8881130817,EMOLS-id_316331836	386.445	QEOZHYWXSWGNAD-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117720
c1(C(=O)NCCOC)cc2n(CC(NC(=O)CCc3ccc(cc3)OC)C2)n1	MCULE-3575099386	386.445	QEOZHYWXSWGNAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117721
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)CCc3ccc(cc3)OC)Cc12	MCULE-8045857934,EMOLS-id_316322102	386.445	BFRDLIJOLJROMI-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117722
c1(C(=O)NCCOC)cnn2CC(NC(=O)CCc3ccc(cc3)OC)Cc12	MCULE-6955420762	386.445	BFRDLIJOLJROMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117723
COc1cc(NC(=O)C(C)(C)C)c(cc1OC)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_318010092	386.445	RRVAYAUZUNQUTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117724
CN(CC(=O)Nc1nc(c2ccc(F)cc2)cs1)Cc1nnc2n1CCC2	MCULE-2592488526,ZINC22_79025673,PC-id_72103169,EMOLS-id_43407319	386.446	PWRYNLCSGCWPHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117725
CSc1ncc(C(=O)NCCc2nnc3n2CCC3)n1c1ccc(F)cc1	EMOLS-id_30061715,PC-id_45912333,CoCoCo_4944658,MCULE-3521028623,ZINC22_40151103	386.446	YADXGYSGNUCHOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117726
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cn1)C=CC(=O)N	MCULE-6009566373	386.446	NMRBNGRCFGWLIB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-117727
NC1=N[C@](C=CS1)(C)c1cc(ccc1F)NC(=O)c1nn2c(c1)N(CC2)C	SCHEMBL12358768,PC-id_68254093	386.446	DXBSZQKVRIZOFD-SFHVURJKSA-N	00000010100011110001100010000000000000000000000000000000	25-01-117728
NC(=O)/C=C/c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1	EMOLS-id_328223355	386.446	NMRBNGRCFGWLIB-PKNBQFBNSA-N	00000010100000111000000010000000000000000000000000000000	25-01-117729
O=C(NCc1ccc(Oc2ccc(cc2)C#N)cc1)c1n(nc2C(CCc12)C)C	PC-id_15008463	386.446	UDKBGMNTULYEFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117730
S1C=CC(N=C1N)(c1cc(NC(=O)c2nn3CCN(c3c2)C)ccc1F)C	PC-id_77442805	386.446	DXBSZQKVRIZOFD-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-117731
Cc1c(c(=O)[nH]c(n1)N1CCOCC1)CCC(=O)Nc1c2CCCc2nn1C	EMOLS-id_97740698,PC-id_137221248	386.448	VAUVCACJFMOZBT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-117732
Cc1occc1c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)o1	MCULE-8020506363,ZINC22_7194320,EMOLS-id_11871140,CoCoCo_3110912,PC-id_8302422	386.448	DJAIOZCRKJDHRU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-117733
CC(C)(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)Nc1ccc(cc1)OC	PC-id_134798078	386.448	VSAIZWSHQMZESC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117734
CCOC(=O)n1c(c2CNC(c2n1)(C)C)NC(=O)c1c(cc(cc1)N(C)C)N	SCHEMBL15338602,PC-id_89864893	386.448	FHMSDPWSEQKBPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117735
CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)nn(c2N)C(=O)O)C	SCHEMBL1940898,PC-id_67219530	386.448	MVTZFOKIHNHMSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117736
O1CCN(c2nc(NCc3n[nH]c4c3CCC4)ncc2C(C)(C)C(=O)O)CC1	PC-id_72858627	386.448	XXZOOGZYDWBLQC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-117737
c1(c2ccco2)nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-8103482257,EMOLS-id_335743651	386.451	WLLAIBNABWPTBI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-117738
c1(C(=O)N2CCN(CC2)CCNc2c(C)n[nH]c(=O)n2)c2CCCc2n(C)n1	PC-id_84467188,EMOLS-id_320480522,MCULE-9752080201	386.451	GOQAZJZMASREII-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-117739
O(C(=O)c1c(NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)n[nH]c1C)CC	PC-id_59247763	386.451	IADSYVDGZXXQDW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-117740
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)Cc1occc1)C#N	PC-id_18140700	386.451	VIYGFLKUIMMIFT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-117741
CC(C)(C)[Si](C)(C)OC1Cc2cc(nn2C1)OS(=O)(=O)C(F)(F)F	PC-id_90205417,SCHEMBL15778801	386.463	DCKDITCFQZECAK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117742
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCc1cccs1	EMOLS-id_44303582,ZINC22_96146804,PC-id_97442331	386.463	DBSZJPPOUFDCPH-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-117743
Fc1ccc(CN2CCCC(O)(CN(Cc3n[nH]c4c3CCC4)C)C2=O)cc1	PC-id_56752229	386.463	JSJVGXDPBDNFKC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117744
c1(c2CCCc2sc1NC(=O)C1CCCO1)C(=O)Nc1ccccc1OC	EMOLS-id_13329640,MCULE-7148310435,TIMTEC505070,PC-id_17173553	386.465	VNDRVDKLQOCEEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117745
c1(c2CCCc2sc1NC(=O)C1CCCO1)C(=O)Nc1cccc(OC)c1	TIMTEC29528,PC-id_17173579,MCULE-5045587627,EMOLS-id_13329722	386.465	ACXBJUYNZRZJBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117746
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccc(cc1)C	ZINC22_17078893,MCULE-4657128718,CoCoCo_6832241,PC-id_17377368,EMOLS-id_4064284,TIMTEC452010	386.465	SLXXNLMWBSPBOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117747
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccccc1C	ZINC22_17078894,PC-id_17377382,MCULE-4044143552,TIMTEC506731,EMOLS-id_4064286,CoCoCo_6832309	386.465	VOZHBGMSTGDWLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117748
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)NC	MCULE-5383127060	386.465	NVEVPXNIKKVNQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117749
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)N	MCULE-8932544557	386.465	UHEIATYOGIZRQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117750
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NC	MCULE-4586990093	386.465	XWGSJIUSSZHFEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117751
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_2939111,MCULE-7833003231	386.465	MVUUWYAGZKEYGD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-117752
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)NC	MCULE-9120450225	386.465	VQCYUYSEAMNJRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117753
c1(NC(=O)CCCC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccccc1	PC-id_17377141,MCULE-4266817574,TIMTEC207003,EMOLS-id_4064280,CoCoCo_6831759,ZINC22_17078892	386.465	HYXFFBMWRKKEDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117754
c1(NC(=O)CCC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccc(C)cc1	PC-id_6465911,TIMTEC397078,CoCoCo_1045050,ZINC22_6700316,EMOLS-id_2545154,MCULE-8652981915	386.465	QCRLWECZTRNENO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117755
c1(NC(=O)COc2ccccc2OCC=C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330329,MCULE-5669740767	386.465	JMXSFESIRMTOFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117756
Cc1cccc(NC(=O)CNC(=O)COC(=O)c2cc3c(s2)CCC3)c1C	PC-id_7238937,ZINC22_4462481,CoCoCo_2840966,MCULE-4033067543,EMOLS-id_3701480	386.465	HGNWZZWKULDACJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117757
Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cc3c(s2)CCC3)cc1	ZINC22_4581395,MCULE-6221208111,PC-id_7291829,EMOLS-id_31833171	386.465	RNTQUXLHEFQHHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117758
CC(C)(C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	PC-id_7984621,EMOLS-id_43718046,MCULE-5903697104,CoCoCo_2905663,ZINC22_6467441	386.465	BTVVYANVUNVVAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117759
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N)cc1OC	PC-id_84417640,EMOLS-id_181348390	386.465	UHEIATYOGIZRQC-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117760
CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(=O)N(C)C)sc2CCCc12	EMOLS-id_328181469,MCULE-8960550774	386.465	KPZDSIBGBCVPLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117761
CNC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2CCCc12	EMOLS-id_334328534	386.465	NVEVPXNIKKVNQF-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117762
CNC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2CCCc12	EMOLS-id_334329558	386.465	XWGSJIUSSZHFEY-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117763
CNC(=O)c1c(NC(=O)/C=C/c2cc(OC)ccc2OC)sc2CCCc12	EMOLS-id_334330333	386.465	VQCYUYSEAMNJRG-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117764
COc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2	CoCoCo_1067129,ZINC22_13329148,PC-id_25754697	386.465	VNDRVDKLQOCEEE-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117765
COc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_1067130,ZINC22_13329146,PC-id_25754696	386.465	VNDRVDKLQOCEEE-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117766
COc1ccc(cc1NC(=O)c1sc2c(c1)CCC2)C(=O)N1CCOCC1	EMOLS-id_44556729,PC-id_71883236,MCULE-6653632628	386.465	MBJYWLMDLOCOBR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117767
COc1cc(CCC(=O)Nc2sc3CCCc3c2C#N)cc(OC)c1OC	MCULE-7495434889,EMOLS-id_322820647	386.465	MHWBJMWHWAIFNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117768
COc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CCCO3)sc3c2CCC3)c1	CoCoCo_1067375,ZINC22_13329150,PC-id_25754698	386.465	ACXBJUYNZRZJBY-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117769
COc1cccc(NC(=O)c2c(NC(=O)[C@H]3CCCO3)sc3c2CCC3)c1	ZINC22_13329152,PC-id_25754699,CoCoCo_1067374	386.465	ACXBJUYNZRZJBY-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117770
O=C(c1coc(n1)C1CCOCC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	MCULE-2269169488,EMOLS-id_97867866	386.465	JEANMLRCECSFMC-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-117771
O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	CoCoCo_928046,PC-id_2188851,ZINC22_2830610	386.465	MVUUWYAGZKEYGD-VFNNOXKTSA-N	00000010101000000000000010000000000000000000000000000000	25-01-117772
O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	PC-id_2188849,ZINC22_2830608,CoCoCo_928049	386.465	MVUUWYAGZKEYGD-MYSGNRETSA-N	00000010101000000000000010000000000000000000000000000000	25-01-117773
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(N2CCOCC2)cc1	ZINC22_4265945,CoCoCo_2840946,EMOLS-id_3673339,MCULE-9364754758,PC-id_7158859	386.465	OJPMODWRCCDXFT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117774
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)/C=Cc1ccco1	CoCoCo_928047	386.465	MVUUWYAGZKEYGD-CKXPSTMWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-117775
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)/C=Cc1ccco1	CoCoCo_928048	386.465	MVUUWYAGZKEYGD-QIAWRQBBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-117776
O=C(Nc1sc2CCCc2c1C(=O)NCC1CCCO1)/C=C/c1ccco1	PC-id_5737870,EMOLS-id_25958223,TIMTEC321092	386.465	MVUUWYAGZKEYGD-CMDGGOBGSA-N	00000010101000000000000010000000000000000000000000000000	25-01-117777
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OCC2OCCC2)cc1	PC-id_46652833	386.465	DLVNZONLTWLJKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117778
s1c2CCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1c(cccc1C)C	PC-id_7623909	386.465	PATPLFSAHYUJLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117779
s1c2c(CCC2)c(c1NC(=O)c1cc(c(cc1)C)C)C(=O)NC(=O)OCC	PC-id_7521532	386.465	DWNGUQXIDUPCCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117780
s1c2c(CCC2)c(c1NC(=O)c1c(ccc(c1)C)C)C(=O)NC(=O)OCC	PC-id_7521568	386.465	LIQMWXNQZDKHBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117781
s1c2c(CCC2)c(c1NC(=O)c1c(cc(cc1)C)C)C(=O)NC(=O)OCC	PC-id_7521569	386.465	KMQNBMFIKAXTHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117782
s1c2c(CCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)NC(=O)OC	PC-id_41618990	386.465	MXEKKTGDSGFDQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117783
s1c2c(CCC2)c(c1NC(=O)Cc1cc(c(cc1)C)C)C(=O)NC(=O)OC	PC-id_41619949	386.465	OAQYYVXEXNVUFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117784
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)NC(=O)OC	PC-id_41676358	386.465	RXBKXLJYFLFJDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117785
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1)C)C)C(=O)NC(=O)OC	PC-id_7597054	386.465	LEZRHGLGIHVRLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117786
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_41617332	386.465	CZLLKHWWTSHUND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117787
s1c2c(CCC2)c(c1NC(=O)CCc1ccccc1)C(=O)NC(=O)OCC	PC-id_7521557	386.465	KBKTYGGMDRPBMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117788
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1ccc(cc1)C)C)C(=O)N	PC-id_9063167	386.465	URHLBBKNRQLEDS-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117789
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1ccc(cc1)C)C)C(=O)N	PC-id_9063169	386.465	URHLBBKNRQLEDS-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117790
s1c2c(CCC2)c(c1NC(=O)CNc1cc(ccc1)C(=O)C)C(=O)OCC	PC-id_7922765	386.465	UNPVVWXZIMTTLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117791
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C(=O)C)C(=O)OCC	PC-id_9080161	386.465	ORBIQSRWFPHICG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117792
s1c2c(CCC2)c(c1NC(=O)CNc1c(cccc1)C(=O)C)C(=O)OCC	PC-id_9103871	386.465	JKNXCUULFKZVFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117793
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cc(cc1C)C)C)C(=O)N	PC-id_3482849	386.465	YYWXTNSQRPVZQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117794
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(C(C)C)cc1)C(=O)N	PC-id_3649442	386.465	VLBIOGIEBGEAAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117795
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1ccc(cc1)C)C)C(=O)N	PC-id_84919563	386.465	URHLBBKNRQLEDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117796
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(c(cc1)C)C)C(=O)N	PC-id_8527122	386.465	GAONYDATOFVWQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117797
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC(c1ccccc1)C)C(=O)N	PC-id_18206083	386.465	ONXLIBUAYFRDGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117798
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(CC)c1ccccc1)C(=O)N	PC-id_24355712	386.465	CUYRYEXGPGHWQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117799
s1c2c(CCC2)c(c1NC(=O)COC(=O)C[C@@H](c1ccccc1)C)C(=O)N	PC-id_7227718	386.465	ONXLIBUAYFRDGN-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117800
s1c2c(CCC2)c(c1NC(=O)COC(=O)C[C@H](c1ccccc1)C)C(=O)N	PC-id_7227719	386.465	ONXLIBUAYFRDGN-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117801
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](CC)c1ccccc1)C(=O)N	PC-id_8753918	386.465	CUYRYEXGPGHWQF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117802
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](CC)c1ccccc1)C(=O)N	PC-id_8753919	386.465	CUYRYEXGPGHWQF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117803
s1c2c(CCC2)c(c1NC(=O)CON=Cc1ccc(cc1)C)C(=O)OCC	PC-id_7705440	386.465	XGSQBEDOQNPYFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117804
s1c2c(CCC2)c(c1NC(=O)CON=Cc1c(cccc1)C)C(=O)OCC	PC-id_78568160	386.465	MLOZMOOHWVPHIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117805
Cc1ccc(cc1)S(=O)(=O)OCCN=C1c2cscc2S(=O)(=O)N1	SCHEMBL10692334,PC-id_136467295	386.466	PZXANKQCJHNQKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117806
CCNC(=NCc1nnc2n1CCC2)N1CC(C)OC(C1)c1ccc(cc1)F	PC-id_109524063	386.466	QCJJIFMXHGDYGC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117807
CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3cccc(C)n3)n[nH]c2C1(C)C	SCHEMBL3327864,BindingDB-id_546074,PC-id_59334013	386.466	QQXRXXYLRNDAPS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-117808
CN=C(NC(c1ccc(c(c1)F)OCC1CC1)C)NCc1nnc2n1CCC2	PC-id_109761225	386.466	XAYQNXLFORUWHP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-117809
O=C(N1Cc2c(C1)c(n(n2)C)N)Nc1ccc(c(c1)F)N(C1CCCCC1)C	EMOLS-id_278705514	386.466	IZOKPPINZYVRPK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117810
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C#Cc1ccccc1	PC-id_24559699	386.466	HMUSBQTYOBXNAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117811
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(scc1)C(=O)OC	PC-id_24563192	386.466	JZYJNGVLRKZPGT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-117812
c12SCCn1cc(CNC(=O)C1CC(=O)N(Cc3ccccc3OC)C1)n2	PC-id_45237763,EMOLS-id_23830699,MCULE-9135911429	386.468	ORZDQYOLSQVUKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117813
c1(N(C)C)ncc(cn1)C=CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-3421022197	386.468	JAVIBJIXOIMVNN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117814
c1(NC(=O)C2CC2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	MCULE-3664470159,ZINC22_23139527,EMOLS-id_24913553,PC-id_30862759,CoCoCo_5277773	386.468	TWENMLYPQNRTDB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-117815
c1(NC(=O)c2cccc(c2C)NC(=O)C2CCCO2)n(C)nc2CSCc12	EMOLS-id_316170213,MCULE-2155952545,PC-id_134706219	386.468	QAJWJYJSANOKJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117816
c1(NC(=O)C2CC(=O)N(Cc3ccccc3OC)C2)n(C)nc2CSCc12	MCULE-7584417137,STOCK7S-65160,EMOLS-id_188941594	386.468	OHZWRDZNLJGBEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117817
c1(NC(=O)c2cnc(cn2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333102,MCULE-4018884408	386.468	PVPXISSMSIHAFD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117818
c1(NC(=O)C=Cc2ccccc2)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862322,MCULE-2091794546	386.468	ZUXWJNCSTSLMHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117819
Cc1c(NC(=O)[C@@H]2CCCO2)cccc1C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529161790	386.468	QAJWJYJSANOKJS-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117820
Cc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)Nc1c2c(nn1C)CSC2	ZINC22_1529161791	386.468	QAJWJYJSANOKJS-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117821
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(CC)nn3c2=O)cc1	EMOLS-id_324843239	386.468	CNRZDUDCUSIASD-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117822
CCOC(=O)c1c(NC(=O)/C=C/c2cnc(nc2)N(C)C)sc2CCCc12	EMOLS-id_328130522	386.468	JAVIBJIXOIMVNN-CMDGGOBGSA-N	00000010100000100001000010000000000000000000000000000000	25-01-117823
Cn1nc2c(c1CNS(=O)(=O)c1cc3c4c(c1)CCN4C(=O)CC3)CCC2	ZINC22_225819351,PC-id_91819431,EMOLS-id_53884731,MCULE-9132650184	386.468	CZGQSOQFDLOFLA-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-117824
COc1ccccc1CN1C[C@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O	ZINC22_604418538	386.468	OHZWRDZNLJGBEL-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117825
COc1ccccc1CN1C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O	ZINC22_604418539	386.468	OHZWRDZNLJGBEL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117826
COc1ccccc1CN1C[C@@H](C(=O)NCc2cn3c(n2)SCC3)CC1=O	CoCoCo_1553094,ZINC22_20325555	386.468	ORZDQYOLSQVUKF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117827
COc1ccccc1CN1C[C@H](C(=O)NCc2cn3c(n2)SCC3)CC1=O	ZINC22_20325561,CoCoCo_1553095	386.468	ORZDQYOLSQVUKF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117828
COCCNC(=O)Cn1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2	CoCoCo_5277590,CoCoCo_5277591	386.468	ZUXWJNCSTSLMHP-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117829
COCCNC(=O)Cn1nc2c(c1NC(=O)/C=Cc1ccccc1)CSC2	EMOLS-id_45809266,ZINC22_35127728	386.468	ZUXWJNCSTSLMHP-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117830
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)CC	MCULE-7322880454	386.468	CNRZDUDCUSIASD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117831
O=C(Nc1nc2c(s1)CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	ZINC22_15636386,MCULE-3460746566,EMOLS-id_29609450,CoCoCo_4164012,PC-id_26723056	386.468	TUAKPNJAEISFGA-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-117832
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_44060386	386.468	SDKDTEMMXJWHDU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117833
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_44060387	386.468	OEEMVSSTSCSJTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117834
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCCCN1CCOCC1	PC-id_59043159	386.468	MLBVNAPDZCQLTC-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-117835
S1Cc2c(nn(c2NC(=O)c2ccccc2)CC(=O)NCC2OCCC2)C1	PC-id_44053126	386.468	CAYKEEUFOYDRRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117836
S1Cc2c(nn(c2NC(=O)C=CC)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053522	386.468	NGEMZOGOEJSGEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117837
C1Cc2c(C1)sc(c2C#N)NC(=O)CCN1CCC(CC1)c1n[nH]c(=O)[nH]1	PC-id_137210515	386.471	LGJJYIKTQZKASP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117838
c1(NC(=O)CNC(=O)N2CCN(CC2)c2ccccn2)sc2c(CCC2)n1	STOCK7S-27957,EMOLS-id_46566407,MCULE-9397715948,EMOLS-id_43038216,ZINC22_72404019,PC-id_60179112	386.471	TXDCDJLKIGYMKN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-117839
CC(C(=O)Nc1c(c2c(s1)CCC2)C#N)N1CCC(CC1)c1n[nH]c(=O)[nH]1	PC-id_137192178	386.471	MAAXTKFSUVTFPK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117840
CC(C(=O)Nc1n(C)nc2c1CCC2)NC(=O)c1sc2c(c1)c(nn2C)C	EMOLS-id_99681908	386.471	LVYPKVJRKVRQPJ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-117841
NC(=O)c1c(NC(=O)CN2CCN(c3cnccn3)CC2)sc2c1CCC2	EMOLS-id_30245310,ZINC22_96988761,MCULE-9887002537,PC-id_35010990	386.471	UZJQHTHNIPONMX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-117842
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCN(CC1)c1ncccn1	CoCoCo_3372467,CoCoCo_3372466,PC-id_8543169	386.471	CTZLIUQUVMJYSE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-117843
s1c2CCCc2nc1CCNC(=O)C1=C(NC(=O)NC1c1nc[nH]c1C)C	PC-id_56710959	386.471	WMFJCGVCBNZZSN-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-117844
s1c2CCCc2nc1NC(=O)Cn1c(nnc1[S-])c1ccc(OC)cc1	PC-id_33040461	386.471	NRLCYPGSRJVZAC-UHFFFAOYSA-M	00000010100000110001100010000000000000000000000000000000	25-01-117845
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCCCCC1	PC-id_1043329,SPECS-id_AG-205/37232001,ZINC22_716602,CoCoCo_700076,EMOLS-id_2105323,TIMTEC396586,MCULE-8344427414,Chemmine_6692	386.483	QCDNJWJMSWBGIU-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-117846
CNC1CCc2c1c[nH]c2S(=O)(=O)C1(C=CC=CC1C)c1ccccc1F	PC-id_141433731	386.483	ZYKMGLJFTOUBQK-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-117847
CCCCc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	PC-id_46861268,EMOLS-id_31548234,MCULE-3868100683	386.486	BXOQOJBVCQLWRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117848
CCCCc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340387,ZINC22_51364436	386.486	BXOQOJBVCQLWRH-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117849
CCCCc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364435,PC-id_52340386	386.486	BXOQOJBVCQLWRH-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117850
CCC(=NCC(=O)N1Cc2c(C1)nc(s2)C)/C=C(/c1ccc(c(c1)F)C)N	PC-id_145587801	386.486	STLYXNRBNMUOOX-PTYKAQPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117851
COc1ccccc1C1(CC1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215931,MCULE-5318098329	386.486	COXODPAPXRWYOE-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-117852
S1(=O)(=O)CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_52712210	386.486	JHNPSXXONBHSLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117853
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_49698322	386.486	OXLCJMCJMDHICJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-117854
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_44086276	386.486	FSMTYNYZKYYLBV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-117855
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_44086872	386.486	CXPPDOZZRQFXBT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-117856
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_49697964	386.486	HNDAHNFHOKYBPD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-117857
c1(NC(=O)c2sccc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9843331045,EMOLS-id_334339247	386.488	GXDMXKAKVDDFGM-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-117858
c1(NC(=O)Cc2cccs2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7628903634,EMOLS-id_334339501	386.488	XIWNGUUOSYJLOW-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-117859
c1(NC(=O)Cc2ccsc2)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_1775976807,EMOLS-id_320465580,PC-id_139582399,MCULE-3157103596	386.488	QHWQVSMYELWHHJ-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-117860
c1(NC(=O)CS(=O)C(C)C(=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320678252,MCULE-4880013427	386.488	KHZGTNFRJAWSTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117861
c1(NC(=O)CS(=O)CC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_320678764,MCULE-2339761618	386.488	XPHZIOGQIGDWQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117862
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1c1nccs1	CoCoCo_2840984,EMOLS-id_3506857,MCULE-6332547417,ZINC22_5308784,PC-id_7623890	386.488	GWLGGENIDVPROQ-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-117863
C[C@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)OC(=O)c1sc2c(c1)CCC2	GD-id_ZINC42089203	386.488	BLLUAGDDTOZMNC-CQSZACIVSA-O	00000010100010101001100010000000000000000000000000000000	25-01-117864
COc1ccccc1N1CCN(CC1)CCCCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_53781250,PC-id_53781250	386.488	DVKSOQUUNYQKSE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-117865
COc1ccc(OC)c(c2csc(NC(=O)c3cc4c(s3)CCC4)n2)c1	CoCoCo_3322700,EMOLS-id_3447081,ZINC22_6787920,MCULE-6818788539,PC-id_4794349	386.488	JQSFLDIWRKWTRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117866
N#Cc1c(NC(=O)CCSCc2ccc(C(=O)O)cc2)sc2c1CCC2	ZINC22_25058546,EMOLS-id_17198756,CoCoCo_4468741,MCULE-5682755533,PC-id_32370725	386.488	WANRSCOEMWLMID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117867
N#Cc1c(NC(=O)COC(=O)CSCc2ccccc2)sc2c1CCC2	CoCoCo_2782126,MCULE-6697407944,ZINC22_5786787,EMOLS-id_3084068,PC-id_3560353	386.488	RVGZFBQQZAQIHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117868
O1CCN(C[C@H](O)COc2cc(CNCc3n[nH]c4c3CCC4)ccc2)CC1	CoCoCo_1491662,CoCoCo_1491664,PC-id_28374695	386.488	STINKVKFCFBDFR-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117869
O1CCN(C[C@@H](O)COc2cc(CNCc3n[nH]c4c3CCC4)ccc2)CC1	PC-id_28374693,CoCoCo_1491665,CoCoCo_1491663	386.488	STINKVKFCFBDFR-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117870
O1CCN(CC(O)COc2cc(CNCc3n[nH]c4c3CCC4)ccc2)CC1	PC-id_45228149	386.488	STINKVKFCFBDFR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117871
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cc(SC#N)cc1C)C	PC-id_7623802	386.488	GLJBNEOZWHGVNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117872
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)Nc1ccccc1	PC-id_7279966	386.488	AYPILNDXHHNUDR-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-117873
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(OC)c(OC)cc1)C)C#N	PC-id_2698925	386.488	STZQJNATKBWMBH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117874
Ic1cc(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_38924962	442.271	KGIANBQUEJWKHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140035
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(OC)cc(OC)cc1)C)C#N	PC-id_2498629	386.488	SKVNOVQFAIXUCP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117875
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(OC)c(OC)ccc1)C)C#N	PC-id_2699302	386.488	WYCIDODKQOIFPQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117876
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(SCC)cccc1)C#N	PC-id_8658456	386.488	RUXLAIBBAUZSMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117877
s1c2CCCc2c(c1NC(=O)COC(=O)CCSc1ccccc1)C#N	PC-id_8821501	386.488	WUIBALWNYZLTPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117878
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](Sc1ccccc1)C)C#N	PC-id_7806400	386.488	UKNLHALQUGVBFC-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117879
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H](Sc1ccccc1)C)C#N	PC-id_7806401	386.488	UKNLHALQUGVBFC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117880
s1c2CCCc2c(c1NC(=O)COC(=O)C(Sc1ccccc1)C)C#N	PC-id_78546053	386.488	UKNLHALQUGVBFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117881
c1(C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)c2CCCc2[nH]n1	EMOLS-id_323255741,MCULE-1720461751	386.489	OSMRANFZLBUMFK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117882
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)c1ccccn1	MCULE-8978419788,EMOLS-id_328337822	386.489	URNNUQWSDXTPOJ-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-117883
c1(NC(=O)c2c(C)nc(c3ccc(cc3)OC)s2)n(C)nc2CSCc12	ZINC22_604418834,EMOLS-id_188942927,STOCK7S-66118,MCULE-5106049210	386.491	JOPMZWCYQFONPG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117884
c1(NC(=O)c2c(C)nc(c3cccc(OC)c3)s2)n(C)nc2CSCc12	STOCK7S-64086,MCULE-7372959032,ZINC22_604418466,EMOLS-id_188940066	386.491	QFWKESCBZPCABE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117885
c1(NC(=O)Cc2csc(c3cccc(OC)c3)n2)n(C)nc2CSCc12	MCULE-7428124489,EMOLS-id_43036277,STOCK7S-26820,ZINC22_72402940,PC-id_60180179	386.491	QHEPQZBBXYRPQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-117886
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccc(c1)OC(C)C)O	PC-id_109491318	386.491	RBHHUNQPPNMMPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117887
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)OC(C)C)O	PC-id_109493617	386.491	PPPOSBOVLUXYSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117888
CCNC(=NCc1nnc2n1CCC2)N(CCc1ccc(c(c1)OC)OC)C	PC-id_111241247	386.491	DWBSNOVGYHLAPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117889
CCOc1cc(ccc1OCC)C(NC(=NC)NCc1nnc2n1CCC2)C	PC-id_111298073	386.491	XBEJEUDCNMDXFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117890
CCOc1cc(CCCNC(=NC)NCc2nnc3n2CCC3)ccc1OC	PC-id_111574153	386.491	SXETXFLAJNCMMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117891
CCOc1cc(CCNC(=NC)NCc2nnc3n2CCC3)ccc1OCC	PC-id_111020295	386.491	UQXSEBVMLZURHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117892
CCOCCCNC(=NCc1ccc(cc1)OC)NCc1nnc2n1CCC2	PC-id_110925133	386.491	VSJIHUOFOBIJDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117893
CCOCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCC2	PC-id_109600986	386.491	BFNPETXONAFVFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117894
COCCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCC2	PC-id_109605082	386.491	XMAKNERBHQWLCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117895
COCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCC2)NCC	PC-id_109626406	386.491	NZSNBYYYPLPELR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117896
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1noc(c1)C)C#N	PC-id_51619907	386.491	ITJKLAZIHHAIQR-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-117897
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncccc1)C(=O)N	PC-id_30135999	386.491	APPUMNDEEWHSGD-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-117898
s1c2c(CCC2)c(c1NC(=O)CSc1nc(cc(c1C#N)C)C)C(=O)N	PC-id_45671492	386.491	SAHVXNDWBUOGBG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-117899
c1(CN2CCC(CC2)C)nnnn1CCCC(=O)NCc1c2CCCc2[nH]n1	MCULE-8534197653,EMOLS-id_48447624,PC-id_72916655,ZINC22_95524100	386.494	HLWYENNERGYSSI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117900
c1(c2CCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccccc1OCC	CoCoCo_1731267,ChEMBL-DNDi_CHEMBL3261-0984,ZINC22_4499591,EMOLS-id_1088283,PC-id_3716013,MCULE-8857623130	386.508	WIJBECPAQKMUKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117901
c1(c2CCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccc(cc1)OCC	PC-id_1047325,EMOLS-id_1936481,SPECS-id_AG-667/37281007,TIMTEC36398,ZINC22_722370,MCULE-4662603947,CoCoCo_5972690	386.508	BJOVPPVHIQVDMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117902
c1(/N=C/c2ccc(cc2O)N(CC)CC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_5854862,TIMTEC145291,SPECS-id_AN-153/I120898,SPECS-id_AG-205/15424757,PC-id_135403944,SPECS-id_AT-084/J158206,MCULE-2392381015,ZINC22_710715,EMOLS-id_26506678	386.508	FHRZOBSYGWKHME-LPYMAVHISA-N	00000010100000110000000010000000000000000000000000000000	25-01-117903
c1(N=Cc2ccc(cc2O)N(CC)CC)sc2c(CCC2)c1C(=O)OCC	MCULE-4311934127	386.508	FHRZOBSYGWKHME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117904
c1(NC(=O)c2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389265,MCULE-5961082563	386.508	RSMWZSRYGBEANI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117905
c1(NC(=O)c2ccc(cc2)N(CC)CC)sc2c(CCC2)c1C(=O)OCC	PC-id_3260759,ZINC22_4064072,EMOLS-id_5470495,MCULE-4629493758,CoCoCo_5014667	386.508	HMBOZMWKJIMADO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117906
c1(NC(=O)c2ccc(cc2)OCCCCC)sc2c(CCC2)c1C(=O)NC	ZINC22_5055717,PC-id_7475017,CoCoCo_2590279,EMOLS-id_16349145,MCULE-8918858623	386.508	NJOAVMCJEUTBDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117907
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387739,MCULE-2614700608	386.508	FXXHICFEODURFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117908
c1(NC(=O)c2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9142463835,EMOLS-id_334387994	386.508	MGMNBFYJYDWODH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117909
c1(NC(=O)c2cccc(OCCCCC)c2)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590277,ZINC22_5055715,EMOLS-id_16349141,PC-id_7475015,MCULE-3054193769	386.508	BDQIUIHUUZCYBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117910
c1(NC(=O)Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387997,MCULE-4274361650	386.508	RJRSRSPYQAQFFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117911
c1(NC(=O)CC2CCCCC2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336164,MCULE-1980333267	386.508	KICQUBVPNSMOSC-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-117912
c1(NC(=O)C(C)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387741,MCULE-6993873334	386.508	YUDKQCQGBSBVFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117913
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1904204435,EMOLS-id_334388251	386.508	OPZRCOHPVADEKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117914
c1(NC(=O)CCCOc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)N	MCULE-7439659567,PC-id_19207340	386.508	SYYNELVOOYYJKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117915
c1(NC(=O)CCCOc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)N	PC-id_19191393,MCULE-5301475260	386.508	XIRKSLRVIMUYNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117916
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NC	MCULE-5156563489,EMOLS-id_334330074	386.508	WKAAWIYVWTUULE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117917
c1(NC(=O)CCCOc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NC	MCULE-2330023709,EMOLS-id_334331097	386.508	IJFCKIYLAMHFHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117918
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)N	MCULE-2665544694,PC-id_19204161	386.508	LEELUOLEABWNOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117919
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330585,MCULE-7702254284	386.508	WRXIXRHPRUATSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117920
c1(NC(=O)C(C)Oc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-7132842056,EMOLS-id_334328537	386.508	CJKDJXHZGNLTLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117921
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)c1C(=O)N	MCULE-6393490660,EMOLS-id_1281566,BAS-00842626,PC-id_1107638,CoCoCo_139733,TIMTEC31583,ChEMBL-DNDi_CHEMBL2159-4041,ZINC22_839335	386.508	XVKBFHUBWNWAHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117922
CCN(C1CCS(=O)(=O)C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3641740252,EMOLS-id_328338844	386.508	HCWRYISVIIJJSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117923
CCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCC2	ChEMBL-DNDi_CHEMBL1534592,CHEMBL1534592,PC-id_1442549,ZINC22_4848722	386.508	SJULWNAGWWLPFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117924
CCOC(=O)c1c(/N=Cc2ccc(cc2O)N(CC)CC)sc2c1CCC2	CoCoCo_5854863	386.508	FHRZOBSYGWKHME-XKZIYDEJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117925
CCOC(=O)c1c(NC(=O)CCc2ccc(cc2)N(C)C)sc2CCCc12	MCULE-9921580890,EMOLS-id_327916216	386.508	ZCBYWOLATZIEED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117926
COc1ccc(c(c1)CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2)OC	EMOLS-id_34312588,CoCoCo_3201814,PC-id_17428611	386.508	OLJLCLOTOYNESF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117927
COc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1sc2c(c1)CCC2	EMOLS-id_11873944,MCULE-7269880715,PC-id_16393548	386.508	DFQSABVJCOMBBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117928
COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCC3)N2CCOCC2)cc1	PC-id_29223176,CoCoCo_3644078,ZINC22_20926708	386.508	DFQSABVJCOMBBV-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117929
COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCC3)N2CCOCC2)cc1	PC-id_29223181,CoCoCo_3644077,ZINC22_20926715	386.508	DFQSABVJCOMBBV-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117930
COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1OC	ZINC22_24336230,CoCoCo_3888970,PC-id_9474873,MCULE-1173805840	386.508	RBZSROSEXPQLAX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117931
COc1ccc(OCCN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	ZINC22_20907716,MCULE-7414543902,CoCoCo_3673424,EMOLS-id_3665411,PC-id_9462844	386.508	TVMGPVRBUJYQCN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-117932
COc1cc(NC2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc(OC)c1	MCULE-6940699067,ZINC22_124631673,EMOLS-id_316808195	386.508	JWKCQRZDEGABEV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-117933
COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc2c(s1)CCC2	CHEMBL1592646,PC-id_9111195,ZINC22_7982742,EMOLS-id_3655418,MCULE-6121769269,ChEMBL-DNDi_CHEMBL1592646,CoCoCo_3223260	386.508	MNACCTZSMWHEMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117934
O=C(C1CCCN(C1)C(=O)C1CC1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101168472	386.508	BMBPUFLSRJDIMP-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-117935
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(N(C(C)C)CC)cc1	PC-id_4359582	386.508	MKZBMZDMNGAGEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117936
s1c2c(CCC2)c(c1N/C=C/1C(=O)C=C(N(CC)CC)C=C1)C(=O)OCC	PC-id_5435727	386.508	PJXYBBZUCFUMLG-YPKPFQOOSA-N	00000010100011000000000010000000000000000000000000000000	25-01-117937
s1c2c(CCC2)c(c1N/C=C
/C(=O)C=C(N(CC)CC)C=C1)C(=O)OCC	PC-id_5959145	386.508	PJXYBBZUCFUMLG-BUHFOSPRSA-N	00000010100011000000000010000000000000000000000000000000	25-01-117938
s1c2c(CCC2)c(c1NC=C1C(=O)C=C(N(CC)CC)C=C1)C(=O)OCC	PC-id_6750144	386.508	PJXYBBZUCFUMLG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-117939
c1(NC(=O)C(Cc2ccccc2)Cc2ccccc2)sc2c(CCC2)c1C#N	CoCoCo_5995855,EMOLS-id_8311530,PC-id_1272910,ZINC22_1088175,MCULE-1240299797	386.509	DJDKILSILYCDFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117940
c1(NC(=O)C(=O)NCCCc2ccccc2)c2CSCc2nn1C(C)(C)C	ZINC22_5438274,CoCoCo_5184719,Chemmine_48493,EMOLS-id_5617922,MCULE-1312514767,PC-id_7685548	386.511	PVAXTMOTTBTFMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117941
Cc1ccnc(c1)OC1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005775	386.511	ISDHXQGFZVKIMQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-117942
Cc1cnccc1OC1CCN(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)CC1	ZINC22_578495327	386.511	LBBYNIWYMYKCPA-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-117943
Cc1cnccc1OC1CCN(C(=O)N[C@H](C)c2nc3c(s2)CCC3)CC1	ZINC22_578495328	386.511	LBBYNIWYMYKCPA-CQSZACIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-117944
CC1OC(C)CN(C1)c1ccc(cn1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180186	386.511	SAZGCOPWAVCKEP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-117945
CC(c1sc2c(n1)CCC2)NC(=O)N1CCC(CC1)Oc1ccncc1C	EMOLS-id_316190246,MCULE-2104750132	386.511	LBBYNIWYMYKCPA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-117946
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)/C=C/c1cccs1)C2	ZINC22_1565554261,EMOLS-id_313735636	386.511	WFDQCSRQDSEWLL-AATRIKPKSA-N	00000010100110000001000010000000000000000000000000000000	25-01-117947
C[C@H](N1CCC[C@H]1c1cccn1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4231272,CoCoCo_4231274	386.511	PDJCJPIMZJKHMJ-WFASDCNBSA-N	00000010110000000000100010000000000000000000000000000000	25-01-117948
C[C@H](N1CCC[C@@H]1c1cccn1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4231273,CoCoCo_4231271	386.511	PDJCJPIMZJKHMJ-SWLSCSKDSA-N	00000010110000000000100010000000000000000000000000000000	25-01-117949
C[C@@H](N1CCC[C@H]1c1cccn1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4231276,CoCoCo_4231278	386.511	PDJCJPIMZJKHMJ-DOMZBBRYSA-N	00000010110000000000100010000000000000000000000000000000	25-01-117950
C[C@@H](N1CCC[C@@H]1c1cccn1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4231277,CoCoCo_4231275	386.511	PDJCJPIMZJKHMJ-IUODEOHRSA-N	00000010110000000000100010000000000000000000000000000000	25-01-117951
CC(N1CCCC1c1cccn1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_317272510,MCULE-8652637593,PC-id_17428108	386.511	PDJCJPIMZJKHMJ-UHFFFAOYSA-N	00000010110000000000100010000000000000000000000000000000	25-01-117952
COc1cccc(c1)CNCCC1CCC(=O)N1Cc1cn2c(n1)SCC2	PC-id_45172344,MCULE-8228757403,EMOLS-id_20408400	386.511	MBXBWIOUDWXGQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117953
COc1cccc(c1)CNCC[C@H]1CCC(=O)N1Cc1cn2c(n1)SCC2	CoCoCo_1142944	386.511	MBXBWIOUDWXGQI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117954
COc1cccc(c1)CNCC[C@@H]1CCC(=O)N1Cc1cn2c(n1)SCC2	CoCoCo_1142945	386.511	MBXBWIOUDWXGQI-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117955
N#Cc1c(NC(=O)C(N2CCC(CC2)N2CCCC2=O)C)sc2c1CCC2	EMOLS-id_98638704	386.511	ZVKOTOWXPFQDDY-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-117956
N#Cc1c(NC(=O)C(N2CCC(CC2)NC(=O)C2CC2)C)sc2c1CCC2	EMOLS-id_99219142	386.511	GHFJNZBRUIYHBI-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-117957
N#Cc1c(NC(=O)C(N2CCCN(CC2)C(=O)C2CC2)C)sc2c1CCC2	EMOLS-id_101027041	386.511	WTANDEQDSZVUIH-UHFFFAOYSA-N	00100010100000000101000010000000000000000000000000000000	25-01-117958
O=C(N1CCC(CC1)Oc1ccncc1C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007356	386.511	GNKRDQROHNZPGN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-117959
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NC1CC1)C#N	PC-id_55916765	386.511	YKNREIQPQYDEDN-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-117960
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)CC(C)(C)C	PC-id_44053380	386.511	GLBKVTKHIXDLSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117961
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)C(CC)CC	PC-id_44053381	386.511	BHUYRGCNRXHMSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117962
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)CCCC	PC-id_44053800	386.511	ZUMMPTJJTJYHGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117963
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)C(C)(C)C	PC-id_44053801	386.511	YIFULHHMAXIAPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117964
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)CC(C)C	PC-id_44053802	386.511	DZFZQQVQAMOSOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117965
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)C(CC)c1ccccc1	PC-id_44052919	386.511	UPNUSDQOLUMTGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117966
S1Cc2c(n(nc2C1)CC(=O)NCCC)NC(=O)CCCc1ccccc1	PC-id_44052921	386.511	HSBKAZJHTKUAMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117967
O=C(N1CCN(CC1)c1nc(C)cc(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005787	386.514	CNYIUQZBYWJDDN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-117968
c1(NC(=O)CS(=O)Cc2ccc(C(C)C)cc2)sc2c(CCC2)c1C#N	EMOLS-id_320675948,MCULE-4583304726	386.531	KZAXOOGCFHZZNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117969
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3c(s2)CCC3)cc1C	ZINC22_65614662,PC-id_95159730	386.531	ADVYSUHHOAYJML-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117970
Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3c(s2)CCC3)cc1C	ZINC22_65614667,PC-id_95159731	386.531	ADVYSUHHOAYJML-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117971
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH2+][C@@H](c1ccccc1)C(C)C	GD-id_ZINC15057045	386.531	RGPCDWXLUZQJCO-SCLBCKFNSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117972
O=C(C1CSCN1C(=O)c1sc2c(c1)CCC2)Nc1ccc(c(c1)C)C	EMOLS-id_35766027,PC-id_53552090,MCULE-6093383238	386.531	ADVYSUHHOAYJML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117973
O(CC[NH+]1CCCC1)c1c(OC)cc(C[NH+](Cc2n[nH]c3c2CCC3)C)cc1	PC-id_52388245	386.531	KCYPWWVEIQYWFI-UHFFFAOYSA-P	00000010100000110001000010000000000000000000000000000000	25-01-117974
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC(C)C)C(=O)Nc1cc(ccc1)C	PC-id_7280794	386.531	MZEGVLDNQBZAAI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117975
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(C(C)C)cc1)C)C(=O)N	PC-id_9028881	386.531	ACAGGCHVASRHAU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-117976
CC1CCC(CC1)NS(=O)(=O)CC(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99823093	386.533	LGQOPKZBRJXDLO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117977
CCCS(=O)(=O)N1CCCCC1C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_99823057	386.533	CHMUCSYTMZZOIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117978
O=C(C1CCN(CC1)S(=O)(=O)C)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030667	386.533	NNVYCNNAPXJFPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117979
O=C(N(C1CCN(CC1)S(=O)(=O)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003840	386.533	GTVVXZFRCDAHQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117980
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_102001899	386.533	QYWOZBRPPMTUBR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-117981
c1(NC(=O)CSc2snc(SC)n2)sc2c(CCC2)c1C(=O)N	EMOLS-id_16624281,CoCoCo_1093484,MCULE-3147149449,SPECS-id_AN-153/I189133,ZINC22_6467662,PC-id_4450733	386.536	BHJCSPLGYQVFLS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117982
CSc1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)s1	MCULE-2765906121,CoCoCo_3060009,ZINC22_5872117,PC-id_7820427,EMOLS-id_25622419	386.536	SAFYWBZQYSXUMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-117983
OCCN(c1ccc(cc1)CCC(=O)c1sc(c2c1C[C@H](C2)N(C)C)C)C	PC-id_143295743	386.551	JCTQPPVSVNJDSC-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-117984
s1c2c(CCC2)c(c1NC(=O)CSC(=S)N(CC)CC)C(=O)OC	PC-id_27159586	386.552	FNECWOFDZWOLJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-117985
CC(C)(C)c1ccc(OCC2CCN(Cc3nc4CCCc4s3)CC2)nn1	ZINC22_1775965794,EMOLS-id_313806996,MCULE-4303532809	386.554	HYCCELNNQKQIHL-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-117986
N#Cc1c(NC(=O)CCN2CCC3N(C(C2)CC3)C(C)C)sc2c1CCC2	EMOLS-id_99857183	386.554	XYOQTYOYKGCZTC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-117987
N#Cc1c(NC(=O)CCN2CCC(CC2)N2CCCCC2)sc2c1CCC2	EMOLS-id_97820548,PC-id_99387473	386.554	XHZAYGLTMMDIEC-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-117988
N#Cc1c(NC(=O)C(N2CCC3N(C(C2)CC3)C(C)C)C)sc2c1CCC2	EMOLS-id_99852413	386.554	FZQLENXEYLDFRH-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-117989
N#Cc1c(NC(=O)C(N2CCC(CC2)N2CCCCC2)C)sc2c1CCC2	EMOLS-id_99076773	386.554	NSWDLWZWKNQRFZ-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-117990
N#Cc1c(NC(=O)C(N2CCN(CC2)C2CCCCC2)C)sc2c1CCC2	EMOLS-id_100512350	386.554	BJEIYEUCQHGZHB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-117991
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCCC1)c1cccs1	PC-id_111637106	386.557	CIUNUSQTGRDSRK-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-117992
CCc1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324844780	386.651	ODHRIANUZSKCDT-WTKPLQERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117994
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)CC	MCULE-7845953315	386.651	ODHRIANUZSKCDT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-117995
CC1CCc2c1c(CCl)nn2Cc1ccccc1I	EMOLS-id_331023887,MCULE-2338504205	386.658	XREGPCYZQGOSBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117996
CC1CCc2c1c(CCl)nn2Cc1cccc(I)c1	MCULE-9249281119,EMOLS-id_331023631	386.658	OCMWIOFHQPEYFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117997
CC1CCc2c1c(CCl)nn2Cc1ccc(I)cc1	MCULE-2623781242,EMOLS-id_331023375	386.658	IGKKLUZDRKPRMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117998
CC1CCc2c1c(I)nn2Cc1ccc(C)cc1Cl	EMOLS-id_330979835,MCULE-4612726661	386.658	PTCVAMYOHNNJAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-117999
CC1CCc2c1c(I)nn2Cc1c(C)cccc1Cl	EMOLS-id_330980091,MCULE-9011787770	386.658	CYVCEHANCBVWIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118000
CC1CCc2c1c(I)nn2Cc1cccc(C)c1Cl	EMOLS-id_330980347,MCULE-7298757260	386.658	IQHKTTFJESEJDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118001
CC1CCc2c1c(I)nn2Cc1cc(C)ccc1Cl	EMOLS-id_330980603,MCULE-4604692850	386.658	TZKAYGVOAVHAFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118002
CC1CCc2c1c(I)nn2Cc1cc(C)cc(Cl)c1	EMOLS-id_330978812,MCULE-3763976517	386.658	ZXXJAWCZDYNOPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118003
CC1CCc2c1c(I)nn2Cc1ccc(C)c(Cl)c1	MCULE-4083527880,EMOLS-id_330978300	386.658	IPNABNPAZOVHHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118004
CC1CCc2c1c(I)nn2Cc1cccc(Cl)c1C	MCULE-9663387007,EMOLS-id_330978556	386.658	WSGYMQIASPLLQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118005
CC1CCc2c1c(I)nn2Cc1ccc(Cl)cc1C	MCULE-2261798984,EMOLS-id_330981116	386.658	WMAFDWHFZFUSCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118006
CC1CCc2c1c(I)nn2Cc1ccc(Cl)c(C)c1	EMOLS-id_330981372,MCULE-8603935645	386.658	PUCSHWOOCXQRFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118007
CC1CCc2c1c(I)nn2Cc1cc(Cl)ccc1C	MCULE-3152067162,EMOLS-id_330979068	386.658	CIRZDHZHYCJUGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118008
CC1CCc2nn(Cc3ccccc3I)c(CCl)c12	MCULE-1206923445,EMOLS-id_331007929	386.658	YOJCXLIQVJGRIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118009
CC1CCc2nn(Cc3ccc(C)cc3Cl)c(I)c12	EMOLS-id_330963895,MCULE-4244882758	386.658	KWSAGJSVENONHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118010
CC1CCc2nn(Cc3cccc(C)c3Cl)c(I)c12	EMOLS-id_330964407,MCULE-4268000245	386.658	HCFGMEIXCJZTLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118011
CC1CCc2nn(Cc3cc(C)ccc3Cl)c(I)c12	EMOLS-id_330964663,MCULE-3103347101	386.658	LMHHMNGCVZGDJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118012
CC1CCc2nn(Cc3c(C)cccc3Cl)c(I)c12	MCULE-5389188776,EMOLS-id_330964151	386.658	LIGJXJOQGFYKQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118013
CC1CCc2nn(Cc3ccc(C)c(Cl)c3)c(I)c12	EMOLS-id_330962360,MCULE-9345151731	386.658	NQJBXVYOCUASFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118014
CC1CCc2nn(Cc3cc(C)cc(Cl)c3)c(I)c12	EMOLS-id_330962872,MCULE-4878166376	386.658	ZDZQJFOIRKPHKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118015
CC1CCc2nn(Cc3cccc(Cl)c3C)c(I)c12	MCULE-4052539426,EMOLS-id_330962616	386.658	ANIITUOWXZGNSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118016
CC1CCc2nn(Cc3cccc(I)c3)c(CCl)c12	MCULE-4237867121,EMOLS-id_331007673	386.658	VNXIZRRHPJVYLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118017
CC1CCc2nn(Cc3ccc(Cl)cc3C)c(I)c12	MCULE-7589780103,EMOLS-id_330961081	386.658	USWCFRKXMUJMEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118018
CC1CCc2nn(Cc3ccc(Cl)c(C)c3)c(I)c12	MCULE-4984897660,EMOLS-id_330961337	386.658	YZHPDZNQTSQDAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118019
CC1CCc2nn(Cc3ccc(I)cc3)c(CCl)c12	MCULE-4979115237,EMOLS-id_331007417	386.658	RRVSAYCRXWXEHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118020
CC1CCc2nn(Cc3cc(Cl)ccc3C)c(I)c12	EMOLS-id_330963128,MCULE-2689969874	386.658	ZZSMNYOEBNDWDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118021
Cc1nn2c(n1)C(=Nc1cc(c(c(c1Cl)Cl)O)Cl)C(=N2)C(C)(C)C	PC-id_136070301	386.664	FJGYQSJKPOHHFE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-118022
NC(=O)c1c(NC(=S)NC(=O)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_6261971,PC-id_4504208	386.705	HIPMFRIYUBXKRL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-118023
Brc1cc(C(NC2CCc3sc(Cl)cc23)C)ccc1OC	PC-id_81233754	386.734	ZGYILIMKXPZOFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118024
Brc1c(OC)c(C(NC)c2sc3c(CCC3)c2)cc(Cl)c1	PC-id_43480264	386.734	PNUCOJFCBXPRSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118025
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2Cl)C(F)(F)F)n1	MCULE-6853458152,EMOLS-id_330997246	386.796	DZSONBVOPWBSQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118026
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(Cl)c2)C(F)(F)F)n1	MCULE-4948346045,EMOLS-id_330995711	386.796	SERXFXWCQWOYTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118027
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1Cl)C(F)(F)F	EMOLS-id_330977978,MCULE-8144489385	386.796	UBDKJWLWGSNIFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118028
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(Cl)c1)C(F)(F)F	MCULE-8612619593,EMOLS-id_330980538	386.796	LZKBMKBCBJZEKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118029
O=C(c1c[nH]c(=O)c(c1)Cl)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109521	386.832	PBGMVMOVNSWNHR-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-118030
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)Cl	BAS-00486928,ZINC22_3100276,PC-id_2853984,CoCoCo_81793,ChEMBL-DNDi_CHEMBL2169-0046,EMOLS-id_1231053,MCULE-3063296657	386.852	BPEWVPKKBHDHKJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-118031
c1(NC(=O)c2ccc(c3cccc(Cl)c3)o2)sc2c(CCC2)c1C(=O)N	TIMTEC144457,SPECS-id_AP-970/41728638,ZINC22_6862040,PC-id_4503993,SPECS-id_AN-153/I293181,MCULE-2563702594,CoCoCo_6449730,EMOLS-id_4064691	386.852	FGUQTDZEFDWPTP-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-118032
c1(NC(=O)C(=Cc2ccc(cc2)Cl)C#N)sc2c(CCC2)c1C(=O)OC	MCULE-4254084435,PC-id_4645236	386.852	DMUQNBACSUQNPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118033
Clc1ccc(/C=C(/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C#N)cc1	PC-id_1672625	386.852	DMUQNBACSUQNPU-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118034
Clc1ccc(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_78557610	386.852	FPEBOKDHSHKXPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118035
Clc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7867927	386.852	FPEBOKDHSHKXPL-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118036
Clc1cc(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_78735565	386.852	HVBRRAVWTDZHLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118037
Clc1cc(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_8603827	386.852	HVBRRAVWTDZHLL-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118038
Clc1c(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_78594307	386.852	WWDFHGBKTPHPIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118039
Clc1c(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_8022275	386.852	WWDFHGBKTPHPIY-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118040
NC(=O)c1c(NC(=O)c2ccc(c3ccc(Cl)cc3)o2)sc2c1CCC2	EMOLS-id_3439969,CoCoCo_3813030,PC-id_4503991,MCULE-3813340293,ZINC22_6652836	386.852	WSNUOQRRKYVVSB-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-118041
c
(=N/C(=O)Cn2c(=O)ccc(c3ccccc3Cl)n2)/sc2c(CCC2)[nH]1	STOCK7S-19272,PC-id_53371170,MCULE-2070148500,EMOLS-id_36508826,EMOLS-id_46561954,ZINC22_71282514	386.855	UAHBVRPBCCCRTJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118042
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3)Cl)n2)/sc2c(CCC2)[nH]1	ZINC22_61720657,EMOLS-id_35788597,STOCK7S-15180,EMOLS-id_46561846,MCULE-1838934586,PC-id_52901262	386.855	LAFOIQSLMCGERN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118043
Clc1ccc(n2nc(C(=O)Nc3sc4CCCc4n3)c(=O)cc2C)cc1	PC-id_26723433	386.855	HUKKUOZAEWZSJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118044
S(=O)(=O)(c1ccc(nc1)Cl)Nc1sc2c(CCC2)c1C(=O)OCC	MCULE-9863370415,PC-id_4729836	386.874	QJGMDMCEVTYFKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-118045
O=C(C1CCCN1S(=O)(=O)c1ccc(s1)Cl)N1CCn2c1ccn2	MCULE-5880349846,EMOLS-id_177199924	386.877	NDQSLENBUCJWTC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118046
O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCn2nccc12	ZINC22_585081562	386.877	NDQSLENBUCJWTC-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-118047
O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCn2nccc12	ZINC22_585081563	386.877	NDQSLENBUCJWTC-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118048
c1(NC(=O)CC(c2ccc(cc2)Cl)n2cccc2)n(C)nc2CSCc12	MCULE-8351109625,STOCK7S-62143,EMOLS-id_104690801	386.898	MDRCEEZCENVNQQ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-118049
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1cccc(c1)Cl	SCHEMBL15002376,PC-id_89608280	386.898	UXJARDBMJZXIJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118050
Cn1nc2c(c1NC(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1)CSC2	ZINC22_524734776	386.898	MDRCEEZCENVNQQ-KRWDZBQOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-118051
Cn1nc2c(c1NC(=O)C[C@H](c1ccc(Cl)cc1)n1cccc1)CSC2	ZINC22_524734777	386.898	MDRCEEZCENVNQQ-QGZVFWFLSA-N	00000010110000110001000010000000000000000000000000000000	25-01-118052
N#Cc1c(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)sc2c1CCC2	ZINC22_97740566,PC-id_75511722,MCULE-1735076250,EMOLS-id_49328454	386.898	MZROKHMDTYEZIW-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-118053
N=C1SC(C)C(=NN1C(=N)c1n[nH]c2c1CCC2)c1ccc(c(c1)Cl)C	PC-id_145124496	386.902	LXYKCRJJDRAIKN-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-118054
c1(CN(C2CCCC2)C(=O)NCc2ccc(Cl)cc2)c2CCCc2n(C)n1	EMOLS-id_50145366,MCULE-8446027920,PC-id_86266600	386.918	MAUVGLARSBIRGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118055
CCC1(CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)c1ccc(cc1)Cl	EMOLS-id_101421726	386.918	FSDWUAYBXWMBRM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118056
CC(C)n1nc(CN2CCCCC2)c2c1CN(C(=O)c1cccc(Cl)c1)C2	ZINC22_2055718103,EMOLS-id_313735125	386.918	MRFMPBXNDKTTKA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118057
Clc1cc(C(=O)NC2CCC(CC2)Cn2nc3c(c2C)CCC3)c(nc1)C	PC-id_67363841	386.918	MZFJTGCQAXWAHK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-118058
Clc1cc(C(=O)NC2CCC(CC2)Cn2nc(c3c2CCC3)C)c(nc1)C	PC-id_53357273	386.918	GZJZJHZZIXBJPN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-118059
Clc1cnc(c(c1)C(=O)N[C@@H]1CC[C@H](CC1)Cn1nc2c(c1C)CCC2)C	SCHEMBL2323253	386.918	MZFJTGCQAXWAHK-JCNLHEQBSA-N	00000010100010101001000010000000000000000000000000000000	25-01-118060
Clc1cnc(c(c1)C(=O)N[C@@H]1CC[C@H](CC1)Cn1nc(c2c1CCC2)C)C	SCHEMBL2320765	386.918	GZJZJHZZIXBJPN-JCNLHEQBSA-N	00000010100010101001000010000000000000000000000000000000	25-01-118061
CCN(c1ccc(cc1)NS(=O)(=O)c1c(Cl)nc2n1CCS2)CC	PC-id_58230831,SCHEMBL1590836	386.92	HDPWFJDKWPJOQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118062
Clc1nc2SCCn2c1S(=O)(=O)Nc1c(N)c(c(CC)cc1)CC	PC-id_44544802	386.92	HLRLAJBTZHXSQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118063
CCOC1CC(C1NC1CCc2c1cc(s2)Cl)NC(=O)OC(C)(C)C	PC-id_113937210	386.937	LTZMOOXRMSPROI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-118064
O=C(c1cc(Br)c(O)c(Br)c1)N1CCn2ccnc12	ZINC22_1642209106	387.027	XBJQOCTZCXWTMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118065
CC1=C(SC(=C1C(C)C)C(=O)N[C@H]2CCC3=C2C=C(S3)C(F)(F)F)C	PC-id_155135522	387.094	GXYDUVXKXCQKHP-LBPRGKRZSA-N	00000010100100000000000010000000000000000000000000000000	25-01-118066
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CN=CN4	PC-id_164872284	387.1	WICZNRGZOKNVIR-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118067
CC1=C(NN=C1)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4F	PC-id_164872086	387.117	JGVYDQGTQJFJID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118068
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3	PC-id_164872132	387.125	YZGPQWIRFWKADF-XOVDAKGOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118069
Ic1ccc(cc1)OCC1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_70795677,SCHEMBL12901278	387.13	DCLVZBPFQOROBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118070
Brc1c(C(N)c2sc3c(CCC3)c2)cc(Br)cc1	PC-id_43384392	387.133	NFMMXVGKPQWPCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118071
C1Cc2c(C1)sc(c2C(=O)O)NC(=O)C(F)(F)I	PC-id_135363008,SCHEMBL20541751	387.142	PHQGOMHNNVTLTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-118072
CC(=C(C=C)SN1C=C2CN(CC2=N1)C(=O)C(CO)C3=CC=CC=C3F)C	PC-id_164872085	387.142	XCQGZNNESKBJGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118073
C1CC2=C(C1)NN=C2C(=O)N3CCOCC3CCNC(=O)C4=C(C=NC=C4)F	EMOLS-id_324142139,PC-id_154570632	387.171	KVJAYWWXRVJBOI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-118074
COC(C1=CN/C(=CC(N)N2COC3=C2NC(=C3)C(=O)N4CCCC4)/C=C1)O	PC-id_154993971	387.191	FDHIZKHMHSYKMO-JYRVWZFOSA-N	00000010100011001001000010000000000000000000000000000000	25-01-118075
COC(=O)C1=C2CCCC2=C(N1)C(=O)CC(C3=CC(=C(C(=C3)N)N)N)(N)OC	PC-id_163709481	387.191	KHXWIXNHDBEFJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118076
CC1CCc2c1c(C=O)nn2Cc1ccc(c(Br)c1)C(F)(F)F	EMOLS-id_331005173,MCULE-1292164696	387.194	QESNACAIJJOLGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118077
CC1CCc2c1c(C=O)nn2Cc1ccc(cc1Br)C(F)(F)F	MCULE-2808007814,EMOLS-id_331002613	387.194	UOBATLKQRUIHPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118078
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(C=O)c12	EMOLS-id_330988976,MCULE-7879656713	387.194	PULYRKYORVPAPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118079
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(C=O)c12	MCULE-5768504960,EMOLS-id_330986416	387.194	DKGAGANCXCKQFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118080
CC1=NN=C2N1CC(C2)CNC(=O)C3(CCN(CC3)C(=O)C4=NC=CN4)OC	EMOLS-id_324177428,PC-id_154565683,MCULE-6506412581	387.202	APJLDUQIILWQKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118081
Ic1c(NC(=O)c2sc3CCCc3c2)ccc(F)c1	PC-id_79766888	387.211	YYCLNYBVNKSOAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118082
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1I)F	PC-id_113340916	387.211	UVGYNOXHVQHGQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118083
O=C(NCc1nnc2n1CCC2)c1cc(c2ccc(Br)cc2)n[nH]1	ZINC22_30030867	387.234	RLDGHIQXAFHELW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118084
O=C(NCc1nnc2n1CCC2)c1ccc(n2cc(Br)cn2)cc1	MCULE-2992423359,ZINC22_40086617,PC-id_45881826,EMOLS-id_30029471,CoCoCo_4844396	387.234	IKQXEQCSXUZBLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118085
CC1CCc2c1c(CBr)nn2Cc1cccc(c1C)C(F)(F)F	EMOLS-id_331031559,MCULE-9441522684	387.237	BUSJVOAYDSFRPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118086
CC1CCc2c1c(CBr)nn2Cc1cc(ccc1C)C(F)(F)F	MCULE-1241609646,EMOLS-id_331030791	387.237	RVXWUKYHHDTYEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118087
CC1CCc2c1c(CBr)nn2Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_331031303,MCULE-9819559905	387.237	TZPYYKHOVZENIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118088
CC1CCc2c1c(CBr)nn2Cc1ccc(C)c(c1)C(F)(F)F	MCULE-3306794288,EMOLS-id_331031047	387.237	OHNMLZWDKDXIQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118089
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(CBr)c12	EMOLS-id_331014577,MCULE-1505319227	387.237	VVXMMBAZSWRITI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118090
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(CBr)c12	MCULE-8693629888,EMOLS-id_331017904	387.237	APFSTCSYEVEOKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118091
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(CBr)c12	MCULE-1055274547,EMOLS-id_331014321	387.237	XNWISPKGNVKLJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118092
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(CBr)c12	MCULE-9714685174,EMOLS-id_331018160	387.237	LKNVWPHHOMOTEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118093
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-7275168480,EMOLS-id_331020962	387.237	IDFTYQXYNDLIJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118094
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016116,MCULE-7954665286	387.237	INGXGPUJOUTJFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118095
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-1609114251,EMOLS-id_331017909	387.237	LYXVKCMFOWCIRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118096
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-4816612976,EMOLS-id_331014322	387.237	MGDFJTIYYSVIJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118097
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1Br	EMOLS-id_331020706,MCULE-2774015746	387.237	TXRANGPRVZOJPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118098
NC(=O)c1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)sc2c1CCC2	MCULE-1715070246,EMOLS-id_3321478,CoCoCo_3155017,ZINC22_3459826,PC-id_2580163	387.241	VVCIWAYJWHPVMC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118099
Cc1scc(n1)CC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_320132742,MCULE-3204335696	387.272	IFLQUXGJTOEYEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118100
CC1CC(c2n1ncn2)Nc1ccc(cc1)CCn1ncc(c1)Br	EMOLS-id_319513404	387.277	VNGBZABWCKPUOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118101
CN1Cc2c(C1)n(nc2S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F	SCHEMBL19453918	387.279	ISNWWQBHPMMSPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118102
CN1CCn2c1c(c(n2)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F	SCHEMBL19454037	387.279	XTAVURLUWMGDPW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118103
Clc1c(c2oc(C=Nc3sc4CCCc4c3C#N)cc2)cccc1Cl	PC-id_50885965	387.282	ZVGQFWNTVCMYKB-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-118104
Brc1cc(N)c(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1	PC-id_61207954	387.315	HYCWEEJHRCNNSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118105
Brc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)ccc1N	PC-id_64341452	387.315	XAYBRCUBYPKTQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118106
Brc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)c(N)cc1	PC-id_61208739	387.315	GRXOSGWOGPNAFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118107
Brc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)ccc(N)c1	PC-id_61207576	387.315	AGDYTCSOSIXRIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118108
Brc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)cc(N)cc1	PC-id_65207065	387.315	VYMXMYXRYFIMGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118109
CCOC(=O)C1CCc2c1nc(s2)NCc1ccc(s1)Br	PC-id_104288966	387.315	HODVXIDGIYZLHH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118110
CCOC(=O)C1CCc2c1nc(s2)NCc1scc(c1)Br	PC-id_104288974	387.315	REUKCZFWQBLRLU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118111
CCOC(=O)C1CCc2c1nc(s2)NCc1sccc1Br	PC-id_104289100	387.315	SBIVFYZRBPIJER-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118112
CN(Cc1nn2c(c1Br)CCC2)CCN(C(=O)OC(C)(C)C)C	PC-id_139451476,SCHEMBL21315322	387.315	RUZCGPDJDMEUSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118113
COc1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc(OC)c1OC	EMOLS-id_324909063	387.334	FPXDABZJBDELNL-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-118114
n12c(=O)c(=Cc3cc(OC)c(c(OC)c3)OC)sc1nc(C(F)(F)F)n2	MCULE-4300107877	387.334	FPXDABZJBDELNL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118115
Brc1ccc(s1)C[N@H+](CC(=O)/N=c/1[nH]c2c(s1)CCC2)C	GD-id_ZINC51682489	387.338	APFWTFORRVYSPK-UHFFFAOYSA-O	00000010100100000001000010000000000000000000000000000000	25-01-118116
c12nc(nn1C(C(=O)N2)CC(=O)Nc1cc(cc(C(=O)OC)c1)C(=O)OC)C	STOCK6S-75092,MCULE-7763720304,PC-id_135649909,SPECS-id_AN-153/NB21579,EMOLS-id_24585597	387.347	VIGFKRKTPDCQFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118117
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn23)cc(C(=O)OC)c1	PC-id_135950792,ZINC22_20745981	387.347	VIGFKRKTPDCQFM-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118118
COC(=O)c1cc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn23)cc(C(=O)OC)c1	ZINC22_20745982,PC-id_135950793	387.347	VIGFKRKTPDCQFM-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118119
COCCNC(c1sc2c(n1)CCC2)c1sc(c(c1)Br)C	PC-id_102843096	387.358	ZTYZPQAQKWZWNQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118120
c1(NC(=O)COc2cc(ccc2N(=O)=O)C(=O)O)sc2c(CCC2)c1C#N	MCULE-7084050005,EMOLS-id_327725897	387.367	BZIXIJNBJGSPAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118121
c1(NC(=O)COc2ccc(cc2N(=O)=O)C(=O)O)sc2c(CCC2)c1C#N	MCULE-8523828790,EMOLS-id_327721549	387.367	VYTNSPQBUYMRCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118122
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)n(C)nc(C(F)(F)F)c1	CoCoCo_6927864,EMOLS-id_4065053,TIMTEC48706,MCULE-2371088787,ZINC22_657104,PC-id_1001433	387.377	AMQBXNIVVNMUIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118123
O=C(CCc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1cnc2n1CCC2	PC-id_99800429,EMOLS-id_50574655,MCULE-3323894767,ZINC22_170617215	387.377	KHBKHBYHBOAVHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118124
FC(F)(F)c1ccccc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324834294	387.378	WQZRQPWFOZYVHL-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118125
FC(F)(F)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324833782	387.378	JTPNTAPGUPRCAF-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118126
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)Cc1ccccc1	MCULE-6634630089	387.378	WQZRQPWFOZYVHL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118127
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)Cc1ccccc1	MCULE-9154279660	387.378	JTPNTAPGUPRCAF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118128
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)c1ccccc1)C(=O)O	PC-id_89437269	387.39	SMPOZJKWBXSPCW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118129
COc1ccc(cc1)CN1CCN(C1=O)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479445,SCHEMBL5535824	387.39	XJHRVJBOWCWTLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118130
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CCNCC2)cc1)C	PC-id_68653556,SCHEMBL3466162	387.39	BEDZQTJALLGKGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118131
O1[C@@](CN2CCN(CC2)c2ccc(cc2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479681,SCHEMBL5536752	387.39	KEMHODIAPWABEW-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118132
O1C(CN2CCN(CC2)c2ccc(cc2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5536757,PC-id_69479682	387.39	KEMHODIAPWABEW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118133
O1C(CN2CCN(CC2)C(=O)Oc2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5543178,PC-id_69481533	387.39	ZAPOCYYCNNVNCR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118134
CC1([C@@H]2CCCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)OCCO1	ZINC22_1353643124	387.397	OPPZDEKAAJNTBS-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-118135
CC1([C@H]2CCCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)OCCO1	ZINC22_1353643126	387.397	OPPZDEKAAJNTBS-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-118136
N#Cc1c(NC(=O)C2CC(=O)N(C2)c2ccc(cc2F)F)sc2c1CCC2	EMOLS-id_44096294,MCULE-1211742733,PC-id_45880495	387.403	LXTOPANSJMZGQL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-118137
N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)sc2c1CCC2	CoCoCo_4835316,PC-id_51939122,ZINC22_40082087	387.403	LXTOPANSJMZGQL-JTQLQIEISA-N	00000010100000110000100010000000000000000000000000000000	25-01-118138
N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)sc2c1CCC2	PC-id_51939121,CoCoCo_4835315,ZINC22_40082085	387.403	LXTOPANSJMZGQL-SNVBAGLBSA-N	00000010100000110000100010000000000000000000000000000000	25-01-118139
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)C(F)(F)F)C)C#N	PC-id_8305747	387.403	XFGMLFSFTDYHND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118140
Cc1nc2c(s1)CN(C2)C(=O)Nc1c(ccc(n1)c1c(cc(cc1)F)F)N	PC-id_137495483,SCHEMBL20738437	387.406	MCOVSZOJAIYMSB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-118141
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C=O)C(=O)OC	PC-id_40632517	387.406	ZXJNMGQIVMMVLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118142
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)[C@H](CCC(=O)N)NC(=O)C	PC-id_56739058,EMOLS-id_36565207,ZINC22_67447016,MCULE-6204495853	387.408	OKDGZKFJXZFWIX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118143
Fc1ccc(Cn2ncc3c2CN(C3)C(=O)C(NC(=O)C)CCC(=O)N)cc1	PC-id_76398081	387.408	OKDGZKFJXZFWIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118144
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCOCC2)(C)C)cc1	PC-id_10249601	387.408	ATDAMEKHQSTZCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118145
O=C(NCC[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccncc1F	ZINC22_1857709661	387.408	KVJAYWWXRVJBOI-GFCCVEGCSA-N	00000010100010101001000010000000000000000000000000000000	25-01-118146
O=C(NCC[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccncc1F	ZINC22_1857709662	387.408	KVJAYWWXRVJBOI-LBPRGKRZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-118147
c1(NC(=O)C(=O)NN=Cc2ccc(cc2)O)sc2c(CCC2)c1C(=O)OC	MCULE-9633733205	387.41	PODQGKSPCOJXEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118148
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(cc2)O)sc2c1CCC2	EMOLS-id_26339804,STOCK4S-38885,PC-id_135635886	387.41	PODQGKSPCOJXEX-DJKKODMXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118149
COC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C/c1ccccc1O	PC-id_135833145	387.41	QWSUPLKHVDKTGJ-DJKKODMXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118150
COC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=Cc1ccc(cc1)O	PC-id_136717927	387.41	PODQGKSPCOJXEX-OCKHKDLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118151
n12nc(nc1sc(=Cc1ccc(cc1OC(=O)C)OC(=O)C)c2=O)CCC	MCULE-5159545993	387.41	KOACOJAAKSDTRA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118152
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C=C/1C=CC(=O)C=C1)C(=O)OC	PC-id_5914513	387.41	UIVPBWSNBHQHJI-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-118153
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C=C
/C(=O)C=CC=C1)C(=O)OC	PC-id_19658494	387.41	SHDDPXNVLVEZMC-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-118154
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC=C1C(=O)C=CC=C1)C(=O)OC	PC-id_73632999	387.41	SHDDPXNVLVEZMC-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-118155
c1(NC(=O)COc2nonc2CC(=O)NCC=C)sc2CCCc2c1C#N	MCULE-9379948289,EMOLS-id_333684575	387.413	CWUJULAWYWBEDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118156
c1(NC(=O)COc2nonc2C(=O)N2CCCC2)sc2CCCc2c1C#N	MCULE-9893273902,EMOLS-id_333663177	387.413	PZRUIKGHKQVSNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118157
Cn1c2c(s/c/1=NC(=O)c1ccc(C(=N)N)cc1)C(=O)N(CCC(=O)O)C2	CHEMBL267528,PC-id_44265246	387.413	OHYSAAPBMBXXQQ-JZJYNLBNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118158
N#Cc1c2CCCn2c(c1NC(=O)C)C(=O)Nc1ccc(cc1)S(=O)(=O)N	PC-id_393851,CoCoCo_5763409,NSC696778	387.413	FKRVOXFFXMQRKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118159
OC(=O)CCN1Cc2c(C1=O)sc(=NC(=O)c1ccc(cc1)C(=N)N)n2C	BindingDB_PC-id_44265246	387.413	OHYSAAPBMBXXQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118160
CCNC(=NCc1nnc2n1CCC2)NCCc1scc(n1)C(F)(F)F	PC-id_111689908	387.426	QHLAVABPZBJHIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118161
c1(c2CCCc2[nH]n1)C(=O)N1CCO[C@H](CO)[C@H]1c1ccc(c(OC)c1)OC	MCULE-7248088986,ZINC22_1529192639,PC-id_134713398,EMOLS-id_316273927	387.43	ZLEQAMVCLUDZNJ-IEBWSBKVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118162
s1c2CCCc2cc1C(=O)NN=C(c1cc(OC)c(OCC(=O)[O-])cc1)C	PC-id_85015421	387.43	QXBZBVUKOYQEHV-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-118163
s1c2CCCc2cc1C(=O)N/N=C(c1cc(OC)c(OCC(=O)[O-])cc1)/C	PC-id_9462310	387.43	QXBZBVUKOYQEHV-JAIQZWGSSA-M	00000010100000110000000010000000000000000000000000000000	25-01-118164
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1ccc(OC)cc1	PC-id_6969209	387.43	LODBTPPQPALKGX-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-118165
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_27521289	387.43	UHBUUGVXUOFVMW-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-118166
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_40497089	387.43	HYKCPILXTVZOCP-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-118167
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27521290	387.43	HAEPMCWFHWAGSG-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-118168
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27521291	387.43	GGVBKOBIJGDXJB-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-118169
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)NCc1ccccc1	PC-id_27521292	387.43	JECJBUOJQMHFSO-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-118170
CC(=O)Nc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	EMOLS-id_31548302,PC-id_46861302,MCULE-8786150278	387.431	OSZMOGKXQXQKSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118171
CC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340454,ZINC22_51364503	387.431	OSZMOGKXQXQKSB-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118172
CC(=O)Nc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364504,PC-id_52340455	387.431	OSZMOGKXQXQKSB-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-118173
S1c2n(CC1)cc(n2)CNC(=O)C1=C(NC(=O)NC1c1c(F)cccc1)C	PC-id_56700471	387.431	CDPQKJJSFIVRFV-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-118174
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)CCc1c(C)noc1C	MCULE-6579653752,EMOLS-id_207863361	387.433	IVHLHFPPVVRGLI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118175
CCc1ocnc1C(=O)N[C@@H]1C[C@@H](C[C@H]1O)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_336467919,ZINC22_1940198257	387.433	ZFDJUQLTWXGLDY-PSOPSSQASA-N	00000010100000000001000010000000000000000000000000000000	25-01-118176
O=C(N1Cc2c(C1(C)C)n(nc2Nc1cccc(c1)[N+](=O)[O-])C)OC(C)(C)C	PC-id_121438557,SCHEMBL17872157	387.433	SFFJMEZZCVCXDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118177
O=C(N1CCC(CC1)c1ncc(o1)C(=O)N1CCn2c1ncc2)OC(C)(C)C	EMOLS-id_316482968	387.433	GBWYFJHBRRIULC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-118178
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)CCCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_53635235,PC-id_53635235	387.433	ACFRJYPCQVVKOZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118179
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccccc2)C1)NCc1ccccc1	PC-id_68441404,SCHEMBL2920827	387.434	ZOHRORZVFMXICE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118180
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2ccccc2)C1)NCc1ccccc1	PC-id_68441655,SCHEMBL2921604	387.434	ZOHRORZVFMXICE-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118181
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)/C=Cc1ccccc1	SCHEMBL2920822	387.434	ZOHRORZVFMXICE-QXMHVHEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118182
COC1(C(=O)NC[C@H]2Cc3nnc(C)n3C2)CCN(C(=O)c2ncc[nH]2)CC1	ZINC22_1857695237	387.436	APJLDUQIILWQKR-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118183
COC1(C(=O)NC[C@@H]2Cc3nnc(C)n3C2)CCN(C(=O)c2ncc[nH]2)CC1	ZINC22_1857695238	387.436	APJLDUQIILWQKR-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118184
c12CCCc1c(C(=O)OCC)c(NC(=O)c1cccc(OC(=O)C)c1C)s2	EMOLS-id_25507330,MCULE-9734592282,PC-id_46094931	387.449	VVQKNXZQZQMTMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118185
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)CC)C(=O)OC	PC-id_19225843,MCULE-5333698690	387.449	YQSAYXJZTHRCFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118186
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(c(C)c1)C)C(=O)OC	STOCK3S-46246,BAS-03753391,EMOLS-id_1439879,MCULE-9182085685,PC-id_2791641	387.449	SMJBSIWNJCLZNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118187
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccccc1)C(=O)OC	EMOLS-id_1408094,BAS-02945967,MCULE-5798515092,PC-id_3144392	387.449	UOOQOHWRPVXDNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118188
c1(NC(=O)C(c2ccccc2)OC(=O)C)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL6140468,Chemmine_21690,EMOLS-id_2995513,PC-id_2887803,MCULE-9008790190	387.449	TVCLRKIJXDHEIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118189
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)OC	MCULE-5342660621,PC-id_1178371	387.449	BTZISOGCGSHXSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118190
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	PC-id_1183653,MCULE-1371870658	387.449	SUUQJZFGGIVKCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118191
CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)C)c2ccccc2)sc2c1CCC2	PC-id_1189212,ZINC22_951630,CoCoCo_3762205	387.449	TVCLRKIJXDHEIQ-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118192
CCOC(=O)c1c(NC(=O)[C@H](OC(=O)C)c2ccccc2)sc2c1CCC2	ZINC22_3237479,CoCoCo_3762204,PC-id_2355252	387.449	TVCLRKIJXDHEIQ-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118193
COc1ccc(c(c1)OC)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_6303850	387.449	BTZISOGCGSHXSY-NTMALXAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118194
COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=C)c1cccc(c1)OC	PC-id_143287318	387.449	AOCVOOGUCPKPQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118195
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CC1)S(=O)(=O)C	SCHEMBL10811552,PC-id_20235088	387.449	OPFZRZGEJDBSSY-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-118196
COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1167092,CoCoCo_306276,ZINC22_921139	387.449	SMJBSIWNJCLZNH-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118197
COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_921137,PC-id_1167090,CoCoCo_306277	387.449	SMJBSIWNJCLZNH-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118198
COC(=O)c1c(NC(=O)/C=Cc2ccc(c(c2)OC)OC)sc2c1CCC2	CoCoCo_724108	387.449	SUUQJZFGGIVKCI-NTMALXAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118199
COC(=O)c1c(NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCC2	ZINC22_39338001,ChemDIV2798-1095,CHEMBL1483997,CoCoCo_724107,PC-id_1183654,SPECS-id_AT-225/NB59659,STOCK2S-60854,EMOLS-id_25893577,TIMTEC459947	387.449	SUUQJZFGGIVKCI-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118200
COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_269992,ZINC22_888898,PC-id_1144808	387.449	UOOQOHWRPVXDNR-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118201
COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_888900,CoCoCo_269991,PC-id_1144809	387.449	UOOQOHWRPVXDNR-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118202
COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2c1CCC2	ZINC22_936280,EMOLS-id_26648926,CoCoCo_6303849,PC-id_1178372	387.449	BTZISOGCGSHXSY-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118203
COC(=O)c1c(NC(=O)COC(=O)CCc2ccccc2)sc2c1CCC2	ZINC22_3253627,PC-id_2370458,CoCoCo_2906723,MCULE-4418203934,EMOLS-id_3039667	387.449	SXHMLTFNYOLUBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118204
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)OC(C)C	PC-id_7623594	387.449	ZWHTYDJTBDQLBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118205
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)OCCC	PC-id_7623635	387.449	YLOOAGXWUJTMPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118206
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(=O)OCC)c1ccccc1	PC-id_45637960	387.449	PBAFZMJCIYRLQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118207
s1c2c(CCC2)c(c1N=Cc1cc(OC)c(OC(=O)C)cc1)C(=O)OCC	PC-id_23934546	387.449	GBDUVUMQLJGKMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118208
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)CC)C(=O)OC	PC-id_24352822	387.449	WBVAZANRJOKCHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118209
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)C)C(=O)OCC	PC-id_7763713	387.449	WSFFVXBSNULJMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118210
s1c2c(CCC2)c(c1NC(=O)COc1cc(ccc1)C(=O)C)C(=O)OCC	PC-id_8172254	387.449	JNKJHTKWXRZWLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118211
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(ccc(c1)C)C)C(=O)OC	PC-id_16523653	387.449	UURPRKKIRKTHQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118212
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc(c1)C)C)C(=O)OC	PC-id_16523684	387.449	OIIMCLJYVSQVKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118213
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cc(cc1)C)C)C(=O)OC	PC-id_16525838	387.449	VSFSTRPBCCVYPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118214
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(c(cc1)C)C)C(=O)OC	PC-id_16527944	387.449	GJCWIORXCSPSMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118215
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c(ccc1)C)C)C(=O)OC	PC-id_45688429	387.449	RUCLWZUMCMIIEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118216
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(ccc1)C)C(=O)OCC	PC-id_7785941	387.449	MQMTVHMAMBDUKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118217
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_7819536	387.449	MRZXVQQGNWTVSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118218
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cccc1)C)C(=O)OCC	PC-id_7819545	387.449	VRGCRWVIEADTBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118219
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CC)cc1)C(=O)OC	PC-id_16525158	387.449	WBIBCUSNGNYAEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118220
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccccc1)C(=O)OCC	PC-id_24364148	387.449	PBAMNPMMVBMVGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118221
Cc1c(c(c2n1CS(=O)(=O)C2)COC(=O)NC(C)C)COC(=O)N(C)C	PC-id_137650774	387.451	VDBJIGLNOGNDIE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118222
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc3n(n2)CCO3)CC1	ZINC22_289845888	387.451	PALUVMBQEXQIHS-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118223
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc3n(n2)CCO3)CC1	ZINC22_289845893	387.451	PALUVMBQEXQIHS-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118224
CCN1CCN(CC1)c1ccc(cc1C(NC(=O)c1cc2n(n1)CCO2)C)F	EMOLS-id_316857299,MCULE-3656805867	387.451	PALUVMBQEXQIHS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118225
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(F)cc1)C)C#N	PC-id_9253529	387.451	SAVAYHIZMJWMJN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118226
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1cc(F)ccc1)C)C#N	PC-id_2658667	387.451	SBBXRVMVWQCUKY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118227
c12c(CCC1C(=O)OCC)sc(NC(=O)c1ccnc(OCC3CC3)c1)n2	MCULE-7893493884,EMOLS-id_70127391,PC-id_92085467	387.453	FCYCHXDLHHSHBN-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-118228
c1(NC(=O)COc2cn(c(cc2=O)C)CC(C)O)sc2CCCc2c1C#N	MCULE-1563368515,EMOLS-id_331632579	387.453	ZHZUXUISFAPHOT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-118229
c1(NC(=O)COc2cn(c(cc2=O)C)CCCO)sc2CCCc2c1C#N	MCULE-1647703069,EMOLS-id_331629508	387.453	JISFTQKFTGAIQB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-118230
c1(NC(=O)COc2cn(c(cc2=O)C)CCOC)sc2CCCc2c1C#N	MCULE-6776578236,EMOLS-id_331629250	387.453	BSZPAZNIHPKQGY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-118231
c1(NC(=O)NN=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	PC-id_19168811,MCULE-1049390275	387.453	QREWFLLPNUVPCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118232
c1(OCC)ncc(cn1)C=CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4147818052	387.453	RURODZKOTNGUSH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118233
CCNC(=O)COc1ccc(cc1)C(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_44065897,CoCoCo_4682414,PC-id_25584013,MCULE-8219323014	387.453	ULTQZVXGXFBRGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118234
CCOC(=O)c1c(NC(=O)/C=C/c2cnc(OCC)nc2)sc2CCCc12	EMOLS-id_328247439	387.453	RURODZKOTNGUSH-CMDGGOBGSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118235
CCOC(=O)c1c(NC(=O)CNC(=O)c2ccc(N)cc2)sc2CCCc12	EMOLS-id_328033773,MCULE-3794720294	387.453	KKWJKMUYCZPQDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118236
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ccnc(OCC4CC4)c3)nc12	ZINC22_239611740	387.453	FCYCHXDLHHSHBN-CYBMUJFWSA-N	00100010100000101001000010000000000000000000000000000000	25-01-118237
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccnc(OCC4CC4)c3)nc12	ZINC22_239611741	387.453	FCYCHXDLHHSHBN-ZDUSSCGKSA-N	00100010100000101001000010000000000000000000000000000000	25-01-118238
CN(C)c1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_8004033,ZINC22_6586820,MCULE-2671551704,CoCoCo_2923502,EMOLS-id_3506379	387.453	TXTGDZIZLRUNME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118239
COc1ccc(N2CC(CC2=O)C(=O)Nc2nc3CCCc3s2)c(OC)c1	MCULE-5184852414,EMOLS-id_323401111	387.453	JTFABLQPOHTHKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118240
COc1ccc(OC)c(c1)N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	EMOLS-id_323395473,MCULE-3862702510	387.453	JOQSNVXRMARMEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118241
O=C(C1CCCN(C1)C(=O)c1ccco1)NNC(=O)c1sc2c(c1)CCC2	PC-id_42938345,EMOLS-id_24032010,MCULE-5595224908	387.453	RGCKJPXGEYLBSB-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-118242
O=C(C1CCCN(C1)C(=O)c1ccoc1)NNC(=O)c1sc2c(c1)CCC2	MCULE-9706889139,PC-id_42949102,EMOLS-id_27397855	387.453	VXPOSLODHWNJOA-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-118243
O=C([C@H]1CCCN(C1)C(=O)c1ccco1)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4614285,PC-id_32623825	387.453	RGCKJPXGEYLBSB-ZDUSSCGKSA-N	00000010101010000000000010000000000000000000000000000000	25-01-118244
O=C([C@@H]1CCCN(C1)C(=O)c1ccco1)NNC(=O)c1sc2c(c1)CCC2	PC-id_32623823,CoCoCo_4614286	387.453	RGCKJPXGEYLBSB-CYBMUJFWSA-N	00000010101010000000000010000000000000000000000000000000	25-01-118245
O=C([C@@H]1CCCN(C1)C(=O)c1ccoc1)NNC(=O)c1sc2c(c1)CCC2	PC-id_37723044,CoCoCo_4731111	387.453	VXPOSLODHWNJOA-CYBMUJFWSA-N	00000010101010000000000010000000000000000000000000000000	25-01-118246
O=C([C@H]1CCCN(C1)C(=O)c1ccoc1)NNC(=O)c1sc2c(c1)CCC2	PC-id_37723050,CoCoCo_4731110	387.453	VXPOSLODHWNJOA-ZDUSSCGKSA-N	00000010101010000000000010000000000000000000000000000000	25-01-118247
O=CNc1ccc(cc1/C(=C/1CCc2c1[nH]c(c2C(=O)O)C)/C)S(=O)NC	PC-id_143004561	387.453	SMTWGJCKHOPNDV-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118248
s1c2CCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)c1occc1	PC-id_27684681	387.453	FYLJPZFXBNWXEM-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-118249
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OCC(=O)N(C)C)cccc1	PC-id_37350356	387.453	LVHXEEWRGKEXTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118250
s1c2CCCc2cc1C(=O)NNC(=O)CNC(=O)c1c(OCC)cccc1	PC-id_27684696	387.453	ZWEKLMAEYVVLKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118251
s1c2c(CCC2)c(c1NC(=O)c1ccc(N(C)C)cc1)C(=O)NC(=O)OC	PC-id_7521478	387.453	YZGGLWXDSRWXAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118252
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C(=O)N)C(=O)OCC	PC-id_52236568	387.453	BORGYQJOGCMIDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118253
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N(C)C)cc1)C(=O)N	PC-id_4038443	387.453	JNOIIIACSWAOKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118254
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCC=C	PC-id_16947997	387.453	PEWBWXJWESJJRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118255
s1c2c(nc1NC(=O)c1cc(OC)cc(OC)c1)C(CC2)C(=O)NC1CC1	PC-id_16948102	387.453	NHUCQICVNJHIGD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-118256
c1(ccccc1NC(=O)c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5962495290,EMOLS-id_327948778	387.454	XFMIOIGAIGSOCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118257
C=CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_45970110,ZINC22_27021563	387.454	VQGFXNZQWNNJLD-JFNIHZHXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118258
C=CCOc1ccccc1/C=c
/sc2nc(/C=C/c3ccccc3)nn2c1=O	ZINC22_16779406	387.454	VQGFXNZQWNNJLD-RUWPHTKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118259
C=CCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_16807418	387.454	NVAPIMGXYHETKQ-GRIAUZHRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118260
C=CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021621,EMOLS-id_45970134	387.454	NVAPIMGXYHETKQ-XIHFDNFTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118261
C=CCOc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_16735828,EMOLS-id_45966293	387.454	LXROZJNKUIDMAZ-NMYIEGGISA-N	00000000100000110001000010000000000000000000000000000000	25-01-118262
COc1ccccc1/C=C/C=c/1sc2n(c1=O)nc(n2)/C=C/c1ccccc1	EMOLS-id_206980399,STOCK4S-56518,ZINC22_5215310	387.454	BKQOIJIMFXJBDR-KMDNPURISA-N	00000000100000110001000010000000000000000000000000000000	25-01-118263
COCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1	PC-id_91959815	387.454	ARDRUUNALMWPMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118264
n12nc(nc1sc(=Cc1ccccc1OCC=C)c2=O)C=Cc1ccccc1	MCULE-1055923636	387.454	VQGFXNZQWNNJLD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118265
n12nc(nc1sc(=Cc1ccc(cc1)OCC=C)c2=O)C=Cc1ccccc1	MCULE-1227705858	387.454	NVAPIMGXYHETKQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118266
n12nc(nc1sc(=Cc1cccc(OCC=C)c1)c2=O)C=Cc1ccccc1	MCULE-8450687877	387.454	LXROZJNKUIDMAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118267
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)C=Cc1ccc(cc1)OC	MCULE-8554235795	387.454	ITBNCNBIMXROQS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118268
n12nc(nc1sc(=CC=Cc1ccccc1OC)c2=O)C=Cc1ccccc1	MCULE-8187197424	387.454	BKQOIJIMFXJBDR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118269
c12c(CCC1C(=O)OCC)sc(NC(=O)c1ncnc(N3CCCC3)c1)n2	EMOLS-id_53869755,MCULE-8675471547,PC-id_91816370	387.456	XUCZRJBPIHBGBT-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-118270
Cc1ncc(c2ccc(C)c(S(=O)(=O)NC[C@@H]3Cc4nnc(C)n4C3)c2)o1	ZINC22_1772810436	387.456	GOZVAGAUPGKKCC-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118271
Cc1ncc(c2ccc(C)c(S(=O)(=O)NC[C@H]3Cc4nnc(C)n4C3)c2)o1	ZINC22_1772810438	387.456	GOZVAGAUPGKKCC-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118272
Cc1ncc(o1)c1ccc(C)c(c1)S(=O)(=O)NCC1Cc2nnc(C)n2C1	EMOLS-id_317875636,MCULE-3891380068	387.456	GOZVAGAUPGKKCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118273
CCN(CC)CCOC(=O)c1ccc(N/C=c/2sc3ncnn3c2=O)cc1	ZINC22_618255202	387.456	RJTCAUYBXIRFCQ-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118274
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(nn1)N1CCCC1	PC-id_121027866	387.456	JRKOMJJRGRCCNW-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-118275
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cc(N4CCCC4)ncn3)nc12	PC-id_100670538,ZINC22_225537304	387.456	XUCZRJBPIHBGBT-LLVKDONJSA-N	00000010100000100001100010000000000000000000000000000000	25-01-118276
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cc(N4CCCC4)ncn3)nc12	ZINC22_225537336,PC-id_100670550	387.456	XUCZRJBPIHBGBT-NSHDSACASA-N	00000010100000100001100010000000000000000000000000000000	25-01-118277
CCOC(=O)n1c(NC(=S)Nc2ccc(cc2)NC(=O)C)nc2c1CCC2	SPECS-id_AT-225/JK10667,PC-id_51062081	387.456	WDRKJILKJKFPPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118278
O=C1Cc2c3N1CCCc3cc(c2)S(=O)(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_99737491	387.456	IIZPZIKTSVGZSL-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-118279
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1noc(c1)C)C)C#N	PC-id_55482164	387.456	TXQLMXVXNPAAAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118280
c1(NC(=O)CNC(=O)N2CCN(CC2)c2ncccn2)sc2c(CCC2)n1	MCULE-1431471631,EMOLS-id_46566325,ZINC22_72406307,PC-id_60178924,EMOLS-id_43042341,STOCK7S-30391	387.459	QBAGOPZAYRSIIW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-118281
CC(c1nn(c(c1)NS(=O)(=O)c1cnc2n1CCC2)c1ncccn1)(C)C	EMOLS-id_97704068	387.459	AVNPRWCSWGJJRE-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-118282
O=C(N1CC(C1)n1nnc(c1)CN1CCCC1=O)Cn1ncc2c1CSC2	PC-id_92118772	387.459	CEYYLJIMGMPWEU-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-118283
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CSc1nnnn1C	PC-id_92109282	387.459	KIZZVWMYZONOHE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-118284
C1(CCC1)(c1ccc(cc1)F)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328202230,MCULE-6354384850	387.468	QURHNZDOWQSWDJ-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-118285
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCN(CC1)C	ZINC22_55196050,EMOLS-id_6767535,MCULE-8892661649,PC-id_1253794	387.471	ONFHLCKGRLMTEV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118286
CN1CCCN(CC1)C(=O)c1sc2c(c1)N(CC2)C(=O)c1ccc(cc1)F	PC-id_97524495	387.471	GJTBXVKCDOUYGS-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-118287
CN(CCOc1ccc(F)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_24898557,CoCoCo_4468065,EMOLS-id_25650657,CoCoCo_4468064,PC-id_24589339,MCULE-4215080212	387.471	IAYAGLJNROHYFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118288
Fc1ccc(cc1)C(=O)N1CCc2c1cc(s2)C(=O)NCCN1CCCC1	PC-id_97442324	387.471	ZILBYJCAKZWUFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118289
Fc1ccc(cc1)C(=O)Nc1nc2c(s1)CCC2C(=O)N1CCCCCC1	PC-id_16947177,Chemmine_45417	387.471	WCQDODASJRJEJL-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-118290
Fc1ccc(cc1)C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)N1CCCCCC1	PC-id_40945384,CoCoCo_5124739	387.471	WCQDODASJRJEJL-HNNXBMFYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-118291
Fc1ccc(cc1)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)N1CCCCCC1	PC-id_40945385,CoCoCo_5124738	387.471	WCQDODASJRJEJL-OAHLLOKOSA-N	00000010100000110101000010000000000000000000000000000000	25-01-118292
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1cccc(F)c1	EMOLS-id_11826316,MCULE-6527192756,PC-id_9225275,ZINC22_36383614,CoCoCo_3873287	387.471	RQBMYLDDBGTARQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118293
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1ccc(F)cc1	PC-id_9405065,ZINC22_34895969,CoCoCo_3877315,MCULE-9274514903	387.471	AOQAJFYEIJATBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118294
O=C(Nc1ccc(cc1)F)NC1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_98290701	387.471	SJCDKXZJJIPSAZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-118295
s1c2CCCc2cc1C(=O)NN=C(c1cc(F)c(N2CCOCC2)cc1)C	PC-id_84965636	387.471	PBDWWPLZBGXIAI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118296
s1c2CCCc2cc1C(=O)N/N=C(c1cc(F)c(N2CCOCC2)cc1)/C	PC-id_9259119	387.471	PBDWWPLZBGXIAI-XKZIYDEJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118297
s1c2CCCc2c(c1NC(=O)CCN(Cc1cc(F)c(OC)cc1)C)C#N	PC-id_51303026	387.471	FFXQRFJLHZZCLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118298
s1c2CCCc2c(c1NC(=O)CCN(CCOc1c(F)cccc1)C)C#N	PC-id_24595042	387.471	XCUZSJNSTQQELI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118299
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)Cc1ccc(F)cc1)C(=O)N	PC-id_8905254	387.471	PTJRXFZFLVPEPL-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-118300
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)Cc1c(F)cccc1)C(=O)N	PC-id_8977946	387.471	GEWUBEMLBZCILP-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-118301
s1c2CCCc2c(c1NC(=O)CN(Cc1cc(F)c(OC)cc1)CC)C#N	PC-id_9349272	387.471	GAIAWKMDUPHHSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118302
s1c2CCC(C(=O)NC3CCCCC3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947208	387.471	VEWSQEWZEXGGCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118303
s1c2c(C(NC(=O)CN3CCN(CC3)Cc3c(F)cccc3)CC2=O)cc1	PC-id_11574594	387.471	FXFUWUTYHRWUMK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118304
s1c2c(nc1NC(=O)c1ccc(F)cc1)C(CC2)C(=O)N1CC(CCC1)C	PC-id_16947180	387.471	QDXXVZPOKDYBRN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118305
s1c2c(nc1NC(=O)c1ccc(F)cc1)C(CC2)C(=O)N1CCC(CC1)C	PC-id_16947181	387.471	HNWIDHMYDJVTOS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118306
s1cc2C(NC(=O)CN3CCN(CC3)Cc3c(F)cccc3)CC(=O)c2c1	PC-id_11509306	387.471	VTEIPBPFNXUPDH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118307
CN1CC[C@H](C(=O)N2CCC(C3CN(C(=O)c4coc5c4COC5)C3)CC2)C1	ZINC22_2325870510	387.473	AIAFNXZCQLOYRI-HNNXBMFYSA-N	00001010100010000000100010000000000000000000000000000000	25-01-118308
CN1CC[C@@H](C(=O)N2CCC(C3CN(C(=O)c4coc5c4COC5)C3)CC2)C1	ZINC22_2325870511	387.473	AIAFNXZCQLOYRI-OAHLLOKOSA-N	00001010100010000000100010000000000000000000000000000000	25-01-118309
CC(=O)Nc1ccc(C)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328218745,MCULE-5985640048	387.474	JYWKZMHIBFSIIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118310
CN(C)c1ccc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	MCULE-3133406424,EMOLS-id_31548406,PC-id_46861354	387.474	DNGOOOZTIXJDAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118311
CN(C)c1ccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340556,ZINC22_51364607	387.474	DNGOOOZTIXJDAX-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118312
CN(C)c1ccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364608,PC-id_52340557	387.474	DNGOOOZTIXJDAX-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118313
O=C(c1cnc2n1CCC2)N1CCC[C@@H]1C(c1ccccc1)(c1ccccc1)O	EMOLS-id_316561341	387.474	KYWSXJBAZNXKEV-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118314
O=C(N1CCC[C@@H]1C(c1ccccc1)(c1ccccc1)O)c1cn2c(n1)CCC2	EMOLS-id_319538303	387.474	WFAWANQENOCOPQ-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118315
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCCCCCCCC)c2=O	MCULE-1582660138	387.496	YGJHKFSHYOLZEQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118414
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NC(C)C)c3)C2)cc(n(CCOC)c1C)C	EMOLS-id_316326201,MCULE-3146446022	387.476	HEMPQYLJAHQOKB-HNNXBMFYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-118316
c1(NC(=S)NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C#N	ZINC22_2848498,MCULE-6831922885,EMOLS-id_1785862,CoCoCo_984258,PC-id_2202700	387.476	USTWFIZLYYDPCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118317
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)CC(=O)Nc1ccccc1	EMOLS-id_186570512,MCULE-2425089314	387.476	UBIBVTKYUKCCDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118318
Cc1cccc(OC[C@H](O)CN(C(=O)NCc2nnc3n2CCC3)C(C)C)c1	ZINC22_78951457,PC-id_96520061	387.476	NRRQLTQTJWPYTR-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118319
Cc1cccc(OC[C@@H](O)CN(C(=O)NCc2nnc3n2CCC3)C(C)C)c1	ZINC22_78951465,PC-id_96520062	387.476	NRRQLTQTJWPYTR-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118320
CCN1CCN(C(=O)C1=O)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110007	387.476	HPLZWWQEBOWWIG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118321
COc1ccc(c2nc(C(=O)Nc3nc4c(s3)CCC4)cs2)cc1OC	CoCoCo_4194327,PC-id_28028684,MCULE-6486947387,ZINC22_18949113,EMOLS-id_25639783	387.476	YTRWDONYKVEBTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118322
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)c(OC)c1	ZINC22_8072069,PC-id_9204592	387.476	DLWCAJPZIQWOPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118323
COc1cc(CN2CCN(Cc3nnc4n3CCC4)CC2)cc(OC)c1OC	ZINC22_2325744585	387.476	UJSISLUGOVGPJP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118324
COCCn1c(C)cc(c1C)C(=O)NC1Cc2n(C1)nc(c2)C(=O)NC(C)C	MCULE-1009993529	387.476	HEMPQYLJAHQOKB-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-118325
OC(CN(C(C)C)C(=O)NCc1n2CCCc2nn1)COc1cc(ccc1)C	MCULE-7960708120,PC-id_72114267,EMOLS-id_43396216	387.476	NRRQLTQTJWPYTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118326
O=C(NC(c1n2CCCc2nn1)C(C)C)NCCc1cc(OC)c(OC)cc1	PC-id_60273744	387.476	TZOVRTXBRCTOHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118327
s1c2CCCc2cc1C(=O)NNC(=O)Cc1nc(oc1C)c1sccc1	PC-id_32652367	387.476	LHHIGBQIIRORHD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118328
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OC)cc(OC)c1)C#N	PC-id_24130270	387.476	ZMBVVNFQQPCKPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118329
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)c1ncccn1	MCULE-7067809221,EMOLS-id_328337567	387.478	RMDIDRTVLSUZFB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118330
c1(NC(=O)COc2cccnc2NC(=S)NC)sc2c(CCC2)c1C#N	MCULE-6523360582,EMOLS-id_321808498	387.479	UHZUYNDQTKXGLC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-118331
CN(Cc1nnc2n1CCC2)C(=O)c1ccsc1NC(=O)c1cccs1	EMOLS-id_48347149,ZINC22_95958858,PC-id_75463772,MCULE-5933833197	387.479	VKHXJUNKXQZPPB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118332
COc1ccc(c2n[nH]c(=S)n2CC(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_25768768,PC-id_33040462,CoCoCo_4626365,EMOLS-id_75944541	387.479	NRLCYPGSRJVZAC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118333
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncccn1)C(=O)N	PC-id_8543168	387.479	CTZLIUQUVMJYSE-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-118334
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1nccnc1)C(=O)N	PC-id_35010989	387.479	UZJQHTHNIPONMX-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-118335
c1(CN2CCC(CC2)C)nnnn1CCCC(=O)NCc1nnc2CCCn12	ZINC22_95529386,EMOLS-id_48448708,MCULE-5115805204,PC-id_72933418	387.483	AJXCHASXLTWJFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118336
c1(c2CCCc2sc1NC(=O)c1cccc(OC(C)C)c1)C(=O)OC(C)C	MCULE-2660749278,ZINC22_2750482,ChEMBL-DNDi_CHEMBL6131924,TIMTEC260539,EMOLS-id_2389787,PC-id_2165924,CoCoCo_6790016	387.492	KGGMIQRIPOISSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118337
c1(C(C)C)c(ccc(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c1)OC	MCULE-8815268585,EMOLS-id_327896759	387.492	ZECYAXGLLCETNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118338
c1(NC(=O)c2cccc(c2)OCC(C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_327946825,MCULE-4452380523,PC-id_17140281	387.492	NAPHZTMBSYCWRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118339
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_4937053,MCULE-3873545684,EMOLS-id_327996486	387.492	VFKWHITWEFGDAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118340
c1(NC(=O)c2ccc(cc2)OCCC)sc2c(CCC2)c1C(=O)OCCC	CoCoCo_5823370,EMOLS-id_4065475,ZINC22_2751471,PC-id_4433554,TIMTEC508285,MCULE-7441642844	387.492	VQTHPWORHQHENL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118341
c1(NC(=O)c2cccc(OCCC)c2)sc2c(CCC2)c1C(=O)OCCC	ZINC22_2750565,CoCoCo_6790021,MCULE-9823782359,PC-id_4657012,TIMTEC237813,EMOLS-id_4065497	387.492	JHHNFOOCUIGEEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118342
c1(NC(=O)CCc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-1776562155,PC-id_19226015	387.492	MUPGQOMSAQSOBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118343
c1(NC(=O)CCCOc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)OC	CoCoCo_6137390,EMOLS-id_1877603,MCULE-3400091887,ZINC22_1914006,PC-id_1644566	387.492	CQVFSROUNKONDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118344
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)OC	MCULE-8112811318,PC-id_1685537	387.492	YYMZGKXBVWJKGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118345
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_834489,EMOLS-id_1865676,ZINC22_1773370,STOCK2S-97344,MCULE-4350711657,PC-id_1564855	387.492	CHESTSWDDBABAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118346
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2489828,MCULE-9768103289,ChEMBL-DNDi_CHEMBL7929608,ZINC22_1772504,SPECS-id_AF-399/40714517,CoCoCo_529465,PC-id_1564291	387.492	BFQSJNKOZYVRHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118347
c1(NC(=O)CCCOc2cccc(C)c2C)sc2c(CCC2)c1C(=O)OC	MCULE-2596381820,PC-id_1677570	387.492	LFRCISFAYCHQAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118348
c1(NC(=O)CCCOc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)OC	MCULE-8790333658,PC-id_1652520	387.492	DZMYRYSMDLBLHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118349
c1(NC(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_19173657,EMOLS-id_327934703,MCULE-9826080401	387.492	IVXMBAZEGYEGFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118350
c1(NC(=O)COc2ccccc2C(C)CC)sc2c(CCC2)c1C(=O)OC	PC-id_2950539,MCULE-7700484522,TIMTEC119063,SPECS-id_AT-084/J167771,SPECS-id_AN-153/I190993,SPECS-id_AN-329/41868746,EMOLS-id_2232587	387.492	DENOVYSWMHEDID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118351
c1(NC(=O)COc2ccccc2C(C)(C)C)sc2c(CCC2)c1C(=O)OC	TIMTEC376193,SPECS-id_AT-225/NB60153,MCULE-2662406678,ZINC22_622558,CoCoCo_1708536,EMOLS-id_604011,PC-id_978677,ChEMBL-DNDi_CHEMBL2798-1119	387.492	PFGXNLZTFOGNBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118352
c1(NC(=O)COc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	TIMTEC496105,CoCoCo_1708537,ZINC22_622550,ChEMBL-DNDi_CHEMBL2798-1120,SPECS-id_AT-225/NB60138,EMOLS-id_603981,PC-id_978671,MCULE-3729818285,SPECS-id_AF-399/13428286	387.492	VDCBFZIHLQWHDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118353
c1(NC(=O)COc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)OCC	BAS-00842868,TIMTEC86282,ZINC22_715546,EMOLS-id_1088776,SPECS-id_AN-153/I193564,PC-id_1042637,MCULE-2767226133,SPECS-id_AF-399/37112018,SPECS-id_AT-084/J169413,CoCoCo_139736	387.492	BTTKPDXPEYNEIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118354
c1(NC(=O)COc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_996452,MCULE-9914660710,EMOLS-id_2242031,SPECS-id_AT-084/J169885,ZINC22_2855571,PC-id_2208892,TIMTEC231916,SPECS-id_AN-153/I196825,SPECS-id_AN-329/42138525	387.492	JAQRXOCWVLTCFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118355
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)OCC	PC-id_1637643,MCULE-9420612500,EMOLS-id_327851203	387.492	DVFJNSRZVWHVSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118356
c1(NC(=O)COc2ccc(c(C)c2)C(C)C)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL6668866,MCULE-3531789631,CoCoCo_816478,ZINC22_1770629,PC-id_1562660,SPECS-id_AE-641/15339308,EMOLS-id_1863035	387.492	HSTXACMCYVXXBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118357
c1(NC(=O)COc2cc(C)ccc2C(C)C)sc2c(CCC2)c1C(=O)OC	SPECS-id_AT-225/NB59899,TIMTEC534271,MCULE-6669682239,PC-id_978519,SPECS-id_AF-399/13428276,ZINC22_622357,ChEMBL-DNDi_CHEMBL2798-1109,EMOLS-id_603515,CoCoCo_724095	387.492	WTUJCYZZHCEQPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118358
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_5868358,ZINC22_951207,MCULE-1833804297,EMOLS-id_1868489,PC-id_1188901	387.492	FRHYDGMLMSOKHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118359
c1(NC(=O)COc2cc(C)cc(C)c2C)sc2c(CCC2)c1C(=O)OCC	MCULE-6383007527,PC-id_1663903	387.492	MLRMNHAYAGKPPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118360
c1(NC(=O)COc2cccc(C(C)C)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-1987504601,PC-id_1657338	387.492	JXCLSLKTOWLPDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118361
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1C[C@H]1CCCO1	CoCoCo_2840780,PC-id_7291840,ZINC22_4581416	387.492	IJCFBAHRUXUTLU-MRXNPFEDSA-N	00000010110000000000000010000000000000000000000000000000	25-01-118362
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1C[C@@H]1CCCO1	PC-id_7291839,ZINC22_4581414,CoCoCo_2840781	387.492	IJCFBAHRUXUTLU-INIZCTEOSA-N	00000010110000000000000010000000000000000000000000000000	25-01-118363
C(C)(C)(c1ccc(cc1)OC)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328248404,MCULE-1732529210	387.492	BTUYFMUSCPHETP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118364
CCCCOc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2	MCULE-3532192632,PC-id_4426182,CoCoCo_1661593,EMOLS-id_6175780	387.492	RUMXJKHJZMTUAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118365
CC[C@@H](C)c1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_1015378,ZINC22_676875,CoCoCo_975411	387.492	DENOVYSWMHEDID-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118366
CC[C@H](C)c1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_1015379,CoCoCo_975410,ZINC22_676876	387.492	DENOVYSWMHEDID-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118367
CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC2	CoCoCo_5828236,PC-id_1747093,ZINC22_2089581	387.492	KHRDUFYTQHZUFG-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118368
CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC2	ZINC22_2089582,CoCoCo_5828237,PC-id_1747094	387.492	KHRDUFYTQHZUFG-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118369
CC(Oc1c(C)cccc1C(=O)NC1(Cc2c(C1)c(sc2C)C)C(=O)O)C	SCHEMBL3310842,PC-id_59314413	387.492	QFAHOVXWUGTKOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118370
COc1cccc(c1OC1CCN(CC1)C(=O)c1sc2c(c1)CCC2)OC	PC-id_87005928	387.492	JKHLEVAZJHMVOU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-118371
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)CC(C)C	MCULE-6963457165	387.496	BLEIZRUXIWWACV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118415
O=C(c1sc2c(c1)CCC2)OCC(=O)c1cc(n(c1C)CC1CCCO1)C	EMOLS-id_43413374,PC-id_3269536,MCULE-6077177571	387.492	IJCFBAHRUXUTLU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-118372
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC(CC)C)cc1)C(=O)OCC	PC-id_17141222	387.492	OALVVUXGESKIGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118373
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCCCC)cc1)C(=O)OC	PC-id_3518551	387.492	DIMFUAOPIMGCLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118374
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCC(C)C)cc1)C(=O)OC	PC-id_4948158	387.492	VKGLJGZGRVPRGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118375
s1c2c(CCC2)c(c1NC(=O)c1cc(OC(CC)C)ccc1)C(=O)OCC	PC-id_17149720	387.492	KKYQZCZTYWAXOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118376
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCCC)ccc1)C(=O)OCC	PC-id_4956510	387.492	BLCYRLOTDYKFED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118377
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCC(C)C)ccc1)C(=O)OC	PC-id_4981675	387.492	XQMZHMZNWGLWKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118378
s1c2c(CCC2)c(c1NC(=O)c1c(OCCCC)cccc1)C(=O)OCC	PC-id_4940935	387.492	AQRCUQMUVCBPOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118379
s1c2c(CCC2)c(c1NC(=O)c1c(OCC(C)C)cccc1)C(=O)OCC	PC-id_4945357	387.492	GFMYHTSWPRZWQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118380
s1c2c(CCC2)c(c1NC(=O)c1c(OCCC(C)C)cccc1)C(=O)OC	PC-id_4943434	387.492	CNNDCWQFZOYSES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118381
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1c(cccc1C)C)C)C(=O)OCC	PC-id_9297325	387.492	PVOCKFOBWQTLTJ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118382
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1c(cccc1C)C)C)C(=O)OCC	PC-id_9297331	387.492	PVOCKFOBWQTLTJ-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118383
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_9239212	387.492	CYSLPHNGOBBSFQ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118384
s1c2c(CCC2)c(c1NC(=O)C(Oc1cc(ccc1)C)CC)C(=O)OCC	PC-id_4928453	387.492	KFORQOOJZJKJIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118385
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(cccc1)C)CC)C(=O)OCC	PC-id_4931888	387.492	CSKUNJYXLGKRDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118386
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(ccc(c1)C)C)C)C(=O)OCC	PC-id_4944774	387.492	CWXJUFJNGFUJMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118387
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc(cc1)C)CC)C(=O)OCC	PC-id_4949973	387.492	GIZPSJCJLNFBTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118388
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(cccc1C)C)C)C(=O)OCC	PC-id_4958471	387.492	PVOCKFOBWQTLTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118389
s1c2c(CCC2)c(c1NC(=O)COc1c(c(ccc1)C)C)C(=O)OC(C)C	PC-id_17368727	387.492	IGXGSQMWRKXRIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118390
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc(CC)cc1)C)C(=O)OCC	PC-id_4953311	387.492	YZYBCZYJRCWOPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118391
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_4953630	387.492	CYSLPHNGOBBSFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118392
s1c(c2CC(Cc2c1C)C(=O)ONC(=O)c1c(OC(C)C)c(ccc1)C)C	PC-id_25160541	387.492	ZCISKBGCQICVHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118393
c1(c2CCCc2sc1NC(=O)C(CC)Oc1ccccc1)C(=O)OC(C)C	TIMTEC261759,MCULE-7553177631,EMOLS-id_4065499,PC-id_4668261,SPECS-id_AK-968/15603507	387.493	KHRDUFYTQHZUFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118394
COC(=O)c1c(NC(=O)[C@@H](Oc2ccc(cc2)C(C)C)C)sc2c1CCC2	PC-id_9239205,GD-id_ZINC08108937	387.493	CYSLPHNGOBBSFQ-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118395
s1c2c(CCC2)c(c1NC(=O)c1c(OCCCCC)cccc1)C(=O)OC	PC-id_4946567	387.493	UERTXZADIMWMTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118396
COC(=O)c1c(NC(=O)C[N@H+]([C@H]2CCS(=O)(=O)C2)C)sc2c1CCC2	GD-id_ZINC20678939	387.494	BDZUVLQXEBYQSQ-JTQLQIEISA-O	00000010100000000000000010000000000000000000000000000000	25-01-118397
c1(c2CCCc2sc1NC(=O)CN(C)C)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_233080312,PC-id_1328405,MCULE-7409078667,ChEMBL-DNDi_CHEMBL7005647,ZINC22_4845160	387.496	REVYEPMHRTZSMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118398
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)c2CSCc2nn1C(C)(C)C	PC-id_4067710,MCULE-2946327461	387.496	XMEUMPDLPWDIRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118399
CCCCCCCCOc1ccc(cc1OC)/C=c/1sc2n(c1=O)ncn2	STOCK3S-38638,ZINC22_100870971,EMOLS-id_206965186	387.496	YGJHKFSHYOLZEQ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-118400
CCCOc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1OCC	EMOLS-id_324859619	387.496	BLEIZRUXIWWACV-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-118401
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1OCC	EMOLS-id_324853478	387.496	IUKHEQBJVZKHLI-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118402
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)cc1OC	EMOLS-id_324856032	387.496	FSKRCNLLFUGVAI-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-118403
C[C@H]1[C@H](N(C)C)CCN1C(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	ZINC22_1468455741	387.496	RJGLQRWXQADLCS-GXTWGEPZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-118404
C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	ZINC22_1468455742	387.496	RJGLQRWXQADLCS-JSGCOSHPSA-N	00000010101000000000000010000000000000000000000000000000	25-01-118405
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	ZINC22_1468455743	387.496	RJGLQRWXQADLCS-OCCSQVGLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-118406
C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	ZINC22_1468455744	387.496	RJGLQRWXQADLCS-TZMCWYRMSA-N	00000010101000000000000010000000000000000000000000000000	25-01-118407
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)cc1OCC	EMOLS-id_324855008	387.496	BRTAZHAKGSBSHD-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-118408
COc1ccc(/C=C/C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1OC	PC-id_6002063,EMOLS-id_26441638,ZINC22_4087657,CoCoCo_4980067	387.496	XMEUMPDLPWDIRO-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118409
COc1cc(/C=CC(=O)Nc2c3CSCc3nn2C(C)(C)C)ccc1OC	PC-id_92225899,CoCoCo_4980068	387.496	XMEUMPDLPWDIRO-CLFYSBASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118410
n12c(=O)c(=Cc3ccc(c(OC)c3)OCCC)sc1nc(C(CC)CC)n2	MCULE-6579784058	387.496	FSKRCNLLFUGVAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118411
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCCC)sc1nc(C(C)(C)C)n2	MCULE-9475397378	387.496	IUKHEQBJVZKHLI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118412
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCC)sc1nc(C(CC)CC)n2	MCULE-7931584179	387.496	BRTAZHAKGSBSHD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118413
O1CCN(C[C@@H](O)COc2cc(C[NH2+]Cc3n[nH]c4c3CCC4)ccc2)CC1	PC-id_28374692	387.496	STINKVKFCFBDFR-QGZVFWFLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118416
O1CCN(C[C@H](O)COc2cc(C[NH2+]Cc3n[nH]c4c3CCC4)ccc2)CC1	PC-id_28374694	387.496	STINKVKFCFBDFR-KRWDZBQOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118417
O1CCN(CC(O)COc2cc(C[NH2+]Cc3n[nH]c4c3CCC4)ccc2)CC1	PC-id_74556892	387.496	STINKVKFCFBDFR-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118418
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1ccc(OC)cc1)C)C)C(=O)N	PC-id_26450122	387.496	LKVWACSVTRWLFH-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118419
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1ccc(OC)cc1)C)C)C(=O)N	PC-id_26450124	387.496	LKVWACSVTRWLFH-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118420
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1cc(OC)ccc1)C)C)C(=O)N	PC-id_40745574	387.496	VQGHHTPUBOKINP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118421
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1cc(OC)ccc1)C)C)C(=O)N	PC-id_40745576	387.496	VQGHHTPUBOKINP-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118422
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1c(OC)cccc1)C)C)C(=O)N	PC-id_26300417	387.496	JEEQYDDFDZKHIE-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118423
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1c(OC)cccc1)C)C)C(=O)N	PC-id_26300419	387.496	JEEQYDDFDZKHIE-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118424
s1c2c(CCC2)c(c1NC(=O)[C@H](N(CCOc1ccccc1)C)C)C(=O)N	PC-id_26299103	387.496	LKGNDQRUQIGNGD-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118425
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(CCOc1ccccc1)C)C)C(=O)N	PC-id_26299105	387.496	LKGNDQRUQIGNGD-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118426
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1ccc(OC)cc1)C)C)C(=O)N	PC-id_51245960	387.496	LKVWACSVTRWLFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118427
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(OCC)cc1)C)C(=O)N	PC-id_8799611	387.496	RACNXAUTKOMBMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118428
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1cc(OC)ccc1)C)C)C(=O)N	PC-id_51243066	387.496	VQGHHTPUBOKINP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118429
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c(OC)cccc1)C)C)C(=O)N	PC-id_51243221	387.496	JEEQYDDFDZKHIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118430
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(OC)ccc(c1)C)C)C(=O)N	PC-id_8805427	387.496	ZBVWSZCKOAMJOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118431
s1c2c(CCC2)c(c1NC(=O)CN(CCCOc1ccccc1)C)C(=O)N	PC-id_37115477	387.496	LMERPCRQMWTKRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118432
s1c2c(CCC2)c(c1NC(=O)C(N(CCOc1ccccc1)C)C)C(=O)N	PC-id_24506652	387.496	LKGNDQRUQIGNGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118433
s1c2c(CCC2)c(c1NC(=O)CN(CCOc1c(cccc1)C)C)C(=O)N	PC-id_26424942	387.496	FURWFPIVZGLBBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118434
s1c2c(CCC2)c(c1NC(=O)CN(CCOc1ccc(cc1)C)C)C(=O)N	PC-id_26429269	387.496	JXKMNSCOYBPEDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118435
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(OC)cc(OC)c1	PC-id_44060367	387.496	MXCGZSHJRCKUCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118436
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(OC)c(OC)cc1	PC-id_44060366	387.496	JTBOVIIBKXEAKX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118437
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(OC)cccc1OC	PC-id_44060422	387.496	WBMUCLWFUZYMMI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118438
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(OC)cc(OC)cc1	PC-id_44060365	387.496	OGTOFIXGTBMOKM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118439
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(OC)c(OC)ccc1	PC-id_44060295	387.496	KSAGOFXSFYHUIR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118440
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1ccc(OC)cc1	PC-id_44060313	387.496	VBSZELZWAYFFLB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118441
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1cc(OC)ccc1	PC-id_44060312	387.496	ANXDJHWKODVSLI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118442
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1c(OC)cccc1	PC-id_44060311	387.496	BVWDOJZGDPIFDL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118443
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCC(C)C	PC-id_16947840	387.496	QVQOAFKXMFHAQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118444
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCCCC	PC-id_16947866	387.496	XNZICMSPFNPPRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118445
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2C)C)sc2c(CCC2)c1C#N	EMOLS-id_322860263,MCULE-1870572109	387.497	ZVQVFKOEMUYTNH-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-118446
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2)CC)sc2c(CCC2)c1C#N	MCULE-2344710706,EMOLS-id_322860775	387.497	SHLLOHPNJBYQER-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-118447
c1(NC(=O)c2ccc(nc2C)c2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	MCULE-6645797257,EMOLS-id_322860519	387.497	KEVHPQSVIYZCJG-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-118448
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(C(C)C)cc4)/c(=O)n3n2)cc1	ZINC22_16735440,EMOLS-id_45964843	387.497	DRXXPHTYIBTEIS-ZXTVHIMQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118449
CC(C)(C)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_324917255	387.497	YVQPLHCABVGNAJ-NIFOVZITSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118450
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)C=Cc1ccc(cc1)C	MCULE-7294158345	387.497	DRXXPHTYIBTEIS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118451
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C=Cc1ccccc1	MCULE-5081018174	387.497	YVQPLHCABVGNAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118452
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1sc2CCCc2c1C#N	MCULE-4129358211,EMOLS-id_328220791	387.497	RFRCQCSVQXGAMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118453
N#Cc1c(NC(=O)CNC(c2ccccc2)c2ccccc2)sc2c1CCC2	MCULE-8963536348,CoCoCo_3571578,ZINC22_57449364,PC-id_3689227,EMOLS-id_48932500	387.497	XSWWRHBLFCGDGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118454
c1(NC(=O)CSc2scc(c3ccco3)n2)sc2c(CCC2)c1C#N	MCULE-8377386338,EMOLS-id_324910410	387.499	NNGRUIDSGYSPDM-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-118455
Cc1nnc2CC(CNC(=O)c3cc4c(CCOC54CCNCC5)s3)Cn12	EMOLS-id_337818158,MCULE-4381746221	387.499	WVRYZWKFUWYGCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118456
Cc1nnc2n1C[C@@H](CNC(=O)c1cc3c(s1)CCOC13CCNCC1)C2	ZINC22_2356146819	387.499	WVRYZWKFUWYGCT-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118457
Cc1nnc2n1C[C@H](CNC(=O)c1cc3c(s1)CCOC13CCNCC1)C2	ZINC22_2356146820	387.499	WVRYZWKFUWYGCT-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118458
CC1OC(C)CN(C1)c1ccnc(c1)C(=O)NCCc1cn2c(n1)SCC2	EMOLS-id_101145833	387.499	SPZBUCNWGBAZSG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-118459
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccs1	BindingDB_PC-id_54583951,PC-id_54583951	387.499	JPAVVQWCECWANY-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-118460
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cscc1	PC-id_54586824,BindingDB_PC-id_54586824	387.499	YYOQLHOTDBEPGW-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-118461
COc1ccnc(c1)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001980	387.499	NKLNVEMRBYXOCP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-118462
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1[nH+]cccc1)C(=O)N	PC-id_8547341	387.499	APPUMNDEEWHSGD-UHFFFAOYSA-P	00000010100010101001100010000000000000000000000000000000	25-01-118463
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)Cc1noc(c1)C)C#N	PC-id_9437752	387.499	ITJKLAZIHHAIQR-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-118464
s1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(CC2)C)(C)C)ccc1	PC-id_11740928	387.499	QMLXNAXZQUDLAP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-118465
N#Cc1c(NC(=O)CSc2nc(c3cccs3)n[nH]2)sc2c1CCC2	CoCoCo_3010954,EMOLS-id_11765305,CoCoCo_3010951,CoCoCo_3010953,CoCoCo_3010952,MCULE-9057102292,ZINC22_8230685,PC-id_9361237	387.502	WFKFVWAITLEKQX-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118466
CC(Cc1c(ccc(c1)F)OC)C(C)C=Nc1c(c2c(s1)CCC2)C(=O)C	PC-id_91068997	387.511	ZSYRXGPNSLGNDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118467
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1CN1CCN(CC1)CC	EMOLS-id_6890094,CoCoCo_4651607,PC-id_984066,CoCoCo_4651606,MCULE-4258936795,ZINC22_22461400	387.514	YXQIFCNSTZPGKB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118468
Fc1ccc(cc1)SCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109850	387.514	FGELWQVMEALGTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118469
s1c2c(CCC2)cc1C(=O)NC[C@@H]([NH+]1CCOCC1)c1ccc(OC)cc1	PC-id_41324561	387.516	DFQSABVJCOMBBV-GOSISDBHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118470
s1c2c(CCC2)cc1C(=O)NC[C@H]([NH+]1CCOCC1)c1ccc(OC)cc1	PC-id_41324562	387.516	DFQSABVJCOMBBV-SFHVURJKSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118471
s1c2c(CCC2)cc1C(=O)NCC([NH+]1CCOCC1)c1ccc(OC)cc1	PC-id_74757141	387.516	DFQSABVJCOMBBV-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118472
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC)C(=O)c1c(OC)cccc1	PC-id_7383447	387.516	SJULWNAGWWLPFW-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118473
s1c(C(=O)N2CC[NH+](CC2)Cc2cc(OC)c(OC)cc2)cc2c1CCC2	PC-id_9474872	387.516	RBZSROSEXPQLAX-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118474
s1c(C(=O)N2CC[NH+](CC2)CCOc2ccc(OC)cc2)cc2c1CCC2	PC-id_9462843	387.516	TVMGPVRBUJYQCN-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118475
CCN(CC)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-8887511413,EMOLS-id_328218494	387.517	HCFBAOFTNYBXLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118476
COc1c(sc2c1CCC2)C(=O)NCCN1CCN(CC1)S(=O)(=O)C	PC-id_91956499	387.517	DAXIODQQSGLUDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118477
c1(NC(=S)NC(=O)c2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)N	TIMTEC526864,MCULE-4109883918,ZINC22_6263182,PC-id_4504220	387.519	WLKKDRXRFGCTER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118478
CC(CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C1CC1)C	PC-id_54583952,BindingDB_PC-id_54583952	387.519	PWMQUOFEZWCTAE-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-118479
CN(C1CCN(CC1)C(=O)CC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98461623	387.519	CQEKARHKRGHWNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118480
NC(=O)CSC(=C)N(C(=O)c1c(N)sc2c1CCC2)Cc1ccccc1	SCHEMBL12237368,PC-id_68222260	387.519	UNDQQPNDSNZPFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118481
O=C(C[N@@H+](Cc1ccccc1N1CCOCC1)C)/N=c/1[nH]c2c(s1)CCC2	GD-id_ZINC52103238	387.519	ZDRHUMXXXNEIIL-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-118482
CN(S(=O)(=O)C)C1CCN(CC1)C(=O)NCCc1nc2n(c1)CCS2	EMOLS-id_99855089	387.521	UQKPUWUOLQXQKI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118483
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)C(=O)C1CCCCC1	PC-id_109800310	387.522	YZVAUWQLLWLDDG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118484
N#Cc1c(NC(=O)CCN2CCN(c3nccs3)CC2)sc2c1CCC2	ZINC22_57923236,MCULE-9356032334,EMOLS-id_30241454,PC-id_45863867	387.522	QHLOGQOKHBZCRV-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-118485
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)CC1CCCC1)C#N	PC-id_16587741	387.522	DXPZQNXIFKOZQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118486
CCOc1ccc(c(c1)OC)CNC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C	PC-id_143171827	387.536	AGIYVPZUCRMLRC-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118487
OCCCOc1c(C)cc(cc1C)CNC(=O)c1sc(c2c1CC[C@H]2C)C	PC-id_143171817	387.536	FDBLWSRYUQHNMB-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118488
Cc1ccc(c(c1)C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110016	387.539	KKMFHKZIGQNVNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118489
Cc1ccc(cc1C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110018	387.539	PBDXUVKXMKHJLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118490
Cc1cccc(c1)CS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110047	387.539	BQLFIOUDMIPJSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118491
Cc1ccc(cc1)CS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110074	387.539	AXSOFFLCPYSVEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118492
Cc1ccc(c(c1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92110017	387.539	ZXNRAJFFIJIRNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118493
CC(NC(=O)CCCC(=O)Nc1sc2CCCc2c1C#N)C1CCCCC1	MCULE-3078245258,EMOLS-id_328229991	387.539	ZIHRGDRJLRXMRX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-118494
N#Cc1c(NC(=O)C(N2CCC(CC2)OC2CCCC2)C)sc2c1CCC2	EMOLS-id_99141061	387.539	KQVQPNDSTKKSCS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-118495
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)c1ccc(cc1)C(C)(C)C	EMOLS-id_101320013	387.539	NXBVMFAQYLJUDE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118496
c1(CN2CCC(CC2)COc2c(C)cnc(SC)n2)c2CCCc2nn1C	ZINC22_1888875579,MCULE-8548808161,EMOLS-id_324597813	387.542	IGISYXFKXMZPCZ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-118497
CSc1nc(C)c(C)c(OCC2CCN(Cc3n[nH]c4c3CCC4)CC2)n1	ZINC22_2298063524,EMOLS-id_337767349,MCULE-5028082750	387.542	LIHJEFKFZVMZPM-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-118498
s1c2CCCc2nc1NC(=O)c1ccc(SCc2nc(sc2)C)cc1	PC-id_33041046	387.542	CVYKVAOHRCIYJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118499
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccs1)N1CCCC1	PC-id_111012809	387.545	CWGMUGKFIKLKQW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118500
CN=C(NCc1nnc2n1CCC2)NCC1CCCN(C1c1cccs1)C	PC-id_111666074	387.545	SYNPQSJGOHDXJR-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-118501
O=C(N1Cc2c(C1)n(nc2C)COCC[Si](C)(C)C)OCc1ccccc1	PC-id_68404866,SCHEMBL12849431	387.548	QSDIMSJAQKAUNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118502
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(SCC)cccc1	PC-id_44060417	387.562	KSIWKYCWPAUYPR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118503
s1c2CCCc2nc1CN1CCN(CC1)C(=O)CSCc1ccccc1	PC-id_44060400	387.562	LGNZFAQJABGENW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118504
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCCC1)N1CCCCC1	PC-id_111020359	387.565	UFNHAEKHPGIYIR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-118505
CN=C(N1CCN(CC1)C1CCC(CC1)C(C)C)NCc1nnc2n1CCC2	PC-id_109563038	387.565	XCWKXIIXUVYICZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-118506
Clc1cc2c(s1)CCC2Nc1cc([N+](=O)[O-])c(cc1Br)C	PC-id_104814815	387.679	QBIYPVSTTCAVQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118507
O=C(COc1ccc(Br)cc1Cl)Nc1nc2c(s1)CCC2	EMOLS-id_43971908,CoCoCo_4164300,ZINC22_12899736,MCULE-1590837585,PC-id_25587638	387.679	GMAXTAMPZIAWKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118508
O=C(COc1ccc(Cl)cc1Br)Nc1nc2c(s1)CCC2	EMOLS-id_43971888,ZINC22_15636684,CoCoCo_4164196,MCULE-9598439605,PC-id_24247331	387.679	ZPRVLYGMOMVHMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118509
OC(=O)C1CCc2c1nc(s2)Nc1cc(Cl)c(cc1Br)C	PC-id_104725495	387.679	HDLFADGCYDGTKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118510
Brc1c(C(Cl)c2sc3c(CCC3)c2)cc(OC)c(OC)c1	PC-id_63432304	387.719	IZUWTGVZIFJHQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118511
BrC(c1sc2c(CCC2)c1)c1cc(OC)c(OC)cc1Cl	PC-id_63445005	387.719	MMELZGFQZZTUQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118512
COc1cc(Br)c(cc1C(c1sc2c(c1)CCC2)Cl)OC	PC-id_105057267	387.719	COGRQLHUUNOMQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118513
COc1ccc(c(c1Br)OC)C(c1sc2c(c1)CCC2)Cl	PC-id_116466226	387.719	KEQNHMUHCSYYRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118514
COc1ccc(c(c1Cl)OC)C(c1sc2c(c1)CCC2)Br	PC-id_116464742	387.719	LSNCZCQBGLDHHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118515
Fc1ccccc1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324884485	387.815	FQAQYKJZOVABHG-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118516
Fc1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324842746	387.815	VKWLXWIKFXMKDX-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118517
Fc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324883461	387.815	CQNRVGSRWBTWMT-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118518
Fc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324841722	387.815	NZIAZHAKRQXCAW-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118519
Fc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324885511	387.815	WDKIJURMFGLBSS-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118520
Fc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324843772	387.815	PRUIIHZTQOHEOJ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118521
Fc1cccc(Cl)c1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324843250	387.815	NZLKSDRBUBXPBF-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118522
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1ccccc1	MCULE-3126483634	387.815	NZLKSDRBUBXPBF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118523
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1ccccc1Cl	MCULE-8199795048	387.815	FQAQYKJZOVABHG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118524
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1ccc(Cl)cc1	MCULE-5431307811	387.815	VKWLXWIKFXMKDX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118525
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1ccccc1Cl	MCULE-3615362115	387.815	WDKIJURMFGLBSS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118526
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1ccc(Cl)cc1	MCULE-1015506101	387.815	PRUIIHZTQOHEOJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118527
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)COc1ccccc1Cl	MCULE-6509719414	387.815	CQNRVGSRWBTWMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118528
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)COc1ccc(Cl)cc1	MCULE-4835386475	387.815	NZIAZHAKRQXCAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118529
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)Cc1ccc(F)cc1	MCULE-3594985538	387.815	NALCEKYJPSZNOW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118530
Oc1ccc(Cl)cc1/C=c/1sc2nc(Cc3ccc(F)cc3)nn2c1=O	EMOLS-id_324841204	387.815	NALCEKYJPSZNOW-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118531
Clc1cc([N+](=O)[O-])c(c2oc(CNC(c3n4CCCc4nn3)C)cc2)cc1	PC-id_75929957	387.82	ITQRSVWGGYODAF-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-118532
Clc1cc([N+](=O)[O-])c(c2oc(CN[C@H](c3n4CCCc4nn3)C)cc2)cc1	PC-id_52828653	387.82	ITQRSVWGGYODAF-NSHDSACASA-N	00000010101000110001100010000000000000000000000000000000	25-01-118533
Clc1cc([N+](=O)[O-])c(c2oc(CN[C@@H](c3n4CCCc4nn3)C)cc2)cc1	PC-id_52828655	387.82	ITQRSVWGGYODAF-LLVKDONJSA-N	00000010101000110001100010000000000000000000000000000000	25-01-118534
Cc1nn(c2ccccc2Cl)c(=O)n1CC(=O)NCc1nnc2CCCn12	MCULE-3123718842,ZINC22_77504802,PC-id_70773363,EMOLS-id_43596719	387.824	YFJFLGLASBVDAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118535
Fc1ccc(c(c1)Cl)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109438	387.835	FCJJDDNXMCFOEU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-118536
Fc1cccc(c1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cl	PC-id_92109368	387.835	QMDKKYXSERMBIP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-118537
Clc1c(c2onc(C(=O)NNC(=O)c3sc4CCCc4c3)c2)cccc1	PC-id_47027834,MCULE-5976201021,EMOLS-id_44098750	387.84	YEJMIIMPHWSKKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118538
Clc1cc(c2onc(C(=O)NNC(=O)c3sc4CCCc4c3)c2)ccc1	PC-id_37338442	387.84	OXKCSENITWUULM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118539
Clc1ccc(c2onc(C(=O)NNC(=O)c3sc4CCCc4c3)c2)cc1	PC-id_24665349	387.84	YLQQAYWPEUBDLV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118540
C1CC1C(=O)NCc1nnc2n1C(CC2)C(=O)NCCc1ccc(cc1)Cl	PC-id_134787492	387.863	UIJQJCNBZYJUAE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-118541
Clc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436606	387.863	ZJKNLQFWNBAHEM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118542
Clc1ccc(cc1)NC(=O)N1CCCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101190925	387.863	ZSKCZPZGGOWAHQ-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-118543
O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)Nc1ccc(c(c1)Cl)C	EMOLS-id_110515713	387.863	MRNOKHKSOROGRF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118544
CC(=O)COc1cc(/N=c/2snc3n2CC(S3)(C)C)c(cc1Cl)F	SCHEMBL10550717,PC-id_13730419	387.88	LHUPWECZLBAZEW-AQTBWJFISA-N	00000010100000110001000010000000000000000000000000000000	25-01-118545
C(=C/1C(=C(C#N)C#N)C2=C(SC(=C2C1=O)C#N)C#N)I	PC-id_163939342	387.892	RPQHRWDPYDADQQ-LREOWRDNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-118546
[Se]1[Se][Se]c2c1c(Cl)sc2Cl	PC-id_85607555	387.894	RVEKCNUHTRYADD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118547
CCCCc1cc2n(c1C(=O)c1cccc(c1)Cl)CCC2C(=O)OC(C)C	PC-id_20351623,SCHEMBL11601664	387.9	WSPSJRFQQMILAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118548
Clc1ccc(cc1)OCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109796	387.903	KIZLOVHQUNPEGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118549
Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1C1CCCCC1)CCC2	PC-id_75405783,EMOLS-id_48224574,ZINC22_65855854,MCULE-9797543304	387.903	ZQYAHPACGKMBAI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118550
COc1ccc(cc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cl	PC-id_92109785	387.903	ZKJXXXCXHQEXFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118551
Clc1ccc(/C=C/C(=O)NC(=S)Nc2sc3CCCc3c2C#N)cc1	PC-id_17195772	387.906	UHQBBMPPNGLRAJ-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118552
Clc1ccc(C=CC(=O)NC(=S)Nc2sc3CCCc3c2C#N)cc1	PC-id_73373867	387.906	UHQBBMPPNGLRAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118553
Clc1c(C=CC(=O)NC(=S)Nc2sc3CCCc3c2C#N)cccc1	PC-id_4955504	387.906	FYTWRRYNYRJZKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118554
Clc1c(/C=C/C(=O)NC(=S)Nc2sc3CCCc3c2C#N)cccc1	PC-id_6235294	387.906	FYTWRRYNYRJZKY-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118555
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1ccccc1Cl	PC-id_111177608	387.91	WUUXHSVGMKSMJE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118556
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1cccc(c1)Cl	PC-id_111186621	387.91	GWMAWJGAZWKHBU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118557
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1cccc(c1)Cl	PC-id_109463014	387.91	AHAORGPRMNWIGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118558
CN=C(N1CCN(CC1)c1cc(Cl)ccc1C)NCc1nnc2n1CCC2	PC-id_111264267	387.91	SCFHDKJUUVHZMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118559
Clc1ccc(C(NCC(=O)Nc2sc3CCCc3c2C#N)C(C)C)cc1	PC-id_16598707	387.926	MFLGTKJZDPWDGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118560
Clc1cc(C(N(CCC(=O)Nc2sc3CCCc3c2C#N)C)C)ccc1	PC-id_56101370	387.926	UPFROWKHYAUJSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118561
Clc1cc(Sc2ccccc2)cc(n1)Nc1nc2c(s1)C(CC2)(C)C	PC-id_144988262	387.949	NXSLKQFJZMBTJS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-118562
Clc1nc(cc(c1)Sc1ccccc1)Nc1sc2c(n1)CC(C2)(C)C	PC-id_144988084	387.949	XAMHXPOWHNFXKZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-118563
Ic1sc(I)c2c1C(=O)C=C2	CoCoCo_5770700,NSC704117,PC-id_396934	387.964	QGAHUYYADXDHEL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-118564
CC1CCc2c1c(Br)nn2Cc1cc(Br)ccc1F	EMOLS-id_330966014,MCULE-7967620063	388.073	ZNEZOHVADDIJQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118565
CC1CCc2c1c(Br)nn2Cc1ccc(Br)cc1F	EMOLS-id_330968573,MCULE-3200903604	388.073	RECKHHKBIXFXDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118566
CC1CCc2c1c(Br)nn2Cc1ccc(Br)c(F)c1	EMOLS-id_330968829,MCULE-3093378980	388.073	ITLDBKFYXUOQDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118567
CC1CCc2c1c(Br)nn2Cc1cccc(Br)c1F	EMOLS-id_330966270,MCULE-1248370400	388.073	LMJGKGVSGPTIPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118568
CC1CCc2c1c(Br)nn2Cc1cccc(F)c1Br	MCULE-8143007217,EMOLS-id_330968318	388.073	DRYKSYPJZXHYCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118569
CC1CCc2c1c(Br)nn2Cc1ccc(F)c(Br)c1	EMOLS-id_330965758,MCULE-5933013547	388.073	QZJCVMGEWNLPAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118570
CC1CCc2c1c(Br)nn2Cc1ccc(F)cc1Br	MCULE-8335546470,EMOLS-id_330967806	388.073	HQGMNJNRMZFJDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118571
CC1CCc2c1c(Br)nn2Cc1cc(F)cc(Br)c1	MCULE-5680005681,EMOLS-id_330966526	388.073	WQZALSQYFYUNBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118572
CC1CCc2c1c(Br)nn2Cc1c(F)cccc1Br	EMOLS-id_330968062,MCULE-9104527098	388.073	HCWSHPLSKRMYKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118573
CC1CCc2nn(Cc3cc(Br)ccc3F)c(Br)c12	EMOLS-id_331017642,MCULE-8130882289	388.073	ILTRAUUTNSIRIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118574
CC1CCc2nn(Cc3ccc(Br)cc3F)c(Br)c12	MCULE-1786141446,EMOLS-id_331016106	388.073	GVMYNYJPQVOTIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118575
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(Br)c12	EMOLS-id_331016362,MCULE-6420817476	388.073	LSTSGRPUEPSDBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118576
CC1CCc2nn(Cc3cccc(Br)c3F)c(Br)c12	EMOLS-id_331017898,MCULE-5065277747	388.073	OELXIOQPSXCBMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118577
CC1CCc2nn(Cc3cccc(F)c3Br)c(Br)c12	EMOLS-id_331015851,MCULE-9489893421	388.073	XPWFWYNMRWNLLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118578
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(Br)c12	EMOLS-id_331017386,MCULE-6635731545	388.073	VWORZJYAJSVOBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118579
CC1CCc2nn(Cc3ccc(F)cc3Br)c(Br)c12	MCULE-5297296432,EMOLS-id_331015339	388.073	HMZDVNNIQUOLAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118580
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(Br)c12	EMOLS-id_331018154,MCULE-8422516851	388.073	GXWLBPWRDZDGAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118581
CC1CCc2nn(Cc3c(F)cccc3Br)c(Br)c12	MCULE-5522553051,EMOLS-id_331015595	388.073	SAASQTTXLQSHLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118582
CC(C)(C)C
=NN2C(=NN=C2/C1=CC3=NC(=CC=C3)Br)CN(C)C	PC-id_147638206	388.101	GHBYBXXYVOCHOH-XFXZXTDPSA-N	00000000100000101001000010000000000000000000000000000000	25-01-118583
Brc1c(C(O)c2sc3c(CCC3)c2)cc(Br)cc1	PC-id_61099222	388.117	BXSIMHZDBZAGEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118584
Brc1cnc(c(c1)Br)NCc1sc2c(c1)CCC2	PC-id_113413669	388.121	CBYCHLPXWRDGLK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-118585
C/C=C(C=N)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@@H](CO)C3=CC=CC=C3	PC-id_164872295	388.121	MGECDBGZTBGZDZ-XVJQGOKGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118586
C/C=C(C=N)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3	PC-id_164872311	388.121	MGECDBGZTBGZDZ-BAAOWKFNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118587
NC(c1ccc(c(c1)Br)Br)c1sc2c(n1)CCC2	PC-id_108400384	388.121	YZVMFSXXRWIYIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118588
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2)Br)n1	PC-id_1129748,CoCoCo_224979,MCULE-7862262498,EMOLS-id_1359701,BAS-01939653,ZINC22_869821	388.182	BDYAROXQYAIQOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118589
C1C2=C(CN1CCC3=CC=CC=C3)NN=C2C(CC(=O)C4=CC=CC=C4)C(=O)N	PC-id_153863731	388.19	YBHYEAMTQIGCLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118590
CC1CCc2c1c(I)nn2Cc1c(C)cc(F)cc1F	MCULE-8740243211,EMOLS-id_330979326	388.194	QHQBRVVKLKOGHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118591
CC1CCc2c1c(I)nn2Cc1ccc(F)c(F)c1C	MCULE-2609207263,EMOLS-id_330979070	388.194	LIMBZPXJCZAQHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118592
CC1CCc2c1c(I)nn2Cc1cc(F)cc(F)c1C	EMOLS-id_330978814,MCULE-7364482779	388.194	XRAQELCSFLEBNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118593
CC1CCc2nn(Cc3c(C)cc(F)cc3F)c(I)c12	MCULE-6186821721,EMOLS-id_330963386	388.194	VAMFLMCOTYBLAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118594
CC1CCc2nn(Cc3ccc(F)c(F)c3C)c(I)c12	MCULE-9994504499,EMOLS-id_330963130	388.194	YJAAGSLRQSKQRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118595
CC1CCc2nn(Cc3cc(F)cc(F)c3C)c(I)c12	MCULE-3156666706,EMOLS-id_330962874	388.194	SWEROMAWNQDQAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118596
CC(c1cccc(F)c1F)n1nc2CCC(C)c2c1I	EMOLS-id_330964671,MCULE-8771031171	388.194	HGYSNHIIKWCENZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118597
CC(c1ccc(F)cc1F)n1nc2CCC(C)c2c1I	EMOLS-id_330963901,MCULE-7757102051	388.194	DHTNZICKXWCQLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118598
CC(c1ccc(F)c(F)c1)n1nc2CCC(C)c2c1I	EMOLS-id_330964157,MCULE-4270993559	388.194	ATPMIINAKMPLLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118599
CC(c1cc(F)ccc1F)n1nc2CCC(C)c2c1I	EMOLS-id_330964415,MCULE-6105676128	388.194	TYUZDJCYXMAOQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118600
CC(c1c(F)cccc1F)n1nc2CCC(C)c2c1I	MCULE-2385538021,EMOLS-id_330964159	388.194	AQZVYMCGBXDXTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118601
CCCC1=NSC(=N1)N2CCC(C2)N(CC)C(=O)C3=C4CCCC4=NN3C	PC-id_154798535	388.205	RLURBJQWNVZQOQ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-118602
O=C(NCc1nnc2n1CCC2)c1cn(c2cccc(Br)c2)nn1	MCULE-7885165598,EMOLS-id_30641574,ZINC22_46329849,PC-id_47026627	388.222	OWKZZXRWRGRVGR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118603
O=C(NCc1nnc2n1CCC2)c1cn(c2ccccc2Br)nn1	PC-id_45879555,EMOLS-id_44094454,ZINC22_40079937,MCULE-9755978577,CoCoCo_4829096	388.222	VDGUGRPXNWYAJA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118604
CC1CCc2c1c(CN)nn2Cc1ccc(c(Br)c1)C(F)(F)F	EMOLS-id_331015410,MCULE-1121607210	388.225	JPMWMPOJZWZIPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118605
CC1CCc2c1c(CN)nn2Cc1ccc(cc1Br)C(F)(F)F	EMOLS-id_331016945,MCULE-7724759558	388.225	HNIXSWHYBHRAKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118606
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(CN)c12	EMOLS-id_330997180,MCULE-6814739226	388.225	HAZKQASHUNMURW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118607
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(CN)c12	EMOLS-id_330994620,MCULE-4098198242	388.225	KMWIXPZRLYUOJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118608
Ic1scc(C(=O)N(Cc2n3CCCc3nn2)C)c1	PC-id_78949641	388.227	MIXWOTFRLYFEBY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118609
Ic1scc(C(=O)NC(c2n3CCCc3nn2)C)c1	PC-id_78950115	388.227	LWVTZXYLVLUNDO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118610
CCOC(=O)C(C1CCN(C1)C(=O)c1c(Br)nc2n1CCC2)F	EMOLS-id_278436052	388.232	GFTDWQZRZKZJBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118611
Clc1c(S(=O)(=O)N)cc(Cl)c(N/N=C/2c3n(N=C2C)nc(n3)C)c1	PC-id_23579535	388.232	GAQQQSUGTRRRCC-WQRHYEAKSA-N	00000011100000110001000010000000000000000000000000000000	25-01-118612
Clc1c(S(=O)(=O)N)cc(Cl)c(NN=C2c3n(N=C2C)nc(n3)C)c1	PC-id_74064824	388.232	GAQQQSUGTRRRCC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-118613
COc1cc(c(cc1OC)Br)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316740613	388.237	BNEYKAZRSKUKTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118614
COc1cc(OC)c(cc1S(=O)(=O)N1CCn2c1ncc2)Br	MCULE-8857028459,EMOLS-id_320141578	388.237	UGEWDRSUHWWNQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118615
COC(=O)c1c(NC(=O)c2cc(F)c(Cl)cc2Cl)sc2c1CCC2	MCULE-2337425012,EMOLS-id_44516927,ZINC22_61049804,PC-id_71902034	388.241	XZKAOXVSPGIQJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118616
Cc1cc(F)c(cc1S(=O)(=O)NC1CC(n2c1ncc2)C)Br	EMOLS-id_101318422	388.255	QINPFLCBTQVGCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118617
Cc1cc(F)c(cc1S(=O)(=O)Nc1n(C)nc2c1CCC2)Br	EMOLS-id_100283890	388.255	MNTBHQYRHBLAMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118618
Fc1cc(Br)c(cc1S(=O)(=O)NC1CC(n2c1ncc2)C)C	EMOLS-id_101788118	388.255	XZPCTXCJRFITFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118619
Fc1cc(Br)c(cc1S(=O)(=O)Nc1n(C)nc2c1CCC2)C	EMOLS-id_101849548	388.255	YXOOGKLJMYYJTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118620
N#Cc1c(sc2c1CCC2)NS(=O)(=O)c1n(C)nnc1Br	PC-id_106467553	388.263	LGOGHTZCYVGOBI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118621
Clc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1Cl	EMOLS-id_324835063	388.27	BIKLKZZIAMESSL-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118622
Clc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c(Cl)c1	EMOLS-id_324836598	388.27	HGSLYLWYXQXMBL-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118623
Clc1cccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)c1Cl	EMOLS-id_324834040	388.27	YJIDOJIKXZSKMP-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118624
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)Cc1ccccc1	MCULE-7123520924	388.27	YJIDOJIKXZSKMP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118625
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)Cc1ccccc1	MCULE-3197199459	388.27	HGSLYLWYXQXMBL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118626
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)Cc1ccccc1	MCULE-8686857252	388.27	BIKLKZZIAMESSL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118627
O=c1/c(=C/c2c(Cl)cccc2Cl)/sc2nnc(Cc3ccccc3)n12	ZINC22_13547104	388.27	FISICUFHYVQVAC-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118628
COCCC1(CCC1)C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_278913577	388.277	UKOVLRRNJBVNSZ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-118629
O=C(O)c1sc2c(c1Br)CN(C(=O)CCC1CCOCC1)C2	EMOLS-id_278913517,ZINC22_910167238	388.277	FOBVAIWVZIKSPZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-118630
COc1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc(c1O)[N+](=O)[O-]	EMOLS-id_324907532	388.279	WEGRNJHYSSPDJH-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118631
n12c(=O)c(=Cc3cc(c(O)c(N(=O)=O)c3)OC)sc1nc(C(F)(F)F)n2	MCULE-3101375788	388.279	WEGRNJHYSSPDJH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118632
Brc1ccc(S(=O)(=O)NCCc2nc3SCCn3c2)cc1	PC-id_7640547	388.303	VVKAWMRVIWGKNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118633
Brc1cc(N)c(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)C	PC-id_114379364	388.303	ZYRRVWKMYWMFGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118634
Nc1cc(c(cc1Br)C)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_114625480	388.303	QNFOMHANSFTUKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118635
NCc1ccc(c(c1)Br)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106053317	388.303	NVQBXKXYBRHZLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118636
NCc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Br	PC-id_106053359	388.303	OAYBMONXLQVFQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118637
c1(NC(=O)C2C(C2(C)C)/C=C(Cl)/Cl)sc2c(CCC2)c1C(=O)OC	PC-id_2851657,TIMTEC476961,SPECS-id_AG-690/36758010,MCULE-7305805061,EMOLS-id_1020655	388.309	UHQSIQGEHJXZEZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-118638
COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2	CoCoCo_658999,ZINC22_677543,PC-id_1015868	388.309	UHQSIQGEHJXZEZ-RNCFNFMXSA-N	00100010100000000000000010000000000000000000000000000000	25-01-118639
COC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2	CoCoCo_659002,ZINC22_4322732,PC-id_6959217	388.309	UHQSIQGEHJXZEZ-NOZJJQNGSA-N	00100010100000000000000010000000000000000000000000000000	25-01-118640
COC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2	PC-id_1015867,ZINC22_677542,CoCoCo_659000	388.309	UHQSIQGEHJXZEZ-TVQRCGJNSA-N	00100010100000000000000010000000000000000000000000000000	25-01-118641
COC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2	ZINC22_677540,CoCoCo_659001,PC-id_1015865	388.309	UHQSIQGEHJXZEZ-ZANVPECISA-N	00100010100000000000000010000000000000000000000000000000	25-01-118642
s1c2CCCc2c(c1NC(=O)COc1c(F)c(F)c(F)c(F)c1F)C#N	PC-id_4511422	388.312	JEWOHLRGSUZTCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118643
c1nc2c([nH]1)C(=O)N(C2=O)CCOCCOCCN1C(=O)c2c(C1=O)nc[nH]2	PC-id_137646244	388.335	DFDACHLSZAMFID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118644
COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(F)c1F	ZINC22_408629057	388.337	KHNQBQNZZGKLFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118645
O=C(c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C)NCC(F)(F)F	EMOLS-id_316620602	388.365	FFYFSPQXTCRMET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118646
O=C(c1cccc(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)NCC(F)(F)F	EMOLS-id_316655150	388.365	JQTJJMWXPKVYKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118647
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCOCCO[N+](=O)[O-]	PC-id_10023137	388.371	YKFNEHCUXHADLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118648
O=C(c1c[nH]c(=O)n(c1=O)Cc1ccccc1F)Nc1onc2c1CSC2	PC-id_121026810	388.373	IWVATPNGUUKEQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118649
CCOC(=O)c1nc2n(n1)C(CC2OC(=O)c1ccc(cc1)[N+](=O)[O-])C(C)C	SCHEMBL20640749,PC-id_137408083	388.375	GZDDUSDSLMFOPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118650
CCOC(=O)c1nc2n(n1)[C@@H](C[C@H]2OC(=O)c1ccc(cc1)[N+](=O)[O-])C(C)C	SCHEMBL20640751,PC-id_137408085	388.375	GZDDUSDSLMFOPQ-UONOGXRCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118651
NCCc1nn2c(n1)C(C(=N2)C(=O)O)(N)Nc1c(C)[nH]n2c1nc(n2)CCN	PC-id_70157047,SCHEMBL7664842	388.388	WQQHMJGLJFYCPV-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-118652
c1(C(F)(F)F)nnc(SCC(=O)Nc2sc3c(CCC3)c2C#N)n1N	MCULE-7090026180,EMOLS-id_335743148	388.391	KVVJAJLBKXFTHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118653
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)NCCN1CCOCC1	PC-id_97525801	388.393	YEHMUANQHOYJHA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118654
c1(cnoc1c1ccccc1)C(=O)N1Cc2c(n(nc2)Cc2ccc(cc2)F)C1	MCULE-2746373856,EMOLS-id_82713719,PC-id_119063732,ZINC22_426473629	388.394	PUADZDLRUUNNNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118655
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)Cc1ccc(F)cc1	MCULE-9546252523	388.396	UVXVZQSEFQGFMN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-118656
O=C(Nc1ccc(c(c1)F)C(=O)N1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_100834605	388.396	NMMFISFPKZYWQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118657
[O-][N+](=O)c1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)s1	EMOLS-id_324839667	388.396	UVXVZQSEFQGFMN-WQLSENKSSA-N	00000000100100110001000010000000000000000000000000000000	25-01-118658
P(=O)(OCCC(CCC=C(C)C)C)(O)c1ncn2C(C(O)C(O)c12)CO	PC-id_85128356	388.396	BOTGTNAFAMASJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118659
P(=O)(OCC[C@H](CCC=C(C)C)C)(O)c1ncn2[C@@H]([C@@H](O)[C@H](O)c12)CO	PC-id_10385596	388.396	BOTGTNAFAMASJC-SJXGUFTOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118660
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)c1ccccc1n1cnnc1	ZINC22_426388533,EMOLS-id_82703639,PC-id_119059999,MCULE-6707798918	388.398	RNSZNPZFVFIYCO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118661
c1(NC(=O)CSCc2ccc(cc2)OC(F)(F)F)sc2c(CCC2)n1	MCULE-1709543265,EMOLS-id_323480843	388.428	QEOGZJQXOVYZMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118702
COC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)sc2c1CCC2	ZINC22_11458244,EMOLS-id_13467495,PC-id_17562465,CoCoCo_4495732,MCULE-4937368795	388.398	ZPWZVDBWLKMLTN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118662
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccccc2F)sc2c1CCC2	PC-id_7485383,ZINC22_5078755	388.413	UYKLZCJPCIPBAK-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118663
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(F)c2)sc2c1CCC2	PC-id_6242542,CoCoCo_2937234,ZINC22_6642774	388.413	FISUMQYQAPGQFS-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118664
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)sc2c1CCC2	ZINC22_6839675,PC-id_6306430,CoCoCo_2953716	388.413	PFEBNBLESOPQRS-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118665
O=C(/C=Cc1cccc(c1)F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2937235	388.413	FISUMQYQAPGQFS-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118666
O=C(/C=Cc1ccc(cc1)F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2953717	388.413	PFEBNBLESOPQRS-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118667
O=C(C=Cc1cccc(c1)F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_26037034,MCULE-5663419215,PC-id_4990203	388.413	FISUMQYQAPGQFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118668
O=C(C=Cc1ccccc1F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_43717368,PC-id_71954210,MCULE-6843479042	388.413	UYKLZCJPCIPBAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118669
O=C(C=Cc1ccc(cc1)F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-4831063801,EMOLS-id_26040010,PC-id_5224308	388.413	PFEBNBLESOPQRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118670
O=C(/C=Cc1ccccc1F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_97423627	388.413	UYKLZCJPCIPBAK-HJWRWDBZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118671
s1c2c(CCC2)c(c1NC(=O)C1ON=C(C1)c1ccc(F)cc1)C(=O)OC	PC-id_19491714	388.413	HJNCEWAJMKZDAD-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-118672
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1cc(F)c(OC)cc1)C#N	PC-id_8667120	388.413	IWMJGLMUVGOYCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118673
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](Oc1ccc(F)cc1)C)C#N	PC-id_8336064	388.413	KPWPYEXHPPWJJL-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-118674
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H](Oc1ccc(F)cc1)C)C#N	PC-id_8336065	388.413	KPWPYEXHPPWJJL-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118675
s1c2CCCc2c(c1NC(=O)COC(=O)C(Oc1ccc(F)cc1)C)C#N	PC-id_78668933	388.413	KPWPYEXHPPWJJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118676
OCC(COOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)(CO)NC	SCHEMBL21173556,PC-id_139326783	388.414	ZGNKCPZOBMZWCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118677
COC(=O)c1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	PC-id_46861298,EMOLS-id_31548294,MCULE-6420908631	388.416	HUHYAWTWYDDJOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118678
COC(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364495,PC-id_52340446	388.416	HUHYAWTWYDDJOG-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118679
COC(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364496,PC-id_52340447	388.416	HUHYAWTWYDDJOG-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118680
Fc1cccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc4CCCc4s3)C2=O)c1	ZINC22_170625557,MCULE-9609276525,STOCK7S-50596,EMOLS-id_50232048	388.416	ZDCMDWDPQMFXQV-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118681
N1(Cc2cccc(F)c2)C(=O)C(N=C1O)CC(=O)Nc1sc2c(CCC2)n1	MCULE-7100267622,EMOLS-id_54880964,PC-id_91640663,EMOLS-id_301191344	388.416	ZDCMDWDPQMFXQV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-118682
O=C(C[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)Nc1nc2c(s1)CCC2	ZINC22_252572373	388.416	ZDCMDWDPQMFXQV-CYBMUJFWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-118683
s1c2CCCc2nc1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(F)cc1)C	PC-id_51334399	388.416	GZEKSPGWDACZLL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118684
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(cc2OC)OC)n1	MCULE-9570286663	388.418	GALHTJXKCHCKGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118685
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2cc(OC)cc(OC)c2)n1	MCULE-2790608315	388.418	ULPXIHBWKMAYQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118686
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(cc2OC)OC)n1	MCULE-4382322600,EMOLS-id_316332345	388.418	GALHTJXKCHCKGP-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118687
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2cc(OC)cc(OC)c2)n1	MCULE-7463644905,EMOLS-id_317426785	388.418	ULPXIHBWKMAYQC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118688
c1(C(=O)NCCOC)cnn2CC(Cc12)NC(=O)c1cc(OC)cc(OC)c1	MCULE-6741424230	388.418	DCVSUPXVDCJJSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118689
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccc(cc1OC)OC	EMOLS-id_316323126,MCULE-8010826835	388.418	RNBKMJPOTHDPEH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118690
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1cc(OC)cc(OC)c1	EMOLS-id_317424736,MCULE-9577691931	388.418	DCVSUPXVDCJJSL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118691
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)CO)cc1)C	PC-id_67274784,SCHEMBL2091585	388.418	ZPZWKHOQOYCEPE-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118692
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)CO)cc1)C	SCHEMBL2091590,PC-id_67274786	388.418	ZPZWKHOQOYCEPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118693
O=C(N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)CC)c1ccccc1	PC-id_71460522	388.419	OWNZTXHPNQGKFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118694
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2cccnc2)C1)NCc1ccccc1	PC-id_68442402	388.422	LJMDQUYJHMFBBJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-118695
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2cccnc2)C1)NCc1ccccc1	SCHEMBL2923451,PC-id_68442400	388.422	LJMDQUYJHMFBBJ-CMDGGOBGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-118696
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2ccncc2)C1)NCc1ccccc1	PC-id_68442165,SCHEMBL2922837	388.422	HQPWKSGNBVTOII-VOTSOKGWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-118697
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccncc2)C1)NCc1ccccc1	PC-id_68442168	388.422	HQPWKSGNBVTOII-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-118698
c1(NC(=O)CCSc2ccc(cc2)OC(F)(F)F)sc2c(CCC2)n1	EMOLS-id_323420185,MCULE-3946105129	388.428	VCVIOFORADMGCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118699
c1(NC(=O)CCSc2cccc(c2)OC(F)(F)F)sc2c(CCC2)n1	EMOLS-id_323429142,MCULE-6510517424	388.428	KZTFRCLLURANSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118700
c1(NC(=O)CSCc2cccc(c2)OC(F)(F)F)sc2c(CCC2)n1	EMOLS-id_323472142,MCULE-1719678578	388.428	XDHGBWPSBRLUDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118701
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cc(C)cc(C)n1)C(=O)OC	PC-id_19224398,MCULE-3404037611	388.437	DHGDSKHOCDWJSW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-118703
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)OCCC	ZINC22_2764141,PC-id_5107962,EMOLS-id_4066258,MCULE-4432949009,TIMTEC489645,CoCoCo_5833102	388.437	UVXKZBGJGYADKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118704
c1(NC(=O)c2ccc(cc2)OC(=O)OCC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330066,MCULE-1250178449	388.437	NTWGFIXYPNNFQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118705
CC(C)C(=O)Nc1sc2c(c1C(=O)OCc1cccc([N+](=O)[O-])c1)CCC2	CoCoCo_2879755,EMOLS-id_3551997,MCULE-4961271028,PC-id_8850737,ZINC22_7735767	388.437	REXIHIKIENMZSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118706
CC(C)C(=O)Nc1sc2c(c1C(=O)OCc1ccc([N+](=O)[O-])cc1)CCC2	CoCoCo_2879752,ZINC22_7735766,MCULE-4362765751,PC-id_8850736,EMOLS-id_3551993	388.437	OSNNXIFQBSUUHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118707
CCOc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_2893014,ZINC22_7508436,MCULE-3008517083,PC-id_8606455,CoCoCo_2925645	388.437	QSPMGSIWABHOBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118708
CCOc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	EMOLS-id_43724810,MCULE-8660033601,ZINC22_3403270,PC-id_2521864	388.437	SHNGAQCRTWGVKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118709
COc1ccc(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	CoCoCo_2916167,ZINC22_2654217,MCULE-7921871199,EMOLS-id_3225769,PC-id_2117711	388.437	MLCYVSIQXOYPKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118710
s1c2CCCc2cc1C(=O)NN=C(c1cc(OC)c(OCC(=O)O)cc1)C	PC-id_85015422	388.437	QXBZBVUKOYQEHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118711
s1c2CCCc2cc1C(=O)N/N=C(c1cc(OC)c(OCC(=O)O)cc1)/C	PC-id_9462311	388.437	QXBZBVUKOYQEHV-JAIQZWGSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118712
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OC(=O)C)c(OC)c1	PC-id_85015606	388.437	MUZJHFMYDMRKAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118713
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_7521521	388.437	MDGOQKKBAYSGQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118714
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCC)cc1)C(=O)NC(=O)OC	PC-id_7521472	388.437	MPQMDTWHNHWJTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118715
s1c2c(CCC2)c(c1NC(=O)c1cc(OC)ccc1)C(=O)NC(=O)OCC	PC-id_7521520	388.437	OHYHIPHVGBUIIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118716
s1c2c(CCC2)c(c1NC(=O)c1c(OC)cccc1)C(=O)NC(=O)OCC	PC-id_7521549	388.437	BEUQIXBWAATZKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118717
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_8719162	388.437	KGVBGKSDLSHKCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118718
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(cc1)CO)C)C(=O)N	PC-id_8737295	388.437	UEXDWFCRZFYLEY-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-118719
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(cc1)CO)C)C(=O)N	PC-id_8737297	388.437	UEXDWFCRZFYLEY-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118720
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(ccc1O)C)C)C(=O)N	PC-id_31557374	388.437	LIFUIFHVQBUKKE-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118721
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(ccc1O)C)C)C(=O)N	PC-id_31557376	388.437	LIFUIFHVQBUKKE-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-118722
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(O)c(cc1)C)C)C(=O)N	PC-id_33282961	388.437	HLUGHNUKHXIUQB-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118723
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(O)c(cc1)C)C)C(=O)N	PC-id_33282966	388.437	HLUGHNUKHXIUQB-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-118724
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(O)cc(cc1)C)C)C(=O)N	PC-id_29967995	388.437	VQSVMTLCAAOOJU-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118725
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(O)cc(cc1)C)C)C(=O)N	PC-id_29967997	388.437	VQSVMTLCAAOOJU-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-118726
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1ccc(O)cc1)C)C(=O)N	PC-id_9061459	388.437	OTUQLAGIACXUSW-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-118727
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1ccc(O)cc1)C)C(=O)N	PC-id_9061461	388.437	OTUQLAGIACXUSW-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118728
s1c2c(CCC2)c(c1NC(=O)COc1c(cccc1)C(=O)N)C(=O)OCC	PC-id_7278789	388.437	LMVNIQZCWWTDFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118729
s1c2c(CCC2)c(c1NC(=O)COc1ccccc1)C(=O)NC(=O)OCC	PC-id_7521566	388.437	XLCWNFNNAZESRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118730
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)N)C(=O)OCC	PC-id_7931236	388.437	WJTLWCRWWGIEEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118731
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)OCC)C(=O)N	PC-id_38924635	388.437	ZELDYRFQKVHSOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118732
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C(=O)C)C(=O)N	PC-id_38925519	388.437	TUQVRYDMZMSBCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118733
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)COC)C(=O)N	PC-id_30801114	388.437	MIMARPBVWOUURE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118734
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)CO)C)C(=O)N	PC-id_84825685	388.437	UEXDWFCRZFYLEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118735
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(ccc1O)C)C)C(=O)N	PC-id_74616007	388.437	LIFUIFHVQBUKKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118736
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(ccc1OC)C)C(=O)N	PC-id_8213262	388.437	HQYXFSXFPSZHQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118737
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N)cc1)C(=O)OCC	PC-id_7890762	388.437	HBOWUPLSYQRKNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118738
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(COC)ccc1)C(=O)N	PC-id_9064921	388.437	YVMCEBPZOODNHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118739
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(O)c(cc1)C)C)C(=O)N	PC-id_74632253	388.437	HLUGHNUKHXIUQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118740
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(cc1)C)C(=O)N	PC-id_8264786	388.437	UEIYSBWAOLOWKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118741
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(O)cc(cc1)C)C)C(=O)N	PC-id_74602604	388.437	VQSVMTLCAAOOJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118742
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1ccc(O)cc1)C)C(=O)N	PC-id_84919082	388.437	OTUQLAGIACXUSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118743
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(OC)ccc1)C(=O)N	PC-id_7840036	388.437	RNCKYLNXTTYFRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118744
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(OC)cccc1)C(=O)N	PC-id_8885981	388.437	WUSALZYORYUHLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118745
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccc(cc1)OC	PC-id_1123700,CoCoCo_201151,MCULE-3810513533,ZINC22_861763,EMOLS-id_1338225,ChEMBL-DNDi_CHEMBL3759-1359	388.438	LODBTPPQPALKGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118746
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1cccc(OC)c1	MCULE-2964230591,PC-id_17377327,CoCoCo_6832158,EMOLS-id_4066256,ZINC22_17079291,TIMTEC476454	388.438	UHBUUGVXUOFVMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118747
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1ccc(cc1)C	TIMTEC167699,EMOLS-id_4066262,CoCoCo_6832231,MCULE-2237291290,ZINC22_17079293,PC-id_17377362	388.438	GGVBKOBIJGDXJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118748
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1ccccc1C	TIMTEC184995,CoCoCo_6832290,PC-id_17377384,MCULE-9761462527,EMOLS-id_4066260,ZINC22_17079292	388.438	HAEPMCWFHWAGSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118749
c1(NC(=O)COCC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccccc1	ZINC22_17079294,EMOLS-id_4066264,PC-id_17377101,TIMTEC235029,MCULE-4439394608,CoCoCo_6831603	388.438	JECJBUOJQMHFSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118750
COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC2	PC-id_3131593,CoCoCo_201150	388.438	HYKCPILXTVZOCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118751
s1c2CCCc2cc1C(=O)OCC(=O)N1CCN(CC1)C(=O)c1occc1	PC-id_7238923	388.438	MGJALSVEQLEKCI-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-118752
s1c2c(CCC2)c(c1NC(=O)CCOc1ccccc1)C(=O)NC(=O)OC	PC-id_7521452	388.438	KHPYSPVCBGOLJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118753
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1ccccc1)C(=O)N	PC-id_7841381	388.438	SJAHYUGMTPWRTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118754
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(ccc1)C)C(=O)N	PC-id_7853432	388.438	WMYQKUJOVVOSAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118755
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(cccc1)C)C(=O)N	PC-id_8704810	388.438	CSDXFTQGRLNNHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118756
CC(C)(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)F	PC-id_134800287	388.439	OMMQIYUYRWGRBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118757
CCCCNC(=O)Nn1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(cc1)F	PC-id_68441451,SCHEMBL2920969	388.439	RZKMHXRYPQEOBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118758
CCCCNC(=O)Nn1nc(c2c1C(C)(C)NC2)NC(=O)c1cccc(c1)F	PC-id_68441453,SCHEMBL2920973	388.439	NMSHQSZDKURLLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118759
CCC(C(=O)Nc1n[nH]c2c1CN(C2)NC(=O)NCc1ccc(cc1)F)CC	PC-id_10157095,SCHEMBL2919875	388.439	LCUINBZBQMZGFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118760
C(=O)(Oc1ccc(C(=O)Nc2sc3CCCc3c2C#N)cc1)c1ccccc1	MCULE-1495963732,EMOLS-id_327981114	388.439	LEIOLQIGAWTTQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118761
Fc1ccc(CNC(=O)NC(CCC)C(=O)NCc2n3CCCc3nn2)cc1	PC-id_75835893	388.439	MXRJAACVOXYEOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118762
Fc1ccc(CNC(=O)N[C@@H](CCC)C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52375835	388.439	MXRJAACVOXYEOZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118763
Fc1ccc(CNC(=O)N[C@H](CCC)C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52375836	388.439	MXRJAACVOXYEOZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118764
O=C(Nc1ccc(c(c1)F)N1C[C@H](C)O[C@@H](C1)C)NCc1nnc2n1CCC2	GD-id_ZINC48538544	388.439	YARTZGOJSJEMPW-BETUJISGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118765
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1sccn1	PC-id_16947291	388.439	VJIKOPNJEWPZPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118766
CCCCN1C(=O)C(=O)N(C1=O)CCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_24970418,MCULE-4564759554,PC-id_40105309,CoCoCo_4468104	388.441	FHJSFGRZUFMHCK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118767
CCOC(=O)C1CCc2c1nc(s2)NC(=O)Cn1nc(ccc1=O)C1CC1	PC-id_122278593	388.441	WEDVPZSGIAGJRN-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-118768
S1Cc2c(nn(c2NC(=O)C(=O)OCC)CC(=O)NCc2ccccc2)C1	PC-id_44053463	388.441	JMZVCVPNFZHUFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118769
CC(=O)Nc1ccc(/C=c/sc3nnc(/C=Cc4ccccc4)n3c2=O)cc1	PC-id_92530853,ZINC22_17198137	388.442	KBNBLYDQMCBEMG-HJCGTWLWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118770
CC(=O)Nc1ccc(/C=c/2sc3nnc(/C=C/c4ccccc4)n3c2=O)cc1	ZINC22_16957477,NSC637610	388.442	KBNBLYDQMCBEMG-KTYKIUSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118771
CC(=O)Nc1ccc(/C=c/sc3nnc(/C=C/c4ccccc4)n3c2=O)cc1	ZINC22_5663468	388.442	KBNBLYDQMCBEMG-HEMGCLFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118772
CC(=O)Nc1ccc(/C=c/2sc3nnc(/C=Cc4ccccc4)n3c2=O)cc1	ZINC22_5723195,PC-id_92275965	388.442	KBNBLYDQMCBEMG-ISGNFXHLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118773
c1(NC(=O)c2cnccn2)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_28197470,PC-id_44053106,MCULE-7747850581	388.444	IBJBPJBEMBBIIM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118774
O=C(Cn1nc2c(c1NC(=O)c1cnccn1)CSC2)NC[C@@H]1CCCO1	PC-id_51696586,CoCoCo_5277654,ZINC22_35596860	388.444	IBJBPJBEMBBIIM-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-118775
O=C(Cn1nc2c(c1NC(=O)c1cnccn1)CSC2)NC[C@H]1CCCO1	ZINC22_35596861,CoCoCo_5277655,PC-id_51696587	388.444	IBJBPJBEMBBIIM-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118776
c1(C(=O)c2cccc(F)c2)c2CCCc2sc1NC(=O)CN1CCOCC1	ZINC22_20109300,EMOLS-id_6566613,PC-id_1471463,MCULE-8542007100,ASN-05214120	388.456	KLQLRLXLWPHYMU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118777
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2310497887,EMOLS-id_334335658	388.456	CHMYIZVGJHZZLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118778
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2630597808,EMOLS-id_334335395	388.456	XYLBOYIRYKGHKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118779
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334338211,MCULE-5231093807	388.456	FGUAHLPPOICROU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118780
O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)CCC2	ZINC22_9070333,PC-id_16505639,CoCoCo_2840920,MCULE-4498159111,EMOLS-id_13787697	388.456	GTSUOQWOZRSPPA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118781
CCc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)C(=O)O	EMOLS-id_328224370,MCULE-7884850496	388.459	FLCCMOJCTJTPRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118782
Ic1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_38878513	442.271	VERYCLHASUTZFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140036
CCOc1cccc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	EMOLS-id_31548392,PC-id_46861347,MCULE-9319274076	388.459	HVIMDWHTOTYCSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118783
CCOc1cccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364593,PC-id_52340542	388.459	HVIMDWHTOTYCSM-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118784
CCOc1cccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364594,PC-id_52340543	388.459	HVIMDWHTOTYCSM-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118785
CCOC(=O)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328217202,MCULE-5252383603	388.459	QAUSBLVJZPFXPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118786
CCOC(=O)c1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328220787,MCULE-7723099855	388.459	YNNDIJZTKGSHAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118787
CCOC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328219761,MCULE-9515603712	388.459	VUNYSIDUJPUVST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118788
COC(=O)c1ccc(C)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-3229501919,EMOLS-id_328218746	388.459	NLGZXLSBZVTSQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118789
COC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C)c1	EMOLS-id_328217213,MCULE-9626746582	388.459	VYXWQPJKRIEWNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118790
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(c1ccccc1)CC(=O)O	EMOLS-id_328214654,MCULE-7789475194	388.459	UDFRCTZEMOVMRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118791
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(Cc1ccccc1)CC(=O)O	EMOLS-id_328338842,MCULE-8531379340	388.459	GMSHGGKOVRJHCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118792
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(Cc1ccccc1)C(=O)O	EMOLS-id_328216183,MCULE-4207486198	388.459	IUTQMLRTHHZSNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118793
O=C(NCc1c(OCC)cccc1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861346	388.459	VCHRMTCUJKZHIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118794
O=C(NCc1c(OCC)cccc1)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52340540	388.459	VCHRMTCUJKZHIF-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118795
O=C(NCc1c(OCC)cccc1)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52340541	388.459	VCHRMTCUJKZHIF-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-118796
c1(NC(=O)c2noc(c3cccs3)c2)sc2c(CCC2)c1C(=O)OCC	TIMTEC583711,EMOLS-id_13124209,MCULE-8626019903,PC-id_29766482,ZINC22_21786021,CoCoCo_2254793	388.461	YWWRPLZLZOIVSM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118797
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)Cc1cccc(c1)C(=O)O	MCULE-4662050873,PC-id_123109686	388.461	YVNPNIOKYDQNIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118798
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)Cc1ccc(C(=O)O)cc1	PC-id_123106843,MCULE-7012940962	388.461	QQUHALGQMSJWPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118799
CC(=O)Nc1ccccc1OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_90796395	388.461	HEWFWNGXAVOYBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118800
CC(=O)Nc1cc(ccc1)OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_91148201	388.461	MVJVBEKCBXXGNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118801
COc1cc(OC)ccc1CN(N1CCc2c1ncn2C)C(=O)OC(C)(C)C	PC-id_141293299	388.461	XHIREUHCOPRLIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118802
O=C(Nc1nc2c(s1)CCC2)c1ccc(CS(=O)(=O)c2ccccc2)o1	EMOLS-id_12011538,MCULE-8974319322,PC-id_17433490,CoCoCo_4164247,ZINC22_8981774	388.461	AFHWQLJOVGECPE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-118803
s1c2CCCc2c(c1NC(=O)COC(=O)c1c([S@@](=O)C)cccc1)C#N	PC-id_11926906	388.461	AVHJRNCPVBUAOP-SANMLTNESA-N	00000010100000110000000010000000000000000000000000000000	25-01-118804
s1c2CCCc2c(c1NC(=O)COC(=O)c1c([S@](=O)C)cccc1)C#N	PC-id_11926907	388.461	AVHJRNCPVBUAOP-AREMUKBSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118805
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(S(=O)C)cccc1)C#N	PC-id_8408146	388.461	AVHJRNCPVBUAOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118806
s1c2CCCc2c(c1NC(=O)COC(=O)CCC(=O)c1sccc1)C#N	PC-id_7799635	388.461	PMAULYLIGJPQEF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-118807
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)CCC(=O)c1ccccc1	PC-id_91006636	388.462	DYKORQCFTRKGFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118808
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cc3cccc(C)c3)C2)n1	EMOLS-id_316331827,MCULE-8015949232	388.462	HGLMAQCTYZYBOK-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-118809
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccc(cc1C)C	MCULE-5787373678	388.462	ZSFXKWSFCIPMMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118810
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccc(c(C)c1)C	MCULE-7125321005	388.462	MHFMDGAIELZMKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118811
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(cc1C)C	MCULE-1601742343,EMOLS-id_316321590	388.462	ZSFXKWSFCIPMMD-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118812
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(c(C)c1)C	MCULE-1082864078,EMOLS-id_316252662	388.462	MHFMDGAIELZMKN-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-118813
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3ccc(cc3)C)Cc12	EMOLS-id_316254198,MCULE-2669998819	388.462	UZSDHMPMVFUJSN-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-118814
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3ccccc3C)Cc12	MCULE-4402651219,EMOLS-id_316319034	388.462	REKBGOQOYYSJSO-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-118815
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCc3ccccc3)Cc12	MCULE-4007368908,EMOLS-id_316318522	388.462	SKMUTVSCEQMCNN-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-118816
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3ccc(cc3)C)Cc12	MCULE-9261231472	388.462	UZSDHMPMVFUJSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118817
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3ccccc3C)Cc12	MCULE-9846916266	388.462	REKBGOQOYYSJSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118818
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCc3ccccc3)Cc12	MCULE-6197531915	388.462	SKMUTVSCEQMCNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118819
CN(Cc1nnc2n1CCC2)C(=O)CCC(=O)c1ccc(c2ccccc2)cc1	EMOLS-id_11976226,MCULE-7312471903,ZINC22_8938859,CoCoCo_4525773,PC-id_17423115	388.462	VBQYARVUEUMYQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118820
COc1ccccc1/C=C(C(=O)N(Cc1nnc2n1CCC2)C)/c1ccccc1	CoCoCo_4891892	388.462	OKYBADLZONIHSQ-CYVLTUHYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118821
COc1ccccc1C=C(C(=O)N(Cc1nnc2n1CCC2)C)c1ccccc1	MCULE-9060076434,EMOLS-id_44111977,PC-id_72027730	388.462	OKYBADLZONIHSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118822
COc1ccccc1/C=C(/C(=O)N(C)Cc1nnc2n1CCC2)c1ccccc1	PC-id_45891154,CoCoCo_4891891,ZINC22_40105265	388.462	OKYBADLZONIHSQ-XDJHFCHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118823
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(CCC(=O)N)cn1	EMOLS-id_328223099,MCULE-3454570563	388.462	YXLFNBOWGZFNMB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-118824
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1ccccc1	PC-id_10110836,SCHEMBL2922576	388.462	WPOADHQJNFBGEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118825
O=C(CCC(=O)c1ccc(c2ccccc2)cc1)NCCc1nnc2n1CCC2	ZINC22_576895323	388.462	NRHVVIBOPNDOLN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118826
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)CCC(=O)c1ccccc1	SCHEMBL2917422,PC-id_68440307	388.462	GKPPJHWMRALLMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118827
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)CCC(=O)c1ccccc1	SCHEMBL2917424,PC-id_68440308	388.462	JVXPQDCCLAVDHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118828
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)C1CC1)c1n[nH]c2c1CCC2	MCULE-8994236331,ZINC22_1775982447,PC-id_138809617,EMOLS-id_317867234	388.462	LNYRUXSJSYMMEQ-VXGBXAGGSA-N	00100010100000000001000010000000000000000000000000000000	25-01-118829
s1c2CCCc2c(c1NC(=O)C[n+]1ccc(cc1)C(=O)c1ccccc1)C#N	PC-id_8858246	388.462	ZWMZVXWVQDBURP-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-118830
c12c(CCC1C(=O)OCC)sc(NC(=O)c1cc([nH]n1)c1cccs1)n2	PC-id_45504225,MCULE-3076346294,EMOLS-id_29780290	388.464	ZUPATEXDMVVYOH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118831
c1(NC(=O)c2cccs2)c2CSCc2nn1CC(=O)NCc1ccco1	CoCoCo_5277702,ZINC22_23139325,MCULE-4881731656,PC-id_30862595,EMOLS-id_24913431	388.464	UZMNOFIWFAMUHF-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-118832
c1(NC(=O)c2snnc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_16453723,TIMTEC370505,MCULE-9080565148,CoCoCo_2249810,ZINC22_9250882,EMOLS-id_2647591	388.464	OZAKNEGEDUHZBP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-118833
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)CC(=O)Nc1ncccc1	EMOLS-id_186645003,MCULE-9542371870	388.464	XGGKPVCRRHKZEB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-118834
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1cccs1	PC-id_141251765	388.464	RRKWYMNCAFMXRR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118835
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1cscc1	PC-id_141251738	388.464	XDTAZMFUFCAOJD-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118836
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)c1cccs1	SCHEMBL2926174,PC-id_68443540	388.464	OSPYKELTSXAJHJ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118837
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)c1cscc1	SCHEMBL2919834,PC-id_68441082	388.464	TXGNBHWUNBIZLC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118838
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)c1cccs1)CNC2	SCHEMBL2924162,PC-id_68442708	388.464	VFFDWRZULMSLBZ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118839
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)c1ccsc1)CNC2	PC-id_68441080,SCHEMBL2919830	388.464	FWQHZKGSANQCAP-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118840
CCNC(=NCc1cc(OC)c(c(c1)OC)OC)NCc1nnc2n1CCC2	PC-id_111020317	388.464	PDCMWRLTKMYOIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118841
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cc(c4cccs4)[nH]n3)nc12	CoCoCo_5285329,PC-id_51868464,ZINC22_36709893,CoCoCo_5285327	388.464	ZUPATEXDMVVYOH-VIFPVBQESA-N	00000010100100000001100010000000000000000000000000000000	25-01-118842
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387730,MCULE-5456136917	388.481	WDLQFFFKJFWNTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118863
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cc(c4cccs4)[nH]n3)nc12	PC-id_51868463,CoCoCo_5285330,CoCoCo_5285328,ZINC22_36709891	388.464	ZUPATEXDMVVYOH-SECBINFHSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118843
n12ncnc1sc(=CNc1ccc(cc1)C(=O)OCC[NH+](CC)CC)c2=O	MCULE-8064060089	388.464	RJTCAUYBXIRFCQ-UHFFFAOYSA-O	00000000100000110001000010000000000000000000000000000000	25-01-118844
O=C(c1cccs1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2924165,PC-id_68442709	388.464	YKYJOOBBXMPHSP-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118845
O=C(c1cccs1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68441246,SCHEMBL2920335	388.464	UBDXTHCZFCMYRE-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118846
O=C(c1ccsc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68441083,SCHEMBL2919837	388.464	PUXRCUPLLGMHLV-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118847
O=C(c1cscc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68439601,SCHEMBL2915411	388.464	YONSWUHGIVAEIL-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-118848
O=C(C(n1nc(ccc1=O)c1cccs1)(C)C)Nc1onc2c1CSC2	PC-id_121076928	388.464	SUIWAKSREAMENZ-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-118849
s1c2CCCc2c(c1NC(=O)COC(=O)c1nc(sc1)NCC=C)C#N	PC-id_16519329	388.464	SEDZKKSDHREMKE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-118850
s1c2CCC(c2nc1NC(=O)c1nc(sc1)n1cccc1)C(=O)OCC	PC-id_49717623	388.464	QBKFMHJSIGNHQB-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-118851
c12SCCn1cc(CNC(=O)CCSc1nnc(c3ccncc3)o1)n2	MCULE-8930463552,ZINC22_828029708,EMOLS-id_232863436	388.467	VZZNSYWNHWESNV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-118852
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1(c2ccc(cc2)F)CCC1	MCULE-3028996968	388.477	NVLCHZWGECFDDP-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-118853
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1	PC-id_9405064	388.479	AOQAJFYEIJATBP-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118854
s1c2c(CCC2)cc1C(=O)N1CC[NH+](CC1)CC(=O)Nc1cc(F)ccc1	PC-id_9225274	388.479	RQBMYLDDBGTARQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118855
s1c2c(CCC2)c(c1NC(=O)CC[NH+](CCOc1ccc(F)cc1)C)C#N	PC-id_32209003	388.479	IAYAGLJNROHYFV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118856
s1c2c(CCC2)c(c1NC(=O)C[NH+](C1CC1)Cc1ccc(F)cc1)C(=O)N	PC-id_8905253	388.479	PTJRXFZFLVPEPL-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-118857
s1c2c(CCC2)c(c1NC(=O)C[NH+](C1CC1)Cc1c(F)cccc1)C(=O)N	PC-id_8977945	388.479	GEWUBEMLBZCILP-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-118858
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(F)c(OC)cc1)CC)C#N	PC-id_9349271	388.479	GAIAWKMDUPHHSK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118859
s1c2c(c(C(=O)N3CC[NH+](CC3)C)c1NC(=O)c1c(F)cccc1)CCC2	PC-id_7270550	388.479	ONFHLCKGRLMTEV-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-118860
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385949,MCULE-2813394438	388.481	PRGMILBMEHUHQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118861
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9664506282,EMOLS-id_334387985	388.481	XGWOUWOYHJSTGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118862
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)N	PC-id_19221784,MCULE-3124993849	388.481	RPPYUWKVEKTGOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118864
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330586,MCULE-2024412865	388.481	QGMNLDSZJYVSCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118865
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8165276159,EMOLS-id_334387738	388.481	UFFJGROKUMRSPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118866
c1(sc2c(CCC2)c1C(=O)OCC)NC(=O)N(CCO)Cc1ccccc1	EMOLS-id_4735146,PC-id_8030607,CoCoCo_1094870,STOCK6S-06978,ZINC22_6662217,MCULE-9131053726	388.481	BQMVMHUMFJDCBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118867
COCCNc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	PC-id_139393988,SCHEMBL21250159	388.481	IOYITHQALFKCSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118868
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1noc(c1)C	PC-id_55384563	388.481	QFFDDVGGXKLCDP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118869
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1onc(c1)C	PC-id_24523679	388.481	QAJHOXNTJLPPIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118870
s1c2c(CCC2)c(c1NC(=O)CNc1c(cc(OC)cc1)C)C(=O)OCC	PC-id_60225252	388.481	IDEPUZQGOXBDIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118871
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(OCC)cc1)C(=O)OCC	PC-id_55362390	388.481	GJUJOAJFIVQNKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118872
s1c2c(CCC2)c(c1NC(=O)CNc1c(OC)ccc(c1)C)C(=O)OCC	PC-id_9099972	388.481	DDZBJYGFXITJCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118873
s1c2c(CCC2)c(c1NC(=O)CNc1c(OCC)cccc1)C(=O)OCC	PC-id_9102202	388.481	UZTGTHTVECIZQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118874
c1(NC(=O)C=Cc2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-5355852696	388.482	DWDCZQYPUDNLQT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-118875
c1(NC(=O)C(=Cc2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_3626478,MCULE-3856099323	388.482	HOKIGSODNJRYMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118876
CCOc1ccc(cc1)/C=c/1sc(=Nc2ccc(cc2)C(=O)C)n2c1ccc2	PC-id_141474093	388.482	MWVYJIVZKGGBFD-DYPCUBFTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118877
NC(=O)c1c(NC(=O)/C(=C/c2ccccc2)/c2ccccc2)sc2c1CCC2	CoCoCo_6597020,EMOLS-id_25983223,TIMTEC197564,ZINC22_1000872,PC-id_1224545,TIMTEC197563	388.482	HOKIGSODNJRYMC-NBVRZTHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118878
NC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)c2ccccc2)sc2CCCc12	PC-id_84418176,EMOLS-id_181348482	388.482	DWDCZQYPUDNLQT-SDNWHVSQSA-N	00000010100000110000100010000000000000000000000000000000	25-01-118879
O=C(/C(=Cc1ccccc1)/c1ccccc1)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_6597021	388.482	HOKIGSODNJRYMC-JXAWBTAJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118880
c1(c2CCCc2n[nH]1)C(=O)N1CCCC1c1ccc(C(=O)NCCOC)s1	MCULE-5658330100,EMOLS-id_23831281,PC-id_45239035	388.484	XTNWMOFXSYFWHU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118881
c1(N(C)C)ncc(CCC(=O)Nc2sc3CCCc3c2C(=O)OCC)cn1	EMOLS-id_328078307,MCULE-5288611453	388.484	IHOIUQAKOPMAAP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118882
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1CC(=O)NCCOC	EMOLS-id_44394028,MCULE-4244000921,PC-id_44052986,ZINC22_90557750	388.484	UAHOOLPXHDJEKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118883
c1(NC(=O)CCc2ccccc2)c2CSCc2nn1CC(=O)NCCOC	CoCoCo_5277599,EMOLS-id_24913323,MCULE-6286884772,ZINC22_23139031,PC-id_30862341	388.484	MJNANSRSNGFEMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118884
c1(NC(=O)C(=O)NCc2ccc(cc2)OC)c2CSCc2nn1C(C)(C)C	CoCoCo_5184705,PC-id_7685527,MCULE-8185827994,ZINC22_5438221,EMOLS-id_5617896	388.484	XYGMPAMNZBRMTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118885
c1(NC(=O)C(=O)NCc2ccccc2OC)c2CSCc2nn1C(C)(C)C	ZINC22_5438226,MCULE-7494101826,PC-id_7685531,CoCoCo_5184706,EMOLS-id_5617898	388.484	MVLKTIRBZAPRTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118886
c1(NC(=O)C(=O)NCc2cccc(OC)c2)c2CSCc2nn1C(C)(C)C	CoCoCo_5184722,EMOLS-id_5617926,MCULE-4018809560,PC-id_7685555,ZINC22_5438305	388.484	OVKXSDBLEANVSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118887
Cc1cccc(c1)C(=O)N1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199133	388.484	XQYOLFMEQCSWSV-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-118888
Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)c1n[nH]c2c1CCC2	EMOLS-id_98317134	388.484	VKLFCWDFWHGZIG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118889
Cc1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_110529341	388.484	WRJOZENPEAMTLL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118890
Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCCC1C(=O)N1CCn2c1ccn2	EMOLS-id_177277098,MCULE-7782636517	388.484	CDHAENYQZINODX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118891
CC1CCCCN1C(=O)c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970842	388.484	AMPPMMWQSGHNBK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118892
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCn3nccc23)c(C)c1	ZINC22_367499406	388.484	CDHAENYQZINODX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118893
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCn3nccc23)c(C)c1	ZINC22_367499407	388.484	CDHAENYQZINODX-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118894
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCn4nccc34)CC2)c(C)c1	MCULE-5495500464,ZINC22_585081569,EMOLS-id_177249378	388.484	PTIQMABZAWVTCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118895
CC1CCN(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100962210	388.484	VILSHKVCKMGVTP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118896
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1cnn2c1CCC2	ZINC22_571732469	388.484	KXVNYGMORFMHPP-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118897
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1cnn2c1CCC2	ZINC22_571732470	388.484	KXVNYGMORFMHPP-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118898
CC(N(C(=O)c1cnn2c1CCC2)C)c1cccc(c1)N1CCCS1(=O)=O	EMOLS-id_316152870,MCULE-1430203349	388.484	KXVNYGMORFMHPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118899
CC(N(C(=O)c1n[nH]c2c1CCC2)C)c1ccc(cc1)N1CCCS1(=O)=O	EMOLS-id_100490634	388.484	MEOGLCQZALDIBI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-118900
Cn1nc2c(c1CNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CCC2	MCULE-5885711366,EMOLS-id_53884599,PC-id_91819364,ZINC22_225817249	388.484	IFGJRAJSGDFDDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118901
COCCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2[nH]nc3c2CCC3)s1	CoCoCo_1561011,CoCoCo_1561013,ZINC22_20406511,PC-id_28922226	388.484	XTNWMOFXSYFWHU-AWEZNQCLSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118902
Brc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_61392285	389.311	RYWCYGUIYOFNBZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119102
COCCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2[nH]nc3c2CCC3)s1	PC-id_28922227,CoCoCo_1561010,CoCoCo_1561012,ZINC22_20406513	388.484	XTNWMOFXSYFWHU-CQSZACIVSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118903
O=C(c1cccc(c1)CN1CCS(=O)(=O)CC1)Nc1n(C)nc2c1CCC2	EMOLS-id_97940183	388.484	YNFLGFVFVCSHJS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118904
O=C(c1ccc(c(c1)C)NS(=O)(=O)c1cnc2n1CCC2)NC1CCCC1	EMOLS-id_100969132	388.484	RHCHAFLPMOLMCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118905
O=C(C1CCCCC1)Nc1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100970851	388.484	FDIIROGHRZBJBH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118906
O=C(c1ccc(cc1)NS(=O)(=O)c1cnc2n1CCC2)N1CCCCCC1	EMOLS-id_100970788	388.484	STLNEKYKKUVJGZ-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-118907
O=C(C1CCCN(C1)S(=O)(=O)Cc1ccccc1)Nc1nn2c(c1)CCC2	MCULE-9396621530,PC-id_146105908,EMOLS-id_324063599	388.484	LJOCVQOUBFQTDL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118908
O=C(c1n[nH]c2c1CCC2)NCc1ccccc1S(=O)(=O)N1CCCCC1	EMOLS-id_98175625	388.484	IOVLSDCFDBBHSZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118909
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N=c1cc2n([nH]1)CCC2	ZINC22_1875274565,EMOLS-id_324064879,MCULE-7858295514,PC-id_146077365	388.484	JJSFHSHITYZVMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118910
O=C([C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1)Nc1n(C)nc2c1CCC2	CoCoCo_5273057,PC-id_30859202	388.484	LOQZWFVRCJMHQO-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118911
O=C([C@H]1CCCN(C1)S(=O)(=O)c1ccccc1)Nc1n(C)nc2c1CCC2	CoCoCo_5273058,PC-id_30859204	388.484	LOQZWFVRCJMHQO-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118912
O=C(N1CCC(CC1)Oc1cc(C)n(c(=O)c1)C)Cn1ncc2c1CSC2	PC-id_92081057	388.484	QXWNDLWSAZOOQW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-118913
O=C(N=c1cc2n([nH]1)CCC2)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1	ZINC22_1875274594	388.484	LJOCVQOUBFQTDL-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118914
O=C(N=c1cc2n([nH]1)CCC2)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1	ZINC22_1875274595	388.484	LJOCVQOUBFQTDL-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118915
O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1n[nH]c2CCCc12	MCULE-2345658440,EMOLS-id_323257019	388.484	XIPVFWXPQHZZKY-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-118916
O=C(NC(Cc1ccccc1)CCC(=O)O)NCCc1cn2c(n1)SCC2	PC-id_122011376	388.484	WMWYHEFQRHWGLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118917
S1Cc2c(NC(=O)C3CCCCC3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053255	388.484	GYLCXNCIHARFHL-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-118918
S1Cc2c(NC(=O)CC3CCCC3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053257	388.484	LVJAICNMXUYNQD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-118919
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)C(C)C	PC-id_44053511	388.484	KKFKRYHKAVKBJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118920
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C)C)CC(=O)NCCOC)C1	PC-id_44052985	388.484	DKZNSSAWABAMON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118921
S1Cc2c(nn(c2NC(=O)c2ccc(OCC)cc2)CC(=O)NCCC)C1	PC-id_44052878	388.484	LJGPVTFIRCWCBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118922
S1Cc2c(nn(c2NC(=O)c2c(OCC)cccc2)CC(=O)NCCC)C1	PC-id_44052877	388.484	BYYBRBIDUDUGRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118923
S1Cc2c(nn(c2NC(=O)Cc2cc(ccc2)C)CC(=O)NCCOC)C1	PC-id_44053029	388.484	OQNREUCLRVXRMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118924
S1Cc2c(nn(c2NC(=O)Cc2ccc(OC)cc2)CC(=O)NCCC)C1	PC-id_44052914	388.484	PDQZPMPBBUAMFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118925
S1Cc2c(nn(c2NC(=O)CCC)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053510	388.484	ZIIJQKGRVCUJAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118926
S1Cc2c(nn(c2NC(=O)C(Oc2ccccc2)C)CC(=O)NCCC)C1	PC-id_44052907	388.484	GPNGVCKLZROADF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118927
S1Cc2c(nn(c2NC(=O)COc2c(cccc2)C)CC(=O)NCCC)C1	PC-id_44052910	388.484	OMBYNTYIQQHTBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118928
S1Cc2c(nn(c2NC(=O)COc2cc(ccc2)C)CC(=O)NCCC)C1	PC-id_44052911	388.484	CKVQCYNNMGSLJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118929
S1Cc2c(nn(c2NC(=O)COc2ccc(cc2)C)CC(=O)NCCC)C1	PC-id_44052912	388.484	XJKJUKDBRWSWCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118930
S1Cc2c(nn(c2NC(=O)COCC)CC(=O)NCCc2ccccc2)C1	PC-id_44053812	388.484	BVCXUYLVZIAEJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118931
S(=O)(=O)(N1CCCCC1)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536276	388.484	CTTRIPUXXYOFQK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118932
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1n(nc2c1CCC2)C)c1ccccc1	PC-id_44062370	388.484	LOQZWFVRCJMHQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-118933
Cc1ccc(/C=C/c2nc3s/c(=C/c4ccc(N(C)C)cc4)/c(=O)n3n2)cc1	EMOLS-id_45907296,ZINC22_39835410	388.485	YTZXFUWDAXLAPN-NIEGGPFSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118934
CN(C)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324916237	388.485	YTZXFUWDAXLAPN-ANMLQGLPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118935
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)C=Cc1ccc(cc1)C	MCULE-2699132109	388.485	YTZXFUWDAXLAPN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-118936
COc1ccc(S(=O)(=O)NC(=O)NCCc2cn3c(n2)SCC3)s1	ZINC22_1875331391	388.486	YDNAISNELXOJRE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-118937
Cn1cc([C@H]2CN(C(=O)Nc3nc4c(s3)CCC4(C)C)C[C@@H]2C(=N)O)cn1	MCULE-2380144335,EMOLS-id_102008997,ZINC22_333510335	388.487	JAJQLFSKYIGVQJ-NEPJUHHUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-118938
O=C(NC1CCCN(C1=O)c1ccn(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003621	388.487	SXLAUUSWRXZWLD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-118939
O=C(NC1CCN(C1=O)c1cc(nn1C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003633	388.487	BKZAJNRJLJAICD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-118940
s1c2CCCc2c(c1NC(=O)CSc1oc(nn1)c1sccc1)C#N	PC-id_7981730	388.487	QRYIUTPYHLFVPW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-118941
c1ccc(Cc2nc(=Nc3ccc(Cc4nnc5n4CCC5)cc3)s[nH]2)cc1	ZINC22_1875337073	388.489	RSVGYUABUKYMGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118942
c1(C(=O)N(CCC)CCC)c2CCCc2sc1NC(=O)c1ccccc1F	Chemmine_6766,CoCoCo_700346,PC-id_1367222,EMOLS-id_2105555,ChEMBL-DNDi_CHEMBL4488-1599,ZINC22_1212684,MCULE-4749666179	388.499	YVPONGRILAVJPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118943
CC(CCNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(O)cc1	EMOLS-id_328213627,MCULE-6306659857	388.502	PPVMFQSOVRDZGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118944
CCCCOc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9529766005,EMOLS-id_328223602	388.502	NIKAJGIAGGPIOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118945
CC(C)COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328223347,MCULE-3979462487	388.502	ASZVKJBLZOPMRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118946
CCCCOc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-2612352619,EMOLS-id_328217721	388.502	SDOOVYHKGYUWLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118947
COCCS(=O)(=O)N1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956518	388.502	BGVIVRPSVVDLHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118948
O=C(C1CCn2c1ccc2C(=O)C1=CCCC=C1)N(CCCc1ccccc1)C	PC-id_144237463	388.502	BFWVNZMCOKULGQ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-118949
c1(NC(=O)c2ccccc2S(=O)(=O)CC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_322824481,MCULE-3921557540	388.504	OMHDRTQURSAXPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118950
c1(NC(=O)c2ccc(cc2)S(=O)(=O)CC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_322835127,MCULE-9269977674	388.504	DKJOCOVMPVUZDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118951
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)C(C)C)sc2CCCc2c1C#N	EMOLS-id_54863468,MCULE-1315835404,ZINC22_12070140,PC-id_16837949	388.504	URSAPXWTVALPIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118952
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	ZINC22_10218523,ChEMBL-DNDi_CHEMBLF2814-0987,PC-id_18585806,EMOLS-id_5624326,MCULE-4403585181,CoCoCo_5189655	388.504	KMLVFKFKBCYMAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118953
c1(NC(=O)CCCS(=O)(=O)Cc2ccccc2)sc2c(CCC2)c1C#N	ZINC22_10687009,EMOLS-id_30140111,MCULE-3684795577,PC-id_41611713	388.504	RLLWRQHOIBMWPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118954
c1(NC(=S)NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	ChemDIV1683-3390,PC-id_1180764,TIMTEC90302,STOCK1S-71432,MCULE-1960013880,ZINC22_939403,CoCoCo_1674045,EMOLS-id_1853270	388.504	BYISKKNRZGXZIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118955
c1(NC(=S)NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)OCC	MCULE-1747058359,PC-id_19166977	388.504	PMNUDMSEPWEFBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118956
c1(NC(=S)NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_657561,ZINC22_1749989,EMOLS-id_1853274,MCULE-1844891703,PC-id_1556060	388.504	NXCAGETVILLDEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118957
c1(NC(=S)NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1671356,PC-id_1325477,MCULE-3857704532,ZINC22_1155978,CoCoCo_855753	388.504	TWSTXPFQFPUMTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118958
c1(NC(=S)NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-8013160964,PC-id_19187881	388.504	NZEMTDWWKJRWTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118959
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)CCCOc1ccccc1	EMOLS-id_186626602,MCULE-5267073982	388.504	HGYCZDHKILYLBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118960
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)CCOc1cccc(C)c1	EMOLS-id_186622027,MCULE-6150815588	388.504	YOCKVCNOYUTNEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118961
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)CCOc1ccc(C)cc1	MCULE-3046538084,EMOLS-id_186622948	388.504	SISHZTPTQZVUCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118962
COc1cccc(c1)C[N@H+]([C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	PC-id_40745575,GD-id_ZINC08492741	388.504	VQGHHTPUBOKINP-GFCCVEGCSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118963
O1CC[NH+](C[C@@H](O)COc2cc(C[NH2+]Cc3n[nH]c4c3CCC4)ccc2)CC1	PC-id_42517885	388.504	STINKVKFCFBDFR-QGZVFWFLSA-P	00000010100010110001000010000000000000000000000000000000	25-01-118964
O1CC[NH+](C[C@H](O)COc2cc(C[NH2+]Cc3n[nH]c4c3CCC4)ccc2)CC1	PC-id_42517887	388.504	STINKVKFCFBDFR-KRWDZBQOSA-P	00000010100010110001000010000000000000000000000000000000	25-01-118965
O1CC[NH+](CC(O)COc2cc(C[NH2+]Cc3n[nH]c4c3CCC4)ccc2)CC1	PC-id_74810723	388.504	STINKVKFCFBDFR-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-118966
O=C(c1cnc(s1)C1CCCO1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101168463	388.504	DKISZWUQSWNEQQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-118967
O=C(c1csc(n1)C1CCCO1)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101170386	388.504	HUTRGLZFYRFIIO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-118968
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccc(OC)cc1)C)C)C(=O)N	PC-id_26450121	388.504	LKVWACSVTRWLFH-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118969
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccc(OC)cc1)C)C)C(=O)N	PC-id_26450123	388.504	LKVWACSVTRWLFH-GFCCVEGCSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118970
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1cc(OC)ccc1)C)C)C(=O)N	PC-id_40745573	388.504	VQGHHTPUBOKINP-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118971
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(OC)cccc1)C)C)C(=O)N	PC-id_26300416	388.504	JEEQYDDFDZKHIE-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118972
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(OC)cccc1)C)C)C(=O)N	PC-id_26300418	388.504	JEEQYDDFDZKHIE-GFCCVEGCSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118973
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](CCOc1ccccc1)C)C)C(=O)N	PC-id_26299102	388.504	LKGNDQRUQIGNGD-CYBMUJFWSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118974
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](CCOc1ccccc1)C)C)C(=O)N	PC-id_26299104	388.504	LKGNDQRUQIGNGD-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118975
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1ccc(OC)cc1)C)C)C(=O)N	PC-id_85455548	388.504	LKVWACSVTRWLFH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118976
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(OCC)cc1)C)C(=O)N	PC-id_8799610	388.504	RACNXAUTKOMBMG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118977
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1cc(OC)ccc1)C)C)C(=O)N	PC-id_74713244	388.504	VQGHHTPUBOKINP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118978
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(OC)cccc1)C)C)C(=O)N	PC-id_74494861	388.504	JEEQYDDFDZKHIE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118979
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(OC)ccc(c1)C)C)C(=O)N	PC-id_8805426	388.504	ZBVWSZCKOAMJOZ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118980
s1c2c(CCC2)c(c1NC(=O)C[NH+](C)C)C(=O)Nc1ccc(OCC)cc1	PC-id_7381386	388.504	REVYEPMHRTZSMJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118981
s1c2c(CCC2)c(c1NC(=O)C([NH+](CCOc1ccccc1)C)C)C(=O)N	PC-id_74494827	388.504	LKGNDQRUQIGNGD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118982
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc(c(CCC)c1)C)C#N	PC-id_7683606	388.504	LHWHNCXXQZRETH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-118983
s1c2c(CCC2)c(c1NC(=S)NC(=O)Cc1c(cccc1)C)C(=O)OC	PC-id_26163776	388.504	CMDCQGYPMFTFKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-118984
CC(c1ccccc1)N1Cc2c(C1)n[nH]c2NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_68439882,SCHEMBL2916234	388.505	PKOOMHGTWFTVSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118985
CC(C)(C)c1ccc(cc1)C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_91045956	388.505	ONTIBSZHNYRLQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118986
O=C(c1ccc(cc1)C(C)(C)C)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2916237,PC-id_68439883	388.505	LHECHEOTTVAEDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-118987
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)n1cccc1	PC-id_92109676	388.505	BOQYSGKLKJECDJ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-118988
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)S(=O)(=O)N1CCCC1	EMOLS-id_97757688	388.505	WKNCEKLJUYRIFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118989
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1)C#N	PC-id_40642285	388.505	XSWWRHBLFCGDGW-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-118990
CCCCc1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCC2)C#N	PC-id_136685284	388.507	DLMZRPOZGPYKFH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118991
CCn1c(c(c(=O)n(c1=S)CC)/C(=N/c1c(c2c(s1)CCC2)C#N)/C)O	PC-id_135445124	388.507	ZDAKALZMNPFQDV-KEBDBYFISA-N	00000010100000100001000010000000000000000000000000000000	25-01-118992
CCn1c(c(c(=O)n(c1=S)CC)C(=Nc1c(c2c(s1)CCC2)C#N)C)O	PC-id_136837113	388.507	ZDAKALZMNPFQDV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-118993
CCN1C(=O)C(=C(C)Nc2sc3c(c2C#N)CCC3)C(=O)N(CC)C1=S	CoCoCo_4107056,EMOLS-id_3504873,PC-id_8003214,CoCoCo_4107055,ZINC22_6585542,MCULE-1921239017	388.507	QYKRUIRUZUGZQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118994
CN1CCN(CC1)C(=O)CN1CCC(CC1)N(C(=O)c1n[nH]c2c1CCC2)C	EMOLS-id_98705700	388.507	MWBLZTQUEAOTID-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118995
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1ccc(cc1)C1CCCCC1	EMOLS-id_102155746	388.507	IUTOGWVJFZIIEW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-118996
O=C(CN1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C)NC1CCCCC1	EMOLS-id_101414242	388.507	YUWOLPUAOZOSLQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118997
O=C(N1CCN(CC1)CC(=O)N1CCCCC1C)NC1CC(n2c1ncc2)C	EMOLS-id_101435172	388.507	HBEWSGYPUVRRHN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-118998
O=C(N1CCN(CC1)CC(=O)N1CCCCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101435133	388.507	CQISILMWWAQLQW-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-118999
O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101580990	388.507	MYAOGXFTVWPIDZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119000
s1c2CCCc2c(c1NC(=O)CSc1oc(nn1)C1CCCCC1)C#N	PC-id_7957418	388.507	ARUFBWOSORXOPC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119001
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)c1ccccc1	PC-id_111020449	388.509	UGDMEVBGTFGBEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119002
CN=C(NCc1nnc2n1CCC2)NCC(c1ccccc1)Cc1ccccc1	PC-id_109389197	388.509	ZGJQEPVYNMZKKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119003
CN=C(NCc1nnc2n1CCC2)NCCC(c1ccccc1)c1ccccc1	PC-id_111020279	388.509	GCNPRHMRRHFNEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119004
c1(nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N)C1CCCC1	EMOLS-id_335746216,MCULE-4691956364	388.51	UZNZQDKOPDIXBZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-119005
CN=C(N1CCN(CC1)C(C(=O)N1CCCC1)C)NCc1nnc2n1CCC2	PC-id_109645127	388.51	LJNBCAVQOHYNCW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119006
N#Cc1c(NC(=O)CSc2nnnn2C2CCCCC2)sc2c1CCC2	EMOLS-id_11777925,MCULE-8514529741,CoCoCo_4309027,PC-id_9451056,ZINC22_8325648	388.51	DYLQNUONGAMBNA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119007
s1c2c(c(C[NH+]3CCN(CC3)CC)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_30331957	388.522	YXQIFCNSTZPGKB-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-119008
CC1CCN(CC1)C(CNC(=O)c1c(c2c(s1)CCC2)OC)c1ccco1	PC-id_91956525	388.524	UQJUOLNKGQWXOL-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-119009
CC(C(=O)N1CCC(CC1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)C	EMOLS-id_101170347	388.524	OLLFXERWXBPLQJ-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-119010
Cc1ccc(s1)CN(C(=O)c1n[nH]c2c1CCC2)CCCN1CCOCC1	ASN-20331463	388.527	SQZLWBYSRLFMIY-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-119011
CCc1ccc(S(=O)(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)cc1	PC-id_97519229,ZINC22_96259140	388.527	CTYBRBADVMUVLC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119012
CC(C)CC(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	MCULE-3070804941,PC-id_24664314,ZINC22_12779427,EMOLS-id_18835792,CoCoCo_4681676	388.527	VGKJRTHOWHGOSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119013
N#Cc1c(NC(=O)C(N2CCC(C2)CN2CCOCC2)C)sc2c1CCC2	EMOLS-id_99652425	388.527	YVODMUVLFRQTGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119014
N#Cc1c(NC(=O)C(N2CCN(CC2)C2CCOCC2)C)sc2c1CCC2	EMOLS-id_100264274	388.527	ZQXBOCXMCUAAKY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119015
N#Cc1c(NC(=O)C(N2CCN(CC2)CC2CCOC2)C)sc2c1CCC2	EMOLS-id_100620728	388.527	UGZXWOATKWQBOC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119016
O=C(C1CSCN1S(=O)(=O)c1cnc2n1CCC2)N1CCSCC1	EMOLS-id_100199136	388.529	BXZOGYBIUYKHIG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119017
O=C(NC(c1nnc2n1CCC2)C)NCC1CCCN(C1)Cc1cccs1	EMOLS-id_98766488	388.53	CEXYCXQLTJTXGV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-119018
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1sccn1)C#N	PC-id_51487887	388.53	QHLOGQOKHBZCRV-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-119019
O=C(N1Cc2c(C1)n(nc2N)COCC[Si](C)(C)C)OCc1ccccc1	SCHEMBL12747686,PC-id_58201389	388.536	XLCSKASNAHQWKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119020
c1(NC(=S)Nc2ccc(cc2)C(C)CC)sc2c(CCC2)c1C(=O)OC	TIMTEC354306,MCULE-7627495042,PC-id_3300690,EMOLS-id_4066681	388.547	OGXMCAAAWQRISR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119021
c1(NC(=S)Nc2ccc(cc2)CCCC)sc2c(CCC2)c1C(=O)OC	ZINC22_5946373,PC-id_3301606,CoCoCo_6800623,TIMTEC37417,MCULE-3021289630,EMOLS-id_4066659	388.547	AGJVQPHBVXGPCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119022
CC[C@@H](C)c1ccc(NC(=S)Nc2sc3c(c2C(=O)OC)CCC3)cc1	PC-id_40573549,ZINC22_5949806,CoCoCo_6800617	388.547	OGXMCAAAWQRISR-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119023
CC[C@H](C)c1ccc(NC(=S)Nc2sc3c(c2C(=O)OC)CCC3)cc1	ZINC22_5949845,CoCoCo_6800616,PC-id_40573563	388.547	OGXMCAAAWQRISR-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119024
O=C(CN(C(=O)c1sc2c(c1)CCC2)C1CCCC1)NCc1cccs1	PC-id_644479,CHEMBL1507911,ChEMBL-DNDi_CHEMBL1507911	388.547	OGAQJPSWOZXUGT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119025
s1c2c(CCC2)c(c1NC(=O)CSc1c(c(cc(c1C)C)C)C)C(=O)N	PC-id_7468505	388.547	DYLTUFCYPNCUPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119026
s1c2c(CCC2)c(c1NC(=S)Nc1c(CC)cccc1CC)C(=O)OC	PC-id_20410650	388.547	XBGBBQUPHJUUJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119027
s1c2c(CCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C)C(=O)OC	PC-id_20415675	388.547	YEEJLWOKMWZMQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119028
s1c2c(CCC2)c(c1NC(=S)Nc1c(CCCC)cccc1)C(=O)OC	PC-id_20412833	388.547	KMEYSQJBZPAAHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119029
s1c2c(CCC2)c(c1NC(=S)Nc1c(C(CC)C)cccc1)C(=O)OC	PC-id_20412920	388.547	MNSPWZUIKGSUFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119030
s1c2c(CCC2)c(c1NC(=S)Nc1c(C(C)(C)C)cccc1)C(=O)OC	PC-id_20412991	388.547	RMJPZSSBIFHLNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119031
s1c2c(CCC2)c(c1NC(=S)NC(c1cc(c(cc1)C)C)C)C(=O)OC	PC-id_19675028	388.547	VJGIXYAMOJANHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119032
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(cc1)CC)C)C(=O)OC	PC-id_19675115	388.547	PTKALWWBBKKQED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119033
s1c2c(CCC2)c(c1NC(=S)NC(c1c(ccc(c1)C)C)C)C(=O)OC	PC-id_19675199	388.547	GXLZOVRPSJIOPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119034
s1c2c(CCC2)c(c1NC(=S)NC(c1c(cc(cc1)C)C)C)C(=O)OC	PC-id_19675276	388.547	MOVWBCDIJRZINS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119035
s1c2c(CCC2)c(c1NC(=S)NC(CCc1ccccc1)C)C(=O)OC	PC-id_19651870	388.547	HOBSHVJRJFWMBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119036
s1c2c(CCC2)c(c1NC(=S)NC(CC)c1ccc(cc1)C)C(=O)OC	PC-id_19675440	388.547	PRTNCNLWBUMUBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119037
s1c2c(CCC2)c(c1NC(=S)NCCCCc1ccccc1)C(=O)OC	PC-id_19650197	388.547	KLPJJCNCKQNLII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119038
Brc1ccc(c(c1)Cl)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_68549140,SCHEMBL3205197	388.601	AWKHORQSCOYBQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119039
Brc1c(Cl)cc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL3195899,PC-id_68545583	388.601	JLWUIAVOXWYGRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119040
CC(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324910094	388.699	IPEBAINIWNCCKL-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119041
n12c(=O)c(=Cc3ccc(cc3)C(C)C)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-6047416362	388.699	IPEBAINIWNCCKL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119042
CCNC(c1ccc(c(c1F)Cl)Br)c1sc2c(c1)CCC2	PC-id_106764437	388.725	DIWHNTAOBXCIPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119043
CCNC(c1cc(Cl)c(cc1F)Br)c1sc2c(c1)CCC2	PC-id_105399096	388.725	TYAFQESYYRHEPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119044
c1(c2CCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccccc1Cl	EMOLS-id_1280448,CoCoCo_138187,PC-id_1107239,MCULE-7563558689,ZINC22_837710	388.792	OJWUCIBDMOEWTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119045
c1(c2CCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1cccc(Cl)c1	MCULE-6347673879,CoCoCo_5989856,EMOLS-id_2757264,ZINC22_4150915,PC-id_4437274,CK1980348	388.792	YYFPJPUWXBBZHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119046
Clc1ccc(cc1)NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2	PC-id_3466095,CoCoCo_6383040	388.792	PKZXPEBFPBWMBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119047
COCCc1noc(n1)c1cc(Cl)ccc1NC(=O)N1CCn2c1ncc2	EMOLS-id_319897793,MCULE-8959806414	388.808	BNVMNWDGRCAARM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119048
c1(C(=O)N)c2CCCc2sc1NC(=O)Cn1c(C)c(c(C(F)F)n1)Cl	ZINC22_2781431,EMOLS-id_4066753,TIMTEC244126,PC-id_19575901,MCULE-9290226805	388.82	JOEIZRAFMTXVEN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119049
Clc1cc([N+](=O)[O-])c(c2oc(C[NH2+]C(c3n4CCCc4nn3)C)cc2)cc1	PC-id_75929956	388.828	ITQRSVWGGYODAF-UHFFFAOYSA-O	00000010101000110001100010000000000000000000000000000000	25-01-119050
Clc1cc([N+](=O)[O-])c(c2oc(C[NH2+][C@H](c3n4CCCc4nn3)C)cc2)cc1	PC-id_52828652	388.828	ITQRSVWGGYODAF-NSHDSACASA-O	00000010101000110001100010000000000000000000000000000000	25-01-119051
Clc1cc([N+](=O)[O-])c(c2oc(C[NH2+][C@@H](c3n4CCCc4nn3)C)cc2)cc1	PC-id_52828654	388.828	ITQRSVWGGYODAF-LLVKDONJSA-O	00000010101000110001100010000000000000000000000000000000	25-01-119052
O=C(Cn1cnc(cc1=O)c1ccc(cc1)Cl)Nc1onc2c1CSC2	PC-id_121063977	388.828	HADHZLZTYDTOQX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119053
O=C(Cn1nc(ccc1=O)c1ccc(cc1)Cl)Nc1onc2c1CSC2	PC-id_121051711	388.828	VBRFVDHMHMMPBU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119054
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)Cc1cccc(Cl)c1	MCULE-7549384074,EMOLS-id_207863043	388.848	CPKRGOKQFBGJLW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119055
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)C(C)Oc1cccc(Cl)c1	MCULE-4349745774,EMOLS-id_207862875	388.848	OPJDUKATVJAASP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-119056
Clc1cc(N2CC(CC2=O)C(=O)NCc2n[nH]c3c2CCC3)ccc1OC	PC-id_72928796	388.848	KEYYVRCNGJVZBA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119057
Clc1n2CCC(SC3=C(N4[C@H](S3)[C@H](C4=O)C(O)C)C(=O)O)c2nn1	PC-id_57004687	388.85	KRDXRTUJZAXXQU-XYYQSMIWSA-N	00001011100000000001001010000000000000000000000000000000	25-01-119058
Clc1n2CCC(SC3=C(N4C(S3)C(C4=O)C(O)C)C(=O)O)c2nn1	PC-id_14124347	388.85	KRDXRTUJZAXXQU-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-119059
c1(NC(=O)CCC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C#N	PC-id_108808290,EMOLS-id_182640552,MCULE-9979785706	388.868	BKAGLSSRQLLQMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119060
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1cccc(Cl)c1)C2	ZINC22_2055718372,EMOLS-id_313736403	388.891	KREAJQOKSLEUOE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119061
O=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1nnc2n1CCC2	EMOLS-id_48775548,ZINC22_54151307,MCULE-6509423196,PC-id_75415943	388.891	SGJFODAOPARUMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119062
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ncccc1Cl	PC-id_109724859	388.898	ACIYQBAZUGRVSM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-119063
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)N1CCCCC1	ZINC22_1104462,PC-id_1284334,MCULE-4301462700,CoCoCo_1740154,EMOLS-id_2362345	388.911	HYRMZPJQQGMXOQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-119064
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C#N	MCULE-6085621946,EMOLS-id_322626370	388.911	KJOMOOSTEVRCAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119065
CCNC(=NCc1nnc2n1CCC2)NCC(Cc1cccc(c1)Cl)(C)C	PC-id_109668487	388.937	YPRSBQAMICBYQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119066
C1CC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Cl)CC(=O)C=CC(=O)O	PC-id_161028349	389.049	TZHAHSYVUYMFKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119067
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3Cl)SC4=CC=NN4	PC-id_164871966	389.071	XMDVRLHSOJIAEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119068
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NC(=O)OCC#C	PC-id_151680621	389.094	RALKJNOYHBRSML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119069
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3F)S(=O)C4=CC=NN4	PC-id_164872163	389.096	ZRTFFTIEMDRVNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119070
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3F)S(=O)C4=CNN=C4	PC-id_164872279	389.096	AOYFVWZLTFRLKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119071
Brc1cnc(c(c1)Br)C(c1sc2c(n1)CCC2)N	PC-id_104272586	389.109	GFKXCPRESZAESR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-119072
CC1=C(C=CN=C1N(C)CCN2C3=C(CC(C3)(C)C)C=C2C=O)Br	PC-id_154693249	389.11	FKHOAIKMEUMOFM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119073
C1C2=CN(N=C2CN1C(=O)CC3=CC=CC=C3)SC4=CN(N=C4)CC(F)F	PC-id_164872116	389.112	CXLKLGAYPYXTNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119074
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)SC3=CN(N=C3)CC(F)(F)F	PC-id_164872057	389.113	GBXVYLCOZKUFNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119075
CCCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)OC)S(=O)C	PC-id_154321617	389.13	RPVHIEGDBPFZSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119076
CCOC(=O)c1nn2[C@@H](C[C@H](c2n1)OC(=O)c1ccc(cc1)N(O)[O-])C(C)C	PC-id_163569162	389.147	VYBMRTLWDQVVQQ-UONOGXRCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119077
CC(C)C1C2=C(CN1CC3CCC(CC3)C(F)(F)F)C=C(S2)C(=O)OC	PC-id_155005558	389.164	QRKFCCWVEXYVMG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-119078
CC1=CC=C(C=C1)C(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N(C)C	PC-id_165180376	389.185	MGLMGWBTPXTEQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119079
CC(C1=CC=CC=C1)(C2=NNC3=C2CN(C3)C(=O)NCC4=CC=CC=C4)C(=O)N	PC-id_153863794	389.185	GRZUCUARXVXREB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119080
CC1CCc2c1c(CO)nn2Cc1ccc(c(Br)c1)C(F)(F)F	EMOLS-id_331006204,MCULE-2585218290	389.21	GZTPEEUZMVEVFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119081
CC1CCc2c1c(CO)nn2Cc1ccc(cc1Br)C(F)(F)F	EMOLS-id_331007739,MCULE-8426468781	389.21	LEBURBCSLUGJCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119082
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(CO)c12	EMOLS-id_330993078,MCULE-1876257232	389.21	XUDBMNYLPUZXBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119083
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(CO)c12	EMOLS-id_330990518,MCULE-9918396053	389.21	ODYJZQSBTJAJIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119084
Cc1c(c2nnc(n2c1=C)S(=O)(=O)O)Nc1cc(c(c(c1)Cl)O)Cl	PC-id_91615738	389.214	GIAMGRSVTPFGPY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119085
CC1=C(C)n2c(C1=Nc1cc(Cl)c(c(c1)Cl)O)nnc2S(=O)(=O)O	SCHEMBL14342464,PC-id_136192829	389.214	QJRSMSFCVNSCMU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-119086
Cc1c(C(=O)/C=C/c2cc(Br)c(O)cc2F)c(C#N)c2n1CCC2	ZINC22_2325862674	389.218	COAQZQMOAWDELI-SNAWJCMRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119087
c12CN(Cc1nn(CC1CCCCC1)c2I)C(=O)OC	MCULE-4913371668,EMOLS-id_324342372	389.232	LZYQBFHIIGRKAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119088
O=C1NCCN(C1c1ccccc1Br)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101222239	389.246	MYLXSHXXKBYGAM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119089
CCN1CCOCC1C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_278913221	389.265	BSXFBSVJFPYMNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119090
Brc1ccc(n2ncc(C(=O)Nc3sc4CCCc4n3)c2)cc1	PC-id_52202223	389.27	KGCSTRBZGSHWHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119091
Ic1scc(c1)C(=O)NCc1sc2c(c1)CCC2	EMOLS-id_315378564,PC-id_78949045	389.275	SOCDFGSSKJZJHI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119092
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)ccc1OC	PC-id_60682824	389.288	HLKPRKIFLURFQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119093
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c(OC)cc1	PC-id_60682889	389.288	IYSCYAUOQNBTQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119094
OCc1ccc(c(c1)Br)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_105977994	389.288	UEOSCRRNHYTVLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119095
OCc1ccc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Br	PC-id_105978034	389.288	SNFKUHPUFOUTQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119096
Brc1cccc(c1)C1CCN(C1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101423025	389.29	OCFDTJMLWAVIOP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119097
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c(NC)nc1	PC-id_62152570	389.291	UXRBALAHCXMOFC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-119098
ClC(=CC1Sc2n(N1)c(nn2)Cc1ccccc1)c1ccc(Cl)cc1	PC-id_10834189	389.302	RHKRATROOGAYKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119099
CC(C)(C(=O)Nc1sc2CCCc2c1C#N)c1cccc(Br)c1	MCULE-1870668444,EMOLS-id_328036386	389.309	LBXOBLHVNHIWKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119100
Brc1c(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)scc1	PC-id_61456545	389.311	DSQIASGPBDYLQV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119101
CC(=O)NC(Nc1sc2c(c1C(=O)N)CCC2)(C(F)(F)F)C(F)(F)F	PC-id_621452,TIMTEC234649,MCULE-5881776288,EMOLS-id_6774127,CoCoCo_1743927,ZINC22_4177289	389.317	JDQXWRXWBMUNAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119103
CC1(c2nn(c(c2CN1C(=O)O)NC(=O)c1ccccc1[N+](=O)[O-])C(=O)O)C	PC-id_91533441	389.32	RHZVSEYAELCIEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119104
OC(=O)c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F	SCHEMBL2162342,PC-id_67300710	389.321	MQROPMUOCXAKSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119105
C[C@@]1(Cn2cc(nc2S1)[N+](=O)[O-])COCc1ccc(cc1)OC(F)(F)F	PC-id_137638668	389.35	KZFRULYIWSGDHV-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119106
C[C@]1(Cn2cc(nc2S1)[N+](=O)[O-])COCc1ccc(cc1)OC(F)(F)F	PC-id_137651830	389.35	KZFRULYIWSGDHV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119107
CC1(Cn2c(cnc2S1)[N+](=O)[O-])COCc1ccc(cc1)OC(F)(F)F	PC-id_137653566	389.35	IAOBTTWVMZCKKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119108
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COCc1ccc(cc1)OC(F)(F)F	PC-id_137654332	389.35	KZFRULYIWSGDHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119109
C1COCCN1c1ccc(cc1)NC(=O)OCC1Cn2cc(nc2O1)[N+](=O)[O-]	PC-id_86604805	389.363	OKYUGNVSCDOBEX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119110
CS(=O)(=O)c1c2C(C(Cc2c(s1)Oc1cc(cc(c1)C#N)F)(F)F)O	SCHEMBL19865428,PC-id_134254738	389.369	FGCJEVWDLATQGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119111
O=C(c1ccc(c(c1F)F)F)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109543	389.371	XAOUNNCXFRACJA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-119112
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cc(nn2c2ccccc2)C)n1	PC-id_653865,CHEMBL1367482,MCULE-9403199999,CoCoCo_225016,BAS-01939696,EMOLS-id_1359771,ZINC22_869846,TIMTEC5196	389.374	HSOJPCOXPFHWMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119113
s1c2CCCc2cc1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_3519324	389.382	MBZYNJLBBDRBBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119114
s1c2CCCc2cc1C(=O)OCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1	PC-id_7238809	389.382	ANPABPOAVCGWEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119115
s1c2c(CCC2)c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)OC	PC-id_7521431	389.382	RRISCSGYRCESIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119116
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)NC(=O)OC	PC-id_7521432	389.382	ARJGQERPZVWQDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119117
s1c2c(CCC2)c(c1NC(=O)c1c([N+](=O)[O-])cccc1)C(=O)NC(=O)OC	PC-id_7521468	389.382	JWDXQMQUPSGOSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119118
s1c2c(CCC2)c(c1NC(=O)COc1c(cc([N+](=O)[O-])cc1)C=O)C(=O)N	PC-id_38925835	389.382	OILZYDHMPVJRSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119119
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N	PC-id_2501865	389.382	CZAWOKHEQNXFSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119120
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)N	PC-id_2622479	389.382	AFROBITWYZUEMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119121
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cccc1)C(=O)N	PC-id_2619356	389.382	GZNCRWOPKBBINK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119122
c1(NC(=O)COc2nonc2C(=O)N2CC(O)C2)sc2CCCc2c1C#N	MCULE-4376485380,EMOLS-id_333661642	389.386	JIGSAKIUJICDCP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-119123
O=S(=O)(c1cnc2n1CCC2)N1CCCC(C1)n1ccc(n1)C(F)(F)F	EMOLS-id_100210939	389.396	WCPDTRMNXLGYFP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119124
O=S(=O)(c1cnc2n1CCC2)N1CCC(CC1)n1ccc(n1)C(F)(F)F	EMOLS-id_100240993	389.396	POAZYDUWOFRGMW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119125
Fc1ccc(c(c1)F)C(=O)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101580981	389.399	BFYYZUZZVHBQJI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119126
O=C(N1CCN(CC1)C(=O)c1c(F)cccc1F)NC1CC(n2c1ncc2)C	EMOLS-id_101579358	389.399	ZSEJQFXSSPMDOR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119127
O=C1c2cccn2CC1(COC(=O)c1ccccc1)COC(=O)c1ccccc1	PC-id_139080416,2228920_OpenMolecule,CT-id_2228920	389.401	OIOZWTGFNIWOOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119128
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(F)cccc1)C(=O)OC	PC-id_4097234	389.401	SSZFENPTVGHNDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119129
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(F)cccc1)C(=O)OC	PC-id_9646765	389.401	SSZFENPTVGHNDZ-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119130
CCOC(=O)c1c(/N=C/c2cc(OC)cc(c2[O-])[N+](=O)[O-])sc2c1CCC2	GD-id_ZINC00722036	389.402	SCXBKTDHMIXQGE-DJKKODMXSA-M	00000010100000110000000010000000000000000000000000000000	25-01-119131
s1c2c(CCC2)c(c1N=Cc1c([O-])c([N+](=O)[O-])cc(OC)c1)C(=O)OCC	PC-id_1580971	389.402	SCXBKTDHMIXQGE-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-119132
s1c2c([C@H](NC(=O)C(N(Cc3ccccc3)C(=O)[O-])CO)[C@H](O)C2=O)cc1	PC-id_57368594	389.402	NEJOJHCHHQHKJL-TTZKSVMKSA-M	00000010100000110000000010000000000000000000000000000000	25-01-119133
s1c2c(C(NC(=O)C(N(Cc3ccccc3)C(=O)[O-])CO)C(O)C2=O)cc1	PC-id_76521878	389.402	NEJOJHCHHQHKJL-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-119134
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1noc(C)c1COC	MCULE-5732219767,EMOLS-id_207863364	389.406	NVCOVGVIXVUZAU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119135
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(nc2OC)OC)n1	MCULE-1568128592	389.406	YCHOPYLUOWNDBA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-119136
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(nc2OC)OC)n1	MCULE-4634721398,EMOLS-id_316330810	389.406	YCHOPYLUOWNDBA-NSHDSACASA-N	00000010100000101001000010000000000000000000000000000000	25-01-119137
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(C=[N+](C1=O)C)C#N)C(=O)OC	PC-id_73398401	389.406	WCRPURCJNLPFER-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-119138
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	PC-id_68442440,SCHEMBL2923522	389.407	KJKCLIZMQAEUOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119139
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NC(=O)c1ccccc1	PC-id_68440394,SCHEMBL2917672	389.407	BSOQJKVSDZKZTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119140
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(=O)C)Nc1ccccc1	PC-id_68440778,SCHEMBL2918967	389.407	FFSUXWMLLHZMEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119141
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1C(=O)C)Nc1ccccc1	SCHEMBL2914857,PC-id_68439379	389.407	ARMRCCYZNLDFDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119142
O=C(N1Cc2c(C1)n[nH]c2NC(=O)c1ccccc1C)NC(=O)c1ccccc1	PC-id_68441917,SCHEMBL2922287	389.407	XHYYZRLHIQRWRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119143
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccccc2)C1)NC(=O)c1ccccc1	PC-id_68440107,SCHEMBL2916922	389.407	RLIGFXBKZUSGKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119144
n12N=C(C(C)(C)C)/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncccn3)/c1nc(n2)C	PC-id_58113656	389.417	OXJJLHFPSIOQKN-QRVIBDJDSA-N	00000011100000100001100010000000000000000000000000000000	25-01-119145
n12N=C(C(C)(C)C)/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncccn3)/c1nnc2C	PC-id_58090607	389.417	GTIRNRCAVHDYQU-QRVIBDJDSA-N	00000011100000100001100010000000000000000000000000000000	25-01-119146
n12N=C(C(C)(C)C)C(=NNc3n(nc(c3[N+]#[C-])C)c3ncccn3)c1nnc2C	PC-id_76663833	389.417	GTIRNRCAVHDYQU-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-119147
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)OC)C(=O)OC	PC-id_19171043,MCULE-5141175988	389.422	AOABTNRKYBPSBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119148
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccc1OC)C(=O)OC	PC-id_2789257,STOCK2S-63069,SPECS-id_AT-225/NB60169,BAS-01292106,MCULE-8873722357,SPECS-id_AF-399/13428129,EMOLS-id_604043,ChEMBL-DNDi_CHEMBL5971564	389.422	ZWFPAOMWXMMADE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119149
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cccc(OC)c1)C(=O)OC	EMOLS-id_1341592,STOCK2S-62157,MCULE-9503678946,PC-id_2789755,BAS-01539576	389.422	MUVHBANWNVPFTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119150
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccccc1)C(=O)OC	PC-id_2789269,SPECS-id_AT-225/NB59664,STOCK2S-57616,BAS-01292125,SPECS-id_AF-399/13428144,MCULE-7047626231,EMOLS-id_603053,SCHEMBL8289626	389.422	ZFCDARHBQUEBBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119151
c1(NC(=O)COC(=O)/C=C/c2ccco2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_26817145,ZINC22_3667187,TIMTEC527624,CoCoCo_1943936,MCULE-1411190969,PC-id_5289933	389.422	WMGKNSIVJXVQND-CMDGGOBGSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119152
c1(NC(=O)COC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)OCC	PC-id_4239367,MCULE-5278040176	389.422	WMGKNSIVJXVQND-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119153
CCOc1c(ccc(c1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC	PC-id_89617363,SCHEMBL15015485	389.422	WMXFSASMPVSWRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119154
CCOc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC	SCHEMBL15015431,PC-id_89617317	389.422	ZPJFRQVMFLGCJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119155
CCOC(=O)c1c(NC(=O)COC(=O)/C=Cc2ccco2)sc2c1CCC2	CoCoCo_1943937	389.422	WMGKNSIVJXVQND-HJWRWDBZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119156
COC(=O)c1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_4825804,MCULE-4933467158,EMOLS-id_13466377,CoCoCo_3030101	389.422	PCYSYVBJMBCUCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119157
COC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_187519,PC-id_978688,ZINC22_622576	389.422	ZWFPAOMWXMMADE-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-119158
COC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1[C@H](C(=O)OC)CC2	PC-id_978687,ZINC22_622573,CoCoCo_187520	389.422	ZWFPAOMWXMMADE-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119159
COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1184445,ZINC22_944929,CoCoCo_203901	389.422	MUVHBANWNVPFTC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119160
COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_944930,CoCoCo_203900,PC-id_1184446	389.422	MUVHBANWNVPFTC-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119161
COC(=O)c1c(NC(=O)COc2ccccc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_187535,ZINC22_1744134,PC-id_1553453	389.422	ZFCDARHBQUEBBZ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119162
COC(=O)c1c(NC(=O)COc2ccccc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_622257,CoCoCo_187536,PC-id_978458	389.422	ZFCDARHBQUEBBZ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119163
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_45679939	389.422	SCGPVBRDIBRKJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119164
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C=O)C(=O)OC	PC-id_35720250	389.422	VOARDAIRXCGZJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119165
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(ccc1O)C)C(=O)OC	PC-id_16512095	389.422	VYEKBONIAVRLDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119166
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(O)cc1)C(=O)OCC	PC-id_2624678	389.422	RZMWXFGKRIJBAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119167
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OC)cc1)C(=O)OC	PC-id_24363565	389.422	JQFLNYWMFUXUTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119168
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(O)ccc1)C(=O)OCC	PC-id_2628058	389.422	GUXGGHIPPHYVQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119169
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)ccc1)C(=O)OC	PC-id_16522202	389.422	JHWWZICFYPRFBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119170
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)c(ccc1)C)C(=O)OC	PC-id_16530365	389.422	QVFZSXHSLCLESE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119171
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)cc(cc1)C)C(=O)OC	PC-id_45635194	389.422	LWLAKXMJHXEIHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119172
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)cccc1)C(=O)OCC	PC-id_2629550	389.422	HXXGJQIQJQJPMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119173
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cccc1)C(=O)OC	PC-id_7485459	389.422	OJICPDBFJVPPQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119174
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1oc(cc1)C)C(=O)OC	PC-id_24373411	389.422	HQUYLYWYUSXXCI-CMDGGOBGSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119175
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1oc(cc1)C)C(=O)OC	PC-id_74265981	389.422	HQUYLYWYUSXXCI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119176
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccccc1)C(=O)OC	PC-id_40632515	389.422	RSYCFOZBCWLIEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119177
O=CNc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1cccc(c1)F)CN(C)C	PC-id_143492498	389.424	MTCKMTVUPRTASQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119178
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)CNC(=O)C	PC-id_89238810,SCHEMBL14057624	389.426	RARAOWPXHKYBLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119179
CCOc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2928770,EMOLS-id_3401621,PC-id_4002007,MCULE-3117466309,ZINC22_6085105	389.426	FOCZWHWAAGFJHL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119180
CCOC(=O)c1c(NC(=O)C(=O)NCc2cccnc2O)sc2c1CCC2	PC-id_146136731,ZINC22_600085467	389.426	LYBGIZYTVPUHDB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119181
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC(=O)C)c2=O)CCC	MCULE-9402437162	389.426	LHBMWCVWURZCAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119182
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1cc(c([N+](=O)[O-])cc1)C)C)C(=O)N	PC-id_9384280	389.426	VVTWIKFOIZJASC-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-119183
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1cc(c([N+](=O)[O-])cc1)C)C)C(=O)N	PC-id_9384281	389.426	VVTWIKFOIZJASC-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119184
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1[nH]cc(c1)C(=O)C)C)C(=O)N	PC-id_9386429	389.426	MXGSIFXLAYWLJJ-VIFPVBQESA-N	00000010110000000000000010000000000000000000000000000000	25-01-119185
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1[nH]cc(c1)C(=O)C)C)C(=O)N	PC-id_9386430	389.426	MXGSIFXLAYWLJJ-SECBINFHSA-N	00000010110000000000000010000000000000000000000000000000	25-01-119186
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cn1c(=O)cccc1)C)C(=O)N	PC-id_8987542	389.426	WHLFMBTXJUWYEW-JTQLQIEISA-N	00000010100000101000000010000000000000000000000000000000	25-01-119187
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cn1c(=O)cccc1)C)C(=O)N	PC-id_8987544	389.426	WHLFMBTXJUWYEW-SNVBAGLBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119188
s1c2c(CCC2)c(c1NC(=O)CNc1c(ccc([N+](=O)[O-])c1)C)C(=O)OC	PC-id_24406386	389.426	XGNBDQIAPOHKCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119189
s1c2c(CCC2)c(c1NC(=O)CNc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_9082144	389.426	RUOVSHCZFOJFOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119190
s1c2c(CCC2)c(c1NC(=O)CNc1c(c([N+](=O)[O-])ccc1)C)C(=O)OC	PC-id_24406530	389.426	BSSPSBYERPRHQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119191
s1c2c(CCC2)c(c1NC(=O)C(Oc1cc(c([N+](=O)[O-])cc1)C)C)C(=O)N	PC-id_84997524	389.426	VVTWIKFOIZJASC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119192
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1n(cc(c1)C(=O)C)C)C(=O)N	PC-id_9523579	389.426	OCRBCTKUCIFOAN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-119193
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ncc(nc1)C)C(=O)OCC	PC-id_2694725	389.426	KUZFPBZHZKTRBW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119194
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1[nH]cc(c1)C(=O)C)C)C(=O)N	PC-id_84998160	389.426	MXGSIFXLAYWLJJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-119195
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cn1c(=O)cccc1)C)C(=O)N	PC-id_84892392	389.426	WHLFMBTXJUWYEW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119196
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1oc(cc1)C)C(=O)OCC	PC-id_4625956	389.426	VUNKBYMLGLAGKA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119197
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1oc(cc1)C)C(=O)OCC	PC-id_9679871	389.426	VUNKBYMLGLAGKA-DJKKODMXSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119198
CC(=O)Oc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021811,EMOLS-id_45970200	389.427	GIDCPPTXUZOKIG-KTYKIUSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119199
CC(=O)Oc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_27021816,EMOLS-id_45970202	389.427	SLRTUAPBPQUQOL-JAVCTNCCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119200
COC(=O)c1ccc(cc1)/C=c/1sc2n(c1=O)nc(n2)/C=C/c1ccccc1	EMOLS-id_206990505,STOCK4S-39349,ZINC22_5161886	389.427	ZKHHCRDNTDJJHL-XTPUDKEYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119201
n12nc(nc1sc(=Cc1ccc(cc1)C(=O)OC)c2=O)C=Cc1ccccc1	MCULE-8325644206	389.427	ZKHHCRDNTDJJHL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119202
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)C=Cc1ccccc1	MCULE-3282679922	389.427	GIDCPPTXUZOKIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119203
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)C=Cc1ccccc1	MCULE-3719823562	389.427	SLRTUAPBPQUQOL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119204
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCOCC2)n(C)nc2CSCc12	MCULE-1630798082,EMOLS-id_334567600	389.429	YBXIXUXSTKSJPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119205
c1(NC(=O)COc2nonc2CC(=O)NCCC)sc2CCCc2c1C#N	EMOLS-id_333684574,MCULE-1125346739	389.429	JSCRHLXSHALNSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119206
c1(NC(=O)COc2nonc2C(=O)N(CC)CC)sc2CCCc2c1C#N	EMOLS-id_333661899,MCULE-2116386107	389.429	URXZHRIDQKOWAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119207
c1(NC(=O)COc2nonc2C(=O)NCCCC)sc2CCCc2c1C#N	EMOLS-id_333717306,MCULE-3494223898	389.429	YUPDALVXQLIQLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119208
c1(NC(=O)COc2nonc2C(=O)NCC(C)C)sc2CCCc2c1C#N	MCULE-5835473039,EMOLS-id_333716794	389.429	CLUUFTVPENTHMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119209
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNc1ncccn1)C(=O)N	PC-id_55701328	389.429	YOKSUNOGCVRIKP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119210
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN(C)c1ncccn1)C(=O)N	PC-id_46602807	389.429	KEPALZBVLLFHCS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119211
S1Cc2c(nn(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)NCCC)C1	PC-id_44052897	389.429	ZXLBIJWARQNRDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119212
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])ccc2)CC(=O)NCCC)C1	PC-id_44052896	389.429	LDZGTCKHAWJTFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119213
S1Cc2c(nn(c2NC(=O)c2c([N+](=O)[O-])cccc2)CC(=O)NCCC)C1	PC-id_44052895	389.429	HDFKUXOCBJBWGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119214
s1c2c(CCC2)c(c1Nc1nc(N2CCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127487	389.432	CMIWJVDLJXXLQB-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-119215
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCCC(C1)C(F)(F)F	EMOLS-id_43423919,MCULE-8691134443,PC-id_24506777	389.436	RGAVDKGZPNDWIC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-119216
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@H](C(F)(F)F)C1	CoCoCo_4226536,PC-id_51707813,ZINC22_36007382,CoCoCo_4226534	389.436	RGAVDKGZPNDWIC-UWVGGRQHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-119217
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@@H](C(F)(F)F)C1	CoCoCo_4226537,CoCoCo_4226539,ZINC22_14924240,PC-id_26300837	389.436	RGAVDKGZPNDWIC-NXEZZACHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-119218
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@@H](C(F)(F)F)C1	ZINC22_14924242,CoCoCo_4226533,PC-id_26300839,CoCoCo_4226535	389.436	RGAVDKGZPNDWIC-VHSXEESVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-119219
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@H](C(F)(F)F)C1	ZINC22_36007383,CoCoCo_4226538,CoCoCo_4226540,PC-id_51707815	389.436	RGAVDKGZPNDWIC-ZJUUUORDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-119220
CCOC(=O)c1c(NC(=O)CCC(=O)c2ccc(F)cc2)sc2CCCc12	EMOLS-id_327918650,MCULE-4353301803	389.441	SIDANFBSTYDWQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119221
Fc1ccc(cc1)C1OCCN(C1)C(=O)COC(=O)c1sc2c(c1)CCC2	PC-id_71888067,MCULE-1381481544,EMOLS-id_44544388	389.441	RWRRHRWVIKTNCW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119222
O=C(OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1cc2c(s1)CCC2	ZINC22_60679922,PC-id_94868119	389.441	RWRRHRWVIKTNCW-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119223
O=C(OCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1cc2c(s1)CCC2	ZINC22_84393602,PC-id_97011973	389.441	RWRRHRWVIKTNCW-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119224
Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c2CCCc12	MCULE-3061012891,EMOLS-id_50145284,PC-id_86266556	389.444	HJKNYUVEOFBSAZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-119225
Fc1ccc(cc1)C(=O)Nc1sc2c(n1)[C@@H](CC2)C(=O)NC[C@H]1CCCO1	CoCoCo_5124744	389.444	RXTPHJDGNOZRKG-ZIAGYGMSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119226
Fc1ccc(cc1)C(=O)Nc1sc2c(n1)[C@@H](CC2)C(=O)NC[C@@H]1CCCO1	CoCoCo_5124745	389.444	RXTPHJDGNOZRKG-UONOGXRCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119227
Fc1ccc(cc1)C(=O)Nc1sc2c(n1)[C@H](CC2)C(=O)NC[C@@H]1CCCO1	CoCoCo_5124746	389.444	RXTPHJDGNOZRKG-KBPBESRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119228
Fc1ccc(cc1)C(=O)Nc1sc2c(n1)[C@H](CC2)C(=O)NC[C@H]1CCCO1	CoCoCo_5124747	389.444	RXTPHJDGNOZRKG-KGLIPLIRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119229
o1cc2CN(Cc2c1)C(=O)CC(Cc1ccccc1)C(=O)OCc1ccccc1	PC-id_74011447	389.444	LESURYTZAVDLIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119230
o1cc2CN(Cc2c1)C(=O)C[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	SCHEMBL8401338,PC-id_22942372	389.444	LESURYTZAVDLIV-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119231
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCC1OCCC1	PC-id_16947211	389.444	RXTPHJDGNOZRKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119232
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)NCc1occc1	PC-id_74533789	389.445	YIAIOXYVUYUQSW-UHFFFAOYSA-M	00000010101000000000000010000000000000000000000000000000	25-01-119233
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)NCc1occc1	PC-id_27521467	389.445	YIAIOXYVUYUQSW-LLVKDONJSA-M	00000010101000000000000010000000000000000000000000000000	25-01-119234
s1c2c(CCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)NCc1occc1	PC-id_27521469	389.445	YIAIOXYVUYUQSW-NSHDSACASA-M	00000010101000000000000010000000000000000000000000000000	25-01-119235
CC(C)S(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960077	389.446	LQEGXRHTWFDKIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119236
CCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960078	389.446	PIAYPXXSZCVVKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119237
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1cc(F)ccc1F	PC-id_109450731	389.446	GRXHGMWCMFVJGV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119238
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ccc(cc1F)F	PC-id_111920547	389.446	VSSAPRQQFIEHGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119239
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1c(F)cccc1F	PC-id_109614076	389.446	GQIGJLDEPBLCIZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119240
CCc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1[N+](=O)[O-]	MCULE-6020838709,EMOLS-id_328218489	389.447	YLVPUPLWMLHXSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119241
CCOC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1	MCULE-4842175506,EMOLS-id_328222076	389.447	WMCFWJJQCKZCCG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-119242
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(CCC(=O)O)cn1	MCULE-9804468696,EMOLS-id_328222843	389.447	DAKLOEQHNJOLNJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-119243
O=c1n2n([C@H](C[C@H]2/C=C/c2ccccc2)C=C)c(=O)n1Cc1ccc(OC)cc1	PC-id_25023286	389.447	PUVUQJQLAJQJHH-WQEUXLNQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119244
O=c1n2n([C@H](C[C@H]2C=Cc2ccccc2)C=C)c(=O)n1Cc1ccc(OC)cc1	PC-id_25023287	389.447	PUVUQJQLAJQJHH-VQTJNVASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119245
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)Cc1ccc(N(=O)=O)cc1	MCULE-2015208355,EMOLS-id_186601680	389.449	RNQIPIMPCAEBDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119246
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1sccc1)C#N	PC-id_8662270	389.449	QKCSPTSTMFZDLI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119247
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1nccnc1Oc1ccccc1	BDD-29993482,MCULE-6765273989,PC-id_110256526	389.45	LIBABVBSSQVTBQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119248
c1(C(=O)N2CCC(CC2)c2nccnc2Oc2ccccc2)c2CCCc2[nH]n1	BDD-29993487,MCULE-8432716543,ZINC22_72362659,PC-id_95822863	389.45	VHKSGQYQJBHHQM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119249
c1(C(=O)N2CCN(CC2)c2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316253179,MCULE-3218242807	389.45	FXUAZWOFTBZULQ-FQEVSTJZSA-N	00000010100010111001100010000000000000000000000000000000	25-01-119250
c1(C(=O)N2CCN(CC2)c2ccccc2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-5354417432	389.45	FXUAZWOFTBZULQ-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-119251
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)Cc3cccc(C)c3)Cc12	MCULE-4642646526,EMOLS-id_316320573	389.45	HFDSLACOKWAVKW-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-119252
c1(C(=O)NCc2cccnc2)cnn2CC(NC(=O)Cc3cccc(C)c3)Cc12	MCULE-3968841220	389.45	HFDSLACOKWAVKW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-119253
Cc1cccc(c1)CC(=O)Nc1n[nH]c2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68440562,SCHEMBL2918235	389.45	GVASPDXEMGEQAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119254
CC(C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)c1ccccc1	SCHEMBL2924271,PC-id_68442761	389.45	VRQBPTBTGXTKFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119255
CCC(=O)N(c1n[nH]c2c1CN(C2)C(=O)NCc1ccccc1)c1ccccc1	PC-id_68442944,SCHEMBL2924758	389.45	USGKWNAVZDCMNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119256
CC(=O)Nc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	PC-id_68441432,SCHEMBL2920902	389.45	KPBDHBAKBRXYIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119257
CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	PC-id_68441433,SCHEMBL2920905	389.45	QBEJCJJOFZWHQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119258
CC(=O)Nc1ccc(cc1)C(=O)Nn1c2c(CN(C2)CCc2ccccc2)cn1	PC-id_90917374	389.45	JYJWJBFEWZCWJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119259
Cn1cc(CN(C(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)C2CC2)nn1	ZINC22_1875274721	389.45	UOGPCIJDRGCKCA-GOSISDBHSA-N	00100010100000110001000010000000000000000000000000000000	25-01-119260
Cn1cc(CN(C(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)C2CC2)nn1	ZINC22_1875274722	389.45	UOGPCIJDRGCKCA-SFHVURJKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-119261
N#Cc1c(PC(=O)C(c2ccccc2)Cc2ccccc2)sc2c1CCC2	SCHEMBL13980262,PC-id_71043618	389.45	WQNYABRTGNLYLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119262
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1cccnc1	SCHEMBL2917270,PC-id_10178413	389.45	QMNOPMOMRJZHGO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-119263
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1ccncc1	SCHEMBL2915071,PC-id_10293709	389.45	VNUXIXRUOPIJDT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-119264
O=C(c1n[nH]c2c1CCC2)N1CCCC(C1)c1cncc(n1)Oc1ccccc1	PC-id_110256527,MCULE-4054520149,BDD-29993509	389.45	LPNLGBYWRITEGH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119265
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1	PC-id_95822865,ZINC22_72362661	389.45	LPNLGBYWRITEGH-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119266
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1	ZINC22_72362660,PC-id_95822864	389.45	LPNLGBYWRITEGH-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119267
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1	ZINC22_72362657,PC-id_95822861	389.45	LIBABVBSSQVTBQ-OAHLLOKOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119268
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1	ZINC22_72362658,PC-id_95822862	389.45	LIBABVBSSQVTBQ-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119269
O=C(c1oc2c(n1)CN(C2)Cc1ccccc1)N1CCN(CC1)c1ccncc1	PC-id_97442815	389.45	SIZAQRYXRUJQJW-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-119270
O=C(N1Cc2c([nH]nc2NC(=O)Cc2c(cccc2)C)C1)NCc1ccccc1	SCHEMBL2917531,PC-id_68440342	389.45	RLVKUMHKHOCQLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119271
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccc(cc2)C)C1)NCc1ccccc1	SCHEMBL2920873,PC-id_68441419	389.45	BNQFQDWYCFVCGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119272
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1ccc(cc1)N1CCCC1=O	EMOLS-id_102155743	389.452	DEESFXJMNXCBCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119273
N#Cc1c(NC(=O)c2ccc(cc2)N2CCCS2(=O)=O)nc2n1CCS2	EMOLS-id_98894244	389.452	IISDXCRCIWVSGU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119274
N#Cc1c(NC(=O)c2cccc(c2)N2CCCS2(=O)=O)nc2n1CCS2	EMOLS-id_98900473	389.452	GGILDCSNXUIDMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119275
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1n[nH]c2CCCc12	MCULE-5803180126,EMOLS-id_335110323	389.452	IHJUQIVKECSOGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119276
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(F)cccc1F)CC)C#N	PC-id_56384174	389.462	AJEZJPBAAXDCGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119277
Fc1cccc(c1)C(=O)c1c(NC(=O)C[NH+]2CCOCC2)sc2c1CCC2	GD-id_ZINC04240405,PC-id_7145067	389.464	KLQLRLXLWPHYMU-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-119278
s1c2CCCc2cc1C(=O)OCc1nc(sc1)COc1ccc(F)cc1	PC-id_8359202	389.464	FHVZTBWEDPNQOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119279
c1(cc(C)c(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cc1OC)OC	EMOLS-id_327982555,MCULE-1197053796	389.465	CAERPBOLQSRJSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119280
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)OCCC	PC-id_1758262,TIMTEC503030,EMOLS-id_4067408,CoCoCo_5833380,MCULE-4956962339,ZINC22_2103052	389.465	VKVSAMXPEXPEEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119281
s1c2c(CCC2)c(c1NC(=O)c1c(OCCOC)cccc1)C(=O)OCC	PC-id_17355357	389.465	DDPPPWUCMFRKOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119323
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	ZINC22_708533,EMOLS-id_2200310,TIMTEC536941,MCULE-7451789809,CoCoCo_904107,PC-id_1037831,SPECS-id_AE-848/11734062	389.465	WWUPMJKORLVPTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119282
c1(NC(=O)CCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	MCULE-5068987214,PC-id_19220673	389.465	ISYFGXQPLIQAFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119283
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	MCULE-2044721470,PC-id_1684331	389.465	QKADWISZWLPKCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119284
c1(NC(=O)CCCOc2ccccc2OC)sc2c(CCC2)c1C(=O)OC	PC-id_1671764,MCULE-9263038828	389.465	TXRLZTJZACWSCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119285
c1(NC(=O)C(C)Oc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-1535764538,PC-id_2789602,ChEMBL-DNDi_CHEMBL6125949,EMOLS-id_1116938,STOCK2S-64889	389.465	HTSWVMSZNPJOKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119286
c1(NC(=O)C(C)Oc2cccc(OC)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_4065066,MCULE-3785082106	389.465	XOXPLDMDFLLNIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119287
c1(NC(=O)COc2ccccc2OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-7143817484,EMOLS-id_327814345,PC-id_1663923	389.465	LXXPZTSRAXBOLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119288
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_1637646,MCULE-9016404071,EMOLS-id_327929066	389.465	CGRCQPBPFQWIJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119289
CCCc1ccc(cc1)C(=O)c1n2CCC(c2cc1S(=O)(=O)C)C(=O)OC	PC-id_20235113,SCHEMBL10815748	389.465	BJFXWPDUKMIOIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119290
CCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C	PC-id_23333040,SCHEMBL11444469	389.465	ALZAGKBPPVTWBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119291
CCCCOC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C	PC-id_70587398,SCHEMBL11444471	389.465	KSFBMJIMNVRUMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119292
CCCCS(=O)(=O)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC	PC-id_23333095,SCHEMBL11438554	389.465	YHBHCQOAERTLCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119293
CCCCS(=O)(=O)c1cccc(c1)C(=O)C1(CCn2c1ccc2)C(=O)OC	PC-id_70586121,SCHEMBL11438555	389.465	WVZAQULHCYLETP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119294
CC(COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C)C	PC-id_23333142,SCHEMBL11443492	389.465	NGXIRCWSIVVEGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119295
CC(COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C)C	PC-id_70587166,SCHEMBL11443493	389.465	HIOSNHZKYVYFGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119296
CCOC(=O)C1(CCn2c1ccc2C(=O)c1sccc1CC)C(=O)OCC	PC-id_19914046,SCHEMBL9688085	389.465	DHAKTBFISKJXCH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119297
CCOC(=O)c1c(/N=C/c2cc(OC)c(c(c2)OC)OC)sc2c1CCC2	CoCoCo_6385960,PC-id_45146483	389.465	ULTABSDXFIMWKS-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119298
CCOC(=O)c1c(/N=Cc2cc(OC)c(c(c2)OC)OC)sc2c1CCC2	CoCoCo_6385961	389.465	ULTABSDXFIMWKS-NHDPSOOVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119299
CCOC(=O)c1c(NCC(=O)c2ccc(c(c2)OC)OC)sc2c1CCC2	PC-id_110829919	389.465	MWEBTCWWFRARCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119300
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(OC)cc2)sc2c1CCC2	CoCoCo_742658,PC-id_2268615,ZINC22_2951708	389.465	HTSWVMSZNPJOKW-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119301
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)sc2c1CCC2	CoCoCo_742659,PC-id_1184313,ZINC22_944747	389.465	HTSWVMSZNPJOKW-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119302
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)OC(C)C)S(=O)C	PC-id_20235086,SCHEMBL10813667	389.465	IILHPMNWMLOKCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119303
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)CC(C)C	PC-id_23333062,SCHEMBL11444461	389.465	VTUMMSIKTSGRHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119304
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C(C)(C)C	PC-id_70587147,SCHEMBL11443425	389.465	WSPIDVGBQRRDKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119305
COC(=O)C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)CC(C)C	SCHEMBL11438455,PC-id_70586098	389.465	ICITVWIWZWMOIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119306
COC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)S(=O)(=O)C(C)(C)C	SCHEMBL11443424,PC-id_23333113	389.465	TYDKDARWXFFVBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119307
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)CC(C)C	SCHEMBL11444443,PC-id_23333053	389.465	PSFKHYBMBDUZIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119308
COC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C(C)(C)C	SCHEMBL11444466,PC-id_23333103	389.465	HVHVDKUDWRXUFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119309
O=C1C=C(OC(C1)(C)C)C(=O)Nc1sc2c(c1C(=O)C1CCC1)C(OC2)C	SCHEMBL2163174,PC-id_24772406	389.465	TZOIFCANSNKMFM-UHFFFAOYSA-N	00001010100011000000000010000000000000000000000000000000	25-01-119310
O=C(C1CCn2c1ccc2C(=O)c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C	PC-id_23333141,SCHEMBL11437454	389.465	MLESWIONIMASMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119311
O=C(C1(CCn2c1ccc2)C(=O)c1cccc(c1)S(=O)(=O)C)OC(C)(C)C	PC-id_70585892,SCHEMBL11437456	389.465	RKFGOAWURMQSKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119312
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)CCC(=O)OC)C	PC-id_7623946	389.465	YHNBJHGQOIOSDV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-119313
s1c2CCCc2cc1C(=O)OC(C(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C	PC-id_78464109	389.465	LXGPOOCNPPLLKO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-119314
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(OCC)c(OCC)cc1	PC-id_7238896	389.465	XJANMDGZAZACNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119315
s1c2CCCc2cc1C(=O)OCC(=O)NCCc1cc(OC)c(OC)cc1	PC-id_7623879	389.465	YCDSYHSEDZKWNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119316
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C	PC-id_7238885	389.465	LXGPOOCNPPLLKO-GFCCVEGCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-119317
s1c2CCCc2cc1C(=O)O[C@H](C(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C	PC-id_7238886	389.465	LXGPOOCNPPLLKO-LBPRGKRZSA-N	00000010110000000000000010000000000000000000000000000000	25-01-119318
s1c2c(CCC2)c(c1N=Cc1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_35211409	389.465	ULTABSDXFIMWKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119319
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCOC)cc1)C(=O)OCC	PC-id_17353472	389.465	HNNYENBKEUCMBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119320
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCOCC)cc1)C(=O)OC	PC-id_17112587	389.465	YSQJRQIIMMWGCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119321
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCOCC)ccc1)C(=O)OC	PC-id_17139563	389.465	WRNZVJPLULVHGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119322
s1c2c(CCC2)c(c1NC(=O)c1c(OCCOCC)cccc1)C(=O)OC	PC-id_17122703	389.465	KNSLMGCXRMKSJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119324
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1cc(OC)ccc1)C)C(=O)OCC	PC-id_1653906	389.465	XOXPLDMDFLLNIC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119325
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(OC)cccc1)C)C(=O)OCC	PC-id_4943174	389.465	PWOAVHOOPXANML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119326
s1c2c(C(N(C)C)(COC(=O)c3cc(OC)c(OC)c(OC)c3)C=C2)cc1	PC-id_18947194	389.465	WYKMVBGROCYJCG-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-119327
c1(c2CCCc2sc1NC(=O)CNCCO)C(=O)Nc1ccc(cc1)OC	MCULE-2514032709,CoCoCo_867879,ZINC22_3003083,PC-id_2299200,EMOLS-id_233080502	389.469	CSNQMFNQNHXKIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119328
c1(cc2c(CCC2)s1)C(=O)N1CCC(CC1)(O)c1cnc(nc1OC)OC	EMOLS-id_324496,MCULE-2707923975,PC-id_95799556,ADM-14549732,ZINC22_72337537	389.469	CSDSTHGOQUEKIS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-119329
c1(NC(=O)NCCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)N	PC-id_8057093,MCULE-9241904888,STOCK6S-10705,ZINC22_6719743,EMOLS-id_4740666	389.469	GFUJQGYFWXSGEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119330
c1(OCC)ncc(cn1)CCC(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328204695,MCULE-8445719540	389.469	SSUGDQIBUOKKND-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119331
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1onc2CCCc12	PC-id_16828682,EMOLS-id_12336707,Chemmine_45376,ZINC22_8976509,MCULE-1074123250,CoCoCo_5123873	389.469	NFAVVVQFXNSPHF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119332
CCC(CC)c1nc2s/c(=Cc3cc(OC)c(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324849901	389.469	JRQMHGOZEIWNGO-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119333
COc1ccc(cc1OC)CCNC(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4682557,EMOLS-id_24499621,MCULE-7484052414,PC-id_32420115	389.469	DXJWKZCTUHNGJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119334
n12c(=O)c(=Cc3cc(c(OC)c(OC)c3)OC)sc1nc(C(CC)CC)n2	MCULE-1014449111	389.469	JRQMHGOZEIWNGO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119335
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1oc(nn1)C	PC-id_45663325	389.469	DTUVOSLIHJEOOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119336
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1onc(n1)C	PC-id_31047713	389.469	AIRICDMCULBGHG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119337
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(c(c1)C)CC)C)C(=O)N	PC-id_8912053	389.469	HTLHJILICFGTGB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-119338
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCC	PC-id_16947993	389.469	VGCSMJHPMAMPTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119339
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC(C)C	PC-id_16947994	389.469	DGACHLGCIZAFNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119340
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322859240,MCULE-1583165744	389.47	SNWVARUMMZCBQV-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-119341
c1(NC(=O)c2ccc(nc2C)c2ccccc2OC)sc2c(CCC2)c1C#N	MCULE-7437464271,EMOLS-id_322862823	389.47	XRXNTNOYQSHMKH-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-119342
c1(NC(=O)c2ccc(nc2C)c2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_322863079,MCULE-7760326470	389.47	XAAXAUATKOUDQH-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-119343
CCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	ZINC22_27021586,EMOLS-id_45970118	389.47	JQLHJIZGEFEBBZ-JFNIHZHXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119344
CCCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_16779397	389.47	OBBYKZCRIJJQCM-GRIAUZHRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119345
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021610,EMOLS-id_45970130	389.47	OBBYKZCRIJJQCM-XIHFDNFTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119346
CCCOc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_324917002	389.47	WGNPCTTYVGRLEG-NMYIEGGISA-N	00000000100000110001000010000000000000000000000000000000	25-01-119347
CC(C)Oc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_324917770	389.47	ZKHQXMHIPJKZGL-QQITVKKTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119348
CCCOc1cccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_27022606,EMOLS-id_45970576	389.47	WGNPCTTYVGRLEG-IHFZGXTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119349
CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O	ZINC22_16735422,EMOLS-id_45966219	389.47	IMKRYUUAUHRAKP-OZGAEJQKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119350
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324915470	389.47	WVMVGPWUCXNOEW-ANMLQGLPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119351
CCOc1cccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324919809	389.47	FEJKIYZHOSAGMK-QQITVKKTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119352
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)C=Cc1ccc(cc1)OC	MCULE-2486419495	389.47	HHOUHUYLUPGRAR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119353
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)C=Cc1ccc(cc1)C	MCULE-1033920648	389.47	WVMVGPWUCXNOEW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119354
n12nc(nc1sc(=Cc1ccccc1OCC)c2=O)C=Cc1ccc(cc1)C	MCULE-7021464895	389.47	IMKRYUUAUHRAKP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119355
n12nc(nc1sc(=Cc1ccccc1OCCC)c2=O)C=Cc1ccccc1	MCULE-5984450709	389.47	JQLHJIZGEFEBBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119356
n12nc(nc1sc(=Cc1ccc(cc1)OCCC)c2=O)C=Cc1ccccc1	MCULE-9279601519	389.47	OBBYKZCRIJJQCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119357
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-5572495187	389.47	FEJKIYZHOSAGMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119358
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)C=Cc1ccccc1	MCULE-4236902546	389.47	WGNPCTTYVGRLEG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119359
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)C=Cc1ccccc1	MCULE-8959311739	389.47	ZKHQXMHIPJKZGL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119360
c1(C(=O)N[C@H]2[C@H](O)C[C@H](C2)C(=O)NCc2csc(C)n2)c2CCCc2[nH]n1	EMOLS-id_337686736,ZINC22_2100545182,MCULE-8941582062	389.472	RPVJXIGNDDYFTD-COLVAYQJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119361
Cc1ccc(cc1NC(=O)N1CCn2c1ncc2)S(=O)(=O)N1CCCCC1	EMOLS-id_319646859	389.472	FBGAQZYIOHXNAX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119362
Cc1nc(cn1C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109666	389.472	LBJGPHDZYMRPQX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-119363
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1c(C)n[nH]c1C)Cc1ccco1	PC-id_92109638	389.472	YTWXNBDGCIMKDN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-119364
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC22_8768880,EMOLS-id_11977933,PC-id_17555893,MCULE-7226038048,CoCoCo_4525762	389.472	IXTMAAPQQVJURD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119365
COc1ccc(cc1)[C@H](C1C(=O)n2c(ncn2)S1)N1CCN(CC1)CCO	PC-id_134715930	389.472	JDOXIUKDTKQGRI-AAFJCEBUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119366
NC(=O)c1ccc(cc1N1CCCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97840467	389.472	IYAHLDPCXULRNO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119367
O=C(N1CCn2c1ncc2)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)C	EMOLS-id_320034830,MCULE-8340523634	389.472	XOXKWIISOFUMNQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119368
O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)NC1CC(n2c1ncc2)C	EMOLS-id_101434176	389.472	SFUPVIIDAGOAGI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119369
s1c2CCCc2nc1NC(=O)CCC1C(=NC(=NC1=O)N1CCOCC1)C	PC-id_74630112	389.472	VCVSMGMJLMKITD-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-119370
s1c2CCCc2nc1NC(=O)CCc1c([nH]c(N2CCOCC2)nc1=O)C	PC-id_33040970	389.472	USKYMMQQVOTKNZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-119371
c1(NC(=O)c2ccc(cc2)Nc2nc(cc(C)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_182639123,MCULE-9822081985,PC-id_108807923	389.473	IDIJMCZYUNMUPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119372
c1(NC(=O)c2cccc(c2)Nc2nc(cc(C)n2)C)sc2c(CCC2)c1C#N	PC-id_108804704,EMOLS-id_182627882,MCULE-9991844969	389.473	ZXXGQYBHWWRETF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119373
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1[nH]nc(c2sccn2)c1	EMOLS-id_328223101,MCULE-3154354868	389.473	XKESKDRVSPWWBQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119374
s1c2CC=Cc2nc1C=NN/C(=N/c1ccc(OCC)cc1)/c1ncccc1	PC-id_5229575	389.473	OFYUDOQDQILYJU-UHFFFAOYSA-N	00000011100000111001000010000000000000000000000000000000	25-01-119375
s1c2CC=Cc2nc1/C=N/N/C(=N/c1ccc(OCC)cc1)/c1ncccc1	PC-id_9760522	389.473	OFYUDOQDQILYJU-OEAKJJBVSA-N	00000011100000111001000010000000000000000000000000000000	25-01-119376
S(c1c(C(=O)N(Cc2n3CCCc3nn2)C)cccc1)c1c(cccc1)C#N	PC-id_52587714	389.473	UYEMHHMTKCLFFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119377
CCN(CCNS(=O)(=O)C)c1ccc(cc1)N=c1c(=C)[nH]n2c1nc(n2)C	PC-id_91217034	389.475	JNFORCHLCLYYDW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119378
S(=O)(=O)(NCCN(CC)c1ccc(/N=C/c3n(N=C2C)c(nn3)C)cc1)C	PC-id_20578697	389.475	ZBYKATBDGICKFP-KNTRCKAVSA-N	00000011100000110001000010000000000000000000000000000000	25-01-119379
S(=O)(=O)(NCCN(CC)c1ccc(/N=C/c3n(N=C2C)nc(n3)C)cc1)C	PC-id_20578696	389.475	QLLUZPMERFMWIK-CAPFRKAQSA-N	00000011100000110001000010000000000000000000000000000000	25-01-119380
NC(=O)Cc1nc2c(s1)CN([C@H]2C(C)C)CC1CCC(CC1)C(F)(F)F	PC-id_140763657	389.479	MYSOYQVPTGYOLH-MFGLSYLJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119381
CCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CC=C2C(=O)OCCC(C)C	PC-id_88673053,SCHEMBL10818171	389.487	WGXRHEQHKLBTQE-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-119382
CCCCCCOC(=O)C1=CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)CC	SCHEMBL10818147,PC-id_88673043	389.487	SGFKRSQPBWPLPY-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-119383
s1c2c(CCC2)c(c1NC(=O)CNC(C(C)C)c1ccc(F)cc1)C(=O)N	PC-id_84935021	389.487	NAVHBBUXLKRBGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119384
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](C(C)C)c1ccc(F)cc1)C(=O)N	PC-id_9133616	389.487	NAVHBBUXLKRBGE-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119385
s1c2c(CCC2)c(c1NC(=O)CN[C@H](C(C)C)c1ccc(F)cc1)C(=O)N	PC-id_9133619	389.487	NAVHBBUXLKRBGE-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119386
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N(CCC)CCC	PC-id_16947174	389.487	STRNDYKANNJUNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119387
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N(C(C)C)C(C)C	PC-id_16947175	389.487	WXZRFNDBHUXJDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119388
s1c2CCCc2cc1C(=O)OCC(=O)c1cc(NC(=O)C)c(SC)cc1	PC-id_24526156	389.488	GNOJEUGLYHFMEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119389
CC(C)Oc1ccccc1OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_90815991	389.489	NQRGIBLAFIIHMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119390
CC(/C(=C/1C(=N)Sc2c1[nH]nc2NCc1ccc(c(c1)C(O)(C)C)F)/C)N	PC-id_145425229	389.49	JZRLILHWSWJXTK-UJADIJFVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119391
O=C(NCc1ccc(Oc2ccc(cc2)C)cc1)c1n(nc2C(CCc12)CC)C	PC-id_15008436	389.49	WBDOLSYQNUODPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119392
c1(NC(=S)NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)N	TIMTEC490642,CoCoCo_6894361,EMOLS-id_4067558,ZINC22_2052475,SPECS-id_AG-670/41728540,MCULE-9608573385,PC-id_1718385	389.492	UWZUOERSUHKKSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119393
c1(NC(=S)NC(=O)c2cccc(C)c2OC)sc2c(CCC2)c1C(=O)N	CoCoCo_921017,ZINC22_2827388,SPECS-id_AM-879/PD00946,MCULE-7941874998,TIMTEC503380,SPECS-id_AP-970/41693097,SPECS-id_AN-153/I224081,EMOLS-id_1730440,PC-id_2186298	389.492	VLFYUFOHKWIYLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119394
c1(NC(=S)NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)N	TIMTEC186885,SPECS-id_AM-879/MD25120,CoCoCo_6317430,EMOLS-id_4067560,ZINC22_6554604,MCULE-4967783256,SPECS-id_AP-970/41728532,SPECS-id_AN-153/I259612,PC-id_4504471	389.492	HCKZYAMYTJGZHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119395
c1(NC(=S)NNC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)OC	TIMTEC515179,PC-id_4508767,EMOLS-id_4067556,CoCoCo_6797582,MCULE-1139972656	389.492	VYKYRDOQXJIABL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119396
c1(NC(=S)NNC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)OC	MCULE-7607150594,EMOLS-id_4067554,TIMTEC371968,CoCoCo_6797578,PC-id_4508602	389.492	PASGYNNVDWCNCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119397
Cc1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4505186,ZINC22_6861183	389.492	OFTQYRJWWYYGQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119398
Cc1cccc(OCC(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_6860439,PC-id_4505187	389.492	WIURXHJYOQONKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119399
Cc1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_4505188,ZINC22_6845552	389.492	GOYSEDQWUWDEBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119400
CC(=O)Nc1ccc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	MCULE-4009678483,ZINC22_2663506,EMOLS-id_33329458,PC-id_2127660	389.492	BCKQVQKGZNJHQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119401
COCCN(Cc1nnc(c2cccs2)o1)C(=O)c1cc2c(s1)CCC2	CoCoCo_3275748,ZINC22_32983434,PC-id_40209284,MCULE-4060344199,EMOLS-id_24480371	389.492	JTAMDNIQRXYXDK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-119402
O=C(Nc1sc2c(c1C(=O)NC(=O)N(C)C)CCC2)C=Cc1cccs1	PC-id_92046518	389.492	RUICYAIKWGJSTG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119403
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)NC2=NCCC2)ccc1	PC-id_29359908	389.492	PBPZWGSDGHJTCY-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-119404
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(NC(=O)C)cc1)C(=O)OC	PC-id_20414244	389.492	NWKMHKIDATZTDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119405
s1c2c(CCC2)c(c1NC(=S)Nc1cc(NC(=O)C)ccc1)C(=O)OC	PC-id_19678505	389.492	TZYUYSIGLRQAJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119406
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cccc(c1)n1cccn1	PC-id_92109917	389.493	JWEVCJKVRVZQPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119407
c1(NC(=O)CSc2nnc(c(=O)[nH]2)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-1497098560,EMOLS-id_322525040	389.495	LYGJIWJAGSIYRS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119408
O=C(N1CCN(CC1)CC(=O)N1CCCCC1C)NCc1nnc2n1CCC2	EMOLS-id_97960963	389.495	KMSZAJNSTLTTFT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119409
O=C(N1CCN(CC1)CC(=O)N1CCCCCC1)NCc1nnc2n1CCC2	EMOLS-id_97960918	389.495	JXIZAAWFXAKZAL-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-119410
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)COC)CC=C)C#N	PC-id_17136771	389.495	SYFOGNAWJGYGGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119411
C=C/C(=CC=C(/C(C)C)C)/OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_143029530	389.508	QRZVBVWTXYULIT-YCRUPXPOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119412
c1(NC(=O)c2ccc(cc2)OCCCC)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160382,EMOLS-id_5442829,ChEMBL-DNDi_CHEMBLF0561-0505,MCULE-6409288484	389.512	RPGDTZJXUVLGGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119413
c1(NC(=O)c2ccc(c(OCC)c2)OCC)c2CSCc2nn1C(C)(C)C	PC-id_3245860,CoCoCo_6773180,ChEMBL-DNDi_CHEMBLF0529-0129,EMOLS-id_29382478,ChEMBL-DNDi_CHEMBL1494874,BindingDB-id_142444,CHEMBL1494874,ZINC22_3957874,MCULE-3707129899,BindingDB_PC-id_3245860	389.512	SFCRMQXRMVJTNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119414
CCCCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1	CoCoCo_4985376,ZINC22_2725015,PC-id_11877748	389.512	RPGDTZJXUVLGGI-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119415
CCCCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1	ZINC22_4106157,PC-id_11863897,CoCoCo_4985375	389.512	RPGDTZJXUVLGGI-MHZLTWQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-119416
CN(C(=O)N1CCC(CC1)C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)C	EMOLS-id_101170344	389.512	CPOHIYSROPLQGT-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-119417
COc1ccc(cc1)S(=O)(=O)N(Cc1nn(C)c2CCCc12)C1CCCC1	EMOLS-id_50145374,PC-id_86266604,MCULE-1917764448	389.512	FJNZDWWOUJZYST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119418
O=C(c1ccc(cc1)C(C)(C)C)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0541-0045,CHEMBL1346067,CoCoCo_4982165,PC-id_4150634	389.512	NSCADFKINJGRQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119419
O=C(C1CC=CCC1C(=O)N1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102164167	389.512	CTZMXTRHMGUXNL-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-119420
s1c2c(CCC2)c(c1NC(=O)CCN(CC1CC1)CCC(=O)OCC)C#N	PC-id_60254040	389.512	YWHFEGLKUIKKEG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-119421
CC(C)c1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324902924	389.513	QNLCINQSVXUNGG-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119422
CC(C)(C)c1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324838134	389.513	NVSRRECTPIUPFL-CYVLTUHYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119423
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCc1ccccc1	MCULE-1491591920	389.513	NVSRRECTPIUPFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119424
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)CCc1ccc(cc1)C	MCULE-7041858805	389.513	QNLCINQSVXUNGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119425
CC(N1CCN(CC1)c1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_97700477	389.515	FBJGGMWJNZLVLT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119426
COCCN1C(=O)C[C@@H](CNCc2nc3c(s2)CCC3)[C@@H]1c1cnn(C)c1	EMOLS-id_316077028,MCULE-3809205396,ZINC22_328619922	389.515	GLCZHCYOMZHFJU-ORAYPTAESA-N	00000010100000000001100010000000000000000000000000000000	25-01-119427
O=C(N1CCN(CC1)Cc1oc(c(n1)C)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002064	389.515	GBWAWRDBLAZMOW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119428
Cc1scc(n1)CN1CCCN(CC1)C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318306515	389.518	COUSEKJPQRZWHN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-119429
CN=C(NCc1nnc2n1CCC2)NCC(c1cccs1)N1CCOCC1	PC-id_111020349	389.518	HQXZMPYFUQNSTR-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-119430
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1snc(n1)CC	PC-id_109526761	389.522	MJCAFEFKHBXJLG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119431
s1c2c(c(C[NH+]3CC[NH+](CC3)CC)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_4395050	389.53	YXQIFCNSTZPGKB-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-119432
CCOC(=O)c1c(NC(=O)CCSc2ccc(C)cc2)sc2c1CCC2	PC-id_7545269,ZINC22_5191186	389.532	DLAHWTNCQPXORP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119433
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)sc2c1CCC2	ZINC22_20242019	389.532	KBEUEQKHIFRYQV-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119434
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(C)cc2)sc2c1CCC2	ZINC22_20242021	389.532	KBEUEQKHIFRYQV-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119435
CCOC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CCC2	ZINC22_103795348	389.532	VXMZGZHCVXCRCN-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119436
CCOC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCC2	ZINC22_103795355	389.532	VXMZGZHCVXCRCN-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119437
CCOC(=O)c1c(NC(=O)CSCc2ccccc2C)sc2c1CCC2	PC-id_7254617,ZINC22_4496550	389.532	IBRNUFQSAXAKQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119438
CCOC(=O)c1c(NC(=O)CSCc2ccc(C)cc2)sc2c1CCC2	ZINC22_408574644	389.532	BAFXRVBTSJPEON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119439
COC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CCC2	ZINC22_408574786	389.532	DDWRKLIBFHNEJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119440
s1c2c(CCC2)c(c1NC(=O)c1ccc(SC(C)C)cc1)C(=O)OCC	PC-id_41147421	389.532	KGHCAMBSPQTLHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119441
s1c2c(CCC2)c(c1NC(=O)c1cc(SC(C)C)ccc1)C(=O)OCC	PC-id_8701030	389.532	PIOQFAMRYZGYPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119442
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SCC)cc1)C(=O)OCC	PC-id_41126620	389.532	YFCLNVOYAGYIIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119443
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)OC	PC-id_16838785	389.532	KBFJDBYDODEQJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119444
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(cc1)C)C(=O)OC	PC-id_41086147	389.532	YDMZMXWDMCGJEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119445
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccccc1)C(=O)OCC	PC-id_41085820	389.532	MDIICLNIBYLAKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119446
s1c2c(CCC2)c(c1NC(=O)CCCSCc1ccccc1)C(=O)OC	PC-id_41580420	389.532	OFIKYIUZNVIVQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119447
s1c2c(CCC2)c(c1NC(=O)CSc1cc(c(cc1)C)C)C(=O)OCC	PC-id_16543230	389.532	ZGHLGSXYHLJPAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119448
s1c2c(CCC2)c(c1NC(=O)C(Sc1ccc(cc1)C)C)C(=O)OCC	PC-id_23848367	389.532	KBEUEQKHIFRYQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119449
s1c2c(CCC2)c(c1NC(=O)C(SCc1ccccc1)C)C(=O)OCC	PC-id_24052432	389.532	VXMZGZHCVXCRCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119450
c1(c2CCCc2[nH]n1)C(=O)N1CCN(C(CCO)C1)C1CCN(CC1)C(C)C	MCULE-9862789712,EMOLS-id_43081191,PC-id_70719304	389.535	AROFUNHIEQUBTF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119451
CC(C)CCN(C1CCN(CC1)C(=O)C)C(=O)c1cc2C[C@@H](Cn2n1)N(C)C	EMOLS-id_316329781,MCULE-4955823546	389.535	PNJLNJGDNZDFGX-IBGZPJMESA-N	00000010100010000001000010000000000000000000000000000000	25-01-119452
CC(CCN(C(=O)c1nn2c(c1)CC(C2)N(C)C)C1CCN(CC1)C(=O)C)C	MCULE-8760884157	389.535	PNJLNJGDNZDFGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119453
CC(C)N1CCC(N2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2CCO)CC1	PC-id_95861589,ZINC22_72408774	389.535	AROFUNHIEQUBTF-QGZVFWFLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119454
CC(C)N1CCC(N2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]2CCO)CC1	ZINC22_72408773,PC-id_95861588	389.535	AROFUNHIEQUBTF-KRWDZBQOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119455
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2C)C	PC-id_117997520,SCHEMBL16622329	389.535	PKQRDJHUGCVTOX-CABCVRRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-119456
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@H]1c1cccs1	CoCoCo_4228182,ZINC22_239284753,CoCoCo_4228184	389.535	BZRACGCDWLJXBO-AAEUAGOBSA-N	00000010100100000000100010000000000000000000000000000000	25-01-119457
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@@H]1c1cccs1	CoCoCo_4228187,CoCoCo_4228185,ZINC22_8185982,PC-id_11939082	389.535	BZRACGCDWLJXBO-DGCLKSJQSA-N	00000010100100000000100010000000000000000000000000000000	25-01-119458
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@H]1c1cccs1	ZINC22_239284754,CoCoCo_4228186,CoCoCo_4228188	389.535	BZRACGCDWLJXBO-YPMHNXCESA-N	00000010100100000000100010000000000000000000000000000000	25-01-119459
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC[C@@H]1c1cccs1	ZINC22_8185976,PC-id_11939080,CoCoCo_4228183,CoCoCo_4228181	389.535	BZRACGCDWLJXBO-WCQYABFASA-N	00000010100100000000100010000000000000000000000000000000	25-01-119460
CC(N1CCCC1c1cccs1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-5162027126,EMOLS-id_3632380,PC-id_16341539	389.535	BZRACGCDWLJXBO-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-119461
CC(=O)N1CCCCC1c1cc(c(s1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_145986562	389.535	LEDDWEUZAMKWIO-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-119462
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCCC1)N1CCOCC1	PC-id_111004319	389.538	LYSWQEABTOWPSM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119463
O=C(N1CCN(CC1)C1CCN(CC1)C(C)C)NC(c1nnc2n1CCC2)C	EMOLS-id_100866090	389.538	RQDIPGWBFADKEX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119464
CC1CCC(CC1)NC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_98270841	389.555	FNZKGXIXNSZVBJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119465
CC1CCCC(C1)NC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_98804669	389.555	DKMPXYPALUXYML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119466
CC1CC(C)CN(C1)C(=O)CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_11966790,MCULE-9517355705,PC-id_17420771	389.555	TWLSQSILTVAPSP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119467
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)C1	CoCoCo_4292964,ZINC22_12689165,PC-id_25439715	389.555	TWLSQSILTVAPSP-HZPDHXFCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119468
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)C1	CoCoCo_4292965,ZINC22_12689172,PC-id_25439720	389.555	TWLSQSILTVAPSP-IYBDPMFKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119469
C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)C1	CoCoCo_4292966,ZINC22_35269401,PC-id_40808721	389.555	TWLSQSILTVAPSP-HOTGVXAUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119470
O=C(C1CCC(CC1)NC(=O)C1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102180243	389.555	ANMIUQQISLPWBJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119471
S1N(C(N)c2c1csc2)CCCOc1ccc(CN2CCCCC2)cc1	PC-id_57035999	389.578	GXBJCTOZROHIPE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119472
S1N(C(N)c2c1csc2)CCCOc1cc(CN2CCCCC2)ccc1	PC-id_57164308	389.578	YFJRLNXZWVZQLT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119473
S1N(C(N)c2sccc12)CCCOc1cc(CN2CCCCC2)ccc1	PC-id_57111581	389.578	HRXQXUSNTYLCGX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119474
s1c(nc2c1CCC2)CN1CCN(C(=O)C2CCC(CC2)CCCC)CC1	PC-id_44060341	389.598	MPEAGRFBXWQMAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119475
Clc1sc2c(c1)C(CC2)Nc1cccc(c1C)I	PC-id_114256864	389.682	KGNAIDQFRASZSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119476
Ic1cc(c(NC2CCc3sc(Cl)cc23)cc1)C	PC-id_81251604	389.682	SMAGJFBKVNFILH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119477
Ic1cc(NC2CCc3sc(Cl)cc23)ccc1C	PC-id_81251412	389.682	JGROCYNGMOSYSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119478
CN(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324907023	389.687	GKNPPRWBBBVDFD-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119479
n12c(=O)c(=Cc3ccc(cc3)N(C)C)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5967134994	389.687	GKNPPRWBBBVDFD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119480
Clc1sc(cc1Br)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_102843078	389.761	YTQMKYRGRBPVEB-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-119481
COC(=O)C(=O)c1c2CCCn2c(c1Cl)C(=O)Nc1ccc(c(c1)C#N)F	PC-id_134303018,SCHEMBL19920738	389.765	AIDJKZDCEUXAGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119482
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC(C)Cn2cc(cn2)Cl)n1	PC-id_19591000,EMOLS-id_8867501,TIMTEC245818,MCULE-6132494939	389.803	JQALCEHIKYJSFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119483
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCCn2c(C)c(c(C)n2)Cl)n1	TIMTEC470679,PC-id_19591167,ZINC22_20607520,EMOLS-id_8867872,MCULE-8009759167	389.803	UAQHOLPPQCSRCA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119484
C[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cn1cc(Cl)cn1	PC-id_29092460,ZINC22_20607544	389.803	JQALCEHIKYJSFL-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119485
C[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cn1cc(Cl)cn1	ZINC22_20607543,PC-id_29092459	389.803	JQALCEHIKYJSFL-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-119486
Fc1ccc(Cc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324836607	389.806	TZKHSTCQIIPDCX-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119487
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)Cc1ccc(F)cc1	MCULE-2413984784	389.806	TZKHSTCQIIPDCX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119488
CCCCc1c(C(=O)c2ccccc2)n2c(c1Cl)C(CC2)(C(=O)O)C(=O)O	PC-id_20404995,SCHEMBL11004591	389.829	HUBMWBNKADBIDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119489
CCOC(=O)c1cccc(c1)C(=O)c1c(CC)c(c2n1CCC2C(=O)O)Cl	PC-id_20404982,SCHEMBL11004665	389.829	MARMMOOEYRZZAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119490
Clc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1C)C(=O)c1ccc(cc1)C	SCHEMBL11261131,PC-id_54314864	389.829	SNLSPUIIAMKOFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119491
ClC(=O)c1n2c(C(CC2)C(=O)OC)c(c1CCc1ccccc1)C(=O)OC	PC-id_21785787	389.829	JDLZZESPGAVWPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119492
c1(NC(=O)C2CC(=NO2)c2c(cccc2F)Cl)sc2c(CCC2)c1C#N	EMOLS-id_1513069,BindingDB_PC-id_3158051,BAS-09528777,MCULE-1228883950,BindingDB-id_207286,TIMTEC552209,PC-id_3158051,CHEMBL1569927	389.831	XNRWMRHPSWXMEG-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-119493
N#Cc1c(NC(=O)[C@H]2CC(=NO2)c2c(F)cccc2Cl)sc2c1CCC2	CoCoCo_380407,PC-id_1093605,ZINC22_814892	389.831	XNRWMRHPSWXMEG-CQSZACIVSA-N	00000011100000110001100010000000000000000000000000000000	25-01-119494
N#Cc1c(NC(=O)[C@@H]2CC(=NO2)c2c(F)cccc2Cl)sc2c1CCC2	CoCoCo_380408,PC-id_7259867,ZINC22_4504784	389.831	XNRWMRHPSWXMEG-AWEZNQCLSA-N	00000011100000110001100010000000000000000000000000000000	25-01-119495
C1Cc2c(c(c(n2C1)C(=O)Nc1ccc(cc1)Cl)N=Cc1cnccc1)C#N	BindingDB_PC-id_137641244,PC-id_137641244	389.838	GEHHXAYNLIDWML-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-119496
Clc1ccc(cc1)C(=O)c1c(NC(=O)C2=COCCO2)sc2c1CCC2	PC-id_112818832	389.853	KCEPTSGSOLIZSO-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-119497
Clc1cc(SC(F)C(=O)OC)c(/N=c/2sc(=O)n3n2CCC3)cc1	PC-id_54359621	389.853	ULOTVPPEGVEKHA-LGMDPLHJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119498
Clc1c(SCC(=O)OC)cc(/N=c/2sc(=O)n3n2CCC3)c(F)c1	PC-id_21458567	389.853	AFLRWCNMSHVARS-LGMDPLHJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119499
COC(=O)CSc1cc(/N=c/sc(=O)n3n2CCC3)c(cc1Cl)F	SCHEMBL9048292	389.853	AFLRWCNMSHVARS-GHRIWEEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-119500
COC(=O)CSc1cc(N=c2sc(=O)n3n2CCC3)c(cc1Cl)F	SCHEMBL9048297	389.853	AFLRWCNMSHVARS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119501
Fc1cccc(c1/C=c/1sc2n(c1=O)nc(n2)/C=C/c1cccs1)Cl	EMOLS-id_206997406,ZINC22_5278135,STOCK4S-83914	389.854	KFHNSGCQVFBZBT-XQZMZFSGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-119502
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)C=Cc1cccs1	MCULE-3687041224	389.854	KFHNSGCQVFBZBT-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-119503
Clc1c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(c1)C#N	PC-id_84997404	389.856	PALBEIBXRXXNHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119504
Clc1c(O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(c1)C#N	PC-id_9384006	389.856	PALBEIBXRXXNHO-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-119505
Clc1c(O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(c1)C#N	PC-id_9384007	389.856	PALBEIBXRXXNHO-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119506
Clc1nc(cc(c1C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C)C	PC-id_8510773	389.856	UQGYFLKOIOYIKZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119507
NC(=O)NC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CCC2	PC-id_92046514	389.856	VYZDHDWYXSQBIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119508
O=C(NCc1nnc2n1CCC2)c1csc(COc2ccc(Cl)cc2)n1	ZINC22_32906580,MCULE-8969230001,CoCoCo_4658176,EMOLS-id_24083980,PC-id_40143092	389.859	CRRUHXMAAOHDED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119509
CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NCCc1nnc2n1CCC2	ZINC22_95461154,EMOLS-id_48318544,PC-id_75400202,MCULE-4831195506	389.879	XPOUKUHELSXBJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119510
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1cccc(Cl)n1)C2	ZINC22_1565554828,EMOLS-id_313734612	389.879	GRDMSEJCRZQSBQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-119511
C[C@@H]1C[C@H](NC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c2ncnn12	ZINC22_665594748	389.879	LGWCERBGSQEGOW-ACWOFJMJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119512
C[C@@H]1C[C@H](NC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)c2ncnn12	ZINC22_665594749	389.879	LGWCERBGSQEGOW-AZOIQLNYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119513
C[C@@H]1C[C@@H](NC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)c2ncnn12	ZINC22_665594750	389.879	LGWCERBGSQEGOW-NRXGSXMXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119514
C[C@@H]1C[C@@H](NC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c2ncnn12	ZINC22_665594751	389.879	LGWCERBGSQEGOW-VVFCZOMOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119515
Clc1cc(ccc1NCCN1CCOCC1)C(=O)NC1CCn2c1ncc2	EMOLS-id_258088675,MCULE-8230368781	389.879	KLWSAIJLFFOHBT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119516
O=C(N1Cc2c(C1)cnn2C)c1ccc(c(c1)Cl)NCCN1CCOCC1	EMOLS-id_278848739	389.879	JFGABWMBGRWZAR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119517
BrC1C(N)c2c(C1=O)c(Br)sc2Br	PC-id_499345	389.89	UNMZOEWRNJQSET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119518
Brc1sc(c2c1C(=O)[C@H]([C@H]2N)Br)Br	CoCoCo_5737816	389.89	UNMZOEWRNJQSET-IMJSIDKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119519
Brc1sc(c2c1C(=O)[C@@H]([C@@H]2N)Br)Br	CoCoCo_5737817	389.89	UNMZOEWRNJQSET-QWWZWVQMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119520
Brc1sc(c2c1C(=O)[C@@H]([C@H]2N)Br)Br	CoCoCo_5737818	389.89	UNMZOEWRNJQSET-DMTCNVIQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119521
Brc1sc(c2c1C(=O)[C@H]([C@@H]2N)Br)Br	PC-id_5468509,CoCoCo_5737815	389.89	UNMZOEWRNJQSET-IUYQGCFVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119522
C1(c2ccccc2Cl)CC1C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-7327080871,EMOLS-id_327959785	389.896	JAKMXOQPJOGHGV-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-119523
Clc1ccc(C(=O)N2CC(CCC2)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_51233095	389.899	ZWRFEMPOONULEG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119524
Clc1ccc(C(=O)N2C[C@@H](CCC2)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_33039652	389.899	ZWRFEMPOONULEG-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119525
Clc1ccc(C(=O)N2C[C@H](CCC2)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_33039655	389.899	ZWRFEMPOONULEG-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119526
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCCCC4)c3n2)cc1	PC-id_16947339	389.899	AYPAOZYYPMZLIA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119527
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)NC4CCCC4)c3n2)cc1	PC-id_16947366	389.899	WLVDJLZITAXSPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119528
Clc1cc(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)c(OC)cc1	PC-id_9136597	389.899	CMAIJVDRVYVYHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119529
Clc1ccc(OCCN(CC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_4824879	389.899	OJYMLGUZFZDDQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119530
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)CCC1CCCCC1	MCULE-4203341607	389.899	QMSQUDMPRGXDAO-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-119531
Oc1ccc(Cl)cc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324906506	389.899	QMSQUDMPRGXDAO-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-119532
Clc1ccc(cc1)C(N1CCOC(C1)(C)C)CNC1CC(n2c1ncn2)C	EMOLS-id_279082756	389.922	DNUJXCFALAHCHM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119533
Clc1c(CCC(=O)NC(=S)Nc2sc3CCCc3c2C#N)cccc1	PC-id_17179401	389.922	UUBRGRGJIJTROI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119534
Brc1sc(Br)c2C(F)(F)C(F)(F)C(F)(F)c12	SCHEMBL75739,PC-id_59787516	389.938	DKQVUHZXAHSRPB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119535
C1CC2=C(C1)SC(=C2C(=O)C3=CC(=CC=C3)Cl)NC(=O)CSCC#N	PC-id_154799448	390.026	XBFODKTZWMSQGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119536
O=C(NC1CCn2c1ncc2)Cn1nc(c(n1)Br)Br	MCULE-2503830792,EMOLS-id_258088678	390.034	VFCQSVNDWREBHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119537
C1CC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Cl)NC(=O)C=CC(=O)O	SCHEMBL20340254,PC-id_153280777	390.044	ZESHGHJZPWLRMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119538
Brc1cc(oc1Br)CNC(c1n2CCCc2nn1)C	PC-id_62084316	390.074	HMGZDAGGQRSVRF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-119539
Brc1sc(Br)c2C(=O)C(CC=C)(CC=C)C(=O)c12	SCHEMBL3435273,PC-id_68641765	390.09	WOASXJOAKCXDQA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119540
BrC(c1sc2c(CCC2)c1)c1cc(Br)c(F)cc1	PC-id_79742514	390.109	QYZJVHZXTSFAIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119541
CC1=CC=C(C=C1)C(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)C(=O)O	PC-id_165180354	390.133	VTIDVNFQKHQCOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119542
C1C=C2C(=C1)NC=C2CC(C(=O)C(=O)N)NC(=O)C3=CN=CN3C4=CC=CC=N4	PC-id_160665910	390.144	RMHGWORAOZRCJD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-119543
CCOC(=O)c1nn2[C@@H](C[C@H](c2n1)OC(=O)c1ccc(cc1)[NH+](O)[O-])C(C)C	PC-id_163569161	390.154	FXTMQBITVVROLL-UONOGXRCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119544
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)NCCC4=CC(=C(C=C4)O)O	PC-id_153587547	390.158	NAMLYMVMFDNDSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119545
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3)C(=NOC4CCSCC4)N)F	PC-id_154011380	390.176	AHCZXVJOJQNCNH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119546
O=C(c1c(Br)nc2n1CCC2)NCCS(=O)(=O)C(F)(F)F	EMOLS-id_278439169	390.177	MARWRTXBRUVWDO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119547
CN(C)C1=CC=CC(=C1)C(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N	PC-id_165180355	390.18	GXQXGWDFLOIKLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119548
c1(c2CCCc2sc1N)C(=O)c1ccc(cc1Br)C(F)(F)F	MCULE-9996789347,PC-id_86775263,EMOLS-id_49432647	390.218	APEWQMVOPGGYTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119549
Brc1cncc(c1)C(=O)N1Cc2c(C1)n(nc2C(=O)NC1CC1)C	EMOLS-id_207862911,MCULE-4915511068	390.235	FIBCJPOETFHFOE-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-119550
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)COCC1CCCO1	EMOLS-id_316552044	390.25	RKXFGJBJZJMDKH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119551
N#Cc1c(NC(=O)C2(CC2)c2cncc(c2)Br)nc2n1CCS2	EMOLS-id_99308345	390.258	MCTLKZIFKUKVDM-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-119552
O=C(Nc1ccc(n2cncn2)cc1)c1sc2c(c1Br)CNC2	ZINC22_2325856409	390.258	OOORWNBPJHBCIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119553
Brc1c2n(CCC2C(=O)O)c(c1CCCC)C(=O)c1ccccc1	PC-id_20405015,SCHEMBL11001692	390.271	GXHGVPAJCJWGDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119554
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)O)cc2CCCC)cc1	SCHEMBL11601458,PC-id_20351631	390.271	XSMVFKUDGFTUAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119555
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2C)cc1	SCHEMBL11602490,PC-id_20351665	390.271	KAVHNIXVMQCIQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119556
Brc1cc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2C)ccc1	SCHEMBL11602440,PC-id_20351594	390.271	OCXWKOSCCHBFSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119557
O=C(NC1(c2cccc(Br)c2)CCOCC1)c1occ2c1CCC2	ZINC22_671672757,PC-id_138997131,MCULE-3161539929,EMOLS-id_320318458	390.271	MILXFHWIVAKHLJ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-119558
Brc1cccc(c1)C1(CCOCC1)NC(=O)c1cnn2c1CCC2	EMOLS-id_318231152	390.274	DFNXVFFMJRWDAA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119559
O=C(N=c1cc2n([nH]1)CCC2)C1(c2ccc(Br)cc2)CCOCC1	MCULE-9503264236,ZINC22_1857530821,EMOLS-id_324063855,PC-id_146105918	390.274	FHUYAESSDNJVIV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119560
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c(nc1)NN	PC-id_61512089	390.279	ILCRSWSBIRWITI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-119561
Brc1ccc(c(c1)F)S(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_116528208	390.291	BAWHGLHVQPDCQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119562
Brc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)ccc(F)c1	PC-id_61208977	390.291	OJLWRHLMPCGCQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119563
Fc1cc(ccc1Br)S(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_103697504	390.291	XCAGPJDOOJJPLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119564
CC(CCOC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C)C	EMOLS-id_316551532	390.293	CHLGYSVXEFOBAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119565
c1(NC(=O)c2cc(sc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22706860,CoCoCo_5009770,PC-id_4087523,MCULE-8099399633,ZINC22_4173496	390.305	QNXZWBCQBRLQGE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119566
n1(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)nc(cc1C(F)F)C(F)F	PC-id_3257012,TIMTEC431719,CoCoCo_5809081,ZINC22_2785198,MCULE-2153724504,EMOLS-id_4068126	390.356	RPLUBJBGCSUNRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119567
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C(=O)N	MCULE-6175257601,PC-id_19174898	390.371	MPARMTHCFUSXOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119568
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NC	MCULE-1479077932,PC-id_16833753,EMOLS-id_334334929	390.371	LCDXFVMJVQKMMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119569
Fc1cc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)[C@@H]2OCCC2)(C)C)ccc1F	PC-id_10000454	390.384	ZPYLZWYPAQJMMP-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119570
Fc1ccc(cc1F)C(=O)N[C@H]1CN[C@@H](C1)C(=O)NCc1nnc2CCCn12	EMOLS-id_36456167,PC-id_56717889,MCULE-8271751192,ZINC22_67867640	390.387	ACYTZMNJISAEKP-RISCZKNCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119571
Fc1cc(C(=O)NC2CC(NC2)C(=O)NCc2n3CCCc3nn2)ccc1F	PC-id_76406166	390.387	ACYTZMNJISAEKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119572
c1(C(=O)O)c(NCc2cn3c(SCC3)n2)noc1c1ccc(c(OC)c1)F	PC-id_135114386,EMOLS-id_317369773,MCULE-8588007863,ZINC22_1704325512	390.389	JRPQJUCCLIHEPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119573
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1ccc(cc1)C(F)(F)F	MCULE-8721695702,EMOLS-id_16730552,PC-id_8474209,CoCoCo_3532726	390.401	JWVSSXZXROBNCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119574
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1cccc(c1)C(F)(F)F	PC-id_8473979,MCULE-9284299129,EMOLS-id_16808379,CoCoCo_3532690	390.401	HQTXSVVYIYXXQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119575
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1ccccc1C(F)(F)F	PC-id_8474000,EMOLS-id_17222970,CoCoCo_3532691,MCULE-4637882563	390.401	LXHOUSXCQWJMGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119576
Cc1nn(c(c1)C)c1ccc(c(c1)C(F)(F)F)CNC1CC(n2c1ncn2)C	EMOLS-id_279082247	390.405	XRMXJUXUOLSCTD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119577
n12N=C(C(C)(C)C)/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncncn3)/c1nc(n2)C	PC-id_58113672	390.405	UDRWQXHIRUYOCG-FMCGGJTJSA-N	00000011100000100001100010000000000000000000000000000000	25-01-119578
n12N=C(C(C)(C)C)/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ncncn3)/c1nnc2C	PC-id_58090606	390.405	JUQXMZGBGPLXRB-FMCGGJTJSA-N	00000011100000100001100010000000000000000000000000000000	25-01-119579
n12N=C(C(C)(C)C)C(=NNc3n(nc(c3[N+]#[C-])C)c3ncncn3)c1nnc2C	PC-id_76663832	390.405	JUQXMZGBGPLXRB-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-119580
Fc1ccc(c(c1)F)[C@]([C@H](N1Cc2c(C1=O)scc2)C)(Cn1cncn1)O	PC-id_141459151	390.407	HTOVCGZNBMOPMM-ADLMAVQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119581
c1(N=Cc2cc(OC)cc(N(=O)=O)c2O)sc2c(CCC2)c1C(=O)OCC	MCULE-7976854447	390.41	SCXBKTDHMIXQGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119582
c1(NC(=O)COc2ccc(cc2C)N(=O)=O)sc2c(CCC2)c1C(=O)OC	PC-id_2072514,MCULE-9593733840	390.41	JHQUOMIRKAOBBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119583
c1(NC(=O)COc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-6507802762,ZINC22_1891907,CoCoCo_1695335,ChEMBL-DNDi_CHEMBL2279-1369,EMOLS-id_1851858,PC-id_1631142	390.41	GWYWXWPQDGMOHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119584
c1(NC(=O)COc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	PC-id_1180599,CoCoCo_1673911,ChEMBL-DNDi_CHEMBL1683-0639,ZINC22_939153,EMOLS-id_1852886,MCULE-9536238110	390.41	IABRMYOFCKXXNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119585
c1(NC(=O)COc2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)OC	PC-id_1406859,MCULE-1151919930	390.41	HTAZVLMJPYBPHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119586
c1(NC(=O)COc2ccc(C)cc2N(=O)=O)sc2c(CCC2)c1C(=O)OC	ZINC22_6690869,CoCoCo_540336,MCULE-1844345030,PC-id_6456640,EMOLS-id_2496151,TIMTEC588165	390.41	ZBUZNCHXOWGVAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119587
CCOc1c(cc(cc1)C(CC(=O)NO)N1C(=O)c2cscc2C1=O)OC	PC-id_87463987,SCHEMBL2999088	390.41	OJJAYGSKYACXRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119588
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(OC)cc(c1O)[N+](=O)[O-]	STOCK1S-76299,CoCoCo_6877974,PC-id_135437631,EMOLS-id_26256929,ZINC22_722036,SPECS-id_AE-848/33203058	390.41	SCXBKTDHMIXQGE-DJKKODMXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119589
CCOC(=O)c1c(/N=Cc2cc(OC)cc(c2O)[N+](=O)[O-])sc2c1CCC2	CoCoCo_6877975	390.41	SCXBKTDHMIXQGE-OCKHKDLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119590
CCOC(=O)c1c(NC(=O)c2ccc(OC)c(c2)[N+](=O)[O-])sc2CCCc12	MCULE-5806896383,EMOLS-id_328063130	390.41	FMWVUVPXIMLBOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119591
COc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2csc(c2C1=O)N)OC	SCHEMBL15015444,PC-id_89617329	390.41	UBXFEDAUYSEHEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119592
COc1ccc(cc1NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C)[N+](=O)[O-]	EMOLS-id_15238675,MCULE-9889960664,PC-id_4040608	390.41	CNCNSVNMIGYLDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119593
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_25028483,PC-id_42895499,MCULE-7884113265	390.41	UIDJLIAMGSUKPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119594
COc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1O	CHEMBL1476707,MCULE-2973019735,CoCoCo_2833957,PC-id_8108859,ChEMBL-DNDi_CHEMBL1476707,ZINC22_6898078,BindingDB_PC-id_8108859,EMOLS-id_11704794,BindingDB-id_116049	390.41	DUQQYRKRLRFGFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119595
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(O)c1	ZINC22_7396445,EMOLS-id_35678806,PC-id_8492024,MCULE-3247267410	390.41	SPDUSXLKILVEDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119596
COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)c([N+](=O)[O-])c1	ZINC22_7257658,CoCoCo_4174570,PC-id_8359035	390.41	UIDJLIAMGSUKPS-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-119597
COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)c([N+](=O)[O-])c1	ZINC22_7257671,PC-id_8359050,CoCoCo_4174571	390.41	UIDJLIAMGSUKPS-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119598
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2	CoCoCo_2840724,PC-id_2539725,ZINC22_3420494	390.41	CNCNSVNMIGYLDY-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119599
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2	ZINC22_3420492,PC-id_2539723,CoCoCo_2840725	390.41	CNCNSVNMIGYLDY-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-119600
OC[C@@H](C(=O)N[C@@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)OCc1ccccc1	CoCoCo_5718819	390.41	ZFZRRDNJQBHBJQ-BFHYXJOUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119601
OC[C@H](C(=O)N[C@@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)OCc1ccccc1	CoCoCo_5718820	390.41	ZFZRRDNJQBHBJQ-MGPQQGTHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119602
OC[C@@H](C(=O)N[C@@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)OCc1ccccc1	CoCoCo_5718821	390.41	ZFZRRDNJQBHBJQ-MJBXVCDLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119603
OC[C@H](C(=O)N[C@@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)OCc1ccccc1	CoCoCo_5718822	390.41	ZFZRRDNJQBHBJQ-MCIONIFRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119604
OC[C@@H](C(=O)N[C@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)OCc1ccccc1	CoCoCo_5718823	390.41	ZFZRRDNJQBHBJQ-MELADBBJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119605
OC[C@H](C(=O)N[C@H]1c2ccsc2C(=O)[C@@H]1O)NC(=O)OCc1ccccc1	CoCoCo_5718824	390.41	ZFZRRDNJQBHBJQ-HZSPNIEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119606
OC[C@@H](C(=O)N[C@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)OCc1ccccc1	CoCoCo_5718825	390.41	ZFZRRDNJQBHBJQ-IHRRRGAJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119607
OC[C@H](C(=O)N[C@H]1c2ccsc2C(=O)[C@H]1O)NC(=O)OCc1ccccc1	NSC655066,CoCoCo_5718818	390.41	ZFZRRDNJQBHBJQ-RDBSUJKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119608
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cc([N+](=O)[O-])c(OC)c1)C	PC-id_7291971	390.41	LYGKTZMNLSOCQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119609
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(OCC)cc1	PC-id_45637980	390.41	LUSOBGZULLYVIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119610
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(OC)cc([N+](=O)[O-])cc1)C	PC-id_78514069	390.41	BBDJDYYQQDDDRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119611
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC)cc([N+](=O)[O-])cc1)C	PC-id_7623762	390.41	BBDJDYYQQDDDRX-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-119612
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC)cc([N+](=O)[O-])cc1)C	PC-id_7623764	390.41	BBDJDYYQQDDDRX-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119613
s1c2CCCc2c(c1N=Cc1c([N+](=O)[O-])cc(OC)c(OC)c1)C(=O)OC	PC-id_23931200	390.41	BJBNVTFRULWYCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119614
s1c2c(CCC2)c(c1N/C=C
/C(=O)C(=CC(=C1)OC)[N+](=O)[O-])C(=O)OCC	PC-id_5436734	390.41	FDAXBLGCXXGUNJ-MDZDMXLPSA-N	00000010100011000000000010000000000000000000000000000000	25-01-119615
s1c2c(CCC2)c(c1N/C=C/1C(=O)C(=CC(=C1)OC)[N+](=O)[O-])C(=O)OCC	PC-id_6504444	390.41	FDAXBLGCXXGUNJ-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-119616
s1c2c(CCC2)c(c1NC=C1C(=O)C(=CC(=C1)OC)[N+](=O)[O-])C(=O)OCC	PC-id_6750432	390.41	FDAXBLGCXXGUNJ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-119617
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_4951239	390.41	SBKZCOGDHSCIML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119618
s1c2c(CCC2)c(c1NC(=O)COc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_7864961	390.41	ZJBUKACFZBTSJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119619
s1c2c(CCC2)c(c1NC(=O)C(Oc1c([N+](=O)[O-])cccc1)C)C(=O)OC	PC-id_4943739	390.41	UDMDPRKYEHCJPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119620
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1C=CC=NC1=O)C(=O)OCC	PC-id_78338882	390.41	NQOJBHYXPFEFDG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-119621
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cc(=O)oc1C)C)C(=O)N	PC-id_33272217	390.41	OQTXJYPIQNSWII-UHFFFAOYSA-N	00000010100000100000000010000000000000000000000000000000	25-01-119622
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc[n+]([O-])cc1)C(=O)OCC	PC-id_8791760	390.41	SEXFACRZYFEBAM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119623
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)ccc1O)C(=O)N	PC-id_32036150	390.41	HRIRQTOYZUMRSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119624
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(=O)[nH]ccc1)C(=O)OCC	PC-id_3995624	390.41	RZLBBYUMWVWOCR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119625
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[n+]([O-])cccc1)C(=O)OCC	PC-id_7774242	390.41	QZNQZOOXUGNTBY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119626
s1c2c([C@H](NC(=O)C(N(Cc3ccccc3)C(=O)O)CO)[C@H](O)C2=O)cc1	PC-id_57368595	390.41	NEJOJHCHHQHKJL-TTZKSVMKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119627
s1c2c([C@H](NC(=O)C(NC(=O)OCc3ccccc3)CO)[C@H](O)C2=O)cc1	PC-id_375394	390.41	ZFZRRDNJQBHBJQ-TTZKSVMKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119628
s1c2c(C(NC(=O)C(N(Cc3ccccc3)C(=O)O)CO)C(O)C2=O)cc1	PC-id_76521879	390.41	NEJOJHCHHQHKJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119629
s1c2c(C(NC(=O)C(NC(=O)OCc3ccccc3)CO)C(O)C2=O)cc1	PC-id_495437	390.41	ZFZRRDNJQBHBJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119630
c12c(CCC1C(=O)OCC)sc(NC(=O)CNC(=O)c1ccc(=O)[nH]c1)n2	PC-id_49677593,EMOLS-id_30781489,MCULE-5590331341	390.414	OFQTZALZWQJSAZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-119631
CCC(CC)c1nc2s/c(=Cc3cc(OC)c(O)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324856545	390.414	NZJPHNUYADGBLG-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119632
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1coc(n1)NC(=O)C1CC1	PC-id_121110628	390.414	RITIMHJCIIBQHM-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-119633
CCOC(=O)c1c(NC(=O)COC(=O)c2nccnc2N)sc2c1CCC2	PC-id_2684835,ChEMBL-DNDi_CHEMBL1473614,CHEMBL1473614,MCULE-9757982560,CoCoCo_2900156,ZINC22_3567264,EMOLS-id_3492984	390.414	AEAKLJFJTHZFSS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119634
CCOC(=O)[C@@H]1CCc2sc(NC(=O)CNC(=O)c3ccc(=O)[nH]c3)nc12	PC-id_52177505,ZINC22_42384843	390.414	OFQTZALZWQJSAZ-SNVBAGLBSA-N	00000010100000101001000010000000000000000000000000000000	25-01-119635
CCOC(=O)[C@H]1CCc2sc(NC(=O)CNC(=O)c3ccc(=O)[nH]c3)nc12	ZINC22_42384846,PC-id_52177506	390.414	OFQTZALZWQJSAZ-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-119636
COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_2437492,EMOLS-id_15226767,MCULE-6739973679,CoCoCo_3368871,ZINC22_3322020	390.414	XCOUNXDDLZYRGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119637
n12c(=O)c(=Cc3cc(c(O)c(N(=O)=O)c3)OC)sc1nc(C(CC)CC)n2	MCULE-6347088292	390.414	NZJPHNUYADGBLG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119638
s1c2CCCc2cc1C(=O)NNC(=O)CNC(=O)CNC(=O)c1occc1	PC-id_24540855	390.414	CGRHAKVOBPXVNZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119639
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1c(nc(cc1)C)[N+](=O)[O-])C)C(=O)N	PC-id_8255983	390.414	MGUPKOCSKPQCFT-VIFPVBQESA-N	00000010100000101000000010000000000000000000000000000000	25-01-119640
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1c(nc(cc1)C)[N+](=O)[O-])C)C(=O)N	PC-id_8255991	390.414	MGUPKOCSKPQCFT-SECBINFHSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119641
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(nc(cc1)C)[N+](=O)[O-])C)C(=O)N	PC-id_78644594	390.414	MGUPKOCSKPQCFT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-119642
s1c2CCC(c2nc1NC(=O)CNC(=O)C1C=CC(=O)N=C1)C(=O)OCC	PC-id_75272175	390.414	AFTQYHSBPYTJOR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-119643
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324919811	390.415	UMECEGDVRGLCHZ-ATRNFBLSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119644
Cc1ccc(/C=C/c2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	ZINC22_16735434,EMOLS-id_26555539	390.415	OEKTTWCZHOQSGG-LWINHUFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119645
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1	ZINC22_4318633,EMOLS-id_26457303	390.415	JUXDRJBUHXGWJL-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-119646
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)C=Cc1ccc(cc1)C	MCULE-2699987099	390.415	JUXDRJBUHXGWJL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119647
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)C=Cc1ccc(cc1)C	MCULE-8018592660	390.415	UMECEGDVRGLCHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119648
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)C=Cc1ccc(cc1)C	MCULE-8907835101	390.415	OEKTTWCZHOQSGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119649
O=C(NC1CCCN(C1=O)CC(F)(F)F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005547	390.424	KFTBBHCZFKQQGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119650
C1(=O)C(CCCN1Cc1ccc(c(F)c1)F)(CNCc1c2CCCc2[nH]n1)O	MCULE-9873918248,PC-id_45203937,EMOLS-id_24857301	390.427	CKOUHVBKMZGBSK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119651
C1(=O)C(CCCN1Cc1cccc(F)c1F)(CNCc1c2CCCc2[nH]n1)O	PC-id_45204687,EMOLS-id_20549015,MCULE-8818697561	390.427	OZJJVMKQXRVQMM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119652
O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CNCc1n[nH]c2c1CCC2	PC-id_25286549,ZINC22_12446272,CoCoCo_1342178,CoCoCo_1342180	390.427	OZJJVMKQXRVQMM-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119653
O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CNCc1n[nH]c2c1CCC2	ZINC22_12446275,PC-id_25286551,CoCoCo_1342177,CoCoCo_1342179	390.427	OZJJVMKQXRVQMM-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119654
O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCc1n[nH]c2c1CCC2	CoCoCo_1337469,CoCoCo_1337471,PC-id_25286239,ZINC22_12445922	390.427	CKOUHVBKMZGBSK-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119655
O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCc1n[nH]c2c1CCC2	ZINC22_12445924,CoCoCo_1337468,PC-id_25286242,CoCoCo_1337470	390.427	CKOUHVBKMZGBSK-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119656
CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_4462436,MCULE-3531853941,PC-id_7238910,CoCoCo_2840919,EMOLS-id_13787695	390.429	DCPKIZQCXUPAHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119657
s1c2CCCc2cc1C(=O)OCC(=O)N(CCC(=O)N)c1ccc(F)cc1	PC-id_24526154	390.429	ZWEROOQBNSOEPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119658
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(F)cc1)C(=O)NC(=O)OCC	PC-id_7597357	390.429	JTSBUOQHMQCQCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119659
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(ccc(F)c1)C)C)C(=O)N	PC-id_37237854	390.429	OUZLQUZXHXOVKM-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119660
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(ccc(F)c1)C)C)C(=O)N	PC-id_37237855	390.429	OUZLQUZXHXOVKM-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-119661
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(F)c(cc1)C)C)C(=O)N	PC-id_9387289	390.429	MDJWOKSPGPXKLR-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-119662
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(F)c(cc1)C)C)C(=O)N	PC-id_9387290	390.429	MDJWOKSPGPXKLR-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119663
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1cc(F)ccc1)C)C(=O)N	PC-id_8560250	390.429	MORRYTUYJWKZJM-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-119664
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1c(F)cccc1)C)C(=O)N	PC-id_8958314	390.429	NHWRYEBXJRMMAQ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-119665
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1c(F)cccc1)C)C(=O)N	PC-id_8958317	390.429	NHWRYEBXJRMMAQ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119666
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(ccc(F)c1)C)C)C(=O)N	PC-id_74656057	390.429	OUZLQUZXHXOVKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119667
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(F)c(cc1)C)C)C(=O)N	PC-id_84998327	390.429	MDJWOKSPGPXKLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119668
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1cc(F)ccc1)C)C(=O)N	PC-id_78723993	390.429	MORRYTUYJWKZJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119669
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1c(F)cccc1)C)C(=O)N	PC-id_84883748	390.429	NHWRYEBXJRMMAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119670
s1c2c(CCC2)c(c1NC(=O)CON=Cc1cc(F)ccc1)C(=O)OCC	PC-id_7704560	390.429	IYAYXVUQPMEGHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119671
COc1ccc(C(=O)O)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328223856,MCULE-6234429729	390.432	XGXCNHDSXZOOBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119672
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)C(=O)O	EMOLS-id_328224626,MCULE-6013537433	390.432	OYIKTFFIJDKQCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119673
COc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1OC	EMOLS-id_31548254,PC-id_46861278,MCULE-6218695659	390.432	NQHUASCELTXJBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119674
COc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(OC)c1	PC-id_46861276,MCULE-8122480914,EMOLS-id_31548250	390.432	IXXBQRDQXKZFHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119675
COc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1OC	PC-id_52340406,ZINC22_51364455	390.432	NQHUASCELTXJBT-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119676
COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1OC	ZINC22_51364456,PC-id_52340407	390.432	NQHUASCELTXJBT-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119677
COc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(OC)c1	ZINC22_51364451,PC-id_52340402	390.432	IXXBQRDQXKZFHM-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119678
COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(OC)c1	ZINC22_51364452,PC-id_52340403	390.432	IXXBQRDQXKZFHM-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119679
COc1ccc(OC)c(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	MCULE-7256736295,PC-id_46861277,EMOLS-id_31548252	390.432	QWYMCHSKQLSUIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119680
COc1ccc(OC)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340404,ZINC22_51364453	390.432	QWYMCHSKQLSUIK-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119681
COc1ccc(OC)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364454,PC-id_52340405	390.432	QWYMCHSKQLSUIK-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119682
COc1cc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc(OC)c1	MCULE-9404291397,PC-id_46861279,EMOLS-id_31548256	390.432	MDIOOLGVOSSBHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119683
COc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc(OC)c1	PC-id_52340408,ZINC22_51364457	390.432	MDIOOLGVOSSBHS-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119684
COc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc(OC)c1	PC-id_52340409,ZINC22_51364458	390.432	MDIOOLGVOSSBHS-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-119685
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)COc3ccccc3)C2)n1	EMOLS-id_316333878,MCULE-9707899115	390.435	FZMPRMYPGLDUGD-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119686
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)COc3ccccc3)Cc12	EMOLS-id_316255223,MCULE-1871024742	390.435	DJQGOYYSKUWNIB-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119687
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)COc3ccccc3)Cc12	MCULE-3669780472	390.435	DJQGOYYSKUWNIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119688
Cc1nnc([C@@H]2CCCN2C(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)o1	ZINC22_1875299773	390.435	VIRWPOYLFXIIRL-APWZRJJASA-N	00000010100000110001100010000000000000000000000000000000	25-01-119689
Cc1nnc([C@@H]2CCCN2C(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)o1	ZINC22_1875299774	390.435	VIRWPOYLFXIIRL-LPHOPBHVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119690
C(=O)(c1c2CCCc2[nH]n1)NN=Cc1cc(OC)c(OCc2ccccc2)cc1	MCULE-9344872394,PC-id_2049000	390.435	GRPWWGNWNOGWCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119691
COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCC3)ccc1OCc1ccccc1	PC-id_6891456,SPECS-id_AT-225/NB41767	390.435	GRPWWGNWNOGWCE-YDZHTSKRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119692
O=C(NN=Cc1cc(OCc2ccccc2)c(OC)cc1)c1n[nH]c2CCCc12	PC-id_4331019	390.435	VFVVMGABCWSMFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119693
c1(NC(=O)CSc2nnc(c3ccco3)o2)sc2c(CCC2)c1C(=O)N	EMOLS-id_8860310,ZINC22_6926677,MCULE-6693776065,CoCoCo_6590767,PC-id_8115580	390.437	HHQHQZGKVAKXEP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-119694
c1(NC(=S)NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_4504951,MCULE-6801952414,ZINC22_6882740,TIMTEC295342	390.437	LTDBYKNSQAESGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119695
c1(NC(=S)NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_4504957,SPECS-id_AN-153/I261016,EMOLS-id_4068316,MCULE-9252205889,ZINC22_6883009,CoCoCo_6282463,SPECS-id_AM-879/J184205,TIMTEC339869	390.437	NQWILISGAXPKLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119696
c1(NC(=S)NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/I259218,ZINC22_6884450,PC-id_4504716,TIMTEC462555,EMOLS-id_4068314,CoCoCo_6648407,MCULE-2290522943	390.437	SXSZYRUUZWGXJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119697
s1c2c(CCC2)c(c1NC(=O)Cn1c(noc1=O)c1sccc1)C(=O)N	PC-id_47772041	390.437	NQZJSCWZNPBZNR-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-119698
c1(C(=O)N2CCN(CC2)c2ccccn2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316324156,MCULE-3431457006	390.438	MZWUTCXHRDWDIO-SFHVURJKSA-N	00000010100010101001100010000000000000000000000000000000	25-01-119699
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cc([nH]n2)C2CC2)n1	MCULE-5595625405	390.438	XNCATUKGBKPVFC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-119700
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(F)cc1)C)C(=O)OCC	PC-id_2700075	390.472	GAGIGXATHSUJLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119760
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cc([nH]n2)C2CC2)n1	EMOLS-id_316333362,MCULE-7443630550	390.438	XNCATUKGBKPVFC-HNNXBMFYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-119701
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cc([nH]n1)C1CC1	MCULE-1492626091	390.438	LODYCYNWOCNJQM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-119702
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cc([nH]n1)C1CC1	EMOLS-id_316321592,MCULE-1980654951	390.438	LODYCYNWOCNJQM-HNNXBMFYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-119703
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)N1CCN(CC1)c1ccccn1	MCULE-5549793166	390.438	MZWUTCXHRDWDIO-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-119704
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1nccnc1	PC-id_10200400,SCHEMBL2923429	390.438	LCGLKZVMDCDFJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119705
O=C(c1nc2c(o1)CN(Cc1cccnc1)C2)N1CCN(c2ccncc2)CC1	PC-id_97442822,ZINC22_96147298	390.438	CKDOCONPTMOLIC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-119706
O=C(NN1Cc2c(C1)n[nH]c2NC(=O)Cc1ccccc1)NCc1ccccc1	PC-id_10293768,SCHEMBL2921749	390.438	YNXSCRALQOSMTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119707
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1C[C@H](CCC1)C(F)(F)F)C)C(=O)N	PC-id_51707812	390.444	RGAVDKGZPNDWIC-UWVGGRQHSA-O	00000010100010000000000010000000000000000000000000000000	25-01-119708
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1C[C@H](CCC1)C(F)(F)F)C)C(=O)N	PC-id_51707814	390.444	RGAVDKGZPNDWIC-ZJUUUORDSA-O	00000010100010000000000010000000000000000000000000000000	25-01-119709
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CC(CCC1)C(F)(F)F)C)C(=O)N	PC-id_75748491	390.444	RGAVDKGZPNDWIC-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-119710
c1(NC(=O)CS(=O)CC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-1213236426,EMOLS-id_320646643	390.452	MOTWDJJPLFGJRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119711
s1c2CCCc2c(c1NC(=O)COC(=O)CSc1c(F)cccc1)C#N	PC-id_7676169	390.452	QSNCVCKGFIOXDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119712
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cc(OC)c(OC)cc1N	EMOLS-id_327975541,MCULE-2586281510	390.453	QCJJGCZMYDBRGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119713
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NC	MCULE-5304158162,PC-id_7474987,ChEMBL-DNDi_CHEMBLF1830-0024,ZINC22_5055687,EMOLS-id_16349101,CoCoCo_2590253	390.453	GSJYAYGCWUUMKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119714
c1(NC(=O)CC(C)CC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_17377542,MCULE-5222190986,EMOLS-id_4068354,TIMTEC570468	390.453	YIAIOXYVUYUQSW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119715
C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	CoCoCo_6828736,PC-id_27521468,ZINC22_17079635	390.453	YIAIOXYVUYUQSW-LLVKDONJSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119716
C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	PC-id_27521470,CoCoCo_6828735,ZINC22_17079636	390.453	YIAIOXYVUYUQSW-NSHDSACASA-N	00000010101000000000000010000000000000000000000000000000	25-01-119717
COc1cc(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc(OC)c1OC	ZINC22_2640712,EMOLS-id_3211704,MCULE-6277113854,CoCoCo_3218612,PC-id_2103599	390.453	QPUZRZCCPPIYSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119718
s1c2CCCc2cc1C(=O)NNC(=O)Cc1cc(OC)c(OC)c(OC)c1	PC-id_27684442	390.453	CMWDGYPSAWJZBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119719
s1c2CCCc2cc1C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1	PC-id_27684505	390.498	FFRFTSZXCHLEDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119838
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(c(oc1C)C)C)C)C(=O)N	PC-id_9528367	390.453	BXKGPFDJFDRXDK-NSHDSACASA-N	00000010101000000000000010000000000000000000000000000000	25-01-119720
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(c(oc1C)C)C)C)C(=O)N	PC-id_9528372	390.453	BXKGPFDJFDRXDK-LLVKDONJSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119721
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(c(oc1C)C)C)C)C(=O)N	PC-id_85031911	390.453	BXKGPFDJFDRXDK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119722
CCCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C)F	SCHEMBL19195054	390.455	VKNMFYJSHGJTLE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119723
CCNc1ncc(c(n1)Nc1c[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C)F	SCHEMBL19195943	390.455	ADFKJXVWFAYNKR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119724
O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)C#Cc1ccccc1	GD-id_ZINC20440970	390.455	MFTINPLLGDCSTL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-119725
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C(=O)c1ccccc1	PC-id_24540829	390.455	QDOZYQHCBLRMBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119726
s1c2CCCc2c(c1/N=C/c1oc(c2cc(ccc2)C(=O)OCC)cc1)C#N	PC-id_50886226	390.455	FMHBZSKCTQOTSJ-ZMOGYAJESA-N	00000010101000110000100010000000000000000000000000000000	25-01-119727
s1c2CCCc2c(c1N=Cc1oc(c2cc(ccc2)C(=O)OCC)cc1)C#N	PC-id_75574516	390.455	FMHBZSKCTQOTSJ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-119728
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)N	PC-id_23789796	390.455	GCNBQFPRHXLZAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119729
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)n(C)nc2CCCc12	ZINC22_16848288,CoCoCo_5272993,PC-id_27376617,MCULE-9306656218,EMOLS-id_22760375	390.457	JZFUAPZHKCMURF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119730
c1(NC(=O)C(=O)NCc2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_5190611,EMOLS-id_5625824,PC-id_18586555,MCULE-1110226667,ZINC22_10250648	390.457	KDZBVJQIGPDQBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119731
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1cnc2n1CCC2	ZINC22_328696316	390.457	DFVDGUAFXCIEBQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119732
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1cnc2n1CCC2	ZINC22_328696318	390.457	DFVDGUAFXCIEBQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119733
Cc1nn(C)c(C)c1CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_10199655,PC-id_41403368,EMOLS-id_31361795,MCULE-6782058420	390.457	IRUVNARYZLMNSC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119734
Cc1noc(C)c1S(=O)(=O)N(Cc1ccco1)Cc1nn(C)c2CCCc12	EMOLS-id_50145282,PC-id_86266555,MCULE-2404486455	390.457	NIIHVNPOAYTYTD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-119735
CS(=O)(=O)CCC(=O)NCC1CCc2ncc(C(=O)Nc3ccccc3)n12	EMOLS-id_313760975	390.457	YPEBFFTUBYUIMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119736
CS(=O)(=O)CCC(=O)NC[C@H]1CCc2ncc(C(=O)Nc3ccccc3)n12	ZINC22_1565554745	390.457	YPEBFFTUBYUIMT-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119737
CS(=O)(=O)CCC(=O)NC[C@@H]1CCc2ncc(C(=O)Nc3ccccc3)n12	ZINC22_1614935280	390.457	YPEBFFTUBYUIMT-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119738
OC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N1Cc2c(C1)cnn2C	EMOLS-id_278848722	390.457	OLTCDOWJJIBJPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119739
O=C1N(C)CCC1Oc1ccc(c(c1)C)NS(=O)(=O)c1cnc2n1CCC2	MCULE-1537325574,EMOLS-id_97761709	390.457	DFVDGUAFXCIEBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119740
S1Cc2c(nn(c2NC(=O)c2ccc(OC)cc2)CC(=O)NCCOC)C1	PC-id_44052989	390.457	CPCZHVGOOKVGMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119741
S1Cc2c(nn(c2NC(=O)c2cc(OC)ccc2)CC(=O)NCCOC)C1	PC-id_44052988	390.457	HKQOJESLNLGDMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119742
S1Cc2c(nn(c2NC(=O)c2c(OC)cccc2)CC(=O)NCCOC)C1	PC-id_44052987	390.457	UDZUZYVHESOCDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119743
S1Cc2c(nn(c2NC(=O)COc2ccccc2)CC(=O)NCCOC)C1	PC-id_44052950	390.457	UAYGQBULUPBNMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119744
S1Cc2c(nn(c2NC(=O)COC)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053470	390.457	QYABAHLLXIFYAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119745
S1Cc2c(nn(c2NC(=O)OCC)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053609	390.457	ILUAYUYPMRVLCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119746
c1(NC(=O)c2cnc(nc2C)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	MCULE-9678739882,EMOLS-id_322820648	390.458	NOCGRZMBEUTXCF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119747
c1(NC(=O)c2c(=O)cc(n(c3ccccc3C)n2)C)sc2c(CCC2)c1C#N	MCULE-6107051669,EMOLS-id_322819881	390.458	FJHZNDRISCYXEW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119748
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3)C)n2)C)sc2c(CCC2)c1C#N	MCULE-9728095884,EMOLS-id_322820393	390.458	WHVJDKJSKFJMRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119749
s1c2CCCc2c(c1NC(=O)Cn1c(nc(cc1=O)c1ccccc1)C)C#N	PC-id_7747945	390.458	KBVSCAPTJJHAGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119750
CCOCc1nnc(N2C[C@@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)s1	ZINC22_1857708809	390.46	OIZXBFPJXGKDKC-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-119751
CCOCc1nnc(N2C[C@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)s1	ZINC22_1857708810	390.46	OIZXBFPJXGKDKC-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-119752
CCOCc1nnc(s1)N1CC(CC1=O)C(=O)NCc1n[nH]c2CCCc12	MCULE-7131408957,PC-id_154571641,EMOLS-id_324200749	390.46	OIZXBFPJXGKDKC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-119753
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)N1CCn2c1ncc2	MCULE-1869104113,EMOLS-id_320320799	390.46	HSCXCEVGDDJQDU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119754
O=C(Nc1ccc(c(c1)N1CCCS1(=O)=O)C)NCc1nnc2n1CCC2	EMOLS-id_99580796	390.46	YQOUVZQJWGTZAW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119755
O=C(NCc1ccc(cn1)S(=O)(=O)N1CCCCC1)N1Cc2cn[nH]c2C1	BindingDB-id_440040,PC-id_90013066,SCHEMBL15531507,BindingDB_PC-id_90013066	390.46	GSMPBOBRERERMQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-119756
O=C(N1CCN(CC1)C(=O)Cn1cnnn1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007137	390.463	BXCGZRJGDCFNME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119757
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7349538479,EMOLS-id_334385938	390.472	YLKNEJMEXQZZJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119758
c1(NC(=O)Cc2ccccc2F)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9299174976,EMOLS-id_334387998	390.472	JSRBEPQSDSBEOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119759
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(F)ccc1)C)C(=O)OCC	PC-id_8023129	390.472	MSDCURRGDQBYLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119761
s1c2c(CCC2)c(c1NC(=O)CNC(c1c(F)cccc1)C)C(=O)OCC	PC-id_18086080	390.472	CFBWGMNUMICOEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119762
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(F)cccc1)C)C(=O)OCC	PC-id_8023138	390.472	NOLAQAAVTJYCKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119763
CCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C[C@H]2C(=O)[O-])C)C)sc2c1CCC2	GD-id_ZINC04662437,PC-id_40490828	390.473	FELSALOMWGPMNN-UONOGXRCSA-M	00000010100011000000000010000000000000000000000000000000	25-01-119764
s1c2CCCc2cc1C(=O)OCC(=O)COC(=O)c1sc2CCCc2c1	PC-id_24335534	390.473	BQGPPQBPONXITL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119765
s1c2c(CCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_4748089	390.473	FELSALOMWGPMNN-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-119766
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_40533989	390.473	FELSALOMWGPMNN-KGLIPLIRSA-M	00000010100011000000000010000000000000000000000000000000	25-01-119767
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_40533990	390.473	FELSALOMWGPMNN-ZIAGYGMSSA-M	00000010100011000000000010000000000000000000000000000000	25-01-119768
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_40533991	390.473	FELSALOMWGPMNN-KBPBESRZSA-M	00000010100011000000000010000000000000000000000000000000	25-01-119769
COc1ccc(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1OC	MCULE-3249543417,EMOLS-id_328213631	390.475	IMNWQHWGELWXHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119770
COc1ccc(OCCNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-2214159509,EMOLS-id_328216184	390.475	KODGLXNEYHBYAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119771
O=C(N1CCC(CC1)Oc1ncccc1F)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007353	390.475	IBGMSJQDAAYSRH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-119772
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)CCCC	PC-id_44053656	390.475	XAORTRCNQMHCKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119773
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)C(C)(C)C	PC-id_44053657	390.475	ZLELEQLHRGJODE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119774
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)CC(C)C	PC-id_44053658	390.475	HBUOZNNUPOSYKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119775
CCOC(=O)c1c(sc2c1CCC2)N(c1ccc2cc1OCO2)C(=S)N	PC-id_141124185	390.477	FSSGUFLUPXHBQC-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-119776
NC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc2c1CCC2	EMOLS-id_11664425,PC-id_3954017,MCULE-3345092152,ZINC22_5308285,CoCoCo_2840790	390.477	UDLGIOMWULVLOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119777
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(SCC(=O)N)cccc1	PC-id_8218851	390.477	QDDWLDMIVXQKHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119778
s1c2c(CCC2)c(c1NC(=O)/C=C/c1sccc1)C(=O)NC(=O)OCC	PC-id_7521534	390.477	JPHBTQOMMJITTL-CMDGGOBGSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119779
s1c2c(CCC2)c(c1NC(=O)C=Cc1sccc1)C(=O)NC(=O)OCC	PC-id_78495710	390.477	JPHBTQOMMJITTL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119780
s1c2CCCc2c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C#N	PC-id_18586247	390.477	FYYZYWGJMXRKEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119781
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/c1sccc1)C)C(=O)N	PC-id_8957172	390.477	MNFSDDFFPZQCJF-JARNTUPDSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119782
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/c1sccc1)C)C(=O)N	PC-id_8957175	390.477	MNFSDDFFPZQCJF-QROSGCPLSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119783
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CCO)C(=O)Nc1ccc(OC)cc1	PC-id_2299199	390.477	CSNQMFNQNHXKIT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-119784
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(SC)cc1)C(=O)N	PC-id_8507529	390.477	OQKVTHRSWAZTMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119785
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SC)cccc1)C(=O)N	PC-id_5152948	390.477	WYFCJCMOXAWUIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119786
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)/C=C/c1ccsc1)C)C(=O)N	PC-id_24498317	390.477	DMHZGNYCSRBDGR-AATRIKPKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119787
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1ccsc1)C)C(=O)N	PC-id_74287760	390.477	DMHZGNYCSRBDGR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119788
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1sccc1C)C(=O)N	PC-id_78682400	390.477	TVKAQLDBQLIXEV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119789
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1sccc1C)C(=O)N	PC-id_8386006	390.477	TVKAQLDBQLIXEV-AATRIKPKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119790
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1sccc1)C)C(=O)N	PC-id_84883276	390.477	MNFSDDFFPZQCJF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119791
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1ccccc1)C(=O)N	PC-id_3288670	390.477	AKRZPTCTCIPPLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119792
s1c2c(CCC2)c(c1NC(=O)CSc1ccccc1)C(=O)NC(=O)OC	PC-id_7521496	390.477	NETICRGTYUATHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119793
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)CC(=O)O)C(=O)OC	PC-id_19649125	390.477	NMHANXRCYSQLSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119794
s1c2c(CCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)O)C)C(=O)OC	PC-id_19648992	390.477	PGARCHDVXJVLFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119795
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)OC)C(=O)OC	PC-id_20413671	390.477	IAZFJGACLTWOSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119796
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_20413816	390.477	OYXSLIJSVDVMOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119797
s1c2c(CCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)OC)C(=O)OC	PC-id_20415436	390.477	ODVRRKNMEZSKDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119798
s1c2c(CCC2)c(c1NC(=S)NCc1ccc(cc1)C(=O)O)C(=O)OC	PC-id_19649061	390.477	QHEYJYAJUUURFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119799
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OC)cccc1)C(=O)OC	PC-id_49957434	390.477	VKXQIAMTQHOGSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119800
CCS(=O)(=O)N1CCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375551	390.478	NWHHPQWWKONAMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119801
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1noc(c1)c1ccccc1	PC-id_92109848	390.478	SRTFTISQTPJKIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119802
c1(NC(=O)CSc2nc(C)c(c(=O)[nH]2)CCO)sc2c(CCC2)c1C#N	MCULE-6664074736,CoCoCo_1095070,CoCoCo_1095069,ZINC22_11905660,SPECS-id_AS-871/43478035,CoCoCo_1095071,PC-id_135713655,EMOLS-id_13131821	390.48	UWMCWZIEJUSTDJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119803
C/C(=Nc1c(c2c(s1)CCC2)C#N)/c1c(n(c(=S)[nH]c1=O)CCOC)O	PC-id_135445111	390.48	ALARAILKWNZYLI-DJKKODMXSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119804
CC(=Nc1c(c2c(s1)CCC2)C#N)c1c(n(c(=S)[nH]c1=O)CCOC)O	PC-id_136810303	390.48	ALARAILKWNZYLI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119805
COCCN1C(=O)/C(=C(C)/Nc2sc3c(c2C#N)CCC3)/C(=O)NC1=S	ZINC22_105210107,CoCoCo_4106933,CoCoCo_4106935	390.48	TWFUSKQASYUCJF-UKTHLTGXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119806
COCCN1C(=S)NC(=O)/C(=C(/Nc2sc3c(c2C#N)CCC3)C)/C1=O	CoCoCo_4106932,CoCoCo_4106934,PC-id_8003164	390.48	TWFUSKQASYUCJF-LCYFTJDESA-N	00000010100010000001000010000000000000000000000000000000	25-01-119807
COCCN1C(=S)NC(=O)C(=C(Nc2sc3c(c2C#N)CCC3)C)C1=O	MCULE-1059544278,PC-id_72067105,EMOLS-id_26208769	390.48	TWFUSKQASYUCJF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119808
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCC1CCCCC1	MCULE-7083652707	390.48	DMTOQDYCVKIKHU-UHFFFAOYSA-N	00000000100110000001000010000000000000000000000000000000	25-01-119809
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)s1	EMOLS-id_324904969	390.48	DMTOQDYCVKIKHU-RAXLEYEMSA-N	00000000100110000001000010000000000000000000000000000000	25-01-119810
s1c2CCCc2c(c1NC(=O)CSC1=NC(=O)C(CCO)C(=N1)C)C#N	PC-id_73979300	390.48	QZCRLEKTMPOFJV-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-119811
c1ccc(c2cc(OCC3CCN(Cc4nnc5n4CCC5)CC3)ncn2)cc1	EMOLS-id_317490008,MCULE-6757701657,ZINC22_1775970118	390.481	CATLUHRHEOBNGJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119812
CN(CCC(n1ncc(c1)NC(=O)c1n[nH]c2c1C(=C)CC2)c1ccccc1)C	PC-id_118136301,SCHEMBL16789908	390.481	YXCFUNAXNQNUQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119813
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1Oc1ccccc1)C	PC-id_109608584	390.481	USOZWWPLNIKCFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119814
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cnn(n1)c1ccccc1	PC-id_92109674	390.481	JAJSZZZOAQZLPM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119815
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1C1CCCO1	EMOLS-id_335752613,MCULE-1632931205	390.483	VZABKVYXVSEGNI-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-119816
N#Cc1c(NC(=O)CSc2nnnn2CC2CCCO2)sc2c1CCC2	EMOLS-id_11777453,MCULE-8928227576,PC-id_16336950	390.483	RMRRHSSMEQHCNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119817
N#Cc1c(NC(=O)CSc2nnnn2C[C@@H]2CCCO2)sc2c1CCC2	PC-id_9450370,ZINC22_8324753,CoCoCo_4309851	390.483	RMRRHSSMEQHCNZ-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-119818
CCNC(=NCc1ccc(c(c1)C)S(=O)(=O)C)NCc1nnc2n1CCC2	PC-id_109754321	390.503	VBECLMMYLUJTSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119859
N#Cc1c(NC(=O)CSc2nnnn2C[C@H]2CCCO2)sc2c1CCC2	PC-id_9450371,ZINC22_8324754,CoCoCo_4309852	390.483	RMRRHSSMEQHCNZ-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119819
C/C=CC(=C(F)/C)COC1CCN(C(=C)C1)CC(n1nc2n(c1=O)CCC2)C	PC-id_143848039	390.495	CEFJRZRILOOJEC-RHRZDEJSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119820
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C(C)C)c1ccc(F)cc1)C(=O)N	PC-id_84935020	390.495	NAVHBBUXLKRBGE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-119821
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](C(C)C)c1ccc(F)cc1)C(=O)N	PC-id_9133615	390.495	NAVHBBUXLKRBGE-SFHVURJKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-119822
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](C(C)C)c1ccc(F)cc1)C(=O)N	PC-id_9133618	390.495	NAVHBBUXLKRBGE-GOSISDBHSA-O	00000010100000110000000010000000000000000000000000000000	25-01-119823
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC1CC1	PC-id_41733143	390.496	MCQHBUFXMQWIEN-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-119824
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCC=C	PC-id_41732975	390.496	IFGOHQJAUXRZRK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-119825
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)C	ChEMBL-DNDi_CHEMBL3261-0022,MCULE-2611635372,SPECS-id_AG-205/12835159,EMOLS-id_2121511,PC-id_1037715,CoCoCo_1731026,ZINC22_708357	390.498	WFNKNYLTEFVVHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119826
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1CC	PC-id_2884014,ZINC22_4211541,MCULE-5556592924,CoCoCo_735045,EMOLS-id_2123256	390.498	LWJDNZZGGMIUDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119827
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1C	CoCoCo_1740152,TIMTEC36288,PC-id_1047279,CHEMBL1476265,ZINC22_722308,MCULE-8476774814,EMOLS-id_6770021,ChEMBL-DNDi_CHEMBL3367-1150,SPECS-id_AG-667/11911025,TIMTEC62738	390.498	ATXFOQFFZGGCHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119828
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)C	MCULE-4321171215,ZINC22_4538383,EMOLS-id_1280366,SPECS-id_AG-667/11912012,PC-id_3119668,CoCoCo_138043,BAS-00832044,CHEMBL1397464	390.498	QSSYIYGFNKPASN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119829
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C)c1	CoCoCo_1731072,PC-id_1047278,MCULE-8832212175,EMOLS-id_2367322,ZINC22_722307	390.498	UNZZOPGMSVUIIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119830
c1(NC(=O)c2ccc(cc2)Cc2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-3603733878,CoCoCo_2590281,ZINC22_5055720,EMOLS-id_16349149,PC-id_7475020	390.498	VLOHMHFGWMFVEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119831
c1(NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334327983,MCULE-6129074217	390.498	QTTJWEWJPVKCIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119832
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)NCc1ccccc1	ZINC22_1209751,PC-id_1365367,MCULE-3481397581,EMOLS-id_2375481,CoCoCo_1754298	390.498	XELZBHHSUVMGLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119833
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NC	ChEMBL-DNDi_CHEMBLF1830-0078,EMOLS-id_16349147,ZINC22_5055718,MCULE-3861247008,CoCoCo_2590280,PC-id_7475018	390.498	GRNOATRWJBYCLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119834
c1(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_181348292,MCULE-7478988318,PC-id_84417638	390.498	BJWSLHVBRCVKID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119835
c1(sc2c(CCC2)n1)NC(=O)C(=Cc1ccc(cc1)OCC)c1ccccc1	MCULE-4916890103	390.498	QFJGPNFSEIATPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119836
CCOc1ccc(/C=C(/C(=O)Nc2nc3CCCc3s2)c2ccccc2)cc1	EMOLS-id_334663381	390.498	QFJGPNFSEIATPD-XDJHFCHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119837
CCCCN(C(=O)c1cc2c(s1)CCC2)c1c(N)n(CCC)c(=O)[nH]c1=O	ChEMBL-DNDi_CHEMBL1366452,EMOLS-id_3379661,CHEMBL1366452,MCULE-8336899376,PC-id_4783586,ZINC22_5937911,CoCoCo_3330503	390.5	NFXXHBVZNDFREG-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-119839
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)C(=O)C1CC1	EMOLS-id_29972299,PC-id_17550903,MCULE-3398604757	390.5	YIUQSDUJPQHPHD-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-119840
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(C(=O)C2CC2)CC1	CoCoCo_4228709,ZINC22_35307836,PC-id_40820746	390.5	YIUQSDUJPQHPHD-NSHDSACASA-N	00100010100010000001000010000000000000000000000000000000	25-01-119841
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(C(=O)C2CC2)CC1	PC-id_40820748,ZINC22_35307839,CoCoCo_4228710	390.5	YIUQSDUJPQHPHD-LLVKDONJSA-N	00100010100010000001000010000000000000000000000000000000	25-01-119842
CCOC(c1noc(n1)CN1CCN(CC1)C(=O)c1sc2c(c1)CCC2)C	EMOLS-id_99804023	390.5	INNFFNWIEJVUOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119843
COc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)c(nn2C)CN1CCCCC1	PC-id_97405348	390.5	JFUZDFQLDWUWEC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119844
COC(=O)c1c(NC(=O)c2csc(c3cccs3)n2)sc2c1CCC2	PC-id_56827929,EMOLS-id_36991584,ZINC22_61203259,MCULE-6367330863	390.5	VKCFNKLVMKNUKP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-119845
O=C(c1cc(n(c1C)C1CCCCC1)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110466249	390.5	WXOHZNNYWQHAGZ-UHFFFAOYSA-N	00000010110010000001100010000000000000000000000000000000	25-01-119846
OCC1CCN(CC1)S(=O)(=O)c1cccc(c1)NCc1cnn2c1CCC2	EMOLS-id_317266427,MCULE-2950576299	390.5	MNBSMXKDTSRYGF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119847
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(n(nc1)CC)C)C)C(=O)OC	PC-id_22194113	390.5	AUMWEJRGLJGMBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119848
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(n(nc1C)C)C)C)C(=O)OC	PC-id_22196529	390.5	RLJLOMXEDFSLTB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119849
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cn(nc1)CC)C)C(=O)OCC	PC-id_22194226	390.5	MTAZPKOTLPSZGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119850
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(nn(c1)C)C)C)C(=O)OCC	PC-id_22196236	390.5	KXHKHXTUHAKXML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119851
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(n(nc1)C)C)C)C(=O)OCC	PC-id_22196383	390.5	WZGUCRUESMTZNP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119852
S(=O)(=O)(N(CCCC)C)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536311	390.5	SRVYXWVPDRTNIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119853
CCN(CC)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324835829	390.501	XUYHRXILISPBKZ-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-119854
CCN(CC)c1ccc(/C=c/2sc3nnc(Cc4ccccc4)n3c2=O)cc1	ZINC22_13547110	390.501	UNJBKOQHLABJCF-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-119855
CN(C)c1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324903948	390.501	HKSXUBLOSUTIJF-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-119856
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)Cc1ccccc1	MCULE-6223616518	390.501	XUYHRXILISPBKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119857
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)CCc1ccc(cc1)C	MCULE-9721023256	390.501	HKSXUBLOSUTIJF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119858
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1)S(=O)(=O)C	PC-id_111613046	390.503	YAWOOTKDLZHVNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119860
CN1CCN(CC1)S(=O)(=O)c1ccccc1CNC1CC(n2c1ncn2)C	MCULE-8411122451,EMOLS-id_319905098	390.503	JIIDNKFEAUZJHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119861
COCc1nc([C@H]2CCCCN2C(=O)Nc2nc3c(s2)CCC3(C)C)n[nH]1	ZINC22_566908377	390.503	OZLMHKWPZBWPDC-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119862
COCc1nc([C@@H]2CCCCN2C(=O)Nc2nc3c(s2)CCC3(C)C)n[nH]1	ZINC22_566908378	390.503	OZLMHKWPZBWPDC-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-119863
COCc1n[nH]c(n1)C1CCCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_316152893,MCULE-3484059469	390.503	OZLMHKWPZBWPDC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-119864
c1(NC(=O)c2sccc2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5591758297,EMOLS-id_334333870	390.52	PFCZENSTGGAEIP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119865
c1(NC(=O)Cc2cccs2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333868,MCULE-8272255286	390.52	VAYWIXJDZXEHKY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119866
c1(NC(=O)C=Cc2cccs2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6446082424	390.52	DFJOTRMYAYRGPO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119867
c1(NC(=O)CCCSc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBLF2812-1531,ZINC22_15822879,EMOLS-id_16349217,MCULE-2264924301,PC-id_22582905,CoCoCo_2590323	390.52	KTDGXNJMFKCCMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119868
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	PC-id_9368465,EMOLS-id_13522147,CoCoCo_3305119,ZINC22_8240190,MCULE-7437363264	390.52	PRVSBKWJPOIHKR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119869
COCCCNC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2CCCc12	EMOLS-id_334385691	390.52	DFJOTRMYAYRGPO-CMDGGOBGSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119870
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC22_8096317,EMOLS-id_98098440,PC-id_9226918	390.52	KPRZGSFOQASZBL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119871
O=C(c1sc2c(c1)CCC2)N1CCCN(CC1)S(=O)(=O)c1ccccc1	EMOLS-id_98462004	390.52	SLCQQKZLVYPDBH-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-119872
O=C(OC(C)(C)C)NC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109901	390.52	RXXVWQVKEUCGOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119873
s1c2c(CCC2)c(c1NC(=O)CNc1c(SC)cccc1)C(=O)OCC	PC-id_24562356	390.52	BCZXQHIKCOUNQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119874
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(OCC)cc1)C(=O)OCC	PC-id_8659215	390.52	RBDOOEKFOXMLFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119875
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(OC)cc1)C)C(=O)OC	PC-id_19675872	390.52	QBHGLZYGOIPPKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119876
s1c2c(CCC2)c(c1NC(=S)NCc1ccc(OC)cc1)C(=O)OCC	PC-id_8729380	390.52	YBZFVRILLFPBLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119877
s1c2c(CCC2)c(c1NC(=S)NC(c1cc(OC)ccc1)C)C(=O)OC	PC-id_19675787	390.52	BCOMZGNOEVEPKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119878
s1c2c(CCC2)c(c1NC(=S)NCCc1ccc(OC)cc1)C(=O)OC	PC-id_17300060	390.52	FQJMHPVUUSCHBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119879
s1c2c(CCC2)c(c1NC(=S)NCCc1c(OC)cccc1)C(=O)OC	PC-id_19649716	390.52	DSRLQQNYWDZOQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119880
S(=O)(=O)(N1CCCCC1)c1ccc(NC(=O)c2sc3CCCc3c2)cc1	PC-id_9068906	390.52	OMWUWZFJRHZWGV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-119881
CC(CS(=O)(=O)N1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_100224082	390.521	VTWFZGIVJIMACX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119882
O=S(=O)(C(C)(C)C)N1CCC(CC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100624097	390.521	PBNAJPBMUHHOCK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119883
c12C3(CCNCC3)OCCc1sc(C(=O)NCc1cn3c(SCC3)n1)c2	EMOLS-id_323999340,MCULE-1958119457,PC-id_145937560,ZINC22_1857694660	390.523	UAPXTTLOMAZDRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119884
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2N)C	PC-id_66738951,SCHEMBL597570	390.523	VORWXCBTYDTABV-KGLIPLIRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119885
C[C@H]1CN(CC2CCOCC2)[C@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2N)C	PC-id_68027868,SCHEMBL10076764	390.523	VORWXCBTYDTABV-KBPBESRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119886
CCNC(=NCc1nnc2n1CCC2)N1CCC(CC1)OCC1CCCCO1	PC-id_109447591	390.523	WXDORJVQZBAFNU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119887
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(N)c3C2)(C)C)C)CC1	PC-id_77182970	390.523	VORWXCBTYDTABV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119888
O=C(N1CCN(CC1)C(=O)c1cscc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000141	390.523	MZPWDRAWDYBPGZ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-119889
S1Cc2c(nn(c2NC(=O)c2c(SC)cccc2)CC(=O)NCCC)C1	PC-id_44052932	390.523	KDUXUEPICPSBHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119890
CC(C)(C)Cc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335754915,MCULE-1692166910	390.526	PQVXCMQSQOFYBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119891
c1(NC(=O)CC2CCCCC2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9014675314,EMOLS-id_334332835	390.539	DCROZRSKGMWKLT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-119892
O=C(CN1CCC(NC(=O)C2CCCCC2)CC1)Nc1nc2c(s1)CCC2	MCULE-7560067795,EMOLS-id_98831431,ZINC22_65962989	390.543	JMXZCLVPIXSYAX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119893
O=C(N1CCC(CC1)CC(=O)N1CCCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000099	390.543	FTWGTWRHYDUQKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-119894
s1c(C2[NH+](CCC2)C(C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_73146980	390.543	BZRACGCDWLJXBO-UHFFFAOYSA-O	00000010100100000000100010000000000000000000000000000000	25-01-119895
s1c([C@@H]2[NH+](CCC2)[C@@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_11939079	390.543	BZRACGCDWLJXBO-WCQYABFASA-O	00000010100100000000100010000000000000000000000000000000	25-01-119896
s1c([C@@H]2[NH+](CCC2)[C@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_11939081	390.543	BZRACGCDWLJXBO-DGCLKSJQSA-O	00000010100100000000100010000000000000000000000000000000	25-01-119897
s1c(C(=O)N2CC[NH+](CC2)CC(=O)N2CC(CC(C2)C)C)cc2c1CCC2	PC-id_74456704	390.563	TWLSQSILTVAPSP-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-119898
s1c(C(=O)N2CC[NH+](CC2)CC(=O)N2C[C@H](C[C@H](C2)C)C)cc2c1CCC2	PC-id_25439719	390.563	TWLSQSILTVAPSP-IYBDPMFKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-119899
s1c(C(=O)N2CC[NH+](CC2)CC(=O)N2C[C@H](C[C@@H](C2)C)C)cc2c1CCC2	PC-id_40808720	390.563	TWLSQSILTVAPSP-HOTGVXAUSA-O	00000010100010000001000010000000000000000000000000000000	25-01-119900
S(c1n(C2CCCC2)c(nn1)CCCNC(=O)c1sc2CCCc2c1)C	PC-id_8202448	390.566	KMVFDFATUUVQSF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-119901
C=C/C=CC1=C(F)C(n2c1cnc2)CC1(SCCCS1)C1CCCCC1	PC-id_118931152,SCHEMBL17574249	390.581	QQUAMECQGWAFSZ-KMKOMSMNSA-N	00000011100010000001100010000000000000000000000000000000	25-01-119902
CC1CCc2c1c(Cl)nn2Cc1cc(F)ccc1I	EMOLS-id_330974455,MCULE-2020721213	390.622	NPNFTTJOOQNDDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119903
CC1CCc2c1c(Cl)nn2Cc1c(F)cccc1I	MCULE-5764735378,EMOLS-id_330974199	390.622	OYOSXLDGXGFLBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119904
CC1CCc2c1c(I)nn2Cc1cccc(Cl)c1F	EMOLS-id_330979580,MCULE-7539845215	390.622	CLOSXJIVUAPFHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119905
CC1CCc2c1c(I)nn2Cc1cccc(F)c1Cl	EMOLS-id_330977532,MCULE-8372609831	390.622	ZLEPFXMDSOQKQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119906
CC1CCc2c1c(I)nn2Cc1ccc(Cl)cc1F	EMOLS-id_330980092,MCULE-5156908676	390.622	CBXNNWDGKYADQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119907
CC1CCc2c1c(I)nn2Cc1ccc(Cl)c(F)c1	MCULE-5099404342,EMOLS-id_330977533	390.622	VQQBJSXFWAXJNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119908
CC1CCc2c1c(I)nn2Cc1ccc(F)cc1Cl	EMOLS-id_330981115,MCULE-6086918656	390.622	AWTVTDMUYSKUDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119909
CC1CCc2c1c(I)nn2Cc1ccc(F)c(Cl)c1	MCULE-2420578883,EMOLS-id_330979324	390.622	IDBRTKIFCUCFMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119910
CC1CCc2c1c(I)nn2Cc1cc(F)ccc1Cl	EMOLS-id_330981371,MCULE-3800675151	390.622	SGVAOKRIVNYHFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119911
CC1CCc2c1c(I)nn2Cc1cc(F)cc(Cl)c1	EMOLS-id_330979836,MCULE-7772533939	390.622	SLAIXDJKSHLLCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119912
CC1CCc2c1c(I)nn2Cc1c(F)cccc1Cl	MCULE-8322440455,EMOLS-id_330980859	390.622	SAKUIXHAUWJDJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119913
CC1CCc2nn(Cc3cccc(Cl)c3F)c(I)c12	MCULE-8647427252,EMOLS-id_330963640	390.622	YBVRVGPNCXWCST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119914
CC1CCc2nn(Cc3cccc(F)c3Cl)c(I)c12	EMOLS-id_330961592,MCULE-8130275560	390.622	DGWLQEJTSSRQLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119915
CC1CCc2nn(Cc3ccc(Cl)cc3F)c(I)c12	MCULE-8636995621,EMOLS-id_330964152	390.622	OZAGUHBDWFNQIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119916
CC1CCc2nn(Cc3ccc(Cl)c(F)c3)c(I)c12	MCULE-8506265168,EMOLS-id_330961593	390.622	RRVDWWLIICKDEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119917
CC1CCc2nn(Cc3ccc(F)cc3Cl)c(I)c12	MCULE-5940286728,EMOLS-id_330961080	390.622	JKXJXMLERSCNEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119918
CC1CCc2nn(Cc3ccc(F)c(Cl)c3)c(I)c12	MCULE-1691531408,EMOLS-id_330963384	390.622	OXWAQPRGVCZEFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119919
CC1CCc2nn(Cc3cc(F)ccc3Cl)c(I)c12	EMOLS-id_330961336,MCULE-9858975269	390.622	UPATZTVSEKEJAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119920
CC1CCc2nn(Cc3cc(F)ccc3I)c(Cl)c12	EMOLS-id_330959539,MCULE-6261387223	390.622	RVTOYSIZGIGQDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119921
CC1CCc2nn(Cc3cc(F)cc(Cl)c3)c(I)c12	EMOLS-id_330963896,MCULE-9816436872	390.622	CXTURPCBJCTJMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119922
CC1CCc2nn(Cc3c(F)cccc3Cl)c(I)c12	EMOLS-id_330964919,MCULE-4365830580	390.622	RHXVGLCRAGYDBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119923
CC1CCc2nn(Cc3c(F)cccc3I)c(Cl)c12	EMOLS-id_330959283,MCULE-5743746893	390.622	DENSXNUFHQKSAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119924
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324911104	390.672	PNOYZBKMROCOTO-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119925
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324913668	390.672	BPSSTTAVPYEULY-YFHOEESVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119926
n12c(=O)c(=Cc3cccc(OCC)c3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-6501000405	390.672	BPSSTTAVPYEULY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119927
n12c(=O)c(=Cc3ccc(OCC)cc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-3242975421	390.672	PNOYZBKMROCOTO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119928
Clc1cccc(c1)OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518631	390.781	PBUDWIMSXJGFQV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119929
Clc1cccc(c1)OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19518632	390.781	PBUDWIMSXJGFQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119930
Brc1sc(C(NCCC)c2sc3c(CCC3)c2)cc1Cl	PC-id_80531260	390.789	WIKGQNCBAYPOGL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119931
CCCNC(c1sc(c(c1)Br)Cl)c1sc2c(c1)CCC2	PC-id_102828677	390.789	MMZNOPBTYJKTBX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-119932
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1)CN(C2(C)C)C(=O)Cl	SCHEMBL1205765,PC-id_57523677	390.821	ZOBXCRQSYINLLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119933
C=CC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@@H](F)C2	ZINC22_1875386604	390.839	VFEMZMVMCAQWAJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119934
C=CC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@H](F)C2	ZINC22_1875386605	390.839	VFEMZMVMCAQWAJ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119935
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)/C=C/C(=O)O	PC-id_135188097	390.841	ZESHGHJZPWLRMZ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119936
Clc1ccc(OCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7574894	390.841	SVVRUKKTUPMWLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119937
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(OC)cc1	PC-id_7582027	390.841	FENXIRVMISNGOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119938
Clc1cc(OCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_7803757	390.841	YQQJHWYFZGCCNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119939
Clc1c(OCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_8909050	390.841	VYXMIFBZCOKNBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119940
COC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c1sc(=CN(C)C)c2=O	BindingDB_PC-id_4047313,BindingDB-id_95041,MCULE-3927090419,EMOLS-id_26156741,CHEBI:114581	390.841	IJFUBADKLMNNRE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119941
COC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)/c(=CN(C)C)/sc12	ZINC22_3273189	390.841	IJFUBADKLMNNRE-NTEUORMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119942
COC(=O)c1cc(n2c1s/c(=CN(C)C)/c2=O)C(=O)c1ccc(cc1)Cl	MCULE-1121686658	390.841	IJFUBADKLMNNRE-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-119943
Clc1n(nc(c1C(=O)Nc1sc2CCCc2n1)C)Cc1ccc(F)cc1	PC-id_52548966	390.862	UVKLXFIOZGEZOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119944
Clc1ccc(cc1)CC1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5546305,PC-id_69482388	390.864	MKFIUEXEMZFIND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119945
CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)Cn1cc(Cl)cn1)C2	EMOLS-id_313733846,ZINC22_1565551308	390.867	CJRRYZJGXYLONS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119946
Clc1c(C(=O)NCC(C)C)ccc(NC(=O)NCc2n3CCCc3nn2)c1	PC-id_60488966	390.867	AIVAETAYKLESGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119947
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)N1CCOCC1	EMOLS-id_1128417,ZINC22_1081044,BAS-00486881,CoCoCo_81784,MCULE-4945412979,PC-id_1268015	390.884	DIUORHUSYLKFDN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-119948
c1(NC(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)n(C)nc2CSCc12	PC-id_53368925,STOCK7S-20143,MCULE-2112445013,EMOLS-id_36510236	390.887	FDZOUJMFYFKEGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119949
Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(Cc3ccccc3Cl)C1)CSC2	PC-id_95390621,ZINC22_71283507	390.887	FDZOUJMFYFKEGH-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119950
Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(Cc3ccccc3Cl)C1)CSC2	ZINC22_71283508,PC-id_95390622	390.887	FDZOUJMFYFKEGH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119951
Clc1cccc(c1)N1CCN(CC1)CCCCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_54266515,PC-id_54266515	390.907	RHDBPRGCLWGKRU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119952
Clc1cc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)c(OC)cc1	PC-id_9136596	390.907	CMAIJVDRVYVYHF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-119953
Clc1ccc(OCC[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc1	PC-id_9252526	390.907	OJYMLGUZFZDDQA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-119954
N#CCSCC(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2	PC-id_145890720,MCULE-9372356199,EMOLS-id_320373532,ZINC22_512318117	390.907	KLFIQPISXVUUBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119955
c1(NC(=O)Cc2csc(c3ccc(cc3)Cl)n2)n(C)nc2CSCc12	MCULE-5614798313,EMOLS-id_320497735	390.91	ALRFPILTGWXEQN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119956
c1(NC(=O)Cc2csc(c3ccccc3Cl)n2)n(C)nc2CSCc12	PC-id_60177309,ZINC22_72406004,EMOLS-id_43041771,STOCK7S-30058,MCULE-8326990607	390.91	OQDUTCOZEXSHSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119957
Clc1ccc(C(=O)c2c3CCCc3sc2NC(=O)CN(CC)CC)cc1	PC-id_1465614	390.927	SVKVOXHIASXKFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119958
Clc1ccc(cc1)N1CCN(CC1)C(=NCCc1cn2c(n1)SCC2)N	PC-id_120363262	390.933	LCRJYUNBIXCDPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119959
Clc1ccc(cc1)N1CCN(CC1)CCC(c1c(C)sc2c1CCC2)O	PC-id_141912643	390.97	GXEJVJYVNSFNKI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-119960
FC(CCCN1Cn2c(C1=O)nc(c2Br)Br)(F)F	PC-id_140263718	390.983	QLRRUCCZUBOPPE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119961
CC(C)[C@H]1C2=C(CN1)SC(=N2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F	PC-id_154506614	391.064	DXNILNHOPJTMQY-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119962
C1CC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Cl)CC(=O)CCC(=O)O	PC-id_161656369	391.065	XAKPTTHSBQLNJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119963
OC(=O)c1sc2CN(Cc2c1I)C(=O)C(F)(F)F	EMOLS-id_331255911	391.106	BPASWFDYEJMLRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-119964
CCCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)S(=O)(=O)C	PC-id_154477055	391.109	KOADQHXKQORRAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-119965
C/C=C(C=C)/SN1C=C2CN(CC2=N1)C(=O)C(CO)C3=C(C(=CC=C3)F)F	PC-id_164872020	391.117	PLAQZYNIVKOCQJ-YIXHJXPBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119966
Brc1cc(oc1Br)CNCc1sc2c(CCC2)c1	PC-id_62083981,EMOLS-id_314160791	391.121	WXXQQCYSYXPMQI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-119967
C1C=C2C(=C1)OC=C2CC(C(=O)C(=O)N)NC(=O)C3=CC=NN3C4=CC=CC=N4	PC-id_161759444	391.128	XNKZBUFZCWRPRC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-119968
C1C=C2C(=C1)OC=C2CC(C(=O)C(=O)N)NC(=O)C3=CN=CN3C4=CC=CC=N4	PC-id_162146910	391.128	ZKRFUZJEABSMDZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-119969
CC1=CC=C(C=C1)C(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_165180381	391.128	PNYVEDUDJNJIEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119970
CC1=C(N=C(O1)C2=CC=CS2)CNC3=CC=C(C=C3)CC4=NN=C5N4CCC5	PC-id_154744485	391.147	ZVGVDSHBOMEPTA-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-119971
CCN1C2=C(CN(C2)C(=O)OC(C)(C)C)N=C1C(=O)NNC(=O)C(F)(F)F	PC-id_153944155	391.147	PLHXBKWGBVZLQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119972
CC1(C2=C(CN1CC3=CC(=CC=C3)[N+](=O)[O-])C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164615208	391.164	PJZQGGLMNUXRHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119973
C1CC2=C(C1)NC(=C2)C(=O)NCC3CCN(C3)C(=O)C4=NN(C=C4)CC(F)F	PC-id_154799834	391.182	GRWPYTYIGRZBAX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-119974
C1CC2=C(C=NN2C1)C(=O)N[C@@H]3CC(C[C@H]3O)CN4C=CN=C4C5=CC=CC=C5	PC-id_154794922	391.201	BLOZYXFTHMBGDS-RMNMTYGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-119975
CC1CCc2c1c(CBr)nn2Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_331030030,MCULE-8510987733	391.201	WLSKGMZGYMDEAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119976
CC1CCc2c1c(CBr)nn2Cc1cc(ccc1F)C(F)(F)F	EMOLS-id_331031040,MCULE-5907824075	391.201	QOXQTQQENUOTBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119977
CC1CCc2c1c(CBr)nn2Cc1cccc(c1F)C(F)(F)F	MCULE-4376162003,EMOLS-id_331030287	391.201	HDHQRJJOZGECKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119978
CC1CCc2c1c(CBr)nn2Cc1ccc(c(F)c1)C(F)(F)F	MCULE-1082485378,EMOLS-id_331030286	391.201	GCJCZIMOUXMEEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119979
CC1CCc2c1c(CBr)nn2Cc1ccc(F)c(c1)C(F)(F)F	EMOLS-id_331030528,MCULE-3872085876	391.201	VQYJWSDZYXEOJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119980
CC1CCc2c1c(CBr)nn2Cc1ccc(F)cc1C(F)(F)F	MCULE-2150479218,EMOLS-id_331028495	391.201	DFRHCAHQBIFNGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119981
CC1CCc2c1c(CBr)nn2Cc1cc(F)cc(c1)C(F)(F)F	EMOLS-id_331030784,MCULE-9049423703	391.201	KRYBMCYTCUDKGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119982
CC1CCc2c1c(CBr)nn2Cc1cc(F)ccc1C(F)(F)F	MCULE-5401605811,EMOLS-id_331028751	391.201	WGRBSMIVDNMPRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119983
CC1CCc2c1c(CBr)nn2Cc1c(F)cccc1C(F)(F)F	EMOLS-id_331028239,MCULE-7579489366	391.201	CPFLYRFDOIIPLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119984
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(CBr)c12	EMOLS-id_331013305,MCULE-2266606957	391.201	XAVPBDXPDUIOCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119985
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(CBr)c12	EMOLS-id_331014073,MCULE-6318631324	391.201	CAUVSEOASPHLDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119986
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(CBr)c12	MCULE-2506337684,EMOLS-id_331013048	391.201	AMMDZNGQEHENSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119987
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(CBr)c12	MCULE-1126036749,EMOLS-id_331013304	391.201	OXFHXRCWGPWCCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119988
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(CBr)c12	EMOLS-id_331011513,MCULE-5563550908	391.201	RIYFTOFLOIVYLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119989
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(CBr)c12	MCULE-1293136057,EMOLS-id_331013561	391.201	PABZPLHXPYYEPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119990
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(CBr)c12	EMOLS-id_331011769,MCULE-3065181830	391.201	WTSONIGWLFOBAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119991
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(CBr)c12	EMOLS-id_331013817,MCULE-7718909536	391.201	CVILBGMGPKZUNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119992
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(CBr)c12	MCULE-7880815858,EMOLS-id_331011257	391.201	NRVYDQKVOFRIMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119993
CC1=CC=CC=C1C2=NC(=C(C=C2)N)CC(=O)N3CC4=CN(N=C4C3)CCOC	PC-id_160422045	391.201	RUBQFBRYUJBQAE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-119994
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1Br	EMOLS-id_331021474,MCULE-1188916499	391.201	BYWUWCUXPKQMGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119995
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-1901538490,EMOLS-id_331021730	391.201	HZGRXUFFIRGKDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119996
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-5423653255,EMOLS-id_331019168	391.201	BIEWNGGBTGUMOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119997
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-3224486013,EMOLS-id_331018912	391.201	LWQWXXSZMJHKCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119998
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1Br	EMOLS-id_331021218,MCULE-6823062374	391.201	AEXBPQCUAZRWOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-119999
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-5879837747,EMOLS-id_331018660	391.201	PNQMUCFRKZWQJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120000
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-3042131968,EMOLS-id_331018916	391.201	QAHCKWFYSBJVPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120001
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1Br	MCULE-5283484127,EMOLS-id_331021986	391.201	OTTJXAXITXPKTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120002
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1Br	EMOLS-id_331018404,MCULE-2624082890	391.201	DTKSCIXZJAOEIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120003
CCOC(=O)n1c2c(CN(C2)C(=O)CC(C)C)c(n1)I	PC-id_86605560	391.205	OOOZMEOQHYBXJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120004
Ic1nn(c2CN(Cc12)C(=O)OCC(C)C)C(=O)CC	PC-id_10385760	391.205	IYCHBXYWYPTMDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120005
CCOC(=O)c1c(/c(=Cc2cc(c(c(c2)Cl)O)Cl)/n2c1nc(n2)C)[N+]#[C-]	PC-id_136034568	391.208	NOOVECUOAKLJAL-KPKJPENVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120006
CCOC(=O)c1c(c(=Cc2cc(c(c(c2)Cl)O)Cl)n2c1nc(n2)C)[N+]#[C-]	PC-id_136655023	391.208	NOOVECUOAKLJAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120007
O=C(Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1cc2n(n1)CCO2	EMOLS-id_316153105,ZINC22_365960396,MCULE-1753582953	391.208	KFCSPQNFZJCOKH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120008
Brc1cc(C=Nc2sc3CCCc3c2C#N)c([O-])c([N+](=O)[O-])c1	PC-id_7114246	391.219	ZCJVYVNXYLCXBB-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-120009
CCOC(=C)N1C2=C(CNC2(C)C)C(=N1)NC(=C)C3=CC=C(C=C3)NC(=C)C=C	PC-id_153631941	391.237	QDKSQVIJCRHBFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120010
c12CN(Cc1nn(CC(C)C)c2I)C(=O)OC(C)(C)C	EMOLS-id_324342373,MCULE-7566916626	391.248	YPAPQVLQQJEABE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120011
ClCCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1c(Cl)cccc1	PC-id_51042537	391.251	GPUVYKRJROLEFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120012
CCC(=O)Nc1cccc(CNC(=O)c2c(Br)nc3n2CCC3)c1	EMOLS-id_324030756,ZINC22_825275501,MCULE-9696972758,PC-id_146092046	391.262	QTTIOSMMIYODBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120013
CN(Cc1nnc2n1CCC2)C(=O)CCC(=O)c1ccc(Br)cc1	MCULE-1654231413,ZINC22_58795099,EMOLS-id_44106991,PC-id_52587717	391.262	IBQRUEPOIDHRPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120014
CCCCCCCCN1C(=O)c2c(C1=O)c(sc2)I	PC-id_50992888,SCHEMBL14881267	391.268	WSMIXCQUEABANI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120015
CCCCC(CN1C(=O)c2c(C1=O)c(sc2)I)CC	PC-id_141742503	391.268	CILGETIKUBXHRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120016
C[C@]1(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1(Cl)Cl	PC-id_7463046,ZINC22_5030736,CoCoCo_3025649	391.27	WAMCTRBXJFZHCM-CQSZACIVSA-N	00100010100000000000000010000000000000000000000000000000	25-01-120017
C[C@@]1(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1(Cl)Cl	ZINC22_5030748,CoCoCo_3025648,PC-id_7463050	391.27	WAMCTRBXJFZHCM-AWEZNQCLSA-N	00100010100000000000000010000000000000000000000000000000	25-01-120018
ClC1(Cl)C(C1)(C)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_3941239,EMOLS-id_3162890,MCULE-5888030708	391.27	WAMCTRBXJFZHCM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-120019
Brc1ccc(OCCC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_322818089,MCULE-3470977352	391.282	KYQNHGJWBIVDIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120020
Brc1cc(C(=O)Nc2sc3CCCc3c2C#N)ccc1OCC	PC-id_4511573	391.282	MKJQGGADATUMQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120021
c1(NC(=O)c2cc(Br)cc(C)c2OC)sc2c(CCC2)c1C#N	SPECS-id_AN-153/I226420,PC-id_2214781,MCULE-5904587041,CoCoCo_1008762,ZINC22_2861480,EMOLS-id_1800214	391.282	MGJBREMDIJBEHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120022
c1(NC(=O)C(C)Oc2ccc(cc2)Br)sc2c(CCC2)c1C#N	MCULE-5145858506,EMOLS-id_322617185	391.282	UPADTKVWCLTXLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120023
c1(NC(=O)C(C)Oc2ccccc2Br)sc2c(CCC2)c1C#N	PC-id_5000871,MCULE-7274247351,EMOLS-id_6775203	391.282	FCIOKRPXKFICSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120024
C[C@H](Oc1ccccc1Br)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_1958552,PC-id_1282925,ZINC22_1102473	391.282	FCIOKRPXKFICSS-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-120025
C[C@@H](Oc1ccccc1Br)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_1958553,ZINC22_1102474,PC-id_1282924	391.282	FCIOKRPXKFICSS-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120026
Clc1ccc(c(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)Cl	EMOLS-id_16741138,PC-id_8473974,MCULE-3886796734,CoCoCo_3532689	391.293	VAJGAXHKCZZIIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120027
Clc1cc(Cl)cc(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-6971382614,PC-id_8474129,CoCoCo_3532710,EMOLS-id_43896649	391.293	OGYBBXPCPVSNOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120028
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)ccc1Cl	EMOLS-id_15258507,PC-id_8473955,CoCoCo_3532687,MCULE-8441516203	391.293	CMZQWRDKPRQBRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120029
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cccc1Cl	EMOLS-id_16768369,PC-id_8474063,MCULE-5267895741,CoCoCo_3532698	391.293	PPAGQUBBYPOJRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120030
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)c(Cl)ccc1	CoCoCo_3532707,EMOLS-id_43896645,MCULE-7768254938,PC-id_26949447	391.293	HCWQPLUAHBVBDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120031
CCNC(c1sc2c(n1)CCC2)c1ncc(s1)I	PC-id_112755558	391.294	VNPGYNZHQNCAHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120032
O=C(N1CCC(=CC1)c1ccc(c(c1)Cl)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_101420355	391.294	VIKDMYORTDPTQX-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-120033
Brc1sc(c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)c1)C	PC-id_80224977	391.307	GWLKPMWTGVGQLB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120034
Brc1sc(c(S(=O)(=O)NC(c2n3CCCc3nn2)C)c1)C	PC-id_80226349	391.307	SKSJGZZVKYJAEC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120035
Brc1sc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1C	PC-id_79918812	391.307	XCORNPDLSSQLIL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120036
Brc1sc(S(=O)(=O)NC(c2n3CCCc3nn2)C)cc1C	PC-id_79924185	391.307	CILWWFJPMRBZFP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120037
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccccc1Br)C	PC-id_111275897	391.309	KHEMCYMFHUOFBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120038
CCNC(=NCc1nnc2n1CCC2)N(Cc1ccc(cc1)Br)C	PC-id_111292955	391.309	AFQGDJJDJMVEQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120039
CN1CCN(CC1)c1ncc(cc1NCc1cnc2n1CCC2)Br	EMOLS-id_318146731	391.309	MEDOLHWQSLNTLT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-120040
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCC2)c1C(=O)OC	TIMTEC124930,PC-id_2168560,MCULE-7778809932,CoCoCo_902792,EMOLS-id_2199511,ZINC22_2767257	391.313	DLABXQBHRSVQMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120041
CC1(Cn2cc(nc2S1=O)[N+](=O)[O-])COc1ccc(cc1)OC(F)(F)F	PC-id_137636497	391.322	XWXJXQWLMFQLCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120042
FC([C@@H]1[C@@H](CCCN1S(=O)(=O)c1cnc2n1CCC2)C(F)(F)F)(F)F	EMOLS-id_101282961	391.333	ATPHQBDEEBQBJD-KCJUWKMLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120043
FC(F)(F)c1cc(NC(=O)NCc2n3CCCc3nn2)c(n2nccc2)cc1	PC-id_52195257	391.35	UEYSYTZRIJHQBE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120044
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])F)CNC2(C)C	PC-id_69039016,SCHEMBL4701327	391.354	SUYSRGORISMOSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120045
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1c(F)cccc1[N+](=O)[O-]	PC-id_69039662,SCHEMBL4427637	391.354	RILGFXDDGUWLMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120046
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)OC	PC-id_1638480,MCULE-4113401259,CoCoCo_5814921,SPECS-id_AK-968/37129206,ZINC22_1904939,EMOLS-id_4069327,TIMTEC376250	391.355	PFIVPVDPCMFHPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120047
s1c2c(CCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)OC	PC-id_3478279	391.355	MZWGEMBAXZDTCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120048
O=C(N1Cc2c(C1)n[nH]c2NC(=O)c1ccccc1O)NC(=O)c1ccccc1	SCHEMBL2924422,PC-id_68442820	391.38	POSPJCNOZMWOIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120049
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	EMOLS-id_324348260,MCULE-3175116253	391.385	CMEMCVBGQYHGGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120050
C/C=C/c1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261685	391.387	XNGKNWRMHULIMP-RGDDUWESSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120051
OCC(CONC(=O)c1c(Nc2ccc(cc2F)C)n(c2c1CCC2=O)C)O	PC-id_145524193	391.393	IJRCARFXLNQDJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120052
OCC(ONC(=O)c1c(Nc2ccc(cc2F)C)n(c2c1CCC2=O)C)CO	PC-id_145524196	391.393	XWNODYGSWJKJKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120053
S1(=O)(=O)C(c2n(C1)c(c(c2C(=O)OC)C(=O)OC)C)C(=O)c1ccccc1	PC-id_11280763	391.395	YWIAMACGKODHQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120054
S1(=O)(=O)[C@@H](n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(=O)c1ccccc1	PC-id_11326766	391.395	ZXPABDYHLFODCM-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120055
S1(=O)(=O)C(n2c(C1)c(c(c2C)C(=O)OC)C(=O)OC)C(=O)c1ccccc1	PC-id_72802575	391.395	ZXPABDYHLFODCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120056
C[C@H](OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)C(=O)NC(=O)N	CoCoCo_2889322,ZINC22_10935568,PC-id_41733616	391.398	IFUVDZUIWYTHSZ-QMMMGPOBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120057
C[C@@H](OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)C(=O)NC(=O)N	CoCoCo_2889323,ZINC22_10935573,PC-id_41733618	391.398	IFUVDZUIWYTHSZ-MRVPVSSYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120058
NC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccco2)sc2c1CCC2	MCULE-5897514348,ZINC22_6084030,PC-id_4843268,CoCoCo_3067075,EMOLS-id_3399297	391.398	XHGKDUYPRDUTBM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120059
NC(=O)NC(=O)C(OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)C	PC-id_42899975,EMOLS-id_23500021,MCULE-4822141913	391.398	IFUVDZUIWYTHSZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120060
s1c2CCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1	PC-id_8123262	391.398	IGUGCOCBTSBUMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120061
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)OCCOc1ccccc1	PC-id_139746948	391.417	RYAYDIRMZOFWAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120082
s1c2c(CCC2)c(c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)OCC	PC-id_7467770	391.398	UIZTVVCJAIRGLZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-120062
s1c2c(CCC2)c(c1NC(=O)COc1c(nccc1)[N+](=O)[O-])C(=O)OCC	PC-id_5213528	391.398	GRYVPCYEEBZQMP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-120063
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])cc(OC)cc1)C(=O)N	PC-id_7549047	391.398	JYKCEWQMUWKOSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120064
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)ccc([N+](=O)[O-])c1)C(=O)N	PC-id_38897557	391.398	IQJKVCURZAKPRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120065
c1(NC(=O)COc2nonc2CC(=O)NCCO)sc2CCCc2c1C#N	MCULE-2252428990,EMOLS-id_333684818	391.402	USQIJFMGBVLATP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120066
c1(NC(=O)COc2nonc2C(=O)NCC(C)O)sc2CCCc2c1C#N	EMOLS-id_333715772,MCULE-8546824704	391.402	FXVZTSBQOZJOSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120067
c1(NC(=O)COc2nonc2C(=O)NCCCO)sc2CCCc2c1C#N	EMOLS-id_333716796,MCULE-7433242564	391.402	OEWRALWHMCWOPQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120068
c1(NC(=O)COc2nonc2C(=O)N(C)CCO)sc2CCCc2c1C#N	MCULE-5599666601,EMOLS-id_333663690	391.402	ZWCRSONTELHIEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120069
c1(NC(=O)COc2nonc2C(=O)NCCOC)sc2CCCc2c1C#N	EMOLS-id_333717050,MCULE-4152588664	391.402	HIJMOXGVWXMVCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120070
Cn1nc(c2c1CCC2)CN(S(=O)(=O)CCC(F)(F)F)Cc1ccco1	PC-id_92109665	391.409	KRWSICRYPKHECF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-120071
O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1cc2c(s1)CCC2	EMOLS-id_44518979,ZINC22_84404904,PC-id_71901175,MCULE-3308726867	391.41	GYHWEKMQSROXRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120072
c1(C(F)(F)F)c2CCCc2n(CCCNS(=O)(=O)c2cnn(C)c2C)n1	EMOLS-id_8869280,MCULE-9216295684,PC-id_19614608,ZINC22_36614752	391.412	PBVQGHYMGYMOHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120073
c1(C(F)(F)F)c2CCCc2nn1CCCNS(=O)(=O)c1cn(nc1C)C	TIMTEC267395,PC-id_19614474,EMOLS-id_8869002,ZINC22_36614620,MCULE-5217572655	391.412	KNVXFXMYLRZPEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120074
c1(cnn(C)c1C)S(=O)(=O)NCCCn1nc2c(CCC2)c1C(F)(F)F	TIMTEC319598,EMOLS-id_8869154,ZINC22_36614693,PC-id_19614549,MCULE-3531069882	391.412	MUEAJFUPTHDTAR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120075
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(F)cc1)C(=O)OCC	PC-id_7789301	391.413	XOFQFVHUMDNHCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120076
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)ccc1)C(=O)OCC	PC-id_7758600	391.413	HBGJMXMYAXXZMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120077
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(F)cccc1)C(=O)OCC	PC-id_2511287	391.413	YMNUPZMJKJVZTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120078
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(F)cc1)C(=O)OC	PC-id_45686856	391.413	BBCWWIBNDFAVMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120079
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(F)cccc1)C(=O)OC	PC-id_35687079	391.413	KWWSOPHGYZQRCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120080
Fc1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)NCCCC)(C)C)ccc(F)c1	PC-id_10249866	391.415	UHVVMOTYTXXJBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120081
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(N)cc(F)cc1)C)C(=O)N	PC-id_31662422	391.417	GTRMARNZRYUFBL-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120083
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(N)cc(F)cc1)C)C(=O)N	PC-id_31662426	391.417	GTRMARNZRYUFBL-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120084
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(N)cc(F)cc1)C)C(=O)N	PC-id_74617419	391.417	GTRMARNZRYUFBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120085
O1[C@@H](n2c(O[C@@H]3CCn4c3c(cc4)COC)nc(=O)c(c2)C)C[C@H](O)[C@H]1CO	PC-id_178762	391.418	GWOLNTTWIBQHQD-ZJIFWQFVSA-N	00000010100000100001100010000000000000000000000000000000	25-01-120086
O1[C@@H](n2c(O[C@H]3CCn4c3c(cc4)COC)nc(=O)c(c2)C)C[C@H](O)[C@H]1CO	PC-id_178763	391.418	GWOLNTTWIBQHQD-CAOSSQGBSA-N	00000010100000100001100010000000000000000000000000000000	25-01-120087
O1C(n2c(OC3CCn4c3c(cc4)COC)nc(=O)c(c2)C)CC(O)C1CO	PC-id_78172911	391.418	GWOLNTTWIBQHQD-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-120088
COc1ccc(cc1)C(=O)c1c(NC(=O)OCc2ccccc2)nc2CCCn12	EMOLS-id_331257194	391.42	RHXICSXMUVGLET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120089
COc1ccc(cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)[N+](=O)[O-]	EMOLS-id_328219775,MCULE-4587299035	391.42	MSHZJODDSFJMNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120090
COc1cc(ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)[N+](=O)[O-]	MCULE-4226795463,EMOLS-id_328219254	391.42	UPTGRPNLEJFRLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120091
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)[N+](=O)[O-]	EMOLS-id_328217460,MCULE-4247115379	391.42	IGSPBWBAHSTFQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120092
COc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1[N+](=O)[O-]	MCULE-2090463318,EMOLS-id_328218751	391.42	XJFQETMXACYPLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120093
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(s1)c1ccno1	SCHEMBL14057240,PC-id_89238484	391.422	WWYQMJCEFVYHQE-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-120094
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(s1)c1cnco1	SCHEMBL14057187,PC-id_89238440	391.422	LFNXBLDWGBTEJA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-120095
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(o1)c1ccno1	SCHEMBL14055050,PC-id_89236594	391.422	WGUYEUVTBMWZBB-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-120096
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)COc1ccccc1	MCULE-8937332470,EMOLS-id_168604206	391.423	VSENOLYFZZIQRF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120097
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccc(nc2)OC)n1	MCULE-3858329278	391.423	BEPAATJXGVLRAV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120098
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccc(nc2)OC)n1	MCULE-5813958400,EMOLS-id_316332343	391.423	BEPAATJXGVLRAV-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120099
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)COc3ccccc3)Cc12	EMOLS-id_316321596,MCULE-8914488686	391.423	FGKFMNDAZXUOAA-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120100
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68439849,SCHEMBL2916128	391.423	FNGXPQCDLSQCTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120101
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68441103,SCHEMBL2919886	391.423	ODSLPJAUPVBOKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120102
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL2916161,PC-id_68439861	391.423	ZEOAZKOGFDZHRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120103
COc1cccc(c1)C(=O)Nn1ncc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL7159998,PC-id_70007980	391.423	UGTPTOPDOCWUEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120104
O=C(N1Cc2c([nH]nc2NC(=O)COc2ccccc2)C1)NCc1ccccc1	PC-id_68442600,SCHEMBL2923899	391.423	BVIINVBLKRMRSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120105
O=C(N1Cc2n(ncc2C1)NC(=O)COc1ccccc1)NCc1ccccc1	PC-id_70008820,SCHEMBL7162725	391.423	QHAPKLGUVCHPGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120106
O=C(NC1Cc2n(C1)ncc2C(=O)NCc1cccnc1)COc1ccccc1	MCULE-6195526049	391.423	FGKFMNDAZXUOAA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120107
c1(C(=O)N2CCN(CC2)c2ncccn2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316324153,MCULE-9121547908	391.426	TYRYSTCOQBTCOM-KRWDZBQOSA-N	00000010100010101001100010000000000000000000000000000000	25-01-120108
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1cc([nH]n1)C1CC1	EMOLS-id_316318015,MCULE-2324375230	391.426	ICTVHXWHFLDOSM-AWEZNQCLSA-N	00100010100000101001100010000000000000000000000000000000	25-01-120109
O=C(c1cnn2c1CC(C2)NC(=O)c1n[nH]c(c1)C1CC1)NCc1cccnc1	MCULE-8255905030	391.426	ICTVHXWHFLDOSM-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-120110
c1(CN(C2CCCC2)C(=O)c2ccccc2C(F)(F)F)c2CCCc2n(C)n1	MCULE-9676835788,PC-id_86266572,EMOLS-id_50145312	391.43	CWSPGYVFIXGEJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120111
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cccc(c1)C(F)(F)F	PC-id_92109786	391.43	OCTNIPVPUVVGCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120112
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)C(F)(F)F	PC-id_92109787	391.43	OJWDGSZHMJFKPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120113
CC(C1NCc2c1nc(s2)NS(=O)(=O)c1cccc(c1)C(F)(F)F)C	PC-id_140763648	391.432	DXNILNHOPJTMQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120114
Fc1cc(CN2C(=O)[C@@](O)(CCC2)C[NH2+]Cc2n[nH]c3c2CCC3)ccc1F	PC-id_25286238	391.435	CKOUHVBKMZGBSK-HXUWFJFHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-120115
Fc1cc(CN2C(=O)[C@](O)(CCC2)C[NH2+]Cc2n[nH]c3c2CCC3)ccc1F	PC-id_25286241	391.435	CKOUHVBKMZGBSK-FQEVSTJZSA-O	00000010100010110001000010000000000000000000000000000000	25-01-120116
Fc1c(CN2C(=O)[C@](O)(CCC2)C[NH2+]Cc2n[nH]c3c2CCC3)cccc1F	GD-id_ZINC12446275,PC-id_25286550	391.435	OZJJVMKQXRVQMM-FQEVSTJZSA-O	00000010100010110001000010000000000000000000000000000000	25-01-120117
Fc1c(CN2C(=O)[C@@](O)(CCC2)C[NH2+]Cc2n[nH]c3c2CCC3)cccc1F	PC-id_25286548	391.435	OZJJVMKQXRVQMM-HXUWFJFHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-120118
s1c2CCCc2c(c1NC(=O)CN(Cc1ccc(OC(F)F)cc1)C)C#N	PC-id_8111300	391.435	ADILNFFFIYTWIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120119
s1c2CCCc2nc1NC(=O)C1CCN(CC1)C(=O)c1c(F)cc(F)cc1	PC-id_33041010	391.435	ARQCJUHPQYZURA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120120
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	CoCoCo_352542,BAS-06653611,PC-id_3154348,ZINC22_4454418,EMOLS-id_1483780,MCULE-5937567816,STOCK3S-08468	391.438	YEJJLJINZUVEMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120121
CC(Oc1ccc(cc1)C(=O)c1n2CCC(c2cc1S(=O)(=O)C)C(=O)O)C	PC-id_20235116,SCHEMBL10811964	391.438	GHBTXNKXKXMXPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120122
CCOc1ccc(cc1)C(=O)c1n2CCC(c2cc1S(=O)(=O)C)C(=O)OC	SCHEMBL10816718,PC-id_20235093	391.438	CDHNAMIFAKBHDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120123
COC(=O)c1ccc(COC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)o1	CoCoCo_2879743,ZINC22_6785123,MCULE-9729168663,PC-id_4791864,EMOLS-id_3441971	391.438	AAWAGCNKCQFSDV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120124
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(OC)c(OC)c(OC)c1	PC-id_16505588	391.438	SMUPDUIOXAFIRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120125
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)OC(C)(C)C	PC-id_43020775	391.438	BYTFRSFQRQVDRZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120126
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(oc(c1)C)C)C(=O)OCC	PC-id_7844368	391.438	JKLBWNSKDSKGPL-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120127
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1occc1)C(=O)OCC	PC-id_8387637	391.438	IJWSGWBRJXTQTF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120128
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)n(C)nc(C(=O)OCC)c1	ZINC22_5672928,SPECS-id_AK-968/41169663,EMOLS-id_4069499,CoCoCo_5808744,PC-id_3520817,MCULE-3194871100	391.441	IFCNAVOUMAJCCW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120129
COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1onc2CCCc12	MCULE-1980760905,EMOLS-id_12336753,PC-id_16942438	391.441	RFNIGHHKVXGNFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120130
COc1cc(cc(OC)c1OC)C(=O)NCC(=O)Nc1nc2CCCc2s1	MCULE-9544153074,PC-id_30796778,EMOLS-id_25658614,CoCoCo_4626361,ZINC22_23040856	391.441	KRIJEDYBCDWKGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120131
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2onc3c2CCC3)cc1	ZINC22_8976533,CoCoCo_5123888,PC-id_40894082	391.441	RFNIGHHKVXGNFJ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120132
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2onc3c2CCC3)cc1	ZINC22_8976534,PC-id_40894083,CoCoCo_5123889	391.441	RFNIGHHKVXGNFJ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120133
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(CCC)c(=O)n(c1=O)C)N	PC-id_16505633	391.441	GRSPCKNJFHMDTJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120134
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(noc1C)CC)C)C(=O)N	PC-id_9059778	391.441	PQJWFCCJWUPQSK-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-120135
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(noc1C)CC)C)C(=O)N	PC-id_9059784	391.441	PQJWFCCJWUPQSK-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120136
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(noc1C)CC)C)C(=O)N	PC-id_84918202	391.441	PQJWFCCJWUPQSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120137
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(onc1C)C(C)C)C(=O)N	PC-id_8507365	391.441	HSINJRPEXYJISV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120138
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1c(onc1C)C)C)C(=O)N	PC-id_43015363	391.441	QYIJMBWSRFLMJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120139
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1c(onc1C)C)C(=O)N	PC-id_8265052	391.441	KGYKNHMBKSVJGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120140
c1(C#N)c2CCCc2sc1/N=C/c1ccc(c2ccc(c(C)c2C)N(=O)=O)o1	MCULE-1991140488,TIMTEC192200,EMOLS-id_26817659,PC-id_9600560,ZINC22_714038,CoCoCo_1946814	391.443	HIISUUZYKHUQKD-FOKLQQMPSA-N	00000010101000110000100010000000000000000000000000000000	25-01-120141
c1(C#N)c2CCCc2sc1N=Cc1ccc(c2ccc(c(C)c2C)N(=O)=O)o1	PC-id_1041618,MCULE-9464496560	391.443	HIISUUZYKHUQKD-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-120142
c1(NC(=O)c2cccc(c2)C#N)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334342564,MCULE-2770274533	391.443	MCGSHKWIDSLMES-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-120143
Cc1cc([N+](=O)[O-])c(C)cc1c1ccc(/C=N/c2sc3c(c2C#N)CCC3)o1	ZINC22_3202294,PC-id_9590782,BAS-00301678,CoCoCo_34723	391.443	OISJMAJNDDNBJN-FOKLQQMPSA-N	00000010101000110000100010000000000000000000000000000000	25-01-120144
CCNc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C)F	PC-id_59333991,SCHEMBL3325530	391.443	QUDVMKJXMQHSJU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120145
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324915208	391.443	NQYQPXJUXNPBNO-JLDLUELGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120146
CCOc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1O	EMOLS-id_324917513	391.443	MSJXAWCCNUPOJL-VBEVGYOXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120147
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1O	EMOLS-id_324916493	391.443	UIVKJUXAYSHAQW-BLPDYOKRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120148
COc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_45970102,ZINC22_27021542	391.443	SSULBTAEWFZHHN-JLDLUELGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120149
COc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	ZINC22_16779402	391.443	SSULBTAEWFZHHN-CSUMZAAXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120150
COc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c(OC)c1	EMOLS-id_206996874,ZINC22_5179980,STOCK4S-48172	391.443	LKEJREBINGESJW-SAYABCIWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120151
COc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1OC	ZINC22_27022565,EMOLS-id_45970516	391.443	DMOAMJZJTLASBG-JLDLUELGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120152
COc1ccc(/C=C/c2nc3s/c(=C/c4ccccc4OC)/c(=O)n3n2)cc1	ZINC22_27022057,EMOLS-id_45970292	391.443	AJIRLUXZNCYEEY-HEMGCLFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120153
COc1ccc(/C=C/c2nc3s/c(=C/c4cccc(OC)c4)/c(=O)n3n2)cc1	ZINC22_16807431	391.443	VYVQLKAXZCJFCB-AXXDXGDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120154
COc1ccc(/C=C/c2nc3s/c(=Cc4cccc(OC)c4)/c(=O)n3n2)cc1	ZINC22_27022224,EMOLS-id_45970354	391.443	VYVQLKAXZCJFCB-XASRFGTQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120155
COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(OC)cc4)/c(=O)n3n2)cc1	ZINC22_16807433,EMOLS-id_45970294	391.443	FPISCZOHBIXXIK-NTIJCTKGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120156
COc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1OC	ZINC22_5164123,STOCK4S-42397,EMOLS-id_206988393	391.443	RVWHDMPIEUDXSL-VBEVGYOXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120157
COc1ccc(OC)c(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_27021631,EMOLS-id_45970138	391.443	GNNOWCNWQKHQNP-XASRFGTQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120158
n12nc(nc1sc(=Cc1ccccc1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-2945389552	391.443	DMOAMJZJTLASBG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120159
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)C=Cc1ccc(cc1)OC	MCULE-4007558101	391.443	FPISCZOHBIXXIK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120160
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)C=Cc1ccc(cc1)OC	MCULE-9681425128	391.443	AJIRLUXZNCYEEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120161
n12nc(nc1sc(=Cc1ccc(cc1OC)OC)c2=O)C=Cc1ccccc1	MCULE-1466664280	391.443	LKEJREBINGESJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120162
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)C=Cc1ccc(cc1)OC	MCULE-2211037622	391.443	VYVQLKAXZCJFCB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120163
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)C=Cc1ccccc1	MCULE-3359396151	391.443	RVWHDMPIEUDXSL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120164
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)C=Cc1ccccc1	MCULE-8136385455	391.443	SSULBTAEWFZHHN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120165
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)C=Cc1ccccc1	MCULE-3697281315	391.443	MSJXAWCCNUPOJL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120166
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-2306188185	391.443	UIVKJUXAYSHAQW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120167
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)C=Cc1ccccc1	MCULE-3454474551	391.443	NQYQPXJUXNPBNO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120168
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)C=Cc1ccccc1	MCULE-8351260853	391.443	GNNOWCNWQKHQNP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120169
N#Cc1c(/N=Cc2ccc(o2)c2ccc(c(c2C)C)[N+](=O)[O-])sc2c1CCC2	CoCoCo_1946815	391.443	HIISUUZYKHUQKD-KSEXSDGBSA-N	00000010101000110000100010000000000000000000000000000000	25-01-120170
N#Cc1c(/N=Cc2ccc(o2)c2cc(C)c(cc2C)[N+](=O)[O-])sc2c1CCC2	CoCoCo_34724	391.443	OISJMAJNDDNBJN-KSEXSDGBSA-N	00000010101000110000100010000000000000000000000000000000	25-01-120171
N#Cc1c(N=Cc2ccc(o2)c2cc(C)c(cc2C)N(=O)=O)sc2c1CCC2	MCULE-8815228566,PC-id_3098530	391.443	OISJMAJNDDNBJN-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-120172
c1(C(=O)N2CCN(CC2)S(=O)(=O)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316324157,MCULE-4904849436	391.445	LCNJGGVDVHQFSM-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-120173
c1(NC(=O)C(=O)NCc2ccccn2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_5625844,CoCoCo_5190622,MCULE-2212527609,PC-id_18586565,ZINC22_10250669	391.445	VHERLYINFJFMHA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120174
c1(NC(=O)C(=O)NCc2cccnc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-7260918770,EMOLS-id_5625842,PC-id_18586564,ZINC22_10250668,CoCoCo_5190621	391.445	QVCCSEBJXMLOBR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120175
c1(NC(=O)C(=O)NCc2ccncc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_10250683,MCULE-6300602109,PC-id_18586570,CoCoCo_5190627,EMOLS-id_5625854	391.445	HHMHDZKLFLSFJQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120176
COc1cc(ccc1S(=O)(=O)N1CCCC1)NC(=O)N1CCn2c1ncc2	EMOLS-id_316655452	391.445	UUAJHWHKKAQLEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120177
NC(=O)c1cc(ccc1NS(=O)(=O)c1cnc2n1CCC2)N1CCOCC1	EMOLS-id_100970755	391.445	AXYQPDONQLJGEZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120178
s1c2c(CCC2)c(c1Nc1nc(NCC(C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127475	391.448	JZJMJHVCQXDMMK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120179
s1c2c(CCC2)c(c1Nc1nc(NCCCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127481	391.448	QJWMPISGOWWKQQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120180
s1c2c(CCC2)c(c1Nc1nc(NC(CC)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787946	391.448	CWNOBILWGVGSSI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120181
s1c2c(CCC2)c(c1Nc1nc(N[C@@H](CC)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127513	391.448	CWNOBILWGVGSSI-SSDOTTSWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120182
s1c2c(CCC2)c(c1Nc1nc(N[C@H](CC)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127514	391.448	CWNOBILWGVGSSI-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120183
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(F)c(OC)cc1)C)C(=O)N	PC-id_9432026	391.46	QFNVXPKLHMSDCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120184
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)C=Cc1ccc(cc1)F	MCULE-6025171458	391.461	ZNQRBISJZAUPPR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120185
CCOC(=O)c1cc(C)[nH]c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-4595194452,EMOLS-id_328221309	391.463	HUVWKKPEOZBCSX-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-120186
COc1cc(N)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1OC	MCULE-9271277105,EMOLS-id_328223859	391.463	LMZJKSVMGRFIBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120187
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCC(=O)c1ccccc1	PC-id_92109271	391.463	ZUYCXRILEMAVLM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-120188
c1(NC(=O)C(=O)NN=Cc2sccc2C)sc2c(CCC2)c1C(=O)OC	PC-id_3365622,MCULE-6647947100	391.465	QXAUNILWBWGIRW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120189
c1(NC(=O)CS(=O)CC(=O)NCc2ccco2)sc2c(CCC2)c1C#N	MCULE-7478754579,EMOLS-id_320676457	391.465	GLGZTXKSYUXJJW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120190
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1ccc(cc1)[N+](=O)[O-]	PC-id_46893673,SCHEMBL3397824	391.465	NPUTUHZDCJHJOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120191
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2sccc2C)sc2c1CCC2	EMOLS-id_26346024,PC-id_9666023,STOCK4S-63088	391.465	QXAUNILWBWGIRW-QGMBQPNBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120192
O=C([C@@H](C(C)(C)C)NC(=O)O)N1CCC(CC1)CN1Cc2n(C1=O)c(nc2)C	SCHEMBL3448607,PC-id_68646792	391.465	GORAYEHNCDFBIL-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120193
O=C(N1CCC(CC1)CN1Cc2n(C1=O)c(nc2)C)C(NC(=O)O)C(C)(C)C	PC-id_23138264	391.465	GORAYEHNCDFBIL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120194
s1c2CCCc2cc1C(=O)NNC(=O)C(Sc1ccc([N+](=O)[O-])cc1)C	PC-id_51192665	391.465	GFCVYXYOMNKYEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120195
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SC)nccc1)C(=O)N	PC-id_3562190	391.465	KXSRPKKDYMBGQA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-120196
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1nc(sc1)C)C(=O)N	PC-id_41683067	391.465	XSWNIVAGHOZJTJ-AATRIKPKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120197
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1nc(sc1)C)C(=O)N	PC-id_74769103	391.465	XSWNIVAGHOZJTJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120198
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1sccc1)C(=O)OCC	PC-id_4645207	391.465	NLWYGWLVVAUHIC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120199
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1sccc1)C(=O)OCC	PC-id_9680795	391.465	NLWYGWLVVAUHIC-GIJQJNRQSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120200
s1c2c(CCC2)c(c1NC(=S)Nc1c(ccc([N+](=O)[O-])c1)C)C(=O)OC	PC-id_17300145	391.465	CBIHMKAVBDGJGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120201
s1c2c(CCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_20412483	391.465	IHPKNWDLGCMTIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120202
s1c2c(CCC2)c(c1NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_8659222	391.465	DFHOMKAXSIUADJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120203
s1c2c(CCC2)c(c1NC(=S)Nc1c(c([N+](=O)[O-])ccc1)C)C(=O)OC	PC-id_20408410	391.465	GBWUAWSXZVRWHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120204
s1c2c(CCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(cc1)C)C(=O)OC	PC-id_20415084	391.465	VJCUHWWJSPCEIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120205
s1c2c(CCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(cc1)C)C(=O)OC	PC-id_20412607	391.465	BXCAHJCHQMTNCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120206
c1(C(=O)NCCCN(C)c2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-3696972763,EMOLS-id_316323646	391.466	JCIAPNMBMDKLCS-FQEVSTJZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120207
O[C@@H]1CC(C[C@H]1NC(=O)c1nn2c(c1)CCC2)Cn1ccnc1c1ccccc1	EMOLS-id_324005836,PC-id_146110630,MCULE-6618589759	391.466	BXAKGPVDTFSLCX-RMNMTYGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120208
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1noc(c1)c1cccnc1	PC-id_92109920	391.466	BJCDOECTYSKRKU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-120209
O=C(N[C@@H]1C[C@H](Cn2ccnc2c2ccccc2)C[C@H]1O)c1cc2n(n1)CCC2	ZINC22_1875402205	391.466	BXAKGPVDTFSLCX-QKYXUNIQSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120210
O=C(N[C@@H]1C[C@@H](Cn2ccnc2c2ccccc2)C[C@H]1O)c1cc2n(n1)CCC2	ZINC22_1875402206	391.466	BXAKGPVDTFSLCX-XFQXTVEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120211
O=C(NS(=O)(=O)c1cnc2n1CCC2)CN1CCN(CC1)S(=O)(=O)C	EMOLS-id_110466245	391.466	YLEXSPXSDJSDEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120212
CC(=O)N1CCN(CC1)C(=O)C1CCc2nnc(n12)CNC(=O)NC(C)(C)C	PC-id_134798699	391.468	NEPAATLCVCMORK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120213
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cccc(c1)n1cnnn1	PC-id_92109673	391.47	WGSSSRHNICQGCU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120214
CC(=O)NCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335757473,MCULE-8810741746	391.471	HFMYRROGEUFHKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120215
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(F)cc1)C)C(=O)OCC	PC-id_2700074	391.48	GAGIGXATHSUJLD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-120216
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(F)ccc1)C)C(=O)OCC	PC-id_8023128	391.48	MSDCURRGDQBYLO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-120217
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(F)cccc1)C)C(=O)OCC	PC-id_8023137	391.48	NOLAQAAVTJYCKF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-120218
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-6553709884,EMOLS-id_4069640,PC-id_4748090,TIMTEC142359	391.481	FELSALOMWGPMNN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-120219
CCCCCN1c2ccsc2C(C1=O)(CO)/C(=C/C1=C(C=C)OCO1)/CO	PC-id_143313988	391.481	JPQQYHORNOQGCL-GXDHUFHOSA-N	00000011100000000001000010000000000000000000000000000000	25-01-120220
CCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCC2	PC-id_996388,CoCoCo_5837490,ZINC22_4662437	391.481	FELSALOMWGPMNN-UONOGXRCSA-N	00000010100011000000000010000000000000000000000000000000	25-01-120221
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCC2	PC-id_996389,CoCoCo_5837488,ZINC22_5408483	391.481	FELSALOMWGPMNN-ZIAGYGMSSA-N	00000010100011000000000010000000000000000000000000000000	25-01-120222
CCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCC2	PC-id_996390,ZINC22_5408484,CoCoCo_5837489	391.481	FELSALOMWGPMNN-KBPBESRZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-120223
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCC2	PC-id_996391,CoCoCo_5837491,ZINC22_5408482	391.481	FELSALOMWGPMNN-KGLIPLIRSA-N	00000010100011000000000010000000000000000000000000000000	25-01-120224
c1(ccccc1c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-2403486959,EMOLS-id_327877146	391.483	ZGQVRMSINBAPGH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120225
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	BAS-00675465,SPECS-id_AN-153/I120926,SPECS-id_AG-690/11663688,EMOLS-id_1260444,SPECS-id_AT-084/J158086,CoCoCo_116409,ZINC22_2058453,PC-id_1722676,MCULE-3290132380,TIMTEC382876	391.483	PMVBNYAKDAIKFO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120226
c1(NC(=O)c2ccc(cc2)Cc2ccccc2)sc2c(CCC2)c1C(=O)OC	ZINC22_4200611,EMOLS-id_4949478,PC-id_4618224,MCULE-3682512897,CoCoCo_5021453	391.483	GEEJSTAEHYQDCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120227
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2198579,ZINC22_2746809,MCULE-4990956222,ChEMBL-DNDi_CHEMBL7253862,CoCoCo_901089,PC-id_2165200,SPECS-id_AK-968/12715447,TIMTEC187422	391.483	HDAOGOVZWXDPMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120228
Cc1ccc(cc1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331259242	391.483	ULJRHMSWDGQHLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120229
OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2cc3CCCc3s2)cc1	EMOLS-id_313802556,ZINC22_585091703	391.483	AVJWEFHMIMAEOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120230
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(c2ccccc2)cccc1)C	PC-id_18291590	391.483	OZBSIJCBEFTCOC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120231
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(Cc2ccccc2)cccc1	PC-id_7623623	391.483	LODAROCDSGCDRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120232
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1	PC-id_7238941	391.483	SAIGHKQRIMNDGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120233
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1c(c2ccccc2)cccc1)C	PC-id_7238821	391.483	OZBSIJCBEFTCOC-HNNXBMFYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120234
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(c2ccccc2)cccc1)C	PC-id_7238822	391.483	OZBSIJCBEFTCOC-OAHLLOKOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120235
s1c2CCCc2c(c1N=Cc1ccc(OCc2ccccc2)cc1)C(=O)OC	PC-id_24046518	391.483	SOGQBTUBMPFWKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120236
s1c2CCCc2c(c1N=Cc1cc(OCc2ccccc2)ccc1)C(=O)OC	PC-id_23963115	391.483	DVDITCMHDOUXAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120237
s1c2CCCc2c(c1N=Cc1c(OCc2ccccc2)cccc1)C(=O)OC	PC-id_24016564	391.483	BUTYZYVGTLFNQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120238
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)n(C)nc2CSCc12	EMOLS-id_334565044,MCULE-4175173856	391.484	RBJSLMREOTWJAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120239
c1(NC(=O)Cc2ccc(cc2)OCC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_5077913,EMOLS-id_12136952,MCULE-2261914618,PC-id_7484598,CoCoCo_5065651	391.484	HRVQUAUKLOYIHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120240
c1(NC(=O)Cc2ccc(c(OC)c2)OC)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_30135169,MCULE-7436749562,PC-id_2160209	391.484	RVLWWWRHIRPAQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120241
c1(NC(=O)CCc2ccc(cc2)OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_5077922,MCULE-5178360986,EMOLS-id_5531015,CoCoCo_5065656,PC-id_7484606	391.484	CGAWMHAKJVRCEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120242
CC(Oc1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)C	EMOLS-id_16383072,PC-id_4592903,ChEMBL-DNDi_CHEMBLF0541-0047,MCULE-4861168447,CoCoCo_2666489	391.484	WUDZAKKAJPNCDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120243
CCOc1ccc(cc1)N/C=C/1Sc2[n+](C1=O)c(c(s2)C(=O)OCC)C	PC-id_51059458,SPECS-id_AT-225/NB55432	391.484	XHBVAMQEEIYCEC-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-120244
COc1cc(cc(c1OC)OC)C(=O)Nc1c2CSCc2nn1C(C)(C)C	CoCoCo_4972601,PC-id_4251146	391.484	IDFYXOQCXCSAGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120245
COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1OC	PC-id_11877603,ZINC22_2724842	391.484	RVLWWWRHIRPAQD-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120246
COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1OC	ZINC22_4105656,PC-id_11863772	391.484	RVLWWWRHIRPAQD-MHZLTWQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-120247
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C1CCCCCC1)C(=O)OCC	PC-id_4110080	391.484	BAYWUTBYLRAHMD-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-120248
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=CC1CCCCC1)C(=O)OCC	PC-id_3498493	391.484	LFXYSKQTBXJAPU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120249
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/C1CCCCC1)C(=O)OCC	PC-id_9623298	391.484	LFXYSKQTBXJAPU-RGVLZGJSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120250
c12c(CCC1C(=O)Nc1ccc(cc1)CC)sc(NC(=O)c1ccccc1)n2	PC-id_16947081,EMOLS-id_28193458,MCULE-9000285035	391.486	GGTGAAIBSQSACO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120251
c12c(CCC1C(=O)NCCc1ccccc1)sc(NC(=O)c1ccccc1)n2	PC-id_16947066,MCULE-2120822831,EMOLS-id_12346193	391.486	ZXQYCDSNTYJRQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120252
c1(c2CCCc2sc1N=Cc1ccccn1)C(=O)Nc1ccccc1OCC	MCULE-2902557195,PC-id_3705715	391.486	PDKYZNAGVHPYKN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120253
c1(c2CCCc2sc1N=Cc1ccncc1)C(=O)Nc1ccccc1OCC	MCULE-2587831208,PC-id_3729063	391.486	BMMYGZIBTIUNMQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120254
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)NCc1cccnc1	EMOLS-id_2180432,CoCoCo_855181,ZINC22_4561360,MCULE-4980584558,PC-id_2919770	391.486	OVADIPOWJWIAHM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120255
c1(NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_2987095,MCULE-6592531020,CoCoCo_582470,ZINC22_4840270,TIMTEC478410,EMOLS-id_2527542	391.486	UJIFUTNYGGOOHT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120256
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	CoCoCo_6330761,ZINC22_27664150,EMOLS-id_9388313,TIMTEC188951,PC-id_17013336,MCULE-4785362611	391.486	HESODBBINKHBLO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120257
c1(NC(=O)c2ccccn2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334335393,MCULE-4926307081	391.486	XGKCNLXVMUQXDH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120258
c1(NC(=O)c2cccnc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1795106769,EMOLS-id_334329762	391.486	AGRLKUXFKSAJSR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120259
c1(NC(=O)c2ccncc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330287,MCULE-9437169972	391.486	NYDIEMOCIPMWAS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120260
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)n(C)nc2CSCc12	MCULE-1044614743	391.486	MUNGDSFVPIRHLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120261
c1(NC(=O)C(=Cc2ccc(cc2)OC)c2ccccc2)n(C)nc2CSCc12	MCULE-8031813654	391.486	QVQNLGXWOKBUCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120262
CCc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324852979	391.486	PPZNPFQZLYRZHW-CYVLTUHYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120263
CCc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324872197	391.486	RIOGLSQGQDQNPE-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120264
CCc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324874248	391.486	MOXPQEAKHLRVFC-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120265
CCc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324880394	391.486	SNEGGWPZZAMKMH-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120266
CCc1ccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)cc1	EMOLS-id_324887558	391.486	LEBHFOAVXXIRJE-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120267
CCc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	CoCoCo_5124706,ZINC22_9131260,PC-id_40945214	391.486	GGTGAAIBSQSACO-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120268
CCc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	PC-id_40945215,CoCoCo_5124707,ZINC22_9131261	391.486	GGTGAAIBSQSACO-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120269
CCc1ccc(OCc2nc3s/c(=Cc4ccc(CC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324882445	391.486	KEFTTWGLJPEKKR-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120270
CCC(c1ccccc1)CNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	PC-id_145832499	391.486	DAGBMUPFAQIMTP-BOPFTXTBSA-N	00000010110000110000000010000000000000000000000000000000	25-01-120271
CC(C)c1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324848378	391.486	VVLSORNWTGYGGF-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-120272
CC(C)c1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324866563	391.486	WLRDBYXPBAYZAR-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120273
CC(C)(C)c1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324839679	391.486	FZJKGAZSINNQMY-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-120274
CC(C)(C)c1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324852455	391.486	YZWNVSCHKUZVLH-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-120275
CC(C)Cc1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324858596	391.486	SVZCQPIQEVEGNE-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120276
CCC(CNC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1)c1ccccc1	PC-id_91114136	391.486	DAGBMUPFAQIMTP-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-120277
CCCOc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324838140	391.486	BOUMSGPTUDHJAE-CYVLTUHYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120278
CC(C)Oc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324839164	391.486	BJLRFICNGSSLDK-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-120279
C[C@H](NCc1[nH]cc2c1CCS2(=O)=O)c1ccc(c2cccc(C#N)c2)cc1	ZINC22_2325859828	391.486	LZENKAXZVLNBKP-HNNXBMFYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120280
C[C@@H](NCc1[nH]cc2c1CCS2(=O)=O)c1ccc(c2cccc(C#N)c2)cc1	ZINC22_2325859829	391.486	LZENKAXZVLNBKP-OAHLLOKOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120281
CCOc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1ccccn1	EMOLS-id_46413471,CoCoCo_6728434,PC-id_9631962,TIMTEC374473,ZINC22_4545641	391.486	PDKYZNAGVHPYKN-ZVHZXABRSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120282
CCOc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1ccncc1	CoCoCo_6728502,ZINC22_4545643,EMOLS-id_46413525,PC-id_9633135,TIMTEC79657	391.486	BMMYGZIBTIUNMQ-ZVHZXABRSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120283
CCOc1ccccc1NC(=O)c1c(/N=Cc2ccccn2)sc2c1CCC2	CoCoCo_6728435	391.486	PDKYZNAGVHPYKN-OYKKKHCWSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120284
CCOc1ccccc1NC(=O)c1c(/N=Cc2ccncc2)sc2c1CCC2	CoCoCo_6728503	391.486	BMMYGZIBTIUNMQ-OYKKKHCWSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120285
CCOc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324903949	391.486	NACNLYGLKYALPN-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-120286
CCOc1cccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324910593	391.486	AQKGGVXRYZRLHL-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-120287
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1	EMOLS-id_334564797	391.486	MUNGDSFVPIRHLM-FMIVXFBMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120288
COc1ccc(/C=C(/C(=O)Nc2c3CSCc3nn2C)c2ccccc2)cc1	EMOLS-id_334563514	391.486	QVQNLGXWOKBUCR-LDADJPATSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120289
n12c(=O)c(=Cc3cccc(c3)OCc3ccccc3)sc1nc(C(C)(C)C)n2	MCULE-1752439146	391.486	YZWNVSCHKUZVLH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120290
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)CCCOc1ccccc1	MCULE-6800367963	391.486	PPZNPFQZLYRZHW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120291
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)COc1ccc(cc1)CC	MCULE-6406801299	391.486	KEFTTWGLJPEKKR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120292
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)COc1cc(C)ccc1C	MCULE-8743138062	391.486	SNEGGWPZZAMKMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120293
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)COc1cccc(CC)c1	MCULE-9248051047	391.486	LEBHFOAVXXIRJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120294
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)COc1ccc(cc1)C	MCULE-7735944311	391.486	WLRDBYXPBAYZAR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120295
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1ccccc1	MCULE-2252250816	391.486	FZJKGAZSINNQMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120296
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CC(C)C	MCULE-4928568473	391.486	SVZCQPIQEVEGNE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120297
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)CCc1ccc(cc1)C	MCULE-1333061634	391.486	NACNLYGLKYALPN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120298
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)COc1c(C)cccc1C	MCULE-7161484229	391.486	RIOGLSQGQDQNPE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120299
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)COc1cccc(C)c1C	MCULE-8836642013	391.486	MOXPQEAKHLRVFC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120300
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)CCOc1ccccc1	MCULE-6455160804	391.486	VVLSORNWTGYGGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120301
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCc1ccc(cc1)C	MCULE-3527901112	391.486	AQKGGVXRYZRLHL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120302
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCc1ccccc1	MCULE-3537222277	391.486	BJLRFICNGSSLDK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120303
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCc1ccccc1	MCULE-8129226449	391.486	BOUMSGPTUDHJAE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120304
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCCc1ccccc1)c1ccccc1	CoCoCo_5124698,ZINC22_9131223,PC-id_40945180	391.486	ZXQYCDSNTYJRQT-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120305
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCCc1ccccc1)c1ccccc1	PC-id_40945181,ZINC22_9131224,CoCoCo_5124699	391.486	ZXQYCDSNTYJRQT-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120306
s1c2CCCc2c(c1NC(=O)CN(Cc1ccccc1)Cc1occc1)C#N	PC-id_24428581	391.486	IBXXVSDYTCGGGK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-120307
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(cccc1)C	PC-id_16947555	391.486	UGAGNQDSEWXMRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120308
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(ccc1)C	PC-id_16947556	391.486	RWFHIOXOVGLPJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120309
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)C	PC-id_16947557	391.486	BMBXVWDUVULQIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120310
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCc1ccccc1	PC-id_16947531	391.486	VZPNSQDUCJKDAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120311
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_16947109	391.486	AJZASKKKZAENHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120312
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(cc(cc1)C)C	PC-id_16947110	391.486	VMFGGQCKTYPOFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120313
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_16947111	391.486	CYFPIHNNWNAIGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120314
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_16947112	391.486	HNMNYBHGFVRCGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120315
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(cccc1C)C	PC-id_16947113	391.486	YFPPYOLDNGIFLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120316
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_16947114	391.486	BKFULARLSDCKNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120317
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(CC)cccc1	PC-id_16947080	391.486	VMNVBNKCTVZTRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120318
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCc1ccc(cc1)C	PC-id_16947058	391.486	XPJFSRRMHRJZEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120319
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NC(c1ccccc1)C	PC-id_16947060	391.486	GATJJMLIXYJCDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120320
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCCCCc1ccccc1	PC-id_22976052	391.486	ISNPBVWWKGJIRY-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-120321
Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)cc(S(=O)(=O)N(C)C)c1C	MCULE-4487349481,PC-id_45887277,CoCoCo_4880099,ZINC22_40092643,EMOLS-id_29696835	391.488	MLZMONFBXMBVLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120322
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1	PC-id_40124232,CoCoCo_4560455,ZINC22_32889095	391.488	RQRLSLPBVMRVGJ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120323
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1	ZINC22_32889097,PC-id_40124234,CoCoCo_4560456	391.488	RQRLSLPBVMRVGJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120324
CC(c1onc(n1)C1COCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C)C	EMOLS-id_102005748	391.488	PXDDLWPUAIWJQQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120325
CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1nnc2n1CCC2	ZINC22_72271447,PC-id_95760828	391.488	RDKTWSWYDYQTRZ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120326
CC(C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1nnc2n1CCC2	ZINC22_72271448,PC-id_95760829	391.488	RDKTWSWYDYQTRZ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120327
CC(C(C(=O)NCc1nnc2n1CCC2)NS(=O)(=O)c1ccc(cc1)C)C	PC-id_42934306,EMOLS-id_24994585,MCULE-2672644936	391.488	RQRLSLPBVMRVGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120328
CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2nnc3n2CCC3)ccc1C	EMOLS-id_18870752,MCULE-2811680667,CoCoCo_4560408,ZINC22_22190757,PC-id_30093532	391.488	OMOWZONFBNGRGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120329
O=C1NC(=O)C(N1)(C)CC1CCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009036	391.488	MTFYHFKGLUPUPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120330
O=C(CN(S(=O)(=O)c1ccccc1)C)NC(c1nnc2n1CCC2)C(C)C	MCULE-7861521878,PC-id_72139041,EMOLS-id_42884715	391.488	RDKTWSWYDYQTRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120331
s1c2c(CCC2)c(c1NC(=O)CSc1nc(CCC)cc([O-])n1)C(=O)N	PC-id_25898147	391.488	NUICFBYWNXEVGV-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-120332
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cnn(c2ccccc2)c1	CoCoCo_4234483,PC-id_16367227,CoCoCo_4234482,MCULE-8939009607,ZINC22_9516386,EMOLS-id_3702150	391.489	IRYXOJRUIQXWJE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120333
CCOC(=O)c1sc(nc1C)C(NC(=NC)NCc1nnc2n1CCC2)C	PC-id_109696453	391.491	CRCLEBVJNZRITQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120334
[N-]=[N+]=N[C@H]1CC[C@@H](C[C@H]1NC(=O)c1sc2c(n1)CN(C2)C)C(=O)N(CC)C	PC-id_59677073,SCHEMBL13619000,SCHEMBL1504214	391.491	CNBBUVUIXRNPIM-SDDRHHMPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120335
s1c(nc2c1CN(C2)C)C(=O)NC1CC(CCC1N=[N+]=[N-])C(=O)N(CC)C	PC-id_76831737	391.491	CNBBUVUIXRNPIM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120336
CCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CCC2C(=O)OCCC(C)C	SCHEMBL10818164	391.503	VBQZNOMCXWNMQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120337
CCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)CC	SCHEMBL10816363	391.503	YBFOQSHJIXPPSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120338
Fc1cccc(c1)CS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110045	391.503	QFDIOLKGXQTONO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120339
Fc1ccc(cc1)CS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110046	391.503	JBQCCTUWXJTCKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120340
Fc1ccccc1CS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110072	391.503	CSMPQEIBMXAUDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120341
Fc1ccc(c(c1)C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110089	391.503	CWHROHGWDGPQSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120342
c12CN(Cc1nn(CC1CCCC1)c2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	EMOLS-id_324346980,MCULE-2569277609	391.504	UUDIDMYDSGDSML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120343
COC(=O)c1c(NC(=O)CSCc2ccc(OC)cc2)sc2c1CCC2	ZINC22_408575304	391.504	JMKZSGFSPBPEDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120344
s1c2c(CCC2)c(c1NC(=O)CCSc1ccc(OC)cc1)C(=O)OC	PC-id_41324948	391.504	SBVGCVZPABZIJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120345
s1c2c(CCC2)c(c1NC(=O)COc1ccc(SC)cc1)C(=O)OCC	PC-id_7893720	391.504	QKMYZJUUINXFGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120346
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(OC)cc1)C(=O)OCC	PC-id_8907261	391.504	HTUVOLBNUMQORG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120347
s1c2c(CCC2)c(c1NC(=O)CSc1c(OC)cccc1)C(=O)OCC	PC-id_56145796	391.504	AWWHUUQEGQAMAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120348
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)CC(CC(=O)[O-])C	PC-id_74533812	391.504	BMTPIMBVNGETAC-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-120349
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)C[C@H](CC(=O)[O-])C	PC-id_27521695	391.504	BMTPIMBVNGETAC-GFCCVEGCSA-M	00000010100010000000000010000000000000000000000000000000	25-01-120350
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)C[C@@H](CC(=O)[O-])C	PC-id_27521697	391.504	BMTPIMBVNGETAC-LBPRGKRZSA-M	00000010100010000000000010000000000000000000000000000000	25-01-120351
c1(c2CCCc2[nH]n1)C(=O)N(Cc1ccc(cc1)OCC1CCC=CC1)C1CC1	MCULE-3830375581,PC-id_45170002,EMOLS-id_20398190	391.506	SAIMMUFZSXUXMM-UHFFFAOYSA-N	00100010100011110001000010000000000000000000000000000000	25-01-120352
CC(c1ccc(cc1)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109560	391.506	UJLALKZYOCOFJZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-120353
O=C(c1n[nH]c2c1CCC2)N(Cc1ccc(OC[C@@H]2CC=CCC2)cc1)C1CC1	CoCoCo_1129390,CoCoCo_1129388,ZINC22_11963314,PC-id_42317216	391.506	SAIMMUFZSXUXMM-GOSISDBHSA-N	00100010100011110001000010000000000000000000000000000000	25-01-120354
O=C(c1n[nH]c2c1CCC2)N(Cc1ccc(OC[C@H]2CC=CCC2)cc1)C1CC1	ZINC22_11963309,PC-id_42317211,CoCoCo_1129387,CoCoCo_1129389	391.506	SAIMMUFZSXUXMM-SFHVURJKSA-N	00100010100011110001000010000000000000000000000000000000	25-01-120355
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)C(C)(C)C	PC-id_92109341	391.506	WASMWRSBSCSSQX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-120356
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCCCc1ccccc1	PC-id_92109526	391.506	ZJXJTJZYOLCJFE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-120357
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)CC3CCN(CC3)C(C)C)C2)n1	MCULE-1482412507,EMOLS-id_316334896	391.508	ASCXYMILHGLHBB-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120358
c1(NC(=O)CSc2nc(C)cc(C)n2)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL5919733,PC-id_1119891,TOSLab_17046,BAS-01313797,EMOLS-id_1329218,CoCoCo_189683,MCULE-4962431158,ZINC22_856949,STOCK3S-03323	391.508	LGNHRIBQFHHMCI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120359
Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nc2CCCc2s1	EMOLS-id_30137473,MCULE-5574991734,PC-id_16827354	391.508	AGIADZBLVQXLTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120360
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_8869334,PC-id_40850872	391.508	AGIADZBLVQXLTJ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120361
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_8869336,PC-id_40850873	391.508	AGIADZBLVQXLTJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120362
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(C)(C)C)NC(=O)N1CCCCC1	PC-id_69314995,SCHEMBL5110356	391.508	XTQHJTIDZKDRSD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120363
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1sc2c(CCC2)n1	MCULE-2604216786,PC-id_9439426,CoCoCo_4164078,EMOLS-id_3623215,ZINC22_8314002	391.508	YCBCAAJBAKPDSN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120364
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1sc2c(CCC2)n1	CoCoCo_4164213,EMOLS-id_17194190,MCULE-8812909107,ZINC22_15636744,PC-id_24242372	391.508	OQPYYGBMKQRDFM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120365
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)C(=O)N=S(=O)(N(C)C)C	MCULE-6764178430,EMOLS-id_257981525	391.508	FIUUYIVWCCRJNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120366
O=C(Nc1nc2CCCc2s1)C1CCCN(C1)S(=O)(=O)c1ccccc1	MCULE-9132058404,EMOLS-id_323361021,PC-id_16828942	391.508	KLYWRQODZHFZSV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120367
O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N2CCCCC2)c1	MCULE-7025391802,EMOLS-id_3623133,ZINC22_8313204,CoCoCo_4164035,PC-id_9438598	391.508	XRSCBOOLQFIFHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120368
s1c2CCCc2cc1C(=O)NN=C(c1ccc(S(=O)(=O)N(C)C)cc1)C	PC-id_85015609	391.508	CIZWIEOAVYUSPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120369
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(S(=O)(=O)N(C)C)cc1)/C	PC-id_9462730	391.508	CIZWIEOAVYUSPI-UNOMPAQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120370
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)C1CC1)C)C(=O)N	PC-id_40820745	391.508	YIUQSDUJPQHPHD-NSHDSACASA-O	00100010100010000001000010000000000000000000000000000000	25-01-120371
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)C(=O)C1CC1)C)C(=O)N	PC-id_40820747	391.508	YIUQSDUJPQHPHD-LLVKDONJSA-O	00100010100010000001000010000000000000000000000000000000	25-01-120372
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)C(=O)C1CC1)C)C(=O)N	PC-id_74718716	391.508	YIUQSDUJPQHPHD-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-120373
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CC2)ccn1)C(=O)OCC	PC-id_51308529	391.508	DTCHTXIYKUVKDZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120374
S(=O)(=O)(NC1CCCC1)c1cc(ccc1)C(=O)Nc1sc2CCCc2n1	PC-id_37833373	391.508	RIXCOUOEWXDLQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120375
Cn1nc2c(c1CN[C@@H]1C[C@@H](Cn3ccnc3c3ccccc3)C[C@H]1O)CCC2	ZINC22_1875398653	391.509	AEDUSJLKVZZBEH-BSLALVQMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120376
Cn1nc2c(c1CN[C@@H]1C[C@H](Cn3ccnc3c3ccccc3)C[C@H]1O)CCC2	ZINC22_1875398654	391.509	AEDUSJLKVZZBEH-SAWYMBPVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120377
CSc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324916751	391.509	PPAOHQVORLYFPD-KTYKIUSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120378
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OCc2ccccc2)ccc1	PC-id_26872823	392.471	WZQZUUZXZNNCLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120714
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)C=Cc1ccc(cc1)C	MCULE-5727079729	391.509	PPAOHQVORLYFPD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120379
O[C@@H]1CC(C[C@H]1NCc1n(C)nc2c1CCC2)Cn1ccnc1c1ccccc1	MCULE-6092150697,EMOLS-id_323951588,PC-id_146112700	391.509	AEDUSJLKVZZBEH-NMPNHXORSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120380
c12SCCn1cc(CNC(=O)CC1C(=O)NCCN1Cc1cccs1)n2	EMOLS-id_324183098,MCULE-7596492464,PC-id_45598051	391.511	XHPAAAYUHLSNTJ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-120381
c1(NC(=O)CSc2ccncc2)c2CSCc2nn1CC(=O)NCCC	ZINC22_23138823,EMOLS-id_24913183,CoCoCo_5277522,MCULE-5140416665,PC-id_30862160	391.511	JJAGWWSBMRNCTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120382
CCc1nn2C(=O)C(Sc2n1)[C@H](c1cccs1)N1CCN(CC1)C(=O)C	PC-id_134715957	391.511	NFAKXEZORKHSME-MLCCFXAWSA-N	00000010100110000001000010000000000000000000000000000000	25-01-120383
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1C1CC1	SCHEMBL21045253,EMOLS-id_53747799,MCULE-2501532699,PC-id_8723836,ZINC22_7618215	391.511	JQLPATRUZVIFJH-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120384
O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCc1cn2c(n1)SCC2	ZINC22_15075645	391.511	XHPAAAYUHLSNTJ-AWEZNQCLSA-N	00000010100110000001000010000000000000000000000000000000	25-01-120385
O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1cn2c(n1)SCC2	ZINC22_15075647	391.511	XHPAAAYUHLSNTJ-CQSZACIVSA-N	00000010100110000001000010000000000000000000000000000000	25-01-120386
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(CC=C)c(nn1)C)C)C(=O)N	PC-id_8287826	391.511	CHWLRJGBIOGQQK-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-120387
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(CC=C)c(nn1)C)C)C(=O)N	PC-id_8287827	391.511	CHWLRJGBIOGQQK-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120388
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(c(nn1)C1CC1)C)C)C(=O)N	PC-id_8288248	391.511	CTEOGRIWEZVMQS-QMMMGPOBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120389
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(c(nn1)C1CC1)C)C)C(=O)N	PC-id_8288249	391.511	CTEOGRIWEZVMQS-MRVPVSSYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120390
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(CC=C)c(nn1)C)C)C(=O)N	PC-id_78655206	391.511	CHWLRJGBIOGQQK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120391
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)C1CC1)C)C)C(=O)N	PC-id_78655368	391.511	CTEOGRIWEZVMQS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120392
S(c1n(C2CC2)c(nn1)C)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_84884297	391.511	QKPKRGANJCHAPA-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120393
S(c1n(C2CC2)c(nn1)C)[C@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_8959746	391.511	QKPKRGANJCHAPA-QMMMGPOBSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120394
S(c1n(C2CC2)c(nn1)C)[C@@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_8959747	391.511	QKPKRGANJCHAPA-MRVPVSSYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120395
CCC=C(c1ccc(cc1C=C)F)N1Cc2c(C1)c(n(n2)/C(=C(C(=C)C)/C)/C)C	PC-id_145597086	391.524	WWXLAJDPIKSVGU-GMRIRDCMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120396
s1c2CCCc2cc1C(=O)NNC(=O)C(NC(=O)C1CCCCC1)C(C)C	PC-id_24596633	391.528	FIIIYDAMJXTVRQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120397
c1(NC(=O)c2ccc(cc2)Cc2ccccc2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426369,MCULE-1306197047,SCHEMBL4880521,PC-id_5071546,Chemmine_40091,CoCoCo_4972725,ZINC22_4077281	391.529	CQTSGXRVNFRQBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120398
c1(NC(=O)C(c2ccccc2)c2ccccc2)c2CSCc2nn1C(C)(C)C	CoCoCo_4982352,ZINC22_4088670,EMOLS-id_5438625,PC-id_5009567,MCULE-9350252426	391.529	JGZXWYGWJGGYEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120399
CN1CCCC1C(=O)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102005502	391.531	YXUHCWBWKZYFLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120400
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ncn(c1)C(C)C)C1CCCC1	PC-id_92110081	391.531	KTCUNBHACZVVPU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120401
Cn1nc(c(c1C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92110065	391.531	OWMSFVHRNVIEOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120402
O=C(Nc1sc2c(n1)CCC2)CN1CCCC(C1)CNC(=O)C1CCCN1	PC-id_120025434	391.531	WJTBWMMWDNAWDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120403
O=C1OCc2c1c(oc2[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1	PC-id_122222558	391.535	MRYAWNPOJRHNQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120404
Cc1ncc(CN2CCN(C(=O)Nc3nc4c(s3)CCC4(C)C)CC2)s1	ZINC22_333486522,EMOLS-id_102002085,MCULE-9107356153	391.554	GFSDEVAIHOZPEU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120405
CCNC(=NCc1nnc2n1CCC2)NCC(N1CCOCC1)C(CC)CC	PC-id_111020601	391.554	BLKKZQGPIMSUDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120406
O=C(N1CCCN(CC1)Cc1ncsc1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001950	391.554	TYPPZJGJLOWGKJ-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-120407
O=C(N1CCN(CC1)Cc1csc(n1)C)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000012	391.554	HVCRSWTZSYZHRN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120408
CCCC1CCc2c1c(c(s2)N)C(=N)OC1CCC(CC1)N1CCOCC1	PC-id_137068925	391.571	ZXHZYLUTEAKYGH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120409
CN1CCN(CC1)C1(CCCCC1)CNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956487	391.571	BYOAJEAMGNDIOY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120410
CN1CCC(CC1)N1CCC(CC1)NC(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102007146	391.574	MQYUGMGLLIDHHK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120411
CN1CCN(CC1)CC1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000165	391.574	HWLMTSBLPVUQQI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120412
O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(C)C)NCc1cn2c(n1)SCC2	CoCoCo_1474110,PC-id_28357807,CoCoCo_1474109,CoCoCo_1474105,CoCoCo_1474106	391.574	DCGMYSSOTNPZNB-MRXNPFEDSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120413
O=C([C@H]1CCCN(C1)C1CCN(CC1)C(C)C)NCc1cn2c(n1)SCC2	PC-id_28357809,CoCoCo_1474107,CoCoCo_1474104,CoCoCo_1474103,CoCoCo_1474108	391.574	DCGMYSSOTNPZNB-INIZCTEOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120414
S1c2n(cc(n2)CNC(=O)C2CN(C3CCN(CC3)C(C)C)CCC2)CC1	PC-id_45597694	391.574	DCGMYSSOTNPZNB-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120415
CCCCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)csc2	PC-id_89515135,SCHEMBL14881088	391.61	MZOGXHAAGVLFEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120416
CCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	SCHEMBL16604989,PC-id_117982945	391.61	DKNKLVJDOVVPNQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120417
CCCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C(C)C)C	SCHEMBL16623391,PC-id_117998394	391.61	NTTMVNLLYUQMQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120418
CCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2C)C)CCCCCC	PC-id_117982919,SCHEMBL16604934	391.61	XQKUPIATXDNTRJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120419
CCCCCCCCC(N1C(=O)c2c(C1=O)csc2)CCCCCCCC	SCHEMBL14881086,PC-id_71485557	391.61	FEMOEJUPGHJVAG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120420
CCCCCCCCN(C1C(=O)c2c(C1=O)csc2)CCCCCCCC	SCHEMBL16307256,PC-id_117750064	391.61	YKAUFQVHAQTHMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120421
n12c(=O)c(=Cc3ccccc3N(=O)=O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-2983464643	391.617	AATUSMZCXAJCGL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120422
n12c(=O)c(=Cc3ccc(cc3)N(=O)=O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7705449568	391.617	PVCIWAWCDARZJS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120423
n12c(=O)c(=Cc3cccc(c3)N(=O)=O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8984751066	391.617	KPDAJDZEWKRBEL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120424
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324914182	391.617	AATUSMZCXAJCGL-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-120425
[O-][N+](=O)c1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324909070	391.617	PVCIWAWCDARZJS-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-120426
[O-][N+](=O)c1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324914179	391.617	KPDAJDZEWKRBEL-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-120427
Fc1cc(Cl)c(c(c1)Br)Nc1sc2c(n1)C(CC2)C(=O)O	PC-id_107617609	391.643	QCWADUKFEAGUQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120428
Clc1ccc(cc1)Cc1nn(c(=O)o1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_23081359,SCHEMBL5534622	391.766	JIJBLRNCQSMIAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120429
CCCNC(c1sc(c(c1)Br)Cl)c1sc2c(n1)CCC2	PC-id_102842977	391.777	YOTQJVVXFMQLQE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120430
CC(NC(c1sc(c(c1)Br)Cl)c1sc2c(n1)CCC2)C	PC-id_102843024	391.777	YAGOVIMZTJMGHC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120431
Cc1csc2nc(Cl)c(/C=c/3sc4nc(nn4c3=O)C(F)(F)F)n12	EMOLS-id_324910087	391.779	YKNDANJTEVZIMD-KXFIGUGUSA-N	00000000100000000001000110000000000000000000000000000000	25-01-120432
n12c(=O)c(=Cc3c(Cl)nc4scc(C)n34)sc1nc(C(F)(F)F)n2	MCULE-3740651426	391.779	YKNDANJTEVZIMD-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-120433
CCOC(=O)n1nc2c(c1NC(=O)c1ccccn1)CN(C2(C)C)C(=O)Cl	SCHEMBL1205740,PC-id_57523206	391.809	NFAXMRXDDZWZNW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120434
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)Cl)NC(=O)c1ccccn1	SCHEMBL597950,PC-id_59508126	391.809	ALKFVSQZZMDJIU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120435
Clc1ccc(cc1)CN1CCN(C1=O)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5541465,PC-id_69481167	391.809	DXXNOTAJDUNUPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120436
Cc1c(n2c(c1C(=O)C(=O)N)CCC2(C)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920621,PC-id_134302904	391.824	SGDFEKCHINOIFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120437
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OCc2ccccc2)cccc1	PC-id_8123253	392.471	IRAZJRCBQQMMSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120715
Clc1c([N+](=O)[O-])cc(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_4503673	391.829	REPIXJYNIABGIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120438
NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2	PC-id_6131669,ZINC22_6861747	391.829	REPIXJYNIABGIH-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120439
CC1C2=C(C(N1I)I)N=CS2	PC-id_152998613	391.834	UXSFXLQDCHFEOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120440
CC1C2=CSN=C2C(N1I)I	PC-id_164102248	391.834	XPRAKFGFVOZORF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120441
CC(=O)NCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C)Cl)C	PC-id_13424025,SCHEMBL11001009	391.849	LXERJRDUAIBVTP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-120442
COC(=O)CCC(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2	ZINC22_503060134,PC-id_145890417,EMOLS-id_320368148,MCULE-4056138432	391.869	QOYHGPXYEPUJSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120443
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328019,MCULE-2884382732	391.872	CSPXCVKKRKXVBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120444
c1(NC(=O)NN=Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-1194172822,PC-id_19168817	391.872	YWHJRFNXBJSEMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120445
c1(NC(=O)NN=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_19168818,MCULE-2059107645	391.872	PNFNUOMZZYPGMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120446
c1(NC(=O)NN=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-5676600580,PC-id_73551160	391.872	JJVHOVODABFCAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120447
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(c(Cl)c2)OC)C1	EMOLS-id_323395242,MCULE-4740743316	391.872	KUNQBOIRPAYOPU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120448
Clc1cc(/C=N/NC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_19172717	391.872	JJVHOVODABFCAL-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-120449
Clc1c(C(=O)NC(C(=O)NNC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_74293260	391.872	QWJDVDLZFCSEPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120450
Clc1c(C(=O)N[C@H](C(=O)NNC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_24540828	391.872	QWJDVDLZFCSEPW-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-120451
Clc1sc2N=C(Cc2c1)C(=O)NCCCNC(=O)OCc1ccccc1	PC-id_69847587,SCHEMBL6635446	391.872	SHXYNUMFJKYAGK-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-120452
COc1ccc(Cl)cc1N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	EMOLS-id_323362745,MCULE-8863889014	391.872	YXEFJTZXADEMMT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120453
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4061734597	391.873	JOPQMUDFUGOTIB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120454
CCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960005	391.874	VBRHJFMYXYFXAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120455
N#Cc1ccc(c(c1)Cl)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101041036	391.875	XRWDSXLOZJZADO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120456
Clc1c(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)c(F)ccc1	PC-id_24589058	391.89	WBTCDABYGCCSNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120457
Fc1cccc(Cl)c1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324905989	391.89	KWOSFRPSBMLHJR-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-120458
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CCC1CCCCC1	MCULE-7806532492	391.89	KWOSFRPSBMLHJR-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-120459
c1(NC(=S)NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C#N	CoCoCo_6153986,MCULE-9999905576,ZINC22_678898,SPECS-id_AN-465/41165794,PC-id_1016878,EMOLS-id_1719703	391.895	FPBGJXUIAXXTQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120460
c1(NC(=S)NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_1702538,CoCoCo_6359057,ZINC22_6258721,PC-id_3377807,MCULE-5302175567	391.895	OIUVVBYHWGWSCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120461
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)c1ccccc1	PC-id_118628336,SCHEMBL17398063	391.895	GEEKJDRNVITLNE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120462
Clc1c(cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C)C#CP(=C)(C)C	PC-id_59933019	391.898	KLKFJMMZRQJPON-UZYVYHOESA-N	00000010100000110001000010000000000000000000000000000000	25-01-120463
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCC(C)C)cc1	PC-id_16947364	391.915	UWDMTVLDPAMKLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120464
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCCCC)cc1	PC-id_16947391	391.915	ZICPPPOWLMYDOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120465
Clc1ccc(C(=O)NC(CC(C)C)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_75859732	391.915	ZQNJJNGLZBITPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120466
Clc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_52498295	391.915	ZQNJJNGLZBITPS-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120467
Clc1ccc(C(=O)N[C@H](CC(C)C)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_52498296	391.915	ZQNJJNGLZBITPS-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120468
Clc1cc(CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)ccc1	PC-id_46630444	391.915	WKIAIPYKCYAHIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120469
Clc1ccc(OCC(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cc1	PC-id_44060308	391.915	FJDILPWEYSDQPN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120470
Clc1cc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)c(OC)cc1	PC-id_44060382	391.915	HWHAIEMSYQCZNL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120471
Clc1c([C@@H](N[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1	PC-id_26306414	391.915	QUZCKTJTBHOMQL-WDEREUQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120472
Clc1c([C@@H](N[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1	PC-id_26306417	391.915	QUZCKTJTBHOMQL-QWRGUYRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120473
Clc1c([C@H](N[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1	PC-id_26306419	391.915	QUZCKTJTBHOMQL-GHMZBOCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120474
Clc1c([C@H](N[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1	PC-id_26306422	391.915	QUZCKTJTBHOMQL-MNOVXSKESA-N	00000010100000110000000010000000000000000000000000000000	25-01-120475
Clc1c(C(NC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1	PC-id_51243785	391.915	QUZCKTJTBHOMQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120476
O[C@@H]1CCN([C@@H]1c1ccc(cc1)Cl)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102211675	391.915	NSMYAWVKJQONCX-UKRRQHHQSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120477
CC1=C([S]=C(N1)c1ccc(Cl)cc1)C(=O)Nc1c2CSCc2nn1C	EMOLS-id_320526142	391.918	XBYCDLUICPQAAG-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-120478
Clc1ccc(cc1)C1CSCCN1C(=O)NC(c1nnc2n1CCC2)C	EMOLS-id_318127319	391.918	ORIIHFWKCCZJFQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120479
C=CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1	MCULE-9039200511,CoCoCo_3687705,EMOLS-id_11650891,ZINC22_8164300,CoCoCo_3687704,PC-id_9298547	391.938	QUPILQLFTSMOAQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120480
C=C1Oc2c(O1)c(sc2I)I	PC-id_141409937	391.953	IQQQQASQZSCXMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120481
Clc1ccc(cc1)SCC1=CC(=C)C(=CC1)CC(=C)c1cc2c([nH]1)C=CC2	SCHEMBL20940184,PC-id_138581182	391.956	SMEDDOBVBWEIPZ-UHFFFAOYSA-N	00000011100011110000000010000000000000000000000000000000	25-01-120482
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(S2)C(NC3)C(C)C	PC-id_146890419	392.123	SZCCRPYTESZEBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120483
Brc1cc(c(s1)Br)C(=O)c1sc2c(c1)CCC2	EMOLS-id_37654937,PC-id_43463818	392.129	IXRZGIBDWSWFTE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120484
Brc1cc(sc1Br)C(=O)c1sc2CCCc2c1	EMOLS-id_315434747,PC-id_80532393	392.129	HNXFORMNPHWFJR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120485
Brc1c(scc1Br)C(=O)c1sc2CCCc2c1	PC-id_79602832,EMOLS-id_42383661	392.129	LGHKZCWMSQSYQZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120486
CC1(CN(CCO1)C2=NNC(=O)C(=C2)Cl)CNC(=O)C3=CN=C4N3CCC4	EMOLS-id_317749450,MCULE-5165706574,PC-id_154786193	392.136	DTOSRNMQYQFEBQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-120487
Brc1c(OC)c(C(Cl)c2sc3c(CCC3)c2)cc(Cl)c1	PC-id_63431283	392.138	DDUQMUJJFDCISY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120488
BrC(c1sc2c(CCC2)c1)c1c(Cl)cc(OC)c(Cl)c1	PC-id_81835454	392.138	VUNLLUUYRLTQJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120489
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC(C3)(F)F)C4=NNN=C4)C(=O)N	PC-id_151198584	392.141	NHVNNVGAIZSBEP-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-120490
CC1=C(N2CCCC2=C1C(=O)C(=O)CC3(CC3)C#C)C(=O)NC4=CC(=CC=C4)F	PC-id_161151199	392.154	KBKOFPOJASZPOO-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-120491
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3Cl)C(=N)COC4CCNC4)F	PC-id_161066596	392.165	QWASZBPRABCPOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120492
BrC(c1sc2c(CCC2)c1)c1c(sc(Br)c1)C	PC-id_65633063	392.172	NQKMVLCZSCILNH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120493
BrC(c1sc2c(CCC2)c1)c1sc(Br)c(c1)C	PC-id_79992453	392.172	YQFXWULTNDMNMT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120494
BrC(c1sc2c(CCC2)c1)c1sc(cc1Br)C	PC-id_65278933	392.172	HAUZGBMSZWDZSP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120495
BrC(c1sc(c(c1)Br)C)c1sc2c(c1)CCC2	PC-id_102836103	392.172	ZFRHRRWSEWSNEB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120496
CCOC(=O)C1N(Cc2c1[nH]nc2I)C(=O)NC(C)C	SCHEMBL6441638,PC-id_69782039	392.193	BKHYBQCGJDPLPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120497
CCOC(=O)n1c2c(CN(C2)C(=O)NC(C)C)c(n1)I	PC-id_91199382	392.193	XSSBCVXWNKEMCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120498
Brc1c2n(CCC2(C(=O)O)C(=O)O)c(c1C)C(=O)c1ccccc1	PC-id_20526386,SCHEMBL11268579	392.201	JWEFHQITWCFNQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120499
BrC1=CC(=CC(=CNc2sc3CCCc3c2C#N)C1=O)[N+](=O)[O-]	PC-id_50885435	392.227	FOXPRYDZAHWVFP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-120500
BrC1=CC(=CNc2sc3CCCc3c2C#N)C(=O)C(=C1)[N+](=O)[O-]	PC-id_24125536	392.227	DWTZKHSMVDSDGS-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-120501
BrC1=C/C(=C/Nc2sc3CCCc3c2C#N)/C(=O)C(=C1)[N+](=O)[O-]	PC-id_5902886	392.227	DWTZKHSMVDSDGS-FPLPWBNLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-120502
Brc1c(C(=O)Nc2sc3CCCc3c2C#N)cc([N+](=O)[O-])cc1	PC-id_4511421	392.227	ZXEJKKDWUVJSBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120503
C1Cc2c(C1)sc(c2C#N)N=Cc1cc(cc(c1O)Br)[N+](=O)[O-]	PC-id_136178023	392.227	NVWMIDLIFMSEKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120504
c1(C#N)c2CCCc2sc1N=Cc1cc(Br)cc(N(=O)=O)c1O	MCULE-3839818788	392.227	ZCJVYVNXYLCXBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120505
N#Cc1c(/N=Cc2cc(Br)cc(c2O)[N+](=O)[O-])sc2c1CCC2	CoCoCo_6709098	392.227	ZCJVYVNXYLCXBB-WSVATBPTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120506
N#Cc1c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2c1CCC2	ZINC22_4150738,CoCoCo_6709097,EMOLS-id_2757047,TIMTEC588705,PC-id_135647058	392.227	ZCJVYVNXYLCXBB-CNHKJKLMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120507
Cc1onc(c2c(Cl)cccc2Cl)c1C(=O)NCc1nnc2n1CCC2	ZINC22_24444471,PC-id_31821453,CoCoCo_4758571,MCULE-2984964925,EMOLS-id_29584578	392.239	LIHYMCQRQFGQOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120508
C#CCNC(=O)C1CCc2nnc(n12)CNC(=O)c1c(cc(cc1)Cl)Cl	PC-id_134790284	392.239	TZQBEOARPOKGJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120509
Clc1ccc(c(c1)C(n1nccc1NC(=O)c1nn2c(c1)OCC2)C)Cl	EMOLS-id_316151061,MCULE-8432892190	392.239	RZJKHLSZGAMYQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120510
CCOCCOc1ccc(cc1C=C1C(C)n2c(C1=O)ncn2)Br	EMOLS-id_278712904	392.247	XNZHQNYHCUWRPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120511
O=C(Nc1ncccc1C)CCNC(=O)c1c(Br)nc2n1CCC2	EMOLS-id_316558440	392.25	LQLMCTIIPQSPSW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120512
CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)NC(CN(C)C)C3CCOCC3	PC-id_164707944	392.254	JLEKEUDHPZRTBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120513
C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2nc3n(c2Br)CCC3)C1	ZINC22_1875392077	392.265	ISSKPSALMVKWFE-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120514
C[C@]1(c2cccc(F)c2)CCN(C(=O)c2nc3n(c2Br)CCC3)C1	ZINC22_1875392078	392.265	ISSKPSALMVKWFE-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120515
Brc1cc(c(cc1F)N)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106491647	392.267	JYOLYNAMLXXWSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120516
Brc1c(F)c(S(=O)(=O)Nc2sc3CCCc3n2)cc(N)c1	PC-id_65517539	392.267	WAIMWAKWPVXKBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120517
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(N)c(F)c1	PC-id_65649703	392.267	DRZWKXFBYFIQFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120518
Nc1cc(c(cc1Br)F)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_116530205	392.267	IWDDFPCYKPGRQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120519
c1(NC(=O)Cn2cc(Br)cc(C)c2=O)sc2c(CCC2)c1C#N	PC-id_84315129,MCULE-1956117047,EMOLS-id_180186269	392.27	IHIJDTJVUIJGMI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-120520
c1(NC(=O)Cn2cc(C)cc(Br)c2=O)sc2c(CCC2)c1C#N	MCULE-1425980666,EMOLS-id_180187170,PC-id_84315494	392.27	DHBKBUQNCPBWHL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-120521
CC(c1ccc(cc1)C1CC1)n1nc2CCC(C)c2c1I	EMOLS-id_330963387,MCULE-3231903361	392.277	AMNYTVSUYMIXLK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-120522
CC(c1ccccc1C1CC1)n1nc2CCC(C)c2c1I	EMOLS-id_330963647,MCULE-3398232557	392.277	ZJZQKMSRGDEVMT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-120523
CC(c1cccc(c1)C1CC1)n1nc2CCC(C)c2c1I	MCULE-8419628381,EMOLS-id_330961598	392.277	FPUZWJWCUPBIFZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-120524
Brc1ccc(o1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109825	392.29	MQNFRUZUBSMDLA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-120525
CNCc1oc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Br	PC-id_106053366	392.292	MTLSTWLZCXDYBX-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-120526
Brc1ccc(c(c1)N1CCOCC1)CNC1CC(n2c1ncn2)C	EMOLS-id_258182874,MCULE-4301295467	392.293	RLKBRLHMHOOODT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120527
CC(c1nnc2n1CCC2)NS(=O)(=O)Cc1ncsc1Br	EMOLS-id_318151953	392.295	AIKSHKMPQMGOBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120528
CC1(Cn2c(nc(n2)[N+](=O)[O-])S1=O)COc1ccc(cc1)OC(F)(F)F	PC-id_137647235	392.31	MHNUPDJJUCNWFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120529
O=C(Nc1nc2c(s1)CCC2)N1CC(Cc2ccccc2Br)C1	EMOLS-id_316337792,MCULE-4115853674,ZINC22_626227741	392.313	FEKNMRRTYLOOTB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-120530
Clc1ccc(c(c1)Cl)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109781	392.322	LWEXTOUGKSBWPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120531
Clc1ccc(c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cl	PC-id_92109782	392.322	IKFIJIDPNICDJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120532
Ic1cnn2c1C(O[Si](C(C)(C)C)(C)C)C(C2)(C)C	PC-id_140760717	392.351	FVWDJYXCOBZBGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120533
Ic1cnn2c1C(O[Si-](C(C)(C)C)(C)C)C(C2)(C)C	PC-id_145221560	392.351	CURJPLHMQAOYJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120534
Brc1sc(c(S(=O)(=O)NCc2sc3c(CCC3)c2)c1)C	PC-id_80225887	392.355	NSFCSAJARIZPSC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120535
Brc1sc(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1C	PC-id_79994638	392.355	CJLNUPLUTDCSCH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120536
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2C(C)C)O[C@H](C(F)(F)F)C	PC-id_118479170,SCHEMBL17214015	392.375	URXQMMDXFZVCML-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120537
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)C(C)C)O[C@H](C(F)(F)F)C	PC-id_118479178,SCHEMBL17214025	392.375	XAABILIBPFTLEQ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120538
O=C(c1cc(cc(c1)C(F)(F)F)N1CCCC1=O)Nc1n(C)nc2c1CCC2	EMOLS-id_98263432	392.375	SHCNPUDSXHGSAM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120539
O=C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98019436	392.375	SBRUGPTXOJGXAR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120540
N#Cc1c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)sc2c1CCC2	PC-id_2410265,EMOLS-id_43720888,ZINC22_3294686,MCULE-5175763798,CoCoCo_2912516	392.377	JTOFPBPLRVGCSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120541
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OC(F)F)cc1)C#N	PC-id_7569613	392.377	FYIRDPGBWSZLID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120542
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OC(F)F)cccc1)C#N	PC-id_7609243	392.377	QFENYLAAYQRJFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120543
CC[N+]1(c2c(C(=N1)NC(=O)c1ccc(cc1)F)sc(c2)C(=O)OC)C(=O)O	PC-id_90698655	392.382	YYTLBIXDCRILAE-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-120544
Fc1cc(C(=O)N2Cc3c(n(nc3NC(=O)c3ccccc3)C(=O)C)C2)ccc1	PC-id_71460367	392.383	QEFBVYLOMXSXBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120545
O=C(Cc1csc(c2ccc(C(F)(F)F)cc2)n1)N=c1cc2n([nH]1)CCC2	MCULE-7090124506,ZINC22_1875302604,PC-id_146100557,EMOLS-id_324074828	392.398	YFMCBAIBXKSIAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120546
s1c2CCCc2nc1NC(=O)c1c(n(nc1)c1cc(ccc1)C(F)(F)F)C	PC-id_33041165	392.398	MKWFVYGQMOBPGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120547
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)c(OC)cc1)C(=O)N	PC-id_7522989	392.401	MIFHDXGHACVRHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120548
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(F)cc(OC)cc1)C(=O)N	PC-id_7490814	392.401	RPNLNFHUXHSQSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120549
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(F)cc1)C(=O)N	PC-id_7791405	392.401	VVGSGSLLNUOZHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120550
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(F)ccc1)C(=O)N	PC-id_8914446	392.401	UEROEGQYEHLELY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120551
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(F)cccc1)C(=O)N	PC-id_7842138	392.401	VGEHLVBRLPGKNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120552
o1nc2CCCc2c1N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PC-id_58664488	392.405	IHFQGLNWTVOZIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120553
s1c2CN(Cc3ccc(F)cc3)C(=O)c2nc1NC(=O)NC(C)C(=O)OC	PC-id_53188488	392.405	JAACTEOMSZTFLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120554
O=C(c1noc(c1)c1ccco1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109277	392.408	XUDQDWOFACIWFK-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-120555
c1(C(=O)NCc2cccnc2)cnn2CC(Cc12)NC(=O)c1ccc(nc1)OC	MCULE-6340463332	392.411	KLSXZXZLRAONLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120556
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(nc1)OC	EMOLS-id_316323633,MCULE-1841988481	392.411	KLSXZXZLRAONLG-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120557
C[C@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)c1nnc2n1CCC2	PC-id_97257584,ZINC22_95461161	392.411	RCRKNOUGAXUFIW-ZDUSSCGKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120558
C[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)c1nnc2n1CCC2	PC-id_97257585,ZINC22_95461162	392.411	RCRKNOUGAXUFIW-CYBMUJFWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120559
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC22_40058955,PC-id_45871186,CoCoCo_4709510,EMOLS-id_29691985,MCULE-1730582835	392.411	PUUSXVBYRBERAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120560
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)Nc1n[nH]c2c1CNC2(C)C	PC-id_140963672	392.411	HAAWVKPXVKXYGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120561
O=C(C(=O)Nc1ccnc(c1)Oc1ccccc1)NC(c1nnc2n1CCC2)C	MCULE-5857102055,EMOLS-id_48318554,PC-id_75400206	392.411	RCRKNOUGAXUFIW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120562
O=C(NCCc1nnc2n1CCC2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	MCULE-8356830093,ZINC22_69532060,PC-id_53528322,EMOLS-id_36273855	392.411	RGDFUGSWKXNWOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120563
C1Cc2nnc(n2C1C(=O)NCc1cnccc1)CNC(=O)Nc1cnccc1	PC-id_134788211	392.415	OMRXOHRAZMXROJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120564
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCN(CC2)Cc2ccccc2)n1	CoCoCo_224996,BAS-01939671,TIMTEC552244,PC-id_1129759,EMOLS-id_1359733,MCULE-7248845519,ZINC22_19893148	392.418	XNSTXXKEBGIYPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120565
CCN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268142,SCHEMBL20695643	392.418	OGHPHOWPJZUEDC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120566
O=C(c1n[nH]c2c1CCC2)NC1CCN(CC1)Cc1cccc(c1)C(F)(F)F	EMOLS-id_98227541	392.418	PGNSYLBSXGRUAC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120567
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(nc1)C(F)(F)F	PC-id_92109923	392.418	RYQVFRATKGCMNY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-120568
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cc3ccccc3F)C2)n1	MCULE-8859306746,EMOLS-id_316331316	392.426	NHLFAPOKWBLJML-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120569
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)Cc3ccccc3F)C2)n1	MCULE-5644235947	392.426	NHLFAPOKWBLJML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120570
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccc(c(F)c1)C	MCULE-6938158175	392.426	ILDFQWFYNCECMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120571
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(c(F)c1)C	EMOLS-id_316320052,MCULE-9559217375	392.426	ILDFQWFYNCECMQ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120572
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3ccccc3F)Cc12	MCULE-5007529935,EMOLS-id_316252663	392.426	KTPDRRAQGJVADF-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120573
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3cccc(F)c3)Cc12	MCULE-8871446671,EMOLS-id_316319029	392.426	IQNRZOZYNHEJGM-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120574
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3ccccc3F)Cc12	MCULE-9734922532	392.426	KTPDRRAQGJVADF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120575
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3cccc(F)c3)Cc12	MCULE-9338165934	392.426	IQNRZOZYNHEJGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120576
CCOC(=O)c1c(NC(=O)COC(=O)c2c(C)noc2C)sc2c1CCC2	ChEMBL-DNDi_CHEMBL1311756,CoCoCo_3151111,CHEMBL1311756,MCULE-1125958329,ZINC22_4166989,PC-id_2998331,EMOLS-id_3385675	392.426	VQHAZMIRVLSVOB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120577
Fc1ccc(cc1)C(=O)N1Cc2c(C1(C)C)n(nc2)NC(=O)Cc1ccccc1	PC-id_139982979	392.426	JMMXBQJRJIOGSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120578
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccccc1	SCHEMBL2919859,PC-id_68441092	392.426	MCIUKYVCJAOXLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120579
Fc1ccc(C(=O)N2C(c3[nH]nc(NC(=O)Cc4ccccc4)c3C2)(C)C)cc1	PC-id_68441049,SCHEMBL2919747	392.426	MHQJTUYMAWNBFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120580
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(noc1C)CC)C(=O)OC	PC-id_7660655	392.426	KCIGKWJVBRKXKO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120581
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C)F	PC-id_59333960,SCHEMBL3324635	392.428	WSLBXFYARLDPHH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120582
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C)F	PC-id_57519207,SCHEMBL3326030	392.428	HLUBKGJWULYHSI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120583
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1ccc(cc1)C#N	PC-id_42981965	392.428	MRYCRSDDJISGMR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-120584
s1c2CCCc2c(c1NC(=O)COC(=O)c1occc1c1ccccc1)C#N	PC-id_24523517	392.428	SLEXXUIDNDPRKF-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-120585
c1(NC(=O)c2cccc(c2C)N(=O)=O)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_4110359,CHEMBL1600622,ZINC22_3008415,MCULE-9057256676,ChEMBL-DNDi_CHEMBL1600622,EMOLS-id_22702280,CoCoCo_2666497	392.429	PMJSYJNRBGYMSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120586
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-1915013564,CoCoCo_2666498,ChEMBL-DNDi_CHEMBLF0541-0056,PC-id_4349495,ZINC22_3008416,EMOLS-id_22702282,CHEMBL1330894,ChEMBL-DNDi_CHEMBL1330894	392.429	FIIDZHFMXMVPAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120587
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-9779950263,CHEMBL1465471,EMOLS-id_30116989,ZINC22_5077917,CoCoCo_5065653,PC-id_7484601,ChEMBL-DNDi_CHEMBL1465471	392.429	ZTYDBVMHZVHUTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120588
c1(N(=O)=O)c(C)nn(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1C	MCULE-9904586782,CoCoCo_153864,SPECS-id_AK-968/11843133,EMOLS-id_1293965,PC-id_1111115,ZINC22_845132,BAS-00924144	392.429	SGBKJPSDTLEBBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120589
S(C1=C(N2C(C(C2=O)C(OC(=O)C)C)C1C)C(=O)[O-])C1C[n+]2n(C1)cnc2	PC-id_85050518	392.429	XOBGWSQXHJHNKP-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-120590
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](OC(=O)C)C)[C@H]1C)C(=O)[O-])C1C[n+]2n(C1)cnc2	PC-id_9843481	392.429	XOBGWSQXHJHNKP-NRMKKVEVSA-N	00001011100000000001001010000000000000000000000000000000	25-01-120591
C[C@]1(COc2ccc(N3CC[S+]([O-])CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	CHEMBL219511,PC-id_6483576,SCHEMBL5537613	392.43	VKZSAWATCYUSJG-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120592
O=S1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5537619,PC-id_23081573	392.43	VKZSAWATCYUSJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120593
c1(NC(=O)c2ccc(cc2)OC(=O)c2ccn(C)n2)sc2c(CCC2)c1C#N	MCULE-3812271406,TIMTEC154843,PC-id_1510169,CoCoCo_1983985,ZINC22_1430369,EMOLS-id_6815292	392.431	FSJFRVRGFYEHKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120594
c1(NC(=O)c2cc(=O)[nH]c(c3ccc(cc3)OC)n2)sc2c(CCC2)c1C#N	EMOLS-id_322838961,MCULE-9540231998	392.431	NXYLPLZZZPJGLR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120595
c1(NC(=O)c2cnc([nH]c2=O)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322835643,MCULE-4793199241	392.431	LBBAMUOPGMEPFB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120596
c1(NC(=O)c2c(O)cc(=O)n(c3ccccc3C)n2)sc2c(CCC2)c1C#N	MCULE-2550272108,EMOLS-id_322821930	392.431	BBSXCFCRFMHROO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120597
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(cc3)C)n2)sc2c(CCC2)c1C#N	MCULE-6739407503,EMOLS-id_322818347	392.431	ZIILSEZPPMNCQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120598
c1(NC(=O)c2c(O)cc(=O)n(c3cccc(C)c3)n2)sc2c(CCC2)c1C#N	PC-id_108798320,EMOLS-id_182606379,MCULE-4307784222	392.431	WAXWGNOXCGKEFS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120599
Cc1cc(ccc1)n1c(c(c(=O)[nH]c1=O)/C=N/c1c(c2c(s1)CCC2)C#N)O	PC-id_135478014	392.431	VMOHZTMITBAFFH-LSHDLFTRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120600
Cc1ccc(cc1)n1c(c(c(=O)[nH]c1=O)/C=N/c1c(c2c(s1)CCC2)C#N)O	PC-id_135628400	392.431	IZPQQDAXFUHXIR-LSHDLFTRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120601
Cc1ccc(cc1)n1c(c(c(=O)[nH]c1=O)C=Nc1c(c2c(s1)CCC2)C#N)O	PC-id_136854055	392.431	IZPQQDAXFUHXIR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120602
Cc1ccccc1n1c(c(c(=O)[nH]c1=O)C=Nc1c(c2c(s1)CCC2)C#N)O	PC-id_137073810	392.431	VTOBYOFMMGCCII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120603
Cc1ccccc1N1C(=O)NC(=O)/C(=CNc2sc3c(c2C#N)CCC3)/C1=O	ZINC22_408528258	392.431	FQWNMBXSGQZTLW-GXDHUFHOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120604
Cc1ccccc1NC(=O)COc1ccccc1/C=c/1sc2ncnn2c1=O	PC-id_117588377,ZINC22_256055580	392.431	LZQJJRXSKNESMG-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120605
Cc1ccccc1NC(=O)COc1ccc(/C=c/2sc3ncnn3c2=O)cc1	PC-id_117588476,ZINC22_256055310	392.431	BIPLFXBODHFQTN-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120606
Cc1ccccc1NC(=O)COc1cccc(/C=c/2sc3ncnn3c2=O)c1	PC-id_117588431,ZINC22_256055767	392.431	SJFFFJYLHBIQEH-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120607
Cc1ccc(CCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324905995	392.431	WVLALWOWGCBPPF-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-120608
Cc1ccc(CCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324907009	392.431	BZGMOCXBEHIOQK-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-120609
Cc1ccc(CCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324907012	392.431	SDEJQUNQGLCFGB-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-120610
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3sc4c(c3C#N)CCC4)/C2=O)c1	CoCoCo_121886,ZINC22_4838032,CoCoCo_121884,PC-id_5759561	392.431	KKJAVORLZNJHNR-GDNBJRDFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120611
Cc1cccc(NC(=O)COc2ccccc2/C=c/2sc3ncnn3c2=O)c1	ZINC22_256055581,PC-id_117588378	392.431	MADYUJUCLSJYSC-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120612
Cc1cccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2)c1	PC-id_117588482,ZINC22_256055898	392.431	YKSRMSGHJXTDJF-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120613
Cc1cccc(NC(=O)COc2cccc(/C=c/3sc4ncnn4c3=O)c2)c1	PC-id_117588434,ZINC22_256055628	392.431	NSDQXCUXJFEZNY-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120614
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3sc4c(c3C#N)CCC4)/C2=O)cc1	ZINC22_95471465,PC-id_45921358,SPECS-id_AT-138/QI01558	392.431	PUFXZXRJAIHBGD-GDNBJRDFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120615
Cc1ccc(NC(=O)COc2ccccc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_47154580	392.431	SVPAANDAPSVHCF-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120616
Cc1ccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2)cc1	PC-id_117588488,ZINC22_256055873	392.431	XGQVMPYUULGIMF-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120617
Cc1ccc(NC(=O)COc2cccc(/C=c/3sc4ncnn4c3=O)c2)cc1	PC-id_117588435,ZINC22_256055322	392.431	BTVQTCDWANGUFV-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120618
COc1ccc(/C=C/c2nc3s/c(=Cc4cccnc4)/c(=O)n3n2)cc1OC	EMOLS-id_45965717,ZINC22_16742151	392.431	WYAMSRWTKVXPPS-XMFMUOABSA-N	00000000100000111001000010000000000000000000000000000000	25-01-120619
COc1ccc(/C=C/c2nc3s/c(=C/c4cccnc4)/c(=O)n3n2)cc1OC	ZINC22_95951256	392.431	WYAMSRWTKVXPPS-BRHQFWLOSA-N	00000000100000111001000010000000000000000000000000000000	25-01-120620
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCc1ccc(cc1)C	MCULE-2628533401	392.431	WVLALWOWGCBPPF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120621
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCc1ccc(cc1)C	MCULE-4500865494	392.431	SDEJQUNQGLCFGB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120622
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCc1ccc(cc1)C	MCULE-5317637894	392.431	BZGMOCXBEHIOQK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120623
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)C)c2=O	MCULE-3958136840	392.431	SVPAANDAPSVHCF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120624
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)C)c2=O	MCULE-4655313820	392.431	XGQVMPYUULGIMF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120625
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccccc1C)c2=O	MCULE-5408395308	392.431	LZQJJRXSKNESMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120626
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccccc1C)c2=O	MCULE-6703892564	392.431	SJFFFJYLHBIQEH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120627
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccccc1C)c2=O	MCULE-6743981480	392.431	BIPLFXBODHFQTN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120628
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)C)c2=O	MCULE-7614492028	392.431	BTVQTCDWANGUFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120629
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1cccc(C)c1)c2=O	MCULE-1418199614	392.431	NSDQXCUXJFEZNY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120630
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1cccc(C)c1)c2=O	MCULE-1927974545	392.431	MADYUJUCLSJYSC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120631
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1cccc(C)c1)c2=O	MCULE-3485187742	392.431	YKSRMSGHJXTDJF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120632
n12nc(nc1sc(=Cc1cccnc1)c2=O)C=Cc1ccc(c(OC)c1)OC	EMOLS-id_26565851,MCULE-4230208439	392.431	WYAMSRWTKVXPPS-UHFFFAOYSA-N	00000000100000111001000010000000000000000000000000000000	25-01-120633
N1(c2ccc(cc2)C)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=O)NC1=O	MCULE-6114112295,PC-id_71820110	392.431	PUFXZXRJAIHBGD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120634
N1C(=O)C(=CNc2sc3CCCc3c2C#N)C(=O)N(C1=O)c1cc(C)ccc1	MCULE-5683994337,PC-id_6825170	392.431	KKJAVORLZNJHNR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120635
N#Cc1c(N/C=C/2C(=O)NC(=O)N(C2=O)c2cccc(c2)C)sc2c1CCC2	CoCoCo_121887,CoCoCo_121885,PC-id_56691833	392.431	KKJAVORLZNJHNR-XNTDXEJSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120636
C(=O)(CNC(=O)CNC(=O)CN)NCC(=O)Nc1sc2CCCc2c1C#N	MCULE-2512744894,EMOLS-id_328082198	392.433	KFJJBKSUYZCXBN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120637
S(=O)(=O)(N1CCCC1)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590558	392.433	XYYKCJDPAXRJTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120638
CC(c1nnc2n1CCC2)NCc1ccc(s1)c1ccc(cc1)C(F)(F)F	MCULE-4425633744,EMOLS-id_257856147	392.441	ZTPNBFYEHHDKRT-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-120639
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(OC(F)F)cc1)C)C#N	PC-id_8111299	392.443	ADILNFFFIYTWIT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-120640
c1(NC(=O)Cc2ccc(cc2)F)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862244,CoCoCo_5277558,MCULE-3078624090,EMOLS-id_24913249,ZINC22_23138921	392.448	ZAHOFOWZZSXMIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120641
c1(NC(=O)COc2ccccc2F)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277504,PC-id_30862109,MCULE-1251230713,ZINC22_23138769,EMOLS-id_24913149	392.448	DLDKDRWQIINHJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120642
c1(NC(=O)COCC)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	PC-id_30862853,CoCoCo_5277812,ZINC22_23139634,EMOLS-id_24913619,MCULE-4925900558	392.448	VQRCVVMXYWMUEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120643
Cn1nc2c(c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CCC2	CoCoCo_5273051,PC-id_51696548,ZINC22_35596685	392.448	ZYGWHQCDHVLXGI-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120644
Cn1nc2c(c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CCC2	ZINC22_35596684,PC-id_51696547,CoCoCo_5273052	392.448	ZYGWHQCDHVLXGI-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120645
Cn1nc2CCCc2c1NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1	MCULE-7889105222,EMOLS-id_28189039,PC-id_44062369	392.448	ZYGWHQCDHVLXGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120646
Fc1ccc(cc1)C(=O)N1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100175843	392.448	BDFZAYCELWUPGP-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-120647
Fc1cccc(c1)C(=O)N1CCCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100177955	392.448	ISRJKVNYFXLDLO-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-120648
O=C(c1ccc(c(c1)F)C)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100180235	392.448	KLHPOKVSHTUMSP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120649
S1Cc2c(nn(c2NC(=O)COc2ccc(F)cc2)CC(=O)NCCC)C1	PC-id_44052841	392.448	CZUXPEXZXYFGBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120650
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)Cc1oc(cc1)C(=O)OC	MCULE-5141302590,EMOLS-id_186647511	392.449	XBQBVHDVMWWYGQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120651
CCOC(=O)n1nc2c(c1NC(=O)C1CC1)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015669,SCHEMBL12879076	392.449	AQNXOVOJCPEOPL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-120652
CN(C)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1	ZINC22_5159394,STOCK4S-38983,EMOLS-id_26339844	392.449	UDPGQODNKBHDGF-LKZNJTCTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120653
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)C=Cc1ccc(cc1)F	MCULE-3979233321	392.449	UDPGQODNKBHDGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120654
s1c2CCCc2cc1C(=O)OCC(=O)C1C(=[N+](CCC)C(=O)N(C1=O)C)N	PC-id_73266352	392.449	LWUNDWVIASFVNX-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-120655
s1c2c(CCC2)c(c1NC(=O)C=Cc1sc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_3637955	392.449	ZAZLDCQFIJLYTR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120656
CCOC(=O)c1c(C)n[nH]c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328220798,MCULE-8589860281	392.451	DPBQGLBGJYDONH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120657
CCOC(=O)c1cnn(C)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328221564,MCULE-4146146203	392.451	LZJCYPWSPJMDLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120658
CC(=O)Nc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109290	392.451	RDNASJPQDLGACA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-120659
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)OC	SCHEMBL2915142,PC-id_68439490	392.451	IASNCTOJXMSCAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120660
COc1ccc(c(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)OC	SCHEMBL2918012,PC-id_68440494	392.451	AOXLAWGNSXWLQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120661
COc1cccc(c1C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1)OC	PC-id_68439492,SCHEMBL2915145	392.451	OKZDEKULBJCKOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120662
COc1ccc(c(c1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1)OC	PC-id_68440495,SCHEMBL2918015	392.451	CNSKAJSSEOWJPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120663
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2917888,PC-id_68440453	392.451	MEHHGBQAYDDNJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120664
COc1cc(ccc1OC)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2917893,PC-id_68440455	392.451	WBAWBQFCCUOOTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120665
COc1cc(C(=O)N(C)Cc2nnc3n2CCC3)ccc1OCc1ccccc1	ZINC22_11120812,PC-id_24237639,EMOLS-id_17178397,MCULE-8591516003,CoCoCo_4525760	392.451	UBAPJMLIDPWRCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120666
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C	SCHEMBL2918117,PC-id_68440524	392.451	SUOVKGPVPDKBPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120667
COc1cc(OC)cc(c1)C(=O)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2918119,PC-id_68440525	392.451	HSSOYGLMHUAOOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120668
COCCOc1ccccc1C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1	MCULE-5884755464,ZINC22_170611397,PC-id_86819584,EMOLS-id_49980126	392.451	CNFMPLGRZDTIRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120669
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CNC(=O)c1ccccc1	PC-id_92109272	392.451	WPXDDQGHDOXXFA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-120670
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1ccc(nc1)[N+](=O)[O-]	SCHEMBL3395075,PC-id_46893271	392.453	QBCYOIYSMMVCFG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-120671
O1[C@@](CN2CCN(CC2)C(=O)NC2CCCCC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479526,SCHEMBL5536119	392.453	UXZAZMDUDSQSCU-SFHVURJKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120672
O1C(CN2CCN(CC2)C(=O)NC2CCCCC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479529,SCHEMBL5536124	392.453	UXZAZMDUDSQSCU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120673
s1c2c(CCC2)c(c1NC(=O)CSC1=NC(=O)C(=C)N=N1)C(=O)OCC	PC-id_78201879	392.453	FRFZTLYABPXQLR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-120674
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cn(nc1C)CC	MCULE-4139795742	392.454	DTHDXWWRBPTBMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120675
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cn(nc1C)CC	EMOLS-id_316319032,MCULE-8785130474	392.454	DTHDXWWRBPTBMR-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120676
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCn3cc(cn3)C)Cc12	EMOLS-id_316320568,MCULE-6167294939	392.454	UCOVOEMPBYMQND-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120677
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cn3c(C)cc(C)n3)Cc12	MCULE-2014982251,EMOLS-id_316320057	392.454	MBVUGBDABGAYBV-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120678
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCn3cc(cn3)C)Cc12	MCULE-1592202608	392.454	UCOVOEMPBYMQND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120679
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cn3c(C)cc(C)n3)Cc12	MCULE-4037445928	392.454	MBVUGBDABGAYBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120680
Cc1ccnc(c2noc(CC3CCN(C(=O)c4cnn5c4CCC5)CC3)n2)c1	MCULE-7352398427,ZINC22_881654335,EMOLS-id_316951147	392.454	OMMSONOMCZZKEQ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-120681
CC(c1onc(n1)c1ccccc1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98027200	392.454	YXBWKMANAZWSAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120682
Cc1nnc2n1N=C(C2=NNc1nc(ns1)C(C)C)SCC(=O)C1CO1	PC-id_89282648	392.459	NQCQWFOADQQJOI-UHFFFAOYSA-N	00100011100000000001000010000000000000000000000000000000	25-01-120683
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)F)sc2c(CCC2)c1C#N	ZINC22_10218920,ChEMBL-DNDi_CHEMBLF2815-0327,MCULE-1427977317,PC-id_18585973,EMOLS-id_5624616,CoCoCo_5189842	392.468	FUVFROZFOFVGJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120684
c1(NC(=S)NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	ChemDIV1683-0661,CoCoCo_96735,TIMTEC210499,PC-id_987793,BAS-00570370,ZINC22_636905,MCULE-1382271834,EMOLS-id_663039	392.468	ICUYTHJBNYOJRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120685
CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCC2	ZINC22_408625249	392.468	XAJBWAJLJHAYPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120686
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(F)c(OC)cc1)C)C(=O)N	PC-id_9432025	392.468	QFNVXPKLHMSDCJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-120687
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(F)cccc1)C(=O)OCC	PC-id_4950362	392.468	QZWGARXTMGYYDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120688
CCOC(=O)Cc1csc2[n+]1C(=O)/C(=C/c1ccc(OC)c(OC)c1)/S2	CoCoCo_5723863,PC-id_5467783,ZINC22_1636878	392.469	PZBQPQOMHBLXNJ-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120689
CCOC(=O)Cc1csc2[n+]1C(=O)/C(=Cc1ccc(OC)c(OC)c1)/S2	CoCoCo_5723864,ZINC22_8665060	392.469	PZBQPQOMHBLXNJ-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120690
CCOC(=O)/C=C/SC=C(C)N1CCn2c(cc(C(=O)OCC)c12)C(=O)C	EMOLS-id_317499825	392.469	XKPKSATWHLLZOH-GCQYFXBWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120691
CCOC(=O)/C=CS/C=C(C)/N1CCn2c(cc(C(=O)OCC)c12)C(=O)C	ZINC22_12338454,EMOLS-id_45783025	392.469	XKPKSATWHLLZOH-WMWUNQATSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120692
S1c2scc([n+]2C(=O)C1=Cc1cc(OC)c(OC)cc1)CC(=O)OCC	PC-id_377543	392.469	PZBQPQOMHBLXNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120693
S(C=C(N1c2n(CC1)c(cc2C(=O)OCC)C(=O)C)C)C=CC(=O)OCC	PC-id_2768796	392.469	XKPKSATWHLLZOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120694
S(/C=C(/N1c2n(CC1)c(cc2C(=O)OCC)C(=O)C)C)C=CC(=O)OCC	PC-id_5707991	392.469	XKPKSATWHLLZOH-PKLFPXQXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120695
S(/C=C(/N1c2n(CC1)c(cc2C(=O)OCC)C(=O)C)C)/C=C/C(=O)OCC	PC-id_5910801	392.469	XKPKSATWHLLZOH-KVAQXVMESA-N	00000010100000000001000010000000000000000000000000000000	25-01-120696
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1OC	CoCoCo_81812,BAS-00486966,EMOLS-id_1231089,ZINC22_1188314,MCULE-2718370480,PC-id_1350472	392.471	KWMGSYYWZHPQRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120697
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)OC	EMOLS-id_1231069,BAS-00486946,ZINC22_953701,CoCoCo_81802,MCULE-8770381252,PC-id_1190623	392.471	MEIUEMMYCYBJML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120698
c1(c2CCCc2sc1NC(=O)C)C(=O)Nc1ccc(cc1)Oc1ccccc1	EMOLS-id_2190322,PC-id_1333091,MCULE-3169156036,CoCoCo_880105,ZINC22_1165702	392.471	YDEKOIIEYSQHHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120699
c1(NC(=O)c2ccc(cc2)Oc2ccccc2)sc2c(CCC2)c1C(=O)NC	PC-id_7475033,MCULE-1303239838,ZINC22_5055735,CoCoCo_2590290,EMOLS-id_16349159	392.471	JVXISRCWARYMIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120700
c1(NC(=O)c2cccc(c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)N	ZINC22_2835405,CoCoCo_937099,MCULE-8777313214,EMOLS-id_2306790,PC-id_2192112	392.471	SNHBCIQILNSEEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120701
c1(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c(CCC2)c1C(=O)NC	PC-id_7475031,MCULE-1601783275,EMOLS-id_16349157,CoCoCo_2590289,ZINC22_5055733	392.471	ZKGGAWSQHMQDIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120702
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1025530721	392.471	NGFCOSZTTLBEDC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-120703
c1(NC(=O)COc2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_1187388,EMOLS-id_1132780,MCULE-8922994503,CoCoCo_1700058,ZINC22_949309	392.471	WRQKROXIYCMCQZ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120704
Cc1ccc(cn1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331260257	392.471	AUEWWVSZDCWOPS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120705
COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc3CCCc3s2)cc1	EMOLS-id_3013891,PC-id_2373381,MCULE-9082354390,ChEMBL-DNDi_CHEMBL1460190,BindingDB_PC-id_2373381,ZINC22_3256739,CHEMBL1460190,CoCoCo_3179415,BindingDB-id_91392	392.471	WWPWCFPSMFCAKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120706
COc1cccc(CNC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)c1	PC-id_97442313,EMOLS-id_44303546,ZINC22_96146786	392.471	NQDGFRJPCPWVFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120707
COc1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1	MCULE-2034088736,CoCoCo_3335704,ZINC22_8071089,EMOLS-id_11966130,PC-id_9203581	392.471	YQCLUDWOMMAMEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120708
COC(=O)c1c(NC(=O)c2ccc(c3ccccc3)nc2C)sc2c1CCC2	MCULE-1362884626,EMOLS-id_45633430,PC-id_71943948,ZINC22_89537046	392.471	KSFJYUJUMZDOIV-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-120709
NC(=O)c1c2c(CCC2)sc1NC(=O)c1ccc(OCc2ccccc2)cc1	CoCoCo_3218540,SPECS-id_AG-670/41728692,ZINC22_724778,MCULE-1870860108,PC-id_1048362,EMOLS-id_43812096	392.471	NXXIVAULTGWTJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120710
O=C(Nc1sc2CCCc2c1C(=O)NCc1ccco1)/C=C/c1ccccc1	EMOLS-id_334336173	392.471	NGFCOSZTTLBEDC-VAWYXSNFSA-N	00000010101000110000000010000000000000000000000000000000	25-01-120711
O=C(NNC(=O)c1sc2c(c1)CCC2)COc1ccc(cc1)c1ccccc1	MCULE-2308847520,EMOLS-id_12001437,PC-id_17558325,CoCoCo_3221863	392.471	AXIWOMZODFSUBX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120712
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1	PC-id_26872779	392.471	LSMGCOMKTGQBON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120713
s1c2CCCc2cc1C(=O)NNC(=O)COc1c(c2ccccc2)cccc1	PC-id_26872396	392.471	UPYNAJQVUJVNRS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-120716
c1(C(=O)NCCOC)cc2n(C[C@@H](NS(=O)(=O)Cc3ccc(cc3)C)C2)n1	MCULE-6648876015,EMOLS-id_316335920	392.473	OILGBDILJGBAIK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120717
c1(C(=O)NCCOC)cc2n(CC(NS(=O)(=O)Cc3ccc(cc3)C)C2)n1	MCULE-7989535078	392.473	OILGBDILJGBAIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120718
CCc1ccc(cc1)S(=O)(=O)N[C@H]1Cc2cc(nn2C1)C(=O)NCCOC	EMOLS-id_316332863,MCULE-4299055320	392.473	BEMLNVQYSPDZEI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120719
CCc1ccc(cc1)S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCCOC	MCULE-3759162798,EMOLS-id_316324148	392.473	UZWZMBDUQSIOHF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120720
CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7561906885,EMOLS-id_328232015	392.473	BBZXBTOHPCOXLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120721
CCN(CC)C(=O)c1cccc(c1)S(=O)(=O)N1Cc2cnn(CCO)c2C1	EMOLS-id_46617674,MCULE-7047923924,ZINC22_95366138,PC-id_72873880	392.473	NGDKCSSTZYBZDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120722
COCCNC(=O)c1cnn2c1CC(C2)NS(=O)(=O)c1ccc(cc1)CC	MCULE-7578731773	392.473	UZWZMBDUQSIOHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120723
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CC(C)C)C)C(=O)N	PC-id_51142244	392.473	CDVCXMHYWRQKLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120724
S(=O)(=O)(c1ccc(cc1)CC)NC1Cc2n(nc(C(=O)NCCOC)c2)C1	MCULE-2362708272	392.473	BEMLNVQYSPDZEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120725
c12c(CCC1C(=O)NCc1ccccn1)sc(NC(=O)c1ccc(cc1)C)n2	EMOLS-id_12347143,MCULE-5317796414,PC-id_16947541	392.474	HNJCFMJBMILCNF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120726
c12c(CCC1C(=O)NCc1cccnc1)sc(NC(=O)c1ccc(cc1)C)n2	MCULE-6395388685,PC-id_16947540,EMOLS-id_12347141	392.474	QWQJDSVAFKFDMY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120727
c12c(CCC1C(=O)NCc1ccncc1)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947625,MCULE-9456982650,EMOLS-id_12347311	392.474	QRLQRMLSGBUMET-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120728
c1(NC(=O)c2cnccn2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334334882,MCULE-8382848592	392.474	BUIMTTGGUGXYIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120729
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccccn2)cc1	CoCoCo_5124812,PC-id_40894827,ZINC22_8979783	392.474	HNJCFMJBMILCNF-MRXNPFEDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120730
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccccn2)cc1	PC-id_40894826,ZINC22_8979782,CoCoCo_5124813	392.474	HNJCFMJBMILCNF-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120731
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2cccnc2)cc1	CoCoCo_5124811,ZINC22_8979780,PC-id_40894824	392.474	QWQJDSVAFKFDMY-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120732
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2cccnc2)cc1	PC-id_40894825,ZINC22_8979781,CoCoCo_5124810	392.474	QWQJDSVAFKFDMY-MRXNPFEDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120733
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccncc2)cc1	CoCoCo_5124845,ZINC22_8979788,PC-id_40894832	392.474	QRLQRMLSGBUMET-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120734
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccncc2)cc1	PC-id_40894833,CoCoCo_5124844,ZINC22_8979789	392.474	QRLQRMLSGBUMET-MRXNPFEDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120735
CN(C)c1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324849402	392.474	HYTSMFBBRFUGGD-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120736
CN(C)c1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324867587	392.474	BONNHJCOVWYVGM-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120737
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)COc1ccc(cc1)C	MCULE-7465433526	392.474	BONNHJCOVWYVGM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120738
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)CCOc1ccccc1	MCULE-4717583394	392.474	HYTSMFBBRFUGGD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120739
O=C(N(c1sc2c(n1)C(=O)N(C2)Cc1ccccc1)C)Nc1ccccc1C	EMOLS-id_33030374,PC-id_53188455,MCULE-3841131965	392.474	SNWUWBSLTNPZSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120740
O=C(N(c1sc2c(n1)C(=O)N(C2)Cc1ccccc1)C)NCc1ccccc1	MCULE-7875145493,PC-id_53188450,EMOLS-id_33030364	392.474	NUZDMBOGIRVMDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120741
S1Cc2c(nn(c2NC(=O)c2ccccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053390	392.474	JJZSLLGPQDEIDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120742
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCc2nnc3n2CCC3)cc1	PC-id_52191899,ZINC22_43528643,EMOLS-id_36633740,MCULE-2398759282	392.476	LIYSHQMPQKTASP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120743
CC(C)c1ccc(c2nnn(CC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1	PC-id_8195353,EMOLS-id_3494126,MCULE-1318818374,ZINC22_7061103,CoCoCo_3952069	392.477	YCKIZTWIDMKRSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120744
Cc1ccc(cc1F)S(=O)(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1	PC-id_97519230,ZINC22_96259141,EMOLS-id_44369834	392.491	LAZDDUZUFOMOSK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120745
c1(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_22582908,ZINC22_15822891,EMOLS-id_16349223,MCULE-5768816849,CoCoCo_2590326	392.492	LEYOSYZSMXBNPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120746
c1(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NC	CoCoCo_5058663,ZINC22_4335457,PC-id_7195562,EMOLS-id_28208556,MCULE-2543194593	392.492	HGGBEWLRDXBPDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120747
c1(NC(=O)CCS(=O)(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-7018117702,EMOLS-id_32180800,ZINC22_10620527,PC-id_41582836	392.492	AIDDDBYJZBWOQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120748
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCC2	EMOLS-id_2985958,CHEMBL1601621,ZINC22_4949683,MCULE-6370974432,PC-id_4188174,CoCoCo_3325817	392.492	TYSGZDDATIZBOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120749
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(s1)CCC2	EMOLS-id_13468757,CoCoCo_3326373,PC-id_17446786,ZINC22_14118749,GD-id_ZINC14118749,MCULE-8594499257	392.492	YNEBOSWYHUTGKD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120750
s1c2CCCc2cc1C(=O)NNC(=O)CCS(=O)(=O)c1ccc(cc1)C	PC-id_8115879	392.492	YMALCSMPIKWPEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120751
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1ccsc1)C)C(=O)N	PC-id_8959376	392.492	LLIVCMHEMWVKPT-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-120752
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1ccsc1)C)C(=O)N	PC-id_8959377	392.492	LLIVCMHEMWVKPT-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120753
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1sccc1)C)C(=O)N	PC-id_8398156	392.492	CQGOXXJZSMUFEZ-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-120754
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1sccc1)C)C(=O)N	PC-id_8398157	392.492	CQGOXXJZSMUFEZ-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120755
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(c(c1)C)CC)C(=O)N	PC-id_7651324	392.492	JKOQTEIGJTXRQO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120756
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(c(CC)c1)C)C(=O)N	PC-id_7801026	392.492	DVOLXSCKFSQROT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120757
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1ccsc1)C)C(=O)N	PC-id_24499314	392.492	LLIVCMHEMWVKPT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120758
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1sccc1)C)C(=O)N	PC-id_78685520	392.492	CQGOXXJZSMUFEZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120759
s1c2c(CCC2)c(c1NC(=S)Nc1cc(OC)cc(OC)c1)C(=O)OC	PC-id_20411426	392.492	OAEXIUINCLIIAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120760
s1c2c(CCC2)c(c1NC(=S)Nc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_19677419	392.492	TVQMYCUYAKUXKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120761
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC)ccc(OC)c1)C(=O)OC	PC-id_20411326	392.492	CRDZEJZFQKSKCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120762
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC)cc(OC)cc1)C(=O)OC	PC-id_20411286	392.492	OIXSDPCRCJOZSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120763
CCOc1cc(CNC(c2nnc3n2CCC3)C)ccc1OCc1ccccc1	MCULE-9115149892,PC-id_45883802	392.494	VWNSRSBNOLTVMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120764
CCOc1cc(CN[C@H](C)c2nnc3n2CCC3)ccc1OCc1ccccc1	PC-id_51941242,ZINC22_40088635,CoCoCo_4858057	392.494	VWNSRSBNOLTVMI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120765
CCOc1cc(CN[C@@H](C)c2nnc3n2CCC3)ccc1OCc1ccccc1	ZINC22_40088634,PC-id_51941240,CoCoCo_4858058	392.494	VWNSRSBNOLTVMI-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120766
COc1ccc([C@H](Cc2ccccc2C)N[C@@H]2C[C@H](C)n3ncnc23)cc1OC	ZINC22_924856744	392.494	XXKCXXUDPXUMBQ-FFZOFVMBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120767
COc1ccc([C@H](Cc2ccccc2C)N[C@@H]2C[C@@H](C)n3ncnc23)cc1OC	ZINC22_924856746	392.494	XXKCXXUDPXUMBQ-LSTHTHJFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120768
COc1ccc([C@H](Cc2ccccc2C)N[C@H]2C[C@@H](C)n3ncnc23)cc1OC	ZINC22_924856750	392.494	XXKCXXUDPXUMBQ-UXPWSPDFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120769
COc1ccc([C@H](Cc2ccccc2C)N[C@H]2C[C@H](C)n3ncnc23)cc1OC	ZINC22_924856752	392.494	XXKCXXUDPXUMBQ-VDGAXYAQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120770
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)NCCCc1ccccc1	PC-id_92109586	392.494	NAUXEUFVNCNJET-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-120771
c1(NC(=O)c2cccs2)c2CSCc2nn1CC(=O)NCC1CCCO1	MCULE-1042908115,EMOLS-id_24913365,PC-id_44053091	392.496	NKNGARAPSFFBNO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120772
c1(NC(=O)c2snnc2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16453535,MCULE-7016109372,TIMTEC446591,EMOLS-id_9879183	392.496	SFWKTYGTBMLMJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120773
c1(NC(=O)CSc2nnc(C3CC3)n2C)sc2c(CCC2)c1C(=O)OC	TIMTEC230588,ZINC22_17080201,CoCoCo_6799472,PC-id_5178851,EMOLS-id_4070718,MCULE-4675278938	392.496	IZFIMASIFZSDCX-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120774
c1(NC(=S)NNC(=O)Cc2cccn2C)sc2c(CCC2)c1C(=O)OC	PC-id_2956414,TIMTEC429385,MCULE-9852032700,EMOLS-id_2471478,CoCoCo_997098	392.496	RMVHCSAQJIZXAR-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-120775
Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	CoCoCo_6286601,ZINC22_11913927,PC-id_42278449	392.496	SFWKTYGTBMLMJH-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-120776
Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	ZINC22_11913928,CoCoCo_6286602,PC-id_42278450	392.496	SFWKTYGTBMLMJH-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120777
CCCc1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCC2)C(=O)N	CoCoCo_2965915,CoCoCo_2965917,PC-id_135538473,CoCoCo_2965916	392.496	NUICFBYWNXEVGV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120778
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1nnc2n1CCC2	PC-id_97308150,ZINC22_95942723	392.496	RLYGTHAQXASCKJ-UONOGXRCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120779
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1nnc2n1CCC2	ZINC22_95942721,PC-id_97308148	392.496	RLYGTHAQXASCKJ-KBPBESRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120780
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1nnc2n1CCC2	ZINC22_95942722,PC-id_97308149	392.496	RLYGTHAQXASCKJ-KGLIPLIRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120781
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1nnc2n1CCC2	ZINC22_95942724,PC-id_97308151	392.496	RLYGTHAQXASCKJ-ZIAGYGMSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120782
CCOC(=O)Nc1c(c(ns1)C)/C(=N/NC(=O)c1cc2c(s1)CCC2)/C	PC-id_135618338	392.496	MDPBDNICBRZYTG-DJKKODMXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120783
O=C(Cn1nc2c(c1NC(=O)c1cccs1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277641,PC-id_30862458,ZINC22_23139158	392.496	NKNGARAPSFFBNO-LLVKDONJSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120784
O=C(Cn1nc2c(c1NC(=O)c1cccs1)CSC2)NC[C@@H]1CCCO1	ZINC22_23139155,PC-id_30862456,CoCoCo_5277640	392.496	NKNGARAPSFFBNO-NSHDSACASA-N	00000010100100000001000010000000000000000000000000000000	25-01-120785
O=C(N1C(CCCC1)C(NC(=O)OC(C)(C)C)C)NCc1n2CCCc2nn1	PC-id_75457864,EMOLS-id_48837568,MCULE-2109295914	392.496	RLYGTHAQXASCKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120786
s1c2CCCc2cc1C(=O)NNC(=C1C(=NSC1=NC(=O)OCC)C)C	PC-id_9394486	392.496	PEMJAYZTMOUVHT-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-120787
s1c2CCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)N1CCOCC1	PC-id_9278394	392.496	IZGZBEBPULYFCY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120788
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CC2)cnn1)C(=O)OCC	PC-id_33396400	392.496	SOBGNEZJLDHBOC-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-120789
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC=C)c(nn1)C)C(=O)OC	PC-id_19715839	392.496	WUMFEMJXVAYJCZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120790
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC=C)cnn1)C(=O)OCC	PC-id_7802758	392.496	MZXOOCUYNSAOSZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120791
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCc2n1)c1cccnc1	PC-id_46409216	392.496	RNSMCMQKZHKXOD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-120792
c1(NC(=O)CSc2ncnc(c3ccccc3)c2)sc2c(CCC2)c1C#N	PC-id_23611439,ZINC22_12017048,CoCoCo_2248362,EMOLS-id_14822611,MCULE-6378688396	392.497	AOFXUYPVXIMANR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120793
CN(CC(n1ncc(c1)NC(=O)c1n[nH]c2c1CC(C2)(C)C)c1ccccc1)C	PC-id_73291857,SCHEMBL16765582	392.497	CKEGCZYMKAQMGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120794
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cn(nc1)c1ccccc1)C)C#N	PC-id_41105239	392.497	IRYXOJRUIQXWJE-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-120795
NC(=O)c1c(NC(=O)CSc2nnnn2C2CCCC2)sc2c1CCC2	CoCoCo_4238386,EMOLS-id_11718221,PC-id_9361308,MCULE-2131855779,ZINC22_8230762	392.499	YSUYSBKYVDNEEK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-120796
S1Cc2c(nn(c2NC(=O)CSc2ncccn2)CC(=O)NCCC)C1	PC-id_44052851	392.499	BDVHPESSAGQCGT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-120797
CCc1nn2c(/c/1=CC=Cc1c(CC)[nH]n3c1nc(n3)C(C)C)nc(n2)C(C)C	PC-id_121320881	392.501	DDBGYXKHYQUJGH-RKVFCIRRSA-N	00000000100000000001000110000000000000000000000000000000	25-01-120798
CCc1nn2c(c1/C=C/C=c
/c(CC)nn3c1nc(n3)C(C)C)[nH]c(n2)C(C)C	SCHEMBL17732432	392.501	KXRVPVVIWZAGEC-RKVFCIRRSA-N	00000000100000000001000110000000000000000000000000000000	25-01-120799
CCNC(=NCc1ccccc1n1nc(cc1C)C)NCc1nnc2n1CCC2	PC-id_112393996	392.501	FWBUZBBDPNIYFZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120800
c1(c2CCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)NC1CCCCC1	TIMTEC79908,PC-id_17377073,MCULE-7332551362,EMOLS-id_4070740	392.512	BMTPIMBVNGETAC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120801
C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2	CoCoCo_6832087,PC-id_27521698,ZINC22_17080210	392.512	BMTPIMBVNGETAC-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120802
C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2	PC-id_27521696,ZINC22_17080209,CoCoCo_6832088	392.512	BMTPIMBVNGETAC-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120803
CCOC(=O)c1c(NC(=O)CCCCC(=O)N2CCCC2)sc2CCCc12	EMOLS-id_328158347,MCULE-7707337280	392.512	HZIANKCXWRJDOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120804
CCOC(=O)c1c(NC(=O)CCCC(=O)N2CCCCC2)sc2CCCc12	EMOLS-id_328171902,MCULE-9048923561	392.512	LBEJUWVROOYMJP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120805
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCCC	PC-id_45663339	392.512	IWJULXULSYIWPH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120806
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C(=O)N(C)C)C	PC-id_75856571	392.512	VBVJTBRZSXKRBX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120807
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C(=O)N(C)C)C	PC-id_52477781	392.512	VBVJTBRZSXKRBX-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120808
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C(=O)N(C)C)C	PC-id_52477782	392.512	VBVJTBRZSXKRBX-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120809
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCC1CCCCC1)C(=O)N	PC-id_7554806	392.512	JMICXEACBGKCRA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120810
CCC(N1Cc2c(S1=O)cc(s2)CN1CCS(=O)(=O)CC1)C(=O)O	PC-id_70259184,SCHEMBL8030629	392.514	KCEYKAQWLUXITR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120811
CSCCc1ccc2n1C(=O)N[C@H]2Cc1ccc(cc1)OCc1ccccc1	PC-id_101788064	392.514	PAMCXWMBWHLGAM-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120812
CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)n1c(=O)n2CCNc2n1)C(C)C	PC-id_135873307	392.516	KEZICRIAISBCIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120813
O=C(N1CCC(CC1)C(=O)N1CCOCC1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102001992	392.516	XNWJBBNORLMDBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120814
s1c2c(CCC2)cc1C(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCCC	PC-id_78365039	392.516	ASPJLVSMAXXQNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120815
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)NC(C)C)C(=O)N	PC-id_56278322	392.516	YCCUXVLQKQZXHN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-120816
S1Cc2c(NC(=O)C3CCCCC3)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053118	392.516	WXWJMBTUYVSUIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120817
S1Cc2c(NC(=O)CC3CCCC3)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053121	392.516	TYTXHVXGNMKERB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120818
s1c2CCCc2cc1C(=O)NN=Cc1c(n(nc1C)Cc1ccc(cc1)C)C	PC-id_85015432	392.517	PVOXRFJEMLBBCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120819
CCCCCC1C(CC(=O)O)Cc2c1nc(s2)NC(=O)Cc1cccs1	SCHEMBL11988485,PC-id_17747094	392.535	NAPSXWSUQQWHDX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-120820
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CCC3)c1	PC-id_4226659,CoCoCo_3177299,ZINC22_5021067,MCULE-6734647379,EMOLS-id_3013889	392.535	DBJMLLFLLFFXKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120821
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3c(s2)CCC3)ccc1C	CoCoCo_3177496,EMOLS-id_2986586,ZINC22_4950236,PC-id_3346586,MCULE-4086564065	392.535	LWNGLBAUHOAQOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120822
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1c(C)c(C)c(c(c1C)C)C	CoCoCo_3532721,PC-id_17518762	392.535	MBMSDXGKRWGYSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120823
s1c2CCCc2cc1C(=O)Nc1ccc(S(=O)(=O)N(CCCC)C)cc1	PC-id_9223896	392.535	JYDDOPSQEFWFJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120824
s1c2CCCc2cc1C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_9474518	392.535	HPEUXYKVPKGVNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120825
s1c2CCCc2cc1C(=O)NCc1c(CS(=O)(=O)NC(C)C)cccc1	PC-id_34565479	392.535	PFNCPXBMYHCOLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120826
s1c2c(CCC2)c(c1NC(=O)CN(C(c1sccc1)C)C)C(=O)OCC	PC-id_18124866	392.535	YPRSHOPQDVUPAH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120827
s1c2c(CCC2)c(c1NC(=O)CN(Cc1sccc1)CC)C(=O)OCC	PC-id_8718253	392.535	AURCJFRLQCFENF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120828
s1c2c(CCC2)c(c1NC(=O)CN(Cc1sccc1C)C)C(=O)OCC	PC-id_9433887	392.535	RMXISBXFKCDOLA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120829
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N(C)Cc1c(C)nn(C)c1C	ChEMBL-DNDi_CHEMBL7789913,CoCoCo_991141,EMOLS-id_2003117,TIMTEC119606,ZINC22_2852400,MCULE-2842149066,PC-id_2206043	392.539	DEYBYCXVXZKICP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120830
Cc1c(cccc1NS(=O)(=O)c1cnc2n1CCC2)CN1CCSCC1	EMOLS-id_101130204	392.539	GRIJZFOJWXNQIK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120831
Cc1ccc(cc1NS(=O)(=O)c1cnc2n1CCC2)CN1CCSCC1	EMOLS-id_97700108	392.539	LQGYSMHFZRGERI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120832
Cc1cc(ccc1NS(=O)(=O)c1cnc2n1CCC2)CN1CCSCC1	EMOLS-id_97705394	392.539	AUQQGFZEVVULBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120833
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CN1C(=S)SCC1=O	PC-id_92109941	392.539	KCPRLELIHTXDRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120834
O=S(=O)(c1cnc2n1CCC2)Nc1ccc(cc1)CCN1CCSCC1	EMOLS-id_97700105	392.539	LCCZZCNCGGAQEO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120835
s1c2c(CCC2)c(c1NC(=S)NC(c1c(nn(c1)CC)C)C)C(=O)OC	PC-id_17270778	392.539	XPLKZJAWWUKKSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120836
s1c2c(CCC2)c(c1NC(=S)NC(c1c(n(nc1)CC)C)C)C(=O)OC	PC-id_17300251	392.539	OAKGNQAWBLJPAJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120837
s1c2c(CCC2)c(c1NC(=S)N(Cc1c(nn(c1)CC)C)C)C(=O)OC	PC-id_20167157	392.539	NHAOCSKGDODDBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120838
s1c2c(CCC2)c(c1NC(=S)NCc1c(n(nc1C)CC)C)C(=O)OC	PC-id_20178053	392.539	UCZNOQQHEARMIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120839
s1c2c(CCC2)c(c1NC(=S)NCCCn1nc(cc1C)C)C(=O)OC	PC-id_20174626	392.539	MBLXRKYYKHPUFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120840
Cc1nsc(n1)N1CCCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003636	392.542	ANPUJLJNJRTYET-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-120841
CCc1nsc(n1)N1CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003648	392.542	DXMSMKUFUZIDEX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120842
CC1CN(CC(O1)C)CC1CCCN1C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102002052	392.559	DGMZAWRAISGBML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120843
O=C(COc1ccc(C2SCCCS2)cc1)Nc1nc2c(s1)CCC2	PC-id_33040155,ZINC22_25768478,MCULE-4339410564,EMOLS-id_36992044	392.559	VVCKFEOEMDKASV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120844
O=C(Nc1sc2c(n1)C(CC2)(C)C)NC1CCN(CC1)C1CCCCC1O	EMOLS-id_102005517	392.559	MUZNFLIMQDFNMJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-120845
s1c2c(CCC2)c(c1NC(=S)NCCSc1ccccc1)C(=O)OC	PC-id_9094043	392.559	NAKGAPQRWRPOIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120846
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NC1CC(CC(C1)C)(C)C	PC-id_78524949	392.559	HXHGIRUQDMAUOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120847
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@@H]1CC(C[C@@H](C1)C)(C)C	PC-id_7685503	392.559	HXHGIRUQDMAUOT-OLZOCXBDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120848
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@@H]1CC(C[C@H](C1)C)(C)C	PC-id_7685504	392.559	HXHGIRUQDMAUOT-STQMWFEESA-N	00000010100010000001000010000000000000000000000000000000	25-01-120849
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@H]1CC(C[C@@H](C1)C)(C)C	PC-id_7685507	392.559	HXHGIRUQDMAUOT-CHWSQXEVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120850
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N[C@H]1CC(C[C@H](C1)C)(C)C	PC-id_7685510	392.559	HXHGIRUQDMAUOT-QWHCGFSZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120851
S(c1n(c2CCCc2n1)Cc1ncccc1)Cc1c(N(CC)CC)cccc1	PC-id_10620549	392.56	GGGZFKRDIWQHPL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120852
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](CC)(C)C)CNC2(C)C	PC-id_140817156	392.568	LCZLFGRRCPDYQK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-120853
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140817144	392.568	NEOLLQAIJJROON-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-120854
S1c2n(cc(n2)CNC(=O)C2CN(C3CC[NH+](CC3)C(C)C)CCC2)CC1	PC-id_75682875	392.582	DCGMYSSOTNPZNB-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-120855
S1c2n(cc(n2)CNC(=O)[C@H]2CN(C3CC[NH+](CC3)C(C)C)CCC2)CC1	PC-id_51600578	392.582	DCGMYSSOTNPZNB-MRXNPFEDSA-O	00000010100010000001100010000000000000000000000000000000	25-01-120856
S1c2n(cc(n2)CNC(=O)[C@@H]2CN(C3CC[NH+](CC3)C(C)C)CCC2)CC1	PC-id_51600579	392.582	DCGMYSSOTNPZNB-INIZCTEOSA-O	00000010100010000001100010000000000000000000000000000000	25-01-120857
CCOCCCC[C@H](c1c(CN(CCNC)C)nn2c1CCC2)CCCCC	SCHEMBL21321192,PC-id_139456757	392.622	TUEVRSOOUJDCOY-HXUWFJFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120858
COc1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)ccc1O	EMOLS-id_324908047	392.645	DKNIGBLQBKXLMN-UITAMQMPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120859
n12c(=O)c(=Cc3ccc(c(OC)c3)O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-9494116644	392.645	DKNIGBLQBKXLMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120860
COc1c(Br)cc(cc1S(=O)(=O)N1Cc2c(C1)cn[nH]2)Cl	EMOLS-id_319579613	392.656	FPVIXTUKAQIUHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120861
COc1c(Br)cc(cc1S(=O)(=O)N1CCn2c1ncc2)Cl	EMOLS-id_316739845	392.656	KMDMVODCASMWAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120862
CSc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324914689	392.711	DONPBRWVQQKWMR-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120863
n12c(=O)c(=Cc3ccc(SC)cc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-2923473062	392.711	DONPBRWVQQKWMR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120864
O=C(Cn1nc(C(F)F)c2c1CCC2)N=c1ccn(c2ncccc2Cl)[nH]1	ZINC22_1875317150	392.79	PJSSAPYUHMUYBL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-120865
N#Cc1c(NC(=O)COC(=O)Cc2c(F)cccc2Cl)sc2c1CCC2	CoCoCo_2921037,ZINC22_7107857,EMOLS-id_43723242,PC-id_8233580,MCULE-7079782651	392.832	RNSJFSKMFTXVHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120866
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(cc2OC)Cl)n1	MCULE-2773847621	392.837	MOZPDDVNYOCNJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120867
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(cc2OC)Cl)n1	MCULE-1483017613,EMOLS-id_317426273	392.837	MOZPDDVNYOCNJH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120868
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1)CN(C2(C)C)C(Cl)O	PC-id_143492466	392.837	QFJRZZFRFQXFJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120869
CCOC(=O)n1nc2c(c1NC(=O)C1CC=CC=C1)CN(C2(C)C)C(=O)Cl	PC-id_143492484	392.837	MFAMIKMGYGSUPT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-120870
CC(C)N1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H]1c1ccc(Cl)c(F)c1	ZINC22_290421235	392.855	NEJMKJWABZWZED-CRAIPNDOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120871
CC(C)N1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H]1c1ccc(Cl)c(F)c1	ZINC22_290421240	392.855	NEJMKJWABZWZED-MAUKXSAKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120872
CC(C)N1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H]1c1ccc(Cl)c(F)c1	ZINC22_290421242	392.855	NEJMKJWABZWZED-QAPCUYQASA-N	00000010100000110001100010000000000000000000000000000000	25-01-120873
CC(C)N1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H]1c1ccc(Cl)c(F)c1	ZINC22_290421245	392.855	NEJMKJWABZWZED-YJBOKZPZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120874
CC(N1CCC(C1c1ccc(c(c1)F)Cl)NC(=O)c1cc2n(n1)CCO2)C	EMOLS-id_316210176,MCULE-9463462219	392.855	NEJMKJWABZWZED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120875
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)CCC(=O)O	PC-id_135187047,SCHEMBL20339104	392.857	OAWBLLBESVGLJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120876
Clc1ccc(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_5165804,CoCoCo_2924578,MCULE-1876203857,EMOLS-id_257832584	392.857	NXXLJGDYBMUPOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120877
Clc1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_7521573	392.857	FYFWDEBGQGJDLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120878
Clc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)ccc1	PC-id_7521576	392.857	HXGJGPWHYPYHQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120879
Clc1c(C(=O)c2c3CC(Cc3sc2NC(=O)CN)C(=O)OC)cccc1	PC-id_72744309	392.857	KPBDQHPDQYMUTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120880
Clc1c(C(=O)c2c3C[C@@H](Cc3sc2NC(=O)CN)C(=O)OC)cccc1	SCHEMBL10435451,PC-id_15070229	392.857	KPBDQHPDQYMUTA-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-120881
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cccc1	PC-id_7521575	392.857	SFRFEZGOEPEIJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120882
NC(=O)c1c(NC(=O)COC(=O)Cc2ccccc2Cl)sc2c1CCC2	EMOLS-id_43784893,PC-id_8632101,ZINC22_7534427,MCULE-3681846039	392.857	AOSFLROILRUUFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120883
COCCS(=O)(=O)N1CCC(CC1)NC(=O)c1nn2CCOc2c1Cl	PC-id_91960019	392.858	YCSYLRHBDYVWLP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120884
CC(=O)c1ccc(Cl)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328218485,MCULE-6634708725	392.878	VNQOZQKUBDJDLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120885
CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)Cn1cc(Cl)cn1)C2	EMOLS-id_313735124,ZINC22_1565551665	392.883	JDPYBEWTKGDQHJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-120886
N#Cc1c(NC(=O)CC[N@H+](Cc2c(F)cccc2Cl)C)sc2c1CCC2	GD-id_ZINC22198759	392.898	WBTCDABYGCCSNV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-120887
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388498,MCULE-7556320591	392.9	JXIFFKXFKFOQIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120888
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6030156581,EMOLS-id_334386962	392.9	IROYZUGXSKWQEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120889
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390545,MCULE-7214366128	392.9	OUXCLZOJCYNVPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120890
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329298,MCULE-5463388520	392.9	JHEXONJVWPBNRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120891
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-5899793958,EMOLS-id_334330330	392.9	YPTYHOONVCGDJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120892
c1(NC(=O)CCCOc2ccccc2Cl)sc2c(CCC2)c1C(=O)NC	MCULE-9439841735,EMOLS-id_334329306	392.9	LKTKOPCRDBHLIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120893
c1(NC(=O)C(C)Oc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_19191640,MCULE-5699123963	392.9	HALYDYQDALCQIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120894
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-3584656496,EMOLS-id_334331864	392.9	ULCKFCHNVRBCDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120895
Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218599,EMOLS-id_3228718,PC-id_4560301,ZINC22_6826084,MCULE-7885476935	392.9	PJHXIWIQFOEPQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120896
Cc1c(Cl)ccc(OCCCC(=O)Nc2c(C(=O)N)c3c(CCC3)s2)c1	ZINC22_2657649,MCULE-5865324934,PC-id_2121402,CoCoCo_3218581,EMOLS-id_3230643	392.9	OOIJNLKZSWRPOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120897
Clc1ccc(C(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	MCULE-9429575260,PC-id_16389149	392.9	XGSRYDVGTTZDFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120898
Clc1cc(C(=O)/N=c/2sc3c(n2CC2OCCC2)CCC3)c(OC)cc1	SCHEMBL3386316,PC-id_24896960	392.9	NQCUIKPRKJYGEM-VZCXRCSSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120899
Clc1c(C(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	MCULE-3507305775,EMOLS-id_11845571,PC-id_16381701	392.9	UGTRLUUWCFZYFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120900
COC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2Cl)sc2c1CCC2	PC-id_40986734,ZINC22_57315213,CoCoCo_3592107	392.9	UGTRLUUWCFZYFP-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120901
COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2Cl)sc2c1CCC2	ZINC22_57315212,CoCoCo_3592108,PC-id_40986730	392.9	UGTRLUUWCFZYFP-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-120902
COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)sc2c1CCC2	CoCoCo_3592569,PC-id_41236841,ZINC22_57315488	392.9	XGSRYDVGTTZDFZ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-120903
COC(=O)c1c(NC(=O)CN[C@H](C)c2ccc(Cl)cc2)sc2c1CCC2	CoCoCo_3592570,PC-id_41236843,ZINC22_57315489	392.9	XGSRYDVGTTZDFZ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120904
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1Cl)F)(C)C	PC-id_111569385	392.901	QUUWZTREWJPHFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120905
c1(NC(=O)Cc2ccccc2Cl)c2CSCc2nn1CC(=O)NCCC	MCULE-3261292697,ZINC22_23138814,CoCoCo_5277519,PC-id_30862150,EMOLS-id_24913177	392.903	ZXSQARBVHSVUHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120906
c1(NC(=O)C(=O)NCc2ccc(cc2)Cl)c2CSCc2nn1C(C)(C)C	CoCoCo_5184711,EMOLS-id_5617906,MCULE-6887821042,ZINC22_5438245,PC-id_7685538	392.903	GQZUJDCZKOPZSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120907
c1(NC(=O)C(=O)NCc2ccccc2Cl)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617892,ZINC22_5438214,MCULE-9988890272,CoCoCo_5184703,PC-id_7685525	392.903	WLSMNWZOVOZEJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120908
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc1	PC-id_44052916	392.903	CXRNTMXJHZSVBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120909
O=C(NC1CCc2c1sc(c2)Cl)CC[C@@H](N(C)C)Cc1ccc(cc1)O	SCHEMBL21214557,PC-id_139362860	392.943	FTFWTPPRUAYNRP-LDCVWXEPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120910
C=CC[N@H+](Cc1ccc(s1)Cl)CC(=O)Nc1sc2c(c1C#N)CCC2	GD-id_ZINC08164300,PC-id_9298546	392.946	QUPILQLFTSMOAQ-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-120911
OC[C@@H]1[C@@H](C)n2c([C@@]1(O)C(F)(F)F)cc(c2Br)Br	PC-id_102046443	392.995	YDUOQMSQELAHRX-UDJQAZALSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120912
CCCCC(COc1nc2=C(C)[Te]C(=c2s1)C)CC	PC-id_140632688	393.014	QBRJVCQQJPRZNR-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-120913
CCCCC(COC1=Nc2c([Te]1)c(C)sc2C)CC	PC-id_140632695	393.014	IYGOPEWTLAWQBE-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-120914
C1CC2=C(C1)SC(=C2C(=O)C3=CC=CC=C3)NC(=O)C4=NC=C(C=C4)[N+](=O)[O-]	PC-id_154798636	393.078	NPKOCPNDPKJPJG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120915
C1CC2=C(C1)SC(=C2C(=O)C3=CC=NC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]	PC-id_154800535	393.078	RCWLEODIOZWIDE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-120916
Brc1c(OC)c(NC2CCc3sc(Cl)cc23)cc(Cl)c1	PC-id_81251602	393.126	OYVQMSOCQSXKJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120917
CC1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(Br)nc2O1	EMOLS-id_320369330	393.156	QCFDFCKHHJAUCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120918
Brc1cc(sc1Br)C(N)c1sc2c(CCC2)c1	PC-id_80532940	393.16	LANXDGGOYLGWFF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120919
Brc1sc(Br)cc1C(N)c1sc2c(CCC2)c1	PC-id_43464816	393.16	DIMBEASOVGKBLF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-120920
C1C2=C(CN1C(=O)NCC3=CC=CC=C3)NN=C2C(C4=CC=CC=C4F)C(=O)N	PC-id_153863796	393.16	VJIFESOTWMNEPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120921
C1C2=C(CN1C(=O)NCC3=CC=CC=C3)NN=C2C(C4=CC(=CC=C4)F)C(=O)N	PC-id_153863797	393.16	WRJXPNGUODAWTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120922
C1C2=C(CN1C(=O)NCC3=CC=CC=C3)NN=C2C(C4=CC=C(C=C4)F)C(=O)N	PC-id_153863798	393.16	PEAANJNPUVJBQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120923
Brc1/c(=C([O-])/c2ccccc2)/n2[n+](c1C(=O)c1ccccc1)ccc2	PC-id_21784635	393.233	SYDAUOMTKUXPRB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-120924
Brc1oc(cc1S(=O)(=O)Nc1sc2CCCc2n1)C(=O)O	PC-id_62830235	393.234	HSCGZZNEVPIBSI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-120925
Brc1cc(C(=O)Nc2n[nH]c3c2CN(NC(=O)NCC)C3)ccc1	SCHEMBL2921418,PC-id_68441577	393.238	CXZOXYCKRICXSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120926
Clc1ccc(OCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324847864	393.247	LNTAVGSUZIVGTE-QPEQYQDCSA-N	00000000110000110001000010000000000000000000000000000000	25-01-120927
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-2676140155	393.247	LNTAVGSUZIVGTE-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-120928
COC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)Br)C	PC-id_140904843	393.253	UMKCXUATVKVGRC-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120929
CCN(CC)C1=CC=C(C=C1)N=C2C(=NN3C2=NN=C3[C@H](C)N4CCCCC4)C	PC-id_147639469	393.264	GHIFUFDEMWDOCM-KRWDZBQOSA-N	00000011100010110001000010000000000000000000000000000000	25-01-120930
Clc1cc(Cl)cc(c1)C(=O)N1CCN(CC1)C(=O)c1nn2c(c1)CCC2	EMOLS-id_101204064	393.267	HZDKBLZDVWEGQV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120931
Clc1cc(/N=C/C(=Nn3c2nc(c3C)C)C(C)(C)C)cc(Cl)c1OC=O	PC-id_57553792,SCHEMBL13943056	393.267	BBYDOXHNQLFPAV-HMAPJEAMSA-N	00000011100000110001000010000000000000000000000000000000	25-01-120932
O=C(C1CCCN1C(=O)c1n[nH]c2c1CCC2)Nc1cc(Cl)cc(c1)Cl	EMOLS-id_98191420	393.267	MQEJMJDKNICVRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120933
O=C(C1CCN(C1=O)c1ccc(c(c1)Cl)Cl)Nc1n(C)nc2c1CCC2	EMOLS-id_98830132	393.267	FNYRIUKTDRAEAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120934
O=C(c1nn2c(c1)CCC2)N1CCN(CC1)C(=O)c1c(Cl)cccc1Cl	EMOLS-id_101207043	393.267	UAFOWNPEXFMTGC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120935
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2Br)OC)n1	MCULE-2462264022,EMOLS-id_330994430	393.275	IYLKWDHHXZTKNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120936
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(OC)ccc2Br)n1	MCULE-4329808147,EMOLS-id_330994174	393.275	FAUHODMWDIUGHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120937
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1Br)OC	MCULE-8519969519,EMOLS-id_330979257	393.275	IGGYPPHWIGHCLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120938
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(OC)ccc1Br	EMOLS-id_330979001,MCULE-8078543240	393.275	ZRSIDCVMVAMCGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120939
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1Br	EMOLS-id_331019940,MCULE-6294917202	393.275	RCJQWIMIIHXIJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120940
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_4216509	393.277	WXEUTBTXNAJRRZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120941
O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cc(Br)n2c1CCC2	ZINC22_2325785595	393.278	FRYLGTQGSNUBPD-NJZAAPMLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120942
O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cc(Br)n2c1CCC2	ZINC22_2325785596	393.278	FRYLGTQGSNUBPD-UXIGCNINSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120943
Brc1cnc(OCC2CCCN(Cc3nnc4CCCn34)C2)nc1	EMOLS-id_317456988,MCULE-6828672097	393.282	HIUVOPNISYZTEL-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-120944
Brc1cnc(OCC2CCN(Cc3nnc4CCCn34)CC2)nc1	MCULE-6127288221,ZINC22_1775995621,EMOLS-id_317456732	393.282	BSSLFPPNHGOVGS-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-120945
Brc1cnc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1	ZINC22_1775995747	393.282	HIUVOPNISYZTEL-GFCCVEGCSA-N	00000010100010100001000010000000000000000000000000000000	25-01-120946
Brc1cnc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1	ZINC22_1775995748	393.282	HIUVOPNISYZTEL-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-120947
Cc1cc(CN2CCn3c2c(C(=O)O)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	PC-id_145296954	393.284	YGOGASBILTWXTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120948
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18739965	393.284	MCRAZAZSLBGDFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120949
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740132	393.284	KTAJGESJXUCORR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120950
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C(F)(F)F	SCHEMBL18740287	393.284	YJQHIBDHUDFEJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120951
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_408629072	393.287	LBCMYCPOAYRPOA-AATRIKPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120952
FC(F)(F)c1cc(NC(=O)NCc2n3CCCc3nn2)cc(c1)C(F)(F)F	PC-id_60446071	393.287	VXXZJLVUZZUIRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120953
Cc1cc2c(n1CCN(C=O)c1cc(cc(c1)Br)F)CC(C2)(C)C	PC-id_134277462,SCHEMBL19892018	393.293	YQPWIIXMDGKFLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120954
Brc1cc(c(NC(=O)CNC(=O)c2sc3CCCc3c2)cc1)C	PC-id_26369671	393.298	RQZFZMSAIWOXQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120955
Brc1c(NC(=O)CN(C(=O)c2sc3CCCc3c2)C)cccc1	PC-id_9152558	393.298	XIKDOERGGZWWAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120956
c1(NC(=O)Cc2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330075,MCULE-1382722599	393.298	QIAAPHFCGVXBEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120957
NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1cc2c(s1)CCC2	PC-id_51125253,ZINC22_56095557,MCULE-8418429670,EMOLS-id_33360573	393.298	ROAXSORIZWGHBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120958
c1(NC(=O)CCn2c(C)c(c(C)n2)Br)sc2c(CCC2)c1C#N	EMOLS-id_15294458,MCULE-2566216823,PC-id_35525155,ZINC22_28228100,CoCoCo_6453797	393.301	AHBNAMQHQBOXRQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-120959
Cc1nnc2CC(CNC(=O)C3(CCCC3)c3ccc(Cl)c(Cl)c3)Cn12	EMOLS-id_337668054,MCULE-9750815737	393.31	UBHYFQUOSBXJDS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120960
Cc1nnc2n1C[C@@H](CNC(=O)C1(c3ccc(Cl)c(Cl)c3)CCCC1)C2	ZINC22_2100543527	393.31	UBHYFQUOSBXJDS-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120961
Cc1nnc2n1C[C@H](CNC(=O)C1(c3ccc(Cl)c(Cl)c3)CCCC1)C2	ZINC22_2100543528	393.31	UBHYFQUOSBXJDS-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-120962
Clc1cc(CN2CCC(CC2)NC(=O)c2n[nH]c3c2CCC3)cc(c1)Cl	EMOLS-id_99362461	393.31	ZABQYGJNNTUVOT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120963
O=C(c1n[nH]c2c1CCC2)NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl	EMOLS-id_98812702	393.31	UIOHQDIOXBXYTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120964
O=C(N1CCC(CC1)c1c(Cl)cccc1Cl)NC1CC(n2c1ncc2)C	EMOLS-id_101422869	393.31	HJJFIVRNNBYEHJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120965
Brc1ccc(SCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8707441	393.321	AZNRBIFKYDUTLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120966
Brc1c(SCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_24522460	393.321	AZFOWQMEZLDNLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-120967
O=c1nc(Nc2n(C)nc3c2CCC3)n(cc1F)Cc1cc(F)c(c(c1)F)F	PC-id_142332101	393.338	KVWDCGWAXLPNGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120968
OCCN(c1ccc(cc1)N=C1n2c(nnc2C(=C1C#N)C#N)C(=O)O)CCO	SCHEMBL14362322	393.356	AFEICRCOKZYTIS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-120969
OCCN(c1ccc(/N=C/n3c(nnc3C(=O)O)C(=C2C#N)C#N)cc1)CCO	PC-id_71153461	393.356	AFEICRCOKZYTIS-RCCKNPSSSA-N	00000011100000110001000010000000000000000000000000000000	25-01-120970
OCCN(c1ccc(/N=C/n3c(nnc3C(=O)O)C(=C2[N+]#[C-])[N+]#[C-])cc1)CCO	PC-id_58776991	393.356	VTYAKJFHLYIQKJ-RCCKNPSSSA-N	00000011100000110001000010000000000000000000000000000000	25-01-120971
s1c([N-]C(=c2n3[n+](nc2C)c([N+](=O)[O-])c(n3)C)[O-])nnc1CC(=O)OCC	PC-id_51506720	393.358	OOUTXOQSDNSCCK-UHFFFAOYSA-M	00000000100000000001000010000000000000000000000000000000	25-01-120972
c12CN(Cc1n(nc2C(=O)NC1CC1)C)C(=O)Nc1cccc(c1)C(F)(F)F	EMOLS-id_207862926,MCULE-4001786703	393.363	WSOZQWCXWVREQE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-120973
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	PC-id_68438878,SCHEMBL2913740	393.371	ZXHOESNSLUQWTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120974
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	PC-id_68440961,SCHEMBL2919482	393.371	JCLURDVJVWDTDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120975
Fc1c(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)NC(=O)c2ccccc2)cccc1	SCHEMBL2914708,PC-id_68439329	393.371	RVQCPHQGWDHUIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120976
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1oc([N+](=O)[O-])cc1)C)C(=O)N	PC-id_37289382	393.371	OWGCGIYVACLIQM-SSDOTTSWSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120977
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1oc([N+](=O)[O-])cc1)C)C(=O)N	PC-id_37289383	393.371	OWGCGIYVACLIQM-ZETCQYMHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120978
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1oc([N+](=O)[O-])cc1)C)C(=O)N	PC-id_74656463	393.371	OWGCGIYVACLIQM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-120979
Fc1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N(CCO)C)(C)C)ccc(F)c1	PC-id_10363160	393.388	BQJNSYDFKCCZNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120980
CNC(=O)c1nccc(c1)Oc1cc(C)ccc1NC(=O)c1nn2c(c1)OCC2	MCULE-5533052147,EMOLS-id_316151573	393.396	CIKNPTTZBPPJJR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120981
[nH]1nc(c2c1CN(C2)C(=O)c1ccccn1)NC(=O)c1cc(cc(c1)OC)OC	CHEMBL1170007,PC-id_49798184	393.396	UQJSASJZVAAIOG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-120982
FC(F)(F)c1cc(CC2(n3c(N(CC4CCOCC4)C2=O)ncc3)C)ccc1	PC-id_74221897	393.403	LRALRMVYRPTABE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-120983
O=C(c1cnn2c1CCC2)NCC1(CCOCC1)c1cccc(c1)C(F)(F)F	EMOLS-id_318158806	393.403	XIKIIVJNBAFGDG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120984
O=C(c1n[nH]c2c1CCC2)NCC1(CCOCC1)c1cccc(c1)C(F)(F)F	EMOLS-id_98495078	393.403	AVGABGZPHHRSOW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120985
CN1CCN(c2ccc(NC(=O)c3cnn4c3CCC4)c(C(F)(F)F)c2)CC1	MCULE-8813730032,ZINC22_579795317,EMOLS-id_316149550	393.406	YXUJPAVKOOLHRU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-120986
FC(F)(F)c1ccccc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324830973	393.406	GOWIOJVPSJLESV-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-120987
FC(F)(F)c1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324830461	393.406	PJJFUNFFUOWQOR-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-120988
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)Cc1cccs1	MCULE-3402275260	393.406	PJJFUNFFUOWQOR-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-120989
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)Cc1cccs1	MCULE-5276068179	393.406	GOWIOJVPSJLESV-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-120990
O=C(N)c1c(N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)n(nc1)c1ncccn1	PC-id_58113664	393.406	ZSMYHQRRQLRTFI-KSEXSDGBSA-N	00000011100000100001100010000000000000000000000000000000	25-01-120991
O=C(N)c1c(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)n(nc1)c1ncccn1	PC-id_70796568	393.406	ZSMYHQRRQLRTFI-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-120992
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C#C)C(=O)Nc1cc(ccc1)F	PC-id_134285247,SCHEMBL19900962	393.411	XDLVLSYVZBRROH-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-120993
C1Cc2nnc(n2C1C(=O)NCc1ccc(cc1)F)CNC(=O)c1ccccc1	PC-id_134788087	393.414	MQWSFGXRXWEFCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120994
Fc1cccc(c1)CC(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL2914127,PC-id_68439082	393.414	XWZILRXFNUDXMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120995
Fc1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NCc2ccccc2)cc1	PC-id_68441931,SCHEMBL2922322	393.414	JQDHLKGORQIDKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120996
Fc1c(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NCc2ccccc2)cccc1	SCHEMBL2922672,PC-id_68442085	393.414	NEMHZHJGFQIFFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120997
Fc1c(CC(=O)Nn2ncc3c2CN(C3)C(=O)NCc2ccccc2)cccc1	PC-id_70007842,SCHEMBL7159567	393.414	UIFRVXFYFYQFFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-120998
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)NC(=O)OCC	PC-id_7521558	393.414	NWSVFFGFJGKPTP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-120999
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(C(C)C)C(=O)C1=O)C(=O)OC	PC-id_41572511	393.414	NIYOIAWLGQKBGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121000
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(CC)C(=O)C1=O)C(=O)OCC	PC-id_7823941	393.414	ADZKLQIVICHULH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121001
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1=NNC(=O)CC1)C(=O)OCC	PC-id_3570058	393.414	BOOPOLRUFKTPOG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-121002
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1sc2c(c1C(=O)c1ccncc1)CCC2	EMOLS-id_320341060,MCULE-8861825814,PC-id_145894449	393.416	DRIQXZQQPHMWJQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121003
O=C(Nc1sc2c(c1C(=O)c1ccncc1)CCC2)c1cccc([N+](=O)[O-])c1	PC-id_145894455,EMOLS-id_320342340,ZINC22_187316337,MCULE-9451674078	393.416	LMUFUINOWNFOCX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121004
O1C(CN2CCC(N3CCN(CC3)C(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481311,SCHEMBL5542253	393.418	UOLWXAQVWHLKEI-UHFFFAOYSA-M	00000010100010000001100010000000000000000000000000000000	25-01-121005
O1[C@@](CN2CCC(N3CCN(CC3)C(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481312,SCHEMBL5542261	393.418	UOLWXAQVWHLKEI-KRWDZBQOSA-M	00000010100010000001100010000000000000000000000000000000	25-01-121006
O1C(CN2CCN(C3CCN(CC3)C(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479857,SCHEMBL5537579	393.418	QDWBVENRZQAZKL-UHFFFAOYSA-M	00000010100010000001100010000000000000000000000000000000	25-01-121007
O1[C@@](CN2CCN(C3CCN(CC3)C(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5537581,PC-id_69479859	393.418	QDWBVENRZQAZKL-KRWDZBQOSA-M	00000010100010000001100010000000000000000000000000000000	25-01-121008
c1(N(=O)=O)nn(c(C(=O)Nc2sc3c(CCC3)c2C#N)c1)Cc1ccccc1	CoCoCo_1958550,ZINC22_672973,EMOLS-id_4071474,TIMTEC46981,PC-id_1012136,MCULE-7626636885	393.419	ALDLSMBYBVUMIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121009
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(n2ncnc2)cc1)C#N	PC-id_8378732	393.419	KVMDYOBATFCFRB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121010
s1c2c(CCC2)c(c1Nc1nc(NCCCO)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127525	393.421	LNHVOVKTBOZMKX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121011
CCOc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324835065	393.459	GBUBRSIDCIBOSW-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121090
s1c2c(CCC2)c(c1Nc1nc(NC[C@@H](O)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127545	393.421	CGXRBSLPEYSSIL-LURJTMIESA-N	00000010100000100001000010000000000000000000000000000000	25-01-121012
s1c2c(CCC2)c(c1Nc1nc(NC[C@H](O)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127546	393.421	CGXRBSLPEYSSIL-ZCFIWIBFSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121013
s1c2c(CCC2)c(c1Nc1nc(NCCOC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127492	393.421	OPRFPRPHCGAGGL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121014
s1c2c(CCC2)c(c1Nc1nc(NCC(O)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787950	393.421	CGXRBSLPEYSSIL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121015
N#Cc1c(NC(=O)Cn2nnc(c3ccc(C(=O)N)cc3)n2)sc2c1CCC2	ZINC22_8312380,PC-id_9437754,MCULE-7205654340,CoCoCo_4134103,EMOLS-id_11765937	393.422	VWMMJBKXGVOOPJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121016
FC(F)(F)c1nn(c2c1CCC2)CC(=O)N1CC[NH+](CC1)Cc1ccccc1	PC-id_4444730	393.426	XNSTXXKEBGIYPA-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-121017
s1c2CCCc2c(c1NC(=O)CN(Cc1ccc(cc1)C(F)(F)F)C)C#N	PC-id_8111114	393.426	OKCXEUOYJJRHFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121018
Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=Nc1onc2c1CCC2)O	MCULE-7653531992,EMOLS-id_12336705,Chemmine_45375,PC-id_16828681,CoCoCo_5123872	393.433	CEISLIAHWBITRU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121019
CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O	EMOLS-id_45965905,ZINC22_16750622	393.434	FKFQCTCJNAZZED-KTYKIUSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121020
CCOc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O	ZINC22_39835501	393.434	FKFQCTCJNAZZED-HEMGCLFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121021
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1	ZINC22_27023209,EMOLS-id_45970872	393.434	GKODBSCUZNHMAR-LKZNJTCTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121022
n12nc(nc1sc(=Cc1ccccc1OCC)c2=O)C=Cc1ccc(cc1)F	MCULE-4339757839	393.434	FKFQCTCJNAZZED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121023
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)C=Cc1ccc(cc1)F	MCULE-9696798455	393.434	GKODBSCUZNHMAR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121024
CC(=O)Oc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109492	393.436	IIUMHICMVAZLGK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121025
COC(=O)c1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109423	393.436	SCAWMWAILREDHP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121026
S(C1=C(N2C(C(C2=O)C(OC(=O)C)C)C1C)C(=O)O)C1C[n+]2n(C1)cnc2	PC-id_85050519	393.437	XOBGWSQXHJHNKP-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-121027
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](OC(=O)C)C)[C@H]1C)C(=O)O)C1C[n+]2n(C1)cnc2	PC-id_9843482	393.437	XOBGWSQXHJHNKP-NRMKKVEVSA-O	00001011100000000001001010000000000000000000000000000000	25-01-121028
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)n(C)ccc(=O)c1OCc1ccccc1	MCULE-1552480625,EMOLS-id_337677523	393.439	JMYPYNJQWRSBHN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-121029
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cc3c(C)noc3C)C2)n1	EMOLS-id_316333360,MCULE-9890893316	393.439	HATWKHDGBCKZAE-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121030
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)Cc3c(C)noc3C)C2)n1	MCULE-7928795554	393.439	HATWKHDGBCKZAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121031
Cc1nnc2n1C[C@H](CNC(=O)c1c(OCc3ccccc3)c(=O)ccn1C)C2	ZINC22_2100542883	393.439	JMYPYNJQWRSBHN-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-121032
Cc1nnc2n1C[C@@H](CNC(=O)c1c(OCc3ccccc3)c(=O)ccn1C)C2	ZINC22_2100542889	393.439	JMYPYNJQWRSBHN-MRXNPFEDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-121033
N#Cc1c(NC(=O)CN2CCOCC2)c(n2c1CCC2)C(=O)Nc1ccccc1	PC-id_393854,NSC696781,CoCoCo_5763412	393.439	AZBUGRNCQZAQPQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121034
c1(cnn(CC)c1C)C(=O)NC1Cc2n(ncc2C(=O)NCc2cccnc2)C1	MCULE-3608921845	393.442	GXSQITKKDJYMNO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121035
c1(cnn(CC)c1C)C(=O)N[C@H]1Cc2n(ncc2C(=O)NCc2cccnc2)C1	MCULE-5320734433,EMOLS-id_316252661	393.442	GXSQITKKDJYMNO-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121036
c1(NC(=O)Cn2cc(cn2)c2nc(C)cc(C)c2C(=O)N)n(C)nc2CCCc12	ZINC22_200495173,MCULE-2525484504,EMOLS-id_232710745,PC-id_56852714	393.442	MWTXIOFCARXCPD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-121037
CCC[C@@H](C(=O)Nc1sc2c(n1)CCC2)NC(=O)Cc1cc(F)cc(c1)F	SCHEMBL8258661,PC-id_60106788	393.451	DAIBDTNSMANRKR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121038
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c(F)cc(F)cc1)C)C)C(=O)N	PC-id_24664456	393.451	QSEQUCCRLVICIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121039
s1c2CCCc2nc1NC(=O)C(NC(=O)Cc1cc(F)cc(F)c1)CCC	PC-id_10000661	393.451	DAIBDTNSMANRKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121040
COC(=O)c1c(NC(=O)/C(=C/c2ccco2)/c2ccccc2)sc2c1CCC2	ZINC22_408563735	393.456	OWXKMQXUDMUSLO-GHRIWEEISA-N	00000010101000110000000010000000000000000000000000000000	25-01-121041
FC1(CCN(C2CCOCC2)CC1)C(=O)N1C(c2[nH]nc(c2C1)C(=O)N)(C)C	PC-id_67491527,SCHEMBL2671437	393.456	PJSIRIMPAVWCAL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121042
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccccc1Oc1ccccc1	CoCoCo_2840945,ZINC22_5308621,PC-id_7623831,EMOLS-id_43696770,MCULE-9307909823	393.456	HESQCUSTSJVMHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121043
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)CS(=O)c1ccccc1	PC-id_139746925	393.456	KARWQNRMNRNOTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121044
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)CS(=O)c1ccccc1	PC-id_139746963	393.456	VJUMKQYQKPXEDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121045
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_7238979	393.456	SKYKSLSMIQWQCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121046
s1c2c(CCC2)c(c1NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)OC	PC-id_5179415	393.456	UKEOSGHZMUOHEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121047
s1c2c(CCC2)c(c1NC(=O)c1cc(Oc2ccccc2)ccc1)C(=O)OC	PC-id_3289392	393.456	HZFQLUYYOFDTOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121048
c1(NC(=O)c2cccc(OC)c2OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_4982167,MCULE-9376167017,EMOLS-id_5438337,PC-id_4120129,ZINC22_4088605	393.457	WHINSLYWTZMMEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121049
c1(NC(=O)CN2CCN(C(=O)C2=O)CC)sc2c(CCC2)c1C(=O)OCC	MCULE-1168290658,ZINC22_4326403,EMOLS-id_5523383,PC-id_7190229,CoCoCo_5058505	393.457	NRMIAVASMWTRAS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121050
c1(NC(=O)COc2ccc(cc2)OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_12136944,CoCoCo_5065644,PC-id_7484584,MCULE-4660228605,ZINC22_5077897,ChEMBL-DNDi_CHEMBL1883686	393.457	LVQJVGYAOPTOIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121051
CC(C)(C)OC(=O)N/C(=NC(=O)OC(C)(C)C)/N=C/1C=Cc2c1cc(s2)O	PC-id_135446148	393.457	RSLZJUFEHUUQDV-YBFXNURJSA-N	00000011100000000000000010000000000000000000000000000000	25-01-121052
CC(C)(C)OC(=O)N/C(=N/C(=O)OC(C)(C)C)/N=C
/C=Cc2c1cc(s2)O	PC-id_135509443	393.457	RSLZJUFEHUUQDV-ODLFYWEKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-121053
CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N=C1C=Cc2c1cc(s2)O	PC-id_136693608	393.457	RSLZJUFEHUUQDV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-121054
CCOC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(C)CC)sc2c1CCC2	EMOLS-id_3581455,MCULE-2846826578,PC-id_16274642	393.457	JFOXPWZFLXLGGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121055
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(CC)C2=O)sc2c1CCC2	CoCoCo_2789673,ZINC22_7782802,PC-id_8897273	393.457	JFOXPWZFLXLGGO-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121056
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(CC)C2=O)sc2c1CCC2	ZINC22_7782805,PC-id_8897278,CoCoCo_2789674	393.457	JFOXPWZFLXLGGO-SFHVURJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121057
COc1cc(ccc1OC)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0541-0063,CoCoCo_4982166,PC-id_4082835,ChEMBL-DNDi_CHEMBL1880854	393.457	WGJPUDLYBUCKOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121058
NC(=O)c1c(NC(=O)COC(=O)CN2CCCCCC2=O)sc2c1CCC2	CoCoCo_2894799,MCULE-6581373564,ZINC22_5539327,EMOLS-id_3424119,PC-id_4791077	393.457	DYDSQKUJJNGAJZ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-121059
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(c(cc(c1)C(=O)[O-])C)C	PC-id_25703786	393.457	YULJAHFLYBWRKH-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-121060
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)N	PC-id_45663343	393.457	BAPIFFKNIWRRRS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121061
s1c2CCCc2c(c1NC(=O)COC(=O)CCNC(=O)OC(C)(C)C)C#N	PC-id_8734381	393.457	MTEUMRVWDDLURG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121062
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)c2cc(OC)cc(OC)c2)C1	PC-id_5155773	393.457	RUGIAOKEBWSBKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121063
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)COc2cc(OC)ccc2)C1	PC-id_7484580	393.457	YWJBZLDLJRWTFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121064
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccc(cc1)OC	PC-id_1350563,EMOLS-id_1089948,BAS-00486944,MS2_ST015548,CoCoCo_81800,ZINC22_1188443,MCULE-2404725314	393.459	RWLPGIFZHJJMIK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121065
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1OC	ZINC22_1188689,PC-id_1350747,MCULE-7411591853,EMOLS-id_1231087,CoCoCo_81811	393.459	WJHYYUZZKMDELW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121066
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1cccc(OC)c1	EMOLS-id_2009339,ZINC22_1053425,TIMTEC184445,ChEMBL-DNDi_CHEMBL7944431,PD061248,PC-id_1245087,ChEMBL-DNDi_CHEMBLMMV228911,MCULE-6756531627,CoCoCo_540601	393.459	GZOINQXUFGBYFY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121067
c1(c2CCCc2sc1NC(=O)c1ccncc1)C(=O)Nc1ccc(cc1)OC	BAS-00486945,ZINC22_3100279,CoCoCo_81801,PC-id_3109202,MCULE-8740382213,EMOLS-id_1231067	393.459	DLEVLKZXGXJODP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121068
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-6952462964,PC-id_73468648	393.459	AAUQAFYRRCVOCE-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-121069
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)c1	EMOLS-id_324882945	393.459	YMRVFCFRTJXNCO-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121070
Cc1ccc(O)c(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324851450	393.459	RFWRSQGHGWNSBU-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-121071
Cc1ccc(O)c(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1	EMOLS-id_324870668	393.459	RWMVIIXXMKMBDJ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121072
Cc1ccc(O)c(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1	EMOLS-id_324876814	393.459	XFHRFDCLUOBZKF-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121073
C(=Cc1ccc(cc1)OCCOC)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3211599612	393.459	YEEBDLYUCRTGIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121074
CCc1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1	EMOLS-id_324867084	393.459	MHCGIDNOIAOCBW-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121075
CCc1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1	EMOLS-id_324873230	393.459	CYDQZHZCKWSWTK-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121076
CCc1cccc(OCc2nc3s/c(=Cc4ccccc4OC)/c(=O)n3n2)c1	EMOLS-id_324887048	393.459	MVOCZSHTZRZIPC-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121077
CCc1cccc(OCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)c1	EMOLS-id_324890124	393.459	YRJACEYQGWJPFD-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121078
CCc1cccc(OCc2nc3s/c(=Cc4cccc(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324888072	393.459	VFJOZQAQPQEWQB-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121079
CCc1cccc(OCc2nc3s/c(=Cc4ccc(OC)cc4)/c(=O)n3n2)c1	EMOLS-id_324889606	393.459	IGGGNTORRZLPQL-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121080
CCc1ccc(OCc2nc3s/c(=Cc4ccccc4OC)/c(=O)n3n2)cc1	EMOLS-id_324886030	393.459	RSLSALOIDGBQIB-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121081
CCc1ccc(OCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324889091	393.459	VESRNJMWWKEZEY-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121082
CCc1ccc(OCc2nc3s/c(=Cc4cccc(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324882959	393.459	LFDBTJUALLRZCI-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121083
CCc1ccc(OCc2nc3s/c(=Cc4ccc(OC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324884493	393.459	SRWHSJBMABQFSF-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121084
CCc1nc2s/c(=Cc3ccc(OCc4ccccc4)c(OC)c3)/c(=O)n2n1	EMOLS-id_324844266	393.459	ZYEFFBMFLNBOES-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121085
CCCOc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324843765	393.459	DCTMLVWOBVUPML-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-121086
CC(C)Oc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324844789	393.459	MUMYLWFDPYNZEY-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121087
CCOc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)ccc1OC	EMOLS-id_324836088	393.459	VVFPCVGYSVTPJM-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121088
CCOc1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324837623	393.459	SRGGPHGTOQBTCC-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-121089
CCOc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324849403	393.459	OBFMWDIWCYRPCR-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121091
CCOc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324867588	393.459	BLXOTXAAYVLRIT-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121092
CCOc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1O	EMOLS-id_324837626	393.459	REKQDMWYIFQQSU-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121093
CCOc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324851952	393.459	UDTKHHDXMVTOKP-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121094
CCOc1cccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324866057	393.459	PNELEIXTNWHAGD-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121095
CCOc1ccc(OCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)cc1	EMOLS-id_324880386	393.459	LRJQJVZLTOESJZ-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121096
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324879362	393.459	BCECKOJGPSUVJT-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121097
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)cc1	EMOLS-id_324881920	393.459	QMHYDKVXGMIOJF-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121098
COc1cc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)ccc1O	EMOLS-id_324904972	393.459	IVRZJLCYJBIPTG-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121099
COc1ccccc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324852469	393.459	LYQZNCKYCXYBEG-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121100
COc1ccccc1/C=c/1sc2nc(COc3c(C)cccc3C)nn2c1=O	EMOLS-id_324871687	393.459	CFRJRGVWLXINJO-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121101
COc1ccccc1/C=c/1sc2nc(COc3cccc(C)c3C)nn2c1=O	EMOLS-id_324877833	393.459	QMZROFNLFCLOIE-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121102
COc1ccccc1/C=c/1sc2nc(COc3cc(C)ccc3C)nn2c1=O	EMOLS-id_324879884	393.459	NBNKBAIZXUQTHI-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121103
COc1ccc(Cc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)cc1OC	EMOLS-id_324923400	393.459	UYKZMROPGYPGQB-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121104
COc1ccc(Cc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324924934	393.459	UWNWAVLHGARKKK-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121105
COc1ccc(Cc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324926471	393.459	IFOPQWTWPWRONS-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121106
COc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324840182	393.459	VELBXBBIQDGMQN-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-121107
COc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324850932	393.459	DUCIUHGUSLIIDU-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121108
COc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324870150	393.459	LEJOECVPKNBJMM-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121109
COc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324876296	393.459	KYUBXXXVVMEGEI-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121110
COc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324878347	393.459	SLMKCVKOPGLRLM-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121111
COc1ccc(CCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1OC	EMOLS-id_324894215	393.459	PTVQKLXLVUOYBX-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-121112
COc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1OC	EMOLS-id_324839674	393.459	IEMVNQUHQZAPND-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121113
COc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324853493	393.459	CXFJRGXLBSRGKQ-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121114
COc1cccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1	EMOLS-id_324872711	393.459	GMMJDCBSFHHMPJ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121115
COc1cccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1	EMOLS-id_324874762	393.459	DEIHQZFTKNNEBJ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121116
COc1cccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)c1	EMOLS-id_324880908	393.459	DLUCUUOSSHWKBB-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121117
COc1cccc(CNC(=O)c2cc3c(s2)CCN3C(=O)c2cccnc2)c1	PC-id_97524467,ZINC22_96264528	393.459	SBSRGPHUCBKQHB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121118
COc1ccc(OCCCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)cc1	EMOLS-id_324886543	393.459	CTHKKFFVGGPEER-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121119
COc1ccc(OC)c(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1	EMOLS-id_324840186	393.459	KOYPOMWRKFCFPQ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-121120
COCCOc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_328140543	393.459	YEEBDLYUCRTGIA-RVDMUPIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121121
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-2507141133	393.459	PTVQKLXLVUOYBX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121122
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-9820501733	393.459	CTHKKFFVGGPEER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121123
n12nc(nc1sc(=Cc1ccccc1C)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4060918821	393.459	UYKZMROPGYPGQB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121124
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5278171686	393.459	UWNWAVLHGARKKK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121125
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)COc1ccc(cc1)OCC	MCULE-1869172378	393.459	QMHYDKVXGMIOJF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121126
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1ccc(cc1)OCC	MCULE-9290989416	393.459	LRJQJVZLTOESJZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121127
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)COc1ccccc1OC	MCULE-3860816349	393.459	MHCGIDNOIAOCBW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121128
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)CCCOc1ccccc1	MCULE-5142486806	393.459	RFWRSQGHGWNSBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121129
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCCOc1ccccc1	MCULE-9681533485	393.459	LYQZNCKYCXYBEG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121130
Ic1sc(c2c1N=S=N2)I	SCHEMBL18428216	393.995	MLPKTIBCUMEAPW-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-121450
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1ccc(cc1)CC	MCULE-7339860874	393.459	RSLSALOIDGBQIB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121131
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1ccc(cc1)CC	MCULE-9047371824	393.459	VESRNJMWWKEZEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121132
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1cccc(C)c1C	MCULE-1079329104	393.459	XFHRFDCLUOBZKF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121133
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1cc(C)ccc1C	MCULE-4262700667	393.459	NBNKBAIZXUQTHI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121134
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1cccc(C)c1C	MCULE-4549496883	393.459	QMZROFNLFCLOIE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121135
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1cc(C)ccc1C	MCULE-4588264891	393.459	YMRVFCFRTJXNCO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121136
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)COc1c(C)cccc1C	MCULE-7717239298	393.459	LEJOECVPKNBJMM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121137
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1c(C)cccc1C	MCULE-8377933032	393.459	RWMVIIXXMKMBDJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121138
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)COc1cccc(C)c1C	MCULE-8846557895	393.459	KYUBXXXVVMEGEI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121139
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1c(C)cccc1C	MCULE-8924139274	393.459	CFRJRGVWLXINJO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121140
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1cccc(CC)c1	MCULE-4245528083	393.459	YRJACEYQGWJPFD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121141
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1cccc(CC)c1	MCULE-9151456595	393.459	MVOCZSHTZRZIPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121142
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)CCOc1ccccc1	MCULE-3235291627	393.459	OBFMWDIWCYRPCR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121143
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)COc1ccc(cc1)C	MCULE-2104914035	393.459	BLXOTXAAYVLRIT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121144
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CCc1ccccc1	MCULE-2240367647	393.459	KOYPOMWRKFCFPQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121145
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-3851595785	393.459	IFOPQWTWPWRONS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121146
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1ccc(cc1)OCC	MCULE-1157608062	393.459	BCECKOJGPSUVJT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121147
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)COc1cccc(OC)c1	MCULE-8321294177	393.459	CYDQZHZCKWSWTK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121148
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCCOc1ccccc1	MCULE-1857224772	393.459	CXFJRGXLBSRGKQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121149
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1ccc(cc1)CC	MCULE-5253207574	393.459	LFDBTJUALLRZCI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121150
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1cccc(C)c1C	MCULE-1953183675	393.459	DEIHQZFTKNNEBJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121151
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1c(C)cccc1C	MCULE-5152797578	393.459	GMMJDCBSFHHMPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121152
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1cc(C)ccc1C	MCULE-6940098938	393.459	DLUCUUOSSHWKBB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121153
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1cccc(CC)c1	MCULE-8700340718	393.459	VFJOZQAQPQEWQB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121154
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)CC	MCULE-1935744212	393.459	ZYEFFBMFLNBOES-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121155
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCc1ccccc1	MCULE-2545897910	393.459	IEMVNQUHQZAPND-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121156
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)Cc1ccccc1	MCULE-9178160297	393.459	GBUBRSIDCIBOSW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121157
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCOc1ccccc1	MCULE-1368124709	393.459	UDTKHHDXMVTOKP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121158
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1ccc(cc1)C	MCULE-4759087483	393.459	PNELEIXTNWHAGD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121159
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCc1ccccc1	MCULE-7719953271	393.459	REKQDMWYIFQQSU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121160
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC)c2=O)Cc1ccccc1	MCULE-3761625278	393.459	VVFPCVGYSVTPJM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121161
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1ccccc1	MCULE-2321127367	393.459	DCTMLVWOBVUPML-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121162
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1ccccc1	MCULE-9208282842	393.459	MUMYLWFDPYNZEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121163
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)CCCOc1ccccc1	MCULE-8670564262	393.459	DUCIUHGUSLIIDU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121164
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)COc1ccc(cc1)CC	MCULE-6814596008	393.459	SRWHSJBMABQFSF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121165
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)COc1cc(C)ccc1C	MCULE-2908777111	393.459	SLMKCVKOPGLRLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121166
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)COc1cccc(CC)c1	MCULE-6804311792	393.459	IGGGNTORRZLPQL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121167
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CCc1ccccc1	MCULE-5670470401	393.459	VELBXBBIQDGMQN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121168
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CCc1ccc(cc1)C	MCULE-8455163951	393.459	IVRZJLCYJBIPTG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121169
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CCc1ccccc1	MCULE-1246484649	393.459	SRGGPHGTOQBTCC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121170
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OCc2cccnc2)cc1	PC-id_39300525	393.459	KZEZVQXLLQLCBC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121171
s1c2c(CCC2)c(c1NC(=O)/C=C/c1occc1)C(=O)NCc1cccnc1	PC-id_18884041	393.459	AAUQAFYRRCVOCE-CMDGGOBGSA-N	00000010101000101000000010000000000000000000000000000000	25-01-121172
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1	PC-id_16947093	393.459	HAUBMHHCDGCEPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121173
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(OC)ccc1	PC-id_16947092	393.459	FBJJETZXGZHXKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121174
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(OC)cccc1	PC-id_16947091	393.459	LADIIVQTPOMLBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121175
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccccc1	PC-id_16947870	393.459	ZKRFJSOUXANOBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121176
Cc1noc(C)c1S(=O)(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1n[nH]c2CCCc12	MCULE-1976723653,PC-id_146039474,EMOLS-id_324134764,ZINC22_1857681037	393.461	VPGOCVQMWPLSNG-NWDGAFQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121177
s1c2c(CCC2)c(c1NC(=O)CSc1nc([O-])c(nn1)C)C(=O)OCC	PC-id_27833224	393.461	FZCGHOPQGIPSSR-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-121178
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)/C=C/c1cccs1	PC-id_68440765,SCHEMBL2918937	393.462	XBAMUXLFLJFAJE-CMDGGOBGSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121179
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)C=Cc1cccs1	SCHEMBL2918943,PC-id_68440767	393.462	XBAMUXLFLJFAJE-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121180
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)/C=C/c1cscc1	PC-id_68440909,SCHEMBL2919340	393.462	NVPFVLHTVWGDAE-VOTSOKGWSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121181
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)C=Cc1cscc1	PC-id_68440911,SCHEMBL2919344	393.462	NVPFVLHTVWGDAE-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121182
c1(NC(=O)CNc2ccc(c(C)c2)n2c(C)nnn2)sc2c(CCC2)c1C#N	MCULE-3256557601,EMOLS-id_320679743	393.465	QXAVUGVKJICLNX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121183
c1(NC(=O)c2cccc(c2)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5570828,MCULE-7515720211,PC-id_7267100,ZINC22_4517885,CoCoCo_5142428	393.477	QMAURHXAOZUMGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121184
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	MCULE-2930856148,EMOLS-id_5571128,PC-id_7267190,ZINC22_4518025,CoCoCo_5142623	393.477	MCKXXKCGMZHDOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121185
c1(NC(=O)c2ccccc2S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_4517746,PC-id_7267022,CoCoCo_5142222,MCULE-4200285867,EMOLS-id_5570536	393.477	IVKTZLPGLYLGHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121186
c1(NC(=O)CS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-7591034961,ZINC22_5189773,EMOLS-id_5565558,PC-id_7544466,CoCoCo_5138355	393.477	CTBYBFRWWPNQHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121187
CC(C)(C)c1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324837116	393.477	MCLXJIBOOOVDGX-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121188
CCC(N1Cc2c(S1(=O)=O)cc(s2)/C=C/COc1ccccc1)C(=O)O	PC-id_57791505,SCHEMBL8028391	393.477	OXVGMXYHAYEOFC-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121189
CCC(N1Cc2c(S1(=O)=O)sc(c2)/C=C/c1ccc(cc1)OC)C(=O)O	PC-id_57791518,SCHEMBL8029171	393.477	GMUFRWAOVIVJKF-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121190
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)Cc1ccc(F)cc1	MCULE-6469022788	393.477	MCLXJIBOOOVDGX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121191
s1c2CCCc2cc1C(=O)OC(C(=O)c1ccc(NS(=O)(=O)C)cc1)C	PC-id_46805039	393.477	XUMXGJNOSDULPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121192
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(N(S(=O)(=O)C)C)cc1	PC-id_7594762	393.477	GXSCUIAQXJUCPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121193
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OC)C)C	PC-id_7623661	393.477	YDZXGIJEBWAZEZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121194
s1c2CCCc2cc1C(=O)O[C@H](C(=O)c1ccc(NS(=O)(=O)C)cc1)C	PC-id_8128487	393.477	XUMXGJNOSDULPP-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-121195
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)c1ccc(NS(=O)(=O)C)cc1)C	PC-id_8128488	393.477	XUMXGJNOSDULPP-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121196
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)OC	PC-id_7579466	393.477	XHSDNVQFVZFWNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121197
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C(=O)OC	PC-id_7579079	393.477	MCQSYSGQIFUKEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121198
s1c2c(CCC2)c(c1NC(=O)c1c(S(=O)(=O)CC)cccc1)C(=O)OC	PC-id_7578668	393.477	VBKSZSGFFFQQIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121199
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C)cc1)C(=O)OC	PC-id_41139606	393.477	CNVZNKZZBCMQRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121200
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)c1ccccc1)C(=O)OC	PC-id_7202583	393.477	SEIKZBLKBJQQJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121201
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(cc1)C)C(=O)OCC	PC-id_4312680	393.477	TYMUFLWFXIVLQD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121202
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sccc1C)C(=O)OCC	PC-id_5027549	393.477	JQSVBRIXXADDJZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121203
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccsc1)C(=O)OCC	PC-id_4430759	393.477	LJKHBMBHZIOFPV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121204
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1sccc1)C(=O)OCC	PC-id_7798786	393.477	DDWCRDKLTCKQCP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121205
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(cc1)C)C(=O)OC	PC-id_7543801	393.477	ZJSIIPKVTDGLSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121206
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C(=O)OC	PC-id_41582033	393.477	GBQLZYXJVWFMQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121207
S1(=O)(=O)N(Cc2c1sc(c2)C=Cc1ccc(OC)cc1)C(CC)C(=O)O	PC-id_76606577	393.477	GMUFRWAOVIVJKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121208
S1(=O)(=O)N(Cc2sc(cc12)C=CCOc1ccccc1)C(CC)C(=O)O	PC-id_76606573	393.477	OXVGMXYHAYEOFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121209
CCOc1ccc(cc1)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109400	393.479	XIRRRWPXJUBCAW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121210
CC(Oc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109347	393.479	DKYMRJLAEJEPKM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121211
COc1ccc(cc1)CCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109430	393.479	NNBFQKYBEMEIRV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121212
COc1ccc(cc1C)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109559	393.479	BKVYIVPJQCZWFT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121213
COc1cc(CCN[C@H]2CCn3ccnc23)cc(OC)c1OCc1ccccc1	ZINC22_621771828	393.479	OCUPQOYZYNFPIQ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-121214
COc1cc(CCN[C@@H]2CCn3ccnc23)cc(OC)c1OCc1ccccc1	ZINC22_621771829	393.479	OCUPQOYZYNFPIQ-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121215
O=C(CC1CC1)c1cc(NC(=O)c2[nH]c3CN(C(=O)c3c2C)CCC)c(cc1)C	PC-id_58328222	393.479	GHEXNSBYJKWZBL-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-121216
O(C(=O)n1c2CCCc2cc1/C=C
/N=C(C=C1OC)c1n(ccc1)C)C(C)(C)C	PC-id_59083765	393.479	VZQBPAHYLKLOGY-QGOAFFKASA-N	00000011110000000000100010000000000000000000000000000000	25-01-121217
O(C(=O)n1c2CCCc2cc1C=C1N=C(C=C1OC)c1n(ccc1)C)C(C)(C)C	PC-id_72511399	393.479	VZQBPAHYLKLOGY-UHFFFAOYSA-N	00000011110000000000100010000000000000000000000000000000	25-01-121218
c1(NC(=O)CSc2nc(cc(O)n2)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_3773532,CoCoCo_6269108,MCULE-6211139371,TOSLab_8231,EMOLS-id_8333731,PC-id_135459194,TIMTEC572208,EMOLS-id_33407846,CoCoCo_6269107,CoCoCo_6269106	393.48	YJYUZSPMTHNNSM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121219
Cc1ccc(NC(=O)CNC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N	PC-id_146087126,MCULE-9452170108,ZINC22_1875256016,EMOLS-id_324029698	393.48	NMCWXNVRPOTXFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121220
Cc1noc(c1C)c1ccc(o1)S(=O)(=O)NCCc1nc2CCCc2s1	EMOLS-id_316210119,MCULE-2017833794,ZINC22_1506398320	393.48	OQKWSNNRKFURHW-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-121221
CC(C)OC(=O)C1=C(SC2Cn3cnc[n+]3C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12	ZINC22_95871214,PC-id_97299648	393.48	DEIKUZAYKVIUMN-HBJVGIJOSA-N	00001011100000000001001010000000000000000000000000000000	25-01-121222
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)N	CoCoCo_3218647,MCULE-9519242569,ZINC22_3204146,PC-id_2326899,EMOLS-id_24177219	393.48	OZMCFGGHWDHLDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121223
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	MCULE-3042675117,EMOLS-id_45711601,NSC746255,ZINC22_6887316,PC-id_4803013	393.48	SHEQNNKPTWFUHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121224
COc1ccc(cc1S(=O)(=O)Nc1nc2CCCc2s1)N1CCCC1=O	EMOLS-id_181478381,PC-id_84563780,MCULE-7258682898	393.48	IQVAWBQSFIBGCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121225
CS(=O)(=O)Nc1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CCC2	MCULE-5708233248,PC-id_146089877,ZINC22_1875261466,EMOLS-id_324040729	393.48	UCGZGPRYTWHRTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121226
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1sc2c(CCC2)n1	MCULE-8785200255,ZINC22_8324882,EMOLS-id_11777055,CoCoCo_4164077,PC-id_9450441	393.48	KFZSPNFYIHYYPN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121227
O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC22_8184621,EMOLS-id_11700997,PC-id_9318196,CoCoCo_4164033,MCULE-1794466581	393.48	OYBIPAFBDWLLSD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121228
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	PC-id_27684496	393.48	AZWSTYSULUJZEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121229
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCC)cc1	PC-id_27684883	393.48	LONMKBZRMRHIIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121230
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1	PC-id_26872736	393.48	LSYSLHPTEUHUKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121231
s1c2CCCc2cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1	PC-id_27684249	393.48	XXXZIHNZBXJUJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121232
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1sc(nc1C)C)C)C(=O)N	PC-id_8578512	393.48	IPVQYGMFQXYMMP-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121233
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1sc(nc1C)C)C)C(=O)N	PC-id_8578515	393.48	IPVQYGMFQXYMMP-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121234
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1sc(nc1C)C)C)C(=O)N	PC-id_78728689	393.48	IPVQYGMFQXYMMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121235
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)C1CC1)C(=O)OCC	PC-id_8385862	393.48	GQQWOZVVSHXBRT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-121236
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1onc2c1CSC2	PC-id_49719087	393.48	AAXQRBLGXIGQES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121237
c1(C(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)C2CC2)c2CCCc2n(C)n1	EMOLS-id_320482058,MCULE-5651678059,PC-id_84467378	393.482	BKJHEQWPJSHXQE-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-121238
C=CCOc1ccccc1/C=c/1sc2nc(/C=C/c3cccs3)nn2c1=O	EMOLS-id_45970312,ZINC22_27022091	393.482	ZDVWZMBQSXOSJW-GIYAWHNBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121239
C=CCOc1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_16807454	393.482	HPFOCCVKVHCNBU-QDNZWQKDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121240
C=CCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_27022031,EMOLS-id_45970282	393.482	HPFOCCVKVHCNBU-GIYAWHNBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121241
COc1ccccc1/C=CC=c
/sc2nc(/C=C/c3cccs3)nn2c1=O	ZINC22_27022128,EMOLS-id_45970326	393.482	FAIXZIHEIMLDDB-VEYWJUQXSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121242
n12nc(nc1sc(=Cc1ccc(cc1)OCC=C)c2=O)C=Cc1cccs1	MCULE-2082738281	393.482	HPFOCCVKVHCNBU-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121243
n12nc(nc1sc(=Cc1ccccc1OCC=C)c2=O)C=Cc1cccs1	MCULE-5898459177	393.482	ZDVWZMBQSXOSJW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121244
n12nc(nc1sc(=CC=Cc1ccccc1OC)c2=O)C=Cc1cccs1	MCULE-3000894076	393.482	FAIXZIHEIMLDDB-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121245
c1(nnc2SCCn12)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1	CoCoCo_2590541,PC-id_22582981,EMOLS-id_16349497,MCULE-7662802826	393.484	AQTJQNMHKLUQSR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121246
CN1CCN(C(C1)CNC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCC2	MCULE-4916955521,EMOLS-id_48292766,PC-id_75391993	393.484	CFDLEBRBESQIQT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121247
CN1CCN(C(=O)NCc2nnc3n2CCC3)[C@H](CNC(=O)OC(C)(C)C)C1	PC-id_97246847,ZINC22_95444194	393.484	CFDLEBRBESQIQT-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121248
CN1CCN(C(=O)NCc2nnc3n2CCC3)[C@@H](CNC(=O)OC(C)(C)C)C1	PC-id_97246848,ZINC22_95444195	393.484	CFDLEBRBESQIQT-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121249
s1c2CCCc2c(c1NC(=O)CSc1n(CCCOC)c(=O)[nH]n1)C#N	PC-id_8441252	393.484	BENVELDCKSOPAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121250
s1c2c(CCC2)c(c1NC(=O)CSc1nc(N)cc(n1)N)C(=O)OCC	PC-id_2708652	393.484	JOMLRTCGHVBMMS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121251
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C1CC1)C(=O)OCC	PC-id_27096104	393.484	JOFYPPVHGNFHGR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-121252
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)CC=C)C(=O)OCC	PC-id_55996892	393.484	YZQUMEFKAIVRBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121253
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C(=O)N)C(=O)OC	PC-id_20173594	393.484	ROXAMHIOOUDBMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121254
s1c2c(CCC2)c(c1NC(=S)Nc1cn(nc1C(=O)N)CC)C(=O)OC	PC-id_17300323	393.484	XCVLMLTZJZHKRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121255
S(c1n(C2CC2)c(=O)[nH]n1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_84865857	393.484	KVIRBSOQEBABEJ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-121256
S(c1n(C2CC2)c(=O)[nH]n1)[C@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_8889929	393.484	KVIRBSOQEBABEJ-ZETCQYMHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-121257
S(c1n(C2CC2)c(=O)[nH]n1)[C@@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_8889930	393.484	KVIRBSOQEBABEJ-SSDOTTSWSA-N	00100010100000000001100010000000000000000000000000000000	25-01-121258
Cc1nc2scc(C)n2c1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324836341	393.485	GSOITTBIIDMQMZ-DHDCSXOGSA-N	00000000100000110001000110000000000000000000000000000000	25-01-121259
Cc1nn(c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)Cc1nnc2n1CCC2	PC-id_96530190,ZINC22_79025667	393.485	DFLZYCDOERELNV-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121260
Cc1nn(c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)Cc1nnc2n1CCC2	ZINC22_79025661,PC-id_96530189	393.485	DFLZYCDOERELNV-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121261
CC(N(Cc1nnc2n1CCC2)C)C(=O)Nc1c(C)nn(c1C)c1ccccc1	EMOLS-id_43665492,PC-id_71860709,MCULE-4184018714	393.485	DFLZYCDOERELNV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121262
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)Cc1ccccc1	MCULE-3016247484	393.485	GSOITTBIIDMQMZ-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-121263
s1c2CCCc2c(c1NC(=O)CSc1ncc(nn1)c1ccccc1)C#N	PC-id_6415161	393.485	GYWWVHQVLAQMBI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121264
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)OC	PC-id_41271703	393.495	MUOZKITVQLFCCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121265
s1c2c(CCC2)c(c1NC(=O)CCSc1ccc(F)cc1)C(=O)OCC	PC-id_7546360	393.495	DOTJRHDJLBFSMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121266
C1(CCCCC1)(C(=O)OCC)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-2560704243,EMOLS-id_328167014	393.497	GVLCDDFZDAGLPO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121267
CC(C)(C)OC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	SCHEMBL20340280,PC-id_135188117	393.497	RWRXOAUXEZRAQC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121268
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC1CCCCC1)C(=O)OCC	PC-id_3406238	393.497	ABVYXPDNNPJDPF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121269
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC1CCCC1)C(=O)OCC	PC-id_3592731	393.497	ZSGDMRIYHOQDOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121270
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1ccc(cc1)C)C	PC-id_4560107	393.499	NLQWIYYIJNDVIO-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-121271
COC(=O)c1c(NC(=O)CN2CCN(C(=O)C(C)C)CC2)sc2c1CCC2	ZINC22_57456961,MCULE-9246628328,EMOLS-id_48937313,PC-id_18086236	393.5	NYSQPZLLPZKZIG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121272
O=C(C1CCCN(C1)C(=O)OC(C)(C)C)NNC(=O)c1sc2c(c1)CCC2	MCULE-9715536847,EMOLS-id_24994905,PC-id_24514590	393.5	GSZYCWAMONNHHK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121273
O=C([C@@H]1CCCN(C1)C(=O)OC(C)(C)C)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4287967,PC-id_27684788	393.5	GSZYCWAMONNHHK-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121274
O=C([C@H]1CCCN(C1)C(=O)OC(C)(C)C)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4287968,PC-id_27684789	393.5	GSZYCWAMONNHHK-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121275
s1c2CCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C	PC-id_46652828	393.5	YWKJDKSSDOBALT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121276
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCC(CC1)C(=O)OCC)C)C(=O)N	PC-id_26371707	393.5	HSMWNHCLJPMJCX-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-121277
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCC(CC1)C(=O)OCC)C)C(=O)N	PC-id_26371710	393.5	HSMWNHCLJPMJCX-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121278
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@H](CCC1)C1OCCO1)C)C(=O)N	PC-id_52864467	393.5	PPZFIWYKUINOFW-RYUDHWBXSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121279
s1c2c(CCC2)c(c1NC(=O)[C@H](N1C[C@H](CCC1)C1OCCO1)C)C(=O)N	PC-id_52864469	393.5	PPZFIWYKUINOFW-NEPJUHHUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121280
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@@H](CCC1)C(=O)OCC)C)C(=O)N	PC-id_9444767	393.5	XSEPTGGKMVKJPW-NWDGAFQWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121281
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@H](CCC1)C(=O)OCC)C)C(=O)N	PC-id_9444769	393.5	XSEPTGGKMVKJPW-RYUDHWBXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121282
s1c2c(CCC2)c(c1NC(=O)C(N1CC(CCC1)C1OCCO1)C)C(=O)N	PC-id_75946492	393.5	PPZFIWYKUINOFW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121283
s1c2c(CCC2)c(c1NC(=O)C(N1CC(CCC1)C(=O)OCC)C)C(=O)N	PC-id_24506619	393.5	XSEPTGGKMVKJPW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121284
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)OCC)C)C(=O)N	PC-id_24507083	393.5	HSMWNHCLJPMJCX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121285
s1c2c(CCC2)c(c1NC(=O)CN1C(C(C)C)C(=O)NCC1)C(=O)OCC	PC-id_56574825	393.5	YFZQQVUZRMKFRX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121286
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N1CCCC1)C)C(=O)OCC	PC-id_38269234	393.5	JDUYXNUTMBXHFW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121287
c12SCCn1cc(CNC(=O)CC(c1ccccc1)c1ccc(cc1)OC)n2	PC-id_45172608,EMOLS-id_20409464,MCULE-3081381628	393.502	OEYGTPKTRKZFOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121288
c1(c2CCCc2sc1NCc1ccccn1)C(=O)Nc1ccccc1OCC	MCULE-7482992348,ZINC22_920856,CoCoCo_306042,EMOLS-id_1439565,BAS-03715669,PC-id_1166864	393.502	UXQZRAOCIUXEKL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121289
c1(c2CCCc2sc1N=Cc1cccn1C)C(=O)Nc1ccccc1OCC	MCULE-2756634908,PC-id_3703038	393.502	ZJWOZMIRQRIIEP-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-121290
c1(c2CCCc2sc1N=Cc1cccn1C)C(=O)Nc1ccc(cc1)OCC	MCULE-6401155402,PC-id_3700076	393.502	QAEWVPBMOFARKZ-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-121291
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3C)C2)sc2c(CCC2)c1C#N	EMOLS-id_322625601,MCULE-5487234410	393.502	LMDJJODSCWVQKF-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-121292
CC(c1ccc(cc1)S(=O)(=O)c1ccc(cc1)NN=C1CCn2c1ccc2)C	PC-id_71899690,EMOLS-id_44522112,MCULE-4625259151	393.502	QIIXDJROYPVALA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121293
CC(C)c1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1	ZINC22_84625246,PC-id_97018867	393.502	OYDQHLGEYHPGSU-OAHLLOKOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-121294
CC(C)c1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1	ZINC22_84625248,PC-id_97018868	393.502	OYDQHLGEYHPGSU-HNNXBMFYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-121295
CC(C)c1ccc(S(=O)(=O)c2ccc(N/N=C/CCn4cccc34)cc2)cc1	ZINC22_84625187,PC-id_75362244	393.502	QIIXDJROYPVALA-FLFQWRMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-121296
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(c3ccccc3)cc1)C[S@](=O)C2	CoCoCo_4985521,PC-id_11863926,ZINC22_4106230	393.502	MAEMQTMUQPUDFK-NDEPHWFRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121297
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(c3ccccc3)cc1)C[S@@](=O)C2	PC-id_11877771,ZINC22_2725078,CoCoCo_4985522	393.502	MAEMQTMUQPUDFK-MUUNZHRXSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121298
CC(C)(C)n1nc2CS(=O)Cc2c1NC(=O)c1ccc(cc1)c1ccccc1	EMOLS-id_5442959,Chemmine_40492,PC-id_2160445,MCULE-6832941999	393.502	MAEMQTMUQPUDFK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121299
CCOc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1cccn1C	EMOLS-id_46413541,CoCoCo_6728522,PC-id_9631815,ZINC22_101892657	393.502	ZJWOZMIRQRIIEP-OEAKJJBVSA-N	00000010110000110000000010000000000000000000000000000000	25-01-121300
CCOc1ccc(cc1)NC(=O)c1c(NCc2ccccn2)sc2c1CCC2	CoCoCo_2720370,PC-id_4689867	393.502	HENGSYIQVFLJEX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121301
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2cccn2C)sc2c1CCC2	CoCoCo_6728521	393.502	QAEWVPBMOFARKZ-UCQKPKSFSA-N	00000010110000110000000010000000000000000000000000000000	25-01-121302
CCOc1ccccc1NC(=O)c1c(/N=Cc2cccn2C)sc2c1CCC2	CoCoCo_6728523,TIMTEC595398,ZINC22_4545644	393.502	ZJWOZMIRQRIIEP-UCQKPKSFSA-N	00000010110000110000000010000000000000000000000000000000	25-01-121303
CCOc1ccc(cc1)NC(=O)c1c(NCc2cccnc2)sc2c1CCC2	CoCoCo_2720375,PC-id_4689868	393.502	RPRQCEKAPHFURF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121304
CCOc1ccccc1NC(=O)c1c(NCc2ccncc2)sc2c1CCC2	CoCoCo_2720389,PC-id_4406317	393.502	LCGVPKSEZXCXCI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121305
CCOc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccn2C)cc1	PC-id_9631689,CoCoCo_6728520,EMOLS-id_46413539,ZINC22_4545640	393.502	QAEWVPBMOFARKZ-OEAKJJBVSA-N	00000010110000110000000010000000000000000000000000000000	25-01-121306
COc1ccc([C@H](CC(=O)NCc2cn3c(n2)SCC3)c2ccccc2)cc1	PC-id_42097319,ZINC22_11663788,CoCoCo_1144361	393.502	OEYGTPKTRKZFOP-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121307
COc1ccc([C@@H](CC(=O)NCc2cn3c(n2)SCC3)c2ccccc2)cc1	ZINC22_11663787,CoCoCo_1144362,PC-id_42097318	393.502	OEYGTPKTRKZFOP-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121308
N#Cc1c(NC(=O)C2CN(C(=O)C2)c2cccc(c2)C(C)C)sc2c1CCC2	PC-id_71898532,EMOLS-id_44524546,MCULE-2669883326	393.502	OYDQHLGEYHPGSU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-121309
N#Cc1c(NC(=O)C(N2CCC3(C2)OCc2c3cccc2)C)sc2c1CCC2	EMOLS-id_100121085	393.502	ONXFSCGGECOZHX-UHFFFAOYSA-N	00000010100000100000000010000000000000000000000000000000	25-01-121310
O(c1cc(C[NH2+]C(c2n3CCCc3nn2)C)ccc1OCc1ccccc1)CC	PC-id_75751666	393.502	VWNSRSBNOLTVMI-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-121311
O(c1cc(C[NH2+][C@H](c2n3CCCc3nn2)C)ccc1OCc1ccccc1)CC	PC-id_51941239	393.502	VWNSRSBNOLTVMI-KRWDZBQOSA-O	00000010100000110001000010000000000000000000000000000000	25-01-121312
O(c1cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)ccc1OCc1ccccc1)CC	PC-id_51941241	393.502	VWNSRSBNOLTVMI-QGZVFWFLSA-O	00000010100000110001000010000000000000000000000000000000	25-01-121313
O=C(c1ccccc1Oc1ccccc1)Nc1c2CSCc2nn1C(C)(C)C	PC-id_121030660	393.502	VLGZXJOUSGHCSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121314
s1c2c(CCC2)c(c1NCc1cccnc1)C(=O)Nc1c(OCC)cccc1	PC-id_3499145	393.502	MKJICPXQPHKAQS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121315
s1c2CCCc2c(c1NC(=O)CCN1CCC(=CC1)c1ccc(O)cc1)C#N	PC-id_24682374	393.502	KCYBVSSSLZQYJK-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-121316
c1(NC(=O)CSc2scc(CC(=O)OC)n2)sc2c(CCC2)c1C#N	EMOLS-id_324925512,MCULE-3771715275	393.504	VCHVNZPRGJLZIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121317
c1(NC(=O)CSc2scc(C(=O)OCC)n2)sc2c(CCC2)c1C#N	EMOLS-id_324915520,MCULE-3215841088	393.504	XGBJTHXVOPQMEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121318
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)N(C)C)C)C(=O)N	PC-id_55682506	393.504	XXVQVHXODLOMEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121319
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCCN1CCCC1=O	PC-id_7685552	393.504	JQQXGLQBIAJBHG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121320
s1nc(nc1N/N=C
/C(=Nn2c1nc(C(C)C)c2)C(C)(C)C)c1ccccc1	PC-id_23386397	393.509	VLVDGZWMOBAZJW-HAHDFKILSA-N	00000011100000110001100010000000000000000000000000000000	25-01-121321
s1nc(nc1NN=C1C(=Nn2c1nc(C(C)C)c2)C(C)(C)C)c1ccccc1	PC-id_74046503	393.509	VLVDGZWMOBAZJW-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-121322
CCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	PC-id_20253945,SCHEMBL10818082	393.519	DYAADMJYJLLOHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121323
CCOC(=O)c1c(NS(=O)(=O)c2c(C)cc(C)cc2C)sc2c1CCC2	MCULE-2693805498,EMOLS-id_46568385,ZINC22_20567932,PC-id_17200403	393.52	UQFJDYILTLMGCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121324
c1(NC(=O)c2sc(nc2C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6274351363,EMOLS-id_334392337	393.524	AFIKVZNZFVDHBM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121325
c1(NC(=O)CS(=O)CC(=O)N2CCCCCC2)sc2c(CCC2)c1C#N	MCULE-3464479932,EMOLS-id_320677737	393.524	RRRRNMDHQMCISE-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-121326
c1(NC(=O)CS(=O)CC(=O)NC2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_320676713,MCULE-9418205164	393.524	WLTZLHUMMKOYRB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121327
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)CC(=O)N1CCC(CC1)C	MCULE-5742623067,EMOLS-id_186579997	393.524	IGKMCYKDFNKVQH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121328
CC[C@@H](C1NCc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C)C	PC-id_117688891,SCHEMBL16224710	393.524	NBISQZALCFZMIA-CHPOKUKFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121329
CC[C@H](C)[C@H]1c2c(CN1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170725,SCHEMBL19771892	393.524	NBISQZALCFZMIA-ZBEGNZNMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121330
CC[C@@H]([C@@H]1NCc2c1nc(s2)C(c1ccc(cc1)S(=O)(=O)C)C(=O)N)C	PC-id_140763628	393.524	FNISZPIVXLLAQD-WAJWKUKPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121331
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3c(s2)CCC3)c1	MCULE-5871692149,EMOLS-id_18855111,CoCoCo_4164256,PC-id_26723359,ZINC22_15636875	393.524	ACTKGDBCHWVYTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121332
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1C	ZINC22_12870634,PC-id_25566437,MCULE-4862194340,EMOLS-id_24125227,CoCoCo_4164212	393.524	KZZLVORZESMJGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121333
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CNC2C(C)C	SCHEMBL19771858	393.524	QQGBBBAUKAQELB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121334
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN[C@H]2C(C)C	PC-id_117688917,SCHEMBL16224747	393.524	QQGBBBAUKAQELB-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121335
CCS(=O)(=O)c1ccc(cc1)CN1Cc2c(C1C(C)C)nc(s2)C(=O)N	SCHEMBL16213555,PC-id_117680226	393.524	KQXUZKSCJAZFAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121336
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CNC2C(C)C	PC-id_134170731,SCHEMBL19771898	393.524	ZPJRCCIRQHEZSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121337
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN[C@H]2C(C)C	SCHEMBL16224731,PC-id_117688907	393.524	ZPJRCCIRQHEZSO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121338
s1c2CCCc2cc1C(=O)Nc1c(NCCCC)ccc(S(=O)(=O)N)c1	PC-id_3293532	393.524	SVSKLELGMMAKRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121339
s1c2CCCc2cc1C(=O)Nc1c(N(C)C)ccc(S(=O)(=O)N(C)C)c1	PC-id_78796727	393.524	IBSCMXGWWZXHGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121340
c1(c2CCCc2sc1NC(=S)Nc1ccccc1)C(=O)Nc1ccccc1	CoCoCo_5950848,EMOLS-id_2765631,ZINC22_4064571,MCULE-2781410967,PC-id_4352899	393.525	ZLSJZMWLDVUUNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121341
CSc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324903439	393.525	KPDMJSQKLFOWIS-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-121342
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C=Cc1cccs1	MCULE-5122790063	393.525	QUHUXALDUCLOQZ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121343
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)CCc1ccc(cc1)C	MCULE-3954197277	393.525	KPDMJSQKLFOWIS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121344
N#Cc1c(NC(=O)CNC(c2cccs2)c2ccccc2)sc2c1CCC2	MCULE-5979893734,EMOLS-id_3686751,PC-id_16334916	393.525	CJKOEZLHKVTYGK-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-121345
N#Cc1c(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)sc2c1CCC2	PC-id_9320772,ZINC22_58175521,CoCoCo_3984278	393.525	CJKOEZLHKVTYGK-FQEVSTJZSA-N	00000010100100110000000010000000000000000000000000000000	25-01-121346
N#Cc1c(NC(=O)CN[C@H](c2ccccc2)c2cccs2)sc2c1CCC2	PC-id_9320785,ZINC22_58175522,CoCoCo_3984277	393.525	CJKOEZLHKVTYGK-HXUWFJFHSA-N	00000010100100110000000010000000000000000000000000000000	25-01-121347
CCCCC(NC(=NC)NCc1nnc2n1CCC2)CNC(=O)OC(C)(C)C	PC-id_109734649	393.527	DPUJPHHSXZZFMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121348
CN=C(NCc1nnc2n1CCC2)NCC(NC(=O)OC(C)(C)C)(CC)CC	PC-id_111771876	393.527	OGYBPTDIEZDKIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121349
CSCC(C(=O)N1CCC(CC1)C(=O)Nc1nc2n(c1C#N)CCS2)C	EMOLS-id_100996145	393.527	ZRRVEOAAHRFJGY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121350
O=S(=O)(c1cccnc1NCCc1cn2c(n1)SCC2)N1CCCCC1	EMOLS-id_99838459	393.527	JUUNUQADANQRGT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-121351
O=S(=O)(c1ccc(nc1)NCCc1cn2c(n1)SCC2)N1CCCCC1	MCULE-5394704322,EMOLS-id_257916532	393.527	SBHKZJVOBHTHJG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-121352
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCCCC)cnn1)C(=O)N	PC-id_8256933	393.527	WZMXSEPFRIXXNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121353
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)CC=Cc1ccccc1	PC-id_111218451	393.528	FORFCLAJCHYOLS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121354
[Si]([N+]1=Cc2n(C1=O)c(cc2)C)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_20783832	393.533	XYICOBVVOWQFPN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-121355
CCOC(=O)c1c(NC(=O)C2C(C2(C)C)(C)C)sc2c1C(C)(C)OC2(C)C	SCHEMBL2162614,PC-id_24772284	393.54	UOWJUZNNKSAGGQ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-121356
O=C(N1CCC(CC1)OCC1CCCCO1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003759	393.543	LTBJVZSHPAXSPX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121357
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)CC)C(=O)OCC	PC-id_8718252	393.543	AURCJFRLQCFENF-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-121358
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1C)C)C(=O)OCC	PC-id_9433886	393.543	RMXISBXFKCDOLA-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-121359
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)Cc1ccccc1)C#N	PC-id_24588616	393.545	VBQKVGTWOOQIQO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-121360
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)Cc1ccccc1)C#N	PC-id_56526564	393.545	ZRYLUSKYVWDTJN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-121361
s1c2c(CCC2)c(c1NC(=O)CCN(CC1CCC1)Cc1ccccc1)C#N	PC-id_52759272	393.545	HSALPWNUNWCDHI-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-121362
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)Cc1ccc(cc1)C(C)C)C#N	PC-id_8915684	393.545	GHKLWYLZFFHLBQ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-121363
s1c2CCCc2c(c1NC(=O)CSc1sc(NCC(C)C)nn1)C#N	PC-id_8351790	393.55	ZSMPNAIIKALNDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121364
OCCNC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817062	393.556	ZHFWLELVUYAYSD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-121365
CC(C)C[C@@H](C(=O)N=C1C=Cc2cn(cc12)CC1CCCC=C1)N1CCCCC1	PC-id_136368808	393.565	IHNYZVXOGOTTMU-JWIMYKKASA-N	00000011100011000000000010000000000000000000000000000000	25-01-121366
CCc1ccc(s1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110028	393.567	FXYKDGQNNNWPKB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-121367
CCCCCCCCCCCC(=O)Nc1sc2CCCc2c1C(=O)OCC	PC-id_5059622,EMOLS-id_327886831,MCULE-3292999435	393.583	QMPAZFMLTUZIDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121368
S1c2n(cc(n2)CNC(=O)C2C[NH+](C3CC[NH+](CC3)C(C)C)CCC2)CC1	PC-id_74809329	393.59	DCGMYSSOTNPZNB-UHFFFAOYSA-P	00000010100010000001100010000000000000000000000000000000	25-01-121369
S1c2n(cc(n2)CNC(=O)[C@H]2C[NH+](C3CC[NH+](CC3)C(C)C)CCC2)CC1	PC-id_42511127	393.59	DCGMYSSOTNPZNB-MRXNPFEDSA-P	00000010100010000001100010000000000000000000000000000000	25-01-121370
S1c2n(cc(n2)CNC(=O)[C@@H]2C[NH+](C3CC[NH+](CC3)C(C)C)CCC2)CC1	PC-id_42511130	393.59	DCGMYSSOTNPZNB-INIZCTEOSA-P	00000010100010000001100010000000000000000000000000000000	25-01-121371
CC1CCc2c1c(Br)nn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-9911704303,EMOLS-id_330967551	393.629	HSZVWRRJHQLWJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121372
CC1CCc2c1c(Br)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	EMOLS-id_330970096,MCULE-6178282949	393.629	NFYIMOQDSIOLQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121373
CC1CCc2c1c(Cl)nn2Cc1ccc(c(Br)c1)C(F)(F)F	MCULE-7355550167,EMOLS-id_330975478	393.629	SDIIKPAROMYAPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121374
CC1CCc2c1c(Cl)nn2Cc1ccc(cc1Br)C(F)(F)F	MCULE-1216389653,EMOLS-id_330977013	393.629	WZENVWBPOZKCMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121375
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(Cl)c12	MCULE-9826771962,EMOLS-id_330960562	393.629	YOHOWBCHQFWAAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121376
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(Cl)c12	MCULE-1054971290,EMOLS-id_330958002	393.629	WJDPDQBMDAEIFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121377
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(Br)c12	MCULE-2006489680,EMOLS-id_331015084	393.629	MGOJVJOPWMQTKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121378
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(Br)c12	MCULE-6185334205,EMOLS-id_331017644	393.629	SAKNPHHJEBWSNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121379
Ic1c(NC2CCc3sc(Cl)cc23)ccc(F)c1	PC-id_81252413	393.646	GCNSZERUOZZQGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121380
Brc1cc(ccc1Cl)S(=O)(=O)Nc1sc2c(n1)CCC2	PC-id_106612074	393.707	IQWNKHIEIDRQND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121381
Brc1cc(Cl)c(S(=O)(=O)Nc2sc3CCCc3n2)cc1	PC-id_60682807	393.707	XWSIRRVRRUXEKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121382
Clc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1C)C(=O)c1ccc(F)cc1	PC-id_54315567,SCHEMBL11045851	393.793	SNXIQOHXRZEFKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121383
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)Cl)C(=O)OC	SPECS-id_AF-399/13427007,MCULE-2094147048,PC-id_2789254,BAS-01292102,SPECS-id_AT-225/NB60166,ChEMBL-DNDi_CHEMBL5974852,EMOLS-id_604037,STOCK2S-61569	393.841	PDKKIQOYWUKGKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121384
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccc1Cl)C(=O)OC	STOCK2S-64673,PC-id_2787418,EMOLS-id_1464207,ChEMBL-DNDi_CHEMBLF3096-2747,BAS-05206490,MCULE-9146150002	393.841	KULZZOFQWLCQLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121385
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cccc(Cl)c1)C(=O)OC	BAS-01292103,EMOLS-id_1327858,STOCK2S-62737,MCULE-2208556050,PC-id_2789255	393.841	SMJOXQCRTUDUDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121386
Clc1ccc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_16540200	393.841	MEMDRXLJSCGVIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121387
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_24363288	393.841	DUGCCWVRRDXFKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121388
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_16539825	393.841	CMGSOMUKLGJCAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121389
COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_332493,PC-id_1554822,ZINC22_1747462	393.841	KULZZOFQWLCQLP-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-121390
COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_332494,ZINC22_3959289,PC-id_6995283	393.841	KULZZOFQWLCQLP-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121391
COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1553431,CoCoCo_187516,ZINC22_1744097	393.841	SMJOXQCRTUDUDG-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121392
COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_856512,PC-id_1119543,CoCoCo_187515	393.841	SMJOXQCRTUDUDG-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-121393
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_187513,PC-id_1553430,ZINC22_1744095	393.841	PDKKIQOYWUKGKQ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-121394
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_187514,ZINC22_622568,PC-id_978684	393.841	PDKKIQOYWUKGKQ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121395
Clc1cc(c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1)C(=O)N	PC-id_45724559	393.845	SIMUMQNLIGXPRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121396
Clc1cc(ncc1)C(=O)OC(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_78726871	393.845	ZCFUEWRIXJFCFH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121397
Clc1cc(ncc1)C(=O)O[C@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_8571017	393.845	ZCFUEWRIXJFCFH-QMMMGPOBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121398
Clc1cc(ncc1)C(=O)O[C@@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_8571022	393.845	ZCFUEWRIXJFCFH-MRVPVSSYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121399
Clc1cc(N)c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_7631665	393.845	XPQBQZRUZBHIAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121400
Clc1c(N)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_51549090	393.845	SDOKPOZOQQSKKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121401
c1(N(=O)=O)nn(c(C)c1Cl)CCCC(=O)Nc1sc2c(CCC2)c1C#N	PC-id_2978490,MCULE-9079974360,CHEMBL1353584,ZINC22_4148003,EMOLS-id_2513481,CoCoCo_563971	393.848	QZLBGGOQBRTFQA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121402
c1(NC(=O)C=Cc2c(cccc2F)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-7544452475,PC-id_2930818	393.86	LTSFNISZXGJZCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121403
CCOC(=O)c1c2CCCc2sc1NC(=O)/C=C/c1c(F)cccc1Cl	PC-id_2168391,TIMTEC295871,ZINC22_2765914,CoCoCo_895639,EMOLS-id_25948880	393.86	LTSFNISZXGJZCS-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121404
CCOC(=O)c1c(NC(=O)/C=Cc2c(F)cccc2Cl)sc2c1CCC2	CoCoCo_895640	393.86	LTSFNISZXGJZCS-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121405
Clc1c(C(=O)Nc2sc3c(c2C(=O)C2CCC2)C(OC3)C)cc(F)cc1	PC-id_24772408,SCHEMBL2162492	393.86	PBYJNJMMPNHNIB-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-121406
Clc1c(C(=O)Nc2sc3c(c2C(=O)C2CCC2)C(OC3)C)c(F)ccc1	PC-id_24772219,SCHEMBL2163197	393.86	AEVHGQFPXAVTBG-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-121407
c1(c2CCCc2sc1NC(=O)COc1ccccc1Cl)C(=O)OC(C)C	PC-id_997814,CoCoCo_6256733,ZINC22_651824,MCULE-9528027046,EMOLS-id_5006180,SPECS-id_AK-968/15361520	393.884	KMSNZFOXTNYHGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121408
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	ZINC22_1773635,PC-id_1565123,CoCoCo_1784128,EMOLS-id_1865982,STOCK2S-69159,MCULE-4393185141	393.884	IVXVZTRAHVOUBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121409
c1(NC(=O)C(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_4943946,EMOLS-id_327855556,MCULE-3152322522	393.884	KBSBZCCTSVYHEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121410
c1(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_2862839,TIMTEC368883,MCULE-9905040458,EMOLS-id_2369186	393.884	OXFRESXSIWWMIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121411
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_2790035,CoCoCo_857045,ChEMBL-DNDi_CHEMBL6949268,MCULE-1270620091,ZINC22_4040244,EMOLS-id_1862621	393.884	KKWPZLGBWMHKHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121412
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-2141312321,PC-id_1666517	393.884	SYJUROLUEXZMOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121413
CCOC(=O)c1c2c(CCC2)sc1NC(=O)COc1cc(C)c(Cl)cc1	PC-id_3431681,ZINC22_5446635,MCULE-6800834506,CoCoCo_2960319,EMOLS-id_43735334	393.884	VCSZUOZRQFQEHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121414
CCOC(=O)c1c(NCC(=O)c2ccc(c(c2)Cl)OC)sc2c1CCC2	PC-id_110827588	393.884	YWBCRLPMSQETBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121415
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCC2	PC-id_1359041,ZINC22_1200840,CoCoCo_684694	393.884	OXFRESXSIWWMIJ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-121416
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCC2	ZINC22_1200838,CoCoCo_684693,PC-id_1359039	393.884	OXFRESXSIWWMIJ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121417
Clc1c(cc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)c(OC)c1)C	PC-id_8359268	393.884	SWSBUIYXIVJNMO-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121418
Clc1c(cc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)c(OC)c1)C	PC-id_8359275	393.884	SWSBUIYXIVJNMO-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-121419
Clc1c(cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)c(OC)c1)C	PC-id_78674858	393.884	SWSBUIYXIVJNMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121420
Clc1cc(c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1)C	PC-id_3471399	393.884	DSVGCLUZJSPLDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121421
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(cc1)C	PC-id_7917294	393.884	YJDULPUXECKEFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121422
Clc1c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cccc1	PC-id_4931966	393.884	XSXRHUUZZQVJIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121423
COCCOCC(=O)Nc1sc2c(c1C(=O)c1ccc(cc1)Cl)CCC2	PC-id_112818827	393.884	SBQVHQCYMQLNRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121424
c1(NC(=O)c2cccc(Cl)n2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388765,MCULE-3294185407	393.888	IQIJXFHGOIQYOE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121425
c1(NC(=O)c2ccc(nc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387230,MCULE-8638556350	393.888	TUUGNPXAOKGRRM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121426
c1(NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2281916275,EMOLS-id_334392339	393.888	WLGGLJCDYYYGSC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121427
c1(NC(=O)c2ccnc(Cl)c2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386974,MCULE-2255867475	393.888	BYJNPNZUFHHJCB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121428
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-7004610404,EMOLS-id_322861287	393.889	UBXHFNOOGUEYOY-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-121429
CCc1ccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_27022633	393.889	HXUMFBPSONTYOB-HEMGCLFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121430
CCc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_45964813,ZINC22_16735179	393.889	HXUMFBPSONTYOB-KTYKIUSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121431
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8311820643	393.889	HXUMFBPSONTYOB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121432
Clc1ccc([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_41236840	393.908	XGSRYDVGTTZDFZ-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-121433
Clc1ccc([C@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_41236842	393.908	XGSRYDVGTTZDFZ-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121434
Clc1ccc(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_74754409	393.908	XGSRYDVGTTZDFZ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121435
Clc1c([C@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	GD-id_ZINC09253703,PC-id_40986733	393.908	UGTRLUUWCFZYFP-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121436
Clc1c([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	PC-id_40986729	393.908	UGTRLUUWCFZYFP-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-121437
Clc1c(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	PC-id_74731287	393.908	UGTRLUUWCFZYFP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121438
c1(NC(=S)NC(=O)c2ccc(cc2Cl)C)sc2c(CCC2)c1C(=O)N	ZINC22_6844352,TIMTEC421136,PC-id_4504965,EMOLS-id_1811945,CoCoCo_6761414,SPECS-id_AP-970/41728579,MCULE-3142637038	393.911	RDKNBIAFYBMUGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121439
c1(NC(=S)NC(=O)c2ccc(c(Cl)c2)C)sc2c(CCC2)c1C(=O)N	MCULE-2899683812,SPECS-id_AM-879/J184206,PC-id_4505173,SPECS-id_AN-153/I259610,ZINC22_6846329,TIMTEC287729,EMOLS-id_4072064,SPECS-id_AP-970/41728580	393.911	LKNZQDMNXROAFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121440
NC(=O)c1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)sc2c1CCC2	ZINC22_6883132,PC-id_4504210	393.911	JTJCJKGCRDNOTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121441
CCC(CC)c1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324850925	393.914	YCJIBTYHPHBNCU-WDZFZDKYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-121442
Clc1c(cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C)C=CP(=C)(C)C	PC-id_59933048	393.914	FYZAPFWOJKKIRZ-HSSKQKNHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121443
n12c(=O)c(=Cc3c(Cl)nc4scc(C)n34)sc1nc(C(CC)CC)n2	MCULE-7472347482	393.914	YCJIBTYHPHBNCU-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-121444
C/C=C(C1=C(C)c2n(C1CCC1(F)CCC(CC1)C(=O)N(C)C)cnc2)/Cl	PC-id_142610963	393.926	IBGIKXNSXTVKMK-FZSIALSZSA-N	00000011100010000001000010000000000000000000000000000000	25-01-121445
CCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1scc(c1)Cl)C	PC-id_20356086,SCHEMBL11664126	393.927	LXACANZLUJNSIP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121446
CCC1(CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)c1ccc(cc1)Cl	EMOLS-id_100347636	393.931	VXMUTZBETFBOCQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121447
Clc1ccc(cc1)OC(C(=O)Nc1c2CSCc2nn1C(C)(C)C)(C)C	PC-id_7483968,CoCoCo_5065545	393.931	WTXFMMIUAPBXFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121448
Clc1sc(CN(CCC(=O)Nc2sc3CCCc3c2C#N)CC)cc1	PC-id_55483051	393.954	UOPJFEHSMHPXKD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121449
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1CC3=CC(=CC(=C3)O)C(F)(F)F	PC-id_162176477	394.086	ZOLQHIRULLZTJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121451
c1c(cc(c(c1Cl)O)Cl)N=C1C(=Nn2c1nc(n2)C(F)(F)F)C(=O)O	SCHEMBL14342475,PC-id_136192839	394.093	NMTGECYZZJPEPV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-121452
CCOC(=O)C(=O)C1=C2CC(CN2C(=C1C)C(=O)NC3=CC(=C(C=C3)F)F)F	PC-id_148855808	394.114	OYIJMYIIXOBKBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121453
CC(C)N1C(=C2C=CCC2=N1)NC(=O)NS(=O)(=O)/C(=C/N)/C3=NCCCO3	PC-id_153395850	394.142	KGKBFBWRECAUQQ-UKTHLTGXSA-N	00000011100011000001000010000000000000000000000000000000	25-01-121454
Fc1cc(Br)ccc1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324910605	394.142	BZBHWBPVQCOAMP-BAQGIRSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121455
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1Br	EMOLS-id_324909577	394.142	RXOCFWBTEALXLL-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121456
n12c(=O)c(=Cc3ccc(Br)cc3F)sc1nc(C(F)(F)F)n2	MCULE-1107867496	394.142	BZBHWBPVQCOAMP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121457
n12c(=O)c(=Cc3ccc(c(Br)c3)F)sc1nc(C(F)(F)F)n2	MCULE-9365569722	394.142	RXOCFWBTEALXLL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121458
CC1=C(N2CCCC2=C1C(=O)C(=O)NCC=C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155177205	394.144	WVIRONQDFYZFFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121459
CC1(COc2ccc(OC(F)(F)F)cc2)Cn2nc(Br)nc2O1	EMOLS-id_320369586	394.144	ZOBBHHBKRYQHNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121460
Brc1cc(sc1Br)C(O)c1sc2c(CCC2)c1	PC-id_80535456	394.145	ACWWQBXGVMBFGV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121461
Brc1sc(Br)cc1C(O)c1sc2c(CCC2)c1	PC-id_61080858	394.145	WUUYQMBZWSZRLP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121462
COC(=O)C1=CC2=C(N1C(=O)[O-])CCC2CC3=CC(=CC=C3)C#C[Si](C)(C)C	PC-id_154398564	394.148	QSYDIKNXLIVCFB-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-121463
NC(c1sc(c(c1)Br)Br)c1sc2c(n1)CCC2	PC-id_102842825	394.148	QTAIZJAPKRVOJM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-121464
CCC1N(B(N(C(CC)(C)C)B(Nc2ccccc2)C)C)c2n(C1(C)C)ncn2	PC-id_144358211	394.173	RNHCSUQKDDYOFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121465
CC1=CC=C(C=C1)C(=O)C2=C(N=C3N2CCC3)NC(=O)NCCC4=NC(=NO4)C	PC-id_154752806,MCULE-4132416019,EMOLS-id_257827111	394.175	FOVFRTSYTSUNCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121466
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)Cl)Cl	SCHEMBL18740062	394.176	PIVWDGJXXIXKLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121467
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(Cl)cc(c1)Cl	SCHEMBL18740053	394.176	VWBLMUYOIAUFGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121468
C1C2=C(CN1CC3=CC=CC=C3)NN=C2NC(=O)C4=CC=CC=C4C5=CC=CC=C5	PC-id_153873223	394.179	URSVTZSYTZENDC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121469
CCOC(=O)C1=C(c2nn(n[n+]2C1=Nc1cc(c(c(c1)Cl)O)Cl)C)C#N	PC-id_136089217	394.192	WYGVTAQBELGFLJ-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-121470
Ic1n[nH]c2CN(Cc12)C(=O)NC/C=C/c1ccccc1	PC-id_10385933	394.21	PWGQBBVUUOBNNJ-QPJJXVBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121471
CC1(C2=C(CN1C(=O)NCCO)C(=NN2)NC(=O)C3(CCC3)[SiH-](C)(C)C)C	PC-id_148097533	394.228	JOTWQNXGKSOMGN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-121472
c12CN(Cc1sc(I)c2C(=O)N)C(=O)OC(C)(C)C	MCULE-9424772944,EMOLS-id_331063590	394.229	LEZCHAQFHRTMSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121473
c1(NC(=O)c2ccccc2I)sc2c(CCC2)c1C#N	MCULE-4545064191,PC-id_1276076,ZINC22_1093012,EMOLS-id_8604779,CoCoCo_6052514	394.23	AJGADBUCIGQWNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121474
c1(NC(=O)c2cccc(I)c2)sc2c(CCC2)c1C#N	CoCoCo_5970138,SPECS-id_AN-153/I284595,EMOLS-id_1722464,MCULE-6509126057,ZINC22_4616742,PC-id_3353734	394.23	OYJIYCQNWNMVFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121475
Ic1ccc(C(=O)Nc2sc3CCCc3c2C#N)cc1	CoCoCo_6382387,PC-id_4511570	394.23	WQLZWCQIRMKDHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121476
N#Cc1nc2n(c1Br)C[C@H](O2)COc1ccc(c(c1)F)C(C)(C)C	PC-id_140261654	394.238	FOBPBNWAJIBYHT-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-121477
Cc1c(n2CC(=S=O)C(c2c1)C(=O)O)C(=O)c1ccc(cc1)Br	SCHEMBL10812007,PC-id_88671966	394.24	JAKJVALNBGDGCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121478
CCOC(=O)n1c2c(CNC2(C)C)c(n1)N(C)C(=O)C(C)(C)[Si](C)(C)CC	PC-id_163922917	394.24	RBZJTJBXHMVACZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121479
Brc1/c(=C(O)/c2ccccc2)/n2[n+](c1C(=O)c1ccccc1)ccc2	PC-id_21784636	394.241	SYDAUOMTKUXPRB-UHFFFAOYSA-O	00000000100000110001000010000000000000000000000000000000	25-01-121480
n12nc(nc1sc(=Cc1cc(Br)ccc1OC(=O)C)c2=O)CC	MCULE-2186437514	394.243	YUTYFHNGCRSJJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121481
Cc1cc2n(c1C(=O)C1=CC(C)(I)C=CC=C1)CCC2N	PC-id_142815664	394.25	BAQQIWWXAVKOPM-UHFFFAOYSA-N	00000010100000000110000010000000000000000000000000000000	25-01-121482
CC1CCc2c1c(I)nn2Cc1cccc(OC2CC2)c1	EMOLS-id_330978808,MCULE-6568094973	394.25	HPSSXIFUSXDKID-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-121483
CC1CCc2nn(Cc3cccc(OC4CC4)c3)c(I)c12	EMOLS-id_330962868,MCULE-3907856071	394.25	DDMUXQRIUZKOSS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-121484
CCOC(=O)C=CC1N(C)C(=O)c2c1c(n[nH]2)Cc1ccc(cc1Cl)Cl	PC-id_66918260,SCHEMBL1138633	394.252	ZVZLWESKAHEETP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121485
CCOC(=O)/C=C/C1N(C)C(=O)c2c1c(n[nH]2)Cc1ccc(cc1Cl)Cl	SCHEMBL1138628,PC-id_66918257	394.252	ZVZLWESKAHEETP-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121486
O=C(C1CCc2n1c(CNC(=O)c1ccc(cc1Cl)Cl)nn2)NC1CC1	PC-id_118740516	394.255	YGJHDBIJYZAQKB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-121487
CCN(CC)C1=NC(=C(C=C1)N=C2C(=NN3C2=NN=C3C(C)N4CCCC4)C)C	PC-id_147326591	394.259	DAVRIUATAWJKSS-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-121488
O=C(C1CCS(=O)(=O)C1)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_319202286	394.261	FUFMXVOXDUTFSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121489
COC(c1ccccc1)(CNC(=O)c1c(Br)nc2n1CCC2)OC	EMOLS-id_279017713	394.263	ZAXZYWHZHZOJPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121490
CCCCCCCCC1=NS(=O)(=O)c2c(n(c(c12)C(C)(C)C)C)C(C)(C)C	PC-id_164062447	394.265	WICSQIKZIKSBIY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-121491
c12CN(Cc1sc(I)c2CNC)C(=O)OC(C)(C)C	EMOLS-id_331063846,MCULE-5021371631	394.272	JJEABGTYMRKGHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121492
NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F	SCHEMBL18758518	394.272	QCXZKZQGLLUNHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121493
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	MCULE-2907479825,EMOLS-id_322623822	394.275	BGCXPPUWZBMUCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121494
Brc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	PC-id_139391468,SCHEMBL21247283	394.283	DCVVEXSRQDCFLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121495
Brc1c(ccc(NC(=O)COC(=O)c2sc3CCCc3c2)c1)C	PC-id_7238976	394.283	CTNCLDSIAJQGNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121496
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)OC)cc2SC)cc1	SCHEMBL10813728,PC-id_13687497	394.283	NWNAETCCOLLQOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121497
BrC1=CC(=CNc2sc3c(CCC3)c2C(=O)OCC)C(=O)C=C1	PC-id_6080640	394.283	LGMBRGZGDVHHSE-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-121498
BrC1=C/C(=C/Nc2sc3c(CCC3)c2C(=O)OCC)/C(=O)C=C1	PC-id_6525752	394.283	LGMBRGZGDVHHSE-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-121499
Brc1ccc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7238818	394.283	IVOQNKAWJHHVCR-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-121500
Brc1ccc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7238820	394.283	IVOQNKAWJHHVCR-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121501
Brc1cc(c(NC(=O)COC(=O)c2sc3CCCc3c2)cc1)C	PC-id_7623816	394.283	BRQLUMNXOOOTHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121502
Brc1ccc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_18288356	394.283	IVOQNKAWJHHVCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121503
Brc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_8359077	394.283	RMOYYPFIFYNRLC-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-121504
Brc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_8359080	394.283	RMOYYPFIFYNRLC-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121505
Brc1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_78674808	394.283	RMOYYPFIFYNRLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121506
Brc1c(NC(=O)COC(=O)c2sc3CCCc3c2)ccc(c1)C	PC-id_7238965	394.283	HAIDCWYBWMMLNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121507
c1(N=Cc2cc(Br)ccc2O)sc2c(CCC2)c1C(=O)OCC	MCULE-1339308782	394.283	SLCUGOPVSIQANW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121508
c1(NC(=O)c2cccc(Br)c2)sc2c(CCC2)c1C(=O)OCC	TIMTEC496639,ZINC22_1200233,PC-id_1358576,MCULE-5795695118,EMOLS-id_2095543,CoCoCo_683570	394.283	VDSIOBIFLYZIHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121509
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_3204581,MCULE-5141889896,SCHEMBL21247263,ZINC22_1107900,PC-id_1286855,CoCoCo_3268287	394.283	BOUYMKAUWXTQET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121510
c1(NC(=O)c2ccccc2Br)sc2c(CCC2)c1C(=O)OCC	TIMTEC362130,BAS-00570355,ZINC22_633882,PC-id_986432,EMOLS-id_649612,CoCoCo_96722,MCULE-1761764777	394.283	OPQYOTJDGJHCRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121511
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(Br)ccc1O	ZINC22_3110664,GD-id_ZINC03110664,PC-id_135648348,STOCK1S-85902,EMOLS-id_26259867	394.283	SLCUGOPVSIQANW-DJKKODMXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121512
OC(=O)c1sc2c(c1Br)CN(C2)C(=O)C(c1ccccc1)(C)C	MCULE-3391557912,EMOLS-id_320176460	394.283	QSNWADTVSIRHPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121514
Brc1ccc(C(=O)NCCC(=O)Nc2sc3CCCc3n2)cc1	PC-id_26723243	394.286	DZTOGJLYUGMHJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121515
Brc1ccc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_8376707	394.286	YKDDWZONHRXKRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121516
CCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)Cl)Cl	PC-id_20528165,SCHEMBL11274013	394.292	YWRWFYNUPUJCNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121517
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)CC(C)C	EMOLS-id_330981365,MCULE-3156752375	394.293	UDVPOKQNHUKSHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121518
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)C(C)(C)C	MCULE-5820586443,EMOLS-id_330977526	394.293	SQNAPKNMGACTPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121519
CC1CCc2nn(Cc3ccc(cc3)C(C)(C)C)c(I)c12	EMOLS-id_330961586,MCULE-5325880420	394.293	PBKVYBPKDHDHMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121520
CC(c1c(C)cc(C)cc1C)n1nc2CCC(C)c2c1I	MCULE-2374833867,EMOLS-id_330963899	394.293	AHMORDNJXQHLAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121521
CC(c1cc(C)c(C)cc1C)n1nc2CCC(C)c2c1I	MCULE-4924031697,EMOLS-id_330963643	394.293	ZVYIOBSLJVQCHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121522
CC(C)c1cccc(c1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330961342,MCULE-2027814494	394.293	IFQKWBHGAXSYLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121523
CC(C)c1ccc(cc1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330964155,MCULE-4535415263	394.293	AMSHAZPQHBBMFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121524
CCCc1ccc(cc1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330964411,MCULE-2741901300	394.293	YDRBQCRWQYULBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121525
CC(C)Cc1ccc(Cn2nc3CCC(C)c3c2I)cc1	EMOLS-id_330961330,MCULE-7321572818	394.293	YFQZRAFIHFDSQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121526
Clc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1Cl	EMOLS-id_324831998	394.298	KMUJMUNJQFVGQN-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121527
Clc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c(Cl)c1	EMOLS-id_324829438	394.298	OCOKYWTYPUUWIL-MLPAPPSSSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121528
Clc1cccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)c1Cl	EMOLS-id_324830975	394.298	GIGVNDHIQHJQFB-GHXNOFRVSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121529
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)Cc1cccs1	MCULE-4537261747	394.298	OCOKYWTYPUUWIL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121530
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)Cc1cccs1	MCULE-4208267464	394.298	KMUJMUNJQFVGQN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121531
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)Cc1cccs1	MCULE-4787542484	394.298	GIGVNDHIQHJQFB-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-121532
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)Cn1nnc(c1)c1ccc(cc1)C(F)(F)F	SCHEMBL19518572	394.308	DFPVYMRPEFCUOM-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121533
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)Cn1nnc(c1)c1ccc(cc1)C(F)(F)F	SCHEMBL19518573	394.308	DFPVYMRPEFCUOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121534
CCNC(=NCc1nnc2n1CCC2)N(Cc1cc(cn1C)Br)C	PC-id_109750531	394.313	SVRJXPAISOFHSA-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-121535
Clc1cc(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)ccc1Cl	PC-id_3878942	394.318	ZRNHESMLIHOOII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121536
Clc1c([C@@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)ccc(Cl)c1	PC-id_9254412	394.318	YQRMBHKHVGSCIG-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-121537
Clc1c([C@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)ccc(Cl)c1	PC-id_9254416	394.318	YQRMBHKHVGSCIG-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121538
Clc1c(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)cccc1Cl	PC-id_2698668	394.318	GSIBUZOSFQAPDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121539
Clc1c(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)ccc(Cl)c1	PC-id_2699373	394.318	FTNFFFYNVLOCLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121540
Clc1c(C(NCC(=O)Nc2sc3CCCc3c2C#N)C)ccc(Cl)c1	PC-id_4828233	394.318	YQRMBHKHVGSCIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121541
Cn1c(cc(n1)C(F)(F)F)c1c(cc(cc1)NC(=O)c1nnc2n1CCC2)F	SCHEMBL14887571,PC-id_89520406	394.326	CWGLWGCYEIEBCI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121542
NCc1sc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Br	PC-id_106053397	394.331	WTGKPVIGIQGKIJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-121543
CCOC(=O)C(=O)c1c2C[C@H](Cn2c(c1C)C(=O)Nc1cc(c(cc1)F)F)F	SCHEMBL19920707,PC-id_134302988	394.344	OYIJMYIIXOBKBW-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121544
COC(=O)C(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)C(F)F)F	SCHEMBL21296708,PC-id_139434872	394.344	AUHQXALNGNLJDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121545
O=C1NCCN(C1)c1ccc(cc1NC(=O)N1CCn2c1ncc2)C(F)(F)F	EMOLS-id_320015156,MCULE-2865622480	394.351	NEWFHLNFMHFCQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121546
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(cccc1)C(F)(F)F)C#N	PC-id_7838183	394.368	CECGUFHGYZCYQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121547
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)C(F)(F)F)C#N	PC-id_7838360	394.368	UKGIFTYIAQBVKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121548
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(ccc1)C(F)(F)F)C#N	PC-id_7838823	394.368	OFFHQZUKBRMSNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121549
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2NCCn2nc1C(CO)(F)F	SCHEMBL18758626,PC-id_137179078	394.373	FMMKLVCKMKRVAR-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-121550
O=C(N1CCn2c1ncc2)Nc1nnc(s1)Cc1ccc(cc1)C(F)(F)F	EMOLS-id_316782346	394.374	DHIJODATQBTANJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121551
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])ccc(F)c1)C(=O)OC	PC-id_41500477	394.374	VECRPOWRKUKAAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121552
Fc1ccc(cc1)/C=C/c1nc2n(n1)c(=O)/c(=C/c1cccc(c1)[N+](=O)[O-])/s2	EMOLS-id_26346086,ZINC22_5161783,STOCK4S-63340	394.379	JYSUFUBSLMONOK-SAEKGINCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121553
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)C=Cc1ccc(cc1)F	MCULE-6478944146	394.379	SKXOCFIMTUFULB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121554
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)C=Cc1ccc(cc1)F	MCULE-8935493250	394.379	JYSUFUBSLMONOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121555
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)C=Cc1ccc(cc1)F	MCULE-9424443581	394.379	JJDLRXADFCQUEM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121556
FC(F)(F)C1(CC1)c1ccc(OCC2Oc3n(C2)c(c(n3)C(=O)C)CC)cc1	PC-id_78098315	394.388	JTRSIPWKZXOTAE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-121557
FC(F)(F)C1(CC1)c1ccc(OC[C@H]2Oc3n(C2)c(c(n3)C(=O)C)CC)cc1	PC-id_71525412	394.388	JTRSIPWKZXOTAE-HNNXBMFYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-121558
[Se](CC1N(c2c(scc2)C1)C(=O)OC(C)(C)C)c1ccccc1	PC-id_10739387	394.39	XHEBMEONNRTQKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121559
O=C(COC(=O)c1cc2c(s1)CCC2)NCC(=O)Nc1ccc(F)c(F)c1	EMOLS-id_44517333,PC-id_34525570,ZINC22_27207268,MCULE-7781908712	394.392	MSQSDXFSUJNNSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121560
s1c2c(CCC2)c(c1NC(=O)c1c(F)cccc1F)C(=O)NC(=O)OCC	PC-id_7521553	394.392	IITPQJNOQQBWCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121561
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(F)cc(F)c1)C)C(=O)N	PC-id_8728552	394.392	CIARSJXWBPXNHU-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121562
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(F)cc(F)c1)C)C(=O)N	PC-id_8728557	394.392	CIARSJXWBPXNHU-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121563
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(F)cc(F)c1)C)C(=O)N	PC-id_84823420	394.392	CIARSJXWBPXNHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121564
FC(F)(F)c1cc(NC(=O)NCc2n3CCCc3nn2)c(N2CCCC2)cc1	PC-id_60448625	394.394	VYRNAKMVRIOEJP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121565
C1Cc2nnc(n2C1C(=O)NCc1ccc(cc1)F)CNC(=O)c1cnccc1	PC-id_134788304	394.402	OGMNGZXSVDGAOZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-121566
Fc1cc(NC(=O)c2cc(NC(=O)NCc3n4CCCc4nn3)ccc2)ccc1	PC-id_60488582	394.402	SVXFKYHPFMWVET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121567
Cc1ccc(OCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324866568	394.404	IAZRSLLNTPASHH-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121568
Cc1ccc(OCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324866571	394.404	JSRSUGQBVHNQBA-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121569
Cc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324869634	394.404	TWXFNHRTNFRUAD-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121570
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCOc1ccccc1	MCULE-2024496546	394.404	DSIOZBAKVJJTKD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121571
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCOc1ccccc1	MCULE-3498408157	394.404	UJAUHYIFSWZLLA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121572
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCOc1ccccc1	MCULE-6956265023	394.404	SQFNCUHXBGODKD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121573
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1ccc(cc1)C	MCULE-4878741794	394.404	JSRSUGQBVHNQBA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121574
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1ccc(cc1)C	MCULE-6017244281	394.404	IAZRSLLNTPASHH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121575
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1ccc(cc1)C	MCULE-9403719361	394.404	TWXFNHRTNFRUAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121576
O=C(Nc1sc2c(c1C(=O)c1cccnc1)CCC2)c1ccc([N+](=O)[O-])cn1	ZINC22_546713900,EMOLS-id_320354876,MCULE-9483363726,PC-id_145893305	394.404	HJYIPBSIMIBACC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121577
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324852466	394.404	SQFNCUHXBGODKD-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121578
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324847354	394.404	UJAUHYIFSWZLLA-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121579
[O-][N+](=O)c1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324848383	394.404	DSIOZBAKVJJTKD-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121580
c1(NC(=O)COC(=O)c2cccc(c2)n2cnnn2)sc2c(CCC2)c1C#N	MCULE-2503916744,EMOLS-id_320710459	394.407	DJDSQBCRYBYVLK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121581
N#Cc1c(NC(=O)COC(=O)c2ccc(n3cnnn3)cc2)sc2c1CCC2	ZINC22_7787071,CoCoCo_3132769,EMOLS-id_43788805,PC-id_8902808,MCULE-8438890533	394.407	ROLCLDNYWKRGEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121582
CCNC(=NCc1cc(OC)ccc1OC(F)F)NCc1nnc2n1CCC2	PC-id_109672789	394.419	GOYBTQCHUPJWDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121583
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)OC(F)F)O	PC-id_109494737	394.419	IHPXUZVRZNJNIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121584
CCOc1cccc(c1OC(F)F)CNC(=NC)NCc1nnc2n1CCC2	PC-id_109662639	394.419	YIYAKVROBWIFCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121585
CC(=O)Nc1cc(N=c2snc3n2CC(C3)(C)C)c(cc1OCC(=O)O)F	PC-id_141799057	394.421	HEZCMZOIKKKUPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121586
COc1ccc(F)cc1S(=O)(=O)N1Cc2c(C1)n(C)nc2C(=O)NC1CC1	EMOLS-id_207862890,MCULE-8401018496	394.421	NVVMPGYPDGICGZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-121587
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3)F)n2)C)sc2c(CCC2)c1C#N	MCULE-7503648829,EMOLS-id_322821673	394.422	APJJSKYWFSWGDC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121588
Cc1cc(=O)c(nn1c1ccccc1F)C(=O)Nc1sc2CCCc2c1C#N	MCULE-4168750147,EMOLS-id_322821417	394.422	KZPICWQQMFMHNC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121589
c1(C(=O)NCCOc2ccccc2OC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-2791753564,EMOLS-id_316327220	394.424	MTBWRAMWNSPEHY-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-121590
COc1ccccc1OCCNC(=O)c1cc2n(n1)CC(C2)Oc1ccncc1	MCULE-3333607780	394.424	MTBWRAMWNSPEHY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-121591
COc1ccc(CNC(=O)c2cc3C[C@@H](Cn3n2)Oc2ccncc2)c(OC)c1	EMOLS-id_316342096,MCULE-2963445452	394.424	MBAWTNFSGKSSAI-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-121592
O1[C@@](CN2CCC(N3CCN(CC3)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5542238,PC-id_69481307	394.426	UOLWXAQVWHLKEI-KRWDZBQOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121593
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)Cc1cc(ccc1)C(F)(F)F	PC-id_9474408	394.454	MTLBUHFPXICZEY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121632
O1C(CN2CCC(N3CCN(CC3)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5542244,PC-id_69481308	394.426	UOLWXAQVWHLKEI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121594
O1[C@@](CN2CCN(C3CCN(CC3)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5537575,PC-id_69479855	394.426	QDWBVENRZQAZKL-KRWDZBQOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121595
O1C(CN2CCN(C3CCN(CC3)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5537576,PC-id_69479856	394.426	QDWBVENRZQAZKL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121596
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)Cc1c(C)noc1C	EMOLS-id_207863302,MCULE-9355991375	394.427	CHLLVMZVDHWWCN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121597
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)Cc3c(C)noc3C)Cc12	MCULE-7076249057,EMOLS-id_316321598	394.427	LKWITFNTKAJEGA-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121598
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1	ZINC22_40092655,EMOLS-id_30252449,PC-id_45887280,MCULE-1036438506	394.427	FRAFRHXVZZKADM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121599
N#CCCN(c1ccc(c(c1)NC(=O)OC)N=C1C(=Nn2c1nc(n2)C)C)CC	PC-id_102010486	394.43	CBDCJQKJSJGQGX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-121600
c1(CN2CCCC(COc3ncccc3C(F)(F)F)C2)c2CCCc2nn1C	MCULE-6926572685,EMOLS-id_317461855	394.434	KJGVHNKWVFBQKL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-121601
Cn1nc2c(c1CN1CCC[C@H](COc3ncccc3C(F)(F)F)C1)CCC2	ZINC22_1776000787	394.434	KJGVHNKWVFBQKL-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-121602
Cn1nc2c(c1CN1CCC[C@@H](COc3ncccc3C(F)(F)F)C1)CCC2	ZINC22_1776000788	394.434	KJGVHNKWVFBQKL-CQSZACIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-121603
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(cc1)C(F)(F)F)C)C#N	PC-id_8111113	394.434	OKCXEUOYJJRHFR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121604
c1(NC(=O)c2ccc(cc2F)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389268,MCULE-1776030994	394.436	GFPQMDJDUAHHCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121605
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387995,MCULE-8973180581	394.436	CVOUYTDUFRNMRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121606
COC(=O)c1c(NC(=O)CNC(c2ccc(c(c2)F)F)C)sc2c1CCC2	MCULE-4098515063,PC-id_16382153,EMOLS-id_11846673	394.436	RHZOCEDKSPGGGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121607
COC(=O)c1c(NC(=O)CNC(c2ccc(cc2F)F)C)sc2c1CCC2	PC-id_16382463,EMOLS-id_11847429,MCULE-5280187860	394.436	AOVQUGFFPXRROJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121608
COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccc(F)cc2F)sc2c1CCC2	CoCoCo_3595012,ZINC22_57315199,PC-id_40986114	394.436	AOVQUGFFPXRROJ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-121609
COC(=O)c1c(NC(=O)CN[C@H](C)c2ccc(F)cc2F)sc2c1CCC2	PC-id_40986117,ZINC22_57315200,CoCoCo_3595011	394.436	AOVQUGFFPXRROJ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121610
COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)sc2c1CCC2	ZINC22_57315231,PC-id_40987643,CoCoCo_3595438	394.436	RHZOCEDKSPGGGU-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-121611
COC(=O)c1c(NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)sc2c1CCC2	ZINC22_57315232,PC-id_40987645,CoCoCo_3595437	394.436	RHZOCEDKSPGGGU-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121612
CN=C(NCc1nnc2n1CCC2)NCCC(c1cccc(c1)C(F)(F)F)C	PC-id_111711649	394.437	VVZJJSLVNHFICT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121613
c1(C(F)F)c2CCCc2n(CC(=O)N(CC=C)c2nc(c(C(=O)C)s2)C)n1	EMOLS-id_8867966,PC-id_19591212,MCULE-8799107374,TIMTEC127897,ZINC22_36614181	394.439	DOIGUABICVZRCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121614
c1(NC(=O)C(=O)NCc2c(cccc2F)F)c2CSCc2nn1C(C)(C)C	PC-id_7685557,ZINC22_5438322,CoCoCo_5184724,EMOLS-id_5617930,MCULE-2633289800	394.439	BPWZEEFXLTWQKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121615
Cc1nc(CNCc2nc3c(n2Cc2ccc(cc2)F)CCC3)cc(c1)C(=O)O	PC-id_121269261,SCHEMBL17670438	394.442	SIAWGNDEWNQCOB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-121616
COC(=O)c1c(sc2c1CCC2)NC(=O)c1cc(ccc1)Oc1ccccn1	PC-id_90596750	394.444	FQUFFBPVAGXCKM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-121617
c1(NC(=O)C(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCC2)c1C(=O)N	MCULE-3190233195,EMOLS-id_4737198,PC-id_8034561,ZINC22_6669448,STOCK6S-08359	394.445	VBKLOWKVBMSMFU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121618
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)C(=O)C(=O)OCC	EMOLS-id_4762975,MCULE-2981191227,ZINC22_9304904,PC-id_17587751,STOCK6S-24805	394.445	SSRJOXUPQOKPEW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121619
COCCNC(=O)c1cc2C[C@@H](Cn2n1)NS(=O)(=O)c1cccc(OC)c1	MCULE-2613415568,EMOLS-id_316330300	394.445	PTJWEVBEYAZFNL-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121620
S(=O)(=O)(c1cccc(OC)c1)NC1Cc2n(nc(C(=O)NCCOC)c2)C1	MCULE-3615885837	394.445	PTJWEVBEYAZFNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121621
c12nc(sc1CN(Cc1ccccc1)C2=O)NC(=O)Nc1cccc(OC)c1	MCULE-9852928886,PC-id_53188470,EMOLS-id_33030404	394.447	VNPQIWUDQKCUOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121622
COc1ccccc1NC(=O)Nc1sc2c(n1)C(=O)N(C2)Cc1ccccc1	PC-id_53188471,MCULE-9028293608,EMOLS-id_33030406	394.447	GWKKTVFTMFIWHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121623
O=C(N1Cc2c(C1)c(nn2C(=O)C)NC(=O)c1ccccc1)Cc1cccs1	PC-id_141417092	394.447	QSGKFXOKNQSKLW-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121624
s1c2CCCc2cc1C(=O)NNC(=O)c1nn(c(cc1=O)C)c1ccccc1	PC-id_27684798	394.447	USMWVJGQOFYHQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121625
S1C(CC(=O)Nc2ccccc2)C(=O)n2nc(nc12)COc1ccc(cc1)C	PC-id_46872013	394.447	ZMSCGYQEKWFRAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121626
O=C(NCCc1nnc2n1CCC2)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1	EMOLS-id_320278243,ZINC22_58405579,MCULE-1253362199,PC-id_51114970	394.449	WAGKLNYSCBSVRA-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-121627
S(=O)(=O)(N(CC)CC)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590556	394.449	CVNLRYGXNMNQJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121628
S(=O)(=O)(NC(C)(C)C)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590573	394.449	DXTODTWYKDCQKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121629
S1Cc2c(nn(c2NC(=O)c2nccnc2)CC(=O)NCc2ccccc2)C1	PC-id_44053373	394.45	HSMXSBMXSCSDTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121630
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc2c(s1)CCC2	MCULE-3533701091,EMOLS-id_43805394,CoCoCo_3193293,PC-id_2348972,ZINC22_3230857	394.454	OHLLSROOAIGZNL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-121631
[n+]12N=C(C(C)(C)C)/C(=N/N=c/n(n(c(n3)C#N)C#N)C)/c1n(nc2C(C)C)CC	PC-id_59650254	394.457	OCNIPPAGUYENRB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-121633
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCCc1ccccc1	PC-id_97442328,ZINC22_96146801,EMOLS-id_44303576	394.462	XMBPLYFURWTXKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121634
s1c2c(CCC2)c(c1NC(=O)c1c(F)cccc1)C(=O)NCc1ccccc1	PC-id_53297838	394.462	NVWLGSLOIJTERR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121635
COC([C@@H](C(=O)[O-])Oc1sc2c(n1)CCC2)(c1ccccc1)c1ccccc1	GLL_PC-id_44214873	394.463	SNDUECDSUSTACS-LJQANCHMSA-M	00000010100000110001000010000000000000000000000000000000	25-01-121636
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)NC1CCS(=O)(=O)C1	MCULE-8832476686,SPECS-id_AS-871/43477506,EMOLS-id_10107425,PC-id_17013803,TIMTEC463843	394.465	SZEYKQCAPIOCIS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-121637
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1sc(nc1C)C)C(=O)OC	PC-id_16644293,EMOLS-id_17282840,MCULE-5138360181	394.465	HQKSMZZFTSCYQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121638
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	CoCoCo_2590332,EMOLS-id_16349235,PC-id_18586163,ZINC22_10219319,MCULE-6746928810	394.465	HOTGOVHMNHTGPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121639
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)OC(=O)c1sc2c(c1)CCC2	EMOLS-id_33774189,PC-id_16505625,MCULE-8428662572	394.465	POXPAOHMZYLGBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121640
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(S(=O)(=O)N)cc1	PC-id_7238841,ZINC22_4462338	394.465	POXPAOHMZYLGBF-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-121641
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(S(=O)(=O)N)cc1	ZINC22_4462340,PC-id_7238843	394.465	POXPAOHMZYLGBF-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121642
CCOC(=O)c1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_8474056,EMOLS-id_16713045,MCULE-8451921797,CoCoCo_3532697	394.465	FQFQOMOQLBRKEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121643
CCOC(=O)n1nc2c(c1NC(=O)C(C)C)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1205735,PC-id_58015694	394.465	IFWXGFHPGFUYOQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121644
COC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)C)sc2c1CCC2	ZINC22_408609560	394.465	PDFHBQHIIAFQQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121645
COC(=O)c1c(NC(=O)c2ccc(NS(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408611231	394.465	SMNUFXALUKVOOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121646
COC(=O)c1c(NC(=O)c2sc(C)nc2C)sc2c1[C@@H](C(=O)OC)CC2	PC-id_35756072,ZINC22_28540133,CoCoCo_6604707	394.465	HQKSMZZFTSCYQT-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-121647
COC(=O)c1c(NC(=O)c2sc(C)nc2C)sc2c1[C@H](C(=O)OC)CC2	ZINC22_28540129,CoCoCo_6604708,PC-id_35756071	394.465	HQKSMZZFTSCYQT-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121648
COC(=O)c1c(NS(=O)(=O)c2ccc(NC(=O)C)cc2)sc2c1CCC2	CoCoCo_5979855,ZINC22_6706614,PC-id_4590480	394.465	KJFWGQONBCIICR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121649
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1cc(cc(c1C)C)C(=O)O	MCULE-5178301089,PC-id_24449575,CoCoCo_3840042,EMOLS-id_29959134	394.465	YULJAHFLYBWRKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121650
O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1ccco1	CoCoCo_6331285,ZINC22_27664608,PC-id_35043985	394.465	SZEYKQCAPIOCIS-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-121651
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccco1	PC-id_35043984,CoCoCo_6331284,ZINC22_27664607	394.465	SZEYKQCAPIOCIS-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-121652
s1c2CCCc2cc1C(=O)Nc1ccc(S(=O)(=O)NCC(=O)OC)cc1	PC-id_8131849	394.465	OMOHSZCEXJEUED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121653
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1ccc(CCC(=O)O)cc1	PC-id_24449576	394.465	BTKITNRVKHATQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121654
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1cc(S(=O)(=O)N)ccc1)C	PC-id_46629518	394.465	BLRFITUUSAYESA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121655
s1c2CCCc2cc1C(=O)OCC(=O)Nc1scc(n1)CC(=O)OCC	PC-id_7623690	394.465	WGYGJFWAFUBZED-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121656
s1c2CCCc2cc1C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N)cc1	PC-id_45637974	394.465	FFBWDUNMXOGILX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121657
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(S(=O)(=O)N)ccc1)C	PC-id_8359093	394.465	BLRFITUUSAYESA-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-121658
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(S(=O)(=O)N)ccc1)C	PC-id_8359094	394.465	BLRFITUUSAYESA-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121659
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(nc1C)C)C(=O)OC	PC-id_16519556	394.465	PBKHBYKTRLZTCF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121660
s1c2c(CCC2)c(c1NS(=O)(=O)c1ccc(cc1)C(=O)OCC)C(=O)N	PC-id_2365930	394.465	SQVLHFHSPXXMKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121661
c1(CN(Cc2ccco2)C(=O)Nc2ccccc2OCC)c2CCCc2n(C)n1	MCULE-9581246323,PC-id_86266543,EMOLS-id_50145260	394.467	QIKWWGXALZLNLV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121662
c1(CN(Cc2ccco2)C(=O)NCc2ccc(OC)cc2)c2CCCc2n(C)n1	MCULE-1393423564,EMOLS-id_50145264,PC-id_86266545	394.467	IESUPSXAVVUCAL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121663
CCCN1Cc2c(C1=O)c(c([nH]2)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1)C	PC-id_58328182,SCHEMBL10090824	394.467	BVZZFJSPOMYFSH-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-121664
CCOc1ccc(cc1)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109571	394.467	UDMZEGOWRDJXBS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-121665
O=C(N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)C)C1CCC(CC1)C	PC-id_71451355	394.467	SFLPBBZZVIVSMD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121666
O=C1N(c2n(C1(Cc1ccc(cc1)c1ccccc1)C)ccn2)Cc1ncccc1	PC-id_74222073	394.468	KRPRILBWIRQCOT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-121667
O=C(c1ccc(cc1)c1ccccc1)Nc1[nH]nc2c1CN(C2)Cc1ccccc1	SCHEMBL2922877,PC-id_68442186	394.468	DXLBJQPACZOFNH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121668
c1(NC(=O)CSc2[nH]c(=O)cc(N)n2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2216627,EMOLS-id_8849723,STOCK3S-87853,TOSLab_17106,PC-id_135406763,EMOLS-id_30364813,ChEMBL-DNDi_CHEMBL7508309,CoCoCo_5882809,MCULE-7958956227,SPECS-id_AF-399/41945530,ZINC22_18093987,SCHEMBL822690,CoCoCo_938303	394.469	RTZDJJXXKGIHOB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121669
c1(NC(=O)CSc2nnc(c(=O)[nH]2)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_160332,CoCoCo_160333,CoCoCo_6601431,PC-id_135450658,CoCoCo_6601429,BAS-01043732,MCULE-8175591226,BindingDB_PC-id_651004,CoCoCo_6601430,ZINC22_18094053,ChEMBL-DNDi_CHEMBL1506237,BindingDB-id_112655,CHEMBL1506237,TIMTEC160854,EMOLS-id_1300731	394.469	FZCGHOPQGIPSSR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121670
CCOC(=O)c1c(NC(=O)CSC2=NC(=N)CC(=O)N2)sc2c1CCC2	PC-id_145919802	394.469	JGFOSOAMYFNUNQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-121671
s1c2CCCc2cc1C(=O)NNC(=O)CN(S(=O)(=O)c1cccnc1)C	PC-id_46491002	394.469	CKEYCZKQLYTGID-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121672
s1c2CCCc2cc1C(=O)NNC(=O)CSCC(=O)Nc1noc(c1)C	PC-id_26872579	394.469	KDKNQYIHVQVGEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121673
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1snnc1CC)C)C(=O)N	PC-id_8286007	394.469	PVDOIFAKHQLOTR-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121674
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1snnc1CC)C)C(=O)N	PC-id_8286011	394.469	PVDOIFAKHQLOTR-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121675
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1snnc1CC)C)C(=O)N	PC-id_78654510	394.469	PVDOIFAKHQLOTR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121676
c1(C(=O)N(CC)Cc2cn(nc2C)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316324668,MCULE-1598575747	394.47	XWHJFQJJAHVJJX-IBGZPJMESA-N	00000010100000101001000010000000000000000000000000000000	25-01-121677
c1(C(=O)N(CC)Cc2cn(nc2C)CC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-8377626340	394.47	XWHJFQJJAHVJJX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121678
S(C1=Nn2c(nnc2C)C1=NNc1snc(n1)C(C)C)CC(=O)OCC	PC-id_59696893	394.475	HKCINUYFWASREL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-121679
S(C(CC)C(=O)OCC)c1nc(sn1)N/N=C/1c2n(N=C1C)nc(n2)C	PC-id_59913526	394.475	HHQHPBYBSKFFNG-YVLHZVERSA-N	00000011100000000001000010000000000000000000000000000000	25-01-121680
S(C(CC)C(=O)OCC)c1nc(sn1)NN=C1c2n(N=C1C)nc(n2)C	PC-id_72594695	394.475	HHQHPBYBSKFFNG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-121681
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	PC-id_9156640,EMOLS-id_25025735,ZINC22_8026751,CoCoCo_3355912,MCULE-5794018354	394.483	AQQSCTFPCIRPAS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121682
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	CoCoCo_3308881,MCULE-3256402404,PC-id_2559938,ZINC22_3440063,EMOLS-id_3387943	394.483	GYCCVZHHPZSNLU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121683
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1c(F)cccc1	PC-id_8925254	394.483	QQDIUZBJQNDGBI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121684
CCOC(=O)c1c(NC(=O)CN2CCC(C(=O)OC)CC2)sc2c1CCC2	ZINC22_3322299,CoCoCo_3573579,CoCoCo_3573578,MCULE-8468962333,EMOLS-id_3122028,PC-id_2437768	394.485	YFYILAPEMJFTAQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121685
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)OCC)C(=O)OC	PC-id_24427696	394.485	KFSHRUJVVXDJQQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121686
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)OCC)C(=O)OC	PC-id_40630269	394.485	LXMBEXVYKOQRPS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121687
s1c2c(CCC2)c(c1NC(=O)CN1C[C@@H](CCC1)C(=O)OCC)C(=O)OC	PC-id_51423596	394.485	KFSHRUJVVXDJQQ-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121688
s1c2c(CCC2)c(c1NC(=O)CN1C[C@H](CCC1)C(=O)OCC)C(=O)OC	PC-id_51423600	394.485	KFSHRUJVVXDJQQ-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121689
Brc1cc(S(=O)(=O)Nc2sc3CCCc3n2)c(Cl)nc1	PC-id_61072806	394.695	SXVXZMQEJGHFNO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121809
c1(NC(=O)c2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9441430118,EMOLS-id_334340258	394.487	CBXNPIZYTHMWIJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-121690
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8692056014,EMOLS-id_334336685	394.487	MCEMQOOAWRMHAG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-121691
c1(NC(=O)c2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337196,MCULE-9569176730	394.487	ABNQAQMOLWFVBZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-121692
c1(NC(=O)Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339758,MCULE-4856413276	394.487	XVRPOCDLABGNAG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-121693
c1(NC(=O)C(=Cc2ccc(cc2)C(C)C)C#N)sc2c(CCC2)c1C(=O)OC	MCULE-8170761518,PC-id_1186624	394.487	YAPSGJVACVFUAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121694
c1(NC(=O)C(C)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339502,MCULE-2996796070	394.487	FIGWFIAXOWNISZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-121695
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8980876857,EMOLS-id_334337197	394.487	BIQMQYDISWIROL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-121696
COC(=O)c1c(NC(=O)/C(=C/c2ccc(cc2)C(C)C)/C#N)sc2CCCc12	CoCoCo_5838595,EMOLS-id_26500945,PC-id_1186623	394.487	YAPSGJVACVFUAE-LFIBNONCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121697
COC(=O)c1c(NC(=O)/C(=Cc2ccc(cc2)C(C)C)/C#N)sc2CCCc12	CoCoCo_5838596,STOCK3S-22364,EMOLS-id_26298202	394.487	YAPSGJVACVFUAE-WJDWOHSUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121698
s1c2CCCc2c(c1NC(=O)COC(=O)C1(CCCC1)c1ccccc1)C#N	PC-id_8610670	394.487	OTPAKNHYMJWPDD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-121699
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1)C#N	PC-id_1662530	394.487	GPTVQYUKSQWIQC-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121700
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(C(C)C)cc1)C#N	PC-id_4523924	394.487	GPTVQYUKSQWIQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121701
CC1CCC(CC1)N1CC(CC1=O)C(=O)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_112057266	394.488	RHVUJVWMDHFEFU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121702
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)C(=O)OCC)C)C(=O)N	PC-id_9431211	394.488	IXMLUZFXFSLUMO-NSHDSACASA-N	00000010100010000001000010000000000000000000000000000000	25-01-121703
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)C(=O)OCC)C)C(=O)N	PC-id_9431213	394.488	IXMLUZFXFSLUMO-LLVKDONJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121704
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)OCC)C)C(=O)N	PC-id_46631172	394.488	IXMLUZFXFSLUMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121705
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCC(CC1)C(=O)OC	PC-id_7685569	394.488	WHVJAUKUDFKLNF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121706
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218548,PC-id_2448094,MCULE-6045004289,ZINC22_3332012,EMOLS-id_3349300	394.49	BBODSNIYCIMKPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121707
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1nnc(C2CCCO2)s1	EMOLS-id_328222329,MCULE-1633352875	394.49	IANTVNUESBAXSE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121708
N#Cc1c(NC(=O)CCN2CC(=O)NCC2c2ccccc2)sc2c1CCC2	EMOLS-id_319797342	394.49	UIEOWUDOPZHTED-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121709
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1cscc1	SCHEMBL2922301,PC-id_10135268	394.49	KWQOSOGPRHUQPD-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121710
O=C(Cc1cccs1)NCC1CCc2ncc(C(=O)NCc3ccccc3)n12	EMOLS-id_55740648	394.49	CGXLAZSIFXXBAT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121711
O=C(Cc1cccs1)NC[C@@H]1CCc2ncc(C(=O)NCc3ccccc3)n12	ZINC22_306125097	394.49	CGXLAZSIFXXBAT-INIZCTEOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121712
O=C(Cc1cccs1)NC[C@H]1CCc2ncc(C(=O)NCc3ccccc3)n12	ZINC22_306125098	394.49	CGXLAZSIFXXBAT-MRXNPFEDSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121713
O=C(Nc1[nH]nc2c1CN(C2)C(c1ccccc1)C)CCC(=O)c1cccs1	SCHEMBL2922476,PC-id_68441999	394.49	JTNBBPLFRGKUSD-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121714
O=C(Nc1[nH]nc2c1CN(C2(C)C)C(=O)Cc1cccs1)Cc1ccccc1	PC-id_68441875,SCHEMBL2922176	394.49	TWHHAJYQOLNRHM-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121715
O=C(Nc1n[nH]c2c1CN(C2)CCc1ccccc1)CCC(=O)c1cccs1	PC-id_68442002,SCHEMBL2922481	394.49	AHCOFXXHJMPTKT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121716
O=C(Nn1ncc2c1C(C)(C)N(C2)C(=O)Cc1cccs1)Cc1ccccc1	PC-id_139982973	394.49	RRPUYHUGADHJJX-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121717
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1ccccc1)C#N	PC-id_9223680	394.49	HVZNBXJNYALLMM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121718
s1c2c(CCC2)c(c1NC(=O)CN1C(NC(CC1=O)c1ccccc1)C)C#N	PC-id_78535845	394.49	KZGNKJKAHUKKEC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121719
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)CC(=O)Nc1nccs1	EMOLS-id_186584153,MCULE-6625059598	394.492	ZAARACOIVIZSCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121720
O=S(=O)(c1cnc2n1CCC2)N1CCN(CC1)Cc1noc(n1)C(C)(C)C	EMOLS-id_100218457	394.492	BWRHFQSRDHFRDI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121721
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)Cc1nnnn1c1ccccc1	EMOLS-id_98242684	394.493	QFIZOUPJYYUZHZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121722
CCOC(=O)CCC1CCCN1C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6300283157,EMOLS-id_328343186	394.507	YCVOSXLZVXOHRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121723
CCC(N1Cc2c(S1(=O)=O)cc(s2)CN(Cc1ccccc1)C)C(=O)O	PC-id_70256107,SCHEMBL8018663	394.508	WAMLTZRXFUAZRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121724
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)c(OCC)cc1	PC-id_9470128	394.508	DMWHLCJMIOSFPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121725
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCC(CC1)C(=O)OCC)C)C(=O)N	PC-id_26371706	394.508	HSMWNHCLJPMJCX-NSHDSACASA-O	00000010100010000000000010000000000000000000000000000000	25-01-121726
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCC(CC1)C(=O)OCC)C)C(=O)N	PC-id_26371709	394.508	HSMWNHCLJPMJCX-LLVKDONJSA-O	00000010100010000000000010000000000000000000000000000000	25-01-121727
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1C[C@@H](CCC1)C(=O)OCC)C)C(=O)N	PC-id_9444766	394.508	XSEPTGGKMVKJPW-NWDGAFQWSA-O	00000010100010000000000010000000000000000000000000000000	25-01-121728
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1C[C@H](CCC1)C(=O)OCC)C)C(=O)N	PC-id_9444768	394.508	XSEPTGGKMVKJPW-RYUDHWBXSA-O	00000010100010000000000010000000000000000000000000000000	25-01-121729
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCC(CC1)C(=O)OCC)C)C(=O)N	PC-id_74502789	394.508	HSMWNHCLJPMJCX-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-121730
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CC(CCC1)C(=O)OCC)C)C(=O)N	PC-id_85010577	394.508	XSEPTGGKMVKJPW-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-121731
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N1CCCC1)C)C(=O)OCC	PC-id_38269233	394.508	JDUYXNUTMBXHFW-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-121732
s1c(NC(=O)[C@@H]([NH+]2C[C@H](CCC2)C2OCCO2)C)c(c2c1CCC2)C(=O)N	PC-id_52864466	394.508	PPZFIWYKUINOFW-RYUDHWBXSA-O	00000010100010000001100010000000000000000000000000000000	25-01-121733
s1c(NC(=O)[C@H]([NH+]2C[C@H](CCC2)C2OCCO2)C)c(c2c1CCC2)C(=O)N	PC-id_52864468	394.508	PPZFIWYKUINOFW-NEPJUHHUSA-O	00000010100010000001100010000000000000000000000000000000	25-01-121734
s1c(NC(=O)C([NH+]2CC(CCC2)C2OCCO2)C)c(c2c1CCC2)C(=O)N	PC-id_75946491	394.508	PPZFIWYKUINOFW-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-121735
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCC3CCCCC3)Cc12	EMOLS-id_316321589,MCULE-5197797111	394.51	HUAXQLPISTUHFT-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-121736
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCC3CCCCC3)Cc12	MCULE-4898275117	394.51	HUAXQLPISTUHFT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121737
CCc1ccc(cc1)CC(=O)N1CCC(CC1)N(C(=O)c1nn2c(c1)CCC2)C	EMOLS-id_317029723	394.51	RZBWHMWWEYKFNG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121738
CCCCn1c(C)c2c(c1C)C(=O)N(CN1CCN(c3ccccc3)CC1)C2=O	PC-id_101676817,CHEMBL4449466	394.51	DGCCBPKNZKALHP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121739
O=C(N(c1cccc(c1)N1CCCC1)C1CCCCCC1)c1nn2c(c1)OCC2	EMOLS-id_99752953	394.51	JLDPVIWLTZIHBY-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-121740
O(C(=O)c1c2n(nc1C)c(=Cc1c(cc(N(CCCC)CC)cc1)C)c(n2)C)C	PC-id_58753048	394.51	JRGYBGPMUIHAQR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121741
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CNS(=O)(=O)c2cccs2)C1	MCULE-3901653875,EMOLS-id_48440624,PC-id_72933154	394.512	GDGBNWMUWRKOJS-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121742
c1(NC(=O)CSc2nnc(C(C)C)n2C)sc2c(CCC2)c1C(=O)OC	MCULE-3357187545,TIMTEC584828,CoCoCo_6798557,ZINC22_17080670,EMOLS-id_4072929,PC-id_5179057	394.512	YYCUACQMJGNLLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121743
c1(NC(=O)NS(=O)(=O)c2ccc(cc2)C)c2CSCc2nn1C(C)(C)C	MCULE-2053070743,CoCoCo_6415083,PC-id_5065054,EMOLS-id_12055703,ZINC22_4077364,SCHEMBL4880539	394.512	KKAHNJZZQNVRMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121744
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c(C)s1	PC-id_138998658,MCULE-4519988311,EMOLS-id_110757922,ZINC22_299290740	394.512	TVZBDFCSSZIJDC-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121745
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CNC2C(C)C	PC-id_134170808,SCHEMBL19771976	394.512	VQKOXLAKIJHDJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121746
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN[C@H]2C(C)C	SCHEMBL16224724,PC-id_117688902	394.512	VQKOXLAKIJHDJZ-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121747
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1nc2c(s1)CN[C@H]2C(C)C	SCHEMBL16224812,PC-id_117688961	394.512	DFPZYICESNVYGT-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121748
Cn1nc2c(c1NC(=O)C1CCN(S(=O)(=O)c3cccs3)CC1)CCC2	PC-id_30859139,MCULE-3826573740,CoCoCo_5273027,ZINC22_23135704,EMOLS-id_24910424	394.512	ANYTWNPTVLBXEP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121749
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1	PC-id_97285332,ZINC22_95529289	394.512	GDGBNWMUWRKOJS-GFCCVEGCSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121750
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1	ZINC22_95529288,PC-id_97285331	394.512	GDGBNWMUWRKOJS-LBPRGKRZSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121751
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)S(=O)(=O)c1nc(n(c1)C)C	EMOLS-id_111643330	394.512	PYUBTPZKKZKZSZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121752
O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1n(C)nc2c1CCC2	CoCoCo_5273045	394.512	UZGYWDDPPSEOJP-AWEZNQCLSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121753
O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1n(C)nc2c1CCC2	CoCoCo_5273046	394.512	UZGYWDDPPSEOJP-CQSZACIVSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121754
O=C([C@@H]1CCCN(C1)S(=O)(=O)c1cccs1)Nc1n(C)nc2c1CCC2	CoCoCo_5273041,PC-id_30859170	394.512	VFOMGHLLNKUJJV-GFCCVEGCSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121755
O=C([C@H]1CCCN(C1)S(=O)(=O)c1cccs1)Nc1n(C)nc2c1CCC2	PC-id_30859173,CoCoCo_5273042	394.512	VFOMGHLLNKUJJV-LBPRGKRZSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121756
O=S(=O)(c1ccc(cc1)NCCc1cn2c(n1)SCC2)N1CCOCC1	EMOLS-id_279142361	394.512	HLXFOGBRPSCCPD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121757
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)C)C(=O)OC	PC-id_19715923	394.512	ZUGXCNJVUPTQKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121758
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C)C(=O)OC	PC-id_19716049	394.512	BCWYMBIWNSBBNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121759
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)cnn1)C(=O)OCC	PC-id_4819273	394.512	RAEXURWQIJNXKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121760
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)C)C(=O)OCC	PC-id_19715734	394.512	STCZVCGHWKDZGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121761
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)CCC)C(=O)OCC	PC-id_51308337	394.512	MCMMPSBDFRSWHX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121762
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC)C(=O)OC	PC-id_19716445	394.512	BWLWXIHVTFPGRD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121763
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC)C)C(=O)OCC	PC-id_19716335	394.512	NCBHXQZTMXQBEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121764
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1n(nc2c1CCC2)C)c1sccc1	PC-id_44062366	394.512	VFOMGHLLNKUJJV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121765
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1n(nc2c1CCC2)C)c1sccc1	PC-id_44062368	394.512	UZGYWDDPPSEOJP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121766
CCC(=O)N1CCC[C@@]2(CCc3c2nc(C)[nH]c3=NCc2n[nH]c3c2CCC3)C1	ZINC22_1875251371	394.513	CKEDUPURQFMIHP-JOCHJYFZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-121767
CCC(=O)N1CCC[C@]2(CCc3c2nc(C)[nH]c3=NCc2n[nH]c3c2CCC3)C1	ZINC22_1875251372	394.513	CKEDUPURQFMIHP-QFIPXVFZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-121768
N#Cc1c(NC(=O)CSc2nccn2Cc2ccccc2)sc2c1CCC2	EMOLS-id_11821301,ZINC22_9911158,MCULE-5017337377,CoCoCo_3118241,PC-id_16370835	394.513	IEURJZNOEVMHRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121769
O=C(c1cnn2c1CCC2)N1CCCC(C1)CN1CCN(CC1)c1ccccn1	MCULE-1906896806,EMOLS-id_316148526	394.513	RZCBXFWVUACCFB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-121770
O=C(c1cnn2c1CCC2)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	ZINC22_294627379	394.513	RZCBXFWVUACCFB-GOSISDBHSA-N	00000010100010101001100010000000000000000000000000000000	25-01-121771
O=C(c1cnn2c1CCC2)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	ZINC22_294627388	394.513	RZCBXFWVUACCFB-SFHVURJKSA-N	00000010100010101001100010000000000000000000000000000000	25-01-121772
s1c2CCCc2c(c1NC(=O)CSc1n(c2cc(ccc2)C)ccn1)C#N	PC-id_30828962	394.513	MYAMTCBNIBGLOF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121773
c1(NC(=O)C2(CCCCC2)Oc2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_322841008,MCULE-9946404482	394.53	IXLIBQLFGXUDCW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-121774
c1(NC(=O)C2(CCCCC2)Oc2cc(C)cc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_322841264,MCULE-5283819387	394.53	MNNHWSUABMBJGF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-121775
S1(=O)(=O)C(Cc2c1sc(CC(S(=O)(=O)N)(C)C)c2)(C)C(=O)NCC	PC-id_19759915	394.53	NIAFTIGQXWKIOV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121776
c1(NC(=O)C2CCC(CC2)CNC(=O)OC(C)(C)C)n(C)nc2CSCc12	EMOLS-id_303871599,ZINC22_1848442286,MCULE-8205791939	394.531	PEQPXNNVGAJFPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121777
c1(NC(=O)[C@H]2CC[C@@H](CC2)CNC(=O)OC(C)(C)C)n(C)nc2CSCc12	EMOLS-id_188946441,ZINC22_604419657,MCULE-3133445797,STOCK7S-68484	394.531	PEQPXNNVGAJFPR-JOCQHMNTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121778
O=C(Nc1sc2c(n1)C(CC2)(C)C)NCC1(CCOCC1)N1CCOCC1	EMOLS-id_102010884	394.531	YNHXZMDCBLANSH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121779
S1Cc2c(NC(=O)CCC3CCCCC3)n(nc2C1)CC(=O)NCCOC	PC-id_44052980	394.531	AHHUGAIOZJVSCU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-121780
CCC(CC)c1nnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	MCULE-6437319919,EMOLS-id_328220799	394.533	WQWZJKHUYBGXQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121781
N#Cc1c(NC(=O)C(N2CCC(CC2)Cc2cccnc2)C)sc2c1CCC2	EMOLS-id_98677467	394.533	JCVDTNPPJOXVNV-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-121782
N#Cc1c(NC(=O)C(N2CCCN(CC2)c2ccccc2)C)sc2c1CCC2	EMOLS-id_98089708	394.533	XHZLGYRKGWISSG-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-121783
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)CCc1cccs1	SCHEMBL2922242,PC-id_68441902	394.533	NDQKVDYHXFQMOA-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-121784
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)C#N	PC-id_24588567	394.533	DRYFWGYJZCJKDG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121785
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C#N	PC-id_8582969	394.533	UODZTSMRKKMFEV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121786
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CCC1)Cc1ccccc1)C#N	PC-id_16608533	394.533	AEOPTIBHTUDKRM-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-121787
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1ccccc1)c1sccc1)C#N	PC-id_84980608	394.533	CJKOEZLHKVTYGK-UHFFFAOYSA-O	00000010100100110000000010000000000000000000000000000000	25-01-121788
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1ccccc1)c1sccc1)C#N	PC-id_9320771	394.533	CJKOEZLHKVTYGK-FQEVSTJZSA-O	00000010100100110000000010000000000000000000000000000000	25-01-121789
s1c2CCCc2c(c1NC(=O)C[NH2+][C@H](c1ccccc1)c1sccc1)C#N	PC-id_9320784	394.533	CJKOEZLHKVTYGK-HXUWFJFHSA-O	00000010100100110000000010000000000000000000000000000000	25-01-121790
CSc1ccc(cc1)SN(C(=O)ON=C1n2ccnc2SC1(C)C)C	PC-id_54256948,SCHEMBL11192361	394.535	RASSGHXMDNKUTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121791
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC1CCCCC1)C(=O)OC	PC-id_4934310	394.551	RJJOUWIKHCACRS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121792
CCN1CCN(CCCNC(=O)c2cc3CCCc3n2Cc2ccccc2)CC1	MCULE-3823640426,EMOLS-id_328219504	394.553	BHZADJWRAUIMRE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121793
CCN(c1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)CC	PC-id_92109954	394.553	DJCJWVZPNBTUGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121794
CN1CCN(CCCCNC(=O)c2cc3CCCc3n2Cc2ccccc2)CC1	MCULE-4210825279,EMOLS-id_328215679	394.553	GTNSOMKHDDBOOO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121795
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Nc1ccc(cc1)C(C)(C)C	PC-id_92109985	394.553	XIGLJPYMIJQENM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121796
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)Cc1ccccc1)C#N	PC-id_30099985	394.553	VBQKVGTWOOQIQO-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-121797
s1c2c(CCC2)c(c1NC(=O)CC[NH+](CC1CCC1)Cc1ccccc1)C#N	PC-id_52759271	394.553	HSALPWNUNWCDHI-UHFFFAOYSA-O	00001010100000110000000010000000000000000000000000000000	25-01-121798
s1c(NC(=O)C[NH+](C2CC2)Cc2ccc(cc2)C(C)C)c(c2c1CCC2)C#N	PC-id_8915683	394.553	GHKLWYLZFFHLBQ-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-121799
c1(NC(=O)CCCCCCCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390547,MCULE-2788763221	394.571	CAQHJDPZYVDIEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121800
CCOC(=O)c1c(NC(=O)CCCCCCCCCCN)sc2CCCc12	MCULE-1233574208,EMOLS-id_327971167	394.571	BFBVRCVBDZQFAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121801
S1c2n(cc(n2)C(=O)CC2NC(=O)C2C(C(C)(C)C)CO[Si](C)C)CC1	PC-id_77338406	394.584	LEDPZIDLOAKIRY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-121802
S1c2n(cc(n2)C(=O)CC2NC(=O)C2C(O[Si](C)C)(C(C)(C)C)C)CC1	PC-id_77338405	394.584	FQUVLNVEKITIDM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-121803
S1c2n(cc(n2)C(=O)C[C@H]2NC(=O)[C@H]2[C@H](C(C)(C)C)CO[Si](C)C)CC1	PC-id_67699197	394.584	LEDPZIDLOAKIRY-JMSVASOKSA-N	00001010100000000001000010000000000000000000000000000000	25-01-121804
S1c2n(cc(n2)C(=O)C[C@H]2NC(=O)[C@@H]2[C@@](O[Si](C)C)(C(C)(C)C)C)CC1	PC-id_67699195	394.584	FQUVLNVEKITIDM-YRILPIOLSA-N	00001010100000000001000010000000000000000000000000000000	25-01-121805
s1c2c(CCC2)c(c1NC(=S)NC1CCC(C(C)(C)C)CC1)C(=O)OC	PC-id_17300421	394.594	WHRGIGZWLBOEBX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-121806
Clc1cc(c(cc1Br)F)S(=O)(=O)N1Cc2c(C1)cnn2C	MCULE-9336536945,EMOLS-id_316442136	394.647	XYHPFOIOVFVVCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121807
Fc1cc(Cl)c(c(c1)Br)S(=O)(=O)N1Cc2c(C1)cnn2C	EMOLS-id_316652872	394.647	QTAJELYOEQNGBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121808
CC[Si]1(CC[Si](N1CCCn1c(c2CCCc2c1O)O)(CC)CC)CC	PC-id_91388833	394.699	BDXZMWGLHRWUFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-121810
S1C(SC(C)C)c2c(c(sc2SC(C)C)SC(C)C)C1=S	PC-id_15147003	394.725	LFZPMLAFEKAIQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121811
c1(NC(NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_638808,BAS-00354978,TIMTEC163044,SPECS-id_AT-225/NB93177,MCULE-6199492931,PC-id_3101972	394.747	GBPDUCXPESBPNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121812
CC(C)CC(=O)N[C@@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl	CoCoCo_49066,ZINC22_4611122,PC-id_7302327	394.747	GBPDUCXPESBPNM-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121813
CC(C)CC(=O)N[C@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl	PC-id_7302326,ZINC22_4611121,CoCoCo_49067	394.747	GBPDUCXPESBPNM-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121814
Clc1cc(c(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1)C(F)(F)F	PC-id_16588368	394.8	TTYRVJODTFFRGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121815
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)F)CN(C2(C)C)CCl	PC-id_143492442	394.828	CILZOAUYQVUDGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121816
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	TIMTEC151853,CoCoCo_684907,MCULE-6171319662,EMOLS-id_2096769,PC-id_1219810,ZINC22_994691,ChEMBL-DNDi_CHEMBL5704127,SPECS-id_AK-968/11841453	394.829	FPBJEGNBWBZXLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121817
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL2159-0794,PC-id_1042638,CoCoCo_139474,BAS-00839473,EMOLS-id_1281368,ZINC22_715547,MCULE-1692774584,SPECS-id_AF-399/37112020	394.829	CPPCJGYJDUWXPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121818
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCC2)c1C(=O)OCC	ChemDIV2513-2707,PC-id_5235779,ZINC22_5193346,MCULE-9887200692,EMOLS-id_5363693,CoCoCo_1703162	394.829	MUKSGUOROZNQGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121819
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2091208,PC-id_1355293,CoCoCo_676099,MCULE-4898090784,ChEMBL-DNDi_CHEMBL5663454,ZINC22_1195545	394.829	DSZYUXQTZVHUIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121820
CC(C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-])OC(=O)c1sc2c(c1)CCC2	EMOLS-id_15240934,MCULE-3154489887,PC-id_3974379	394.829	NYCSQCJVRRWVKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121821
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	CoCoCo_2840840,PC-id_2561677,ZINC22_3441643	394.829	NYCSQCJVRRWVKT-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121822
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC22_3441641,CoCoCo_2840841,PC-id_2561675	394.829	NYCSQCJVRRWVKT-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-121823
CCOC(=O)c1c2CCCc2sc1NC(=O)c1cccc(c1Cl)[N+](=O)[O-]	MCULE-6913115692,EMOLS-id_328116385	394.829	HNPQJFPOHOXANR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121824
CCOC(=O)c1c2CCCc2sc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	PC-id_5016966,EMOLS-id_328028114,MCULE-8937303508	394.829	WXGMGAYDBSAZDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121825
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(O)cc1	PC-id_8604147	394.829	QAMSCGFKYMAOCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121826
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc([N+](=O)[O-])c1	PC-id_3965010	394.829	HHHUKBGCARKYMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121827
Clc1ncccc1C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_24363964	394.829	XMIXQANEECGSRZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121828
Clc1ncc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_41670810	394.829	JZVWPFILOKEGJN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121829
NC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)cc2O)sc2c1CCC2	MCULE-2981064799,EMOLS-id_33329506,ZINC22_7199551,PC-id_8307105	394.829	ALAHFRGAIFHDOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121830
NC(=O)c1c(NC(=O)COC(=O)c2ccc(O)c(Cl)c2)sc2c1CCC2	MCULE-7877851944,CoCoCo_3130760,EMOLS-id_3420309,PC-id_4847521,ZINC22_7653923	394.829	MKQDFVQRNZCBEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121831
COc1ccc(Cl)cc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31548374,PC-id_46861338,MCULE-3978681710	394.851	OQJXXPDSHAYYTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121832
COc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340526,ZINC22_51364575	394.851	OQJXXPDSHAYYTH-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121833
COc1ccc(Cl)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364576,PC-id_52340527	394.851	OQJXXPDSHAYYTH-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121834
COc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1Cl	PC-id_46861337,EMOLS-id_31548372,MCULE-1702894265	394.851	RLQUEMLASNUNPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121835
COc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1Cl	ZINC22_51364573,PC-id_52340524	394.851	RLQUEMLASNUNPC-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121836
COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1Cl	ZINC22_51364574,PC-id_52340525	394.851	RLQUEMLASNUNPC-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121837
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(cccc1C(=O)O)Cl	MCULE-8346091778,EMOLS-id_328222576	394.851	NREGRAZDXUWJPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121838
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(Cl)c(c1)C(=O)O	EMOLS-id_328219261,MCULE-1713771652	394.851	MUISPJQMWCKJJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121839
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(Cl)cc1C(=O)O	MCULE-6409041203,EMOLS-id_328223600	394.851	MLFVUVLNXVVRCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121840
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1	MCULE-7829877024,EMOLS-id_328220531	394.851	WXVQAEPTMUOUAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121841
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(Cl)ccc(c1)C(=O)O	MCULE-2670936598,EMOLS-id_328224371	394.851	FITNCPSNCHODAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121842
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cc(Cl)c(N)cc1OC	MCULE-3369030996,EMOLS-id_328060399	394.872	YTSSSZVFWGENIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121843
COc1cc(NC(=O)CNC(=O)c2cc3c(s2)CCC3)c(OC)cc1Cl	PC-id_146087125,EMOLS-id_324029954,MCULE-8460638987,ZINC22_1857531135	394.872	RTHBEZGUDOTMKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121844
N#Cc1c(NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3)o2)sc2c1CCC2	ZINC22_408629253	394.874	SFYIWIAEBDSQCB-PKNBQFBNSA-N	00000010101000110000100010000000000000000000000000000000	25-01-121845
c1(C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)Cl)c2CCCc2n[nH]1	ZINC22_95474650,EMOLS-id_49404007,MCULE-3198128297,PC-id_71703368,STOCK7S-41857,EMOLS-id_48565674	394.876	WMAUREVDNGZLFE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121846
c1(NC(=O)c2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCCOC	CoCoCo_5277584,ZINC22_23138989,PC-id_30862307,EMOLS-id_24913299,MCULE-1541983715	394.876	MLGIDLJRIHHSMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121847
c1(NC(=O)c2ccccc2Cl)c2CSCc2nn1CC(=O)NCCOC	ZINC22_44204207,PC-id_44052996,MCULE-2932714531,EMOLS-id_31212520	394.876	ZNUNYABQAZUPIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121848
Clc1ccc(c(c1)C(=O)N1CCCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100457092	394.876	UARNMZOHDMJGPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121849
Clc1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100201152	394.876	ZHRCKQAZPKIWGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121850
Clc1ccc(c(c1)NS(=O)(=O)c1cnc2n1CCC2)C(=O)N1CCCC1	EMOLS-id_100177991	394.876	ZLQBZNUKIAVBNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121851
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_101196309	394.876	VKCLTVACBKBDEY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121852
Clc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110315808	394.876	JAMJEQRLJAEJMT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121853
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)ccc1	PC-id_44052997	394.876	PGKKCCRYTXLNQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121854
O=C(c1cnn2c1CCC2)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl	EMOLS-id_101203938	394.876	MSFUASITDYLJCM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121855
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl	EMOLS-id_110340203	394.876	HCAIQZKJVRZERP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-121856
C1Cc2c(c(c(n2C1)C(=O)Nc1ccc(cc1)Cl)N=Cc1cccs1)C#N	PC-id_137639615,BindingDB_PC-id_137639615	394.877	LDZXPPRXMAXLIM-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-121857
c1(NC(=O)c2cnc(nc2C)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-6859563170,EMOLS-id_322820392	394.877	JROLJRQZSRHBQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121858
COc1cc(Cl)c(C)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328219260,MCULE-9949795976	394.894	ZRKAJAVBJNVOAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121859
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC(O)c1ccc(cc1)Cl	EMOLS-id_328213622,MCULE-7910625912	394.894	GJXDFWRTHSCFRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121860
Clc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1sc2CCCc2c1C#N	MCULE-8042030754,EMOLS-id_322818857	394.896	AOFRSQPSYQJZHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121861
Clc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_4940402	394.896	IEWMMHAKSSXWLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121862
Clc1ccc(cc1)N1CCN(C(C1)(C)C)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100596748	394.919	JRNIFHHKSZCXSF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121863
c1(NC(=O)CCCSc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	CoCoCo_2590325,EMOLS-id_16349221,ChEMBL-DNDi_CHEMBLF2813-0871,PC-id_22582907,MCULE-5202502730,ZINC22_15822887	394.939	NRQUWWIFDCCJPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121864
Clc1ccc(CCNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_19649664	394.939	DNPJYFNGHIKQJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121865
Clc1cc(CCNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_17300445	394.939	GJNRKLNCSLUJTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121866
Clc1c(c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1)C	PC-id_8729339	394.939	GBVUBTVVTDCZLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121867
Clc1c(C(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_55352302	394.939	UADXOAYHUIXITO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121868
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(cc(c1)C)C	PC-id_8417679	394.939	KRLFPROUJZHSQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121869
Clc1nc(sc1C=NNC(=O)c1sc2CCCc2c1)N1CCCCC1	PC-id_84958170	394.942	SEMMKALSNPBYAL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121870
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)C	PC-id_78141113	395.044	VMJZGFIGIUEQBS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121871
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)C	PC-id_71658028	395.044	VMJZGFIGIUEQBS-PAWACCKXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121872
CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)CC=C2)CC(=O)O	PC-id_153293621	395.05	AEGYVVYGGVVNMW-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-121873
CC(C)NC(=O)NC1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)Cl	PC-id_162017124	395.092	DVDNAMLLWMATAT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121874
CCCCCCN1C(=O)c2c(Br)sc(Br)c2C1=O	EMOLS-id_46023732,PC-id_71607409,SCHEMBL15979461,MCULE-7393740323	395.11	JEPHHCAUUATEBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121875
CCC(NC(=O)c1sc2c(c1)CCC2)(CBr)CBr	PC-id_114010927	395.153	FILIGQTZOIIOQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121876
COC(=O)C1=CC2=C(N1C(=O)O)CCC2CC3=CC(=CC=C3)C#C[Si](C)(C)C	PC-id_154398565	395.155	QSYDIKNXLIVCFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121877
CC(CC1=C(C(=C2N1CC(C2)OC(=O)C)C(=O)OC)C(=O)OC)CC(=O)OC	PC-id_165367651	395.158	RXFNRBGASQAXAI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121878
CCCC[Sn](c1cnc2n1CC=C2)(CCCC)CCCC	PC-id_67939140,SCHEMBL9840206	395.161	PRGPNYUDASBXHV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-121879
COCCN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=CC=CC=C4F)N)C=N1	PC-id_161479984	395.176	WCIQQVPGXOIZGE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-121880
COCCN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=CC=CC=C4F)N	PC-id_161137807	395.176	WKOLERSNLXNODE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-121881
Brc1sc(Br)c2CN(CCCCCCCC)Cc12	PC-id_86003747	395.196	VRJAOJXDXOOXCM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121882
c12CN(Cc1sc(C(=O)O)c2I)C(=O)OC(C)(C)C	EMOLS-id_95490875,MCULE-5228768026	395.213	NLRVLFVQBZMMES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121883
c12CN(Cc1sc(I)c2C(=O)O)C(=O)OC(C)(C)C	EMOLS-id_331065381,MCULE-3622611607	395.213	PAKFUVOXEIDRNU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121884
CC(C1=CC2=C(S1)CCC2CN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_155207296	395.213	CKUDNHCTTBTHLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121885
Brc1oc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8014095	395.228	ZNLALZQYULBRJB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-121886
Brc1c(F)cc(S(=O)(=O)Nc2sc3CCCc3n2)c(F)c1	PC-id_10178792,SCHEMBL3827041	395.243	DYLDOHUAPSUNMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121887
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)c(F)cc(F)c1	PC-id_60682806	395.243	OZEFRKCYARJWPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121888
Brc1cc(F)c(OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8307975	395.246	XYLVHCOYYLYCLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121889
Brc1c(OCC(=O)Nc2sc3CCCc3c2C#N)ccc(F)c1	PC-id_8174786	395.246	IWYQIYKWBLPGJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121890
CCOCCOc1ccc(cc1NC(=O)N1CCn2c1ncc2)Br	EMOLS-id_320124189,MCULE-9632406705	395.251	JMLVBKQCICYMSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121891
COc1c(C)[nH]cc(c1=O)CN(C(=O)c1c(Br)nc2n1CCC2)C	EMOLS-id_279024569	395.251	HDNKNYIPVZZAOS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-121892
O=C(c1cc2n(n1)CCO2)NC(C(F)(F)F)c1ccc(cc1)OC(F)(F)F	EMOLS-id_316790510,MCULE-1790224048	395.257	CWXKVPFWMRZQAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121893
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1cc2n(n1)CCO2	ZINC22_367940591	395.257	CWXKVPFWMRZQAN-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121894
O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1cc2n(n1)CCO2	ZINC22_367940595	395.257	CWXKVPFWMRZQAN-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121895
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F	SCHEMBL18740251	395.257	FRXVSCPBECDIGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121896
OC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OC(F)(F)F	SCHEMBL18740256	395.257	JCECTPLNSDMBJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121897
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1Cl	PC-id_1662531	395.26	TUSOUCVDJLKMEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121898
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc(Cl)c1	PC-id_8234544	395.26	JTIYGHRHVMRRQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121899
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1Cl	PC-id_16523110	395.26	VYSDVRKJLOZQDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121900
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc(Cl)c1	PC-id_7862855	395.26	RXIFOHJWVCRLMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121901
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc(Cl)cc1	PC-id_8234253	395.26	BKJTXDVDAPWUMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121902
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(Cl)ccc1	PC-id_8234388	395.26	XNIMXWLVJRRRKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121903
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(F)ccc(C)c2Br)n1	EMOLS-id_330994686,MCULE-6053908066	395.266	HIMPWCNDONZBAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121904
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(F)ccc(C)c1Br	EMOLS-id_330979513,MCULE-9940317163	395.266	ZXSQBTYULNNANV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121905
Brc1cc(C(=O)COC(=O)c2sc3CCCc3c2)ccc1OC	PC-id_16505608	395.268	UHCJWHIXDGJJJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121906
BrC1=CC(=CNNC(=O)c2sc3CCCc3c2)C=C(OC)C1=O	PC-id_9462569	395.271	NDLLTWNQXRGZDR-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-121907
Brc1ccc(OCC(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_26872406	395.271	DMUFYJFTEBYQSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121908
Brc1c(cc(O)c(OC)c1)C=NNC(=O)c1sc2CCCc2c1	PC-id_85015604	395.271	KPGRBUXMJNRYHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121909
Brc1c(C(=O)NNC(=O)c2sc3CCCc3c2)cc(OC)cc1	EMOLS-id_30654797,PC-id_26872430,MCULE-8767730603	395.271	MPDHAYCFUIAAPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121910
c1(NC(=O)c2cncc(Br)c2)sc2c(CCC2)c1C(=O)OCC	TIMTEC162486,PC-id_978753,MCULE-8366353377,EMOLS-id_604265,CoCoCo_748212,SPECS-id_AT-225/NB60281,STOCK2S-57211,ZINC22_622658	395.271	GAYREULIXVHNGV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-121911
c1(NC(=O)COc2cccc(Br)c2)sc2c(CCC2)c1C(=O)N	MCULE-7239922985,PC-id_19171483	395.271	JCAAQPZYWQMWJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121912
c1(NC(=O)COc2ccccc2Br)sc2c(CCC2)c1C(=O)N	PC-id_19168427,MCULE-7674030248	395.271	WJYBNNZKBXMTPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121913
c1(NC(=O)COc2ccc(cc2)Br)sc2c(CCC2)c1C(=O)N	ZINC22_3079079,PC-id_4503678,MCULE-8592370717	395.271	OIXCQKKORIEFPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121914
COc1ccc(Br)cc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_6847074,PC-id_3682716	395.271	XNBVELSCZHAGBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121915
COc1c(c(cc(c1)/C=N/NC(=O)c1cc2c(s1)CCC2)Br)O	PC-id_135749605	395.271	RNZKDHSYOHLZKA-QGMBQPNBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121916
COc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1Br	PC-id_4503423,ZINC22_6736696	395.271	MPYBUWYUYQUIJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121917
CCCN(CCC)Cc1nnc2n1N=C(C2=Nc1ccc(cc1)N(CC)CC)C	PC-id_164048807	395.28	VWQWJYDKQPKDDZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-121918
O=C(N1CCOC(C1)c1ccc(c(c1)Cl)Cl)NC1CC(n2c1ncc2)C	EMOLS-id_101414227	395.283	LBRVUEGMSSQMCT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121919
Clc1cnc(c(c1)Cl)N1CCN(CC1)C(=O)NC1CC(n2c1ncc2)C	EMOLS-id_101436588	395.286	JKVVUUKOUAQERI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-121920
Brc1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328219252,MCULE-1389571390	395.292	XXRWFILZTVNZCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121921
Brc1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328218996,MCULE-1569577918	395.292	JYWLREIDZPDNID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121922
Brc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328219760,MCULE-2121283448	395.292	QQLNUFZCJYWJKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121923
Brc1cc(CNC(c2n3CCCc3nn2)C)cc(OC)c1OCC	MCULE-5040537346,PC-id_56795881,EMOLS-id_37001965	395.294	NLYGGRMDVYGATR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121924
CCOc1c(Br)cc(CN[C@@H](C)c2nnc3n2CCC3)cc1OC	PC-id_52640844,ZINC22_59260084	395.294	NLYGGRMDVYGATR-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-121925
CCOc1c(Br)cc(CN[C@H](C)c2nnc3n2CCC3)cc1OC	PC-id_52640846,ZINC22_59260087	395.294	NLYGGRMDVYGATR-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121926
Brc1ccc(s1)c1cc([nH]n1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_323268811,MCULE-1294551732	395.297	SEOIYDKFXIISAK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-121927
c1(NC(=O)c2c(Br)cnc(SC)n2)sc2c(CCC2)c1C#N	EMOLS-id_322613601,MCULE-3295002532	395.297	JNTFGGNDHPUMFW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-121928
CC(=CC(=O)c1c2CCCc2c(s1)C(=O)OC)c1cc(cc(c1)Cl)Cl	PC-id_89759466	395.3	GSPBIIKCIBRPEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121929
COC(=O)c1sc(c2c1CCC2)C(=O)/C=C(c1cc(Cl)cc(c1)Cl)/C	SCHEMBL15199021	395.3	GSPBIIKCIBRPEG-POHAHGRESA-N	00000010100000110000000010000000000000000000000000000000	25-01-121930
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-2255934849	395.303	XMONHYGKRDXYHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121931
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-7800954339	395.303	BMCAOBGWCWLLME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121932
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322626371,MCULE-3768264082	395.303	DALKWFAURNXKOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121933
CNC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2CCCc12	EMOLS-id_334330069	395.303	XMONHYGKRDXYHI-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121934
CNC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2CCCc12	EMOLS-id_334331606	395.303	BMCAOBGWCWLLME-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121935
OCc1sc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Br	PC-id_105978007	395.316	JLBLGSQWQNRIBP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-121936
Brc1ccc(s1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98332407	395.317	MWTCTXKACKLQPM-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-121937
Brc1cc(c(SCC(=O)N(Cc2n3CCCc3nn2)C)cc1)C	PC-id_52548020	395.317	POIPYODGCWPZMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121938
O=C1C(CCCN1c1cnn(c1)C)NC1CCc2c1cc(s2)Br	EMOLS-id_318145324	395.317	MDDGXVAJCSJCRD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-121939
c1(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n(C)nc2CSCc12	MCULE-7429186580,EMOLS-id_334561726	395.323	PBMNDFKKEYXNDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121940
Clc1cc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)ccc1Cl	PC-id_8110940	395.326	ZRNHESMLIHOOII-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121941
Clc1c([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)C)ccc(Cl)c1	PC-id_9254411	395.326	YQRMBHKHVGSCIG-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-121942
Clc1c([C@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)C)ccc(Cl)c1	PC-id_9254415	395.326	YQRMBHKHVGSCIG-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121943
Clc1c(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)C)ccc(Cl)c1	PC-id_84964220	395.326	YQRMBHKHVGSCIG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121944
Clc1c(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cccc1Cl	PC-id_2698667	395.326	GSIBUZOSFQAPDT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121945
Clc1c(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)ccc(Cl)c1	PC-id_2699372	395.326	FTNFFFYNVLOCLN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-121946
CCNC(=NCc1nnc2n1CCC2)NCCCc1ccc(cc1Cl)Cl	PC-id_111720494	395.329	MNBGCROQJLCSPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121947
BrC1CC(Cl)c2c1c(Br)sc2Br	PC-id_73100086	395.337	FTIFCEWLDYXVAJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121948
Br[C@H]1C[C@H](c2c1c(Br)sc2Br)Cl	PC-id_102378761	395.337	FTIFCEWLDYXVAJ-STHAYSLISA-N	00000010100000000000000010000000000000000000000000000000	25-01-121949
Br[C@@H]1C[C@H](c2c1c(Br)sc2Br)Cl	PC-id_102378762	395.337	FTIFCEWLDYXVAJ-PWNYCUMCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121950
Br[C@H]1C[C@H](Cl)c2c1c(Br)sc2Br	PC-id_10960231	395.337	FTIFCEWLDYXVAJ-HRFVKAFMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121951
Br[C@@H]1C[C@H](Cl)c2c1c(Br)sc2Br	PC-id_11784222	395.337	FTIFCEWLDYXVAJ-GBXIJSLDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121952
O=C(c1cnc2n1CCC2)NC1(CCOCC1)c1cccc(c1)OC(F)(F)F	EMOLS-id_318121237	395.376	IWTJNRSVJJYGKE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121953
O=C(c1nn2c(c1)CCC2)NC1(CCOCC1)c1cccc(c1)OC(F)(F)F	EMOLS-id_318084414	395.376	DLUQVHDCTXTPCG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-121954
OCCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261690	395.376	IDGWDMSUAGZUIT-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121955
s1c2CCCc2cc1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1	PC-id_7623733	395.377	RBANXKBURXGLHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121956
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(F)cccc1F)C(=O)OC	PC-id_16523301	395.377	JFFZQOAXOLLFKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121957
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(F)cc(F)cc1)C(=O)OC	PC-id_16524749	395.377	VVZYUOCNGHCKNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121958
COc1cccc(CNC(=O)c2nc3CN(Cc3o2)C(=O)c2cccc(F)c2)c1	EMOLS-id_44304414,ZINC22_96147315,PC-id_97442839	395.384	YJQSRKOWPBJALC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121959
c1(NC(=O)c2ccc(N(=O)=O)o2)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862268,EMOLS-id_30132009,MCULE-7644649990,CoCoCo_5277568,ZINC22_23138946	395.39	BIQQGAGKVAFFQW-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-121960
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2cccc(c2)C(F)(F)F)C1	PC-id_46565001,MCULE-5982883359,EMOLS-id_323368125	395.399	MDESIFHCAOFSPB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121961
CC1(COCc2ccc(cc2)OCc2ccccc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL1227086,PC-id_50913633	395.409	ALCHOIHBPGUMHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121962
COC(=O)c1cnc2n1c(=C(C)C)c(c2C(=O)Nc1ccccc1OC)C(=O)C	PC-id_59449084,SCHEMBL12220569	395.409	OOVZHEAAJRWHGR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121963
NC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCC2	EMOLS-id_15242143,CoCoCo_3015378,PC-id_4845425,MCULE-4955887693,ZINC22_9441480	395.41	KQLWWIKQOLVQNY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-121964
CCCC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)n1ccoc1=O	PC-id_139982967	395.412	DIDVYCDSMZNZPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121965
Brc1cc(C)c(c(c1)C)S(C1c2sccc2C(=C1C)C)(C)C	PC-id_143486608	395.42	TXLUZQFIJVLRLZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-121966
c1(c2CCCc2sc1NC(=O)COc1ccc(cc1F)F)C(=O)OC(C)C	ChEMBL-DNDi_CHEMBL3112-5296,TIMTEC133708,MCULE-1919540972,CoCoCo_1713822,PC-id_601099,ZINC22_2462870,EMOLS-id_2568376	395.42	DUXQVYOQIXVENF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121967
Cc1cc(C)c(c(c1)Br)S(C1C(=C(c2c1scc2)C)C)(C)C	PC-id_143486611	395.42	YVSDRTNGBXIFET-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-121968
CCC(C(=O)NCCn1ccc(n1)C1CC1)n1nc(c2CCCc12)C(F)(F)F	TIMTEC416441,PC-id_19591161,EMOLS-id_8867860,MCULE-2219373103	395.422	QYEBRFHQPJCBDF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-121969
CC[C@H](C(=O)NCCn1ccc(C2CC2)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092464,ZINC22_20607551	395.422	QYEBRFHQPJCBDF-OAHLLOKOSA-N	00100010100000000001100010000000000000000000000000000000	25-01-121970
CC[C@@H](C(=O)NCCn1ccc(C2CC2)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607550,PC-id_29092463	395.422	QYEBRFHQPJCBDF-HNNXBMFYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-121971
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2F)F)sc2c(CCC2)c1C#N	EMOLS-id_322861799,MCULE-1016385701	395.425	DPZZVDCKKGYLNY-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-121972
c1(NC(=O)c2ccc(nc2C)c2ccc(c(F)c2)F)sc2c(CCC2)c1C#N	MCULE-6889626820,EMOLS-id_322862055	395.425	KPIPLWHSLYDBMJ-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-121973
c12CN(Cc1cnn2Cc1ccc(cc1)F)C(=O)Cc1cc(OC)cc(OC)c1	ZINC22_67743565,PC-id_56751597,EMOLS-id_36596509,MCULE-9787377191	395.427	NLZYQRLTCSNHAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121974
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CC(=O)OCC)C(=O)OCC	PC-id_4312452	395.427	KKDVANSSKHTTOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121975
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/C(=O)OCC)C(=O)OCC	PC-id_6381955	395.427	KKDVANSSKHTTOC-CMDGGOBGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-121976
s1c2c(CCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC	PC-id_17300480	395.428	KYADGKXEXHIWDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121977
s1c2c(CCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(F)cc1)C(=O)OC	PC-id_20411735	395.428	UNCSXNWFQIQVOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121978
s1c2c(CCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(F)cc1)C(=O)OC	PC-id_17300481	395.428	RBERIVCVEZCZFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-121979
c1(NC(=O)c2cc(on2)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	EMOLS-id_15970458,ZINC22_2465570,PC-id_17252930,TIMTEC96597,MCULE-1412668980	395.432	CFIOCQHZKABRBX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121980
c1(NC(=O)c2c(=O)ccn(c3ccccc3)n2)sc2c(CCC2)c1C(=O)OC	ZINC22_9486455,TIMTEC124178,PC-id_16425234,STOCK6S-34544,EMOLS-id_13124137,MCULE-9367315269,CoCoCo_6411820	395.432	DKDFFHYFCIAAQG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121981
c1(NC(=O)c2noc(c3cc(OC)ccc3OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_15970940,PC-id_22427466,MCULE-1986490703	395.432	HEIQHOGETAVXGS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-121982
c1(sc2c(CCC2)n1)NC(=O)c1ccc(c(c1)N(=O)=O)OCc1ccccc1	PC-id_84562340,EMOLS-id_181483291,MCULE-5938988575	395.432	PQJHMZTYTAROJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-121983
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cnc(cc1)c1ccccc1	PC-id_89238820,SCHEMBL14057635	395.432	BWUUQFJEXXJQNW-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-121984
CCOc1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324843248	395.432	RYASETNQGNDLAT-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121985
CCOc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1O	EMOLS-id_324843251	395.432	BQHVJDVJOHVAQA-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121986
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)cc1	EMOLS-id_324878853	395.432	QUNHFMMESGLJJA-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121987
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)cc1	EMOLS-id_324878850	395.432	FFPAVQNXTQWVBD-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121988
COc1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324846331	395.432	QDPZDAXRFDYQCB-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-121989
COc1cc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)ccc1O	EMOLS-id_324868611	395.432	LSNRIGVSFIRYKG-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121990
COc1ccccc1OCc1nc2s/c(=Cc3ccccc3OC)/c(=O)n2n1	EMOLS-id_324866574	395.432	AFZSTQMMAMAZES-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121991
COc1ccccc1OCc1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324873730	395.432	ALSMTPGWNQWJGR-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121992
COc1ccc(Cc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324925962	395.432	IZDBOZJDRVYPDW-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121993
COc1ccc(Cc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324925959	395.432	SFOWAIJEQDNCQK-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121994
COc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324841712	395.432	OPABQTHNYHGTDP-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121995
COc1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1	EMOLS-id_324869132	395.432	QQLNTLQPJJZNHY-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121996
COc1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1	EMOLS-id_324871183	395.432	FJHXCYUAAPEKNR-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-121997
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(C)o4)/c(=O)n3n2)cc1OC	ZINC22_16750141,EMOLS-id_45965863	395.432	SYKPPRTXLZLDQA-GIBFOZDASA-N	00000000101000110001000010000000000000000000000000000000	25-01-121998
COc1ccc(/C=C/c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)cc1OC	ZINC22_254875411	395.432	SYKPPRTXLZLDQA-YGNMSSQISA-N	00000000101000110001000010000000000000000000000000000000	25-01-121999
COc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1OC	EMOLS-id_324845299	395.432	ICUBWOKRFOTANC-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122000
COc1cccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)c1	EMOLS-id_324867598	395.432	GTZCERLPYGGABJ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122001
COc1cccc(OCc2nc3s/c(=Cc4ccccc4OC)/c(=O)n3n2)c1	EMOLS-id_324876800	395.432	UIYUYTDGPBUXMH-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122002
COc1cccc(OCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)c1	EMOLS-id_324875781	395.432	ADOFIRIDFVUARV-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122003
COc1cccc(OCc2nc3s/c(=Cc4cccc(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324877824	395.432	NWEJFRUJMSYIKJ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122004
COc1ccc(OC)c(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1	EMOLS-id_324841716	395.432	LLYHGUPPLRTBER-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122005
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5847117606	395.432	SFOWAIJEQDNCQK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122006
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1ccc(cc1)OCC	MCULE-5638458829	395.432	FFPAVQNXTQWVBD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122007
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1ccccc1OC	MCULE-7403589445	395.432	ALSMTPGWNQWJGR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122008
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1ccccc1OC	MCULE-9262207718	395.432	AFZSTQMMAMAZES-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122009
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)COc1cccc(OC)c1	MCULE-3263101697	395.432	FJHXCYUAAPEKNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122010
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1cccc(OC)c1	MCULE-5831887613	395.432	ADOFIRIDFVUARV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122011
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1cccc(OC)c1	MCULE-9692603094	395.432	UIYUYTDGPBUXMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122012
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1ccccc1	MCULE-1633010060	395.432	LLYHGUPPLRTBER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122013
n12nc(nc1sc(=Cc1ccc(C)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9675994809,EMOLS-id_26591513	395.432	SYKPPRTXLZLDQA-UHFFFAOYSA-N	00000000101000110001000010000000000000000000000000000000	25-01-122014
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5598927004	395.432	IZDBOZJDRVYPDW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122015
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1ccc(cc1)OCC	MCULE-6466834575	395.432	QUNHFMMESGLJJA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122016
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1ccccc1OC	MCULE-1003242177	395.432	GTZCERLPYGGABJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122017
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1cccc(OC)c1	MCULE-5790958624	395.432	NWEJFRUJMSYIKJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122018
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1ccccc1	MCULE-4097284241	395.432	ICUBWOKRFOTANC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122019
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1ccccc1	MCULE-7620215961	395.432	BQHVJDVJOHVAQA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122020
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)COc1ccccc1OC	MCULE-9195530359	395.432	QQLNTLQPJJZNHY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122021
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1ccccc1	MCULE-7291155247	395.432	OPABQTHNYHGTDP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122022
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CCOc1ccccc1	MCULE-9418628557	395.432	QDPZDAXRFDYQCB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122023
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1ccc(cc1)C	MCULE-3539100727	395.432	LSNRIGVSFIRYKG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122024
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1ccccc1	MCULE-7214986671	395.432	RYASETNQGNDLAT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122025
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](Oc1ccc(cc1)C#N)C)C#N	PC-id_7983596	395.432	CLVUVFOHXLXZPL-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122026
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H](Oc1ccc(cc1)C#N)C)C#N	PC-id_7983597	395.432	CLVUVFOHXLXZPL-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122027
s1c2CCCc2c(c1NC(=O)COC(=O)C(Oc1ccc(cc1)C#N)C)C#N	PC-id_78588495	395.432	CLVUVFOHXLXZPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122028
O=C(c1cc2n(n1)CCO2)N1CCCN(CC1)S(=O)(=O)c1c(C)noc1C	EMOLS-id_99514286	395.433	JSTYAQNLLZMHPO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-122029
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)Cc1cccs1	SCHEMBL2915185,PC-id_68439506	395.435	SRFAPKMWLIUGMS-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-122030
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)Cc1ccsc1	PC-id_68440758,SCHEMBL2918913	395.435	GZBMEPPBSZZMPE-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-122031
c1(NC(=O)CNc2ccc(c(c2)n2cnnn2)OC)sc2c(CCC2)c1C#N	MCULE-6534378280,EMOLS-id_320687411	395.438	UCQJFLKEDDNFJK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122032
c1(NC(=O)CNc2ccc(c(OC)c2)n2cnnn2)sc2c(CCC2)c1C#N	EMOLS-id_320725035,MCULE-2041127277	395.438	JAMLIHMXZIKXEJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122033
O=C(c1sc2c(c1)CCC2)N1CCCN(CC1)c1ccc(cn1)C(F)(F)F	PC-id_86909390	395.442	ALHKSEHCXUFSGM-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-122034
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c(cccc1)C(F)(F)F	PC-id_44060302	395.442	MFMWTMCGGKUWET-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122035
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(ccc1)C(F)(F)F	PC-id_44060303	395.442	ZQEXOIBQSNASCL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122036
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F	PC-id_44060304	395.442	PICBTHATZXNBSG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122037
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1cc(F)c(F)cc1)C)C(=O)OC	PC-id_74731346	395.443	RHZOCEDKSPGGGU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-122038
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1c(F)cc(F)cc1)C)C(=O)OC	PC-id_74731233	395.443	AOVQUGFFPXRROJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-122039
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1cc(F)c(F)cc1)C)C(=O)OC	PC-id_40987642	395.443	RHZOCEDKSPGGGU-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-122040
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1cc(F)c(F)cc1)C)C(=O)OC	PC-id_40987644	395.443	RHZOCEDKSPGGGU-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-122041
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1c(F)cc(F)cc1)C)C(=O)OC	PC-id_40986113	395.443	AOVQUGFFPXRROJ-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-122042
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1c(F)cc(F)cc1)C)C(=O)OC	PC-id_40986116	395.443	AOVQUGFFPXRROJ-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-122043
Fc1c(NC(=O)N(C2CC(n3c2ccc3)(C)C)Cc2ccccc2)ccc(F)c1	PC-id_4246643	395.445	HNKPLBABLAABGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122044
s1nc(nc1n1ncc([N+]#[C-])c1N/N=C
/C(=Nn2nc(nc12)C)C(C)(C)C)C	PC-id_58113638	395.445	HDNYLCFJYOTGBW-NHDPSOOVSA-N	00000011100000000001100010000000000000000000000000000000	25-01-122045
Fc1ccc(cc1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331261804	395.447	KPLIMFVYFXPFCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122046
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)Nc1ccc(F)cc1	PC-id_78464101	395.447	AZJVJHYIIFCAAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122047
s1c2CCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)Nc1ccc(F)cc1	PC-id_7238774	395.447	AZJVJHYIIFCAAY-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122048
s1c2CCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)Nc1ccc(F)cc1	PC-id_7238775	395.447	AZJVJHYIIFCAAY-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122049
c12c(CCC1C(=O)Nc1cccc(F)c1)sc(NC(=O)c1ccc(cc1)C)n2	EMOLS-id_12347187,MCULE-7647554427,PC-id_16947563	395.45	RUHXNEOAZHLWEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122050
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1cccnc1	CoCoCo_6329949,EMOLS-id_9388329,ZINC22_27663086,TIMTEC303459,MCULE-9156225469,PC-id_17012679	395.45	MCJPPVVPIMYGBG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-122051
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)NCc1cccnc1	ZINC22_4865816,EMOLS-id_2276241,CoCoCo_1024353,MCULE-4841780756,PC-id_2992296,TIMTEC429763	395.45	RNHJINBZEVECCE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-122052
Cc1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)ccc1F	EMOLS-id_324851451	395.45	TVPGVBVDQCJNHI-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-122053
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324870669	395.45	NNBGYWMWUDWEEB-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122054
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)c1	EMOLS-id_324882946	395.45	FMQYUIICXGKVOG-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122055
Cc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)c1C	EMOLS-id_324876815	395.45	SDIZDHUQVJDSCQ-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122056
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2cccc(F)c2)cc1	PC-id_40946092,CoCoCo_5124826,ZINC22_9132216	395.45	RUHXNEOAZHLWEY-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122057
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2cccc(F)c2)cc1	PC-id_40946093,CoCoCo_5124827,ZINC22_9132217	395.45	RUHXNEOAZHLWEY-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122058
CCc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)c1	EMOLS-id_324890125	395.45	QQDKKLAHCWALPP-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122059
CCc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324889092	395.45	QDIRDSVSFQWYHE-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122060
CC(C)Oc1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324838131	395.45	DXPKMQPKZRUDCI-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122061
CCCOc1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324841202	395.45	IGWVWDDCPNDCCW-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122062
COc1cc(ccc1OC)[C@H](N1C(=O)c2c(C1=O)csc2)CS(=O)(=O)C	PC-id_141237105	395.45	AYXZQYBJBNQRKN-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122063
COc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)csc2)CS(=O)(=O)C	PC-id_141237103	395.45	AYXZQYBJBNQRKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122064
Fc1ccc(cc1)C(=O)N1CCc2c1cc(s2)C(=O)NCCc1cccnc1	PC-id_97524489	395.45	QCWPYUSTDKNINP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-122065
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCCc1ccccn1	PC-id_97442337,EMOLS-id_44303594,ZINC22_96146810	395.45	WZLQKETXOMAXKE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-122066
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCCc1ccncc1	PC-id_97442336,EMOLS-id_44303592,ZINC22_96146809	395.45	AAIRDHPHGSQMEI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-122067
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)Cc1ccc(F)cc1	MCULE-1708923208	395.45	IGWVWDDCPNDCCW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122068
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)Cc1ccc(F)cc1	MCULE-5853410962	395.45	DXPKMQPKZRUDCI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122069
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)CCCOc1ccccc1	MCULE-5848147727	395.45	TVPGVBVDQCJNHI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122070
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1ccc(cc1)CC	MCULE-9327810802	395.45	QDIRDSVSFQWYHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122071
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1cc(C)ccc1C	MCULE-3259286297	395.45	FMQYUIICXGKVOG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122072
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1c(C)cccc1C	MCULE-6667972001	395.45	NNBGYWMWUDWEEB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122073
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1cccc(C)c1C	MCULE-7207256805	395.45	SDIZDHUQVJDSCQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122074
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1cccc(CC)c1	MCULE-5057764087	395.45	QQDKKLAHCWALPP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122075
s1c2CCCc2cc1C(=O)OCc1c(c(sc1C(=O)OC)N)C(=O)OC	PC-id_7291838	395.45	FERVCUXHOXAMGW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-122076
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(F)cc1	PC-id_16947564	395.45	CNESXBKEXKUHEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122077
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(F)cccc1	PC-id_16947562	395.45	XPDYKAYEYFLRQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122078
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(F)c(cc1)C	PC-id_16947123	395.45	NCIJDODXMPNLKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122079
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCc1ccc(F)cc1	PC-id_16947055	395.45	SODBZRROGDOXIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122080
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(cccc1)C	PC-id_16947237	395.45	CSPFDUJHMMICIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122081
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccc1)C	PC-id_16947238	395.45	WEQKDYIPDAKMEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122082
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(cc1)C	PC-id_16947239	395.45	TXZGNXUPTBKEBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122083
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1	PC-id_16947213	395.45	VCGUNGKYUAOZJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122084
COc1ccc(c(c1)OC)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109349	395.452	HIQGGOKFZCHYEQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122085
COc1ccc(cc1OC)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109350	395.452	OWSMHCMHPCTHFK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122086
COc1cccc(c1OC)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109351	395.452	IKPVDGJSFQQBGH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122087
COc1ccccc1OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109388	395.452	IQZUDEIOSFHVRJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122088
COc1cccc(c1)OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109389	395.452	BZKGGWCILCLGMZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122089
COc1ccc(cc1)OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109390	395.452	PGLOSNXQGSSVNQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122090
COc1cc(OC)cc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109352	395.452	UQEJNDRCVXWUGV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122091
Cc1csc(=O)n1CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_22377246,EMOLS-id_23599932,MCULE-1256368574,CoCoCo_3902297,PC-id_18288635	395.453	PJMWKNIQFMEBGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122092
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(s1)CNC(=O)C	SCHEMBL14055027,PC-id_89236578	395.453	BGZLXQKUHWAELQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-122093
CN(C1CCN(CC1)C(=O)OC(C)(C)C)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481759,SCHEMBL5544324	395.453	JOXZIUBTYDVRLR-SFHVURJKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122094
CNC([C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)C(=O)OC(C)(C)C	PC-id_69481758,SCHEMBL5544320	395.453	YFNFCEPVTAHZTQ-IBYPIGCZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122095
CNC(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)C(=O)OC(C)(C)C	PC-id_69481760,SCHEMBL5544330	395.453	YFNFCEPVTAHZTQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122096
CN(C(=O)OC(C)(C)C)C1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_23081148,SCHEMBL5543220	395.453	NQTJQMJWXFTJJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122097
O1C(CCCN2CCN(CC2)C(=O)OC(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5541661,PC-id_23081539	395.453	OOXQXPPJYOLQCY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122098
O1C(CN(C2CCN(CC2)C(=O)OC(C)(C)C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_77659738	395.453	JOXZIUBTYDVRLR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122099
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1cc(cc(c1C)C)[N+](=O)[O-]	CoCoCo_4260930,EMOLS-id_18844460,PC-id_24510008,MCULE-1433134157	395.453	KWXXOIYISCILJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122100
OC(=O)CN1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C	PC-id_44137298,SCHEMBL8025750	395.453	YMPGUXPACKQVHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122101
OC(=O)CN1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C	SCHEMBL8025310,PC-id_44137297	395.453	XXAJHDKAERSPIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122102
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N)ccc1OC	PC-id_27684860	395.453	DGFLFVUSTXAIQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122103
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)COC)C(=O)N	PC-id_48702258	395.453	IPNQNCHQZMNZND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122104
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1snnc1C)C(=O)OCC	PC-id_7576956	395.453	JHRKYALFWHWCJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122105
s1c2c(CCC2)c(c1NC(=O)CSC1=NC(=O)CC(=O)N1)C(=O)OCC	PC-id_56692754	395.453	APULZEOJRBPYCR-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-122106
s1c2c(CCC2)c(c1NC(=O)CSc1[nH]c(=O)cc(O)n1)C(=O)OCC	PC-id_17265897	395.453	PMMGWEHZWFMGTB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-122107
S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)Nc1onc2c1CSC2	PC-id_49719088	395.453	QGKDVCLOEJFETQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122108
c1(C(=O)NCCNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c2CCCc2[nH]n1	EMOLS-id_323257786,MCULE-5745600445	395.455	VMWUEJKWVPOWKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122109
CCCCNC(=O)N1Cc2c(C1)n(nc2N(c1ccccc1)C=O)C(=O)C1CC1	PC-id_141257359	395.455	YZWQPMZUFKBWRC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-122110
CCCC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)C1CCNC1=O	PC-id_141251767	395.455	YAGBVZFDGQVBHC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122111
CC(=O)Oc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_27022013,EMOLS-id_45970276	395.455	HAPXFMYVFQKHPJ-UVBRKHIMSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122112
CC(=O)Oc1cccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)c1	ZINC22_27022026,EMOLS-id_45970280	395.455	UTRSSFOCRVCZEE-UQQCGOLSSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122113
COC(=O)c1ccc(cc1)/C=c/1sc2n(c1=O)nc(n2)/C=C/c1cccs1	ZINC22_5178253,EMOLS-id_206996872,STOCK4S-47264	395.455	QBWQMHXAIKGISF-NOCYUORASA-N	00000000100100110001000010000000000000000000000000000000	25-01-122114
n12nc(nc1sc(=Cc1ccc(cc1)C(=O)OC)c2=O)C=Cc1cccs1	MCULE-4400901275	395.455	QBWQMHXAIKGISF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122115
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)C=Cc1cccs1	MCULE-2545832824	395.455	UTRSSFOCRVCZEE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122116
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)C=Cc1cccs1	MCULE-4177037301	395.455	HAPXFMYVFQKHPJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122117
O=C(n1nc(NC(=O)c2ccccc2)c2c1CN(C2)C(=O)NCCCC)C1CC1	PC-id_54767477	395.455	NAPQODBHNMFVJN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-122118
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cn1cnc(c(c1=O)C)C	PC-id_92109480	395.455	XPMRIXKGAMWIDE-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-122119
c1(nnc2SCCn12)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1	CoCoCo_2590542,MCULE-9191523879,EMOLS-id_16349499,PC-id_22582982	395.457	LOSQOHBUEXJKPD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122120
CC(C#N)CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCn2c1ccn2	MCULE-6099322410,EMOLS-id_177311291	395.457	NDVRVCNXLNAMRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122121
C[C@H](C#N)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3nccc23)cc1	ZINC22_585091369	395.457	NDVRVCNXLNAMRZ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122122
C[C@@H](C#N)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3nccc23)cc1	ZINC22_585091370	395.457	NDVRVCNXLNAMRZ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122123
s1c(C(=O)N2CC[NH+](CC2)Cc2cc(ccc2)C(F)(F)F)cc2CCCc12	PC-id_9474407	395.462	MTLBUHFPXICZEY-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-122124
s1c(N/N=C/C(=Nn3nc(nc23)C)N(C)C(=O)OCC)nnc1SCC	PC-id_59696928	395.463	QZDALAWGPONETA-OVCLIPMQSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122125
s1c(NN=C2C(=Nn3nc(nc23)C)N(C)C(=O)OCC)nnc1SCC	PC-id_71098876	395.463	QZDALAWGPONETA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122126
Fc1ccc(cc1F)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110053	395.467	YIEZMPCHIXYYBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122127
Fc1cccc(c1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)F	PC-id_92110038	395.467	MDGWUMLYKPSSQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122128
Fc1ccc(c(c1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)F	PC-id_92110043	395.467	BCMUGUZZSMUZOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122129
s1c2CCCc2nc1OC(C(OC)(c1ccccc1)c1ccccc1)C(=O)O	PC-id_44214873	395.471	SNDUECDSUSTACS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122130
s1c2CCCc2nc1O[C@@H](C(OC)(c1ccccc1)c1ccccc1)C(=O)O	PC-id_9800828	395.471	SNDUECDSUSTACS-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122131
Fc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nc2CCCc2s1	EMOLS-id_30137503,PC-id_16827516,MCULE-7780891483	395.472	NLQYDMZWBOGSTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122132
O=C(c1ccc(c(c1)S(=O)(=O)N1CCCC1)F)Nc1sc2c(n1)CCC2	GD-id_ZINC45896654	395.472	NGQAODNCEKUGIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122133
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1	PC-id_40860639,ZINC22_8896317,GD-id_ZINC08896317	395.472	NLQYDMZWBOGSTA-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122134
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1	PC-id_40860646,ZINC22_8896325	395.472	NLQYDMZWBOGSTA-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122135
c1(NC(=O)C(=O)NCCCN2CCOCC2)sc2c(CCC2)c1C(=O)OC	PC-id_8069540,STOCK6S-11755,CoCoCo_6534194,ZINC22_20573716,EMOLS-id_4742229,MCULE-1642003471,ChEMBL-DNDi_CHEMBL1460963,CHEMBL1460963	395.473	QNXYEHHNKSRWKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122136
c1(NC(=O)C(=O)NCCN2CCOCC2)sc2c(CCC2)c1C(=O)OCC	PC-id_8035188,ZINC22_20573475,CoCoCo_6533779,MCULE-5294059836,STOCK6S-09345,EMOLS-id_4738688	395.473	FBSYTXZDHKDJHY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122137
c1(sc2c(CCC2)c1C(=O)OCC)NC(=O)N1CCN(CC1)C(=O)OCC	MCULE-6055014040,EMOLS-id_4744539,ZINC22_6757395,CoCoCo_1096944,PC-id_8070357,STOCK6S-13303	395.473	MIINOAGYSUJBED-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122138
CCN(C1CC(C1)NC(=O)Nc1sc2c(c1C(=O)OC)CCC2)CC(=O)O	PC-id_122087701	395.473	OSPOMIISMFISLF-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-122139
CCOC(=O)N1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)CC1	MCULE-9728359959,ZINC22_16478891,EMOLS-id_48932043,PC-id_27154561	395.473	JCTFKBMJMLVBDB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122140
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)C=Cc1ccc(cc1)F	MCULE-6378175787	395.473	KKHOMNXUXRONPH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122141
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)C(C)(C)C)C)C(=O)N	PC-id_18226512	395.473	VXDUKUQOPANZSN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122142
c12c(CCC1C(=O)OCC)sc(NC(=O)C(c1ccccc1)n1cccc1)n2	PC-id_52992857,EMOLS-id_32238622,MCULE-7045100762	395.475	YHRZGLJNJCTQQV-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-122143
c1(c2CCCc2sc1NC(=O)CNCc1ccco1)C(=O)Nc1ccccc1	MCULE-4396639617,PC-id_4553205,CoCoCo_6723771,EMOLS-id_2785160,ZINC22_4554276,TIMTEC446778	395.475	SGBYGHLYMULJMS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122144
c1(NC(=O)c2cccc(c2)C#N)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4989890852,EMOLS-id_334337443	395.475	ICBRYRIZHNTWBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122145
c1(NC(=O)C(=Cc2ccc(cc2)OCCC)C#N)sc2c(CCC2)c1C(=O)N	PC-id_73553049,MCULE-9153833530	395.475	SAHOFFJZEFOFLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122146
c1(NC(=O)C(=Cc2ccccc2OCCC)C#N)sc2c(CCC2)c1C(=O)N	PC-id_73569157,MCULE-3252972344	395.475	NWVGJGMPMHNWIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122147
c1(NC(=O)COc2ccc(cc2)NC(=O)C2CCC2)sc2c(CCC2)c1C#N	MCULE-2131853550,EMOLS-id_323285510	395.475	KJHINOLNEPOKOP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-122148
c1(NC(=O)COc2cccc(c2)NC(=O)C2CCC2)sc2c(CCC2)c1C#N	MCULE-4761438999,EMOLS-id_323163289	395.475	BZIQICGEJONZNS-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-122149
c1(NC(=O)COc2ccc(cc2)NC(=O)/C=C(C)/C)sc2c(CCC2)c1C#N	EMOLS-id_323246109,MCULE-4976286835	395.475	FQTDMSCRWMFEJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122150
c1(NC(=O)COc2cccc(c2)NC(=O)/C=C(/C)C)sc2c(CCC2)c1C#N	MCULE-1594327336,EMOLS-id_323223198	395.475	XJMBWCPYBVKOPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122151
CCOc1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1OCc1ccncc1	EMOLS-id_24083952,ZINC22_31916006,PC-id_39127470,CoCoCo_4776360,MCULE-3984264953	395.475	WJPKABHXHRASJI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122152
CCOC(=O)c1c(sc2c1CCC2)/N=C/c1c([nH]n(c1=O)c1ccccc1)C	PC-id_136082173	395.475	DBDNHTPUHOJUIR-WSDLNYQXSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122153
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H](c3ccccc3)n3cccc3)nc12	PC-id_52907290,ZINC22_62021925	395.475	YHRZGLJNJCTQQV-CRAIPNDOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-122154
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H](c3ccccc3)n3cccc3)nc12	PC-id_52907291,ZINC22_62021926	395.475	YHRZGLJNJCTQQV-MAUKXSAKSA-N	00000010110000110001000010000000000000000000000000000000	25-01-122155
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H](c3ccccc3)n3cccc3)nc12	PC-id_52907292,ZINC22_62021928	395.475	YHRZGLJNJCTQQV-QAPCUYQASA-N	00000010110000110001000010000000000000000000000000000000	25-01-122156
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H](c3ccccc3)n3cccc3)nc12	ZINC22_62021929,PC-id_52907293	395.475	YHRZGLJNJCTQQV-YJBOKZPZSA-N	00000010110000110001000010000000000000000000000000000000	25-01-122157
COc1ccc(cc1)/C=C(/C(=O)NCCc1sc2c(c1C(=O)N)CCC2)C#N	PC-id_143287444	395.475	YEHAUHOTBFKEHA-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122158
COc1ccc(C)cc1N1CC(CC1=O)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3510109335,EMOLS-id_182616254,PC-id_108801250	395.475	UJCMVUDXRAIWQP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-122159
COC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1C	MCULE-3709297756,EMOLS-id_328221812	395.475	CBSXHWRSXUHJBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122160
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)S(=O)(=O)N	MCULE-8338692064,EMOLS-id_328218738	395.475	CIHWBLWWJGEAFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122161
N#Cc1c(NC(=O)C(N2CCC3(C2)Oc2c(O3)cccc2)C)sc2c1CCC2	EMOLS-id_99334504	395.475	FFILYPHVCZZBHX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-122162
s1c2CCCc2cc1C(=O)NNC(=O)CCCc1oc(c2ccccc2)cn1	PC-id_40394430	395.475	YEIDFNFWAAPZFN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122163
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(n(nc1C)c1ccccc1)C	PC-id_7238908	395.475	ONRBPFUUGRJJJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122164
s1c2c(CCC2)c(c1N/C=C
/C(=NN(C1=O)c1ccccc1)C)C(=O)OCC	PC-id_45921067	395.475	NHAKQCOXJIMSSK-VBKFSLOCSA-N	00000011100000110001100010000000000000000000000000000000	25-01-122165
s1c2c(CCC2)c(c1NC=C1C(=NN(C1=O)c1ccccc1)C)C(=O)OCC	PC-id_75137577	395.475	NHAKQCOXJIMSSK-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-122166
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCCC)cc1)/C#N)C(=O)N	PC-id_19177154	395.475	SAHOFFJZEFOFLU-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122167
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1c(OCCC)cccc1)/C#N)C(=O)N	PC-id_19206696	395.475	NWVGJGMPMHNWIK-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122168
s1c2CCCc2c(c1NC(=O)CCN(Cc1occc1)Cc1occc1)C#N	PC-id_51303185	395.475	JWQIDZFGSAAIDM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-122169
s1c2c(CCC2)c(c1NC(=O)CNC(c1ccccc1)c1occc1)C(=O)N	PC-id_78755893	395.475	DNEIZMGMABROOC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122170
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](c1ccccc1)c1occc1)C(=O)N	PC-id_8696304	395.475	DNEIZMGMABROOC-IBGZPJMESA-N	00000010101000110000000010000000000000000000000000000000	25-01-122171
s1c2c(CCC2)c(c1NC(=O)CN[C@H](c1ccccc1)c1occc1)C(=O)N	PC-id_8696306	395.475	DNEIZMGMABROOC-LJQANCHMSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122172
s1c2CCCc2nc1NC(=O)c1cc(OCC)c(OCc2cccnc2)cc1	PC-id_39127473	395.475	AGAQMBUKFUEJEM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122173
s1c2CCCc2nc1NC(=O)c1c(oc(c2c(cccc2)C(=O)N(C)C)c1)C	PC-id_56661800	395.475	NVWABRBTAXKCDG-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-122174
S(=O)(=O)(c1ccc(c2ccc(CC(=O)Nc3n[nH]c4CCCc34)cc2)cc1)C	PC-id_10294108	395.475	VOPUBVUOYCEOHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122175
S(=O)(=O)(c1ccc(c2cc(CC(=O)Nc3n[nH]c4CCCc34)ccc2)cc1)C	PC-id_10272030	395.475	NALKMZPZLHMVIE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122176
C1CCN(C1)C(=O)N1CCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2	MCULE-1631311139,PC-id_136541036,EMOLS-id_110405186	395.476	IMUIPWMPOXRUFD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122177
n12c(=O)c(=Cc3ccccc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-3124294111	395.476	IGQRPXBAWWJYHO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122178
n12nc(nc1sc(=Cc1ccc(cc1)c1ccccc1)c2=O)Cc1ccccc1	MCULE-1408806290	395.476	SAOPGEVXNFMBPM-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-122179
O=c1n2nc(nc2s/c/1=Cc1ccccc1)C(c1ccccc1)c1ccccc1	EMOLS-id_324824054	395.476	IGQRPXBAWWJYHO-SILNSSARSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122180
O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC22_408001738	395.476	IMUIPWMPOXRUFD-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122181
O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC22_408001739	395.476	IMUIPWMPOXRUFD-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122182
c1(sc(nc1C)C)C(=O)NC1Cc2n(ncc2C(=O)NCc2ccccc2)C1	MCULE-6678332132	395.478	QUSWDWLXILMJMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122183
c1(sc(nc1C)C)C(=O)N[C@H]1Cc2n(ncc2C(=O)NCc2ccccc2)C1	EMOLS-id_316319027,MCULE-7844782788	395.478	QUSWDWLXILMJMH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122184
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1nc(cs1)c1cc(c(cc1)C)C	SCHEMBL2697215,PC-id_87424278	395.478	OVQJIGBYXFXLLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122185
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)CCc1cccs1	SCHEMBL2923850,PC-id_68442584	395.478	OMFQFCXGFVONCM-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-122186
s1c2CCCc2cc1C(=O)NNC(=O)C1CCN(CC1)c1ncc(cc1)C#N	PC-id_46690611	395.478	ICMBTANNPBXIPB-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-122187
s1c2CCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1ncccc1)C(C)C	PC-id_43070390	395.478	WVNMMFLQJYVVMB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-122188
s1c(C(=O)NC(Cc2ccccc2)C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_75835891	395.478	ISTYCNILBUYUML-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-122189
s1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52375817	395.478	ISTYCNILBUYUML-HNNXBMFYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-122190
s1c(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_52375818	395.478	ISTYCNILBUYUML-OAHLLOKOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-122191
CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(C)c2)sc2c1CCC2	ZINC22_408617722	395.493	IVDOYKBIGLXDDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122192
OC(=O)c1c(sc2c1CCC2)NS(=O)(=O)CCCOCc1ccccc1	PC-id_114285993	395.493	DWFGEVZPOOUVBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122193
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)OCC)C(=O)OC	PC-id_40630268	395.493	LXMBEXVYKOQRPS-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-122194
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C(=O)OCC)C(=O)OC	PC-id_75647651	395.493	KFSHRUJVVXDJQQ-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-122195
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)OC)C(=O)OCC	PC-id_2437767	395.493	YFYILAPEMJFTAQ-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-122196
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C(=O)OCC)C(=O)OC	PC-id_51423595	395.493	KFSHRUJVVXDJQQ-GFCCVEGCSA-O	00000010100010000000000010000000000000000000000000000000	25-01-122197
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C(=O)OCC)C(=O)OC	PC-id_51423599	395.493	KFSHRUJVVXDJQQ-LBPRGKRZSA-O	00000010100010000000000010000000000000000000000000000000	25-01-122198
CCN1CCN(CC1)CCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_101838941	395.495	XTSYDZMCPDYYBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122199
CCOC(=O)N1CCC(CC1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213887,MCULE-9345442185	395.495	UHLZMRJPSYOZER-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-122200
c1(NC(=O)CS(=O)CC(=O)NCC2CCCO2)sc2c(CCC2)c1C#N	EMOLS-id_320679017,MCULE-3458805082	395.496	FMLSXBSTYOSAQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122201
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC22_8020886,PC-id_9151022,MCULE-9871234346,EMOLS-id_2892186,CoCoCo_4194724	395.496	SBRSQTSFXBAIGQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122202
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)OCC)C)C(=O)N	PC-id_9431210	395.496	IXMLUZFXFSLUMO-NSHDSACASA-O	00000010100010000001000010000000000000000000000000000000	25-01-122203
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)C(=O)OCC)C)C(=O)N	PC-id_9431212	395.496	IXMLUZFXFSLUMO-LLVKDONJSA-O	00000010100010000001000010000000000000000000000000000000	25-01-122204
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)C(=O)OCC)C)C(=O)N	PC-id_85008275	395.496	IXMLUZFXFSLUMO-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-122205
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)NC(C)C)c(OC)cc1	PC-id_33040745	395.496	XGQPLVKITFNVCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122206
s1c2CCCc2nc1NC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1	PC-id_33039166	395.496	BBYVNFCFUPSHOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122207
c1(C(=O)N2CCC(CC2)N2CCCCC2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316324155,MCULE-6050912980	395.498	PYHSSOOTQYNZIV-FQEVSTJZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-122208
c1(C(=O)N2CCC(CC2)N2CCCCC2)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-5838593730	395.498	PYHSSOOTQYNZIV-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-122209
c1(C(=O)N2CCN(CC2)C2CCCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316329264,MCULE-9586928869	395.498	LXDQYUIOYNJYLZ-FQEVSTJZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-122210
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)CN3CCCCCC3)C2)n1	MCULE-7781285752,EMOLS-id_316331826	395.498	ANQARYUEFFTTCG-SFHVURJKSA-N	00000010100000110101000010000000000000000000000000000000	25-01-122211
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)CN3CCCCCC3)C2)n1	MCULE-4675447850	395.498	ANQARYUEFFTTCG-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-122212
CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c4c3CCC4)C1)CC2	ZINC22_1857671901	395.498	WBNXBOWMOSRYQJ-JOCHJYFZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-122213
CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3n[nH]c4c3CCC4)C1)CC2	ZINC22_1857671902	395.498	WBNXBOWMOSRYQJ-QFIPXVFZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-122214
CCCOc1ccccc1/C=c/1sc2nc(/C=C/c3cccs3)nn2c1=O	ZINC22_27022065,EMOLS-id_45970302	395.498	IZSFAFDAHGBSHT-GIYAWHNBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122215
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	EMOLS-id_45970256,ZINC22_27021943	395.498	QHAREKUWQHZRQJ-GIYAWHNBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122216
CCCOc1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_16807447	395.498	QHAREKUWQHZRQJ-QDNZWQKDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122217
CSc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324848893	395.498	VXLCNJOJWZEOOI-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122218
CSc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324867078	395.498	YYNZHKSEDYDSTA-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122219
n12nc(nc1sc(=Cc1ccccc1OCCC)c2=O)C=Cc1cccs1	MCULE-5530107917	395.498	IZSFAFDAHGBSHT-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122220
n12nc(nc1sc(=Cc1ccc(cc1)OCCC)c2=O)C=Cc1cccs1	MCULE-6624467883	395.498	QHAREKUWQHZRQJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122221
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)CCOc1ccccc1	MCULE-3443661175	395.498	VXLCNJOJWZEOOI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122222
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)COc1ccc(cc1)C	MCULE-4173348393	395.498	YYNZHKSEDYDSTA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122223
O=C1NCCN(C1CC(=O)NCc1n[nH]c2c1CCC2)CCCc1ccccc1	PC-id_56854341	395.498	CLBZGCQBRPFZMG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122224
O=C(c1nn2c(c1)CC(C2)Oc1ccncc1)N1CCN(CC1)C1CCCCC1	MCULE-6946077889	395.498	LXDQYUIOYNJYLZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-122225
O=C(Nc1ccccc1)CN1CCCC(C1)(C)CNC(=O)c1n[nH]c2c1CCC2	PC-id_146147938	395.498	DZTPGNHBZOYIMT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122226
s1c2CCCc2cc1C(=O)NNC(=O)c1c(Sc2ccccc2)nccc1	PC-id_24654568	395.498	MWDIDXJJYQSPMA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-122227
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)c1ccccc1)C#N	PC-id_9223679	395.498	HVZNBXJNYALLMM-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-122228
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(CCC)c(=O)[nH]n1)C)C(=O)N	PC-id_8460474	395.5	YWPSEBPNIUKLTK-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122229
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(CCC)c(=O)[nH]n1)C)C(=O)N	PC-id_8460475	395.5	YWPSEBPNIUKLTK-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122230
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCCC)c(=O)[nH]n1)C(=O)N	PC-id_32037423	395.5	IYWHQKPSXOJMIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122231
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(CCC)c(=O)[nH]n1)C)C(=O)N	PC-id_78702970	395.5	YWPSEBPNIUKLTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122232
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C(C)(C)C)C(=O)OC	PC-id_27046078	395.5	JSLWMFUVFPXQBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122233
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)CC(C)C)C(=O)OC	PC-id_36795240	395.5	PYPVVYGJTDWZDJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122234
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C(C)C)C(=O)OCC	PC-id_27139061	395.5	NGPBQVBRVNINOE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122235
c12CCC3(CCCN(C(=O)CC)C3)c1nc(C)nc2NCc1nnc2CCCn12	MCULE-6225010992,EMOLS-id_324313204,PC-id_154820718	395.501	NDANNUPYYOJFIS-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-122236
CCC(=O)N1CCC[C@]2(CCc3c2nc(C)[nH]c3=NCc2nnc3n2CCC3)C1	ZINC22_1857728812	395.501	NDANNUPYYOJFIS-NRFANRHFSA-N	00000010100010100001000010000000000000000000000000000000	25-01-122237
CCC(=O)N1CCC[C@@]2(CCc3c2nc(C)[nH]c3=NCc2nnc3n2CCC3)C1	ZINC22_1857728813	395.501	NDANNUPYYOJFIS-OAQYLSRUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-122238
CC(C(=O)Nc1c(c2c(s1)CCC2)C#N)Sc1nn(cn1)c1ccccc1	MCULE-9727770633,PC-id_86776648,EMOLS-id_49903545	395.501	QLGUEOMATZLHSZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122239
CCCSP(=S)(ON=C1n2c(OC)cnc2SC1(C)C)OCC	SCHEMBL11055631,PC-id_54295144	395.501	SAGVXRAHYAEHEF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122240
C[C@@H](Sc1ncn(c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_28764551	395.501	QLGUEOMATZLHSZ-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122241
C[C@H](Sc1ncn(c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_28764553	395.501	QLGUEOMATZLHSZ-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122242
N#Cc1c(NC(=O)c2sc(nc2C)c2ccc(cc2C)C)nc2n1CCS2	MCULE-2011851228,EMOLS-id_50323235,PC-id_60323861	395.501	XJLKBRKTMIASSE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122243
N#Cc1c(NC(=O)CSc2nc(c3ccccc3)cn2N)sc2c1CCC2	MCULE-6497465176,PC-id_16320886,CoCoCo_2832827,EMOLS-id_43694200,ZINC22_8134538	395.501	ZYJFXDHWXWMTHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122244
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)c1ccc(cc1)C)C#N	PC-id_7817910	395.501	KITBDEYSOHTOIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122245
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)C)C#N	PC-id_7895437	395.501	WTGIWNLCULMHRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122246
n12N=C(C(C)(C)C)C(=NNc3n[nH]c(C(C)(C)C)c3[N+]#[C-])c1nnc2C(C)(C)C	PC-id_59247754	395.505	CYISNISZUQATPB-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122247
CCOC(=O)c1c(NC(=O)CCCCCCCCC(=O)O)sc2CCCc12	MCULE-5796470891,EMOLS-id_327901905	395.513	JOHBMSZOFRSSML-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122248
CCOC(=O)c1c(NC(=O)N2CCN(CC2)[C@H](CO)CC)sc2c1CCC2	PC-id_142771227	395.516	CODXSORTIAOBQP-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122249
O=C(c1ccc(c2ccccc2)cc1)c1sc(Nc2ccccc2)c2c1CCC2	ZINC22_6258032,PC-id_4190947,CoCoCo_3758492,MCULE-4273805680,EMOLS-id_48976346	395.516	XIMBFDYQEBWWPT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-122250
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)(C)C)CC)C(=O)OC	PC-id_27202431	395.516	KKABXVPCARAFEJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122251
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N(CC)CC)C)C(=O)OCC	PC-id_8692397	395.516	FADLLLDBNIAZRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122252
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)(C)C)C)C(=O)OCC	PC-id_8766875	395.516	REUMSDIRUZDMNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122253
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)C)CC)C(=O)OCC	PC-id_8907362	395.516	WDQOTLNBYTWFHJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122254
c1(c2CCCc2sc1NCc1cccn1C)C(=O)Nc1ccccc1OCC	MCULE-4473657328,SPECS-id_AE-848/42024876,CoCoCo_6879716,PC-id_4055681,EMOLS-id_8206933,ZINC22_5714222	395.518	YBEMZNMJJJTODG-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-122255
c1(CN(Cc2ccco2)C(=O)c2ccccc2SCC)c2CCCc2n(C)n1	PC-id_86266526,EMOLS-id_50145226,MCULE-8252488236	395.518	LSCSLKDOBIRIDK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122256
c1(CN(Cc2ccco2)C(=O)CCSc2ccccc2)c2CCCc2n(C)n1	PC-id_86266535,MCULE-1267235883,EMOLS-id_50145244	395.518	RZESLYUMROXBET-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122257
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(=CC1)c1ccccc1	PC-id_17412081,EMOLS-id_11935314,MCULE-3132706651	395.518	DCQYAPSSKITCJB-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-122258
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CC=C(c2ccccc2)CC1	CoCoCo_4225936,PC-id_9495209,ZINC22_8377801,CoCoCo_4225937	395.518	DCQYAPSSKITCJB-AWEZNQCLSA-N	00000010100011110000100010000000000000000000000000000000	25-01-122259
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CC=C(c2ccccc2)CC1	CoCoCo_4225939,PC-id_9495211,CoCoCo_4225938,ZINC22_8377805	395.518	DCQYAPSSKITCJB-CQSZACIVSA-N	00000010100011110000100010000000000000000000000000000000	25-01-122260
CCOc1ccc(cc1)NC(=O)c1c(NCc2cccn2C)sc2c1CCC2	CoCoCo_306040,PC-id_1166859	395.518	CDDUESARJNHEDV-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-122261
N#Cc1c(NC(=O)C(N2CCC(CC2)c2ccc(cc2)O)C)sc2c1CCC2	EMOLS-id_98879344	395.518	JUPJBVIMRFMSBM-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-122262
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CSCc1ccccc1	PC-id_92109397	395.518	NVMJEGJBPNWEMY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122263
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)c1ccc(OC)cc1)C#N	PC-id_51302943	395.518	PTMJVRFXNRYVBM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-122264
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)c1cc(OC)ccc1)C#N	PC-id_55498492	395.518	HYSBSQAOWUFRAO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-122265
s1c2c(CCC2)c(c1NC(=O)CCN(C1CC1)Cc1ccc(OC)cc1)C#N	PC-id_51303115	395.518	ZVXPMLPVDTXHGG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-122266
s1c2c(CCC2)c(c1NC(=O)CCN(C1CC1)Cc1c(OC)cccc1)C#N	PC-id_48088078	395.518	BDEOQLUFMOXXKY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-122267
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCC1=CCCCC1	PC-id_16947050	395.518	NJRWJJVFMMKDRE-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-122268
c1(c(C)sc(c2ccno2)c1)S(=O)(=O)NCCc1sc2c(CCC2)n1	ZINC22_1506399952,EMOLS-id_316258581,MCULE-4886242990	395.519	RTFBQOMROCSPPD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-122269
c1(NC(=S)NNC(=O)c2csc(C)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4074010,MCULE-8333069355,TIMTEC325180,PC-id_4508444,CoCoCo_6797862	395.519	NAIODINWNODWJS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-122270
CC1CCCCN1C(=O)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100180274	395.52	NTPFSZMUXIQBOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122271
O=C(c1cc2n(n1)CCC2)N1CCN(CC1)S(=O)(=O)N(C1CCCCC1)C	EMOLS-id_101194909	395.52	XFRNMBHGGSPFSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122272
O=C(c1cnn2c1CCC2)N1CCN(CC1)S(=O)(=O)N(C1CCCCC1)C	EMOLS-id_101194921	395.52	KZVWGVFPEUQDST-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122273
O=C(c1n[nH]c2c1CCC2)N1CCN(CC1)S(=O)(=O)N(C1CCCCC1)C	EMOLS-id_98025987	395.52	NUPWFUFFMJIOEX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122274
O=C(N1CCCC(C1)S(=O)(=O)NC1CCCC1)NC1CC(n2c1ncc2)C	EMOLS-id_101576973	395.52	GUXIHYYYMMYDSM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122275
O=C(N1CCCCCC1)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100204951	395.52	XJLNXIRZVHYSBA-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-122276
O=C(NC1CCCCC1)CN1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100180523	395.52	OQXHJIWALBLNLI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122277
O=C(NC1CCCCC1)NC1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199241	395.52	CJKCMYBIAOQOBS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122278
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCCN1CCOCC1	PC-id_7685498	395.52	UCNTXMCNQFXLNG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122279
N#Cc1ccccc1N1CCCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102000096	395.521	MIFVGMYGMIBDFI-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-122280
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1n[nH]c(c1)c1cccs1	PC-id_92109700	395.521	UICLYYMOWXRMMU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-122281
s1c2CCCc2cc1C(=O)NN=Cc1c(n(c2n(ncc2)C(C)C)c(c1)C)C	PC-id_84939476	395.521	GCLQKHOIRBKQEC-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-122282
c1(c(C)sc(c2cc(n[nH]2)C)c1)S(=O)(=O)NCc1cn2c(SCC2)n1	ZINC22_1506404978,MCULE-9499733302,EMOLS-id_316238886	395.523	WQRJDHCWDMXQSQ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-122283
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC2CC2)nn1)C(=O)N	PC-id_8674535	395.523	NIZCKLIOPFCZRN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-122284
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC=C)nn1)C(=O)N	PC-id_7797434	395.523	RYWQQYOVYATYAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122285
CCCCCCCCCCOC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_102304605	395.534	FGHUBKAGUPJRSB-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122286
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCCCCCCCCC	PC-id_11661202	395.534	FGHUBKAGUPJRSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122287
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)OC(C)(C)C)Cc1ccccc1	EMOLS-id_324349284,MCULE-5568339181	395.538	JLWXSLJXMCKKJZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122288
CCCCOc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109762	395.538	UJKSRXOBTVDGJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122289
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)COc1ccc(cc1)C(C)C	PC-id_92109806	395.538	YLQFSSNJULEYAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122290
c1(NC(=O)CS(=O)CC(=O)N(CCC)CCC)sc2c(CCC2)c1C#N	EMOLS-id_320677993,MCULE-4928149858	395.539	JBWSMLLPRMCTBV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122291
c1(NC(=S)NNC(=O)CC2CCCCC2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4074024,MCULE-8756450708,PC-id_4508601,TIMTEC388772,CoCoCo_6797577	395.539	PTIJJBGUNMUUOH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-122292
CC(=O)N1CCN(C(=S)Nc2sc3c(c2C(=O)OC(C)C)CCC3)CC1	CHEMBL4530641	395.539	DACNEBYCIXNFMS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122293
COCCNS(=O)(=O)c1cccc(c1)CNC(c1sc2c(n1)CCC2)C	MCULE-1915355774,PC-id_75395438,EMOLS-id_48302764	395.539	HYEBDSMOKVDMMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122294
COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2nc3c(s2)CCC3)c1	PC-id_97251232,ZINC22_95451022	395.539	HYEBDSMOKVDMMJ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122295
COCCNS(=O)(=O)c1cccc(CN[C@H](C)c2nc3c(s2)CCC3)c1	PC-id_97251233,ZINC22_95451023	395.539	HYEBDSMOKVDMMJ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122296
N#Cc1c(NC(=O)C(N2CCS(=O)(=O)C(CC2)(C)C)C)sc2c1CCC2	EMOLS-id_101256856	395.539	QHRGPFMRNPVZDL-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-122297
CC(C)CC(=O)N1CCC(CNc2ccc(Cc3nnc4n3CCC4)cc2)CC1	ZINC22_585080782,MCULE-1528687690,EMOLS-id_177207373	395.541	YTBXPKDKCUHUFA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122298
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(c(ccc1)C)C)C#N	PC-id_8582968	395.541	UODZTSMRKKMFEV-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-122299
CCNC(=NCc1ccc(cc1)CN1CCCCC1)NCc1nnc2n1CCC2	PC-id_111020541	395.544	OGXHIEMLRVKTTD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122300
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(c1ccccc1)CC	PC-id_109545458	395.544	LZFLXPVHXGAOPK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122301
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C(C1)C)Cc1ccccc1	PC-id_109457830	395.544	TVXKCEZBWYQMOG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122302
c1(NC(=O)C2CCC(CC2)CCCC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_4088595,PC-id_5124226,EMOLS-id_5438303,MCULE-9067830136	395.559	AYQMTQNIGSLZHP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122303
CCCC[C@@H]1CC[C@@H](CC1)C(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C	CoCoCo_4982149	395.559	AYQMTQNIGSLZHP-GASCZTMLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122304
CCCC[C@@H]1CC[C@H](CC1)C(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C	CoCoCo_4982150	395.559	AYQMTQNIGSLZHP-SHTZXODSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122305
CC(C)(C)c1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324906498	395.561	KNVVZAIEWWZJCH-CYVLTUHYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-122306
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCC1CCCCC1	MCULE-7236594924	395.561	KNVVZAIEWWZJCH-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-122307
C[C@H]([C@@H]1[C@@H](CC(=O)c2nc3n(c2)CCS3)NC1=O)O[Si](C(C)(C)C)(C)C	SCHEMBL8812473,PC-id_57105801	395.592	FYNWHUAPANUJFZ-LALPHHSUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-122308
C[SiH](O[C@@](C(C)(C)C)([C@@H]1[C@@H](CC(=O)c2nc3n(c2)CCS3)NC1=O)C)C	SCHEMBL8812466	395.592	NKDWUJOTNUTGKI-YRILPIOLSA-N	00001010100000000001000010000000000000000000000000000000	25-01-122309
C[SiH](OC[C@@H](C(C)(C)C)[C@H]1[C@@H](CC(=O)c2nc3n(c2)CCS3)NC1=O)C	SCHEMBL8812481	395.592	QZNHRDOMSQJBSG-JMSVASOKSA-N	00001010100000000001000010000000000000000000000000000000	25-01-122310
S1c2n(cc(n2)C(=O)CC2NC(=O)C2C(O[Si](C(C)(C)C)(C)C)C)CC1	PC-id_76480711	395.592	FYNWHUAPANUJFZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-122311
C12=C(SC(=C1NSN2)I)I	PC-id_164180755	395.775	BBCHBICJSFNLTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122312
Clc1cc([N+](=O)[O-])c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_38930564	395.817	QCIKVEWRWXVTLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122313
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc([N+](=O)[O-])c1	PC-id_4003311	395.817	FFWFHVQFHKBMQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122314
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1Cl)N(=O)=O	EMOLS-id_328219510,MCULE-9750877980	395.839	FBJHCGPOBOMNOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122315
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(Cl)cc1N(=O)=O	EMOLS-id_328218227,MCULE-3976974609	395.839	XAIFGOUNVIXAJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122316
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(Cl)c(c1)N(=O)=O	EMOLS-id_328220533,MCULE-8727639890	395.839	NWOGOCPWFJULGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122317
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(Cl)ccc(c1)N(=O)=O	EMOLS-id_328220276,MCULE-3223376719	395.839	HUJBHNVVJXFOMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122318
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68440774,SCHEMBL2918960	395.842	LIAHZSJTSVIJRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122319
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68441830,SCHEMBL2922078	395.842	FYFCDNZKMZEHPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122320
Clc1ccc(cc1)C(=O)Nn1ncc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL7161365,PC-id_70008396	395.842	VIGNTTCUHIGCPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122321
Clc1ccc(C(=O)Nc2c(C(=O)NCc3n4CCCc4nn3)cccc2)cc1	PC-id_52709920	395.842	BWQFKRHZBGCZQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122322
Clc1c(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)NCc2ccccc2)cccc1	PC-id_68439558,SCHEMBL2915289	395.842	AZOISAANBGUUEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122323
Clc1c(C(=O)Nn2ncc3c2CN(C3)C(=O)NCc2ccccc2)cccc1	SCHEMBL7160539,PC-id_70008146	395.842	KZJFTNFUUDPSFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122324
CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1C(C)OC2	SCHEMBL2163568,PC-id_67301093	395.857	RVFRBLSUVTYSFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122325
Cc1ccc(/C=C/c2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324920323	395.862	GFVWBFDDASDTKX-GIBFOZDASA-N	00000000100000110001000010000000000000000000000000000000	25-01-122326
COc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_27022601	395.862	SMAOQCGFRNAGQR-OENGIGCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122327
COc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_45964741,ZINC22_16734957	395.862	SMAOQCGFRNAGQR-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-122328
COc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_45970344,ZINC22_27022194	395.862	ZBAWLMMGVMRVNH-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-122329
COc1ccc(/C=C/c2nc3s/c(=C/c4ccccc4Cl)/c(=O)n3n2)cc1	ZINC22_16807437	395.862	ZBAWLMMGVMRVNH-OENGIGCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122330
COc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_45970490,ZINC22_27022501	395.862	JIKVKBKDVJHVST-VXGMZCCXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122331
COc1ccc(/C=C/c2nc3s/c(=C/c4cccc(Cl)c4)/c(=O)n3n2)cc1	ZINC22_16807438	395.862	JIKVKBKDVJHVST-KQOXKNJESA-N	00000000100000110001000010000000000000000000000000000000	25-01-122332
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_45970348,ZINC22_27022209	395.862	OUMUIWLPWJRIDH-PWFSRHFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122333
COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(Cl)cc4)/c(=O)n3n2)cc1	ZINC22_16807440	395.862	OUMUIWLPWJRIDH-VFLBTRNGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122334
COc1cccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_27022603	395.862	IIFLAFAKOJYAIB-KQOXKNJESA-N	00000000100000110001000010000000000000000000000000000000	25-01-122335
COc1cccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_45964731,ZINC22_16734944	395.862	IIFLAFAKOJYAIB-VXGMZCCXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122336
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)C=Cc1ccc(cc1)OC	MCULE-8265675104	395.862	ZBAWLMMGVMRVNH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122337
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)C=Cc1ccc(cc1)OC	MCULE-8408070174	395.862	OUMUIWLPWJRIDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122338
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2182280804	395.862	ZPEFFGZQHJAETO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122339
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8081969212	395.862	SMAOQCGFRNAGQR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122340
n12nc(nc1sc(=Cc1cccc(Cl)c1)c2=O)C=Cc1ccc(cc1)OC	MCULE-3925291836	395.862	JIKVKBKDVJHVST-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122341
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4521275282	395.862	IIFLAFAKOJYAIB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122342
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)C=Cc1ccc(cc1)C	MCULE-1578403852	395.862	GFVWBFDDASDTKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122343
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccc(Cl)c(F)c1	EMOLS-id_331262061	395.875	IBYWVCGHRLSMCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122344
Clc1ccc(C(c2n3CC(Cc3cc2)(CO)C)(c2ccccc2)C(=O)O)cc1	PC-id_22500696,SCHEMBL6505676	395.879	ZGEPJAKRJBGVEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122345
CN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1c(F)cccc1Cl	ZINC22_57451097,CoCoCo_3585590,CoCoCo_3585589,PC-id_9197419,MCULE-7317327436,EMOLS-id_24993801	395.879	ZNRQLMGRBPYGPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122346
Clc1ccc(cc1)/C=C/C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_117054879	395.882	AYGTXPKVVNPMJH-FMIVXFBMSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122347
Clc1ccc(cc1)C=CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109524	395.882	AYGTXPKVVNPMJH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122348
n1c(CNC(=O)CC(c2cccc(O)c2)c2ccccc2Cl)c2c(CCC2)[nH]1	MCULE-7369568054,PC-id_45180657,EMOLS-id_20444271	395.882	ZSDJNYSJHNIDJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122349
n1c(CNC(=O)CC(c2cccc(O)c2)c2cccc(Cl)c2)c2c(CCC2)[nH]1	MCULE-2421168405,EMOLS-id_20672295,PC-id_45233792	395.882	SMPGVOIUBQSBQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122350
O=C(C[C@@H](c1cccc(O)c1)c1ccccc1Cl)NCc1n[nH]c2c1CCC2	CoCoCo_1192318,CoCoCo_1192316,GD-id_ZINC11935038,PC-id_42288765,ZINC22_11935038	395.882	ZSDJNYSJHNIDJK-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122351
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1CC3=CC(=CC(=C3)F)C(F)(F)F	PC-id_161309720	396.082	VISKYEQHMSCRQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122372
O=C(C[C@H](c1cccc(O)c1)c1ccccc1Cl)NCc1n[nH]c2c1CCC2	PC-id_42288764,CoCoCo_1192315,ZINC22_11935037,CoCoCo_1192317	395.882	ZSDJNYSJHNIDJK-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122352
O=C(C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1)NCc1n[nH]c2c1CCC2	CoCoCo_1527769,PC-id_42520617,CoCoCo_1527771,ZINC22_12307293	395.882	SMPGVOIUBQSBQS-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122353
O=C(C[C@H](c1cccc(O)c1)c1cccc(Cl)c1)NCc1n[nH]c2c1CCC2	CoCoCo_1527772,CoCoCo_1527770,PC-id_42520616,ZINC22_12307292	395.882	SMPGVOIUBQSBQS-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-122354
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)/C=C/c1ccccc1Cl	PC-id_117054874	395.882	DUTDLYDXBCHEDD-VAWYXSNFSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122355
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C=Cc1ccccc1Cl	PC-id_92109283	395.882	DUTDLYDXBCHEDD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122356
CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N	BindingDB_PC-id_44324248,CHEMBL90979,BindingDB-id_154661,PC-id_44324248	395.884	OUTMNADPPHQKCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122357
CC(NC(=O)Cc1c2C(CCn2c(=S)n1C)Cc1cc(Cl)ccc1F)C	SCHEMBL21136465,PC-id_139293969	395.922	PKRXOTAVANHKAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122358
c1(NC(=O)CSc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_1654227,MCULE-5452986705,EMOLS-id_30110076,ZINC22_1927545,ChEMBL-DNDi_CHEMBLF1016-0731,CoCoCo_5021933	395.923	VSYMMXQGDLEYEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122359
Clc1ccc(SCCNC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_7627924	395.923	VZMJXKYFOGVQIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122360
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(SC)cc1	PC-id_24049418	395.923	YQFBQXNJTLGYDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122361
Clc1c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_7761011	395.923	BHFLSOSLNIUPGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122362
COC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCC2	PC-id_7545758,ZINC22_5191903	395.923	GFQOJGIFNIPKNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122363
COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408563813	395.923	RCZWDQUAKXQUAP-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-122364
COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408563815	395.923	RCZWDQUAKXQUAP-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122365
COC(=O)c1c(NC(=O)CSCc2ccccc2Cl)sc2c1CCC2	ZINC22_408574939	395.923	GTVIUIRQOKNJRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122366
COC(=O)c1c(NC(=O)CSCc2cccc(Cl)c2)sc2c1CCC2	ZINC22_408576315	395.923	SFFONVBFSPSHOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122367
COC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408563189	395.923	KAZCSVABLZZNBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122368
Clc1c(CCP(=C)(C)C)cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C	PC-id_59932967	395.93	BWEUYQLYFDKZDV-UZYVYHOESA-N	00000010100000110001000010000000000000000000000000000000	25-01-122369
Clc1cncc(n1)N1CCN(CC1)CCCCN1Sc2c(C1)csc2	PC-id_140349196	395.973	YDBVLDGFGPSYLL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-122370
Clc1nccnc1N1CCN(CC1)CCCCN1Sc2c(C1)csc2	PC-id_140349197	395.973	GXWAOPWIWIJCKG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-122371
CN1C=C(C=C1C(=O)NC2=C(C3=C(S2)CCC3)C(=O)C4=CC=NC=C4)[N+](=O)[O-]	PC-id_154801049	396.089	HNKUTZFFNRDRKH-UHFFFAOYSA-N	00000010110000101000000010000000000000000000000000000000	25-01-122373
CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]	PC-id_154802734	396.089	YTPRSUAWMDOWKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122374
CC1=NC2=C(N1C)CN(C2)C(=O)NC3=C(C=CC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]	PC-id_155171396	396.135	HRUJHSIQXRIAFR-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-122375
FC(F)(F)C1(n2c(nnc2C)C(N1)(C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_21827738	396.136	MOMLSLTXXBXGBA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122376
CC1(NC2=C(O1)N(C=N2)[N+](=O)[O-])COCC3=CC=C(C=C3)OCC4=CC=CC=C4	PC-id_153979512	396.143	WBGABEXZOFOASQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122377
CC1=C(N2CCCC2=C1C(=O)C(=O)NC(C)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_160120502	396.16	PVJMGWQPEHMKRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122378
Brc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCn2c1ncc2	EMOLS-id_316727026	396.183	ZGZPRSRVPJIABL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122379
Brc1ccc(cc1S(=O)(=O)N1Cc2c(C1)cn[nH]2)C(F)(F)F	EMOLS-id_316610620	396.183	WEZITHFAIHXXLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122380
Brc1cc(oc1)C(=O)c1n2CC(C(c2cc1)(C)C(=O)OC(=O)O)C	PC-id_53959231	396.189	JJTPXCGETDQQOV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-122381
Brc1cc(oc1)C(=O)c1n2c(C(CC2)(C(=O)OC)C(=O)OC)cc1	SCHEMBL11061339,PC-id_20454727	396.189	MEFZONNZFLPQPP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-122382
CC1=NN(C(=C1)NC2=C(C(=CC(=C2)O)O)C(=O)N3CC4=C(C3)NN=C4)C(C)(C)C	PC-id_164607528	396.191	KADLAPPOVLMTJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122383
OC(=O)N1C[C@H](n2c1c(C(=O)O)c(n2)Br)COCc1ccccc1	SCHEMBL18740208	396.193	YQCYCZHLISPGDQ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-122384
OC(=O)N1CC(n2c1c(C(=O)O)c(n2)Br)COCc1ccccc1	SCHEMBL18740210	396.193	YQCYCZHLISPGDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122385
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCc2nn(C)c(Cl)c2Cl)n1	ZINC22_20607547,EMOLS-id_8867946,MCULE-5751226552,PC-id_19591202	396.195	GRCQMCBPIHISKU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122386
COc1cc(C=c2sc3ncnn3c2=O)cc(Br)c1OC(=O)C	MCULE-8418842524,ZINC22_254822678	396.216	UJRNGWJUEMYLHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122387
COc1cc(/C=c/2sc3ncnn3c2=O)cc(Br)c1OC(=O)C	ZINC22_16265420,EMOLS-id_2453493	396.216	UJRNGWJUEMYLHE-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122388
c1(N(=O)=O)nn(cc1Br)CC(=O)Nc1sc2c(CCC2)c1C#N	STOCK2S-86885,PC-id_1239298,TIMTEC295724,EMOLS-id_4464875,MCULE-8406956761,CoCoCo_1713802,ZINC22_1025527	396.219	LTNWINJYZAZPQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122389
CCOC(=O)c1cccc(c1)C(=O)c1c(Cl)c(c2n1CCC2C(=O)O)Cl	PC-id_20404978,SCHEMBL11006190	396.221	UVDPFBPJWZMMBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122390
Clc1c(C(=O)c2n3CC(C(c3cc2)(C)C(=O)OC(=O)O)C)ccc(Cl)c1	PC-id_20073593	396.221	UNQDZZQMRADATG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122391
Clc1c(C(=O)c2n3c(C(CC3)(C(=O)OC)C(=O)OC)cc2)ccc(Cl)c1	SCHEMBL9792286,PC-id_67929236	396.221	PDFCYXAVUHCDIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122392
Clc1c(n2c(C(CC2)(C(=O)OC)C(=O)OC)c1)C(=O)c1ccc(Cl)cc1	SCHEMBL11057936,PC-id_12915915	396.221	OHDKZYVXCHFPJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122393
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2)I)n1	EMOLS-id_330992889,MCULE-6683912851	396.223	RLRQGBGNPWHQIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122394
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccccc2I)n1	MCULE-9794812785,EMOLS-id_330993401	396.223	QASCCBAWQSSDDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122395
c1(C(=O)OC)c2C(C)CCc2n(Cc2cccc(I)c2)n1	EMOLS-id_330993145,MCULE-3166751305	396.223	AKGWBNJBHBIFMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122396
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1)I	EMOLS-id_330974645,MCULE-1960585958	396.223	OUJSBRDBOXJJET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122397
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccccc1I	MCULE-7320437217,EMOLS-id_330975157	396.223	RPEBGCGTFRDOGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122398
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cccc(I)c1	EMOLS-id_330974901,MCULE-6504009329	396.223	RXPCXPXQIKQIOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122399
Brc1ccc(C(=O)c2n(c3c(OC(=O)C3)c2)Cc2ccccc2)cc1	PC-id_18424321,SCHEMBL7681025	396.234	PWYVIEJHKUHRDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122400
Brc1c(NC(=O)NCc2n3CCCc3nn2)cc(OC)c(OC)c1	PC-id_60569793	396.239	KHSDXYILKZDQOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122401
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cnc1Cl	PC-id_8021577	396.248	XBDMXFQRVSZCBL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122402
N#Cc1c(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)sc2c1CCC2	CoCoCo_2860587,PC-id_9108742,EMOLS-id_11689020,ZINC22_7980570,MCULE-9909649832	396.248	WMRCTAYRFFWVIT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122403
Brc1ccc(C(=O)c2n3CCC(OC(=O)O)c3cc2SC)cc1	SCHEMBL10816722,PC-id_70450226	396.256	ZAXIMKOCTDFBKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122404
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccc(S(=O)C)cc1	SCHEMBL11274449,PC-id_20528130	396.256	JZWXXRMVTTZWRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122405
COc1cccc(c1)CC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	EMOLS-id_319938904,MCULE-4509234701	396.256	OVTONEXANLJNNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122406
COC(C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)c1ccccc1	MCULE-5467497704,EMOLS-id_319209980	396.256	BYEMBNGBQCRSEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122407
CO[C@@H](C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)c1ccccc1	EMOLS-id_319209724	396.256	BYEMBNGBQCRSEH-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122408
COC(=O)c1sc2CN(Cc2c1Br)C(=O)OCc1ccccc1	EMOLS-id_331260271	396.256	QHPSVOJZCNHWCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122409
C[S+]([O-])c1cc2n(c1C(=O)c1ccc(Br)cc1)CCC2C(=O)O	PC-id_14570944,SCHEMBL10809956,CHEMBL418739	396.256	BLIQSPOMTUZSPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122410
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)COc1ccccc1C	EMOLS-id_320297361,MCULE-7259215010	396.256	OSCFHSLAWZGBEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122411
CC(c1ncncc1C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	EMOLS-id_278913555	396.259	WRBKZKWLJVIYNR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-122412
CCCc1nc2s/c(=Cc3cc(Br)c(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324849377	396.259	MEJGUBNLTMIZNB-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122413
CN(c1ncccc1C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	MCULE-9962325330,EMOLS-id_320333981	396.259	OAUYMXWHXBPTHD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122414
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc(Br)c1O	EMOLS-id_324847339	396.259	PUUOICQRBOOHDE-WDZFZDKYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122415
n12c(=O)c(=Cc3cc(c(O)c(Br)c3)OC)sc1nc(C(C)C)n2	MCULE-2591445881	396.259	PUUOICQRBOOHDE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122416
n12nc(nc1sc(=Cc1cc(c(O)c(Br)c1)OC)c2=O)CCC	MCULE-4655734238	396.259	MEJGUBNLTMIZNB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122417
OC(=O)c1sc2c(c1Br)CN(C2)C(=O)c1n(C)ncc1C1CC1	EMOLS-id_278913179	396.259	WZJJJWDVOGPHSD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-122418
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)OCCC	EMOLS-id_330980600,MCULE-5655748438	396.266	BQZYYHUKRUKXNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122419
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)OC(C)C	MCULE-3374640228,EMOLS-id_330980856	396.266	QATOKAHDBGAHMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122420
CCCOc1ccc(Cn2nc3CCC(C)c3c2I)cc1	MCULE-5642084394,EMOLS-id_330964660	396.266	YADREGOHZHYFLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122421
CC(C)Oc1ccc(Cn2nc3CCC(C)c3c2I)cc1	MCULE-9899275124,EMOLS-id_330964916	396.266	CDKNVRLCYFYWFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122422
CCOc1cccc(c1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330961087,MCULE-6123957006	396.266	CPZUADSHDWHZRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122423
CCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1I	MCULE-2695200150,EMOLS-id_330963900	396.266	ADAKSQCIONZYBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122424
CCOc1ccc(Cn2nc3CCC(C)c3c2I)cc1C	MCULE-2229208377,EMOLS-id_330961333	396.266	VMDQXIFVOXAYSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122425
CCOc1ccc(Cn2nc3CCC(C)c3c2I)c(C)c1	MCULE-1897319098,EMOLS-id_330963380	396.266	JYEHMCHHGMWLPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122426
CCOc1ccc(Cn2nc(I)c3C(C)CCc23)cc1C	EMOLS-id_330981368,MCULE-8852187265	396.266	ODYWSHGMFIXFJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122427
CCOc1ccc(Cn2nc(I)c3C(C)CCc23)c(C)c1	MCULE-1018577528,EMOLS-id_330979320	396.266	AMBIGWCIMAXLNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122428
COc1ccc(cc1C)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330962364,MCULE-8468121877	396.266	QETHHRAZODWEGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122429
COc1c(C)cc(Cn2nc3CCC(C)c3c2I)cc1C	EMOLS-id_330961077,MCULE-4612021338	396.266	CBEJIWJOEQPOOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122430
COc1cc(C)c(Cn2nc3CCC(C)c3c2I)cc1C	MCULE-9525248213,EMOLS-id_330964404	396.266	GUTCQOYPLNLFEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122431
COc1ccc(C(C)n2nc3CCC(C)c3c2I)c(C)c1	MCULE-8296273797,EMOLS-id_330962620	396.266	POTNQYBHXSZQOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122432
COc1c(C)cc(Cn2nc(I)c3C(C)CCc23)cc1C	EMOLS-id_330981112,MCULE-1026962439	396.266	YCOIZFGNBUWQHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122433
COc1cc(C)c(Cn2nc(I)c3C(C)CCc23)cc1C	MCULE-2204259538,EMOLS-id_330980344	396.266	FPUVNPCXPVLWEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122434
COc1ccc(Cn2nc3CCC(C)c3c2I)c(C)c1C	EMOLS-id_330964148,MCULE-8135393618	396.266	YBDKQVXZCBQUNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122435
COc1ccc(Cn2nc(I)c3C(C)CCc23)c(C)c1C	EMOLS-id_330980088,MCULE-1484763147	396.266	ZLELYCPNXFHWID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122436
CC(NC(=O)C1CCc2n1c(CNC(=O)c1ccc(cc1Cl)Cl)nn2)C	PC-id_118740517	396.271	ZQGVGRXIXGRURB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122437
c1(/N=C/c2cc(Br)ccc2F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_27037112,TIMTEC437166,ZINC22_1436711,CoCoCo_1940311,MCULE-1884590081,PC-id_9600325	396.274	RVNQGRMUVUDYEM-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122438
c1(N=Cc2cc(Br)ccc2F)sc2c(CCC2)c1C(=O)OCC	PC-id_1514748,MCULE-8917821026	396.274	RVNQGRMUVUDYEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122439
CCOC(=O)c1c(/N=Cc2cc(Br)ccc2F)sc2c1CCC2	CoCoCo_1940312	396.274	RVNQGRMUVUDYEM-UKWGHVSLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122440
CCN(CC)C1=NC(=C(C=C1)N=C2C(=NN3C2=NN=C3[C@H](C)NCC(C)C)C)C	PC-id_146866847	396.275	SMHTZSCEXOHCOX-INIZCTEOSA-N	00000011100000101001000010000000000000000000000000000000	25-01-122441
Brc1cc2c(s1)C(=O)N(C2)CC[C@@](S(=O)(=O)C)(C(=O)O)C	SCHEMBL18587246	396.277	WRBVJIVFIGLBHT-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122442
Brc1cc2c(s1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)O)C	SCHEMBL18588128	396.277	WRBVJIVFIGLBHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122443
CCC(CC)c1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324855523	396.277	UEJKXRURLFVIJL-QPEQYQDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122444
CCC(CC)c1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324850415	396.277	JFFOVVFMOMAMPT-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122445
n12c(=O)c(=Cc3ccc(Br)cc3F)sc1nc(C(CC)CC)n2	MCULE-6206128132	396.277	UEJKXRURLFVIJL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122446
n12c(=O)c(=Cc3ccc(c(Br)c3)F)sc1nc(C(CC)CC)n2	MCULE-1330244866	396.277	JFFOVVFMOMAMPT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122447
Brc1oc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)cc1	PC-id_4955487	396.282	NCEHRKOGKNEQAP-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-122448
c1(NC(=O)C=Cc2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-7915116915,PC-id_2931783	396.288	JTAPBKDSRVRVPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122449
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-9180446221,PC-id_1219751	396.288	BBIJCBRUAKPTSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122450
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-9835161440,PC-id_4130160	396.288	YGLYCXSPTLOZPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122451
Clc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1Cl	PC-id_1663551	396.288	YGLYCXSPTLOZPM-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122452
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2Cl)Cl)sc2c1CCC2	CoCoCo_6778919	396.288	BBIJCBRUAKPTSP-VURMDHGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122453
COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2	PC-id_1219752,TIMTEC69503,SPECS-id_AK-968/11841163,ZINC22_994621,CoCoCo_6778918,EMOLS-id_26780497	396.288	BBIJCBRUAKPTSP-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122454
COC(=O)c1c(NC(=O)/C=Cc2c(Cl)cccc2Cl)sc2c1CCC2	CoCoCo_899802	396.288	JTAPBKDSRVRVPL-HJWRWDBZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122455
COC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCC2	EMOLS-id_25950126,CoCoCo_899801,PC-id_1290911,ZINC22_1112770,TIMTEC248512	396.288	JTAPBKDSRVRVPL-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122456
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(c(Cl)c2)Cl)C1	MCULE-4564627678,EMOLS-id_323400866	396.291	YQUYYHQLVDOHLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122457
Brc1cc(sc1)C(=O)c1n2c(C(CC2)C(=O)OC(C)C)cc1C	SCHEMBL11662641,PC-id_20356082	396.299	ZBYCVPDBYFSJHX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-122458
Brc1c(scc1)C(=O)c1n2c(C(CC2)C(=O)OC(C)C)cc1C	SCHEMBL11664925,PC-id_20356092	396.299	PQLWKXCQTUFXBK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-122459
Brc1sc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2C)cc1	PC-id_20356102,SCHEMBL11660370	396.299	HQBGAQDAJJZHDM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-122460
c1(C(=O)OCC)c2CCCc2sc1NCc1cc(Br)ccc1O	MCULE-9446688497,CoCoCo_6876802,EMOLS-id_3738288,STOCK3S-11084,ZINC22_708899,PC-id_1038106,SPECS-id_AE-848/12530131	396.299	XYTNHUSCEBQUEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122461
Brc1cccc(c1)C1CCN(C1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_101325648	396.302	FSHOKZCFKBQVCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122462
Brc1cc(C[NH2+]C(c2n3CCCc3nn2)C)cc(OC)c1OCC	PC-id_75889726	396.302	NLYGGRMDVYGATR-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-122463
Brc1cc(C[NH2+][C@H](c2n3CCCc3nn2)C)cc(OC)c1OCC	PC-id_52640843	396.302	NLYGGRMDVYGATR-NSHDSACASA-O	00000010100000110001000010000000000000000000000000000000	25-01-122464
Brc1cc(C[NH2+][C@@H](c2n3CCCc3nn2)C)cc(OC)c1OCC	PC-id_52640845	396.302	NLYGGRMDVYGATR-LLVKDONJSA-O	00000010100000110001000010000000000000000000000000000000	25-01-122465
Brc1oc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cc1	PC-id_44060325	396.302	KFQNVJGRKZNCQO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-122466
c1(NC(=O)c2cccc(Br)c2)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_5442743,PC-id_2050925,ChEMBL-DNDi_CHEMBLF0561-0388,MCULE-9384076336	396.302	SBRXFBPGFSLXIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122467
c1(NC(=O)c2ccccc2Br)n(C(C)(C)C)nc2CS(=O)Cc12	ChEMBL-DNDi_CHEMBLF0561-0379,EMOLS-id_5442735,MCULE-2807993888,PC-id_2050919	396.302	DIRDCQZDTUZYQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122468
c1(NC(=O)c2ccc(cc2)Br)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-6093130829,PC-id_2160337,CHEMBL1527201,EMOLS-id_4933853,ChEMBL-DNDi_CHEMBLF0561-0397,PD110094	396.302	YQCPJIIUVUCIBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122469
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)cc1)C[S@](=O)C2	PC-id_11863858,ZINC22_4106046,CoCoCo_4985255	396.302	YQCPJIIUVUCIBZ-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122470
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)cc1)C[S@@](=O)C2	ZINC22_2724970,CoCoCo_4985256,PC-id_11877709	396.302	YQCPJIIUVUCIBZ-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122471
CC(C)(C)n1nc2c(c1NC(=O)c1cccc(Br)c1)C[S@](=O)C2	CoCoCo_4985243,ZINC22_4106044,PC-id_11863404	396.302	SBRXFBPGFSLXIX-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122472
CC(C)(C)n1nc2c(c1NC(=O)c1cccc(Br)c1)C[S@@](=O)C2	CoCoCo_4985244,PC-id_11877708,ZINC22_2456803	396.302	SBRXFBPGFSLXIX-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122473
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1Br)C[S@](=O)C2	CoCoCo_4985231,PC-id_11863403,ZINC22_4106041	396.302	DIRDCQZDTUZYQD-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122474
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1Br)C[S@@](=O)C2	CoCoCo_4985232,ZINC22_2456799,PC-id_11877707	396.302	DIRDCQZDTUZYQD-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122475
O=C(c1c(Br)nc2n1CCC2)N1CCN(CC1)Cc1cncs1	EMOLS-id_316600249	396.305	RTHNBWBYRLYESU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122476
c1(NC(=S)NC(=O)c2cccc(Cl)c2Cl)sc2c(CCC2)c1C#N	MCULE-9830660700,ZINC22_4703959,EMOLS-id_4074448,PC-id_4511157,CoCoCo_6196376	396.314	PMWNDWZJXIHJTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122477
Clc1cc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)cc(Cl)c1	PC-id_17133869	396.314	XEIKTJLVVGAJGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122478
Clc1c(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)ccc(Cl)c1	PC-id_4955470	396.314	DDDRYQLLGFUZGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122479
Clc1c(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)ccc(Cl)c1	PC-id_44060378	396.334	PPTPXLANKGXAMC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122480
Clc1c(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cc(Cl)cc1	PC-id_44060379	396.334	DKCBWRJAQQVLGP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122481
c1csc(c1)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O	PC-id_135441689	396.344	YETBKAPGYYOGBZ-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-122482
c1csc(c1)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O	PC-id_135428264	396.344	LENXWRRRAJEBFN-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-122483
c1csc(c1)C(=O)[C@@H](c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O	PC-id_136748783	396.344	LENXWRRRAJEBFN-RXMQYKEDSA-N	00000011100100000001000010000000000000000000000000000000	25-01-122484
c1csc(c1)C(=O)[C@H](c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O	PC-id_136748784	396.344	LENXWRRRAJEBFN-YFKPBYRVSA-N	00000011100100000001000010000000000000000000000000000000	25-01-122485
Nc1nnc2n1C(=O)C(=N2)C(C(=O)c1cccs1)C1=Nc2nnc(N)n2C1=O	LI_194272,PC-id_343432,CoCoCo_5636927,ZINC22_16942939,NSC382885	396.344	DAHBGJOHKXPTOV-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-122486
O=C1N=C(n2c1nnc2N)C(C1=Nc2n(C1=O)c(nn2)N)C(=O)c1cccs1	SPECS-id_AT-225/NB55285,PC-id_3478691	396.344	NQEMYWFOUQOASU-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-122487
CC(=CCCC(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O)C	PC-id_135438677	396.363	HMDKMUBAJOYNEG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122488
CC(=CCCC(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O)C	PC-id_135408910	396.363	VVFZMLCAOIXZEM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122489
CC(=CCCC(=O)C(C1=Nc2nnc(N)n2C1=O)C1=Nc2nnc(N)n2C1=O)C	CoCoCo_5636929,LI_194274,PC-id_343434,ZINC22_8655811,NSC382887	396.363	MMLAYHHFMUWLML-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122490
CC(=CCCC(=O)[C@@H](c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O)C	PC-id_136905661	396.363	VVFZMLCAOIXZEM-QMMMGPOBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122491
CC(=CCCC(=O)[C@H](c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O)C	PC-id_136905662	396.363	VVFZMLCAOIXZEM-MRVPVSSYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122492
CC(=CCCC(=O)[C@@H](C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n12)C	ZINC22_19879474	396.363	WQTTZGFOMNIZQH-QMMMGPOBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122493
CC(=CCCC(=O)[C@H](C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n12)C	ZINC22_19879477	396.363	WQTTZGFOMNIZQH-MRVPVSSYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122494
N1=C(n2c(C1=O)nnc2N)C(C(=O)CC/C=C(C)/C)C1=Nc2n(C1=O)c(N)nn2	PC-id_3460528,MCULE-4058382290,SPECS-id_AT-225/NB55289	396.363	WQTTZGFOMNIZQH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-122495
c12CN(Cc1nn(CC(F)(F)F)c2C(=O)NCC)C(=O)OCc1ccccc1	EMOLS-id_324357731,MCULE-1038685550	396.364	NJQAYQXAIFMYCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122496
CCN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758540	396.364	FUWNBKKWVFFHMB-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-122497
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)C(F)(F)F)CNC2(C)C	SCHEMBL12879095,PC-id_58015620	396.364	DEVXVVMPDGIZDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122498
FC(F)(F)CNC(=O)c1cc(NC(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_60455279	396.367	HRGVGPANQXRUBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122499
O=C(C(=O)C1Cn2c(C1)cc(c2C(=O)N)C)NC1(CC(C1)(F)F)C(=O)N(C)C	PC-id_141757328	396.388	WAQCJOOTXACVMA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-122500
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cc(F)ccc2F)n1	MCULE-1603006226	396.39	WPWHWOPUIMPTAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122501
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2cc(F)ccc2F)n1	MCULE-6782247909,EMOLS-id_316333875	396.39	WPWHWOPUIMPTAC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122502
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccc(c(F)c1)F	MCULE-3679667710	396.39	UBIPGOZCHIUODK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122503
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(c(F)c1)F	EMOLS-id_316255734,MCULE-2104139323	396.39	UBIPGOZCHIUODK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122504
Fc1ccc(cc1)C(=O)N1Cc2c(C1(C)C)n(nc2)NC(=O)c1ccccc1F	PC-id_68441970,SCHEMBL2922417	396.39	GLFXYGMJZXMEPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122505
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)c1ccc(cc1)F	PC-id_139982980	396.39	GGTNJKLTXFOMII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122506
Fc1ccc(cc1)C(=O)Nn1ncc2c1C(C)(C)N(C2)C(=O)c1ccc(cc1)F	SCHEMBL2921959,PC-id_68441785	396.39	HNNSJBBPPKYMFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122507
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(cc3)F)n2)sc2c(CCC2)c1C#N	MCULE-6689169800,EMOLS-id_322819627	396.395	RELUEKFOFBMJRD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122508
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)F)c2=O	MCULE-1279915212	396.395	QOESVVQDTKXARP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122509
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)F)c2=O	MCULE-6477057037	396.395	MJGAYPOOECWVFO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122510
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)F)c2=O	MCULE-9118528108	396.395	XFXYLDNNBJRRHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122511
n1(c2ccccc2F)c(=O)cc(c(C(=O)Nc2sc3c(CCC3)c2C#N)n1)O	MCULE-5397545666,EMOLS-id_322819371	396.395	UAYSELJSGIUUEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122512
O=C(COc1ccc(/C=c/2sc3ncnn3c2=O)cc1)Nc1ccc(F)cc1	ZINC22_256055871,PC-id_117588518	396.395	XFXYLDNNBJRRHM-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122513
O=C(COc1cccc(/C=c/2sc3ncnn3c2=O)c1)Nc1ccc(F)cc1	ZINC22_256055712,PC-id_117588444	396.395	QOESVVQDTKXARP-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122514
Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)c1ccn2c1CCC2	ZINC22_1875271642	396.407	XTZVIWOUHPJEOR-INIZCTEOSA-N	00000010100010000001100010000000000000000000000000000000	25-01-122515
Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)c1ccn2c1CCC2	ZINC22_1875271643	396.407	XTZVIWOUHPJEOR-MRXNPFEDSA-N	00000010100010000001100010000000000000000000000000000000	25-01-122516
Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F	BindingDB_PC-id_54013289,PC-id_54013289	396.407	KTWHHFUQOHNBFT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122517
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OC(F)F)c(OC)c1	PC-id_85015472	396.408	GSRGHRDFNTYNDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122518
s1c2c(CCC2)c(c1NC(=O)CNc1c(OC(F)F)cccc1)C(=O)OC	PC-id_24406547	396.408	LVWOQAZWCWGGPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122519
CCNC(=NCc1ccc(cc1)OCC(F)(F)F)NCc1nnc2n1CCC2	PC-id_111020139	396.41	PKWZDMFVSACODO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122520
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)COCC(F)(F)F	PC-id_111020573	396.41	IKKXWDWKNMDYDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122521
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OCC(F)(F)F)C	PC-id_109608160	396.41	KGRHEUADLIVHKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122522
c1(NC(=O)c2ccc(cc2F)F)c2CSCc2nn1CC(=O)NCCOC	CoCoCo_5277569,ZINC22_23138949,PC-id_30862272,EMOLS-id_24913271,MCULE-9767412009	396.412	ODCMIVQIFXBWEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122523
Fc1cccc(c1C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2)F	EMOLS-id_100174304	396.412	JLOTUCXZIBFCOK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122524
Fc1ccc(c(c1)F)C(=O)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100199391	396.412	KBDVIVCSDXQXQK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122525
Fc1ccc(c(c1)F)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2n(n1)CCC2	EMOLS-id_101188774	396.412	JQYSZKUYEHRIQG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122526
Fc1ccc(c(c1)F)S(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_110452596	396.412	RHDMQWLWVLGXBR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122527
S1Cc2c(nn(c2NC(=O)c2cc(F)c(F)cc2)CC(=O)NCCOC)C1	PC-id_44052946	396.412	FLZRFITUAVPNAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122528
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2F)CC(=O)NCCOC)C1	PC-id_44053002	396.412	BQGRIWQZEOAESF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122529
COC(=O)c1coc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)c1	MCULE-6839502564,EMOLS-id_320342084,ZINC22_187313621,PC-id_145894454	396.416	VPCJZBRGVJIXBW-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-122530
COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)[N-]NC(=O)c1sc2c(c1)CCC2	GD-id_ZINC23392474	396.418	XZDJWISSBVGOGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122531
COCCn1c2c(CN(C2)C(=O)Nc2c(ccc(n2)c2ccccc2F)N)cn1	PC-id_137495670,SCHEMBL20738655	396.418	BOVLQGIYXGPCCO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-122532
COCCn1cc2CN(Cc2n1)C(=O)Nc1c(ccc(n1)c1ccccc1F)N	PC-id_137495461,SCHEMBL20738411	396.418	XLYHHGTWYBVCFI-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-122533
COCCn1cc2CN(Cc2n1)C(=O)Nc1c(ccc(n1)c1ccc(cc1)F)N	SCHEMBL20392571,PC-id_135234289	396.418	DZVYNQJFAURMFB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-122534
s1c2CCCc2cc1C(=NNS(=O)(=O)c1c([N+](=O)[O-])cc(OC)cc1)[O-]	PC-id_31067568	396.418	MWWYOZQBFNGORC-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-122535
S(c1nn2C(CC(=O)Nc3ccc(F)cc3)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_75667771	396.418	YTLAFMCNAQCFHV-UHFFFAOYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-122536
S(c1nn2[C@H](CC(=O)Nc3ccc(F)cc3)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_51526225	396.418	YTLAFMCNAQCFHV-OAHLLOKOSA-M	00000011100000110001000010000000000000000000000000000000	25-01-122537
S(c1nn2[C@@H](CC(=O)Nc3ccc(F)cc3)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_51526226	396.418	YTLAFMCNAQCFHV-HNNXBMFYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-122538
c1(NC(=O)COc2cccnc2NC(=O)OCC#C)sc2c(CCC2)c1C#N	MCULE-7232778513,EMOLS-id_321794599	396.42	DOXXWTGAIYGAHB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122539
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1C(=O)c1ccccc1)CCC2	MCULE-7893670150,PC-id_145886077,EMOLS-id_320309990,ZINC22_178912197	396.42	NZUXDTHEXLHYTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122540
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc2c(s1)CCC2	MCULE-2545618933,EMOLS-id_44512715,ZINC22_15961624,PC-id_71904704	396.427	CADUIEJWPSBOEK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122541
O=C(Nc1nc2c(s1)CCC2)C1(c2cccc(C(F)(F)F)c2)CCOCC1	MCULE-2195143618,PC-id_75416909,ZINC22_64853540,EMOLS-id_48778696	396.427	NYHGCPUCGBTXKD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122542
s1c2CCCc2cc1C(=O)N(CCC)CC(=O)Nc1c(F)c(F)c(F)cc1	PC-id_37151871	396.427	GVOSUIIJFKOGSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122543
COc1ccc(cc1)NC(=O)c1cc2c(s1)CCN2C(=O)c1ccc(cc1)F	PC-id_97442335	396.435	JKBXQAACGSRMBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122544
COCCNC(=O)c1cc2C[C@@H](Cn2n1)NS(=O)(=O)c1ccc(C)c(F)c1	EMOLS-id_316335411,MCULE-1550893729	396.436	SBOMBAGFFMCTQV-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122545
S(=O)(=O)(c1ccc(c(F)c1)C)NC1Cc2n(nc(C(=O)NCCOC)c2)C1	MCULE-4234285131	396.436	SBOMBAGFFMCTQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122546
c12c(CCC1C(=O)NCc1ccccn1)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947223,EMOLS-id_12346507,MCULE-1059415973	396.438	QJVHRPSJKZLXSZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122547
c12c(CCC1C(=O)NCc1cccnc1)sc(NC(=O)c1ccc(cc1)F)n2	MCULE-1490219020,PC-id_16947222,EMOLS-id_12346505	396.438	NIQQOKYZKIXHIA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122548
c12c(CCC1C(=O)NCc1ccncc1)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947307,MCULE-9751971130,EMOLS-id_12346675	396.438	IYAOKNDAPRJEOO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122549
c12C(=O)N(Cc1sc(N(C)C(=O)Nc1ccc(cc1)F)n2)Cc1ccccc1	MCULE-6667984257,EMOLS-id_33030370,PC-id_53188453	396.438	SDVJIGPJSSGIHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122550
c1(sc2c(CCC2)c1C(=O)OCC)NS(=O)(=O)c1cccc(c1)N(=O)=O	PC-id_19203743,ZINC22_40945754,MCULE-7043595164	396.438	DIUYWNITRZICBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122551
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCC2	ZINC22_40945579,MCULE-9397171739,PC-id_19203653	396.438	UPNGIXXZZPSUMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122552
CCOC(=O)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	ZINC22_59498284	396.438	WXZJPEANUIUWCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122553
CCOC(=O)n1nc2c(c1NC(=O)COC)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015660,SCHEMBL12879079	396.438	AJJHEHUPCBIONQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122554
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)OCC	SCHEMBL3331339,PC-id_59333987	396.438	LMRODTKDWSTUHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122555
CN(C(=O)Nc1ccccc1F)c1nc2C(=O)N(Cc3ccccc3)Cc2s1	PC-id_53188452,MCULE-2500697182,EMOLS-id_33030368	396.438	CFMQCDKHVGGKHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122556
Fc1ccc(cc1)C(=O)N1CCc2c1cc(s2)C(=O)NCc1cnc(cn1)C	PC-id_97524490	396.438	IMLCKGVOYHLYFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122557
O=C(Nc1ccccc1C)Nc1sc2c(n1)C(=O)N(C2)Cc1ccc(cc1)F	EMOLS-id_33030422,MCULE-6682040207,PC-id_53188479	396.438	PVJQZBMCFFPMDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122558
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccccn1)c1ccc(F)cc1	PC-id_40894741,ZINC22_8979697,CoCoCo_5124755	396.438	QJVHRPSJKZLXSZ-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122559
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccccn1)c1ccc(F)cc1	ZINC22_8979696,PC-id_40894740,CoCoCo_5124754	396.438	QJVHRPSJKZLXSZ-OAHLLOKOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122560
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1cccnc1)c1ccc(F)cc1	PC-id_40894738,CoCoCo_5124753,ZINC22_8979694	396.438	NIQQOKYZKIXHIA-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122561
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1cccnc1)c1ccc(F)cc1	ZINC22_8979693,PC-id_40894737,CoCoCo_5124752	396.438	NIQQOKYZKIXHIA-OAHLLOKOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122562
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccncc1)c1ccc(F)cc1	PC-id_40894749,ZINC22_8979705,CoCoCo_5124795	396.438	IYAOKNDAPRJEOO-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122563
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccncc1)c1ccc(F)cc1	PC-id_40894750,ZINC22_8979706,CoCoCo_5124794	396.438	IYAOKNDAPRJEOO-OAHLLOKOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122564
N#Cc1c(=C)n2c(c1C(=O)OC1CCCCC1)nc(n2)C(=O)OC1CCCCC1	SCHEMBL12242280,PC-id_68223035	396.44	WVTLLGOPUFLADX-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-122565
O=C(n1nc(NC(=O)c2ccccc2)c2c1CN(C2)C(=O)OC(C)(C)C)C1CC1	PC-id_71476946	396.44	LJQXYDYPCCCNQQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-122566
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C1CC1)c1ccccc1	PC-id_141257321	396.44	YBZOYLZDBVBKKL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-122567
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324922881	396.443	VBZOUQPKNXBFEB-UZCZQPMLSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122568
CNC([C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)c1ccc(cc1)C#N	PC-id_69481235,SCHEMBL5541783	396.443	SOSSNKICUJNBKB-IJHRGXPZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122569
CNC(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)c1ccc(cc1)C#N	PC-id_69481239,SCHEMBL5541798	396.443	SOSSNKICUJNBKB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122570
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)C=Cc1ccc(cc1)C	MCULE-2480314219	396.443	VBZOUQPKNXBFEB-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122571
N#Cc1ccc(cc1)N1CCC(CC1)N(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL5541795,PC-id_69481238	396.443	PKIZLKMOAKBSRA-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122572
CCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)I	PC-id_115864397	397.317	NKGSMPLBGPLYGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122848
O1C(CN(C2CCN(CC2)c2ccc(cc2)C#N)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_77659675	396.443	PKIZLKMOAKBSRA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122573
C1CC1C(=O)NCc1nnc2n1C(CC2)C(=O)N1CCN(CC1)c1ncccn1	PC-id_134788710	396.446	SWZJLYAKVRJRBG-UHFFFAOYSA-N	00100010100010100001100010000000000000000000000000000000	25-01-122574
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1)n(nc2CN1CCCCC1)C	PC-id_97410145	396.455	MECYJDCEUAJVKQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122575
COC(=O)c1sc2c(c1NC(=O)[C@@H]1CCCO1)CN(C2)C(=O)OC(C)(C)C	EMOLS-id_257949090,MCULE-4154198138	396.458	BRTXOLWXWZGKDM-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-122576
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1OCC	MCULE-5583687282,CoCoCo_1731266,ZINC22_1214461,PC-id_1368507,EMOLS-id_2387020	396.459	MOSLYWDPYMZWHO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122577
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)OCC	MCULE-6973450630,CoCoCo_81809,ChEMBL-DNDi_CHEMBL3367-1139,PC-id_1350906,BAS-00486955,ZINC22_1188891,EMOLS-id_1231083	396.459	KZRHIIXLKDBPSH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122578
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_346994,MCULE-3260141760,ZINC22_702658,EMOLS-id_1478521,TIMTEC318693,BAS-06261200,PC-id_1033266	396.459	MTDZVVFYXRPDSP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122579
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337700,MCULE-1643247855	396.459	JVQDOAGDVZYPIZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122580
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336677,MCULE-2206678297	396.459	OWOPKPWMPMIMMM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122581
c1(NC(=O)c2cc(on2)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2254634,EMOLS-id_10106813,PC-id_17013472,TIMTEC386078,MCULE-8548233358,ZINC22_27664270	396.459	PQIYHFBABBUXSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122582
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCC2)c1C(=O)OCC	TIMTEC173831,EMOLS-id_4074767,CoCoCo_6785945,PC-id_4549452,ZINC22_2745304,MCULE-1749574728	396.459	GNQOEKKYIFWHAW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122583
c1(NC(=O)C(=Cc2ccc(cc2)OCC)C#N)sc2c(CCC2)c1C(=O)OC	MCULE-9404139835,PC-id_5046116	396.459	FNLHRLCNBVYOTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122584
c1(NC(=O)C(=Cc2ccc(cc2)OC)C#N)sc2c(CCC2)c1C(=O)OCC	MCULE-7823268613,PC-id_1182547	396.459	MINALNVCFAUODF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122585
c1(NC(=O)C(=Cc2ccccc2OC)C#N)sc2c(CCC2)c1C(=O)OCC	PC-id_1656678,MCULE-8621224530	396.459	XIJCUVSAFOSSPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122586
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3508657576,ZINC22_27663156,CoCoCo_6329983,PC-id_17012701,TIMTEC115866,EMOLS-id_10105482	396.459	DAYOZANHVGYTIR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122587
CCOC(=O)c1c(NC(=O)/C(=Cc2ccc(cc2)OC)/C#N)sc2c1CCC2	EMOLS-id_26279699,STOCK2S-58632,CoCoCo_1744415	396.459	MINALNVCFAUODF-KAMYIIQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122588
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)/C#N)sc2CCCc12	PC-id_1182548,EMOLS-id_26501207,ChemDIV3453-1722,CoCoCo_1744414	396.459	MINALNVCFAUODF-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122589
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)S(=O)(=O)O	MCULE-4397383758,EMOLS-id_328217457	396.459	WQQRLYVIPNYWNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122590
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(c1)S(=O)(=O)O	MCULE-6607733727,EMOLS-id_328217713	396.459	IKMRHURUPFPCTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122591
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1S(=O)(=O)O	MCULE-8588566322,EMOLS-id_328217977	396.459	KZCNWOARAPXJNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122592
N#CCC(N1C(=O)c2c(C1=O)csc2)c1ccc(c(c1)OC1CCCC1)OC	PC-id_68466736,SCHEMBL2985342	396.459	FGYWREQSAGMDTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122593
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCC)cc1)/C#N)C(=O)OC	PC-id_1684223	396.459	FNLHRLCNBVYOTL-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122594
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1c(OC)cccc1)/C#N)C(=O)OCC	PC-id_1656679	396.459	XIJCUVSAFOSSPL-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122595
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(OCC)cc1)C#N	PC-id_78674011	396.459	FALWBKNSACBUBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122596
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC)cc1)C#N	PC-id_8356571	396.459	FALWBKNSACBUBV-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122597
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OCC)cccc1)C#N	PC-id_7850623	396.459	JIKUOQUKUVPUFO-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122598
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1c(OCC)cccc1)C#N	PC-id_78553756	396.459	JIKUOQUKUVPUFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122599
c1(C(=O)/N=c/2sc(c(C(=O)OC)[nH]2)CCc2ccccc2)c2CCCc2[nH]n1	STOCK7S-43295,EMOLS-id_48568326,ZINC22_95480708,EMOLS-id_49410252,MCULE-8449090247,PC-id_71710085	396.463	YCHYRBAYJDEKCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122600
c1(NC(=O)c2ccccc2C)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862614,CoCoCo_5277714,ZINC22_23139352,MCULE-2646468496,EMOLS-id_24913451	396.463	UUZLFZRTRIOFLN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122601
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCCCC2)sc2c(CCC2)c1C#N	ZINC22_4687304,MCULE-5738897394,PC-id_2963837,CoCoCo_518114,EMOLS-id_2251301	396.463	SLNXFCLDGBGPEE-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-122602
c1(NC(=O)c2ccco2)c2CSCc2nn1CC(=O)NCCc1ccccc1	PC-id_30862886,MCULE-6867984098,EMOLS-id_24913643,ZINC22_23139670,CoCoCo_5277825	396.463	OMOSAACWCMJRGW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122603
c1(NC(=O)COc2cccnc2NC(=O)C2CCC2)sc2c(CCC2)c1C#N	MCULE-3244447529,EMOLS-id_321805695	396.463	PUFQZIYWSAIPPJ-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-122604
c1(NC(=O)COc2cccnc2NC(=O)/C=C(C)/C)sc2c(CCC2)c1C#N	EMOLS-id_321809520,MCULE-9130404178	396.463	BHSXPXMFDODMHJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122605
Cc1ccc(cc1)C(=O)Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C	PC-id_68442684,SCHEMBL2924101	396.463	JMSKNQPTJPZODF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122606
Cc1cccc(c1)C(=O)Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C	SCHEMBL2925329,PC-id_68443193	396.463	QMRBVDOYBPVNPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122607
Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68443195,SCHEMBL2925332	396.463	BRUGKHFQWIGRRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122608
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2924102,PC-id_68442685	396.463	QCMAXJUZYGRRTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122609
Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68441052,SCHEMBL2919755	396.463	AZGOTYMOSINJBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122610
Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2920035,PC-id_68441155	396.463	ALGLUXCYUYNFFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122611
Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251705	396.463	FZLAPXJQYXARPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122612
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251752	396.463	PJWWXQQNZBBDTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122613
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccccc1C	PC-id_141251774	396.463	HPMXGPIVIQEBPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122614
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)c1ccccc1C)CNC2	PC-id_68442217,SCHEMBL2922947	396.463	AXESFWSQMJFQIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122615
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cc(nn1C)c1ccccc1	PC-id_121084077	396.463	PAQTXSGHLJPGAD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122616
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1c(n(nc1)c1ccccc1)C	PC-id_90602022	396.463	LKXQIQZVWSUDNM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122617
CCOC(=O)c1cnn(c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)c1C	MCULE-5337865449,PC-id_32143227,ZINC22_24824581,EMOLS-id_31902392	396.463	IWGPIUDDZOGYGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122618
Cn1nc2c(c1NC(=O)c1ccc(NS(=O)(=O)c3ccccc3)cc1)CCC2	ZINC22_58416636,MCULE-5097125975,EMOLS-id_33361643,PC-id_47794633	396.463	LBSYQAPAAUVCGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122619
N#Cc1ccc(cc1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109647	396.463	HAVDTXXBVNGTOA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122620
O=C(c1ccccc1C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68442222,SCHEMBL2922952	396.463	ZJNHVBFZSVSUHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122621
O=C(c1ccccc1C)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68442220,SCHEMBL2922950	396.463	WHZWVJHSJNIION-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122622
O=C(c1ccc(cc1)CS(=O)(=O)c1ccccc1)NCc1nnc2n1CCC2	GD-id_ZINC45055412	396.463	JDDKYICQEWKJSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122623
O=C(c1ccc(cc1)OCc1nccn1C)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_44119853,PC-id_45898920,CoCoCo_4918770,MCULE-1930576563	396.463	OLIBAGNIHZVJBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122624
O=C(Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C)Cc1ccccc1	SCHEMBL2919383,PC-id_68440921	396.463	DFHKALBXWIJMNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122625
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)Cc1ccccc1	SCHEMBL2919389,PC-id_68440923	396.463	ZMBOCXTYEVRMDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122626
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)Cc1ccccc1	SCHEMBL2914047,PC-id_68439039	396.463	TWGOCDQQNLEMGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122627
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)Cc1ccccc1	PC-id_141047804	396.463	SQJIVBLABAZNMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122628
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)Cc1ccccc1	SCHEMBL2922847,PC-id_68442170	396.463	XSSXYNAKIFBSBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122629
s1c2CCC(c2nc1NC(=O)c1ccc(Cn2ccnc2)cc1)C(=O)OCC	PC-id_49711997	396.463	SJYACRJORDVYAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122630
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C)CC(=O)NCc2occc2)C1	PC-id_44053263	396.463	ILVXBJGOUZAERO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122631
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C)CC(=O)NCc2occc2)C1	PC-id_44053264	396.463	BPAJHPVBZUQOIC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122632
S1Cc2c(nn(c2NC(=O)Cc2ccccc2)CC(=O)NCc2occc2)C1	PC-id_44053306	396.463	IKRFHAUUKQJTJH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122633
S(=O)(=O)(N1Cc2c([nH]nc2NC(=O)Cc2ccccc2)C1)c1ccc(cc1)C	PC-id_10200778	396.463	ITZFLPMSLJKRPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122634
O=C(N1CC(C1)n1nnc(c1)COc1ccccc1)Cn1ncc2c1CSC2	PC-id_92118342	396.466	DDSABKIKUCZGNP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-122635
s1c2c(CCC2)c(c1NC(=O)CSC(c1c(F)cccc1F)C)C(=O)N	PC-id_48058256	396.475	IZKYSRFJWGCTMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122636
COc1ccc(cc1)NC(=O)c1c(NCc2cccc(c2)F)sc2c1CCC2	PC-id_4460647,CoCoCo_2720366	396.478	DKCDCMBFJQZHKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122637
COc1ccccc1NC(=O)c1c(NCc2cccc(F)c2)sc2c1CCC2	PC-id_1166848,ZINC22_920837,CoCoCo_306033	396.478	QZRNTQQSHZEEPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122638
c1cccc(c1)C(=O)c1ccc2n1CCC2C(=O)NC(C(=O)OCC)CC(C)C	CHEMBL457140,PC-id_44581858	396.479	IDFHLDRTPQHTBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122639
CCOC(=O)C(NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc12)C(C)CC	CHEMBL457141,PC-id_44581859	396.479	PQEMQMZAKUUASG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122640
O=C(N[C@@H](CC(C)C)C(=O)OCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_12012528	396.479	IDFHLDRTPQHTBX-ZVAWYAOSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122641
O=C(N[C@@H]([C@H](CC)C)C(=O)OCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_25148351	396.479	PQEMQMZAKUUASG-NUSPTKLCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122642
Cc1cc(C)c(CC(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)c(C)c1	EMOLS-id_53837446,PC-id_100611350,ZINC22_225386734,MCULE-9566158922	396.481	XWTUQNWAOLGOEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122643
Cc1ccc(C[C@@H](C)C(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)cc1	PC-id_100611310,ZINC22_225386633	396.481	SDIGPLRMWHCIOA-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122644
Cc1ccc(C[C@H](C)C(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)cc1	PC-id_100611328,ZINC22_225386674	396.481	SDIGPLRMWHCIOA-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122645
O=C(C(Cc1ccc(cc1)C)C)NS(=O)(=O)c1[nH]cc2c1CCS2(=O)=O	MCULE-6095504158,PC-id_119040693,EMOLS-id_53837444	396.481	SDIGPLRMWHCIOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122646
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1ccc(OCCOC)cc1	PC-id_33805065	396.481	WDIZCPSACPGUMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122647
s1c2c(CCC2)c(c1NC(=O)C(=O)NCCC[NH+]1CCOCC1)C(=O)OC	PC-id_8069539	396.481	QNXYEHHNKSRWKN-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-122648
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC[NH+]1CCOCC1)C(=O)OCC	PC-id_8035187	396.481	FBSYTXZDHKDJHY-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-122649
c12CN(Cc1nn(CC1CCCC1)c2C(=O)NCC)C(=O)OCc1ccccc1	MCULE-4657458931,EMOLS-id_324356451	396.483	WPCRBUCUUCRDED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122650
CC(C)(C)C1C(p2c(=O)c(c(p2C1=O)C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_91064531	396.483	YPZKVBJPBCFCAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122651
COC(=O)c1c(NC(=O)Cn2cc[n+](c2)Cc2ccccc2)sc2c1CCC2	PC-id_142769803	396.483	HAKRYBKHWQKGJW-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-122652
O(CC(c1n2nc(c(=C)c2nn1)C)(C)C)C(=O)C(Oc1c(cc(cc1)C)C)CC	PC-id_60065489	396.483	JTGZFTYKMZMJOC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122653
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(C)CCC1)CC(c1ccccc1)O	SCHEMBL19312070	396.483	LXLGJVZANZDTOU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-122654
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1ccccc1)c1occc1)C(=O)N	PC-id_78755892	396.483	DNEIZMGMABROOC-UHFFFAOYSA-O	00000010101000110000000010000000000000000000000000000000	25-01-122655
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1occc1)C(=O)Nc1ccccc1	PC-id_7280553	396.483	SGBYGHLYMULJMS-UHFFFAOYSA-O	00000010101000110000000010000000000000000000000000000000	25-01-122656
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1ccccc1)c1occc1)C(=O)N	PC-id_8696303	396.483	DNEIZMGMABROOC-IBGZPJMESA-O	00000010101000110000000010000000000000000000000000000000	25-01-122657
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1ccccc1)c1occc1)C(=O)N	PC-id_8696305	396.483	DNEIZMGMABROOC-LJQANCHMSA-O	00000010101000110000000010000000000000000000000000000000	25-01-122658
c1(NC(=O)C(=O)NCc2cccs2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_5625848,Chemmine_48764,PC-id_18586567,MCULE-1165007799,ZINC22_10250676,CoCoCo_5190624	396.484	VNENEMANBLAANL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-122659
O=S1(=O)CCN(CC1)c1cccc(c1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100969117	396.484	QIEQGMVVBQUVMA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122660
O=S(=O)(c1ccccc1)N1CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100203066	396.484	ZKDRLWPTYYXEEZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122661
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(=O)[nH]n1)C(=O)OC	PC-id_7455484	396.484	XPURUIITEDLKHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122662
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCOC)cnn1)C(=O)OC	PC-id_29933375	396.484	NJWVXXPAWMBPGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122663
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CN3CCCCCC3)Cc12	MCULE-5913289705,EMOLS-id_316321085	396.486	RBPGXGLSBXKINO-KRWDZBQOSA-N	00000010100000101101000010000000000000000000000000000000	25-01-122664
c1(NC(=O)COc2ccc(cc2N)c2cscn2)sc2c(CCC2)c1C#N	MCULE-5252806497,EMOLS-id_323573298	396.486	RHQHUFMJQWBVJK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122665
c1(NC(=O)CSc2nnc(c3cccc(C)c3)o2)sc2c(CCC2)c1C#N	PC-id_7826258,MCULE-2775058390	396.486	JZQLVEUDGFDKRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122666
O=C(N1CCC(CC1)C)c1cc(c(NC(=O)NCc2n3CCCc3nn2)cc1)C	PC-id_60489162	396.486	PIAOZHQXQPMOPN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122667
O=C(NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1)CN1CCCCCC1	MCULE-6319884230	396.486	RBPGXGLSBXKINO-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-122668
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)CCN1CCCCC1	PC-id_68442139,SCHEMBL2922781	396.486	NRMHYWXPVFEYRG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122669
Cc1ccccc1n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_7646525,CoCoCo_2859240,ZINC22_5352236,EMOLS-id_11721757,MCULE-2939476617	396.489	DQFBHWKJAHYOBC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122670
CSc1ccc(c2nnn(CC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1	MCULE-5366709085,EMOLS-id_6818640,ZINC22_4718123,PC-id_5296510	396.489	IRHAYLWKTSSRTQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122671
n1(N)c(SCC(=O)Nc2sc3c(CCC3)c2C#N)nnc1c1ccccc1	MCULE-9835262752,EMOLS-id_335760042	396.489	ZOHIMYXOFZDJAT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122672
N#Cc1c(NC(=O)CSc2nnnn2Cc2ccccc2)sc2c1CCC2	EMOLS-id_3687940,MCULE-4494418914,ZINC22_8325510,PC-id_9450949,CoCoCo_4309978	396.489	NRVVOCDGOSIHLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122673
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccncc1)C)C#N	PC-id_7895017	396.489	BIBYTJPONWBABR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-122674
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)c1ccc(cc1)C)C#N	PC-id_9407698	396.489	FTQPQOCEJQOLDS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122675
CCOC(=O)c1c(NC(=O)CCCNC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_327892309,MCULE-1245290494	396.501	NGTYABXJTQYPMK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122676
s1c2c(CCC2)c(c1NC(=O)CN(CC(C)C(=O)OC)CC)C(=O)OCC	PC-id_56408757	396.501	YTPFROXISDRLOC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122677
c1(c2CCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccccc1OCC	ChEMBL-DNDi_CHEMBL7591293,EMOLS-id_1476191,MCULE-8681150893,PC-id_1082685,CoCoCo_345102,BAS-06100845,ZINC22_798216	396.503	ZITJCTAVCYXWHB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122678
c1(c2CCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccc(cc1)OCC	CoCoCo_2720378,EMOLS-id_16406112,MCULE-3466359142,PC-id_4689870	396.503	YYLXOODGQXMDHP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122679
c1(NC(=O)C2(CCCCC2)Oc2ccccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_322840496,MCULE-2328995416	396.503	WAAYYGPALVXZOB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-122680
c1(NC(=O)C2(CCCCC2)Oc2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322840752,MCULE-1777804628	396.503	FXAMSCDXPSHWGK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-122681
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_2937382,MCULE-2116139394,EMOLS-id_300214224	396.503	VQVBYSJVROBOTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122682
COCCC1(C)C(NC(=O)CC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9654063,PC-id_21735865	396.503	OCFSSIPWQDYCGV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122683
O=C(C1CCCN(C1)C(=O)C)Nc1sc2c(c1C(=O)c1ccccc1)CCC2	EMOLS-id_98099142	396.503	KPZYYCOTRSAAAJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-122684
O=C(/C=C/c1ccccc1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	CoCoCo_920665,PC-id_1301455,ZINC22_1125369	396.503	VQVBYSJVROBOTP-LPQFERQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122685
O=C(/C=C/c1ccccc1)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	ZINC22_1125374,PC-id_1301458,CoCoCo_920662	396.503	VQVBYSJVROBOTP-PCUGXKRQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122686
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)/C=Cc1ccccc1	CoCoCo_920663	396.503	VQVBYSJVROBOTP-JNSOCZORSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122687
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)/C=Cc1ccccc1	CoCoCo_920664	396.503	VQVBYSJVROBOTP-YUQCYMQKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122688
O=C(Nc1sc2CCCc2c1C(=O)NCC1CCCO1)/C=C/c1ccccc1	EMOLS-id_25955603,PC-id_5737610,TIMTEC508342	396.503	VQVBYSJVROBOTP-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122689
s1c2CCCc2c(c1NC(=O)COC(=O)C(C(CC)C)c1ccccc1)C#N	PC-id_24340392	396.503	JMVRWHKJURAQLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122690
c1(NC(=O)C(=O)NC2CCCCCC2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_5190610,EMOLS-id_5625822,PC-id_18586554,ZINC22_10250644,MCULE-9400996002	396.504	OHTAYCKYVXMLGT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-122691
c1(NC(=S)Nc2ccsc2C(=O)OC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2003855,MCULE-9687261246,PC-id_2210469,TIMTEC532545,Chemmine_18987,CoCoCo_999271,ZINC22_2857195,ChEMBL-DNDi_CHEMBL7819946	396.504	WRTYWFXWNJOYOI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-122692
CCCCn1c(C)c2c(c1C)C(=O)N(CN1CCN(S(=O)(=O)C)CC1)C2=O	CHEMBL4460882	396.504	VBFXZBVYDFLNPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122693
O=C(C1CCC(CC1)NC(=O)C(C)(C)C)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110495717	396.504	GQMIPGUDUJEJRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122694
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)NCCCOC)C)C)C(=O)N	PC-id_51261319	396.504	XZXKGPJKGVVEGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122695
C1c2c(CN1CCc1ccccc1)[nH]nc2NC(=O)CCOCc1cccs1	PC-id_91455513	396.506	MJJJAWFBHMYMDI-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-122696
Cc1nc2c(s1)CN(C2)C(=O)Cn1c(cc(n1)c1ccc(cc1)OC)C(C)C	SCHEMBL15001986,PC-id_89607903	396.506	OEOQWGLLETXXMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122697
CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_9304282,EMOLS-id_24955671,CoCoCo_3591211,CoCoCo_3591210,MCULE-5502363113,ZINC22_8171259	396.506	WSAVRKFAZWITRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122698
CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1cnn2c1CCC2	ZINC22_606445968,EMOLS-id_177346078,MCULE-3524445361	396.506	ONIZWXJWVRRQFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122699
COc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1	MCULE-2120527538,CoCoCo_3564226,CoCoCo_3564227,PC-id_4310158,ZINC22_34718467,EMOLS-id_3451937	396.506	MRALWSUSWVKVPF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122700
COc1ccc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1	ZINC22_34864620,CoCoCo_2855603,CoCoCo_2855604,PC-id_2655448,EMOLS-id_3434315,MCULE-6415653653	396.506	GHANFASDPYFHQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122701
N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(c1C(=O)OC)CCC2)CC	PC-id_102065700	396.506	SXPGCLNNFQFTOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122702
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1noc(c1)c1cccs1	PC-id_92109965	396.506	XVAVFTSENWRYIY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-122703
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1ccc(O)cc1)C#N	PC-id_30099951	396.506	SSIZVWLJQRLIGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122704
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1c(O)cccc1)C#N	PC-id_24588670	396.506	QGVOSCZEDNIGML-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122705
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1ccc(cc1)C)C)C#N	PC-id_37650637	396.506	JKPSGQZJUZSKMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122706
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C#N	PC-id_2698442	396.506	GZFZAJTZAVWHSV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122707
s1c2CCCc2c(c1NC(=O)CN(CC(=O)Nc1c(cccc1C)C)C)C#N	PC-id_2699981	396.506	PTZZVRBXIIPCEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122708
s1c2CCCc2c(c1NC(=O)CN(CC(=O)Nc1c(c(ccc1)C)C)C)C#N	PC-id_9288143	396.506	DKVGEPMPAOFESF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122709
Cc1noc(C)c1c1ccc(s1)S(=O)(=O)NCc1cn2CCSc2n1	EMOLS-id_316244248,ZINC22_1506400113,MCULE-9567565924	396.508	TWZWVNYBDIVDNV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-122710
O=C(N1CCCC(C1)S(=O)(=O)NC1CCCC1)NCc1nnc2n1CCC2	EMOLS-id_99225856	396.508	NRZWQVWFJDIIOE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122711
c1(C(=O)Nn2c(C)nnc2SCc2cc(C)cc(C)c2)c2CCCc2n(C)n1	EMOLS-id_320480266,MCULE-5592208558,PC-id_84467187	396.509	PHIHOVPDAPQKFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122712
CC(C)c1ccc(n2cnnc2SCC(=O)NCc2cnc3n2CCC3)cc1	ZINC22_1638057939	396.509	COCGYQAOMOVPPM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122713
C[C@H](N)c1nc(c2ccccc2)nn1CC(=O)NCCc1nc2c(s1)CCC2	ZINC22_1857685223,MCULE-5317747364,EMOLS-id_323967300,PC-id_145931651	396.509	DVAAZYOZRDUVLW-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122714
CC(N1CCN(CC1)c1ccc(cc1)C(=O)Nc1nc2n(c1C#N)CCS2)C	EMOLS-id_99351205,PC-id_60324267	396.509	SAYSXZCVCCPPEL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122715
N#Cc1c(NC(=O)CCN2CCCC(C2)c2ccnc(n2)N)sc2c1CCC2	EMOLS-id_101741740	396.509	AAQABYXUVUNWKJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-122716
N#Cc1c(NC(=O)C(N2CCCC(C2)c2ccnc(n2)N)C)sc2c1CCC2	EMOLS-id_97915335	396.509	GYQBNAQRDWIUDQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-122717
O=C(Nc1n(C)nc2c1CCC2)CSc1nnc(n1c1cc(C)ccc1C)C	EMOLS-id_98805581	396.509	YAUBDLVQQIOXLP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122718
c1(NC(=O)CS(=O)C(CC)C(=O)OCC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320679274,MCULE-1240627655	396.524	XFGBLRZZXKFTCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122719
c1(NC(=O)CS(=O)C(C)C(=O)OCCC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320678762,MCULE-3578961574	396.524	DOQPIHDWCDSIAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122720
c1(NC(=O)CS(=O)CC(=O)OCCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320677995,MCULE-6151543470	396.524	QGVUHOPWUKIZBQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122721
CCCc1cc(nn1CC(=C)N1Cc2c(C1)nc(s2)C)c1ccc(c(c1)C)F	PC-id_145588089	396.524	CBWUUKWYNKHTIG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122722
COC(=O)c1c2/C(=N/C(C)(C)C)/S/C(=NC(C)(C)C)/c2sc1C(=O)OC	CoCoCo_5785691,NSC717072	396.524	DTDBLPNPRSPFBC-AXPXABNXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122723
COC(=O)c1c2/C(=NC(C)(C)C)/S/C(=N/C(C)(C)C)/c2sc1C(=O)OC	CoCoCo_5785692	396.524	DTDBLPNPRSPFBC-IWGRKNQJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122724
COC(=O)c1c2/C(=NC(C)(C)C)/S/C(=NC(C)(C)C)/c2sc1C(=O)OC	CoCoCo_5785693	396.524	DTDBLPNPRSPFBC-JXTQQTEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122725
COC(=O)c1c2/C(=N/C(C)(C)C)/S/C(=N/C(C)(C)C)/c2sc1C(=O)OC	CoCoCo_5785694	396.524	DTDBLPNPRSPFBC-LRVMPXQBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122726
O=C(C1CCN(CC1)S(=O)(=O)C)Nc1sc2c(c1C(=O)C1CC1)CCC2	EMOLS-id_101168466	396.524	NYJPGNUYUJMRIK-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-122727
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)CC)C(=O)OC	PC-id_27202430	396.524	KKABXVPCARAFEJ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-122728
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N(CC)CC)C)C(=O)OCC	PC-id_8692396	396.524	FADLLLDBNIAZRO-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-122729
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)C)C(=O)OCC	PC-id_8766874	396.524	REUMSDIRUZDMNI-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-122730
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)CC)C(=O)OCC	PC-id_8907361	396.524	WDQOTLNBYTWFHJ-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-122731
S1C(=NC(C)(C)C)c2c(sc(c2C(=O)OC)C(=O)OC)/C/1=N/C(C)(C)C	PC-id_402821	396.524	DTDBLPNPRSPFBC-YERZVVDKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122732
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1CC	EMOLS-id_2386899,ZINC22_1214108,PC-id_1368251,MCULE-2633023205,CoCoCo_735679,CK1183118	396.526	BIVPVLZOGZCSAR-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-122733
c1(C(=O)N(C)CC2CCN(CC2)CCc2ccc(cc2)OC)c2CCCc2[nH]n1	PC-id_45929734,MCULE-6906884151,ZINC22_11936511,EMOLS-id_29555522	396.526	USTRWTTZEAPNCX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122734
c1(NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4050638921,EMOLS-id_334328235	396.526	AOUKQHPDXRYLLX-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-122735
CCc1sc(c2ccccc2C(=O)C)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1821924,PC-id_56682200	396.526	RNWDMMNMATUJES-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-122736
COc1ccc(cc1)CCNC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109989	396.526	KOCPZOKRUHBAEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122737
s1c2CCCc2cc1C(=O)N(CC(=O)NCc1sccc1)c1ccccc1	PC-id_3501498	396.526	LLDKGPLTLVJVFC-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-122738
s1c2c(CCC2)c(c1NC(=O)CC[NH+](C1CC1)Cc1ccc(OC)cc1)C#N	PC-id_52546582	396.526	ZVXPMLPVDTXHGG-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-122739
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCC(=CC1)c1ccccc1)C)C(=O)N	PC-id_9495208	396.526	DCQYAPSSKITCJB-AWEZNQCLSA-O	00000010100011110000100010000000000000000000000000000000	25-01-122740
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCC(=CC1)c1ccccc1)C)C(=O)N	PC-id_9495210	396.526	DCQYAPSSKITCJB-CQSZACIVSA-O	00000010100011110000100010000000000000000000000000000000	25-01-122741
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCC(=CC1)c1ccccc1)C)C(=O)N	PC-id_85026010	396.526	DCQYAPSSKITCJB-UHFFFAOYSA-O	00000010100011110000100010000000000000000000000000000000	25-01-122742
CS(=O)(=O)NC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	CoCoCo_4468281,EMOLS-id_17221158,PC-id_32235504,MCULE-1544744617,CoCoCo_4468282,ZINC22_24926819	396.527	UTBSIPBLAGZXBR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-122743
N#Cc1c(NC(=O)C(N2CCCN(CC2)S(=O)(=O)C)C)sc2c1CCC2	EMOLS-id_110707651	396.527	NDEXDGHBBQDLQT-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-122744
N#Cc1c(NC(=O)C(N2CCN([C@H](C2)C)S(=O)(=O)C)C)sc2c1CCC2	EMOLS-id_110837574	396.527	PYXUWLKXGYRCOY-PXYINDEMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122745
s1c2c(CCC2)c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C(=O)N	PC-id_78258432	396.527	ZXIQVINHJSLGLC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122746
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)NCCC[NH+]1CCOCC1	PC-id_7685497	396.527	UCNTXMCNQFXLNG-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-122747
c1(NC(=O)CSc2nc(C)c(c(C)c2C#N)CC)sc2c(CCC2)c1C#N	ZINC22_663288,STOCK3S-14360,MCULE-2080696656,PC-id_1005134,EMOLS-id_3750248,CoCoCo_6930066,SPECS-id_AM-807/14147262	396.529	AOBHIOUXXZKVHJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122748
CCN(CC)c1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324831996	396.529	ONTJQLMWNSXCDS-ATVHPVEESA-N	00000000100100110001000010000000000000000000000000000000	25-01-122749
CCNC(=NCc1ccc(cc1OC1CCCC1)C)NCc1nnc2n1CCC2	PC-id_109609030	396.529	BTTYEYVYKURTKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122750
CCNC(=NCc1nnc2n1CCC2)NCC1CCCOC1c1ccc(cc1)C	PC-id_111619482	396.529	IXDYCUJNPFXHIV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122751
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)Cc1cccs1	MCULE-4348095849	396.529	ONTJQLMWNSXCDS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122752
O=C(NC1CCN(CC1)Cc1ccccc1)NC(c1n2CCCc2nn1)C(C)C	PC-id_60273682	396.529	BAKKBMIVRNYGKA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122753
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(CC)(C)C)CNC2(C)C	SCHEMBL19312177	396.547	NPUWZJAPNXBQNY-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-122754
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19537141	396.547	XJTHHBYTQKHSIX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-122755
S(=O)(=O)(NC1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1sccc1	PC-id_37400549	396.547	CIRCJMSXMVWCFH-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-122756
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCCCCC)C(=O)OCC	PC-id_4958901	396.567	RCRSSVLKHDBZEC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122757
s1c2CCCc2c(c1NC(=O)CSc1sc(SCCC)nn1)C#N	PC-id_8493030	396.574	MLPMOFSSBUOFCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122758
s1c2c(CCC2)c(c1NC(=S)NCCCCCCCCCC)C(=O)OC	PC-id_19651243	396.61	QRPYSVBEQXVLNY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122759
s1c2c(CCC2)c(c1NC(=S)N(CCCCC)CCCCC)C(=O)OC	PC-id_19653343	396.61	BSJLBRVQHWMIDH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122760
Brc1cc(c(NC2CCc3sc(Cl)cc23)cc1)C(F)(F)F	PC-id_81234124	396.653	GOMFPYVJYKKEAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122761
Brc1c(cc(NC2CCc3sc(Cl)cc23)cc1)C(F)(F)F	PC-id_81234498	396.653	BDESHLOTMFCUEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122762
Brc1cc(NC2CCc3sc(Cl)cc23)cc(c1)C(F)(F)F	PC-id_81246650	396.653	GLDAOVZCARXDRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122763
Clc1sc2c(c1)C(CC2)Nc1cc(ccc1Br)C(F)(F)F	PC-id_108126729	396.653	QGSXFYCKKHCORH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122764
C=CCOc1c(cccc1C(C)(C)C)[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	SCHEMBL2922281,PC-id_21880914	396.661	OPXRQPNUVKLBHX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-122765
CC(C)(C)OC(=O)N1Cc2sc(C(=O)OCCl)c(Br)c2C1	EMOLS-id_189875163,MCULE-4219162901	396.684	NCZYKWOVHSWXJE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122766
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc(F)c(F)c1	PC-id_8753013	396.796	WHFUXYSOUAMRSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122767
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)Cl)Nc1nc(C)ncc1F	PC-id_59333953,SCHEMBL3326790	396.804	OTIJECJPHXSTQT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-122768
Clc1cc(F)c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_8629716	396.82	GYVLTKLLCZLHCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122769
NC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2Cl)sc2c1CCC2	EMOLS-id_3457887,ZINC22_6224549,PC-id_4045259,MCULE-4562322237,CoCoCo_2968994	396.82	DPGORAONILXMJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122770
NC(=O)c1c(NC(=O)COC(=O)c2c(F)cccc2Cl)sc2c1CCC2	MCULE-6236799923,ZINC22_5872213,EMOLS-id_3460949,CoCoCo_3040059,PC-id_4693964	396.82	ZJSIDPIWEDQDFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122771
c1(c2CCCc2sc1NC(=O)c1cc(F)c(cc1Cl)F)C(=O)NC1CC1	MCULE-3044874438,CoCoCo_540774,EMOLS-id_2265561,ZINC22_1053605,PC-id_1245231,TIMTEC224559	396.839	ISHOAECGJXJUGH-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-122772
CCC(OC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(Cl)ncc1F)(C)C	PC-id_59333975,SCHEMBL7015557	396.847	IWQLWXXFCXNKQS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-122773
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_5442909,MCULE-2340279372,PC-id_2160420	396.849	YVCAKWPGWNXJIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122774
CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[S@@](=O)C2	CoCoCo_4985472,ZINC22_2725053,PC-id_11877763	396.849	YVCAKWPGWNXJIO-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122775
CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[S@](=O)C2	ZINC22_4106205,CoCoCo_4985471,PC-id_11863914	396.849	YVCAKWPGWNXJIO-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-122776
CCOC(=O)n1nc2c(c1NC(=O)c1cccs1)CN(C2(C)C)C(=O)Cl	PC-id_58015670,SCHEMBL1205788	396.849	LPEFZUUUTMPURA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-122777
Clc1c(C(=O)Nc2n(nc3c2C[S@@](=O)C3)C(C)(C)C)cc([N+](=O)[O-])cc1	PC-id_11883756	396.849	MJGBTHCQCXIZHK-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122778
Clc1c(C(=O)Nc2n(nc3c2C[S@](=O)C3)C(C)(C)C)cc([N+](=O)[O-])cc1	PC-id_11883757	396.849	MJGBTHCQCXIZHK-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-122779
Clc1c(C(=O)Nc2n(nc3c2CS(=O)C3)C(C)(C)C)cc([N+](=O)[O-])cc1	PC-id_4072479	396.849	MJGBTHCQCXIZHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122780
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2C[S@@](=O)C3)C(C)(C)C)cc1	PC-id_11883758	396.849	LJKOBHNTCXZPLG-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122781
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2C[S@](=O)C3)C(C)(C)C)cc1	PC-id_11883759	396.849	LJKOBHNTCXZPLG-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-122782
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CS(=O)C3)C(C)(C)C)cc1	PC-id_5020264	396.849	LJKOBHNTCXZPLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122783
Clc1n(nc(c1C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C	PC-id_26060840	396.849	LOILAVGJFIZVDB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122784
c1(NC(=O)c2cc(=O)[nH]c(c3ccc(cc3)Cl)n2)sc2c(CCC2)c1C#N	MCULE-9779987701,EMOLS-id_322838705	396.85	QXNNDNDZVATSIN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122785
c1(NC(=O)c2cnc([nH]c2=O)c2ccc(Cl)cc2)sc2c(CCC2)c1C#N	MCULE-8133819518,EMOLS-id_182609756,PC-id_108799356	396.85	URFZQJCNDIBAPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122786
CCOC(=O)c1c(NC(=O)CNc2ccc(F)cc2Cl)sc2c1CCC2	CoCoCo_3371626,ZINC22_2646003,PC-id_2109054,MCULE-1299332958,EMOLS-id_3266949	396.864	OLARQGUYFOJWQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122787
CCCNC(=O)Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2	CoCoCo_5277528,PC-id_30862175	396.867	ULTSNYLHSTZMTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122788
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)ccc(F)c1	PC-id_44052936	396.867	JCGNHZIIVWPZIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122789
CCOC(=O)n1nc2c(c1NC(=O)C1CCCCC1)CN(C2(C)C)C(=O)Cl	PC-id_58015713,SCHEMBL1206336	396.868	DBXYCDHDWAORKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122790
CCOC(=O)n1nc2c(c1NC(=O)C1(CC)CCC1)CN(C2(C)C)C(=O)Cl	SCHEMBL19542100	396.868	LTRZWAKSOPBTJZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-122791
Clc1c(NC(=S)NNC(=O)c2sc3CCCc3c2)cc([N+](=O)[O-])cc1	PC-id_8746040	396.872	HJFLNJJGKYLJDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122792
c1(NC(=O)CS(=O)Cc2c(cccc2F)Cl)sc2c(CCC2)c1C#N	EMOLS-id_320679275,MCULE-8659713072	396.887	DDWNTTJZDHMXSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122793
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1c(cc(Cl)cc1)F	EMOLS-id_186661249,MCULE-3175492615	396.887	DRJBSZMYUATKQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122794
Clc1c(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(F)ccc1	PC-id_9197418	396.887	ZNRQLMGRBPYGPM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-122795
c1(c2CCCc2sc1C(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccccc1	STOCK2S-90229,PC-id_1943766,MCULE-8138068262,EMOLS-id_4467125,ZINC22_2329124	396.89	DUEBPWWVRWHZOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122796
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1	EMOLS-id_1231047,SCHEMBL12443260,PC-id_1049754,BAS-00486925,CoCoCo_81790,ZINC22_727187,SPECS-id_AE-848/34090104,MCULE-6167228414	396.89	QCDQPKRXJYETCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122797
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)Cl	ZINC22_970536,PC-id_1202863,EMOLS-id_1231063,MCULE-8605547312,TIMTEC426016,BAS-00486937,CoCoCo_81798	396.89	RJAXOKVYADTUQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122798
c1(c2CCCc2sc1NC(=O)c1cccc(Cl)c1)C(=O)Nc1ccccc1	ZINC22_727450,SPECS-id_AE-848/36439047,EMOLS-id_8206231,CoCoCo_6878967,PC-id_1049897,MCULE-2601050396	396.89	FELDEZIQFGQNOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122799
c1(C(=O)NC(C)C)cc2n(C[C@@H](NS(=O)(=O)Cc3ccc(cc3)Cl)C2)n1	EMOLS-id_316329274,MCULE-6969472027	396.892	WQZJGWHKCGZIHG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122800
c1(C(=O)NC(C)C)cc2n(CC(NS(=O)(=O)Cc3ccc(cc3)Cl)C2)n1	MCULE-9560370359	396.892	WQZJGWHKCGZIHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122801
Clc1ccc(cc1CN1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100753593	396.892	JURAPGJASZXYPI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122802
Clc1cc(ccc1CN1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_97704530	396.892	DFBZULMYJVZZCN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122803
CC(CC=C(C)Cl)C(C=CC1C(Cc2c1cc(o2)CCCCC(=O)O)O)O	PC-id_88699360	396.905	DQCHGTHQJYUDMZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122804
ClC(=CCC([C@H](O)C=C[C@H]1[C@H](O)Cc2oc(cc12)CCCCC(=O)O)C)C	PC-id_57319559,SCHEMBL10991329	396.905	DQCHGTHQJYUDMZ-SENCRUMESA-N	00000010100000000000000010000000000000000000000000000000	25-01-122805
OC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)O)/C=C/[C@@H](C(C/C=C(Cl)/C)C)O	PC-id_140339333	396.905	DQCHGTHQJYUDMZ-SYKFLPPKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122806
OC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)O)/C=C/[C@H](C(C/C=C(Cl)/C)C)O	SCHEMBL10964260	396.905	DQCHGTHQJYUDMZ-FYHBRFCWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122807
OC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)O)/C=C/[C@H]([C@H](C/C=C(/Cl)C)C)O	SCHEMBL10991326	396.905	DQCHGTHQJYUDMZ-ZNNMGQPASA-N	00000010100000000000000010000000000000000000000000000000	25-01-122808
CCOC(=O)c1c(NC(=O)CSc2ccc(cn2)Cl)sc2c1CCC2	PC-id_112815595	396.911	HUENOJZNNYYKDP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122809
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OC	PC-id_19677574	396.911	TXNIBHPHZANUOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122810
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(OC)cc1	PC-id_20415119	396.911	CFICAFPGWALJLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122811
BrC1C(NC(=O)C(F)(F)F)c2c(C1=O)c(Cl)sc2Cl	PC-id_85109630	396.996	VLUDPANXNVMZMU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122812
Br[C@H]1[C@H](NC(=O)C(F)(F)F)c2c(C1=O)c(Cl)sc2Cl	PC-id_10069354	396.996	VLUDPANXNVMZMU-IUYQGCFVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122813
CC1(CC=C(C(=C1)F)CN2CC3=C(C2=O)SC(=C3)C(C)(C)C)Br	PC-id_162208445	397.051	ZSNBIDKDTCKGFZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-122814
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(O)C)C	PC-id_78141269	397.06	LYLSQTGBVXOOLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122815
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)[C@@H](O)C)C	PC-id_71658302	397.06	LYLSQTGBVXOOLD-NUMBIYFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122816
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)[C@H](O)C)C	PC-id_71658303	397.06	LYLSQTGBVXOOLD-XGSYFURPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122817
n12c(=O)c(=Cc3cc(Cl)ccc3O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-2054425710	397.064	CGJKQPYCDACUAH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122818
Oc1ccc(Cl)cc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324914694	397.064	CGJKQPYCDACUAH-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122819
CCOCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_117787892,SCHEMBL16356281	397.083	SFVPQAFBFWSVGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122820
C1CC2=C(C1)SC(=C2C(=O)C3=CC=CC=C3)NC(=O)CN4C=NC(=N4)[N+](=O)[O-]	PC-id_154798008	397.084	GJRVDXGOCNMVNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122821
CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]	PC-id_154800440	397.084	YHDVQQBQQUVTQN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-122822
FC(F)(F)C1(OC(c2n1c(nn2)C)(C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_21827734	397.12	ISIKBFHVCJXYHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122823
c12CN(Cc1sc(Br)c2CBr)C(=O)OC(C)(C)C	MCULE-1682830345,EMOLS-id_331065380	397.126	YZHPNVIPOJDKJR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-122824
C1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)[O-])C(=O)[O-]	PC-id_154053820	397.14	FJCIZRQNPSSHTO-UHFFFAOYSA-L	00000010100010110001100010000000000000000000000000000000	25-01-122825
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=NN(C=C3)CCOC	PC-id_164872327	397.142	ZIDNMMVEORMHOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122826
CC1=CC=C(S1)C2=NC(=C(C=C2)N)CC(=O)N3CC4=CN(N=C4C3)CCOC	PC-id_160422044	397.157	RJDUSAWDXIQSMA-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-122827
CC(C)(CNC=O)OCCC1=CC=C(C=C1)C(=O)C2=CC=C3N2CC[C@@H]3C(=O)[O-]	PC-id_154466563	397.177	PXUJRRHUIZOUCM-KRWDZBQOSA-M	00000010100000110000000010000000000000000000000000000000	25-01-122828
CCCC[Sn](CCCC)(CCCC)c1cc2CCCn2n1	EMOLS-id_337893150,PC-id_22145423,SCHEMBL6078366	397.177	ZXHGADUWMGFLEH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122829
CC(C1=CC=C(C=C1)N2CCCC2=O)C(=O)NC3=NNC4=C3CN(C4)NC(=O)N	PC-id_153863655	397.186	PAOPGXVTURIEPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122830
CN1C=C(N=C1)[C@@H]2CN(C[C@H]2C(=O)N3CCOCC3)C(=O)C4=CC5=C(N4)CCC5	PC-id_154768690,MCULE-9994811976,EMOLS-id_317345026	397.211	UIAATDBXAJQCJH-HZPDHXFCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-122831
CCN(CC)c1ccc(cc1)N=C1C(=Nn2c1nnc2CNCCC(=O)OC)C	PC-id_163673526	397.223	JEQLERHQGUXSSD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-122832
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(Br)o2)n1	MCULE-9336154915	397.224	MNHVWQQRIXTLGZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-122833
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(Br)o2)n1	EMOLS-id_316336945,MCULE-8032526696	397.224	MNHVWQQRIXTLGZ-VIFPVBQESA-N	00000010101000000001000010000000000000000000000000000000	25-01-122834
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1ccc(Br)o1	EMOLS-id_317422703,MCULE-8568634785	397.224	UPFGBJZLYNQQIV-VIFPVBQESA-N	00000010101000000001000010000000000000000000000000000000	25-01-122835
Cc1ccn(c(=O)c1)CC(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br	MCULE-4906592440,EMOLS-id_320089016	397.244	QYQWSAKWQYWZEH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122836
Fc1cc(CN2CCn3c2c(C(=O)O)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740244	397.248	GZVUBGRLCZBTCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122837
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(c(c1)Cl)Cl	SCHEMBL596906,PC-id_59508366	397.256	OBKYAHBXJIKSOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122838
CC1=C(N=C(N=C1N2CC[C@H](C2)NCC3=C4CCCC4=NN3C)C(=O)N(C)C)C	PC-id_154796961	397.259	LCWJWIZEIPSUTG-OAHLLOKOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-122839
CCOc1c(Br)cc(C(=O)Nc2nc3c(s2)CCC3)cc1OC	EMOLS-id_24132573,MCULE-9542501191,PC-id_25676167,ZINC22_13022671,CoCoCo_4164200	397.287	PQHADECETQRFMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122840
CCNC(=NCc1nnc2n1CCC2)NCC(c1cc(Cl)cc(c1)Cl)O	PC-id_109492337	397.302	NNCAOYRAYYMHPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122841
O=C(c1cc(Br)n2c1CCC2)N1CC[C@@](CO)(C2CCOCC2)C1	ZINC22_1875396956	397.307	YTCBZYSRXVZOPS-GOSISDBHSA-N	00000010100010000000100010000000000000000000000000000000	25-01-122842
O=C(c1cc(Br)n2c1CCC2)N1CC[C@](CO)(C2CCOCC2)C1	ZINC22_1875396957	397.307	YTCBZYSRXVZOPS-SFHVURJKSA-N	00000010100010000000100010000000000000000000000000000000	25-01-122843
O=C(c1c(Br)nc2n1CCC2)NC1CCN(CC1)C1CCOCC1	EMOLS-id_258017822,MCULE-2206702088	397.31	AKRMVYLPBIQEQU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-122844
Brc1ccc(cc1)C(Cc1ccccn1)NCc1cnn2c1CCC2	EMOLS-id_316874713,MCULE-4623457605	397.312	NGUQMLBMGDBFAD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122845
Brc1ccc([C@H](Cc2ccccn2)NCc2cnn3c2CCC3)cc1	ZINC22_657446083	397.312	NGUQMLBMGDBFAD-IBGZPJMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-122846
Brc1ccc([C@@H](Cc2ccccn2)NCc2cnn3c2CCC3)cc1	ZINC22_657446085	397.312	NGUQMLBMGDBFAD-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122847
Clc1sc(Cl)cc1S(=O)(=O)NNC(=O)c1sc2CCCc2c1	PC-id_24449577	397.32	GYTGEROGGPOTET-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-122849
FC(F)(F)c1ccc(N2CCN(CC3Oc4n(C3)cc(n4)[N+](=O)[O-])CC2)cc1	PC-id_69481000,SCHEMBL5540981	397.352	AIUPRHFNAHPWDH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122850
FC(F)(F)c1ccc(N2CCN(C[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])CC2)cc1	PC-id_69480995,SCHEMBL5540976	397.352	AIUPRHFNAHPWDH-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-122851
Fc1c(NC(=O)C2N(Cc3n(ncc23)C)C(=O)O)ccc(n2c(=O)cccc2)c1	PC-id_77605016	397.36	GSBSWWJGJCHBKO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-122852
Fc1c(NC(=O)[C@@H]2N(Cc3n(ncc23)C)C(=O)O)ccc(n2c(=O)cccc2)c1	SCHEMBL4598083,PC-id_69109043	397.36	GSBSWWJGJCHBKO-QGZVFWFLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-122853
CCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(c(c1)F)C(C(F)(F)F)(C)C	PC-id_140261694	397.367	LJIATOWXHUCJGW-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122854
FCCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261702	397.367	JFCWEBBCQGVXRE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122855
S(=O)(=O)(c1c(n(nc1)c1ncncn1)N/N=C/1c2n(N=C1C#C)nc(n2)C)C	PC-id_58113659	397.375	DIVLEILADQQKIB-JAIQZWGSSA-N	00000011100000100001100010000000000000000000000000000000	25-01-122856
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)c1cc(F)ccc1F	MCULE-9588131751,EMOLS-id_207863125	397.378	GWGMSFSMNJHVFL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122857
CCOC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)n1ccoc1=O	PC-id_139982966	397.385	RRUGARATLMNGGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122858
COC(=O)c1cc2c([nH]1)CC/C/2=Cc1cccc(c1)c1ccc(cc1)C(F)(F)F	PC-id_66873428,SCHEMBL1003983	397.39	KDWPORGSBQBURK-SFQUDFHCSA-N	00000010100000110000100010000000000000000000000000000000	25-01-122859
FC(F)(F)c1ccc(c2cc(C=C3CCc4[nH]c(cc34)C(=O)OC)ccc2)cc1	PC-id_66873430	397.39	KDWPORGSBQBURK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-122860
CCc1c(nc2n1CC(O2)COc1ccc(cc1)C(C)(C)C(F)(F)F)C(=O)N	PC-id_86342411	397.391	WMOTYWIJZODKTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122861
COc1cc(C(=O)O)c(NS(=O)(=O)c2cnc3n2CCC3)c(OC)c1OC	ZINC22_97165062,MCULE-1999447620,EMOLS-id_49355991,PC-id_75524812	397.403	MOFXCXAWMWESBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122862
C1Cc2c(C1)sc(c2C(=O)N)/N=C/c1ccc(o1)c1c(ccc(c1)[N+](=O)[O-])O	PC-id_136178504	397.404	DVOCWOVGJSTSFD-ZVBGSRNCSA-N	00000010101000110000100010000000000000000000000000000000	25-01-122863
c1(NC(=O)c2ccc(c3cccc(c3)N(=O)=O)o2)sc2c(CCC2)c1C(=O)N	ZINC22_6882813,PC-id_4503994,TIMTEC388896,MCULE-8547441101	397.404	PTLZOJXXGKPSGF-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-122864
c1(NC(=O)c2ccc(c3ccccc3N(=O)=O)o2)sc2c(CCC2)c1C(=O)N	ZINC22_9194836,SPECS-id_AM-879/J186579,EMOLS-id_7681257,CoCoCo_1990744,PC-id_16487029,MCULE-2028088446,TIMTEC524477	397.404	WITMEVIWNZSVLF-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-122865
s1c2c(CCC2)c(c1N/C=c
/o/c(=C/2C=C([N+](=O)[O-])C=CC2=O)/cc1)C(=O)N	PC-id_50887502	397.404	AWCQOSRWVQNOFA-PXELCPQFSA-N	00000010101011000000100010000000000000000000000000000000	25-01-122866
s1c2c(CCC2)c(c1NC=c1oc(=C2C=C([N+](=O)[O-])C=CC2=O)cc1)C(=O)N	PC-id_75575287	397.404	AWCQOSRWVQNOFA-UHFFFAOYSA-N	00000010101011000000100010000000000000000000000000000000	25-01-122867
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C#N	PC-id_1667728	397.404	JZEWLYOPFCBSFL-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122868
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C#N	PC-id_4071110	397.404	JZEWLYOPFCBSFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122869
Cn1ccc(n1)C(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)F	PC-id_134789922	397.406	VIJCVCVROWMSTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122870
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	ZINC22_187313356,PC-id_145894451,MCULE-9031111058,EMOLS-id_320341572	397.408	GJAPEKJESPIIFY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-122871
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1C(=O)c1ccncc1)CCC2	MCULE-8024427395,EMOLS-id_320341316,PC-id_145894450,ZINC22_187315936	397.408	ZCONIEKNUORJGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-122872
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(n2ccnc2)cc1)C(=O)N	PC-id_7997323	397.408	CPSCVBQSNQRFNU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122873
CCCCc1c(F)c(F)c(c(c1F)F)CNC(=O)c1n(C)nc2c1CCC2C	PC-id_19433025,SCHEMBL8077536	397.41	ZSRHAWCPOAWAIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122874
Fc1c(C(C)(C)C)c(F)c(F)c(CNC(=O)c2n(nc3C(CCc23)C)C)c1F	PC-id_19433042,SCHEMBL8077556	397.41	RNWRDXBVRRNXFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122875
O=C([C@H]1Cc2nncn2C1)N1CC[C@H](NC(=O)[C@H]2CC[C@H](OC(F)F)CC2)C1	ZINC22_2325872682	397.42	JHHZZNHKWQTQSQ-XUXIUFHCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122876
O=C([C@@H]1Cc2nncn2C1)N1CC[C@H](NC(=O)[C@H]2CC[C@H](OC(F)F)CC2)C1	ZINC22_2325872683	397.42	JHHZZNHKWQTQSQ-YIYPIFLZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122877
c1(NC(=O)COCc2cc(on2)c2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-4411095485,EMOLS-id_16030258,PC-id_20864716	397.423	PINNGMLZDQJWMX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122878
CCOc1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)ccc1O	EMOLS-id_324836605	397.423	NVBXEHDINTUDEC-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122879
CCOc1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1O	EMOLS-id_324840688	397.423	GADABFOLBRITEL-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122880
CCOc1ccc(OCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1	EMOLS-id_324878339	397.423	OZRAGIVSZVALCV-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122881
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324879365	397.423	VVRNNQOVEJYKBS-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122882
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1	EMOLS-id_324881410	397.423	GGFRCXPJBXDMQV-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122883
COc1ccccc1OCc1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324873731	397.423	CNMWFJQXESESNN-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122884
COc1ccc(Cc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1OC	EMOLS-id_324925448	397.423	AJSQFYBLOFUWCL-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122885
COc1ccc(Cc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324926474	397.423	YOGZNYDKOLEMAZ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122886
COc1ccc(Cc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324924424	397.423	XSAWYQBLSXVLLJ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122887
COc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1OC	EMOLS-id_324835069	397.423	DVNZPPCRBHJKEE-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122888
COc1cccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1OC	EMOLS-id_324838641	397.423	SXGFTKDHBSDBLJ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122889
COc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)c1	EMOLS-id_324875782	397.423	FZCJWEBCAXEJSW-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122890
COc1ccc(OC)c(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)c1	EMOLS-id_324839153	397.423	SPJCNLFXQRNTNB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122891
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5269721737	397.423	XSAWYQBLSXVLLJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122892
n12nc(nc1sc(=Cc1ccccc1F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5459949693	397.423	AJSQFYBLOFUWCL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122893
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1ccc(cc1)OCC	MCULE-8253963015	397.423	OZRAGIVSZVALCV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122894
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)COc1ccc(cc1)OCC	MCULE-8626762801	397.423	GGFRCXPJBXDMQV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122895
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)Cc1ccc(F)cc1	MCULE-8902640025	397.423	SPJCNLFXQRNTNB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122896
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-6087271701	397.423	YOGZNYDKOLEMAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122897
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1ccc(cc1)OCC	MCULE-9280626874	397.423	VVRNNQOVEJYKBS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122898
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)Cc1ccc(F)cc1	MCULE-5749588554	397.423	SXGFTKDHBSDBLJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122899
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)Cc1ccc(F)cc1	MCULE-8756418215	397.423	GADABFOLBRITEL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122900
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1ccccc1OC	MCULE-2523570360	397.423	CNMWFJQXESESNN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122901
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1cccc(OC)c1	MCULE-2909005686	397.423	FZCJWEBCAXEJSW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122902
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)Cc1ccc(F)cc1	MCULE-3253097492	397.423	DVNZPPCRBHJKEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122903
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)Cc1ccc(F)cc1	MCULE-9376646867	397.423	NVBXEHDINTUDEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-122904
c12NC(=O)C(CC(=O)Nc3ccc(cc3)F)n1nc(SCc1ccccc1)n2	STOCK6S-47256,PC-id_135629927,EMOLS-id_17100791,MCULE-8087678459	397.426	YTLAFMCNAQCFHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122905
COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4590859,PC-id_31067569,EMOLS-id_44046539,MCULE-3414381432	397.426	MWWYOZQBFNGORC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122906
COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_25606444,CoCoCo_3532700,EMOLS-id_16730546,MCULE-8883803318	397.426	PJAWEDYPMPFGLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122907
COc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1[N+](=O)[O-]	CoCoCo_3541089,PC-id_16262944,EMOLS-id_15248874,MCULE-5979481382,ZINC22_9352282	397.426	JOHNCMNRLOCLJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122908
O=C(C[C@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1ccc(F)cc1	PC-id_135924991,ZINC22_13691058	397.426	YTLAFMCNAQCFHV-HNNXBMFYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-122909
O=C(C[C@@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1ccc(F)cc1	ZINC22_13691057,PC-id_135924990	397.426	YTLAFMCNAQCFHV-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-122910
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)ccc([N+](=O)[O-])c1	PC-id_35972180	397.426	WKEMSQFKIFQSPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122911
CCCC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCOC1=O	SCHEMBL2944378,PC-id_68452362	397.428	AHNWSGKIVIPBPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122912
CCOC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)C1CCNC1=O	PC-id_141251784	397.428	MVCGDAGAPPQOAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122913
O=c1ccn(c(=O)[nH]1)CCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109295	397.428	LZCJCGORTCJKFP-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-122914
c1(C(=O)NC2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1Cn1cccn1	MCULE-5901366268	397.431	LZTKCRUOXOWMNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122915
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2cc(on2)Cn2cc(cn2)C)n1	MCULE-5977736189,EMOLS-id_316328763	397.431	GAPYYRCQKMCVDC-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122916
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1Cn1cccn1	MCULE-8966985908,EMOLS-id_316329787	397.431	LZTKCRUOXOWMNV-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122917
CC(NC(=O)c1nn2c(c1)CC(C2)NC(=O)c1noc(c1)Cn1ncc(c1)C)C	MCULE-7457443329	397.431	GAPYYRCQKMCVDC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122918
O=C(c1cncc(n1)N1CCCC1)NC1CC(C1)NC(=O)c1nn2c(c1)OCC2	PC-id_145902727	397.431	OAJSLIJMURHQBN-UHFFFAOYSA-N	00001010100000100001100010000000000000000000000000000000	25-01-122919
O=C(NCc1nnc2n1CCC2)NCc1ccc(cc1)C(=O)N1CCNC(=O)C1	GD-id_ZINC45387212	397.431	DEEFSWLIAVQCMK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122920
O=C(N[C@H]1C[C@H](NC(=O)c2cc3n(n2)CCO3)C1)c1cncc(N2CCCC2)n1	ZINC22_1875309048,MCULE-5686873050,EMOLS-id_324022622	397.431	OAJSLIJMURHQBN-JOCQHMNTSA-N	00001010100000100001100010000000000000000000000000000000	25-01-122921
c1(C(F)(F)F)c2CCCc2n(CC(=O)N(CC)Cc2c(C)nn(CC)c2C)n1	TIMTEC606481,EMOLS-id_8867996,MCULE-4613216679,PC-id_19591227,ZINC22_20607512	397.438	ZWKODNDIYTXXOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122922
CCCCn1nc(NC(=O)C(CC)n2nc(c3CCCc23)C(F)(F)F)cc1C	MCULE-5976353974,PC-id_19590913,EMOLS-id_8867313	397.438	LWIOIOHAIJUCPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122923
CCCCn1nc(NC(=O)[C@H](CC)n2nc(C(F)(F)F)c3c2CCC3)cc1C	PC-id_29092496,ZINC22_20607589	397.438	LWIOIOHAIJUCPM-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122924
CCCCn1nc(NC(=O)[C@@H](CC)n2nc(C(F)(F)F)c3c2CCC3)cc1C	ZINC22_20607587,PC-id_29092495	397.438	LWIOIOHAIJUCPM-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122925
CCC(C(=O)NCC(C)Cn1ccc(C)n1)n1nc(c2CCCc12)C(F)(F)F	PC-id_19591173,TIMTEC406990,EMOLS-id_8867884,MCULE-8258279335	397.438	QNSOBESUUUOQLX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122926
CCC(C(=O)NCC(C)Cn1nccc1C)n1nc(c2CCCc12)C(F)(F)F	MCULE-1813720847,EMOLS-id_8867249,TIMTEC68669,PC-id_19590881	397.438	BALMOAFKIUZZDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122927
CCC(C(=O)NC(C)Cn1nc(C)cc1C)n1nc(c2CCCc12)C(F)(F)F	PC-id_19591234,TIMTEC132987,MCULE-3475489172,EMOLS-id_8868010	397.438	DUCMJEYRTIGURO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122928
CC[C@@H](C(=O)NC[C@@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092567,ZINC22_20607685	397.438	QNSOBESUUUOQLX-DOMZBBRYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122929
CC[C@@H](C(=O)NC[C@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092569,ZINC22_20607688	397.438	QNSOBESUUUOQLX-WFASDCNBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122930
CC[C@H](C(=O)NC[C@@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607687,PC-id_29092568	397.438	QNSOBESUUUOQLX-IUODEOHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122931
CC[C@H](C(=O)NC[C@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607689,PC-id_29092570	397.438	QNSOBESUUUOQLX-SWLSCSKDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122932
CC[C@@H](C(=O)NC[C@@H](C)Cn1nccc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092563,ZINC22_20607680	397.438	BALMOAFKIUZZDS-DOMZBBRYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122933
CC[C@H](C(=O)NC[C@@H](C)Cn1nccc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607682,PC-id_29092564	397.438	BALMOAFKIUZZDS-IUODEOHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122934
CC[C@@H](C(=O)NC[C@H](C)Cn1nccc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607683,PC-id_29092565	397.438	BALMOAFKIUZZDS-WFASDCNBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122935
CC[C@H](C(=O)NC[C@H](C)Cn1nccc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607684,PC-id_29092566	397.438	BALMOAFKIUZZDS-SWLSCSKDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122936
CC[C@@H](C(=O)N[C@@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092547,ZINC22_20607660	397.438	DUCMJEYRTIGURO-WFASDCNBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122937
CC[C@H](C(=O)N[C@@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092548,ZINC22_20607661	397.438	DUCMJEYRTIGURO-SWLSCSKDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122938
CC[C@@H](C(=O)N[C@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092549,ZINC22_20607662	397.438	DUCMJEYRTIGURO-DOMZBBRYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122939
CC[C@H](C(=O)N[C@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092550,ZINC22_20607663	397.438	DUCMJEYRTIGURO-IUODEOHRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-122940
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(F)cc1)C(=O)OC	PC-id_7544774	397.441	YQDUNGHIWMUEHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122941
S1(=O)(=O)C(c2n(C1)c(c(c2C(=O)OC)C(=O)OC)C)C(=O)C1CCCCC1	PC-id_11406841	397.443	GELISIOEXGUKFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-122942
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1cc(OC)ccc1	PC-id_43020776	397.444	KZFNEMMTOBTHBU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-122943
CCCCc1nc(nn1CC(=O)N1Cc2c(C1)nc(o2)C)c1ccc(c(c1)C)F	SCHEMBL17613251,PC-id_118964290	397.446	MQLOZUDDBZIMRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122944
c12c(CCC1C(=O)NCc1ccco1)sc(NC(=O)c1ccc(cc1)OC)n2	EMOLS-id_12347779,PC-id_16947858,MCULE-4048950197	397.448	NQZYYMGZZRYKPD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122945
c1(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590274,CHEMBL1384557,ZINC22_5055711,EMOLS-id_16349135,MCULE-1634848263,ChEMBL-DNDi_CHEMBL1384557,CHEBI:112934,PC-id_7475011	397.448	ZCUCCDVVNGGAQN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-122946
c1(NC(=O)c2[nH]nc(c3cccc(C)c3O)c2)sc2c(CCC2)c1C(=O)OC	MCULE-8259193319,PC-id_135675440	397.448	DVDAOGBCKQJJAJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122947
CC1(Cn2c(cnc2S1)[N+](=O)[O-])COCc1ccc(cc1)Oc1ccccc1	PC-id_137650469	397.448	IZPWIFQTMIXZPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122948
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COCc1ccc(cc1)Oc1ccccc1	PC-id_137651672	397.448	OFFDABWSQNAUDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122949
CC1(COc2ccc(cc2)OCc2ccccc2)Sc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_146000054	397.448	JXIHOFCAWCSGLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122950
CNC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)CCC2=O)sc2c1CCC2	CoCoCo_2590266,PC-id_7475000	397.448	IHDAOQSOUXJKNT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-122951
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccco2)cc1	PC-id_41007223,CoCoCo_5124874,ZINC22_9301364	397.448	NQZYYMGZZRYKPD-OAHLLOKOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122952
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccco2)cc1	ZINC22_9301363,CoCoCo_5124875,PC-id_41007222	397.448	NQZYYMGZZRYKPD-HNNXBMFYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-122953
[O-][N+](=O)c1nc2n(c1)CC(S2)COCc1ccc(cc1)OCc1ccccc1	PC-id_145966673	397.448	IRMPUCWFWRQPMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122954
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=O)C(=CC=C2)C)/NN1)C(=O)OC	PC-id_19119213	397.448	VNPHNCKZMRLNPZ-ACCUITESSA-N	00000011100011000001100010000000000000000000000000000000	25-01-122955
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C)C#N	PC-id_8753104	397.448	MADJAEZUTKHXDI-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122956
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccc(cc1)C)C#N	PC-id_16530144	397.448	KMJNJYXRYVMXSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122957
s1c2CCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1ccccc1)C)C#N	PC-id_84829276	397.448	MADJAEZUTKHXDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122958
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)Cc1ccccc1)C#N	PC-id_8523499	397.448	MLTIMSRZIZPWGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122959
c12SCCn1cc(CNc1nccc(c3ccc(c(C(=O)O)c3)OCC)n1)n2	ZINC22_77488888,PC-id_70770189,EMOLS-id_43594797,MCULE-8767049642	397.451	OONMZTKXRMLFQO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122960
c1(NC(=O)Cn2c(=O)ccc(c3ccc(cc3)OC)n2)n(C)nc2CSCc12	EMOLS-id_35784772,ZINC22_61718663,STOCK7S-12871,MCULE-3527309257,PC-id_52898881	397.451	RPIUKXYUVCPCMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122961
c1(NC(=O)Cn2c(=O)ccc(c3ccccc3OC)n2)n(C)nc2CSCc12	MCULE-3961793105,ZINC22_604418469,STOCK7S-64142,EMOLS-id_188940160	397.451	RFHQMQPCOYAVMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122962
c1(NC(=O)Cn2c(=O)ccc(c3cccc(OC)c3)n2)n(C)nc2CSCc12	EMOLS-id_35785312,STOCK7S-13201,ZINC22_61718941,MCULE-7381723803,PC-id_52899205	397.451	XOZIGCNPHRIXFX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122963
c1(NC(=O)COc2cccnc2NC(=O)NC2CC2)sc2c(CCC2)c1C#N	MCULE-7343699367,EMOLS-id_321873787	397.451	JCTQDZXFIGOCGU-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-122964
c1(NC(=O)COc2cccnc2NC(=O)NCC=C)sc2c(CCC2)c1C#N	MCULE-7827688667,EMOLS-id_321874040	397.451	VTRVWMYMHAJRRC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-122965
Cc1nn(CC(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)c(=O)n1C	ZINC22_653751155,MCULE-8266404678,EMOLS-id_316928442	397.451	KORNMCNGPGUEAY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-122966
C/C=C/C=N/c1c(C(=O)Nc2ccc(cc2)S(=O)(=O)N)n2c(c1C#N)CCC2	CoCoCo_5763429,PC-id_5470028,NSC696789	397.451	WOAQQAFZXZKOBG-KTWYXVPMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122967
C/C=CC=N/c1c(C(=O)Nc2ccc(cc2)S(=O)(=O)N)n2c(c1C#N)CCC2	CoCoCo_5763430	397.451	WOAQQAFZXZKOBG-ZPVUTVICSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122968
C/C=C/C=Nc1c(C(=O)Nc2ccc(cc2)S(=O)(=O)N)n2c(c1C#N)CCC2	CoCoCo_5763431	397.451	WOAQQAFZXZKOBG-CVVVMZPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122969
C/C=CC=Nc1c(C(=O)Nc2ccc(cc2)S(=O)(=O)N)n2c(c1C#N)CCC2	CoCoCo_5763432	397.451	WOAQQAFZXZKOBG-HEPFNNDASA-N	00000010100000110000000010000000000000000000000000000000	25-01-122970
Cn1ncc2CN(Cc12)C(=O)NCc1ccc(cn1)S(=O)(=O)c1ccccc1	BindingDB_PC-id_71726623,PC-id_71726623,BindingDB-id_440039,SCHEMBL16820338	397.451	SWVGIXMIMCTCHF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-122971
s1c2CCCc2cc1C(=O)OCc1nc(Nc2c(OC)cccc2)nc(n1)N	PC-id_46641654	397.451	QAOGINQFUODLIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122972
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccc(cc1)C)C(=O)OC	PC-id_16517176	397.451	IVUVZNDSJCRHPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122973
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccccc1)C(=O)OCC	PC-id_4810536	397.451	CXNIEMSGRLBVSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-122974
s1c2CCCc2nc1NC(=O)c1ccc(Cn2nc(c([N+](=O)[O-])c2C)C)cc1	PC-id_26723427	397.451	BGNAJYQPLJCGEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122975
S(=O)(=O)(Nc1ccccc1)c1ccc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_36126857	397.451	GEMLCAGSJFPYPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122976
S(=O)(=O)(N)c1ccc(NC(=O)c2n3CCCc3c(c2/N=C/C=CC)C#N)cc1	PC-id_393862	397.451	WOAQQAFZXZKOBG-NNPILDTQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122977
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(SC(F)F)cc1)C	PC-id_78674772	397.459	WVCBZCIDCDHAOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122978
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C	PC-id_8358999	397.459	WVCBZCIDCDHAOK-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-122979
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C	PC-id_8359006	397.459	WVCBZCIDCDHAOK-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122980
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1ccc(F)cc1)C	PC-id_4655828	397.463	ITCNCCTWCNOQLS-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-122981
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1cc(F)ccc1)C	PC-id_7224652	397.463	CJVRNXOUJXYONZ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-122982
COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408617270	397.466	FSLBASNGSPNQGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-122983
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@H]([C@](CCCc2ccccc2)(C(=O)O)C1)O	ZINC22_2356138304,EMOLS-id_337811977,MCULE-2141070977	397.467	IVCUTEYVZBCBHO-XMSQKQJNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122984
c1(c2CCCc2[nH]n1)C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1	EMOLS-id_330440256,ZINC22_1857736637,MCULE-9058635517	397.471	URJHFKVIBSJONP-ICSRJNTNSA-N	00000010100010101001100010000000000000000000000000000000	25-01-122985
c1(C(=O)N2CCC(CC2)(OC)C(=O)NCCc2ccncc2)c2CCCc2[nH]n1	MCULE-7951959481,ZINC22_1857711773,EMOLS-id_324178749,PC-id_154570984	397.471	LWGFEXVDFTVEOF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-122986
c1(C(=O)N(C)CC(=O)N2CCCCCC2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316324151,MCULE-8384386886	397.471	LMSARAURIHYEFK-SFHVURJKSA-N	00000010100000101101000010000000000000000000000000000000	25-01-122987
c1(C(=O)N(C)CC(=O)N2CCCCCC2)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-4296981959	397.471	LMSARAURIHYEFK-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-122988
Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@H](C[C@H]1O)C(=O)NCc1nnc2CCCn12	EMOLS-id_336496566,ZINC22_1940194969	397.471	FYINEILWALABMY-GVDBMIGSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122989
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)C(C)C)NC(=O)c1ccccc1	PC-id_141417088	397.471	JPTCRLGIJOVMQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122990
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)CC)N(c1ccc(cc1)C)C=O	PC-id_141257345	397.471	UTNAPFBYNRUMOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-122991
CCOC1=C(OCC)c2n(C1=Nc1ccc(cc1)N(CC)CC)ncc2C(=O)N	SCHEMBL14342456,PC-id_58776935	397.471	FSYGJNTZKFAGRM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-122992
CNC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1	SCHEMBL14521556,PC-id_71191410	397.471	YCVDXSPHXJGZMW-MRXNPFEDSA-N	00100010100000110001000010000000000000000000000000000000	25-01-122993
COc1ccc(cc1/C=c/1sc2n(c1=O)nc(n2)/C=C/c1cccs1)OC	STOCK4S-56421,ZINC22_5215266,EMOLS-id_206966068	397.471	STEDAVDSHYVPQJ-JCBYOESDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122994
COc1cc(ccc1OC)/C=c/1sc2n(c1=O)nc(n2)/C=C/c1cccs1	STOCK4S-54069,EMOLS-id_206990529,ZINC22_5191540	397.471	UXWKMIUPBVBJSS-JCBYOESDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122995
COc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)c(OC)c1	ZINC22_27022007,EMOLS-id_45970274	397.471	QUKBYMAOAUCZMM-SPFIUAHJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122996
COc1cccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)c1OC	ZINC22_16779430	397.471	ZIDZRYOSFVSPEX-QCTDOKRBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-122997
COc1cccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)c1OC	ZINC22_27022020,EMOLS-id_45970278	397.471	ZIDZRYOSFVSPEX-NOCYUORASA-N	00000000100100110001000010000000000000000000000000000000	25-01-122998
COc1cccc(CN2CCNC(=O)C2CC(=O)NCc2n[nH]c3CCCc23)c1	PC-id_45225056,EMOLS-id_20635629,MCULE-1954335841	397.471	IMCMNRICUILRJH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-122999
COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c3c2CCC3)c1	CoCoCo_1471926,CoCoCo_1471930,CoCoCo_1471928,ZINC22_19790904,CoCoCo_1471924	397.471	IMCMNRICUILRJH-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123000
COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2n[nH]c3c2CCC3)c1	ZINC22_19790903,CoCoCo_1471929,CoCoCo_1471927,CoCoCo_1471925,CoCoCo_1471923	397.471	IMCMNRICUILRJH-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-123001
n12nc(nc1sc(=Cc1ccc(cc1OC)OC)c2=O)C=Cc1cccs1	MCULE-9634189121	397.471	QUKBYMAOAUCZMM-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123002
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)C=Cc1cccs1	MCULE-4156847091	397.471	UXWKMIUPBVBJSS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123003
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)C=Cc1cccs1	MCULE-4515112905	397.471	ZIDZRYOSFVSPEX-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123004
n12nc(nc1sc(=Cc1cccs1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9627409827	397.471	CQWKYDJEHODURC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123005
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)C=Cc1cccs1	MCULE-7682355607	397.471	STEDAVDSHYVPQJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123006
N#Cc1c(NC(=O)COC(=O)c2sccc2n2cccc2)sc2c1CCC2	MCULE-3214679980,PC-id_22108706,CoCoCo_4587676,ZINC22_14244443,EMOLS-id_13566386	397.471	SSAOGVACZJFMES-UHFFFAOYSA-N	00000010110100000000100010000000000000000000000000000000	25-01-123007
O=C([C@@H]1CCCN(C1)C(=O)OCc1ccccc1)Nc1n[nH]c2c1CNC2(C)C	PC-id_140963664	397.471	SAAZYIBLOPKDKG-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123008
O=C(N1Cc2n(nc(NC(=O)c3ccc(cc3)C)c2C1)C(=O)CC)NCCCC	PC-id_54767478	397.471	MIMYVAUJDYUCCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123009
O=C(N1Cc2n(nc(NC(=O)Cc3ccccc3)c2C1)C(=O)CC)NCCCC	PC-id_54767817	397.471	YUDKYOOWOFWHNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123010
O=C(Nc1n[nH]c2C(N(Cc12)C(=O)OC(CNC)c1ccccc1)(C)C)C1CC1	PC-id_78025470	397.471	YCVDXSPHXJGZMW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-123011
c1(NC(=O)C2=NN(C(=O)CC2)C2CCS(=O)(=O)C2)n(C)nc2CSCc12	STOCK7S-22753,MCULE-4665849187,EMOLS-id_36514444,PC-id_56762542	397.472	RAQVWZCTDNTWFW-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-123012
Cn1nc2c(c1NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2	PC-id_95391741,ZINC22_71286600	397.472	RAQVWZCTDNTWFW-SECBINFHSA-N	00000010100011000001100010000000000000000000000000000000	25-01-123013
Cn1nc2c(c1NC(=O)C1=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2	ZINC22_71286601,PC-id_95391742	397.472	RAQVWZCTDNTWFW-VIFPVBQESA-N	00000010100011000001100010000000000000000000000000000000	25-01-123014
Cn1[nH]c2c(c1=NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2	ZINC22_334159186	397.472	YLBYKYUQXNSFKZ-SECBINFHSA-N	00000010100011000001100010000000000000000000000000000000	25-01-123015
Cn1[nH]c2c(c1=NC(=O)C1=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2	ZINC22_334159187	397.472	YLBYKYUQXNSFKZ-VIFPVBQESA-N	00000010100011000001100010000000000000000000000000000000	25-01-123016
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1nnc(Cc2ccccc2)[nH]1	MCULE-4926372889,EMOLS-id_328221821	397.472	PITSVZSOLZYMNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123017
c1(NC(=O)COc2cccc(c2)c2nnc(N)s2)sc2c(CCC2)c1C#N	MCULE-1204933870,EMOLS-id_332758587	397.474	MSGLCFSXEDRDEA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123018
c1(NC(=O)COc2cccc(c2)c2nsc(N)n2)sc2c(CCC2)c1C#N	EMOLS-id_332755504,MCULE-5921810027	397.474	PJNBUTBFWKYHFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123019
CC1CN(CC(N1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_91970536,SCHEMBL598520	397.474	ORIKCQNTMAJVLQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123020
Cc1nccn1CC(=O)N1CC(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1	ZINC22_1875328197	397.474	FFYKLTAZHBZCAJ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-123021
CC1NCC(N(C1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_59508340,BindingDB_PC-id_59508340,SCHEMBL598977	397.474	XJLBPZXEZKVALJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123022
CCC1CN(CCN1C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508293,SCHEMBL10076796	397.474	ZEZGASOKUVXGJG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123023
CCC1CN(CCN1C)C(=O)N1Cc2c([C@@H]1C)[nH]nc2NC(=O)c1ccccn1	PC-id_122626144,SCHEMBL18155685	397.474	ZEZGASOKUVXGJG-LSLKUGRBSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123024
CCCSP(=S)(ON=C1n2ccnc2S(=O)(=O)C1(C)C)OCC	SCHEMBL11059260,PC-id_54572446	397.474	ZYGUSADOUGWOLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123025
C[C@@H]1N[C@H](C)CN(C1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	BindingDB_PC-id_91970536	397.474	ORIKCQNTMAJVLQ-BETUJISGSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123026
CCN1CCN(CC1C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508286,SCHEMBL6376620	397.474	LHFBIWIZKVMURO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123027
CCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1	SCHEMBL2916755,PC-id_68440055	397.474	OLWDHYSWMAWQGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123028
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508245,SCHEMBL10076809	397.474	LZJRKINRPJAGNL-AMIUJLCOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123029
CN1CCN(C(C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_71053200,SCHEMBL14038443	397.474	GBRQTXDTFSVYMA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123030
CN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL6377453,PC-id_59508254	397.474	GBRQTXDTFSVYMA-ZDUSSCGKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123031
NCCC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_139271157	397.474	UGUKESMGECKGBO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123032
O=C(N1C(CCCC1)CNC(=O)Nc1ccccc1)NCc1n2CCCc2nn1	MCULE-2286182364,EMOLS-id_48318410,PC-id_75443352	397.474	ULESTAHWCYMZSK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123033
O=C(NC[C@H]1CCCCN1C(=O)NCc1nnc2n1CCC2)Nc1ccccc1	PC-id_97334579,ZINC22_95985675	397.474	ULESTAHWCYMZSK-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123034
O=C(NC[C@@H]1CCCCN1C(=O)NCc1nnc2n1CCC2)Nc1ccccc1	ZINC22_95985674,PC-id_97334578	397.474	ULESTAHWCYMZSK-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123035
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)NN)C(=O)OCC	PC-id_17344913	397.476	SOKJSEOIWWDYOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123036
N#Cc1c(NC(=O)CSc2nnc(c3cccnc3)n2N)sc2c1CCC2	CoCoCo_3021574,EMOLS-id_3393671,PC-id_2561638,MCULE-6246863527,ZINC22_3441604	397.477	MLCJSVHZFSYDAO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-123037
O=C(Cc1ccc(cc1F)S(=O)(=O)C)Nc1nc2c(s1)CN[C@H]2C(C)C	SCHEMBL16224730,PC-id_117688906	397.487	QOOOQGRORJOKSV-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123038
s1c2CCCc2nc1NC(=O)CCCN(S(=O)(=O)c1ccc(F)cc1)C	PC-id_33039930	397.487	ROOMLZVHJIYRMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123039
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NCCCOC)C)C(=O)OC	PC-id_51261043	397.489	JMYNWLGCHKPDCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123040
c1(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)sc2c(CCC2)c1C(=O)NC	MCULE-5623915712,EMOLS-id_334329304	397.491	JSYPRCMCNGHUCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123041
c1(NC(=O)COc2cccc(c2)NC(=O)CCCC)sc2c(CCC2)c1C#N	EMOLS-id_323194650,MCULE-1541263264	397.491	AEJCYEIEJMZDQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123042
c1(NC(=O)COc2ccc(cc2)NC(=O)C(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_323200962,MCULE-2736776015	397.491	RCUBABPGAZMASN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123043
c1(NC(=O)COc2cccc(c2)NC(=O)C(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_323204371,MCULE-9975006937	397.491	CGVSASNYMMHZDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123044
c1(NC(=O)COc2cccc(c2)NC(=O)CC(C)C)sc2c(CCC2)c1C#N	MCULE-6179249691,EMOLS-id_323218975	397.491	YWHBCDJRLISYLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123045
c1(NC(=O)COc2ccc(cc2)NC(=O)CCCC)sc2c(CCC2)c1C#N	MCULE-7207711273,EMOLS-id_323190475	397.491	VUHXOEHMCQBTSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123046
c1(NC(=O)COc2ccc(cc2)NC(=O)CC(C)C)sc2c(CCC2)c1C#N	MCULE-8132254142,EMOLS-id_323212235	397.491	FKFFQKUTMDUYHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123047
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](c2cccc(O)c2)C1	ZINC22_121574247	397.491	GUHLKMJVOHYWKV-UGSOOPFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123048
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](c2cccc(O)c2)C1	ZINC22_121574421	397.491	GUHLKMJVOHYWKV-ACJLOTCBSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123049
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](c2cccc(O)c2)C1	ZINC22_246742807	397.491	GUHLKMJVOHYWKV-FZKQIMNGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123050
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](c2cccc(O)c2)C1	ZINC22_246742822	397.491	GUHLKMJVOHYWKV-SCLBCKFNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123051
Cn1nc(c2c1CCC2)CN(S(=O)(=O)/C=C/c1ccccc1)Cc1ccco1	PC-id_117054880	397.491	USRAWDZNHIRXFR-WYMLVPIESA-N	00000010101000110001000010000000000000000000000000000000	25-01-123052
Cn1nc(c2c1CCC2)CN(S(=O)(=O)C=Cc1ccccc1)Cc1ccco1	PC-id_92109616	397.491	USRAWDZNHIRXFR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123053
N#Cc1c(NC(=O)C(N2CCOC(C2)c2cccc(c2)O)C)sc2c1CCC2	MCULE-6882695924,EMOLS-id_100504723	397.491	GUHLKMJVOHYWKV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123054
s1c2CCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)c1c(c(ccc1)C)C	PC-id_46666867	397.491	CAYVYXMNVGZRDZ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123055
s1c2CCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)CCc1ccccc1	PC-id_51274845	397.491	UYBLKUVYUBIKLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123056
s1c2c(CCC2)c(c1NC(=O)CN1CCC(=CC1)c1ccc(O)cc1)C(=O)N	PC-id_55470550	397.491	ZQGLREYCADRQKE-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-123057
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(N(CC)CC)cc1)C#N	PC-id_8234743	397.491	XJFVAPRRIVMOGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123058
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(NCCCC)cccc1)C#N	PC-id_16505111	397.491	PIBBEGXSWFRNBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123059
CC1OC(C)CN(C1)S(=O)(=O)N1CCN(CC1)C(=O)c1cnn2c1CCC2	MCULE-5739091487,EMOLS-id_316148014	397.492	WLPHNBAYGLXOFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123060
CC1OC(C)CN(C1)S(=O)(=O)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_98018503	397.492	AQOYEUJFRHGJRQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123061
CC(CNC(=O)N1CCCC(C1)C(=O)NS(=O)(=O)c1cnc2n1CCC2)C	EMOLS-id_110466217	397.492	IKOFQHKKJXNBQO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123062
C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnn4c3CCC4)CC2)C[C@H](C)O1	ZINC22_577704537	397.492	WLPHNBAYGLXOFC-KBPBESRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123063
C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnn4c3CCC4)CC2)C[C@@H](C)O1	ZINC22_577704538	397.492	WLPHNBAYGLXOFC-OKILXGFUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123064
C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnn4c3CCC4)CC2)C[C@@H](C)O1	ZINC22_577704539	397.492	WLPHNBAYGLXOFC-ZIAGYGMSSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123065
CC1OC(C)CN(C1)Cc1ccc(cc1)C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_99349219	397.494	DBGSDAPZPAEYGK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123066
CC(C)c1ccc(n2cc(O)c(C(=O)NCCc3cn4c(n3)SCC4)n2)cc1	MCULE-6152519090,PC-id_86796097,ZINC22_170597364,EMOLS-id_49949158	397.494	GJLXIACWXCSCED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123067
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1ncc(cc1)C)C)C#N	PC-id_56389509	397.494	DLAZUSCAELQVPD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123068
N#Cc1nccnc1N1CCN(C(C1)C)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102003816	397.497	WLTSCPVNVCPCHA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-123069
CCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)OC	SCHEMBL11604441,PC-id_20351606	397.507	UUFXMCVPXXECOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123070
CCOc1ccc(cc1)C(=O)c1c(CC)cc2n1CCC2C(=O)OCCC(C)C	PC-id_20351630,SCHEMBL11603379	397.507	GZOLCKCYWOMCDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123071
s1c2c(CCC2)c(c1NC(=O)CCN(C1CC1)C(c1c(F)cccc1)C)C#N	PC-id_56525372	397.509	WDFIKHHFXOZUKW-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-123072
Cc1nn(c2c1C(CC2)C(C)C)C(=O)CCc1ccc(cc1)CNCCC(=O)O	SCHEMBL15978930,PC-id_90362732	397.511	OZPNPBQCHXATOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123073
CCOc1ccc(cc1)OCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109802	397.511	ZYMPKKQDLIDZOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123074
CNCCC(C#C/C(=C/C(=CC)/n1nc(c2c1CCC2C)C(=O)OCC)/C=C)O	PC-id_144793237	397.511	DPIOUKIBHRMAAT-BOOYQJHASA-N	00000010100000000001000010000000000000000000000000000000	25-01-123075
COc1cc(ccc1OC)CC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109811	397.511	VIPMOHFXGRQAER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123076
O=C(C1CC(=O)N(C1)C1CCS(=O)(=O)C1)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102162373	397.512	AOUGTUXRZPNZSE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-123077
s1c2c(CCC2)c(c1NC(=O)CSC1NC(CC(=O)N1)C)C(=O)OCC	PC-id_78291269	397.512	ZSDXLDGRCXNAQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123078
c12c(CCC1C(=O)NCc1cccs1)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947543,EMOLS-id_12347147,MCULE-6037157440	397.514	YUNKTBADBPELKX-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-123079
c1(cc2n(C[C@@H](Oc3ccncc3)C2)n1)C(=O)N(CCCC)C1CCN(CC1)C	MCULE-7138466472,EMOLS-id_316324158	397.514	DSNFOKXUYIZTEI-FQEVSTJZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123080
c1(C(=O)NCCCN2CCN(CC2)Cc2ccccc2)cc2n(C[C@@H](OC)C2)n1	MCULE-8881434981,EMOLS-id_316335454	397.514	VFEVJQMGRMXVOJ-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123081
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2cccs2)cc1	CoCoCo_5124817,ZINC22_9132169,PC-id_40946050	397.514	YUNKTBADBPELKX-HNNXBMFYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-123082
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2cccs2)cc1	PC-id_40946051,CoCoCo_5124816,ZINC22_9132170	397.514	YUNKTBADBPELKX-OAHLLOKOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-123083
Cc1c(sc(n1)c1ccc(cc1)O)/C(=N/NC(=O)c1cc2c(s1)CCC2)/C	PC-id_135846434	397.514	OAKXFQFUGMNYMX-WSDLNYQXSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123084
Cc1nc(COc2ccccc2/C=C/C(=O)Nc2nc3c(s2)CCC3)cs1	PC-id_47017549,ZINC22_48346192	397.514	MOVTVDXCZYJRRA-MDZDMXLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123085
CCc1sc(c2ccccc2C(=O)N)cc1C(=O)Nc1nc2c(s1)CCC2	CHEMBL1822111,PC-id_53387835	397.514	PKPOVBDXYFZJMG-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-123086
CCN(Cc1ccncc1)CC1(O)CCCN(CC1)C(=O)c1n[nH]c2CCCc12	BDE-30844446,EMOLS-id_44405034,MCULE-3591036871,PC-id_110098120	397.514	LLDLWZPHTFPQCF-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-123087
CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_257262368	397.514	LLDLWZPHTFPQCF-JOCHJYFZSA-N	00000010100000101101000010000000000000000000000000000000	25-01-123088
CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_257262369	397.514	LLDLWZPHTFPQCF-QFIPXVFZSA-N	00000010100000101101000010000000000000000000000000000000	25-01-123089
CC(=O)NCc1ccc(c2csc(NC(=O)c3cc4c(s3)CCC4)n2)cc1	PC-id_8892204,CoCoCo_3865992,ZINC22_7778429,MCULE-8726356320,EMOLS-id_3649819	397.514	KVLNBJQWYUJSIO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123090
CN(C1CCCCC1)CCCNC(=O)c1nn2c(c1)C[C@@H](C2)Oc1cccnc1	EMOLS-id_316323129,MCULE-6261616371	397.514	WEOPMYZNNVMSJJ-FQEVSTJZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123091
COC1Cn2c(C1)cc(n2)C(=O)NCCCN1CCN(CC1)Cc1ccccc1	MCULE-5258967320	397.514	VFEVJQMGRMXVOJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123092
N#Cc1c(NC(=O)CN(Cc2ccco2)Cc2cccs2)sc2c1CCC2	CoCoCo_3951174,MCULE-9195637033,ZINC22_7580618,PC-id_8677993,EMOLS-id_3678733,CoCoCo_3951173	397.514	HMISGYUZKCDKKX-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-123093
N#Cc1c(sc2c1CCC2)NC(=O)[C@@H]([NH+]1CCN(CC1)c1ccc(cc1)O)C	GD-id_ZINC25505424	397.514	VGBIEONZKDJPOB-AWEZNQCLSA-O	00000010100010110001100010000000000000000000000000000000	25-01-123094
O=C(c1cnn2c1CCC2)N1CCCC(C1)Cc1onc(n1)C1CCCCCC1	MCULE-5091947633	397.514	QQDGIXUCRDGUHG-UHFFFAOYSA-N	00000010100010000101100010000000000000000000000000000000	25-01-123095
O=C(c1cnn2c1CCC2)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1	ZINC22_516621363	397.514	QQDGIXUCRDGUHG-INIZCTEOSA-N	00000010100010000101100010000000000000000000000000000000	25-01-123096
O=C(c1cnn2c1CCC2)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1	ZINC22_516621364	397.514	QQDGIXUCRDGUHG-MRXNPFEDSA-N	00000010100010000101100010000000000000000000000000000000	25-01-123097
O=C(Nc1sc2c(n1)CCC2)C=Cc1ccccc1OCc1csc(n1)C	MCULE-9214644711,PC-id_72058995,EMOLS-id_30735243	397.514	MOVTVDXCZYJRRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123098
O=C(Nc1sc2c(n1)CCC2)/C=Cc1ccccc1OCc1csc(n1)C	PC-id_97647758	397.514	MOVTVDXCZYJRRA-KTKRTIGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123099
s1c2CCCc2cc1C(=O)NNC(=c1s/c(=C/C=CC(=O)C=C2)/nc1C)C	PC-id_8979973	397.514	JDMRRROFIOTXBA-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-123100
s1c2CCCc2c(c1NC(=O)CC[NH+](CC(=O)Nc1ccc(cc1)C)C)C#N	PC-id_37650636	397.514	JKPSGQZJUZSKMR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123101
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc(OC)cc1)C#N	PC-id_2655447	397.514	GHANFASDPYFHQS-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-123102
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1cc(OC)ccc1)C#N	PC-id_2698441	397.514	GZFZAJTZAVWHSV-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-123103
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(OC)cccc1)C#N	PC-id_7922164	397.514	MRALWSUSWVKVPF-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-123104
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1c(cccc1C)C)C)C#N	PC-id_2699980	397.514	PTZZVRBXIIPCEN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123105
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1c(c(ccc1)C)C)C)C#N	PC-id_9288142	397.514	DKVGEPMPAOFESF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123106
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1c(CC)cccc1)C)C#N	PC-id_9304281	397.514	WSAVRKFAZWITRH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123107
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/c1ccc(OCC)cc1)C#N	PC-id_17227507	397.514	MHBUOPMNRXVJEK-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123108
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1ccc(OCC)cc1)C#N	PC-id_73375807	397.514	MHBUOPMNRXVJEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123109
CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-3814407466,EMOLS-id_321720133	397.516	OUSHRJHMGGBCTG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123110
N#Cc1c(NC(=O)C(N2CCN(CC2)S(=O)(=O)NC)C)sc2c1CCC2	EMOLS-id_111988912	397.516	BINPCEYDCVTONJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123111
c1(C(=O)N2CCC(CC2)n2cc(nn2)CN2CCC(C)(C)C2)c2CCCc2[nH]n1	MCULE-5512734662,CoCoCo_1458090,ZINC22_23398947,CoCoCo_1458092,EMOLS-id_24861417,PC-id_31074690,CoCoCo_1458091,CoCoCo_1458093	397.517	VVYPREGKYSFBFN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123112
Cc1nc(C)c(c(n1)N1CCN(CC1)CCN(C(=O)c1cnn2c1CCC2)C)C	MCULE-5547527475,PC-id_145899832,EMOLS-id_320368534	397.517	XXTTVFREPRFZCN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-123113
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H](C)c3cc4n(n3)CCC4)C2)c1C	ZINC22_1875398062	397.517	ZHZYQLYCDXUMIJ-HZPDHXFCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-123114
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)c3cc4n(n3)CCC4)C2)c1C	ZINC22_1875398063	397.517	ZHZYQLYCDXUMIJ-JKSUJKDBSA-N	00000010100000100001100010000000000000000000000000000000	25-01-123115
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H](C)c3cnn4c3CCC4)C2)c1C	ZINC22_1875397698	397.517	KVELTJYLFQBSFK-HZPDHXFCSA-N	00000010100000100001100010000000000000000000000000000000	25-01-123116
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)c3cnn4c3CCC4)C2)c1C	ZINC22_1875397699	397.517	KVELTJYLFQBSFK-JKSUJKDBSA-N	00000010100000100001100010000000000000000000000000000000	25-01-123117
CCNC(=NCc1ccccc1CN1CCOCC1)NCc1nnc2n1CCC2	PC-id_111020481	397.517	YHSWMIRTMHEVFY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123118
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(n1)C	PC-id_59333947,SCHEMBL3325826	397.517	XDMIRLDHBJHMGA-CABCVRRESA-N	00000010100010101001000010000000000000000000000000000000	25-01-123119
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(cc1)OC)N1CCCC1	PC-id_111020353	397.517	HXUJCXMVLUZYAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123120
CN=C(NCc1nnc2n1CCC2)NCC(c1ccccc1OC)N1CCCC1	PC-id_111020391	397.517	WRNAEESTEPCMLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123121
CN=C(NCc1nnc2n1CCC2)NCC(c1cccc(c1)OC)N1CCCC1	PC-id_111020421	397.517	QVFAMAWNBXZGCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123122
CN(C(=O)c1nc(N2CC[C@H](C2)NC(c2cnn3c2CCC3)C)c(c(n1)C)C)C	MCULE-3048715232,EMOLS-id_324005074,PC-id_145911427	397.517	KVELTJYLFQBSFK-OEMAIJDKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-123123
CN(C(=O)c1nc(N2CC[C@H](C2)NC(c2nn3c(c2)CCC3)C)c(c(n1)C)C)C	PC-id_146112333,MCULE-3926669751,EMOLS-id_323999965	397.517	ZHZYQLYCDXUMIJ-OEMAIJDKSA-N	00000010100000100001100010000000000000000000000000000000	25-01-123124
C1(CCCC1)(Cc1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-2222658329,EMOLS-id_328166841	397.53	JXIPYRJRIWIXNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123125
C1(CCCCC1)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-6591987865,EMOLS-id_328219418	397.53	POCJBXCPPREEST-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123126
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_3562803,MCULE-8294840139	397.53	JWJQNTNIQLATNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123127
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc2CCCc12	ZINC22_5474000,PC-id_5861728,EMOLS-id_327836772	397.53	JWJQNTNIQLATNQ-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123128
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CCCCC1)SC	SCHEMBL10811581,PC-id_14570933	397.53	CSCBZTIZHMOXTF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123129
CSc1cc2n(c1C(=O)c1ccc(cc1)C1CCCCC1)CCC2(C)C(=O)O	PC-id_70449141,SCHEMBL10812156	397.53	MSNVMRCIJODCAW-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123130
CCOC(=O)c1c(NS(=O)(=O)c2ccc(SC)cc2)sc2c1CCC2	ZINC22_408615615	397.532	RGRANXKCWUHNNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123131
c1(c2CCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1ccc(cc1C)C	EMOLS-id_2785154,PC-id_3768871,MCULE-1900850765,CoCoCo_6723765,ZINC22_4554255	397.534	PINDNVKZQGPXRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123132
c1(c2CCCc2sc1NC(=O)CN1CCCCC1C)C(=O)Nc1ccccc1	MCULE-2395679335,PC-id_3720410,EMOLS-id_2785380,TIMTEC490374	397.534	UWSBJPMLYQFKPM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123133
c1(c2CCCc2sc1NC(=O)CN1CCC(CC1)C)C(=O)Nc1ccccc1	MCULE-3422260757,CoCoCo_6723991,TIMTEC163234,ZINC22_4554363,EMOLS-id_2785378,PC-id_3450639,CoCoCo_6723990	397.534	GBUNJGXKHZUXNU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123134
c1(c2CCCc2sc1NC(=O)CN1CCCCC1)C(=O)Nc1cccc(C)c1	EMOLS-id_2785850,CoCoCo_6724280,TIMTEC27703,MCULE-2485973765,PC-id_3466545,ZINC22_4554478	397.534	ACHNFYCAWNCDDB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123135
c1(c2CCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccccc1	MCULE-7378675417,CoCoCo_6723770,EMOLS-id_2785158,PC-id_5158660,TIMTEC453785,ZINC22_4554272	397.534	SNWQJPXDPSZCCB-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-123136
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC22_34895967,EMOLS-id_33334155,PC-id_9480431,CoCoCo_3876981	397.534	ZAMXYGZHSRYSBG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123137
Cc1cccc(NC(=O)CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1C	ZINC22_12925828,EMOLS-id_16732778,PC-id_17519316,CoCoCo_3874516,MCULE-2738231094	397.534	VFAPEVMXBITOAY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123138
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1	MCULE-5886242324,PC-id_9370122,CoCoCo_3877519,ZINC22_35380069,EMOLS-id_3695547	397.534	UUVAYLNZUNAIPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123139
CCC(c1ccccc1)NC(=O)c1c2n(CCS2)c(c1)C(=O)N1CCCC1C	PC-id_89733955	397.534	IBBNYQVPCFRLPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123140
CCC(c1ccccc1)NC(=O)c1cc(c2n1CSC2)C(=O)N1CCCC1C	PC-id_89733950	397.534	VMDCIKLYOZCYAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123141
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)c2CSCn12)c1ccccc1	BindingDB_PC-id_89733950,SCHEMBL15166091,BindingDB-id_382159	397.534	VMDCIKLYOZCYAW-MAUKXSAKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123142
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCSc12)c1ccccc1	BindingDB-id_382154,SCHEMBL15166096,BindingDB_PC-id_89733955	397.534	IBBNYQVPCFRLPB-MAUKXSAKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123143
CC(C)Oc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324903433	397.534	JKFACWUFFFURBF-RGEXLXHISA-N	00000000100010110001000010000000000000000000000000000000	25-01-123144
CCCOc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324906504	397.534	ATCHWYGUNOSXHV-CYVLTUHYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123145
C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2	CoCoCo_6723994,PC-id_7280652,CoCoCo_6723992,ZINC22_4554366	397.534	UWSBJPMLYQFKPM-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123146
C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2	CoCoCo_6723995,ZINC22_4554370,CoCoCo_6723993,PC-id_7280657	397.534	UWSBJPMLYQFKPM-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123147
C[C@@H](C1CC1)N(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1ccccc1	ZINC22_3362506,PC-id_2480058	397.534	PVKHDPAWZXCHNA-AWEZNQCLSA-N	00100010100000110000000010000000000000000000000000000000	25-01-123148
C[C@H](C1CC1)N(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1ccccc1	ZINC22_3362507	397.534	PVKHDPAWZXCHNA-CQSZACIVSA-N	00100010100000110000000010000000000000000000000000000000	25-01-123149
CN1CCN(CC1)C(=O)C(CC(=O)N1Cc2c(C1)csc2)Cc1ccccc1	SCHEMBL8397822,PC-id_67573718	397.534	UKKRNUQCZOQKDF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123150
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCC1CCCCC1	MCULE-1102811586	397.534	JKFACWUFFFURBF-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123151
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCC1CCCCC1	MCULE-8369244308	397.534	ATCHWYGUNOSXHV-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123152
O=C(N1CCN(CC1)Cc1ccccc1)CN(C(=O)c1sc2c(c1)CCC2)C	CoCoCo_3675260,PC-id_16381733	397.534	PLNFECKGUQAYCR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123153
O=C(Nc1ccc(cc1)C)NCC1CCCN(C1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_98000063	397.534	ISVSFJJNUYLXFL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123154
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN(C(C1CC1)C)Cc1ccccc1	EMOLS-id_45717544,MCULE-1601949567,PC-id_4375822	397.534	PVKHDPAWZXCHNA-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-123155
s1c2CCCc2c(c1NC(=O)CCN(Cc1cc(c(OC)c(c1)C)C)C)C#N	PC-id_56381831	397.534	HGFSFNZPKCJUMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123156
s1c2CCCc2c(c1NC(=O)CCN(C(c1cc(OC)ccc1)C)CC)C#N	PC-id_56524990	397.534	MPFMHQHDDCFUQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123157
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)Cc1ccccc1)C(=O)N	PC-id_8904617	397.534	ZUELSYBKWXAZFX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123158
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCC1CCCCC1	PC-id_16947631	397.534	QZVANZIOMLMTJU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123159
s1c2CCC(C(=O)NC3CCCCCC3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947530	397.534	ZNZMJDNMXXBUNR-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-123160
c1(snnc1C1CCCN(C1)C(=O)c1cc2c(CCC2)s1)S(=O)(=O)C	LMK-14222666,EMOLS-id_35981190,PC-id_110237174,MCULE-9325599255	397.535	YPHRYLCGRWNTAE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123161
CS(=O)(=O)c1snnc1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_92438764,ZINC22_12730279	397.535	YPHRYLCGRWNTAE-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123162
CS(=O)(=O)c1snnc1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1	PC-id_92438766,ZINC22_12730295	397.535	YPHRYLCGRWNTAE-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-123163
OCCNC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19536312	397.535	GTDQIOFNOSZRFF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-123164
O=C(Nc1nc2CCCc2s1)C1CCCCN1S(=O)(=O)c1cccs1	PC-id_16826366,MCULE-7337395873,EMOLS-id_12191834	397.535	LEJUKBFBDNVFQA-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-123165
O=C(Nc1nc2c(s1)CCC2)C1CCN(S(=O)(=O)c2cccs2)CC1	EMOLS-id_3630030,PC-id_9452648,CoCoCo_4164092,ZINC22_8327901,MCULE-7086400721	397.535	RPCCWWUORHKLRR-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-123166
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1	CoCoCo_5099194,PC-id_41662529,ZINC22_10784634	397.535	LEJUKBFBDNVFQA-LBPRGKRZSA-N	00000010100110000001000010000000000000000000000000000000	25-01-123167
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCCN1S(=O)(=O)c1cccs1	CoCoCo_5099195,PC-id_41662527,ZINC22_10784632	397.535	LEJUKBFBDNVFQA-GFCCVEGCSA-N	00000010100110000001000010000000000000000000000000000000	25-01-123168
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2CCCc2n1)c1sccc1	PC-id_16826137	397.535	CJLFLWLPATYOST-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-123169
S(=O)(=O)(N1C[C@H](CCC1)C(=O)Nc1sc2CCCc2n1)c1sccc1	PC-id_41647996	397.535	CJLFLWLPATYOST-NSHDSACASA-N	00000010100110000001000010000000000000000000000000000000	25-01-123170
S(=O)(=O)(N1C[C@@H](CCC1)C(=O)Nc1sc2CCCc2n1)c1sccc1	PC-id_41648001	397.535	CJLFLWLPATYOST-LLVKDONJSA-N	00000010100110000001000010000000000000000000000000000000	25-01-123171
S(=O)(=O)(NC1CC[NH+](CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)C	PC-id_32235503	397.535	UTBSIPBLAGZXBR-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-123172
c1(NC(=O)CSc2scc(c3ccccc3)n2)sc2c(CCC2)c1C#N	PC-id_7837066,EMOLS-id_324886038,MCULE-4691573715	397.537	HAKWRPWYISGIKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123173
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1sc(NCC)nn1)C)C(=O)N	PC-id_8351398	397.539	VMMQQGUHHHHUTN-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123174
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1sc(NCC)nn1)C)C(=O)N	PC-id_8351402	397.539	VMMQQGUHHHHUTN-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123175
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(C)C)nn1)C(=O)N	PC-id_2501610	397.539	KSGWWQQVPFWSKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123176
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCCC)nn1)C(=O)N	PC-id_8910458	397.539	LHTBTJCHBRKYDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123177
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NCC)nn1)C)C(=O)N	PC-id_78672611	397.539	VMMQQGUHHHHUTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123178
Brc1cc(Cl)c(NC2CCc3sc(Cl)cc23)c(Cl)c1	PC-id_81252478	397.545	BUMGPROWQAKGLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123179
Clc1sc2c(c1)C(CC2)Nc1ccc(c(c1Cl)Cl)Br	PC-id_107787647	397.545	DXYWBTSOOCCWTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123180
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)N2CCCCCC2)CC1	MCULE-6913393085,EMOLS-id_27399488,PC-id_31824851,ZINC22_24449071,CoCoCo_4747023	397.555	LSIKHVACMIIWNC-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-123181
Cc1sc(c2c1C(=O)N(C2=O)CCCCCCCCCCc1ccccc1)C	SCHEMBL16604963,PC-id_117982936	397.573	HYENTMWVRSWWDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123182
O=C(C1(CCCC1)c1cccs1)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109866	397.577	HCWLABIOBANBDY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-123183
CCOC(=O)c1cc2c(n1COCC[Si](C)(C)C)C(=Cc1ccccc1)CC2	PC-id_59180098,SCHEMBL1003071	397.583	JYANUMJKBHNNAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123184
CCOC(=O)c1cc2c(n1COCC[Si](C)(C)C)/C(=C/c1ccccc1)/CC2	SCHEMBL1003070	397.583	JYANUMJKBHNNAQ-XDJHFCHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123185
CCOC(=O)c1cc2c([nH]1)C(CC2)C(=Cc1ccccc1)OCC[Si](C)(C)C	PC-id_87186650,SCHEMBL1004247	397.583	HJDDCCMASXHVKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123186
Ic1c(Cl)n2C(C(C(O)(c2c1)C(=O)OC)C(=O)C)C	PC-id_78141193	397.593	MHQGRHGXXWJTKA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123187
Ic1c(Cl)n2[C@@H]([C@H]([C@@](O)(c2c1)C(=O)OC)C(=O)C)C	PC-id_71658165	397.593	MHQGRHGXXWJTKA-PAWACCKXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123188
n12c(=O)c(=Cc3ccc(N(=O)=O)s3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7095050290	397.645	ZLXVWPWLTADGDL-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-123189
[O-][N+](=O)c1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)s1	EMOLS-id_324913157	397.645	ZLXVWPWLTADGDL-HYXAFXHYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-123190
Clc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1cc(S(=O)(=O)OC)ccc1	PC-id_20405007,SCHEMBL11006889	397.83	LAOKSVNPRFUMJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123191
Clc1cc(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1F	PC-id_3616589	397.848	UNSMGUHRUJPROA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123192
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(F)c1	PC-id_7916044	397.848	HGIBDDNNHUIKAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123193
Cc1ccc(/C=C/c2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324916239	397.853	NICIWQSGKJERJW-LFXKSGLVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123194
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)C=Cc1ccc(cc1)C	MCULE-3252263273	397.853	NICIWQSGKJERJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123195
CCOc1ncc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1Cl	PC-id_86819587,ZINC22_170611400,EMOLS-id_49980132,MCULE-6072778616	397.858	VABJONIOOCSQOS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-123196
c1(NC(=O)COc2ccc(cc2)Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_5101581,CoCoCo_2666507,MCULE-8879910537,EMOLS-id_16383096	397.876	GJUZUIOMNQMDQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123197
Clc1ccc(c(c1)S(=O)(=O)N1Cc2c(C1)cnn2C)OCC1CCOC1	EMOLS-id_318022978	397.876	MVUAUMYRFCWBIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123198
Clc1cc(C(=O)Nc2n(nc3c2CS(=O)(=O)C3)C(C)(C)C)c(OC)cc1	MCULE-9348700586,EMOLS-id_28321844,CoCoCo_2666502,PC-id_3479274	397.876	VXDALWCHTKHBOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123199
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324872199	397.878	JYFGCJAJCZGBNZ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123200
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324871173	397.878	FCFGFKCECKHUCZ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123201
Cc1ccc(CCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324907524	397.878	CMQBYRJMZLPMSQ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123202
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)c1	EMOLS-id_324880396	397.878	PHBZIYFKVHMOFK-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123203
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)c1	EMOLS-id_324879370	397.878	MBNWXAMRLFVRIB-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123204
Cc1cccc(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)c1C	EMOLS-id_324874250	397.878	AYQDNVBZYGNCGD-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123205
Cc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)c1C	EMOLS-id_324877319	397.878	POCQDKOQJKPVGO-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123206
CCc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324885507	397.878	VZCDAUCYYGZCFB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123207
CCc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324843768	397.878	ULABUDGNIOPVOL-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123208
CCc1cccc(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)c1	EMOLS-id_324887560	397.878	YCTVRVQBTJWFJO-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123209
CCc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)c1	EMOLS-id_324886534	397.878	SZNNDHZNHAMJDA-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123210
CCc1ccc(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324882447	397.878	JIFSEQUMDJEEQX-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123211
CCc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_324885516	397.878	CCYWBKCBMSPYII-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123212
Clc1ccc(c2oc(CCC(=O)Nc3c(C#N)c4c(CCC4)s3)nc2)cc1	EMOLS-id_322838460,MCULE-2747842027	397.878	BFFLQOKXYIEHOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123213
Clc1ccccc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324852981	397.878	BRTUGWORODQEAV-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123214
Clc1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)c1cccnc1	CoCoCo_6383653,PC-id_5258413	397.878	ZIGJQOABPIRPMZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123215
Clc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324851955	397.878	ABLJSRUVTPLNON-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123216
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccccc2)cc1	PC-id_16947395	397.878	AGAIDVLRYHBBOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123217
Clc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)cc1	PC-id_16947088	397.878	IAKZMMJHRCULCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123218
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)ccc1	PC-id_16947087	397.878	BBZGMRBGXHUWCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123219
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCCOc1ccccc1	MCULE-4833600097	397.878	BRTUGWORODQEAV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123220
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1ccc(cc1)CC	MCULE-5826651851	397.878	JIFSEQUMDJEEQX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123221
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1cccc(C)c1C	MCULE-1732576415	397.878	AYQDNVBZYGNCGD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123222
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)COc1c(C)cccc1C	MCULE-4240490877	397.878	FCFGFKCECKHUCZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123223
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)COc1cccc(C)c1C	MCULE-4608430006	397.878	POCQDKOQJKPVGO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123224
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1cc(C)ccc1C	MCULE-6095350514	397.878	PHBZIYFKVHMOFK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123225
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1c(C)cccc1C	MCULE-7499553081	397.878	JYFGCJAJCZGBNZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123226
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1cccc(CC)c1	MCULE-7783491289	397.878	YCTVRVQBTJWFJO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123227
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)COc1ccccc1Cl	MCULE-8006193206	397.878	VZCDAUCYYGZCFB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123228
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)COc1ccc(Cl)cc1	MCULE-4110954461	397.878	ULABUDGNIOPVOL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123229
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)CCCOc1ccccc1	MCULE-4180895649	397.878	ABLJSRUVTPLNON-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123230
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1ccc(cc1)CC	MCULE-5132318331	397.878	CCYWBKCBMSPYII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123231
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1cc(C)ccc1C	MCULE-3907473788	397.878	MBNWXAMRLFVRIB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123232
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1cccc(CC)c1	MCULE-1868299069	397.878	SZNNDHZNHAMJDA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123233
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)CCc1ccc(cc1)C	MCULE-4244380152	397.878	CMQBYRJMZLPMSQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123234
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nnc3n2CCC3)c1	PC-id_24248020,EMOLS-id_17213466,CoCoCo_4560546,ZINC22_24979037,MCULE-3949917641	397.88	WRULNYVIDSDRQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123235
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NCCc1ccc(cc1)Cl)[O-]	PC-id_134797956	397.88	FMDZGHMZOUTNQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123236
Clc1cccc(c1)CCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109541	397.898	WQZMIWISUFQZTP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123237
Clc1ccc(cc1)C(=O)c1c(NC(=O)C[n+]2ccccc2)sc2c1CCC2	ZINC22_4889464,EMOLS-id_6627447,ASN-06262730,PC-id_3219000	397.898	KAHVLMLNLZHNKT-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-123238
c1(NC(=O)c2c(Cl)cnc(SCC)n2)sc2c(CCC2)c1C(=O)OC	MCULE-6584508447,EMOLS-id_2636898,CoCoCo_2210024,ChEMBL-DNDi_CHEMBLD054-0284,PC-id_16043836,TIMTEC170412,ZINC22_6810480	397.9	GJWJFKYJGOOJGI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-123239
c1(NC(=O)c2c(Cl)cnc(SC)n2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2522591,TIMTEC194895,PC-id_1258684,MCULE-1634943773,ZINC22_1070226,CoCoCo_575888	397.9	HLJCUGLUTAQBEO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-123240
COC1=C2C(=C(S1)OC)C(=O)/C(=C/I)/C2=C(C#N)C#N	PC-id_163541981	397.922	FBWWTCWKUNIDNM-XVNBXDOJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123241
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccc(Cl)s1	CoCoCo_4226124,CoCoCo_4226123,PC-id_40741488,ZINC22_8473857	397.943	LZGARXWSVODOIW-VIFPVBQESA-N	00000010100100000000000010000000000000000000000000000000	25-01-123242
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccc(Cl)s1	PC-id_40741491,CoCoCo_4226125,CoCoCo_4226126,ZINC22_8473859	397.943	LZGARXWSVODOIW-SECBINFHSA-N	00000010100100000000000010000000000000000000000000000000	25-01-123243
CCN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1ccc(Cl)s1	CoCoCo_3685985,CoCoCo_3685984,ZINC22_9516729,MCULE-2504009819,EMOLS-id_11816252,PC-id_16367267	397.943	SFXNKPSRCGQTQQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-123244
Clc1ccc(s1)CN(C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	EMOLS-id_11817696,MCULE-8485578161,PC-id_16368264	397.943	LZGARXWSVODOIW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-123245
[Se]1c2[se]c(=S)[se]c2[Se]C1	PC-id_11383948	397.964	RRTNTOWCAVAONM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123246
CO[C@H](C1=CC=CC=C1)C(=O)N2CC3=C(C2)NN=C3NI	PC-id_155202587	398.024	DAKICAVHTNLLNZ-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123247
Brc1cc(/C=C/2Cc3sc(cc3C2=O)C)ccc1Br	PC-id_59105810	398.112	CPTPSBAINRRGPM-BJMVGYQFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123248
Brc1cc(C=C2Cc3sc(cc3C2=O)C)ccc1Br	PC-id_72518231	398.112	CPTPSBAINRRGPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123249
CC1=NN2CCN(C2=C1)C(=O)CCC(=O)CC3=CC(=NO3)C4=CC(=CC=C4)Cl	PC-id_147530938	398.115	FNAFFILKPLTEQV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123250
CC1CCc2c1c(CBr)nn2Cc1ccc(Br)cc1C	EMOLS-id_331032322,MCULE-1528561172	398.136	AVCDSURDASMCNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123251
CC1CCc2c1c(CBr)nn2Cc1ccc(Br)c(C)c1	MCULE-7475088652,EMOLS-id_331032578	398.136	ACEFKFZTXNNWMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123252
CC1CCc2c1c(CBr)nn2Cc1cc(C)cc(Br)c1	EMOLS-id_331033858,MCULE-2410885721	398.136	BIPATIXSQWIRIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123253
CC1CCc2c1c(CBr)nn2Cc1ccc(C)c(Br)c1	MCULE-5490469865,EMOLS-id_331033602	398.136	RIMRUPVVTMDIDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123254
CC1CCc2c1c(CBr)nn2Cc1cccc(C)c1Br	MCULE-1263229613,EMOLS-id_331031811	398.136	WSBPEVOLYHWWPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123255
CC1CCc2c1c(CBr)nn2Cc1ccc(C)cc1Br	MCULE-3535533076,EMOLS-id_331031299	398.136	AMXUEFBHXOXHDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123256
CC1CCc2c1c(CBr)nn2Cc1cc(C)ccc1Br	MCULE-9916105193,EMOLS-id_331031555	398.136	UORDSVXWIPGTSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123257
CC1CCc2nn(Cc3ccc(Br)cc3C)c(CBr)c12	MCULE-6102296667,EMOLS-id_331011260	398.136	DSBZEKPHRMOIMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123258
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(CBr)c12	EMOLS-id_331011516,MCULE-9957465410	398.136	HVYYXCWDSWEJTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123259
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(CBr)c12	MCULE-5306696147,EMOLS-id_331012540	398.136	DZVWXULKBJDCGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123260
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(CBr)c12	MCULE-8955722958,EMOLS-id_331012796	398.136	WIULEMGFGZYXJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123261
CC1CCc2nn(Cc3ccc(C)cc3Br)c(CBr)c12	EMOLS-id_331010237,MCULE-7552706965	398.136	GWCCCRFEVQSGIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123262
CC1CCc2nn(Cc3cc(C)ccc3Br)c(CBr)c12	MCULE-5681228954,EMOLS-id_331010493	398.136	LSYBZXKOFYVFEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123263
CC1CCc2nn(Cc3cccc(C)c3Br)c(CBr)c12	MCULE-7644129203,EMOLS-id_331010749	398.136	VKNIYSFBARHVAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123264
CC(C)OCC(=O)NC1=C(SC2=C1CN(C2)C(=O)OC(C)(C)C)C(=O)OC	MCULE-7473596081,PC-id_154766977,EMOLS-id_257949087	398.151	AVKMEIVVAFDNDV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123265
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3(CC4=C(C3)NN=C4C(=O)O)O)C	PC-id_153600308	398.195	BXOSRXQXOMOHFN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123266
Ic1ccc(OCC(=O)NCc2n3CCCc3nn2)cc1	PC-id_52375683	398.199	GZNPRZPVTORHSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123267
c12sc(NC(=O)Cn3cc(I)cn3)c(C#N)c1CCC2	TIMTEC499961,MCULE-4131527426,PC-id_1512143,EMOLS-id_6818812,ZINC22_1432677	398.222	VHJGXVWWDUNEJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123268
c1(C#N)c2CCCc2sc1NC(=O)c1nn(cc1I)C	ZINC22_2771019,TIMTEC484372,PC-id_4768060,MCULE-7970533938,EMOLS-id_4076386	398.222	UPWHXHUGJLLHJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123269
c1(NC(=O)c2c(I)cnn2C)sc2c(CCC2)c1C#N	CoCoCo_6596519,TIMTEC394032,SPECS-id_AK-968/13034305,EMOLS-id_4076388,ZINC22_671680,PC-id_1011171,MCULE-5573180620	398.222	PZFXAVHVMQZJBV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123270
COCc1nc2s/c(=Cc3cc(Br)c(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324901379	398.232	ZEHDAQDOGNRPAD-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123271
n12nc(nc1sc(=Cc1cc(c(O)c(Br)c1)OC)c2=O)COC	MCULE-3865722160	398.232	ZEHDAQDOGNRPAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123272
COc1ccc(Cn2nc3CCC(C)c3c2I)cc1OC	EMOLS-id_330961589,MCULE-9959665958	398.239	YRWFPRXGHLWWOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123273
COc1ccc(Cn2nc3CCC(C)c3c2I)c(OC)c1	EMOLS-id_330961845,MCULE-7333685728	398.239	JBXMEBKBRVEAHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123274
COc1ccc(Cn2nc(I)c3C(C)CCc23)cc1OC	MCULE-8900907114,EMOLS-id_330977529	398.239	YSYZYVUXSJGHRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123275
COc1ccc(Cn2nc(I)c3C(C)CCc23)c(OC)c1	MCULE-5914061029,EMOLS-id_330977785	398.239	DOKBZDBZPDVPLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123276
Brc1cc(F)c(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_3872827	398.247	OZJRACRORDEZRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123277
CCCCCCCCOC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CN3CCC	PC-id_149251772	398.257	PVSGYRSHEKJTRE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-123278
CCCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=CN3CCC)CC	PC-id_148547537	398.257	JBSMEKXRTUYEGN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-123279
CCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=CN3CC)CCCC	PC-id_161180304	398.257	USIZHVYGCNRDCG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-123280
O=C1c2cccn2C[C@@H]1[C@@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1	CoCoCo_4397264,PC-id_41095934,ZINC22_9498944	398.273	SLQWGLLPAFHLQB-MJGOQNOKSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123281
O=C1c2cccn2C[C@@H]1[C@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1	PC-id_41095930,CoCoCo_4397266,ZINC22_9498936	398.273	SLQWGLLPAFHLQB-IEBWSBKVSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123282
O=C1c2cccn2C[C@H]1[C@@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1	PC-id_41095935,ZINC22_9498948,CoCoCo_4397263	398.273	SLQWGLLPAFHLQB-HKUYNNGSSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123283
O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1	ZINC22_9498941,CoCoCo_4397265,PC-id_41095932	398.273	SLQWGLLPAFHLQB-PKOBYXMFSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123284
O=C1c2cccn2C[C@@H]1[C@H](O)c1cc[n+](Cc2ccccc2Br)cc1	CoCoCo_4397276,ZINC22_8861949,PC-id_40847210	398.273	UOTFPEJJNZNBSL-VQIMIIECSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123285
O=C1c2cccn2C[C@@H]1[C@@H](O)c1cc[n+](Cc2ccccc2Br)cc1	PC-id_40847209,ZINC22_8861947,CoCoCo_4397275	398.273	UOTFPEJJNZNBSL-APWZRJJASA-N	00000010100000111000000010000000000000000000000000000000	25-01-123286
O=C1c2cccn2C[C@H]1[C@@H](O)c1cc[n+](Cc2ccccc2Br)cc1	ZINC22_8861943,CoCoCo_4397274,PC-id_40847206	398.273	UOTFPEJJNZNBSL-LPHOPBHVSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123287
O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](Cc2ccccc2Br)cc1	ZINC22_8861945,PC-id_40847208,CoCoCo_4397273	398.273	UOTFPEJJNZNBSL-QFBILLFUSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123288
OC(c1cc[n+](Cc2c(Br)cccc2)cc1)C1C(=O)c2n(ccc2)C1	MCULE-7681761403,PC-id_16348988	398.273	UOTFPEJJNZNBSL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123289
OC(c1cc[n+](Cc2ccc(Br)cc2)cc1)C1C(=O)c2n(ccc2)C1	MCULE-3998847761,PC-id_16314786	398.273	SLQWGLLPAFHLQB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-123290
c1(NC(=O)c2c(Br)cnn2CC)sc2c(CCC2)c1C(=O)OC	ZINC22_1137402,PC-id_1311001,CoCoCo_938477,CHEMBL1369785,TIMTEC594570,EMOLS-id_2216747,MCULE-5064672991	398.275	ZIXWTCDUSCPCSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123291
CC(c1cc(n(n1)C)C(=O)N1Cc2c(C1)c(c(s2)C(=O)O)Br)C	EMOLS-id_278913514	398.275	IVBLIAISYQEZMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123292
CS(=O)(=O)Nc1cccc(NC(=O)c2cc(Br)n3c2CCC3)c1	ZINC22_1875271335	398.275	MTYOWYBHGQJEMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123293
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)c1cnn(c1)C(C)(C)C	MCULE-8127245828,EMOLS-id_258101730	398.275	JETWMVOPZPFAMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123294
Brc1ccccc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324835575	398.276	FEJXPRMRINAFBI-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123295
Brc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324834037	398.276	IDMADDGLIAOUTQ-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123296
Brc1cccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_328099445	398.276	YUANFRTYUXBOOJ-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123297
Brc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_328096105	398.276	FFRCPQMHLFEWEL-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123298
C(=Cc1ccc(Br)cc1)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6117097748	398.276	FFRCPQMHLFEWEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123299
C(=Cc1cccc(Br)c1)(C#N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5105805907	398.276	YUANFRTYUXBOOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123300
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)Cc1ccccc1	MCULE-7452180602	398.276	IDMADDGLIAOUTQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123301
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)Cc1ccccc1	MCULE-6504791607	398.276	FVWUNXZSEMEQJJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123302
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)Cc1ccccc1	MCULE-3796366706	398.276	FEJXPRMRINAFBI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123303
c1(Cl)cc(ccc1Cl)CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-9151576789,EMOLS-id_327944202	398.303	AZVWCQYUBKXLFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123304
CSc1cccc(c1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330962111,MCULE-4249763454	398.305	ZDTPSRWGAVKQHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123305
CSc1ccc(cc1)C(C)n1nc2CCC(C)c2c1I	MCULE-3753110600,EMOLS-id_330964412	398.305	VTVBRAHKFIHLBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123306
Clc1ccc(cc1Cl)C1=CCN(CC1)S(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100241008	398.307	UUIDIYQCYDDTOP-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-123307
FC(F)(F)c1cc([N+](=O)[O-])c(NCCC(=O)NCc2n3CCCc3nn2)cc1	PC-id_52371134	398.34	OBJRIDJNLPFPHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123308
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)nc2c1C(=O)OC2	PC-id_20155917,SCHEMBL10652404	398.351	UISPUQVLQDXSMO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-123309
c12ccsc1C(=NOC(=O)c1cccc(OC)c1)CC2NC(=O)C(F)(F)F	PC-id_5100197,EMOLS-id_27483541,MCULE-8601596899	398.356	AKWPZSQPRJNJRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123310
COc1cccc(C(=O)O/N=C/C[C@@H](NC(=O)C(F)(F)F)c3ccsc23)c1	PC-id_5524277,ZINC22_33709730	398.356	AKWPZSQPRJNJRY-JEHRSMSHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123311
COc1cccc(C(=O)O/N=C/C[C@H](NC(=O)C(F)(F)F)c3ccsc23)c1	PC-id_5524278,ZINC22_33709729	398.356	AKWPZSQPRJNJRY-CJVAQADSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123312
COc1cccc(C(=O)O/N=C/2C[C@@H](NC(=O)C(F)(F)F)c3ccsc23)c1	ZINC22_1390620	398.356	AKWPZSQPRJNJRY-IHYLXSPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123313
COc1cccc(C(=O)O/N=C/2C[C@H](NC(=O)C(F)(F)F)c3ccsc23)c1	ZINC22_1390622	398.356	AKWPZSQPRJNJRY-GLXUHCQUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123314
COc1cccc(C(=O)ON=C2C[C@@H](NC(=O)C(F)(F)F)c3ccsc23)c1	ZINC22_252427630	398.356	AKWPZSQPRJNJRY-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123315
COc1cccc(C(=O)ON=C2C[C@H](NC(=O)C(F)(F)F)c3ccsc23)c1	ZINC22_252427631	398.356	AKWPZSQPRJNJRY-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123316
FC(F)(F)c1ccccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861320,MCULE-8015882994,EMOLS-id_31548338	398.378	NDIQUPAQWVVITO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123317
FC(F)(F)c1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	EMOLS-id_31548340,MCULE-8375709225,PC-id_46861321	398.378	ZVYJKFVVOUADHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123318
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F	PC-id_52340490,ZINC22_51364539	398.378	NDIQUPAQWVVITO-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123319
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccccc1C(F)(F)F	PC-id_52340491,ZINC22_51364540	398.378	NDIQUPAQWVVITO-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123320
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(C(F)(F)F)cc1	PC-id_52340492,ZINC22_51364541	398.378	ZVYJKFVVOUADHC-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123321
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(C(F)(F)F)cc1	PC-id_52340493,ZINC22_51364542	398.378	ZVYJKFVVOUADHC-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123322
CCCCCC(=O)[C@@](C1=Nc2n(C1=O)c(nn2)N)(C1=Nc2n(C1=O)c(nn2)N)C	NSC382756,PC-id_343342,CoCoCo_5636604,LI_194225	398.379	JPURCLAPQGRWPY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123323
CCCCCC(=O)C(C)(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O	PC-id_135441687	398.379	ZGFNHUALAFHJLK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123324
CCCCCC(=O)C(C)(c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O	PC-id_135441640	398.379	URQWREXQEHXFHN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123325
CCCCCC(=O)[C@@](C)(c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O	PC-id_136905694	398.379	URQWREXQEHXFHN-INIZCTEOSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123326
CCCCCC(=O)[C@](C)(c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O	PC-id_136905695	398.379	URQWREXQEHXFHN-MRXNPFEDSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123327
CCCCCC(=O)[C@@](C)(C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n12	ZINC22_19924419	398.379	QETSVAJRYMQKAN-INIZCTEOSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123328
CCCCCC(=O)[C@](C)(C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n12	ZINC22_19924421	398.379	QETSVAJRYMQKAN-MRXNPFEDSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123329
N1=C(n2c(C1=O)nnc2N)C(C)(C1=Nc2n(C1=O)c(N)nn2)C(=O)CCCCC	PC-id_3715043,SPECS-id_AT-225/NB55270,MCULE-3896643380	398.379	QETSVAJRYMQKAN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123330
O=C(c1nn2c(c1)OCC2)N1CCN(CC1)S(=O)(=O)c1c(F)cccc1F	EMOLS-id_99521957	398.384	FJYUZOAVCCFKOB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123331
c1(c2CCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)OCC	ZINC22_1081042,EMOLS-id_1936483,CoCoCo_5948840,MCULE-4066547877,PC-id_1268013	398.399	HRKHJDDHFCHNRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123332
s1c2CCCc2cc1C(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C	PC-id_9188604	398.399	WVUFOMGORNPKQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123333
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(COCC(F)(F)F)cc1	PC-id_24608322	398.399	TUXXJSPWXPLENY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123334
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C(F)(F)F)C(=O)OC	PC-id_24406490	398.399	OMXBHIHOBZYQJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123335
s1c2c(CCC2)c(c1NC(=O)CNc1c(F)c(F)c(F)cc1)C(=O)OCC	PC-id_41790483	398.399	UHEIFUWECMDRMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123336
c1(NC(=O)Cn2c(C3CC3)cc(C(F)(F)F)n2)sc2c(CCC2)c1C(=O)N	MCULE-3047860447,PC-id_4765760	398.403	IZTSBIXAEMDDSY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-123337
CC(c1ccc(cc1)OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL19518610	398.416	QFHZSSSMFAMLBE-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123338
CC(c1ccc(cc1)OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL19518611	398.416	QFHZSSSMFAMLBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123339
O=C(Nc1n[nH]c2c1C(CC(=O)O)N(C2)N)Cc1ccc(cc1)N1CCCC1=O	PC-id_142660364	398.416	WWOHPLCNUGIXBV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123340
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCc1cccc(F)c1	ZINC22_96146802,PC-id_97442329,EMOLS-id_44303578	398.426	RZYIQPDGSKPEGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123341
N#Cc1c(NC(=O)CCSc2nccc(C(F)(F)F)n2)sc2c1CCC2	ZINC22_68744487,MCULE-6130420451,PC-id_71899374,EMOLS-id_44522742	398.426	GVZRAMIYSGHBLU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-123342
O=C(N1C[C@@H]2[C@H](C1)C2NC(=O)c1nn2c(c1)CCC2)CCOc1ccccc1F	PC-id_146146289	398.431	SMPWTQKKNUNJCQ-DBIVSCPCSA-N	00100010100000110001010010000000000000000000000000000000	25-01-123343
O=C(N[C@H]1[C@@H]2CN(C(=O)CCOc3ccccc3F)C[C@H]12)c1cc2n(n1)CCC2	ZINC22_1875325673	398.431	SMPWTQKKNUNJCQ-QVDMIQRCSA-N	00100010100000110001010010000000000000000000000000000000	25-01-123344
c1(NC(=O)c2cc(on2)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	ZINC22_27749665,TIMTEC409018,PC-id_35133510,MCULE-6358301482,EMOLS-id_10114812,CoCoCo_2255507	398.432	QPYZYYSLUYNAPE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123345
s1c2c(CCC2)c(c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)OC	PC-id_4115967	398.432	BPTAKCXWXQFFCM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123346
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C#N)C(=O)OCC	PC-id_4388278	398.432	FACBKHNPLQTSAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123347
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(ccc1)C#N)C(=O)OCC	PC-id_8491105	398.432	JXNNFASQNRMFMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123348
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(O)cc1)C#N	PC-id_78748674	398.432	YQICVRXKURKBPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123349
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(O)cc1)C#N	PC-id_8663463	398.432	YQICVRXKURKBPH-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123350
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(cc1)C(=O)C)C#N	PC-id_8345962	398.432	YAHFTWUFZKFMBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123351
s1c2CCCc2c(c1NC(=O)COC(=O)COc1cc(ccc1)C(=O)C)C#N	PC-id_8526203	398.432	ROFNUTHGTRSYSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123352
c12SCCn1cc(CNC(=O)c1cc(on1)COc1ccc(cc1)C(=O)C)n2	CoCoCo_1183479,EMOLS-id_20437795,MCULE-3872032108,PC-id_42286118,ZINC22_11932879	398.436	SOEMZDCPXVWUSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123353
c1(NC(=O)c2cc(ccc2N2CCOCC2)N(=O)=O)sc2c(CCC2)c1C#N	STOCK5S-75659,TIMTEC407171,ZINC22_4739317,EMOLS-id_1809001,PC-id_2978776,CoCoCo_564686,MCULE-8103147772	398.436	QNXQPHIDFFFFMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123354
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCOCC2)sc2c(CCC2)c1C#N	ZINC22_5590432,EMOLS-id_6130416,TIMTEC316319,CoCoCo_6350538,MCULE-1210194428,SPECS-id_AN-153/I283761,PC-id_16476332	398.436	MQNIJNNPSZDLCD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123355
c1(NC(=O)COc2cccnc2NC(=O)OCC=C)sc2c(CCC2)c1C#N	MCULE-8082999524,EMOLS-id_321794343	398.436	SQAMBCUHLOTNDL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123356
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccccc1O	PC-id_141251778	398.436	RNAWZGWYVNCFJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123357
Cc1cccc(c1)S(=O)(=O)n1nc2c(c1NC(=O)c1ccccc1O)CNC2	PC-id_68442905,SCHEMBL2924663	398.436	OUMCSDJFPKCANZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123358
Cc1c(cnn1c1ccccc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	PC-id_89237663,SCHEMBL14056302	398.436	WYNCSSHGCGDQKH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123359
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1cccc(c1)c1ccnn1C	SCHEMBL14055695,PC-id_89237126	398.436	QKFQUMVLCAIIEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123360
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)c1ccnn1C	SCHEMBL14057650,PC-id_89238831	398.436	YTPOJYXMCXQKST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123361
CCOc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)Nc1onc2c1CSC2	PC-id_121050548	398.436	UCZUFIHFDGWXRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123362
CCOc1ccc(cc1)c1ncn(c(=O)c1)CC(=O)Nc1onc2c1CSC2	PC-id_121063837	398.436	ATILBPGBSNWFFT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123363
CS(=O)(=O)N1Cc2c(C1)n(nc2)NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_91096557	398.436	KZLUDQULJUHZGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123364
Oc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2924664,PC-id_68442906	398.436	TVEWGELIEWNRQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123365
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)C	PC-id_10135487,SCHEMBL2922556	398.436	KOGAGBVZKGFIBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123366
O=C(c1ccccc1O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68442140,SCHEMBL2922782	398.436	MBVBOIITVKQSRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123367
O=C(c1noc(c1)COc1ccc(cc1)C(=C)O)NCc1cn2c(n1)SCC2	CoCoCo_1183480	398.436	XXZNZCJGISDMCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123368
O=C(NS(=O)(=O)c1cnc2n1CCC2)c1cccc(OCc2cccnc2)c1	MCULE-2762003749,ZINC22_170609397,EMOLS-id_50570965,PC-id_99793827	398.436	ZYVWQQBAIGOJRI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-123369
S1Cc2c(noc2NC(=O)C(n2nc(c3ccc(OC)cc3)ccc2=O)C)C1	PC-id_49705099	398.436	LERQRTWUYJMUMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123370
c1(C(=O)Nc2sc3c(C(CC3)C(=O)OCC)n2)nnn(c2ccc(cc2)C)n1	PC-id_71791353,MCULE-3597135200,EMOLS-id_43493343	398.439	KRJJPSRWTWRQHY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123371
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4CCCc34)cc2)n1	EMOLS-id_335125683,MCULE-4407615492	398.439	CZNMLAUBHKBHIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123372
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3nnn(c4ccc(C)cc4)n3)nc12	ZINC22_77100300,PC-id_96349388	398.439	KRJJPSRWTWRQHY-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123373
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3nnn(c4ccc(C)cc4)n3)nc12	ZINC22_77100301,PC-id_96349389	398.439	KRJJPSRWTWRQHY-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123374
COc1cccc(c2nnn(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)n2)c1	EMOLS-id_43929102,ZINC22_5676344,CoCoCo_3951321,PC-id_4986698,MCULE-4354816549	398.439	VLPDAVTZYXUYPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123375
COC(=O)c1c(NC(=O)CNc2ccc(n3cnnn3)cc2)sc2c1CCC2	PC-id_37228415,CoCoCo_3687125,ZINC22_29940714,MCULE-7478843834,EMOLS-id_29957683	398.439	WFVGSPGYSYMMER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123376
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCN(CC2)Cc2cccs2)n1	EMOLS-id_8867365,MCULE-9276797185,ZINC22_20607509,PC-id_19590936,TIMTEC120185	398.446	DFQQJDULSGPSMI-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-123377
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(OC(F)F)cc1)C(=O)OC	PC-id_8660200	398.447	KFVCBSVHBXMGPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123378
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC(F)F)cccc1)C(=O)OC	PC-id_20172183	398.447	SSSVTXLMUNINJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123379
c1(NC(=O)Cc2ccccc2F)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339759,MCULE-3316924254	398.451	GJLYLTJWQSREHI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-123380
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2257963403,EMOLS-id_334339492	398.451	MFVZMMUONYIRBH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-123381
CCOC(=O)c1c(C)c(n2c1C(CC2)C(=O)OCC)C(=O)c1ccc2n1CCC2	SCHEMBL10993105,PC-id_13490406	398.452	KXIUJZMGGFPBPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123382
COC(=O)CN(C(C)C(=O)OC)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1943431693,EMOLS-id_328338333	398.452	CRKFPFXWTONLQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123383
O=CNCC(OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)O)(C)C	SCHEMBL17361247,PC-id_118597469	398.452	PXUJRRHUIZOUCM-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123384
COC(=O)c1c(NC(=O)COC(=O)CN2CSCC2=O)sc2c1CCC2	EMOLS-id_19388138,ZINC22_21370616,MCULE-9465024329,CoCoCo_3087935,PC-id_24372865	398.454	JACYBAAPKQHPNC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123385
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1cccs1	PC-id_68439503,SCHEMBL2915171	398.454	WRLVNJCUDLSWPR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-123386
O=C(N1Cc2c(C1(C)C)n[nH]c2NC(=O)c1ccccc1F)Cc1cccs1	SCHEMBL4477599,PC-id_69058278	398.454	UYCJNLRKOFUEOG-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-123387
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)C2(c3ccc(cc3)OC)CC2)n1	MCULE-5625099832	398.456	PQDIXFVGNMERMM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-123388
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)C2(c3ccc(cc3)OC)CC2)n1	EMOLS-id_316335412,MCULE-8554893528	398.456	PQDIXFVGNMERMM-HNNXBMFYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-123389
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)OCC=Cc1ccccc1	SCHEMBL5541308,PC-id_87852153	398.456	FEKIOIALJHYDLS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123390
CC=C(c1ccccc1)OC1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C	PC-id_87852151	398.456	WQSCZIMWIBCMBL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123391
CC=C(c1ccccc1)OC1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5541305,PC-id_69481124	398.456	WQSCZIMWIBCMBL-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123392
CCC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)C)CN(C2)C(=O)OC(C)(C)C	PC-id_141417087	398.456	URYRAFRBELJUCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123393
CCC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)C	PC-id_141417093	398.456	VTZRUUZQGQGWIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123394
CCC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)Cc1ccccc1	PC-id_141257365	398.456	BESABQRJDNFQQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123395
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(COC(C)C)cc1)C#N	PC-id_8985621	398.475	NDDNBPHJTMOCHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123435
COc1ccccc1CC(=O)N[C@@H]1CN(CC[C@H]1O)C(=O)c1n[nH]c2CCCc12	EMOLS-id_324166437,PC-id_154569371,ZINC22_1857700323	398.456	SWAYAKOFIRRUNT-IAGOWNOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123396
O1[C@@](CN2CCC(OCC=Cc3ccccc3)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481123	398.456	FEKIOIALJHYDLS-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123397
O1[C@@](CN2CCC(OC/C=C/c3ccccc3)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5541301,PC-id_69481122	398.456	FEKIOIALJHYDLS-FERLCFGISA-N	00000010100010110001000010000000000000000000000000000000	25-01-123398
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)CC)c1ccc(cc1)C	PC-id_141257326	398.456	SQGBAAPTAJBUKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123399
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C(C)C)c1ccccc1	PC-id_141257367	398.456	ZVTUMQQTFFSYJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123400
O(C(=O)N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)C(C)C)C(C)(C)C	PC-id_71477105	398.456	KOEIAGOYUOHUNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123401
CC[N+]1(c2c(C(=N1)NC(=O)NCCCN(C)C)sc(c2)C(=O)OC)C(=O)O	PC-id_91055767	398.457	AZJBFOAOKTZTKA-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-123402
COc1ccc(/C=N/c2c(C#N)c3n(c2C(=O)Nc2ccc(C)cc2)CCC3)cc1	CHEMBL574243,PC-id_45112438	398.457	RILGKXMOHNBIGT-CVKSISIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123403
Cc1ccc(CCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324910082	398.459	YKJNNAZMKAUHFO-UVTDQMKNSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123404
CCOC(=O)n1nc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)c2CNCc12	EMOLS-id_30497228,ZINC22_44138102,SCHEMBL5449603,MCULE-7034198557,PC-id_11454224	398.459	KLRUJKXTUJSKCG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123405
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)O	PC-id_68661059,SCHEMBL3485502	398.459	AEDKWJYGLZUMHI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123406
Cn1cnc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2C(=O)N2CCOCC2)c1	MCULE-2763304090,ZINC22_1775988012,EMOLS-id_316977479	398.459	PGYZKNDFJSZDKC-HUUCEWRRSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123407
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCc1ccc(cc1)C	MCULE-5351213771	398.459	YKJNNAZMKAUHFO-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123408
O=C(N(Cc1n2CCCc2nn1)C)c1cc([N+](=O)[O-])c(N2CCCCCC2)cc1	PC-id_18552361	398.459	UHHQWAQFSDJTEI-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-123409
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C#N	PC-id_17187262	398.459	SQHATOLKPJUZFX-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123410
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C#N	PC-id_73372860	398.459	SQHATOLKPJUZFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123411
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C#N	PC-id_17176305	398.459	KSXDBJIUUMPFOZ-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123412
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C#N	PC-id_73372078	398.459	KSXDBJIUUMPFOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123413
O=C(NCc1n2CCCc2nn1)c1c(nn(c1)Cc1ccccc1)c1ccccc1	PC-id_52371129	398.46	FPCLAIIVNWIPMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123414
N#Cc1c(NC(=O)CSc2nnnn2c2ccc(O)cc2)sc2c1CCC2	EMOLS-id_11772639,ZINC22_8157078,MCULE-2866456797,PC-id_9292494,CoCoCo_3127141	398.462	SATBWCBGNLOHDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123415
O(/C(=C
/C(=N[N-]C1=NN=C1C(=Nn2c1nnc2C)C(C)(C)C)C(C)(C)C)/[O-])CC	PC-id_59247789	398.462	ZTXBOZPBFKWZCI-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-123416
O=C(C1C(C1(C)C)(C)C)Nc1sc2c(c1C(=O)N1CC(C1)(F)F)C(OC2)C	SCHEMBL2162596,PC-id_24772344	398.467	SSDKNZOPYGQOJX-UHFFFAOYSA-N	00101010100000000000000010000000000000000000000000000000	25-01-123417
N#Cc1c(NC(=O)CCN2CCN(CC2)CC(CO)(F)F)sc2c1CCC2	EMOLS-id_319078604	398.471	JSSAEYJSNBLTEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123418
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CCC(=O)NCc2ccccc2F)C1	PC-id_45204487,EMOLS-id_20548185,MCULE-3511878450	398.474	IOPAFDUVZADBMV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123419
COCC(C(=O)Nc1c(sc2c1CN(C2)C(=O)OC(C)(C)C)C(=O)OC)C	EMOLS-id_317730732,MCULE-4200262317	398.474	BFFIRADNAMLLRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123420
O=C(CC[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1)NCc1ccccc1F	CoCoCo_1340851,PC-id_25286454,ZINC22_12446166,CoCoCo_1340853	398.474	IOPAFDUVZADBMV-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123421
O=C(CC[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1)NCc1ccccc1F	CoCoCo_1340852,CoCoCo_1340854,ZINC22_12446169,PC-id_25286455	398.474	IOPAFDUVZADBMV-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123422
CCOC(=O)c1c(NC(=O)/C=CC(=O)NCc2ccccc2)sc2CCCc12	EMOLS-id_328258200	398.475	TYXCLJBQYMQMHZ-QXMHVHEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123423
COc1ccc(cc1)Cc1c(Cc2ccc(cc2)OC)nc2n1CCS2(=O)=O	PC-id_57226396,SCHEMBL11372928	398.475	QFVJUHXOMWBSNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123424
COC(=O)c1c(NC(=O)c2ccc(cc2)N2CCCCC2=O)sc2c1CCC2	MCULE-2115686678,EMOLS-id_48208147	398.475	RICCNPIXBYUNMI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123425
C(=O)(NCc1ccccc1)C=CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8528985044	398.475	TYXCLJBQYMQMHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123426
N1(C[C@H]([C@@H](CC(=O)N)C1)OC(=O)c1ccccc1)C(=O)c1cc2c(CCC2)s1	LAS-73525957,EMOLS-id_172013807,ZINC22_643586917,MCULE-1741009114	398.475	KSQOYZKBEALHIB-JKSUJKDBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123427
O=C(c1ccc(cc1)NC(=O)c1sc2c(c1)CCC2)N1CCC(CC1)C(=O)O	EMOLS-id_52295587,MCULE-9008833312,PC-id_119250481	398.475	VWFGLNIPEKEIGW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123428
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1)C(=O)N1CCCCC1C(=O)O	PC-id_119243438,EMOLS-id_52260571,MCULE-5575764233	398.475	YMJIYJKONIUTLI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123429
s1c2CCCc2cc1C(=O)OCC(=O)N(CCC#N)c1ccc(OCC)cc1	PC-id_16505616	398.475	PQXRXYPSEYHPOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123430
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/c1ccc(cc1)C)C)C(=O)N	PC-id_8740479	398.475	BARSGLHYFRYEBM-NHAQELONSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123431
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/c1ccc(cc1)C)C)C(=O)N	PC-id_8740480	398.475	BARSGLHYFRYEBM-OCHBPSSRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123432
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/c1c(cccc1)C)C)C(=O)N	PC-id_8936958	398.475	GCOKHWMYQQMFJP-NHAQELONSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123433
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/c1c(cccc1)C)C)C(=O)N	PC-id_8936966	398.475	GCOKHWMYQQMFJP-OCHBPSSRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123434
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OCC(C)C)cc1)C#N	PC-id_7194197	398.475	ASKFKLHLODGUAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123436
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OCCCC)cc1)C#N	PC-id_8863186	398.475	DHYBXUJPJFXMFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123437
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OCC(C)C)ccc1)C#N	PC-id_8392526	398.475	NEJVQWJIGLANJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123438
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1ccc(cc1)C)C)C(=O)N	PC-id_84826921	398.475	BARSGLHYFRYEBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123439
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1c(cccc1)C)C)C(=O)N	PC-id_84876524	398.475	GCOKHWMYQQMFJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123440
s1c2CCCc2c(c1NC(=O)COC(=O)CCCOc1ccc(cc1)C)C#N	PC-id_7147741	398.475	RCZUPLWYWVMPJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123441
s1c2CCCc2c(c1NC(=O)COC(=O)CCCOc1cc(ccc1)C)C#N	PC-id_7148029	398.475	HJQDCWGPVNUUCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123442
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(cc(cc1C)C)C)C#N	PC-id_7997491	398.475	BHEOYFZVZZBQCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123443
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(C(C)C)cc1)C#N	PC-id_8598057	398.475	FYWQQFUPQOWVSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123444
CSc1ncc(C(=O)Nc2sc3c(c2C#N)CCC3)n1c1ccc(F)cc1	EMOLS-id_48766978,PC-id_75412746,ZINC22_95947830,MCULE-9991822956	398.477	CKSWCJVJRNRJAS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123445
c1(NC(=O)c2ccc(cc2)N2C(=O)CCC2=O)c2CSCc2nn1C(C)(C)C	MCULE-5697851294,CoCoCo_4972699,ZINC22_4077259,PC-id_5121653,EMOLS-id_5426323	398.479	SHFOMDJGUGCBQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123446
c1(NC(=O)COc2cccnc2NC(=O)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-4078336125,EMOLS-id_321803642	398.479	CGVAVPCZALDYCM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123447
c1(NC(=O)COc2cccnc2NC(=O)CC(C)C)sc2c(CCC2)c1C#N	MCULE-4398395020,EMOLS-id_321804410	398.479	PQSPNFOACASEIN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123448
c1(NC(=O)COc2cccnc2NC(=O)CCCC)sc2c(CCC2)c1C#N	MCULE-9418665786,EMOLS-id_321803130	398.479	ZWVZIYATKFZBCX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123449
CC(N1C(=O)NC(CCC(=O)Nc2nc3CCCc3s2)C1=O)c1ccccc1	EMOLS-id_323472000,MCULE-1320958410	398.479	PRVWQNLJDNBENN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123450
COc1ccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_3541547,MCULE-7352634984,CoCoCo_3587303,PC-id_2658392,EMOLS-id_3465634,ChEMBL-DNDi_CHEMBL1592662,CoCoCo_3587304	398.479	NMGQBOQYGZYAOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123451
COCCN(Cc1cccs1)C(=O)c1cc2C[C@@H](Cn2n1)Oc1ccncc1	MCULE-6406202159,EMOLS-id_316322111	398.479	DBCHOILYBHVGHE-KRWDZBQOSA-N	00000010100100101001000010000000000000000000000000000000	25-01-123452
COCCN(C(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)Cc1cccs1	MCULE-5891962469	398.479	DBCHOILYBHVGHE-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-123453
N1(CCc2ccccc2)C(=O)[C@@H](NC1=O)CCC(=O)Nc1sc2c(CCC2)n1	MCULE-3663880990,ZINC22_170625633,EMOLS-id_50232214,STOCK7S-50683	398.479	IEDABWXOZMYBHP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123454
N1(CCc2ccccc2)C(=O)C(NC1=O)CCC(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323882733,MCULE-4057177026,PC-id_91640732,EMOLS-id_301193650	398.479	IEDABWXOZMYBHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123455
O=C(C1CCN(CC1)C(=O)c1cccnc1)NNC(=O)c1sc2c(c1)CCC2	PC-id_37003548,CoCoCo_4806392,MCULE-9003303976,EMOLS-id_44089030	398.479	JAXAERUDNDNUCX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-123456
O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nc2c(s1)CCC2	ZINC22_252536323	398.479	IEDABWXOZMYBHP-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-123457
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1occc1)C#N	PC-id_37376184	398.479	GBDMSZPCNAZAIG-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-123458
s1c2CCCc2c(c1NC(=O)CCN(C(c1cc([N+](=O)[O-])ccc1)C)C)C#N	PC-id_55482759	398.479	TYSTWGHZWZDBEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123459
s1c2CCCc2c(c1NC(=O)CN(CCC(=O)N)c1ccc(OC)cc1)C#N	PC-id_24533714	398.479	AZNWYUVZSRFEAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123460
s1c2CCCc2c(c1NC(=O)CN(CC(=O)Nc1cc(OC)ccc1)C)C#N	PC-id_8110738	398.479	DRHLYKYZGKGIRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123461
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)C(=O)C	PC-id_16947146	398.479	DXCAGOACKHHCLG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123462
s1c2CCC(C(=O)N3CCC(CC3)C(=O)N)c2nc1NC(=O)c1ccccc1	PC-id_16947164	398.479	JTTXMFYUONUOJO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123463
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-4794399929	398.48	NTBRGWBWMUTFQQ-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-123464
O=c1n2nc(CC(c3ccccc3)c3ccccc3)nc2s/c/1=Cc1ccc[nH]1	EMOLS-id_324830968	398.48	NTBRGWBWMUTFQQ-ZHZULCJRSA-N	00000000110000110001000010000000000000000000000000000000	25-01-123465
O=C(N1CCCC(C1)S(=O)(=O)N1CCOCC1)NCc1nnc2n1CCC2	EMOLS-id_99082189,MCULE-7732718403	398.48	FQEPMRQPGGXJKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123466
O=S(=O)([C@@H]1CCCN(/C(=N/Cc2nnc3n2CCC3)/O)C1)N1CCOCC1	ZINC22_329521141	398.48	FQEPMRQPGGXJKK-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123467
O=S(=O)([C@H]1CCCN(/C(=N/Cc2nnc3n2CCC3)/O)C1)N1CCOCC1	ZINC22_329521143	398.48	FQEPMRQPGGXJKK-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123468
c1(NC(=O)CN2CCN(CC2)c2nc(C)cc(=O)[nH]2)sc2c(CCC2)c1C#N	MCULE-7751985827,EMOLS-id_322525026	398.482	BIXUOFKKMZWVNM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-123469
CC(c1onc(n1)c1cccs1)N1CCN(CC1)C(=O)c1cnn2c1CCC2	MCULE-5693593096,EMOLS-id_316145711	398.482	VBGBCVFTUOOACO-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-123470
CC(c1onc(n1)c1cccs1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_139000440,MCULE-5939366316,EMOLS-id_320401672	398.482	ZHIARVGEQPYDKV-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-123471
C[C@H](c1nc(c2cccs2)no1)N1CCN(C(=O)c2cnn3c2CCC3)CC1	ZINC22_294995643	398.482	VBGBCVFTUOOACO-CYBMUJFWSA-N	00000010100110000001100010000000000000000000000000000000	25-01-123472
C[C@@H](c1nc(c2cccs2)no1)N1CCN(C(=O)c2cnn3c2CCC3)CC1	ZINC22_294995648	398.482	VBGBCVFTUOOACO-ZDUSSCGKSA-N	00000010100110000001100010000000000000000000000000000000	25-01-123473
C[C@@H](c1nc(c2cccs2)no1)N1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_112678514	398.482	ZHIARVGEQPYDKV-LBPRGKRZSA-N	00000010100110000001100010000000000000000000000000000000	25-01-123474
C[C@H](c1nc(c2cccs2)no1)N1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_112678516	398.482	ZHIARVGEQPYDKV-GFCCVEGCSA-N	00000010100110000001100010000000000000000000000000000000	25-01-123475
N#Cc1c(NC(=O)C(N2CCN(C(=O)C2)c2cnn(c2)C)C)sc2c1CCC2	EMOLS-id_100643873	398.482	GGXIVNZDNVWRMR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123476
O=C(c1sc(nc1C)c1c(C)c(C)nn(c1=O)C)Nc1n(C)nc2c1CCC2	EMOLS-id_98809984	398.482	QPUVZKWDGYFZHX-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-123477
c1(NC(=O)CS(=O)CC(=O)OCCOCCC)sc2c(CCC2)c1C#N	MCULE-3164812089,EMOLS-id_320676971	398.497	OEPLMWSVTLWEPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123478
CCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1cc(C)c(c(c1)C)F	SCHEMBL15002216,PC-id_89608126	398.497	MNFCFURDHMUCGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123479
CCCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(c(c1)C)F	PC-id_89607894,SCHEMBL15001977	398.497	QZVQATWFLUPDIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123480
COCCNC(=O)C[N@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	GD-id_ZINC29147808	398.497	QOPOFVJHVUXURU-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-123481
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CC=C(CC1)c1ccccc1O	MCULE-9384311076,EMOLS-id_328342161	398.497	FYSIWERJYMUBHA-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-123482
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC(=O)OCCC)C(=O)OC	PC-id_4933507	398.497	OHBIKLHPWVWOPR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123483
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1OC	MCULE-5626683692,EMOLS-id_2362619,CoCoCo_665837,PC-id_1350645,ZINC22_1188546	398.499	YBZXFMREPUOQBI-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-123484
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)OC	ZINC22_1081037,EMOLS-id_1231123,PC-id_1268008,MCULE-1198466736,CoCoCo_81826,BAS-00487071	398.499	CLGXZMGJXKJEBD-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-123485
c1(CN(C2CCCC2)C(=O)Nc2cccc(OC)c2OC)c2CCCc2n(C)n1	EMOLS-id_50145362,MCULE-8885784387,PC-id_86266598	398.499	WHLKFGFOXUVRKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123486
c1(NC(=O)c2c(C)nc(c3ccccc3)s2)sc2c(CCC2)c1C(=O)OC	MCULE-1799200328,ZINC22_28540196,EMOLS-id_17282872,CoCoCo_6604727,PC-id_16644337	398.499	KCFKHCKHVBIWBQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123487
c1(NC(=O)C=Cc2cccs2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1402905332	398.499	JGOZWZVSRXPIBX-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-123488
Cc1cc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)no1	CoCoCo_3729364,ZINC22_3180355,EMOLS-id_48966999,PC-id_2315039,MCULE-9991985353	398.499	UKHPHCANFFQLKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123489
CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc3c(s2)CCC3)cs1	EMOLS-id_13787423,MCULE-3062347730,CoCoCo_2840717,ZINC22_5307981,PC-id_7623509	398.499	QHVGHXPPPGHBOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123490
COc1cc(ccc1OC)NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109976	398.499	LBBUROUOZOPRCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123491
COc1cc(OC)ccc1NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109980	398.499	GDUZPHWOJXUHMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123492
O=C(Nc1sc2CCCc2c1C(=O)NCc1ccco1)/C=C/c1cccs1	EMOLS-id_334338988	398.499	JGOZWZVSRXPIBX-CMDGGOBGSA-N	00000010101100000000000010000000000000000000000000000000	25-01-123493
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1scc(n1)c1ccccc1)C	PC-id_4217667	398.499	APVYLTDJRLHSKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123494
s1c2CCCc2cc1C(=O)OCC(=O)Nc1scc(n1)c1ccc(cc1)C	PC-id_7238751	398.499	POLADXZAWCTQAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123495
CCN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)cnn2C)CC	EMOLS-id_316620346	398.5	OZBJYYUOBAKBGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123496
s1c2c(CCC2)c(c1NC(=O)CSC1NC(N)CC(=O)N1)C(=O)OCC	PC-id_78245551	398.5	OMPZFRFFGILOKW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123497
c1(c2CCCc2[nH]n1)C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1	EMOLS-id_330449419,ZINC22_1857719908,MCULE-8320579035	398.502	XDDMWPRQWZVWDD-ICSRJNTNSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123498
c1(C(=O)NCCCN2CCN(CC2)CC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316324159,MCULE-2396914420	398.502	BGNBIOWKWVXUTF-IBGZPJMESA-N	00000010100010101001000010000000000000000000000000000000	25-01-123499
c1(C(=O)NCCCN2CCN(CC2)CC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-9222366783	398.502	BGNBIOWKWVXUTF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123500
c1(NC(=O)c2cccs2)c2CSCc2nn1CC(=O)NCc1ccccc1	CoCoCo_5277748,ZINC22_23139460,MCULE-2752053728,PC-id_30862707,EMOLS-id_24913511	398.502	LUGHZGIXBXJZON-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-123501
c1(NC(=O)c2csnn2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_2647489,CoCoCo_2249735,PC-id_16454101,TIMTEC279691,MCULE-6519071882,ZINC22_9250832	398.502	LBOBNZLVHOMKLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123502
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3)SC)n2)/sc2c(CCC2)[nH]1	ZINC22_61718532,EMOLS-id_46561271,EMOLS-id_35784509,PC-id_52898730,MCULE-3866317225,STOCK7S-12709	398.502	RSTIDSUGIPWDIM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123503
CCCCNC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_68441153,SCHEMBL2920027	398.502	ZZXMPJKZFMGQGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123504
C[C@H](NC1(CNC(=O)NCc2nnc3n2CCC3)CCOCC1)c1ccccc1	ZINC22_502932058	398.502	WNOHRVBJIJJCJD-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123505
C[C@@H](NC1(CNC(=O)NCc2nnc3n2CCC3)CCOCC1)c1ccccc1	ZINC22_502932060	398.502	WNOHRVBJIJJCJD-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123506
CCNC(=NCc1ccc(cc1OC1CCOC1)C)NCc1nnc2n1CCC2	PC-id_109743243	398.502	OOFYUYRJGUSMBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123507
CCNC(=O)Nn1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(cc1)C(C)(C)C	SCHEMBL2919543,PC-id_68440981	398.502	UVFQZRSAWOAJJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123508
CN=C(NCc1nnc2n1CCC2)NCc1cccc(c1OC1CCCC1)OC	PC-id_111564008	398.502	WOLRHFNZAONUMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123509
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OCC1CCCO1)C	PC-id_109708853	398.502	IAYWJAVYPRQTGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123510
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OCC1COCC1)C	PC-id_109603104	398.502	LXGIQVZOBDRSKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123511
NC(=O)c1c(NC(=O)CSc2nc(c3ccccc3)c[nH]2)sc2c1CCC2	EMOLS-id_18829379,CoCoCo_4688420,ZINC22_12758715,MCULE-1859528148,PC-id_25489021,CoCoCo_4688419	398.502	WRHVXTZMBHNUPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123512
O=C(NCc1nnc2n1CCC2)NCC1(CCOCC1)NC(c1ccccc1)C	PC-id_146131710	398.502	WNOHRVBJIJJCJD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123513
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1scc(n1)C	PC-id_16947610	398.502	ZUHGLYCODXLKIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123514
CC(NC(=O)NC(c1nnc2n1CCC2)C)CN1CCN(CC1)c1ccccn1	EMOLS-id_99360874	398.505	KWBYQOFJPVDPGA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-123515
CCC/C(=Cc1c(C=C)nc2n1CC(O2)COC1=CC=C(CC=C1)C(C)(C)C)/F	PC-id_143895099	398.514	GGUITAAJPRASHJ-NBVRZTHBSA-N	00000010100000000111000010000000000000000000000000000000	25-01-123516
c1(c2CCCc2sc1NC(=O)C1CCCCC1)C(=O)Nc1ccc(cc1)OC	MCULE-8312329750,EMOLS-id_2474673,PC-id_2213781,CoCoCo_1006511,ZINC22_2860609	398.518	WGWXVMIFGMLBNG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123517
c1(NC(=O)c2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4333164566,EMOLS-id_334338976	398.518	CSPPVWDSCLCTPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123518
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335147,MCULE-9241788082	398.518	FHFUOAYUVAQCBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123519
c1(NC(=O)c2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332075,MCULE-1458170805	398.518	KOHPBEURRKPJEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123520
c1(NC(=O)Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334637,MCULE-1252542389	398.518	GTDRNAIPQNDSHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123521
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3924973777	398.518	FMAKNGJYJZDRLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123522
c1(NC(=O)C(C)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334381,MCULE-7173292890	398.518	QMIPNXZCZPPUKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123523
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335659,MCULE-6378830643	398.518	GQJCLMXGVDAUPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123524
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2CCCc12	EMOLS-id_334388757	398.518	FMAKNGJYJZDRLZ-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123525
NC(=O)c1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCC2	ZINC22_6883116,PC-id_4503983	398.518	IULHLBKWURDJIF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123526
OCC1(CCCN(C1)C(=O)CNC(=O)c1sc2c(c1)CCC2)c1ccccc1	MCULE-6280620616,EMOLS-id_177201092	398.518	SAESTXWXLWAIJO-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123527
O=C(NCC(=O)N1CCC[C@@](CO)(c2ccccc2)C1)c1cc2c(s1)CCC2	ZINC22_585080135	398.518	SAESTXWXLWAIJO-JOCHJYFZSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123528
O=C(NCC(=O)N1CCC[C@](CO)(c2ccccc2)C1)c1cc2c(s1)CCC2	ZINC22_585080136	398.518	SAESTXWXLWAIJO-QFIPXVFZSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123529
s1c2CCCc2cc1C(=O)OC(C(=O)N1CCN(CC1)Cc1ccccc1)C	PC-id_46548111	398.518	NREMJCVXCIMUHR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123530
COCCOCCC1C(NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_21735849,SCHEMBL9651667	398.519	GRFAZZOCANLMDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123531
C1CC(=O)N(CC1C(=O)NCc1cn2CCSc2n1)CCCc1ccccc1	PC-id_91828324	398.522	UHOHYSVZBZRNJK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123532
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)CCCC)C2)n(C)nc2CSCc12	MCULE-3571947529,EMOLS-id_334563515	398.522	BWHASFOSZKPUJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123533
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3CC)C2)n(C)nc2CSCc12	EMOLS-id_334565051,MCULE-6011668903	398.522	DBKBPOJXLHSRGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123534
c1(NC(=O)CC2CCCC2)c2CSCc2nn1CC(=O)NCc1ccccc1	CoCoCo_5277755,ZINC22_23139479,PC-id_30862721,MCULE-1844301426,EMOLS-id_24913523	398.522	VVDOGJPQCRSGNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123535
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)CCc1ccccc1	STOCK6S-24986,ZINC22_61966171,PC-id_17587810,MCULE-2641372893,EMOLS-id_4763267	398.522	ZQQPIZJCWMNBPY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123536
Cc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	PC-id_25699995,CoCoCo_3597930,ZINC22_13069921,EMOLS-id_24160082,CoCoCo_3597929,MCULE-8886855850	398.522	NECHBMSBYQGUFH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123537
Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)cc1	ZINC22_101562499,EMOLS-id_316834347,MCULE-8046137193,PC-id_134813121	398.522	QYFSJACNZVZUPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123538
NC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc2c1CCC2	ZINC22_21822233,EMOLS-id_24174687,MCULE-2178395155,CoCoCo_3565333,CoCoCo_3565332,PC-id_2498824	398.522	UTPUABNGYCUBFC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123539
O=C(Nc1sc2c(c1C(=O)Nc1ccc(cc1)C)CCC2)CN1CCNCC1	CoCoCo_6935898,PC-id_15943316	398.522	IKPJEYYNSZXJRG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123540
s1c2CCCc2cc1C(=O)NNC(=O)CCN1CCN(CC1)c1ccccc1	PC-id_9270631	398.522	KUVHAANVFCFYOA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123541
s1c2CCCc2cc1C(=O)NNC(=O)CN1CCN(CC1)Cc1ccccc1	PC-id_43061259	398.522	BTNVCVAGBQITKW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123542
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1C[C@@H](Nc2ccccc2)CC1)C)C(=O)N	PC-id_52872661	398.522	SYPRKUYTXVSHLN-ZFWWWQNUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123543
s1c2c(CCC2)c(c1NC(=O)[C@H](N1C[C@@H](Nc2ccccc2)CC1)C)C(=O)N	PC-id_52872663	398.522	SYPRKUYTXVSHLN-HIFRSBDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123544
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1ccccc1)C)C(=O)N	PC-id_9250260	398.522	BDAMWTCEWRFXOY-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123545
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1ccccc1)C)C(=O)N	PC-id_9250262	398.522	BDAMWTCEWRFXOY-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123546
s1c2c(CCC2)c(c1NC(=O)C(N1CC(Nc2ccccc2)CC1)C)C(=O)N	PC-id_75948639	398.522	SYPRKUYTXVSHLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123547
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C)C(=O)N	PC-id_34732972	398.522	FTTHEPKZGJLXAW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123548
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1ccccc1)C)C(=O)N	PC-id_46631108	398.522	BDAMWTCEWRFXOY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123549
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)Cc1occc1)C#N	PC-id_8677992	398.522	HMISGYUZKCDKKX-UHFFFAOYSA-O	00000010101100000000000010000000000000000000000000000000	25-01-123550
S1Cc2c(NC(=O)C3CCCC3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053805	398.522	FUEAWMDOEQFKOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123551
S1Cc2c(NC(=O)C3CCCCC3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053383	398.522	CBTZGCVZJQEVNI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123552
c1(NC(=O)C(C)Sc2nnc(N)s2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_6108336,MCULE-2409471639,PC-id_6491373,BAS-12239845,SPECS-id_AN-153/I240407	398.523	FGLUDTXZUHHPJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123553
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(N)s2)sc2c1CCC2	CoCoCo_399481,ZINC22_5016458,PC-id_7456219	398.523	FGLUDTXZUHHPJB-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123554
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(N)s2)sc2c1CCC2	CoCoCo_399482,PC-id_7456217,ZINC22_5016455	398.523	FGLUDTXZUHHPJB-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123555
s1c2c(CCC2)c(c1NC(=O)CCSc1sc(nn1)N)C(=O)OCC	PC-id_17047451	398.523	REFUPOCIFHHZLO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123556
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC)nn1)C(=O)OC	PC-id_27987202	398.523	ZPCLYKDHVZGLTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123557
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC)nn1)C(=O)OCC	PC-id_8228297	398.523	WWDGHPNZPJZMJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123558
c1(NC(=O)Cc2cnccc2c2csc(S)n2)sc2c(CCC2)c1C#N	MCULE-6721990125,EMOLS-id_324905029	398.525	MGPNVWPHFWULFO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-123559
c1(NC(=O)CSc2scc(c3ccccn3)n2)sc2c(CCC2)c1C#N	MCULE-1776708337,EMOLS-id_324865373	398.525	XNNRUUBCCXDREG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-123560
c1(NC(=O)CSc2scc(c3cccnc3)n2)sc2c(CCC2)c1C#N	MCULE-1287841355,EMOLS-id_324899904	398.525	GBYKBLXTCNUETR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-123561
N#Cc1c(NC(=O)C(N2CCN(CC2)Cc2cnn(c2)C)C)sc2c1CCC2	EMOLS-id_100934754	398.525	YIIXHTSQWJQWTE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123562
O=C(N1CCC(n2nnc(C[NH+]3CC(CC3)(C)C)c2)CC1)c1n[nH]c2c1CCC2	PC-id_31074689	398.525	VVYPREGKYSFBFN-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-123563
s1c2CCCc2cc1C(=O)Nc1sc(SCc2ccc(cc2)C#N)nn1	PC-id_78779033	398.525	OWBQIYBDLREVGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123564
s1nc(NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)c(c1C(C)(C)C)C#N	PC-id_71106255	398.528	APVVHYBFUZMZDU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123565
s1nc(NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)c([N+]#[C-])c1C(C)(C)C	PC-id_59703000	398.528	BASTZYRICSUAQZ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-123566
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCC(CC1)Cc1ccccc1	EMOLS-id_328338585,MCULE-8699254710	398.54	KEABCIRYGJGMDG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-123567
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC1(CCCC1)c1ccccc1	EMOLS-id_328213372,MCULE-4070316541	398.54	IPPMTGVERSDXLS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123568
s1c2c(CCC2)c(c1NC(=S)NCCCCCC(=O)OC)C(=O)OCC	PC-id_8729390	398.54	XRRVKYGXGCAMAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123569
c1(c2CCCc2sc1NCc1cccs1)C(=O)Nc1ccccc1OCC	EMOLS-id_1439573,MCULE-9536716835,CoCoCo_306046,BAS-03715673,PC-id_1166868,ZINC22_920863	398.542	PVYSYZVYWFQGNL-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-123570
c1(c2CCCc2sc1NCc1cccs1)C(=O)Nc1ccc(cc1)OCC	MCULE-5341521641,BAS-03715662,ZINC22_920847,CoCoCo_306039,PC-id_1166857,EMOLS-id_1439559	398.542	VDIASKHMULVSIX-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-123571
c1(c2CCCc2sc1NCc1sccc1C)C(=O)Nc1ccccc1OC	EMOLS-id_16406096,MCULE-9174898344,CoCoCo_2720364,PC-id_4689710	398.542	GBASVMSDLBAMQV-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-123572
s1c2c(CCC2)cc1C(=O)N(CC(=O)N1CC[NH+](CC1)Cc1ccccc1)C	PC-id_40972003	398.542	PLNFECKGUQAYCR-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-123573
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)Nc1c(cc(cc1)C)C	PC-id_7280530	398.542	PINDNVKZQGPXRM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123574
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)Cc1ccccc1)C(=O)N	PC-id_8904616	398.542	ZUELSYBKWXAZFX-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-123575
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C)C(=O)Nc1ccccc1	PC-id_7280648	398.542	GBUNJGXKHZUXNU-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-123576
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCCC1)C)C(=O)Nc1ccccc1	PC-id_78468144	398.542	UWSBJPMLYQFKPM-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-123577
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCC1)C(=O)Nc1cc(ccc1)C	PC-id_7280786	398.542	ACHNFYCAWNCDDB-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-123578
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)Nc1ccccc1	PC-id_7280549	398.542	SNWQJPXDPSZCCB-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-123579
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCCC1)C)C(=O)Nc1ccccc1	PC-id_7280651	398.542	UWSBJPMLYQFKPM-OAHLLOKOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-123580
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCCC1)C)C(=O)Nc1ccccc1	PC-id_7280656	398.542	UWSBJPMLYQFKPM-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-123581
s1c(C(=O)N2CC[NH+](CC2)CC(=O)Nc2c(cccc2C)C)cc2CCCc12	PC-id_9480430	398.542	ZAMXYGZHSRYSBG-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-123582
s1c(C(=O)N2CC[NH+](CC2)CC(=O)Nc2c(CC)cccc2)cc2CCCc12	PC-id_9370121	398.542	UUVAYLNZUNAIPG-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-123583
s1c(NC(=O)C[NH+](C(C2CC2)C)Cc2ccccc2)c(c2c1CCC2)C(=O)N	PC-id_78276060	398.542	PVKHDPAWZXCHNA-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-123584
s1c(NC(=O)C[NH+]([C@H](C2CC2)C)Cc2ccccc2)c(c2c1CCC2)C(=O)N	PC-id_2480059	398.542	PVKHDPAWZXCHNA-AWEZNQCLSA-O	00100010100000110000000010000000000000000000000000000000	25-01-123585
CN1CCN(CC1)S(=O)(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCC2	EMOLS-id_110561884	398.543	ZJRIYOPRZJSUOH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123586
O=C(N1CCCC(C1)N1CCCS1(=O)=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008793	398.543	JIHLQAUPLSBGOQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123587
O=C(N1CCC(CC1)N1CCCS1(=O)=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102010920	398.543	VRKVQAVXALBRDN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123588
S(C1CC[n+]2c1n(nc2)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_10007644	398.543	OZIZISKILBGLSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123589
S(C1CCn2[n+](cnc12)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_10415082	398.543	RIUDPFDCFGIKQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123590
CCCCCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCC2	PC-id_109612608	398.545	WCEXRHPHHRJGSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123591
CCCCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCC2)NCC	PC-id_109658925	398.545	XKSWFTKWSCDHHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123592
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1OC(CC(C)C)C)C	PC-id_109743531	398.545	JUZRGEFNNWYWFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123593
s1c2CCCc2cc1C(=O)NN=C(c1ccc(NC2=NCCCS2)cc1)C	PC-id_84965644	398.545	RVHXTJYQTOSSMY-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-123594
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(NC2=NCCCS2)cc1)/C	PC-id_9259143	398.545	RVHXTJYQTOSSMY-QRVIBDJDSA-N	00000010100011110001000010000000000000000000000000000000	25-01-123595
c1(NC(=O)CCCCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334332322,MCULE-1579386180	398.561	IWYWRDJCOABEHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123596
s1c2c(CCC2)c(c1NC(=O)CSC(=S)N1CCCC1)C(=O)OCC	PC-id_7583973	398.563	SQXJZJWPDPAJJY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123597
c1(C(=O)c2ccc(Br)cc2)c2CCCc2sc1NC(=O)CCl	PC-id_1168623,EMOLS-id_6526385,MCULE-3700807832,ASN-04364370	398.702	KVTPKTMGIDEWOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123598
ClC(Cl)(Cl)C(Nc1sc2c(CCC2)c1C(=O)N)NC(=O)CCC	PC-id_4673491	398.736	HRUQLBPFYHHVKW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123599
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)Cc1ccccc1	MCULE-6663891069	398.823	LNISNIOJEOSEEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123600
[O-][N+](=O)c1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)ccc1Cl	EMOLS-id_324835064	398.823	LNISNIOJEOSEEE-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123601
CCNC(=NCc1cc(Cl)ccc1OC(F)F)NCc1nnc2n1CCC2	PC-id_111709193	398.838	USYHIBSZSYUJOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123602
O=C(Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)c1cnn2c1CCC2	EMOLS-id_316153633,MCULE-7376482433,ZINC22_563506876	398.84	YOOQNOAWRIJHLR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-123603
CCOC(=O)n1nc2c(c1NC(=O)C1CCCCO1)CN(C2(C)C)C(=O)Cl	SCHEMBL1204599,PC-id_57523239	398.841	HQXKHDOVOLMOEP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123604
CONC(=O)c1ccccc1Nc1cc(Nc2cnn3c2CCC3)ncc1Cl	CHEMBL4776318,PC-id_141731718	398.846	VTUPVQZBWHYEFB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-123605
CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1nn2c(c1)CCC2	PC-id_141731723	398.846	FKKDOBOVDLJHBS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-123606
COCCNC(=O)c1cc2C[C@@H](Cn2n1)NS(=O)(=O)c1cccc(Cl)c1	EMOLS-id_316334899,MCULE-7004046723	398.864	NUCGOVQEWQTVLO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123607
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N=c2cc3n([nH]2)CCC3)c1	EMOLS-id_324072013,MCULE-5390469392,ZINC22_1857530850,PC-id_146100562	398.864	VSOIAIYLUALAPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123608
c1(NC(=O)c2cccc(c2)OCn2cc(cn2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_8871549,MCULE-4487411376,ZINC22_20606109,PC-id_19615759,BindingDB_PC-id_19615759,TIMTEC232477	398.866	JBGDHEXBOIBWGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123609
Clc1c(NC(=O)Nc2sc3CN(Cc4ccccc4)C(=O)c3n2)cccc1	PC-id_53188472,EMOLS-id_33030408,MCULE-6333733017	398.866	SKGBJXHYYJDSKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123610
Clc1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_7521577	398.884	FLWRLHXRWXBVEG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-123611
Clc1ccc(cc1)CNC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109579	398.886	KXIXMDCAAXDLSI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123612
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1F	PC-id_8729354	398.903	QTCVWPHRWTXEAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123613
Clc1cc(SC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1F	PC-id_84855620	398.903	JFPWEJYXAZJWKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123614
Clc1cc(S[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1F	PC-id_8859364	398.903	JFPWEJYXAZJWKB-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123615
Clc1cc(S[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1F	PC-id_8859377	398.903	JFPWEJYXAZJWKB-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123616
Clc1n(nc(c1C=NNC(=O)c1sc2CCCc2c1)C)Cc1ccccc1	PC-id_85015607	398.909	MQEZEJMZHPOYNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123617
CC1(C(=C(P)P)C2=C(C1=C(P)P)NC=C2)I	PC-id_164053196	398.912	WAIQPXRGSZEKSJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123618
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387742,MCULE-5189241107	398.927	DOOLMQIRIUWCCY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-123619
Clc1sc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_24446556	398.927	IQNXXMAYTOUBLR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-123620
Clc1cn(nc1)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_20174685	398.931	XHAVEBIJBAIFLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123621
s1c2c(cc1C(=O)NCc1ccc(cc1)C)CN(C2)Cc1ccccc1.Cl	CHEMBL1602214	398.949	BZARXOMYIPEIND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123622
Clc1ccc(s1)C[N@@H+]([C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	GD-id_ZINC08473859,PC-id_40741490	398.951	LZGARXWSVODOIW-SECBINFHSA-O	00000010100100000000000010000000000000000000000000000000	25-01-123623
Clc1sc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)CC)cc1	PC-id_41105478	398.951	SFXNKPSRCGQTQQ-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-123624
Clc1sc(C[NH+](C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_74713137	398.951	LZGARXWSVODOIW-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-123625
Clc1sc(C[NH+]([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_40741487	398.951	LZGARXWSVODOIW-VIFPVBQESA-O	00000010100100000000000010000000000000000000000000000000	25-01-123626
Brc1cc(C(=O)c2n(c3c(OC(=O)C3)c2)C)ccc1Br	SCHEMBL7683451,PC-id_9930782	399.034	PIRPCEAPWIECCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123627
Cc1nn2c(=C)nnc2c1Nc1cc(c(c(c1)Br)O)Br	PC-id_136654568	399.041	RHWIQZYPVPVFIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123628
CC1=Nn2c(nnc2C1=Nc1cc(c(c(c1)Br)O)Br)C	PC-id_136089185	399.041	CPTOEAZQZXGUHY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-123629
Fc1cccc(Cl)c1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324914177	399.055	LSVBONBUTCQHFF-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123630
n12c(=O)c(=Cc3c(cccc3F)Cl)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1844302818	399.055	LSVBONBUTCQHFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123631
c12CN(Cc1nn(CC(F)(F)F)c2I)CC(F)(F)F	MCULE-6102491693,EMOLS-id_324345443	399.075	SPMLGILIGDWVLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123632
CCC1CCC2=C(N(C=C12)S(=O)(=O)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4	PC-id_149573832	399.106	ZUQTXAXWOUYVME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123633
CC1C(=O)C2=C(N1C)N=CN2CC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)C)F	PC-id_160263290	399.117	ROXVWOAVCIBTAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123634
C1COCCN1C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)[O-])C(=O)[O-]	PC-id_154053818	399.119	XMVBYMMFYLTFMM-UHFFFAOYSA-L	00000010100010110001100010000000000000000000000000000000	25-01-123635
C1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)O)C(=O)O	PC-id_154053821	399.154	FJCIZRQNPSSHTO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123636
CC1=C(C(=NN1CC(F)F)C)SN2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872115	399.154	VBVRAWURMFAQPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123637
c12CN(Cc1nn(CC1CCCC1)c2I)CC(F)(F)F	MCULE-2719510786,EMOLS-id_324344163	399.194	BXAZYLSQNARGPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123638
CC1=C(C(=CC=C1)C2(CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)O)F)C	PC-id_149928281	399.196	CMRANQKLPJPIDK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123639
CC1=C(C=C(C=C1)F)OC2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)C	PC-id_153536601	399.196	CLLROOAUDKKWDQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123640
CCC(C)(C)NC(=O)C(=O)C1=CC(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C	PC-id_160959071	399.196	AEEDZIHABOTKRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123641
c1(C(=O)N)c2C(C)CCc2n(Cc2c(cccc2F)I)n1	EMOLS-id_331038475,MCULE-5261834689	399.202	BSNDOMYJDYSEAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123642
c1(C(=O)N)c2C(C)CCc2n(Cc2cc(F)ccc2I)n1	EMOLS-id_331034636,MCULE-4918464224	399.202	KQOIDULVSORMAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123643
c1(C(=O)N)c2C(C)CCc2nn1Cc1cc(F)ccc1I	MCULE-4513708997,EMOLS-id_331020725	399.202	HIKJHCQWJIDUSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123644
CC1CCc2nn(Cc3c(F)cccc3I)c(C(=O)N)c12	MCULE-2081799807,EMOLS-id_331020469	399.202	AYDMURSQNDODQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123645
CC1CCCCN1CC(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=C4CCCN4N=C3	PC-id_154805486	399.207	APXGQWPRBVNXAQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123646
CCC/C(=C/C(=N/NCC(=O)N1Cc2c(C1)oc(n2)C)/c1nc(c(cc1)F)C)/C	PC-id_163786313	399.207	MSWFSVFSPAESJF-XQGQYWMXSA-N	00000010100000101001000010000000000000000000000000000000	25-01-123647
O=C(c1cnn(c1I)C(C)(C)C)NC1CCn2c1ncc2	EMOLS-id_278169172	399.23	CYPWMBBSRJVSER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123648
CC(C)C(C(=O)N(C)CC1=NN=C2N1CCC2)NC(=O)CCC3(N=N3)CCC#C	PC-id_154773457,EMOLS-id_317326628,MCULE-3722183237	399.238	RJHTUVYLBCAFBO-UHFFFAOYSA-N	00110010100000000001000010000000000000000000000000000000	25-01-123649
ICC1Sc2n(C1)c(c(n2)C(=O)Nc1ccccc1)C	PC-id_50901121	399.25	KEFPKVNYGATGJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123650
Brc1sc2c(c1CCCCCC)C(=O)C(F)(F)C2=C(C#N)C#N	PC-id_53475246	399.253	HKOIAHHASZSUIF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123651
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)CCc1c(C)noc1C	EMOLS-id_278913361	399.26	IEUNPMNEKKGYDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123652
Clc1ccc(Cl)c(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	PC-id_46861310,EMOLS-id_31548318,MCULE-4668250126	399.27	CSRNKJCCZLBHPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123653
Clc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1Cl	EMOLS-id_31548320,MCULE-1918753466,PC-id_46861311	399.27	VXZGYKWKGCASGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123654
Clc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(Cl)c1	EMOLS-id_31548316,MCULE-5082948250,PC-id_46861309	399.27	CXOACTTXRYRHOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123655
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Cl)cc1Cl	ZINC22_51364517,PC-id_52340468	399.27	CXOACTTXRYRHOC-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123656
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Cl)cc1Cl	ZINC22_51364518,PC-id_52340469	399.27	CXOACTTXRYRHOC-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123657
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1	PC-id_52340472,ZINC22_51364521	399.27	VXZGYKWKGCASGU-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123658
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1	PC-id_52340473,ZINC22_51364522	399.27	VXZGYKWKGCASGU-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123659
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cc(Cl)ccc1Cl	PC-id_52340470,ZINC22_51364519	399.27	CSRNKJCCZLBHPP-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123660
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cc(Cl)ccc1Cl	ZINC22_51364520,PC-id_52340471	399.27	CSRNKJCCZLBHPP-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123661
O=C(N=c1nc[nH]n1c1ccc(C(F)(F)F)cn1)c1cnn2c1CC(F)(F)C2	ZINC22_2325792559	399.278	SFXIJLGZTGFJSO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-123662
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)c1csc(n1)C1CC1	EMOLS-id_316551788,MCULE-5394704340	399.283	QDHODTNCWMFJJV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-123663
Cc1ccc(NCc2cnn3c2CCC3)cc1Oc1ncccc1Br	MCULE-4235946382,EMOLS-id_316869880,ZINC22_668088843	399.284	HXXMVFBDSMOOHV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-123664
c1(c2CCCc2sc1NC(=O)CCl)C(=O)Nc1ccc(c(Cl)c1)OC	EMOLS-id_9987325,PC-id_7304094,TIMTEC29218,MCULE-9730733527	399.292	ACOLKSCXUJTMQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123665
c1(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331358,MCULE-5845900162	399.292	VKAWDMIIHVOESN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123666
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)N	EMOLS-id_2585129,SPECS-id_AP-970/41445481,PC-id_6491075,SPECS-id_AN-153/I181387,BAS-11780877,MCULE-7336951552	399.292	ATHQKVFNTYHIAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123667
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334330841,PC-id_7475009,MCULE-5297902176	399.292	PYIUUMUZXRZKIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123668
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329049,MCULE-1060153825	399.292	GPZXPFZIQZTECJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123669
c1(NC(=O)Nc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_2165640,EMOLS-id_2443535,ZINC22_2749032,TIMTEC552567,MCULE-2587714209,CoCoCo_902374	399.292	XODUHLVXRKEDAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123670
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_398479,ZINC22_5015918,PC-id_7455788	399.292	ATHQKVFNTYHIAL-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123671
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_398480,PC-id_7455785,ZINC22_5015915	399.292	ATHQKVFNTYHIAL-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123672
Clc1c(OC(C(=O)NNC(=O)c2sc3CCCc3c2)C)ccc(Cl)c1	PC-id_46652759	399.292	WIYMOVJYAYISIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123673
O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2n1CCC2	ZINC22_437657918	399.311	DKGRNNYPKCGBMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123674
s1c(NC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)c(c2c1C=CC2)C#N	PC-id_22217312	399.311	XWUSVVTVIRBKME-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-123675
C1Cc2c(C1)n(nc2C(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)C(=O)O	PC-id_135371642,SCHEMBL20551776	399.339	LDNWXJWIGGXTBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123676
C1Cc2c(C1)n(nc2C(F)F)CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)O	PC-id_135371640,SCHEMBL20551774	399.339	LDNWXJWIGGXTBJ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123677
F[C@H]1CCN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19584314	399.343	GQXBAGAETWSCMS-PXYINDEMSA-N	00000010100000101001000010000000000000000000000000000000	25-01-123678
O=C(C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F)N1CCCC1	SCHEMBL19609372	399.343	KVMUYAAYQYHADZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-123679
s1c2c(CCC2)c(c1NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)C#N	PC-id_539998	399.355	OHJUTOPDIKYWMR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123680
O=C(c1n[nH]c2c1CCC2)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F	SCHEMBL18326669	399.358	ZDWRFRNGRMHJSI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123681
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cc(OC)c(c(OC)c2)OC)n1	MCULE-7716960392,EMOLS-id_1359767,BAS-01939694,CHEMBL1434963,SPECS-id_AG-690/40697750,TIMTEC205672,ZINC22_869845,PC-id_1129771,CoCoCo_225014	399.364	HXNVBIYHEDOTHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123682
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN(CC2)C(=O)[O-])cc1)C	PC-id_69480565,SCHEMBL5539561	399.377	ADCSUOHTHYIRKK-UHFFFAOYSA-M	00000010100011110001100010000000000000000000000000000000	25-01-123683
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN(CC2)C(=O)[O-])cc1)C	PC-id_69480566,SCHEMBL5539566	399.377	ADCSUOHTHYIRKK-LJQANCHMSA-M	00000010100011110001100010000000000000000000000000000000	25-01-123684
CCOC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1C(C)OC2	SCHEMBL2162159,PC-id_24772093	399.384	GTJXRXZIBSLMMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123685
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C(F)(F)F)S(=O)C	SCHEMBL10816846,PC-id_20235105	399.384	GISXHWCSUUGLAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123686
O=C(c1ccc(cc1)OC(F)(F)F)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	SCHEMBL21261089,PC-id_139404217	399.384	MXOYSTQXKXXUDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123687
s1c2c(CCC2)c(c1NC(=O)COc1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_16522753	399.384	PODBSOGOIXDRLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123688
CCCCCCC1(CCCCCC)C(=O)c2c(C1=O)sc(c2)Br	PC-id_139254639	399.385	PRNXCPCWOVYHAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123689
CCCCCCCCCCCCc1c(Br)sc2c1C(=O)CC2=O	PC-id_139254644	399.385	ZUSDDHTUAMIFSS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123690
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1OCC	EMOLS-id_324910602	399.387	POWBXAMXGBRORX-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-123691
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCCC)sc1nc(C(F)(F)F)n2	MCULE-9389969967	399.387	POWBXAMXGBRORX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123692
FC(F)(F)c1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_324919048	399.389	PEQHFQZLWXMMSH-ZBUTWXCBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123693
FC(F)(F)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_324918536	399.389	WQELCLJAAHCVHB-NJAVVXAXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123694
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)C=Cc1ccccc1	MCULE-3574955208	399.389	WQELCLJAAHCVHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123695
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)C=Cc1ccccc1	MCULE-3586333364	399.389	PEQHFQZLWXMMSH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123696
CCOC(=O)c1ccccc1C(=O)c1ccc2n1CCC2(C(=O)OC)C(=O)OC	SCHEMBL11059211,PC-id_20454665	399.394	GDGKDICGKLOMOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123697
CC[N+]1(c2c(C(=N1)NC(=O)c1cccc(c1)C#N)sc(c2)C(=O)OC)C(=O)O	PC-id_91252893	399.4	LHVBIVFWYYQWLU-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-123698
CCOC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCOC1=O	SCHEMBL2921825,PC-id_68441729	399.401	LWMGZVPKJJAOCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123699
O=C(N1Cc2c([nH]nc2NC(=O)C#Cc2ccccc2)C1)NC(=O)c1ccccc1	PC-id_68439227,SCHEMBL2914463	399.402	VWXNTTIJWYSWKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123700
COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(c1)c1ccc(cc1)C(F)(F)F	PC-id_59180217,SCHEMBL1003670	399.406	VPOLOZKZVGGZSE-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123701
C1Cc2c(n(c(=O)n2C1)CCCCNCCOc1cccc(c1)C(F)(F)F)O	PC-id_91305954	399.407	VPVLTQHBYDJNDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123702
c1(C(F)(F)F)c2CCCc2n(CC(=O)N(c2ccccc2)Cc2ccccc2)n1	TIMTEC5369,MCULE-4361626499,TIMTEC204764,CoCoCo_225007,BAS-01939684,EMOLS-id_1359753,ZINC22_869840,PC-id_1129766,SCHEMBL1007585	399.409	HWNKURPUTXLELK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123703
CCC(C(=O)Nc1c(C)nn(COC)c1C)n1nc(c2CCCc12)C(F)(F)F	MCULE-2932834387,EMOLS-id_8867565,TIMTEC301242,PC-id_19591031	399.411	LZUHBLAHNSKTFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123704
CC[C@@H](C(=O)Nc1c(C)nn(COC)c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607614,PC-id_29092521	399.411	LZUHBLAHNSKTFM-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123705
CC[C@H](C(=O)Nc1c(C)nn(COC)c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607615,PC-id_29092522	399.411	LZUHBLAHNSKTFM-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123706
c12c(CCC1C(=O)Nc1ccc(cc1)F)sc(NC(=O)c1ccc(cc1)F)n2	MCULE-8901793917,EMOLS-id_12346553,PC-id_16947246	399.414	YUMOJSIZCCNDDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123707
c12c(CCC1C(=O)Nc1ccc(c(F)c1)F)sc(NC(=O)c1ccccc1)n2	EMOLS-id_12346275,PC-id_16947107,MCULE-1924713427	399.414	PPYDBTREPFQDBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123708
c12c(CCC1C(=O)Nc1cccc(F)c1)sc(NC(=O)c1ccc(cc1)F)n2	MCULE-2613837809,EMOLS-id_12346551,PC-id_16947245,Chemmine_45420	399.414	FVOSGHYXHMMZHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123709
c1(NC(=O)CCc2oc(cn2)c2ccc(c(F)c2)F)sc2c(CCC2)c1C#N	EMOLS-id_322835389,MCULE-3862920883	399.414	VZWMHWSRZJFNMS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123710
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324870153	399.414	ZSPLKGVAYGUSRC-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123711
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324873736	399.414	JKBHPIRWTKNQLW-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123712
Cc1cccc(C)c1OCc1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324870670	399.414	IJPRGPYNVHOGJP-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123713
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)c1	EMOLS-id_324878350	399.414	PCFRDBKDVXAXCT-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123714
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)c1	EMOLS-id_324881933	399.414	GPEIKIDIGGRYHT-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123715
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)c1	EMOLS-id_324882947	399.414	KCWPQABVEHPDBB-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123716
Cc1cccc(OCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)c1C	EMOLS-id_324876299	399.414	HRINSKQZFJOQMB-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123717
Cc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)c1C	EMOLS-id_324875787	399.414	UKGSSEIRBRTPAC-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123718
Cc1cccc(OCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)c1C	EMOLS-id_324880896	399.414	BMHHHLGIEIDYCK-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123719
CCc1cccc(OCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)c1	EMOLS-id_324889609	399.414	UZCHEIVREJGZBP-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123720
CCc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)c1	EMOLS-id_324889097	399.414	ZQLYNIBINXYGII-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123721
CCc1cccc(OCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)c1	EMOLS-id_324890126	399.414	FKXBWCLOEJIECF-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123722
CCc1ccc(OCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324888576	399.414	RDXGMDPKTUSSAQ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123723
CCc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324888064	399.414	RGFYNMFZJJRERR-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123724
CCc1ccc(OCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1	EMOLS-id_324889093	399.414	ZIMWJOQKNXQLQT-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123725
Fc1ccc(c2cnc(CCC(=O)Nc3sc4CCCc4c3C#N)o2)c(F)c1	MCULE-6163693034,EMOLS-id_322835645	399.414	MWGNYELRKZIIMB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123726
Fc1ccc(cc1)C(=O)Nc1sc2c(n1)[C@H](CC2)C(=O)Nc1ccccc1F	CoCoCo_5124770	399.414	IHLVEUAFLVZDPW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123727
Fc1ccc(cc1)C(=O)Nc1sc2c(n1)[C@@H](CC2)C(=O)Nc1ccccc1F	CoCoCo_5124771	399.414	IHLVEUAFLVZDPW-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123728
Fc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1F	EMOLS-id_324850423	399.414	CJTKANZDJQQYMV-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-123729
Fc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c(F)c1	EMOLS-id_324850935	399.414	NSBZRWYSTMMRFE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123730
Fc1ccc(F)c(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324851452	399.414	WAKGKWCVCVSCCI-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-123731
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)CCCOc1ccccc1	MCULE-9805321725	399.414	WAKGKWCVCVSCCI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123732
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)COc1ccc(cc1)CC	MCULE-7941565516	399.414	ZIMWJOQKNXQLQT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123733
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)COc1cccc(C)c1C	MCULE-4119830894	399.414	BMHHHLGIEIDYCK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123734
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)COc1cc(C)ccc1C	MCULE-7939637467	399.414	KCWPQABVEHPDBB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123735
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)COc1c(C)cccc1C	MCULE-9187583724	399.414	IJPRGPYNVHOGJP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123736
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)COc1cccc(CC)c1	MCULE-9483841427	399.414	FKXBWCLOEJIECF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123737
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)CCCOc1ccccc1	MCULE-8974642631	399.414	NSBZRWYSTMMRFE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123738
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1ccc(cc1)CC	MCULE-5283633719	399.414	RDXGMDPKTUSSAQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123739
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1cccc(C)c1C	MCULE-3934530405	399.414	HRINSKQZFJOQMB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123740
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1c(C)cccc1C	MCULE-4602146798	399.414	ZSPLKGVAYGUSRC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123741
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1cc(C)ccc1C	MCULE-8865778417	399.414	PCFRDBKDVXAXCT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123742
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1cccc(CC)c1	MCULE-4480806510	399.414	UZCHEIVREJGZBP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123743
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)CCCOc1ccccc1	MCULE-3824557852	399.414	CJTKANZDJQQYMV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123744
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1ccc(cc1)CC	MCULE-6748577008	399.414	RGFYNMFZJJRERR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123745
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1cccc(C)c1C	MCULE-5911753045	399.414	UKGSSEIRBRTPAC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123746
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1c(C)cccc1C	MCULE-7203722729	399.414	JKBHPIRWTKNQLW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123747
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1cc(C)ccc1C	MCULE-8159524703	399.414	GPEIKIDIGGRYHT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123748
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1cccc(CC)c1	MCULE-9022542690	399.414	ZQLYNIBINXYGII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123749
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1cccc(F)c1)c1ccc(F)cc1	CoCoCo_5124772,PC-id_40945515,ZINC22_9131582	399.414	FVOSGHYXHMMZHA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123750
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1cccc(F)c1)c1ccc(F)cc1	ZINC22_9131581,CoCoCo_5124773,PC-id_40945514	399.414	FVOSGHYXHMMZHA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123751
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1	CoCoCo_5124775,ZINC22_9131584,PC-id_40945517	399.414	YUMOJSIZCCNDDV-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123752
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1	PC-id_40945516,ZINC22_9131583,CoCoCo_5124774	399.414	YUMOJSIZCCNDDV-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123753
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc(F)c(F)c1)c1ccccc1	CoCoCo_5124716,PC-id_40945264,ZINC22_9131312	399.414	PPYDBTREPFQDBK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123754
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(F)c(F)c1)c1ccccc1	CoCoCo_5124717,PC-id_40945265,ZINC22_9131313	399.414	PPYDBTREPFQDBK-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123755
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(F)cccc1	PC-id_16947244	399.414	IHLVEUAFLVZDPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123756
Cn1c2c(CCC2=O)c(c1Nc1c(cc(cc1)C#C)F)C(=C)NOC(CO)CO	SCHEMBL13984396,PC-id_89219592	399.415	FAVGVZFHWCMVNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123757
c1(C(=O)NCc2c3CCCc3[nH]n2)c(c2ccc(c(OC)c2)F)onc1N(C)C	MCULE-6495854970,EMOLS-id_317356130,PC-id_135095045,ZINC22_1704303223	399.419	FTQRARLMBNJPRT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123758
c1(NC(=O)COc2ccc(cc2N(=O)=O)C(=O)CC)sc2c(CCC2)c1C#N	EMOLS-id_323575613,MCULE-5420506964	399.42	IYTGLMGYILLSCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123759
CC1(Cn2cc(nc2S1=O)[N+](=O)[O-])COc1ccc(cc1)Oc1ccccc1	PC-id_137641737	399.42	OOEYCYRNAHHRGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123760
COC(=O)c1c(NC(=O)COc2ccc(c3nnco3)cc2)sc2c1CCC2	ZINC22_3309910,MCULE-5934988555,PC-id_2425585,EMOLS-id_45709458	399.42	ZFSILPDMFBSDIG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123761
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(cccc1)C#N)C(=O)N	PC-id_4652490	399.42	OXAPGUOUKSDMTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123762
COC(=O)c1c(NC(=O)COc2cccc(n3cnnn3)c2)sc2c1CCC2	ZINC22_12799100,CoCoCo_2872886,MCULE-6405002789,PC-id_25520959,EMOLS-id_17181519	399.424	WFLPDUXSSUZEMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123763
s1c2c(CCC2)c(c1NC(=O)COc1ccc(n2nnnc2)cc1)C(=O)OC	PC-id_51141851	399.424	NYQPUOUXHCPJCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123764
CC(N(S(=O)(=O)c1cnc2n1CCC2)c1cccc(c1)C(F)(F)F)C1CC1	EMOLS-id_101163188	399.431	SZDYVJLLRPUDLK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-123765
C[C@H]1C[C@@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c2nccn12	ZINC22_333222394	399.434	WJNPWJUSWWGROG-CMPLNLGQSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123766
C[C@H]1C[C@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c2nccn12	ZINC22_333222395	399.434	WJNPWJUSWWGROG-JQWIXIFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123767
C[C@@H]1C[C@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c2nccn12	ZINC22_333222396	399.434	WJNPWJUSWWGROG-PWSUYJOCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123768
C[C@@H]1C[C@@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c2nccn12	ZINC22_333222397	399.434	WJNPWJUSWWGROG-ZYHUDNBSSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123769
O=C(N1CCC(CC1)c1scc(n1)C(F)(F)F)NC1CC(n2c1ncc2)C	EMOLS-id_101423013,MCULE-8008156408	399.434	WJNPWJUSWWGROG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-123770
CCOc1ccc(cc1)C(=O)c1ccc2n1CCC2(C(=O)OCC)C(=O)OCC	PC-id_19914079,SCHEMBL9689994	399.437	JJNUFHXALBNEOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123771
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)[nH]nc(c2cccc(F)c2)c1	EMOLS-id_328129950,MCULE-3834813238	399.439	WDWSKDKVNIKRAN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123772
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COCc1ccc(cc1)c1ccc(cc1)F	PC-id_137648871	399.439	CEJMFBJXLHSSBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123773
s1c2CCCc2cc1C(=O)NNC(=O)CCc1oc(c2ccc(F)cc2)cn1	PC-id_41372735	399.439	QUXGEAFVXSKQSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123774
s1c2CCCc2cc1C(=O)OCC(=O)Nc1n(nc(c1)C)c1ccc(F)cc1	PC-id_24567547	399.439	VTNOCVWKGHBCMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123775
c1(c2CCCc2[nH]n1)C(=O)N1CC[C@@H]([C@](Cc2cccc(OC)c2)(C(=O)O)C1)O	MCULE-9871306411,EMOLS-id_337776192,ZINC22_2356151701	399.44	UXFJLMNHLLZRBD-LAUBAEHRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123776
Cc1ccc(cc1)CC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481219,SCHEMBL5541682	399.444	UBYJTWQMOOOPMH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123777
CCN1CCN(C(=O)C1=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109597	399.444	OXMQYPDFGQBMQG-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-123778
CCOC(=O)n1nc(c2c1CN(C2)C(=O)N(CC)CC)NC(=O)c1ccccc1	PC-id_141417108	399.444	VELBRIZAUWPMMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123779
O1C(CN2CCN(CC2)C(=O)CCc2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5542067,PC-id_23081376	399.444	MHPZDHVHZXWIJF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123780
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)C)C(=O)OC	MCULE-6549447350,PC-id_73553092	399.46	PRMVNJJIANZWRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123781
C(=CC(=O)Nc1sc2CCCc2c1C(=O)OCC)C(=O)c1cccc(OC)c1	MCULE-3769047258	399.46	OZAYJWUFWUDSOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123782
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(=O)OC)sc2CCCc12	EMOLS-id_327975499	399.46	QBXQOKAYLBHVGI-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123783
CCOC(=O)c1c(NC(=O)/C=C/C(=O)c2cccc(OC)c2)sc2CCCc12	EMOLS-id_328262460	399.46	OZAYJWUFWUDSOC-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123784
C(=O)(OC)c1ccc(cc1)C=CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-1313309882	399.46	QBXQOKAYLBHVGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123785
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc2c(c1)OC1(CCCC1)O2	MCULE-4075788456,CoCoCo_2840754,ZINC22_8037993,PC-id_9168503,EMOLS-id_43696710	399.46	CYPHBRROPFTWOL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-123786
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1(CC1)c1ccccc1)C(=O)OC	PC-id_24380580	399.46	VARMAZHCWASOQF-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-123787
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(cc1)C)C(=O)OC	PC-id_45615274	399.46	ALESALMGBZYTBJ-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123788
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(cc1)C)C(=O)OC	PC-id_75122144	399.46	ALESALMGBZYTBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123789
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccccc1)C(=O)OCC	PC-id_7852849	399.46	SYGDWKKRFBRJCT-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123790
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccccc1)C(=O)OCC	PC-id_78554797	399.46	SYGDWKKRFBRJCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123791
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1ccc(cc1)C)C(=O)OC	PC-id_19177197	399.46	PRMVNJJIANZWRS-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123792
CC1CCN(CC1)C(=O)N1Cc2c(C1(C)C)n[nH]c2NC(=O)c1ccc(cc1)F	SCHEMBL5101827,PC-id_10431039	399.462	BXAOLVGYSHNAHM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123793
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	BindingDB_PC-id_10023862,CHEMBL599237,PC-id_10023862,SCHEMBL3458048	399.462	IRQVBNQXTXFQTM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123794
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)F	BindingDB_PC-id_46228560,PC-id_46228560	399.462	YRWDEKPEPUVMIZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123795
Fc1cc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(CC2)C)(C)C)ccc1	PC-id_10408632	399.462	HTTARIJSPIAMHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123796
c1(NC(=O)c2c(CC)noc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_13329577,TIMTEC214159,CoCoCo_6844151,MCULE-4961553841,PC-id_17172832,EMOLS-id_14315713	399.463	IGWOMIYNUOVGDF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-123797
c1(NC(=O)C2CC(=O)NN2Cc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-3733180081,PC-id_2963460,EMOLS-id_2006442,ChEMBL-DNDi_CHEMBL7910189	399.463	ZFPFRJOBSNFTKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123798
c1(NC(=O)C(=O)NCCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	MCULE-4984687748,PC-id_8030491,EMOLS-id_4734939,STOCK6S-06840,ZINC22_6662100,CoCoCo_6533759	399.463	GSTWNLSVFJAPFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123799
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)C(=O)OCC)C1	EMOLS-id_323366841,MCULE-9105401183	399.463	IXPQSLAEBAIIOK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123800
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCC2	CoCoCo_516388,ZINC22_1893177,PC-id_1631697,CoCoCo_516386	399.463	ZFPFRJOBSNFTKS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123801
COC(=O)c1c(NC(=O)[C@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCC2	PC-id_1631696,ZINC22_1893176,CoCoCo_516389,CoCoCo_516387	399.463	ZFPFRJOBSNFTKS-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123802
NC(=O)c1c(NC(=O)CN(Cc2ccco2)Cc2ccco2)sc2c1CCC2	PC-id_8841264,MCULE-7397316551,ZINC22_7726183,CoCoCo_4118509,EMOLS-id_11739786	399.463	MVOUZRCYZBZJGS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-123803
NC(=O)c1c(NC(=O)COc2cccc(N3CCCC3=O)c2)sc2c1CCC2	ZINC22_32765153,EMOLS-id_24496311,MCULE-4979631359,PC-id_39992116,CoCoCo_4143111	399.463	MXIIPIBZKNHZHI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123804
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC=C2)C)C1)C(=O)OC	PC-id_73535723	399.463	GEWSNTMTUMTNJB-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-123805
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(cc1)C)C)C(=O)OC	PC-id_19660706	399.463	WNGMLPLFGFMIEJ-WSDLNYQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123806
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(cc1)C)C)C(=O)OC	PC-id_73635158	399.463	WNGMLPLFGFMIEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123807
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(cc1)C)C(=O)OCC	PC-id_3381838	399.463	YSZDBOWLUWUMFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123808
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccccc1)C)C(=O)OCC	PC-id_4182563	399.463	SFUIWPDFXZRPDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123809
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(cc1)C)C(=O)OCC	PC-id_5809726	399.463	YSZDBOWLUWUMFF-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123810
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccccc1)C)C(=O)OCC	PC-id_9651781	399.463	SFUIWPDFXZRPDA-WSDLNYQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123811
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(CC)cc1)C(=O)OC	PC-id_4052554	399.463	SGSZQFSMLCKZAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123812
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(CC)cc1)C(=O)OC	PC-id_5998494	399.463	SGSZQFSMLCKZAP-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123813
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/Cc1ccccc1)C(=O)OCC	PC-id_19661412	399.463	FFFFPCXPYRZAGG-CIAFOILYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123814
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=CCc1ccccc1)C(=O)OCC	PC-id_73635845	399.463	FFFFPCXPYRZAGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123815
CCOC(=O)C1CCCN(C1)C(=O)C1CCc2nnc(n12)CN[S+](=O)(C)[O-]	PC-id_134799197	399.465	UVODTYHSCAFTSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123816
CCOC(=O)C1CCN(CC1)C(=O)C1CCc2nnc(n12)CN[S+](=O)(C)[O-]	PC-id_134797120	399.465	KFDCUTWTEZGTBM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123817
CN(C)c1ccc(/C=c/sc3c(C#N)cc(C(=O)c4ccccc4)n3c2=O)cc1	ZINC22_3444627	399.465	PGHFRBQLGUBAMI-UDWIEESQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123818
N#Cc1cc(n2c1sc(=Cc1ccc(cc1)N(C)C)c2=O)C(=O)c1ccccc1	EMOLS-id_26190237,MCULE-6354595002	399.465	PGHFRBQLGUBAMI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123819
s1c2CCCc2c(c1NC(=O)COc1ccc(c2ccc(cc2)C#N)cc1)C#N	PC-id_38902051	399.465	VVTVTZCFLYZIMR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123820
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)c1c(F)cccc1)C#N	PC-id_7770346	399.465	DXDUAJRUZSTRHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123821
c1(NC(=O)COc2cccnc2NC(=O)NC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321871992,MCULE-6108724079	399.467	VHJLYPRRZWBLMK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123822
c1(NC(=O)COc2cccnc2NC(=O)NCCC)sc2c(CCC2)c1C#N	EMOLS-id_321875063,MCULE-9758244114	399.467	CMCRIFUBTHTKOO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123823
CC1CC(c2n1ncn2)NCc1cccnc1Oc1cccc(c1)S(=O)(=O)C	EMOLS-id_320061320,MCULE-3797944503	399.467	KBKHRSKSHAGDLK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-123824
COc1ccc(c2nc(C(=O)NCCc3nnc4n3CCC4)cs2)cc1OC	EMOLS-id_31868028,ZINC22_54562534,PC-id_51111775,MCULE-5174186419	399.467	NMHINXYSBGUZRT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123825
s1c(C(=O)NCc2n3CCCc3nn2)c(nc1c1cc(OC)c(OC)cc1)C	PC-id_52375807	399.467	DRKYFXOKBJSHEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123826
c1(NC(=O)CN2CCN(CC2)c2c(C)n[nH]c(=O)n2)sc2c(CCC2)c1C#N	EMOLS-id_322523235,MCULE-3510205084	399.47	ZYBOHCLADVFMJI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-123827
c1(NC(=O)CN2CCN(CC2)c2[nH]c(=O)cc(N)n2)sc2c(CCC2)c1C#N	MCULE-1361179197,EMOLS-id_322525027	399.47	PYCYFFPNTYQXRQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-123828
c1(NC(=O)CN2CCN(CC2)c2nnc(c(=O)[nH]2)C)sc2c(CCC2)c1C#N	MCULE-3742718156,EMOLS-id_322523746	399.47	QMFKGUBXWKVPDS-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-123829
CCCCCCCCCCCCN1C(=O)c2c(C1=O)sc(c2)Br	SCHEMBL20434473,PC-id_135271183	400.374	VMNXBUPDWTWYLL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124151
Cc1nc(c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1nnc2n1CCC2	ZINC22_32058989,MCULE-2044362290,PC-id_39296704,EMOLS-id_31938706	399.47	PYPFYZDQUZSBDX-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-123830
CCCCCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(c(c1)OC)OC	SCHEMBL7678168,PC-id_15485822	399.48	KKYCDBRPFFXKAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123831
c1(CN(Cc2ccco2)C(=O)CSc2ccc(F)cc2)c2CCCc2n(C)n1	EMOLS-id_50145236,MCULE-8421753221,PC-id_86266531	399.482	GEBICMZAJGZLPP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123832
N#Cc1c(NC(=O)C(N2CCOC(C2)c2cccc(c2)F)C)sc2c1CCC2	EMOLS-id_98138903	399.482	KNNLIDAEZSDKCS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123833
N#Cc1c(NC(=O)C(N2CCOC(C2)c2ccccc2F)C)sc2c1CCC2	EMOLS-id_98138948	399.482	GSDJVNWTOKFCAM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123834
N#Cc1c(NC(=O)C(N2CCOC(C2)c2ccc(cc2)F)C)sc2c1CCC2	EMOLS-id_99023373	399.482	LMKHYNSTKDTELW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123835
s1c2c(CCC2)c(c1NC(=O)CCN1CC(OCC1)c1ccc(F)cc1)C#N	PC-id_43065722	399.482	NSRVBWMUJZSNLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123836
c1(C(=O)OC(C)(C)C)n(C(C)(C)C)nc2CN(C(=O)OCc3ccccc3)Cc12	MCULE-8849763882,EMOLS-id_324348773	399.483	JBYWOPSAINTGLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123837
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1c(cccc1)C	PC-id_74533876	399.483	SWWHSYPBNWFZHA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123838
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1ccc(cc1)C	PC-id_74533877	399.483	MKVYFXWXLVRSGA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123839
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)NCc1ccccc1	PC-id_74533873	399.483	RVILCFUXZKBGNF-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123840
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_27522296	399.483	WITLPSBAXRFLBZ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123841
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1c(cccc1)C	PC-id_27522335	399.483	SWWHSYPBNWFZHA-GFCCVEGCSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123842
s1c2c(CCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)Nc1c(cccc1)C	PC-id_27522337	399.483	SWWHSYPBNWFZHA-LBPRGKRZSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123843
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1ccc(cc1)C	PC-id_27522340	399.483	MKVYFXWXLVRSGA-CYBMUJFWSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123844
s1c2c(CCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)Nc1ccc(cc1)C	PC-id_27522342	399.483	MKVYFXWXLVRSGA-ZDUSSCGKSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123845
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)NCc1ccccc1	PC-id_27522315	399.483	RVILCFUXZKBGNF-CYBMUJFWSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123846
s1c2c(CCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)NCc1ccccc1	PC-id_27522317	399.483	RVILCFUXZKBGNF-ZDUSSCGKSA-M	00000010100000110000000010000000000000000000000000000000	25-01-123847
CCCc1cc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(c(n1)C)F	SCHEMBL15002348,PC-id_89608252	399.485	RKNIJPHJQYVHQN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-123848
CCCc1nc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(c(c1)C)F	PC-id_89623210,SCHEMBL15024465	399.485	LRNWNFLUJPPOEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123849
CCOC(=O)C1CCc2sc(NC(=O)C3CN(C3)S(=O)(=O)C3CC3)nc12	MCULE-5022176977,EMOLS-id_45816270,PC-id_71785608	399.485	QPUNMQRXPAEJIN-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-123850
CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CN(S(=O)(=O)C4CC4)C3)nc12	PC-id_95377629,ZINC22_70839044	399.485	QPUNMQRXPAEJIN-LLVKDONJSA-N	00101010100000000001000010000000000000000000000000000000	25-01-123851
CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(S(=O)(=O)C4CC4)C3)nc12	PC-id_95377630,ZINC22_70839048	399.485	QPUNMQRXPAEJIN-NSHDSACASA-N	00101010100000000001000010000000000000000000000000000000	25-01-123852
n12CCC(C(=O)N3CCN(CC3)c3ccccc3)c1ccc2C(=O)c1ccccc1	PC-id_46925745,MCULE-8087020260,EMOLS-id_31799147	399.485	FQYLKSUNSPHCCW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123853
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCNC(c2ccccc2)C1=O	MCULE-8539879062,EMOLS-id_328340624	399.485	NYCHFOAMRBEMRC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123854
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCNC(=O)C1c1ccccc1	MCULE-8205767124,EMOLS-id_328340880	399.485	GQBVRPSLKVWWDR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123855
N#Cc1c(NC(=O)C(N2CCN(CC2)c2cncc(c2)F)C)sc2c1CCC2	EMOLS-id_98207273	399.485	DLPOBVZHUHNLFP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-123856
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCN(c2ccccc2)CC1	ZINC22_57476762,PC-id_52451453	399.485	FQYLKSUNSPHCCW-NRFANRHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123857
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCN(c2ccccc2)CC1	ZINC22_57476764,PC-id_52451454	399.485	FQYLKSUNSPHCCW-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123858
s1c2c(CCC2)c(c1NC(=O)CSC1NC(O)CC(=O)N1)C(=O)OCC	PC-id_73378798	399.485	AYEGJIMHUSHBEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123859
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cc(n(CCOC)c1C)C	EMOLS-id_207863231,MCULE-3880087616	399.487	VCZKPEVZUVKKEI-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-123860
CCC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccccc1)CN(C)C	PC-id_89801152,SCHEMBL15252824	399.487	YCOWCDJLEZXZND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123861
CCC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C	SCHEMBL12879458,PC-id_58015640	399.487	YCOWCDJLEZXZND-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123862
CCOc1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)ccc1OC	EMOLS-id_324833023	399.487	UMEXSWNIBADVJF-YBEGLDIGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123863
CCOc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1OC	EMOLS-id_324836080	399.487	VAOSNNGFQRMZGE-YBEGLDIGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123864
COc1ccc(CCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1OC	EMOLS-id_324894720	399.487	WYLXPGRMEUMMSX-YBEGLDIGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123865
COc1ccc(OCCCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)cc1	EMOLS-id_324891143	399.487	WQTKMHQVLBZMKF-WJDWOHSUSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123866
COC(=O)c1c(NC(=O)c2sc(c3ccccn3)nc2C)sc2c1CCC2	PC-id_71944268,MCULE-9957781122,ZINC22_61438534,EMOLS-id_45632764	399.487	ZQUKMCOJBUEUIZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-123867
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)Cc1cccs1	MCULE-7208956049	399.487	VAOSNNGFQRMZGE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123868
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC)c2=O)Cc1cccs1	MCULE-1323836420	399.487	UMEXSWNIBADVJF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123869
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9285321561	399.487	WYLXPGRMEUMMSX-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123870
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-4892616527	399.487	WQTKMHQVLBZMKF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-123871
s1c2CCCc2cc1C(=O)NNC(=O)c1nc(sc1)c1ccc(OC)cc1	PC-id_27684757	399.487	LQZHEIBGAKFARL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123872
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(OC)cc1)C)C#N	PC-id_2658391	399.487	NMGQBOQYGZYAOL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123873
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1cc(OC)ccc1)C)C#N	PC-id_8110737	399.487	DRHLYKYZGKGIRT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123874
s1c2CCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1	PC-id_7542060	399.487	GQFHBZTUGQHOTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123875
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	PC-id_33040372	399.487	FXFYCAPTBLVDSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123876
s1c2CCCc2nc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1	PC-id_7541935	399.487	QCFQJSYWEDWIKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123877
s1c2CCCc2nc1NC(=O)c1c(NS(=O)(=O)c2ccccc2)cccc1	PC-id_7541872	399.487	ZIRKRVRZCLAIQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123878
s1c2CCC(c2nc1NC(=O)c1nc(sc1)c1ccccc1)C(=O)OCC	PC-id_49712122	399.487	CKDIIPSRUPOSJE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123879
c1(NC(=O)c2snnc2C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_16453532,MCULE-8309976795,EMOLS-id_2647639,TIMTEC375461,CoCoCo_2249863,ZINC22_9251773	399.49	PENDLLXMNALJLE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-123880
Cc1occc1c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1C	PC-id_2525841,EMOLS-id_3386913,ZINC22_3407071,CoCoCo_3102290,MCULE-8002607936	399.49	BYHUSQHSGADNBD-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-123881
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccco1	EMOLS-id_3346713,PC-id_2472568,CoCoCo_2799608,MCULE-9373935319,ZINC22_3355315	399.49	DTZQFPPFGWBYEJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-123882
CN=C(NC1CCN(C1)c1cc(OC)cc(c1)OC)NCc1nnc2n1CCC2	PC-id_111924503	399.49	XXQBXIFFICKJML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123883
NC(=O)c1c(NC(=O)CSc2ncn(c3ccccc3)n2)sc2c1CCC2	CoCoCo_4496700,PC-id_4228581,ZINC22_6344870,EMOLS-id_13460645,MCULE-8769016803,CoCoCo_4496701	399.49	QHGPPFSANQXSEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123884
NC(=O)c1c(NC(=O)CSc2nncn2c2ccccc2)sc2c1CCC2	ZINC22_5621799,PC-id_5160315,CoCoCo_2970756,MCULE-3638194381,EMOLS-id_11707581,SCHEMBL21045421	399.49	RMCHRDOZIZXFLJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123885
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1ccccc1)C(=O)N	PC-id_4654439	399.49	DAPMYVUVVXLNNK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123886
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1sc(nn1)C	PC-id_16947618	399.49	OTURZKPJRMLRCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-123887
c1(NC(=O)C=Cc2ccccc2OCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-6174635379,PC-id_3464623	399.503	HELZUQZLNMWAAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123888
c1(NC(=O)C=Cc2ccc(cc2)OCCCC)sc2c(CCC2)c1C(=O)OC	PC-id_4138198,MCULE-5933084489	399.503	PRLVKRNEXKPVME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123889
c1(NC(=O)C=Cc2ccccc2OCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-8090693749,PC-id_3615954	399.503	URLHIPLOWKHGPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123890
c1(NC(=O)C=Cc2ccc(cc2)OCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_2791688,MCULE-5612156699	399.503	SSKYQBJFNOZHPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123891
CCCOc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	CoCoCo_861046	399.503	SSKYQBJFNOZHPY-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123892
CCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1	EMOLS-id_25938405,ZINC22_1778018,PC-id_1568677,CoCoCo_861045	399.503	SSKYQBJFNOZHPY-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123893
CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(=O)C(C)(C)C)sc2CCCc12	MCULE-3058719350,EMOLS-id_328263692	399.503	FFWLTTLJEZBISM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123894
CSc1cc2n(c1C(=O)c1ccc(cc1)C1CCCCC1)CCC2OC(=O)O	PC-id_70449265,SCHEMBL10812707	399.503	VJPWAOUOXKLXNB-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123895
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CCCCC1)S(=O)C	SCHEMBL10903500,PC-id_20235079	399.503	KNYUEISUNDWNCX-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123896
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)CCCCC)cc1	PC-id_7238814	399.503	YYLNPSJDVZQMCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123897
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc(OCCCC)cc1)C(=O)OC	PC-id_1652457	399.503	PRLVKRNEXKPVME-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123898
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OCCC)cccc1)C(=O)OCC	PC-id_1641896	399.503	URLHIPLOWKHGPT-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123899
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OCCCC)cccc1)C(=O)OC	PC-id_1701833	399.503	HELZUQZLNMWAAK-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123900
c1(c2CCCc2sc1NC(=O)CNCC=C)C(=O)Nc1ccc(cc1)OCC	ZINC22_4553407,PC-id_3779792,MCULE-5387653260,CoCoCo_6728241,EMOLS-id_2783524,TIMTEC446429	399.506	SFRSCMOUTHONPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123901
c1(NC(=O)CN2CCCC2c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	SYN-22931948,MCULE-5237250811,PC-id_46976989,EMOLS-id_30449135	399.506	NFJCKRVSQYTFOH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123902
c1(NC(=O)CN2CCN(CC2)c2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_22198354,SPECS-id_AO-476/43417558,EMOLS-id_30081364,ZINC22_14195041,CoCoCo_6964938,MCULE-4122631500,CoCoCo_6964937	399.506	DOHXTTZOCFGYSH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123903
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCC)sc2CCCc2c1C#N	MCULE-5632772031,EMOLS-id_331628996	399.506	TVDIIZZJMZVBOP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123904
c1(NC(=O)COc2cn(c(cc2=O)C)CCC(C)C)sc2CCCc2c1C#N	MCULE-5796256090,EMOLS-id_331632578	399.506	KGIJCRDNLOEMMC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-123905
c1(NC(=O)NN=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-2860045655,PC-id_19168823	399.506	BLGMHRPGLCMTFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123906
Cc1ccc(c(c1)C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109605	399.506	FBQFYLYKUOVQQU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123907
Cc1cc(ccc1C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109606	399.506	MIIBOIBTQFZKNV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123908
Cc1cccc(c1)CS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109631	399.506	NNVFIOYTADQHEZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123909
Cc1ccc(cc1)CS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109653	399.506	XOCDMBCVJWELJW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123910
Cc1ccc(C)c(c1)S(=O)(=O)N(Cc1ccco1)Cc1nn(C)c2CCCc12	EMOLS-id_50145280,MCULE-2757275792,PC-id_86266554	399.506	YOFYIDNOJKUGLC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-123911
CCOc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1O	EMOLS-id_324905990	399.506	FDGSJZYDBYZIJK-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123912
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCC2	MCULE-2151603476,EMOLS-id_3597478,CoCoCo_3184375,PC-id_9303843,ZINC22_8170892	399.506	YNNMSJQVYZRWIK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123913
COc1ccc(cc1)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)N1CCCCCC1	CoCoCo_5124854,PC-id_41007032	399.506	LRKHLOVUYNSRNG-MRXNPFEDSA-N	00000010100000110101000010000000000000000000000000000000	25-01-123914
COc1ccc(cc1)C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)N1CCCCCC1	PC-id_41007030,CoCoCo_5124855	399.506	LRKHLOVUYNSRNG-INIZCTEOSA-N	00000010100000110101000010000000000000000000000000000000	25-01-123915
COc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1OC	EMOLS-id_324904451	399.506	QYNOZGWVRZLIAM-AQTBWJFISA-N	00000000100010110001000010000000000000000000000000000000	25-01-123916
COc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1OC	EMOLS-id_324903943	399.506	RMLTXCWIBSTWNB-LGMDPLHJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123917
COc1ccc([C@H]2CCCN2CC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	CoCoCo_505857,CoCoCo_505859,ZINC22_19715555,PC-id_92626477	399.506	NFJCKRVSQYTFOH-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123918
COc1ccc([C@@H]2CCCN2CC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_92626476,CoCoCo_505856,ZINC22_19715554,CoCoCo_505858	399.506	NFJCKRVSQYTFOH-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-123919
COc1ccc(OC)c(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1	EMOLS-id_324904455	399.506	MSFQRUUKNSIRPW-AQTBWJFISA-N	00000000100010110001000010000000000000000000000000000000	25-01-123920
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CCC1CCCCC1	MCULE-8110062420	399.506	MSFQRUUKNSIRPW-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123921
n12ncnc1sc(=Cc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)OC(=O)C)c2=O	MCULE-5500088854	399.506	ATFGLVGUBGHSEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-123922
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCC1CCCCC1	MCULE-1121160600	399.506	RMLTXCWIBSTWNB-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123923
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCC1CCCCC1	MCULE-8230328600	399.506	FDGSJZYDBYZIJK-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123924
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CCC1CCCCC1	MCULE-9531660254	399.506	QYNOZGWVRZLIAM-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123925
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CCC1CCCCC1	MCULE-2032327439	399.506	SZPMBGQURVCASR-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-123926
s1c2CCCc2c(c1NC(=O)CCN(Cc1cc(OC)c(OC)cc1)C)C#N	PC-id_24589013	399.506	WECXJOWEXDIBIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123927
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(OC)cc(OC)cc1)C)C#N	PC-id_24589027	399.506	HRBJJPGKSBBQIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123928
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(OC)c(OC)ccc1)C)C#N	PC-id_24589050	399.506	SXZZJBSPNRXYCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123929
s1c2c(CCC2)c(c1NC(=O)CCN(CC1OCCC1)Cc1occc1)C#N	PC-id_48095380	399.506	WQARXNWJEMPATB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-123930
s1c2c(CCC2)c(c1NC(=O)CCN(C[C@H]1OCCC1)Cc1occc1)C#N	PC-id_52759194	399.506	WQARXNWJEMPATB-INIZCTEOSA-N	00000010101000000000000010000000000000000000000000000000	25-01-123931
s1c2c(CCC2)c(c1NC(=O)CCN(C[C@@H]1OCCC1)Cc1occc1)C#N	PC-id_52759196	399.506	WQARXNWJEMPATB-MRXNPFEDSA-N	00000010101000000000000010000000000000000000000000000000	25-01-123932
s1c2CCCc2c(c1NC(=O)CN(Cc1c(cc(OC)c(OC)c1)C)C)C#N	PC-id_8551052	399.506	VHWLRHSQTLGRTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123933
s1c2CCCc2c(c1NC(=O)CN(Cc1cc(OC)c(OCC)cc1)C)C#N	PC-id_2656848	399.506	QOLMSTXPIPBUGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123934
s1c2CCCc2nc1NC(=O)C1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_75909891	399.506	PRPWLOKYNZADIK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123935
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCCCC1	PC-id_16947813	399.506	LRKHLOVUYNSRNG-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-123936
s1c2CCCc2nc1NC(=O)[C@H]1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_52722623	399.506	PRPWLOKYNZADIK-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123937
s1c2CCCc2nc1NC(=O)[C@@H]1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_52722624	399.506	PRPWLOKYNZADIK-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123938
s1c2c(nc1NC(=O)c1ccc(OC)cc1)C(CC2)C(=O)N1CC(CCC1)C	PC-id_16947816	399.506	BZZFLNGUZYXJAW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123939
s1c2c(nc1NC(=O)c1ccc(OC)cc1)C(CC2)C(=O)N1CCC(CC1)C	PC-id_16947817	399.506	HLBNSSHVYJMNKS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123940
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1cccc(C)c1	TIMTEC49695,TIMTEC489633,SPECS-id_AN-462/40805244,ZINC22_19871524,MCULE-4352696906,PC-id_4209085,EMOLS-id_2785852,CoCoCo_6724281	399.507	UVWZGRZIWLKXKN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123941
c1(NC(=O)CCNC(=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4099641652,EMOLS-id_334334113	399.507	RYSZXZBOGKNPDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123942
CCOc1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)ccc1O	EMOLS-id_324905987	399.507	SZPMBGQURVCASR-AQTBWJFISA-N	00000000100010110001000010000000000000000000000000000000	25-01-123943
O=C(c1sc2c(c1)CCC2)N1CCC(CC1)Oc1ccc(cn1)C(=O)N(C)C	EMOLS-id_318964019	399.507	GAUNEVZWGCNBPP-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-123944
s1c2CCC(C(=O)NC3CCCCC3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_16947843	399.507	OYYPCZAADQTBND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123945
c1(NC(=O)C(=O)NCCN(CC)CC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_8700743,ZINC22_7597595,ChEMBL-DNDi_CHEMBLF2820-0713,EMOLS-id_5625820,MCULE-7151177169,CoCoCo_5190609	399.508	BCNPUNUVVZLOAF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-123946
CCCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1C	PC-id_91959919	399.508	MMVHKDHWZLPFDG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123947
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ncc(c2ccccc2)s1	MCULE-6001337263,EMOLS-id_328223353	399.508	JQHOVUZBRMGIEI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123948
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1scc(c2ccccc2)n1	EMOLS-id_328224632,MCULE-9086790951	399.508	SAPXHIDOQDOWBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-123949
s1c2CCCc2cc1C(=O)NNC(=O)CN(S(=O)(=O)c1sccc1)C	PC-id_27684613	399.508	ZOBVFODYKQGBMG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-123950
c
(=N/C(=O)C(C)NC(=O)N2CCN(CC2)c2ccccc2)/sc2c(CCC2)[nH]1	PC-id_53370548,EMOLS-id_46561487,MCULE-1306101536	399.51	PHJQQYQIRGYSPQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123951
c
(=N/C(=O)CNC(=O)N2CCN(CC2)Cc2ccccc2)/sc2c(CCC2)[nH]1	EMOLS-id_44213572,STOCK7S-35151,ZINC22_79493779,MCULE-6013029246,PC-id_60180925,EMOLS-id_46567305	399.51	XNHAFUCONSJBAX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123952
c1(sc2c(CCC2)n1)NC(=O)[C@H](C)NC(=O)N1CCN(CC1)c1ccccc1	ZINC22_61720711,MCULE-2691428114,STOCK7S-15242,EMOLS-id_35788700,PC-id_52901330	399.51	PHJQQYQIRGYSPQ-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123953
Cc1cc(CN2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)no1	EMOLS-id_23976733,CoCoCo_4467956,CoCoCo_4467957,MCULE-4762312074,ZINC22_32870866,PC-id_40105240	399.51	WXCBMRXFABVYEF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123954
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)c1ccccn1	MCULE-7372846016,EMOLS-id_11819994,PC-id_16370014	399.51	KIXNXMSYVSEJIK-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-123955
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(c2ccccn2)CC1	ZINC22_23805857,CoCoCo_4225233,PC-id_9459384,CoCoCo_4225234	399.51	KIXNXMSYVSEJIK-CYBMUJFWSA-N	00000010100010101001100010000000000000000000000000000000	25-01-123956
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(c2ccccn2)CC1	ZINC22_23805858,CoCoCo_4225232,CoCoCo_4225231,PC-id_9459382	399.51	KIXNXMSYVSEJIK-ZDUSSCGKSA-N	00000010100010101001100010000000000000000000000000000000	25-01-123957
C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nc2c(s1)CCC2	PC-id_95395574,ZINC22_71334673	399.51	PHJQQYQIRGYSPQ-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123958
N#Cc1c(NC(=O)C(N2CCN(CC2)Cc2onc(c2)C)C)sc2c1CCC2	EMOLS-id_98876853	399.51	JRFQHMSYDBUSIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-123959
O=C(Nc1sc2c(n1)CCC2)CN1CCC(CC1)C(=O)Nc1ccc(cn1)C	PC-id_99584800	399.51	XCWOTHHTXLHTTR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-123960
O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCC2)c1csc(C2CC2)n1	ZINC22_1875310661,EMOLS-id_324022850,PC-id_145899086,MCULE-6311454351	399.51	XQPDYKUHKNHGGR-HUUCEWRRSA-N	00100010100010000001100010000000000000000000000000000000	25-01-123961
Cc1nc2scc(C)n2c1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324833020	399.513	FFHWYSGEQPMZFN-QPEQYQDCSA-N	00000000100100000001000110000000000000000000000000000000	25-01-123962
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)Cc1cccs1	MCULE-7069110761	399.513	FFHWYSGEQPMZFN-UHFFFAOYSA-N	00000000100100000001000110000000000000000000000000000000	25-01-123963
CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc2CCCc2s1	PD106346,CHEBI:119947,EMOLS-id_3385465,CHEMBL1577661,PC-id_2998734,SCHEMBL3418497,MCULE-6370866816,BindingDB-id_75182,BindingDB_PC-id_2998734	399.525	RDUQAOLDJRZPCF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123964
CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1	CoCoCo_2840890,PC-id_6600332,ZINC22_4165701	399.525	RDUQAOLDJRZPCF-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123965
CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1	PC-id_2547069,ZINC22_3427638,CoCoCo_2840891	399.525	RDUQAOLDJRZPCF-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123966
S1(=O)(=O)C[C@H](N([C@@H](CC)C)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_7238887	399.525	XDEQDTQQNIARFB-TZMCWYRMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123967
S1(=O)(=O)C[C@H](N([C@H](CC)C)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_7238888	399.525	XDEQDTQQNIARFB-GXTWGEPZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123968
S1(=O)(=O)C[C@@H](N([C@@H](CC)C)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_7238889	399.525	XDEQDTQQNIARFB-OCCSQVGLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123969
S1(=O)(=O)C[C@@H](N([C@H](CC)C)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_7238892	399.525	XDEQDTQQNIARFB-JSGCOSHPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123970
S1(=O)(=O)CC(N(C(CC)C)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_16505635	399.525	XDEQDTQQNIARFB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-123971
Cc1cccc(c1)N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3927007126,EMOLS-id_328341651	399.528	UGZZCDIGVFNPTQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-123972
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)Cc1ccccc1	EMOLS-id_328341139,MCULE-2475346517	399.528	FFPWZBQWVNSZSP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-123973
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)N1CCCCC1	EMOLS-id_328219512,MCULE-9271021421	399.528	IPVKMVBCGJGKDZ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-123974
c1(NC(=S)NC(=O)c2ccc(cc2)OCCCC)sc2c(CCC2)c1C#N	EMOLS-id_1703020,PC-id_3475331,CoCoCo_6153794,MCULE-5203029121,ZINC22_4699733	399.53	JMADXLJUGXISQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123975
CC[C@H](Cn1nc(c2cccs2)ccc1=O)NC(=O)c1cc2c(s1)CCC2	MCULE-4741411291,PC-id_46959016,EMOLS-id_25836381,CoCoCo_460415,SYN-12252130,ZINC22_12144937	399.53	PNOKNJDDKATSGF-CQSZACIVSA-N	00000010100100100001100010000000000000000000000000000000	25-01-123976
CC[C@@H](Cn1nc(ccc1=O)c1cccs1)NC(=O)c1sc2c(c1)CCC2	CoCoCo_460416	399.53	PNOKNJDDKATSGF-AWEZNQCLSA-N	00000010100100100001100010000000000000000000000000000000	25-01-123977
n1c(CNC(=O)C2CCCN(C3CCN(CC3)C(=O)C3CC3)C2)c2c(CCC2)[nH]1	MCULE-4464716251,PC-id_56871840,EMOLS-id_43190569	399.53	XEESADNFQHGBFC-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-123978
O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1	ZINC22_71750030,PC-id_95551819	399.53	XEESADNFQHGBFC-MRXNPFEDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-123979
O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1	ZINC22_71750031,PC-id_95551820	399.53	XEESADNFQHGBFC-INIZCTEOSA-N	00100010100010000001100010000000000000000000000000000000	25-01-123980
s1c2CCCc2cc1C(=O)NC(Cn1nc(ccc1=O)c1sccc1)CC	PC-id_75260771	399.53	PNOKNJDDKATSGF-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-123981
s1c2CCCc2cc1C(=O)NNC(=O)CC[NH+]1CCN(CC1)c1ccccc1	PC-id_9270630	399.53	KUVHAANVFCFYOA-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-123982
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ccccc1)C)C(=O)N	PC-id_9250259	399.53	BDAMWTCEWRFXOY-AWEZNQCLSA-O	00000010100010110001100010000000000000000000000000000000	25-01-123983
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ccccc1)C)C(=O)N	PC-id_9250261	399.53	BDAMWTCEWRFXOY-CQSZACIVSA-O	00000010100010110001100010000000000000000000000000000000	25-01-123984
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH2+]CC1)C(=O)Nc1ccc(cc1)C	PC-id_28414704	399.53	IKPJEYYNSZXJRG-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-123985
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1ccccc1)C(=O)N	PC-id_51613225	399.53	UTPUABNGYCUBFC-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-123986
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ccccc1)C)C(=O)N	PC-id_84963532	399.53	BDAMWTCEWRFXOY-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-123987
s1c2c(CCC2)c(c1NC(=O)N1CC[NH+](CC1)CCc1ccccc1)C(=O)N	PC-id_41009512	399.53	ZQQPIZJCWMNBPY-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-123988
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OC(CC)C)cc1)C#N	PC-id_17141639	399.53	YUXBJJQBRAFPML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123989
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1)C#N	PC-id_4955523	399.53	NKPLCYPBEUVLAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123990
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OCC(C)C)ccc1)C#N	PC-id_17140675	399.53	TYQNKLKUUAAVSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123991
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OC(CC)C)ccc1)C#N	PC-id_17150130	399.53	VJUVPOYFKRRSSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123992
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OCCCC)ccc1)C#N	PC-id_4957153	399.53	CYUJEJIPZABVPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123993
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCCCC)cccc1)C#N	PC-id_4955525	399.53	OCLFJQNFYRHEAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123994
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCC(C)C)cccc1)C#N	PC-id_4955528	399.53	FLMGWQDWZPBXSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-123995
s1c(NC(=O)[C@@H]([NH+]2C[C@@H](Nc3ccccc3)CC2)C)c(c2c1CCC2)C(=O)N	PC-id_52872660	399.53	SYPRKUYTXVSHLN-ZFWWWQNUSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123996
s1c(NC(=O)[C@H]([NH+]2C[C@@H](Nc3ccccc3)CC2)C)c(c2c1CCC2)C(=O)N	PC-id_52872662	399.53	SYPRKUYTXVSHLN-HIFRSBDPSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123997
s1c(NC(=O)C([NH+]2CC(Nc3ccccc3)CC2)C)c(c2c1CCC2)C(=O)N	PC-id_75948638	399.53	SYPRKUYTXVSHLN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-123998
c1(NC2CCCC2)c(cnc(SC)n1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6316374565,EMOLS-id_328013827	399.533	IXNTZUMCNZIFCO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-123999
c1(NC(=O)CCc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-5981471944,PC-id_19221202	399.546	MAZXPSGQHNGMEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124000
s1c2c(CCC2)c(c1NC(=O)C(c1ccc(CC(C)C)cc1)C)C(=O)OCC	PC-id_54782065	399.546	RTNFLGAONYWEDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124001
Cc1cccc(c1)CC1(O)CCN(CC1)C(=O)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102008832	399.55	WCRDBFGLZYWDPL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124002
Cc1ccc(cc1)/C=C/S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_117054888	399.55	DJFNKPQVEBKXCT-CCEZHUSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124003
Cc1ccc(cc1)C=CS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110050	399.55	DJFNKPQVEBKXCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124004
CC[C@H](c1ccccc1)NC(c1cc(c2n1CSC2)C(=O)N1CCC[C@@H]1C)O	SCHEMBL19841815,PC-id_134233411	399.55	UGVVYCDLKHULSU-WTCNWRFRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124005
s1c2CCCc2cc1C(=O)NCCCN1CCN(CC1)c1ccc(OC)cc1	PC-id_39990888	399.55	SARNQQYXEVAUIC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124006
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1ccc(C(C)C)cc1)C)C)C(=O)N	PC-id_40761086	399.55	VGMFGDABYXXJPK-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124007
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1ccc(C(C)C)cc1)C)C)C(=O)N	PC-id_40761088	399.55	VGMFGDABYXXJPK-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124008
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1ccc(C(C)C)cc1)C)C)C(=O)N	PC-id_74719423	399.55	VGMFGDABYXXJPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124009
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(C(C)(C)C)cc1)C)C(=O)N	PC-id_8908745	399.55	LVXBILVWQKXHPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124010
s1c2c(CCC2)c(c1NC(=O)CNC(C(C)C)c1ccc(cc1)CC)C(=O)N	PC-id_84894835	399.55	TWDROVQDSRHDGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124011
s1c2c(CCC2)c(c1NC(=O)CN[C@H](C(C)C)c1ccc(cc1)CC)C(=O)N	PC-id_8992148	399.55	TWDROVQDSRHDGJ-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124012
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](C(C)C)c1ccc(cc1)CC)C(=O)N	PC-id_8992151	399.55	TWDROVQDSRHDGJ-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124013
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(OCCCC)cc1	PC-id_44060364	399.55	DHXIOUIUFCJDFH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124014
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1ccc(C(C)C)cc1	PC-id_44060314	399.55	AGOBVFAXOPNXHT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124015
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N(CC(C)C)CC(C)C	PC-id_16947016	399.55	AWGUOTMXLSZOES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124016
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCCCCCCC	PC-id_16947145	399.55	IDTOHJPPWQDQEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124017
O=C(NCCCCCCCCCCCCCCCC)C1c2n(nnc2)C=C1C#N	PC-id_85753944	399.573	DCUHVHILYIMOQS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-124018
c12CN(Cc1sc(I)c2CCl)C(=O)OC(C)(C)C	MCULE-1795100961,EMOLS-id_331067173	399.675	ZFSOWZMTYCBNLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124019
Brc1cc(C(=O)NNC(=O)c2sc3CCCc3c2)c(Cl)cc1	PC-id_26872782	399.69	NWEZNDRDGWHUNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124020
c1(NC(=O)c2cc(Br)ccc2Cl)sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL7490035,SPECS-id_AN-153/I282109,ZINC22_724774,TIMTEC36569,SPECS-id_AG-670/41728615,CoCoCo_936187,MCULE-6884695760,PC-id_1048358,EMOLS-id_2215010	399.69	XNADAXNKXFHWKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124021
c1(NC(NC(=O)CC)C(Cl)(Cl)Cl)sc2c(CCC2)c1C(=O)OC	BAS-00354925,TIMTEC382444,PC-id_3101964,ChEMBL-DNDi_CHEMBL1322429,EMOLS-id_639202,SPECS-id_AT-225/NB93169,MCULE-1174973118,CHEMBL1322429	399.72	PMIZCUVHXLDFAL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124022
CCC(=O)N[C@H](Nc1sc2c(c1C(=O)OC)CCC2)C(Cl)(Cl)Cl	ZINC22_4611119,PC-id_7302324,CoCoCo_49050	399.72	PMIZCUVHXLDFAL-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124023
CCC(=O)N[C@@H](Nc1sc2c(c1C(=O)OC)CCC2)C(Cl)(Cl)Cl	ZINC22_4611120,PC-id_7302325,CoCoCo_49051	399.72	PMIZCUVHXLDFAL-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124024
ClC(Cl)(Cl)C(Nc1sc2c(CCC2)c1C(=O)OCC)NC(=O)C	PC-id_5005757	399.72	AIVCBGOHDDSDDW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124025
Brc1sc(S(=O)(=O)Nc2sc3CCCc3n2)cc1Cl	PC-id_80130775	399.735	BYLMHOMKGSLFIV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-124026
Clc1cc(cnc1N1CCC(C1)NC(=O)c1cnn2c1CCC2)C(F)(F)F	MCULE-6403641390,EMOLS-id_316150818	399.798	AOTOXILVENCKLT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-124027
Clc1cc(cnc1N1CCC(C1)NC(=O)c1n[nH]c2c1CCC2)C(F)(F)F	EMOLS-id_99854369	399.798	ATFFWTLIPPYFGR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-124028
O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cnn2c1CCC2	ZINC22_574010110	399.798	AOTOXILVENCKLT-LLVKDONJSA-N	00000010100000101001100010000000000000000000000000000000	25-01-124029
O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cnn2c1CCC2	ZINC22_574010111	399.798	AOTOXILVENCKLT-NSHDSACASA-N	00000010100000101001100010000000000000000000000000000000	25-01-124030
O=C(Nc1onc(c1)c1cccc(c1)Cl)CCC(=O)N1CCc2n1c(C)cn2	SCHEMBL16826002,PC-id_118165409	399.831	ZZCWTWWKXMZNGL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124031
O=C(Nc1onc(c1)c1cccc(c1)Cl)CCC(=O)N1CCn2c1cc(n2)C	PC-id_118165408,SCHEMBL16826001	399.831	ZGUQZKJBMVVFLG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124032
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc(cc1)C(=O)[O-]	PC-id_25612368	399.849	XSNOGMPREFWNGK-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-124033
COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cnc2n1CCC2	ZINC22_850917986	399.849	PSYIZZUNQBGJJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124034
Cc1ccc(OCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324867083	399.851	KVWLILVNQBULCK-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124035
Cc1ccc(O)c(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324883978	399.851	ZFSKJKFJKHQTHS-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124036
Cc1ccc(O)c(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324842239	399.851	DKESRTFAXKZLCP-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124037
COc1ccccc1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324884997	399.851	KTCGWQRCEPYSHR-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124038
COc1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324843258	399.851	YHEIRYFFGVSALG-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124039
COc1ccccc1OCc1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324867086	399.851	MWNKIKKSJDARAO-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124040
COc1ccccc1OCc1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324866060	399.851	GRMVONFMIWIZRM-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124041
COc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324883460	399.851	NFDNCBVENATPJH-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124042
COc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324841721	399.851	VXSOEOZPWYMJPK-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124043
COc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324886021	399.851	QJXNZLFQILFVST-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124044
COc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324844282	399.851	VFTFGFGUATUZIO-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124045
COc1cccc(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)c1	EMOLS-id_324877312	399.851	VFKOQNISSNNUSE-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124046
COc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)c1	EMOLS-id_324872206	399.851	MVTSYUILVJRXGC-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124047
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1ccccc1OC	MCULE-8087162283	399.851	MWNKIKKSJDARAO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124048
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)COc1cccc(OC)c1	MCULE-4521177416	399.851	MVTSYUILVJRXGC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124049
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1cccc(OC)c1	MCULE-8827998322	399.851	VFKOQNISSNNUSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124050
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1ccccc1Cl	MCULE-5114797699	399.851	KTCGWQRCEPYSHR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124051
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1ccccc1Cl	MCULE-5929457619	399.851	ZFSKJKFJKHQTHS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124052
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)COc1ccccc1Cl	MCULE-6471135076	399.851	NFDNCBVENATPJH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124053
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1ccc(Cl)cc1	MCULE-3720930572	399.851	DKESRTFAXKZLCP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124054
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1ccc(Cl)cc1	MCULE-4408491822	399.851	YHEIRYFFGVSALG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124055
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)COc1ccc(Cl)cc1	MCULE-6900485199	399.851	VXSOEOZPWYMJPK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124056
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1ccccc1OC	MCULE-1518158267	399.851	GRMVONFMIWIZRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124057
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1ccccc1Cl	MCULE-3631503199	399.851	QJXNZLFQILFVST-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124058
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-7312612422	399.851	VFTFGFGUATUZIO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124059
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)CCOc1ccccc1	MCULE-7865361172	399.851	PKACYZDIPMXHML-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124060
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1ccc(cc1)C	MCULE-6244519249	399.851	KVWLILVNQBULCK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124061
Oc1ccc(Cl)cc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324852978	399.851	PKACYZDIPMXHML-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124062
Clc1c(n2cccc2)cc(OC)c(C(=O)Nc2nc3SCCn3c2C#N)c1	PC-id_60323982	399.854	NRQYLORFJMCMFO-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-124063
Cc1ccc(CCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324902927	399.869	KGCDPCSIQFQPND-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124064
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CCc1ccc(cc1)C	MCULE-9359652411	399.869	KGCDPCSIQFQPND-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124065
Clc1ccc(cc1)OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109384	399.871	AUKNOURKFJXPGR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124066
Clc1cc(C#C[C@@]2(O)C[C@@H](NC(=O)Oc3n[nH]c4c3CCC4)CCC2)ccc1	SCHEMBL3374404,PC-id_68617945	399.871	LHFGDVDQTVBIMY-HRAATJIYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124067
COc1ccc(cc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cl	PC-id_92109370	399.871	ZWPSFQKGXLZVRA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124068
c1(NC(=O)CCCNS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-7105920477,EMOLS-id_323451716	399.915	RQKZRYZGVZHRBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124069
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)C1CCOCC1	SCHEMBL17397886,PC-id_118628182	399.915	YQODHZIKKHZGQL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-124070
Clc1sc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_28024584	399.935	IQNXXMAYTOUBLR-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-124071
O=C(NC1CCc2c1cc(s2)Cl)NCC1(CCOCC1)N1CCOCC1	EMOLS-id_316184364,MCULE-1684662955	399.935	RFICWRQGTNLYLG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-124072
O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CCc2sc(Cl)cc12	ZINC22_574656427	399.935	RFICWRQGTNLYLG-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-124073
O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CCc2sc(Cl)cc12	ZINC22_574656428	399.935	RFICWRQGTNLYLG-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-124074
Clc1ccc(s1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110021	399.958	QAXZBTMWIAATMB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-124075
BrC(CCC(=O)c1occ2c1CS(=O)(=O)C2)CBr	PC-id_11729065	400.084	OLEVYUUCNBVMTF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124076
CC1=C(SC(=N1)OC)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164871986	400.088	CAHQSSJDWWFOSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124077
CC1=C(SC(=O)N1C)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872170	400.088	GHWRSVQVBZWXFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124078
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2Br)c1	EMOLS-id_331016107,MCULE-4020627944	400.108	NFDQKWRWCQMJTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124079
COc1ccc(Br)c(Cn2nc(Br)c3C(C)CCc23)c1	MCULE-6386767605,EMOLS-id_330968574	400.108	PYEDWTLEIJUZIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124080
COc1ccc(Cn2nc3CCC(C)c3c2Br)c(Br)c1	EMOLS-id_331016363,MCULE-2911500746	400.108	RBGVHWWZFHTHFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124081
COc1ccc(Cn2nc(Br)c3C(C)CCc23)c(Br)c1	MCULE-6535382496,EMOLS-id_330968830	400.108	CSYFENIRNHNBRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124082
CC(c1nnc2n1CCC2)NCc1ccc(c(c1)Br)Br	PC-id_115693025	400.112	LXKOZMMUPFQBAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124083
CCCCCCN1C(=O)c2c(C1=O)c(sc2)[Sn](C)(C)C	PC-id_90323742,SCHEMBL15929341	400.115	PLKITEJFXFQWRY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124084
Brc1cc(CC2Cc3sc(cc3C2=O)C)ccc1Br	SCHEMBL13104451,PC-id_20739747	400.128	WYVDYYJYFNKIMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124085
Brc1c(C(=O)c2sc3CCCc3c2)cc(Br)c(c1)C	PC-id_81472754	400.128	YYRLJZXBABMYEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124086
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)F)C	PC-id_164608911	400.151	SIZHRUNHCQCCRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124087
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)F)C	PC-id_164624278	400.151	AVCLYDGYOCAABM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124088
CC1(C2=C(CN1CC3=CC(=C(C(=C3)F)F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164615107	400.151	NRBAZPFPAUEWEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124089
CC1(C2=C(CN1CC3=C(C(=C(C=C3)F)F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_165389123	400.151	KCZLLHGYMOBGPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124090
BrC(c1sc2c(CCC2)c1)c1c(cc(Br)c(c1)C)C	PC-id_64185026	400.171	FYBFBXBJNDPXMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124091
Ic1ccc(cc1)NCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL3198082,PC-id_68546506	400.172	YVYHBOANKXBJQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124092
c1(C(=O)O)c2C(C)CCc2n(Cc2c(cccc2F)I)n1	EMOLS-id_330988531,MCULE-6940364667	400.187	CPNGYQFUYHMVEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124093
c1(C(=O)O)c2C(C)CCc2n(Cc2cc(F)ccc2I)n1	MCULE-4350408849,EMOLS-id_330988787	400.187	FWPJEDOWIHCMBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124094
c1(C(=O)O)c2C(C)CCc2nn1Cc1cc(F)ccc1I	EMOLS-id_330967743,MCULE-2215692499	400.187	KMJBQSLDINHRAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124095
CC1CCc2nn(Cc3c(F)cccc3I)c(C(=O)O)c12	EMOLS-id_330967487,MCULE-6269975328	400.187	CKQBFHMGHVQHLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124096
CO[C@@H](C(N1Cc2c(C1)c(n[nH]2)NI)O)c1ccccc1	SCHEMBL18814374	400.215	ZQBJLCABNONWTK-PUODRLBUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124097
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)OCCF	EMOLS-id_330978297,MCULE-6431415422	400.23	FJJSFVJORKCYFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124098
CC1CCc2nn(Cc3ccc(OCCF)cc3)c(I)c12	MCULE-7464506591,EMOLS-id_330962357	400.23	RGTCTCPHOJZNBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124099
CCOc1ccc(Cn2nc3CCC(C)c3c2I)cc1F	EMOLS-id_330962101,MCULE-1799948084	400.23	FNFZCXQRFJGGFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124100
CCOc1ccc(Cn2nc3CCC(C)c3c2I)c(F)c1	EMOLS-id_330962613,MCULE-2492454705	400.23	PHDDITZEFIPQLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124101
CCOc1ccc(Cn2nc(I)c3C(C)CCc23)cc1F	EMOLS-id_330978041,MCULE-8027243017	400.23	WFYCTACKSMKUGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124102
CCOc1ccc(Cn2nc(I)c3C(C)CCc23)c(F)c1	MCULE-6344270644,EMOLS-id_330978553	400.23	OISZFWYTEWBEJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124103
COc1cc(ccc1F)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330961343,MCULE-5369966249	400.23	PYHHIKUNIXEZSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124104
COc1ccc(cc1F)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330963132,MCULE-8401653882	400.23	WVCTYTQMENFLIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124105
COc1cccc(C(C)n2nc3CCC(C)c3c2I)c1F	MCULE-3369815778,EMOLS-id_330961855	400.23	DAHPAIURXSAWCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124106
COc1ccc(C(C)n2nc3CCC(C)c3c2I)c(F)c1	MCULE-1492532492,EMOLS-id_330962876	400.23	FAXCXHOWLGGOCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124107
COc1cccc(F)c1C(C)n1nc2CCC(C)c2c1I	MCULE-6730499072,EMOLS-id_330966448	400.23	QQAQAMLKUVSDMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124108
COc1ccc(F)cc1C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330966192,MCULE-4989251717	400.23	TVGGPJKKGMKKLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124109
COc1cc(F)cc(c1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330961599,MCULE-4283088504	400.23	UQWMQGPUJSDGQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124110
COc1cc(F)ccc1C(C)n1nc2CCC(C)c2c1I	MCULE-5658483054,EMOLS-id_330964413	400.23	XCEWCMHMLWHXOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124111
Ic1ccc(OCC(=O)Nc2sc3CCCc3n2)cc1	PC-id_47117736	400.235	GOQXAZVRQCYWSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124112
Ic1cc([N+](=O)[O-])c(NCc2sc3CCCc3c2)cc1	PC-id_66065877	400.235	PYGQOCCTAJDGPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124113
Ic1c(NCc2sc3CCCc3c2)ccc([N+](=O)[O-])c1	PC-id_66093274	400.235	DRBPPAGSGINVKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124114
[O-][N+](=O)c1ccc(cc1I)NCc1sc2c(c1)CCC2	PC-id_106493171	400.235	VHDBWSCXLYIPGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124115
Ic1scc(C(=O)Nc2sc3CCCc3c2C#N)c1	PC-id_78948687	400.258	IFWAACADEUMZIL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-124116
Brc1c(n2CCC(c2c1)C(=O)OCCC)C(=O)c1ccc(cc1)C#C	PC-id_20253915,SCHEMBL10812301	400.266	LLJSZOPBEHJCMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124117
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)OC	MCULE-5534824630,PC-id_18848623	400.276	UMNQVIAXWAQYRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124118
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	MCULE-7462419139,PC-id_19171077	400.276	YMTALVYJXCJVKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124119
CCOC(=O)c1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1C(C)OC2	SCHEMBL2162571,PC-id_24772410	400.276	KDYWPGOGWQISGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124120
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCC2	ZINC22_5355313,PC-id_4348304	400.276	VFSMEYVXRKTNLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124121
Clc1cccc(c1/C=c/1sc2n(c1=O)nc(n2)/C=C/c1ccccc1)Cl	EMOLS-id_206996961,STOCK4S-37436,ZINC22_5151074	400.281	BAJHBSUQGNKSHB-MDHDVOIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124122
Clc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1Cl	ZINC22_27021529,EMOLS-id_45970098	400.281	NTIJGZUQYUZSIN-SZFVZERQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124123
Clc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c(Cl)c1	EMOLS-id_45970100,ZINC22_27021535	400.281	TWZNLPYEOLMILB-RKQKHZQPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124124
Clc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_45964765,ZINC22_16734975	400.281	NKVDQVDTOSDMKE-CRWKAAGYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124125
Clc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Cl)c4)/c(=O)n3n2)cc1	ZINC22_16734981,EMOLS-id_45964767	400.281	BDNCDWMIXRYVFM-SAEKGINCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124126
Clc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1Cl	EMOLS-id_324918537	400.281	GUBXZFHIKDZDEM-RKVFCIRRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124127
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)C=Cc1ccc(cc1)Cl	MCULE-6515061758	400.281	NKVDQVDTOSDMKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124128
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8681564990	400.281	OUHJOEYQIOYWAU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124129
n12nc(nc1sc(=Cc1c(cccc1Cl)Cl)c2=O)C=Cc1ccccc1	MCULE-4127967470	400.281	BAJHBSUQGNKSHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124130
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)C=Cc1ccccc1	MCULE-9422941772	400.281	TWZNLPYEOLMILB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124131
n12nc(nc1sc(=Cc1cccc(Cl)c1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2490688514	400.281	BDNCDWMIXRYVFM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124132
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)C=Cc1ccccc1	MCULE-1891319879	400.281	GUBXZFHIKDZDEM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124133
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)C=Cc1ccccc1	MCULE-8680557030	400.281	NTIJGZUQYUZSIN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124134
O=c1/c(=Cc2ccc(Cl)cc2Cl)/sc2nc(/C=C/c3ccccc3)nn12	ZINC22_16779400	400.281	TWZNLPYEOLMILB-FYGXEABWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124135
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1ncc(s1)C=C(CCl)Cl	SCHEMBL2696540,PC-id_87424205	400.283	AXSIBBMUBNPTFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124136
ClC/C(=Cc1cnc(s1)NC(=O)Cn1cnc2c1C(=O)C(N2C)C)/Cl	SCHEMBL2696535	400.283	AXSIBBMUBNPTFV-YCRREMRBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124137
ClC/C(=C/c1cnc(s1)NC(=O)Cn1cnc2c1C(=O)C(N2C)C)/Cl	SCHEMBL2696537	400.283	AXSIBBMUBNPTFV-OQFOIZHKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124138
COc1c(ccc(c1)OC(F)(F)F)C(=O)NCc1nnc2n1C(CC2)C(=O)O	PC-id_134789871	400.309	GFKSALITHILPKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124139
c1(NC(=O)c2ccc(Br)s2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_4968470,MCULE-4422050503,EMOLS-id_5421314,PC-id_4413902,ZINC22_4070208,ChEMBL-DNDi_CHEMBLF0161-0421	400.311	FRCHFGTUNADHSP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-124140
c1(NC(=O)COc2ccc(cc2Cl)Cl)c2CSCc2nn1C(C)(C)C	CoCoCo_4972743,EMOLS-id_5426405,MCULE-6194452482,PC-id_4526518,ZINC22_4077294	400.323	MTTZDIMXYSODPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124141
C=CSC(=C)c1sc(c2c1C(=O)NC2=O)C(=C)SC(=C)Br	PC-id_144761749	400.334	BBKAYBPKVXBTQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124142
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CNCc23)c(c1F)C(F)(F)F	BindingDB_PC-id_118483353,PC-id_118483353,BindingDB-id_435248,SCHEMBL17222933	400.346	RPHMYDAWGOVIJU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124143
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCOc1ccc(cc1)C(F)(F)F	PC-id_69481378,SCHEMBL5542549	400.352	AFJQSXKNPFBCDB-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124144
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCOc1ccc(cc1)C(F)(F)F	SCHEMBL5542551,PC-id_23081579	400.352	AFJQSXKNPFBCDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124145
N#Cc1nc2n(c1C)C[C@H](O2)COc1ccc(cn1)c1ccc(cc1)C(F)(F)F	PC-id_140263745	400.354	ONVMREIPARIQTK-INIZCTEOSA-N	00000010100000111001100010000000000000000000000000000000	25-01-124146
N#Cc1nc2n(c1C)CC(O2)COc1ccc(cn1)c1ccc(cc1)C(F)(F)F	PC-id_140261720	400.354	ONVMREIPARIQTK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-124147
COC(=O)c1c(NC(=O)c2ccc(OCC(F)(F)F)nc2)sc2c1CCC2	ZINC22_83891631,MCULE-7418270008,PC-id_71900013,EMOLS-id_44521419	400.372	ZZGHUZPHEKSIOM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124148
s1c2c(CCC2)c(c1NC(=O)Cn1cc(ccc1=O)C(F)(F)F)C(=O)OC	PC-id_45644688	400.372	NMCBMLZCRWKHJB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124149
s1c2c(CCC2)c(c1NC(=O)Cn1c(=O)c(ccc1)C(F)(F)F)C(=O)OC	PC-id_30657036	400.372	CELIDUAWDVKLNT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124150
s1c2CCCc2nc1NC(=O)CCNc1c([N+](=O)[O-])cc(cc1)C(F)(F)F	PC-id_46564998	400.376	ATPVGPBJRZVAON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124152
CN1CC[C@@](C1=O)(O)C#Cc1cccc(c1)NC(=O)c1n[nH]c2c1CC(C2)(F)F	PC-id_122508440,SCHEMBL18039320	400.379	IAMBBYXMJBETIU-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-124153
Fc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4occc4)c3C2)(C)C)c(F)ccc1	SCHEMBL3485168,PC-id_24948259	400.379	GCFKTUQXQZITQC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124154
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN(CC2)C(=O)O)cc1)C	PC-id_69480564,SCHEMBL5539556	400.385	ADCSUOHTHYIRKK-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-124155
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN(CC2)C(=O)O)cc1)C	SCHEMBL5539550,PC-id_69480563	400.385	ADCSUOHTHYIRKK-LJQANCHMSA-N	00000010100011110001100010000000000000000000000000000000	25-01-124156
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	PC-id_68439941,SCHEMBL2916427	400.39	MAWSAEMJOZUREE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124157
N#Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NC(=O)c1ccccc1	SCHEMBL2921343,PC-id_68441554	400.39	NHTFGKFUMLWOKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124158
FC(F)(F)Oc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-1932810309,EMOLS-id_328220021	400.394	PIEGKGYHSVKMAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124159
CN(Cc1nnc2n1CCC2)C(=O)c1ccccc1c1ccc(C(F)(F)F)cc1	ZINC22_89364936,EMOLS-id_45638363,PC-id_71940452,MCULE-5894464560	400.397	VRKJWOZOWMDQKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124160
c1(NC(=O)c2ccc(COc3ccc(cc3F)F)o2)sc2c(CCC2)c1C#N	EMOLS-id_32191811,PC-id_35525136,MCULE-1850810026,ZINC22_28228071,CoCoCo_6453784	400.399	WGAWVFYVNGLSQF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-124161
c1(NC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)n2)sc2c(CCC2)c1C#N	EMOLS-id_322527088,MCULE-6807147163	400.399	MVRPNLQIENDZOJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-124162
c12nc(sc1CN(Cc1ccccc1)C2=O)NC(=O)Nc1ccc(cc1F)F	PC-id_53188474,EMOLS-id_33030412,MCULE-8241398809	400.402	RUNOJJJZJWAILF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124163
c1(C(=O)NCc2nnc3CCCn23)c(c2ccc(c(OC)c2)F)onc1N(C)C	EMOLS-id_317340547,PC-id_135094059,ZINC22_1704315469,MCULE-1141912190	400.407	GAJDRCYNVRRSCB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124164
c1(NC(=O)COc2ccc(cc2N(=O)=O)C(=NO)C)sc2c(CCC2)c1C#N	MCULE-1298434750	400.408	RICAIWXTFPMKOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124165
C/C(=NO)/c1ccc(OCC(=O)Nc2sc3CCCc3c2C#N)c(c1)[N+](=O)[O-]	EMOLS-id_323582008	400.408	RICAIWXTFPMKOY-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124166
NC(=O)NC(=O)c1c(NC(=O)C=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCC2	PC-id_92046511	400.408	HNHCZSWKCQWWDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124167
NC(=O)NC(=O)c1c(NC(=O)C=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	PC-id_92046513	400.408	ZEXUYZDLESTVBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124168
CCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(n1C(F)(F)F)SC)C	PC-id_70410459,SCHEMBL10641554	400.415	ZFOMSFBQZDPXCI-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-124169
c1(NC(=O)c2cc(on2)c2ccc(c(F)c2)C)sc2c(CCC2)c1C(=O)OC	PC-id_35133470,ZINC22_27749634,MCULE-8822499613,CoCoCo_2261514,EMOLS-id_10114802,TIMTEC373988	400.423	PCXOLIZFJLSJNG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124170
NC(=O)c1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)sc2c1CCC2	MCULE-2572500724,EMOLS-id_3368842,PC-id_2649521,ZINC22_3533830,CoCoCo_3218653	400.423	CHJJQNYJNJZQKC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-124171
s1c2CCCc2cc1C(=O)NNC(=O)c1oc(COc2ccc(F)cc2)cc1	PC-id_24540835	400.423	IIYAEKJWQFOCBF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-124172
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1cc(F)c(OC)cc1)C#N	PC-id_78634468	400.423	PWKDWSNOMFDWIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124173
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(F)c(OC)cc1)C#N	PC-id_8215064	400.423	PWKDWSNOMFDWIL-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124174
s1c2CCCc2c(c1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1)C#N	PC-id_7967546	400.423	BOVAAEQOWVIVMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124175
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)OCCCCCCO[N+](=O)[O-]	PC-id_10453594,SCHEMBL5605295	400.425	KRFWHCBIUKYSDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124176
C1c2c(CN1S(=O)(=O)Cc1ccccc1)n(nc2)NC(=O)c1cc(ccc1)F	PC-id_90969253	400.427	KTFMUCJHYKYLMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124177
C1c2c(CN1S(=O)(=O)Cc1ccccc1)n(nc2)NC(=O)c1ccccc1F	PC-id_91180453	400.427	FTTKAVKRWNKXPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124178
c1(NC(=O)c2ccccc2F)c2CSCc2nn1CC(=O)NCc1ccco1	EMOLS-id_24913411,CoCoCo_5277691,ZINC22_23139294,PC-id_30862574,MCULE-2555359281	400.427	JCNWQHVYDSEODW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124179
c1(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c(CCC2)c1C(=O)N	TIMTEC437401,EMOLS-id_4078622,CoCoCo_6586358,PC-id_4862603,MCULE-8854650358,ZINC22_2797718	400.427	RVUHUUWTBCTTLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124180
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3F)OC)n2)/sc2c(CCC2)[nH]1	EMOLS-id_35788293,MCULE-5923213502,PC-id_52901080,EMOLS-id_46560637,ZINC22_61720507,STOCK7S-14994	400.427	HHKMNGUADPYMDO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124181
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3OC)F)n2)/sc2c(CCC2)[nH]1	PC-id_52901397,ZINC22_61720771,MCULE-2043731327,EMOLS-id_35788819,EMOLS-id_46561283,STOCK7S-15312	400.427	YSHRGWPTZDQJAB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124182
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccccc1F	PC-id_141251717	400.427	DQNYXVXIAQYVAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124183
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)c1ccccc1F	PC-id_68442512,SCHEMBL2923702	400.427	MMEHJNMXBSIENO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124184
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1[nH]nc(c1)c1ccc(cc1)F	PC-id_121083852	400.427	JEZVGGVIRKKMKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124185
Fc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68439493,SCHEMBL2915147	400.427	XPXLXJSNXZAWLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124186
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68440730,SCHEMBL2918824	400.427	LKIDLAUJQLGKKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124187
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2922356,PC-id_68441946	400.427	AETUEXZCCFXUMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124188
Fc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2918855,PC-id_68440737	400.427	SCSKNSBDKXDNTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124189
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251754	400.427	UVOYXHVBOPJYSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124190
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251764	400.427	HWJHWMMMUKFIPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124191
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2923950,PC-id_68442617	400.427	QKJJVJMEDZWHKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124192
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2924781,PC-id_68442957	400.427	AFLKYOFDOQSATR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124193
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2918827,PC-id_68440731	400.427	OVJOPVXRAZIXQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124194
O=C(c1ccccc1F)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68439494,SCHEMBL2915151	400.427	QNFCOBYEOQUHPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124195
S1Cc2c(nn(c2NC(=O)c2ccc(F)cc2)CC(=O)NCc2occc2)C1	PC-id_44053220	400.427	NHXDNFZBADIUOR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124196
S1Cc2c(nn(c2NC(=O)c2cc(F)ccc2)CC(=O)NCc2occc2)C1	PC-id_44053219	400.427	NBZPMDRDUFMCML-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124197
S1Cc2c(nn(c2NC(=O)c2occc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053639	400.427	QYVPHWAURBPLRA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124198
S1Cc2c(noc2NC(=O)CCCn2c(=O)cc(nc2)c2ccc(F)cc2)C1	PC-id_49729370	400.427	FXBCTYZENZVRBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124199
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)N(c1ccccc1)C=O	PC-id_141257361	400.428	OYYVNYZVTMYRQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124200
O(C(=O)N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)OCC)C1)C(C)(C)C	PC-id_71476500	400.428	KDHYMPLUOATDPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124201
COc1c(ccc(c1)C=Nc1c(n2CCCc2c1C#N)C(=O)Nc1ccccc1)O	PC-id_135860201	400.43	UKDCTWQGKVSPOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124202
COc1cc(/C=N/c2c(C#N)c3n(c2C(=O)Nc2ccccc2)CCC3)ccc1O	CHEMBL565874	400.43	UKDCTWQGKVSPOH-AFUMVMLFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124203
O=C(n1nc(NC(=O)c2ccccc2)c2c1CN(C2)C(=O)c1ccccc1)C1CC1	PC-id_71451513	400.43	CTNQNTLXAAUTGJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-124204
O=C(Nc1ccccc1)c1n2c(CCC2)c(c1N/C=C
/C=C(OC)C(=O)C=C1)C#N	PC-id_45112440	400.43	UNBMMCNEDGHCLN-CCEZHUSRSA-N	00000010100011110000000010000000000000000000000000000000	25-01-124205
O=C(Nc1ccccc1)c1n2c(CCC2)c(c1NC=C1C=C(OC)C(=O)C=C1)C#N	PC-id_75093581	400.43	UNBMMCNEDGHCLN-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-124206
Cc1ccc(cc1)NC(=O)N1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C	PC-id_91498506	400.432	COWXVACHUSRXFB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124207
Cc1ccc(OCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324869641	400.432	YXUQMBKYVYYPFS-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-124208
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCOc1ccccc1	MCULE-5447760734	400.432	FPHNJIBDBUWBGX-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-124209
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1ccc(cc1)C	MCULE-4138270917	400.432	YXUQMBKYVYYPFS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-124210
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)s1	EMOLS-id_324851441	400.432	FPHNJIBDBUWBGX-RAXLEYEMSA-N	00000000100100110001000010000000000000000000000000000000	25-01-124211
s1c2c(CCC2)c(c1NC(=O)CSc1cc(ccc1)C(F)(F)F)C(=O)N	PC-id_7631627	400.438	UETKYXPIPUSHPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124212
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(F)(F)F)C(=O)OC	PC-id_20166279	400.438	QLROJYKPJLPUGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124213
s1c2c(CCC2)c(c1NC(=S)Nc1c(cccc1)C(F)(F)F)C(=O)OC	PC-id_20412012	400.438	JIFUIOCIDTWUFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124214
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_20412048	400.438	YKEUIEIEUKUTGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124215
c1(c2CCCc2sc1NC(=O)C=Cc1ccc(cc1)N(=O)=O)C(=O)OC(C)C	MCULE-4050111052,PC-id_1008170	400.448	YCSYKAXXIALNOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124216
c1(Cc2ccc(C(=O)Nc3sc4CCCc4c3C(=O)OC)o2)c(noc1C)C	ZINC22_36612048,PC-id_19590479,EMOLS-id_8866396,MCULE-3323217166	400.448	FPCJMVOFIIFISG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-124217
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCCC	PC-id_4151268,MCULE-2181792358	400.448	JGZULIHWHNHUHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124218
CCCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	CoCoCo_5828306	400.448	JGZULIHWHNHUHH-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124219
CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	SPECS-id_AK-968/15604624,TIMTEC565606,CoCoCo_5829396,ZINC22_667696,PC-id_1008171,EMOLS-id_25981865	400.448	YCSYKAXXIALNOM-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124220
CCCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	ZINC22_2089603,EMOLS-id_25972379,PC-id_1747104,CoCoCo_5828305,SPECS-id_AK-968/15603575,TIMTEC237564	400.448	JGZULIHWHNHUHH-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124221
CC(OC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCC2)C	CoCoCo_5829397	400.448	YCSYKAXXIALNOM-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124222
NC(=O)c1c(NC(=O)COC(=O)CCC(=O)c2ccccc2)sc2c1CCC2	ZINC22_7395976,PC-id_8491604,MCULE-8467134641,EMOLS-id_43784190	400.448	WVIZDNVAPNWPBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124223
s1c2CCCc2cc1C(=O)OCC(=O)c1c(NC(=O)C)cc(NC(=O)C)cc1	PC-id_8358933	400.448	YVNLQRPKFYKOLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124224
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C(=O)C)C(=O)NC(=O)OCC	PC-id_7521528	400.448	GOSNLLWTYDIGNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124225
s1c2c(CCC2)c(c1NC(=O)C1ON=C(C1)c1ccc(OC)cc1)C(=O)OC	PC-id_19491433	400.448	BPEHVZJIMQPQQP-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-124226
s1c2c(CCC2)c(c1NC(=O)C1ON=C(C1)c1c(OC)cccc1)C(=O)OC	PC-id_19493641	400.448	GEWSBMUTLSTNFC-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-124227
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C#N)C(=O)OCC	PC-id_4820238	400.448	JHRVLNQJGKZMAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124228
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OCC)c(OC)cc1)C#N	PC-id_7903376	400.448	QVSXPUAGBUUHPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124229
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OCC)cc1)C#N	PC-id_7811232	400.448	GFVPIEVHAXDOHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124230
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1)C#N	PC-id_7968816	400.448	LEQXOQFWMFLGCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124231
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(OC)cc1)C(=O)N	PC-id_3938460	400.448	GLAHRFBEOZSRAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124232
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(OC)cc1)C(=O)N	PC-id_5963657	400.448	GLAHRFBEOZSRAZ-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124233
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)ccc1)C(=O)N	PC-id_78735849	400.448	CAXUOSPWGLWZHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124234
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)ccc1)C(=O)N	PC-id_8604899	400.448	CAXUOSPWGLWZHT-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124235
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)cccc1)C(=O)N	PC-id_78736159	400.448	XDCJVMBVGLAXJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124236
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)cccc1)C(=O)N	PC-id_8605683	400.448	XDCJVMBVGLAXJG-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124237
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(OCC)cc1)C#N	PC-id_7605871	400.448	QWTUNVYOOADDFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124238
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(OCC)cccc1)C#N	PC-id_7729268	400.448	VKEDQUPDDAZKAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124239
SC[C@H](NC(=O)C)C(=O)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_72196199	400.448	WNFXQAKONJKIKI-LOACHALJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124240
CN1CCC(CC1)(F)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL597149,PC-id_59508152	400.45	HNYVVGMPXNFIIB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-124241
CN1CCN(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_10363602,SCHEMBL3456842,BindingDB_PC-id_10363602,CHEMBL597199	400.45	ORRMXVSTILKSNY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124242
s1c2CCCc2c(c1NC(=O)CSc1oc(nn1)c1ccc(F)cc1)C#N	PC-id_16507978	400.45	MFIDZRXJUALATE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124243
s1c2CCCc2c(c1NC(=O)CSc1oc(nn1)c1c(F)cccc1)C#N	PC-id_8300338	400.45	GOXDYXXTTQJLNA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124244
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCCC2)sc2c(CCC2)c1C(=O)N	MCULE-3681090251,PC-id_17018369,EMOLS-id_7681259,ZINC22_13946199,CoCoCo_6359194	400.451	DADLGUSJQSDFEJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-124245
c1(NC(=O)C2CC(=O)N(c3ccccc3C(=O)OC)C2)n(C)nc2CSCc12	MCULE-7306152540,EMOLS-id_334564027	400.451	NTJYZLRXOTYSTL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124246
c
(=NC(=O)CCc2onc(c3ccc(c(OC)c3)OC)n2)/sc2c(CCC2)[nH]1	EMOLS-id_44212460,ZINC22_25768814,STOCK7S-34559,PC-id_33040509,MCULE-6483245486,EMOLS-id_49406951	400.451	BBCCHGAAYDSORA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124247
c1(NC(=O)COc2cccnc2NC(=O)OCCC)sc2c(CCC2)c1C#N	MCULE-6970136051,EMOLS-id_321797669	400.451	LDBVXUWNSDWKEM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124248
c1(NC(=O)COc2cccnc2NC(=O)OC(C)C)sc2c(CCC2)c1C#N	MCULE-7415826020,EMOLS-id_321796645	400.451	QKZCXFJRFNJDFA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124249
c1(NC(=O)C(=O)NN=C(C)c2ccncc2)sc2c(CCC2)c1C(=O)OCC	MCULE-3214678329,PC-id_4009145	400.451	CZPATPPBAUYGFR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124250
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccncc2)C)sc2c1CCC2	PC-id_5985331,EMOLS-id_26345575,STOCK4S-61427	400.451	CZPATPPBAUYGFR-SSDVNMTOSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124251
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)N1CCCCC1	PC-id_117588468,ZINC22_256055597	400.451	MQBTYJAERRSBJU-YBEGLDIGSA-N	00000000100010110001000010000000000000000000000000000000	25-01-124252
COc1ccc(cc1)CN1C(=O)N[C@H](C1=O)CC(=O)Nc1sc2c(n1)CCC2	ZINC22_95480097,EMOLS-id_48565476,PC-id_71828973,MCULE-2299996611,STOCK7S-41749	400.451	LBQKPUPABCBPEL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124253
COc1ccc(CN2C(=O)NC(CC(=O)/N=c/[nH]c4CCCc4s3)C2=O)cc1	EMOLS-id_49409638,PC-id_71709397,EMOLS-id_50403710,MCULE-8914919912	400.451	LBQKPUPABCBPEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124254
COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1	ZINC22_95480098,PC-id_97266757	400.451	LBQKPUPABCBPEL-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124255
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)N1CCCCC1)c2=O	MCULE-2467655529	400.451	MQBTYJAERRSBJU-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-124256
s1c2c(CCC2)c(c1NC(=O)Cn1nc(c(c(c1=O)C#N)C)C)C(=O)OCC	PC-id_8537670	400.451	QZBBWQKBLWWIDA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-124257
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(c1ccncc1)/C)C(=O)OCC	PC-id_6377930	400.451	CZPATPPBAUYGFR-JJFYIABZSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124258
C[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nnc2n1CCC2	PC-id_52289301,ZINC22_48288413	400.452	FJSFQYRJLGFBPW-CYBMUJFWSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124259
C[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nnc2n1CCC2	ZINC22_48288411,PC-id_52289300	400.452	FJSFQYRJLGFBPW-ZDUSSCGKSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124260
O=C(c1ccc(o1)CS(=O)(=O)c1ccccc1)NC(c1nnc2n1CCC2)C	EMOLS-id_32093258,PC-id_47074434,MCULE-1892590020	400.452	FJSFQYRJLGFBPW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124261
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(NC2CC2)nc1)C(=O)N	PC-id_56009174	400.452	IBKJTFZJBGCFNE-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-124262
C=Cc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1)C)F	SCHEMBL19195947	400.453	KODOYDTWEVQTGF-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-124263
Cc1c(ccc(c1)c1nn(c(c1)COC)CC(=O)N1Cc2c(C1)sc(n2)C)F	PC-id_89607811,SCHEMBL15001882	400.47	KFAUUCQUVPYCMI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124264
s1c2CCCc2c(c1NC(=O)CCN(C(c1cc(F)ccc1)C(=O)N)C)C#N	PC-id_56526701	400.47	CACJTONDQJHGDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124265
c1(C(=O)N2CCN(CC2)Cc2ccc(c(OC)c2OC)OC)c2CCCc2[nH]n1	MCULE-5526543004,EMOLS-id_334772827	400.471	VSLCQIFSGWZQFW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124266
c1(C(=O)Nc2c(OCC)cc(c(OCC)c2)N2CCOCC2)c2CCCc2[nH]n1	EMOLS-id_335135409,MCULE-9414665950	400.471	NSNPLOJZJFQDBH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124267
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(s1)c1ccccc1	SCHEMBL14056028,PC-id_89237422	400.471	VYSXYWREGLMGHA-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-124268
COC(=O)c1c(NC(=O)c2ccc(cc2)Oc2nccs2)sc2c1CCC2	PC-id_92072676	400.471	IWMITCUXFSKLJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124269
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1occc1)Cc1occc1)C(=O)N	PC-id_8841263	400.471	MVOUZRCYZBZJGS-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-124270
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)C1(c2ccccc2)CC1	MCULE-7737127672	400.473	KUHIOGSXQLWJLF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-124271
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)C1(c2ccccc2)CC1	MCULE-6888260663,EMOLS-id_316256244	400.473	KUHIOGSXQLWJLF-IBGZPJMESA-N	00100010100000110001100010000000000000000000000000000000	25-01-124272
Cc1nccnc1Oc1ccc(cc1)C(=O)c1nc2c([nH]1)C(C(=C2)CC1CC1)(C)C	PC-id_91570383	400.473	PMYPZLCLDFPGLU-UHFFFAOYSA-N	00100011100000110001000010000000000000000000000000000000	25-01-124273
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)n1cccc1	PC-id_92109267	400.473	NWLZRSJJABPWKJ-UHFFFAOYSA-N	00000010111000110001100010000000000000000000000000000000	25-01-124274
c1(C(=O)NC2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1CN1CCCC1	MCULE-3579454215	400.475	DUSLHDVKJFHGST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124275
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1CN1CCCC1	MCULE-2048130215,EMOLS-id_316329275	400.475	DUSLHDVKJFHGST-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124276
CC(C)(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1cc(ccc1)OC	PC-id_134796559	400.475	FLKUEHSKPQLXRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124277
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)n1cccn1	SCHEMBL14055885,PC-id_89237293	400.475	BHHWNCLRTKRVTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124278
O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)Nc2ccncc2)cc1	CoCoCo_4844609,PC-id_36194367,ZINC22_29020333,EMOLS-id_29677060,MCULE-3665449144	400.475	NLZHLWYVSIFTTG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-124279
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccccc1)C(=O)N	PC-id_4639051	400.475	PCISFJREOZTIPG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124280
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1sccn1	PC-id_16947925	400.475	YBJLTMFKCPEDBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124281
c1(CNCc2nnc3CCCn23)cn(nc1c1ccc(cc1)Oc1ccccc1)C	PC-id_29213834,MCULE-9961105146,CoCoCo_1321638,EMOLS-id_20534857,ZINC22_20910846	400.476	IZGQCLPCVDNKNZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124282
c1(NC(=O)CSc2nnnn2c2ccccc2)sc2c(CCC2)c1C(=O)N	SCHEMBL8290395,EMOLS-id_688298,MS2_R875422,MCULE-6109682861,PC-id_1632933,TIMTEC179094,Chemmine_62563,CoCoCo_1991857,SPECS-id_AN-153/I189156,ZINC22_1895859	400.478	GTOLEMVNFVMTQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124283
CCOc1ccnc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCNC[C@@H]1C	PC-id_143732552	400.478	LECMGJFGLJHGIV-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-124284
O(C(=O)c1c([nH]nc1NN=C1C(=Nn2c1nnc2C)C(C)(C)C)C(C)(C)C)CC	PC-id_59247790	400.478	ZCJYEMVVYFIJLX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-124285
O(C(=O)c1c([nH]nc1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)C(C)(C)C)CC	PC-id_59247775	400.478	SHYMMBHFTUCUSC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-124286
c1(c2CCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1ccccc1C	MCULE-8508622689,PC-id_17377385,TIMTEC461779,EMOLS-id_4079037	400.491	SWWHSYPBNWFZHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124287
c1(c2CCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1ccc(C)cc1	PC-id_17377360,TIMTEC311154,MCULE-9778682964,EMOLS-id_4079049	400.491	MKVYFXWXLVRSGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124288
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332589,MCULE-9815470973	400.491	QQLMYDYZYUTCLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124289
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334627,MCULE-9330012925	400.491	BGXKSUIBUKWXRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124290
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_1478541,PC-id_2937135,BAS-06261554,TIMTEC278844,MCULE-1475650269	400.491	LAPGIQWWRHBKCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124291
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C#N	BAS-06848348,MCULE-2845386968,CoCoCo_356028,SPECS-id_AN-153/I224140,EMOLS-id_1487140,PC-id_1086010,ZINC22_803469	400.491	XUHAFKMPMDIAPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124292
c1(NC(=O)C(c2ccccc2)N2CCOCC2)sc2c(CCC2)c1C(=O)OC	MCULE-4894593878,PC-id_4913624,EMOLS-id_9846082	400.491	OBXQHWVANUDJHN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124293
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCC)sc2c(CCC2)c1C(=O)N	PC-id_73550674,MCULE-6690994361	400.491	VWQOAKGTZIGAFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124294
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(C)C)sc2c(CCC2)c1C(=O)N	PC-id_73569581,MCULE-4604313683	400.491	SKNGZYYYRIDCOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124295
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NC	MCULE-1526756199	400.491	MZSAEBABCNTLAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124296
c1(NC(=O)C=Cc2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)N	MCULE-6287765992,PC-id_73557570	400.491	JSEGXDVDDCZZEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124297
c1(NC(=O)CC(C)CC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccccc1	TIMTEC436982,EMOLS-id_4079003,PC-id_17377102,MCULE-8695329357	400.491	RVILCFUXZKBGNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124298
c1(NC(=O)CCCC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccc(cc1)C	CoCoCo_6832037,EMOLS-id_4078981,ZINC22_17081926,PC-id_17377107,MCULE-8336121773,TIMTEC524476	400.491	WITLPSBAXRFLBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124299
c1(NC(=O)C(C)Oc2ccc(cc2OC)CC=C)sc2c(CCC2)c1C(=O)N	MCULE-5012511955,BAS-02052634,PC-id_3136954	400.491	HWGIRMXXFILYII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124300
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7492209277,TIMTEC506014,PC-id_17012706,EMOLS-id_10105492	400.491	VOEKDILEULZIRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124301
Cc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc2c1CCC2	PC-id_27522338,ZINC22_17081976,CoCoCo_6832481	400.491	SWWHSYPBNWFZHA-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124302
Cc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)O)sc2c1CCC2	ZINC22_17081975,PC-id_27522336,CoCoCo_6832482	400.491	SWWHSYPBNWFZHA-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124303
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2	PC-id_51906565,ZINC22_39514624	400.491	OBBYAIAMEPPTGY-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124304
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2	ZINC22_39514625,PC-id_51906566	400.491	OBBYAIAMEPPTGY-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124305
Cc1ccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCC3)cc1	CoCoCo_6832342,PC-id_27522343,ZINC22_17081987	400.491	MKVYFXWXLVRSGA-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124306
Cc1ccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCC3)cc1	ZINC22_17081986,CoCoCo_6832343,PC-id_27522341	400.491	MKVYFXWXLVRSGA-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124307
C=CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	CoCoCo_228625,ZINC22_879547,PC-id_1137447	400.491	HWGIRMXXFILYII-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124308
C=CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	ZINC22_879549,CoCoCo_228626,PC-id_1137449	400.491	HWGIRMXXFILYII-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124309
CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_3906064,ZINC22_5858963,MCULE-2078601305,EMOLS-id_3460927,CoCoCo_3037107	400.491	VLENCMPWMLQVFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124310
CC(C(=O)N1CCN(CC1)c1ccccc1O)OC(=O)c1sc2c(c1)CCC2	MCULE-5634172748,PC-id_72055899,EMOLS-id_42943268	400.491	FOJLYNSBHFUQIY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124311
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C1CCCCC1	SCHEMBL14055473,PC-id_89236931	400.491	NUTVRWBHIALXHF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-124312
C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2	CoCoCo_6831639,PC-id_27522318,ZINC22_17081942	400.491	RVILCFUXZKBGNF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124313
C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2	CoCoCo_6831640,PC-id_27522316,ZINC22_17081941	400.491	RVILCFUXZKBGNF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124314
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCN(c2ccccc2O)CC1	ZINC22_21848183	400.491	FOJLYNSBHFUQIY-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124315
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)N1CCN(c2ccccc2O)CC1	ZINC22_21848187	400.491	FOJLYNSBHFUQIY-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124316
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NC)cc1OC	EMOLS-id_334328024	400.491	MZSAEBABCNTLAG-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124317
CCOC(=O)c1c(NC(=O)CCc2cccc(NC(=O)C)c2)sc2CCCc12	EMOLS-id_327968257,MCULE-6096273703	400.491	NJTKZRMTLKBZOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124318
COc1cccc(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)c1	CoCoCo_347119,ZINC22_799049,PC-id_1083257	400.491	LAPGIQWWRHBKCW-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124319
COc1cccc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)c1	PC-id_1083258,ZINC22_799050,CoCoCo_347118	400.491	LAPGIQWWRHBKCW-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124320
COC1CN(C1)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	SCHEMBL21247342,PC-id_139391523	400.491	JEBWDUGOBZLMON-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-124321
COC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCC2	ZINC22_408573319	400.491	BBSGXFABNZRDNY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124322
COC(=O)c1c(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)sc2c1CCC2	CoCoCo_6249860,ZINC22_20226828,PC-id_7274396	400.491	OBXQHWVANUDJHN-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124323
COC(=O)c1c(NC(=O)[C@H](c2ccccc2)N2CCOCC2)sc2c1CCC2	ZINC22_20226826,CoCoCo_6249861,PC-id_7274398	400.491	OBXQHWVANUDJHN-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124324
O=C(c1ccc(cc1)N1CCOCC1)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	SCHEMBL21247146,PC-id_139391351	400.491	YVJHMHWVWVOMPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124325
O=C(c1ccc(cc1)NCC1CCOCC1)Nc1sc2c(c1C(=O)O)CCC2	PC-id_139391432,SCHEMBL21247243	400.491	FGPYVJFMRLDIMI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-124326
O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	CoCoCo_6329992,PC-id_35042756,ZINC22_27663175	400.491	VOEKDILEULZIRJ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124327
O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	ZINC22_27663173,PC-id_35042754,CoCoCo_6329991	400.491	VOEKDILEULZIRJ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124328
O=C(Nc1c(C)cccc1C)CNC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	PC-id_45637976,EMOLS-id_31833185,MCULE-3596099214	400.491	OBBYAIAMEPPTGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124329
s1c2CCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_7158852	400.491	DKXVEPHKSGFTCL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124330
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1	PC-id_7623907	400.491	PJTMHYLXXROFCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124331
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(N2CCOCC2)cc1)C	PC-id_42978783	400.491	LICRCDVCOIMDCQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124332
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(C(=O)NCC(C)C)cccc1	PC-id_7623896	400.491	VQBDSSNIZYHAOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124333
s1c2CCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1c(cc(cc1C)C)C	PC-id_16505576	400.491	CEOHFZSLGIRGHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124334
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(=O)Nc1c(ccc(c1)C)C)C	PC-id_7623513	400.491	XEHXTJMJRCKSHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124335
s1c2CCCc2cc1C(=O)OC(C(=O)N(CC(=O)Nc1ccc(cc1)C)C)C	PC-id_78514000	400.491	FCVYUWQQVSFPMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124336
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(=O)Nc1c(CC)cccc1)C	PC-id_7291979	400.491	KZHPMFWPHVAIAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124337
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C	PC-id_40925095	400.491	LICRCDVCOIMDCQ-AWEZNQCLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124338
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C	PC-id_40925096	400.491	LICRCDVCOIMDCQ-CQSZACIVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124339
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)N(CC(=O)Nc1ccc(cc1)C)C)C	PC-id_7623603	400.491	FCVYUWQQVSFPMM-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124340
s1c2CCCc2cc1C(=O)O[C@H](C(=O)N(CC(=O)Nc1ccc(cc1)C)C)C	PC-id_7623605	400.491	FCVYUWQQVSFPMM-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124341
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)c1[nH]ccc1	PC-id_45663345	400.491	FUCVNJZGQMBVLP-UHFFFAOYSA-N	00000010110010000000000010000000000000000000000000000000	25-01-124342
s1c2c(CCC2)c(c1NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC(=O)OC	PC-id_7521469	400.491	IECOYRCNNGXILO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124343
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1C)C)C)C(=O)NC(=O)OC	PC-id_41642813	400.491	XLUZHAWXHPIJBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124344
s1c2c(CCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)NC(=O)OCC	PC-id_41618993	400.491	CDIJJNZABLHUMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124345
s1c2c(CCC2)c(c1NC(=O)Cc1cc(c(cc1)C)C)C(=O)NC(=O)OCC	PC-id_41619950	400.491	QWSOUDSCEHGMOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124346
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)NC(=O)OCC	PC-id_41676366	400.491	UGWZTDNLFLBYIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124347
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1)C)C)C(=O)NC(=O)OCC	PC-id_7597055	400.491	VVQWRECUHVJBJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124348
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(C(C)C)cc1)C(=O)NC(=O)OC	PC-id_41362758	400.491	PXBPBFVVRZMKIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124349
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OCC)c(OCC)cc1)C(=O)N	PC-id_19177918	400.491	JSEGXDVDDCZZEM-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124350
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCC)cc1)C(=O)N	PC-id_19171590	400.491	VWQOAKGTZIGAFD-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124351
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC(C)C)cc1)C(=O)N	PC-id_19207742	400.491	SKNGZYYYRIDCOE-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124352
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(cc(cc1C)C)C)C)C(=O)N	PC-id_52560444	400.491	CVRGWKGDSUZTBB-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124353
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(cc(cc1C)C)C)C)C(=O)N	PC-id_52560445	400.491	CVRGWKGDSUZTBB-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124354
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1cc(c(cc1)C)C)C)C(=O)N	PC-id_8738316	400.491	QZIAPJXLJSLEDV-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124355
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1cc(c(cc1)C)C)C)C(=O)N	PC-id_8738317	400.491	QZIAPJXLJSLEDV-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124356
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)C(c1ccccc1)(C)C)C)C(=O)N	PC-id_8954552	400.491	MLQZOPRRYVQJHM-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124357
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)C(c1ccccc1)(C)C)C)C(=O)N	PC-id_8954555	400.491	MLQZOPRRYVQJHM-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124358
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)C[C@@H](c1ccccc1)C)C)C(=O)N	PC-id_8360774	400.491	DXPMEVPHKIVQOM-STQMWFEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-124359
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)C[C@H](c1ccccc1)C)C)C(=O)N	PC-id_8360775	400.491	DXPMEVPHKIVQOM-OLZOCXBDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124360
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)C[C@@H](c1ccccc1)C)C)C(=O)N	PC-id_8360776	400.491	DXPMEVPHKIVQOM-QWHCGFSZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124361
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)C[C@H](c1ccccc1)C)C)C(=O)N	PC-id_8360777	400.491	DXPMEVPHKIVQOM-CHWSQXEVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124362
s1c2c(CCC2)c(c1NC(=O)CN1CCOCC1)C(=O)c1c(OC)cccc1	PC-id_1455688	400.491	RBGICXUUPZJZCW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124363
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(cc(cc1C)C)C)C)C(=O)N	PC-id_75869395	400.491	CVRGWKGDSUZTBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124364
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CC(C)C)cc1)C(=O)N	PC-id_8537998	400.491	NRIQBMXXVQLXTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124365
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1cc(c(cc1)C)C)C)C(=O)N	PC-id_84826081	400.491	QZIAPJXLJSLEDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124366
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(c1ccccc1)(C)C)C)C(=O)N	PC-id_84882364	400.491	MLQZOPRRYVQJHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124367
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CC(c1ccccc1)C)C)C(=O)N	PC-id_78675328	400.491	DXPMEVPHKIVQOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124368
c1(NC(=O)C(=O)NCCCOC(C)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-8467735247,ZINC22_10250641,CoCoCo_5190608,EMOLS-id_5625818,ChEMBL-DNDi_CHEMBLF2820-0701,PC-id_18586553	400.493	KDAGOUFZEPOACF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124369
C(=Cc1ccc(cc1)OC)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5413956132	400.493	NCHCIXHNEHRAMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124370
CCNC(=NCc1nnc2n1CCC2)NC(c1ccc(c(c1)F)OCC1CC1)C	PC-id_109761385	400.493	XDTRAYKWMCSHPC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-124371
CN(C1Cn2c(C1)cc(n2)C(=O)NCCN1CCN(CC1)c1ccccc1F)C	MCULE-4457821993	400.493	NYEZFUMRQXMGFB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124372
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCCN1CCN(CC1)c1ccccc1F	MCULE-9315632177,EMOLS-id_316327734	400.493	NYEZFUMRQXMGFB-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124373
COc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C#N)c2ccccc2)cc1	EMOLS-id_327844485	400.493	NCHCIXHNEHRAMI-XSFVSMFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124374
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(cc1)OCc1ccccc1	MCULE-6395150053	400.493	LCGAMXZXISOWKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124375
O=C(Nc1sc2CCCc2c1C#N)/C=C/c1ccc(OCc2ccccc2)cc1	EMOLS-id_328002826	400.493	LCGAMXZXISOWKZ-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124376
c1(NC(=O)CN2CCN(CC2)c2ccccn2)sc2c(CCC2)c1C(=O)OC	CoCoCo_6964495,EMOLS-id_4275823,PC-id_22199391,ZINC22_14196224,MCULE-6233187408,CoCoCo_6964494,SPECS-id_AO-476/43415534	400.495	XFHMKYGBYSRCRA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-124377
c1(NC(=O)COc2cn(c(cc2=O)C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331631300,MCULE-3917857323	400.495	CGQGEUZTKXLUGM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124378
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CC)sc2CCCc2c1C#N	MCULE-9818650680,EMOLS-id_331927317	400.495	AEAIDJQCXMHIJE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124379
c1(NC(=O)NN=Cc2ccc(cc2)N(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_19168812,MCULE-9401971966	400.495	MXWBWBKIKNENAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124380
Cc1ccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_8729726,ChEMBL-DNDi_CHEMBL1338495,MCULE-4242145683,CHEMBL1338495,CoCoCo_3573255,EMOLS-id_18884925,ZINC22_7623780,CoCoCo_3573254	400.495	FTCZSQCZSQPLFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124381
CCCc1nc2s/c(=Cc3ccc(OCC(=O)N(CC)CC)cc3)/c(=O)n2n1	EMOLS-id_324849376	400.495	HQSCOAACDJYGDP-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124382
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)C)cc1	EMOLS-id_324847338	400.495	UFGOQDCPJOIGKM-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124383
n12c(=O)c(=Cc3ccc(cc3)OCC(=O)N(CC)CC)sc1nc(C(C)C)n2	MCULE-1237065834	400.495	UFGOQDCPJOIGKM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124384
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)CCC	MCULE-6683758580	400.495	HQSCOAACDJYGDP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124385
NC(=O)c1c(NC(=O)CN2CCN(c3ccccc3O)CC2)sc2c1CCC2	CoCoCo_3371959,CoCoCo_3371958,MCULE-7392663940,EMOLS-id_11956939,ZINC22_35278998,PC-id_8529530	400.495	BZJIZBUQDKTRCP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124386
NC(=O)c1c(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)sc2c1CCC2	EMOLS-id_24005786,CoCoCo_3370640,CoCoCo_3370641,MCULE-2605232697,PC-id_29801906,ZINC22_21822611	400.495	WOQZKRBDMQPZOA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124387
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(CNC(=O)NC(C)C)cc1	PC-id_9369195	400.495	QTKUUIVGIDPYSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124388
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1c(cccc1)C	PC-id_44053127	400.495	YKUXKRSFBBVXGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124389
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(ccc1)C	PC-id_44053128	400.495	UVXCTSJOPGMKOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124390
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1ccc(cc1)C	PC-id_44053129	400.495	DCOBHAVAQPKWCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124391
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)Cc1ccccc1	PC-id_44053180	400.495	NZSOBUGCTCJQQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124392
S(=O)(=O)(N(CC=C)CC=C)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536293	400.495	PGAQNDLDVAVCSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124393
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1scc(c2cccnc2)n1	MCULE-8919773734,EMOLS-id_328221822	400.496	SDVPGIJJPSJXTH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-124394
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1scc(c2ccncc2)n1	MCULE-2965407167,EMOLS-id_328221566	400.496	ZADQGWKQFNJJRM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-124395
O=C(Nc1nc2c(s1)CCC2)c1ccccc1c1ccc(Cn2cccn2)cc1	PC-id_45869000,EMOLS-id_29604431,ZINC22_40050878,CoCoCo_4665913,MCULE-9601970798	400.496	DYMDDDJNOTZJOV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124396
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)c1ncccn1	MCULE-1755698234,PC-id_16337029,EMOLS-id_43982042	400.498	DMDUTKXRFLFGCJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-124397
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(c2ncccn2)CC1	PC-id_9445601,ZINC22_58176661,CoCoCo_4225153,CoCoCo_4225154	400.498	DMDUTKXRFLFGCJ-LBPRGKRZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-124398
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(c2ncccn2)CC1	PC-id_9445603,ZINC22_58176662,CoCoCo_4225156,CoCoCo_4225155	400.498	DMDUTKXRFLFGCJ-GFCCVEGCSA-N	00000010100010100001100010000000000000000000000000000000	25-01-124399
s1c2c(CCC2)cc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1	PC-id_1457066	400.51	OIVFZBYHPMOLSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124400
c1(NC(=O)C2CCCN(C2)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_8858117,MCULE-2806376451,PC-id_17022267,TIMTEC71770	400.513	BDWNLSVBBDAEPO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-124401
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)C)C2)sc2c1CCC2	PC-id_40444550,ZINC22_2800285,CoCoCo_6587340	400.513	BDWNLSVBBDAEPO-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-124402
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)C)C2)sc2c1CCC2	ZINC22_6402057,PC-id_40611069,CoCoCo_6587341	400.513	BDWNLSVBBDAEPO-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-124403
CCOC(=O)c1c(NC(=O)CN(C2CCS(=O)(=O)C2)C)sc2c1CCC2	EMOLS-id_3174648,PC-id_3876402,MCULE-6659317659	400.513	ZQEQUCYERQWHAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124404
CCOC(=O)c1c(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)sc2c1CCC2	CoCoCo_3799161,ZINC22_3298663,PC-id_2414267,CoCoCo_3799159	400.513	ZQEQUCYERQWHAC-LLVKDONJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124405
CCOC(=O)c1c(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)sc2c1CCC2	CoCoCo_3799162,CoCoCo_3799160,PC-id_2414263,ZINC22_3298661	400.513	ZQEQUCYERQWHAC-NSHDSACASA-N	00000010100000000000000010000000000000000000000000000000	25-01-124406
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_44086830	400.513	FYNWPBOYGWVWDS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-124407
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_49697941	400.513	SKWICSQDMLEBKC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-124408
c1(CN(C)Cc2cccc(OC)c2OCCN2CCOCC2)[nH]nc2CCCc12	EMOLS-id_31619785,MCULE-8407724309,PC-id_46995014,ZINC22_55327846	400.514	MJWNQNUUKLNTNP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124409
c1(NC(=S)NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-7913951352,PC-id_4153160	400.514	YKLNYVLPHJIKAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124410
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)c1ccc(c(C)c1)C	MCULE-9322951353,EMOLS-id_186652460	400.514	KFEIRFUHBSPJDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124411
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)nc(s2)COCc1ccccc1	PC-id_139987577	400.514	VLKQVWORHQAXSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124412
CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2)sc2c1CCC2	TIMTEC572650,PC-id_6022666,ZINC22_3076986	400.514	YKLNYVLPHJIKAJ-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124413
s1c2c(CCC2)c(c1NC(=O)CC[NH+](CC1OCCC1)Cc1occc1)C#N	PC-id_75918311	400.514	WQARXNWJEMPATB-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-124414
s1c2c(CCC2)c(c1NC(=O)CC[NH+](C[C@H]1OCCC1)Cc1occc1)C#N	PC-id_52759193	400.514	WQARXNWJEMPATB-INIZCTEOSA-O	00000010101000000000000010000000000000000000000000000000	25-01-124415
s1c2c(CCC2)c(c1NC(=O)CC[NH+](C[C@@H]1OCCC1)Cc1occc1)C#N	PC-id_52759195	400.514	WQARXNWJEMPATB-MRXNPFEDSA-O	00000010101000000000000010000000000000000000000000000000	25-01-124416
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)Nc1cc(ccc1)C	PC-id_7280787	400.514	UVWZGRZIWLKXKN-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-124417
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC=C)C(=O)Nc1ccc(OCC)cc1	PC-id_7279758	400.514	SFRSCMOUTHONPU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124418
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(cc(OC)c(OC)c1)C)C)C#N	PC-id_8551051	400.514	VHWLRHSQTLGRTE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124419
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(OC)c(OCC)cc1)C)C#N	PC-id_2656847	400.514	QOLMSTXPIPBUGG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124420
s1c2CCCc2c(c1NC(=O)COC(=O)CCSc1ccc(cc1)C)C#N	PC-id_8855138	400.514	WHFVLUZZFWZIGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124421
s1c2CCCc2c(c1NC(=O)COC(=O)CSCc1ccc(cc1)C)C#N	PC-id_7773175	400.514	MYNWTKXXTKNWMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124422
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1ccc(cc1)C)C(=O)OC	PC-id_4477526	400.514	QSHJHHGBOFKRBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124423
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1ccc(cc1)C)C(=O)OC	PC-id_6121990	400.514	QSHJHHGBOFKRBS-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124424
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)C(=O)NCC[NH+](CC)CC)C1	PC-id_8700742	400.516	BCNPUNUVVZLOAF-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-124425
CCNC(=NCc1nnc2n1CCC2)NC(c1ccc(c(c1)OCC)OCC)C	PC-id_111297801	400.518	XIUDPVZKTQQIDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124426
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(c(c1)OCC)OCC	PC-id_111020297	400.518	RGMHCPXZPXPFTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124427
CCNC(=NCc1nnc2n1CCC2)NCCCc1ccc(c(c1)OCC)OC	PC-id_111574073	400.518	YZKNXNHJAZDIIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124428
CCOCCC/N=C(/NCCc1nnc2n1CCC2)NCc1ccc(OC)cc1	ZINC22_72301896,PC-id_75533832	400.518	IGKMTVTUSVGJHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124429
CCOCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCC2)NCC	PC-id_109600730	400.518	SRVVBIOFYAXGHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124430
COCCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCC2)NCC	PC-id_109604820	400.518	UJHRQXSNXKWKMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124431
O=C(c1cc2c(s1)CCC2)N1CCN(Cc2nc(c3ccsc3)no2)CC1	PC-id_45876884,CoCoCo_4806809,MCULE-4947248442,ZINC22_40071982,EMOLS-id_30018170	400.518	XZYPKPZQZJANJT-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-124432
O=C(NC(c1n2CCCc2nn1)C(C)C)NCC(N(C)C)c1c(OC)cccc1	PC-id_60277213	400.518	GJPYOLSWGKFXKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124433
s1c2c(CCC2)c(c1NC(=O)CCN1CC[NH+](CC1)Cc1noc(c1)C)C#N	PC-id_40105239	400.518	WXCBMRXFABVYEF-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-124434
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1[nH+]cccc1)C)C(=O)N	PC-id_51640884	400.518	KIXNXMSYVSEJIK-CYBMUJFWSA-O	00000010100010101001100010000000000000000000000000000000	25-01-124435
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1[nH+]cccc1)C)C(=O)N	PC-id_51640885	400.518	KIXNXMSYVSEJIK-ZDUSSCGKSA-O	00000010100010101001100010000000000000000000000000000000	25-01-124436
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1[nH+]cccc1)C)C(=O)N	PC-id_75746334	400.518	KIXNXMSYVSEJIK-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-124437
s1c2c(CCC2)c(c1NC(=O)CSc1nc(c(c(c1C#N)C)C)C)C(=O)N	PC-id_40677554	400.518	GRFZZMOKDBTPNZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124438
c1(CN2CCC(CC2)C)nnnn1CCCC(=O)N(C)Cc1c2CCCc2[nH]n1	PC-id_72938521,EMOLS-id_48449052,MCULE-5819449907,ZINC22_95530934	400.521	IWPCXFLVXHBBBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124439
c1(NC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C(=O)NC	MCULE-8274291513,EMOLS-id_334329556	400.534	FTCIBLLBVNKNSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124440
c1(NC(=O)Cc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5003851015,EMOLS-id_334386205	400.534	KRQZPOHABMMKSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124441
c1(NC(=O)CCc2ccccc2C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389020,MCULE-6211897785	400.534	UDNZBVLJPNUNDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124442
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)N	PC-id_19173597,MCULE-2473295911	400.534	IQLQPOPVBUUPBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124443
c1(NC(=O)CCCOc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334332625,MCULE-6401249280	400.534	WEUWFPICEXXJAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124444
c1(NC(=O)CCCOc2ccc(c(C)c2)C(C)C)sc2c(CCC2)c1C(=O)N	MCULE-1309163918,PC-id_2072301	400.534	FLFVHUGBZFJGSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124445
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)c1C(=O)NC	MCULE-7304638387,EMOLS-id_334331352	400.534	ODSFUTSGRBIBOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124446
CCOc1ccc(cc1)C(=O)c1cc2c(s1)N(C(C2)C)CCN1CCOCC1	SCHEMBL14670769,PC-id_71244226	400.534	ALKPFUDBUSRLNF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124447
CCOC(=O)c1c(NC(=O)CCCN(CC)c2ccccc2)sc2CCCc12	EMOLS-id_328140360,MCULE-4401792123	400.534	MYZWMIDAFMGSOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124448
c1(NC(=O)c2ccc(cc2)C(C)(C)C)c2CSCc2nn1CC(=O)NCCC	EMOLS-id_24913189,ZINC22_23138831,CoCoCo_5277525,MCULE-5362200637,PC-id_30862166	400.538	MTMXRCHPAILWFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124449
c1(NC(=O)C(=O)NC(C)CCc2ccccc2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5617924,Chemmine_48494,PC-id_18584376,MCULE-4177377994	400.538	VTFMVBCPFSBECZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124450
C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	CoCoCo_5184721,ZINC22_5438279,PC-id_7685549	400.538	VTFMVBCPFSBECZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124451
C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	PC-id_7685550,CoCoCo_5184720,ZINC22_5438289	400.538	VTFMVBCPFSBECZ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124452
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)C(=O)N1CCCC1)C#N	PC-id_56526268	400.538	BTMCKHIARVETPS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-124453
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)Cc1ccccc1)C(=O)N	PC-id_2498823	400.538	UTPUABNGYCUBFC-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-124454
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)CC(C)(C)C	PC-id_44053803	400.538	GXWDDGJHVIWFML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124455
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)C(CC)CC	PC-id_44053804	400.538	LHZNDIBLSJZDOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124456
CC(C)c1cccc(C(C)C)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328220282,MCULE-2360637041	400.556	AAKOAYRWNVOPGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124457
CC(C)c1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc(c1)C(C)C	MCULE-9183383392,EMOLS-id_328218236	400.556	NATIMIASSGMJTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124458
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)Cc1ccc(C(C)(C)C)cc1	EMOLS-id_186603643,MCULE-7910896723	400.557	CVYCKLMYDSMYBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124459
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccc(C(C)C)cc1)C)C)C(=O)N	PC-id_40761085	400.557	VGMFGDABYXXJPK-AWEZNQCLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124460
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccc(C(C)C)cc1)C)C)C(=O)N	PC-id_40761087	400.557	VGMFGDABYXXJPK-CQSZACIVSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124461
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(C(C)C)c1ccc(cc1)CC)C(=O)N	PC-id_84894834	400.557	TWDROVQDSRHDGJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124462
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](C(C)C)c1ccc(cc1)CC)C(=O)N	PC-id_8992147	400.557	TWDROVQDSRHDGJ-HXUWFJFHSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124463
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](C(C)C)c1ccc(cc1)CC)C(=O)N	PC-id_8992150	400.557	TWDROVQDSRHDGJ-FQEVSTJZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124464
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1ccc(C(C)C)cc1)C)C)C(=O)N	PC-id_74719422	400.557	VGMFGDABYXXJPK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124465
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(C(C)(C)C)cc1)C)C(=O)N	PC-id_8908744	400.557	LVXBILVWQKXHPF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124466
CCCCCCCOc1ccc(cc1OCC)CNC(c1nnc2n1CCC2)C	MCULE-9677001524,EMOLS-id_48221920,PC-id_75417246	400.558	PGHGHCKSDMELRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124467
CCCCCCCOc1ccc(CN[C@@H](C)c2nnc3n2CCC3)cc1OCC	PC-id_97960030,ZINC22_97971403	400.558	PGHGHCKSDMELRI-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124468
CCCCCCCOc1ccc(CN[C@H](C)c2nnc3n2CCC3)cc1OCC	PC-id_97960031,ZINC22_97971404	400.558	PGHGHCKSDMELRI-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124469
CCCCCS(=O)(=O)N1CCN(CC1)CC(=O)Nc1sc2c(n1)CCC2	PC-id_86936870	400.559	RAXXXOOHICHQJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124470
Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n(C2CCCC2)c1C	MCULE-4850613012,ZINC22_8134599,PC-id_16322947,EMOLS-id_11756584,CoCoCo_3938214	400.561	LXSLIKXNUSTEPS-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-124471
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1sccc1)C#N	PC-id_46682988	400.561	KOXVZSPPLOCFIE-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-124472
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1sc(SC)nn1)C)C(=O)N	PC-id_8888636	400.562	SPOHFQZKUIFMGN-LURJTMIESA-N	00000010100000000001000010000000000000000000000000000000	25-01-124473
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1sc(SC)nn1)C)C(=O)N	PC-id_8888640	400.562	SPOHFQZKUIFMGN-ZCFIWIBFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124474
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCC)nn1)C(=O)N	PC-id_7692244	400.562	XGIOQQPFDSRDSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124475
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(SC)nn1)C)C(=O)N	PC-id_84865283	400.562	SPOHFQZKUIFMGN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124476
CCOC(=O)c1c(NC(=O)CSC(=S)N(CC)CC)sc2c1CCC2	ZINC22_4192971,PC-id_4419252,EMOLS-id_43740554,MCULE-7232883058,CoCoCo_2975884	400.579	AVLRDIRKCYHMNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124477
CC1(CCC2(C(C1)N2)C(=C1C=c2c(=N1)cc(s2)N(C)C(=O)CC(C)(C)C)N)C	PC-id_90077498	400.581	FRYVLEUOWSAKJF-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-124478
c1(CN2CCN(CC2)c2cc(C(C)(C)C)nc(SC)n2)c2CCCc2nn1C	MCULE-1154617399,EMOLS-id_337761208,ZINC22_2298054302	400.584	VQJQKJHMBJCXAR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-124479
Cc1ccc(cc1)C(C)(C)COCCOC[C@@]1(Cc2c(C1)sc(c2)C(C)C)C	SCHEMBL19981598,PC-id_134355231	400.617	MZMZQJXAEWMLRH-RUZDIDTESA-N	00000010100000110000000010000000000000000000000000000000	25-01-124480
CCCc1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324846822	400.678	HNNXDYPDXXVFPJ-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124481
CC(C)c1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324848879	400.678	RJDLAGCGBAHZPQ-WMZJFQQLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124482
n12c(=O)c(=Cc3cc(cc(Br)c3O)Cl)sc1nc(C(C)C)n2	MCULE-5442305610	400.678	RJDLAGCGBAHZPQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124483
n12nc(nc1sc(=Cc1cc(cc(Br)c1O)Cl)c2=O)CCC	MCULE-4217534267	400.678	HNNXDYPDXXVFPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124484
CCc1cc(Cn2nc3CCC(C)c3c2I)ccc1Cl	EMOLS-id_330961849,MCULE-8294349550	400.685	UNSOZMCNHSGVCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124485
CCc1cc(Cn2nc(I)c3C(C)CCc23)ccc1Cl	EMOLS-id_330977789,MCULE-7259418568	400.685	IRGJJPHQSVRHQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124486
FC1CN(CC1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F	SCHEMBL19609894	400.783	DMQAPGZFEAOPHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124487
F[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F	SCHEMBL19584698	400.783	DMQAPGZFEAOPHY-PBWFPOADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124488
O=C(C1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F)N1CCC(C1)(F)F	SCHEMBL19584670	400.783	QUHNRPHWNBUZQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124489
Clc1c(OC(F)F)c(OC)cc(c1)C=NNC(=O)c1sc2CCCc2c1	PC-id_85015448	400.827	MVVLKZGIRCAYCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124490
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)Nc1ccc(Cl)cc1	EMOLS-id_44303588,ZINC22_96146807,PC-id_97442334	400.854	WCUMDSZPKZXJDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124491
CCOC(=O)C(Oc1cc(/N=c/2snc3n2CCN3C)c(cc1Cl)F)C	PC-id_13730665,SCHEMBL10548220	400.856	XSKKILMPDMEAFE-MNDPQUGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124492
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc(cc1)C(=O)O	EMOLS-id_16659875,CoCoCo_3532678,PC-id_25612369,MCULE-8561565207	400.857	XSNOGMPREFWNGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124493
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	BAS-06261204,TIMTEC554474,MCULE-3998865141,PC-id_2939985,EMOLS-id_1478525,CoCoCo_346997,ZINC22_4570472	400.879	XQHHMQIYAGSAQK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-124494
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3432291126,EMOLS-id_334340004	400.879	WUJOSPKSYMOQEK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-124495
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4389520217,EMOLS-id_334341538	400.879	BLHUGQDLYBBJHL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-124496
c1(NC(=O)C(=Cc2ccc(cc2)Cl)C#N)sc2c(CCC2)c1C(=O)OCC	MCULE-5033080979,PC-id_4645235	400.879	BNZZUOFZPDSIGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124497
C(=Cc1cccc(Cl)c1)(C#N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-1655930422	400.879	VWQPTHOOTLYQEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124498
CCOC(=O)c1c2CCCc2sc1NC(=O)/C(=C/c1cccc(Cl)c1)/C#N	EMOLS-id_328073338	400.879	VWQPTHOOTLYQEB-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124499
CCOC(=O)c1c2CCCc2sc1NC(=O)/C(=C/c1ccc(Cl)cc1)/C#N	PC-id_1672623,EMOLS-id_328073312	400.879	BNZZUOFZPDSIGN-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124500
Clc1ccc(C2(CC2)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8589268	400.879	RAOQTNCKKIEHGF-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-124501
Clc1c(ccc(c1)C=CC(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C	PC-id_78683124	400.879	JSHGTDCJHRVVTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124502
Clc1c(ccc(c1)/C=C/C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C	PC-id_8389253	400.879	JSHGTDCJHRVVTA-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124503
Clc1ccc(/C=C(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)/C#N)cc1	PC-id_1672622	400.879	BNZZUOFZPDSIGN-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124504
Clc1ccc(cc1)C(=O)c1c(sc2c1CCC2)NC(=O)C(n1ncnc1)C	PC-id_112818817	400.882	SZFFOKNSQBOYNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124505
Clc1n(nc(c1C(=O)NNC(=O)c1sc2CCCc2c1)C)c1ccccc1	PC-id_43016964	400.882	JJEIBKVJMLIOES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124506
Clc1ccc(CCN2CC(CCC2=O)C(=O)NCc2n[nH]c3CCCc23)cc1	MCULE-2725425726,EMOLS-id_20573011,PC-id_45210225	400.902	GOTJNALRHRLTMR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124507
O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1	CoCoCo_1377858,CoCoCo_1377860,ZINC22_12316448,PC-id_42528698	400.902	GOTJNALRHRLTMR-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124508
O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1	GD-id_ZINC12316447,ZINC22_12316447,CoCoCo_1377859,PC-id_42528697,CoCoCo_1377861	400.902	GOTJNALRHRLTMR-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124509
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)S(=O)(=O)c1ccc(Cl)s1	EMOLS-id_207862998,MCULE-1306757796	400.903	BOBHQOYWAASGIA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-124510
c1(NC(=O)C2(CCCCC2)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322840240,MCULE-6600022842	400.922	COAMYSXOXCZVSS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-124511
c1(NC(=O)C2(CCCCC2)Oc2ccccc2Cl)sc2c(CCC2)c1C#N	MCULE-6048110454,EMOLS-id_322838704	400.922	HVOVYZWABVCRCZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-124512
c1(NC(=O)C2(CCCCC2)Oc2cccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-1498321625,EMOLS-id_322839984	400.922	NCHHVOPFYOFQEX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-124513
CNC1CCc2c1cn(c2Cc1ccccc1)S(=O)(=O)c1cccc(c1)Cl	SCHEMBL16547904,PC-id_117935933	400.922	AMCRRTIVELHYLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124514
c1(NC(=O)CC(c2ccc(cc2)Cl)Cn2cccc2)n(C)nc2CSCc12	MCULE-3717256692,EMOLS-id_93421022,PC-id_121239091,STOCK7S-61310	400.925	MDPYXVODAMUIMR-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-124515
Clc1c(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)cccc1	PC-id_4818497	400.925	PPGWNPFIPDBIIB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124516
Cn1nc2c(c1NC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)CSC2	ZINC22_409413953	400.925	MDPYXVODAMUIMR-HNNXBMFYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-124517
Cn1nc2c(c1NC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1)CSC2	ZINC22_409413959	400.925	MDPYXVODAMUIMR-OAHLLOKOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-124518
N#Cc1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc2c1CCC2	MCULE-9578170556,ZINC22_34867515,CoCoCo_3569483,EMOLS-id_48932193,PC-id_4648063,CoCoCo_3569482	400.925	RYFXMHURSNVRPO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124519
c1(C(=O)N(C)CC2CCN(CC2)CCc2ccc(cc2)Cl)c2CCCc2[nH]n1	CoCoCo_1182065,CoCoCo_1182067,PC-id_42098622,EMOLS-id_20436735,ZINC22_11664868,CoCoCo_1182068,MCULE-8219164158,CoCoCo_1182066	400.945	ALRHNEWFXDGHNG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124520
Brc1cnc(c(c1)Br)CNC(c1nnc2n1CCC2)C	PC-id_104271176	401.1	WEYQDEJIXCZMFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-124521
C1COCCN1C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)O)C(=O)O	PC-id_154053819	401.134	XMVBYMMFYLTFMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124522
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)/C=Cc1ccccc1	SCHEMBL2925055	401.418	MYBPHDFWKOWUIO-QXMHVHEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124603
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@@H](C3=CC=CC=C3)[C@@H](C)O	PC-id_164872151	401.141	RPMHEAWDJFQVAT-JKECZQHHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124523
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3C	PC-id_164872077	401.141	XWZKGGUDRAOHMI-BDSVNUEJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124524
CC(=O)C1=NN(C2=C1CCC2)CC(=O)N3CCCC(C3)OC4=CC=CC=C4Cl	PC-id_153536666	401.151	HDFLBVBIJAVJRP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124525
CC1(COc2ccc(I)cc2)Cn2cc(nc2O1)[N+](=O)[O-]	EMOLS-id_320372657,SCHEMBL1227152,PC-id_89456875	401.157	SIDKXNRMYLHLCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124526
Ic1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL14801215	401.157	SIDKXNRMYLHLCV-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124527
Brc1cc(CNCc2sc3c(c2)CCC3)ccc1Br	PC-id_116174455	401.159	BCRJMDGKRXZPON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124528
Brc1c(C(N)c2sc3c(CCC3)c2)cc(Br)c(c1)C	PC-id_81473280	401.159	NWAPOSZQRMJCHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124529
Brc1c(C(NC)c2sc3c(CCC3)c2)cc(Br)cc1	PC-id_43482192	401.159	HXVKUZHBWRJZIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124530
O=Cc1cc2c(n1SI)CCC2Cc1ccc(cc1)F	PC-id_144126426	401.238	OLOMMNXPESOSAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124531
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-1413460028,EMOLS-id_331016628	401.264	RCLUBTDJUFDPFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124532
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331016372,MCULE-4854006036	401.264	LIDNRCQIAPRJBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124533
CC(=O)CC1CCN(CC1)C(=O)c1nn(c2c1CCC2)CCC1CCC(CC1)O	PC-id_163668725	401.268	GIDIAFXCEDCSPP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124534
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1	EMOLS-id_328219773,MCULE-4292589782	401.286	XAWXJXQMVYIAIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124535
Cc1nccc(c1)NC(=O)c1nn(c2c1CCC2)Cc1c(cc(cc1)Cl)Cl	PC-id_137646712	401.289	LZXVPRDXOSMYEE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-124536
Brc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3532672,EMOLS-id_18841516,MCULE-7087290219,PC-id_25521252	401.299	ZOSJNCSLUAYJRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124537
Brc1cccc(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_8474138,MCULE-4733297000,EMOLS-id_16768371,CoCoCo_3532712	401.299	KBXSPLXHOXMNET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124538
Brc1c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cccc1	MCULE-1340288467,EMOLS-id_29564903,CoCoCo_3532718,PC-id_8474158	401.299	MZZCQEUEWLOKKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124539
NC(=O)c1c2c(CCC2)sc1NS(=O)(=O)c1ccc(Br)cc1	MCULE-2700780038,CoCoCo_3541078,ZINC22_2762374,EMOLS-id_3368708,PC-id_2168104,TIMTEC119541	401.299	DEWIFNSSAXVWOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124540
Brc1nc2SCCn2c1/C=N/NS(=O)(=O)c1ccc(cc1)C	LI_185198,NSC315236,CoCoCo_5595438,PC-id_9555394	401.302	LBQWTSBKVCLNSL-OVCLIPMQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124541
Brc1nc2SCCn2c1C=NNS(=O)(=O)c1ccc(cc1)C	PC-id_329976	401.302	LBQWTSBKVCLNSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124542
Cc1ccc(cc1)S(=O)(=O)N/N=Cc1c(Br)nc2n1CCS2	CoCoCo_5595437	401.302	LBQWTSBKVCLNSL-NVNXTCNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124543
CCOC(=O)Cc1csc2[n+]1C(=O)/C(=C/c1cccc(Cl)c1Cl)/S2	CoCoCo_5721566,PC-id_6477817,ZINC22_1636015	401.307	LOGHGIFUJMAWBV-SDQBBNPISA-N	00000010100000110001000010000000000000000000000000000000	25-01-124544
CCOC(=O)Cc1csc2[n+]1C(=O)/C(=Cc1cccc(Cl)c1Cl)/S2	PC-id_6062285,ZINC22_5851671,CoCoCo_5721565	401.307	LOGHGIFUJMAWBV-WUXMJOGZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124545
Clc1c(C=C2Sc3scc([n+]3C2=O)CC(=O)OCC)cccc1Cl	PC-id_376500	401.307	LOGHGIFUJMAWBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124546
s1c2c(CCC2)c(c1NC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)C#N	PC-id_596426	401.327	ZREMQIFHDOFCIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124547
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1Cl	PC-id_17301074	401.331	MUDMPJNNQWVPEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124548
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc(Cl)c1	PC-id_20409812	401.331	DWPHYYYRWXQBQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124549
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cccc1Cl	PC-id_20409642	401.331	AUHUARKDCLXRHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124550
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_20409692	401.331	RCPPDIWSJBWOIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124551
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc(Cl)cc1	PC-id_20409757	401.331	RMLAYJWNYSAFGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124552
Clc1c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(Cl)ccc1	PC-id_7466918	401.331	KYIRQNLOOJGHEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124553
N#Cc1nc2n(c1C(F)F)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261660	401.331	OXFRFUXTDRYKFV-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124554
NC(=O)c1c(NC(=O)CSc2cc(Cl)ccc2Cl)sc2c1CCC2	EMOLS-id_3307101,CoCoCo_3135039,ZINC22_6083293,PC-id_4832349,MCULE-9127019155	401.331	BANVDULGTBREMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124555
Cc1c(nc2n1CC(O2)COc1cc(c(cc1)C(C)(C)C(F)(F)F)F)C(=O)N	PC-id_86342442	401.355	HRTNAYRNRMLZPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124556
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C(F)(F)F)S(=O)(=O)C	PC-id_20235125,SCHEMBL10815581	401.357	GFOCSYXVFBHQIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124557
FC(F)(COCc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1)C(F)F	PC-id_55793508	401.359	MLIIDZBVPFMRGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124558
FC(F)(F)c1cc(n[nH]1)c1ccc(o1)S(=O)(=O)NCc1n[nH]c2CCCc12	EMOLS-id_316254231,MCULE-4693583477,ZINC22_1506400066	401.364	SSLFETPDFICVTF-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-124559
Cn1nc2c(c1NC(=O)c1cccc(Oc3cccc(C(F)(F)F)c3)c1)CCC2	MCULE-4443008023,ZINC22_58416457,PC-id_51125988,EMOLS-id_33361773	401.382	DPCBFKPVZPQPDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124560
COc1ccccc1OCc1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324869135	401.387	DJZVSBYKHDFBJF-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124561
COc1ccccc1OCc1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324868623	401.387	LDUFYWABSFMEPV-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124562
COc1ccccc1OCc1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324873732	401.387	PREJRSRTKFCUAZ-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124563
COc1cccc(OCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)c1	EMOLS-id_324875266	401.387	RKFNNVXXMUDHQA-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124564
COc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)c1	EMOLS-id_324874754	401.387	ZQMVZQYBHHEEAE-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124565
COc1cccc(OCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)c1	EMOLS-id_324875783	401.387	PGVCFWARVVSFBZ-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124566
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)COc1ccccc1OC	MCULE-1033655364	401.387	PREJRSRTKFCUAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124567
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)COc1cccc(OC)c1	MCULE-7999674153	401.387	PGVCFWARVVSFBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124568
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1ccccc1OC	MCULE-3544173092	401.387	DJZVSBYKHDFBJF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124569
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1cccc(OC)c1	MCULE-5480084827	401.387	RKFNNVXXMUDHQA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124570
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1ccccc1OC	MCULE-3328896153	401.387	LDUFYWABSFMEPV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124571
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1cccc(OC)c1	MCULE-4038275444	401.387	ZQMVZQYBHHEEAE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124572
Fc1c(Nc2n(c3c(CCC3=O)c2C(=O)NOC(CO)CO)C)ccc(c1)C#C	PC-id_25125509,SCHEMBL4790021	401.388	CZFYOQUEPYNSOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124573
c1(NC(=O)COc2cc(ccc2N(=O)=O)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_327696968,MCULE-9984216676	401.393	VFWWFMAQOMERML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124574
c1(NC(=O)COc2ccc(cc2N(=O)=O)C(=O)OC)sc2c(CCC2)c1C#N	MCULE-7421652433,EMOLS-id_327693891	401.393	VCPDNFPBIYDLBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124575
N#CCC(N1C(=O)c2c(C1=O)csc2[N+](=O)[O-])c1ccc(c(c1)OC)OCC	SCHEMBL2996464,PC-id_68470706	401.393	IWNPUCVNXYTOLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124576
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2CCN(CC2)C(=O)[O-])cc1)C	SCHEMBL5537968,PC-id_69479982	401.393	NTEQVPFLAZPRQR-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-124577
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2CCN(CC2)C(=O)[O-])cc1)C	SCHEMBL5537973,PC-id_69479984	401.393	NTEQVPFLAZPRQR-LJQANCHMSA-M	00000010100010110001100010000000000000000000000000000000	25-01-124578
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)C(=O)[O-])cc1)C	PC-id_69479886,SCHEMBL5537668	401.393	YCAXIATZIZLJET-LJQANCHMSA-M	00000010100010110001100010000000000000000000000000000000	25-01-124579
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)C(=O)[O-])cc1)C	PC-id_77659554	401.393	YCAXIATZIZLJET-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-124580
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OC)ccc([N+](=O)[O-])c1)C#N	PC-id_8209748	401.393	AXYKMIWWFYLBOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124581
OC(c1ccc(cc1)OC(F)(F)F)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	PC-id_139404248,SCHEMBL21261121	401.4	WDFYCUQHNIXXIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124582
c1(NC(=O)c2ccc(cc2)C(F)(F)F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_7484577,MCULE-3621722398,ZINC22_5077887,CoCoCo_5065642,EMOLS-id_5686960	401.403	HMPXZBNVLHGQAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124583
c1(NC(=O)c2ccccc2C(F)(F)F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_4088603,EMOLS-id_5438331,ChEMBL-DNDi_CHEMBLF0541-0043,CoCoCo_4982163,ChEMBL-DNDi_CHEMBL1888728,PC-id_4374385,MCULE-9333447266	401.403	RIQIIRPKOHJQRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124584
c1(NC(=O)Cn2c(C)cc(C(F)(F)F)n2)sc2c(CCC2)c1C(=O)OCC	TIMTEC77696,ZINC22_845155,PC-id_1111138,ChEMBL-DNDi_CHEMBL1478269,CoCoCo_6919058,CHEMBL1478269,MCULE-1292053171,EMOLS-id_1293997,SPECS-id_AK-968/11843090	401.403	BKIRCXTWPNDGMU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124585
O=C(c1cccc(c1)C(F)(F)F)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_3352736,CoCoCo_4982164,ChEMBL-DNDi_CHEMBLF0541-0044	401.403	LZPOTEZGZTVUJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124586
FC(F)(F)c1ccccc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324841208	401.405	XSYPSTHPDBBFSP-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124587
FC(F)(F)c1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324840696	401.405	JNAJSLQQCKBWTJ-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124588
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCc1ccccc1	MCULE-6846373333	401.405	XSYPSTHPDBBFSP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124589
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCc1ccccc1	MCULE-7459092342	401.405	JNAJSLQQCKBWTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124590
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1c(F)cccc1)C#N	PC-id_9270061	401.411	YKPVTSWZBALEPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124591
CCCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)[B]	PC-id_145553410	401.413	XHHQMJZFLFVYHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124592
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccc(F)cc1)C(=O)OC	PC-id_16517315	401.415	CZMQPZLQZZICBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124593
c12CN(Cc1n(nc2C(=O)N1CCOCC1)C)C(=O)c1ccc(nc1OC)OC	EMOLS-id_207863034,MCULE-9118091055	401.416	SYFQMHNWSAYCFC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-124594
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccccc1)C(=O)O	PC-id_89437161	401.416	POVOHCXCNYUYSR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124595
COc1ccc(cc1)C(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_23081497,SCHEMBL5535950	401.416	DVAXCIOCBQGFAA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124596
O1C(CN2CCN(CC2)C(=O)COc2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081521,SCHEMBL5537817	401.416	GWKOSABRFKMYLD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124597
O1C(CN2CCN(CC2)C(=O)OCc2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5542184,PC-id_23081231	401.416	DYXKRXULTUKCBG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124598
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C	PC-id_138964055	401.416	SMMZKVRYLLLLCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124599
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)[N+](=O)[O-])OC(C)(C)C	SCHEMBL17872164,PC-id_121438565	401.416	MBNJMDOLBHKYEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124600
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccccc2)C1)NC(=O)c1ccccc1	PC-id_68442502,SCHEMBL2923677	401.418	MYBPHDFWKOWUIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124601
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2ccccc2)C1)NC(=O)c1ccccc1	SCHEMBL2923671,PC-id_68442500	401.418	MYBPHDFWKOWUIO-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124602
O=C(NCc1n2CCCc2nn1)Nc1cc(ccc1)C(=O)Nc1cc(ccc1)C#N	PC-id_60488709	401.421	JKCUWXVXVSGFKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124604
s1c2c(CCC2)c(c1NC(=O)CSc1ncc(cc1)C(F)(F)F)C(=O)N	PC-id_24558251	401.426	HLYWNNLOYDFVFE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124605
N#Cc1c(NCC(c2ccc(cc2F)F)(Cn2ncnc2)O)sc2c1CCC2	PC-id_67234193,SCHEMBL1975781	401.433	QIPUJGCKFQTUPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124606
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C=O)C(=O)OCC	PC-id_3462449	401.433	KZQSLPHFVDMBAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124607
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)CC)N(c1ccc(cc1)F)C=O	PC-id_141257336	401.435	KLVWMVVUIQFGJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124608
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)N1CCC(CC1)F	SCHEMBL2928661,PC-id_21874040	401.435	CNSJPKNQOPDGDK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124609
Fc1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)NCCCC)C(=O)CC)cc1	PC-id_54767646	401.435	QCUPNTBPELOPOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124610
Fc1cc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(O)CC2)(C)C)ccc1	PC-id_11741756	401.435	CRSDRUVDLJAZMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124611
c1(NC(=O)C(=O)NN=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	PC-id_2004918,MCULE-6522075509	401.436	ZJSATKHTUCPVCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124612
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)C1CC1	SCHEMBL14056773,PC-id_89238086	401.436	QSLFGRNSSYTWRV-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-124613
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C/c1ccccc1O	PC-id_135554174	401.436	SWZKBKODEHBZBL-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-124614
CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_2581943,MCULE-8869140063,CoCoCo_2979343,EMOLS-id_25621517,ZINC22_3461593	401.436	HDGOGLHTMZMDKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124615
COc1ccc(cc1)/C=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_5868265,EMOLS-id_26340497,STOCK4S-41488	401.436	ZJSATKHTUCPVCC-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-124616
COC(=O)c1ccc(cc1)/C=NOCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3159927	401.436	NWQRJEFWSDYUSB-NKVSQWTQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124617
COC(=O)c1ccc(cc1)C=NOCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_26055956,PC-id_4845362,MCULE-6136931810	401.436	NWQRJEFWSDYUSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124618
COC(=O)c1ccc(/C=N/OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	CoCoCo_3159926,ZINC22_6561039,PC-id_9684365	401.436	NWQRJEFWSDYUSB-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124619
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1onc(n1)C(C)C	PC-id_43046222	401.436	ACTMBEXLLKJJDL-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-124620
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(NC(=O)C)cc1)C(=O)N	PC-id_7654140	401.436	SIGDFSNWEYCLER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124621
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccccc1)C(=O)N	PC-id_5228241	401.436	NECFEQFWGJBWLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124622
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(O)ccc1)C(=O)OCC	PC-id_4057046	401.436	JGTVOUGRALWSJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124623
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(O)ccc1)C(=O)OCC	PC-id_9644469	401.436	JGTVOUGRALWSJY-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-124624
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C=C
/C(=O)C=CC=C1)C(=O)OCC	PC-id_19658682	401.436	IBNQQFSWVREMHV-ZHACJKMWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-124625
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC=C1C(=O)C=CC=C1)C(=O)OCC	PC-id_73633183	401.436	IBNQQFSWVREMHV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-124626
c12c(CCC1C(=O)OCC)sc(NC(=O)C1CN(C1)C(=O)c1cnccn1)n2	PC-id_71785185,MCULE-9816428336,EMOLS-id_43488836	401.44	YKICTWXCBOFHMH-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-124627
c1(NC(=O)COc2nonc2CC(=O)N2CCCC2)sc2CCCc2c1C#N	EMOLS-id_333689639,MCULE-3932354058	401.44	KMBBUMQDAHBKKN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124628
c1(NC(=O)COc2nonc2C(=O)N2CCCCC2)sc2CCCc2c1C#N	EMOLS-id_333661131,MCULE-8015205585	401.44	QMAFOMUFGOHJPN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124629
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4CCCc34)cc2)c1C	EMOLS-id_335145406,MCULE-3554754809	401.44	BHQYHOLIPNLREZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124630
CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CN(C(=O)c4cnccn4)C3)nc12	PC-id_95376986,ZINC22_70809066	401.44	YKICTWXCBOFHMH-LLVKDONJSA-N	00001010100000100001000010000000000000000000000000000000	25-01-124631
CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(C(=O)c4cnccn4)C3)nc12	ZINC22_70809068,PC-id_95376987	401.44	YKICTWXCBOFHMH-NSHDSACASA-N	00001010100000100001000010000000000000000000000000000000	25-01-124632
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1n(nnn1)CCC	PC-id_18202264	401.44	RFHSHVDIEQQMHE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-124633
n12nc(nc1sc(=Cc1c[nH]nc1c1ccccc1)c2=O)COc1ccccc1	MCULE-6965515923	401.441	XSILMENIJGXOOU-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-124634
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)S(=O)(=O)c1cn(cn1)C	MCULE-4389820314,EMOLS-id_207863276	401.443	XPFGOQAINLORSW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-124635
S(c1n(NC(=O)c2nn(c3CCCc23)C)cnn1)CC(=O)NCc1occc1	PC-id_84467196	401.443	WEVWNGLGQHHURJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-124636
CC(C(c1cccc(c1)C(F)(F)F)NS(=O)(=O)c1cnc2n1CCC2)(C)C	MCULE-7346875225,PC-id_146090003,EMOLS-id_324050452	401.446	VVRNVHZLNQUGPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124637
CC(C)(C)[C@@H](NS(=O)(=O)c1cnc2n1CCC2)c1cccc(C(F)(F)F)c1	ZINC22_475800764	401.446	VVRNVHZLNQUGPY-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124638
CC(C)(C)[C@H](NS(=O)(=O)c1cnc2n1CCC2)c1cccc(C(F)(F)F)c1	ZINC22_475800765	401.446	VVRNVHZLNQUGPY-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124639
CCCCc1coc(c1)C(=O)c1ccc2n1CCC2(C(=O)OCC)C(=O)OCC	SCHEMBL9736186,PC-id_19914053	401.453	CRMSYAGJYIQNJV-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-124640
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_27522468	401.456	SWZYPKQMCMEPQV-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-124641
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_27522456	401.456	LGTSQQQWKRVXFA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-124642
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1ccc(OCC)cc1	PC-id_7126530	401.456	BXPKZWSAHGGGLC-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-124643
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_27522459	401.456	PCANOLAPIIBMFM-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-124644
s1c2CCCc2c(c1NC(=O)C(=O)NCc1ccc(OC(C)C)cc1)C(=O)[O-]	PC-id_8071873	401.456	MEELQIZWZCTXSA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-124645
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(s1)c1ccccn1	SCHEMBL14058098,PC-id_89239119	401.459	QZLFSRZIGAXJTH-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-124646
CN(c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C1CCN(CC1)C	SCHEMBL2091219,PC-id_67274719	401.459	XHQHNZLZZRKTET-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124647
CN(c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C1CCN(CC1)C	SCHEMBL2091221,PC-id_67274721	401.459	XHQHNZLZZRKTET-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124648
CNC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)nn(c2N)C(=O)OCC	SCHEMBL14521415,PC-id_71191377	401.459	GALCISNIKINDPI-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124649
O=C(Nc1sc2CCCc2c1C#N)c1ccc(cc1)N1C(=O)CCS1(=O)=O	EMOLS-id_327848440,MCULE-6896079983	401.459	AZVQTZRJJJGUIN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124650
O(C(=O)N1C(c2nn(c(N)c2C1)C(=O)OCC)(C)C)C(CNC)c1ccccc1	PC-id_78025448	401.459	GALCISNIKINDPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124651
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)CCCCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_54413211,PC-id_54413211	401.459	VVPGFENXTXQANW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124652
n12CCC(C(=O)N3CCN(CC3)c3ncccn3)c1ccc2C(=O)c1ccccc1	EMOLS-id_31799151,MCULE-9606972259,PC-id_46925747	401.461	GMSIIKXVTJFJMG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124653
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCN(c2ncccn2)CC1	PC-id_52451458,ZINC22_57476772	401.461	GMSIIKXVTJFJMG-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124654
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCN(c2ncccn2)CC1	ZINC22_57476771,PC-id_52451457	401.461	GMSIIKXVTJFJMG-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124655
O=C(c1cccc(c1)n1cccn1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109510	401.461	SRTHNCKXVAMKQK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-124656
NC(=O)c1c(NC(=O)CSc2nnc(c3cccnc3)o2)sc2c1CCC2	PC-id_7879152,CoCoCo_3084387,MCULE-9181823938,EMOLS-id_11861860,ZINC22_6100174	401.463	DUOMBEHWUYSHJY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-124657
s1c2CCC(c2nc1NC(=O)c1nc(sc1)c1nccnc1)C(=O)OCC	PC-id_49713716	401.463	GQNSSDAVXXQZDV-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-124658
n12N=C(C(C)(C)C)/C(=N/Nc3n(nc(c3[N+]#[C-])C)c3ccc(cc3)C)/c1nnc2C	PC-id_58961755	401.468	CWNBJFYPTHPJKV-ULJHMMPZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-124659
n12N=C(C(C)(C)C)C(=NNc3n(nc(c3[N+]#[C-])C)c3ccc(cc3)C)c1nnc2C	PC-id_72475707	401.468	CWNBJFYPTHPJKV-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-124660
COC(=O)c1c(c2ccc(F)cc2)csc1NC(=O)c1cc2c(s1)CCC2	CoCoCo_3186229,MCULE-9430419392,EMOLS-id_29591318,PC-id_45838639,ZINC22_40159469	401.474	BNFXOFAKJOHIGX-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-124661
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)C(C)C)C(=O)OC	PC-id_19237048,MCULE-6613391441	401.476	NFPTYESVZVQTGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124662
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1c(C)cc(cc1C)C)C(=O)OC	PC-id_2879031,MCULE-4218474807,EMOLS-id_1128671	401.476	YHJRNMKYWLKDGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124663
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(cc1)C)C(=O)OC	MCULE-3031315244,PC-id_19220493,EMOLS-id_9746455	401.476	UWKDGQDXXSKTCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124664
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)OCC	PC-id_5211590,MCULE-9374962462	401.476	MCWRIUNSQQNYOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124665
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)OC	MCULE-1339659349,PC-id_1193285	401.476	LBVHDSOASDJCKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124666
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-4406793083,EMOLS-id_300200524,PC-id_1181171	401.476	GLAVJFPGOHHYCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124667
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)OCC	PC-id_1181174,MCULE-9831975758	401.476	FAWNYPAKVDBXLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124668
CCOc1ccc(cc1OC)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_5904516	401.476	LBVHDSOASDJCKU-LUAWRHEFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124669
CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1OC	CoCoCo_5904515,ZINC22_957873,EMOLS-id_26519875,PC-id_1193286	401.476	LBVHDSOASDJCKU-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124670
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(c(c2)OC)OC)sc2c1CCC2	STOCK2S-59707,EMOLS-id_26279905,ZINC22_13533152,CoCoCo_673153	401.476	GLAVJFPGOHHYCN-LUAWRHEFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124671
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2CCCc12	PC-id_1666717,EMOLS-id_327849068	401.476	MCWRIUNSQQNYOB-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124672
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_940039,EMOLS-id_25870870,CoCoCo_673152,PC-id_2254711	401.476	GLAVJFPGOHHYCN-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124673
CCOC(=O)c1c(NC(=O)/C=Cc2cc(OC)ccc2OC)sc2c1CCC2	CoCoCo_5794535	401.476	FAWNYPAKVDBXLR-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124674
CCOC(=O)c1c(NC(=O)/C=C/c2cc(OC)ccc2OC)sc2c1CCC2	ZINC22_940043,PC-id_5341267,TIMTEC139137,CoCoCo_5794534,STOCK2S-63247,SPECS-id_AT-225/NB60141,EMOLS-id_25868231	401.476	FAWNYPAKVDBXLR-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124675
CCOC(=O)c1c(NC(=O)COc2ccccc2OCC=C)sc2CCCc12	EMOLS-id_327861708,MCULE-6745104392	401.476	MYPWZDKQDCHMKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124676
COC(=O)c1ccc(COC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)cc1	MCULE-5879604128,EMOLS-id_3551995,ZINC22_7735739,PC-id_8850712,CoCoCo_2879753	401.476	VNIQTQJJKPSWJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124677
COC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_1708428,ZINC22_951634,PC-id_1189216	401.476	YHJRNMKYWLKDGT-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124678
COC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc2c1[C@H](C(=O)OC)CC2	PC-id_1189215,ZINC22_951633,CoCoCo_1708429	401.476	YHJRNMKYWLKDGT-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124679
COC(=O)c1c(NC(=O)CCc2ccc(C)cc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_6355994,PC-id_35081363,ZINC22_27698725	401.476	UWKDGQDXXSKTCE-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124680
COC(=O)c1c(NC(=O)CCc2ccc(C)cc2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_35081368,ZINC22_27698730,CoCoCo_6355993	401.476	UWKDGQDXXSKTCE-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124681
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCC2OCCC2)cc1)C(=O)OC	PC-id_17222251	401.476	GDQGNRXPEIDRGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124682
s1c2c(CCC2)c(c1NC(=O)CCC(=O)OCCc1ccccc1)C(=O)OC	PC-id_4946736	401.476	YXAKSVDJVZKWQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124683
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)CC)C(=O)OCC	PC-id_7788090	401.476	KDIFIZGTDLVOQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124684
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc(c1)C)C)C(=O)OCC	PC-id_4000674	401.476	ADPYGKXJEFZDAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124685
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c(ccc1)C)C)C(=O)OCC	PC-id_7765094	401.476	MUFMBDNYCNXMJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124686
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cc(cc1)C)C)C(=O)OCC	PC-id_7796003	401.476	BWDHQDABPNHNNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124687
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CC)cc1)C(=O)OCC	PC-id_7775459	401.476	LWVDRIQDNAZYGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124688
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(c1ccccc1)(C)C)C(=O)OC	PC-id_24348256	401.476	DLMCMXXXUQWUPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124689
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(cccc1)C)C(=O)OCC	PC-id_7489050	401.476	IGNWDPNHLSBGDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124690
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(cc1)C)C(=O)OCC	PC-id_8200818	401.476	WPWSILWYGBQCGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124691
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1ccccc1)C(=O)OCC	PC-id_7819531	401.476	RSRXZMDFJNYQIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124692
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(CC)c1ccccc1)C(=O)OC	PC-id_24355695	401.476	NMBFGGPUXRLGJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124693
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](CC)c1ccccc1)C(=O)OC	PC-id_51486411	401.476	NMBFGGPUXRLGJL-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124694
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](CC)c1ccccc1)C(=O)OC	PC-id_51486412	401.476	NMBFGGPUXRLGJL-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124695
s1c2c(C[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc3)C2=O)cc1	PC-id_11292544	401.476	OQSIOJCZNJFNJP-JKSUJKDBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124696
s1c2c(C[C@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc3)C2=O)cc1	PC-id_11429530	401.476	OQSIOJCZNJFNJP-HOTGVXAUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124697
s1c2c(CC(OC(=O)C(NC(=O)OC(C)(C)C)Cc3ccccc3)C2=O)cc1	PC-id_72786800	401.476	OQSIOJCZNJFNJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124698
c12c(CCC1C(=O)NCc1cccs1)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947225,EMOLS-id_12346511,MCULE-1084636462	401.478	FTJMQLYCTIUNNX-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-124699
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CCS2(=O)=O	NSC380730,ZINC22_1591132,LI_75178,CoCoCo_5635256,PC-id_342842	401.478	ZQWBMHISRQWERO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124700
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CS(=O)(=O)C2	CoCoCo_5631146,NSC373600,PC-id_341457,CHEMBL292720,ZINC22_1589102	401.478	KTWLMHVCJJUDFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124701
NC(=O)c1c(NC(=O)Cc2csc(c3ccc(F)cc3)n2)sc2c1CCC2	MCULE-7198044543,ZINC22_9534455,CoCoCo_3662891,PC-id_16360476,EMOLS-id_11805245	401.478	AJIMMQCDFHEOCI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124702
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1cccs1)c1ccc(F)cc1	CoCoCo_5124758,PC-id_40945470,ZINC22_9131536	401.478	FTJMQLYCTIUNNX-CQSZACIVSA-N	00000010100100110001000010000000000000000000000000000000	25-01-124703
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1cccs1)c1ccc(F)cc1	ZINC22_9131537,PC-id_40945471,CoCoCo_5124759	401.478	FTJMQLYCTIUNNX-AWEZNQCLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-124704
s1c2CCCc2cc1C(=O)NNC(=O)c1sc(nc1C)c1ccc(F)cc1	PC-id_26771299	401.478	RWZMTWSWSREWOJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124705
C1(CC(=O)N(C)C1c1cccc(OC)c1OC)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323402673,MCULE-5841182982	401.479	RIGIGMIEMOZDPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124706
c1(NC(=O)COc2cn(c(cc2=O)C)CCCOC)sc2CCCc2c1C#N	MCULE-1330757370,EMOLS-id_331630786	401.479	MGIOJKZLXVWYEL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124707
c1(NC(=O)C(=O)NCc2ccc(cc2)OC(C)C)sc2c(CCC2)c1C(=O)N	ZINC22_6719593,PC-id_8056912,CoCoCo_6533819,MCULE-3181730342,STOCK6S-10352,EMOLS-id_4740154	401.479	UTUIDKXKAWWGTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124708
c1(NC(=O)NN=Cc2ccccc2OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4056758513,PC-id_19168806	401.479	IAWDYBXMHSHNDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124709
c1(NC(=O)NN=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_19168828,MCULE-3704928298	401.479	AUAWBYPLYJBQPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124710
CCOC(=O)c1c(NC(=O)CNc2ccc(NC(=O)C)cc2)sc2c1CCC2	ZINC22_3434462,PC-id_2554174,EMOLS-id_3364047,CoCoCo_3686020,MCULE-9144619522	401.479	CGIKVBKGSDEHMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124711
COc1ccc(cc1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109601	401.479	SRGQYRUBQZJKIJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124712
O=C(OC(C)(C)C)Nc1ccc(cc1)C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_26281102,MCULE-7689967641,CoCoCo_4086493,EMOLS-id_23675056	401.479	QFSRZKCPYBVODX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124713
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1[n+]([O-])cccn1	PC-id_52862695	401.479	WYXAXLWANUNKNQ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-124714
s1c2c(CCC2)c(c1NC(=O)c1ccc(N(C)C)cc1)C(=O)NC(=O)OCC	PC-id_7521555	401.479	OHKQHIKHOBCLMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124715
s1c2CCCc2c(c1NC(=O)CCN(Cc1oc(c(c1)C(=O)OC)C)C)C#N	PC-id_78830376	401.479	HZLKFWFGMAGRIZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-124716
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(N(C)C)cc1)C)C(=O)N	PC-id_52499987	401.479	PMAUPRHCRZXLQQ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-124717
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(N(C)C)cc1)C)C(=O)N	PC-id_52499992	401.479	PMAUPRHCRZXLQQ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124718
s1c2c(CCC2)c(c1NC(=O)CNc1c(ccc(c1)C(=O)N)C)C(=O)OCC	PC-id_56196429	401.479	IYFIWQYXDVWPKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124719
s1c2c(CCC2)c(c1NC(=O)CN(Cc1occc1)CCC#N)C(=O)OCC	PC-id_78822933	401.479	VHLXNGFDGLVDHD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-124720
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(N(C)C)cc1)C)C(=O)N	PC-id_75859940	401.479	PMAUPRHCRZXLQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124721
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(C2CC2)c(c1)C)C)C(=O)N	PC-id_8672588	401.479	BIKPKUIGZDQEKZ-UHFFFAOYSA-N	00100010110000000000100010000000000000000000000000000000	25-01-124722
s1c2CCCc2c(c1NC(=O)COC(=O)C1CN(C2CCCC2)C(=O)C1)C#N	PC-id_78691737	401.479	NIQUQCVXGSBHPA-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-124723
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H]1CN(C2CCCC2)C(=O)C1)C#N	PC-id_8422727	401.479	NIQUQCVXGSBHPA-GFCCVEGCSA-N	00000010100000000000100010000000000000000000000000000000	25-01-124724
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H]1CN(C2CCCC2)C(=O)C1)C#N	PC-id_8422728	401.479	NIQUQCVXGSBHPA-LBPRGKRZSA-N	00000010100000000000100010000000000000000000000000000000	25-01-124725
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCC1OCCC1	PC-id_16947846	401.479	RELUPJXBAATIRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124726
s1c2CCC(C(=O)N3CCCC3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16947972	401.479	XYWJOFDZRPTOAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124727
Cc1c2n(CCO2)nc1C(=O)NCCN1CCN(CC1)S(=O)(=O)CCOC	PC-id_91959931	401.481	RJQNJMMUBPCDEF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124728
CN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ccc1F	PC-id_143732553	401.481	UTEWTARCAPGGLA-ZDUSSCGKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-124729
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(cc1)F)N1CCOCC1	PC-id_111020373	401.481	NOXVAFZXNJGKDO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124730
COc1ccccc1/C=C/C=c/1sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O	ZINC22_16735650,EMOLS-id_45964879	401.481	KMKFHWJVKXSNIO-XDPRAKLUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124731
n12nc(nc1sc(=Cc1ccc(cc1)OCC=C)c2=O)C=Cc1ccc(cc1)C	MCULE-2796244585	401.481	KAYFTZAOLZUULZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124732
n12nc(nc1sc(=Cc1ccccc1OCC=C)c2=O)C=Cc1ccc(cc1)C	MCULE-6552247810	401.481	YYOMGRIAMOAIIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124733
n12nc(nc1sc(=CC=Cc1ccccc1OC)c2=O)C=Cc1ccc(cc1)C	MCULE-7375259391	401.481	KMKFHWJVKXSNIO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124734
Cc1csc(n1)C/C=CC1=CCCN(C1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19674859	401.483	RNECRYSPFQUKBF-UABKOXTMSA-N	00000010100011000001000010000000000000000000000000000000	25-01-124735
CC[NH+](CCOc1ccccc1NC(=O)C(=O)NCc1nnc2n1CCC2)CC	GD-id_ZINC41223537	401.483	RJUGIWKOSWSZTB-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-124736
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(nn1)N1CCCCC1	PC-id_121028073	401.483	FGDVORPYUBYWGC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-124737
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ncnc(c1)N1CCCCC1	PC-id_92104703	401.483	QGAFEXUWQWQKRA-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-124738
O=C(c1ccc(cc1)S(=O)(=O)Nc1cc[nH+]cc1)Nc1sc2c(n1)CCC2	GD-id_ZINC29020333,PC-id_36194366	401.483	NLZHLWYVSIFTTG-UHFFFAOYSA-O	00000010100000111001000010000000000000000000000000000000	25-01-124739
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccn1)C(=O)OC	PC-id_22199046	401.483	CTLJAOBMDCSBGM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-124740
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1nc(ccc1)C)C)C(=O)N	PC-id_56413974	401.483	AMUNENPRTRGUIO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124741
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1nccc(c1)C)C)C(=O)N	PC-id_56469813	401.483	LSMRNKDLTXOLRQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124742
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1csc2c1SC(C2)C	PC-id_14153213,SCHEMBL9832639	401.484	XCBCOZYWLGOEGB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-124743
CN(C)C1CCN(CC1)C(=O)c1cc2N(CCc2s1)C(=O)c1ccc(F)cc1	PC-id_97524491,EMOLS-id_44378948,ZINC22_96264552	401.498	OEZRSKJJSDBABF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-124744
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCC1CCCCC1	PC-id_16947313	401.498	KWFFQEFYUPOMAD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124745
s1c2CCC(C(=O)NC3CCCCCC3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947212	401.498	GFGBRMKLMFJAJG-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-124746
s1c2CCCc2cc1C(=O)OCc1nc(sc1)c1cc(OC)c(OC)cc1	PC-id_7238684	401.499	GIJHQHUZJJDJNX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124747
s1c2CCCc2cc1C(=O)OCc1nc(sc1)c1c(OC)c(OC)ccc1	PC-id_7623947	401.499	QZOCFWYRLWYEHO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124748
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCOCC1)c1ccccc1)C(=O)OC	PC-id_7274395	401.499	OBXQHWVANUDJHN-GOSISDBHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-124749
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCOCC1)c1ccccc1)C(=O)OC	PC-id_7274397	401.499	OBXQHWVANUDJHN-SFHVURJKSA-O	00000010100010110001000010000000000000000000000000000000	25-01-124750
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCOCC1)c1ccccc1)C(=O)OC	PC-id_78467627	401.499	OBXQHWVANUDJHN-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-124751
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)c1c(OC)cccc1	PC-id_7145016	401.499	RBGICXUUPZJZCW-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-124752
s1c2c(c(C(=O)NC3CC3)c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])CCC2	PC-id_74533887	401.499	HMUFGBIGWBOOGP-UHFFFAOYSA-M	00100010100011000000000010000000000000000000000000000000	25-01-124753
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])CCC2	PC-id_27522491	401.499	HMUFGBIGWBOOGP-CABCVRRESA-M	00100010100011000000000010000000000000000000000000000000	25-01-124754
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])CCC2	PC-id_27522493	401.499	HMUFGBIGWBOOGP-GJZGRUSLSA-M	00100010100011000000000010000000000000000000000000000000	25-01-124755
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])CCC2	PC-id_27522495	401.499	HMUFGBIGWBOOGP-HUUCEWRRSA-M	00100010100011000000000010000000000000000000000000000000	25-01-124756
s1c2c(c(C(=O)NC3CC3)c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])CCC2	PC-id_27522497	401.499	HMUFGBIGWBOOGP-LSDHHAIUSA-M	00100010100011000000000010000000000000000000000000000000	25-01-124757
s1c2c(c(C(=O)NC3CCCC3)c1NC(=O)C1C(CC=CC1)C(=O)[O-])CCC2	PC-id_74533889	401.499	UDLVDBPNXKKGGT-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-124758
s1c2c(c(C(=O)NC3CCCC3)c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])CCC2	PC-id_27522507	401.499	UDLVDBPNXKKGGT-UONOGXRCSA-M	00000010100011000000000010000000000000000000000000000000	25-01-124759
s1c2c(c(C(=O)NC3CCCC3)c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])CCC2	PC-id_27522509	401.499	UDLVDBPNXKKGGT-KBPBESRZSA-M	00000010100011000000000010000000000000000000000000000000	25-01-124760
s1c2c(c(C(=O)NC3CCCC3)c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])CCC2	PC-id_27522511	401.499	UDLVDBPNXKKGGT-ZIAGYGMSSA-M	00000010100011000000000010000000000000000000000000000000	25-01-124761
s1c2c(c(C(=O)NC3CCCC3)c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])CCC2	PC-id_27522513	401.499	UDLVDBPNXKKGGT-KGLIPLIRSA-M	00000010100011000000000010000000000000000000000000000000	25-01-124762
CCc1ccc(NC(=O)C)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328219001,MCULE-6377174666	401.501	WBWGAJCUGPTZSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124763
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1N1CCOCC1	EMOLS-id_328219256,MCULE-5284188094	401.501	PUCUEJOUKXDEAK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124764
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)N1CCOCC1	EMOLS-id_328221811,MCULE-1711455476	401.501	SNHQNYAYNWVPDL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124765
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_22200234	401.501	MAGURSVYLXUNHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124766
c1(c(C)nc(c2ccc(c(OC)c2)OC)s1)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323326483,MCULE-5979745080	401.502	TUAUHHIRTBHSFL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124767
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c(CCC2)c1C#N	MCULE-8363105526,PC-id_1185420,ZINC22_946510,EMOLS-id_1355979,BAS-01912540,CoCoCo_222135	401.502	OEXNCASVOPJMKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124768
c1(NC(=O)c2sc(nc2C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7785284664,EMOLS-id_334342818	401.502	WZEZKMGKRSKLEC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-124769
c
(=N/C(=O)Cc2csc(c3ccc(c(OC)c3)OC)n2)/sc2c(CCC2)[nH]1	STOCK7S-07854,EMOLS-id_46561856,MCULE-4882267893,ZINC22_15636923,PC-id_51053745,EMOLS-id_31666536	401.502	PTNIETQVNPYQLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124770
c1(NC(=O)CSc2nc(C)ccc2C#N)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AM-807/14147251,CoCoCo_1015916,EMOLS-id_2005915,STOCK2S-88984,ZINC22_663273,ChEMBL-DNDi_CHEMBL7903773,PC-id_1005123,MCULE-2028972952	401.502	AHYJKHNKGJXHCN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124771
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2C)sc2c(CCC2)c1C#N	EMOLS-id_320679016,MCULE-8844228961	401.502	KFYIYWGFYUSZAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124772
c1(NC(=O)CS(=O)CC(=O)Nc2cccc(C)c2)sc2c(CCC2)c1C#N	MCULE-9153761696,EMOLS-id_320678504	401.502	BLBCIFUWASZGKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124773
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)C(C)C(=O)Nc1ccccc1	EMOLS-id_186575815,MCULE-8875824256	401.502	OWJBGDKINBOBBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124774
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)Nc1ccc(C)cc1	EMOLS-id_186572642,MCULE-1243030755	401.502	MOXNIIMSOBBMRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124775
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)NCc1ccccc1	EMOLS-id_186577900,MCULE-4656886835	401.502	VKAGSIDULJSZHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124776
COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_8053652,PC-id_9184976	401.502	KXVKNZPDVCSQOA-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124777
COC(=O)c1c(NC(=O)CSc2nc(C)cc(C)c2C#N)sc2c1CCC2	MCULE-7269024038,PC-id_2341488,ZINC22_12604026,CoCoCo_2897988,EMOLS-id_43715657	401.502	BWCGAHKZMLQPRQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124778
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCC3)CC1	CHEMBL1560211,BindingDB_PC-id_9426676,EMOLS-id_3598693,MCULE-7333946558,ZINC22_8303272,PC-id_9426676,BindingDB-id_165116,CoCoCo_3213032,ChEMBL-DNDi_CHEMBL1560211	401.502	SOGZPOHUELTLAS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124779
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	EMOLS-id_3633502,ZINC22_9645459,CoCoCo_4161101,MCULE-2771135109,PC-id_16345406	401.502	RTIAFOBMZSXUQS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124780
N#Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc2c1CCC2	EMOLS-id_16772439,MCULE-1192795581,PC-id_17532451,ZINC22_12807444,CoCoCo_3268199	401.502	PUNWIBCADGDUJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124781
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(O)cccc1)C(=O)N	PC-id_8529529	401.502	BZJIZBUQDKTRCP-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-124782
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncccc1)C(=O)OC	PC-id_25985946	401.502	XFHMKYGBYSRCRA-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-124783
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(cc1)C)C)C(=O)N	PC-id_8729725	401.502	FTCZSQCZSQPLFK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-124784
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCOC)cc1)C#N	PC-id_17353875	401.502	KUQLAAGCWDBNGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124785
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCCOC)cccc1)C#N	PC-id_17356041	401.502	DELWSIMUTSDGSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124786
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1ccc(OC)cc1)C(=O)N	PC-id_84947484	401.502	KXVKNZPDVCSQOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124787
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1cc(ccc1)C#N	PC-id_56832450	401.502	WNOMEDJQCFWJQA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124788
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_41363947	401.502	SFZRNTPMEQDNRM-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-124789
COc1ccc(cc1C(NC(=O)CNC(c1nnc2n1CCC2)C(C)C)C)OC	PC-id_75457158,MCULE-8970471025,EMOLS-id_48836026	401.503	ZFOUMNKUMDRYPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124790
COc1ccc(OC)c([C@H](C)NC(=O)CN[C@@H](c2nnc3n2CCC3)C(C)C)c1	PC-id_97307192,ZINC22_95941299	401.503	ZFOUMNKUMDRYPM-VBKZILBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124791
COc1ccc(OC)c([C@H](C)NC(=O)CN[C@H](c2nnc3n2CCC3)C(C)C)c1	ZINC22_95941298,PC-id_97307191	401.503	ZFOUMNKUMDRYPM-XOBRGWDASA-N	00000010100000110001000010000000000000000000000000000000	25-01-124792
COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@H](c2nnc3n2CCC3)C(C)C)c1	ZINC22_95941300,PC-id_97307193	401.503	ZFOUMNKUMDRYPM-VLIAUNLRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124793
COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@@H](c2nnc3n2CCC3)C(C)C)c1	ZINC22_95941301,PC-id_97307194	401.503	ZFOUMNKUMDRYPM-JLTOFOAXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124794
n12c(=O)c(=Cc3ccsc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6623410355	401.504	ZXZCQAOLLUTAHC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-124795
O=c1n2nc(nc2s/c/1=Cc1ccsc1)C(c1ccccc1)c1ccccc1	EMOLS-id_324824062	401.504	ZXZCQAOLLUTAHC-AQTBWJFISA-N	00000000100100110001000010000000000000000000000000000000	25-01-124796
c1(NC(=O)COc2cccnc2NC(=S)NCC)sc2c(CCC2)c1C#N	MCULE-5970410860,EMOLS-id_321808754	401.506	AUFKFZFOKCHHLY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124797
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ncccn1)C)C(=O)N	PC-id_9445600	401.506	DMDUTKXRFLFGCJ-LBPRGKRZSA-O	00000010100010100001100010000000000000000000000000000000	25-01-124798
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ncccn1)C)C(=O)N	PC-id_9445602	401.506	DMDUTKXRFLFGCJ-GFCCVEGCSA-O	00000010100010100001100010000000000000000000000000000000	25-01-124799
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ncccn1)C)C(=O)N	PC-id_85010822	401.506	DMDUTKXRFLFGCJ-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-124800
c1(ccccc1C(C)C)OC(C)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327834055,MCULE-2857760969	401.519	CWJNCIBXWVZSSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124801
c1(NC(=O)CCCOc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)OC	MCULE-6174296186,PC-id_1677660	401.519	UXRLOCJFEPNNRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124802
c1(NC(=O)CCCOc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_19207343,MCULE-6973688727	401.519	KHWZCGSEPHSQQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124803
c1(NC(=O)CCCOc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_1666646,MCULE-1677460629	401.519	DFSOZXHFOXJUHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124804
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)OCC	PC-id_1685531,EMOLS-id_327874771,MCULE-8093105302	401.519	JTAPSXBQSBGPNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124805
c1(NC(=O)CCCOc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)OCC	PC-id_1652434,MCULE-1544960927	401.519	DZEPBMHCVKRTBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124806
c1(NC(=O)CCCOc2cccc(C)c2C)sc2c(CCC2)c1C(=O)OCC	PC-id_1677564,MCULE-2467489494	401.519	MCYZJDZQSMBWNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124807
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_3427962,MCULE-5847143794	401.519	XCMXENNOGZGAAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124808
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_327866574,PC-id_4953631,MCULE-7883999914	401.519	FKACPKKEYSFESW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124809
c1(NC(=O)COc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1695441,PC-id_985961,EMOLS-id_1856885,TIMTEC21719,ZINC22_633201,MCULE-9103749194,ChEMBL-DNDi_CHEMBL2279-3833	401.519	YTMIIHRVNCQLHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124810
c1(NC(=O)COc2ccccc2C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_715543,EMOLS-id_1281170,CoCoCo_139153,PC-id_1042634,BAS-00836746,ChEMBL-DNDi_CHEMBL2279-0328,MCULE-6752362425,SPECS-id_AF-399/37112008	401.519	DLRCKIYBSAOQET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124811
c1(NC(=O)COc2ccc(c(C)c2)C(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-1704751098,PC-id_19172760	401.519	VFMNTWNPPOGFGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124812
c1(NC(=O)COc2cc(C)ccc2C(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_1112466,BAS-00570343,MCULE-6794033476,CoCoCo_96718,ChEMBL-DNDi_CHEMBL1683-0634,EMOLS-id_1088684,ZINC22_846890	401.519	KWMBJFXHVUAXFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124813
c1(OCCCC(=O)Nc2sc3CCCc3c2C(=O)OCC)c(C)cccc1C	EMOLS-id_327872705,MCULE-5143587249	401.519	WYWJKQIXLKMDOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124814
CCOC(=O)c1c(NC(=O)COc2cc(C(C)C)ccc2C)sc2c1CCC2	ZINC22_5860407,PC-id_4331329,EMOLS-id_43413312,CoCoCo_2836844,MCULE-8123861057	401.519	MBWXZEVNNNUEEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124815
CCOC(=O)c1c(NC(=O)COc2ccc([C@H](C)CC)cc2)sc2c1CCC2	ZINC22_7072878	401.519	CIUGMXIZGUWECZ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124816
CCOC(=O)c1c(NC(=O)COc2ccc([C@@H](C)CC)cc2)sc2c1CCC2	ZINC22_7079947	401.519	CIUGMXIZGUWECZ-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124817
O=C(OC(C)(C)C)NC(C(=O)CC1C(O)Cc2c1ccs2)Cc1ccccc1	PC-id_143274665	401.519	JNFGPGQCRMJECS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124818
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCCCC)cc1)C(=O)OCC	PC-id_4410345	401.519	DWTLHHLRIJINOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124819
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCC(C)C)cc1)C(=O)OCC	PC-id_4948159	401.519	BUIMSXMJUIPJDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124820
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCCCCC)cc1)C(=O)OC	PC-id_4933569	401.519	DAACBFJFGMDZSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124821
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCC(C)C)ccc1)C(=O)OCC	PC-id_4981676	401.519	BXXJGQQQOXCZSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124822
s1c2c(CCC2)c(c1NC(=O)c1c(OCCC(C)C)cccc1)C(=O)OCC	PC-id_4943435	401.519	SKVLNRRVINHISR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124823
s1c2c(CCC2)c(c1NC(=O)c1c(OCCCCC)cccc1)C(=O)OCC	PC-id_4946568	401.519	YOCSRBQAZZKITH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124824
s1c2c(CCC2)c(c1NC(=O)c1c(OCCCCCC)cccc1)C(=O)OC	PC-id_4942008	401.519	MXOKLEYBNPGOKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124825
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1ccc(C(C)C)cc1)C)C(=O)OCC	PC-id_9239221	401.519	FKACPKKEYSFESW-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124826
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1ccc(C(C)C)cc1)C)C(=O)OCC	PC-id_9239235	401.519	FKACPKKEYSFESW-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124827
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_1641715	401.519	XCMXENNOGZGAAT-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124828
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_1641717	401.519	XCMXENNOGZGAAT-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124829
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(C(CC)C)cccc1)C)C(=O)OC	PC-id_17129859	401.519	DYVXAVVNUSQHBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124830
s1c2c(CCC2)c(c1NC(=O)COc1ccc(C(CC)C)cc1)C(=O)OCC	PC-id_19631079	401.519	CIUGMXIZGUWECZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124831
s1c2c(CCC2)c(c1NC(=O)COc1c(C(CC)C)cccc1)C(=O)OCC	PC-id_4659663	401.519	VHGBNHGGAFWABB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124832
s1c2c(CCC2)c(c1NC(=O)COc1ccc(C(CC)(C)C)cc1)C(=O)OC	PC-id_17093213	401.519	UQHJQQVENULUCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124833
s1c(c2C(N(Cc2c1C)Cc1ccccc1)C(C(=O)OCC)C(=O)OCC)C	PC-id_10431175	401.519	ZUPCGGUHEGHMPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124834
S1(=O)(=O)C[C@@H]([NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)CC1	PC-id_2414262	401.521	ZQEQUCYERQWHAC-NSHDSACASA-O	00000010100000000000000010000000000000000000000000000000	25-01-124835
S1(=O)(=O)C[C@H]([NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)CC1	PC-id_2414266	401.521	ZQEQUCYERQWHAC-LLVKDONJSA-O	00000010100000000000000010000000000000000000000000000000	25-01-124836
S1(=O)(=O)CC([NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)CC1	PC-id_78272130	401.521	ZQEQUCYERQWHAC-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-124837
c1(c2CCCc2sc1NC(=O)CNC(C)(C)C)C(=O)Nc1ccc(cc1)OC	EMOLS-id_2783526,MCULE-8733447773,CoCoCo_6728242,ZINC22_4553408,PC-id_3742520,TIMTEC210309	401.522	ICPICCRLTPIWRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124838
CC(=C/C=C(C=C)/NCc1c2CN(C(=O)c2cs1)C(CCC=O)C(=O)NC)C	PC-id_135178725,SCHEMBL20329415	401.522	ALCPVRBMTPVUEP-OQLLNIDSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124839
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(CC)CC)cc1OCC	EMOLS-id_324855520	401.522	XGVPJRLFNYXQQJ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-124840
CC(=O)c1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110034	401.522	QIUIGJRVGXSAIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124841
CCOC(=O)c1c(NC(=O)CN2CCCC2c2cccn2C)sc2c1CCC2	PC-id_4787985,MCULE-5852822375,EMOLS-id_3415952	401.522	UKGRNTIZIBQYAZ-UHFFFAOYSA-N	00000010110000000000100010000000000000000000000000000000	25-01-124842
CCOC(=O)c1c(NC(=O)CN2CCC[C@H]2c2cccn2C)sc2c1CCC2	CoCoCo_3882066,ZINC22_6602448,PC-id_8008731,CoCoCo_3882068	401.522	UKGRNTIZIBQYAZ-INIZCTEOSA-N	00000010110000000000100010000000000000000000000000000000	25-01-124843
CCOC(=O)c1c(NC(=O)CN2CCC[C@@H]2c2cccn2C)sc2c1CCC2	CoCoCo_3882067,ZINC22_6602447,CoCoCo_3882065,PC-id_8008733	401.522	UKGRNTIZIBQYAZ-MRXNPFEDSA-N	00000010110000000000100010000000000000000000000000000000	25-01-124844
COc1ccc(cc1CN(C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C)C	MCULE-5275811838,EMOLS-id_24999651,PC-id_45856779	401.522	NNJAVYXVBJUJCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124845
COc1ccc(C)cc1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_29158880,CoCoCo_4245222,PC-id_36334437,CoCoCo_4245220	401.522	NNJAVYXVBJUJCX-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124846
COc1ccc(C)cc1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_29158885,CoCoCo_4245221,PC-id_36334444,CoCoCo_4245219	401.522	NNJAVYXVBJUJCX-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124847
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCCC)sc1nc(C(CC)CC)n2	MCULE-9570916005	401.522	XGVPJRLFNYXQQJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124848
O(c1c(C[NH+](Cc2n[nH]c3c2CCC3)C)cccc1OC)CCN1CCOCC1	PC-id_52395308	401.522	MJWNQNUUKLNTNP-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-124849
Oc1cc(O)c(cc1C(=O)N1Cc2c(C1)cc(s2)CN1CCNCC1)C(C)C	PC-id_141750767	401.522	IVVJDCNVWRRHJP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124850
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1ccc(OCC)cc1)C)C)C(=O)N	PC-id_9494918	401.522	KJFPUIJLNBRJPD-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124851
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1ccc(OCC)cc1)C)C)C(=O)N	PC-id_9494922	401.522	KJFPUIJLNBRJPD-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124852
s1c2c(CCC2)c(c1NC(=O)[C@H](N(CCOc1c(cccc1)C)C)C)C(=O)N	PC-id_26425598	401.522	RQZUFTLFBXHYNI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124853
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(CCOc1c(cccc1)C)C)C)C(=O)N	PC-id_26425600	401.522	RQZUFTLFBXHYNI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124854
s1c2c(CCC2)c(c1NC(=O)[C@H](N(CCOc1ccc(cc1)C)C)C)C(=O)N	PC-id_26429754	401.522	JWHFNOPATAOFHY-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124855
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(CCOc1ccc(cc1)C)C)C)C(=O)N	PC-id_26429756	401.522	JWHFNOPATAOFHY-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124856
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1ccc(OCC)cc1)C)C)C(=O)N	PC-id_85025903	401.522	KJFPUIJLNBRJPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124857
s1c2c(CCC2)c(c1NC(=O)C(N(CCCOc1ccccc1)C)C)C(=O)N	PC-id_46444362	401.522	ZXPRHINLQDHBHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124858
s1c2c(CCC2)c(c1NC(=O)C(N(CCOc1c(cccc1)C)C)C)C(=O)N	PC-id_24507574	401.522	RQZUFTLFBXHYNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124859
s1c2c(CCC2)c(c1NC(=O)C(N(CCOc1ccc(cc1)C)C)C)C(=O)N	PC-id_24507696	401.522	JWHFNOPATAOFHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124860
s1c2c(CCC2)c(c1NC(=O)C(N(CCOc1cc(ccc1)C)C)C)C(=O)N	PC-id_55431516	401.522	GSGWERCJGDEURY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124861
s1c2CCCc2nc1CN1CCN(CC1)C(=O)Cc1cc(OC)c(OC)cc1	PC-id_44060403	401.522	JOUCRGKOTHGLPE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124862
s1c2CCCc2nc1CN1CCN(CC1)C(=O)COc1ccc(OCC)cc1	PC-id_44060396	401.522	LYQJRANZLQGTAO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124863
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N(CCC)CCC	PC-id_16947810	401.522	KZZRDVPYAADDOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124864
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N(C(C)C)C(C)C	PC-id_16947811	401.522	RNTXGYWSQSQURN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124865
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1	EMOLS-id_324915725	401.524	RNPMMDSUMYTUDH-RPAITNTNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124866
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C=Cc1ccc(cc1)C	MCULE-4307455407	401.524	RNPMMDSUMYTUDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124867
s1c2CCCc2c(c1NC(=O)CN(C(c1ccccc1)c1ccccc1)C)C#N	PC-id_8730410	401.524	WPUBHXJRVZKOKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124868
CN(c1cc2=NC(=C(C34CCCCC3N4)N)C=c2s1)C(=O)CN1CCOCC1	PC-id_90077349	401.526	MLARQZNWNGKVGT-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-124869
CN(c1cc2=NC(=C(C3=C(CCCC3)N)N)C=c2s1)C(=O)CN1CCOCC1	PC-id_90077342	401.526	MOQJEIFAXSFCAU-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-124870
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)NC1CC1)C#N	PC-id_55481948	401.526	HOBNQQNUPFVGCJ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-124871
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1[nH+]cccc1)C)C(=O)N	PC-id_9459381	401.526	KIXNXMSYVSEJIK-ZDUSSCGKSA-P	00000010100010101001100010000000000000000000000000000000	25-01-124872
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1[nH+]cccc1)C)C(=O)N	PC-id_9459383	401.526	KIXNXMSYVSEJIK-CYBMUJFWSA-P	00000010100010101001100010000000000000000000000000000000	25-01-124873
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1[nH+]cccc1)C)C(=O)N	PC-id_85014255	401.526	KIXNXMSYVSEJIK-UHFFFAOYSA-P	00000010100010101001100010000000000000000000000000000000	25-01-124874
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)Cc1sccc1)C#N	PC-id_16607403	401.529	XZHCOFIDKCNAKI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-124875
s1c2c(CCC2)c(c1NC(=O)C[n+]1ccc(C(CC)CC)cc1)C(=O)OCC	PC-id_8877775	401.542	OLVYEFZANWNUJV-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-124876
CCN(CC)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C)c1	MCULE-4659127121,EMOLS-id_328219263	401.544	LLRYKFZHRKXHHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124877
CCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956500	401.544	LSIVOZDWZGFBSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124878
CN(CCCNC(=O)c1cc2CCCc2n1Cc1ccccc1)Cc1ccccc1	MCULE-1874847483,EMOLS-id_328214398	401.544	UACXGXNSCGEMAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124879
c1(C(=O)N2CCC(CC2)CCC(=O)NCC2CCCN2CC)c2CCCc2[nH]n1	MCULE-6517427733,PC-id_45251885,EMOLS-id_20745549	401.546	MNIJDDNFRLHJDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124880
c1(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_603027,SPECS-id_AT-225/NB59650,PC-id_978446,MCULE-4601462415,TIMTEC193952,ZINC22_622233,CoCoCo_654069	401.546	HKHDUMCAZKIUBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124881
CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_15077661,PC-id_26410212,CoCoCo_1640787,CoCoCo_1640789,CoCoCo_1640785,CoCoCo_1640791	401.546	MNIJDDNFRLHJDX-QGZVFWFLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124882
CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_15077663,CoCoCo_1640788,CoCoCo_1640786,CoCoCo_1640790,PC-id_26410214,CoCoCo_1640784	401.546	MNIJDDNFRLHJDX-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-124883
N#Cc1c(NC(=O)CN(Cc2cccs2)CC2CCCO2)sc2c1CCC2	EMOLS-id_11766703,MCULE-2731418842,PC-id_16329894	401.546	QBQBSVUXDMBDMB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-124884
N#Cc1c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2	CoCoCo_3985369,PC-id_9055299,CoCoCo_3985367,ZINC22_58172509	401.546	QBQBSVUXDMBDMB-CQSZACIVSA-N	00000010100100000000000010000000000000000000000000000000	25-01-124885
N#Cc1c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2	PC-id_9055297,CoCoCo_3985368,ZINC22_58172508,CoCoCo_3985366	401.546	QBQBSVUXDMBDMB-AWEZNQCLSA-N	00000010100100000000000010000000000000000000000000000000	25-01-124886
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1ccccc1)C(=O)OC	PC-id_19654367	401.546	JXBBTKWDDYJNIT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124887
Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1C1CCCCC1	PC-id_16291709,ZINC22_8189861,MCULE-7311121017,CoCoCo_2891814,EMOLS-id_11709015	401.549	VXBOAWKJEGWWSM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-124888
s1c2c(CCC2)c(c1NC(=O)CCN1CCCN(CC1)c1sccn1)C#N	PC-id_48394368	401.549	ATMJFYOVBNPUEM-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-124889
OCCCOc1ccc(cc1C)CNC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C	PC-id_143171820	401.562	NTZRVDMZETZTKH-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124890
CCCCCC1C(CC(=O)NCCOC)Cc2c1nc(s2)Nc1ccccc1	PC-id_42602870,SCHEMBL11988488	401.565	ADNUJPRQNZDISY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124891
N1(CCCCCCC1)C(=O)CCCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-9042796052,EMOLS-id_328194991	401.565	OERLQDKPCVQQIJ-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-124892
CCCCN(c1ccc(s1)/C=c
/c(C)nn2c1nnc2C(COC)(C)C)CC	PC-id_58753029,SCHEMBL13237370	401.569	ZIZHVBKHUIKQJI-LGMDPLHJSA-N	00000000100100000001000010000000000000000000000000000000	25-01-124893
s1c(N(CCCC)CC)ccc1C=c1c2n(nc1C)c(nn2)C(COC)(C)C	PC-id_72412878	401.569	ZIZHVBKHUIKQJI-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-124894
CCNC(=NCc1nnc2n1CCC2)NCC1CCCN(C1c1cccs1)C	PC-id_111665876	401.572	BNYILAIFEFFWHB-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-124895
CN=C(NCc1nnc2n1CCC2)NCC(c1cccs1)N1CCC(CC1)C	PC-id_111020387	401.572	UUKOQZALDHIUDD-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-124896
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C1CCC(CC1)C(C)C	PC-id_109563012	401.592	KVNWHBZWAMMRLZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-124897
Clc1c(OCC(=O)Nc2sc3CCCc3c2C#N)cc(Cl)c(Cl)c1	PC-id_4511564	401.695	XNCUKVLTSNBNGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124898
c1(sc2c(CCC2)n1)NC(=O)C(C)Oc1ccc(cc1Br)Cl	MCULE-7885133296,EMOLS-id_334662102	401.706	WABZECJCLSCROZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124899
Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1nc2c(s1)CCC2	PC-id_25471158,CoCoCo_4164227,MCULE-6212143662,EMOLS-id_18819711,ZINC22_12737150	401.706	YCXGORFYQMWYPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124900
O=C(NCCc1nnc2n1CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	EMOLS-id_48318546,PC-id_75443445,ZINC22_95461155,MCULE-3164778153	401.771	YGLCIMUZWREZJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124901
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)C1C(=Nc2n1ccn2)Cl	PC-id_140059661	401.786	HGZVZVZFIVPSIL-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-124902
Clc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1OC(F)F	PC-id_16505632	401.812	KKDSQPXNIBWGNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124903
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)C=Cc1ccc(cc1)F	MCULE-6646863916	401.817	DWNDMVKQNSQXBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124904
CCOC(=O)C(Oc1cc(N=c2snc3n2CC(O3)C)c(cc1Cl)F)C	SCHEMBL10549433	401.84	CNPBCZWDVBWZEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124905
Clc1c(OC(C)C(=O)OCC)cc(/N=c/2snc3OC(Cn23)C)c(F)c1	PC-id_13730442	401.84	CNPBCZWDVBWZEA-MNDPQUGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124906
Cc1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)ccc1F	EMOLS-id_324883979	401.842	ZMQRBZROMNJKSN-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124907
Cc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)ccc1F	EMOLS-id_324846320	401.842	ZKTNUUBAEJMGMO-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124908
Cc1ccc(OCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324866566	401.842	WFKCJFFKQIEKFL-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124909
Fc1cccc(Cl)c1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324848381	401.842	DIRXXLAMJLWIPL-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124910
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1ccc(cc1)C	MCULE-8822494402	401.842	WFKCJFFKQIEKFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124911
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)CCOc1ccccc1	MCULE-4812888193	401.842	DIRXXLAMJLWIPL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124912
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1ccccc1Cl	MCULE-5134466351	401.842	ZMQRBZROMNJKSN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124913
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1ccc(Cl)cc1	MCULE-5430780512	401.842	ZKTNUUBAEJMGMO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124914
Clc1c([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1	CoCoCo_3532676,PC-id_25492288,MCULE-6347733430,EMOLS-id_16785144	401.845	XOFKAXWQFQUJAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124915
c1(NC(=O)c2cccc(Cl)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336431,MCULE-9262442158	401.867	GLFPEEHRKCZVBS-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-124916
c1(NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4227118732,EMOLS-id_334341796	401.867	OLGOWKXQQAGGMH-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-124917
c1(NC(=O)c2ccc(nc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8289691609,EMOLS-id_334338991	401.867	GFPXCKMFLYFIJY-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-124918
c1(NC(=O)c2ccnc(Cl)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338735,MCULE-5432552737	401.867	ZNYJINYCSFUTEZ-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-124919
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCC2)c1C(=O)N	TIMTEC390683,CoCoCo_1070795,PC-id_17173133,MCULE-1860926428,EMOLS-id_13330716,ZINC22_13327479	401.867	PVOMQEOXEROOQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124920
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2occc2)cc1	PC-id_16947383	401.867	VBAHWCDZPDMIQX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-124921
c1(NC(=O)Cn2c(=O)ccc(c3ccc(cc3)Cl)n2)n(C)nc2CSCc12	STOCK7S-11449,PC-id_52897418,EMOLS-id_35782397,MCULE-3122332230,ZINC22_61717439	401.87	BDUJICSZJKUZCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124922
c1(NC(=O)Cn2c(=O)ccc(c3ccccc3Cl)n2)n(C)nc2CSCc12	ZINC22_71284039,PC-id_56761060,MCULE-6153583366,EMOLS-id_36511043,STOCK7S-20637	401.87	KYSVERAZVRNHDR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124923
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1nc(cs1)c1ccc(cc1)Cl	SCHEMBL2696293,PC-id_87424170	401.87	FGSIWEXMLCEYQG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124924
COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)sc2c1CCC2	ZINC22_408629529	401.885	CTZLNXVGIHTEJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124925
O=C(NCCc1nnc2n1CCC2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	EMOLS-id_35722342,ZINC22_65575316,PC-id_53516199,MCULE-1848245529	401.89	AFAIJRFFOMCSNG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124926
CN=C(N1CCN(C(=O)C1)Cc1ccc(cc1)Cl)NCc1nnc2n1CCC2	PC-id_109500733	401.893	NKBDZIHAAPCBSO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-124927
CCC(=S)C(Oc1cc(/N=c/2snc3n2CC(O3)C)c(cc1Cl)F)C	PC-id_53875984,SCHEMBL10545398	401.906	HGLKRUGOWKCOPQ-MNDPQUGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124928
Cc1nn(c2ccc(C(=O)NCCc3cn4c(n3)SCC4)cc2)c(C)c1Cl	MCULE-7049426766,ZINC22_170596849,EMOLS-id_49946652,PC-id_86815671	401.913	KUBNGLOEZKSBIZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124929
Clc1cc(N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_40606151	401.933	RYFXMHURSNVRPO-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-124930
Clc1c(N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)cccc1	PC-id_8115397	401.933	PPGWNPFIPDBIIB-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-124931
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1cc(Cl)ccc1C	PC-id_111264163	401.936	JPDOXPXZFNFDEQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-124932
Clc1ccc(CC[NH+]2CCC(CC2)CN(C(=O)c2n[nH]c3c2CCC3)C)cc1	PC-id_42098621	401.953	ALRHNEWFXDGHNG-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-124933
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2Br	PC-id_150414832	402.025	HGOFZOWUSKPVOW-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-124934
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC(=C2)Br	PC-id_153305158	402.025	AOVVHKAJLCYTLZ-VIFPVBQESA-N	00000010100000000000000010000000000000000000000000000000	25-01-124935
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)Br	PC-id_149926413	402.025	CMHPJVMPDAUVAL-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-124936
C1C2=CN(N=C2CN1C(=O)C3(COC3)C4=C(C=CC=N4)Cl)SC5=CC=NN5	PC-id_164872093	402.067	MVDDGCWOXZYAFL-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-124937
CCNC(=O)C(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155177291	402.089	JQQISOSTLHTZMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124938
C=CCC1(C(c2c(sc(c2S1)Br)Br)F)C(=O)O	SCHEMBL15195014,PC-id_89756058	402.098	JYZLIEDLPSAOFZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-124939
CC1CCc2c1c(Br)nn2Cc1c(F)ccc(C)c1Br	MCULE-1373093134,EMOLS-id_330969086	402.099	BTXKKPPMLLIUMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124940
CC1CCc2c1c(CBr)nn2Cc1cc(Br)ccc1F	MCULE-4534445557,EMOLS-id_331034370	402.099	YPARNMXPJHSJDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124941
CC1CCc2c1c(CBr)nn2Cc1ccc(Br)cc1F	EMOLS-id_331032834,MCULE-8232121097	402.099	UKZJNUZQBSCWNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124942
CC1CCc2c1c(CBr)nn2Cc1ccc(Br)c(F)c1	MCULE-8143351783,EMOLS-id_331033090	402.099	QPKYFQUMHXQHFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124943
CC1CCc2c1c(CBr)nn2Cc1cccc(Br)c1F	MCULE-6447415423,EMOLS-id_331030531	402.099	DHIUAKWDVQKXIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124944
CC1CCc2c1c(CBr)nn2Cc1cccc(F)c1Br	EMOLS-id_331032579,MCULE-8737364706	402.099	XWCBSGFZUIRFHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124945
CC1CCc2c1c(CBr)nn2Cc1ccc(F)c(Br)c1	MCULE-8876948453,EMOLS-id_331034114	402.099	ZOAQAJORTSJRCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124946
CC1CCc2c1c(CBr)nn2Cc1ccc(F)cc1Br	MCULE-4895806618,EMOLS-id_331032067	402.099	PJZINQRTSAKDMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124947
CC1CCc2c1c(CBr)nn2Cc1cc(F)cc(Br)c1	EMOLS-id_331030787,MCULE-2031899465	402.099	MMTFDKCPTBVLFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124948
CC1CCc2c1c(CBr)nn2Cc1c(F)cccc1Br	MCULE-4434782004,EMOLS-id_331032323	402.099	PEKRPUOATKIIKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124949
CC1CCc2nn(Cc3cc(Br)ccc3F)c(CBr)c12	EMOLS-id_331013308,MCULE-7873078615	402.099	FPTOELOKLDJJNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124950
CC1CCc2nn(Cc3ccc(Br)cc3F)c(CBr)c12	MCULE-7909387599,EMOLS-id_331011772	402.099	NXYANRGWLWEFOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124951
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(CBr)c12	MCULE-3279253100,EMOLS-id_331012028	402.099	GXMDMDMPFNXHKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124952
CC1CCc2nn(Cc3cccc(Br)c3F)c(CBr)c12	EMOLS-id_331013564,MCULE-4506598028	402.099	UYXWWIAFQYVBRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124953
CC1CCc2nn(Cc3cccc(F)c3Br)c(CBr)c12	EMOLS-id_331011517,MCULE-6352835149	402.099	QKVDYWQWRWIPSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124954
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(CBr)c12	MCULE-6524688394,EMOLS-id_331013052	402.099	YJXVCBUDKVSUKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124955
CC1CCc2nn(Cc3ccc(F)cc3Br)c(CBr)c12	MCULE-8044082837,EMOLS-id_331011005	402.099	ZIFJBDKVXLJMNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124956
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(CBr)c12	MCULE-8677047785,EMOLS-id_331013820	402.099	FACXHZPKEKWZHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124957
CC1CCc2nn(Cc3c(F)cccc3Br)c(CBr)c12	EMOLS-id_331011261,MCULE-3443994383	402.099	WWZSEBPMZBDZCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124958
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(Br)c12	EMOLS-id_331016619,MCULE-7324791835	402.099	IHCRLQCOMYGNBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124959
Brc1cc(Br)cc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_107980382	402.104	KEAQMLKNYVKZJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124960
Brc1ccc(c(c1)Br)C(=O)Nc1sc2c(n1)CCC2	PC-id_113345156	402.104	LXRYTSFQZPVZKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124961
Brc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Br	PC-id_114372039	402.104	LYLMHUCPADFPSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124962
CC(C)(C)NC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CN(C=N3)CC(F)F	PC-id_164931979	402.129	AGGJEOHVEXIYDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-124963
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=C(C=CC=N3)C	PC-id_164872111	402.136	CRVONMZSHCMLFP-HSUWOCHWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-124964
C/C=C(C=N)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)C(C3=CC=CC=C3C)OC	PC-id_164872039	402.136	OOUNUMAMYYDGSZ-JKLXNHCBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124965
Brc1c(C(O)c2sc3c(CCC3)c2)cc(Br)c(c1)C	PC-id_81472958	402.144	SOXYRLHHKXKJSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124966
BrC(c1sc2c(CCC2)c1)c1c(Br)cc(OC)cc1	PC-id_55199179	402.144	HMRKKQUNYCEEKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124967
BrC(c1sc2c(CCC2)c1)c1cc(Br)c(OC)cc1	PC-id_63435032	402.144	OBHDOVHSXSCFEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124968
BrC(c1sc2c(CCC2)c1)c1c(OC)ccc(Br)c1	PC-id_55199308	402.144	QOAFDUJHNVNTAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-124969
C1C2=C(CN1C(=O)C3=C(C=C(C=C3O)O)NC4=CC=NN4C5=CC=CC=C5)NN=C2	PC-id_155268749,CHEMBL4456177	402.144	RVNNSVONTQFPDT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124970
Brc1cnc(c(c1)Br)CNCc1sc2c(c1)CCC2	PC-id_104271310	402.147	ZTABAQLCYWAHDK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-124971
CNC(c1ccc(c(c1)Br)Br)c1sc2c(n1)CCC2	PC-id_108400392	402.147	HKHPVMYHHNTEKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124972
Ic1cn(C[C@@H]2C[C@@H](c3c2n(nc3)C)CO)c(=O)[nH]c1=O	PC-id_15946739	402.188	BEAGBWRWVWZPDM-JGVFFNPUSA-N	00000010100000100001000010000000000000000000000000000000	25-01-124973
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(c(Br)c2)C(F)(F)F)n1	EMOLS-id_331035659,MCULE-4580569350	402.209	NCBHGLXAKKLMLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124974
c1(C(=O)N)c2C(C)CCc2n(Cc2ccc(cc2Br)C(F)(F)F)n1	MCULE-6816336706,EMOLS-id_331037194	402.209	WTUIAKZBGQURLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124975
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)C(F)(F)F	MCULE-5206129780,EMOLS-id_331021748	402.209	PQLNQKBWSPMHCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124976
c1(C(=O)N)c2C(C)CCc2nn1Cc1ccc(cc1Br)C(F)(F)F	MCULE-9745712921,EMOLS-id_331019188	402.209	DDEMOXRHQQGTHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124977
CC(c1ccc(C)c(F)c1F)n1nc2CCC(C)c2c1I	MCULE-3891037729,EMOLS-id_330964667	402.221	OFHSNQURNJYLTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124978
Clc1c(=O)n(ncc1Cl)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_16531563	402.252	AKKQBBNBRQTFCY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-124979
C1C(=CI)[n+]2c(S1)sc(n2)NC(=O)c1ccccc1	PC-id_134158872	402.254	JTIKNXUJELZOQB-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-124980
Brc1ccc(o1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	CoCoCo_2666473,PC-id_3617401	402.264	AVQUUUHXGOVMIQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-124981
CN(C)C=c1sc2c(cc(C(=O)c3ccc(Br)cc3)n2c1=O)C#N	BindingDB-id_166562,BindingDB_PC-id_2998589	402.265	MBWLITUCRBZMCR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124982
O=C(NCc1nnc2n1CCC2)Nc1cccc(c2ccc(Cl)c(Cl)c2)c1	PC-id_71889557,ZINC22_56676963,MCULE-4614689923,EMOLS-id_43642697	402.277	GETVJHNEQWTMEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-124983
Clc1ccc(c(c1)Cl)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_4190686,CoCoCo_2666490	402.295	YJBFLDYIRHUBDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124984
Clc1ccc(c(c1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)Cl	MCULE-1691615037,PC-id_4335646,EMOLS-id_16383076,CoCoCo_2666492	402.295	CIUMCWKOJAWPEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124985
Clc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1Cl	EMOLS-id_324838138	402.297	VAPDMAMHINCCEO-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124986
Clc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c(Cl)c1	EMOLS-id_324839673	402.297	KAJAQUIAKZKMOH-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124987
Clc1cccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)c1Cl	EMOLS-id_324841210	402.297	AYPKTSDWTFGFSG-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124988
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCc1ccccc1	MCULE-3868731199	402.297	AYPKTSDWTFGFSG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124989
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)CCc1ccccc1	MCULE-4643178646	402.297	KAJAQUIAKZKMOH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124990
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)CCc1ccccc1	MCULE-6651553289	402.297	VAPDMAMHINCCEO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-124991
Brc1cnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)s1	MCULE-8128963901,EMOLS-id_328224125	402.308	ULNXVOGLZFMYAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124992
Brc1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109775	402.328	ISKFNPVKJAHVSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124993
Brc1cccc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109776	402.328	YPXTZZRTHHFXCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124994
Brc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109777	402.328	ZZFSJNNPSQHWLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-124995
ClC(=CC1C(C1C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)(C)C)Cl	PC-id_4579453	402.335	KEDNMVBVJDGFFR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-124996
ClC(=C[C@H]1C([C@H]1C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)(C)C)Cl	PC-id_7034552	402.335	KEDNMVBVJDGFFR-QMTHXVAHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-124997
ClC(=C[C@H]1C([C@@H]1C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)(C)C)Cl	PC-id_7034553	402.335	KEDNMVBVJDGFFR-YGRLFVJLSA-N	00100010100000000000000010000000000000000000000000000000	25-01-124998
ClC(=C[C@@H]1C([C@H]1C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)(C)C)Cl	PC-id_7034554	402.335	KEDNMVBVJDGFFR-IINYFYTJSA-N	00100010100000000000000010000000000000000000000000000000	25-01-124999
ClC(=C[C@@H]1C([C@@H]1C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)(C)C)Cl	PC-id_7034555	402.335	KEDNMVBVJDGFFR-HZMBPMFUSA-N	00100010100000000000000010000000000000000000000000000000	25-01-125000
FC(F)(F)c1cc(n[nH]1)c1ccc(o1)S(=O)(=O)NCc1nnc2CCCn12	ZINC22_1506402984,EMOLS-id_316265247,MCULE-5255891672	402.352	QQDBSZNDLLRJNJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-125001
c1(C(=O)NCc2ccc(cc2)C(F)(F)F)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316324665,MCULE-9426776211	402.37	BMXJNRZBBUVDLF-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125002
FC(F)(F)c1cc(Oc2cc(C(=O)NCc3n4CCCc4nn3)ccc2)ccc1	PC-id_52375809	402.37	VHHZITJVQRLBNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125003
O=C(c1nn2c(c1)CC(C2)Oc1cccnc1)NCc1ccc(cc1)C(F)(F)F	MCULE-1827470754	402.37	BMXJNRZBBUVDLF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125004
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)[O-])cc1)C	PC-id_69481189,SCHEMBL5541538	402.381	SWHROOQYAWIMJO-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-125005
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)[O-])cc1)C	PC-id_69481192,SCHEMBL5541546	402.381	SWHROOQYAWIMJO-GOSISDBHSA-M	00000010100010110001100010000000000000000000000000000000	25-01-125006
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2CCN(CC2)C(=O)[O-])ccc1)C	PC-id_69479316,SCHEMBL5535412	402.381	MKUAPULODWICJH-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-125007
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2CCN(CC2)C(=O)[O-])ccc1)C	SCHEMBL5535416,PC-id_69479318	402.381	MKUAPULODWICJH-GOSISDBHSA-M	00000010100010110001100010000000000000000000000000000000	25-01-125008
Fc1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cccc1C(F)(F)F	MCULE-1485980186,EMOLS-id_328219517	402.385	CIAQMVQNAADJEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125009
Brc1sc(CSCCNC(=O)c2sc3CCCc3c2)cc1	PC-id_9475323	402.393	YNKMCWZJIDWZBR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-125010
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2CCN(CC2)C(=O)O)cc1)C	PC-id_69479979,SCHEMBL5537958	402.401	NTEQVPFLAZPRQR-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125011
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2CCN(CC2)C(=O)O)cc1)C	SCHEMBL5537963,PC-id_69479981	402.401	NTEQVPFLAZPRQR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125012
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)C(=O)O)cc1)C	PC-id_69479885,SCHEMBL5537665	402.401	YCAXIATZIZLJET-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125013
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)C(=O)O)cc1)C	SCHEMBL5537662,PC-id_69479884	402.401	YCAXIATZIZLJET-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125014
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2cccnc2)C1)NC(=O)c1ccccc1	PC-id_68440477,SCHEMBL2917974	402.406	WQUNQDKXLYVEAQ-CMDGGOBGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125015
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2cccnc2)C1)NC(=O)c1ccccc1	PC-id_68440478	402.406	WQUNQDKXLYVEAQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125016
O=C(N1Cc2c([nH]nc2NC(=O)/C=C/c2ccncc2)C1)NC(=O)c1ccccc1	PC-id_68440976,SCHEMBL2919531	402.406	OBTLFDYUHJRYOM-VOTSOKGWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125017
O=C(N1Cc2c([nH]nc2NC(=O)C=Cc2ccncc2)C1)NC(=O)c1ccccc1	SCHEMBL2919541,PC-id_68440979	402.406	OBTLFDYUHJRYOM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125018
c1(NC(=O)c2ccc(cc2F)F)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334342820,MCULE-1116812505	402.414	ZMAYTYZAMXQJCW-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-125019
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2833666795,EMOLS-id_334336941	402.414	IRYNQILNDAZOLI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-125020
s1c2c(CCC2)c(c1NC(=O)CSc1nc(ccn1)C(F)(F)F)C(=O)N	PC-id_18158501	402.415	JJBCBBDZCCZSME-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-125021
CCC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)F	PC-id_141417098	402.419	AFJDXSSIDNERBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125022
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)CC)c1ccc(cc1)F	PC-id_141257327	402.419	QXCVOAZAQPIZKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125023
CCOC(=O)c1c(NC(=O)C(=O)Cc2ccccc2[N+](=O)[O-])sc2CCCc12	MCULE-4402207491,EMOLS-id_328052259	402.421	ROVSTYORUJAASG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125024
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C(=O)OC)C(=O)NC(=O)OC	PC-id_7521456	402.421	MBQBDQSJZAEKNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125025
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C(=O)OC)C(=O)N	PC-id_45639373	402.421	TVAASEQWDALDGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125026
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cccc1)C(=O)OC)C(=O)N	PC-id_56506017	402.421	DOKQFHKUDNMAEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125027
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(cc1)C=O)C(=O)N	PC-id_3322710	402.421	NBICOSYRNDUHRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125028
c1(NC(=O)NN=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-8771931359,PC-id_19168822	402.424	IFZLWWNQSGZVMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125029
c1(NC(=O)NN=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	PC-id_19168821,MCULE-7467833520	402.424	OKIZZFVPIWCOQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125030
O=C(NNC(=O)c1cc2c(s1)CCC2)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])C	MCULE-6357624495,CoCoCo_4383631,EMOLS-id_24957475,PC-id_41584628	402.424	YTUIORIGHAXEQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125031
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/c1c(F)cccc1)C)C(=O)N	PC-id_8973970	402.439	SAXBPLPNCIDKEF-USKTWTLRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125032
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/c1c(F)cccc1)C)C(=O)N	PC-id_8973982	402.439	SAXBPLPNCIDKEF-PBQZMEPESA-N	00000010100000110000000010000000000000000000000000000000	25-01-125033
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1c(F)cccc1)C)C(=O)N	PC-id_84887207	402.439	SAXBPLPNCIDKEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125034
s1c2CCCc2c(c1NC(=O)COC(=O)C(Oc1ccc(F)cc1)(C)C)C#N	PC-id_8393023	402.439	WTEOCUIBMOFKHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125035
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1C(O)O[C@H](CO)C(O)[C@@H]1O	EMOLS-id_328212351,MCULE-3324199011	402.441	GPTVRYYPUQAEKX-SGPNKGFISA-N	00000010100010110000000010000000000000000000000000000000	25-01-125036
CCOC(=O)c1ccccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-2011325094,PC-id_46861297,EMOLS-id_31548292	402.442	FKTHJNKRRQEDEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125037
CCOC(=O)c1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340445,ZINC22_51364494	402.442	FKTHJNKRRQEDEX-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125038
CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364493,PC-id_52340444	402.442	FKTHJNKRRQEDEX-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125039
CCOC(=O)c1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	MCULE-3065208091,PC-id_46861299,EMOLS-id_31548296	402.442	UPQLENJTFRRMNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125040
CCOC(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364497,PC-id_52340448	402.442	UPQLENJTFRRMNL-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125041
CCOC(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364498,PC-id_52340449	402.442	UPQLENJTFRRMNL-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-125042
N#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)coc2)CC(=O)O	SCHEMBL16861196,PC-id_118195964	402.442	YOAUTTJLZWHIHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125043
c1(C(=O)NCCOC)cc2n(C[C@@H](NC(=O)Cc3cc(OC)ccc3OC)C2)n1	EMOLS-id_316332861,MCULE-1724523612	402.444	ZPRYTNLWVFEOKJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125044
c1(C(=O)NCCOC)cc2n(CC(NC(=O)Cc3cc(OC)ccc3OC)C2)n1	MCULE-5506429192	402.444	ZPRYTNLWVFEOKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125045
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)Cc3cc(OC)ccc3OC)Cc12	EMOLS-id_316322611,MCULE-5996086938	402.444	AEMUCIQCCZKRFK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125046
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)Cc1cc(OC)ccc1OC	MCULE-1429874166	402.444	AEMUCIQCCZKRFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125047
O=C(n1nc(NC(=O)c2ccccc2)c2c1CN(C2)C(=O)c1ccccc1)C(C)C	PC-id_71458699	402.446	JCQSMSMVCIKTKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125048
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1noc(c1)c1ccccc1	PC-id_92109442	402.446	LICXNHKMVHXHAN-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-125049
CN1C(=CC(=NS1(=O)=O)c1ccco1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1019441136,CoCoCo_2302673,PC-id_22515322,EMOLS-id_16141707	402.447	MZLVPOVUJLIOKO-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-125050
O(Cc1c(NC(=O)NCc2n3CCCc3nn2)cccc1)c1ccc(cc1)CC#N	PC-id_60491160	402.449	OWQGFTVPSDPNLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125051
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1cnn(n1)c1ccccc1	PC-id_92109265	402.449	VPONAYUUUOBGHR-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-125052
Cn1cnnc1Sc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-]	EMOLS-id_15251640,CoCoCo_4164122,PC-id_17550761,ZINC22_8776785,MCULE-8836771166	402.451	SBGHQNCAHOWQST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125053
O=C(N(C)C)C1=C(c2n(nc(n2)C)C1=Nc1ccc(N(CCC#N)CC)cc1)C#N	PC-id_59091118	402.452	CODFIKAAWXNQTE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-125054
CCC/C=C(/[C@H]1C[C@](c2n1cnc2)(O)CC(=O)N1CCOCC1)C(=C/CC#N)F	PC-id_144193663	402.462	IGSLNJFWEAYAFB-UVWXYUBESA-N	00000010100010000001000010000000000000000000000000000000	25-01-125055
s1c2CCCc2cc1C(=O)OCC(=O)Nc1scc(n1)c1ccc(F)cc1	PC-id_3671718	402.462	DILQLNZQVDVNNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125056
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccccc1OC	MCULE-4168242770,EMOLS-id_4081069,TIMTEC284324,ZINC22_17082400,PC-id_17377354,CoCoCo_6832308	402.464	LGTSQQQWKRVXFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125057
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1cccc(OC)c1	CoCoCo_6832458,PC-id_17377328,TIMTEC461888,ZINC22_17082416,EMOLS-id_4081093,MCULE-3466172728	402.464	SWZYPKQMCMEPQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125058
s1c2c(CCC2)c(c1NC(=O)CCOc1ccccc1)C(=O)NC(=O)OCC	PC-id_7521533	402.464	CPHJZLHEOLLUTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125078
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccc(cc1)OCC	PC-id_1322299,EMOLS-id_2177317,TIMTEC89659,MCULE-8099330667,CoCoCo_6710944,ZINC22_4195857	402.464	BXPKZWSAHGGGLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125059
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)N	PC-id_73551572,MCULE-8940471932	402.464	CPMYSMMDWUOEMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125060
c1(NC(=O)COCC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccc(cc1)C	EMOLS-id_4081075,TIMTEC373155,PC-id_17376989,ZINC22_17082407,MCULE-9102829525,CoCoCo_6826041	402.464	PCANOLAPIIBMFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125061
c1(NC(=O)C(=O)NCc2ccc(cc2)OC(C)C)sc2c(CCC2)c1C(=O)O	MCULE-3437116362,PC-id_8071874,EMOLS-id_4748773,ZINC22_6759671,STOCK6S-16043	402.464	MEELQIZWZCTXSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125062
Cc1ccc(C)c(OCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_2990564,MCULE-1192163415,ZINC22_4979186,PC-id_4784756,EMOLS-id_3404196	402.464	PJGDENGQMBJGJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125063
Cc1cccc(OCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1C	PC-id_4784652,MCULE-1585489272,ZINC22_5017684,EMOLS-id_3404172,CoCoCo_3120551	402.464	UZEBJNADNJSFEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125064
Cc1cccc(O[C@@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_3636399,ZINC22_6542274,PC-id_7993765	402.464	PBEZRYCIXBAUDF-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125065
Cc1cccc(O[C@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_7993768,CoCoCo_3636398,ZINC22_6542279	402.464	PBEZRYCIXBAUDF-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125066
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)OC1CCCC1	PC-id_89237448,SCHEMBL14056059	402.464	FABYOIYKDPTZAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125067
COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-7305369795,EMOLS-id_31833189,ZINC22_9070619,PC-id_45637987	402.464	VDYYSRWWDBXMCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125068
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)C(Oc1cccc(c1)C)C	EMOLS-id_3405306,MCULE-4925488235,PC-id_4787018	402.464	PBEZRYCIXBAUDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125069
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(=O)Nc1cc(OC)ccc1)C	PC-id_46606737	402.464	VESLOOBWUNDYRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125070
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCC)cc1)C(=O)NC(=O)OCC	PC-id_7521550	402.464	JRLGVCZBXLPXKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125071
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC(C)C)cc1)C(=O)NC(=O)OC	PC-id_7521481	402.464	LPDPGAIXHFXLTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125072
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(C(=O)N1CCCC1)C	PC-id_42982468	402.464	MRBWFYGFQUPKHN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-125073
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)NC1CCCC1	PC-id_41733951	402.464	BMJLWLIRDHUUNR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-125074
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_8719165	402.464	QSIZMNKOMARXPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125075
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(OCC)cc1)C(=O)NC(=O)OC	PC-id_8720048	402.464	HJVUYYXLYYPGQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125076
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_19173981	402.464	CPMYSMMDWUOEMB-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125077
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(ccc1)COC)C)C(=O)N	PC-id_8998670	402.464	DESHODYIZWJHGD-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125079
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(ccc1)COC)C)C(=O)N	PC-id_8998671	402.464	DESHODYIZWJHGD-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125080
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(OC)c(cc1)C)C)C(=O)N	PC-id_8283104	402.464	DFDNWECDHHQNDR-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125081
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(OC)c(cc1)C)C)C(=O)N	PC-id_8283108	402.464	DFDNWECDHHQNDR-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125082
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(OC)ccc(c1)C)C)C(=O)N	PC-id_9000262	402.464	SRNLZGCWDNJOHP-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125083
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(OC)ccc(c1)C)C)C(=O)N	PC-id_9000265	402.464	SRNLZGCWDNJOHP-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125084
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1c(OC)cccc1)C)C(=O)N	PC-id_8886373	402.464	UDUVUHIDQGOXHX-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125085
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1c(OC)cccc1)C)C(=O)N	PC-id_8886382	402.464	UDUVUHIDQGOXHX-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125086
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCOc1ccccc1)C)C(=O)N	PC-id_8252566	402.464	IKTNLWNCGVICBC-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125087
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCOc1ccccc1)C)C(=O)N	PC-id_8252567	402.464	IKTNLWNCGVICBC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125088
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C(=O)OCC)C(=O)OC	PC-id_24614977	402.464	CMSJNEUXENBGHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125089
s1c2c(CCC2)c(c1NC(=O)CNc1c(cc(cc1)C(=O)OC)C)C(=O)OC	PC-id_24662281	402.464	UZVFQRUDRUEWHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125090
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_9083142	402.464	UKYKITWQBKJLJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125091
s1c2c(CCC2)c(c1NC(=O)COc1ccc(NC(=O)C)cc1)C(=O)OCC	PC-id_7203358	402.464	HPXNKIBTZWXWAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125092
s1c2c(CCC2)c(c1NC(=O)COc1cc(NC(=O)C)ccc1)C(=O)OCC	PC-id_7698037	402.464	LLILULQYZCLKPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125093
s1c2c(CCC2)c(c1NC(=O)COc1c(NC(=O)C)cccc1)C(=O)OCC	PC-id_7867196	402.464	FHLLOSPRGGVYHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125094
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(ccc1)COC)C)C(=O)N	PC-id_84896844	402.464	DESHODYIZWJHGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125095
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N(C)C)cc1)C(=O)OC	PC-id_45685521	402.464	MSWMWNSOVVKZHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125096
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OC(C)C)cc1)C(=O)N	PC-id_7193333	402.464	UHARTTAXDZAWKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125097
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCCC)cc1)C(=O)N	PC-id_7211645	402.464	OEDXLOIXXDLQIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125098
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(N(C)C)ccc1)C(=O)OC	PC-id_16523621	402.464	LVDAJMGBRICEDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125099
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(OC)c(cc1)C)C)C(=O)N	PC-id_78653238	402.464	DFDNWECDHHQNDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125100
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N)c(ccc1)C)C(=O)OCC	PC-id_8403287	402.464	CBBXYGAYLKMVEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125101
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC)cccc1)C(=O)OCC	PC-id_7670371	402.464	JHQGOYVYXQBEQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125102
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(OC)ccc(c1)C)C)C(=O)N	PC-id_84897451	402.464	SRNLZGCWDNJOHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125103
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(OC)c(cc1)C)C(=O)N	PC-id_33500775	402.464	OOFIFFBJBXOZBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125104
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(OC)ccc(c1)C)C(=O)N	PC-id_8279430	402.464	LHKAORVCNCDDDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125105
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1c(OC)cccc1)C)C(=O)N	PC-id_84864477	402.464	UDUVUHIDQGOXHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125106
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1ccc(OC)cc1)C(=O)N	PC-id_3909495	402.464	MWOWWPYSJIRKQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125107
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1c(OC)cccc1)C(=O)N	PC-id_7871029	402.464	LNGDXHMBSBMVSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125108
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCOc1ccccc1)C(=O)N	PC-id_4367838	402.464	PWJHVNYXCCTLIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125109
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCOc1ccccc1)C)C(=O)N	PC-id_24496475	402.464	IKTNLWNCGVICBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125110
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1cc(ccc1)C)C(=O)N	PC-id_7840209	402.464	LOZMCTCXHWTDJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125111
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1c(cccc1)C)C(=O)N	PC-id_7841755	402.464	BPVGLECDNZIVCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125112
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1ccc(cc1)C)C(=O)N	PC-id_9139498	402.464	KDGQXIXVKBACBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125113
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](Oc1ccccc1)CC)C(=O)N	PC-id_7229846	402.464	XQOCFRBTNDEQKS-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125114
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](Oc1ccccc1)CC)C(=O)N	PC-id_7229847	402.464	XQOCFRBTNDEQKS-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125115
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(cc(cc1)C)C)C(=O)N	PC-id_7814345	402.464	RFZTVWKPYMUAAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125116
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(Oc1ccccc1)CC)C(=O)N	PC-id_78463321	402.464	XQOCFRBTNDEQKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125117
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(cc(c1)C)C)C(=O)N	PC-id_7853708	402.464	OOZPQPYZMDHIBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125118
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(c(cc1)C)C)C(=O)N	PC-id_8922608	402.464	QLYRXRWNVOJDLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125119
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(CC)cc1)C(=O)N	PC-id_7844763	402.464	KGKVEMDWVUJSMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125120
s1c2c(CCC2)c(c1NC(=O)CON=Cc1c(OC)cccc1)C(=O)OCC	PC-id_7664288	402.464	YNFYIJRRYYDJFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125121
O=C(Nc1sc2CCCc2c1C(=O)c1ccc(cc1)C#N)OCc1ccccc1	EMOLS-id_331271264	402.466	MBFKMZVOKWHXHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125122
s1c2CCCc2cc1C(=O)NNC(=O)c1n(c2ccc(F)cc2)c(=S)[nH]c1	PC-id_24540849	402.466	OEUSLGINTIGOTI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125123
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(c2ccccc2)cc1)C#N	PC-id_1662551	402.466	MRPHQZRHZMVQQI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-125124
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1scc(n1)C	PC-id_16947292	402.466	MUDZNPOGTONADA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125125
c1(NC(=O)C2CC(=O)N(c3ccc(cc3OC)OC)C2)n(C)nc2CSCc12	MCULE-2042776740,PC-id_56763317,EMOLS-id_36516204,STOCK7S-23887	402.467	RQORCAHCJOHQEV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125126
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COC)nn3c2=O)cc1	EMOLS-id_324901378	402.467	RFZUHDPCQONSMW-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125127
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C(n1nc(ccc1=O)C1CC1)C	PC-id_122279039	402.467	YOEOKPXOKIVMDO-UHFFFAOYSA-N	00100010100000100001100010000000000000000000000000000000	25-01-125128
CC(=O)Nc1nc(C(=O)NC2CC(CNC(=O)c3occ4c3CCC4)C2)cs1	ZINC22_1875339305	402.467	ZQXKSXDXABLXIH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-125129
COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)c(OC)c1	PC-id_95392198,ZINC22_71288806	402.467	RQORCAHCJOHQEV-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-125130
COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)c(OC)c1	ZINC22_71288804,PC-id_95392197	402.467	RQORCAHCJOHQEV-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125131
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COC	MCULE-4170628933	402.467	RFZUHDPCQONSMW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125132
NC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCC2	MCULE-8149639740,EMOLS-id_3405212,CoCoCo_3568514,PC-id_4845534,ZINC22_34863155	402.467	NOBQRNKPWXNWKD-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-125133
s1c2c(CCC2)c(c1NC(=O)C1ON=C(C1)c1c(nn(c1)CC)C)C(=O)OC	PC-id_19495833	402.467	XLJDSBAVNTYMIZ-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-125134
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c([N+](=O)[O-])cccc1)C)C)C(=O)N	PC-id_46405849	402.467	YXDCFJPPCZIGEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125135
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(n(nc1C)C)C)C(=O)N	PC-id_7792598	402.467	PSUCUOCRCIQFTG-BQYQJAHWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125136
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(n(nc1C)C)C)C(=O)N	PC-id_78543483	402.467	PSUCUOCRCIQFTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125137
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(=O)OC)CC(=O)NCCC)C1	PC-id_44052940	402.467	WCTLASYTIJEJGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125138
S1Cc2c(nn(c2NC(=O)C(=O)OCC)CC(=O)NCCc2ccccc2)C1	PC-id_44053894	402.467	SWSAJGGDJRYDQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125139
CCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1)C)F	SCHEMBL19195030	402.469	AZDZWVOLCIUMFW-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-125140
C[C@H]1NC[C@@H](N(C1)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F)C	PC-id_68164453,SCHEMBL11913288	402.469	WYGPMMNCTUJRGG-MNOVXSKESA-N	00000010100010100001000010000000000000000000000000000000	25-01-125141
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=S)Nc1ccccc1	PC-id_87852284,SCHEMBL5542333	402.471	ULONKBORIUTCHR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125142
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332068,MCULE-2223241902	402.482	FNRYYMBHOQFOLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125143
c1(NC(=O)Cc2ccccc2F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9668129320,EMOLS-id_334334382	402.482	TTYSRGGWUPSLHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125144
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1931166623	402.482	JGCCHWGXJOZYQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125145
c1(NC(=O)C=Cc2cccc(F)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5308869982	402.482	XDGZTCONZGHXKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125146
COCCCNC(=O)c1c(NC(=O)/C=C/c2cccc(F)c2)sc2CCCc12	EMOLS-id_334391315	402.482	XDGZTCONZGHXKY-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125147
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2CCCc12	EMOLS-id_334386198	402.482	JGCCHWGXJOZYQF-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125148
O=C(OCC(=O)N1CCN(Cc2ccccc2F)CC1)c1cc2c(s1)CCC2	EMOLS-id_29686039,PC-id_43047672,MCULE-4230866741,CoCoCo_4425714,ZINC22_36700236	402.482	LWWXFESUADEQJZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125149
Cc1ccc(CC(NC(=O)c2cc3CCCc3n2Cc2ccccc2)C(=O)O)cc1	EMOLS-id_328213619,MCULE-8608358392	402.486	FOCBCIODXCYAQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125150
CCCOC(=O)c1cccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-7174589061,EMOLS-id_328221043	402.486	HVMSLFWSZIZJTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125151
CCCOC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-2951400340,EMOLS-id_328221299	402.486	YWWLXZYVBXOUTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125152
COC(=O)CCN(C(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1	MCULE-6311124547,EMOLS-id_328339099	402.486	KLHFNAFNQVSRRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125153
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328214399,MCULE-6217140290	402.486	SRRKRSXUXYOLEY-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125154
COC(=O)CN(Cc1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6294202128,EMOLS-id_328339101	402.486	DLUWHNCDTDOETD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125155
NC(=O)c1c2c(CCC2)sc1NC(=O)CN1CCN(c2c(F)cccc2)CC1	MCULE-5949476490,PC-id_16233119,CoCoCo_3370875,ZINC22_34878961,EMOLS-id_2886732,CoCoCo_3370874	402.486	LNXRCAQCGZPLRE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125156
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)OCCc1ccc(cc1)N(C)C	PC-id_71522731,SCHEMBL16177953	402.486	VDPWWSBICLWIQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125157
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(F)cc1)C(=O)N	PC-id_8704237	402.486	SFBDNFPWGRZLCB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125158
S1Cc2c(NC(=O)C3CCCC3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053661	402.486	ZYHVPQBRKYLNBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125159
c1(NC(=O)CS(=O)C(c2ccccc2)C(=O)OC)sc2c(CCC2)c1C#N	MCULE-3499862142,EMOLS-id_320646904	402.487	BPOJUBJAXCBFID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125160
c1(NC(=O)CS(=O)CC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_320679532,MCULE-2662007790	402.487	LSYYVRLIHAVNMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125161
c1(NC(=O)CS(=O)CC(=O)OCc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320677738,MCULE-2738296700	402.487	JRDFFAVBZTVISQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125162
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)Cc1ccc(cc1)C(=O)OC	MCULE-9730397930,EMOLS-id_186596813	402.487	JBOFQLAUJCUPJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125163
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)Cc1cc(C(=O)OC)ccc1	EMOLS-id_186607521,MCULE-2454273628	402.487	IASSJHKMFIHCQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125164
Cc1oc(c2ccccc2S(=O)(=O)C)cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_56668806,CHEMBL1821941	402.487	CHBTYOXHHQAVCJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-125165
O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc2c(s1)CCC2	MCULE-2100257966,EMOLS-id_45715487,ZINC22_4949661,PC-id_3533014	402.487	FSUYIAVVCNLFPN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-125166
O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc2c(s1)CCC2	CoCoCo_3926532,MCULE-1523534312,ZINC22_8071153,EMOLS-id_13468763,PC-id_9203648	402.487	DCMUYDVFNWSBNL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-125167
O=C(OC(C)(C)C)NC(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109494	402.487	AEWBIRAPYWWGIJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-125168
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OC)cc(SC)cc1)C#N	PC-id_8014092	402.487	QKIJSMFRUJUPKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125169
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=CSc1ccccc1)C(=O)N	PC-id_78740071	402.487	YMLROPZNYLVQCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125170
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/Sc1ccccc1)C(=O)N	PC-id_8627480	402.487	YMLROPZNYLVQCG-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125171
s1c2CCCc2c(c1NC(=O)COC(=O)CSc1ccc(OC)cc1)C#N	PC-id_8548992	402.487	QFUSDXVCYKCVGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125172
c1(C(=O)N2CCC(CC2)Cc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316328241,MCULE-2573345648	402.489	DVKUUPKIBMRZLU-QFIPXVFZSA-N	00000010100010111001000010000000000000000000000000000000	25-01-125173
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)CCCc3ccccc3)C2)n1	EMOLS-id_316332852,MCULE-3058636246	402.489	PAPPWOSAOVSYBL-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125174
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)CCCc3ccccc3)C2)n1	MCULE-2435592948	402.489	PAPPWOSAOVSYBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125175
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCCc3ccccc3)Cc12	MCULE-3814028815,EMOLS-id_316253175	402.489	IFPQOVMXAUNLOQ-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125176
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCCc3ccccc3)Cc12	MCULE-1503233273	402.489	IFPQOVMXAUNLOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125177
Cc1ccccc1C(c1ccccc1)N1CCN(CC1)C(=O)c1nn2CCOc2c1	PC-id_91959781	402.489	WEKASITXIOXOHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125178
CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1	BindingDB-id_21831,BindingDB_PC-id_10111728,SCHEMBL2917579,CHEMBL192575,PC-id_10111728	402.489	OEXOAONFGZUXSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125179
c1(NC(=O)c2snnc2CC)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_7424187,ZINC22_4941926,MCULE-2140246160,STOCK6S-27584,CoCoCo_2593168,EMOLS-id_2703919	402.491	AHYMUQVEHWRFAN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-125180
c1(NC(=O)Cc2cccs2)c2CSCc2nn1CC(=O)NCc1ccco1	ZINC22_23139315,PC-id_30862588,CoCoCo_5277699,EMOLS-id_24913425,MCULE-5569741547	402.491	SRRJRYJTAKRDOQ-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-125181
O=C(Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C)Cc1cccs1	PC-id_68441360,SCHEMBL2920652	402.491	XIWUMJUYPQJVQK-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125182
O=C(Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C)Cc1cscc1	SCHEMBL2917585,PC-id_68440359	402.491	DSGKXQZBRQJFOF-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125183
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)Cc1cccs1	SCHEMBL2920656,PC-id_68441362	402.491	RKWIEOVEANRXEQ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125184
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)Cc1ccsc1	PC-id_68440360,SCHEMBL2917589	402.491	PSDJAHBNRKCGFC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125185
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)Cc1cscc1	PC-id_68439321,SCHEMBL2914682	402.491	WMQNEXIFZNQGSN-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125186
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)Cc1cccs1	PC-id_141251721	402.491	XNZRDJXJLLRABT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125187
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)Cc1cccs1	PC-id_68441364,SCHEMBL2920665	402.491	SENCMLBQOKJJAT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125188
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)Cc1cscc1	PC-id_141251750	402.491	GNLMNAPHQUXSKZ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125189
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)Cc1cscc1	SCHEMBL2921013,PC-id_68441469	402.491	BWRUBSOIEKHXEY-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125190
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)Cc1cccs1	PC-id_68441361,SCHEMBL2920654	402.491	VWHXQZZXNJPUSC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125191
O=C(NCc1ccccc1)c1cc2C[C@@H](Cn2n1)NS(=O)(=O)c1cccs1	EMOLS-id_316331828,MCULE-8959466976	402.491	SFNHGWKPUBSGHQ-AWEZNQCLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125192
O=C(NCc1ccc[nH+]c1N1CCOCC1)NNC(=O)c1sc2c(c1)CCC2	GD-id_ZINC45968827	402.491	RTLVHVHEEDODEJ-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-125193
O=C(NNC(=O)c1sc2c(c1)CCC2)NCc1cc[nH+]c(c1)N1CCOCC1	GD-id_ZINC45845567	402.491	VYCXRBLWEAAZPC-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-125194
s1c2c(CCC2)c(c1NC(=O)CSc1nc(nc(c1C#N)C)C)C(=O)OC	PC-id_24631045	402.491	QKMYIAGHIACBIP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-125195
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)n1cccc1)C(=O)OCC	PC-id_44088120	402.491	QFEUVHXAJWIFEE-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-125196
S(=O)(=O)(NC1Cc2n(nc(C(=O)NCc3ccccc3)c2)C1)c1cccs1	MCULE-9265447844	402.491	SFNHGWKPUBSGHQ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125197
Fc1ccccc1C1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8012903184,EMOLS-id_328342673	402.504	GIZYZLDERPKKFQ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-125198
c1(c2CCCc2sc1NC(=O)C1CC(=C(CC1C(=O)O)C)C)C(=O)NC1CC1	TIMTEC196139,EMOLS-id_4081293,PC-id_17377056,MCULE-9007158902	402.507	HMUFGBIGWBOOGP-UHFFFAOYSA-N	00100010100011000000000010000000000000000000000000000000	25-01-125199
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)NC1CCCC1	MCULE-2594917127,TIMTEC473184,EMOLS-id_4081297,PC-id_17377086	402.507	UDLVDBPNXKKGGT-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-125200
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385172,MCULE-5925722233	402.507	FHNFEGIGIMINRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125201
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5184497945,EMOLS-id_334389523	402.507	AUHVODFWUSGFQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125202
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334392594,MCULE-4548576925	402.507	HOLVLPYWNKYEGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125203
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331871,MCULE-5469556183	402.507	CFMVAOHBWRPQAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125204
c1(NC(=O)CCOc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390804,MCULE-3130552395	402.507	KLAUUYHHIVJUPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125205
c1(NC(=O)COCc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389778,MCULE-9422071156	402.507	CBPCTPNJGDJNGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125206
c1(NC(=O)COCCOC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7999197135,EMOLS-id_334335650	402.507	HQSZNNPQXOJXAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125207
Cc1c(c2c(n1CC=O)CCC2)Cc1ccccc1S(=O)(=O)N1CCOCC1	SCHEMBL13417371,PC-id_89081619	402.507	ZWWVOUHLUXBGRG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125208
Cc1c(c2c([nH]1)CCC2CC(=O)O)Cc1ccc(cc1)S(=O)(=O)N1CCCC1	PC-id_91183599	402.507	JJCMNQYQSDXBIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125209
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@@H](C(=O)O)C1	CoCoCo_6831999,ZINC22_17082479,PC-id_27522494	402.507	HMUFGBIGWBOOGP-GJZGRUSLSA-N	00100010100011000000000010000000000000000000000000000000	25-01-125210
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@@H](C(=O)O)C1	CoCoCo_6832001,PC-id_27522492,ZINC22_17082478	402.507	HMUFGBIGWBOOGP-CABCVRRESA-N	00100010100011000000000010000000000000000000000000000000	25-01-125211
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@H](C(=O)O)C1	ZINC22_17082480,PC-id_27522496,CoCoCo_6831998	402.507	HMUFGBIGWBOOGP-HUUCEWRRSA-N	00100010100011000000000010000000000000000000000000000000	25-01-125212
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)C1	ZINC22_17082481,CoCoCo_6832000,PC-id_27522498	402.507	HMUFGBIGWBOOGP-LSDHHAIUSA-N	00100010100011000000000010000000000000000000000000000000	25-01-125213
CCOc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1OCC	BindingDB-id_239524,PC-id_9426501,MCULE-2359673299,BindingDB_PC-id_9426501,ZINC22_8303091,CoCoCo_3200351,EMOLS-id_42652919	402.507	GDAYJRSFTJXIPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125214
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27522508,ZINC22_17082486,CoCoCo_6832058	402.507	UDLVDBPNXKKGGT-UONOGXRCSA-N	00000010100011000000000010000000000000000000000000000000	25-01-125215
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27522510,CoCoCo_6832059,ZINC22_17082487	402.507	UDLVDBPNXKKGGT-KBPBESRZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-125216
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27522514,ZINC22_17082489,CoCoCo_6832057	402.507	UDLVDBPNXKKGGT-KGLIPLIRSA-N	00000010100011000000000010000000000000000000000000000000	25-01-125217
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_17082488,PC-id_27522512,CoCoCo_6832060	402.507	UDLVDBPNXKKGGT-ZIAGYGMSSA-N	00000010100011000000000010000000000000000000000000000000	25-01-125218
O=C(OC(C)(C)C)NC(C(=O)NC1C(O)Cc2c1ccs2)Cc1ccccc1	PC-id_68677751,SCHEMBL3528338	402.507	MWQJRKOVLKYOTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125219
O=C(OC(C)(C)C)N[C@H](C(=O)NC1C(O)Cc2c1ccs2)Cc1ccccc1	PC-id_70324107,SCHEMBL8261950	402.507	MWQJRKOVLKYOTN-HJOIGYKYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125220
OC(=O)Cn1c(C)c(c2c1CCC2)Cc1ccc(cc1)S(=O)(=O)N1CCCC1	PC-id_45255013,SCHEMBL3343629	402.507	PZROROGXGOAYEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125221
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OCC)c(OCCCC)cc1	PC-id_24414302	402.507	DYNRTAFGYFCTNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125222
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCCC(C)C)cc1	PC-id_45766556	402.507	ZHSSGZMMSLNJDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125223
s1c2c(CCC2)c(c1NC(=O)CNc1cc(C(OC)C)ccc1)C(=O)OCC	PC-id_56420767	402.507	AQNSCPNBUFRUTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125224
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(OC)cc1)C)C(=O)OCC	PC-id_8778326	402.507	KFIKJZCSKZVFLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125225
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(OC)ccc1)C)C(=O)OCC	PC-id_2698250	402.507	XDLZDJDMGCMNEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125226
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(OC)cccc1)C)C(=O)OCC	PC-id_4818766	402.507	PJVPLGZTCFXSJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125227
s1c2c(CCC2)c(c1NC(=O)CN(CC(O)C)c1ccccc1)C(=O)OCC	PC-id_56449673	402.507	DIHPJPOOVMQCEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125228
c1(NC(=O)C(=Cc2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-1862662696	402.509	MXPAVTKLJXMSPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125229
CNC(=O)c1c(NC(=O)/C(=Cc2ccccc2)/c2ccccc2)sc2CCCc12	EMOLS-id_334328023	402.509	MXPAVTKLJXMSPE-CYVLTUHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125230
s1c2CCCc2c(c1/N=C/c1cc(OC)c(OCCc2ccccc2)cc1)C#N	PC-id_50885675	402.509	ZGXZVKWYHHWPPA-WGOQTCKBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125231
s1c2CCCc2c(c1N=Cc1cc(OC)c(OCCc2ccccc2)cc1)C#N	PC-id_75574214	402.509	ZGXZVKWYHHWPPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125232
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)n(C)nc2CCCc12	CoCoCo_5273037,EMOLS-id_24910442,ZINC22_23135730,PC-id_30859162,MCULE-2781429247	402.51	FSUCFMZJEIRROI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125233
c1(NC(=O)CC2CCCCC2)c2CSCc2nn1CC(=O)NCc1ccco1	EMOLS-id_24913449,PC-id_30862613,ZINC22_23139350,MCULE-3231044876,CoCoCo_5277713	402.51	ZXIZXBMMFGPBOE-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-125234
c1(NC(=O)CCc2ccc(cc2)OC)c2CSCc2nn1CC(=O)NCCC	ZINC22_23138875,MCULE-1322206735,CoCoCo_5277541,EMOLS-id_24913217,PC-id_30862200	402.51	LOZKYYICOXKKKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125235
c1(NC(=O)C(CC)c2ccccc2)c2CSCc2nn1CC(=O)NCCOC	MCULE-1599131759,PC-id_44053030,EMOLS-id_24913321	402.51	UKCSVFPSMDPVAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125236
c1(NC(=O)C(C)(C)C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	CoCoCo_5277789,PC-id_30862797,EMOLS-id_24913579,MCULE-8042417905,ZINC22_23139573	402.51	QEWIRRPUXQXRKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125237
c1(NC(=O)C(=O)NCCc2ccc(cc2)OC)c2CSCc2nn1C(C)(C)C	MCULE-4313996155,PC-id_7685545,ZINC22_5438268,CoCoCo_5184718,EMOLS-id_5617920	402.51	MEZOTESSHZHKGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125238
c1(NC(=O)C(=O)NCCc2ccccc2OC)c2CSCc2nn1C(C)(C)C	MCULE-8669908614,PC-id_7685543,CoCoCo_5184717,ZINC22_5438259,EMOLS-id_5617918	402.51	BGZNCAPRDFIWKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125239
c1(NC(=O)C(=O)NCCc2cccc(OC)c2)c2CSCc2nn1C(C)(C)C	CoCoCo_5184723,MCULE-8353826212,ZINC22_5438313,PC-id_7685556,EMOLS-id_5617928	402.51	NERWRBDZDACKFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125240
CC[C@@H](C(=O)Nc1c2c(nn1CC(=O)NCCOC)CSC2)c1ccccc1	CoCoCo_5277597,ZINC22_23139025,PC-id_30862336	402.51	UKCSVFPSMDPVAG-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125241
CC[C@H](C(=O)Nc1c2c(nn1CC(=O)NCCOC)CSC2)c1ccccc1	ZINC22_23139028,PC-id_30862339,CoCoCo_5277598	402.51	UKCSVFPSMDPVAG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125242
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)C1OCCC1)C#N	PC-id_24589097	402.51	JSFVSSSSVNDVQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125243
S1Cc2c(NC(=O)CCC3CCCC3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053258	402.51	LQRFENITAHXACZ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-125244
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)CCCC	PC-id_44053512	402.51	QLMXATRCBLPAMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125245
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)CC(C)C	PC-id_44053513	402.51	YBISNOPSHHQGDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125246
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)CCCc1ccccc1	PC-id_44053031	402.51	HJKVUHGFBLUORN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125247
S1Cc2c(nn(c2NC(=O)c2ccc(OC(C)C)cc2)CC(=O)NCCC)C1	PC-id_44052879	402.51	ZSKRLMDKNIMTRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125248
S1Cc2c(nn(c2NC(=O)Cc2ccc(OCC)cc2)CC(=O)NCCC)C1	PC-id_44052915	402.51	IKAPSSVBAXNTCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125249
S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(=O)Nc1n(nc2c1CCC2)C	PC-id_45536299	402.51	RIAUGKNZOCXIMU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125250
S(=O)(=O)(N1CC(CCC1)C)c1ccc(cc1)C(=O)Nc1n(nc2c1CCC2)C	PC-id_45536300	402.51	QUWNFOOZNPBVQB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125251
S(=O)(=O)(N1C(CCCC1)C)c1ccc(cc1)C(=O)Nc1n(nc2c1CCC2)C	PC-id_45536301	402.51	VQISSABQCBWCAY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125252
S(=O)(=O)(N1CCCCCC1)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536282	402.51	ZFWMPJQVCCFHJX-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-125253
S(=O)(=O)(NCC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)Cc1ccccc1	PC-id_45199874	402.51	XIFRWLFCIUSFOO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125254
CCN(CC)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021548,EMOLS-id_45970104	402.512	UJDPNBQCPKQBPN-HFIOFXJDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125255
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)C=Cc1ccccc1	MCULE-4192768227	402.512	UJDPNBQCPKQBPN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125256
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCN(CC1)Cc1nccn1C	PC-id_86947219	402.514	XMSCRGAUXWHQBF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125257
s1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(CC2)CN)(C)C)ccc1	PC-id_10363756	402.514	WIPBNDKORAPKKF-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-125258
c1(c2cccs2)nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-8716357546,EMOLS-id_335762850	402.517	NGXIDMHEELPXOJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-125259
N#Cc1c(NC(=O)CSc2nnnn2Cc2cccs2)sc2c1CCC2	CoCoCo_4235919,EMOLS-id_43983120,MCULE-3311437921,ZINC22_8075659,PC-id_9208473	402.517	XECMCEMQUVIQAQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-125260
CC(C)(C)Oc1ccccc1CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1999864016,EMOLS-id_328212602	402.529	NXOOQMNZGJEYJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125261
CCOc1ccc(C)cc1C(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213616,MCULE-1169279548	402.529	OAIQZJALNNDIPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125262
COc1ccc(cc1)C(C)CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6695607591,EMOLS-id_328212607	402.529	LRCLLKAHKPUKFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125263
COCCS(=O)(=O)N1CCC(CC1)NC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956519	402.529	RKTKBENGNWHAFG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-125264
c1(NC(=O)C=Cc2cccs2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9861055887	402.53	AINMJDKYCCRCRO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-125265
c1(NC(=O)CS(=O)CCCCOc2ccccc2)sc2c(CCC2)c1C#N	MCULE-4809081464,EMOLS-id_320644596	402.53	WFSAVOWEHCGUCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125266
c1(NC(=O)CS(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C#N	MCULE-3448476091,EMOLS-id_320644084	402.53	UWXHWKULMDTVHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125267
c1(NC(=S)NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_19187879,MCULE-2122262799	402.53	CXPTYCOBFXIHPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125268
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCCOc1ccc(C)cc1	EMOLS-id_186627508,MCULE-9077934975	402.53	IWZMFBBVMXZSIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125269
Cc1cccc(c1)OCC[N@@H+]([C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	GD-id_ZINC15100839	402.53	GSGWERCJGDEURY-CQSZACIVSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125270
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C)cc2C)sc2c1CCC2	ZINC22_6439357,PC-id_4442648	402.53	WSFXOLKXOOOWIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125271
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(C)cc(C)c2)sc2c1CCC2	PC-id_19631184,ZINC22_17082525	402.53	DJGZQRAUBKGXOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125272
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(CC)cc2)sc2c1CCC2	ZINC22_408627118	402.53	KJHWXPOHESSUBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125273
COc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]C(C)(C)C)sc2c1CCC2	PC-id_7279759,GD-id_ZINC04553408	402.53	ICPICCRLTPIWRT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125274
COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@@H](O)CN(C)C(C)C	ZINC22_11664512,CoCoCo_1170850,CoCoCo_1170854,PC-id_42098202,CoCoCo_1170848,CoCoCo_1170852	402.53	ZEFUQOFAVUETMO-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125275
COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@H](O)CN(C)C(C)C	ZINC22_11664513,CoCoCo_1170849,CoCoCo_1170853,CoCoCo_1170847,CoCoCo_1170851,PC-id_42098204	402.53	ZEFUQOFAVUETMO-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125276
COc1cc(CNCc2n[nH]c3CCCc23)ccc1OCC(O)CN(C)C(C)C	EMOLS-id_20428735,PC-id_45177080,MCULE-3065122588	402.53	ZEFUQOFAVUETMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125277
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	PC-id_2542475,CoCoCo_3309622,ZINC22_3423172	402.53	CZOQCYZMZXXZGO-NTEUORMPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125278
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)S(=O)(=O)/C=Cc1ccccc1	CoCoCo_3309623	402.53	CZOQCYZMZXXZGO-ZROIWOOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125279
O=C(c1sc2c(c1)CCC2)N1CCN(CC1)S(=O)(=O)C=Cc1ccccc1	MCULE-8524049544,PC-id_4876227	402.53	CZOQCYZMZXXZGO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125280
O=C(Nc1sc2CCCc2c1C(=O)NCC1CCCO1)/C=C/c1cccs1	EMOLS-id_334333611	402.53	AINMJDKYCCRCRO-CMDGGOBGSA-N	00000010100100000000000010000000000000000000000000000000	25-01-125281
O=C(NC[C@@H]1CCCN1C(=O)[C@H](O)C1CCCCCCC1)c1cnn2c1CCC2	ZINC22_2325827538	402.53	JBFKBXBHOSVTBF-FXAWDEMLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-125282
O=C(NC[C@@H]1CCCN1C(=O)[C@@H](O)C1CCCCCCC1)c1cnn2c1CCC2	ZINC22_2325827539	402.53	JBFKBXBHOSVTBF-PXNSSMCTSA-N	00000010100000000101000010000000000000000000000000000000	25-01-125283
O=C(NC[C@H]1CCCN1C(=O)[C@@H](O)C1CCCCCCC1)c1cnn2c1CCC2	ZINC22_2325827540	402.53	JBFKBXBHOSVTBF-XLIONFOSSA-N	00000010100000000101000010000000000000000000000000000000	25-01-125284
O=C(NC[C@H]1CCCN1C(=O)[C@H](O)C1CCCCCCC1)c1cnn2c1CCC2	ZINC22_2325827541	402.53	JBFKBXBHOSVTBF-YLJYHZDGSA-N	00000010100000000101000010000000000000000000000000000000	25-01-125285
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccc(OCC)cc1)C)C)C(=O)N	PC-id_9494917	402.53	KJFPUIJLNBRJPD-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125286
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccc(OCC)cc1)C)C)C(=O)N	PC-id_9494921	402.53	KJFPUIJLNBRJPD-CYBMUJFWSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125287
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(OC)ccc(c1)C)C)C)C(=O)N	PC-id_36334436	402.53	NNJAVYXVBJUJCX-ZDUSSCGKSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125288
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(OC)ccc(c1)C)C)C)C(=O)N	PC-id_36334443	402.53	NNJAVYXVBJUJCX-CYBMUJFWSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125289
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](CCOc1c(cccc1)C)C)C)C(=O)N	PC-id_26425597	402.53	RQZUFTLFBXHYNI-CQSZACIVSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125290
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](CCOc1c(cccc1)C)C)C)C(=O)N	PC-id_26425599	402.53	RQZUFTLFBXHYNI-AWEZNQCLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125291
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](CCOc1ccc(cc1)C)C)C)C(=O)N	PC-id_26429753	402.53	JWHFNOPATAOFHY-CQSZACIVSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125292
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](CCOc1ccc(cc1)C)C)C)C(=O)N	PC-id_26429755	402.53	JWHFNOPATAOFHY-AWEZNQCLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125293
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCC1)c1n(ccc1)C)C(=O)OCC	PC-id_78592232	402.53	UKGRNTIZIBQYAZ-UHFFFAOYSA-O	00000010110000000000100010000000000000000000000000000000	25-01-125294
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)c1n(ccc1)C)C(=O)OCC	PC-id_8008730	402.53	UKGRNTIZIBQYAZ-INIZCTEOSA-O	00000010110000000000100010000000000000000000000000000000	25-01-125295
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)c1n(ccc1)C)C(=O)OCC	PC-id_8008732	402.53	UKGRNTIZIBQYAZ-MRXNPFEDSA-O	00000010110000000000100010000000000000000000000000000000	25-01-125296
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1ccc(OCC)cc1)C)C)C(=O)N	PC-id_85025902	402.53	KJFPUIJLNBRJPD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125297
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(OC)ccc(c1)C)C)C)C(=O)N	PC-id_74649546	402.53	NNJAVYXVBJUJCX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125298
s1c2c(CCC2)c(c1NC(=O)C([NH+](CCOc1c(cccc1)C)C)C)C(=O)N	PC-id_85455062	402.53	RQZUFTLFBXHYNI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125299
s1c2c(CCC2)c(c1NC(=O)C([NH+](CCOc1ccc(cc1)C)C)C)C(=O)N	PC-id_85455104	402.53	JWHFNOPATAOFHY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125300
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(C(C)C)cc1)C(=O)OC	PC-id_17177631	402.53	GVXISUDFVVSBFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125301
s1c2c(CCC2)c(c1NC(=S)NC(=O)Cc1c(cccc1)C)C(=O)OCC	PC-id_26163777	402.53	XBXVSWXJNSXWFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125302
s1c2c(CCC2)c(c1NC(=O)C[NH+](C(c1ccccc1)c1ccccc1)C)C#N	PC-id_8730409	402.532	WPUBHXJRVZKOKP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125303
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1ccccn1	EMOLS-id_30081122,MCULE-1255315626,CoCoCo_6964800,PC-id_19655140,SPECS-id_AO-476/43417034,ZINC22_13830377	402.534	XVCUOEGJZADUKA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-125304
CC(Cn1nc(c2c1sc(c2)C(=O)NNC(=O)c1sc2c(c1)CCC2)C)C	PC-id_24502905,MCULE-2689078603,EMOLS-id_16692635,CoCoCo_3914505	402.534	GEVHNMADMTYKKI-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-125305
s1c2CCCc2c(c1NC(=O)CN(CC(=O)NCc1sccc1)CC)C#N	PC-id_8906417	402.534	CVGXVAWFMLYCEP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-125306
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1)Cc1ccccc1	PC-id_109389427	402.535	RJLULMSXDBQZMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125307
CCNC(=NCc1nnc2n1CCC2)NCCC(c1ccccc1)c1ccccc1	PC-id_111020281	402.535	SJCFBRKADXRCER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125308
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(C(=O)N1CCCC1)C	PC-id_109645409	402.537	BJPIFCLLKHGJCI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125309
N=C(N)Nc1nc(CSCCNC2=NS(=O)(=O)c3cscc23)cs1	CHEMBL287741,PC-id_136090846,SCHEMBL10811150	402.539	FGGRWIBXEFOREG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-125310
c1(NC(=O)CCCCCCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1908344860,EMOLS-id_334344099	402.55	DZFMSFIJYFNQBI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-125311
CC(C)CNC(=O)C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	PC-id_40146274,CoCoCo_4682579,ZINC22_32909505,CoCoCo_4682580,MCULE-8246532667,EMOLS-id_23995447	402.553	DGLMWAATUQPZOZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-125312
s1c2c(CCC2)c(c1NC(=O)CCN(CCC1CCCCC1)CC(=O)N)C#N	PC-id_56381255	402.553	WSWOIJLUUJAQOB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-125313
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC1OCCC1)Cc1sccc1)C#N	PC-id_84916254	402.553	QBQBSVUXDMBDMB-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-125314
s1c2c(CCC2)c(c1NC(=O)C[NH+](C[C@H]1OCCC1)Cc1sccc1)C#N	PC-id_9055296	402.553	QBQBSVUXDMBDMB-AWEZNQCLSA-O	00000010100100000000000010000000000000000000000000000000	25-01-125315
s1c2c(CCC2)c(c1NC(=O)C[NH+](C[C@@H]1OCCC1)Cc1sccc1)C#N	PC-id_9055298	402.553	QBQBSVUXDMBDMB-CQSZACIVSA-O	00000010100100000000000010000000000000000000000000000000	25-01-125316
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	GD-id_ZINC15077661,PC-id_26410211	402.554	MNIJDDNFRLHJDX-QGZVFWFLSA-O	00000010100010000001000010000000000000000000000000000000	25-01-125317
O=C(NCC1[NH+](CCC1)CC)CCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_74504040	402.554	MNIJDDNFRLHJDX-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-125318
O=C(NC[C@H]1[NH+](CCC1)CC)CCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_26410213	402.554	MNIJDDNFRLHJDX-KRWDZBQOSA-O	00000010100010000001000010000000000000000000000000000000	25-01-125319
s1c(C(N2CCCC2)CNC(=O)NC(c2n3CCCc3nn2)C(C)C)ccc1	PC-id_60277214	402.557	MMNZUTNEPQDKCY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-125320
c1(NC(=O)CCCSC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3730462174,EMOLS-id_334335649	402.573	RIPBRMGXDRSXFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125321
O=C(c1sc2c(c1)CCC2)NCC(CNC(=O)c1sc2c(c1)CCC2)(C)C	PC-id_112771991	402.573	BQOREFJHAXSBAZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-125322
s1c2c(CCC2)c(c1NC(=O)CSc1cc(C(C)(C)C)ccc1C)C(=O)N	PC-id_4095432	402.573	NHSSSABGHWCFDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125323
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_19675528	402.573	SIWDFHDCTKDDQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125324
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(CCC)cc1)C)C(=O)OC	PC-id_20168392	402.573	NKDNYCAKDINBTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125325
COCc1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324898824	402.651	LSJHLHKKIULYLJ-OQFOIZHKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125326
n12nc(nc1sc(=Cc1cc(cc(Br)c1O)Cl)c2=O)COC	MCULE-7572806987	402.651	LSJHLHKKIULYLJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125327
COc1ccc(Cn2nc3CCC(C)c3c2I)cc1Cl	EMOLS-id_330962869,MCULE-9017494474	402.658	XAHXTKFUYHVMIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125328
COc1ccc(Cn2nc3CCC(C)c3c2I)c(Cl)c1	MCULE-8070838163,EMOLS-id_330963125	402.658	FVTVYJOCVKZQDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125329
COc1ccc(Cn2nc(I)c3C(C)CCc23)cc1Cl	EMOLS-id_330978809,MCULE-8163282241	402.658	VPAWZFPIFQJTEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125330
COc1ccc(Cn2nc(I)c3C(C)CCc23)c(Cl)c1	EMOLS-id_330979065,MCULE-9716267498	402.658	KWQPPYPSEAZQQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125331
COc1cc(Cl)ccc1Cn1nc2CCC(C)c2c1I	MCULE-6821740977,EMOLS-id_330962361	402.658	HVEJQDLSIOKBAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125332
COc1cc(Cl)ccc1Cn1nc(I)c2C(C)CCc12	EMOLS-id_330978301,MCULE-6749539408	402.658	JZGWRBWRULICAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125333
COc1cc(Cn2nc3CCC(C)c3c2I)ccc1Cl	EMOLS-id_330962105,MCULE-6685393234	402.658	XVPXSPXMXBHXAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125334
COc1cc(Cn2nc(I)c3C(C)CCc23)ccc1Cl	EMOLS-id_330978045,MCULE-2119558480	402.658	WEWFRRUYJNBXRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125335
CC(C)(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324910606	402.726	XCZCZOKSJBJDFH-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125336
n12c(=O)c(=Cc3ccc(cc3)C(C)(C)C)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-2377897425	402.726	XCZCZOKSJBJDFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125337
F[C@@H]1CN(C[C@@H]1F)C(C1CCc2n1c(=O)n(n2)Cc1ccc(c(c1)Cl)F)O	SCHEMBL19609893	402.799	WESBVZBIZQJKLK-KKNUOHPOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125338
c1(C(=O)OC)nc(sc1c1ccc(cc1)Cl)NC(=O)c1c2CCCc2[nH]n1	EMOLS-id_323256758,MCULE-8250849672	402.855	SWYMUTNMEXBXRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125339
Clc1cc(NC(=O)COC(=O)c2sc3CCCc3c2)c(n2ncnc2)cc1	PC-id_7623652	402.855	WXKICMYPFWVBPM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125340
Clc1c(c2nn(nn2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_8553238	402.858	MOCZOXFUIQGCTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125341
Clc1ccc(c2nn(nn2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_38872946	402.858	JUCMVASZSKHCOR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125342
Clc1n(nc(c1C=NNC(=O)c1sc2CCCc2c1)C)c1ccc(F)cc1	PC-id_85015576	402.873	XUYUICJDLMEGIT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125343
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)C(C)Oc1cccc(Cl)c1	EMOLS-id_207862995,MCULE-7774267895	402.875	QWVTXVCDNRVGQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125344
Clc1c(cc(N(CCC#N)C(=O)COC(=O)c2sc3CCCc3c2)cc1)C	PC-id_24567545	402.894	OREAIFHZYLHRGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125345
CC(=NO)COc1c(cc(c(c1)N=c1n2CC(Sc2ns1)(C)C)F)Cl	PC-id_88628973,SCHEMBL10546853	402.895	HYGGBDZAFIVUHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125346
Clc1c(OCC(N=O)C)cc(/N=c/2snc3SC(Cn23)(C)C)c(F)c1	PC-id_53653982	402.895	AOPMRZMPAKXKLY-AQTBWJFISA-N	00000010100000110001000010000000000000000000000000000000	25-01-125347
O/N=C(COc1cc(/N=c/2snc3n2CC(S3)(C)C)c(cc1Cl)F)/C	SCHEMBL10546850	402.895	HYGGBDZAFIVUHN-JPPOAESPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125348
Clc1c(NC(=O)CN(CC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_2698520	402.898	NQOKJPPHVSYTNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125349
CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-8949738163,ZINC22_3586461,CoCoCo_3585143,PC-id_2699229,CoCoCo_3585144,EMOLS-id_48935325	402.898	LGMGMJAXKQNCOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125350
Cc1c(Cl)cccc1n1ccnc1SCC(=O)NCc1nnc2n1CCC2	PC-id_45868511,MCULE-1517699531,ZINC22_36396369,CoCoCo_4658150,EMOLS-id_29581880	402.901	LSHMFMCFODJQLX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125351
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)Cl	ZINC22_2483711,EMOLS-id_2569136,MCULE-4616231212,PC-id_3886318,CoCoCo_1740151	402.918	JTSKYRVCPOMQTD-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-125352
C1Cc2c(C1)sc(c2)C(=O)N/N=C/c1c(nc(s1)Nc1ccccc1)Cl	PC-id_135763392	402.921	AQNZLYPJTIPESU-KEBDBYFISA-N	00000010100000110001000010000000000000000000000000000000	25-01-125353
Clc1c(N2CCN(CC2)C(=O)NC(c2n3CCCc3nn2)C(C)C)cccc1	PC-id_60273808	402.921	ZIKVRFKJAPKJRT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125354
ClC1=NC(=Nc2ccccc2)SC1=CNNC(=O)c1sc2CCCc2c1	PC-id_9259147	402.921	TVKYEQQLKDFWGC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-125355
c1(c2CCCc2sc1NC(=O)CN1CCCCC1)C(=O)c1ccccc1Cl	PC-id_1465613,EMOLS-id_6579835,ASN-05338763,MCULE-6133932429,ZINC22_4847592	402.938	RALHGAIARVIIRF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-125356
C1CCC(CC1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20339110,PC-id_135187053	402.938	URRKIDXDAXMKMU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-125357
C1CC(CC(=O)C1)C(=O)Nc1c(c2c(s1)CCC2)CNc1ccc(cc1)Cl	PC-id_135200377,SCHEMBL20353960	402.938	MKSUOIITIDDRJZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-125358
Clc1cc(N(CC(=O)NC2CCCC2)C(=O)c2sc3CCCc3c2)ccc1	PC-id_3214861	402.938	YRQZYLDRVFJYPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125359
Clc1c(C(=O)Nc2sc3c(C(CC3)(C)C)c2C(=O)NCC2CC2)cccc1	BindingDB_PC-id_71457677,PC-id_71457677	402.938	FICZWEWNSVCQDH-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-125360
CN(CCO)C1=CC2=C([I-]1)C=C(S2)/C=C(C#N)/C(=O)O	PC-id_163983150	402.962	AEUFGNNGQXOMPP-XBXARRHUSA-N	00000011100000000000000010000000000000000000000000000000	25-01-125361
Brc1c(C(=O)c2n3CCC(c3c(Cl)c2Cl)C(=O)O)cccc1	PC-id_20405058,SCHEMBL11005560	403.055	STSPBXAJKCKUIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125362
CCOC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N)Cl	PC-id_154663341	403.074	JFPDUYUCTYYQHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125363
CC1=C(NN=C1)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4Cl	PC-id_164872285	403.087	UTZBKDGIYHAAGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125364
Brc1cnc(c(n1)Br)NC(=O)c1sc2c(c1)CCC2	PC-id_108376859	403.092	ANARHNAPFYAMLS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-125365
Brc1c2S(=O)(=O)N(C(C)(C)C)C(=O)c2sc1Br	PC-id_16639346	403.111	XGTISTNXRQOGIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125366
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3F)OCCO)SC4=CC=NN4	PC-id_164872297	403.111	WVOUQFZKEUOBGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125367
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CN(C=N3)CC(F)F	PC-id_164872310	403.113	RTOCVHFKFGIIDW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125368
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CN(N=C3)CC(F)F	PC-id_164931963	403.113	DYQKGLCAAIJNRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125369
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=NN(C=C3)CC(F)F	PC-id_164872015	403.113	QXTWHFMAIYIFOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125370
CC1=CN(N=C1SN2C=C3CN(CC3=N2)C(=O)OC(C)(C)C)CC(F)(F)F	PC-id_164871984	403.129	JOOFSRMEDIMFJA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125371
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)SC3=CN(N=C3)CCC(F)(F)F	PC-id_164872241	403.129	UQQCTNSDXWTYNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125372
C1CC2=C(C1)NN=C2C(=O)C[C@@H](C3=CC=C(C=C3)C(F)(F)F)C4=C(C=CC=N4)F	PC-id_161800068	403.131	XSNZWFDGBDBPRZ-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125373
C/C=C(C=N)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)C(C3=C(C=CC=N3)C)OC	PC-id_164872288	403.131	VVUHKLZFVOLPTF-DGKCSWKRSA-N	00000010100000101001000010000000000000000000000000000000	25-01-125374
CNC(c1ncc(cc1Br)Br)c1sc2c(n1)CCC2	PC-id_104272602	403.135	BOEHGLGKSUKNPW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-125375
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(c(Br)c2)C(F)(F)F)n1	MCULE-3044458869,EMOLS-id_330985715	403.194	GBDAUAQPLQDWGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125376
c1(C(=O)O)c2C(C)CCc2n(Cc2ccc(cc2Br)C(F)(F)F)n1	MCULE-6225261490,EMOLS-id_330987250	403.194	SOWKYJOYTHEOQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125377
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)C(F)(F)F	EMOLS-id_330968766,MCULE-2504329670	403.194	FISFEEYNDMATPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125378
c1(C(=O)O)c2C(C)CCc2nn1Cc1ccc(cc1Br)C(F)(F)F	EMOLS-id_330966206,MCULE-3856481087	403.194	QWOJLAKWJVWEDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125379
CC1(C2=C(CN1)C(=NN2[C@H](CN(C)C)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C	PC-id_154484767	403.237	DZVFWWRHTFMMAM-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125380
OCCOCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncsc12	BindingDB_PC-id_78318415,SCHEMBL15903324,BindingDB-id_412896,PC-id_78318415	403.28	JFJGBPVPVZWNQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125381
C1C(Sc2[n+]1c(c(s2)C=Nc1ccccc1)O)CI	PC-id_135592217	403.282	RQARLZWDTJRCDM-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-125382
c1(NC(=O)c2ccc(c3ccc(cc3Cl)Cl)o2)sc2c(CCC2)c1C#N	PC-id_5030840,CoCoCo_6045054,MCULE-4153657336,ZINC22_4690263,EMOLS-id_1781268,SPECS-id_AN-153/I215685	403.282	VTQNKOHSPFVSSZ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-125383
c1(NC(=O)c2ccc(c3ccc(c(Cl)c3)Cl)o2)sc2c(CCC2)c1C#N	MCULE-1320551533,PC-id_2294495,CoCoCo_5959474,SPECS-id_AN-153/I203054,EMOLS-id_2181905,ZINC22_2997999	403.282	SCNGZBRIEISGJF-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-125384
c1(NC(=O)c2ccc(c3cc(Cl)ccc3Cl)o2)sc2c(CCC2)c1C#N	MCULE-6278855519,EMOLS-id_6113343,ZINC22_6240601,PC-id_3683022,CoCoCo_5976973	403.282	FTPAVVBTPBULFK-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-125385
Clc1c(c2oc(C(=O)Nc3sc4CCCc4c3C#N)cc2)cccc1Cl	PC-id_4511746	403.282	OTVWAERPAYXGMO-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-125386
CC(C)(C)OC(=O)CCC(C(=O)N)N1Cc2c(C1=O)scc2Br	PC-id_134608324,SCHEMBL20263310	403.291	HGOFZOWUSKPVOW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-125387
Brc1ccc(cc1)C(=O)CCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327895817,MCULE-9961741132	403.293	YSRBQMJNWOMNQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125388
COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_408629295	403.293	VTMVLAIHHPJGNO-VMPITWQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125389
Brc1ccc(c2sc(C(=O)NCc3n4CCCc4nn3)cc2)cc1	PC-id_39296797	403.296	AILTWVYDNRSGIE-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-125390
Brc1ccc(n2ncc(c2C)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_33041141	403.296	DPVLJNRPUNGSCB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125391
Clc1cc(Cl)c(cc1OCc1ccccc1)C(c1n(C)nc2c1CCC2)O	PC-id_68715027,SCHEMBL3615646	403.302	LLYHEJNHFLVUNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125392
FC1CN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19584508	403.307	MYWOHECNODFHID-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-125393
Brc1cncc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109720	403.316	QMWAPWWLBZABHU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-125394
CN=C(NCc1nnc2n1CCC2)NCC1(CC1)c1cccc(c1)Br	PC-id_111572671	403.319	WNJDPIDQAOBUJD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-125395
CN=C(NCc1nnc2n1CCC2)NCC1(CC1)c1ccccc1Br	PC-id_111649788	403.319	CGNSWJYTKNOZHB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-125396
Cn1c(c2CCCc2n1)NC(=O)C=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	MCULE-8585236757,EMOLS-id_300876001,PC-id_91942745	403.322	KYUGBSQPTNWHIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125397
Cn1nc2c(c1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2	ZINC22_65856159,PC-id_75418073	403.322	KYUGBSQPTNWHIJ-AATRIKPKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125398
Brc1sc(c(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)c1)C	PC-id_80226183	403.338	LLLWLXCKGKELGR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-125399
Brc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cc1C	PC-id_79998785	403.338	KXOSQAPXQBTARN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-125400
c1(NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C(=O)N	TIMTEC35935,SPECS-id_AG-390/14786009,TIMTEC35936,MCULE-4149689302,ZINC22_721364,PC-id_1046785,EMOLS-id_7654000,CoCoCo_6890765	403.343	YJZODQMTGYMDAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-125401
CCC(=O)NC(Nc1sc2c(c1C(=O)N)CCC2)(C(F)(F)F)C(F)(F)F	MCULE-8392055845,ChEMBL-DNDi_CHEMBL3448-8318,ZINC22_4177323,EMOLS-id_10960092,CoCoCo_1743930,PC-id_621456	403.343	KNMNSGLVJXFYMG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-125402
CCOC(=O)c1c2n(nc1C(C(=O)OCC)(F)F)CCN2C(=O)OC(C)(C)C	SCHEMBL18740066	403.378	ZAWSJTNIBHBVRH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125403
FC(F)(F)c1ccccc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324842738	403.378	SMSVGEWOIHGDHC-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125404
FC(F)(F)c1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324842226	403.378	USXDKMFAGFBCLC-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125405
FC(F)(F)c1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324909579	403.378	WXKJJDBFAKMNSU-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125406
n12c(=O)c(=Cc3cccc(c3)OCc3ccccc3)sc1nc(C(F)(F)F)n2	MCULE-7762960182	403.378	WXKJJDBFAKMNSU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125407
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1ccccc1	MCULE-5858732690	403.378	USXDKMFAGFBCLC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125408
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1ccccc1	MCULE-6234012242	403.378	SMSVGEWOIHGDHC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125409
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])OC)CNC2(C)C	PC-id_68986609,SCHEMBL4284883	403.389	SXAUWRNVJRLFQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125410
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)O)cc1)C	SCHEMBL5541521,PC-id_69481185	403.389	SWHROOQYAWIMJO-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125411
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)O)cc1)C	SCHEMBL5541530,PC-id_69481188	403.389	SWHROOQYAWIMJO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125412
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2CCN(CC2)C(=O)O)ccc1)C	SCHEMBL5535402,PC-id_69479310	403.389	MKUAPULODWICJH-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125413
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2CCN(CC2)C(=O)O)ccc1)C	SCHEMBL5535406,PC-id_69479314	403.389	MKUAPULODWICJH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125414
O=C(c1ccccc1C(F)(F)F)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109371	403.398	LLYCAPVDNZYHHD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125415
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1cccc(c1)C(F)(F)F	PC-id_92109372	403.398	CJBUCPVEKFABDI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125416
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)C(F)(F)F	PC-id_92109373	403.398	ZKGJUERCRBPWIY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125417
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1nc(cs1)c1cc(c(cc1)F)F	SCHEMBL2696276,PC-id_87424169	403.406	CRLUTCPZXNVCIR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125418
Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1[N+](=O)[O-]	PC-id_4844479,EMOLS-id_15239498,ZINC22_5938612,CoCoCo_2927339,MCULE-2382947709	403.409	JUIHORDMLYGYEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125419
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_43002919	403.409	ABHHDLRVJGIEMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125420
s1c2c(CCC2)c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)OCC	PC-id_7521515	403.409	CXDSBLZBJGKYLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125421
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)NC(=O)OCC	PC-id_7521516	403.409	QDXXSVLKDYRGHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125422
s1c2c(CCC2)c(c1NC(=O)c1c([N+](=O)[O-])cccc1)C(=O)NC(=O)OCC	PC-id_7521546	403.409	FWPPBVKZFBCBOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125423
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cccc1[N+](=O)[O-])C)C(=O)N	PC-id_33349165	403.409	SNIRRARHPBFQMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125424
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c([N+](=O)[O-])ccc1)C)C(=O)N	PC-id_2564299	403.409	XRLRQNPEVZDBJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125425
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])c(ccc1)C)C(=O)N	PC-id_2612060	403.409	NODQSFCKCRZFHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125426
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c([N+](=O)[O-])cccc1)C(=O)N	PC-id_26806056	403.409	KZIUBRFHKSLTDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125427
c1(NC(=O)COc2nonc2CC(=O)N2CC(O)C2)sc2CCCc2c1C#N	EMOLS-id_333691687,MCULE-8176764376	403.412	GLKBATNUAFWAQQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-125428
c1(NC(=O)COc2nonc2C(=O)N2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_333661641,MCULE-6109416096	403.412	SGFFUPZQRBWVDO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125429
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)F)C(=O)OC	PC-id_2940474,MCULE-3707973378	403.424	UBHZWFLCJZSHGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125430
COC(=O)C1CCc2sc(NC(=O)/C=C/c3ccc(F)cc3)c(C(=O)OC)c12	EMOLS-id_25960333,PC-id_5738096	403.424	UBHZWFLCJZSHGY-BJMVGYQFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125431
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)F)sc2c1[C@@H](CC2)C(=O)OC	CoCoCo_934104	403.424	UBHZWFLCJZSHGY-OMPYUXFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125432
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)F)sc2c1[C@H](CC2)C(=O)OC	CoCoCo_934106	403.424	UBHZWFLCJZSHGY-PRFOUVDFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125433
COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_934105,PC-id_1569834,ZINC22_955057	403.424	UBHZWFLCJZSHGY-ZQNFCJTASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125434
COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1191380,ZINC22_955059,CoCoCo_934103	403.424	UBHZWFLCJZSHGY-KADSFNECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125435
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(F)cc1)C(=O)OC	PC-id_35687133	403.424	APJVEXPGHHZXMV-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125436
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(F)cc1)C(=O)OC	PC-id_74643210	403.424	APJVEXPGHHZXMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125437
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(F)ccc1)C(=O)OC	PC-id_35686876	403.424	GVAXZEAMJADCBL-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125438
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(F)ccc1)C(=O)OC	PC-id_74643194	403.424	GVAXZEAMJADCBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125439
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(F)cccc1)C(=O)OC	PC-id_40652940	403.424	SXVWBEQQTGNCBV-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125440
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(F)cccc1)C(=O)OC	PC-id_74710186	403.424	SXVWBEQQTGNCBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125441
Fc1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCCCC2)(C)C)ccc(F)c1	PC-id_10386447	403.426	XHUQGEGMQRXPCM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125442
c1(NC(=O)C(=O)NN=C(C)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OC	MCULE-3512888080,PC-id_3535402	403.427	BRLVDTFHIZZDEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125443
COC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccc(cc2)F)C)sc2c1CCC2	PC-id_9624808,STOCK4S-47135,EMOLS-id_26341901	403.427	BRLVDTFHIZZDEN-LSHDLFTRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125444
O=C(C(C1CC(=O)c2c1c[nH]c2)C(=O)OCc1ccccc1)OCc1ccccc1	PC-id_101561825	403.427	CZZYGRJXODTLIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125445
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(c1ccc(F)cc1)/C)C(=O)OC	PC-id_5854304	403.427	BRLVDTFHIZZDEN-YVNNLAQVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125446
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(F)cc1)C(=O)OCC	PC-id_19661409	403.427	PGVDSJHQMHKOKX-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125447
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(F)cc1)C(=O)OCC	PC-id_73635842	403.427	PGVDSJHQMHKOKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125448
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C)c1ccc(F)cc1)C(=O)OC	PC-id_2011017	403.427	PAYGIEPZTQBWMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125449
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_27522633	403.429	RJJXGAMSAURHML-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-125450
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_27522631	403.429	HSRQDNPQXBWVQH-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-125451
CC[N+]1(c2c(C(=N1)NC(=O)NCc1ccccc1)sc(c2)C(=O)OC)C(=O)O	PC-id_91326426	403.432	IIYVFWNWOKSODU-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-125452
CC(C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)c1ccccc1	SCHEMBL2919708,PC-id_68441037	403.434	UICQOCNZOXCYMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125453
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(=O)C)NCc1ccccc1	SCHEMBL2923113,PC-id_68442278	403.434	HTZNGGFAYYBDKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125454
O=C(N1Cc2c(C1)n(nc2)NC(=O)c1ccccc1C(=O)C)NCc1ccccc1	PC-id_70008561,SCHEMBL7161827	403.434	KSTFUFNRBFJCQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125455
O=C(N1Cc2c(C1)n[nH]c2NC(=O)c1ccccc1C(=O)C)NCc1ccccc1	PC-id_68440935,SCHEMBL2919414	403.434	XEGIHTIMHTUIGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125456
O=C(N1Cc2c([nH]nc2NC(=O)Cc2c(cccc2)C)C1)NC(=O)c1ccccc1	PC-id_68442259,SCHEMBL2923063	403.434	NETXMPHMUZBQFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125457
O=C(N1Cc2c([nH]nc2NC(=O)Cc2cc(ccc2)C)C1)NC(=O)c1ccccc1	PC-id_68442460,SCHEMBL2923562	403.434	QKFUKEFWEAJTHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125458
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccc(cc2)C)C1)NC(=O)c1ccccc1	SCHEMBL2924926,PC-id_68443012	403.434	GCUUERNLQGWIJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125459
O=C(N1Cc2c([nH]nc2NC(=O)CCC(=O)c2ccccc2)C1)Nc1ccccc1	PC-id_68442495,SCHEMBL2923662	403.434	SGBKWLNTAHIFTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125460
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1noc(c1)c1cccnc1	PC-id_92109513	403.434	LGPCKDCNRTZNIP-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-125461
O=C(c1cccc(c1)n1cnnn1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109264	403.437	KKMIMMZKZHIHGS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-125462
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccc1OCC)C(=O)OC	MCULE-3261075239,PC-id_19166063	403.449	SFWHFDIOIROJHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125463
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccccc1C)C(=O)OC	EMOLS-id_1463137,PC-id_3151739,MCULE-5393827906,BAS-05138530,ChEMBL-DNDi_CHEMBLF3096-2754	403.449	JTJLCSGLTAVADU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125464
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)C)C(=O)OC	PC-id_19166064,MCULE-8511070195	403.449	VKLLTHSSWXWFQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125465
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cccc(C)c1)C(=O)OC	EMOLS-id_1327864,PC-id_2789270,MCULE-5864696157,BAS-01292126,STOCK2S-59148	403.449	ALJFCPFADIJEMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125466
CC(C)Oc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC	PC-id_89617308,SCHEMBL15015421	403.449	YIXRRKLQTZAFPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125467
CCCOc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC	PC-id_89617339,SCHEMBL15015456	403.449	KXQQORWUQQIBNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125468
CC(C)Oc1c(ccc(c1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC	SCHEMBL15015484,PC-id_89617362	403.449	BBRDWIZKQDBWSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125469
CCCOc1c(ccc(c1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC	SCHEMBL15015502,PC-id_89617375	403.449	BCMIVIMTMCPZAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125470
CCOc1c(ccc(c1)C(CC(=O)OCC)N1C(=O)c2cscc2C1=O)OC	PC-id_89617341,SCHEMBL15015460	403.449	DRFMRQPMMRGUHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125471
CCOc1c(cc(cc1)C(CC(=O)OCC)N1C(=O)c2cscc2C1=O)OC	SCHEMBL15015493,PC-id_89617368	403.449	IHDHSLWPRKLCOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125472
CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(OC)c2)sc2c1CCC2	PC-id_7702830,EMOLS-id_11865870,CoCoCo_2913457,ZINC22_5470313,MCULE-6558227245	403.449	WNZDYBRSGXCIBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125473
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)cc2)sc2c1CCC2	EMOLS-id_11867345,ZINC22_3391931,MCULE-2942952679,CoCoCo_3044949,PC-id_2510187	403.449	NDHKFMXKZNGNDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125474
CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(C)o2)sc2c1CCC2	CoCoCo_3089569,ZINC22_12528906,PC-id_5637194	403.449	HUXGOVBSXANQMG-MDZDMXLPSA-N	00000010101000000000000010000000000000000000000000000000	25-01-125475
CCOC(=O)c1c(NC(=O)COC(=O)/C=Cc2ccc(o2)C)sc2c1CCC2	CoCoCo_3089570	403.449	HUXGOVBSXANQMG-KTKRTIGZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-125476
CCOC(=O)c1c(NC(=O)COC(=O)C=Cc2ccc(o2)C)sc2c1CCC2	MCULE-6719100793,PC-id_5033874,EMOLS-id_43777906	403.449	HUXGOVBSXANQMG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-125477
CCOC(=O)Oc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327783619,MCULE-9684185918	403.449	KSAJGYJTRALKCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125478
COC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_331827,ZINC22_790574,PC-id_1078072	403.449	JTJLCSGLTAVADU-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125479
COC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1[C@H](C(=O)OC)CC2	ZINC22_1747481,PC-id_1554831,CoCoCo_331828	403.449	JTJLCSGLTAVADU-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125480
COC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1[C@H](C(=O)OC)CC2	PC-id_7081683,CoCoCo_187538,ZINC22_4038584	403.449	ALJFCPFADIJEMB-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125481
COC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_7081684,CoCoCo_187537,ZINC22_4038581	403.449	ALJFCPFADIJEMB-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125482
COC(=O)c1c(NC(=O)COC(=O)Cc2ccc(OC)cc2)sc2c1CCC2	MCULE-6939741066,CoCoCo_2916153,PC-id_2371372,EMOLS-id_43721780,ZINC22_3254661	403.449	JUXUYMXDAVBWQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125483
[O-][N+](=O)OCCCCOC(=O)C1CCc2c1sc(c2C(=O)c1ccccc1)C	PC-id_142631171	403.449	HYPBVNKEKTYPOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125484
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_7667232	403.449	CERCKKFTRJXTLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125485
s1c2c(CCC2)c(c1NC(=O)COc1c(cccc1)C(=O)OC)C(=O)OCC	PC-id_7763957	403.449	HLMGBAJBQBXFEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125486
s1c2c(CCC2)c(c1NC(=O)COc1cc(ccc1)C(=O)OC)C(=O)OCC	PC-id_8172590	403.449	MYXDVPKQLZOKKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125487
s1c2c(CCC2)c(c1NC(=O)COc1c(cc(OC)cc1)C=O)C(=O)OCC	PC-id_8633727	403.449	UMDUKWNTNYHJPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125488
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C=O)C(=O)OCC	PC-id_16545507	403.449	CKKHCPLVJULVCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125489
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)ccc(c1)C=O)C(=O)OCC	PC-id_7612016	403.449	JFEWJKGMKQBKDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125490
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)CO)C(=O)OCC	PC-id_2636692	403.449	NOUKCKPIIHCWGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125491
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCC)cc1)C(=O)OC	PC-id_16523811	403.449	PDWPXQJLLJMOFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125492
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cccc1)C(=O)OCC	PC-id_7811067	403.449	VSQSDMAINRDCOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125493
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OCC)cccc1)C(=O)OC	PC-id_16523848	403.449	PHAZCKBPANOXFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125494
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(O)cc1)C(=O)OCC	PC-id_8671914	403.449	LJSMPQOGEXBUMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125495
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](O)c1ccccc1)C(=O)OCC	PC-id_7821215	403.449	MZHVJDFDRSKNBI-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125496
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](O)c1ccccc1)C(=O)OCC	PC-id_7821217	403.449	MZHVJDFDRSKNBI-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125497
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(cccc1)C)C(=O)OC	PC-id_35687146	403.449	LHESSZSWPUIBHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125498
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(ccc1)C)C(=O)OC	PC-id_41466384	403.449	XSXDXFDMJFTEMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125499
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccccc1)C(=O)OCC	PC-id_3459246	403.449	JFRVVBJUHWVUEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125500
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(O)c1ccccc1)C(=O)OCC	PC-id_78548083	403.449	MZHVJDFDRSKNBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125501
O=CNc1c(OC[C@H](NC(=O)c2nn3c(n2)CCC3C(C)C)C)cc(cc1F)C	SCHEMBL19659242	403.451	GUDJWQBHOSXJDW-AFYYWNPRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125502
c1(cc(ccc1N(C)C)C(=O)Nc1sc2CCCc2c1C(=O)OCC)N(=O)=O	EMOLS-id_327998838,MCULE-4043345268	403.452	APEYVCYVVAODGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125503
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386194,MCULE-2484378324	403.452	VCRDYQAWUHRLEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125504
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3560697722,EMOLS-id_334389524	403.452	KOUWYBPFZVEFQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125505
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7370085714,EMOLS-id_334386202	403.452	AQCNWRHUDWPTHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125506
c1(NC(=O)NN=Cc2cccc(OC)c2O)sc2c(CCC2)c1C(=O)OCC	MCULE-6871153235,PC-id_135604115	403.452	WZMBUBFBRXDHPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125507
c1(NC(=O)NN=Cc2ccc(c(OC)c2)O)sc2c(CCC2)c1C(=O)OCC	MCULE-8607298302,PC-id_135604114	403.452	AIEAYPBRYICOQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125508
c1(sc2c(CCC2)c1C(=O)N)NC(=O)C(=O)NCc1cc(OC)c(OC)cc1	MCULE-3253302511,ZINC22_28286463,CoCoCo_6463169,PC-id_35572180,EMOLS-id_32191985	403.452	JOAPQLDRTOMLJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125509
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1C	MCULE-3808778743,EMOLS-id_3312819,CoCoCo_2810951,ZINC22_3433961,PC-id_2553636	403.452	JUXMJQMGAJKUMH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125510
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(nc1)OC1COCC1	PC-id_92083213	403.452	VXLCUBJXJYLFQE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-125511
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccnc(c1)OC1COCC1	PC-id_92083689	403.452	NPZDLIFHAUAFST-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-125512
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2NCCO)sc2c1CCC2	ZINC22_5278276,PC-id_7602567,EMOLS-id_43703757,MCULE-2763259692	403.452	UDEMADGIYFTOAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125513
O=CCN(C(CCOc1ccccc1OC)C)CC(p1cc2c(c1)CCO2)C	PC-id_142121494	403.452	VFAYLURIBFHLLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125514
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OCC(=O)N)c(OC)c1	PC-id_84845820	403.452	OGYFNZKNHFJFSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125515
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1n(cc(c1)C(=O)C)C)C)C(=O)N	PC-id_9526085	403.452	BEAFNSDSZUWSHO-JTQLQIEISA-N	00000010110000000000000010000000000000000000000000000000	25-01-125516
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1n(cc(c1)C(=O)C)C)C)C(=O)N	PC-id_9526087	403.452	BEAFNSDSZUWSHO-SNVBAGLBSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125517
s1c2c(CCC2)c(c1NC(=O)CNc1c(ccc([N+](=O)[O-])c1)C)C(=O)OCC	PC-id_9081856	403.452	GTNKCPNTYSRODT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125518
s1c2c(CCC2)c(c1NC(=O)CNc1c(c([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_9102520	403.452	LUTNHHLEBUGZAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125519
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1n(cc(c1)C(=O)C)C)C)C(=O)N	PC-id_24520624	403.452	BEAFNSDSZUWSHO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125520
s1c2c(CCC2)c(c1NC(=O)NN/C=C/1C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_19168804	403.452	XWTAYHYZPZHIFP-KHPPLWFESA-N	00000010100011000000000010000000000000000000000000000000	25-01-125521
s1c2c(CCC2)c(c1NC(=O)NNC=C1C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_73549955	403.452	XWTAYHYZPZHIFP-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-125522
s1c2c(CCC2)c(c1NC(=O)NN/C=C/1C(=O)C(=CC=C1)OC)C(=O)OCC	PC-id_19168805	403.452	RDHLGDJBMRIGHN-KHPPLWFESA-N	00000010100011000000000010000000000000000000000000000000	25-01-125523
s1c2c(CCC2)c(c1NC(=O)NNC=C1C(=O)C(=CC=C1)OC)C(=O)OCC	PC-id_73549956	403.452	RDHLGDJBMRIGHN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-125524
CC(=O)Oc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	ZINC22_4318630,EMOLS-id_45966211	403.454	TYOQAGHLVZTIHD-VIVFWABWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125525
CC(=O)Oc1cccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_45964839,ZINC22_4318629	403.454	NFCITMCMAAGFCT-SOXNPBTNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125526
n12nc(nc1sc(=Cc1ccc(cc1)C(=O)OC)c2=O)C=Cc1ccc(cc1)C	MCULE-4238483603	403.454	OLPQIDGXGLJUPU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125527
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)C	MCULE-4027191200	403.454	NFCITMCMAAGFCT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125528
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)C=Cc1ccc(cc1)C	MCULE-6588481032	403.454	TYOQAGHLVZTIHD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125529
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1sc(nn1)C	PC-id_16947300	403.454	AIZDFHOPHPLQFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125530
C1Cn2c(ccn2)N1CC1CC(CN1C(=O)OCc1ccc(cc1)[N+](=O)[O-])S	PC-id_88522043	403.455	SHSZAPPIJRPNBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125531
C1CN(n2c1ncc2)CC1CC(CN1C(=O)OCc1ccc(cc1)[N+](=O)[O-])S	PC-id_88466672	403.455	XIUGTMXZSNKTTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125532
c1(NC(=O)COc2nonc2CC(=O)NCCCC)sc2CCCc2c1C#N	EMOLS-id_333681247,MCULE-2758797026	403.455	XOARBQIZLDRNTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125533
c1(NC(=O)COc2nonc2CC(=O)N(CC)CC)sc2CCCc2c1C#N	EMOLS-id_333691688,MCULE-7115600849	403.455	SVOXDQJRRSLPGV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125534
c1(NC(=O)COc2nonc2CC(=O)NCC(C)C)sc2CCCc2c1C#N	MCULE-1126200928,EMOLS-id_333680735	403.455	CFQNQSMHONKVQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125535
c1(NC(=O)COc2nonc2C(=O)N(C)CCCC)sc2CCCc2c1C#N	EMOLS-id_333664202,MCULE-8649059937	403.455	IMJTXLMEEGZASX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125536
c1(NC(=O)COc2nonc2C(=O)NCCCCC)sc2CCCc2c1C#N	EMOLS-id_333716284,MCULE-7999705876	403.455	NCWOCMGXJWNFAB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125537
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(nn1)N1CCOCC1	PC-id_121028276	403.455	SIKUABGQYPOUPJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-125538
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ncnc(c1)N1CCOCC1	PC-id_92104957	403.455	QVOJPXUEHYYTCF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-125539
S1Cc2c(nn(c2NC(=O)c2c(c([N+](=O)[O-])ccc2)C)CC(=O)NCCC)C1	PC-id_44052898	403.455	OAJSFUGIXGXGHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125540
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])c(cc2)C)CC(=O)NCCC)C1	PC-id_44052899	403.455	XBFTWMGZQSWFSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125541
S1Cc2c(nn(c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCCC)C1	PC-id_44052917	403.455	MNZZJENCBVRHKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125542
S[C@H]1C[C@H](N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])CN1CCc2n1ccn2	SCHEMBL9461171	403.455	XIUGTMXZSNKTTI-HOTGVXAUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125543
S[C@H]1C[C@H](N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])CN1CCn2c1ccn2	SCHEMBL9828776	403.455	SHSZAPPIJRPNBH-HOTGVXAUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125544
s1c2c(CCC2)c(c1Nc1nc(N2CCCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127511	403.459	BWKDPGCWHZOQIL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-125545
s1c2c(CCC2)c(c1Nc1nc(NC2CCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127510	403.459	AOTGWZSJORRQSQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-125546
CCOC(=O)c1c(NC(=O)CC(C)C(=O)c2cccc(F)c2)sc2CCCc12	EMOLS-id_327950518,MCULE-1850450692	403.467	KWMANGHGMAJWJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125547
Fc1ccc(cc1)C(=O)N1CCc2sc(cc12)C(=O)NCCN1CCOCC1	PC-id_97524488,EMOLS-id_44378942,ZINC22_96264549	403.47	ORSADZBFIRWVON-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125548
Fc1cccc(c1)CS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109629	403.47	CAQMFTHAEAPFOY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125549
Fc1ccc(cc1)CS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109630	403.47	FRZVOVPWSWYDAV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125550
Fc1ccccc1CS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109651	403.47	YEBRJRKXIGYAFD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125551
Fc1ccc(c(c1)C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109668	403.47	IDYQWHPVNZGQHK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125552
s1c2c(CCC2)c(c1NC(=O)CN1CC(OCC1)c1ccc(F)cc1)C(=O)N	PC-id_55565169	403.47	JVCQPYIMCYHEGN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125553
CCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=C)C1(F)CCNCC1)F	PC-id_143732550	403.472	GGGHAWXTGNSHPS-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-125554
CCCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960067	403.472	KTMMXFYLHMWHAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125555
CCOC(=O)c1ccccc1OCCNCCCCn1c(c2CCCn2c1=O)O	PC-id_90758513	403.472	PTLNOSDSSHURTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125556
c1(NC(=O)CNC(=O)N2CCN(CC2)c2ccc(cc2)F)sc2c(CCC2)n1	EMOLS-id_36513889,ZINC22_71285877,STOCK7S-22410,MCULE-3350915504,PC-id_56762293,EMOLS-id_46564922	403.474	MYGGPJGWQXZSLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125557
CCc1nn2C(=O)C(Sc2n1)[C@@H](c1ccccc1F)N1CCC(CC1)C(=O)N	PC-id_134715961	403.474	BYBBHEKZESFHFM-AAFJCEBUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125558
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)NC2(C)C	PC-id_67816795,SCHEMBL9285645	403.474	CRRIEUBIAKJXQA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125559
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)C(=O)c1ccco1	EMOLS-id_328342675,MCULE-1809599787	403.474	NXLXPHMJIJWMNT-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-125560
c1(C(=O)NC2Cc3n(ncc3C(=O)NCCOC)C2)cc(n(CCOC)c1C)C	MCULE-4665975496	403.475	FOUKZEJAMUPIFL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-125561
c1(C(=O)NC2Cc3n(nc(C(=O)NCCOC)c3)C2)cc(n(CCOC)c1C)C	MCULE-2370596947	403.475	SIJVHBCJYFCFGM-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-125562
c1(C(=O)N[C@H]2Cc3n(ncc3C(=O)NCCOC)C2)cc(n(CCOC)c1C)C	EMOLS-id_316323636,MCULE-2069241217	403.475	FOUKZEJAMUPIFL-HNNXBMFYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-125563
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NCCOC)c3)C2)cc(n(CCOC)c1C)C	EMOLS-id_316332858,MCULE-9402740443	403.475	SIJVHBCJYFCFGM-HNNXBMFYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-125564
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NCC#C)ccc1	PC-id_27684926	403.475	RCEVJBVYLGEVIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125565
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)c1occc1)C(=O)N	PC-id_7993737	403.475	NOBQRNKPWXNWKD-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-125566
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)NCc2occc2)cc1	PC-id_33040800	403.475	DWPICIFMYARJBO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125567
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)NCCc3ccccc3)C2)n1	MCULE-7508687937,EMOLS-id_316332848	403.477	KLSNBEJDNYQEEH-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-125568
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)NCCc3ccccc3)C2)n1	MCULE-9819763957	403.477	KLSNBEJDNYQEEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125569
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)NCCc3ccccc3)Cc12	EMOLS-id_316318011,MCULE-7455111157	403.477	VRXSULOWEOZYPC-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-125570
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)NCCc3ccccc3)Cc12	MCULE-4494255248	403.477	VRXSULOWEOZYPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125571
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CCCc3ccccc3)Cc12	EMOLS-id_316322609,MCULE-6727303032	403.477	GMSMZBIXTCIPLV-IBGZPJMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-125572
c1(C(=O)NCc2cccnc2)cnn2CC(NC(=O)CCCc3ccccc3)Cc12	MCULE-6244563515	403.477	GMSMZBIXTCIPLV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125573
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)C(=O)c1cccnc1C	PC-id_10135799,SCHEMBL2919145	403.477	MQYDXXDRSMTDQG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125574
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C)Cc1cccnc1	PC-id_10158025,SCHEMBL2916776	403.477	UREYBYGEHCUFOS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125575
Cn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccco1	MCULE-7069672457,PC-id_3298071,CoCoCo_6620691,EMOLS-id_4082126,TIMTEC128154,ZINC22_5862711	403.479	DOQLLUMFPFNIKZ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-125576
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccsc1)C(=O)OCC	PC-id_9128106	403.479	QWQLNYRUWSYQEU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-125577
s1c2c(CCC2)c(c1NC(=O)CSc1n(Cc2occc2)cnn1)C(=O)N	PC-id_18132823	403.479	QVMOJNUZWRSRND-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-125578
Cc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1	PC-id_68668830,SCHEMBL3504795	403.48	SAUIVDWBYBYEAD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-125579
Cc1nccc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1	PC-id_59474159,BindingDB_PC-id_59474159,SCHEMBL1942754,BindingDB-id_218929	403.48	SAUIVDWBYBYEAD-DOTOQJQBSA-N	00100010100000110001100010000000000000000000000000000000	25-01-125580
c1(c2CCCc2sc1NC(=O)Cc1ccc(c(OC)c1)OC)C(=O)OC(C)C	PC-id_1758568,ZINC22_2103346,CoCoCo_6618798,EMOLS-id_4082172,MCULE-7655587062,TIMTEC48933	403.492	AMWYHUGRJWAHFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125581
c1(NC(=O)Cc2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)OC	CoCoCo_1966229,PC-id_1046228,ZINC22_720593,MCULE-7521687714,EMOLS-id_6783391	403.492	SYZLWNGLXYPBJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125582
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)OC	MCULE-8166158626,PC-id_19221787	403.492	QMYHEYRPYFWVOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125583
c1(NC(=O)CCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-1219881999,PC-id_19220667	403.492	OMIJLELCBSATIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125584
c1(NC(=O)CCCOc2ccccc2OC)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL7809433,EMOLS-id_2471450,MCULE-2043451134,PC-id_1631622,SPECS-id_AS-871/42392344,CoCoCo_997037,ZINC22_1893007	403.492	NBXZFWAWJQHEKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125585
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1871900,PC-id_1568892,ZINC22_1778236,SPECS-id_AS-871/41027965,CoCoCo_5881198,MCULE-1602478013	403.492	RULUQIPPGGSIAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125586
CCOC1=Cc2c(C1)c(cn2S(=O)(=O)c1ccc(cc1)C)C(=O)OC(C)(C)C	PC-id_58713639,SCHEMBL15444916	403.492	PGXDULGMFHGTQF-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-125587
COc1ccc(cc1)CSC1(Cc2c(C1)cn(c2)C(=O)OC(C)(C)C)C(=O)O	SCHEMBL7816648,PC-id_15814439	403.492	BNUIOHXSDLCVCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125588
Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328337050,MCULE-6305589447	403.492	MMDLJRQEQJZRPX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125589
Fc1ccccc1N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-4473562026,EMOLS-id_328338591	403.492	PYYHSYDYRMWNMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125590
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(CCCC(=O)OC)c(c1)C)C	PC-id_7623911	403.492	AXHKXEPTRYZTLE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125591
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCOCC)cc1)C(=O)OCC	PC-id_17112588	403.492	FHNUCPHETVJGLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125592
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCOCC)ccc1)C(=O)OCC	PC-id_17139564	403.492	IOWDZFGGYRTFRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125593
s1c2c(CCC2)c(c1NC(=O)c1c(OCCOCC)cccc1)C(=O)OCC	PC-id_17122704	403.492	DGZTZZYQZJRIKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125594
COC(=O)c1c(NC(=O)/C(=C/c2ccccc2)/c2ccccc2)sc2c1CCC2	ZINC22_408564322	403.493	VTQWIDLOTWTSOJ-XDJHFCHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125595
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc(F)cc1)C(=O)N	PC-id_8704236	403.494	SFBDNFPWGRZLCB-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-125596
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(F)cccc1)C(=O)N	PC-id_40624786	403.494	LNXRCAQCGZPLRE-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-125597
c1(oc(C)cc(=O)c1O)C1(CCCCC1)CC(=O)NCc1cn2c(SCC2)n1	ZINC22_1857526873,STOCK7S-75925,PC-id_146048994,EMOLS-id_324023683,MCULE-2288024098	403.495	FITMNBDRWSMWMT-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-125598
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1onc(n1)CC	PC-id_55539198	403.495	RMRWSPSSNOZKJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125599
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCCC#N	PC-id_41732931	403.495	TUDWYXPSTFUOMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-125600
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(n(c(c1)C)CC)C)C)C(=O)N	PC-id_8993848	403.495	PAULINZMFARJJW-LBPRGKRZSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125601
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(n(c(c1)C)CC)C)C)C(=O)N	PC-id_8993853	403.495	PAULINZMFARJJW-GFCCVEGCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125602
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1occc1)C(=O)OC	PC-id_22195988	403.495	BPQPGCQMWJWOPZ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-125603
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(OC)c(OC)cc1)C)C(=O)N	PC-id_9100749	403.495	DVEARKRZBHVHMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125604
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(OC)cc(OC)cc1)C)C(=O)N	PC-id_9101753	403.495	YSMAXJRNFZOBJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125605
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(OC)c(OC)ccc1)C)C(=O)N	PC-id_9196749	403.495	ABTPLDXEJBTYSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125606
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(n(c(c1)C)CC)C)C)C(=O)N	PC-id_84895336	403.495	PAULINZMFARJJW-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125607
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(C(C)C)c(c1)C)C)C(=O)N	PC-id_8384680	403.495	IRXWZBCUSZXNJT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125608
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N(CC)CC	PC-id_16947967	403.495	XXANHQIQNHWDHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125609
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCC(C)C	PC-id_16947995	403.495	BPPUHDSHJUMQJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125610
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC(CC)C	PC-id_16947996	403.495	LMULPMXIWCOSRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125611
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-5351676949,PC-id_73468643	403.497	URACPQDJOQYURG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-125612
CCCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_45970124,ZINC22_16779410	403.497	MUUJREHQZGYKHV-RDWOUUGISA-N	00000000100000110001000010000000000000000000000000000000	25-01-125613
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_45970106,ZINC22_27021553	403.497	WSCSPORMEQDRIJ-LCKBGRROSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125614
CCCCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_16807415	403.497	WSCSPORMEQDRIJ-LNNYTJQRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125615
CCCCOc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_45964941,ZINC22_16735831	403.497	SIOGMBPEXIKMFU-OLVUBZDSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125616
CCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O	EMOLS-id_45970704,ZINC22_27022693	403.497	LZIIUXDPZXFEER-WMHIFLFESA-N	00000000100000110001000010000000000000000000000000000000	25-01-125617
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	ZINC22_27022752,EMOLS-id_45970716	403.497	UVBDFVKPLFRFEU-RATQINRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-125618
CCCOc1cccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324920321	403.497	SPODDNAPBNMJRS-MMFIDHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125619
CC(C)Oc1cccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324921345	403.497	FVPYOPRSNQSBEF-IICJTNPGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125620
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)cc1	EMOLS-id_45970358,ZINC22_27022234	403.497	CMPHVECXILCWBB-OILIPECNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125621
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-6420781110	403.497	CMPHVECXILCWBB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125622
n12nc(nc1sc(=Cc1ccc(cc1)OCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-1299709092	403.497	UVBDFVKPLFRFEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125623
n12nc(nc1sc(=Cc1ccccc1OCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-9853404750	403.497	LZIIUXDPZXFEER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125624
n12nc(nc1sc(=Cc1ccc(cc1)OCCCC)c2=O)C=Cc1ccccc1	MCULE-1430672818	403.497	WSCSPORMEQDRIJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125625
n12nc(nc1sc(=Cc1ccccc1OCCCC)c2=O)C=Cc1ccccc1	MCULE-3304346886	403.497	MUUJREHQZGYKHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125626
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-5451802481	403.497	FVPYOPRSNQSBEF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125627
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-7115880693	403.497	SPODDNAPBNMJRS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125628
n12nc(nc1sc(=Cc1cccc(OCCCC)c1)c2=O)C=Cc1ccccc1	MCULE-9290475373	403.497	SIOGMBPEXIKMFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125629
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)NCc1cccnc1	PC-id_18883976	403.497	URACPQDJOQYURG-VAWYXSNFSA-N	00000010100000111000000010000000000000000000000000000000	25-01-125630
Cc1cc(CN2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)no1	CoCoCo_4131372,ZINC22_22786902,EMOLS-id_11777181,MCULE-7376074960,PC-id_9450946,CoCoCo_4131373	403.498	KTXVPEOTVHKCKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125631
CC(n1cnc(c1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109660	403.498	RLQCNWQPAFKDNF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-125632
Cn1nc(c(c1C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109645	403.498	MCYORNXIANWKLQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-125633
s1c2c(CCC2)c(c1NC(=O)CN1CCC(n2ncnc2)CC1)C(=O)OCC	PC-id_56333282	403.498	NWMTUDAZOUWKIU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-125634
S(CC(=O)NC1CCCCC1)c1n(NC(=O)c2nn(c3CCCc23)C)cnn1	PC-id_84467195	403.502	NWKIJMUBARYIPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125635
S(=O)(OC)NCCN(c1cc(c(/N=C/c3n(N=C2C)c(nn3)C)cc1)C)CC	PC-id_20701609	403.502	HWGJKASWPCXDRK-LVZFUZTISA-N	00000011100000110001000010000000000000000000000000000000	25-01-125636
S(=O)(OC)NCCN(c1cc(c(/N=C/c3n(N=C2C)nc(n3)C)cc1)C)CC	PC-id_20701608	403.502	UVMPHNHMFIIJSH-HEHNFIMWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-125637
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#CCCCc1ccccc1)C(=O)O	SCHEMBL13786746,PC-id_57791604	403.515	BZKACSOUSZWPHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125638
s1c2c(c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_74533908	403.515	OLISTOKEPCXXGI-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-125639
s1c2c(c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_27522692	403.515	OLISTOKEPCXXGI-UONOGXRCSA-M	00000010100010000000000010000000000000000000000000000000	25-01-125640
s1c2c(c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_27522694	403.515	OLISTOKEPCXXGI-KBPBESRZSA-M	00000010100010000000000010000000000000000000000000000000	25-01-125641
s1c2c(c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_27522696	403.515	OLISTOKEPCXXGI-ZIAGYGMSSA-M	00000010100010000000000010000000000000000000000000000000	25-01-125642
s1c2c(c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_27522698	403.515	OLISTOKEPCXXGI-KGLIPLIRSA-M	00000010100010000000000010000000000000000000000000000000	25-01-125643
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(OC)cc1)C)C(=O)OCC	PC-id_8778325	403.515	KFIKJZCSKZVFLP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125644
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(OC)ccc1)C)C(=O)OCC	PC-id_2698249	403.515	XDLZDJDMGCMNEB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125645
CN(C)C(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(O)cc1	MCULE-3978179339,EMOLS-id_328212855	403.517	YRXVTHBLPCNOSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125646
c1(NC(=O)c2cccc(c2)S(=O)(=O)N(CC)CC)sc2c(CCC2)c1C#N	BAS-00822751,ChEMBL-DNDi_CHEMBL1885-0476,MCULE-5602035667,CoCoCo_137411,PC-id_1107070,ZINC22_837287,EMOLS-id_1279590	403.518	ALZFXLALBQBWQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125647
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)sc2c(CCC2)c1C#N	EMOLS-id_1398759,ZINC22_944845,BAS-02782823,MCULE-6763958980,CoCoCo_261977,PC-id_1184390	403.518	IUZVGXHWKWAZOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125648
c1(NC(=S)NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCC2)c1C(=O)N	MCULE-7076808681,TIMTEC371771,ZINC22_6263063,PC-id_4504482	403.518	PAMJYUKNUKHAME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125649
c1(NC(=S)NC(=O)c2cccc(OCCC)c2)sc2c(CCC2)c1C(=O)N	SPECS-id_AM-879/J184200,MCULE-7953464781,PC-id_4504472,EMOLS-id_4082300,ZINC22_6265129,CoCoCo_6282465,SPECS-id_AP-970/41728533,TIMTEC55461	403.518	AOIQHRODVQPXBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125650
c1(NC(=S)NC(=O)c2cccc(OC(C)C)c2)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/I259618,PC-id_4504474,ZINC22_6263070,TIMTEC190613,SPECS-id_AP-970/41728535,MCULE-1968701659,SPECS-id_AM-879/J184202,EMOLS-id_4082298,CoCoCo_6317405	403.518	HGONCDFXXXLDTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125651
c1(NC(=S)NC(=O)COc2cc(cc(C)c2)C)sc2c(CCC2)c1C(=O)N	PC-id_4505404,TIMTEC354243,MCULE-5184653489,ZINC22_6825696	403.518	OGVPXZFQPSSNEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125652
c1(NC(=S)NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)N	ZINC22_6846245,MCULE-4431633746,TIMTEC68355,PC-id_4505401	403.518	BACRJXFWFHBRRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125653
Cc1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)c(C)c1	ZINC22_6843936,PC-id_4505402	403.518	XCIDXNXSUHQPFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125654
CCc1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6555773,PC-id_4505398	403.518	IKDHQFHAGZBQBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125655
C=CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(n1)CCC2)CC=C	PC-id_5159936,CoCoCo_1738183	403.518	HJEPKALNGGVGJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125656
CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6265017,PC-id_4504480	403.518	MJESRCLZHLMWNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125657
s1c2CCCc2cc1/C(=N/c1c(NS(=O)(=O)c2sccc2)cccc1)/[O-]	PC-id_2348900	403.518	LBGXSUOCMCVYMJ-UHFFFAOYSA-M	00000010100100110000000010000000000000000000000000000000	25-01-125658
s1c2CCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)c1sccc1	PC-id_46556169	403.518	LRDPCSKTQMXEKE-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-125659
s1c2CCCc2cc1C(=O)NNC(=O)CSCC(=O)Nc1cc(ccc1)C	PC-id_26872569	403.518	WIDPOQAYDGSUHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125660
s1c2CCCc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C#N	PC-id_44993083	403.518	DDOPRQXJIRAVPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125661
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1ccc(NC(=O)C)cc1)C)C(=O)N	PC-id_8948766	403.518	IOZFQDKFQNZGHT-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-125662
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1ccc(NC(=O)C)cc1)C)C(=O)N	PC-id_8948769	403.518	IOZFQDKFQNZGHT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125663
s1c2c(CCC2)c(c1NC(=O)C(Sc1ccc(NC(=O)C)cc1)C)C(=O)N	PC-id_84880447	403.518	IOZFQDKFQNZGHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125664
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(N(C)C(=O)C)cc1)C(=O)OC	PC-id_19649200	403.518	HGFNYXUNBBAQRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125665
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(NC(=O)C)cc1)C(=O)OCC	PC-id_2368953	403.518	VRWNETAEADRNHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125666
c1(CN2CCC(CC2)COc2ncnc(c3ccccc3)c2)c2CCCc2nn1C	MCULE-4858088851,ZINC22_1775970645,EMOLS-id_317496145	403.52	PEAOXCVLLOOOOQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125667
O=C(c1cc(nn1C)c1ccccc1)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109716	403.52	YXRQVPPQQWUXHC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125668
O=C(c1cnn(c1C)c1ccccc1)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109715	403.52	GJGQLXSBJCITKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125669
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)Cn1cncc1	PC-id_92109693	403.52	SKJHFXVLCSTCMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125670
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(c2ccccc2)cc1)C#N	PC-id_4955468	403.52	OITGEVURUHCTDR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-125671
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1ncccn1	TIMTEC441217,MCULE-4737081461,PC-id_17379521,EMOLS-id_4082320,ZINC22_17082727,CoCoCo_6830720	403.522	RZZGMCGWQODORX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-125672
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC=C)C(=O)N	PC-id_29336569	403.522	ICBMYXOFWDDHIW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-125673
CCOc1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110024	403.538	XNLPTTAYSDBBNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125674
CCOc1ccccc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110036	403.538	VNSNZFHEPWVTDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125675
Cn1nc(c2c1CCC2)CN(S(=O)(=O)CCOc1ccccc1)C1CCCC1	PC-id_92110071	403.538	VANVPFKKJSVLID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125676
COc1ccc(cc1C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110013	403.538	CNCFAEXKNKSRQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125677
Cc1ccc(CCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1	EMOLS-id_324903436	403.54	ZYQFGXVLIXQLTI-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125678
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCc1ccc(cc1)C	MCULE-5608715907	403.54	ZYQFGXVLIXQLTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125679
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(cc1)c1ccccc1	PC-id_44060391	403.54	COFPOJMPTTUKNR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125680
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_19687953	403.54	MMFGLTLIYXWPJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125681
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)NC(C)C)C#N	PC-id_78831081	403.542	IDIURAPBWDCBPK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125682
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC(=O)NCc1sccc1)C#N	PC-id_8906416	403.542	CVGXVAWFMLYCEP-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-125683
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1[nH+]cccc1)C(=O)OC	PC-id_51529138	403.542	XVCUOEGJZADUKA-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-125684
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccs1)N1CCOCC1	PC-id_111020351	403.545	QEYMFAZSGGQJJN-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-125685
CCOC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CCC2	ZINC22_408563047	403.558	IBEZQRMASHXAKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125686
COCCSSCCCC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL12103755,PC-id_58607902	403.558	MLPMJONIZXFCBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125687
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)OCC	PC-id_16838745	403.558	BPMCYCSQLYZOJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125688
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(cc1)C)C(=O)OCC	PC-id_41086107	403.558	SVZRVIXKNXDANZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125689
s1c2c(CCC2)c(c1NC(=O)CCCSCc1ccccc1)C(=O)OCC	PC-id_41580239	403.558	ZQUJPBMZEHSBSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125690
CC(c1nn(c2c1CCC2(C)C)CCCNC)N(C1CC1)C(=O)C1CNCCO1	PC-id_90065252	403.561	WSKXFXRPZKEDFY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-125691
CNCCCn1nc(c2c1C(C)(C)CC2)[C@H](N(C(=O)[C@@H]1OCCNC1)C1CC1)C	SCHEMBL15599878	403.561	WSKXFXRPZKEDFY-CRAIPNDOSA-N	00100010100010000001000010000000000000000000000000000000	25-01-125692
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C(=O)NCC(C)C)C#N	PC-id_40146273	403.561	DGLMWAATUQPZOZ-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-125693
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(N(CC)CC)cc1)C(=O)OC	PC-id_20414824	403.561	NOMPZHSJQIJHFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125694
c1(NC(=O)CSc2scc(c3cccs3)n2)sc2c(CCC2)c1C#N	MCULE-9761378623,EMOLS-id_324907062	403.565	KKEXLGOHSYDRJM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-125695
CCCCCC1C(Cc2c1nc(s2)NC1CC=CC=C1)CC(=O)NCCOC	SCHEMBL13950800,PC-id_89206245	403.581	DPMASBVWJXZVGA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-125696
Clc1ccc(c(c1)I)NC(=O)c1sc2c(c1)CCC2	PC-id_103766827	403.666	ICLXVNHEQIRCCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125697
Ic1ccc(c(c1)Cl)NC(=O)c1sc2c(c1)CCC2	PC-id_103614193	403.666	GXERIJGTHHYLFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125698
c1(NC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c(CCC2)c1C(=O)NC	MCULE-9455034124,EMOLS-id_334331102	403.711	FIDXRKZKSPMQBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125699
Clc1ccc(cc1)C=Cc1nn(c(=O)o1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5544983,PC-id_69481899	403.777	HSIQQNKWOCARFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125700
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c(OC)cc(c(OC)c2)Cl)n1	EMOLS-id_1359725,CoCoCo_224992,ZINC22_869829,SPECS-id_AG-690/40697738,TIMTEC584461,BAS-01939667,PC-id_1129756,TIMTEC5194,MCULE-9458067711	403.783	YXSLXLXRELRQOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125701
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)c(ccc1)C(F)(F)F	PC-id_7238985	403.803	WLRNNADZKMHGFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125702
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1nnc[nH]1)c2=O	MCULE-1626364351	403.803	PUVAESIDRNIWNG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125703
O=C(COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O)Nc1nnc[nH]1	PC-id_117588423,ZINC22_256055689	403.803	PUVAESIDRNIWNG-WCIBSUBMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125704
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(Cl)cc1C(F)(F)F	EMOLS-id_43696776,MCULE-2747288844,CoCoCo_2840961,ZINC22_6932565,PC-id_4854899	403.803	UYHORRQCSBVKCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125705
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cc(C(F)(F)F)ccc1Cl	EMOLS-id_3361641,MCULE-4464928162,CoCoCo_2840928,SCHEMBL20620005,PC-id_2560092,ZINC22_3440195	403.803	RGKYYONTRHXNGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125706
CC(C)(C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2)n1cc(Cl)cn1	TIMTEC145890,MCULE-4835688123,PC-id_19614139,ZINC22_36614357,EMOLS-id_8868296	403.83	FIJBTGZBQNSDRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125707
CCOC(=O)CSc1cc(N=c2sc(=O)n3n2CCC3)c(cc1Cl)F	SCHEMBL9551231	403.879	KEIBBPABSLTDKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125708
Clc1c(SCC(=O)OCC)cc(/N=c/2sc(=O)n3n2CCC3)c(F)c1	PC-id_67876175	403.879	KEIBBPABSLTDKK-JXAWBTAJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125709
Clc1ccc(OCc2scc(n2)CC(=O)NCc2n3CCCc3nn2)cc1	PC-id_52550858	403.886	KXIGVMXQPQVZKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125710
Clc1ccc(OCc2sc(C(=O)NCc3n4CCCc4nn3)c(n2)C)cc1	PC-id_52375810	403.886	GJVBTCMJOJQXTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125711
Clc1ccc(NC(=O)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc1	PC-id_2699228	403.906	LGMGMJAXKQNCOB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125712
Clc1c(NC(=O)c2sccc2)cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_30796766	403.906	UQHPACYTQPOEBM-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-125713
Clc1c(NC(=O)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cccc1	PC-id_2698519	403.906	NQOKJPPHVSYTNX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-125714
CN=C(NC1CCN(C1)c1cc(Cl)ccc1OC)NCc1nnc2n1CCC2	PC-id_111916895	403.909	XOGWBPWQFAPXEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125715
C1c2c(CC1)c(C(=O)OC)c(s2)NC(=O)C1(CCCC1)c1ccc(Cl)cc1	MCULE-9772276602,PC-id_38112552,SPECS-id_AN-153/J118387,MS2_ST095641,EMOLS-id_30084505,ZINC22_30952970	403.922	GHABXFGPMPHYBA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-125716
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCCCCC2)cc1	PC-id_16947337	403.926	SFAZXQFELNPFOU-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-125717
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)NC4CCCCC4)c3n2)cc1	PC-id_16947367	403.926	ZWPZYXDEZQKCBO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125718
Clc1ccc(C(=O)Nc2sc3c(n2)C(CC3)C(=O)N2CC(CCC2)C)cc1	PC-id_16947340	403.926	PPNLBUDQMBJEPE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125719
Clc1ccc(C(=O)Nc2sc3c(n2)C(CC3)C(=O)N2CCC(CC2)C)cc1	PC-id_16947341	403.926	FEAPHRYLPVYULR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125720
Clc1ccc(OCCN(CCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_24589126	403.926	BYQADJMWAKORLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125721
O=C(C1CCCCN1)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCC2	PC-id_142393495	403.926	GLTNJCGRAFPXDX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-125722
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1ccccc1Cl	ZINC22_34895960,CoCoCo_3873356,PC-id_9372127,MCULE-6891261773	403.926	QOBCUHVKQSUPOF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-125723
Clc1c(C(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCCCC2)cccc1	GD-id_ZINC04847592,PC-id_7382803	403.945	RALHGAIARVIIRF-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-125724
Clc1nc(Nc2nc3c(s2)C(CC3)(C)C)cc(c1)S(=O)c1ccccc1	SCHEMBL17413501,PC-id_118642031	403.949	ODPWPQNGRYLAHR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125725
CCN(C(c1ccccc1Cl)CNC(=NC)NCc1nnc2n1CCC2)CC	PC-id_111020395	403.952	GIJNXUFHRYKHTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125726
c1(NC(=O)C2(CCCC2)c2ccc(cc2)Cl)c2CSCc2nn1C(C)(C)C	MCULE-4815625225,EMOLS-id_5438631,ZINC22_4088678,PC-id_4340096,CoCoCo_4982357	403.969	YCVCWGDFLVRLKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125727
[B]C1=C2CC(CC2=C(S1)I)(C(=O)OCC)C(=O)OCC	PC-id_163595163	403.975	UJQGURKMHUKUFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-125728
CC(C1=CN=CN1)NC(=O)[C@]2(CC3=C(S2(=O)=O)SC(=C3)S(=O)(=O)N)C	PC-id_149431631	404.028	UWKMTFWJXCWWGA-URRWNQLISA-N	00000010100000000001000010000000000000000000000000000000	25-01-125729
CC1=C(SC(=N1)Cl)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872076	404.038	IUYLTDPTBLLQJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125730
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=NN(C=N3)CC(F)F	PC-id_164931980	404.108	OTSNYKPQHDVRDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125731
C1(C)(C(=O)Nc2sc3c(CCC3)c2C#N)CC1(Br)Br	MCULE-2461460533,EMOLS-id_4082611,PC-id_17374708,TIMTEC247907	404.12	JSJJTDVNZIXJEF-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-125732
C[C@]1(C(=O)Nc2sc3c(c2C#N)CCC3)CC1(Br)Br	CoCoCo_6818538,PC-id_27522620,ZINC22_17082794	404.12	JSJJTDVNZIXJEF-GFCCVEGCSA-N	00100010100000000000000010000000000000000000000000000000	25-01-125733
C[C@@]1(C(=O)Nc2sc3c(c2C#N)CCC3)CC1(Br)Br	PC-id_27522619,ZINC22_17082793,CoCoCo_6818537	404.12	JSJJTDVNZIXJEF-LBPRGKRZSA-N	00100010100000000000000010000000000000000000000000000000	25-01-125734
CC1=NC=C(N1C2=CC=CC=N2)C(=O)NC(CC3=CNC4=CCC=C43)C(=O)C(=O)N	PC-id_161035009	404.16	UADDTMJGCBJGEZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-125735
c12CN(Cc1nn(CC(F)(F)F)c2Br)C(=O)OCc1ccccc1	MCULE-2452305311,EMOLS-id_324337775	404.182	CHCPFVIRNFUMAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125736
C1CC2=CSC(=C2C1)CNCCC3(CCOCCOCC3)C4=NC=C(C=C4)F	PC-id_155054280	404.193	ONRHRGYGUYTWDJ-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-125737
COc1cc(F)c(Cn2nc3CCC(C)c3c2I)c(F)c1	EMOLS-id_330963381,MCULE-2447735285	404.194	GYODPIPYACHRLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125738
COc1cc(F)c(Cn2nc(I)c3C(C)CCc23)c(F)c1	MCULE-8973287304,EMOLS-id_330979321	404.194	QEBADILUGMTPMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125739
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1I)F	PC-id_104289038	404.199	CKHCQVXEPLUGII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125740
IC1CN(CC2CC(c3c2n(nc3)C)CO)C(=O)NC1=O	PC-id_73202748	404.204	QGFZTTKEHCSDCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125741
C/C=CC1=C(C(n2c1cnc2)CC(=O)c1ccccc1N=C(N)OC(C)(C)C)C=C	PC-id_163622752	404.221	HPNDZALHPZJIOE-POHAHGRESA-N	00000011100000110001000010000000000000000000000000000000	25-01-125742
CC(C)(C)[Si](C)(C)C([C@@H]1CCC2=NN(C=[N+]12)C)(C3=CC=CC=C3)C4=CC=CC=C4	PC-id_160989299	404.252	AAEPDKRTGAPLFT-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125743
Brc1ccc(o1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109416	404.258	WPFJJHRVJWJHJV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-125744
C1CSc2nc(cn12)C(C1(C2N(C1=O)C(=CS2)C(=O)O)Br)O	PC-id_90734605	404.26	ZUQFFPCRSGSWMC-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-125745
Brc1ccc(N2CC(CC2=O)C(=O)NCc2n3CCCc3nn2)cc1	EMOLS-id_24136190,PC-id_42889104,MCULE-4595935345	404.261	AVQGWEPTKPPLQK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125746
Brc1cc(N2CC(CC2=O)C(=O)NCc2n3CCCc3nn2)ccc1	EMOLS-id_24073136,PC-id_42890854,MCULE-4100508038	404.261	HTQZIUBSNAHDDP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125747
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)c1cncc(Br)c1	EMOLS-id_207863019,MCULE-4197363958	404.261	FIOAJIMUMPWIAE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-125748
O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	ZINC22_13018619,PC-id_25674352,CoCoCo_4658175	404.261	AVQGWEPTKPPLQK-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-125749
O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	ZINC22_13018621,CoCoCo_4658174,PC-id_25674353	404.261	AVQGWEPTKPPLQK-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125750
O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1	CoCoCo_4775907,PC-id_31821509,ZINC22_24444555	404.261	HTQZIUBSNAHDDP-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125751
O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(c2cccc(Br)c2)C1	ZINC22_24444552,PC-id_31821507,CoCoCo_4775908	404.261	HTQZIUBSNAHDDP-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-125752
c1(NC(=O)c2cc(on2)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_21980169,ZINC22_20436531,TIMTEC252884,PC-id_17253134,MCULE-7520323535	404.27	JXULIJNMTKGIDO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125753
c1(NC(=O)c2noc(c3ccc(cc3Cl)Cl)c2)sc2c(CCC2)c1C#N	EMOLS-id_1513659,PC-id_1093849,TIMTEC577171,ZINC22_815151,BAS-09530079,CoCoCo_380885,MCULE-3364404875	404.27	YPNKKZNKMMCAJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125754
Clc1ccccc1OCc1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324885509	404.27	RPSXAINRLHHYID-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125755
Clc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324884483	404.27	BBQFVTBWVDXURZ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125756
Clc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1Cl	EMOLS-id_324843763	404.27	BCPTZZGOORDRLR-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125757
Clc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c(Cl)c1	EMOLS-id_324845298	404.27	RNWNDLQCSGSDDS-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125758
Clc1cccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)c1Cl	EMOLS-id_324842740	404.27	OPQIOOAOVCIDKP-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125759
Clc1ccc(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324843770	404.27	KKTSDYVGRCMJEY-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125760
Clc1ccc(OCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324846833	404.27	JWFRBVLLOCNZEC-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125761
Clc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_324842744	404.27	BQDXDJZGSRDMOX-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125762
n12nc(nc1sc(=Cc1ccccc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-7166987988	404.27	JWFRBVLLOCNZEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125763
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1ccccc1Cl	MCULE-7856028070	404.27	RPSXAINRLHHYID-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125764
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1ccc(Cl)cc1	MCULE-6754024192	404.27	KKTSDYVGRCMJEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125765
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1ccccc1	MCULE-5646338007	404.27	OPQIOOAOVCIDKP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125766
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1ccccc1Cl	MCULE-4850447245	404.27	BBQFVTBWVDXURZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125767
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1ccc(Cl)cc1	MCULE-6924024296	404.27	BQDXDJZGSRDMOX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125768
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1ccccc1	MCULE-5722637347	404.27	RNWNDLQCSGSDDS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125769
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1ccccc1	MCULE-5007785291	404.27	BCPTZZGOORDRLR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125770
Brc1sc2CN(C(CCC(=O)OCC)C(=O)OCC)C(=O)c2c1	PC-id_85225960	404.276	HWLWHXCFLJALLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-125771
Brc1sc2CN([C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)c2c1	PC-id_10668912	404.276	HWLWHXCFLJALLX-JTQLQIEISA-N	00000010100000000000000010000000000000000000000000000000	25-01-125772
Brc1cc(n2nnc(c2C)C(=O)Nc2sc3CCCc3n2)ccc1	PC-id_52378558	404.284	RDYUKRIPQKRRSJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125773
Clc1ccc(c(c1)Cl)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109366	404.29	LLTSEIQRBXPFJG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125774
Clc1ccc(c(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cl	PC-id_92109367	404.29	VXFITSZXBWELQF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-125775
Brc1c2n(CCC2C(=O)OC)c(c1CCCC)C(=O)c1ccccc1	PC-id_20405085,SCHEMBL11005544	404.298	WIATWEXWONZGCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125776
Brc1c2CN(Cc2nn1CC1CCCC1)C(=O)OCc1ccccc1	MCULE-9779076588,EMOLS-id_324340590	404.301	YMHJCJZLFZUWRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125777
Brc1ccccc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324832510	404.304	VTYHBRBMJSDJDW-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-125778
Brc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324829436	404.304	NAZOLIYCPSFUEE-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-125779
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)Cc1cccs1	MCULE-9517268910	404.304	NAZOLIYCPSFUEE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-125780
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)Cc1cccs1	MCULE-7369486429	404.304	VTYHBRBMJSDJDW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-125781
Brc1ccc(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_2698754	404.324	DGSPLYIDFFJLTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125782
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1Br	MCULE-1749620568,CoCoCo_3579252,EMOLS-id_19533371,CoCoCo_3579251,ZINC22_6912441,PC-id_24428032	404.324	SRHSGZKDJGNJNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125783
FC(c1cc(C(F)(F)F)cc(C(=O)Nc2c(C#N)c3c(CCC3)s2)c1)(F)F	EMOLS-id_44513109,MCULE-9528458870,PC-id_71904476	404.33	BXCOLSOLRJGDMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125784
OCN1CSc2n1c(CN1CC(=O)[C@@H](C1)CC(F)(F)F)c(n2)C(F)(F)F	SCHEMBL17350674,PC-id_118588617	404.331	UGLAWSGHVFVOKA-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125785
Cc1ccc(cc1)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O	PC-id_135465319	404.342	PYOCCGVFZDBKDC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-125786
Cc1ccc(C(=O)C(C2=Nc3nnc(N)n3C2=O)C2=Nc3nnc(N)n3C2=O)cc1	CoCoCo_5696225,ZINC22_8653216,PC-id_367036,NSC636364	404.342	SLQIUUWURMGOIQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-125787
Fc1cccnc1C(c1ccc(cc1)C(F)(F)F)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL15023607,PC-id_78018900	404.361	LPCKWNRHPGZHNN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125788
Fc1cccnc1[C@H](c1ccc(cc1)C(F)(F)F)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL14406992,PC-id_71165408	404.361	LPCKWNRHPGZHNN-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125789
N#Cc1c(NC(=O)c2ccc(cc2)n2ccc(n2)C(F)(F)F)nc2n1CCS2	PC-id_86970786	404.369	FXGMPBWBMSHQTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125790
CC1(Nc2ncc(n2O1)[N+](=O)[O-])COc1cccc(c1)N1CCN(CC1)C(=O)O	PC-id_136410749,SCHEMBL5542994	404.377	RHCVMIYEEBBMHL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125791
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CC1)O[C@H](C(F)(F)F)C	SCHEMBL17214219,PC-id_118479371	404.386	ABHIYFKSWFFQNU-LBPRGKRZSA-N	00100010100000110001000010000000000000000000000000000000	25-01-125792
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(nc1)C(F)(F)F	PC-id_92109516	404.386	YWOLVMAUPKFNLV-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-125793
N#Cc1c(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)nc2n1CCS2	EMOLS-id_76028142,ZINC22_328593985,MCULE-6503935089,PC-id_121568083	404.387	GFBABOOIPXTOTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125794
Cc1ccc(n2ncc(C(=O)N(C)Cc3nnc4n3CCC4)c2C(F)(F)F)cc1	EMOLS-id_30252453,PC-id_45887282,MCULE-2002178351,ZINC22_40092666	404.389	SXNAKZJPBCLPNN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125795
CCOC(=O)n1nc2c(c1NC(=O)Cc1ccc(cc1)F)CN(C2(C)C)C(=O)O	SCHEMBL14522070,PC-id_71191432	404.392	VGGVVGNOXLVZRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125796
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)OC	PC-id_2789256,ChEMBL-DNDi_CHEMBL5980286,EMOLS-id_1327860,STOCK2S-58621,BAS-01292104,MCULE-6071708703	404.394	PVMOBVIQJZHLTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125797
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cccc(c1)N(=O)=O)C(=O)OC	PC-id_2789556,MCULE-4561586945,EMOLS-id_1335629,STOCK2S-61230,BAS-01392718	404.394	YKURBSSUYWJYME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125798
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccc1N(=O)=O)C(=O)OC	PC-id_4457004,ChEMBL-DNDi_CHEMBLF3098-1817,MCULE-7215094199,EMOLS-id_5640952	404.394	HJXBIAZJAQUURT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125799
COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_6213864,PC-id_1570445,ZINC22_1779912	404.394	HJXBIAZJAQUURT-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-125800
COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1[C@H](C(=O)OC)CC2	ZINC22_1779911,PC-id_1570444,CoCoCo_6213865	404.394	HJXBIAZJAQUURT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125801
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1553886,ZINC22_1745205,CoCoCo_196821	404.394	YKURBSSUYWJYME-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125802
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1745206,CoCoCo_196820,PC-id_1553887	404.394	YKURBSSUYWJYME-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125803
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_1744100,PC-id_1553432,CoCoCo_187518	404.394	PVMOBVIQJZHLTI-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125804
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744102,PC-id_1553433,CoCoCo_187517	404.394	PVMOBVIQJZHLTI-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125805
c1(NC(=O)c2cc(cc(c2C)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334332880,MCULE-9519607426	404.397	GLGDDSDSHAZRQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125806
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334333139,MCULE-1740668908	404.397	AIZXRYKTBJEXEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125807
CCOP(=O)(CC(=O)NC1CCn2c1ccc2C(=O)c1ccccc1)OCC	SCHEMBL13653087,PC-id_58701638	404.397	ULWHJGJZAVDAJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125808
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N)cc1)C(=O)N	PC-id_18194953	404.397	OCDFVSYRBFBSFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125809
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N)ccc([N+](=O)[O-])c1)C(=O)N	PC-id_27381680	404.397	DGRUPPFSNVWEJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125810
s1c2c(CCC2)c(c1NC(=S)Nc1c(F)c(F)cc(F)c1F)C(=O)OC	PC-id_20413336	404.402	PXQMPURLWYAMOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125811
c1(cnn(C)c1C)c1cc(C(F)(F)F)nc(Nc2sc3CCCc3c2C#N)n1	MCULE-9833236942,TIMTEC369984,ZINC22_36613995,EMOLS-id_17074917,PC-id_44821905	404.412	OYLGNRJCEFSSKH-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-125812
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O	EMOLS-id_328219003,MCULE-7931471779	404.415	JOKJKVMMPDJFJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125813
O=C(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)OCC)C1)c1ccccc1	PC-id_71477418	404.419	QJSOBBDIKIDIIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125814
C1Oc2c(O1)sc(c2S(=O)(=O)NCC#N)C(=O)Nc1ccccc1CC#N	PC-id_88176007,SCHEMBL7630907	404.42	XVWYIFCXZNYEKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125815
CN(c1ccccc1C#N)C(=O)N(CC#N)S(=O)(=O)c1csc2c1OCO2	SCHEMBL7630901,PC-id_88176006	404.42	VCTLFHNMBIJCMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125816
CC(=O)Nc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2920326,PC-id_68441241	404.422	QQYNLEFGCILRFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125817
O=C(c1oc2c(n1)CN(C2)C(=O)c1cccnc1)N1CCN(CC1)c1ccncc1	PC-id_97407314	404.422	OMXRMPUUZBLPJB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-125818
s1c2CCCc2cc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1	PC-id_9474764	404.427	KXVWGFUYWRRLEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125819
O=C(Nc1cnn(Cc2nnc3n2CCC3)c1)N[C@@H](c1ccccc1)c1nc[nH]n1	ZINC22_2325854186	404.429	RIVKRWCRICIVPO-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125820
O=C(Nc1cnn(Cc2nnc3n2CCC3)c1)N[C@H](c1ccccc1)c1nc[nH]n1	ZINC22_2325854187	404.429	RIVKRWCRICIVPO-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125821
c1(c2CCCc2sc1NC(=O)c1ccc(c(c1)N(=O)=O)OC)C(=O)OC(C)C	TIMTEC458774,ZINC22_695993,CoCoCo_5833039,EMOLS-id_5128476,MCULE-4465663187,SPECS-id_AK-968/40734963,PC-id_1028408	404.437	STOJFCYLOAPAMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125822
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1ccccc1OC	PC-id_17377356,ZINC22_17082836,TIMTEC201406,EMOLS-id_4082916,CoCoCo_6832289,MCULE-7562808195	404.437	HSRQDNPQXBWVQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125823
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1cccc(OC)c1	TIMTEC426301,CoCoCo_6832175,ZINC22_17082838,EMOLS-id_4082920,PC-id_17377332,MCULE-2708369196	404.437	RJJXGAMSAURHML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125824
c1(NC(=O)COc2ccc(cc2C)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-5797212334,PC-id_19237176	404.437	SPSMDRQSAWFUKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125825
c1(NC(=O)COc2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-5059963500,PC-id_1406857	404.437	SOSGMHBPGLTUQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125826
Cc1nc(NC(=O)NCc2nnc3n2CCC3)sc1Cc1ccc(F)cc1F	ZINC22_1466556479,PC-id_146094124,MCULE-9260091640,EMOLS-id_324025136	404.437	ABXZIESYEHUPCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125827
CCOc1c(ccc(c1)C(CC(=O)OC)N1C(=O)c2csc(c2C1=O)N)OC	PC-id_89617327,SCHEMBL15015442	404.437	AEUUTTWRYNHFCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125828
CCOc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2csc(c2C1=O)N)OC	SCHEMBL15015434,PC-id_89617320	404.437	OEVRROKSLGHXOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125829
COc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1OC	ZINC22_3409154,PC-id_2528065,EMOLS-id_33985461,MCULE-3369795249	404.437	FQSWJQLUHRXDQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125830
s1c2c(CCC2)c(c1N=Cc1c([N+](=O)[O-])cc(OC)c(OC)c1)C(=O)OCC	PC-id_23936754	404.437	CSFIYIJFJGPAEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125831
s1c2c(CCC2)c(c1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC(=O)OC	PC-id_7521437	404.437	ZMSUUGYEPPMNOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125832
s1c2c(CCC2)c(c1NC(=O)c1cc(OC)c(OC)cc1)C(=O)NC(=O)OC	PC-id_7521448	404.437	CVCOQDZRFQLYNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125833
s1c2c(CCC2)c(c1NC(=O)c1c(OC)cc(OC)cc1)C(=O)NC(=O)OC	PC-id_7521438	404.437	ZZYVQJIHKYTIES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125834
s1c2c(CCC2)c(c1NC(=O)c1c(OC)c(OC)ccc1)C(=O)NC(=O)OC	PC-id_7521495	404.437	KJEHYNNTLDVVBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125835
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1c([N+](=O)[O-])cccc1)C)C(=O)OCC	PC-id_9205389	404.437	YHTRDKLFQVBKGB-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125836
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1c([N+](=O)[O-])cccc1)C)C(=O)OCC	PC-id_9205395	404.437	YHTRDKLFQVBKGB-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125837
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(O)ccc(OC)c1)C)C(=O)N	PC-id_33851474	404.437	DZAVCOAZMYFKKQ-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-125838
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(O)ccc(OC)c1)C)C(=O)N	PC-id_33851477	404.437	DZAVCOAZMYFKKQ-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125839
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(O)cc(OC)cc1)C)C(=O)N	PC-id_8286514	404.437	DAPCIRCRXUZOCU-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-125840
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(O)cc(OC)cc1)C)C(=O)N	PC-id_8286518	404.437	DAPCIRCRXUZOCU-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125841
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(O)c(OC)ccc1)C)C(=O)N	PC-id_29962359	404.437	FOIBATVYQXPHFB-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-125842
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(O)c(OC)ccc1)C)C(=O)N	PC-id_29962369	404.437	FOIBATVYQXPHFB-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125843
s1c2c(CCC2)c(c1NC(=O)COc1c(ccc([N+](=O)[O-])c1)C)C(=O)OCC	PC-id_52635385	404.437	DPOJYLXOXSZDFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125844
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_4951240	404.437	ZXNXGJCPPBQUCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125845
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])ccc(c1)C)C(=O)OCC	PC-id_29637966	404.437	IKRFOQRSKAVRSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125846
s1c2c(CCC2)c(c1NC(=O)C(Oc1c([N+](=O)[O-])cccc1)C)C(=O)OCC	PC-id_4943740	404.437	YHTRDKLFQVBKGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125847
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])cc(cc1)C)C(=O)OCC	PC-id_8560267	404.437	RHHOEFPSUMDEBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125848
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C(=O)OC)C(=O)N	PC-id_38925067	404.437	OGSBALTVGVMBHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125849
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)cc(OC)c1)C(=O)N	PC-id_3616697	404.437	KZDWBWAQFAIUKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125850
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC)cc1)C(=O)N	PC-id_2591277	404.437	BTBBQYSLVDRTQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125851
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cccc1OC)C(=O)N	PC-id_2513392	404.437	HDFSHFHDGNHZEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125852
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)ccc(OC)c1)C(=O)N	PC-id_7561114	404.437	OPOPBIPTZLQFHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125853
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(O)ccc(OC)c1)C)C(=O)N	PC-id_74637003	404.437	DZAVCOAZMYFKKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125854
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(OC)cc1)C(=O)N	PC-id_3607930	404.437	KHBGQPUAWOKNEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125855
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OCC)nccc1)C(=O)OC	PC-id_16524324	404.437	HXTKKIZQVNIERQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-125856
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(O)cc(OC)cc1)C)C(=O)N	PC-id_78654782	404.437	DAPCIRCRXUZOCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125857
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(O)c(OC)ccc1)C)C(=O)N	PC-id_74602402	404.437	FOIBATVYQXPHFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125858
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]cc(c1)C(=O)C)C(=O)OCC	PC-id_9385599	404.437	LOKRGTZFCDAOGA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125859
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cn1c(=O)cccc1)C(=O)OCC	PC-id_8986780	404.437	SDCBUBRGBUYOOS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-125860
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(OC)cc1)C(=O)N	PC-id_7846641	404.437	DCFMDKUBGMHCMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125861
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(OC)cccc1)C(=O)N	PC-id_7854040	404.437	FFACHALWLXHLLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125862
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cnc(cc1)N1CCOCC1	PC-id_89238133,SCHEMBL14056825	404.44	CAGQNSNMULGAEP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-125863
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1c[nH]c(c1)C(=O)N1CCCC1	PC-id_89238141,SCHEMBL14056834	404.44	SHIUNAYPUNEMEU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-125864
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CN(C1)C(=O)c1noc(c1)C	PC-id_90511568	404.44	YKLBKJKTDYBQIC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-125865
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(CCC)c(=O)cc1)C(=O)N	PC-id_30696830	404.44	KKPLBXCXYIAXTM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-125866
s1c2CCCc2c(c1NC(=O)COC(=O)CN1C(=O)[C@](NC1=O)(CC)C)C#N	PC-id_7793454	404.44	GXFSPODTSPLQQR-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125867
s1c2CCCc2c(c1NC(=O)COC(=O)CN1C(=O)[C@@](NC1=O)(CC)C)C#N	PC-id_7793455	404.44	GXFSPODTSPLQQR-SFHVURJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125868
s1c2CCCc2c(c1NC(=O)COC(=O)CN1C(=O)C(NC1=O)(CC)C)C#N	PC-id_78543868	404.44	GXFSPODTSPLQQR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125869
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCC(=O)N	PC-id_16948121	404.44	OUUYNMOKGATBOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125870
s1c2CCC(c2nc1NC(=O)CN(C(=O)C1C=CC(=O)N=C1)C)C(=O)OCC	PC-id_75277752	404.44	IZKUOWPLZFGFMK-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-125871
s1c2CCC(c2nc1NC(=O)CN(C(=O)c1c[nH]c(=O)cc1)C)C(=O)OCC	PC-id_49727357	404.44	BJXCYUKWNLKVGE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-125872
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)C1	PC-id_7484609	404.44	RVBHQWIIEPUISQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125873
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N)c2=O)C=Cc1ccccc1	MCULE-9293552409	404.442	WKEHYZBHVGNACY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125874
c1(NC(=O)COc2nonc2C(=O)NCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_333714493,MCULE-5716862686	404.443	TXLFFUXSWGPNAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-125875
CCN(c1ccc(cc1)N=C1C(=Nn2c1nnc2)C(=O)N)CCNS(=O)(=O)C	PC-id_143613883	404.447	YIGAMJJTWCJUEX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-125876
CCOC(=O)c1c(NC(=O)CCC(=O)Nc2ccc(F)cc2)sc2CCCc12	EMOLS-id_327842637,MCULE-4958649068	404.455	QRBCAECKBIJPJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125877
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1ccc(F)cc1)C)C(=O)N	PC-id_8999135	404.455	ZHXSGAITSMKQJA-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125878
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1ccc(F)cc1)C)C(=O)N	PC-id_8999136	404.455	ZHXSGAITSMKQJA-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125879
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1c(F)cccc1)C)C(=O)N	PC-id_9384149	404.455	MSCBAWYFVZLXRW-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-125880
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1c(F)cccc1)C)C(=O)N	PC-id_9384150	404.455	MSCBAWYFVZLXRW-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125881
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1ccc(F)cc1)C)C(=O)N	PC-id_84897051	404.455	ZHXSGAITSMKQJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125882
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1c(F)cccc1)C)C(=O)N	PC-id_84997464	404.455	MSCBAWYFVZLXRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125883
CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C	SCHEMBL3325721,PC-id_59333945,BindingDB-id_546073	404.457	FEAMJXWEKUEYNR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-125884
c1(NC(=O)c2ccccc2F)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913339,PC-id_44053063,MCULE-2854724826	404.458	AXRDGYVZJOUMOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125885
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)OC2(C)C	PC-id_20093460,SCHEMBL9168337	404.458	ZHNJBYAMERMLJE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125886
COc1ccc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(OC)c1	MCULE-7384599872,EMOLS-id_31548394,PC-id_46861348	404.458	GGMDTLVWUKCPPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125887
COc1ccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(OC)c1	PC-id_52340545,ZINC22_51364596	404.458	GGMDTLVWUKCPPP-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-125888
COc1ccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(OC)c1	ZINC22_51364595,PC-id_52340544	404.458	GGMDTLVWUKCPPP-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125889
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(Cc1ccc(cc1)O)C(=O)O	EMOLS-id_328213877,MCULE-5831529244	404.458	METJZJZUVKATOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125890
O=C(Cn1nc2c(c1NC(=O)c1ccccc1F)CSC2)NC[C@@H]1CCCO1	CoCoCo_5277612,ZINC22_23139074,PC-id_30862380	404.458	AXRDGYVZJOUMOI-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125891
O=C(Cn1nc2c(c1NC(=O)c1ccccc1F)CSC2)NC[C@H]1CCCO1	PC-id_30862382,ZINC22_23139076,CoCoCo_5277613	404.458	AXRDGYVZJOUMOI-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125892
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1ccc(F)cc1)C)C(=O)N	PC-id_9253540	404.458	MZFGCSYYZKZJAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125893
S1Cc2c(nn(c2NC(=O)c2ccc(F)cc2)CC(=O)NCC2OCCC2)C1	PC-id_44053065	404.458	AUNQZNQNHGLUJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125894
S1Cc2c(nn(c2NC(=O)c2cc(F)ccc2)CC(=O)NCC2OCCC2)C1	PC-id_44053064	404.458	WEGBRFQAZYRVJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125895
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)C)cc1)C#N	PC-id_7744665	404.46	UMPKLGGCZZBPPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125896
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(S(=O)(=O)C)cccc1)C#N	PC-id_7724651	404.46	VLMMPBOXVTWKPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125897
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)c1ccco1	MCULE-2086917078,EMOLS-id_23830033,PC-id_45236225	404.462	QNXRVFHOBFRBQZ-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-125898
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cc3ccc(cc3)OC)C2)n1	EMOLS-id_316331829,MCULE-2956369497	404.462	LVYRUJRMNXZCHH-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125899
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)COc3cccc(C)c3)C2)n1	EMOLS-id_316331824,MCULE-5564244518	404.462	WAWKLHVIBNMPBK-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125900
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)Cc3ccc(cc3)OC)C2)n1	MCULE-8870216172	404.462	LVYRUJRMNXZCHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125901
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)COc3cccc(C)c3)C2)n1	MCULE-8414760182	404.462	WAWKLHVIBNMPBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125902
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccc(cc1C)OC	MCULE-9755946244	404.462	IITMYCNSHNOXOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125903
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(cc1C)OC	MCULE-2892370537,EMOLS-id_316253687	404.462	IITMYCNSHNOXOO-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125904
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccccc1OCC	MCULE-5497093773,EMOLS-id_316321595	404.462	ZILGYNNUIMMUJG-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125905
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3cccc(OC)c3)Cc12	MCULE-3109791737,EMOLS-id_316321588	404.462	PYZRCHBCXCMFRO-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125906
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)COCc3ccccc3)Cc12	MCULE-3096660677,EMOLS-id_316320567	404.462	BWONSOCMYHNKOH-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-125907
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3cccc(OC)c3)Cc12	MCULE-2970872381	404.462	PYZRCHBCXCMFRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125908
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)COCc3ccccc3)Cc12	MCULE-2146775984	404.462	BWONSOCMYHNKOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125909
CC(CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)Oc1ccccc1)C	SCHEMBL2918276,PC-id_10222892	404.462	DEPSSXWMKIFSDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125910
CCOc1ccccc1C(=O)NC1Cc2n(C1)ncc2C(=O)NCc1ccccc1	MCULE-1477505566	404.462	ZILGYNNUIMMUJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125911
O=C(C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2)Nc1cccc(c1)c1ccco1	CoCoCo_1433890,CoCoCo_1433891,PC-id_42511175	404.462	UMVHWGZRHCPZMU-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-125912
O=C(Nc1ccc(c2ccco2)cc1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	CoCoCo_1543637,PC-id_42196293,ZINC22_11818980,CoCoCo_1543639	404.462	QNXRVFHOBFRBQZ-MRXNPFEDSA-N	00000010101010110001100010000000000000000000000000000000	25-01-125913
O=C(Nc1ccc(c2ccco2)cc1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	CoCoCo_1543638,CoCoCo_1543636,ZINC22_11818981,PC-id_42196294	404.462	QNXRVFHOBFRBQZ-INIZCTEOSA-N	00000010101010110001100010000000000000000000000000000000	25-01-125914
c1(NC(=S)NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_4505656,TIMTEC550325,MCULE-8559734828,ZINC22_6825176	404.463	XLRSJGGGHWAABO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125915
c1(NC(=S)NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)N	ZINC22_6846514,PC-id_4505412,MCULE-5572604798,TIMTEC259558	404.463	KFFGAUUUFYJBGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125916
c1(NC(=S)NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	TIMTEC394704,ZINC22_6826112,PC-id_4505413,MCULE-8868827870	404.463	PZZIHESNGXBJPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125917
Cc1occc1c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)o1	EMOLS-id_13506313,CoCoCo_3110913,MCULE-6976995844,PC-id_8302449,ZINC22_7194347	404.463	QHABMHUEJDJCIB-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-125918
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(o1)c1ccco1	PC-id_16312054,MCULE-1307201853,EMOLS-id_11740098	404.463	NGDZDHYDPDPQPV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-125919
C[C@@H](Sc1nnc(c2ccco2)o1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_8452981,ZINC22_7357782,CoCoCo_4175289	404.463	NGDZDHYDPDPQPV-MRVPVSSYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-125920
C[C@H](Sc1nnc(c2ccco2)o1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_7357777,PC-id_8452976,CoCoCo_4175288	404.463	NGDZDHYDPDPQPV-QMMMGPOBSA-N	00000010101000000001100010000000000000000000000000000000	25-01-125921
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)Nc1ccc(c(C)c1)C	EMOLS-id_207863158,MCULE-9648860458	404.465	WTSMIOULEUCSLR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125922
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)NCCc3ccccc3)Cc12	EMOLS-id_316321086,MCULE-6500755029	404.465	NDIZKMLERVHSSU-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125923
CN(Cc1nnc2n1CCC2)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1	ZINC22_520783300	404.465	SFYPKAOGQUMUEO-GOSISDBHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125924
CN(Cc1nnc2n1CCC2)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1	ZINC22_520783301	404.465	SFYPKAOGQUMUEO-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125925
O=C(NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1)NCCc1ccccc1	MCULE-9013819508	404.465	NDIZKMLERVHSSU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-125926
O=C(NCc1n2CCCc2nn1)Nc1ccc(CC(=O)N(c2ccccc2)C)cc1	PC-id_60488252	404.465	QWEGIDBVCDRTCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125927
NC(=O)c1c(NC(=O)CSc2nnc(c3ccco3)n2N)sc2c1CCC2	ZINC22_8936552,PC-id_16234693,CoCoCo_3634279,EMOLS-id_2891792,MCULE-2518278664	404.467	FXDSZSDXEJHLIH-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-125928
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)Cc1occc1)C(=O)N	PC-id_18227895	404.467	FKBQISMROMVTAN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-125929
CN(CCN1CC(c2c1scc2)S(=O)(=O)c1cccc(c1)C(F)(F)F)C	SCHEMBL5235969,PC-id_22149008	404.47	QFZRJGHYPVPFLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125930
CN(CCN1CCc2c1sc(c2)S(=O)(=O)c1cccc(c1)C(F)(F)F)C	SCHEMBL5235971,PC-id_69365357	404.47	YLWRPSSPXHWIKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125931
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)c1ccc(c(C)c1)F	MCULE-7408108519,EMOLS-id_186651641	404.478	PEORCWXLWCLCLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125932
s1c2CCCc2c(c1NC(=O)COC(=O)CCSc1ccc(F)cc1)C#N	PC-id_7972403	404.478	WXROAWFNQOMESR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125933
c1(NC(=O)NCCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	CoCoCo_6533752,PC-id_8069442,ZINC22_6754816,STOCK6S-11572,MCULE-3804212085,EMOLS-id_4741949	404.48	UHZNWCGZKGPMMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125934
CCOC1=Cc2c(C1)c(nn2S(=O)(=O)c1ccc(cc1)C)C(=O)OC(C)(C)C	PC-id_58713644,SCHEMBL5530557	404.48	XTLRKMVCLFCUAA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-125935
CCOC1=Cc2c(C1)c(n(n2)S(=O)(=O)c1ccc(cc1)C)C(=O)OC(C)(C)C	PC-id_69704337,SCHEMBL6208070	404.48	ZGQRBFYERSKQJP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-125936
COc1ccc(cc1)CSC1(Cc2c(C1)ncn2C(=O)OC(C)(C)C)C(=O)O	PC-id_15814396,SCHEMBL7827982	404.48	CQULQNCUPCJBCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125937
COc1cc(CCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc(OC)c1OC	MCULE-7290653327,CoCoCo_3218620,PC-id_4793657,ZINC22_6652335,EMOLS-id_3439660	404.48	NJFBWGDGYRLQNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125938
s1c2CCCc2cc1C(=O)NNC(=O)CCc1cc(OC)c(OC)c(OC)c1	PC-id_27684479	404.48	SNKNATRVTOKMGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125939
c1(NC(=O)COc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-6028017813,EMOLS-id_181301349,PC-id_24023255	404.481	JOGVSTROHRZPQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125940
CNC(=O)c1c(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c1CCC2	CoCoCo_2590252,PC-id_7474986,EMOLS-id_16349099	404.481	NSMXUMCKBAYTKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125941
c1(NC(=O)c2ccc(cc2OC)OC)c2CSCc2nn1CC(=O)NCCC	ZINC22_23138834,PC-id_30862169,EMOLS-id_24913191,CoCoCo_5277526,MCULE-1301125735	404.483	KCDODNGLMKTHDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125942
c1(NC(=O)c2cccc(OC)c2OC)c2CSCc2nn1CC(=O)NCCC	ZINC22_23138743,MCULE-4452444774,CoCoCo_5277494,EMOLS-id_24913131,PC-id_30862083	404.483	OIYLDROIQZNGHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125943
c1(NC(=O)Cc2ccc(cc2)OC)c2CSCc2nn1CC(=O)NCCOC	EMOLS-id_24913317,PC-id_30862332,MCULE-7038614474,CoCoCo_5277595,ZINC22_23139019	404.483	ZQKRTPAJUGKIPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125944
c1(NC(=O)C(C)Oc2ccccc2)c2CSCc2nn1CC(=O)NCCOC	EMOLS-id_24913313,PC-id_44053018,MCULE-4074676060	404.483	IKVNYEBQQVNJHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125945
c1(NC(=O)COc2ccccc2OC)c2CSCc2nn1CC(=O)NCCC	EMOLS-id_24913145,ZINC22_23138763,CoCoCo_5277502,MCULE-5300938636,PC-id_30862103	404.483	JHOVGIHTHFVDKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125946
c1(NC(=O)COCC)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	CoCoCo_5277791,ZINC22_23139580,MCULE-6126255163,PC-id_30862802,EMOLS-id_24913583	404.483	XKQDOXIVVXLZOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125947
c1(NC(=O)C(=O)NCc2ccc(cc2)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_18586560,CoCoCo_5190616,MCULE-9290478545,ZINC22_10250658,EMOLS-id_5625834	404.483	SABFLZIABRQJOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125948
c1(NC(=O)C(=O)NC(C)c2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_18586562,EMOLS-id_5625838,MCULE-3708512827	404.483	LIFZRJHUIVOQRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125949
C[C@@H](NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2)c1ccccc1	PC-id_41427076,ZINC22_10250664,CoCoCo_5190618	404.483	LIFZRJHUIVOQRY-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125950
C[C@H](NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2)c1ccccc1	ZINC22_10250662,PC-id_41427075,CoCoCo_5190619	404.483	LIFZRJHUIVOQRY-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125951
CCOC(=O)c1cc(COC)cc(NC(=O)NCCc2cn3c(n2)SCC3)c1	ZINC22_1672223412	404.483	GFCBIORTWGEOBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125952
COCCNC(=O)Cn1nc2c(c1NC(=O)[C@H](C)Oc1ccccc1)CSC2	CoCoCo_5277593,PC-id_30862328,ZINC22_23139013	404.483	IKVNYEBQQVNJHD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125953
COCCNC(=O)Cn1nc2c(c1NC(=O)[C@@H](C)Oc1ccccc1)CSC2	PC-id_30862324,ZINC22_23139010,CoCoCo_5277592	404.483	IKVNYEBQQVNJHD-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125954
S1Cc2c(nn(c2NC(=O)c2ccc(OCC)cc2)CC(=O)NCCOC)C1	PC-id_44052991	404.483	RKYYYSFZTJNCKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125955
S1Cc2c(nn(c2NC(=O)c2cc(OC)cc(OC)c2)CC(=O)NCCC)C1	PC-id_44052882	404.483	FAUSBGBNUXWPSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125956
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)cc2)CC(=O)NCCC)C1	PC-id_44052881	404.483	UTSFNXUQYHPKLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125957
S1Cc2c(nn(c2NC(=O)c2c(OCC)cccc2)CC(=O)NCCOC)C1	PC-id_44052990	404.483	SLLVDMHWZVTOID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125958
S1Cc2c(nn(c2NC(=O)COc2c(cccc2)C)CC(=O)NCCOC)C1	PC-id_44053020	404.483	JAIANZQOLUYULG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125959
S1Cc2c(nn(c2NC(=O)COc2cc(ccc2)C)CC(=O)NCCOC)C1	PC-id_44053021	404.483	LECDARKTNCWFLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125960
S1Cc2c(nn(c2NC(=O)COc2ccc(cc2)C)CC(=O)NCCOC)C1	PC-id_44053022	404.483	QLUHWIJXZNJTGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125961
S1Cc2c(nn(c2NC(=O)COc2ccc(OC)cc2)CC(=O)NCCC)C1	PC-id_44052840	404.483	LSXXTDPZWTZEHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125962
S1Cc2c(nn(c2NC(=O)COc2cc(OC)ccc2)CC(=O)NCCC)C1	PC-id_44052839	404.483	MMUBGDRHZBIUCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125963
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3C)C)n2)C)sc2c(CCC2)c1C#N	MCULE-2658456811,EMOLS-id_322820905	404.485	AIAYKYREDISTAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125964
c1(NC(=O)c2c(=O)cc(n(c3cccc(C)c3C)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322820649,MCULE-9234387875	404.485	XFDZGUBZGYORJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125965
c1(NC(=O)c2c(=O)cc(n(c3cc(C)cc(C)c3)n2)C)sc2c(CCC2)c1C#N	MCULE-3584743797,EMOLS-id_322820394	404.485	MMZBSXNRVGDFHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-125966
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCC)cc1)C(=O)OC	PC-id_4948865	404.503	RMLZJUWSBNUGKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126026
COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1ccc(cc1)N(C)C)/c2=O	STOCK4S-42712,ZINC22_5164256,EMOLS-id_206980559	404.485	OGKHASWCMYBRRO-ILPOUQNUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125967
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-9735326833	404.485	OGKHASWCMYBRRO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-125968
NC(=O)[C@@]1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N[C@@H](c1cnc[nH]1)C	PC-id_140366058	404.485	SHTPMECXUKRKLZ-FUXBKTLASA-N	00000010100000000001000010000000000000000000000000000000	25-01-125969
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)C	PC-id_24751601,SCHEMBL4282989	404.487	JNDNLJVASZMHRE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-125970
s1c2CCCc2nc1NC(=O)CN1CCN(CC1)CC(=O)Nc1noc(c1)C	PC-id_60507778	404.487	IDQBYPUOSBGSGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-125971
S(OOC)c1c(n[n-]c1[N-]N=C1C(=Nn2c1nnc2C)C(C)(C)C)C(C)(C)C	PC-id_59247785	404.49	SKZFBADWNRKDKF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-125972
CCCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C[C@H]2C(=O)[O-])C)C)sc2c1CCC2	PC-id_1764236,GD-id_ZINC02109063	404.5	QNLDFZYJVLUHMZ-LSDHHAIUSA-M	00000010100011000000000010000000000000000000000000000000	25-01-125973
s1c2c(CCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)OCCC	PC-id_78244658	404.5	QNLDFZYJVLUHMZ-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-125974
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCCC	PC-id_1764239	404.5	QNLDFZYJVLUHMZ-HUUCEWRRSA-M	00000010100011000000000010000000000000000000000000000000	25-01-125975
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCCC	PC-id_1764242	404.5	QNLDFZYJVLUHMZ-GJZGRUSLSA-M	00000010100011000000000010000000000000000000000000000000	25-01-125976
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCCC	PC-id_1764244	404.5	QNLDFZYJVLUHMZ-CABCVRRESA-M	00000010100011000000000010000000000000000000000000000000	25-01-125977
CCOc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1OCC	EMOLS-id_328218231,MCULE-8722836940	404.501	SWXWNGVTLZFAKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125978
COc1ccc(cc1OC)C(C)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-4942906632,EMOLS-id_328213104	404.501	VHTJIMSYPDMUNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125979
COc1ccc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1OC	MCULE-8894020582,EMOLS-id_328212350	404.501	KMUYQSHRJLPASI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125980
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)CC(C)(C)C	PC-id_44053659	404.502	QKWAXGIMXHHNDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125981
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)C(CC)CC	PC-id_44053660	404.502	BJPXSMRRXIZCFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125982
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)NC1CCS(=O)(=O)C1	TIMTEC191453,PC-id_17012685,MCULE-4958069477,EMOLS-id_10105454	404.503	HHMLSQWIBSSCRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125983
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	MCULE-6894761856,ZINC22_10218686,EMOLS-id_5624454,PC-id_18585870,CoCoCo_5189733	404.503	AYXNXLJEUSCJCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125984
c1(NC(=S)NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)OCC	ZINC22_2551952,CoCoCo_6069771,MCULE-5522942280,SPECS-id_AN-153/I201831,TIMTEC396944,EMOLS-id_3763707,PC-id_2062625,SPECS-id_AT-084/J170263	404.503	QCNOWRFGIOZNCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125985
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCOc1ccc(OC)cc1	EMOLS-id_186624781,MCULE-3780301235	404.503	IPVJSCPDKHWTJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125986
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccc(cc1)N(C)C)C(=O)O	PC-id_57791500,SCHEMBL13786753	404.503	IBACCBWOEGUMMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-125987
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1	PC-id_35042694,ZINC22_27663104,CoCoCo_6329957	404.503	HHMLSQWIBSSCRF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125988
O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1	ZINC22_27663106,PC-id_35042696,CoCoCo_6329958	404.503	HHMLSQWIBSSCRF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125989
s1c2CCCc2cc1C(=O)OCC(=O)N1CCN(CC1)C(=O)c1sccc1	PC-id_8522596	404.503	DTUWHWFHCOFQOM-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-125990
s1c2c(CCC2)c(c1NC(=O)c1ccc(SCC)cc1)C(=O)NC(=O)OC	PC-id_7579349	404.503	WRYMGYUHHVDDQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125991
s1c2c(CCC2)c(c1NC(=O)c1cc(SCC)ccc1)C(=O)NC(=O)OC	PC-id_7578952	404.503	CGFWWZYKIOADIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125992
s1c2c(CCC2)c(c1NC(=O)c1c(SCC)cccc1)C(=O)NC(=O)OC	PC-id_7578570	404.503	XYFBDXAGEVYQHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125993
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC)cc1)C(=O)NC(=O)OC	PC-id_41126479	404.503	OWFYOPYBYHWRKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125994
s1c2c(CCC2)c(c1NC(=O)CCSc1ccccc1)C(=O)NC(=O)OC	PC-id_7521491	404.503	DZAVXEDPRURSNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125995
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(SC)cc1)C)C(=O)N	PC-id_8994736	404.503	WWAHKPSTNKSPFT-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-125996
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(SC)cc1)C)C(=O)N	PC-id_8994737	404.503	WWAHKPSTNKSPFT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125997
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(SC)cccc1)C)C(=O)N	PC-id_8735809	404.503	HPTYILBERVIUBM-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-125998
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(SC)cccc1)C)C(=O)N	PC-id_8735810	404.503	HPTYILBERVIUBM-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-125999
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/c1sc(cc1)C)C)C(=O)N	PC-id_8953757	404.503	UXXCWEDPDNMSMN-FBOQAHMBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126000
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/c1sc(cc1)C)C)C(=O)N	PC-id_8953762	404.503	UXXCWEDPDNMSMN-ANYFNZRUSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126001
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/c1sccc1C)C)C(=O)N	PC-id_8954284	404.503	NFCRMWSUFHLVHS-MLRMMBSGSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126002
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/c1sccc1C)C)C(=O)N	PC-id_8954287	404.503	NFCRMWSUFHLVHS-XUIVZRPNSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126003
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CSc1ccccc1)C)C(=O)N	PC-id_8948243	404.503	JGTMIHAHPQJNLI-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-126004
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CSc1ccccc1)C)C(=O)N	PC-id_8948254	404.503	JGTMIHAHPQJNLI-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126005
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(OC)c(OC)cc1)C)C(=O)N	PC-id_9100748	404.503	DVEARKRZBHVHMB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126006
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(OC)cc(OC)cc1)C)C(=O)N	PC-id_9101752	404.503	YSMAXJRNFZOBJD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126007
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(OC)c(OC)ccc1)C)C(=O)N	PC-id_9196748	404.503	ABTPLDXEJBTYSX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126008
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(SC)cc1)C)C(=O)N	PC-id_84895588	404.503	WWAHKPSTNKSPFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126009
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(SC)cccc1)C)C(=O)N	PC-id_24497402	404.503	HPTYILBERVIUBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126010
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1sc(cc1)C)C)C(=O)N	PC-id_84882085	404.503	UXXCWEDPDNMSMN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126011
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1sccc1C)C)C(=O)N	PC-id_84882262	404.503	NFCRMWSUFHLVHS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126012
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCSc1ccccc1)C(=O)N	PC-id_7843523	404.503	GFNUGLBJBVDQDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126013
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](Sc1ccccc1)C)C(=O)N	PC-id_40564827	404.503	FWFDGNLKWTUFPR-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-126014
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](Sc1ccccc1)C)C(=O)N	PC-id_7806408	404.503	FWFDGNLKWTUFPR-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126015
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(Sc1ccccc1)C)C(=O)N	PC-id_45663057	404.503	FWFDGNLKWTUFPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126016
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1c(cccc1)C)C(=O)N	PC-id_7555318	404.503	SYOCTLJSHHWECR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126017
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CSc1ccccc1)C)C(=O)N	PC-id_84880346	404.503	JGTMIHAHPQJNLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126018
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_7521498	404.503	CSUNPKHQNAZEFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126019
s1c2c(CCC2)c(c1NC(=O)CSc1ccccc1)C(=O)NC(=O)OCC	PC-id_7521571	404.503	MAPVLSQZASLKOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126020
s1c2c(CCC2)c(c1NC(=O)CSCc1ccccc1)C(=O)NC(=O)OC	PC-id_41576701	404.503	QKIWUVHJVKRMBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126021
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)OCC)C(=O)OC	PC-id_19687821	404.503	FKVQXDQJPZEZRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126022
s1c2c(CCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OC)C)C(=O)OC	PC-id_20412750	404.503	XETCVWQIJKRQSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126023
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCC)C(=O)OC	PC-id_20413847	404.503	LVRRFBWDMBOGIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126024
s1c2c(CCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)OCC)C(=O)OC	PC-id_20415523	404.503	OKTZDFLIZGTSPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126025
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCC)ccc1)C(=O)OC	PC-id_4957632	404.503	APDTWDBVTOMLBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126027
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCC)cccc1)C(=O)OC	PC-id_4926721	404.503	NYUGITBZCNXNOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126028
CNc1n[nH]c2c1CN(C2(C)C)C(=O)C(c1ccccc1)COCc1ccccc1	SCHEMBL19312183	404.505	ORLGFMBBQROZHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126029
O=C(c1ccc(cc1)CCNC[C@@H](c1ccccc1)O)NCc1n[nH]c2c1CCC2	PC-id_139419313,SCHEMBL21278271	404.505	QTASNOOIAQMGBS-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126030
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CN1C(=O)CSC1=S	PC-id_92109534	404.506	NPCYJKRDTQQLLN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-126031
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1noc(c1)C)C(=O)N	PC-id_51620004	404.506	KTXVPEOTVHKCKP-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-126032
CCNC(=NCc1ccc(cc1Oc1ccccc1)C)NCc1nnc2n1CCC2	PC-id_109608550	404.508	PDLAZWVUHVCOSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126033
O=C(N(Cc1n2CCCc2nn1)C)/C=C/c1c(n(nc1C)Cc1ccc(cc1)C)C	PC-id_52599198	404.508	FBUZWSSIZAVMBP-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126034
O=C(N(Cc1n2CCCc2nn1)C)C=Cc1c(n(nc1C)Cc1ccc(cc1)C)C	PC-id_75878334	404.508	FBUZWSSIZAVMBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126035
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)NC1CCCC1	MCULE-8294066529,EMOLS-id_4083191,TIMTEC358318,PC-id_17377087	404.523	OLISTOKEPCXXGI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126036
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832006,ZINC22_17082910,PC-id_27522697	404.523	OLISTOKEPCXXGI-ZIAGYGMSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126037
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832007,ZINC22_17082908,PC-id_27522693	404.523	OLISTOKEPCXXGI-UONOGXRCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126038
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27522695,ZINC22_17082909,CoCoCo_6832008	404.523	OLISTOKEPCXXGI-KBPBESRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126039
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_17082911,CoCoCo_6832009,PC-id_27522699	404.523	OLISTOKEPCXXGI-KGLIPLIRSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126040
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C(=O)NCC=C	PC-id_55422433	404.523	BMHPNNBMSDDJNH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126041
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCCN1CCCC1=O	PC-id_52333130	404.523	GTUFJYYUCJQCDI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126042
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCCC1	PC-id_45663378	404.523	ZITATWXNUAAVBO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126043
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C(=O)NC1CC1)C	PC-id_45663360	404.523	FCUVHHQAXAGAPH-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-126044
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C(=O)NC1CC1)C	PC-id_41733096	404.523	FCUVHHQAXAGAPH-LBPRGKRZSA-N	00100010100010000000000010000000000000000000000000000000	25-01-126045
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C(=O)NC1CC1)C	PC-id_41733098	404.523	FCUVHHQAXAGAPH-GFCCVEGCSA-N	00100010100010000000000010000000000000000000000000000000	25-01-126046
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1CC	ZINC22_4616323,EMOLS-id_8301685,PC-id_4649800,MCULE-7583056042,CoCoCo_1731261	404.525	JVIKANKSGJJTHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126047
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1CC	EMOLS-id_2763580,MCULE-8761295468,ZINC22_4499556,CoCoCo_1731260,PC-id_3818778	404.525	XALNJMWSZKLENZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126048
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1CC	ChEMBL-DNDi_CHEMBL3261-0958,ZINC22_4211535,PC-id_3641299,EMOLS-id_2763229,CoCoCo_6728364,GD-id_ZINC04211535,TIMTEC394320,MCULE-7822174071	404.525	PZOGVYXPAWUKPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126049
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3974511206,EMOLS-id_334332321	404.525	QBKRKFOXJBLJTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126050
c1(NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5900226128,EMOLS-id_334331554	404.525	PMXKUTFPJVODOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126051
c1(NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8534188946,EMOLS-id_334332577	404.525	YBIHJWNUVVKGNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126052
c1(NC(=O)C(c2ccccc2)Cc2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-7462498420,EMOLS-id_334328539	404.525	CCAFEWHKYBEESF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126053
c1(NC(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4305605479,EMOLS-id_334328996	404.525	XEDICGANWFIFBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126054
c1(sc2c(CCC2)n1)NC(=O)C(=Cc1ccc(cc1)OC(C)C)c1ccccc1	MCULE-1870325379	404.525	QPLAPGNLLLILRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126055
CC(C)Oc1ccc(/C=C(/C(=O)Nc2nc3CCCc3s2)c2ccccc2)cc1	EMOLS-id_334660052	404.525	QPLAPGNLLLILRI-HMMYKYKNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126056
s1c2CCCc2cc1C(=O)N(C(c1cc(NC(=O)c2ccccc2)ccc1)C)C	PC-id_46588859	404.525	TWGPUUBAOGQYFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126057
s1c2CCCc2c(c1NCc1cc(OC)c(OCCc2ccccc2)cc1)C#N	PC-id_50887447	404.525	VCLBKSPLDPQVHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126058
c1(NC(=O)CN(C)Cc2c(C)nn(C)c2C)sc2c(CCC2)c1C(=O)OCC	MCULE-7127533490,TIMTEC112994,CoCoCo_6847877,PC-id_22196530,ZINC22_14192452,CoCoCo_6847878,EMOLS-id_4268201	404.526	CXRUPTQKKYTAGK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126059
c1(NC(=O)CN(C)Cc2cnn(CC)c2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_4262363,CoCoCo_6847857,ZINC22_14187109,CoCoCo_6847858,PC-id_22194114,MCULE-1262151055	404.526	YRBMRIOGMKMPQS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126060
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O	EMOLS-id_24138088,CoCoCo_3304475,MCULE-8550838004,PC-id_24979021,CHEMBL1563887,ChEMBL-DNDi_CHEMBL1563887,ZINC22_13016295	404.526	TYMOQYKYGFNBTE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126061
CCCCN(C(=O)c1cc2c(s1)CCC2)c1c(N)n(CCCC)c(=O)[nH]c1=O	PC-id_24979006,EMOLS-id_42592018,ZINC22_13016292,CoCoCo_3292731,MCULE-4111613583	404.526	DVLJLICAPBTHHH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126062
CCCCN(C(=O)c1cc2c(s1)CCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	PC-id_25162046,ZINC22_14719875,ChEMBL-DNDi_CHEMBL1495465,CHEMBL1495465,MCULE-5251301210,EMOLS-id_42604660,CoCoCo_3316911	404.526	FAZMYTQKASQERI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126063
O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1cc2c(s1)CCC2	PC-id_2348901,ZINC22_6147127,CoCoCo_3758945,MCULE-5939610564,EMOLS-id_2985840	404.526	LBGXSUOCMCVYMJ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-126064
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)OC(C)(C)C)C#N	PC-id_52758864	404.526	IXEONONTWIAKCR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126065
S1Cc2c(n(nc2C1)CC(=O)NCc1occc1)NC(=O)C(CCC)CCC	PC-id_44053216	404.526	MPUMVRVLCZGSJR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-126066
S(=O)(=O)(N(CCC)CCC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536278	404.526	UGZGLMOXCQOFPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126067
S(=O)(=O)(N(CCCC)CC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536312	404.526	CUFAULIHUFDJML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126068
CCN(CC)c1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324838136	404.528	QKEMAIAKIKKCMC-SILNSSARSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126069
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)CCc1ccccc1	MCULE-8346094686	404.528	QKEMAIAKIKKCMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126070
c1(CN2CCC(CC2)C)nnnn1CCCC(=O)NCc1cn2c(SCC2)n1	CoCoCo_1348481,CoCoCo_1348482,PC-id_25286976,ZINC22_12446813,EMOLS-id_23816913,MCULE-5192088684	404.533	WWHUYQBTNJINBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126071
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5739187246,EMOLS-id_334389267	404.546	KSBOKTOWVCTBIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126072
c1(NC(=S)Nc2c(O)ccc(C(C)(C)C)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4083371,PC-id_17255551,CoCoCo_6823064,TIMTEC395137,MCULE-1795463033,ZINC22_17083015	404.546	QAMILCITZILTTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126073
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2c(s1)CCC2	ZINC22_5021063,EMOLS-id_43801773,PC-id_4377308,MCULE-8862800416,CoCoCo_3180701	404.546	PJXSYLJOZVQLPR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-126074
O=C(c1sc2c(c1)CCC2)NC1CCN(CC1)S(=O)(=O)Cc1ccccc1	PC-id_86967941	404.546	YVYMDNIZMVRPHO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-126075
OC(C[NH+](C(C)C)C)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_74775114	404.546	ZEFUQOFAVUETMO-UHFFFAOYSA-P	00000010100000110001000010000000000000000000000000000000	25-01-126076
O[C@@H](C[NH+](C(C)C)C)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42098201	404.546	ZEFUQOFAVUETMO-KRWDZBQOSA-P	00000010100000110001000010000000000000000000000000000000	25-01-126077
O[C@H](C[NH+](C(C)C)C)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42098203	404.546	ZEFUQOFAVUETMO-QGZVFWFLSA-P	00000010100000110001000010000000000000000000000000000000	25-01-126078
s1c2CCCc2cc1C(=O)OC(C(=O)N(C1CCCCC1)c1sccn1)C	PC-id_24593272	404.546	UUQGANVJEUSVEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126079
s1c2c(CCC2)c(c1NC(=O)CN1C(CCC1)c1ccsc1)C(=O)OCC	PC-id_55851127	404.546	CPOBTMVUWVKCHC-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-126080
s1c2c(CCC2)c(c1NC(=O)CN1C(CCC1)c1sccc1)C(=O)OCC	PC-id_55355786	404.546	GIMQJXNDWNPQQY-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-126081
s1c2c(CCC2)c(c1NC(=O)CN1[C@@H](CCC1)c1sccc1)C(=O)OCC	PC-id_9446725	404.546	GIMQJXNDWNPQQY-AWEZNQCLSA-N	00000010100100000000100010000000000000000000000000000000	25-01-126082
s1c2c(CCC2)c(c1NC(=O)CN1[C@H](CCC1)c1sccc1)C(=O)OCC	PC-id_9446727	404.546	GIMQJXNDWNPQQY-CQSZACIVSA-N	00000010100100000000100010000000000000000000000000000000	25-01-126083
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)Cc1sccc1)C(=O)OCC	PC-id_55568704	404.546	RQPDMTCNDZNWBP-UHFFFAOYSA-N	00100010100100000000000010000000000000000000000000000000	25-01-126084
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(OCC)cc1)C)C(=O)OC	PC-id_20168555	404.546	ORLMYJUZKVPSFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126085
S(=O)(=O)(N1CCC(CC1)C)c1ccc(NC(=O)c2sc3CCCc3c2)cc1	PC-id_9328394	404.546	NWOGIBHYNCZWBY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-126086
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1cc(c(cc1)C)C	PC-id_9327027	404.546	RKGTYHIEZHTMQJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126087
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1c(ccc(c1)C)C	PC-id_9372470	404.546	TVAIHWHOXLCTBZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126088
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1c(cc(cc1)C)C	PC-id_9377435	404.546	YPLPSXJMKGLISD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126089
S(=O)(=O)(NNC(=O)c1sc2CCCc2c1)c1ccc(C2CCCCC2)cc1	PC-id_8474201	404.546	WURLGXQODVHXCT-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-126090
c1(NC(=O)c2ccccc2SCC)c2CSCc2nn1CC(=O)NCCC	EMOLS-id_24913219,MCULE-5767757364,ZINC22_23138878,PC-id_30862202,CoCoCo_5277542	404.549	OXYMZGDPBJSREO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126091
c1(NC(=O)CSCc2ccccc2)c2CSCc2nn1CC(=O)NCCC	MCULE-4650219237,PC-id_30862189,EMOLS-id_24913207,ZINC22_23138858,CoCoCo_5277535	404.549	QVAHSPJJXHFHRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126092
NCCC(=O)N1CCCC1c1cc(c(s1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_145990739	404.549	YGUYOSHDWSVVGT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-126093
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCCC(C1)N1CCCCCC1	PC-id_86900527	404.569	WEXOXJOAEUQIEZ-UHFFFAOYSA-N	00000010100010000100100010000000000000000000000000000000	25-01-126094
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(C1CCCCC1)C1CCCCC1	EMOLS-id_328335516,MCULE-5481831182	404.588	ULJXBQPKQDRAQR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-126095
CC(N1Cc2c(C1)nc(s2)C(C)C)CCCc1sc2c(n1)CN(C2)C(C)C	SCHEMBL19134139	404.636	INTBBJZMLIKIOP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126096
CC1CCc2c1c(CCl)nn2Cc1cc(F)ccc1I	MCULE-3388739516,EMOLS-id_331024399	404.649	RCJSBNYSCRURCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126097
CC1CCc2c1c(CCl)nn2Cc1c(F)cccc1I	MCULE-5619891933,EMOLS-id_331024143	404.649	AYJSAYTWQGXYFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126098
CC1CCc2nn(Cc3cc(F)ccc3I)c(CCl)c12	MCULE-4262381187,EMOLS-id_331008441	404.649	MGVUVIFIABPGKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126099
CC1CCc2nn(Cc3c(F)cccc3I)c(CCl)c12	MCULE-6285427998,EMOLS-id_331008185	404.649	ZWIRVULLLIDROD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126100
C1Cc2c(C1)sc(c2C(=O)Nc1cnc(cc1)Cl)I	PC-id_135200361,SCHEMBL20353943	404.654	ANGMSOJKSWWNHL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126101
O=C(c1ccc(c(c1)Cl)I)Nc1sc2c(n1)CCC2	PC-id_103222018	404.654	VZXSRQQRLIEENE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126102
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)c(Cl)cc(Cl)c1	PC-id_7238929	404.695	PSCDEQUIAYQRCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126103
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cc(Cl)c(Cl)cc1Cl	ZINC22_6224225,EMOLS-id_33326936,PC-id_3999663,MCULE-9341772199	404.695	QOVNKRMULJSONF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126104
CC(C)Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324911621	404.699	SGDDUPHVDZOFRW-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126105
CCCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324914692	404.699	WZXRAGZFSKMWET-FLIBITNWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126106
n12c(=O)c(=Cc3cccc(OCCC)c3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1638347768	404.699	WZXRAGZFSKMWET-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126107
n12c(=O)c(=Cc3cccc(OC(C)C)c3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-6796341950	404.699	SGDDUPHVDZOFRW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126108
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)ncc(c1)C(F)(F)F	GD-id_ZINC06861673,PC-id_4540581	404.791	VVDSZWFUTNWGDW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126109
O=C(c1c[nH]c(=O)n(c1=O)Cc1ccccc1Cl)Nc1onc2c1CSC2	PC-id_121027180	404.828	FFNHDPXXWDBXBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126110
Clc1cc(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1F	PC-id_78559828	404.842	YUJPGXWNJLFUHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126111
Clc1cc(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1F	PC-id_7880661	404.842	YUJPGXWNJLFUHF-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126112
Clc1c(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(F)ccc1	PC-id_1702278	404.842	CJDCCDLFFQUVBX-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126113
Clc1c(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(F)ccc1	PC-id_5019390	404.842	CJDCCDLFFQUVBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126114
Clc1ccc(cc1)C(=O)C1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69482968,SCHEMBL5547792	404.847	RGTWRLJBCVPKJS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126115
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)Cc1cccs1	MCULE-9918718219	404.851	WDTZRRCYXZXYFJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126116
[O-][N+](=O)c1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)ccc1Cl	EMOLS-id_324831999	404.851	WDTZRRCYXZXYFJ-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126117
CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)/c(=C/N(C)C)/sc12	ZINC22_6402114	404.867	XTZHQGKDHHRYQJ-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126118
CCOC(=O)c1cc(n2c1sc(=CN(C)C)c2=O)C(=O)c1ccc(cc1)Cl	EMOLS-id_26156737,MCULE-9415643029	404.867	XTZHQGKDHHRYQJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126119
Clc1ccc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	MCULE-9073232167,EMOLS-id_26048728,PC-id_5145135	404.867	ZFIJHDMWXINTPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126120
Clc1cc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_3925531,MCULE-3155755154,EMOLS-id_26037516	404.867	MBLWAKINRVFRQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126121
Clc1c(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cccc1	PC-id_7521509	404.867	MDDHJBXABISDSO-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126122
Clc1c(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cccc1	PC-id_78495707	404.867	MDDHJBXABISDSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126123
Clc1cc(CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(OC)cc1	PC-id_8615541	404.867	YFPJCNDHMHILQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126124
Clc1c(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	MCULE-6102946416,EMOLS-id_26037284,PC-id_4801457	404.867	HLWWRVSZRBFHNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126125
Clc1cc(c(OCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1)C	PC-id_8021096	404.867	MVEKVTAAXPPVLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126126
Clc1ccc(OC(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_4245380	404.867	RDMNVKDNCJYPDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126127
Clc1ccc(O[C@@H](C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_1679803	404.867	RDMNVKDNCJYPDG-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126128
Clc1ccc(O[C@H](C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_5563274	404.867	RDMNVKDNCJYPDG-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-126129
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(c1)C#N	PC-id_8976267	404.867	LNLRBHFJXSUXAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126130
Clc1c(OCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc(cc1)C	PC-id_7570368	404.867	SHNBHIVCIDXPFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126131
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2	ZINC22_6643909,PC-id_6213270,CoCoCo_2939057	404.867	HLWWRVSZRBFHNZ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126132
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)sc2c1CCC2	ZINC22_3284317,PC-id_2399858,CoCoCo_2939344	404.867	MBLWAKINRVFRQX-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126133
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_6065043,CoCoCo_3049695,PC-id_6283556	404.867	ZFIJHDMWXINTPB-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126134
O=C(/C=Cc1ccccc1Cl)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2939058	404.867	HLWWRVSZRBFHNZ-HJWRWDBZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126135
O=C(/C=Cc1cccc(c1)Cl)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2939345	404.867	MBLWAKINRVFRQX-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126136
O=C(/C=Cc1ccc(cc1)Cl)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3049696	404.867	ZFIJHDMWXINTPB-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126137
Clc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2nc3CCCc3s2)C1=O	MCULE-1994147736,STOCK7S-50273,ZINC22_170625559,EMOLS-id_50231441	404.871	PJXMSCCBCLNMPR-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126138
N1(Cc2ccccc2Cl)C(=O)C(N=C1O)CC(=O)Nc1sc2c(CCC2)n1	PC-id_91640416,MCULE-9988007337,EMOLS-id_301183431,EMOLS-id_54880041	404.871	PJXMSCCBCLNMPR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126139
O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)Nc1nc2c(s1)CCC2	ZINC22_252540520	404.871	PJXMSCCBCLNMPR-CYBMUJFWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126140
ClCc1ccc(cc1)C(=O)Nc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)CC	SCHEMBL18471598	404.89	GMSRNZFCUOYNOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126141
CC(C)(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccccc1Cl	PC-id_134797953	404.894	OXWIPNDVTOQVOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126142
CC(C)(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCc1ccc(cc1)Cl	PC-id_134800646	404.894	UBPCSFVRPVUHMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126143
CC(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCCc1ccc(cc1)Cl	PC-id_134790503	404.894	QVYQSHFSPPLEAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126144
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2sccn2)cc1	PC-id_16947449	404.894	WSERZZVWWGDIPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126145
c1(C(=O)c2ccc(cc2)Cl)c2CCCc2sc1NC(=O)CN1CCOCC1	MCULE-1202032721,ZINC22_20120901,EMOLS-id_6579989,PC-id_1431977,ASN-05340619	404.91	GTHBDHUBRNZFIY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126146
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332836,MCULE-6154334143	404.91	UZQSPSMDUCJDNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126147
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334116,MCULE-2540837892	404.91	QQCCMLHCQUMAEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126148
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334336161,MCULE-8236812175	404.91	JRQLVGQSXGJMCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126149
Clc1c(C(=O)c2c3CCCc3sc2NC(=O)CN2CCOCC2)cccc1	PC-id_1455692	404.91	JWXUARXKSLUHLT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126150
Clc1ccc(OCC[NH+](CCC(=O)Nc2sc3c(CCC3)c2C#N)C)cc1	PC-id_30101097	404.934	BYQADJMWAKORLM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126151
Clc1c(NC(=O)C[NH+]2CCN(CC2)C(=O)c2sc3c(CCC3)c2)cccc1	GD-id_ZINC08243817,PC-id_9372126	404.934	QOBCUHVKQSUPOF-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-126152
Ic1sc(I)c2c1C(N)CC2=O	PC-id_391065	404.995	GVQQXGJMOHQFNH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126153
O=C1C[C@H](c2c1c(I)sc2I)N	CoCoCo_5756461	404.995	GVQQXGJMOHQFNH-UWTATZPHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126154
O=C1C[C@@H](c2c1c(I)sc2I)N	CoCoCo_5756462	404.995	GVQQXGJMOHQFNH-REOHCLBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126155
C1CC2=C(C1)SC(=N2)NC(=O)C3CCN(C3=O)C4=CC=CC=C4Br	PC-id_154806244	405.015	RKOJUFLBHHESKZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126156
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3Cl)S(=O)C4=CNN=C4	PC-id_164872125	405.066	KNFBSAFPHUGJAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126157
C1C(OC2=NC=CN21)(COC3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-]	PC-id_153906128	405.094	SWZVEIZZUMBMSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126158
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3)O)SC4=CN(N=C4)CC(F)F	PC-id_164872245	405.107	IYTCXOXBRQJJHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126159
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)C3=CN(N=C3)CC(F)(F)F	PC-id_164871990	405.108	AZLOIOZQYGTHSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126160
CCCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)OC)S(=O)(=O)C	PC-id_154382828	405.125	FHRIDMZUKGMVIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126161
CCCNC(=O)C(=O)C1=C2CCCN2C(=C1C)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_153559549	405.126	SZKBIAHNBQAWQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126162
CC1=NC=C(N1C2=CC=CC=N2)C(=O)NC(CC3=COC4=CCC=C43)C(=O)C(=O)N	PC-id_161109617	405.144	UJNBKQSVHIRNSK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-126163
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331017140,MCULE-5049738353	405.228	WYVUGOMXNRLIBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126164
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331017396,MCULE-6889587950	405.228	RGKVEHHNHYBBNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126165
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-5390531775,EMOLS-id_331014834	405.228	XUUXYZLSAUGHRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126166
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-5562391290,EMOLS-id_331014578	405.228	GOUNSQMIJBSNOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126167
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-3271622939,EMOLS-id_331016884	405.228	NZFWBLTZKQOOSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126168
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-9440639037,EMOLS-id_331014326	405.228	BZAJFPUBBJCURY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126169
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-4657154131,EMOLS-id_331017652	405.228	WHRFKJJHLLJRQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126170
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1CBr	MCULE-5415643258,EMOLS-id_331014582	405.228	CRSWQRFYWBCGFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126171
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1CBr	EMOLS-id_331018165,MCULE-2364923625	405.228	QBACPVNMEIVQPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126172
CCOC(=O)c1n(C(=O)OC(C)(C)C)c(c2c1CCC2)I	SCHEMBL19318752	405.228	PJVFQFQLXUZBFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126173
C1Cc2c(C1)n(nc2C(=O)Nc1cc(ncc1)F)Cc1c(cc(cc1)Cl)Cl	PC-id_137660808	405.253	WSIFAOHAIQTZED-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126174
Brc1c(c2oc(nn2)COC(=O)c2sc3CCCc3c2)cccc1	PC-id_7623698	405.266	XCNKDPAFEHAGNA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126175
Brc1ccc(c2oc(nn2)COC(=O)c2sc3CCCc3c2)cc1	PC-id_7291870	405.266	XTDKNVFUEBUURJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126176
Brc1ccc(cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	ChEMBL-DNDi_CHEMBLF3099-0079,EMOLS-id_5642874,PC-id_1646669,MCULE-5968335373,ZINC22_1917346	405.266	AQJLWBVVJQFHQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126177
Brc1ccccc1C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_1646668,MCULE-7465970374,CoCoCo_3030767,ZINC22_1917345,EMOLS-id_3069023	405.266	JYZRAHCFELFTND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126178
Brc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_1662557	405.266	FMYUHWVLEKKICP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126179
ClCCCC(=O)Nc1c(n2c(CCC2)c1C#N)C(=O)Nc1ccc(Cl)cc1	PC-id_76319209	405.278	KYZSFEOIBKCFEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126180
Cn1nc2c(c1NC(=O)CCc1ncc(c3ccc(Cl)cc3Cl)o1)CCC2	ZINC22_58414946,PC-id_47833985,MCULE-6465058039,EMOLS-id_33361771	405.278	TVUDVPQEZQZDQA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126181
Clc1c(c2oc(C=Nc3sc4c(CCC4)c3C(=O)N)cc2)cccc1Cl	PC-id_50886173	405.298	ZBFHJKSHLFNQFZ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-126182
Clc1ccc(cc1)C(=O)c1c(NCc2ccc(nc2)Cl)nc2n1CCS2	PC-id_139835816	405.301	VIXAPETXMZKTAO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126183
Brc1cc(C=Nc2sc3CCCc3c2C#N)cc(OC)c1OCC	PC-id_50886458	405.309	SIICCHZOZNIZHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126184
Brc1c(OCC(=O)Nc2sc3CCCc3c2C#N)c(cc(c1)C)C	PC-id_4511742	405.309	AVDWLHPQVVOWGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126185
c1(c(C)cc(Br)cc1C)OCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327833065,MCULE-9293542885	405.309	VREWVNZZKQBZLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126186
CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_17098613,ZINC22_21595466	405.309	GYZQHEFMCIITSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126187
C(C(F)(F)F)(C(F)(F)F)(NC(=O)OC)Nc1sc2c(CCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL3448-8327,ZINC22_4177288,TIMTEC550853,EMOLS-id_6867456,PC-id_4144769,CoCoCo_1743940,MCULE-3189276154	405.316	XMGYJVVHTUUIQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126188
FC(F)(F)c1ccc(c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1229169,PC-id_50913189	405.327	LEYAILDYSKNETJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126189
Brc1ccc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc1	PC-id_2698753	405.332	DGSPLYIDFFJLTP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126190
Brc1c(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cccc1	PC-id_40652832	405.332	SRHSGZKDJGNJNO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126191
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1766890,ZINC22_2734364,Chemmine_7436,TIMTEC193246,MCULE-9402363676,PC-id_2162739,CoCoCo_684172	405.339	HJMOUVAIHIUUCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126192
CC1(Cn2cc(nc2S1=O)[N+](=O)[O-])COCc1ccc(cc1)OC(F)(F)F	PC-id_137652490	405.349	XNLFZORWVJHMHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126193
S(=O)(=O)(c1cc([N+](=O)[O-])c(NCCc2n3CCCc3nn2)cc1)C(F)(F)F	PC-id_78857911	405.352	RRJUQDXXYQDCJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126194
c1(C(F)F)c2CCCc2n(CC(=O)NCCCn2c(C)cc(C(F)(F)F)n2)n1	ZINC22_36614179,MCULE-7538888203,PC-id_19591210,EMOLS-id_8867962,TIMTEC258898	405.366	KEMWTLZEKQSVRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126195
Fc1ccc(Cc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324835583	405.369	YVMSJGPEVLCVMO-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126196
Fc1ccc(Cc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324836095	405.369	ZVMPQJRGHYGGJY-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126197
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)Cc1ccc(F)cc1	MCULE-4922924421	405.369	ZVMPQJRGHYGGJY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126198
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)Cc1ccc(F)cc1	MCULE-6890603416	405.369	YVMSJGPEVLCVMO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126199
N#CCCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C(=O)O)C(=O)N)CCC#N	SCHEMBL14342442,PC-id_58776932	405.37	HVCBUNUATRKUHG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126200
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C(=O)OC	MCULE-8816788346,PC-id_1684197	405.382	GCNSJIISHQNLPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126201
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-2095939175,EMOLS-id_328018565,PC-id_1637649	405.382	MQVBFPVHFJGGNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126202
c1(NC(=O)c2ccc(cc2N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	STOCK3S-80031,ZINC22_2249492,EMOLS-id_3743438,MCULE-4604433014,CoCoCo_1721514,SPECS-id_AE-848/34328022,PC-id_1877879	405.382	NKLOEXVMHMCGID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126203
s1c2c(CCC2)c(c1NC(=O)Cn1c(=O)c(cc([N+](=O)[O-])c1)C(=O)N)C(=O)N	PC-id_39037355	405.385	KOYKWHXFGGZXOM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126204
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1C(=O)O)N(=O)=O	EMOLS-id_328216694,MCULE-9234434018	405.403	XMLRESPAXOYXDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126205
CC1=C(C(=Nc2c(cc(cc2)O)NCOc2ccccc2)n2c1nc(n2)C)C(=O)O	SCHEMBL14342451,PC-id_136192835	405.407	OPMDYHCIERQGPD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126206
Cc1nn2c(c(c(=C)c2n1)C(=O)O)Nc1c(cc(cc1)O)NCOc1ccccc1	PC-id_91098061	405.407	SPHBFVOTAGPRMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126207
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	SCHEMBL2915649,PC-id_68439688	405.407	VREKKCMOZVSGGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126208
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	SCHEMBL2922321,PC-id_68441930	405.407	ZWOGQHOWZDNWFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126209
COc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NC(=O)c1ccccc1	SCHEMBL2919174,PC-id_68440843	405.407	HNKBQAPPGYPXJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126210
O=C(N1Cc2c([nH]nc2NC(=O)COc2ccccc2)C1)NC(=O)c1ccccc1	SCHEMBL2913545,PC-id_68438794	405.407	PRBAKSMOQJCBEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126211
O=C(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)OCC)C1)c1ccncc1	PC-id_71477721	405.407	KTDYZTZXQJAXDZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126212
Cn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1C(F)(F)F	PC-id_5213810,SCHEMBL21045316,EMOLS-id_13406009,CoCoCo_3129707,ZINC22_7197938,MCULE-4573853387	405.418	ASUPFSJCGUWHRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126213
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(O)cc2O)sc2c1CCC2	PC-id_7870702,CoCoCo_3135522,ZINC22_6080809,EMOLS-id_19415871,MCULE-2615777749	405.422	BHUWNTNXNOHCNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126214
COC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)cc2O)sc2c1CCC2	PC-id_24380477,ZINC22_20863587,EMOLS-id_35678802,MCULE-6770583223	405.422	QFXIHWKRJSPPEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126215
NC(=O)[C@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12)c1ccc(F)cc1	ZINC22_2325876500	405.422	XWMKJJYIDXWQPB-FXAWDEMLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126216
NC(=O)[C@@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12)c1ccc(F)cc1	ZINC22_2325876501	405.422	XWMKJJYIDXWQPB-PXNSSMCTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126217
NC(=O)[C@@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12)c1ccc(F)cc1	ZINC22_2325876502	405.422	XWMKJJYIDXWQPB-XLIONFOSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126218
NC(=O)[C@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12)c1ccc(F)cc1	ZINC22_2325876503	405.422	XWMKJJYIDXWQPB-YLJYHZDGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126219
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)ccc1O)C(=O)OC	PC-id_7429794	405.422	ITYIHYLKUOGVIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126220
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)c(OC)ccc1)C(=O)OC	PC-id_45634237	405.422	WGXGEDXZYMNESM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126221
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N(CCO)CCO)(C)C)cc1	PC-id_10069839	405.423	NBDLUBJWIKVZNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126222
c1(NC(=O)c2cc(OC)c(cc2N(=O)=O)OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328799,MCULE-6698439169	405.425	CLFRSLSSCRHPPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126223
Cc1ncc(s1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cnn2CC(F)F)N	SCHEMBL20392576,PC-id_135234294	405.425	FRWGUKNSOITVOB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-126224
Cc1ncc(s1)c1ccc(N)c(NC(=O)N2Cc3cn(CC(F)F)nc3C2)n1	SCHEMBL20392525,PC-id_135234248,BindingDB-id_961272	405.425	FYCAFJROYNECBB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-126225
CCOC(=O)c1c(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])sc2c1CCC2	ZINC22_3414234,CoCoCo_3114661,EMOLS-id_15241102,PC-id_4579332,MCULE-8480388786	405.425	KPUGJGJBRBXDAG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126226
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(NCCO)cc1)C(=O)OC	PC-id_23934978	405.425	NVUWQARJFJUGEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126227
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(C(=O)C1=O)CC=C)C(=O)OCC	PC-id_7807269	405.425	PSTRQGNVFCVNGX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126228
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNC(=O)c1occc1)C(=O)N	PC-id_7909008	405.425	NRYHIHDCICLYDM-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-126229
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1occc1)C)C(=O)N	PC-id_51900014	405.425	KXONXWAAGKVQTJ-SECBINFHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-126230
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1occc1)C)C(=O)N	PC-id_7631345	405.425	KXONXWAAGKVQTJ-VIFPVBQESA-N	00000010101000000000000010000000000000000000000000000000	25-01-126231
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)C)C(=O)N	PC-id_45628357	405.425	KXONXWAAGKVQTJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-126232
CCCC(C(=O)NOC1CCn2c1ncc2)N(CC)C(=O)NOS(=O)(=O)O	PC-id_90228944	405.427	LOVSIJJGSBXRKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126233
CCC[C@H](N(C(=O)NOS(=O)(=O)O)CC)C(=O)NOC1CCn2c1ncc2	SCHEMBL15808302	405.427	LOVSIJJGSBXRKR-VUWPPUDQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126234
c1(NC(=O)COc2nonc2CC(=O)NCCCO)sc2CCCc2c1C#N	MCULE-2222578492,EMOLS-id_333684817	405.428	ZWAFBZPHXYGUOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126235
c1(NC(=O)COc2nonc2CC(=O)NCC(C)O)sc2CCCc2c1C#N	MCULE-5789027301,EMOLS-id_333687888	405.428	NSCITQGKPUNHRO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126236
c1(NC(=O)COc2nonc2CC(=O)N(C)CCO)sc2CCCc2c1C#N	MCULE-9448677283,EMOLS-id_333689384	405.428	GNMZAWSUZQJTAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126237
c1(NC(=O)COc2nonc2CC(=O)NCCOC)sc2CCCc2c1C#N	MCULE-4619618986,EMOLS-id_333680991	405.428	HSIXXFUXCKHDDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126238
c1(NC(=O)COc2nonc2C(=O)N(CC)CCO)sc2CCCc2c1C#N	EMOLS-id_333661387,MCULE-2455995705	405.428	SPTSOEGYUWPSRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126239
c1(NC(=O)COc2nonc2C(=O)NCCCOC)sc2CCCc2c1C#N	MCULE-5286420592,EMOLS-id_333714491	405.428	JGHGPUBUVSTLFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126240
S1Cc2c(nn(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)NCCOC)C1	PC-id_44053007	405.428	MRCLBTYOWLITMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126241
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])ccc2)CC(=O)NCCOC)C1	PC-id_44053006	405.428	NQDFQSUOLBKILK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126242
S1Cc2c(nn(c2NC(=O)c2c([N+](=O)[O-])cccc2)CC(=O)NCCOC)C1	PC-id_44053005	405.428	DQYLAEKWTOIKNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126243
s1c2c(CCC2)c(c1Nc1nc(N2CCOCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127566	405.432	VDMFHLCMIITCLE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-126244
Cc1cc(cc(c1N(C)[Si](C)C1C(=C(c2c1scc2)C)C)C)Br	PC-id_91074903	405.447	QKHSBPODIDPOMF-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126264
c1(C(F)(F)F)c2CCCc2n(CCCNS(=O)(=O)c2cn(nc2C)CC)n1	EMOLS-id_8869566,MCULE-5953730108,PC-id_19614864,ZINC22_36614881	405.438	JSOSUTUBWNKOLR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126245
c1(C(F)(F)F)c2CCCc2nn1CCCNS(=O)(=O)c1cn(nc1C)CC	MCULE-6989069976,TIMTEC137271,EMOLS-id_8869556,ZINC22_36614876,PC-id_19614859	405.438	DYVZNKGIUNDQMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126246
CCCc1c(nc2n1CC(O2)COc1ccc(cc1)C1(CC(C1)(F)F)C)C(=O)N	PC-id_86342475	405.438	AUTQCCJDUOLTEM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-126247
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(F)cc1)C(=O)OCC	PC-id_7758886	405.44	MGTUMRIPFHFZBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126248
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(F)ccc1)C(=O)OCC	PC-id_8589773	405.44	MHARLKUSRFWMRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126249
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(F)cccc1)C(=O)OCC	PC-id_8661224	405.44	KUFQWXPFVFKOES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126250
C=CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_45970884,ZINC22_27023230	405.445	ZAWJXYWJYMOOQB-ZMLBWKPJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126251
C=CCOc1ccc(/C=c/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1	ZINC22_16779422	405.445	ZAWJXYWJYMOOQB-DXGLHLNISA-N	00000000100000110001000010000000000000000000000000000000	25-01-126252
CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C	SCHEMBL3327434,BindingDB_PC-id_59333948,BindingDB-id_546059,PC-id_59333948	405.445	IQSHZZYSJWFHLL-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-126253
CN=C(NC1CCN(C1)c1ccccc1OC(F)F)NCc1nnc2n1CCC2	PC-id_111921313	405.445	YAFUWFJSQPIRCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126254
COc1ccccc1/C=CC=c/1sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O	ZINC22_16741586,EMOLS-id_45965573	405.445	AKYSVJLRMJGABI-MKCVVMPVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126255
COc1ccccc1/C=C/C=c/1sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O	ZINC22_39835540	405.445	AKYSVJLRMJGABI-IDAPHMENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126256
COCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1F	PC-id_91960079	405.445	JCMJHBQKHALGOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126257
n12nc(nc1sc(=Cc1ccccc1OCC=C)c2=O)C=Cc1ccc(cc1)F	MCULE-5653843287	405.445	YCITYALDISPDKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126258
n12nc(nc1sc(=Cc1ccc(cc1)OCC=C)c2=O)C=Cc1ccc(cc1)F	MCULE-9273899239	405.445	ZAWJXYWJYMOOQB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126259
n12nc(nc1sc(=CC=Cc1ccccc1OC)c2=O)C=Cc1ccc(cc1)F	MCULE-4397106524	405.445	AKYSVJLRMJGABI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126260
Cc1cc(c(c(c1)Br)N(C1C(=C(c2c1scc2)C)C)[Si](C)C)C	PC-id_90933042	405.447	DYSGTXZGUVTSAQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126261
Cc1cc(c(c(c1)Br)N(C)[Si](C)C1C(=C(c2c1scc2)C)C)C	PC-id_90944207	405.447	UUGKYNLEMRGWLC-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126262
Cc1cc(cc(c1N(C1C(=C(c2c1scc2)C)C)[Si](C)C)C)Br	PC-id_91025390	405.447	QCNLEJGBUNIYQH-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126263
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1occc1)C(=O)OC	PC-id_3519171	405.448	UOKPQNUGLPFDRH-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-126265
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)c1ccc(cc1C)OC	MCULE-7669529856,EMOLS-id_207863128	405.45	IHQINMJHQCVRCI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126266
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)COc1cccc(C)c1	EMOLS-id_207863152,MCULE-9707039390	405.45	KYLWUJHNZBNPBR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126267
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)Cc3ccc(cc3)OC)Cc12	MCULE-9002888105,EMOLS-id_316319551	405.45	HLHUSILFJIFAHM-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126268
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)COc3cccc(C)c3)Cc12	EMOLS-id_316320572,MCULE-3008616730	405.45	GSTFXIIRNDRNBQ-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126269
COc1ccc(cc1)CC(=O)NC1Cn2c(C1)c(cn2)C(=O)NCc1cccnc1	MCULE-1378097393	405.45	HLHUSILFJIFAHM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126270
O=C(NC1Cc2n(C1)ncc2C(=O)NCc1cccnc1)COc1cccc(c1)C	MCULE-3771072360	405.45	GSTFXIIRNDRNBQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126271
c1(C(=O)N2CCCN(CC2)c2ncccn2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-6522726708,EMOLS-id_316252664	405.453	HXUVIEBNYNDWRX-SFHVURJKSA-N	00000010100000101101100010000000000000000000000000000000	25-01-126272
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)N1CCCN(CC1)c1ncccn1	MCULE-1151409129	405.453	HXUVIEBNYNDWRX-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-126273
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)N1CCCN(CC1)c1ncccn1	MCULE-7265137952	405.453	LKZBTMBZJVIBKH-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-126274
O(CCN(c1cc(c(/N=C/n3c(nnc3C)C(=C2[N+]#[C-])C#N)cc1)C)CC)CCO	PC-id_21351164	405.453	ZTZRCEIMAWQLMG-DARPEHSRSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126275
O=C(N1CCCN(CC1)c1ncccn1)c1cc2C[C@@H](Cn2n1)Oc1ccncc1	EMOLS-id_316325692,MCULE-1159921858	405.453	LKZBTMBZJVIBKH-SFHVURJKSA-N	00000010100000101101100010000000000000000000000000000000	25-01-126276
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1ccc(cc1)C(F)(F)F	PC-id_92109925	405.457	IOXBPWNEMAZBAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126277
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cc1cccc(c1)C(F)(F)F	PC-id_92109926	405.457	BFDLQMKOLXWIIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126278
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	TIMTEC594252,CoCoCo_96905,ZINC22_851315,PC-id_1115914,STOCK2S-64564,EMOLS-id_1244112,MCULE-3844092470,BAS-00572138	405.465	ZIOHKVPQQHCYRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126279
COCc1c(NC(=O)COc2ccc(cc2)OC)sc2c1C(CC2)C(=O)OC	PC-id_143029456	405.465	VKEWYXHGKQOZQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126280
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)OC(C)C)S(=O)(=O)C	PC-id_20235109,SCHEMBL10812318	405.465	ZYGQKHGNVWLMGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126281
COC(=O)c1c(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)sc2c1CCC2	PC-id_4282812,MCULE-8503051185,EMOLS-id_3145686,ZINC22_6077542,CoCoCo_3314590	405.465	HQVPIPVJDNDGSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126282
s1c2c(CCC2)c(c1NC(=O)COc1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_7713891	405.465	NDNAQYROUSXLKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126283
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2F)sc2c(CCC2)c1C#N	EMOLS-id_320677992,MCULE-3249740288	405.466	XJRMEPDIUAEJMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126284
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(F)cc2)sc2c(CCC2)c1C#N	EMOLS-id_320677736,MCULE-8108533358	405.466	ROMHWFGVCCYJJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126285
s1c2CCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1	PC-id_7487808	405.466	DDYKYGCUGJYOSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126286
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)OC	PC-id_4154805	405.466	HYZKECFNKVPGCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126287
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(F)cc1)C)C(=O)N	PC-id_9253539	405.466	MZFGCSYYZKZJAG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126288
c1(c2CCCc2sc1NC(=O)c1n(C)nc(C(=O)OCC)c1)C(=O)OC(C)C	MCULE-9203350594,CoCoCo_5808651,PC-id_4765151	405.468	HHOMCQFNYMTZRG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126289
c1(oc(C)cc(=O)c1O)C1(CCOCC1)CC(=O)NCc1cn2c(SCC2)n1	PC-id_135638642,MCULE-8010776473,EMOLS-id_313519171,CNP0175497,STOCK1N-98278,ZINC22_1547138821	405.468	SWCKNFWNZWNDIM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-126290
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCC3)c(=O)n(C)c1=O	EMOLS-id_11664427,MCULE-6295603940,PC-id_4015595,ZINC22_6049642,CoCoCo_2840825	405.468	QPQKPQLAWNSVAB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126291
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1onc2CCCc12	MCULE-6059992453,ZINC22_8976510,CoCoCo_5123874,EMOLS-id_12336709,PC-id_16828683	405.468	MNGZXXKEJVSJCP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126292
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(onc1C)C(C)C)C)C(=O)N	PC-id_8959023	405.468	DDUQDZVRXBPURI-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-126293
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(onc1C)C(C)C)C)C(=O)N	PC-id_8959024	405.468	DDUQDZVRXBPURI-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126294
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1c(onc1C)C)C)C(=O)N	PC-id_8458620	405.468	PZGDMADWCLARSM-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-126295
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1c(onc1C)C)C)C(=O)N	PC-id_8458623	405.468	PZGDMADWCLARSM-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126296
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(onc1C)C(C)C)C)C(=O)N	PC-id_84884020	405.468	DDUQDZVRXBPURI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126297
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1c(onc1C)C)C)C(=O)N	PC-id_78702445	405.468	PZGDMADWCLARSM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126298
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCOC	PC-id_16947999	405.468	LPIVSXLCLKPGRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126299
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)NC(=O)N	EMOLS-id_16344686,MCULE-8583667888,PC-id_7195563,CoCoCo_2580158,ZINC22_4335459	405.47	VSJSNICALATHCK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-126300
c1(N=Cc2cc(ccc2O)N=Nc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-7692547688,PC-id_136234995	405.47	JOYNTCNCDSYORA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126301
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OC	EMOLS-id_324915978	405.47	WBGVXJOYMUSXAL-LBUQAHFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126302
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1O	EMOLS-id_324918541	405.47	MJOAQIPNUIJWGU-YOAWELAASA-N	00000000100000110001000010000000000000000000000000000000	25-01-126303
CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(OC)cc3)nn2c1=O	EMOLS-id_45970356,ZINC22_27022228	405.47	VAZBCZINXYWVER-ANMLQGLPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126304
CCOc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(OC)cc3)nn2c1=O	ZINC22_16807435	405.47	VAZBCZINXYWVER-NIEGGPFSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126305
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_45970136,ZINC22_27021627	405.47	ILFQSVHTVUQWFV-LBUQAHFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126306
CCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	ZINC22_16807420	405.47	ILFQSVHTVUQWFV-ZLINDNQKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126307
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)cc4)nn3c2=O)cc1	EMOLS-id_45970498,ZINC22_27022522	405.47	ONJBHFBELCHEDT-ILPOUQNUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126308
CCOc1cccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1O	EMOLS-id_324919296	405.47	MZLHQQUHEZFMMR-FEYWXZCKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126309
COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_324917005	405.47	UQXATFTXVSMERN-YOAWELAASA-N	00000000100000110001000010000000000000000000000000000000	25-01-126310
COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c(OC)c1	EMOLS-id_45966215,ZINC22_4318632	405.47	LJHIYKFZCHZYIM-NTCPEWOASA-N	00000000100000110001000010000000000000000000000000000000	25-01-126311
COc1ccc(/C=c/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c(OC)c1	ZINC22_39835412	405.47	LJHIYKFZCHZYIM-GGNBMFIYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126312
COc1cccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1OC	ZINC22_16750613,EMOLS-id_45965901	405.47	CFNZARHXASTLTQ-FEYWXZCKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126313
COc1cccc(/C=c/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1OC	ZINC22_39835422	405.47	CFNZARHXASTLTQ-RZMWGWOTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126314
COc1ccc(OC)c(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_45964883,ZINC22_4318641	405.47	ICUAPDBMMBDYCR-SSZQZOOLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126315
COC(=O)c1c2CCCc2sc1/N=C/c1cc(ccc1O)/N=N/c1ccccc1	CoCoCo_5818645,TIMTEC244800,EMOLS-id_26497691,ZINC22_5511257	405.47	JOYNTCNCDSYORA-JLUADYMRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126316
COC(=O)c1c(/N=Cc2cc(/N=Nc3ccccc3)ccc2O)sc2c1CCC2	CoCoCo_5818646	405.47	JOYNTCNCDSYORA-XCXDIIKJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126317
COC(=O)c1c(/N=Cc2cc(/N=N/c3ccccc3)ccc2O)sc2c1CCC2	CoCoCo_5818647	405.47	JOYNTCNCDSYORA-DNOSGRFASA-N	00000010100000110000000010000000000000000000000000000000	25-01-126318
COC(=O)c1c(/N=C/c2cc(/N=Nc3ccccc3)ccc2O)sc2c1CCC2	CoCoCo_5818648	405.47	JOYNTCNCDSYORA-NWZRMBKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126319
COC(=O)c1c(sc2c1CCC2)/N=C/c1c(ccc(c1)N=Nc1ccccc1)O	PC-id_135620097	405.47	JOYNTCNCDSYORA-HDHBNIKFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126320
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-2263355859	405.47	YRMNJCGRIQESQL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126321
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-2452583181	405.47	ONJBHFBELCHEDT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126322
n12nc(nc1sc(=Cc1ccccc1OCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-7598918905	405.47	VAZBCZINXYWVER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126323
n12nc(nc1sc(=Cc1ccc(cc1OC)OC)c2=O)C=Cc1ccc(cc1)C	MCULE-8434386957	405.47	LJHIYKFZCHZYIM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126324
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)C=Cc1ccc(cc1)C	MCULE-1404459418	405.47	UQXATFTXVSMERN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126325
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)C=Cc1ccc(cc1)C	MCULE-3180784182	405.47	CFNZARHXASTLTQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126326
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)C=Cc1ccccc1	MCULE-2743046305	405.47	ILFQSVHTVUQWFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126327
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)C=Cc1ccc(cc1)C	MCULE-2860091426	405.47	MZLHQQUHEZFMMR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126328
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)C=Cc1ccccc1	MCULE-6176621206	405.47	WBGVXJOYMUSXAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126329
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-6011354948	405.47	MJOAQIPNUIJWGU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126330
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)C=Cc1ccc(cc1)C	MCULE-1857351365	405.47	ICUAPDBMMBDYCR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126331
OC[C@@]1(CC1NC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2)c1ccccc1	PC-id_142105683	405.47	JZTIHMOTDXFNQB-ALBKIHFDSA-N	00100010110000110000100010000000000000000000000000000000	25-01-126332
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	PC-id_24658900	405.47	CNJZAQARSUOTOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126333
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	PC-id_4437337	405.47	SKHVTMKVLCVLRP-OCOZRVBESA-N	00000010100000110000000010000000000000000000000000000000	25-01-126334
s1c2CCCc2c(c1/N=C/C1=C/C(=N/Nc2ccccc2)/C=CC1=O)C(=O)OC	PC-id_19577539	405.47	OLAJCKAGIUWGJN-IYYRDMJGSA-N	00000010100011110000000010000000000000000000000000000000	25-01-126335
s1c2CCCc2c(c1N=CC1=CC(=NNc2ccccc2)C=CC1=O)C(=O)OC	PC-id_40541085	405.47	OLAJCKAGIUWGJN-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-126336
s1c2CCCc2c(c1N=CC1=C/C(=N/Nc2ccccc2)/C=CC1=O)C(=O)OC	PC-id_72183690	405.47	OLAJCKAGIUWGJN-RRQQDHENSA-N	00000010100011110000000010000000000000000000000000000000	25-01-126337
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_16947099	405.47	MJSBQDSCSGCLHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126338
s1c2c(CCC2)c(c1Nc1nc(NCCC(C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127541	405.475	YEUDGEOFDNWKAC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126339
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(F)c(OC)cc1)CC)C(=O)N	PC-id_9349276	405.486	VXOWBVHPCMLFRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126340
s1c2c(CCC2)c(c1NC(=O)CN(CCCOc1ccc(F)cc1)C)C(=O)N	PC-id_37452584	405.486	NFRWUBGZHKNDAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126341
s1c2c(CCC2)c(c1NC(=O)C(N(CCOc1ccc(F)cc1)C)C)C(=O)N	PC-id_24507644	405.486	ZSXWFJXCVXJYQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126342
s1c2c(CCC2)c(c1NC(=O)C(N(CCOc1cc(F)ccc1)C)C)C(=O)N	PC-id_55839762	405.486	ZUDAXFIHMFXHIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126343
CC(C)(C)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_45970874,ZINC22_27023216	405.488	CGHWWCXUYDOKNX-ILPOUQNUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126344
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C=Cc1ccc(cc1)F	MCULE-4143510850	405.488	CGHWWCXUYDOKNX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126345
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc2CCCc2c1)C(=O)OC	PC-id_16505601	405.488	NWALXLZTNNSFEL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126346
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccsc1)C(=O)OCC	PC-id_7549915	405.488	KMDAZUNWIKDERG-VOTSOKGWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126347
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccsc1)C(=O)OCC	PC-id_78501211	405.488	KMDAZUNWIKDERG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126348
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1sccc1)C(=O)OCC	PC-id_78744793	405.488	HEINEGYHQQOCHN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126349
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1sccc1)C(=O)OCC	PC-id_8648305	405.488	HEINEGYHQQOCHN-CMDGGOBGSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126350
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1ccccc1)C(=O)OC	PC-id_24382888	405.488	SJKZUFIXDCORFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126351
CC1(COc2ccc(cc2)N2CCC(CC2)Oc2ccccc2)Cn2c(O1)ncc2	SCHEMBL12019591,PC-id_68198346	405.489	FXLLJOZKMROWCK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126352
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(C)C)sc2CCCc2c1C#N	MCULE-4367719414,EMOLS-id_333773650	405.491	HGOGIQGXUOGLRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126353
c1(NC(=O)C(=O)NN=Cc2sccc2C)sc2c(CCC2)c1C(=O)OCC	MCULE-7278893874,PC-id_2005191	405.491	ZBQYEEBSLUXQFL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126354
c1(NC(=S)NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)N	ZINC22_5323355,MCULE-7438710026,STOCK5S-80531,PC-id_4910807,EMOLS-id_1780724	405.491	FVGTUNANEAHQAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126355
c1(NC(=S)NNC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_4508592,TIMTEC292645,MCULE-6686902559,CoCoCo_6797568,EMOLS-id_4084304	405.491	LQCBLGGOIALIEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126356
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)CNC(=O)C	PC-id_89237615,SCHEMBL14056250	405.491	OVUWCWMSEOMPNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126357
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CN(C1)C(=O)c1cccs1	PC-id_90511229	405.491	TWORZGDGYCYMOG-UHFFFAOYSA-N	00001010100100000001000010000000000000000000000000000000	25-01-126358
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2sccc2C)sc2c1CCC2	STOCK4S-41885,EMOLS-id_26340577,PC-id_6890026	405.491	ZBQYEEBSLUXQFL-DJKKODMXSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126359
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1OC	PC-id_9184854,ZINC22_8053537	405.491	CBQPKKRNCYIKLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126360
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	ZINC22_8053838,PC-id_9185134	405.491	VXIQXIOEPLOQCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126361
CCCCOc1ccc(cc1)C(=O)Nc1n(nc2c1CS(=O)(=O)C2)C(C)(C)C	PC-id_4127111,CoCoCo_2666488	405.511	ADGOCSTVOOSEIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126401
COc1cc(OC)cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_2533895,EMOLS-id_48944474,ZINC22_3414845,CoCoCo_3633655,MCULE-3838020093	405.491	SRUHISVJAYLRTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126362
O=C(c1cccc(c1)N1CCCS1(=O)=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_41372751,EMOLS-id_33340861,MCULE-4872687112	405.491	YVGDCOQMKRWWHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126363
O=C([C@@H](C(C)(C)C)NC(=O)O)N1CCC(CC1)CCN1Cc2n(C1=O)c(nc2)C	SCHEMBL6015076,PC-id_69636857	405.491	JRCREMWRAIDOHK-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126364
O=C(N1CCC(CC1)CCN1Cc2n(C1=O)c(nc2)C)C(NC(=O)O)C(C)(C)C	PC-id_23138401	405.491	JRCREMWRAIDOHK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126365
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NCC=C)ccc1	PC-id_27684876	405.491	FQEHFFGZHDFCOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126366
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1	PC-id_29652464	405.491	IAUZMEVRNQWBTC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-126367
c1(C(=O)NCCCN(CC)c2ccccc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316325176,MCULE-2422322959	405.493	DPSFDOXJRLUIGB-NRFANRHFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126368
c1(C(=O)NCCCN(CC)c2ccccc2)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-6634951213	405.493	DPSFDOXJRLUIGB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126369
c1(C(=O)NCCN(CC)Cc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316324670,MCULE-7235727893	405.493	JYXBNGNYPIOVOF-NRFANRHFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126370
c1(C(=O)N(CCN(C)C)Cc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-8132956037,EMOLS-id_316327728	405.493	MHATWLQBDZOPRG-NRFANRHFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126371
c1(C(=O)N(CCN(C)C)Cc2ccccc2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-6115004563	405.493	MHATWLQBDZOPRG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126372
CCN(Cc1ccccc1)CCNC(=O)c1cc2n(n1)CC(C2)Oc1ccncc1	MCULE-4632736307	405.493	JYXBNGNYPIOVOF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-126373
s1c2CCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(=O)[nH]n1)C#N	PC-id_78698989	405.494	ZXBBUIICQBEKNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126374
s1c2CCCc2c(c1NC(=O)CSc1n(C[C@H]2OCCC2)c(=O)[nH]n1)C#N	PC-id_8443123	405.494	ZXBBUIICQBEKNM-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-126375
s1c2CCCc2c(c1NC(=O)CSc1n(C[C@@H]2OCCC2)c(=O)[nH]n1)C#N	PC-id_8443135	405.494	ZXBBUIICQBEKNM-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126376
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CC(=O)OCC)C)C#N	PC-id_9387459	405.494	DZHFEYAWICUHLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126377
Cc1nc2scc(C)n2c1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_324917000	405.496	RCZOELMDNCXUPH-GMCRPGLXSA-N	00000000100000110001000110000000000000000000000000000000	25-01-126378
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)C=Cc1ccccc1	MCULE-6847419285	405.496	RCZOELMDNCXUPH-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-126379
FC(Sc1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)F	PC-id_92109914	405.505	XOMRBGYFNCKDGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126380
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCC2)c1C(=O)OCCC	PC-id_2932480,MCULE-8466094870,SPECS-id_AK-968/41025096,TIMTEC406761,EMOLS-id_2443861	405.508	QNLDFZYJVLUHMZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-126381
CCCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCC2	CoCoCo_902984,ZINC22_2109063,PC-id_1764237	405.508	QNLDFZYJVLUHMZ-LSDHHAIUSA-N	00000010100011000000000010000000000000000000000000000000	25-01-126382
CCCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCC2	CoCoCo_902985,ZINC22_2109068,PC-id_1764245	405.508	QNLDFZYJVLUHMZ-CABCVRRESA-N	00000010100011000000000010000000000000000000000000000000	25-01-126383
CCCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCC2	PC-id_1764240,CoCoCo_902982,ZINC22_2109065	405.508	QNLDFZYJVLUHMZ-HUUCEWRRSA-N	00000010100011000000000010000000000000000000000000000000	25-01-126384
CCCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCC2	PC-id_1764243,CoCoCo_902983,ZINC22_2109067	405.508	QNLDFZYJVLUHMZ-GJZGRUSLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-126385
c12CCCc1c(C(=O)OCC)c(NC(=O)C(c1ccccc1)c1ccccc1)s2	EMOLS-id_5367958,MCULE-3202780793,PC-id_5067723	405.509	VLTFRDPYNFBXJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126386
Cc1ccc(C(=O)c2c(NC(=O)OCc3ccccc3)sc3CCCc23)c(C)c1	EMOLS-id_331271017	405.509	YRFDAWBSCBSQMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126387
O=C(C(CC(=O)N1Cc2c(C1)csc2)Cc1ccccc1)OCc1ccccc1	PC-id_15337444,SCHEMBL8398022	405.509	CQMDWLZKYPKXNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126388
O=C([C@H](CC(=O)N1Cc2c(C1)csc2)Cc1ccccc1)OCc1ccccc1	SCHEMBL8399614,PC-id_15337445	405.509	CQMDWLZKYPKXNE-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126389
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_78464096	405.509	PVFDGXPSEWCIGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126390
s1c2CCCc2cc1C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1	PC-id_7238981	405.509	WOTSNHNSOFFAGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126391
s1c2CCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_7238700	405.509	PVFDGXPSEWCIGA-JOCHJYFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126392
s1c2CCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_7238701	405.509	PVFDGXPSEWCIGA-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126393
s1c2CCCc2c(c1N=Cc1ccc(OCc2ccccc2)cc1)C(=O)OCC	PC-id_23769044	405.509	UVRAQHHKUPMBGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126394
s1c2CCCc2c(c1N=Cc1cc(OCc2ccccc2)ccc1)C(=O)OCC	PC-id_23903582	405.509	WFMRVOFMKWACGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126395
s1c2CCCc2c(c1N=Cc1c(OCc2ccccc2)cccc1)C(=O)OCC	PC-id_24074458	405.509	KFUJMQFPMFLVHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126396
s1c2c(CCC2)c(c1NC(=O)c1ccc(Cc2ccccc2)cc1)C(=O)OCC	PC-id_4290326	405.509	HBNLPZHTBFOHFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126397
s1c2c(CCC2)c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_3389126	405.509	LRVABNXYJVLFAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126398
c1(NC(=O)c2ccc(c(OCC)c2)OCC)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-8076040977,EMOLS-id_5442499,PC-id_2050881	405.511	RWBKSWABHQPFKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126399
c1(NC(=O)COc2ccc(cc2)C(C)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_5077908,ChEMBL-DNDi_CHEMBL1735393,EMOLS-id_12136950,MCULE-6694282045,CoCoCo_5065648,PC-id_7484594	405.511	BSVOZIXLCQUOJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126400
CC(Oc1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC(C)C)S(=O)(=O)C)C	SCHEMBL17214281,PC-id_118479433	405.511	LAEMESTVTAKAJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126402
CCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1OCC	CoCoCo_4984934,PC-id_11877642,ZINC22_2456774	405.511	RWBKSWABHQPFKU-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126403
CCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1OCC	ZINC22_4105773,PC-id_11863393,CoCoCo_4984933	405.511	RWBKSWABHQPFKU-NDEPHWFRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126404
c12c(CCC1C(=O)Nc1ccc(cc1)C(C)C)sc(NC(=O)c1ccccc1)n2	PC-id_16947082,EMOLS-id_28193460,MCULE-9914777793	405.513	QBFATMQWUJPYRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126405
c12c(CCC1C(=O)NCCc1ccccc1)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947544,EMOLS-id_12347149,MCULE-4048565170	405.513	QERXCXWKTSIJTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126406
c1(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)c2CSCc2nn1C(C)(C)C	CoCoCo_4972666,MCULE-8195814815,ZINC22_4077250,PC-id_4533451,Chemmine_40087,EMOLS-id_5426255	405.513	BAQLFAMPPIMAKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126407
c1(NC(=O)c2cncc(C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4496844748,EMOLS-id_334331823	405.513	FISMSRXMKHVBJO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-126408
c1(NC(=O)C(=Cc2ccc(cc2)OCC)c2ccccc2)n(C)nc2CSCc12	MCULE-8107470131	405.513	LVFNVXHTBOKDCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126409
c1(NC(=O)CCc2oc(cn2)c2ccc(C(C)C)cc2)sc2c(CCC2)c1C#N	MCULE-1476317287,PC-id_108798122,EMOLS-id_182605782	405.513	GZSSSUCBPPCVLM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126410
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCCc2ccccc2)cc1	CoCoCo_5124818,PC-id_40946053,ZINC22_9132172	405.513	QERXCXWKTSIJTK-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126411
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCCc2ccccc2)cc1	PC-id_40946052,ZINC22_9132171,CoCoCo_5124819	405.513	QERXCXWKTSIJTK-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126412
Cc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1	EMOLS-id_324867075	405.513	UJRMUZDQUFJADJ-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126413
CCc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)c1	EMOLS-id_324888070	405.513	QXXQMBLWWZCJNJ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126414
CCc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)cc1	EMOLS-id_324882957	405.513	HIZKHXOTPQLDOF-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126415
CC(Cc1ccc(cc1)C(c1nn2c(n1)sc(=O)/c/2=Cc1ccc(cc1)O)C)C	PC-id_102484216	405.513	FKLMNGIKVKFFFC-DEDYPNTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126416
CC(C)c1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324853491	405.513	STPUKDVVBVUNQD-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126417
CC(C)c1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324872709	405.513	BIQOWUQUTQESMD-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126418
CC(C)c1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324874760	405.513	BELYNPZTYXAPEH-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126419
CC(C)c1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324880906	405.513	KVRJNGMBBIVICS-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126420
CC(C)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	ZINC22_9131262,PC-id_40945216,CoCoCo_5124708	405.513	QBFATMQWUJPYRF-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126421
CC(C)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	ZINC22_9131263,CoCoCo_5124709,PC-id_40945217	405.513	QBFATMQWUJPYRF-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126422
CC(C)(C)c1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324848890	405.513	NRSBUUOMEYMTJT-CYVLTUHYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126423
CCC(CC)c1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324854497	405.513	NRFYGMQMYIDAHD-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126424
CCCOc1cccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324907522	405.513	HFWHDQVVJNMSSE-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126425
CC(C)Oc1cccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324908546	405.513	KZSQMDUEODNODM-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126426
CCOc1ccc(/C=C(/C(=O)Nc2c3CSCc3nn2C)c2ccccc2)cc1	EMOLS-id_334561979	405.513	LVFNVXHTBOKDCD-CPNJWEJPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126427
n12c(=O)c(=Cc3cccc(c3)OCc3ccccc3)sc1nc(C(CC)CC)n2	MCULE-6206154672	405.513	NRFYGMQMYIDAHD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126428
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)COc1ccc(cc1)CC	MCULE-1956529950	405.513	HIZKHXOTPQLDOF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126429
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)COc1c(C)cccc1C	MCULE-6844351742	405.513	BIQOWUQUTQESMD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126430
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)COc1cc(C)ccc1C	MCULE-7266879846	405.513	KVRJNGMBBIVICS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126431
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)COc1cccc(C)c1C	MCULE-7747215234	405.513	BELYNPZTYXAPEH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126432
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCOc1ccccc1	MCULE-4262388533	405.513	NRSBUUOMEYMTJT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126433
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1ccc(cc1)C	MCULE-1045854289	405.513	UJRMUZDQUFJADJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126434
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)CCCOc1ccccc1	MCULE-5601714078	405.513	STPUKDVVBVUNQD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126435
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)COc1cccc(CC)c1	MCULE-4351570185	405.513	QXXQMBLWWZCJNJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126436
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCc1ccc(cc1)C	MCULE-3253679972	405.513	HFWHDQVVJNMSSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126437
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCc1ccc(cc1)C	MCULE-4413184214	405.513	KZSQMDUEODNODM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126438
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccccc1)Cc1occc1)C#N	PC-id_55482967	405.513	RCOMVDNYQHEHRU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-126439
s1c2c(CCC2)c(c1NC(=O)CNC(c1ccccc1)c1ccccc1)C(=O)N	PC-id_27158901	405.513	KJSZIDXNYIYWIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126440
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)CC	PC-id_16947559	405.513	CNBVQWJSFCFEBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126441
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(c(ccc1)C)C	PC-id_16947587	405.513	XJJJNYIJIQFIQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126442
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(cc(cc1)C)C	PC-id_16947588	405.513	GUKFQNFHWTXFAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126443
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(ccc(c1)C)C	PC-id_16947589	405.513	MOCHOHIFPIKXRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126444
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(c(cc1)C)C	PC-id_16947590	405.513	NILHJBRFLNAWPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126445
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(cccc1C)C	PC-id_16947591	405.513	HSCGJDGWBYFUOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126446
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(cc(c1)C)C	PC-id_16947592	405.513	LXODKPBHZANDPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126447
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(CC)cccc1	PC-id_16947558	405.513	QVJWVXDQSLNOBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126448
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCc1ccc(cc1)C	PC-id_16947536	405.513	SVVNJHBYAGRCKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126449
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NC(c1ccccc1)C	PC-id_16947538	405.513	OCRAGLDMEXHILA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126450
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(cc(cc1C)C)C	PC-id_16947128	405.513	BWDFTCQIJSFMTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126451
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCCc1ccccc1	PC-id_16947070	405.513	IMFXTYULLQLPMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126452
COCCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1	CoCoCo_4231547,MCULE-9218575763,EMOLS-id_13532113,PC-id_17567872,CoCoCo_4231546,ZINC22_23254000	405.514	LVJARTSQZAODKK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126453
NC(=O)c1c(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)sc2c1CCC2	ZINC22_22788446,PC-id_16360792,CoCoCo_4125556,CoCoCo_4125555,EMOLS-id_11805717,MCULE-3051643839	405.514	YZHDWMREHRFJPC-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-126454
s1c2CCCc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2sccn2)cc1	PC-id_16380444	405.514	BOHKFROJTQAYNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126455
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)Cc1noc(c1)C)C(=O)N	PC-id_9450945	405.514	KTXVPEOTVHKCKP-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-126456
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cnn(Cc2ccccc2)c1	PC-id_16344294,ZINC22_9641286,CoCoCo_4244947,EMOLS-id_3690859,CoCoCo_4244946,MCULE-4335118331	405.516	WRRZLQWPEFXEMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126457
CCNC(=NCc1nnc2n1CCC2)NC(c1nc(c(s1)C(=O)OCC)C)C	PC-id_109696735	405.518	BTYMKNCLLIISOR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126458
NC(=O)c1c(NC(=O)CSc2nnc(c3cccs3)[nH]2)sc2c1CCC2	ZINC22_8230695,PC-id_4375888	405.518	WIGYRCQXEVIMSF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-126459
CCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CC=C2C(=O)OCCCCCC	PC-id_70450179,SCHEMBL10816576	405.529	RVZQWIOWAGLPRH-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126460
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CC=C2C(=O)OCCCCC	SCHEMBL10817980,PC-id_70450622	405.529	NGHBCNDGRHEOEZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126461
CCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)C	SCHEMBL10998186	405.529	LCLUHQUGOXGQOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126462
CCCCCCCOC(=O)C1=CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)CC	PC-id_70449506,SCHEMBL10813823	405.529	IRUGAHUNSKMVOG-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126463
CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)c2cc3c(s2)CCC3)s1	CoCoCo_3892954,ZINC22_7427485,PC-id_8522600,EMOLS-id_11806965,MCULE-6703683272	405.531	JVHCFIHWDSXPFO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126464
CCOC(=O)c1c(NC(=O)CSCc2ccc(OC)cc2)sc2c1CCC2	ZINC22_408563497	405.531	ANTGFKFZVPFGBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126465
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)OC	PC-id_41086468	405.531	VQBHAKDWBDQFCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126466
s1c2c(CCC2)c(c1NC(=O)CCSc1ccc(OC)cc1)C(=O)OCC	PC-id_41324892	405.531	ZAWYAPBCNUHKOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126467
S1(=O)(=O)CC(N(Cc2ccc(OC)cc2)C(=O)c2sc3c(CCC3)c2)CC1	PC-id_78799272	405.531	FNXUETLZZDLWGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126468
n12CCC(C(=O)N3CCC(CC3)N3CCCCC3)c1ccc2C(=O)c1ccccc1	PC-id_46861250,MCULE-1107462656,EMOLS-id_31548198	405.533	YPDAUWKTCLMJPL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-126469
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCCC(C1)C(=O)N1CCCC1	MCULE-3966513608,EMOLS-id_328342417	405.533	KSJXLPFTTFKGDP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-126470
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCC(N2CCCCC2)CC1	ZINC22_51364399,PC-id_52340351	405.533	YPDAUWKTCLMJPL-NRFANRHFSA-N	00000010100010110000100010000000000000000000000000000000	25-01-126471
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCC(N2CCCCC2)CC1	ZINC22_51364400,PC-id_52340353	405.533	YPDAUWKTCLMJPL-OAQYLSRUSA-N	00000010100010110000100010000000000000000000000000000000	25-01-126472
C1CCN(CC1)c1cc(ccc1)OCCCN=C1c2cscc2S(=O)(=O)N1	SCHEMBL4604435,PC-id_136109383	405.534	XYZRFMHWWFVYRI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126473
C1CCN(CC1)Cc1cc(ccc1)OCCN=C1c2cscc2S(=O)(=O)N1	SCHEMBL11109667,PC-id_135797607	405.534	SFOFBNXVEVLHBG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126474
c1(NC(=O)c2sc(nc2C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8560394452,EMOLS-id_334337441	405.534	MCCBGQOYAAYPFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126475
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCc2s1	ZINC22_15636867,MCULE-9879052553,CoCoCo_4164255,PC-id_24242500,EMOLS-id_17194468	405.534	NMNBTMNVWSFKCS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126476
Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1CCCCC1	CoCoCo_4164074,ZINC22_12852449,PC-id_25553039,EMOLS-id_24129210,MCULE-5298100652	405.534	RYNFNIIFAIMSDB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126477
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc2c(s1)CCC2	EMOLS-id_3641264,MCULE-3235933750,ZINC22_9500307,GD-id_ZINC09500307,CoCoCo_4164081,PC-id_16356851	405.534	OKFSQGLSSAJJFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126478
CCc1ccc(s1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109615	405.534	RTXJKVCAHICCPK-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-126479
CC(C)CC(CN(C)C)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCC1	SCHEMBL15252690,PC-id_89801022	405.534	QFGLHAXRZQJPRO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-126480
CC(C[C@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCC1)CN(C)C)C	PC-id_58015695,SCHEMBL12879364	405.534	QFGLHAXRZQJPRO-HNNXBMFYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-126481
CN(C1CCCC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2CCCc2s1	MCULE-1340740481,ZINC22_5373279,EMOLS-id_5615100,CoCoCo_5183178,PC-id_7656041	405.534	WLCVRZNAKZNGBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126482
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1nc2c(s1)CCC2	CoCoCo_4164161,PC-id_17391762,MCULE-7856401810,ZINC22_9535797,EMOLS-id_11943156	405.534	JDWVAUSNTVAFAU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126483
O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N2CCCCCC2)c1	PC-id_26723362,ZINC22_15636878,MCULE-5873762251,CoCoCo_4164262,EMOLS-id_43971900,GD-id_ZINC15636878	405.534	FGUCDFFEIUWMIR-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-126484
O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	MCULE-7163750956,CoCoCo_4164080,PC-id_9439427,EMOLS-id_3623217,ZINC22_8314003	405.534	VHHATUXTZAEEBC-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-126485
O=S1(=O)N=C(NCCCOc2cccc(CN3CCCC3)c2)c2cscc12	PC-id_136109138,CHEMBL289128	405.534	GZOCWNNNKCLUNL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126486
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(n(nc1)CC)C)C)C(=O)OCC	PC-id_25984013	405.534	YRBMRIOGMKMPQS-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-126487
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(n(nc1C)C)C)C)C(=O)OCC	PC-id_25985331	405.534	CXRUPTQKKYTAGK-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-126488
s1c2c(CCC2)c(c1NC(=O)CSc1nc(c(c(n1)C)C)C)C(=O)OCC	PC-id_8023173	405.534	YQHDRZBTECIPGP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126489
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1occc1)C(=O)OC	PC-id_20176391	405.534	NWSNTEXWSBRHFN-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-126490
S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_26723329	405.534	KOLDPFKPTIJVDA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126491
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2CCCc2n1)c1ccc(cc1)C	PC-id_16829175	405.534	GRCGCEZTPNBADT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126492
s1c2c(CCC2)c(c1NC=C(c1scc(n1)C)C#N)C(=O)c1ccc(cc1)C	PC-id_84841701	405.536	DGDVODYPQMEIQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126493
s1c2c(CCC2)c(c1N/C=C(/c1scc(n1)C)C#N)C(=O)c1ccc(cc1)C	PC-id_8811893	405.536	DGDVODYPQMEIQH-LFIBNONCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126494
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(c(nn1)C1CC1)CC)C)C(=O)N	PC-id_8959856	405.538	HOAPLSAWNGMDIQ-VIFPVBQESA-N	00100010100000000001100010000000000000000000000000000000	25-01-126495
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(c(nn1)C1CC1)CC)C)C(=O)N	PC-id_8959857	405.538	HOAPLSAWNGMDIQ-SECBINFHSA-N	00100010100000000001100010000000000000000000000000000000	25-01-126496
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)CC1CCCC1)C(=O)N	PC-id_16587745	405.538	MWVYFABUWKZTBF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126497
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)C1CC1)CC)C)C(=O)N	PC-id_84884316	405.538	HOAPLSAWNGMDIQ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-126498
S1c2n(CC1)cc(n2)CNC(=O)CCCn1nnnc1C[NH+]1CCC(CC1)C	PC-id_25286975	405.541	WWHUYQBTNJINBN-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-126499
s1c2c(CCC2)c(c1NC(=O)CN1C(CCC1)CN1CCCC1)C(=O)OCC	PC-id_56574665	405.554	SJTOJRCLTZFQNG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126500
s1c(C2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_85011149	405.554	GIMQJXNDWNPQQY-UHFFFAOYSA-O	00000010100100000000100010000000000000000000000000000000	25-01-126501
s1c([C@H]2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_9446724	405.554	GIMQJXNDWNPQQY-AWEZNQCLSA-O	00000010100100000000100010000000000000000000000000000000	25-01-126502
s1c([C@@H]2[NH+](CCC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_9446726	405.554	GIMQJXNDWNPQQY-CQSZACIVSA-O	00000010100100000000100010000000000000000000000000000000	25-01-126503
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)CC(c1ccccc1)c1ccccc1	PC-id_7483976	405.556	HDKOKDWHJUERDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126504
CCn1nc(c(c1C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92110084	405.557	TWVWJTLYQXLPBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126505
CN1CCCC(C1)N1CCN(CC1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_86959422	405.557	IXGIIMDTFIHIIZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-126506
CCOC(=O)C1(CCC#N)CC(=O)n2c1cnc2CCO[Si](C(C)(C)C)(C)C	PC-id_141645675	405.563	XHSXRSOCEIYJKX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126507
CCCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2C)C	PC-id_117982935,SCHEMBL16604961	405.637	MXNIOMLJJHVGFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126508
CCCCCCCCC(CN1c2ccsc2C(=O)C1=O)CCCCCCCC	PC-id_142721019	405.637	KJIOEOHRSKXPOJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126509
CCCCCCCCC(CN1C(=O)c2c(C1=O)csc2)CCCCCCCC	PC-id_102306416	405.637	UFYJWPHQCMEUHL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126510
CCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2C)C)CCCCCC	SCHEMBL16307284,PC-id_117750090	405.637	URTROEZMDJCKAK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126511
CC(CCN1C(=O)c2c(C1=O)c(sc2C(C)(C)C)C(C)(C)C)CCCC(C)C	PC-id_145553397	405.637	HZMUQEAQZMPETO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126512
s1c2[n+](CC(N2)(C)C)c(CSC(=NC2CCCC=C2)NC2CCCCC2)c1	PC-id_75240021	405.644	SFWMITISZWYXKU-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-126513
s1c2[n+](CC(N2)(C)C)c(CSC(=N[C@@H]2CCCC=C2)NC2CCCCC2)c1	PC-id_46926552	405.644	SFWMITISZWYXKU-INIZCTEOSA-O	00000010100011000001000010000000000000000000000000000000	25-01-126514
ICCCCN1C(=O)c2c(S1(=O)=O)cc(s2)Cl	SCHEMBL10413949,PC-id_23049943	405.66	AIYRTBTZIRUGEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126515
CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc(Br)cc1Cl	MCULE-3798943147,PC-id_17425985,EMOLS-id_11977619,ZINC22_12698246,CoCoCo_4491299	405.698	AZYBRFRTFCBSRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126516
Clc1ccc(c(c1)C(=O)Nc1sc2c(c1C(=O)O)C(OC2)C)C(F)(F)F	SCHEMBL2162084,PC-id_67300632	405.776	QPTMPXHBHJNTAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126517
Clc1ccc(cc1)CCc1nn(c(=O)o1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5536083,PC-id_69479515	405.792	WTMYEHREPQCNNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126518
Fc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1F	EMOLS-id_324882951	405.806	PPGLRKZIHFOOMT-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126519
Fc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c(F)c1	EMOLS-id_324883463	405.806	SBPZWOIJJCBYPY-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-126520
Fc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1F	EMOLS-id_324845307	405.806	QYWDHUPPQVIWLT-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126521
Fc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c(F)c1	EMOLS-id_324841724	405.806	DKVCPTSHTLTJQI-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-126522
Fc1ccc(F)c(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324883980	405.806	UFCWEUOZVNSWPC-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126523
Fc1ccc(F)c(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324846321	405.806	NFOWOQYUHCXJSE-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126524
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1ccccc1Cl	MCULE-5488542033	405.806	SBPZWOIJJCBYPY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126525
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1ccc(Cl)cc1	MCULE-5271788287	405.806	DKVCPTSHTLTJQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126526
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1ccccc1Cl	MCULE-8878809591	405.806	PPGLRKZIHFOOMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126527
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1ccc(Cl)cc1	MCULE-1248579826	405.806	QYWDHUPPQVIWLT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126528
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)COc1ccccc1Cl	MCULE-5901876304	405.806	UFCWEUOZVNSWPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126529
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)COc1ccc(Cl)cc1	MCULE-1006000293	405.806	NFOWOQYUHCXJSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126530
Clc1cc(c([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_8604002	405.812	CUUZDFQPNIEIHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126531
Clc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7851929	405.812	NUTWSEGZPWIKRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126532
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc([N+](=O)[O-])c1	PC-id_1667749	405.812	NQKMVYAYAYDCJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126533
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc([N+](=O)[O-])cc1	PC-id_1662559	405.812	QZNKJYOIXXRCFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126534
Clc1c([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_1662558	405.812	DBJZMENEBOINHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126535
Clc1ccc(cc1)C(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479376,SCHEMBL5535628	405.835	SBAIWRYRBXMNHO-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126536
Clc1ccc(cc1)C(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5535633,PC-id_69479379	405.835	SBAIWRYRBXMNHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126537
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCNC(C1)C(=O)c1ccc(cc1)Cl	PC-id_89437628,SCHEMBL14775615	405.836	RLFAYJZTRYJEDC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126538
Clc1ccc(cc1)C(=O)C1NCCN(C1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL14775616	405.836	RLFAYJZTRYJEDC-IBYPIGCZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126539
Clc1ccc(cc1)C(=O)[C@H]1NCCN(C1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL14775617	405.836	RLFAYJZTRYJEDC-PIVQAISJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126540
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134599107,SCHEMBL20253014	405.85	BBJHAZUNHVUWFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126541
Clc1ccc(C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_4320832	405.855	IHUBUBGXZURSFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126542
Clc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_9657536	405.855	IHUBUBGXZURSFS-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126543
Clc1cc(c(OC)cc1N)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_8764515	405.855	LSKSBKRSTYUNMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126544
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CCCC(=O)[O-])cc1	GD-id_ZINC17087563,PC-id_27524404	405.875	MNHDNAXMGPVZJU-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-126545
Clc1ccc(cc1)CNC1CCCCN1CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_140503038	405.879	SNSKXPKEHNUCBG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126546
Clc1ccc(cc1)N(C1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL5547438,PC-id_69482845	405.879	HVJGWBUCEQDSJY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126547
Clc1ccc(N2CCC(C(NC)[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69482748,SCHEMBL5547175	405.879	ZCTHNXPWXCSTKU-NNBQYGFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126548
Clc1ccc(N2CCC(C(NC)C3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69482752,SCHEMBL5547184	405.879	ZCTHNXPWXCSTKU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126549
Clc1ccc(N2CCC(N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	PC-id_77659869	405.879	XAAGTSLSTHYFPA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126550
Clc1ccc(N2CCC(N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	SCHEMBL5547182,PC-id_69482751	405.879	XAAGTSLSTHYFPA-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-126551
CC(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1cccc(Cl)c1)CCC2	EMOLS-id_11661264,CoCoCo_2879760,ZINC22_7737163,MCULE-2692101742,PC-id_8852164	405.895	CFUTVQOAGMBHAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126552
CC(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1ccc(Cl)cc1)CCC2	PC-id_9114052,MCULE-8788663390,EMOLS-id_11696931,CoCoCo_2879754,ZINC22_7985213	405.895	ZGENEYPCNRNNFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126553
CCOC(=O)c1c(NC(=O)CCC(=O)c2ccc(Cl)cc2)sc2CCCc12	MCULE-6151270761,EMOLS-id_327911482	405.895	NODCIFQFGRUFIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126554
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1COCCN1	PC-id_135187050,SCHEMBL20339107	405.898	NQHUGELEUSICDD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126555
c1(NC(=O)c2cccc(Cl)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5676430458,EMOLS-id_334335149	405.898	PALCNPWYEPRQHW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126556
c1(NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334336675,MCULE-2554027896	405.898	KPLCYSQRIIRXEG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126557
c1(NC(=O)c2ccc(nc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7041932015,EMOLS-id_334333614	405.898	IHOXYKFADZEHIE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126558
c1(NC(=O)c2ccnc(Cl)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5646681080,EMOLS-id_334333358	405.898	KRBWGKJGKHOKPW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126559
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCC2OCCC2)cc1	PC-id_16947370	405.898	NNEPRRVCUXZXQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126560
Clc1ccc(C(=O)NCCCC(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684525	405.898	NKLDUMMPHXMTOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126561
CC(C)S(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960015	405.9	SDOCSZVTZHLSOF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126562
CCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960016	405.9	RHQNPMLECFMMDU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126563
Clc1ccc(cc1)C(=O)c1c(NC(=O)C[NH+]2CCOCC2)sc2c1CCC2	GD-id_ZINC04847619,PC-id_7382826	405.918	GTHBDHUBRNZFIY-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-126564
Clc1ccc(C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_4505176	405.922	VFCLRNZLYBDKMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126565
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_6882876,PC-id_6132248	405.922	VFCLRNZLYBDKMT-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126566
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N(CCC)CCC)cc1	PC-id_16947334	405.941	RCHZHKOFPRJKNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126567
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N(C(C)C)C(C)C)cc1	PC-id_16947335	405.941	MXCUCAFGBDVRFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126568
CC(/C(=C/1C(=N)Sc2c1[nH]nc2NCc1ccc(cc1Cl)C(O)(C)C)/C)N	PC-id_145425212	405.945	SQLSIHQALFOLBB-UJADIJFVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126569
Clc1sc(CN(CCC(=O)Nc2sc3CCCc3c2C#N)CC=C)cc1	PC-id_52546528	405.965	ABCBVEQVPIYCID-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126570
CCC(C)(CC)C1=C2C(=C(N1)C(C)(CC)CC)ON(O2)I	PC-id_164132011	406.112	YOPAXDRENZLVBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126571
CCCCCCCCN1C(=O)c2c(C1=O)c([nH]c2Br)Br	PC-id_101934137	406.113	KRAXAILOLUVGSW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126572
Clc1cc(Cl)c(CNC(=O)C2CCc3ncsc23)c(Br)c1	BindingDB_PC-id_90303567,SCHEMBL15903760,BindingDB-id_412900,PC-id_90303567	406.125	IEMLGYNUDZIXIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126573
Brc1sc(cc1Br)CNC(c1nnc2n1CCC2)C	PC-id_102834009	406.139	AODNIMFOECEJQZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-126574
C1C2=C(CN1C(=O)C3=C(C=C(C=C3O)O)NC4=CC=NN4CC5=CC=CO5)NN=C2	PC-id_155268733,CHEMBL4467122	406.139	NETRGKDFIASFAV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-126575
BrC(c1sc2c(CCC2)c1)c1c(Cl)cc(OCC)c(Cl)c1	PC-id_81835972	406.165	YWSNOQRWRGSTHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126576
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3Cl)C(=NOC4CCCCC4)N)F	PC-id_154011382	406.18	SRJKKXMZLGXFCX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126577
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)C(F)(F)F	EMOLS-id_330979830,MCULE-3553953401	406.185	IRYHAFWHLJUJMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126578
CC1CCc2c1c(I)nn2Cc1cccc(c1)C(F)(F)F	EMOLS-id_330980087,MCULE-9346591607	406.185	GVPXPNXBSKNLJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126579
CC1CCc2c1c(I)nn2Cc1ccccc1C(F)(F)F	MCULE-4342549900,EMOLS-id_330978039	406.185	REUJUYBFGILYBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126580
CC1CCc2nn(Cc3cccc(c3)C(F)(F)F)c(I)c12	EMOLS-id_330964147,MCULE-8746807360	406.185	SEMGNRNUVGIXRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126581
CC1CCc2nn(Cc3ccc(cc3)C(F)(F)F)c(I)c12	MCULE-4276940079,EMOLS-id_330963890	406.185	UVBIYEXBFZNEJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126582
CC1CCc2nn(Cc3ccccc3C(F)(F)F)c(I)c12	MCULE-9567367750,EMOLS-id_330962099	406.185	FPEUQUDHCNXSLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126583
C1CC2=C(C1)N(N=C2C=O)CCC3CCC(CC3)OC4=CC=CC=C4C(F)(F)F	PC-id_153565202	406.187	ODKXDJNACCAYOF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126584
Brc1c2n(CC(C2(C)C(=O)OC(=O)O)C)c(c1)C(=O)c1ccccc1	PC-id_54406890	406.227	VRIJGLUASDXNHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126585
Brc1c2n(CCC2C(=O)O)c(c1)C(=O)c1cc(ccc1)C(=O)OCC	PC-id_20405070,SCHEMBL11005992	406.227	FFUCDCQRJTYRGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126586
Brc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1)C(=O)c1ccccc1	SCHEMBL11002464,PC-id_12915921	406.227	FOWBAUSKDSDTMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126587
Brc1c2n(CCC2(C(=O)O)C(=O)O)c(c1C)C(=O)c1ccc(cc1)C	SCHEMBL11004164,PC-id_20405079	406.227	KOFGDBZKGVKDPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126588
Brc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cnc1	PC-id_8113603	406.254	GQKWVNNAIZHUKF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126589
Fc1ccc(Cc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	EMOLS-id_324840177	406.261	PODOLFDBCLRCAR-ZROIWOOFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126590
Fc1ccc(Cc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324838640	406.261	BZVYNRKPQMEKIU-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126591
Fc1ccc(Cc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_324841200	406.261	QHWNJOPAHBYEIQ-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126592
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)Cc1ccc(F)cc1	MCULE-9104652552	406.261	PODOLFDBCLRCAR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126593
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)Cc1ccc(F)cc1	MCULE-1607471682	406.261	BZVYNRKPQMEKIU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126594
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)Cc1ccc(F)cc1	MCULE-1932333282	406.261	QHWNJOPAHBYEIQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126595
Brc1ccc(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_4257833	406.294	RUFKVCNDIMOPND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126596
Brc1ccc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_6050400	406.294	RUFKVCNDIMOPND-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126597
c1(NC(=O)C(=Cc2ccccc2)Br)sc2c(CCC2)c1C(=O)OC	MCULE-5462053802,PC-id_1192743	406.294	KNYWWHICIAKGLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126598
COC(=O)c1c(NC(=O)/C(=Cc2ccccc2)/Br)sc2c1CCC2	CoCoCo_6303198	406.294	KNYWWHICIAKGLK-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126599
COC(=O)c1c(NC(=O)/C(=C/c2ccccc2)/Br)sc2c1CCC2	EMOLS-id_26648448,CoCoCo_6303197,ZINC22_956753	406.294	KNYWWHICIAKGLK-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126600
Brc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_44060722,PC-id_42942327,MCULE-9783623476	406.297	PVATXBGUDWHJLT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126601
Brc1c(N2CC(CC2=O)C(=O)Nc2sc3CCCc3n2)cccc1	PC-id_42953095,MCULE-9301456214,EMOLS-id_24097743	406.297	MDXUXTXIDAWWQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126602
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	CoCoCo_4660826,PC-id_33041118,ZINC22_25769411	406.297	PVATXBGUDWHJLT-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126603
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	PC-id_33041117,CoCoCo_4660825,ZINC22_25769410	406.297	PVATXBGUDWHJLT-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-126604
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2ccccc2Br)C1	CoCoCo_4776361,PC-id_25640797,ZINC22_12975476	406.297	MDXUXTXIDAWWQE-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-126605
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2ccccc2Br)C1	PC-id_25640798,ZINC22_12975478,CoCoCo_4776362	406.297	MDXUXTXIDAWWQE-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126606
CC(c1ccc(cc1)C1CCC1)n1nc2CCC(C)c2c1I	MCULE-8451206032,EMOLS-id_330961084	406.304	QYCBGDMMNRUSGE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-126607
COC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2	ZINC22_408628053	406.304	SFJQWDLMVVHHHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126608
Clc1cccc(c1/C=c/1sc2n(c1=O)nc(n2)/C=C/c1cccs1)Cl	ZINC22_5218185,EMOLS-id_206974322,STOCK4S-72200	406.309	HTVGXNUNEZLSMT-XQZMZFSGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126609
Clc1ccc(c(c1)Cl)/C=c/1sc2n(c1=O)nc(n2)/C=C/c1cccs1	ZINC22_5180670,STOCK4S-49974,EMOLS-id_206980393	406.309	YOKLKBAMFUDGGM-PPHRNLEOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126610
Clc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1Cl	EMOLS-id_45970420,ZINC22_27022418	406.309	ODSMKKWSAXGTMQ-YFZWXOIXSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126611
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)C=Cc1cccs1	MCULE-1910238131	406.309	YOKLKBAMFUDGGM-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126612
n12nc(nc1sc(=Cc1c(cccc1Cl)Cl)c2=O)C=Cc1cccs1	MCULE-9529981656	406.309	HTVGXNUNEZLSMT-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126613
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)C=Cc1cccs1	MCULE-6799356006	406.309	ODSMKKWSAXGTMQ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126614
O=c1/c(=Cc2ccc(Cl)c(Cl)c2)/sc2nc(/C=C/c3cccs3)nn12	ZINC22_16807450	406.309	ODSMKKWSAXGTMQ-YSADAPTOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-126615
c1cc(cc(c1)O)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O	PC-id_135441688	406.315	KKJIKQLLMYJEMV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126616
c1ccc(C(=O)C(C2=Nc3n(C2=O)c(N)nn3)C2=Nc3nnc(N)n3C2=O)cc1O	SPECS-id_AT-225/NB55253,LI_75514,ZINC22_16942934,PC-id_343431,MCULE-7626108254,CoCoCo_5636926,NSC382884	406.315	OALJZVALZLXPTM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126617
Brc1ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)cc1	PC-id_54791460	406.32	GGOSGOVMGGJNNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126618
Brc1cc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)ccc1	PC-id_54791507	406.32	BIHSUPSWKLPLIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126619
Brc1c(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)cccc1	PC-id_4955499	406.32	SJKWCMYDSBHSSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126620
c1(CN2CCCC(COc3ncc(cn3)Br)C2)c2CCCc2nn1C	MCULE-7799454012,EMOLS-id_317464147	406.32	WFFZYAJJEMHCEL-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-126621
Cn1nc2c(c1CN1CCC[C@@H](COc3ncc(Br)cn3)C1)CCC2	ZINC22_1776001038	406.32	WFFZYAJJEMHCEL-CYBMUJFWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-126622
Cn1nc2c(c1CN1CCC[C@H](COc3ncc(Br)cn3)C1)CCC2	ZINC22_1776001039	406.32	WFFZYAJJEMHCEL-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-126623
Brc1ccc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cc1	PC-id_44060375	406.34	FVSAWVYTVYVHBX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126624
Brc1cc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)ccc1	PC-id_44060374	406.34	XBWIOSYMIVNASQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126625
Brc1c(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cccc1	PC-id_44060373	406.34	NLAYVSWCZZSEFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126626
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1N(=O)=O)N(=O)=O	EMOLS-id_328217469,MCULE-1185944111	406.391	DCZLMHFNKVQZMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126627
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1ccc(cc1)OC(F)(F)F	MCULE-2331605990,PC-id_8474170,EMOLS-id_16762034,CoCoCo_3532720	406.4	OBDVYKPNJZCDNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126628
O=C(c1sc2c(c1)CCC2)NNS(=O)(=O)c1cccc(c1)OC(F)(F)F	PC-id_24662388,EMOLS-id_33343959,MCULE-2778183874	406.4	ZBJJWPNSOZHCPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126629
c1(C(=O)N2CCN(C(=O)CC2)Cc2cccc(c2)C(F)(F)F)c2CCCc2[nH]n1	MCULE-8051805735,ZINC22_11789614,PC-id_42170271,CoCoCo_1194468,CoCoCo_1194467,EMOLS-id_20445865	406.402	SPWJTXATNASXLH-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-126630
CC(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL17505320,PC-id_86268340	406.402	PPZXCRZKCRMQQJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126631
FC(F)(F)c1cc(C(=O)Nc2n[nH]c3C(N(C(=O)CC4CC4)Cc23)(C)C)ccc1	PC-id_11742051	406.402	DKHWZIYJOSZNDZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-126632
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC(C)C)O[C@H](C(F)(F)F)C	SCHEMBL17213834,PC-id_118478991	406.402	ZGDVOQLZDKKGQX-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126633
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2CC(C)C)O[C@H](C(F)(F)F)C	SCHEMBL17213849,PC-id_118479005	406.402	CVCWIBPFEKRSAW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126634
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)C(F)(F)F)C(=O)N	PC-id_26930093	406.407	BQXQVDMKPVWOSA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126635
COC(c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1C(CC2)C(=O)OC)O	PC-id_143029511	406.41	VXTBVVGWHPYKAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126636
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_26217079	406.41	ADSCXGVQQAGFAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126637
s1c2CCCc2c(c1N=Cc1oc(c2cc(cc(c2)C(=O)O)C(=O)O)cc1)C#N	PC-id_50883569	406.411	NGFWIIAWNBDDSM-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-126638
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1n(cc([N+](=O)[O-])c1)C)C)C(=O)N	PC-id_24531420	406.413	XKQCQTXGBSKZQZ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-126639
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_31274856,ZINC22_27022516	406.415	AZGBKKPMAMRJMG-PWFSRHFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126640
COc1ccc(/C=C/c2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	ZINC22_27022183,EMOLS-id_31274732	406.415	ZFKWRAVDAKJPTH-VXGMZCCXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126641
COc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1	ZINC22_27022204,EMOLS-id_31274740	406.415	HOSMYJTYEOVVKA-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-126642
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)C=Cc1ccc(cc1)OC	MCULE-8380119375	406.415	AZGBKKPMAMRJMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126643
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)C=Cc1ccc(cc1)OC	MCULE-9397087680	406.415	HOSMYJTYEOVVKA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126644
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)C=Cc1ccc(cc1)OC	MCULE-9485521639	406.415	ZFKWRAVDAKJPTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126645
Cn1nc2c(c1NC(=O)Cc1csc(c3ccc(C(F)(F)F)cc3)n1)CCC2	PC-id_75493675,ZINC22_65855982,EMOLS-id_49291864,MCULE-2591801313	406.425	KBLVJRXOWNHWHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126646
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(F)c(OC)cc1)C)C(=O)N	PC-id_9310108	406.428	FALSZTHNJAFDSC-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-126647
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(F)c(OC)cc1)C)C(=O)N	PC-id_9310109	406.428	FALSZTHNJAFDSC-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126648
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(F)cc(OC)cc1)C)C(=O)N	PC-id_8976240	406.428	UDOCJJRMOPZDRK-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-126649
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(F)cc(OC)cc1)C)C(=O)N	PC-id_8976246	406.428	UDOCJJRMOPZDRK-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126650
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(F)c(OC)cc1)C)C(=O)N	PC-id_84976876	406.428	FALSZTHNJAFDSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126651
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(F)cc(OC)cc1)C)C(=O)N	PC-id_84888219	406.428	UDOCJJRMOPZDRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126652
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N)cc(F)cc1)C(=O)OCC	PC-id_8468568	406.428	YENOTQGWQHPGSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126653
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](Oc1ccc(F)cc1)C)C(=O)N	PC-id_8336072	406.428	VPFPJWPQVSLDGN-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-126654
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](Oc1ccc(F)cc1)C)C(=O)N	PC-id_8336073	406.428	VPFPJWPQVSLDGN-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126655
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(Oc1ccc(F)cc1)C)C(=O)N	PC-id_78668936	406.428	VPFPJWPQVSLDGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126656
S1Cc2c(nn(c2NC(=O)C(=O)OCC)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053751	406.431	SPHRWDIVXPTUOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126657
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1ccco1)C(=O)O	PC-id_91527546	406.433	GJDNNZKTBQKAOL-UHFFFAOYSA-O	00000011101000000001000010000000000000000000000000000000	25-01-126658
c1(C(=O)Nc2c(OC)cc(c(OC)c2)NC(=O)c2ccccc2)c2CCCc2[nH]n1	EMOLS-id_335090633,MCULE-3764331074	406.434	KSDBQSVVQCUEBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126659
[nH]1nc(c2c1CN(C2)C(=O)[C@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)OC	PC-id_49798163,CHEMBL1172702	406.434	AFYFYSYCAAAFCY-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-126660
O=C1N(Cc2[nH]c(c(c12)C)C(=O)Cc1c(ccc(c1)C(=O)Nc1nocc1)C)CC	PC-id_58328146	406.434	ZEKGGKMRKMQTBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126661
O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1n(nc2C(CCc12)C)C	PC-id_15008466	406.434	JDIUYPUNNJKDLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126662
NC(=O)NC(=O)c1c(NC(=O)C=Cc2ccc(s2)[N+](=O)[O-])sc2c1CCC2	PC-id_92046515	406.436	SJTRBCIZLFVYDB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126663
CC(C)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268143,SCHEMBL20696286	406.445	NQPPYXYFCYMVJN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126664
CCn1c2c(CN(C2)C)c(n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696209,PC-id_137456754	406.445	LXNBVWVYYUXTDE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126665
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Nc1ccc(cc1)C(F)(F)F	PC-id_92109991	406.445	TUEUROKCTLVHNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126666
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Nc1cccc(c1)C(F)(F)F	PC-id_92109992	406.445	CFVCTFRFZBGRIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126667
c1(NC(=O)c2ccc(cc2F)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334337699,MCULE-7801262851	406.446	ZXCPNFBQDKIKLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126668
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6867344161,EMOLS-id_334335403	406.446	LHYMJWJIACLWJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126669
CN=C(NCc1nnc2n1CCC2)NCC1(CCC1)c1cccc(c1)C(F)(F)F	PC-id_111499163	406.448	NQDRVRISRRLJEX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-126670
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(Cc1ccc(cc1)F)C(=O)O	EMOLS-id_328215923,MCULE-9371832124	406.449	HFALBXYGDYLLHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126671
CC(OC(=O)c1c(C)cn2c1SC(C2=CC(=O)ON1C(=O)CCC1=O)(C)C)C	PC-id_139819500	406.453	XMVFMQFOYMIDRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126672
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(noc1C)CC)C(=O)OCC	PC-id_7660636	406.453	DWYLNMFVELQBBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126673
Brc1cc(C)c(c(c1)C)N[Si](C1c2sccc2C(=C1C)C)(C)C	SCHEMBL815428,PC-id_58526147	406.455	WVEGJMZUUUTSOA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126674
Brc1c(N[Si](C2C(=C(c3c2scc3)C)C)(C)C)c(cc(c1)C)C	SCHEMBL816629,PC-id_58526146	406.455	QKLUXQHIAVGMHN-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126675
Cc1cc(c(c(c1)Br)N(C1C(=C(c2c1scc2)C)C)[SiH](C)C)C	PC-id_137329824	406.455	VAEHJLKOEZBCEY-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126676
Cc1cc(c(c(c1)Br)N(C)[SiH](C)C1C(=C(c2c1scc2)C)C)C	PC-id_137328512	406.455	INBCZSAFMCKDJI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-126677
c1(NC(=O)CNC(=O)c2cc(OC)c(c(OC)c2)OC)n(C)nc2CSCc12	EMOLS-id_334561973,MCULE-3397543839	406.456	OAKGZGNGFCHCND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126678
c1(N(=O)=O)cc(n(CCCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)n1)C	CoCoCo_570986,MCULE-3595925893,EMOLS-id_2518720,ZINC22_2601671,PC-id_2068189	406.456	AHMNIVGKXJOPJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126679
c1(N(=O)=O)c(C)nn(CC(=O)Nc2sc3c(CCC3)c2C(=O)OC(C)C)c1C	ZINC22_2746126,EMOLS-id_4085250,CoCoCo_5819940,MCULE-3775528212,TIMTEC44323,PC-id_3669792	406.456	AJUVKLXILVAQCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126680
COc1ccc(OC)c(c1)S(=O)(=O)N1Cc2c(C1)n(C)nc2C(=O)NC1CC1	MCULE-8002189286,EMOLS-id_207862887	406.456	KWMNVNJZUYPIBM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-126681
S1Cc2c(nn(c2NC(=O)CCC(=O)OCC)CC(=O)NCc2occc2)C1	PC-id_44053332	406.456	BGWDLDZYPHEVOB-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-126682
c12c(CCC1C(=O)Nc1ccc(cc1)C(=O)N)sc(NC(=O)c1ccccc1)n2	EMOLS-id_12346401,Chemmine_45416,PC-id_16947170,MCULE-3783268545	406.458	FCVKHGMAVLWTNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126683
c1(NC(=O)c2cc(=O)[nH]c(Cc3ccc(cc3)OC)n2)sc2c(CCC2)c1C#N	EMOLS-id_182608499,PC-id_136834498,MCULE-1467190460	406.458	XZDKJPLKLQUWFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126684
c1(NC(=O)c2c(=O)cc(n(c3ccccc3OC)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322818090,MCULE-4734337544	406.458	DOSSNCFYSSSDKT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126685
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3)OC)n2)C)sc2c(CCC2)c1C#N	MCULE-1271514937,EMOLS-id_322818346	406.458	JSONNGNSPUXNSC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126686
c1(NC(=O)c2c(=O)cc(n(c3cccc(OC)c3)n2)C)sc2c(CCC2)c1C#N	MCULE-1251486645,EMOLS-id_322818602	406.458	UESJSSTWEPQDKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126687
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(cc3C)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_322818859,MCULE-8639615867	406.458	IMGIFDKHEFTXHS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126688
c1(NC(=O)c2c(O)cc(=O)n(c3cc(C)cc(C)c3)n2)sc2c(CCC2)c1C#N	MCULE-9019323060,EMOLS-id_322821931	406.458	TVQXRQSWUCDSEG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126689
Cc1cc(c(cc1)C)n1c(c(c(=O)[nH]c1=O)C=Nc1c(c2c(s1)CCC2)C#N)O	PC-id_137074853	406.458	CPNWRGNUFIHGJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126690
Cc1cccc(c1C)n1nc(C(=O)Nc2sc3CCCc3c2C#N)c(O)cc1=O	EMOLS-id_322818603,MCULE-9705730275	406.458	HUTIJFUBMXEJEZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126691
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=CNc3sc4c(c3C#N)CCC4)/C2=O)c1	ZINC22_408532020	406.458	PIYGPMXDWLBJKL-XNTDXEJSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126692
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)C)c2=O)C	MCULE-8136240163	406.458	DEPRHAIOWJONTB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126693
NC(=O)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	PC-id_40945371,ZINC22_9131429,CoCoCo_5124736	406.458	FCVKHGMAVLWTNP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126694
NC(=O)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	ZINC22_9131428,PC-id_40945370,CoCoCo_5124737	406.458	FCVKHGMAVLWTNP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126695
O=C(c1ccc(cc1)NC(=O)c1ccccn1)NNC(=O)c1sc2c(c1)CCC2	PC-id_45909327,CoCoCo_4938059,EMOLS-id_44130308,MCULE-2920034029	406.458	YJDWOEUUHMSKCW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-126696
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)C#Cc1ccccc1	PC-id_68442891,SCHEMBL2924626	406.458	RSHPSFITXYCJHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126697
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)C#Cc1ccccc1	PC-id_141251781	406.458	YFBBEXPPPQSKFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126698
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)C#Cc1ccccc1	PC-id_68441344,SCHEMBL2920603	406.458	GMKIMGXACLQSPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126699
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(n2nccc2C)cc1)C#N	PC-id_8552926	406.458	UOKZWDOYOSFKAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126700
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(cccc1)C(=O)N	PC-id_16947169	406.458	PXMFOVAAJPSIDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126701
S(=O)(=O)(N1CCCC1)c1c(NCCc2n3CCCc3nn2)ccc([N+](=O)[O-])c1	PC-id_78857909	406.459	AXACGYLVDSHETI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126702
S(=O)(=O)(N1CCCCC1)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590554	406.459	JCKUSSSRPVGOTB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126703
O(CCN(c1cc(c(/N=C/n3[n+](cnc3C(=C2[N+]#[C-])C#N)C)cc1)C)CC)CCO	PC-id_59107233	406.461	CRYWXHMDWNWESQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126704
s1c2c(CCC2)c(c1Nc1nc(NCCN(C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127504	406.463	AJUARUUWXIJRPM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126705
CC(C1C(O1)CC1COC(C(C1O)O)CC(=C1Cc2cocc2C1=O)C)C(C)O	PC-id_88400011	406.469	AINMWOZYGNJKBI-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-126706
N#Cc1c(sc2c1CCC2)NC(=O)[C@@H]([N@@H+](Cc1ccc(cc1)OC(F)F)C)C	GD-id_ZINC26206850	406.469	HZQKFUYLNDFUBZ-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126707
O1[C@H]([C@@H]1[C@H]([C@@H](O)C)C)C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OC1)CC(=C1Cc2c(C1=O)coc2)C	PC-id_57119970	406.469	AINMWOZYGNJKBI-JKFOZLAYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-126708
O[C@@H]1[C@H](CO[C@H]([C@@H]1O)C/C(=C/1Cc2c(C1=O)coc2)/C)C[C@@H]1O[C@H]1[C@H]([C@@H](O)C)C	SCHEMBL9013622	406.469	AINMWOZYGNJKBI-HOZNEUBXSA-N	00100010100010000000000010000000000000000000000000000000	25-01-126709
c1(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccc(cc2)F)n(C)nc2CCCc12	MCULE-6898143444,PC-id_44062371,EMOLS-id_24910470	406.474	KFHXFEBORCYFQS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126710
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)F)n(C)nc2CCCc12	MCULE-1604941811,CoCoCo_5273036,ZINC22_23135727,PC-id_30859159,EMOLS-id_24910440	406.474	BXOLVVVAFRCDJV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126711
Cn1nc2c(c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CCC2	ZINC22_23135783,CoCoCo_5273059,PC-id_30859207	406.474	KFHXFEBORCYFQS-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126712
Cn1nc2c(c1NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CCC2	ZINC22_23135785,CoCoCo_5273060,PC-id_30859209	406.474	KFHXFEBORCYFQS-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126713
COc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc(OC)c1OC	MCULE-6892659293,EMOLS-id_328217717	406.474	WJDYPYFJYXRELL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126714
CCOC(=O)n1nc2c(c1NC(=O)C1CCC1)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015639,SCHEMBL12879080	406.476	RJIAYJOJPHWZJJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-126715
COC(=O)c1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)sc2c1CCC2	ZINC22_408573364	406.476	CUJIQLCBFNZUTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126716
O=C(CCC(=O)c1cccs1)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-2323289576,EMOLS-id_11983920,CoCoCo_3034877,PC-id_5093790	406.476	CHXZCQATTHJEJD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126717
s1c2CCCc2cc1C(=O)OCC(=O)C1C(=[N+](CC(C)C)C(=O)N(C1=O)C)N	PC-id_78339356	406.476	AFNZGEMWUYTZML-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-126718
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SC)nccc1)C(=O)OC	PC-id_16529613	406.476	AWNMPEZQMIEMJJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126719
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([S@@](=O)C)cccc1)C(=O)N	PC-id_11938742	406.476	UYUGRAAARXYAJE-MHZLTWQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-126720
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([S@](=O)C)cccc1)C(=O)N	PC-id_11938743	406.476	UYUGRAAARXYAJE-HHHXNRCGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126721
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(S(=O)C)cccc1)C(=O)N	PC-id_9304257	406.476	UYUGRAAARXYAJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126722
C=C/C=CC(=C)C(=O)Nc1nn(c2c1CN(C2)C(=O)[C@H](c1ccccc1)OC)CC	SCHEMBL18471608	406.478	VNPRFUUKWPUBEJ-QRGKHIHXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126723
CCOC(=O)S1(C(=N)c2c(N1)scc2C)C(=NO)C(=NO)c1ccccc1	PC-id_135402100	406.479	FZHAQIVUQIFXIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126724
CCOC(=O)S1(C(=N)c2c(N1)scc2C)/C(=NO)/C(=N/O)/c1ccccc1	PC-id_135839469	406.479	FZHAQIVUQIFXIR-IDYUMJRBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126725
O=C(NC(C(=O)N)Cc1ccccc1)CCC1CCc2[n+]1cn(n2)S(=O)(=O)C	PC-id_102105172	406.479	KBGGZGAHOSJDHD-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-126726
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)NCC=C)C(=O)N	PC-id_7469015	406.479	HXYCTKJEHDFORA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126727
S1(N=c2scc(c2=C1N)C)(C(=C(N=O)c1ccccc1)NO)C(=O)OCC	PC-id_4979977	406.479	GHEGJJWFFHGRRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126728
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCn3c(C)cc(C)n3)Cc12	EMOLS-id_316319035,MCULE-8484767563	406.481	WKDUFOUJBTXBLA-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126729
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCn3c(C)cc(C)n3)Cc12	MCULE-2063782090	406.481	WKDUFOUJBTXBLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126730
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(F)c(OC)cc1)CC)C(=O)N	PC-id_9349275	406.494	VXOWBVHPCMLFRB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-126731
Fc1ccc(cc1)c1c[nH]c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109889	406.496	LLMHWVAUVRNYSF-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-126732
c1(c2CCCc2sc1N=Cc1ccccc1)C(=O)Nc1ccc(cc1OC)OC	MCULE-6153761272,PC-id_4210276	406.497	ATBJPAMZOPYAKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126733
c1(c2CCCc2sc1N=Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)OC	MCULE-9261898583,PC-id_7333870	406.497	MYKBBWNGLPSPJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126734
c1(c2CCCc2sc1N=Cc1ccc(cc1)OC)C(=O)Nc1ccccc1OC	PC-id_3565971,MCULE-6224618862	406.497	NXHWRECWJHFCIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126735
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)Nc1cccc(OC)c1	SPECS-id_AE-848/41827104,MCULE-7495673989,EMOLS-id_3743482,ZINC22_728992,CoCoCo_6879697,PC-id_1050709	406.497	KCIOOOACZZFTRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126736
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)OCC	MCULE-1612371927,CoCoCo_81806,ZINC22_1081033,BAS-00486950,EMOLS-id_1231077,PC-id_1268004	406.497	ZBIBGWSENKXLNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126737
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1OCC	PC-id_2266620,ZINC22_2945953,EMOLS-id_2123305,MCULE-5997626761,CoCoCo_1731259	406.497	VGBNSUPTEBWWFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126738
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1OC	ChEMBL-DNDi_CHEMBL5838275,CK1359593,MCULE-9201850131,EMOLS-id_1116256,CoCoCo_706121,PC-id_1372061,ZINC22_1219069,Chemmine_27638	406.497	YQINHCZSKQXLPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126739
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(cc1)OC	MCULE-2683458372,EMOLS-id_2375303,CoCoCo_706241,PC-id_2871959,CHEMBL1480644,ZINC22_4603006	406.497	QAZKDEPUEZHBGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126740
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1cccc(OC)c1	MCULE-3786699244,CoCoCo_957843,PC-id_1298685,ZINC22_1122164,EMOLS-id_2225164	406.497	HKDHSBVYMNGADE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126741
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1OC	SPECS-id_AG-667/11912014,CoCoCo_680527,ChEMBL-DNDi_CHEMBL3261-0203,PC-id_1047297,ZINC22_722335,MCULE-2635672766,EMOLS-id_2093459,TIMTEC36315	406.497	QNSAWKRONCUGLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126742
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)OC	ZINC22_722336,TIMTEC36316,BAS-00832052,PC-id_1047298,EMOLS-id_1280370,MCULE-6529327629,CoCoCo_138045	406.497	BBKGAHRUOWFQOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126743
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8385229826	406.497	YGZNGXGGFIUWFE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-126744
c1(NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5044545697,PC-id_3413261	406.497	JHFJENZFIBUYAW-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-126745
c1(NC(=O)C(C)Oc2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-7691632218,PC-id_19191533	406.497	HNIHIMXMJDNZDO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-126746
c1(NC(=O)COc2ccc(cc2)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	MCULE-9742066285,PC-id_19172401	406.497	ILPHSBPDUYUVPR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-126747
c1(sc2c(CCC2)n1)NC(=O)C(=Cc1ccc(c(OC)c1)OC)c1ccccc1	MCULE-2364548782	406.497	RWWPQNLCHYPXSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126748
Cc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334336168	406.497	YGZNGXGGFIUWFE-VAWYXSNFSA-N	00000010101000110000000010000000000000000000000000000000	25-01-126749
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cs(=O)c2C	PC-id_20093458,SCHEMBL9165981	406.497	FTNZOILIPXHQAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126750
CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1	EMOLS-id_2889494,CoCoCo_3179509,MCULE-4155904192,ZINC22_9156428,PC-id_16234626	406.497	QRNQPJFVCYGSQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126751
COc1ccc(cc1)/C=Nc1sc2c(c1C(=O)Nc1ccccc1OC)CCC2	CoCoCo_6250486	406.497	NXHWRECWJHFCIS-OYKKKHCWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126752
COc1ccc(cc1)/C=Nc1sc2c(c1C(=O)Nc1ccc(cc1)OC)CCC2	CoCoCo_6250488	406.497	MYKBBWNGLPSPJS-OYKKKHCWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126753
COc1ccc(/C=C(/C(=O)Nc2nc3CCCc3s2)c2ccccc2)cc1OC	EMOLS-id_334662357	406.497	RWWPQNLCHYPXSJ-GHRIWEEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-126754
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)cc1	EMOLS-id_46388715,PC-id_9626024,ZINC22_4545637,CoCoCo_6250485	406.497	NXHWRECWJHFCIS-ZVHZXABRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126755
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCC3)cc1	CoCoCo_6250487,ZINC22_4723892,EMOLS-id_46388717,PC-id_16469641	406.497	MYKBBWNGLPSPJS-ZVHZXABRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126756
COc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2ccccc2)c(OC)c1	CoCoCo_6728186,EMOLS-id_46413417,ZINC22_4554193,PC-id_9653285	406.497	ATBJPAMZOPYAKG-ZVHZXABRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126757
COc1cc(OC)ccc1NC(=O)c1c(/N=Cc2ccccc2)sc2c1CCC2	CoCoCo_6728187	406.497	ATBJPAMZOPYAKG-OYKKKHCWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126758
O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)NCCc1ccccc1)CCC2	EMOLS-id_45963174,TIMTEC237743,CoCoCo_5891437,ZINC22_16731518,PC-id_5819024	406.497	JHFJENZFIBUYAW-VAWYXSNFSA-N	00000010101000110000000010000000000000000000000000000000	25-01-126759
O=C(Nc1sc2c(c1C(=O)NCC1(c3ccccc3)CC1)CCC2)c1ccco1	ZINC22_40157354,MCULE-3511437935,PC-id_45916696,EMOLS-id_30067415,CoCoCo_4951049	406.497	JICMNWUZZCOGNT-UHFFFAOYSA-N	00100010101000110000100010000000000000000000000000000000	25-01-126760
O=C(Nc1sc2c(c1C(=O)NCCc1ccccc1)CCC2)/C=Cc1ccco1	CoCoCo_5891438	406.497	JHFJENZFIBUYAW-QXMHVHEDSA-N	00000010101000110000000010000000000000000000000000000000	25-01-126761
s1c2c(CCC2)c(c1N=Cc1c(OC)ccc(OC)c1)C(=O)Nc1ccccc1	PC-id_4413756	406.497	NZSJMADRNJMIMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126762
s1c2c(CCC2)c(c1/N=C/c1c(OC)ccc(OC)c1)C(=O)Nc1ccccc1	PC-id_9669484	406.497	NZSJMADRNJMIMJ-ZVHZXABRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126763
CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O	CoCoCo_3292837,PC-id_24982707,EMOLS-id_42588241,MCULE-5181261959,ZINC22_12864694	406.499	MDENVTOKCIMXJP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126764
COCCN(C(=O)c1cc2c(s1)CCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	MCULE-9693981962,PC-id_25162054,CoCoCo_3317097,EMOLS-id_24034211,ZINC22_32994506,CHEMBL1327581	406.499	AFPJQKKGNUNXLN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126765
NC(=O)c1c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)sc2c1CCC2	PC-id_9209059,ZINC22_36384438,CoCoCo_3587892	406.499	FCZBSORTLDXLSA-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126766
NC(=O)c1c(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)sc2c1CCC2	PC-id_9209065,ZINC22_36384439,CoCoCo_3587893	406.499	FCZBSORTLDXLSA-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126767
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCN(CC1)C(=O)C1CCCO1	MCULE-4910735030,EMOLS-id_11715375,PC-id_16295523	406.499	FCZBSORTLDXLSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126768
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCC)CCC)C(=O)N	PC-id_38852453	406.499	BLKPEKWTOKCMSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126769
s1c2CCC(c2nc1NC(=O)C1CCN(CC1)C(=O)NC1CC1)C(=O)OCC	PC-id_49726275	406.499	HZDKSZMDWGEZNH-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-126770
s1c2CCC(c2nc1NC(=O)C1CN(CCC1)C(=O)NC1CC1)C(=O)OCC	PC-id_49726558	406.499	IEMIAAWQGLVCRW-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-126771
c1(NC(=O)c2ccccc2C)c2CSCc2nn1CC(=O)NCc1ccccc1	MCULE-1231957541,ZINC22_23139482,PC-id_30862723,EMOLS-id_24913525,CoCoCo_5277756	406.501	JPLKPPFHKBBPBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126772
c1(NC(=O)c2cnc(cn2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5276355862,EMOLS-id_334329773	406.501	RWHBFQBWQBTOLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126773
CCc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)N(C)C)/c(=O)n3n2)c1	EMOLS-id_324889094	406.501	VDNWHANGLGCYGY-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126774
CCc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)N(C)C)/c(=O)n3n2)cc1	EMOLS-id_324883981	406.501	QAOSURDPGCLSSS-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126775
CC(C)(C)C1=NN(C(=O)C1)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328148091,MCULE-7172490819	406.501	KJBRGTHELRAALX-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-126776
CC(C)CC1=NN(C(=O)C1)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328168077,MCULE-7191514622	406.501	RZTMUHMZYCOKRA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-126777
CCN(CC)c1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324843761	406.501	NQSLTIVNYYOCSB-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-126778
CN(C)c1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324850420	406.501	HASHHDQBCKCZTN-CYVLTUHYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126779
CN(C)c1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324873733	406.501	BGIPNEIMIZZGRI-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126780
CN(C)c1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324875784	406.501	LVXGBEZGZQEHPD-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126781
CN(C)c1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324881930	406.501	ZWGUBGUWJILGAG-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126782
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)COc1ccc(cc1)CC	MCULE-9027313335	406.501	QAOSURDPGCLSSS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126783
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)COc1cccc(C)c1C	MCULE-7994862099	406.501	LVXGBEZGZQEHPD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126784
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)COc1cc(C)ccc1C	MCULE-8515600098	406.501	ZWGUBGUWJILGAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126785
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)COc1c(C)cccc1C	MCULE-9230406284	406.501	BGIPNEIMIZZGRI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126786
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)CCCOc1ccccc1	MCULE-5720915577	406.501	HASHHDQBCKCZTN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126787
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)COc1cccc(CC)c1	MCULE-9645969382	406.501	VDNWHANGLGCYGY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126788
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)COc1ccccc1	MCULE-2121099946	406.501	NQSLTIVNYYOCSB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126789
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1	PC-id_16947098	406.501	NLIWJFKUZHOOFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126790
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C)CC(=O)NCc2ccccc2)C1	PC-id_44053391	406.501	RWFIGNRDWZUHOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126791
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C)CC(=O)NCc2ccccc2)C1	PC-id_44053392	406.501	YXDRPKXBUTXZOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126792
S1Cc2c(nn(c2NC(=O)c2ccccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053813	406.501	AFQMMGVVUHIWEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126793
S1Cc2c(nn(c2NC(=O)Cc2ccccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053437	406.501	IEONXSRMMNWVMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126794
NC(=O)c1c(NC(=O)CSc2nnc(c3cccs3)o2)sc2c1CCC2	ZINC22_7458530,CoCoCo_3635832,EMOLS-id_3554845,MCULE-8699802933,PC-id_8556487	406.502	TWPQUQRGALXYIJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-126795
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1nccc(c1)C#N)C#N	PC-id_33208692	406.504	GNNDGFHXCZEWDM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-126796
S(OOC)c1c([nH]nc1NN=C1C(=Nn2c1nnc2C)C(C)(C)C)C(C)(C)C	PC-id_59247786	406.506	PJGFNNWOCHRDKS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-126797
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_16349225,ZINC22_15822896,ChEMBL-DNDi_CHEMBLF2814-0992,CoCoCo_2590327,PC-id_22582909,MCULE-7599148652	406.519	ODOFPTDBODXEGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126798
c1(NC(=O)CCCS(=O)(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_32180806,MCULE-5160540523,ZINC22_10687022,PC-id_16824360	406.519	BRAYRSHJOCOYJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126799
Cc1cccc(c1)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328221808,MCULE-9655815363	406.519	XDQPJDZIKLHRJP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-126800
Cc1ccccc1c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-2371497249,EMOLS-id_328217210	406.519	MMRGJZPDMRTCOW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-126801
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)c1ccccc1	EMOLS-id_328224625,MCULE-9488586392	406.519	HSSSOKJEOIAWER-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-126802
Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N1CCOCC1	MCULE-2995771997,EMOLS-id_2985852,CHEMBL1602931,CoCoCo_3177891,PC-id_4464091,ChEMBL-DNDi_CHEMBL1602931,ZINC22_4949590	406.519	HMROJGVTVIAIQZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126803
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2c(s1)CCC2	ZINC22_6519876,PC-id_5176676,CHEMBL1402498,ChEMBL-DNDi_CHEMBL1402498,MCULE-5862837132,EMOLS-id_42670738	406.519	WOVGLKAVGMZYJG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126804
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CCCc2s1	CHEMBL1322848,ZINC22_7654296,PC-id_4790991,BindingDB_PC-id_4790991,CoCoCo_3308647,SCHEMBL16706098,BindingDB-id_165161	406.519	ZRAGLVPPHIQWLS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126805
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(c1ccccc1)Cc1ccccc1	MCULE-2374442861,EMOLS-id_328336029	406.519	GIYXAHYNZGEFDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126806
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)Cc1ccccc1	MCULE-2984520707,EMOLS-id_328220283	406.519	WWMKKSCJEOKRCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126807
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(c1ccccc1)c1ccccc1	MCULE-8296911298,EMOLS-id_328210303	406.519	NGXWEZLVZNPQDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126808
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1cc2c(s1)CCC2	CoCoCo_3758946,ZINC22_4949579,EMOLS-id_2985844,PC-id_4424629,MCULE-9041989934	406.519	NDUTYSKPJYYANC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-126809
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)N	PC-id_16837953	406.519	JAONHAOJCWHBCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126810
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1sc(c(c1)C)CC)C)C(=O)N	PC-id_8291955	406.519	FYNANGXSQYKEEG-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-126811
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1sc(c(c1)C)CC)C)C(=O)N	PC-id_8291956	406.519	FYNANGXSQYKEEG-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126812
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCCc1sccc1)C)C(=O)N	PC-id_8290897	406.519	YOOPFBUKGZYUQS-NSHDSACASA-N	00000010100100000000000010000000000000000000000000000000	25-01-126813
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCCc1sccc1)C)C(=O)N	PC-id_8290898	406.519	YOOPFBUKGZYUQS-LLVKDONJSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126814
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1sc(c(c1)C)CC)C)C(=O)N	PC-id_78656767	406.519	FYNANGXSQYKEEG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126815
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCCc1sccc1)C)C(=O)N	PC-id_78656375	406.519	YOOPFBUKGZYUQS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126816
s1c2c(CCC2)c(c1NC(=S)NCc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_19680186	406.519	FVHHBXZTDISDAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126817
CCN(c1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC	PC-id_92109547	406.521	UKRQCIYKZSUHDQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-126818
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1CC(=O)N(C1)c1ccccc1	PC-id_92109832	406.521	NTFFXYARIBNZJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126819
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Nc1ccc(cc1)C(C)(C)C	PC-id_92109577	406.521	HEWRKAXMMOHHJR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-126820
c1(NC(=O)Cc2cccs2)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913355,MCULE-2081626937,PC-id_44053084	406.522	XLOZZCJYGGJNBH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-126821
O=C(Cn1nc2c(c1NC(=O)Cc1cccs1)CSC2)NC[C@@H]1CCCO1	CoCoCo_5277630,PC-id_30862425,ZINC22_23139123	406.522	XLOZZCJYGGJNBH-LBPRGKRZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-126822
O=C(Cn1nc2c(c1NC(=O)Cc1cccs1)CSC2)NC[C@H]1CCCO1	ZINC22_23139126,PC-id_30862427,CoCoCo_5277631	406.522	XLOZZCJYGGJNBH-GFCCVEGCSA-N	00000010100100000001000010000000000000000000000000000000	25-01-126823
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)NC1CC1)C(=O)N	PC-id_30625228	406.522	YZHDWMREHRFJPC-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-126824
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)NCCOC)C#N	PC-id_30958838	406.522	LVJARTSQZAODKK-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-126825
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC=C)c(nn1)C)C(=O)OCC	PC-id_8023175	406.522	WCIFAATZUSTHCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126826
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC)C(=O)OC	PC-id_19726796	406.522	WQEBTYVORDZVNI-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-126827
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)C)C(=O)OCC	PC-id_19726726	406.522	HMPVRJWBBDANLK-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-126828
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC=C)C(=O)OC	PC-id_19716573	406.522	KJIJKJOPUBJEST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126829
S1Cc2c(nn(c2NC(=O)c2c(SC)cccc2)CC(=O)NCCOC)C1	PC-id_44053044	406.522	BXJHKDQHFKTCMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126830
S1(=O)(=O)C[C@H](n2nc(c(c2C)C=NNC(=O)c2sc3CCCc3c2)C)CC1	PC-id_9149497	406.522	AZYWUTRFOKXPTE-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-126831
S1(=O)(=O)C[C@@H](n2nc(c(c2C)C=NNC(=O)c2sc3CCCc3c2)C)CC1	PC-id_9149508	406.522	AZYWUTRFOKXPTE-AWEZNQCLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-126832
S1(=O)(=O)CC(n2nc(c(c2C)C=NNC(=O)c2sc3CCCc3c2)C)CC1	PC-id_84939462	406.522	AZYWUTRFOKXPTE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-126833
S(c1n(C2CC2)c(nn1)C)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_8723055	406.522	QFPDWGADFMBJNN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-126834
c1(NC(=O)CSc2cc(c3ccccc3)nc(C)n2)sc2c(CCC2)c1C#N	MCULE-4704386431,ZINC22_12016945,PC-id_23611397,EMOLS-id_14822589,CoCoCo_2248293	406.524	FAWOPUVZFJZCKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126835
Cc1cc(c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	ZINC22_8316276,PC-id_3337956,CoCoCo_4072152,EMOLS-id_11767967,MCULE-1612219611	406.524	GDGXVGCOXVNPJA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126836
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cn(nc1)Cc1ccccc1)C)C#N	PC-id_41155662	406.524	WRRZLQWPEFXEMD-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-126837
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C1CCCCC1)C(=O)N	PC-id_46639409	406.526	CZKAYJAYTLADEH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-126838
CC(c1nn2c(n1)c(=Cc1c3[nH]c(nn3nc1C(C)(C)C)C(C)C)c(n2)C(=C)C)C	SCHEMBL13965214	406.527	LXFSMINSDWUFQX-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-126839
CC(C)c1nn2c(n1)c(=Cc1c([nH]n3c1nc(n3)C(C)C)C(C)(C)C)c(n2)C(=C)C	PC-id_89211719	406.527	CRMAPCNFZNBRIN-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-126840
CCSC1=Nn2c(C1(N)Nc1c(SCC)[nH]n3c1nc(n3)C)nc(n2)CC	SCHEMBL7674395	406.532	HIFSOIVXYMQZOC-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-126841
S(C1=Nn2nc(nc2C1(Nc1c2n(nc1SCC)[nH]c(n2)C)N)CC)CC	PC-id_70159622	406.532	CXNPDWRNISBXNH-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-126842
CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	MCULE-7546983652,PC-id_3948594,ZINC22_5778866,EMOLS-id_43735264	406.539	INZORGGTVQSHQM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126843
CCCCCNC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC2	SCHEMBL20340342,PC-id_135188170	406.539	HFVYJBVXDNDBRG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126844
CCOC(=O)c1c(NC(=O)CCCCCC(=O)N2CCCC2)sc2CCCc12	EMOLS-id_328227335,MCULE-2677149667	406.539	ZAKUTOBKGZQJTK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126845
CCOC(=O)c1c(NC(=O)C(C)C(C)C(=O)NC2CCCC2)sc2CCCc12	MCULE-2165648529,EMOLS-id_328232227	406.539	YTONFWHDMQRNAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126846
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCC(C)C	PC-id_41732991	406.539	MXUKASKRJTXMKU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126847
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(CC)C	PC-id_45663332	406.539	AIVIHPPOGYBLEQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126848
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N(CC)CC	PC-id_45663333	406.539	SBTPEEZOQOAMOX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126849
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(C)(C)C	PC-id_45663334	406.539	XFNPZPWVIYGHLI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126850
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCCCC	PC-id_45663335	406.539	TUGXBHURZPZNHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126851
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N(C(C)C)C	PC-id_55402275	406.539	HLNYFCPTLPIGJM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126852
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N[C@@H](CC)C	PC-id_51481547	406.539	AIVIHPPOGYBLEQ-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126853
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N[C@H](CC)C	PC-id_51481548	406.539	AIVIHPPOGYBLEQ-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126854
O=C(N1CCC([NH+]2CCCCC2)CC1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_75829398	406.54	YPDAUWKTCLMJPL-UHFFFAOYSA-O	00000010100010110000100010000000000000000000000000000000	25-01-126855
O=C(N1CCC([NH+]2CCCCC2)CC1)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52340350	406.54	YPDAUWKTCLMJPL-NRFANRHFSA-O	00000010100010110000100010000000000000000000000000000000	25-01-126856
O=C(N1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52340352	406.54	YPDAUWKTCLMJPL-OAQYLSRUSA-O	00000010100010110000100010000000000000000000000000000000	25-01-126857
c1(NC(=O)CC2CCCCC2)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913375,MCULE-7914672100,PC-id_44053120	406.542	JYLAZDLBJKSPAD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126858
O=C(Cn1nc2c(c1NC(=O)CC1CCCCC1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277659,PC-id_30862490,ZINC22_23139192	406.542	JYLAZDLBJKSPAD-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126859
O=C(Cn1nc2c(c1NC(=O)CC1CCCCC1)CSC2)NC[C@@H]1CCCO1	PC-id_30862488,ZINC22_23139188,CoCoCo_5277658	406.542	JYLAZDLBJKSPAD-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126860
s1c2c(CCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCCC	PC-id_74378516	406.542	HPVYKZHAUJRGQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126861
s1c2c(CCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CC(C)C	PC-id_74378517	406.542	DGEISJUSIUOFDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126862
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)CNC(=O)C(C)C)C(=O)N	PC-id_56377717	406.542	VHHQGMZLZGCWIR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-126863
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)CC(C)C)C)C(=O)N	PC-id_24664262	406.542	KEXNXURQUJZKMH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126864
S1Cc2c(NC(=O)CCC3CCCC3)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053122	406.542	MDBPDCPGTUMASG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126865
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1nnc(C2CCCCC2)s1	EMOLS-id_328223615,MCULE-3598076794	406.544	YPUNFASNGZOVGT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126866
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1csc(n1)c1ccccc1	PC-id_92109678	406.544	YVWNUBKPDLAXQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126867
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)C#N	PC-id_2697838	406.544	CQDWTILAZYUIQJ-VMPITWQZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126868
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)C#N	PC-id_78290197	406.544	CQDWTILAZYUIQJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126869
CC(N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_57656805,SCHEMBL1943863	406.545	JHZNVWAGPFZBIW-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126870
CCSCc1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCC2)C#N	PC-id_136686734	406.545	JWGQQMIYXKOOAE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-126871
s1c2CCCc2nc1NC(=O)N1CCN(C(=O)C2NCCN(C2)C(C)C)CC1	PC-id_76584892	406.545	JHZNVWAGPFZBIW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126872
s1c2CCCc2cc1C(=O)Nc1c(c(cc(S(=O)(=O)N(CC)CC)c1)C)C	PC-id_8201793	406.562	JJKVUQYNCAYDGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126873
s1c2CCCc2cc1C(=O)NC(c1ccc(S(=O)(=O)N(CC)CC)cc1)C	PC-id_84956398	406.562	ILAHNZWMYSLSSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126874
s1c2CCCc2cc1C(=O)N[C@@H](c1ccc(S(=O)(=O)N(CC)CC)cc1)C	PC-id_9223909	406.562	ILAHNZWMYSLSSM-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126875
s1c2CCCc2cc1C(=O)N[C@H](c1ccc(S(=O)(=O)N(CC)CC)cc1)C	PC-id_9223910	406.562	ILAHNZWMYSLSSM-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126876
Brc1c(C(Cl)c2sc3c(CCC3)c2)cc(Br)cc1	PC-id_63429641	406.563	BWVNXJKNXACPIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126877
Cc1nc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n(CC(C)C)c1C	MCULE-6880482782,EMOLS-id_13461650,PC-id_17562207,ZINC22_5117919,CoCoCo_4182336	406.565	WXNSZBKJLLCPCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126878
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCCC)c(c(n1)C)C)C(=O)N	PC-id_18279695	406.565	DWAIUBKCBJPXFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126879
s1c2c(CCC2)c(c1NC(=S)NC(C(C)(C)C)Cn1nccc1)C(=O)OC	PC-id_20170879	406.565	HGXCMNFJUKCJES-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126880
c1(NC(=O)CCCCCCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334338978,MCULE-5936546010	406.582	OIKGVXQEYNHZOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126881
CCCNC(=O)c1c(NC(=O)C2C(C2(C)C)(C)C)sc2c1C(C)(C)OC2(C)C	PC-id_24772798,SCHEMBL2162602	406.582	TVMOAWHWXNENPZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-126882
S1(=O)(=O)C(Cc2c1sc(c2)CC(S(=O)(=O)N)(C)C)(CN1CCCC1)C	PC-id_19759905	406.584	JUWCJBKXKVUTNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126883
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)CC(=O)NCCC	PC-id_44052863	406.585	NHGPIOPWCGODCX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-126884
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCCCCCCCCCC1	MCULE-1923181683,EMOLS-id_328212596	406.603	JVNZUJHPOMAOCS-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-126885
CCCCC(COCC1=C(COCC(CCCC)CC)c2c(C1)csc2)CC	PC-id_101897937	406.665	RAPLTQGIQJSCFT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-126886
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)ccc1O	EMOLS-id_324910095	406.671	BTXOXURCWGKHJW-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-126887
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1O	EMOLS-id_324914178	406.671	XOKXZKMHULBZHK-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126888
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1OC	EMOLS-id_324908559	406.671	AINJYXYSXIFIQL-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-126889
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1OC	EMOLS-id_324912131	406.671	RYTOLUCRSXFBQW-TWGQIWQCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126890
COc1ccc(OC)c(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1	EMOLS-id_324912643	406.671	OZAALSQEPVADMN-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-126891
n12c(=O)c(=Cc3cccc(OC)c3OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1331864635	406.671	RYTOLUCRSXFBQW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126892
n12c(=O)c(=Cc3ccc(c(OC)c3)OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1849532529	406.671	AINJYXYSXIFIQL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126893
n12c(=O)c(=Cc3cccc(OCC)c3O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-2489487067	406.671	XOKXZKMHULBZHK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126894
n12c(=O)c(=Cc3ccc(c(OCC)c3)O)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-6205073309	406.671	BTXOXURCWGKHJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126895
n12c(=O)c(=Cc3cc(OC)ccc3OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1462298820	406.671	OZAALSQEPVADMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126896
Brc1cc(ccc1Cl)S(=O)(=O)NCc1sc2c(c1)CCC2	PC-id_106611019	406.746	NOARSDSPZTZNLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126897
Brc1cc(Cl)c(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1	PC-id_63422396	406.746	CXDPPXDVKIUTRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126898
Clc1c(NC(=O)Nc2nn3c(C(C(=C3)C(F)(F)F)C#N)c2C#N)cc(cc1)C	PC-id_54103335	406.749	NCAYXQJLVXHGOH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-126899
CC1(c2nn(c(c2CN1C(=O)Cl)NC(=O)Cc1ccc(cc1)OC)C(=O)O)C	SCHEMBL15252785,PC-id_89801112	406.82	HKRNHPBTINEFNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126900
CCOC(=O)c1c(C)c(n2c1C(CC2)C(=O)OCC)C(=O)c1ccc(n1C)Cl	SCHEMBL11002561,PC-id_13424023	406.86	UDNQIJFZHKBDCJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-126901
Clc1ccc(cc1)COC1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5542128,PC-id_69481290	406.863	YASOSXAUFNDRCC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126902
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccc(cc1)Cl	ZINC22_17087563,MCULE-6111144473,CoCoCo_6834059,TIMTEC313401,PC-id_17378017,EMOLS-id_4085966	406.883	MNHDNAXMGPVZJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126903
CCOC(=O)c1c(NC(=O)CNC(=O)c2ccc(Cl)cc2)sc2CCCc12	EMOLS-id_327762403,MCULE-6729065369	406.883	YKNBRCNCODQXKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126904
Clc1c(CC(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_78667900	406.883	FKJBXCFLRZBALB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126905
Clc1c(CC(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_8331933	406.883	FKJBXCFLRZBALB-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-126906
Clc1c(CC(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_8331937	406.883	FKJBXCFLRZBALB-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126907
CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cc2c(s1)CCC2	EMOLS-id_31833181,MCULE-1326297098,ZINC22_4581548,PC-id_7291950	406.883	CRUGMQKHGZHLGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126908
NC(=O)c1c(NC(=O)CCC(=O)OCc2cccc(Cl)c2)sc2c1CCC2	EMOLS-id_3103373,PC-id_2365052,ZINC22_3247843,CoCoCo_3636698,MCULE-7790001264	406.883	ROPBGXIOSNIKIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126909
c1(ccccc1C(=O)Nc1sc2CCCc2c1C#N)C(=O)c1ccc(cc1)Cl	EMOLS-id_328033778,MCULE-7140445173	406.885	HQUUFSSADXQMDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126910
c1(NC(=O)C2CC(=O)N(c3ccc(c(Cl)c3)OC)C2)n(C)nc2CSCc12	PC-id_134703420,MCULE-5086646827,EMOLS-id_316165593	406.886	BPRHZCZUMWZXGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126911
c1(NC(=O)C2CC(=O)N(c3c(OC)ccc(Cl)c3)C2)n(C)nc2CSCc12	EMOLS-id_334564283,MCULE-8135317714	406.886	YAQAFOQXVBBROQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126912
COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1Cl	ZINC22_1529145528	406.886	BPRHZCZUMWZXGI-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-126913
COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1Cl	ZINC22_1529145531	406.886	BPRHZCZUMWZXGI-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126914
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339503,MCULE-8797561516	406.906	XKOPOKLWIFIZMR-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-126915
c1(NC(=O)CS(=O)CC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-6233145160,EMOLS-id_320679020	406.906	DNEHLWHKTVVWAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126916
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc(SC)cc1	PC-id_8012459	406.906	REKQJAODBFQGFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126917
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386459,MCULE-6879901163	406.926	ORGMWDHIZVCFSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126918
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_19191116,MCULE-8997963342	406.926	LOFSCSYZHAXZJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126919
CCCCN1/C(=C/C(=O)c2cc(Cl)ccc2OC)/SC2=C1C(=O)NC2(C)C	SCHEMBL4782983,PC-id_69188045	406.926	WVHBOBMIZGLVCM-WJDWOHSUSA-N	00000011000000110001000010000000000000000000000000000000	25-01-126920
Clc1ccc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc1	PC-id_2698832	406.926	BQLJGBSTEVDQAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126921
Clc1cc(C(=O)C=C2SC3=C(C(=O)NC3(C)C)N2CCCC)c(OC)cc1	PC-id_69188054	406.926	WVHBOBMIZGLVCM-UHFFFAOYSA-N	00000011000000110001000010000000000000000000000000000000	25-01-126922
Clc1cc(C(=O)/N=c/2sc3c(n2CC2CCOCC2)CCC3)c(OC)cc1	SCHEMBL3388316,PC-id_24896961	406.926	JJRBPRCMADRHGT-XDOYNYLZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126923
Clc1c(C(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cccc1	PC-id_22830044	406.926	CQBBYCMBZKXCBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126924
ClC1c2[nH]c(cc2SC1)C(=O)S(=O)(=O)N(CC(N)c1sccn1)C	PC-id_10201415	406.931	PPNSJMKRTHOHHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126925
CC(C)(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1cccc(Cl)c1	MCULE-3630877133,EMOLS-id_328215423	406.948	MOFYNSLGRZYXKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126926
CC(n1cc2c(c1)N([Ge](N2C(C)(C)C)(Cl)Cl)C(C)(C)C)(C)C	PC-id_102186451	406.968	GWSKKEDDVKEBDG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126927
BrC1(Br)C(NC(=O)C(F)(F)F)c2c(scc2)C1=O	PC-id_14144505	407.002	IDQXFRDUUXBPKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126928
Brc1sc(Br)c2c1C(NC(=O)C(F)(F)F)CC2=O	SCHEMBL75878,PC-id_14932906	407.002	DCYNBGBFOVOEAR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126929
CCCCCCCCN1C(=O)c2c(C1=O)c(oc2Br)Br	PC-id_90042495,SCHEMBL15571762	407.098	MKZGGZRNGHPFHE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126930
c1(C(=O)Nc2sc3CCCc3c2C#N)c(Cl)c(Cl)c(c(Cl)n1)Cl	MCULE-7122613084,EMOLS-id_327921504	407.102	SDBLGACOAFMYIO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-126931
C1C2=CN(N=C2CN1C(=O)CC3=CC=CC=C3F)SC4=CN(N=C4)CC(F)F	PC-id_164871992	407.103	PMEGLZRHEVMWHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126932
C1C=C2C(=C1)SC=C2CC(C(=O)C(=O)N)NC(=O)C3=CC=NN3C4=CC=CC=N4	PC-id_160976141	407.105	SYWVMERWGWVVQJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-126933
C1C=C2C(=C1)SC=C2CC(C(=O)C(=O)N)NC(=O)C3=CN=CN3C4=CC=CC=N4	PC-id_161119620	407.105	UKTVPTFYUUSPES-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-126934
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NCCO)F	PC-id_153293028	407.105	GHWPQWNILJUCTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126935
C1C2=C(CN1C(=O)NC(=O)C3=CC=CC=C3)NN=C2C(C4=CC(=CC=C4)F)C(=O)N	PC-id_153863830	407.139	WWIZFVYHQPZMJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126936
C1C2=C(CN1C(=O)NC(=O)C3=CC=CC=C3)NN=C2C(C4=CC=C(C=C4)F)C(=O)N	PC-id_153863831	407.139	ZTVBKCQABSMHBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126937
Brc1c(OCC)c(NC2CCc3sc(Cl)cc23)cc(Cl)c1	PC-id_81233604	407.153	ORPBGENWJPEWDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126938
CCCCCCCCC1=NC(=O)c2c1c(Br)sc2Br	PC-id_118579536,SCHEMBL17339895	407.164	VPSWCDOZSXILRU-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-126939
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3Cl)C(=NOC4CCCC4N)N)F	PC-id_154011393	407.176	ZZFQICVUKMAUTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126940
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3Cl)C(=NOC4CCC(C4)N)N)F	PC-id_154011395	407.176	ZBBQBFSCRBXBRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126941
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3Cl)C(=NOC4CCNCC4)N)F	PC-id_154011385	407.176	IYCGWCUHBUSPFW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-126942
Brc1cc(sc1Br)C(NC)c1sc2c(CCC2)c1	PC-id_80533079	407.187	WTRZARSZAYHWPQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126943
Brc1sc(Br)cc1C(NC)c1sc2c(CCC2)c1	PC-id_43486870	407.187	LYHGHHNCOBBAEV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126944
Brc1sc(cc1Br)CNCc1sc2c(c1)CCC2	PC-id_113742702	407.187	HMQTXFYZCYYJSV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126945
CCOC(=O)c1n(C(=O)OC(C)(C)C)c(c2c1COC2)I	SCHEMBL19318767	407.201	KWRJFZWNNIDMBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126946
CCOC(=O)C1N(Cc2c1[nH]nc2I)C(=O)OC(C)(C)C	SCHEMBL6439922,PC-id_69781491	407.204	SMLDCALMTAHXSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126947
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)I	SCHEMBL5720820,PC-id_69543289	407.204	CUUHKXSAYYNGMQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126948
Brc1cc(c(NC(=O)CNC(=O)NCc2n3CCCc3nn2)cc1)C	PC-id_52380272	407.265	NXNCSBGMEIENBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126949
Brc1cc(C(=O)Nc2n[nH]c3c2CN(NC(=O)NC(C)C)C3)ccc1	PC-id_68440125,SCHEMBL2916979	407.265	JPWGBYLNNJWQOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126950
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc[nH]3)/c(=O)n2n1	EMOLS-id_324912654	407.274	UUQIHAKLECWSGT-ZSOIEALJSA-N	00000000110000110001000010000000000000000000000000000000	25-01-126951
n12c(=O)c(=Cc3ccc[nH]3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-7247648983	407.274	UUQIHAKLECWSGT-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-126952
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1CBr	MCULE-5054456709,EMOLS-id_331015606	407.302	OVMGGNXLXDXFNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126953
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC	PC-id_3625321	407.304	PKDRZBMHBMAMRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-126954
CC1(c2c(CN1C(=O)O)c(nn2C(=O)O)NC(=O)c1c(cccc1F)[N+](=O)[O-])C	PC-id_91147325	407.31	PUFKARGUYHDGHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126955
CC1(c2nn(c(c2CN1C(=O)O)NC(=O)c1c(cc(cc1)F)[N+](=O)[O-])C(=O)O)C	PC-id_91574704	407.31	JUZUDTUCJCBREN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126956
CC1(Cn2cc(nc2S1(=O)=O)[N+](=O)[O-])COc1ccc(cc1)OC(F)(F)F	PC-id_137657332	407.322	OYWZLUSXGSHJED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126957
Brc1cc(c(NC(=O)CN(C(=O)c2sc3CCCc3c2)C)cc1)C	GD-id_ZINC08250039,PC-id_9378882	407.325	SAABCTPKODSSKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126958
c1(c2CCCc2sc1NC(=O)C(C)C)C(=O)Nc1ccc(cc1)Br	CoCoCo_134991,ChEMBL-DNDi_CHEMBL5659112,PC-id_1049843,BAS-00795816,MCULE-1392485428,EMOLS-id_1277432,ZINC22_727350,STOCK3S-20207	407.325	SVKAFNANNQXSLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126959
O=C(Nc1ccc(cc1C)Br)CCNC(=O)c1sc2c(c1)CCC2	PC-id_86880731	407.325	VKILZLLQYHJSIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126960
Brc1c(S(=O)(=O)Nc2sc3c(CCC3)c2C(=O)N)scc1	PC-id_61456117	407.326	CFMGEHYSMFTKNL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126961
Brc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_60641419	407.326	TUIXOSZXAYRMEI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126962
Brc1sc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_8474187	407.326	XCTKPYFMGDZFNI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-126963
FC(F)(F)c1n(ncc1C(=O)NCCc1n2CCCc2nn1)c1nnc([O-])cc1	PC-id_52525254	407.33	CWPRGPIONSPDHK-UHFFFAOYSA-M	00000010100000100001100010000000000000000000000000000000	25-01-126964
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)Nc1ccc(c(c1)Cl)Cl	PC-id_92109972	407.337	DEQTYSSDHYKBOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126965
O=C(C1CC(=O)c2n1ccc2)Nc1ncc(s1)c1ccc(cc1)OC(F)(F)F	PC-id_142624011	407.366	WBABEXZYEMBXHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-126966
O=CCCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261644	407.386	RZSUJBIXYYWRSV-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126967
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)C(=O)Nc1ccccc1C(F)(F)F	EMOLS-id_207863028,MCULE-5268856002	407.39	KDKJXCPPDKDOFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126968
Fc1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NC(=O)c2ccccc2)cc1	SCHEMBL2920064,PC-id_68441166	407.398	SYJSNPPCPHNPSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126969
Fc1cc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NC(=O)c2ccccc2)ccc1	PC-id_68441517,SCHEMBL2921183	407.398	APQSWCUMHLCJAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126970
Fc1c(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NC(=O)c2ccccc2)cccc1	PC-id_68442435,SCHEMBL2923511	407.398	LEHQONYQOYIIBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126971
C(F)(F)(F)C(=O)NC(c1ccccc1)CC(=O)Nc1sc2CCCc2c1C#N	MCULE-9992361816,EMOLS-id_328023573	407.409	RGOLBPHBPMIOIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126972
c12CN(Cc1nn(CC(F)F)c2C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	MCULE-9476208099,EMOLS-id_324348517	407.411	VJMHZVDMNHGSJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126973
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)c(OC)cc1)C(=O)OC	PC-id_7991525	407.413	NSUUPWOWKRBFRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126974
s1c2c(CCC2)c(c1NC(=O)CNc1cc([N+](=O)[O-])c(F)cc1)C(=O)OCC	PC-id_9099847	407.416	KUFVECMBLRTOAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126975
COC(=O)c1ccc(cc1)/C=c/1sc2n(c1=O)nc(n2)/C=C/c1ccc(cc1)F	STOCK4S-48634,ZINC22_5180193,EMOLS-id_206990084	407.418	ZWJKAXLLSSWEDO-PWFSRHFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126976
n12nc(nc1sc(=Cc1ccc(cc1)C(=O)OC)c2=O)C=Cc1ccc(cc1)F	MCULE-9513936507	407.418	ZWJKAXLLSSWEDO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126977
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)F	MCULE-1334414100	407.418	IDWLKVUTUJZHDA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126978
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)C=Cc1ccc(cc1)F	MCULE-7459653712	407.418	DXFWKPSAKCNOEF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-126979
c1(C(=O)N2CCN(CC2)C(=O)c2ccco2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316323642,MCULE-3945872041	407.423	GQMBHHSXIBCQDZ-KRWDZBQOSA-N	00000010101010101001000010000000000000000000000000000000	25-01-126980
CCN1Cc2c(C1=O)c(c([nH]2)C(=O)Nc1cc(ccc1C)C(=O)Nc1nocc1)C	SCHEMBL10090835,PC-id_59761420	407.423	PEOABXCCKRCSOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126981
COc1ccc(c(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)OC	PC-id_68439857,SCHEMBL2916150	407.423	SDMZNBBCFQZDJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126982
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)OC	SCHEMBL2915978,PC-id_68439796	407.423	UBGIGSKTUVCCIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126983
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2914375,PC-id_68439187	407.423	HZZVDSJCPPPSDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126984
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	PC-id_68442087,SCHEMBL2922677	407.423	VRZLTTADANTZAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126985
O=C(c1nn2c(c1)CC(C2)Oc1cccnc1)N1CCN(CC1)C(=O)c1ccco1	MCULE-2847561853	407.423	GQMBHHSXIBCQDZ-UHFFFAOYSA-N	00000010101010101001000010000000000000000000000000000000	25-01-126986
CCCCCCC1C(=O)Oc2c1n(C)c(c2C)C(=O)c1ccc(cc1)C(F)(F)F	PC-id_53942181,SCHEMBL7677090	407.426	IYOWMPWNQHTXNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-126987
O=C(c1ccccc1OC(F)(F)F)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109939	407.429	RZETVXNWWSKIEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126988
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)OC(F)(F)F	PC-id_92109885	407.429	TYEJAPAHZCSGLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126989
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1cccc(c1)OC(F)(F)F	PC-id_92109940	407.429	NSQUYZXMIBWPJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126990
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1c(F)cccc1F)Cc1ccco1	PC-id_92109623	407.434	GKLOIUCJTBLJEE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-126991
Fc1cc(ccc1F)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109635	407.434	MDOCGNSPZSZXGV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-126992
Fc1ccc(c(c1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)F	PC-id_92109627	407.434	ODJNBMLZESENJY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-126993
CN=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)NCc1nnc2n1CCC2	PC-id_111234099	407.436	ZYUZQHVXOINXDR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-126994
c1(C(=O)N2CCN(CC2)c2ccccc2F)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316325178,MCULE-9766068839	407.441	UAVSPUUSZQNBGB-SFHVURJKSA-N	00000010100010111001100010000000000000000000000000000000	25-01-126995
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)NCc3ccc(cc3)F)Cc12	EMOLS-id_316321594,MCULE-7548512187	407.441	NMUPGEUCBWAHPK-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126996
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)NCc3ccc(cc3)F)Cc12	MCULE-9552922109	407.441	NMUPGEUCBWAHPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-126997
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)N1CCN(CC1)c1ccccc1F	MCULE-2137020214	407.441	UAVSPUUSZQNBGB-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-126998
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(C(C)C)C(=O)C1=O)C(=O)OCC	PC-id_7652267	407.441	NCWBGOBWONCERW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-126999
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(CCC)C(=O)C1=O)C(=O)OCC	PC-id_8626290	407.441	RUFXAMWMSGYTNM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127000
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccccc1	PC-id_1268009,BAS-00486923,CoCoCo_81788,EMOLS-id_1231043,ZINC22_1081038,MCULE-8953560739	407.442	AGJIHFNUTQMJOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127001
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccco2)sc2c(CCC2)c1C#N	MCULE-3924478564,EMOLS-id_323170092	407.442	KMPDULFSQLQXEP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-127002
c1(NC(=O)COc2ccc(cc2)NC(=O)c2ccco2)sc2c(CCC2)c1C#N	MCULE-9763963881,EMOLS-id_323165649	407.442	OGFBVWMNLNEONN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-127003
Cc1onc(c2ccccc2)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_7581396,CoCoCo_2839004,ZINC22_5244092,EMOLS-id_43696252,MCULE-2554210732	407.442	JXXXPVWWMXXMKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127004
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)Cc1ccccc1	MCULE-4189235386	407.442	SSJGNZMJWYKRBM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127005
CC1(C)N(Cc2c(Nc3ncncc3F)[nH]nc12)C(=O)N[C@H]1C[C@@H]1c1ccccc1	PC-id_59474172,BindingDB-id_218938,SCHEMBL12143793,BindingDB_PC-id_59474172	407.444	BRQLCBZGVRLZMJ-CJNGLKHVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-127006
CCOC(=O)C1CCc2c1nc(s2)NC(=O)CNC(=O)c1cn(nc1OC)C	PC-id_121092009	407.444	NLFXWRSGPSDOFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127007
Fc1c(Nc2n[nH]c3C(N(C(=O)NC4C(C4)c4ccccc4)Cc23)(C)C)ncnc1	SCHEMBL3503967,PC-id_68668601	407.444	BRQLCBZGVRLZMJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-127008
Fc1c(Nc2n[nH]c3C(N(C(=O)N[C@H]4[C@@H](C4)c4ccccc4)Cc23)(C)C)ncnc1	PC-id_67219966,SCHEMBL1941699	407.444	BRQLCBZGVRLZMJ-XJKSGUPXSA-N	00100010100000110001100010000000000000000000000000000000	25-01-127009
S(=O)(=O)(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)OCC)C1)N(C)C	PC-id_71477566	407.444	PPRJXTQWDOBCNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127010
C1c2c(CN1S(=O)(=O)Cc1ccccc1)n(nc2)NC(=O)c1cccc(c1)C#N	PC-id_91119996	407.446	WHZDXLIQIPIREQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127011
C1c2c(CN1S(=O)(=O)Cc1ccccc1)n(nc2)NC(=O)c1ccc(cc1)C#N	PC-id_91131021	407.446	DOSKQFXZRZKBLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127012
N#Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68439403,SCHEMBL2914910	407.446	VOCCGPZTNUCNPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127013
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68441339,SCHEMBL2920588	407.446	PZFZJRKXPWWBBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127014
N#Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68440805,SCHEMBL2919056	407.446	XYXLPZXXRHKCOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127015
N#Cc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2918052,PC-id_68440510	407.446	AFIUWLJTRGNSRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127016
N#Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251743	407.446	HMFUVZWETQYJPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127017
N#Cc1cccc(c1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251751	407.446	JVBOVYRNTRZKAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127018
N#Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	PC-id_68439404,SCHEMBL2914913	407.446	HLBXRJDBXJDJFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127019
N#Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	PC-id_68441340,SCHEMBL2920591	407.446	UMKCTAUTDPBMQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127020
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)/C=C/c1cccs1	SCHEMBL2918604,PC-id_68440676	407.446	QKFOKAZUWOUSTD-CMDGGOBGSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127021
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)/C=C/c1cscc1	SCHEMBL2922812,PC-id_68442152	407.446	SCBACKCWIASHSJ-VOTSOKGWSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127022
s1c2CCCc2c(c1NC(=O)COC(=O)c1nn(nc1C)c1ccccc1)C#N	PC-id_8390087	407.446	ZAUGWQNBKSDGHK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127023
s1cc(C=CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NC(=O)c2ccccc2)cc1	PC-id_68442155	407.446	SCBACKCWIASHSJ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127024
s1c(C=CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NC(=O)c2ccccc2)ccc1	PC-id_68440679	407.446	QKFOKAZUWOUSTD-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127025
s1c2c(CCC2)c(c1Nc1nc(NC(CC)CO)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787951	407.447	BMQGSMKSBJKCJH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127026
s1c2c(CCC2)c(c1Nc1nc(NCCCOC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127472	407.447	FCCXPDYQXJWKPH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127027
s1c2c(CCC2)c(c1Nc1nc(NC(COC)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787952	407.447	VXZLQQUYJXXHAL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127028
s1c2c(CCC2)c(c1Nc1nc(N[C@@H](CC)CO)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127549	407.447	BMQGSMKSBJKCJH-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127029
s1c2c(CCC2)c(c1Nc1nc(N[C@H](CC)CO)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127550	407.447	BMQGSMKSBJKCJH-SSDOTTSWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127030
s1c2c(CCC2)c(c1Nc1nc(N[C@H](COC)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127552	407.447	VXZLQQUYJXXHAL-ZETCQYMHSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127031
s1c2c(CCC2)c(c1Nc1nc(N[C@@H](COC)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127553	407.447	VXZLQQUYJXXHAL-SSDOTTSWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127032
FC(F)(F)c1ccccc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324905477	407.453	ODCMNKFTMXTSDC-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127033
FC(F)(F)c1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324904965	407.453	GISBNCCVGAIRSJ-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127034
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCC1CCCCC1	MCULE-1580402790	407.453	GISBNCCVGAIRSJ-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127035
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCC1CCCCC1	MCULE-6712499867	407.453	ODCMNKFTMXTSDC-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127036
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(cccc1)C(F)(F)F)C)C#N	PC-id_24664992	407.453	AOMKOZAUCAIQLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127037
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1	ZINC22_27023167,EMOLS-id_45970858	407.461	HJLPHPHREUBLJP-ZMLBWKPJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127038
n12nc(nc1sc(=Cc1ccc(cc1)OCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-2959550122	407.461	HJLPHPHREUBLJP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127039
n12nc(nc1sc(=Cc1ccccc1OCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-8668602047	407.461	NZNHDLNRCQRWIK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127040
s1c2c(CCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OC)cc1)C(=O)OC	PC-id_20411888	407.464	WBQRWWCUTOQLCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127041
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_20412408	407.464	DIWYQAXHSGWWCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127042
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC)cc([N+](=O)[O-])cc1)C(=O)OC	PC-id_20412533	407.464	QVFYDCLWJBGRPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127043
c1(C(=O)N2CCN(CC2)C(=O)C2CC(=O)N(c3ccccc3)C2)c2CCCc2[nH]n1	EMOLS-id_323258810,MCULE-7631146186	407.466	SOFMCKVLYQHQST-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127044
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCc3c(C)noc3C)Cc12	MCULE-7597503665,EMOLS-id_316319547	407.466	AYBNXTBMHZIDOF-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127045
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCc3c(C)noc3C)Cc12	MCULE-4368733672	407.466	AYBNXTBMHZIDOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127046
COC1(c2nc(Cc3ccccc3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_574656810,MCULE-8701489124,EMOLS-id_316117746	407.466	PGYSHXIYESFENY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127047
N#Cc1c2CCCn2c(c1NC(=O)CN1CCOCC1)C(=O)Nc1ccc(cc1)C	CoCoCo_5763413,PC-id_393855,NSC696782	407.466	AKMKHWJFVFXVDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127048
O1CCN(CC(=O)Nc2c(n3c(CCC3)c2C#N)C(=O)Nc2c(cccc2)C)CC1	PC-id_51039305	407.466	ZEYGFISHNKDWHX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127049
O(Cc1cc(NC(=O)NCc2n3CCCc3nn2)ccc1)CCOc1ccccc1	PC-id_60488055	407.466	ZCRQGAGMAHVQMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127050
O(CCN(c1cc(c(Nc2n3C(N=Nc3c(c2[N+]#[C-])C#N)C)cc1)C)CC)CCO	PC-id_59091095	407.469	AIRBXCDWEVAHAI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-127051
C[NH+](CCNc1nc(N)c(c(n1)Nc1sc2c(c1C(=O)N)CCC2)[N+](=O)[O-])C	PC-id_52127503,GD-id_ZINC41301852	407.471	AJUARUUWXIJRPM-UHFFFAOYSA-O	00000010100000100001000010000000000000000000000000000000	25-01-127052
Cc1ncc(cn1)C(CNC(=O)C1CCc2ncsc12)N1CCC(F)(F)CC1	BindingDB-id_412964,PC-id_90303339,SCHEMBL15903428,BindingDB_PC-id_90303339	407.481	OLOYSGAAYHMWMM-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-127053
c1(NC(=O)c2ccc(cc2)Oc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5420492,MCULE-3406274516,ZINC22_4069860,PC-id_4343858,CoCoCo_4967807	407.482	KKLXBXPCJIPNPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127054
c1(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_3395818,CoCoCo_1661614,MCULE-2126143879,EMOLS-id_6179909	407.482	LIBQIQHCRKOTOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127055
c1(NC(=O)COc2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)OC	CoCoCo_5840107,PC-id_978575,MCULE-5119784671,TIMTEC509033,SPECS-id_AT-225/NB59991,ZINC22_622425	407.482	VRONZACBTPPVAC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127056
CCOC(=O)c1c(NC(=O)/C(=C/c2ccco2)/c2ccccc2)sc2c1CCC2	ZINC22_408578894	407.482	WLQHYGFPYGPRGM-NBVRZTHBSA-N	00000010101000110000000010000000000000000000000000000000	25-01-127057
COc1cccc(c1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331268719	407.482	QBQJNWZOPLEWSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127058
COc1ccc(cc1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331269231	407.482	IFBYDFKLNTVCPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127059
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(Oc2ccccc2)cc1)C	PC-id_4008560	407.482	ODAKSHLFOSNJFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127060
s1c2c(CCC2)c(c1NC(=O)Cc1cc(Oc2ccccc2)ccc1)C(=O)OC	PC-id_11668636	407.482	FFYJBXVVHCQCQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127061
c1(NC(=O)Cc2ccc(c(OC)c2)OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_4356799,MCULE-4449464375,EMOLS-id_32237938,ZINC22_4088612,CHEMBL1366043,CoCoCo_4982175	407.484	TZCPMGMGBLDRJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127062
c1(NC(=O)COc2ccc(cc2)OCC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_7484613,EMOLS-id_12136966,ZINC22_5077930,CoCoCo_5065665,MCULE-9765299410	407.484	CGJWUVOVQWWOAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127063
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CC(=O)N(C1)C1CCOCC1	PC-id_90567979	407.484	VEHMNJGJDZBKFC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-127064
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@H](C2=O)CC(C)C)sc2c1CCC2	PC-id_2379752,CoCoCo_2823831	407.484	JTKUXHLDPGWBLD-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127065
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@H](C2=O)CC(C)C)sc2c1CCC2	PC-id_2379754,CoCoCo_2823832	407.484	JTKUXHLDPGWBLD-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127066
COc1cc(cc(c1OC)OC)C(=O)Nc1c2C[S@](=O)Cc2nn1C(C)(C)C	PC-id_11863952,CoCoCo_4985705	407.484	HKCZLPRGJOTEQG-NDEPHWFRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127067
COc1cc(cc(c1OC)OC)C(=O)Nc1c2C[S@@](=O)Cc2nn1C(C)(C)C	PC-id_11877800,CoCoCo_4985706	407.484	HKCZLPRGJOTEQG-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127068
COc1cc(cc(c1OC)OC)C(=O)Nc1c2CS(=O)Cc2nn1C(C)(C)C	PC-id_2160521,EMOLS-id_5443119	407.484	HKCZLPRGJOTEQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127069
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C(=O)NC(=O)N	PC-id_45663354	407.484	JYTGNFKEZAYCCY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127070
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NC	PC-id_45663344	407.484	VYMBDNQIZKTQDR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127071
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C)C(=O)NC(=O)N	PC-id_51481560	407.484	JYTGNFKEZAYCCY-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-127072
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C)C(=O)NC(=O)N	PC-id_51481561	407.484	JYTGNFKEZAYCCY-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127073
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CN1CCCCCC1=O)C)C(=O)N	PC-id_8573225	407.484	GUCHFBANWWOXLU-NSHDSACASA-N	00000010100000000100000010000000000000000000000000000000	25-01-127074
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CN1CCCCCC1=O)C)C(=O)N	PC-id_8573230	407.484	GUCHFBANWWOXLU-LLVKDONJSA-N	00000010100000000100000010000000000000000000000000000000	25-01-127075
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)CC(C)C)C(=O)OCC	PC-id_3562778	407.484	JTKUXHLDPGWBLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127076
s1c2CCCc2c(c1NC(=O)COC(=O)CCCNC(=O)OC(C)(C)C)C#N	PC-id_8947037	407.484	WHQGHXRPNWSIIG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127077
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CN1CCCCCC1=O)C)C(=O)N	PC-id_78727360	407.484	GUCHFBANWWOXLU-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-127078
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)C1CCCCC1)C(=O)N	PC-id_4210345	407.484	QXBCYEUCUYWMSP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127079
c1(c2CCCc2sc1N=Cc1ccccn1)C(=O)Nc1ccc(cc1OC)OC	MCULE-7109897858,PC-id_3651807	407.485	BJTVXRPPISTUDH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127080
c1(c2CCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccc(cc1)OCC	BAS-00486953,CoCoCo_81808,ZINC22_1081029,PC-id_1268000,MCULE-3541000432,EMOLS-id_1231081	407.485	ZLWSQQPRFLYDTF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127081
c1(c2CCCc2sc1NC(=O)c1ccncc1)C(=O)Nc1ccc(cc1)OCC	CoCoCo_666390,ZINC22_3100280,MCULE-2010520787,EMOLS-id_2301672,PC-id_2854375	407.485	JJSITLNGKKLWOP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127082
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-8644106462,PC-id_18883963	407.485	VSBWZRNNPYZQOE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127083
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	TIMTEC525238,EMOLS-id_9388319,CoCoCo_6329950,ZINC22_27663088,PC-id_17012680,MCULE-5405146760	407.485	WJQMYFFQXYAFSX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127084
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883964,MCULE-1149387556	407.485	QBLSSYZWLHLGMV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127085
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)NCc1cccnc1	TIMTEC317067,PC-id_2986963,EMOLS-id_2527419,CoCoCo_582314,MCULE-2785851575,ZINC22_4840185	407.485	MRICDQMATGSSSO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127086
CCc1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324926470	407.485	YZJWNTNBDXIHSS-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127087
CCCc1nc2s/c(=Cc3ccc(OCc4ccccc4)c(OC)c3)/c(=O)n2n1	EMOLS-id_324846308	407.485	YNEQTJHPRNQSPI-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127088
CCCOc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324833529	407.485	WWRJTHINFQFFFH-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127089
CC(C)Oc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324849905	407.485	WVDUGHMDGKJLKY-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127090
CCCOc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324852976	407.485	QBFOHZFXYLXKLT-CYVLTUHYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127091
CCCOc1cccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324867081	407.485	PCTZODAHVKQABT-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127092
CC(C)Oc1cccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324868105	407.485	YDYQVDCOZYUVQO-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127093
CCOc1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)ccc1OC	EMOLS-id_324838651	407.485	WCPSIVSYIYJBQQ-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127094
CCOc1cc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)ccc1O	EMOLS-id_324902925	407.485	PWZZZYYNHXUPHO-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127095
CCOc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324836600	407.485	AFULWAZUYNRQTD-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127096
CCOc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324837628	407.485	HKTBZNPIHNWYIN-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127097
CCOc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324850421	407.485	LBGSMGIAQCDJNE-CYVLTUHYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127098
CCOc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324873734	407.485	ADNJTCRKVXUWOS-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127099
CCOc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324875785	407.485	MLYDFILDKXFNCM-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127100
CCOc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324881931	407.485	CMLDKDYLKUSKAN-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127101
CCOc1ccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)cc1	EMOLS-id_324883982	407.485	JMQCKCFHTGGALX-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127102
CCOc1ccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)cc1	EMOLS-id_324889095	407.485	XKVASJVXEDEUJU-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127103
CCOc1cccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)c1O	EMOLS-id_324907008	407.485	KZAHWGKFHMRBDJ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127104
CCOc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324852985	407.485	PSPFVFJBGNSBBR-CYVLTUHYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127105
CCOc1cccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1	EMOLS-id_324872203	407.485	PEZFDADGBMZWQN-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127106
CCOc1cccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1	EMOLS-id_324874254	407.485	RABATAGTFXMJLQ-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127107
CCOc1cccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)c1	EMOLS-id_324884480	407.485	RTPGMQZPYVAJOL-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127108
CCOc1cccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)c1	EMOLS-id_324886531	407.485	HEXURNCAYLMBPG-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127109
CCOc1cccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)c1	EMOLS-id_324887564	407.485	SIXNRBRZRLYMPX-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127110
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(CC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324879361	407.485	WWUVUGDWJZJRHV-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127111
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)C)ccc1OCc1ccccc1	EMOLS-id_324848365	407.485	PXJOFDDXZRWCBK-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127112
COc1ccccc1OCc1nc2s/c(=Cc3ccc(cc3)C(C)C)/c(=O)n2n1	EMOLS-id_324867596	407.485	NFBPVQDMRNMLKM-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127113
COc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_324905484	407.485	STPIRNXXIZBLFT-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127114
COc1ccc(CCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)cc1OC	EMOLS-id_324893193	407.485	XXBYRGHYXWBZOH-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127115
COc1ccc(CCc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324890632	407.485	DCZBNVDCINZBLC-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127116
COc1ccc(CCc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324892169	407.485	FGZFWWAHLDKMHD-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127117
COc1cccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)c1OC	EMOLS-id_324909056	407.485	GQLMNIDQDLFVOJ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127118
COc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)c1	EMOLS-id_324873742	407.485	LDOSQQWKEQJFCF-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127119
COc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2ccccn2)c(OC)c1	EMOLS-id_46388645,ZINC22_4545635,TIMTEC77222,CoCoCo_6250381,PC-id_9629611	407.485	BJTVXRPPISTUDH-ZMOGYAJESA-N	00000010100000111000000010000000000000000000000000000000	25-01-127120
COc1ccc(OCCCc2nc3s/c(=Cc4ccccc4C)/c(=O)n3n2)cc1	EMOLS-id_324893696	407.485	ZTLIUSPZIYMXIX-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127121
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(C)cc4)/c(=O)n3n2)cc1	EMOLS-id_324887055	407.485	HYNHIDPFVATGMY-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127122
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324892672	407.485	ZZFJDALQKKJSBV-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127123
COc1ccc(OC)c(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324909568	407.485	WXYYYHVOQLOOIH-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127124
COc1cc(OC)ccc1NC(=O)c1c(/N=Cc2ccccn2)sc2c1CCC2	CoCoCo_6250382	407.485	BJTVXRPPISTUDH-CFRMEGHHSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127125
n12c(=O)c(=Cc3ccc(c(OC)c3)OCc3ccccc3)sc1nc(C(C)C)n2	MCULE-5063599073	407.485	PXJOFDDXZRWCBK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127126
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-5351848514	407.485	XXBYRGHYXWBZOH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127127
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)CCCOc1ccc(OC)cc1	MCULE-4267746871	407.485	HYNHIDPFVATGMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127128
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCCOc1ccc(OC)cc1	MCULE-6876107359	407.485	ZTLIUSPZIYMXIX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127129
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4614169016	407.485	YZJWNTNBDXIHSS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127130
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)COc1ccc(cc1)OCC	MCULE-3105089579	407.485	WWUVUGDWJZJRHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127131
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)COc1cccc(OC)c1	MCULE-5384871382	407.485	LDOSQQWKEQJFCF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127132
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)CCCOc1ccccc1	MCULE-5321810687	407.485	LBGSMGIAQCDJNE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127133
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)COc1ccc(cc1)CC	MCULE-2403942177	407.485	JMQCKCFHTGGALX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127134
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)COc1cc(C)ccc1C	MCULE-8974357232	407.485	CMLDKDYLKUSKAN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127135
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)COc1cccc(CC)c1	MCULE-6131135405	407.485	XKVASJVXEDEUJU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127136
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CCc1ccc(cc1)C	MCULE-3252579729	407.485	WXYYYHVOQLOOIH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127137
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-4046566667	407.485	DCZBNVDCINZBLC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127138
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-4946052231	407.485	FGZFWWAHLDKMHD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127139
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-8026917802	407.485	ZZFJDALQKKJSBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127140
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)COc1ccccc1OC	MCULE-8224495035	407.485	NFBPVQDMRNMLKM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127141
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)CCC	MCULE-6070440432	407.485	YNEQTJHPRNQSPI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127142
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCc1ccc(cc1)C	MCULE-8618633326	407.485	GQLMNIDQDLFVOJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127143
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)Cc1ccccc1	MCULE-8471938662	407.485	WWRJTHINFQFFFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127144
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCCOc1ccccc1	MCULE-4886473374	407.485	PSPFVFJBGNSBBR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127145
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1ccc(cc1)CC	MCULE-6188427180	407.485	HEXURNCAYLMBPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127146
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1cc(C)ccc1C	MCULE-2557979086	407.485	RTPGMQZPYVAJOL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127147
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1cccc(C)c1C	MCULE-3290993350	407.485	RABATAGTFXMJLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127148
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1c(C)cccc1C	MCULE-4534528031	407.485	PEZFDADGBMZWQN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127149
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1cccc(CC)c1	MCULE-9419214397	407.485	SIXNRBRZRLYMPX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127150
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCc1ccc(cc1)C	MCULE-5933122330	407.485	KZAHWGKFHMRBDJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127151
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)Cc1ccccc1	MCULE-8003044088	407.485	AFULWAZUYNRQTD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127152
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCOc1ccccc1	MCULE-5436080192	407.485	WVDUGHMDGKJLKY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127153
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCOc1ccccc1	MCULE-5992823895	407.485	QBFOHZFXYLXKLT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127154
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1ccc(cc1)C	MCULE-5130653747	407.485	YDYQVDCOZYUVQO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127155
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1ccc(cc1)C	MCULE-7097471933	407.485	PCTZODAHVKQABT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127156
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)COc1cccc(C)c1C	MCULE-2284646537	407.485	MLYDFILDKXFNCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127157
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)COc1c(C)cccc1C	MCULE-3417549905	407.485	ADNJTCRKVXUWOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127158
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)CCc1ccccc1	MCULE-4297549047	407.485	HKTBZNPIHNWYIN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127159
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CCc1ccc(cc1)C	MCULE-2214231731	407.485	STPIRNXXIZBLFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127160
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)CCc1ccccc1	MCULE-7713213775	407.485	WCPSIVSYIYJBQQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127161
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CCc1ccc(cc1)C	MCULE-6026141769	407.485	PWZZZYYNHXUPHO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127162
s1c2CCCc2cc1C(=O)NNC(=O)COc1ccc(Nc2ccccc2)cc1	PC-id_8123263	407.485	KQWFTKCQNCXALY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127163
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(OC)cc1	PC-id_16947571	407.485	MBZPWEGITNCNRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127164
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(OC)ccc1	PC-id_16947570	407.485	ODZABPDLYZRBGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127165
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(OC)cccc1	PC-id_16947569	407.485	MYCAHAYGWZBXEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127166
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(c(OC)cc1)C	PC-id_16947149	407.485	JXJMSUWUUPNFLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127167
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(OCC)cc1	PC-id_16947095	407.485	NLYFNJQWTBCSBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127168
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(OC)ccc(c1)C	PC-id_16947127	407.485	QSEJLZOYSWPLBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127169
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(OC)cc(cc1)C	PC-id_16947148	407.485	GUFWMAXAQPBDRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127170
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(OCC)cccc1	PC-id_16947094	407.485	VSKGVPRMOSGDJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127171
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCc1ccc(OC)cc1	PC-id_16947056	407.485	ZUPXVXZXAVQDOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127172
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCc1cc(OC)ccc1	PC-id_16947142	407.485	ZPGBQWIEDHAKHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127173
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCc1c(OC)cccc1	PC-id_16947057	407.485	SSIPLUISRIZVAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127174
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(cccc1)C	PC-id_16947871	407.485	QUXJRFLFXQDNGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127175
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(ccc1)C	PC-id_16947872	407.485	YYVPCCDFUDKKDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127176
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(cc1)C	PC-id_16947873	407.485	HQGUAEJUGKQJBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127177
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccccc1	PC-id_16947848	407.485	LCIDHBYJLJAYMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127178
S1c2c(SC1P(=O)(OCC)OCC)c(n(c2C)C(=O)OC(C)(C)C)C	PC-id_10669121	407.485	HZEJJVQJCZAPHU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127179
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(s1)c1ccno1	PC-id_89237103,SCHEMBL14055669	407.487	MBAFCYBLXQGXPJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-127180
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(s1)c1cnco1	PC-id_89238383,SCHEMBL14057118	407.487	YBWYFAFSDQMTIV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-127181
COc1ccc(cc1)S(=O)(=O)NC(C(=O)NCc1nnc2n1CCC2)C(C)C	MCULE-8076416772,EMOLS-id_25001523,PC-id_42896405	407.487	XMORWPRVSFOMIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127182
COc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1	PC-id_40124217,CoCoCo_4560402,ZINC22_32889081	407.487	XMORWPRVSFOMIA-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127183
COc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1	ZINC22_32889080,PC-id_40124216,CoCoCo_4560403	407.487	XMORWPRVSFOMIA-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127184
O=C(c1n[nH]c(c1)c1cccs1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109287	407.489	PBLPTRISQZBNCI-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-127185
[C-]#[N+]c1c(NCCOc2cccnc2C)nc(cc1C)Nc1n[nH]c2c1CSC2	PC-id_57972650,SCHEMBL12721001	407.492	BPYPRXYODYCEBP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127186
N#Cc1c(NCCOc2cccnc2C)nc(cc1C)Nc1n[nH]c2c1CSC2	PC-id_67098143,SCHEMBL1622786	407.492	FNICRMBYRGYTQG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127187
CC(C)(C)C[C@@H](C(=O)N=C1C=Cc2cn(cc12)S(=O)(=O)C1CC[C@@H](C=C1)F)N	PC-id_136358539	407.502	APBZGZQRCDQSGT-BZEOVNSFSA-N	00000011100011000000000010000000000000000000000000000000	25-01-127188
COc1ccc(cc1F)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110060	407.502	UUVPAAPQDWHYMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127189
COc1ccc(cc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)F	PC-id_92110025	407.502	NOUVKRAPHXBYSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127190
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_5137890,EMOLS-id_22735406,PC-id_7543764,MCULE-7134809447	407.504	SBOMOVOTYMHFSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127191
CCOC(=O)c1c(NC(=O)Cc2ccccc2S(=O)(=O)C)sc2CCCc12	MCULE-5746422582,EMOLS-id_328110566	407.504	RYUNWIZVJPXIOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127192
CCOC(=O)c1c(NC(=O)Cc2ccc(cc2)S(=O)(=O)C)sc2CCCc12	PC-id_41139583,MCULE-2546499988,EMOLS-id_328198090	407.504	QFRHCTIBZCSCIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127193
CSc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2CC1CC1)c1cccc(c1)F	PC-id_144952221	407.504	GYFOJJKEEQSKKZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-127194
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)C)C	PC-id_3334039	407.504	SXRJOTJBLTVIHB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127195
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(CC)cc1C(=O)OCC	PC-id_7238808	407.504	QLDPPGPITKHOLH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127196
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)OCC	PC-id_7579433	407.504	BZJSOHTXRCIMBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127197
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)OC	PC-id_41148615	407.504	WQIQXBGCJDIYGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127198
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C(=O)OCC	PC-id_7579044	407.504	WHXGGSMIGADUJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127199
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C(=O)OC	PC-id_41147928	407.504	AQNNYNVZBWSGIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127200
s1c2c(CCC2)c(c1NC(=O)c1c(S(=O)(=O)CC)cccc1)C(=O)OCC	PC-id_7578649	407.504	GOIMHJKKPFAUDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127201
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(=O)OC	PC-id_41145857	407.504	FSPSPPFVBWGYEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127202
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)C(=O)OC	PC-id_41273121	407.504	MAOKFAIABOJDQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127203
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(cc1)C)C(=O)OC	PC-id_7544113	407.504	JDQTXULMXWJODX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127204
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)c1ccccc1)C(=O)OCC	PC-id_7202570	407.504	RFCMBAQUQDGFQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127205
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C(=O)OC	PC-id_41582921	407.504	OLWJAZJTQUVDTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127206
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(sc(c1)C)C)C(=O)OCC	PC-id_7648386	407.504	IQDZQQBKSDZNKO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127207
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1ccsc1)C(=O)OCC	PC-id_8611343	407.504	BXRIPIWXHUUVBB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127208
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1sccc1)C(=O)OCC	PC-id_8529408	407.504	CTLFGKFYNBUYQB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127209
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C(=O)OCC	PC-id_41581952	407.504	PKOKXROCFJHNDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127210
S(=O)(=O)(N1CCOCC1)c1cc(COC(=O)c2sc3CCCc3c2)ccc1	PC-id_7623847	407.504	YSLLPZOLDZHSKU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127211
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CC=Cc2ccccc2)(C(=O)OCC)C1	MCULE-7602911313,PC-id_91940246	407.505	KDRFPIFNUWHHPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127212
C1Cc2c(n(c(=O)n2C1)CCCCNCCOc1ccccc1c1ccccc1)O	PC-id_91139846	407.505	HAQWGZBUTSEGMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127213
CC(c1ccc(cc1)OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109395	407.505	ACMHIFRYVZYFJS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-127214
CC(C)c1cc(cc(c1NC(=O)N=S(=O)(c1cnc2n1CCC2)N)C(C)C)F	SCHEMBL20692136,PC-id_137453162	407.505	BDLNOVJLMHSFIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127215
CCCCOc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109348	407.505	KDWXOGBNWQHCNV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-127216
CCOC(=O)C1(C/C=C/c2ccccc2)CCCN(C1)C(=O)c1n[nH]c2CCCc12	EMOLS-id_44861004,PC-id_70730933	407.505	KDRFPIFNUWHHPG-YRNVUSSQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127217
CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_76954678	407.505	KDRFPIFNUWHHPG-QQRRWSATSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127218
CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_76954679	407.505	KDRFPIFNUWHHPG-IWXKUNQBSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127219
s1c2c(CCC2)c(c1NC(=O)C[n+]1cc(c2ccccc2)ccc1)C(=O)OCC	PC-id_8876158	407.505	ICMFMINXAPMTBA-UHFFFAOYSA-O	00000010100000111000100010000000000000000000000000000000	25-01-127220
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)sc2c(CCC2)c1C(=O)NC	CoCoCo_5058634,ZINC22_5055689,PC-id_7474989,EMOLS-id_22708540,MCULE-7659158748	407.507	WCSDCCOTGKFRNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127221
Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1CCOCC1	PC-id_17556188,EMOLS-id_12011968,ZINC22_8848097,CoCoCo_4164083,MCULE-4097710145	407.507	XAYRQPDYZYRYGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127222
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_16379433,MCULE-8807476293,EMOLS-id_11839944,CoCoCo_4164075,ZINC22_9460435	407.507	YSSRZZDKWIYWJX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127223
CCCc1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCC2)C(=O)OC	PC-id_135849278	407.507	QEGHALBSZZVVIH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127224
CCCCN(C)C(=O)Oc1ccccc1C(=O)Nc1nc2c(s1)CS(=O)C2	PC-id_90273639,SCHEMBL15865725	407.507	BGWACCKZFPESNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127225
COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nc2CCCc2s1	PC-id_16827634,MCULE-1012530602,EMOLS-id_30137521	407.507	AGBRJGQJPQGBQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127226
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1CCCC1	ZINC22_9885229,CoCoCo_4164141,MCULE-4016253589,EMOLS-id_3647324,PC-id_16370669	407.507	HDRWGTYDOOWPNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127227
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CCC3)cc1	PC-id_40878203,ZINC22_8927618	407.507	AGBRJGQJPQGBQG-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127228
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_8927620,PC-id_40878204	407.507	AGBRJGQJPQGBQG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127229
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)c1ccc(cc1)N	EMOLS-id_328217204,MCULE-8724366568	407.507	AJCMRQHNWDDPLS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127230
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)Cc1ccncc1	MCULE-6353174056,EMOLS-id_328222323	407.507	QDTJUWHCQUOOAY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127231
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)Nc1ccccc1	MCULE-1188387747,EMOLS-id_328216952	407.507	LBRYKMPRWFSDSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127232
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1	PC-id_26872627	407.507	ZLFLFABVLFRMEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127233
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)c(oc2[Si](C)(C)C)[Si](C)(C)C	PC-id_122203604	407.674	KJRNXVLRPLYEQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127313
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NC)c(c(c1)C)C	PC-id_27684593	407.507	WOEHJMPQJKDRIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127234
s1c2CCCc2cc1C(=O)NNC(=O)CN(S(=O)(=O)C)c1c(cccc1)C	PC-id_27684569	407.507	DOGXJIPXCUEUBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127235
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)C1OCCC1)C(=O)N	PC-id_84951890	407.507	FCZBSORTLDXLSA-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-127236
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)[C@H]1OCCC1)C(=O)N	PC-id_9209058	407.507	FCZBSORTLDXLSA-ZDUSSCGKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-127237
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)[C@@H]1OCCC1)C(=O)N	PC-id_9209064	407.507	FCZBSORTLDXLSA-CYBMUJFWSA-O	00000010100010000001000010000000000000000000000000000000	25-01-127238
s1c2c(CCC2)c(c1NC(=O)CN(S(=O)(=O)C)c1c(cccc1)C)C(=O)N	PC-id_8096802	407.507	KFXUNXZZMRAWLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127239
S(=O)(=O)(NCC1OCCC1)c1cc(C(=O)Nc2sc3CCCc3n2)ccc1	PC-id_43021943	407.507	WFVXPIKQEZGRJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127240
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)C=Cc1ccc(cc1)OC	MCULE-4535727135	407.509	CZLICGNDZYTGHP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127241
s1c2CCCc2nc1NC(=S)NC(=O)c1ccc(cc1)C(=O)c1ccccc1	MCULE-5175478799,PC-id_4349963,EMOLS-id_5431828,CoCoCo_4976786	407.509	UDFUJIQVVMIEAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127242
c1(NC(=O)CSc2ccncc2)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138964,CoCoCo_5277575,PC-id_30862284,MCULE-7097262077,EMOLS-id_24913281	407.51	RDEFMNIPHKKICU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127243
O=C1c2sccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1	PC-id_49875008,SCHEMBL10413914	407.51	YWQWZVAZYJCREQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-127244
S1(=O)(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)c2c1csc2	PC-id_44265115,CHEMBL1194403	407.51	DXJRYEYMDJYBNU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-127245
Cc1nc2scc(C)n2c1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324839160	407.512	MVRQJGFRAIGUIM-YBEGLDIGSA-N	00000000100000110001000110000000000000000000000000000000	25-01-127246
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCc1ccccc1	MCULE-2430828291	407.512	MVRQJGFRAIGUIM-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-127247
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)OCC	PC-id_41086962	407.522	ASGNHONWKKTNGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127248
CC(C)(C)OC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)OC	PC-id_135200423,SCHEMBL20354010	407.524	ZGRVJVHQOISCMD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127249
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC1CCCCC1)C(=O)OCC	PC-id_4695039	407.524	ZOQQBAPPNUJUEP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127250
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1cc(c(cc1)C)C)C	PC-id_3946849	407.525	DBZRBXCDSFOFGV-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-127251
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1cc(cc(c1)C)C)C	PC-id_7224651	407.525	RBINPUYIHPBCKV-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-127252
c1(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-7422205364,EMOLS-id_334330332	407.527	OJEDNUJPCZONBW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127253
c1(NC(=O)C2CC(=O)N(C(C)C)C2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385688,MCULE-5157765232	407.527	NEDONPPKZYKLKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127254
c1(c2CCCc2[nH]n1)C(=O)N(Cc1cccc(OCCc2ccsc2)c1)C1CC1	CoCoCo_1535778,PC-id_42479524,ZINC22_12242388,CoCoCo_1535777,EMOLS-id_20677429,MCULE-4164208422	407.528	OROWGBWJWDMLMC-UHFFFAOYSA-N	00100010100100110001000010000000000000000000000000000000	25-01-127255
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)CCCC)C2)sc2c(CCC2)c1C#N	MCULE-4597200474,EMOLS-id_322627648	407.528	SXJQJJXQZVOVNB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127256
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c(CCC2)c1C#N	EMOLS-id_322629440,MCULE-1074870589	407.528	SHLHZHJBXBMSDS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127257
c1(NC(=O)C(c2ccccc2)c2ccccc2)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-9332383756,PC-id_2160502,EMOLS-id_5443091	407.528	RXHRKSFSUJZJTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127258
CC(C)(C)n1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)C[S@](=O)C2	CoCoCo_4985665,ZINC22_4106292,PC-id_11863946	407.528	RXHRKSFSUJZJTB-LJAQVGFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127259
CC(C)(C)n1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)C[S@@](=O)C2	CoCoCo_4985666,ZINC22_2725135,PC-id_11877794	407.528	RXHRKSFSUJZJTB-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127260
S(c1ccc(Oc2ccc(CNC(=O)c3n(nc4C(CCc34)C)C)cc2)cc1)C	PC-id_15008458	407.528	XDVVPVZRIWMDBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127261
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)c1ccccc1)C#N	PC-id_33215148	407.529	NSYBTAXECLXBHU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-127262
c1(NC(=O)CSc2scc(CC(=O)OCC)n2)sc2c(CCC2)c1C#N	MCULE-2810624672,EMOLS-id_324919876	407.53	LEPSFLGGUZZMAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127263
N#Cc1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCC2	ZINC22_5298761,CoCoCo_5174886,PC-id_7614802	407.53	MECDLRWSCIHDSN-CYBMUJFWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127264
N#Cc1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCC2	ZINC22_5298764,CoCoCo_5174887,PC-id_7614801	407.53	MECDLRWSCIHDSN-ZDUSSCGKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127265
O=C(Nc1sc2CCCc2c1C#N)C1CCCN1S(=O)(=O)c1cccs1	PC-id_16800098,MCULE-8965069025,EMOLS-id_5605727	407.53	MECDLRWSCIHDSN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127266
s1c2CCCc2c(c1NC(=O)COC(=O)CSCc1nc(sc1)C)C#N	PC-id_9475414	407.53	CSGMBJJUYWJKRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127267
CCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2C(=O)OCCCCCC	PC-id_20253925,SCHEMBL10816571	407.545	QDHWSKPKESCFKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127268
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2C(=O)OCCCCC	PC-id_20253960,SCHEMBL10817975	407.545	WTDIOKSGJBCVTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127269
CCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	PC-id_20253895,SCHEMBL10817605	407.545	PRHZHBHEJYGTAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127270
CCCCCCCCCOC(=O)C1=CCn2c1cc(c2C(=O)c1ccccc1)CC	PC-id_70619564,SCHEMBL11604819	407.545	HVFRERLPLXHXEV-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-127271
CCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)CC	PC-id_20253903,SCHEMBL10813820	407.545	YVCGZIVYJKKHPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127272
O=C(C1(CCOCC1)c1ccccc1)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109868	407.548	VZSRLMHANACYON-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127273
c1(NC(=O)CS(=O)CC(=O)N(C)C2CCCCC2)sc2c(CCC2)c1C#N	MCULE-3449741733,EMOLS-id_320679529	407.55	ZVVZYCYSHMFZGS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127274
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCC2	CoCoCo_4008402,PC-id_8131377,ZINC22_6984251	407.55	AMLMCXQWNKQGNJ-HNNXBMFYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-127275
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCC2	ZINC22_6984250,PC-id_8131376,CoCoCo_4008403	407.55	AMLMCXQWNKQGNJ-OAHLLOKOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-127276
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C	SCHEMBL19771988,PC-id_134170819	407.55	GQJYDOUBLRVQAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127277
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)[C@](NC2)(C)C(C)C	SCHEMBL16224733,PC-id_117688909	407.55	VUUWITGRZWSPHW-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-127278
O=C(c1sc2c(c1)CCC2)N(Cc1c(C)nn(c1C)C1CCS(=O)(=O)C1)C	MCULE-2405415638,PC-id_17411404,EMOLS-id_11936795	407.55	AMLMCXQWNKQGNJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-127279
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[N@@H+]1CC[C@H](CC1)C(=O)N(C(C)C)C	GD-id_ZINC30271561	407.55	INMUDFFGIVJLAN-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-127280
s1c2c(CCC2)c(c1NC(=O)CN(Cc1nc(sc1)CC)C)C(=O)OCC	PC-id_48108856	407.55	NAOVLYQLZNGSFO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127281
Brc1c(NC2CCc3sc(Cl)cc23)cc(Br)cc1	PC-id_81251844	407.551	QUAAMGNCABVPHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127282
Brc1c(NC2CCc3sc(Cl)cc23)ccc(Br)c1	PC-id_81251839	407.551	IJBQPIZAXMHLDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127283
Clc1sc2c(c1)C(CC2)Nc1c(Br)cccc1Br	PC-id_107597187	407.551	BLQBQISLVHJLBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127284
c1(c2CCCc2sc1NC(=S)Nc1ccccc1)C(=O)Nc1ccc(cc1)C	ZINC22_5092081,EMOLS-id_2135792,PC-id_1335024,CoCoCo_759313,ChemDIV8009-9288,MCULE-1900366923	407.552	VQNPONDXXYGETR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127285
c1(C(=O)N(CC2CCN(CC2)C2CCCC2)Cc2cccnc2)c2CCCc2[nH]n1	CoCoCo_1471368,CoCoCo_1471370,CoCoCo_1471371,EMOLS-id_20635253,MCULE-6102890871,CoCoCo_1471369,PC-id_42515144,ZINC22_12303034	407.552	BZZRKZDXFYRFIT-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-127286
Cc1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1	CoCoCo_3984405,ZINC22_57270842,PC-id_9051981	407.552	CTQWWYLNUODXIT-NRFANRHFSA-N	00000010100100110000000010000000000000000000000000000000	25-01-127287
Cc1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1	PC-id_9051984,ZINC22_57270843,CoCoCo_3984406	407.552	CTQWWYLNUODXIT-OAQYLSRUSA-N	00000010100100110000000010000000000000000000000000000000	25-01-127288
N#Cc1c(NC(=O)CNC(c2cccs2)c2ccc(cc2)C)sc2c1CCC2	EMOLS-id_11788029,PC-id_16344364,MCULE-2302168640	407.552	CTQWWYLNUODXIT-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-127289
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccsc1)c1ccccc1)C#N	PC-id_60253550	407.552	WLPCNZMPCWPMSF-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-127290
c1(N2CCC(CC2)(OC)C(=O)NCCc2sc3c(CCC3)n2)nnc(C)s1	ZINC22_1857700939,EMOLS-id_324149545,MCULE-2242791910,PC-id_154569236	407.553	CYPHIWHCBNHGSJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-127291
CCCCC(NC(=NCc1nnc2n1CCC2)NCC)CNC(=O)OC(C)(C)C	PC-id_109734761	407.553	XCUNFKNTZLQNHH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127292
CCNC(=NCc1nnc2n1CCC2)NCC(NC(=O)OC(C)(C)C)(CC)CC	PC-id_111771862	407.553	MWIOCBAJIQUMFH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127293
CN=C(N(CCC(C(C)C)NC(=O)OC(C)(C)C)C)NCc1nnc2n1CCC2	PC-id_109412581	407.553	XRDWJEARJGIFJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127294
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(CCCCC)cnn1)C)C(=O)N	PC-id_8957964	407.553	KYRXLTAASQTFPF-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-127295
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(CCCCC)cnn1)C)C(=O)N	PC-id_8957965	407.553	KYRXLTAASQTFPF-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127296
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(CCCCC)cnn1)C)C(=O)N	PC-id_84883598	407.553	KYRXLTAASQTFPF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127297
s1c2c(CCC2)c(c1NC(=O)CN1CCN(C(C)(C)C)CCC1)C(=O)OCC	PC-id_56198622	407.57	PNPDYDPWOZHMKC-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-127298
CC(CNC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)O	PC-id_140817064	407.583	YDIBFSFIDVJQTL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-127299
OC[C@@H](NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140301082	407.583	WXZUZRJWAOXJKD-LBPRGKRZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-127300
OCC(NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140817036	407.583	WXZUZRJWAOXJKD-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-127301
CCCCC1=Nn2c(nc(n2)C(C)C)C1=NNC(=NC(=CC)C(C)S)SC	PC-id_89288899	407.6	ZPEILOIEACOARO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-127302
s1c2c(CCC2)c(c1NC(=O)CCCCCCCCCCCCC)C(=O)OC	PC-id_54789566	407.61	IKHKCEMCMVNXSC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127303
CC1CCc2c1c(CBr)nn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-5654036427,EMOLS-id_331031812	407.656	PTOYOUJINIXLBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127304
CC1CCc2c1c(CBr)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	EMOLS-id_331034372,MCULE-2113282385	407.656	VJLUHSNOZXYOQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127305
CC1CCc2c1c(CCl)nn2Cc1ccc(c(Br)c1)C(F)(F)F	EMOLS-id_331025422,MCULE-8192432829	407.656	AJLXZFVYSOOKBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127306
CC1CCc2c1c(CCl)nn2Cc1ccc(cc1Br)C(F)(F)F	MCULE-1448526324,EMOLS-id_331022862	407.656	PKLMYSWVOLZILN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127307
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(CCl)c12	EMOLS-id_331009464,MCULE-8574035919	407.656	WWAXWLCOVGEPLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127308
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(CCl)c12	MCULE-5551120082,EMOLS-id_331006904	407.656	GVDRLLGVCUYHFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127309
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(CBr)c12	EMOLS-id_331010750,MCULE-7439141284	407.656	WZRHIPSLZUBPJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127310
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(CBr)c12	MCULE-1675900595,EMOLS-id_331013310	407.656	UBIWBPYIQUZEGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127311
CC1(C)Nc2[n+](C1)c(cs2)CS/C(=NC1CCCCC1)/NC1CCCCC1	PC-id_46926547,SCHEMBL18642549	407.659	OOSUDWRRWZVFEB-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-127312
Brc1cc(S(=O)(=O)NCc2sc3c(CCC3)c2)c(Cl)nc1	PC-id_61299686	407.734	DTWRBOZWXLLNMK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127314
Brc1c(NC2CCc3sc(Cl)cc23)ccc(S(=O)(=O)N)c1	PC-id_81234000	407.734	SUZVNUJSQNEWGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127315
Clc1ccc(cc1)OCc1nn(c(=O)o1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5544920,PC-id_69481884	407.765	JPFCKZGXONAPDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127316
COCCNC(c1sc2c(n1)CCC2)c1sc(c(c1)Br)Cl	PC-id_102843095	407.777	IWRINEIVLQOECE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-127317
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)COCC(=O)[O-])cc1	PC-id_27524536	407.848	HSJJDOPTYYDWGE-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-127318
c1(C(=O)OC)c2C(CCc2sc1NC(=O)Cc1ccc(cc1)Cl)C(=O)OC	MCULE-7260539655,PC-id_19171561	407.868	QOUUGEROKALSGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127319
Clc1ccc(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_35686598	407.868	JLWVJUOLQFGTPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127320
Clc1c(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_24381153	407.868	FCRARVKGRXVATI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127321
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_7859974	407.868	GOSJWIIOCZRUGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127322
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_7775554	407.868	BBGUPCLLGWSNHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127323
Clc1cc(N)c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_78686140	407.871	ZYUZSIFKCXTXBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127324
Clc1cc(N)c(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_8399821	407.871	ZYUZSIFKCXTXBI-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127325
Clc1cc(N)c(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_8399822	407.871	ZYUZSIFKCXTXBI-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127326
Clc1c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc(N)cc1	PC-id_75979981	407.871	IQSWMKHNCARFFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127327
Clc1c(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc(N)cc1	PC-id_52885878	407.871	IQSWMKHNCARFFN-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127328
Clc1c(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc(N)cc1	PC-id_52885879	407.871	IQSWMKHNCARFFN-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127329
Clc1c(N)cc(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_74656513	407.871	RIJHRCLGEMGZFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127330
Clc1c(N)cc(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_37291325	407.871	RIJHRCLGEMGZFD-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127331
Clc1c(N)cc(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_37291326	407.871	RIJHRCLGEMGZFD-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127332
Clc1c(N)c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1	PC-id_24531340	407.871	XAIADTVFUNMPPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127333
Clc1nc(cc(c1C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C	PC-id_8510783	407.871	AMRSQWUHMZJTBD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127334
c1(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_2931448,SPECS-id_AK-968/15252968,EMOLS-id_2441353,MCULE-5421979622,CoCoCo_898337,ZINC22_4614351,TIMTEC248686	407.911	JTFOUTDTXDTRDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127335
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1784125,ZINC22_1773620,STOCK3S-51830,EMOLS-id_1865972,MCULE-8391653315,PC-id_1565110	407.911	QEMPPFQEHLLDLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127336
c1(NC(=O)CCCOc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-5098390950,PC-id_1677631	407.911	GPWUXXRZTYJYQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127337
c1(NC(=O)C(C)Oc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-1265050344,PC-id_4077692	407.911	DWNKWKAJDRLCCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127338
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5124952,TIMTEC435433,PC-id_1012026,SPECS-id_AK-968/15252492,CoCoCo_5823734,ZINC22_672832,MCULE-8153573100	407.911	RTPSOYNJDXLQCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127339
CCC(C)N1C(=CC(=O)c2c(ccc(c2)Cl)OC)SC2=C1C(=O)OC2(C)C	PC-id_91416338	407.911	PJZFBISYVCMQOK-UHFFFAOYSA-N	00000011000000110001000010000000000000000000000000000000	25-01-127340
CCCCN1/C(=C/C(=O)c2cc(Cl)ccc2OC)/SC2=C1C(=O)OC2(C)C	PC-id_24956783,SCHEMBL5132562	407.911	QYVPXSRIJUZGLZ-WJDWOHSUSA-N	00000011000000110001000010000000000000000000000000000000	25-01-127341
C(C)(C)(Oc1ccc(cc1)Cl)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-9074371082,PC-id_30309459,EMOLS-id_327804840	407.911	SWVLHRCMBNYLAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127342
CCOC(=O)c1c(NC(=O)CCCOc2ccccc2Cl)sc2CCCc12	EMOLS-id_327860176,MCULE-6961088518	407.911	ZMXZCMYDVCDIOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127343
Clc1c(CC)cc(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_7917234	407.911	XNMRTIYDOGGBHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127344
Clc1cc(C(=O)C=C2SC3=C(C(=O)OC3(C)C)N2CCCC)c(OC)cc1	PC-id_69324489	407.911	QYVPXSRIJUZGLZ-UHFFFAOYSA-N	00000011000000110001000010000000000000000000000000000000	25-01-127345
Clc1cc(c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc1)C	PC-id_4337916	407.911	KWWWZFMBVAEVBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127346
COc1ccc(cc1Cl)C(=O)c1c(NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_331271023	407.911	DJESJUMNUVIILT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127347
Clc1cc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(OC)cc1	PC-id_9136605	407.914	HWWUBJCLKRECAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127348
Clc1ccc(OCCN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_9252533	407.914	HNJOGCLWLIDUFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127349
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-6373947885	407.916	UXIPVHZVFDMROA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127350
Clc1ccc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc1	PC-id_2698831	407.934	BQLJGBSTEVDQAE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-127351
Clc1c(cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C)C=C(P(=C)(C)C)C	PC-id_59932948	407.94	DXTGVHOOVRIDAB-GVEHMOQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127352
Clc1cccc(c1C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110035	407.957	AZBYQPGPNODSDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127353
Clc1ccc(c(c1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92110033	407.957	NOLBCXPPFQLAMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127354
Clc1ccc(SCC(=O)NC(=S)Nc2sc3CCCc3c2C#N)cc1	PC-id_23880234	407.961	IVXXGXUBEUPXGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127355
C1CC2=CSC(=C2C1)C(=O)C=C(C3=CC(=C(C(=C3)Cl)F)Cl)C(F)(F)F	PC-id_152511249	407.977	YFNYTLDLTHGCAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127356
Brc1sc(Br)c2c1C(OC(=O)C(F)(F)F)CC2=O	SCHEMBL76396,PC-id_59787527	407.987	KSGLHDJXZPAMLK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127357
Brc1sc(Br)c2[C@H](N)C[C@H](NC(=O)C(F)(F)F)c12	PC-id_11812315	408.033	LECVKJNYLWCGES-GBXIJSLDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127358
Brc1sc(Br)c2C(N)CC(NC(=O)C(F)(F)F)c12	PC-id_73113105	408.033	LECVKJNYLWCGES-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127359
O=C(C(F)(F)F)N[C@@H]1C[C@@H](c2c1c(Br)sc2Br)N	PC-id_102378756	408.033	LECVKJNYLWCGES-STHAYSLISA-N	00000010100000000000000010000000000000000000000000000000	25-01-127360
C1C2=CN(N=C2CN1C(=O)CC3=C(C=CC=N3)F)SC4=CN(N=C4)CC(F)F	PC-id_164872256	408.098	WCEYRRYHZXJZOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127361
C1C2=CN(N=C2CN1C(=O)CC3=C(C=CC=N3)F)SC4=NN(C=C4)CC(F)F	PC-id_164872330	408.098	MFSXNELIDDDSCI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127362
Clc1cc(Cl)c(c(c1)Br)CNC(=O)[C@@H]1COc2c1scn2	SCHEMBL15903745	408.098	CGEAJBGDXXBCAJ-MRVPVSSYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127363
Clc1cc(Cl)c(c(c1)Br)CNC(=O)[C@H]1COc2c1scn2	SCHEMBL15903773	408.098	CGEAJBGDXXBCAJ-QMMMGPOBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127364
Clc1cc(Cl)c(CNC(=O)C2COc3ncsc23)c(Br)c1	BindingDB-id_412886,SCHEMBL15903749,BindingDB_PC-id_78318480,PC-id_78318480	408.098	CGEAJBGDXXBCAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127365
OC(=O)C1CCc2c1nc(s2)Nc1ccc(c(c1Cl)Cl)Br	PC-id_107794677	408.098	ATYMIFDRCKQPJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127366
OC(=O)C1CCc2c1nc(s2)Nc1c(Cl)cc(cc1Cl)Br	PC-id_104287405	408.098	YRMQFUDAYGMMIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127367
BrC(c1sc2c(CCC2)c1)c1c(F)cc(Br)c(F)c1	PC-id_64213445	408.099	JMOPAJHVTWEPQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127368
Brc1cc(sc1Br)C(=O)Nc1sc2CCCc2n1	EMOLS-id_314648141,PC-id_26723267	408.132	VDIZURMWVDWJRH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-127369
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3Cl)C(=NOC4CCOCC4)N)F	PC-id_154011383	408.16	ZSWFQKVAFNHYAU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127370
Brc1ccc(c2oc(=O)n(n2)CC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	PC-id_23081285,SCHEMBL5540423	408.164	OEOZEQNMVUCKIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127371
CNC(c1sc(c(c1)Br)Br)c1sc2c(n1)CCC2	PC-id_102842887	408.175	FFHLXLLSZWXZCF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-127372
C1CCC(CC1)N2C(=CC=N2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	PC-id_155268488,CHEMBL4533419	408.191	IPUYLKLURHVVGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127373
CC1=C(C(=CC=C1)C2CCC(CC2)CCC(=O)CN3C4=C(CCC4)C(=N3)C(=O)O)C	PC-id_153575565	408.241	FQLOQRUXUWGXSS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127374
c12CN(Cc1sc(I)c2C(=O)NC)C(=O)OC(C)(C)C	EMOLS-id_331064102,MCULE-8849852915	408.255	VHHWADHRELPYGU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127375
CCOC1=Cc2c(C1)c(nn2SI)C(=O)OC(C)(C)C	PC-id_143047094	408.255	NJNHYCXXOPFTTO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-127376
Brc1cc(N2CC(CC2=O)C(=O)Nc2onc3c2CSC3)ccc1	PC-id_49719013	408.27	VGXTZEHQWZOACO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127377
n12nc(nc1sc(=Cc1cc(Br)ccc1OC(=O)C)c2=O)CCC	MCULE-9495263892	408.27	DXDXHILDPUQXCW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127378
C1CC1C(=O)Nc1nc2c(s1)C(NN2)NC(=O)c1ccccc1Br	SCHEMBL14531122,PC-id_89358876	408.273	QNVHUPOHESOMMA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-127379
CCN(CC)C1=NC(=C(C=C1)N=C2C(=NN3C2=NN=C3C(C)N4CCCCC4)C)C	PC-id_146718770	408.275	REMLWEKVKRBLNI-UHFFFAOYSA-N	00000011100010101001000010000000000000000000000000000000	25-01-127380
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)OCC1CC1	EMOLS-id_330979577,MCULE-4589055292	408.277	POWFIDFIYGEWOP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-127381
CC1CCc2nn(Cc3ccc(OCC4CC4)cc3)c(I)c12	MCULE-8192680625,EMOLS-id_330963637	408.277	VEIQJYPGPKMBQV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-127382
CCC1=C(C2=C(N1CC(C3CCN(CC3)C4=CC=CC(=C4C)C)O)CCC2)C(=O)C	PC-id_153565293	408.278	ZAGRFRCNFKPNDN-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-127383
C1CCN(C1)C(=O)C1CCc2nnc(n12)CNC(=O)c1c(cc(cc1)Cl)Cl	PC-id_134787522	408.282	LIUKSRJWXBPKJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127384
COc1ccc([C@@H](C)NC(=O)c2c(Br)nc3n2CCC3)c(C)c1OC	ZINC22_1556843728	408.29	WAVYAEPUJJCJCE-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127385
COc1ccc([C@H](C)NC(=O)c2c(Br)nc3n2CCC3)c(C)c1OC	ZINC22_1556843729	408.29	WAVYAEPUJJCJCE-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-127386
COc1c(OC)ccc(c1C)C(NC(=O)c1c(Br)nc2n1CCC2)C	EMOLS-id_317015126,MCULE-1741403904	408.29	WAVYAEPUJJCJCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127387
FC(F)(F)Cn1ccc(/C=N/NC(=O)Cn2nc(c3CCCc23)C(F)(F)F)n1	EMOLS-id_54825909	408.302	URQGIRNAFMQJDX-GEVRCRHISA-N	00000010100000000001000010000000000000000000000000000000	25-01-127388
n1c(C=NNC(=O)Cn2nc(C(F)(F)F)c3CCCc23)ccn1CC(F)(F)F	MCULE-4307249623	408.302	URQGIRNAFMQJDX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127389
Brc1ccc([C@@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7291814	408.309	LUWHVJOGDIGQCM-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-127390
Brc1ccc([C@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7291815	408.309	LUWHVJOGDIGQCM-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127391
Brc1ccc(C(NC(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_45637906	408.309	LUWHVJOGDIGQCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127392
Brc1c([C@@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_7623538	408.309	GDZBJLRZIKOACQ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-127393
Brc1c([C@H](NC(=O)COC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_7623540	408.309	GDZBJLRZIKOACQ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127394
Brc1c(C(NC(=O)COC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_78513981	408.309	GDZBJLRZIKOACQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127395
Brc1c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)ccc(c1)C	PC-id_8359255	408.309	HHHAVBRSBKKDKJ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127396
Brc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)ccc(c1)C	PC-id_8359260	408.309	HHHAVBRSBKKDKJ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-127397
Brc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc(c1)C	PC-id_78674854	408.309	HHHAVBRSBKKDKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127398
c1(c2CCCc2sc1NC(=O)c1cccc(Br)c1)C(=O)OC(C)C	EMOLS-id_4087354,ZINC22_695946,PC-id_1028371,CoCoCo_6815518,TIMTEC446741,MCULE-3619920128	408.309	SGAWMSCUAMVDBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127399
c1(NC(=O)c2ccc(Br)cc2)sc2c(CCC2)c1C(=O)OCCC	PC-id_1758489,EMOLS-id_4087348,TIMTEC118303,MCULE-8558028098,CoCoCo_5831357,SPECS-id_AK-968/40730139,ZINC22_2103271	408.309	DDRIKLUXSAQOMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127400
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)Br)sc2c1CCC2	PC-id_110825504	408.309	VBPXJFWWNLGRNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127401
CC1(Cn2c(nc(n2)[N+](=O)[O-])S1(=O)=O)COc1ccc(cc1)OC(F)(F)F	PC-id_137650703	408.31	PFXGUQXZQCMMHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127402
Brc1c(S(=O)(=O)Nc2sc3c(CCC3)c2C(=O)O)scc1	PC-id_61457783	408.311	JOZWGFMVJPDBCF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127403
Brc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C(=O)O)cc1	PC-id_43167001	408.311	WYGARAZDXRFHQV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127404
BrCCCS(=O)(=O)c1nc2c(n1C)CN(C2)C(=O)OC(C)(C)C	SCHEMBL17380756,PC-id_118614481	408.311	LUNVIRPXARNILP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127405
Brc1ccc(cc1)NC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_17405028,MCULE-5262940066,EMOLS-id_11914911	408.313	QMMSROQHJUARRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127406
C[C@H](Nc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4223449,PC-id_40952478,ZINC22_9154083	408.313	QMMSROQHJUARRS-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-127407
C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4223450,ZINC22_9157204,PC-id_40954200	408.313	QMMSROQHJUARRS-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127408
CCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)Cl)Cl	PC-id_20528178,SCHEMBL11268661	408.318	GTVQSOBBLWFIFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127409
FC(F)(F)c1n(ncc1C(=O)NCCc1n2CCCc2nn1)C1N=NC(=O)C=C1	PC-id_75617586	408.338	MVRBLERYIKXVPW-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-127410
FC(F)(F)c1n(ncc1C(=O)NCCc1n2CCCc2nn1)c1n[nH]c(=O)cc1	PC-id_51114968	408.338	CWPRGPIONSPDHK-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-127411
Clc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1Cl	EMOLS-id_324906502	408.345	QBOPJKXYJHHZHI-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127412
Clc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c(Cl)c1	EMOLS-id_324903942	408.345	MUFXCUURWQITIF-YBEGLDIGSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127413
Clc1cccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)c1Cl	EMOLS-id_324905479	408.345	HQFUHNWXPYNPSF-PTNGSMBKSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127414
Clc1cc(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)ccc1Cl	PC-id_24589104	408.345	TZESRUDOEKUTTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127415
Clc1cc(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)cc(Cl)c1	PC-id_55838073	408.345	OCDVWOJPTJFKBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127416
Clc1c(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)cccc1Cl	PC-id_24588988	408.345	QYTAYISPGLSVKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127417
Clc1c(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)ccc(Cl)c1	PC-id_24681110	408.345	JMRWKHVMDRRKEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127418
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCC1CCCCC1	MCULE-2799818789	408.345	HQFUHNWXPYNPSF-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127419
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)CCC1CCCCC1	MCULE-1340285776	408.345	MUFXCUURWQITIF-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127420
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)CCC1CCCCC1	MCULE-6939930138	408.345	QBOPJKXYJHHZHI-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-127421
Brc1csc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109951	408.356	CSIQNXNBSLYWHB-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-127422
CNCc1sc(c(c1)S(=O)(=O)Nc1sc2c(n1)CCC2)Br	PC-id_106053396	408.357	VYNBAYHJLIDYSQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-127423
C1CN(CCC1c1ccccc1C(F)(F)F)C(=O)c1n[nH]c2c1CN(C2)C(=O)O	SCHEMBL20525332,PC-id_135349843	408.374	MURWVCKSZUHHJU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127424
O=c1[nH]c(n2ncc([N+]#[C-])c2N/N=C/C(=Nn3c2nnc3C)C(C)(C)C)nc(=O)[nH]1	PC-id_58090590	408.377	VKQZSJUHFZCURR-AQHIEDMUSA-N	00000011100000100001100010000000000000000000000000000000	25-01-127425
O=c1[nH]c(n2ncc([N+]#[C-])c2N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)nc(=O)[nH]1	PC-id_58113639	408.377	FZUDTGAZADLUOF-AQHIEDMUSA-N	00000011100000100001100010000000000000000000000000000000	25-01-127426
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_2694716	408.383	YOXLDXGPOORMSD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-127427
CCOc1ncc(c(n1)Nc1nn(c2c1CN(C2(C)C)C(=O)O)C(=O)OCC)F	SCHEMBL16624978,PC-id_117999657	408.384	RFSXSEFZVCDIOA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127428
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1cc(ccc1)C(F)(F)F)C#N	PC-id_8013746	408.394	WOVULDPTFUKUSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127429
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])ccc(F)c1)C(=O)OCC	PC-id_4810531	408.401	AEAHXEVDJKDMIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127430
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCN(CC2)c2ccccc2OC)n1	EMOLS-id_1359695,MCULE-3273489528,TIMTEC444303,CoCoCo_224976,CHEMBL1485785,ChEMBL-DNDi_CHEMBL1485785,ZINC22_869819,BAS-01939649,PC-id_1129747	408.417	SDKOLSROYKHQIU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127431
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccccc2CN2CCOCC2)n1	ZINC22_19349195,PC-id_46971337,EMOLS-id_30438771,SYN-20042917,CoCoCo_496342,MCULE-4561230792	408.417	ZXUIRONQFMKSIZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127432
COCN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268952,SCHEMBL20696005	408.417	NBGCNCNJVVOIKH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127433
N#Cc1nc2n(c1CN(C)C)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261683	408.417	LZLCJMPLNAFFKK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127434
CN=C(N1CCOC(C1)c1cccc(c1)C(F)(F)F)NCc1nnc2n1CCC2	PC-id_109556596	408.421	PXDQEAHJUBNPLA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127435
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2ccc(c(F)c2)OC)n1	MCULE-7730785882	408.426	LGKMFLSKYTYIKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127436
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)c2ccc(c(F)c2)OC)n1	EMOLS-id_316333363,MCULE-9893115247	408.426	LGKMFLSKYTYIKL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127437
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)COc3ccc(cc3)F)Cc12	EMOLS-id_316318519,MCULE-1490389832	408.426	CCNHTQQEAGGXQX-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127438
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)COc3ccc(cc3)F)Cc12	MCULE-9092926073	408.426	CCNHTQQEAGGXQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127439
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN1C(=O)CCC1=O)C(=O)OCC	PC-id_7034146	408.426	VLWGBTZRFGHUMS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127440
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1noc(c1)C)C(=O)OCC	PC-id_8375100	408.426	PREIYUDDTUATIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127441
COC(=O)[C@@H](C(=C1C(=O)NC(=S)NC1=O)Nc1sc2c(c1C#N)CCC2)F	GD-id_ZINC09954063	408.427	IREOCVMTLQJOLG-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127442
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)S(=O)(=O)N1CCCC1	PC-id_117993846,SCHEMBL16618216	408.429	LVWXLDIUXWCXAE-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127443
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C)C(=O)N	PC-id_52514876	408.429	KZWSEOQDFWTDGI-IONNQARKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127444
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C)C(=O)N	PC-id_52514878	408.429	KZWSEOQDFWTDGI-VXNVDRBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127445
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C)C(=O)N	PC-id_52514879	408.429	KZWSEOQDFWTDGI-CBAPKCEASA-N	00000010100000000001000010000000000000000000000000000000	25-01-127446
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C)C(=O)N	PC-id_52514880	408.429	KZWSEOQDFWTDGI-APPZFPTMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127447
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCC1NC(=O)NC1=O)C)C(=O)N	PC-id_75861401	408.429	KZWSEOQDFWTDGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127448
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(cc3)OC)n2)sc2c(CCC2)c1C#N	EMOLS-id_322819883,MCULE-1224376807	408.43	YWRKMJQJAAXSET-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127449
c1(NC(=O)c2c(O)cc(=O)n(c3cccc(OC)c3)n2)sc2c(CCC2)c1C#N	EMOLS-id_322820139,MCULE-7063554277	408.43	CVSHNVYAFGWXGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127450
c1(NC(=O)COc2cccnc2NC(=O)c2ccco2)sc2c(CCC2)c1C#N	EMOLS-id_321805178,MCULE-8480137721	408.43	SMVCRSCRTDFOOV-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-127451
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324871685	408.43	AELQTUPWLYCHQA-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127452
Cc1cccc(C)c1OCc1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324872714	408.43	KBLPKPBONFOVKU-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127453
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324872717	408.43	MMXYFFGRUQEOLY-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127454
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324879882	408.43	ZPDJYMDMDXGBEW-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127455
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324880911	408.43	UBFDXRAAOLIOIQ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127456
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324884994	408.43	TXTIKWSQESDKSK-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127457
Cc1cccc(OCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)c1C	EMOLS-id_324874765	408.43	YCFCVEHFQJXNHI-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127458
Cc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)c1C	EMOLS-id_324877831	408.43	QSKABKSXNBPVHD-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127459
Cc1cccc(OCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)c1C	EMOLS-id_324878848	408.43	YMXBUFGYYAXKAJ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127460
CCc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324887046	408.43	DHCZVFZYBVZTKM-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127461
CCc1cccc(OCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324888075	408.43	FTVGMDABQVEDTP-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127462
CCc1cccc(OCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324888078	408.43	FHJVNURRAOGBMS-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127463
CCc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324886028	408.43	PNNZYLKFEBGWCA-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127464
CCc1ccc(OCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324887042	408.43	WCNBHURPSGECAB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127465
CCc1ccc(OCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324887045	408.43	UNCCIXBQYFYHSE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127466
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1	ZINC22_256055748,PC-id_117588462	408.43	RQNAVPIZTZDSDE-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127467
COc1ccccc1n1nc(C(=O)Nc2sc3CCCc3c2C#N)c(O)cc1=O	EMOLS-id_182606985,MCULE-9769357087,PC-id_108798521	408.43	ZEPUQLHFHIOGNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127468
COc1ccccc1NC(=O)COc1ccc(/C=c/2sc3ncnn3c2=O)cc1	PC-id_117588504,ZINC22_256055457	408.43	HRWKWWPAUPFVAM-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127469
COc1ccccc1NC(=O)COc1cccc(/C=c/2sc3ncnn3c2=O)c1	ZINC22_256055931,PC-id_117588439	408.43	ZNEUOOFAPXPJJU-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127470
COc1cccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2)c1	PC-id_117588500,ZINC22_256055429	408.43	GTFQGWDMONMGIW-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127471
COc1ccc(NC(=O)COc2ccccc2/C=c/2sc3ncnn3c2=O)cc1	PC-id_117588391,ZINC22_256055536	408.43	KDBBOQGKXDHCJY-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127472
COc1ccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2)cc1	ZINC22_256055656,PC-id_117588494	408.43	ORZALDXWTZUZAC-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127473
COc1ccc(NC(=O)COc2cccc(/C=c/3sc4ncnn4c3=O)c2)cc1	PC-id_117588438,ZINC22_256055348	408.43	CQWGBNBOZYCVQI-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127474
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCCOc1ccccc1	MCULE-1582566759	408.43	IPVWJLZRFTUNDT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127475
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCCOc1ccccc1	MCULE-3657898616	408.43	KIRAHCNFPBPNLO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127476
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCCOc1ccccc1	MCULE-5326698067	408.43	FHQNFVSWDPYHTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127477
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1ccc(cc1)CC	MCULE-5042938899	408.43	WCNBHURPSGECAB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127478
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1ccc(cc1)CC	MCULE-5616686639	408.43	PNNZYLKFEBGWCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127479
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1ccc(cc1)CC	MCULE-6147927563	408.43	UNCCIXBQYFYHSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127480
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1cc(C)ccc1C	MCULE-1020959878	408.43	UBFDXRAAOLIOIQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127481
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1cc(C)ccc1C	MCULE-2673657494	408.43	ZPDJYMDMDXGBEW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127482
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1cccc(C)c1C	MCULE-3002005637	408.43	YCFCVEHFQJXNHI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127483
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1cc(C)ccc1C	MCULE-3927933022	408.43	TXTIKWSQESDKSK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127484
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1cccc(C)c1C	MCULE-4137856141	408.43	YMXBUFGYYAXKAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127485
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1cccc(C)c1C	MCULE-4514810449	408.43	QSKABKSXNBPVHD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127486
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1c(C)cccc1C	MCULE-5106765944	408.43	AELQTUPWLYCHQA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127487
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1c(C)cccc1C	MCULE-5208516151	408.43	MMXYFFGRUQEOLY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127488
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1c(C)cccc1C	MCULE-7408361780	408.43	KBLPKPBONFOVKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127489
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1cccc(CC)c1	MCULE-1290696770	408.43	FHJVNURRAOGBMS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127490
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1cccc(CC)c1	MCULE-6880135133	408.43	DHCZVFZYBVZTKM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127491
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1cccc(CC)c1	MCULE-7692150899	408.43	FTVGMDABQVEDTP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127492
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)OC)c2=O	MCULE-1069244235	408.43	ORZALDXWTZUZAC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127493
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)OC)c2=O	MCULE-1531826831	408.43	CQWGBNBOZYCVQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127494
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccccc1OC)c2=O	MCULE-3722326835	408.43	HRWKWWPAUPFVAM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127495
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)OC)c2=O	MCULE-4219720257	408.43	KDBBOQGKXDHCJY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127496
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccccc1OC)c2=O	MCULE-6063216306	408.43	ZNEUOOFAPXPJJU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127497
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1cccc(OC)c1)c2=O	MCULE-3469845498	408.43	GTFQGWDMONMGIW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127498
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccccc1)c2=O	MCULE-5676814723	408.43	RQNAVPIZTZDSDE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127499
N#CCC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-3498139833,PC-id_24686427,CoCoCo_2949266,EMOLS-id_18854059	408.43	DFQXWHZYGSFVDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127500
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324853499	408.43	KIRAHCNFPBPNLO-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127501
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324852467	408.43	IPVWJLZRFTUNDT-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127502
[O-][N+](=O)c1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324853496	408.43	FHQNFVSWDPYHTI-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127503
S(=O)(=O)(N1CCOCC1)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590555	408.432	WKEZAAHZNFLHFQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127504
c1(NC(=O)COC(=O)c2cccc(c2)n2c(C)nnn2)sc2c(CCC2)c1C#N	EMOLS-id_320719676,MCULE-6904963838	408.434	ZFRQPEPCXSVGEZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127505
c1(NC(=O)COC(=O)c2ccc(cc2)n2c(C)nnn2)sc2c(CCC2)c1C#N	MCULE-1455482832,EMOLS-id_320603585	408.434	WYUQPPNHKFKLJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127506
c1(NC(=O)COC(=O)c2ccc(c(C)c2)n2cnnn2)sc2c(CCC2)c1C#N	EMOLS-id_320651199,MCULE-4494772233	408.434	MSBOKVYQABGALW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127507
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(SC(F)F)cccc1)C#N	PC-id_8983761	408.442	IUNZSTSXHMWVII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127508
s1c2CCCc2c(c1NC(=O)COC(=O)CSc1c(F)ccc(F)c1)C#N	PC-id_8214447	408.442	YCFYRCNVGHELBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127509
CCCOc1ccc(c(c1)OC(F)F)CNC(=NC)NCc1nnc2n1CCC2	PC-id_112393994	408.446	FEVXUNCCEOFQEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127510
CCNC(=NCc1cccc(c1OC(F)F)OCC)NCc1nnc2n1CCC2	PC-id_109662845	408.446	JQRPJDYIBKPARN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127511
c1(NC(=O)COc2ccc(cc2)F)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862240,EMOLS-id_24913247,MCULE-7392640753,CoCoCo_5277557,ZINC22_23138918	408.447	PUMOVEIUXKHNTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127512
c1(NC(=O)C(=O)NCc2ccc(cc2)F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_5190613,EMOLS-id_5625828,ZINC22_10250651,PC-id_18586557,MCULE-5394680123	408.447	FNJIVXSKDFRZQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127513
S1Cc2c(nn(c2NC(=O)COc2c(F)cccc2)CC(=O)NCCOC)C1	PC-id_44052957	408.447	FFAJEMMLSQQWQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127514
c1(C(=O)NCCc2ccc(c(OC)c2)OC)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316323130,MCULE-5428368806	408.45	VBAKKXAJBICKBD-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127515
c1(C(=O)NCCc2ccc(c(OC)c2)OC)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-1962070778,EMOLS-id_316256249	408.45	FHHYMOBMZCANKC-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127516
c1(C(=O)NCCc2ccc(c(OC)c2)OC)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-1276801876	408.45	FHHYMOBMZCANKC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127517
O(c1c(OC)cc(C(=O)NCc2n3CCCc3nn2)cc1OC)Cc1ccccc1	PC-id_30094700	408.45	YMAVSKFGYMJWMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127518
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)NC(=O)C)C(=O)N	PC-id_46605173	408.452	HBFGMRFYCYPBCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127519
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)CCc1c(C)noc1C	MCULE-9541991775,EMOLS-id_207863282	408.454	NGHLXVVZGDRAFU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127520
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)c2[nH]nc(c3cccc(OC)c3)c2)n1	MCULE-3349936772	408.454	LMTNRBUPTZMSSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127521
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)c2[nH]nc(c3cccc(OC)c3)c2)n1	EMOLS-id_316328249,MCULE-2170966070	408.454	LMTNRBUPTZMSSS-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127522
c1(C(=O)NC(C)C)cc2n(C[C@@H](NC(=O)CCc3onc(c4ccccc4)n3)C2)n1	EMOLS-id_316327739,MCULE-9969990196	408.454	NEKILFMLBYAEBK-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127523
c1(C(=O)NC(C)C)cc2n(CC(NC(=O)CCc3onc(c4ccccc4)n3)C2)n1	MCULE-7537133906	408.454	NEKILFMLBYAEBK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127524
s1c2c(CCC2)c(c1NC(=O)CNC(c1cc(F)c(F)cc1)C)C(=O)OCC	PC-id_84995590	408.462	TXDOTOMVCJCPGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127525
s1c2c(CCC2)c(c1NC(=O)CNC(c1c(F)cc(F)cc1)C)C(=O)OCC	PC-id_84994147	408.462	YKIVOYZXLAZMIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127526
s1c2c(CCC2)c(c1NC(=O)CN[C@H](c1cc(F)c(F)cc1)C)C(=O)OCC	PC-id_9376942	408.462	TXDOTOMVCJCPGE-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-127527
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](c1cc(F)c(F)cc1)C)C(=O)OCC	PC-id_9376946	408.462	TXDOTOMVCJCPGE-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127528
s1c2c(CCC2)c(c1NC(=O)CN[C@H](c1c(F)cc(F)cc1)C)C(=O)OCC	PC-id_9370281	408.462	YKIVOYZXLAZMIG-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-127529
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](c1c(F)cc(F)cc1)C)C(=O)OCC	PC-id_9370286	408.462	YKIVOYZXLAZMIG-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127530
CCNC(=NCc1nnc2n1CCC2)NCCC(c1cccc(c1)C(F)(F)F)C	PC-id_111711781	408.464	ZDJFQALUWUUWIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127531
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(F)cc1)C(=O)NC(=O)OC	PC-id_7521497	408.467	SMPHDGQMCMVMTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127532
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN1CCCCCC1=O)C(=O)OC	PC-id_41952833	408.469	BSURXNRQKNWLQL-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-127533
C=CCOc1ccc(cc1)/C=CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_2904194	408.47	NUAAZKHDQAPVCZ-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127534
C=CCOc1ccc(cc1)C=CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-9640461372,PC-id_72098943,EMOLS-id_26035140	408.47	NUAAZKHDQAPVCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127535
C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	PC-id_24347014,ZINC22_10524133,CoCoCo_2904193	408.47	NUAAZKHDQAPVCZ-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127536
CCOC(=O)c1c(sc2c1CCC2)NC(=O)c1cc(ccc1)Oc1ccccn1	PC-id_90596742	408.47	YXSQIQWRKHBYNN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127537
CS(=O)(=O)c1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	MCULE-5423865262,EMOLS-id_31548380,PC-id_46861341	408.47	WKDDXVGJYXLGGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127538
CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340532,ZINC22_51364581	408.47	WKDDXVGJYXLGGP-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127539
CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	ZINC22_51364582,PC-id_52340533	408.47	WKDDXVGJYXLGGP-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127540
s1c2CCCc2c(c1/N=C/c1oc(c2cc(ccc2)C(=O)OCC)cc1)C(=O)N	PC-id_50886182	408.47	KQQMMTFLRIARSB-WYMPLXKRSA-N	00000010101000110000100010000000000000000000000000000000	25-01-127541
s1c2CCCc2c(c1N=Cc1oc(c2cc(ccc2)C(=O)OCC)cc1)C(=O)N	PC-id_75574488	408.47	KQQMMTFLRIARSB-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-127542
s1c2c(CCC2)c(c1NC=C1C(=O)N(CCOC)C(=S)N=C1[O-])C(=O)OC	PC-id_41095705	408.472	RROPWLCOSAZSII-UHFFFAOYSA-M	00000010100011000001000010000000000000000000000000000000	25-01-127543
c12c(CCC1C(=O)NCc1ccccn1)sc(NC(=O)c1ccc(cc1)OC)n2	PC-id_16947857,EMOLS-id_12347777,MCULE-6782656114	408.473	HURXTZIMUUGVEU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127544
c12c(CCC1C(=O)NCc1cccnc1)sc(NC(=O)c1ccc(cc1)OC)n2	PC-id_16947856,MCULE-9110869245,EMOLS-id_12347775	408.473	QXGCIQOEEREKMK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127545
c12c(CCC1C(=O)NCc1ccncc1)sc(NC(=O)c1ccc(cc1)OC)n2	PC-id_16947941,MCULE-4043407987,EMOLS-id_12347945	408.473	AMXRNPWGEZKHNK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127546
c12C(=O)N(Cc1sc(N(C)C(=O)Nc1ccc(cc1)OC)n2)Cc1ccccc1	EMOLS-id_33030378,PC-id_53188457,MCULE-7916207908	408.473	VWCBXQXAQKFLDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127547
c12C(=O)N(Cc1sc(N(C)C(=O)Nc1cccc(OC)c1)n2)Cc1ccccc1	PC-id_53188456,EMOLS-id_33030376,MCULE-9820684505	408.473	SLSMGNQOHVORGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127548
C/C=CC=C/C=C/N1C(=O)c2c(C1=O)sc(=N)n2C(=O)C(=N)CC(=C)/C=CC=C	PC-id_143035080	408.473	LQWBICOPSNGZCC-HCYGQGFLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127549
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)COc1cccc(OC)c1	MCULE-5298741563	408.473	ADKHGBFVMWPUHC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127550
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)COc1ccccc1OC	MCULE-4223405177	408.473	HBZIVQRPEMKQTA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127551
O=C(c1noc(c1)c1cccs1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109558	408.473	RQBPTEPRHFVDGO-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-127552
O=C(/C=Cc1ccccc1)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2	CoCoCo_5277723,EMOLS-id_45809274,ZINC22_35127753	408.473	LLSNABDTZRLKJE-HJWRWDBZSA-N	00000010101000110001000010000000000000000000000000000000	25-01-127553
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)C=Cc1ccccc1	SCHEMBL2915429,PC-id_68439610	408.473	NUCKNGPMSJXCPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127554
S(=O)(=O)(n1nc2c(CNC2)c1NC(=O)C=Cc1ccccc1)c1cc(ccc1)C	PC-id_68439608	408.473	YMZINKYDNQVXKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127555
c1(NC(=O)C=Cc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862638,MCULE-9422451900	408.474	LLSNABDTZRLKJE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-127556
COc1ccccc1OCc1nc2s/c(=Cc3ccc(cc3)N(C)C)/c(=O)n2n1	EMOLS-id_324868620	408.474	HBZIVQRPEMKQTA-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127557
COc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)N(C)C)/c(=O)n3n2)c1	EMOLS-id_324870671	408.474	ADKHGBFVMWPUHC-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127558
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccccn2)cc1	PC-id_40894888,ZINC22_8979844,CoCoCo_5124873	408.474	HURXTZIMUUGVEU-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127559
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccccn2)cc1	PC-id_40894889,CoCoCo_5124872,ZINC22_8979845	408.474	HURXTZIMUUGVEU-MRXNPFEDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127560
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2cccnc2)cc1	CoCoCo_5124871,PC-id_40894886,ZINC22_8979842	408.474	QXGCIQOEEREKMK-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127561
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2cccnc2)cc1	ZINC22_8979843,PC-id_40894887,CoCoCo_5124870	408.474	QXGCIQOEEREKMK-MRXNPFEDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127562
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccncc2)cc1	PC-id_40894895,ZINC22_8979851,CoCoCo_5124894	408.474	AMXRNPWGEZKHNK-MRXNPFEDSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127563
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccncc2)cc1	ZINC22_8979850,PC-id_40894894,CoCoCo_5124895	408.474	AMXRNPWGEZKHNK-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127564
O=C(Cn1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2)NCc1ccco1	CoCoCo_5277724	408.474	LLSNABDTZRLKJE-CMDGGOBGSA-N	00000010101000110001000010000000000000000000000000000000	25-01-127565
O=C(Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C)/C=Cc1ccccc1	SCHEMBL2915425	408.474	YMZINKYDNQVXKE-KHPPLWFESA-N	00000010100000110001000010000000000000000000000000000000	25-01-127566
O=C(Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C)/C=C/c1ccccc1	SCHEMBL2921678,PC-id_68441674	408.474	YMZINKYDNQVXKE-ZHACJKMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127567
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)C=Cc1ccccc1	SCHEMBL2924262,PC-id_68439609	408.474	IWYRNSNSGTZSKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127568
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1C)/C=Cc1ccccc1	PC-id_140462461	408.474	NUCKNGPMSJXCPC-QXMHVHEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127569
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)/C=Cc1ccccc1	PC-id_141251707	408.474	CBXMQYLLHWVMJG-KHPPLWFESA-N	00000010100000110001000010000000000000000000000000000000	25-01-127570
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)/C=C/c1ccccc1	PC-id_141251732	408.474	CBXMQYLLHWVMJG-ZHACJKMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127571
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)/C=C/c1ccccc1	SCHEMBL2952111,PC-id_68454878	408.474	LJVNWARJMRWVDU-ZHACJKMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127572
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)/C=Cc1ccccc1	SCHEMBL2915427	408.474	IWYRNSNSGTZSKM-QXMHVHEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127573
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)/C=C/c1ccccc1	SCHEMBL2921680,PC-id_68441676	408.474	IWYRNSNSGTZSKM-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127574
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2nnc3n2CCC3)CC1	MCULE-2695914933,ZINC22_22192068,EMOLS-id_25654556,PC-id_30094644,CoCoCo_4560524	408.475	JACACRFUWUUUPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127575
S(=O)(=O)(N(CC)CC)c1cc([N+](=O)[O-])c(NCCc2n3CCCc3nn2)cc1	PC-id_78835660	408.475	KUKHTQGCBLDUNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127576
S1Cc2c(nn(c2NC(=O)c2nccnc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053794	408.477	KHILMKHRGQHUID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127577
c1(c2CCCc2sc1N=Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)OCC	MCULE-8415421636,PC-id_3369322	408.488	SOIJLWQKAJHEGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127578
c1(NC(=O)c2ccccc2F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_2104968,CoCoCo_699635,ZINC22_5042268,MCULE-4507809211,PC-id_2869285	408.488	JUSZEHJFNVMRKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127579
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1528464394,EMOLS-id_334327971	408.488	XQRKZOPFMRNNPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127580
c1(NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1345578115,EMOLS-id_334335138	408.488	LKXOVLPTHCIRAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127581
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2cccc(c2)F)sc2c1CCC2	CoCoCo_6728445	408.488	SOIJLWQKAJHEGZ-QFEZKATASA-N	00000010100000110000000010000000000000000000000000000000	25-01-127582
CCOc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccc(F)c2)cc1	ZINC22_4545639,PC-id_9666202,CoCoCo_6728444,EMOLS-id_46413479,TIMTEC454158	408.488	SOIJLWQKAJHEGZ-AFUMVMLFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127583
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_11006420,ASN-13048450,PC-id_6494035,MCULE-8709778279,ZINC22_4941231	408.492	ZEDMYDWUQAGEAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127584
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	ZINC22_10219485,EMOLS-id_16349237,CoCoCo_2590333,MCULE-2968477323,PC-id_18586249	408.492	VLOMGVPFDMIPCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127585
c1(sc2c(CCC2)c1C(=O)OCC)NS(=O)(=O)c1ccc(cc1)NC(=O)C	ZINC22_21728979,MCULE-9883870906,PC-id_45918241,EMOLS-id_22244219,CoCoCo_1989757	408.492	RBSBXFCHERQBOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127586
CCN(CC)c1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324837118	408.492	BAUKUELQDKINMC-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127587
CCOC(=O)c1c(NC(=C2C=CC(=NS(=O)(=O)C)C=C2)O)sc2c1CCC2	ZINC22_409416072	408.492	JETASDCNXQMQCV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-127588
CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)C)sc2c1CCC2	ZINC22_408614933	408.492	JZMHKOJLZWDBLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127589
CCOC(=O)n1nc2c(c1NC(=O)C(C)(C)C)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015717,SCHEMBL1205772	408.492	UPFOTECRNIMQEX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127590
COC(=O)c1c(NC(=O)c2ccccc2N(C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408613692	408.492	XMDCMXALXHWVAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127591
COC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)sc2c1CCC2	PC-id_17540106,EMOLS-id_16797336,MCULE-5058070177,CoCoCo_3314585,ZINC22_12785873	408.492	QVFCWBGCIVTZKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127592
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCC2	ZINC22_2630716,MCULE-2304478727,PC-id_2093104,CoCoCo_3314601,EMOLS-id_43840884	408.492	YFRVKKWYNXZLQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127593
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408620095	408.492	MWGGVHIIJLHYMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127594
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)Cc1ccc(F)cc1	MCULE-3748953973	408.492	BAUKUELQDKINMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127595
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)c1ccccc1O	MCULE-5921202171,EMOLS-id_328214397	408.492	NFRUADIWWWFEEL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127596
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)Oc1ccccc1	MCULE-2692737937,EMOLS-id_328219762	408.492	NRZHDTACEHGRDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127597
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1Oc1ccccc1	MCULE-7378698765,EMOLS-id_328217471	408.492	IJAZYNDIIBANQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127598
s1c2CCCc2cc1C(=O)OCc1c(c(sc1C(=O)NC)N)C(=O)OCC	PC-id_7623737	408.492	HLGCPZXASUXDPB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127599
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1	PC-id_7291830	408.492	HFNQYKLFCIQXJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127600
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1	PC-id_7623844	408.492	TYLXPEAVZGIVJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127601
s1c2CCCc2cc1C(=O)OCC(=O)NCCc1ccc(S(=O)(=O)N)cc1	PC-id_7238757	408.492	YCFFPMBZCCPUGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127602
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(nc1C)C)C(=O)OCC	PC-id_7954500	408.492	FOEAMZMJFDIJKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127603
c1(C(=O)NCC(C)Oc2cccc(CN(C)Cc3ccoc3)c2)c2CCCc2[nH]n1	MCULE-8030106999,PC-id_118755066,EMOLS-id_68877366	408.493	CATOSWHYRBCTDQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-127604
c1(NC(=O)c2ccc(cc2)S(=O)(=O)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-5404770034,CoCoCo_137423,EMOLS-id_1279620,PC-id_1037669,ZINC22_708298	408.493	ZVEZXTRNKOTBCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127605
COc1ccc(cc1)CCNC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109581	408.493	FBVQSMCDRKGAPX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-127606
C1c2c(CN1CCc1ccccc1)n(nc2)NC(=O)c1ccc(cc1)c1ccccc1	PC-id_91327395	408.495	FYTKKTNNQVIIST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127607
CC(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)c1ccccc1)c1ccccc1	PC-id_68439140,SCHEMBL2914291	408.495	WRNWHMVALYVXSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127608
CCOC(=O)c1c(sc2c1CCC2)NC(=O)CCSc1nc(cc(=O)[nH]1)N	PC-id_136077392	408.495	LBEOUSRUMRLMNE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127609
O=C(c1ccc(cc1)c1ccccc1)Nc1n[nH]c2c1CN(C2)CCc1ccccc1	SCHEMBL2914295,PC-id_68439141	408.495	GTUZYJNNLQRDBZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127610
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(nsc1NC)C)C)C(=O)N	PC-id_24527975	408.495	NWDOEUCVZYQMFG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127611
S1(=O)Cc2sc(nc2C1)NC(=O)c1c(OC(=O)N(CCNC)C)cccc1	PC-id_56971588	408.495	GBFZEDQRBBGFGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127612
S(c1n(C2CC2)c(=O)[nH]n1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_9347171	408.495	KSJBRQBZIZSRRV-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-127613
c1(C(=O)N(CC)Cc2cc(nn2CCC)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-8488012354,EMOLS-id_316325180	408.497	DUXITAGCCSEJPM-FQEVSTJZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127614
c1(C(=O)N(CC)Cc2c(C)nn(CC)c2C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316323647,MCULE-9556966316	408.497	LVMDLLUJUNTJHM-IBGZPJMESA-N	00000010100000101001000010000000000000000000000000000000	25-01-127615
c1(C(=O)N(C)CCc2c(C)nn(CC)c2C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316325693,MCULE-9738543280	408.497	NOUOOEWSESSXSN-IBGZPJMESA-N	00000010100000101001000010000000000000000000000000000000	25-01-127616
c1(C(=O)N(C)CCc2c(C)nn(CC)c2C)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-5202378684	408.497	NOUOOEWSESSXSN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127617
c1(NC(=O)CSc2[nH]c(=O)cc(c3ccccc3)n2)sc2c(CCC2)c1C#N	PC-id_135888176,MCULE-7792445997,EMOLS-id_13131653,ZINC22_11905617,CoCoCo_1109451,CoCoCo_1109452,CoCoCo_1109453	408.497	OUPPGQHVASIUIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127618
c1(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCC2)c1C#N	PC-id_1868196,EMOLS-id_2479424,CoCoCo_1017695,MCULE-8428945743,TIMTEC352421,ZINC22_2237185,STOCK3S-73148	408.497	OETZIRPFQXQKQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127619
CCCn1nc(cc1CN(C(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)CC)C	MCULE-8926347474	408.497	DUXITAGCCSEJPM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127620
NC(=O)c1c(NC(=O)CSc2nnnn2C[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_4301569,ZINC22_9416468,PC-id_41061337	408.498	NMGJIYNOHBXYKS-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-127621
NC(=O)c1c(NC(=O)CSc2nnnn2C[C@H]2CCCO2)sc2c1CCC2	CoCoCo_4301570,PC-id_41061340,ZINC22_9416476	408.498	NMGJIYNOHBXYKS-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127622
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnnn1CC1CCCO1	PC-id_16341734,EMOLS-id_11784769,MCULE-3144430069	408.498	NMGJIYNOHBXYKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127623
S1Cc2c(nn(c2NC(=O)CSc2ncccn2)CC(=O)NCCOC)C1	PC-id_44052966	408.498	CDOFXNCDRBJNFM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-127624
c1(NC(=O)CN2CCC(CC2)C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4818412,MCULE-4115402997,EMOLS-id_37177431,ZINC22_6497668	408.512	FDIDSKXUZXIAHP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127625
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCCOC	PC-id_41732955	408.512	OTJPSZAIXMJQMW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127626
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C1OCCO1)C(=O)OCC	PC-id_56412625	408.512	JJXIZHQDMWKICI-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-127627
s1c2c(CCC2)c(c1NC(=O)CN1C(CCCC1)C1OCCO1)C(=O)OCC	PC-id_56502253	408.512	OUIRIWMDWWBVEH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-127628
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)OCC)C(=O)OCC	PC-id_78589078	408.512	RHLPIXRLHPWVDL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127629
s1c2c(CCC2)c(c1NC(=O)CN1C[C@H](CCC1)C(=O)OCC)C(=O)OCC	PC-id_7986435	408.512	RHLPIXRLHPWVDL-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127630
s1c2c(CCC2)c(c1NC(=O)CN1C[C@@H](CCC1)C(=O)OCC)C(=O)OCC	PC-id_7986437	408.512	RHLPIXRLHPWVDL-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127631
s1c2c(CCC2)c(c1NC(=O)CN(CC1CC1)CC(=O)OCC)C(=O)OCC	PC-id_56159572	408.512	FTLUDGQARGLSIR-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-127632
c1(c2CCCc2sc1NCc1cccc(OC)c1)C(=O)Nc1ccc(cc1)OC	PC-id_3518623,EMOLS-id_8618076,CoCoCo_6046206,ZINC22_3065961,CHEMBL1475169,MCULE-2926884789	408.513	ZTMLYXNNGHRFBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127633
c1(c2CCCc2sc1NCc1cccc(OC)c1)C(=O)Nc1ccccc1OC	SPECS-id_AE-848/42024849,CoCoCo_345097,ZINC22_729132,PC-id_1050794,EMOLS-id_1476181,BAS-06100823,MCULE-5108159111	408.513	QOUPAPDVXMWPSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127634
c1(c2CCCc2sc1NCc1ccc(OC)cc1)C(=O)Nc1ccccc1OC	ZINC22_798212,BAS-06100822,EMOLS-id_1476179,PC-id_1082681,MCULE-3112726255,CoCoCo_345096	408.513	XQGDVMWYWQHYKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127635
c1(NC(=O)Cc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337966,MCULE-8230772074	408.513	ZJKOXHDCNDHORE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-127636
c1(NC(=O)C(=Cc2ccc(cc2)C(C)C)C#N)sc2c(CCC2)c1C(=O)OCC	MCULE-9614951420,PC-id_1186618	408.513	QBWUHQJFQUXOLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127637
c1(NC(=O)CCc2ccccc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337454,MCULE-5088286238	408.513	WJHIAJKQRCJYIS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-127638
CCC(N1Cc2c(S1(=O)=O)cc(s2)CN1CCS(=O)(=O)CC1)C(=O)O	SCHEMBL13786869,PC-id_70995067	408.513	LMCXJTXDBIFAIU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127639
CCOC(=O)c1c(NC(=O)/C(=Cc2ccc(cc2)C(C)C)/C#N)sc2c1CCC2	CoCoCo_5945819	408.513	QBWUHQJFQUXOLU-ATVHPVEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-127640
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(cc2)C(C)C)/C#N)sc2CCCc12	PC-id_5542711,EMOLS-id_207114371,CoCoCo_5945818	408.513	QBWUHQJFQUXOLU-SFQUDFHCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127641
s1c2c(CCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCOC	PC-id_74379156	408.515	QIABNYJGNIEDNW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127642
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCC(CC1)C(=O)OCC	PC-id_7685568	408.515	SGOWZOIZAJSWLY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127643
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CC(CCC1)C(=O)OCC	PC-id_78524952	408.515	ZFMDRQZEQSAAMD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127644
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1C[C@@H](CCC1)C(=O)OCC	PC-id_7685566	408.515	ZFMDRQZEQSAAMD-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127645
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1C[C@H](CCC1)C(=O)OCC	PC-id_7685567	408.515	ZFMDRQZEQSAAMD-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127646
c1(cc2n(C[C@@H](Oc3ccncc3)C2)n1)C(=O)N(C1CCCC1)Cc1cccs1	MCULE-6939418838,EMOLS-id_316323645	408.517	OVIHLCWPUQVZCI-IBGZPJMESA-N	00000010100100101001000010000000000000000000000000000000	25-01-127647
CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1	SCHEMBL2921257,BindingDB-id_21829,BindingDB_PC-id_10112131,PC-id_10112131,CHEMBL484007	408.517	BRAPWNJIQFCXTK-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127648
CC(C)(C)c1ccccc1Oc1c(cccn1)NC(=O)Nc1nc2c(s1)CCC2	SCHEMBL3159842,PC-id_87487112	408.517	QGUXNBXWMQJWQS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127649
CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)Cc2ccsc2)C3)cc1	PC-id_44400295,CHEMBL192928	408.517	JBBFQBICOPNJQP-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127650
CN(C)C(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1C	EMOLS-id_328224382,MCULE-1366325253	408.517	VXYJKNAXNUJLQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127651
O=C(C1NCc2c1c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C)Cc1cccs1	SCHEMBL4020230,PC-id_68880054	408.517	WGYLYMNBKGOMGP-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127652
O=C(C1NCc2c1[nH]nc2NC(=O)c1ccc(cc1)C(C)(C)C)Cc1cccs1	SCHEMBL4020220,PC-id_68880050	408.517	YQWTVXXUWOPBAQ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127653
O=C(N(C1CCCC1)Cc1cccs1)c1nn2c(c1)CC(C2)Oc1ccncc1	MCULE-8418738577	408.517	OVIHLCWPUQVZCI-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-127654
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)C(=O)C)C#N	PC-id_2656290	408.517	YPQSXIQZZGMCLO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127655
CC(C)n1nc2c(c1CNc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)CCC2	ZINC22_2325862127	408.533	KALJJWCNDZDWCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127656
c1(NC(=O)CS(=O)C(C)C(=O)OC2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_320676970,MCULE-5586680268	408.535	HSNTYOWMTZRFTM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127657
c1(NC(=O)CS(=O)CC(=O)OC2CCC(CC2)C)sc2c(CCC2)c1C#N	MCULE-5760633503,EMOLS-id_320678251	408.535	VALHZTMUAUXTJM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127658
Cc1ccc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)nc1	CoCoCo_3729365,EMOLS-id_48967001,MCULE-8096365927,PC-id_4061084,ZINC22_12524560	408.536	HYBJGSMCVDQMFG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127659
Cc1ccnc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)c1	CoCoCo_3730119,ZINC22_12524582,MCULE-8746500383,PC-id_4650026,EMOLS-id_48967206	408.536	RUBPYHLREHMGDN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127660
O=C1N(CCN2CCN(CC2)c2ccccc2)C(=O)c2c1c(n(c2C)CCCC)C	PC-id_3073719	408.536	JIFSNRWMBJLXDC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127661
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)N1CCOCC1	PC-id_92109956	408.536	VZSNWZNLGMBPCE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127662
O=C(Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1)c1cc2c(s1)CCC2	CoCoCo_3758947,ZINC22_3230804,EMOLS-id_2985846,MCULE-3018634983,PC-id_2348906	408.536	FEKIUTFNQBUIMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127663
O=C(Nc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1)c1cc2c(s1)CCC2	EMOLS-id_2984818,PC-id_2348770,ZINC22_3230679,CoCoCo_3758410,MCULE-2287926169	408.536	FYMGFMKWZLXIIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127664
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1	PC-id_8123258	408.536	XTYOWDRWWZLBHS-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127665
s1c2CCCc2cc1C(=O)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1	PC-id_8123259	408.536	XTYOWDRWWZLBHS-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127666
s1c2CCCc2cc1C(=O)NNC(=O)C(Sc1ccccc1)c1ccccc1	PC-id_78609349	408.536	XTYOWDRWWZLBHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127667
s1c2c(CCC2)c(c1NC(=S)Nc1c(c2ccccc2)cccc1)C(=O)OC	PC-id_19711819	408.536	KJJLMUYKASHCQJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127668
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c2CSCc2nn1C(C)(C)C	ChEMBL-DNDi_CHEMBLF0396-0169,MCULE-4538417027,PC-id_4453821,CoCoCo_4972672,ZINC22_4077251,EMOLS-id_5426267	408.538	USCNPONAMLPYGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127669
c1(NC(=O)CSc2nnc(C(C)C)n2CC)sc2c(CCC2)c1C(=O)OC	MCULE-3329026888,CoCoCo_6824029,TIMTEC96325,PC-id_17380915,EMOLS-id_4088163,ZINC22_17088081	408.538	CFBGMKNPJYDCCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127670
c1(NC(=O)CSc2nnc(C)n2CCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_4088165,CoCoCo_6807212,MCULE-9691961115,ZINC22_6400188,TIMTEC530513,PC-id_17372530	408.538	WPLLPEMSAQBZRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127671
N#Cc1c(NC(=O)CN2CCN(CC2)C2CCS(=O)(=O)C2)sc2c1CCC2	MCULE-5087262016,PC-id_16328148,EMOLS-id_11764170	408.538	QQAJFWRURHYEBH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-127672
N#Cc1c(NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)sc2c1CCC2	PC-id_9440498,ZINC22_96304944,CoCoCo_3985955,CoCoCo_3985953	408.538	QQAJFWRURHYEBH-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-127673
N#Cc1c(NC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)sc2c1CCC2	ZINC22_96304945,CoCoCo_3985954,PC-id_9440500,CoCoCo_3985956	408.538	QQAJFWRURHYEBH-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-127674
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)CC)C(=O)OC	PC-id_19716692	408.538	UZUKWTFSLCQENW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127675
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)CC)C(=O)OC	PC-id_19716806	408.538	ASDIWHGYQLKJQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127676
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C)C(=O)OCC	PC-id_19716050	408.538	ALXDSNLJFCDQOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127677
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)C)C(=O)OCC	PC-id_17270211	408.538	XXVADNVBCMPGMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127678
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC)C(=O)OCC	PC-id_19716446	408.538	SVBIHRGYAMWFTC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127679
Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc1Cc1ccccc1	EMOLS-id_11711325,CoCoCo_2888478,ZINC22_5312427,MCULE-3462035398,PC-id_16293151,CoCoCo_2888479	408.54	DDCYPNZDNWRFQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127680
CCN(CC)c1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_16807452	408.54	YGFSWKOFIXLTBF-NBNZOSCDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-127681
CCN(CC)c1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_27022036,EMOLS-id_45970284	408.54	YGFSWKOFIXLTBF-RWVXMSMHSA-N	00000000100100110001000010000000000000000000000000000000	25-01-127682
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)C=Cc1cccs1	MCULE-4230761352	408.54	YGFSWKOFIXLTBF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-127683
s1c2CCCc2c(c1NC(=O)CSc1n(c2cc(c(cc2)C)C)ccn1)C#N	PC-id_24441232	408.54	DOXHITLJWSLZKG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127684
s1c2CCCc2c(c1NC(=O)CSc1n(c2c(cc(cc2)C)C)ccn1)C#N	PC-id_24577688	408.54	PARIBHABBRNUPR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127685
s1c2CCCc2c(c1NC(=O)CSc1n(c2c(c(ccc2)C)C)ccn1)C#N	PC-id_29633751	408.54	PYTZQQBFKNKNRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127686
s1c2CCCc2c(c1NC(=O)CSc1n(c2cc(cc(c2)C)C)ccn1)C#N	PC-id_30803079	408.54	LOBCGHDSANXTAW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127687
CCOC(=O)c1c(NC(=O)CCCCCNC(=O)C(C)(C)C)sc2CCCc12	EMOLS-id_328196896,MCULE-2825525214	408.555	KNXGMGQOILDOME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127688
S1(=O)(=O)C(Cc2c1sc(CC(S(=O)(=O)N)(C)C)c2)(C)C(=O)NC(C)C	PC-id_19759879	408.556	NPSLLDYRLJWPCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127689
c1(CN(C2CCCC2)C(=O)C2CCN(CC2)S(=O)(=O)C)c2CCCc2n(C)n1	EMOLS-id_50145342,PC-id_86266587,MCULE-4675230799	408.558	NWOBKMRBQUEJTR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-127690
CCCC(C)N1Cc2c(scc2C1=O)CNC(=O)CNCCCCNC(=O)C	SCHEMBL20329341,PC-id_135178652	408.558	PASCUFKJUQSULN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127691
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)C(CCC)CCC	PC-id_44053056	408.558	KMUJRFJCZOHRGW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127692
C=CCc1c(ccs1)C(=S)c1c(n2CCC(c2c1)C#N)C(=O)c1cscc1	SCHEMBL10970348,PC-id_88700349	408.56	YLLFZUNYPPQWFD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127693
C=CCc1cn2c(c1)C(CC2)(C#N)C(=S)c1csc(c1)C(=O)c1cscc1	PC-id_88700352,SCHEMBL10970363	408.56	VACBOQBUXOBCNR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-127694
CCN(CC)c1ccccc1C[S+]([O-])c1nc2c(n1Cc1ccccn1)CCC2	CHEMBL157607,PC-id_10645156	408.56	YPHVYDHFJANTEX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127695
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(N2CCCCC2)cc1	CoCoCo_4235397,ZINC22_8161168,EMOLS-id_11776150,PC-id_9295808,MCULE-3934428996,CoCoCo_4235396	408.56	MAHMWZPVESJPLB-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-127696
O=C(N(CC1CC[NH+](C2CCCC2)CC1)Cc1cccnc1)c1n[nH]c2c1CCC2	PC-id_42515143	408.56	BZZRKZDXFYRFIT-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-127697
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1c(cccc1)C)C#N	PC-id_46683014	408.56	IFVRVULRSXKYBL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127698
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1cc(ccc1)C)C#N	PC-id_46685827	408.56	ZHRAIPXRCJMFSO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127699
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CCc1ccccc1)C#N	PC-id_24589405	408.56	ZPTQSCPQDOZJDT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-127700
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1ccc(cc1)C)c1sccc1)C#N	PC-id_84915330	408.56	CTQWWYLNUODXIT-UHFFFAOYSA-O	00000010100100110000000010000000000000000000000000000000	25-01-127701
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1ccc(cc1)C)c1sccc1)C#N	PC-id_9051980	408.56	CTQWWYLNUODXIT-NRFANRHFSA-O	00000010100100110000000010000000000000000000000000000000	25-01-127702
s1c2CCCc2c(c1NC(=O)C[NH2+][C@H](c1ccc(cc1)C)c1sccc1)C#N	PC-id_9051983	408.56	CTQWWYLNUODXIT-OAQYLSRUSA-O	00000010100100110000000010000000000000000000000000000000	25-01-127703
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC1CCCCC1)C(=O)OCC	PC-id_4934311	408.578	MODALFADZCLGFC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127704
Cc1ccsc1S(=O)(=O)N1Cc2c(CN3CCCCC3)nn(C(C)C)c2C1	ZINC22_2055719468,EMOLS-id_313736917	408.581	KVEUHUXSEGSNCW-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-127705
CCCCN(c1ccc(c(c1)C)/N=C/1c2nnc(n2N=C1C(C)(C)C)C(C)C)CC	SCHEMBL13090357,PC-id_58963907	408.583	BPSZVUUOSJAJMO-QQTULTPQSA-N	00000011100000110001000010000000000000000000000000000000	25-01-127706
s1c2c(CCC2)c(c1NC(=S)NC1CCC(C(CC)(C)C)CC1)C(=O)OC	PC-id_20180016	408.621	KRGWNRPZYJYFDI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-127707
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(Cl)cc1N	PC-id_62956370	408.722	HXHYJRXNEXJUPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127708
C/C(=CC(=C/c1c(C)n(c2c1CCC2)Cc1ccc(cc1)Cl)F)/Br	PC-id_143282075	408.735	JFUAUTDONDLWPX-YAXRHUFXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127709
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2ccc(c(Cl)c2)n2cccc2)n1	ZINC22_869844,EMOLS-id_1359765,TIMTEC566033,CoCoCo_225013,MCULE-8202116733,PC-id_1129770,BAS-01939693	408.805	YDFHMWCZULRRJK-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-127710
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1F)CN(C2(C)C)C(=O)Cl	PC-id_57523204,SCHEMBL12879128	408.811	PDWHDBLQOYMQHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127711
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)F)CN(C2(C)C)C(=O)Cl	PC-id_57523285,SCHEMBL1206281	408.811	GKJBKYUOYWNRFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127712
Clc1cc(C(=O)N2Cc3c(n(nc3NC(=O)c3ccccc3)C(=O)C)C2)ccc1	PC-id_71451357	408.838	QENRWPSMKKXLIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127713
c1(c2CCCc2sc1NC(=O)c1ccc(Cl)cc1N(=O)=O)C(=O)OC(C)C	TIMTEC271850,CoCoCo_5887001,ZINC22_2764085,EMOLS-id_4088325,MCULE-7235635748,PC-id_17285355	408.856	KSUUWMNVGHLPHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127714
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1ccc(Cl)cc1	MCULE-6960167158,ZINC22_17088122,EMOLS-id_4088323,PC-id_17378018,CoCoCo_6834125	408.856	HSJJDOPTYYDWGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127715
c1(C(=O)OC)c2C(CCc2sc1NC(=O)Nc1cccc(Cl)c1)C(=O)OC	PC-id_19187563,MCULE-2496344439	408.856	AZVQOOLRBUOKHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127716
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCC2)c1C(=O)OCCC	MCULE-8880684443,PC-id_1747409,CoCoCo_5830148,EMOLS-id_4088321,TIMTEC438906,ZINC22_2090176,SPECS-id_AK-968/15605316	408.856	RXMOCZHVRQSTGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127717
Clc1cc(c(OC)cc1)C(=O)NNC(=O)COC(=O)c1sc2CCCc2c1	PC-id_7238765	408.856	AZPDBHKJPCVRNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127718
Clc1ccc(OCC(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_7521508	408.856	QZPMQOXJQNUICE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127719
Clc1ccc(OCC(=O)NNC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_7238763	408.856	XWGDPNSLQBBCRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127720
Clc1cc(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(O)cc1	PC-id_75859976	408.856	LSMZBJWDINRALN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127721
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(N)cc1	PC-id_24383095	408.856	OFGXGUBMTIJFFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127722
Clc1cc(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(O)cc1	PC-id_52500108	408.856	LSMZBJWDINRALN-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127723
Clc1cc(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(O)cc1	PC-id_52500110	408.856	LSMZBJWDINRALN-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127724
Clc1cc(ncc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_8804281	408.856	KJQQTBKLRIWKDN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127725
Clc1cc(N)c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24363742	408.856	NWGVEPACHKFTQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127726
Clc1cc(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_7803761	408.856	TXRGWQIKIKJOFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127727
Clc1cc(O)c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_84865446	408.856	VILUMQWYYFRNSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127728
Clc1cc(O)c(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_8888995	408.856	VILUMQWYYFRNSW-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127729
Clc1cc(O)c(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_8888997	408.856	VILUMQWYYFRNSW-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127730
Clc1c(N)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_16524903	408.856	KLQWSFHJCQZCJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127731
Clc1c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_7847249	408.856	GPOXQJYEFXQEQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127732
Clc1ncccc1C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_2694718	408.856	LDPWGCOZFZBURL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127733
Clc1nccc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_24524526	408.856	RKLNCNDDDCNVMX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127734
Clc1ncc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_2694722	408.856	WCUXPBOLEHQFAZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127735
COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3456099,CoCoCo_2839231,MCULE-4282075599,PC-id_3949374,ZINC22_5244917	408.856	PKADELUHAZQHSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127736
NC(=O)c1c(NC(=O)COC(=O)COc2ccc(Cl)cc2)sc2c1CCC2	EMOLS-id_3224650,MCULE-3648271877,PC-id_2116594,CoCoCo_2924771,ZINC22_2653211	408.856	PTKJJLJXSKKKEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127737
C[C@@H](NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1nnc2n1CCC2	ZINC22_685110090	408.858	DIAXDMKGAHEBQR-LLVKDONJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127738
C[C@H](NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1nnc2n1CCC2	ZINC22_685110091	408.858	DIAXDMKGAHEBQR-NSHDSACASA-N	00000010100010110001100010000000000000000000000000000000	25-01-127739
CN1CCN(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(Cl)ncc1F	SCHEMBL19195075	408.861	FBCGUFCZUJCWDS-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-127740
COC(=O)c1ccc(Cl)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-8478659849,EMOLS-id_328221810	408.877	VQMZVKWCHXSPNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127741
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cc3ccc(cc3)Cl)C2)n1	EMOLS-id_316330292,MCULE-2841032141	408.881	JKCIJTZWJZOFOS-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127742
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)Cc3ccc(cc3)Cl)C2)n1	MCULE-9290986172	408.881	JKCIJTZWJZOFOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127743
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3cccc(Cl)c3)Cc12	MCULE-9703434998,EMOLS-id_316320054	408.881	BCBAUGKJHYKCED-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127744
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3cccc(Cl)c3)Cc12	MCULE-3137337743	408.881	BCBAUGKJHYKCED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127745
CCCCn1/c(=N/C(=O)c2cc(Cl)ccc2OC)/sc2c1C(=O)OC2(C)C	SCHEMBL4890284,PC-id_25127936	408.899	JXAYYKRYQDLCPD-UZYVYHOESA-N	00000010100000110001000010000000000000000000000000000000	25-01-127746
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OC	PC-id_9101873	408.899	VUIPTERRNYWRNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127747
Clc1c(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(cc1)CO	PC-id_60235911	408.899	YKYFWTAYCAEMNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127748
Cc1ccc(c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1Cl	PC-id_5850072,ZINC22_17088138	408.901	NJVFXPGEWYCVFB-CSKARUKUSA-N	00000010101000110000100010000000000000000000000000000000	25-01-127749
Clc1cc(c2oc(C=CC(=O)Nc3sc4CCCc4c3C#N)cc2)ccc1C	PC-id_3520477	408.901	NJVFXPGEWYCVFB-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-127750
c1(NC(=O)c2cc(Cl)ccc2OC)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277529,ZINC22_23138843,EMOLS-id_24913197,MCULE-6524347058,PC-id_30862177	408.902	MJCILBDNUKPEEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127751
c1(NC(=O)Cc2ccccc2Cl)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138955,PC-id_30862276,EMOLS-id_24913275,CoCoCo_5277572,MCULE-4060856043	408.902	USGPUFWVMCSWDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127752
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)cc1	PC-id_44053027	408.902	KSSSTPCRSQOMBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127753
Clc1ccc(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc1	PC-id_44052838	408.902	BBUWMQXPRGSKAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127754
O=C(NCc1nnc2n1CCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1	EMOLS-id_29593196,PC-id_45874923,CoCoCo_4780282,ZINC22_40069902,MCULE-9660681324	408.902	QQSNDRHXNGKAOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127755
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2074708495	408.904	JEFGVTDPRYRKTG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127756
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_5624738,PC-id_18586040,CoCoCo_5189928,MCULE-1934796394,ZINC22_10219067	408.922	XABGYLVEQQYPQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127757
c1(NC(=S)NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_978460,ZINC22_622259,SPECS-id_AT-225/NB59666,BAS-00572146,EMOLS-id_603057,CoCoCo_96908,MCULE-7205862697	408.922	UAWWECOFTOBYBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127758
c1(NC(=S)NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	STOCK1S-75202,ZINC22_2281980,CoCoCo_1721648,MCULE-3890493497,ChemDIV3237-1308,EMOLS-id_3740852,PC-id_1905589,TIMTEC354471	408.922	OHCHJFVRZRIBOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127759
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)CCOc1ccc(Cl)cc1	MCULE-9485265244,EMOLS-id_186623866	408.922	YIUZUVPQCTUQGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127760
Clc1ccc(CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_4936902	408.922	DPJNIZVIQXZTIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127761
Clc1cc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(OC)cc1	PC-id_9136604	408.922	HWWUBJCLKRECAH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-127762
Clc1ccc(OCC[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_9252532	408.922	HNJOGCLWLIDUFG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-127763
Ic1[nH]c(I)c2CS(=O)(=O)Cc12	PC-id_85833974	408.983	UQRQWTWUMNNOPQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127764
Brc1sc(Br)c2C(O)CC(NC(=O)C(F)(F)F)c12	PC-id_10960544	409.018	SLZSLACFLVLTGO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127765
COCCN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)Br)[N+](=O)[O-])C=N1	PC-id_161479983	409.039	WINHVGSVIIFBCB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127766
COCCN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)Br)[N+](=O)[O-]	PC-id_161479982	409.039	VLOUFOJDMSIKTO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127767
C1C=C2C(=C1)OC=C2CC(C(=O)C(=O)N)NC(=O)C3=NSN=C3C4=CC=CC=N4	PC-id_162021569	409.084	YUUVOHOAIMMHML-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-127768
CCCCCCCN1C(=O)c2c(Br)sc(Br)c2C1=O	MCULE-4155053596,PC-id_90363219,SCHEMBL15979460,ZINC22_103687228	409.137	MUFYLDXTAFDZRE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127769
CCCCC(N1C(=O)c2c(C1=O)c(sc2Br)Br)CC	PC-id_139257783	409.137	OZBBLSYCVUDLMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127770
CCCCC(CN1Cc2c(C1=O)c(sc2Br)Br)CC	SCHEMBL18325089	409.18	NZJCBYXUGDDXHT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127771
CC1=C(C=CC(=C1)F)C2=NC(=C(C=C2)N)CC(=O)N3CC4=CN(N=C4C3)CCOC	PC-id_160055001	409.191	XADLYJBAKADZHE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-127772
CCOC(=O)C1=NN(C2=C1CCC2)CC(=O)N3CCC(CC3)C4=CC=CC(=C4C)C	PC-id_153575399	409.237	GEVYTKCIVRSYIG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127773
c12CN(Cc1sc(I)c2C(=O)OC)C(=O)OC(C)(C)C	EMOLS-id_331065637,MCULE-6514308187	409.24	UHMIOTNYZSJBGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127774
CC1=CC(=C(C=C1)C)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587085	409.248	WXBFOXNFVGPRBO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-127775
C[C@@H](C1=Cc2c(C1)n(c(n2)NCOC)CCCCNC(=O)OC(C)(C)C)OCN	PC-id_163910648	409.269	QRTSGGKTSPLJSW-AWEZNQCLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-127776
Brc1ccccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861312,EMOLS-id_31548322,MCULE-2169571648	409.276	IXSXRPUSWOOGKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127777
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccccc1Br	PC-id_52340474,ZINC22_51364523	409.276	IXSXRPUSWOOGKU-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127778
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccccc1Br	PC-id_52340475,ZINC22_51364524	409.276	IXSXRPUSWOOGKU-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127779
CC(C)(COc1ncccc1Br)NC(=O)NCc1nnc2n1CCC2	EMOLS-id_48328149,ZINC22_95467182,MCULE-8496500463,PC-id_75449868	409.281	FQVUGZCAJDNPSP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-127780
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F	SCHEMBL18740179	409.283	JVSZMQCRSFFRCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127781
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OC(F)(F)F	SCHEMBL18758440	409.283	DTGJQLJJBXFWCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127782
Clc1cc(CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1Cl	PC-id_8234655	409.286	YCBOYYRCNJRHSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127783
Clc1c(CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(Cl)ccc1	PC-id_8013429	409.286	WCNLWZLWPFAJSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127784
Brc1ccc(cc1)OC(C(=O)NNC(=O)c1sc2c(c1)CCC2)C	PC-id_17478974,MCULE-8177927627,EMOLS-id_13567298	409.297	MYOGWQZLEIIVMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127785
Brc1ccc(cc1)O[C@@H](C(=O)NNC(=O)c1sc2c(c1)CCC2)C	CoCoCo_3440008,PC-id_26008297	409.297	MYOGWQZLEIIVMJ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127786
Brc1ccc(cc1)O[C@H](C(=O)NNC(=O)c1sc2c(c1)CCC2)C	PC-id_26008298,CoCoCo_3440007	409.297	MYOGWQZLEIIVMJ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-127787
Brc1c(cc(OC)c(OC)c1)C=NNC(=O)c1sc2CCCc2c1	PC-id_85015413	409.297	LYNWCHUCODNSML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127788
Brc1cc(OC(C(=O)NNC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_84940667	409.297	WOQNPQHSFPBUTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127789
Brc1cc(O[C@H](C(=O)NNC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_9154783	409.297	WOQNPQHSFPBUTF-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-127790
Brc1cc(O[C@@H](C(=O)NNC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_9154789	409.297	WOQNPQHSFPBUTF-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127791
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OC)sc2c(CCC2)n1	MCULE-3027568214	409.297	ANXYIKLQCYZSLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127792
c1(NC(=O)COc2ccc(cc2Br)C)sc2c(CCC2)c1C(=O)N	ZINC22_1891926,CoCoCo_5794953,MCULE-4730582492,PC-id_1631151,EMOLS-id_1851872	409.297	LGYAZCFCALGMOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127793
c1(NC(=O)COc2ccc(c(C)c2)Br)sc2c(CCC2)c1C(=O)N	PC-id_19170034,MCULE-1202432459	409.297	QMMRKMYSIQWSBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127794
CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1Br	PC-id_4503424,ZINC22_6554485	409.297	XSHNOLNMWUYQOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127795
COc1c(C)cc(Br)cc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_22775437,ZINC22_17088178	409.297	ORBGZKRPHGVOIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127796
COc1cc(/C=C/C(=O)Nc2nc3CCCc3s2)cc(Br)c1OC	EMOLS-id_334662869	409.297	ANXYIKLQCYZSLF-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127797
Brc1sc(cc1S(=O)(=O)Nc1sc2CCCc2n1)C(=O)O	PC-id_61509022	409.299	HAXFPWPSVQWOOF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-127798
CN=C(NCc1nnc2n1CCC2)NCCCc1ccc(cc1F)Br	PC-id_111604106	409.299	OBMVXIUVTFZDBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127799
O=C(NCCc1nnc2n1CCC2)C1(c2ccc(Cl)cc2Cl)CCOCC1	MCULE-3255381678,EMOLS-id_45641313,PC-id_71937678,ZINC22_65796187	409.31	NLYZMFXGYKSVCC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-127800
Cc1cc(Br)ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-8989244276,EMOLS-id_328218997	409.319	DKWSVIQROLKAEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127801
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(Br)c1	MCULE-1905677575,EMOLS-id_328218739	409.319	NFNQOTXJVOKBKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127802
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1Br	EMOLS-id_328220786,MCULE-6483840207	409.319	OSNWETITJYAVSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127803
Cc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)ccc1Br	EMOLS-id_328217974,MCULE-8112126776	409.319	QZGABHBCRMCVNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127804
N#Cc1c(NC(=O)CC[N@H+](Cc2ccc(o2)Br)C)sc2c1CCC2	GD-id_ZINC30217418	409.321	XPTZJPDIYYJJBJ-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-127805
c1(C(F)(F)F)c2CCCc2n(CC(=O)NC(C)Cn2ccc(C(F)(F)F)n2)n1	MCULE-2617568928,PC-id_19591208,EMOLS-id_8867958,TIMTEC103818	409.329	CNKMKGOQHWXCJF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127806
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCCn2c(C)cc(C(F)(F)F)n2)n1	ZINC22_20607640,PC-id_19591271,EMOLS-id_8868090,TIMTEC101314,MCULE-6870584664	409.329	CKRFNPQXXNWJLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127807
C[C@@H](Cn1ccc(C(F)(F)F)n1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607518,PC-id_29092443	409.329	CNKMKGOQHWXCJF-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-127808
C[C@H](Cn1ccc(C(F)(F)F)n1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607519,PC-id_29092444	409.329	CNKMKGOQHWXCJF-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-127809
Clc1ccc(c(c1)NC(=O)C1CCCN1C(=O)c1sc2c(c1)CCC2)Cl	EMOLS-id_44527130,PC-id_71897381,MCULE-9222765221	409.329	RLGPCXJTNDHGIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127810
O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_33134176	409.329	RLGPCXJTNDHGIL-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127811
O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2	ZINC22_33134177	409.329	RLGPCXJTNDHGIL-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127812
c1(NC(=O)CCCOc2ccc(cc2Br)CC)sc2c(CCC2)n1	EMOLS-id_334660567,MCULE-9815083687	409.341	FMFMYFZFVKYBBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127813
Brc1cnc(OCC2CCCN(Cc3nc4CCCc4s3)C2)nc1	EMOLS-id_317465169,MCULE-1872109007	409.344	RIYZUUVDPHFUMS-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-127814
Brc1cnc(OCC2CCN(Cc3nc4CCCc4s3)CC2)nc1	EMOLS-id_317468240,ZINC22_1775995991,MCULE-7427592374	409.344	QBINYEGJUOVULG-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-127815
Brc1cnc(OC[C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)nc1	ZINC22_1775996021	409.344	RIYZUUVDPHFUMS-GFCCVEGCSA-N	00000010100010100001000010000000000000000000000000000000	25-01-127816
Brc1cnc(OC[C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)nc1	ZINC22_1775996022	409.344	RIYZUUVDPHFUMS-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-127817
Clc1ccc(c(c1)Cl)Cn1ccs/c/1=N/C(=O)c1sc2c(c1)CCC2	CoCoCo_3187020	409.353	UMDVXDVVHOOIAD-DYTRJAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127818
Clc1ccc(c(c1)Cl)Cn1ccsc1=NC(=O)c1sc2c(c1)CCC2	PC-id_4832099,EMOLS-id_26059286,MCULE-3158878840	409.353	UMDVXDVVHOOIAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127819
N#Cc1c(NC(=O)CC[N@@H+](Cc2cccc(c2Cl)Cl)C)sc2c1CCC2	GD-id_ZINC22198471	409.353	QYTAYISPGLSVKE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-127820
O=C(/N=c/1sccn1Cc1ccc(Cl)cc1Cl)c1cc2c(s1)CCC2	ZINC22_7191684,CoCoCo_3187021	409.353	UMDVXDVVHOOIAD-UZYVYHOESA-N	00000010100000110001000010000000000000000000000000000000	25-01-127821
c1(NC(=O)COc2ccc(cc2)NC(=O)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_323213552,MCULE-7253002012	409.382	KFGBHNJVEGQOLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127822
c1(NC(=O)COc2cccc(c2)NC(=O)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_323213666,MCULE-5287988136	409.382	BVVBYBGHSPBDGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127823
S(=O)(=O)(c1c(n(nc1)c1ncncn1)N/N=C/1c2n(N=C1C#C)nc(n2)C=C)C	PC-id_58113677	409.385	AOGQPHPCJXWYMU-MTJSOVHGSA-N	00000011100000100001100010000000000000000000000000000000	25-01-127824
O=C(Nc1ccccc1)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19718896	409.395	NZKMTWRYKFNVOW-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127825
CCCc1c(nc2n1C[C@H](O2)COc1ccc(cc1)C1(CC1)C(F)(F)F)C(=O)N	PC-id_140261656	409.402	AXOXXEJSDHXKHA-AWEZNQCLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-127826
COc1ccc(cc1C(=O)Nc1n(C[C@H]2CCCO2)nc2c1CCC2)C(F)(F)F	SCHEMBL2816546,PC-id_67546297	409.402	OIMLRKOSKHOQNJ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127827
FC(F)(F)c1cc(C(=O)Nc2n(nc3c2CCC3)CC2OCCC2)c(OC)cc1	PC-id_77310687	409.402	OIMLRKOSKHOQNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127828
OCCCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261640	409.402	HCLRUAXTKHBXRP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127829
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)cc(F)c1)C(=O)OCC	PC-id_3392522	409.404	YHVQSAKYHHKIFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127830
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(F)cccc1F)C(=O)OCC	PC-id_8293563	409.404	RIZJUEKYUPXXRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127831
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(F)cc(F)cc1)C(=O)OCC	PC-id_3276484	409.404	AZUCBOSZOHPQCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127832
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)c1ccc(c(F)c1)OC	EMOLS-id_207863122,MCULE-1504200746	409.414	SDFNYCNOKSLOLP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127833
C1Cc2nnc(n2C1C(=O)NCc1ccc(cc1)F)CNC(=O)Nc1cnccc1	PC-id_134788113	409.417	YWXCQDXIEGVZFG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127834
c1(NC(=O)COc2nonc2C(=O)Nc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333678070,MCULE-6950274830	409.418	XDHJUYHRIAXAAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127835
O=C(C1CN(C(=O)C1)Cc1cccc(c1)C(F)(F)F)Nc1sc2c(n1)CCC2	EMOLS-id_33351688,MCULE-6796375996,PC-id_51117171	409.425	ASVMSIVHPBSIBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127836
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1	PC-id_52326222,ZINC22_49604620	409.425	ASVMSIVHPBSIBO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127837
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1	ZINC22_49604621,PC-id_52326223	409.425	ASVMSIVHPBSIBO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127838
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(SC(F)F)nccc1)C#N	PC-id_8381948	409.43	CSCKERASUHWCST-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-127839
COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1OC	ZINC22_27023204,EMOLS-id_45970870	409.433	RPUHSMWHVSLIMJ-AWTFBBCTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127840
COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)c(OC)c1	ZINC22_5192716,EMOLS-id_206981338,STOCK4S-54461	409.433	WXUGOGZVJIDZSA-HNBDTFNUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127841
COc1ccc(/C=C/c2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1OC	ZINC22_16742148,EMOLS-id_45965711	409.433	FPRRNSLRJHIZBB-FHZYVREQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127842
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_45965659,ZINC22_16742055	409.433	JXCFFOWAOHDSDJ-AWTFBBCTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127843
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3353477154	409.433	JXCFFOWAOHDSDJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127844
n12nc(nc1sc(=Cc1ccccc1F)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9670970457	409.433	PSULGJKONKVCSO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127845
n12nc(nc1sc(=Cc1ccc(cc1OC)OC)c2=O)C=Cc1ccc(cc1)F	MCULE-3103979734	409.433	WXUGOGZVJIDZSA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127846
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3397896947	409.433	FPRRNSLRJHIZBB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127847
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)C=Cc1ccc(cc1)F	MCULE-1669063711	409.433	APTIQKMPMBUKKL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127848
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)C=Cc1ccc(cc1)F	MCULE-8743770219	409.433	RPUHSMWHVSLIMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127849
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)C=Cc1ccc(cc1)F	MCULE-7665290580	409.433	IPOMZIIWLOAKDM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127850
OC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	PC-id_70541230,SCHEMBL11219653	409.437	NEFNOHYHVJROAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127851
CC(CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)n1ccoc1=O)C	PC-id_139982978	409.438	JZUINTCSSKWZSG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127852
N=c1[nH]nc2nc(CC(=O)/C=C/c3ccccc3)/c(=C/C(=O)/C=C/c3ccccc3)/n12	LI_75463,CoCoCo_5636545,NSC382726	409.44	HLCPOUGWCUSZRR-DIZGUGKASA-N	00000000100000110001000010000000000000000000000000000000	25-01-127853
O=C(Cc1nc2n(/c/1=CC(=O)/C=Cc1ccccc1)c(nn2)N)/C=Cc1ccccc1	CoCoCo_5636546	409.44	HLCPOUGWCUSZRR-DNIKABLSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127854
O=C(Cc1nc2n(/c/1=CC(=O)/C=Cc1ccccc1)c(nn2)N)/C=C/c1ccccc1	CoCoCo_5636547	409.44	HLCPOUGWCUSZRR-YURGEYLFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127855
O=C(Cc1nc2n(/c/1=CC(=O)/C=C/c1ccccc1)c(nn2)N)/C=Cc1ccccc1	CoCoCo_5636548	409.44	HLCPOUGWCUSZRR-KORZUUTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127856
O=C(Cc1nc2n(/c/1=C/C(=O)/C=Cc1ccccc1)c(nn2)N)/C=C/c1ccccc1	CoCoCo_5636549,CoCoCo_5636550	409.44	HLCPOUGWCUSZRR-GTTQKGKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127857
O=C(Cc1nc2n(/c/1=C/C(=O)/C=C/c1ccccc1)c(nn2)N)/C=Cc1ccccc1	CoCoCo_5636551	409.44	HLCPOUGWCUSZRR-RIPNIQHNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127858
O=C(Cc1nc2n(/c/1=C/C(=O)/C=C/c1ccccc1)c(nn2)N)/C=C/c1ccccc1	CoCoCo_5636552	409.44	HLCPOUGWCUSZRR-LCZBQNMQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127859
O=C(Cc1nc2n(c1=CC(=O)C=Cc1ccccc1)c(nn2)N)C=Cc1ccccc1	PC-id_343312	409.44	HLCPOUGWCUSZRR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127860
O=C(Cc1nc2n(c1=CC(=O)/C=C/c1ccccc1)c(nn2)N)/C=C/c1ccccc1	PC-id_50990124	409.44	HLCPOUGWCUSZRR-LKDATBGUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127861
CCC(C(=O)Nc1cc(C)n(n1)C1CCCC1)n1nc(c2CCCc12)C(F)(F)F	PC-id_19591182,EMOLS-id_8867902,MCULE-2674097620,TIMTEC505992	409.449	VODREMPXTRAFNP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-127862
CC[C@H](C(=O)Nc1cc(C)n(C2CCCC2)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092468,ZINC22_20607555	409.449	VODREMPXTRAFNP-OAHLLOKOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-127863
CC[C@@H](C(=O)Nc1cc(C)n(C2CCCC2)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607554,PC-id_29092467	409.449	VODREMPXTRAFNP-HNNXBMFYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-127864
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(OC(F)F)cc1)C)C(=O)N	PC-id_9024206	409.45	HSSYEQSBFDJAFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127865
Cc1ncc(cn1)C(CNC(=O)C1COc2ncsc12)N1CCC(F)(F)CC1	BindingDB_PC-id_90303475,BindingDB-id_412960,SCHEMBL15903611,PC-id_90303475	409.453	MWNYPZLZUURAMT-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-127866
CC(C)[C@H](NC(=O)C(=O)Nc1cccc(SC(F)F)c1)c1nnc2n1CCC2	PC-id_97211805,ZINC22_95393998	409.453	LKBZMHWDHDZJIL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127867
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(SC(F)F)c1)c1nnc2n1CCC2	PC-id_97211806,ZINC22_95393999	409.453	LKBZMHWDHDZJIL-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127868
FC(Sc1cccc(c1)NC(=O)C(=O)NC(c1nnc2n1CCC2)C(C)C)F	MCULE-2395858084,PC-id_75420142,EMOLS-id_48230984	409.453	LKBZMHWDHDZJIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127869
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)CS(=O)(=O)c1ccccc1	PC-id_139746942	409.455	JBLRMZBRZIOUPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127870
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)CS(=O)(=O)c1ccccc1	PC-id_139746945	409.455	PHIVNWWKKPQEEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127871
c1(NC(=O)C2CC(=O)N(c3ccccc3C(=O)OC)C2)sc2c(CCC2)c1C#N	MCULE-9210369212,EMOLS-id_322628416	409.458	DKCVPIGYYNPLKX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127872
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)C)n2)sc2c(CCC2)c1C(=O)OC	ZINC22_8868389,PC-id_16438436,EMOLS-id_9836505,CoCoCo_6211207,MCULE-9847664076,TIMTEC126119	409.458	DMHYVFBHSVNICM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127873
c1(NC(=O)c2c(=O)ccn(c3ccccc3)n2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6285588,MCULE-9782640715,ZINC22_12062863,EMOLS-id_9878537,TIMTEC113858,PC-id_16452703	409.458	CYQNFRQDUHCDCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127874
c1(NC(=O)c2c(=O)ccn(c3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)OC	ZINC22_12062540,EMOLS-id_9847580,PC-id_16447273,MCULE-8193424408,TIMTEC290634,CoCoCo_6264147	409.458	LNUPYYWTWPPGIZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127875
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccco2)sc2CCCc2c1C#N	MCULE-2815471581,EMOLS-id_331628740	409.458	GCXOWONBNBFQDF-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-127876
CCc1cccc(OCc2nc3s/c(=Cc4ccc(O)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324890118	409.458	SFVTVRYRXUCPPQ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127877
CCc1ccc(OCc2nc3s/c(=Cc4ccc(O)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324885005	409.458	CEVNKOGAWJEADG-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127878
CCOc1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324848379	409.458	NVMRAQHDOJTGDN-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127879
CCOc1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)ccc1OC	EMOLS-id_324844276	409.458	RHPNBLSPNHSLIH-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127880
CCOc1cc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)ccc1O	EMOLS-id_324866564	409.458	YHBDWXKKNGGOIG-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127881
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324843253	409.458	DTXUHWOGNWMOKE-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127882
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1	EMOLS-id_324868621	409.458	XRYMVXPWUMSJLK-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127883
CCOc1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1	EMOLS-id_324874752	409.458	MKISZWNSOAVVCD-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127884
CCOc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1O	EMOLS-id_324848382	409.458	LVWXCZFQMOHMNJ-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127885
CCOc1cccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)c1	EMOLS-id_324871170	409.458	LANZKXJNJMZQFJ-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127886
CCOc1cccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)c1O	EMOLS-id_324866567	409.458	HHWFANHRDWTTTQ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127887
CCOc1cccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)c1	EMOLS-id_324877316	409.458	YYKXOSLIPFFYDC-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127888
CCOc1ccc(OCc2nc3s/c(=Cc4ccccc4OC)/c(=O)n3n2)cc1	EMOLS-id_324878851	409.458	ZMOSOBPLUBNMSN-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127889
CCOc1ccc(OCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324881927	409.458	JNGQIYYRHAESER-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127890
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324879875	409.458	XQPBYVLRWOSSSQ-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127891
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(OC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324881409	409.458	MHIKWDVZMFUNEF-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127892
COc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324836085	409.458	RDONVGTWSJKDGW-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127893
COc1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324851444	409.458	RNWCJIGXLPNXHB-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127894
COc1cc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)ccc1O	EMOLS-id_324870662	409.458	HLQOKUFTFOMINP-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127895
COc1cc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)ccc1O	EMOLS-id_324876808	409.458	BRMZZUHPJRWGCL-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127896
COc1cc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)ccc1O	EMOLS-id_324878859	409.458	LWAUUMOJCIMKOR-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127897
COc1cc(/C=c/2sc3nnc(Cc4ccccc4)n3c2=O)cc(OC)c1OC	ZINC22_13547530	409.458	TWIXBQOJRJVMJB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127898
COc1ccc(Cc2nc3s/c(=Cc4ccccc4OC)/c(=O)n3n2)cc1OC	EMOLS-id_324925960	409.458	LNFJDGCMIPHVBU-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127899
COc1ccc(Cc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)cc1OC	EMOLS-id_324924941	409.458	PKNVITUJQPCFCQ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127900
COc1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324924423	409.458	MGFBEJBVJYWKNB-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127901
COc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324846843	409.458	PIBDHETULWAKTL-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127902
COc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_324869123	409.458	RLANRTZAIDBGRC-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127903
COc1ccc(CCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324891148	409.458	GJXVASUJRYTPQT-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127904
COc1ccc(CCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324891657	409.458	MUKXMYKRGAKNSE-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127905
COc1cccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)c1	EMOLS-id_324926984	409.458	UIIYXRGIRRTDRS-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127906
COc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1OC	EMOLS-id_324846335	409.458	HYXFFOVEBWKGAI-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127907
COc1cccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)c1OC	EMOLS-id_324868615	409.458	FZKYMYRQUKOZFZ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127908
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(O)c4)/c(=O)n3n2)cc1	EMOLS-id_324891651	409.458	XTDBJKWLTTWJMG-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127909
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(O)cc4)/c(=O)n3n2)cc1	EMOLS-id_324892160	409.458	XCIYDLUTYXRPTJ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127910
COc1ccc(OC)c(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324846847	409.458	INBCXOKMTONLDC-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-127911
COc1ccc(OC)c(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)c1	EMOLS-id_324869127	409.458	RBDXKJJLPOGLJE-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127912
COCc1nc2s/c(=Cc3ccc(OCc4ccccc4)c(OC)c3)/c(=O)n2n1	EMOLS-id_324902405	409.458	CEDRQVAKRPSOAH-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127913
n12CCC(C(=O)Nc3ccc(cc3)S(=O)(=O)N)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548382,MCULE-4490261449,PC-id_46861342	409.458	PMIJIUBQPGGGSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127914
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)CCCOc1ccc(OC)cc1	MCULE-2675117016	409.458	XCIYDLUTYXRPTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127915
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-8526343933	409.458	MGFBEJBVJYWKNB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127916
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-9343285984	409.458	LNFJDGCMIPHVBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127917
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1ccc(cc1)OCC	MCULE-4167498586	409.458	ZMOSOBPLUBNMSN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127918
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)COc1ccc(cc1)OCC	MCULE-4948096184	409.458	MHIKWDVZMFUNEF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127919
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)COc1ccccc1OC	MCULE-4132755866	409.458	XRYMVXPWUMSJLK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127920
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CCOc1ccccc1	MCULE-1538965632	409.458	INBCXOKMTONLDC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127921
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1ccc(cc1)C	MCULE-1592016847	409.458	RBDXKJJLPOGLJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127922
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4898767837	409.458	PKNVITUJQPCFCQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127923
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)COc1ccc(cc1)OCC	MCULE-6035868710	409.458	JNGQIYYRHAESER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127924
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-2078707559	409.458	GJXVASUJRYTPQT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127925
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-9974360976	409.458	XTDBJKWLTTWJMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127926
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5649793190	409.458	UIIYXRGIRRTDRS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127927
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-7234775464	409.458	XQPBYVLRWOSSSQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127928
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)COC	MCULE-9627679557	409.458	CEDRQVAKRPSOAH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127929
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCOc1ccccc1	MCULE-9689308430	409.458	HYXFFOVEBWKGAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127930
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1ccc(cc1)C	MCULE-9736952142	409.458	FZKYMYRQUKOZFZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127931
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1ccccc1OC	MCULE-4144889758	409.458	LANZKXJNJMZQFJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127932
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1cccc(OC)c1	MCULE-4546748433	409.458	YYKXOSLIPFFYDC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127933
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCOc1ccccc1	MCULE-1763526265	409.458	LVWXCZFQMOHMNJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127934
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1ccc(cc1)C	MCULE-7632434676	409.458	HHWFANHRDWTTTQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127935
n12nc(nc1sc(=Cc1ccc(O)cc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9119141338	409.458	MUKXMYKRGAKNSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127936
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)COc1cccc(OC)c1	MCULE-8484608857	409.458	MKISZWNSOAVVCD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127937
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1ccccc1	MCULE-5887652190	409.458	DTXUHWOGNWMOKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127938
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CCOc1ccccc1	MCULE-9872833535	409.458	PIBDHETULWAKTL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127939
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1ccc(cc1)C	MCULE-8397872737	409.458	RLANRTZAIDBGRC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127940
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)Cc1ccccc1	MCULE-8994183387	409.458	RDONVGTWSJKDGW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127941
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1ccccc1	MCULE-1219181076	409.458	RHPNBLSPNHSLIH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127942
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CCCOc1ccccc1	MCULE-7877408991	409.458	RNWCJIGXLPNXHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127943
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1ccc(cc1)CC	MCULE-5363362873	409.458	CEVNKOGAWJEADG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127944
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1cccc(C)c1C	MCULE-3176994210	409.458	BRMZZUHPJRWGCL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127945
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1c(C)cccc1C	MCULE-3906185409	409.458	HLQOKUFTFOMINP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127946
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1cc(C)ccc1C	MCULE-8441086419	409.458	LWAUUMOJCIMKOR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127947
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1cccc(CC)c1	MCULE-6107460178	409.458	SFVTVRYRXUCPPQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127948
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CCOc1ccccc1	MCULE-7946140210	409.458	NVMRAQHDOJTGDN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127949
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1ccc(cc1)C	MCULE-4087752556	409.458	YHBDWXKKNGGOIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-127950
NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340534,ZINC22_51364583	409.458	PMIJIUBQPGGGSW-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127951
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1	PC-id_52340535,ZINC22_51364584	409.458	PMIJIUBQPGGGSW-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127952
O=C(c1ccc(c(c1)NC(=O)c1ccco1)C)NNC(=O)c1sc2c(c1)CCC2	PC-id_24414298,EMOLS-id_43876285,MCULE-6920892494,CoCoCo_3440003	409.458	HJCFQFLVWDFVGS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-127953
O=C(NNC(=O)c1sc2c(c1)CCC2)COc1cccc(c1)Oc1ccccn1	EMOLS-id_24088619,PC-id_25349472,CoCoCo_4683577,MCULE-4114904847	409.458	CBJIJTQZBAUAFP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-127954
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/c1ccc(cc1)C#N)C)C(=O)N	PC-id_8398361	409.458	PGYZXYWVVMXBAI-VMPCVLLUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127955
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/c1ccc(cc1)C#N)C)C(=O)N	PC-id_8398362	409.458	PGYZXYWVVMXBAI-BZYZDCJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127956
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1)C#N	PC-id_7952830	409.458	XYOMBKVVXXSVDK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127957
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(N2CCCC2=O)ccc1)C#N	PC-id_8727071	409.458	JOSQFDPQOSXYRA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127958
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(N2CCCC2=O)cccc1)C#N	PC-id_9131732	409.458	OWUKGMPUIFQIBE-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-127959
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1ccc(cc1)C#N)C)C(=O)N	PC-id_78685611	409.458	PGYZXYWVVMXBAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127960
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)C=Cc1ccccc1)C#N	PC-id_78589876	409.458	MKXURZARMBHUIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127961
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)/C=C/c1ccccc1)C#N	PC-id_7991444	409.458	MKXURZARMBHUIC-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127962
c12NC(=O)C(CC(=O)Nc3ccccc3OC)n1nc(SCc1ccccc1)n2	STOCK6S-51262,EMOLS-id_17106642,PC-id_135629922,MCULE-2725665158	409.462	GRLTWKISMWAQRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127963
c12NC(=O)C(CC(=O)Nc3cccc(OC)c3)n1nc(SCc1ccccc1)n2	PC-id_135629960,EMOLS-id_17111335,STOCK6S-54454,MCULE-3123665391	409.462	FUJUEKNRQQUQNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127964
COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn12	PC-id_135897687,ZINC22_13722281	409.462	GRLTWKISMWAQRW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127965
COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(SCc3ccccc3)nn12	ZINC22_13722278,PC-id_135897686	409.462	GRLTWKISMWAQRW-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127966
COc1cccc(NC(=O)C[C@H]2C(=O)Nc3nc(SCc4ccccc4)nn23)c1	PC-id_135904150,ZINC22_13731959	409.462	FUJUEKNRQQUQNF-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127967
COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(SCc4ccccc4)nn23)c1	ZINC22_13731956,PC-id_135904149	409.462	FUJUEKNRQQUQNF-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127968
O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)CCC(=O)c1cccs1	PC-id_68442949,SCHEMBL2924767	409.462	JWVQQIQVEFYLTE-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127969
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)/C=C/c1cccnc1	PC-id_68439548,SCHEMBL2915268	409.462	DANUSPKLLXAPFO-CMDGGOBGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127970
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)C=Cc1cccnc1	SCHEMBL2915273,PC-id_68439550	409.462	DANUSPKLLXAPFO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127971
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)/C=C/c1ccncc1	SCHEMBL2924953,PC-id_68443019	409.462	NCEJUJSXCJCGLL-VOTSOKGWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127972
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)C=Cc1ccncc1	SCHEMBL2924956,PC-id_68443021	409.462	NCEJUJSXCJCGLL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127973
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)/C=C/c1ccncc1	SCHEMBL2913886,PC-id_68438963	409.462	LQMNSZOPUULYSF-VOTSOKGWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127974
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)C=Cc1ccncc1	SCHEMBL2913891,PC-id_68438964	409.462	LQMNSZOPUULYSF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127975
O=C(Nc1n[nH]c2c1CN(C2)C(=O)NC(=O)c1ccccc1)CCc1cccs1	SCHEMBL2919853,PC-id_68441089	409.462	FVXIYLKRNJZPCR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-127976
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)C=Cc1cccnc1	PC-id_141251708	409.462	SHOOUDXMYZADLW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127977
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(cc1)C)/C=C/c1cccnc1	SCHEMBL13729718,PC-id_70978974	409.462	ZPBPSNGCLKDANF-RMKNXTFCSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127978
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)C=Cc1ccncc1	PC-id_141251757	409.462	AXXKFNVSNQKFNB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127979
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)C=Cc1cccnc1	SCHEMBL2915271,PC-id_68439549	409.462	CVFSIYAIYXQIOK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127980
S(=O)(=O)(N1Cc2c([nH]nc2NC(=O)/C=C/c2cccnc2)C1)Cc1ccccc1	PC-id_68441245	409.462	CVFSIYAIYXQIOK-CMDGGOBGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-127981
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)OCC)C(=O)OCC	PC-id_2654269	409.5	RFYGMRARNILIEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128059
c1(NC(=O)CNc2ccc(c(c2)n2cnnn2)OCC)sc2c(CCC2)c1C#N	MCULE-8150715923,EMOLS-id_320687420	409.465	YMRWSFNGUNJETK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127982
c1(NC(=O)CNc2ccc(c(OC)c2)n2c(C)nnn2)sc2c(CCC2)c1C#N	MCULE-5903503138,EMOLS-id_320721196	409.465	SKAYGPIPSBLPAA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127983
c1(NC(=O)CNc2ccc(c(OCC)c2)n2cnnn2)sc2c(CCC2)c1C#N	EMOLS-id_320637104,MCULE-8038459528	409.465	TZJWYMZYQKQADG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-127984
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1cc(F)c(F)cc1)C)C(=O)OCC	PC-id_84995589	409.47	TXDOTOMVCJCPGE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-127985
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1c(F)cc(F)cc1)C)C(=O)OCC	PC-id_84994146	409.47	YKIVOYZXLAZMIG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-127986
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1cc(F)c(F)cc1)C)C(=O)OCC	PC-id_9376941	409.47	TXDOTOMVCJCPGE-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-127987
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1cc(F)c(F)cc1)C)C(=O)OCC	PC-id_9376945	409.47	TXDOTOMVCJCPGE-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-127988
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1c(F)cc(F)cc1)C)C(=O)OCC	PC-id_9370280	409.47	YKIVOYZXLAZMIG-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-127989
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1c(F)cc(F)cc1)C)C(=O)OCC	PC-id_9370285	409.47	YKIVOYZXLAZMIG-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-127990
Cc1ccc(cc1F)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331273571	409.473	JFQHEACBHSFWGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127991
CO[C@H]([C@@](C(O)(C)C)(C(=O)OCc1ccn2c1[C@H](CC2)OC(=O)/C(=CC)/C)O)C	PC-id_102116588	409.473	IAXLVILDXLCQDO-JCRGYTLZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127992
CO[C@@H](C)[C@@](O)(C(=O)OCc1ccn2CC[C@H](OC(=O)/C(=C/C)/C)c12)C(C)(C)O	EMOLS-id_337858206	409.473	IAXLVILDXLCQDO-AXDYITGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127993
O(C1c2n(CC1)ccc2COC(=O)C(O)(C(O)(C)C)C(OC)C)C(=O)C(=CC)C	PC-id_78410563	409.473	IAXLVILDXLCQDO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127994
O([C@@H]1c2n(CC1)ccc2COC(=O)[C@](O)(C(O)(C)C)[C@@H](OC)C)C(=O)/C(=C/C)/C	PC-id_6445133	409.473	IAXLVILDXLCQDO-IYEGRXQXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-127995
c12c(CCC1C(=O)NCCc1ccccc1)sc(NC(=O)c1ccc(cc1)F)n2	EMOLS-id_12346513,PC-id_16947226,MCULE-7372798884	409.477	QEVTUJPHTLEAIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-127996
CCOc1ccc(cc1OC)[C@H](N1C(=O)c2c(C1=O)csc2)CS(=O)(=O)C	PC-id_141237108	409.477	NDDZGTOBNIXDBX-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127997
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)csc2)CS(=O)(=O)C	PC-id_141237100	409.477	JHQXDSJXXBUUEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127998
CCOc1ccc(cc1OC)C(N1C(=O)c2c(C1=O)csc2)CS(=O)(=O)C	PC-id_141237104	409.477	NDDZGTOBNIXDBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-127999
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCCc1ccccc1)c1ccc(F)cc1	CoCoCo_5124761,ZINC22_9131539,PC-id_40945473	409.477	QEVTUJPHTLEAIK-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128000
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCCc1ccccc1)c1ccc(F)cc1	PC-id_40945472,ZINC22_9131538,CoCoCo_5124760	409.477	QEVTUJPHTLEAIK-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128001
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(OC)cc1)C(=O)OC	PC-id_44009304	409.477	NRUARLLVFCSTSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128002
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(F)c(cc1)C	PC-id_16947601	409.477	YNAJAOMVMUTVOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128003
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCc1ccc(F)cc1	PC-id_16947533	409.477	PIGRGGJDAAFGLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128004
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(cc1)CC	PC-id_16947241	409.477	UGEFGOIIWQESQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128005
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_16947269	409.477	QUUMQGSBEXSZKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128006
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(cc(cc1)C)C	PC-id_16947270	409.477	RBAIPYZTDPYYSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128007
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_16947271	409.477	WNFDZKYBNHPKKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128008
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_16947272	409.477	RZGPPQHFQCTHCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128009
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(cccc1C)C	PC-id_16947273	409.477	MHLRATJXORSFHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128010
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_16947274	409.477	QBSRURLXQVDJSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128011
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(CC)cccc1	PC-id_16947240	409.477	YQOSLKPQXXCWNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128012
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(cc1)C	PC-id_16947218	409.477	KJEQCIAYBVGVGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128013
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NC(c1ccccc1)C	PC-id_16947220	409.477	JECISWTVWOSDJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128014
c1(CN(Cc2ccco2)C(=O)Cc2ccc(OC)c(OC)c2)c2CCCc2n(C)n1	EMOLS-id_50145214,MCULE-4475352996,PC-id_86266520	409.478	GZZKOACUVWFOFG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128015
CCOc1ccc(cc1)OCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109391	409.478	IMKCDFJXBAHVDA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128016
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_74534112	409.478	JNFMVOLNNHVKSW-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-128017
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27524605	409.478	JNFMVOLNNHVKSW-LSDHHAIUSA-M	00000010100011110000000010000000000000000000000000000000	25-01-128018
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27524607	409.478	JNFMVOLNNHVKSW-GJZGRUSLSA-M	00000010100011110000000010000000000000000000000000000000	25-01-128019
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27524609	409.478	JNFMVOLNNHVKSW-HUUCEWRRSA-M	00000010100011110000000010000000000000000000000000000000	25-01-128020
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27524611	409.478	JNFMVOLNNHVKSW-CABCVRRESA-M	00000010100011110000000010000000000000000000000000000000	25-01-128021
C/C(=C/c1c2CCCc2co1)/[P+](c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_134309985	409.479	JKOYUSPWQLHNOV-XDOYNYLZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128022
COc1ccc(cc1NC(=O)C)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_16681808,CoCoCo_3532719,MCULE-4417105089,PC-id_8474165	409.48	FFKRHCQBVINRGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128023
COc1ccc(NC(=O)C)cc1S(=O)(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-3144135693,CoCoCo_3541090,EMOLS-id_3424596,PC-id_4790633,ZINC22_6508499	409.48	PNITZOTZDRIYGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128024
COc1ccc(S(=O)(=O)N)cc1NC(=O)CNC(=O)c1cc2c(s1)CCC2	PC-id_146087129,MCULE-9510898628,ZINC22_1875256018,EMOLS-id_324026627	409.48	OUXWAAXDAVCQEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128025
COCCn1c(c(c(=O)[nH]c1=S)/C=N/c1c(c2c(s1)CCC2)C(=O)OC)O	PC-id_135550214	409.48	UHKVNNRQRVRLSP-QGMBQPNBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-128026
COCCn1c(c(c(=O)[nH]c1=S)C=Nc1c(c2c(s1)CCC2)C(=O)OC)O	PC-id_136701456	409.48	UHKVNNRQRVRLSP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-128027
COCCN1C(=O)/C(=CNc2sc3c(c2C(=O)OC)CCC3)/C(=O)NC1=S	CoCoCo_3927968,ZINC22_103840797,CoCoCo_3927966,PC-id_45356222	409.48	RROPWLCOSAZSII-NTMALXAHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128028
COCCN1C(=S)NC(=O)/C(=CNc2sc3c(c2C(=O)OC)CCC3)/C1=O	CoCoCo_3927969,PC-id_17549398,CoCoCo_3927967	409.48	RROPWLCOSAZSII-CSKARUKUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128029
COCCN1C(=S)NC(=O)C(=CNc2sc3c(c2C(=O)OC)CCC3)C1=O	EMOLS-id_26200414,MCULE-9816981007,PC-id_41095706	409.48	RROPWLCOSAZSII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128030
s1c2CCCc2cc1C(=O)NCCNc1c([N+](=O)[O-])cc(S(=O)(=O)C)cc1	PC-id_8359765	409.48	CQLMFDYJRFJAHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128031
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1cc(OC)c(NC(=O)C)cc1	PC-id_8474114	409.48	SAIIBYZEICNKBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128032
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cn1c(csc1=O)C)C)C(=O)N	PC-id_9306011	409.48	JPENISOKIPGGRY-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-128033
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cn1c(csc1=O)C)C)C(=O)N	PC-id_9306016	409.48	JPENISOKIPGGRY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128034
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(nsc1N)C)C(=O)OCC	PC-id_8646725	409.48	UTBHCKRBEUGQIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128035
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1snnc1CC)C(=O)OCC	PC-id_8535167	409.48	KRPZWAZJUXYMRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128036
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCn1c(csc1=O)C)C(=O)N	PC-id_16283249	409.48	WGTQLTJIPXJECM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128037
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cn1c(csc1=O)C)C)C(=O)N	PC-id_84975427	409.48	JPENISOKIPGGRY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128038
s1c2c(CCC2)c(c1NC(=S)NC(=O)CN1C(=O)CCC1=O)C(=O)OCC	PC-id_24046251	409.48	CQYGEPKHDWOQIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128039
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)C1CC1)C(=O)Nc1ccc(cc1)C	PC-id_141417086	409.481	LWSFJSYHGLXOIL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128040
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)C1CC1)N(c1ccc(cc1)C)C=O	PC-id_141257325	409.481	HINFXERRMVHZSC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128041
CC(CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)C1CCNC1=O)C	PC-id_141251777	409.481	KFJAPFRXGGCXAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128042
CC(CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1=O)C	PC-id_68452518,SCHEMBL2944868	409.481	INNMRZUFUXXYGK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128043
O=C(n1nc(NC(=O)c2ccc(cc2)C)c2c1CN(C2)C(=O)NCCCC)C1CC1	PC-id_54767645	409.481	YKROTRULKKSCKM-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128044
O=C(n1nc(NC(=O)Cc2ccccc2)c2c1CN(C2)C(=O)NCCCC)C1CC1	PC-id_54767971	409.481	LWRNPBWYHDDKKU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128045
s1c2CCCc2c(c1NC(=O)COC(=O)c1nc(sc1)c1ccccc1)C#N	PC-id_8278372	409.481	MMNLLAHXYYDYIA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128046
c1(NC(=O)CSc2nnc(c(=O)[nH]2)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_322524272,MCULE-3901777920	409.485	ZMZPCMFOMNGFPW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128047
Cc1csc2nc(C)c(/C=c/3sc4nc(COc5ccccc5)nn4c3=O)n12	EMOLS-id_324844785	409.485	GAZVZDPUUZSTGC-NVNXTCNLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-128048
CCC1CN(C(CN1C)C)C(=O)N1Cc2c(C1=C)[nH]nc2NC(=O)c1ccccn1	PC-id_89229071	409.485	NHILRTDKENFUDJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128049
CC[C@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1=C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL14038556	409.485	NHILRTDKENFUDJ-ZFWWWQNUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128050
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1ccccc1	MCULE-6237547366	409.485	GAZVZDPUUZSTGC-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-128051
C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3ccnc(n3)C#N)n[nH]c2C1(C)C	PC-id_25155749,SCHEMBL3326561,BindingDB_PC-id_25155749,BindingDB-id_546050	409.488	AILQOERCUFVJMB-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-128052
Fc1ccc(c(c1)CS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)F	PC-id_92110054	409.493	VJDXVBVMEQEKEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128053
Fc1cc(cc(c1)F)CS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110055	409.493	FHMHKAVDUHGBFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128054
CCOC(=O)c1c(NC(=O)c2ccc(c3ccc(C)c(C)c3)o2)sc2c1CCC2	ZINC22_6892069,PC-id_3449499	409.498	UPDGZHLCVWEKSR-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-128055
O=C(Nc1nc2c(s1)CCC2)C1CCN(S(=O)(=O)c2ccccc2F)CC1	PC-id_24246066,ZINC22_15636754,MCULE-9556685814,CoCoCo_4164218,EMOLS-id_17207025	409.498	PJQRMUQSCQIIGK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128056
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1ccc(OC)cc1)C	PC-id_5233658	409.498	QZWHRNJOWYAIRB-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-128057
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2CCCc2n1)c1ccc(F)cc1	PC-id_16828944	409.498	SIAXDFVEDIDXQJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128058
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)N1CCOCC1)C)C(=O)OCC	PC-id_8711531	409.5	QMHDHYXXWKBCGH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128060
c1(c2CCCc2sc1NCc1ccccn1)C(=O)Nc1c(OC)ccc(OC)c1	TIMTEC483668,PC-id_1166841,EMOLS-id_2779866,ZINC22_920830,MCULE-3122831600,CoCoCo_6729390	409.501	UPCPVFOSJZKMOL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128061
c1(c2CCCc2sc1NCc1cccnc1)C(=O)Nc1ccc(cc1OC)OC	CoCoCo_345094,EMOLS-id_1476175,PC-id_1082679,ChEMBL-DNDi_CHEMBL7614785,MCULE-5804779347,BAS-06100817,ZINC22_798210	409.501	MFTOUALVUUXTEU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128062
c1(c2CCCc2sc1NCc1cccnc1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_1322282,ZINC22_1152172,CoCoCo_844070,MCULE-5224036674,EMOLS-id_1118486	409.501	CEKZODOBPUMQEX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128063
c1(c2CCCc2sc1NCc1ccncc1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_1319170,ZINC22_1148111,MCULE-1906509900,EMOLS-id_2461159,CoCoCo_948773	409.501	WRCNITZISDVDPB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128064
c1(NC(=O)c2ccc(cc2)c2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_4382337,ZINC22_4088606,CoCoCo_4982169,EMOLS-id_5438339,MCULE-6522683251	409.501	VVDONJQQTXPYMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128065
c1(NC(=O)C(=Cc2ccc(cc2)OCCCC)C#N)sc2c(CCC2)c1C(=O)N	PC-id_73552134,MCULE-4757439400	409.501	RYVXCBVWDGOSAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128066
Cc1nc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)sc1C(=O)O	EMOLS-id_328215166,MCULE-9485158987	409.501	FOCFHDLDYNVSMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128067
CCOC(=O)c1c(N/C=C/C(=NN(C2=O)c2ccc(C)cc2)C)sc2CCCc12	SPECS-id_AE-848/36199039,PC-id_6859567,ZINC22_103433367,EMOLS-id_45928238,CoCoCo_1721633	409.501	BEWQELAAOPSETJ-ATVHPVEESA-N	00000011100000110001100010000000000000000000000000000000	25-01-128068
CCOC(=O)c1c(N/C=C/2C(=NN(C2=O)c2ccc(C)cc2)C)sc2CCCc12	ZINC22_100604754,CoCoCo_1721632,PC-id_5437176,EMOLS-id_2434235	409.501	BEWQELAAOPSETJ-SFQUDFHCSA-N	00000011100000110001100010000000000000000000000000000000	25-01-128069
CCOC(=O)c1c(sc2c1CCC2)/N=C/c1c([nH]n(c1=O)c1ccc(cc1)C)C	PC-id_135437683	409.501	ZHKRGGBFOVPFCC-FSJBWODESA-N	00000010100000110001100010000000000000000000000000000000	25-01-128070
CCOC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1C	MCULE-4044689016,EMOLS-id_328221049	409.501	MJBJPDHFYDOPGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128071
CCOC(=O)Cc1csc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	MCULE-9604662692,EMOLS-id_328221556	409.501	GTRMHYDVVZNFAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128072
COc1ccccc1/C=C/1Sc2scc(CC(=O)Nc3ccccc3)[n+]2C1=O	PC-id_5904683,CoCoCo_5721561,ZINC22_16958314	409.501	LRADDFJRTSOYJF-WQRHYEAKSA-O	00000010100000110001000010000000000000000000000000000000	25-01-128073
COc1ccccc1/C=C
/Sc2scc(CC(=O)Nc3ccccc3)[n+]2C1=O	ZINC22_1636011,CoCoCo_5721560	409.501	LRADDFJRTSOYJF-WOJGMQOQSA-O	00000010100000110001000010000000000000000000000000000000	25-01-128074
COc1ccc(cc1)Cn1c(c2CCCc2c1SCC(=O)Nc1ccccn1)O	PC-id_91421977	409.501	OQFSYWPLJOKDON-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128075
N1(c2ccc(cc2)C)C(=O)C(=CNc2sc3c(CCC3)c2C(=O)OCC)C(=N1)C	PC-id_6790756,MCULE-9989736234	409.501	BEWQELAAOPSETJ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-128076
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccc(cc1)S(=O)(=O)N	MCULE-5993389685,EMOLS-id_328213620	409.501	PQDPEJCVRHTKDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128077
s1c2CCCc2cc1C(=O)NNC(=O)CCc1oc(c2cc(c(cc2)C)C)cn1	PC-id_43039950	409.501	KTTWKTPQANDLBA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128078
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(n(nc1C)c1ccc(cc1)C)C	PC-id_7238690	409.501	XPFFVSBFTZKQLR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128079
s1c2c(CCC2)c(c1N/C=c
/c(=C)[nH]n(c1=O)c1ccc(cc1)C)C(=O)OCC	PC-id_2174398	409.501	YKLIXVBYZGNKKN-ATVHPVEESA-N	00000010100000110001100010000000000000000000000000000000	25-01-128080
s1c2c(CCC2)c(c1NC=c1c(=C)[nH]n(c1=O)c1ccc(cc1)C)C(=O)OCC	PC-id_78263099	409.501	YKLIXVBYZGNKKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128081
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCCCC)cc1)/C#N)C(=O)N	PC-id_19175393	409.501	RYVXCBVWDGOSAU-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128082
S1c2scc([n+]2C(=O)C1=Cc1c(OC)cccc1)CC(=O)Nc1ccccc1	PC-id_376496	409.501	LRADDFJRTSOYJF-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-128083
Cc1ccccc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324823032	409.503	PESJUXMYZSKSTB-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128084
Cc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324824566	409.503	UFOVKHVRPYGOTB-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128085
Cc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324822008	409.503	ATKWQJGEWHOQFR-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128086
Cn1nc(CN(C2CCCC2)C(=O)N2CCN(C2=O)S(=O)(=O)C)c2CCCc12	PC-id_86266602,MCULE-6504829441,EMOLS-id_50145370	409.503	YKEJSPUIQCNUTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128087
n12c(=O)c(=Cc3ccccc3C)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-7410412204	409.503	PESJUXMYZSKSTB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128088
n12c(=O)c(=Cc3cccc(C)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-4796225804	409.503	ATKWQJGEWHOQFR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128089
n12c(=O)c(=Cc3ccc(C)cc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-7415160661	409.503	UFOVKHVRPYGOTB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128090
n12nc(nc1sc(=Cc1ccccc1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3286856597	409.503	SGIURJXPKQARTB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128091
O=c1n2nc(CC(c3ccccc3)c3ccccc3)nc2s/c/1=Cc1ccccc1	EMOLS-id_324829937	409.503	SGIURJXPKQARTB-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128092
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C(=O)N1CCN(CC1)C(=O)OCC	PC-id_7685585	409.503	ILEMEWFRIAFSGC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128093
Cc1ccc(cc1)n1nnc(c1C(C)C)C(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-8928068940,EMOLS-id_44130078,PC-id_45909089	409.505	KDVYLVFHRCAOEA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128094
CN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1cnn(c2ccccc2)c1	ZINC22_8157007,EMOLS-id_3685897,PC-id_9292418,CoCoCo_4234484,MCULE-6897938392,CoCoCo_4234485	409.505	WUKGZQJCGZQTSM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128095
s1c(NC(=O)c2ccc(C(C)C)cc2)c(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52714656	409.505	QNQAFWREAASVGW-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-128096
c1(sc2c(c1C#N)CCC2)NC(=O)CS(=O)CC(=O)Nc1sc(nn1)C	EMOLS-id_186633795,MCULE-4416239195	409.506	ZYHUQHAYEMLUJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128097
CC[C@@H]1N(Cc2ccc(cc2)C)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)F	SCHEMBL18368066	409.52	JDXSULITBRQODI-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-128098
CCOc1ccc(CCNC(=O)c2cc3CS(=O)(=O)Cc3s2)cc1OCC	CoCoCo_2175372,PC-id_20882733,EMOLS-id_16064925,ChEMBL-DNDi_CHEMBL1898023,MCULE-3570124571	409.52	OLNAVRXYUJGZKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128099
CCOC(=O)[C@@H]1CC[N@H+](CC1)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_40619656,GD-id_ZINC06497668	409.52	FDIDSKXUZXIAHP-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-128100
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C(=O)OCC)C(=O)OCC	PC-id_78589077	409.52	RHLPIXRLHPWVDL-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-128101
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C(=O)OCC)C(=O)OCC	PC-id_7986434	409.52	RHLPIXRLHPWVDL-ZDUSSCGKSA-O	00000010100010000000000010000000000000000000000000000000	25-01-128102
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C(=O)OCC)C(=O)OCC	PC-id_7986436	409.52	RHLPIXRLHPWVDL-CYBMUJFWSA-O	00000010100010000000000010000000000000000000000000000000	25-01-128103
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CCCc2ccccc2)(C(=O)OCC)C1	MCULE-3743656432,EMOLS-id_20689449,PC-id_45237949	409.521	AEMRUBXZZZDINF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128104
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5208969460,EMOLS-id_328339098	409.521	PNUZCSGQCIEJQS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128105
CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_42196639,ZINC22_11819345,CoCoCo_1554247,CoCoCo_1554249	409.521	AEMRUBXZZZDINF-DEOSSOPVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128106
CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_11819346,PC-id_42196640,CoCoCo_1554248,CoCoCo_1554250	409.521	AEMRUBXZZZDINF-XMMPIXPASA-N	00000010100010110001000010000000000000000000000000000000	25-01-128107
COc1cc(/C=C/C(=O)N(C2CCCC2)Cc2nn(c3c2CCC3)C)ccc1OC	PC-id_117054883	409.521	SHTOPEAITFHYHD-WYMLVPIESA-N	00000010100000110001000010000000000000000000000000000000	25-01-128108
COc1cc(C=CC(=O)N(C2CCCC2)Cc2nn(c3c2CCC3)C)ccc1OC	PC-id_92109792	409.521	SHTOPEAITFHYHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128109
O(CCCCN1CCN(C)CC1)C(=O)C1c2ccc(C(=O)c3ccccc3)n2CC1	PC-id_101838942,MCULE-4366787355	409.521	NSWPPANYUMWDIT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128110
O=C(NC1CCCCC1)C1N(C(=O)c2c1c(n(c2C)C)C)Cc1ccc(OC)cc1	PC-id_5213973	409.521	GHOKWHSVIRPOMS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128111
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(Sc2ccccc2)cccc1	PC-id_3970167	409.521	HKCAYFHEVBULOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128112
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1OC	PC-id_25674911,ZINC22_13019876,MCULE-8654030041,EMOLS-id_24135086,CoCoCo_4164301	409.523	CSNKHIVKGNVBEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128113
CCOS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN[C@H]2C(C)C	SCHEMBL19767320,PC-id_134166980	409.523	LOSFOKHYCZLYDQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128114
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)C(C)(C)C)C(=O)OCC	PC-id_55869596	409.523	PQKJKXTYFWPPRN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128115
CCc1cccc(OCc2nc3s/c(=Cc4ccc(SC)cc4)/c(=O)n3n2)c1	EMOLS-id_324888585	409.524	FVOGNXYJJWBBGN-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128116
CC(C1=CC=CC=C1)(C2=NNC3=C2CN(C3)S(=O)(=O)CC4=CC=CC=C4)C(=O)N	PC-id_153863892	410.141	VZFUQIUJZMEWET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128232
CCc1ccc(OCc2nc3s/c(=Cc4ccc(SC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324887552	409.524	XLGVKVOJGCKFKB-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128117
CCCCOc1ccccc1/C=c/1sc2nc(/C=C/c3cccs3)nn2c1=O	EMOLS-id_45970304,ZINC22_27022071	409.524	QNQSBDOUHPCRSL-MUUZYNTISA-N	00000000100100110001000010000000000000000000000000000000	25-01-128118
CCCCOc1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_16807448	409.524	DCDUIMHWVKGQAD-NJESZQPCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128119
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	ZINC22_27021937,EMOLS-id_45970254	409.524	DCDUIMHWVKGQAD-MUUZYNTISA-N	00000000100100110001000010000000000000000000000000000000	25-01-128120
CSc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324849911	409.524	LFGRRRZUYUABHH-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128121
CSc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324873224	409.524	BXDSRLKGFOTOJW-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128122
CSc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324875275	409.524	XPWUIUCPKFZREE-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128123
CSc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324881421	409.524	VKGTYLCXHACFSM-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128124
n12nc(nc1sc(=Cc1ccc(cc1)OCCCC)c2=O)C=Cc1cccs1	MCULE-3585044486	409.524	DCDUIMHWVKGQAD-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128125
n12nc(nc1sc(=Cc1ccccc1OCCCC)c2=O)C=Cc1cccs1	MCULE-4842388432	409.524	QNQSBDOUHPCRSL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128126
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)COc1c(C)cccc1C	MCULE-3542588365	409.524	BXDSRLKGFOTOJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128127
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)COc1cccc(C)c1C	MCULE-3661268677	409.524	XPWUIUCPKFZREE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128128
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)CCCOc1ccccc1	MCULE-9161065663	409.524	LFGRRRZUYUABHH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128129
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)COc1ccc(cc1)CC	MCULE-3670228288	409.524	XLGVKVOJGCKFKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128130
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)COc1cc(C)ccc1C	MCULE-7221809418	409.524	VKGTYLCXHACFSM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128131
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)COc1cccc(CC)c1	MCULE-3769819119	409.524	FVOGNXYJJWBBGN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128132
N#Cc1c(sc2c1CCC2)NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)c1ccccc1)C	GD-id_ZINC26341644	409.524	GOCDSTALWNKSQN-HNNXBMFYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-128133
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)C)C#N	PC-id_2656289	409.524	YPQSXIQZZGMCLO-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-128134
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(SC)ccc1	PC-id_16947155	409.524	AQMHSEPHZUFSNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128135
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(SC)cccc1	PC-id_16947097	409.524	ZQECQGSGPSGKQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128136
Cc1ccc(cc1)C(=O)NC1=Nc2c(C1)c(nn2C(C)(C)C)C(=O)NCC(C)(C)C	SCHEMBL14357127,PC-id_59001205	409.525	RAKJJCBZUAOTAX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-128137
O=C1N(CCN2CCN(CC2)c2ncccc2)C(=O)c2c1c(n(c2C)CCCC)C	PC-id_3073720	409.525	UWROCNCFBIYNMI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-128138
O=C(N1CC(CCC1)CCC(=O)N(CCc1ncccc1)C)c1n[nH]c2c1CCC2	Chemmine_31588,PC-id_45203872	409.525	XRRJHPYUSOAIGN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128139
O=C(N1C[C@@H](CCC1)CCC(=O)N(CCc1ncccc1)C)c1n[nH]c2c1CCC2	CoCoCo_1337008,PC-id_25286208,CoCoCo_1337006	409.525	XRRJHPYUSOAIGN-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128140
O=C(N1C[C@H](CCC1)CCC(=O)N(CCc1ncccc1)C)c1n[nH]c2c1CCC2	CoCoCo_1337009,PC-id_25286210,CoCoCo_1337007	409.525	XRRJHPYUSOAIGN-QGZVFWFLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128141
CCC(c1nnc(o1)SCC(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)C	EMOLS-id_3236578,MCULE-9625270255,PC-id_3347084	409.526	PNAQEGTXHKUCQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128142
CC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)o1)N(C)C	CoCoCo_2875550,ZINC22_2726058,PC-id_2161345	409.526	PNAQEGTXHKUCQG-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128143
CC[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)o1)N(C)C	PC-id_2161343,CoCoCo_2875549,ZINC22_2726057	409.526	PNAQEGTXHKUCQG-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-128144
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1C(C)(C)O	EMOLS-id_4089229,MCULE-9627621862,ZINC22_6605346,CoCoCo_6800605,TIMTEC542785,PC-id_3298069	409.526	XDJGHTGXAQTCLT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128145
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(CCCC)c(=O)[nH]n1)C)C(=O)N	PC-id_8574363	409.526	GGYHILLJXYBSRZ-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-128146
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(CCCC)c(=O)[nH]n1)C)C(=O)N	PC-id_8574368	409.526	GGYHILLJXYBSRZ-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128147
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(CCCC)c(=O)[nH]n1)C)C(=O)N	PC-id_78727528	409.526	GGYHILLJXYBSRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128148
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)C(C)(C)C)C(=O)OCC	PC-id_27046029	409.526	DHBWKFFPQNXBQC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128149
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)CC(C)C)C(=O)OCC	PC-id_36795119	409.526	LVOSCADKKSXRRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128150
CCc1ccc(c2n[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1	CoCoCo_3149843,EMOLS-id_43793027,MCULE-3585682569,CoCoCo_3149844,ZINC22_5178896,CoCoCo_3149842,CoCoCo_3149845,PC-id_7538012	409.528	JCMOZGPNFBFMDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128151
s1c2CCCc2c(c1NC(=O)CSc1n(c2cc(ccc2)C)c(nn1)C)C#N	PC-id_16514195	409.528	CYULWXUJBAPSBR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128152
s1c2CCCc2c(c1NC(=O)CSc1n(c2ccc(cc2)C)c(nn1)C)C#N	PC-id_16538089	409.528	FLHIPTSGQBSCAD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128153
s1c2CCCc2c(c1NC(=O)CSc1n(Cc2ccccc2)c(nn1)C)C#N	PC-id_7988899	409.528	MJXBYLNDZCWGRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128154
s1c2CCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1ccccc1)C#N	PC-id_7625442	409.528	YUKLCCOYDRFBEE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128155
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)C)C#N	PC-id_16518645	409.528	XGRXOUUDVNYVHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128156
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)C)C#N	PC-id_7814924	409.528	VUDRMGWSAQYCBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128157
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CC)c1ccccc1)C#N	PC-id_17137240	409.528	QERUVAABAHDJEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128158
CCOC(=O)c1c(NC(=O)CCNCCCN2CCOCC2)sc2c1CCC2	CoCoCo_4651772,PC-id_3862665	409.543	FMKUAJGASHZBKM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128159
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NC(C)(C)C)CC)C(=O)OCC	PC-id_8796618	409.543	JDFSWKQFQBRLRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128160
c1(CN(Cc2ccco2)C(=O)C2(CCCC2)c2cccs2)c2CCCc2n(C)n1	EMOLS-id_50145246,PC-id_86266536,MCULE-1091370598	409.544	KWLNXAZXEKPAJV-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-128161
COc1ccc(cc1)C1CCCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_16343452,EMOLS-id_11786939,MCULE-1752824572	409.544	ILOFMNDAEQPKSI-UHFFFAOYSA-N	00000010100000110100100010000000000000000000000000000000	25-01-128162
COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2sc3c(c2C#N)CCC3)cc1	CoCoCo_4243740,CoCoCo_4243741,ZINC22_8325437,PC-id_9450889	409.544	ILOFMNDAEQPKSI-FQEVSTJZSA-N	00000010100000110100100010000000000000000000000000000000	25-01-128163
COc1ccc([C@H]2CCCCCN2CC(=O)Nc2sc3c(c2C#N)CCC3)cc1	PC-id_9450891,ZINC22_8325441,CoCoCo_4243743,CoCoCo_4243742	409.544	ILOFMNDAEQPKSI-HXUWFJFHSA-N	00000010100000110100100010000000000000000000000000000000	25-01-128164
N#Cc1c(NC(=O)CCN2CCCC(C2)COc2ccccc2)sc2c1CCC2	PC-id_86972265	409.544	FAXDKGBQVSWVIU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128165
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)c1ccc(OCC)cc1)C#N	PC-id_55499903	409.544	RGKPUQPEDRYQCR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128166
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCCC1=CCCCC1	PC-id_16947528	409.544	XTWNNPQMIFATMB-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-128167
c1(NC(=S)NNC(=O)c2csc(C)c2C)sc2c(CCC2)c1C(=O)OC	CoCoCo_6797542,PC-id_4508311,MCULE-1059874928,EMOLS-id_4089285,TIMTEC561817	409.546	XYPWJSMAPNFNAI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-128168
c1(NC(=S)NNC(=O)c2csc(CC)c2)sc2c(CCC2)c1C(=O)OC	MCULE-6191705076,PC-id_4508313,CoCoCo_6797544,EMOLS-id_4089277,TIMTEC200620	409.546	HRVRYEMYAPGAIQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-128169
Cc1noc(C)c1c1ccc(s1)S(=O)(=O)NCCc1nc2CCCc2s1	EMOLS-id_316274519,ZINC22_1506427724,MCULE-2347520108	409.546	MWYGUYPVZNYFKT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-128170
S1(=O)(=O)C[C@H]([NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)CC1	PC-id_51619935	409.546	QQAJFWRURHYEBH-CYBMUJFWSA-O	00000010100010000001100010000000000000000000000000000000	25-01-128171
S1(=O)(=O)C[C@@H]([NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)CC1	PC-id_51619937	409.546	QQAJFWRURHYEBH-ZDUSSCGKSA-O	00000010100010000001100010000000000000000000000000000000	25-01-128172
S1(=O)(=O)CC([NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)CC1	PC-id_75687484	409.546	QQAJFWRURHYEBH-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-128173
O=C(c1cc(nn1C)c1cccs1)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109894	409.548	OLBUFIZSAZFULY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-128174
O=C(c1sc(nc1C)n1cccc1)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109675	409.548	RBALHVUFUOXPCB-UHFFFAOYSA-N	00000010110000000001100010000000000000000000000000000000	25-01-128175
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1sc(NC2CC2)nn1)C)C(=O)N	PC-id_8973150	409.549	PTLZFUCNCOCHRI-ZETCQYMHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-128176
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1sc(NC2CC2)nn1)C)C(=O)N	PC-id_8973161	409.549	PTLZFUCNCOCHRI-SSDOTTSWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-128177
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1sc(NCC=C)nn1)C)C(=O)N	PC-id_8573920	409.549	WPCIEFUGCWWSGC-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128178
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1sc(NCC=C)nn1)C)C(=O)N	PC-id_8573925	409.549	WPCIEFUGCWWSGC-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128179
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC2CC2)nn1)C)C(=O)N	PC-id_84886796	409.549	PTLZFUCNCOCHRI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-128180
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NCC=C)nn1)C)C(=O)N	PC-id_78727462	409.549	WPCIEFUGCWWSGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128181
CCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)CC	SCHEMBL11604814,PC-id_20351596	409.561	QKLUEQUUYRKXKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128182
CCCCCOc1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109968	409.564	SMKJMRUXCOOWGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128183
c1(NC(=S)NNC(=O)CCC2CCCCC2)sc2c(CCC2)c1C(=O)OC	TIMTEC134277,PC-id_4508442,EMOLS-id_4089309,MCULE-8158966016,CoCoCo_6797561	409.566	DVOCPUCWGJWGHH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-128184
s1c2c(CCC2)c(c1NC(=O)CCN1CC[NH+](CC1)Cc1c(cccc1)C)C#N	PC-id_52222039	409.568	IFVRVULRSXKYBL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-128185
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)Cc1cc(ccc1)C)C#N	PC-id_52222350	409.568	ZHRAIPXRCJMFSO-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-128186
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(N2CCCCC2)cc1)C)C#N	PC-id_9295807	409.568	MAHMWZPVESJPLB-UHFFFAOYSA-O	00000010100010110000100010000000000000000000000000000000	25-01-128187
CC/C(=C/C(=C)c1cc(C)c(c(c1)C)C)/N(CC(=O)N1Cc2c(C1)nc(s2)C)C	PC-id_145588044	409.587	YSUKTKCOEYMIRX-NHDPSOOVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128188
c12C(C)(C)N(C(=O)Cl)Cc1c(NC(=O)c1ccc(F)cn1)nn2C(=O)OCC	EMOLS-id_177877005,MCULE-6435781461	409.799	OEUQLTPSVVRLKE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-128189
CC(Oc1cc(N=c2sc(=O)n3n2CC(C3)OC(F)F)c(cc1Cl)F)C	SCHEMBL9410027	409.811	CZEPZFWQMWYUAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128190
CC(Oc1cc(/N=c/sc(=O)n3n2CC(C3)OC(F)F)c(cc1Cl)F)C	SCHEMBL9410074	409.811	CZEPZFWQMWYUAY-XSFVSMFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128191
Clc1c(OC(C)C)cc(/N=c/2sc(=O)n3n2CC(OC(F)F)C3)c(F)c1	PC-id_67845065	409.811	CZEPZFWQMWYUAY-ZHZULCJRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128192
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	PC-id_68439852,SCHEMBL2916137	409.826	CAMPQULBNSAHGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128193
Clc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NC(=O)c1ccccc1	PC-id_68440480,SCHEMBL2917981	409.826	CEAYJJBULUGXLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128194
Clc1c(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)NC(=O)c2ccccc2)cccc1	SCHEMBL2922637,PC-id_68442073	409.826	IFTQAUABCKTWIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128195
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(O)cc1	PC-id_45691181	409.841	MRDCJYGHDAMTJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128196
Clc1cc(O)c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24383947	409.841	VEMSYPDXZVWYHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128197
CCOC(=O)Cn1nc(c2c1C(C)(C)N(C2)C(=O)Cl)Nc1nc(C)ccc1F	SCHEMBL19200732	409.842	AQOZNJSCDTXBIW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-128198
Clc1c([N+](=O)[O-])cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24406519	409.844	CXAVISNKMGDLES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128199
Clc1c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc([N+](=O)[O-])c1	PC-id_84883166	409.844	RPWONUVFULOQQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128200
Clc1c(O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc([N+](=O)[O-])c1	PC-id_8956901	409.844	RPWONUVFULOQQC-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128201
Clc1c(O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc([N+](=O)[O-])c1	PC-id_8956903	409.844	RPWONUVFULOQQC-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128202
c1(NC(=O)NN=Cc2c(cccc2F)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-3543185765,PC-id_73551075	409.862	CKJFUOSPFOPOEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128203
Clc1c(/C=N/NC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(F)ccc1	PC-id_19172576	409.862	CKJFUOSPFOPOEY-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128204
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)Cc1cccc(Cl)c1	MCULE-4016330367,EMOLS-id_207863273	409.869	ASXYVPRUDJUEFJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-128205
Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1onc2CCCc12	ZINC22_8976507,EMOLS-id_12336703,MCULE-8792521116,PC-id_16802454,CoCoCo_5123871	409.887	HPGXACCCUVDOFI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128206
CCOc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_27022605	409.889	AQMOWQAKYURMEE-HEMGCLFMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128207
CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_45964733,ZINC22_16734946	409.889	AQMOWQAKYURMEE-KTYKIUSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128208
n12nc(nc1sc(=Cc1ccccc1OCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-6431375231	409.889	AQMOWQAKYURMEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128209
Clc1c(CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(F)ccc1	PC-id_24506943	409.905	WMYDCICVHOTAKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128210
Clc1c(CN([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(F)ccc1	PC-id_29681749	409.905	WMYDCICVHOTAKF-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128211
Clc1c(CN([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(F)ccc1	PC-id_29681753	409.905	WMYDCICVHOTAKF-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-128212
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)Cl)NC(=O)C3(CCC3)[Si](C)(C)C	PC-id_147207181	410.154	CEMNZPIFIMSHHK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-128233
c1(NC(=O)c2c(Cl)cnc(SCC=C)n2)sc2c(CCC2)c1C(=O)OC	CoCoCo_2237424,MCULE-5311649656,ZINC22_6748089,TIMTEC476897,PC-id_16445982,EMOLS-id_9859470,ChEMBL-DNDi_CHEMBLD233-0622	409.91	UHOKASKDFMBXAQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-128213
c1(NC(=S)NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)N	CoCoCo_6282464,MCULE-9299353036,ZINC22_2052476,EMOLS-id_4089503,TIMTEC358565,SPECS-id_AN-153/I259617,SPECS-id_AG-670/41728554,PC-id_1718386,SPECS-id_AM-879/J184204	409.91	OLQNBVICIDNKOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128214
c1(NC(=S)NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	ZINC22_6883401,MCULE-1842919561,PC-id_4505184,TIMTEC35152	409.91	AFTBCJVFPYLPJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128215
c1(NC(=S)NNC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OC	CoCoCo_6797557,TIMTEC236565,MCULE-7754884715,PC-id_4508439,EMOLS-id_4089511	409.91	JFXXVAZECXPLKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128216
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1Cl	ZINC22_6736714,PC-id_4504705	409.91	LYDSHGONVLBJCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128217
NC(=O)c1c(NC(=S)NC(=O)COc2ccccc2Cl)sc2c1CCC2	PC-id_4505403,ZINC22_6884643	409.91	FNWCKQCWYGNDEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128218
c1(NC(=O)C(C)Sc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_5097832,MCULE-9967893168,EMOLS-id_5479857	409.95	IMTBSFUQEUZKCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128219
CCOC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCC2	ZINC22_5191816,PC-id_7545693	409.95	VRFXPWNSVDDQMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128220
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2	CoCoCo_5021934,ZINC22_4263100,PC-id_7157579	409.95	IMTBSFUQEUZKCV-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128221
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2	PC-id_7157580,CoCoCo_5021935,ZINC22_4263101	409.95	IMTBSFUQEUZKCV-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-128222
CCOC(=O)c1c(NC(=O)CSCc2ccccc2Cl)sc2c1CCC2	ZINC22_408578435	409.95	UNNSKMOVSSNMLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128223
CCOC(=O)c1c(NC(=O)CSCc2cccc(Cl)c2)sc2c1CCC2	ZINC22_20242017	409.95	UFVYJEIHYRQNNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128224
CCOC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2)sc2c1CCC2	ZINC22_58824486	409.95	OAHHLLOZRHBPNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128225
Clc1ccc(SCCCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_41272303	409.95	VRGHAZIRRDYHSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128226
C=CCN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1ccc(Cl)s1	CoCoCo_3687706,CoCoCo_3687707,MCULE-4883092119,EMOLS-id_11796946,ZINC22_8164305,PC-id_9298552	409.953	BJKCELUDLKRTCZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-128227
Clc1c(CC(P(=C)(C)C)C)cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C	PC-id_59933064	409.956	OXSJWUSXOPVJBA-QOCHGBHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128228
Clc1ccc(c(c1)I)NC1CCc2c1cc(s2)Cl	PC-id_113983317	410.101	MLTGKIIQSFQZCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128229
Ic1cc(Cl)c(NC2CCc3sc(Cl)cc23)cc1	PC-id_81251414	410.101	FFUFQXZBONOADA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128230
CC(NCCCN1C(=O)c2c(C1=O)c(sc2Br)Br)C	PC-id_140257049	410.125	VNOYZZOISFVINE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128231
Brc1c2n(CCC2(C(=O)O)C(=O)O)c(c1C)C(=O)c1ccc(F)cc1	PC-id_20526409,SCHEMBL11266373	410.191	FUXJIIDHXBTCHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128234
C[C@@H](C(=O)CCC1=CC2=C(S1)CNC2)NC(=O)[C@@H]3CC[C@H](C3)CC4=CC=CC=C4	PC-id_160491385	410.203	QQOREPUIORGJRJ-YTQUADARSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128235
CC1(Cn2c(nc(n2)Br)S1)COc1ccc(cc1)OC(F)(F)F	PC-id_137651683	410.21	AOLIECSILYWGQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128236
CC(C(=O)NCc1nn(C)c(Cl)c1Cl)n1nc(c2CCCc12)C(F)(F)F	PC-id_19591078,EMOLS-id_8867661,MCULE-8273565230	410.222	DHEUEVCMDGYSMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128237
Clc1c(nn(c1Cl)C)CNC(=O)[C@@H](n1nc(c2c1CCC2)C(F)(F)F)C	PC-id_51853245	410.222	DHEUEVCMDGYSMV-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128238
Clc1c(nn(c1Cl)C)CNC(=O)[C@H](n1nc(c2c1CCC2)C(F)(F)F)C	PC-id_51853246	410.222	DHEUEVCMDGYSMV-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128239
NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)sc2c1CCC2	PC-id_4503986,ZINC22_6861888	410.242	IWEAURTWKANUPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128240
c12sc(NC(=O)Cn3c(C)c(Br)c(N(=O)=O)n3)c(C#N)c1CCC2	TIMTEC332168,PC-id_1509847,ZINC22_1430026,ChEMBL-DNDi_CHEMBL7976405,EMOLS-id_2011226,CoCoCo_567234,MCULE-8249653419	410.246	NICDWCCHIPPXEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128241
CCOC(=O)c1cccc(c1)C(=O)c1c(Cl)c(c2n1CCC2C(=O)OC)Cl	SCHEMBL11006765,PC-id_20405031	410.248	TVMGKFNVHBKXIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128242
Clc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1C)C(=O)c1ccc(Cl)cc1	SCHEMBL11045225,PC-id_54446676	410.248	WRZUBGIIRSMTJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128243
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2)I)n1	EMOLS-id_330998000,MCULE-6141795418	410.249	ZJNZMZWKDJGMEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128244
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccccc2I)n1	EMOLS-id_330998512,MCULE-5294177170	410.249	BDPSYKYZIFFGKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128245
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cccc(I)c2)n1	MCULE-4190839569,EMOLS-id_330998256	410.249	XUBOVPYKUNSWHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128246
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccccc1I	EMOLS-id_330979259,MCULE-9824422242	410.249	WGMCAPSTWIXBSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128247
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1)I	MCULE-8066525016,EMOLS-id_330978747	410.249	AOQXADIPZKVVQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128248
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cccc(I)c1	MCULE-3455979145,EMOLS-id_330979003	410.249	PKNXLANPQMZPQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128249
CC(c1ccc(OC(=O)C)cc1)n1nc2CCC(C)c2c1I	MCULE-5180026952,EMOLS-id_330963388	410.249	XVSZWYHARNLVDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128250
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)c1ccc(cc1)Br	PC-id_139746967	410.261	AOMZJENYOCPPOM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128251
Brc1oc(C(=O)NCC(=O)NC(c2n3CCCc3nn2)C(C)C)cc1	MCULE-3964768520,PC-id_72108482,EMOLS-id_42923049	410.266	UVULWZYBNJMPSD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-128252
CC(C)[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1nnc2n1CCC2	ZINC22_72311465,PC-id_95787734	410.266	UVULWZYBNJMPSD-AWEZNQCLSA-N	00000010101000000001000010000000000000000000000000000000	25-01-128253
CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1nnc2n1CCC2	ZINC22_72311466,PC-id_95787735	410.266	UVULWZYBNJMPSD-CQSZACIVSA-N	00000010101000000001000010000000000000000000000000000000	25-01-128254
Clc1c(N)c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc(Cl)c1	PC-id_16539441	410.274	XJJBGRMKOZPQBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128255
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)OC)cc2S(=O)C)cc1	PC-id_13687518,SCHEMBL10811823	410.282	RISXZFLWDJTRMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128256
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OC)cc1	PC-id_17094224	410.282	GAEYKBXMOXENDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128257
Brc1c(n2CCC(c2c1)C(=O)OC)C(=O)c1ccc(S(=O)C)cc1	PC-id_20528104,SCHEMBL10933008	410.282	OODSYMFLNVGLIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128258
BrOC(=O)c1c(n2c(C(CC2)C)c1)C(=O)c1ccc(S(=O)C)cc1	PC-id_54231158	410.282	QJIWPNFUBCXIIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128259
c1(cccc(Br)c1O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-1440410742,EMOLS-id_328220517	410.282	FJUUYFKVKJFMLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128260
c1(NC(=O)COc2cccc(Br)c2)sc2c(CCC2)c1C(=O)OC	MCULE-3159584777,PC-id_1666536	410.282	FOINNTRYICLLOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128261
c1(NC(=O)COc2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OC	CoCoCo_723936,MCULE-2812087551,Chemmine_7563,EMOLS-id_1859375,SPECS-id_AF-399/13428274,ZINC22_4038612,PC-id_2789289	410.282	CBKVYKSXANXZKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128262
c1(NC(=O)COc2ccccc2Br)sc2c(CCC2)c1C(=O)OC	ZINC22_1768753,EMOLS-id_1128840,ChEMBL-DNDi_CHEMBL3643-3462,MCULE-4272461244,PC-id_1561571,CoCoCo_1750752	410.282	OEAMACTVHQMBNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128263
COc1cc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc(Br)c1O	EMOLS-id_324859617	410.286	QXTOZKFTHOGDPG-GHXNOFRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128264
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc(Br)c1O	EMOLS-id_324853476	410.286	OKWWKXSWTHVFRH-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128265
n12c(=O)c(=Cc3cc(c(O)c(Br)c3)OC)sc1nc(C(C)(C)C)n2	MCULE-7685784927	410.286	OKWWKXSWTHVFRH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128266
n12nc(nc1sc(=Cc1cc(c(O)c(Br)c1)OC)c2=O)CC(C)C	MCULE-3837008941	410.286	QXTOZKFTHOGDPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128267
Brc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_45970194,ZINC22_27021796	410.287	SCFMQQXXOOHOMW-ZBUTWXCBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128268
Brc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_27021787,EMOLS-id_45970190	410.287	RCMYFBHZARMUHS-NJAVVXAXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128269
Brc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_27021791,EMOLS-id_45970192	410.287	PDMYSJMWZNQHBR-KDNHCMJDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128270
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)C=Cc1ccccc1	MCULE-2425888978	410.287	PDMYSJMWZNQHBR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128271
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)C=Cc1ccccc1	MCULE-4730403950	410.287	RCMYFBHZARMUHS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128272
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)C=Cc1ccccc1	MCULE-6188680582	410.287	SCFMQQXXOOHOMW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128273
CCCN(CCC)Cc1nnc2n1N=C(C2=Nc1c(nc(cc1)N(CC)CC)C)C	PC-id_163572181	410.291	GAIKPXVVYQZIKC-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-128274
CC(C)Oc1ccc(cc1)C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330963644,MCULE-4549514421	410.292	WWYUKAHVHMYINU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128275
CCCOc1ccc(cc1)C(C)n1nc2CCC(C)c2c1I	MCULE-7232585138,EMOLS-id_330964156	410.292	DMAFWDOQADQNKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128276
COc1cc(C)c(C)cc1C(C)n1nc2CCC(C)c2c1I	MCULE-5445748296,EMOLS-id_330966960	410.292	HJNTVGKXQJWFOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128277
Clc1ccc(OCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324846841	410.298	AXWJZMKPJQUDOU-ACAGNQJTSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128278
n12nc(nc1sc(=Cc1ccsc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-1390855129	410.298	AXWJZMKPJQUDOU-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128279
C1Cc2c(n(c(=O)n2C1)CCCCNCCOc1cc(ccc1)Br)O	PC-id_90877168	410.305	JYWBLTVZKUPAMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128280
C1Cc2c(n(c(=O)n2C1)CCCCNCCOc1ccccc1Br)O	PC-id_91096892	410.305	MHLSNSWULBRMKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128281
FC(Oc1ccc(cc1)c1nnn(c1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	SCHEMBL19518599	410.307	CFVRTQRLZXNIKX-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128282
FC(Oc1ccc(cc1)c1nnn(c1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	SCHEMBL19518618	410.307	CFVRTQRLZXNIKX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128283
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_3617177,MCULE-8480152199	410.314	ZRKIFZVLMYZONI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128284
c1(NC(=O)C=Cc2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_4604004,MCULE-8278582552	410.314	IZVXLYQAKHLURK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128285
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-5368819665,PC-id_4193664	410.314	FFAYBIZAQHHZGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128286
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2	ZINC22_1903995,PC-id_1637780	410.314	ZRKIFZVLMYZONI-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128287
Clc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1Cl	PC-id_1663538	410.314	FFAYBIZAQHHZGJ-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128288
Clc1c(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_1666054	410.314	IZVXLYQAKHLURK-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128289
Brc1cc(sc1)C(=O)c1n2c(C(CC2)C(=O)OCCC(C)C)cc1	SCHEMBL11657673,PC-id_20356112	410.325	YGQHDSLAWKZJNA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-128290
COc1cc(OC)c(cc1C(=O)N1Cc2c(C1)cc(s2)Br)C(C)C	PC-id_141750758	410.325	OWLGIJZXHAIXAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128291
COc1ccc(c(c1)C(=O)Nc1c2CSCc2nn1C(C)(C)C)Br	PC-id_121030659	410.329	QSCYFEMIQDBEIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128292
c1(c(C)nc(c2c(cccc2Cl)Cl)s1)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323331099,MCULE-8192791686	410.341	YJGKNPQPWFZORV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128293
c1(NC(=O)Cc2csc(c3cccc(Cl)c3Cl)n2)sc2c(CCC2)n1	MCULE-3157952020,EMOLS-id_320489287	410.341	ZOTHVUKEYXBWOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128294
c1(scc(CC(=O)Nc2sc3c(CCC3)n2)n1)c1c(cccc1Cl)Cl	EMOLS-id_320491590,MCULE-7128426717	410.341	QXSILPYBWAZZNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128295
Brc1sc(CN(CC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_9299655	410.352	ROUAPXCJVXXPEA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-128296
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1)C#N	PC-id_8661617	410.367	LGJGCVOELWULFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128297
c1(NC(=O)COc2cccnc2NC(=O)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_321803134,MCULE-8803836549	410.37	VUILAYYKNAWCPV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-128298
CC[N+]1(c2c(C(=N1)NC(=O)c1cc(cc(c1)F)F)sc(c2)C(=O)OC)C(=O)O	PC-id_91009373	410.372	WZNMTDMWTVUPSL-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-128299
FC(F)(F)c1ccc(C2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69480539,SCHEMBL5539436	410.39	YRFKZQBZGGNGAJ-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128300
FC(F)(F)c1ccc(C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5539438,PC-id_69480540	410.39	YRFKZQBZGGNGAJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128301
NC(=O)c1c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)sc2c1CCC2	PC-id_7701263,MCULE-6611789196,EMOLS-id_33965601,ZINC22_5467606	410.392	PRESLFXSIPTHPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128302
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OC(F)F)cc1)C(=O)N	PC-id_4028287	410.392	WCOHYFOXBOCKHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128303
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC(F)F)cccc1)C(=O)N	PC-id_2691686	410.392	VFXDGPWTLHVENL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128304
O=C1NC(n2ncc([N+]#[C-])c2NN=C2C(=Nn3c2nnc3C)C(C)(C)C)NC(=O)N1	PC-id_76663824	410.393	LZZSXPZREQMXTP-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-128305
O=C(C(=O)c1n2CCCc2c(c1C)C(=O)O)NC1(CC(C1)(F)F)c1scnn1	PC-id_139434854,SCHEMBL21296688	410.395	BSFZMPIKCDHGSH-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-128306
COc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324834042	410.403	KUPNMSNYUDVNPC-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128307
COc1ccccc1OCc1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324866572	410.403	HCZHQINFCNSUKG-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128308
COc1ccccc1OCc1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324871681	410.403	QOTLXRXHAQWIAS-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128309
COc1ccccc1OCc1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324871684	410.403	BYGFOJHVIRTABZ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128310
COc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324872718	410.403	CAOYTJQQMAAEHM-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128311
COc1cccc(OCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324877827	410.403	UVOMMYYCYIVNPU-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128312
COc1cccc(OCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324877830	410.403	ZMQKLMBAVDUBGC-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128313
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1ccccc1OC	MCULE-1118062379	410.403	BYGFOJHVIRTABZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128314
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1ccccc1OC	MCULE-5239929820	410.403	QOTLXRXHAQWIAS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128315
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1ccccc1OC	MCULE-9601309335	410.403	HCZHQINFCNSUKG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128316
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1cccc(OC)c1	MCULE-5299937314	410.403	UVOMMYYCYIVNPU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128317
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1cccc(OC)c1	MCULE-6966146115	410.403	CAOYTJQQMAAEHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128318
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1cccc(OC)c1	MCULE-9667728239	410.403	ZMQKLMBAVDUBGC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128319
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)Cc1ccccc1	MCULE-5994972359	410.403	KUPNMSNYUDVNPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128320
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2scc(c3cn(nc3C)C)n2)n1	EMOLS-id_8867199,MCULE-3100149674,PC-id_19590857,ZINC22_20607507	410.417	URKIVNJKRFRXAG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-128321
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2scc(c3cnn(C)c3C)n2)n1	MCULE-6452472804,PC-id_19590854,ZINC22_20607502,EMOLS-id_8867193,TIMTEC202659	410.417	HUCZRMGWIYYJNC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-128322
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2scc(n2)c2cnn(CC)c2)n1	EMOLS-id_8867876,PC-id_19591169,ZINC22_20607505,MCULE-2897237830	410.417	SQQKLJQWPDVORB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-128323
Fc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccccc4)c3C2)(C)C)c(F)ccc1	SCHEMBL3485962,PC-id_24948257	410.417	RGABOXBULLKUTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128324
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)F)c2=O)C	MCULE-8418105069	410.422	WVUGQSSWAZTLQZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128325
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)c1noc(C)c1COC	EMOLS-id_207863170,MCULE-4988053133	410.426	SUYRKBDGMDAGHT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-128326
Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F	BindingDB_PC-id_54483869,PC-id_54483869	410.433	XQXOHKXFRRASHC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128327
Cc1cc(C)c(c(c1)Br)NS(C1C(=C(c2c1scc2)C)C)(C)C	PC-id_143486606	410.435	KHAPWOHNDMKTLT-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-128328
s1c2c(CCC2)c(c1NC(=O)CNc1cc(F)c(OC)c(F)c1)C(=O)OCC	PC-id_55919110	410.435	GEPISGJJZTZMEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128329
s1c2c(CCC2)c(c1NC(=O)CNc1c(OC(F)F)cccc1)C(=O)OCC	PC-id_24406543	410.435	OOXGBVLJHRMREX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128330
CCNC(=NCc1ccc(cc1)COCC(F)(F)F)NCc1nnc2n1CCC2	PC-id_111020575	410.437	MIBFXPKGIICLNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128331
CCNC(=NCc1ccc(cc1OCC(F)(F)F)C)NCc1nnc2n1CCC2	PC-id_109607982	410.437	XWIZCMHMTQWTCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128332
COc1ccc(cc1Oc1cc(F)cc(CN)c1)C(=O)NCc1n[nH]c2CCCc12	EMOLS-id_324005170,ZINC22_1857683851,PC-id_145928721,MCULE-7003718599	410.441	OOYXWRNNDNMDTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128333
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccccc1)C#N)C(=O)OC	MCULE-3126300979,PC-id_16411713	410.443	ORZRKPHIBQSETJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128334
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)Oc1ccccc1	PC-id_89237772,SCHEMBL14056422	410.443	WESDNXFYXUTWEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128335
COC(=O)C1CCc2sc(NC(=O)/C(=Cc3ccccc3)/C#N)c(C(=O)OC)c12	EMOLS-id_26279979,STOCK2S-60116	410.443	ORZRKPHIBQSETJ-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128336
COC(=O)C1CCc2sc(NC(=O)/C(=C/c3ccccc3)/C#N)c(C(=O)OC)c12	EMOLS-id_26501279,CHEMBL1531095,PC-id_5710713,ChemDIV3643-3301	410.443	ORZRKPHIBQSETJ-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128337
N#C/C(=C/c1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC	CoCoCo_1750721	410.443	ORZRKPHIBQSETJ-QLKUMGTLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128338
N#C/C(=C/c1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC	CoCoCo_1750722	410.443	ORZRKPHIBQSETJ-ZVHGMHCTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128339
N#C/C(=Cc1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC	CoCoCo_1750723,PC-id_1182939	410.443	ORZRKPHIBQSETJ-UELRPHRMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128340
N#C/C(=Cc1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC	PC-id_1182937,CoCoCo_1750720	410.443	ORZRKPHIBQSETJ-JWAFFJSPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128341
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OC(=O)c2occc2)cc1	PC-id_85015578	410.443	ZQZBFNXZLSETKU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128342
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(c1ccccc1)C(=O)N	PC-id_18135359	410.443	YILZCHGJHHDAQG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128343
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1occc1c1ccccc1)C(=O)N	PC-id_46640935	410.443	DDLJOHCWCCCDCO-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-128344
s1c2c([C@@H](CC2)C(=O)OC)c(c1NC(=O)C(=Cc1ccccc1)C#N)C(=O)OC	PC-id_1561523	410.443	ORZRKPHIBQSETJ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128345
s1c2c([C@H](CC2)C(=O)OC)c(c1NC(=O)C(=Cc1ccccc1)C#N)C(=O)OC	PC-id_1561525	410.443	ORZRKPHIBQSETJ-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128346
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]nc(c2ccccc2)c1)C(=O)N	PC-id_40661162	410.446	WGDLAXYHONLCLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128347
FC(Oc1ccc(cc1)C[N@H+](CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C)F	PC-id_9024205,GD-id_ZINC07902161	410.458	HSSYEQSBFDJAFA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-128348
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccc(cc1)OC	ChEMBL-DNDi_CHEMBL4488-1489,MCULE-7220881754,PC-id_1367117,CoCoCo_700186,EMOLS-id_2373477,ZINC22_1212532	410.461	SHPREHUAFZWHTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128349
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccccc1OC	CoCoCo_699914,PC-id_1366972,EMOLS-id_2373371,ZINC22_1212331,MCULE-5664358597,ChEMBL-DNDi_CHEMBL3759-1363	410.461	RNTHMRCGIKNWFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128350
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8185727306	410.461	NLGLEDYEHUOFRO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128351
c1(NC(=O)C=Cc2cccc(F)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1299809444	410.461	PEJKACJSFGSBOI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128352
COc1cccc(c1)CNC(=O)c1sc2c(c1)N(CC2)C(=O)c1ccc(cc1)F	PC-id_97407189	410.461	HPQGUTVXGIKTEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128353
COc1ccc(NC(=O)c2c(NC(=O)c3ccc(F)cc3)sc3c2CCC3)cc1	EMOLS-id_2998080,MCULE-3463487697,ZINC22_3238244,CoCoCo_3762696,PC-id_2355988	410.461	CBCVRQGTGVLZDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128354
Fc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c1	EMOLS-id_334340772	410.461	PEJKACJSFGSBOI-MDZDMXLPSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128355
Fc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334337704	410.461	NLGLEDYEHUOFRO-DHZHZOJOSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128356
NC(=O)c1c(NC(=O)c2ccccc2OCc2ccc(F)cc2)sc2c1CCC2	ZINC22_2660215,EMOLS-id_3234557,MCULE-5145059515,PC-id_2124065,CoCoCo_3218645	410.461	DTUHCVXPYCBNTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128357
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OCc2ccc(F)cc2)cccc1	PC-id_27684470	410.461	BFNGQCUADQKAEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128358
CCOc1ccc(cc1)C=CC(=O)NS(=O)(=O)c1[nH]cc2c1CCS2(=O)=O	EMOLS-id_303184652,MCULE-2274767763	410.465	TVSIOKSFKBPCPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128359
CCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)cc1	ZINC22_252500811,PC-id_119052473	410.465	TVSIOKSFKBPCPH-VMPITWQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128360
CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_408613811	410.465	YHHPSXGLELLSIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128361
COc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(sc2)N)CS(=O)(=O)C	PC-id_141237102	410.465	RDNWKZJGKZUOEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128362
S1Cc2c(nn(c2NC(=O)c2ccccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053668	410.465	XPOMIIKLTJKRRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128363
S1Cc2c(nn(c2NC(=O)c2ccc(F)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053343	410.465	PLGBUWSWBHLOEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128364
S1Cc2c(nn(c2NC(=O)c2cc(F)ccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053342	410.465	JWGKYIFHMRGHEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128365
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053341	410.465	GELDBLYGBJKUSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128366
CC(CC(=O)Nc1[nH]nc2c1CN(C2)C(=O)CC1=COC(O1)Cc1ccccc1)C	SCHEMBL2915800,PC-id_68439741	410.466	OBXUHCHFNTWGSB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-128367
COc1ccc(cc1OC)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109570	410.466	PMNFMKFLPCMCNL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128368
COc1ccc(c(c1)OC)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109573	410.466	JXJMFBBEQZLVDW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128369
COc1cccc(c1OC)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109578	410.466	QEDBSGPBUIWREY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128370
OCCCCn1c(CN2c3ccccc3C3(C2=O)CN(C3)C(=O)O)nc2c1CCC2	PC-id_139484377,SCHEMBL21351529	410.466	KQIXFRDBDFQRLS-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-128371
O=C(n1nc(NC(=O)c2ccc(cc2)C)c2c1CN(C2)C(=O)OC(C)(C)C)C1CC1	PC-id_71476793	410.466	DCOVZPZXHBGMGA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128372
O=C(n1nc(NC(=O)Cc2ccccc2)c2c1CN(C2)C(=O)OC(C)(C)C)C1CC1	PC-id_71476944	410.466	OYQPLLSAXDIFED-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128373
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C1CC1)c1ccc(cc1)C	PC-id_141257334	410.466	PMTQUSVVCVLCAA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128374
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3nnc4n3CCC4)cc12	EMOLS-id_36994086,MCULE-3332468757,ZINC22_54536179,PC-id_52371664	410.468	STMHPUIWVJZAIK-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-128375
CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCC3)C1=O	ZINC22_32789106,PC-id_40020948,CoCoCo_4768985	410.468	MAMJBPRVYPTTEO-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-128376
CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCC3)C1=O	ZINC22_32789111,CoCoCo_4768984,PC-id_40020952	410.468	MAMJBPRVYPTTEO-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128377
N#Cc1c(NC(=O)CN2C(=O)NC(C2=O)CCS(=O)(=O)C)sc2c1CCC2	EMOLS-id_24016195,PC-id_42952405,MCULE-3539778216	410.468	MAMJBPRVYPTTEO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128378
ONC(=O)CN1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C	PC-id_44137569,SCHEMBL8028767	410.468	GSFXUVBUOOICNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128379
ONC(=O)CN1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C	PC-id_44137568,SCHEMBL8015050	410.468	MALVCUCEEVCARG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128380
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)NC(=O)OC)C(=O)OCC	PC-id_45550258	410.468	ILNGWYAWOCGUQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128381
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)N)C(=O)[O-]	PC-id_14124378	410.468	CTIPIJBLSYZQGU-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-128382
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)CC(=O)N)C(=O)[O-]	PC-id_10047170	410.468	CTIPIJBLSYZQGU-CZVPAOTRSA-N	00001011100000000001001010000000000000000000000000000000	25-01-128383
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)CC(=O)N)C(=O)[O-]	PC-id_10070144	410.468	CTIPIJBLSYZQGU-KDBJQJJFSA-N	00001011100000000001001010000000000000000000000000000000	25-01-128384
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N)c2=O)C=Cc1cccs1	MCULE-2214310087	410.469	FLCXCDHVHNQXAZ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128385
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)CCN1CCCCC1	PC-id_68439692,SCHEMBL2915658	410.47	QTCVELQSBAYADV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128386
c1(C(F)F)c2CCCc2n(CC(=O)N(CCCC)c2nc(c(C(=O)C)s2)C)n1	EMOLS-id_8867233,PC-id_19590873,MCULE-1320848395,ZINC22_36613733	410.481	WXIQBSPWUITDFJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128387
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	MCULE-9940117824,ChEMBL-DNDi_CHEMBLF2815-0332,CoCoCo_2590329,PC-id_22582911,EMOLS-id_16349229	410.483	IVNUDYGCVTVOFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128388
c1(NC(=O)COC(=O)C(C(C)C)NC(=O)C)sc2c(CCC2)c1C(=O)OCC	PC-id_3277502,EMOLS-id_6744715,MCULE-1165095014	410.485	DRIWOXYIOZTLLM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128389
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](NC(=O)C)C(C)C)sc2c1CCC2	PC-id_7238055,ZINC22_4460449	410.485	DRIWOXYIOZTLLM-MRXNPFEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128390
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](NC(=O)C)C(C)C)sc2c1CCC2	PC-id_7238057,ZINC22_4460453	410.485	DRIWOXYIOZTLLM-INIZCTEOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128391
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)Nc1ccccc1	PC-id_17377949,MCULE-3194446483,TIMTEC243247,EMOLS-id_4090196	410.486	JNFMVOLNNHVKSW-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-128392
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337702,MCULE-4391488641	410.486	FUVWLRXHPNEUGE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128393
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2808553664,EMOLS-id_334343075	410.486	QNNADNQRXVMBOE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128394
c1(NC(=O)c2cc(on2)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-3129458676,CoCoCo_6310968,ZINC22_27582617,PC-id_17011692,TIMTEC451471,EMOLS-id_10101576	410.486	SLHZWSHMBAXESS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128395
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_9410649,CoCoCo_6361157,MCULE-1903117536,PC-id_17012923,ZINC22_27756290,TIMTEC215232	410.486	IHZRKFPZPCGSSI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128396
c1(NC(=O)C(=Cc2ccc(cc2)OCCC)C#N)sc2c(CCC2)c1C(=O)OC	MCULE-2449913346,PC-id_1663683	410.486	UCYYNDBFMZCIKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128397
c1(NC(=O)C(=Cc2ccccc2OCCC)C#N)sc2c(CCC2)c1C(=O)OC	PC-id_73569160,MCULE-4662019462	410.486	OVMVSYSVDVTVAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128398
c1(NC(=O)C(=Cc2ccc(cc2)OCC)C#N)sc2c(CCC2)c1C(=O)OCC	PC-id_5046111,MCULE-9006905755	410.486	SDVBKCZQIZSMBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128399
c1(NC(=O)CCOc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334344100,MCULE-7140040461	410.486	CWYWKVJFLHDTIU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128400
c1(NC(=O)COc2ccccc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_6329980,EMOLS-id_10105478,TIMTEC308599,PC-id_17012699,ZINC22_27663149,MCULE-9132729001	410.486	MHYLFIABXQEJKC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128401
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_6330221,ZINC22_27663480,EMOLS-id_10105870,PC-id_17012918,MCULE-6299954779,TIMTEC150911	410.486	FOALSNCVWZHKEF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128402
c1(NC(=O)COc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_17013020,MCULE-9806777063,CoCoCo_6330350,EMOLS-id_10105988,ZINC22_27663639,TIMTEC197580	410.486	HOKTUNOSKITARH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128403
c1(NC(=O)COCc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340259,MCULE-7715066889	410.486	JIASQOWZFMYZFX-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128404
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1C(CCOCc1ccccc1)NC2=O	PC-id_118512011,SCHEMBL17258076	410.486	CBCHTZKRSBXNQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128405
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1[C@@H](CCOCc1ccccc1)NC2=O	PC-id_118512009,SCHEMBL17258074	410.486	CBCHTZKRSBXNQW-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128406
COc1ccc(cc1)C(=O)c1ccc2n1CCC2C(S(=O)(=O)N)c1ccccc1	PC-id_67611111,SCHEMBL8518704	410.486	LCSUWHLIINMRDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128407
COc1ccc(cc1)C(=O)c1cccc(c1)CS(=O)(=O)NC1CCn2c1ccc2	PC-id_67611113,SCHEMBL8518706	410.486	ZIRMUXSJNIZMTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128408
COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc2c(s1)CCC2	EMOLS-id_11832743,ZINC22_8302717,MCULE-7192071273,PC-id_9426140,CoCoCo_3199786	410.486	BIEOOKPBPARWLT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128409
O=C(c1ccc2n1CCC2C(c1ccccc1)(CS(=O)(=O)N)O)c1ccccc1	PC-id_67611664,SCHEMBL8519647	410.486	KZLURRJFVNOYLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128410
OCCS(=O)(=O)N(C1CCn2c1ccc2)c1cccc(c1)C(=O)c1ccccc1	SCHEMBL8519645,PC-id_67611663	410.486	HRNBXLAVMCNGQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128411
OCC(S(=O)(=O)N)(C1CCn2c1ccc2C(=O)c1ccccc1)c1ccccc1	SCHEMBL8519643,PC-id_67611662	410.486	XZTCFXCVCYCOMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128412
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832855,PC-id_27524610,ZINC22_17088520	410.486	JNFMVOLNNHVKSW-HUUCEWRRSA-N	00000010100011110000000010000000000000000000000000000000	25-01-128413
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27524608,CoCoCo_6832854,ZINC22_17088519	410.486	JNFMVOLNNHVKSW-GJZGRUSLSA-N	00000010100011110000000010000000000000000000000000000000	25-01-128414
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_17088518,PC-id_27524606,CoCoCo_6832853	410.486	JNFMVOLNNHVKSW-LSDHHAIUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-128415
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_17088521,PC-id_27524612,CoCoCo_6832856	410.486	JNFMVOLNNHVKSW-CABCVRRESA-N	00000010100011110000000010000000000000000000000000000000	25-01-128416
s1c2c(CCC2)c(c1N=Cc1oc(cc1)C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_3346685	410.486	LEVIOMFUGVLEIE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128417
s1c2c(CCC2)c(c1/N=C/c1oc(cc1)C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_9665269	410.486	LEVIOMFUGVLEIE-FSJBWODESA-N	00000010101000110000000010000000000000000000000000000000	25-01-128418
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCC)cc1)/C#N)C(=O)OCC	PC-id_1684211	410.486	SDVBKCZQIZSMBA-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128419
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCCC)cc1)/C#N)C(=O)OC	PC-id_1663682	410.486	UCYYNDBFMZCIKX-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128420
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1c(OCCC)cccc1)/C#N)C(=O)OC	PC-id_19206699	410.486	OVMVSYSVDVTVAP-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128421
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccccc1)C(=O)OCC	PC-id_52087756	410.486	KTMHLSDJTZGOFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128422
s1c2CCCc2c(c1NC(=O)COC(=O)CCC(=O)c1c(ccc(c1)C)C)C#N	PC-id_7212506	410.486	DTRDBMMLCCUYSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128423
s1c2CCCc2c(c1NC(=O)COC(=O)CCC(=O)c1cc(c(cc1)C)C)C#N	PC-id_9128350	410.486	OHTNBDQYLNLLJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128424
CC(=Cc1occ2c1CCC2)P(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL19929752	410.487	QKYMQAJDZYQOMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128425
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)C)C(=O)O	PC-id_14124290	410.488	TULZIELVFNMANI-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-128426
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)CCC(=O)OCC	PC-id_44053212	410.488	XMGVVRFIBAKPKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128427
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)C)C(=O)O	PC-id_57149997	410.488	TULZIELVFNMANI-JIIONDHNSA-O	00001011100000000001001010000000000000000000000000000000	25-01-128428
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)Cc1ccccc1C	SCHEMBL2922161,PC-id_68441866	410.489	PYLHIOZUCLSFND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128449
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1CC(=O)NCc1ccco1	ZINC22_90557753,EMOLS-id_44394032,PC-id_44053266,MCULE-5299113071	410.489	ZLODUQXXHSYJSZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128429
c1(NC(=O)c2ccc(c(N(=O)=O)c2)NC2CCCCC2)sc2c(CCC2)c1C#N	PC-id_3320350,MCULE-4185289286	410.489	JDKUDNBLMRHUEI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128430
Cc1cccc(c1)CC(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251741	410.489	ZRMKLOITIIJVRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128431
Cc1cccc(c1)CC(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2926241,PC-id_68443564	410.489	QADGVKVFNAJHBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128432
Cc1cccc(c1)CC(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2918509,PC-id_68440630	410.489	QEKQHVDPIMZCGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128433
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)C(c1ccccc1)C	PC-id_141251724	410.489	KGMBPFOSMBAYJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128434
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)C(c1ccccc1)C	SCHEMBL2914985,PC-id_68439426	410.489	TVITXNKLVIXGAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128435
CC(C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)c1ccccc1	SCHEMBL2918153,PC-id_68440535	410.489	BWTPWCXRJHBZJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128436
CCC(=O)N(c1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)c1ccccc1	SCHEMBL2925075,PC-id_68443085	410.489	SEOXEUMOMXGTQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128437
CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1n[nH]c2CCCc12	EMOLS-id_335103427,MCULE-1679825136	410.489	PDDFQUWAOGYLOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128438
O=C(c1ccc(cc1)S(=O)(=O)N(c1ccccc1)C)Nc1n(C)nc2c1CCC2	MCULE-1621079051,PC-id_30859115,CoCoCo_5273015,EMOLS-id_24910402	410.489	CPLJJDOPHQUDPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128439
O=C(Cc1ccccc1C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68441870,SCHEMBL2922167	410.489	CFDUCNRXHQANLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128440
O=C(C(c1ccccc1)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2914982,PC-id_68439425	410.489	FYRGCTZXEOSOSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128441
O=C(Cc1ccccc1C)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251776	410.489	BMTJGNSBHWYHFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128442
O=C(Cc1ccccc1C)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	PC-id_68442618,SCHEMBL2923953	410.489	DQKNIAYHILZGBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128443
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)Cc1ccc(cc1)C	PC-id_68439592,SCHEMBL2915389	410.489	QWGGTNMTVZYSQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128444
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)Cc1cccc(c1)C	SCHEMBL2919288,PC-id_68440886	410.489	BZQPVIYNRMCTTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128445
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)Cc1ccc(cc1)C	PC-id_141251775	410.489	ZVJUPMYAGCRYHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128446
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)Cc1ccc(cc1)C	PC-id_68443272,SCHEMBL2925487	410.489	PLRFKHZYXLGDBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128447
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)Cc1ccc(cc1)C	SCHEMBL2915385,PC-id_68439590	410.489	VDCHKJZFJZZJPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128448
s1c2CCCc2c(c1NC(=O)c1cc([N+](=O)[O-])c(N2CCC(CC2)C)cc1)C#N	PC-id_23739848	410.489	WTBMHRTYYGGOJW-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-128450
s1c2CCCc2c(c1NC(=O)c1cc([N+](=O)[O-])c(N2CCCCCC2)cc1)C#N	PC-id_23793735	410.489	HNZYJIRNWJIAMH-UHFFFAOYSA-N	00000010100000110100100010000000000000000000000000000000	25-01-128451
s1c2c(CCC2)c(c1NC(=O)CNc1nn(cc1)c1ccccc1)C(=O)OCC	PC-id_55923313	410.489	CXYXIGDAPUULCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128452
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C)C)CC(=O)NCc2occc2)C1	PC-id_44053265	410.489	HFMDUXWPHQPVJB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128453
S1Cc2c(nn(c2NC(=O)Cc2cc(ccc2)C)CC(=O)NCc2occc2)C1	PC-id_44053311	410.489	FNEAUZVMNHSVAD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128454
S1Cc2c(nn(c2NC(=O)CCc2ccccc2)CC(=O)NCc2occc2)C1	PC-id_44053313	410.489	GQAFTBVNLXEGTN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128455
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccc(C(C)C)cc1)C(=O)N	PC-id_8710761	410.493	NBRNGZKCAPNYLH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128456
c1(c2CCCc2sc1NCc1cccc(F)c1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_9930826,PC-id_5054973,CoCoCo_2720371,MCULE-9879272955	410.504	YYPNFTIUQOPVQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128457
c1(c2CCCc2sc1NCc1cccc(F)c1)C(=O)Nc1ccccc1OCC	PC-id_3148510,EMOLS-id_1439567,CoCoCo_306043,MCULE-1970840522,BAS-03715670,ZINC22_3066001	410.504	WMPLLLDCCKVJFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128458
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1Cc2c(C1=O)scc2N)OC	SCHEMBL20579942,PC-id_137355476	410.508	IFCNKZCMAXZKSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128459
CCOc1c(ccc(c1)[C@H](CN1Cc2c(C1=O)scc2N)S(=O)(=O)C)OC	SCHEMBL20589562,PC-id_137363361	410.508	DKLOWEKTXSPVQM-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128460
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1Cc2c(C1=O)scc2N)OC	PC-id_137355474,SCHEMBL20579939	410.508	IFCNKZCMAXZKSJ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128461
Fc1cc(ccc1CN1Cc2c(C1=O)sc(c2)C(C)(C)C)c1ccnc(c1N)N	PC-id_121261524,SCHEMBL17660377	410.508	MBOLTEPFAOONNG-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-128462
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1cc(OCC)c(OCC)cc1	PC-id_9056011	410.508	OMOTWOPCVWPJQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128463
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)N1CCOCC1)C)C(=O)OCC	PC-id_8711530	410.508	QMHDHYXXWKBCGH-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-128464
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)N(C)C)C(=O)OCc1ccccc1	EMOLS-id_324350060,MCULE-4706980463	410.509	PALKRHKVTHQMEO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128465
c1(c2CCCc2[nH]n1)C(=O)N1CCO[C@@H](CN2CCC(CC2)O)[C@@H]1c1ccccc1	ZINC22_1857715627,MCULE-3245334558,EMOLS-id_330392820	410.509	AMGLZKMNMLPVTE-UNMCSNQZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128466
c1(C(=O)NC[C@@]2(c3ccccc3)CC[C@@H]([C@H](CC2)NC(=O)C)O)c2CCCc2[nH]n1	ZINC22_257228173,PC-id_110159980,EMOLS-id_171725413,MCULE-9695923691,LAS-34123341	410.509	FSQRWZFTIMWECH-JTAQYXEDSA-N	00000010100000110101100010000000000000000000000000000000	25-01-128467
COC(=O)c1ccc(cc1)NC(=O)c1c(/N=Cc2cccs2)sc2c1CCC2	CoCoCo_6250444	410.509	OYVPKLYLCKTZTJ-UUYOSTAYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128468
COC(=O)c1ccc(cc1)NC(=O)c1c(/N=C/c2cccs2)sc2c1CCC2	PC-id_45133672,CoCoCo_6250443	410.509	OYVPKLYLCKTZTJ-WSDLNYQXSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128469
O=C(NCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)OCc1ccccc1	PC-id_92109903	410.509	LKXGDBGAXSFKQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128470
s1c2c(CCC2)c(c1N=Cc1sccc1)C(=O)Nc1ccc(cc1)C(=O)OC	PC-id_34822362	410.509	OYVPKLYLCKTZTJ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128471
Cc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n(n1)c1ccc(C)cc1	EMOLS-id_328224124,MCULE-4722777126	410.511	WIJXMDALVAIIFN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128472
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1	MCULE-1975959259,PC-id_25550879,ZINC22_12849430,CoCoCo_4164357,EMOLS-id_24130489	410.511	HOYLJIXSJFAOAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128473
Cn1cc(cn1)c1cccc(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-6717451334,EMOLS-id_328213118	410.511	RJTKZDKGSLHBRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128474
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(=O)[nH]n1)C(=O)OCC	PC-id_8012949	410.511	FZNXTDIKILROSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128475
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCOC)cnn1)C(=O)OCC	PC-id_29964943	410.511	SFEGJBHWNNKMJR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128476
C1c2c(CC1)sc(NC(=O)CCC(=O)Nc1sc3CCCc3c1C#N)c2C#N	PC-id_3131767,BAS-01506170,EMOLS-id_1338851,ZINC22_4907064,MCULE-3775279076,CoCoCo_201721	410.513	WKYZFMIYKGXOEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128477
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CC3CCN(CC3)CC)Cc12	EMOLS-id_316318526,MCULE-2333975920	410.513	FYQRHCUKEYYZKG-SFHVURJKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128478
c1(C(=O)NCc2cccnc2)cnn2CC(NC(=O)CC3CCN(CC3)CC)Cc12	MCULE-2647051195	410.513	FYQRHCUKEYYZKG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128479
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCN1CCN(CC1)c1ncccn1	PC-id_101676820	410.513	IRJQMNKZFMUQCE-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-128480
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1	PC-id_11361885,BindingDB_PC-id_11361885,CHEMBL383104,BindingDB-id_21796	410.513	IPWGWCRUNGLOHK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128481
CC(CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C	PC-id_68440659,SCHEMBL2918564	410.513	YKQNLWSSRMMFFE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128482
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)NCc1ccccc1	PC-id_10454240,BindingDB_PC-id_10454240,CHEMBL597992	410.513	ZCUPTZASSFWMPJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128483
CSc1ccc(cc1)Cc1nn2c(n1)SC(C2=O)CC(=O)Nc1ccccc1	PC-id_102259684	410.513	UJVXIUWWXSVDSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128484
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cn(nc1)c1ccccc1)C)C(=O)N	PC-id_9292417	410.513	WUKGZQJCGZQTSM-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-128485
s1c2CCCc2c(c1NC(=O)CSc1n(c2cc(OC)ccc2)ccn1)C#N	PC-id_30802145	410.513	HEWMCKNOWWGKHP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128486
s1c2CCCc2c(c1NC(=O)CSc1oc(nn1)c1cc(cc(c1)C)C)C#N	PC-id_8276076	410.513	VFWOJSHACUYKQB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128487
s1c2CCCc2nc1NC(=O)c1ccc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_33041111	410.513	GCYFDZOHLIMQPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128488
COCCn1ncc2c1CN(C2)C(=O)Nc1nc(Br)ccc1[N+](=O)[O-]	PC-id_142527817	411.211	GEUZZFNUEMXTJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-128606
Cc1ccc(C)c(n2nnnc2SCC(=O)Nc2sc3c(c2C#N)CCC3)c1	EMOLS-id_3355696,PC-id_2475643,MCULE-1503997223,CoCoCo_3083439,ZINC22_3358230	410.516	JAOCBANOGBFBCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128489
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1Cc1ccccc1	MCULE-5943635284,EMOLS-id_335765163	410.516	UEBPSSNRESVMDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128490
s1c2CCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1ccncc1)C#N	PC-id_7625717	410.516	LIDSMQDNPGCDBC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-128491
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)c1c(cc(cc1)C)C)C#N	PC-id_7674222	410.516	WSQRSQSOCOHGJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128492
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)c1cc(cc(c1)C)C)C#N	PC-id_8827428	410.516	GHOYAEJMABAZCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128493
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)c1c(cccc1C)C)C#N	PC-id_8916635	410.516	FSVVOLZTMOGSAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128494
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)c1cc(c(cc1)C)C)C#N	PC-id_8976884	410.516	ZIVFNTGFWYZDAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128495
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6718733130	410.529	DVJHXTIWWVILSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128496
Cc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334335910	410.529	DVJHXTIWWVILSD-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128497
CCOC(=O)CCCn1c(=S)n2c(c1=C)cc(c2)O/C(=CC)/c1ccc(cc1)C	PC-id_143257991	410.529	PXPPJGDFFMHZJP-SQFVCTCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128498
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSCc1sccc1)C(=O)N	PC-id_8505974	410.531	BFKSAIFVPMIYSK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-128499
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1N1CCOCC1	CoCoCo_4234890,EMOLS-id_3675552,MCULE-8208225144,CoCoCo_4234891,ZINC22_8132878,PC-id_9267770	410.532	QMGOJHKZHHAXSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128500
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(N2CCOCC2)cc1	MCULE-5077299376,CoCoCo_4237252,EMOLS-id_3687838,ZINC22_8161416,PC-id_9296052,CoCoCo_4237251	410.532	DAONGAJZXWLRQD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128501
N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(c1C(=O)OCC)CCC2)CC	PC-id_102065701	410.532	ZNKMRCSHBWUMPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128502
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(cccc1C)C)C)C#N	PC-id_38345223	410.532	CIEHNYBIXXNIMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128503
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(c(ccc1)C)C)C)C#N	PC-id_38512541	410.532	ZJYUZPISYUVGOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128504
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(CC)cccc1)C)C#N	PC-id_46562846	410.532	WGUIOMHHYHYPDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128505
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OCC)cccc1)C#N	PC-id_4818425	410.532	HAOWVWSRDROSIM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128506
s1c2CCCc2c(c1NC(=O)CN(CC(=O)Nc1c(cc(cc1C)C)C)C)C#N	PC-id_9339654	410.532	IURIXCDQPKMTJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128507
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)[C@@H]([NH+](C)C)CC)C(=O)N	PC-id_2161342	410.534	PNAQEGTXHKUCQG-JTQLQIEISA-O	00000010100000000001000010000000000000000000000000000000	25-01-128508
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)[C@H]([NH+](C)C)CC)C(=O)N	PC-id_2161344	410.534	PNAQEGTXHKUCQG-SNVBAGLBSA-O	00000010100000000001000010000000000000000000000000000000	25-01-128509
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)C([NH+](C)C)CC)C(=O)N	PC-id_53457758	410.534	PNAQEGTXHKUCQG-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-128510
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC=C)nn1)C(=O)OC	PC-id_16517753	410.534	RZADXDQWNIIIQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128511
N#Cc1c(NC(=O)CCN(CC2CCCN2c2cccnn2)C)sc2c1CCC2	PC-id_86894608	410.536	KADMIFRWULXTEW-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-128512
s1c2c(CCC2)c(c1NC(=O)CC[NH2+]CCCN1CCOCC1)C(=O)OCC	PC-id_30655993	410.551	FMKUAJGASHZBKM-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-128513
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)CC)C(=O)OCC	PC-id_8796617	410.551	JDFSWKQFQBRLRD-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-128514
c1(C(=O)N(CC)CC2CCCN(CCc3cccc(OC)c3)C2)c2CCCc2[nH]n1	MCULE-9973984746,PC-id_45231251,EMOLS-id_20661649	410.552	JVAMWLYMVROHGT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128515
c1(NC(=O)c2sccc2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330541,MCULE-5309089852	410.552	QULXHVRBFDZRCE-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128516
c1(NC(=O)Cc2cccs2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4570761969,EMOLS-id_334330283	410.552	QMLZXVFXDXCPSM-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128517
CCCCOc1ccc(cc1)NC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109998	410.552	QRSWZXLCAFJSFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128518
CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2c1CCC2	CoCoCo_1511723,CoCoCo_1511717,CoCoCo_1511721,PC-id_42519439,ZINC22_12306396,CoCoCo_1511719	410.552	JVAMWLYMVROHGT-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-128519
CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2c1CCC2	CoCoCo_1511724,CoCoCo_1511720,ZINC22_12306394,CoCoCo_1511718,CoCoCo_1511722,PC-id_42519436	410.552	JVAMWLYMVROHGT-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128520
COc1ccc(cc1)[C@H]1CCCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCC2	GD-id_ZINC08325441,PC-id_9450890	410.552	ILOFMNDAEQPKSI-HXUWFJFHSA-O	00000010100000110100100010000000000000000000000000000000	25-01-128521
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCN1CCN(CC1)CCO	EMOLS-id_328215167,MCULE-8675186232	410.552	OAQBATLHLVGTDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128522
O=C(CN(Cc1ccccc1)C(=O)c1cc2CCCc2s1)NCc1cccs1	PC-id_3228405,BindingDB-id_142631,CHEMBL1444686,BindingDB_PC-id_3228405	410.552	WRRUBTKAPANKGA-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128523
s1c2c(CCC2)c(c1N=Cc1sccc1C)C(=O)Nc1ccc(OCC)cc1	PC-id_5243477	410.552	XSCGUADUJZAZEU-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128524
s1c2c(CCC2)c(c1/N=C/c1sccc1C)C(=O)Nc1ccc(OCC)cc1	PC-id_9613546	410.552	XSCGUADUJZAZEU-YDZHTSKRSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128525
s1c2c(CCC2)c(c1N=Cc1sccc1C)C(=O)Nc1c(OCC)cccc1	PC-id_3383364	410.552	UOZJNEPNFYOJKJ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128526
s1c2c(CCC2)c(c1/N=C/c1sccc1C)C(=O)Nc1c(OCC)cccc1	PC-id_9666779	410.552	UOZJNEPNFYOJKJ-YDZHTSKRSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128527
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCCCC1)c1ccc(OC)cc1)C#N	PC-id_85013264	410.552	ILOFMNDAEQPKSI-UHFFFAOYSA-O	00000010100000110100100010000000000000000000000000000000	25-01-128528
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCCCC1)c1ccc(OC)cc1)C#N	PC-id_9450888	410.552	ILOFMNDAEQPKSI-FQEVSTJZSA-O	00000010100000110100100010000000000000000000000000000000	25-01-128529
c1(NC(=O)CN2CCN(CC2)S(=O)(=O)CCCC)sc2c(CCC2)c1C#N	EMOLS-id_321729581,MCULE-1031397145	410.554	AMYJIXGTGWHXBG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128530
S1(=O)(=O)C[C@H]([NH+]2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)CC1	PC-id_9440497	410.554	QQAJFWRURHYEBH-CYBMUJFWSA-P	00000010100010000001100010000000000000000000000000000000	25-01-128531
S1(=O)(=O)C[C@@H]([NH+]2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)CC1	PC-id_9440499	410.554	QQAJFWRURHYEBH-ZDUSSCGKSA-P	00000010100010000001100010000000000000000000000000000000	25-01-128532
S1(=O)(=O)CC([NH+]2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)CC1	PC-id_85009782	410.554	QQAJFWRURHYEBH-UHFFFAOYSA-P	00000010100010000001100010000000000000000000000000000000	25-01-128533
S(=O)(=O)(N(C1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)C)C	PC-id_56525924	410.554	FXAJSBUGDBTOLD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-128534
S(=O)(=O)(NCC1CN(CCC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)C	PC-id_56359560	410.554	BACAGTOSMKYJFM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-128535
c1(c2CCCc2sc1NC(=O)CN(C)C1CCCCC1)C(=O)c1ccccc1C	PC-id_3219115,ZINC22_4889926,ASN-06264554,MCULE-1561738103,EMOLS-id_6627685	410.572	SFMLUKIUTSXZSC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128536
c1(NC(=O)CC2CCCCC2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7750059918,EMOLS-id_334329250	410.572	VODLKALTPWTVPE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128537
S1SCCC1CCCCC(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_78583164	410.574	FFZJLWFGIBVMNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128538
S1SCC[C@@H]1CCCCC(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_7963082	410.574	FFZJLWFGIBVMNN-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128539
CCN(CC)c1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324906500	410.575	UHFHHGIHKARSSF-SILNSSARSA-N	00000000100010110001000010000000000000000000000000000000	25-01-128540
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)CCC1CCCCC1	MCULE-9671790406	410.575	UHFHHGIHKARSSF-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-128541
s1c2CCCc2c(c1NC(=O)CSc1sc(SCC(C)C)nn1)C#N	PC-id_8334898	410.6	NAEHMVUXRYHAJK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128542
CNc1c(c2c(s1)CCC2)C(=NC1CCC(CC1)NCCCc1ccccc1)N	PC-id_136422196	410.619	NGWDCMWRLZVQOJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128543
CNc1sc2c(c1C(=N)N[C@@H]1CC[C@H](CC1)NCCCc1ccccc1)CCC2	SCHEMBL13644141	410.619	NGWDCMWRLZVQOJ-WGSAOQKQSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128544
s1c2c(CCC2)c(c1NC(=S)NCCCCCCCCCCC)C(=O)OC	PC-id_19651335	410.637	CPZAVVXTBVSLRB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128545
C=CCOc1c(cc(cc1C(C)(C)C)C)[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	PC-id_21880917,SCHEMBL2923360	410.687	GZIQGEAUKBKTFV-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-128546
C=CCOc1c(cccc1C(C)(C)C)[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	PC-id_21880921,SCHEMBL2921506	410.687	QDFOEJXCHMGYDM-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-128547
[I-].[n+]12c(n(c(c1/C=Cc1sccc1)Cl)C)SCC2	CHEMBL538861	410.725	UQYIWTVFNQXGJI-MKWAYWHRSA-M	00000010100100000001000010000000000000000000000000000000	25-01-128548
CCOC(=O)C(=O)c1c2CC(Cn2c(c1C)C(=O)Nc1ccc(c(c1)Cl)F)F	SCHEMBL19920571,PC-id_134302859	410.799	ZWVIMSGXQNDNBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128549
CCOC(=O)C(=O)c1c2C[C@H](Cn2c(c1C)C(=O)Nc1ccc(c(c1)Cl)F)F	PC-id_134302856,SCHEMBL19920568	410.799	ZWVIMSGXQNDNBR-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128550
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc([N+](=O)[O-])c1	PC-id_24363829	410.829	ISRUBXQGQLSCPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128551
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)Cl)Nc1nc(CC)ncc1F	PC-id_59333982,SCHEMBL3325706	410.831	JTEZBTZIFFTWIQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-128552
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)C=Cc1ccc(cc1)Cl	MCULE-6370093648	410.834	GJGPKGRDTADJSI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128553
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8360663674	410.834	LABRYQQEAVTUED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128554
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)C=Cc1ccc(cc1)Cl	MCULE-9729232694	410.834	ZUTZAAZWBSNWCN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128555
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)C=Cc1ccccc1	MCULE-8305173138	410.834	JIFADRWJCNTSLR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128556
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)/sc2nc(/C=C/c3ccc(Cl)cc3)nn12	EMOLS-id_26555385,ZINC22_16734978	410.834	GJGPKGRDTADJSI-BOHWWTNISA-N	00000000100000110001000010000000000000000000000000000000	25-01-128557
[O-][N+](=O)c1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1Cl	EMOLS-id_324915466	410.834	JIFADRWJCNTSLR-SZFVZERQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128558
C[C@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4172114,PC-id_51925101,ZINC22_39995738	410.847	KGWYDJBSEXPHNY-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128559
C[C@@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_39995739,CoCoCo_4172115,PC-id_51925102	410.847	KGWYDJBSEXPHNY-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128560
Clc1cc(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(F)cc1	PC-id_78739776	410.847	YEABTYYYRPCULX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128561
Clc1c(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(F)ccc1	PC-id_8233582	410.847	OSPGPJAZZUVWFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128562
Clc1cc(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(F)cc1	PC-id_8625502	410.847	YEABTYYYRPCULX-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128563
Clc1cc(F)c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_78749071	410.847	KZSFKEPVQFUBKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128564
Clc1cc(F)c(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_8664650	410.847	KZSFKEPVQFUBKA-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128565
Clc1c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(F)c1	EMOLS-id_29970442,MCULE-6691472006,PC-id_45853412	410.847	KGWYDJBSEXPHNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128566
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)Nc1cccc(Cl)c1	EMOLS-id_207863116,MCULE-9928757846	410.857	DHCJBCAXXLRZCQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-128567
Clc1ccc(CNC(=O)Nc2n[nH]c3c2CN(C3)C(=O)Nc2ccccc2)cc1	PC-id_68442472,SCHEMBL2923604	410.857	YMNYLKGQOPKOCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128568
Clc1cc(C(=O)/N=c/2sc3C(OC(=O)c3n2CCOC)(C)C)c(OC)cc1	PC-id_24899946,SCHEMBL3387220	410.872	NDWKFEGDZNEEJJ-JZJYNLBNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128569
Clc1ccc(cc1NC(=O)c1n[nH]c2CCCc12)S(=O)(=O)N1CCOCC1	MCULE-4574440520,EMOLS-id_335113931	410.875	NEVHSMVQCKAEMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128570
Clc1n(nc(c1C(=O)OC(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C)C	PC-id_75866680	410.875	BIXVXONYXDPBIM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128571
Clc1n(nc(c1C(=O)O[C@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C)C	PC-id_52549744	410.875	BIXVXONYXDPBIM-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128572
Clc1n(nc(c1C(=O)O[C@@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C)C	PC-id_52549745	410.875	BIXVXONYXDPBIM-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128573
c1(NC(=O)c2c(=O)cc(n(c3ccccc3Cl)n2)C)sc2c(CCC2)c1C#N	MCULE-2926947549,EMOLS-id_322820137	410.877	HDNVSMYPOFBAGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128574
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3)Cl)n2)C)sc2c(CCC2)c1C#N	MCULE-6520218002,EMOLS-id_322821161	410.877	NUSKQELRPRVQJY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128575
Clc1c(OCC(=O)Nc2nc3SCCn3c2C#N)ccc(c2ccccc2)c1	PC-id_60324103	410.877	KOQBEGIOZFAXJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128576
c1(NC(=O)c2c(cccc2Cl)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334391572,MCULE-7335912537	410.89	CVBOROZHPWSWEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128577
COc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(OC)cc1Cl	EMOLS-id_328216956,MCULE-2667221884	410.893	WVSOUWJGPHLRKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128578
Clc1c(C[NH+](C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(F)ccc1	PC-id_74597324	410.913	WMYDCICVHOTAKF-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-128579
Clc1c(C[NH+]([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(F)ccc1	PC-id_29681748	410.913	WMYDCICVHOTAKF-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-128580
Clc1c(C[NH+]([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(F)ccc1	PC-id_29681752	410.913	WMYDCICVHOTAKF-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-128581
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1)C	CoCoCo_81818,SPECS-id_AG-690/12883557,EMOLS-id_1231103,BAS-00486982,MCULE-9952163606,ZINC22_659410,SCHEMBL12443263,CHEMBL1476715,PC-id_1002877,ChEMBL-DNDi_CHEMBL2501-0875	410.916	RZXSHJQPKTUJCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128582
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1C	MCULE-8150972849,ZINC22_1081035,SCHEMBL12443268,CoCoCo_81796,PD109588,PC-id_1268006,EMOLS-id_1231059,BAS-00486932	410.916	CQBJHWQYSISGTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128583
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C)c1	ZINC22_1081034,MCULE-3962745445,CoCoCo_81822,BAS-00486991,EMOLS-id_1231111,SCHEMBL12443267,PC-id_1268005	410.916	IIUSTWOSMYJZOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128584
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1Cl	MCULE-9263579369,CoCoCo_1797027,PC-id_2173778,ZINC22_2811509,EMOLS-id_2110495	410.916	CEFRGPLQCFWMSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128585
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1Cl	CHEMBL1329424,MCULE-6587994293,ZINC22_4150914,CoCoCo_1731074,EMOLS-id_2757262,ChEMBL-DNDi_CHEMBL3261-0205,PC-id_3346576	410.916	JUDYKQJRQYNRQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128586
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)Cl	MCULE-1988893798,EMOLS-id_2366791,PC-id_1268003,ZINC22_1081032,CoCoCo_1731071	410.916	QNUWKHSMRKHVTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128587
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1cccc(Cl)c1	EMOLS-id_1280446,BAS-00832383,MCULE-6196201006,ZINC22_837708,CoCoCo_138186,PC-id_1107238	410.916	PXDMACYGXAJHOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128588
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2Cl)sc2c(CCC2)n1	MCULE-2644926681	410.916	QXEIXBGSVWOQMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128589
Clc1ccccc1COc1ccc(/C=C/C(=O)Nc2nc3CCCc3s2)cc1	EMOLS-id_334662867	410.916	QXEIXBGSVWOQMQ-JLHYYAGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128590
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5741696711,EMOLS-id_334334126	410.938	IRCTUBNMSVCJCX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-128591
Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)cc1	PC-id_9368892	410.938	UAHVVWHYQLBAPE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128592
Clc1cc(S(=O)(=O)N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)ccc1	PC-id_9326992	410.938	RTKCRLPERCFOCG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128593
Clc1c(S(=O)(=O)N2CCCC2)cc(NC(=O)c2sc3CCCc3c2)cc1	PC-id_51548146	410.938	XFFNBJRHJFOSTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128594
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	CoCoCo_3278612,ZINC22_8095766,MCULE-3589546731,PC-id_9225970,EMOLS-id_13552925	410.938	XJMSAGCNFJDTQV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128595
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cc2c(s1)CCC2	EMOLS-id_2984532,CoCoCo_3345236,PC-id_3476722,ZINC22_4948653,MCULE-2637956420	410.938	UKWQIUJVFNZTKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128596
C=CC[N@H+](Cc1ccc(s1)Cl)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	GD-id_ZINC08164305,PC-id_9298551	410.961	BJKCELUDLKRTCZ-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-128597
CC1=C(N2C(C(C2=O)NC(=O)CN3C4=C(CCC4)SC3=S)SC1)C(=O)O	PC-id_154192324	411.038	DXCOURIBPSLFDB-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-128598
CCCOCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_140257039	411.11	SYRWTDXCERUKAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128599
CC(OCCCN1C(=O)c2c(C1=O)c(sc2Br)Br)C	PC-id_140256987	411.11	DLJRBUQCOPKNFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128600
C1CC2=C(C1)NN=C2C(=O)NCC3=CC(=NC=C3)CNC(=O)C4=C(C(=CC=C4)F)F	PC-id_165419690	411.151	UYJAELBXVHQCJM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-128601
CCOC(=O)C1=C2CCCN2C(=C1C)C(=O)C(=O)NC3(CC(C3)(F)F)C(=O)NC	PC-id_154663307	411.161	NJKAIKBWRKOHMS-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-128602
C[C@@H](C(=O)NCC1=CC2=C(S1)CNC2)NC(=O)[C@@H]3CC[C@H](C3)CC4=CC=CC=C4	PC-id_160201630	411.198	OHHZABDBBPWXKW-RYQLBKOJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128603
CCCC[Sn](c1nn(c2c1CCC2)C)(CCCC)CCCC	SCHEMBL14737806,PC-id_71279981	411.204	KWIWTJVEMXDVLG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128604
COCCn1nc2c(c1)CN(C2)C(=O)Nc1nc(Br)ccc1[N+](=O)[O-]	PC-id_142527824	411.211	DGVOKLVNMTZCKW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-128605
CCCCCCCCC1=NS(=O)(=O)C2=C(SC(=C12)C(C)(C)C)C(C)(C)CC	PC-id_163823170	411.227	NXDYLFYKLYHINN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-128607
c12CN(Cc1nn(CCC)c2I)C(=O)OCc1ccccc1	EMOLS-id_324342630,MCULE-7856191626	411.237	WXVMUKDGOWNPPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128608
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(F)cc(c1)C(F)(F)F	SCHEMBL18740078	411.274	ZRLJXJOCZWZXHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128609
FC(F)(F)c1ccc(c2oc(=O)n(n2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL5537595,PC-id_69479865	411.292	VSCXCSIKRUWBDX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128610
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(Br)cc1O	EMOLS-id_328217718,MCULE-6379582456	411.292	CCKMJFIIVMACSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128611
c1(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)sc2c(CCC2)c1C(=O)N	MCULE-1993493346,PC-id_3542740	411.302	AIEDATLALSKKJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128612
c1(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)sc2c(CCC2)c1C(=O)N	ZINC22_1858225,MCULE-7127567907,EMOLS-id_26981419,TIMTEC40654,PC-id_5294273	411.302	AIEDATLALSKKJO-AATRIKPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128613
c1(NC(=O)CCn2c(C)c(c(C)n2)Br)sc2c(CCC2)c1C(=O)N	MCULE-5970873247,CoCoCo_6453717,PC-id_35525036,EMOLS-id_15294368,ZINC22_28227920	411.317	SUFUEYBDXMDENL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128614
Brc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_9235305	411.336	SVSDCBOIYSFCPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128615
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_20409205	411.336	LMSQJMCQSVRMLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128616
Brc1c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_27087511	411.336	FZKAEIOFPMIGDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128617
Brc1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC2CC2)cc1	PC-id_72046008	411.336	BGTCYWUUPVPSIA-UHFFFAOYSA-N	00100010100100000000000010000000000000000000000000000000	25-01-128618
c1(NC(=S)Nc2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OC	MCULE-9769259801,EMOLS-id_4091138,TIMTEC71630,CoCoCo_6800628,ZINC22_6288205,PC-id_3300806	411.336	BDSMIDRMKJTMMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128619
NC(=O)c1c(NC(=O)CSc2ccc(Br)cc2)sc2c1CCC2	PC-id_3251092,EMOLS-id_43734795,MCULE-5561555098,CoCoCo_2958592,ZINC22_5738167	411.336	UZVQIXJIXLHZFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128620
O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1csc(Br)c1	MCULE-2581140718,EMOLS-id_48226515,ZINC22_65066677,PC-id_75368917	411.337	GJMWLAFGIZPYPV-UHFFFAOYSA-N	00100010100100000000000010000000000000000000000000000000	25-01-128621
CCCNC(c1sc2c(c1)CCC2)Cc1ccc(cc1)I	PC-id_115864083	411.343	KOXHOCFCBBFWGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128622
C1(Cl)(Cl)CC1c1ccc(cc1)OC(C)(C)C(=O)Nc1sc2c(CCC2)n1	MCULE-2427647162,EMOLS-id_323373109	411.345	ZTBYUAYOHULYFS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-128623
Clc1c(NC(=O)CN(C(=O)c2sc3CCCc3c2)CCC)ccc(Cl)c1	PC-id_52892875	411.345	DUXBJDHOCZIFRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128624
Clc1c(NC(=O)CN(C(=O)c2sc3CCCc3c2)CCC)cc(Cl)cc1	PC-id_37151732	411.345	SJFPVJUWTBVBHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128625
Brc1sc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc1	PC-id_9299654	411.36	ROUAPXCJVXXPEA-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-128626
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])/C=C/N(c1ccc(cc1)C(F)(F)F)C	PC-id_69482743,SCHEMBL5547156	411.378	WCHJVAOKSQRLQR-IJDCCNJMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128627
FC(F)(F)c1ccc(CN2CCN(CC3Oc4n(C3)cc(n4)[N+](=O)[O-])CC2)cc1	PC-id_23081262,SCHEMBL5543324	411.378	CRHXHJSSTXWUIV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128628
FC(F)(F)c1ccc(CN2CCN(C[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])CC2)cc1	PC-id_69481564,SCHEMBL5543317	411.378	CRHXHJSSTXWUIV-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128629
FC(F)(F)c1ccc(CN2CCN(C[C@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])CC2)cc1	PC-id_69481729,SCHEMBL5544155	411.378	CRHXHJSSTXWUIV-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128630
FC(F)(F)c1ccc(N2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_10047222,SCHEMBL5542507	411.378	QJIFSMDAAMROGJ-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128631
FC(F)(F)c1ccc(N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5536070,PC-id_10341556	411.378	QJIFSMDAAMROGJ-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128632
FC(F)(F)c1ccc(N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5536080,PC-id_10341555	411.378	QJIFSMDAAMROGJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128633
FC(F)(F)c1ccc(N(C=CN(CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)C)cc1	PC-id_77659868	411.378	WCHJVAOKSQRLQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128634
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CN1CCNCC1c1ccc(cc1)C(F)(F)F	PC-id_141620021	411.378	BKCYPKSDYKCGRK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128635
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)OC(F)(F)F)C1	EMOLS-id_323417750,MCULE-1285083993	411.398	JXWJRCJIJGQMGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128636
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)C#C	SCHEMBL21296692,BindingDB-id_980716,PC-id_139434857	411.401	LBKPZWOXLRGVFG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-128637
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C	SCHEMBL5543139,PC-id_69481521	411.41	NCJMUIFYJCCXIN-QGZVFWFLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128638
O1C(Cn2c1nc([N+](=O)[O-])c2)(COC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C	SCHEMBL5543143,PC-id_69481522	411.41	NCJMUIFYJCCXIN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128639
CCOCC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)n1ccoc1=O	PC-id_139982970	411.411	RMPNJXLRMXKDMB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128640
FC(F)(F)C(c1ccc(OCC2Oc3n(C2)c(CCC)c(n3)C(=O)N)cc1)(C)C	PC-id_78096870	411.418	QOSWSFJCHRZRAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128641
FC(F)(F)C(c1ccc(OC[C@H]2Oc3n(C2)c(CCC)c(n3)C(=O)N)cc1)(C)C	PC-id_71521841	411.418	QOSWSFJCHRZRAL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128642
c1(NC(=O)c2ccc(c(OC)c2)OC(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_998347,ZINC22_652580,CoCoCo_5853464,TIMTEC303385,EMOLS-id_8249276,MCULE-6913475272,SPECS-id_AK-968/41922832	411.42	MCHHVPDHVWUYDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128643
c1(NC(=O)c2ccc(c3ccc(cc3N(=O)=O)C)o2)sc2c(CCC2)c1C(=O)N	PC-id_7354320,EMOLS-id_4091314,STOCK6S-07336,CoCoCo_6275230,MCULE-3457398501,ZINC22_4776834,SPECS-id_AN-153/I261018	411.431	KNIMXGYQAWGAMD-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-128644
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_2212959,TIMTEC433011,PC-id_1309181,ZINC22_1134932,CoCoCo_932335,MCULE-7677890813	411.431	RQYUBEBZZJTYNY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128645
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340011,MCULE-3138376564	411.431	SENXJCVVZJQYIX-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128646
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3983955683,ZINC22_1125151,EMOLS-id_2208397,TIMTEC545469,CoCoCo_920447,PC-id_1301253	411.431	XGHWHVUXBREHSN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-128647
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)Oc1ccccn1	SCHEMBL14055343,PC-id_89236815	411.431	FTBVKXOAHSGHNW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128648
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cnc(cc1)Oc1ccccc1	PC-id_89237014,SCHEMBL14055567	411.431	UXWPPBCWKWOYBW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128649
COc1ccccc1OCc1nc2s/c(=Cc3ccc(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324869644	411.431	IJKCKXMCCXCYOR-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128650
COc1cccc(OCc2nc3s/c(=Cc4ccc(O)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324871695	411.431	ZWEBOKRGAHKJEZ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128651
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1ccccc1OC	MCULE-2557289141	411.431	IJKCKXMCCXCYOR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128652
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1cccc(OC)c1	MCULE-3169039889	411.431	ZWEBOKRGAHKJEZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128653
O=C(c1ccccc1C(=O)N)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL4285746,PC-id_68987048	411.434	GCVVATWRPSHDCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128654
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(n2ncnc2)cc1)C(=O)N	PC-id_8378745	411.434	FTNFRVAQODOULK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128655
CC(CCc1c(F)c(F)c(c(c1F)F)CNC(=O)c1n(C)nc2c1CCC2C)C	SCHEMBL8083879,PC-id_19433078	411.436	ZKYHHVFHJPMQBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128656
CCCCc1c(F)c(F)c(c(c1F)F)CNC(=O)Cc1n(C)nc2c1CCC2C	PC-id_139660179	411.436	BJYNNKSCEGVBLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128657
CCCCCc1c(F)c(F)c(c(c1F)F)CNC(=O)c1n(C)nc2c1CCC2C	SCHEMBL8079233,PC-id_19433071	411.436	MSZZRKIGRNITNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128658
Fc1c(CC(C)(C)C)c(F)c(F)c(CNC(=O)c2n(nc3C(CCc23)C)C)c1F	PC-id_19433092,SCHEMBL8077427	411.436	KUULECBECBPPHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128659
O=C(Cc1n(C)nc2c1CCC2C)NCc1c(F)c(F)c(c(c1F)F)C(C)(C)C	PC-id_139660150	411.436	CMHFMDIWJGGPNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128660
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(cc1)C(F)(F)F)C)C(=O)N	PC-id_9221692	411.441	MMUZCUWSODOTPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128661
s1nc(nc1N/N=C/1c2n(nc(n2)C(C)C)N=C1CC)c1cc([N+](=O)[O-])ccc1	PC-id_23386366	411.441	YCUVNPMWDWJMHA-MOSHPQCFSA-N	00000011100000110001100010000000000000000000000000000000	25-01-128662
s1nc(nc1NN=C1c2n(nc(n2)C(C)C)N=C1CC)c1cc([N+](=O)[O-])ccc1	PC-id_74046501	411.441	YCUVNPMWDWJMHA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-128663
s1nc(nc1N/N=C
/C(=Nn2nc(nc12)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1	PC-id_59913543	411.441	HJIGJQUNHQDRDA-NDENLUEZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-128664
s1nc(nc1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1	PC-id_72594712	411.441	HJIGJQUNHQDRDA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-128665
s1c2CCCc2c(c1NC(=O)CCN(Cc1n(CC(F)(F)F)ccn1)C)C#N	PC-id_56527267	411.445	GUPIUNFJODTDBZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128666
c12c(CCC1C(=O)Nc1ccccc1F)sc(NC(=O)c1ccc(cc1)OC)n2	EMOLS-id_12347819,PC-id_16947878,MCULE-8124483463	411.449	CODPDZAFBFPOPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128667
c12c(CCC1C(=O)Nc1cccc(F)c1)sc(NC(=O)c1ccc(cc1)OC)n2	PC-id_16947879,EMOLS-id_12347821,MCULE-1317277680	411.449	LBIYIFLLRAHDKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128668
CCOc1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)ccc1OC	EMOLS-id_324837618	411.449	GNMJWLDZEXUUEU-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128669
CCOc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1OC	EMOLS-id_324840690	411.449	HNTXADGTUJYCLZ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128670
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324881928	411.449	DMEAPOMBPKXACX-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128671
COc1ccc(Cc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324924942	411.449	KVGLIZULOPUPKT-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128672
COc1ccc(CCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1OC	EMOLS-id_324891146	411.449	ZABCAYGUJDIDEV-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128673
COc1ccc(CCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324891660	411.449	WBMWLWIAOLIDSR-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128674
COc1ccc(CCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324894217	411.449	LRSLGGGTHVFWEM-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128675
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2ccccc2F)cc1	PC-id_41007308,ZINC22_9301461,CoCoCo_5124882	411.449	CODPDZAFBFPOPU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128676
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2ccccc2F)cc1	ZINC22_9301464,CoCoCo_5124883,PC-id_41007310	411.449	CODPDZAFBFPOPU-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128677
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2cccc(F)c2)cc1	CoCoCo_5124884,ZINC22_9301466,PC-id_41007312	411.449	LBIYIFLLRAHDKN-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128678
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2cccc(F)c2)cc1	PC-id_41007314,ZINC22_9301468,CoCoCo_5124885	411.449	LBIYIFLLRAHDKN-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128679
COc1ccc(OCCCc2nc3s/c(=Cc4ccccc4F)/c(=O)n3n2)cc1	EMOLS-id_324891649	411.449	HDYRCAQWWBDEFZ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-128680
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324892163	411.449	XEULBEIUDWEXPJ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-128681
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(F)cc4)/c(=O)n3n2)cc1	EMOLS-id_324890625	411.449	JVGHKOUBIAHUJB-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-128682
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-1278324348	411.449	LRSLGGGTHVFWEM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128683
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-7777806465	411.449	ZABCAYGUJDIDEV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128684
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCCOc1ccc(OC)cc1	MCULE-7200092602	411.449	HDYRCAQWWBDEFZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128685
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-6207881070	411.449	WBMWLWIAOLIDSR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128686
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-6826255025	411.449	XEULBEIUDWEXPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128687
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-9065699264	411.449	JVGHKOUBIAHUJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128688
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5231663338	411.449	KVGLIZULOPUPKT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128689
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1ccc(cc1)OCC	MCULE-5299143457	411.449	DMEAPOMBPKXACX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128690
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)Cc1ccc(F)cc1	MCULE-7987263892	411.449	HNTXADGTUJYCLZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128691
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)Cc1ccc(F)cc1	MCULE-3865327509	411.449	GNMJWLDZEXUUEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128692
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1	PC-id_16947253	411.449	DNGVQURNOPPQTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128693
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(OC)ccc1	PC-id_16947252	411.449	VSNIAZABCWOXBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128694
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(OC)cccc1	PC-id_16947251	411.449	RDHRKDANIMXQTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128695
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1	PC-id_16947880	411.449	UETVMPCMVUHLMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128696
C/C(=C/c1c2COCc2co1)/[P+](c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_134309984	411.452	YFFAOWOCUKHAHN-FXBPSFAMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128697
c12NC(=O)C(CC(=O)Nc3ccc(cc3F)C)n1nc(SCc1ccccc1)n2	MCULE-7307543779,PC-id_135994060	411.453	NVXZYALGUAPIPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128698
c1(C(=O)NCCNC(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c2CCCc2[nH]n1	MCULE-8422550798,EMOLS-id_323257530	411.454	KLWNYMFJFOXSNQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128699
CC(CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCOC1=O)C	SCHEMBL2947045,PC-id_68453250	411.454	BGMYAAVFCDTZNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128700
CCOCC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)C1CCNC1=O	PC-id_141251711	411.454	YABIKRQGPOHGPM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128701
COc1cc(C(=O)N(C)Cc2nnc3n2CCC3)ccc1OCc1c(C)noc1C	PC-id_17510256,CoCoCo_4469497,ZINC22_12858888,MCULE-9465234904,EMOLS-id_16706889	411.454	WTZINKOBPGKUEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128702
CC(NC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)N1CCCC1=O)C	PC-id_68440049,SCHEMBL2916745	411.458	JQERRYGUVIQBKK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128703
CCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1=O	PC-id_68456951,SCHEMBL2957863	411.458	RRCBBHBKZVVLSC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128704
CCC(C(=O)NCC(C)Cn1nc(C)cc1C)n1nc(c2CCCc12)C(F)(F)F	MCULE-8586976006,TIMTEC480785,PC-id_19591005,EMOLS-id_8867513	411.464	ULYRXHRVTILVLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128705
CC[C@@H](C(=O)NC[C@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_51853200,ZINC22_36613956	411.464	ULYRXHRVTILVLE-LRDDRELGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128706
CC[C@H](C(=O)NC[C@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_51853201,ZINC22_36613957	411.464	ULYRXHRVTILVLE-BLLLJJGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128707
CC[C@@H](C(=O)NC[C@@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_36613954,PC-id_51853198	411.464	ULYRXHRVTILVLE-WBMJQRKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-128708
CC[C@H](C(=O)NC[C@@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_36613955,PC-id_51853199	411.464	ULYRXHRVTILVLE-MLGOLLRUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128709
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)OC	PC-id_7544343	411.468	FEEXDGJIKKHHNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128710
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(F)cc1)C(=O)OCC	PC-id_7544735	411.468	OQUXEGWVVPOXTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128711
Fc1cc(ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccncc1	MCULE-5597320640,EMOLS-id_328224113	411.471	BWIBVCUJKAIPDM-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-128712
O=C(Nc1nc2c(s1)CCC2)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	PC-id_16359101,CoCoCo_4164030,ZINC22_9502373,MCULE-2552302068,EMOLS-id_43971840	411.471	GMWGMXXBKDQKGJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128713
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1)C	PC-id_24540852	411.471	VJCSNMGHRHZORG-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-128714
s1c2CCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1c(F)cccc1)C	PC-id_74293265	411.471	VJCSNMGHRHZORG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128715
CCCCCc1nc(nn1CC(=O)N1Cc2c(C1)nc(o2)C)c1ccc(c(c1)C)F	SCHEMBL15024543,PC-id_89623272	411.473	VAQMYKFIKCYJGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128716
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNC(=O)OC(C)(C)C)C(=O)N	PC-id_28238118	411.473	NTLQAEBXTWNZGS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128717
c1(NC(=O)c2ccc(cc2)OCc2c(C)noc2C)sc2c(CCC2)c1C(=O)N	PC-id_84417646,MCULE-1315223506,EMOLS-id_181348420	411.474	XZJWQRWMBGLLPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128718
c1(NC(=O)c2[nH]nc(c3cccc(C)c3O)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_135675439,MCULE-1505192134	411.474	BOAZBYPRVKJVNO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128719
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OCC)C#N)sc2c(CCC2)c1C(=O)N	PC-id_73551233,MCULE-5062963014	411.474	PLKCGWUJAYKNQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128720
c1(NC(=O)COc2ccc(cc2)NC(=O)C2CCCO2)sc2c(CCC2)c1C#N	EMOLS-id_323223503,MCULE-8132068624	411.474	GZUHXUHGLCTSKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128721
c1(NC(=O)COc2cccc(c2)NC(=O)C2CCCO2)sc2c(CCC2)c1C#N	MCULE-1177841739,EMOLS-id_323165992	411.474	KELBIHZEKXECGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128722
Cc1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c(=O)n(c2ccccc2)n1C	PC-id_3651355,CoCoCo_2840978,EMOLS-id_43696780,MCULE-7745529844,ZINC22_5308737	411.474	DMSWBHRUEGVECV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128723
CC1(COCc2ccc(cc2)OCc2ccccc2)Sc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_145965418	411.474	POSVQAJLVZUBDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128724
Cc1noc(C)c1COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3639135,CoCoCo_3218539,PC-id_16354570,ZINC22_9865926,MCULE-5368480104	411.474	JJMSHCHYGBDOPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128725
Cc1noc(C)c1COc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_7777253,EMOLS-id_11664811,PC-id_8890921,MCULE-6402986815,CoCoCo_3218541	411.474	AALWSKAEWJOFSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128726
C=C/C=C(/c1cn2c(n1)s/c(=Cc1cc(OC)c(c(c1)OC)O)/c2=O)C=C(/N)C	SCHEMBL17787947,PC-id_121367231	411.474	SOQIPXFFTWAZDD-KAAKUKISSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128727
N#CCC(N1C(=O)c2c(C1=O)c(sc2)N)c1ccc(c(c1)OC1CCCC1)OC	SCHEMBL2995402,PC-id_68470283	411.474	GKMXTLYPXURDTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128728
[O-][N+](=O)c1cnc2n1CC(S2)(C)COCc1ccc(cc1)OCc1ccccc1	PC-id_146000915	411.474	AOUURJMSSMDQFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128729
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(OCc2c(onc2C)C)cc1	PC-id_38846120	411.474	NFFDPSZTUYJFHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128730
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OCc2c(onc2C)C)cccc1	PC-id_36703615	411.474	SHAVPLWPVHZDGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128731
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=O)C(=CC=C2)C)/NN1)C(=O)OCC	PC-id_19119212	411.474	ANHBNRBSYAPOGN-WYMLVPIESA-N	00000011100011000001100010000000000000000000000000000000	25-01-128732
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1cc(OC)c(OCC)cc1)/C#N)C(=O)N	PC-id_19172875	411.474	PLKCGWUJAYKNQJ-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128733
s1c2CCCc2c(c1NC(=O)COC(=O)C[C@H](NC(=O)C)c1ccccc1)C#N	PC-id_7132582	411.474	XSLDSEUSLUWFBO-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128734
s1c2CCCc2c(c1NC(=O)COC(=O)C[C@@H](NC(=O)C)c1ccccc1)C#N	PC-id_7132583	411.474	XSLDSEUSLUWFBO-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128735
s1c2CCCc2c(c1NC(=O)COC(=O)CC(NC(=O)C)c1ccccc1)C#N	PC-id_78449602	411.474	XSLDSEUSLUWFBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128736
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1cc(ccc1)C)C)C#N	PC-id_8885114	411.474	PKBFQZDPLFPAQE-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128737
s1c2CCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1cc(ccc1)C)C)C#N	PC-id_84864059	411.474	PKBFQZDPLFPAQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128738
c1(NC(=O)C(=O)N2CCC(CC2)C(=O)N)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-6890061915,ZINC22_10250688,PC-id_18586572,CoCoCo_5190629,EMOLS-id_5625858	411.476	ZGKMTCSHHUOKFI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128739
c1(NC(=O)C(=O)N2CCN(CC2)C(=O)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ZINC22_10250685,PC-id_18586571,EMOLS-id_5625856,MCULE-1038224933,CoCoCo_5190628	411.476	HUEIXJJSLYOOQT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128740
Cc1csc2nc(C)c(/C=c/3sc4nc(Cc5ccc(F)cc5)nn4c3=O)n12	EMOLS-id_324834047	411.476	WAWSAGYXEKGBFT-NVNXTCNLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-128741
n12c(=O)c(=Cc3cccc(O)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-9337046540	411.476	WXLWJQBKNKJFKA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128742
n12c(=O)c(=Cc3ccc(O)cc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-5609249250	411.476	RWZXMGXZPJYDAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128743
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)Cc1ccccc1	MCULE-4437230709	411.476	DGJHJGJNFZHVNB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128744
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)Cc1ccc(F)cc1	MCULE-3652364359	411.476	WAWSAGYXEKGBFT-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-128745
Oc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324821496	411.476	RWZXMGXZPJYDAD-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128746
Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324824570	411.476	WXLWJQBKNKJFKA-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128747
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)N)C(=O)O	PC-id_14124379	411.476	CTIPIJBLSYZQGU-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-128748
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)CC(=O)N)C(=O)O	PC-id_10047171	411.476	CTIPIJBLSYZQGU-CZVPAOTRSA-O	00001011100000000001001010000000000000000000000000000000	25-01-128749
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)CC(=O)N)C(=O)O	PC-id_10070145	411.476	CTIPIJBLSYZQGU-KDBJQJJFSA-O	00001011100000000001001010000000000000000000000000000000	25-01-128750
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)N)C(=O)O	PC-id_56984072	411.476	CTIPIJBLSYZQGU-XRBYAMRISA-O	00001011100000000001001010000000000000000000000000000000	25-01-128751
c1(cc(ccc1N1CCN(CC1)C)C(=O)Nc1sc2CCCc2c1C#N)N(=O)=O	MCULE-9568996683,EMOLS-id_328008725	411.477	QVHNZNYFOOXZBF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128752
c1(NC(=O)c2cc(on2)c2ccccc2)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277544,MCULE-6892176936,ZINC22_23138884,EMOLS-id_24913223,PC-id_30862208	411.477	BLJYPGQYOMOOSY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128753
c1(NC(=O)COc2cccnc2NC(=O)N2CCCC2)sc2c(CCC2)c1C#N	MCULE-4828442646,EMOLS-id_321808496	411.477	WAAJPIYNLUWMGA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-128754
CCCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nnc(c2ccco2)o1	PC-id_9371827,MCULE-7762058870,ZINC22_8243493,CoCoCo_3595160,EMOLS-id_11741285,CoCoCo_3595159	411.477	VYGWERPMWFWLOK-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-128755
N#Cc1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2c1CCC2	CoCoCo_3573446,MCULE-9144445437,CoCoCo_3573447,ZINC22_34872296,EMOLS-id_3298953,PC-id_4662616	411.477	NRQBIONCJTVAEV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128756
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1c(cccc1)C)C(=O)OCC	PC-id_3981141	411.477	IVUXHLFMIVLIME-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128757
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccc(cc1)C)C(=O)OCC	PC-id_7465560	411.477	WQIIYZXXQFGRTO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128758
S(=O)(=O)(Nc1c(cccc1)C)c1ccc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_37335535	411.477	FSLWAEQGITZOPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128759
S(=O)(=O)(Nc1ccc(cc1)C)c1cc(C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_30094491	411.477	QGZZMFKYMISCIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128760
S(c1n(NC(=O)c2nn(c3CCCc23)C)cnn1)CC(=O)NCc1ccccc1	PC-id_84467192	411.481	SIVKOFVCFSHWRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128761
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)Cc1ccc(F)cc1)C	PC-id_7238739	411.489	WGTPITICRUGMRL-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-128762
O=C(c1cc(n2c1C(CC2)C(=O)OC(C)(C)C)C(=O)c1ccccc1)OC(C)(C)C	SCHEMBL10942154,PC-id_20430877	411.491	AHIFQDMHVZQCCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128763
OC(=O)C1(C(C)(C)C)CCn2c1c(cc2C(=O)c1ccccc1)C(=O)OC(C)(C)C	SCHEMBL10942159,PC-id_70477822	411.491	NVYQQSDRZSOUJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128764
c1(sc2c(CCC2)c1C(=O)OCC)NS(=O)(=O)c1ccc(c(OC)c1)OC	CoCoCo_1989756,EMOLS-id_5913628,ZINC22_4914302,MCULE-2364891329,ASN-12667980,PC-id_6492746	411.492	JSKCGKALNNHKLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128765
c12CN(Cc1nn(CC1CCC1)c2C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	EMOLS-id_324347237,MCULE-6578023212	411.494	CTHXYMADJGLAMZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-128766
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)OCC)C(=O)OCc1ccccc1	EMOLS-id_324348257,MCULE-6793919175	411.494	KUZHQUOMZDLSEW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128767
CCOC(=O)C1(CCN(CC1)C(=O)c1n[nH]c2c1CCC2)Cc1ccc(cc1)OC	Chemmine_32369	411.494	PVIDSFRGTXOVSI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128768
OCCN1CCN(CC1)CCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_101838943	411.494	NZCQABODZYOOTF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128769
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_74534129	411.494	BBRBLTWAGVHCFH-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-128770
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27524773	411.494	BBRBLTWAGVHCFH-LSDHHAIUSA-M	00000010100010110000000010000000000000000000000000000000	25-01-128771
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27524775	411.494	BBRBLTWAGVHCFH-GJZGRUSLSA-M	00000010100010110000000010000000000000000000000000000000	25-01-128772
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27524777	411.494	BBRBLTWAGVHCFH-HUUCEWRRSA-M	00000010100010110000000010000000000000000000000000000000	25-01-128773
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27524779	411.494	BBRBLTWAGVHCFH-CABCVRRESA-M	00000010100010110000000010000000000000000000000000000000	25-01-128774
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)c1ccccc1	PC-id_92109378	411.496	LHKADWIHBZILMH-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-128775
s1c2CCCc2cc1C(=O)NNC(=O)c1oc(S(=O)(=O)NC(C)(C)C)cc1	PC-id_38700454	411.496	KKMLASYFPLTVPO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-128776
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)NCCOC)c(OC)cc1	PC-id_30796785	411.496	QBICIUZCYROOFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128777
S(=O)(=O)(N1CCC(CC1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C	PC-id_16606947	411.496	DEINJJOUUOKBQV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-128778
Cc1ccc(cc1)S(=O)(=O)n1cccc1C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327881572,MCULE-7879392241	411.497	XQERAWGMRXYZSM-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-128779
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cnc(cc1)c1ccccc1	SCHEMBL14056172,PC-id_89237545	411.497	VEAQCBLFBVFTTO-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-128780
CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1[nH]nc2c1CCC2	CoCoCo_1159065,CoCoCo_1159063,CoCoCo_1159067,CoCoCo_1159061	411.497	YBTQOMXHDXDMAO-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-128781
CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1[nH]nc2c1CCC2	CoCoCo_1159068,CoCoCo_1159062,CoCoCo_1159064,CoCoCo_1159066	411.497	YBTQOMXHDXDMAO-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128782
CCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OC	ZINC22_27022052,EMOLS-id_45970290	411.497	QSSYMKZJIIGNIL-ULPTZDRWSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128783
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1)C	PC-id_66941791,SCHEMBL1206329	411.497	RAHVVNQIDRKVPA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128784
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1)C	SCHEMBL1206326,PC-id_24765800	411.497	RAHVVNQIDRKVPA-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-128785
COc1ccccc1OCc1nc2s/c(=Cc3ccc(SC)cc3)/c(=O)n2n1	EMOLS-id_324868111	411.497	HYMJSGVMUKAFEX-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128786
COc1ccc(CN2CCNC(=O)C2CC(=O)NCc2n[nH]c3CCCc23)cc1C	MCULE-2227957560,EMOLS-id_337771497,PC-id_45186207	411.497	HQFQUTFNWBDIKO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128787
COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2n[nH]c3c2CCC3)cc1C	ZINC22_11936121	411.497	HQFQUTFNWBDIKO-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-128788
COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c3c2CCC3)cc1C	ZINC22_11936122	411.497	HQFQUTFNWBDIKO-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128789
COc1cccc(OCc2nc3s/c(=Cc4ccc(SC)cc4)/c(=O)n3n2)c1	EMOLS-id_324874242	411.497	CGFFSOJVQJBFFK-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128790
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)COc1cccc(OC)c1	MCULE-1217912657	411.497	CGFFSOJVQJBFFK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128791
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)C=Cc1cccs1	MCULE-5819672197	411.497	QSSYMKZJIIGNIL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128792
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)COc1ccccc1OC	MCULE-4818727362	411.497	HYMJSGVMUKAFEX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128793
n12nc(nc1sc(=Cc1sccc1C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-2031928641	411.497	VWFUGXRRGLIKNC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-128794
NC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_19739152	411.497	UTXXSXTZPCBSGH-JOCHJYFZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-128795
NC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_19739153	411.497	UTXXSXTZPCBSGH-QFIPXVFZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-128796
NC(=O)C1(CCN(C1)C(=O)c1n[nH]c2c1CCC2)Cc1onc(c1)C1CCCCC1	MCULE-7796589701,BDF-24695845	411.497	UTXXSXTZPCBSGH-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-128797
O=C1NCCN(C1CC(=O)NCc1n[nH]c2c1CCC2)Cc1c(OCC)cccc1	PC-id_45175099	411.497	YBTQOMXHDXDMAO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128798
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(C)CCC1)NCC(c1ccccc1)O	PC-id_145072774	411.497	HFXXGZRIMGISPT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-128799
O=C(N1Cc2n(nc(NC(=O)Cc3ccccc3)c2C1)C(=O)C(C)C)NCCCC	PC-id_54767972	411.497	JIESQNSALZSXLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128800
O=C(N1C(CCCC1C)C)COc1ccc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_75867022	411.497	XZHYVRWHWGKUMP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128801
O=C(N1[C@@H](CCC[C@@H]1C)C)COc1ccc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52550850	411.497	XZHYVRWHWGKUMP-IYBDPMFKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128802
O=C(N1[C@H](CCC[C@@H]1C)C)COc1ccc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52550851	411.497	XZHYVRWHWGKUMP-HOTGVXAUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128803
O=C(N1[C@@H](CCC[C@H]1C)C)COc1ccc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52550852	411.497	XZHYVRWHWGKUMP-HZPDHXFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128804
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)c2sccc2)ccc1	PC-id_30714236	411.497	ULIYPIYDLBMVCZ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128805
COCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n[nH]c1=O	CoCoCo_3113500,ZINC22_24715479,MCULE-6430722316,PC-id_32037475,EMOLS-id_29666452	411.499	CMRZBUGLVKSIQP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128806
CCC1CN(CCN1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL596936,BindingDB_PC-id_66738797,PC-id_66738797	411.501	XLIBYDWGBNOQFO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128807
CC[C@@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	PC-id_69758938,SCHEMBL6378174	411.501	AYQXTCYUNMXVFR-ZHDDOTHNSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128808
CCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1	PC-id_90862283	411.501	IFXYFZRYZUOFHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128809
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1)(C)C	SCHEMBL6376629,PC-id_59508238	411.501	IVSGZSOLBFBIIY-LSLKUGRBSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128810
CCN1C[C@H](C)N(CC1C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	PC-id_145493499	411.501	OXROSRUKCHCIIX-SLTAFYQDSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128811
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL6377994,PC-id_59508314	411.501	OXROSRUKCHCIIX-GNXJLENFSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128812
CCN1CCN(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL596421,BindingDB_PC-id_66738656,PC-id_66738656	411.501	GRJQHNJBMQVESY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128813
CCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL6376694,PC-id_59508234	411.501	RFHJMXBPAOCBFA-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128814
CC(NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1)C	PC-id_68443235,SCHEMBL2925406	411.501	DLHHTUONNLWSHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128815
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508177,SCHEMBL597554,BindingDB_PC-id_59508177	411.501	XLSLERMGQJYUCJ-KGLIPLIRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128816
CN1C[C@@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL18142798,PC-id_122614453	411.501	XLSLERMGQJYUCJ-UONOGXRCSA-N	00000010100010101001000010000000000000000000000000000000	25-01-128817
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)c1ccc(OC)cc1)C#N	PC-id_7896519	411.501	BIAKVFZWKQTNCJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128818
s1c2CCCc2nc1NC(=O)c1nc(C(=O)Nc2sc3CCCc3n2)ccc1	PC-id_39059926	411.501	BOVRVUWMPXFPFR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-128819
S1CCn2c1nc(NC(=O)c1sc(nc1C)c1ccc(OCC)cc1)c2C#N	PC-id_60324063	411.501	MGVNFLSDNYCMHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128820
N#Cc1c(NC(=O)CNC(c2cccs2)c2ccc(cc2)F)sc2c1CCC2	EMOLS-id_3697445,MCULE-3052118203,PC-id_16355804	411.516	AIMVNAGALZCLLW-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128821
N#Cc1c(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)sc2c1CCC2	PC-id_41198382,CoCoCo_4127020,ZINC22_57281424	411.516	AIMVNAGALZCLLW-FQEVSTJZSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128822
N#Cc1c(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)sc2c1CCC2	ZINC22_57281423,CoCoCo_4127021,PC-id_41198378	411.516	AIMVNAGALZCLLW-HXUWFJFHSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128823
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NCCCOC)C)C(=O)OCC	PC-id_55446164	411.516	AOQIAVSFJDQRFJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128824
c1(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328536,MCULE-6032361089	411.517	IPUTXPCKNHXWMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128825
c1(NC(=O)COc2ccc(cc2)NC(=O)C(CC)CC)sc2c(CCC2)c1C#N	EMOLS-id_323203269,MCULE-1478568205	411.517	JMRNTMFAASIBLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128826
c1(NC(=O)COc2cccc(c2)NC(=O)C(CC)CC)sc2c(CCC2)c1C#N	EMOLS-id_323209751,MCULE-3512794210	411.517	XMPINGJYFOWECO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128827
c1(NC(=O)COc2ccc(cc2)NC(=O)CCC(C)C)sc2c(CCC2)c1C#N	MCULE-5776180829,EMOLS-id_323263278	411.517	PFXWXQUFJQEUSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128828
c1(NC(=O)COc2cccc(c2)NC(=O)CCC(C)C)sc2c(CCC2)c1C#N	MCULE-6928516030,EMOLS-id_323163854	411.517	WTCZQNKBFXJBPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128829
c1(NC(=O)C(=O)N2CCC(CC2)Cc2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_4742415,STOCK6S-11884,PC-id_8069621,CoCoCo_1100836,ZINC22_6755174,MCULE-5291227820	411.517	DADAIOARDXYHKZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128830
Cc1ccc(cc1)/C=C/S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_117054881	411.517	FUVVGEXBJKIURN-WYMLVPIESA-N	00000010101000110001000010000000000000000000000000000000	25-01-128831
Cc1ccc(cc1)C=CS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109633	411.517	FUVVGEXBJKIURN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-128832
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1430692845,EMOLS-id_327798444	411.517	RHLDPQRLERDTDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128833
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8184861849,EMOLS-id_327913117	411.517	RHLDPQRLERDTDA-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128834
COc1ccc(c(c1)C1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2)OC	MCULE-5808758144,EMOLS-id_3627031,PC-id_16336031	411.517	UKWZMXFXOAMVDP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128835
COc1ccc(c(c1)OC)C1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-4465443710,PC-id_16380806,EMOLS-id_49984402	411.517	KFFMQDFAGFGJDM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128836
COc1ccc([C@@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1	PC-id_8854127,ZINC22_7739449	411.517	KFFMQDFAGFGJDM-SFHVURJKSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128837
COc1ccc([C@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1	ZINC22_7739455,PC-id_8854134	411.517	KFFMQDFAGFGJDM-GOSISDBHSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128838
COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCC3)c1	CoCoCo_4127659,CoCoCo_4127660,PC-id_8832787,ZINC22_7717944	411.517	UKWZMXFXOAMVDP-GOSISDBHSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128839
COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCC3)c1	PC-id_8832779,CoCoCo_4127658,CoCoCo_4127657,ZINC22_7717937	411.517	UKWZMXFXOAMVDP-SFHVURJKSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128840
s1c2CCCc2cc1C(=O)NCCCCCc1onc(n1)c1ccc(OC)cc1	PC-id_8137909	411.517	FSFDTRRPBMZYHB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128841
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)N2CCCC2)cc1)C	PC-id_85015436	411.517	VZPPKYDHTKFTHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128842
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)N2CCCC2)cc1)/C	PC-id_9462341	411.517	VZPPKYDHTKFTHP-HAHDFKILSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128843
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccccc1)CC(=O)OCC)C#N	PC-id_52855860	411.517	JZQTTWCERHHHKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128844
s1c2CCCc2c(c1NC(=O)CCN(CC)c1cc(ccc1)C(=O)OCC)C#N	PC-id_56525782	411.517	IABPMBRHJPWNDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128845
s1c2CCCc2c(c1NC(=O)CCN(CCC(=O)OC)Cc1ccccc1)C#N	PC-id_56358548	411.517	DDEYPSQOHNSCDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128846
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(=CC1)c1ccc(O)cc1)C)C(=O)N	PC-id_24682340	411.517	RWWLLSSWRSNDHE-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-128847
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(s1)CNC(=O)C	SCHEMBL14056274,PC-id_89237636	411.519	MOKQAEHBMKTYHY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-128848
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N)cc1)C(=O)OC	PC-id_20414191	411.519	BKRJOIIKPMHRSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128849
OC(=NCc1cn2c(n1)SCC2)CCc1nnc(o1)CCCCc1ccccc1	PC-id_42098076,CoCoCo_1167534,Chemmine_31708,EMOLS-id_20426415,MCULE-7847823098	411.52	ICNMDOMZQQUOIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128850
c12SCCn1cc(CNC(=O)CC1N(CCNC1=O)CC=Cc1ccccc1)n2	MCULE-1910088477,PC-id_75193185	411.521	BWHZPRMKRHHCFF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128851
CN(CCN(C(=O)c1nn2c(c1)C[C@@H](C2)Oc1cccnc1)Cc1cccs1)C	EMOLS-id_316253688,MCULE-7911291360	411.521	JTWDYARNGZSXNL-SFHVURJKSA-N	00000010100100101001000010000000000000000000000000000000	25-01-128852
O=C(CC1N(C/C=C/c2ccccc2)CCNC1=O)NCc1cn2CCSc2n1	EMOLS-id_337716468,PC-id_45932848	411.521	BWHZPRMKRHHCFF-QPJJXVBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128853
O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCc1cn2c(n1)SCC2	ZINC22_20536957	411.521	BWHZPRMKRHHCFF-UKTKYZJWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128854
O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCc1cn2c(n1)SCC2	ZINC22_20536960	411.521	BWHZPRMKRHHCFF-WEBJUUICSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128855
CC(C)(C)OC(=O)c1c(sc2c1CSC2)NC(=O)C1CCCCC1C(=O)O	PC-id_135191771,SCHEMBL20344330	411.535	QARCXUKGUIZFOG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-128856
S1(=O)(=O)C[C@H](N(C2CCCC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_8218839	411.535	QQFVQPNZYRFQEA-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128857
S1(=O)(=O)C[C@@H](N(C2CCCC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_8218840	411.535	QQFVQPNZYRFQEA-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128858
S1(=O)(=O)CC(N(C2CCCC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_78635591	411.535	QQFVQPNZYRFQEA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128859
CCOc1cc(ccc1OCC)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109768	411.537	ZXLBZUYLHNNEJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128860
s1c2c(CCC2)c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C(=O)OC	PC-id_73268523	411.539	ZENQPYIQRPYJFA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128861
NC(=O)c1c(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)sc2c1CCC2	PC-id_9050707,ZINC22_57383583,CoCoCo_3984279	411.54	NVKWVFAZBUGPIX-IBGZPJMESA-N	00000010100100110000000010000000000000000000000000000000	25-01-128862
NC(=O)c1c(NC(=O)CN[C@H](c2ccccc2)c2cccs2)sc2c1CCC2	ZINC22_57383584,CoCoCo_3984280,PC-id_9050711	411.54	NVKWVFAZBUGPIX-LJQANCHMSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128863
O=C(Nc1sc2c(c1C(=O)N)CCC2)CNC(c1cccs1)c1ccccc1	MCULE-2156961753,EMOLS-id_13401083,PC-id_16276455	411.54	NVKWVFAZBUGPIX-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-128864
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(OCC)cccc1)C#N	PC-id_7939440	411.54	HAOWVWSRDROSIM-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-128865
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(N2CCOCC2)cc1)C)C#N	PC-id_9296051	411.54	DAONGAJZXWLRQD-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-128866
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(N2CCOCC2)cccc1)C)C#N	PC-id_9267769	411.54	QMGOJHKZHHAXSG-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-128867
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1c(cc(cc1C)C)C)C)C#N	PC-id_9339653	411.54	IURIXCDQPKMTJM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-128868
CN(C)S(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	MCULE-1303342031,CoCoCo_4839463,EMOLS-id_30027997,ZINC22_26169735,PC-id_33412515	411.542	MNIMELRQUJQGMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-128869
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)OC)N1CCCC1	PC-id_111020355	411.544	OHBOQEPTSRSKLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128870
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1OC)N1CCCC1	PC-id_111020393	411.544	VWMLPKDKVRDKLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128871
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccc(c1)OC)N1CCCC1	PC-id_111020423	411.544	MUYZZBCHWAACDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128872
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(cc1)OC)N1CCCCC1	PC-id_111020361	411.544	NMBHWURKXDRPFJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128873
C1(CCCC1)(c1ccccc1)CCC(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328217378,MCULE-3852550222	411.557	XINCBQXAICYOFJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-128874
C1(CCCCC1c1ccccc1)CC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-1988838029,EMOLS-id_328104859	411.557	RINGDDKIMURKHP-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-128875
s1c2c(CCC2)c(c1NC(=O)CC[NH2+]CCC[NH+]1CCOCC1)C(=O)OCC	PC-id_7345811	411.559	FMKUAJGASHZBKM-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-128876
c1(c2CCCc2sc1NC(=O)CN1CCCCC1C)C(=O)Nc1cccc(C)c1	PC-id_4555781,MCULE-5375062172,EMOLS-id_2785854,TIMTEC595104	411.56	ZJNGICXZKOIDTB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128877
c1(c2CCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1cccc(C)c1	TIMTEC508669,ZINC22_4554483,CoCoCo_6724287,EMOLS-id_2785858,PC-id_3838832,MCULE-2613558114	411.56	VREGBMGZNYXOBI-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-128878
Cc1cccc(c1)CN1CCN(CC1)C(=O)CN(C(=O)c1sc2c(c1)CCC2)C	MCULE-2906867858,PC-id_9462339,EMOLS-id_257861139	411.56	HULHFMXXKFKGIX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128879
Cc1cccc(NC(=O)c2c(NC(=O)CN3CCCC[C@H]3C)sc3c2CCC3)c1	CoCoCo_6724284,CoCoCo_6724282,ZINC22_4554481,PC-id_7280789	411.56	ZJNGICXZKOIDTB-MRXNPFEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128880
Cc1cccc(NC(=O)c2c(NC(=O)CN3CCCC[C@@H]3C)sc3c2CCC3)c1	PC-id_7280791,CoCoCo_6724285,CoCoCo_6724283,ZINC22_4554480	411.56	ZJNGICXZKOIDTB-INIZCTEOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128881
CC[C@H](c1ccccc1)NC(=O)c1cc(c2n1CSC2)C(=O)CN1CCC[C@@H]1C	SCHEMBL18432162	411.56	VXTLJIPOOHDNJP-QFBILLFUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128882
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(CC1)Cc1ccccc1	MCULE-3915297193,PC-id_16341440,EMOLS-id_3630864	411.56	GDVNKABAGGTBRN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128883
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(Cc2ccccc2)CC1	CoCoCo_4224094,CoCoCo_4224093,PC-id_9430642,ZINC22_8307166	411.56	GDVNKABAGGTBRN-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128884
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(Cc2ccccc2)CC1	CoCoCo_4224096,ZINC22_8307167,PC-id_9430644,CoCoCo_4224095	411.56	GDVNKABAGGTBRN-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-128885
O=C(N(C[C@H]1C[NH+](CCC1)CCc1cc(OC)ccc1)CC)c1n[nH]c2c1CCC2	PC-id_42519435	411.56	JVAMWLYMVROHGT-LJQANCHMSA-O	00000010100010110001000010000000000000000000000000000000	25-01-128886
O=C(N(C[C@@H]1C[NH+](CCC1)CCc1cc(OC)ccc1)CC)c1n[nH]c2c1CCC2	PC-id_42519438	411.56	JVAMWLYMVROHGT-IBGZPJMESA-O	00000010100010110001000010000000000000000000000000000000	25-01-128887
s1c2c(CCC2)c(c1NC(=O)CCN(C(C(C)C)CO)Cc1ccccc1)C#N	PC-id_60330611	411.56	JPMWAOUQESYNPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128888
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)Cc1ccc(cc1)C(C)C)C(=O)N	PC-id_8915690	411.56	XBAMXJJFPXGJMZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-128889
s1c2c(nc1NC(=O)c1ccccc1)C(C(=O)NC1CC(CC(C1)C)(C)C)CC2	PC-id_16947049	411.56	WMFCZPNHQIVQGL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-128890
Cc1ccc(s1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1sc2c(n1)CCC2	MCULE-4084907821,EMOLS-id_44055967,PC-id_42940541	411.562	RKLIHSBXYJCCOM-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-128891
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCC4)C2)s1	CoCoCo_4636591,PC-id_33041090,ZINC22_25769383	411.562	RKLIHSBXYJCCOM-GFCCVEGCSA-N	00000010100110000001000010000000000000000000000000000000	25-01-128892
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)CCC4)C2)s1	ZINC22_25769384,CoCoCo_4636592,PC-id_33041091	411.562	RKLIHSBXYJCCOM-LBPRGKRZSA-N	00000010100110000001000010000000000000000000000000000000	25-01-128893
CC(CNC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)O	SCHEMBL19536349	411.562	BSDKORLTZGMMHO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-128894
OC[C@@H](NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19537408	411.562	QZWWSTYVABYVJO-LBPRGKRZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-128895
OCC(NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19542021	411.562	QZWWSTYVABYVJO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-128896
c1(NC(=O)CSc2scc(c3ccc(cc3)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_324888598,MCULE-3112564201,PC-id_24341130	411.563	VHGZPXOBXRRDBJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128897
O(CC(CCCC)CC)c1c(/N=N/C2C(=Nn3[n+](cnc23)C)C(C)(C)C)cccc1	PC-id_58636247	411.564	FJHYSXKVXAPBPN-OCEACIFDSA-N	00000011100000110001000010000000000000000000000000000000	25-01-128898
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1sc(NCCC)nn1)C)C(=O)N	PC-id_8993588	411.565	PZYKPLBAGIGEGZ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128899
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1sc(NCCC)nn1)C)C(=O)N	PC-id_8993593	411.565	PZYKPLBAGIGEGZ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128900
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC(C)C)nn1)C(=O)N	PC-id_8351795	411.565	VSPGJFHPSOKUQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128901
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NCCC)nn1)C)C(=O)N	PC-id_84895261	411.565	PZYKPLBAGIGEGZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128902
CCOC(=O)c1n(COCC[Si](C)(C)C)nc2c1CN(C2)C(=O)OC(C)(C)C	SCHEMBL6892470,PC-id_69930052	411.568	RNPSDQSCNBNRQL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-128903
O=C(C[N@@H+](C1CCCCC1)C)Nc1sc2c(c1C(=O)c1ccccc1C)CCC2	PC-id_7404262,GD-id_ZINC04889926	411.58	SFMLUKIUTSXZSC-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-128904
Brc1cc(Cl)c(OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8752785	411.701	QIRJZJUZYSCBKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128905
c1(NC(=O)COc2ccc(cc2Br)Cl)sc2c(CCC2)c1C#N	ZINC22_3616950,PC-id_3598200,MCULE-1067400852,CoCoCo_1961370,ChEMBL-DNDi_CHEMBL8012-3798,EMOLS-id_2582788	411.701	PEVDQNVEYFLFEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128906
Brc1sc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1Cl	PC-id_80132819	411.726	ZPWFUYJZSAFQEM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-128907
Brc1sc(S(=O)(=O)NC(c2n3CCCc3nn2)C)cc1Cl	PC-id_80133092	411.726	JMNKKTUFHGBPNA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-128908
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c(Cl)ccc(c2)C(F)(F)F)n1	BAS-01939658,PC-id_3136369,CoCoCo_224983,TIMTEC479496,EMOLS-id_1359709,SPECS-id_AN-329/42286215,MCULE-3426389872,ZINC22_2799583	411.729	UKOYIARPDRBQJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128909
Clc1c(NCc2n3CCCc3nn2)cnn(c1=O)c1ncc(cc1)C(F)(F)F	PC-id_24590574	411.769	ORMBVXVVTDTRRL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-128910
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(F)c1	PC-id_16529428	411.832	NOKVCNSTRFKJSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128911
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(F)ccc1	PC-id_16540721	411.832	RUVWRRJYBIVRFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128912
n12nc(nc1sc(=Cc1cc(Cl)ccc1OC(=O)C)c2=O)Cc1ccccc1	MCULE-3682174468	411.861	ZGWKQYXCGUEJDJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128913
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc([N+](=O)[O-])c1	PC-id_20415373	411.883	APELCSTZLJHKMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128914
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc([N+](=O)[O-])cc1	PC-id_8748245	411.883	RFFBXLZPOSPFIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128915
Clc1c([N+](=O)[O-])cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_20415290	411.883	YWHVCMQHKIDBEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128916
c1(c2CCCc2[nH]n1)C(=O)N1CCC(C1)c1cc([nH]n1)COc1cccc(Cl)c1	EMOLS-id_261415,MCULE-7747635913,BDF-24969519	411.885	DLDKHHGUBIZZFB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128917
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1	ZINC22_19704677	411.885	DLDKHHGUBIZZFB-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128918
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1	ZINC22_19704678	411.885	DLDKHHGUBIZZFB-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128919
Clc1ccc(cc1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331272296	411.901	JRYOBOYLSBOGEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128920
Clc1cccc(c1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331276135	411.901	PXBILDCWZFAVMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128921
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-3008996747,PC-id_18883965	411.905	HDBDITSXGZTZSC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128922
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883966,MCULE-2279552385	411.905	KOFORSMMSKUEJU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128923
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-6101930012,PC-id_18884020	411.905	OMJCGRSAFZRRPH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-128924
CC(C)c1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324886019	411.905	XEJDTCRGVOYEIA-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128925
CC(C)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324844280	411.905	HFZIJGQAECQUEY-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128926
Clc1ccc(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)cc1	PC-id_16947061	411.905	AJJSSCQMTRQUQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128927
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(cccc2)C)cc1	PC-id_16947396	411.905	QBVJWSNZRNOZFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128928
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(ccc2)C)cc1	PC-id_16947397	411.905	SQYOYTMFAZVGLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128929
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(cc2)C)cc1	PC-id_16947398	411.905	DNCXJQMOYGVKOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128930
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2ccccc2)cc1	PC-id_16947372	411.905	QEGYHBSMBLKROA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128931
Clc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)cc1	PC-id_16947566	411.905	BDOUKZWGVZRPJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128932
Clc1c(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)ccc1)C	PC-id_16947120	411.905	MEMWDLBARBYYCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128933
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)c(cc1)C	PC-id_16947121	411.905	ZJEBRIFURGNDGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128934
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)ccc1C	PC-id_16947122	411.905	HPVGVHMFSUYLPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128935
Clc1c(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)cccc1	PC-id_16947054	411.905	UADOFLSWYXYDDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128936
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)ccc1	PC-id_16947565	411.905	AVGDHEOEKCHDTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128937
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)COc1ccccc1Cl	MCULE-7022711285	411.905	XEJDTCRGVOYEIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128938
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)COc1ccc(Cl)cc1	MCULE-8113560449	411.905	HFZIJGQAECQUEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128939
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nnc3n2CCC3)c1	EMOLS-id_17175226,ZINC22_12786236,MCULE-5733493291,CoCoCo_4491045,PC-id_24236657	411.906	FYCYYRYUMOXENX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128940
CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2nnc3n2CCC3)ccc1Cl	ZINC22_54536130,PC-id_52371663,MCULE-3185046729,EMOLS-id_44028111	411.906	ZXMWDUZMKQPKCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128941
Fc1ccc(cc1Cl)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110031	411.921	DGYHLVUZNOSWCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128942
c1(NC(=O)c2c(Cl)cnc(SCCC)n2)sc2c(CCC2)c1C(=O)OC	TIMTEC253223,MCULE-3856337200,PC-id_16435260,EMOLS-id_9840955,CoCoCo_2210168,ZINC22_16742472	411.926	JYEQYXDGNUXQCK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-128943
c1(NC(=O)c2c(Cl)cnc(SCC)n2)sc2c(CCC2)c1C(=O)OCC	ZINC22_6810479,CoCoCo_2210023,EMOLS-id_2636896,PC-id_16436156,ChEMBL-DNDi_CHEMBLD054-0283,MCULE-2289137891,TIMTEC289943	411.926	LNAGKFQJHWNIEM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-128944
Clc1cc(ccc1C(=O)Nc1nc2CCCc2s1)N1CCCCS1(=O)=O	MCULE-5510917255,STOCK7S-18612,ZINC22_71281210,EMOLS-id_36507740,PC-id_53368155,EMOLS-id_46559623	411.926	POXCAKXNNDIQMJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128945
Clc1ccc(cc1N1CCCCS1(=O)=O)C(=O)Nc1nc2CCCc2s1	EMOLS-id_36510627,ZINC22_71283775,MCULE-6263423444,PC-id_53369626,EMOLS-id_46560756,STOCK7S-20376	411.926	UMXLHSULFQNCGJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-128946
Clc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nc2CCCc2s1	MCULE-5287306678,PC-id_16827769,EMOLS-id_30137535	411.926	YKRYLYGCFGMCMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128947
Clc1ccc(s1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109609	411.926	GREIWJMKNNVLJD-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-128948
O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	PC-id_16379432,CoCoCo_4164038,ZINC22_12587154,MCULE-7556790095,EMOLS-id_11839942	411.926	ADNHESACBZNACF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128949
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC22_8928286,PC-id_40878868	411.926	YKRYLYGCFGMCMZ-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128950
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC22_8928287,PC-id_40878869	411.926	YKRYLYGCFGMCMZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128951
CSc1ccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_27022645	411.928	AHEOECHOQCMHTN-VFLBTRNGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128952
CSc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1	ZINC22_16736657,EMOLS-id_45965243	411.928	AHEOECHOQCMHTN-PWFSRHFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128953
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8266974641	411.928	AHEOECHOQCMHTN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128954
C1CN2C(=C(C(=N2)C(F)(F)F)C(=O)N)N1CC3=CC(=CC(=C3)Cl)C(F)(F)F	PC-id_160346090	412.053	PYOUSMQDJDENKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128955
CC1(CCOCC1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Br	PC-id_148029955	412.063	JCKGKDAHTTVAEG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-128956
C#CCNC(=O)C(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155177202	412.074	MCYCCIBOXGFMBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128957
CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)SC3=NC=CN3C4=CC=CC=C4	PC-id_160097585	412.103	AHEKTEFOZZXBFA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128958
CCOC(=O)N1C2=C(CNC2(C)C)C(=N1)NC(C3=CC(=C(C=C3)Cl)Cl)OC	PC-id_147282203	412.107	CSNLJTCMFKHRDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128959
COC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(C4=C(N3)CCC4)C(=O)N	PC-id_155097771	412.132	IVEGQOHWAOWCFY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128960
CC(C)(C)[Si](C)(C)OC1=CSC2=C1CN(C2=O)[C@@H](CCC(=O)OC)C(=O)N	PC-id_151978356	412.149	UCDINYNMRJCNAI-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128961
CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)[O-])C(=O)[O-]	PC-id_153863609	412.151	BQOZRJANVRVHKG-UHFFFAOYSA-L	00000010100010110001100010000000000000000000000000000000	25-01-128962
CC1=NC2=C(S1)CN(C2)C(CN3C(=CC(=N3)C4=CC=C(C=C4)OC)C(C)C)OC	PC-id_163998662	412.193	UGZBQKBBQAATPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-128963
Ic1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)[O-])cc1	PC-id_9500624	412.222	BLGFMSNTBBHLGF-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-128964
CCN(CC)c1nc(c(cc1)N=C1C(=Nn2c1nnc2CNCCC(=O)OC)C)C	PC-id_163926643	412.234	RFBKCKJGKIRYMZ-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-128965
c1(NC(=O)c2ccc(cc2)I)sc2c(CCC2)c1C(=O)N	PC-id_4503435,EMOLS-id_181348433,ZINC22_6883063,MCULE-7198724447	412.245	KXYVJTOTOWLBTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128966
Ic1cccc(c1)C(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-9727739114,CoCoCo_3440019,EMOLS-id_13567300,PC-id_17478973	412.245	XYKKHEWUZLXZKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128967
Ic1ccc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684417	412.245	LEAOQEIJPRLWSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128968
Ic1c(C(=O)NNC(=O)c2sc3CCCc3c2)cccc1	PC-id_24414314	412.245	DCVMHHLRWUDAAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128969
NC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCC2	ZINC22_6884495,PC-id_4503431	412.245	KGQYGDVYHAZGAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128970
NC(=O)c1c(NC(=O)c2cccc(I)c2)sc2c1CCC2	ZINC22_6882580,PC-id_4503433	412.245	DOETYGJSSKKGLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128971
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)O)cc2S(=O)(=O)C)cc1	CHEMBL19521,PC-id_13687517,SCHEMBL10810321	412.255	CCIVTVKQLUTJBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128972
Brc1ccc(C(=O)c2n3c(C(OC(=O)O)CC3)cc2S(=O)C)cc1	PC-id_70449136,SCHEMBL10812132	412.255	KWVGAKRMVVTWEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128973
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccc(S(=O)(=O)C)cc1	SCHEMBL11272062,PC-id_20528153	412.255	HUIFWBFWIBQMJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128974
[B]C1=C2C(=C(S1)[B]C)C(=O)N(C2=O)CC(CCCCCC)CCCCCCCC	PC-id_164049891	412.265	AUCMODOUCKVWLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-128975
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)N(c1ccccc1Cl)Cl)N	SCHEMBL1984888,PC-id_87320084	412.27	DGGSEAVRVBDBOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128976
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	SCHEMBL1984887,PC-id_67237408	412.27	RHMVFDQOLVBHFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128977
Brc1cc(F)c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_8359171	412.273	HWYHTGTZBPDSRE-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-128978
Brc1cc(F)c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_8359174	412.273	HWYHTGTZBPDSRE-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128979
Brc1cc(F)c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_78674837	412.273	HWYHTGTZBPDSRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128980
c1(cccc(Br)c1F)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-6365697645,EMOLS-id_328102050	412.273	BRGMAXCCBSVKAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128981
Clc1c(C(=O)NCC(=O)NNC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_27684691	412.29	SRRUNUFWGOPKCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128982
COS(=O)(=O)c1ccccc1C(=O)c1cc(c2n1CCC2(C)C)Br	PC-id_140336895	412.298	LOSSGGFRWVORDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128983
Brc1cccc(c1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_3634268,CoCoCo_2666479,ChEMBL-DNDi_CHEMBLF0541-0030	412.301	VZNRXCWBHSJSNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128984
c1(NC(=O)c2ccccc2Br)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBLF0541-0029,MCULE-5760037861,CoCoCo_2666478,EMOLS-id_17487861,PC-id_3634267	412.301	ADQOJXRMLOMNHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128985
c1(NC(=O)c2ccc(cc2)Br)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBLF0541-0031,MCULE-3039183175,CoCoCo_2666480,EMOLS-id_16383060,PC-id_3634269	412.301	IPNACJPIFUFEGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-128986
Brc1ccccc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324838650	412.303	QEVQHGDFWKWPHP-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128987
Brc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324839671	412.303	PFSIIFPMFQEJFA-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128988
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCc1ccccc1	MCULE-1998141569	412.303	QEVQHGDFWKWPHP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128989
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)CCc1ccccc1	MCULE-4056249648	412.303	PFSIIFPMFQEJFA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-128990
Clc1c([C@@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)cc(F)c(Cl)c1	PC-id_9377840	412.309	OFIFBWBJCKLTLL-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-128991
Clc1c([C@H](NCC(=O)Nc2sc3CCCc3c2C#N)C)cc(F)c(Cl)c1	PC-id_9377842	412.309	OFIFBWBJCKLTLL-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128992
Clc1c(C(NCC(=O)Nc2sc3CCCc3c2C#N)C)cc(F)c(Cl)c1	PC-id_84995911	412.309	OFIFBWBJCKLTLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128993
c1(NC(=S)Nc2ccc(cn2)Br)sc2c(CCC2)c1C(=O)OC	TIMTEC388590,Chemmine_18045,EMOLS-id_2316989,CoCoCo_990890,PC-id_2205613,MCULE-4566452051,ZINC22_13281429	412.325	PTDDYNRERYICJX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-128994
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccc(Cl)c(Cl)c1	EMOLS-id_331275369	412.33	BJVXTNFEKDZASK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128995
Clc1cc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1Cl	PC-id_9251641	412.333	NENREWGBHVUFCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128996
Clc1c([C@@H](NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_9254424	412.333	KTCILLJAAXYIMR-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-128997
Clc1c([C@H](NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_9254428	412.333	KTCILLJAAXYIMR-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128998
Clc1c(C(NCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_84964224	412.333	KTCILLJAAXYIMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-128999
Clc1c(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_9197028	412.333	HOPPGKKWLWWCFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129000
ClC1(Cl)C(C1)CSc1c(NC(=O)NCc2n3CCCc3nn2)cccc1	PC-id_78893699	412.337	RWMJTDGHTUCPBW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-129001
Brc1cc(sc1)c1scc(n1)C(=O)Nc1sc2CCCc2n1	PC-id_52717235	412.348	OGHFYCDNYCHRMB-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-129002
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccccc2OC(F)(F)F)n1	MCULE-3391141153	412.363	BLPZULSVCDBFKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129003
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccccc2OC(F)(F)F)n1	MCULE-9188990813,EMOLS-id_316337458	412.363	BLPZULSVCDBFKP-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-129004
C1(=CNc2cc(OC)cc(OC)c2)C(=O)c2c(ccs2)C1NC(=O)C(F)(F)F	EMOLS-id_300435232,PC-id_5102343,MCULE-7793627183	412.383	PJHFPTJLXOIDLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129005
COc1cc(N/C=C/C(NC(=O)C(F)(F)F)c3ccsc3C2=O)cc(OC)c1	PC-id_6270775,EMOLS-id_45786862,MCULE-7068494891	412.383	PJHFPTJLXOIDLS-JYRVWZFOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129006
COc1cc(N/C=C/2C(=O)c3sccc3[C@@H]2NC(=O)C(F)(F)F)cc(OC)c1	PC-id_1474728,ZINC22_100914809	412.383	PJHFPTJLXOIDLS-MQJVFOOVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129007
COc1cc(N/C=C/2C(=O)c3sccc3[C@H]2NC(=O)C(F)(F)F)cc(OC)c1	PC-id_1474730,ZINC22_100914807	412.383	PJHFPTJLXOIDLS-YLHGKKIISA-N	00000010100000110000000010000000000000000000000000000000	25-01-129008
NC(=O)c1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2	ZINC22_5981186,MCULE-3454133652,PC-id_4211250,CoCoCo_3042178,EMOLS-id_3461001	412.383	LCWCDEQDRVQRJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129009
NC(=O)c1c(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCC2	CoCoCo_3041875,PC-id_5110672,EMOLS-id_3460937,ZINC22_5979725,MCULE-8762444741	412.383	TXWJRXPEPXREFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129010
O=C(COC(=O)c1cc2c(s1)CCC2)NCC(=O)Nc1ccc(F)c(F)c1F	EMOLS-id_31833183,MCULE-1407583346,PC-id_7623888,ZINC22_5308781	412.383	QURNZVFCVFYWAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129011
s1c2c(CCC2)c(c1NC(=O)c1cc(ccc1)C(F)(F)F)C(=O)NC(=O)OC	PC-id_7521450	412.383	XHNPQQBLJRMNSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129012
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cccc1)C(F)(F)F)C(=O)N	PC-id_3369163	412.383	CTUJKDANYZQBNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129013
s1c2c([C@H](NC(=O)C(F)(F)F)C(=CNc3cc(OC)cc(OC)c3)C2=O)cc1	PC-id_1474727	412.383	PJHFPTJLXOIDLS-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129014
s1c2c([C@@H](NC(=O)C(F)(F)F)C(=CNc3cc(OC)cc(OC)c3)C2=O)cc1	PC-id_1474729	412.383	PJHFPTJLXOIDLS-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129015
c1(NC(=O)c2ccc(cc2)COCC(F)(F)C(F)F)sc2c(CCC2)c1C#N	MCULE-8020632334,CoCoCo_6579593,EMOLS-id_8851519,PC-id_4770502,ZINC22_2779243,TIMTEC57780	412.401	APNXKEHJWJTWJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129016
FC(F)(F)c1cccc(CNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	PC-id_46861351,MCULE-4937294478,EMOLS-id_31548400	412.404	HUAXGGKVSUAOJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129017
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1cccc(C(F)(F)F)c1	PC-id_52340551,ZINC22_51364602	412.404	HUAXGGKVSUAOJX-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129018
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1cccc(C(F)(F)F)c1	ZINC22_51364601,PC-id_52340550	412.404	HUAXGGKVSUAOJX-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129019
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)F)C(=C)NC	PC-id_134302802,SCHEMBL19920513	412.406	YSLQQSPTUIFVML-LLVKDONJSA-N	00001010100000000000000010000000000000000000000000000000	25-01-129020
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_42990336	412.416	FQGULODHYBMKKW-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-129021
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1c([N+](=O)[O-])cccc1	PC-id_29838481	412.416	YDSCGTGQRWQISM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-129022
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2c[nH]nc2c2ccc(cc2)F)n1	EMOLS-id_316331838,MCULE-5977894101	412.418	FLWILEJUKRNESO-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129023
COCCNC(=O)c1nn2c(c1)CC(C2)NC(=O)c1c[nH]nc1c1ccc(cc1)F	MCULE-9325350139	412.418	FLWILEJUKRNESO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129024
c1(NC(=O)COc2cccnc2NC(=O)C=CC(=O)O)sc2c(CCC2)c1C#N	MCULE-9626106602	412.419	PMRMDAKMHPSYRO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129025
OC(=O)/C=C/C(=O)Nc1ncccc1OCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_321805951	412.419	PMRMDAKMHPSYRO-VOTSOKGWSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129026
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nc1)c1ccc([N+](=O)[O-])cc1)C(=O)N	PC-id_60617462	412.422	MFOMBSSEWQJNLB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129027
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nc1)c1cc([N+](=O)[O-])ccc1)C(=O)N	PC-id_60222126	412.422	KDNWLKCBQLYCPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129028
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(n2nnnc2)ccc1)C(=O)N	PC-id_18272554	412.422	GPXUPQLRGIIQMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129029
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n2ncnc2)nccc1)C(=O)N	PC-id_45779335	412.422	MUWJCRZQJRMEKQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-129030
c1(NC(=O)c2ccc(c(F)c2F)F)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1419331861,EMOLS-id_334385692	412.426	YTBTVPPAIJVQEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129031
s1c2c(CCC2)c(c1NC(=O)CNc1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_7922722	412.426	JBZOPSLNHVMEJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129032
c1(NC(=O)c2ccc(cc2)C(F)(F)F)c2CSCc2nn1CC(=O)NCCC	ZINC22_23138751,CoCoCo_5277497,MCULE-8495794359,PC-id_30862089,EMOLS-id_24913137	412.429	MJAZWIQRJCGBQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129033
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(F)(F)F)CC(=O)NCCC)C1	PC-id_44052833	412.429	RAJXRMGTGQGSFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129034
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C(F)(F)F)CC(=O)NCCC)C1	PC-id_44052834	412.429	LHVGOJLYSMNHIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129035
CC(OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)OC(=O)N1CCOCC1	SCHEMBL6353358,PC-id_69750329	412.436	QNDZMBRDZDREJM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129036
O=C(N1CCOCC1)OCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL6353359,PC-id_59047869	412.436	UZDPABHKJXRTCH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129037
COc1ccccc1NC(=O)Nc1sc2c(n1)C(=O)N(C2)Cc1ccc(cc1)F	EMOLS-id_33030426,PC-id_53188481,MCULE-9726778584	412.437	SUOQTCRLTBMNMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129038
S1C(CC(=O)Nc2ccc(F)cc2)C(=O)n2nc(nc12)COc1ccc(cc1)C	PC-id_46872016	412.437	HXWJRNDSVGXSGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129039
CCCCCc1onc(c1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_122484663,SCHEMBL18011982	412.439	VKKSJRMVSYPZFC-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129040
c1(NC(=O)c2cnccn2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	ZINC22_35596869,CoCoCo_5277809,EMOLS-id_28197484,PC-id_44053651,MCULE-1124127049	412.441	HATDOLPMXIJECR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129041
CCCCCc1nnn(c1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16618387,PC-id_117993990	412.442	GETOKEYGFHPRRD-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129042
Cc1ccccc1C(NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(F)(F)F	MCULE-7016456512,EMOLS-id_328213630	412.447	COOHAUKIQRSVNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129043
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(cc1)C(F)(F)F)C)C(=O)N	PC-id_9221691	412.449	MMUZCUWSODOTPY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-129044
c1(C(F)F)c2CCCc2n(CC(=O)N(CC)c2nc(C)c(C(=O)OCC)s2)n1	PC-id_19591258,EMOLS-id_8868062,TIMTEC238815,MCULE-8529660178,ZINC22_36614244	412.454	JIJBOMJDBANBIX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129045
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_1055707,PC-id_1246966,ChEMBL-DNDi_CHEMBL7948125,TIMTEC138878,CHEMBL1574745,EMOLS-id_2009469,CoCoCo_542943,MCULE-3613526348	412.459	FAPRTNJKDVMRLQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-129046
c1(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2190042,PC-id_1223365,STOCK2S-89838,CoCoCo_879446,MCULE-4547633297,ZINC22_999330	412.459	LGXFCBLRAWZTMB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129047
c1(NC(=O)c2cc(on2)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OC	ZINC22_27749689,MCULE-8946688048,TIMTEC229649,PC-id_35133543,EMOLS-id_10114824,CoCoCo_2255676	412.459	IYCWUGJYIZSLII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129048
c1(NC(=O)c2cc(on2)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_10106194,ZINC22_27663896,CoCoCo_2255506,MCULE-2562571455,TIMTEC607170,PC-id_17013131	412.459	ZXFKCXZYOKJSPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129049
CCOC(=O)c1c2c(CCC2)sc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1	PC-id_1419385,EMOLS-id_3002227,SPECS-id_AE-848/11420224,STOCK3S-23539,ZINC22_1305355,MCULE-7504194287,CoCoCo_3268286	412.459	LLCLTYOTKXSQIK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129050
COc1ccccc1OCc1ccc(o1)C(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_44130076,CoCoCo_4937720,PC-id_45909088,MCULE-4410352437	412.459	VWPFAYKOCGAOIS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-129051
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(O)ccc(c1)S(=O)(=O)O	MCULE-9154670369,EMOLS-id_328218488	412.459	CYGXOWMRYZESNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129052
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1ccccc1)C)C(=O)OC	PC-id_19486371	412.459	BQFBIBBMKLNWET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129053
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1c(OC)ccc(c1)C(=O)C)C#N	PC-id_8534612	412.459	BLKAFUZZVRIIBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129054
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)cc(OC)c1)C#N	PC-id_78749280	412.459	CTNSTGHLRHJHIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129055
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)cc(OC)c1)C#N	PC-id_8665005	412.459	CTNSTGHLRHJHIC-VOTSOKGWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129056
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)cc1)C#N	PC-id_1662577	412.459	KJJZFXQHUUYKBE-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129057
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)cc1)C#N	PC-id_3651982	412.459	KJJZFXQHUUYKBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129058
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1c(OC)ccc(OC)c1)C#N	PC-id_78575496	412.459	DTDOZEJKUOOKQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129059
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OC)ccc(OC)c1)C#N	PC-id_7949474	412.459	DTDOZEJKUOOKQU-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129060
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OC)cc(OC)cc1)C#N	PC-id_1667768	412.459	HTVKKNZDTHCNTK-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129061
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1c(OC)cc(OC)cc1)C#N	PC-id_4081447	412.459	HTVKKNZDTHCNTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129062
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(C(=O)CC)cc1)C#N	PC-id_16534685	412.459	DCBBAXRNHARBGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129063
CC(=Cc1occ2c1COC2)P(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL19929751	412.46	NAOLLMJPPLAAMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129064
c1(NC(=O)c2cccc(OC)c2)c2CSCc2nn1CC(=O)NCc1ccco1	EMOLS-id_24913455,PC-id_30862618,MCULE-3867069127,CoCoCo_5277716,ZINC22_23139359	412.462	XYCGTEKXNQTSKN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129065
c1(NC(=O)c2ccco2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	PC-id_30862778,MCULE-2507524707,EMOLS-id_24913565,CoCoCo_5277780,ZINC22_23139551	412.462	CLKWPDKJPAODIK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129066
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(c(OC)c3)OC)n2)/sc2c(CCC2)[nH]1	ZINC22_61717976,MCULE-1694547460,STOCK7S-12076,EMOLS-id_46561958,EMOLS-id_35783445,PC-id_52898054	412.462	BTPUSDNEYGXFAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129067
c1(NC(=O)COc2cccnc2NC(=O)C2CCCO2)sc2c(CCC2)c1C#N	EMOLS-id_321804922,MCULE-5139753296	412.462	CFZSIVZCXGOIDA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129068
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_38852637,ZINC22_31631752	412.462	UKYYLYLNGYZVBE-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129069
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_38852641,ZINC22_31631756	412.462	UKYYLYLNGYZVBE-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129070
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1[nH]nc(c1)c1ccccc1OC	PC-id_121084023	412.462	PYJVBNOVPUKJSK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129071
COc1ccccc1C(=O)Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C	PC-id_68442010,SCHEMBL2922506	412.462	SZPCPCOPAJJAKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129072
COc1ccc(cc1)C(=O)Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C	SCHEMBL2915629,PC-id_68439678	412.462	PFENLTCMMAUTFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129073
COc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68439681,SCHEMBL2915635	412.462	IPMHVRWVFWPHTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129074
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68440980,SCHEMBL2919538	412.462	CASMDDFPFAWKNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129075
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68442011,SCHEMBL2922508	412.462	DWPSXLOQKIFXQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129076
COc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68440398,SCHEMBL2917687	412.462	DBRVACGYQLXGQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129077
COc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2920718,PC-id_68441386	412.462	JTLXGZRQVKNDLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129078
COc1cccc(c1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251700	412.462	CWEFETCWPPIFBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129079
COc1cccc(c1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	PC-id_68441576,SCHEMBL2921416	412.462	BZZGVYOGDHMFPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129080
COc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(cc1)C	PC-id_68983767,SCHEMBL4278012	412.462	OISCORLHEOEACX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129081
COc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2915632,PC-id_68439680	412.462	NWAPDAISYUEBMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129082
COc1cccc(c1)C(=O)Nn1c2c(CN(C2)S(=O)(=O)Cc2ccccc2)cn1	PC-id_91001727	412.462	PJEYMLHPWYVUAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129083
N#Cc1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)N(C2)CCC(=O)OC(C)(C)C	PC-id_101102852	412.462	WRWSRNPWVUQNGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129084
NC(=O)c1c(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)sc2c1CCC2	CoCoCo_3157640,ZINC22_3378202,PC-id_2496246	412.462	LARJUURRFVPLBU-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129085
NC(=O)c1c(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)sc2c1CCC2	CoCoCo_3157641,ZINC22_3378204,PC-id_2496249	412.462	LARJUURRFVPLBU-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129086
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)COc1ccccc1	PC-id_68440325,SCHEMBL2917472	412.462	HSPGUTPZFOKPAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129087
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)COc1ccccc1	PC-id_141251723	412.462	BNOAFPGWBDZVLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129088
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)COc1ccccc1	PC-id_68441093,SCHEMBL2919861	412.462	QEZOANQNMTYZMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129089
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)COc1ccccc1	PC-id_68439758,SCHEMBL2915873	412.462	UPFHTBQKJBVXSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129090
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)NC(C1=O)Cc1ccccc1	PC-id_4001143,ChEMBL-DNDi_CHEMBL1580450,CHEMBL1580450,MCULE-5275104551	412.462	LARJUURRFVPLBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129091
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)NC(C1=O)(C)c1ccccc1	PC-id_45723445,MCULE-3426345524,EMOLS-id_31310222	412.462	UKYYLYLNGYZVBE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129092
s1c2CCCc2c(c1NC(=O)COC(=O)CCNC(=O)Nc1ccccc1)C#N	PC-id_7805381	412.462	BZDYOGABQMJEEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129093
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](NC(=O)Nc1ccccc1)C)C#N	PC-id_8887323	412.462	SWAQUUHFGLHCFA-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129094
s1c2CCCc2c(c1NC(=O)COC(=O)C(NC(=O)Nc1ccccc1)C)C#N	PC-id_84864798	412.462	SWAQUUHFGLHCFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129095
S1Cc2c(nn(c2NC(=O)c2ccc(OC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053268	412.462	NMZKMQIPFVDZFC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129096
S1Cc2c(nn(c2NC(=O)c2c(OC)cccc2)CC(=O)NCc2occc2)C1	PC-id_44053267	412.462	KWEOQYMBBCVBHK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129097
S1Cc2c(nn(c2NC(=O)COc2ccccc2)CC(=O)NCc2occc2)C1	PC-id_44053224	412.462	JTKUOSBUDGDUJD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129098
S1Cc2c(noc2NC(=O)CCCn2c(=O)cc(nc2)c2ccc(OC)cc2)C1	PC-id_49729134	412.462	POHDLPTVXRZXME-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129099
S1Cc2c(noc2NC(=O)C(n2nc(c3ccc(OCC)cc3)ccc2=O)C)C1	PC-id_49705232	412.462	YNQPAZJBJBLDDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129100
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4CCCc34)cc2)n1	MCULE-8573225278,EMOLS-id_335123906	412.465	SSFYFNVKCJXYEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129101
CC[C@@H](NC(=O)NCc1cc2c(s1)CCC2)[C@@H](O)c1ccc(C(F)(F)F)cc1	ZINC22_1875259842	412.469	JSSXYIOBXYTOQF-AEFFLSMTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129102
CC[C@H](NC(=O)NCc1cc2c(s1)CCC2)[C@H](O)c1ccc(C(F)(F)F)cc1	ZINC22_1875259843	412.469	JSSXYIOBXYTOQF-FUHWJXTLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129103
CC[C@@H](NC(=O)NCc1cc2c(s1)CCC2)[C@H](O)c1ccc(C(F)(F)F)cc1	ZINC22_1875259844	412.469	JSSXYIOBXYTOQF-SJLPKXTDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129104
CC[C@H](NC(=O)NCc1cc2c(s1)CCC2)[C@@H](O)c1ccc(C(F)(F)F)cc1	ZINC22_1875259845	412.469	JSSXYIOBXYTOQF-WMZOPIPTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129105
c1(NC(=S)Nc2ccc(cc2)OC(F)F)sc2c(CCC2)c1C(=O)OCC	MCULE-6007522400,CoCoCo_1737686,ZINC22_5092023,EMOLS-id_2973374,PC-id_2368952	412.474	YKQITFCVOBSYGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129106
s1c2c(CCC2)c(c1NC(=S)Nc1c(cc(OC(F)F)cc1)C)C(=O)OC	PC-id_20173966	412.474	DTRZJDNNBCRAGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129107
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC(F)F)ccc(c1)C)C(=O)OC	PC-id_19711611	412.474	FWPYTLJXDPMLES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129108
s1c2c(CCC2)c(c1NC(=S)Nc1c(OC(F)F)cc(cc1)C)C(=O)OC	PC-id_20172117	412.474	QVQVAYMKLUHRSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129109
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1c(F)cccc1F	PC-id_9156776	412.474	WUZJVWOWRGWDAR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129110
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1c(F)ccc(F)c1	PC-id_9370886	412.474	FNSORFMWNVLTNS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129111
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1c(F)cc(F)cc1	PC-id_9365438	412.474	OBEYCSFFCUVPHY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129112
c1(CN2CCN(CC2)c2cc(nc(SC)n2)C(F)(F)F)c2CCCc2nn1C	ZINC22_1852237723,PC-id_155941925,MCULE-6522477993,EMOLS-id_330484309	412.476	GNQQQBOPGFHMIP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-129113
s1c2CCCc2c(c1NC(=O)COC(=O)C1(CCCC1)c1ccc(F)cc1)C#N	PC-id_7866222	412.477	YSFWFJXVSMFNBI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129114
s1c2CCCc2c(c1NC(=O)COC(=O)C1(CCCC1)c1cc(F)ccc1)C#N	PC-id_16526182	412.477	RMUYNVIEBIEYGL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129115
s1c2CCCc2c(c1NC(=O)COC(=O)C1(CCCC1)c1c(F)cccc1)C#N	PC-id_8661414	412.477	ZVBUSWVAZZRHTJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129116
O=C(Cc1c(C)nn(c1C)c1ccc(cc1)F)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_44130082,MCULE-4761524031,CoCoCo_4937724,PC-id_45909092	412.48	UFJWZIPEGFJOOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129117
O=C(Cc1c(C)nn(c1C)c1ccccc1F)NNC(=O)c1sc2c(c1)CCC2	MCULE-7894789426,CoCoCo_4937719,PC-id_45909087,EMOLS-id_44130074	412.48	ANJFRJFZTVSKDC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129118
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN1CCSC1=O)C(=O)OCC	PC-id_7632098	412.48	KKRPMUVKQFEOKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129119
CC(C(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)Cc1ccccc1)C	PC-id_141257344	412.482	NMIFTIOLGNJXCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129120
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C(C)C)c1ccc(cc1)C	PC-id_141257348	412.482	UVFFJMIQFQJYFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129121
c1(C(=O)N2CCN(CC2)CC(=O)NC(C)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316324669,MCULE-7915966529	412.485	SXTHXXVFQAHFQN-SFHVURJKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-129122
c1(C(=O)N2CCN(CC2)CC(=O)NC(C)C)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-8330341620	412.485	SXTHXXVFQAHFQN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-129123
CCOc1ccccc1CN1CCNC(=O)C1CC(=O)NCc1nnc2CCCn12	PC-id_45213165,MCULE-1238070828,EMOLS-id_20585589	412.485	AKIOTUNHSLWFDM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129124
CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1nnc2n1CCC2	PC-id_25378751,CoCoCo_1396822,ZINC22_12589747,CoCoCo_1396824	412.485	AKIOTUNHSLWFDM-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129125
CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1nnc2n1CCC2	PC-id_25378755,CoCoCo_1396823,ZINC22_12589751,CoCoCo_1396825	412.485	AKIOTUNHSLWFDM-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129126
CCOC(=O)n1c2c(CN(C2)C)c(n1)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL20393353,PC-id_135234989	412.485	DTAOXOFZASQRQR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129127
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)N1CCN(CC1)CC	PC-id_21874002,SCHEMBL6503870	412.485	VVCPOQGZCJSAFU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129128
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)N1CCN(C(C1)C)C	SCHEMBL2927041,PC-id_21873996	412.485	CUJPZZWSRKXGHJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129129
COc1ccc(cc1C)CN1CCNC(=O)[C@H]1CC(=O)NCc1nnc2n1CCC2	CoCoCo_1602413,CoCoCo_1602415,PC-id_26392115	412.485	SLWVLIJNWXSGSP-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129130
COc1ccc(cc1C)CN1CCNC(=O)[C@@H]1CC(=O)NCc1nnc2n1CCC2	PC-id_26392113,CoCoCo_1602412,CoCoCo_1602414	412.485	SLWVLIJNWXSGSP-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129131
O=C1NCCN(C1CC(=O)NCc1n2CCCc2nn1)Cc1cc(c(OC)cc1)C	PC-id_45245669	412.485	SLWVLIJNWXSGSP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129132
O=C(c1sc2c(c1)C(=Cc1ccc[nH]1)C=N2)NCc1ccc(cc1)S(=O)(=O)N	PC-id_69985101,SCHEMBL7090014	412.485	KTQSLWGMHUTGQV-UHFFFAOYSA-N	00000011110000110000000010000000000000000000000000000000	25-01-129133
O=C(c1sc2c(c1)/C(=C/c1ccc[nH]1)/C=N2)NCc1ccc(cc1)S(=O)(=O)N	SCHEMBL7090005	412.485	KTQSLWGMHUTGQV-MDWZMJQESA-N	00000011110000110000000010000000000000000000000000000000	25-01-129134
O=C(NCC1(CNC(=O)c2n[nH]c3c2CCC3)CCOCC1)c1n[nH]c2c1CCC2	ZINC22_673526035	412.485	KUYKCFSUBNAJOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129135
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_7825884	412.485	NRQBIONCJTVAEV-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-129136
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCC)Cc1oc(nn1)c1occc1)C#N	PC-id_9371826	412.485	VYGWERPMWFWLOK-UHFFFAOYSA-O	00000010101000000001100010000000000000000000000000000000	25-01-129137
s1c2CCCc2c(c1NC(=O)CSc1oc(nn1)c1ccc(OC)cc1)C#N	PC-id_16496760	412.485	KYDXSXNEUHXHCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129138
CC1(c2c(CN1C(=O)CC1CC1c1ccccc1)c(n[nH]2)Nc1nc(ncc1)C#C)C	PC-id_88884014	412.487	UZUPRRAKSAAOLR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-129139
C#Cc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)CC1C[C@H]1c1ccccc1	SCHEMBL12144707	412.487	UZUPRRAKSAAOLR-DJNXLDHESA-N	00100010100000110001100010000000000000000000000000000000	25-01-129140
O=C(NCc1n2CCCc2nn1)c1c(nn(c1)Cc1ccccc1)c1ccc(cc1)C	PC-id_52375820	412.487	LFSGFWJVQIQETD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129141
CCN1CC(C)N(CC1C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1cnccn1	PC-id_71053278,SCHEMBL14038577	412.489	AKTUSOJYGYSSKI-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129142
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1cnccn1	SCHEMBL6376940,PC-id_69758624	412.489	AKTUSOJYGYSSKI-AMIUJLCOSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129143
CCN1CCN(C(C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cnccn1	PC-id_122626151,SCHEMBL18155693	412.489	LLWSCQBTQZWPNA-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129144
CCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_139982976	412.489	ORDFGEYGNVFBFL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129145
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncccn1	PC-id_66738965,SCHEMBL597610	412.489	SMRCEGXEDJDUDK-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129146
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)c1ccc(OC)cc1)C#N	PC-id_9408681	412.489	PDKGLVDKHLZABC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129147
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)c1c(OC)cccc1)C#N	PC-id_16536000	412.489	QKWHWMDMBOYRSL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129148
CCCCn1c(C)c2c(c1C)C(=O)N(CN1CCN(c3ccccc3F)CC1)C2=O	CHEMBL4473089	412.5	ZNVUJYPWKVCMTI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129149
c1(c2CCCc2sc1NCc1ccc(C)o1)C(=O)Nc1c(OC)ccc(OC)c1	BAS-03715648,MCULE-2426840451,PC-id_1166847,TIMTEC153620,ZINC22_920836,CoCoCo_306028,EMOLS-id_1439537	412.502	FRAWNWJIQOUTQJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-129150
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)Nc1ccccc1	MCULE-3650735045,TIMTEC69821,SCHEMBL20353848,PC-id_17377948,EMOLS-id_4092666	412.502	BBRBLTWAGVHCFH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129151
CCOC(=O)c1c(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)sc2CCCc12	MCULE-1623246497,EMOLS-id_327980768	412.502	BATFLBRJMZKRNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129152
NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)sc2c1CCC2	EMOLS-id_31309376,MCULE-8581120614,ZINC22_7512223,PC-id_8610678	412.502	XCBRISONBVKVJY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129153
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832865,PC-id_27524774,ZINC22_17089213	412.502	BBRBLTWAGVHCFH-LSDHHAIUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129154
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832866,ZINC22_17089214,PC-id_27524776	412.502	BBRBLTWAGVHCFH-GJZGRUSLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129155
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27524778,CoCoCo_6832867,ZINC22_17089215	412.502	BBRBLTWAGVHCFH-HUUCEWRRSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129156
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_17089216,PC-id_27524780,CoCoCo_6832864	412.502	BBRBLTWAGVHCFH-CABCVRRESA-N	00000010100010110000000010000000000000000000000000000000	25-01-129157
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(C(=O)NC2CCCC2)cccc1	PC-id_7238694	412.502	WGMWTLRIQLRHKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129158
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OCCC(C)C)cc1)C#N	PC-id_24331870	412.502	GVECUKOZAHLECV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129159
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)N	PC-id_41358772	412.502	DBMZOSHPLNZNRU-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129160
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N	PC-id_74758160	412.502	DBMZOSHPLNZNRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129161
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(C(C)(C)C)cccc1)C#N	PC-id_8701208	412.502	JUUAAJMKTKEPDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129162
s1c2CCCc2c(c1NC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1)C#N	PC-id_9328006	412.502	XQYVEMPWDKOUBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129163
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nc4c(s3)CCC4)cc12	EMOLS-id_25638921,MCULE-4770349098,ZINC22_15636676,CoCoCo_4164189,PC-id_26723215	412.504	OLWWVNMHYGTXLE-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-129164
c12c(CCC1C(=O)N1CCC(CC1)C(=O)N)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947642,EMOLS-id_12347345,MCULE-3969382061	412.505	JHOBOWOHAIRXGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129165
c1(NC(=O)C=Cc2ccccc2)c2CSCc2nn1CC(=O)NCC1CCCO1	MCULE-5039725266,PC-id_44053171	412.505	AYYFDJGILLWQCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129166
c1(NC(=O)COc2cccnc2NC(=O)C(CC)CC)sc2c(CCC2)c1C#N	EMOLS-id_321803898,MCULE-9052905398	412.505	PKMNEJDFUCEQID-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129167
c1(NC(=O)COc2cccnc2NC(=O)CCC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321809778,MCULE-6098969124	412.505	STCVTECDOISCAJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129168
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CC=C)sc2CCCc2c1C#N	EMOLS-id_331926291,MCULE-3056170555	412.505	PRMDCEVFSTYQTN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129169
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCC(C(=O)N)CC2)cc1	PC-id_40946227,ZINC22_9132361,CoCoCo_5124850	412.505	JHOBOWOHAIRXGU-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129170
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCC(C(=O)N)CC2)cc1	ZINC22_9132360,CoCoCo_5124851,PC-id_40946226	412.505	JHOBOWOHAIRXGU-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129171
COCCCN(C(=O)c1cc2n(n1)C[C@H](C2)Oc1cccnc1)Cc1cccs1	MCULE-9237199045,EMOLS-id_316253176	412.505	APAPXFDLRLREAK-SFHVURJKSA-N	00000010100100101001000010000000000000000000000000000000	25-01-129172
O=C(/C=Cc1ccccc1)Nc1c2c(nn1CC(=O)NC[C@@H]1CCCO1)CSC2	CoCoCo_5277672,ZINC22_35127743	412.505	AYYFDJGILLWQCQ-QWGSZXSUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129173
O=C(/C=Cc1ccccc1)Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2	ZINC22_35127748,CoCoCo_5277674	412.505	AYYFDJGILLWQCQ-HLRDLLSLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129174
O=C(Cn1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2)NC[C@@H]1CCCO1	CoCoCo_5277673	412.505	AYYFDJGILLWQCQ-FDMDGMSGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129175
O=C(Cn1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277675	412.505	AYYFDJGILLWQCQ-ROJDOSBLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129176
O=C(Cn1nc2CSCc2c1NC(=O)/C=Cc1ccccc1)NCC1CCCO1	EMOLS-id_45809270	412.505	AYYFDJGILLWQCQ-HJWRWDBZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129177
O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)CCn1nc(cc1C)C	CoCoCo_6453359,PC-id_35524453	412.505	HORBKFHOSYTYFE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-129178
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)C(=O)NCc1occc1)C#N	PC-id_56099276	412.505	OTPFYCOWZYIVGF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-129179
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1oc(cc1)C)C#N	PC-id_56383335	412.505	ZYKUEMWOHWKLSY-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-129180
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1ccc(OC)cc1)C)C#N	PC-id_38366567	412.505	RUQQJUTZBCTILA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129181
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1ccccc1)C(=O)N	PC-id_9223688	412.505	SHQCKWMKQZQFOE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129182
s1c2CCCc2c(c1NC(=O)CN(CC)CC(=O)Nc1ccc(OC)cc1)C#N	PC-id_2657200	412.505	PPSFTGIGCFIZQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129183
s1c2CCCc2c(c1NC(=O)CN(CC)CC(=O)Nc1cc(OC)ccc1)C#N	PC-id_9026451	412.505	NQPXIDHQBHMMFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129184
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)C(=O)C	PC-id_16947624	412.505	HGWCRGJJLDUQPN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129185
S1Cc2c(nn(c2NC(=O)C=Cc2ccccc2)CC(=O)NC[C@H]2OCCC2)C1	PC-id_30862528	412.505	AYYFDJGILLWQCQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129186
S1Cc2c(nn(c2NC(=O)C=Cc2ccccc2)CC(=O)NC[C@@H]2OCCC2)C1	PC-id_30862531	412.505	AYYFDJGILLWQCQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129187
c1(c2CCCc2sc1NC(=O)c1csnn1)C(=O)NC1CCS(=O)(=O)C1	MCULE-3739307512,TIMTEC336545,SPECS-id_AS-871/43478322,EMOLS-id_9881071,PC-id_16454235	412.507	NNCWXSOGKGAMCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129188
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2)c1csnn1	PC-id_42278686,CoCoCo_6289936,ZINC22_11914480	412.507	NNCWXSOGKGAMCC-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129189
O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1csnn1	ZINC22_11914481,PC-id_42278687,CoCoCo_6289937	412.507	NNCWXSOGKGAMCC-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129190
c1(NC(=O)CN2CCN(CC2)c2nc(CC)cc(=O)[nH]2)sc2c(CCC2)c1C#N	EMOLS-id_322526818,MCULE-6839251992	412.509	HFBUSQNUSNOKDR-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-129191
c1(NC(=O)CN2CCN(CC2)c2nc(C)c(c(=O)[nH]2)C)sc2c(CCC2)c1C#N	EMOLS-id_322525283,MCULE-8199360326	412.509	FQSDAFRYIURAJL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-129192
COc1cncc(n1)N1CCN(CC1)CCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_86959628	412.509	OFWDOLIYSWWLMX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-129193
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCC(Cc2ccccc2)CC1	ZINC22_139351778	412.523	JKIHJJNHPUGNTC-HSZRJFAPSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129194
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCC(Cc2ccccc2)CC1	ZINC22_139351913	412.523	JKIHJJNHPUGNTC-QHCPKHFHSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129195
O=C(N1CCC(CC1)Cc1ccccc1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46925744	412.523	JKIHJJNHPUGNTC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129196
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1ccc(F)cc1)c1sccc1)C#N	PC-id_74752039	412.523	AIMVNAGALZCLLW-UHFFFAOYSA-O	00000010100100110000000010000000000000000000000000000000	25-01-129197
s1c2CCCc2c(c1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1sccc1)C#N	PC-id_41198377	412.523	AIMVNAGALZCLLW-HXUWFJFHSA-O	00000010100100110000000010000000000000000000000000000000	25-01-129198
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1sccc1)C#N	PC-id_41198381	412.523	AIMVNAGALZCLLW-FQEVSTJZSA-O	00000010100100110000000010000000000000000000000000000000	25-01-129199
c1(NC(=O)CS(=O)C(CC)C(=O)OCCOCC)sc2c(CCC2)c1C#N	MCULE-5306653583,EMOLS-id_320645360	412.524	WUEFRZJKIRJNMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129200
c1(NC(=O)CS(=O)CC(=O)OCCOCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320676715,MCULE-3079893468	412.524	AULOOMKCSOOLPI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129201
Cc1c(ccc(c1)c1nn(c(c1)CC(C)C)CC(=O)N1Cc2c(C1)sc(n2)C)F	SCHEMBL15002093,PC-id_89608004	412.524	NPDSAEHYGOUGMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129202
N#Cc1c(NC(=O)CCN2CCCN(CC2)c2ccc(cc2)F)sc2c1CCC2	PC-id_87019618	412.524	VLXXZQHBELXVMZ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-129203
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1c(F)cccc1)C#N	PC-id_36037392	412.524	NAPIKRRHNYEVES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129204
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CCC1)Cc1ccc(F)cc1)C#N	PC-id_24615921	412.524	CPNQCSKKBXJRHX-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-129205
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC(=O)OCCC)C(=O)OCC	PC-id_4933532	412.524	HWHQCBWIMIMRHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129206
c1(c2CCCc2sc1N=Cc1cccs1)C(=O)Nc1ccc(cc1OC)OC	MCULE-7539982860,PC-id_5190495	412.525	PWTCDJOPJYXDJS-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129207
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)OCC	MCULE-9276320179,CoCoCo_81828,EMOLS-id_1231125,BAS-00487073,ZINC22_2904326,PC-id_2251733	412.525	ZNXGBQSSHZACOJ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129208
c1(c2CCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1OCC	PC-id_1367946,CoCoCo_735245,ZINC22_1213691,MCULE-6140572436,EMOLS-id_2123352	412.525	ALVQUNHBFIJHEH-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129209
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nc(sc1c1ccccc1)C	PC-id_43854740,MCULE-1392121877	412.525	PKVFBTOZDDPFJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129210
c1(NC(=O)Cc2csc(c3ccccc3)n2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_6261347,PC-id_9123682,CoCoCo_6415480,MCULE-4199977677,ZINC22_7995713	412.525	WAAFGEVTAVHRGN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129211
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4821225700,EMOLS-id_334342819	412.525	UVINNIIIXHWCPK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-129212
Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc4c(s3)CCC4)cs2)cc1	ZINC22_5308560,MCULE-7438510674,EMOLS-id_3397803,CoCoCo_2840913,PC-id_4782900	412.525	IKVKLFZFWPTGSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129213
COc1ccc(cc1)CN(CC1(O)CCCN(CC1)C(=O)c1n[nH]c2c1CCC2)C	BDE-30844450,PC-id_110098121,EMOLS-id_43273739,MCULE-5525775602	412.525	WHPUODMNTKOGNH-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-129214
COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1	ZINC22_257322841	412.525	WHPUODMNTKOGNH-HSZRJFAPSA-N	00000010100000110101000010000000000000000000000000000000	25-01-129215
COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1	ZINC22_257322842	412.525	WHPUODMNTKOGNH-QHCPKHFHSA-N	00000010100000110101000010000000000000000000000000000000	25-01-129216
COc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccs2)c(OC)c1	CoCoCo_6250441,ZINC22_4545636,PC-id_9611357,EMOLS-id_46388685,TIMTEC391798	412.525	PWTCDJOPJYXDJS-WSDLNYQXSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129217
COc1cc(CNC(=O)N(C2CCCC2)Cc2nn(c3c2CCC3)C)ccc1OC	PC-id_92109988	412.525	BSBHLZKHXFGGNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129218
COc1cc(OC)ccc1NC(=O)c1c(/N=Cc2cccs2)sc2c1CCC2	CoCoCo_6250442	412.525	PWTCDJOPJYXDJS-UUYOSTAYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129219
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(c2ccccc2)C)ccc1	PC-id_29358038	412.525	QUISXRDNBBRCJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129220
s1c2CCCc2cc1C(=O)NN=Cc1cc(OC)c(OCc2sccc2)cc1	PC-id_78680138	412.525	ROBAULSOZSBHNB-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129221
s1c2CCCc2cc1C(=O)OCc1nc(sc1)CC(=O)Nc1c(cccc1)C	PC-id_16505636	412.525	JBQNOXOVKDSISX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129222
s1c2CCCc2cc1C(=O)OCc1nc(sc1)N(c1cc(ccc1)C)C(=O)C	PC-id_7238687	412.525	DQNGHRXWSXCQFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129223
s1c2CCCc2cc1C(=O)OCC(=O)/N=c/1sccn1Cc1ccc(cc1)C	PC-id_7238905	412.525	AZZZQXHGTMKELF-DQRAZIAOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129224
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCC1)c1c(OC)ccc(OC)c1)C#N	PC-id_84848690	412.525	UKWZMXFXOAMVDP-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-129225
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCC1)c1c(OC)cc(OC)cc1)C#N	PC-id_84854011	412.525	KFFMQDFAGFGJDM-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-129226
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)c1c(OC)ccc(OC)c1)C#N	PC-id_8832778	412.525	UKWZMXFXOAMVDP-SFHVURJKSA-O	00000010100000110000100010000000000000000000000000000000	25-01-129227
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)c1c(OC)ccc(OC)c1)C#N	PC-id_8832786	412.525	UKWZMXFXOAMVDP-GOSISDBHSA-O	00000010100000110000100010000000000000000000000000000000	25-01-129228
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)c1c(OC)cc(OC)cc1)C#N	PC-id_8854126	412.525	KFFMQDFAGFGJDM-SFHVURJKSA-O	00000010100000110000100010000000000000000000000000000000	25-01-129229
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)c1c(OC)cc(OC)cc1)C#N	PC-id_8854133	412.525	KFFMQDFAGFGJDM-GOSISDBHSA-O	00000010100000110000100010000000000000000000000000000000	25-01-129230
s1c2c(CCC2)c(c1NC(=O)CCSC1NC(N)CC(=O)N1)C(=O)OCC	PC-id_72662875	412.527	MKQMUJTZWAVERG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129231
c1(NC(=O)c2cccs2)c2CSCc2nn1CC(=O)NCCc1ccccc1	PC-id_30862889,CoCoCo_5277826,MCULE-7777231905,ZINC22_23139673,EMOLS-id_24913645	412.528	NANRLIZHMDMEHA-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129232
c1(NC(=O)c2snnc2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	CoCoCo_2249809,PC-id_16453540,EMOLS-id_9879189,MCULE-8354913745,ZINC22_9250881,TIMTEC255459	412.528	KAPXCDODAZHTOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129233
CCNC(=NCc1cccc(c1OC1CCCC1)OC)NCc1nnc2n1CCC2	PC-id_111564650	412.528	XTJLRSRIFNSZAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129234
CCNC(=NCc1ccc(cc1OCC1CCOC1)C)NCc1nnc2n1CCC2	PC-id_109602820	412.528	QTQBKOGIBNCQKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129235
NC(=O)c1c(NC(=O)CSc2nccn2Cc2ccccc2)sc2c1CCC2	MCULE-7359812555,ZINC22_8156934,PC-id_9292329,EMOLS-id_3685647,CoCoCo_4179064	412.528	LJUGRDNICFXZMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129236
O=C(C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NCc1cn2c(n1)SCC2	GD-id_ZINC20536960	412.528	BWHZPRMKRHHCFF-WEBJUUICSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129237
O=C(Nc1sc2c(c1C(=O)C)CCC2)CSc1nnc(n1C)c1ccccc1	PC-id_141677312	412.528	AFAKNFCUXDLLPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129238
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(cccc2)C)ccn1)C(=O)N	PC-id_24500862	412.528	GDZJQBKTECEBCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129239
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(c2ccccc2)cn1)C)C(=O)N	PC-id_40510768	412.528	NBEXULKANKQGOG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129240
s1c2CCCc2c(c1NC(=O)CSC1NC(CC(=O)N1)c1ccccc1)C#N	PC-id_74253150	412.528	JLUYBZDZKIRNDN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129241
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(Cn2nccc2)cc1)C(=O)OC	PC-id_20170659	412.528	DCNQXXDQUPVXOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129242
s1c2c(CCC2)c(c1NC(=S)Nc1cc(Cn2nccc2)ccc1)C(=O)OC	PC-id_20171603	412.528	MZGXGUDJBMDIDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129243
s1c2c(CCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccccc1)C(=O)OC	PC-id_20167820	412.528	INHWURAVJPIZFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129244
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2ccccc2)cc1)C(=O)OC	PC-id_20171015	412.528	YFWMKOZAFVBDBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129245
s1c2c(CCC2)c(c1NC(=S)NCc1ccc(n2nccc2)cc1)C(=O)OC	PC-id_20170333	412.528	HYKVMCRHIIWIMZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129246
S1Cc2c(nn(c2NC(=O)Cc2sccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053358	412.528	INHQYERCKBFLHI-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129247
O=C(CC(C)(C)C)Nc1sc2c(c1C(=O)N1CCC(CC1)(F)F)C(CC2)(C)C	PC-id_71459578,BindingDB_PC-id_71459578	412.537	YAPKXFBMWACFBF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-129248
c1(NC(=O)Cc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1953658907,EMOLS-id_334332845	412.545	HCTPVDJRZBLWFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129249
c1(NC(=O)CCc2ccccc2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335916,MCULE-4770550069	412.545	AAYLOYSPBGQBKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129250
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cc3c(s2)CCC3)c1C	CoCoCo_3215198,PC-id_7998862,ZINC22_6553197	412.545	SMZGLMGRAZPDPR-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129251
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cc3c(s2)CCC3)c1C	PC-id_40625014,CoCoCo_3215199,ZINC22_6553186	412.545	SMZGLMGRAZPDPR-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129252
CCOC(=O)c1c(NC(=O)CN2CCC(CC2)c2ccccc2)sc2c1CCC2	SCHEMBL6203018,PC-id_69702231	412.545	HHFOANFVEDHGOO-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-129253
CN[C@@H]1Cc2c(C1)c(sc2C(=O)CCc1ccc(cc1)CN1CC(C1)C(=O)O)C	PC-id_143295727	412.545	KTFPSAFTRUCAMA-SFHVURJKSA-N	00001010100000110000000010000000000000000000000000000000	25-01-129254
COC(=O)c1c(NC(=O)CN2CCC(Cc3ccccc3)CC2)sc2c1CCC2	ZINC22_3440117,PC-id_2559999,MCULE-7835729480,EMOLS-id_45723534	412.545	MHWUCBLPHKUENY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129255
O=C(Nc1cccc(c1C)C)CN(C(=O)c1sc2c(c1)CCC2)CC1CCCO1	EMOLS-id_2879162,PC-id_16231356,MCULE-2838897438	412.545	SMZGLMGRAZPDPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129256
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1ccccc1C	ZINC22_22576972,PC-id_3583062,TIMTEC99636,CoCoCo_6724006,CoCoCo_6724007,MCULE-9364480480,EMOLS-id_2785388	412.548	CISXNPSOYFONRF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129257
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1cccc(C)c1	PC-id_3428557,TIMTEC405530,CoCoCo_6724279,CoCoCo_6724278,EMOLS-id_2785848,MCULE-6612625745,ZINC22_22576982	412.548	QMAXCASFQBNEKH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129258
O=C(C1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1c2CSCc2nn1C(C)(C)C	PC-id_18562015,MCULE-1361811125,EMOLS-id_5530907	412.548	HDNJNQYTJPBAQK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129259
O=C([C@H]1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1c2CSCc2nn1C(C)(C)C	CoCoCo_5065562,PC-id_7200107	412.548	HDNJNQYTJPBAQK-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129260
O=C([C@@H]1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1c2CSCc2nn1C(C)(C)C	PC-id_7200106,CoCoCo_5065561	412.548	HDNJNQYTJPBAQK-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129261
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[NH2+][C@H](c1cccs1)c1ccccc1	PC-id_9050706,GD-id_ZINC07924322	412.548	NVKWVFAZBUGPIX-IBGZPJMESA-O	00000010100100110000000010000000000000000000000000000000	25-01-129262
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1cc(ccc1)C)C)C(=O)N	PC-id_46662891	412.548	QGKOKVVCDZGNPJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129263
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C(=O)N	PC-id_60468301	412.548	ZKFNYFSHKXUXIO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129264
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1ccccc1)C)C(=O)N	PC-id_46646710	412.548	VKWXVUOIBZVZMS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129265
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(ccc1)C)C(=O)N	PC-id_46807840	412.548	XABWVXQYZZQKNE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129266
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1ccccc1)c1sccc1)C(=O)N	PC-id_84914961	412.548	NVKWVFAZBUGPIX-UHFFFAOYSA-O	00000010100100110000000010000000000000000000000000000000	25-01-129267
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1ccccc1)c1sccc1)C(=O)N	PC-id_9050710	412.548	NVKWVFAZBUGPIX-LJQANCHMSA-O	00000010100100110000000010000000000000000000000000000000	25-01-129268
S1Cc2c(NC(=O)C3CCCCC3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053806	412.548	GRELYQPZSZJYIH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129269
S1Cc2c(NC(=O)CC3CCCC3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053808	412.548	XBRSXHDTQYGRNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129270
S1Cc2c(NC(=O)CC3CCCCC3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053385	412.548	IWBCOSQIWFETPJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129271
S1Cc2c(NC(=O)CCC3CCCC3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053386	412.548	XTAMYQNAXFCIIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129272
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC)nn1)C(=O)OCC	PC-id_8348814	412.55	XHBQZKMBESOUTH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129273
S(=O)(=O)(N1CC[NH+](CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)N(C)C	PC-id_33412514	412.55	MNIMELRQUJQGMF-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-129274
c1(NC(=O)CSc2scc(c3ccc(N)cc3)n2)sc2c(CCC2)c1C#N	EMOLS-id_324894048,MCULE-6338496480	412.552	ZALDKJRVHBTYHP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129275
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCC1(CCCC1)c1ccccc1	EMOLS-id_328214396,MCULE-2995217316	412.566	WSZDEMSBRBMUDK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129276
c1(c2CCCc2sc1NCc1sccc1C)C(=O)Nc1ccccc1OCC	EMOLS-id_1439579,ZINC22_920870,MCULE-3133843849,BAS-03715678,CoCoCo_306049,PC-id_1166874,TIMTEC80076	412.568	BMYAGJCMGWVZSS-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129277
s1c2c(CCC2)cc1C(=O)N(CC(=O)N1CC[NH+](CC1)Cc1cc(ccc1)C)C	PC-id_9462338	412.568	HULHFMXXKFKGIX-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129278
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCCC1)C)C(=O)Nc1cc(ccc1)C	PC-id_78468170	412.568	ZJNGICXZKOIDTB-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-129279
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)Nc1cc(ccc1)C	PC-id_7280793	412.568	VREGBMGZNYXOBI-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-129280
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCCC1)C)C(=O)Nc1cc(ccc1)C	PC-id_7280788	412.568	ZJNGICXZKOIDTB-MRXNPFEDSA-O	00000010100010110000000010000000000000000000000000000000	25-01-129281
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCCC1)C)C(=O)Nc1cc(ccc1)C	PC-id_7280790	412.568	ZJNGICXZKOIDTB-INIZCTEOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-129282
s1c(NC(=O)[C@@H]([NH+]2CCC(CC2)Cc2ccccc2)C)c(c2c1CCC2)C(=O)N	PC-id_9430641	412.568	GDVNKABAGGTBRN-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-129283
s1c(NC(=O)[C@H]([NH+]2CCC(CC2)Cc2ccccc2)C)c(c2c1CCC2)C(=O)N	PC-id_9430643	412.568	GDVNKABAGGTBRN-OAHLLOKOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-129284
s1c(NC(=O)C([NH+]2CCC(CC2)Cc2ccccc2)C)c(c2c1CCC2)C(=O)N	PC-id_85008129	412.568	GDVNKABAGGTBRN-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-129285
s1c(NC(=O)C[NH+](C2CC2)Cc2ccc(cc2)C(C)C)c(c2c1CCC2)C(=O)N	PC-id_8915689	412.568	XBAMXJJFPXGJMZ-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-129286
CCCCCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCC2)NCC	PC-id_109612588	412.572	QFXFWQIMTCKHMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129287
CCNC(=NCc1ccc(cc1OCCCC(C)C)C)NCc1nnc2n1CCC2	PC-id_109709123	412.572	CKBPTMXZAFGMGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129288
CCNC(=NCc1ccc(cc1OC(CC(C)C)C)C)NCc1nnc2n1CCC2	PC-id_109743567	412.572	ZBJQSLUPQMFJMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129289
Cc1ccc(cc1)C(CNC(=O)c1c(c2c(s1)CCC2)OC)N1CCCCCC1	PC-id_91956524	412.588	JIAPUCMPXRWSGQ-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-129290
Brc1cc(sc1Br)C(Cl)c1sc2c(CCC2)c1	PC-id_80534427	412.591	BKLYDFVLHVVSJQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-129291
Brc1sc(Br)cc1C(Cl)c1sc2c(CCC2)c1	PC-id_63436303	412.591	ZREOMAQXYTUMEE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-129292
BrC(c1sc2c(CCC2)c1)c1sc(Br)c(Cl)c1	PC-id_80532430	412.591	IMSRDKJZYPUKRX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-129293
BrC(c1sc(c(c1)Br)Cl)c1sc2c(c1)CCC2	PC-id_102837092	412.591	TYHLTNQRFRDSLA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-129294
CC1(CCC2(C(C1)N2)C(=C1C=c2c(=N1)cc(s2)N(C)C(=O)C1CCCCC1)N)C	PC-id_90077497	412.591	PHGONNTZEKWRQI-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-129295
CCOC[C@]1(CCc2sc3c(c2)CCC3)CCN(C1)C(c1ccc(nc1)C)(C)C	SCHEMBL20493418,PC-id_135323060	412.631	VBTMGPWQWBQVNG-RUZDIDTESA-N	00000010100000101000000010000000000000000000000000000000	25-01-129296
CCOCC1(CCc2sc3c(c2)CCC3)CCN(C1)C(c1ccc(nc1)C)(C)C	SCHEMBL20493420,PC-id_135323062	412.631	VBTMGPWQWBQVNG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129297
O=CC1CCCCC1C(=C)Nc1sc2c(c1C(=C)NC1CCC(CC1)C)CCC2	PC-id_142393463	412.631	OQWSUGXVSNWNKU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-129298
Clc1cccc(c1C(=O)n1nc(c2c1CCC2)I)C1CC1	SCHEMBL18810290	412.653	CISAKYLUZUKXMB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-129299
c1(NC(=O)Cn2cc(cc(Br)c2=O)Cl)sc2c(CCC2)c1C#N	MCULE-5809338551,EMOLS-id_327734584	412.689	LOYLHGYHQHACHX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129300
c1(NC(=O)Cn2cc(cc(Cl)c2=O)Br)sc2c(CCC2)c1C#N	MCULE-1555132470,EMOLS-id_327731250	412.689	BXEXWEZCXMZPNT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129301
CC[Si](c1cc(C)cc(c1O)C(C)(C)C)(C1c2sc(cc2C(=C1C)C)C)CC	PC-id_139102317	412.703	SMOQYILGGCZHKE-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-129302
NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)Cl	SCHEMBL18758619	412.717	WSLFHHNQPYVCNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129303
Brc1sc(S(=O)(=O)NCc2sc3c(CCC3)c2)cc1Cl	PC-id_80578603	412.773	OLWBFQBHNBHCDM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-129304
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1cc(Cl)ccc1F	MCULE-6171651941	412.845	TUQZPRHYUJQVOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129305
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cc(Cl)ccc1F	MCULE-2024412561,EMOLS-id_316256246	412.845	TUQZPRHYUJQVOL-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129306
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(Cl)O)Nc1nc(CC)ncc1F	SCHEMBL19201028	412.846	DXNUOOHDPOUCOL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-129307
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CHEMBL1510171,ChEMBL-DNDi_CHEMBL1510171,CoCoCo_2666500,MCULE-5621060951,PC-id_3533089,ChEMBL-DNDi_CHEMBLF0541-0058,EMOLS-id_22702284,ZINC22_3008418	412.848	OOXHIXCROWAHPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129308
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_4174561,EMOLS-id_22702276,CoCoCo_2666495,CHEMBL1461702,ZINC22_3008413,MCULE-6985402338	412.848	IXAISCXIZSLWGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129309
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_2666496,CHEMBL1578816,ChEMBL-DNDi_CHEMBL1578816,MCULE-6110271246,PC-id_5204592,ZINC22_3008414,EMOLS-id_22702278	412.848	RWRRWICJOOQGCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129310
c1(N(=O)=O)nn(c(C)c1Cl)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	BAS-00924111,SPECS-id_AK-968/12098790,EMOLS-id_1293915,ChEMBL-DNDi_CHEMBL5845000,PC-id_1111084,CoCoCo_153826,STOCK2S-29413,ZINC22_845099,MCULE-1367572644	412.848	AYJHKKWVYOSEBQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129311
C1Cc2c(C1)sc(c2C#N)/N=C/c1c(n(c(=O)[nH]c1=O)c1ccc(cc1)Cl)O	PC-id_135451332	412.85	JOUBSRIBWHWSAU-LSFURLLWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129312
C1Cc2c(C1)sc(c2C#N)/N=C/c1c(n(c(=O)[nH]c1=O)c1cc(ccc1)Cl)O	PC-id_135467620	412.85	YBJIBMKRTMDVCH-LSFURLLWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129313
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(cc3)Cl)n2)sc2c(CCC2)c1C#N	MCULE-3510985822,EMOLS-id_322819115	412.85	PCOWAKFWROQLBO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129314
Clc1ccc(N2C(=O)/C(=C/Nc3sc4CCCc4c3C#N)/C(=O)NC2=O)cc1	CoCoCo_6897165,PC-id_5568733,CoCoCo_6897163,CoCoCo_167683	412.85	ILFBOEKFDMFCQL-NTEUORMPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129315
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)Cl)c2=O	MCULE-3548011248	412.85	BSUGKVRXZAJQBL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129316
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)Cl)c2=O	MCULE-4920777917	412.85	YYMDEKPIUFECAQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129317
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O	MCULE-8189133289	412.85	WGYQJKNJDWZDGT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129318
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCc1ccccc1	MCULE-3564649453	412.85	CFKFZNRVHCAWLE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129319
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1)c2=O	MCULE-9994397485	412.85	LBJGFKLLCZTVOY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129320
n1(c2ccccc2Cl)c(=O)cc(c(C(=O)Nc2sc3c(CCC3)c2C#N)n1)O	EMOLS-id_322818091,MCULE-9591959691	412.85	WOOOXAHGDRPRCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129321
N1(c2ccc(cc2)Cl)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=O)NC1=O	PC-id_5442524,MCULE-6791506553	412.85	ILFBOEKFDMFCQL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129322
N1(c2cccc(Cl)c2)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=O)NC1=O	PC-id_5454202,MCULE-8382597201	412.85	NKBVEHZOEWDLIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129323
N#Cc1c(N/C=C/C(=NC(=O)N(C2=O)c2ccc(cc2)Cl)O)sc2c1CCC2	BAS-01095867,CoCoCo_6897162,CoCoCo_167682,SPECS-id_AG-690/12949031,EMOLS-id_1307700,ZINC22_5522264,TIMTEC218143,CoCoCo_6897164	412.85	ILFBOEKFDMFCQL-ZROIWOOFSA-N	00000010100011110001100010000000000000000000000000000000	25-01-129324
N#Cc1c(N=CC2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)sc2c1CCC2	PC-id_145921331	412.85	CLGXFGVHVBIEBH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129325
N#Cc1c(N/C=C/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)sc2c1CCC2	TIMTEC333921,ZINC22_15930175	412.85	NKBVEHZOEWDLIR-ZROIWOOFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129326
O=C(COc1ccccc1/C=c/1sc2ncnn2c1=O)Nc1ccc(Cl)cc1	ZINC22_47154576	412.85	WGYQJKNJDWZDGT-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129327
O=C(COc1ccc(/C=c/2sc3ncnn3c2=O)cc1)Nc1ccc(Cl)cc1	ZINC22_256055913,PC-id_117588510	412.85	YYMDEKPIUFECAQ-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129328
O=C(COc1cccc(/C=c/2sc3ncnn3c2=O)c1)Nc1ccc(Cl)cc1	ZINC22_256055320,PC-id_117588441	412.85	BSUGKVRXZAJQBL-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129329
O=C(COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O)Nc1ccccc1	PC-id_117588385,ZINC22_256055555	412.85	LBJGFKLLCZTVOY-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129330
[O-][N+](=O)c1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)ccc1Cl	EMOLS-id_324838139	412.85	CFKFZNRVHCAWLE-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129331
c1(NC(=O)c2c(cccc2Cl)F)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862312,EMOLS-id_24913303,CoCoCo_5277586,ZINC22_23138995,MCULE-9032525371	412.866	HVLZRFMHMPIDAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129332
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)ccc(F)c1	PC-id_44053049	412.866	TYHNENGMYCPVOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129333
Clc1ccc(COc2c(OC)cc(C(=O)NCc3n4CCCc4nn3)cc2)cc1	PC-id_52375815	412.869	MPTKWPVUGNXJTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129334
Clc1cc(NC(=O)CC2n3nc(SCc4ccccc4)nc3N=C2[O-])ccc1	PC-id_75667883	412.873	RVWLTGCJYUTKTJ-UHFFFAOYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-129335
Clc1cc(NC(=O)C[C@H]2n3nc(SCc4ccccc4)nc3N=C2[O-])ccc1	PC-id_51526440	412.873	RVWLTGCJYUTKTJ-OAHLLOKOSA-M	00000011100000110001000010000000000000000000000000000000	25-01-129336
Clc1cc(NC(=O)C[C@@H]2n3nc(SCc4ccccc4)nc3N=C2[O-])ccc1	PC-id_51526441	412.873	RVWLTGCJYUTKTJ-HNNXBMFYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-129337
CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1nn2c(c1C)CCC2	PC-id_141731689	412.873	LXRHTFABAHVHJM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-129338
O=C(NCCc1nnc2n1CCC2)Nc1ccc(OCc2ccccn2)c(Cl)c1	EMOLS-id_43405183,PC-id_72104298,MCULE-3264537488,ZINC22_79019634	412.873	INXFHMRDARQXFR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-129339
c1(NC(=O)C=Cc2ccc(c3ccc(cc3)Cl)o2)sc2c(CCC2)c1C(=O)N	MCULE-3470876072,PC-id_72178787	412.889	LHNAXNQMORAXEW-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-129340
Clc1ccc(nc1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331275882	412.889	BPNDNTRLCZJIQS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-129341
Clc1c(C(=O)c2c3CN(Cc3sc2N)C(=O)OCc2ccccc2)cccc1	PC-id_18995687,SCHEMBL7512927	412.889	DMZQXUPBITUDKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129342
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3)o2)sc2c1CCC2	EMOLS-id_26686107,SPECS-id_AN-153/J107654,CoCoCo_1890983,ChemDIV7840-5241,ZINC22_12651168,PC-id_17027154	412.889	LHNAXNQMORAXEW-PKNBQFBNSA-N	00000010101000110000100010000000000000000000000000000000	25-01-129343
O=C(Nc1sc2c(c1C(=O)N)CCC2)/C=Cc1ccc(o1)c1ccc(cc1)Cl	CoCoCo_1890984	412.889	LHNAXNQMORAXEW-LUAWRHEFSA-N	00000010101000110000100010000000000000000000000000000000	25-01-129344
c1(C(=O)NCCOC)cc2n(C[C@@H](NS(=O)(=O)Cc3ccccc3Cl)C2)n1	MCULE-1592830309,EMOLS-id_316335409	412.891	YHOPOZKQPPULAA-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129345
c1(C(=O)NCCOC)cc2n(C[C@@H](NS(=O)(=O)Cc3ccc(cc3)Cl)C2)n1	MCULE-9844249495,EMOLS-id_316335921	412.891	XCLGGPCYVDNPJC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129346
c1(C(=O)NCCOC)cc2n(CC(NS(=O)(=O)Cc3ccccc3Cl)C2)n1	MCULE-5626744507	412.891	YHOPOZKQPPULAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129347
c1(C(=O)NCCOC)cc2n(CC(NS(=O)(=O)Cc3ccc(cc3)Cl)C2)n1	MCULE-8457651021	412.891	XCLGGPCYVDNPJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129348
c1(C(=O)NCCOC)cnn2C[C@@H](NS(=O)(=O)Cc3ccccc3Cl)Cc12	EMOLS-id_317419631,MCULE-8285716685	412.891	NGCGAVSECOVUOD-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129349
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)Cc1nccnc1	PC-id_135187037,SCHEMBL20339089	412.893	ONZDVCBLRLDMJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129350
Cc1c(c(=O)n([nH]1)c1cc(c(cc1)Cl)OC)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135628597	412.893	VYGGFRKOMWMJCW-AUEPDCJTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129351
Cc1c(c(=O)n([nH]1)c1cc(c(cc1)Cl)OC)C=Nc1c(c2c(s1)CCC2)C#N	PC-id_136698087	412.893	VYGGFRKOMWMJCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129352
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2cccnc2)cc1	PC-id_16947381	412.893	IJLFVFLZXAMXKQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-129353
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2ccncc2)cc1	PC-id_16947465	412.893	FRJIPOPEKJXTIY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-129354
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2ncccc2)cc1	PC-id_16947382	412.893	XDPLIEXYVKIARD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-129355
CN(C)c1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324882948	412.893	HARMUMDRYMRZBF-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129356
CN(C)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324845304	412.893	ZSMIUBLOXWYYFF-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129357
COc1cc(ccc1Cl)N1N=C(C)/C(=CNc2sc3CCCc3c2C#N)/C1=O	ZINC22_101128472,EMOLS-id_49390319	412.893	IZDHMYUAUXKRLF-XNTDXEJSSA-N	00000011100000110001100010000000000000000000000000000000	25-01-129358
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)COc1ccccc1Cl	MCULE-2680900766	412.893	HARMUMDRYMRZBF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129359
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)COc1ccc(Cl)cc1	MCULE-5333507590	412.893	ZSMIUBLOXWYYFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129360
N1(c2ccc(c(OC)c2)Cl)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	PC-id_45919783,MCULE-3817893199	412.893	IZDHMYUAUXKRLF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-129361
Clc1c(CNC(c2n3CCCc3nn2)C)c(OCc2cc(OC)ccc2)ccc1	MCULE-8709527093,EMOLS-id_48329369,PC-id_75450503	412.912	VNEQXLBWUWSJMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129362
COc1cccc(COc2cccc(Cl)c2CN[C@H](C)c2nnc3n2CCC3)c1	PC-id_97261639,ZINC22_95467777	412.912	VNEQXLBWUWSJMK-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129363
COc1cccc(COc2cccc(Cl)c2CN[C@@H](C)c2nnc3n2CCC3)c1	ZINC22_95467776,PC-id_97261638	412.912	VNEQXLBWUWSJMK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129364
O=C(c1n[nH]c2c1CCC2)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1	ZINC22_1875326629,PC-id_146147630	412.913	GQCNLHBAQYPBAQ-ZWKOTPCHSA-N	00100010100000110101100010000000000000000000000000000000	25-01-129365
c1(c(Cl)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OC	TIMTEC324687,PC-id_19580266,EMOLS-id_4093236,ZINC22_2797173,MCULE-7978163532	412.914	MZUNCEOLGOZIHI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129366
Clc1c(Cn2nc(c(c2C)C=NNC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_85015406	412.936	QAXUJPFIBBMSER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129367
Clc1n(nc(c1C=NNC(=O)c1sc2CCCc2c1)C)Cc1ccc(cc1)C	PC-id_85015440	412.936	XOHFYGFUHCHUSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129368
Clc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_20174366	412.957	KKPJUSCXLRXMMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129369
Clc1c(n(nc1)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_20174509	412.957	ARUAITPIQPUZOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129370
Cn1cc(cn1)C(=O)N1Cc2c(C1)nc([nH]2)C(=N)c1c(cc(cc1)Br)N	PC-id_163860517	413.06	FDUKNVKSFDXHBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129371
Brc1c2n(CCC2C(=O)O)c(c1Br)C(=O)c1ccccc1	PC-id_15580632,SCHEMBL11005654	413.061	RHQKRDARMJYWKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129372
Brc1c2n(CCC2C(=O)O)c(c1)C(=O)c1c(Br)cccc1	PC-id_20404971,SCHEMBL11000401	413.061	WBPSUMDQZZLJNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129373
Brc1c(n2CCC(c2c1)C(=O)O)C(=O)c1ccc(Br)cc1	SCHEMBL11064934,PC-id_20456523	413.061	MYLVOBGTOQDKLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129374
CCN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=C(C=C(C=C4)F)F)[N+](=O)[O-])C=N1	PC-id_162190869	413.13	OXKJBNOEEAJGRI-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-129375
CCN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=C(C=C(C=C4)F)F)[N+](=O)[O-]	PC-id_162190868	413.13	IATFLFSSHDVNCY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-129376
COC(=O)[C@H](CC1=CC(=CC(=C1)F)F)NC(=O)CN2C3=C(CCC3)C(=N2)C(F)F	PC-id_154628823	413.136	CQHWUYSLMGSDDI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129377
COCCN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=C(C=C(C=C4)F)F)N	PC-id_152810316	413.166	SQMMQYDJHIPPJW-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-129378
[Sn]1(Sc2sc(=O)sc2S1)(CCCC)CCCC	PC-id_10927775	413.221	ZFKQAXAUUYARAU-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-129379
CC1=C(C=C(C=C1)F)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587073	413.223	QBTBTIWDHSYYID-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-129380
C[C@H]1C[C@@H]1NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(nc(n1)OC)N1CC1C	PC-id_163646565	413.229	IISGITGFMHYAKE-PVXZPCLASA-N	00100010100000100001100010000000000000000000000000000000	25-01-129381
c1(NC(=O)c2ccc(cc2)I)sc2c(CCC2)c1C(=O)O	MCULE-9784603983,ZINC22_8387402,PC-id_1037902,EMOLS-id_4469782,CoCoCo_6876732,SPECS-id_AE-848/12123140,STOCK2S-94180	413.23	BLGFMSNTBBHLGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129382
Ic1cc(c(NC(=O)c2sc3CCCc3c2)cc1)C(=O)O	PC-id_45345674	413.23	QKVMJJXKJQAGFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129383
Ic1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)ccc1	PC-id_43145443	413.23	VVJYCTUBBMPPMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129384
Ic1c(C(=O)Nc2sc3c(CCC3)c2C(=O)O)cccc1	PC-id_43328029	413.23	HVQLOZWNCWOCQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129385
CCOC(=O)n1nc(c2c1CNC2)NCc1c(Br)ccc(c1F)OC	PC-id_118482101,SCHEMBL17221249	413.242	SFQLEQZQARDDFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129386
NC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)o2)sc2c1CCC2	PC-id_5138279,EMOLS-id_3382845,MCULE-3695839837,ZINC22_9120578,CoCoCo_2917434	413.243	BOHBJNGTLVNLFE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-129387
Brc1cc(F)c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_7631308	413.261	PHHSJMFTDILBAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129388
Brc1cc(F)c(OCC(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_26872447	413.261	ZCRQRAPNMDDEJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129389
Brc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(F)c1	PC-id_32044188	413.261	NPKBTGJUXQNGKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129390
FC(F)(F)Oc1ccc(c2oc(=O)n(n2)CC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	SCHEMBL5541943,PC-id_69481261	413.265	ARIMZTCDOIKLGD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129391
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)ccc(Cl)c1	PC-id_7521505	413.275	ITGIBMIBOZRHQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129392
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc(Cl)cc1	PC-id_7521507	413.275	ZECCLEOBMIXOIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129393
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(Cl)c1	PC-id_7862859	413.275	MHDONOUBKJBDEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129394
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(Cl)ccc1	PC-id_3918533	413.275	NFOZEQHFKYJHCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129395
NC(=O)c1c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)sc2c1CCC2	MCULE-6957929410,EMOLS-id_3552029,CoCoCo_2921579,PC-id_8234108,ZINC22_7108423	413.275	YHDXIERHBPJBFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129396
NC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2	PC-id_5109707,MCULE-6362719652,ZINC22_6060398,EMOLS-id_3463188,CoCoCo_3046253	413.275	LNELUOJCVNXWNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129397
NC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2	PC-id_5009418,CoCoCo_2921719,EMOLS-id_3488735,ZINC22_7007621,MCULE-2801176058	413.275	CTAXUWCDBRLPTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129398
NC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCC2	EMOLS-id_43723644,ZINC22_3284309,MCULE-4751510762,CoCoCo_2922059,PC-id_2399851	413.275	FJPHIRJJBCAAGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129399
Fc1cc(Br)ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1736637591,EMOLS-id_328218741	413.283	VPQFTPRPMNOPPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129400
c1(sc2c(CCC2)n1)NC(=O)c1cc(OC)c(c(OC)c1Br)OC	MCULE-5272976111,PC-id_84559042,EMOLS-id_181475627	413.286	LFNXPOQHTPQRPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129401
Brc1ccc(c2oc(C(=O)Nc3sc4CCCc4c3C#N)cc2)cc1	PC-id_4511745	413.288	SXYGFAZHPPRXRE-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-129402
c1(NC(=O)c2ccc(Br)o2)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277510,PC-id_30862125,ZINC22_23138787,MCULE-2891960330,EMOLS-id_24913161	413.289	CEGIFAAASFWHGJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-129403
CC(=CC(=O)c1c2CCCc2c(s1)C(=O)OC)c1cc(c(c(c1)Cl)F)Cl	PC-id_89759469	413.29	MVEPTDHRFOZQJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129404
COC(=O)c1sc(c2c1CCC2)C(=O)/C=C(c1cc(Cl)c(c(c1)Cl)F)/C	SCHEMBL15199024	413.29	MVEPTDHRFOZQJF-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129405
COC(=O)c1sc(c2c1CCC2)C(=O)/C=C(/c1cc(Cl)c(c(c1)Cl)F)C	SCHEMBL15199068	413.29	MVEPTDHRFOZQJF-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129406
Brc1ccc(o1)C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC30214065	413.309	GDXOHBUWWYKPGR-UHFFFAOYSA-O	00000010101000000000000010000000000000000000000000000000	25-01-129407
CC(CC(=O)c1c2CCCc2c(s1)C(=O)OC)(c1cc(cc(c1)Cl)Cl)O	SCHEMBL15199012,PC-id_89759457	413.315	BEFRXNPCQXGZTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129408
Clc1c([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc(F)c(Cl)c1	PC-id_9377839	413.316	OFIFBWBJCKLTLL-VIFPVBQESA-O	00000010100000110000000010000000000000000000000000000000	25-01-129409
Clc1c([C@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc(F)c(Cl)c1	PC-id_9377841	413.316	OFIFBWBJCKLTLL-SECBINFHSA-O	00000010100000110000000010000000000000000000000000000000	25-01-129410
Clc1c(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)C)cc(F)c(Cl)c1	PC-id_84995910	413.316	OFIFBWBJCKLTLL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-129411
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)N	PC-id_84417639,EMOLS-id_181348374,MCULE-3240244686	413.318	ITCBVKWBVRLUSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129412
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-1636881846,EMOLS-id_334328031	413.318	SYPDUNIQQTYVBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129413
c1(NC(=O)c2ccc(cc2Cl)Cl)c2CSCc2nn1CC(=O)NCCC	MCULE-6835105080,PC-id_30862172,ZINC22_23138837,EMOLS-id_24913193,CoCoCo_5277527	413.321	AGYOTFLZVJIVGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129414
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc(Cl)cc1	PC-id_44052893	413.321	JFMBPEAIAOZTPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129415
c1(NC(=O)CS(=O)Cc2c(cccc2Cl)Cl)sc2c(CCC2)c1C#N	MCULE-8047535894,EMOLS-id_320678763	413.341	KIOUXXNGDRPEFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129416
c1(NC(=O)CS(=O)Cc2ccc(Cl)cc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_320679019,MCULE-2376131838	413.341	FOCKRRBSOYHGQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129417
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1cc(Cl)c(cc1)Cl	EMOLS-id_186602665,MCULE-5661716087	413.341	FINDCRSCQVDZCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129418
Clc1cc(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1Cl	PC-id_9251640	413.341	NENREWGBHVUFCD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-129419
Clc1c([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_9254423	413.341	KTCILLJAAXYIMR-VIFPVBQESA-O	00000010100000110000000010000000000000000000000000000000	25-01-129420
Clc1c([C@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_9254427	413.341	KTCILLJAAXYIMR-SECBINFHSA-O	00000010100000110000000010000000000000000000000000000000	25-01-129421
Clc1c(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_84964223	413.341	KTCILLJAAXYIMR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-129422
Clc1c(C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_9197027	413.341	HOPPGKKWLWWCFS-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-129423
Brc1sc(CCCC(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_24514581	413.352	OHFBOZICIGBYBG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-129424
c1(C(F)(F)F)c2CCCc2nn1CCCNS(=O)(=O)c1cnn(C(F)F)c1	MCULE-2390139910,ZINC22_36614879,EMOLS-id_8869562,PC-id_19614862,TIMTEC562156	413.366	XYYVWCAPSBFAOC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129425
C[C@H]1CCN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19609369	413.369	DXJJGRHYOAPJQL-NUHJPDEHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-129426
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F)C1CC1	PC-id_24772158,SCHEMBL2162613	413.386	UCSMMTAMDVIONV-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-129427
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN(c1ccc(cc1)C(F)(F)F)C	PC-id_23081470,SCHEMBL5547162	413.394	OIBSZQBDOOTCCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129428
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN(c1ccc(cc1)C(F)(F)F)C	PC-id_69482745,SCHEMBL5547158	413.394	OIBSZQBDOOTCCL-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129429
c1(NC(=O)COc2nonc2C(=O)NCc2ccco2)sc2CCCc2c1C#N	EMOLS-id_333716028,MCULE-6175343443	413.407	GCMTXIWRIFHHAN-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-129430
S(=O)(=O)(N1Cc2c([nH]nc2NC(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1	PC-id_71477872	413.407	YMVSQAIBVCYVLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129431
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(F)(F)F)C(=O)OCC	PC-id_7467517	413.411	LXMMCQXMZQNMGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129432
C1CN(CCC1c1ccccc1C(F)(F)F)C(=O)c1n[nH]c2c1CS(=O)(=O)C2	PC-id_137456361,SCHEMBL20695686	413.414	VSKJOCMQJWYFMZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129433
C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)s2)CCN1C(=O)c1occ2c1CCC2	ZINC22_2325828729	413.414	PKOSSSKVAUSEFI-JTQLQIEISA-N	00000010100010000001000010000000000000000000000000000000	25-01-129434
C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)s2)CCN1C(=O)c1occ2c1CCC2	ZINC22_2325828730	413.414	PKOSSSKVAUSEFI-SNVBAGLBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129435
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324915215	413.416	UJRZBWNGBVWGLF-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-129436
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324915727	413.416	YINWRRDETNPWBB-ATRNFBLSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129437
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)C=Cc1ccc(cc1)C	MCULE-1067177600	413.416	YINWRRDETNPWBB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129438
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)C=Cc1ccc(cc1)C	MCULE-4604834369	413.416	UJRZBWNGBVWGLF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129439
O1C2(C(CC2O)C(O)C1O)COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_77954636	413.421	LOAXUEZOWGYQSP-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-129440
O1C2(C(C[C@H]2O)C(O)[C@H]1O)COC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL13494076,PC-id_70919683	413.421	LOAXUEZOWGYQSP-FZISGLIDSA-N	00001010100000110000001010000000000000000000000000000000	25-01-129441
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)F)n2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_9880191,ZINC22_11914130,TIMTEC300887,MCULE-2234950218,CoCoCo_6286710,PC-id_16453735	413.422	LZJLLSJBICBARG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129442
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(S(=O)(=O)N)cc1)C(=O)N	PC-id_55644030	413.425	IRUFZQOBSFKQFB-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-129443
S(c1c(C(=O)NCc2n3CCCc3nn2)cc([N+](=O)[O-])cc1)c1c(F)cccc1	PC-id_34241272	413.425	APZGVGILFXQGAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129444
CCOCC(=O)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCOC1=O	PC-id_68439783,SCHEMBL2915952	413.427	HATRHHFSZNJPRE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129445
c12c(CCC1C(=O)Nc1ccc(c(F)c1)F)sc(NC(=O)c1ccc(cc1)C)n2	MCULE-8550988599,EMOLS-id_12347231,PC-id_16947585	413.44	SBHMRPPLSHUMNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129446
c12c(CCC1C(=O)NCc1c(cccc1F)F)sc(NC(=O)c1ccccc1)n2	PC-id_16947144,Chemmine_45415,EMOLS-id_12346349,MCULE-5688989479	413.44	WIMHOQMDBXAYJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129447
c12c(CCC1C(=O)NCc1ccc(cc1)F)sc(NC(=O)c1ccc(cc1)F)n2	MCULE-5259152641,PC-id_16947215,EMOLS-id_12346491	413.44	TVYPLOWNVGDNPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129448
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2ccc(F)c(F)c2)cc1	PC-id_40946132,CoCoCo_5124830,ZINC22_9132256	413.44	SBHMRPPLSHUMNS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129449
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2ccc(F)c(F)c2)cc1	ZINC22_9132257,CoCoCo_5124831,PC-id_40946133	413.44	SBHMRPPLSHUMNS-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129450
Fc1ccc(cc1)C(=O)Nc1sc2c(n1)[C@H](CC2)C(=O)Nc1ccc(c(c1)F)C	CoCoCo_5124788,PC-id_40945587	413.44	KCGMHFNXKVCITN-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129451
Fc1ccc(cc1)C(=O)Nc1sc2c(n1)[C@@H](CC2)C(=O)Nc1ccc(c(c1)F)C	CoCoCo_5124789,PC-id_40945586	413.44	KCGMHFNXKVCITN-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129452
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1	CoCoCo_5124749,ZINC22_9131519,PC-id_40945453	413.44	TVYPLOWNVGDNPI-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129453
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1	ZINC22_9131518,CoCoCo_5124748,PC-id_40945452	413.44	TVYPLOWNVGDNPI-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129454
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1c(F)cccc1F)c1ccccc1	CoCoCo_5124728,PC-id_40945337,ZINC22_9131387	413.44	WIMHOQMDBXAYJA-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129455
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1c(F)cccc1F)c1ccccc1	CoCoCo_5124729,PC-id_40945336,ZINC22_9131386	413.44	WIMHOQMDBXAYJA-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129456
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(F)c(cc1)C	PC-id_16947283	413.44	KCGMHFNXKVCITN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129457
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)C1CC1)N(c1ccc(cc1)F)C=O	PC-id_141257332	413.445	MKLHYSQCTLBZNV-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-129458
Fc1ccc(C(=O)Nc2nn(C(=O)C3CC3)c3c2CN(C3)C(=O)NCCCC)cc1	PC-id_54767648	413.445	JUEVYSVVYYKLIQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-129459
c1(NC(=O)c2cc(on2)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)N	ZINC22_46086089,EMOLS-id_31498900,TIMTEC330379,PC-id_52232347,MCULE-1360756140	413.447	NGCHXXZHIYBNNX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129460
CC1(Cn2cc(nc2S1=O)[N+](=O)[O-])COCc1ccc(cc1)Oc1ccccc1	PC-id_137632851	413.447	FTUGETCIOLTCQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129461
CC1(COc2ccc(cc2)OCc2ccccc2)Cn2c(S1=O)nc(c2)[N+](=O)[O-]	PC-id_145998324	413.447	WLSLIDPQOOBQBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129462
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cc(no1)OCc1ccccc1	PC-id_90574283	413.447	HNURIHYZSUDLOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129463
COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc3c(s2)CCC3)n1	EMOLS-id_43696752,PC-id_40925090,MCULE-5608310870,ZINC22_9069952,CoCoCo_2840875	413.447	FLGXAISZMUNGDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129464
O=C(c1sc2c(c1)CCC2)Nc1cc(sc1C(=O)[O-])c1cccc(c1)[N+](=O)[O-]	GD-id_ZINC12613028,PC-id_25396456	413.447	BUTSEYWTOPANLS-UHFFFAOYSA-M	00000010100100110000100010000000000000000000000000000000	25-01-129465
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)c1ocnn1)C(=O)OCC	PC-id_7555918	413.447	RQUABHUIHLYAKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129466
s1c2CCCc2c(c1NC(=O)COC(=O)C1CN(C(=O)C1)Cc1occc1)C#N	PC-id_78502010	413.447	RMGUIHVKJSAUJQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-129467
s1c2CCCc2c(c1NC(=O)COC(=O)[C@H]1CN(C(=O)C1)Cc1occc1)C#N	PC-id_7553850	413.447	RMGUIHVKJSAUJQ-GFCCVEGCSA-N	00000010101000000000000010000000000000000000000000000000	25-01-129468
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H]1CN(C(=O)C1)Cc1occc1)C#N	PC-id_7553853	413.447	RMGUIHVKJSAUJQ-LBPRGKRZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-129469
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OC)cc1)C#N	PC-id_8788001	413.447	BORKHOOQUSZVKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129470
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)ccc1)C#N	PC-id_7882034	413.447	XMCJXDHAMDQMLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129471
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1c(OC)cccc1)C#N	PC-id_8341178	413.447	ALHWJGYHOMURHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129472
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(Oc1ccc(cc1)C#N)C)C(=O)N	PC-id_55312915	413.447	JPHBFTZKWRRUBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129473
s1c2CCCc2c(c1NC(=O)COC(=O)CON=Cc1ccc(OC)cc1)C#N	PC-id_84872940	413.447	IKVIUAJTKHMXGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129474
c1(NC(=O)COc2nonc2C(=O)N(CC=C)CC=C)sc2CCCc2c1C#N	MCULE-8992238555,EMOLS-id_333661898	413.45	INBBCYCQCSNBCS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129475
s1c2c(CCC2)c(c1NC(=O)COc1ccc(n2nnnc2)cc1)C(=O)OCC	PC-id_8353265	413.45	BTBPUNZANGKFJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129476
s1c2c(CCC2)c(c1NC(=O)COc1cc(n2nnnc2)ccc1)C(=O)OCC	PC-id_7768376	413.45	UQEKWTUREDFVMB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129477
Cc1ccc(cc1)S(=O)(=O)n1c(cc2c1CCC2Cc1ccc(cc1)F)C(=O)O	SCHEMBL2780352,PC-id_67531867	413.462	HSQKALUSXRFWEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129478
Fc1ccccc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324825080	413.467	BBLNGXPHNRZOPH-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129479
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324824056	413.467	PMMPOIVPTWRTCX-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129480
Fc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324825082	413.467	OZOQZEIPVBWZNR-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129481
n12c(=O)c(=Cc3ccccc3F)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8461875815	413.467	BBLNGXPHNRZOPH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129482
n12c(=O)c(=Cc3cccc(F)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6548769723	413.467	OZOQZEIPVBWZNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129483
n12c(=O)c(=Cc3ccc(F)cc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-2727400828	413.467	PMMPOIVPTWRTCX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129484
O(C(=O)N1C(c2c([nH]cc2)C1)C(=O)NC(Cc1ccccc1)C(=O)OC)C(C)(C)C	PC-id_72971571	413.467	JFHXTNYESAJUEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129485
O(C(=O)N1[C@@H](c2c([nH]cc2)C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)C(C)(C)C	PC-id_11464106	413.467	JFHXTNYESAJUEK-WMZOPIPTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129486
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_74534138	413.467	XPCIEODDRXWCBW-UHFFFAOYSA-M	00000010101011000000000010000000000000000000000000000000	25-01-129487
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_27524905	413.467	XPCIEODDRXWCBW-UONOGXRCSA-M	00000010101011000000000010000000000000000000000000000000	25-01-129488
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_27524907	413.467	XPCIEODDRXWCBW-KBPBESRZSA-M	00000010101011000000000010000000000000000000000000000000	25-01-129489
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_27524909	413.467	XPCIEODDRXWCBW-ZIAGYGMSSA-M	00000010101011000000000010000000000000000000000000000000	25-01-129490
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_27524911	413.467	XPCIEODDRXWCBW-KGLIPLIRSA-M	00000010101011000000000010000000000000000000000000000000	25-01-129491
CCCCNC(=O)N1Cc2c(C1)n(nc2N(c1ccc(cc1)OC)C=O)C(=O)CC	PC-id_141257315	413.47	VRQMUVXNVKKZAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129492
COc1cc(COCC(=O)N2CC[C@@H](NC(=O)[C@@H]3CCc4c[nH]nc34)[C@H]2C)ccn1	ZINC22_2325839172	413.47	KYXVUGNDVSYPML-KBRIMQKVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-129493
COc1cc(COCC(=O)N2CC[C@@H](NC(=O)[C@H]3CCc4c[nH]nc34)[C@H]2C)ccn1	ZINC22_2325839173	413.47	KYXVUGNDVSYPML-XOKHGSTOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-129494
O=C(N1Cc2n(nc(NC(=O)c3ccc(OC)cc3)c2C1)C(=O)CC)NCCCC	PC-id_54767813	413.47	VZZBTKDFMKDDEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129495
CN1CCN(CC1)c1ccc(cc1N)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)O	PC-id_68661087,SCHEMBL3485618	413.473	RNRXGOFDHRTSEG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129496
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nccc(c1)C#N)C	PC-id_89796606,SCHEMBL1369103	413.475	GRWQUVBTXBVOTA-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-129497
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nccc(c1)[N+]#[C-])C	PC-id_91899633	413.475	HDXOHJOFGROCNN-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-129498
CC1(C)N(Cc2c(Nc3cc(ccn3)[N+]#[C-])[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1	BindingDB_PC-id_91899633,BindingDB-id_218919	413.475	HDXOHJOFGROCNN-PYUWXLGESA-N	00100010100000111001100010000000000000000000000000000000	25-01-129499
[C-]#[N+]c1ccnc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1CC1c1ccccc1	PC-id_59474235,SCHEMBL12143774	413.475	HDXOHJOFGROCNN-DAFXYXGESA-N	00100010100000111001100010000000000000000000000000000000	25-01-129500
N#Cc1ccnc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	SCHEMBL12560612,PC-id_68317329,BindingDB_PC-id_68317329	413.475	GRWQUVBTXBVOTA-PYUWXLGESA-N	00100010100000111001100010000000000000000000000000000000	25-01-129501
N#Cc1ccnc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_67008230,SCHEMBL1369105	413.475	GRWQUVBTXBVOTA-FUHWJXTLSA-N	00100010100000111001100010000000000000000000000000000000	25-01-129502
N#Cc1ccnc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247503	413.475	GRWQUVBTXBVOTA-AEFFLSMTSA-N	00100010100000111001100010000000000000000000000000000000	25-01-129503
N#Cc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)CC1C[C@H]1c1ccccc1	SCHEMBL12143777,PC-id_59474225	413.475	CZTHOGKHOSZQEZ-LYKKTTPLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-129504
CC(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)N1CCN(CC1)c1ncccn1	PC-id_134790030	413.477	MGSOPQFYWLHVLX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-129505
N#Cc1c(NC(=O)CSc2nnc([nH]2)NN=Cc2ccco2)sc2c1CCC2	MCULE-7247593562,PC-id_28977669	413.477	RVUSJAVVRBBBIS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-129506
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)N/N=C/c1occc1)C#N	PC-id_17387735	413.477	RVUSJAVVRBBBIS-UFWORHAWSA-N	00000010101000000001000010000000000000000000000000000000	25-01-129507
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc2OC3(Oc2cc1)CCCCC3	PC-id_7520031	413.487	KNLCDQZNEYJCLW-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129508
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1(CC1)c1ccccc1)C(=O)OCC	PC-id_8492814	413.487	CKEWIPHHKLQGEX-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-129509
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(cc1)C)C(=O)OCC	PC-id_7187315	413.487	VPLNJEAQKWFEBH-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129510
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(cc1)C)C(=O)OCC	PC-id_78458515	413.487	VPLNJEAQKWFEBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129511
CCN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	CHEMBL603543,BindingDB_PC-id_46228513,PC-id_46228513	413.488	LRKDOQPVSVUIPK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129512
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)OC)C2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334333904,MCULE-5420102572	413.49	RUOHKMMARJNNQX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129513
c1(NC(=O)C2CC(=O)NN2Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_3542319,EMOLS-id_5515509,MCULE-9973328559	413.49	KQBSKIWPRBTNJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129514
c1(NC(=O)COc2cn(c(cc2=O)C)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331631810,MCULE-4233206846	413.49	ZRUWWRULQDOSHA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129515
CC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109620	413.49	JUZHQEKCUSLQEM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129516
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCC2	CoCoCo_5050301,PC-id_993505,ZINC22_646844,CoCoCo_5050299	413.49	KQBSKIWPRBTNJV-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129517
CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCC2	ZINC22_646843,PC-id_993504,CoCoCo_5050300,CoCoCo_5050302	413.49	KQBSKIWPRBTNJV-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129518
s1c2CCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)c1c(OCC)cccc1	PC-id_24540827	413.49	YGNGKAXLAWZWLF-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-129519
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC=C2)C)C1)C(=O)OCC	PC-id_73535722	413.49	RUWVNUGSSCGNHQ-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-129520
s1c2c(CCC2)c(c1NC(=O)CNc1c(C(=O)NC2CC2)cccc1)C(=O)OC	PC-id_24614891	413.49	JZVLDVCOAMGAJF-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-129521
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(cc1)C)C)C(=O)OCC	PC-id_19658241	413.49	YQLXPUCHVRPGHT-YDZHTSKRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129522
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(cc1)C)C)C(=O)OCC	PC-id_73632751	413.49	YQLXPUCHVRPGHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129523
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(CC)cc1)C(=O)OCC	PC-id_4423915	413.49	MSQWSYFIYUJHAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129524
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(CC)cc1)C(=O)OCC	PC-id_6106578	413.49	MSQWSYFIYUJHAY-WSDLNYQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129525
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1)C(=O)OC	PC-id_19658582	413.49	KDECSSLHMWIPIK-SSDVNMTOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129526
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(C(C)C)cc1)C(=O)OC	PC-id_73633085	413.49	KDECSSLHMWIPIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129527
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/CCc1ccccc1)C(=O)OCC	PC-id_19658785	413.49	RILQGQVLVUPQIF-LPYMAVHISA-N	00000010100000110000000010000000000000000000000000000000	25-01-129528
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=CCCc1ccccc1)C(=O)OCC	PC-id_73633286	413.49	RILQGQVLVUPQIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129529
s1c2CCC(C(=O)N3CCC(CC3)C(=O)OC)c2nc1NC(=O)c1ccccc1	PC-id_16947024	413.49	FARFXLXBQAEAOI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129530
C(=Cc1ccccc1)(C(=O)Nc1sc2CCCc2c1C#N)NC(=O)c1ccccc1	MCULE-3892308907	413.492	NMFALGQVKXKTOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129531
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccc(F)cc1	MCULE-1013452607,PC-id_8112276,CoCoCo_3097024,EMOLS-id_11948265,ZINC22_6913253	413.492	PXYAGTLFYDYNTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129532
O=C(Nc1sc2CCCc2c1C#N)/C(=Cc1ccccc1)/NC(=O)c1ccccc1	EMOLS-id_327785202	413.492	NMFALGQVKXKTOX-XSFVSMFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129533
c1(NC(=O)COc2cccnc2NC(=O)NC(C)CC)sc2c(CCC2)c1C#N	MCULE-2945899880,EMOLS-id_321874039	413.493	JVNYHXBAZIKWKP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129534
c1(NC(=O)COc2cccnc2NC(=O)NCCCC)sc2c(CCC2)c1C#N	MCULE-3272852410,EMOLS-id_321875831	413.493	DXVOUKDEMNURAX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129535
c1(NC(=O)COc2cccnc2NC(=O)NC(C)(C)C)sc2c(CCC2)c1C#N	MCULE-5419679379,EMOLS-id_321875319	413.493	VGXGMWPWPVGGAC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129536
c1(NC(=O)COc2cccnc2NC(=O)NCC(C)C)sc2c(CCC2)c1C#N	MCULE-7292653969,EMOLS-id_321875575	413.493	APKNCCZDGYJLQD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129537
c1(NC(=O)COc2cccnc2NC(=O)N(CC)CC)sc2c(CCC2)c1C#N	MCULE-8279382306,EMOLS-id_321857721	413.493	RCVDAYOZVLCJQG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129538
COc1cc(c(cc1)C(=C1C=c2c(=N1)cc(s2)NC(=O)CN1CCOCC1)N)N	PC-id_90077387	413.493	WFUUGVGIGSAROX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129539
O=C1NCC[NH+](C1CC(=O)NCc1n2CCCc2nn1)Cc1cc(c(OC)cc1)C	PC-id_74499812	413.493	SLWVLIJNWXSGSP-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129540
O=C1NCC[NH+](C1CC(=O)NCc1n2CCCc2nn1)Cc1c(OCC)cccc1	PC-id_74449639	413.493	AKIOTUNHSLWFDM-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129541
O=C1NCC[NH+]([C@H]1CC(=O)NCc1n2CCCc2nn1)Cc1cc(c(OC)cc1)C	PC-id_26392112	413.493	SLWVLIJNWXSGSP-INIZCTEOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129542
O=C1NCC[NH+]([C@@H]1CC(=O)NCc1n2CCCc2nn1)Cc1cc(c(OC)cc1)C	PC-id_26392114	413.493	SLWVLIJNWXSGSP-MRXNPFEDSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129543
O=C1NCC[NH+]([C@H]1CC(=O)NCc1n2CCCc2nn1)Cc1c(OCC)cccc1	PC-id_25378750	413.493	AKIOTUNHSLWFDM-INIZCTEOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129544
O=C1NCC[NH+]([C@@H]1CC(=O)NCc1n2CCCc2nn1)Cc1c(OCC)cccc1	PC-id_25378754	413.493	AKIOTUNHSLWFDM-MRXNPFEDSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129545
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1onc(c1)C)C#N	PC-id_56525231	413.493	FLNIZVLWTDOXNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129546
C[C@H]1c2c(CN1Cc1ccc(cc1)C#N)sc(n2)NC(=O)Cc1ccc(cc1)C#N	SCHEMBL19772100,PC-id_134170927	413.495	WTOFOCZBRRTFGD-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129547
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCCC1=CCCCC1	PC-id_16947210	413.508	BBVBKDQLSKQXLO-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-129548
Cc1ccc(S(=O)(=O)N(C(=O)c2cc3c(s2)CCC3)c2ccc(O)cc2)cc1	PC-id_71885878,EMOLS-id_44549274,ZINC22_84160062,MCULE-6625831669	413.51	DWIPMWQGWRZTNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129549
COc1cc(cc(c1OC)OC)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109769	413.51	XENWMOPXIMKBCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129550
COc1ccc(S(=O)(=O)c2ccccc2)cc1NC(=O)c1cc2c(s1)CCC2	CoCoCo_3180239,EMOLS-id_2985850,ZINC22_3230806,PC-id_2348908,MCULE-9300190964	413.51	GRGPZFBHZKDZNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129551
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1ccccc1)C(=O)OC	PC-id_19490862	413.51	DVKILBLXWQUHBA-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129552
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)NCc1ccc(cc1)C	PC-id_74534142	413.51	BYIPSCSKWUAGRA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-129553
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)NCc1ccc(cc1)C	PC-id_27524942	413.51	BYIPSCSKWUAGRA-CQSZACIVSA-M	00000010100000110000000010000000000000000000000000000000	25-01-129554
s1c2c(CCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)NCc1ccc(cc1)C	PC-id_27524944	413.51	BYIPSCSKWUAGRA-AWEZNQCLSA-M	00000010100000110000000010000000000000000000000000000000	25-01-129555
Cc1ccc(cc1)N1CCN(CC1)C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46925748,MCULE-2566550200,EMOLS-id_31799153	413.511	OCOUHTHEHWMFDQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129556
Cc1ccc(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)cc1	PC-id_52451460,ZINC22_57476775	413.511	OCOUHTHEHWMFDQ-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129557
Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)cc1	ZINC22_57476774,PC-id_52451459	413.511	OCOUHTHEHWMFDQ-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129558
CCCCc1nc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(c(c1)C)F	SCHEMBL15024412,PC-id_89623165	413.512	AVLSWXNQJJHWHC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129559
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)c1ccccc1)C(=O)N	PC-id_9223687	413.513	SHQCKWMKQZQFOE-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129579
c12c(CCC1C(=O)NCc1cccs1)sc(NC(=O)c1ccc(cc1)OC)n2	MCULE-7458305263,EMOLS-id_12347781,PC-id_16947859	413.513	GQWLJWVHHKDUIN-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129560
c1(C(=O)NCCCOC2CCN(CC2)CC)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316323639,MCULE-1119063046	413.513	ALUSIHHJFWLGGR-FQEVSTJZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-129561
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1nc2CCCc2s1	MCULE-2301068051,PC-id_7541999,CoCoCo_5152996,EMOLS-id_5582352,ZINC22_5184696	413.513	SGPZHOOAEOWBEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129562
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1nc2CCCc2s1	PC-id_7553513,CoCoCo_5153057,EMOLS-id_5582456,MCULE-4107946890,ZINC22_5204100	413.513	NKUNDYXYYUACPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129563
CCCOc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1OC	EMOLS-id_324834544	413.513	IWGLXQFBZHEBKB-BOPFTXTBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129564
CCN1CCC(CC1)OCCCNC(=O)c1nn2c(c1)CC(C2)Oc1cccnc1	MCULE-6688845090	413.513	ALUSIHHJFWLGGR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-129565
CCOc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1OCC	EMOLS-id_324833520	413.513	PWLAJGXXCSBBJZ-BOPFTXTBSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129566
CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1nc2c(s1)CCC2	EMOLS-id_25638929,PC-id_26723298,MCULE-9492121895,ZINC22_15636797,CoCoCo_4164235	413.513	KAQZBVJTKGFOME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129567
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	MCULE-6723277270,PC-id_26723112,ZINC22_15636457,EMOLS-id_43971852,CoCoCo_4164082	413.513	HURJDKAQKOXYBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129568
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	ZINC22_12584663,EMOLS-id_11822455,MCULE-3955206800,CoCoCo_4164129,PC-id_16371395	413.513	LEGPVJLXZIXRQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129569
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(C)C)C	PC-id_66941785,SCHEMBL1206287	413.513	MYHCBONZMXIKCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129570
CN(CC(C(C)C)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	SCHEMBL1205936,PC-id_66941650	413.513	IWBGWHLFRAGWSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129571
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(C)C)C	SCHEMBL1206284,PC-id_24765798	413.513	MYHCBONZMXIKCV-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129572
CN(C[C@H](C(C)C)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	SCHEMBL1205934,PC-id_58015627	413.513	IWBGWHLFRAGWSU-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129573
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2cccs2)cc1	CoCoCo_5124876,ZINC22_9301368,PC-id_41007227	413.513	GQWLJWVHHKDUIN-OAHLLOKOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129574
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2cccs2)cc1	CoCoCo_5124877,ZINC22_9301365,PC-id_41007224	413.513	GQWLJWVHHKDUIN-HNNXBMFYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129575
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)Cc1cccs1	MCULE-6668431259	413.513	IWGLXQFBZHEBKB-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129576
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)Cc1cccs1	MCULE-4095663390	413.513	PWLAJGXXCSBBJZ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129577
s1c2CCCc2cc1C(=O)NNC(=O)c1nc(sc1)COc1ccc(cc1)C	PC-id_27684826	413.513	XVWCWWJBOYALFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129578
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC(=O)Nc1cc(OC)ccc1)C#N	PC-id_9026450	413.513	NQPXIDHQBHMMFD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-129580
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1cc(OC)c(OC)cc1)C#N	PC-id_4955498	413.513	FXVDMQLYZVSKQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129581
s1c2CCCc2c(c1NC(=S)NC(=O)/C=C/c1cc(OC)c(OC)cc1)C#N	PC-id_6235291	413.513	FXVDMQLYZVSKQS-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129582
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(cc2)C)cc1	PC-id_30796780	413.513	FWGLHTJXZLBPOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129583
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2c(cccc2)C)cc1	PC-id_33040388	413.513	XCTYWFLXGUJFAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129584
Cc1cccc(c1)c1nnc(n1CC(=O)NNC(=O)c1sc2c(c1)CCC2)S	PC-id_27684749,CoCoCo_4364152,EMOLS-id_75939360	413.516	ZRTDZBXMMRHNJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129585
Cc1ccccc1n1cnnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-9805448762,CoCoCo_2896383,ZINC22_4510158,PC-id_7262960,EMOLS-id_3616239,SCHEMBL21045425	413.516	LQSAYUHGMZAFES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129586
Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1c1ccccc1	MCULE-1156493888,PC-id_3279673,CoCoCo_3092769,SCHEMBL21045354,EMOLS-id_3449491,ZINC22_6079714	413.516	CUARRTWRCOYEMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129587
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nncn1c1ccccc1	PC-id_16384297,EMOLS-id_11851981,MCULE-3091373168,SCHEMBL20548160	413.516	WMURSVBYNOWTHR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129588
C[C@@H](Sc1nncn1c1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4172137,PC-id_40973606,ZINC22_9220379	413.516	WMURSVBYNOWTHR-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129589
C[C@H](Sc1nncn1c1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4172138,ZINC22_9220378,PC-id_40973605	413.516	WMURSVBYNOWTHR-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-129590
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccoc1C	MCULE-3171901930,PC-id_7651590,EMOLS-id_11751318,CoCoCo_2876978,ZINC22_5364685	413.516	KFTAMVZAHASMNM-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-129591
Cn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccccc1	CoCoCo_3074291,MCULE-6566763114,PC-id_2115802,ZINC22_2652458,SCHEMBL21045548,EMOLS-id_3223288	413.516	LOLZIUVRFNJITQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129592
NC(=O)c1c(NC(=O)CSc2nc(c3ccccc3)cn2N)sc2c1CCC2	MCULE-2655568890,ZINC22_12555612,EMOLS-id_3159185,PC-id_4300037,CoCoCo_3635793	413.516	LGUWYTIUYIAONI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129593
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1ccc(cc1)C)C(=O)N	PC-id_7817917	413.516	QVBAHIRSGQUWKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129594
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1cc(OC)cc(c1)OC	PC-id_111924857	413.517	QJFLKLPUAXLKLD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129595
CN=C(N1CCN(CC1)Cc1cc(OC)ccc1OC)NCc1nnc2n1CCC2	PC-id_111303329	413.517	NSKBFRBZWRVMPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129596
CN=C(NC1CCN(C1)Cc1cc(OC)cc(c1)OC)NCc1nnc2n1CCC2	PC-id_109615896	413.517	MTMGXBMFWZSSPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129597
CN=C(NC1CCN(CC1)c1cc(OC)cc(c1)OC)NCc1nnc2n1CCC2	PC-id_109387031	413.517	PRDCADNXDWTVMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129598
CN=C(NCc1nnc2n1CCC2)NCCc1ccc(cc1)NC(=O)OC(C)(C)C	PC-id_109636047	413.517	CRMUWRVDTORMET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129599
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(cc1)OC)N1CCOCC1	PC-id_111020369	413.517	XNKCLSPBHYAIMJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129600
c1(NC(=O)C=Cc2ccc(cc2)OCCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4334449149,PC-id_4623577	413.53	GDHHRNMEYNDLIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129601
c1(NC(=O)C=Cc2ccccc2OCCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3615588,MCULE-4530794273	413.53	PVANLABKQXFARZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129602
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CCCCC1)S(=O)C	SCHEMBL10816862,PC-id_20235095	413.53	WCXFVSBQCANQTA-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-129603
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc(OCCCC)cc1)C(=O)OCC	PC-id_1652365	413.53	GDHHRNMEYNDLIY-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129604
s1c2c(CCC2)c(c1NC(=O)/C=C/c1c(OCCCC)cccc1)C(=O)OCC	PC-id_1701627	413.53	PVANLABKQXFARZ-BUHFOSPRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129605
c1(c2CCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1ccc(cc1)OCC	CoCoCo_870107,CHEMBL1361948,ZINC22_4845556,EMOLS-id_2187540,PC-id_1329133,MCULE-6999375668,SCHEMBL10144092,ChEMBL-DNDi_CHEMBL1361948	413.533	ICIOCDGZWWHDTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129606
c1(c2CCCc2sc1NC(=O)CN1CCCCC1)C(=O)Nc1ccccc1OC	TIMTEC186039,EMOLS-id_2783542,ZINC22_4155139,PC-id_3625026,CoCoCo_6728256,MCULE-2622843143	413.533	HBKYGWMJYUXSMJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129607
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccc(cc1C)C	EMOLS-id_1997989,ZINC22_20118125,MCULE-9533895754,ChEMBL-DNDi_CHEMBL7008327,PC-id_1328565,CoCoCo_867160	413.533	LVQZOMYHMPOBKW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129608
c1(NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)NCCN1CCOCC1	ZINC22_16183827,MCULE-2757332954,PC-id_27000198,CoCoCo_855825,EMOLS-id_15209032	413.533	OXSNLNIQBIYXOD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129609
c1(NC(=O)CCCCCNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-7630763053,EMOLS-id_334328543	413.533	CYHMEWLCYJHEBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129610
c1(NC(=O)CN2CCN(CC2)Cc2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_22198180,ZINC22_19797043,CoCoCo_6964493,TIMTEC21711,SPECS-id_AO-476/43415532,EMOLS-id_4272666,CoCoCo_6964492,MCULE-1660580627	413.533	LXJDPHRKHKYWND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129611
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328787,MCULE-1680402897	413.533	QUWQSVPZJOZANL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129612
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331630789,MCULE-4333966473	413.533	WBUHECRDRAQGMQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129613
c1(NC(=O)NN=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_73551349,MCULE-2048379989	413.533	SQLQNPWZZBBELX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129614
Cc1ccccc1OC1CCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	SYN-23004410,CoCoCo_509913,MCULE-4963841089,CoCoCo_509914,ZINC22_19664373,PC-id_46979408	413.533	URJDTIOSFDRWRP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129615
CC(C)OC(=O)c1c(NC(=O)N2CCN(c3ccccc3)CC2)sc2c1CCC2	CHEMBL4475193	413.533	UVMJTEQSFHMQTI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129616
CCOc1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)ccc1OC	EMOLS-id_324902920	413.533	XYLYBXRWWZVSFY-RGEXLXHISA-N	00000000100010110001000010000000000000000000000000000000	25-01-129617
CCOc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1OC	EMOLS-id_324905992	413.533	KRIHXEAWZKIOEA-RGEXLXHISA-N	00000000100010110001000010000000000000000000000000000000	25-01-129618
COc1cc(C)c(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC	ZINC22_24804606,EMOLS-id_18853721,PC-id_32117311,CoCoCo_4467906,MCULE-8357001422,CoCoCo_4467907	413.533	PBGYQDJUIPYYPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129619
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)CCC1CCCCC1	MCULE-2363141876	413.533	KRIHXEAWZKIOEA-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-129620
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)CCC1CCCCC1	MCULE-9285336071	413.533	XYLYBXRWWZVSFY-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-129621
s1c2CCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)N(CC)CC)cc1)C	PC-id_85015431	413.533	DATRUEJDNFJSML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129622
s1c2CCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)N(CC)CC)cc1)/C	PC-id_9462329	413.533	DATRUEJDNFJSML-HAHDFKILSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129623
s1c2CCCc2cc1C(=O)NNC(=O)C(NC(=O)c1c(cccc1)C)CC(C)C	PC-id_46652836	413.533	RHSWPBHRUSNJNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129624
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCN(CC2)CC)cc1	PC-id_16624273	413.533	DQYLXUWHGCYYFL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129625
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(cccc1)C)C(=O)OC	PC-id_22200606	413.533	MNJBCXYIZBFKMG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129626
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)OCC	PC-id_2685093	413.533	CENHKVWZXWLIGA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129627
s1c2c(CCC2)c(c1NC(=O)CNc1c(N2CCCCC2)cccc1)C(=O)OC	PC-id_24406502	413.533	QQSPKHFCBNKWLT-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-129628
s1c2CCCc2c(c1NC(=O)CN(Cc1cc(OC)c(OCC)cc1)CC)C#N	PC-id_16608732	413.533	IJEOCMMWFOXTHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129629
s1c2c(CCC2)c(c1NC(=O)N/N=C/c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_19173278	413.533	SQLQNPWZZBBELX-YDZHTSKRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129630
s1c2CCCc2nc1CN1CCN(CC1)C(=O)/C=C/c1cc(OC)c(OC)cc1	PC-id_44060393	413.533	ZTFRVDPUKIOVQN-VQHVLOKHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129631
s1c2CCCc2nc1CN1CCN(CC1)C(=O)C=Cc1cc(OC)c(OC)cc1	PC-id_74912090	413.533	ZTFRVDPUKIOVQN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129632
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCC1CCCCC1	PC-id_16947947	413.533	OAZGGDNSOHXMRK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129633
s1c2CCC(C(=O)NC3CCCCCC3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_16947847	413.533	MZXSUEHFMJIFEO-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-129634
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccccc1c1sccn1	EMOLS-id_328213373,MCULE-3013492490	413.535	UVOACVCZJYCITR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129635
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccc(cc1)c1sccn1	EMOLS-id_328213885,MCULE-4505880501	413.535	IQCBMINEYKQWQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129636
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1cccc(c1)c1sccn1	MCULE-8713792095,EMOLS-id_328213629	413.535	XFHLXPUQNCPIPM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129637
c
(=N/C(=O)C(C)NC(=O)N2CCN(CC2)Cc2ccccc2)/sc2c(CCC2)[nH]1	EMOLS-id_300735291,EMOLS-id_46566157,PC-id_60178556,MCULE-7573050999	413.536	YGMFHGCLHCSBLS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129638
c1(sc2c(CCC2)n1)NC(=O)[C@H](C)NC(=O)N1CCN(CC1)Cc1ccccc1	ZINC22_79485341,STOCK7S-33339,PC-id_71829757,EMOLS-id_44210154,MCULE-5276095993	413.536	YGMFHGCLHCSBLS-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129639
CCCCCC1C(CC(=O)NC2CC2)Cc2c1nc(s2)NC(=O)c1cnccn1	PC-id_17747092,SCHEMBL11988484	413.536	MCZPUYQVBHHMOK-UHFFFAOYSA-N	00100010100000100001000010000000000000000000000000000000	25-01-129640
C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1nc2c(s1)CCC2	ZINC22_80331848,PC-id_96564095	413.536	YGMFHGCLHCSBLS-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129641
O=C(C[C@@H]1N(CCCc2ccccc2)CCNC1=O)NCc1cn2c(n1)SCC2	PC-id_42197333,CoCoCo_1576659,CoCoCo_1576660	413.536	MNKJGQKSRFUXFC-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129642
O=C(C[C@H]1N(CCCc2ccccc2)CCNC1=O)NCc1cn2c(n1)SCC2	PC-id_42197335,CoCoCo_1576662,CoCoCo_1576661	413.536	MNKJGQKSRFUXFC-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129643
S1c2n(CC1)cc(n2)CNC(=O)CC1N(CCNC1=O)CCCc1ccccc1	PC-id_45241582	413.536	MNKJGQKSRFUXFC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129644
CN=C(N1CCN(CC1)S(=O)(=O)CCOC(C)C)NCc1nnc2n1CCC2	PC-id_109568007	413.538	TXNSJKFSGPJCNU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129645
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCCOC)nn1)C(=O)N	PC-id_45674677	413.538	OHEHFDGKTXODAM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129646
N#Cc1c(NC(=O)CSc2nnc(Nc3ccccc3)s2)sc2c1CCC2	EMOLS-id_11781139,MCULE-3570094768,PC-id_7999785,ZINC22_6559648,CoCoCo_3144776	413.54	ZNEHFMUAQQXFLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129647
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(CCc2sccc2)c(c1)C)C	PC-id_7546441	413.553	VBARAKFJCATLPL-UHFFFAOYSA-N	00000010110100000000000010000000000000000000000000000000	25-01-129648
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)Cc1ccccc1)C(=O)OC	PC-id_2559998	413.553	MHWUCBLPHKUENY-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-129649
Cc1cccc(N2CCN(CC2)C(=O)c2cc3CCCc3n2Cc2ccccc2)c1C	EMOLS-id_328341907,MCULE-2446687148	413.555	FHWNTOLFVKXOIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129650
CC1CCN(CC1)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328220539,MCULE-8702123145	413.555	JTZPXBUGKYNGLZ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-129651
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCN(CC1)Cc1ccccc1	EMOLS-id_328214137,MCULE-9712940784	413.555	JHGGQWRYEUAXKK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-129652
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC(c1ccccc1)N1CCCC1	EMOLS-id_328215926,MCULE-5576893043	413.555	YZZCCRGAVXXGRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129653
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C(c1ccccc1)c1ccccc1	PC-id_92109817	413.555	DKBPVAJWXSAQND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129654
c1(NC(=O)CSCC(=O)Nc2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_185341210,MCULE-4140789792	413.556	QFQRTIGQTYOEAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129655
CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6263176,PC-id_6132253	413.556	PDECCWAFPJXXHD-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129656
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1c(cccc1)C	PC-id_51617743	413.556	CISXNPSOYFONRF-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129657
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1cc(ccc1)C	PC-id_51617744	413.556	QMAXCASFQBNEKH-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-129658
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCCCC)cc1)C#N	PC-id_4955522	413.556	CXCYLDAXPADIRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129659
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCC(C)C)cc1)C#N	PC-id_4955531	413.556	WMBLHXSDBQCGHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129660
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OCCC(C)C)ccc1)C#N	PC-id_4982076	413.556	HXEBWWHIASBQEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129661
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCCC(C)C)cccc1)C#N	PC-id_4955527	413.556	OSPZZBVTBDBVAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129662
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCCCCC)cccc1)C#N	PC-id_4955529	413.556	IHMACISPMBORFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129663
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N	PC-id_4505182	413.556	PDECCWAFPJXXHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129664
Cc1csc2nc(C)c(/C=c/3sc4nc(CCC5CCCCC5)nn4c3=O)n12	EMOLS-id_324903429	413.56	VMBGLMYQXGWJPF-YBEGLDIGSA-N	00000000100010000001000110000000000000000000000000000000	25-01-129665
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCC1CCCCC1	MCULE-5260675897	413.56	VMBGLMYQXGWJPF-UHFFFAOYSA-N	00000000100010000001000110000000000000000000000000000000	25-01-129666
CCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	PC-id_20235082,SCHEMBL10815155	413.573	MOPLYFCHMMRDAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129667
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N(CC(C)C)CC(C)C	PC-id_16947494	413.576	IHDWYFUNIRFZRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129668
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCCCCCCCC	PC-id_16947623	413.576	ROMWEEUCGIEFJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129669
CCCCN(c1ccc(s1)/C=c
/c(nn2c1nnc2C(CO)(C)C)C(=C)C)CC	SCHEMBL13347879	413.579	FURDTDYDTDRKPF-LGMDPLHJSA-N	00000000100100000001000010000000000000000000000000000000	25-01-129670
CCCCN(CC)c1ccc(s1)C=c1c(nn2c1nnc2C(C)(C)CO)C(=C)C	PC-id_89062779	413.579	FURDTDYDTDRKPF-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-129671
s1c2CCCc2c(c1NC(=O)CN(Cc1sccc1)Cc1sccc1)C#N	PC-id_8801021	413.579	YZSKRFPLJNHSSY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-129672
O=C(C(NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2)N)CC(C)(C)C	PC-id_117742623,SCHEMBL16298100	413.598	RHXZMEHAXDYIEZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129673
Clc1cc(CN2CCn3c2c(C(=O)O)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740357	413.702	GMWXRHDMENJJPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129674
c1(NC(C(Cl)(Cl)Cl)NC(=O)C(C)C)sc2c(CCC2)c1C(=O)OC	CHEMBL1521121,PC-id_3114760,BAS-00665056,STOCK1S-64836,MCULE-7546070801,TIMTEC317854,ChEMBL-DNDi_CHEMBL1521121,EMOLS-id_1022298	413.747	MSFNFFYSKMPWAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129675
COC(=O)c1c(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_113325,ZINC22_2275841,PC-id_1901034	413.747	MSFNFFYSKMPWAH-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129676
COC(=O)c1c(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_4832782,PC-id_6581303,CoCoCo_113326	413.747	MSFNFFYSKMPWAH-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129677
O=C(NCc1nnc2n1CCC2)NNC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl	GD-id_ZINC45388338	413.839	YMEYUIDCVSZFQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129678
CCOC(=O)n1nc2c(c1NC(=O)C1OCCN(C1)C)CN(C2(C)C)C(=O)Cl	PC-id_58015652,SCHEMBL1206377	413.856	WJFBSTJQHIKGJN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129679
Cc1cccc(C)c1OCc1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324873229	413.877	IBJKHAKQPZRKHV-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129680
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)c1	EMOLS-id_324885506	413.877	QCANONCUMLPWPK-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129681
Cc1cccc(OCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)c1C	EMOLS-id_324879360	413.877	XQFUMSJKMRHSKM-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129682
CCc1cccc(OCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)c1	EMOLS-id_324888590	413.877	FLJIMJKBEGBPDK-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129683
CCc1ccc(OCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324887557	413.877	VCYYUDRNPADZPR-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129684
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324882949	413.877	WMVYGTHYYSCWJP-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129685
CCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324845305	413.877	TTZYPLNSYIUYKQ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129686
CCOc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324885513	413.877	MKLKOIISOOULRU-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129687
CCOc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324843774	413.877	DIXPICGLALQVKE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129688
CCOc1ccc(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324879363	413.877	WGUOMZNIXZQLBH-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129689
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_324878337	413.877	NHIXLBFMMFLIMV-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129690
COc1ccc(Cc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1OC	EMOLS-id_324926472	413.877	SUNJIUXFDZBRAF-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129691
COc1ccc(Cc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324925446	413.877	QHLMAAUEJBUFAP-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129692
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2212742411	413.877	SUNJIUXFDZBRAF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129693
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1ccc(cc1)OCC	MCULE-7527995133	413.877	WGUOMZNIXZQLBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129694
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4227263019	413.877	QHLMAAUEJBUFAP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129695
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1ccc(cc1)OCC	MCULE-5577825239	413.877	NHIXLBFMMFLIMV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129696
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1ccccc1Cl	MCULE-7838392665	413.877	MKLKOIISOOULRU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129697
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-5033054050	413.877	DIXPICGLALQVKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129698
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)CCCOc1ccccc1	MCULE-2773574467	413.877	SNDUXHPFRVVXDX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129699
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1ccc(cc1)CC	MCULE-2139743662	413.877	VCYYUDRNPADZPR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129700
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1cc(C)ccc1C	MCULE-2822352424	413.877	QCANONCUMLPWPK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129701
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1c(C)cccc1C	MCULE-5415876039	413.877	IBJKHAKQPZRKHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129702
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1cccc(C)c1C	MCULE-7496849113	413.877	XQFUMSJKMRHSKM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129703
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1cccc(CC)c1	MCULE-7121358548	413.877	FLJIMJKBEGBPDK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129704
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)COc1ccccc1Cl	MCULE-5732854651	413.877	WMVYGTHYYSCWJP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129705
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)COc1ccc(Cl)cc1	MCULE-6308460771	413.877	TTZYPLNSYIUYKQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129706
Oc1ccc(Cl)cc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324849916	413.877	SNDUXHPFRVVXDX-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-129707
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nnc3n2CCC3)c1	EMOLS-id_29614761,MCULE-7756508463,CoCoCo_4560547,PC-id_45864946,ZINC22_40037565	413.879	OLGFGDXKVINWGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129708
c12NC(=O)C(CC(=O)Nc3cccc(Cl)c3)n1nc(SCc1ccccc1)n2	EMOLS-id_17103471,PC-id_135629909,MCULE-8177292183,STOCK6S-49116	413.881	RVWLTGCJYUTKTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129709
O=C(C[C@@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1cccc(Cl)c1	ZINC22_13692846,PC-id_135899882	413.881	RVWLTGCJYUTKTJ-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-129710
O=C(C[C@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1cccc(Cl)c1	ZINC22_13692847,PC-id_135899883	413.881	RVWLTGCJYUTKTJ-HNNXBMFYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-129711
Clc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_7543956	413.896	JJJAHMIAQCGLLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129712
Clc1sc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_7146417	413.896	HGGONUWXHGEGBJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-129713
CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1	PC-id_40925219,CoCoCo_2840907,ZINC22_9070240,MCULE-1764080775,EMOLS-id_24017928	413.896	NXDWHHRULYSVMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129714
Cc1csc2nc(Cl)c(/C=c/3sc4nc(Cc5ccccc5)nn4c3=O)n12	EMOLS-id_324836853	413.904	AUPQTENACXWJJJ-JYRVWZFOSA-N	00000000100000110001000110000000000000000000000000000000	25-01-129715
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)Cc1ccccc1	MCULE-6916745683	413.904	AUPQTENACXWJJJ-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-129716
COC(=O)c1c(NC(=O)CSCc2c(F)cccc2Cl)sc2c1CCC2	ZINC22_408574659	413.914	BFHIJPXKGFXBMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129717
Clc1ccc(n2c(c(cc2C)C(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_7224649	413.917	BFLOAOXXNUVQGE-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-129718
c1(c2CCCc2sc1NCc1cccnc1)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_306052,ZINC22_920876,BAS-03715684,EMOLS-id_1439587,PC-id_1166879,MCULE-1564815566	413.92	FRDKOHJLKOMSLG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-129719
c1(c2CCCc2sc1NCc1ccncc1)C(=O)Nc1c(OC)ccc(Cl)c1	EMOLS-id_1439589,PC-id_1166881,CoCoCo_306053,ZINC22_920878,BAS-03715685,MCULE-6563840213	413.92	BXLULGVBMNUVFA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-129720
Clc1ccc(C=C2Sc3scc([n+]3C2=O)CC(=O)Nc2ccccc2)cc1	PC-id_377533	413.92	JSDLDGCJKBHXFO-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-129721
Clc1cc(NC(=O)c2c3CCCc3sc2NCc2ncccc2)c(OC)cc1	ChEMBL-DNDi_CHEMBLK801-0200,PC-id_1166876	413.92	HCAKJTGZZZPORB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-129722
O=C(Cc1csc2[n+]1C(=O)/C(=C/c1ccc(Cl)cc1)/S2)Nc1ccccc1	ZINC22_1636867,SPECS-id_AT-225/NB50342,CoCoCo_5723855,PC-id_5467781	413.92	JSDLDGCJKBHXFO-YVLHZVERSA-O	00000010100000110001000010000000000000000000000000000000	25-01-129723
O=C(Cc1csc2[n+]1C(=O)/C(=Cc1ccc(Cl)cc1)/S2)Nc1ccccc1	ZINC22_17222836,CoCoCo_5723856,PC-id_6331227,GD-id_ZINC17222836	413.92	JSDLDGCJKBHXFO-LICLKQGHSA-O	00000010100000110001000010000000000000000000000000000000	25-01-129724
CCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)Cl	PC-id_20253935,SCHEMBL10817910	413.937	SXGRJJASDYKCJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129725
Clc1ccc(cc1)C(=O)CCC(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109706	413.94	SKKYZPGHIQFYPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129726
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1Cl	PC-id_24242366,EMOLS-id_17194192,ZINC22_15636403,MCULE-5588841995,CoCoCo_4164034	413.942	HZRIXQGLMVXWOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129727
Clc1c(cc(S(=O)(=O)N(CC)CC)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_51548046	413.942	FFCPQMUFQJWGGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129728
Clc1c(CC2N(CCC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cccc1	PC-id_53618001,MCULE-2810257640	413.963	KHQJZVSZUXUTRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129729
N#Cc1c(NC(=O)CCN2CCC[C@H]2Cc2ccccc2Cl)sc2c1CCC2	ZINC22_69923982,PC-id_95342474	413.963	KHQJZVSZUXUTRB-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129730
N#Cc1c(NC(=O)CCN2CCC[C@@H]2Cc2ccccc2Cl)sc2c1CCC2	ZINC22_69923985,PC-id_95342475	413.963	KHQJZVSZUXUTRB-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129731
C=CCNC(=O)C(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155177246	414.089	LTMHSZHBHYOWHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129732
Brc1cc2c(s1)C(=O)N(C2=O)CC(C(C(F)(F)F)(F)F)(F)F	PC-id_135271188,SCHEMBL20434478	414.094	ITZADFYOWOPBHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129733
Brc1cc(Br)cc(c1)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_103907579	414.095	BNIJDWPAKDSZFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129734
Brc1cc(Br)cc(c1)C(=O)NC(c1nnc2n1CCC2)C	PC-id_103908233	414.095	UKDURTIGLNNKAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129735
Brc1ccc(c(c1)Br)C(=O)N(Cc1nnc2n1CCC2)C	PC-id_103885246	414.095	BITOCXJGOILUJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129736
C1C2=C(CN1S(=O)(=O)CC3=CC=CC=C3)NN=C2C(C4=CC=CC=C4F)C(=O)N	PC-id_153863895	414.116	FJRUSDHMIWFKBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129740
C1C2=C(CN1S(=O)(=O)CC3=CC=CC=C3)NN=C2C(C4=CC(=CC=C4)F)C(=O)N	PC-id_153863896	414.116	GZKZIKXZSFVLSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129741
C1C2=C(CN1S(=O)(=O)CC3=CC=CC=C3)NN=C2C(C4=CC=C(C=C4)F)C(=O)N	PC-id_153863897	414.116	SYJZCLKKDOCANU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129742
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2CBr)c1	EMOLS-id_331011773,MCULE-3344920319	414.135	BQRGKKCXDXAVQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129743
COc1ccc(Br)c(Cn2nc(CBr)c3C(C)CCc23)c1	MCULE-1632539216,EMOLS-id_331032835	414.135	FBFDLKCJWUHVIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129744
COc1ccc(Cn2nc3CCC(C)c3c2CBr)c(Br)c1	EMOLS-id_331012029,MCULE-1526878761	414.135	OUHGOMFXUNIHLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129745
COc1ccc(Cn2nc(CBr)c3C(C)CCc23)c(Br)c1	EMOLS-id_331033091,MCULE-2313825955	414.135	PDRHQHZPFNBKSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129746
Brc1c(C(NC(c2n3CCCc3nn2)C)C)ccc(Br)c1	PC-id_60782128	414.138	OWYWXMXKCGYHNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129747
CN1C2=C(CNC2)C(=N1)C(=O)N3CCC(CC3)C4=C(C(=C(C=C4)F)F)C(F)(F)F	PC-id_161582724	414.148	WRCJMFVWJASJQN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129748
Ic1ccc(c(c1)F)Nc1c(C(=O)O)c2c(n1C)C(=O)CC2	PC-id_25124483,SCHEMBL4755553	414.17	CWSTVUSYEUKESI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129749
Ic1ccc(c(c1)F)NCc1[nH]c2c(c1C(=O)O)CCC2=O	PC-id_69176114,SCHEMBL4755557	414.17	MIQLXJNZOYYFME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129750
Ic1c(C(=O)Nc2nc3SCCn3c2C#N)ccc(F)c1	PC-id_60324064	414.197	HJQXHILIUWVZNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129751
c1(C(=O)OC)c2C(C)CCc2n(Cc2c(cccc2F)I)n1	EMOLS-id_330993657,MCULE-1271133744	414.213	SXNDKCZZAOPKSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129752
c1(C(=O)OC)c2C(C)CCc2n(Cc2cc(F)ccc2I)n1	EMOLS-id_330989818,MCULE-9481045288	414.213	BXUVDBCDJMRCQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129753
c1(C(=O)OC)c2C(C)CCc2nn1Cc1cc(F)ccc1I	MCULE-8750458557,EMOLS-id_330975669	414.213	DERXRSBFFNLELN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129754
COC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1I	EMOLS-id_330975413,MCULE-9724380825	414.213	XDWHKJSCSKILDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129755
CCCC[Sn](c1sc2c(c1)CNC2)(CCCC)CCCC	PC-id_140122542	414.227	IUFBODGNYWAFFQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129756
CCCC[Sn](c1sc2c(n1)CCC2)(CCCC)CCCC	SCHEMBL2152817,PC-id_67297261	414.227	BJQNIENEOLFGNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129757
Brc1ccc(c2noc(c2C(=O)c2cn3C(NC(=O)c3c2)(C)C)C)cc1	PC-id_71200782,SCHEMBL14546859	414.253	NBOUGIVKUFOANG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129758
Brc1ccc(Oc2ncccc2C(=O)NCc2n3CCCc3nn2)cc1	PC-id_39296830	414.256	VHABRPZXVZYFFZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-129759
CCOC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1)I	PC-id_104287404	414.261	VDAMLMGBAHMWFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129760
Clc1c(nc(Cl)cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_3985067	414.263	DVKITWTWZIFMLY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129763
NC(=O)c1c(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)sc2c1CCC2	MCULE-6014513069,PC-id_2078387,ZINC22_2616591,CoCoCo_2937570	414.263	OQFAVURWERKPFS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129764
Brc1ccc(cc1)c1cc(no1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-1455181211,EMOLS-id_15969802,PC-id_4195077,TIMTEC147287,ChEMBL-DNDi_CHEMBLC226-0551,ZINC22_2465546	414.276	FJZLPWCXTNACLK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129765
Brc1ccccc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324844275	414.276	LJODZYOJOTTXFD-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129766
Brc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324845296	414.276	NQOMLSCOZAEYAB-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129767
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1ccccc1	MCULE-3188081920	414.276	NQOMLSCOZAEYAB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129768
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1ccccc1	MCULE-3043492247	414.276	LJODZYOJOTTXFD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129769
CCC1C(=O)Oc2c1n(Cc1ccccc1)c(c2)C(=O)c1ccc(cc1Cl)Cl	SCHEMBL7684452,PC-id_54044329	414.281	LOMPUMVOWDAECF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129770
Brc1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109361	414.296	RWTQFRMPTIKHTB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129771
Brc1cccc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109362	414.296	ZLRJQFPUYWVTRJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129772
Brc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109363	414.296	GCAQEVOCSFWAOS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129773
Brc1cc(n2c(c(C(=O)NCc3n4CCCc4nn3)cc2C)C)ccc1	PC-id_52709921	414.299	IPVPTMQQTJOLQJ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-129774
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-9708792609,PC-id_18848622	414.303	SZQQLMCOWGAHSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129775
c1(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1851438,MCULE-4690170800,PC-id_1182439,ZINC22_941778,CoCoCo_5794519	414.303	PTDJLRPZVQIBQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129776
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-9070565865,STOCK2S-76538,CoCoCo_115072,PC-id_1000243,EMOLS-id_1259396,BAS-00670262,ZINC22_655388,SPECS-id_AG-690/36924061,TIMTEC593015,ChEMBL-DNDi_CHEMBL1683-0638	414.303	ZHFGEVORUXINFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129777
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	BAS-00837709,MCULE-9812398510,ChEMBL-DNDi_CHEMBL1988-1828,ZINC22_839110,CoCoCo_139281,PC-id_1107603,STOCK2S-58655,EMOLS-id_1281246	414.303	UBRUNWBEOLVOBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129778
CCOC(=O)c1c(NC(=O)COc2ccc(Cl)c(Cl)c2)sc2c1CCC2	EMOLS-id_43724680,CoCoCo_2925180,PC-id_5114281,MCULE-9330789208,ZINC22_6603049	414.303	FMBVUKWOVPZWCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129779
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1Cl	PC-id_7787706	414.303	OYKXJYDNOCJUCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129780
Clc1c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)ccc(Cl)c1	PC-id_3639960	414.303	HGDZGDHUMSEGEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129781
Cc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	EMOLS-id_324921344	414.308	SRBXTTNDRMKXCE-MDHDVOIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129782
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	EMOLS-id_45964875,ZINC22_16735644	414.308	XWRDXXHLNHAIAB-XEWCJNAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129783
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_324919808	414.308	NYKMYNOYKOVLCM-VBZZJEHLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129784
n12nc(nc1sc(=Cc1c(cccc1Cl)Cl)c2=O)C=Cc1ccc(cc1)C	MCULE-3082020383	414.308	WARXJFQDHYAVIX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129785
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)C=Cc1ccc(cc1)C	MCULE-7838854420	414.308	XWRDXXHLNHAIAB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129786
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)C=Cc1ccc(cc1)C	MCULE-5153677516	414.308	NYKMYNOYKOVLCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129787
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)C=Cc1ccc(cc1)C	MCULE-8617133043	414.308	SRBXTTNDRMKXCE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-129788
Cc1nn2c(n1)C(=NNc1cc(c(cc1Cl)S(=O)N)Cl)C(=N2)C(C)(C)C	PC-id_89393125	414.313	VBAINVLBNUEDSQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-129789
Cc1nc(c2cccc(Br)c2)ccc1C(=O)Nc1nc2c(s1)CCC2	PC-id_75413407,ZINC22_96009104,EMOLS-id_48208687,MCULE-6757141995	414.319	PHWWMCDFZQYCOU-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-129790
c1(NC(=S)NC(=O)c2cccc(Cl)c2Cl)sc2c(CCC2)c1C(=O)N	PC-id_4504958,CoCoCo_6648408,SPECS-id_AN-153/I259217,SPECS-id_AG-670/41728571,TIMTEC95065,EMOLS-id_4094659,MCULE-4100908289,ZINC22_16383823	414.329	CDRRDHBDYFYOQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129791
c1(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c(CCC2)c1C(=O)N	TIMTEC421079,ZINC22_16384906,PC-id_4504959,MCULE-2820916227	414.329	RDIVOXUVQASKOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129792
NC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2	ZINC22_16384458,PC-id_4504961	414.329	GZXUZSXIBBBQRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129793
NC(=O)c1c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2	ZINC22_16384799,PC-id_4504960	414.329	ASULWFLUVUGAMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129794
Brc1cc(c(nc1)CCCCNC1=NS(=O)(=O)c2c1csc2)C	PC-id_20140482,SCHEMBL10691614	414.34	QCQKSIIEBHLIBI-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-129795
Brc1cc(c(nc1)CCCCNC1=NS(=O)(=O)c2c1scc2)C	SCHEMBL10686296,PC-id_20140478	414.34	NXWBDUWBVGVBHQ-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-129796
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(cc([N+](=O)[O-])cc1)C(F)(F)F	PC-id_45637978	414.356	NNZDJFABHZSJJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129797
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(cc1)C(F)(F)F	PC-id_40925348	414.356	LGAYPPPJWTYFGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129798
CCn1ncc2c1CN(C2)C(=O)Nc1nc(ccc1[N+](=O)[O-])c1ccc(cc1F)F	PC-id_142527818	414.366	YOQGAPQSDVBMJT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-129799
CN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F	SCHEMBL18326638	414.372	KYGUTVPMEYZACM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129800
FC(F)(F)Oc1cccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1	EMOLS-id_31548342,MCULE-4440354499,PC-id_46861322	414.377	SVRUDYKZDHEBLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129801
FC(F)(F)Oc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	PC-id_46861323,MCULE-4101432254,EMOLS-id_31548344	414.377	HGKMONDLJAKANZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129802
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cccc(OC(F)(F)F)c1	ZINC22_51364543,PC-id_52340494	414.377	SVRUDYKZDHEBLN-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129803
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cccc(OC(F)(F)F)c1	ZINC22_51364544,PC-id_52340495	414.377	SVRUDYKZDHEBLN-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129804
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_52340496,ZINC22_51364545	414.377	HGKMONDLJAKANZ-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129805
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_52340497,ZINC22_51364546	414.377	HGKMONDLJAKANZ-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129806
CCC(C(=O)NCCCn1ccc(n1)[N+](=O)[O-])n1nc(c2CCCc12)C(F)(F)F	MCULE-2596408483,EMOLS-id_8867379,PC-id_19590943,TIMTEC438347	414.382	RWWDYOAGVIXDDT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129807
CCC(C(=O)NCCCn1cc(cn1)[N+](=O)[O-])n1nc(c2CCCc12)C(F)(F)F	MCULE-9759802657,TIMTEC552030,EMOLS-id_8867485,PC-id_19590993	414.382	XNMQBADMDNQOLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129808
CC[C@H](C(=O)NCCCn1ccc([N+](=O)[O-])n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092584,ZINC22_20607703	414.382	RWWDYOAGVIXDDT-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129809
CC[C@@H](C(=O)NCCCn1ccc([N+](=O)[O-])n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607702,PC-id_29092583	414.382	RWWDYOAGVIXDDT-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129810
CC[C@@H](C(=O)NCCCn1cc([N+](=O)[O-])cn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092519,ZINC22_20607612	414.382	XNMQBADMDNQOLD-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129811
CC[C@H](C(=O)NCCCn1cc([N+](=O)[O-])cn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092520,ZINC22_20607613	414.382	XNMQBADMDNQOLD-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129812
s1c2c(CCC2)c(c1NC(=O)Cn1cc(ccc1=O)C(F)(F)F)C(=O)OCC	PC-id_7277665	414.399	ZIVBBHIAFAZSTL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129813
s1c2c(CCC2)c(c1NC(=O)CNc1c(OC(F)(F)F)cccc1)C(=O)OC	PC-id_24615090	414.399	NYIMQIXYPNYDCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129814
COCCn1c2c(CN(C2)C(=O)Nc2c(ccc(n2)c2c(cc(cc2)F)F)N)cn1	SCHEMBL20392635,PC-id_135234338	414.409	BZQUPKVZEULAKY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-129815
COCCn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)c1ccc(F)cc1F	SCHEMBL20392572,PC-id_135234290,BindingDB-id_961280	414.409	LFROWVFEEUGWON-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-129816
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)c1ccco1	SCHEMBL2920840,PC-id_10201854	414.413	XIBNXKLWQQCLCA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129817
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)c1cocc1	SCHEMBL2914915,PC-id_10180015	414.413	XONWOKHYTOURKF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129818
OC(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)O)C1	PC-id_53487149	414.415	BQOZRJANVRVHKG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129819
c12C(=O)N(Cc1sc(N(C)C(=O)Nc1c(F)ccc(F)c1)n2)Cc1ccccc1	EMOLS-id_33030380,MCULE-6377135647,PC-id_53188458	414.428	QGIBWZZMOXMCCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129820
Fc1ccc(c(c1)F)NC(=O)N(c1sc2c(n1)C(=O)N(C2)Cc1ccccc1)C	EMOLS-id_33030388,MCULE-9798054166,PC-id_53188462	414.428	SPAUSKQTACWZAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129821
s1c2CN(Cc3ccc(F)cc3)C(=O)c2nc1NC(=O)Nc1c(c(F)ccc1)C	PC-id_53188486	414.428	FENJBQMAWUXBBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129822
Fc1ccc(C(=O)Nc2nn(C(=O)C3CC3)c3c2CN(C3)C(=O)OC(C)(C)C)cc1	PC-id_71476795	414.43	XJQMZODYGPVWAH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-129823
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C1CC1)c1ccc(cc1)F	PC-id_141257341	414.43	VPXLQTDGKNXUHJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-129824
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1occc1)C#N)C(=O)OCC	PC-id_78567133	414.432	QNSJDPNSXJGGHE-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-129825
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1occc1)/C#N)C(=O)OCC	PC-id_7914480	414.432	QNSJDPNSXJGGHE-FMIVXFBMSA-N	00000010101000000000000010000000000000000000000000000000	25-01-129826
S(=O)(=O)([N-]c1c(F)cccc1)c1cc(C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_30094912	414.433	QGMWFBYBAIZMPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129827
c1(NC(=O)COc2cccnc2NC(=O)CCC(=O)O)sc2c(CCC2)c1C#N	MCULE-6272411751,EMOLS-id_321806448	414.435	DOXHISYMUZVXKJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129828
COc1ccc(cc1c1ccc(=O)n(n1)CC(=O)Nc1onc2c1CSC2)OC	PC-id_121052314	414.435	YCHCEMSNPSSDET-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129829
COc1cc(ccc1OC)c1ccc(=O)n(n1)CC(=O)Nc1onc2c1CSC2	PC-id_121050262	414.435	CLEDZVZLZDQWCB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129830
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1)C#N	PC-id_7650400	414.435	GIWRNNMSYCMXRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129831
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(N(C)C)ccc([N+](=O)[O-])c1)C#N	PC-id_7684651	414.435	ZMBQPBLVAXWHNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129832
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(Cn2nccc2)cc1)C(=O)N	PC-id_55646887	414.435	DWMVQHNVBJIGMS-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-129833
COC(C(F)(F)F)(c1cc(O)c(c(c1)O)O)CC(=C)c1sc(c2c1CCC2)C	PC-id_144474557	414.439	XSGWQEPTPZLCFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129834
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)C(=O)NCC(F)(F)F)C#N	PC-id_56525601	414.445	MOISUNLMAMPDEE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129835
c1(NC(=O)c2cc(on2)c2ccc(c(F)c2)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_27663220,PC-id_17012739,TIMTEC348353,MCULE-6180583380,CoCoCo_6330033,EMOLS-id_10105550	414.45	OAGRUURPJKRLIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129836
c1(NC(=O)COc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_17012702,TIMTEC525659,ZINC22_27663158,EMOLS-id_10105484,MCULE-5138208165,CoCoCo_6329984	414.45	WKCHIZRPUZAHAG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-129837
c1(NC(=O)Cc2ccc(cc2)F)c2CSCc2nn1CC(=O)NCc1ccco1	MCULE-5518252662,PC-id_30862586,CoCoCo_5277698,ZINC22_23139312,EMOLS-id_24913423	414.453	QZFZENWBZBYHIO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-129838
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cc(nn1C)c1ccc(cc1)F	PC-id_121083929	414.453	IPHPSRLSVJCWKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129839
Cn1nc2c(c1NC(=O)c1ccc(NS(=O)(=O)c3ccc(F)cc3)cc1)CCC2	MCULE-3474761794,ZINC22_48302732,EMOLS-id_32093622,PC-id_47074584	414.453	AWMKXICDDONAPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129840
COC(=O)[C@@H](NC(=O)c1ccc2n1C(=O)C(=C2)Cc1ccccc1)Cc1ccccc1	PC-id_101173899	414.453	DTJMZOVPXQYTEV-NRFANRHFSA-N	00000011100000110000000010000000000000000000000000000000	25-01-129841
Fc1cccc(c1)CC(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2916695,PC-id_68440027	414.453	YHESIIKDHKUTDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129842
Fc1cccc(c1)CC(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251780	414.453	GRIOACWCHHHDBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129843
Fc1cccc(c1)CC(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2921553,PC-id_68441633	414.453	GSGLKEYSROYZII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129844
Fc1ccc(cc1)S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1ccccc1	MCULE-2038584152,EMOLS-id_316318005	414.453	AFWJXUHMXSRMHQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129845
O=C(Cc1ccccc1F)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251726	414.453	AIZANPLRYWWKBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129846
O=C(Cc1ccccc1F)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2925884,PC-id_68443432	414.453	KCCUEGZTPRCENI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129847
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)Cc1cccc(c1)F	PC-id_68441630,SCHEMBL2921549	414.453	VKYHDICLBQUKID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129848
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)Cc1ccc(cc1)F	PC-id_68442443,SCHEMBL2923530	414.453	WWDBQTUNQSWFSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129849
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)Cc1ccccc1F	SCHEMBL2918574,PC-id_68440664	414.453	CNXRBJFWXRWXLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129850
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)Cc1ccccc1F	PC-id_68440475,SCHEMBL2917964	414.453	MNPYFYHKJQJXNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129851
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)Cc1ccc(cc1)F	SCHEMBL2915786,PC-id_68439738	414.453	WLPFBUUKGOJZPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129852
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)Cc1ccc(cc1)F	PC-id_141251722	414.453	CJHNSYSAOMCJSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129853
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)Cc1ccc(cc1)F	SCHEMBL2923616,PC-id_68442477	414.453	MYWMLYHICIWUGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129854
S(=O)(=O)(c1ccc(cc1)F)NC1Cc2n(ncc2C(=O)NCc2ccccc2)C1	MCULE-2332013338	414.453	AFWJXUHMXSRMHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129855
CCC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)OC	PC-id_141417100	414.455	NPRJBWYRUQKURQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129856
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)N(c1ccc(cc1)C)C=O	PC-id_141257370	414.455	HRSFDQBCRZYRAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129857
O=C(c1sc2c(c1)CCC2)Nc1cc(sc1C(=O)O)c1cccc(c1)[N+](=O)[O-]	PC-id_17547514,CoCoCo_4425295	414.455	BUTSEYWTOPANLS-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-129858
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)CC)c1ccc(cc1)OC	PC-id_141257364	414.455	WHHKRGLDFIRYTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129859
O(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(cc2)C)C(=O)OCC)C1)C(C)(C)C	PC-id_71476646	414.455	OGBLUISONJYSMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129860
O(C(=O)N1Cc2c(n(nc2NC(=O)Cc2ccccc2)C(=O)OCC)C1)C(C)(C)C	PC-id_71476647	414.455	LFAUTWSYHHQMCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129861
Cc1ccc(cc1)C(=O)c1c(nc2n1CCC2)NC(=O)C(C)Oc1ccccc1C#N	PC-id_86817840,MCULE-6207740033,EMOLS-id_49968642	414.456	RSOWAPLDFDRJIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129862
Cc1ccc(cc1)NC(=O)c1c(c(c2n1CCC2)C#N)N=Cc1cc(c(cc1)O)OC	PC-id_135860202	414.456	GAALDAWZRAGQEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129863
Cc1ccc(C(=O)c2c(NC(=O)[C@@H](C)Oc3ccccc3C#N)nc3n2CCC3)cc1	ZINC22_170602893,PC-id_99789016	414.456	RSOWAPLDFDRJIV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129864
Cc1ccc(C(=O)c2c(NC(=O)[C@H](C)Oc3ccccc3C#N)nc3n2CCC3)cc1	ZINC22_170602894,PC-id_99789017	414.456	RSOWAPLDFDRJIV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129865
COc1cc(/C=N/c2c(C#N)c3n(c2C(=O)Nc2ccc(C)cc2)CCC3)ccc1O	CHEMBL568704	414.456	GAALDAWZRAGQEG-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-129866
O=C(Nc1ccc(cc1)C)c1n2c(CCC2)c(c1N/C=C
/C=C(OC)C(=O)C=C1)C#N	PC-id_45112441	414.456	BAQISOBMIDSCFZ-JQIJEIRASA-N	00000010100011110000000010000000000000000000000000000000	25-01-129867
O=C(Nc1ccc(cc1)C)c1n2c(CCC2)c(c1NC=C1C=C(OC)C(=O)C=C1)C#N	PC-id_75093582	414.456	BAQISOBMIDSCFZ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-129868
CC1(c2c(CN1C(=O)O)c(n[nH]2)NC(=O)c1ccc(cc1)N1CC[N+](CC1)(C)[O-])C	SCHEMBL3485165,PC-id_87534218	414.458	QAIFXSQRFWIMGE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129869
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324871692	414.458	QYZLXLSLPPNWCO-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129870
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324883969	414.458	LGULRADPOOMNLS-ZSOIEALJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129871
Cc1cccc(OCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)c1C	EMOLS-id_324877838	414.458	PVHGNTVSCPZSNA-ZSOIEALJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129872
CCc1cccc(OCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324887053	414.458	UNXDPAWROVVASD-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129873
CCc1ccc(OCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324890115	414.458	HECVHRARMIBNDU-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129874
COC(=O)[C@@H]1C[C@@H](n2cc(CC3(O)CCC3)nn2)CN1C(=O)[C@@H]1CCc2c[nH]nc12	ZINC22_2325872936	414.458	SIKAQQSMNPTMEC-OAGGEKHMSA-N	00001010100000000001100010000000000000000000000000000000	25-01-129875
COC(=O)[C@@H]1C[C@@H](n2cc(CC3(O)CCC3)nn2)CN1C(=O)[C@H]1CCc2c[nH]nc12	ZINC22_2325872937	414.458	SIKAQQSMNPTMEC-PMPSAXMXSA-N	00001010100000000001100010000000000000000000000000000000	25-01-129876
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCCOc1ccccc1	MCULE-5895159020	414.458	PCIVTYYNPQARQW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129877
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1ccc(cc1)CC	MCULE-5971856423	414.458	HECVHRARMIBNDU-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129878
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1cccc(C)c1C	MCULE-1027176683	414.458	PVHGNTVSCPZSNA-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129879
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1c(C)cccc1C	MCULE-6391548380	414.458	QYZLXLSLPPNWCO-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129880
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1cc(C)ccc1C	MCULE-8780547971	414.458	LGULRADPOOMNLS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129881
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1cccc(CC)c1	MCULE-6185178155	414.458	UNXDPAWROVVASD-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129882
O1C(CN2CCN(CC2)C(=O)c2ccc(N(C)C)cc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481643,SCHEMBL5543711	414.458	IULKQPPGNKVEPM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129883
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)s1	EMOLS-id_324852474	414.458	PCIVTYYNPQARQW-KAMYIIQDSA-N	00000000100100110001000010000000000000000000000000000000	25-01-129884
CC1(C)N(Cc2c(Nc3ccnc(n3)C#N)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL1940422,PC-id_67219265,BindingDB-id_218923,BindingDB_PC-id_67219265	414.463	FIVIYOSAGCZAPX-GOEBONIOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-129885
N#Cc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1	SCHEMBL1940421,PC-id_67219264	414.463	FIVIYOSAGCZAPX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-129886
CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]c3c2CCC3)[C@H](c2cccc(F)c2)C1	PC-id_100740658,ZINC22_225741390	414.473	MHMSLYLUAFIQNE-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129887
CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]c3c2CCC3)[C@@H](c2cccc(F)c2)C1	ZINC22_225741414,PC-id_100740666	414.473	MHMSLYLUAFIQNE-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129888
Fc1cccc(c1)C1CN(CCN1C(=O)c1n[nH]c2c1CCC2)C(=O)OC(C)(C)C	EMOLS-id_53831546,PC-id_119040441,MCULE-4342982544	414.473	MHMSLYLUAFIQNE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-129889
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_17377544,MCULE-1195981856,EMOLS-id_4094985,TIMTEC553417	414.475	XPCIEODDRXWCBW-UHFFFAOYSA-N	00000010101011000000000010000000000000000000000000000000	25-01-129890
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(=O)C)sc2c(CCC2)c1C(=O)NC	MCULE-4575187526	414.475	NHACODNTTFSJOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129891
CNC(=O)c1c(NC(=O)/C=C/c2ccc(OC(=O)C)c(OC)c2)sc2CCCc12	EMOLS-id_334329559	414.475	NHACODNTTFSJOD-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129892
O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832880,ZINC22_17089857,PC-id_27524910	414.475	XPCIEODDRXWCBW-ZIAGYGMSSA-N	00000010101011000000000010000000000000000000000000000000	25-01-129893
O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832881,PC-id_27524906,ZINC22_17089855	414.475	XPCIEODDRXWCBW-UONOGXRCSA-N	00000010101011000000000010000000000000000000000000000000	25-01-129894
O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832882,PC-id_27524908,ZINC22_17089856	414.475	XPCIEODDRXWCBW-KBPBESRZSA-N	00000010101011000000000010000000000000000000000000000000	25-01-129895
O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_17089858,PC-id_27524912,CoCoCo_6832883	414.475	XPCIEODDRXWCBW-KGLIPLIRSA-N	00000010101011000000000010000000000000000000000000000000	25-01-129896
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCC(=O)c1ccccc1)C)C(=O)N	PC-id_8459185	414.475	ZTNHHLDBNUFWOC-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129897
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCC(=O)c1ccccc1)C)C(=O)N	PC-id_8459186	414.475	ZTNHHLDBNUFWOC-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129898
s1c2c(CCC2)c(c1NC(=O)COc1c(OCC)cc(cc1)C#N)C(=O)OCC	PC-id_7992832	414.475	KOQMNNHPQOLOLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129899
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(COCC)c(OC)cc1)C#N	PC-id_8618973	414.475	ROFDOOMUAOVMSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129900
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OCC)c(OCC)cc1)C#N	PC-id_8708067	414.475	NRGWMNZPRINVEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129901
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OC(C)C)cc1)C#N	PC-id_16501129	414.475	XNLAWLKKOVXSAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129902
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(OCC)cc1)C(=O)N	PC-id_78674014	414.475	JLESBGLUIMOQMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129903
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC)cc1)C(=O)N	PC-id_8356583	414.475	JLESBGLUIMOQMC-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129904
s1c2CCCc2c(c1NC(=O)COC(=O)CCc1cc(OC)c(OC)cc1)C#N	PC-id_8310838	414.475	RXIIMAIGRWZXII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129905
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OCC)cccc1)C(=O)N	PC-id_7850625	414.475	LQPWCMGHLRTBGX-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129906
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OCC)cccc1)C(=O)N	PC-id_78553758	414.475	LQPWCMGHLRTBGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129907
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(cc1)C)C(=O)N	PC-id_4575224	414.475	HTGSTBNFGQOCOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129908
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCC(=O)c1ccccc1)C)C(=O)N	PC-id_78702607	414.475	ZTNHHLDBNUFWOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129909
s1c2CCCc2c(c1NC(=O)COC(=O)CCCOc1ccc(OC)cc1)C#N	PC-id_7147022	414.475	SCYRCOPSZUVWHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129910
s1c2CCCc2c(c1NC(=O)COC(=O)CCOc1ccc(OCC)cc1)C#N	PC-id_16535248	414.475	UJHUENBHCHNAIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129911
s1c2CCCc2c(c1NC(=O)COC(=O)COc1c(OCCC)cccc1)C#N	PC-id_7791118	414.475	DWDNSVYZJVXXIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129912
CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)c[n-]n2)CC(=O)O	PC-id_144875319	414.476	LFFBLJHPJFTMBZ-NRFANRHFSA-M	00000010100000110001000010000000000000000000000000000000	25-01-129913
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)Nc1cccc(c1)F	BindingDB_PC-id_10431940,PC-id_10431940	414.476	QVMLLKMJKQGGDX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-129914
c1(cnn(C)c1C)c1noc(c1)C(=O)Nc1sc2CCCc2c1C(=O)OC(C)C	MCULE-8130020271,ZINC22_13641860,TIMTEC414126,EMOLS-id_8867093,PC-id_19590803	414.478	QVQVJQXPUMPROT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-129915
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCCCC2)sc2c(CCC2)c1C(=O)N	CoCoCo_565505,MCULE-7775784826,ZINC22_4759845,EMOLS-id_2514649,PC-id_2979082	414.478	JMIVSRHBIAGZRI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-129916
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C(=O)OCC)C2)n(C)nc2CSCc12	MCULE-1045983900,EMOLS-id_334564795	414.478	FWWCCIBUFAPCFK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129917
c1(NC(=O)COc2cccnc2NC(=O)OC(C)CC)sc2c(CCC2)c1C#N	EMOLS-id_321794854,MCULE-8716332422	414.478	CNKHTUDVJSAZTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129918
c1(NC(=O)COc2cccnc2NC(=O)OCC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321796901,MCULE-3394613868	414.478	YVTLMBXNTDRSJE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129919
c1(NC(=O)COc2cccnc2NC(=O)OCCCC)sc2c(CCC2)c1C#N	EMOLS-id_321797157,MCULE-5956436245	414.478	NPFFDBANRXFQII-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129920
c1(NC(=O)COc2cccnc2NC(=O)OC(C)(C)C)sc2c(CCC2)c1C#N	MCULE-5903815456,EMOLS-id_321810288	414.478	GUDSDJIXOULTQY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129921
c1(NC(=O)COc2cn(c(cc2=O)C)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-3724487722,EMOLS-id_331628997	414.478	OFKQLQXQDQUDKN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129922
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)N1CCCCC1	ZINC22_256055421,PC-id_117588465	414.478	GPDPWLFHULRARF-BOPFTXTBSA-N	00000000100010110001000010000000000000000000000000000000	25-01-129923
COc1ccc(cc1)CCN1C(=O)N[C@H](C1=O)CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_48571040,MCULE-4971446811,PC-id_71828023,ZINC22_96118439,STOCK7S-44754	414.478	GXTQOFDGIITKLB-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129924
COc1ccc(cc1)CN1C(=O)N[C@H](C1=O)CCC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_49249988,MCULE-5757434503,PC-id_75490772,STOCK7S-47804,ZINC22_96232620	414.478	KVFNADNSRSMDEU-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129925
COc1ccc(CCN2C(=NC(CC(=O)/N=c/3[nH]c4CCCc4s3)C2=O)O)cc1	MCULE-8081011429,PC-id_75356807,EMOLS-id_50400991	414.478	GXTQOFDGIITKLB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-129926
COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1	ZINC22_206246023,PC-id_99871248	414.478	GXTQOFDGIITKLB-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129927
COc1ccc(CN2C(=NC(CCC(=O)/N=c/3[nH]c4CCCc4s3)C2=O)O)cc1	EMOLS-id_50403745,PC-id_75356870,MCULE-3913137387	414.478	KVFNADNSRSMDEU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-129928
COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1	PC-id_99871293,ZINC22_206247891	414.478	KVFNADNSRSMDEU-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129929
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)N1CCCCC1)c2=O	MCULE-2079602156	414.478	GPDPWLFHULRARF-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-129930
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1NNC(C1)c1ccccc1)C(=O)N	PC-id_74710614	414.478	RCAQKETVKZMSGK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129931
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1)C(=O)OC	PC-id_4065542	414.478	KJSVUNPLONYJEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129932
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)OC	PC-id_6001553	414.478	KJSVUNPLONYJEE-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129933
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1ccccc1)C(=O)OCC	PC-id_49707184	414.478	IYEARXIEVRORMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129934
c1(cn(c(C)n1)C)S(=O)(=O)N[C@H]1Cc2n(ncc2C(=O)NCc2ccccc2)C1	EMOLS-id_316320565,MCULE-5396665409	414.481	NSVQYOXBFPZRED-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129935
O=C(c1cnn2c1CC(C2)NS(=O)(=O)c1cn(c(n1)C)C)NCc1ccccc1	MCULE-6363559656	414.481	NSVQYOXBFPZRED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129936
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4575663943	414.493	KKKQVCUCPVBSSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129937
c1(NC(=O)C=Cc2cccc(F)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8682413588	414.493	NLWWVGLFMPUJPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129938
Fc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)c1	EMOLS-id_334339746	414.493	NLWWVGLFMPUJPJ-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129939
Fc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334333351	414.493	KKKQVCUCPVBSSI-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129940
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC(=O)OCCOC)C(=O)OC	PC-id_17338819	414.496	MIEMCKQLOZYCPT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-129941
CCOC(=O)c1c(NC(=O)c2ccc(cc2)Oc2nccs2)sc2c1CCC2	PC-id_92072669	414.498	VKXZRAXOXVKQRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129942
COc1ccc(c2csc(NC(=O)COC(=O)c3cc4c(s3)CCC4)n2)cc1	EMOLS-id_3403570,PC-id_4784752,CoCoCo_2840765,ZINC22_6085932,MCULE-3495183909	414.498	NUAPKKRLYZCUGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129943
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(SCC(=O)C)cccc1)C#N	PC-id_8333699	414.498	WFVIILBOTSIRSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129944
c12c(CCC1C(=O)OCC)sc(NC(=O)c1csc(Nc3ccccc3)n1)n2	PC-id_45503645,EMOLS-id_29779702,MCULE-4723140968	414.501	XIPKGCLKJGSHKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129945
c1(C(=O)NC2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1CN1CCCCC1	MCULE-1914436997	414.501	DXFDJFHBIOPVPT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129946
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1CN1CCCCC1	MCULE-7999206391,EMOLS-id_316326204	414.501	DXFDJFHBIOPVPT-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-129947
c1(NC(=O)CSc2nnc(c3cccc(C)c3)o2)sc2c(CCC2)c1C(=O)N	PC-id_53264997,MCULE-8517792580	414.501	QJRKJGGKXCAKSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129948
Cc1c(cnn1c1ccccc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	PC-id_89238543,SCHEMBL14057306	414.501	BAVYDTAATZJCJJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129949
CC(C)(C)NC(=O)NCc1nnc2n1C(CC2)C(=O)NCCc1ccc(cc1)OC	PC-id_134798148	414.501	SZZQRSNBAFBBCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129950
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)c1ccnn1C	PC-id_89237846,SCHEMBL14056500	414.501	HDUHJEPDBYDOFY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129951
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1cccc(c1)c1ccnn1C	SCHEMBL14054823,PC-id_89236420	414.501	GJXDTNXBJFABEN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129952
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3csc(Nc4ccccc4)n3)nc12	CoCoCo_5284934,PC-id_51868385,ZINC22_36709296	414.501	XIPKGCLKJGSHKE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129953
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3csc(Nc4ccccc4)n3)nc12	ZINC22_36709294,CoCoCo_5284935,PC-id_51868384	414.501	XIPKGCLKJGSHKE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129954
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL1205787,PC-id_58015674	414.501	LCMVPHMHNCOIID-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129955
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N[C@@H](c1ccccc1)CN(C)C)N	SCHEMBL1370277,PC-id_67008665	414.501	VPWJODWBRNVFJQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129956
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N[C@H](c1ccccc1N(C)C)C)N	PC-id_67008666,SCHEMBL1370281	414.501	HDODQAPMLFUVCN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129957
NC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)o2)sc2c1CCC2	MCULE-3399329848,CoCoCo_3088922,ZINC22_6543921,PC-id_7994608,EMOLS-id_16680831	414.501	KHDHIPIWPKPYGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129958
O=C(N1C(c2n(nc(N)c2C1)C(=O)OCC)(C)C)NC(c1c(N(C)C)cccc1)C	PC-id_77166214	414.501	HDODQAPMLFUVCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129959
O=C(N1C(c2n(nc(N)c2C1)C(=O)OCC)(C)C)NC(CN(C)C)c1ccccc1	PC-id_77166213	414.501	VPWJODWBRNVFJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129960
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)/C=C/c1cccs1	PC-id_68439389,SCHEMBL2914883	414.501	LXEKPYGQZNZYCV-CMDGGOBGSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129961
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)C=Cc1cccs1	SCHEMBL2914887,PC-id_68439391	414.501	LXEKPYGQZNZYCV-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129962
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)/C=C/c1ccsc1	SCHEMBL2923985,PC-id_68442630	414.501	AEDHLJCWXUNSNZ-VOTSOKGWSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129963
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)C=Cc1ccsc1	SCHEMBL2923990,PC-id_68442631	414.501	AEDHLJCWXUNSNZ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129964
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)C=Cc1cccs1	SCHEMBL2919079,SCHEMBL2914886,PC-id_68439390	414.501	DFDKSQFNTVGTQP-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129965
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)C=Cc1cscc1	PC-id_68441111,SCHEMBL2919905	414.501	ZVQWKGYAOSQIBA-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129966
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1)/C=C/c1cscc1	SCHEMBL2919902,PC-id_68441110	414.501	ZVQWKGYAOSQIBA-VOTSOKGWSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129967
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)C=Cc1cccs1	PC-id_141251704	414.501	NEUADZBVLQFZFN-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129968
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)C=Cc1cscc1	PC-id_141251762	414.501	QIRHJSICBVIBAL-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129969
O=C(Nc1sc2c(c1C(=O)O)CCC2)CSc1nnc(n1C)c1ccccc1	SCHEMBL21082792,PC-id_138706448	414.501	VYUXMAYCZZKAIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129970
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1oc(nn1)c1ccccc1)C)C(=O)N	PC-id_8332208	414.501	MRNJJBDFQOSIQE-JTQLQIEISA-N	00000010100000110001100010000000000000000000000000000000	25-01-129971
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1oc(nn1)c1ccccc1)C)C(=O)N	PC-id_8332209	414.501	MRNJJBDFQOSIQE-SNVBAGLBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129972
s1c2c(CCC2)c(c1NC(=O)Cn1nc(c2sc(cc2)C)ccc1=O)C(=O)N	PC-id_56239118	414.501	UYXIYCUJIZJQRE-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-129973
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2ccccc2)cnn1)C(=O)OC	PC-id_17307816	414.501	AFLVSHMOMDQJIP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129974
s1c2c(CCC2)c(c1NC(=O)CSc1nc(c(cc1C#N)C(=O)C)C)C(=O)N	PC-id_29629336	414.501	ULDBOWHKGBZEJE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-129975
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(cccc1)C)C(=O)N	PC-id_7682937	414.501	SNEORIAEZRRHDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129976
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(cc1)C)C(=O)N	PC-id_7816277	414.501	KCUNQBBQJZWWPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129977
s1c2c(CCC2)c(c1NC(=O)C(Sc1oc(nn1)c1ccccc1)C)C(=O)N	PC-id_78668005	414.501	MRNJJBDFQOSIQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129978
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1scc(n1)C	PC-id_16947926	414.501	MROAAOBSGOHNDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129979
S(=O)(=O)(N1Cc2c([nH]nc2NC(=O)/C=C/c2sccc2)C1)Cc1ccccc1	PC-id_68440818	414.501	DFDKSQFNTVGTQP-CMDGGOBGSA-N	00000010100100110001000010000000000000000000000000000000	25-01-129980
Cc1cccc(n2nnnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_3116259,EMOLS-id_43784532,MCULE-9110754514,PC-id_2484565,ZINC22_3366838	414.505	IYECKLCKRBYPKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129981
CC(C)[C@H](NC(=O)C(=O)N[C@H](c1nnc2n1CCC2)C(C)C)c1nnc2n1CCC2	ZINC22_2325723079	414.505	RZZAYOLMZSBYES-HOTGVXAUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129982
CC(C)[C@@H](NC(=O)C(=O)N[C@@H](c1nnc2n1CCC2)C(C)C)c1nnc2n1CCC2	ZINC22_2325723080	414.505	RZZAYOLMZSBYES-HZPDHXFCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129983
CC(C)[C@H](NC(=O)C(=O)N[C@@H](c1nnc2n1CCC2)C(C)C)c1nnc2n1CCC2	ZINC22_2325723081	414.505	RZZAYOLMZSBYES-IYBDPMFKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-129984
CCOc1ccnc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN([C@@H](C1)C)C	SCHEMBL14103855,PC-id_71070275	414.505	XCEHYHIZOCTMFC-CYBMUJFWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129985
CCOc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN([C@@H](C1)C)C	PC-id_59333952,SCHEMBL13335206	414.505	IJYROFRVVSKCEV-CYBMUJFWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129986
NC(=O)c1c(NC(=O)CSc2nnnn2Cc2ccccc2)sc2c1CCC2	CoCoCo_4302395,MCULE-4803697450,ZINC22_9908773,PC-id_16371682,EMOLS-id_11823043	414.505	UTIJCPLVZXCYAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-129987
O=C(N1C(c2[nH]nc(Nc3nc(OCC)ccn3)c2C1)(C)C)N1CC(N(CC1)C)C	PC-id_78001100	414.505	XCEHYHIZOCTMFC-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129988
O=C(N1C(c2[nH]nc(Nc3nc(OCC)ncc3)c2C1)(C)C)N1CC(N(CC1)C)C	PC-id_72257741	414.505	IJYROFRVVSKCEV-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-129989
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)C)C(=O)N	PC-id_18075749	414.505	BOIDHSXOUSDLPA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-129990
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccncc1)C)C(=O)N	PC-id_7895018	414.505	ORZDYGPMBKBIRM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-129991
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(cc1)C)C(=O)N	PC-id_2615679	414.505	RXYGSPSBKBCGBX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129992
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(cccc1)C)C(=O)N	PC-id_7646529	414.505	WKJMMXLECGQVAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-129993
s1c2CCCc2cc1C(=O)N(CC(=O)NCc1sccc1)c1ccc(F)cc1	PC-id_3228398	414.516	WPGHWTQKTRYVFB-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-129994
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4617735156,EMOLS-id_334334117	414.518	ZDIQLWKSYQEPJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129995
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3909900425,EMOLS-id_334337954	414.518	HYZFDXCTASFLQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129996
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_19114686,EMOLS-id_334336930,MCULE-6394977625	414.518	UQTDVDVIMOBGEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129997
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6403042855	414.518	KEFOEGUIEHGTFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129998
c1(NC(=O)CC(C)CC(=O)O)sc2c(CCC2)c1C(=O)NCc1ccc(C)cc1	PC-id_17376990,TIMTEC90297,EMOLS-id_4095349,MCULE-2532150436	414.518	BYIPSCSKWUAGRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-129999
c1(NC(=O)CCOc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334338979,MCULE-6934391875	414.518	WGGOHTVPBJEULV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130000
c1(NC(=O)COCc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8289846463,EMOLS-id_334338977	414.518	MPHRDBVMJREKBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130001
Cc1ccc(CNC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCC3)cc1	CoCoCo_6867277,PC-id_27524945,ZINC22_17089987	414.518	BYIPSCSKWUAGRA-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130002
Cc1ccc(CNC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCC3)cc1	ZINC22_17089986,CoCoCo_6867278,PC-id_27524943	414.518	BYIPSCSKWUAGRA-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130003
CCC(C(c1ccccc1)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_43708421,PC-id_18275499,MCULE-3558893952	414.518	RPUSUHHXDOJVAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130004
CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	PC-id_7772486,ZINC22_5681221	414.518	RPUSUHHXDOJVAS-UGSOOPFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130005
CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	PC-id_7772488,ZINC22_5681229	414.518	RPUSUHHXDOJVAS-FZKQIMNGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130006
CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	ZINC22_5681216,PC-id_7772483	414.518	RPUSUHHXDOJVAS-ACJLOTCBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130007
CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	ZINC22_5681233,PC-id_7772491	414.518	RPUSUHHXDOJVAS-SCLBCKFNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130008
CCOC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCC2	ZINC22_408576446	414.518	UVXWJFJZDYJCPR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130009
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2CCCc12	EMOLS-id_334386709	414.518	KEFOEGUIEHGTFB-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130010
OC1CCN(CC1)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	PC-id_139391484,SCHEMBL21247299	414.518	PMGOYQMWCRLVIF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-130011
O=C(c1ccc(cc1)NC1CCOCC1)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	PC-id_139391355,SCHEMBL21247149	414.518	FDPLWJKXLFLEMO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130012
s1c2CCCc2cc1C(=O)OCC(=O)N(CCC)CC(=O)Nc1c(cccc1)C	PC-id_45637963	414.518	TZAYZJFMKKEQIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130013
s1c2c(CCC2)c(c1NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC(=O)OCC	PC-id_7521547	414.518	KWZBKQRFQLMJBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130014
s1c2c(CCC2)c(c1NC(=O)Cc1c(cc(cc1C)C)C)C(=O)NC(=O)OCC	PC-id_41642817	414.518	IMJHUJMVRWOXDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130015
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(C(C)C)cc1)C(=O)NC(=O)OCC	PC-id_41362760	414.518	QPYLEVOSPFAQQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130016
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1ccc(cc1)CC)C)C(=O)N	PC-id_8998826	414.518	NWMWWKOBCSBGPR-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130017
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1ccc(cc1)CC)C)C(=O)N	PC-id_8998827	414.518	NWMWWKOBCSBGPR-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130018
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c(c(c(c1C)C)C)C)C)C(=O)N	PC-id_7235426	414.518	MECKGNHTVKRHKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130019
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1ccc(cc1)CC)C)C(=O)N	PC-id_84896913	414.518	NWMWWKOBCSBGPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130020
C(=Cc1ccc(cc1)OCC)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-6318296677	414.519	BXQLUNMDJQLOAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130021
CCOc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C#N)c2ccccc2)cc1	EMOLS-id_327873174	414.519	BXQLUNMDJQLOAZ-RCCKNPSSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130022
CN(C1Cn2c(C1)cc(n2)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)F)C	MCULE-7468338017	414.52	HPMUUWQGOQCXBS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130023
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCCCN1CCN(CC1)c1ccc(F)cc1	EMOLS-id_316326711,MCULE-1643441895	414.52	HPMUUWQGOQCXBS-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130024
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1CC(=O)NCC1CCCO1	MCULE-4021442650,EMOLS-id_44394030,PC-id_44053131	414.521	JNGZISPOIIBFMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130025
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)OC)C2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5530903,MCULE-8521999581,PC-id_18562013	414.521	YXBZYFQWMQEECR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130026
c1(NC(=O)Cc2cccc(C)c2)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053186,EMOLS-id_24913395,MCULE-7715362183	414.521	FXDMCCISXDVMMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130027
c1(NC(=O)COc2cn(c(cc2=O)C)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331630020,MCULE-1098898170	414.521	XGVQTCCVPKEWLS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130028
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCC)sc2CCCc2c1C#N	EMOLS-id_331921682,MCULE-2222447468	414.521	ASGWDXDFNXAZER-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130029
Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_18906994,ZINC22_12941143,CoCoCo_3586688,CHEMBL1561569,MCULE-1877982078,ChEMBL-DNDi_CHEMBL1561569,CoCoCo_3586689,PC-id_24981736,BindingDB-id_110689,BindingDB_PC-id_24981736	414.521	NLYWXLODSDHSJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130030
Cc1cccc(CC(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)c1	CoCoCo_5277681,ZINC22_23139261,PC-id_30862546	414.521	FXDMCCISXDVMMM-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130031
Cc1cccc(CC(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)c1	ZINC22_23139258,CoCoCo_5277680,PC-id_30862543	414.521	FXDMCCISXDVMMM-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130032
Cc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1C	ZINC22_90557751,PC-id_97104263	414.521	JNGZISPOIIBFMQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130033
Cc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1C	ZINC22_90557752,PC-id_97104264	414.521	JNGZISPOIIBFMQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130034
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)c1ccccc1O	EMOLS-id_11833551,MCULE-2588282192,PC-id_16376645	414.521	SQVUOPJODVOWDZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130035
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(c2ccccc2O)CC1	PC-id_9432766,ZINC22_57296895,CoCoCo_4224592,CoCoCo_4224591	414.521	SQVUOPJODVOWDZ-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130036
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(c2ccccc2O)CC1	ZINC22_57296898,CoCoCo_4224593,PC-id_9432769,CoCoCo_4224594	414.521	SQVUOPJODVOWDZ-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130037
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(c2ccc(O)cc2)CC1	PC-id_9276876,ZINC22_57273924,CoCoCo_4223980,CoCoCo_4223979	414.521	ISWYVLVOSFVVPS-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130038
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(c2ccc(O)cc2)CC1	ZINC22_57273922,CoCoCo_4223978,PC-id_9276873,CoCoCo_4223977	414.521	ISWYVLVOSFVVPS-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130039
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(CC(C)C)nn3c2=O)cc1	EMOLS-id_324859616	414.521	PTFIMRNAXJWFRS-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-130040
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)cc1	EMOLS-id_324853475	414.521	BKYNWBLKDSHXIF-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130041
COc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	PC-id_8687802,EMOLS-id_11976433,ZINC22_35268038,MCULE-4489519949,CoCoCo_3369421,CoCoCo_3369422	414.521	KUAIXFHAPLPFPM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130042
COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CSC4)CC2=O)cc1	CoCoCo_5065558,PC-id_7483989,ZINC22_5077207	414.521	YXBZYFQWMQEECR-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130043
COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C(C)(C)C)CSC4)CC2=O)cc1	PC-id_7483991,ZINC22_5077209,CoCoCo_5065557	414.521	YXBZYFQWMQEECR-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130044
COc1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	ZINC22_36447028,MCULE-6578501116,EMOLS-id_16666594,CoCoCo_2855611,PC-id_8587788,CoCoCo_2855612	414.521	BFXROYMPFACEJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130045
n12c(=O)c(=Cc3ccc(cc3)OCC(=O)N(CC)CC)sc1nc(C(C)(C)C)n2	MCULE-1605265172	414.521	BKYNWBLKDSHXIF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130046
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)CC(C)C	MCULE-3392198647	414.521	PTFIMRNAXJWFRS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130047
Oc1ccc(cc1)N1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_11792219,MCULE-7514946735,PC-id_16348010	414.521	ISWYVLVOSFVVPS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130048
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C(=O)N	PC-id_8592611	414.521	JCDCDHACULGDNU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130049
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccc1)C(=O)OCC	PC-id_4818558	414.521	CQYNARXKGLUKPN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-130050
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)Nc1ccc(cc1)C)C)C)C(=O)N	PC-id_46559655	414.521	SDPZSJZZBNLTLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130051
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1c(c(ccc1)C)C)C)C(=O)N	PC-id_9288150	414.521	FOCMTTLUSCNCKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130052
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1c(CC)cccc1)C)C(=O)N	PC-id_9304295	414.521	ZCYXSADYVQJOKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130053
S1Cc2c(NC(=O)C3CCCC3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053516	414.521	AMMLXVSCNTUDLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130054
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C1CN(C(=O)C1)c1cc(OC)ccc1	PC-id_44973869	414.521	YWLXAEGXLHIHFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130055
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)C1CN(C(=O)C1)c1c(OC)cccc1	PC-id_44973868	414.521	JDNOIJKDICHQRM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130056
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)[C@H]1CN(C(=O)C1)c1cc(OC)ccc1	PC-id_7483984	414.521	YWLXAEGXLHIHFH-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130057
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)[C@@H]1CN(C(=O)C1)c1cc(OC)ccc1	PC-id_7483986	414.521	YWLXAEGXLHIHFH-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130058
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)[C@H]1CN(C(=O)C1)c1c(OC)cccc1	PC-id_7483980	414.521	JDNOIJKDICHQRM-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130059
S1Cc2c(n(nc2C1)C(C)(C)C)NC(=O)[C@@H]1CN(C(=O)C1)c1c(OC)cccc1	PC-id_7483981	414.521	JDNOIJKDICHQRM-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130060
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(cc(c1)C)C	PC-id_44053130	414.521	JQBFJUBMVKPHCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130061
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)CCc1ccccc1	PC-id_44053189	414.521	QOHOOGKMRKSOOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130062
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1=NN=C(CS1)c1ccccc1	MCULE-1812109847,EMOLS-id_328221051	414.523	USNPHMKLUFAQTP-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-130063
c1(NC(=O)CCCC(=O)N2CCN(CC2)c2ccccn2)n(C)nc2CSCc12	MCULE-5335170153,ZINC22_604418938,STOCK7S-66963,EMOLS-id_188944182	414.524	SPVWUEPQJFJRBX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-130064
CN(CC1CCCN1c1cccnn1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_86894767	414.524	YGBLPYILQSKTSV-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-130065
s1nc(SCCS(=O)O)nc1N/N=C/1C(=Nn2c1nnc2C)C(C)(C)C	PC-id_23568022	414.529	LTKFVGWYSYSIRX-LZYBPNLTSA-N	00000011100000000001000010000000000000000000000000000000	25-01-130066
s1nc(SCCS(=O)O)nc1N/N=C
/C(=Nn2c1nnc2C)C(C)(C)C	PC-id_58630403	414.529	LTKFVGWYSYSIRX-PXNMLYILSA-N	00000011100000000001000010000000000000000000000000000000	25-01-130067
s1nc(SCCS(=O)O)nc1NN=C1C(=Nn2c1nnc2C)C(C)(C)C	PC-id_74063321	414.529	LTKFVGWYSYSIRX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-130068
O=C(CCCN1CCN(CCC2Cc3sccc3C2=O)CC1)c1ccc(F)cc1	CHEMBL95112,BindingDB_PC-id_10093238,PC-id_10093238	414.536	AFYKQUVNHCGGNK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130069
Cc1cc(cc(c1OCC(CO)O)C)CCC(=O)n1c2c(C(CC2)C(C)C)c(n1)C	PC-id_90362722,SCHEMBL15978922	414.538	RFJCXTMRFAGCJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130070
CCCC(=NC(=C)c1ccc(c(c1)C)F)N(CC(=O)N1Cc2c(C1)nc(s2)C)C	PC-id_145588850	414.539	XYWBZEPMAMHPJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130071
COc1ccc(cc1)C1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3237031634,EMOLS-id_328341649	414.539	QFIPYTPTSWVXBI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-130072
c1(c2CCCc2sc1NCc1cccs1)C(=O)Nc1ccc(cc1OC)OC	ZINC22_729131,PC-id_1050793,SPECS-id_AE-848/42024837,CoCoCo_945766,EMOLS-id_2460611,MCULE-3932257841	414.541	DJABWFAHGUUFQO-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-130073
c1(c2CCCc2sc1NCc1cccs1)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_798208,MCULE-2872205439,BAS-06100812,EMOLS-id_1476171,CoCoCo_345092,PC-id_1082677	414.541	ZIXPKKAKGGBXLY-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-130074
c1(NC(=O)CS(=O)CC(=O)c2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320646132,MCULE-1483638438	414.541	BRPMLDHJNNJQMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130075
CCCCOc1ccccc1N1CCN(CC1)CCCn1c(c2CCCn2c1=O)O	PC-id_91931496,BindingDB_PC-id_91931496	414.541	GRVCDCWEQGFGJT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130076
s1c2c(CCC2)c(c1NC(=O)CC[NH+](Cc1c(cc(OC)c(OC)c1)C)C)C#N	PC-id_32117310	414.541	PBGYQDJUIPYYPX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130077
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1ccccc1)C(=O)OC	PC-id_51601369	414.541	LXJDPHRKHKYWND-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-130078
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)Nc1ccc(OCC)cc1	PC-id_7381589	414.541	ICIOCDGZWWHDTR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130079
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCC1)C(=O)Nc1c(OC)cccc1	PC-id_7114925	414.541	HBKYGWMJYUXSMJ-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-130080
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)Nc1c(cc(cc1)C)C	PC-id_7381421	414.541	LVQZOMYHMPOBKW-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-130081
s1c2CCCc2c(c1NC(=O)COC(=O)CCSc1cc(c(cc1)C)C)C#N	PC-id_8263620	414.541	RFJIXNSGXIGCCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130082
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1ccc(cc1)C)C(=O)OCC	PC-id_4477527	414.541	VGOBMXSZSDVHKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130083
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1ccc(cc1)C)C(=O)OCC	PC-id_6121991	414.541	VGOBMXSZSDVHKB-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130084
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(CC1)NS(=O)(=O)C	EMOLS-id_15260615,PC-id_42929189,MCULE-7077337963	414.543	HTPICJXYSQXIQS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-130085
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(NS(=O)(=O)C)CC1	CoCoCo_4447924,ZINC22_11105175,CoCoCo_4447923,PC-id_41819815	414.543	HTPICJXYSQXIQS-SNVBAGLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-130086
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(NS(=O)(=O)C)CC1	ZINC22_11105173,CoCoCo_4447921,CoCoCo_4447922,PC-id_41819813	414.543	HTPICJXYSQXIQS-JTQLQIEISA-N	00000010100010000000000010000000000000000000000000000000	25-01-130087
CC(N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1)c1cccnc1	MCULE-1658319286,EMOLS-id_328340370	414.543	NLMDOOQJSXTANW-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-130088
CN1CCN(CC1)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328219771,MCULE-2270968784	414.543	RQWSGYLJGDXJFY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130089
CC(C)(C)c1nn2C(NNc2c1)C(C)(C)C(C)(C)NC(=O)COc1ccccc1N	PC-id_136636222	414.544	HQAUABYHEOFOJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130090
s1c2CCCc2c(c1NC(=O)CN(CC(=O)Nc1c(SC)cccc1)C)C#N	PC-id_8110816	414.544	AWTGBCWEOFKJMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130091
S1c2n(CC1)cc(n2)CNC(=O)CC1[NH+](CCNC1=O)CCCc1ccccc1	PC-id_74778796	414.544	MNKJGQKSRFUXFC-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-130092
S1c2n(CC1)cc(n2)CNC(=O)C[C@@H]1[NH+](CCNC1=O)CCCc1ccccc1	PC-id_42197332	414.544	MNKJGQKSRFUXFC-SFHVURJKSA-O	00000010100010110001000010000000000000000000000000000000	25-01-130093
S1c2n(CC1)cc(n2)CNC(=O)C[C@H]1[NH+](CCNC1=O)CCCc1ccccc1	PC-id_42197334	414.544	MNKJGQKSRFUXFC-GOSISDBHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-130094
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6110430241,EMOLS-id_334391827	414.561	PJWCXYSUVZHDTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130095
c1(NC(=O)CCc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8811541033,EMOLS-id_334386460	414.561	QQDZNNQPOYYADN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130096
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC)sc2c(CCC2)c1C(=O)N	PC-id_2072052,MCULE-2004448348	414.561	JTMGLLREDYRRHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130097
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-5207297223,EMOLS-id_334328026	414.561	SBEHPDCUSHHYIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130098
CCCCCC1C(CC(=O)NCCOC)Cc2c1nc(s2)/N=Nc1ccccc1	SCHEMBL14519940	414.564	XUXULCDCHRZHPQ-QPLCGJKRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130099
N#Cc1c(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)sc2c1CCC2	EMOLS-id_11776327,CoCoCo_4133644,MCULE-2824755920,PC-id_9450191,CoCoCo_4133645,ZINC22_8324512	414.564	ZRYWONOMJQMUJR-UHFFFAOYSA-N	00000010100010000100000010000000000000000000000000000000	25-01-130100
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)C)C(=O)Nc1c(cccc1)C	PC-id_7280677	414.564	CISXNPSOYFONRF-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-130101
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)C)C(=O)Nc1cc(ccc1)C	PC-id_7280785	414.564	QMAXCASFQBNEKH-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-130102
s1c2CC(C(CCCCC)c2nc1/N=N/c1ccccc1)CC(=O)NCCOC	PC-id_71191197	414.564	XUXULCDCHRZHPQ-OCEACIFDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130103
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)C(CCC)CCC	PC-id_44053336	414.564	SASFPQOSQILUTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130104
s1c2c(CCC2)c(c1NC(=S)N1CCC(CC1)Cc1ccccc1)C(=O)OC	PC-id_19654185	414.584	BZIFPZFWEGCPDN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130105
Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n(C2CCCCC2)c1C	CoCoCo_3897560,MCULE-5085070415,ZINC22_8134820,EMOLS-id_11756698,PC-id_16323027	414.587	DNQLAUSBQSIPOT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-130106
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)Cc1sccc1)C#N	PC-id_8801020	414.587	YZSKRFPLJNHSSY-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-130107
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1sc(SCC)nn1)C)C(=O)N	PC-id_8940026	414.589	HYFHYNIHCZGYFE-ZETCQYMHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130108
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1sc(SCC)nn1)C)C(=O)N	PC-id_8940034	414.589	HYFHYNIHCZGYFE-SSDOTTSWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130109
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCCC)nn1)C(=O)N	PC-id_8493034	414.589	IBJUPKQJJLCOMP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130110
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(SCC)nn1)C)C(=O)N	PC-id_84877817	414.589	HYFHYNIHCZGYFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130111
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)CN1CCCCCC1)C#N	PC-id_56359301	414.607	JHPVGQMDRBGEGF-UHFFFAOYSA-N	00000010100010000100000010000000000000000000000000000000	25-01-130112
FC(F)(F)c1ccccc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324913665	414.618	IRSLLAORUALJKE-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-130113
FC(F)(F)c1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324913153	414.618	FUCOKYPAFQYXJO-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-130114
n12c(=O)c(=Cc3ccccc3C(F)(F)F)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5778695880	414.618	IRSLLAORUALJKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130115
n12c(=O)c(=Cc3ccc(cc3)C(F)(F)F)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8307591392	414.618	FUCOKYPAFQYXJO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130116
CC(C)(C)c1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324850921	414.705	NBAOBCYSXSHEQF-YHYXMXQVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130117
CC(C)Cc1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324861157	414.705	BDYACPXCICSKMB-WZUFQYTHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130118
n12c(=O)c(=Cc3cc(cc(Br)c3O)Cl)sc1nc(C(C)(C)C)n2	MCULE-6269396661	414.705	NBAOBCYSXSHEQF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130119
n12nc(nc1sc(=Cc1cc(cc(Br)c1O)Cl)c2=O)CC(C)C	MCULE-8180251297	414.705	BDYACPXCICSKMB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130120
c1(NC(=O)c2cc(Br)ccc2Cl)c2CSCc2nn1C(C)(C)C	CoCoCo_4975381,ZINC22_4079168,PC-id_4439292,EMOLS-id_5430059,MCULE-8296572635	414.748	DHWBRGKYIQOQOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130121
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(F)c(F)c1	PC-id_3521765	414.811	KKRRZADUTFZEQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130122
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1ccccc1Cl	MCULE-2784472829	414.822	GNUOBOXWOIPZAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130123
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1ccccc1Cl	MCULE-4625178426	414.822	MBHISICLRVQHEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130124
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1ccccc1Cl	MCULE-9943283569	414.822	ZFQQHUPHQPPDIN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130125
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1ccc(Cl)cc1	MCULE-2307073289	414.822	JIOMUXNTKLMSGN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130126
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1ccc(Cl)cc1	MCULE-4595795602	414.822	RWFLPBLYAMKCHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130127
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1ccc(Cl)cc1	MCULE-7320693086	414.822	KEWKYCBRLMORFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130128
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1ccccc1	MCULE-8946143480	414.822	BUQIOWNTHCHVRH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130129
[O-][N+](=O)c1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)ccc1Cl	EMOLS-id_324843764	414.822	BUQIOWNTHCHVRH-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130130
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324886027	414.822	MBHISICLRVQHEU-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130131
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324848368	414.822	RWFLPBLYAMKCHM-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130132
[O-][N+](=O)c1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324884995	414.822	GNUOBOXWOIPZAW-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130133
[O-][N+](=O)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324843256	414.822	KEWKYCBRLMORFV-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130134
[O-][N+](=O)c1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324886024	414.822	ZFQQHUPHQPPDIN-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130135
[O-][N+](=O)c1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324844285	414.822	JIOMUXNTKLMSGN-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130136
Clc1ccc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2ccccc2)cc1	PC-id_46872017	414.865	JQEXKEUDZSAQQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130137
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccccc1Cl	MCULE-8731719283,EMOLS-id_2110055,PC-id_2173461,CoCoCo_706967,ZINC22_2811090	414.88	DYNPPSJPJUJUDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130138
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1472947942,CoCoCo_6330758,EMOLS-id_9410509,ZINC22_27664149,PC-id_17013334,TIMTEC66244	414.905	AXVDMXSJZYXSAY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-130139
Clc1ccc(C2(CCC2)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_16520248	414.905	CPAIFUTXIGMCOU-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-130140
Clc1cc(n2c(SCC(=O)Nc3sc4CCCc4c3C#N)ncc2)ccc1	PC-id_29484714	414.932	CSBBXPQSOPPFLO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130141
s1c2c(cc1C(=O)NCc1ccc(OC)cc1)CN(C2)Cc1ccccc1.Cl	CHEMBL1323250	414.948	OKJJYBXSSILZOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130142
Clc1cc(N2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_24588685	414.952	YLYDUMYPMKKOIF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130143
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)c(cc1)C	PC-id_7943096	414.952	YLUSZEIGMWMTPQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130144
C1CSC2=NC(=CN21)CCNC(=O)C3=CC(=C(C=C3)I)O	PC-id_154807916	414.985	FALCHOXLDDMFSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130145
Clc1ccc(N(C(CCSC)C(=O)O)c2c3CCSc3sc2N)cc1	PC-id_77676643	414.993	XIUAGNMTAPSDKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130146
Clc1ccc(N([C@@H](CCSC)C(=O)O)c2c3CCSc3sc2N)cc1	PC-id_69528578,SCHEMBL5676481	414.993	XIUAGNMTAPSDKC-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130147
C1C2=C(CN1C(=O)CC3=C(C=CC(=N3)Br)[N+](=O)[O-])N(N=C2)CC(F)F	PC-id_160744685	415.009	VUKWMFUKTACHTC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-130148
C1C2=CN(N=C2CN1C(=O)CC3=C(C=CC(=N3)Br)[N+](=O)[O-])CC(F)F	PC-id_160744684	415.009	UHBCZXKZCCSNTC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-130149
CC1CC2=NSC(=NC3=CC(=C(C=C3F)Cl)SCC(=O)OC(C)C)N2C1	PC-id_153747847	415.059	WFTKFEDLVSPNNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130150
Brc1c(NC(=O)NCc2n3CCCc3nn2)cc(Br)cc1	PC-id_52198805	415.083	AKXDRMRBGNNBCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130151
Brc1c(NC(=O)NCc2n3CCCc3nn2)ccc(Br)c1	PC-id_52189247	415.083	ZSSOXKORKKGNMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130152
CC1C(=O)C2=C(N1C)N=CN2CC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)C)Cl	PC-id_160263291	415.087	ACQNWYVUBLKWIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130153
C1CN(CCC1C2=CC=CC=C2C(F)(F)F)C(=O)C3=NNC4=C3CS(C4)(O)O	PC-id_154944519	415.118	CXLAUZPZYJGLPX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130154
C1C2=C(CN1C(=O)C3=CC=C(C=C3)C(F)(F)F)NN=C2NC(=O)C4=CC=C(C=C4)N	PC-id_165180386	415.126	HEJBHDWVDYACCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130155
C1CN(CCC1F)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)[O-])C(=O)[O-]	PC-id_153863607	415.13	JXPBSXIXYYKSCA-UHFFFAOYSA-L	00000010100010110001100010000000000000000000000000000000	25-01-130156
Brc1cc(Br)cc(c1)C(=O)NCc1sc2c(c1)CCC2	PC-id_107980347	415.143	HOPWYKSLXBZWHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130157
Brc1ccc(c(c1)Br)C(=O)NCc1sc2c(c1)CCC2	PC-id_107952210	415.143	JVQOXNXERSUEGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130158
Brc1ccc(c(c1)C(=O)NCc1sc2c(c1)CCC2)Br	PC-id_114371853	415.143	LUSINHWZTURYTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130159
CC1=CC=CC=C1[C@@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C(=C(C)C)C=C	PC-id_164871995	415.157	TZDFNAKSHTUURM-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130160
CC(=C(C(=C)C)S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3)C	PC-id_164871981	415.157	QIZKOVYYBINKDX-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130161
CC(=C(C(=C)C)S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@@H](CO)C3=CC=CC=C3)C	PC-id_164872230	415.157	QIZKOVYYBINKDX-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130162
Brc1c(C(NC)c2sc3c(CCC3)c2)cc(Br)c(c1)C	PC-id_81473396	415.186	SZFXDHHSTSEMNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130163
Brc1c(C(NCc2sc3c(CCC3)c2)C)ccc(Br)c1	PC-id_63452710	415.186	DEBLGUBUTDCHHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130164
Brc1c(C(NCC)c2sc3c(CCC3)c2)cc(Br)cc1	PC-id_43489621	415.186	NGQDVFTUXQCTAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130165
CC1CC(C2=NC=NN12)NC(=O)C3=CC(=CC=C3)NCC4=NC(=NN4)C5=CC=NC=C5	PC-id_162365708	415.187	STLXGLCHFDEYCC-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-130166
Ic1c(C(=O)Nc2sc3CCCc3n2)cc([N+](=O)[O-])cc1	PC-id_60764091	415.206	FYYZQLOBIXAALB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130167
Clc1cc(C(C2(n3c(NC2=O)ncc3)C)c2ccc(cc2)C#N)cc(Cl)c1F	PC-id_77277063	415.248	VIBRVEWUNMSOBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130168
Clc1cc(C([C@]2(n3c(NC2=O)ncc3)C)c2ccc(cc2)C#N)cc(Cl)c1F	SCHEMBL2388925,PC-id_67389272	415.248	VIBRVEWUNMSOBU-OTOKDRCRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130169
Clc1cc([C@H](C2(n3c(NC2=O)ncc3)C)c2ccc(cc2)C#N)cc(Cl)c1F	PC-id_67389273,SCHEMBL2388931	415.248	VIBRVEWUNMSOBU-QRIPLOBPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130170
Brc1cncc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109307	415.284	PHEKJKBFKYHOBI-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-130171
Cc1nn(c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)c(C)c1Br	PC-id_45879560,EMOLS-id_44094458,ZINC22_40079951,CoCoCo_4829102,MCULE-2660467297	415.287	AXMMGEPJIAMMSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130172
ClC1(Sc2c([nH]cc2)C1(Cl)C(=O)N)CCc1c(OCC(=O)O)cccc1	PC-id_69853061,SCHEMBL6651123	415.291	NVJYUGRDFVIZSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130173
Brc1cc(C=Nc2sc3CCCc3c2C#N)cc(OC)c1OCC#C	PC-id_50885823	415.304	AFPDCMXDCVOXCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130174
Brc1c(cc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1)C	MCULE-3592087001,PC-id_17467916,CoCoCo_3532717,EMOLS-id_13531468	415.325	RMEZLIHHPNJVLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130175
Clc1cc(CNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1Cl	PC-id_19649422	415.357	STHLCNVFKCGRQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130176
Clc1c(CNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_19649620	415.357	IDJYVDPYBYEPGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130177
CCc1c(nc2n1CC(O2)COc1cc(c(cc1)C(C)(C)C(F)(F)F)F)C(=O)N	PC-id_86342472	415.382	RPSXZRDMGFRCEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130178
CC(C)(c1ccc(cc1)OCC1Cn2c(c(nc2O1)C(=O)N)CCF)C(F)(F)F	PC-id_86342443	415.382	PUIGZNRCLAMPRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130179
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C(F)(F)F)S(=O)(=O)C	SCHEMBL10815141,PC-id_20235091	415.384	GCIYYXVXMPYYEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130180
FC(F)(F)c1ccc(Oc2ccc(CNC(=O)c3n(nc4c3CCC4)C)cc2)cc1	PC-id_15008415	415.408	JZBKKPQHEPHHPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130181
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324881412	415.413	BKTLCSGUAGKKFR-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130182
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324880900	415.413	AJPXKUXRYYVSQE-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130183
CCOc1ccc(OCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1	EMOLS-id_324881929	415.413	VPYMVQIGCPMYPD-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130184
COc1ccc(Cc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1OC	EMOLS-id_324924426	415.413	YEPSBVOOGIGYRG-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130185
COc1ccc(Cc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324923914	415.413	HRADEHSGCHKALP-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130186
COc1ccc(Cc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1OC	EMOLS-id_324924943	415.413	NLINVLYTHDGMFV-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130187
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-6090591714	415.413	YEPSBVOOGIGYRG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130188
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)COc1ccc(cc1)OCC	MCULE-4069544913	415.413	BKTLCSGUAGKKFR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130189
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-8467393408	415.413	HRADEHSGCHKALP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130190
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)COc1ccc(cc1)OCC	MCULE-8216948112	415.413	AJPXKUXRYYVSQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130191
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4055956470	415.413	NLINVLYTHDGMFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130192
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)COc1ccc(cc1)OCC	MCULE-4683202166	415.413	VPYMVQIGCPMYPD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130193
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1occc1C(=O)OC	PC-id_24622343	415.416	ZNDXEBVCLMWXML-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-130194
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1oc(cc1)C(=O)OC	PC-id_42982294	415.416	YRJGTDZHOVONMO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-130195
c1(NC(=O)COc2cc(ccc2N(=O)=O)C(=O)OCC)sc2c(CCC2)c1C#N	MCULE-9503635931,EMOLS-id_327701325	415.42	IMPYIGHSZDAVEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130196
c1(NC(=O)COc2ccc(C(=O)OCC)cc2N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_327716164,MCULE-8347687078	415.42	LRRJASAGBVDVFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130197
CC1(Cn2cc(nc2S1(=O)=O)[N+](=O)[O-])COc1ccc(cc1)Oc1ccccc1	PC-id_137656086	415.42	UNGUIPJLKBKHJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130198
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_6654386,PC-id_8026580,CoCoCo_2963398	415.42	IUVULIKOPVAIRB-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130199
O=C(/C=Cc1cccc(c1)[N+](=O)[O-])OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2963399	415.42	IUVULIKOPVAIRB-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130200
O=C(C=Cc1cccc(c1)[N+](=O)[O-])OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_72094172,MCULE-7440085677,EMOLS-id_300280118	415.42	IUVULIKOPVAIRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130201
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)OC	PC-id_7521455	415.42	LRQFMTJARHBXSY-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130202
s1c2c(CCC2)c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)OC	PC-id_78495704	415.42	LRQFMTJARHBXSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130203
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)NC(=O)OC	PC-id_7521447	415.42	PMZWVJHNRHSAAF-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130204
s1c2c(CCC2)c(c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)NC(=O)OC	PC-id_78495702	415.42	PMZWVJHNRHSAAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130205
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N	PC-id_4270570	415.42	DIUPAFVQZDNBLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130206
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N	PC-id_6054247	415.42	DIUPAFVQZDNBLO-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130207
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c([N+](=O)[O-])cccc1)C(=O)N	PC-id_45691787	415.42	SWBRVGQMRVSFCR-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130208
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c([N+](=O)[O-])cccc1)C(=O)N	PC-id_77672011	415.42	SWBRVGQMRVSFCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130209
c1(NC(=O)COc2cccnc2NC(=O)NCC(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321874551,MCULE-5731186813	415.423	UGHRJGHMGBDVNE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130210
Nc1ccc(cc1)CC1CN(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69635463,SCHEMBL6010920	415.423	PUYYBNUFFKRHND-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-130211
O1C(CN2CCN(N(Cc3ccccc3)C(=O)[O-])CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5542934,PC-id_69481456	415.423	LXJXYEOCFCYDJG-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-130212
s1c2c(CCC2)c(c1Nc1nc(NCc2occc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127478	415.426	BEKBLJFEEBPPJL-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-130213
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2sc(c(C)c2C(=O)OCC)C)n1	EMOLS-id_1359783,MCULE-8771210728,PC-id_1129779,TIMTEC487903,ZINC22_869854,BAS-01939702,CoCoCo_225024	415.43	UTYAEFOWYRRNNE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-130214
Cc1ccc(CCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324905998	415.431	FGTZJWXXCFRMBO-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-130215
Cc1ccc(CCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324906510	415.431	YWXSJYHRJCDPLB-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-130216
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCc1ccc(cc1)C	MCULE-1645408586	415.431	YWXSJYHRJCDPLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130217
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCc1ccc(cc1)C	MCULE-8845332806	415.431	FGTZJWXXCFRMBO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130218
COC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)C(F)F)sc2c1CCC2	MCULE-8666732625,EMOLS-id_257848386	415.432	PJEKWOMZUBPTCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130219
Fc1ccc(cc1)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	STOCK4S-62326,EMOLS-id_206996778,ZINC22_9158616	415.44	HOINFMHQMHJFDO-NCQAQJBZSA-N	00000000101000110001100010000000000000000000000000000000	25-01-130220
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccccc1	MCULE-2035449474	415.44	HOINFMHQMHJFDO-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-130221
c1(NC(=O)Cn2c(=O)ccc(c3ccc(cc3OC)F)n2)n(C)nc2CSCc12	ZINC22_61717967,STOCK7S-12061,MCULE-7652110847,EMOLS-id_35783424,PC-id_52898041	415.441	AEYRRXYCGKGEJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130222
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1ccc(F)cc1)C(=O)OCC	PC-id_7713192	415.441	URBLYODOLDDBJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130223
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1cc(F)ccc1)C(=O)OCC	PC-id_7490961	415.441	ZRMOHPUNUBBLKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130224
S(=O)(=O)(Nc1ccc(C(=O)NCc2n3CCCc3nn2)cc1)c1ccc(F)cc1	PC-id_30094782	415.441	RXRQPZMPKGHJIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130225
S(=O)(=O)(Nc1c(F)cccc1)c1cc(C(=O)NCc2n3CCCc3nn2)ccc1	PC-id_30094913	415.441	ZQZTYUWKXPVHTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130226
O1C(CN2CCCN(CC2)C(=O)OCc2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL14562880,PC-id_23081375	415.443	LVMKXXIUEHAAER-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-130227
O=C(N1Cc2c(C1(C)C)n(nc2NC(=O)c1cccc(c1)[N+](=O)[O-])C)OC(C)(C)C	PC-id_121438558,SCHEMBL17872158	415.443	LKISTXQEGNAREE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130228
O=C(N1Cc2c(C1(C)C)nn(c2NC(=O)c1cccc(c1)[N+](=O)[O-])C)OC(C)(C)C	SCHEMBL17872129,PC-id_121438533	415.443	NDUGXZLJSSSPEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130229
S(c1n(NC(=O)c2nn(c3CCCc23)C)cnn1)CC(=O)Nc1ccc(F)cc1	PC-id_84467194	415.445	JASVNUKENJYTOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130230
c12CCCc1c(C(=O)OCC)c(NC(=O)c1ccc(cc1)SC(F)(F)F)s2	MCULE-6045869455,EMOLS-id_25507810,PC-id_46094928	415.45	GYYHHIYIAVMGDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130231
CCC(C=O)N1Cc2c(S1(=O)=O)sc(c2)C=Cc1ccc(cc1)C(F)(F)F	SCHEMBL13786875,PC-id_89171820	415.45	GGLLNFCDWVMJBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130232
CCC(N1Cc2c(S1=O)sc(c2)/C=C/c1ccc(cc1)C(F)(F)F)C(=O)O	PC-id_143828658	415.45	VQROUPGLFRDQQE-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130233
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)CO)C)F	PC-id_134599081,SCHEMBL20252982	415.458	HNSWVCFVOUBFIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130234
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccccc1OC)C(=O)OC	MCULE-7769925669,PC-id_73560673	415.46	AUKLUULDBXZZJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130235
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)OC)C(=O)OC	PC-id_73550583,MCULE-8921708364	415.46	RQLCEFFRLAOKJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130236
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC	PC-id_24363516	415.46	IZGUMAPAQATFNV-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130237
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(OC)cc1)C(=O)OC	PC-id_74265252	415.46	IZGUMAPAQATFNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130238
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)ccc1)C(=O)OC	PC-id_35686962	415.46	YENXACWJNSZRDI-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130239
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)ccc1)C(=O)OC	PC-id_74643201	415.46	YENXACWJNSZRDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130240
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)cccc1)C(=O)OC	PC-id_35687033	415.46	ZQOLZEMMWLJARG-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130241
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)cccc1)C(=O)OC	PC-id_74643208	415.46	ZQOLZEMMWLJARG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130242
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccccc1)C(=O)OC	PC-id_24380407	415.46	NUCORSSCJPETPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130243
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC	PC-id_19171044	415.46	RQLCEFFRLAOKJE-IZZDOVSWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130244
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1c(OC)cccc1)C(=O)OC	PC-id_19185284	415.46	AUKLUULDBXZZJD-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130245
C1c2c(C[N+]1(NC(=O)Cc1ccccc1F)S(=O)(=O)Cc1ccccc1)[nH]nc2	SCHEMBL2917280,PC-id_87455254	415.461	KKOVSQVYMTZITJ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-130246
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)C(C)C)N(c1ccc(cc1)F)C=O	PC-id_141257349	415.461	GPSJEXLOUQBLFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130247
Fc1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)NCCCC)C(=O)C(C)C)cc1	PC-id_54767649	415.461	HVLYETDKNWCUIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130248
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334634,MCULE-8493730948	415.463	VCASIVMRYCBNOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130249
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5220195411,EMOLS-id_334332324	415.463	GVOVFBAXLDUIDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130250
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_2937110,EMOLS-id_2208030,TIMTEC595397,MCULE-4607201547	415.463	ZJWOKHVPEBZXHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130251
c1(NC(=O)CNC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322624078,MCULE-7489946370	415.463	AEDUTXNDLAQXHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130252
Cc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3145597,ZINC22_6509027,EMOLS-id_3425720,MCULE-3020834877,PC-id_4847620	415.463	KKGCSPRSNAJCRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130253
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCC1CC1	SCHEMBL14056226,PC-id_89237596	415.463	ZDKKIQDNNLFXEQ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-130254
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)N(C(=O)C1CC1)C	PC-id_89236114,SCHEMBL14054312	415.463	JEPLKEQDQUTVCD-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-130255
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C(C)/c1ccccc1O	PC-id_135679395	415.463	YDPYIBSCIWZMFJ-SSDVNMTOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130256
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1ccccc1[N+](=O)[O-]	CoCoCo_919373,ZINC22_2826793,PC-id_2185838	415.463	ZJWOKHVPEBZXHI-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130257
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1ccccc1[N+](=O)[O-]	PC-id_1300384,ZINC22_1124125,CoCoCo_919374	415.463	ZJWOKHVPEBZXHI-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130258
O=C(N[C@H](C(=O)N1C[C@H]([C@H](C1)O)O)Cc1ccccc1)OC1=Nc2c(C1)scc2	PC-id_67550335,SCHEMBL6625402	415.463	MFHXGIPYBWVMIP-HRCADAONSA-N	00000011100000110000000010000000000000000000000000000000	25-01-130259
s1c2CCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1	PC-id_45637916	415.463	XKIGJJOERSUKLV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130260
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(c([nH]c1C)C(=O)OCC)C)C#N	PC-id_16501857	415.463	GKRKMLATKYKABT-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-130261
s1c2CCCc2c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C#N	PC-id_7634361	415.463	KPRAHUAKZYAWRM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-130262
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C)C(=O)N	PC-id_7571884	415.463	YPTFOZKZTXFANV-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-130263
s1c2CCCc2c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1occc1)C(C)C)C#N	PC-id_8575672	415.463	NDKOOFNUTMHDTF-KRWDZBQOSA-N	00000010101000000000000010000000000000000000000000000000	25-01-130264
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(cc1)C)C(=O)N	PC-id_42965178	415.463	DKJWNSGUQWRRPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130265
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccccc1)C)C(=O)N	PC-id_45616026	415.463	YPTFOZKZTXFANV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130266
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(ccc1)C)C(=O)N	PC-id_9363757	415.463	AWRJHWRWWPNRTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130267
s1c2CCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)C(C)C)C#N	PC-id_78727885	415.463	NDKOOFNUTMHDTF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-130268
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)Cc1ccccc1)C(=O)N	PC-id_8523508	415.463	VVTRFLSDZNJXOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130269
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCC)cc1)C(=O)OC	PC-id_19660732	415.463	AZPHSWBOTWXXRH-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130270
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCC)cc1)C(=O)OC	PC-id_73635183	415.463	AZPHSWBOTWXXRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130271
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)ccc1)C(=O)OCC	PC-id_4462476	415.463	NRUFGICQXMLGFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130272
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)ccc1)C(=O)OCC	PC-id_9671886	415.463	NRUFGICQXMLGFR-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130273
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C1C(=O)C=CC=C1)C)C(=O)OCC	PC-id_6844388	415.463	KWXRSJBJCPYRHA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-130274
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC)cccc1)C(=O)OCC	PC-id_4296707	415.463	BUXPLFBKGPGJGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130275
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC)cccc1)C(=O)OCC	PC-id_9656644	415.463	BUXPLFBKGPGJGK-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130276
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OCC)cccc1)C(=O)OC	PC-id_4108218	415.463	SUBWFWCOSWSCBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130277
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OCC)cccc1)C(=O)OC	PC-id_9647427	415.463	SUBWFWCOSWSCBT-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130278
s1c2CC(=Nc2cc1)OC(=O)NC(C(=O)N1CC(O)C(O)C1)Cc1ccccc1	PC-id_77311129	415.463	MFHXGIPYBWVMIP-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-130279
c1(NC(=O)COc2ccc(cc2F)c2nnc(N)s2)sc2c(CCC2)c1C#N	MCULE-3612864700,EMOLS-id_332743223	415.464	WMOGPMXSVUZRSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130280
c1(NC(=O)COc2cccnc2NC(=O)NCCOC)sc2c(CCC2)c1C#N	EMOLS-id_321874553,MCULE-1032915079	415.466	ZQTOQHRHBWAYJK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130281
c1(NC(=O)COc2nonc2CC(=O)N2CCCCC2)sc2CCCc2c1C#N	EMOLS-id_333690920,MCULE-7299541830	415.466	SAGCLBVFPUJDFV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130282
c1(NC(=O)COc2nonc2C(=O)N2CCC(CC2)C)sc2CCCc2c1C#N	MCULE-9983412471,EMOLS-id_333660873	415.466	QWVBTFUVUVMSDH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130283
c1(NC(=O)COc2nonc2C(=O)N2CCCCCC2)sc2CCCc2c1C#N	EMOLS-id_333661386,MCULE-9119810130	415.466	HZMAJDWFZCZMAY-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-130284
c1(NC(=O)COc2nonc2C(=O)N2CCCC(C)C2)sc2CCCc2c1C#N	MCULE-2312789820,EMOLS-id_333660618	415.466	YMTZRISTJNOVHR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130285
Cc1noc(C)c1S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1ccccc1	EMOLS-id_316318008,MCULE-3756241887	415.466	OUSDWHBFDXEJER-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130286
Cc1noc(C)c1S(=O)(=O)N[C@H]1Cc2cc(nn2C1)C(=O)NCc1ccccc1	MCULE-6319863346,EMOLS-id_316333874	415.466	KWMHQZJTRFGDTC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130287
O=C(c1cnn2c1CC(C2)NS(=O)(=O)c1c(C)noc1C)NCc1ccccc1	MCULE-7532081168	415.466	OUSDWHBFDXEJER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130288
O=C(NCCc1nnc2n1CCC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1	MCULE-3075616159,EMOLS-id_36626455,PC-id_53536211,ZINC22_70015029	415.466	ISMVMKRZHMRZCW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130289
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nnc(N2CCCC2)cc1)C(=O)N	PC-id_56423819	415.466	OEBBOLJLRQBELM-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-130290
S1Cc2c(nn(c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCCC)C1	PC-id_44052931	415.466	MDWPMLMXFQXKEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130291
S(=O)(=O)(NC1Cc2n(nc(C(=O)NCc3ccccc3)c2)C1)c1c(C)noc1C	MCULE-7496945708	415.466	KWMHQZJTRFGDTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130292
n12nc(nc1sc(=Cc1c[nH]nc1c1ccccc1)c2=O)COc1ccccc1C	MCULE-1699420125	415.468	ZPAIVOYNRUXKEW-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-130293
n12nc(nc1sc(=Cc1c[nH]nc1c1ccccc1)c2=O)COc1ccc(cc1)C	MCULE-3121407977	415.468	YLYATMFUUCTLAG-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-130294
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)S(=O)(=O)c1cnn(CC)c1	EMOLS-id_207863167,MCULE-6792374448	415.469	CLISLUGDTCGXTM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-130295
c1(NC(=O)c2ccccc2S(=O)(=O)C(F)F)c2CSCc2nn1C(C)(C)C	CoCoCo_5065564,MCULE-8867352202,ZINC22_5077219,PC-id_7484001,EMOLS-id_5686772	415.478	GBLUQUHNXZIGIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130296
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)c2c(SC(F)F)cccc2)C1	PC-id_7484612	415.478	BIZDXLFOJMSXMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130297
COc1cccc(c1)NC(=O)c1c(NC(=O)C[C@@H](CC(=O)[O-])C)sc2c1CCC2	PC-id_27525154,GD-id_ZINC17090650	415.483	IKQCAOMADFKYRZ-LBPRGKRZSA-M	00000010100000110000000010000000000000000000000000000000	25-01-130298
COc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](CC(=O)[O-])C)sc2c1CCC2	PC-id_27525186,GD-id_ZINC17090675	415.483	NJXMNBYWORMEGH-LBPRGKRZSA-M	00000010100000110000000010000000000000000000000000000000	25-01-130299
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_74534168	415.483	GTUFFAQCMFLGQJ-UHFFFAOYSA-M	00000010101010000000000010000000000000000000000000000000	25-01-130300
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)c1sc(cc1)C	PC-id_18195295	415.483	HJEFKGPFUPKJMU-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-130301
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1cc(OC)ccc1	PC-id_74534167	415.483	IKQCAOMADFKYRZ-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-130302
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1c(OC)cccc1	PC-id_74534172	415.483	NJXMNBYWORMEGH-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-130303
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1cc(OC)ccc1	PC-id_27525152	415.483	IKQCAOMADFKYRZ-GFCCVEGCSA-M	00000010100000110000000010000000000000000000000000000000	25-01-130304
s1c2c(CCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1c(OC)cccc1	PC-id_27525184	415.483	NJXMNBYWORMEGH-GFCCVEGCSA-M	00000010100000110000000010000000000000000000000000000000	25-01-130305
s1c2c(CCC2)c(c1NC(=O)COc1ccc(CCC(=O)C)cc1)C(=O)OCC	PC-id_7643215	415.503	NGAOYFVNALAYRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130364
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_27525157	415.483	GTUFFAQCMFLGQJ-UONOGXRCSA-M	00000010101010000000000010000000000000000000000000000000	25-01-130306
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_27525159	415.483	GTUFFAQCMFLGQJ-KBPBESRZSA-M	00000010101010000000000010000000000000000000000000000000	25-01-130307
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_27525161	415.483	GTUFFAQCMFLGQJ-ZIAGYGMSSA-M	00000010101010000000000010000000000000000000000000000000	25-01-130308
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_27525163	415.483	GTUFFAQCMFLGQJ-KGLIPLIRSA-M	00000010101010000000000010000000000000000000000000000000	25-01-130309
CC#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cn[nH]2)CC(=O)O	SCHEMBL16870140,PC-id_118203619	415.484	AGLLWUOWQJPCNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130310
CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cn[nH]2)CC(=O)O	SCHEMBL16861280,PC-id_118196047	415.484	AGLLWUOWQJPCNE-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130311
O=C(N1CC(CCC1)C(=O)c1ccc(Oc2ccccc2)cc1)c1n[nH]c2c1CCC2	PC-id_56854547	415.484	ISRKAPZBLZNJEP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130312
Cc1c(sc(n1)c1ccccc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	PC-id_89238402,SCHEMBL14057138	415.486	HHOLVDOKNMCNCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130313
Cc1nc(cs1)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	SCHEMBL14056790,PC-id_89238100	415.486	NISRMZQFIHFEHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130314
CCOC(=O)c1c(c2c(s1)[S+]=C(C2=NC=Nc1ccccc1)C(=O)OCC)[NH-]	PC-id_136700366	415.486	NLEMRHLURZUHFA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-130315
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)OC(c1ccccc1)CN(C)C	SCHEMBL1206051,PC-id_66941699	415.486	GQYYBIFGRJJNQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130316
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C	SCHEMBL1206048,PC-id_58015647	415.486	GQYYBIFGRJJNQW-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130317
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)Nc1cccc(c1)N	PC-id_121438566,SCHEMBL17872165	415.486	VGNWIFJDLVUAHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130318
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)O[C@@H](c1ccccc1)CN(C)C)N	PC-id_67008599,SCHEMBL1370093	415.486	RHQGJSAEDHNJGX-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130319
COc1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324832508	415.486	LDIGOBUGANGLMY-DHDCSXOGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130320
COCC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccccc1)CN(C)C	SCHEMBL1205079,PC-id_66941336	415.486	SNUNBCANAKTFQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130321
COCC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C	PC-id_58015584,SCHEMBL1205077	415.486	SNUNBCANAKTFQS-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130322
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)Cc1cccs1	MCULE-5916496949	415.486	LDIGOBUGANGLMY-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130323
NS(=O)(=O)c1ccc(c2ccc(/C=N/NC(=O)c3cc4c(s3)CCC4)o2)cc1	ZINC22_8341168	415.486	ACURKBCIQWVOCQ-SRZZPIQSSA-N	00000010101000110000100010000000000000000000000000000000	25-01-130324
O(C(=O)N1C(c2n(nc(N)c2C1)C(=O)OCC)(C)C)C(CN(C)C)c1ccccc1	PC-id_77166191	415.486	RHQGJSAEDHNJGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130325
s1c2CCCc2cc1C(=O)NN=Cc1oc(c2ccc(S(=O)(=O)N)cc2)cc1	PC-id_85015600	415.486	ACURKBCIQWVOCQ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-130326
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sccc1n1cccc1)C(=O)N	PC-id_46697157	415.486	VVOBGVAJKNDTIM-UHFFFAOYSA-N	00000010110100000000100010000000000000000000000000000000	25-01-130327
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccccc1)C(=O)OC	PC-id_4076605	415.486	POSMOQRJEJBNBK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130328
Cn1nc(cc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccccc1	PC-id_92109303	415.488	LONIOTRHUIWULT-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-130329
O=C(c1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1	SCHEMBL1204730,PC-id_66941248	415.488	JYNMKFJXQNEHGV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-130330
O=C(c1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_58015609,SCHEMBL1204731	415.488	JYNMKFJXQNEHGV-PKOBYXMFSA-N	00100010100000110001100010000000000000000000000000000000	25-01-130331
O=C(c1cnn(c1C)c1ccccc1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109302	415.488	LQBCOMKDUZMCJH-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-130332
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)Cn1ccnc1	PC-id_92109281	415.488	BSURNTHUNJKCHO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130333
c1(NC(=O)CSc2nnnn2c2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-6798365078,CoCoCo_3029277,EMOLS-id_2952194,PC-id_1632937,ZINC22_1895864	415.489	AUIWHRUXDDZUJK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130334
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1csc(n1)Nc1ccccn1	PC-id_90509894	415.489	ALHKBNYVHLLEAU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-130335
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1csc(n1)Nc1cnccc1	PC-id_90510338	415.489	QSGSJEOVPQHUCC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-130336
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncoc1C	BindingDB_PC-id_59508350,SCHEMBL598610,PC-id_59508350	415.489	QYRODEIMJCRZEE-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130337
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ocnc1C	SCHEMBL596360,PC-id_59508342,BindingDB_PC-id_59508342	415.489	JVWLWOZXWJQWJR-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130338
O=C(N1C(c2[nH]nc(NC(=O)c3ncoc3C)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72310476	415.489	QYRODEIMJCRZEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130339
O=C(N1C(c2[nH]nc(NC(=O)c3ocnc3C)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72310468	415.489	JVWLWOZXWJQWJR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130340
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1oc(nn1)c1cccnc1)C)C(=O)N	PC-id_8396525	415.489	LWYRKDLPRCNAPM-VIFPVBQESA-N	00000010100000101001100010000000000000000000000000000000	25-01-130341
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1oc(nn1)c1cccnc1)C)C(=O)N	PC-id_8396526	415.489	LWYRKDLPRCNAPM-SECBINFHSA-N	00000010100000101001100010000000000000000000000000000000	25-01-130342
s1c2c(CCC2)c(c1NC(=O)C(Sc1oc(nn1)c1cccnc1)C)C(=O)N	PC-id_78684954	415.489	LWYRKDLPRCNAPM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-130343
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1sc(nn1)C	PC-id_16947934	415.489	MMFFWVHTYBVMDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130344
N#CC1(NC=CC=C1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_140552945	415.491	IJETUNRUBYCHLE-LRUZPBGCSA-N	00100010100011110001100010000000000000000000000000000000	25-01-130345
NC(=O)c1c(NC(=O)CSc2nnc(c3cccnc3)n2N)sc2c1CCC2	ZINC22_13145845,EMOLS-id_48943963,CoCoCo_3631695,MCULE-6106792931,PC-id_4854340	415.493	FHLGNACTJBDMEZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-130346
s1c2CCCc2cc1C(=O)Nc1scc(c1C(=O)OCC)c1ccc(F)cc1	PC-id_2348572	415.501	RRMBOSMTEPLHSJ-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-130347
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)OC	PC-id_2787424,ChEMBL-DNDi_CHEMBLF3096-2749,MCULE-2047243141,STOCK2S-59277,SCHEMBL8290500,EMOLS-id_1089322	415.503	YIDMVVWZYUWTHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130348
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCC)sc2c(CCC2)c1C(=O)OC	PC-id_4226937,MCULE-8406978034	415.503	XZMGAONGJUIPEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130349
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_73569584,MCULE-4076747763	415.503	IMCXKYWNDTWMJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130350
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4567442317,PC-id_1184327	415.503	LIESGHWQOWYZDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130351
c1(NC(=O)C=Cc2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)OC	MCULE-4627592610,PC-id_5046304	415.503	OKAGMIGSXHFXKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130352
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(c(c2)OC)OCC)sc2c1CCC2	CoCoCo_1833228	415.503	LIESGHWQOWYZDC-BENRWUELSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130353
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCC)c(OC)c2)sc2c1CCC2	PC-id_1563189,CoCoCo_1833227,EMOLS-id_27019410,ZINC22_944763,ChemDIV5596-0333	415.503	LIESGHWQOWYZDC-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130354
COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1189217,CoCoCo_1736276,ZINC22_951635	415.503	YIDMVVWZYUWTHP-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130355
COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_951636,CoCoCo_1736275,PC-id_1189218	415.503	YIDMVVWZYUWTHP-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130356
OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CCCCC1)S(=O)(=O)C	SCHEMBL10815051,PC-id_20235083	415.503	XHBSJSVSABCNEX-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-130357
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCC2OCCC2)cc1)C(=O)OCC	PC-id_17222252	415.503	SEKOCTQMYMQZJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130358
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OCC)c(OCC)cc1)C(=O)OC	PC-id_1666818	415.503	OKAGMIGSXHFXKS-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130359
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCC)cc1)C(=O)OC	PC-id_1661000	415.503	XZMGAONGJUIPEO-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130360
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC(C)C)cc1)C(=O)OC	PC-id_19207745	415.503	IMCXKYWNDTWMJW-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130361
s1c2c(CCC2)c(c1NC(=O)CCC(=O)OCCc1ccccc1)C(=O)OCC	PC-id_4946737	415.503	NNBMFPXWAZMQPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130362
s1c2c(CCC2)c(c1NC(=O)CCC(=O)OCCCc1ccccc1)C(=O)OC	PC-id_4934320	415.503	ILXQWNUBSJGKAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130363
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cc(cc1C)C)C)C(=O)OCC	PC-id_4540838	415.503	GCYSWMMLXIOWMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130365
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(C(C)C)cc1)C(=O)OCC	PC-id_4045265	415.503	VEEMIRUFDGWYAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130366
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(c(cc1)C)C)C(=O)OCC	PC-id_7904392	415.503	RAQYQSYIOIAPDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130367
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(CC)c1ccccc1)C(=O)OCC	PC-id_78546681	415.503	WFVMRHTZZXINKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130368
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](CC)c1ccccc1)C(=O)OCC	PC-id_7811009	415.503	WFVMRHTZZXINKO-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130369
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](CC)c1ccccc1)C(=O)OCC	PC-id_7811012	415.503	WFVMRHTZZXINKO-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130370
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(S(=O)(=O)C)n2c1CCC2	CoCoCo_5637272,NSC383345,ZINC22_5664574,PC-id_343564,LI_194354	415.504	KWVSDLFYBYPUFA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-130371
O=C(Nc1sc2c(c1C(=O)N)CCC2)Cc1sc(nc1c1ccc(cc1)F)C	PC-id_16374825,CoCoCo_3218585	415.504	IBFXZKFHIWPTQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130372
s1c2CCCc2cc1C(=O)NNC(=O)c1sc(nc1C)Cc1ccc(F)cc1	PC-id_39907238	415.504	KKTOFZOXRHTEFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130373
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccccc1OC	EMOLS-id_2783536,ZINC22_23402308,TIMTEC314533,MCULE-5318227799,PC-id_5235532,CoCoCo_6728249	415.506	MOMOKKRHZQICEJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130374
c1(c2CCCc2sc1NC(=O)CNCC=C)C(=O)Nc1ccc(cc1OC)OC	ChEMBL-DNDi_CHEMBL1386630,CoCoCo_943271,PC-id_2193852,ZINC22_2837615,CHEMBL1386630,EMOLS-id_2219122,MCULE-4740269223,TIMTEC339239,ChEMBL-DNDi_CHEMBL7570469	415.506	NQDYHDZKSATJKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130375
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8187078471,EMOLS-id_334385948	415.506	ANCZNWNVZHSDFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130376
c1(NC(=O)C2CCN(CC2)C(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_1045609,ZINC22_6725502,EMOLS-id_2545372,PC-id_6466208,MCULE-3467074913	415.506	NZXRUMKQXLTTFN-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130377
c1(NC(=O)C2CC(=O)N(C(C)C)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336426,MCULE-7469096513	415.506	WXFKBBLDVYHKHZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-130378
c1(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-9565011917,EMOLS-id_334335952	415.506	LRCNCRMEEJDNKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130379
c1(NC(=O)CNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386973,MCULE-2631847169	415.506	RTGBTOFNWXOHDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130380
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCCO)sc2CCCc2c1C#N	MCULE-5574384780,EMOLS-id_331630532	415.506	DRUDDIVNVASOAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130381
c1(NC(=O)COc2cn(c(cc2=O)C)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331629762,MCULE-9654682954	415.506	XKBKSYSATHYMMW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130382
c1(sc2c(CCC2)n1)NC(=O)C1CC(=O)N(CCc2ccc(c(OC)c2)OC)C1	EMOLS-id_323374492,MCULE-5993776778	415.506	RSPZBTIMSCUCON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130383
CCOc1ccc(cc1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109611	415.506	FUQCNTPUTRUTMV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130384
CCOc1ccccc1S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109622	415.506	CMXDVLHIMMGQCR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130385
Cn1nc(c2c1CCC2)CN(S(=O)(=O)CCOc1ccccc1)Cc1ccco1	PC-id_92109650	415.506	MAPZFWWOYOZAJF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130386
COc1ccc(cc1C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109603	415.506	PLCWLGARGFBVKN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130387
COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3O)CC2)sc2c1CCC2	EMOLS-id_3062066,ZINC22_35477399,PC-id_3536561,CoCoCo_3371955,CoCoCo_3371954,MCULE-9831403930	415.506	OQVAXAWVOKTIGZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130388
O=C1NCCN(C1)Cc1sc2c(c1)CN(C2)C(=O)c1cc(C(C)C)c(cc1O)O	PC-id_141750764	415.506	POQQFCZCFKSAQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130389
O=C(NCCc1nc2c(s1)CCC2)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1	ZINC22_1644306068	415.506	OBPDDGBVHMFVSG-WBVHZDCISA-N	00000010100000110001000010000000000000000000000000000000	25-01-130390
s1c2CCCc2cc1C(=O)NN=Cc1cc(OCC)c(OCC(=O)N(C)C)cc1	PC-id_85015443	415.506	PUIQUTLPFOZYIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130391
s1c2CCCc2cc1C(=O)OCC(=O)NNC(=O)c1ccc(N(CC)CC)cc1	PC-id_7432148	415.506	ZJMUQZOINDDOJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130392
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(n(C2CC2)c(c1)C)C)C)C(=O)N	PC-id_9062798	415.506	RUCFMDQGJFYMCT-LBPRGKRZSA-N	00100010110000000000100010000000000000000000000000000000	25-01-130393
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(n(C2CC2)c(c1)C)C)C)C(=O)N	PC-id_9062799	415.506	RUCFMDQGJFYMCT-GFCCVEGCSA-N	00100010110000000000100010000000000000000000000000000000	25-01-130394
s1c2c(CCC2)c(c1NC(=O)CNc1c(ccc(NC(=O)C)c1)C)C(=O)OCC	PC-id_55894099	415.506	FHCMMZLAMSWEMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130395
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N(CC)CC)cc1)C(=O)N	PC-id_7665406	415.506	QHDMCHBFHXPSDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130396
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(n(C2CC2)c(c1)C)C)C)C(=O)N	PC-id_84919454	415.506	RUCFMDQGJFYMCT-UHFFFAOYSA-N	00100010110000000000100010000000000000000000000000000000	25-01-130397
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NCCCC)cccc1)C(=O)N	PC-id_7999434	415.506	BWNUEPUKSXEPNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130398
s1c2CCC(C(=O)N3CCCCC3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16947973	415.506	YILBDYCTDGDVGD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130399
s1c2CCC(C(=O)NC3CCCC3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16948000	415.506	BKENUZCYKKUXBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130400
c1(NC(=O)c2cccc(c2)C#N)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334334370,MCULE-4837172132	415.507	MAIJARXMKRJMBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130401
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)F)N1CCOCC1	PC-id_111020375	415.508	NEHWIPJICVPFNV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130402
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ccc1F	PC-id_25155475,SCHEMBL3325739	415.508	OYUJPXZQJGESDC-KGLIPLIRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-130403
c1(NC(=O)CN2CCN(CC2)c2ncccn2)sc2c(CCC2)c1C(=O)OCC	TIMTEC333881,CoCoCo_1054154,CoCoCo_1054155,PC-id_6470712,ZINC22_35804718,MCULE-6684360964,EMOLS-id_2549235	415.509	NKAKBPGABGGQRC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-130404
c1(NC(=O)CNC(=O)N2CCN(CC2)c2ccc(cc2)OC)sc2c(CCC2)n1	STOCK7S-30277,EMOLS-id_46566909,EMOLS-id_43042147,PC-id_60180104,ZINC22_72406206,MCULE-4872066414	415.509	ADSVWDQFCIHTBZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130405
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CCCN(C1)c1ccc(nn1)C	PC-id_121118718	415.509	JKEAUMSUDFKQGN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-130406
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CCN(CC1)c1ccc(nn1)C	PC-id_121119084	415.509	UDQIQIJAKYBNMN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-130407
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1n(nnn1)C1CC1	PC-id_55553116	415.509	ASHNJBQWFOUNIC-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-130408
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)Nc1nc(ccc1)C)C)C)C(=O)N	PC-id_56414221	415.509	GYWZHXAYZMLNQX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130409
s1c2CCCc2c(c1NC(=O)COC(=O)c1nc(sc1)c1ccsc1)C#N	PC-id_24522748	415.509	SGARQONVHMWHJP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-130410
Clc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1Cl	EMOLS-id_324914690	415.51	BXIXKULENFPJBU-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130411
Clc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c(Cl)c1	EMOLS-id_324912130	415.51	PIZPNJDKLNFTPZ-BAQGIRSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130412
Clc1cccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)c1Cl	EMOLS-id_324913667	415.51	OUOGSFMPCFXMCU-DAXSKMNVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130413
n12c(=O)c(=Cc3ccc(cc3Cl)Cl)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-4610672536	415.51	PIZPNJDKLNFTPZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130414
n12c(=O)c(=Cc3cccc(Cl)c3Cl)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-6041089890	415.51	OUOGSFMPCFXMCU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130415
n12c(=O)c(=Cc3ccc(c(Cl)c3)Cl)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7800601589	415.51	BXIXKULENFPJBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130416
c1(NC(=O)CSc2nnc(c(=O)[nH]2)c2cccs2)sc2c(CCC2)c1C#N	EMOLS-id_322525296,MCULE-5268225652	415.512	PSAHFWVRLCOPFE-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-130417
s1c2CCCc2cc1C(=O)OCC(=O)N(C1CCCCC1)Cc1ccc(F)cc1	PC-id_7569152	415.521	MUADFXKYQFTRSH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130418
s1c(c2C(NC(=O)CN3CCN(CC3)Cc3c(F)cccc3)CC(=O)c2c1C)C	PC-id_11553452	415.524	SDKDJHHRWJQVGG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130419
c1(NC(=O)C2=C(SCCO2)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	TIMTEC292959,PC-id_42536199,STOCK6S-58386,MCULE-1148485468,EMOLS-id_17653682,CoCoCo_6644945,ZINC22_12323401	415.526	LQLBFESQFDRRHV-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-130420
CCOc1ccc(c2nc(COC(=O)c3cc4c(s3)CCC4)cs2)cc1OC	MCULE-8268097908,EMOLS-id_3308519,ZINC22_3419887,CoCoCo_2840908,PC-id_2539085	415.526	DXDREPSQRHWOFE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130421
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)C1C(CC=CC1)C(=O)[O-]	PC-id_74534183	415.526	CDAQZPATSIGLSB-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-130422
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-]	PC-id_27525259	415.526	CDAQZPATSIGLSB-LSDHHAIUSA-M	00000010100011000000000010000000000000000000000000000000	25-01-130423
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-]	PC-id_27525261	415.526	CDAQZPATSIGLSB-GJZGRUSLSA-M	00000010100011000000000010000000000000000000000000000000	25-01-130424
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-]	PC-id_27525263	415.526	CDAQZPATSIGLSB-HUUCEWRRSA-M	00000010100011000000000010000000000000000000000000000000	25-01-130425
s1c2c(CCC2)c(C(=O)NC2CCCCC2)c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-]	PC-id_27525265	415.526	CDAQZPATSIGLSB-CABCVRRESA-M	00000010100011000000000010000000000000000000000000000000	25-01-130426
c1(NC(=O)CSc2scc(c3ccc(cc3)F)n2)sc2c(CCC2)c1C#N	EMOLS-id_324923664,MCULE-3050510560	415.527	WUUPUASGPSUARG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130427
COc1ccccc1N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328336799,MCULE-3649394023	415.527	XXQVHQIXUVTKLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130428
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9523161210,EMOLS-id_328337562	415.527	RZTSZIMHKLYHDF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130429
O=C(c1ccccc1Oc1ccccc1)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109711	415.527	VKCIRQQBAALPDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130430
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)Oc1ccccc1	PC-id_92109860	415.527	GNCMTVOPGJTTOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130431
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_22200235	415.527	FQDQWEOBIPKPOD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130432
c1(C(=O)NCC2CN(CC3CCN(CC3)CC3CC3)C(=O)CO2)c2CCCc2[nH]n1	PC-id_118786685,EMOLS-id_68923448,MCULE-2894087229	415.529	BTXSFNFMPKZBBR-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-130433
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)sc2c(CCC2)c1C#N	PC-id_4046458,EMOLS-id_5419242,CoCoCo_4966731,MCULE-1161736631,ZINC22_1514814	415.529	KXTLVTOMFUAXAN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130434
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2)sc2c(CCC2)c1C#N	PC-id_26116460,MCULE-9895622465,EMOLS-id_13333873,ZINC22_14500188,CoCoCo_1081749	415.529	ZNBYPKOHSVUWJF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130435
c1(NC(=O)CSc2nc(C)cc(C)c2C#N)sc2c(CCC2)c1C(=O)OCC	CoCoCo_5026844,ZINC22_663276,MCULE-2185893523,SPECS-id_AM-807/14147254,PC-id_1005126,STOCK3S-06868,EMOLS-id_3750028	415.529	VFTVXOHXGHVPKG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130436
c1(NC(=O)CSCC(=O)Nc2ccccc2OCC)sc2c(CCC2)c1C#N	MCULE-8921551331,EMOLS-id_181302576,PC-id_84404382	415.529	IVAQMKLNTQBGNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130437
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccccc2C)sc2c(CCC2)c1C#N	MCULE-5352683605,EMOLS-id_320679784	415.529	NDEANCYQBLVTEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130438
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(C)cc2)sc2c(CCC2)c1C#N	EMOLS-id_320679528,MCULE-3729477680	415.529	MUQCSTXYIJUAOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130439
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2CC)sc2c(CCC2)c1C#N	EMOLS-id_320639736,MCULE-4413978873	415.529	SLUPDIOOLNYJAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130440
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)CC)sc2c(CCC2)c1C#N	EMOLS-id_320677224,MCULE-2766187556	415.529	CCOGUNWDDQCBPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130441
c1(NC(=O)CS(=O)CC(=O)Nc2cc(ccc2C)C)sc2c(CCC2)c1C#N	MCULE-8787314253,EMOLS-id_320641273	415.529	WPTRSYKQXQLXQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130442
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(C)cc2C)sc2c(CCC2)c1C#N	EMOLS-id_320641783,MCULE-8550504310	415.529	ZIKUIXDUNXFVES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130443
c1(NC(=O)CS(=O)CC(=O)Nc2cc(cc(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_320642553,MCULE-1271469393	415.529	JLWMUSKYKGDFOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130444
c1(NC(=O)CS(=O)CC(=O)Nc2c(C)cccc2C)sc2c(CCC2)c1C#N	EMOLS-id_320678248,MCULE-6141182748	415.529	GWFDOLMSCMIHBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130445
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_320679272,MCULE-4490204681	415.529	PVAJNCGYAQUGDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130446
c1(NC(=O)CS(=O)CC(=O)Nc2cccc(C)c2C)sc2c(CCC2)c1C#N	MCULE-3474652712,EMOLS-id_320677480	415.529	KFNNYBDVULIFHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130447
c1(NC(=O)CS(=O)CC(=O)NC(C)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320639998,MCULE-3263085059	415.529	FAKITRPBDZVXQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130448
c1(NC(=O)CS(=O)CC(=O)N(C)Cc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320640254,MCULE-7182974953	415.529	MDPKSFSZCALWFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130449
c1(NC(=O)CS(=O)CC(=O)N(CC)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320675945,MCULE-3606157599	415.529	PCFPNYPUTHXBJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130450
c1(NC(=O)CS(=O)CC(=O)NCCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-5182010139,EMOLS-id_320676969	415.529	AJMZZIVPXFDAOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130451
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH+]1CCN(CC1)c1ccccc1O	PC-id_9432768,GD-id_ZINC08309187	415.529	SQVUOPJODVOWDZ-CYBMUJFWSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130452
CSc1ccc(cc1)N1CC(CC1=O)C(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_24088501,PC-id_42944254,MCULE-9435729555	415.529	HOCAYCNCONEIHK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-130453
CSc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4682412,PC-id_25649887	415.529	HOCAYCNCONEIHK-CYBMUJFWSA-N	00000010100000110000100010000000000000000000000000000000	25-01-130454
CSc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_25649886,CoCoCo_4682413	415.529	HOCAYCNCONEIHK-ZDUSSCGKSA-N	00000010100000110000100010000000000000000000000000000000	25-01-130455
N#Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)sc2c1CCC2	EMOLS-id_1279776,CoCoCo_137501,MCULE-8376852956,PC-id_1107145,ZINC22_837479	415.529	XTMIDXRHKAIOFG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130456
NC(=O)c1c(NC(=O)CN(Cc2ccco2)Cc2cccs2)sc2c1CCC2	EMOLS-id_43929092,PC-id_8677998,ZINC22_7580622,CoCoCo_3951176,MCULE-5695629902,CoCoCo_3951175	415.529	BVCNTUDWSLPLAY-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-130457
O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1n[nH]c2c1CCC2	ZINC22_299790860	415.529	BTXSFNFMPKZBBR-KRWDZBQOSA-N	00100010100010000001000010000000000000000000000000000000	25-01-130458
O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1n[nH]c2c1CCC2	ZINC22_299790880	415.529	BTXSFNFMPKZBBR-QGZVFWFLSA-N	00100010100010000001000010000000000000000000000000000000	25-01-130459
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ccc(O)cc1)C)C(=O)N	PC-id_9276872	415.529	ISWYVLVOSFVVPS-ZDUSSCGKSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130460
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ccc(O)cc1)C)C(=O)N	PC-id_9276875	415.529	ISWYVLVOSFVVPS-CYBMUJFWSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130461
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1c(O)cccc1)C)C(=O)N	PC-id_9432765	415.529	SQVUOPJODVOWDZ-ZDUSSCGKSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130462
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ccc(O)cc1)C)C(=O)N	PC-id_84969213	415.529	ISWYVLVOSFVVPS-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130463
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc(OC)cc1)C(=O)N	PC-id_8587787	415.529	BFXROYMPFACEJG-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130464
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1cc(OC)ccc1)C(=O)N	PC-id_8592610	415.529	JCDCDHACULGDNU-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130465
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1c(O)cccc1)C)C(=O)N	PC-id_85008634	415.529	SQVUOPJODVOWDZ-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130466
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(OC)cccc1)C(=O)N	PC-id_8687801	415.529	KUAIXFHAPLPFPM-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130467
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1c(cccc1C)C)C)C(=O)N	PC-id_25621414	415.529	NLYWXLODSDHSJK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130468
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1c(c(ccc1)C)C)C)C(=O)N	PC-id_9288149	415.529	FOCMTTLUSCNCKX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130469
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1c(CC)cccc1)C)C(=O)N	PC-id_9304294	415.529	ZCYXSADYVQJOKU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130470
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCOCC)cc1)C#N	PC-id_17113016	415.529	JXSHQYXEBGJWKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130471
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OCCOCC)ccc1)C#N	PC-id_17139966	415.529	FSQSYWAJQTWZNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130472
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(cc1)C	PC-id_16827342	415.529	QSYLDTYCDSCRRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130473
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1ccccc1	PC-id_16861553	415.529	QZTGEZZJQFFNCE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130474
n12nc(nc1sc(=Cc1ccsc1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-2440639848	415.531	PNRVJEMDZGFKBH-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130475
O=c1n2nc(CC(c3ccccc3)c3ccccc3)nc2s/c/1=Cc1ccsc1	EMOLS-id_324829945	415.531	PNRVJEMDZGFKBH-MOSHPQCFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130476
s1c2CCCc2nc1NC(=O)CCn1c(n[nH]c1=S)c1ccc(OCC)cc1	PC-id_33040221	415.532	IFBIKYOZUHPEMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130477
c1(NC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-8257722334,PC-id_4933570	415.546	MRWZLLDXGYZYAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130478
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	ZINC22_1773509,EMOLS-id_1865858,MCULE-8351779097,PC-id_1565010,CoCoCo_1784107	415.546	PQMMMTAXAHQUGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130479
c1(NC(=O)CCCOc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-1729082078,PC-id_19207335	415.546	UUQUGGCWUDSJTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130480
c1(NC(=O)CCCOc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)OCC	PC-id_1677655,MCULE-8634813394	415.546	IDVANSYSCVOTDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130481
c1(NC(=O)CCCOc2ccc(c(C)c2)C(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_2072305,MCULE-9633934958	415.546	YIGQSUMBBPPVJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130482
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_3427874,MCULE-4158400289	415.546	QYXQDPXIVTXCQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130483
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)c1C(=O)OCC	BAS-00842620,CoCoCo_139727,EMOLS-id_1281560,ZINC22_1781103,ChEMBL-DNDi_CHEMBL2159-4035,MCULE-6019558993,PC-id_1571351	415.546	VCSGGLUBSIHSDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130484
c1(NC(=O)COc2cc(C)ccc2C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_1666292,MCULE-3424089425	415.546	MSDZIZWJUHTHTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130485
CCOC(=O)C1(NC(=O)c2cccc(c2OC(C)C)C)Cc2c(C1)c(sc2C)C	SCHEMBL3308364,PC-id_59314177	415.546	SWVHVPZPCJWIBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130486
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCCCCCC)cc1)C(=O)OC	PC-id_4950622	415.546	VJAYHIUIQQYFJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130487
s1c2c(CCC2)c(c1NC(=O)c1c(OCCCCCC)cccc1)C(=O)OCC	PC-id_4942009	415.546	FWSWTRPMPOYXCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130488
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_1641697	415.546	QYXQDPXIVTXCQK-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130489
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_1641698	415.546	QYXQDPXIVTXCQK-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130490
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(C(CC)C)cccc1)CC)C(=O)OC	PC-id_17150610	415.546	BFPNHLJCGAHWEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130491
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(C(CC)C)cccc1)C)C(=O)OCC	PC-id_17129860	415.546	NWTDXMNHVOLZDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130492
s1c2c(CCC2)c(c1NC(=O)COc1ccc(C(CC)(C)C)cc1)C(=O)OCC	PC-id_17093214	415.546	NFJVUORJCWRSIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130493
c1(c2CCCc2sc1NC(=O)CNCC(C)C)C(=O)Nc1ccc(cc1)OCC	ZINC22_4553406,PC-id_3634046,TIMTEC322379,CoCoCo_6728240,EMOLS-id_2783522,MCULE-7564319733	415.549	MXGCHFFZMQZXQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130494
CN1CCN(CC1)Cc1sc2c(c1)CN(C2)C(=O)c1cc(C(C)C)c(cc1O)O	PC-id_141750769	415.549	MYENUFNZIOEYOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130495
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)CCS(=O)(=O)c1ccccc1	PC-id_92109861	415.549	XRVULFYAHZIKDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130496
s1c2c(CCC2)c(c1NC(=O)c1cc(CNCCN(CC)CC)ccc1)C(=O)O	PC-id_23107900	415.549	LKYVMFQLHCFXJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130497
s1c2c(CCC2)c(c1NC(=O)[C@H](N(CCOc1cc(cc(c1)C)C)C)C)C(=O)N	PC-id_26430370	415.549	HKOYRSZQXQRFKP-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130498
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(CCOc1cc(cc(c1)C)C)C)C)C(=O)N	PC-id_26430372	415.549	HKOYRSZQXQRFKP-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130499
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(N(C)C)cc1)C)C(=O)OCC	PC-id_8457063	415.549	RZSCXZZTXIDSKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130500
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1cc(c(OC)c(c1)C)C)C)C)C(=O)N	PC-id_56381963	415.549	QLIXONVWUWIFJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130501
s1c2c(CCC2)c(c1NC(=O)C(N(CCOc1cc(cc(c1)C)C)C)C)C(=O)N	PC-id_24507735	415.549	HKOYRSZQXQRFKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130502
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(OCC)c(OCC)cc1	PC-id_44060368	415.549	HCWVRJTVLKJSAI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130503
C(=O)(Nc1sc2CCCc2c1C#N)CCN(Cc1ccccc1)Cc1ccccc1	EMOLS-id_327952379,MCULE-7962519229	415.55	OSLMNNIFZFBKDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130504
S(=O)(=O)(NC1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_74771202	415.551	HTPICJXYSQXIQS-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-130505
S(=O)(=O)(NC1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_41819812	415.551	HTPICJXYSQXIQS-JTQLQIEISA-O	00000010100010000000000010000000000000000000000000000000	25-01-130506
S(=O)(=O)(NC1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_41819814	415.551	HTPICJXYSQXIQS-SNVBAGLBSA-O	00000010100010000000000010000000000000000000000000000000	25-01-130507
CC1(CCC2(C(C1)N2)C(=C1C=c2c(=N1)cc(s2)NC(=O)CN1CCOCC1)N)C	PC-id_90077493	415.552	MFLKJADRHNSWJU-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-130508
CC1(CCC(=C(C1)N)C(=C1C=c2c(=N1)cc(s2)NC(=O)CN1CCOCC1)N)C	PC-id_90077473	415.552	GBULLSMOAKVTRA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-130509
CCCCCC1C(CC(=O)NCCC)Cc2c1nc(s2)NC(=O)c1nccnc1	PC-id_143481552	415.552	QJZFGZUBZMOLOB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-130510
CC(NC(=O)c1nn(c2c1SC(N2C)NC(=O)c1ccc(cc1)C)C(C)(C)C)C	PC-id_143117786	415.552	HWAQBIUTWALXLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130511
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)N1CCCC1)C#N	PC-id_24589275	415.552	XXVIWCAVLUNVEE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130512
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1c(SC)cccc1)C)C#N	PC-id_8110815	415.552	AWTGBCWEOFKJMH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130513
s1c2c(CCC2)c(c1NC(=O)CSc1scc(n1)c1ccccc1)C(=O)N	PC-id_8292158	415.552	GMQCYEOBWXVVAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130514
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1cccs1	CoCoCo_2799999,EMOLS-id_11746479,ZINC22_8133176,PC-id_9268133,MCULE-7625310876	415.555	IDYDCUBTISCNAE-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-130515
Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_7742461,ZINC22_5579479,EMOLS-id_11748889,MCULE-4009981443,CoCoCo_2869648	415.555	ZOWBOPQYQYYWGM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-130516
CC(C)S(=O)(=O)N1CCN(CC1)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956511	415.571	QHAXQYDQEFPIPP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130517
CCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956512	415.571	ZITAJTBAMYJUJO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130518
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)Cc1ccccc1	EMOLS-id_30081124,MCULE-3923142548,SPECS-id_AO-476/43417035,ZINC22_13828077,CoCoCo_6964801,PC-id_19654219	415.572	SHJSKQQIRVGFSE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130519
CCOC(=O)c1c(NC(=S)N2CCN(c3ccccc3)CC2)sc2c1CCC2	CHEMBL4468289	415.572	XHBJFPOYQSWOLD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130520
CCCCCCCCCCC(CCCCCCCC)CN1C=C2C(=C1O)C=NC2=O	PC-id_153940707	416.34	ZLRISZRRMGXAQK-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-130640
s1c2c(CCC2)c(c1NC(=O)CCN(CC1OCCC1)Cc1sccc1)C#N	PC-id_55482754	415.572	HTOKXJYWSHPUJW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-130521
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)N1CCCCCC1)C#N	PC-id_9450190	415.572	ZRYWONOMJQMUJR-UHFFFAOYSA-O	00000010100010000100000010000000000000000000000000000000	25-01-130522
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCC)nn1)C(=O)OC	PC-id_29936485	415.574	XCDBHXZATDDXTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130523
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SC)nn1)C(=O)OCC	PC-id_7820321	415.574	DMPVXUZMBGOPHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130524
CNCC(COc1c(C)cc(cc1C)CCC(=O)c1sc(c2c1C[C@H](C2)C)C)O	PC-id_143295737	415.589	HYWYRDJVHUKIMD-KTQQKIMGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130525
CCNC(=NCc1nnc2n1CCC2)NCC(c1cccs1)N1CCC(CC1)C	PC-id_111020389	415.599	WLVWKGBRGWJXNI-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-130526
c1(NC(=O)CCCOc2ccc(cc2Br)Cl)sc2c(CCC2)n1	MCULE-3519011073,EMOLS-id_334661847	415.732	KXXOWIQKYCCCII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130527
c1(NC(=O)CCCOc2ccc(cc2Cl)Br)sc2c(CCC2)n1	EMOLS-id_334660055,MCULE-3581010312	415.732	QIIGUZUUVYMGDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130528
COc1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)ccc1O	EMOLS-id_324883972	415.85	RHHGMSVGBMKQNF-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130529
COc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)ccc1O	EMOLS-id_324842233	415.85	ORQGAMURBQNZKS-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130530
COc1ccccc1OCc1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324872196	415.85	AONIGWCSZNSKMX-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130531
COc1cccc(OCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)c1	EMOLS-id_324874247	415.85	DOBIAYRWXSVJRA-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130532
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1ccccc1OC	MCULE-8554223548	415.85	AONIGWCSZNSKMX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130533
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1cccc(OC)c1	MCULE-5863751902	415.85	DOBIAYRWXSVJRA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130534
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1ccccc1Cl	MCULE-7244332922	415.85	RHHGMSVGBMKQNF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130535
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-5822965996	415.85	ORQGAMURBQNZKS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130536
O=C(c1cc2c(s1)CCC2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	PC-id_9462229,ZINC22_20937726,CoCoCo_3353341,MCULE-2312250578,EMOLS-id_11721383	415.86	ZDUALDRKEGIHGF-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-130537
Cc1cccc(C)c1OCc1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324872712	415.868	SRFWPCZQSAMXMR-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130538
Cc1ccc(C)c(OCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)c1	EMOLS-id_324880909	415.868	MHYLFIOWDCYMKB-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130539
Cc1cccc(OCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)c1C	EMOLS-id_324874763	415.868	BIRXYVNWHXPPSY-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130540
CCc1cccc(OCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)c1	EMOLS-id_324888073	415.868	XZVJYMSZXPGGKD-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130541
CCc1ccc(OCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324887040	415.868	VLRUJVKXLZHEGB-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130542
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(F)cc2)cc1	PC-id_16947405	415.868	DKOVBWHAOJCMIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130543
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(F)ccc2)cc1	PC-id_16947404	415.868	SOWYRNRVRIJLKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130544
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(F)cccc2)cc1	PC-id_16947403	415.868	DVTPYSSBRRFWBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130545
Clc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)cc1	PC-id_16947248	415.868	AUHDOCYKHBPBOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130546
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)ccc1F	PC-id_16947108	415.868	MWWBIWHYQDWXFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130547
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)ccc1	PC-id_16947247	415.868	TZOJQQXWKWEBKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130548
Fc1cccc(Cl)c1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324853494	415.868	JSJCOIXRGICTEP-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-130549
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CCCOc1ccccc1	MCULE-4927300020	415.868	JSJCOIXRGICTEP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130550
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1ccc(cc1)CC	MCULE-5186821947	415.868	VLRUJVKXLZHEGB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130551
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1c(C)cccc1C	MCULE-8957412663	415.868	SRFWPCZQSAMXMR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130552
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1cccc(CC)c1	MCULE-1725521404	415.868	XZVJYMSZXPGGKD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130553
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)COc1cc(C)ccc1C	MCULE-3088480907	415.868	MHYLFIOWDCYMKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130554
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)COc1cccc(C)c1C	MCULE-8439587172	415.868	BIRXYVNWHXPPSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130555
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)C)n2)sc2c(CCC2)c1C(=O)OC	MCULE-8522639391,ZINC22_9431675,CoCoCo_2209678,EMOLS-id_2636618,PC-id_16436471,TIMTEC147758	415.872	FKNGAAGIVAXSCU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-130556
Clc1c(c([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)c1)C	EMOLS-id_16731156,PC-id_25607333,MCULE-6816317347,CoCoCo_3948766	415.872	AHKZLJDQRCEEJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130557
c1(C(=O)NCCNC(=O)C2CC(=O)N(c3ccc(cc3)Cl)C2)c2CCCc2[nH]n1	EMOLS-id_323259066,MCULE-7757338550	415.873	HREKLXMKFLSSOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130558
c1(NC(=O)c2ccc(cc2)Cn2cc(cn2)Cl)sc2c(CCC2)c1C(=O)OC	TIMTEC574420,MCULE-6047171377,CoCoCo_937188,PC-id_1226317,ChEMBL-DNDi_CHEMBL7498166,EMOLS-id_1998635,ZINC22_1003216	415.893	YMKZPDMXGXATIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130559
c1(NC(=O)C2CC(=O)N(c3c(OC)ccc(Cl)c3)C2)sc2c(CCC2)c1C#N	EMOLS-id_322628672,MCULE-3590888782	415.893	LMFXMFYEIMWGKG-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-130560
c1(NC(=O)Nc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_35538082,ZINC22_28247649,EMOLS-id_15298486,MCULE-7042491322,CoCoCo_6458336	415.893	XOXCOMLRVRDZBS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-130561
Clc1ccc(c2nn(c(NC(=O)COC(=O)c3sc4CCCc4c3)c2)C)cc1	PC-id_7623536	415.893	RKKQCLUHONKGFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130562
Clc1ccc(c2oc(nc2)CCC(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_41372734	415.893	CKRVTLBIEQZULE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130563
O=C(Nc1sc2c(c1C(=O)c1ccc(cc1)Cl)CCC2)CCc1onc(n1)C	PC-id_112820421	415.893	IFCDIQROLJDUSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130564
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1nc(cs1)c1cc(c(cc1)Cl)C	SCHEMBL10128985,PC-id_88569821	415.897	IXVHNHKKUNQHMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130565
CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)sc2c1CCC2	ZINC22_408617726	415.912	IWLJRVBUBXHZMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130566
CC1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)C)Cl)C)C(=O)C(=O)NC(C)C	SCHEMBL20252885,PC-id_134598985	415.913	ZQVKYECHDVYVMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130567
C[C@@H]1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)C)Cl)C)C(=O)C(=O)NC(C)C	PC-id_134598983,SCHEMBL20252883	415.913	ZQVKYECHDVYVMW-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130568
C[C@H]1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)C)Cl)C)C(=O)C(=O)NC(C)C	SCHEMBL20252886,PC-id_134598986	415.913	ZQVKYECHDVYVMW-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130569
Clc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)C2CCN(CC2)C)(C)C)cc1	PC-id_46228563,BindingDB_PC-id_46228563,CHEMBL598221	415.916	DZFYFXAPZWMNAS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130570
Clc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(CC2)C)(C)C)cc1	PC-id_10024902	415.916	RXEGAPHJYGJLLV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130571
CSc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324882439	415.916	NDCAMKOLOKSXPV-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130572
CSc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324844795	415.916	WPWKMULAONAJRI-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130573
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)COc1ccccc1Cl	MCULE-8575247642	415.916	NDCAMKOLOKSXPV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130574
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)COc1ccc(Cl)cc1	MCULE-9404461022	415.916	WPWKMULAONAJRI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130575
CCNC(=NCc1nnc2n1CCC2)N1CCN(C(=O)C1)Cc1ccc(cc1)Cl	PC-id_109500647	415.92	ASBFVBPBWYFGLE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130576
Clc1ccc(cc1)OC(C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)(C)C	PC-id_92109797	415.956	BETFXOIZPWZLRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130577
Clc1cc(N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)c(cc1)C	PC-id_7943095	415.959	YLUSZEIGMWMTPQ-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130578
CN=C(NCc1nnc2n1CCC2)NCC1CCCN(C1c1cccc(c1)Cl)C	PC-id_111637554	415.963	WQNWQFWFZLBHNI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130579
CC1(CCOCC1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)Cl)Br	PC-id_164801009	416.014	PHKGFQLYIQSQPW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-130580
CC1=NC2=C(S1)CN(C2)C(=O)CC3=C(C=CC(=N3)C4=C(C=C(C=C4)F)F)[N+](=O)[O-]	PC-id_160971891	416.075	WHDQMIVFYXWAKH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-130581
CC1=C(NN=C1)SN2C=C3CN(CC3=N2)C(=O)C4(COC4)C5=C(C=CC=N5)Cl	PC-id_164872271	416.082	SSCVNAZDZXCHLY-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-130582
CC1=C(SC(=O)N1C)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4	PC-id_164872215	416.098	XBJIQHZANTZBSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130583
C1C2=C(SC=C2C(=O)N1[C@@H](CCC(=O)O)C(=O)N)COCC3=CC=C(C=C3)C=O	PC-id_149663193	416.104	ALPALGSMPSGLBE-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130584
C1C2=C(CN1C(=O)C3=CC=C(C=C3)C(F)(F)F)NN=C2NC(=O)C4=CC=C(C=C4)O	PC-id_165180394	416.11	QBEFEEHTWQQZFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130585
CC1=C(C(=NO1)C)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872320	416.115	OTZIPOBOPSTHFJ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130586
CC1CCc2c1c(CBr)nn2Cc1c(F)ccc(C)c1Br	MCULE-9120786200,EMOLS-id_331033347	416.126	LUUHAXBLEYWTNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130587
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(CBr)c12	MCULE-6689401402,EMOLS-id_331012285	416.126	WTURNRVBEPJIKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130588
Brc1c(NC(=O)c2sc3CCCc3c2)c(Br)cc(N)c1	PC-id_43549360	416.131	WTOHYPFJFRNVID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130589
Brc1c(NC(=O)c2sc3CCCc3c2)c(N)cc(Br)c1	PC-id_43548505	416.131	VLPKTCAQDSUDOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130590
C1C2=C(CN1C(=O)C3=C(C=C(C=C3O)O)NC4=CC=NN4CC5=CC=CC=C5)NN=C2	CHEMBL4470338,PC-id_155268721	416.16	MXRQUNHLHRJQOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130591
CN1C(=CC(=N1)C2=CC=CC=C2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	PC-id_155268722,CHEMBL4439684	416.16	MWRUYSZXDJRWAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130592
C[C@@H]1[C@@H]2[C@H](C(=O)N2C=C1SC3CN4C=NC=[N+]4C3)[C@@H](C)NC(=O)CN5C=NN=N5	PC-id_155099623	416.161	GXVZZQXLZYSKMA-IRHXVLAXSA-O	00001011100000000001001010000000000000000000000000000000	25-01-130593
BrC(c1sc2c(CCC2)c1)c1c(Br)cc(OCC)cc1	PC-id_80287537	416.171	NPCXSHHEKJXRGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130594
BrC(c1sc2c(CCC2)c1)c1c(OC)cc(c(Br)c1)C	PC-id_65433384	416.171	RIMJZPXDYBQUMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130595
BrC(c1sc2c(CCC2)c1)c1c(OCC)ccc(Br)c1	PC-id_63443046	416.171	CPVMJXJXGYJPHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130596
CCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)Br	PC-id_104661790	416.171	HCVHPFGEOBIQOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130597
CCNC(c1ccc(c(c1)Br)Br)c1sc2c(n1)CCC2	PC-id_108400399	416.174	TVDXGWSBOGJVFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130598
COCCn1c2c(CN(C2)C(=O)Nc2c(ccc(n2)C2=C(C=C(CC2)F)F)N)cn1	PC-id_163690439	416.177	JSNMGMINTRKPKJ-UHFFFAOYSA-N	00000010100011101001100010000000000000000000000000000000	25-01-130599
CC1=C2CC(CC2=C(S1)C(=O)CCC3=C(C=C(C=C3)OCCCO)OC)C(C)C	PC-id_163769476	416.202	MFEOBDVBYOLKFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130600
CCC1=C(C=C(C=C1)F)C2=CC(=C(N=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)C5CC5)N	PC-id_154689149	416.212	DBGJQZSDZNSMLW-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-130601
c1(NC(=O)c2c(I)cnn2C)sc2c(CCC2)c1C(=O)N	CoCoCo_6578427,TIMTEC254574,EMOLS-id_4097205,PC-id_17020371,ZINC22_2770915,MCULE-8848448714	416.237	JZQIEMICYPYBLF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130602
c1(C(F)F)c2CCCc2n(CC(=O)N(C)Cc2c(Br)cn(CC)n2)n1	PC-id_19590979,ZINC22_36613904,TIMTEC295078,EMOLS-id_8867455,MCULE-3585967815	416.264	LSUXZIKUVYBLQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130603
c1(C(F)F)c2CCCc2n(CC(=O)NCCCn2cc(Br)c(C)n2)n1	MCULE-3705923846,TIMTEC92376,EMOLS-id_8867317,PC-id_19590915,ZINC22_36613811	416.264	CAQQTSGLAFTSAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130604
c1(C(F)F)c2CCCc2n(CC(=O)NCCn2c(C)c(c(C)n2)Br)n1	ZINC22_36614027,MCULE-1856994881,EMOLS-id_8867609,TIMTEC316327,PC-id_19591052	416.264	MQNOGEHPBBMEJC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130605
Fc1cc(Br)ccc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324837115	416.267	ZGZRETHLQKSMJJ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130606
Fc1ccc(Cc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	EMOLS-id_324834558	416.267	CJZNTNSRUYGKRA-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130607
Fc1ccc(Cc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_324837617	416.267	WXYUGDQPDAGNSE-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130608
Fc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1Br	EMOLS-id_324836087	416.267	BLTHCEYTJBGARO-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130609
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)Cc1ccc(F)cc1	MCULE-7563836523	416.267	CJZNTNSRUYGKRA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130610
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)Cc1ccc(F)cc1	MCULE-9369305934	416.267	WXYUGDQPDAGNSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130611
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)Cc1ccccc1	MCULE-8213866389	416.267	ZGZRETHLQKSMJJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130612
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)Cc1ccccc1	MCULE-2302815967	416.267	BLTHCEYTJBGARO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130613
Clc1c(=O)n(ncc1Cl)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_3251289	416.279	BLTVVZDQLOROTF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-130614
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)c1ccc(s1)Br	PC-id_139746943	416.288	MWRFYBGPZYFQFP-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-130615
Brc1cccc(c1)C1=NOC(C1)C(=O)Nc1sc2CCCc2c1C#N	BAS-09529103,MCULE-1960079318,EMOLS-id_1513175,TIMTEC363431,PC-id_2975468	416.292	ORCWNBICSFJPCZ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-130616
N#Cc1c(NC(=O)[C@H]2CC(=NO2)c2cccc(Br)c2)sc2c1CCC2	PC-id_1093686,ZINC22_814978,CoCoCo_380522	416.292	ORCWNBICSFJPCZ-OAHLLOKOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-130617
N#Cc1c(NC(=O)[C@@H]2CC(=NO2)c2cccc(Br)c2)sc2c1CCC2	PC-id_1093687,ZINC22_814979,CoCoCo_380521	416.292	ORCWNBICSFJPCZ-HNNXBMFYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-130618
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CNC(=O)OCc1ccc(cc1)OC(F)(F)F	PC-id_90853341	416.309	FWQPEMWAUBWLQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130619
CN(c1ccc(cc1)OC(F)(F)F)C(=O)OC[C@@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69481159,SCHEMBL5541416	416.309	KXVNFNSCUCUVJP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130620
CN(c1ccc(cc1)OC(F)(F)F)C(=O)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5541415,PC-id_69481158	416.309	KXVNFNSCUCUVJP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130621
CN(c1ccc(cc1)OC(F)(F)F)C(=O)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5541422,PC-id_69481161	416.309	KXVNFNSCUCUVJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130622
CC(C)(C)OC(=O)N1Cc2c(Br)n(nc2C1(C)C)C(=O)OC(C)(C)C	ZINC22_95698599,EMOLS-id_45956877,MCULE-5808783417,PC-id_121229345	416.31	JSYJHWHDJHYEFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130623
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2n(c1Br)CCC2	NSC383346,PC-id_343565,CoCoCo_5637273,ZINC22_5664577,LI_194355	416.31	VBQRZIJLGWFYBF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-130624
COC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2c1CCC2	ZINC22_320427150	416.31	AXGQBJAVPPBFKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130625
Brc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1	EMOLS-id_45970262,ZINC22_27021971	416.315	DHCPQHFNHKQCMN-FAGQLRNJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130626
Brc1cccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)c1	EMOLS-id_45970264,ZINC22_27021977	416.315	XGKRURBYQXLVSA-FKEISFMISA-N	00000000100100110001000010000000000000000000000000000000	25-01-130627
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)C=Cc1cccs1	MCULE-3222635921	416.315	XGKRURBYQXLVSA-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130628
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)C=Cc1cccs1	MCULE-4807675490	416.315	IPTUKCIBTRSPAA-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130629
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)C=Cc1cccs1	MCULE-6384587539	416.315	DHCPQHFNHKQCMN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130630
c1(NC(=O)COc2ccc(cc2Cl)Cl)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_30135189,MCULE-1149814457,PC-id_3274751	416.322	AZMJOIQATIJTIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130631
CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1Cl)C[S@](=O)C2	ZINC22_4224960,PC-id_11883800	416.322	AZMJOIQATIJTIV-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-130632
CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1Cl)C[S@@](=O)C2	ZINC22_4224961,PC-id_11883799	416.322	AZMJOIQATIJTIV-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130633
Cc1ccc(CCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	EMOLS-id_324910592	416.324	UVRBCISIPMNVCJ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130634
Cc1ccc(CCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324904975	416.324	HBNJOJCWTIUTPX-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130635
Cc1ccc(CCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_324907520	416.324	BGHHMNCAPUUQBA-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130636
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCc1ccc(cc1)C	MCULE-2962367166	416.324	UVRBCISIPMNVCJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130637
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)CCc1ccc(cc1)C	MCULE-2653623356	416.324	HBNJOJCWTIUTPX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130638
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)CCc1ccc(cc1)C	MCULE-3343852015	416.324	BGHHMNCAPUUQBA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130639
CC(CNCC1(Cn2cc(nc2O1)[N+](=O)[O-])C)Oc1ccc(cc1)OC(F)(F)F	PC-id_90962783	416.352	RQKYOYIBFHVXSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130641
CN(CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CCOc1ccc(cc1)OC(F)(F)F	SCHEMBL5539310,PC-id_23081401	416.352	AQUYOXLCUINVMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130642
CN(C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CCOc1ccc(cc1)OC(F)(F)F	SCHEMBL5542999,PC-id_69481473	416.352	AQUYOXLCUINVMS-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130643
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cn1nc(cc1)C(F)(F)F)C(=O)N	PC-id_41971455	416.375	UMUMIDKRANPOHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130644
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1coc(n1)NC(=O)c1ccco1	PC-id_90515252	416.408	JWENUUWPVOYANT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-130645
CN(C(=O)c1nn(c2c1CCC2)C)Cc1ccccc1NS(=O)(=O)C(F)(F)F	PC-id_140039393	416.418	CORYDRUMEVEPBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130646
O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cnc2n1CCC2	ZINC22_97165057,PC-id_75524811,EMOLS-id_49355989,MCULE-8638665241	416.418	LOSPIQGXCRRAKN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130647
CN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1=C)[nH]nc2NC(=O)c1ccc(cc1F)F	PC-id_122626148,SCHEMBL18155690	416.424	VGCIPIVDGFXJBX-NSHDSACASA-N	00000010100010110001000010000000000000000000000000000000	25-01-130648
CCOC(=O)n1nc2c(c1NC(=O)Cc1ccc(cc1)OC)CN(C2(C)C)C(=O)O	PC-id_71191435,SCHEMBL14522079	416.428	AVSRBSOMTBHJDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130649
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)Nc1ccc(cc1)OC	PC-id_90733782	416.431	DEYRTHKPMQLZTJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130650
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N(C)C)CNC2(C)C	PC-id_57703906,SCHEMBL4286497	416.431	MMLOINSJPVDZGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130651
COc1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324835057	416.431	WRVGWQPBWLBAHD-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130652
COc1ccc(cc1)NC(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)ncc2[N+](=O)[O-]	PC-id_141620013	416.431	RCALSCBVBVFDOK-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-130653
COc1ccccc1OCc1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324870659	416.431	MPCCSQXKWZWHGF-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130654
COc1cccc(OCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324876805	416.431	VPNXMIJEXSQVNS-JYRVWZFOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130655
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1ccccc1OC	MCULE-1125050719	416.431	MPCCSQXKWZWHGF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130656
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1cccc(OC)c1	MCULE-3273561205	416.431	VPNXMIJEXSQVNS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130657
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)Cc1cccs1	MCULE-6283243055	416.431	WRVGWQPBWLBAHD-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-130658
Nc1ccc(cc1)COC(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5537382,PC-id_23081121	416.431	ODXVDSULNOSVCU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130659
O1C(CN2CC(N(CC2)C(=O)O)Cc2ccc(N)cc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635464	416.431	PUYYBNUFFKRHND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130660
O1C(CN2CCN(N(Cc3ccccc3)C(=O)O)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5542929,PC-id_69481454	416.431	LXJXYEOCFCYDJG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130661
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(OC(F)(F)F)cc1)C(=O)OC	PC-id_19680339	416.438	NQQRQFVXROWCFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130662
O=C(c1cccs1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1c(F)cccc1F	SCHEMBL1987489,PC-id_24948260	416.444	UARKXMMMUDSPAC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-130663
CC(C(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)F)C	PC-id_141417095	416.446	ASNGJCDNFPRUKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130664
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)C(C)C)NC(=O)c1ccc(cc1)F	SCHEMBL5098180,PC-id_69310279	416.446	IWDATRIEYICWHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130665
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C(C)C)c1ccc(cc1)F	PC-id_141257351	416.446	VAUJUDBCEFYCPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130666
c1(NC(=O)COC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C#N	ZINC22_812734,BAS-08765341,MCULE-8261417278,CoCoCo_375906,EMOLS-id_1508497,PC-id_1092081	416.448	FUKKSYPNUUMXIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130667
COc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1O	CoCoCo_2953081,PC-id_5956723,ZINC22_5933615	416.448	NOBUAOPGNOVMHQ-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130668
COc1cc(/C=CC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1O	CoCoCo_2953082	416.448	NOBUAOPGNOVMHQ-VURMDHGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130669
COc1cc(C=CC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1O	MCULE-1297251924,PC-id_3916794,EMOLS-id_26039740	416.448	NOBUAOPGNOVMHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130670
COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)C)cc2)sc2c1CCC2	MCULE-6214004024,CoCoCo_2906431,PC-id_2417603,ZINC22_3301980,EMOLS-id_3043381	416.448	GKXCRGIXEPVIQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130671
s1c2CCCc2cc1C(=O)OCc1oc(nn1)c1cc(OC)c(OC)c(OC)c1	PC-id_7291825	416.448	GVHSSDYXSNRPAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130672
s1c2c(CCC2)c(c1NC(=O)c1ccc(cc1)C(=O)OC)C(=O)NC(=O)OCC	PC-id_7521535	416.448	NYWAJKUUBYONBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130673
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)COc1ccc(cc1)C=O)C)C(=O)N	PC-id_8733667	416.448	AQGYCIXAQFECIF-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-130674
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)COc1ccc(cc1)C=O)C)C(=O)N	PC-id_8733671	416.448	AQGYCIXAQFECIF-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130675
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)C)ccc1)C(=O)OC	PC-id_16531093	416.448	FXRXPUSKRGITSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130676
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OC)cc(OC)c(OC)c1)C#N	PC-id_8753667	416.448	QFUDIHXHIWCDTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130677
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OC)c(OC)c(OC)cc1)C#N	PC-id_8610703	416.448	VADQOADRWPBPDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130678
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(ccc1)C(=O)C)C(=O)N	PC-id_7902965	416.448	NKGWFZKJVDTJLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130679
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)COc1ccc(cc1)C=O)C)C(=O)N	PC-id_84824535	416.448	AQGYCIXAQFECIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130680
c1(NC(=O)c2cc(ccc2N2CCOCC2)N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_2981723,EMOLS-id_2519493,MCULE-7820935091,SPECS-id_AN-153/I284504,CoCoCo_571962,ZINC22_4811241	416.451	WBXBRJSLQSKXDW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130681
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCOCC2)sc2c(CCC2)c1C(=O)N	CoCoCo_660476,PC-id_2852187,ZINC22_4982165,SPECS-id_AN-153/I259219,MCULE-7278508017,EMOLS-id_2360491	416.451	ZZTCFSYTYVEXAF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130682
c1(NC(=O)COc2cccnc2NC(=O)OCCOC)sc2c(CCC2)c1C#N	MCULE-8793739357,EMOLS-id_321795110	416.451	OSSCGPXMSKWYFJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130683
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(NC(=O)N)ccc1)C)C(=O)N	PC-id_8570624	416.451	JWSPGGUJZBVZJH-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-130684
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(NC(=O)N)ccc1)C)C(=O)N	PC-id_8570630	416.451	JWSPGGUJZBVZJH-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130685
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CNC(=O)N)cc1)C(=O)N	PC-id_32959185	416.451	DGPXBHOQJWSUOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130686
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(NC(=O)N)ccc1)C)C(=O)N	PC-id_78726777	416.451	JWSPGGUJZBVZJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130687
s1c2CCCc2c(c1NC(=O)COC(=O)CN1C(=O)C(NC1=O)(C1CC1)C)C#N	PC-id_78684156	416.451	AOSMYUPLOPOPGZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-130688
s1c2CCCc2c(c1NC(=O)COC(=O)CN1C(=O)[C@@](NC1=O)(C1CC1)C)C#N	PC-id_8394033	416.451	AOSMYUPLOPOPGZ-IBGZPJMESA-N	00100010100000000001100010000000000000000000000000000000	25-01-130689
s1c2CCCc2c(c1NC(=O)COC(=O)CN1C(=O)[C@](NC1=O)(C1CC1)C)C#N	PC-id_8394034	416.451	AOSMYUPLOPOPGZ-LJQANCHMSA-N	00100010100000000001100010000000000000000000000000000000	25-01-130690
c1(NC(=O)COc2nonc2C(=O)N2CCN(C)CC2)sc2CCCc2c1C#N	EMOLS-id_333662153,MCULE-6513165589	416.454	YAOMNXPKVMFESX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130691
Cc1noc(C)c1S(=O)(=O)N1Cc2c(C1)n(C)nc2C(=O)NCc1cccnc1	EMOLS-id_207863305,MCULE-6864508383	416.454	XLTVRPRSPGIWJZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-130692
O=C1CNc2n1nc(c2C(=O)Nc1scc(n1)c1ccccc1)Nc1ccccc1	PC-id_139225023	416.456	SKABUTSDFHPRCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130693
O=C1Nc2n(C1)nc(c2C(=O)Nc1scc(n1)c1ccccc1)Nc1ccccc1	PC-id_139225022	416.456	STHBAPKIIBWVAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130694
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1(CCC1)c1ccc(F)cc1)C(=O)N	PC-id_55538520	416.466	BYVPMINYMNFCII-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-130695
N#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)coc2)CC1OC1O	PC-id_144875308	416.469	CIRWXOMMOBFVID-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-130696
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)C(=O)C	PC-id_16947306	416.469	ZNIMVKSDHGMUOV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130697
s1c2CCC(C(=O)N3CCC(CC3)C(=O)N)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947324	416.469	GPFXKHHYCZHXDX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130698
c1(C(=O)NC2Cc3n(nc(C(=O)NCCOC)c3)C2)noc(C)c1CN1CCCC1	MCULE-2101176480	416.474	IBVMZRWDLJHAOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130699
c1(C(=O)N[C@H]2Cc3n(ncc3C(=O)NCCOC)C2)noc(C)c1CN1CCCC1	MCULE-8673517869,EMOLS-id_316322101	416.474	UBCMCFIVMBLMJS-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130700
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NCCOC)c3)C2)noc(C)c1CN1CCCC1	EMOLS-id_316333375,MCULE-8870904595	416.474	IBVMZRWDLJHAOA-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130701
c1(NC(=S)NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_4505179,MCULE-4724960756	416.474	PMJSUNMFFSQUHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130702
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2	PC-id_6132250,ZINC22_16399701,TIMTEC382473	416.474	PMJSUNMFFSQUHS-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130703
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1csc(n1)Nc1ncccn1	PC-id_90506070	416.477	LYRYPYZBRSLQGX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-130704
NC(=O)c1c(NC(=O)CSc2nnnn2c2ccc(O)cc2)sc2c1CCC2	EMOLS-id_3404034,MCULE-6567665652,ZINC22_9315718,PC-id_4844105,CoCoCo_3127142	416.477	LYTOMLLXWFYZKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130705
Fc1ccc(cc1)C=C1SC(=O)N(C1=O)CCNC(=O)c1sc2c(c1)CCC2	MCULE-4142369538,EMOLS-id_26061647,PC-id_72090254	416.489	HEZNEQZCAIOJPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130706
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)/C1=O)c1cc2c(s1)CCC2	CoCoCo_3207688,PC-id_97630143,ZINC22_96544236	416.489	HEZNEQZCAIOJPY-LICLKQGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130707
O=C(NCCN1C(=O)S/C(=Cc2ccc(F)cc2)/C1=O)c1cc2c(s1)CCC2	ZINC22_7407171,CoCoCo_3207687,PC-id_8502728	416.489	HEZNEQZCAIOJPY-YVLHZVERSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130708
s1c2CCCc2cc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	PC-id_9181090	416.489	OAVDLONYWRRRJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130709
s1c2CCCc2cc1C(=O)OCc1nc(sc1)N(c1c(F)cccc1)C(=O)C	PC-id_7623534	416.489	XKIFGBBUZGWSCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130710
c1(c2CCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1ccccc1OC	TIMTEC333775,PC-id_17377352,MCULE-4819788486,EMOLS-id_4097821	416.491	NJXMNBYWORMEGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130711
c1(c2CCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1cccc(OC)c1	MCULE-7808386938,EMOLS-id_4097773,PC-id_17377331,TIMTEC217656	416.491	IKQCAOMADFKYRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130712
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCC2)c1C(=O)NCc1ccco1	TIMTEC179291,PC-id_17377543,EMOLS-id_4097777,MCULE-9092390697	416.491	GTUFFAQCMFLGQJ-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130713
c1(NC(=O)c2cccc(c2)OC(=O)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386961,MCULE-5412294165	416.491	OHFNBCWDOQBLLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130714
c1(NC(=O)c2ccc(cc2)OC(=O)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3724215478,EMOLS-id_334386463	416.491	DZBKGQNGKYDHCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130715
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NC	MCULE-2648376956	416.491	HRXGEBLXCKXBOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130716
c1(NC(=O)C(C(C)C)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-1395172488,PC-id_4486781	416.491	ZYVKHFMHOCGSSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130717
c1(NC(=O)C(=O)NCc2ccc(cc2)OC(C)C)sc2c(CCC2)c1C(=O)OC	STOCK6S-08697,EMOLS-id_4737708,ZINC22_6669665,CoCoCo_6533753,MCULE-9494520467,PC-id_8034788	416.491	QPOUKDDJOOUFQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130718
CC1CCCCN1C(=O)COC(=O)c1c(sc2c1CCC2)NC(=O)c1ccco1	PC-id_17480013,MCULE-7659973941,EMOLS-id_13570678	416.491	ADKXSURZJHALCX-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130719
CC1CCCN(C1)C(=O)COC(=O)c1c(sc2c1CCC2)NC(=O)c1ccco1	PC-id_17478455,MCULE-9023240945,EMOLS-id_13565610	416.491	PLVKYTUALOVIBI-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130720
CC1CCN(C(=O)COC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)CC1	CoCoCo_2889334,MCULE-9113548603,ZINC22_10937191,PC-id_17478541,EMOLS-id_13565870	416.491	VIVWZUWZPWCJFI-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130721
C(Cc1ccc(cc1)O)(NC(=O)C)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-5993069889,EMOLS-id_328135429	416.491	FSXGLJYQFDFTPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130722
C[C@H]1CCCCN1C(=O)COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	PC-id_41733503,CoCoCo_2889318,ZINC22_10935152	416.491	ADKXSURZJHALCX-ZDUSSCGKSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130723
C[C@@H]1CCCCN1C(=O)COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	ZINC22_10935147,CoCoCo_2889319,PC-id_41733501	416.491	ADKXSURZJHALCX-CYBMUJFWSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130724
C[C@@H]1CCCN(C(=O)COC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)C1	PC-id_41734073,CoCoCo_2889333,ZINC22_10937184	416.491	PLVKYTUALOVIBI-CYBMUJFWSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130725
C[C@H]1CCCN(C(=O)COC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)C1	ZINC22_10937187,CoCoCo_2889332,PC-id_41734075	416.491	PLVKYTUALOVIBI-ZDUSSCGKSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130726
C[C@H](OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)C(=O)NC1CCCC1	ZINC22_10935497,PC-id_41733602,CoCoCo_2889321	416.491	BXOQPTVVXBRPSR-LBPRGKRZSA-N	00000010101000000000000010000000000000000000000000000000	25-01-130727
C[C@@H](OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)C(=O)NC1CCCC1	ZINC22_10935505,PC-id_41733604,CoCoCo_2889320	416.491	BXOQPTVVXBRPSR-GFCCVEGCSA-N	00000010101000000000000010000000000000000000000000000000	25-01-130728
CNC(=O)c1c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)sc2CCCc12	EMOLS-id_334328535	416.491	HRXGEBLXCKXBOJ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130729
COc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)O)sc2c1CCC2	PC-id_27525185,CoCoCo_6832341,ZINC22_17090674	416.491	NJXMNBYWORMEGH-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130730
COc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc2c1CCC2	PC-id_27525187,CoCoCo_6832340,ZINC22_17090675	416.491	NJXMNBYWORMEGH-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130731
COc1cccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCC3)c1	CoCoCo_6832361,PC-id_27525155,ZINC22_17090650	416.491	IKQCAOMADFKYRZ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130732
COc1cccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCC3)c1	PC-id_27525153,CoCoCo_6832362,ZINC22_17090649	416.491	IKQCAOMADFKYRZ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130733
O=C(C(OC(=O)c1c(sc2c1CCC2)NC(=O)c1ccco1)C)NC1CCCC1	PC-id_17478452,MCULE-8012403232,EMOLS-id_13565608	416.491	BXOQPTVVXBRPSR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-130734
O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6828757,ZINC22_17090655,PC-id_27525164	416.491	GTUFFAQCMFLGQJ-KGLIPLIRSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130735
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCOc1ccc(cc1)C)C)C(=O)N	PC-id_8250577	416.491	VCWDZLVYPNTTND-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130756
O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27525158,CoCoCo_6828758,ZINC22_17090652	416.491	GTUFFAQCMFLGQJ-UONOGXRCSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130736
O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27525160,CoCoCo_6828759,ZINC22_17090653	416.491	GTUFFAQCMFLGQJ-KBPBESRZSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130737
O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_17090654,CoCoCo_6828760,PC-id_27525162	416.491	GTUFFAQCMFLGQJ-ZIAGYGMSSA-N	00000010101010000000000010000000000000000000000000000000	25-01-130738
s1c2c(CCC2)c(c1NC(=O)c1ccc(OC(C)C)cc1)C(=O)NC(=O)OCC	PC-id_7521559	416.491	DLVAKOUJPGUECV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130739
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCCC)cc1)C(=O)NC(=O)OC	PC-id_7521441	416.491	MXHXXAHSSQQYFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130740
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCCC)ccc1)C(=O)NC(=O)OC	PC-id_7521457	416.491	BVOLTJPCEOMFSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130741
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(OCC)cc1)C(=O)NC(=O)OCC	PC-id_8720051	416.491	DRGQRFMMVGNUOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130742
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)C)cc1)C)C(=O)N	PC-id_8289027	416.491	UGDYYOFQXZEMJA-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130743
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(OC(C)C)cc1)C)C(=O)N	PC-id_8289028	416.491	UGDYYOFQXZEMJA-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130744
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(OCCC)cc1)C)C(=O)N	PC-id_8736463	416.491	JLRBTZCNWDFUMI-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130745
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(OCCC)cc1)C)C(=O)N	PC-id_8736466	416.491	JLRBTZCNWDFUMI-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130746
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1c(OC)ccc(c1)C)C)C(=O)N	PC-id_9310692	416.491	RWZCYCDOUCEPSG-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130747
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1c(OC)ccc(c1)C)C)C(=O)N	PC-id_9310693	416.491	RWZCYCDOUCEPSG-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130748
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1c(OC)cccc1)C)C(=O)N	PC-id_8956172	416.491	DHTVKIPXMYYLQD-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130749
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1c(OC)cccc1)C)C(=O)N	PC-id_8956181	416.491	DHTVKIPXMYYLQD-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130750
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCCOc1ccccc1)C)C(=O)N	PC-id_8251293	416.491	XHNCYANATXKJRG-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130751
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCCOc1ccccc1)C)C(=O)N	PC-id_8251297	416.491	XHNCYANATXKJRG-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130752
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCOc1cc(ccc1)C)C)C(=O)N	PC-id_8250224	416.491	YBQYNVNJJIRNKM-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130753
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCOc1cc(ccc1)C)C)C(=O)N	PC-id_8250227	416.491	YBQYNVNJJIRNKM-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130754
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCOc1ccc(cc1)C)C)C(=O)N	PC-id_8250571	416.491	VCWDZLVYPNTTND-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130755
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCOc1c(cccc1)C)C)C(=O)N	PC-id_8252957	416.491	GWSJELNXJKBGQT-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130757
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCOc1c(cccc1)C)C)C(=O)N	PC-id_8252964	416.491	GWSJELNXJKBGQT-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130758
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H](Oc1ccccc1)CC)C)C(=O)N	PC-id_8395990	416.491	STKZWFXVRRFOTE-WFASDCNBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130759
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H](Oc1ccccc1)CC)C)C(=O)N	PC-id_8395991	416.491	STKZWFXVRRFOTE-SWLSCSKDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130760
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@@H](Oc1ccccc1)CC)C)C(=O)N	PC-id_8395992	416.491	STKZWFXVRRFOTE-DOMZBBRYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130761
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@H](Oc1ccccc1)CC)C)C(=O)N	PC-id_8395993	416.491	STKZWFXVRRFOTE-IUODEOHRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130762
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H](Oc1cc(ccc1)C)C)C)C(=O)N	PC-id_8737923	416.491	OCLBHQRSLFAZCI-STQMWFEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-130763
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H](Oc1cc(ccc1)C)C)C)C(=O)N	PC-id_8737924	416.491	OCLBHQRSLFAZCI-QWHCGFSZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130764
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@@H](Oc1cc(ccc1)C)C)C)C(=O)N	PC-id_8737925	416.491	OCLBHQRSLFAZCI-OLZOCXBDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130765
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@H](Oc1cc(ccc1)C)C)C)C(=O)N	PC-id_8737926	416.491	OCLBHQRSLFAZCI-CHWSQXEVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130766
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)COc1c(c(ccc1)C)C)C)C(=O)N	PC-id_8551836	416.491	MTJNZBPMDAFVMR-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130767
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)COc1c(c(ccc1)C)C)C)C(=O)N	PC-id_8551848	416.491	MTJNZBPMDAFVMR-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130768
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)COc1c(cc(cc1)C)C)C)C(=O)N	PC-id_8885628	416.491	LZIYHQLMEWKXAH-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130769
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)COc1c(cc(cc1)C)C)C)C(=O)N	PC-id_8885632	416.491	LZIYHQLMEWKXAH-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130770
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C(=O)OC(C)C)C(=O)OC	PC-id_24583466	416.491	TUOXYLYBQZRYDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130771
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(COC(C)C)cc1)C(=O)N	PC-id_8985628	416.491	WZVWABBYGBFZBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130772
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N(C)C)cc1)C(=O)OCC	PC-id_7667728	416.491	GUNBWKJQYQIURH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130773
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(OC(C)C)cc1)C)C(=O)N	PC-id_78655598	416.491	UGDYYOFQXZEMJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130774
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(OCCC)cc1)C)C(=O)N	PC-id_84825423	416.491	JLRBTZCNWDFUMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130775
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCC(C)C)cc1)C(=O)N	PC-id_7194198	416.491	MECJOUUPEFWEDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130776
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCCCC)cc1)C(=O)N	PC-id_8863196	416.491	XVTKADCBECILNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130777
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(N(C)C)ccc1)C(=O)OCC	PC-id_7666747	416.491	GXMDUJROPCQTPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130778
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1c(OC)ccc(c1)C)C)C(=O)N	PC-id_84977089	416.491	RWZCYCDOUCEPSG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130779
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1c(OC)cccc1)C)C(=O)N	PC-id_84882931	416.491	DHTVKIPXMYYLQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130780
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1c(OCC)cccc1)C(=O)N	PC-id_8731218	416.491	MWESDMRNEMXAPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130781
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCOc1ccc(cc1)C)C(=O)N	PC-id_7147742	416.491	YDGJIPYNSDPDJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130782
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCOc1cc(ccc1)C)C(=O)N	PC-id_7148030	416.491	OWVXGEAFXUUCOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130783
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCCOc1ccccc1)C)C(=O)N	PC-id_78642993	416.491	XHNCYANATXKJRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130784
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCOc1c(cccc1)C)C)C(=O)N	PC-id_24496487	416.491	GWSJELNXJKBGQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130785
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1c(ccc(c1)C)C)C(=O)N	PC-id_32342420	416.491	PTVRTMZDKSUMST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130786
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCOc1cc(ccc1)C)C)C(=O)N	PC-id_78642663	416.491	YBQYNVNJJIRNKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130787
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCOc1ccc(cc1)C)C)C(=O)N	PC-id_78642757	416.491	VCWDZLVYPNTTND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130788
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(Oc1ccccc1)CC)C)C(=O)N	PC-id_78684809	416.491	STKZWFXVRRFOTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130789
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)COc1c(c(ccc1)C)C)C)C(=O)N	PC-id_78722217	416.491	MTJNZBPMDAFVMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130790
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(cc(cc1C)C)C)C(=O)N	PC-id_7997494	416.491	SVGSFYRLXDDQIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130791
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(Oc1cc(ccc1)C)C)C)C(=O)N	PC-id_84825934	416.491	OCLBHQRSLFAZCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130792
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)COc1c(cc(cc1)C)C)C)C(=O)N	PC-id_84864275	416.491	LZIYHQLMEWKXAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130793
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(C(C)C)cccc1)C(=O)N	PC-id_7903696	416.491	CHTCYRYLRGIVLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130794
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(C(C)C)cc1)C(=O)N	PC-id_8598062	416.491	LMXFZRVNJUEOMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130795
s1c2c(CCC2)c(c1NC(=O)CON=Cc1ccc(OCC)cc1)C(=O)OCC	PC-id_7669817	416.491	BCIZJTWRLHNJHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130796
CC1CCc2nn(Cc3ccccc3I)c(Br)c12	EMOLS-id_331016365,MCULE-8287012734	417.083	OQVQYISKAHAFME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131012
NC(=O)c1c(NC(=O)CSc2nccn2c2cccc(F)c2)sc2c1CCC2	ZINC22_5117914,PC-id_16333174,CoCoCo_4181538,MCULE-4687168392,EMOLS-id_11771797	416.492	MRYVQEPLLZFGNZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130797
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(Cc2ccccc2)cccc1)C#N	PC-id_8752615	416.492	YUMLAJHFAQYEDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130798
s1c2CCCc2c(c1NC(=O)COC(=O)Cc1ccc(c2ccccc2)cc1)C#N	PC-id_24350244	416.492	DEJNZRUSZVCJCD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-130799
s1c2CCCc2c(c1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1)C#N	PC-id_8578738	416.492	ZCRQXCKFZHKDAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130800
s1c2c(CCC2)c(c1NC(=O)CSc1[nH]c(c2ccc(F)cc2)cn1)C(=O)N	PC-id_24499216	416.492	DWCFLTPAPFOCAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130801
S1Cc2c(nn(c2NC(=O)c2sccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053641	416.492	LZUOHIIXVGROGI-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-130802
c1(NC(=O)COc2ccccc2)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913347,PC-id_44053072,MCULE-2714040251	416.494	IFGVHXYYMAQBBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130803
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCO)sc2CCCc2c1C#N	MCULE-3146784651,EMOLS-id_331929117	416.494	IHLCLLJNJQIOBK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-130804
CC(C)(C)c1noc(CCCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)n1	ZINC22_32922204,PC-id_40159735,CoCoCo_4868690,EMOLS-id_25015175,MCULE-9463467380	416.494	RQNXPYONUFARQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130805
CCOC(=O)c1c(c2c(s1)[S+]=C(C2=NC=Nc1ccccc1)C(=O)OCC)N	PC-id_136700367	416.494	NLEMRHLURZUHFA-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-130806
CN1CC(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)N)S(=O)(=O)C)C3)C1	CHEMBL4565511	416.494	ADJYBFUZEWNGKF-HXUWFJFHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-130807
COc1ccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	CHEMBL1327677,CoCoCo_3587305,EMOLS-id_42590464,ZINC22_12866855,ChEMBL-DNDi_CHEMBL1327677,CoCoCo_3587306,PC-id_24980529,MCULE-2969537436	416.494	NIMDAQPYSVYEGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130808
O=C(Cn1nc2c(c1NC(=O)COc1ccccc1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277623,ZINC22_23139102,PC-id_30862407	416.494	IFGVHXYYMAQBBN-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130809
O=C(Cn1nc2c(c1NC(=O)COc1ccccc1)CSC2)NC[C@@H]1CCCO1	PC-id_30862405,CoCoCo_5277622,ZINC22_23139099	416.494	IFGVHXYYMAQBBN-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130810
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)C(=O)c1occc1)C)C(=O)N	PC-id_9431841	416.494	RBYXLODWGBKDNO-LBPRGKRZSA-N	00000010101010000001000010000000000000000000000000000000	25-01-130811
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)C(=O)c1occc1)C)C(=O)N	PC-id_9431846	416.494	RBYXLODWGBKDNO-GFCCVEGCSA-N	00000010101010000001000010000000000000000000000000000000	25-01-130812
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/c1c(n(nc1C)C)C)C)C(=O)N	PC-id_8957223	416.494	UQYKRVLCGJWREJ-BCPZQOPPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130813
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C=C/c1c(n(nc1C)C)C)C)C(=O)N	PC-id_8957226	416.494	UQYKRVLCGJWREJ-IDVQTMNDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130814
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1oc(cc1)C)C(=O)N	PC-id_56384500	416.494	QORFIMJOACZMDI-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-130815
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)c1occc1)C)C(=O)N	PC-id_85008409	416.494	RBYXLODWGBKDNO-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-130816
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1cc(OC)ccc1)C)C(=O)N	PC-id_9198800	416.494	SGZCDILPGUAZHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130817
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1c(n(nc1C)C)C)C)C(=O)N	PC-id_84883302	416.494	UQYKRVLCGJWREJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130818
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1ccc(OC)cc1	PC-id_44053135	416.494	VOOIXCILSSWLKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130819
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(OC)ccc1	PC-id_44053134	416.494	INHNSHBMTPCPLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130820
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1c(OC)cccc1	PC-id_44053133	416.494	LQUCWOWZGLTBEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130821
S1Cc2c(nn(c2NC(=O)CCC(=O)OCC)CC(=O)NCc2ccccc2)C1	PC-id_44053464	416.494	OHDPIRBBYBGAEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130822
N#Cc1c(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)sc2c1CCC2	CoCoCo_3846277,EMOLS-id_3697501,PC-id_16355276,MCULE-4218619572,ZINC22_9861417	416.495	XNJDLUYTFFDLED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130823
CC[C@H]1CN(CCN1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F	BindingDB_PC-id_59333950,PC-id_59333950,SCHEMBL3327747	416.496	QGXMVFJEJZPAES-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-130824
CC[C@@H]1CN(CCN1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F	BindingDB_PC-id_59333988,PC-id_59333988,SCHEMBL3326583	416.496	QGXMVFJEJZPAES-CYBMUJFWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-130825
CN1C[C@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F	PC-id_59333985,SCHEMBL7014168	416.496	OHGGKMIGVXXLRP-RYUDHWBXSA-N	00000010100010100001000010000000000000000000000000000000	25-01-130826
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F	SCHEMBL3322972,PC-id_59334010	416.496	OHGGKMIGVXXLRP-NEPJUHHUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-130827
CN1CCN(C(C1)(C)C)C(=O)n1nc(c2c1C(C)(C)NC2)Nc1nc(C)ncc1F	SCHEMBL21143486,PC-id_139299943	416.496	OOGNTCBCJWGYSU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-130828
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1csc2c1SC(C2)C	SCHEMBL9833673,PC-id_14153203	416.496	IKOADBVDMMRQBW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-130829
O=C(Nc1ccc(cc1)C)CCc1nnc2n1c(=O)/c(=C/C=C/c1ccccc1)/s2	NSC625828	416.496	XYXMMVZHRHNZGQ-VNVABUEJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130830
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ncnc(c1)N1CCN(CC1)C	PC-id_92105297	416.497	WATHPSIBPJNOLX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-130831
CCCCOC(=O)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1101370485,EMOLS-id_328220534	416.512	RQYGYCRVDPTOFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130832
CC(C)COC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328218493,MCULE-2638279996	416.512	PMLMTZGWMUAIGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130833
CCCCOC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328221555,MCULE-7410462361	416.512	IBXFOLZVDDGMRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130834
CCOC(=O)CN(Cc1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328337051,MCULE-4540768458	416.512	AHCHBVQOFLSBQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130835
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCCN(CC1)c1ccc(cc1)F	PC-id_87019492	416.512	GGZWWVUSCKMFKN-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-130836
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1ccc(F)cc1)C)C(=O)N	PC-id_9431516	416.512	XFXNRUOZOFAKCG-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130837
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1ccc(F)cc1)C)C(=O)N	PC-id_9431518	416.512	XFXNRUOZOFAKCG-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130838
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1ccc(F)cc1)C)C(=O)N	PC-id_85008347	416.512	XFXNRUOZOFAKCG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130839
S1Cc2c(NC(=O)C3CCCCC3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053662	416.512	SXBOCQBESIZVQG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130840
S1Cc2c(NC(=O)CC3CCCC3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053664	416.512	UEOOEPMBROJQOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130841
c1(NC(=O)c2ccc(c3c(C)noc3C)s2)sc2c(CCC2)c1C(=O)OCC	PC-id_4732513,MCULE-4445946349	416.514	LRORHOWFXCSMED-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-130842
c1(NC(=O)CS(=O)C(C)C(=O)OCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-7923970070,EMOLS-id_320642559	416.514	NBEGLPKAMRYXTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130843
c1(NC(=O)CS(=O)CC(=O)OCCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-5897854679,EMOLS-id_320677739	416.514	USDDCJSCKPISSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130844
c1(NC(=S)NC(=O)C=Cc2ccccc2OC)sc2c(CCC2)c1C(=O)OC	PC-id_3563577,MCULE-1602165297	416.514	NVLCLLMKSRHUEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130845
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)Cc1ccc(cc1)C(=O)OCC	EMOLS-id_186604616,MCULE-1960685741	416.514	SDGMYJSAAUKWIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130846
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)Cc1cc(C(=O)OCC)ccc1	EMOLS-id_186608490,MCULE-1023925532	416.514	FCVLFMWWZDDROA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130847
CCc1oc(c2ccccc2S(=O)(=O)C)cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_56675684,CHEMBL1821942	416.514	AEUWEGCQLREBEG-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-130848
COC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2OC)sc2c1CCC2	CoCoCo_6305777,TIMTEC344015,ZINC22_4734402,PC-id_5861927,EMOLS-id_26649754,SPECS-id_AN-153/I196750,SPECS-id_AT-084/J174561	416.514	NVLCLLMKSRHUEQ-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130849
COC(=O)c1c(NC(=S)NC(=O)/C=Cc2ccccc2OC)sc2c1CCC2	CoCoCo_6305778	416.514	NVLCLLMKSRHUEQ-KHPPLWFESA-N	00000010100000110000000010000000000000000000000000000000	25-01-130850
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C=C/Sc1ccccc1)C)C(=O)N	PC-id_8628167	416.514	XKKABKBMKHLTGW-IIANPFDCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130851
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(O)cccc1)C(=O)OC	PC-id_7765180	416.514	OQVAXAWVOKTIGZ-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-130852
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)Nc1c(OC)cccc1	PC-id_7279761	416.514	MOMOKKRHZQICEJ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-130853
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC=C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_2193851	416.514	NQDYHDZKSATJKD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130854
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(SC)cc1)C(=O)N	PC-id_3948602	416.514	JRRFKQSAKHTHQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130855
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(SC)cc1)C(=O)N	PC-id_5966710	416.514	JRRFKQSAKHTHQL-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130856
s1c2CCCc2c(c1NC(=O)COC(=O)CCC(=O)c1c(sc(c1)C)C)C#N	PC-id_7790784	416.514	LYEKRXSIXSGWMC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-130857
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=CSc1ccccc1)C)C(=O)N	PC-id_78740285	416.514	XKKABKBMKHLTGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130858
S(=O)(=O)(N1Cc2c(C1)cn(S(=O)(=O)c1ccc(cc1)C)c2)c1ccc(cc1)C	PC-id_51351044	416.514	CPWRHJHZPNMLMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130859
Cc1ccccc1C(c1ccccc1)N1CCN(CC1)C(=O)c1nn2CCOc2c1C	PC-id_91959905	416.515	RLQDUFGKEJDMHZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130860
O=C(C1CCc2n1ncc2)Nc1ccc(cc1)CC1CCC(N1)C(c1ccccc1)O	PC-id_70869885,SCHEMBL13270347	416.515	XNUVYKGGSLXHBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130861
O=C(C1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	PC-id_140560968	416.515	XNUVYKGGSLXHBK-VFBLGZRQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130862
O=C([C@@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)C(c1ccccc1)O	SCHEMBL1155513,PC-id_66924458	416.515	XNUVYKGGSLXHBK-GKXQJSAQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130863
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)C(c1ccccc1)O	SCHEMBL1155570,PC-id_66924478	416.515	XNUVYKGGSLXHBK-VXMSGLDVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130864
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	PC-id_66924477,SCHEMBL1155567	416.515	XNUVYKGGSLXHBK-MZURWIMNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130865
O=C([C@@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	SCHEMBL1155512,PC-id_66924457	416.515	XNUVYKGGSLXHBK-KELGSRBJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130866
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CCC(N1)[C@@H](c1ccccc1)O	PC-id_70869740,SCHEMBL13269977	416.515	XNUVYKGGSLXHBK-RJYPWGPHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130867
O[C@@H]([C@@H]1C[C@@H](CC1)Cc1ccc(NC(=O)[C@@H]2n3nccc3CC2)cc1)c1cccnc1	PC-id_58125210	416.515	AKIKYLIWZNAJGR-TWXAQOBRSA-N	00000010100000111001000010000000000000000000000000000000	25-01-130868
O[C@@H]([C@@H]1C[C@@H](CC1)Cc1ccc(NC(=O)[C@H]2n3nccc3CC2)cc1)c1cccnc1	PC-id_58125211	416.515	AKIKYLIWZNAJGR-WJNSRDFLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-130869
c1(NC(=O)c2c(C)nc(c3ccc(c(OC)c3)OC)s2)n(C)nc2CSCc12	ZINC22_604419350,SPECS-id_AO-022/43514460,EMOLS-id_188941305,MCULE-6799424535,STOCK7S-64963	416.517	WUMAUXSYTKLABV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130870
c1(NC(=O)Cc2csc(c3ccc(c(OC)c3)OC)n2)n(C)nc2CSCc12	EMOLS-id_320481352,MCULE-4184052121	416.517	CUPAMCHWGVFUMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130871
C[C@@H]1OCCN(C1)c1ccc(c[nH+]1)CNC(=O)NNC(=O)c1sc2c(c1)CCC2	GD-id_ZINC45877174	416.517	REZVMFQMYDMSHF-ZDUSSCGKSA-O	00000010100010101001100010000000000000000000000000000000	25-01-130872
CC[N@H+](CC(=O)/N=c/1[nH]c2c(s1)CCC2)CC(=O)Nc1ccc(cc1)NC(=O)C	GD-id_ZINC52513970	416.517	HGAJQWGWSRKTQS-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-130873
N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1	CoCoCo_4164356,EMOLS-id_2892920,PC-id_16235566,ZINC22_9950360,MCULE-7318006044	416.517	IXASRQRYDRNREM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130874
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1	MCULE-4238649568,EMOLS-id_13406073,ZINC22_8184601,CoCoCo_4164344,PC-id_9318171	416.517	VFNRWQMLDXWAJW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130875
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)CCc1cccs1	SCHEMBL2914971,PC-id_68439418	416.517	NRXOSRWBPDLCLU-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-130876
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)CCc1cccs1	PC-id_141251769	416.517	AKUGHOXAAGXKMQ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-130877
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)CCc1cccs1	PC-id_68439419,SCHEMBL2914974	416.517	PLDOPWDWLKBXEF-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-130878
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncccn1)C(=O)OCC	PC-id_8067509	416.517	NKAKBPGABGGQRC-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-130879
s1c2c(CCC2)c(c1NC(=O)CSc1nc(nc(c1C#N)C)C)C(=O)OCC	PC-id_24631017	416.517	QAQMTNZOYGEZMM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-130880
C=NN(c1ccccc1)C(=NN)SCC(=O)Nc1c(c2c(s1)CCC2)C(=O)N	PC-id_88275150	416.52	XRDKASQKSHHSKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130881
N/N=C(N(c1ccccc1)N=C)/SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	SCHEMBL8288779	416.52	XRDKASQKSHHSKR-PTGBLXJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130882
CN1CCN(CC1)c1cc(nc(n1)/C=C/c1ccccc1)Nc1n[nH]c2c1CN(C2)C	PC-id_143436183	416.522	DBFYEIJGTPBTJE-CMDGGOBGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130883
COC(=O)C/C(=C(/c1c(C)sc2c1CCC2)c1ccc(cc1)C(F)(F)C)/C(=C)C	PC-id_144088378	416.524	RSCQTQJVQXVIDD-NMWGTECJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130884
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)NC1CCCCC1	MCULE-7359143504,PC-id_17377339,EMOLS-id_4098029,TIMTEC94506	416.534	CDAQZPATSIGLSB-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-130885
c1(NC(=O)c2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)NC	MCULE-6396495006,EMOLS-id_334328030	416.534	BMEQBTOTHJHOEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130886
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388507,MCULE-8746814060	416.534	WMYBADJMETXLDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130887
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_19114695,MCULE-1697688599	416.534	YXVQYCNQQNKLRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130888
c1(NC(=O)CCc2ccccc2OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386458,MCULE-3791708545	416.534	GRSYWLAIKUXGSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130889
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389018,MCULE-5820617524	416.534	ARSIDPLVPBRWAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130890
c1(NC(=O)CCc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386714,MCULE-3019180893	416.534	LCAYCVMOORCGDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130891
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387993,MCULE-7719435271	416.534	OIJBRFOWXREJBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130892
CC1CCc2nn(Cc3cccc(I)c3)c(Br)c12	EMOLS-id_331016109,MCULE-5216972064	417.083	GSQHXKCMGFUEIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131013
c1(NC(=O)COc2ccc(cc2C(C)(C)C)OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331096,MCULE-4393720827	416.534	MQRPMJMDCAUBCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130893
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386195,MCULE-8153592383	416.534	VTHCQDOCVTVVIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130894
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334392083,MCULE-6612834412	416.534	RNPHEFUZYGQOQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130895
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388504,MCULE-6169833278	416.534	NUMDSADMRNEKML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130896
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334392082,MCULE-8606682220	416.534	VJELUGJHFHFVEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130897
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4243929549,EMOLS-id_334387992	416.534	AQNWFDGENOYTFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130898
Cc1c(c2c(n1CC(=O)C)CCC2)Cc1ccccc1S(=O)(=O)N1CCOCC1	PC-id_89861965,SCHEMBL15335396	416.534	KFXFZFVXVZLFCV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130899
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2c(s1)CCC2	MCULE-7316109587,ZINC22_3323424,PC-id_2438882,CoCoCo_3366820,EMOLS-id_3338423	416.534	JAFDFQUWSHKPBH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-130900
COCCN(C1CCS(=O)(=O)C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328335517,MCULE-7753139573	416.534	MRMLXZPHPYVPCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130901
OC(c1ccc(cc1)NC1CCOCC1)Nc1sc2c(c1C(=O)O)C(CC2)(C)C	PC-id_139404239,SCHEMBL21261111	416.534	MAYDURBFPOMZCH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130902
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832320,PC-id_27525266,ZINC22_17090768	416.534	CDAQZPATSIGLSB-CABCVRRESA-N	00000010100011000000000010000000000000000000000000000000	25-01-130903
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832323,ZINC22_17090767,PC-id_27525264	416.534	CDAQZPATSIGLSB-HUUCEWRRSA-N	00000010100011000000000010000000000000000000000000000000	25-01-130904
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27525260,CoCoCo_6832321,ZINC22_17090765	416.534	CDAQZPATSIGLSB-LSDHHAIUSA-N	00000010100011000000000010000000000000000000000000000000	25-01-130905
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27525262,CoCoCo_6832322,ZINC22_17090766	416.534	CDAQZPATSIGLSB-GJZGRUSLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-130906
O=C(OC(C)(C)C)N[C@H](C(=O)NCC1C(O)Cc2c1ccs2)Cc1ccccc1	SCHEMBL14530811,PC-id_71193948	416.534	CSTCCTHSMZXKOL-ADKAHSJRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130907
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)Cc1c(OC)c(OC)c(OC)cc1	PC-id_9069741	416.534	ZCJXCLLOKXERGQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130908
s1c2c(CCC2)c(c1NC(=O)CN(CC(O)CC)c1ccccc1)C(=O)OCC	PC-id_56449532	416.534	NUXVOTZOWPYQRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130909
s1c2c(C(C(O)C2)CNC(=O)C(NC(=O)OC(C)(C)C)Cc2ccccc2)cc1	PC-id_78026249	416.534	CSTCCTHSMZXKOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130910
c1(NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4248099625	416.535	HANFXURGWCJJQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130911
O=C(Nc1sc2CCCc2c1C(=O)NCCc1ccccc1)/C=C/c1ccccc1	EMOLS-id_334330538	416.535	HANFXURGWCJJQV-CCEZHUSRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130912
c1(NC(=O)c2ccc(cc2)C(C)(C)C)c2CSCc2nn1CC(=O)NCCOC	CoCoCo_5277580,PC-id_30862296,ZINC22_23138978,EMOLS-id_24913291,MCULE-1904819844	416.537	OXVYLJCZDHGFIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130913
c1(NC(=O)COc2ccc(cc2)C(C)C)c2CSCc2nn1CC(=O)NCCC	MCULE-2919475259,ZINC22_23138766,PC-id_30862105,CoCoCo_5277503,EMOLS-id_24913147	416.537	FLWUSFZGHFSEHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130914
CCCCn1c(N)c(N(C(=O)c2cc3c(s2)CCC3)C2CCCC2)c(=O)[nH]c1=O	CoCoCo_3312346,MCULE-3601487518,ZINC22_14158147,EMOLS-id_13477976,PC-id_17454759	416.537	BRAUGJYZPXIAFT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-130915
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(s1)c1ccccc1	SCHEMBL14055296,PC-id_89236783	416.537	KGQYPUJMEYDERO-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-130916
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)C(=O)N1CCOCC1)C#N	PC-id_60253647	416.537	AZYQOVSCOQBNFV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130917
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)C(=O)N1CCOCC1)C#N	PC-id_78836456	416.537	UYXWNPVGLBPNJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130918
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1[nH+]cccc1)C(=O)OCC	PC-id_8547252	416.537	CQYNARXKGLUKPN-UHFFFAOYSA-P	00000010100010101001100010000000000000000000000000000000	25-01-130919
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1sccc1)Cc1occc1)C(=O)N	PC-id_8677997	416.537	BVCNTUDWSLPLAY-UHFFFAOYSA-O	00000010101100000000000010000000000000000000000000000000	25-01-130920
S1Cc2c(NC(=O)CCC3CCCCC3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053259	416.537	JQJVXPOEEKJPNU-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-130921
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)CC(C)(C)C	PC-id_44053514	416.537	JESRNUXJDLUIRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130922
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)C(CC)CC	PC-id_44053515	416.537	GQPLDMORFMVMJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130923
S1Cc2c(nn(c2NC(=O)c2ccc(OCCCC)cc2)CC(=O)NCCC)C1	PC-id_44052880	416.537	OXBGRSSRJJCWGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130924
S(=O)(=O)(N1CC(CC(C1)C)C)c1ccc(cc1)C(=O)Nc1n(nc2c1CCC2)C	PC-id_45536289	416.537	TWRSDSUFVNEBAX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130925
S(=O)(=O)(N1C(CCCC1)CC)c1ccc(cc1)C(=O)Nc1n(nc2c1CCC2)C	PC-id_45536317	416.537	YESYUEIVJSGCBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130926
S(=O)(=O)(N(C1CCCCC1)C)c1ccc(cc1)C(=O)Nc1n(nc2c1CCC2)C	PC-id_45536314	416.537	FIRKVEHRPVYKOZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-130927
CCN(CC)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_45966217,ZINC22_16735420	416.539	XEYJJGISZNFFIT-LRFXARPXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130928
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)C=Cc1ccc(cc1)C	MCULE-8881467120	416.539	XEYJJGISZNFFIT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130929
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1Cc1cccs1	MCULE-9295871298,EMOLS-id_335767720	416.544	ZITRPTRHPUCBBN-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-130930
CCCCCCOc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328220280,MCULE-6437272978	416.555	NZFTVZCYBSBADS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130931
CC(C)(C)Oc1cccc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328215421,MCULE-1206137898	416.555	CFORMWVBVMBTGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130932
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334337698,MCULE-7690208188	416.557	DAMQZMOIROJPIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130933
c1(NC(=O)CS(=O)CCCCOc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_320676204,MCULE-7090657241	416.557	GKZXEIBGJDHKIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130934
c1(NC(=O)CS(=O)CCCCOc2ccccc2C)sc2c(CCC2)c1C#N	EMOLS-id_320676460,MCULE-2343501598	416.557	OHPUYGRKWGEMOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130935
c1(NC(=O)CS(=O)CCCCOc2cccc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_320644852,MCULE-4660365786	416.557	YWCGOZVYGDRJNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130936
c1(NC(=O)CS(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C#N	MCULE-1758111328,EMOLS-id_320644340	416.557	HISAFUOXSMWGDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130937
c1(NC(=O)CS(=O)CCOc2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320677230,MCULE-8114640517	416.557	ZYFUDYVMLCIEET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130938
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C1CCCCC1	PC-id_89237351,SCHEMBL14055948	416.557	PXHPPIFIFFTXIJ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-130939
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](CCOc1cc(cc(c1)C)C)C)C)C(=O)N	PC-id_26430369	416.557	HKOYRSZQXQRFKP-OAHLLOKOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130940
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](CCOc1cc(cc(c1)C)C)C)C)C(=O)N	PC-id_26430371	416.557	HKOYRSZQXQRFKP-HNNXBMFYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130941
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC(C)C)C(=O)Nc1ccc(OCC)cc1	PC-id_7279757	416.557	MXGCHFFZMQZXQR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130942
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(N(C)C)cc1)C)C(=O)OCC	PC-id_8457062	416.557	RZSCXZZTXIDSKK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130943
s1c2c(CCC2)c(c1NC(=O)C([NH+](CCOc1cc(cc(c1)C)C)C)C)C(=O)N	PC-id_85455116	416.557	HKOYRSZQXQRFKP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-130944
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(C(C)C)cc1)C(=O)OCC	PC-id_17177632	416.557	BPZHEIRNECOLDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130945
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1CC1CCCCC1	EMOLS-id_335769766,MCULE-6622865580	416.563	BBQQGJZHDZOMAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130946
c1c(nc(s1)N=C(N)N)CSCCCN=C1c2cscc2S(=O)(=O)N1	PC-id_135898806	416.565	INTRCLDXDVAJFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-130947
c1(NC(=O)CCCC(=O)OC2CCC(CC2)C(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_6804987,PC-id_4917233,TIMTEC588911,ZINC22_4689402,MCULE-8296064699	416.577	ZCQZVDWGCYQFNP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-130948
N#Cc1c(NC(=O)CCCC(=O)O[C@@H]2CC[C@H](CC2)C(C)(C)C)sc2c1CCC2	CoCoCo_1980313	416.577	ZCQZVDWGCYQFNP-WKILWMFISA-N	00000010100010000000000010000000000000000000000000000000	25-01-130949
N#Cc1c(NC(=O)CCCC(=O)O[C@@H]2CC[C@@H](CC2)C(C)(C)C)sc2c1CCC2	CoCoCo_1980314	416.577	ZCQZVDWGCYQFNP-IYBDPMFKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-130950
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)CN1CC(OC(C1)C)C)C#N	PC-id_56525882	416.58	LNOLWCYZJUMVSI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130951
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)CCN1CCOCC1)C#N	PC-id_56526200	416.58	RACNWHGYXIYTMO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-130952
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NCCCCC)C#N	PC-id_55853051	416.58	VWOILRQEUHDVNA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-130953
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC(C1)C(=O)NCCCC)C)C#N	PC-id_56525965	416.58	HAEKZIOSNYOGGM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-130954
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NC(C(C)C)C)C#N	PC-id_56526536	416.58	SIIJXIOTWAKSIC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-130955
s1c2c(CCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C(C)C)C(=O)OC	PC-id_19687897	416.6	KABVGDMSPXQEQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130956
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_20179603	416.6	UBRMHNLSLNBMQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130957
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)C)C(=O)OC	PC-id_20168478	416.6	JANOAJUBWXMFDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130958
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_20179681	416.6	JCXAJDFGEWLKBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130959
CN(C(=O)c1ccc(c(c1)Cl)I)Cc1nnc2n1CCC2	PC-id_103734902	416.645	RBGRJZYQUSGDBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130960
O=C(c1ccc(c(c1)Cl)I)NC(c1nnc2n1CCC2)C	PC-id_103735203	416.645	GGOMROBTAIVXGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130961
c1(NC(=O)C(C)Oc2ccc(cc2Br)Cl)n(C)nc2CSCc12	MCULE-5721279297,EMOLS-id_334563516	416.72	ZLZHWQBWCNMNLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130962
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)Cc1ccc(F)cc1	MCULE-6633898164	416.813	RZUPADCYTNHWSR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130963
[O-][N+](=O)c1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)ccc1Cl	EMOLS-id_324841201	416.813	RZUPADCYTNHWSR-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-130964
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)Cl)NC(=O)c1ccc(cn1)C#N	SCHEMBL2672015,PC-id_59508114	416.818	QVRCKHRHIDFVGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-130965
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc2c(s1)CCC2	ZINC22_14895523,PC-id_26286679,EMOLS-id_24988659,CoCoCo_3199628,MCULE-3859929439	416.845	OPMFQNJIAXJHJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130966
c12nc(sc1CN(Cc1ccc(cc1)F)C2=O)NC(=O)Nc1ccccc1Cl	MCULE-2928768621,PC-id_53188482,EMOLS-id_33030428	416.856	HTZPZQFYQUARLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130967
Clc1c(NC(=O)C2(NNc3sccc23)NC(=O)c2cc(F)ccc2)cccc1	PC-id_68463953,SCHEMBL2977479	416.856	YTOVHTBBLZSMAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130968
Clc1c(cc(SCC(=O)Nc2sc3CCCc3c2C#N)cc1)C(F)(F)F	PC-id_16514501	416.868	NZQFHRYGOXNMJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130969
Clc1c(N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)[nH+]cc(c1)C(F)(F)F	PC-id_9462228	416.868	ZDUALDRKEGIHGF-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-130970
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(c(Cl)c1)OC	ZINC22_2812080,CoCoCo_879495,PC-id_2174293,SPECS-id_AP-064/40657581,EMOLS-id_2190058,MCULE-7316327312	416.878	VWOHLOKNXGIQOJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-130971
c1(NC(=O)c2cc(on2)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-4067169948,CoCoCo_6310310,ZINC22_11917567,TIMTEC526291,PC-id_16455969,EMOLS-id_9875002	416.878	WKUCTCCNUGVHHS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130972
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCC2)c1C(=O)OC	MCULE-7712641174,ZINC22_656555,EMOLS-id_2197141,BindingDB_PC-id_1001041,SPECS-id_AK-968/41925910,BindingDB-id_83904,TIMTEC439701,CoCoCo_898692,PC-id_1001041,CHEMBL1452563,ChEMBL-DNDi_CHEMBL1452563	416.878	RYISEVBTXVQDOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130973
Clc1ccc(C(=O)CCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_8579629	416.878	NDGSGLITZUWSEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130974
c1(NC(=O)c2ccccc2Cl)c2CSCc2nn1CC(=O)NCc1ccco1	EMOLS-id_24913461,MCULE-1110069041,CoCoCo_5277719,PC-id_30862627,ZINC22_23139368	416.881	SXLSEIZKDHHZKM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130975
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccccc1Cl	PC-id_141251766	416.881	XYRJITZTGPOQRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130976
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)c1ccccc1Cl	SCHEMBL2920496,PC-id_68441298	416.881	HPJJVKSMMFZQCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130977
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68442946,SCHEMBL2924763	416.881	KAQMSLBKVUTTHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130978
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2914976,PC-id_68439420	416.881	CIBKMRDGQQFRMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130979
Clc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2918945,PC-id_68440768	416.881	FRCUNMQKELTUPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130980
Clc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2917089,PC-id_68440180	416.881	LNWXFMGRMFCIKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130981
Clc1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2917192,PC-id_68440231	416.881	VKLBTPGVGJYVCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130982
Clc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2919737,PC-id_68441047	416.881	VELUGZJNBWALIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130983
Clc1ccc(cc1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251716	416.881	YYPCVCJAKJMQLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130984
Clc1cccc(c1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251730	416.881	OKNWGCBADNVBSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130985
Clc1ccc(cc1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2914979,PC-id_68439422	416.881	DDJUZFWVSGYWIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130986
Clc1cccc(c1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2924764,PC-id_68442947	416.881	LRJDDSSOXWYURU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130987
Clc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc1	PC-id_44053277	416.881	DAWFMBKYJUEAKJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130988
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)ccc1	PC-id_44053276	416.881	UCBVBIXYMRXUHW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-130989
Clc1n(nc(c1C=NNC(=O)c1sc2CCCc2c1)C)Cc1ccc(F)cc1	PC-id_85015397	416.9	WPQKGFOFTKBMGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-130990
CC1CCc2nn(Cc3ccc(I)cc3)c(Br)c12	MCULE-4413095925,EMOLS-id_331015853	417.083	SUONJBAXQLHCQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131014
CN1CCCN(CC1)C(=O)c1nn(c2c1CN(C2)C(=O)Nc1ccccc1Cl)C	EMOLS-id_207863258	416.904	FIUZXPQSDBTNKE-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-130991
Clc1ccc(n2nnnc2SCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_16535768	416.908	NTNYIAHBMDOYSM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-130992
c1(c2CCCc2sc1NCc1ccc(C)o1)C(=O)Nc1c(OC)ccc(Cl)c1	MCULE-7257940350,CoCoCo_306054,BAS-03715687,PC-id_1166883,EMOLS-id_1439591,ZINC22_920880	416.921	ORFURELOPGAJIN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-130993
C1CC(CC(=O)C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20339100,PC-id_135187044	416.921	APVSOPYOOCWZEP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-130994
Clc1ccc(C(C(C)C)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_78449811	416.921	KXMCGOCLJORPHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130995
Clc1ccc([C@H](C(C)C)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7133263	416.921	KXMCGOCLJORPHJ-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-130996
Clc1ccc([C@@H](C(C)C)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7133264	416.921	KXMCGOCLJORPHJ-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130997
Clc1cc(NC(=O)CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)ccc1	PC-id_37131300	416.924	CAIKTMSOPCGTBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-130998
Clc1sc(S(=O)(=O)N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)cc1	PC-id_9156300	416.966	SZSDLHCYJIXBDL-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-130999
CC(N1CCn2c1c(I)c(n2)I)(C)C	SCHEMBL19454151	417.029	YXVLCLVYVFKWQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131000
Brc1c(C(=O)c2n3CCC(c3c(Cl)c2Cl)C(=O)OC)cccc1	SCHEMBL11010365,PC-id_20404979	417.081	XJVTWYKRIOWGEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131001
CC1=CC=C(S1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872035	417.082	NNXIOEGUNCEHHD-MRXNPFEDSA-N	00000010100100110001000010000000000000000000000000000000	25-01-131002
c12C(C)CCc1n(nc2Br)Cc1ccc(cc1)I	MCULE-3904572619,EMOLS-id_330972400	417.083	STOWMFBXFPJGGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131003
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)Br	MCULE-6049030247,EMOLS-id_330978042	417.083	WXISEYWMSLHCIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131004
CC1CCc2c1c(Br)nn2Cc1ccccc1I	MCULE-4226306186,EMOLS-id_330972912	417.083	KJYDNQMLORMJSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131005
CC1CCc2c1c(Br)nn2Cc1cccc(I)c1	MCULE-8078664612,EMOLS-id_330972656	417.083	GAUCZAQAUUXRRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131006
CC1CCc2c1c(I)nn2Cc1cccc(Br)c1	MCULE-7127565167,EMOLS-id_330979322	417.083	WBTHCRMKUULWEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131007
CC1CCc2c1c(I)nn2Cc1ccccc1Br	EMOLS-id_330981114,MCULE-4077630067	417.083	HKZIHBIWWNYHHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131008
CC1CCc2nn(Cc3ccc(Br)cc3)c(I)c12	MCULE-7247035729,EMOLS-id_330962102	417.083	QZGBUBGMCMHQBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131009
CC1CCc2nn(Cc3cccc(Br)c3)c(I)c12	EMOLS-id_330963382,MCULE-2383024471	417.083	HLKQXBKYVDTADQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131010
CC1CCc2nn(Cc3ccccc3Br)c(I)c12	MCULE-3502718918,EMOLS-id_330961079	417.083	NILIZGABWHCTKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131011
COCCN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=CC=C(S4)Cl)N)C=N1	PC-id_161997339	417.103	YRSSIRCKYSMWQJ-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-131015
COCCN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=CC=C(S4)Cl)N	PC-id_161009184	417.103	TWXGZHCNLNRXTG-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-131016
CCC#CCOC(=O)NC1CCC2=C(N(C=C12)C)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_149724798	417.126	AXXRQVYIZHRXJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131017
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872260	417.128	CDDMSJUHJUCCMK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131018
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C)CC(F)F	PC-id_164931971	417.128	SOMYBKAEFGYWID-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131019
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3OC	PC-id_164872121	417.136	JJLAAWHPSSXJTE-ZNZANGIRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131020
CCC(C1=CC=CC=C1)C(=O)N2CC3=CN(N=C3C2)SC4=CN(N=C4)CC(F)F	PC-id_164872188	417.143	YCIKNOBEYVKGFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131021
C1CN(CCC1F)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)O)C(=O)O	PC-id_153863608	417.145	JXPBSXIXYYKSCA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131022
C1C2=C(CN1C(=O)C3=C(C=C(C=C3O)O)NC4=CC=NN4CC5=CN=CC=C5)NN=C2	PC-id_155268642,CHEMBL4515425	417.155	UJWCCIZUZFWUOE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131023
Brc1cc(CNCc2sc3c(c2)CCC3)cc(c1O)Br	PC-id_107740702	417.159	XCDHCGUAJMADHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131024
CCNC(c1ncc(cc1Br)Br)c1sc2c(n1)CCC2	PC-id_104272617	417.162	QGFMZJRECVKPCM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131025
Brc1ccc(c(n1)NC(=O)N1Cc2c(C1)cnn2CC(F)F)[N+](=O)[O-]	PC-id_142402192	417.166	FOWTXDOJNRYTFL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131026
Brc1ccc(c(n1)NC(=O)N1Cc2c(C1)cn(n2)CC(F)F)[N+](=O)[O-]	PC-id_142402195	417.166	KSOUPGADBAXHJV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131027
c12CN(Cc1nn(CC(F)(F)F)c2I)C(=O)OC(C)(C)C	MCULE-7238942448,EMOLS-id_324343909	417.166	GLXVJXYWXNRMAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131028
C1C2=C(CN1C(=O)NCC3=CC=CC=C3)NN=C2C(CC(=O)C4=CC=CC=C4)C(=O)N	PC-id_153863804	417.18	MPWTXBQBYSUPLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131029
CC1=C(C(=CC=C1)C2CCN(CC2(F)F)C(=O)CC3CCC4=C3C(=NN4)C(=O)O)C	PC-id_153575371	417.186	UVWBUGNZGRWBBR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131030
CC1=C(C(=CC=C1)C2CCN(CC2(F)F)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)O)C	PC-id_150525375	417.186	ICRWPLNOASYEFH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131031
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CN=C(N=C3)N4CCN(CC4)C(C)(C)C	PC-id_149100978	417.212	QUPYSDDHCXPIIK-LJQANCHMSA-N	00000010100010100001100010000000000000000000000000000000	25-01-131032
CC[N+]1(Cc2c(C1)n(nn2)CCCS(=O)(=O)OC(C)OC1CCCCO1)CC	PC-id_163707682	417.217	KGMLZKYHPKISDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131033
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(c(Br)c2)C(F)(F)F)n1	EMOLS-id_330990841,MCULE-4748469268	417.22	ORNPYHWRNZKKNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131034
c1(C(=O)OC)c2C(C)CCc2n(Cc2ccc(cc2Br)C(F)(F)F)n1	EMOLS-id_330992376,MCULE-4126748601	417.22	PZRFGSVVTHZXHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131035
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)C(F)(F)F	EMOLS-id_330976692,MCULE-4052984612	417.22	VGRNMHJKWGTAQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131036
c1(C(=O)OC)c2C(C)CCc2nn1Cc1ccc(cc1Br)C(F)(F)F	MCULE-9282259236,EMOLS-id_330974132	417.22	BKHJBXMSWJRLSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131037
CC1=C2CCC(C2=NN1)C(=N)C(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CCCC5)C	PC-id_153404085	417.228	RLXRNRXFFWWXFQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-131038
CCCC(=C)N1CC2=C(C1)N=C(N2)C(=N)C3=C(C=C(C=C3)C4=C(C=CC(=C4)F)CC)N	PC-id_154689179	417.233	PTCJQGKRKVYQFO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131039
CC(CNS(=O)(=O)C)c1nn2c(n1)C(=Nc1cc(c(c(c1)Cl)O)Cl)C=N2	PC-id_136089216	417.27	GYFWPBANXLAAJF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-131040
c12CN(Cc1nn(CC1CCCC1)c2I)C(=O)OC(C)(C)C	EMOLS-id_324342629,MCULE-4542598883	417.285	UDJMZYOVCVPFGB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131041
CCCCCN1CCC(CC1)C(=O)N2CC3=C(C2(C)C)NN=C3NC(=O)CC(C)C	PC-id_164926338	417.31	KCEYHALJIPLOJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131042
Cn1nc2c(c1N=C(O)Cc1csc(c3cccc(Br)c3)n1)CCC2	MCULE-3368931720,ZINC22_328589272,EMOLS-id_75990206	417.323	DMCOCAWCHDLUSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131043
s1c(NC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)c(c2c1C=CC2)C(=O)N	PC-id_22295411	417.327	BVHASCAJJBLGFV-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-131044
c1(NC(=S)Nc2cc(Cl)c(c(Cl)c2)O)sc2c(CCC2)c1C(=O)OC	PC-id_17255562,CoCoCo_6823075,ZINC22_17090996,MCULE-3912101301,EMOLS-id_4098761,TIMTEC251708	417.33	JWMRMYMVPTWAJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131045
FC1CN(CC1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19609570	417.333	SCSPCVNRUCXYGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131046
F[C@H]1CCN(C1)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19584187	417.333	PIDMIJCLJINAIH-VUWPPUDQSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131047
F[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19583635	417.333	SCSPCVNRUCXYGY-FOSCPWQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131048
O=C(C1CCc2n1c(=O)n(n2)Cc1ccc(nc1)C(F)(F)F)N1CCC(C1)(F)F	SCHEMBL19584034	417.333	IBIJBCWZPAWZMA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131049
O=C(NCCc1nnc2n1CCC2)C1(c2ccc(Br)cc2)CCCCC1	EMOLS-id_44543580,ZINC22_65011247,PC-id_71888456,MCULE-8976023722	417.343	RPNONYBVJPKULX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131050
CCNC(=NCc1nnc2n1CCC2)NCC1(CC1)c1cccc(c1)Br	PC-id_111572817	417.346	IUTBNRKFMANEPG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-131051
CCNC(=NCc1nnc2n1CCC2)NCC1(CC1)c1ccccc1Br	PC-id_111649752	417.346	SHQXCCOTYDABSK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-131052
c1(NC(=O)c2cccc(c2)OC(F)(F)C(F)F)sc2c(CCC2)c1C(=O)OC	ZINC22_673308,CoCoCo_5824518,MCULE-9786317365,PC-id_1012383,EMOLS-id_5125174,TIMTEC71900,SPECS-id_AK-968/15254483	417.375	BDZXRISHPZRZCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131053
CCOC(=O)c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F	PC-id_24748574,SCHEMBL2162158	417.375	RWMWCJBVOVYAJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131054
Fc1ccc(c(c1)F)c1ccc(c(n1)NC(=O)N1Cc2c(C1)nc(s2)C)[N+](=O)[O-]	PC-id_142527807	417.389	BKTDZHNQXSDPIO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-131055
Cc1ccc(cc1)S(=O)(=O)n1c2c(CC(=O)C2)c(n1)C(=O)On1c(ccc1O)O	PC-id_137129705	417.393	QPQMKEZRNNOVNL-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-131056
O=C1Cc2c(C1)n(nc2C(=O)ON1C(=O)CCC1=O)S(=O)(=O)c1ccc(cc1)C	PC-id_58713642,SCHEMBL5520037	417.393	LTXTYRLXYXNOID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131057
S1Cc2c(nn(c2NC(=O)c2oc([N+](=O)[O-])cc2)CC(=O)NCc2occc2)C1	PC-id_44053239	417.396	OIUURPVHDABLMR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-131058
c12c(CCC1C(=O)Nc1ccc(c(F)c1)F)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947267,MCULE-7198547692,EMOLS-id_12346595	417.404	GAISPLLQSBHSBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131059
Cc1ccc(OCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324866054	417.404	LQSLJULRFORJMJ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131060
Cc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324869637	417.404	YASSRVIRDBLKQC-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131061
FC(F)(F)c1ccccc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324847869	417.404	ZSGHJGHPMSCIBK-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131062
FC(F)(F)c1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324847357	417.404	LSYYIDQPENRNQR-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131063
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCOc1ccccc1	MCULE-7959248469	417.404	ZSGHJGHPMSCIBK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131064
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCOc1ccccc1	MCULE-9703002431	417.404	LSYYIDQPENRNQR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131065
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1ccc(cc1)C	MCULE-1346592329	417.404	LQSLJULRFORJMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131066
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1ccc(cc1)C	MCULE-5096214018	417.404	YASSRVIRDBLKQC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131067
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1	CoCoCo_5124779,ZINC22_9131624,PC-id_40945555	417.404	GAISPLLQSBHSBC-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131068
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1	ZINC22_9131623,PC-id_40945554,CoCoCo_5124778	417.404	GAISPLLQSBHSBC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131069
O=C(Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCC2)c1cncnc1	ZINC22_544848464	417.404	DJWXTCZTWZVSAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131070
C[S+](=O)(NCc1nnc2n1C(CC2)C(=O)NCc1cc(ccc1)C(F)(F)F)[O-]	PC-id_134800516	417.406	SYUIRDYKCODJNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131071
O1C([C@H](O)[C@H](O)C(O)[C@H]1O)COC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL12270069,PC-id_58413708	417.409	HXAXVRZRGDBUHC-GHMFZICVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131072
O1C([C@H](O)C(O)C(O)[C@H]1O)COC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL12318118,PC-id_68239150	417.409	HXAXVRZRGDBUHC-DKWLXZAUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131073
O1C(C(O)C(O)C(O)C1O)COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_74936500	417.409	HXAXVRZRGDBUHC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131074
O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)C1O)COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_44815857	417.409	HXAXVRZRGDBUHC-MUOWRIJJSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131075
O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H]1O)COC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	GD-id_ZINC40954359,PC-id_44241719	417.409	HXAXVRZRGDBUHC-SKQGCUQFSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131076
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O	CHEMBL496049,PC-id_44157522	417.409	HXAXVRZRGDBUHC-XNGCDEARSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131077
O[C@H]1OC(COC(=O)[C@H]2CCn3c2ccc3C(=O)c2ccccc2)[C@@H](C([C@@H]1O)O)O	PC-id_118630595,SCHEMBL17400748	417.409	HXAXVRZRGDBUHC-MTARPCONSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131078
COc1cc(OC)ccc1CN1CCN(C1=O)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5535230,PC-id_23081551	417.416	CJXIVYZEOQSUSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131079
O1C(CN2CCN(CC2)C(=O)OCc2ccc(O)cc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081386,SCHEMBL5539511	417.416	QUKREHHURPWNQZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131080
COc1ccc(C(=O)/C=c/c(CC(=O)c3ccc(OC)cc3)nc3nnc(N)n23)cc1	NSC382728,LI_194207,ZINC22_31772522	417.417	RZNGMOUAGYBOAI-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131081
COc1ccc(C(=O)/C=c/2c(CC(=O)c3ccc(OC)cc3)nc3nnc(N)n23)cc1	ZINC22_31772524,CoCoCo_5636561,CoCoCo_5636562,PC-id_92857418	417.417	RZNGMOUAGYBOAI-LDADJPATSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131082
O=C(Cc1nc2n(c1=CC(=O)c1ccc(OC)cc1)c(nn2)N)c1ccc(OC)cc1	PC-id_343314	417.417	RZNGMOUAGYBOAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131083
O=C(N1Cc2c(C1)c(n[nH]2)NC(=O)c1ccc(cc1)C(=O)C)NC(=O)c1ccccc1	SCHEMBL2918730,PC-id_68440705	417.417	ZLZBJGFHUAXDDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131084
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1C(=O)C)NC(=O)c1ccccc1	PC-id_68440613,SCHEMBL2918445	417.417	TZMTVMJCAHKECY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131085
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C#N	PC-id_4955475	417.419	JGKKKGCWNZBQCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131086
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1ccc(cc1)C(F)(F)F	PC-id_92109518	417.424	DTWFXVVIMNSADV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131087
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1cccc(c1)C(F)(F)F	PC-id_92109519	417.424	ICGHGEAIVNAMJS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131088
Cc1ccc(C(=O)c2c(NS(=O)(=O)c3ccc(F)c(F)c3)nc3n2CCC3)cc1	PC-id_86792163,MCULE-3466479357,ZINC22_170595636,EMOLS-id_49940264	417.429	WLZAMLSFRXRPHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131089
s1c2CCCc2cc1C(=O)NNC(=O)CCc1oc(c2c(F)cccc2F)cn1	PC-id_43039951	417.429	SZVOHBHYRURDJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131090
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC	PC-id_3876819	417.432	XVQRYWOGQSEIKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131091
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(ccc(c1)C(=O)OC)C(=O)OC	PC-id_7238931	417.432	YHOSGGFVSKCVGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131092
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_7296439	417.432	BRLMOOAGPKLWNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131093
C/C(=NNC(=O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)/c1c(cc(cc1)O)O	PC-id_135554254	417.436	BKINLCAZZNVVDN-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131094
COc1c(ccc(c1)/C=N/NC(=O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)O	PC-id_135615368	417.436	VSJDFCNGFWBYCB-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131095
COc1cccc(c1O)/C=N/NC(=O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC	PC-id_135717390	417.436	PPGKAJOVMQSQAE-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131096
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(cccc1[N+](=O)[O-])C)C)C(=O)N	PC-id_33355790	417.436	QISFGNIBXBLING-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131097
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(cccc1[N+](=O)[O-])C)C)C(=O)N	PC-id_33355796	417.436	QISFGNIBXBLING-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-131098
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(cc1)C)C)C(=O)N	PC-id_8887249	417.436	TYQXWEVAVJBQEQ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-131099
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])c(cc1)C)C)C(=O)N	PC-id_8887253	417.436	TYQXWEVAVJBQEQ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131100
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(cccc1[N+](=O)[O-])C)C)C(=O)N	PC-id_74632901	417.436	QISFGNIBXBLING-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131101
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc([N+](=O)[O-])c(cc1)C)C)C(=O)N	PC-id_84864765	417.436	TYQXWEVAVJBQEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131102
s1c2c(CCC2)c(c1NC(=O)CO/N=C/c1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_16959241	417.436	LHDQFQMFUBAXRO-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-131103
s1c2c(CCC2)c(c1NC(=O)CON=Cc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_73341153	417.436	LHDQFQMFUBAXRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131104
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C(=C
/C(=CC(=O)C=C1)O)/C)C(=O)OC	PC-id_19660420	417.436	PXTOMNXTRKMPRG-PKNBQFBNSA-N	00000010100011000000000010000000000000000000000000000000	25-01-131105
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C1C(=CC(=O)C=C1)O)C)C(=O)OC	PC-id_73634877	417.436	PXTOMNXTRKMPRG-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-131106
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC=C1C=C(OC)C(=O)C=C1)C(=O)OC	PC-id_6816457	417.436	KVRLZSBGLMOXMR-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-131107
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC=C1C(=O)C(=CC=C1)OC)C(=O)OC	PC-id_6797747	417.436	FVFMKPIVWQOKLH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-131108
c1(NC(=O)COc2nonc2CC(=O)N2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_333692198,MCULE-3515604122	417.439	GIIILZPYDDLNGA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131109
c1(NC(=O)COc2nonc2C(=O)N2CCC(CC2)O)sc2CCCc2c1C#N	EMOLS-id_333662411,MCULE-8757098728	417.439	AUTWDOXZQYBXEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131110
c1(NC(=O)COc2nonc2C(=O)NCC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_333715515,MCULE-8749371864	417.439	YCFUCWBYOVEYHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131111
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(F)cc1)C(=O)OCC	PC-id_7767066	417.451	ZAHFHXACTNMVGR-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131112
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(F)cc1)C(=O)OCC	PC-id_78538599	417.451	ZAHFHXACTNMVGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131113
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(c(c1)F)F	CHEMBL603478,BindingDB_PC-id_46228561,PC-id_46228561	417.452	UOSAKCKTUUCAQF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131114
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(F)cc(c1)F	BindingDB_PC-id_46228562,PC-id_46228562,CHEMBL603887	417.452	RSCVJZXCKTYHOT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131115
Fc1cc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(CC2)C)(C)C)cc(F)c1	PC-id_9979360	417.452	FXWXRPJUDUPYEM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131116
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(F)cc1)C)C(=O)OCC	PC-id_4524869	417.454	ATPYQNIBAVFGDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131117
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(F)cc1)C)C(=O)OCC	PC-id_9675555	417.454	ATPYQNIBAVFGDM-FOKLQQMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131118
C=Cc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1(F)CCN(CC1)C)F	SCHEMBL3326821,PC-id_59334016	417.456	MSJGXXQNXRQPDR-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-131119
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1c(OC)ccc(OC)c1	PC-id_27525407	417.456	WYEQIVXATGPXKH-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-131120
s1c2CCCc2c(c1NC(=O)C(=O)NCCc1cc(OC)c(OC)cc1)C(=O)[O-]	PC-id_8069357	417.456	RAQYNXBWQMHGLW-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-131121
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)NCC(=O)O	EMOLS-id_328220541,MCULE-4415237545	417.457	MANKSCACSLEBEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131122
O=C(Nc1c(C(=O)NC(Cc2ccccc2)C(=O)O)cccc1)c1[nH]c2CCCc2c1	PC-id_11362067	417.457	GINFWWRKFBLMEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131123
O=C(N1Cc2c([nH]nc2NC(=O)CCC(=O)c2ccccc2)C1)NCc1ccccc1	PC-id_68442594,SCHEMBL2923885	417.46	UKRKCXCKZVUJQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131124
FC(Sc1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)F	PC-id_92109507	417.472	AJIROCFAJLEQHR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131125
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(cc1)OC)C(=O)OC	PC-id_19221052,MCULE-5564100789	417.475	YHWLELVNGBPWHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131126
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccccc1)C(=O)OC	PC-id_2789925,MCULE-8991664241,BAS-01833642,EMOLS-id_1347239,STOCK2S-59587	417.475	IESFIMIVGQUMSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131127
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1C)C)C(=O)OC	MCULE-2099011841,ChEMBL-DNDi_CHEMBL6162596,CK1436123,EMOLS-id_1861711,SCHEMBL8288734,PC-id_2789932,STOCK2S-61250,Chemmine_26058	417.475	GFWXXFZDGVYRCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131128
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccccc1CC)C(=O)OC	PC-id_19175474,MCULE-5768006574	417.475	VWQPBBYGNZCVCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131129
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(c(C)c1)C)C(=O)OC	EMOLS-id_1439805,PC-id_2789204,TIMTEC21706,BAS-03752707,SPECS-id_AE-641/40793412,MCULE-8926522014,STOCK2S-57496	417.475	AAGHVUIKWXFKKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131130
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1c(C)cccc1C)C(=O)OC	PC-id_19171163,MCULE-4024084653	417.475	JQGAXHBSANMEFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131131
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cc(C)ccc1C)C(=O)OC	STOCK2S-60986,PC-id_2787787,MCULE-2251750210,EMOLS-id_1132996	417.475	YYNROLQOKYVUAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131132
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cccc(C)c1C)C(=O)OC	STOCK2S-63342,MCULE-6156740457,SPECS-id_AT-225/NB59973,PC-id_2789992,EMOLS-id_603663,TIMTEC204872	417.475	HWQVLHKINUBUBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131133
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cccc(CC)c1)C(=O)OC	MCULE-5233301235,PC-id_19177264	417.475	FXRZLKUZCMDAEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131134
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cc(C)cc(C)c1)C(=O)OC	PC-id_2789275,STOCK2S-56528,EMOLS-id_1859361,MCULE-8739464222	417.475	NBLABCGSBQVZSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131135
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	PC-id_4117961,MCULE-4092164851	417.475	DRVRLCHOTGMUKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131136
CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2OCC)sc2c1CCC2	PC-id_8606115,EMOLS-id_11865864,CoCoCo_2925620,MCULE-6194209888,ZINC22_7508109	417.475	JHZZCYLMZRBQPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131137
COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)sc2c1CCC2	ZINC22_408562543	417.475	AHYMWVWTCRMKPX-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131138
COC(=O)c1c(NC(=O)CCCOc2ccccc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_211430,ZINC22_1779473,PC-id_1570040	417.475	IESFIMIVGQUMSF-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131139
COC(=O)c1c(NC(=O)CCCOc2ccccc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_4039896,PC-id_6561187,CoCoCo_211431	417.475	IESFIMIVGQUMSF-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131140
COC(=O)c1c(NC(=O)COc2cc(C)ccc2C)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_5794269,ZINC22_1748196,PC-id_1555221	417.475	YYNROLQOKYVUAA-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131141
COC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_749462,PC-id_978562,ZINC22_622410	417.475	HWQVLHKINUBUBN-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131142
COC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_749463,ZINC22_622408,PC-id_978561	417.475	HWQVLHKINUBUBN-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131143
COC(=O)c1c(NC(=O)COc2cc(C)ccc2C)sc2c1[C@H](C(=O)OC)CC2	PC-id_1555220,CoCoCo_5794270,ZINC22_1748195	417.475	YYNROLQOKYVUAA-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131144
COC(=O)c1c(NC(=O)COc2ccc(C)cc2C)sc2c1[C@H](C(=O)OC)CC2	PC-id_1570100,ZINC22_1779520,CoCoCo_749261	417.475	GFWXXFZDGVYRCP-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131145
COC(=O)c1c(NC(=O)COc2ccc(C)cc2C)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_945344,CoCoCo_749262,PC-id_1184741	417.475	GFWXXFZDGVYRCP-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131146
COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_1708522,PC-id_1051253,ZINC22_729949	417.475	NBLABCGSBQVZSZ-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131147
COC(=O)c1c(NC(=O)COc2ccc(C)c(C)c2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1167042,CoCoCo_306216,ZINC22_921074	417.475	AAGHVUIKWXFKKL-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131148
COC(=O)c1c(NC(=O)COc2ccc(C)c(C)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_1747477,CoCoCo_306215,PC-id_1554829	417.475	AAGHVUIKWXFKKL-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131149
COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_729948,PC-id_1051252,CoCoCo_1708523	417.475	NBLABCGSBQVZSZ-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131150
COC(=O)c1c(NC(=O)COC(=O)CCc2ccc(OC)cc2)sc2c1CCC2	ZINC22_5102208,PC-id_3555783,CoCoCo_3130769,EMOLS-id_3270666,MCULE-3376715813	417.475	HEWUDPCERUMBBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131151
Fc1cc(C(=O)C2CCCN(C2)C(=O)c2n[nH]c3c2CCC3)ccc1c1ccccc1	PC-id_45232717	417.475	XRJAXKPAHUNPKX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131152
Fc1cc(C(=O)[C@@H]2CCCN(C2)C(=O)c2n[nH]c3c2CCC3)ccc1c1ccccc1	CoCoCo_1520836,PC-id_42520200,CoCoCo_1520838	417.475	XRJAXKPAHUNPKX-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131153
Fc1cc(C(=O)[C@H]2CCCN(C2)C(=O)c2n[nH]c3c2CCC3)ccc1c1ccccc1	CoCoCo_1520839,CoCoCo_1520837,PC-id_42520203	417.475	XRJAXKPAHUNPKX-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131154
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_1655956	417.475	DRVRLCHOTGMUKX-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131155
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)CC(=O)OC)C(=O)OCC	PC-id_7695266	417.475	NUWNIVICTKLGCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131156
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C(=O)C)C(=O)OCC	PC-id_8308182	417.475	CTZNTTJZYGZTBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131157
s1c2c(CCC2)c(c1NC(=O)COc1c(OCC)cc(cc1)C=O)C(=O)OCC	PC-id_8009485	417.475	GDLGPJWTHFRORY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131158
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)COC)C(=O)OCC	PC-id_7587723	417.475	YNRHMLPYYMZRHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131159
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(ccc1OC)C)C(=O)OCC	PC-id_8213230	417.475	RGHZVMYUTGZECI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131160
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(COC)ccc1)C(=O)OCC	PC-id_9064887	417.475	TUQYJELJSAULSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131161
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OC(C)C)cc1)C(=O)OC	PC-id_16502921	417.475	MRKFTBDRISGHOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131162
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(OC)cc1)C(=O)OCC	PC-id_7705050	417.475	PZMXNNMHCYMKAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131163
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(OC)ccc1)C(=O)OCC	PC-id_7834152	417.475	VKRJPJMNBIZWFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131164
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(OC)cccc1)C(=O)OCC	PC-id_8176304	417.475	NQDLBMWHVPSSIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131165
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCOc1ccccc1)C(=O)OC	PC-id_45611157	417.475	IUYLCOGUDKCXAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131166
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1cc(ccc1)C)C(=O)OC	PC-id_29155206	417.475	MLALLPNSXTXKMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131167
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1ccccc1)C(=O)OCC	PC-id_9139778	417.475	FDKSYTUTVYYOLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131168
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](Oc1ccccc1)C)C(=O)OCC	PC-id_8790556	417.475	CZBPAFXRGKPINY-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131169
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](Oc1ccccc1)C)C(=O)OCC	PC-id_8790561	417.475	CZBPAFXRGKPINY-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131170
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(c(cc1)C)C)C(=O)OC	PC-id_35687540	417.475	OQUBBCNCHVJROI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131171
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(cc(c1)C)C)C(=O)OC	PC-id_45704253	417.475	FQGQDZLLNZUYPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131172
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(Oc1ccccc1)C)C(=O)OCC	PC-id_55315369	417.475	CZBPAFXRGKPINY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131173
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(cccc1)C)C(=O)OCC	PC-id_7767680	417.475	HHRRJGIFSQDOSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131174
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(ccc1)C)C(=O)OCC	PC-id_8910227	417.475	JVOVFJZLCLJENJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131175
Fc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1nc2CCCc2s1	PC-id_16822804,MCULE-2521365234,CoCoCo_5152977,EMOLS-id_4982847,ZINC22_9714790	417.477	AMKNPVAVQHMTDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131176
N#CC(c1ccc(cc1)OCc1cccc(c1)C[NH+]1Cc2c(C1)coc2)CC1OC1O	PC-id_144875307	417.477	CIRWXOMMOBFVID-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-131177
O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1	EMOLS-id_24100814,ZINC22_12972307,PC-id_25637867,CoCoCo_4626363,MCULE-7392046793	417.477	VVVJRXLBBXCUKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131178
O=C(NNC(=O)c1cc2c(s1)CCC2)c1csc(COc2ccc(F)cc2)n1	MCULE-5811409144,EMOLS-id_24142626,PC-id_25670023,CHEMBL4566808,CoCoCo_4695947	417.477	NKUKPHUHFJJBHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131179
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386716,MCULE-1750294360	417.479	DFVUAVHTEBYZRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131180
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390546,MCULE-7732064863	417.479	KXEZUBUJWICDHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131181
c1(NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2918202189,EMOLS-id_334389021	417.479	CVLBTIMOOOUTKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131182
c1(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)sc2c(CCC2)c1C(=O)OC	PC-id_6467236,CoCoCo_1047556,TIMTEC108746,EMOLS-id_2546270,ZINC22_35800913,MCULE-7034123211	417.479	CSYQHGPZMGQSRM-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-131183
c1(NC(=O)COc2cn(c(cc2=O)C)CCOCCO)sc2CCCc2c1C#N	MCULE-5687005730,EMOLS-id_331631812	417.479	MLVDNNFTIGDBLH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-131184
c1(NC(=O)C(=O)NCCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)N	ZINC22_6661211,PC-id_8029598,MCULE-3388225215,STOCK6S-05874,EMOLS-id_4733451	417.479	LQHDUKRUHVYZJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131185
c1(NC(=O)NN=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-5203134526,PC-id_19168825	417.479	OTGZTSKZBRDKJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131186
c1(NC(=O)NN=Cc2cccc(OC)c2OC)sc2c(CCC2)c1C(=O)OCC	MCULE-8147645540,PC-id_19168827	417.479	VNRHTGVZIUUCLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131187
c1(NC(=O)NN=Cc2ccc(c(OCC)c2)O)sc2c(CCC2)c1C(=O)OCC	MCULE-2179894747	417.479	ZQVDTWIQUMTBJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131188
c1(NC(=O)NN=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)OCC	MCULE-2849167258,PC-id_19168824	417.479	JJQAEWRPJLZTDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131189
C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_8254451,CoCoCo_4173767,ZINC22_7132205	417.479	HZIGRICBFFGECI-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131190
C[C@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_7132204,PC-id_8254450,CoCoCo_4173766	417.479	HZIGRICBFFGECI-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-131191
CCOc1c(ccc(c1)/C=N/NC(=O)Nc1c(c2c(s1)CCC2)C(=O)OCC)O	PC-id_135604117	417.479	ZQVDTWIQUMTBJY-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131192
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(nc1)OC1CCOCC1	PC-id_92084656	417.479	ISHJSLBGOFGJEX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-131193
COc1cc(cc(OC)c1OC)N1CC(CC1=O)C(=O)Nc1nc2CCCc2s1	MCULE-7449987199,PC-id_42951655,EMOLS-id_24101764	417.479	HGJZGVKTHJVUQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131194
COc1cc(N2C[C@@H](C(=O)Nc3nc4c(s3)CCC4)CC2=O)cc(OC)c1OC	CoCoCo_4758936,PC-id_25630036,ZINC22_12952616	417.479	HGJZGVKTHJVUQL-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-131195
COc1cc(N2C[C@H](C(=O)Nc3nc4c(s3)CCC4)CC2=O)cc(OC)c1OC	ZINC22_12952620,PC-id_25630038,CoCoCo_4758935	417.479	HGJZGVKTHJVUQL-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131196
OCC1CC1C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)N)C	SCHEMBL18498453	417.479	YPXCGFZHQGAPLB-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-131197
OCCNc1ccccc1C(=O)OC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-3453249612,PC-id_24496517,EMOLS-id_19698068	417.479	HZIGRICBFFGECI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131198
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1[nH]c(c(c1C)C(=O)C)C)C)C(=O)N	PC-id_8253469	417.479	FQRGUZDIJCHMJO-NSHDSACASA-N	00000010110000000000000010000000000000000000000000000000	25-01-131199
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1[nH]c(c(c1C)C(=O)C)C)C)C(=O)N	PC-id_8253475	417.479	FQRGUZDIJCHMJO-LLVKDONJSA-N	00000010110000000000000010000000000000000000000000000000	25-01-131200
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1[nH]c(c(c1C)C(=O)C)C)C)C(=O)N	PC-id_78643725	417.479	FQRGUZDIJCHMJO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-131201
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(n(nc1C)C)C)C(=O)OC	PC-id_41496657	417.479	NOSYUFSPXBWGCB-CMDGGOBGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131202
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(n(nc1C)C)C)C(=O)OC	PC-id_74761153	417.479	NOSYUFSPXBWGCB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131203
s1c2c(CCC2)c(c1NC(=O)NN/C=C/1C=C(OCC)C(=O)C=C1)C(=O)OCC	PC-id_19168830	417.479	FCYPNEFFFYAAON-QXMHVHEDSA-N	00000010100011000000000010000000000000000000000000000000	25-01-131204
s1c2c(CCC2)c(c1NC(=O)NNC=C1C=C(OCC)C(=O)C=C1)C(=O)OCC	PC-id_73549961	417.479	FCYPNEFFFYAAON-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-131205
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-4340128860,EMOLS-id_323178532	417.48	UQJYOMOSKVVCET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131206
c1(NC(=O)COc2ccc(cc2)NC(=O)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-7721517736,EMOLS-id_323171796	417.48	QSQPORGNXUSCTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131207
C=CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_45970108,ZINC22_27021558	417.48	XGKKXJJCKQXPFK-HKNOJCFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131208
C=CCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	ZINC22_16807425	417.48	XGKKXJJCKQXPFK-AEBQRUBISA-N	00000000100000110001000010000000000000000000000000000000	25-01-131209
COc1ccc(/C=C/c2nc3s/c(=CC=Cc4ccccc4)/c(=O)n3n2)cc1OC	ZINC22_16742277,EMOLS-id_45965767	417.48	CUILIURYYCTODO-JDOJHWKGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131210
n12nc(nc1sc(=Cc1ccccc1OCC=C)c2=O)C=Cc1ccc(cc1)OC	MCULE-3479949625	417.48	YOZYXCVACSZBRA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131211
n12nc(nc1sc(=Cc1ccc(cc1)OCC=C)c2=O)C=Cc1ccc(cc1)OC	MCULE-8518281598	417.48	AZQHNPWOXFTDGI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131212
n12nc(nc1sc(=Cc1cc(C)c(c(C)c1)OC(=O)C)c2=O)C=Cc1ccccc1	MCULE-1377173534	417.48	CGXYHWPOWHYMAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131213
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC=C)c2=O)C=Cc1ccccc1	MCULE-9440871695	417.48	XGKKXJJCKQXPFK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131214
n12nc(nc1sc(=CC=Cc1ccccc1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4209700466	417.48	CUILIURYYCTODO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131215
n12nc(nc1sc(=CC=Cc1ccccc1OC)c2=O)C=Cc1ccc(cc1)OC	MCULE-5210771743	417.48	QKDMSSDUZFYZHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131216
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nncn1c1ccccc1F	CoCoCo_3097991,EMOLS-id_11756162,PC-id_16322654,MCULE-8069127791	417.48	PXHVSZZTEYCIBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131217
s1c2c(CCC2)c(c1NC(=O)COc1ccc(c2ccc(cc2)C#N)cc1)C(=O)N	PC-id_38902060	417.48	BPXXGXUNSNZTQI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-131218
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1c(F)cccc1)C(=O)N	PC-id_41237144	417.48	PZVMMBOGDANDRT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131219
c1(NC(=O)COc2nonc2CC(=O)NCCCCC)sc2CCCc2c1C#N	EMOLS-id_333688400,MCULE-8255323046	417.482	WFFNRMZDLNODPX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131220
c1(NC(=O)COc2nonc2CC(=O)N(C)CCCC)sc2CCCc2c1C#N	EMOLS-id_333689896,MCULE-3645284989	417.482	FEGFSOYIDHZFHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131221
c1(NC(=O)COc2nonc2C(=O)N(CCCC)CC)sc2CCCc2c1C#N	EMOLS-id_333660874,MCULE-5180698559	417.482	BACBPRVNNUGISO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131222
c1(NC(=O)COc2nonc2C(=O)N(CCC)CCC)sc2CCCc2c1C#N	MCULE-2059095048,EMOLS-id_333660363	417.482	QTOKVTUHKICOKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131223
c1(NC(=O)COc2nonc2C(=O)NCCCCCC)sc2CCCc2c1C#N	MCULE-8147004113,EMOLS-id_333713726	417.482	WMYQVZYCZBEPOM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131224
CCOC(=O)c1c(NC(=O)C(=O)NC(c2nnc3n2CCC3)C)sc2c1CCC2	PC-id_75400209,EMOLS-id_48318560,MCULE-4828900970	417.482	PHGLRBZHHLIDMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131225
CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCC3)sc2c1CCC2	PC-id_97257590,ZINC22_95461167	417.482	PHGLRBZHHLIDMT-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-131226
CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCC3)sc2c1CCC2	ZINC22_95461168,PC-id_97257591	417.482	PHGLRBZHHLIDMT-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131227
s1c2c(CCC2)c(c1Nc1nc(N2CCC(CC2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127491	417.485	DGAZQZDFENTBEU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-131228
s1c2c(CCC2)c(c1Nc1nc(N2CC(CCC2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787945	417.485	IVQQOYIOUWMLIB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-131229
s1c2c(CCC2)c(c1Nc1nc(N2CCCCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127505	417.485	WWNAAAKMMQOBRS-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-131230
s1c2c(CCC2)c(c1Nc1nc(N2C[C@@H](CCC2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127506	417.485	IVQQOYIOUWMLIB-SECBINFHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-131231
s1c2c(CCC2)c(c1Nc1nc(N2C[C@H](CCC2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127507	417.485	IVQQOYIOUWMLIB-VIFPVBQESA-N	00000010100010100001100010000000000000000000000000000000	25-01-131232
s1c2c(CCC2)c(c1Nc1nc(NC2CCCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127494	417.485	WCNNRJWTDYMYLE-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-131233
n12ncnc1sc(=CNc1nnc(SCC(=O)Nc3ccccc3)s1)c2=O	MCULE-1708444463	417.489	IBQGSPLZIOWIMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131234
O=C(CSc1nnc(N/C=c/2sc3ncnn3c2=O)s1)Nc1ccccc1	PC-id_117588283,ZINC22_256055474	417.489	IBQGSPLZIOWIMJ-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-131235
c1(NC(=O)CN2CCC(CC2)Oc2ccccc2F)sc2c(CCC2)c1C(=O)N	MCULE-1654081880,CoCoCo_498077,CoCoCo_498076,PC-id_46972399,EMOLS-id_30440607,ZINC22_19350144,SYN-20066027	417.497	XPVDQEVKYLIGGL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131236
c1(NC(=O)CN2CCC(CC2)Oc2cccc(F)c2)sc2c(CCC2)c1C(=O)N	CoCoCo_496508,SYN-20044307,CoCoCo_496509,MCULE-1153074891,EMOLS-id_30438943,PC-id_46971441,ZINC22_19294221	417.497	GHANLVTUBZGUIH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131237
CCCCc1ccc(cc1)COc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_139746949	417.497	ZMYGEQCLHMZJCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131238
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(F)cc1)C(=O)OC	PC-id_22198394	417.497	NGLLXZNNMXLNIG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131239
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(F)cccc1)C(=O)OC	PC-id_22199090	417.497	YJYCAUBJTMKFBV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131240
s1c2c(CCC2)c(c1NC(=O)C(N1CC(OCC1)c1ccc(F)cc1)C)C(=O)N	PC-id_46571273	417.497	UMVCCILPFSLAOA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131241
CCC(c1ccc(cc1F)F)N1CCN(CC1)C(=NC)NCc1nnc2n1CCC2	PC-id_109545018	417.499	DRXMPIFPJKAOGE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131242
S1(=O)(=O)C[C@@H](N(c2ccccc2)C(=O)COC(=O)c2sc3CCCc3c2)C=C1	PC-id_7623589	417.499	MUFDCFYUOGBQNN-INIZCTEOSA-N	00000011100000110000000010000000000000000000000000000000	25-01-131243
S1(=O)(=O)C[C@H](N(c2ccccc2)C(=O)COC(=O)c2sc3CCCc3c2)C=C1	PC-id_7623592	417.499	MUFDCFYUOGBQNN-MRXNPFEDSA-N	00000011100000110000000010000000000000000000000000000000	25-01-131244
S1(=O)(=O)CC(N(c2ccccc2)C(=O)COC(=O)c2sc3CCCc3c2)C=C1	PC-id_45637913	417.499	MUFDCFYUOGBQNN-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-131245
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)F)n(C)nc2CSCc12	MCULE-5808499885,ZINC22_604419574,EMOLS-id_188945705,STOCK7S-67990	417.5	LTBKAIUVLJWDQH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131246
c
(=N/C(=O)C(C)NC(=O)N2CCN(CC2)c2ccc(cc2)F)/sc2c(CCC2)[nH]1	MCULE-5369747298,PC-id_53370719,EMOLS-id_46561612	417.5	LZKOCAMUUKNLCR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131247
c1(sc2c(CCC2)n1)NC(=O)[C@H](C)NC(=O)N1CCN(CC1)c1ccc(cc1)F	ZINC22_71279390,MCULE-9452163452,STOCK7S-17303,EMOLS-id_36505575,PC-id_56698851	417.5	LZKOCAMUUKNLCR-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131248
C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1nc2c(s1)CCC2	PC-id_95395629,ZINC22_71334956	417.5	LZKOCAMUUKNLCR-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131249
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2c(CCC2)c1C#N	EMOLS-id_1398761,BAS-02782824,MCULE-7661429259,ZINC22_944846,CoCoCo_261978,PC-id_1184391	417.502	PAJDJBSHKRBIAQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131250
c1(NC(=O)C(=O)NN=Cc2ccc(cc2)SC)sc2c(CCC2)c1C(=O)OC	MCULE-6704982620,PC-id_2003180	417.502	LKFJZTNIECVQQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131251
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_320678760,MCULE-5159779576	417.502	VIYMUILJBWKXPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131252
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)Nc1ccc(OC)cc1	MCULE-7977191318,EMOLS-id_186573690	417.502	BASBLURSLVXLEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131253
Cc1[nH]o/c(=N/S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)/c1C	CoCoCo_3926166,ZINC22_14169230	417.502	XSZRZMCWBQFPDK-ZBJSNUHESA-N	00000010100000110001000010000000000000000000000000000000	25-01-131254
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)C1CC1	PC-id_89237875,SCHEMBL14056531	417.502	FVGCQXCJYXDJES-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-131255
CN(Cc1ccco1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2CCCc2s1	CoCoCo_5183250,ZINC22_5373428,MCULE-8867634042,PC-id_7656131,EMOLS-id_5615224	417.502	OHLVRHVLDHZSOM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131256
COc1ccc(cc1S(=O)(=O)Nc1sc2CCCc2c1C#N)N1CCCC1=O	MCULE-6358641691,EMOLS-id_322626629	417.502	AEXJDGXWLWFOPD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-131257
COC(=O)c1c2CCCc2sc1NC(=O)C(=O)N/N=C/c1ccc(SC)cc1	STOCK4S-39171,PC-id_6292063,EMOLS-id_26339898	417.502	LKFJZTNIECVQQD-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-131258
N#Cc1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)sc2c1CCC2	ZINC22_827252,BAS-00729852,EMOLS-id_1063376,BindingDB_PC-id_1102153,MCULE-6756847616,PC-id_1102153,CoCoCo_124778,CHEMBL93340	417.502	VVWOUHADCOTWCX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131259
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)S(=O)(=O)/N=c/1o[nH]c(c1C)C	CoCoCo_3926165	417.502	XSZRZMCWBQFPDK-QOCHGBHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131260
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)S(=O)(=O)N=c1o[nH]c(c1C)C	EMOLS-id_43922774,MCULE-5226790779	417.502	XSZRZMCWBQFPDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131261
s1c2CCCc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2onc(c2C)C)cc1	PC-id_17566077	417.502	XKKMUVQKSNMARV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131262
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCC(C)C	PC-id_16947998	417.522	YXWNBVKPMOAFGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131320
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)c1occc1)C)C(=O)N	PC-id_9431840	417.502	RBYXLODWGBKDNO-LBPRGKRZSA-O	00000010101010000001000010000000000000000000000000000000	25-01-131263
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)C(=O)c1occc1)C)C(=O)N	PC-id_9431845	417.502	RBYXLODWGBKDNO-GFCCVEGCSA-O	00000010101010000001000010000000000000000000000000000000	25-01-131264
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)C(=O)c1occc1)C)C(=O)N	PC-id_85008408	417.502	RBYXLODWGBKDNO-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-131265
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(OC)cc1)C)C(=O)N	PC-id_25563563	417.502	NIMDAQPYSVYEGH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131266
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1cc(OC)ccc1)C)C(=O)N	PC-id_9198799	417.502	SGZCDILPGUAZHT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131267
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(c(sc1NC(=O)C)C)C)C#N	PC-id_7634603	417.502	AQTONUCYJHMANM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-131268
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1)C#N	PC-id_4955484	417.502	VWCVDGKBGUBYBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131269
c1(C(=O)N2CCN(CC2)c2cccc(C)c2C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-3814548367,EMOLS-id_316326708	417.503	ZCFPSRZAPUWZGV-NRFANRHFSA-N	00000010100010111001100010000000000000000000000000000000	25-01-131270
c1(C(=O)NC2CCN(CC2)Cc2ccccc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316324152,MCULE-9025961806	417.503	FPKLUONTCFFQJG-QFIPXVFZSA-N	00000010100010111001000010000000000000000000000000000000	25-01-131271
c1(C(=O)NC2CCN(CC2)Cc2ccccc2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316254201,MCULE-7114239154	417.503	NAEYLHGFIXIRMS-QFIPXVFZSA-N	00000010100010111001000010000000000000000000000000000000	25-01-131272
c1(C(=O)NC2CCN(CC2)Cc2ccccc2)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-7165618086	417.503	NAEYLHGFIXIRMS-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-131273
CCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	PC-id_58015602,SCHEMBL1204707	417.503	PTPWQBBEGHSSFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131274
CC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	SCHEMBL1206397,PC-id_58015585	417.503	PTPWQBBEGHSSFT-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131275
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)NC1CCN(CC1)Cc1ccccc1	MCULE-2927059730	417.503	FPKLUONTCFFQJG-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-131276
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)N1CCN(CC1)c1cccc(c1C)C	MCULE-2227453664	417.503	ZCFPSRZAPUWZGV-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-131277
OC(C1NC(CC1)Cc1ccc(NC(=O)C2n3nccc3CC2)cc1)c1cccnc1	PC-id_77921803	417.503	VXXIYUBYYXZZOE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131278
O=C([C@@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1cccnc1)O	PC-id_70792359,SCHEMBL12877400,BindingDB_PC-id_70792359	417.503	VXXIYUBYYXZZOE-FCJDFRRUSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131279
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1cccnc1)O	SCHEMBL12877405,PC-id_70792360	417.503	VXXIYUBYYXZZOE-MLDBQTBOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131280
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)C3CCc4ccnn34)cc2)N1)c1cccnc1	EMOLS-id_317493316	417.503	VXXIYUBYYXZZOE-NKYQPBCASA-N	00000010100000111001000010000000000000000000000000000000	25-01-131281
O[C@@H]([C@@H]1N[C@H](CC1)Cc1ccc(NC(=O)C2n3nccc3CC2)cc1)c1cccnc1	PC-id_78426191	417.503	VXXIYUBYYXZZOE-AGXQJBSZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131282
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(CN2CCOCC2)cc1	ZINC22_1875262655,PC-id_146127753	417.503	JZBALVDJNNGVQS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131283
c1(nnc(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)n1C)c1ccoc1C	MCULE-2196019754,BAS-05916927,EMOLS-id_24658256,PC-id_7427412,CoCoCo_341727,ZINC22_4947713	417.505	MURMUWMVZCQZHP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131284
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccco1	PC-id_9292332,CoCoCo_2799609	417.505	IAGYJLSLXLHFRH-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131285
s1c2c(CCC2)c(c1NC(=O)[C@@H](Sc1n(c(nn1)c1occc1)C)C)C(=O)N	PC-id_8889314	417.505	DZYMGDJIYZQLKW-VIFPVBQESA-N	00000010101000000001100010000000000000000000000000000000	25-01-131286
s1c2c(CCC2)c(c1NC(=O)[C@H](Sc1n(c(nn1)c1occc1)C)C)C(=O)N	PC-id_8889317	417.505	DZYMGDJIYZQLKW-SECBINFHSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131287
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)c1occc1)C)C)C(=O)N	PC-id_84865574	417.505	DZYMGDJIYZQLKW-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131288
c1(NC(=O)CSc2c(ccc(c3cccnc3)n2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_4484215,CHEMBL1476347,BindingDB-id_70994,CoCoCo_6930120,ZINC22_17440243,ChEMBL-DNDi_CHEMBL1476347,BindingDB_PC-id_660795,STOCK3S-15225,SPECS-id_AM-807/14147377,MCULE-4066542665,PC-id_660795	417.507	LWMHBSBGDXNSQU-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-131289
Cc1cc(C)nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)n1	BindingDB-id_218914,SCHEMBL12143761,PC-id_59474237,BindingDB_PC-id_59474237	417.507	HLSIURZZWQUMHC-PYUWXLGESA-N	00100010100000110001100010000000000000000000000000000000	25-01-131290
Cc1cc(nc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1)C	SCHEMBL3505125,PC-id_89796593	417.507	HLSIURZZWQUMHC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-131291
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)cc(n1)C)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247482	417.507	HLSIURZZWQUMHC-AEFFLSMTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-131292
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)cc(n1)C)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL3505133,PC-id_68668951	417.507	HLSIURZZWQUMHC-FUHWJXTLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-131293
c1(NC(=O)Cc2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1966236,EMOLS-id_6783405,MCULE-2338698009,ZINC22_720597,PC-id_1046230	417.518	NZFUPIJKJPXGMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131294
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4476659683,PC-id_19221779	417.518	LCHWANNLIIUZLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131295
COC(=O)C1(SCc2ccc(cc2)OC)Cc2c(C1)cn(c2)C(=O)OC(C)(C)C	SCHEMBL7829029,PC-id_15814438	417.518	SEPKSKPKTSJFAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131296
s1c2CCCc2cc1C(=O)OCC(=O)NCCc1cc(OCC)c(OCC)cc1	PC-id_7238796	417.518	UPKSHWZUHFSUNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131297
CCOC(=O)c1c(NC(=O)/C(=C/c2ccccc2)/c2ccccc2)sc2c1CCC2	ZINC22_408574815	417.52	LKNOMBCHQUYXQT-CAPFRKAQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131298
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ccc(F)cc1)C)C(=O)N	PC-id_9431515	417.52	XFXNRUOZOFAKCG-ZDUSSCGKSA-O	00000010100010110001100010000000000000000000000000000000	25-01-131299
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ccc(F)cc1)C)C(=O)N	PC-id_9431517	417.52	XFXNRUOZOFAKCG-CYBMUJFWSA-O	00000010100010110001100010000000000000000000000000000000	25-01-131300
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ccc(F)cc1)C)C(=O)N	PC-id_85008346	417.52	XFXNRUOZOFAKCG-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-131301
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)c2CSCc2nn1C(C)(C)C	PC-id_4413598,MCULE-8531089239	417.522	OBGVBQCSIAVJKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131302
CC(C)c1noc(COC(=O)c2c(NC(=O)C3CCCCC3)sc3c2CCC3)n1	PC-id_30591330,CoCoCo_4643298,EMOLS-id_43427761,MCULE-9752377459,ZINC22_22750603	417.522	VGFQKUIYGPIBEJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131303
CC(Oc1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC1CCC1)S(=O)(=O)C)C	PC-id_118479450,SCHEMBL17214298	417.522	CPPNQGOTDNKPHD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-131304
CN(CCC#N)C(=O)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	EMOLS-id_13537437,CoCoCo_2889305,PC-id_17469392,ZINC22_10932551,MCULE-2736702234	417.522	HQIQVOFZDGNOQG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131305
COc1cc(/C=C/C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc(OC)c1OC	CoCoCo_4980054,PC-id_6103851,ZINC22_4087644,EMOLS-id_26441634	417.522	OBGVBQCSIAVJKA-BQYQJAHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131306
COc1cc(/C=CC(=O)Nc2c3CSCc3nn2C(C)(C)C)cc(c1OC)OC	CoCoCo_4980055,PC-id_92340951	417.522	OBGVBQCSIAVJKA-FPLPWBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131307
COC(=O)c1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110051	417.522	AZEPVQADZGWNOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131308
s1c2CCCc2cc1C(=O)NN=C(c1cc(c(OC)cc1)CSCC(=O)[O-])C	PC-id_78698526	417.522	XVYHFWGPZIDGLH-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-131309
s1c2CCCc2cc1C(=O)N/N=C(c1cc(c(OC)cc1)CSCC(=O)[O-])/C	PC-id_8441238	417.522	XVYHFWGPZIDGLH-MTJSOVHGSA-M	00000010100000110000000010000000000000000000000000000000	25-01-131310
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1cc(OC)c(OC)cc1)C)C)C(=O)N	PC-id_40759536	417.522	GYSCWESUYHMYNM-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131311
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1cc(OC)c(OC)cc1)C)C)C(=O)N	PC-id_40759538	417.522	GYSCWESUYHMYNM-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131312
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1occc1)C(=O)OCC	PC-id_22195989	417.522	OYEDVFJOPMXVNF-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-131313
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(cc(OC)c(OC)c1)C)C)C(=O)N	PC-id_8551088	417.522	NVNGZFVHZBAHIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131314
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1cc(OC)c(OC)cc1)C)C)C(=O)N	PC-id_24506824	417.522	GYSCWESUYHMYNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131315
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(OC)c(OCC)cc1)C)C(=O)N	PC-id_8798794	417.522	WDQDVXFZUFGAJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131316
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c(OC)c(OC)ccc1)C)C)C(=O)N	PC-id_24506926	417.522	UYKGFVAIHQGHGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131317
s1c2c(CCC2)c(c1NC(=O)CN(CCc1cc(OC)c(OC)cc1)C)C(=O)N	PC-id_8586959	417.522	NORKEMXBCNUYLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131318
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_44060297	417.522	QOKIUUDTRKHTHM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131319
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCCCC	PC-id_16948025	417.522	ULAHGPKQHDXMOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131321
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_73468640,MCULE-5320374777	417.523	RLSMAJXPALLVGK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-131322
CC(C)(C)c1nc(CC(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)cs1	MCULE-5211995111,PC-id_100611375,ZINC22_225386798,EMOLS-id_53837448	417.523	KTYDSIAWGVJRNL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131323
CCCCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	ZINC22_16805848,EMOLS-id_45964947	417.523	MODGIUNCOCJEMG-IYHCMYDXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131324
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC22_16735837,EMOLS-id_45966295	417.523	JMIJJUSDQOOGKH-BUTFHRKVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131325
CC(C)CCOc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	EMOLS-id_45964949,ZINC22_16735842	417.523	IYUQBCWNIHEQAA-GZEZDKLRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131326
CCCCCOc1cccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)c1	ZINC22_16735840,EMOLS-id_45966297	417.523	XIQZGNMXQCDREU-DYBSFHBDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131327
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_45965645,ZINC22_16741970	417.523	KDGOUYFXJWYHIY-ODKHDCHRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131328
CCCCOc1ccc(/C=c/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	ZINC22_39835394	417.523	KDGOUYFXJWYHIY-DBIISACCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131329
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-3234963012	417.523	MDOXIZIZQHZFRN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131330
n12nc(nc1sc(=Cc1ccc(cc1)OCCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-1328880383	417.523	KDGOUYFXJWYHIY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131331
n12nc(nc1sc(=Cc1ccccc1OCCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-4115846643	417.523	IZAHXLCLIWYQOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131332
n12nc(nc1sc(=Cc1ccc(cc1)OCCCCC)c2=O)C=Cc1ccccc1	MCULE-6307825660	417.523	JMIJJUSDQOOGKH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131333
n12nc(nc1sc(=Cc1ccccc1OCCCCC)c2=O)C=Cc1ccccc1	MCULE-8491349056	417.523	MODGIUNCOCJEMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131334
n12nc(nc1sc(=Cc1cccc(OCCC(C)C)c1)c2=O)C=Cc1ccccc1	MCULE-2255073181	417.523	IYUQBCWNIHEQAA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131335
n12nc(nc1sc(=Cc1cccc(OCCCCC)c1)c2=O)C=Cc1ccccc1	MCULE-5567970638	417.523	XIQZGNMXQCDREU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131336
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc(cc1)C)C(=O)NCc1cccnc1	PC-id_18883973	417.523	RLSMAJXPALLVGK-VAWYXSNFSA-N	00000010100000111000000010000000000000000000000000000000	25-01-131337
CC1CC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCc1nnc2n1CCC2	PC-id_45864933,MCULE-9518689945,EMOLS-id_29565173	417.525	REFKZVCUHCBWHK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131338
Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)no1	CoCoCo_4231362,PC-id_9452641,CoCoCo_4231361,ZINC22_22787193	417.525	WXOKOHJMFGSCBF-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131339
s1c2CCCc2c(c1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1)C#N	PC-id_4955478	417.546	SLOMKVBBFJWKKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131396
Cc1cc(CN2CCN([C@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)no1	ZINC22_22787199,CoCoCo_4231363,CoCoCo_4231364,PC-id_9452643	417.525	WXOKOHJMFGSCBF-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131340
Cc1onc(c1)CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_13416811,PC-id_16340140,MCULE-7668013400	417.525	WXOKOHJMFGSCBF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131341
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(s1)c1ccccn1	PC-id_89238162,SCHEMBL14056863	417.525	WNEIESDCRPLHJZ-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-131342
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3nnc4n3CCC4)c2)C1	PC-id_51730663,ZINC22_36430659,CoCoCo_4560468	417.525	REFKZVCUHCBWHK-GJZGRUSLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131343
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3nnc4n3CCC4)c2)C1	PC-id_51929788,CoCoCo_4560469,ZINC22_40037533	417.525	REFKZVCUHCBWHK-GASCZTMLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131344
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3nnc4n3CCC4)c2)C1	ZINC22_40037535,PC-id_51929789,CoCoCo_4560470	417.525	REFKZVCUHCBWHK-HUUCEWRRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131345
CCn1nc(c(c1C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109663	417.525	RYEDBSBRXZKTPG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-131346
N#Cc1c(NC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)sc2c1CCC2	MCULE-8969402336,CoCoCo_3954614,ZINC22_22777650,PC-id_9327908,CoCoCo_3954615,EMOLS-id_11758238	417.525	DPLQVWQTZXUFFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131347
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1nnc2n1CCC2	ZINC22_32873617,PC-id_40108037,EMOLS-id_24994591,CoCoCo_4474368,MCULE-4687779247	417.525	JBIPZGFFROSNCZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131348
O=C(Nc1c2CNCc2nn1S(=O)(=O)c1cccc(c1)C)CCN1CCCCC1	PC-id_68441311,SCHEMBL2920534	417.525	BTJPMQWSXUKMBE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131349
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)CCN1CCCCC1	PC-id_68441316,SCHEMBL2920540	417.525	NTXLHNAKGUIYGM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131350
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)CCN1CCCCC1	PC-id_141251749	417.525	INIADKLWJQCVPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131351
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)CCN1CCCCC1	SCHEMBL2920539,PC-id_68441315	417.525	PGUYAXJCKXIXKQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131352
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)CCN1CCCCC1	SCHEMBL2921474,PC-id_68441594	417.525	AVRXFSGRXPSFKL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131353
S(=O)(=O)(N1CCCCC1)c1c(ccc(c1)C(=O)N(Cc1n2CCCc2nn1)C)C	PC-id_46458191	417.525	KJJVHKOEEAJQTG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131354
S(=O)(=O)(N1CCN(CC1)c1ccc(NC(=O)c2nn(c3c2CCC3)C)cc1)CC	PC-id_84467379	417.525	JPHYWEJPRXOOFO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131355
S(=O)(=O)(N(CC)CC)c1ccc(cc1)/C=C/C(=O)N(Cc1n2CCCc2nn1)C	PC-id_46458190	417.525	JSSMUXBJAZPWOS-JLHYYAGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131356
S(=O)(=O)(N(CC)CC)c1ccc(cc1)C=CC(=O)N(Cc1n2CCCc2nn1)C	PC-id_75195780	417.525	JSSMUXBJAZPWOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131357
Cc1nc(Cc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)o2)cs1	EMOLS-id_16681087,ZINC22_11104685,MCULE-1173677684,CoCoCo_2889885,PC-id_41819734	417.528	YDFWANFGAHXYAT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131358
N#Cc1c(NC(=O)CSc2nnc(NCc3ccco3)s2)sc2c1CCC2	PC-id_16333603,ZINC22_13127936,EMOLS-id_11772683,MCULE-6140869085,CoCoCo_4029459	417.528	NIMIIURZKJFRDO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-131359
C/C=C(C1=C(C)c2n(C1CCC1(F)CCC(CC1)C(=O)N1CCCCC1)cnc2)/F	PC-id_142610972	417.535	OBQPVIOBPWERKL-QBROUFQSSA-N	00000011100010000001000010000000000000000000000000000000	25-01-131360
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N(CC(C)C)CC(C)C	PC-id_16947176	417.54	RPTPCDSCGUJKTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131361
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCCCCCCCC	PC-id_16947305	417.54	ULCJKFHFJUNKBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131362
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccc(cc1)C(C)(C)C)C(=O)O	PC-id_57791522,SCHEMBL13786760	417.542	GDOPEVBXECMBMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131363
COc1ccc(c(c1OC)OC)C[NH+]1CCN(CC1)C(=O)c1sc2c(c1)CCC2	PC-id_9069740,GD-id_ZINC07941872	417.542	ZCJXCLLOKXERGQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-131364
s1c2c(c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_74534212	417.542	LMMIJIBZCJXJOF-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-131365
s1c2c(c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_27525477	417.542	LMMIJIBZCJXJOF-LSDHHAIUSA-M	00000010100010000000000010000000000000000000000000000000	25-01-131366
s1c2c(c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_27525479	417.542	LMMIJIBZCJXJOF-GJZGRUSLSA-M	00000010100010000000000010000000000000000000000000000000	25-01-131367
s1c2c(c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_27525481	417.542	LMMIJIBZCJXJOF-HUUCEWRRSA-M	00000010100010000000000010000000000000000000000000000000	25-01-131368
s1c2c(c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_27525483	417.542	LMMIJIBZCJXJOF-CABCVRRESA-M	00000010100010000000000010000000000000000000000000000000	25-01-131369
COc1ccc(cc1)C(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)N(C)C	MCULE-1853796717,EMOLS-id_328216447	417.543	YKBHEDXGSYJJHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131370
c1(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-4370761591,ZINC22_630632,PC-id_984245,EMOLS-id_5647986	417.545	KSRMJKLCTHHRKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131371
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CC)sc2CCCc2c1C#N	MCULE-1853989553,EMOLS-id_331789236	417.545	BKKYKPPRJUBESE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-131372
c1(NC(=S)NC(=O)c2cccc(c2)OCC(C)C)sc2c(CCC2)c1C(=O)N	SPECS-id_AN-153/I259619,CoCoCo_6317431,SPECS-id_AP-970/41728537,EMOLS-id_4099304,SPECS-id_AM-879/J184203,ZINC22_6262865,PC-id_4504477,MCULE-2138510802,TIMTEC126939	417.545	DNGRTSKBGIQIJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131373
c1(NC(=S)NC(=O)c2cccc(OCCCC)c2)sc2c(CCC2)c1C(=O)N	TIMTEC336339,EMOLS-id_4099296,PC-id_4504473,SPECS-id_AN-153/I259615,ZINC22_6264464,CoCoCo_6317404,MCULE-4676467346,SPECS-id_AM-879/J184201	417.545	NMWWJGMBRGGSCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131374
c1(NC(=S)NC(=O)COc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_68832740,MCULE-8257706807,ZINC22_6263211,SPECS-id_AM-879/PD01041,PC-id_4505399	417.545	FBYPEBWBSMOMEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131375
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1ccc(cc1)O	PC-id_17374193,TIMTEC418971,MCULE-2044944499,ZINC22_6397432,EMOLS-id_4099318,CoCoCo_6809627	417.545	RAYXMANANAMSKR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131376
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1ccccc1O	ZINC22_6397451,PC-id_17374142,EMOLS-id_4099320,TIMTEC237010,MCULE-4786141294,CoCoCo_6809568	417.545	JGJUISDRGVXOGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131377
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1cccc(O)c1	ZINC22_6397443,PC-id_17374166,MCULE-1634086129,EMOLS-id_4099322,CoCoCo_6809602,TIMTEC282311	417.545	LEMLSHOFPUSXPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131378
CC(C)COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_4504702,ZINC22_6262858	417.545	IWFDLQHQPHGQCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131379
CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6264435,PC-id_4504481	417.545	UAKIRVSHNDGOFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131380
CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_51424419,ZINC22_6554868	417.545	QVUFTMUVKONVKG-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131381
CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_51424427,ZINC22_6555308	417.545	QVUFTMUVKONVKG-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-131382
CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6554862	417.545	OMHCNCUWNMYTRD-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131383
CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_6555302	417.545	OMHCNCUWNMYTRD-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-131384
CSCCC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1ccccc1	PC-id_16361209,MCULE-3428728397,EMOLS-id_11806645	417.545	NZHJRTBFUJLJJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131385
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3218577,ZINC22_12568301,PC-id_25362936	417.545	NZHJRTBFUJLJJV-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131386
CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25362937,CoCoCo_3218576,ZINC22_12568302	417.545	NZHJRTBFUJLJJV-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131387
O=C(Nc1ccc(S(=O)(=O)/N=C/2CCCCCN2)cc1)c1cc2c(s1)CCC2	CoCoCo_3340641,PC-id_4849940,CoCoCo_3340642,EMOLS-id_26078623,ZINC22_6509911	417.545	FKBMDYXHWLNITQ-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-131388
O=S1(=O)N=C(NCCCOc2cccc(CN3CC=CCC3)c2)c2cscc12	CHEMBL37753,PC-id_135898804	417.545	ZFUHVJPKOJDNNL-UHFFFAOYSA-N	00000011100011110001000010000000000000000000000000000000	25-01-131389
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)NC2=NCCCCC2)ccc1	PC-id_9367194	417.545	VFBOPCCSBTXGCH-UHFFFAOYSA-N	00000010100000110110000010000000000000000000000000000000	25-01-131390
s1c2CCCc2c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)C)cc1)C#N	PC-id_23905606	417.545	NJTQNNUXRHQDTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131391
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OC(CC)C)cc1)C(=O)N	PC-id_4504483	417.545	OMHCNCUWNMYTRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131392
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OC(CC)C)ccc1)C(=O)N	PC-id_4504476	417.545	QVUFTMUVKONVKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131393
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCc2n1)/C=C/c1ccccc1	PC-id_26723405	417.545	ZPFYJVLZZDWYFX-SDNWHVSQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131394
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCc2n1)C=Cc1ccccc1	PC-id_85461802	417.545	ZPFYJVLZZDWYFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131395
COc1ccc(CCN=c2[nH]nc(SCc3cc4n(n3)CCC4)s2)cc1OC	ZINC22_2325824738	417.548	OGSFYRALUKYCPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131397
OC[C@@H](COc1ccc(cc1)CNC(=O)c1sc(c2c1C[C@H](C2C(C)C)C)C)O	PC-id_143171978	417.562	SSPDWXWZIYKGJT-NJKBTARHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131398
OCCOc1ccc(c(c1)OC)CNC(=O)c1sc(c2c1CC([C@H]2C)C(C)C)C	PC-id_143172003	417.562	NBKYOUDJIQKKFS-IKJXHCRLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131399
CCOc1ccc(cc1C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110058	417.565	MFGAXEAEAFCSJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131400
CC(Oc1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92110068	417.565	XUGXRQLQHPWHMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131401
s1c2CCCc2cc1C(=O)Nc1ccc(N2CCN(CC2)Cc2ccccc2)cc1	PC-id_9163459	417.566	FKWLECNCWGWZKC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131402
s1c2CCCc2nc1CN1CCN(CC1)C(=O)Cc1ccc(cc1)c1ccccc1	PC-id_44060418	417.566	QAUGFTZVROYAGK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131403
s1c(nc2c1CCC2)CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1	PC-id_44060318	417.566	RFENQYXQDMFMQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131404
CC(=O)NCc1ccc(s1)c1nc(sc1C)NC(=O)c1sc2c(c1)CCC2	PC-id_112818798	417.568	LLDNOYAGQUDGGG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-131405
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)NCC(C)C)C#N	PC-id_24589389	417.568	XOAOKHTWUXVKPQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131406
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)N(CC)CC)C#N	PC-id_78830302	417.568	NXIKBSFIFQHKRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131407
c1(C(=O)N(CC2CCN(CC2)CCOC)CC2CCCN2CC)c2CCCc2[nH]n1	MCULE-1649909431,EMOLS-id_20453049,PC-id_45182678	417.588	IHLCRIUPUFAYOT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131408
CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_42289313,CoCoCo_1204525,CoCoCo_1204532,CoCoCo_1204528,CoCoCo_1204529,CoCoCo_1204533,CoCoCo_1204520,CoCoCo_1204524,ZINC22_11935449,CoCoCo_1204521	417.588	IHLCRIUPUFAYOT-LJQANCHMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131409
CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_42289315,ZINC22_11935450,CoCoCo_1204530,CoCoCo_1204526,CoCoCo_1204519,CoCoCo_1204523,CoCoCo_1204518,CoCoCo_1204527,CoCoCo_1204522,CoCoCo_1204531	417.588	IHLCRIUPUFAYOT-IBGZPJMESA-N	00000010100010000001000010000000000000000000000000000000	25-01-131410
O=C(c1ccc(c(c1)Cl)I)NCc1sc2c(c1)CCC2	PC-id_103221899	417.692	LCDLLFYNLIWMAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131411
CN=C(NCc1nnc2n1CCC2)NCCOc1c(Cl)cc(cc1Cl)Cl	PC-id_109464322	417.721	ZXKDVNGXQFDRQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131412
c1(c2CCCc2sc1NC(=O)C(Cl)(Cl)Cl)C(=O)Nc1ccccc1C	PC-id_1371933,MCULE-5160256017,EMOLS-id_2109164,ZINC22_1218930,Chemmine_25113	417.737	RLLQPFXNVYVIKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131413
CCN(CC)c1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324914688	417.74	QNXDQYQYCCFPKX-XFXZXTDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131414
n12c(=O)c(=Cc3ccc(cc3)N(CC)CC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7817710900	417.74	QNXDQYQYCCFPKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131415
Cc1c(nc2n1CC(O2)COc1cc(c(cc1)C(C)(C)C(F)(F)F)Cl)C(=O)N	PC-id_86342440	417.81	WPSILUWHIBSECI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131416
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc(cc1)C(F)(F)F	PC-id_5253874	417.83	VPMQPEVZFQTWKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131417
COc1ccccc1OCc1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324867599	417.841	PQAYCJRPASLEFN-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131418
COc1cccc(OCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)c1	EMOLS-id_324877825	417.841	JUTNRZCPHUPIKX-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131419
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1ccccc1OC	MCULE-6495025718	417.841	PQAYCJRPASLEFN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131420
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1cccc(OC)c1	MCULE-4790882575	417.841	JUTNRZCPHUPIKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131421
Cc1nn([C@@H](C)C(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)c(C)c1Cl	PC-id_51853356,ZINC22_36614349	417.856	CLIKJNPRBDGRDU-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131422
Cc1nn([C@H](C)C(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)c(C)c1Cl	PC-id_51853357,ZINC22_36614350	417.856	CLIKJNPRBDGRDU-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131423
CCC(C(=O)NCC(C)Cn1cc(Cl)cn1)n1nc(c2CCCc12)C(F)(F)F	TIMTEC561828,PC-id_19591050,EMOLS-id_8867605,MCULE-1764443419	417.856	XYQCLPFYJUPKFX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131424
CCC(C(=O)NCCn1nc(C)c(Cl)c1C)n1nc(c2CCCc12)C(F)(F)F	PC-id_19590909,EMOLS-id_8867305,TIMTEC474112,MCULE-2272302298	417.856	UENHFVFLWBDCIY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131425
CC[C@@H](C(=O)NC[C@@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092575,ZINC22_20607694	417.856	XYQCLPFYJUPKFX-RISCZKNCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131426
CC[C@H](C(=O)NC[C@@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092576,ZINC22_20607695	417.856	XYQCLPFYJUPKFX-BXUZGUMPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131427
CC[C@@H](C(=O)NC[C@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607696,PC-id_29092577	417.856	XYQCLPFYJUPKFX-FZMZJTMJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131428
CC[C@H](C(=O)NC[C@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607697,PC-id_29092578	417.856	XYQCLPFYJUPKFX-SMDDNHRTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131429
CC[C@H](C(=O)NCCn1nc(C)c(Cl)c1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092484,ZINC22_20607572	417.856	UENHFVFLWBDCIY-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131430
CC[C@@H](C(=O)NCCn1nc(C)c(Cl)c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607571,PC-id_29092483	417.856	UENHFVFLWBDCIY-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131431
CC(C(=O)NCCCn1nc2CCCc2c1C(F)(F)F)n1nc(C)c(Cl)c1C	EMOLS-id_8868266,TIMTEC101913,MCULE-9624148703,PC-id_19614124	417.856	CLIKJNPRBDGRDU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131432
N#Cc1c(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)sc2c1CCC2	MCULE-1166476344,EMOLS-id_43702773,CoCoCo_2857391,PC-id_2464742,ZINC22_3347924	417.856	YZYAACHOQJPHSX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-131433
Brc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324903940	418.351	JUOTUSYYZRUAOX-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-131513
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920805,PC-id_134303080	417.861	OMZGJHHLHLLDRK-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-131434
COC1Cn2c(=Nc3cc(c(c(c3F)SC=C=O)Cl)OC)sc(=O)n2C1	SCHEMBL9130288,PC-id_88418322	417.863	ZAMVYSXLZGAXGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131435
c1(NC(=O)COC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_31256990,ZINC22_6163320,CoCoCo_5205199,PC-id_7902933,MCULE-6315001358	417.866	YFAYYJYWGMCHEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131436
Clc1ccc(c2nn(nn2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_42016307	417.869	OORJGYWYXLTOCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131437
CCCCc1c(C(=O)c2ccccc2)n2c(c1Cl)C(CC2)(C(=O)OC)C(=O)OC	SCHEMBL11251054,PC-id_54220525	417.883	QCGNMTCIGCEQQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131438
O=C(NCCc1nnc2n1CCC2)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1	ZINC22_95461152,MCULE-2914404822,PC-id_75400201,EMOLS-id_48318540	417.889	XJLSHNYDLFHAML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131439
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1CCNC(=O)C1	SCHEMBL20353878,PC-id_135200301	417.909	RWOUNTWKHCUGLT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131440
CC(=O)N1CCC1C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20353883,PC-id_135200306	417.909	BSUVJIDTLBKGGR-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-131441
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)Cc1nnc2n1CCC2	MCULE-4863824057,ZINC22_48237382,EMOLS-id_31950705,PC-id_47034198	417.912	KSJUDWVJWSAVPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131442
c1(C(=O)N2CCN(CC2)CCOc2ccc(cc2)Cl)cc2n(C[C@@H](N(C)C)C2)n1	MCULE-1873195959,EMOLS-id_316326710	417.932	HJBAFSLIEQDXBF-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131443
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1nc2c(s1)CCC2	ZINC22_47478185,EMOLS-id_33350854,PC-id_51116247,MCULE-1894623358	417.932	XOCYVPYMYZBDRD-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-131444
Clc1cc(c2sc(c(n2)C)C(=O)NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_24514588	417.932	XBFRDRXUHPFINN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131445
Clc1ccc(c2sc(c(n2)C)C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_24514598	417.932	ZIYPHSKFUZOAKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131446
Clc1ccc(cc1)OCCN1CCN(CC1)C(=O)c1cc2n(n1)CC(C2)N(C)C	MCULE-4914996573	417.932	HJBAFSLIEQDXBF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131447
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2sccc2)cc1	PC-id_16947384	417.932	RTSBPKPVKWFZNM-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-131448
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1cc(Cl)ccc1OC	PC-id_111917123	417.936	UZZXPQOWHOGUJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131449
c1(c2CCCc2sc1NC(=O)CN1CCCCC1)C(=O)Nc1ccc(cc1)Cl	PC-id_1328163,MCULE-8737822866,ChEMBL-DNDi_CHEMBL7002371,CoCoCo_865303,ZINC22_4845048,EMOLS-id_1997952	417.952	QFYUMQHALXRUKL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131450
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCC2CCCCC2)cc1	PC-id_16947471	417.952	RBFUZBAZIWEKQI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131451
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)NC4CCCCCC4)c3n2)cc1	PC-id_16947371	417.952	VOMJOXRDLYLCHR-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-131452
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccccc1Cl)N(CC)CC	PC-id_111020397	417.979	WPKQQRDYSHHHHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131453
CC(C1=CC(=NC=C1)C(F)(F)F)N2C(=O)C3=C(C2(C)C)SC(=C3)Br	PC-id_152837174	417.996	SXTMDFVHSRYRMM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-131454
Ic1c([se]c2[Se]CCc12)C(C)(C)C	PC-id_49844924	418.035	AUCYRUXBBAVFFO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-131455
C1C2=CN(N=C2CN1C(=O)C3(COC3)C4=C(C=CC=N4)Cl)S(=O)C5=CNN=C5	PC-id_164872304	418.061	OVXCCOFACCSEGI-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-131456
COc1ccc(cc1)COCC1Cn2c(O1)nc(c2Br)Br	PC-id_140261664	418.081	FRUAGXPSZXQSMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131457
COc1ccc(cc1)COC[C@@H]1Cn2c(O1)nc(c2Br)Br	PC-id_140263747	418.081	FRUAGXPSZXQSMD-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-131458
OC(=O)C1CCc2c1nc(s2)Nc1c(Br)cccc1Br	PC-id_107604309	418.104	XKUFSPOBBRNYDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131459
OC(=O)C1CCc2c1nc(s2)Nc1cc(Br)ccc1Br	PC-id_104288313	418.104	CVWLQVQZIBOLOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131460
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Br)Br	PC-id_104288486	418.104	GRGHRMFXOLXDGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131461
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)CO)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278714	418.111	IBTBPIQFHKDDPT-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-131462
CC1=CC=C(C=C1)CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)O	PC-id_149469541	418.2	ZBCCZMDZEGUICK-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131463
CC1=CC=CC=C1CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)O	PC-id_160355376	418.2	XKSOKTNSRPEXQD-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131464
CC(C)(C)C1=CC=CC=C1OCCN(C)C(=O)C2=NNC3=C2CN(C3)S(=C)(=O)C	PC-id_160530392	418.204	ULEUOMKIFICFLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131465
CCOC(=O)c1c(Br)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740133	418.208	YAJRPLKHNCKBCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131466
CCOC(=O)C1=C([NH+](N=C1C)[O-])N=Nc1c2[NH+](N=C(n2nc1C(C)(C)C)C(C)C)[O-]	PC-id_164147814	418.208	ZBYXZYZZQKPRTH-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-131467
CN(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3)C(=O)C4=CC(=CC=C4)N(C)C	PC-id_165180358	418.212	LXHXOTADXWPNJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131468
CN(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3)C(=O)C4=CC=C(C=C4)N(C)C	PC-id_165180397	418.212	OUBUTPSIUFGEBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131469
Ic1cc([N+](=O)[O-])c(NCc2sc3c(CCC3)c2)cc1F	PC-id_66099651	418.225	XJJPEXYDYQOWQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131470
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)NCC)N	PC-id_154689161	418.228	NUDUVJCMDQVAHV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131471
Clc1c2n(CCC2C(=O)O)c(c1Cl)C(=O)c1cc(S(=O)(=O)OC)ccc1	PC-id_20404969,SCHEMBL11007662	418.249	OXRVALHCTGCOFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131472
C[C@H](C1=NN(C2=C1CCC2)CCCNC(=O)OC)N(C3CC3)C(=O)[C@H]4CCCCO4	PC-id_148745359	418.258	ODQJLEQEQIVWIO-DNVCBOLYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-131473
Fc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	ZINC22_16741721,EMOLS-id_45966501	418.272	FFUWDTHKCKGYFE-QRHXOUSSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131474
Fc1ccc(/C=C/c2nc3s/c(=Cc4c(Cl)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_45965739,ZINC22_16742170	418.272	AQLVCEQZWWBIRL-RKQKHZQPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131475
n12nc(nc1sc(=Cc1c(cccc1Cl)Cl)c2=O)C=Cc1ccc(cc1)F	MCULE-4978037676	418.272	AQLVCEQZWWBIRL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131476
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)C=Cc1ccc(cc1)F	MCULE-7820350351	418.272	FFUWDTHKCKGYFE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131477
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4619663976	418.272	TWFPVVJTLNTTRO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131478
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)C=Cc1ccc(cc1)F	MCULE-7416591185	418.272	GQYXJSUPWGJNGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131479
O=c1/c(=Cc2ccc(Cl)cc2Cl)/sc2nc(/C=C/c3ccc(F)cc3)nn12	ZINC22_39835513	418.272	FFUWDTHKCKGYFE-XXILQYNNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131480
Ic1scc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_79693505	418.273	UAFAGQBOGHHAEH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-131481
Brc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2c1OCC2	SCHEMBL18215115,PC-id_122678120	418.284	SSBNVFPTOCVIBO-HUUCEWRRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131482
Brc1c(cc(N2CC(CC2=O)C(=O)NCc2n3CCCc3nn2)cc1)C	MCULE-8157408130,PC-id_42890688,EMOLS-id_24079618	418.288	SHJFSKXWOWCIMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131483
Cc1cc(N2C[C@@H](C(=O)NCc3nnc4n3CCC4)CC2=O)ccc1Br	CoCoCo_4775912,ZINC22_24444568,PC-id_31821518	418.288	SHJFSKXWOWCIMR-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131484
Cc1cc(N2C[C@H](C(=O)NCc3nnc4n3CCC4)CC2=O)ccc1Br	PC-id_31821520,ZINC22_24444572,CoCoCo_4775911	418.288	SHJFSKXWOWCIMR-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131485
COC(=O)C1CCn2c1c(Cl)c(c2Cc1cccc(c1)S(=O)(=O)OC)Cl	SCHEMBL11045058	418.292	OEISXYNETMFJFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131486
Cc1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324845811	418.296	IUXGZRWFKGQXCW-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131487
Cc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324847345	418.296	FOUSGGOLKYMSKP-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131488
Cc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324848882	418.296	TYIYWOYWPBMTSO-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131489
Cc1ccc(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	EMOLS-id_324866056	418.296	NSAXHEYLYCPAOO-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131490
Cc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324868614	418.296	LMUZMCWNVVSTPC-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131491
Cc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_324867079	418.296	FDTGDXZECVVCLS-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131492
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccccc3)/c(=O)n2n1	EMOLS-id_324912647	418.296	URANVPFNHWTREP-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131493
Clc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1Cl	EMOLS-id_324848894	418.296	MEDPXPIOEOWYPO-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131494
Clc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c(Cl)c1	EMOLS-id_324846334	418.296	MASGAIXNAHQBRM-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131495
Clc1cccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)c1Cl	EMOLS-id_324847871	418.296	KIXZMSVUUOFZFK-PTNGSMBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131496
n12c(=O)c(=Cc3ccccc3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-1068750716	418.296	URANVPFNHWTREP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131497
n12nc(nc1sc(=Cc1ccccc1C)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8544975178	418.296	IUXGZRWFKGQXCW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131498
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-6209253417	418.296	TYIYWOYWPBMTSO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131499
n12nc(nc1sc(=Cc1ccc(C)cc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-9839111592	418.296	FOUSGGOLKYMSKP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131500
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCOc1ccccc1	MCULE-9569841182	418.296	KIXZMSVUUOFZFK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131501
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1ccc(cc1)C	MCULE-7222889930	418.296	NSAXHEYLYCPAOO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131502
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)CCOc1ccccc1	MCULE-6393752515	418.296	MASGAIXNAHQBRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131503
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1ccc(cc1)C	MCULE-3662822412	418.296	LMUZMCWNVVSTPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131504
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)CCOc1ccccc1	MCULE-8623959405	418.296	MEDPXPIOEOWYPO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131505
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1ccc(cc1)C	MCULE-4919241078	418.296	FDTGDXZECVVCLS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131506
Brc1c2n(CCC2C(=O)OC)c(c1CCCC)C(=O)c1ccc(cc1)C	PC-id_20405072,SCHEMBL11008728	418.324	IRZWYKHPHKQLTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131507
Brc1c2n(CCC2C(=O)OCCCCCC)c(c1)C(=O)c1ccccc1	PC-id_20405063,SCHEMBL11005603	418.324	CZIGHAAXAQIVEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131508
CN=C(NC1CCN(C1)c1ccc(cc1)Br)NCc1nnc2n1CCC2	PC-id_111917657	418.334	CEDVSWMCXIFCRQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131509
CN=C(NC1CCN(C1)c1ccccc1Br)NCc1nnc2n1CCC2	PC-id_111922191	418.334	PZZZEKZXXMZMNZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131510
Brc1c(OC(C)C)cc(/N=c/2snc3SC(Cn23)(C)C)c(F)c1	PC-id_13648754,SCHEMBL7888908	418.347	MVQMPVZEILGVIW-AQTBWJFISA-N	00000010100000110001000010000000000000000000000000000000	25-01-131511
Brc1ccccc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324902919	418.351	QZKHRXRHPPNTCC-VBKFSLOCSA-N	00000000100010110001000010000000000000000000000000000000	25-01-131512
Brc1ccc(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_24588999	418.351	ZGLATEJPBRGQQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131514
Brc1ccc(C(NCC(=O)Nc2sc3CCCc3c2C#N)CC)cc1	EMOLS-id_3692509,MCULE-2707005531,PC-id_16344763	418.351	DHGUJPOHCCSFTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131515
Brc1c(CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_55482804	418.351	YQZLMJCDBZOYES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131516
CC[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(Br)cc1	PC-id_9440490,CoCoCo_3685808,ZINC22_58173714	418.351	DHGUJPOHCCSFTA-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131517
CC[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(Br)cc1	PC-id_9440493,ZINC22_58173716,CoCoCo_3685807	418.351	DHGUJPOHCCSFTA-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131518
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)CCC1CCCCC1	MCULE-2298080599	418.351	JUOTUSYYZRUAOX-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-131519
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCC1CCCCC1	MCULE-3417451084	418.351	QZKHRXRHPPNTCC-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-131520
CCC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(c1C(=O)OC)CCC2	ZINC22_3671511,MCULE-5309796327,CK3210428,CoCoCo_1954413,PC-id_546560,EMOLS-id_4413618,STOCK1S-87615	418.355	KFSBSKDBWVRQCU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-131521
c1(C(=O)NCc2ccc(cc2)OC(F)(F)F)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-8150529661,EMOLS-id_316329267	418.369	CLSDARWMGLHVDJ-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131522
C=C(/C=C/1Cc2c(C1(C)C)[nH]cc2)Cc1ccc(cc1)c1ccc(cc1)Br	PC-id_144605631	418.369	VBPIVKOSVQDDGZ-PXLXIMEGSA-N	00000010100000110000100010000000000000000000000000000000	25-01-131523
N/C=CC(=C/N)\n1nc2c(c1)CN(C2)C(=O)c1cc(C#N)ccc1OCC(F)(F)F	PC-id_144952457	418.372	YLDRKWNQTZECAT-DUHPWUFJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131524
C=NN(c1nc(cnc1N)c1cnn(c1)CC(F)(F)F)CC1=Nc2n(C1C)ncc2	SCHEMBL12487548,PC-id_68287972	418.379	LARIENGZEYNIOQ-UHFFFAOYSA-N	00000011100000100001100010000000000000000000000000000000	25-01-131525
Cc1ccccc1NC(=O)c1c(sc2c1CCC2)NC(=O)C(C(F)(F)F)(F)F	SCHEMBL20541815,PC-id_135363062	418.381	IMJJIRXMIVGOMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131526
c12nc(sc1CN(Cc1ccc(cc1)F)C2=O)NC(=O)Nc1ccc(cc1F)F	EMOLS-id_33030434,MCULE-9094176166,PC-id_53188485	418.392	NHOAUARZGABBIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131527
Fc1ccc(cc1)CC1CN(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL6010799,PC-id_69635343	418.399	SRBRBHZRBFSABY-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-131528
Fc1ccc(cc1)C[C@@H]1CN(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69635348,SCHEMBL6010804	418.399	SRBRBHZRBFSABY-NYRJJRHWSA-M	00000010100010110001000010000000000000000000000000000000	25-01-131529
CC(C1Cn2c(O1)ncc2)OC(=O)N(c1ccc(cc1)C(=O)OC(C)(C)C)[N+](=O)[O-]	PC-id_140503043	418.401	SINNBABBNHAPDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131530
O1C(Cn2c1nc([N+](=O)[O-])c2)(COC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1)C	SCHEMBL5534763,PC-id_69479133	418.401	ZLWNOVICKVMLRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131531
C[C@]1(Oc2n(C1)cc(n2)[N+](=O)[O-])Cn1nnc(c1)c1ccc(cc1)Oc1ccccc1	SCHEMBL19518608	418.405	OVZBDVDNKPIWIH-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131532
CC1(Oc2n(C1)cc(n2)[N+](=O)[O-])Cn1nnc(c1)c1ccc(cc1)Oc1ccccc1	SCHEMBL19518609	418.405	OVZBDVDNKPIWIH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131533
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CCC1)O[C@H](C(F)(F)F)C	SCHEMBL18501297	418.412	NYWXRHSKVBPGON-ZDUSSCGKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-131534
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Nc1ccc(cc1)C(F)(F)F	PC-id_92109582	418.412	UZEOJWWBNZMYSC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131535
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Nc1cccc(c1)C(F)(F)F	PC-id_92109583	418.412	UVXDKJIFVDZXLM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131536
c1(NC(=O)c2ccc(COc3ccc(cc3F)F)o2)sc2c(CCC2)c1C(=O)N	PC-id_35525022,EMOLS-id_15294358,CoCoCo_6453708,MCULE-3112491056,ZINC22_28227894	418.414	KDBUJAQRSFRSQR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-131537
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)c1cc(F)c(F)cc1)C(=O)OCC	PC-id_52077868	418.414	BVIOOKOVYXJYEJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131538
c1(NC(=O)c2ccc(c(F)c2)F)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862576,ZINC22_23139297,CoCoCo_5277692,EMOLS-id_24913413,MCULE-5158917155	418.417	NIIMIZBMKVOPSD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131539
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2F)CC(=O)NCc2occc2)C1	PC-id_44053282	418.417	AIVFTYZYLMMSNQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131540
S1Cc2c(nn(c2NC(=O)c2c(F)cc(F)cc2)CC(=O)NCc2occc2)C1	PC-id_44053240	418.417	KDJGPNPHAWIRJP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131541
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)N(c1ccc(cc1)F)C=O	PC-id_141257371	418.419	MFOMZTUJJGNKGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131542
Fc1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)OC(C)(C)C)C(=O)OCC)cc1	PC-id_71476501	418.419	GBOPVHVJBDWRAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131543
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(c(c1)N(=O)=O)C)C(=O)OC	PC-id_19172157,MCULE-9991137043	418.42	PUEWFBMPWPUGPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131544
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(c(C)c1)N(=O)=O)C(=O)OC	MCULE-1257875287,PC-id_19177609	418.42	FFRONEOAFRCMOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131545
c1(NC(=O)COC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6888130,SPECS-id_AG-205/33650010,ZINC22_8427587,MCULE-2145429646,EMOLS-id_6176125,PC-id_3961420	418.42	VXKKEHYLMGEDSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131546
Fc1ccc(C(=O)Nc2nn(C(=O)C3CC3)c3c2CN(C3)C(=O)c2ccccc2)cc1	PC-id_71454906	418.42	NXOSIOUWEQAUGS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-131547
s1c2c(CCC2)c(c1NC(=O)c1c(OC(=O)C)ccc([N+](=O)[O-])c1)C(=O)OCC	PC-id_24044664	418.42	OUXQBPLEJFDRHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131548
s1c2c(CCC2)c(c1NC(=O)COc1c(cc([N+](=O)[O-])cc1)C=O)C(=O)OCC	PC-id_34743018	418.42	PGFPECUSSYQRAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131549
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(c([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_45686993	418.42	LBZLHOAPJOUISM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131550
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c([N+](=O)[O-])ccc1)C)C(=O)OC	PC-id_45696707	418.42	XOSGTEXWEAUDFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131551
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])c(ccc1)C)C(=O)OC	PC-id_45635585	418.42	YYFDEMMNAFHPIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131552
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_41987350	418.42	ZZWHBCNDRNHSQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131553
CCOP(=O)(OCC)CCNC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_58701625,SCHEMBL13653088	418.423	WNGMRPZNUIAHCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131554
CNc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1[N+](=O)[O-]	PC-id_4847957,MCULE-1721038702,EMOLS-id_15242782,CoCoCo_2890367,ZINC22_9507785	418.424	XUHOLAGROHBLLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131555
CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-5133780512,ZINC22_17051154,PC-id_27509068,EMOLS-id_36256275	418.424	VLHMQCNBUXWTIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131556
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(N)ccc([N+](=O)[O-])c1)C)C(=O)N	PC-id_30977698	418.424	PBJUHFWNCCELTO-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131557
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(N)ccc([N+](=O)[O-])c1)C)C(=O)N	PC-id_30977700	418.424	PBJUHFWNCCELTO-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131558
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(N)cc([N+](=O)[O-])cc1)C)C(=O)N	PC-id_52514155	418.424	GHCHLPXIAMABQO-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131559
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(N)cc([N+](=O)[O-])cc1)C)C(=O)N	PC-id_52514156	418.424	GHCHLPXIAMABQO-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131560
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(N)ccc([N+](=O)[O-])c1)C)C(=O)N	PC-id_85478859	418.424	PBJUHFWNCCELTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131561
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(N)cc([N+](=O)[O-])cc1)C)C(=O)N	PC-id_75861342	418.424	GHCHLPXIAMABQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131562
c1(NC(=O)COc2nonc2C(=O)NCCNC(=O)C)sc2CCCc2c1C#N	MCULE-5926083618,EMOLS-id_333716029	418.427	WNGBIJPAOKLZTP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131563
CCOC(=O)c1c(NC(=O)c2c(C)[n-]n3c(c(C)n[n+]23)[N+](=O)[O-])sc2CCCc12	EMOLS-id_6786644,MCULE-9170886105,PC-id_135497382	418.427	NUYBQJCATJCVEP-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-131564
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1F)C(F)(F)F)C(=O)OC	PC-id_20409578	418.429	FXNBSJJTYDFCJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131565
CCOC(=O)c1c(NC(=O)C2CCN(CC2)C(=O)C(F)(F)F)sc2CCCc12	MCULE-1582331260,EMOLS-id_327923639	418.431	AIKZSAXNNDHQSQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131566
NC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)sc2c1CCC2	CoCoCo_3636699,PC-id_2432803,MCULE-6333242773,ZINC22_3317049,EMOLS-id_3098239	418.439	HBCXPZXRXNBAAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131567
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(F)c(OC)cc1)C(=O)N	PC-id_78634470	418.439	LKVPBVQTCREBHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131568
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(F)c(OC)cc1)C(=O)N	PC-id_8215068	418.439	LKVPBVQTCREBHU-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131569
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N	PC-id_4233683	418.439	XFCQUQHKTDDMGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131570
Fc1cc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(N)CC2)(C)C)cc(F)c1	PC-id_10093469	418.44	BXBNIKJQUYZKJP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131571
OC(=O)CN1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1	PC-id_44137293,SCHEMBL8027456	418.447	FYRQVTLKKSYNQP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131572
OC(=O)CN1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1	PC-id_44137292,SCHEMBL8017588	418.447	KRVVITPUJGGUII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131573
CC(=O)Nc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL2917728,PC-id_68440413	418.448	KHCYVPLUWGSCSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131574
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sccc1n1nnnc1)C(=O)N	PC-id_46428039	418.45	JTPHXISVPZKVEG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-131575
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1c(OC)ccc(OC)c1	EMOLS-id_4100124,MCULE-1974776734,ZINC22_17091408,CoCoCo_6833398,PC-id_17377342,TIMTEC538189	418.463	WYEQIVXATGPXKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131576
c1(NC(=O)C(=O)NCCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)O	ZINC22_6754618,STOCK6S-11393,MCULE-5334409496,PC-id_8069358,EMOLS-id_4741685	418.463	RAQYNXBWQMHGLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131577
CCCOc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2csc(c2C1=O)N)OC	PC-id_89617328,SCHEMBL15015443	418.463	LJDVVHJLLDNPPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131578
CCOc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1OC	ZINC22_6163846,PC-id_7903380,EMOLS-id_30737471,MCULE-9944581753	418.463	BZAZZUAEVHXYSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131579
COc1ccccc1OCCC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3005002,PC-id_5236031,ZINC22_7157571,EMOLS-id_3222712,MCULE-5161316008	418.463	VGOZVSWKQNBTBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131580
Fc1ccc(cc1)c1c[nH]c(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109482	418.463	OVSPGJRKBXXYAS-UHFFFAOYSA-N	00000010111000110001100010000000000000000000000000000000	25-01-131581
s1c2c(CCC2)c(c1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC(=O)OCC	PC-id_7521522	418.463	IWGPHMXYOQHNLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131582
s1c2c(CCC2)c(c1NC(=O)c1cc(OC)c(OC)cc1)C(=O)NC(=O)OCC	PC-id_7521530	418.463	BAKGKVMDQKMEOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131583
s1c2c(CCC2)c(c1NC(=O)c1c(OC)cc(OC)cc1)C(=O)NC(=O)OCC	PC-id_7521523	418.463	IKHPCBJQHQVKOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131584
s1c2c(CCC2)c(c1NC(=O)c1c(OC)c(OC)ccc1)C(=O)NC(=O)OCC	PC-id_7521570	418.463	SBAJCVRYUQEHCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131585
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(OC)cccc1OC)C)C(=O)N	PC-id_52499937	418.463	MSZHJJMSTWGNDH-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-131586
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(OC)cccc1OC)C)C(=O)N	PC-id_52499938	418.463	MSZHJJMSTWGNDH-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131587
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(c(OC)c1)C)C(=O)N	PC-id_3909985	418.463	DMDWHPXDNRLPLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131588
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OCC)cc1)C(=O)N	PC-id_7811240	418.463	VVXZUXNJHISSTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131589
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NCCO)cccc1)C(=O)OC	PC-id_45647724	418.463	JVFKRGYVAAMYBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131590
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(OC)cccc1OC)C)C(=O)N	PC-id_75859920	418.463	MSZHJJMSTWGNDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131591
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OCC)nccc1)C(=O)OCC	PC-id_4546450	418.463	KBZRAKWQUURGFX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-131592
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1n(cc(c1)C(=O)C)C)C(=O)OCC	PC-id_9523427	418.463	LZCYMBFRVJUDOV-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-131593
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)C)C)C(=O)OC	PC-id_16500476	418.463	PKGHAODSDQNTKU-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-131594
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1)C(=O)N	PC-id_4239484	418.463	ROZHJYWUCGIJHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131595
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(OCC)cc1)C(=O)N	PC-id_7605882	418.463	OQUVFZNMWPIRIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131596
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(OCC)cccc1)C(=O)N	PC-id_26929819	418.463	HELRXUKGJRSBST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131597
N#CCC(N1C(=O)c2c(C1=O)csc2)c1ccc(c(c1)OC)OCc1ccccc1	SCHEMBL2994300,PC-id_68469852	418.465	WRHRTDCLVQMXSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131598
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1)C#N	PC-id_16540818	418.465	RURSSVHOMSWEBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131599
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(Oc2ccccc2)ccc1)C#N	PC-id_16521983	418.465	UNQFSVCRUOLLFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131600
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(Oc2ccccc2)cccc1)C#N	PC-id_16524544	418.465	XJQRHTXHGPFQKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131601
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)C1=O	CoCoCo_2865104,EMOLS-id_24160106,PC-id_25699837,ZINC22_13069672,MCULE-6946014315	418.467	IYOCORWDIQCSGM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131602
C[C@@](CCN1Cc2cc(C#CC#CC3CNC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4468537	418.467	VYQDZTOCUMYPNV-LJQANCHMSA-N	00001010100000000001000010000000000000000000000000000000	25-01-131603
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(N)CC1)C	PC-id_118368912,SCHEMBL18730115	418.467	MOTPIMZRDHMLFU-GOSISDBHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-131604
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(N)CC1)C	SCHEMBL18730117	418.467	MOTPIMZRDHMLFU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-131605
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(CCCC)c(=O)cc1)C(=O)N	PC-id_30695713	418.467	MKEQGCTXFQEFOX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131606
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNc1ncccn1)C(=O)OCC	PC-id_55701392	418.467	ZQLWBOURQLIFCF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131607
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(=O)OC)CC(=O)NCCOC)C1	PC-id_44053053	418.467	SILGWGASHBANCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131608
S1Cc2c(nn(c2NC(=O)C(=O)OCC)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053607	418.467	ZYVPHBKVNMHDTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131609
c1(NC(=O)COc2ccc(cc2)NC(=O)c2cccnc2)sc2c(CCC2)c1C#N	MCULE-1366382666,EMOLS-id_323213550	418.468	RYQGNIUGHPPHSC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-131610
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccnc2)sc2c(CCC2)c1C#N	MCULE-2003579662,EMOLS-id_323159385	418.468	DNELUXYOQVOJFD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-131611
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccncc2)sc2c(CCC2)c1C#N	EMOLS-id_323164765,MCULE-2782750011	418.468	HIFNUOBIAQQQSA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-131612
c1(NC(=O)COc2ccc(cc2)NC(=O)c2ccncc2)sc2c(CCC2)c1C#N	MCULE-5235132633,EMOLS-id_323220704	418.468	OQZXLIQTPKGSKI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-131613
c1(NC(=O)COc2cccnc2NC(=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321805690,MCULE-9598472133	418.468	SLURTXVUPHTOSB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-131614
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1)C)F	SCHEMBL7018203,PC-id_59333995	418.468	CXHOXRFPUWJQIL-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-131615
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N)c2=O)C=Cc1ccc(cc1)C	MCULE-2448904957	418.468	UHRCNQVHAOFOQZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131616
NC(=O)c1c(NC(=O)CSc2nnnn2c2cccc(F)c2)sc2c1CCC2	EMOLS-id_11753724,PC-id_16320996,MCULE-1523403045,CoCoCo_3899958,ZINC22_9874059	418.468	WWJPWPXBOIXIKB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131617
c1(NC(=O)COc2nonc2CC(=O)NCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_333686609,MCULE-1596279374	418.47	DMRRYXGLUJBEFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131618
c1(NC(=O)COc2nonc2C(=O)NCCCN(C)C)sc2CCCc2c1C#N	MCULE-8823975027,EMOLS-id_333717308	418.47	KCHNGZYHXKGKSY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131619
O=C1CN(S(=O)(=O)c2ccc(C(=O)NCCc3nnc4n3CCC4)cc2)CCN1	EMOLS-id_33353852,ZINC22_58420791,PC-id_51118662,MCULE-8056139015	418.47	QLNXVBGKJKGVFV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131620
s1c2c(CCC2)c(c1Nc1nc(N2CCN(CC2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127477	418.473	OYWXEKBGBHOVBM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-131621
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(=O)NCc1ccc(F)cc1)CC	PC-id_7623654	418.482	DYJWAJZFMLHIFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131622
CN(CC(O)C(O)C(O)C(O)CO)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338332,MCULE-3699399560	418.483	ZQYQKNAVJSVAKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131623
c1(NC(=O)Cc2ccc(cc2)F)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913353,MCULE-2644089627,PC-id_44053082	418.485	JRIOCPXCRTYFOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131624
CCOC(=O)c1ccc(OC)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328214653,MCULE-9073528756	418.485	VCOCUZDGGDHRSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131625
COc1ccccc1C(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)O	EMOLS-id_328216190,MCULE-7340191937	418.485	WRRFGUBTANSZIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131626
COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215929,MCULE-9117926787	418.485	XVTCUGYQXZZWQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131627
O=C(Cn1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2)NC[C@@H]1CCCO1	PC-id_30862419,ZINC22_23139117,CoCoCo_5277628	418.485	JRIOCPXCRTYFOR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131628
O=C(Cn1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2)NC[C@H]1CCCO1	ZINC22_23139120,CoCoCo_5277629,PC-id_30862422	418.485	JRIOCPXCRTYFOR-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131629
O=C(Nc1c(OCC)ccc(OCC)c1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861282	418.485	ZNGYRDBJCRVJQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131630
O=C(Nc1c(OCC)ccc(OCC)c1)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52340414	418.485	ZNGYRDBJCRVJQF-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131631
O=C(Nc1c(OCC)ccc(OCC)c1)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52340415	418.485	ZNGYRDBJCRVJQF-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-131632
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)c1occc1)C(=O)OC	PC-id_8059985	418.487	CSYQHGPZMGQSRM-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-131633
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(ccc(S(=O)(=O)C)c1)C)C#N	PC-id_16518166	418.487	JRTIFMNBTRRYKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131634
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(ccc1)C(=O)OC)C(=O)OC	PC-id_17175544	418.487	XDDGRMXRZSAQMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131635
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_17178480	418.487	CFYDZGFUBSRTIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131636
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)CCc3ccccc3OC)C2)n1	EMOLS-id_316332849,MCULE-8641245506	418.488	CDIOUTQENHTEAQ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-131637
c1(C(=O)NCc2ccccc2)cc2n(CC(NC(=O)CCc3ccccc3OC)C2)n1	MCULE-4420750555	418.488	CDIOUTQENHTEAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131638
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3ccc(cc3)OCC)Cc12	EMOLS-id_316256247,MCULE-1345383118	418.488	KBZZCCRXORHSCQ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-131639
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCc3ccc(cc3)OC)Cc12	EMOLS-id_316319031,MCULE-5881070412	418.488	MQPPNBMTEVODKM-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-131640
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CCc3cccc(OC)c3)Cc12	EMOLS-id_316255735,MCULE-2221709700	418.488	OELHDORDRCOYAP-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-131641
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3ccc(cc3)OCC)Cc12	MCULE-5965403764	418.488	KBZZCCRXORHSCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131642
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCc3ccc(cc3)OC)Cc12	MCULE-5990187809	418.488	MQPPNBMTEVODKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131643
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CCc3cccc(OC)c3)Cc12	MCULE-3335428424	418.488	OELHDORDRCOYAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131644
O=C(c1ccccc1)Nc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)Cc1ccccc1	PC-id_141308579	418.488	XJIRSIXSQPJDRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131645
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CN(C(=O)C1)c1ccccc1	PC-id_92109424	418.488	ZLLUKLJJMFTUGU-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-131646
c1(NC(=O)CSc2nc(C)c(c(=O)[nH]2)CC(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_322525809,MCULE-4553803576	418.49	UCCLJMSFXZLPHA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131647
CCOC(=O)c1c(NC(=O)CSc2nc(c3ccco3)n[nH]2)sc2c1CCC2	CoCoCo_4473685,CoCoCo_4473683,ZINC22_32873559,PC-id_40107980,EMOLS-id_24079386,CoCoCo_4473684,MCULE-5321764828	418.49	ZQIOFGYIIQYCST-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131648
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)C)C(=O)OC	PC-id_16516501	418.49	OIFBFKVAVFLPDV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131649
c1(C(=O)N2CCC(CC2)n2nccc2NC(=O)c2ccccc2C)c2CCCc2[nH]n1	CoCoCo_1505363,MCULE-4423895742,CoCoCo_1505362,PC-id_42518900,ZINC22_12305978,EMOLS-id_20657567	418.492	OTDKPJLLHGJONX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131650
CCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C)C)CCOc1ccc(cc1)OC	PC-id_102010496	418.492	UXPWQQBMMFREDA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-131651
NC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	SCHEMBL1204697,PC-id_58015616	418.492	KEGOAZJPNXLPMP-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131652
OC(C1NC(CC1)Cc1ccc(NC(=O)C2CCn3nnnc23)cc1)c1ccccc1	PC-id_78077973	418.492	ZWFLDRGCCJNZIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131653
O[C@@H]([C@@H]1N[C@@H](CC1)Cc1ccc(NC(=O)C2CCn3nnnc23)cc1)c1ccccc1	PC-id_71468639	418.492	ZWFLDRGCCJNZIX-AJQVQDMVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131654
O=C(Nc1ccccc1)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	SCHEMBL2919570,PC-id_10223775	418.492	CQDMEQLFQUUJAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131655
c1(NC(=O)CSc2nnc(Cn3ccc(C)n3)o2)sc2c(CCC2)c1C(=O)N	PC-id_17023313,EMOLS-id_4100308,CoCoCo_6589462,MCULE-2181325361,ZINC22_2806591	418.493	UKNSSPBYOPJSNS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131656
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1c(occ1)C)C(=O)N	PC-id_24497026	418.493	ZHYOYTIPCDUUHF-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131657
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(Oc2cc(F)ccc2)CC1)C(=O)N	PC-id_51588353	418.505	GHANLVTUBZGUIH-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-131658
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(Oc2c(F)cccc2)CC1)C(=O)N	PC-id_51589462	418.505	XPVDQEVKYLIGGL-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-131659
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386450,MCULE-9935258491	418.507	RAZYMRIRZXGNTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131660
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5200615610,EMOLS-id_334387729	418.507	BQFGOADXWPFYAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131661
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)N	EMOLS-id_2582119,CoCoCo_1890982,MCULE-9618039885,ZINC22_5711966,PC-id_4313075	418.507	FIEHZGUXSQJGHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131662
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4843040076,EMOLS-id_334387986	418.507	AWYCAFXDDAFBQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131663
c1(NC(=O)C(C)Oc2ccc(cc2)O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9476736672,EMOLS-id_334386451	418.507	PJNXIVYOITZMOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131664
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385180,MCULE-1870220467	418.507	ZTDNYXHPWGYBAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131665
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1950291116,EMOLS-id_334392336	418.507	PNKKXNMGPSVHPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131666
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334390803,MCULE-3821047944	418.507	KBIWKAKGKVSUIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131667
CCOC(=O)c1c2C(CCn2c(c1C)C(=O)c1ccc(n1C)SC)C(=O)OCC	SCHEMBL10641188,PC-id_13424018	418.507	IJNMXWVKPCZPFP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-131668
COc1ccc(cc1)CSC1(Cc2c(C1)ncn2C(=O)OC(C)(C)C)C(=O)OC	PC-id_15814395,SCHEMBL7826664	418.507	RFYSLKRODYXWOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131669
OC(=O)Cn1c(C)c(c2c1CCC2)Cc1ccccc1S(=O)(=O)N1CCOCC1	PC-id_45255225,SCHEMBL16497250	418.507	KNUOUIMYBUPCIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131670
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1	PC-id_27684416	418.507	WIQNSUSKEJQUOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131671
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCCC1=O	PC-id_41733035	418.507	VWZJVNBVJPJEHO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131672
s1c2c(CCC2)c(c1NC(=O)CNc1c(cc(OC)c(OC)c1)C)C(=O)OCC	PC-id_9105386	418.507	ZYHUAZMQYJTRFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131673
s1c2c(CCC2)c(c1NC(=O)CNc1c(OCC)ccc(OCC)c1)C(=O)OC	PC-id_24562377	418.507	BPPYDRFJBGQPES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131674
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(C(C)C)c(c1)C)C)C(=O)OC	PC-id_24379420	418.507	ZZQVXVHRXUBROP-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-131675
c1(NC(=O)C=Cc2cccc(c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-2661878042	418.508	DAIGCYFDRYOMRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131676
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_73552058,MCULE-4928758655	418.508	ILRQQKUKEBIVDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131677
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)c2cccnc2)sc2CCCc12	EMOLS-id_328201819	418.508	AXVMFKWJFLLGQC-JLHYYAGUSA-N	00000010100000111000100010000000000000000000000000000000	25-01-131678
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1ccc(c2cccnc2)cc1	MCULE-5806221948	418.508	AXVMFKWJFLLGQC-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-131679
NC(=O)c1c(NC(=O)/C=C/c2cccc(OCc3ccccc3)c2)sc2CCCc12	EMOLS-id_181348462,PC-id_84418173	418.508	DAIGCYFDRYOMRW-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131680
NC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)sc2CCCc12	PC-id_19175280,EMOLS-id_181348377	418.508	ILRQQKUKEBIVDA-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131681
s1c2CCCc2c(c1N=Cc1oc(c2cc(C(=O)OCCCC)ccc2)cc1)C#N	PC-id_50885670	418.508	IBRGPSUEFXZWOI-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-131682
c1(NC(=O)c2ccc(cc2)OC(C)C)c2CSCc2nn1CC(=O)NCCOC	EMOLS-id_24913293,ZINC22_23138980,PC-id_30862299,MCULE-6624320893,CoCoCo_5277581	418.51	ATNXBBJEAXRVEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131683
c1(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccc(cc2)OC)n(C)nc2CCCc12	PC-id_44062372,MCULE-1913214783,EMOLS-id_24910472	418.51	HNQRBYSJRCYEKZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131684
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)n(C)nc2CCCc12	ZINC22_23135733,CoCoCo_5273038,PC-id_30859165,MCULE-6175908761,EMOLS-id_24910444	418.51	VJYHQVHUWYHWTD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131685
c1(NC(=O)Cc2ccc(c(OC)c2)OC)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277536,MCULE-8207255769,PC-id_30862191,ZINC22_23138861,EMOLS-id_24913209	418.51	JARBXLHOECYKJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131686
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c4c(nn3C)CCC4)C2)cc1	PC-id_30859212,ZINC22_23135788,CoCoCo_5273061	418.51	HNQRBYSJRCYEKZ-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131687
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c4c(nn3C)CCC4)C2)cc1	ZINC22_23135790,CoCoCo_5273062,PC-id_30859214	418.51	HNQRBYSJRCYEKZ-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131688
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1noc(c1)C)C(=O)OC	PC-id_45769390	418.51	ZZSZHPCUSZKJIE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131689
s1c2c(CCC2)c(c1NC(=O)CNC1(CCCC1)c1nc(on1)C)C(=O)OCC	PC-id_56358575	418.51	QDOJMTMROYAWNM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-131690
S1Cc2c(nn(c2NC(=O)Cc2ccc(OCC)cc2)CC(=O)NCCOC)C1	PC-id_44053026	418.51	HQUGWXVXUWTCKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131691
S1Cc2c(nn(c2NC(=O)CCc2ccc(OC)cc2)CC(=O)NCCOC)C1	PC-id_44053042	418.51	ZVSJHHMOCKYIMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131692
S1Cc2c(nn(c2NC(=O)COc2ccc(OCC)cc2)CC(=O)NCCC)C1	PC-id_44052909	418.51	LEBOVDLCIVMCDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131693
S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536283	418.51	ACGHZYFWLKFROG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131694
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1csc(n1)c1ccccc1	PC-id_92109269	418.511	XIJVLWADHAFWGB-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-131695
S1Cc2c(nn(c2NC(=O)C=Cc2ccccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053428	418.511	WPXBVYNDVXEBRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131696
CS(=O)(=O)CCNc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)O	PC-id_118628349,SCHEMBL17398077	418.512	XYXQOOVFVCRKFT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131697
CCc1nc(CN2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)no1	MCULE-3266295244,EMOLS-id_42919410,ZINC22_72308644,PC-id_72111353	418.513	KMJLHPMWMVPWIP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131698
CN1C(=CC(=NS1(=O)=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	TIMTEC570064,PC-id_17253851,CoCoCo_2302754,EMOLS-id_17445520,ZINC22_20220031,MCULE-9467758096	418.513	YHPHOGZWFVRQSZ-UHFFFAOYSA-N	00000010100111000001100010000000000000000000000000000000	25-01-131699
s1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)NC(C(CC)C)C(=O)N)(C)C)ccc1	PC-id_73082238	418.513	XBBTWQVINXPHLG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-131700
s1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N[C@@H]([C@H](CC)C)C(=O)N)(C)C)ccc1	PC-id_11742771	418.513	XBBTWQVINXPHLG-GWCFXTLKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-131701
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)NC1CCS(=O)(=O)C1	MCULE-4479293883,PC-id_17012690,TIMTEC300953,EMOLS-id_10105458	418.53	LZLRWEZWWAOBOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131702
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)NC1CCS(=O)(=O)C1	TIMTEC33300,PC-id_17012691,EMOLS-id_10105460,MCULE-6922039478	418.53	AEWZORZSBCHVGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131703
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)NC1CCS(=O)(=O)C1	EMOLS-id_10105448,PC-id_17012678,TIMTEC143917,MCULE-8256682769	418.53	FGFLPWHCJKGWPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131704
c1(NC(=O)CS(=O)CCOc2ccccc2OCC)sc2c(CCC2)c1C#N	MCULE-4283664906,EMOLS-id_320677486	418.53	GWRMZWJFIJRSCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131705
c1(NC(=S)NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_19188402,MCULE-7880258067	418.53	VRRLXPACQUTHNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131706
c1(NC(=S)NC(=O)COc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)OC	MCULE-2136770328,PC-id_2062211	418.53	IZPTWOFEOPLUSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131707
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCCOc1ccc(OC)cc1	EMOLS-id_186629307,MCULE-7032794476	418.53	PPYAJAMDKXHOTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131708
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2	CoCoCo_6329964,PC-id_35042705,ZINC22_27663118	418.53	LZLRWEZWWAOBOE-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131709
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2	CoCoCo_6329965,ZINC22_27663120,PC-id_35042707	418.53	LZLRWEZWWAOBOE-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131710
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1	PC-id_35042677,CoCoCo_6329947,ZINC22_27663082	418.53	FGFLPWHCJKGWPP-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131711
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1	ZINC22_27663084,CoCoCo_6329948,PC-id_35042679	418.53	FGFLPWHCJKGWPP-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131712
Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)cc1	CoCoCo_6329966,ZINC22_27663122,PC-id_35042709	418.53	AEWZORZSBCHVGF-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131713
Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)cc1	ZINC22_27663124,CoCoCo_6329967,PC-id_35042711	418.53	AEWZORZSBCHVGF-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131714
Cc1ccc(SCCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	EMOLS-id_3378925,ZINC22_5937790,MCULE-7245836246,CoCoCo_2981329,PC-id_4783316	418.53	HLGXVSYTMDHZSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131715
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#CCN(Cc1ccccc1)C)C(=O)O	PC-id_57791552,SCHEMBL13786758	418.53	ODZKZGPWFAXHLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131716
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)OC1CCCC1	PC-id_89236382,SCHEMBL14054753	418.53	QLHJWBXWCFXUOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131717
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	EMOLS-id_12011658,MCULE-5900451919,ZINC22_8057362,CoCoCo_3254857,PC-id_9188691	418.53	FKGYNNMTNRPNCM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131718
CCOC(=O)C1CCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OCC)c12	PC-id_2816485,MCULE-8279257292,EMOLS-id_5838945	418.53	VGDRBGDRLFGNEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131719
CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(C)c2OC)sc2c1CCC2	ZINC22_17091495,PC-id_22777044	418.53	YFWXUIBTDZMSIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131720
COc1ccc(cc1OC)C[N@@H+]([C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	GD-id_ZINC08531941,PC-id_40759537	418.53	GYSCWESUYHMYNM-GFCCVEGCSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131721
COc1cccc(c1OC)C[N@@H+]([C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	GD-id_ZINC08533828	418.53	UYKGFVAIHQGHGH-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131722
s1c2CCCc2cc1C(=O)NN=C(c1cc(c(OC)cc1)CSCC(=O)O)C	PC-id_78698527	418.53	XVYHFWGPZIDGLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131723
s1c2CCCc2cc1C(=O)N/N=C(c1cc(c(OC)cc1)CSCC(=O)O)/C	PC-id_8441239	418.53	XVYHFWGPZIDGLH-MTJSOVHGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131724
s1c2CCCc2cc1C(=O)NNC(=O)CSCc1c(OC)ccc(c1)C(=O)C	PC-id_24540854	418.53	UCLFJEMBQWBDNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131725
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(=O)Nc1c(SC)cccc1)C	PC-id_7623657	418.53	WTKVOSCEPWVBPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131726
s1c2c(CCC2)c(c1NC(=O)c1ccc(SCC)cc1)C(=O)NC(=O)OCC	PC-id_7579351	418.53	JMTVWAXJPUTDJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131727
s1c2c(CCC2)c(c1NC(=O)c1ccc(SC(C)C)cc1)C(=O)NC(=O)OC	PC-id_41147718	418.53	ZQPQULJIIBGIPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131728
s1c2c(CCC2)c(c1NC(=O)c1cc(SCC)ccc1)C(=O)NC(=O)OCC	PC-id_7578953	418.53	GJDYQHKIIYSSTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131729
s1c2c(CCC2)c(c1NC(=O)c1cc(SC(C)C)ccc1)C(=O)NC(=O)OC	PC-id_41147179	418.53	XGMSMCBLWFPPLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131730
s1c2c(CCC2)c(c1NC(=O)c1c(SCC)cccc1)C(=O)NC(=O)OCC	PC-id_7578572	418.53	MHMRDQRAWRCXMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131731
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC)cc1)C(=O)NC(=O)OCC	PC-id_41126480	418.53	IRLKILFQMAKZDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131732
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SCC)cc1)C(=O)NC(=O)OC	PC-id_41139512	418.53	AILIVXLWABTUHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131733
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccccc1)C(=O)NC(=O)OC	PC-id_41085968	418.53	MJSRIQVXITTWHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131734
s1c2c(CCC2)c(c1NC(=O)CCSc1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_7521499	418.53	KBGRWZLRBWCVKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131735
s1c2c(CCC2)c(c1NC(=O)CCSc1ccccc1)C(=O)NC(=O)OCC	PC-id_7521567	418.53	IBWGAHHJZIONRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131736
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1cc(OC)c(OC)cc1)C)C)C(=O)N	PC-id_40759535	418.53	GYSCWESUYHMYNM-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131737
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H](Sc1ccccc1)C)C)C(=O)N	PC-id_8979930	418.53	DUSSAPNPPVBFPC-NWDGAFQWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131738
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@H](Sc1ccccc1)C)C)C(=O)N	PC-id_8979933	418.53	DUSSAPNPPVBFPC-VXGBXAGGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131739
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H](Sc1ccccc1)C)C)C(=O)N	PC-id_8979940	418.53	DUSSAPNPPVBFPC-RYUDHWBXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131740
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@@H](Sc1ccccc1)C)C)C(=O)N	PC-id_8979947	418.53	DUSSAPNPPVBFPC-NEPJUHHUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131741
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CSc1c(cccc1)C)C)C(=O)N	PC-id_8395253	418.53	DNNBTYQZHKXWCX-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131742
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(cc(OC)c(OC)c1)C)C)C(=O)N	PC-id_8551087	418.53	NVNGZFVHZBAHIN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131743
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1cc(OC)c(OC)cc1)C)C)C(=O)N	PC-id_74719367	418.53	GYSCWESUYHMYNM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131744
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(OC)c(OCC)cc1)C)C(=O)N	PC-id_8798793	418.53	WDQDVXFZUFGAJH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131745
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCc1cc(OC)c(OC)cc1)C)C(=O)N	PC-id_8586958	418.53	NORKEMXBCNUYLI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131746
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(Sc1ccccc1)C)C)C(=O)N	PC-id_24498399	418.53	DUSSAPNPPVBFPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131747
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1cc(c(cc1)C)C)C(=O)N	PC-id_7352568	418.53	RZZGPIYKMRCYMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131748
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1c(cc(cc1)C)C)C(=O)N	PC-id_7352815	418.53	YSDCCKBHKHALED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131749
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1c(ccc(c1)C)C)C(=O)N	PC-id_7788539	418.53	ARLLHJZYDXGHRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131750
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CSc1c(cccc1)C)C)C(=O)N	PC-id_78684528	418.53	DNNBTYQZHKXWCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131751
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSCc1ccc(cc1)C)C(=O)N	PC-id_7773178	418.53	PMKNLDSANURRIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131752
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_7521572	418.53	ZUUMWBWEPQKIPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131753
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(NC(=O)C)cc1)C(=O)OCC	PC-id_8114905	418.53	OSTGSFFGQFERKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131754
s1c2c(CCC2)c(c1NC(=O)CSCc1ccccc1)C(=O)NC(=O)OCC	PC-id_41576705	418.53	CWWCCINSVGNGIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131755
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCC)C(=O)OC	PC-id_20413930	418.53	MIUDBAWHDALAGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131756
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OC(C)C)C(=O)OC	PC-id_20414088	418.53	AJKRZARLEXFCSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131757
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCC)cc1)C(=O)OCC	PC-id_4948866	418.53	DVSDOKPGMMHQMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131758
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCC)cc1)C(=O)OC	PC-id_4938809	418.53	FGNAGWBSAIAKCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131759
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1)C(=O)OC	PC-id_4952192	418.53	IHPKIIIQOKIDJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131760
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCC)ccc1)C(=O)OCC	PC-id_4957633	418.53	CFSAFDOHYIHRIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131761
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OC(C)C)ccc1)C(=O)OC	PC-id_17142650	418.53	ROPFNVBFXUEDHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131762
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCC)ccc1)C(=O)OC	PC-id_4960268	418.53	RPZKEXGTGAQUNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131763
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCC)cccc1)C(=O)OCC	PC-id_4926722	418.53	WZUFNPURTHMNHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131764
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OC(C)C)cccc1)C(=O)OC	PC-id_17045784	418.53	OGCICDDGAZXUPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131765
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCC)cccc1)C(=O)OC	PC-id_4948606	418.53	NKCATYZIXHLYTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131766
s1c2c([C@H](CC2)C(=O)OCC)c(c1NC(=S)Nc1ccccc1)C(=O)OCC	PC-id_6976276	418.53	VGDRBGDRLFGNEF-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131767
s1c2c([C@@H](CC2)C(=O)OCC)c(c1NC(=S)Nc1ccccc1)C(=O)OCC	PC-id_6976277	418.53	VGDRBGDRLFGNEF-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131768
c1(NC(=S)NNC(=O)c2ccc(cc2)N(C)C)sc2c(CCC2)c1C(=O)OC	MCULE-6438613223,PC-id_4508310,CoCoCo_6797541,EMOLS-id_4100438,TIMTEC262298	418.533	KIGOTOJZRHQWCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131769
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)Cc1noc(c1)C)C)C(=O)N	PC-id_51620051	418.533	WXOKOHJMFGSCBF-ZDUSSCGKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-131770
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)Cc1noc(c1)C)C)C(=O)N	PC-id_51620053	418.533	WXOKOHJMFGSCBF-CYBMUJFWSA-O	00000010100010000001000010000000000000000000000000000000	25-01-131771
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1sccc1)C(=O)N	PC-id_31990064	418.533	DEBKBNSPFHTEPM-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-131772
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)Cc1noc(c1)C)C)C(=O)N	PC-id_75687520	418.533	WXOKOHJMFGSCBF-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-131773
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)CC(=O)N1CCOCC1)C#N	PC-id_30616096	418.533	DPLQVWQTZXUFFO-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-131774
s1c2CCCc2c(c1NC(=O)COC(=O)c1nc(sc1)NCCC(C)C)C#N	PC-id_8447219	418.533	FAZVNRAHTCXWQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131775
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC=C)C(=O)OC	PC-id_19726886	418.533	PZONPFQLRWLFNM-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-131776
CC(Oc1ccc(cc1)NC(=NCc1ccccc1C)NCc1nnc2n1CCC2)C	PC-id_111860262	418.535	HJCIFCLOQOWUEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131777
s1c2CCCc2c(c1NC(=O)CSc1n(c(N2CCOCC2)nn1)CC)C#N	PC-id_8838294	418.536	NVMJVBCIIHHTDJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-131778
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)NC1CCCCC1	SCHEMBL20339092,TIMTEC289451,MCULE-9956799663,PC-id_17377340,EMOLS-id_4100474	418.55	LMMIJIBZCJXJOF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131779
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832293,PC-id_27525484,ZINC22_17091529	418.55	LMMIJIBZCJXJOF-CABCVRRESA-N	00000010100010000000000010000000000000000000000000000000	25-01-131780
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832296,ZINC22_17091528,PC-id_27525482	418.55	LMMIJIBZCJXJOF-HUUCEWRRSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131781
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27525478,CoCoCo_6832294,ZINC22_17091526	418.55	LMMIJIBZCJXJOF-LSDHHAIUSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131782
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27525480,CoCoCo_6832295,ZINC22_17091527	418.55	LMMIJIBZCJXJOF-GJZGRUSLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131783
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C(=O)N1CCCC1)C	PC-id_45663352	418.55	UWASNMHBHOSZQJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131784
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCCCC1	PC-id_45663381	418.55	HWUNPECRBYRMMZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131785
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC1CCCC1	PC-id_45663374	418.55	LMVBOEINPXYEAX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131786
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C(=O)N1CCCC1)C	PC-id_41733060	418.55	UWASNMHBHOSZQJ-AWEZNQCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131787
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C(=O)N1CCCC1)C	PC-id_41733062	418.55	UWASNMHBHOSZQJ-CQSZACIVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131788
c1(NC(=O)c2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331055,MCULE-4827547409	418.551	KXSATSOEIZBAQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131789
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331050,MCULE-1840432563	418.551	KVVOVGSVAMBXNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131790
c1(NC(=O)c2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8522669131,EMOLS-id_334331305	418.551	SRFVCHJSPHPAIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131791
c1(NC(=O)Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331052,MCULE-7790238902	418.551	NZBRUABCWWSKPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131792
c1(NC(=O)C(C)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330796,MCULE-5053206573	418.551	NDLOOKRIFSACME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131793
c1(NC(=O)CCc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4802052676,EMOLS-id_334331562	418.551	PPPSHRUXRWHFJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131794
Cc1sc(c2ccccc2S(=O)(=O)C)cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_56675683,CHEMBL1821938	418.553	OCRQIMGNVFLHGA-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-131795
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O	EMOLS-id_27353825,ZINC22_14623257,CoCoCo_3292641,MCULE-4785939816,PC-id_26185218	418.553	OWFURWMPXRFCNB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131796
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NCCCOC)C#N	PC-id_56525652	418.553	HPEIZZJQXSSKCV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131797
s1c2c(CCC2)c(c1NC(=O)CCN1CCCN(CC1)C(=O)OCC(C)C)C#N	PC-id_56360723	418.553	WTCCFBCYPLVTKA-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-131798
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(NC(=O)OC(C)(C)C)CC1)C#N	PC-id_56524926	418.553	OOAPRRULWPMOPF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131799
s1c(C(=O)N(C2CCCC2)C2C(N(CCCC)C(=O)NC2=O)N)cc2c1CCC2	PC-id_73392602	418.553	FNQYYQYWVJANBV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131800
CCN(CC)c1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324903438	418.554	AOZVJKXAOVLBFL-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131801
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)CCc1ccc(cc1)C	MCULE-5585217363	418.554	AOZVJKXAOVLBFL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131802
CSC(CN(C)C)CNC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1ccnc(n1)C	PC-id_68317328,SCHEMBL12560608	418.559	KSVBMXKORKDBNK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131803
Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c(C)c1	MCULE-8442764370,ZINC22_7805550,CoCoCo_3309337,EMOLS-id_43838654,PC-id_8924888	418.573	NYKNDJPBBAMCRR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131804
CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc3c(s2)CCC3)CC1	MCULE-9575689760,EMOLS-id_43643658,ZINC22_58295868,PC-id_71882474	418.573	MMOALMPGPUAWQP-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-131805
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1nc(sc1)CC	PC-id_18208746	418.573	VTYCAXXIVFOQND-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131806
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(SC)cc1)C)C(=O)OCC	PC-id_2699913	418.573	INFXGKDXNZZLSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131807
s1c2c(CCC2)c(c1NC(=S)Nc1cc(C(C)(C)C)ccc1OC)C(=O)OC	PC-id_20413055	418.573	UDGJMJOPHYJZRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131808
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1ccc(cc1)CCC	PC-id_9154989	418.573	WSUIYSAAFDNGNQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131809
s1c2CCCc2cc1C(=O)Nc1ccc(N2CC[NH+](CC2)Cc2ccccc2)cc1	PC-id_9163458	418.574	FKWLECNCWGWZKC-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-131810
Cc1nc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n(C2CCCC2)c1C	EMOLS-id_11819784,MCULE-2956468398,ZINC22_9882643,CoCoCo_3938215,PC-id_16369826	418.576	IQXLSXYEWBAWOK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-131811
S1CCN(C(=O)C2N(CCC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)CC1	PC-id_56541993	418.576	NUXMIGSWBHBTMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131812
CC1CCC(CC1)NCc1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC2	PC-id_135200314,SCHEMBL20353894	418.593	SOHJSPJCQCAADL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-131813
c1(Cl)cc(Cl)c(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(c1)Cl	EMOLS-id_327891184,MCULE-5649742025	418.722	OXUGIYJHTSXMGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131814
c1(NC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_19171025,MCULE-6581478859,EMOLS-id_327942740	418.722	XFOYDKSONSBDGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131815
FC(F)(F)c1ccc(Cl)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328218750,MCULE-7581330378	418.839	OHLZYTOHMWSOCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131816
FC(F)(F)c1cc(Cl)ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7429948793,EMOLS-id_328222578	418.839	JNOHTNDWDZYHRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131817
FC(F)(F)c1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)ccc1Cl	EMOLS-id_328217207,MCULE-1567441267	418.839	NBBGIVULQDINFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131818
O=C(NC12CC(C1)(C2)NC(=O)c1cc2n(n1)CCC2)COc1ccc(c(c1)F)Cl	SCHEMBL19555875	418.849	VCFBWXHKCGPFKV-UHFFFAOYSA-N	00001010100000110001001010000000000000000000000000000000	25-01-131819
Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4CCCc34)cc2)nn1	EMOLS-id_335134659,MCULE-8365154279	418.857	LRZLOADLVYAOMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131820
c1(NC(=O)c2c(cccc2Cl)F)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340773,MCULE-3716475791	418.869	GWYRRPLEVQWEDS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-131821
COc1ccc(/C=N/c2c(C#N)c3n(c2C(=O)Nc2ccc(Cl)cc2)CCC3)cc1	PC-id_45112439,CHEMBL582998	418.876	SCMGUPFTPLCEFV-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-131822
CC(=NN1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1ccc(cc1)Cl	SCHEMBL5537028,PC-id_87851501	418.877	YKSROWHWDFPKTP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131823
Clc1ccc(cc1)/C(=N/N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])/C	SCHEMBL5537023	418.877	YKSROWHWDFPKTP-KWJZBXMYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131824
Clc1c(ccc(c1)C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_78683126	418.894	HLQTXAOMJUIGRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131825
Clc1c(ccc(c1)/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_8389257	418.894	HLQTXAOMJUIGRP-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131826
Clc1ccc(C=CC(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_74656495	418.894	FMXHPXZLWQSBIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131827
Clc1ccc(/C=C/C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_37290901	418.894	FMXHPXZLWQSBIL-PFEDMVJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131828
Clc1ccc(/C=C/C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_37290902	418.894	FMXHPXZLWQSBIL-HUYFXPKMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131829
Clc1c(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cccc1	PC-id_7521578	418.894	FFQIVVPOGWIQRT-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131830
Clc1c(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cccc1	PC-id_78495713	418.894	FFQIVVPOGWIQRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131831
Clc1ccc(OC(C)(C)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_7951018	418.894	DGESWTIWFXCEII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131832
Clc1cc(c(OCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(c1)C)C	PC-id_8631275	418.894	KYEMBGZRGNREMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131833
NC(=O)c1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CC2)sc2c1CCC2	EMOLS-id_24964455,PC-id_8589270,CoCoCo_3115251,MCULE-2896592790,ZINC22_7491330	418.894	FAFNUYLBXBVZGQ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-131834
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCC1CCCCC1	MCULE-9998344716	418.897	YSZYILOOANPVKN-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-131835
[O-][N+](=O)c1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)ccc1Cl	EMOLS-id_324906503	418.897	YSZYILOOANPVKN-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-131836
COCCn1cc2CN(Cc2n1)C(=O)Nc1c(ccc(n1)c1ccc(s1)Cl)N	PC-id_137495459,SCHEMBL20738409	418.9	FDFSXIJXRYVIES-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-131837
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2scc(n2)C)cc1	PC-id_16947450	418.92	SYALZJRFKXKBEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131838
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)CC1CCOCC1	SCHEMBL20353884,PC-id_135200307	418.937	HIRFSVOOAKPBNN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-131839
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334379,PC-id_19114623,MCULE-7850245369	418.937	VFYLKPZHVZVCPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131840
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1671040430	418.937	VMPTUURREFDJRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131841
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4003380198	418.937	TUOVLCUBIPEFEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131842
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3880098281	418.937	CBSZIOYYYLWDAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131843
CCOC(=O)c1c(NC(=O)C2CCCN2c2ccc(Cl)cc2)sc2CCCc12	MCULE-1804591194,EMOLS-id_328115613	418.937	IGLKQAXNECYOGZ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-131844
Clc1ncc(COC(=O)c2c3CCCc3sc2NC(=O)C2CCCCC2)cc1	PC-id_18283313	418.937	GPYXKACWKHHNID-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-131845
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2CCCc12	EMOLS-id_334387221	418.937	TUOVLCUBIPEFEN-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131846
COCCCNC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2CCCc12	EMOLS-id_334387732	418.937	CBSZIOYYYLWDAA-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131847
COCCCNC(=O)c1c(NC(=O)/C=Cc2ccc(Cl)cc2)sc2CCCc12	EMOLS-id_334385685	418.937	VMPTUURREFDJRQ-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131848
c12SCCn1cc(CNC(=O)C1CCC(=O)N(CCc3ccc(cc3)Cl)C1)n2	EMOLS-id_20709445,PC-id_45242872,MCULE-6575291080	418.94	UYCKXRXXRJSEKC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131849
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)Cl)C2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5530905,MCULE-6762233550,PC-id_18562014	418.94	GFWFWNQUKSZHAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131850
CC(C)(C)n1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CSC2	PC-id_7483996,CoCoCo_5065559,ZINC22_5077214	418.94	GFWFWNQUKSZHAH-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131851
CC(C)(C)n1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CSC2	ZINC22_5077212,CoCoCo_5065560,PC-id_7483994	418.94	GFWFWNQUKSZHAH-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131852
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_8530444	418.94	TYUPFUUMCBZELF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131853
NC(=O)c1c(NC(=O)CN2CCN(c3ccccc3Cl)CC2)sc2c1CCC2	CoCoCo_3371734,EMOLS-id_43858538,PC-id_8528402,ZINC22_36329909,MCULE-3884179093,CoCoCo_3371735	418.94	IZIXBSPHEWTXSZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131854
O=C(NCc1cn2c(n1)SCC2)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1	PC-id_42197567,CoCoCo_1584743,ZINC22_11820335	418.94	UYCKXRXXRJSEKC-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131855
O=C(NCc1cn2c(n1)SCC2)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1	ZINC22_11820336,CoCoCo_1584742,PC-id_42197568	418.94	UYCKXRXXRJSEKC-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131856
Clc1ccccc1C1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3491205802,EMOLS-id_328340112	418.958	NOSANYSYJYCPQG-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-131857
c1(c2CCCc2sc1NCc1cccs1)C(=O)Nc1c(OC)ccc(Cl)c1	BAS-03715681,MCULE-5496813930,EMOLS-id_1439585,SPECS-id_AE-848/42024882,ZINC22_4155145,PC-id_3148513,CoCoCo_306051	418.96	JJVOFIAZWAFAQV-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-131858
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCCCC2)cc1	PC-id_7381326	418.96	QFYUMQHALXRUKL-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-131859
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3)SC4=CN(N=C4)CC(F)F	PC-id_164872028	419.123	YJZIYSBQIYUGBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131860
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3)SC4=NN(C=C4)CC(F)F	PC-id_164872101	419.123	KITYZRBKBTYZJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131861
CCCc1ccc2n1CCN2Cc1c(cc(cc1Cl)C(=NOC1CCNC1)N)F	PC-id_164151305	419.189	ZEXFUNZQBBVPQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131862
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)N	PC-id_160961909	419.196	WWTHKLOCRHSYHU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131863
CCC1=CC(=C(C=C1C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)CC5CC5)N)F)O	PC-id_154689190	419.212	NKUIZXHRSQBEOM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-131864
CN1CC(C1)CN2C3=C(CN(C3)C(=O)CC4=C(C=CC(=C4)C5=CC=C(C=C5)F)N)C=N2	PC-id_160181185	419.212	PEHGSTUUTJKDSK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-131865
c1(C(=O)Nc2sc3c(CCC3)c2C#N)n(C)nc(C(F)(F)F)c1Br	CoCoCo_6578696,EMOLS-id_4101070,PC-id_4768750,TIMTEC590657,MCULE-4659545973,ZINC22_2776666	419.22	ZEPXMLZZNACGHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131866
Brc1nc2n(c1C)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140263742	419.236	GVQJOLRHNFQDEF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131867
Brc1nc2n(c1C)CC(O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261671	419.236	GVQJOLRHNFQDEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131868
CC1=C2CCC(C2=NN1)NC(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CC(C5)(C)C)C	PC-id_153404031	419.243	IQOWFIBYLYPQPG-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-131869
CC1CCN(C1)C2=NC(=C(C=C2)CN3C=C(N=C3)C(=O)NC4CCC5=C(NN=C45)C)C	PC-id_153404063	419.243	SQSZIAZGOOIYDG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-131870
CC1CCN(C1)C2=NC(=C(C=C2)CN3C=C(N=C3)C(=O)N[C@@H]4CCC5=C(NN=C45)C)C	PC-id_154963999	419.243	SQSZIAZGOOIYDG-JANGERMGSA-N	00000010100000101001100010000000000000000000000000000000	25-01-131871
CN=C(NCc1nnc2n1CCC2)NCc1cc(Cl)cc(c1OC(F)F)Cl	PC-id_109663301	419.257	AJEFKTHXUADVGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131872
Ic1scc(C(=O)Nc2sc3c(CCC3)c2C(=O)O)c1	PC-id_79685158	419.258	MGHSCKFOFULSDO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-131873
Brc1cc(OCc2oc(C(=O)Nc3sc4CCCc4n3)cc2)ccc1	PC-id_52646626	419.292	CZFFKJCUQDHSKP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131874
c1(C#N)c2CCCc2sc1N=Cc1cc(OC)c(cc1Br)OC(=O)C	PC-id_4071885,MCULE-2736966364	419.292	UZYZRSMBRCWBDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131875
COc1cc(/C=N/c2sc3c(c2C#N)CCC3)c(Br)cc1OC(=O)C	PC-id_9645329,ZINC22_16321803,TIMTEC493307	419.292	UZYZRSMBRCWBDM-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131876
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Nc1ccc(c(c1)Cl)Cl	PC-id_92109566	419.304	BGOILDFFYJIHRX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131877
N#Cc1nc2n(c1C(F)(F)F)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261709	419.321	ITQBJHVEPLPVLJ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131878
C(C(F)(F)F)(C(F)(F)F)(NC(=O)OCC)Nc1sc2c(CCC2)c1C(=O)N	EMOLS-id_6772128,CoCoCo_1743931,ZINC22_4177322,MCULE-8826678840,PC-id_621493	419.343	ZDUSJUFOYSZEBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-131879
COc1ccc(c(c1)[N+](=O)[O-])C(=O)Nc1c2CN(C(c2nn1C(=O)O)(C)C)C(=O)O	SCHEMBL4705048,PC-id_69153515	419.346	ONMZOMQCHAVKNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131880
FC(F)(F)c1ccc(c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_50913045,SCHEMBL1227766	419.354	YLVQZTKLHNULPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131881
NCCc1nnc2n1[nH]c(c2NC1(N)C(=Nn2c1nnc2CCO)C(=O)O)C(=O)O	PC-id_70158867,SCHEMBL7671614	419.355	DMSYUXHMYMQENZ-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-131882
Brc1ccc([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)CC)cc1	PC-id_9440489	419.359	DHGUJPOHCCSFTA-INIZCTEOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131883
Brc1ccc([C@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)CC)cc1	PC-id_9440492	419.359	DHGUJPOHCCSFTA-MRXNPFEDSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131884
Brc1ccc(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C#N)CC)cc1	PC-id_85009780	419.359	DHGUJPOHCCSFTA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-131885
CCC(Cc1cccc(c1)Br)CNC(=NC)NCc1nnc2n1CCC2	PC-id_111791742	419.362	MRWCVVQLAZEHRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131886
O=C(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)C)C1)c1ccc([N+](=O)[O-])cc1	PC-id_71453331	419.39	WLQUNFXQNLBHCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131887
O=C(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)C)C1)c1cc([N+](=O)[O-])ccc1	PC-id_71451356	419.39	PJDSZJCNOFNGMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131888
O=C(Nc1n[nH]c2c1CN(C2)C(=O)c1ccco1)Cc1ccc(cc1)n1ccoc1=O	PC-id_139982982	419.39	VLARSTYSSWRBFZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-131889
c1(CN(Cc2ccco2)C(=O)c2ccc(cc2)OC(F)(F)F)c2CCCc2n(C)n1	EMOLS-id_50145252,MCULE-1401819040,PC-id_86266539	419.397	NEDYECXOIBNTTM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131890
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C)C(=O)Nc1cc(c(c(c1)F)F)F	PC-id_134302795,SCHEMBL19920506	419.397	BZBAJIZZJPXGIE-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-131891
N#Cc1nc2n(c1C(=O)C1CC1)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261674	419.397	AUTNVNXDRPWWAZ-HNNXBMFYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-131892
O=C(c1ccccc1OC(F)(F)F)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109532	419.397	RNSVQJWJGYBBRA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131893
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1cccc(c1)OC(F)(F)F	PC-id_92109533	419.397	XRHRXZOLDVTIDM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131894
c1(NC(=O)Cn2c3CCCc3c(C(F)(F)F)n2)c(C)n(n(c2ccccc2)c1=O)C	EMOLS-id_1359745,PC-id_1129763,MCULE-7625519935,TIMTEC208963,CoCoCo_225003,ZINC22_869837,BAS-01939680	419.4	IBBQOCSPBYPISL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131895
Fc1ccc(cc1)COC(=O)N1CCN(CC1)C[C@@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69635336,SCHEMBL6010792	419.407	QBUASUDRFHCIMD-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131896
Fc1ccc(CC2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc1	PC-id_69635344	419.407	SRBRBHZRBFSABY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131897
Fc1ccc(C[C@H]2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc1	PC-id_69635349	419.407	SRBRBHZRBFSABY-NYRJJRHWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131898
Fc1ccc(COC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77712967	419.407	QBUASUDRFHCIMD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131899
O=C([C@@H]1NCCN(C1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])OCc1ccc(cc1)F	PC-id_141620010	419.407	XPLDJDUIRQAJEB-NYRJJRHWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131900
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_328071651,PC-id_1684190,MCULE-1465942805	419.408	WEFWLMJKZXRTPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131901
CCOC(=O)c1c(NC(=O)c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])sc2CCCc12	MCULE-6263595659,EMOLS-id_327988902	419.408	QKDVPRNHVULLQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131902
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1[N+](=O)[O-]	PC-id_4969627,CoCoCo_2959171,ZINC22_12639881,MCULE-5770079924,EMOLS-id_15239436	419.408	SERCIWHUQDJXOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131903
s1c2c(CCC2)c(c1NC(=O)Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_24101782	419.408	PGHNGMMFNKZLPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131904
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N)cc1)C(=O)OC	PC-id_24362758	419.408	UVOQEXRMKZTTLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131905
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CCN(CC(F)(F)F)C(=O)C3)nc12	ZINC22_1875346269	419.419	YHMIKVVXEKZQDA-NXEZZACHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131906
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3CCN(CC(F)(F)F)C(=O)C3)nc12	ZINC22_1875346270	419.419	YHMIKVVXEKZQDA-UWVGGRQHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131907
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3CCN(CC(F)(F)F)C(=O)C3)nc12	ZINC22_1875346271	419.419	YHMIKVVXEKZQDA-VHSXEESVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131908
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3CCN(CC(F)(F)F)C(=O)C3)nc12	ZINC22_1875346272	419.419	YHMIKVVXEKZQDA-ZJUUUORDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-131909
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)(C)CO)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20253035,PC-id_134599126	419.422	ZIIGKRVRFUUPFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131910
Fc1cc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CC(O)CCC2)(C)C)cc(F)c1	PC-id_10025070	419.425	SVQQKTPFJTYHJP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-131911
NC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)sc2c1CCC2	EMOLS-id_43771966,PC-id_4850943,MCULE-3690329733,ZINC22_13135159,CoCoCo_3066925	419.427	YPXQJRKUMUUZRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131912
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1c(F)cccc1)C(=O)N	PC-id_4655938	419.427	URRGKXGYHXGFTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131913
CCOC(=O)n1nc(c2c1CN(C2)NC(=O)c1ccccc1)NC(=O)c1ccccc1	PC-id_141308577	419.433	IKHTWTVKGQSDMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131914
O=C1N(CCC1)c1ccc(CC(=O)Nc2n[nH]c3c2CN(C3)C(=O)c2occc2)cc1	PC-id_68441276,SCHEMBL2920426	419.433	VEEQQJSJWBFXAD-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-131915
O=C(Nc1n[nH]c2c1CN(C2)C(=O)c1ccco1)Cc1ccc(cc1)C1CCNC1=O	PC-id_141251758	419.433	TYQNHKWNFDIONX-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-131916
CCOC(=O)c1c(NC(=O)c2c(C)[nH]n3c([N+](=O)[O-])c(C)n[n+]23)sc2c1CCC2	PC-id_135497383,ZINC22_12413889	419.435	NUYBQJCATJCVEP-UHFFFAOYSA-O	00000010100000000001000110000000000000000000000000000000	25-01-131917
CCOC1=Nn2c(C1(N)Nc1c(OCC)[nH]n3c1nnc3CCN)nnc2CCO	SCHEMBL7672359,PC-id_70159074	419.442	SCZJXBCHNGHQBW-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-131918
NCCc1nn2c(n1)c(c([nH]2)OCC)NC1(N)C(=Nn2c1nc(n2)CCO)OCC	SCHEMBL7668095	419.442	VJNCTMOAZCNDRA-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-131919
O(C1=Nn2nc(nc2C1(Nc1c2n([nH]c(n2)CCN)nc1OCC)N)CCO)CC	PC-id_70157901	419.442	JSFCEYKAYCYIBU-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-131920
Cc1c(n2CCCc2c1C(=O)C(=O)NC1CSC1)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19920704,PC-id_134302986	419.445	OHVNPHOYMLHRMU-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-131921
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1c(cccc1OC)OC)C(=O)OC	CHEMBL1565340,ChEMBL-DNDi_CHEMBL5969738,SPECS-id_AT-225/NB59780,STOCK2S-64616,ChEMBL-DNDi_CHEMBL1565340,MCULE-1829871286,EMOLS-id_603277,TIMTEC128408,PC-id_2879066	419.448	DOYCIISALCHSSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131922
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(c(OC)c1)OC)C(=O)OC	MCULE-3324475628,SPECS-id_AT-225/NB60172,BAS-01292110,STOCK2S-56615,SPECS-id_AF-399/13428133,ChEMBL-DNDi_CHEMBL5959236,PC-id_2789261,EMOLS-id_604049	419.448	PHJLSGMPOHKPHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131923
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)OC	BAS-03753322,MCULE-7259876434,STOCK3S-45320,EMOLS-id_1439875,PC-id_2791638	419.448	JLGWBTKVJPDDRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131924
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)OC)C(=O)OC	PC-id_2787428,BAS-01293176,EMOLS-id_1088848,SCHEMBL8290475,ChEMBL-DNDi_CHEMBL2798-0045,SPECS-id_AF-399/13428018,MCULE-8701265233,STOCK2S-61099	419.448	VEWOVLOKPMFJGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131925
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cccc(OC)c1)C(=O)OC	MCULE-8050874555,PC-id_19204058	419.448	DGLYQIYDBGCODS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131926
COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_187523,ZINC22_622591,PC-id_978703	419.448	PHJLSGMPOHKPHM-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-131927
COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_622590,PC-id_978702,CoCoCo_187524	419.448	PHJLSGMPOHKPHM-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131928
COC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_306272,PC-id_1167083,ZINC22_921129	419.448	JLGWBTKVJPDDRE-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131929
COC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_921127,PC-id_1167081,CoCoCo_306273	419.448	JLGWBTKVJPDDRE-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131930
COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_723564,ZINC22_622294,PC-id_978484	419.448	DOYCIISALCHSSA-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131931
COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1[C@@H](C(=O)OC)CC2	PC-id_978485,CoCoCo_723563,ZINC22_622296	419.448	DOYCIISALCHSSA-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-131932
COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_187644,ZINC22_729918,PC-id_1051229	419.448	VEWOVLOKPMFJGY-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131933
COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744138,CoCoCo_187643,PC-id_1553454	419.448	VEWOVLOKPMFJGY-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131934
s1c2CCCc2cc1C(=O)OCC(=O)Nc1oc(c(c1C(=O)OCC)C(=O)C)C	PC-id_7704455	419.448	SNUBRWYRRYZLLN-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-131935
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cc(=O)oc1C)C)C(=O)OCC	PC-id_24533787	419.448	MVYYVEKUSRRERQ-UHFFFAOYSA-N	00000010100000100000000010000000000000000000000000000000	25-01-131936
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)cc(OC)c1)C(=O)OC	PC-id_16523560	419.448	YKWUEDOARNBIRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131937
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC)cc1)C(=O)OC	PC-id_16524974	419.448	QBJORAMHNRSHLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131938
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cccc1OC)C(=O)OC	PC-id_16523499	419.448	DVCKNXKBWGCDCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131939
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(OC)cc1)C(=O)OC	PC-id_16523436	419.448	PCAKEDBOTJUYDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131940
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)cc(OC)cc1)C(=O)OCC	PC-id_8491881	419.448	PYJQTJFOXSELPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131941
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)c(OC)ccc1)C(=O)OC	PC-id_16523374	419.448	ZJYPBEHQOKVWSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131942
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)c(O)c(cc1)C)C(=O)OCC	PC-id_56428561	419.448	RLYOEBBYCUYVHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131943
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)c(OC)ccc1)C(=O)OCC	PC-id_45634167	419.448	UVWFREASZYHISP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131944
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(OC)cc1)C(=O)OC	PC-id_41450152	419.448	WOLBQZDFYLLMCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131945
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(OC)cccc1)C(=O)OC	PC-id_41565415	419.448	VUUVKAUSQZKWCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131946
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)C)Nc1nc(C)ccc1F	SCHEMBL16624979,PC-id_117999658	419.45	RMRXAZRBVGGIIL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-131947
CN/N=C(c1ccccc1C=O)/Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2C)F	PC-id_144658080	419.451	LDHGMCBFYBVQQK-MEFGMAGPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131948
NCCCN1CCn2c1c(cn2)NC(=O)c1nc(sc1N)c1c(F)cccc1F	SCHEMBL2526979,PC-id_58465040	419.452	LPLJBSVQUCSLKF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131949
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)c1occc1)C)C)C(=O)N	PC-id_8738144	419.452	BDIBPVMVXDBWEI-UWVGGRQHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-131950
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@@H](NC(=O)c1occc1)C)C)C(=O)N	PC-id_8738145	419.452	BDIBPVMVXDBWEI-VHSXEESVSA-N	00000010101000000000000010000000000000000000000000000000	25-01-131951
s1c2c(CCC2)c(c1NC(=O)CNc1c(OC)ccc([N+](=O)[O-])c1)C(=O)OCC	PC-id_9079891	419.452	WNWJCEJBGAYFST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131952
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(CCC)c(=O)cc1)C(=O)OC	PC-id_30548450	419.452	PSHRGCWMLCMEHQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131953
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(NC(=O)c1occc1)C)C)C(=O)N	PC-id_84826013	419.452	BDIBPVMVXDBWEI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-131954
COc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OC(=O)C	ZINC22_27021616,EMOLS-id_45970132	419.453	JVPJCJZFAUXQSE-YOAWELAASA-N	00000000100000110001000010000000000000000000000000000000	25-01-131955
COc1ccc(cc1)/C=C/c1nc2n(n1)c(=O)/c(=C/c1cccc(c1)OC(=O)C)/s2	ZINC22_9191681,STOCK4S-32306,EMOLS-id_206973422	419.453	IMIAIFBKNQEICI-SSZQZOOLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131956
n12nc(nc1sc(=Cc1ccc(cc1)C(=O)OC)c2=O)C=Cc1ccc(cc1)OC	MCULE-6615734953	419.453	QTVJAUUPWWTNTE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131957
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-6790221604	419.453	IMIAIFBKNQEICI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131958
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-9249917322	419.453	FJOLUSNZUAPDAO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131959
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)C=Cc1ccccc1	MCULE-6210166948	419.453	JVPJCJZFAUXQSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-131960
c1(NC(=O)COc2nonc2CC(=O)N(CC)CCO)sc2CCCc2c1C#N	MCULE-8328466552,EMOLS-id_333691176	419.455	KKQITORUWISWOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131961
c1(NC(=O)COc2nonc2CC(=O)NCCCOC)sc2CCCc2c1C#N	MCULE-1309490229,EMOLS-id_333682527	419.455	OWFTUQUBJJZCFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131962
c1(NC(=O)COc2nonc2C(=O)NCCCCCO)sc2CCCc2c1C#N	MCULE-6222619719,EMOLS-id_333713725	419.455	HZBRSTBEUSQYNA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131963
c1(NC(=O)COc2nonc2C(=O)NCCCOCC)sc2CCCc2c1C#N	EMOLS-id_333713467,MCULE-3432268292	419.455	JRRZBXXFROEQQX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131964
S1Cc2c(nn(c2NC(=O)c2c(c([N+](=O)[O-])ccc2)C)CC(=O)NCCOC)C1	PC-id_44053008	419.455	FKVKIIGHUGRCQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131965
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])c(cc2)C)CC(=O)NCCOC)C1	PC-id_44053009	419.455	QWLGRMJOINUWAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131966
S1Cc2c(nn(c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCCOC)C1	PC-id_44053028	419.455	OMYCHJNIYWWCBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131967
c1(NC(=O)COc2cccnc2NC(=O)c2cccnc2)sc2c(CCC2)c1C#N	EMOLS-id_321806204,MCULE-3801070388	419.456	RBCNFJYMHCNARI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-131968
c1(NC(=O)COc2cccnc2NC(=O)c2ccncc2)sc2c(CCC2)c1C#N	MCULE-1933492949,EMOLS-id_321802365	419.456	KONSWMRZUOUDAP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-131969
s1c2c(CCC2)c(c1Nc1nc(NCC2OCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787943	419.458	OYMMJTLNCNUQFY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131970
s1c2c(CCC2)c(c1Nc1nc(NC[C@H]2OCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127482	419.458	OYMMJTLNCNUQFY-QMMMGPOBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131971
s1c2c(CCC2)c(c1Nc1nc(NC[C@@H]2OCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127483	419.458	OYMMJTLNCNUQFY-MRVPVSSYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-131972
c1(c(C)n(nc1C)CC)S(=O)(=O)NCCCn1c2CCCc2c(C(F)(F)F)n1	MCULE-5442036594,ZINC22_36614738,TIMTEC508714,PC-id_19614595,EMOLS-id_8869252	419.465	VRFJGJWAPWIFMV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131973
c1(c(C)n(nc1C)CC)S(=O)(=O)NCCCn1nc2c(CCC2)c1C(F)(F)F	EMOLS-id_8869076,TIMTEC300715,MCULE-9288328682,ZINC22_36614653,PC-id_19614511	419.465	LZEVGAJGCPBNBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-131974
COc1ccc(cc1F)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109641	419.47	JKYOXKGPJRWLCC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131975
COc1ccc(cc1S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)F	PC-id_92109612	419.47	WLEZPXCLTDVKPR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-131976
COC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)sc2c1CCC2	CoCoCo_3589232,ZINC22_16634145,CoCoCo_3589233,MCULE-7987323100,EMOLS-id_24970778,PC-id_27251420	419.47	UANXSXQIXLPSRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131977
CCc1ncc(c(n1)Nc1nn(c2c1C(C)N(C2)C(=O)C1(F)CCN(CC1)C)C)F	SCHEMBL16618019,PC-id_117993690	419.471	CNTVAYQNNKDYAU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-131978
CCc1ncc(c(n1)Nc1nn(c2c1CN(C2C)C(=O)C1(F)CCN(CC1)C)C)F	PC-id_117993688,SCHEMBL16618017	419.471	VQFAJDWDZLQDCN-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-131979
CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1	BindingDB-id_546060,BindingDB_PC-id_59333935,PC-id_59333935,SCHEMBL3322926	419.471	MOBUJXWKOUHXMO-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-131980
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ccccc1OC(F)F	PC-id_111921587	419.471	KUJCFXMADABEFN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-131981
COc1ccc(C(=O)c2c(NC(=O)CCCOc3ccccc3)nc3n2CCC3)cc1	PC-id_75478359,MCULE-1486157900,EMOLS-id_48838244,ZINC22_95943466	419.473	OTCOUWDBLBHGHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131982
COc1ccc(C(=O)c2c(NC(=O)COc3cc(C)ccc3C)nc3n2CCC3)cc1	MCULE-4425174706,PC-id_75458118,EMOLS-id_48838246,ZINC22_95943467	419.473	SMIMXQREVTVJKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131983
c1(NC(=S)NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	CoCoCo_96739,EMOLS-id_1243996,PC-id_1555746,MCULE-6555473858,ZINC22_1749364,BAS-00570378,TIMTEC283788	419.475	LGDYHZGGDFTWSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131984
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1cccn1C)C(=O)O	PC-id_91336138	419.475	VSSZZQBEZCHLFZ-UHFFFAOYSA-O	00000011110000000001000010000000000000000000000000000000	25-01-131985
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(NS(=O)(=O)C)cccc1)C#N	PC-id_16519140	419.475	RYTKFMIUYCZMNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-131986
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1occc1)C(=O)OCC	PC-id_4107377	419.475	GBKHYCPEXOJMHW-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131987
c1(C(=O)N2CCN(CC2)c2cccc(OC)c2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-2064865719,EMOLS-id_316328242	419.476	ZSJYQXMMQSADHS-NRFANRHFSA-N	00000010100010111001100010000000000000000000000000000000	25-01-131988
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CCc3ccccc3OC)Cc12	MCULE-5693868206,EMOLS-id_316319036	419.476	YBGNFVKOXSXZIZ-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131989
c1(C(=O)NCc2cccnc2)cnn2CC(NC(=O)CCc3ccccc3OC)Cc12	MCULE-1140513925	419.476	YBGNFVKOXSXZIZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131990
COc1cccc(c1)N1CCN(CC1)C(=O)c1nn2c(c1)CC(C2)Oc1ccncc1	MCULE-6623271310	419.476	ZSJYQXMMQSADHS-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-131991
O1C(CN2CCN(CC2)Cc2ccc(cc2)c2ccccc2)Cn2c1nc([N+](=O)[O-])c2	PC-id_69479059,SCHEMBL5534534	419.476	JMVBZRFHDCNEEF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131992
O1[C@@H](CN2CCN(CC2)Cc2ccc(cc2)c2ccccc2)Cn2c1nc([N+](=O)[O-])c2	SCHEMBL5534527,PC-id_69479057	419.476	JMVBZRFHDCNEEF-NRFANRHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131993
O1[C@H](CN2CCN(CC2)Cc2ccc(cc2)c2ccccc2)Cn2c1nc([N+](=O)[O-])c2	SCHEMBL5548049,PC-id_69483055	419.476	JMVBZRFHDCNEEF-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131994
O=C(C1CCCCC1C(=O)c1ccc(cc1)c1n[nH]c(c1)C)Nc1cnn2c1OCC2	PC-id_140898160	419.476	ZUZOBAHKVBKQSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131995
O=C([C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)c1[nH]nc(c1)C)Nc1cnn2c1OCC2	SCHEMBL18378300,BindingDB_PC-id_124189423	419.476	ZUZOBAHKVBKQSG-QZTJIDSGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-131996
COc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3Cc4c[nH]nc4C3)cs2)cc1	EMOLS-id_320373148,PC-id_145900354,MCULE-4453224574,ZINC22_1875404298	419.478	DCFCUYQPUGSJIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-131997
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1occc1)C(=O)OC	PC-id_45642138	419.478	AZWPSINGZYLZSR-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-131998
O[C@@H]([C@@H]1N[C@@H](CC1)Cc1ccc(NC(=O)C2n3nnnc3CC2)cc1)c1cccnc1	PC-id_44466906	419.48	UOBCEYBWSSWNFC-GPXSZDCPSA-N	00000010100000111001000010000000000000000000000000000000	25-01-131999
s1c2c(CCC2)c(c1Nc1nc(N2CC[NH+](CC2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127476	419.481	OYWXEKBGBHOVBM-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-132000
c1(C(=O)OCC)c2CCCc2sc1NCC(=O)c1cc(OC)c(c(OC)c1)OC	MCULE-6301626668,PC-id_19166698	419.491	INJNHPQEYRXPOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132001
c1(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2365541,PC-id_1354620,ZINC22_1194615,CoCoCo_4966747,MCULE-4069708647	419.493	HOHGYZDPHFKKSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132002
c1(NC(=O)c2ccccc2C(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-4803674572,EMOLS-id_327817260,PC-id_19165736	419.493	LJUNSPIGQSXNCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132003
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-1084004175,EMOLS-id_320641274	419.493	FBYIYJXWBWOYTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132004
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_16505583	419.493	BVDWQAJUPFKUNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132005
s1c2CCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_7623572	419.493	BVDWQAJUPFKUNL-JOCHJYFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132006
s1c2CCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_7623574	419.493	BVDWQAJUPFKUNL-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132007
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(F)cc1	PC-id_16923839	419.493	ZFFXLNAECAIHGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132008
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCNC1=O	PC-id_45663329	419.495	HGPFSUYMYOABGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132009
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CN(C2CCCC2)C(=O)C1)C(=O)N	PC-id_78691739	419.495	ALCXEJLPTRPCCN-UHFFFAOYSA-N	00000010100000000000100010000000000000000000000000000000	25-01-132010
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(n(nc1C)C)C)C(=O)OCC	PC-id_55476750	419.495	ULEMRRREIKFCCN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132011
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1CN(C2CCCC2)C(=O)C1)C(=O)N	PC-id_8422731	419.495	ALCXEJLPTRPCCN-LLVKDONJSA-N	00000010100000000000100010000000000000000000000000000000	25-01-132012
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1CN(C2CCCC2)C(=O)C1)C(=O)N	PC-id_8422732	419.495	ALCXEJLPTRPCCN-NSHDSACASA-N	00000010100000000000100010000000000000000000000000000000	25-01-132013
c1(c2CCCc2sc1N=Cc1cccnc1)C(=O)Nc1ccc(cc1)C(=O)OCC	MCULE-8744403038,PC-id_7333872	419.496	YVNNMRHFGZTGEE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132014
c1(NC(=O)c2ccccc2NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-7057222093,EMOLS-id_334334672	419.496	SBXCIKJNPLLPPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132015
c1(NC(=O)c2ccc(nc2C)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	MCULE-6733822527,EMOLS-id_322859496	419.496	OZLDLKKNECKYRH-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-132016
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331632066,MCULE-4339102801	419.496	JXYGJMWFGBVLRH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132017
CCc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1	ZINC22_27022075,EMOLS-id_45970306	419.496	GVNBITQVUXXGOG-MGFARZDGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132018
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324916490	419.496	XWSXXQFVBBOUDH-HKNOJCFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132019
CCCOc1ccc(/C=c/sc3nc(/C=C/c4ccc(OC)cc4)nn3c2=O)cc1	ZINC22_16779418	419.496	LNECWDWMLMSZSN-QOSRDPBLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132020
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)cc4)nn3c2=O)cc1	ZINC22_27022215,EMOLS-id_45970350	419.496	LNECWDWMLMSZSN-KOAZRBSPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132021
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1OC	EMOLS-id_324922368	419.496	ILETZARIGJAIGM-MGFARZDGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132022
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_45970422,ZINC22_27022423	419.496	PJCGSTBTJVASCG-ZTSFSLTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-132023
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC	ZINC22_16735653,EMOLS-id_45964881	419.496	FKYKHJPUZKUZEQ-MGFARZDGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132024
CCOC(=O)c1ccc(cc1)NC(=O)c1c(/N=Cc2cccnc2)sc2c1CCC2	CoCoCo_6250548	419.496	YVNNMRHFGZTGEE-QFEZKATASA-N	00000010100000111000000010000000000000000000000000000000	25-01-132025
CCOC(=O)c1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccnc2)cc1	EMOLS-id_46388755,ZINC22_4723894,CoCoCo_6250547,PC-id_16469650	419.496	YVNNMRHFGZTGEE-AFUMVMLFSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132026
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-5311627570	419.496	GVNBITQVUXXGOG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132027
n12nc(nc1sc(=Cc1ccc(cc1)OCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-3611178175	419.496	LNECWDWMLMSZSN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132028
n12nc(nc1sc(=Cc1ccccc1OCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-9547400931	419.496	RPFPQEJOGORLCN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132029
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)C=Cc1ccc(cc1)C	MCULE-6712312584	419.496	FKYKHJPUZKUZEQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132030
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)C=Cc1ccccc1	MCULE-2599964960	419.496	PJCGSTBTJVASCG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132031
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)C=Cc1ccccc1	MCULE-5658884437	419.496	XWSXXQFVBBOUDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132032
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-2723518283	419.496	ILETZARIGJAIGM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132033
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)c2ccccc2)c(cc1)C	PC-id_46411342	419.496	FBPXINQKAHLMGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132034
s1c2CCCc2cc1C(=O)OCC(=O)Nc1n(c(c(c1C#N)C)C)c1ccccc1	PC-id_16592370	419.496	DYJJOQXAJYNWAG-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-132035
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(n2c(ccc2C)C)cc1)C#N	PC-id_24346699	419.496	GCQAOWCAMGAUKJ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-132036
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_16947577	419.496	QPCICXQXZOMZDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132037
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2nnc3n2CCC3)cc1	ZINC22_32873621,EMOLS-id_25007867,MCULE-7461496716,PC-id_40108041,CoCoCo_4474376	419.498	ZWELECFHQHLTMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132038
CC(C)[C@H](NC(=O)CC(=O)Nc1nccs1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_1875261758	419.501	WWRRYOKANISXOX-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132039
CC(C)[C@@H](NC(=O)CC(=O)Nc1nccs1)C(=O)N(C)Cc1nnc2n1CCC2	ZINC22_1875261759	419.501	WWRRYOKANISXOX-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132040
CCCCC(=O)C(CCN1C(CC)Cn2c1cc(n2)OCc1ccc(c(c1)F)F)C	PC-id_145002920	419.508	XMFFEBBBCGWHOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132041
s1c2c(CCC2)c(c1NC(=O)C(N(CCCOc1ccc(F)cc1)C)C)C(=O)N	PC-id_46444934	419.513	WOSKGPQVRKFCEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132042
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CSc1ccc(cc1)C)C(=O)OC	MCULE-5019546826,PC-id_19204343	419.514	ORIMMPOVPBEDND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132043
s1c2CCCc2cc1C(=O)OCC(=O)c1sc(CC(=O)N2CCOCC2)cc1	PC-id_7487819	419.514	DCDAGGNEILTTHV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-132044
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc2CCCc2c1)C(=O)OCC	PC-id_3986975	419.514	PVEYRQNRNDBJMD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132045
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCSc1ccccc1)C(=O)OC	PC-id_40632513	419.514	IVTLLQAHZUELPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132046
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](Sc1ccccc1)C)C(=O)OC	PC-id_41731658	419.514	ZKAPPASIFIGBCB-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132047
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](Sc1ccccc1)C)C(=O)OC	PC-id_41731661	419.514	ZKAPPASIFIGBCB-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132048
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1c(cccc1)C)C(=O)OC	PC-id_42966300	419.514	RAAKZZCDHQBLTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132049
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(Sc1ccccc1)C)C(=O)OC	PC-id_45663027	419.514	ZKAPPASIFIGBCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132050
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1ccccc1)C(=O)OCC	PC-id_3980396	419.514	ZWQWZMSMJAHLQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132051
S1(=O)(=O)C[C@H](N(c2ccccc2)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_7238729	419.514	REHNOCXMXJQMRL-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132052
S1(=O)(=O)C[C@@H](N(c2ccccc2)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_7238730	419.514	REHNOCXMXJQMRL-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132053
S1(=O)(=O)CC(N(c2ccccc2)C(=O)COC(=O)c2sc3CCCc3c2)CC1	PC-id_78464098	419.514	REHNOCXMXJQMRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132054
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)COC(=O)c1sc2CCCc2c1	PC-id_7623683	419.514	CLLUUZOCQXCLPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132055
c1(CN(Cc2ccco2)C(=O)C2(CCOCC2)c2ccccc2)c2CCCc2n(C)n1	MCULE-9049005695,EMOLS-id_50145250,PC-id_86266538	419.516	RMFWWYPIVAWLBH-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-132056
CC1CC(CC(=C)N1CCCn1c(=O)n2CCSc2n1)OCc1c(nccc1)F	SCHEMBL13760644,PC-id_89164252	419.516	FNAYAELOBINKDI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-132057
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c(CCC2)c1C(=O)N	ZINC22_16004368,EMOLS-id_13322819,MCULE-4780691390,PC-id_23876516,CoCoCo_673081	419.518	JHKLBXBEWHRXLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132058
c1(NC(=S)NNC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4101612,TIMTEC234420,PC-id_4508604,MCULE-9322755754,CoCoCo_6797580	419.518	JDKUSDSSQXFWKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132059
c1(NC(=S)NNC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	MCULE-8317263748,PC-id_4508440,EMOLS-id_4101610,CoCoCo_6797558,TIMTEC451324	419.518	SLDPUCMBWXRTAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132060
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)C(=O)c1ccco1	Chemmine_18314,EMOLS-id_2317323,TIMTEC85327,ZINC22_1119396,CoCoCo_992843,PC-id_1296382,MCULE-5283474444	419.518	BSRGXMQGZMFNLU-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-132061
CCCOc1c[nH]c(cc1=O)CS(=O)CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_123123465	419.518	CLGYLRKOIICSHN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132062
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(nc1)OC1CSCC1	PC-id_92085804	419.518	PFHUZFGPNZHLRJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-132063
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cccnc1OC1CSCC1	PC-id_92086586	419.518	LACFTDLRTJIDBJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-132064
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccnc(c1)OC1CSCC1	PC-id_92086188	419.518	AJWUXLRVPOTQGU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-132065
CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)N	CoCoCo_5200669,MCULE-3980279132,EMOLS-id_24900343,ZINC22_10099454,PC-id_41363952	419.518	NPBKAGSOZMMOMO-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-132066
COC(=O)NCCCn1nc(c2c1CCC2)[C@H](N(C(=O)[C@@H]1OCCNC1)C1CC1)C	PC-id_118313736,SCHEMBL17013633	419.518	XNWLSNDVOIQJDC-RDTXWAMCSA-N	00100010100010000001000010000000000000000000000000000000	25-01-132067
NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	PC-id_17566064,MCULE-2443177536,EMOLS-id_13498973,CoCoCo_4218696,ZINC22_14169205	419.518	HCDZGBRNDNIUJF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132068
NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc2c1CCC2	EMOLS-id_3224698,CoCoCo_3218608,PC-id_2116619,MCULE-6045078657,ZINC22_2653234	419.518	ZUCFQWLEIZQGKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132069
O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3440032,MCULE-2928224624,PC-id_25661387,EMOLS-id_43876299	419.518	KYVSKCBLAFGNDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132070
O=C(C1CCCN1S(=O)(=O)c1ccccc1)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_44081584,MCULE-9421542544,PC-id_47023938	419.518	GAEFCPQIFQLINE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132071
O=C(CN(S(=O)(=O)/C=Cc1ccccc1)C)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3831705	419.518	RQVIZMUSKOVCKS-KHPPLWFESA-N	00000010100000110000000010000000000000000000000000000000	25-01-132072
O=C(CN(S(=O)(=O)C=Cc1ccccc1)C)NNC(=O)c1sc2c(c1)CCC2	MCULE-6649913362,PC-id_72073782	419.518	RQVIZMUSKOVCKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132073
O=C(CN(S(=O)(=O)/C=C/c1ccccc1)C)NNC(=O)c1sc2c(c1)CCC2	PC-id_17493901,CoCoCo_3831704	419.518	RQVIZMUSKOVCKS-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132074
O=C(N1CCC(CC1)CCN1Cc2n(C1=O)c(nc2C)C)[C@H](NC(=O)O)C(C)(C)C	PC-id_68647173,SCHEMBL3449738	419.518	IYJHALKLPAHVKE-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132075
O=C(N1CCC(CC1)CCN1Cc2n(C1=O)c(nc2C)C)C(NC(=O)O)C(C)(C)C	PC-id_23138313	419.518	IYJHALKLPAHVKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132076
s1c2c(CCC2)c(c1NC(=O)CN(C(c1ccccc1)c1ccccc1)C)C(=O)N	PC-id_8730413	419.539	OLNPOESSROURCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132136
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1noc(c1)C)C(=O)OC	PC-id_51907642	419.518	ZZSZHPCUSZKJIE-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-132077
s1c2c(CCC2)c(c1NC(=O)C(SC1=NC(=O)C(=C)C(=N1)C)C)C(=O)OCC	PC-id_78497283	419.518	GTKFSBWTPZQCCM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-132078
S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_27684435	419.518	HDXKRNHRJDPWSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132079
S(=O)(=O)(N1[C@H](CCC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1ccccc1	PC-id_52299084	419.518	GAEFCPQIFQLINE-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132080
S(=O)(=O)(N1[C@@H](CCC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1ccccc1	PC-id_52299086	419.518	GAEFCPQIFQLINE-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132081
S(=O)(=O)(NC1CC1)c1cc(c(cc1)C)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_46520176	419.518	OLEYVMSFQYZBNF-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-132082
c1(C(=O)NCCCN(CC)Cc2ccccc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316322617,MCULE-7654422281	419.519	BHNIRELORBJMDE-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132083
CCN(Cc1ccccc1)CCCNC(=O)c1cc2n(n1)CC(C2)Oc1cccnc1	MCULE-7305186011	419.519	BHNIRELORBJMDE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132084
CN(C(=O)c1n[nH]c2c1CCC2)C(Cc1ccccc1)CCNC(=O)c1cccn1C	PC-id_67247215,SCHEMBL2012204	419.519	ZZJLBUNICPPVFR-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-132085
CN(C(=O)c1n[nH]c2c1CCC2)[C@@H](Cc1ccccc1)CCNC(=O)c1cccn1C	PC-id_144202525	419.519	ZZJLBUNICPPVFR-GOSISDBHSA-N	00000010110000110001000010000000000000000000000000000000	25-01-132086
COc1cccc(c1)c1n[nH]c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109697	419.519	OOHIPGXGTCWDEX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132087
COc1ccccc1c1n[nH]c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109869	419.519	LTDMCJQKVDQGIS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132088
N#Cc1ccccc1Sc1ccccc1C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_45867512,CoCoCo_4637833,EMOLS-id_29995789,MCULE-3142314512	419.519	QJKFNMRXGVBEES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132089
N#Cc1c(NC(=S)NC(=O)/C=C/c2ccc(c3ccccc3)o2)sc2c1CCC2	PC-id_17335657,ZINC22_57312823	419.519	KOMJVRXXAJZCTN-ZRDIBKRKSA-N	00000010101000110000100010000000000000000000000000000000	25-01-132090
O=C([C@@H]1CCc2n1ncc2)NC1=CCC(C=C1)C[C@@H]1CC[C@@H](N1)[C@@H](c1cccnc1)O	PC-id_143872753	419.519	BQIJCKADWHHZPT-CIWLGISJSA-N	00000010100011101001000010000000000000000000000000000000	25-01-132091
s1c2CCCc2c(c1NC(=S)NC(=O)C=Cc1oc(c2ccccc2)cc1)C#N	PC-id_73382876	419.519	KOMJVRXXAJZCTN-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-132092
Cc1nc2scc(C)n2c1/C=c/1sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O	EMOLS-id_324917774	419.523	GVICDYAPYROIGW-OAXSMGAZSA-N	00000000100000110001000110000000000000000000000000000000	25-01-132093
CC(C)CCC(c1ccc(cc1)C(F)(F)F)n1c(cc2c1C(CC2)CC=O)C(C)C	PC-id_88273291	419.523	RZJDQCPYRUAVSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132094
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)C=Cc1ccc(cc1)C	MCULE-7834032135	419.523	GVICDYAPYROIGW-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-132095
O=CCC1CCc2c1n(c(c2)C(C)C)[C@H](c1ccc(cc1)C(F)(F)F)CCC(C)C	SCHEMBL8276478	419.523	RZJDQCPYRUAVSQ-BPARTEKVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132096
C=C[C@H](c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)ccs2)CC(=O)O	PC-id_122524906,SCHEMBL18058894	419.536	WUMCVMCGSOZVLJ-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132097
CCOC(=O)c1c(NC(=O)C(Cc2ccccc2)c2ccccc2)sc2CCCc12	MCULE-1998845307,EMOLS-id_327935016	419.536	GIGBXEBVGYCDOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132098
s1c2CCCc2cc1C(=O)OC(C(=O)N(Cc1ccccc1)Cc1ccccc1)C	PC-id_22831016	419.536	KUQHPIUACCTOAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132099
s1c2CCCc2cc1C(=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1	PC-id_7238984	419.536	LJSOJKHZJXCAIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132100
s1c2CCCc2cc1C(=O)OCC(=O)NCCC(c1ccccc1)c1ccccc1	PC-id_7238744	419.536	BFLHFSBLFNFTLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132101
s1c2c(CCC2)c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_4135719	419.536	VBYKCIXEYVVGKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132102
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(F)cc1)C(=O)OC	PC-id_19654405	419.536	DDAXSSKCNLAWCM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132103
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1c(F)cccc1)C(=O)OC	PC-id_19654936	419.536	JBYOVWQSJXWFGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132104
c1(NC(=O)C2CC(=O)N(C(C)C)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335656,MCULE-8854797221	419.538	JDJUNPFIUJXTJG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132105
COc1ccc(cc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)OC	PC-id_92110014	419.538	AGDMDHJRPHCYRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132106
COc1cc(OC)ccc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110056	419.538	LNXPJTORIDNSEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132107
c12c(CCC1C(=O)NCCCc1ccccc1)sc(NC(=O)c1ccc(cc1)C)n2	EMOLS-id_12347157,PC-id_16947548,MCULE-1316968895	419.539	VJBQJOMLUUDXKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132108
c1(c2CCCc2sc1N=Cc1ccc(cc1)N(C)C)C(=O)Nc1ccccc1OC	PC-id_7328715,MCULE-6371252120	419.539	IXWMZPJZHUCBRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132109
c1(c2CCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1cccc(C)c1	PC-id_3707546,ZINC22_57311678,EMOLS-id_2785864,CoCoCo_6724290,TIMTEC507545,MCULE-5709839538	419.539	VPXIGMBLMDLDBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132110
c1(NC(=O)C(=Cc2ccc(cc2)OC(C)C)c2ccccc2)n(C)nc2CSCc12	MCULE-4654929668	419.539	IRFUGXYQZZFTOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132111
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324873221	419.539	JQYDWUSJQKDCHB-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132112
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)c1	EMOLS-id_324881418	419.539	TWZDDBNZEWWSFV-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132113
Cc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)c1C	EMOLS-id_324875272	419.539	WBUSISCHZJEZAI-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132114
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCCCc2ccccc2)cc1	CoCoCo_5124824,PC-id_40946061,ZINC22_9132181	419.539	VJBQJOMLUUDXKE-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132115
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCCCc2ccccc2)cc1	CoCoCo_5124825,ZINC22_9132180,PC-id_40946060	419.539	VJBQJOMLUUDXKE-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-132116
CCc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)c1	EMOLS-id_324888582	419.539	DWBHLBAWGRITMT-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132117
CCc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1	EMOLS-id_324883469	419.539	WZYPSBOVSDQSNT-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132118
CC(C)(C)c1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324849908	419.539	HAUAPVQFXJJHPQ-SILNSSARSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132119
CC(C)Oc1ccc(/C=C(/C(=O)Nc2c3CSCc3nn2C)c2ccccc2)cc1	EMOLS-id_334564280	419.539	IRFUGXYQZZFTOG-DEDYPNTBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132120
C[C@@H](NCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(c2ccccc2)cc1	CoCoCo_3592605,ZINC22_12914310,PC-id_25599972	419.539	RWOWDCUHWFDXHU-OAHLLOKOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132121
C[C@H](NCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(c2ccccc2)cc1	ZINC22_12914314,CoCoCo_3592606,PC-id_25599977	419.539	RWOWDCUHWFDXHU-HNNXBMFYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132122
COc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1ccc(cc1)N(C)C	CoCoCo_6250405,EMOLS-id_46388661,PC-id_16469625,ZINC22_4711440	419.539	IXWMZPJZHUCBRM-MFKUBSTISA-N	00000010100000110000000010000000000000000000000000000000	25-01-132123
COc1ccccc1NC(=O)c1c(/N=Cc2ccc(cc2)N(C)C)sc2c1CCC2	CoCoCo_6250406	419.539	IXWMZPJZHUCBRM-MYYYXRDXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132124
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCCOc1ccccc1	MCULE-2437254827	419.539	HAUAPVQFXJJHPQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132125
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1ccc(cc1)CC	MCULE-4631364099	419.539	WZYPSBOVSDQSNT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132126
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1c(C)cccc1C	MCULE-2152558442	419.539	JQYDWUSJQKDCHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132127
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1cccc(C)c1C	MCULE-4919359556	419.539	WBUSISCHZJEZAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132128
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1cc(C)ccc1C	MCULE-9047592869	419.539	TWZDDBNZEWWSFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132129
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1cccc(CC)c1	MCULE-9438720467	419.539	DWBHLBAWGRITMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132130
NC(=O)c1c(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)sc2c1CCC2	EMOLS-id_3155346,ZINC22_6566343,CoCoCo_3564512,PC-id_3883354,MCULE-2789290338	419.539	ZLCKAZAPZXLNNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132131
O=C(Nc1sc2c(c1C(=O)N)CCC2)CNC(c1ccc(cc1)c1ccccc1)C	EMOLS-id_16726534,MCULE-1027270551,PC-id_17517366	419.539	RWOWDCUHWFDXHU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132132
s1c2c(CCC2)c(c1NC(=O)[C@@H](NC(c1ccccc1)c1ccccc1)C)C(=O)N	PC-id_9445917	419.539	GPCOKLWLJITBHC-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132133
s1c2c(CCC2)c(c1NC(=O)[C@H](NC(c1ccccc1)c1ccccc1)C)C(=O)N	PC-id_9445921	419.539	GPCOKLWLJITBHC-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132134
s1c2c(CCC2)c(c1NC(=O)C(NC(c1ccccc1)c1ccccc1)C)C(=O)N	PC-id_24506625	419.539	GPCOKLWLJITBHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132135
s1c2c(CCC2)c(c1NC(=O)CNC(c1ccc(cc1)C)c1ccccc1)C(=O)N	PC-id_84999927	419.539	ZLWIIXFMIDJIEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132137
s1c2c(CCC2)c(c1NC(=O)CN[C@@H](c1ccc(cc1)C)c1ccccc1)C(=O)N	PC-id_9393442	419.539	ZLWIIXFMIDJIEJ-JOCHJYFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132138
s1c2c(CCC2)c(c1NC(=O)CN[C@H](c1ccc(cc1)C)c1ccccc1)C(=O)N	PC-id_9393452	419.539	ZLWIIXFMIDJIEJ-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132139
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(cc(cc1C)C)C	PC-id_16947606	419.539	DPJONDQBWLMKPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132140
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(C(C)C)cc1	PC-id_16947560	419.539	YHAYQSGQYCJGSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132141
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(CCCC)cc1	PC-id_16947083	419.539	SNKMIGRAMMUODS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132142
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NC(CCc1ccccc1)C	PC-id_16947071	419.539	BFODMTOFVAHZLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132143
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)NC2CC2)CC1	CoCoCo_4230224,PC-id_30625906,CoCoCo_4230223,ZINC22_22789291	419.541	DNXYITRLNYTGPX-LBPRGKRZSA-N	00100010100010000001000010000000000000000000000000000000	25-01-132144
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)NC2CC2)CC1	PC-id_30625913,CoCoCo_4230225,ZINC22_22789297,CoCoCo_4230226	419.541	DNXYITRLNYTGPX-GFCCVEGCSA-N	00100010100010000001000010000000000000000000000000000000	25-01-132145
O=C(CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)NC1CC1	EMOLS-id_11806353,MCULE-9481889636,PC-id_16361098	419.541	DNXYITRLNYTGPX-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-132146
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)CC(=O)N1CCOCC1)C#N	PC-id_9327907	419.541	DPLQVWQTZXUFFO-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-132147
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)NCc2sccc2)ccc1	PC-id_33040869	419.541	HPYARWBXQRDALY-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-132148
s1c(NC(=O)[C@@H]([NH+]2CC[NH+](CC2)Cc2noc(c2)C)C)c(c2c1CCC2)C(=O)N	PC-id_9452640	419.541	WXOKOHJMFGSCBF-ZDUSSCGKSA-P	00000010100010000001000010000000000000000000000000000000	25-01-132149
s1c(NC(=O)[C@H]([NH+]2CC[NH+](CC2)Cc2noc(c2)C)C)c(c2c1CCC2)C(=O)N	PC-id_9452642	419.541	WXOKOHJMFGSCBF-CYBMUJFWSA-P	00000010100010000001000010000000000000000000000000000000	25-01-132150
s1c(NC(=O)C([NH+]2CC[NH+](CC2)Cc2noc(c2)C)C)c(c2c1CCC2)C(=O)N	PC-id_85013355	419.541	WXOKOHJMFGSCBF-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-132151
Cc1nn(c2ccccc2)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-4860295617,EMOLS-id_3658617,ZINC22_7989182,PC-id_9118573,CoCoCo_3851268,CoCoCo_3851269	419.542	MXQNOOWUHRQXLJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132152
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)Cc1sccc1)C(=O)N	PC-id_16607407	419.544	VFDDHZQSCCHCRI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-132153
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)C)C(=O)N	PC-id_41623488	419.544	OKEZSOMKWWFUIO-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-132154
FCCOc1ccc(c(c1)OC)CNC(=O)c1sc(c2c1C[C@H]([C@H]2C(C)C)C)C	PC-id_143171833	419.553	KJFNDSGOTNVMGC-JLTOFOAXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132155
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)OCC	PC-id_41086428	419.557	UYRDWWCXYUXRQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132156
c1(NC(=O)C2(CCCCC2)c2ccc(cc2)S(=O)(=O)C)n(C)nc2CSCc12	PC-id_134699839,MCULE-9638313740,EMOLS-id_316171452,ZINC22_1529113824	419.561	JXBBKAYYGNCPBD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132157
c1(sc2c(CCC2)n1)NC(=O)[C@H]1CC[C@@H](CC1)CNS(=O)(=O)c1ccccc1	MCULE-7406220705,EMOLS-id_323478064	419.561	MJCJDMFWERMDTD-SHTZXODSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132158
CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(n1)CCC2	MCULE-7028854932,PC-id_16328730,EMOLS-id_3683511	419.561	IUHDHCDUFQXQCO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132159
CC1CC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_45853078,MCULE-7894775543,EMOLS-id_24099086	419.561	OEECZHFHSRDAAG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132160
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)c(C)c1	MCULE-6713221056,ZINC22_12849564,CoCoCo_4164281,EMOLS-id_24130515,PC-id_25550948	419.561	IAVQZPOOCGBXTP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132161
CC(CN=C1c2cscc2S(=O)(=O)N1)Oc1cccc(c1)CN1CCCCC1	PC-id_136456359,SCHEMBL10812416	419.561	XJMRTQCMHSEPMV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132162
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)C1	PC-id_25639141,ZINC22_12973692,CoCoCo_4164271	419.561	OEECZHFHSRDAAG-ZIAGYGMSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132163
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)C1	PC-id_25639143,ZINC22_12973696,CoCoCo_4164270	419.561	OEECZHFHSRDAAG-OKILXGFUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132164
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)C1	PC-id_25639145,ZINC22_12973698,CoCoCo_4164269	419.561	OEECZHFHSRDAAG-KBPBESRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132165
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)C1	ZINC22_13121334,PC-id_9438568,CoCoCo_4164101	419.561	IUHDHCDUFQXQCO-OKILXGFUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132166
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)C1	ZINC22_8313175,CoCoCo_4164100,PC-id_9438570	419.561	IUHDHCDUFQXQCO-KBPBESRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132167
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)C1	ZINC22_8313177,PC-id_9438572,CoCoCo_4164102	419.561	IUHDHCDUFQXQCO-ZIAGYGMSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132168
NC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_3985382,CoCoCo_3985384,PC-id_9055301,ZINC22_57293340	419.561	HPVUBAWTZGXCJJ-ZDUSSCGKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132169
NC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2	CoCoCo_3985385,ZINC22_57293342,CoCoCo_3985383,PC-id_9055303	419.561	HPVUBAWTZGXCJJ-CYBMUJFWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132170
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN(Cc1cccs1)CC1CCCO1	PC-id_16365894,EMOLS-id_11814157,MCULE-5684953526	419.561	HPVUBAWTZGXCJJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132171
O=S1(=O)N=C(NCCCOc2cccc(CN3CCCCC3)c2)c2cscc12	SCHEMBL4604461,CHEMBL33918,PC-id_135430692	419.561	ITTIUXYDWVAPCF-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-132172
O=S1(=O)N=C(NCCCOc2cccc(CN3CCCCC3)c2)c2sccc12	PC-id_135665158,SCHEMBL10836248,CHEMBL34776	419.561	BLTAUIWOJGBLLX-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-132173
O=S1(=O)N=C(NCCCOc2ccc(CN3CCCCC3)cc2)c2cscc12	PC-id_135429737,CHEMBL284564,SCHEMBL10815161	419.561	MMJXGMHPPQTEGB-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-132174
S(=O)(=O)(N1CCCCC1)c1ccc(CCC(=O)Nc2sc3CCCc3n2)cc1	PC-id_26723108	419.561	JEOWEOQOYVLZPL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132175
S(=O)(=O)(N1C(CCCC1)CC)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_4187724	419.561	YLVUHGVUGDGHOF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132176
S(=O)(=O)(N(C1CCCCC1)C)c1cc(ccc1)C(=O)Nc1sc2CCCc2n1	PC-id_26723251	419.561	DIYMDGOUBUMLIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132177
S(=O)(=O)(N(C1CCCCC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_26723414	419.561	AYDKIZHJIKHOND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132178
CCN(C(=O)OC(C)(C)C)CC1CCN(CC1)C(=NC)NCc1nnc2n1CCC2	PC-id_109563764	419.564	IXSGNRLRDCBGAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132179
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CCCCC2)c(nn1)C)C(=O)N	PC-id_7817327	419.564	ZQEHERGKCJWUCP-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-132180
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(SC)cc1)C)C(=O)OCC	PC-id_2699912	419.581	INFXGKDXNZZLSE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132181
CC(n1nc(c(c1C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C)C	PC-id_92110088	419.584	AGRYTLNJVGIMJB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132182
NC1CCC(CC1)C1CCC(CC1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215672	419.602	LPVACHYUHFDSBU-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-132183
O=C(N(CC1[NH+](CCC1)CC)CC1CC[NH+](CC1)CCOC)c1n[nH]c2c1CCC2	PC-id_74790367	419.604	IHLCRIUPUFAYOT-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-132184
O=C(N(C[C@@H]1[NH+](CCC1)CC)CC1CC[NH+](CC1)CCOC)c1n[nH]c2c1CCC2	PC-id_42289312	419.604	IHLCRIUPUFAYOT-LJQANCHMSA-P	00000010100010000001000010000000000000000000000000000000	25-01-132185
O=C(N(C[C@H]1[NH+](CCC1)CC)CC1CC[NH+](CC1)CCOC)c1n[nH]c2c1CCC2	PC-id_42289314	419.604	IHLCRIUPUFAYOT-IBGZPJMESA-P	00000010100010000001000010000000000000000000000000000000	25-01-132186
ClCCCS(=O)(=O)n1nc2c(c1I)CN(C2)C(=O)O	SCHEMBL19712066	419.624	NTQVYDKJKDVMME-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132187
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OCC1CC(c2c1n(nc2)C)CN	PC-id_134970991	419.635	FKBOICLLBWBCBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132188
NC[C@@H]1C[C@@H](c2c1cnn2C)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_101387636	419.635	FKBOICLLBWBCBB-VQTJNVASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132189
CCCCCCCCC(CCCCCC)CCCCN1C(=O)c2c(C1=O)csc2	PC-id_118641352,SCHEMBL17412780	419.664	QBYLQGSXEFIAFD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132190
CCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2C(C)(C)C)C(C)(C)C)C	SCHEMBL18517077	419.664	JDEKJKXRGOXTSO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132191
CCCCCCCCC(N1C(=O)c2c(C1=O)c(sc2C)C)CCCCCCCC	PC-id_117750078,SCHEMBL16307270	419.664	MAMPNXIVMZJVEW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132192
Clc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(Cl)c(Cl)c1	PC-id_24356530	419.71	SBLQECYEXUDRGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132193
Clc1cc(Cl)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1Cl	MCULE-8787796910,EMOLS-id_328223603	419.731	OLPXVNUXZRLTSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132194
Clc1cc(Cl)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(Cl)c1	MCULE-4702669835,EMOLS-id_328219519	419.731	AJTBMILVTPEKLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132195
NC(=O)c1c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)sc2c1CCC2	CoCoCo_3157003,MCULE-6483955325,ZINC22_2653784,EMOLS-id_43794993,PC-id_2117218	419.806	QSYXGPSGXNSIKY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132196
FC(F)(F)c1cnc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(Cl)c1	EMOLS-id_328223097,MCULE-2734110015	419.827	SXEYHRJUQPAGRS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132197
c1(NC(=O)c2c(C)onc2c2c(cccc2F)Cl)sc2c(CCC2)c1C(=O)N	ZINC22_1053492,MCULE-4848033841,PC-id_1245143,TIMTEC542222,ChEMBL-DNDi_CHEMBL1433183,CHEMBL1433183,CoCoCo_540664,EMOLS-id_2496315	419.857	XCROIRTZLZMRII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132198
Clc1c(c2noc(c2C(=O)NNC(=O)c2sc3CCCc3c2)C)c(F)ccc1	EMOLS-id_30235074,MCULE-5716100353,PC-id_26280970	419.857	KCHXREKARDDFGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132199
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)Cl)NC(=O)c1cc(C)cc(n1)C	EMOLS-id_49423777	419.862	CESVUHZEQBOBSF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-132200
Clc1ccc(cc1)CC(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479090,SCHEMBL5534653	419.862	WJARGFHDNUIPQC-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-132201
Clc1ccc(cc1)CC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5534657,PC-id_69479093	419.862	WJARGFHDNUIPQC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132202
Clc1ccc(cc1)C(=O)CN1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69482184,SCHEMBL5545735	419.862	DTETZZXUFRZQIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132203
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1sccn1)c2=O	MCULE-4111590385	419.865	SQKJXLWAQPIUCV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132204
O=C(COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O)Nc1nccs1	ZINC22_256055775,PC-id_117588414	419.865	SQKJXLWAQPIUCV-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-132205
CC1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)F)Cl)C)C(=O)C(=O)NC(C)C	PC-id_134599115,SCHEMBL20253022	419.877	YTVLBHXQEUKFBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132206
C[C@@H]1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)F)Cl)C)C(=O)C(=O)NC(C)C	SCHEMBL20253023,PC-id_134599116	419.877	YTVLBHXQEUKFBN-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132207
C[C@H]1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)F)Cl)C)C(=O)C(=O)NC(C)C	SCHEMBL20253025,PC-id_134599118	419.877	YTVLBHXQEUKFBN-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-132208
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccccc1Cl)C(=O)OC	MCULE-8124406284,PC-id_73550592	419.879	LDPDFJXVBYKYRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132209
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)Cl)C(=O)OC	MCULE-8168681632,PC-id_73550591	419.879	HSZIBJZXTRHOCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132210
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1cccc(Cl)c1)C(=O)OC	PC-id_73568649,MCULE-2961575143	419.879	MLIIXVKTTPQCMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132211
Clc1ccc(/C=C/C(=O)Nc2sc3c(C(CC3)C(=O)OC)c2C(=O)OC)cc1	PC-id_19171159	419.879	HSZIBJZXTRHOCI-BJMVGYQFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132212
Clc1cc(/C=C/C(=O)Nc2sc3c(C(CC3)C(=O)OC)c2C(=O)OC)ccc1	PC-id_19203583	419.879	MLIIXVKTTPQCMO-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132213
Clc1c(/C=C/C(=O)Nc2sc3c(C(CC3)C(=O)OC)c2C(=O)OC)cccc1	PC-id_19171160	419.879	LDPDFJXVBYKYRM-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132214
Clc1c(SCC(=O)OC)cc(/N=c/2sc(=O)n3n2CC(OC)C3)c(F)c1	PC-id_19937149	419.879	NRXNLXYTLDFMIG-JXAWBTAJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132215
COC1Cn2n(C1)c(=O)s/c/2=N/c1cc(SCC(=O)OC)c(cc1F)Cl	SCHEMBL9130282	419.879	NRXNLXYTLDFMIG-NBVRZTHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132216
COC1Cn2n(C1)c(=O)sc2=Nc1cc(SCC(=O)OC)c(cc1F)Cl	SCHEMBL9130286	419.879	NRXNLXYTLDFMIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132217
Clc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_19658904	419.882	KJNIQDAVHQEZRM-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132218
Clc1ccc(C(=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_3605306	419.882	OYHKEYHVTYBJDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132219
Clc1ccc(C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_73633402	419.882	KJNIQDAVHQEZRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132220
Clc1ccc(/C(=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)/C)cc1	PC-id_9627670	419.882	OYHKEYHVTYBJDN-LSHDLFTRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132221
Clc1c(C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_5144125	419.882	HZUOMNBWFOHXFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132222
Clc1c(/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_9609461	419.882	HZUOMNBWFOHXFP-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132223
ClC1=C(OCCO)c2n(nc(OCC)n2)/C/1=N/c1c(C(C)C)cc(N(C)C)cc1	PC-id_58839005,SCHEMBL14573680	419.905	XONOQQHJTRFBGT-RELWKKBWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-132224
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2sc(nn2)C)cc1	PC-id_16947458	419.908	CPQRCJMPBOFBPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132225
COCCn1nc2c(c1)CN(C2)C(=O)Nc1nc(ccc1N)c1ccc(s1)[ClH+]	PC-id_142527808	419.908	WFEIYNZLBLWEMO-UHFFFAOYSA-O	00000010100100101001100010000000000000000000000000000000	25-01-132226
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccc(cc1)Cl	ZINC22_20117865,GD-id_ZINC20117865,EMOLS-id_2184008,PC-id_1328136,MCULE-1404370429,CoCoCo_865186	419.925	WQWCRUQQZWEPQY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132227
Clc1cccc(c1C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109621	419.925	AGYKYBVJNOSKTC-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-132228
Clc1ccc(c(c1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109619	419.925	KWMIGQVHHCZVPK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-132229
CCCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960006	419.927	LGGZWSRNXPOSHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132230
c
(=N/C(=O)CNC(=O)N2CCN(CC2)c2cccc(Cl)c2)/sc2c(CCC2)[nH]1	STOCK7S-16007,ZINC22_61721364,EMOLS-id_35789942,EMOLS-id_46559367,MCULE-9961932639,PC-id_52902111	419.928	WMNVWTBVFNACEX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132231
Cc1csc2nc(Cl)c(/C=c/3sc4nc(Cc5cccs5)nn4c3=O)n12	EMOLS-id_324829437	419.931	KBELSNJDLNCIGM-WDZFZDKYSA-N	00000000100100000001000110000000000000000000000000000000	25-01-132232
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)Cc1cccs1	MCULE-2261668884	419.931	KBELSNJDLNCIGM-UHFFFAOYSA-N	00000000100100000001000110000000000000000000000000000000	25-01-132233
Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328335771,MCULE-7009622842	419.946	VWCIZVMKIVCFCZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132234
Clc1ccccc1N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7997055123,EMOLS-id_328336287	419.946	SCTVWYQGNLIKQT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132235
c1(NC(=O)CSCC(=O)Nc2ccc(cc2C)Cl)sc2c(CCC2)c1C#N	EMOLS-id_181303256,PC-id_84404082,MCULE-8203369988	419.948	AYKPVZSILGANGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132236
Clc1cc(N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_8530443	419.948	TYUPFUUMCBZELF-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-132237
Clc1c(N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_8528401,GD-id_ZINC07433709	419.948	IZIXBSPHEWTXSZ-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-132238
Clc1nc(Nc2nc3c(s2)C(CC3)(C)C)cc(c1)S(=O)(=O)c1ccccc1	SCHEMBL17397889,PC-id_118628184	419.948	LNWJSYOZJNZQLE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132239
Clc1nc(Nc2sc3c(n2)CC(C3)(C)C)cc(c1)S(=O)(=O)c1ccccc1	SCHEMBL17397936,PC-id_118628215	419.948	DKPHHDNJKDHLMB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132240
NN1C(=O)c2c(C1=O)c(sc2I)I	SCHEMBL19300635	419.966	SQPWXZARACKHMM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132241
c1(NC(=O)C2(CCCC2)c2ccc(cc2)Cl)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-7189453358,PC-id_2160503,EMOLS-id_5443095	419.968	DSTGSCOKZFLQGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132242
CC(C)(C)n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)C[S@](=O)C2	CoCoCo_4985671,PC-id_11863947,ZINC22_4106295	419.968	DSTGSCOKZFLQGE-NDEPHWFRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132243
CC(C)(C)n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)C[S@@](=O)C2	PC-id_11877795,ZINC22_2725136,CoCoCo_4985672	419.968	DSTGSCOKZFLQGE-MUUNZHRXSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132244
Clc1ccc(OC(C(=O)N2CCN(CC2)Cc2sc3c(n2)CCC3)(C)C)cc1	PC-id_44060310	419.968	GSPJMQIVBFCLTF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132245
Clc1nc(Nc2sc3c(n2)CC(C3)(C)C)cc(c1)S(=O)(c1ccccc1)C	SCHEMBL17413484	419.991	LYEMQIGPSJJFMK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132246
Ic1sc(I)c2c1C(N)CC2=NO	PC-id_394224	420.009	NBCOBLZBJYFRHF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132247
O/N=C/1C[C@@H](c2c1c(I)sc2I)N	CoCoCo_5764350	420.009	NBCOBLZBJYFRHF-AOCHXJETSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132248
O/N=C/1C[C@H](c2c1c(I)sc2I)N	CoCoCo_5764351	420.009	NBCOBLZBJYFRHF-KCRFVPGBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132249
O/N=C
/C[C@H](c2c1c(I)sc2I)N	CoCoCo_5764352	420.009	NBCOBLZBJYFRHF-YQFBBLPXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132250
O/N=C
/C[C@@H](c2c1c(I)sc2I)N	CoCoCo_5764353	420.009	NBCOBLZBJYFRHF-BMUDHVQOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132251
CC(CO)NC(=O)NC1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278842	420.111	KKHHWHJQDZZYMX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132252
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=N3)SC4=CN(N=C4)CC(F)F	PC-id_164871970	420.118	QXOAKVOTXAZSOC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-132253
O=C(c1sc(c(c1)Br)Br)NC(c1nnc2n1CCC2)C	PC-id_112727792	420.123	PYHNVLAOUIGKBT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-132254
O=C(N(Cc1nnc2n1CCC2)C)c1sc(c(c1)Br)Br	PC-id_112723282	420.123	QEHSBYVMPFQFPJ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-132255
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)OC(CO[N+](=O)[O-])C4=CC=CC=C4	PC-id_154454621	420.132	NWAVSWFNOLPXJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132256
COc1cc(F)c(cc1C(c1sc2c(c1)CCC2)Br)Br	PC-id_103396440	420.135	NAIYAHDCFXUDPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132257
CC1=C(C=CC(=C1Cl)F)N2CCN(CC2)C(=O)CC3CC4=C(C3)NN=C4C(=O)O	PC-id_153600504	420.136	WHAHNGPVLWPPCP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132258
CN(C)C1=CC=CC(=C1)C(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_165180350	420.155	GMXZDWOTUYJKOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132259
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)O	PC-id_160859441	420.18	FIGHBOHGIADMQE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132260
CN1CC(C1)Cn1c2c(CN(C2)C(=O)Nc2c(ccc(c2)c2ccc(cc2)F)N)cn1	PC-id_164116857	420.207	YBWRWYUMRBXJBI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-132261
CN1CC(C1)CN2C3=C(CN(C3)C(=O)CC4=C(C=CC(=N4)C5=CC=C(C=C5)F)N)C=N2	PC-id_160529792	420.207	ZSRHYBXNYKCOAC-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-132262
CN1CC(C1)CN2C=C3CN(CC3=N2)C(=O)CC4=C(C=CC(=N4)C5=CC=C(C=C5)F)N	PC-id_147757534	420.207	HDKMZLNXQUGUAN-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-132263
CC1CCc2c1c(I)nn2Cc1cc(ccc1C)C(F)(F)F	MCULE-1183480697,EMOLS-id_330980862	420.211	LTWHMUJFRPBZSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132264
CC1CCc2c1c(I)nn2Cc1cccc(c1C)C(F)(F)F	MCULE-7058155491,EMOLS-id_330977535	420.211	AABXVRJVMRXAHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132265
CC1CCc2c1c(I)nn2Cc1cc(C)cc(c1)C(F)(F)F	EMOLS-id_330981374,MCULE-3236024657	420.211	MPNLEAXHHWQZFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132266
CC1CCc2c1c(I)nn2Cc1ccc(C)c(c1)C(F)(F)F	MCULE-2222693116,EMOLS-id_330981118	420.211	ODXUNKVTHPHDHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132267
CC1CCc2nn(Cc3cccc(c3C)C(F)(F)F)c(I)c12	MCULE-1934563984,EMOLS-id_330961595	420.211	JYGANJGIFGMHTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132268
CC1CCc2nn(Cc3cc(ccc3C)C(F)(F)F)c(I)c12	MCULE-9348154699,EMOLS-id_330964922	420.211	XAZGLGNIQPLUAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132269
CC1CCc2nn(Cc3ccc(C)c(c3)C(F)(F)F)c(I)c12	MCULE-5513299759,EMOLS-id_330961083	420.211	DITXSOFJNGXXCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132270
CC1CCc2nn(Cc3cc(C)cc(c3)C(F)(F)F)c(I)c12	MCULE-7563189767,EMOLS-id_330961339	420.211	MUKCXVGUCFXVDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132271
CC(c1ccc(cc1)C(F)(F)F)n1nc2CCC(C)c2c1I	EMOLS-id_330961340,MCULE-8145281082	420.211	VDFJWBBIVOYFRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132272
CC(c1cccc(c1)C(F)(F)F)n1nc2CCC(C)c2c1I	MCULE-1726616181,EMOLS-id_330963134	420.211	PHFCCOSVHUUQGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132273
CC(c1ccccc1C(F)(F)F)n1nc2CCC(C)c2c1I	MCULE-2990228058,EMOLS-id_330964927	420.211	UJDSXWNROXOTTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132274
CC1CCN(C1)C2=NC=C(C(=N2)C)CN3C=C(N=C3)C(=O)N[C@@H]4CCC5=C(NN=C45)C	PC-id_154964003	420.239	KCZKTROYUDFYNC-PQJIZZRHSA-N	00000010100000100001100010000000000000000000000000000000	25-01-132275
n12ncnc1sc(=CN1C(C(=O)O)CC(=N1)c1ccc(cc1)Br)c2=O	MCULE-9787516437	420.241	XJLITKYTZVWBOE-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-132276
OC(=O)C1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(Br)cc1	PC-id_117588155,EMOLS-id_190367011	420.241	XJLITKYTZVWBOE-SDQBBNPISA-N	00000011100000110001100010000000000000000000000000000000	25-01-132277
O=C(O)[C@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(Br)cc1	ZINC22_256028163	420.241	XJLITKYTZVWBOE-MDUDVEDUSA-N	00000011100000110001100010000000000000000000000000000000	25-01-132278
O=C(O)[C@@H]1CC(=NN1/C=c/1sc2ncnn2c1=O)c1ccc(Br)cc1	ZINC22_256028164	420.241	XJLITKYTZVWBOE-RMCZBGCRSA-N	00000011100000110001100010000000000000000000000000000000	25-01-132279
Brc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1cc(ccc1)C(=O)OCC	SCHEMBL11004716,PC-id_20404981	420.254	AZBRWLCREYLWCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132280
Brc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1C)C(=O)c1ccccc1	PC-id_53636561,SCHEMBL11043341	420.254	ADBPIKQWFMHCFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132281
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)COc1ccc(cc1Cl)Cl	MCULE-6913458563	420.269	VURFAFSCZKLSIT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132282
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8128360751	420.269	DWWNNDMGUIUJFP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132283
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1ccccc1Cl	MCULE-8527818885	420.269	FLNURBMMNAWVLY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132284
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1ccc(Cl)cc1	MCULE-7309825210	420.269	HZUJLQUUQYZAAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132285
Oc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324848370	420.269	VURFAFSCZKLSIT-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-132286
Oc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324847349	420.269	DWWNNDMGUIUJFP-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-132287
Oc1ccc(Cl)cc1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324882444	420.269	FLNURBMMNAWVLY-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132288
Oc1ccc(Cl)cc1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324848880	420.269	HZUJLQUUQYZAAZ-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132289
Brc1c(C(=O)NC(C(C)C)C(=O)NCc2n3CCCc3nn2)cccc1	EMOLS-id_29619693,MCULE-8535106705,PC-id_45864932	420.304	RCLRLIWZWDDYMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132290
CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1nnc2n1CCC2	CoCoCo_4560452,PC-id_51929786,ZINC22_40037528	420.304	RCLRLIWZWDDYMV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132291
CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1nnc2n1CCC2	CoCoCo_4560453,PC-id_51929787,ZINC22_40037530	420.304	RCLRLIWZWDDYMV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132292
ClC1(Cl)C(C1)(C)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_3902453	420.307	OKIRDEYUNHWQHB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-132293
c1(NC(=O)C(=Cc2ccccc2)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-9981796130,PC-id_1192022	420.32	SIJHCGCVGAKXHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132294
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Br)cc2)sc2CCCc12	EMOLS-id_328117317,PC-id_6056632	420.32	DWHXIVRCVZMXPY-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132295
CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Br)c2)sc2CCCc12	EMOLS-id_328104002	420.32	KJWMTDXLCGFKRA-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132296
CCOC(=O)c1c(NC(=O)/C(=Cc2ccccc2)/Br)sc2c1CCC2	CoCoCo_6303126	420.32	SIJHCGCVGAKXHI-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132297
CCOC(=O)c1c(NC(=O)/C(=C/c2ccccc2)/Br)sc2c1CCC2	ZINC22_955908,EMOLS-id_26648402,CoCoCo_6303125	420.32	SIJHCGCVGAKXHI-KAMYIIQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132298
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1ccc(Br)cc1	MCULE-4923557922,PC-id_4278824	420.32	DWHXIVRCVZMXPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132299
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1cccc(Br)c1	MCULE-1680363382	420.32	KJWMTDXLCGFKRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132300
Brc1csc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109544	420.323	BEZRKBSNRLQADA-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-132301
Brc1c(ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1)C	PC-id_4955492	420.347	DLXBGUFTPMONGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132302
Brc1ccnc(c1)CCCCCC(C(=O)N1Cc2c(C1)c(n[nH]2)N)(C)C	PC-id_144155934	420.347	AZFZXJVNISQFPT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-132303
[Se]C(=Nc1sc2c(CCC2)c1C(=O)OCC)NC(=O)c1ccccc1	PC-id_21176321	420.364	OVLLTKOHILAEMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132304
[N-]=[N+]=NCc1nn2c(c1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)CCC2	ZINC22_2325783201	420.4	CKLZZOJSHVRLLC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132305
c1(NC(=O)c2ccc(c(F)c2F)F)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338221,MCULE-9029769185	420.405	YNHJYRGFNFIYSA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-132306
N#Cc1c(NC(=O)COC(=O)/C=Cc2cccc(c2)C(F)(F)F)sc2c1CCC2	CoCoCo_2931241	420.405	UVWCMLJKFVETHX-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132307
N#Cc1c(NC(=O)COC(=O)C=Cc2cccc(c2)C(F)(F)F)sc2c1CCC2	EMOLS-id_26036508,MCULE-7142110495,PC-id_5132438	420.405	UVWCMLJKFVETHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132308
N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCC2	PC-id_2410264,ZINC22_3294685,CoCoCo_2931240	420.405	UVWCMLJKFVETHX-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132309
s1c2CCCc2nc1NC(=O)c1nn(c2cc(ccc2)C(F)(F)F)c(cc1=O)C	PC-id_26723445	420.408	CAIJWUWCBIPUOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132310
s1c2CCCc2nc1NC(=O)c1nn(c2c(cccc2)C(F)(F)F)c(cc1=O)C	PC-id_33040399	420.408	FWKUTYHTKUHTPX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132311
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)Cc1ccc(cc1)CO[N+](=O)[O-]	SCHEMBL5604610,PC-id_11742868	420.415	SGZDZWGUDOSVHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132312
CCOC(=O)n1nc(c2c1CN(C2)NC(=O)c1ccncc1)NC(=O)c1ccccc1	PC-id_141417096	420.421	DANJGMGIZQAXRQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132313
O=C(c1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1n[nH]c2c1CNC2(C)C	PC-id_140963655	420.421	RTDOHDXAALMTBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132314
CC[C@@H](Cn1nc2c(c1)CN(C2)C(=O)c1cc(C#N)ccc1O[C@H](C(F)(F)F)C)C	SCHEMBL17214036,PC-id_118479189	420.428	ZUOYUDMXTPTSGX-KBPBESRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132315
CCC(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268338,SCHEMBL17505280	420.428	MNTFRNIADKBGMU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132316
CC(=O)N1Cc2c(C1)n(nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F)C	PC-id_86267721,SCHEMBL20695963	420.428	DIHHUYFFVBLIHN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132317
FC(F)(F)c1cc(CN2CC(CCC2=O)C(=O)NCc2n[nH]c3c2CCC3)ccc1	PC-id_45247731	420.428	XHUVOGGACYIHAB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132318
FC(F)(F)c1cc(CN2C[C@@H](CCC2=O)C(=O)NCc2n[nH]c3c2CCC3)ccc1	CoCoCo_1615575,CoCoCo_1615573,PC-id_26397046	420.428	XHUVOGGACYIHAB-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132319
FC(F)(F)c1cc(CN2C[C@H](CCC2=O)C(=O)NCc2n[nH]c3c2CCC3)ccc1	CoCoCo_1615576,PC-id_26397043,CoCoCo_1615574	420.428	XHUVOGGACYIHAB-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132320
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)cc(OC)c(OC)cc1N(=O)=O	EMOLS-id_328003454,MCULE-1402571451	420.436	RGTVAAXHUZNQJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132321
CNC(=O)Nc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)ccc1F	ZINC22_2325878144	420.436	GJAMOOIPAVHSSG-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132322
CNC(=O)Nc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)ccc1F	ZINC22_2325878145	420.436	GJAMOOIPAVHSSG-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132323
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])cc(OC)cc1)C(=O)OCC	PC-id_18076354	420.436	YGTSMXJVTMIVGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132324
s1c2c(CCC2)c(c1NC(=O)COc1c(OC)ccc([N+](=O)[O-])c1)C(=O)OCC	PC-id_41692677	420.436	KTMZTZIOAVDDMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132325
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1occc1)C)C(=O)OC	PC-id_51899950	420.436	JNSMHLKVCRVXCS-JTQLQIEISA-N	00000010101000000000000010000000000000000000000000000000	25-01-132326
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1occc1)C)C(=O)OC	PC-id_51899951	420.436	JNSMHLKVCRVXCS-SNVBAGLBSA-N	00000010101000000000000010000000000000000000000000000000	25-01-132327
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)C)C(=O)OC	PC-id_45628311	420.436	JNSMHLKVCRVXCS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-132328
COc1ccc(COC(=O)CCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1F	EMOLS-id_3359017,CoCoCo_3637487,PC-id_4883266,MCULE-7574758486,ZINC22_6876120	420.455	NDNIVNVPBLMXDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132329
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1cc(F)c(OC)cc1)C)C(=O)N	PC-id_8185991	420.455	DZWOOTYCQNMTLV-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-132330
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1cc(F)c(OC)cc1)C)C(=O)N	PC-id_8185992	420.455	DZWOOTYCQNMTLV-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132331
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H](Oc1ccc(F)cc1)C)C)C(=O)N	PC-id_8935920	420.455	DVBQVHULOLEDAS-WDEREUQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132332
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@H](Oc1ccc(F)cc1)C)C)C(=O)N	PC-id_8935925	420.455	DVBQVHULOLEDAS-GHMZBOCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132333
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H](Oc1ccc(F)cc1)C)C)C(=O)N	PC-id_8935930	420.455	DVBQVHULOLEDAS-QWRGUYRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132334
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@@H](Oc1ccc(F)cc1)C)C)C(=O)N	PC-id_8935937	420.455	DVBQVHULOLEDAS-MNOVXSKESA-N	00000010100000110000000010000000000000000000000000000000	25-01-132335
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1cc(F)c(OC)cc1)C)C(=O)N	PC-id_78628463	420.455	DZWOOTYCQNMTLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132336
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(Oc1ccc(F)cc1)C)C)C(=O)N	PC-id_84876100	420.455	DVBQVHULOLEDAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132337
COc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(cc1OC)C(=O)O	MCULE-1041121670,EMOLS-id_328216953	420.458	AAWUGELGVOFDSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132338
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(cc1OC)OC	MCULE-7013384420,EMOLS-id_316321078	420.461	KLAMWDLEXWKOTL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132339
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)COc3ccc(cc3)OC)Cc12	EMOLS-id_316255222,MCULE-8066238124	420.461	WIHGKFQTIHSWOJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132340
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)COc3ccc(cc3)OC)Cc12	MCULE-1662168134	420.461	WIHGKFQTIHSWOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132341
O=C1N(Cc2[nH]c(c(c12)C)C(=O)Cc1c(ccc(c1)C(=O)Nc1nocc1)C)CCC	PC-id_58328289	420.461	IEUHXGKSTFFEIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132342
O=C1N(Cc2[nH]c(c(c12)C)C(=O)Nc1c(ccc(c1)C(=O)Cc1nocc1)C)CCC	PC-id_58328234	420.461	IAAJVVJOHRWPIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132343
c1(NC(=S)NC(=O)c2ccc(OC)c(c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	TIMTEC240027,PC-id_4504710,ZINC22_16227688,MCULE-4349389734	420.463	JJSDQZIUYQKJRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132344
c1(NC(=S)NC(=O)COc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_4505405,MCULE-1466930988,TIMTEC578951,ZINC22_16450518	420.463	YROBMMVYHGWBJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132345
NC(=O)c1c(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCC2	PC-id_4505406,ZINC22_16429241	420.463	PAPPTVKBYRXXLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132346
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_207863279,MCULE-7288658099	420.464	UVRFBHVVJJXRAR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132347
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)Nc1ccccc1OCC	MCULE-9117508370,EMOLS-id_207863161	420.464	MCQNCIJSGZGHJC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132348
CC(NC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1)C	SCHEMBL2924508,PC-id_10180437	420.464	JVEZDFHQOIQEDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132349
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)c3ccco3)C4)cc2)CC1	CHEMBL427170,SCHEMBL2919159,PC-id_11384622,BindingDB-id_21834,BindingDB_PC-id_11384622	420.464	CGKGJGLHSCEWHJ-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-132350
CN1CCN(CC1)c1ccc(cc1)C(=O)Nn1c2c(CN(C2)C(=O)c2ccco2)cn1	PC-id_91327928	420.464	AVWRQQUQCIRWBE-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-132351
CC(C)CN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695679,PC-id_86268532	420.471	ZYSXZXXVRDMQJW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132352
CC(C)(C)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20952912,PC-id_86268533	420.471	YOKCDIROSMBLFB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132353
CCNC(=NCc1nnc2n1CCC2)NCC1(CCC1)c1cccc(c1)C(F)(F)F	PC-id_111499157	420.474	BXVDRCXQTUAQGB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-132354
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(F)cc1)C)C(=O)OC	PC-id_27251419	420.478	UANXSXQIXLPSRL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132355
c1(NC(=O)COc2c(=O)ccn(CCO)c2C)sc2c(CCC2)c1C(=O)OCC	ZINC22_40267786,EMOLS-id_30503169,STOCK6S-96798,PC-id_49654050,MCULE-5063185121	420.479	CNYVGKWNCNSBAQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132356
Cc1ccccc1C(c1ccccc1)N1CCN(CC1)C(=O)c1nn2CCOc2c1F	PC-id_91960055	420.479	NVJLUNOLTIYUHB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132357
FC(C(=O)N1Cc2c([nH]nc2NC(=O)c2ccc(C(C)(C)C)cc2)C1)c1ccccc1	PC-id_68440663,SCHEMBL2918573	420.479	AYJNMYHPCWYQSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132358
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(onc1C)C(C)C)C(=O)OCC	PC-id_8507321	420.479	KNYMNAGRRYRUDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132359
s1c2c(CCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)c1ccccc1)C(=O)N	PC-id_26901253	420.481	WHLZILTVKYPTDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132360
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(c2ccccc2)cc1)C(=O)N	PC-id_24351545	420.481	CFLUIGOIKLCDOF-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132361
c12CN(Cc1n(nc2C(=O)N1CCCC1)C)S(=O)(=O)c1ccc(c(OC)c1)OC	MCULE-3384837362,EMOLS-id_207863007	420.483	LVJDTKZEIBYGDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132362
c12sc(NC(=O)CCCn3c(C)c(N(=O)=O)c(C)n3)c(C(=O)OCC)c1CCC2	ZINC22_4593770,EMOLS-id_2588877,CoCoCo_2039269,TIMTEC584314,MCULE-8627656163,PC-id_5295249	420.483	YXOASZWAGGPMFV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132363
c1(NC(=O)c2ccc(cc2OC)OC)c2CSCc2nn1CC(=O)NCCOC	MCULE-6412734924,EMOLS-id_24913295,PC-id_30862303,ZINC22_23138983,CoCoCo_5277582	420.483	AMLOLGWZFPSJJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132364
c1(NC(=O)c2cccc(OC)c2OC)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138898,EMOLS-id_24913233,CoCoCo_5277549,PC-id_30862221,MCULE-7814668321	420.483	LOCIBVPWUWTJPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132365
c1(NC(=O)c2cc(OC)cc(OC)c2)c2CSCc2nn1CC(=O)NCCOC	MCULE-9529696102,CoCoCo_5277583,PC-id_30862305,EMOLS-id_24913297,ZINC22_23138986	420.483	FQIVVYIHAPAPHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132366
c1(NC(=O)C(=O)NCc2ccc(cc2)OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-3734084335,PC-id_18586558,ZINC22_10250654,EMOLS-id_5625830,CoCoCo_5190614	420.483	CZXROKTTZQHIFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132367
c1(NC(=O)C(=O)NCc2ccccc2OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_18586559,EMOLS-id_5625832,CoCoCo_5190615,MCULE-8549732073,ZINC22_10250656	420.483	GYMKHBDEUSVLAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132368
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC(N)(C)C)C	PC-id_118368875,SCHEMBL18729828	420.483	HITRQOVVXWGVNV-LJQANCHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132369
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC(N)(C)C)C	SCHEMBL18729829	420.483	HITRQOVVXWGVNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132370
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCN(C)C)C	SCHEMBL18729905	420.483	TUFGVINTZHMMSJ-LJQANCHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132371
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCN(C)C)C	SCHEMBL18729906	420.483	TUFGVINTZHMMSJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132372
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)cc2)CC(=O)NCCOC)C1	PC-id_44052993	420.483	ALVUMERJUHJKJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132373
S1Cc2c(nn(c2NC(=O)COc2ccc(OC)cc2)CC(=O)NCCOC)C1	PC-id_44052955	420.483	DCTMHTLXAWQTFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132374
S1Cc2c(nn(c2NC(=O)COc2cc(OC)ccc2)CC(=O)NCCOC)C1	PC-id_44052954	420.483	LGHUUFHMKYCOOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132375
S1Cc2c(nn(c2NC(=O)COc2c(OC)cccc2)CC(=O)NCCOC)C1	PC-id_44052953	420.483	XVYDHRAMFTWDAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132376
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3)OCC)n2)C)sc2c(CCC2)c1C#N	MCULE-2101106841,EMOLS-id_322819114	420.484	IHOBPBJIWXPKLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132377
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-3588106456,EMOLS-id_331632324	420.484	DMPKZOPVDFTCHN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132378
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-5662988837,EMOLS-id_331631298	420.484	JODGFUUXCWXHGL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132379
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331630787,MCULE-1272696168	420.484	RQQRDRVGTPZEIX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132380
Cc1ccc(cc1)C(=O)c1c(nc2n1CCC2)NS(=O)(=O)c1c(ccc(c1)C#N)C	PC-id_86815343,MCULE-9093406289,EMOLS-id_49940262	420.484	AKNBPXFLPWAOKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132381
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)C)c2=O)CC	MCULE-4346035401	420.484	SMCAEEUMLNYIEX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132382
N#Cc1c(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)sc2c1CCC2	ZINC22_9861416,PC-id_16355275,EMOLS-id_3639597,MCULE-4917639901,CoCoCo_3845861	420.484	NUTCSMABRYNSTP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-132383
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(cccc1)C(=O)N	PC-id_16947647	420.484	LCNGGRYJBUMTAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132384
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_16947648	420.484	FDYUORMYEJTZOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132385
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)C)cc1	PC-id_16947168	420.484	MEPAKBIZBVOVOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132386
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(NC(=O)C)ccc1	PC-id_16947167	420.484	MILWTORCEMIFFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132387
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1nnc2n1CCC2	ZINC22_84350880,MCULE-4828757133,PC-id_71900131,EMOLS-id_43641138	420.486	FEUGLJHIBZXOMI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132388
S(=O)(=O)(N1CC(CCC1)C)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590571	420.486	WNOXIKSBVXBAFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132389
S(=O)(=O)(N1CCC(CC1)C)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590572	420.486	KTYRUAROLYEJRJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132390
S(=O)(=O)(N1CCCCCC1)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590557	420.486	KEVRSTVWMMXTST-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-132391
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(F)c(OC)cc1)CC)C(=O)OC	PC-id_24451110	420.498	VPZQYEMSIGMRLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132392
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(F)c(OC)cc1)C)C(=O)OCC	PC-id_9431879	420.498	ARSBNPFYJHWHPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132393
CCOC(=O)c1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)sc2c1CCC2	ZINC22_408564246	420.502	UDYQKVXHRUROEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132394
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)C=Cc1ccc(cc1)F	MCULE-1344542950	420.502	GTUSUVJWYCGLPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132395
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(SC)cc1)C(=O)N	PC-id_18776995	420.502	MMOGWNBXMFMYOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132396
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SC)nccc1)C(=O)OCC	PC-id_3894626	420.502	JGLWLMVTHUQQRE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132397
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1sc(cc1)C)C(=O)N	PC-id_29485087	420.502	CCOBNYYPHCXSAH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132398
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41320837	420.502	YKDRCOYPLANNAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132399
CCOC(=O)n1nc2c(c1NC(=O)C1CCCC1)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015590,SCHEMBL12879077	420.503	QQLSCXIIMYVDAU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132400
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)N1CCOCC1	PC-id_92109549	420.504	NDOCSEJNCVYJSI-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-132401
Cc1cc(OC[C@@H]2CCCO2)ccc1S(=O)(=O)Nc1nc2n(c1C#N)CCS2	ZINC22_328593968	420.506	FDJFDSONAIGVNE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132402
Cc1cc(OC[C@H]2CCCO2)ccc1S(=O)(=O)Nc1nc2n(c1C#N)CCS2	ZINC22_328593969	420.506	FDJFDSONAIGVNE-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132403
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cnc(cc1)N1CCOCC1	PC-id_89238187,SCHEMBL14056893	420.506	WLSZHGPMFFNHEI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-132404
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1c[nH]c(c1)C(=O)N1CCCC1	PC-id_89237840,SCHEMBL14056493	420.506	PFVSPOQJPFILQQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-132405
CCOC(=O)C1CCCN(C1)C(=O)C1CCc2nnc(n12)CNC(=O)NC(C)(C)C	PC-id_134797688	420.506	NTLIUGMGCPXYPM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132406
CCOC(=O)C1CCN(CC1)C(=O)C1CCc2nnc(n12)CNC(=O)NC(C)(C)C	PC-id_134799243	420.506	NEHGUNFDDKAFOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132407
N#Cc1c(nc2n1CCS2)NS(=O)(=O)c1ccc(cc1C)OCC1CCCO1	PC-id_121568082,EMOLS-id_76028140,MCULE-3656052674	420.506	FDJFDSONAIGVNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132408
O=C(N1CCN(CC1)CCN1Cc2n(C1=O)c(nc2C)C)[C@H](NC(=O)O)C(C)(C)C	PC-id_69636887,SCHEMBL6015124	420.506	JLBUQWUTAROYKC-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132409
O=C(N1CCN(CC1)CCN1Cc2n(C1=O)c(nc2C)C)C(NC(=O)O)C(C)(C)C	PC-id_23138235	420.506	JLBUQWUTAROYKC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132410
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1nc(cc(n1)C)C)C(=O)N	PC-id_45604041	420.506	IQENVDJLPXKHOC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132411
CCCOc1cccc(c1)c1nnn(c1)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-6790415472,EMOLS-id_324064818,PC-id_146097454	420.507	MVZVXYLMZXRNKU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132412
CCCOc1cccc(c2cn(C[C@@H]3CCCN3C(=O)c3n[nH]c4c3CCC4)nn2)c1	ZINC22_1875322235	420.507	MVZVXYLMZXRNKU-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132413
CCCOc1cccc(c2cn(C[C@H]3CCCN3C(=O)c3n[nH]c4c3CCC4)nn2)c1	ZINC22_1875322236	420.507	MVZVXYLMZXRNKU-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132414
NC[C@H](C1=CCCC=C1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	PC-id_143492493	420.507	NSISTHNYTUFIFH-GOSISDBHSA-N	00000010100011110001000010000000000000000000000000000000	25-01-132415
c1(c(SCC(=O)Nc2c(C#N)c3c(CCC3)s2)nc(N)c(c1C1CC1)C#N)C#N	PC-id_19057981,ZINC22_13577374,EMOLS-id_50247953,MCULE-6585975495	420.511	JJRPTPVMBPBNRS-UHFFFAOYSA-N	00100010100000101000100010000000000000000000000000000000	25-01-132416
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCOCC1	PC-id_45663365	420.522	ZCWLLNIBSRJAOZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132417
c1(c2CCCc2sc1N=Cc1ccc(cc1)OC)C(=O)Nc1ccccc1OCC	MCULE-8947862431,PC-id_3632025	420.524	KUSNFNHGZXKYFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132418
c1(c2CCCc2sc1N=Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)OCC	PC-id_3746049,MCULE-9792550113	420.524	SBOXKZPQQZHPOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132419
c1(c2CCCc2sc1N=Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)OCC	MCULE-6479038097,PC-id_3820949	420.524	UCEUPHWUHKVMLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132420
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)OCC	ChEMBL-DNDi_CHEMBL3261-0227,PC-id_1043363,CoCoCo_1731075,SPECS-id_AG-205/37267007,ZINC22_716647,MCULE-6132309095,EMOLS-id_6767695	420.524	OZPJCRRBXXKDGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132421
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1OCC	MCULE-1552661951,PC-id_1368528,ZINC22_1214489,EMOLS-id_1088281,CoCoCo_5984595	420.524	ZGQUAXWMRFPXDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132422
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)Nc1ccccc1OCC	TIMTEC204919,CoCoCo_6728369,EMOLS-id_2766076,MCULE-2590917420,PC-id_3475415,ZINC22_4503284	420.524	HWRYTXFTIUYUNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132423
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2375167,CoCoCo_705861,CHEMBL1447490,MCULE-4002740063,PC-id_1371942,ZINC22_1218939	420.524	UOUHWDKKZPKXQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132424
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1OCC	PC-id_3754587,MCULE-9396638194,EMOLS-id_2766074,ZINC22_4503283,CHEMBL1372533,CoCoCo_1731304,TIMTEC284828	420.524	LHIIYYCUBKVDOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132425
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1OCC	EMOLS-id_2123502,PC-id_1368225,CoCoCo_1731303,TIMTEC334772,ZINC22_1214072,MCULE-6954945291,ChEMBL-DNDi_CHEMBL3261-1058	420.524	NLBQOQFZAGPGFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132426
c1(c2CCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2366695,MCULE-9951852163,ZINC22_722334,SPECS-id_AG-667/11912013,PC-id_1047296,CoCoCo_677947,TIMTEC36314	420.524	RLHYZODIWVGKTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132427
c1(c2CCCc2sc1NC(=O)CCc1ccccc1)C(=O)Nc1cccc(OC)c1	CoCoCo_917916,ZINC22_2826408,PC-id_2185527,EMOLS-id_2207450,MCULE-5792928055	420.524	YYZWIYUXCRJERA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132428
c1(NC(=O)c2ccccc2OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4153859138,EMOLS-id_334329004	420.524	OIIBRVKBYAQBOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132429
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6149306372,EMOLS-id_334331042	420.524	MAIGVUKTPHWSID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132430
c1(NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	ZINC22_1131818,TIMTEC393908,MCULE-3578452218,PC-id_1306710,CoCoCo_927082,EMOLS-id_2454748	420.524	PZCGTEGYVCZAOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132431
c1(NC(=O)COc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	TIMTEC317375,MCULE-9572773168,PC-id_2937853,ZINC22_4918591,CoCoCo_5891439,EMOLS-id_2209216	420.524	MRQKXDFIASOFGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132432
CCOc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1ccc(OC)cc1	EMOLS-id_46413511,ZINC22_4545642,PC-id_9628780,CoCoCo_6728486	420.524	KUSNFNHGZXKYFW-MFKUBSTISA-N	00000010100000110000000010000000000000000000000000000000	25-01-132433
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2ccc(cc2)OC)sc2c1CCC2	CoCoCo_6728485	420.524	SBOXKZPQQZHPOR-MYYYXRDXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132434
CCOc1ccccc1NC(=O)c1c(/N=Cc2ccc(cc2)OC)sc2c1CCC2	CoCoCo_6728487	420.524	KUSNFNHGZXKYFW-MYYYXRDXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132435
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2cccc(c2)OC)sc2c1CCC2	CoCoCo_6728509	420.524	UCEUPHWUHKVMLZ-MYYYXRDXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132436
CCOc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccc(OC)c2)cc1	ZINC22_4545796,TIMTEC472037,CoCoCo_6728508,PC-id_9637585,EMOLS-id_46413531	420.524	UCEUPHWUHKVMLZ-MFKUBSTISA-N	00000010100000110000000010000000000000000000000000000000	25-01-132437
CCOc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2ccc(OC)cc2)cc1	ZINC22_4545795,TIMTEC442668,CoCoCo_6728484,EMOLS-id_46413509,PC-id_9633989	420.524	SBOXKZPQQZHPOR-MFKUBSTISA-N	00000010100000110000000010000000000000000000000000000000	25-01-132438
CCOC(=O)c1c(NC(=O)CCc2ccc(cc2)c2cccnc2)sc2CCCc12	MCULE-4890019226,EMOLS-id_328152165	420.524	NDDUKLSJCYZBTG-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-132439
COC(=O)c1ccc(cc1)CCc1ccc(cc1)NC(=O)c1c(N)sc2c1CCC2	SCHEMBL15997328,PC-id_90377700	420.524	OUOHUBSRZRNHIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132440
COC(=O)c1c(NC(=O)CNC(c2ccccc2)c2ccccc2)sc2c1CCC2	MCULE-4172671035,PC-id_2460551,EMOLS-id_3134875,CoCoCo_3373083,ZINC22_57911474	420.524	NPUIESWDQYQIEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132441
s1c2CCCc2cc1C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1occc1	PC-id_78852160	420.524	KXOQVXUXRWMKKW-UHFFFAOYSA-N	00100010101000110000000010000000000000000000000000000000	25-01-132442
s1c2CCCc2c(c1N=Cc1cc(OC)c(OCCc2ccccc2)cc1)C(=O)N	PC-id_50887295	420.524	URCTWJIMYGDACV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132443
CC(C)(C)c1ccccc1OCCN(C)C(=O)c1n[nH]c2c1CN(C2)S(=O)(=O)C	SCHEMBL17501740,PC-id_86272532	420.526	AKAZGNWLAIDYPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132444
CCOC(=O)c1c(NC(=O)[C@H](Sc2nc([O-])cc(n2)CC)C)sc2c1CCC2	GD-id_ZINC05154958	420.526	FTCYXYGGGVAIJQ-SNVBAGLBSA-M	00000010100000100001000010000000000000000000000000000000	25-01-132445
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nc([O-])c(c(n2)C)C)C)sc2c1CCC2	GD-id_ZINC05155231	420.526	AJBMDMZXKQRNHY-NSHDSACASA-M	00000010100000100001000010000000000000000000000000000000	25-01-132446
CCOC(=O)c1c(NC(=O)CSc2nc([O-])cc(n2)CCC)sc2c1CCC2	GD-id_ZINC17751231	420.526	GTVYRTMJWJMCMM-UHFFFAOYSA-M	00000010100000100001000010000000000000000000000000000000	25-01-132447
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CCN(CC1)S(=O)(=O)C	PC-id_92109441	420.526	ZQEXYZMFGUKQCY-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-132448
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC(=O)NC1CC1)C(=O)OC	PC-id_45769297	420.526	NIRJZUNZTBJHBO-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-132449
c1(NC(=O)c2ccc(cc2)c2ccccc2)c2CSCc2nn1CC(=O)NCCC	MCULE-5682477576,PC-id_30862183,ZINC22_23138852,CoCoCo_5277532,EMOLS-id_24913203	420.527	JDRNJIPCDMZTEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132450
c1(NC(=O)c2ccccc2C)c2CSCc2nn1CC(=O)NCCc1ccccc1	CoCoCo_5277831,ZINC22_23139688,MCULE-6945846209,PC-id_30862903,EMOLS-id_24913655	420.527	IQLRYTMYDNKGPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132451
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1CC(=O)NCc1ccccc1	PC-id_44053394,ZINC22_90557754,MCULE-6174102118,EMOLS-id_44394034	420.527	GVBRALXLMWTTBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132452
c1(NC(=O)Cc2cccc(C)c2)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_24913541,PC-id_30862742,CoCoCo_5277766,MCULE-7979569675,ZINC22_23139506	420.527	OQOWALGBRJXTNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132453
c1(NC(=O)CCc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccccc1	ZINC22_23139515,EMOLS-id_24913545,CoCoCo_5277769,MCULE-2625027799,PC-id_30862749	420.527	JGOTVRNNYUEJQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132454
C[C@H](N)C(=O)Nc1nc2c(s1)CCC2C(=O)NC(c1ccccc1)c1ccccc1	PC-id_45487869,CHEMBL569226	420.527	WUSWJSSGQFKUHE-MBIQTGHCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132455
CCN(c1cccc(c1)C)CCNC(=O)c1sc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2	PC-id_18627011,SCHEMBL7147776	420.527	CWYQBDRFKOZNOV-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-132456
CCN(c1cccc(c1)C)CCNC(=O)c1sc2c(c1)/C(=Cc1ccc[nH]1)/C(=O)N2	PC-id_70004144,SCHEMBL7147773	420.527	CWYQBDRFKOZNOV-QGOAFFKASA-N	00000010110000110000000010000000000000000000000000000000	25-01-132457
CCN(c1cccc(c1)C)CCNC(=O)c1sc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2	SCHEMBL7147767	420.527	CWYQBDRFKOZNOV-AQTBWJFISA-N	00000010110000110000000010000000000000000000000000000000	25-01-132458
CCN(CC)c1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324848892	420.527	PDTDFPWRSOKDFP-SILNSSARSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132459
CCN(CC)c1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324867077	420.527	YHQOKSNEZXECJB-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132460
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)COc1ccc(cc1)C	MCULE-1059745737	420.527	YHQOKSNEZXECJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132461
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)CCOc1ccccc1	MCULE-6754651823	420.527	PDTDFPWRSOKDFP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132462
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(N(C)C)cc1	PC-id_16947576	420.527	SRMWVJYNJAEDSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132463
s1c2CCC(c2nc1NC(=O)C(N)C)C(=O)NC(c1ccccc1)c1ccccc1	PC-id_75117004	420.527	WUSWJSSGQFKUHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132464
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C)C)CC(=O)NCc2ccccc2)C1	PC-id_44053393	420.527	HKHWAUAVBNAEKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132465
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053814	420.527	KZCABSBZVOAULE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132466
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053815	420.527	GIWAJHXMDMRALE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132467
S1Cc2c(nn(c2NC(=O)Cc2ccccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053863	420.527	ZGYZRNWWCFNFQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132468
Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)Nc1nc2CCCc2s1	EMOLS-id_323466823,MCULE-2412875156	420.529	SPDVFZCRBIOLST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132469
O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1nc2CCCc2s1	EMOLS-id_323484743,MCULE-7501030639	420.529	BDRPTEBMZFIOGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132470
N#C/C(=C/c1cc(n(c1C)C1CCCCC1)C)/C(=O)Nc1nc2n(c1C#N)CCS2	PC-id_86970787	420.531	AMUWQFXHZQNREM-BOPFTXTBSA-N	00000010110010000001100010000000000000000000000000000000	25-01-132471
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1sccc1)C(=O)N	PC-id_27339903	420.532	KAJITHKOFBOYQZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-132472
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)Cc1sccc1)C(=O)N	PC-id_36987378	420.532	GPLSQQYWSSCSLZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-132473
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)OCCCN1CCC(CC1)C1CC1	PC-id_142844640	420.544	CYVTUMJSNGZXBJ-UHFFFAOYSA-N	00100010100010110000100010000000000000000000000000000000	25-01-132474
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(Cc1ccccc1)Cc1ccccc1	EMOLS-id_328336284,MCULE-4755660037	420.545	RLCOHSHGRSHINR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132475
c1(NC(=O)CCC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6513294400,EMOLS-id_334388762	420.546	BEZWBLFVJIFODY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132476
CC1OC(C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	PC-id_17452421,MCULE-1235757782,EMOLS-id_13489165	420.546	NOBOYOPTHLQXNY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132477
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)C[C@H](C)O1	CoCoCo_3295190,PC-id_25959488,ZINC22_14139695	420.546	NOBOYOPTHLQXNY-KBPBESRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132478
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)C[C@@H](C)O1	PC-id_25959486,ZINC22_14139692,CoCoCo_3295189	420.546	NOBOYOPTHLQXNY-ZIAGYGMSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132479
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)C[C@@H](C)O1	PC-id_25959487,CoCoCo_3295188,ZINC22_14139694	420.546	NOBOYOPTHLQXNY-OKILXGFUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132480
CCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N1CCCC1	MCULE-3674173245,EMOLS-id_3601196,PC-id_9158939,ZINC22_8028787,CoCoCo_3297666	420.546	VHUBXLMEQPBFCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132481
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	MCULE-5373339594,ZINC22_3334508,PC-id_2450680,EMOLS-id_45714607	420.546	PDUXXPLXAMMKRT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132482
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(c(CC)c1)CCC)C(=O)N	PC-id_7651271	420.546	QSABISWDWKJFHI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132483
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1sc(c(CCC)c1)C)C)C(=O)N	PC-id_24498870	420.546	ONGGCTYFDBUSIH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132484
s1c2c(CCC2)c(c1NC(=S)NC(c1cc(OC)c(OC)cc1)C)C(=O)OC	PC-id_19675697	420.546	ZHIWJLDXIBQHSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132485
s1c2c(CCC2)c(c1NC(=S)NC(c1c(OC)ccc(OC)c1)C)C(=O)OC	PC-id_20172481	420.546	SIMLTQQEJYGAHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132486
s1c2c(CCC2)c(c1NC(=S)NCCc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_19649962	420.546	OKDJCOPCDSKVQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132487
S(=O)(=O)(N1CCCCC1)c1cc(NC(=O)c2sc3CCCc3c2)ccc1OC	PC-id_8800196	420.546	AQPBPRNRCHPQIH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-132488
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)C(c1ccccc1)c1ccccc1	MCULE-1166292468,EMOLS-id_186642460	420.547	FZVVGHKVCOCQSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132489
Cc1ccc(cc1)N1CC(CC1=O)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109833	420.547	CAZADTFVARTRQU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132490
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH2+]C(c1ccccc1)c1ccccc1	GD-id_ZINC08320036,PC-id_9445920	420.547	GPCOKLWLJITBHC-OAHLLOKOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132491
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH2+]C(c1ccccc1)c1ccccc1	PC-id_9445916,GD-id_ZINC08320034	420.547	GPCOKLWLJITBHC-HNNXBMFYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132492
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[NH2+][C@@H](c1ccc(cc1)c1ccccc1)C	GD-id_ZINC12914310	420.547	RWOWDCUHWFDXHU-OAHLLOKOSA-O	00000010100000110000100010000000000000000000000000000000	25-01-132493
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[NH2+][C@H](c1ccc(cc1)c1ccccc1)C	GD-id_ZINC12914314	420.547	RWOWDCUHWFDXHU-HNNXBMFYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-132494
s1c2c(CCC2)c(c1NC(=O)C([NH2+]C(c1ccccc1)c1ccccc1)C)C(=O)N	PC-id_85010913	420.547	GPCOKLWLJITBHC-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132495
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1ccc(cc1)C)c1ccccc1)C(=O)N	PC-id_84999926	420.547	ZLWIIXFMIDJIEJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132496
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1ccccc1)C(=O)Nc1cc(ccc1)C	PC-id_7280796	420.547	VPXIGMBLMDLDBO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132497
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1ccc(cc1)C)c1ccccc1)C(=O)N	PC-id_9393441	420.547	ZLWIIXFMIDJIEJ-JOCHJYFZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132498
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1ccc(cc1)C)c1ccccc1)C(=O)N	PC-id_9393451	420.547	ZLWIIXFMIDJIEJ-QFIPXVFZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132499
s1c2c(CCC2)c(c1NC(=O)C[NH+](C(c1ccccc1)c1ccccc1)C)C(=O)N	PC-id_8730412	420.547	OLNPOESSROURCC-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132500
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)N	PC-id_40626505	420.547	ZLCKAZAPZXLNNO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132501
c1(NC(=O)c2ccccc2SCC)c2CSCc2nn1CC(=O)NCCOC	CoCoCo_5277602,EMOLS-id_24913327,PC-id_30862350,ZINC22_23139040,MCULE-3970960397	420.549	FAQPWQDAHRXOJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132502
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)NC1CC1)C)C(=O)N	PC-id_30625905	420.549	DNXYITRLNYTGPX-LBPRGKRZSA-O	00100010100010000001000010000000000000000000000000000000	25-01-132503
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)NC1CC1)C)C(=O)N	PC-id_30625912	420.549	DNXYITRLNYTGPX-GFCCVEGCSA-O	00100010100010000001000010000000000000000000000000000000	25-01-132504
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)NC1CC1)C)C(=O)N	PC-id_85468628	420.549	DNXYITRLNYTGPX-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-132505
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)NCc1sccc1)CC)C(=O)N	PC-id_8906434	420.549	ZLINOWIRBVTFKO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132506
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)CC1CCCC1)C(=O)OC	PC-id_16587736	420.549	CIARXWLGSHJQQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132507
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CCC)C(=O)OC	PC-id_19727023	420.549	REWCSLQJQSACSO-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-132508
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC)C(=O)OCC	PC-id_8723821	420.549	XHFGCOWJZDWROZ-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-132509
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)C)C(=O)OC	PC-id_20125234	420.549	LFYWUJAENAEHQW-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-132510
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC=C)C(=O)OC	PC-id_19717183	420.549	UJFNAMHBWXRAFF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132511
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC=C)C(=O)OCC	PC-id_19716574	420.549	RIAOUAKCWDDTTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132512
S1Cc2c(nn(c2NC(=O)CSCc2ccccc2)CC(=O)NCCOC)C1	PC-id_44053023	420.549	QBRNFYDJIBCGGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132513
S(c1n(c(nn1)C1CC1)C(C)C)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19727145	420.549	CFKNPUALIDTMAS-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-132514
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2CCCc2n1)Cc1ccccc1	PC-id_60501451	420.549	ACAZSYSYGYGKOP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132515
c1(c(CCc2ccccc2)sc(n2cccc2)n1)C(=O)Nc1sc2c(CCC2)n1	MCULE-9073803545,EMOLS-id_323448734	420.55	QQFLAKZTTGLZKA-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-132516
N#Cc1ccc(cc1)CN1CC[NH+](CC1)[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)C	GD-id_ZINC26467791	420.55	UPJLNXDRCPZHOW-INIZCTEOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-132517
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(n(nc1C)c1ccccc1)C)C)C#N	PC-id_9118572	420.55	MXQNOOWUHRQXLJ-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-132518
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)C1CCCCC1)C(=O)N	PC-id_2532814	420.552	VAHYYMUSOZZYAL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-132519
CCOC(=O)c1c(NC(=O)CCCCCC(=O)N2CCCCC2)sc2CCCc12	MCULE-6698804965,EMOLS-id_328212486	420.565	HXBCTNYEOGGMCA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132520
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(C(C)C)C	PC-id_45663327	420.565	PKKRJBLTLJIHCS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132521
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N[C@@H](C(C)C)C	PC-id_41732941	420.565	PKKRJBLTLJIHCS-CQSZACIVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132522
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N[C@H](C(C)C)C	PC-id_41732943	420.565	PKKRJBLTLJIHCS-AWEZNQCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132523
OC[C@H]1C[C@H](c2c1n(C)nc2)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_102145867	420.619	NRKYCOFEPHHEBJ-UXHICEINSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132543
c1(NC(=S)NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2311608,PC-id_2197550,CoCoCo_962010,Chemmine_13833,MCULE-6911642188,ZINC22_2841981	420.569	NSYNYRQPEBBYIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132524
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1	GD-id_ZINC07927328,PC-id_9055302	420.569	HPVUBAWTZGXCJJ-CYBMUJFWSA-O	00000010100100000000000010000000000000000000000000000000	25-01-132525
s1c2c(CCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCC(C)C	PC-id_74489299	420.569	IMUOKBYOUYAIGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132526
s1c2CCCc2cc1C(=O)N(CC(=O)N1CCN(CC1)CC(=O)NC(C)(C)C)C	PC-id_9475250	420.569	OGVAHXUHSQDOGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132527
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)CCN1CCOCC1)C(=O)N	PC-id_56416234	420.569	FJZTUJQHEFMPMF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132528
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC1OCCC1)Cc1sccc1)C(=O)N	PC-id_84916255	420.569	HPVUBAWTZGXCJJ-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-132529
s1c2c(CCC2)c(c1NC(=O)C[NH+](C[C@H]1OCCC1)Cc1sccc1)C(=O)N	PC-id_9055300	420.569	HPVUBAWTZGXCJJ-ZDUSSCGKSA-O	00000010100100000000000010000000000000000000000000000000	25-01-132530
S1Cc2c(NC(=O)CCC3CCCCC3)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053123	420.569	FPFIAPWSYCLZAB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132531
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C/C=C/c1ccccc1)C#N	PC-id_24588753	420.57	NAJSQLQPTYSWQZ-VMPITWQZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132532
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC=Cc1ccccc1)C#N	PC-id_74300049	420.57	NAJSQLQPTYSWQZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132533
Brc1c(C(Cl)c2sc3c(CCC3)c2)cc(Br)c(c1)C	PC-id_81473075	420.59	BNHPLVXLTGPSTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132534
C1(=CC(=C/C=c/c(=C(C#N)C#N)sc3ccsc23)C=C(O1)C(C)(C)C)C(C)(C)C	7153075_OpenMolecule,CT-id_7153075,PC-id_71812654	420.59	QZIGBVFRQDIHAJ-IUXPMGMMSA-N	00000000100011000000000010000000000000000000000000000000	25-01-132535
c12SCCn1cc(CNCc1ccccc1OCC(O)CN1CCSCC1)n2	MCULE-8546662837,PC-id_45199010,EMOLS-id_20524401	420.592	GLTVEFVAGWZFCR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132536
CC(S(=O)(=O)c1cc(NC2CCCCC2)nc(c1)Nc1sc2c(n1)CCC2)C	PC-id_144988102	420.592	YBOLCBROXIIFTQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-132537
O[C@@H](COc1ccccc1CNCc1cn2c(n1)SCC2)CN1CCSCC1	CoCoCo_1306581,PC-id_25278441,ZINC22_12438628	420.592	GLTVEFVAGWZFCR-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132538
O[C@H](COc1ccccc1CNCc1cn2c(n1)SCC2)CN1CCSCC1	PC-id_25278443,CoCoCo_1306580,ZINC22_12438630	420.592	GLTVEFVAGWZFCR-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132539
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1021137940,EMOLS-id_334387231	420.609	QBODPKIOXLXTHJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132540
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@H]1C[C@H](c2c1cnn2C)CO	PC-id_134973457	420.619	NRKYCOFEPHHEBJ-VQTJNVASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132541
OC[C@@H]1C[C@@H](c2c1cnn2C)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_102145865	420.619	SEAJZMSTHIMONF-VQTJNVASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132542
OC(=O)C1CCc2c1nc(s2)Nc1ccc(cc1Cl)I	PC-id_107604343	420.653	DVXYDKCWRNTOHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132544
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)ccc1OC	EMOLS-id_324911108	420.698	FQZKFURQFOIFBB-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132546
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1OC	EMOLS-id_324914180	420.698	WGDBXLZKOUASEJ-XFFZJAGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132547
n12c(=O)c(=Cc3ccc(c(OC)c3)OCC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8884778539	420.698	WGDBXLZKOUASEJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132548
n12c(=O)c(=Cc3ccc(c(OCC)c3)OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-3132517164	420.698	FQZKFURQFOIFBB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132549
Cc1nc2scc(C)n2c1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324911617	420.725	QAKQGIWRABCTEL-BAQGIRSFSA-N	00000000100000000001000110000000000000000000000000000000	25-01-132550
n12c(=O)c(=Cc3c(C)nc4scc(C)n34)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8817074246	420.725	QAKQGIWRABCTEL-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-132551
CN1C(C2=C(SC(=C2C1=O)I)I)O	PC-id_163634510	420.813	HYYPZBGKAUNAOR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132552
Clc1ccc(cc1)Cn1c(nc2c1C(CC2)C(C(=O)O)(C(=O)O)C(=O)O)C(C)C	SCHEMBL14563258,PC-id_71205756	420.844	ILEYEMGJUZSXBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132553
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)Nc1ccc(cc1)Cl	PC-id_90737973	420.85	WAGXJIRFDNCHME-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132554
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)Nc1cc(ccc1)Cl	PC-id_90798937	420.85	KDAISLQKOPBCGZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132555
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1ccccc1Cl	MCULE-9915600335	420.85	KXKBNSLBZBBLDN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-132556
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1ccc(Cl)cc1	MCULE-3028601646	420.85	VZUSBRNHRNNXGN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-132557
[O-][N+](=O)c1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)s1	EMOLS-id_324885002	420.85	KXKBNSLBZBBLDN-GHXNOFRVSA-N	00000000100100110001000010000000000000000000000000000000	25-01-132558
[O-][N+](=O)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)s1	EMOLS-id_324843263	420.85	VZUSBRNHRNNXGN-GHXNOFRVSA-N	00000000100100110001000010000000000000000000000000000000	25-01-132559
Clc1c(OC)c(OC)cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c1	PC-id_16513399	420.867	PLZIERBOZUIZBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132560
COc1ccc(/C=c/sc3c(C#N)cc(C(=O)c4ccc(Cl)cc4)n3c2=O)cc1	ZINC22_35685015	420.868	CKXDRIYIXJULSE-VXLYETTFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132561
Fc1ccc(CN2CCNC(=O)C2CC(=O)NCc2nnc3CCCn23)c(Cl)c1	EMOLS-id_20593099,PC-id_45214921,MCULE-6112462681	420.868	YHUACMWPQSXCBL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132562
N#Cc1cc(n2c1sc(=Cc1ccc(cc1)OC)c2=O)C(=O)c1ccc(cc1)Cl	MCULE-3547835031,EMOLS-id_26201183	420.868	CKXDRIYIXJULSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132563
O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NCc1nnc2n1CCC2	CoCoCo_1407846,ZINC22_55211879,PC-id_25449758,CoCoCo_1407848	420.868	YHUACMWPQSXCBL-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132564
c1(C(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(cc2)Cl)c2CCCc2[nH]n1	MCULE-7276981939,EMOLS-id_323255230	420.934	QHLQMAASAQUPMY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132584
O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NCc1nnc2n1CCC2	ZINC22_55211878,PC-id_25449753,CoCoCo_1407847,CoCoCo_1407845	420.868	YHUACMWPQSXCBL-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132565
Clc1ccc(cc1)CCOC1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5536713,PC-id_69479667	420.89	MDYYXOJRBFHZSG-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132566
Clc1ccc(cc1)CCOC1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5536722,PC-id_69479670	420.89	MDYYXOJRBFHZSG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132567
Clc1cc(C(=O)/N=c/2sc3c(n2CC2CCC2)C(=O)OC3(C)C)c(OC)cc1	SCHEMBL3674929,PC-id_25127937	420.91	DPWATBGNKHXLOY-QOCHGBHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-132568
c1(NC(=O)c2ccccc2Cl)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053145,EMOLS-id_24913383,MCULE-2283080851	420.913	VJTPWNSHTQWJQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132569
Clc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc1	PC-id_44053147	420.913	XXAPNLHBEALVTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132570
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)ccc1	PC-id_44053146	420.913	PCFLQYUADPCJJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132571
Clc1n(nc(c1C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C)CC(C)C	PC-id_7904306	420.913	UIDFGHLEANUMML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132572
Clc1n(nc(c1C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C)CCCC	PC-id_7978490	420.913	ZUPTUEUSNUZMSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132573
CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_7913704,EMOLS-id_42654763,CHEMBL1474263,ChEMBL-DNDi_CHEMBL1474263,MCULE-5854272586,CoCoCo_3583081,CoCoCo_3583080,PC-id_9038004	420.913	PKMHVLRLFNWGPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132574
CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3585146,EMOLS-id_18884923,ZINC22_8037237,CoCoCo_3585145,PC-id_9167371,MCULE-4175464247	420.913	YDJFFYICKAGSJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132575
O=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NC[C@@H]1CCCO1	CoCoCo_5277666,PC-id_30862513,ZINC22_23139218	420.913	VJTPWNSHTQWJQO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132576
O=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NC[C@H]1CCCO1	PC-id_30862516,ZINC22_23139221,CoCoCo_5277667	420.913	VJTPWNSHTQWJQO-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132577
Clc1nc(NC(=O)NS(=O)(=O)c2c3SC(Cc3sc2)C)nc(OC)c1	PC-id_14153204,SCHEMBL9834860	420.915	CNZZAXJLNTVOGU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132578
Clc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_17195669	420.933	WNCJOTOWQHFYOG-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132579
Clc1ccc(C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_73373764	420.933	WNCJOTOWQHFYOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132580
Clc1c(C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_4508502	420.933	GMIFWQBIEJLTDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132581
Clc1c(/C=C/C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_6133854	420.933	GMIFWQBIEJLTDA-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132582
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCOCC2)cc1	PC-id_7381323	420.933	WQWCRUQQZWEPQY-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-132583
Clc1c(CC(P(=C)(C)C)C#N)cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C	PC-id_59933066	420.939	ITHIWVVJKMUFNR-NMWGTECJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132585
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_19114632,MCULE-1162381004	420.953	CJRQBKOYZYNZLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132586
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9117678667,EMOLS-id_334392080	420.953	AYMSIZKTDXCYMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132587
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329050,MCULE-6798823967	420.953	QDSCWVIIUGILCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132588
N#Cc1c(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)sc2c1CCC2	PC-id_9291276,ZINC22_22775811,MCULE-5365570209,CoCoCo_3685576,EMOLS-id_48956607,CoCoCo_3685577	420.979	JSVKCUZTJAWNLC-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-132589
Ic1sc(c2c1C(=O)[C@H]([C@@H]2N)O)I	CoCoCo_5731212	420.994	UROLAUNHKOFXRQ-WUJLRWPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132590
Ic1sc(c2c1C(=O)[C@@H]([C@H]2N)O)I	CoCoCo_5731213	420.994	UROLAUNHKOFXRQ-WVZVXSGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132591
Ic1sc(c2c1C(=O)[C@H]([C@H]2N)O)I	CoCoCo_5731214	420.994	UROLAUNHKOFXRQ-UCORVYFPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132592
Ic1sc(c2c1C(=O)[C@@H]([C@@H]2N)O)I	PC-id_5468211,CoCoCo_5731211	420.994	UROLAUNHKOFXRQ-NQXXGFSBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132593
Ic1sc(I)c2c1C(N)C(O)C2=O	PC-id_499221	420.994	UROLAUNHKOFXRQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132594
CCC[C@H]1n2c(Br)c(cc2[C@@]([C@@H]1CO)(O)C(F)(F)F)Br	PC-id_102046444	421.048	GJIJOCLAOUGXDU-AZTOOPQRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132595
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=NN4	PC-id_164872199	421.061	JGRNVULUJBPQCQ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132596
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3Cl	PC-id_164872214	421.086	ZHPNRFMAZUXDJN-LDJMWSSVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132597
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CN(N=C3)CC(F)(F)F	PC-id_164931887	421.103	SUWUFCSXWQHIJS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132598
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=NN(C=C3)CC(F)(F)F	PC-id_164872299	421.103	IKOZCAOPEHWATI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132599
C=CCCCCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_141406907	421.147	ULUSPCHPEUPDSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132600
CC1=C2CC(CC2=C(S1)C(=O)NCC3=C(C=C(C=C3)OCCCO)Cl)C(C)C	PC-id_163881013	421.148	PTEUINNOQNFHNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132601
ISn1nc(c2c1CC(=O)C2)C(=O)ON1C(=O)CCC1=O	PC-id_143047099	421.168	LKZVGGRALINHSR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132602
Brc1cc(sc1Br)C(=O)NCc1sc2CCCc2c1	PC-id_80536429	421.171	VJKFAMBGRINGEQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132603
Brc1cc(sc1Br)C(NCC)c1sc2c(CCC2)c1	PC-id_80533758	421.214	AVINTGWKAAJMIZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132604
Brc1sc(Br)cc1C(NCC)c1sc2c(CCC2)c1	PC-id_43493157	421.214	WRJHVQVBXJIPBX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132605
Brc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(O)cc1	PC-id_16525365	421.265	XUTFVBSHQUIXNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132606
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2ccc(c(Br)c2)C)n1	MCULE-1414785085	421.288	BWPAHTAKFUBYJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132607
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2ccc(c(Br)c2)C)n1	EMOLS-id_316336436,MCULE-1003085164	421.288	BWPAHTAKFUBYJQ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132608
Brc1cc(C(=O)Nc2nn(NC(=O)NCC)c3C(NCc23)(C)C)ccc1	SCHEMBL2924130,PC-id_68442695	421.292	FHUYBCTWIXEEPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132609
c1(NC(=O)c2ccc(c3ccc(cc3Cl)Cl)o2)sc2c(CCC2)c1C(=O)N	MCULE-4745809972,CoCoCo_576858,ZINC22_16385150,PC-id_2983787,EMOLS-id_2523371	421.297	XZDHBVYQFZXRKP-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-132610
c1(NC(=O)c2ccc(c3ccc(c(Cl)c3)Cl)o2)sc2c(CCC2)c1C(=O)N	CoCoCo_1890985,PC-id_17096526,EMOLS-id_2582121,ZINC22_16385974,MCULE-8456422496	421.297	DVKBDCQBGYYITK-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-132611
c1(NC(=O)c2ccc(c3cc(Cl)ccc3Cl)o2)sc2c(CCC2)c1C(=O)N	EMOLS-id_1729322,MCULE-7713999103,PC-id_1315472,CoCoCo_939137,SPECS-id_AN-153/I244168,ZINC22_1143219,SPECS-id_AG-670/41728637	421.297	NWUMZZYQLKTFEO-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-132612
Clc1cc(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1Cl	PC-id_1667791	421.297	NCWVFZTZAOCAEL-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132613
Clc1cc(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1Cl	PC-id_4277242	421.297	NCWVFZTZAOCAEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132614
Clc1c(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1Cl	PC-id_24347289	421.297	GAPKJYACQGIFOL-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132615
Clc1c(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1Cl	PC-id_74263430	421.297	GAPKJYACQGIFOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132616
Clc1c(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc(Cl)c1	PC-id_3656732	421.297	AUDKTDQAHPXPEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132617
Clc1c(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc(Cl)c1	PC-id_5561688	421.297	AUDKTDQAHPXPEP-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132618
NC(=O)c1c(NC(=O)c2ccc(c3cccc(Cl)c3Cl)o2)sc2c1CCC2	PC-id_22777549,ZINC22_17092596	421.297	XDMSGNWRVIHRJU-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-132619
Clc1ccc(OCCCc2nc3s/c(=Cc4ccc[nH]4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324915718	421.3	UHZOOGQPEIVJFE-GDNBJRDFSA-N	00000000110000110001000010000000000000000000000000000000	25-01-132620
n12nc(nc1sc(=Cc1ccc[nH]1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6214509150	421.3	UHZOOGQPEIVJFE-UHFFFAOYSA-N	00000000110000110001000010000000000000000000000000000000	25-01-132621
c1(NC(=O)C=Cc2cc(Br)ccc2OC)sc2c(CCC2)c1C(=O)N	PC-id_4503676,MCULE-8119611239	421.308	LAQPMBUCVNRKLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132622
COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_6131671,ZINC22_16226464	421.308	LAQPMBUCVNRKLH-VMPITWQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132623
c12CN(Cc1nn(CC1CCCCC1)c2I)Cc1ccccc1	MCULE-9971071960,EMOLS-id_324344933	421.318	SKNTXRHMKCKSJO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132624
S(=O)(=O)(c1cnc(c(Cl)c1)Cl)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_4730899,MCULE-9411864371	421.319	PGOBJIHNGJHFCY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-132625
FC(F)(F)Oc1ccc(c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1228658,PC-id_50913042	421.327	PRVWQOCOTCCZQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132626
Brc1cccc(c1)N1CCN(CC1)CCCn1c(=O)n2c(c1O)CCC2	PC-id_91931500,BindingDB_PC-id_91931500	421.331	NIKBTHGTOPCSNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132627
BrCCCCOC(=O)C1CCc2c1sc(c2C(=O)c1ccccc1)C	PC-id_142631173	421.348	BPBJEZSARMCTFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132628
CC1(Cn2cc(nc2S1(=O)=O)[N+](=O)[O-])COCc1ccc(cc1)OC(F)(F)F	PC-id_137657869	421.348	CCIKOSWCPNPZHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132629
NC(=O)OCC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_68439552,SCHEMBL2915279	421.406	OHYBCHWDGZQHJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132630
O1CCN(c2ccc(CC(=O)Nc3n[nH]c4c3CN(C4)C(=O)c3occc3)cc2)C1=O	PC-id_68439233,SCHEMBL2914474	421.406	QLHXPAUBTKZRQO-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-132631
N#Cc1nc2n(c1C(C1CC1)O)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261648	421.413	XTPAPFPUCRNVFZ-BUSXIPJBSA-N	00100010100000110001000010000000000000000000000000000000	25-01-132632
C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nnc2n1CCC2	ZINC22_58391520,PC-id_52532390	421.416	KLLCJGVNFNAOMK-GXTWGEPZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132633
C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nnc2n1CCC2	ZINC22_58391521,PC-id_52532391	421.416	KLLCJGVNFNAOMK-TZMCWYRMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132634
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nnc2n1CCC2	ZINC22_58391522,PC-id_52532392	421.416	KLLCJGVNFNAOMK-JSGCOSHPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132635
C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nnc2n1CCC2	ZINC22_58391523,PC-id_52532393	421.416	KLLCJGVNFNAOMK-OCCSQVGLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132636
CNC(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_137456594,SCHEMBL20696014	421.416	NYRBIFMCZHHGQZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132637
FC(F)(F)c1cc(CN2CC(CC2=O)C(=O)NC(c2n3CCCc3nn2)C)ccc1	MCULE-1458099738,EMOLS-id_31977076,PC-id_47040618	421.416	KLLCJGVNFNAOMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132638
[O-][N+](=O)c1c(N/N=C/2c3n(nc(n3)C(C)(C)C)N=C2/C=C/C)n(nc1)c1ncccn1	PC-id_58113683	421.416	IARSFIBHCGQTAC-HATGEPTDSA-N	00000011100000100001100010000000000000000000000000000000	25-01-132639
[O-][N+](=O)c1c(NN=C2c3n(nc(n3)C(C)(C)C)N=C2/C=C/C)n(nc1)c1ncccn1	PC-id_70796573	421.416	IARSFIBHCGQTAC-UCMXZAMVSA-N	00000011100000100001100010000000000000000000000000000000	25-01-132640
COC(=O)c1c(NC(=O)CSc2nnc(n2N)C(F)(F)F)sc2c1CCC2	GD-id_ZINC20841547	421.418	HDKNOYYQLJMPQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132641
CC[N+]1(c2c(C(=N1)NC(=O)NCc1ccc(cc1)F)sc(c2)C(=O)OC)C(=O)O	PC-id_90751955	421.423	VBIXZBFJNPFLHJ-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-132642
Fc1cccc(c1)C(=O)N1Cc2c(C1)nc(o2)C(=O)N1CCN(CC1)c1ccncc1	PC-id_97525806	421.424	IYCNMBYIMWKQSS-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-132643
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cn1c(=O)[nH]c(=O)cc1)C(=O)OCC	PC-id_5258430	421.424	BFTXZJQYXYDTQB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132644
c1(NC(=O)c2ccc(N(=O)=O)o2)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053098,EMOLS-id_30132015,MCULE-7297152956	421.428	JRXPEUGHARRCAT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-132645
c1(NC(=O)COc2nonc2C(=O)NCCOCCO)sc2CCCc2c1C#N	EMOLS-id_333715005,MCULE-7344334112	421.428	HNHRLAWOPWJZEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132646
c1(NC(=O)COc2nonc2C(=O)N(CCO)CCO)sc2CCCc2c1C#N	MCULE-2776088397,EMOLS-id_333661897	421.428	GCURVDXKEQCOER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132647
O=C(Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2)NC[C@@H]1CCCO1	PC-id_30862468,ZINC22_23139168,CoCoCo_5277646	421.428	JRXPEUGHARRCAT-JTQLQIEISA-N	00000010101000000001000010000000000000000000000000000000	25-01-132648
O=C(Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2)NC[C@H]1CCCO1	ZINC22_23139172,PC-id_30862471,CoCoCo_5277647	421.428	JRXPEUGHARRCAT-SNVBAGLBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-132649
C(F)(F)(F)C(=O)NCC(c1ccccc1)CC(=O)Nc1sc2CCCc2c1C#N	MCULE-1774443749,EMOLS-id_327902409	421.436	NPHOFSFGCMAASD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132650
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(F)c(OC)cc1)C(=O)OCC	PC-id_27704825	421.439	DUYIWTGZLFJPQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132651
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(F)cccc1)C(=O)OCC	PC-id_24358832	421.439	SPEYNDVCTBIDBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132652
CN(C[C@@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F)C)C	PC-id_58015589,SCHEMBL1206410	421.441	PSLCFZBGDRRAII-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-132653
CN(CC(OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F)C)C	PC-id_66941807,SCHEMBL1206413	421.441	PSLCFZBGDRRAII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132654
COc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(cc1OC)[N+](=O)[O-]	EMOLS-id_328219772,MCULE-3970752241	421.446	QAZIZCTZSGSJOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132655
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(OC)c(OC)cc(c1)/C=C/C(=O)[O-]	PC-id_25987691	421.448	XCUPISIGLKBWKL-VOTSOKGWSA-M	00000010100000110001000010000000000000000000000000000000	25-01-132656
S(=O)(=O)(N(Cc1n2CCCc2nn1)C)c1c(OC)c(OC)cc(c1)C=CC(=O)[O-]	PC-id_74486626	421.448	XCUPISIGLKBWKL-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-132657
c1(C(=O)NCc2ccccc2)cnn2CC(Cc12)NC(=O)c1ccc(nc1OC)OC	MCULE-1594457126	421.449	UPESULRCTZOQDX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132658
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1ccc(nc1OC)OC	EMOLS-id_316318518,MCULE-6649935139	421.449	UPESULRCTZOQDX-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-132659
CCCN1Cc2c(C1=O)c(c([nH]2)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccon1)C	SCHEMBL10090772,PC-id_59761436	421.449	NADSIAPQVXZNQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132660
COc1ccc(c(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)OC	PC-id_68442316,SCHEMBL2923236	421.449	IIVGUJSDWLYHLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132661
COc1cccc(c1C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NCc1ccccc1)OC	PC-id_68440352,SCHEMBL2917565	421.449	IHVDIAAHALWBMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132662
COc1ccc(cc1OC)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	SCHEMBL2922986,PC-id_68442234	421.449	XAKVPUODQCNIFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132663
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68441338,SCHEMBL2920585	421.449	XHKOMPOJJIAAGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132664
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC2(CCOCC2)c2ccc(cc2)C)n1	SYN-20051077,EMOLS-id_30439691,CoCoCo_497247,PC-id_46971867,ZINC22_19208695,MCULE-5512819100	421.456	UOCYNQGRYCVPPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132665
O(C(=O)c1c(N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)n(nc1)c1ncccc1)CC	PC-id_59702920	421.456	PCMXUKXKZDXCNA-IWIPYMOSSA-N	00000011100000101001100010000000000000000000000000000000	25-01-132666
O(C(=O)c1c(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)n(nc1)c1ncccc1)CC	PC-id_71096443	421.456	PCMXUKXKZDXCNA-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-132667
CCSCNC(=O)C(=O)c1c2CCCn2c(c1C)C(=O)Nc1cc(c(cc1)F)F	PC-id_134303072,SCHEMBL19920796	421.461	UZVZZKZTIHUZQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132668
Cn1nc(CN(Cc2ccco2)S(=O)(=O)Cc2cc(F)ccc2F)c2c1CCC2	PC-id_86266561,ZINC22_217907792,EMOLS-id_50145294,MCULE-1163739622	421.461	VPOVNYGZDGTNBE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-132669
COc1cc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)ccc1OC(F)F	CoCoCo_3584792,CoCoCo_3584791,MCULE-3565934709,PC-id_2112949,ZINC22_2649798,EMOLS-id_48935247	421.461	LFBIPTOKQJJTQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132670
Fc1cc(F)cc(c1)CS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109636	421.461	XNGFMYSNRNLIPW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-132671
O=C(CNC(=O)c1cc2c(s1)CCC2)Nc1cc(F)c(F)cc1N1CCOCC1	PC-id_146087439,EMOLS-id_324041229,ZINC22_1875256987,MCULE-6255375029	421.461	LFEFJOXHJHLLAF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132672
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)c1cccc(c1)C(F)(F)F	PC-id_111233993	421.463	VIQZSHOGOSQYJL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132673
CN=C(NC1CCN(C1)Cc1ccc(cc1)C(F)(F)F)NCc1nnc2n1CCC2	PC-id_111922765	421.463	FCWMOMLDJJIVKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132674
COC(=O)CC(c1ccc(cc1)OCc1ccccc1)N1C(=O)c2cscc2C1=O	PC-id_89617371,SCHEMBL15015496	421.466	PLMRNLCPALMOOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132675
CC(C)(O)C#CC#Cc1cc2n(c1)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C2	PC-id_118368794,SCHEMBL18729987,CHEMBL4450249	421.467	AYTKPADAIZUCBP-LJQANCHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132676
CCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)sc2c1CCC2	ZINC22_3454063,EMOLS-id_3467903,PC-id_2574380,CoCoCo_3064775,MCULE-6327495592	421.467	CADAEYWRZCVJBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132677
CC(=O)OCOC(=O)C1=C(SC2Cn3c(C2)ncc3)[C@@H]([C@H]2N1C(=O)[C@@H]2[C@H](O)C)C	SCHEMBL13839486,PC-id_57643939	421.467	UEMMSZDRDPEMBN-GCCNALETSA-N	00001011100000000001001010000000000000000000000000000000	25-01-132678
Fc1ccc(cc1)c1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)o1	ZINC22_27022379,EMOLS-id_45970404	421.467	CRMFDNQJAQMMOS-KWKAUDIHSA-N	00000000101100110001100010000000000000000000000000000000	25-01-132679
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1cccs1	MCULE-5945100317	421.467	CRMFDNQJAQMMOS-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-132680
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC(O)(C)C)C	SCHEMBL18729989	421.467	AYTKPADAIZUCBP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132681
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(CCCC)C(=O)C1=O)C(=O)OCC	PC-id_3983527	421.467	VZJJJMDLIJVYAQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132682
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCOC(=O)C)C1Cn2c(ncc2)C1	PC-id_76574153	421.467	UEMMSZDRDPEMBN-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-132683
c12c(CCC1C(=O)Nc1ccc(cc1)C(=O)OC)sc(NC(=O)c1ccccc1)n2	MCULE-8617102746,Chemmine_45412,EMOLS-id_12346263,PC-id_16947101	421.469	BJLJZHYBQJUBSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132684
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccc(cc1)C	EMOLS-id_1231101,PC-id_1268010,CoCoCo_81817,MCULE-7455208349,BAS-00486981,ZINC22_1081039,ChEMBL-DNDi_CHEMBL3261-0229	421.469	LDLYFGJOPFGBLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132685
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccccc1C	MCULE-2428633409,EMOLS-id_2362715,PC-id_1350740,ZINC22_1188679,Chemmine_24974	421.469	BSSJIEZQFJZPAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132686
COc1cc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc(OC)c1OC	ZINC22_34719758	421.469	LLAAGTWRIAIHBT-BXCLKCLZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132687
COc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc(OC)c1OC	ZINC22_9304390,EMOLS-id_206981050,STOCK4S-55983	421.469	LLAAGTWRIAIHBT-WRJNCIKXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132688
COc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	ZINC22_27022547,EMOLS-id_45970508	421.469	FRYGOSZFFRBLRG-YOAWELAASA-N	00000000100000110001000010000000000000000000000000000000	25-01-132689
COc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	ZINC22_95959942	421.469	FRYGOSZFFRBLRG-JDCCHMEXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132690
COc1ccc(cc1)/C=C/c1nc2n(n1)c(=O)/c(=C/c1ccc(cc1OC)OC)/s2	EMOLS-id_206973820,ZINC22_9184876,STOCK4S-68368	421.469	NNLBCYZBPGRQJN-RILVCTJFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132691
COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1cccc(c1OC)OC)/c2=O	STOCK4S-43558,ZINC22_9281000,EMOLS-id_206973924	421.469	ZCMBHYSNSXCARF-KTYKIUSQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132692
COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1ccc(c(c1)OC)OC)/c2=O	ZINC22_9191947,STOCK4S-33695,EMOLS-id_206966504	421.469	XADYSFPCDRSGJY-UZYLVVNOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132693
COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1cc(OC)ccc1OC)/c2=O	EMOLS-id_300917908,ZINC22_9282037,STOCK4S-51729	421.469	DWLPHJSDIUNQEW-GVUOQNTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132694
COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_45970506,ZINC22_27022543	421.469	GJCQGIYVJCPNKA-UZYLVVNOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132695
COc1ccc(/C=c/sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1	ZINC22_95959941	421.469	GJCQGIYVJCPNKA-MMWWNLEXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132696
COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(OC)cc4OC)/c(=O)n3n2)cc1	ZINC22_33652793	421.469	NNLBCYZBPGRQJN-VIWQMLNCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132697
COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(OC)c(OC)c4)/c(=O)n3n2)cc1	ZINC22_95959951	421.469	XADYSFPCDRSGJY-MMWWNLEXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132698
COc1ccc(/C=C/c2nc3s/c(=C/c4cc(OC)ccc4OC)/c(=O)n3n2)cc1	ZINC22_35127594	421.469	DWLPHJSDIUNQEW-ABWJNHRWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132699
COc1cccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)c1	ZINC22_27022537,EMOLS-id_45970504	421.469	UVODXLAQWJDWLH-ROOVKVKRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132700
COC(=O)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	ZINC22_9131300,PC-id_40945252,CoCoCo_5124714	421.469	BJLJZHYBQJUBSA-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132701
COC(=O)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	ZINC22_9131301,CoCoCo_5124715,PC-id_40945253	421.469	BJLJZHYBQJUBSA-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132702
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-2623091722,EMOLS-id_31274866	421.469	GJCQGIYVJCPNKA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132703
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8858410931,EMOLS-id_31274868	421.469	FRYGOSZFFRBLRG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132704
n12nc(nc1sc(=Cc1ccc(cc1OC)OC)c2=O)C=Cc1ccc(cc1)OC	MCULE-5106506692,EMOLS-id_26347523	421.469	NNLBCYZBPGRQJN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132705
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)C=Cc1ccc(c(OC)c1)OC	EMOLS-id_31274864,MCULE-5066620583	421.469	UVODXLAQWJDWLH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132706
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)C=Cc1ccc(cc1)OC	EMOLS-id_26340981,MCULE-5165858034	421.469	ZCMBHYSNSXCARF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132707
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)C=Cc1ccc(cc1)OC	MCULE-1129249212,EMOLS-id_26338483	421.469	XADYSFPCDRSGJY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132708
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)Cc1ccccc1	MCULE-4853728798	421.469	XIEKPOCGVAHIBE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132709
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)C=Cc1ccc(cc1)OC	EMOLS-id_26343079,MCULE-6826921906	421.469	DWLPHJSDIUNQEW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132710
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)C=Cc1ccccc1	EMOLS-id_26344227,MCULE-7654591902	421.469	LLAAGTWRIAIHBT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132711
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(NCc2occc2)cccc1)C#N	PC-id_16505063	421.469	KMRXMSOMSDXLTL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-132712
Cc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1	SCHEMBL1367934,PC-id_59474145,BindingDB_PC-id_59474145,BindingDB-id_218934	421.471	YBYOVILHKRZTMP-WMLDXEAASA-N	00100010100000110001100010000000000000000000000000000000	25-01-132713
CCOC(=O)C1CCc2c1nc(s2)NC(=O)CN(C(=O)c1cn(nc1OC)C)C	PC-id_121092267	421.471	AWOXVYMFQNSJOK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132714
CN1CC(C1)Cn1nc2c(c1)CN(C2)C(=O)Nc1nc(ccc1N)c1ccc(cc1)F	SCHEMBL18379799	421.471	QJNKHWOBQZLQLD-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-132715
CN1CC(C1)Cn1ncc2c1CN(C2)C(=O)Nc1nc(ccc1N)c1ccc(cc1)F	SCHEMBL18380032	421.471	HPDKHSJVMPUHSY-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-132716
Cn1nc(CN(Cc2ccco2)C(=O)N2CCN(C2=O)S(=O)(=O)C)c2CCCc12	EMOLS-id_53872625,MCULE-8464656429,PC-id_86266548	421.471	LCTADMIBTIRNHV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-132717
Fc1c(Nc2n[nH]c3C(N(C(=O)NC4C(C4)c4ccccc4)Cc23)(C)C)nc(nc1)C	SCHEMBL1367931,PC-id_67007822	421.471	YBYOVILHKRZTMP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-132718
S(=O)(=O)(N1CCN(CC1)C)c1cc([N+](=O)[O-])c(NCc2n3CCCc3nn2)cc1	PC-id_24590569	421.474	HMKPGJNWUGRSMR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132719
c1(NC(=O)CNc2ccc(c(c2)n2cnnn2)OCC=C)sc2c(CCC2)c1C#N	EMOLS-id_320614591,MCULE-8367443040	421.476	ZBEGTEPGZKDLQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132720
c1(NC(=O)CNc2ccc(c(OCC=C)c2)n2cnnn2)sc2c(CCC2)c1C#N	EMOLS-id_320625588,MCULE-7133830223	421.476	WSCBBSBATSMCHC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132721
n12nc(nc1sc(=Cc1ccccc1OCCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-3391191383	421.487	PTKKZLKDUUKBKI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132722
n12nc(nc1sc(=Cc1ccc(cc1)OCCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-8273686870	421.487	PDLSLLPXNMNDEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132723
COc1ccc(cc1OC)/C=C/C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_117054876	421.489	CPUXCZDQPPKFKN-ZRDIBKRKSA-N	00000010101000110001000010000000000000000000000000000000	25-01-132724
COc1ccc(cc1OC)C=CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109380	421.489	CPUXCZDQPPKFKN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-132725
c1(NC(=S)Nc2ccc(cc2N(=O)=O)OCC)sc2c(CCC2)c1C(=O)OC	TIMTEC25138,ChEMBL-DNDi_CHEMBL7831670,PC-id_2957516,CoCoCo_1001570,EMOLS-id_2004059,ZINC22_16361075,MCULE-2708158793	421.491	AARZRMNSFMVFAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132726
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)NCC=C)C(=O)OC	PC-id_16519313	421.491	CPTVRGXQFGSFER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132727
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1sc(cc1)C)C(=O)N	PC-id_5003626	421.491	DFJCCVKCHKHMEQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132728
O1CCN(CCC(=O)Nc2c(n3c(CCC3)c2C#N)C(=O)Nc2c(cccc2)C)CC1	PC-id_51039306	421.492	ZCHZTTZJRDWCEE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132729
CCOC(=O)c1cnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nc1N	MCULE-4555055195,CoCoCo_3112946,PC-id_2448418,ZINC22_3332312,EMOLS-id_3343063	421.494	LSMDTEXKROMZHV-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132730
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)CCc3c(C)nn(C)c3C)Cc12	EMOLS-id_317447550,MCULE-1622029789	421.495	SPPOIMUNQNTLIP-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-132731
C[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1c1ccccc1)c1nnc2n1CCC2	ZINC22_95461165,PC-id_97257588	421.495	SFXMUKDHUXGUER-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132732
C[C@@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1c1ccccc1)c1nnc2n1CCC2	ZINC22_95461166,PC-id_97257589	421.495	SFXMUKDHUXGUER-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132733
O=C(C(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)NC(c1nnc2n1CCC2)C	PC-id_75400208,MCULE-8434755622,EMOLS-id_48318558	421.495	SFXMUKDHUXGUER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132734
CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(F)(F)C(C)(C)C)sc2CCCc12	EMOLS-id_328079264,MCULE-7522007126	421.501	JVJNJJKYBPTNKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132735
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(F)c(OC)cc1)C)C(=O)OCC	PC-id_9431878	421.506	ARSBNPFYJHWHPI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132736
s1c2c(CCC2)c(OCC(O)CNCCc2cc(OC)c(OC)cc2)c1C(=O)O	PC-id_3069900	421.507	BCDBUZFKPMKUNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132737
c1(NC(=O)C(C)Oc2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_4067490,MCULE-8092345563	421.509	JDFDOUAPUGNYJY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132738
c1(NC(=O)COc2ccc(cc2)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	PC-id_19172403,MCULE-3641029066	421.509	PIUNIRXGEYJHDB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132739
c1(NC(=O)COc2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	SCHEMBL8289622,MCULE-6545963618,PC-id_1586050,CoCoCo_1699996,ZINC22_1800705,EMOLS-id_662909,TIMTEC389698	421.509	PULGTCGRFOAQQW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132740
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=C/c1cccc(c1)C	SCHEMBL1004774,PC-id_66873735	421.509	LQHKNHSMQOWFLP-RGEXLXHISA-N	00000010100000110000000010000000000000000000000000000000	25-01-132741
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=Cc1cccc(c1)C	SCHEMBL1004775	421.509	LQHKNHSMQOWFLP-XMHGGMMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-132742
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)Nc1c(OC)ccc(c1)C	PC-id_16505586	421.509	MUEYJVAQGYYZMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132743
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)Nc1c(OCC)cccc1	PC-id_16505587	421.509	RQAOBWRPWHKRNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132744
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(OCc2ccccc2)cc1)C	PC-id_78464106	421.509	IXQWHWFQFNBDJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132745
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1ccc(OC)cc1)c1ccccc1	PC-id_78716722	421.509	GRFJQBFYRZVHEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132746
s1c2CCCc2cc1C(=O)OCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1	PC-id_8522593	421.509	GRFJQBFYRZVHEP-HSZRJFAPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132747
s1c2CCCc2cc1C(=O)OCC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1	PC-id_8522594	421.509	GRFJQBFYRZVHEP-QHCPKHFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132748
s1c2CCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)Nc1c(OC)ccc(c1)C	PC-id_7238711	421.509	MUEYJVAQGYYZMS-JOCHJYFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132749
s1c2CCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)Nc1c(OC)ccc(c1)C	PC-id_7238712	421.509	MUEYJVAQGYYZMS-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132750
s1c2CCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)Nc1c(OCC)cccc1	PC-id_7623576	421.509	RQAOBWRPWHKRNE-JOCHJYFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132751
s1c2CCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)Nc1c(OCC)cccc1	PC-id_7623578	421.509	RQAOBWRPWHKRNE-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132752
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)C	PC-id_7238863	421.509	IXQWHWFQFNBDJO-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132753
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)C	PC-id_7238864	421.509	IXQWHWFQFNBDJO-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132754
s1c2c(CCC2)c(c1NCc1c(OC(=O)c2ccccc2)cccc1)C(=O)OCC	PC-id_24130149	421.509	ZTQHSKHILNHYDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132755
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCc2ccccc2)cc1)C(=O)OC	PC-id_4956340	421.509	PPMNAXDXMFZSJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132756
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCc2ccccc2)ccc1)C(=O)OC	PC-id_17134307	421.509	UCEVZRRZUNCRSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132757
s1c2c(CCC2)c(c1NC(=O)c1c(OCCc2ccccc2)cccc1)C(=O)OC	PC-id_19628098	421.509	RYSJUSWCDSYECG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132758
CCCCCCCCCCOc1cc(n2[n+]1CCC2)OCCCCCCCCCC	PC-id_102299508	421.679	BXYOGFXLIDYGAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132972
s1c2c(CCC2)c(c1NC(=O)[C@H](Oc1ccc(cc1)c1ccccc1)C)C(=O)OC	PC-id_1677689	421.509	JDFDOUAPUGNYJY-OAHLLOKOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132759
s1c2c(CCC2)c(c1NC(=O)[C@@H](Oc1ccc(cc1)c1ccccc1)C)C(=O)OC	PC-id_1677690	421.509	JDFDOUAPUGNYJY-HNNXBMFYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132760
S(=O)(=O)(n1c2CCC(=Cc3cc(ccc3)C)c2cc1C(=O)OC)c1ccc(cc1)C	PC-id_66873736	421.509	LQHKNHSMQOWFLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132761
c1(cc(c2ccc(F)cc2)nn1C)C(=O)N(C1CCCC1)Cc1c2CCCc2n(C)n1	EMOLS-id_50145358,MCULE-1140295217,PC-id_86266596	421.51	PFSLCTWNBZOCHV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-132762
c1(NC(=O)CN2CCN(CC2)C(=O)C2CCCO2)sc2c(CCC2)c1C(=O)OC	PC-id_6470573,MCULE-1717451955,EMOLS-id_2549101,TIMTEC453005	421.51	SNAVJJZYVBAELW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132763
CCOc1cc(ccc1OCC)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	CoCoCo_4982168,PC-id_4338771,ChEMBL-DNDi_CHEMBLF0541-0067	421.51	NJKAJIYZURIEBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132764
CCOC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(C)CC(C)C)sc2c1CCC2	MCULE-7754046689,EMOLS-id_3153164,PC-id_4284579	421.51	WNDOQHRQLGSNEU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132765
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)sc2c1CCC2	PC-id_2495541,CoCoCo_2792464,ZINC22_3377520	421.51	WNDOQHRQLGSNEU-HXUWFJFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132766
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)sc2c1CCC2	ZINC22_3377517,PC-id_2495538,CoCoCo_2792463	421.51	WNDOQHRQLGSNEU-FQEVSTJZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132767
COC(=O)c1c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)sc2c1CCC2	CoCoCo_1053866,ZINC22_35802754,PC-id_8067400	421.51	SNAVJJZYVBAELW-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132768
COC(=O)c1c(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)sc2c1CCC2	ZINC22_35802756,PC-id_8067402,CoCoCo_1053867	421.51	SNAVJJZYVBAELW-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132769
COC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(C)CCC(C)C)sc2c1CCC2	PC-id_4092855,MCULE-6723681986,EMOLS-id_3045298	421.51	FKDCYJGTUMXMIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132770
COC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)sc2c1CCC2	PC-id_2376951,CoCoCo_2792753,ZINC22_3260180	421.51	FKDCYJGTUMXMIK-FQEVSTJZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132771
COC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)sc2c1CCC2	ZINC22_3260181,CoCoCo_2792752,PC-id_2376952	421.51	FKDCYJGTUMXMIK-HXUWFJFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132772
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C(=O)NC(=O)NC	PC-id_45663353	421.51	AMYVTXAWVSYLNH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132773
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NCC	PC-id_45663349	421.51	KVSNNEDYQQNOSW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132774
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C)C(=O)NC(=O)NC	PC-id_51481558	421.51	AMYVTXAWVSYLNH-NSHDSACASA-N	00000010100010000000000010000000000000000000000000000000	25-01-132775
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C)C(=O)NC(=O)NC	PC-id_51481559	421.51	AMYVTXAWVSYLNH-LLVKDONJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132776
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCC)CCC)C(=O)OC	PC-id_45605278	421.51	SNOVWXOZQHLDAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132777
c12c(CCC1C(=O)NCCc1ccc(cc1)OC)sc(NC(=O)c1ccccc1)n2	EMOLS-id_12346199,MCULE-6054263013,PC-id_16947069	421.512	ZYFZGTMSCRSGBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132778
c12c(CCC1C(=O)NCCc1ccccc1OC)sc(NC(=O)c1ccccc1)n2	MCULE-5292048901,EMOLS-id_12346195,Chemmine_45410,PC-id_16947067	421.512	OZENKMVEFWUIBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132779
c12c(CCC1C(=O)NCCc1ccccc1)sc(NC(=O)c1ccc(cc1)OC)n2	EMOLS-id_12347783,MCULE-8103054244,PC-id_16947860	421.512	KBCOGRPYTYOXAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132780
c12c(CCC1C(=O)NCCc1cccc(OC)c1)sc(NC(=O)c1ccccc1)n2	MCULE-6241275959,Chemmine_45414,PC-id_16947143,EMOLS-id_12346347	421.512	XNDJIKKRJHABTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132781
c1(c2CCCc2sc1NCc1cccnc1)C(=O)Nc1ccc(cc1)C(=O)OCC	CoCoCo_306041,PC-id_1166860,EMOLS-id_1439563,ZINC22_920850,MCULE-6237411033,BAS-03715668	421.512	UAMWKTFCQJLPEJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132782
c1(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2160446,EMOLS-id_5442961,MCULE-6361058863	421.512	HJKQUEYZBGJRGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132783
c1(NC(=O)c2ccccc2OCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-1253232900,ZINC22_4840263,PC-id_2987087,TIMTEC94154,EMOLS-id_2527532,CoCoCo_582462	421.512	CCQNBXURAPEWNU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132784
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-6146625941,PC-id_18883980	421.512	GRDYPDQHTPMJHM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132785
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-1948791171,PC-id_18884016	421.512	URJHRJUXNPDICX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132786
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OC)c2ccccc2)n(C)nc2CSCc12	MCULE-6896763901	421.512	WJKPJAWZOFRKJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132787
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	TIMTEC316257,EMOLS-id_9388337,ZINC22_27663093,CoCoCo_6329952,MCULE-4165346204,PC-id_17012682	421.512	MQLXQEKTLREBIC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132788
c1(NC(=O)COc2ccccc2C)sc2c(CCC2)c1C(=O)NCc1cccnc1	ZINC22_27663110,PC-id_17012687,EMOLS-id_9388345,TIMTEC364366,MCULE-1122084292,CoCoCo_6329960	421.512	OSFDMCMIOUBZDF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132789
c1(NC(=O)COc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	ZINC22_27663090,MCULE-1814396738,CoCoCo_6329951,EMOLS-id_9388375,TIMTEC433497,PC-id_17012681	421.512	RRMRQPULTXGMDD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132790
Cc1nc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc1C(=O)OCC=C	EMOLS-id_328224629,MCULE-9239300982	421.512	ICLQGVWCWAXAAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132791
CCc1ccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324892168	421.512	AQHWYVNCPUTNTL-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132792
CCc1ccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1	EMOLS-id_324888591	421.512	UNPZOKBLQVTZEL-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132793
CCc1cccc(OCc2nc3s/c(=Cc4cccc(OC(C)C)c4)/c(=O)n3n2)c1	EMOLS-id_324889612	421.512	FWAWDJDLRANVEU-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132794
CCc1ccc(OCc2nc3s/c(=Cc4cccc(OC(C)C)c4)/c(=O)n3n2)cc1	EMOLS-id_324888579	421.512	RLQRLFBSCRRFNR-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132795
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)C[S@](=O)C2	CoCoCo_4985523,ZINC22_4106232,PC-id_11863927	421.512	HJKQUEYZBGJRGP-PMERELPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132796
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)C[S@@](=O)C2	CoCoCo_4985524,ZINC22_2725079,PC-id_11877772	421.512	HJKQUEYZBGJRGP-SSEXGKCCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132797
CCCOc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324837112	421.512	BQCJRKFJXUBLMJ-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132798
CCCOc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324840187	421.512	BUKGNUPHMANYSC-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132799
CCCOc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324849914	421.512	PDUGHLDHXRFAGK-SILNSSARSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132800
CC(C)Oc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324850938	421.512	LIUWUQPHKSFSAH-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132801
CC(C)Oc1cccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1	EMOLS-id_324870156	421.512	HKYMEZBLCQWJDN-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132802
CCCOc1cccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1	EMOLS-id_324873227	421.512	RVVROTQRKPKPTE-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132803
CCCOc1cccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1	EMOLS-id_324875278	421.512	ORVQNRQTGZOTBG-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132804
CC(C)Oc1cccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1	EMOLS-id_324876302	421.512	XAJBPCQPRLNPOW-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132805
CC(C)Oc1cccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)c1	EMOLS-id_324882433	421.512	HETKDGPWAYQPKG-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132806
CCCOc1cccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)c1	EMOLS-id_324885504	421.512	NVOCUJLXHFXBJC-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132807
CCCOc1cccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)c1	EMOLS-id_324887555	421.512	ZGRGLEQKUBJBIR-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132808
CCCOc1cccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)c1	EMOLS-id_324888588	421.512	GTKCALUZMDNSPO-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132809
CCOc1cc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)ccc1OC	EMOLS-id_324908033	421.512	GRQDIPXNHFGUPO-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132810
CCOc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324839163	421.512	KJXJNNOWZSLDTM-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132811
CCOc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_324907010	421.512	WZUINKPOJIHWFK-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132812
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)cc1	EMOLS-id_324879873	421.512	FEUCFONBELIKHQ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132813
CCOC(=O)c1ccc(cc1)NC(=O)c1c(NCc2ccncc2)sc2c1CCC2	CoCoCo_2720384,PC-id_4406315	421.512	LFDDPXFWWPSBMH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-132814
COc1cc(/C=c/2sc3nc(CC(C)C)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324860643	421.512	UAQKFIIZWDVGDD-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132815
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)(C)C)ccc1OCc1ccccc1	EMOLS-id_324850407	421.512	DGJIUDNDLOMPSU-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132816
COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccccc3)nc12	CoCoCo_5124700,PC-id_40945182,ZINC22_9131225	421.512	OZENKMVEFWUIBE-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132817
COc1ccccc1CCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccccc3)nc12	PC-id_40945183,CoCoCo_5124701,ZINC22_9131226	421.512	OZENKMVEFWUIBE-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132818
COc1ccccc1OCc1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324868108	421.512	ZKTKJEQGACUWJJ-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132819
COc1ccc(Cc2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)cc1OC	EMOLS-id_324926982	421.512	BVPDDFKCKBETES-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132820
COc1cccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc23)c1	CoCoCo_5124726,ZINC22_9131384,PC-id_40945334	421.512	XNDJIKKRJHABTA-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132821
COc1cccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc23)c1	ZINC22_9131385,PC-id_40945335,CoCoCo_5124727	421.512	XNDJIKKRJHABTA-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132822
COc1ccc(/C=C(/C(=O)Nc2c3CSCc3nn2C)c2ccccc2)cc1OC	EMOLS-id_334564538	421.512	WJKPJAWZOFRKJD-GZTJUZNOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132823
COc1ccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	CoCoCo_5124702,PC-id_40945186,ZINC22_9131229	421.512	ZYFZGTMSCRSGBS-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132824
COc1ccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1	PC-id_40945187,ZINC22_9131230,CoCoCo_5124703	421.512	ZYFZGTMSCRSGBS-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132825
COc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)c1	EMOLS-id_324870159	421.512	RSYCFYCPWTURPX-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132826
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCCc2ccccc2)cc1	PC-id_41007228,ZINC22_9301369,CoCoCo_5124879	421.512	KBCOGRPYTYOXAC-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132827
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCCc2ccccc2)cc1	PC-id_41007230,CoCoCo_5124878,ZINC22_9301371	421.512	KBCOGRPYTYOXAC-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132828
n12c(=O)c(=Cc3ccc(c(OC)c3)OCc3ccccc3)sc1nc(C(C)(C)C)n2	MCULE-3670440931	421.512	DGJIUDNDLOMPSU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132829
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3120231302	421.512	AQHWYVNCPUTNTL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132830
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-8224499543	421.512	BVPDDFKCKBETES-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132831
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1ccccc1OC	MCULE-9223178015	421.512	ZKTKJEQGACUWJJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132832
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1cccc(OC)c1	MCULE-6676086300	421.512	RSYCFYCPWTURPX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132833
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-7910190677	421.512	UNPZOKBLQVTZEL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132834
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)COc1ccc(cc1)OCC	MCULE-6260036427	421.512	FEUCFONBELIKHQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132835
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)CC(C)C	MCULE-6334892022	421.512	UAQKFIIZWDVGDD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132836
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)Cc1ccccc1	MCULE-9478880980	421.512	CLKYBMHWEDRDEY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132837
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)Cc1ccccc1	MCULE-9367414248	421.512	BQCJRKFJXUBLMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132838
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCCOc1ccccc1	MCULE-3317308118	421.512	PDUGHLDHXRFAGK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132839
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCCOc1ccccc1	MCULE-7270166148	421.512	LIUWUQPHKSFSAH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132840
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1ccc(cc1)CC	MCULE-3251808198	421.512	ZGRGLEQKUBJBIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132841
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1ccc(cc1)CC	MCULE-6792831725	421.512	RLQRLFBSCRRFNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132842
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1c(C)cccc1C	MCULE-1120935019	421.512	HKYMEZBLCQWJDN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132843
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1cccc(C)c1C	MCULE-2428910023	421.512	XAJBPCQPRLNPOW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132844
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1cccc(C)c1C	MCULE-3084688501	421.512	ORVQNRQTGZOTBG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132845
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1cc(C)ccc1C	MCULE-4326335575	421.512	HETKDGPWAYQPKG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132846
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1cc(C)ccc1C	MCULE-7482891543	421.512	NVOCUJLXHFXBJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132847
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1c(C)cccc1C	MCULE-9531366841	421.512	RVVROTQRKPKPTE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132848
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1cccc(CC)c1	MCULE-4024037808	421.512	GTKCALUZMDNSPO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132849
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1cccc(CC)c1	MCULE-6636101327	421.512	FWAWDJDLRANVEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132850
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)CCc1ccccc1	MCULE-3530721747	421.512	BUKGNUPHMANYSC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132851
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)CCc1ccc(cc1)C	MCULE-8652820123	421.512	WZUINKPOJIHWFK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132852
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)CCc1ccccc1	MCULE-3379112844	421.512	KJXJNNOWZSLDTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132853
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)CCc1ccc(cc1)C	MCULE-2217786630	421.512	GRQDIPXNHFGUPO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132854
NCCC[C@H](N1Cc2c(C1=O)sc(n2)C(c1ccccc1)c1ccccc1)C(=O)O	PC-id_122392664	421.512	VKXQMYQMCSHXNP-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132855
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(c(OC)cc1)C	PC-id_16947627	421.512	HPZUUXSVCPNFRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132856
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_16947573	421.512	DJZGVUKELNYZFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132857
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(OC)ccc(c1)C	PC-id_16947605	421.512	PNYSBWVTEYYTSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132858
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(OC)cc(cc1)C	PC-id_16947626	421.512	FJRBCAWZYZIPLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132859
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(OCC)cccc1	PC-id_16947572	421.512	UIUZDXCTSORDLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132860
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCc1ccc(OC)cc1	PC-id_16947534	421.512	YYBNJGVJOOXKBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132861
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCc1cc(OC)ccc1	PC-id_16947620	421.512	WTKZUQZDSWJFSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132862
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCc1c(OC)cccc1	PC-id_16947535	421.512	GGGOMVQOVDJQRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132863
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(cc1)CC	PC-id_16947875	421.512	CUNBMEBAHQKWEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132864
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_16947903	421.512	IWLXEAJKFNKLIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132865
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(cc(cc1)C)C	PC-id_16947904	421.512	WPJOMWQVIVTWKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132866
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_16947905	421.512	ZYNXPMISUPOCIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132867
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_16947906	421.512	RJMWVHBALFLDRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132868
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(cccc1C)C	PC-id_16947907	421.512	CARUDSZQBUZFBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132869
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_16947908	421.512	DHCFAFTXMLXHGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132870
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(CC)cccc1	PC-id_16947874	421.512	ZIVOKPCTDFOOMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132871
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccc(cc1)C	PC-id_16947852	421.512	IVTSXXUQLVXCNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132872
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NC(c1ccccc1)C	PC-id_16947854	421.512	NWAQDGUTYGHWLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132873
Cc1nc(cs1)c1ccc(s1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	SCHEMBL14056468,PC-id_89237817	421.514	ACKGJKLEMQRKTH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-132874
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1sccc1)C(=O)OC	PC-id_5225304	421.514	JRJRZMRKHXGRRC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-132875
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)NC(=O)c1cccs1)C	SCHEMBL15252632,PC-id_89800961	421.515	LAQDCHIEPAJERI-UHFFFAOYSA-N	00100010100100110001100010000000000000000000000000000000	25-01-132876
Cc1nc(sc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)n1cccc1	PC-id_92109266	421.515	STLYNWFFQYSYAG-UHFFFAOYSA-N	00000010111000000001100010000000000000000000000000000000	25-01-132877
Cn1nc(cc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1cccs1	PC-id_92109487	421.515	ARKKKSLIAJJMKK-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-132878
O=C(c1ccc(nn1)N1CCC(CC1)Cc1ccccc1)Nc1onc2c1CSC2	PC-id_121028468	421.515	BNGWIWMBSPRZAE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-132879
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccs1)N[C@H]1C[C@@H]1c1ccccc1	PC-id_58015706,SCHEMBL12879411	421.515	LAQDCHIEPAJERI-ZBFHGGJFSA-N	00100010100100110001100010000000000000000000000000000000	25-01-132880
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccs1)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL15252635	421.515	LAQDCHIEPAJERI-GOEBONIOSA-N	00100010100100110001100010000000000000000000000000000000	25-01-132881
CCOc1ccc(cc1F)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110059	421.529	SEXMHIXEXCKWOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132882
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_5138001,ZINC22_4496200,EMOLS-id_5565044,PC-id_7254277,MCULE-5024087994	421.53	JVWHOILLQVZSSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132883
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)CC)C	PC-id_3894810	421.53	KWIYGHXALMJYGH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132884
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)C)CC	PC-id_7238838	421.53	WQTGYYLWXOGMIB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132885
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(C(C)C)cc1C(=O)OCC	PC-id_4213576	421.53	LKWVWVXHBJKPRL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132886
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)OCC	PC-id_41148573	421.53	PWYWKQQZLGMWTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132887
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C(=O)OCC	PC-id_41147880	421.53	HEZPDOIIIJBSJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132888
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(=O)OCC	PC-id_41145816	421.53	CYFUXGSOQAHJBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132889
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)OC	PC-id_16837997	421.53	STIXZZWPSVRNTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132890
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)OC	PC-id_41273438	421.53	YEUSUNYOIYVECE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132891
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)C(=O)OCC	PC-id_41273076	421.53	QERWEEDKAWTXLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132892
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)Cc1ccccc1)C(=O)OC	PC-id_41611825	421.53	NKHGJQZGCMZDNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132893
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C(=O)OCC	PC-id_41582833	421.53	BDQXMTBROKKQEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132894
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(c(c1)C)CC)C(=O)OCC	PC-id_7651226	421.53	JGAYHEJVRAYBJS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132895
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCc1sccc1)C(=O)OCC	PC-id_7962481	421.53	ZMHSBSUZUIPCMS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-132896
S1(=O)(=O)C[C@H](n2c(c(cc2C)C(=O)COC(=O)c2sc3CCCc3c2)C)CC1	PC-id_7623597	421.53	XQFZEXHIYAGMMB-OAHLLOKOSA-N	00000010110000000000100010000000000000000000000000000000	25-01-132897
S1(=O)(=O)C[C@@H](n2c(c(cc2C)C(=O)COC(=O)c2sc3CCCc3c2)C)CC1	PC-id_7623600	421.53	XQFZEXHIYAGMMB-HNNXBMFYSA-N	00000010110000000000100010000000000000000000000000000000	25-01-132898
S1(=O)(=O)CC(n2c(c(cc2C)C(=O)COC(=O)c2sc3CCCc3c2)C)CC1	PC-id_45637914	421.53	XQFZEXHIYAGMMB-UHFFFAOYSA-N	00000010110000000000100010000000000000000000000000000000	25-01-132899
CCCCCOc1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109561	421.532	JNHRFLDUZOVVSP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-132900
COC(=O)c1c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)sc2c1CCC2	PC-id_2460550,GD-id_ZINC03344064	421.532	NPUIESWDQYQIEK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132901
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)Cc1ccc(cc1)N	EMOLS-id_328216955,MCULE-2972501661	421.533	XXKWFXNSWRDKCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132902
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(c1)Cc1cccc(N)c1	MCULE-7835908810,EMOLS-id_328220286	421.533	KVOYFHYTXVIQHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132903
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCc1ccc(cc1)c1cccnc1	MCULE-7470337001,EMOLS-id_328213883	421.533	JWZCBOOVYCGQMM-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-132904
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)sc2c(CCC2)c1C(=O)N	EMOLS-id_177528190,PC-id_3967300,MCULE-9639955035,ZINC22_16004369	421.534	DFAACMMTTVFCMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132905
c1(oc(C)cc(=O)c1O)C1(CCSCC1)CC(=O)NCc1cn2c(SCC2)n1	PC-id_139029823,MCULE-4637258388,EMOLS-id_320359445,ZINC22_1776111679,STOCK7S-74748	421.534	KZFYBMSBTQOLIZ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-132906
CC1OC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(n1)CCC2	MCULE-5015456909,EMOLS-id_11916839,PC-id_17549506	421.534	TVLXIYVBQZNBOD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132907
CC1OC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2c(n1)CCC2	PC-id_45853077,MCULE-1168973147,EMOLS-id_24128282	421.534	JUXSWOOPIBLAAJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132908
CCc1cc(=O)[nH]c(n1)SC(C)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OCC	PC-id_136630455	421.534	FTCYXYGGGVAIJQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132909
CCc1cc(=O)[nH]c(n1)S[C@@H](C)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OCC	PC-id_135561559	421.534	FTCYXYGGGVAIJQ-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-132910
CCc1cc(=O)[nH]c(n1)S[C@H](C)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OCC	PC-id_135561560	421.534	FTCYXYGGGVAIJQ-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132911
CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)n1	CoCoCo_2965525,PC-id_135521064,CoCoCo_2965527,MCULE-1218946697,ZINC22_17751231,EMOLS-id_43737320,CoCoCo_2965526	421.534	GTVYRTMJWJMCMM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132912
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)C[C@@H](C)O1	CoCoCo_4164260,ZINC22_12855365,PC-id_25555278	421.534	JUXSWOOPIBLAAJ-CHWSQXEVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132913
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)C[C@@H](C)O1	PC-id_25555284,CoCoCo_4164259,ZINC22_12855375	421.534	JUXSWOOPIBLAAJ-BETUJISGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132914
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)C[C@H](C)O1	ZINC22_12855382,CoCoCo_4164261,PC-id_25555292	421.534	JUXSWOOPIBLAAJ-STQMWFEESA-N	00000010100010110001000010000000000000000000000000000000	25-01-132915
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)C[C@@H](C)O1	CoCoCo_4164127,PC-id_25401370,ZINC22_12621259	421.534	TVLXIYVBQZNBOD-BETUJISGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132916
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)C[C@H](C)O1	ZINC22_9502960,CoCoCo_4164128,PC-id_41099157	421.534	TVLXIYVBQZNBOD-STQMWFEESA-N	00000010100010110001000010000000000000000000000000000000	25-01-132917
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)C[C@@H](C)O1	ZINC22_9502965,PC-id_41099159,CoCoCo_4164126	421.534	TVLXIYVBQZNBOD-CHWSQXEVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132918
CCOC(=O)c1c(sc2c1CCC2)NC(=O)CCCSc1nc(cc(=O)[nH]1)C	PC-id_136077350	421.534	BAVMGMNQDJGJEX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132919
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(C)Sc1nc(c(c(=O)[nH]1)C)C	PC-id_136630488	421.534	AJBMDMZXKQRNHY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132920
CCOC(=O)c1c(sc2c1CCC2)NC(=O)[C@@H](C)Sc1nc(c(c(=O)[nH]1)C)C	PC-id_135561822	421.534	AJBMDMZXKQRNHY-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-132921
CCOC(=O)c1c(sc2c1CCC2)NC(=O)[C@H](C)Sc1nc(c(c(=O)[nH]1)C)C	PC-id_135561823	421.534	AJBMDMZXKQRNHY-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-132922
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_323462224,MCULE-6726276107	421.534	XCCNVWHNCICMFF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132923
O=C(c1ccc(cc1)S(=O)(=O)N(C[C@@H]1CCCO1)C)Nc1sc2c(n1)CCC2	CoCoCo_5057586,PC-id_7189672	421.534	JDVPUQBOEMJSBR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132924
O=C(c1ccc(cc1)S(=O)(=O)N(C[C@H]1CCCO1)C)Nc1sc2c(n1)CCC2	CoCoCo_5057587,PC-id_7189674	421.534	JDVPUQBOEMJSBR-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132925
O=C(Nc1sc2c(n1)CCC2)CCCN(S(=O)(=O)c1ccc(cc1)C(=O)C)C	MCULE-7983505655,EMOLS-id_257856520	421.534	NJFSESKIYMVOOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132926
O=C(NNC(=O)c1sc2c(c1)CCC2)CCNS(=O)(=O)c1cc(C)ccc1C	PC-id_27684208,MCULE-3819963047,EMOLS-id_43876287	421.534	GCGSHYIGQZIYDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132927
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(CC)C)cc1	PC-id_46520173	421.534	DQNRMSVJWKGAQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132928
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c(c(c1)C)C	PC-id_27684594	421.534	JHNFYYNHAMNFIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132929
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)N	PC-id_44993087	421.534	KIQVBXREHCJAHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132930
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)NC1CC1)C(=O)OC	PC-id_51632802	421.534	NIRJZUNZTBJHBO-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-132931
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2CCCc2n1)c1ccc(OC)cc1	PC-id_16829176	421.534	IEGXIYLNTJHRTL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-132932
S(=O)(=O)(NC1CCCC1)c1cc(ccc1OC)C(=O)Nc1sc2CCCc2n1	PC-id_33039271	421.534	PHJMGZPNYQHYFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132933
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_18560867	421.534	JDVPUQBOEMJSBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132934
c1(NC(=S)NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_4104256,PC-id_4504467,MCULE-1115985597,ZINC22_10035159,SPECS-id_AM-879/J184199,CoCoCo_6275417,TIMTEC561026	421.535	XXRQEVPLEMFNOO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-132935
Cc1ccc(c2ccc(C(=O)NC(=S)Nc3sc4c(c3C#N)CCC4)o2)cc1C	PC-id_3988658,ZINC22_108052201	421.535	ZAPXGTOYOIANSX-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-132936
CC[C@H](C1CCCC=C1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	PC-id_71191758,SCHEMBL14522906	421.535	VJVZFFSOROFOOB-LRTDYKAYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-132937
C[C@@H](C(=O)/N=c
/[nH]c2c(s1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	GD-id_ZINC45254455	421.535	WUSWJSSGQFKUHE-WMLDXEAASA-O	00000010100000110001000010000000000000000000000000000000	25-01-132938
CCOC(=O)c1c(NC(=O)CSc2nnnn2C2CCCC2)sc2c1CCC2	ZINC22_12817904,MCULE-9233585658,CoCoCo_4238369,PC-id_24241030,EMOLS-id_17189604	421.537	IGIXHDVJLOAWLK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-132939
CN=C(NCc1nnc2n1CCC2)NCC1C(C)OC(N1C(=O)OC(C)(C)C)(C)C	PC-id_109811181	421.537	USVRFLDJGHGIEY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132940
Cc1nc2scc(C)n2c1/C=c/1sc2nc(CCc3ccc(C)cc3)nn2c1=O	EMOLS-id_324904462	421.538	LZKQKIOHWAMUFI-YVLHZVERSA-N	00000000100000110001000110000000000000000000000000000000	25-01-132941
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCc1ccc(cc1)C	MCULE-6914127324	421.538	LZKQKIOHWAMUFI-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-132942
CN=C(N(Cc1cc(n(c1C)c1ccc(cc1)OC)C)C)NCc1nnc2n1CCC2	PC-id_109391028	421.539	KUUHOTGOMZRXBO-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-132943
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C1CCC(CC1)CCCC)C(=O)OC	MCULE-4199093541,PC-id_19206938	421.55	UHQIWBCXPZMGDF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-132944
c1(NC(=O)C2CC(=O)N(C(C)(C)C)C2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1381585675,EMOLS-id_334385176	421.554	JXNXCTKCNUMGJN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132945
c1(c2CCCc2sc1NCc1ccc(cc1)N(C)C)C(=O)Nc1ccccc1OC	CoCoCo_306034,BAS-03715654,EMOLS-id_1439549,PC-id_3148509,MCULE-3983982429,ZINC22_5043972	421.555	PRHCGHXVFKDMKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132946
COc1ccc(cc1)NC(=O)c1c(NCc2ccc(cc2)N(C)C)sc2c1CCC2	CoCoCo_2720367,PC-id_5081874,CHEMBL1482164,SCHEMBL10076998	421.555	MEZVJFCMHRYIGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132947
N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2	CoCoCo_5174655,PC-id_16800094,MCULE-4026176649,EMOLS-id_5605465,ZINC22_10186804	421.557	QBDUZKBAUIJHLK-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-132948
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC(=O)NCc1sccc1)C(=O)N	PC-id_8906433	421.557	ZLINOWIRBVTFKO-UHFFFAOYSA-O	00000010100100000000000010000000000000000000000000000000	25-01-132949
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1sccc1	PC-id_16826352	421.557	LBRCWDSVOADRIF-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-132950
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1sccc1	PC-id_44027169	421.557	KZBUKNQNPTVKIY-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-132951
N#Cc1c(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)sc2c1CCC2	CoCoCo_4309291,PC-id_25730915,ZINC22_13163634	421.56	UFVGOGLKRKXDMD-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132952
n12nc(nc1sc(=Cc1ccccc1F)c2=O)COc1ccc(cc1Cl)Cl	MCULE-6554029044	422.26	GMLRKSRRYUCQMQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133031
N#Cc1c(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)sc2c1CCC2	PC-id_25730914,ZINC22_13163633,CoCoCo_4309292,GD-id_ZINC13163633	421.56	UFVGOGLKRKXDMD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-132953
N#Cc1c(NC(=O)CSc2nnc(s2)NCC2CCCO2)sc2c1CCC2	EMOLS-id_11740707,MCULE-5190579430,PC-id_16312468	421.56	UFVGOGLKRKXDMD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132954
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NCC	PC-id_78848195	421.577	MOJFVJFGNKSCJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132955
s1c2c(CCC2)cc1C(=O)N(CC(=O)N1CC[NH+](CC1)CC(=O)NC(C)(C)C)C	PC-id_9475249	421.577	OGVAHXUHSQDOGJ-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-132956
S(=O)(=O)(NCCC(=O)Nc1sc2CCCc2n1)c1c(c(c(c(c1C)C)C)C)C	PC-id_33040736	421.577	WZVSXSPEZNHDCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-132957
Brc1c(NC2CCc3sc(Cl)cc23)c(Br)cc(c1)C	PC-id_81252164	421.578	CNMXBJAKAWBAEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132958
c1(C(=O)N(Cc2cccnc2)CC2CCCN(C3CCCCC3)C2)c2CCCc2[nH]n1	PC-id_45195886,MCULE-6391392957,EMOLS-id_20510515	421.578	KZBOBIXDIQYDLH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-132959
c1(NC(=S)Nc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_2763666,ZINC22_4062406,MCULE-9228805155,PC-id_3262901,TIMTEC290695,CoCoCo_6712019	421.578	LNWUAKYRLYGROP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132960
CCc1ccc(cc1)C(c1cccs1)NCC(=O)Nc1sc2c(c1C#N)CCC2	EMOLS-id_11776429,MCULE-8917064310,PC-id_16336268	421.578	PQZKNXIRCQQJJN-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-132961
CCc1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1	PC-id_8769161,ZINC22_58176615,CoCoCo_4124821	421.578	PQZKNXIRCQQJJN-JOCHJYFZSA-N	00000010100100110000000010000000000000000000000000000000	25-01-132962
CCc1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1	ZINC22_58176614,PC-id_8769158,CoCoCo_4124822	421.578	PQZKNXIRCQQJJN-QFIPXVFZSA-N	00000010100100110000000010000000000000000000000000000000	25-01-132963
CCCCN(c1ccc(c(c1)C)/C=c
/c(C)nn2c1nnc2/C=C(OC)/C)CCCC	SCHEMBL12559742	421.578	ABOKJJLMUDKCPF-VRUOGPTQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132964
O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1	CoCoCo_1286344,CoCoCo_1286350,CoCoCo_1286348,CoCoCo_1286346,ZINC22_12433810,PC-id_42596792	421.578	KZBOBIXDIQYDLH-FQEVSTJZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-132965
O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1	PC-id_42596790,CoCoCo_1286345,CoCoCo_1286349,ZINC22_12433809,CoCoCo_1286351,CoCoCo_1286347	421.578	KZBOBIXDIQYDLH-HXUWFJFHSA-N	00000010100010101001100010000000000000000000000000000000	25-01-132966
O(C(=Cc1n2nc(/c(=C/c3c(cc(N(CCCC)CCCC)cc3)C)/c2nn1)C)C)C	PC-id_58321058	421.578	ABOKJJLMUDKCPF-ASTOHDGOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132967
O(C(=Cc1n2nc(c(=Cc3c(cc(N(CCCC)CCCC)cc3)C)c2nn1)C)C)C	PC-id_76759976	421.578	ABOKJJLMUDKCPF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132968
CCNC(=NCc1nnc2n1CCC2)N(CCC(C(C)C)NC(=O)OC(C)(C)C)C	PC-id_109412339	421.58	NJWMIOVOTZADDF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-132969
s1c2c(CCC2)c(c1NC(=O)CCCCCCCCCCCCC)C(=O)OCC	PC-id_54789567	421.636	IZAKGDRSXHWLAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-132970
CSCCNc1cc(SC2CCNCC2)cc(n1)Nc1sc2c(n1)CCC2	PC-id_144988078	421.646	BPTVQUKPUNQNPK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-132971
Clc1c(C[NH+]2C(CC(=O)NCc3n4CCCc4nn3)C(=O)NCC2)ccc(F)c1	PC-id_74457362	421.876	YHUACMWPQSXCBL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-132973
Clc1c(C[NH+]2[C@@H](CC(=O)NCc3n4CCCc4nn3)C(=O)NCC2)ccc(F)c1	PC-id_25449752	421.876	YHUACMWPQSXCBL-HNNXBMFYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-132974
Clc1c(C[NH+]2[C@H](CC(=O)NCc3n4CCCc4nn3)C(=O)NCC2)ccc(F)c1	PC-id_25449757	421.876	YHUACMWPQSXCBL-OAHLLOKOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-132975
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(cc1)Cl)C(=O)OC	MCULE-5194753666,PC-id_19220880	421.894	KUZITKWGCZFYHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132976
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1cccc(Cl)c1)C(=O)OC	PC-id_19237286,MCULE-4530319641	421.894	UZJTZBDFOHEVQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132977
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1C(=O)NC	PC-id_52704966	421.898	HLENJXRRFLNCPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132978
C=CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_45964823,ZINC22_16735195	421.899	CYSDCMUJFQAPQU-FRWQMALMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132979
Clc1ccc(/C=C/c2nc3s/c(=C/c4ccccc4OCC=C)/c(=O)n3n2)cc1	EMOLS-id_27022639	421.899	CYSDCMUJFQAPQU-GKZQGBICSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132980
COc1ccccc1/C=C/C=c/1sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	ZINC22_16735201,EMOLS-id_26555484	421.899	HRVCNOBDTMFPMK-IDAPHMENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132981
n12nc(nc1sc(=Cc1ccccc1OCC=C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-3614095734	421.899	CYSDCMUJFQAPQU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132982
n12nc(nc1sc(=Cc1ccc(cc1)OCC=C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-7782916884	421.899	JJZVVZBKUHZMKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132983
n12nc(nc1sc(=CC=Cc1ccccc1OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4262696325	421.899	HRVCNOBDTMFPMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-132984
COCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1nn2CCOc2c1Cl	PC-id_91960017	421.9	OBMOXGDPYXOGCU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-132985
c1(NC(=O)CS(=O)CC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-2796023281,EMOLS-id_320639482	421.921	RWYLIWXEJFHQJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132986
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)Nc1ccccc1Cl	MCULE-7688743118,EMOLS-id_186569436	421.921	ZPVATAOJFKJBFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132987
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)Nc1ccc(Cl)cc1	MCULE-6502225030,EMOLS-id_186571578	421.921	PQYIETMOLJTWAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132988
Clc1ccc(NC(=O)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_9167370	421.921	YDJFFYICKAGSJP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132989
Clc1c(NC(=O)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_9038003	421.921	PKMHVLRLFNWGPG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-132990
Clc1cn(nc1)Cc1cc(sc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19494452	421.921	WZTMOEZIPOSGTK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-132991
c1(NC(=O)CCCOc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-3847806513,PC-id_19191253	421.938	KBVWAXCXGYGCQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132992
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_19191117,MCULE-1764327605	421.938	MHNOKKLTWKGCDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132993
c1(NC(=O)C(C)Oc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_4072066,MCULE-9106679166	421.938	DGPCSXHBLWQYTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132994
Clc1cc(c(OCCCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1)C	PC-id_4445377	421.938	CKFKDCWEFUMVJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132995
c1(c2CCCc2sc1NC(=O)CNCCC)C(=O)Nc1c(OC)ccc(Cl)c1	MCULE-8316680111,PC-id_3446410,EMOLS-id_2785176,ZINC22_4554282,TIMTEC335390,CoCoCo_6723789	421.941	NLTUVPXIQUBZAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132996
Clc1ccc(OCCN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_24506845	421.941	LTRRVIWJANBGKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132997
Clc1ccc(OCCN([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_40759946	421.941	LTRRVIWJANBGKP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132998
Clc1ccc(OCCN([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_40759948	421.941	LTRRVIWJANBGKP-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-132999
Clc1c(OCCN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1	PC-id_24507756	421.941	DHZSVAOZYJWVLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133000
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2405792592	421.942	BXOWXPNIOKBJRL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133001
CN(C)C(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(Cl)cc1	EMOLS-id_328218224,MCULE-5339934167	421.962	FVZHOMJDQABUCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133002
Clc1sc(CN2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_30614339	421.987	JSVKCUZTJAWNLC-UHFFFAOYSA-O	00000010100110000001000010000000000000000000000000000000	25-01-133003
Brc1sc(Br)c2c1C(NC(=O)C(F)(F)F)CC2=NO	PC-id_378808	422.016	BBWWRPCRJYGQGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133004
Brc1sc(Br)c2c1C(NC(=O)C(F)(F)F)C/C/2=N/O	PC-id_5880315	422.016	BBWWRPCRJYGQGF-XFQLMFQHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133005
O/N=C
/C[C@H](c2c1c(Br)sc2Br)NC(=O)C(F)(F)F	CoCoCo_5726751,NSC662126	422.016	BBWWRPCRJYGQGF-XDLQSCHVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133006
O/N=C
/C[C@@H](c2c1c(Br)sc2Br)NC(=O)C(F)(F)F	CoCoCo_5726752	422.016	BBWWRPCRJYGQGF-LGNHKMNWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133007
O/N=C/1C[C@@H](c2c1c(Br)sc2Br)NC(=O)C(F)(F)F	CoCoCo_5726753	422.016	BBWWRPCRJYGQGF-YRUWKQDVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133008
O/N=C/1C[C@H](c2c1c(Br)sc2Br)NC(=O)C(F)(F)F	CoCoCo_5726754	422.016	BBWWRPCRJYGQGF-FSVCQUARSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133009
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=NC=NN4	PC-id_164872154	422.056	SULWKEJMKDZNHA-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133010
CC(C)(C)OC(=O)N(C)CCN(C)CC1=NN2CC(CC2=C1Br)(F)F	PC-id_149526085	422.113	ZLRVJLBHOHZGOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133011
C1CC=NC(=C1)C(CO)C(=O)N2CC3=CN(N=C3C2)SC4=CN(N=C4)CC(F)F	PC-id_164872059	422.134	RTRFQVGUDXSLLH-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-133012
CCOC(=O)COC1=CC(=C(C=C1NC(=O)C)N=C2N3CC(CC3=NS2)(C)C)F	PC-id_153718401	422.142	OAEVUYAHUJWFTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133013
C1CC2=C(C1)NN=C2CNC(=O)C3CC(=O)N(C3)C4=NN=C(S4)CC5=CC=CC=C5	EMOLS-id_324186134,MCULE-3356242544,PC-id_154567212	422.152	KOTOMXFXQQUCBP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133014
Brc1sc(Br)c2C(=O)C(CC(CCCC)CC)C(=O)c12	SCHEMBL14716674,PC-id_71268824	422.175	PGJIPRTUUSAQAS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133015
COc1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc(Br)c1O	EMOLS-id_324910600	422.177	WBIXHLMFBBDMKY-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133016
n12c(=O)c(=Cc3cc(c(O)c(Br)c3)OC)sc1nc(C(F)(F)F)n2	MCULE-3585755225	422.177	WBIXHLMFBBDMKY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133017
CCC1=CC(=C(C=C1C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=O)NC)N)F)O	PC-id_154689193	422.187	ZGQHYORBTDLJKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133018
Brc1ccc(c2oc(=O)n(n2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL5541208,PC-id_23081404	422.19	QESYSBCRHOUFAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133019
CCNC(c1sc(c(c1)Br)Br)c1sc2c(n1)CCC2	PC-id_102842934	422.202	KHFLETSEKPQHQX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-133020
C1CCC(CC1)CN2C(=CC=N2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	CHEMBL4437287,PC-id_155268804	422.207	LHRUZNBVDNSBPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133021
CN1C(=CC(=N1)C2CCCCC2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	PC-id_155268688,CHEMBL4514002	422.207	YLAOUBJPYKUSBB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133022
O=C(N=c1cc2n([nH]1)CCC2)c1cnn(c2ccc(Br)cc2)c1C(F)F	EMOLS-id_324072525,ZINC22_1857530863,MCULE-5978987948,PC-id_146100564	422.227	BPFDWYRRRMKNLF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133023
Fc1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324847859	422.26	GMLRKSRRYUCQMQ-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133024
Fc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324846835	422.26	SOWGBIFFGSEGNT-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133025
Fc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324847861	422.26	AAOIWPBDQUSDEV-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133026
Fc1cccc(Cl)c1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324886022	422.26	DGLFVDPGUFSIPG-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133027
Fc1cccc(Cl)c1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324844283	422.26	BFCPQHHEXNPORZ-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133028
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1ccccc1Cl	MCULE-7214143793	422.26	DGLFVDPGUFSIPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133029
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1ccc(Cl)cc1	MCULE-7037771205	422.26	BFCPQHHEXNPORZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133030
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8161525132	422.26	SOWGBIFFGSEGNT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133032
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-2868870071	422.26	AAOIWPBDQUSDEV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133033
CC(C)(C)OC(=O)N(CC1(CC1)CN2CC3=C(C2)N(N=C3)C)C4CC4C5=CC=CC=C5	PC-id_155266193	422.268	CEVUBKGQBOIZIJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-133034
CC(C)(C)OC(=O)N(CC1(CC1)CN2CC3=CN(N=C3C2)C)C4C[C@@H]4C5=CC=CC=C5	PC-id_155265821	422.268	MGYCOSPHTYAAEJ-PSDZMVHGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-133035
Fc1cc(Br)ccc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324834035	422.295	YMDRWBGNSQUYOY-MLPAPPSSSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133036
Fc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1Br	EMOLS-id_324833022	422.295	VAVNFPLMQOXXRN-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133037
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)Cc1cccs1	MCULE-9765621138	422.295	YMDRWBGNSQUYOY-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133038
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)Cc1cccs1	MCULE-2949064600	422.295	VAVNFPLMQOXXRN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133039
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)C)Cl)Cl	SCHEMBL20252866,PC-id_134598966	422.305	GXBGCXZMERDRCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133040
O=C(C1CCCN1C(=O)c1cc(Cl)cc(c1)Cl)NCCc1nnc2n1CCC2	PC-id_102555287,EMOLS-id_50559416,MCULE-4240723438	422.308	RSRUFAAWZQYIGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133041
O=C(NCCc1nnc2n1CCC2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	PC-id_99813664,ZINC22_170651334	422.308	RSRUFAAWZQYIGZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133042
O=C(NCCc1nnc2n1CCC2)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	ZINC22_65010580,PC-id_95084827	422.308	RSRUFAAWZQYIGZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133043
c1cc(c(cc1O)O)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O	PC-id_135418815	422.315	UMEOGKYPAVOGCM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-133044
C1(=Nc2n(C1=O)c(N)nn2)C(C(=O)c1c(O)cc(O)cc1)C1=Nc2n(C1=O)c(N)nn2	SPECS-id_AT-225/NB57081,NSC614439,MCULE-3766290386,LI_81259,CoCoCo_5669589,PC-id_356888,ZINC22_8655119	422.315	FUAFCIWCEPXVBL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-133045
FC(F)(F)Oc1ccc(c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])nc2)cc1	SCHEMBL1227785,PC-id_50913190	422.315	AMDZXSOAYLNZSB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-133046
Brc1ccc(cc1)S(=O)(=O)C#CC1(C)C=c2c(=C1)cc(s2)C(=O)N	SCHEMBL15698908,PC-id_90142353	422.316	PAHIOOOYZBKVNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133047
CC(C)(C)OC(=O)Nc1sc2CCCc2c1C(=O)c1ccc(Br)cc1	EMOLS-id_331279468	422.336	RHGNMYPUSIVVQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133048
CCOC(=O)c1c(NC(=O)c2ccc(cc2)Br)sc2c1C(C)(C)CC2	SCHEMBL21247278,PC-id_139391463	422.336	MZRDGXSXQUZOLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133049
CCOC(=O)c1c(NC(=O)CCc2ccc(Br)cc2)sc2CCCc12	EMOLS-id_328030880,MCULE-6818717402	422.336	UONQXROHEREMFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133050
CCOC(=O)c1c(NC(=O)CCc2cccc(Br)c2)sc2CCCc12	MCULE-4490855114,EMOLS-id_328087626	422.336	REYDYRHYKHYYTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133051
COC(=O)c1c(NS(=O)(=O)c2ccc(Br)s2)sc2c1CCC2	ZINC22_314694340	422.338	UCDJIBMTRCYWJK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-133052
Brc1ccc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_29872569	422.339	HVZOASHUJBKXAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133053
Brc1c(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_55354652	422.339	AKAZVWLMNPTUHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133054
Brc1c(C(=O)NC(C(C)C)C(=O)Nc2sc3CCCc3n2)cccc1	EMOLS-id_24485669,MCULE-8644537255,PC-id_45351410	422.339	DPOLJCLYUBNZLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133055
CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1nc2c(s1)CCC2	CoCoCo_4109958,ZINC22_32753188,PC-id_39975305	422.339	DPOLJCLYUBNZLC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133056
CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1nc2c(s1)CCC2	PC-id_39975304,ZINC22_32753187,CoCoCo_4109959	422.339	DPOLJCLYUBNZLC-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133057
Cc1nn2C(=O)C(Sc2n1)[C@@H](c1cc(ccc1)Br)N1CCN(CC1)C	PC-id_134715971	422.343	UTQIRAAJHGKYTR-GICMACPYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133058
c1(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C(=O)N	MCULE-1019790420,PC-id_84417081,EMOLS-id_181348351	422.345	WHPLMLQAKFRKRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133059
c1(CN(C2CCCC2)C(=O)COc2ccc(Cl)cc2Cl)c2CCCc2n(C)n1	EMOLS-id_50145314,PC-id_86266573,MCULE-1839571034	422.348	VDSISMZOJDTPHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133060
C1(C)(C(=O)NNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)CC1(Cl)Cl	TIMTEC59661,PC-id_4508768,MCULE-1730521297,EMOLS-id_4104835	422.35	AQYLVRIMXMDFAB-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-133061
ClC1(Cl)[C@](C1)(C)C(=O)NNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	CoCoCo_6797583,PC-id_27525766	422.35	AQYLVRIMXMDFAB-AWEZNQCLSA-N	00100010100000000000000010000000000000000000000000000000	25-01-133062
ClC1(Cl)[C@@](C1)(C)C(=O)NNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_27525765,CoCoCo_6797584	422.35	AQYLVRIMXMDFAB-CQSZACIVSA-N	00100010100000000000000010000000000000000000000000000000	25-01-133063
C1C(Nc2nsc(=Nc3ccc(cc3)Cl)n12)C(=S)Nc1ccc(cc1)Cl	PC-id_136750343	422.355	XHIISNZOKYPKHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133064
Clc1ccc(cc1)NC(=S)N1CCn2c1ns/c/2=Nc1ccc(cc1)Cl	NSC734073	422.355	JTXOEULJIWGCKI-FXBPSFAMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133065
Clc1ccc(NC(=S)N2CCn3c2nsc3=Nc2ccc(Cl)cc2)cc1	PC-id_24205042	422.355	JTXOEULJIWGCKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133066
[se]1c2C([Si](C3C(=Cc4c3[se]cc4)C)(C)C)C(=Cc2cc1)C	PC-id_85787534	422.357	VQCARNQGMICSBC-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-133067
Ic1scc2CC(Cc12)(COCCCC)COCCCC	PC-id_86076894	422.365	DNDDFMJBVXFCGH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133068
s1nc(nc1N/N=C/1c2n(N=C1OCC)nc(n2)C)c1ccc(cc1)C(F)(F)F	PC-id_23386364	422.388	FEPCEBYYYLEBBY-SSDVNMTOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-133069
s1nc(nc1NN=C1c2n(N=C1OCC)nc(n2)C)c1ccc(cc1)C(F)(F)F	PC-id_74046500	422.388	FEPCEBYYYLEBBY-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-133070
s1c2c(CCC2)c(c1NC(=S)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)OC	PC-id_20413254	422.393	OFGRVYGQQXEDGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133071
c12NC(=O)C(CC(=O)Nc3ccc(cc3OC)N(=O)=O)n1nc(Cc1ccccc1)n2	PC-id_135994079,MCULE-6312258065	422.394	XRVXHSGFDSPOBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133072
COCCCn1nc2c(c1)CN(C2)C(=O)c1cc(C#N)ccc1O[C@H](C(F)(F)F)C	PC-id_118479435,SCHEMBL17214283	422.401	ZDYPLEQUGGMOEK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133073
COCCCn1ncc2c1CN(C2)C(=O)c1cc(C#N)ccc1O[C@H](C(F)(F)F)C	PC-id_118479335,SCHEMBL17214183	422.401	ITTJLGAIAXBGDP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133074
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OC(F)F)cc1)C#N	PC-id_16503510	422.403	USSJRAOOASVYMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133075
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(nnc2C(F)(F)F)C1)C(=O)O	PC-id_14124342	422.403	TUFCLAIGWJGZEO-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-133076
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1Cn2c(nnc2C(F)(F)F)C1)C(=O)O	PC-id_57296615	422.403	TUFCLAIGWJGZEO-VAKCTQPXSA-N	00001011100000000001001010000000000000000000000000000000	25-01-133077
O=c1[nH]c(n2nc(c([N+]#[C-])c2N/N=C/C(=Nn3c2nnc3C)C(C)(C)C)C)nc(=O)[nH]1	PC-id_58090610	422.404	RDPJQQYRFKEPHT-RMORIDSASA-N	00000011100000100001100010000000000000000000000000000000	25-01-133078
O=c1[nH]c(n2nc(c([N+]#[C-])c2N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)C)nc(=O)[nH]1	PC-id_58113669	422.404	SXXBAFDJNJWCRS-RMORIDSASA-N	00000011100000100001100010000000000000000000000000000000	25-01-133079
Fc1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)c2ccccc2)C(=O)OCC)cc1	PC-id_71477562	422.409	CWUIRZUQOMYPEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133080
COc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324915211	422.414	ZHTYUDFYPIOLQC-UQQCGOLSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133081
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)C=Cc1ccccc1	MCULE-9586865139	422.414	ZHTYUDFYPIOLQC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133082
[nH]1nc(c2c1CN(C2)C(=O)[C@@H](O)c1ccccc1)NC(=O)c1cc(cc(c1)OC)OC	CHEMBL1172358,PC-id_49798185	422.434	DHOLUFSGAYXBKE-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-133083
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)c1ccc(nc1OC)OC	MCULE-1194600343,EMOLS-id_207863267	422.437	AKYCEJGROPCPQE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-133084
CCC(N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F)O	PC-id_138592661,SCHEMBL20952918	422.444	RBNOIGFNUNWNTQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133085
COCCN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695086,PC-id_137455814	422.444	JTCMZHMXEIRTEE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133086
c1(NC(=O)CSc2nc(cc(C)c2C#N)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_3750040,ZINC22_663324,SPECS-id_AM-807/14147297,CoCoCo_6930086,PC-id_1005158,STOCK3S-07934,MCULE-1331352321	422.447	DQDSHEADZZZYOF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-133087
c1(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C#N	MCULE-3145309772,ZINC22_12953916,EMOLS-id_27511204,PC-id_5209208	422.447	WKNIBOVGPIQJCU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-133088
CCNC(=NCc1nnc2n1CCC2)N1CCOC(C1)c1cccc(c1)C(F)(F)F	PC-id_109556480	422.447	IJKVJDPGTZPBMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133089
c1(NC(=O)c2ccc(c(F)c2)F)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913341,MCULE-8525177432,PC-id_44053066	422.449	ZJXHGKJQWQJJAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133090
O=C(Cn1nc2c(c1NC(=O)c1ccc(F)c(F)c1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277615,PC-id_30862388,ZINC22_23139082	422.449	ZJXHGKJQWQJJAI-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133091
O=C(Cn1nc2c(c1NC(=O)c1ccc(F)c(F)c1)CSC2)NC[C@@H]1CCCO1	ZINC22_23139079,CoCoCo_5277614,PC-id_30862386	422.449	ZJXHGKJQWQJJAI-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133092
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2F)CC(=O)NCC2OCCC2)C1	PC-id_44053152	422.449	CKMQEDBPGXGCEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133093
S1Cc2c(nn(c2NC(=O)c2c(F)cc(F)cc2)CC(=O)NCC2OCCC2)C1	PC-id_44053099	422.449	FQZCEFBTEDJAMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133094
O=C(c1c(C)nn2c1N(CC2)Cc1ccccc1F)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18758698	422.452	GOKSFZJDABOJAP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133095
s1c2CCCc2c(c1NC(=O)COC(=O)c1oc(COc2ccccc2)cc1)C#N	PC-id_16518992	422.454	ADBZPUDNBRNBPB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133096
C[C@@]1(COc2ccc(cc2)S(=O)(=O)N2CCCCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16618227,PC-id_117993857	422.455	LAARRQVGZGQFNH-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133097
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N(C)Cc2nnc3n2CCC3)c1OC	ZINC22_14199045,PC-id_17568471,CoCoCo_4491295,MCULE-9740685494	422.455	XCUPISIGLKBWKL-VOTSOKGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133098
COc1c(OC)cc(cc1S(=O)(=O)N(Cc1nnc2n1CCC2)C)/C=CC(=O)O	CoCoCo_4491296	422.455	XCUPISIGLKBWKL-SREVYHEPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133099
COc1c(OC)cc(cc1S(=O)(=O)N(Cc1nnc2n1CCC2)C)C=CC(=O)O	EMOLS-id_26227741,MCULE-9794148866,PC-id_72059524	422.455	XCUPISIGLKBWKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133100
O=C(NS(=O)(=O)n1nc2c(c1)CN(C2)C(=O)OC(C)(C)C)OCc1ccccc1	SCHEMBL16841678,PC-id_118178940	422.455	MLBXSCFVOBZAAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133101
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCN1C(=O)C(NC1=O)(C)C)C(=O)N	PC-id_30066299	422.455	UHDAPBYNBLKPKK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133102
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-5452656972,PC-id_18883984	422.457	KFINWTPQGHXAFR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-133103
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883977,MCULE-4059861058	422.457	FSQKLAGYAUCRRK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-133104
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(cc3)OCC)n2)sc2c(CCC2)c1C#N	MCULE-7955605302,EMOLS-id_322820651	422.457	VPJCVAXSEKCGRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133105
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1	PC-id_117588464,ZINC22_256055765	422.457	SHTQGGGPICVASX-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133106
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1C	PC-id_117588475,ZINC22_256055500	422.457	JCNKINKWCXWYPB-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133107
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(C)cc1	PC-id_117588487,ZINC22_256055914	422.457	YZQNJZIOZUODKF-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133108
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(C)c1	ZINC22_256055280,PC-id_117588481	422.457	AQQGAIRDWUMCCK-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133109
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccc(cc1)C)c2=O	MCULE-4078382589	422.457	YZQNJZIOZUODKF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133110
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccccc1C)c2=O	MCULE-7450584460	422.457	JCNKINKWCXWYPB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133111
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1cccc(C)c1)c2=O	MCULE-1605509774	422.457	AQQGAIRDWUMCCK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133112
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccccc1)c2=O	MCULE-7940620857	422.457	SHTQGGGPICVASX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133113
CC(c1nnc2n1CCC2)Nc1ccc(cc1S(=O)(=O)N1CCOCC1)[N+](=O)[O-]	EMOLS-id_48210539,PC-id_75413859,MCULE-6215950667	422.459	UQBJMYKPANSOHU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133114
C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnc2n1CCC2	ZINC22_95348784,PC-id_97184909	422.459	UQBJMYKPANSOHU-LBPRGKRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133115
C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnc2n1CCC2	ZINC22_95348785,PC-id_97184910	422.459	UQBJMYKPANSOHU-GFCCVEGCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133116
s1c2c(CCC2)c(c1Nc1nc(NCCNCCO)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127524	422.462	BBJZOFOVLKQQPI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-133117
O=C(NCC(F)(F)F)c1ccc(CN(C(=O)c2cc3c(s2)CCC3)C2CC2)cc1	CoCoCo_4733514,MCULE-1169639389,ZINC22_30251580,EMOLS-id_44075820,PC-id_37439116	422.464	XVGUGCXKIKERLZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-133118
CC1CCCCN1S(=O)(=O)CCNC(=O)Cn1nc(c2CCCc12)C(F)(F)F	PC-id_46969801,EMOLS-id_43237687,SYN-20012817,MCULE-1025753092	422.466	MLZRHPLCOGQCOQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133119
C[C@@H]1CCCCN1S(=O)(=O)CCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_51593015,CoCoCo_493844,ZINC22_19496393	422.466	MLZRHPLCOGQCOQ-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133120
C[C@H]1CCCCN1S(=O)(=O)CCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_19496394,CoCoCo_493845,PC-id_51593016	422.466	MLZRHPLCOGQCOQ-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133121
COc1cc(ccc1OC(F)F)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)C	PC-id_2112948,GD-id_ZINC02649798	422.469	LFBIPTOKQJJTQW-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-133122
c1(C(=O)N2CCN(CC2)C(c2ccc(cc2)F)c2ccc(cc2)F)c2CCCc2[nH]n1	EMOLS-id_323254974,MCULE-3456919278	422.47	AEWOPGXLDIVCNA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133123
s1c2c(CCC2)c(c1NC(=O)CNc1c(OCCO)cc(F)cc1)C(=O)OCC	PC-id_56286422	422.47	YNOMHKIUECYLEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133124
CCOC(=O)n1nc2c(c1NC(=O)C1CCCO1)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1205639,PC-id_58015622	422.475	JJWLSTAYPOVNQQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133125
CCOC(=O)n1nc2c(c1NC(=O)[C@H]1CCCO1)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015600,SCHEMBL1205949	422.475	JJWLSTAYPOVNQQ-CYBMUJFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133126
n12CCC(C(=O)Nc3ccc(cc3)Oc3ccccc3)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548266,PC-id_46861284,MCULE-7717527484	422.475	BHHTVFWMPPFECG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133127
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_52340418,ZINC22_51364467	422.475	BHHTVFWMPPFECG-QHCPKHFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133128
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC22_51364468,PC-id_52340419	422.475	BHHTVFWMPPFECG-HSZRJFAPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133129
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)C)cc1)C(=O)N	PC-id_18081030	422.475	QDLNPAMOMINZEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133130
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)C)ccc1)C(=O)N	PC-id_2528441	422.475	COYRIKIROUUFPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133131
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(S(=O)(=O)C)cccc1)C(=O)N	PC-id_30694265	422.475	HAHVCXLVCAUDPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133132
O=C(NCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)OCc1ccccc1	PC-id_92109496	422.477	SECOHPCFVWIBBQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133133
C1c2c(CN1C(=O)Cc1ccccc1)n(nc2)NC(=O)c1ccc(cc1)c1ccccc1	PC-id_90945862	422.478	JFAVEFBUVUVQOF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133134
O=C(c1ccc(cc1)c1ccccc1)Nc1n[nH]c2c1CN(C2)C(=O)Cc1ccccc1	PC-id_68439776,SCHEMBL2915930	422.478	IQZBMBQERUTLQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133135
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NCc4ccccc4)c3)C2)noc(C)c1CN(C)C	MCULE-6706492805,EMOLS-id_316330803	422.48	QRSFIEWVSBWUSQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133136
CN(Cc1c(C)onc1C(=O)NC1Cn2c(C1)cc(n2)C(=O)NCc1ccccc1)C	MCULE-3230070608	422.48	QRSFIEWVSBWUSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133137
N=COCC(=O)c1c(C)nn2c1N=C(C2=Nc1ccc(cc1C)N(CC)CC)C(=O)C	PC-id_117891912	422.48	AHYODFXTHLXPAQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-133138
N=COCC(=O)c1c(C)nn2c1N=C(/C/2=N/c1ccc(cc1C)N(CC)CC)C(=O)C	SCHEMBL16489417	422.48	AHYODFXTHLXPAQ-OMNREKDYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-133139
CC(C)CN1Cc2c(C1)[nH]nc2C(N1CCC(CC1)c1ccccc1C(F)(F)F)O	SCHEMBL20696184,PC-id_137456731	422.487	FGPVHYGBQSQVFV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133140
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)NC1CCS(=O)(=O)C1	TIMTEC602008,PC-id_17012673,EMOLS-id_10105438,MCULE-1537355478	422.494	ZRJOVKHKVNNGET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133141
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1F	CoCoCo_6329937,PC-id_35042657,GD-id_ZINC27663062,ZINC22_27663062	422.494	ZRJOVKHKVNNGET-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133142
O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1F	CoCoCo_6329938,ZINC22_27663064,PC-id_35042659	422.494	ZRJOVKHKVNNGET-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-133143
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCSc1ccc(F)cc1)C(=O)N	PC-id_24347462	422.494	CKNRUKQJVVEDME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133144
CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=Cc1cc(OC)c(OC)c(OC)c1)/S2	CoCoCo_5724461,ZINC22_1637123	422.495	BKHLDPKDAKEKGX-NTEUORMPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133145
CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)/S2	ZINC22_5854794,CoCoCo_5724460,PC-id_5467820	422.495	BKHLDPKDAKEKGX-ZROIWOOFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133146
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)OCC	PC-id_41733043	422.495	PXMGUOHWNFFVHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133147
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CN(C(C)C)C(=O)C1)C(=O)OCC	PC-id_55640733	422.495	ZKCWWTPXTSPQGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133148
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN1CCCCCC1=O)C(=O)OCC	PC-id_7727293	422.495	OXHLDGCLTZRSDG-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-133149
S1c2sc(c([n+]2C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1)C)C(=O)OCC	PC-id_377811	422.495	BKHLDPKDAKEKGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133150
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)OC)C(=O)Nc1cccc(OC)c1	MCULE-2340112909,ChEMBL-DNDi_CHEMBL7646171,ZINC22_1110909,EMOLS-id_2000077,CoCoCo_954756,PC-id_1289386	422.497	JZEFSGUVFMMAHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133151
c1(cccnc1c1ccc(cc1)OC)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328191251,MCULE-7529000600	422.497	SSDACSATSKFIQO-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-133152
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4918798197	422.497	LJUJZLUWTYARGL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133153
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334338215	422.497	LJUJZLUWTYARGL-FMIVXFBMSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133154
COc1cc(NC(=O)c2cc3c(s2)CCC3)c(OC)cc1NC(=O)c1ccccc1	MCULE-6515382081,PC-id_16310838,CoCoCo_3316595,ZINC22_9412796,EMOLS-id_11738248	422.497	RCWJABCZELZFBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133155
O=C(NNC(=O)c1sc2c(c1)CCC2)COc1ccc(cc1)OCc1ccccc1	CoCoCo_3220774,EMOLS-id_11898604,MCULE-3093691042,PC-id_17547797	422.497	SEZXAUZTAGLFPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133156
s1c2CCCc2cc1C(=O)NNC(=O)c1c(OCCOc2ccccc2)cccc1	PC-id_24540833	422.497	LVKOBYFDMIUSMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133157
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(NC(=O)c2ccccc2)c(c1)C)C	PC-id_45637917	422.497	VOONFPORGAFRPP-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-133158
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1cccs1)C(=O)O	PC-id_91801914	422.498	RXPXQFSYKXCACR-UHFFFAOYSA-O	00000011100100000001000010000000000000000000000000000000	25-01-133159
S1C2N(C(=O)C2C(O)C)C(=C1SC1c2n(CC1)c[n+](C(=O)C1CC1)c2)C(=O)O	PC-id_76633241	422.498	ZYLQKSXESNATHN-UHFFFAOYSA-O	00101011100000000001001010000000000000000000000000000000	25-01-133160
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1c2n(CC1)c[n+](C(=O)C1CC1)c2)C(=O)O	PC-id_57132159	422.498	ZYLQKSXESNATHN-LYGDPDIMSA-O	00101011100000000001001010000000000000000000000000000000	25-01-133161
CCCCCCCCC1CN(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_89437149,SCHEMBL14774875	422.499	UUMAHFJBWBHEFH-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-133162
c12C(=O)N(Cc1sc(N(C)C(=O)Nc1cc(C)ccc1OC)n2)Cc1ccccc1	PC-id_53188460,MCULE-1311922034,EMOLS-id_33030384	422.5	QQVNOLUWVJXUHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133163
c12C(=O)N(Cc1sc(N(C)C(=O)NCc1cccc(OC)c1)n2)Cc1ccccc1	MCULE-5919290637,EMOLS-id_33030366,PC-id_53188451	422.5	GFUYSELUJIDCHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133164
c1(NC(=O)c2ccccc2OC)c2CSCc2nn1CC(=O)NCc1ccccc1	ZINC22_23139485,CoCoCo_5277757,PC-id_30862724,EMOLS-id_24913527,MCULE-5925802953	422.5	DRAVPUWJFQDMBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133165
c1(NC(=O)c2cccc(OC)c2)c2CSCc2nn1CC(=O)NCc1ccccc1	PC-id_30862726,CoCoCo_5277758,MCULE-1507572992,EMOLS-id_24913529,ZINC22_23139488	422.5	TWDQJQDOOCFTDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133166
c1(NC(=O)COc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_24913499,PC-id_30862686,ZINC22_23139439,MCULE-7233670950,CoCoCo_5277742	422.5	ONLKGLPFCBJJHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133167
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)N(C)C)/c(=O)n3n2)cc1	EMOLS-id_324880897	422.5	SZNYNHJADPDEQQ-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133168
COc1ccc(Cc2nc3s/c(=Cc4ccc(cc4)N(C)C)/c(=O)n3n2)cc1OC	EMOLS-id_324923911	422.5	LCJXLZCTTZMMIG-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133169
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-6453552664	422.5	LCJXLZCTTZMMIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133170
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)COc1ccc(cc1)OCC	MCULE-8745235278	422.5	SZNYNHJADPDEQQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133171
S1Cc2c(nn(c2NC(=O)c2ccccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053523	422.5	IFKNGQCENYMXSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133172
S1Cc2c(nn(c2NC(=O)c2ccc(OC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053396	422.5	RMBRNMDMOBRXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133173
O=C(NCc1n[nH]c2c1CCC2)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1	ZINC22_1857697212	422.503	KOTOMXFXQQUCBP-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133174
O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1	ZINC22_1857697213	422.503	KOTOMXFXQQUCBP-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133175
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328995,MCULE-4429176465	422.515	NWUNRCLEPKFVBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133176
c1(NC(=O)Cc2ccccc2F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3994855013,EMOLS-id_334331053	422.515	DLCVLTINJSQTNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133177
c1(NC(=O)c2ccc(cc2)N(C)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	ASN-12669133,PC-id_6492768,MCULE-8859815032,ZINC22_13566582,EMOLS-id_11005389	422.518	JWMHQIOVKZUEJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133178
c1(NC(=O)c2ccccc2N(C)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_13566689,EMOLS-id_11005817,ASN-12756061,MCULE-1938313804,PC-id_6493128	422.518	IQRKOOIWKDKLFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133179
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_4966748,PC-id_3959157,MCULE-6674341137,EMOLS-id_5419256,ZINC22_1514841	422.518	ZEAAAJIJMJMOCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133180
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	CoCoCo_2590328,MCULE-3289285356,ChEMBL-DNDi_CHEMBLF2814-1531,ZINC22_15822900,PC-id_22582910,EMOLS-id_16349227	422.518	LAABEZYYYKMKTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133181
CCOC(=O)c1c(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)sc2CCCc12	MCULE-3664454331,EMOLS-id_328112406	422.518	WUMIHEMHKICPLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133182
COc1ccccc1c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5704260140,EMOLS-id_328221553	422.518	RJOFZYAZSYSWCK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-133183
COc1cc(ccc1NC(=O)c1cc2CCCc2s1)S(=O)(=O)N1CCOCC1	MCULE-8150298718,CHEMBL1566752,BindingDB-id_114090,BindingDB_PC-id_2348570,ZINC22_3230502,EMOLS-id_2984538,PC-id_2348570,CoCoCo_3758295,ChEMBL-DNDi_CHEMBL1566752	422.518	IVPMWMDKYBJEME-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133184
COc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N1CCOCC1	CHEMBL1432535,PC-id_3708012,ZINC22_8829697,EMOLS-id_3244942,ChEMBL-DNDi_CHEMBL1432535,CoCoCo_3280019,MCULE-6375568383	422.518	OHOCORNTSSVWOX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133185
COC(=O)c1c(NC(=O)[C@@H](C)N(c2ccccc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408601544	422.518	AKESWXWFFDTUMM-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133186
COC(=O)c1c(NC(=O)[C@H](C)N(c2ccccc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408601550	422.518	AKESWXWFFDTUMM-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133187
COC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_58997069	422.518	VNTSCZXIUZFFHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133188
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408629742	422.518	HEGBUTKNOZYNQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133189
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)OCc1ccccc1	EMOLS-id_328216954,MCULE-8102590901	422.518	UMNBDWXQNSDGAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133190
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(OCc2ccccc2)c1	EMOLS-id_328216698,MCULE-6248323515	422.518	NPFOHMWMPPMZLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133191
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCc1ccc(cc1)c1ccccc1O	MCULE-4123212558,EMOLS-id_328213886	422.518	XNTNPVVAYBNRLT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-133192
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)c(cc1)C	PC-id_16505597	422.518	RPGUCVIENJVYST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133193
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)C1OCCC1)C(=O)OC	PC-id_78601994	422.518	SNAVJJZYVBAELW-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-133194
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)[C@H]1OCCC1)C(=O)OC	PC-id_8067399	422.518	SNAVJJZYVBAELW-AWEZNQCLSA-O	00000010100010000001000010000000000000000000000000000000	25-01-133195
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)[C@@H]1OCCC1)C(=O)OC	PC-id_8067401	422.518	SNAVJJZYVBAELW-CQSZACIVSA-O	00000010100010000001000010000000000000000000000000000000	25-01-133196
s1c2c(CCC2)c(c1NC(=S)Nc1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_19678030	422.518	JEAVCGIXFSFPGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133197
c12CN(Cc1nn(CC1CCCCC1)c2C(=O)NC1CC1)C(=O)OCc1ccccc1	MCULE-4860433438,EMOLS-id_324355687	422.52	PCXMAKXRJZPBQC-UHFFFAOYSA-N	00100010100010110001000010000000000000000000000000000000	25-01-133198
CCCCOc1ccc(cc1)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109588	422.52	XGMSOHHBPLJFME-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133199
O=C(N1CCN(CC1)CC(=O)NC(C)C)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861257	422.52	MGPKRVWIFLMLDU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133200
O=C(N1CCN(CC1)CC(=O)NC(C)C)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52340366	422.52	MGPKRVWIFLMLDU-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133201
O=C(N1CCN(CC1)CC(=O)NC(C)C)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_52340367	422.52	MGPKRVWIFLMLDU-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-133202
c12c(CCC1C(=O)OCC)sc(NC(=O)CSc1[nH]c(=O)cc(C(C)C)n1)n2	MCULE-4131823020,PC-id_146025381	422.522	MFBRLBYQFDSGNT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-133203
C1Cn2c(c(cn2)CCNC=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL5148556,PC-id_86595307	422.522	ATQPHLVZACAATD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133204
CCC(C(=O)Nc1c(c2c(s1)CCC2)C(=O)OCC)Sc1nc(cc(=O)[nH]1)N	PC-id_135445813	422.522	MEQVBJDONWXXDO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-133205
NC(=O)CCc1cnn2c1N(CC2)C(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL5147580,PC-id_17961983	422.522	SGKHHQWZVBIOMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133206
s1c2CCCc2c(c1NC(=O)CSc1n(c2ccccc2)c(=O)cc(n1)C)C#N	PC-id_4260446	422.523	IGZXWIYEGVEKQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133207
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnnn1CC1CCCO1	MCULE-3066704295,EMOLS-id_11860980,PC-id_16388049	422.525	TXIPPUKRQRMTHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133208
C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4302192,ZINC22_9949715,PC-id_41290964	422.525	TXIPPUKRQRMTHO-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133209
C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41290966,CoCoCo_4302194,ZINC22_9949720	422.525	TXIPPUKRQRMTHO-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133210
C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9949725,PC-id_41290968,CoCoCo_4302193	422.525	TXIPPUKRQRMTHO-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133211
C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9949730,PC-id_41290972,CoCoCo_4302191	422.525	TXIPPUKRQRMTHO-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133212
C[C@@H](OCC1CC1)C(=O)N1CCC([S@@](=O)(=NC(=O)c2occ3c2CCC3)C)CC1	ZINC22_2332238659	422.538	HDCSELNFHHJQKY-IZPCHGGPSA-N	00100010100010000000000010000000000000000000000000000000	25-01-133213
C[C@H](OCC1CC1)C(=O)N1CCC([S@@](=O)(=NC(=O)c2occ3c2CCC3)C)CC1	ZINC22_2332238660	422.538	HDCSELNFHHJQKY-MLNJSSBLSA-N	00100010100010000000000010000000000000000000000000000000	25-01-133214
C[C@H](OCC1CC1)C(=O)N1CCC([S@](=O)(=NC(=O)c2occ3c2CCC3)C)CC1	ZINC22_2332238661	422.538	HDCSELNFHHJQKY-MMEWPQADSA-N	00100010100010000000000010000000000000000000000000000000	25-01-133215
C[C@@H](OCC1CC1)C(=O)N1CCC([S@](=O)(=NC(=O)c2occ3c2CCC3)C)CC1	ZINC22_2332238662	422.538	HDCSELNFHHJQKY-ONSXPEOJSA-N	00100010100010000000000010000000000000000000000000000000	25-01-133216
CCOC(=O)c1c(NC(=O)C2CCCCN2C(=O)OC(C)(C)C)sc2CCCc12	MCULE-3008084332,EMOLS-id_328080536	422.538	JRWFAMLVBDBJJD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133217
CCOC(=O)c1c(NC(=O)C2CCCN(C2)C(=O)OC(C)(C)C)sc2CCCc12	MCULE-4918271675,EMOLS-id_327878066	422.538	LEQQBOKJASAXMK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133218
CCOC(=O)c1c(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)sc2CCCc12	MCULE-8541346915,EMOLS-id_327902617	422.538	BNWOCFWDYGRQIN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133219
CO[C@@H](C(=O)N=[S@]1(=O)CCCN(C(=O)c2occ3c2CCC3)CC1)C1CCCC1	ZINC22_2332238898	422.538	PCNNSKDNXXDTBT-LBEKAKSKSA-N	00000010100000000101000010000000000000000000000000000000	25-01-133220
CO[C@@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)c2occ3c2CCC3)CC1)C1CCCC1	ZINC22_2332238899	422.538	PCNNSKDNXXDTBT-LDLUVENISA-N	00000010100000000101000010000000000000000000000000000000	25-01-133221
CO[C@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)c2occ3c2CCC3)CC1)C1CCCC1	ZINC22_2332238900	422.538	PCNNSKDNXXDTBT-RBSBEOHCSA-N	00000010100000000101000010000000000000000000000000000000	25-01-133222
O=C(C(F)(F)F)N[C@H]1[C@H](O)C(=O)c2c1c(Br)sc2Br	CoCoCo_5726756	423.001	NTDRHDWPJJMJNF-WUJLRWPWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133320
CO[C@H](C(=O)N=[S@]1(=O)CCCN(C(=O)c2occ3c2CCC3)CC1)C1CCCC1	ZINC22_2332238901	422.538	PCNNSKDNXXDTBT-YRVHBCJASA-N	00000010100000000101000010000000000000000000000000000000	25-01-133223
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(COC)C	PC-id_45663341	422.538	NPUBLCRZDKIGHB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133224
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N[C@H](COC)C	PC-id_51481550	422.538	NPUBLCRZDKIGHB-ZDUSSCGKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133225
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N[C@@H](COC)C	PC-id_51481551	422.538	NPUBLCRZDKIGHB-CYBMUJFWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133226
s1c2c(CCC2)c(c1NC(=O)CN(CC1CC1)CCC(=O)OCC)C(=O)OCC	PC-id_56225652	422.538	QZDOIZCCIQHDCZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-133227
c1(c2CCCc2sc1NCc1ccc(cc1)OCC)C(=O)Nc1ccccc1OC	CoCoCo_2720365,MCULE-2815920229,EMOLS-id_16406098,PC-id_4689865	422.54	RPBYCACOYONJOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133228
c1(c2CCCc2sc1NCc1ccccc1OCC)C(=O)Nc1ccc(cc1)OC	EMOLS-id_16406104,MCULE-5406705128,CoCoCo_2720369,PC-id_4453197	422.54	QRWQPHVUJFECMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133229
c1(c2CCCc2sc1NCc1ccc(cc1)OCC)C(=O)Nc1ccc(cc1)OC	ZINC22_2837894,MCULE-1799732747,PC-id_2194034,EMOLS-id_2219639,CoCoCo_944953	422.54	CSHROOQTNOHMQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133230
c1(c2CCCc2sc1NCc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)OCC	CoCoCo_2720373,EMOLS-id_9919708,PC-id_3520079,MCULE-5230506150	422.54	UESQFEFYVOZIBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133231
c1(c2CCCc2sc1NCc1ccc(cc1)OC)C(=O)Nc1ccccc1OCC	MCULE-2330170538,EMOLS-id_16406128,PC-id_3460849,CoCoCo_2720387	422.54	FJSFOQWJRRUXMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133232
c1(c2CCCc2sc1NCc1cccc(OC)c1)C(=O)Nc1ccccc1OCC	CoCoCo_2720390,SCHEMBL8290626,MCULE-7336367018,ZINC22_3066009,PC-id_5174546,EMOLS-id_8598261	422.54	BACMGYDSXKSFJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133233
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5849394810,EMOLS-id_334341284	422.54	DXHLCWCOMZHMSG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133234
c1(NC(=O)CCc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5990751554,EMOLS-id_334338989	422.54	BHHIFJMGBGFIQK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133235
Cc1ccc([C@H](NC(=O)c2cc3c([nH]2)CCC3)c2cccc(S(=O)(=O)C)c2)c(C)c1	ZINC22_2325727277	422.54	AALGZNWXQHVBQL-HSZRJFAPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133236
Cc1ccc([C@@H](NC(=O)c2cc3c([nH]2)CCC3)c2cccc(S(=O)(=O)C)c2)c(C)c1	ZINC22_2325727278	422.54	AALGZNWXQHVBQL-QHCPKHFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133237
CCOc1ccc(cc1)NC(=O)c1c(NCc2cccc(c2)OC)sc2c1CCC2	CoCoCo_2720376,PC-id_4548835	422.54	BCWXKZJAIXOSAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133238
CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328221559,MCULE-8292643351	422.54	SBJWDDVUGVGRIT-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-133239
CCOC(=O)c1cc(CC)sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328222839,MCULE-7496629452	422.54	KMTMBJSZUYUECZ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-133240
CSc1ccc(n1C)C(=O)c1c(C)cc2n1CCC2C(=O)OC(c1ccccc1)C	PC-id_13555838,SCHEMBL10847520	422.54	SSIYSNWHVQLLBB-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-133241
CSc1ccc(n1C)C(=O)c1c(C)cc2n1CC(C2)C(=O)OC(c1ccccc1)C	SCHEMBL10845692,PC-id_20228249	422.54	UVXFERLAZKJCED-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-133242
CS(=O)(=O)c1ccccc1CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328214394,MCULE-8348244702	422.54	UFVNAVJUIJPETH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133243
O=C1CCCC(=O)N1CCS(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110023	422.542	ZJLZLGNQMJWUMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133244
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)C(=O)OC(C)(C)C)C)C(=O)N	PC-id_52758828	422.542	LKAMZTGFNZJPHE-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133245
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)C(=O)OC(C)(C)C)C)C(=O)N	PC-id_52758829	422.542	LKAMZTGFNZJPHE-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133246
s1c2c(CCC2)c(c1NC(=O)CN1CCCN(CC1)C(=O)OCC(C)C)C(=O)N	PC-id_56360361	422.542	QCDIWLHIFGMWSR-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-133247
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC(=O)NCC)C(=O)OCC	PC-id_36889232	422.542	KOSLIIYZTCOKAE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133248
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)OC(C)(C)C)C)C(=O)N	PC-id_75918222	422.542	LKAMZTGFNZJPHE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133249
C1Cc2c(C1C(=O)Nc1ccc(cc1)CCNCC(c1ccccc1)O)nc(s2)N	PC-id_88958544	422.543	JIQSYYOQMJRVTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133250
Cc1ccc(c2noc([C@H](C)N3CCN(C(=O)c4cc5c(s4)CCC5)CC3)n2)cc1	PC-id_32189955,ZINC22_24874171,CoCoCo_4873581	422.543	DOKZSIOWHFPHCP-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133251
Cc1ccc(c2noc([C@@H](C)N3CCN(C(=O)c4cc5c(s4)CCC5)CC3)n2)cc1	ZINC22_24874163,PC-id_32189949,CoCoCo_4873580	422.543	DOKZSIOWHFPHCP-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133252
Cc1ccc(cc1)c1noc(n1)C(N1CCN(CC1)C(=O)c1sc2c(c1)CCC2)C	MCULE-3366469511,EMOLS-id_44105957,PC-id_45886381	422.543	DOKZSIOWHFPHCP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133253
CCCCOCC1(COCCCC)Cc2c(C1)c(=C(C#N)C#N)sc2=C(C#N)C#N	PC-id_101458959	422.543	KYARUVDLDKXLTN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133254
O=C(C1CCc2c1nc(s2)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O	SCHEMBL12799273	422.543	JIQSYYOQMJRVTE-GGYWPGCISA-N	00000010100000110001000010000000000000000000000000000000	25-01-133255
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)Nc1ccccc1)C#N	PC-id_36059927	422.543	LIANNADUYFVKTL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133256
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(NC(=O)c2ccccc2)CC1)C#N	PC-id_36064258	422.543	YZVSVXXCKQRGLB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133257
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1ccc(cc1)C(=O)C)C#N	PC-id_36006175	422.543	KPLBPIOLIJVUCC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133258
c1(NC(=O)CSc2c(ccc(c3cccs3)n2)C#N)sc2c(CCC2)c1C#N	SPECS-id_AM-807/14147366,PC-id_1773590,CoCoCo_6930118,MCULE-5042691800,ZINC22_8451125,STOCK2S-97065,EMOLS-id_3750054	422.546	GTWOOPIRGPCIDE-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-133259
CC/C=C/1N(C)C(=O)c2c1c([nH]c2C(C/C=CC=C/C=C)O)C(/C(=C/C)/C=CCC)O	PC-id_143624279	422.56	SZKVYPMOCRUOBR-QMOJMQNPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133260
c1(NC(=O)CS(=O)C(CC)C(=O)OC2CCCCC2)sc2c(CCC2)c1C#N	MCULE-4502801410,EMOLS-id_320679786	422.561	GLWCJSBCXMGGND-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133261
s1c2CCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)c(OCC)cc1	PC-id_9224061	422.561	IBSFXQSDKGDUOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133262
c1(NC(=O)C=Cc2cccs2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3263867647	422.563	IXWCHUVRVUXFMA-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-133263
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCN1CCN(CC1)Cc1ccccc1	PC-id_101676819	422.563	QFEYJDFJFPZTLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133264
O=C(Nc1sc2CCCc2c1C(=O)NCCc1ccccc1)/C=C/c1cccs1	EMOLS-id_334329002	422.563	IXWCHUVRVUXFMA-VAWYXSNFSA-N	00000010100100110000000010000000000000000000000000000000	25-01-133265
s1c2c(CCC2)c(c1NC(=S)Nc1c(Cc2ccccc2)cccc1)C(=O)OC	PC-id_20167955	422.563	LICIOFDXELNVIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133266
s1c2c(CCC2)c(c1NC(=S)NC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19651977	422.563	BSPJLFLTRZXJCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133267
s1c2c(CCC2)c(c1NC(=S)N(Cc1ccccc1)c1ccccc1)C(=O)OC	PC-id_19678441	422.563	UGXYGQWDCFVNGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133268
CCCNC(=O)C[N@@H+]1CCN(CC1)[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC23364358	422.565	MOLBDEDHFGSJAO-CYBMUJFWSA-O	00000010100010000001000010000000000000000000000000000000	25-01-133269
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCCCC)cnn1)C(=O)OCC	PC-id_8256586	422.565	LUEZWJZOQVJAEI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133270
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C(C)C)C(=O)OC	PC-id_17298641	422.565	JMSCLHJZCWYTIG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133271
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)CC)C(=O)OCC	PC-id_19716693	422.565	PIKZQZSCBGCBEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133272
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)CC)C(=O)OCC	PC-id_19716807	422.565	HRHLRHIOOCEMPK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133273
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CCC)C(=O)OC	PC-id_19717294	422.565	NNVBTOPXSCSCPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133274
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC)C(=O)OCC	PC-id_17297876	422.565	QOCLDXOGKGJPRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133275
CC(c1nn2c(n1)c(=Cc1c3[nH]c(nn3nc1C(C)(C)C)C(C)C)c(n2)C(C)(C)C)C	SCHEMBL13940495	422.57	PBJNTUMPFQUSFA-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-133276
[nH]1n2nc(nc2c(c1C(C)(C)C)C=c1c(nn2nc(nc12)C(C)C)C(C)(C)C)C(C)C	PC-id_57553679	422.57	OHHRGZFNMOAAGM-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-133277
S1(=O)(=O)C(Cc2c1sc(c2)CC(S(=O)(=O)N)(C)C)(C)C(=O)NCC(C)C	PC-id_19759877	422.583	KNSWHQVBDSRQRV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133278
CNc1c(c2c(s1)CC[C@@H]2C[C@@H](C(=O)N)OC)C(=N)OC1CCC(CC1)N(C)C	PC-id_136634839	422.585	ITHOSCDVXVVHNK-URGYJCLVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133279
CO[C@H](C(=O)N)C[C@H]1CCc2c1c(C(=N)O[C@@H]1CC[C@H](CC1)N(C)C)c(s2)NC	SCHEMBL15115687	422.585	ITHOSCDVXVVHNK-TUVASFSCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-133280
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)CC(=O)NCCOC	PC-id_44052977	422.585	DADKWJOWFVYQGR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133281
O=C(N(C[C@H]1C[NH+](C2CCCCC2)CCC1)Cc1cccnc1)c1n[nH]c2c1CCC2	PC-id_42596789	422.586	KZBOBIXDIQYDLH-HXUWFJFHSA-O	00000010100010101001100010000000000000000000000000000000	25-01-133282
O=C(N(C[C@@H]1C[NH+](C2CCCCC2)CCC1)Cc1cccnc1)c1n[nH]c2c1CCC2	PC-id_42596791	422.586	KZBOBIXDIQYDLH-FQEVSTJZSA-O	00000010100010101001100010000000000000000000000000000000	25-01-133283
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1ccc(cc1)CC)c1sccc1)C#N	PC-id_84832331	422.586	PQZKNXIRCQQJJN-UHFFFAOYSA-O	00000010100100110000000010000000000000000000000000000000	25-01-133284
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1ccc(cc1)CC)c1sccc1)C#N	PC-id_8769157	422.586	PQZKNXIRCQQJJN-QFIPXVFZSA-O	00000010100100110000000010000000000000000000000000000000	25-01-133285
s1c2CCCc2c(c1NC(=O)C[NH2+][C@H](c1ccc(cc1)CC)c1sccc1)C#N	PC-id_8769160	422.586	PQZKNXIRCQQJJN-JOCHJYFZSA-O	00000010100100110000000010000000000000000000000000000000	25-01-133286
COC(=O)C1=C(SC(=CC=C2SC3=C(S2)SCS3)S1)C(=O)OC	PC-id_101576950	422.606	MLADYFQXSUCZRO-UHFFFAOYSA-N	00000011000000000001000010000000000000000000000000000000	25-01-133287
S1CC[NH+](C[C@@H](O)COc2c(C[NH2+]Cc3nc4SCCn4c3)cccc2)CC1	PC-id_25278440	422.608	GLTVEFVAGWZFCR-GOSISDBHSA-P	00000010100010110001000010000000000000000000000000000000	25-01-133288
S1CC[NH+](C[C@H](O)COc2c(C[NH2+]Cc3nc4SCCn4c3)cccc2)CC1	PC-id_25278442	422.608	GLTVEFVAGWZFCR-SFHVURJKSA-P	00000010100010110001000010000000000000000000000000000000	25-01-133289
S1CC[NH+](CC(O)COc2c(C[NH2+]Cc3nc4SCCn4c3)cccc2)CC1	PC-id_74414697	422.608	GLTVEFVAGWZFCR-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-133290
s1c2c(CCC2)c(c1NC(=S)NC1CCCCCCCCCCC1)C(=O)OC	PC-id_19652529	422.648	FXMACJPEPIMLIV-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-133291
ClC(=O)N1C(c2nn(c(NC(=O)C3(CC3)C(F)(F)F)c2C1)C(=O)OCC)(C)C	PC-id_57523243	422.787	GPYOJRGPVKRZBV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-133292
CCOC(=O)n1nc2c(c1NC1OC1c1ccc(cc1)F)CN(C2(C)C)C(=O)Cl	PC-id_143492488	422.838	KRVLRLVRUJAQHF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-133293
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1F)CN(C2(C)CC)C(=O)Cl	PC-id_143492494	422.838	WTSBMUGQAANHBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133294
CCOC(=O)n1nc2c(c1NC(=O)Cc1ccc(cc1)F)CN(C2(C)C)C(=O)Cl	PC-id_58015708,SCHEMBL1205756	422.838	BXEWMXCAEPWKST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133295
Clc1c(C2=NOC(C2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(F)ccc1	PC-id_19489518	422.858	DCDZFHDYNDMONW-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-133296
Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-3219253001,CoCoCo_2937068,ZINC22_9492396,EMOLS-id_3360988,PC-id_4883312	422.883	PRYVSGZVJLVZHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133297
Cc1cc(OCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1Cl	MCULE-8500984169,EMOLS-id_43750915,ZINC22_9781804,PC-id_16331463,CoCoCo_2999126	422.883	SHPVJUHPVAKSCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133298
Clc1c(N)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_16524898	422.883	HDXQDTPTGFUJTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133299
Clc1c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(cc1)C	PC-id_18282392	422.883	YSXHMEMRFJPADU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133300
c1(NC(=O)c2c(cccc2Cl)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3564643171,EMOLS-id_334339747	422.901	IOEDYBIRARKFPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133301
CCOC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(Cl)c1	EMOLS-id_328223601,MCULE-9735073875	422.904	OJLYFZJORDSUSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133302
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2899232824,EMOLS-id_334387220	422.926	GTVKPRFAADKONN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133303
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386462,MCULE-4538468431	422.926	ILYJMUISSYXNBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133304
Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536360	422.929	CFILEGAWHXGIOY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133305
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCCOc1ccc(Cl)cc1	EMOLS-id_186628409,MCULE-2129007753	422.949	LYIGLRZWVRVCLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133306
Clc1ccc(cc1)OCC[N@@H+]([C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	GD-id_ZINC08532549,PC-id_40759947	422.949	LTRRVIWJANBGKP-GFCCVEGCSA-O	00000010100000110000000010000000000000000000000000000000	25-01-133307
Clc1ccc(CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_4936903	422.949	HDSVSFAOUBHXIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133308
Clc1c(CCC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_17179269	422.949	FWGIZWVXTBMHRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133309
Clc1ccc(OCC[NH+](C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_74719395	422.949	LTRRVIWJANBGKP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-133310
Clc1ccc(OCC[NH+]([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_40759945	422.949	LTRRVIWJANBGKP-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-133311
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]CCC)c(OC)cc1	PC-id_7280559	422.949	NLTUVPXIQUBZAU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-133312
CCCCn1/c(=N/C(=O)c2cc(Cl)ccc2OC)/sc2c1C(C)(C)OC2(C)C	SCHEMBL4902180,PC-id_25127609	422.969	QOIVEQXYBBTWBN-NMWGTECJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133313
Clc1cc(C(=O)/N=c/2sc3C(OC(c3n2CC(C)C)(C)C)(C)C)c(OC)cc1	PC-id_25123306,SCHEMBL944852	422.969	ZMPHSCPQQFIPGN-NMWGTECJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133314
COc1ccc(cc1C(=O)N=c1sc2c(n1CC(C)C)C(OC2(C)C)(C)C)Cl	SCHEMBL944853	422.969	ZMPHSCPQQFIPGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133315
Clc1sc(C[NH+]2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_9291275	422.995	JSVKCUZTJAWNLC-UHFFFAOYSA-P	00000010100110000001000010000000000000000000000000000000	25-01-133316
Brc1sc(Br)c2c1[C@@H](N)[C@@H](OC(=O)C(F)(F)F)C2=O	PC-id_10070922	423.001	UJNFWLOLORPXRB-NQXXGFSBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133317
Brc1sc(Br)c2c1[C@@H](NC(=O)C(F)(F)F)[C@@H](O)C2=O	CoCoCo_5726755,PC-id_10477365	423.001	NTDRHDWPJJMJNF-NQXXGFSBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133318
Brc1sc(Br)c2c1C(NC(=O)C(F)(F)F)C(O)C2=O	PC-id_378809	423.001	NTDRHDWPJJMJNF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133319
O=C(C(F)(F)F)N[C@@H]1[C@@H](O)C(=O)c2c1c(Br)sc2Br	CoCoCo_5726757	423.001	NTDRHDWPJJMJNF-WVZVXSGGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133321
O=C(C(F)(F)F)N[C@@H]1[C@H](O)C(=O)c2c1c(Br)sc2Br	CoCoCo_5726758,NSC662127	423.001	NTDRHDWPJJMJNF-UCORVYFPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133322
COC[C@H]1n2c(Br)c(cc2[C@@]([C@@H]1CO)(O)C(F)(F)F)Br	PC-id_102046445	423.021	CTQLUGAEIZWLPN-VISXPRAWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133323
C1C2=CN(N=C2CN1C(=O)COCCO)S(=O)(=O)C3=NN(C=C3)CC(F)(F)F	PC-id_164931949	423.082	ZTUHZRMHHBPAOF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133324
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3F)O)SC4=CN(N=C4)CC(F)F	PC-id_164872210	423.098	MARQBYKWNFJWAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133325
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3F)O)SC4=NN(C=C4)CC(F)F	PC-id_164872166	423.098	GDWWJIFGCDVJGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133326
Brc1sc(Br)c2C(=O)N(C(CCCCCC)C)C(=O)c12	SCHEMBL14716584,PC-id_71268776	423.163	CXDBRNLQDRWUQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133327
BrC(Br)CCC(CCCC)c1scc2c1C(=O)NC2=O	PC-id_67248227,SCHEMBL2014634	423.163	WETJJFABYCTBMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133328
CCC(C)CC(CC(c1c2c(cs1)C(=O)NC2=O)Br)Br	SCHEMBL15452986,PC-id_89953447	423.163	KZLLOIFHQXKGLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133329
CCCCCCCCN1C(=O)c2c(Br)sc(Br)c2C1=O	EMOLS-id_44469849,ZINC22_100045794,PC-id_66886624,SCHEMBL1041919,MCULE-8866855229	423.163	GSGMEQUXTCYOAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133330
CCCCC(CC)CN1C(=O)c2c(Br)sc(Br)c2C1=O	MCULE-1439004432,PC-id_58261078,SCHEMBL1037798,MCULE-1499989859,EMOLS-id_43467432	423.163	AOZLCBYWDXFKCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133331
CCC(CCCCN1C(=O)c2c(C1=O)c(sc2Br)Br)C	PC-id_141454040	423.163	RNJWAYNAKLBDPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133332
CCCCCCN1C(=O)c2c(C1=O)c(sc2C(Br)C)Br	PC-id_89414054,SCHEMBL14716587	423.163	FFZQDOLUHFUMNC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133333
CCCC[C@H](CC)CN1C(=O)c2c(Br)sc(Br)c2C1=O	EMOLS-id_324005647,ZINC22_86003211	423.163	AOZLCBYWDXFKCJ-QMMMGPOBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133334
CCCC[C@@H](CC)CN1C(=O)c2c(Br)sc(Br)c2C1=O	ZINC22_86003207	423.163	AOZLCBYWDXFKCJ-MRVPVSSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133335
CCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)CCC	PC-id_101883539	423.163	HFQFSWKRGGMHBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133336
CCC1=CC(=C(C=C1C2=CC(=C(C=C2)C(=[NH2+])C3=NC4=C(N3)CN(C4)C(=O)NC)N)F)O	PC-id_154689192	423.194	ZGQHYORBTDLJKW-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-133337
CCCCC([Sn]c1nn(c2c1CCC2)C)(CCCC)CCCC	PC-id_141365119	423.214	ZGBNPRDDOLBZNI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133338
C1Cc2c(C1)n(nc2C(=O)Nc1cc(nc(c1)F)F)Cc1c(cc(cc1)Cl)Cl	PC-id_137652468	423.243	QHSGQAKKMRXZOI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-133339
CC1=CC=CC=C1NC(=O)N2CC3=C(C2(C)C)NN=C3NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587075	423.263	ORKJQMSTWIMGCD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-133340
N#Cc1c(/N=C/c2ccco2)c(C(=O)Nc2ccc(Br)cc2)n2c1CCC2	CHEMBL4454216	423.263	MSFIFMOBKMAINX-FSJBWODESA-N	00000010101000110000000010000000000000000000000000000000	25-01-133341
c12CN(Cc1sc(I)c2C(=O)OCC)C(=O)OC(C)(C)C	EMOLS-id_331065893,MCULE-5825506268	423.266	MTWVGQOJZAZTAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133342
N#Cc1c(NC(=O)CNc2ccc(I)cc2)sc2c1CCC2	EMOLS-id_3153088,PC-id_2495340,CoCoCo_3686592,ZINC22_3377314,MCULE-3426256563	423.271	DSHUXWQPKDJPGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133343
Brc1cc(c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1)C=O	PC-id_38900473	423.281	UICKJPVXLONENU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133344
NC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)cc2)sc2c1CCC2	MCULE-4073930888,PC-id_3892624,EMOLS-id_3489700,CoCoCo_3032332,ZINC22_9586366	423.281	CYUBTIQAABORJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133345
NC(=O)c1c(NC(=O)COC(=O)c2cccc(Br)c2)sc2c1CCC2	MCULE-3731732688,ZINC22_13148452,PC-id_3989428,CoCoCo_2907271,EMOLS-id_3487265	423.281	VDYUGFNOLFIVGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133346
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2Br)sc2c1CCC2	ZINC22_3283897,EMOLS-id_45706532,MCULE-3903248081,NSC744267,PC-id_2399421	423.281	UKKUBSMJHKKPFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133347
Cc1cc(Br)ccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861331,MCULE-2098366026,EMOLS-id_31548360	423.302	LOOWIZSBIYUCPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133348
Cc1cc(Br)ccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340512,ZINC22_51364561	423.302	LOOWIZSBIYUCPH-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133349
Cc1cc(Br)ccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340513,ZINC22_51364562	423.302	LOOWIZSBIYUCPH-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133350
Cc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(Br)c1	MCULE-4426680277,PC-id_46861336,EMOLS-id_31548370	423.302	LANJSGYDPUPHGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133351
Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(Br)c1	ZINC22_51364571,PC-id_52340522	423.302	LANJSGYDPUPHGZ-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133352
Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(Br)c1	ZINC22_51364572,PC-id_52340523	423.302	LANJSGYDPUPHGZ-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133353
Cc1cc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)ccc1Br	EMOLS-id_31548362,PC-id_46861332,MCULE-2944142262	423.302	UIROMKJSLVLURS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133354
Cc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)ccc1Br	PC-id_52340515,ZINC22_51364564	423.302	UIROMKJSLVLURS-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133355
Cc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)ccc1Br	ZINC22_51364563,PC-id_52340514	423.302	UIROMKJSLVLURS-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133356
CCCOc1c(Br)cc(C(=O)NCCc2nnc3n2CCC3)cc1OC	ZINC22_225504990,PC-id_100658702,EMOLS-id_53750653,MCULE-7030169314	423.304	PAZUKFYFKKQEFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133357
Brc1cc(CCC(=O)NNC(=O)c2sc3CCCc3c2)ccc1OC	EMOLS-id_24077422,MCULE-1755756619,CoCoCo_4731114,PC-id_35677737	423.324	KMPVHYIMFFVPNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133358
Brc1ccc(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)(C)C)cc1	PC-id_30308714	423.324	WGNLCZSENNUPBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133359
c1(c2CCCc2sc1NC(=O)CBr)C(=O)Nc1ccccc1OCC	CoCoCo_6728365,PC-id_3769861,MCULE-4437506424,EMOLS-id_2763578	423.324	PBLWTBXSHCVPOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133360
c1(cc(C)cc(Br)c1N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328195806,MCULE-4382089149	423.324	URSWYZGPLQAEKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133361
c1(NC(=O)COc2ccc(cc2Br)CC)sc2c(CCC2)c1C(=O)N	MCULE-3906631292,PC-id_19202141	423.324	WHWZAWFJHZOTFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133362
c1(NC(=O)COc2ccc(cc2CC)Br)sc2c(CCC2)c1C(=O)N	MCULE-2511126550,PC-id_19202135	423.324	WSYKWFRZCXYFGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133363
c1(NC(=O)COc2c(C)cc(cc2C)Br)sc2c(CCC2)c1C(=O)N	PC-id_19175744,MCULE-9779747204	423.324	LVLZAULWDWRJEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133364
COC(=O)c1c(NC(=O)CNc2ccc(Br)c(C)c2)sc2c1CCC2	MCULE-8413013053,PC-id_3536226,CoCoCo_3371616,ZINC22_12624779,EMOLS-id_3062060	423.324	BKBXMOXQMGEAKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133365
CCNC(=NCc1nnc2n1CCC2)NCCCc1ccc(cc1F)Br	PC-id_111604033	423.326	ZMONVRIJAOAECR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133366
Brc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc1	PC-id_44052890	423.327	DBYSJCIMBVOWLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133367
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)ccc1	PC-id_44052889	423.327	HFRSMRXNUMFQEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133368
Brc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cccc1	PC-id_44052888	423.327	DEIKOEDHGHGPKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133369
Brc1ccc(CS(=O)CC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_186594829,MCULE-4250070938	423.347	XUDCVHFLZOXBCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133370
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC(C)Cn2ccc(C(F)(F)F)n2)n1	PC-id_19591223,MCULE-1718307650,TIMTEC586777,EMOLS-id_8867988	423.356	ZAGUDUXYTYRPOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133371
C[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cn1ccc(C(F)(F)F)n1	PC-id_29092452,ZINC22_20607536	423.356	ZAGUDUXYTYRPOX-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133372
C[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cn1ccc(C(F)(F)F)n1	ZINC22_20607535,PC-id_29092451	423.356	ZAGUDUXYTYRPOX-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-133373
n12CC(Oc1ncc2N(=O)=O)CSc1nc(c2ccccc2)cc(n1)C(F)(F)F	EMOLS-id_1480112,BAS-06330836,PC-id_3153920,MCULE-6711095375	423.369	PCECMFFBTRGXJC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133374
O=[N+]([O-])c1cnc2n1C[C@@H](CSc1nc(c3ccccc3)cc(C(F)(F)F)n1)O2	ZINC22_4010337,CoCoCo_348606,PC-id_6549545	423.369	PCECMFFBTRGXJC-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-133375
O=[N+]([O-])c1cnc2n1C[C@H](CSc1nc(c3ccccc3)cc(C(F)(F)F)n1)O2	ZINC22_800675,CoCoCo_348605,PC-id_1084295	423.369	PCECMFFBTRGXJC-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133376
N#Cc1nc2n(c1CCC(=O)O)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261636	423.386	YADZPWOGBZYQTB-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133377
COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC2)NC(=O)c1ccccc1	PC-id_569981,MCULE-5480875574	423.409	AXARBYROGSCRCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133378
Brc1nc2n(c1[Si](C)(C)C)C[C@H](O2)COc1ccc(cc1)C(C)(C)C	PC-id_140261712	423.419	DIKNNSTYRJSDPK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133379
O=C(Nc1ccc(cc1)C)Nc1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117999610,SCHEMBL16624929	423.422	QBZHHBQFOGCRGA-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133380
O=C(Nc1ccc(cc1)C)Nc1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19704663	423.422	QBZHHBQFOGCRGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133381
COc1ccc(cc1C(=O)/N=c
/n(C[C@H]2CCCO2)n(c2c1CCC2)C)C(F)(F)F	SCHEMBL477848,PC-id_25260888	423.429	BWGRLVZYNHOJGB-LZLNEJNISA-N	00000010100000110001000010000000000000000000000000000000	25-01-133382
FC(F)(F)c1cc(C(=O)/N=c/n(n(c3c2CCC3)C)CC2OCCC2)c(OC)cc1	PC-id_74437622	423.429	BWGRLVZYNHOJGB-NCELDCMTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133383
CNC(=O)N1Cc2c(C1)[nH]nc2C(N1CCC(CC1)c1ccccc1C(F)(F)F)O	SCHEMBL20695788,PC-id_137456427	423.432	DJQZQEZPILFEFB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133384
C[C@@](CCN1Cc2cc(C#CC#C[C@H](O)CO)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18729921,CHEMBL4522368	423.44	CPNJZWZJAWNRHF-MAUKXSAKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133385
COC(=O)c1c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)sc2c1CCC2	ZINC22_13015241,EMOLS-id_3510760,PC-id_16255852,MCULE-5283823435,CoCoCo_2818936	423.44	JQSBBFRNYVEZHQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133386
OCC(C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C)O	SCHEMBL18729922	423.44	CPNJZWZJAWNRHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133387
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN1CCC(=O)NC1=O)C(=O)OCC	PC-id_45040847	423.44	WTHPOAKXTYTXTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133388
c1(NC(=O)COc2nonc2CC(=O)Nc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333648017,MCULE-9545222230	423.445	AZPQJHBIBCBPGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133389
c1(NC(=O)COc2nonc2C(=O)Nc2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_333677560,MCULE-6413801899	423.445	LHZDNUXURFVEMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133390
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-9889814725,EMOLS-id_333678836	423.445	GNAHTOCUAVCZOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133391
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(C)c2)sc2CCCc2c1C#N	MCULE-9579301036,EMOLS-id_333677559	423.445	BGHMJFBZTWBFSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133392
c1(NC(=O)COc2nonc2C(=O)NCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333715771,MCULE-8509877809	423.445	LGMFAIIMGUUATL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133393
s1c2c(CCC2)c(c1Nc1nc(NCCOCCO)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127518	423.447	MAGFSQGYORSMLY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-133394
s1c2c(CCC2)c(c1Nc1nc(NCC(OC)OC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127544	423.447	MSXXNFPAIDDBDS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-133395
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(OC(F)(F)F)cccc1)C)C#N	PC-id_24665200	423.452	NMNHBRJODFAORO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133396
CN=C(NCc1nnc2n1CCC2)NCC1CCN(CC1)S(=O)(=O)C(F)(F)F	PC-id_111559204	423.457	IBVVZAAWLVDHKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133397
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1OC	ZINC22_27023181,EMOLS-id_45970864	423.46	POGKMLQMMNUQQK-UZYLVVNOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133398
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)C=Cc1ccc(cc1)F	MCULE-8401436359	423.46	POGKMLQMMNUQQK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133399
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_16947259	423.46	HZCVHSMHPQFMSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133400
O=c1n(c2c(n1Cc1ccccc1)C(=O)N(C2=O)Cc1ccccc1)Cc1ccccc1	NSC641062,CoCoCo_5701708,SCHEMBL5875112,PC-id_369308	423.463	OGMWOFMTYNSORS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133401
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N)cc1)C(=O)N	PC-id_55312834	423.463	KROQICIDYIVZIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133402
s1c2c(CN(C2=O)C(=O)NCCc2ccc(S(=O)(=O)NC(=O)OC)cc2)cc1	PC-id_56624851	423.463	HRPXFJVZJIBQFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133403
c1(C(=O)NC2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1COc1ccccc1	MCULE-9021406822	423.465	IPBSJQZFBXWHSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133404
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1COc1ccccc1	MCULE-5390509042,EMOLS-id_316326203	423.465	IPBSJQZFBXWHSO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133405
N#Cc1c2CCCn2c(c1NC(=O)CN1CCOCC1)C(=O)Nc1ccc(cc1)OC	CoCoCo_5763414,NSC696783,PC-id_393856	423.465	BKSDVDHDZZQYSH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133406
O=C(c1ccc(cc1)c1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1	SCHEMBL2919308,PC-id_68440896	423.467	VKDMZCGZIAXLKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133407
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(c1ccccc1)c1cnc[nH]1	PC-id_91452455	423.468	ZVYGBUHBYNTEAA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133408
O1C(CN2CCN(CC2)Cc2[nH]c(nc2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69481271,SCHEMBL5542011	423.468	SKBLKXYLBUCQDR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133409
OCC[NH2+]CCNc1nc(N)c(c(n1)Nc1sc2c(c1C(=O)N)CCC2)[N+](=O)[O-]	PC-id_52127523,GD-id_ZINC41301920	423.47	BBJZOFOVLKQQPI-UHFFFAOYSA-O	00000010100000100001000010000000000000000000000000000000	25-01-133410
CCOOCc1c(n(nc1)c1ccccn1)NN=C1C(=Nn2c1nc(n2)C)C(C)(C)C	PC-id_89279487	423.472	ZCTOGHXFSGCPTQ-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-133411
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1ccc(OC(F)F)cc1)C)C)C(=O)N	PC-id_55430756	423.477	JQOBCDHUKWWWRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133412
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1cc(OC(F)F)ccc1)C)C)C(=O)N	PC-id_56069732	423.477	XYTPRRNWZATTJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133413
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NC(C)C)c3)C2)cc(n(C)c1C)c1ccc(cc1)F	EMOLS-id_316327225,MCULE-1649992387	423.483	ZUMHXFKJCUXLOP-KRWDZBQOSA-N	00000010110000110001100010000000000000000000000000000000	25-01-133414
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-8971907397,PC-id_4183543,EMOLS-id_16383088,CoCoCo_2666503	423.483	UJWZWEWNBOIVOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133415
C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL17080550,PC-id_118368822	423.483	ZOSXUAJBKFSVMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133416
C#Cc1cn2c(c1)CN(C2=O)CC[C@](S(=O)(=O)C)(C(=O)NO[C@H]1CCCCO1)C	PC-id_118368823,SCHEMBL17080553	423.483	ZOSXUAJBKFSVMR-LPHOPBHVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133417
C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO[C@H]1CCCCO1)C	SCHEMBL17080614,PC-id_118368881	423.483	ZOSXUAJBKFSVMR-QFBILLFUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133418
C[C@@](CCN1Cc2cc(cn2C1=O)C#C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_118368879,SCHEMBL17080611,EMOLS-id_324007596	423.483	ZOSXUAJBKFSVMR-LRTDYKAYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133419
c12c(CCC1C(=O)Nc1ccc(c(OC)c1)OC)sc(NC(=O)c1ccccc1)n2	PC-id_16947115,MCULE-7423793449,EMOLS-id_12346291	423.485	AKYGGMKDBXWNLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133420
c1(c2CCCc2sc1NC(=O)c1ccncc1)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_1148654,MCULE-7513209573,CoCoCo_881279,EMOLS-id_2190708,PC-id_1319575,SPECS-id_AP-064/40657832	423.485	YEJZVFVCHXNFLD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-133421
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9343688656,EMOLS-id_334338477	423.485	ORAZTIPDUACLST-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133422
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C(=O)OCC)C2)sc2c(CCC2)c1C#N	EMOLS-id_322629184,MCULE-6733717248	423.485	JFEFNCHYGPYRQA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-133423
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)C)n2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_9879903,CoCoCo_6285865,ZINC22_12111547,PC-id_16453152,MCULE-7064541212,TIMTEC324975	423.485	NACFDPRHDKRVEL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133424
c1(NC(=O)c2c(=O)ccn(c3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)OCC	TIMTEC292115,EMOLS-id_9847570,ZINC22_12062539,CoCoCo_6264146,MCULE-6894283344,PC-id_16447268	423.485	LPNPFLMOVUTGEJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133425
c1(NC(=O)CNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338734,MCULE-1056749786	423.485	ZZIZNURPSBLZAL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133426
CCc1cccc(OCc2nc3s/c(=Cc4cccc(OC)c4OC)/c(=O)n3n2)c1	EMOLS-id_324890122	423.485	KUELBKVBWXEXQG-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133427
CCc1cccc(OCc2nc3s/c(=Cc4ccc(OC)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324886535	423.485	UDLJLKMYJNLFRB-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133428
CCc1cccc(OCc2nc3s/c(=Cc4cc(OC)ccc4OC)/c(=O)n3n2)c1	EMOLS-id_324886539	423.485	HUESMDWMLVJDIR-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133429
CCc1ccc(OCc2nc3s/c(=Cc4cccc(OC)c4OC)/c(=O)n3n2)cc1	EMOLS-id_324889089	423.485	DJEPCADPKOOTRC-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133430
CCc1ccc(OCc2nc3s/c(=Cc4ccc(OC)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324885517	423.485	HVEVSIUYYZUEPY-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133431
CCc1ccc(OCc2nc3s/c(=Cc4cc(OC)ccc4OC)/c(=O)n3n2)cc1	EMOLS-id_324889601	423.485	DVUAQDBKFWXNFU-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133432
CCCOc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324841717	423.485	OCRMZNWXTZZGMY-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133433
CCCOc1cccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)c1	EMOLS-id_324872194	423.485	NPGXFGXUEVQTNS-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133434
CCCOc1cccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)c1	EMOLS-id_324874245	423.485	KRQVEQJGRANLOV-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133435
CCOc1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324853492	423.485	CJEIEVHUHPSQAG-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133436
CCOc1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)ccc1OC	EMOLS-id_324849407	423.485	RXQQCAILMUQUIP-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133437
CCOc1cc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)ccc1O	EMOLS-id_324872710	423.485	SZSNDGUNZDBETG-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133438
CCOc1cc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)ccc1O	EMOLS-id_324874761	423.485	QYXPPTARYVXEHW-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133439
CCOc1cc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)ccc1O	EMOLS-id_324880907	423.485	HXAMJCGCKRWGKO-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133440
CCOc1cc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)ccc1OC	EMOLS-id_324867592	423.485	MKCFCELXRKTYHX-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133441
CCOc1cc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)ccc1O	EMOLS-id_324882958	423.485	BFLLGWFBYBJDJH-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133442
CCOc1cc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)ccc1O	EMOLS-id_324888071	423.485	ZIXCSLYYUQPEFA-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133443
CCOc1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324923912	423.485	KMJKTBOSSSUOME-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133444
CCOc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324852464	423.485	DSMYNUBIKDYQFG-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133445
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324844788	423.485	MOAOIAHRPMUACL-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133446
CCOc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_324866569	423.485	ALTPFVUXZJBFJA-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133447
CCOc1cccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)c1	EMOLS-id_324926476	423.485	WFNODBIWEDQOOA-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133448
CCOc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1O	EMOLS-id_324853495	423.485	XKEWDIQQAXTIRQ-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133449
CCOc1cccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1O	EMOLS-id_324872713	423.485	HBBINVVIRWMYAY-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133450
CCOc1cccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1O	EMOLS-id_324874764	423.485	VPWFUTSYUNLUGA-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133451
CCOc1cccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)c1O	EMOLS-id_324880910	423.485	VHAHWOVAMFVSFX-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133452
CCOc1cccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)c1O	EMOLS-id_324887041	423.485	LZZPVIJGXPUBPW-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133453
CCOc1cccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)c1O	EMOLS-id_324888074	423.485	MNUCNYXLTTWSKS-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133454
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(OCC)c4)/c(=O)n3n2)cc1	EMOLS-id_324879367	423.485	RCTYLVCNIWVHRP-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133455
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(OCC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324880898	423.485	ISRXUEWMHREJOL-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133456
COc1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324838648	423.485	QOWVWEUTADJLHM-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133457
COc1ccccc1OCc1nc2s/c(=Cc3cccc(OC(C)C)c3)/c(=O)n2n1	EMOLS-id_324873218	423.485	CJPJHGHZJDRSDT-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133458
COc1ccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324894216	423.485	CJLDHTSSJLLYJN-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133459
COc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324851956	423.485	PYGPBZVOXNUWBK-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133460
COc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1OC	EMOLS-id_324871174	423.485	BMVLFQBDLLLUTP-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133461
COc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1OC	EMOLS-id_324877320	423.485	NCRMUAMCDXOGOB-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133462
COc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1OC	EMOLS-id_324879371	423.485	LYGQIEDDGATSDS-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133463
COc1ccc(CCc2nc3s/c(=Cc4ccccc4OC)/c(=O)n3n2)cc1OC	EMOLS-id_324891658	423.485	MTEWFZOULPCTRX-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133464
COc1ccc(CCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)cc1OC	EMOLS-id_324893710	423.485	MEJCKPYIDUAOMB-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133465
COc1cccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)c1	EMOLS-id_324892682	423.485	MNSYHDCYYNQBAL-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133466
COc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1OC	EMOLS-id_324851448	423.485	HBOVJUFKHGDVPI-JXAWBTAJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133467
COc1cccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1OC	EMOLS-id_324870666	423.485	FFAXSQHRENNWKW-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133468
COc1cccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1OC	EMOLS-id_324876812	423.485	MMSQXKGYIQBMCR-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133469
COc1cccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)c1OC	EMOLS-id_324878863	423.485	RTXATNQLJIRCND-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133470
COc1cccc(OCc2nc3s/c(=Cc4cccc(OC(C)C)c4)/c(=O)n3n2)c1	EMOLS-id_324875269	423.485	VAIYNGAWGSNOJM-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133471
COc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1OC	ZINC22_9131328,PC-id_40945280,CoCoCo_5124719	423.485	AKYGGMKDBXWNLO-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133472
COc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc23)cc1OC	ZINC22_9131329,CoCoCo_5124718,PC-id_40945281	423.485	AKYGGMKDBXWNLO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133473
COc1ccc(OCCCc2nc3s/c(=Cc4ccccc4OC)/c(=O)n3n2)cc1	EMOLS-id_324892161	423.485	IEUXCKLLRCPYHE-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133474
COc1ccc(OCCCc2nc3s/c(=Cc4cc(C)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324894213	423.485	YDQINTUVYFWFGX-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133475
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324893185	423.485	MHULAEAOFPUEGJ-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133476
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(OC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324890624	423.485	VVRWFIFYGYQHGV-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133477
COc1ccc(OC)c(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1	EMOLS-id_324851960	423.485	RBZVUZXATLPOPY-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133478
COc1ccc(OC)c(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)c1	EMOLS-id_324871178	423.485	WAUAIUAFOGHQKE-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133479
COc1ccc(OC)c(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)c1	EMOLS-id_324877324	423.485	SKUHMOYFMKRDTD-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133480
COc1ccc(OC)c(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)c1	EMOLS-id_324879375	423.485	SWVASDHEOCIUPG-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133481
COc1cc(OC)ccc1N=C(C1CCc2c1nc(s2)N=C(c1ccccc1)O)O	Chemmine_45413,PC-id_16947116,EMOLS-id_12346293,MCULE-7699901805	423.485	GHKQTFZDQJMKRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133482
COc1cc(OC)ccc1NC(=O)[C@@H]1CCc2c1nc(s2)NC(=O)c1ccccc1	CoCoCo_5124721,PC-id_40945282	423.485	GHKQTFZDQJMKRH-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133483
COc1cc(OC)ccc1NC(=O)[C@H]1CCc2c1nc(s2)NC(=O)c1ccccc1	PC-id_40945283,CoCoCo_5124720	423.485	GHKQTFZDQJMKRH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133484
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3573387069	423.485	MTEWFZOULPCTRX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133485
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)CCCOc1ccc(OC)cc1	MCULE-6937150830	423.485	VVRWFIFYGYQHGV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133486
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCCOc1ccc(OC)cc1	MCULE-9713050570	423.485	IEUXCKLLRCPYHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133487
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2523771927	423.485	KMJKTBOSSSUOME-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133488
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)COc1ccc(cc1)OCC	MCULE-1753699683	423.485	ISRXUEWMHREJOL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133489
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CCCOc1ccccc1	MCULE-3138915533	423.485	RBZVUZXATLPOPY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133490
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1ccc(cc1)CC	MCULE-8069795380	423.485	DVUAQDBKFWXNFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133491
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1c(C)cccc1C	MCULE-1952004563	423.485	WAUAIUAFOGHQKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133492
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1cc(C)ccc1C	MCULE-2498233360	423.485	SWVASDHEOCIUPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133493
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1cccc(C)c1C	MCULE-2635263558	423.485	SKUHMOYFMKRDTD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133494
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1cccc(CC)c1	MCULE-4357240777	423.485	HUESMDWMLVJDIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133495
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-8986875522	423.485	MEJCKPYIDUAOMB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133496
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)CCCOc1ccc(OC)cc1	MCULE-3153609383	423.485	YDQINTUVYFWFGX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133497
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-2412723822	423.485	MNSYHDCYYNQBAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133498
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-2766531563	423.485	MHULAEAOFPUEGJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133499
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCCOc1ccccc1	MCULE-3522969668	423.485	HBOVJUFKHGDVPI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133500
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1ccc(cc1)CC	MCULE-4362029363	423.485	DJEPCADPKOOTRC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133501
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1c(C)cccc1C	MCULE-6550324994	423.485	FFAXSQHRENNWKW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133502
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1cc(C)ccc1C	MCULE-8289452630	423.485	RTXATNQLJIRCND-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133503
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1cccc(C)c1C	MCULE-9809056344	423.485	MMSQXKGYIQBMCR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133504
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1cccc(CC)c1	MCULE-9987459218	423.485	KUELBKVBWXEXQG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133505
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2475889593	423.485	WFNODBIWEDQOOA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133506
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-2611504225	423.485	RCTYLVCNIWVHRP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133507
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCCOc1ccccc1	MCULE-4625326219	423.485	XKEWDIQQAXTIRQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133508
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1ccc(cc1)CC	MCULE-3680373212	423.485	LZZPVIJGXPUBPW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133509
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1cc(C)ccc1C	MCULE-3188791307	423.485	VHAHWOVAMFVSFX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133510
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1c(C)cccc1C	MCULE-5888457269	423.485	HBBINVVIRWMYAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133511
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1cccc(C)c1C	MCULE-9557467623	423.485	VPWFUTSYUNLUGA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133512
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1cccc(CC)c1	MCULE-3520423840	423.485	MNUCNYXLTTWSKS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133513
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1ccccc1OC	MCULE-3647799282	423.485	NPGXFGXUEVQTNS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133514
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1ccccc1OC	MCULE-6144505565	423.485	CJPJHGHZJDRSDT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133515
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1cccc(OC)c1	MCULE-7766153118	423.485	VAIYNGAWGSNOJM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133516
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1cccc(OC)c1	MCULE-9450280268	423.485	KRQVEQJGRANLOV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133517
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-2521878270	423.485	CJLDHTSSJLLYJN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133518
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1ccccc1	MCULE-9042874479	423.485	OCRMZNWXTZZGMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133519
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)CCOc1ccccc1	MCULE-8515646576	423.485	DSMYNUBIKDYQFG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133520
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1ccc(cc1)C	MCULE-1073685320	423.485	ALTPFVUXZJBFJA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133521
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1ccccc1	MCULE-7465328899	423.485	MOAOIAHRPMUACL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133522
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CCCOc1ccccc1	MCULE-1873109296	423.485	PYGPBZVOXNUWBK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133523
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1ccc(cc1)CC	MCULE-3140979017	423.485	HVEVSIUYYZUEPY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133524
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1c(C)cccc1C	MCULE-1333177035	423.485	BMVLFQBDLLLUTP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133525
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1cc(C)ccc1C	MCULE-2289048540	423.485	LYGQIEDDGATSDS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133526
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1cccc(C)c1C	MCULE-7039599378	423.485	NCRMUAMCDXOGOB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133527
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1cccc(CC)c1	MCULE-5228035661	423.485	UDLJLKMYJNLFRB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133528
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)CCOc1ccccc1	MCULE-9654787261	423.485	RXQQCAILMUQUIP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133529
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1ccc(cc1)C	MCULE-8814947256	423.485	MKCFCELXRKTYHX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133530
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CCCOc1ccccc1	MCULE-4662280245	423.485	CJEIEVHUHPSQAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133531
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1ccc(cc1)CC	MCULE-7317450127	423.485	BFLLGWFBYBJDJH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133532
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1c(C)cccc1C	MCULE-1146844858	423.485	SZSNDGUNZDBETG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133533
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1cc(C)ccc1C	MCULE-7307140800	423.485	HXAMJCGCKRWGKO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133534
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1cccc(C)c1C	MCULE-8118287951	423.485	QYXPPTARYVXEHW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133535
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1cccc(CC)c1	MCULE-5340943219	423.485	ZIXCSLYYUQPEFA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133536
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)CCc1ccccc1	MCULE-8618184500	423.485	QOWVWEUTADJLHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133537
s1c2CCCc2cc1C(=O)OCC(=O)Nc1n(c(c(c1C#N)C)C)Cc1occc1	PC-id_46821595	423.485	ACERNOIJUPNAGE-UHFFFAOYSA-N	00000010111000000000000010000000000000000000000000000000	25-01-133538
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(n2cccc2)c(cc1)C)C(=O)N	PC-id_46694548	423.485	HFSCVONHFSBXME-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-133539
s1c2CCCc2c(c1NC(=O)COC(=O)C1CN(C(=O)C1)Cc1ccccc1)C#N	PC-id_3677550	423.485	YOQINUUOKYYPJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133540
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_16947117	423.485	LLKNFAJGCKBEEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133541
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(OC)cc1	PC-id_16947887	423.485	HQUCVIFYKDJWDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133542
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(OC)ccc1	PC-id_16947886	423.485	JHAPBVIIQZCCFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133543
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(OC)cccc1	PC-id_16947885	423.485	ZRVMRFUUUKAQHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133544
s1c2CCCc2nc1NC(=O)c1ccc(OCC(=O)Nc2cc(OC)ccc2)cc1	PC-id_33039775	423.485	DBYWMTDSRRWBKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133545
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccccc1	PC-id_16948029	423.485	FJBKVQKNFPNCIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133546
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)C=Cc1ccccc1	MCULE-7760621398	423.486	NDQCLWPNMYKVLF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133547
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(C(C1)C(C)(C)C)C(=O)[O-]	SCHEMBL6010750,PC-id_69635287	423.487	AHQMQHNWOUHFGK-UHFFFAOYSA-M	00000010100010000001000010000000000000000000000000000000	25-01-133548
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN([C@H](C1)C(C)(C)C)C(=O)[O-]	PC-id_69635297,SCHEMBL6010759	423.487	AHQMQHNWOUHFGK-MJTSIZKDSA-M	00000010100010000001000010000000000000000000000000000000	25-01-133549
c1(NC(=O)COc2cn(c(cc2=O)C)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331631555,MCULE-3786184376	423.488	ILJLBRUSSOONDA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-133550
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1)CCC(=O)c1cccs1	PC-id_68439566,SCHEMBL2915321	423.488	JBBDUCFGDCNBRT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-133551
c1(NC(=O)CNc2ccc(c(c2)n2cnnn2)OC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320608179,MCULE-5746158258	423.491	QPWGBNOAJCXAJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133552
c1(NC(=O)CNc2ccc(c(c2)n2cnnn2)OCCC)sc2c(CCC2)c1C#N	EMOLS-id_320652975,MCULE-5315626273	423.491	BWCQBTIUZJOHRT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133553
c1(NC(=O)CNc2ccc(c(OCCC)c2)n2cnnn2)sc2c(CCC2)c1C#N	EMOLS-id_320627898,MCULE-5616494759	423.491	MUFGYZZITQXUQF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133554
s1c(nn2c1nnc2COc1ccccc1)CCNC(=O)c1nn(c2CCCc12)C	PC-id_84467413	423.491	HYOAWQKBMMALQM-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-133555
c12c(CCC1C(=O)NCCCc1ccccc1)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947230,MCULE-9391581033,EMOLS-id_12346521	423.503	CAMFIDGOZZUDIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133556
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCCCc1ccccc1)c1ccc(F)cc1	CoCoCo_5124767,PC-id_40945481,ZINC22_9131548	423.503	CAMFIDGOZZUDIN-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133557
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCCCc1ccccc1)c1ccc(F)cc1	ZINC22_9131547,PC-id_40945480,CoCoCo_5124766	423.503	CAMFIDGOZZUDIN-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133558
s1c2CCCc2cc1C(=O)OCc1c(c(sc1C(=O)OCC)N)C(=O)OCC	PC-id_18289203	423.503	DFTFKENECLRDRI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-133559
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C(=O)OC	PC-id_41323888	423.503	DMAMMBWHBMYDDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133560
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_44009278	423.503	VAUIXCWFHWOVEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133561
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(cc(cc1C)C)C	PC-id_16947288	423.503	YSJYOHHEPVVGKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133562
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1	PC-id_16947242	423.503	IORSLOYBYUHYIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133563
CCOc1cc(ccc1OCC)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109353	423.505	AOLDHEGBQAGHTA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133564
COC1(C)n2n(C(C1(Cc1ccccc1)Cc1ccccc1)(C)OC)c(=O)n(c2=O)C	PC-id_101986884	423.505	AIJMIFUGNZTQCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133565
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_74534261	423.505	ADBCIAIEDYZEHA-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133566
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_74534263	423.505	DAKDRZPZWWASAW-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133567
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_74534264	423.505	IXKKCWRYIPXVKD-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133568
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_74534265	423.505	NWDRGFDDZIYMNZ-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133569
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27525997	423.505	ADBCIAIEDYZEHA-CVEARBPZSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133570
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27525999	423.505	ADBCIAIEDYZEHA-HOTGVXAUSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133571
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27526001	423.505	ADBCIAIEDYZEHA-HZPDHXFCSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133572
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27526003	423.505	ADBCIAIEDYZEHA-JKSUJKDBSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133573
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27526013	423.505	DAKDRZPZWWASAW-CVEARBPZSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133574
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27526015	423.505	DAKDRZPZWWASAW-HOTGVXAUSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133575
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27526017	423.505	DAKDRZPZWWASAW-HZPDHXFCSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133576
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27526019	423.505	DAKDRZPZWWASAW-JKSUJKDBSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133577
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27526021	423.505	IXKKCWRYIPXVKD-CABCVRRESA-M	00000010100011110000000010000000000000000000000000000000	25-01-133578
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27526023	423.505	IXKKCWRYIPXVKD-GJZGRUSLSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133579
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27526025	423.505	IXKKCWRYIPXVKD-HUUCEWRRSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133580
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27526027	423.505	IXKKCWRYIPXVKD-LSDHHAIUSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133581
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_27526029	423.505	NWDRGFDDZIYMNZ-JKSUJKDBSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133582
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_27526031	423.505	NWDRGFDDZIYMNZ-HOTGVXAUSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133583
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_27526033	423.505	NWDRGFDDZIYMNZ-HZPDHXFCSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133584
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_27526035	423.505	NWDRGFDDZIYMNZ-CVEARBPZSA-M	00000010100011110000000010000000000000000000000000000000	25-01-133585
CC(C1N(Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C(=O)O)C	PC-id_117680241,SCHEMBL16213578	423.506	UJCSJSLCHRTODT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133586
CC([C@@H]1N(Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C(=O)O)C	PC-id_117680239,SCHEMBL16213576	423.506	UJCSJSLCHRTODT-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133587
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1CCOCC1	CoCoCo_4164097,PC-id_16328603,MCULE-8737466721,ZINC22_9728844,EMOLS-id_11764827	423.506	OOTXTXIUZDJDKR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133588
COC(=O)c1c(NC(=O)CC2SC(=NC2=O)N2CCOCC2)sc2c1CCC2	PC-id_42650105,STOCK6S-61651,EMOLS-id_17658618,MCULE-9407626017	423.506	QBMYJSINVVBNEY-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-133589
COC(=O)c1c(NC(=O)C[C@@H]2SC(=NC2=O)N2CCOCC2)sc2c1CCC2	PC-id_42570808,CoCoCo_5229765,ZINC22_12391046	423.506	QBMYJSINVVBNEY-LBPRGKRZSA-N	00000011100010000001100010000000000000000000000000000000	25-01-133590
COC(=O)c1c(NC(=O)C[C@H]2SC(=NC2=O)N2CCOCC2)sc2c1CCC2	ZINC22_12391047,PC-id_42570809,CoCoCo_5229764	423.506	QBMYJSINVVBNEY-GFCCVEGCSA-N	00000011100010000001100010000000000000000000000000000000	25-01-133591
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)Oc1ccc(cc1)N	MCULE-1340978070,EMOLS-id_328220542	423.506	DJMPRGKLHOHBSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133592
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCCOC)cc1	PC-id_33820975	423.506	QYCOJLFHFDQSQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133593
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(nsc1NC)C)C(=O)OCC	PC-id_55430483	423.506	QPJJLNOQGBMAIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133594
CCCCCCCCC1CN(CCN1C(=O)O)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C	PC-id_89437150	423.507	UUMAHFJBWBHEFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133595
CCCCCCCCOC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5539762,PC-id_69480629	423.507	OULHZVDORVORHL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133596
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-8475746451,EMOLS-id_5582426,ZINC22_9714895,PC-id_16799821,CoCoCo_5153043,Chemmine_46878	423.508	KXKDASNCVXQQGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133597
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C#N	ZINC22_9714744,PC-id_16799816,MCULE-3228462235,EMOLS-id_5582272,CoCoCo_5152939	423.508	WIIVBFIMXLXRII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133598
c1(NC(=O)COc2ccc(cc2)NC(=O)c2cccs2)sc2c(CCC2)c1C#N	EMOLS-id_323168723,MCULE-1569240013	423.508	CKRJCOANKGSTGZ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-133599
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccs2)sc2c(CCC2)c1C#N	MCULE-2340048070,EMOLS-id_323176224	423.508	INLIGANYKXSDRP-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-133600
C=CCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OC	EMOLS-id_45970318,ZINC22_27022108	423.508	GOSNOJYUTSLHIS-DNISPXHZSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133601
n12nc(nc1sc(=Cc1cc(C)c(c(C)c1)OC(=O)C)c2=O)C=Cc1cccs1	MCULE-8932882159	423.508	BFKGQYISUGBNCJ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133602
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC=C)c2=O)C=Cc1cccs1	MCULE-1132495220	423.508	GOSNOJYUTSLHIS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133603
C1Cn2c(c(cn2)NC(=O)CNC(c2ccccc2)(c2ccccc2)c2ccccc2)N1	PC-id_136409333,SCHEMBL4202443	423.51	UCBBYUAHXGPKFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133604
Cc1csc2nc(C)c(/C=c/3sc4nc(CCOc5ccccc5)nn4c3=O)n12	EMOLS-id_324845821	423.511	QGYAPKFQDBSUEG-YBEGLDIGSA-N	00000000100000110001000110000000000000000000000000000000	25-01-133605
Cc1csc2nc(C)c(/C=c/3sc4nc(COc5ccc(C)cc5)nn4c3=O)n12	EMOLS-id_324868101	423.511	XMZDSYPMXQISQR-PXNMLYILSA-N	00000000100000110001000110000000000000000000000000000000	25-01-133606
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCOc1ccccc1	MCULE-7451247307	423.511	QGYAPKFQDBSUEG-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-133607
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1ccc(cc1)C	MCULE-1617991002	423.511	XMZDSYPMXQISQR-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-133608
O=C(N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1)N1CCN(C(C1)C)CC1CC1	PC-id_59508257,SCHEMBL6378185	423.511	BPNUGBHQLMNSOD-UHFFFAOYSA-N	00100010100010101001000010000000000000000000000000000000	25-01-133609
c1(NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387999,MCULE-4359263993	423.528	UHVAKAASGNFXNF-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-133610
c1(NC(=O)C(c2ccccc2)c2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-2270431974,ZINC22_4088611,CoCoCo_4982173,EMOLS-id_5438349,PC-id_4166400	423.528	WTCAWZIZXAJIAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133611
c1(NC(=O)COc2ccc(cc2)C(=O)NC2CCCCC2)sc2c(CCC2)c1C#N	PC-id_1093543,BAS-09521454,ZINC22_814820,GD-id_ZINC00814820,MCULE-1275356077,SPECS-id_AS-871/42845904,ChEMBL-DNDi_CHEMBL7911784,CoCoCo_380286,EMOLS-id_1512905	423.528	LHTWEJKQEQPJSO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133612
c1(NC(=O)COc2cccc(c2)NC(=O)C2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_323159076,MCULE-9057305385	423.528	YBSWEPJSZJNLPG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133613
c1(NC(=O)COc2ccc(cc2)NC(=O)C2CCCCC2)sc2c(CCC2)c1C#N	MCULE-4910759394,EMOLS-id_323216078	423.528	BNPKTVXXVIMWNY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133614
CC(C)OC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1C	MCULE-7836981465,EMOLS-id_328223861	423.528	TYXZKHKIUNXHSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133615
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N	MCULE-7418455447,EMOLS-id_328214904	423.528	BMPJNSCEJBSIAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133616
s1c2CCCc2cc1C(=O)OCC(=O)Nc1n(nc(C(C)(C)C)c1)c1ccccc1	PC-id_3889509	423.528	YXAVYUQFOYLZMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133617
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)Cc2ccc(cc2)c2ccccc2)C1	PC-id_7484602	423.528	BQIBLILZZFJQOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133618
Cc1ccccc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324833010	423.529	LFJVOCFGFBZXCZ-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133619
Cc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324830449	423.529	WNYCRLGCEATNLT-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133620
Cc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324831986	423.529	HKXWTXICJKGNDP-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133621
CCc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324822007	423.529	BKBKQBVMCQFTLM-XLNRJJMWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133622
n12c(=O)c(=Cc3ccc(cc3)CC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-2191891001	423.529	BKBKQBVMCQFTLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133623
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-1919461087	423.529	WNYCRLGCEATNLT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133624
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-8617580859	423.529	LFJVOCFGFBZXCZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133625
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-5655601012	423.529	HKXWTXICJKGNDP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133626
N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)sc2c1CCC2	EMOLS-id_20386900,PC-id_27261862,ZINC22_16651181,CoCoCo_1106583,MCULE-1637109992	423.53	YTGIFYCYORKCJL-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-133627
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(Cc1cnn(c1)c1ccccc1)C	MCULE-9906040873,PC-id_16368040,EMOLS-id_3646102	423.531	LCBIFJDIOXIIOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133628
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1cnn(c2ccccc2)c1	CoCoCo_4234652,ZINC22_9884310,PC-id_41259795,CoCoCo_4234653	423.531	LCBIFJDIOXIIOL-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133629
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1cnn(c2ccccc2)c1	CoCoCo_4234655,ZINC22_9884312,CoCoCo_4234654,PC-id_41259797	423.531	LCBIFJDIOXIIOL-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133630
CN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1cnn(Cc2ccccc2)c1	CoCoCo_4244948,MCULE-2486921078,EMOLS-id_11770307,ZINC22_8156541,CoCoCo_4244949,PC-id_9291848	423.531	SFMNYVZXTNWUBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133631
N#Cc1c(NC(=O)CCN2CCN(CC2)c2ccc(cc2)C(=O)N)sc2c1CCC2	PC-id_86969670	423.531	GHOJTZOTUVUXGE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133632
s1c2c(CCC2)c(c1NC(=O)CN1CCCN(CC1)c1c(cccc1)C#N)C(=O)N	PC-id_60510901	423.531	WSVYXIUQOBZOGD-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-133633
c1(NC(=O)CS(=O)CC(=O)Nc2nnc(CC)s2)sc2c(CCC2)c1C#N	MCULE-8274465284,EMOLS-id_320644085	423.533	NQIUKTRVQLPEEM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133634
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc([N+](=O)[O-])c1	PC-id_45684219	423.828	IUPLBTDQOKHTGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133673
c1(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCC2)c1C(=O)OC	SPECS-id_AK-968/40730054,EMOLS-id_2197492,MCULE-4395598441,PC-id_2931668,TIMTEC138070	423.548	DZTBHGVUIZMKOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133635
CC1CN(CCN1C(=O)OC(C)(C)C)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328343184,MCULE-1410441989	423.548	BYSHXWQFXSGUQA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133636
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9396357024,EMOLS-id_328214908	423.548	KIXXHANAUZNANC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133637
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5436286144,EMOLS-id_328338331	423.548	CTDVCFSMXPIZOY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133638
COc1ccc(cc1)CN1C(C(=O)NC2CCC(CC2)C)c2c(C1=O)c(n(c2C)C)C	CHEMBL1421185,ChEMBL-DNDi_CHEMBL1421185,PC-id_4057008	423.548	XNJQTBODASXSKM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133639
COc1ccc(cc1)CN1[C@H](C(=O)N[C@@H]2CC[C@@H](CC2)C)c2c(C1=O)c(n(c2C)C)C	CoCoCo_2684412	423.548	XNJQTBODASXSKM-YWBKXGLFSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133640
COc1ccc(cc1)CN1[C@H](C(=O)N[C@@H]2CC[C@H](CC2)C)c2c(C1=O)c(n(c2C)C)C	CoCoCo_2684413	423.548	XNJQTBODASXSKM-FOMLIJIXSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133641
COc1ccc(cc1)CN1[C@@H](C(=O)N[C@@H]2CC[C@@H](CC2)C)c2c(C1=O)c(n(c2C)C)C	CoCoCo_2684414	423.548	XNJQTBODASXSKM-BIFSNJIPSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133642
COc1ccc(cc1)CN1[C@@H](C(=O)N[C@@H]2CC[C@H](CC2)C)c2c(C1=O)c(n(c2C)C)C	CoCoCo_2684415	423.548	XNJQTBODASXSKM-NFHUAXAMSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133643
COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCC2	ZINC22_408576417	423.548	UNJMJFVBZNMGKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133644
COC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2	ZINC22_2103259,PC-id_1758472,CoCoCo_899294	423.548	DZTBHGVUIZMKOR-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133645
COC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2	ZINC22_2103261,PC-id_1758475,CoCoCo_899295	423.548	DZTBHGVUIZMKOR-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133646
OC1(CCN(CC1)CCN1C(=O)c2c(c(n(c2C)CCCC)C)C1=O)c1ccccc1	PC-id_24848843	423.548	MAKJHIPEWJLUGV-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-133647
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)C(=O)C1CCCO1	PC-id_2955484,EMOLS-id_2317479,Chemmine_18400,TIMTEC226456,MCULE-3917403026	423.549	IULKJIZJWOSUOU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133648
COC(=O)c1c(NC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)sc2c1CCC2	PC-id_1296608,ZINC22_1119673,CoCoCo_993658	423.549	IULKJIZJWOSUOU-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133649
COC(=O)c1c(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)sc2c1CCC2	ZINC22_1119672,PC-id_1296607,CoCoCo_993659	423.549	IULKJIZJWOSUOU-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133650
COC(=O)c1sccc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110049	423.549	HSIAHZHMRLVAKX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-133651
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)CC3CCN(CC3)C(C)C)Cc12	EMOLS-id_316321591,MCULE-7999801997	423.551	HGILUUXYYVNCDO-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133652
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)CC3CCN(CC3)C(C)C)Cc12	MCULE-7283312507	423.551	HGILUUXYYVNCDO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133653
c1(NC(=S)Nc2ccc(cc2)Cc2ccncc2)sc2c(CCC2)c1C(=O)OC	ZINC22_17093667,PC-id_17375688,CoCoCo_6811100,TIMTEC156626,EMOLS-id_4106767,MCULE-6156049004	423.551	FUIHDMPMBIBCHJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-133654
CCCCN(c1ccc(c(c1)C)/C=c
/c(O)nn2c1nnc2/C=C(OC)/C)CCCC	SCHEMBL12598120	423.551	FMNKCGYNFPBZBU-TXWVUNSISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133655
O=C1N(CCCN2CCN(CC2)c2ncccc2)C(=O)c2c1c(n(c2C)CCCC)C	PC-id_21154914	423.551	CKQSXRCKPMCKNU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-133656
O=c1[nH]n2c(nnc2/C=C(OC)/C)c1=Cc1c(cc(N(CCCC)CCCC)cc1)C	PC-id_68323349	423.551	FMNKCGYNFPBZBU-BIRGEUSZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133657
O=c1[nH]n2c(nnc2C=C(OC)C)c1=Cc1c(cc(N(CCCC)CCCC)cc1)C	PC-id_77479203	423.551	FMNKCGYNFPBZBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133658
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(SC)ccc1	PC-id_16947633	423.551	JTZWUWWVLFJICB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133659
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(SC)cccc1	PC-id_16947575	423.551	ZXPZCEXQQZELGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133660
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)C(C)(C)C)C(=O)OCC	PC-id_7876271	423.553	DCNUQYGJPBPQGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133661
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_16316069,ZINC22_8860896,EMOLS-id_11746201,CoCoCo_2880367,MCULE-3683090980	423.554	AMZGVQWBJUNSGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133662
COC/C=CC1=CC(n2c1cnc2)CC(C1CCC(CC1)(C)C)ONS(=O)(=O)C	PC-id_118931110,SCHEMBL17574196	423.569	DBJUBJHOLVTSTC-WAYWQWQTSA-N	00000011100010000001000010000000000000000000000000000000	25-01-133663
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)CC=C)C(=O)c1ccccc1C	ZINC22_20150857,EMOLS-id_6627497,ASN-06262773,PC-id_3219022,MCULE-1148295965	423.571	LLCFSPXUZSGDHA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133664
CC(Sc1ccc(cc1)CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109454	423.571	YSSLFGOSTWOZMU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133665
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)Cc1ccc(OC)cc1)C#N	PC-id_56311424	423.571	JRYUVRGNAUKZIQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133666
CCCC(/C(=C(/c1c(C)sc2c1CCC2)c1ccc(cc1)NC)/C(=C)C)C(=O)OC	PC-id_144088380	423.611	QGNUBUFQIQLFOH-WJTDDFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133667
C/C(=CC=CC(=CC(=O)n1sc2c(c1=O)CCC2)C)/C=C/C1=C(C)CCCC1(C)C	SCHEMBL10754569	423.611	HVOMHCJAHGLYPN-MXCVQEFNSA-N	00000010100011000001000010000000000000000000000000000000	25-01-133668
s1n(c(=O)c2CCCc12)C(=O)C=C(C=CC=C(C=CC1=C(CCCC1(C)C)C)C)C	PC-id_53898691	423.611	HVOMHCJAHGLYPN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-133669
Brc1sc(S(=O)(=O)Nc2sc3c(CCC3)c2C#N)cc1Cl	PC-id_80578126	423.756	GRFVFTYIRMQFHT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-133670
Clc1c(F)c(C(=O)Nc2sc3c(C(OC3)C)c2C(=O)O)c(cc1)C(F)(F)F	SCHEMBL2163131,PC-id_67300967	423.767	ZJIOSHXLXBSPNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133671
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c([N+](=O)[O-])cc1	PC-id_5234552	423.828	OCHPYDLWQDLPJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133672
Clc1c([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_2622077	423.828	HEOYYEAAEJDETI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133674
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)Cl)C(=O)OC	EMOLS-id_1088846,BAS-01293174,Chemmine_7017,ChEMBL-DNDi_CHEMBL2798-0043,SPECS-id_AF-399/13428016,PC-id_2787426,STOCK2S-63251,MCULE-6121399348	423.867	OIOHHOAQFKVFKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133675
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccccc1Cl)C(=O)OC	MCULE-8742900137,PC-id_2789276,SPECS-id_AT-225/NB59940,BAS-01292132,EMOLS-id_603597,STOCK2S-62007	423.867	MXVSRYBLGRTGGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133676
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cccc(Cl)c1)C(=O)OC	EMOLS-id_1327866,MCULE-8537120167,PC-id_2789277,STOCK2S-59870,SPECS-id_AF-399/13428150,BAS-01292133	423.867	XSBCCXGFXYBMAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133677
Clc1ccc(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_35686610	423.867	WLMHJNCNZBEQTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133678
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OC)cc1	PC-id_16505331	423.867	GDVFJSAZXRQADG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133679
Clc1cc(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_41073015	423.867	ZLHJPRCIZLCCFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133680
Clc1c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_41465483	423.867	UMPOSONMAWQVOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133681
COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1[C@H](C(=O)OC)CC2	ZINC22_622369,PC-id_978527,CoCoCo_187542	423.867	MXVSRYBLGRTGGF-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133682
COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_622371,PC-id_978529,CoCoCo_187541	423.867	MXVSRYBLGRTGGF-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-133683
COC(=O)c1c(NC(=O)COc2cccc(Cl)c2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1051254,CoCoCo_187544,ZINC22_729950	423.867	XSBCCXGFXYBMAU-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133684
COC(=O)c1c(NC(=O)COc2cccc(Cl)c2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1051255,ZINC22_729951,CoCoCo_187543	423.867	XSBCCXGFXYBMAU-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133685
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_187641,PC-id_1051225,ZINC22_729914	423.867	OIOHHOAQFKVFKF-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133686
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_729915,CoCoCo_187642,PC-id_1051226	423.867	OIOHHOAQFKVFKF-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133687
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(OC)cc1N	PC-id_51550424	423.871	IDZOJCUUAWXCLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133688
CC(=O)Oc1cccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_27022615	423.872	ZBYDTZIYPSSHQJ-WKZRCPIQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133689
CC(=O)Oc1cccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_45966189,ZINC22_16735173	423.872	ZBYDTZIYPSSHQJ-PHDJUTGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133690
n12nc(nc1sc(=Cc1ccc(cc1)C(=O)OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-3214404130	423.872	KNINEODGRCQVLO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133691
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-3769477347	423.872	ZBYDTZIYPSSHQJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133692
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-5447014415	423.872	GEPIJGCEPWDGLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133693
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)c([N+](=O)[O-])cc1	PC-id_44052900	423.874	DSYOVRRIENUCIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133694
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc([N+](=O)[O-])cc1	PC-id_44052901	423.874	ZZAMTENTRCSODT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133695
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc1	PC-id_44052902	423.874	FXYVZAZYWLSWDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133696
Clc1cc(ccc1F)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109617	423.889	DFJIJWGMPUSHKT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133697
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)C#C)C)Cl	SCHEMBL20252954,PC-id_134599053	423.892	GJEZFKNOICWICG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-133698
Clc1c(C(=O)NC(CC(=O)NCc2n3CCCc3nn2)c2ccccc2)cccc1	MCULE-2105316131,EMOLS-id_44026655,PC-id_45863211	423.895	BNDIRSNURJFFQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133699
O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1nnc2n1CCC2	PC-id_51928973,ZINC22_40025397,CoCoCo_4474353	423.895	BNDIRSNURJFFQW-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133700
O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1nnc2n1CCC2	ZINC22_40025395,CoCoCo_4474354,PC-id_51928972	423.895	BNDIRSNURJFFQW-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133701
CCCOc1ccccc1/C=c
/sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_27022641	423.915	JMCNZOTZDHXEKE-GKZQGBICSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133702
CCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O	EMOLS-id_45966191,ZINC22_16735192	423.915	JMCNZOTZDHXEKE-FRWQMALMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133703
n12nc(nc1sc(=Cc1ccc(cc1)OCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-6974179673	423.915	BMJHEQMKYYFULO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133704
n12nc(nc1sc(=Cc1ccccc1OCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-9360766492	423.915	JMCNZOTZDHXEKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133705
Clc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52547283	423.917	BTHUNCACOMXLSZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133706
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1Cl	PC-id_4504708,ZINC22_16692366	423.937	DBQFGYJAQCIBLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133707
COc1ccc(cc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cl	PC-id_92110079	423.957	RTVZOBOWSFCOEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133708
Clc1ccc(SCCCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_41272237	423.977	NXJBCZAQNKBZII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133709
CCN(CC)S(=O)(=O)c1ccc(Cl)c(CNc2sc3c(c2C#N)CCC3)c1	PC-id_44323940,CHEMBL315917,BindingDB_PC-id_44323940	423.98	JETYGILGMHIYFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133710
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C(=NC=N)N	PC-id_164872322	424.072	WPTDLJCWGMHQAH-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133711
CC1(C2=C(CN1CC3=CC(=CC=C3)Br)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164616319	424.09	PDGBZTQXNAHBSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133712
C1C2=CN(N=C2CN1C(=O)C(C3=C(C=CC=N3)F)O)SC4=CN(N=C4)CC(F)F	PC-id_164872023	424.093	CLCVHHMMZNILJY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-133713
C1C2=CN(N=C2CN1C(=O)C(C3=C(C=CC=N3)F)O)SC4=NN(C=C4)CC(F)F	PC-id_164872324	424.093	FKAHBVDTNPTVLN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-133714
C1[C@H](Oc2nc(cn12)[N+](=O)[O-])CCn1cc(nn1)COc1ccc(cc1)C(F)(F)F	PC-id_164124247	424.111	YIFIICRFMKKTNG-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133715
CC1(CCCN1C2=C(C=CC(=N2)Cl)C(=O)NS(=O)(=O)C3=CC=[N+]4N3CCC4)C	PC-id_153335467	424.12	MYHLWJXBDXAFIS-UHFFFAOYSA-O	00000010100000101001100010000000000000000000000000000000	25-01-133716
C[N+]1=CC=C2N1CCN2CC3=C(C=C(C=C3Cl)C(=NOC4CCSCC4)N)F	PC-id_154011384	424.137	QXZXMYMJGNEQLI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133717
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C(=O)C(=O)NC4(COC4)C	PC-id_155038516	424.155	POOJOUNBGMBVDF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-133718
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c(Br)cc(cc2F)F)n1	MCULE-8246936667,PC-id_1129758,EMOLS-id_1359731,TIMTEC5195,TIMTEC460227,SPECS-id_AG-690/40697740,CoCoCo_224995,ZINC22_869832,BAS-01939670	424.163	SVCROMVORFHVFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133719
CC[Si](C)(C)C1(CCC1)C(=O)NC2=C3CN(C(C3=NN2C(=O)C)(C)C)C(=O)Cl	PC-id_147021429	424.17	AVUBHJNADXBHLA-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-133720
CCCCCC[N+]1(CC)C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_89414052,SCHEMBL14716585	424.171	UFXUZPCJMPDYCJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133721
CC1CCc2c1c(I)nn2Cc1ccc(cc1F)C(F)(F)F	EMOLS-id_330980086,MCULE-6589870043	424.175	OOAFEDBPRCAXOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133722
CC1CCc2c1c(I)nn2Cc1cccc(c1F)C(F)(F)F	EMOLS-id_330980343,MCULE-5432719217	424.175	PCSFJVVJSCTWOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133723
CC1CCc2c1c(I)nn2Cc1cc(ccc1F)C(F)(F)F	MCULE-5340501893,EMOLS-id_330981111	424.175	BGZAIGJLCFGMGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133724
CC1CCc2c1c(I)nn2Cc1ccc(c(F)c1)C(F)(F)F	EMOLS-id_330980342,MCULE-2714571870	424.175	ZUMFWAAFIDLDQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133725
CC1CCc2c1c(I)nn2Cc1ccc(F)cc1C(F)(F)F	EMOLS-id_330978551,MCULE-4859488669	424.175	JBDMESHCTROOFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133726
CC1CCc2c1c(I)nn2Cc1ccc(F)c(c1)C(F)(F)F	MCULE-9143768826,EMOLS-id_330980599	424.175	PHHHVJJHEXBWGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133727
CC1CCc2c1c(I)nn2Cc1cc(F)ccc1C(F)(F)F	EMOLS-id_330978807,MCULE-1804911879	424.175	KHWAQPJFUZOBBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133728
CC1CCc2c1c(I)nn2Cc1cc(F)cc(c1)C(F)(F)F	MCULE-7031782657,EMOLS-id_330980855	424.175	OSPBYELAQCGYGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133729
CC1CCc2c1c(I)nn2Cc1c(F)cccc1C(F)(F)F	MCULE-9981388057,EMOLS-id_330978295	424.175	WMMGJVKXKXKXIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133730
CC1CCc2nn(Cc3ccc(cc3F)C(F)(F)F)c(I)c12	EMOLS-id_330964146,MCULE-1788247581	424.175	SJJNBNUKBZYMCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133731
CC1CCc2nn(Cc3cc(ccc3F)C(F)(F)F)c(I)c12	MCULE-3329327973,EMOLS-id_330961076	424.175	NTGWDJNQXFRGOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133732
CC1CCc2nn(Cc3cccc(c3F)C(F)(F)F)c(I)c12	MCULE-5136620748,EMOLS-id_330964403	424.175	FOGCXEVVACIVJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133733
CC1CCc2nn(Cc3ccc(c(F)c3)C(F)(F)F)c(I)c12	EMOLS-id_330964402,MCULE-8760461512	424.175	YOOHKVOMCRKPGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133734
CC1CCc2nn(Cc3ccc(F)cc3C(F)(F)F)c(I)c12	MCULE-1425471607,EMOLS-id_330962611	424.175	RKCOTAOZRGDAPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133735
CC1CCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(I)c12	MCULE-4748988844,EMOLS-id_330964659	424.175	QNPDHJYLSCUCQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133736
CC1CCc2nn(Cc3cc(F)ccc3C(F)(F)F)c(I)c12	MCULE-7874368477,EMOLS-id_330962867	424.175	HSXXTDXEYRRTME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133737
CC1CCc2nn(Cc3cc(F)cc(c3)C(F)(F)F)c(I)c12	MCULE-7940409802,EMOLS-id_330964915	424.175	XEIUAKBWEZZSOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133738
CC1CCc2nn(Cc3c(F)cccc3C(F)(F)F)c(I)c12	EMOLS-id_330962355,MCULE-2584549450	424.175	OWTNXNMWYGBBKC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133739
C=Cc1cc2=N/C(=C(/C(F)(F)F)c3cc4c(n3B(F)F)cc(s4)C=C)/C=c2s1	PC-id_139213364	424.218	GFJZMEQJAWMNHE-SFQUDFHCSA-N	00000010100000000000000110000000000000000000000000000000	25-01-133740
CC1(C)OCc2c1n[nH]c2C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)O	ZINC22_2325851506	424.246	ANCCZDODTAGXCH-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133741
CC1(C)OCc2c1n[nH]c2C(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)O	ZINC22_2325851507	424.246	ANCCZDODTAGXCH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133742
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCCCn2nc(C)c(Cl)c2Cl)n1	EMOLS-id_8867413,PC-id_19590958,ZINC22_20607493,MCULE-3054548308	424.248	GTUYDKBPNKZXJX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133743
CCC(C(=O)NCc1nn(C)c(Cl)c1Cl)n1nc(c2CCCc12)C(F)(F)F	MCULE-7079596040,EMOLS-id_8868074,TIMTEC186218,PC-id_19591263	424.248	HBQQKEJATVZLIK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133744
CC[C@@H](C(=O)NCc1nn(C)c(Cl)c1Cl)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092517,ZINC22_20607610	424.248	HBQQKEJATVZLIK-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-133745
CC[C@H](C(=O)NCc1nn(C)c(Cl)c1Cl)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607611,PC-id_29092518	424.248	HBQQKEJATVZLIK-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133746
Brc1cnc(N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)nc1	PC-id_68549546,SCHEMBL3206511	424.253	QAAOBUNKNXPBKX-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-133747
c1(NC(=O)COc2ccc(cc2)I)sc2c(CCC2)c1C#N	MCULE-9293888837,ChEMBL-DNDi_CHEMBL3772-2901,EMOLS-id_6775189,TIMTEC606703,CoCoCo_1754989,PC-id_1520262,ZINC22_1444046	424.256	ZWRPBADILJGPIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133748
COc1c(c(cc(c1)C=Nc1c(c2c(s1)CCC2)C#N)I)O	PC-id_136178324	424.256	PZNFKNUMRXGVFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133749
IC1=CC(=CNc2sc3CCCc3c2C#N)C=C(OC)C1=O	PC-id_50886466	424.256	CVTNMFXESWERCQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-133750
Ic1cc(OCC(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_38924956	424.256	DNFRSEOSQFCZCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133751
Ic1c(OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_38878526	424.256	YLTJXZGZVUZDBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133752
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cnc1	PC-id_4851490	424.269	SOEHGTFCEYIDFK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-133753
Cc1nnc2n1CC[C@]2(C)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC22_1875350636	424.272	VMBUVTHOVAWERR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133754
Cc1nnc2n1CC[C@@]2(C)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC22_1875350637	424.272	VMBUVTHOVAWERR-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133755
CCOC(=O)C1(CCn2c1ccc2C(=O)c1ccc(cc1Cl)Cl)C(=O)OCC	SCHEMBL9689096,PC-id_19914095	424.275	WVYACDFFEPYIJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133756
C1Cc2nnc(n2C1C(=O)N1CCOCC1)CNC(=O)c1c(cc(cc1)Cl)Cl	PC-id_134789940	424.281	GXCYBTNQBWBCKO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133757
Brc1ccc(C(=O)c2n(c3C(CC)C(=O)Oc3c2)Cc2ccccc2)cc1	SCHEMBL7678105,PC-id_15485821	424.287	VYLKJFGWMTUYQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133758
CCCN(CCC)C(C)C1=NN=C2N1N=C(C2=NC3=C(N=C(C=C3)N(CC)CC)C)C	PC-id_148715622	424.306	NYAZSBDKTJRYEB-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-133759
BrC1=CC(=CNc2sc3c(CCC3)c2C(=O)OC)C(=O)C(=C1)OCC	PC-id_6078272	424.309	LKUUSFMUWBLWNW-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-133760
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OCC	PC-id_17073755	424.309	WVSZTYWVJQIZHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133761
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCC)cc1	PC-id_17352885	424.309	RADLOPZSBBHHGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133762
c1(cc(C(=O)Nc2sc3CCCc3c2C(=O)OCC)ccc1OC)Br	EMOLS-id_327902325,MCULE-2862493738	424.309	GCICUGZKMLXZJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133763
c1(N=Cc2cc(Br)cc(OCC)c2O)sc2c(CCC2)c1C(=O)OC	MCULE-4921624389	424.309	YULZUNWXXACKIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133764
c1(NC(=O)c2cc(Br)ccc2OC)sc2c(CCC2)c1C(=O)OCC	MCULE-4079365158,STOCK2S-46438,ZINC22_2302372,EMOLS-id_4443112,PC-id_1921381	424.309	VEGZRVHUQHTLSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133765
c1(NC(=O)C(C)Oc2cccc(Br)c2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_1881380,PC-id_2793438,MCULE-3953934565	424.309	HCISTLSNPGTTOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133766
c1(NC(=O)COc2cccc(Br)c2)sc2c(CCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL4491-0772,MCULE-7032630979,CoCoCo_1798452,EMOLS-id_1859928,ZINC22_729986,SPECS-id_AF-399/13567191,PC-id_1051266	424.309	FPONUOCMGUYHAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133767
c1(NC(=O)COc2ccc(cc2Br)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_603697,CoCoCo_724098,SPECS-id_AF-399/13428287,MCULE-9415972966,ZINC22_622422,ChEMBL-DNDi_CHEMBL2798-1122,TIMTEC521934,SPECS-id_AT-225/NB59990,PC-id_978573	424.309	WFWCAQTYMMBUTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133768
c1(NC(=O)COc2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1088686,ChEMBL-DNDi_CHEMBL1683-0635,PC-id_1112467,ZINC22_846891,MCULE-1934712957,BAS-00570344,CoCoCo_96719	424.309	HFPNNIHFLFXMGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133769
c1(NC(=O)COc2ccccc2Br)sc2c(CCC2)c1C(=O)OCC	PC-id_1561570,MCULE-4873961779,EMOLS-id_1858432,ZINC22_1768751,ChEMBL-DNDi_CHEMBL3643-3454,CoCoCo_767501	424.309	MRDLKEDODBOCFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133770
CCOc1cc(Br)cc(c1O)/C=Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_6709124	424.309	YULZUNWXXACKIX-UKWGHVSLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133771
S1Cc2c(nn(c2NC(=O)c2ccc(F)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053762	424.491	FSVCDVQJHRMFQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133906
CCOc1cc(Br)cc(/C=N/c2sc3c(c2C(=O)OC)CCC3)c1O	TIMTEC581550,CoCoCo_6709123,EMOLS-id_46408527,ZINC22_4150752,PC-id_135647062	424.309	YULZUNWXXACKIX-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133772
COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Br)c2)sc2c1CCC2	PC-id_1191011,ZINC22_1783221,CoCoCo_6266859	424.309	HCISTLSNPGTTOT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133773
COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Br)c2)sc2c1CCC2	ZINC22_954550,CoCoCo_6266860,PC-id_1572997	424.309	HCISTLSNPGTTOT-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-133774
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OC)n(C)nc2CSCc12	MCULE-6129455286	424.312	GJPKFDIGIXVZRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133775
CCC(CC)c1nc2s/c(=Cc3cc(Br)c(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324851438	424.312	BPBGJWBVKKPFSO-JYRVWZFOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133776
COc1cc(/C=C/C(=O)Nc2c3CSCc3nn2C)cc(Br)c1OC	EMOLS-id_334565050	424.312	GJPKFDIGIXVZRC-SNAWJCMRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133777
n12c(=O)c(=Cc3cc(c(O)c(Br)c3)OC)sc1nc(C(CC)CC)n2	MCULE-3852495134	424.312	BPBGJWBVKKPFSO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133778
Fc1cc(CCCC2CCn3c2c(C(=O)O)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18758577	424.313	TWHLCEVHKLVKGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133779
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	EMOLS-id_324916238	424.314	QKVYMOZNMQUFAJ-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-133780
Cc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_45966223,ZINC22_16735428	424.314	IRSARDOXMKDIHZ-LWINHUFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133781
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	ZINC22_16735425,EMOLS-id_45966221	424.314	QHDYCMIZGGUNEN-ATRNFBLSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133782
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-3737538666	424.314	IRSARDOXMKDIHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133783
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)C=Cc1ccc(cc1)C	MCULE-2145658908	424.314	QKVYMOZNMQUFAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133784
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)C=Cc1ccc(cc1)C	MCULE-2751337376	424.314	QHDYCMIZGGUNEN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133785
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccsc3)/c(=O)n2n1	EMOLS-id_324911631	424.324	IRFKJTMWEFRWQA-NSIKDUERSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133786
n12c(=O)c(=Cc3ccsc3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-2263495588	424.324	IRFKJTMWEFRWQA-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-133787
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)Cn1nnc(c1)COc1ccc(cc1)C(F)(F)F	SCHEMBL19518593	424.334	CDENGEBGHZKCTG-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133788
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)Cn1nnc(c1)COc1ccc(cc1)C(F)(F)F	SCHEMBL19518594	424.334	CDENGEBGHZKCTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133789
c1(NC(=S)NC(=O)c2ccc(Br)cc2)sc2c(CCC2)c1C(=O)N	MCULE-3476543500,PC-id_4504955,ZINC22_16400842,TIMTEC197099	424.335	HNWMSXRBQOPCPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133790
c1(NC(=O)COC(=O)c2ccc(cc2OC)n2cnnn2)sc2c(CCC2)c1C#N	EMOLS-id_320659125,MCULE-6915209321	424.433	KCZBRKIZHSCDBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133829
c1(NC(=S)NC(=O)c2ccccc2Br)sc2c(CCC2)c1C(=O)N	ZINC22_1123417,EMOLS-id_1732768,MCULE-6919050930,PC-id_1299773,CoCoCo_917581	424.335	PZGQEAFBYXBBSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133791
NC(=O)c1c(NC(=S)NC(=O)c2cccc(Br)c2)sc2c1CCC2	PC-id_4504949,ZINC22_16386145	424.335	IFAMLDGBXIWRDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133792
Clc1cc(C(=O)N2CC(CCC2)C(=O)Nc2sc3CCCc3n2)ccc1Cl	PC-id_45882004,EMOLS-id_44098580,MCULE-4111398883	424.344	FCKBEAWOAMUXEO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133793
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1	CoCoCo_4845265,PC-id_51939997,ZINC22_40086824	424.344	FCKBEAWOAMUXEO-GFCCVEGCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133794
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1	PC-id_51939996,CoCoCo_4845266,ZINC22_40086823	424.344	FCKBEAWOAMUXEO-LBPRGKRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133795
c1(NC(=O)CCCOc2ccc(cc2Br)CC)n(C)nc2CSCc12	MCULE-1200027082,EMOLS-id_334562237	424.355	OWJARNDSWPKRCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133796
O=C(NS(=O)(=O)c1[nH]cc2c1CCS2(=O)=O)c1ccc(OC(F)(F)F)cc1	ZINC22_253415791,PC-id_121558492,MCULE-1809969029,EMOLS-id_76004752	424.372	QUNNWSHDENWATO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133797
FC(F)(F)Oc1ccc(C2=CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481305,SCHEMBL5542223	424.374	JIICQPQQTJGGOT-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-133798
FC(F)(F)Oc1ccc(C2=CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5542215,PC-id_69481303	424.374	JIICQPQQTJGGOT-SFHVURJKSA-N	00000010100011110001100010000000000000000000000000000000	25-01-133799
Brc1sc(CN(CC(=O)Nc2sc3CCCc3c2C#N)CC)cc1	PC-id_24451610	424.378	LWQNXXOUQIGJTI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-133800
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC(F)(C)C)O[C@H](C(F)(F)F)C	SCHEMBL17214136,PC-id_118479288	424.392	PUXTZBVNFNUGCJ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133801
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2CC(F)(C)C)O[C@H](C(F)(F)F)C	SCHEMBL17214179,PC-id_118479331	424.392	GMLJTHXSKHZEOD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133802
Cc1c(n2CCCc2c1C(=O)C(=O)NC12CC1(C2)C#N)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19920748,PC-id_134303028	424.4	VFRPNOXLLJQXSC-UHFFFAOYSA-N	00101010100000110000010010000000000000000000000000000000	25-01-133803
FC(F)(F)c1ccc(CC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69479363,SCHEMBL5535579	424.417	ARRJMVAUNTYOJC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133804
O=C1NC(n2nc(c([N+]#[C-])c2NN=C2C(=Nn3c2nnc3C)C(C)(C)C)C)NC(=O)N1	PC-id_76663835	424.42	LPEZTCDIRKPEAV-UHFFFAOYSA-N	00000011100010000001100010000000000000000000000000000000	25-01-133805
C[C@@]1(COc2ccc(cc2)S(=O)(=O)C2OCCNC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16618211,PC-id_117993842	424.428	BTIYMGJAEVAFAZ-OMOCHNIRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133806
C[C@@]1(COc2ccc(cc2)S(=O)(=O)N2CCOCC2)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16618213,PC-id_117993844	424.428	JUBSIXTVXTWHJF-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133807
CCOC(=O)/C(=NO)/C(=N/NC(=O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)/C	PC-id_135554188	424.428	DDCAQZFNAZJEET-BMFUHEEJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133808
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C(=C(N=O)/C(=O)OCC)/C)C(=O)OC	PC-id_19658991	424.428	MUEFJDRIUXHOIH-WQLSENKSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133809
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C(N=O)C(=O)OCC)C)C(=O)OC	PC-id_73633488	424.428	MUEFJDRIUXHOIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133810
c1(NC(=O)c2noc(C)c2COc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	PC-id_19615719,EMOLS-id_8871467,MCULE-7658941208,ZINC22_13641197	424.43	BZKKAAWEHXQYMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133811
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324878849	424.43	KAXBESKBVIKREL-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133812
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324879878	424.43	BQTSNAALRPOXPU-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133813
CCOc1ccc(OCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324879881	424.43	FBEFFTLSTXJCDS-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133814
COc1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324840700	424.43	SHUZDPMEMMKVGZ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133815
COc1ccc(Cc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324925958	424.43	MASNNELRNNDAAW-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133816
COc1ccc(Cc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324926987	424.43	QOZOQMRLUUPFBU-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133817
COc1ccc(Cc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324926990	424.43	RNAVGKWOQMLTLZ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133818
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2067987972	424.43	RNAVGKWOQMLTLZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133819
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5658850480	424.43	MASNNELRNNDAAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133820
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-7875065378	424.43	QOZOQMRLUUPFBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133821
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1ccc(cc1)OCC	MCULE-1143030265	424.43	FBEFFTLSTXJCDS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133822
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1ccc(cc1)OCC	MCULE-3390791006	424.43	KAXBESKBVIKREL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133823
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1ccc(cc1)OCC	MCULE-9492044689	424.43	BQTSNAALRPOXPU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133824
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CCc1ccccc1	MCULE-3946045592	424.43	SHUZDPMEMMKVGZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133825
c1(NC(=O)COc2nonc2C(=O)NCc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_333715261,MCULE-2771540905	424.433	DURNFYDUBLAFKO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-133826
c1(NC(=O)COc2nonc2C(=O)NCc2cccnc2)sc2CCCc2c1C#N	MCULE-5123318371,EMOLS-id_333715003	424.433	CDZJYKUMTYNYBA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-133827
c1(NC(=O)COc2nonc2C(=O)NCc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_333713980,MCULE-3290588355	424.433	ZNNPDZPJRMYEHO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-133828
c1(NC(=O)COc2cccnc2NC(=O)Nc2n[nH]cn2)sc2c(CCC2)c1C#N	MCULE-7697594670,EMOLS-id_321903359	424.436	KZEGRWFVNCKFSO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-133830
c1(NC(=O)c2ccc(c(F)c2F)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1226198979,EMOLS-id_334332588	424.437	HSNWWYXMKIMRNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133831
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2scc(c3cn(nc3C)CC)n2)n1	EMOLS-id_8867986,PC-id_19591222,TIMTEC584931,ZINC22_20607496,MCULE-4921523702	424.443	YYFJLBOMSACDRV-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-133832
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2scc(c3cnn(CC)c3C)n2)n1	TIMTEC312334,MCULE-6007574240,ZINC22_20607508,PC-id_19591190,EMOLS-id_8867918	424.443	MMDZQFHBXRMKMY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-133833
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)F)c2=O)CC	MCULE-1514547691	424.448	PYTCTUUCBZKAOC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-133834
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_2612169	424.448	MYCNDFXCJCIIQS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-133835
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(cccc1)C(=O)N	PC-id_16947329	424.448	QJEYOTNOEGZRMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133836
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_16947330	424.448	HDNLVSRXCYJFTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133837
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)c1ccccc1	SCHEMBL2923615,PC-id_10137160	424.451	YHJBKJOUIGKLET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133838
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2[nH]nc(c3cccc(OC)c3)c2)n1	MCULE-3509812871	424.453	ITUHBRLQSKNZOG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133839
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2[nH]nc(c3cccc(OC)c3)c2)n1	MCULE-9902110714,EMOLS-id_316331326	424.453	ITUHBRLQSKNZOG-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133840
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1[nH]nc(c2cccc(OC)c2)c1	EMOLS-id_317448062,MCULE-3867253532	424.453	JHCGCWQNVKYVMF-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133841
c1(C(=O)NCCOC)cnn2C[C@@H](NC(=O)CCc3onc(c4ccccc4)n3)Cc12	MCULE-3708332951,EMOLS-id_316324150	424.453	HGBKNTCAQCOQSL-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133842
c1(C(=O)NCCOC)cnn2CC(NC(=O)CCc3onc(c4ccccc4)n3)Cc12	MCULE-8199154999	424.453	HGBKNTCAQCOQSL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133843
Fc1ccc(c(F)c1F)C1(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)CC1	EMOLS-id_328216189,MCULE-8275216272	424.458	UHSDWHQUVLRSND-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-133844
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F	PC-id_54363499,BindingDB_PC-id_54363499	424.46	UODONYLPLREJMC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133845
c1(NC(=O)COc2c(F)ccc(F)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3762174312,EMOLS-id_334389266	424.461	GUMAGCUUTMBBNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133846
CCNC(=NCc1nnc2n1CCC2)NCC(Oc1cccc(c1)C(F)(F)F)CC	PC-id_109464644	424.463	LNLKAUQZOURCLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133847
CN=C(NCc1nnc2n1CCC2)NCc1ccc(cc1C(F)(F)F)OC(C)(C)C	PC-id_111499165	424.463	KZMWSTLQNNLRPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133848
c1(C(F)F)c2CCCc2n(CC(=O)N(CC=C)c2nc(C)c(C(=O)OCC)s2)n1	EMOLS-id_8867894,ZINC22_36614130,MCULE-8241618933,TIMTEC266938,PC-id_19591178	424.465	KNIYWTKLLYGTOJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133849
c1(NC(C(=O)c2ccccc2)NC(=O)c2ccco2)sc2c(CCC2)c1C(=O)OC	MCULE-7758128968,PC-id_3852585,EMOLS-id_1104664,TIMTEC226348	424.47	IUGTZPWDHWHPDA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133850
c1(NC(=O)c2cccc(c2)OC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2500714856,EMOLS-id_334336676	424.47	BHJBEJDUCXJLEK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133851
c1(NC(=O)c2ccc(cc2)OC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4160465685,EMOLS-id_334342304	424.47	GWCQNUXVIIPXNA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133852
c1(NC(=O)c2ccccc2OC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_18883696,MCULE-8594026083	424.47	IFEKHQONCFBSHS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133853
COC(=O)c1c(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)sc2c1CCC2	CoCoCo_6092645,PC-id_984746,ZINC22_631269	424.47	IUGTZPWDHWHPDA-LJQANCHMSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133854
COC(=O)c1c(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)sc2c1CCC2	CoCoCo_6092646,PC-id_984744,ZINC22_631267	424.47	IUGTZPWDHWHPDA-IBGZPJMESA-N	00000010101000110000000010000000000000000000000000000000	25-01-133855
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1occc1c1ccccc1)C)C(=O)N	PC-id_24520590	424.47	WPVVOXHIRWADRH-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-133856
COCCNC(=O)c1cc2C[C@@H](Cn2n1)NS(=O)(=O)c1ccc(OC)c(OC)c1	EMOLS-id_316332860,MCULE-1609882479	424.471	NYURSRGYNSHPOU-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133857
S(=O)(=O)(c1ccc(c(OC)c1)OC)NC1Cc2n(nc(C(=O)NCCOC)c2)C1	MCULE-5812039355	424.471	NYURSRGYNSHPOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133858
c12nc(sc1CN(Cc1ccccc1)C2=O)NC(=O)Nc1ccc(c(OC)c1)OC	MCULE-1688100081,PC-id_53188468,EMOLS-id_33030400	424.473	GXWJQQGNAZUNSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133859
c12nc(sc1CN(Cc1ccccc1)C2=O)NC(=O)Nc1c(OC)ccc(OC)c1	MCULE-1169663422,EMOLS-id_33030402,PC-id_53188469	424.473	KKSAZJMNVDBSFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133860
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccccc1C(=O)C	PC-id_141251745	424.473	CGBZGSVRTLYHBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133861
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccc(cc1)C(=O)C	PC-id_141251755	424.473	NOATWINHRHVOMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133862
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)c1ccccc1C(=O)C	PC-id_68441346,SCHEMBL2920616	424.473	IWCWLNZKALVHCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133863
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)c1ccc(cc1)C(=O)C	PC-id_68443437,SCHEMBL2925895	424.473	UDTRXNJHKHIVMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133864
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ncnc(c1)OCc1ccccc1	PC-id_121167999	424.473	CXUOZKXKKULXQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133865
COc1cc(OC)ccc1NC(=O)Nc1sc2c(n1)C(=O)N(C2)Cc1ccccc1	PC-id_53188473,EMOLS-id_33030410,MCULE-8030661547	424.473	CDALLBNFRNVJKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133866
NC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc34)C2=O)sc2c1CCC2	PC-id_2649908,ZINC22_3534186,CoCoCo_3156593	424.473	VALBTCNPKPNJRC-OAQYLSRUSA-N	00000010100000100001000010000000000000000000000000000000	25-01-133867
NC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc34)C2=O)sc2c1CCC2	ZINC22_3534188,PC-id_2649910,CoCoCo_3156592	424.473	VALBTCNPKPNJRC-NRFANRHFSA-N	00000010100000100001000010000000000000000000000000000000	25-01-133868
O=C(c1ccccc1C(=O)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68439421,SCHEMBL2914978	424.473	JIGNHDIIRFAIRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133869
O=C(c1ccc(cc1)C(=O)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2920436,PC-id_68441280	424.473	NBJUQIVIBLQZGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133870
O=C(c1ccc(cc1)C(=O)C)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68441281,SCHEMBL2920437	424.473	QCCKZRLGQLWOIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133871
O=C(c1ccccc1C(=O)C)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2914981,PC-id_68439424	424.473	HAGONYIVJKXPBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133872
O=C(Cc1csc2[n+]1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)/S2)Nc1ccccc1	CoCoCo_5724466,GD-id_ZINC01637125,PC-id_5467822,ZINC22_1637125	424.473	OBPWJOUYMXHKPC-YVLHZVERSA-O	00000010100000110001000010000000000000000000000000000000	25-01-133873
O=C(Cc1csc2[n+]1C(=O)/C(=Cc1cccc([N+](=O)[O-])c1)/S2)Nc1ccccc1	GD-id_ZINC08665097,ZINC22_8665097,CoCoCo_5724467	424.473	OBPWJOUYMXHKPC-LICLKQGHSA-O	00000010100000110001000010000000000000000000000000000000	25-01-133874
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(Cn2nccc2)cc1)C(=O)N	PC-id_41591133	424.473	NVOJKRIIJXCQMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133875
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1)c1ccccc1)C)C(=O)N	PC-id_46661987	424.473	OFMMEOMGSKNAEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133876
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cn(nc1)Cc1ccccc1)C(=O)N	PC-id_25554629	424.473	ZSYDKYSCLLNCTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133877
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cn(nc1)c1ccccc1)C(=O)N	PC-id_31022588	424.473	AUHQBTHUTCZFKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133878
S1c2scc([n+]2C(=O)C1=Cc1cc([N+](=O)[O-])ccc1)CC(=O)Nc1ccccc1	PC-id_377815	424.473	OBPWJOUYMXHKPC-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-133879
Cc1n(/N=Cc2ccccc2)c2c(c1P(=O)(c1ccccc1)c1ccccc1)CCC2	PC-id_101042418	424.474	LJRYEFWZXJQNHL-RRAHZORUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133880
P(=O)(c1c2c(n(/N=C/c3ccccc3)c1C)CCC2)(c1ccccc1)c1ccccc1	PC-id_21632153	424.474	LJRYEFWZXJQNHL-VFCFBJKWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133881
P(=O)(c1c2c(n(N=Cc3ccccc3)c1C)CCC2)(c1ccccc1)c1ccccc1	PC-id_73815719	424.474	LJRYEFWZXJQNHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133882
c1(NC(=O)c2cnccn2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	ZINC22_23139570,PC-id_30862795,EMOLS-id_24913577,MCULE-1974484254,CoCoCo_5277787	424.476	WSLYSXFAYMVGST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133883
c1(c2CCCc2sc1N=Cc1ccc(cc1)F)C(=O)Nc1ccc(cc1OC)OC	PC-id_3699892,MCULE-8821813754	424.488	MJSDYIYILZUEGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133884
c1(c2CCCc2sc1N=Cc1cccc(F)c1)C(=O)Nc1ccc(cc1OC)OC	MCULE-7138025420,PC-id_4520552	424.488	LOAMFPXOPYZGFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133885
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccc(cc1)OCC	CoCoCo_1754300,MCULE-2734679489,ZINC22_8589794,STOCK2S-36865,ChEMBL-DNDi_CHEMBL3759-1362,PC-id_4665036,EMOLS-id_4437473	424.488	POUUXVZMSUAHOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133886
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccccc1OCC	CoCoCo_736865,EMOLS-id_1088275,MCULE-8697823271,ZINC22_1215088,PC-id_1368959	424.488	IWUNRDXJCVJDOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133887
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)F)C(=O)Nc1ccc(cc1)OCC	MCULE-3868636257,ChEMBL-DNDi_CHEMBL8012-1428,ZINC22_2983363,EMOLS-id_2395818,CoCoCo_1960147,SPECS-id_AG-205/40776448,PC-id_2282674	424.488	LEFHVGGFWGUMFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133888
COc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccc(F)c2)c(OC)c1	ZINC22_9907616,PC-id_9675338,TIMTEC290827,EMOLS-id_46388647,CoCoCo_6250387	424.488	LOAMFPXOPYZGFD-DHRITJCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133889
COc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2ccc(F)cc2)c(OC)c1	PC-id_9631670,EMOLS-id_46366868,TIMTEC310142,ZINC22_9805451,CoCoCo_6047863	424.488	MJSDYIYILZUEGN-DHRITJCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133890
COc1cc(OC)ccc1NC(=O)c1c(/N=Cc2ccc(cc2)F)sc2c1CCC2	CoCoCo_6047864	424.488	MJSDYIYILZUEGN-MXAYSNPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133891
COc1cc(OC)ccc1NC(=O)c1c(/N=Cc2cccc(c2)F)sc2c1CCC2	CoCoCo_6250388	424.488	LOAMFPXOPYZGFD-MXAYSNPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133892
c1(NC(=O)c2ccccc2F)c2CSCc2nn1CC(=O)NCCc1ccccc1	MCULE-5046228818,PC-id_30862872,CoCoCo_5277820,EMOLS-id_24913633,ZINC22_23139655	424.491	HHVSJNZOXDEGSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133893
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2N)OC	PC-id_137355637,SCHEMBL20580127	424.491	CYSBHXBDEZNAOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133894
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)N)OC	PC-id_137355473,SCHEMBL20579938	424.491	SGHIPZDYQMATEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133895
CCOc1c(ccc(c1)[C@H](CN1C(=O)c2c(C1=O)scc2N)S(=O)(=O)C)OC	SCHEMBL20589827,PC-id_137363593	424.491	WYMBSUPLAOAFTN-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133896
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2N)OC	PC-id_137355635,SCHEMBL20580125	424.491	CYSBHXBDEZNAOW-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133897
CCOc1cc(ccc1OC)[C@@H](N1C(=O)c2c(C1=O)c(sc2)N)CS(=O)(=O)C	PC-id_141237109	424.491	SGHIPZDYQMATEB-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133898
CCOc1cc(ccc1OC)[C@H](N1C(=O)c2c(C1=O)c(sc2)N)CS(=O)(=O)C	SCHEMBL20579937	424.491	SGHIPZDYQMATEB-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133899
CCOc1ccc(cc1OC)C(N1C(=O)c2c(C1=O)c(sc2)N)CS(=O)(=O)C	PC-id_141237098	424.491	SOPGEWGOUHCVQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133900
CCOC(=O)C1OCc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_69566535,SCHEMBL5790476	424.491	LEWDIADYYCGGFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133901
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N(C)C)cc1	PC-id_16947258	424.491	LCTXEBPWFMNXOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133902
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053669	424.491	FFPPESCYPWKSBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133903
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053670	424.491	MHAUXIMBARULST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133904
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053671	424.491	FQVSMMDEIMPIPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133905
S1Cc2c(nn(c2NC(=O)c2cc(F)ccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053761	424.491	MYLYDOGTPYJDSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133907
S1Cc2c(nn(c2NC(=O)Cc2ccccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053720	424.491	YRWCIGVZHFHBRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133908
S1Cc2c(nn(c2NC(=O)Cc2ccc(F)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053356	424.491	XIDFIZCFTQYBLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133909
[C-]#[N+]c1c(=C(C)C)n2c(c1C(=O)OC1CCCCC1)nc(n2)C(=O)OC1CCCCC1	SCHEMBL12220603,PC-id_59449060	424.493	SNYZBLLUWVEXQY-UHFFFAOYSA-N	00000000100010000001000010000000000000000000000000000000	25-01-133910
COc1ccc(cc1OC)CNC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109580	424.493	BZGMUHLITZPWTE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133911
O(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)c1cc(C(=O)N2CCOCC2)ccc1	CoCoCo_1420857,PC-id_42508757,CoCoCo_1420856	424.493	LHNUEODOQZYPSD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-133912
CNC(=O)Cn1c[n+]2c(c1)C(CC2)SC1=C(C(=O)[O-])N2[C@H](S1)[C@H](C2=O)C(O)C	SCHEMBL9691114	424.494	VDYVXOLBUXCLES-XDNBYVIBSA-N	00001011100000000001001010000000000000000000000000000000	25-01-133913
[O-]C(=O)C1=C(SC2CC[n+]3c2cn(c3)CCC(=O)N)S[C@H]2N1C(=O)[C@@H]2C(O)C	SCHEMBL10407602	424.494	QVBIJGMPRWTMRA-XDNBYVIBSA-N	00001011100000000001001010000000000000000000000000000000	25-01-133914
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)NC(=O)OCC)C(=O)OCC	PC-id_45550290	424.494	KERXAVOTWQBZPS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133915
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)NC)C(=O)[O-]	PC-id_19978582	424.494	VDYVXOLBUXCLES-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-133916
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)CC(=O)NC)C(=O)[O-]	PC-id_10342302	424.494	VDYVXOLBUXCLES-RNLHFVIUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-133917
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)CC(=O)NC)C(=O)[O-]	PC-id_9979772	424.494	VDYVXOLBUXCLES-WABIZIGASA-N	00001011100000000001001010000000000000000000000000000000	25-01-133918
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)C(=O)OC(C)(C)C	PC-id_69635278,SCHEMBL6010742	424.495	VMHQCHKWARYZBI-IBGZPJMESA-N	00000010100010000001000010000000000000000000000000000000	25-01-133919
O1C(CN(CCN2C[C@@H](N(CC2)C(=O)O)C(C)(C)C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635298	424.495	AHQMQHNWOUHFGK-MJTSIZKDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133920
O1C(CN(CCN2CC(N(CC2)C(=O)O)C(C)(C)C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635288	424.495	AHQMQHNWOUHFGK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133921
O1C(CN(CCN2CCN(CC2)C(=O)OC(C)(C)C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_77712947	424.495	VMHQCHKWARYZBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-133922
c1(NC(=O)COc2cccnc2NC(=O)c2cccs2)sc2c(CCC2)c1C#N	EMOLS-id_321805434,MCULE-2480671865	424.496	IDHWENJPIIZGBN-UHFFFAOYSA-N	00000010100100101000000010000000000000000000000000000000	25-01-133923
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1	BindingDB_PC-id_23645992,BindingDB-id_21798,CHEMBL381565,PC-id_23645992	424.496	ACXFBDRQBQFLGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133924
Fc1ccc(cc1)N1CC(CC1=O)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109836	424.511	RIOXJRAFWZJIHK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133925
c1(c2CCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_4406316,CoCoCo_2720386,MCULE-7651816205,EMOLS-id_16406126	424.513	WLVJTXOVLWAYEF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133926
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)Nc1ccccc1C	EMOLS-id_4107709,MCULE-6059274508,PC-id_17377387,TIMTEC229053	424.513	IXKKCWRYIPXVKD-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133927
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)Nc1ccc(C)cc1	EMOLS-id_4107695,PC-id_17377367,TIMTEC29724,MCULE-5507105848	424.513	ADBCIAIEDYZEHA-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133928
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)Nc1cccc(C)c1	PC-id_17379591,TIMTEC115374,EMOLS-id_4107707,MCULE-9396317581	424.513	DAKDRZPZWWASAW-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133929
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCC2)c1C(=O)NCc1ccccc1	TIMTEC344637,EMOLS-id_4107713,MCULE-4005823035,PC-id_17377140	424.513	NWDRGFDDZIYMNZ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133930
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7523005268,EMOLS-id_334337453	424.513	CNVFOZJHVPGRMC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133931
c1(NC(=O)C(=Cc2ccc(cc2)OCCCC)C#N)sc2c(CCC2)c1C(=O)OC	PC-id_4623634,MCULE-6952770717	424.513	CVYYQERDSSFKCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133932
c1(NC(=O)C(=Cc2ccc(cc2)OCCC)C#N)sc2c(CCC2)c1C(=O)OCC	PC-id_4184519,MCULE-8350411647	424.513	CUQAZZBYRQXJRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133933
c1(NC(=O)C(=Cc2ccccc2OCCC)C#N)sc2c(CCC2)c1C(=O)OCC	PC-id_73569153,MCULE-4151704575	424.513	HKTAIMRNOFNEAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133934
c1(NC(=O)CCc2ccccc2OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336172,MCULE-8272107570	424.513	JBHSJZBZWDEFSH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133935
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1707015521,EMOLS-id_334338220	424.513	POQBAYXESBNUSF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133936
c1(NC(=O)CCc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336428,MCULE-3837551546	424.513	GCMKVKLMWWRBBH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133937
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337963,MCULE-6646736668	424.513	AORHXLIICOKISE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133938
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334341540,MCULE-8440634150	424.513	QYMCUNFWXWNUSV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133939
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7731926919,EMOLS-id_334338981	424.513	GXHATMGZHFYKRM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133940
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338730,MCULE-8713689592	424.513	ZILZCADMVUFBHZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133941
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_27663637,MCULE-5149362862,TIMTEC608510,PC-id_17013019,EMOLS-id_10105986,CoCoCo_6330349	424.513	ZYSSXAFRWUEHMA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133942
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_2827507,CoCoCo_921254,MCULE-6092193531,EMOLS-id_2208727,PC-id_2186402,TIMTEC69091	424.513	BAXFJFVTTAYTJJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-133943
Cc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832325,ZINC22_17094007,PC-id_27526024	424.513	IXKKCWRYIPXVKD-GJZGRUSLSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133944
Cc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832326,ZINC22_17094008,PC-id_27526026	424.513	IXKKCWRYIPXVKD-HUUCEWRRSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133945
Cc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27526022,CoCoCo_6832327,ZINC22_17094006	424.513	IXKKCWRYIPXVKD-CABCVRRESA-N	00000010100011110000000010000000000000000000000000000000	25-01-133946
Cc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	PC-id_27526028,ZINC22_17094009,CoCoCo_6832324	424.513	IXKKCWRYIPXVKD-LSDHHAIUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133947
Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)sc3c2CCC3)c1	CoCoCo_6833893,ZINC22_17094004,PC-id_27526018	424.513	DAKDRZPZWWASAW-HZPDHXFCSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133948
Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)c1	PC-id_27526014,CoCoCo_6833894,ZINC22_17094002	424.513	DAKDRZPZWWASAW-CVEARBPZSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133949
Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)c1	ZINC22_17094003,CoCoCo_6833892,PC-id_27526016	424.513	DAKDRZPZWWASAW-HOTGVXAUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133950
Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)sc3c2CCC3)c1	ZINC22_17094005,PC-id_27526020,CoCoCo_6833891	424.513	DAKDRZPZWWASAW-JKSUJKDBSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133951
Cc1ccc(NC(=O)c2c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)cc1	CoCoCo_6832273,PC-id_27526000,ZINC22_17093990	424.513	ADBCIAIEDYZEHA-HOTGVXAUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133952
Cc1ccc(NC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)sc3c2CCC3)cc1	CoCoCo_6832274,ZINC22_17093991,PC-id_27526002	424.513	ADBCIAIEDYZEHA-HZPDHXFCSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133953
Cc1ccc(NC(=O)c2c(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)sc3c2CCC3)cc1	PC-id_27526004,ZINC22_17093992,CoCoCo_6832272	424.513	ADBCIAIEDYZEHA-JKSUJKDBSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133954
Cc1ccc(NC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)cc1	ZINC22_17093989,CoCoCo_6832271,PC-id_27525998	424.513	ADBCIAIEDYZEHA-CVEARBPZSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133955
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328219000,MCULE-5333382136	424.513	XUOVJHFBVZHPKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133956
O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6831585,ZINC22_17094012,PC-id_27526034	424.513	NWDRGFDDZIYMNZ-HZPDHXFCSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133957
O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27526036,CoCoCo_6831588,ZINC22_17094013	424.513	NWDRGFDDZIYMNZ-CVEARBPZSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133958
O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_17094010,PC-id_27526030,CoCoCo_6831586	424.513	NWDRGFDDZIYMNZ-JKSUJKDBSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133959
O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_17094011,PC-id_27526032,CoCoCo_6831587	424.513	NWDRGFDDZIYMNZ-HOTGVXAUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-133960
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCCC)cc1)/C#N)C(=O)OCC	PC-id_1663674	424.513	CUQAZZBYRQXJRR-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133961
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCCCC)cc1)/C#N)C(=O)OC	PC-id_1652380	424.513	CVYYQERDSSFKCQ-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133962
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1c(OCCC)cccc1)/C#N)C(=O)OCC	PC-id_19206692	424.513	HKTAIMRNOFNEAZ-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133963
s1c2c(CCC2)c(c1NC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)OCC	PC-id_52088116	424.513	KPFLZMSIEBBQDR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-133964
CCCCCCCC[N+]1(CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C(=O)O	PC-id_89437148,SCHEMBL14774874	424.514	NJSBNSSQEXRMSA-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-133965
c1(NC(=O)CCCc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccco1	CoCoCo_5277732,EMOLS-id_24913481,MCULE-2648403070,PC-id_30862661,ZINC22_23139406	424.516	LUHHBZAIQYDGKH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133966
c1(NC(=O)C(CC)c2ccccc2)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_44053312,MCULE-5275759427,EMOLS-id_24913479	424.516	ZEBJERJKRDAMEX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133967
c1(NC(=O)COc2cccnc2NC(=O)C2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_321804666,MCULE-2397841688	424.516	GVIUGKRGECSMDA-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-133968
CCc1ccc(cc1)S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1ccccc1	MCULE-4925184584,EMOLS-id_316320058	424.516	DLHSTDHAUTYGHU-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133969
CC(C)(C)c1ccc(cc1)C(=O)Nn1c2c(CN(C2)S(=O)(=O)c2ccccc2)cn1	PC-id_91160602	424.516	ISVXAOHKQFFAPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133970
CC[C@@H](C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2)c1ccccc1	PC-id_30862655,ZINC22_23139400,CoCoCo_5277730	424.516	ZEBJERJKRDAMEX-QGZVFWFLSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133971
CC[C@H](C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2)c1ccccc1	ZINC22_23139403,CoCoCo_5277731,PC-id_30862657	424.516	ZEBJERJKRDAMEX-KRWDZBQOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-133972
CCCN(C(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	CHEMBL1407306,BindingDB-id_101847,PC-id_2528678,ZINC22_3409770,CoCoCo_3280312,PD120751,BindingDB_PC-id_2528678,ChEMBL-DNDi_CHEMBL1407306	424.516	DXQIPLZMKHLJLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133973
N#Cc1c(NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)sc2c1CCC2	EMOLS-id_43983202,CoCoCo_4236442,ZINC22_9503712,PC-id_16359435,MCULE-8790833402,CoCoCo_4236441	424.516	BADKKJFNNHICOA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-133974
N#Cc1c(NC(=O)CNc2ccccc2C(=O)NCC2CCCO2)sc2c1CCC2	PC-id_16371259,MCULE-2750807195,EMOLS-id_11822187	424.516	DMNDAJPLGSOLSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133975
N#Cc1c(NC(=O)CNc2ccccc2C(=O)NC[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_4240469,PC-id_41273927,ZINC22_9913878	424.516	DMNDAJPLGSOLSI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133976
N#Cc1c(NC(=O)CNc2ccccc2C(=O)NC[C@H]2CCCO2)sc2c1CCC2	PC-id_41273928,CoCoCo_4240468,ZINC22_9913882	424.516	DMNDAJPLGSOLSI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133977
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL2919885,PC-id_10113120	424.516	ZRUCHNFMDLHPHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133978
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1	PC-id_44060421	424.516	RSFMSNBFNLJIAJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133979
S(=O)(=O)(N(Cc1ccccc1)C)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536315	424.516	DIJVZYNZAOCYHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133980
S(=O)(=O)(N(CC)c1ccccc1)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536322	424.516	OPEWPMBWLXTPQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133981
N#Cc1c(NC(=O)CSc2nnc(o2)[C@H]2CCS(=O)(=O)C2)sc2c1CCC2	CoCoCo_4189902,PC-id_25981999	424.518	IOJPUBZNUKIFEY-VIFPVBQESA-N	00000010100000000001100010000000000000000000000000000000	25-01-133982
N#Cc1c(NC(=O)CSc2nnc(o2)[C@@H]2CCS(=O)(=O)C2)sc2c1CCC2	PC-id_25981998,CoCoCo_4189901,GD-id_ZINC14183618	424.518	IOJPUBZNUKIFEY-SECBINFHSA-N	00000010100000000001100010000000000000000000000000000000	25-01-133983
S1(=O)(=O)CC(CC1)c1oc(SCC(=O)Nc2sc3CCCc3c2C#N)nn1	PC-id_17566934	424.518	IOJPUBZNUKIFEY-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-133984
O=C(N(CCC[n+]1c[nH]cc1)Cc1ccc(OCC)cc1)NCc1n2CCCc2nn1	PC-id_52651131	424.519	KVJWQPRABJNXCN-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-133985
s1nc(nc1N/N=C
/C(=Nn2nc(nc12)C(C)C)C(C)(C)C)c1ccc(OC)cc1	PC-id_59913528	424.523	ULYZPIIVZUTXKH-UCQKPKSFSA-N	00000011100000110001100010000000000000000000000000000000	25-01-133986
s1nc(nc1NN=C1C(=Nn2nc(nc12)C(C)C)C(C)(C)C)c1ccc(OC)cc1	PC-id_72594697	424.523	ULYZPIIVZUTXKH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-133987
S1(=O)(=O)CC(N(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)CC#C)CC1	PC-id_56574869	424.534	QGZJIUQFOXOKBL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133988
c1(c2CCCc2[nH]n1)C(=O)N(C)[C@H]1[C@H](O)CC[C@@](c2ccccc2)(CNC(=O)C)CC1	EMOLS-id_48426442,ZINC22_257208199,BDG-34123342,PC-id_110147364,MCULE-8652412376	424.536	BLCUEANCTUJJQY-PQNGQFLHSA-N	00000010100000110101100010000000000000000000000000000000	25-01-133989
c1(C(=O)NC(C)C)cc2n(CC(C2)NC(=O)C2(CCCCC2)c2ccc(cc2)OC)n1	MCULE-7753568355	424.536	SCAQHHLBWNMQCI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133990
c1(C(=O)NC(C)C)cc2n(C[C@H](C2)NC(=O)C2(CCCCC2)c2ccc(cc2)OC)n1	MCULE-8267271448,EMOLS-id_316327738	424.536	SCAQHHLBWNMQCI-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133991
CCCCn1c(C)c2c(c1C)C(=O)N(CN1CCN(c3ccccc3OC)CC1)C2=O	CHEMBL4528653	424.536	QIWXOIOTSLOHEG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-133992
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(Oc2ccccc2)cc1)C(=O)OC	PC-id_20414367	424.536	ZIVMOKNAAOJGRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133993
s1c2c(CCC2)c(c1NC(=S)Nc1c(Oc2ccccc2)cccc1)C(=O)OC	PC-id_20415590	424.536	MHBNUTHHLRKCMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-133994
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nnc1C(C)(C)O	CoCoCo_6800537,EMOLS-id_4107817,PC-id_3298068,MCULE-8080032326,TIMTEC399346,ZINC22_17094061	424.538	QFFXESKPELBHJY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-133995
CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)NC1CCS(=O)(=O)C1	MCULE-7352563744,EMOLS-id_48934479,PC-id_4837476	424.538	LLRMNEKSKRRGFT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133996
CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N[C@@H]1CCS(=O)(=O)C1	CoCoCo_3580841,PC-id_2453487,ZINC22_3337293,CoCoCo_3580839	424.538	LLRMNEKSKRRGFT-GFCCVEGCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133997
CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC22_3337291,CoCoCo_3580840,CoCoCo_3580842,PC-id_2453484	424.538	LLRMNEKSKRRGFT-LBPRGKRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-133998
n12c(=O)c(=Cc3ccc(OC)cc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-7545239126	425.502	XWVDDXBQELOCJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134231
O=S1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	ChEMBL-DNDi_CHEMBLF0561-0721,PC-id_2160461	424.538	IGSUIKHNRGYVIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-133999
O=[S@@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	PC-id_40592290,CoCoCo_4985569	424.538	IGSUIKHNRGYVIP-MHZLTWQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-134000
O=[S@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	PC-id_40592291,CoCoCo_4985570	424.538	IGSUIKHNRGYVIP-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134001
S1(=O)(=O)CC(NC(=O)CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)CC1	PC-id_56524944	424.538	BAURDTTUXIJMRO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134002
Cc1cc(c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1	EMOLS-id_11758902,ZINC22_9950467,CoCoCo_4072153,MCULE-7656607877,PC-id_4613496	424.539	JLJMTCXYTNENKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134003
CC(C)(C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)N(C1CCCCC1)C(=O)N	PC-id_91447448	424.539	UAKROYFYZDVHKE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134004
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCCN1CCN(CC1)c1ncccn1	PC-id_101676821	424.539	MHFUCZYSPYLMCK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-134005
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCC1)C	SCHEMBL1206359,PC-id_24765898	424.539	YKNFLMQTPXOXCM-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-134006
N#Cc1c(NC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCC3)sc2c1CCC2	MCULE-5004275083,EMOLS-id_3082348,CoCoCo_3784482,ZINC22_3293269,PC-id_2408876	424.539	QSAUGYBRKADUSF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134007
O=C(N1C(c2[nH]nc(NC(=O)NCc3c(cccc3)C)c2C1)(C)C)C1CCN(CC1)C	PC-id_10093847	424.539	BSFATCSGISMGDF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134008
O=C(NC1CCCCC1)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_10224211,SCHEMBL2923869	424.539	AUYJMZYSPMBUEN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134009
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[N@@H+](Cc1cnn(c1)Cc1ccccc1)C	GD-id_ZINC08156541,PC-id_9291847	424.539	SFMNYVZXTNWUBK-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-134010
OC(=O)CCN(c1cc(c(/N=C/C(=Nn3nc(nc23)C(C)C)C(C)(C)C)cc1)C)CC	PC-id_60109573	424.539	ATETVGPEDVLIFS-CLCOLTQESA-N	00000011100000110001000010000000000000000000000000000000	25-01-134011
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1cn(nc1)c1ccccc1)C)C)C(=O)N	PC-id_41259794	424.539	LCBIFJDIOXIIOL-AWEZNQCLSA-O	00000010100000110001100010000000000000000000000000000000	25-01-134012
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1cn(nc1)c1ccccc1)C)C)C(=O)N	PC-id_41259796	424.539	LCBIFJDIOXIIOL-CQSZACIVSA-O	00000010100000110001100010000000000000000000000000000000	25-01-134013
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1cn(nc1)c1ccccc1)C)C)C(=O)N	PC-id_74755347	424.539	LCBIFJDIOXIIOL-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-134014
c1(NC(=O)CSc2nnc(CCc3ccccc3)n2N)sc2c(CCC2)c1C#N	EMOLS-id_335775395,MCULE-6320055193	424.542	ALBCHGXVEKZEKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134015
Cc1ccc(Cc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	EMOLS-id_335777966,MCULE-2962691640	424.542	LLBJPANBYMDBAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134016
CC(c1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N)c1ccccc1	MCULE-4798123607,EMOLS-id_335780768	424.542	KZTKJMSPENWUHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134017
CCOC(=O)c1c(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)sc2CCCc12	MCULE-4407557527,EMOLS-id_327906473	424.554	BKXDSVHGFGUPPO-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134018
Fc1cc(Br)c(cc1C(c1sc2c(c1)CCC2)Br)Cl	PC-id_105400115	424.554	PTNRGOSCSNXFFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134019
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1Sc1ccccc1	EMOLS-id_328216695,MCULE-7196625730	424.557	HRRKIGLDJCUDMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134020
c1(C(=O)NCC(C)Oc2cccc(CN(C)Cc3ccsc3)c2)c2CCCc2[nH]n1	EMOLS-id_20650619,MCULE-8685826009,PC-id_45228622	424.559	OPWYJCANLDKKDT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-134021
C=CCSc1cc2n(c1C(=O)c1ccsc1)CCC2(C#N)C(=O)c1ccsc1	SCHEMBL10970361,PC-id_70483688	424.559	DPUYWZVPZJBDGL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-134022
C=CCSc1cc2n(c1C(=O)c1cscc1)C(CC2C#N)C(=O)c1cccs1	PC-id_70483684,SCHEMBL10970356	424.559	FWMVTQAKGCBDDJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-134023
C=CCSc1sccc1C(=O)c1cc2n(c1C(=O)c1ccsc1)CCC2C#N	SCHEMBL10970345,PC-id_70483679	424.559	RGBVALYURPDDQA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-134024
C[C@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2ccsc2)c1	CoCoCo_1494807,ZINC22_12218716,CoCoCo_1494813,CoCoCo_1494811,PC-id_42472450,CoCoCo_1494809	424.559	OPWYJCANLDKKDT-MRXNPFEDSA-N	00000010100100110001000010000000000000000000000000000000	25-01-134025
C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2ccsc2)c1	CoCoCo_1494812,ZINC22_12218715,CoCoCo_1494808,CoCoCo_1494806,PC-id_42472448,CoCoCo_1494810	424.559	OPWYJCANLDKKDT-INIZCTEOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-134026
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1c(OCC)cccc1)C#N	PC-id_24588650	424.559	OWFTWQOBNVJCCD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134027
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1ccc(OC)cc1)C#N	PC-id_55482313	424.559	YARXDHWPRHNERC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134028
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CCOc1ccccc1)C#N	PC-id_36041316	424.559	QFHSHSQDYACXSK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134029
s1c2CCCc2c(c1NC(=O)CCN(C(C)C(=O)Nc1ccccc1)CCC)C#N	PC-id_56526557	424.559	OPANPXWABKXKOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134030
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(cc(cc1C)C)C)C)C#N	PC-id_36054626	424.559	JJSBQFPOUYZKMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134031
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC=C)nn1)C(=O)OCC	PC-id_16517729	424.561	VXIUJJZZWZXQMI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134032
Cc1cc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)nc(C(C)C)n1	CoCoCo_4232567,EMOLS-id_11764829,CoCoCo_4232566,PC-id_9439445,MCULE-3980231939,ZINC22_36386918	424.562	DIWHVTDQXWLZRP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-134033
CC(Oc1ccc(cc1)NC(=NCc1nnc2n1CCC2)NCCc1cccs1)C	PC-id_111860268	424.562	ZEWSCTHEVFXMNI-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-134034
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCCCCCCCCC(=O)O	MCULE-9807645868,EMOLS-id_328215412	424.576	MOJNZJPGFVJPFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134035
CCN(CCN(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCN(C)C)CC	PC-id_44242046,SCHEMBL3810323	424.579	OJRHNOFGLBJOLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134036
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC=C)C(=O)c1c(cccc1)C	PC-id_51603953	424.579	LLCFSPXUZSGDHA-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-134037
CC/C=C(/c1cc(ccc1)CN(C)c1ccccc1N=C)c1c(c2=CCC=c2s1)C=C	PC-id_134569376,SCHEMBL20219764	424.6	ANIHPOCBMCQVBU-KSEXSDGBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134038
CN=C(c1c(sc2c1CCC2)N)NC1CCC(CC1)N(C)CCCc1ccccc1	PC-id_89137839	424.645	SXBREMUPQDKKCJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134039
Clc1ccc(cc1)C(C(=O)N1CCc2c1cc(s2)C(F)(F)F)Br	PC-id_142476940	424.663	OFYTXHVBYZRPLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134040
s1c2c(CCC2)c(c1NC(=S)NCCCCCCCCCCCC)C(=O)OC	PC-id_19651421	424.663	FZKGSDVQZQINFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134041
s1c2c(CCC2)c(c1NC(=S)N(CCCCCC)CCCCCC)C(=O)OC	PC-id_19653431	424.663	PFKBBQRIXAFEBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134042
O=C(O)c1c(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nn2c1CCC2	ZINC22_1875342870	424.687	KZLBFEWDNOVNRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134043
C=CCOc1c(cc(cc1C(C)(C)C)C)[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	PC-id_21880963,SCHEMBL2919822	424.714	WILBIVDBWKSHOX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-134044
O=C(c1c(Br)nc2n1CCC2)N1CCC(Oc2ccc(Cl)cc2)CC1	ZINC22_2325822703	424.719	JSWJQJWKZBYFPT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134045
CC[Si](CC)(CC)N(CCCn1c(c2CCCc2c1O)O)[Si](CC)(CC)CC	PC-id_90831029	424.768	ZJJVEDCEIVIJMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134046
ClC(=O)N1C(c2nn(c(NC(=O)C(C(F)(F)F)(C)C)c2C1)C(=O)OCC)(C)C	PC-id_57523242	424.803	HHWIWFCAYZWOOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134047
Clc1c(cc(S(=O)(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1)C(F)(F)F	CoCoCo_3541086,PC-id_2109514	424.846	DSNPEWAXEHDXIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134048
Fc1ccc(c(c1)F)[C@]([C@H](N1Cc2c(C1=O)sc(c2)Cl)C)(Cn1ncnc1)O	PC-id_141459154	424.852	PEPWTLZAZTXSIE-MLCYQJTMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134049
CCOC(=O)n1cc(c2c1C(C)(C)N(C2)C(=O)Cl)Nc1nc(NCC)ncc1F	SCHEMBL19195045	424.857	IEBYCCSBRSKDMC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-134050
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)Cl)Nc1nc(CCC)ncc1F	SCHEMBL19195053	424.857	WOWZMSKGFPXOJY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-134051
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324921856	424.86	ZGKCJKYISUCPML-VBZZJEHLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134052
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)C=Cc1ccc(cc1)C	MCULE-3531908603	424.86	ZGKCJKYISUCPML-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134053
COc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(Cl)cc1C(=O)O	EMOLS-id_328219262,MCULE-3096348631	424.877	RFVWSSFKQXKATK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134054
COc1cc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(OC)cc1Cl	MCULE-9885134765,PC-id_46861340,EMOLS-id_31548378	424.877	RCXKWHHCYOUJNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134055
COc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(OC)cc1Cl	PC-id_52340530,ZINC22_51364579	424.877	RCXKWHHCYOUJNE-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134056
COc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c(OC)cc1Cl	PC-id_52340531,ZINC22_51364580	424.877	RCXKWHHCYOUJNE-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134057
COc1cc(OC)c(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1Cl	MCULE-1442269979,PC-id_46861339,EMOLS-id_31548376	424.877	GOTVLSXXVFIWGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134058
COc1cc(OC)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1Cl	ZINC22_51364577,PC-id_52340528	424.877	GOTVLSXXVFIWGO-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134059
COc1cc(OC)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)cc1Cl	ZINC22_51364578,PC-id_52340529	424.877	GOTVLSXXVFIWGO-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134060
c1(C(=O)NCc2ccccc2)cnn2C[C@H](Cc12)NC(=O)c1cc(Cl)ccc1OC	MCULE-1331340817,EMOLS-id_317445503	424.88	OFOQJYTZDRYQLA-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134061
Clc1ccc(cc1)CN1CCn2c1c(C(=O)NCc1ccc(cc1)C(=O)O)c(n2)C	SCHEMBL18740046	424.88	QPYVCVOJUUYQRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134062
c1(NC(=S)NC(=O)c2ccc(Cl)c(c2)N(=O)=O)sc2c(CCC2)c1C(=O)N	PC-id_4505658,TIMTEC168527,ZINC22_16384461,MCULE-5777230387	424.882	GHSYCYXTHCVMPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134063
NC(=O)c1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2	ZINC22_16385773,PC-id_4505414	424.882	GGVCYJPJDUDNHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134064
NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2	PC-id_4505410,ZINC22_16385704	424.882	ZXTFHTVGBBSQTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134065
C1Cc2nnc(n2C1C(=O)NCCc1ccc(cc1)Cl)CNC(=O)c1cnccc1	PC-id_134790903	424.883	GXBZPEFRTKWQQB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-134066
Clc1ccc(CNC(=O)Nc2n[nH]c3c2CN(C3)C(=O)NCc2ccccc2)cc1	SCHEMBL2923776,PC-id_68442553	424.883	DRAKGMDGGHJRIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134067
Clc1ccc(C(=O)N(c2ccc(NC(=O)NCc3n4CCCc4nn3)cc2)C)cc1	PC-id_60577748	424.883	LNQMOCQXMLIVPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134068
c1(NC(=O)c2cc(Cl)ccc2OC)c2CSCc2nn1CC(=O)NCCOC	MCULE-2933566776,ZINC22_23138998,PC-id_30862314,CoCoCo_5277587,EMOLS-id_24913305	424.902	IZAOREVFRMXANJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134069
c1(NC(=O)COc2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862236,EMOLS-id_24913245,MCULE-1859401640,ZINC22_23138915,CoCoCo_5277556	424.902	ZQARTRQKHTZPLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134070
c1(NC(=O)C(=O)NCc2ccccc2Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-1638275532,EMOLS-id_5625826,CoCoCo_5190612,PC-id_18586556,ZINC22_10250650	424.902	UBSKEFYFNCINPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134071
c1(NC(=O)C(=O)NCc2ccc(cc2)Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-8649187478,CoCoCo_5190620,ZINC22_10250666,PC-id_18586563,EMOLS-id_5625840	424.902	AGQSONIKGBRUJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134072
Clc1n2N=C(C(CNS(=O)Oc3c(ccc(c3)C)C)C)Cc2c([N+](=O)[O-])c1C	PC-id_54402001	424.902	RWQVYLJJSZGYGH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-134073
c1(NC(=O)c2c(=O)cc(n(c3ccc(c(Cl)c3)C)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322819626,MCULE-9546476836	424.903	ODGQLKCRUKGZKZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134074
c1(NC(=O)c2c(=O)cc(n(c3cccc(Cl)c3C)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322819882,MCULE-8649383627	424.903	XQHLWAIJBCUWED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134075
CCOC(=O)c1c(NC(=O)CN(C)Cc2c(F)cccc2Cl)sc2c1CCC2	ZINC22_58160258,CoCoCo_3585571,MCULE-2505923281,EMOLS-id_3297231,PC-id_2507934,CoCoCo_3585572	424.917	DNTYHRIVGIOEDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134076
Clc1ccc(SCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_3334181	424.922	NWVSFYLDQRLXGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134077
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(SC)cc1	PC-id_3997644	424.922	BPLGOPQYKUYXJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134078
Clc1cc(C(=O)/N=c/2sc3C(OC(c3n2CCOC)(C)C)(C)C)c(OC)cc1	SCHEMBL3382501,PC-id_24899945	424.941	WHFHPQMNVXZHLV-PYCFMQQDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134079
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)Cl)C(=O)Nc1ccccc1CC	CoCoCo_6711978,MCULE-3576979763,PC-id_3770287,ZINC22_16157427,TIMTEC198785,EMOLS-id_2763582	424.943	HPVCXFYJSQAWMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134080
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1CC	ZINC22_2948096,EMOLS-id_2123929,PC-id_2267384,MCULE-6353607355,TIMTEC411306,CoCoCo_736761	424.943	QSNPHIMDFOGRRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134081
c1(c2CCCc2sc1NC(=O)c1cccc(Cl)c1)C(=O)Nc1ccccc1CC	EMOLS-id_2763237,ZINC22_4211552,CoCoCo_1731256,MS2_ST016103,PC-id_3637087,MCULE-2335693098	424.943	KPUPRKDBGWTKLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134082
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329763,MCULE-1031807395	424.943	FOZZWSXLVDCSML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134083
c1(NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3325328461,EMOLS-id_334331043	424.943	ZVTORQCJMIUCBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134084
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334332320,MCULE-1964709272	424.943	NWVJZBUVCOEOMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134085
Clc1sc(CN2CCN(CC2)C(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_24658919	424.965	BXTXVRCEJZLVQP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-134086
CS(=O)(=O)c1nc2c(n1C(c1cc(ccc1)S(=O)(=O)O)C(F)(F)F)CNC2	PC-id_163647268	425.033	IJHLWBHIXLWISO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134087
C1C=C2C(=C1)SC=C2CC(C(=O)C(=O)N)NC(=O)C3=NSN=C3C4=CC=CC=N4	PC-id_160743523	425.062	RVWYSDOOQBPXCG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-134088
CCOCCCC(=O)N1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_140256963	425.093	KLWZDZXYBSTDHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134089
COC(=O)c1c2N(CCn2nc1CF)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_164071771	425.097	WPUNZNFZXZKKMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134090
CCN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NS(=O)(=O)C4CC4	PC-id_151946796	425.098	TVUVZADTHIBTPF-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-134091
CCCCOCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_140257041	425.136	IEQGIQAGSZTRQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134092
CCN(C)C1=CC=C(C=C1)N=NC2=NC3=C(S2)CC(S3)N=NC4=CCN(C=C4)C	PC-id_149116790	425.146	QYNGPIMBQYCYRY-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-134093
COCCN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=CC=CC=C4F)[N+](=O)[O-])C=N1	PC-id_161479986	425.15	MOTBPXCSJVZQRG-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-134094
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3045365212	425.502	NWSJQTSHOLUCIO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134232
COCCN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=CC=CC=C4F)[N+](=O)[O-]	PC-id_161479985	425.15	WAUZPLNGBKAWOY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-134095
CC(C)(C)OC(=O)CCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)O)Cl	PC-id_165018081	425.161	AGJURXYHYLIOPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134096
CCCCCCCC[N+]1([O-])Cc2c(C1=O)c(sc2Br)Br	SCHEMBL17201477,PC-id_118468522	425.179	DXTINMKNWMCLHQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134097
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC(=CC=C4)N(C)C)C	PC-id_164615895	425.203	TVESTZRUNOZLGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134098
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC(=CC=C4)N(C)C)C	PC-id_164619402	425.203	AKKUKSSGUZFGIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134099
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)N(C)C)C	PC-id_164619730	425.203	WKJGMTSTZCGZQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134100
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)N(C)C)C	PC-id_164622449	425.203	CDQHSHMPFBIGGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134101
CCOC(=O)C1=NN(C2=C1CCC2)CC(=S)N3CCC(CC3)C4=CC=CC(=C4C)C	PC-id_153575620	425.214	SMWCLUBHXPRXGX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134102
Brc1c(NC(=O)COC(=O)c2sc3CCCc3c2)ccc([N+](=O)[O-])c1	PC-id_45637965	425.254	HUZCCKGHLRTRIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134103
c12CN(Cc1nn(C(C)(C)C)c2I)C(=O)OCc1ccccc1	MCULE-1754642530,EMOLS-id_324344422	425.264	NUUQZDSGLBCYPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134104
Brc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Cc1ccccc1	SCHEMBL2916016,PC-id_68439810	425.279	BKWWLHURDQMXJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134105
C1c2c(CN1C(=O)Cc1ccccc1)n(nc2)NC(=O)c1cc(ccc1)Br	PC-id_91047611	425.279	AAFNFVGQNNWNHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134106
CCOC(=O)c1c(NC(=O)Cn2cc(Br)ccc2=O)sc2c1CCC2	PC-id_24237073,MCULE-3335184254,ZINC22_12789302,CoCoCo_3168058,EMOLS-id_17176504	425.297	FFXPJFOSZDFXAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134107
c1(NC(=O)Cc2csc(c3c(cccc3Cl)Cl)n2)n(C)nc2CSCc12	MCULE-8263470904,EMOLS-id_320493122	425.355	PSBVUEPPYDNVRS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134108
c1(NC(=O)Cc2csc(c3cccc(Cl)c3Cl)n2)n(C)nc2CSCc12	EMOLS-id_320490819,MCULE-7423656402	425.355	GMDNYJJIOQSFPK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134109
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C#N)c(c1F)C(F)(F)F	BindingDB_PC-id_118483467,PC-id_118483467,BindingDB-id_435308,SCHEMBL17222989	425.355	GMPSCGGNUUCRKH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134110
Brc1cc(c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1)C	PC-id_20413453	425.363	AOVJJOLXNUIAIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134111
Brc1c(cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1)C	PC-id_20413529	425.363	ORRDMIFGDBXUFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134112
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc(c1)C	PC-id_20411123	425.363	ZOUGGUQJXZKKJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134113
N#Cc1c(NC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCC2	MCULE-6803659836,ZINC22_9987737,CoCoCo_2980447,EMOLS-id_11701585,PC-id_16287638	425.382	ICJVLWXOJIBHTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134114
s1c2c(CCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1cc(ccc1)C(F)(F)F	PC-id_27526165	425.402	DLZNEMYDBPLGGS-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-134115
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC(F)F)ccc1)C(=O)OC	PC-id_16522072	425.403	YBGXYEIPNDLJNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134116
FC(F)(F)c1ccc(CN2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081093,SCHEMBL5539838	425.405	PLMAHFXZKHIMDX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134117
FC(F)(F)c1ccc(CN2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69480653,SCHEMBL5539828	425.405	PLMAHFXZKHIMDX-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134118
FC(F)(F)c1ccc(CN2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481573,SCHEMBL5543362	425.405	PLMAHFXZKHIMDX-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134119
O=C(c1ccccc1OC(F)(F)F)Nc1sc2c(c1C(=O)C1CCC1)C(OC2)C	SCHEMBL2162482,PC-id_24772409	425.421	BCIRHFISUHYZMH-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-134120
c1(NC(=O)COc2cccnc2NC(=O)Nc2[nH]nnn2)sc2c(CCC2)c1C#N	EMOLS-id_321903103,MCULE-9007488927	425.424	ZPWFXUJOBIMKSN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-134121
s1c2c(CCC2)cc1C(=O)N1CCN(CC1)c1c([N+](=O)[O-])cc(cc1)C(F)(F)F	PC-id_29228508	425.425	JWXNHERJXDETPV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134122
Cc1c(cc(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)C#C)C)F	SCHEMBL20252952,PC-id_134599051	425.428	ZANDEYKMQVTVNX-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-134123
O=C(c1ccc(cc1)Oc1ccccc1)Nc1n[nH]c2c1CN(C2)C(=O)c1ccccn1	SCHEMBL2918577,PC-id_10224242	425.439	XHRMAWUIMXBQCG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-134124
CC(NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)n1ccoc1=O)C	PC-id_139982972	425.441	SBPGINGVEBILBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134125
CCCCc1c(nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C)C(=O)N	PC-id_140261643	425.445	HZTLNURECRVQQM-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134126
c1(NC(=O)Cc2csc(c3ccc(cc3)OC(F)(F)F)n2)sc2c(CCC2)n1	EMOLS-id_323290384,MCULE-2762833268	425.448	ZPTGKDOLFBOVGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134127
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1ccc(cc1)C(=O)OC	PC-id_42988256	425.454	ILNPVJSNDIIDNK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134128
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1cc([nH]n1)CCOc1ccc(cc1)F	EMOLS-id_264229,BDF-25426011,MCULE-8053164673	425.456	GELJUONDXJMNIQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134129
N/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1cccc(c1)F)N	PC-id_142295099	425.456	CTLZXLRONUSLTC-WJDWOHSUSA-N	00100010100000110000000010000000000000000000000000000000	25-01-134130
O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1	ZINC22_257230898	425.456	GELJUONDXJMNIQ-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134131
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1	ZINC22_257230899	425.456	GELJUONDXJMNIQ-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134132
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5526527671,EMOLS-id_334339245	425.458	CTXNKGICHVBLMY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134133
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5525550571,EMOLS-id_334341027	425.458	OJZWXZJZEBRMDK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134134
c1(NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336687,MCULE-4131146373	425.458	JHQYTADQMVMSAH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134135
Cc1onc(c2ccccc2)c1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-5269740083,PC-id_3928916,ZINC22_9128064,EMOLS-id_3396623,CoCoCo_2839006	425.458	GCUZNLHSIQRPMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134136
CCOc1cc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)ccc1O	EMOLS-id_324867597	425.458	SOWACFVBFNDAAW-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134137
CCOc1cc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)ccc1O	EMOLS-id_324873743	425.458	MGSXQNQLRNEHCE-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134138
CCOc1cccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)c1O	EMOLS-id_324871680	425.458	BDBALFRQHXICHM-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134139
CCOc1cccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)c1O	EMOLS-id_324877826	425.458	QVZRDQWSHWDCSR-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134140
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(O)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324881921	425.458	UCGHAXPIZRUTIL-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134141
COc1cc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)ccc1O	EMOLS-id_324924935	425.458	NAZPZEBCOAKELL-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134142
COc1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324844273	425.458	VWAGQUGCXBKRDH-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134143
COc1ccccc1OCc1nc2s/c(=Cc3cccc(OC)c3OC)/c(=O)n2n1	EMOLS-id_324873728	425.458	KFZURVHUDFAVDD-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134144
COc1ccccc1OCc1nc2s/c(=Cc3ccc(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324866061	425.458	VSWADHOHLWFCHC-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134145
COc1cccc(OCc2nc3s/c(=Cc4cccc(OC)c4OC)/c(=O)n3n2)c1	EMOLS-id_324875779	425.458	BRTISIWUJMSSHJ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134146
COc1cccc(OCc2nc3s/c(=Cc4ccc(OC)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324872207	425.458	AEUQHFXEUYNXED-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134147
COc1cccc(OCc2nc3s/c(=Cc4cc(OC)ccc4OC)/c(=O)n3n2)c1	EMOLS-id_324876291	425.458	KHAQPJNZGIICFR-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134148
COc1ccc(OC)c(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)c1	EMOLS-id_324870145	425.458	SZXBDXBOHPRDPU-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134149
Fc1ccccc1n1ncc(C#N)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9370992743,EMOLS-id_328221820	425.458	XAFYUESMLBDWLY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134150
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1ccccc1OC	MCULE-7886822819	425.458	SZXBDXBOHPRDPU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134151
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1cccc(OC)c1	MCULE-9013078148	425.458	KHAQPJNZGIICFR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134152
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1ccccc1OC	MCULE-9694485658	425.458	KFZURVHUDFAVDD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134153
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1cccc(OC)c1	MCULE-6509413106	425.458	BRTISIWUJMSSHJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134154
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1ccccc1OC	MCULE-8619374762	425.458	BDBALFRQHXICHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134155
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1cccc(OC)c1	MCULE-6989577359	425.458	QVZRDQWSHWDCSR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134156
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1ccccc1OC	MCULE-2205503653	425.458	VSWADHOHLWFCHC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134157
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1cccc(OC)c1	MCULE-2208110833	425.458	AEUQHFXEUYNXED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134158
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2448863997	425.458	NAZPZEBCOAKELL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134159
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-6693236053	425.458	UCGHAXPIZRUTIL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134160
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1ccccc1OC	MCULE-1210344031	425.458	SOWACFVBFNDAAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134161
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1cccc(OC)c1	MCULE-5132088424	425.458	MGSXQNQLRNEHCE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134162
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1ccccc1	MCULE-5663378333	425.458	VWAGQUGCXBKRDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134163
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(oc1C)c1ccccc1)C(=O)N	PC-id_41185352	425.458	YNLYZQLKBSUFCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134164
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1ccc(OC)cc1)/C#N)C(=O)N	PC-id_28135410	425.458	NWHHCUUQMKDMSN-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134165
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccc(OC)cc1)C#N)C(=O)N	PC-id_74547340	425.458	NWHHCUUQMKDMSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134166
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC#N)cc1)C(=O)N	PC-id_41218266	425.458	XDVPLRWVMRQQFO-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134167
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(OCC#N)cc1)C(=O)N	PC-id_74752912	425.458	XDVPLRWVMRQQFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134168
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1)c1ncccc1)C)C(=O)N	PC-id_46425759	425.461	FQWUCGDZVCDFHP-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-134169
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(nc1C)c1ccccc1)C(=O)N	PC-id_24379730	425.461	PKTIARCLZNAAMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134170
CC(CCc1c(F)c(F)c(c(c1F)F)CNC(=O)Cc1n(C)nc2c1CCC2C)C	PC-id_139660135	425.463	UWTSJNQIWCEGDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134171
CCCCCc1c(F)c(F)c(c(c1F)F)CNC(=O)Cc1n(C)nc2c1CCC2C	PC-id_139660147	425.463	VEZPKAJRWFBILG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134172
O=C(Cc1n(C)nc2c1CCC2C)NCc1c(F)c(F)c(c(c1F)F)CC(C)(C)C	PC-id_139660128	425.463	HJTVBXXKESYQML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134173
s1c2c(CCC2)c(c1Nc1nc(NCc2ccccc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127535	425.464	RHZXSKIQQJVYAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134174
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c(cccc1)C(F)(F)F)C)C)C(=O)N	PC-id_24664890	425.468	LDYFBOGDXAELSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134175
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=C/c1ccc(cc1)F	PC-id_66874707,SCHEMBL1007188	425.473	OVJXEPSGNVCYBC-LGMDPLHJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134176
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CCC2=Cc1ccc(cc1)F	SCHEMBL1007189,PC-id_66874708	425.473	OVJXEPSGNVCYBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134177
c12c(CCC1C(=O)Nc1cc(C)ccc1OC)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947287,EMOLS-id_12346635,MCULE-2919588498	425.476	JHQHKTMBDURMRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134178
c12c(CCC1C(=O)NCc1ccc(cc1)F)sc(NC(=O)c1ccc(cc1)OC)n2	PC-id_16828761,EMOLS-id_12347761,MCULE-5296829539	425.476	DNXXCGRKBNLCMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134179
c1(NC(=O)COc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1cccnc1	ZINC22_27663108,CoCoCo_6329959,EMOLS-id_9388335,TIMTEC177240,MCULE-2605497420,PC-id_17012686	425.476	GRLCKBYEOXONAW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134180
CCCOc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1OC	EMOLS-id_324839154	425.476	ORXYZUIJAJQTDH-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134181
CCOc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1OCC	EMOLS-id_324838130	425.476	GKQDJMWTEBIZTL-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134182
COc1ccc(C)cc1NC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc12	PC-id_40945595,ZINC22_9131666,CoCoCo_5124790	425.476	JHQHKTMBDURMRR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134183
COc1ccc(C)cc1NC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc12	ZINC22_9131665,PC-id_40945594,CoCoCo_5124791	425.476	JHQHKTMBDURMRR-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134184
COc1ccc(CCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324893711	425.476	XPWSFWCYSYSVFC-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134185
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccc(F)cc2)cc1	PC-id_41007179,CoCoCo_5124869,ZINC22_9301322	425.476	DNXXCGRKBNLCMA-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134186
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccc(F)cc2)cc1	ZINC22_9301326,PC-id_41007185,CoCoCo_5124868	425.476	DNXXCGRKBNLCMA-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134187
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(F)c(C)c4)/c(=O)n3n2)cc1	EMOLS-id_324894214	425.476	OYAWUBHFDWJYLC-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134188
n12nc(nc1sc(=Cc1ccc(c(C)c1)F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3835190120	425.476	XPWSFWCYSYSVFC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134189
n12nc(nc1sc(=Cc1ccc(c(C)c1)F)c2=O)CCCOc1ccc(OC)cc1	MCULE-2059053256	425.476	OYAWUBHFDWJYLC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134190
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)Cc1ccc(F)cc1	MCULE-5088756650	425.476	ORXYZUIJAJQTDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134191
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)Cc1ccc(F)cc1	MCULE-6585527489	425.476	GKQDJMWTEBIZTL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134192
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(OC)cc1)C	PC-id_16947309	425.476	FMMXYNSIBDERAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134193
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(OCC)cc1	PC-id_16947255	425.476	YNVKNQYPIHCDIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134194
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(OC)cc(cc1)C	PC-id_16947308	425.476	MRZKGJSGMXOTAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134195
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(OCC)cccc1	PC-id_16947254	425.476	PAENQQHOUSJBGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134196
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(OC)cc1	PC-id_16947216	425.476	LEDMQZVWYIGIRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134197
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCc1cc(OC)ccc1	PC-id_16947302	425.476	FDPWILOZFKJOPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134198
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCc1c(OC)cccc1	PC-id_16947217	425.476	SIAFSTHTPBJYKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134199
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(F)c(cc1)C	PC-id_16947917	425.476	VKRLWVBIQCSSIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134200
COc1c(OC)cc(cc1OC)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109354	425.478	CMQDQHYWBRPZJP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134201
CCCCNC(=O)N1Cc2c(C1)n(nc2N(c1ccc(cc1)OC)C=O)C(=O)C1CC1	PC-id_141257322	425.481	FADCWORHRKFFBB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-134202
COc1cc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OC(=O)C	EMOLS-id_206967234,STOCK4S-63424,ZINC22_13776715	425.481	OBFOHDKGFFQJSZ-XMFMUOABSA-N	00000000100100110001000010000000000000000000000000000000	25-01-134203
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)C=Cc1cccs1	MCULE-7030915289	425.481	OBFOHDKGFFQJSZ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-134204
NC(=O)Cc1occc1C(=O)NC1CCCC2N(C1CC2)C(=O)c1n[nH]c2c1CCC2	MCULE-2374959973,EMOLS-id_324024632,PC-id_146095341	425.481	GPYWYSAOSKUUGS-UHFFFAOYSA-N	00000010101000000101000010000000000000000000000000000000	25-01-134205
NC(=O)Cc1occc1C(=O)N[C@H]1CCC[C@H]2CC[C@H]1N2C(=O)c1n[nH]c2c1CCC2	ZINC22_2325798010	425.481	GPYWYSAOSKUUGS-AFAVFJNCSA-N	00000010101000000101000010000000000000000000000000000000	25-01-134206
NC(=O)Cc1occc1C(=O)N[C@@H]1CCC[C@H]2CC[C@H]1N2C(=O)c1n[nH]c2c1CCC2	ZINC22_2325798011	425.481	GPYWYSAOSKUUGS-JCURWCKSSA-N	00000010101000000101000010000000000000000000000000000000	25-01-134207
O=C(n1nc(NC(=O)c2ccc(OC)cc2)c2c1CN(C2)C(=O)NCCCC)C1CC1	PC-id_54767816	425.481	JHXPKIVVBVBBBE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-134208
S1c2scc([n+]2C(=O)C1=Cc1cc(N(O)[O-])ccc1)CC(=O)Nc1ccccc1	PC-id_20832187	425.481	GKKYVIVQAQLNLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134209
CCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1=O	PC-id_91176355	425.484	MOMQCZOGCNFKJC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134210
CCNC(=O)Nc1n[nH]c2c1CNC2NC(=O)C(C)c1ccc(cc1)N1CCCC1=O	PC-id_91493959	425.484	VYBUBDVJQNQJLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134211
CC(NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1=O)C	SCHEMBL2919295,PC-id_68440891	425.484	DRWDMLQNQYLIAN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134212
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1)C(=O)OC	PC-id_41274462	425.494	ZWZQNLOPKXSCEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134213
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C1CC1	PC-id_9979845,BindingDB_PC-id_9979845	425.499	VBWXQPUACHCVRW-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-134214
s1c2c(CCC2)c(c1NC(=O)CN(CC)CC(=O)NC(=O)OCC)C(=O)OCC	PC-id_8905465	425.499	XIYHVAXBKPWLBX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134215
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCNC(=O)OC(C)(C)C)C(=O)N	PC-id_8947060	425.499	SZLHBYISDYETAO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134216
c1(c2CCCc2sc1NC(=O)CNCc1ccco1)C(=O)Nc1ccc(cc1)OC	EMOLS-id_2184574,CoCoCo_866087,MCULE-8227881060,ChEMBL-DNDi_CHEMBL1341777,ZINC22_6558505,PC-id_1328344,CHEMBL1341777	425.501	LSUBQAIXBGUEQO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134217
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)c1	ZINC22_65568129,EMOLS-id_35736887,MCULE-9552970504,PC-id_53515892	425.501	CDNUQKIQUPUTQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134218
Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)c(=O)n(c2ccccc2)n1C	PC-id_40940415,ZINC22_9119563,CoCoCo_2840729	425.501	KZTFAXIKCPVYMH-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134219
Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)c(=O)n(c2ccccc2)n1C	PC-id_40940416,CoCoCo_2840728,ZINC22_9119564	425.501	KZTFAXIKCPVYMH-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134220
CCc1ccc(S(=O)(=O)Nc2nc3n(c2C(=O)c2ccc(OC)cc2)CCC3)cc1	ZINC22_95944152,MCULE-4589750353,PC-id_75458407,EMOLS-id_48839062	425.501	NSWUKUHNAUHEIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134221
CC(C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1)OC(=O)c1sc2c(c1)CCC2	PC-id_4782219,EMOLS-id_43696700,MCULE-4625121302	425.501	KZTFAXIKCPVYMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134222
s1c2CCCc2cc1C(=O)NNC(=O)Cc1ccc(OCc2c(onc2C)C)cc1	PC-id_27684365	425.501	OERMZDZHGDECHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134223
Cc1ccc(O)c(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324823037	425.502	DVPDDIDNGGGZHE-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134224
COc1ccccc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324821497	425.502	IKUGICUFERFSNM-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134225
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324824055	425.502	XWVDDXBQELOCJC-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134226
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324822521	425.502	KWLQQWSYBNSQFZ-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134227
n12c(=O)c(=Cc3ccccc3OC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-3433421988	425.502	IKUGICUFERFSNM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134228
n12c(=O)c(=Cc3cc(C)ccc3O)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8936288294	425.502	DVPDDIDNGGGZHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134229
n12c(=O)c(=Cc3cccc(OC)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8512860329	425.502	KWLQQWSYBNSQFZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134230
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)Cc1ccccc1	MCULE-8531179326	425.502	ZDTKJKNVAGCUCT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134233
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-2421989010	425.502	CSKWMVFEMHYZEJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134234
Oc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324831474	425.502	NWSJQTSHOLUCIO-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134235
Oc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324830453	425.502	CSKWMVFEMHYZEJ-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134236
O=c1n2nc(Cc3ccccc3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324836089	425.502	ZDTKJKNVAGCUCT-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134237
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)/C=C/c1ccc(F)cc1)C#N	PC-id_16620124	425.502	DMHYDZZSACDDBF-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134238
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)C=Cc1ccc(F)cc1)C#N	PC-id_73282612	425.502	DMHYDZZSACDDBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134239
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CCC(=O)N)C(=O)O	PC-id_22163060	425.502	QVBIJGMPRWTMRA-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-134240
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)NC)C(=O)O	PC-id_19978583	425.502	VDYVXOLBUXCLES-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-134241
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)CC(=O)NC)C(=O)O	PC-id_10342303	425.502	VDYVXOLBUXCLES-RNLHFVIUSA-O	00001011100000000001001010000000000000000000000000000000	25-01-134242
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)CC(=O)NC)C(=O)O	PC-id_9979773	425.502	VDYVXOLBUXCLES-WABIZIGASA-O	00001011100000000001001010000000000000000000000000000000	25-01-134243
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CCC(=O)N)C(=O)O	PC-id_18641511	425.502	QVBIJGMPRWTMRA-XDNBYVIBSA-O	00001011100000000001001010000000000000000000000000000000	25-01-134244
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)NC)C(=O)O	PC-id_18641517	425.502	VDYVXOLBUXCLES-XDNBYVIBSA-O	00001011100000000001001010000000000000000000000000000000	25-01-134245
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=NS(=O)(=O)c2ccc(cc2)C)[O-])C1	PC-id_35396388	425.502	XIVDAYZZDCBAHD-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-134246
c1(NC(=O)COc2cccnc2NC(=O)N2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_321855674,MCULE-6353763370	425.504	NNTJHHUGGXBUBP-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-134247
c1(NC(=O)COc2cccnc2NC(=O)NC2CCCC2)sc2c(CCC2)c1C#N	EMOLS-id_321874296,MCULE-1119420896	425.504	PPPVSCBQPFIVPS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134248
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccs1	SCHEMBL12879415,PC-id_58015679	425.504	PAQOLEYLYKEVOZ-OAHLLOKOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-134249
s1c2CCCc2c(c1NC(=O)c1cc([N+](=O)[O-])c(N2CCN(CC2)CC)cc1)C#N	PC-id_24023971	425.504	FKQJYYAWNXBKFI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134250
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_37647681	425.504	DFEAIACBCCHLQN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134251
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1cc([N+](=O)[O-])ccc1)C#N	PC-id_55842852	425.504	VCZLECLYDXKPOS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134252
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1c([N+](=O)[O-])cccc1)C#N	PC-id_24588920	425.504	LCLKKOBFSLXXJT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134253
S(=O)(=O)(Nc1cc(ccc1)C)c1cc(C(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_37335530	425.504	XQOCXKIEGZBTMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134254
S(=O)(=O)(Nc1c(cccc1)C)c1cc(C(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_37335549	425.504	BGHGJWHWYBFGRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134255
S(=O)(=O)(Nc1ccc(cc1)C)c1cc(C(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_52547981	425.504	MVIGAMJWLZQEDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134256
S(=O)(=O)(Nc1ccc(C(=O)NCc2n3CCCc3nn2)cc1)c1cc(c(cc1)C)C	PC-id_37335537	425.504	HZUIGWDMZXQXTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134257
S(=O)(=O)(N(c1ccc(C(=O)NCc2n3CCCc3nn2)cc1)C)c1ccc(cc1)C	PC-id_52547282	425.504	VVSBVWNSPBUHAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134258
S(c1n(NC(=O)c2nn(c3CCCc23)C)cnn1)CC(=O)NC(c1ccccc1)C	PC-id_84467191	425.507	IJQPADYEPJCTKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134259
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1CCc1ccc(F)cc1	CoCoCo_2840804,EMOLS-id_43696734,PC-id_4027054,ZINC22_12638478,MCULE-2864760014	425.516	NUSAWZWWFGWLDP-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-134260
ClC(Cl)(Cl)c1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324912128	425.516	UUSIQJSNAGRFRY-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-134261
ClC(Cl)(Cl)c1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324911107	425.516	IIZSEUOWCBCMRV-YVMONPNESA-N	00000000100000110001000010000000000000000000000000000000	25-01-134262
n12c(=O)c(=Cc3ccc(Br)cc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8041164371	425.516	UUSIQJSNAGRFRY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134263
n12c(=O)c(=Cc3ccccc3Br)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-3952282609	425.516	IIZSEUOWCBCMRV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134264
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_74534283	425.521	BAMMETVZPNZHSN-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134265
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_74534290	425.521	FGHMQRKMWVTOIR-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134266
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_74534292	425.521	PGGXFGLATCILHK-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134267
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_74534291	425.521	NJTLEYCNKYVOGX-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134268
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27526203	425.521	BAMMETVZPNZHSN-CVEARBPZSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134269
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27526205	425.521	BAMMETVZPNZHSN-HOTGVXAUSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134270
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27526207	425.521	BAMMETVZPNZHSN-HZPDHXFCSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134271
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1ccc(cc1)C	PC-id_27526209	425.521	BAMMETVZPNZHSN-JKSUJKDBSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134272
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27526257	425.521	FGHMQRKMWVTOIR-CVEARBPZSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134273
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27526259	425.521	FGHMQRKMWVTOIR-HOTGVXAUSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134274
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27526261	425.521	FGHMQRKMWVTOIR-HZPDHXFCSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134275
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27526263	425.521	FGHMQRKMWVTOIR-JKSUJKDBSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134276
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27526273	425.521	PGGXFGLATCILHK-CABCVRRESA-M	00000010100010110000000010000000000000000000000000000000	25-01-134277
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27526275	425.521	PGGXFGLATCILHK-GJZGRUSLSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134278
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27526277	425.521	PGGXFGLATCILHK-HUUCEWRRSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134279
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27526279	425.521	PGGXFGLATCILHK-LSDHHAIUSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134280
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_27526265	425.521	NJTLEYCNKYVOGX-JKSUJKDBSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134281
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_27526267	425.521	NJTLEYCNKYVOGX-HOTGVXAUSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134282
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_27526269	425.521	NJTLEYCNKYVOGX-HZPDHXFCSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134283
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NCc1ccccc1	PC-id_27526271	425.521	NJTLEYCNKYVOGX-CVEARBPZSA-M	00000010100010110000000010000000000000000000000000000000	25-01-134284
O=C(C(c1ccccc1)c1ccccc1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109405	425.522	VIWQXRLIZVCMTD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134285
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1ccc(cc1)c1ccccc1	PC-id_92109433	425.522	ZJFJWXFSWDBUGR-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-134286
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)CCSC)C(=O)OCC	PC-id_16545095	425.522	GARLOUIOMYKUFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134287
c1(c2CCCc2[nH]n1)C(=O)N1CCC(Cc2onc(C3CCCCC3)c2)(C(=O)NC)C1	BDF-24695851,MCULE-4561840702,EMOLS-id_260955	425.524	LZCSYHSEPWCPTG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-134288
CC(C)[C@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nnc2n1CCC2	ZINC22_72271449,PC-id_95760830	425.524	OHIWDJYOCJRTOC-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134289
CC(C)[C@@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nnc2n1CCC2	ZINC22_72271450,PC-id_95760831	425.524	OHIWDJYOCJRTOC-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134290
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(SC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324880388	425.524	SSPQDDAVWSDHNT-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134291
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCC1)C	PC-id_66941345,SCHEMBL1205109	425.524	RVHCBAVZISFCQB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-134292
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCC1)C	SCHEMBL1205106,PC-id_58015579	425.524	RVHCBAVZISFCQB-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-134293
CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_19739154	425.524	LZCSYHSEPWCPTG-HSZRJFAPSA-N	00000010100010000001100010000000000000000000000000000000	25-01-134294
CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_19739155	425.524	LZCSYHSEPWCPTG-QHCPKHFHSA-N	00000010100010000001100010000000000000000000000000000000	25-01-134295
COc1ccc(Cc2nc3s/c(=Cc4ccc(SC)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324923402	425.524	BONGUTXXGNXWPC-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134296
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)C=Cc1cccs1	MCULE-5984513187	425.524	NBXYRLZAGKOYNR-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-134297
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-3932498455	425.524	BONGUTXXGNXWPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134298
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)COc1ccc(cc1)OCC	MCULE-7899142906	425.524	SSPQDDAVWSDHNT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134299
O=C(c1ccc(cc1)CNC(=O)c1cccs1)NNC(=O)c1sc2c(c1)CCC2	PC-id_45909086,EMOLS-id_44130072,CoCoCo_4937718,MCULE-6694275340	425.524	MNIGBJMUWOSGGV-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134300
O=C(C1CCN(CC1)C(=O)COc1ccccc1)NC(c1nnc2n1CCC2)C(C)C	EMOLS-id_42884717,MCULE-8216911389,PC-id_72139040	425.524	OHIWDJYOCJRTOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134301
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)Nc1c(O)cccc1)C#N	PC-id_41099440	425.524	BADKKJFNNHICOA-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-134302
S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)N(Cc2n3CCCc3nn2)C)cc1	PC-id_16621888	425.526	WGALYPDLZSYFGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134303
Cc1ccccc1OCc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	CoCoCo_3118692,MCULE-3716542979,CoCoCo_3118693,CoCoCo_3118694,EMOLS-id_11992275,ZINC22_8850226,PC-id_17556395	425.527	ZZOQHUKHSMUCOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134304
CCCCN1CCN(C(C1)C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	PC-id_145493509	425.527	VZYWYKGWHGUVPH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134305
CCCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1	SCHEMBL2922937,PC-id_68442213	425.527	FFDYVOXWSLLFNT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134306
CC[C@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508135,BindingDB_PC-id_59508135,SCHEMBL596792	425.527	OWWXYXHAGIOVBX-GJZGRUSLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134307
CC[C@@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_66738900,SCHEMBL597429,BindingDB_PC-id_66738900	425.527	OWWXYXHAGIOVBX-LSDHHAIUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134308
CCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508232,SCHEMBL6375987	425.527	PLLFYLZPYZELKV-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134309
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccoc1C	ZINC22_9791786,CoCoCo_3096679,MCULE-2175959423,PC-id_16323882,EMOLS-id_11757898	425.527	BRDIXFLRVXERLR-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-134310
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)(C)C	SCHEMBL598009,BindingDB_PC-id_66739069,PC-id_66739069	425.527	AYZZWYGKZBQCTP-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134311
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C(C)C	SCHEMBL6376430,PC-id_59508120	425.527	QSXAAKHCLSVPEV-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134312
CCN1C[C@H](C)N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_71053229,SCHEMBL14038491	425.527	LMZLXZNQWUWTHE-LOACHALJSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134313
CCN1C[C@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_66738952,SCHEMBL597574	425.527	LMZLXZNQWUWTHE-GJZGRUSLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134314
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_66739063,BindingDB_PC-id_66739063,SCHEMBL597992	425.527	LMZLXZNQWUWTHE-CABCVRRESA-N	00000010100010101001000010000000000000000000000000000000	25-01-134315
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)COC)c1ccccc1)C#N	PC-id_17137009	425.527	IILDQJCSLXWNMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134316
C/N=Cc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C	SCHEMBL19200733	425.531	HIZJOWIGTBIHLD-XYQPXQNDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-134317
c12c(CCC1C(=O)NCCC1=CCCCC1)sc(NC(=O)c1ccc(cc1)OC)n2	MCULE-9752097587,PC-id_16947845,EMOLS-id_12347751	425.544	CZAFSJPSNCGVTP-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-134318
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3C)C2)sc2c(CCC2)c1C(=O)NC	MCULE-4666940584,EMOLS-id_334330840	425.544	GAEXCHGTBYFCQP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134319
c1(NC(=O)COc2ccc(cc2)NC(=O)CCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_323280665,MCULE-4505679273	425.544	OCISNUORRYNIEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134320
c1(NC(=O)COc2cccc(c2)NC(=O)CCCCCC)sc2c(CCC2)c1C#N	MCULE-5905045962,EMOLS-id_323219108	425.544	PJJGBQNHFGQKIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134321
Cc1cc(C)cc(c1)C(=O)N1CCCC(C1)C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_45909090,EMOLS-id_30058323,MCULE-7511853504	425.544	BWCAPMMAJWKWTA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134322
Cc1cc(C)cc(c1)C(=O)N1CCC[C@H](C1)C(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4937721,PC-id_51959207	425.544	BWCAPMMAJWKWTA-QGZVFWFLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134323
Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_51959206,CoCoCo_4937722	425.544	BWCAPMMAJWKWTA-KRWDZBQOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134324
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCCC2=CCCCC2)cc1	CoCoCo_5124866,ZINC22_9301295,PC-id_41007156	425.544	CZAFSJPSNCGVTP-GOSISDBHSA-N	00000010100011110001000010000000000000000000000000000000	25-01-134325
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCCC2=CCCCC2)cc1	CoCoCo_5124867,ZINC22_9301292,PC-id_41007153	425.544	CZAFSJPSNCGVTP-SFHVURJKSA-N	00000010100011110001000010000000000000000000000000000000	25-01-134326
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)c1c(OC)ccc(OC)c1)C#N	PC-id_55482819	425.544	WVYFORJXRFPYIR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134327
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCC1)c1c(OC)cc(OC)cc1)C#N	PC-id_55482980	425.544	LSPBVKDCLPPHOD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134328
s1c2c(CCC2)c(c1NC(=O)CCN(C1CC1)Cc1c(OC)ccc(OC)c1)C#N	PC-id_56101791	425.544	DVWZJYHFYAPTRN-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-134329
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)c1ccccc1)C)C(=O)N	PC-id_55487726	425.544	QQYICXGGKWMXCL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134330
c1(NC(=S)NCc2ccc(cc2)S(=O)(=O)N)sc2c(CCC2)c1C(=O)OC	TIMTEC533899,ZINC22_2853833,EMOLS-id_2003381,MCULE-3797498946,PC-id_2207504,ChEMBL-DNDi_CHEMBL7800178,CoCoCo_6819340	425.545	WTJIUUVZHFNBFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134331
CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1	MCULE-7174585583,CoCoCo_3115714,ZINC22_2653469,PC-id_2116864,BindingDB-id_94426,EMOLS-id_3225140,BindingDB_PC-id_2116864,CHEMBL1459571,CHEBI:109045,ChEMBL-DNDi_CHEMBL1459571	425.545	KJLSJERLCUZMDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134332
NC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)sc2CCCc12	EMOLS-id_16349207,MCULE-2582475787,PC-id_22582901	425.545	KCZRSPZWQPITSV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-134333
O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2590316,PC-id_92498440	425.545	KCZRSPZWQPITSV-LLVKDONJSA-N	00000010100100000000000010000000000000000000000000000000	25-01-134334
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)Nc1sc2c(c1C(=O)N)CCC2	PC-id_92498439,CoCoCo_2590317	425.545	KCZRSPZWQPITSV-NSHDSACASA-N	00000010100100000000000010000000000000000000000000000000	25-01-134335
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC)cc1)C(=O)OC	PC-id_19680135	425.545	YNGMZHMMNKUFJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134336
S1(=O)(=O)C[C@@H](NC(=O)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)CC)CC1	PC-id_2453483	425.545	LLRMNEKSKRRGFT-LBPRGKRZSA-O	00000010100000000000000010000000000000000000000000000000	25-01-134337
S1(=O)(=O)C[C@H](NC(=O)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)CC)CC1	PC-id_2453486	425.545	LLRMNEKSKRRGFT-GFCCVEGCSA-O	00000010100000000000000010000000000000000000000000000000	25-01-134338
S1(=O)(=O)CC(NC(=O)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)CC)CC1	PC-id_78274332	425.545	LLRMNEKSKRRGFT-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-134339
c1(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cscn3)c2)c2CCCc2[nH]n1	ChEMBL-DNDi_CHEMBL18405964,MCULE-5479923628,EMOLS-id_20446439,PC-id_45181135	425.547	GJXPTFYGSIJAIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134340
C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2cscn2)c1	CoCoCo_1195336,CoCoCo_1195338,PC-id_42170307,CoCoCo_1195340,ZINC22_11789640,CoCoCo_1195334	425.547	GJXPTFYGSIJAIG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134341
C[C@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2cscn2)c1	CoCoCo_1195339,CoCoCo_1195337,ZINC22_11789641,PC-id_42170309,CoCoCo_1195335,CoCoCo_1195341	425.547	GJXPTFYGSIJAIG-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134342
CCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1OC)C	SCHEMBL11603284,PC-id_20351571	425.56	UZSVEQXNONGTPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134343
S1(=O)(=O)C[C@H](N(C2CCCCC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_7291974	425.562	USMYXNITGVNWGQ-MRXNPFEDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-134344
S1(=O)(=O)C[C@@H](N(C2CCCCC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_7291975	425.562	USMYXNITGVNWGQ-INIZCTEOSA-N	00000010100010000000000010000000000000000000000000000000	25-01-134345
S1(=O)(=O)CC(N(C2CCCCC2)C(=O)COC(=O)c2sc3c(CCC3)c2)CC1	PC-id_45637971	425.562	USMYXNITGVNWGQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-134346
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)CC=Cc1ccccc1	MCULE-3704631398	425.565	NHAPQUIMUSRYMA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134347
O=C(N1CCN(C/C=C/c2ccccc2)CC1)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328338847	425.565	NHAPQUIMUSRYMA-MDWZMJQESA-N	00000010100010110001000010000000000000000000000000000000	25-01-134348
s1c2c(CCC2)c(c1NC(=O)CCCSC1NC(CC(=O)N1)C)C(=O)OCC	PC-id_72662832	425.565	ZNLIDRYLCYNTNY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-134349
s1c2c(CCC2)c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C(=O)OCC	PC-id_78317042	425.565	NTUDKWMWPNEUJE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-134350
s1c2c(CCC2)c(c1NC(=O)C(SC1NC(CC(=O)N1)CC)C)C(=O)OCC	PC-id_78497045	425.565	ZXQWPCAPYCQSIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-134351
c1(NC(=O)c2sc(nc2C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3330686152,EMOLS-id_334333600	425.567	FBLGUZNTYMHSHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134352
CN(C)[C@H]1Cc2cc(nn2C1)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1	MCULE-5718548493,EMOLS-id_316326197	425.567	VFRHXEASYWIQJH-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134353
n12CC(Cc1cc(C(=O)NCCCOC1CCN(CC1)Cc1ccccc1)n2)N(C)C	MCULE-3611238833	425.567	VFRHXEASYWIQJH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134354
O=C(Cc1sc2c(c1C(=O)C)CCC2)CSc1nnc(n1C)c1ccc(cc1)C	PC-id_141677304	425.567	QTNUPEGIAJRJFD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134355
O(CC(CCCCCCCC)CCCCCC)C(=O)c1c2n(N=NC2C#N)cc1[N+]#[C-]	PC-id_76103625	425.567	OOHPZDGQQVLTRY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-134356
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)CCOc1ccccc1)C#N	PC-id_36041315	425.567	QFHSHSQDYACXSK-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-134357
s1cc(C[NH+](Cc2cc(OC(CNC(=O)c3n[nH]c4CCCc34)C)ccc2)C)cc1	PC-id_74806445	425.567	OPWYJCANLDKKDT-UHFFFAOYSA-O	00000010100100110001000010000000000000000000000000000000	25-01-134358
s1cc(C[NH+](Cc2cc(O[C@H](CNC(=O)c3n[nH]c4CCCc34)C)ccc2)C)cc1	PC-id_42472447	425.567	OPWYJCANLDKKDT-INIZCTEOSA-O	00000010100100110001000010000000000000000000000000000000	25-01-134359
s1cc(C[NH+](Cc2cc(O[C@@H](CNC(=O)c3n[nH]c4CCCc34)C)ccc2)C)cc1	PC-id_42472449	425.567	OPWYJCANLDKKDT-MRXNPFEDSA-O	00000010100100110001000010000000000000000000000000000000	25-01-134360
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)N(CC)CC	PC-id_16597859	425.569	LTXZSWDRACFGDC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-134361
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)OC)N1CCCCC1	PC-id_111020363	425.57	JSOSAZFSBPPJHS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134362
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1nc(nc(c1)C)C(C)C)C#N	PC-id_9439444	425.57	DIWHVTDQXWLZRP-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-134363
C1(CCCCC1)(c1ccccc1)CCC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4312674325,EMOLS-id_328206624	425.584	WNCGWVDJZJCCNZ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-134364
CCCCCc1n2CCSc2c(c1COC(=O)NC(C)C)COC(=O)NC(C)C	SCHEMBL5319372,PC-id_69403119	425.585	MJORSADOSIIVHN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134365
c1(c2CCCc2sc1NC(=O)CN1CCCC(C)C1)C(=O)Nc1ccc(cc1C)C	MCULE-2974550734,PC-id_3745131,EMOLS-id_2785156	425.587	RCKWVADTESWWOU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134366
c1(c2CCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccc(cc1C)C	PC-id_1328322,ZINC22_4845117,EMOLS-id_2184516,CoCoCo_865979,MCULE-1014729879	425.587	FUAGTXMMQJHJRA-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-134367
Cc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@H](C)C3)sc3c2CCC3)c(C)c1	ZINC22_4554264,CoCoCo_6723766,CoCoCo_6723768,PC-id_7280540	425.587	RCKWVADTESWWOU-INIZCTEOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134368
Cc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@@H](C)C3)sc3c2CCC3)c(C)c1	ZINC22_4554268,CoCoCo_6723769,CoCoCo_6723767,PC-id_7280545	425.587	RCKWVADTESWWOU-MRXNPFEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134369
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)CC=C)C(=O)c1c(cccc1)C	PC-id_7404084	425.587	LLCFSPXUZSGDHA-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-134370
s1c2c(nc1NC(=O)c1ccc(cc1)C)C(C(=O)NC1CC(CC(C1)C)(C)C)CC2	PC-id_16947527	425.587	AYNJVWXQZOMDHU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134371
c1(NC(=O)CSc2scc(c3ccc(cc3C)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_324887076,MCULE-2176820725	425.59	MFZJGIMXXBYLQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134372
c1(NC(=O)CSc2scc(c3ccc(cc3)CC)n2)sc2c(CCC2)c1C#N	EMOLS-id_324897053,MCULE-3942197441	425.59	XIWPDDZSHBUWER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134373
c1(NC(=O)CSc2scc(c3cc(C)ccc3C)n2)sc2c(CCC2)c1C#N	MCULE-9381339785,EMOLS-id_324915792	425.59	XHPZXUAEMYUYKB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134374
c1(NC(=O)CSc2scc(c3ccc(C)c(C)c3)n2)sc2c(CCC2)c1C#N	MCULE-8278960364,EMOLS-id_324893720	425.59	UCGBDVHVLCPMGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134375
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1	PC-id_140882964	425.599	FZLZUKJNQNDWHV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-134376
c1(NC(=S)NNC(=O)CCCCCCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-1202443184,CoCoCo_6797566,PC-id_4508590,EMOLS-id_4109174,TIMTEC591830	425.608	ZFWSOIWLJDQHCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134377
O=C(c1sc2c(c1)CS(=O)(=O)C2)NCCCN1CCN(CC1)C1CCCCC1	PC-id_20882736,CoCoCo_2175374,CoCoCo_2175375	425.608	PICOJRMXZUEVHS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-134378
SNc1sc2c(c1C(=N)NCCN1CCN(CC1)C(=O)OC(C)(C)C)CCC2	SCHEMBL19444691	425.612	AAWGIOJTMCBWRE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-134379
CN(CCN(c1ccccc1)Sc1cc(C)nc(c1)Nc1sc2c(n1)CCC2)C	PC-id_144988252	425.613	BFJNXYGSFSOZDL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-134380
c1(NC(=O)C(C)Oc2ccc(cc2Br)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322627137,MCULE-1481713811	425.727	VFISUVONALXZCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134381
Clc1c(NCCc2n3CCCc3nn2)cnn(c1=O)c1ncc(cc1)C(F)(F)F	PC-id_78857918	425.796	MBNUKTJRWRCKPI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-134382
Cc1cn2C=C(Cc2c1C(=O)C(=O)NC1(CC1)C#C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19900925,PC-id_134285213	425.84	GLHNUXJQXZFAAT-UHFFFAOYSA-N	00100011100000110000000010000000000000000000000000000000	25-01-134383
Clc1ccc(C(=O)C2S(=O)(=O)Cn3c2c(c(c3C)C(=O)OC)C(=O)OC)cc1	PC-id_11304842	425.84	XHKGQTWWFFQQTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134384
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)Cl)Nc1nc(NCC)ncc1F	PC-id_59333963,SCHEMBL3326773	425.845	GYKVBCLABLJJEP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-134385
Clc1c(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(F)ccc1	PC-id_41784256	425.858	HUVOSTOLHQNLHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134386
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(F)c1	PC-id_16529416	425.858	FBEODIXHMUKYHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134387
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(F)ccc1	PC-id_16540714	425.858	GROQGNKVRUCAGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134388
Clc1nc(Nc2n[nH]c3C(N(Cc23)C(=O)C2(F)CCN(CC2)C)(C)C)c(F)cn1	SCHEMBL3327595,PC-id_59333922	425.863	QMVBHBJGKFFUCK-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-134389
Clc1c(C(=O)NC2CCC(CC2)Cn2nc3c(c2)CCC3)cc(cc1)C(F)(F)F	PC-id_67380345,BindingDB_PC-id_67380345	425.875	NVMLZAHNDZRDTM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134390
Clc1c(C(=O)NC2CCC(CC2)Cn2ncc3c2CCC3)cc(cc1)C(F)(F)F	PC-id_53358857,BindingDB_PC-id_53358857	425.875	KAUBLHQZGOJOTO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134391
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2cc3CCCc3n2)CC1	BindingDB-id_264211,SCHEMBL2365032	425.875	NVMLZAHNDZRDTM-SAZUREKKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134392
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2ncc3CCCc23)CC1	BindingDB-id_264210,SCHEMBL2321839	425.875	KAUBLHQZGOJOTO-SAZUREKKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134393
Clc1c(n(nc1C)CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	CoCoCo_1953169,PC-id_4099703	425.886	LXEFQWKWBQSBFW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134394
COc1ccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_27022613	425.888	QQSSTNRKEOOCOU-PDDUZAPNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134395
COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	ZINC22_16735449,EMOLS-id_45966229	425.888	QQSSTNRKEOOCOU-AWTFBBCTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134396
COc1ccc(OC)c(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_27022619	425.888	FNBIQOWTSCNFNM-UKUQBLRASA-N	00000000100000110001000010000000000000000000000000000000	25-01-134397
COc1ccc(OC)c(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_45964807,ZINC22_16735168	425.888	FNBIQOWTSCNFNM-ORWCDEBVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134398
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-1523911002	425.888	YYLBKEZYLFIRKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134399
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4641691502	425.888	WLDPMMAGNMEQRI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134400
n12nc(nc1sc(=Cc1ccc(cc1OC)OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4980493400	425.888	OCLUDEIBSGESKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134401
n12nc(nc1sc(=Cc1cccc(Cl)c1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9278124251	425.888	HDTBKTTUMBJMHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134402
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-1101052808	425.888	KEOVCPGWELCWAP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134403
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-3410085374	425.888	QQSSTNRKEOOCOU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134404
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8733409367	425.888	FNBIQOWTSCNFNM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134405
Clc1ccc(cc1)C(=O)CCC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109293	425.908	MBSAPELYHLNPFA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134406
c1(NC(=S)NNC(=O)c2cc(Cl)ccc2O)sc2c(CCC2)c1C(=O)OC	PC-id_4508766,TIMTEC444248,EMOLS-id_4109340,MCULE-4994257004,CoCoCo_6797581	425.91	SDJDBSYZFSUHKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134407
c1(c2CCCc2[nH]n1)C(=O)N1CCC(C1)c1cc([nH]n1)CCOc1ccc(cc1)Cl	EMOLS-id_188549,BDE-24976743,MCULE-4762549784,PC-id_110261408	425.911	ZKKUHHDSLPUJRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134408
CCCCOC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cnn2c1CCC2	PC-id_141731702	425.911	PKBHKRFLWWIUPC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-134409
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1	PC-id_95831616,ZINC22_72371506	425.911	ZKKUHHDSLPUJRC-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134410
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1	ZINC22_72371505,PC-id_95831615	425.911	ZKKUHHDSLPUJRC-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134411
Cc1csc2nc(Cl)c(/C=c/3sc4nc(/C=C/c5ccccc5)nn4c3=O)n12	EMOLS-id_324917512	425.914	ARUGNIHPBUYZQL-ZHCWNNSNSA-N	00000000100000110001000110000000000000000000000000000000	25-01-134412
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)C=Cc1ccccc1	MCULE-3592925657	425.914	ARUGNIHPBUYZQL-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-134413
CCOC(=O)c1c(NC(=O)C[N@H+](Cc2c(F)cccc2Cl)C)sc2c1CCC2	GD-id_ZINC03389746,PC-id_2507933	425.925	DNTYHRIVGIOEDW-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-134414
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_5686964,CoCoCo_5065643,MCULE-4599114319,ZINC22_8910080,CHEMBL1552381,ChEMBL-DNDi_CHEMBL1552381,PC-id_24892682	425.93	IXYROXPXELZPHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134415
c1(NC(=O)c2cccc(Cl)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331820,MCULE-4687607021	425.931	KVABGBCNHQJSHH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134416
c1(NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334333602,MCULE-9416712571	425.931	YNEGFQZLOGRODM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134417
c1(NC(=O)c2ccc(nc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1551331069,EMOLS-id_334330285	425.931	ZNRTUPUKPVSJCC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134418
c1(NC(=O)c2ccnc(Cl)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330029,MCULE-1945930052	425.931	SFEXCCUEFMEGKY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134419
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2Cl)n(C)nc2CSCc12	MCULE-2669696891	425.931	GFALRGORZVUELM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134420
CC(C)(C)c1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324882436	425.931	OMOZZBWCTPUQDD-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134421
CC(C)(C)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324844792	425.931	OOHQVFNYBDTXGL-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134422
Clc1ccc(CCNC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)cc1	PC-id_16947150	425.931	JZRYSLLAPVWJGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134423
Clc1ccc(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)cc1	PC-id_16947539	425.931	QFYQPTRZXBUSLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134424
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(cc2)CC)cc1	PC-id_16947400	425.931	XVOHWRKGQKXFOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134425
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(c(ccc2)C)C)cc1	PC-id_16947427	425.931	KINXLRXYCQESKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134426
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(cc(cc2)C)C)cc1	PC-id_16947428	425.931	MFSMPKYOUFMJHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134427
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(ccc(c2)C)C)cc1	PC-id_16947429	425.931	MWRISKIXTZVCNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134428
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(c(cc2)C)C)cc1	PC-id_16947430	425.931	NGIGGGYIUJFXOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134429
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(cccc2C)C)cc1	PC-id_16947431	425.931	LLAXJBINHAQHNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134430
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(cc(c2)C)C)cc1	PC-id_16947432	425.931	SXHPFZFZFPDULN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134431
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(CC)cccc2)cc1	PC-id_16947399	425.931	FARQYGJUWMRUPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134432
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2ccc(cc2)C)cc1	PC-id_16947377	425.931	FQVOWHSUJLOBPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134433
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NC(c2ccccc2)C)cc1	PC-id_16947379	425.931	FWMCRSWNAURCKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134434
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCc2ccccc2)cc1	PC-id_16947385	425.931	LTSQWIPJZYXSHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134435
Clc1c(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)ccc1)C	PC-id_16947598	425.931	YJYFNQCOCCAFKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134436
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)c(cc1)C	PC-id_16947599	425.931	GSPXSDCTLJSKQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134437
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)ccc1C	PC-id_16947600	425.931	JVAAJRLQQHTEBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134438
Clc1c(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)cccc1	PC-id_16947532	425.931	SNFCNWNZTACXQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134439
Cn1nc2CSCc2c1NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1	EMOLS-id_334561720	425.931	GFALRGORZVUELM-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134440
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1ccccc1Cl	MCULE-3281573593	425.931	OMOZZBWCTPUQDD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134441
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1ccc(Cl)cc1	MCULE-3378268650	425.931	OOHQVFNYBDTXGL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134442
O=C(CN(C(=O)c1sc2c(c1)CCC2)Cc1cccnc1)Nc1ccc(cc1)Cl	PC-id_86940992	425.931	WUTCCSFJPSOOOX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134443
c1(NC(=O)c2c(Cl)cnc(SCCC)n2)sc2c(CCC2)c1C(=O)OCC	ZINC22_9431831,EMOLS-id_2637034,ChEMBL-DNDi_CHEMBLD054-0490,PC-id_16435225,CoCoCo_2210167,TIMTEC117591,MCULE-4608846559	425.953	DCWYLHAGOJFPLJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-134444
Clc1ccc(cc1C(=O)Nc1nc2CCCc2s1)S(=O)(=O)N1CCCCC1	MCULE-6999957977,EMOLS-id_334661336	425.953	VQUIWTHFVOCOGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134445
Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCc2s1	MCULE-1257951683,PC-id_24242373,EMOLS-id_17194324,ZINC22_15636746,CoCoCo_4164214	425.953	KNPILIRPXGUVTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134446
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_16828943	425.953	YRBORBIHDHTPIY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134447
Clc1c(S(=O)(=O)N2CCCCC2)cc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_26723069	425.953	WKVBYHRMIWTPGI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134448
Clc1snnc1COC(=O)c1c2CCCc2sc1NC(=O)C1CCCCC1	PC-id_55422650	425.953	KKQSLKVUWADPOA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-134449
CC[C@@H]1N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)C	SCHEMBL18367915	425.974	WGFAIMIEPKWIJT-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-134450
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cc1ccccc1	SCHEMBL18367923	425.974	MRZHRCGKBHYTGP-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134451
C1CC2=CSC(=C2C1)C(=O)CC(C3=CC(=C(C(=C3)Cl)F)Cl)(C(F)(F)F)O	PC-id_153954107	425.987	RBEWHUCQWYPATA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134452
c1(CN(C2CCCC2)C(=O)C2(CCCC2)c2ccc(Cl)cc2)c2CCCc2n(C)n1	MCULE-1532823251,EMOLS-id_50145322,PC-id_86266577	425.994	QPPRQVMCMZUPTO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134453
O=C(OCCBr)N(C(=O)OCCBr)c1onc2c1CCC2	CHEMBL183664,PC-id_44391654	426.058	YNBXZNVFJSYESA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134454
COC1=CC=C(C=C1)CC2=C(N3[C@H](S2)/C(=CC4=CN5CCSC5=N4)/C3=O)C(=O)[O-]	PC-id_154423268	426.059	QXRVVHDXLZXHML-GIIHOQTISA-M	00001011100000110001001010000000000000000000000000000000	25-01-134455
n12c(=O)c(=Cc3ccc(c(c3)N(=O)=O)Cl)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-9074108088	426.062	HKBQEIZWIKGDBD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134456
[O-][N+](=O)c1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)ccc1Cl	EMOLS-id_324914691	426.062	HKBQEIZWIKGDBD-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134457
Brc1sc(Br)c2c1C(CC2=O)C(C(=O)OC)C(=O)OC	PC-id_399785	426.078	PKVHYYOFMBUTSA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134458
COC(=O)C([C@H]1CC(=O)c2c1c(Br)sc2Br)C(=O)OC	CoCoCo_5777806	426.078	PKVHYYOFMBUTSA-BYPYZUCNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134459
COC(=O)C([C@@H]1CC(=O)c2c1c(Br)sc2Br)C(=O)OC	NSC710880,CoCoCo_5777805	426.078	PKVHYYOFMBUTSA-SCSAIBSYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134460
CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC(=O)NC3=C(C4=C(S3)CCC4)C#N	EMOLS-id_317343016,PC-id_154774300,MCULE-1203881371	426.082	GRMKSGQHYCOMID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134461
COC1=CC=CC=C1NC(=O)C2CC3=C(NN=C3S2)NC(=O)CC4=CC=C(C=C4)F	PC-id_153834612	426.116	VQLFZUZAXPXEPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134462
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)CO)C(=O)NC3=CC(=NC=C3)C(F)F	PC-id_155278737	426.117	ZRPLTDPHQABHIU-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-134463
CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N	PC-id_161031053	426.118	RKWIVIGMCSZQIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134464
Brc1ccc(Br)c(c1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327755959,MCULE-8304990558,PC-id_114370557	426.126	SIKDOWSIISCDOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134465
N#Cc1c(NC(=O)c2cc(Br)cc(c2)Br)sc2c1CCC2	PC-id_103910097	426.126	QNHIEBOPLXEMKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134466
N#Cc1c(NC(=O)c2ccc(cc2Br)Br)sc2c1CCC2	PC-id_103886246	426.126	HPVJYAVGPFBGSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134467
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)F)NC(=O)OCC4=CC=CC=N4	PC-id_151127513	426.15	MTNAGZWSAVGYDX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134468
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])CN3CCC(CC3)C4=CC=C(C=C4)OC(F)(F)F	PC-id_151766218	426.151	RRQDAMBLVXGXDL-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134469
CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)[O-])C(=O)[O-]	PC-id_153863605	426.166	YBSFNQBROFGBAE-UHFFFAOYSA-L	00000010100010110001100010000000000000000000000000000000	25-01-134470
Ic1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)O)C	SCHEMBL18498410	426.227	DNOHTVSPTZOONS-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134471
Ic1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)O)C	SCHEMBL18498412	426.227	DNOHTVSPTZOONS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134472
Brc1cc(F)c(Nc2n(c3c(CCC3=O)c2C(=O)NOCCO)C)cc1	SCHEMBL4789191,PC-id_25125508	426.237	HQJYMKHMFMBTSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134473
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(CC(C4)C(C)F)C(=N3)C(=O)C)C	PC-id_153600175	426.243	JSNYUCBBABADOI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134474
CCN(CC)C1=NC(=C(C=C1)N=C2C(=NN3C2=NN=C3C(C)NCCC(=O)OC)C)C	PC-id_147665799	426.249	GMGSNCCPHUXWBG-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-134475
c1(NC(=O)c2ccccc2I)sc2c(CCC2)c1C(=O)NC	MCULE-3550337936,EMOLS-id_16349165,ZINC22_9599751,PC-id_18561003,CoCoCo_2590293	426.272	QKSPUMKPEKGNLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134476
CCCCCCCCc1c(Br)sc2c1SC(C2C)Br	SCHEMBL19490008	426.273	LIBSWWONCRQKBO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-134477
c12sc(NC(=O)Cn3c(C)c(I)c(C)n3)c(C#N)c1CCC2	EMOLS-id_6819657,TIMTEC290950,MCULE-4541453218,PC-id_5296960,ZINC22_12372162	426.275	LOEKYNOSSZUPNY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134478
c1(NC(=O)CCn2c(C)c(cn2)I)sc2c(CCC2)c1C#N	EMOLS-id_4109550,ZINC22_2780847,TIMTEC136645,PC-id_17020793,MCULE-6410715121,CoCoCo_6579973	426.275	DYEGOIZEUKNAEJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134479
c1(NC(=O)CCn2cc(c(C)n2)I)sc2c(CCC2)c1C#N	ZINC22_2781192,PC-id_4771570,EMOLS-id_4109548,TIMTEC507639,CoCoCo_6580126,MCULE-8215591937	426.275	VQALABRBHHCHDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134480
Brc1cc2n(CC(C2(C(=O)c2ccc(S(=O)(=O)C)cc2)C(=O)O)C)c1	PC-id_20528172,SCHEMBL11275136	426.282	FBGWEGNMYUAWIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134481
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)OC)cc2S(=O)(=O)C)cc1	PC-id_14570930,SCHEMBL10812050	426.282	ZMMLNJLDVNSHQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134482
c1(NC(=O)NN=Cc2ccc(Br)o2)sc2c(CCC2)c1C(=O)OCC	MCULE-8929131779,PC-id_19169878	426.285	TZOTWECZEOHISW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-134483
Cc1c(Br)c[nH]c(=O)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-6036660788,EMOLS-id_328221814	426.306	GFXFJFNBGFZVCV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134484
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-8742642019,EMOLS-id_334328275	426.317	BLFUYTWRCPCVOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134485
c1(NC(=O)NN=Cc2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-8043996990,PC-id_73551135	426.317	BGIWDRCVQQAIQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134486
c1(NC(=O)NN=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_73549959,MCULE-8859286797	426.317	CPEIRHJLXNWBNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134487
Clc1c(/C=N/NC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_19168819	426.317	CPEIRHJLXNWBNU-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134488
Clc1c(/C=N/NC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_19172688	426.317	BGIWDRCVQQAIQB-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134489
Cc1ccc(CCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	EMOLS-id_324904973	426.33	BEMPLOIQWDIIHT-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-134490
Cc1ccc(CCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_324908032	426.33	HEUYOSOXZQZTHW-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-134491
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCc1ccc(cc1)C	MCULE-5492399397	426.33	HEUYOSOXZQZTHW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134492
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)CCc1ccc(cc1)C	MCULE-8937308532	426.33	BEMPLOIQWDIIHT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134493
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2	PC-id_22778423,ZINC22_17094754	426.34	RZUOSEYAFYQWSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134494
C(C)(C)(C(=O)Nc1sc2CCCc2c1C(=O)OCC)c1ccc(Cl)cc1Cl	MCULE-4526140394,EMOLS-id_328257310	426.357	IVSUTVRUPAXEQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134495
Clc1cc(CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)ccc1Cl	PC-id_24506834	426.36	YUWWQONRZAQEPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134496
Clc1c(CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1Cl	PC-id_24506903	426.36	FBCHREGKFNBKQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134497
Clc1c(CN([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1Cl	PC-id_26303322	426.36	FBCHREGKFNBKQZ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134498
Clc1c(CN([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1Cl	PC-id_26303324	426.36	FBCHREGKFNBKQZ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-134499
Clc1c(C(=O)NC(CC(C)C)C(=O)Nc2sc3CCCc3n2)ccc(Cl)c1	PC-id_75859733	426.36	SHOUMKXGXDLQCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134500
Clc1c(C(=O)N[C@@H](CC(C)C)C(=O)Nc2sc3CCCc3n2)ccc(Cl)c1	PC-id_52498301	426.36	SHOUMKXGXDLQCP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134501
Clc1c(C(=O)N[C@H](CC(C)C)C(=O)Nc2sc3CCCc3n2)ccc(Cl)c1	PC-id_52498302	426.36	SHOUMKXGXDLQCP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134502
Clc1c(OCC(=O)N2CCN(CC2)Cc2sc3CCCc3n2)ccc(Cl)c1	PC-id_44060309	426.36	ARXMXIAEMWUDBM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134503
Brc1cc(sc1)c1scc(n1)CC(=O)Nc1sc2CCCc2n1	PC-id_52691601	426.374	AFJWCFSNDPEMER-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-134504
FC(F)(F)c1ccc(OC2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_10251858,SCHEMBL5535209	426.39	AWDXPROPYRAKLT-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134505
FC(F)(F)c1ccc(OC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5535213,PC-id_10432579	426.39	AWDXPROPYRAKLT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134506
FC(F)(F)c1ccc(OC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5542567,PC-id_10071100	426.39	AWDXPROPYRAKLT-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134507
FC(F)(F)c1ccc(NN2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081248,SCHEMBL5535426	426.393	ILCXQBRGMWDZKZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134508
FC(F)(F)c1ccc(NN2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5535422,PC-id_69479320	426.393	ILCXQBRGMWDZKZ-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134509
COCCn1nc2c(c1)CN(C2)C(=O)Nc1nc(ccc1[N+](=O)[O-])c1ccccc1F	PC-id_142527803	426.401	UGXXWIQQAVMZAL-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-134510
COc1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324841718	426.403	VQRBQHQGYYMOTH-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134511
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1ccccc1	MCULE-1690445547	426.403	VQRBQHQGYYMOTH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134512
c1(c2CCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1cccc(c1)C(F)(F)F	CoCoCo_6832239,PC-id_17377358,MCULE-5109099584,EMOLS-id_4109757,TIMTEC125823,ZINC22_17094786	426.409	DLZNEMYDBPLGGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134513
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	PC-id_51451971,ZINC22_9070606	426.409	VSDZQUZKNFIAQN-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-134514
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	PC-id_51451972,ZINC22_9070613	426.409	VSDZQUZKNFIAQN-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134515
CCOC(=O)c1c(NC(=O)c2cccc(NC(=O)C(F)(F)F)c2)sc2CCCc12	EMOLS-id_327992246,MCULE-3070320451	426.409	GMOVKHQHJULIML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134516
CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)sc2CCCc12	EMOLS-id_327958479,MCULE-9541379033	426.409	WOYWSEPGFXKQFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134517
NC(=O)c1c(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1CCC2	CoCoCo_2933826,MCULE-6360096885,EMOLS-id_3489033,PC-id_3359619,ZINC22_9585260	426.409	DCMOEIKCDYQNDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134518
OC1CN(C1)C(=O)c1c(sc2c1C(C)OC2)NC(=O)c1ccccc1C(F)(F)F	PC-id_69187270,SCHEMBL4781546	426.409	KCEFGAUSQZGYOY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-134519
O=C(Nc1ccc(c(c1F)F)F)CNC(=O)C(OC(=O)c1sc2c(c1)CCC2)C	EMOLS-id_31833187,PC-id_45637986,MCULE-3331270255	426.409	VSDZQUZKNFIAQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134520
s1c(N/N=C/2c3n(N=C2C)c(nn3)Cc2cc(cc(c2)C(=O)O)C(=O)O)nnc1C	PC-id_58827783	426.409	LHBZESOJHFVVQF-MOSHPQCFSA-N	00000011100000110001000010000000000000000000000000000000	25-01-134521
s1c(NN=C2c3n(N=C2C)c(nn3)Cc2cc(cc(c2)C(=O)O)C(=O)O)nnc1C	PC-id_71204899	426.409	LHBZESOJHFVVQF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-134522
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)cc1	EMOLS-id_324910599	426.413	RHMWGUUNDALKBO-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-134523
n12c(=O)c(=Cc3ccc(cc3)OCC(=O)N(CC)CC)sc1nc(C(F)(F)F)n2	MCULE-1753583989	426.413	RHMWGUUNDALKBO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134524
Cc1c(n2CCCc2c1C(=O)C(=O)NC(=C)CCC#N)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20259534,PC-id_134604974	426.416	NJBUKXPPWGMOKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134525
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(F)cc1	ZINC22_256055401,PC-id_117588517	426.421	FPSXBUGYLSNGDT-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134526
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccc(cc1)F)c2=O	MCULE-9899170419	426.421	FPSXBUGYLSNGDT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134527
O=C(c1ccc(cc1)Oc1ccccc1)Nc1n[nH]c2c1CN(C2)C(=O)c1cnccn1	SCHEMBL2924742,PC-id_10113236	426.427	MZPWGRHUNGSZSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134528
c1(NC(=O)C(=O)NCc2c(cccc2F)F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-5868649173,ZINC22_10250681,CoCoCo_5190626,PC-id_18586569,EMOLS-id_5625852	426.438	LPQPBYYMOUUECM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134529
CCOC(=O)c1c(NC(=O)c2ccc(c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2	ZINC22_35177620,PC-id_4579830	426.442	WMVCZFYXNQWJNJ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-134530
COC(=O)c1c(NC(=O)COC(=O)c2ccc(c3cnco3)cc2)sc2c1CCC2	ZINC22_919499339	426.442	ZSRLDKFJZCLTFU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134531
c12c(CCC1C(=O)OCC)sc(NC(=O)c1coc(NC(=O)c3ccccc3)n1)n2	EMOLS-id_32272526,MCULE-4357093973,PC-id_52993085	426.446	XELBGQFLZLELOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134532
c1(N(=O)=O)nn(c(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1)Cc1ccccc1	ZINC22_672874,PC-id_1012063,MCULE-7852225651,CoCoCo_5823896,SPECS-id_AK-968/15252697,EMOLS-id_4109825,TIMTEC231978	426.446	JASRLHQUFSIVEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134533
Cc1cncc(n1)Oc1cc(ccc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	PC-id_89238448,SCHEMBL14057196	426.446	AXPCJFVIAMBTLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134534
Cc1cncc(n1)Oc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	SCHEMBL14057023,PC-id_89238296	426.446	XHCCXAHEVCAKSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134535
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3coc(NC(=O)c4ccccc4)n3)nc12	PC-id_52907914,ZINC22_62023013	426.446	XELBGQFLZLELOF-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134536
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3coc(NC(=O)c4ccccc4)n3)nc12	ZINC22_62023014,PC-id_52907915	426.446	XELBGQFLZLELOF-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134537
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N	PC-id_3291392	426.446	ZWYQCVHHEXEGJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134538
s1c2c(CCC2)c(c1Nc1nc(NCc2cccnc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127473	426.452	LWQKRQIILRBGLQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-134539
s1c2c(CCC2)c(c1Nc1nc(NCc2ncccc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127559	426.452	SYLUXZGYXCKGDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-134540
c1(NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388763,MCULE-7663941266	426.453	ULFXTANZNOJTFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134541
c1(NC(=O)c2ccccc2C(F)(F)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389779,MCULE-6480169106	426.453	HEPMLBMORYGVQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134542
COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCC2	EMOLS-id_3540472,CoCoCo_3216799,PC-id_16262030,MCULE-2137287912,ZINC22_9223371	426.453	XGXOKPKHTAEZTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134543
CCc1nn2C(=O)C(Sc2n1)[C@@H](c1cc(ccc1)C(F)(F)F)N1CCC(CC1)O	PC-id_134715956	426.456	SPTDPEQRODLJRH-AAFJCEBUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134544
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(SC(F)F)cc1)C(=O)N	PC-id_41652758	426.457	BBXYLEAOQZGTPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134545
CCOC(=O)CC(NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc12)C(=O)OCC	PC-id_25154847,CHEMBL456503	426.462	IZIFVKYBHZRSNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134546
O=C(N[C@@H](CC(=O)OCC)C(=O)OCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_25148430	426.462	IZIFVKYBHZRSNF-DJNXLDHESA-N	00000010100000110000000010000000000000000000000000000000	25-01-134547
CCOc1ccccc1NC(=O)Nc1nc2c(s1)CN(C2=O)Cc1ccc(cc1)F	PC-id_53188480,MCULE-8438390623,EMOLS-id_33030424	426.464	JVJWMZQSVANNEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134548
COc1ccc(cc1NC(=O)Nc1sc2c(n1)C(=O)N(C2)Cc1ccc(cc1)F)C	EMOLS-id_33030432,MCULE-6558929240,PC-id_53188484	426.464	UQPCVVUYKGSFSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134549
O=C(n1nc(NC(=O)c2ccc(OC)cc2)c2c1CN(C2)C(=O)OC(C)(C)C)C1CC1	PC-id_71476942	426.466	VRCGDTBBENCOGA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-134550
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C1CC1)c1ccc(cc1)OC	PC-id_141257317	426.466	GXBLTPSYGNZRKZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-134551
c1(NC(=O)COc2ccc(cc2N(=O)=O)c2cscn2)sc2c(CCC2)c1C#N	MCULE-7581237325,EMOLS-id_323567924	426.469	PYMIUFFIFCDRJC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134552
c1(NC(=O)c2ccc(cc2F)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334334626,MCULE-9412629534	426.479	IKSKRPHZLUKQKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134553
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331306,MCULE-6054003516	426.479	MJPCHAAJQICEBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134554
c1(C(F)F)c2CCCc2n(CC(=O)N(CCC)c2nc(C)c(C(=O)OCC)s2)n1	ZINC22_36614104,EMOLS-id_8867868,TIMTEC360352,MCULE-9029667714,PC-id_19591165	426.481	ONPXVPXWVJGDHA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134555
COC(=O)c1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)C)sc2c1CCC2	ZINC22_20567895,PC-id_17200388	426.482	ANLSXXIGGUQYJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134556
COC(=O)c1c(NC(=O)CN(c2cccc(F)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408620648	426.482	QALKRZUHFAJXTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134557
COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408629969	426.482	LKZPGNZHLXRFAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134558
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc(c2ccc(F)cc2)cc1)C#N	PC-id_24456261	426.484	XRXFRFCOXUFVAC-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-134559
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339748,MCULE-7044649811	426.485	CFARCGPHSXIOOS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134560
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8497914155,EMOLS-id_334337444	426.485	ZAJDIQNOSVBQRH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134561
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7319706183,EMOLS-id_334336933	426.485	XWIGNXYARUCMBE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134562
c1(NC(=O)c2cc(on2)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_17014441,ZINC22_27744738,TIMTEC218216,MCULE-1979504717,EMOLS-id_10113757,CoCoCo_2255675	426.485	ILHJQKIXXBWXGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134563
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OCC)C#N)sc2c(CCC2)c1C(=O)OC	PC-id_1185699,MCULE-2282273792	426.485	QGCINVQZNLPENA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134564
c1(NC(=O)C(C)Oc2ccc(cc2)O)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339237,MCULE-2379119262	426.485	RWIDAUHUFLDWIY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134565
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_10105882,CoCoCo_6330227,PC-id_35042963,ZINC22_27663488,MCULE-2138055036,TIMTEC286265	426.485	LIXRLXRNFBUWGK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134566
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8180454322,EMOLS-id_10105486,TIMTEC351382,PC-id_17012703,CoCoCo_6329985,ZINC22_27663160	426.485	ODPUOPJZIZVPEG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134567
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7288299152,EMOLS-id_334340260	426.485	DTZVQSCLNPMTIT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134568
C(=Cc1ccc(OC)c(OC)c1)(C#N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4810349728	426.485	VBWRIMCCRKBWIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134569
CCOc1ccc(cc1OC)/C=C(C(=O)Nc1sc2c(c1C(=O)OC)CCC2)/C#N	EMOLS-id_26283050,CoCoCo_1761458,STOCK2S-77910	426.485	QGCINVQZNLPENA-UVTDQMKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134570
CCOc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCCc3c2C(=O)OC)cc1OC	CoCoCo_1761457,PC-id_1185698,ChemDIV3931-1661,EMOLS-id_26500861	426.485	QGCINVQZNLPENA-GXDHUFHOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134571
CCOC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)CCCC2=O)sc2CCCc12	EMOLS-id_327840497,MCULE-1164067377	426.485	XRLGMEAANXIXCK-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-134572
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)/C#N)sc2CCCc12	EMOLS-id_328124529	426.485	VBWRIMCCRKBWIG-GXDHUFHOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134573
s1c2CCCc2cc1C(=O)OCC1=C([C@H](NC(=O)N1)c1ccccc1)C(=O)OCC	PC-id_41454382	426.485	NTCFGLHOZXBBDJ-LJQANCHMSA-N	00000010100011110001100010000000000000000000000000000000	25-01-134574
s1c2CCCc2cc1C(=O)OCC1=C([C@@H](NC(=O)N1)c1ccccc1)C(=O)OCC	PC-id_41454385	426.485	NTCFGLHOZXBBDJ-IBGZPJMESA-N	00000010100011110001100010000000000000000000000000000000	25-01-134575
s1c2CCCc2cc1C(=O)OCC1=C(C(NC(=O)N1)c1ccccc1)C(=O)OCC	PC-id_24564729	426.485	NTCFGLHOZXBBDJ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-134576
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1c(cccc1)C)C)C(=O)OC	PC-id_19442950	426.485	DBNJXPVNQQMXHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134577
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1cc(ccc1)C)C)C(=O)OC	PC-id_19488245	426.485	GQDDOHSVEVCISG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134578
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1ccc(cc1)C)C)C(=O)OC	PC-id_19488537	426.485	UFWPIVGDMLHCMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134579
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC=C)cc1)C(=O)N	PC-id_24347016	426.485	BAVVMTOSANOAGN-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134580
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(OCC=C)cc1)C(=O)N	PC-id_74263162	426.485	BAVVMTOSANOAGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134581
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)OC)C(=O)O	PC-id_14124316	426.487	JRCKUKQOVOBOBG-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-134582
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)OC)C(=O)O	PC-id_57285415	426.487	JRCKUKQOVOBOBG-XDNBYVIBSA-O	00001011100000000001001010000000000000000000000000000000	25-01-134583
SC[C@@H](C(=O)NCC(=O)[C@@H]1CCn2c1c(CO)cc2)NC(=O)CC[C@@H](C(=O)O)N	PC-id_101933333	426.487	AJDWEQFUGASJEB-AVGNSLFASA-N	00000010100000000000000010000000000000000000000000000000	25-01-134584
c1(NC(=O)c2ccccc2OCC)c2CSCc2nn1CC(=O)NCc1ccco1	ZINC22_23139362,EMOLS-id_24913457,CoCoCo_5277717,PC-id_30862621,MCULE-9705732592	426.489	RTIIVVXDJLDUIL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134585
c1(NC(=O)C(C)Oc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccco1	MCULE-4456688978,EMOLS-id_24913471,PC-id_44053300	426.489	PEBNNLVMPKLGFD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134586
c1(NC(=O)COc2cccnc2NC(=O)OC2CCCC2)sc2c(CCC2)c1C#N	MCULE-2672179411,EMOLS-id_321797670	426.489	ZOFHWACFIZAQIW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134587
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	CoCoCo_3156327,PC-id_2439710,ZINC22_3324235	426.489	JOOAEOYROZAWKQ-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134588
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	PC-id_2439711,CoCoCo_3156328,ZINC22_3324236	426.489	JOOAEOYROZAWKQ-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134589
Cc1noc(C2CCN(C(=O)c3c(NC(=O)c4ccco4)sc4c3CCC4)CC2)n1	ZINC22_1875255489	426.489	PNNFDVIGBUICNL-UHFFFAOYSA-N	00000010101010000001100010000000000000000000000000000000	25-01-134590
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_38853402,ZINC22_31632503	426.489	FABDKCYZBVZMNQ-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134591
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_31632506,PC-id_38853405	426.489	FABDKCYZBVZMNQ-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134592
CCC1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	EMOLS-id_31310226,MCULE-5549838485,PC-id_42990246	426.489	FABDKCYZBVZMNQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134593
C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2	PC-id_30862641,CoCoCo_5277725,ZINC22_23139383	426.489	PEBNNLVMPKLGFD-CQSZACIVSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134594
C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2	ZINC22_23139386,PC-id_30862644,CoCoCo_5277726	426.489	PEBNNLVMPKLGFD-AWEZNQCLSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134595
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cc(nn1C)c1cccc(c1)OC	PC-id_121089528	426.489	IQFCUHWIDBACKF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134596
COc1cccc(c1)S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1ccccc1	EMOLS-id_316319539,MCULE-8626046501	426.489	NKTRBVNDJKYDBC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134597
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)ccc1	PC-id_44053405	426.919	XUUDUCZIOYVMPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134785
COc1ccc(cc1)S(=O)(=O)N[C@H]1Cc2cc(nn2C1)C(=O)NCc1ccccc1	MCULE-6771904170,EMOLS-id_316332336	426.489	VDSDCRBEGMIBAV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134598
C(=O)(OCc1ccccc1)NC(CCC(=O)N)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2878951456,EMOLS-id_328125206	426.489	PHFCKGPLQDEHBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134599
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)NC(C1=O)(C)c1ccc(cc1)C	PC-id_4834854,MCULE-8849974086,EMOLS-id_3321798	426.489	JOOAEOYROZAWKQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134600
O=C(NNC(=O)c1sc2c(c1)CCC2)CNC(=O)c1ccc(cc1)N1CCCC1=O	MCULE-9845161882,EMOLS-id_23675054,CoCoCo_4086494,PC-id_27684740	426.489	AKPQXXTYJOOZSD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134601
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1c(cccc1)C)C)C(=O)N	PC-id_56474730	426.489	PRXRZKASXSDOCK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134602
S1Cc2c(nn(c2NC(=O)c2ccc(OCC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053269	426.489	YIJJJQZZKVFIFT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134603
S1Cc2c(nn(c2NC(=O)Cc2ccc(OC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053307	426.489	QLMKIODRYBPAOW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134604
S1Cc2c(nn(c2NC(=O)COc2c(cccc2)C)CC(=O)NCc2occc2)C1	PC-id_44053303	426.489	HKDQEITVDABCJJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134605
S1Cc2c(nn(c2NC(=O)COc2cc(ccc2)C)CC(=O)NCc2occc2)C1	PC-id_44053304	426.489	BFUYEOHARAPAHZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134606
S1Cc2c(nn(c2NC(=O)COc2ccc(cc2)C)CC(=O)NCc2occc2)C1	PC-id_44053305	426.489	NVPTXPCJVYLDRI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134607
S1Cc2c(noc2NC(=O)CCCn2c(=O)cc(nc2)c2ccc(OCC)cc2)C1	PC-id_49729607	426.489	IOLISSKGNOYXCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134608
S(=O)(=O)(c1ccc(cc1)OC)NC1Cc2n(nc(C(=O)NCc3ccccc3)c2)C1	MCULE-8412725046	426.489	VDSDCRBEGMIBAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134609
S(=O)(=O)(c1cccc(OC)c1)NC1Cc2n(ncc2C(=O)NCc2ccccc2)C1	MCULE-7801090347	426.489	NKTRBVNDJKYDBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134610
S(=O)(=O)(Oc1ccc(C(=O)NCc2n3CCCc3nn2)cc1)c1c(ccc(c1)C)C	PC-id_52547983	426.489	OHPYSUSVKXHQRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134611
c12SCCn1cc(CNC(=O)Cn1cc(cn1)NC(=O)CCOc1ccccc1)n2	PC-id_118755910,EMOLS-id_68886399,ZINC22_299755239,MCULE-6286401763	426.492	BYEMGZRSAQYIAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134612
c1(NC(=O)COc2cccnc2NC(=O)N2CCNCC2)sc2c(CCC2)c1C#N	MCULE-4129454519,EMOLS-id_321856954	426.492	UQMFJULOQZPWLS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134613
s1c2c(CCC2)c(c1NC(=O)CNc1cc(n2nnnc2C)ccc1)C(=O)OCC	PC-id_36913763	426.492	ZNJHFIAOBOIROY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134614
c1(c2CCCc2sc1NCc1cccc(F)c1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_1166842,MCULE-5300441929,CoCoCo_306023,ZINC22_920831,BAS-03715641,EMOLS-id_1439527,TIMTEC378787	426.504	PIESFNPGFTXOSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134615
COc1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3CCCc23)c(OC)c1	PC-id_4689707,CoCoCo_2720356,EMOLS-id_16406080,CHEMBL1603375,MCULE-9975096132	426.504	IBQKSVLVDJELOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134616
Fc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)[C@@H]1CC[N@H+](CC1)C1CC1	GD-id_ZINC45392142	426.507	VBWXQPUACHCVRW-UHFFFAOYSA-O	00100010100010110001100010000000000000000000000000000000	25-01-134617
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC(=O)NC(=O)OCC)C(=O)OCC	PC-id_8905464	426.507	XIYHVAXBKPWLBX-UHFFFAOYSA-O	00000010100000000000000010000000000000000000000000000000	25-01-134618
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)Oc1ccccc1	SCHEMBL14058213,PC-id_89239190	426.509	FCWCNZPVEFSPEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134619
O=C1N(CCN2CCN(CC2)C(=O)c2occc2)C(=O)c2c1c(n(c2C)CCCC)C	PC-id_24848842	426.509	LMKIXTKRCNGAHY-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-134620
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1occc1)C(=O)Nc1ccc(OC)cc1	PC-id_40625656	426.509	LSUBQAIXBGUEQO-UHFFFAOYSA-O	00000010101000110000000010000000000000000000000000000000	25-01-134621
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sccc1c1ccccc1)C(=O)N	PC-id_45612362	426.509	TTYJHWCUIPGOEJ-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-134622
c1(NC(=O)NS(=O)(=O)c2ccc(cc2)C)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_6415295,MCULE-2740116048,ZINC22_28048124,PC-id_20994720,EMOLS-id_13087080	426.51	XIVDAYZZDCBAHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134623
Cc1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(=O)n(c2ccccc2)n1C	EMOLS-id_328222069,MCULE-1945478835	426.51	QYYKGHOVCBPAJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134624
COc1ccc(cc1)n1nc(C)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328224380,MCULE-2550137912	426.51	GGOWOAMCWLTLPJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134625
Cc1ccc(C2=NS(=O)(=O)N(C)C(=C2)C(=O)Nc2sc3c(c2C#N)CCC3)cc1	EMOLS-id_16141003,PC-id_17253550,ZINC22_9290004,TIMTEC168572,MCULE-4110516728,CoCoCo_2302068	426.512	GHUIYMANOCHZCG-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-134626
CCOc1ccc(NC(=O)N2Cc3c(C2)n(C)nc3C(=O)N2CCCN(C)CC2)cc1	MCULE-6982065360,EMOLS-id_207863255	426.512	AADFQJPZLDGCPY-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-134627
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)N1CCN(CC1)C)CNC2(C)C	PC-id_57703878,SCHEMBL1985468	426.512	AVAGDHMUVIINTD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134628
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)C	SCHEMBL3903873,PC-id_21874033	426.512	AKNGWCDLTLOCSV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134629
COc1ccc(Cc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1	PC-id_42088083,ZINC22_11648888,EMOLS-id_16763266,CoCoCo_2895558,MCULE-6219246702	426.512	OZKGJFJRWCNBCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134630
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cnccn1	SCHEMBL597013,BindingDB_PC-id_59508288,PC-id_59508288	426.515	ATHUBKLLUQDAGH-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-134631
COc1ccc(C)cc1n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_2489774,ZINC22_3371994,CoCoCo_3005300,MCULE-8781297440,EMOLS-id_43753079	426.515	PSNFNHCPDVDUJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134632
COc1ccc(Cn2nnnc2SCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	PC-id_16333439,ZINC22_13128235,MCULE-2657269226,CoCoCo_4237364,EMOLS-id_11772445	426.515	UBBRRIMLQYEKHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134633
n1(N)c(COc2ccccc2)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335783594,MCULE-6452855659	426.515	PGOXWHJOGZFFFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134634
COC(=O)c1c(NC(=O)c2ccc(I)cc2)sc2c1CCC2	ZINC22_315048715	427.257	XYQQLPZTMUUUAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134806
s1c2CCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1c(OC)cccc1)C#N	PC-id_18230716	426.515	KDXURBCWYLRYEX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134635
CCCCCC1C(Cc2c1nc(s2)NS(=O)(=O)c1cccc(c1)F)CC(=O)O	SCHEMBL11988959,PC-id_88864669	426.525	YELHTAQZMJIXPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134636
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)Nc1ccccc1C	TIMTEC377081,PC-id_17377386,MCULE-8749489860,EMOLS-id_4110191	426.529	PGGXFGLATCILHK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134637
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)Nc1ccc(C)cc1	EMOLS-id_4110137,TIMTEC68701,PC-id_17377366,SCHEMBL20339085,MCULE-5626692381	426.529	BAMMETVZPNZHSN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134638
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)Nc1cccc(C)c1	EMOLS-id_4110183,SCHEMBL20339082,TIMTEC143975,PC-id_17379592,MCULE-6158077042	426.529	FGHMQRKMWVTOIR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134639
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCC2)c1C(=O)NCc1ccccc1	TIMTEC333648,EMOLS-id_4110189,PC-id_17377139,MCULE-8767331917	426.529	NJTLEYCNKYVOGX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134640
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1786705083	426.529	DTIOFXMLVDGBRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134641
c1(NC(=O)COC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C#N	PC-id_2240076,EMOLS-id_5669167,CoCoCo_6323697,ZINC22_2887897,ChEMBL-DNDi_CHEMBLF3284-4525,MCULE-3275510691	426.529	RWCRUDSZGBMBQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134642
Cc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832303,PC-id_27526276,ZINC22_17094978	426.529	PGGXFGLATCILHK-GJZGRUSLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134643
Cc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_17094977,CoCoCo_6832304,PC-id_27526274	426.529	PGGXFGLATCILHK-CABCVRRESA-N	00000010100010110000000010000000000000000000000000000000	25-01-134644
Cc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_17094979,PC-id_27526278,CoCoCo_6832301	426.529	PGGXFGLATCILHK-HUUCEWRRSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134645
Cc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_17094980,PC-id_27526280,CoCoCo_6832302	426.529	PGGXFGLATCILHK-LSDHHAIUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134646
Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)sc3c2CCC3)c1	CoCoCo_6833925,PC-id_27526262,ZINC22_17094970	426.529	FGHMQRKMWVTOIR-HZPDHXFCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134647
Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)sc3c2CCC3)c1	CoCoCo_6833926,PC-id_27526264,ZINC22_17094971	426.529	FGHMQRKMWVTOIR-JKSUJKDBSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134648
Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc3c2CCC3)c1	PC-id_27526258,ZINC22_17094968,CoCoCo_6833928	426.529	FGHMQRKMWVTOIR-CVEARBPZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134649
Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc3c2CCC3)c1	PC-id_27526260,CoCoCo_6833927,ZINC22_17094969	426.529	FGHMQRKMWVTOIR-HOTGVXAUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134650
Cc1ccc(NC(=O)c2c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc3c2CCC3)cc1	CoCoCo_6832243,PC-id_27526204,ZINC22_17094927	426.529	BAMMETVZPNZHSN-CVEARBPZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134651
Cc1ccc(NC(=O)c2c(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)sc3c2CCC3)cc1	CoCoCo_6832244,ZINC22_17094930,PC-id_27526210	426.529	BAMMETVZPNZHSN-JKSUJKDBSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134652
Cc1ccc(NC(=O)c2c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc3c2CCC3)cc1	CoCoCo_6832245,PC-id_27526206,ZINC22_17094928	426.529	BAMMETVZPNZHSN-HOTGVXAUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134653
Cc1ccc(NC(=O)c2c(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)sc3c2CCC3)cc1	PC-id_27526208,ZINC22_17094929,CoCoCo_6832246	426.529	BAMMETVZPNZHSN-HZPDHXFCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134654
CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	PC-id_16275172,EMOLS-id_43752951,CoCoCo_3004931,ZINC22_8882222,MCULE-4035060275	426.529	OBJBDJICDWXETO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134655
CCOC(=O)c1c(NC(=O)C2CN(C(C)c3ccccc3)C(=O)C2)sc2CCCc12	EMOLS-id_327847332,MCULE-1362065170	426.529	UPSBFYGEBSKXNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134656
CCS(=O)(O)c1ccc(O)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	MCULE-6367943349,EMOLS-id_328220285	426.529	WHTGPMLOVFJDGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134657
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334333862	426.529	DTIOFXMLVDGBRC-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134658
O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6831556,PC-id_27526266,ZINC22_17094973	426.529	NJTLEYCNKYVOGX-JKSUJKDBSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134659
O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6831557,PC-id_27526268,ZINC22_17094974	426.529	NJTLEYCNKYVOGX-HOTGVXAUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134660
O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6831558,PC-id_27526270,ZINC22_17094975	426.529	NJTLEYCNKYVOGX-HZPDHXFCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134661
O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_27526272,ZINC22_17094976,CoCoCo_6831555	426.529	NJTLEYCNKYVOGX-CVEARBPZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134662
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1cc(ccc1)C(=O)N	PC-id_55634254	426.529	OCEQVPXPEHJXIF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134663
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1ccccc1	PC-id_45663371	426.529	QQCOVMCAEAGMFT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134664
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(O)c(C(C)C)cc(C(C)C)c1)C#N	PC-id_18227350	426.529	ATQJJJCWWDAYGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134665
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)/C=C/c1ccc(C(C)C)cc1)C)C(=O)N	PC-id_24497879	426.529	JAPNJTVXPIIETK-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134666
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1ccc(C(C)C)cc1)C)C(=O)N	PC-id_74287700	426.529	JAPNJTVXPIIETK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134667
c1(NC(=O)COc2cccnc2NC(=O)CCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_321807985,MCULE-7234085780	426.532	LXZVUABXBWIHCW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134668
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CC)sc2CCCc2c1C#N	EMOLS-id_331923734,MCULE-2474994258	426.532	WCVZXYJZRURPDM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134669
CC(=O)c1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	ZINC22_35300845,MCULE-2877873021,PC-id_17555140,CoCoCo_3575832,CoCoCo_3575831,EMOLS-id_48933696	426.532	SCPXWPWDCPAFKA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134670
N#Cc1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	PC-id_117688925,SCHEMBL16224759	426.532	VWWQEOICAGMEBM-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-134671
NC(=O)c1c(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)sc2c1CCC2	CoCoCo_4139706,PC-id_16293866,EMOLS-id_11712515,CoCoCo_4139707,ZINC22_9711922,MCULE-3911063225	426.532	KCCAZNJFSXSGLO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134672
s1c2c(CCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCC	PC-id_78279231	426.532	LFOVNNLTMIRAGE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134673
s1c2CCCc2c(c1NC(=O)CCN(CC)CC(=O)Nc1ccc(OC)cc1)C#N	PC-id_24588964	426.532	QHYQOTYFALITGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134674
s1c2CCCc2c(c1NC(=O)CCN(CC)CC(=O)Nc1c(OC)cccc1)C#N	PC-id_55482000	426.532	QEGYQUWVCHWLEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134675
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)Nc1ccccc1)C(=O)N	PC-id_46663157	426.532	PAFOSLRQGHEVEZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134676
s1c2c(CCC2)c(c1NC(=O)CN1CCC(NC(=O)c2ccccc2)CC1)C(=O)N	PC-id_41816370	426.532	SMOCYGVVIIPVJS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134677
c1(c2CCCc2sc1NC(=O)c1snnc1C)C(=O)NC1CCS(=O)(=O)C1	PC-id_16453526,MCULE-6877604598,EMOLS-id_9879167,TIMTEC173969	426.534	GNUNUOGSAMEZCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134678
c1(NC(=O)CSc2nnc(NC(=O)C)s2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_570478,ZINC22_2884943,TIMTEC427445,EMOLS-id_2518360,PC-id_2237333,MCULE-8200444735	426.534	RKPAOKRUJDJWOU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134679
Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2	CoCoCo_6286598,ZINC22_11913919,PC-id_42278447	426.534	GNUNUOGSAMEZCR-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134680
Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2	ZINC22_11913920,CoCoCo_6286599,PC-id_42278448	426.534	GNUNUOGSAMEZCR-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-134681
c1(NC(=O)CN2CCN(CC2)c2[nH]c(=O)cc(C(C)C)n2)sc2c(CCC2)c1C#N	MCULE-7487945991,EMOLS-id_322524771	426.535	QCBBKMMGSXAYST-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-134682
CC(/C(=C/1C(=N)Sc2c1[nH]nc2NCc1ccc(cc1)C(=O)N1CCOCC1)/C)N	PC-id_145425188	426.535	WFGHUPUOWNGGHT-OMLAYDHKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134683
CC(C)(C)OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccc(cc1)CCOC(C)(C)CN	SCHEMBL20259391,PC-id_134604852	426.548	CUEUVNQUMMEAPD-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-134684
c1(c2CCCc2sc1N=Cc1sccc1C)C(=O)Nc1ccc(cc1OC)OC	PC-id_3797511,MCULE-1183113296	426.552	ODRMOBITXDUGII-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134685
c1(C(=O)N(CCOC)CC2CCN(CC2)Cc2ccccc2OC)c2CCCc2[nH]n1	CoCoCo_1332920,PC-id_25285916,CoCoCo_1332918,ZINC22_12445581,MCULE-6793023845,CoCoCo_1332919,EMOLS-id_20542609,CoCoCo_1332917	426.552	HNNVNIOTUHXAHC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134686
COc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2sccc2C)c(OC)c1	PC-id_9636457,EMOLS-id_46413555,ZINC22_101892741,CoCoCo_6728542	426.552	ODRMOBITXDUGII-FSJBWODESA-N	00000010100100110000000010000000000000000000000000000000	25-01-134687
COc1ccc(NC(=O)c2c(/N=Cc3sccc3C)sc3c2CCC3)c(OC)c1	ZINC22_15945880,CoCoCo_6728543,TIMTEC351434	426.552	ODRMOBITXDUGII-FMCGGJTJSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134688
COC(=O)c1c(NC(=O)CNC(c2cccs2)c2ccccc2)sc2c1CCC2	EMOLS-id_13563767,MCULE-4831675274,PC-id_17477938	426.552	ZMVNLLXBSIVCEM-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134689
COC(=O)c1c(NC(=O)CN[C@H](c2ccccc2)c2cccs2)sc2c1CCC2	CoCoCo_3984274,PC-id_26007476,ZINC22_14242474	426.552	ZMVNLLXBSIVCEM-HXUWFJFHSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134690
COC(=O)c1c(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)sc2c1CCC2	PC-id_26007474,ZINC22_14242473,CoCoCo_3984273	426.552	ZMVNLLXBSIVCEM-FQEVSTJZSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134691
s1c2CCCc2cc1C(=O)OCc1nc(sc1)CC(=O)Nc1c(ccc(c1)C)C	PC-id_45637956	426.552	ASIMVKUETGXHFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134692
s1c2CCCc2cc1C(=O)OCc1nc(sc1)N(c1c(cc(cc1)C)C)C(=O)C	PC-id_45637918	426.552	KGZZFZLJHTTYRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134693
s1c2CCCc2cc1C(=O)OCc1nc(sc1)N(c1ccc(CC)cc1)C(=O)C	PC-id_16505592	426.552	RUNSCTJVYJFVRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134694
s1c2CCCc2cc1C(=O)OCc1nc(sc1)N(c1c(CC)cccc1)C(=O)C	PC-id_16505595	426.552	WXUVALZYXBSCGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134695
NC(=O)c1c(NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)sc2c1CCC2	CoCoCo_3985959,PC-id_30638885,CoCoCo_3985957,ZINC22_22804414	426.553	ICVUQDFKRWHIMZ-GFCCVEGCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-134696
NC(=O)c1c(NC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)sc2c1CCC2	PC-id_30638890,CoCoCo_3985958,ZINC22_22804420,CoCoCo_3985960	426.553	ICVUQDFKRWHIMZ-LBPRGKRZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-134697
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCN(CC1)C1CCS(=O)(=O)C1	EMOLS-id_11965798,PC-id_17553680,MCULE-7214781898	426.553	ICVUQDFKRWHIMZ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-134698
s1c2c(CCC2)c(c1NC(=O)C(SC1NC(N)CC(=O)N1)CC)C(=O)OCC	PC-id_78337285	426.553	SLONIAVCDAIJKP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-134699
c1(NC(=O)Cc2cccs2)c2CSCc2nn1CC(=O)NCCc1ccccc1	MCULE-8264965727,CoCoCo_5277824,PC-id_30862883,EMOLS-id_24913641,ZINC22_23139667	426.555	UIECWRDSSOKMDJ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-134700
Cc1ccc(C)c(n2ccnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_4181417,PC-id_16357717,ZINC22_9910374,MCULE-5075571333,EMOLS-id_11802226	426.555	YXGOFQBWRSPHES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134701
Cc1cc(C)cc(n2ccnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	EMOLS-id_11804823,ZINC22_9466723,MCULE-3388034160,CoCoCo_4181263,PC-id_16360132	426.555	YHQIOPAWGCLWNN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134702
Cc1cccc(n2ccnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1C	PC-id_16341538,MCULE-9397967254,CoCoCo_4184067,ZINC22_9731698,EMOLS-id_11784543	426.555	CFAVWCVKDKEOOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134703
Cc1ccc(n2ccnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1C	MCULE-2203873102,CoCoCo_4172640,PC-id_16332889,EMOLS-id_43973135,ZINC22_9731537	426.555	OLASTHLFTVBUBI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134704
Cc1[nH]c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nc1Cc1ccccc1	PC-id_17546625,CoCoCo_2888485,EMOLS-id_11883978,MCULE-6615709773,ZINC22_9338316,CoCoCo_2888484	426.555	WFBGICWBCGLRRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134705
CCCCNC(=O)Nn1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(cc1)C(C)(C)C	SCHEMBL4020368,PC-id_68880102	426.555	KREQZYAGYUREBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134706
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nccn1Cc1ccccc1	MCULE-4717245531,EMOLS-id_3697355,SCHEMBL20936275,PC-id_16354867	426.555	MENNXIWCZKXHIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134707
C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9863598,CoCoCo_4179081,PC-id_41250293	426.555	MENNXIWCZKXHIR-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134708
C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9863604,PC-id_41250299,CoCoCo_4179080	426.555	MENNXIWCZKXHIR-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134709
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ncc1c1ccccc1	SCHEMBL8289453,PC-id_3181399	426.555	OWUDYWPYXLPAIS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134710
CC(Oc1ccc(cc1)NC(=NCc1nnc2n1CCC2)NCCCOCC1CC1)C	PC-id_111860264	426.555	JMVJMUHKWXHLGE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-134711
Cn1cc(CNC(=O)c2cc3c(s2)CCC3)c(NC(=O)c2cc3c(s2)CCC3)n1	MCULE-1629040139,ZINC22_96012225,EMOLS-id_48832070,PC-id_75455627	426.555	PNWJYHUJQBXRPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134712
CN=C(NCc1nnc2n1CCC2)NCC1(CCCCC1)c1ccc(c(c1)OC)OC	PC-id_111580847	426.555	JRAKIMNAYFCYDA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134713
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(cc(cc2)C)C)ccn1)C(=O)N	PC-id_24577689	426.555	VLTNFUQIHLHKMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134714
s1c2c(CCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(cccc1)C)C(=O)OC	PC-id_19679620	426.555	CRVYKHVYIXQYCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134715
s1c2c(CCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(cc1)C)C(=O)OC	PC-id_20168872	426.555	GNEZBJBWGGNYDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134716
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cc1)C(=O)OC	PC-id_19677003	426.555	WJTXKQGWHOOYFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134717
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cc1)C(=O)OC	PC-id_19677272	426.555	MFTNFRRRSYWAAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134718
s1cc(nc1)C[NH+](Cc1cc(OC(CNC(=O)c2n[nH]c3CCCc23)C)ccc1)C	PC-id_74780911	426.555	GJXPTFYGSIJAIG-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-134719
s1cc(nc1)C[NH+](Cc1cc(O[C@H](CNC(=O)c2n[nH]c3CCCc23)C)ccc1)C	PC-id_42170306	426.555	GJXPTFYGSIJAIG-HNNXBMFYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-134720
s1cc(nc1)C[NH+](Cc1cc(O[C@@H](CNC(=O)c2n[nH]c3CCCc23)C)ccc1)C	PC-id_42170308	426.555	GJXPTFYGSIJAIG-OAHLLOKOSA-O	00000010100000110001000010000000000000000000000000000000	25-01-134721
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4168741442,EMOLS-id_334336163	426.572	KEYXVHYSGZENBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134722
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1971748702	426.572	NSTSXCLEQYDOFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134723
c1(NC(=O)CCc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333356,MCULE-4854812197	426.572	VIFUGYBDOQISJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134724
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)C)sc2CCCc12	EMOLS-id_334388756	426.572	NSTSXCLEQYDOFU-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134725
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)Cc1ccccc1)C(=O)OCC	PC-id_22198126	426.572	HSYZZYOUSULCAD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-134726
c1(NC(=O)CC2CCCCC2)c2CSCc2nn1CC(=O)NCCc1ccccc1	CoCoCo_5277830,MCULE-9516555122,ZINC22_23139685,EMOLS-id_24913653,PC-id_30862900	426.575	QSPBAHKBTFJFCC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134727
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(Cc1ccccc1N1CCCC1)C	MCULE-9358765048,PC-id_16367128,EMOLS-id_3574601	426.575	QVVPEYKTFZBYGJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134728
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccccc1N1CCCC1	CoCoCo_4240707,PC-id_41145989,CoCoCo_4240706,ZINC22_9616917	426.575	QVVPEYKTFZBYGJ-OAHLLOKOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134729
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccccc1N1CCCC1	PC-id_41145986,ZINC22_9616913,CoCoCo_4240704,CoCoCo_4240705	426.575	QVVPEYKTFZBYGJ-HNNXBMFYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134730
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1c(c(ccc1)C)C)C)C(=O)N	PC-id_9460103	426.575	UYCULGXBRSIOJP-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134731
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1c(c(ccc1)C)C)C)C(=O)N	PC-id_9460105	426.575	UYCULGXBRSIOJP-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134732
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)Cc1c(cccc1)C)C)C(=O)N	PC-id_51633418	426.575	UXJSXUMCTJRBLG-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134733
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)Cc1c(cccc1)C)C)C(=O)N	PC-id_51633420	426.575	UXJSXUMCTJRBLG-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134734
s1c2c(CCC2)c(c1NC(=O)C(N1CCCN(CC1)Cc1ccccc1)C)C(=O)N	PC-id_55506048	426.575	OXGFOQSZWRTHRG-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-134735
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1c(c(ccc1)C)C)C)C(=O)N	PC-id_46559472	426.575	UYCULGXBRSIOJP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134736
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1cc(ccc1)C)C)C(=O)N	PC-id_46630305	426.575	ICPDOEQYDDOTOY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134737
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1c(cccc1)C)C)C(=O)N	PC-id_46630424	426.575	UXJSXUMCTJRBLG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134738
S1Cc2c(NC(=O)CCC3CCCC3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053809	426.575	OKDMMNIISJGQRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134739
S1Cc2c(NC(=O)CCC3CCCCC3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053387	426.575	XSBJYMKNUFMFCC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134740
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)N(CC)CC	PC-id_49829433	426.577	LTXZSWDRACFGDC-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-134741
S(=O)(=O)(NC1CCN(CC1)CC(=O)Nc1sc2CCCc2n1)c1sccc1	PC-id_60506545	426.577	WCGPKVGLYORJFY-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-134742
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccn1	PC-id_140882983	426.587	CUDSHZHAYLLDCM-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-134743
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cccnc1	PC-id_140883027	426.587	OUBFIQLFRICMPZ-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-134744
CN(CCC1(CCCC1)c1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3693723087,EMOLS-id_328341138	426.593	BNFPWWKPFVSEJP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134745
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCC1(CCCCC1)c1ccccc1	EMOLS-id_328214652,MCULE-4068262477	426.593	BRLDBEJUHVYXRZ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-134746
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)Nc1c(cc(cc1)C)C	PC-id_78468138	426.595	RCKWVADTESWWOU-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-134747
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)Nc1c(cc(cc1)C)C	PC-id_7381365	426.595	FUAGTXMMQJHJRA-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-134748
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)Nc1c(cc(cc1)C)C	PC-id_7280539	426.595	RCKWVADTESWWOU-INIZCTEOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-134749
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)Nc1c(cc(cc1)C)C	PC-id_7280544	426.595	RCKWVADTESWWOU-MRXNPFEDSA-O	00000010100010110000000010000000000000000000000000000000	25-01-134750
n12c(=O)c(=Cc3cc(cc(Br)c3O)Cl)sc1nc(C(F)(F)F)n2	MCULE-8005915080	426.596	WNTSOWUASBEEKN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134751
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(nn2c1=O)C(F)(F)F	EMOLS-id_324908045	426.596	WNTSOWUASBEEKN-UQCOIBPSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134752
c1(NC(=O)CCCCCCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334335905,MCULE-7599092983	426.615	ZGWZIBOJRXLBIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134753
Brc1c2n(CCC2(C(=O)O)C(=O)O)c(c1C)C(=O)c1ccc(Cl)cc1	SCHEMBL11260841,PC-id_20526411	426.646	REKHACHRAMOCOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134754
C=CCOc1c(cc(cc1C(C)(C)C)OC)[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	SCHEMBL2914613,PC-id_21880971	426.687	ZFCKIBLHHMKDSQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-134755
C=CCOc1c(cc(cc1[Si](C)(C)C)C)[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	SCHEMBL2922165,PC-id_21880941	426.762	UBKMCTUCGLSIAC-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-134756
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1F)F)CN(C2(C)C)C(=O)Cl	PC-id_57523205,SCHEMBL1206305	426.802	SKHXXZCDWANFSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134757
CCOc1ncc(c(n1)Nc1nn(c2c1CN(C2(C)C)C(=O)Cl)C(=O)OCC)F	SCHEMBL3330284,PC-id_59333997	426.83	YEQNCUYZDKKMRC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-134758
Clc1c(c2oc(cc2)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_29498780	426.873	GXBMVBYXRLENSY-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-134759
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(c(Cl)c3)C)n2)sc2c(CCC2)c1C#N	MCULE-4262471004,EMOLS-id_322821163	426.876	SGACASRBAFNLAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134760
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O	PC-id_117588388,ZINC22_256055548	426.876	KVSKEKOAKLLNEB-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134761
Cc1ccc(CCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324907521	426.876	SMKCBOAVDBOHQN-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134762
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=c/2sc3ncnn3c2=O)c1	ZINC22_256055537,PC-id_117588390	426.876	KDDOWFFELYOFOC-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134763
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_47154586	426.876	ITULAAYMYWGSGD-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134764
Cc1c(Cl)cccc1n1nc(C(=O)Nc2sc3CCCc3c2C#N)c(O)cc1=O	EMOLS-id_322821419,MCULE-6681841428	426.876	DZEHDSGXJLLZPK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134765
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)C	MCULE-5011266215	426.876	WFKQFJSZTCIJOD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134766
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCc1ccc(cc1)C	MCULE-5882802595	426.876	SMKCBOAVDBOHQN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134767
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C)c2=O	MCULE-1704483100	426.876	KVSKEKOAKLLNEB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134768
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O	MCULE-3866687760	426.876	ITULAAYMYWGSGD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134769
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1)c2=O	MCULE-8242235189	426.876	KDDOWFFELYOFOC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134770
N#Cc1c(NC(=O)COC(=O)c2cc(c3ccc(Cl)cc3)n[nH]2)sc2c1CCC2	EMOLS-id_24960717,MCULE-8874746726,ZINC22_11493521,CoCoCo_4537993,PC-id_41998510,CoCoCo_4537994	426.876	RYJFJLOPDCXJTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134771
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)C)Cl)C#N	SCHEMBL20252898,PC-id_134598997	426.896	HVKBCERUHIEKFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134772
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1)OC	CoCoCo_81803,ZINC22_1104431,PC-id_1284305,EMOLS-id_1231071,ChEMBL-DNDi_CHEMBL2303-0581,MCULE-6832166269	426.916	QVLPLOOWQLAISN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134773
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1OC	CoCoCo_81814,ChEMBL-DNDi_CHEMBL2303-0582,CHEMBL1369443,MCULE-4657061851,EMOLS-id_1231093,PC-id_1284316,ZINC22_1104442,BAS-00486968	426.916	GGTBTDZBNUAOKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134774
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3929739172	426.916	HQPSXMSEQKZBBB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134775
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9404562718	426.916	BNWGVLNAXWEBBS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134776
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8251970203	426.916	NGYYGZWOFOVMGT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134777
Cc1ccc(c2ccc(/C=C/C(=O)Nc3sc4c(c3C(=O)N)CCC4)o2)cc1Cl	PC-id_5982903,ZINC22_17095208	426.916	CHGWXPWTLBHDFU-CSKARUKUSA-N	00000010101000110000100010000000000000000000000000000000	25-01-134778
Clc1cc(c2oc(C=CC(=O)Nc3sc4c(CCC4)c3C(=O)N)cc2)ccc1C	PC-id_4001300	426.916	CHGWXPWTLBHDFU-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-134779
Clc1ccccc1/C=C/C(=O)Nc1sc2CCCc2c1C(=O)NCc1ccco1	EMOLS-id_334338727	426.916	HQPSXMSEQKZBBB-ZHACJKMWSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134780
Clc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c1	EMOLS-id_334339750	426.916	NGYYGZWOFOVMGT-MDZDMXLPSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134781
Clc1ccc(/C=CC(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334337191	426.916	BNWGVLNAXWEBBS-FLIBITNWSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134782
c1(NC(=O)c2ccccc2Cl)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_24913533,CoCoCo_5277760,PC-id_30862732,ZINC22_23139494,MCULE-5525684222	426.919	DEKVIEIHKAGRHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134783
c1(NC(=O)c2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_24913535,ZINC22_23139497,PC-id_30862735,MCULE-9547417347,CoCoCo_5277761	426.919	JFTGUVQANWIZKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134784
Clc1c(NC(=O)NCc2n3CCCc3nn2)cc(S(=O)(=O)N(CC)CC)cc1	PC-id_52591902	426.921	SOVHEEOIHIGSJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134786
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_18586042,CoCoCo_2590330,EMOLS-id_16349231,ZINC22_10219071,ChEMBL-DNDi_CHEMBLF2815-0871,MCULE-8158071679	426.937	LQWRJHYIHZLYKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134787
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(OC)cc1OC	PC-id_19676072	426.937	PQEWNIUVPKDEGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134788
Clc1c(OC)cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(OC)c1	PC-id_20411386	426.937	KQOYAUGFCGDOJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134789
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc2c(s1)CCC2	PC-id_3538629,ZINC22_9139336,CoCoCo_3345270,MCULE-6631089191,EMOLS-id_2984530	426.937	OOHILLRGCADWBQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134790
Clc1ncccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1sc2CCCc2n1	PC-id_33041062	426.941	AXYCRVJOHWJLGH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134791
Clc1ccc([C@@H](SCC(=O)N(Cc2n3CCCc3nn2)C)c2ccccc2)cc1	PC-id_52587712	426.962	NUMMGAQJQMKRJM-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134792
Clc1ccc([C@H](SCC(=O)N(Cc2n3CCCc3nn2)C)c2ccccc2)cc1	PC-id_52587713	426.962	NUMMGAQJQMKRJM-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134793
Clc1ccc(C(SCC(=O)N(Cc2n3CCCc3nn2)C)c2ccccc2)cc1	PC-id_75875559	426.962	NUMMGAQJQMKRJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134794
CCOC(=O)n1nc2c(c1NC(=O)C1(CC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Cl	PC-id_140817085	426.97	BPLLJWMPNRRDOA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-134795
Clc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_20174745	426.984	MOXHGDQNCDCTNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134796
COC1=CC=C(C=C1)CC2=C(N3[C@H](S2)/C(=CC4=CN5CCSC5=N4)/C3=O)C(=O)O	PC-id_154423269	427.066	QXRVVHDXLZXHML-GIIHOQTISA-N	00001011100000110001001010000000000000000000000000000000	25-01-134797
Brc1c2n(CCC2C(=O)O)c(c1Br)C(=O)c1ccc(cc1)C	PC-id_20405048,SCHEMBL11003420	427.087	IVHOSMSMXTVUPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134798
Brc1c2n(CCC2C(=O)OC)c(c1Br)C(=O)c1ccccc1	SCHEMBL11005453,PC-id_15580631	427.087	NYHLAUPYZUGSJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134799
Brc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1c(Br)cccc1	PC-id_20405062,SCHEMBL11000469	427.087	DJSFOJJZEWWYNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134800
CC1(C2=C(CN1C(=O)NC3=CC=CC=C3F)C(=NN2)NC(=O)C4(CCC4)C(C)(C)C)C	PC-id_153587076	427.238	ISTQTWABTIIIKX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-134801
CC1=C(C(=C(C=C1)C)F)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587071	427.238	ONLJANIFUVLFFO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-134802
C[C@H]1C[C@@H]1NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(nc(n1)OC)N1CCCC1	PC-id_164013547	427.244	UTISRXFSHDPOCF-AAEUAGOBSA-N	00100010100000100001100010000000000000000000000000000000	25-01-134803
COC(=O)c1c(NC(=O)c2cccc(c2)I)sc2c1CCC2	PC-id_105534048	427.257	AVYJMAIVDDZIOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134804
COC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCC2	ZINC22_59472670,PC-id_4062385	427.257	JBMXOTFEPMJFLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134805
Fc1cc(Br)ccc1NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-3048432646,PC-id_46861318,EMOLS-id_31548334	427.266	OFCKUMUSHYJKRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134810
Fc1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c(Br)c1	EMOLS-id_31548336,PC-id_46861319,MCULE-7832814070	427.266	SDRCNHCHTBFLSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134811
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Br)cc1F	PC-id_52340487,ZINC22_51364536	427.266	OFCKUMUSHYJKRT-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134812
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Br)cc1F	ZINC22_51364535,PC-id_52340486	427.266	OFCKUMUSHYJKRT-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134813
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(F)cc1Br	PC-id_52340489,ZINC22_51364538	427.266	SDRCNHCHTBFLSK-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134814
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(F)cc1Br	ZINC22_51364537,PC-id_52340488	427.266	SDRCNHCHTBFLSK-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134815
Brc1c(OC(C(=O)NNC(=O)c2sc3CCCc3c2)C)ccc(F)c1	PC-id_46459910	427.288	YGLOPXIWEFSFCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134816
FC(F)(F)Oc1ccc(c2oc(=O)n(n2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_23081197,SCHEMBL5539352	427.292	HIHVLORLRHHKHY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134817
FC(F)(F)Oc1ccc(c2oc(=O)n(n2)C[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_69480520,SCHEMBL5539346	427.292	HIHVLORLRHHKHY-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134818
Clc1c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(Cl)ccc1	PC-id_75859905	427.302	VZCIHLQOWLMYBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134819
Clc1c(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(Cl)ccc1	PC-id_52499889	427.302	VZCIHLQOWLMYBQ-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134820
Clc1c(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(Cl)ccc1	PC-id_52499890	427.302	VZCIHLQOWLMYBQ-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134821
NC(=O)c1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)sc2c1CCC2	CoCoCo_2930203,MCULE-2435861047,PC-id_5135331,EMOLS-id_11664807,ZINC22_9635054	427.302	TUSJNXUVOAXMQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134822
NC(=O)c1c(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)sc2c1CCC2	CoCoCo_2922196,PC-id_4538223,ZINC22_8881029,MCULE-1771025663,EMOLS-id_11676938	427.302	RIMOJBRYASORKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134823
NC(=O)c1c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)sc2c1CCC2	MCULE-2461065847,EMOLS-id_3458635,PC-id_5092397,CoCoCo_2933701,ZINC22_9633073	427.302	IDNZPORJRAXDNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134824
c1(NC(=O)c2ccccc2I)c2CSCc2nn1C(C)(C)C	CoCoCo_4972648,MCULE-4717534456,ChEMBL-DNDi_CHEMBLF0396-0136,PC-id_4083168,ZINC22_8660842,EMOLS-id_5426213	427.303	UXROSYFPRYHEDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134825
c1(NC(=O)c2ccc(Br)o2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9603478342,EMOLS-id_334389521	427.313	CWPROYMMCXGKLT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-134826
Cc1c(c(=O)n([nH]1)c1ccc(cc1)Br)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135467548	427.318	XSUJYHIBIWRBJX-LSHDLFTRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134827
CC1=NN(c2ccc(Br)cc2)C(=O)/C/1=C/Nc1sc2c(c1C#N)CCC2	CoCoCo_121797,ZINC22_101122308,EMOLS-id_49396691	427.318	POZFDYBFLZMKMG-MHWRWJLKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-134828
CC1=NN(c2ccc(Br)cc2)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	TIMTEC384835,BAS-00709946,PC-id_5439941,CoCoCo_121796,SPECS-id_AG-690/37123025,EMOLS-id_1264976,ZINC22_100552412	427.318	POZFDYBFLZMKMG-YBEGLDIGSA-N	00000011100000110001100010000000000000000000000000000000	25-01-134829
N1(c2ccc(cc2)Br)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	PC-id_22304551,MCULE-4691585038	427.318	POZFDYBFLZMKMG-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-134830
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCCn2nc(C(F)F)cc2C(F)F)n1	TIMTEC102477,PC-id_19591036,EMOLS-id_8867575,MCULE-6250247776,ZINC22_20607545	427.32	CLYKTRKJGRXOCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134831
Clc1cc(C(O)(CC(=O)c2sc(c3c2CCC3)C(=O)OC)CC)cc(Cl)c1	SCHEMBL13977418,PC-id_71042697	427.341	VPFYCUJAVQIPHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134832
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388250,MCULE-4300309090	427.345	VATOQFZQLXTOPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134833
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6673556118,EMOLS-id_334388241	427.345	FPVLUCNGOMCWBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134834
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2124312377,EMOLS-id_334385183	427.345	HMGJQRHNMBUVLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134835
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-5650261619,EMOLS-id_334328287	427.345	QCTYPKAXQKOXNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134836
c1(C#N)c2CCCc2sc1/N=C/c1ccc(cc1)OCc1ccc(cc1Cl)Cl	MCULE-8018145268,CoCoCo_1938876,ZINC22_3664820,TIMTEC222811,PC-id_9600260,EMOLS-id_26816276	427.346	IQISPTBTJSQPJU-RPPGKUMJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134837
c1(C#N)c2CCCc2sc1N=Cc1ccc(cc1)OCc1ccc(cc1Cl)Cl	PC-id_3973681,MCULE-2073128851	427.346	IQISPTBTJSQPJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134838
N#Cc1c(/N=Cc2ccc(cc2)OCc2ccc(cc2Cl)Cl)sc2c1CCC2	CoCoCo_1938877	427.346	IQISPTBTJSQPJU-ZRGSRPPYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134839
C[C@H]([N@@H+](Cc1cccc(c1Cl)Cl)C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	GD-id_ZINC14928325	427.368	FBCHREGKFNBKQZ-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-134840
Fc1c(OC)c(N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc(F)c1F	PC-id_46180842	427.378	HQFHZEDCVNWZOO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134841
Fc1c(OC)c(N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc(F)c1F	PC-id_46180912	427.378	HQFHZEDCVNWZOO-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134842
Fc1c(OC)c(N2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc(F)c1F	PC-id_46180913	427.378	HQFHZEDCVNWZOO-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134843
FC(F)(F)Oc1ccc(N2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5540042,PC-id_10387787	427.378	LWBIDBQNZCECSS-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134844
FC(F)(F)Oc1ccc(N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL56976,PC-id_9910383	427.378	LWBIDBQNZCECSS-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134845
FC(F)(F)Oc1ccc(N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL56977,PC-id_10410254	427.378	LWBIDBQNZCECSS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134846
s1c2CCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])cc(OC(F)F)c(OC)c1	PC-id_46671287	427.379	LTBZUMGVTYLFGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134847
O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_122501183,SCHEMBL18031088	427.386	MYRUEZBXWIWOEY-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134848
O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19704657	427.386	MYRUEZBXWIWOEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134849
CCOCCNCCn1c(C)cc2c1SC(C2)C(=O)c1ccc(c(c1)Cl)Cl	PC-id_144120065	427.388	QXOFTXNLEXVRCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134850
c1(c(C)nn(C(F)F)c1)S(=O)(=O)NCCCn1nc2c(CCC2)c1C(F)(F)F	EMOLS-id_8869440,PC-id_19614801,ZINC22_36614809,TIMTEC426894,MCULE-5402369688	427.393	RJZPGSKECJIREH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134851
c1(C(F)(F)F)c2CCCc2n(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2)n1	TIMTEC293313,PC-id_19614874,EMOLS-id_8869586,ZINC22_36614895,MCULE-5769629413	427.393	LQWKTXNABOKKGH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134852
c1(C(F)(F)F)c2CCCc2n(CCCNS(=O)(=O)c2cnn(C(F)F)c2C)n1	PC-id_19614590,ZINC22_36614735,MCULE-9636934726,EMOLS-id_8869242	427.393	CQHPYDLHXOYPJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134853
c1(cnn(C(F)F)c1C)S(=O)(=O)NCCCn1nc2c(CCC2)c1C(F)(F)F	ZINC22_36614562,MCULE-3351075049,EMOLS-id_8868860,PC-id_19614410,TIMTEC449257	427.393	SIXDHSQQQZXILA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134854
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2C(F)(F)F)sc2c1CCC2	PC-id_4386168,MCULE-3675388650,ZINC22_12616648,CoCoCo_3041723,EMOLS-id_3040647	427.394	WEVUDNVYPPAHTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134855
COC(=O)c1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2	ZINC22_3270404,EMOLS-id_3040617,PC-id_2386721,MCULE-1286642445,CoCoCo_3042168	427.394	JEUOVSGNUZYENI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134856
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C(F)(F)F)C(=O)OC	PC-id_24363257	427.394	NFIUOAMYJLBZSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134857
FC(F)(F)c1nn(CC(=O)NCCn2nnn(c3cccs3)c2=O)c2CCCc12	PC-id_95801911,AEM-15372622,EMOLS-id_415426,ZINC22_72341055,MCULE-5681998384	427.404	PDFKOHKWYYKVMJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-134858
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-2571485020,EMOLS-id_333676789	427.409	SGHKQARNXJHTKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134859
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(F)c2)sc2CCCc2c1C#N	EMOLS-id_333678837,MCULE-6812549211	427.409	IYTNIICSPUBEFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134860
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F)C1CCC1	PC-id_24772157,SCHEMBL2162358	427.412	GHPLQRIIFOVDRY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-134861
c1(c2CCCc2sc1NC(=O)c1ccc(N(=O)=O)o1)C(=O)Nc1ccc(cc1)OC	ZINC22_16361423,EMOLS-id_2246093,PC-id_2958627,CoCoCo_1005550,MCULE-8696639032	427.43	ZKFSRXXKKUGBLC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134862
C1CCc2c1sc(NC(=O)c1oc(c3c(N(=O)=O)cc(OC)cc3)cc1)c2C(=O)N	EMOLS-id_42989155,ZINC22_72193667,MCULE-7089618376,PC-id_66522957,SPECS-id_AN-153/MC06828	427.43	DAOAHAJHBLDDSJ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-134863
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccco1	PC-id_89237533,SCHEMBL14056155	427.43	INDHNLMHGZKPIX-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-134864
c1(NC(=O)c2ccc(N(=O)=O)o2)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_30132023,CoCoCo_5277749,MCULE-3201357350,PC-id_30862709,ZINC22_23139464	427.434	UKNCHSIGTMVQRO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134865
c1(NC(=O)COc2nonc2CC(=O)NCc2ccco2)sc2CCCc2c1C#N	MCULE-3797596443,EMOLS-id_333688144	427.434	JVYYSZFYTCICGP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-134866
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(n2nnnc2)ccc1)C(=O)OC	PC-id_45659575	427.434	UAMATGXUMNWHMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134867
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n2ncnc2)nccc1)C(=O)OC	PC-id_45776904	427.434	NLBZYWGVKGWQKC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-134868
S1Cc2c(nn(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)NCc2occc2)C1	PC-id_44053288	427.434	AMQUIZVTYRJEOK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134869
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])ccc2)CC(=O)NCc2occc2)C1	PC-id_44053287	427.434	ZHJPFDMUFYPIMY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134870
S1Cc2c(nn(c2NC(=O)c2c([N+](=O)[O-])cccc2)CC(=O)NCc2occc2)C1	PC-id_44053286	427.434	OBHJAALJAXTTAH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134871
c1(NC(=O)COc2nonc2C(=O)NCCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_333714748,MCULE-3097022107	427.437	PQLOTDUGTRPPPI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134872
c1(c2CCCc2[nH]n1)C(=O)N1CCC(C1)c1cc([nH]n1)CCOc1ccc(c(F)c1)F	BDE-24976746,PC-id_110261409,MCULE-5628402015	427.447	PCSWAKABWXLSOE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134873
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1	PC-id_95831617,ZINC22_72371507	427.447	PCSWAKABWXLSOE-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134874
O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1	PC-id_95831618,ZINC22_72371508	427.447	PCSWAKABWXLSOE-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134875
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)F)n2)sc2c(CCC2)c1C(=O)OCC	ZINC22_11913859,TIMTEC228347,PC-id_16453444,CoCoCo_6286466,MCULE-5062173418,EMOLS-id_9879015	427.449	IWPZBXVWNKUODE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134876
COc1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324833535	427.449	HORAQZOTENLJHS-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134877
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)Cc1ccc(F)cc1	MCULE-1767570943	427.449	HORAQZOTENLJHS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134878
CC(NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCOC1=O)C	PC-id_142660373	427.457	BNQCTAFUUSSTOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134879
CCOC(=O)n1c2c(CNC2)c(n1)NC(=O)c1cc(c(cc1)N1CCN(CC1)C)N=O	SCHEMBL15338603,PC-id_89864894	427.457	UMDXCLKJNPOMRG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134880
c12c(CCC1C(=O)NCc1c(cccc1F)F)sc(NC(=O)c1ccc(cc1)C)n2	MCULE-8770617568,Chemmine_45425,EMOLS-id_12347305,PC-id_16947622	427.467	WGPKBIMUGORNTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134881
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2c(F)cccc2F)cc1	PC-id_40946204,ZINC22_9132331,CoCoCo_5124843	427.467	WGPKBIMUGORNTF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134882
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2c(F)cccc2F)cc1	PC-id_40946205,ZINC22_9132332,CoCoCo_5124842	427.467	WGPKBIMUGORNTF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134883
C1CN(CCN1c1ccccc1F)C(C1C(=O)n2c(ncn2)S1)c1ccc(cc1)F	PC-id_134716060	427.47	IMRZWVOIIKCDHP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134884
C(=O)(c1ccc(cc1)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C(=O)C	CHEMBL597198,BindingDB_PC-id_46228514,PC-id_46228514	427.472	SLPVPGYVCSWHFM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134885
Fc1ccc(cc1)C(n1c2nccn2/c(=Cc2ccc(c(c2)C)n2cnc(c2)C)/c1=O)C	SCHEMBL12920955	427.473	YCGIHMZZOVUOPY-QRVIBDJDSA-N	00000000100000110001100010000000000000000000000000000000	25-01-134886
Fc1ccc(C(n2c3n(c(=Cc4cc(c(n5cc(nc5)C)cc4)C)c2=O)ccn3)C)cc1	PC-id_58102087	427.473	YCGIHMZZOVUOPY-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-134887
CC1(COCc2ccc(cc2)OCc2ccccc2)Cn2c(S1=O)nc(c2)[N+](=O)[O-]	PC-id_145976479	427.474	HGBDKMZUMDRMLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134888
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccccc1)C)C(=O)OC	PC-id_45605452	427.474	NXBXYAIWFUUIMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134889
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccccc1)C)C(=O)OC	PC-id_51909377	427.474	NXBXYAIWFUUIMN-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134890
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccccc1)C)C(=O)OC	PC-id_51909378	427.474	NXBXYAIWFUUIMN-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134891
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)N	PC-id_5097087	427.474	DOIJCGQQKSJJEM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134892
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)C2CC2)ccc1)C(=O)N	PC-id_32960160	427.474	ZMIKXZWKRNLTRB-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-134893
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccccc1)NC(=O)C)C(=O)N	PC-id_3273652	427.474	JQLHFACTVPEYSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134894
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1ccccc1)/NC(=O)C)C(=O)N	PC-id_45633317	427.474	JQLHFACTVPEYSY-GDNBJRDFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134895
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1occc1	PC-id_16948017	427.474	LWKYOIDTHKMMSR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134896
c1(NC(=O)c2cc(on2)c2ccccc2)c2CSCc2nn1CC(=O)NCCOC	EMOLS-id_24913329,MCULE-8840619399,ZINC22_23139043,CoCoCo_5277603,PC-id_30862353	427.477	HCPKQQKAEMIDSW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134897
c1(NC(=O)COc2cccnc2NC(=O)N2CCOCC2)sc2c(CCC2)c1C#N	EMOLS-id_321859001,MCULE-4808909871	427.477	OUTGLCYJGATAOX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134898
c1(NC(=O)COc2nonc2CC(=O)N(CC=C)CC=C)sc2CCCc2c1C#N	EMOLS-id_333691943,MCULE-5683288768	427.477	USPRVIHZJWHVPB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-134899
CCc1nn2C(=O)C(Sc2n1)[C@H](c1ccco1)N1CCN(CC1)C(=O)c1ccco1	PC-id_134715958	427.477	QMAZFZZGIUMRAB-BHWOMJMDSA-N	00000010101010000001000010000000000000000000000000000000	25-01-134900
COc1ccc(cc1)S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1cccnc1	EMOLS-id_316321084,MCULE-9328649207	427.477	KKOQYRGXIMJARV-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-134901
s1c2c(CCC2)c(c1NC(=O)Cn1nc(nn1)c1cc(OC)ccc1)C(=O)OCC	PC-id_4986697	427.477	RPNQWXYKDQSURK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134902
S(=O)(=O)(c1ccc(cc1)OC)NC1Cc2n(ncc2C(=O)NCc2cccnc2)C1	MCULE-8166921456	427.477	KKOQYRGXIMJARV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-134903
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1cccc(c1)C(F)(F)F)C1CCCC1	PC-id_92110040	427.484	SJICVDRSQOTKBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134904
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccc(cc1)C(F)(F)F)C1CCCC1	PC-id_92110041	427.484	LSNQYSFDIXSSIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134905
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CCC2Cc1ccc(cc1)F	PC-id_59180148,SCHEMBL1005453	427.488	AHNXHNOPXGEFJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134906
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCc2n1)c1c(F)ccc(F)c1	PC-id_33040169	427.489	NXSDPYXVARGZOK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134907
S1(=O)(=O)CC(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C=C1	PC-id_55442393	427.492	IZATYSKKEITIGT-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-134908
Cc1cc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)ccc1F	EMOLS-id_324823038	427.493	NONVZHGTDFMKGT-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134909
Fc1ccccc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324830963	427.493	CVCLSKOJKPYBCP-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134910
Fc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324829939	427.493	DPPKEQPKLHLCMJ-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134911
Fc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324830965	427.493	HRZHHNBKTBZANH-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134912
n12c(=O)c(=Cc3ccc(F)c(C)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-7122772625	427.493	NONVZHGTDFMKGT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134913
n12nc(nc1sc(=Cc1ccc(cc1)F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-6205919678	427.493	DPPKEQPKLHLCMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134914
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-6942609731	427.493	CVCLSKOJKPYBCP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134915
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3352024870	427.493	HRZHHNBKTBZANH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-134916
O=C(c1ccccc1Oc1ccccc1)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109298	427.495	KOFFNOWDVNEPKN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134917
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)Oc1ccccc1	PC-id_92109452	427.495	QCPZFRQWMUYPAZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134918
CCCCNC(=O)N1Cc2c(C1)n(nc2N(c1ccc(cc1)OC)C=O)C(=O)C(C)C	PC-id_141257314	427.497	WRQVDWYUCRYAMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134919
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)Oc1ccccn1	PC-id_89236099,SCHEMBL14054273	427.497	LPLOQIPXPGTIAT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134920
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cnc(cc1)Oc1ccccc1	PC-id_89238720,SCHEMBL14057523	427.497	DFYPJXHIMUSUDI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-134921
COc1cc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)cc(OC)c1OC	ZINC22_35330651	427.497	KRZOQXQLPIRKLY-NHTOTWMQSA-N	00000000100100110001000010000000000000000000000000000000	25-01-134922
COc1cc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc(OC)c1OC	ZINC22_9281786,STOCK4S-49515,EMOLS-id_206996678	427.497	KRZOQXQLPIRKLY-TXAFXTDUSA-N	00000000100100110001000010000000000000000000000000000000	25-01-134923
COc1ccc(cc1)CC1=C(C(=O)O)N2[C@H](S1)C(=Cc1cn3c(n1)SCC3)C2=O	PC-id_67717339,SCHEMBL8887806	427.497	QXRVVHDXLZXHML-GOSISDBHSA-N	00001011100000110001001010000000000000000000000000000000	25-01-134924
COc1ccc(cc1)CC1=C(N2C(S1)C(=Cc1cn3CCSc3n1)C2=O)C(=O)O	PC-id_88380550	427.497	QXRVVHDXLZXHML-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-134925
COc1ccc(cc1)COC(=O)C1=CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)SCC2	PC-id_67717337,SCHEMBL8887804	427.497	LSYZSXLAZNFYQO-CQYSBYMNSA-N	00001011100000110001001010000000000000000000000000000000	25-01-134926
COc1ccc(CCN2C[C@@H](C(=O)N[C@@H](C)c3nnc4n3CCC4)CC2=O)cc1OC	PC-id_52525257,ZINC22_58329535	427.497	RTRBNMNTYDMHQH-HOCLYGCPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134927
COc1ccc(CCN2C[C@@H](C(=O)N[C@H](C)c3nnc4n3CCC4)CC2=O)cc1OC	PC-id_52525258,ZINC22_58329537	427.497	RTRBNMNTYDMHQH-ZBFHGGJFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134928
COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)c3nnc4n3CCC4)CC2=O)cc1OC	ZINC22_58329532,PC-id_52525255	427.497	RTRBNMNTYDMHQH-GOEBONIOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134929
COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)c3nnc4n3CCC4)CC2=O)cc1OC	ZINC22_58329534,PC-id_52525256	427.497	RTRBNMNTYDMHQH-GDBMZVCRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134930
COc1cc(CCN2CC(CC2=O)C(=O)NC(c2nnc3n2CCC3)C)ccc1OC	MCULE-8877472891,EMOLS-id_31936092,PC-id_51114981	427.497	RTRBNMNTYDMHQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134931
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)C=Cc1cccs1	EMOLS-id_26342496,MCULE-5637558282	427.497	KRZOQXQLPIRKLY-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-134932
O=C(N1Cc2n(nc(NC(=O)c3ccc(OC)cc3)c2C1)C(=O)C(C)C)NCCCC	PC-id_54767814	427.497	YJCOBWQKTCIOJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134933
S1C2N(C(=O)C2=Cc2nc3SCCn3c2)C(=C1)C(=O)OCc1ccc(OC)cc1	PC-id_76095956	427.497	LSYZSXLAZNFYQO-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-134934
S1[C@H]2N(C(=O)C2=Cc2nc3SCCn3c2)C(=C1)C(=O)OCc1ccc(OC)cc1	PC-id_54051186	427.497	LSYZSXLAZNFYQO-GOSISDBHSA-N	00001011100000110001001010000000000000000000000000000000	25-01-134935
c1(NC(=O)CSc2c(C#N)cc(c(N)n2)C#N)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1963343,CoCoCo_6373126,SPECS-id_AN-153/I106611,MCULE-5711486745,STOCK1S-15870,ZINC22_18240962,PC-id_1924490	427.5	NVHGOEJCAIURQU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134936
OCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508266,SCHEMBL6376859	427.5	GZVADVQGDWKPJA-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-134937
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)C(C)C)C(=O)OC	MCULE-6664604456,PC-id_73550590	427.513	QBMBEMLOEGNPHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134938
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)OC	PC-id_19171158	427.513	QBMBEMLOEGNPHO-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134939
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(SC)ccc1	PC-id_16947315	427.515	LRQPHDHGPICEQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134940
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(SC)cccc1	PC-id_16947257	427.515	YSOBUGHPUKAHGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134941
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4171430109,EMOLS-id_334332844	427.517	IXOBHNXLGBSIOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134942
c1(NC(=O)CNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8227783479,EMOLS-id_334333613	427.517	SKORNROUFHGZKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134943
Cc1cc(cnc1)NC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	PC-id_135200418,SCHEMBL20354005	427.517	DYPOXWNNDUFWAJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-134944
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CCS(=O)(=O)c1ccccc1	PC-id_92109453	427.517	BUWBASWPPBDZHE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-134945
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(N2CCCC2=O)cc1)C(=O)OCC	PC-id_55361730	427.517	QVWODTQIVNLJDJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-134946
s1c2c(CCC2)c(c1NC(=O)CNc1c(C(=O)NC2CC2)cccc1)C(=O)OCC	PC-id_24614887	427.517	CDQDEYFQVOXHPG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-134947
s1c2CCC(C(=O)N3CCC(CC3)C(=O)OC)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947502	427.517	UXFWOZUDIIQNCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134948
s1c2c(nc1NC(=O)c1ccccc1)C(CC2)C(=O)N1CC(CCC1)C(=O)OCC	PC-id_16947022	427.517	GSWJPTKJCBCBJK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134949
s1c2c(nc1NC(=O)c1ccccc1)C(CC2)C(=O)N1CCC(CC1)C(=O)OCC	PC-id_16947023	427.517	QHSMIMLOWWTBCE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134950
c1(NC(=O)COc2cccnc2NC(=O)NCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_321873016,MCULE-1995862920	427.52	ZPKKAKGUTXBDKP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134951
c1(NC(=O)COc2cccnc2NC(=O)NCCC(C)C)sc2c(CCC2)c1C#N	MCULE-1182346232,EMOLS-id_321874811	427.52	NEKJREBNNPCNCU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134952
c1(NC(=O)COc2cccnc2NC(=O)N(C)CCCC)sc2c(CCC2)c1C#N	MCULE-3050236051,EMOLS-id_321859513	427.52	BFDUVJJWQPEBNL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-134953
CN(c1cc2=NC(=C(c3c(cc(cc3)OC)N)N)C=c2s1)C(=O)CN1CCOCC1	PC-id_90077474	427.52	BPBPGFMLKDTMJU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134954
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccccc3)n(nc2C1)CC(=O)NCCC	PC-id_44052925	427.52	OMDKRVUQRPQUAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134955
s1c2c(CCC2)c(c1NC(=O)CCN(CC1OCCC1)Cc1cc(F)ccc1)C#N	PC-id_75924132	427.535	WAYQWFKJPYMFQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134956
s1c2c(CCC2)c(c1NC(=O)CCN(C[C@H]1OCCC1)Cc1cc(F)ccc1)C#N	PC-id_52806079	427.535	WAYQWFKJPYMFQN-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134957
s1c2c(CCC2)c(c1NC(=O)CCN(C[C@@H]1OCCC1)Cc1cc(F)ccc1)C#N	PC-id_52806080	427.535	WAYQWFKJPYMFQN-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134958
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1cc(ccc1)C)C(=O)OC	PC-id_19491104	427.536	APNOEFDVFMIZDQ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134959
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1ccc(cc1)C)C(=O)OC	PC-id_19492937	427.536	LUMLGGBOPCIWJT-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134960
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(cccc1)C)C(=O)OC	PC-id_19498732	427.536	XVDVZPLPXBKTSZ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-134961
Cc1c(ccc(c1)c1nn(c(n1)CCC(C)C)CC(=O)N1Cc2c(C1)sc(n2)C)F	SCHEMBL15024499,PC-id_89623234	427.538	GJONUKXQIMMUJF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134962
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	MCULE-4908269462,PC-id_46861254,EMOLS-id_31548206	427.538	YWHDJBSTOSGLHI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134963
Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)c1	PC-id_52340361,ZINC22_51364408	427.538	YWHDJBSTOSGLHI-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134964
Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)c1	ZINC22_51364407,PC-id_52340360	427.538	YWHDJBSTOSGLHI-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134965
Cc1cccc(N2CCN(CC2)C(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1C	MCULE-7884158877,EMOLS-id_31548204,PC-id_46861253	427.538	MDNBLISWTGXTSY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134966
Cc1cccc(N2CCN(C(=O)[C@@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)c1C	PC-id_52340358,ZINC22_51364405	427.538	MDNBLISWTGXTSY-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134967
Cc1cccc(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)c1C	ZINC22_51364406,PC-id_52340359	427.538	MDNBLISWTGXTSY-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134968
CCCCCc1nc(nn1CC(=O)N1Cc2c(C1)nc(s2)C)c1ccc(c(c1)C)F	SCHEMBL15024436,PC-id_89623184	427.538	GNAUDYQVBUUTTC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134969
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccccc1C(=O)NC1CCCC1	EMOLS-id_328223345,MCULE-3347257646	427.538	OVDGKUXRNIMMPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134970
O=C(c1ccccc1C(=O)c1ccccc1)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109705	427.538	SXUWYUPCNYVBIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134971
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC=C)CC=C)sc2c(CCC2)c1C#N	CoCoCo_1738173,ChEMBL-DNDi_CHEMBL3339-1655,ZINC22_16890278,EMOLS-id_15925533,PC-id_4621067,MCULE-5136399289	427.54	ZOXRHHAVQYTFDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134972
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)cc1	PC-id_16358074,EMOLS-id_43971866,CoCoCo_4164123,MCULE-4972382695,ZINC22_9530888	427.54	IGJKRRAAIHWZKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134973
CC(C[C@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)CN(C)C)C	PC-id_58015657,SCHEMBL1206347	427.54	RBCZGTYMZDXNES-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134974
CC(CC(OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)CN(C)C)C	SCHEMBL1206350,PC-id_66941793	427.54	RBCZGTYMZDXNES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134975
CCCNC(=O)c1ccccc1N1CCN(CC1)CCCn1c(c2CCCn2c1=O)O	BindingDB_PC-id_91931504,PC-id_91931504	427.54	SPZPSYRPTLPZNS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134976
CCCOc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1OCC	EMOLS-id_324834032	427.54	JQECOBNGXOWKJM-PDGQHHTCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-134977
CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2CCCc2s1	PC-id_4065057,ZINC22_9640099,CoCoCo_5031865,MCULE-6671011659,EMOLS-id_5489753	427.54	VUGFDBSPVWUEMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134978
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(C)(C)C)C	SCHEMBL1204704,PC-id_66941240	427.54	XVBWTZHNQZHFHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134979
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(C)(C)C)C	PC-id_24765998,BindingDB_PC-id_24765998,SCHEMBL1204702	427.54	XVBWTZHNQZHFHR-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134980
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)Cc1cccs1	MCULE-7519902776	427.54	JQECOBNGXOWKJM-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-134981
OCCNC(=O)c1ccccc1c1cc(c(s1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_145987692	427.54	NQLCKYNDTYGWSI-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-134982
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)Nc1ccccc1)C(=O)N	PC-id_41182900	427.54	KCCAZNJFSXSGLO-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-134983
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)N	PC-id_40794776	427.54	SCPXWPWDCPAFKA-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-134984
s1c2c(CCC2)c(c1NC(=O)CSc1n(Cc2ccccc2)ccn1)C(=O)OC	PC-id_24381447	427.54	RRWIXBXYDZNDEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134985
s1c2CCCc2c(c1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1)C#N	PC-id_4955516	427.54	YUEYJPJWOONCOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-134986
s1c2CCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2c(ccc(c2)C)C)cc1	PC-id_33040832	427.54	SMIUOMKXFGMESH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134987
s1c2CCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2cc(c(cc2)C)C)cc1	PC-id_33040846	427.54	AIQNZJQAZNASLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134988
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2cc(c(cc2)C)C)cc1	PC-id_33040385	427.54	HYNPONRXPPZOGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134989
c1(NC(=O)CSc2nnc(c3ccccc3)n2CC)sc2c(CCC2)c1C(=O)N	PC-id_3149058,EMOLS-id_1443653,BAS-03931996,MCULE-8157026639,CoCoCo_312011,ZINC22_6878307	427.543	DTBMQMISEBQIGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134990
Cc1ccccc1c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1C	MCULE-3513514822,ZINC22_9256727,PC-id_16381516,SCHEMBL21045434,CoCoCo_3057644,EMOLS-id_11845095	427.543	SSZQLPSFXYMXAX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134991
Cc1ccc(n2c(C)nnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	SCHEMBL21045304,EMOLS-id_3414786,MCULE-1229347208,CoCoCo_3019701,ZINC22_9440939,PC-id_4786632	427.543	BIABZJCNDTVKOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-134992
Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1Cc1ccccc1	PC-id_2078360,MCULE-9460342117,ZINC22_2616564,CoCoCo_3107312,SCHEMBL21045560,EMOLS-id_3262098	427.543	KCUISKQFZHWZSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134993
CC(C)Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccco1	PC-id_2469726,ZINC22_3352618,MCULE-6097272634,CoCoCo_2879898,EMOLS-id_3354750	427.543	UCXNCVGIPYQKTI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-134994
CCCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nnc(c2cccs2)o1	PC-id_16316213,CoCoCo_3595274,CoCoCo_3595273,MCULE-3168815250,ZINC22_8901122,EMOLS-id_48937160	427.543	UCKVANJWSQNERI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-134995
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)Cc1cc(OC)ccc1OC	PC-id_111303161	427.543	QTZZHOVMCBMJLP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-134996
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)Cc1cc(OC)cc(c1)OC	PC-id_109615692	427.543	NZKJKZADSXIDFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134997
CCNC(=NCc1nnc2n1CCC2)NC1CCN(CC1)c1cc(OC)cc(c1)OC	PC-id_109387423	427.543	NBLMSSSQMUPXSM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-134998
CCNC(=NCc1nnc2n1CCC2)NCCc1ccc(cc1)NC(=O)OC(C)(C)C	PC-id_109636189	427.543	KFDMDDHJWDAQHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-134999
CCNC(=NCc1nnc2n1CCC2)NCC(c1ccc(cc1)OC)N1CCOCC1	PC-id_111020371	427.543	LIINXIVYQPMQOD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135000
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_16358792,MCULE-9850678172,EMOLS-id_11803343,SCHEMBL21045330,CoCoCo_2881325,ZINC22_9531837	427.543	TZLZVRAUSSLJGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135001
O=C(NC(C)(C)C)CNC(=NCc1nnc2n1CCC2)Nc1ccc(cc1)OC(C)C	PC-id_111860256	427.543	ZUQRILQTVZYLJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135002
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(cc(cc2)C)C)cnn1)C(=O)N	PC-id_32031617	427.543	YVVIXPHFFIYWNU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135003
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2cc(ccc2)C)c(nn1)C)C(=O)N	PC-id_41129331	427.543	HIUAOTKQUDCNHG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135004
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(cccc2)C)c(nn1)C)C(=O)N	PC-id_41425452	427.543	DSBPHDMZHFNKID-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135005
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1ccc(CC)cc1)C(=O)N	PC-id_5094552	427.543	YNXNJXYGZDJDAM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135006
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C)cn1)C(=O)OC	PC-id_20178430	427.543	YHLUXGKMHOZRHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135007
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cn1)C(=O)OC	PC-id_20178875	427.543	YTHOEJCMVVQFBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135008
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cn1)C(=O)OC	PC-id_20179238	427.543	KTTJPQAWOKPDIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135009
c1(nnc(SCC(=O)Nc2sc3c(CCC3)c2C#N)n1CC)c1cc(n(C)n1)C	ZINC22_2783491,MCULE-9972289538,CoCoCo_6580887,PC-id_4773171,EMOLS-id_4111635	427.546	KTQWDETYJZLKRC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-135010
O=C(N1CC(N(C[C@@H]1C)C)(C)C)N1C(c2[nH]nc(Nc3nc(ncc3)NC)c2C1)(C)C	PC-id_25156025	427.546	SWXPHENIGPYDJO-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-135011
c1(C(=O)N(CCN(C)C)CC2CCCN(Cc3ccccc3F)C2)c2CCCc2[nH]n1	EMOLS-id_20479621,MCULE-5569876238,PC-id_45188854	427.558	ZKVTXUAVHQQRMM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135012
CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2	CoCoCo_1242215,CoCoCo_1242217,CoCoCo_1242213,CoCoCo_1242211,PC-id_42290968,ZINC22_11936711	427.558	ZKVTXUAVHQQRMM-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135013
CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2	PC-id_42290970,CoCoCo_1242212,CoCoCo_1242210,CoCoCo_1242216,ZINC22_11936712,CoCoCo_1242214	427.558	ZKVTXUAVHQQRMM-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135014
c1(c2CCCc2sc1NC(=O)CN1CCCC(C)C1)C(=O)Nc1ccc(cc1)OC	PC-id_2922356,EMOLS-id_2184216,MCULE-6001921469	427.56	PIYLOOYQYCNIPQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135015
c1(c2CCCc2sc1NC(=O)CN1CCCC(C)C1)C(=O)Nc1ccccc1OC	PC-id_4317839,MCULE-3297307875,EMOLS-id_2783538	427.56	LVCBMWWFAVHDRR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135016
C=CCc1c(ccs1)C(=S)c1c(n2CCC(c2c1)C(=O)O)C(=O)c1cscc1	SCHEMBL10920376,PC-id_88691665	427.56	KSENIIQCFYTICC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-135017
C=CCc1cn2c(c1)C(CC2)(C(=O)O)C(=S)c1csc(c1)C(=O)c1cscc1	PC-id_88691667,SCHEMBL10920383	427.56	BZEBEIRTOUZJBL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-135018
CCCOc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1OC	EMOLS-id_324904456	427.56	KNKHDJGKUSMJGK-HKWRFOASSA-N	00000000100010110001000010000000000000000000000000000000	25-01-135019
CCOc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1OCC	EMOLS-id_324903432	427.56	USZOGPPGGGUAHG-HKWRFOASSA-N	00000000100010110001000010000000000000000000000000000000	25-01-135020
COc1ccccc1NC(=O)c1c(NC(=O)CN2CCC[C@H](C)C2)sc2c1CCC2	ZINC22_2072929,CoCoCo_6728252,PC-id_1734465,CoCoCo_6728250	427.56	LVCBMWWFAVHDRR-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135021
COc1ccccc1NC(=O)c1c(NC(=O)CN2CCC[C@@H](C)C2)sc2c1CCC2	ZINC22_2072930,CoCoCo_6728251,CoCoCo_6728253,PC-id_1734467	427.56	LVCBMWWFAVHDRR-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135022
COc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@H](C)C3)sc3c2CCC3)cc1	CoCoCo_865504,ZINC22_4845073,CoCoCo_865506,PC-id_1328210	427.56	PIYLOOYQYCNIPQ-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135023
COc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@@H](C)C3)sc3c2CCC3)cc1	CoCoCo_865505,CoCoCo_865507,ZINC22_4845072,PC-id_1328211	427.56	PIYLOOYQYCNIPQ-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135024
COC(=O)c1c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)sc2c1CCC2	GD-id_ZINC14242473	427.56	ZMVNLLXBSIVCEM-FQEVSTJZSA-O	00000010100100110000000010000000000000000000000000000000	25-01-135025
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)CCC1CCCCC1	MCULE-3329275053	427.56	KNKHDJGKUSMJGK-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-135026
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)CCC1CCCCC1	MCULE-1383920690	427.56	USZOGPPGGGUAHG-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-135027
O=C(CNC(=O)c1cc2c(s1)CCC2)NCc1ccccc1CN1CCC(O)CC1	ZINC22_1875261490	427.56	RBLMHTHLWRGURU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135028
O=C(N(CC1CC[NH+](CC1)Cc1c(OC)cccc1)CCOC)c1n[nH]c2c1CCC2	PC-id_25285915	427.56	HNNVNIOTUHXAHC-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-135029
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OC	PC-id_22199335	427.56	KLBAJIQXTOCVIF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135030
s1c2c(CCC2)c(c1NC(=O)CN1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OC	PC-id_22199628	427.56	FSSAXYYQPHXPSQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135031
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C)C(=O)OCC	PC-id_34732703	427.56	WCGLYMRMXKNQHW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135032
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(cccc1)C)C(=O)OCC	PC-id_8726437	427.56	KTZWZYXKXKQPCN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135033
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)C(=O)OC	PC-id_22194936	427.56	NOSKOIUJALMWJP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135034
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1c(cccc1)C)C(=O)OC	PC-id_22195312	427.56	JFCDIDFUFROLIX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135035
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)C(=O)OCC	PC-id_22198181	427.56	KPFOSWAXOCFZLR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135036
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CCC1)Cc1ccccc1)C(=O)OC	PC-id_16608530	427.56	ZQJRIARJIAVPNX-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-135037
s1c2c(CCC2)c(c1NC(=O)CNc1c(N2CCCCC2)cccc1)C(=O)OCC	PC-id_7922811	427.56	QJMLPNPFCWPPOH-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-135038
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCc1scc(c2ccccc2)n1	EMOLS-id_328218992,MCULE-5579220982	427.561	XDBMQZCFVUHAMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135039
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CC[NH+](CC1)[C@H]1CCS(=O)(=O)C1	PC-id_51621287,GD-id_ZINC22804420	427.561	ICVUQDFKRWHIMZ-LBPRGKRZSA-O	00000010100010000001100010000000000000000000000000000000	25-01-135040
S1(=O)(=O)C[C@H]([NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)CC1	PC-id_51621285	427.561	ICVUQDFKRWHIMZ-GFCCVEGCSA-O	00000010100010000001100010000000000000000000000000000000	25-01-135041
S1(=O)(=O)CC([NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)CC1	PC-id_75687902	427.561	ICVUQDFKRWHIMZ-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-135042
c1(C(=O)OCC)c2CCCc2sc1NC=C(C#N)c1scc(c2cccs2)n1	MCULE-4087547115,PC-id_3756894	427.563	FTMJAIKXFLAEFM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-135043
c1(NC(=O)CSc2scc(c3ccc(cc3)OC)n2)sc2c(CCC2)c1C#N	MCULE-2074946174,EMOLS-id_324909093	427.563	DDZQCHFWXZRUSM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135044
c1(NC(=O)CSc2scc(c3ccccc3OC)n2)sc2c(CCC2)c1C#N	MCULE-7957124073,EMOLS-id_324868685	427.563	SHYDRBZEQKEDGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135045
c1(NC(=O)CSc2scc(c3cccc(OC)c3)n2)sc2c(CCC2)c1C#N	EMOLS-id_324864311,MCULE-1016936194	427.563	QUHPMPHJZORFIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135046
CCOC(=O)c1c(N/C=C(c2scc(n2)c2cccs2)/C#N)sc2c1CCC2	PC-id_2204211,CoCoCo_987318	427.563	FTMJAIKXFLAEFM-BENRWUELSA-N	00000010100100000001100010000000000000000000000000000000	25-01-135047
CCOC(=O)c1c(N/C=C(C#N)/c2nc(cs2)c2cccs2)sc2CCCc12	PC-id_2953794,EMOLS-id_25964156,CoCoCo_987317	427.563	FTMJAIKXFLAEFM-ZRDIBKRKSA-N	00000010100100000001100010000000000000000000000000000000	25-01-135048
CNCCNC(=O)c1c(C)[nH]c2c1CC/C/2=C(c1cc(SNC)ccc1NC=O)/C	PC-id_143004567	427.563	NTCRUUBYJBWPKF-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135049
CN(C(=O)CSc1ccccc1C(=O)NCc1nnc2n1CCC2)C1CCCCC1	EMOLS-id_29632073,ZINC22_40050304,PC-id_45868510,MCULE-5883275217,CoCoCo_4658135	427.563	AJEJDSDDZDHIKO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135050
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)S(=O)(=O)CCOC(C)C	PC-id_109567763	427.565	BCPYCKWNFJPZDX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135051
Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1	EMOLS-id_11749149,CoCoCo_2988004,MCULE-3751819084,ZINC22_8896410,PC-id_16317967,GD-id_ZINC08896410	427.566	RDXNGMCDVRJRLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135052
N#Cc1c(NC(=O)CSc2nnc(NCc3ccccc3)s2)sc2c1CCC2	PC-id_16339344,EMOLS-id_43752513,MCULE-5158266768,CoCoCo_3003705,ZINC22_9056769	427.566	NURRLLVBYBKRAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135053
FCCOc1c(C)cc(cc1C)CNC(=O)c1sc(c2c1CC([C@H]2C#C)C(C)C)C	PC-id_143171830	427.575	PNHYPNFPZPBKSJ-FIWHBWSRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135054
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCCCOCCCCOCCCN	MCULE-9108885508	427.58	ZBYOJPAIOSXJMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135055
O=C(O[C@@H](C(C)(C)C)CN1Cc2c(S1=O)ccs2)NCC(=O)N1CCC[C@H]1C	PC-id_143362644	427.581	WSQIIXCCPUBMNS-TZLLJTPESA-N	00000010100000000001000010000000000000000000000000000000	25-01-135056
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)Cc1c(cccc1)C)C)C(=O)N	PC-id_51633417	427.583	UXJSXUMCTJRBLG-MRXNPFEDSA-O	00000010100010110001000010000000000000000000000000000000	25-01-135057
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)Cc1c(cccc1)C)C)C(=O)N	PC-id_51633419	427.583	UXJSXUMCTJRBLG-INIZCTEOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-135058
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1c(c(ccc1)C)C)C)C(=O)N	PC-id_9460102	427.583	UYCULGXBRSIOJP-INIZCTEOSA-O	00000010100010110001100010000000000000000000000000000000	25-01-135059
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1c(c(ccc1)C)C)C)C(=O)N	PC-id_9460104	427.583	UYCULGXBRSIOJP-MRXNPFEDSA-O	00000010100010110001100010000000000000000000000000000000	25-01-135060
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(N2CCCC2)cccc1)C)C)C(=O)N	PC-id_41145985	427.583	QVVPEYKTFZBYGJ-HNNXBMFYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-135061
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(N2CCCC2)cccc1)C)C)C(=O)N	PC-id_41145988	427.583	QVVPEYKTFZBYGJ-OAHLLOKOSA-O	00000010100000110000100010000000000000000000000000000000	25-01-135062
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)Cc1c(cccc1)C)C)C(=O)N	PC-id_75744950	427.583	UXJSXUMCTJRBLG-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-135063
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1c(c(ccc1)C)C)C)C(=O)N	PC-id_85014469	427.583	UYCULGXBRSIOJP-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-135064
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(N2CCCC2)cccc1)C)C)C(=O)N	PC-id_74749364	427.583	QVVPEYKTFZBYGJ-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-135065
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCCCCC)cc1)C#N	PC-id_4955520	427.583	WOZFJKRIWVGQHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135066
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCCCCCC)cccc1)C#N	PC-id_4955526	427.583	CSWCDIXULRSKNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135067
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1CCCCC1	CoCoCo_2822415,MCULE-4732832897,EMOLS-id_3349841,ZINC22_3348510,PC-id_2465390	427.586	LGLRXFZTCUGKRD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-135068
CCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	SCHEMBL10815289,PC-id_20235117	427.599	KKHQMVCENRLJIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135069
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(Cl)cc(c1)C(F)(F)F	SCHEMBL18740180	427.729	PENLMAOPHFQUCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135070
c1(NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_639242,BAS-00354928,CHEMBL1549816,BindingDB-id_108843,PC-id_3101965,BindingDB_PC-id_3101965,CHEBI:114515,TIMTEC164793,MCULE-3000899969,ChEMBL-DNDi_CHEMBL1549816	427.774	GDPJAJLALUWQKQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135071
c1(NC(C(Cl)(Cl)Cl)NC(=O)C(C)C)sc2c(CCC2)c1C(=O)OCC	TIMTEC296816,CHEBI:109623,CHEMBL1532737,EMOLS-id_1020573,BAS-00354902,ChEMBL-DNDi_CHEMBL1532737,PC-id_3101958,MCULE-6304713728	427.774	LUVINOPLWTUFRM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135072
c1(NC(NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_3101966,ChEMBL-DNDi_CHEMBL1430720,STOCK1S-67745,TIMTEC550507,CHEMBL1430720,BAS-00354929,MCULE-2901960967,EMOLS-id_638810	427.774	XLWWBJQNVNOMPN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135073
CCOC(=O)c1c(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_6599769,CoCoCo_49041,PC-id_40629076	427.774	LUVINOPLWTUFRM-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135074
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(OC)ccc2)cc1	PC-id_16947411	427.904	SMJIUMRGRXTIEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135094
CCOC(=O)c1c(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_6599775,PC-id_40629079,CoCoCo_49040	427.774	LUVINOPLWTUFRM-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135075
COC(=O)c1c(N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49052,ZINC22_822204,PC-id_1098567	427.774	GDPJAJLALUWQKQ-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135076
COC(=O)c1c(N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49053,ZINC22_6074263,PC-id_6549882	427.774	GDPJAJLALUWQKQ-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135077
COC(=O)c1c(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49054,ZINC22_6133929,PC-id_40586363	427.774	XLWWBJQNVNOMPN-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135078
COC(=O)c1c(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_40586368,ZINC22_6133935,CoCoCo_49055	427.774	XLWWBJQNVNOMPN-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135079
COS(=O)(=O)c1ccccc1C(=O)c1cc(c2n1CCC2(C(=O)O)C(=O)O)Cl	SCHEMBL11002082	427.813	BYZKBZZLEXKMEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135080
ClCCCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261707	427.848	HEKAGOILGKPODP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135081
Cc1c(C(=O)C(=O)NC2(CC2)C#C)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134285241,SCHEMBL19900956,BindingDB-id_799400	427.856	IZCNWWHXQRQFPP-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-135082
CCOC(=O)C(OC(=O)c1cc(/N=c/2snc3n2CC(C3)C)c(cc1Cl)F)C	PC-id_21270673,SCHEMBL10545515	427.878	WYTFNZZBZFVQSJ-UZYVYHOESA-N	00000010100000110001000010000000000000000000000000000000	25-01-135083
Clc1ccc(NC(=O)c2n3c(CCC3)c(c2NC(=O)CN2CCOCC2)C#N)cc1	PC-id_393857,CoCoCo_5763415,NSC696784	427.884	TZQALIJJSYTEAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135084
Clc1c(NC(=O)c2n3c(CCC3)c(c2NC(=O)CN2CCOCC2)C#N)cccc1	PC-id_51039303	427.884	OYXMEAGDMDCONO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135085
Cn1ccc(n1)C(=O)NCc1nnc2n1C(CC2)C(=O)NCCc1ccc(cc1)Cl	PC-id_134788749	427.887	VWKCAWMYIDFYTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135086
O=C(Cc1n(C)c(=S)n2c1C(CC2)Cc1c(F)ccc(c1F)Cl)NC1COC1	SCHEMBL21136032,PC-id_139293552	427.896	XRNYHKNFHYJCDT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-135087
C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)C(=O)O	PC-id_134170812,SCHEMBL19771980	427.904	XDRCCSNRFXWNNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135088
CCCOc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324882442	427.904	GUBRKZLJWLJLTD-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135089
CC(C)Oc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324883466	427.904	PLJHYJQFGQDVML-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135090
CC(C)Oc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324841727	427.904	GMUPOPARXJENHG-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135091
CCCOc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324844798	427.904	JSDNVVSIWBWTCM-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135092
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(OC)cc2)cc1	PC-id_16947412	427.904	JHHBSFIEBQUWJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135093
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(OC)cccc2)cc1	PC-id_16947410	427.904	SFWBKLWVBPVIOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135095
Clc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)cc1	PC-id_16947882	427.904	AIOMSVWGTQKYPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135096
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)ccc1OC	PC-id_16947154	427.904	JTFQSUGTKQVGHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135097
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)c(OC)cc1	PC-id_16947126	427.904	UAGRTDHZFYNGEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135098
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)ccc1	PC-id_16947881	427.904	RAQBKLGSEGYDPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135099
COc1ccc(CCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1OC	EMOLS-id_324892170	427.904	RGZKYXMXHWXYPW-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135100
COc1ccc(CCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324891144	427.904	ABRILENUOAQYAL-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135101
COc1ccc(OCCCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324892673	427.904	DEXAWBYDQVHCBD-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-135102
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(Cl)cc4)/c(=O)n3n2)cc1	EMOLS-id_324887567	427.904	DPCINDPUHIRNRQ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-135103
n12nc(nc1sc(=Cc1ccc(cc1)Cl)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3029488907	427.904	ABRILENUOAQYAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135104
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-4365922904	427.904	RGZKYXMXHWXYPW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135105
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCCOc1ccc(OC)cc1	MCULE-3727671159	427.904	DEXAWBYDQVHCBD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135106
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-2342268288	427.904	DPCINDPUHIRNRQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135107
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1ccccc1Cl	MCULE-3866500522	427.904	PLJHYJQFGQDVML-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135108
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1ccccc1Cl	MCULE-4522493663	427.904	GUBRKZLJWLJLTD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135109
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-2208228924	427.904	JSDNVVSIWBWTCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135110
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1ccc(Cl)cc1	MCULE-8997198366	427.904	GMUPOPARXJENHG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135111
Clc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_41151443	427.922	SVONZZSUARDPSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135112
Clc1ccc(cc1)OC(C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)(C)C	PC-id_92109386	427.924	YRTVEBRSIDBIAY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-135113
Clc1ccc(cc1C(=O)Nc1nc2CCCc2s1)S(=O)(=O)N1CCOCC1	MCULE-6239106897,EMOLS-id_334663383	427.926	OKXIMQNGXYFZPM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135114
Clc1c(cc(S(=O)(=O)N(C)C)cc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_24414323	427.926	DDSCQRFIRSBINC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135115
CN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)S(=O)(=O)c1ccc(Cl)cc1	ZINC22_3249206,CoCoCo_3165855,MCULE-5524398381,EMOLS-id_3104419,PC-id_2366330	427.926	DNVBLNIHYCWXKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135116
Cc1csc2nc(Cl)c(/C=c/3sc4nc(CCc5ccccc5)nn4c3=O)n12	EMOLS-id_324839672	427.93	ZJPVLCREUXCPBA-ZROIWOOFSA-N	00000000100000110001000110000000000000000000000000000000	25-01-135117
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CCc1ccccc1	MCULE-3856614934	427.93	ZJPVLCREUXCPBA-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-135118
CCOC(=O)c1c(NC(=O)CSCc2c(F)cccc2Cl)sc2c1CCC2	ZINC22_408564210	427.94	SXQLLNSQYWNDHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135119
Clc1c(Cn2c(c(cc2C)C(=O)COC(=O)c2sc3CCCc3c2)C)cccc1	PC-id_4593597	427.944	VJAMPTBXJFJQFQ-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-135120
CCCCc1cc2n(c1C(=O)c1cccc(c1)Cl)CC=C2C(=O)OCCCCCC	SCHEMBL11604267,PC-id_70619445	427.964	SUFNQHYEDBJVKX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-135121
BrC1=CC(=CC(=CNNC(=O)c2n[nH]c3CCCc23)C1=O)Br	PC-id_5724332	428.079	GAKFNQYLMPVIPP-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-135122
Brc1cc(/C=NNC(=O)c2[nH]nc3c2CCC3)c(c(c1)Br)O	CoCoCo_44526,CoCoCo_44528,SPECS-id_AT-225/NB33024,PC-id_136919913	428.079	JDXKYDOQOULKRL-FMQZQXMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135123
Brc1cc(/C=N/NC(=O)c2n[nH]c3c2CCC3)c(c(c1)Br)O	PC-id_135411737,CoCoCo_44527,EMOLS-id_640576,BAS-00338649,GD-id_ZINC00820796,CoCoCo_44525	428.079	JDXKYDOQOULKRL-UBKPWBPPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135124
c1(C(=O)NN=Cc2cc(Br)cc(Br)c2O)c2CCCc2[nH]n1	MCULE-2412509787	428.079	JDXKYDOQOULKRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135125
CC1=C(N2CCCC2=C1NC(=O)NC(C)C(F)(F)F)C(=O)CC3=CC(=NC=C3)Cl	PC-id_155278777	428.123	UNCDLXAANHOJSL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135126
C[C@@]1(Cn2cc(nc2O1)[N+](=O)[O-])C#Cn1cc(nn1)c1ccc(cc1)Oc1ccccc1	PC-id_163748847	428.123	LOFZSKVRPXVVEF-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135127
Brc1cc(Cl)c(S(=O)(=O)Nc2sc3CCCc3n2)c(Cl)c1	PC-id_60682808	428.152	LJTOLHHMTXDGNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135128
CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)O)C(=O)O	PC-id_153863606	428.181	YBSFNQBROFGBAE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135129
Brc1cc(ccc1Br)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_108400417	428.185	MPCMDVCIQDGXFT-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-135130
CC1=C(C=C(C=C1)NC(=O)C2=CC(=C3N2CCC3)C(=O)C(=O)NC(C)(C)C(=O)NC)F	PC-id_161580540	428.186	ZQBZAOITIGECIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135131
CCOC(=O)c1c(Nc2ccc(cc2F)I)[nH]c2c1CCC2=O	SCHEMBL4789737,PC-id_25124481	428.197	SGYAVQPWVVGPPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135132
c1(C(=O)OCC)c2C(C)CCc2n(Cc2c(cccc2F)I)n1	EMOLS-id_330998768,MCULE-6197484981	428.24	MLBZTIKQXUZEEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135133
c1(C(=O)OCC)c2C(C)CCc2n(Cc2cc(F)ccc2I)n1	EMOLS-id_330999024,MCULE-1956738368	428.24	OOHLLBLJRGHXEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135134
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1cc(F)ccc1I	MCULE-9564337050,EMOLS-id_330979771	428.24	DPUGACFLCFKOAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135135
CCOC(=O)c1c2C(C)CCc2nn1Cc1c(F)cccc1I	EMOLS-id_330979515,MCULE-3210458120	428.24	WZFFQGYZBCTYIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135136
Brc1c2n(CCC2C(=O)O)c(c1)C(=O)c1cc(S(=O)(=O)OC)ccc1	SCHEMBL11006698,PC-id_20404960	428.254	NOIOCVVWSPYJQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135137
Brc1c2n(CCC2C(=O)O)c(c1)C(=O)c1c(S(=O)(=O)OC)cccc1	PC-id_57285034	428.254	BIGKDEKKZXDYHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135138
Brc1ccc(C(=O)c2n3c(C(OC(=O)O)CC3)cc2S(=O)(=O)C)cc1	PC-id_70450558,SCHEMBL10817774	428.254	QJHDMIGVEIOLPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135139
Brc1oc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_16522500	428.254	SYRZPEDLVZCXQA-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-135140
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(Br)o1)C(=O)OC	PC-id_19237277,MCULE-1747070195	428.254	BTTHDSUZTJTXIS-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-135141
CC(=O)OC(c1cc2c(o1)CCC2)C1(C2N(C1=O)C(=CS2)C(=O)O)Br	PC-id_91131623	428.254	GGLKLKPAQBQHFS-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-135142
Brc1cc(F)c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24384020	428.273	HTVSBOMVLCXHOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135143
Fc1cc(Br)ccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_324918284	428.278	GMVVBTOWNNPNFF-RKQKHZQPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135144
Fc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1Br	EMOLS-id_324918025	428.278	UCVYZAPGKUZJDL-SZFVZERQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135145
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)C=Cc1ccc(cc1)F	MCULE-9880922327	428.278	YBSYMAZYPXBUQF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135146
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)C=Cc1ccc(cc1)F	MCULE-8935847751	428.278	NKMHPVKZTSRJLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135147
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)C=Cc1ccccc1	MCULE-7824203025	428.278	GMVVBTOWNNPNFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135148
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)C=Cc1ccccc1	MCULE-4004865610	428.278	UCVYZAPGKUZJDL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135149
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1Cl)Cl)C(=O)OC	STOCK2S-60120,EMOLS-id_1088844,PC-id_2787423,MCULE-3791403362	428.286	ADJLUGLZZSPSOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135150
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(c(Cl)c1)Cl)C(=O)OC	SPECS-id_AF-399/13428131,Chemmine_6957,EMOLS-id_1859349,STOCK2S-64986,MCULE-8115338503,PC-id_2789259	428.286	FZTLYDZZCLQCIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135151
c1(C(=O)O)cc(Cl)c(Cl)cc1C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-3355447632,EMOLS-id_327784884	428.286	LBZMYUKQOZRWLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135152
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1Cl	PC-id_16523105	428.286	ATXWVCHRFALNRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135153
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_24363650	428.286	LXVRCCYEKZIGDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135154
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(Cl)cc1	PC-id_16523142	428.286	QBQNLVZYJZLQOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135155
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_16523194	428.286	SDKOMTQAFPNBOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135156
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_1708430,ZINC22_729913,PC-id_1051224	428.286	ADJLUGLZZSPSOZ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-135157
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1[C@H](C(=O)OC)CC2	ZINC22_729912,PC-id_1051223,CoCoCo_1708431	428.286	ADJLUGLZZSPSOZ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135158
COC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1051246,CoCoCo_724514,ZINC22_729940	428.286	FZTLYDZZCLQCIU-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-135159
COC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_729939,PC-id_1051245,CoCoCo_724515	428.286	FZTLYDZZCLQCIU-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135160
Clc1c(N)c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(Cl)c1	PC-id_51548106	428.29	HJGGRXKJZHIMEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135161
c1(NC(=O)c2cc(OC)c(c(OC)c2Br)OC)n(C)nc2CSCc12	MCULE-8797115452,EMOLS-id_334564533	428.301	GKLKGWMCZGBNMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135162
Brc1ccccc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324849406	428.302	VJUUELKYLCFHAY-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135163
Brc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324846332	428.302	KGFRSSUNBDJHHM-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135164
Cc1ccc(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	EMOLS-id_324868612	428.302	OKLQEHFBSSONPK-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135165
Cc1ccc(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_324867591	428.302	AQKCUKWDJVBRJB-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135166
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCOc1ccccc1	MCULE-1261020855	428.302	VJUUELKYLCFHAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135167
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)CCOc1ccccc1	MCULE-4794778808	428.302	KGFRSSUNBDJHHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135168
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)COc1ccc(cc1)C	MCULE-3202041900	428.302	OKLQEHFBSSONPK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135169
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1ccc(cc1)C	MCULE-9553310372	428.302	AQKCUKWDJVBRJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135170
s1c2CC(C(=O)c2cc1C(=O)Cc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C)(C)C	PC-id_58540313	428.325	IKJPCOKYIBMSNT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135171
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCC)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL7792309,EMOLS-id_2469768,ZINC22_2852776,PC-id_2206418,CoCoCo_991956,MCULE-8833737849,TIMTEC347319	428.329	NZDIZCXFCJVADF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135172
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-9939151095,PC-id_1661318	428.329	HUCVESWAJVEGEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135173
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_2787713,EMOLS-id_663123,TIMTEC93739,SPECS-id_AE-641/11157167,MCULE-9201376053	428.329	CCFBUWHMLIIGAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135174
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCC2	PC-id_1628387,CoCoCo_1673878,ZINC22_1886773	428.329	CCFBUWHMLIIGAS-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-135175
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCC2	ZINC22_1886770,PC-id_1628385,CoCoCo_1673877	428.329	CCFBUWHMLIIGAS-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135176
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322862311,MCULE-6233569314	428.334	WYFXWQJVYHNSKI-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-135177
c1(NC(=O)c2ccc(nc2C)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322862567,MCULE-9598817038	428.334	MDWTXULCGQDXKN-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-135178
ClC(=Cc1cc(/N=c/2snc3n2CC(C3)(C)C)c(cc1Cl)C)P(=C)(C)C	PC-id_59933026	428.359	ARWSVZHLHCKCHL-BHKSAEHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135179
Brc1sc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_28025114	428.367	RTDGIWDFVMWWDB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-135180
CC1=C(C)[Se]C(=CC=C2SC3=C(S2)SCS3)[Se]1	PC-id_101576951	428.377	XIUNHOSGMOCAIF-UHFFFAOYSA-N	00000011000000000001000010000000000000000000000000000000	25-01-135181
NC(=O)c1c(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)sc2c1CCC2	CoCoCo_2945909,PC-id_2399855,MCULE-2093211717,ZINC22_3284314,EMOLS-id_3158608	428.382	GBRMGZKTQKQRBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135182
COc1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324839155	428.394	NUTDKQLUOWSBSP-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135183
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)Cc1ccc(F)cc1	MCULE-2112088543	428.394	NUTDKQLUOWSBSP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135184
CCN1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	BindingDB-id_435294,PC-id_118483474,BindingDB_PC-id_118483474,SCHEMBL17222998	428.399	YOWKPWSHXYIUJQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135185
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F)N1CCC1	SCHEMBL2163238,PC-id_24772155	428.401	NRGMKYCQGMJWNW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-135186
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1c(F)cccc1F	SCHEMBL3485480,PC-id_24948073	428.407	LLFIJWWPANXORB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135187
Fc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4c(F)cccc4)c3C2)(C)C)c(F)ccc1	PC-id_24947138,SCHEMBL3484573	428.407	ATOKRNBBTRUYOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135188
c1(NC(=O)c2cccc(c2)C(F)(F)F)c2CSCc2nn1CC(=O)NCCOC	MCULE-4706980467,PC-id_30862232,EMOLS-id_24913241,CoCoCo_5277553,ZINC22_23138909	428.429	UKIZGRCYJDKHHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135189
c1(NC(=O)c2ccccc2C(F)(F)F)c2CSCc2nn1CC(=O)NCCOC	MCULE-7160924917,ZINC22_23138906,PC-id_30862229,CoCoCo_5277552,EMOLS-id_24913239	428.429	CIMQBLDLBZTRQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135190
FC(F)(F)c1ccc(cn1)C(CNC(=O)C1COc2ncsc12)N1CCOCC1	SCHEMBL15903700,PC-id_90303534,BindingDB_PC-id_90303534,BindingDB-id_412961	428.429	FBNQMSCEOQSEST-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-135191
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C(F)(F)F)CC(=O)NCCOC)C1	PC-id_44052947	428.429	XQOARSZLSVULNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135192
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(c2ccc(F)cc2)cc1)C(=O)N	PC-id_46812306	428.433	YRUWJRXUTXFEEE-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-135193
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(c2c(F)cccc2)cc1)C(=O)N	PC-id_46812959	428.433	QRGLZVQIDXGCQA-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-135194
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1n(c2ccc(F)cc2)cnc1)C(=O)N	PC-id_29552168	428.437	CKAYYNGCQZWHIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135195
CC1(c2c(CN1C(=O)O)c(n[nH]2)NC1CCCN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])C	SCHEMBL20741129,PC-id_137497873	428.442	WIJOTGFJRGTOHB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135196
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCC(C1)Nc1nn(c2c1CNC2(C)C)C(=O)O	SCHEMBL17872119,PC-id_121438523	428.442	ZDDMRKIEXQPRDN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135197
O(C(=O)c1nc(NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)cnc1C(=O)OC)C	PC-id_59702993	428.445	XVQQNGIUSDFNLY-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-135198
c1(NC(=O)c2ccc(c(F)c2)F)c2CSCc2nn1CC(=O)NCc1ccccc1	MCULE-7081699034,ZINC22_23139436,CoCoCo_5277741,EMOLS-id_24913497,PC-id_30862684	428.455	HBEQPXWMSBLKMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135199
S1Cc2c(nn(c2NC(=O)c2ccc(F)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053620	428.455	MWAFDXLXBPBYFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135200
S1Cc2c(nn(c2NC(=O)c2cc(F)ccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053619	428.455	DVZNADQSAQFUTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135201
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053618	428.455	XHNUTZGIKVEYEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135202
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2F)CC(=O)NCc2ccccc2)C1	PC-id_44053410	428.455	SAUSHGMREKKQMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135203
S1Cc2c(nn(c2NC(=O)c2c(F)cc(F)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053368	428.455	SSHVNFANGZYZFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135204
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)C(=O)N)C)F	PC-id_134599082,SCHEMBL20252983	428.457	ZFYBHPQGNZFFHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135205
c1(NC(=O)c2cc(on2)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	MCULE-3101719016,TIMTEC84877,EMOLS-id_31499338,ZINC22_46086526,PC-id_52232586	428.458	BSEJZWBRBCNYPM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135206
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)N(Cc1occc1)C	PC-id_29437091	428.458	ISSAAFFQYMLIFR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-135207
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(cc1)C(=O)OC)C(=O)N	PC-id_24379100	428.458	DLMNOASOZWYTTI-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135208
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(cc1)C(=O)OC)C(=O)N	PC-id_74266700	428.458	DLMNOASOZWYTTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135209
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1)C(=O)C	PC-id_46228532,BindingDB_PC-id_46228532	428.46	HWDWCGDAWFQTRB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135210
S(=O)(=O)(Nc1cc(/C(=N/Cc2n3CCCc3nn2)/[O-])ccc1)c1cc(F)c(cc1)C	PC-id_51616302	428.46	XXEKBTMPBXEXEY-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-135211
S(=O)(=O)([N-]c1c(F)cccc1)c1cc(C(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_51650824	428.46	LZFUYMFVOHRROB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135212
S(=O)(=O)([N-]c1c(F)cccc1)c1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_52243683	428.46	NIRSKOZNMRQIHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135213
O=C(Nc1sc2c(c1C(=O)NC(=O)N(C)C)CCC2)C=Cc1cccc(c1)[N+](=O)[O-]	PC-id_92046517	428.462	SYPXTOPXVBXHSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135214
c1(NC(=O)C(C)Oc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_17012700,TIMTEC70666,MCULE-4412206185,EMOLS-id_10105480	428.477	BCPVDISQHVHAIQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-135215
c1(NC(=O)C(C)Oc2ccccc2F)sc2c(CCC2)c1C(=O)NCc1ccco1	TIMTEC404405,MCULE-6349166810,PC-id_17012862,EMOLS-id_10105770	428.477	QKUOSGVROBQTHN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-135216
C[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	PC-id_35042922,ZINC22_27663421,CoCoCo_6330167	428.477	QKUOSGVROBQTHN-CYBMUJFWSA-N	00000010101000110000000010000000000000000000000000000000	25-01-135217
C[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	PC-id_35042924,ZINC22_27663423,CoCoCo_6330168	428.477	QKUOSGVROBQTHN-ZDUSSCGKSA-N	00000010101000110000000010000000000000000000000000000000	25-01-135218
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	ZINC22_27663151,PC-id_35042736,CoCoCo_6329982	428.477	BCPVDISQHVHAIQ-CYBMUJFWSA-N	00000010101000110000000010000000000000000000000000000000	25-01-135219
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	ZINC22_27663154,PC-id_35042739,CoCoCo_6329981	428.477	BCPVDISQHVHAIQ-ZDUSSCGKSA-N	00000010101000110000000010000000000000000000000000000000	25-01-135220
s1c2c(CCC2)c(c1NC(=O)CCc1oc(c2ccc(F)cc2)cn1)C(=O)OCC	PC-id_52088813	428.477	ILDVWFAHCXEMHF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135221
Cc1cc(ccc1F)S(=O)(=O)N[C@H]1Cc2cc(nn2C1)C(=O)NCc1ccccc1	MCULE-7129647026,EMOLS-id_316333877	428.48	DQROZQIGFZTOBT-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135222
S(=O)(=O)(c1ccc(c(C)c1)F)NC1Cc2n(nc(C(=O)NCc3ccccc3)c2)C1	MCULE-5623701014	428.48	DQROZQIGFZTOBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135223
Cc1c(nc2n1c(=O)c(=C(c1cccc(c1)c1ccc(cc1)F)c1c[nH]nc1)s2)C=C	PC-id_91428719	428.481	MJNOQDQVKGXBSJ-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-135224
C=Cc1nc2n(c1C)c(=O)c(=C(c1c[nH]nc1c1ccc(cc1)F)c1ccccc1)s2	SCHEMBL2421419	428.481	RAURGTKNAJXFLX-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-135225
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1204604,PC-id_57523674	428.482	OEMLFYPRRFDJCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135226
COc1ccc(cc1)C(=O)Nc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C(C)C	PC-id_141417094	428.482	MYYSILZCEIYNSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135227
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)C(C)C)c1ccc(cc1)OC	PC-id_141257343	428.482	VMAUSPKVUXLTDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135228
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)N	PC-id_70005919,SCHEMBL7153796	428.485	FBTYCKPXNCKBHK-RIYZIHGNSA-N	00000010110000110000000010000000000000000000000000000000	25-01-135229
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)N	SCHEMBL7153793	428.485	FBTYCKPXNCKBHK-ZSOIEALJSA-N	00000010110000110000000010000000000000000000000000000000	25-01-135230
O=C1Nc2c(C1=Cc1ccc[nH]1)cc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)N	SCHEMBL7153797,PC-id_70005917	428.485	FBTYCKPXNCKBHK-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-135231
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCc1ccc(OS(=O)N)cc1	PC-id_59043155	428.485	OORPLEXCSUVGFM-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-135232
COc1ccc(c2nn(Cc3ccccc3)cc2C(=O)NCc2nnc3n2CCC3)cc1	PC-id_45864939,ZINC22_40037549,EMOLS-id_29631491,MCULE-5809454194,CoCoCo_4560503	428.486	HQUSLHFMYIWEGA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135233
COc1cccc(c2nn(Cc3ccccc3)cc2C(=O)NCc2nnc3n2CCC3)c1	CoCoCo_4560494,EMOLS-id_24029732,PC-id_30094232,MCULE-5491252398,ZINC22_22191616	428.486	LUVMFXRMYLREHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135234
c1(NC(=O)c2cccc(c2)OC(=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333603,MCULE-5377118006	428.501	RNBUYVBEQKBULQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135235
c1(NC(=O)c2ccc(cc2)OC(=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1707666333,EMOLS-id_334332847	428.501	KDLWJFALXUAWIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135236
c1(NC(=O)c2ccccc2OC(=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_18883695,MCULE-7611964687	428.501	BGLJSHBMQBYPEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135237
CCOC(=O)c1c(NC(=O)C2CC(O)CN2C(=O)c2ccccc2)sc2CCCc12	MCULE-6976705814,EMOLS-id_328194191	428.501	IHGKMFIAOFXBKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135238
CCOC(=O)c1c(NC(=O)C2CN(C(=O)C2)c2ccc(OC)cc2)sc2CCCc12	MCULE-5483574220,EMOLS-id_327969988	428.501	HYYFQUHBJPHZAD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135239
COc1ccc(c(c1)OC)N1CC(CC1=O)C(=O)Nc1sc2c(c1C(=O)C)CCC2	PC-id_102562831,EMOLS-id_50571347,MCULE-7872528372	428.501	RMSOTFVRCRFRSL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135240
COc1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)C)CCC4)CC2=O)c(OC)c1	PC-id_99794646,ZINC22_170610476	428.501	RMSOTFVRCRFRSL-CYBMUJFWSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135241
COc1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)C)CCC4)CC2=O)c(OC)c1	ZINC22_170610477,PC-id_99794647	428.501	RMSOTFVRCRFRSL-ZDUSSCGKSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135242
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)/C=C/C(=O)OCC)C(=O)OC	PC-id_24583389	428.501	FFPTYHZAQSJPKJ-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135243
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C=CC(=O)OCC)C(=O)OC	PC-id_74299394	428.501	FFPTYHZAQSJPKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135244
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OCC(C)C)cc1)C#N	PC-id_16503126	428.501	NIUBKYAHHDBWDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135245
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1c(ccc(c1)C)C)C(=O)N	PC-id_45631597	428.501	RGTIINYCWUXGCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135246
Fc1cccc(CNC(=O)NCC2CCc3ncc(C(=O)NCCN4CCCC4)n23)c1	EMOLS-id_55740690	428.503	RJKWEJXTLILKNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135247
O=C(NCc1cccc(F)c1)NC[C@H]1CCc2ncc(C(=O)NCCN3CCCC3)n12	ZINC22_306137894	428.503	RJKWEJXTLILKNN-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135248
O=C(NCc1cccc(F)c1)NC[C@@H]1CCc2ncc(C(=O)NCCN3CCCC3)n12	ZINC22_306137895	428.503	RJKWEJXTLILKNN-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135249
c12c(CCC1C(=O)N1CCC(CC1)C(=O)N)sc(NC(=O)c1ccc(cc1)OC)n2	EMOLS-id_12347979,MCULE-8101835891,PC-id_16947958	428.505	IQXCJMGZBMEBLL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135250
c12c(CCC1C(=O)N1CCN(CC1)C(=O)C)sc(NC(=O)c1ccc(cc1)OC)n2	MCULE-8446386287,EMOLS-id_12347943,PC-id_16947940	428.505	AAEBSUJKJNRTHR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135251
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCC(CC2)C)sc2c(CCC2)c1C(=O)N	PC-id_49875990,ZINC22_16004376,EMOLS-id_31492401,MCULE-3999062278,SPECS-id_AN-153/KC16260	428.505	SYHRDTQQPTVEKK-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-135252
c1(NC(=O)COc2cccnc2NC(=O)OCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_321794598,MCULE-6468322162	428.505	DWOZGVDMWWYVPY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135253
c1(NC(=O)COc2cccnc2NC(=O)OCCC(C)C)sc2c(CCC2)c1C#N	MCULE-4061445529,EMOLS-id_321797925	428.505	NKEZMEYVEPAXLB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135254
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CC)sc2CCCc2c1C#N	EMOLS-id_331925782,MCULE-9005591268	428.505	WDHRYKNDUSRLCX-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-135255
COc1ccc(cc1)CCN1C(=O)N[C@H](C1=O)CCC(=O)Nc1sc2c(n1)CCC2	PC-id_75490126,ZINC22_96231782,STOCK7S-47049,MCULE-4027209628,EMOLS-id_49248536	428.505	RRBXOCIPZLYEQC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135256
COc1ccc(CCN2C(=NC(CCC(=O)/N=c/[nH]c4CCCc4s3)C2=O)O)cc1	MCULE-6151598001,PC-id_75531877,EMOLS-id_50404230	428.505	RRBXOCIPZLYEQC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-135257
COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1	PC-id_99870954,ZINC22_206237366	428.505	RRBXOCIPZLYEQC-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135258
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCC(C(=O)N)CC2)cc1	PC-id_41007559,ZINC22_9301766,CoCoCo_5124900	428.505	IQXCJMGZBMEBLL-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135259
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCC(C(=O)N)CC2)cc1	ZINC22_9301765,CoCoCo_5124901,PC-id_41007558	428.505	IQXCJMGZBMEBLL-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135260
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCN(C(=O)C)CC2)cc1	CoCoCo_5124893,ZINC22_9301698,PC-id_41007514	428.505	AAEBSUJKJNRTHR-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135261
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCN(C(=O)C)CC2)cc1	ZINC22_9301697,PC-id_41007513,CoCoCo_5124892	428.505	AAEBSUJKJNRTHR-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135262
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1)C(=O)OCC	PC-id_5109543	428.505	WZPUPADIQDVSBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135263
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)OCC	PC-id_6272737	428.505	WZPUPADIQDVSBJ-WSDLNYQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135264
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCC	PC-id_16947028	428.505	UOBKXUWZSBSXAS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135265
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1ccc(cc1)C)C(=O)OCC	PC-id_49707505	428.505	YXZICWGLVFFCBA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135266
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1Cc1ccc(cc1)F	EMOLS-id_335786663,MCULE-6601033077	428.506	YIJZMAOBJQBNIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135267
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1Cc1ccccc1F	EMOLS-id_335791524,MCULE-2977668223	428.506	MDZXVANUFWULLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135268
CCCCCCCCCCCCCCCCCc1[se]c2c(n1)CSC2	PC-id_142750052	428.577	LGKLQRAJPWSFKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135401
c1(NC(=O)COc2cccnc2NC(=O)NCCN(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321871995,MCULE-8169802170	428.508	CDMNHYHLPZZNTG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135269
O=C(c1n[nH]c2c1CC(C2)(C)C)Nc1cnn(c1)C(c1cccnc1)CS(=O)(=O)C	PC-id_73291858,SCHEMBL16765242	428.508	KUWLIGSDXVIVJU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-135270
s1c2c(CCC2)c(c1NC(=O)CSc1[nH+]c(N)c(cc1C#N)C#N)C(=O)OCC	PC-id_1924489	428.508	NVHGOEJCAIURQU-UHFFFAOYSA-O	00000010100000101000000010000000000000000000000000000000	25-01-135271
c1(NC(=O)CS(=O)CC(=O)OCCOCCOCC)sc2c(CCC2)c1C#N	MCULE-2074375729,EMOLS-id_320677227	428.523	WRQASCPUFRYKEO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135272
Cc1c(ccc(c1)c1nn(c(c1)CCCOC)CC(=O)N1Cc2c(C1)sc(n2)C)F	PC-id_89607972,SCHEMBL15002061	428.523	KYJPZCDSXUVCIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135273
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)NCc1ccc(F)cc1)CC)C#N	PC-id_55481926	428.523	KOVPONZKUSNWDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135274
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC(=O)OCCOC)C(=O)OCC	PC-id_17338820	428.523	NXRXZDAFLVPINX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135275
c1(NC(=O)CCC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2473005892,EMOLS-id_334337964	428.524	MKLRUOOFBPDIST-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-135276
COc1ccc(cc1)/C=C/1SC(=O)N(C1=O)CCNC(=O)c1sc2c(c1)CCC2	CoCoCo_3230205,PC-id_2402933	428.524	HRAFIMLVWMBGIJ-WQRHYEAKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135277
COc1ccc(cc1)C=C1SC(=O)N(C1=O)CCNC(=O)c1sc2c(c1)CCC2	PC-id_2402931,EMOLS-id_43815906,MCULE-8414274288	428.524	HRAFIMLVWMBGIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135278
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1	MCULE-9009880153,CoCoCo_3335277,PC-id_2348923,EMOLS-id_43847036,ZINC22_3230819	428.524	LQGSGYDAZSSMEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135279
COc1ccc(/C=C/SC(=O)N(CCNC(=O)c3cc4c(s3)CCC4)C2=O)cc1	CoCoCo_3230206,ZINC22_96398805	428.524	HRAFIMLVWMBGIJ-WOJGMQOQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135280
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc4c(s3)CCC4)c2)cc1	ZINC22_9183569,MCULE-2633044881,EMOLS-id_48976521,PC-id_4401364,CoCoCo_3758954	428.524	PQLVGPLLOJHEIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135281
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1	ZINC22_12532540,MCULE-8623153291,PC-id_17446788,CoCoCo_3867559,EMOLS-id_13468761	428.524	FVJPXPPBXHNCAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135282
s1c2CCCc2cc1C(=O)OCc1nc(sc1)CC(=O)Nc1c(OC)cccc1	PC-id_45637957	428.524	MDDOZEQFSMOFSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135283
s1c2CCCc2cc1C(=O)OCc1nc(sc1)N(c1c(OC)cccc1)C(=O)C	PC-id_40924942	428.524	JJIMMMDYPWOBBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135284
COc1cc(NC(=O)N(C2CCCC2)Cc2nn(c3c2CCC3)C)cc(c1OC)OC	PC-id_92109981	428.525	ZWEDEMFIEPIRSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135285
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)C2(CCCC2)c2ccccc2)n1	MCULE-1407823347	428.526	SACHYTPGWYSNCE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135286
c1(C(=O)NCc2ccccc2)cc2n(C[C@H](C2)NC(=O)C2(CCCC2)c2ccccc2)n1	EMOLS-id_316330805,MCULE-1380104813	428.526	SACHYTPGWYSNCE-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135287
CC(C)Cn1c(CNC(=O)c2n[nH]c3c2CCC3)nnc1SCc1ccccc1F	PC-id_42479095,MCULE-4631215550,EMOLS-id_20657891,CoCoCo_1505898,ZINC22_12240842,CoCoCo_1505897	428.526	KIOTTXTZEYECTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135288
c1(NC(=O)c2cccs2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	CoCoCo_5277781,PC-id_30862780,EMOLS-id_24913567,ZINC22_23139554,MCULE-6313440758	428.528	UDRGHRXRDSMKQQ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-135289
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)nc(C)n1	CoCoCo_3239707,MCULE-3449716297,EMOLS-id_2985818,ZINC22_3230785,PC-id_2348883,GD-id_ZINC03230785	428.528	AOPXBQOPXYJKOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135290
CCC1(c2nn(c(c2CN1C(=O)NC(CN(C)C)c1ccccc1)N)C(=O)OCC)C	PC-id_89804029	428.528	WGHUSIZXLVNBDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135291
CCOC(=O)n1nc2c(c1N)CN(C2(C)CC)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL15256629	428.528	WGHUSIZXLVNBDY-PLEWWHCXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135292
COc1ccc(n2ccnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	MCULE-1725560583,ZINC22_9378228,EMOLS-id_11838824,CoCoCo_4181849,PC-id_16378960	428.528	JTUISTJVZBDBLC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135293
COC(=O)c1c(NC(=O)CSc2nnc(C)n2c2ccccc2)sc2c1CCC2	MCULE-6600091611,PC-id_2407063,ZINC22_3291430,CoCoCo_3092703,EMOLS-id_3165098,SCHEMBL21045497	428.528	WVLKMCKVLHZBGA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135294
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(cccc2)C)cnn1)C(=O)OC	PC-id_41424660	428.528	OIYOLAKMKULQGB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135295
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2ccccc2)cnn1)C(=O)OCC	PC-id_4819199	428.528	AGHBSVCMIFHINO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135296
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2cc(OC)ccc2)ccn1)C(=O)N	PC-id_27387508	428.528	FAXBIHXNUPMAPY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135297
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1ccccc1)C(=O)OCC	PC-id_24385767	428.528	HXTTYHIVYASVMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135298
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)C)C(=O)OC	PC-id_19727916	428.528	FTDDIIFMLBZTDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135299
S1Cc2c(nn(c2NC(=O)c2c(SC)cccc2)CC(=O)NCc2occc2)C1	PC-id_44053325	428.528	ZCVDTMHYWHFUOV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-135300
Cc1ccc(n2nnnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(C)c1	ZINC22_9316214,CoCoCo_2862371,MCULE-6463863364,PC-id_3898426,EMOLS-id_3405294	428.531	LRTFLFDUFYNADN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135301
CCOc1ccnc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1	PC-id_59333941,SCHEMBL3327583,BindingDB-id_546121,BindingDB_PC-id_59333941	428.531	VFPDTTYPIIITKQ-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-135302
CCOc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@H]1C)C	SCHEMBL20503309,PC-id_135331903	428.531	TVWXKFDCOKGEPB-ZIAGYGMSSA-N	00000010100010100001000010000000000000000000000000000000	25-01-135303
CCOc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C	SCHEMBL3327799,PC-id_68597581	428.531	TVWXKFDCOKGEPB-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-135304
O=C(N1C(c2[nH]nc(Nc3nc(OCC)ccn3)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72257731	428.531	VFPDTTYPIIITKQ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-135305
O=C(N1C(c2[nH]nc(Nc3nc(OCC)ncc3)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_77528925	428.531	TVWXKFDCOKGEPB-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-135306
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(cc1)C)C(=O)N	PC-id_24496707	428.531	ZUFBYZISDCTBDK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135307
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(cccc1C)C)C(=O)N	PC-id_29577999	428.531	AOOAAXVRKLWQDK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135308
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1cc(c(cc1)C)C)C(=O)N	PC-id_29604238	428.531	YOFMTIPEUIQBKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135309
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)CNc1ccc(cc1)CO)C(=O)O	SCHEMBL20353892,PC-id_135200312	428.544	NDPOENLULTWICM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135310
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335915,MCULE-6532706919	428.544	ZYZTZZXKIRTYDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135311
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1126619034	428.544	WWSHVHQDKGQMHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135312
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332843,MCULE-8694077145	428.544	USDPETYQBAJIKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135313
c1(NC(=O)CCc2ccccc2OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334890,MCULE-6384364847	428.544	PJDXPZVCMGALMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135314
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCC(C)C)sc2c(CCC2)c1C(=O)N	MCULE-9920413301,PC-id_73568432	428.544	SKJSPXUMJRVWCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135315
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCCCC)sc2c(CCC2)c1C(=O)N	PC-id_73550384,MCULE-3401843075	428.544	VMIKNHPQCMQGAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135316
c1(NC(=O)CCc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3408691549,EMOLS-id_334335146	428.544	VUAJHRGYLPUGNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135317
c1(NC(=O)C=Cc2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)N	MCULE-4734172280,PC-id_78258057	428.544	ZNQOQRYLMJQORI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135318
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6906153943,EMOLS-id_334332586	428.544	LLQOOLAUTDMNRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135319
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334336419,MCULE-7584356034	428.544	OHGIIHIPDGURFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135320
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9386485455,EMOLS-id_334335908	428.544	CHRQMSVHQYMIRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135321
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_8821899,TIMTEC605845,PC-id_3484313,MCULE-9307365500	428.544	ZVRXCYPAYBYYEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135322
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8517371992,EMOLS-id_334336674	428.544	XQWMBPYZBDMLKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135323
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	TIMTEC432317,EMOLS-id_8821897,MCULE-6770476321,PC-id_5003275	428.544	RQEFXUFWQXZVSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135324
Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)c1C	PC-id_1281597,ZINC22_1100664,CoCoCo_6019296	428.544	ZVRXCYPAYBYYEL-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135325
Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)c1C	PC-id_1281598,ZINC22_1100665,CoCoCo_6019295	428.544	ZVRXCYPAYBYYEL-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135326
Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc1C	CoCoCo_6019297,PC-id_1281596,ZINC22_1100663	428.544	RQEFXUFWQXZVSR-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135327
Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)cc1C	ZINC22_1100662,CoCoCo_6019298,PC-id_1281595	428.544	RQEFXUFWQXZVSR-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135328
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCCOC)cc1	EMOLS-id_334386711	428.544	WWSHVHQDKGQMHW-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135329
CCOC(=O)c1c(NC(=O)CCCCCNC(=O)c2ccccc2)sc2CCCc12	MCULE-4484144471,EMOLS-id_327953017	428.544	LCIHTCDMQUJMNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135330
CCOC(=O)c1c(NC(=O)C(C)(C)C(=O)N(CC)c2ccccc2)sc2CCCc12	MCULE-2505655152,EMOLS-id_328166379	428.544	MWANHNBONINJLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135331
CCOC(=O)c1c(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2CCCc12	MCULE-8026168387,EMOLS-id_327779567	428.544	HTQCTTAYKOBOPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135332
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OCC)c(OCCCC)cc1)C(=O)N	PC-id_2071519	428.544	ZNQOQRYLMJQORI-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135333
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCCCC)cc1)C(=O)N	PC-id_19169821	428.544	VMIKNHPQCMQGAH-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135334
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCC(C)C)cc1)C(=O)N	PC-id_19202130	428.544	SKJSPXUMJRVWCQ-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135335
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H]([C@@H](CC)C)c1ccccc1)C)C(=O)N	PC-id_31557456	428.544	IXTVOCBUROFQPJ-QWQRMKEZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135336
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H]([C@H](CC)C)c1ccccc1)C)C(=O)N	PC-id_31557458	428.544	IXTVOCBUROFQPJ-SUNYJGFJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135337
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H]([C@@H](CC)C)c1ccccc1)C)C(=O)N	PC-id_31557459	428.544	IXTVOCBUROFQPJ-GLJUWKHASA-N	00000010100000110000000010000000000000000000000000000000	25-01-135338
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H]([C@H](CC)C)c1ccccc1)C)C(=O)N	PC-id_31557461	428.544	IXTVOCBUROFQPJ-DEYYWGMASA-N	00000010100000110000000010000000000000000000000000000000	25-01-135339
s1c2c(CCC2)c(c1NC(=O)CN(CC1OCCC1)Cc1ccccc1)C(=O)OC	PC-id_75912360	428.544	HHPGMMMPUONIBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135340
s1c2c(CCC2)c(c1NC(=O)CN(C[C@H]1OCCC1)Cc1ccccc1)C(=O)OC	PC-id_52733726	428.544	HHPGMMMPUONIBS-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135341
s1c2c(CCC2)c(c1NC(=O)CN(C[C@@H]1OCCC1)Cc1ccccc1)C(=O)OC	PC-id_52733728	428.544	HHPGMMMPUONIBS-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135342
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(C(CC)C)c1ccccc1)C)C(=O)N	PC-id_74616009	428.544	IXTVOCBUROFQPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135343
s1c2c(CCC2)c(c1NC(=O)C(=O)NCC(c1c(cccc1)C)(C)C)C(=O)OCC	PC-id_60342148	428.544	BTKVURZTJYLANK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135344
c1(sc2c(CCC2)c1C#N)N(C(=O)c1ccc(cc1)CC)C(=O)c1ccc(cc1)CC	PC-id_17358115,SPECS-id_AN-153/I263452,MCULE-5017062438,ZINC22_16161517,CoCoCo_6317406,EMOLS-id_4112938	428.546	YTDWINQFWKKFPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135345
C(=Cc1ccc(cc1)OC(C)C)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3577469816	428.546	XWPXEBALHCMYTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135346
CC(C)Oc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C#N)c2ccccc2)cc1	EMOLS-id_327867230	428.546	XWPXEBALHCMYTC-PXLXIMEGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135347
C[C@H]1CC(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ccc1F)(C)C	PC-id_118001285,SCHEMBL16627163	428.546	GGXSKPOIJYFLJZ-WUJWULDRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-135348
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)CCO)C(=O)Nc1ccccc1	MCULE-9953487438,TIMTEC187224,CoCoCo_6723997,ZINC22_22939048,EMOLS-id_2785382,CoCoCo_6723996,PC-id_3655327	428.548	HCVJMMXFFVMNSK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135349
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1ccccc1OC	EMOLS-id_2783540,ZINC22_22939033,TIMTEC137679,MCULE-8690710914,PC-id_3736625,CoCoCo_6728254,CoCoCo_6728255	428.548	DZHZKOQIYIHUBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135350
c1(c2CCCc2sc1NC(=O)CNCCN1CCOCC1)C(=O)Nc1ccccc1	MCULE-3315365513,PC-id_2296526,ZINC22_22034368,EMOLS-id_233080160	428.548	UMJCEKCTQRLTKI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135351
c1(NC(=O)COc2cn(c(cc2=O)C)CCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331629252,MCULE-6275294281	428.548	VGHSTDNBXAPLHZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135352
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCC)sc2CCCc2c1C#N	EMOLS-id_331922456,MCULE-9603939445	428.548	YMPYHJGKICPHTQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135353
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CC)sc2CCCc2c1C#N	EMOLS-id_331925783,MCULE-7841436219	428.548	NCWKUBVYPFJHRT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135354
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CC(C)C)sc2CCCc2c1C#N	MCULE-5457365786,EMOLS-id_331922452	428.548	FGRVLVFCBLRARU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135355
c1(NC(=O)NN=Cc2ccc(cc2)N(CC)CC)sc2c(CCC2)c1C(=O)OCC	MCULE-6456093887,PC-id_1576371	428.548	FDXIIEFUBOQTCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135356
CCC(CC)c1nc2s/c(=Cc3ccc(OCC(=O)N(CC)CC)cc3)/c(=O)n2n1	EMOLS-id_324851437	428.548	MNHPUHPBHZVROX-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-135357
CCOC(=O)c1c(NC(=O)CN2CCN(CC2)Cc2ccncc2)sc2c1CCC2	PC-id_112801321	428.548	ZEKMSZCYVNYOPZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-135358
CCOC(=O)c1c(NC(=O)N/N=Cc2ccc(cc2)N(CC)CC)sc2c1CCC2	CoCoCo_5839492	428.548	FDXIIEFUBOQTCF-UCQKPKSFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135359
CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(cc2)N(CC)CC)sc2c1CCC2	STOCK2S-61355,EMOLS-id_1856665,PC-id_6864489,CoCoCo_5839491	428.548	FDXIIEFUBOQTCF-OEAKJJBVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135360
n12c(=O)c(=Cc3ccc(cc3)OCC(=O)N(CC)CC)sc1nc(C(CC)CC)n2	MCULE-2824103647	428.548	MNHPUHPBHZVROX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135361
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(cc(Cl)cc1C(=O)O)Cl	EMOLS-id_328217462,MCULE-1922278026	429.296	CNFZJXVOAPQVAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135460
NC(=O)c1c(NC(=O)CN2CCN(CCOc3ccccc3)CC2)sc2c1CCC2	PC-id_16347433,EMOLS-id_11791541,ZINC22_22792067,CoCoCo_3684754,CoCoCo_3684753,MCULE-3228887452	428.548	WJNZKERSTDPLBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135362
s1c2c(CCC2)c(c1NC(=O)[C@H](N(CC(=O)Nc1c(c(ccc1)C)C)C)C)C(=O)N	PC-id_26305287	428.548	SGADYGBHYZEBQO-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135363
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(CC(=O)Nc1c(c(ccc1)C)C)C)C)C(=O)N	PC-id_26305289	428.548	SGADYGBHYZEBQO-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135364
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1cc(OC)ccc1)C)C(=O)N	PC-id_55430931	428.548	GMLUOMAOKSOXMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135365
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1c(OC)cccc1)C)C(=O)N	PC-id_46631144	428.548	XAMXXSCJXJYZSJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135366
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ncccc1)C(=O)OCC	PC-id_55462525	428.548	ZHKUINCGIHCCIT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-135367
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccc(N2CCOCC2)cc1)C)C(=O)N	PC-id_16268511	428.548	OQTGZYHLGCXMAU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135368
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(N2CCOCC2)cccc1)C)C(=O)N	PC-id_26381525	428.548	XTIWCHQSQJWMHL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135369
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1c(cc(cc1C)C)C)C)C(=O)N	PC-id_31480614	428.548	ULBRGLRGOBOOOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135370
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)Nc1c(cccc1C)C)C)C)C(=O)N	PC-id_55430704	428.548	VAJQPRLMBWKDNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135371
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)Nc1c(c(ccc1)C)C)C)C)C(=O)N	PC-id_74494948	428.548	SGADYGBHYZEBQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135372
S1Cc2c(NC(=O)C3CCCCC3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053517	428.548	HNEMYAORPRYQTO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135373
S1Cc2c(NC(=O)CC3CCCC3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053519	428.548	BFUSHDNDAAXQHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135374
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)C(CC)c1ccccc1	PC-id_44053188	428.548	KEZAKHFIOQUEGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135375
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)CCCc1ccccc1	PC-id_44053190	428.548	FQJNCKBHGYXOEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135376
COCCNc1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)s1	ZINC22_3436661,MCULE-2347392181,EMOLS-id_3314081,PC-id_2556481,CoCoCo_2903374	428.549	QZYINMNJJILPBE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135377
CCC(=C)C(=CC(=CC)NC(=O)c1cn2CCSc2n1)C1(CC(=O)N(C(=N1)N)C)C	PC-id_88915304	428.551	DIUOMIWARWOKLZ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-135378
C/C=C(/NC(=O)c1cn2c(n1)SCC2)C=C(C1(C)CC(=O)N(C(=N1)N)C)/C(=C)CC	SCHEMBL12446198	428.551	DIUOMIWARWOKLZ-IXQOFYBQSA-N	00000010100011000001000010000000000000000000000000000000	25-01-135379
CCNC(=O)C1(NNc2c1scc2)NC(=O)c1ccc(cc1)N1CCN(CC1)CC	PC-id_68826956,SCHEMBL3886126	428.551	UILVNQKAKGMABN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135380
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCC)Cc1oc(nn1)c1sccc1)C#N	PC-id_40863864	428.551	UCKVANJWSQNERI-UHFFFAOYSA-O	00000010100100000001100010000000000000000000000000000000	25-01-135381
S1C(CCCC)(C(=O)c2c1sc(c2OCCCC)C(=O)OCC)C(=O)OCC	PC-id_23657183	428.563	XBHCSCGSXXYDOD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135382
COc1ccccc1C1(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)CCCC1	EMOLS-id_328217712,MCULE-6001877907	428.566	ZFLKAZCJORNGIV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135383
S1(=O)(=O)CC(N(CCC)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)CC1	PC-id_55437218	428.566	CQCLSXSSKVNVTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135384
c1(c2CCCc2sc1NCc1sccc1C)C(=O)Nc1c(OC)ccc(OC)c1	BAS-03715651,ZINC22_729128,PC-id_1050791,CoCoCo_306031,EMOLS-id_1439543,SPECS-id_AE-848/42024834,MCULE-9835922926	428.568	SAFVSJYPAKHKDU-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-135385
COC(=O)c1c(NC(=O)CN2CCC[N@H+](CC2)Cc2ccccc2)sc2c1CCC2	GD-id_ZINC23354714	428.568	ZQJRIARJIAVPNX-UHFFFAOYSA-O	00000010100000110101000010000000000000000000000000000000	25-01-135386
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)Nc1ccc(OC)cc1	PC-id_78477540	428.568	PIYLOOYQYCNIPQ-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-135387
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)Nc1c(OC)cccc1	PC-id_53449785	428.568	LVCBMWWFAVHDRR-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-135388
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)Nc1ccc(OC)cc1	PC-id_7381344	428.568	PIYLOOYQYCNIPQ-OAHLLOKOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-135389
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)Nc1ccc(OC)cc1	PC-id_7381345	428.568	PIYLOOYQYCNIPQ-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-135390
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)Nc1c(OC)cccc1	PC-id_1734464	428.568	LVCBMWWFAVHDRR-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-135391
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)Nc1c(OC)cccc1	PC-id_1734466	428.568	LVCBMWWFAVHDRR-OAHLLOKOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-135392
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(cccc1)C)C(=O)OCC	PC-id_8726436	428.568	KTZWZYXKXKQPCN-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-135393
CN(C)c1cccc(c1)N1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-2852293141,EMOLS-id_328340368	428.569	LNSLUJSVPDQBMR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135394
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)NC(c1ccccc1)c1ccccc1	PC-id_92109994	428.569	DVGXXRKVWOXIPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135395
S(=O)(=O)(N(C1CCN(CC1)C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C	PC-id_56127471	428.569	SIWPOZGGJPWUGQ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-135396
CC(COCCCNC(=NCc1nnc2n1CCC2)Nc1ccc(cc1)OC(C)C)C	PC-id_111860252	428.571	DJTACCATRGHQDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135397
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ncc1C1=CCCC=C1	PC-id_143029675	428.571	LZNLAHOCALPTJU-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-135398
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(SC)cccc1)C)C#N	PC-id_38215679	428.571	KVVOJNUTZUGCLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135399
CCCCCCCCCCCCCCCCCc1sc2c(n1)C[Se]C2	PC-id_142739381	428.577	LKAAMXUQWRLOJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135400
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343072,MCULE-1999217730	428.587	CVKVJHAMMLUOPL-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-135402
CN(CC(=O)Nc1sc2c(n1)CCC2)CC1CCN(CC1)CC(c1ccccc1)O	PC-id_86895140	428.591	YYCOPYFPHBRXLE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135403
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)N1CCCCCC1)C#N	PC-id_55482539	428.591	YUURKYUKNILMNG-UHFFFAOYSA-N	00000010100010000100000010000000000000000000000000000000	25-01-135404
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)C(CCC)CCC	PC-id_44053756	428.591	UZUJMVZSHNTYRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135405
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCCCC)nn1)C(=O)N	PC-id_30360071	428.616	CIZLVMKKZKCYFC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135406
c1(NC(=O)c2cc(I)ccc2Cl)sc2c(CCC2)c1C#N	SPECS-id_AN-153/I284594,CoCoCo_5984111,ZINC22_9553978,EMOLS-id_1719793,PC-id_4032424,MCULE-6756469675	428.675	RRRZMXUYPMOJJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135407
N#Cc1c(NC(=O)c2ccc(c(c2)Cl)I)sc2c1CCC2	PC-id_103221336	428.675	FICJEINULLECPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135408
c1(NC(=O)c2cc(Br)ccc2Cl)sc2c(CCC2)c1C(=O)OCC	TIMTEC429664,PC-id_996037,CoCoCo_907980,ZINC22_649606,MCULE-9138436762,SPECS-id_AK-968/41024859,EMOLS-id_2202578	428.728	RNECRVPTBGHJOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135409
CCC(CC)c1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324857058	428.731	IPQSOXFWZHYFPN-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-135410
n12c(=O)c(=Cc3cc(Cl)cc(Br)c3O)sc1nc(C(CC)CC)n2	MCULE-8375329163	428.731	IPQSOXFWZHYFPN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135411
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	PC-id_3101974,MCULE-2225744582,TIMTEC605917,BAS-00354983,EMOLS-id_1022296	428.763	ZVUPPJMEJLMPFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135412
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2C)sc2c(CCC2)c1C#N	SPECS-id_AT-225/NB93091,PC-id_3101973,BAS-00354982,EMOLS-id_1016221,MCULE-6017305764,TIMTEC95630	428.763	CEHUOXHGYGZDQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135413
Cc1ccccc1C(=O)N[C@@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl	CoCoCo_49069,ZINC22_2688135,PC-id_40431297	428.763	CEHUOXHGYGZDQO-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135414
Cc1ccccc1C(=O)N[C@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl	PC-id_40431296,CoCoCo_49068,ZINC22_2688133	428.763	CEHUOXHGYGZDQO-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135415
Cc1ccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCC3)C(Cl)(Cl)Cl)cc1	PC-id_40430950,ZINC22_2672802,CoCoCo_49070	428.763	ZVUPPJMEJLMPFX-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135416
Cc1ccc(C(=O)N[C@@H](Nc2sc3c(c2C#N)CCC3)C(Cl)(Cl)Cl)cc1	ZINC22_2672803,PC-id_40430951,CoCoCo_49071	428.763	ZVUPPJMEJLMPFX-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135417
O=C(NCc1nnc2n1CCC2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	MCULE-3476948170,EMOLS-id_24032170,CoCoCo_4474347,ZINC22_32873612,PC-id_40108032,CoCoCo_4474346	428.839	BUBSLTPBBVKKJW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-135418
Cc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324867080	428.849	XSHYKXZJEKMTED-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135419
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCOc1ccccc1	MCULE-7543378148	428.849	WQINBCGBGNTPAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135420
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1ccc(cc1)C	MCULE-4917583406	428.849	XSHYKXZJEKMTED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135421
[O-][N+](=O)c1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)ccc1Cl	EMOLS-id_324848895	428.849	WQINBCGBGNTPAL-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135422
c1(NC(=O)COC(=O)c2ccc(cc2Cl)n2cnnn2)sc2c(CCC2)c1C#N	MCULE-1017951539,EMOLS-id_320722484	428.852	PQUVWDMABGLBJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135423
Clc1ccc(N(Cc2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_53466741	428.869	YKERTIIXJAIYNT-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135424
Clc1ccc(N(Cc2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_76035868	428.869	YKERTIIXJAIYNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135425
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)c2[nH]nc(c3ccccc3Cl)c2)n1	MCULE-4136603247	428.872	YJFYPBNPDUQLKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135426
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)c2[nH]nc(c3ccccc3Cl)c2)n1	EMOLS-id_316334385,MCULE-4203388919	428.872	YJFYPBNPDUQLKV-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135427
c1(C(=O)NCCOC)cnn2C[C@H](Cc12)NC(=O)c1[nH]nc(c2ccccc2Cl)c1	EMOLS-id_316322100,MCULE-1921354963	428.872	RJIBTKXPQYTCTP-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135428
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1[nH]nc(c1)c1ccccc1Cl	MCULE-4291526271	428.872	RJIBTKXPQYTCTP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135429
Clc1ccc(n2nc(C(=O)NNC(=O)c3sc4CCCc4c3)c(=O)cc2C)cc1	PC-id_26832588	428.892	FTFUHCVVAOXNJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135430
Clc1ccc(NC(=O)CC2Sc3n(nc(n3)COc3ccc(cc3)C)C2=O)cc1	PC-id_46872014	428.892	UPJISENXKJBHAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135431
Clc1c(cc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2ccccc2)cc1)C	PC-id_46872247	428.892	SJMNCAUDLZXUFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135432
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343585,MCULE-4137365310	428.932	MJYDAPIXQXOZJU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-135433
N#Cc1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CCC2	MCULE-2910432132,CoCoCo_2963047,EMOLS-id_11670738,PC-id_16271289,ZINC22_8824935	428.932	AECZCCCGIHUVQU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135434
Clc1c(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)cccc1	PC-id_24446329	428.935	SRHRTANLDWXLOV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135435
Clc1n(nc(c1C(=O)NNC(=O)c1sc2CCCc2c1)C)Cc1ccc(cc1)C	PC-id_26281001	428.935	NQFXCUAKOLWTAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135436
CCCCn1c(C)c2c(c1C)C(=O)N(CN1CCN(c3ccccc3Cl)CC1)C2=O	CHEMBL4576297	428.955	YNDJJNHPVFHAAJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135437
O=C(c1cc2c(s1)CCC2)N(C(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cn1	CoCoCo_3729369,EMOLS-id_2922081,MCULE-2252226118,ZINC22_3180374,PC-id_2315049	428.955	CWAKCVKKLKTIKX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135438
Cn1nc2c(c1NC(=O)C1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)CCC2	CoCoCo_5273028,PC-id_30859141,MCULE-4737348358,ZINC22_23135707,EMOLS-id_24910426	428.957	JOPOYLGYMRYOCM-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-135439
Cn1nc2c(c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(Cl)s3)C1)CCC2	PC-id_30859176,ZINC22_23135745,CoCoCo_5273043	428.957	SWPQUKVSJDHBMN-LLVKDONJSA-N	00000010100110000001000010000000000000000000000000000000	25-01-135440
Cn1nc2c(c1NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(Cl)s3)C1)CCC2	ZINC22_23135748,PC-id_30859177,CoCoCo_5273044	428.957	SWPQUKVSJDHBMN-NSHDSACASA-N	00000010100110000001000010000000000000000000000000000000	25-01-135441
Cn1nc2CCCc2c1NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(Cl)s1	EMOLS-id_24910450,MCULE-5092764847,PC-id_44062367	428.957	SWPQUKVSJDHBMN-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-135442
Clc1c(c(n2c(SCC(=O)Nc3sc4CCCc4c3C#N)ncc2)ccc1)C	PC-id_24456461	428.958	CYSIJNJCCVIUQQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135443
Clc1ccc(CN2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_24589192	428.978	FBTPWLXKGVMVBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135444
Clc1cc(CN2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)ccc1	PC-id_36040069	428.978	VFAUSCYPWAREHW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135445
C1C=CC2=C(C(=C(N21)C(=O)NC3=CC(=C(C=C3)F)F)Cl)S(=O)(=O)NC4COC4	PC-id_155278831	429.036	GLDIZTWJFCZLRS-UHFFFAOYSA-N	00001011100000110000000010000000000000000000000000000000	25-01-135446
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NC(=O)OCC#CC4CC4	PC-id_149977008	429.126	CWLKUNGEDUWORX-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-135447
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)F)C(=O)C(=S4CCCC4)[N+]#[C-]	PC-id_153433691	429.132	FETPUFIDXNFBST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135448
CC1CN2C(=C(C=N2)S(=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O1	PC-id_165369906	429.151	POODHNATCILCIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135449
Brc1cnc(c(c1)Br)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_104272655	429.173	WMSAIVBZNRNRHS-UHFFFAOYSA-N	00100010100000101001000010000000000000000000000000000000	25-01-135450
CC1=C(C(=CC=C1)Cl)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587082	429.193	COUDZVCXRWVOAN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-135451
Brc1c(C(NCC)c2sc3c(CCC3)c2)cc(Br)c(c1)C	PC-id_81472926	429.212	CXTOOVXUDAWWCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135452
Brc1c(C(NCCC)c2sc3c(CCC3)c2)cc(Br)cc1	PC-id_43495282	429.212	IEYVGQQLNJOGNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135453
C1CC2=CSC(=C2C1)CNCCC(CCO)(C[C@]34CC3COC4)C5=CC=C(C=C5)F	PC-id_155054281	429.214	BBLFCDBMALTIKZ-VZTJNBFISA-N	00100010100000110000010010000000000000000000000000000000	25-01-135454
OC(=O)c1sc2CN(Cc2c1I)C(=O)OCc1ccccc1	EMOLS-id_329988870	429.23	SAQQKCYMYSYAOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135455
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cnc1Cl	PC-id_45690422	429.274	AXHHSNJCRJREND-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135456
Clc1c(nc(Cl)cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_45647364	429.274	BHKUFYHNCSQDDT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135457
c1(NC(=O)c2ccc(Br)o2)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862252,ZINC22_23138930,MCULE-2419386115,CoCoCo_5277562,EMOLS-id_24913257	429.289	FSSIXZKTIJTDJA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-135458
Brc1cnc(s1)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_68550152,SCHEMBL3208159	429.292	PANPTIFYAWPVGK-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-135459
Clc1c(NC(=O)c2c(NC(=O)c3nn(c4CCCc34)C)cccc2)cccc1Cl	PC-id_84467392	429.299	OWNOPKULXBRKIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135461
Brc1sc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	GD-id_ZINC09606178,PC-id_45630261	429.309	KCFVBNCKCFOBAR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-135462
O=C(c1sc2c(c1)C(=O)C(C2)(C)C)Nc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C	PC-id_67427596,SCHEMBL2492184	429.313	GYPQHGFPPRVVJN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135463
Clc1c(c2oc(C=CC(=O)Nc3sc4CCCc4c3C#N)cc2)cccc1Cl	PC-id_4008224	429.319	FPRJBWMPKXEPOC-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-135464
Clc1c(c2oc(C=CC(=O)Nc3sc4CCCc4c3C#N)cc2)ccc(Cl)c1	PC-id_73982170	429.319	YGXPJGOIBUJOOY-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-135465
Clc1cc(c2oc(C=CC(=O)Nc3sc4CCCc4c3C#N)cc2)cc(Cl)c1	PC-id_73982171	429.319	JFLICRLUVBGZDL-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-135466
N#Cc1c(NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCC2	PC-id_22778989,ZINC22_17096333	429.319	YGXPJGOIBUJOOY-RMKNXTFCSA-N	00000010101000110000100010000000000000000000000000000000	25-01-135467
N#Cc1c(NC(=O)/C=C/c2ccc(c3cc(Cl)cc(Cl)c3)o2)sc2c1CCC2	ZINC22_17096342,PC-id_22778994	429.319	JFLICRLUVBGZDL-FNORWQNLSA-N	00000010101000110000100010000000000000000000000000000000	25-01-135468
c1(NC(=O)c2cc(Cl)ccc2Cl)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862310,MCULE-4400025640,EMOLS-id_24913301,ZINC22_23138992,CoCoCo_5277585	429.321	AOXLOJPQIDFNSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135469
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)ccc(Cl)c1	PC-id_44053003	429.321	INDLHRSATCOOFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135470
Brc1cc(F)c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_20410035	429.327	FFKARAIAPLFXTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135471
Brc1ccc(c2sc(C=CC(=O)NCc3n4CCCc4nn3)cc2)cc1	MCULE-7657599807,EMOLS-id_26238432,PC-id_72054896	429.333	PZBDSCYHSHZGRS-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-135472
O=C(/C=C/c1ccc(c2ccc(Br)cc2)s1)NCc1nnc2n1CCC2	CoCoCo_4687746,ZINC22_12739228,PC-id_25472971	429.333	PZBDSCYHSHZGRS-CSKARUKUSA-N	00000010100100110001100010000000000000000000000000000000	25-01-135473
O=C(NCc1nnc2n1CCC2)/C=Cc1ccc(s1)c1ccc(cc1)Br	CoCoCo_4687747	429.333	PZBDSCYHSHZGRS-NTMALXAHSA-N	00000010100100110001100010000000000000000000000000000000	25-01-135474
Clc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc(Cl)c1	PC-id_17133735	429.341	VFPQFORWHOYZDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135475
c1(NC(=S)NCCn2cc(cn2)Br)sc2c(CCC2)c1C(=O)OC	MCULE-4260124686,ChEMBL-DNDi_CHEMBL7795991,EMOLS-id_2003277,ZINC22_2853308,PC-id_2206962,GD-id_ZINC02853308,CoCoCo_993117,TIMTEC510977	429.355	VTRNUIMMCWYCEA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135476
B1(OC(C(O1)(C)C)(C)C)c1cc(c(cc1)CN1Cc2c(C1=O)sc(c2)C(C)(C)C)F	PC-id_90112774,SCHEMBL15661897	429.356	KGUTWJSVINQYHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135477
s1c2c(CCC2)c(c1NC(=O)COc1c(cc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)N	PC-id_60586226	429.37	LZBWJFVAINBXCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135478
N#Cc1nc2n(c1CCC(F)F)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261689	429.384	YURPBHJBXNJOLR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135479
Cc1c(C(=O)C(=O)NC2(CC2)C#C)c2CCCn2c1C(=O)Nc1cc(F)c(F)c(F)c1	BindingDB-id_799398,PC-id_134285304,SCHEMBL19901031	429.392	LQTRGASOWDJCNG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-135480
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OC)C#N	PC-id_16958716	429.403	UDFFJAASIYTCQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135481
COc1c(F)c(F)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)c(F)c1F	PC-id_22779021,ZINC22_17096410	429.412	YGRWIQXCKOINPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135482
O[C@H]1OC2(C([C@@H]1O)[C@H]([C@H]2O)O)COC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL17400724,PC-id_118630575	429.42	OXRVCQDZCSZDQX-YIOHDUCCSA-N	00001010100000110000001010000000000000000000000000000000	25-01-135483
COCCN(c1ccc(cc1)N=C1C(=Nn2c1nc(c2C(=O)O)C(=O)O)C)CCOC	SCHEMBL14342478	429.427	HEINLUQSDUFSKU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-135484
COCCN(CCOC)c1ccc(cc1)N=c1c(=C)[nH]n2c1nc(c2C(=O)O)C(=O)O	PC-id_91360434	429.427	VDCSMLQHKKWLOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135485
O(CCN(CCOC)c1ccc(/N=C/c3n(N=C2C)c(c(n3)C(=O)O)C(=O)O)cc1)C	PC-id_58776967	429.427	HEINLUQSDUFSKU-RCCKNPSSSA-N	00000011100000110001000010000000000000000000000000000000	25-01-135486
FC(F)(F)c1ccc(Oc2ccc(CNC(=O)c3n(nc4C(CCc34)C)C)cc2)cc1	PC-id_15008428	429.435	BUBKTTVIBMYEII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135487
O=C(c1n(C)nc2c1CC[C@H]2C)NCc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F	PC-id_101992993	429.435	BUBKTTVIBMYEII-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135488
O=C(c1n(C)nc2c1CC[C@@H]2C)NCc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F	PC-id_101992994	429.435	BUBKTTVIBMYEII-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135489
c12c(CCC1C(=O)Nc1ccc(c(F)c1)F)sc(NC(=O)c1ccc(cc1)OC)n2	MCULE-1504672601,EMOLS-id_12347865,PC-id_16947901	429.44	HRSDOWYTAYYMAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135490
COc1ccc(CCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1OC	EMOLS-id_324893707	429.44	OZNXJXQWTXOIEN-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135491
COc1ccc(CCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324893195	429.44	WLAXHTUNODUEHU-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135492
COc1ccc(CCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1OC	EMOLS-id_324897280	429.44	FEKVLBDKESDPIK-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135493
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2ccc(F)c(F)c2)cc1	PC-id_41007385,CoCoCo_5124886,ZINC22_9301549	429.44	HRSDOWYTAYYMAW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135494
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2ccc(F)c(F)c2)cc1	ZINC22_9301550,PC-id_41007386,CoCoCo_5124887	429.44	HRSDOWYTAYYMAW-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135495
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(F)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324894210	429.44	UXIAIZCZDWXWJS-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135496
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(F)c(F)c4)/c(=O)n3n2)cc1	EMOLS-id_324893698	429.44	BBQBTRMPKQEGAL-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135497
COc1ccc(OCCCc2nc3s/c(=Cc4cc(F)ccc4F)/c(=O)n3n2)cc1	EMOLS-id_324893703	429.44	MUDGLNLAPISCER-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135498
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-1000725548	429.44	OZNXJXQWTXOIEN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135499
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)CCCOc1ccc(OC)cc1	MCULE-3759311714	429.44	UXIAIZCZDWXWJS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135500
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-8247105480	429.44	WLAXHTUNODUEHU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135501
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)CCCOc1ccc(OC)cc1	MCULE-7524470302	429.44	BBQBTRMPKQEGAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135502
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9371425238	429.44	FEKVLBDKESDPIK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135503
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CCCOc1ccc(OC)cc1	MCULE-1345943494	429.44	MUDGLNLAPISCER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135504
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)C(=O)O)C)F	PC-id_134599101,SCHEMBL20253008	429.441	VQFRPZFNHKDULT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135505
c1(NC(=O)COc2cc(ccc2N(=O)=O)C(=O)OC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_327710786,MCULE-1782309092	429.446	LRFSUXXNRQXOGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135506
c1(NC(=O)COc2ccc(cc2N(=O)=O)C(=O)OC(C)C)sc2c(CCC2)c1C#N	MCULE-2305460362,EMOLS-id_327718472	429.446	MENWTDNQYQFXIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135507
CC1(Cn2cc(nc2S1(=O)=O)[N+](=O)[O-])COCc1ccc(cc1)Oc1ccccc1	PC-id_137646291	429.446	XTCFVHGQBASZSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135508
CC1(COc2ccc(cc2)OCc2ccccc2)Cn2c(S1(=O)=O)nc(c2)[N+](=O)[O-]	PC-id_146000214	429.446	ZZWCVWMZTNSJAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135509
s1c2c(CCC2)c(c1NC(=O)Cn1cc(cc(c1=O)C#N)C(=O)OC)C(=O)OCC	PC-id_33231036	429.446	MWDMXVILTNCUPP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135510
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_19658180	429.446	JAWBNHYNGZDOHA-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135511
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_73632692	429.446	JAWBNHYNGZDOHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135512
c1(NC(=O)COc2cccnc2NC(=O)N(C)CC(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321858233,MCULE-8366014647	429.45	WIWJMIKIIBHWII-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135513
c1(NC(=O)COc2cccnc2NC(=O)NCCC(=O)O)sc2c(CCC2)c1C#N	MCULE-3747174719,EMOLS-id_321873018	429.45	LCYIQOVCCOFLSV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135514
c1(NC(=O)COc2cccnc2NC(=O)NC(C)C(=O)O)sc2c(CCC2)c1C#N	MCULE-9788328974,EMOLS-id_321874807	429.45	AWXIYNOLTMDMED-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135515
CCc1cc(C(=O)OC)c(NC(=O)[C@@H](CC)n2nc(C(F)(F)F)c3c2CCC3)s1	PC-id_29092486,ZINC22_20607574	429.456	JHIVVZXKKMTOAP-CYBMUJFWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-135516
CCc1cc(C(=O)OC)c(NC(=O)[C@H](CC)n2nc(C(F)(F)F)c3c2CCC3)s1	ZINC22_20607573,PC-id_29092485	429.456	JHIVVZXKKMTOAP-ZDUSSCGKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-135517
CCC(C(=O)Nc1sc(CC)cc1C(=O)OC)n1nc(c2CCCc12)C(F)(F)F	MCULE-2848814614,SCHEMBL1005924,EMOLS-id_8867377,TIMTEC237867,PC-id_19590942	429.456	JHIVVZXKKMTOAP-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-135518
C/C=C(C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=CC)/C)CC2=O)/COC(=O)/C(=CC)/C	UNPD135518	429.463	VXKPTNQYUZEGSH-HNKSUJSOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135519
C/C=C(C(=O)OCc1ccn2c1[C@H](OC(=O)C=C(C)C)CC2=O)/COC(=O)C=C(C)C	UNPD24807	429.463	LNJLPJMURUHNJU-YWXGMFSMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135520
O=C(OCC(=CC)C(=O)OCc1ccn2C(=O)CC(OC(=O)C(=CC)C)c12)C(=CC)C	CNP0413978	429.463	VXKPTNQYUZEGSH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135521
O=C(OCC(=CC)C(=O)OCc1ccn2C(=O)CC(OC(=O)C=C(C)C)c12)C=C(C)C	CNP0416896	429.463	LNJLPJMURUHNJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135522
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)S(=O)(=O)c1ccc(c(C)c1)F	MCULE-9080224946,EMOLS-id_207863131	429.468	PWQVNBQFJAJUDF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-135523
Cc1cc(ccc1F)S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1cccnc1	MCULE-6410832389,EMOLS-id_316322097	429.468	WKSKLFBLEMYVCT-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-135524
S(=O)(=O)(Nc1ccc(CC(=O)NCc2n3CCCc3nn2)cc1)c1ccc(F)cc1	PC-id_38170177	429.468	KSIINTFLAOHBOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135525
S(=O)(=O)(Nc1ccc(C(=O)NCc2n3CCCc3nn2)cc1)c1cc(c(F)cc1)C	PC-id_37334412	429.468	KQDWUUOARRZYLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135526
S(=O)(=O)(Nc1ccc(F)cc1)c1cc(C(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_37334413	429.468	XWSBDMPFMUVLPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135527
S(=O)(=O)(Nc1cc(C(=O)NCc2n3CCCc3nn2)ccc1)c1cc(F)c(cc1)C	PC-id_30094799	429.468	XXEKBTMPBXEXEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135528
S(=O)(=O)(Nc1c(F)cccc1)c1cc(C(=O)NCc2n3CCCc3nn2)c(cc1)C	PC-id_34240321	429.468	JPCTYTTUJHEWTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135529
S(=O)(=O)(Nc1c(F)cccc1)c1cc(C(=O)N(Cc2n3CCCc3nn2)C)ccc1	PC-id_46458192	429.468	SPBVWRBYZOFPTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135530
CCOC(=O)n1nc2c(c1NC(=O)c1ccccn1)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_66941334,SCHEMBL1205070	429.47	XRULNOKWVUATGY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-135531
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1ccccn1	PC-id_66739040,SCHEMBL597931	429.47	DTJSMNXMBIWOCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-135532
O1C(CN2CCC(N(C)C(=O)OCc3ccccc3)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69482026,SCHEMBL5545342	429.47	OWNJOOGFDFXAAM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135533
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)c1ncccn1)C(=O)N	PC-id_56109795	429.473	XVBDXYJWPZXFEJ-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-135534
Fc1ccc(cc1)C(=O)c1cc(c2n1CCC2(C(=O)O)C(C)(C)C)C(=O)OC(C)(C)C	PC-id_70477750,SCHEMBL10941817	429.481	SUEXNHXWOTXBID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135535
Fc1ccc(C(=O)c2n3c(C(CC3)C(=O)OC(C)(C)C)c(c2)C(=O)OC(C)(C)C)cc1	SCHEMBL10938619,PC-id_20430878	429.481	ZLFDRGOWPNIYGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135536
CC[C@H](Cn1nc(c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1cc2c(s1)CCC2	MCULE-5133386235,EMOLS-id_299710,ZINC22_19520845,LEG-12252302,PC-id_46952322,CoCoCo_434896	429.483	RYFXVAWUSCIBSJ-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135537
CC[C@@H](Cn1nc(ccc1=O)c1ccc(c(c1)F)F)NC(=O)c1sc2c(c1)CCC2	CoCoCo_434897	429.483	RYFXVAWUSCIBSJ-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135538
s1c2CCCc2cc1C(=O)NC(Cn1nc(ccc1=O)c1cc(F)c(F)cc1)CC	PC-id_75260404	429.483	RYFXVAWUSCIBSJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135539
CCOC(=O)n1cc(c2c1C(C)(C)N(C2)C(=O)C(C)(C)C)NC(=O)c1ccc(cc1)F	PC-id_68929455,SCHEMBL4142684	429.485	LCAOLIJLRHXCAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135540
c1(ccc(cc1OC)C=CC(=O)Nc1sc2CCCc2c1C(=O)OCC)OC(=O)C	MCULE-1351911797	429.486	XWXARATZIBBWIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135541
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccccc1OCC)C(=O)OC	MCULE-9895318937,PC-id_73569423	429.486	UYJFSFOPOVIRAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135542
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)OCC)C(=O)OC	PC-id_2790291,MCULE-4983674910	429.486	HUJKODRLNVCGRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135543
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccccc1CC=C)C(=O)OC	PC-id_19237229,MCULE-5595262679	429.486	BDLJXPDQDUVMRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135544
C[C@H](NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)c1nnc2n1CCC2	CoCoCo_4622713,PC-id_32291986,ZINC22_24982125	429.486	SEBZHOHMQOPZNW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135545
C[C@@H](NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)c1nnc2n1CCC2	PC-id_32291979,CoCoCo_4622714,ZINC22_24982119	429.486	SEBZHOHMQOPZNW-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135546
CCOc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC	PC-id_5711142,CHEMBL1394218,STOCK2S-81242,EMOLS-id_25925338	429.486	HUJKODRLNVCGRG-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135547
CCOc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC	CoCoCo_813534	429.486	HUJKODRLNVCGRG-WASHYIJTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135548
CCOc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC	CoCoCo_813536	429.486	HUJKODRLNVCGRG-XCHKQJEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135549
CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1	CoCoCo_813533,PC-id_1186015,ZINC22_947444	429.486	HUJKODRLNVCGRG-BLMSOEDDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135550
CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1	CoCoCo_813535,ZINC22_947442,PC-id_1186013	429.486	HUJKODRLNVCGRG-CUXKMMBLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135551
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC(=O)C)c(OC)c2)sc2CCCc12	EMOLS-id_327863943	429.486	XWXARATZIBBWIP-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135552
COc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC1CCCC1	SCHEMBL15015453,PC-id_89617336	429.486	YAGPKYFXFNAZES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135553
COc1c(ccc(c1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OC1CCCC1	SCHEMBL15015492,PC-id_89617367	429.486	GRLVGPACZHSCMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135554
FC(Sc1ccc(cc1)Nc1ccccc1C(=O)NC(c1nnc2n1CCC2)C)F	MCULE-1441492256,EMOLS-id_17214960,PC-id_42939227	429.486	SEBZHOHMQOPZNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135555
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC)cc1)C(=O)OC	PC-id_18271219	429.486	XHDWFLQNFQBZFC-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135556
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(OCC)cc1)C(=O)OC	PC-id_73429521	429.486	XHDWFLQNFQBZFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135557
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)ccc1)C(=O)OCC	PC-id_24352838	429.486	FMHFXMPGZPTKJA-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135558
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)ccc1)C(=O)OCC	PC-id_74263902	429.486	FMHFXMPGZPTKJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135559
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)cccc1)C(=O)OCC	PC-id_35722213	429.486	PDLHTFWCGJTOTG-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135560
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)cccc1)C(=O)OCC	PC-id_74643493	429.486	PDLHTFWCGJTOTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135561
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OCC)cccc1)C(=O)OC	PC-id_18291198	429.486	NOIDRIDLJJNAJS-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135562
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OCC)cccc1)C(=O)OC	PC-id_73436585	429.486	NOIDRIDLJJNAJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135563
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1c(OCC)cccc1)C(=O)OC	PC-id_19207582	429.486	UYJFSFOPOVIRAD-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135564
c12c(CCC1C(=O)OCC)sc(NC(=O)C1COCC(=O)N1Cc1ccccc1)n2	MCULE-6979654265,PC-id_71792172,EMOLS-id_37102772	429.489	NZEFXEDYCJYORW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135565
c1(cc(ccc1N1CCCC1)C(=O)Nc1sc2CCCc2c1C(=O)OCC)N(=O)=O	EMOLS-id_327983729,MCULE-3485945326	429.489	VMTQLXSXCOCZBT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135566
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333612,MCULE-3281665496	429.489	FJJVUTUDKBLNIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135567
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5864745095,EMOLS-id_334339745	429.489	PLJLHSROCAJDDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135568
c1(NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3155241032,EMOLS-id_334335405	429.489	ZDHSZKJWMLJNKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135569
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1820834169	429.489	PGWIGVDULOPBPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135570
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3788583520	429.489	QIVVAQUZQZLJDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135571
Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1C	PC-id_2524778,EMOLS-id_3302779,ZINC22_3406016,CoCoCo_3067605,MCULE-9360031269	429.489	VJMXYBCBGMOBHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135572
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cccc(c1)C(=O)N1CCCCC1	PC-id_89237208,SCHEMBL14055786	429.489	ZRLGPMMFYWSJBM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135573
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N1CCCCC1	SCHEMBL14056080,PC-id_89237466	429.489	IXUZGMYUJITDDW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135574
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)c1ccccc1	SCHEMBL14054671,PC-id_89236321	429.489	QCTKFFHTCZSHFH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135575
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)nc12	PC-id_96352117,ZINC22_77197625	429.489	NZEFXEDYCJYORW-CABCVRRESA-N	00000010100010110001000010000000000000000000000000000000	25-01-135576
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)nc12	PC-id_96352118,ZINC22_77197626	429.489	NZEFXEDYCJYORW-GJZGRUSLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135577
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)nc12	PC-id_96352119,ZINC22_77197627	429.489	NZEFXEDYCJYORW-HUUCEWRRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135578
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)nc12	ZINC22_77197628,PC-id_96352120	429.489	NZEFXEDYCJYORW-LSDHHAIUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135579
CC(=O)N[C@H](CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	CoCoCo_2818492,ZINC22_9613294,PC-id_41144578	429.489	MEQBFSBQCHNQKK-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135580
CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	PC-id_2118030,CoCoCo_2818493,ZINC22_2654532	429.489	MEQBFSBQCHNQKK-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135581
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	EMOLS-id_334385439	429.489	QIVVAQUZQZLJDS-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135582
COCCCNC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2CCCc12	EMOLS-id_334386710	429.489	PGWIGVDULOPBPI-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135583
COC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccco1)Cc1nn(C)c2CCCc12	MCULE-1959329391,EMOLS-id_50145292,PC-id_86266560	429.489	KCRJNKWZCAMFCF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-135584
NC(=O)CCCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)OCCS(=O)(=O)C	SCHEMBL18588213	429.489	JEUDDBWQTLNSQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135585
O=C(CC(c1ccccc1)NC(=O)C)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3226387,MCULE-2700054290,PC-id_5253433	429.489	MEQBFSBQCHNQKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135586
s1c2CCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)c1cc(OC)c(OC)cc1	PC-id_46578459	429.489	TXBNTVNRNVEUPX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135587
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(N2CCCCC2)cc1)C(=O)OC	PC-id_23967285	429.489	BUNSHAZOITXHMP-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-135588
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1cc(ccc1)C)C)C(=O)N	PC-id_18208359	429.489	GCMRXNULSOUBFF-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135589
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(cc(c1)C)C)C(=O)N	PC-id_45693475	429.489	WMYLUWWESKAZNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135590
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1cc(ccc1)C)C)C(=O)N	PC-id_73424338	429.489	GCMRXNULSOUBFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135591
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC)cc1)C)C(=O)OCC	PC-id_19658359	429.489	RDJMVWICEMKTRI-FSJBWODESA-N	00000010100000110000000010000000000000000000000000000000	25-01-135592
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC)cc1)C)C(=O)OCC	PC-id_73632869	429.489	RDJMVWICEMKTRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135593
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OCC)cccc1)C(=O)OCC	PC-id_19660416	429.489	BMYDGCGNJXLANJ-WSDLNYQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135594
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OCC)cccc1)C(=O)OCC	PC-id_73634873	429.489	BMYDGCGNJXLANJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135595
c1(NC(=O)COc2cccnc2NC(=O)NCCCOC)sc2c(CCC2)c1C#N	EMOLS-id_321873783,MCULE-1083062752	429.493	APFKYBGQCIQNSS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135596
c1(NC(=O)COc2nonc2CC(=O)N2CCC(CC2)C)sc2CCCc2c1C#N	MCULE-3682299023,EMOLS-id_333691430	429.493	PNNIIDPLKJCHMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135597
c1(NC(=O)COc2nonc2CC(=O)N2CCCC(C)C2)sc2CCCc2c1C#N	EMOLS-id_333690663,MCULE-2941486122	429.493	AJRXXPYZXRCKCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135598
c1(NC(=O)COc2nonc2CC(=O)N2CCCCCC2)sc2CCCc2c1C#N	EMOLS-id_333691431,MCULE-2760694227	429.493	RWLHRZZYSGIXPX-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-135599
c1(NC(=O)COc2nonc2C(=O)N2CC(C)CC(C)C2)sc2CCCc2c1C#N	EMOLS-id_333662154,MCULE-7536025742	429.493	IBSXGMXHQGCTSI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135600
CCCN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1nnc(c2ccco2)o1	MCULE-4307430855,PC-id_16338437,ZINC22_9683434,CoCoCo_3595165,CoCoCo_3595166,EMOLS-id_11779682	429.493	CPBWAROELFGHFS-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-135601
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)N	PC-id_46801186	429.493	GNOVBMYEYALWPP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135602
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c([N+](=O)[O-])cccc1)C(=O)N	PC-id_27207596	429.493	PFYOJPGRDFWFEY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135603
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)c1ncccn1)C(=O)N	PC-id_55701313	429.493	CMIRGIKGTKXFCW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-135604
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccc(F)cc1)CC(=O)OCC)C#N	PC-id_56526102	429.508	CMRIHDNHZJNLNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135605
CC#CC(c1ccccc1OCc1cccc(c1)CN1Cc2c(C1)cnn2C)CC(=O)O	PC-id_118195997,SCHEMBL16861231	429.511	KQKXIPTWVRPJMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135606
CC#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cnn2C)CC(=O)O	PC-id_118196051,SCHEMBL16861285	429.511	DJRYCHUTUZVTEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135607
CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cnn2C)CC(=O)O	SCHEMBL18042327,PC-id_122511152	429.511	DJRYCHUTUZVTEW-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135608
COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31799149,PC-id_46925746,MCULE-9927413006	429.511	NNVLBYTWEIVLJJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135609
COc1cccc(c1)N1CCN(CC1)C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_323943158,MCULE-1101823317	429.511	BZBJDYZITUDNDR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135610
COc1cccc(N2CCN(C(=O)[C@@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)c1	ZINC22_1889070756	429.511	BZBJDYZITUDNDR-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135611
COc1cccc(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)c1	ZINC22_1889070757	429.511	BZBJDYZITUDNDR-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135612
COc1ccc(N2CCN(C(=O)[C@@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)cc1	PC-id_52451455,ZINC22_57476766	429.511	NNVLBYTWEIVLJJ-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135613
COc1ccc(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc34)CC2)cc1	ZINC22_57476768,PC-id_52451456	429.511	NNVLBYTWEIVLJJ-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135614
CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	CoCoCo_4572461,EMOLS-id_44042245,MCULE-8849896804,PC-id_16606950,ZINC22_11594618	429.511	DSOGYKBUWKTGLR-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-135615
c1(NC(=O)CSc2nnc(c3ccccc3)o2)sc2c(CCC2)c1C(=O)OCC	ZINC22_2890927,CoCoCo_534414,MCULE-9369480180,PC-id_2243309,TIMTEC485779,EMOLS-id_2492664	429.513	URKVMMYEFMTOHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135616
c1(NC(=O)CSc2nnc(Cc3ccccc3)o2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_30081372,CoCoCo_6964942,PC-id_4165223,ZINC22_8925031,MCULE-6536930299,SPECS-id_AO-476/43417564	429.513	LPJBCMFDYRICMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135617
c1(NC(=O)CSc2noc(c3ccccc3)n2)sc2c(CCC2)c1C(=O)OCC	ZINC22_28527214,MCULE-2173450577,PC-id_16458548,CoCoCo_6600675	429.513	RDGVZEISXNTBKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135618
c1(NC(=O)CS(=O)CC(=O)Nc2cccc(C(=O)C)c2)sc2c(CCC2)c1C#N	EMOLS-id_320731735,MCULE-9022141016	429.513	CXKSATPTKHRUDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135619
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)c1ccc(cc1)NC(=O)C	EMOLS-id_186644157,MCULE-4811487528	429.513	BQTQRZJHGSVQBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135620
CCOC(=O)c1c(c2c(s1)[S+]=C(C2=NC=Nc1cccc(c1)C)C(=O)OCC)[NH-]	PC-id_137295085	429.513	ADCKVGKKZAJXQY-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-135621
COc1ccc(cc1)CC1C(N2C(S1)C(=Cc1cn3CCSc3n1)C2=O)C(=O)O	PC-id_88383993	429.513	SDNWPKRHHWAPQU-UHFFFAOYSA-N	00001010100000110001001010000000000000000000000000000000	25-01-135622
COc1ccc(cc1)CC1S[C@H]2N(C1C(=O)O)C(=O)C2=Cc1cn2c(n1)SCC2	SCHEMBL8906304,PC-id_67722384	429.513	SDNWPKRHHWAPQU-LEOMRAHMSA-N	00001010100000110001001010000000000000000000000000000000	25-01-135623
COc1ccc(cc1)COC(=O)C1CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)SCC2	PC-id_67722381,SCHEMBL8906296	429.513	ZBQAWHCOJFEZLW-VYRZSAJZSA-N	00001010100000110001001010000000000000000000000000000000	25-01-135624
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	CoCoCo_4626362,PC-id_33040321,ZINC22_25768640,MCULE-9194249813,EMOLS-id_29994463	429.513	CMTVIAYKUADMER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135625
COc1cccc(c1OC)c1scc(n1)C(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4695946,PC-id_25650769,MCULE-6529333921,EMOLS-id_44069039	429.513	SKXRTXYNCQQWJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135626
COC(C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccccc1)CN(C)C)C	PC-id_66941237,SCHEMBL1204689	429.513	VVLACORBTXCCHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135627
COC(C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)OC(c1ccccc1)CN(C)C)(C)C	PC-id_143492421	429.513	BVEDGMPCKIKJGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135628
CO[C@H](C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C)C	SCHEMBL1204685,PC-id_24765995	429.513	VVLACORBTXCCHN-WMLDXEAASA-N	00000010100000110001000010000000000000000000000000000000	25-01-135629
CO[C@@H](C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C)C	SCHEMBL1206420,PC-id_58015650	429.513	VVLACORBTXCCHN-RHSMWYFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135630
s1c2CCCc2cc1C(=O)NNC(=O)c1nc(sc1)c1cc(OC)c(OC)cc1	PC-id_26832643	429.513	LTYNUKHASFULHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135631
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(cc1)C)C(=O)OC	PC-id_3389015	429.513	WJFMLRAILICGCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135632
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(ccc1)C)C(=O)OC	PC-id_4156066	429.513	RNWTWZWXDCZXGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135633
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(cccc1)C)C(=O)OC	PC-id_4575608	429.513	OPEFFPAHLMIIKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135634
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2c(OC)cccc2)cc1	PC-id_30796781	429.513	RDWUWNBDTGUVIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135635
S1C2N(C(C1)C(=O)OCc1ccc(OC)cc1)C(=O)C2=Cc1nc2SCCn2c1	PC-id_77341843	429.513	ZBQAWHCOJFEZLW-UHFFFAOYSA-N	00001010100000110001001010000000000000000000000000000000	25-01-135636
c1(C(=O)NCc2cccnc2)cnn2CC(Cc12)NC(=O)C1(CCCC1)c1ccccc1	MCULE-5299506893	429.514	RATUHUPKGJDHSS-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-135637
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)C1(CCCC1)c1ccccc1	MCULE-9547438295,EMOLS-id_316320063	429.514	RATUHUPKGJDHSS-FQEVSTJZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-135638
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)C=Cc1cccs1	MCULE-1146675286	429.514	OMQDTPQPUFZEBH-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-135639
O=c1/c(=Cc2cccc(Oc3ccccc3)c2)/sc2nc(/C=C/c3cccs3)nn12	ZINC22_16779434	429.514	OMQDTPQPUFZEBH-POQLEOJZSA-N	00000000100100110001000010000000000000000000000000000000	25-01-135640
O=c1/c(=C/c2cccc(Oc3ccccc3)c2)/sc2nc(/C=C/c3cccs3)nn12	ZINC22_27022060,EMOLS-id_45970300	429.514	OMQDTPQPUFZEBH-MMFIDHTCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-135641
c1(NC(=O)CSc2ccncc2)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862610,MCULE-2567022464,EMOLS-id_24913445,CoCoCo_5277711,ZINC22_23139345	429.516	FXMDKTHLECCLAS-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-135642
c1(NC(=O)CSc2nnc(c3cccnc3)n2C)sc2c(CCC2)c1C(=O)OC	TIMTEC30529,PC-id_6467812,ZINC22_16551751,CoCoCo_1048623,EMOLS-id_2546824,MCULE-2968400339	429.516	ADXVSSKOSCDPRV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-135643
c1(NC(=O)CSc2nnnn2c2ccccc2)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AF-399/15336043,EMOLS-id_3062418,MCULE-8172026282,ZINC22_1895068,CoCoCo_1763695,TIMTEC40911,PC-id_1632425	429.516	AILQGCXXBRHTPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135644
CCc1ocnc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C	BindingDB_PC-id_59508161,SCHEMBL597595,PC-id_59508161	429.516	KZJUNEIRFOYZSF-OLZOCXBDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135645
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1csc(n1)Nc1cccc(n1)C	PC-id_90510112	429.516	RLTJEQUGYDGHNR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-135646
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1oc(nc1C)C	SCHEMBL597088,BindingDB_PC-id_59508357,PC-id_59508357	429.516	AGTCMQDHYJEWDR-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135647
COc1ccccc1n1cnnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_3372883,PC-id_2490650,CoCoCo_3137282,SCHEMBL21045369,MCULE-5087640492,EMOLS-id_3291198	429.516	AOHJHKFWAMDOHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135648
COc1ccc(n2cnnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	SCHEMBL21045255,ZINC22_3365233,MCULE-4344338491,EMOLS-id_3289564,CoCoCo_3139158,PC-id_2482927	429.516	DLVGILINRPEKTK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135649
COC(=O)c1c(NC(=O)CSc2nnc(c3ccncc3)n2C)sc2c1CCC2	PC-id_16270279,MCULE-2754784745,CoCoCo_3073645,ZINC22_9884114,EMOLS-id_43773373	429.516	XCMIHZKXLHEAHI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-135650
NC(=O)c1c(NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)sc2c1CCC2	ZINC22_9491783,MCULE-6642704525,EMOLS-id_43786011,PC-id_2504979,CoCoCo_3122513	429.516	BYMAJJZZWYYIFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135651
O=C(N1C(c2[nH]nc(NC(=O)c3ncoc3CC)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72310302	429.516	KZJUNEIRFOYZSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135652
O=C(N1C(c2[nH]nc(NC(=O)c3oc(nc3C)C)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72310483	429.516	AGTCMQDHYJEWDR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135653
s1c2CCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1ccc(OC)cc1	PC-id_27684765	429.516	MDYKGZXNCVAVQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135654
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1ccc(OC)cc1)C(=O)N	PC-id_29331289	429.516	LHPILXSNGOIWJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135655
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1ccncc1)C(=O)OCC	PC-id_4823379	429.516	GQEZXAOBWZFFEU-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-135656
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)C)C(=O)OC	PC-id_17303630	429.516	YUIRRSOZFHTOTF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-135657
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)CC=C)C(=O)N	PC-id_30908359	429.516	YAQZCUGCPZEEKW-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-135658
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(cccc1)C)C(=O)OC	PC-id_16508662	429.516	MPBCUESXCZQVRS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135659
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(cc1)C)C(=O)OC	PC-id_18874147	429.516	OYSUPJLNINLVOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135660
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)Nc1ncccc1)C(=O)OCC	PC-id_49737580	429.516	FFLUCRZIVNZVLS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-135661
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(cc1)C(C)C)C(=O)OC	PC-id_19221468,MCULE-7223333734	429.529	KLYITBCAMWHRIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135662
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-8411243425,PC-id_4424495	429.529	IMNRKAPROBYLJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135663
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_73569577,MCULE-2839700726	429.529	QHWBWDAFYCCEBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135664
c1(NC(=O)C=Cc2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_5046144,MCULE-8706770208	429.529	CFNWARRIJXFYFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135665
COC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C1CCCCC1)S(=O)(=O)C	PC-id_20235130,SCHEMBL10811523	429.529	NBOZRLURPRSBFV-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-135666
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OCC)c(OCC)cc1)C(=O)OCC	PC-id_5562017	429.529	CFNWARRIJXFYFF-ACCUITESSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135667
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCC)cc1)C(=O)OCC	PC-id_1666548	429.529	IMNRKAPROBYLJQ-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135668
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC(C)C)cc1)C(=O)OCC	PC-id_19207738	429.529	QHWBWDAFYCCEBF-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135669
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)OCCCc1ccccc1)C(=O)OC	PC-id_4923740	429.529	BWBSASRHXHIUEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135670
s1c2c(CCC2)c(c1NC(=O)CCC(=O)OCCCc1ccccc1)C(=O)OCC	PC-id_4934321	429.529	WTCBUTUXTZKDJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135671
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_5172810	429.529	NDLJEKGBUYFZGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135672
c1(c2CCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1ccc(cc1OC)OC	ZINC22_13465498,PC-id_1080830,CoCoCo_339677,EMOLS-id_1471708,MCULE-7331600110,BAS-05618459	429.532	QXBMLSHVQSJXGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135673
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2783534,PC-id_3820204,CoCoCo_5990396,TIMTEC194286,ZINC22_13892849,MCULE-5363279527	429.532	HKRHSMRAGIAMDP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135674
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccccc1OCC	ZINC22_16193211,MCULE-8753134479,CoCoCo_868443,PC-id_1328811,EMOLS-id_177549771,ChEMBL-DNDi_CHEMBL7013372	429.532	FMZJWZXUQZKROM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135675
c1(c2CCCc2sc1NC(=O)CN(CC)CC)C(=O)Nc1ccccc1C(=O)OC	CoCoCo_865233,MCULE-1524787880,EMOLS-id_2184042,PC-id_2296517,ZINC22_3000381	429.532	NHDMOPJRQRZZLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135676
c1(NC(=O)C2CC(=O)N(C(C)(C)C)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340009,MCULE-9808102093	429.532	WMTDIAUHWWVROO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-135677
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCCCO)sc2CCCc2c1C#N	EMOLS-id_331632581,MCULE-3690315880	429.532	XDICOSJMYWQJPK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135678
c1(NC(=O)COc2cn(c(cc2=O)C)CCCOC(C)C)sc2CCCc2c1C#N	EMOLS-id_331630276,MCULE-1684297280	429.532	JFWKNEJVSQMIJC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135679
CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C(C)C	CoCoCo_4958845	429.532	WTWAQAUFEQFNTB-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135680
CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C(C)C	PC-id_2569105,EMOLS-id_26063037,CHEMBL4590270,CoCoCo_4958844,ZINC22_3448915,MCULE-8311051648	429.532	WTWAQAUFEQFNTB-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135681
CCOc1ccc(cc1C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109639	429.532	UDOPCDUEZZRHQR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-135682
CC(Oc1ccc(cc1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C	PC-id_92109648	429.532	VIHZOBZGPCJOOL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-135683
COc1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324902917	429.532	PNBBUBUARUTXBW-AQTBWJFISA-N	00000000100010110001000010000000000000000000000000000000	25-01-135684
COc1ccc(c(c1)C1CCCN1CC(=O)Nc1sc2c(c1C(=O)N)CCC2)OC	PC-id_16390894,EMOLS-id_11867643,MCULE-4259589968	429.532	RFKMAIFCZPGMLH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135685
COc1ccc(c(c1)OC)C1CCCN1CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_16338526,EMOLS-id_11779834,MCULE-6352056479	429.532	SKQUHVJGKUMVBI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135686
COc1ccc([C@H]2CCCN2CC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	CoCoCo_4128221,ZINC22_9683462,CoCoCo_4128220,PC-id_41173511	429.532	SKQUHVJGKUMVBI-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135687
COc1ccc([C@@H]2CCCN2CC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	ZINC22_9683459,PC-id_41173508,CoCoCo_4128219,CoCoCo_4128218	429.532	SKQUHVJGKUMVBI-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135688
COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_4127662,PC-id_41292104,ZINC22_9952459,CoCoCo_4127661	429.532	RFKMAIFCZPGMLH-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135689
COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_9952462,PC-id_41292108,CoCoCo_4127663,CoCoCo_4127664	429.532	RFKMAIFCZPGMLH-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-135690
COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)sc2c1CCC2	CoCoCo_3369418,MCULE-7714905606,EMOLS-id_4276155,ZINC22_14196318,CoCoCo_3369417,PC-id_22199490	429.532	NISRBBFPEKFHQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135691
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)CCC1CCCCC1	MCULE-2287383986	429.532	PNBBUBUARUTXBW-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-135692
s1c2CCCc2c(c1NC(=O)CCN(Cc1c(OC)c(OC)c(OC)cc1)C)C#N	PC-id_24588899	429.532	YPOJDSFCXSLQCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135693
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(N(CC)CC)cc1)C)C(=O)N	PC-id_52499907	429.532	YLJUUBUPYDHDCG-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135694
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(N(CC)CC)cc1)C)C(=O)N	PC-id_52499909	429.532	YLJUUBUPYDHDCG-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135695
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(O)cc1)C(=O)OCC	PC-id_4818373	429.532	YDUQDJUZSNQVST-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135696
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(OC)cc1)C(=O)OC	PC-id_22198614	429.532	QSDUFROPROWPAY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135697
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C(=O)OC	PC-id_22199439	429.532	SHYJKROEZILVJA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135698
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(O)cccc1)C(=O)OCC	PC-id_2685289	429.532	RRJFHHDCNQITMI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135699
s1c2c(CCC2)c(c1NC(=O)CNc1c(ccc(c1)C(=O)NCC)C)C(=O)OCC	PC-id_55896847	429.532	AHVPYZZUAQFDBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135700
s1c2c(CCC2)c(c1NC(=O)CNc1c(C(=O)NC(C)C)cccc1)C(=O)OCC	PC-id_36861781	429.532	DMORPJJRUOADOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135701
s1c2c(CCC2)c(c1NC(=O)CNc1c(N2CCC(O)CC2)cccc1)C(=O)OC	PC-id_52704916	429.532	IPKMEWQJQISPGG-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-135702
s1c2c(CCC2)c(c1NC(=O)C(NC(=O)c1c(OCC)cccc1)C(C)C)C(=O)N	PC-id_2569107	429.532	WTWAQAUFEQFNTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135703
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(N(CC)CC)cc1)C)C(=O)N	PC-id_75859911	429.532	YLJUUBUPYDHDCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135704
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCCCCC1	PC-id_16947971	429.532	ISXKYHPSTYEZHL-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-135705
s1c2CCC(C(=O)NC3CCCCC3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16948001	429.532	HEHLKTRBIPJKLJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135706
s1c2c(nc1NC(=O)c1cc(OC)cc(OC)c1)C(CC2)C(=O)N1CC(CCC1)C	PC-id_16947974	429.532	CDHQLRCVGUHORF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135707
s1c2c(nc1NC(=O)c1cc(OC)cc(OC)c1)C(CC2)C(=O)N1CCC(CC1)C	PC-id_16947975	429.532	DFZQPPDJYRCNHU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135708
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ccc1F)(C)C	PC-id_25155473,SCHEMBL3326156	429.534	UTJFSCBUJVLOCV-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-135709
COc1ccccc1c1csc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	EMOLS-id_328223102,MCULE-4455251854	429.534	IRHLJGHNQKDASG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135710
COc1cccc(c1)c1csc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	MCULE-8614604026,EMOLS-id_328222846	429.534	CPYBHFVMGZFMSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135711
CCOc1ccc(cc1)CN1CCNC(=O)[C@@H]1CC(=O)NCc1nc2n(c1)CCS2	CoCoCo_1337452,CoCoCo_1337450	429.536	RXICIIDLYGXJCA-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135712
CCOc1ccc(cc1)CN1CCNC(=O)[C@H]1CC(=O)NCc1nc2n(c1)CCS2	CoCoCo_1337453,CoCoCo_1337451	429.536	RXICIIDLYGXJCA-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135713
S1c2n(CC1)cc(n2)CNC(=O)CC1N(CCNC1=O)Cc1ccc(OCC)cc1	PC-id_45203934	429.536	RXICIIDLYGXJCA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135714
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2cccs2)sc2c(CCC2)c1C#N	MCULE-1859583130,EMOLS-id_322525553	429.539	RFGUPMTVKDUIME-UHFFFAOYSA-N	00000010100100100001000010000000000000000000000000000000	25-01-135715
N#Cc1c(NC(=O)CSc2nnc([nH]2)N/N=C/c2cccs2)sc2c1CCC2	PC-id_17369081,SPECS-id_AN-153/I184314	429.542	XGKXVRMTJLUYRT-UFWORHAWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-135716
N#Cc1c(NC(=O)CSc2nnc([nH]2)NN=Cc2cccs2)sc2c1CCC2	PC-id_73384588,MCULE-8182641538	429.542	XGKXVRMTJLUYRT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-135717
s1c2c(nc1NC(=O)c1ccc(F)cc1)C(C(=O)NC1CC(CC(C1)C)(C)C)CC2	PC-id_16947209	429.551	IVKOEGAVSHXNOW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135718
s1c2c(c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_74534349	429.552	BCBBDAMMUJMBBE-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-135719
s1c2c(c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_27526833	429.552	BCBBDAMMUJMBBE-SJORKVTESA-M	00000010100011000000000010000000000000000000000000000000	25-01-135720
s1c2c(c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_27526835	429.552	BCBBDAMMUJMBBE-IRXDYDNUSA-M	00000010100011000000000010000000000000000000000000000000	25-01-135721
s1c2c(c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_27526837	429.552	BCBBDAMMUJMBBE-IAGOWNOFSA-M	00000010100011000000000010000000000000000000000000000000	25-01-135722
s1c2c(c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCC1)CCC2	PC-id_27526839	429.552	BCBBDAMMUJMBBE-DLBZAZTESA-M	00000010100011000000000010000000000000000000000000000000	25-01-135723
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC1OCCC1)Cc1ccccc1)C(=O)OC	PC-id_75912359	429.552	HHPGMMMPUONIBS-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-135724
s1c2c(CCC2)c(c1NC(=O)C[NH+](C[C@H]1OCCC1)Cc1ccccc1)C(=O)OC	PC-id_52733725	429.552	HHPGMMMPUONIBS-KRWDZBQOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-135725
s1c2c(CCC2)c(c1NC(=O)C[NH+](C[C@@H]1OCCC1)Cc1ccccc1)C(=O)OC	PC-id_52733727	429.552	HHPGMMMPUONIBS-QGZVFWFLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-135726
CCN(CC)C(=O)c1cc(C)ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328221041,MCULE-4786191872	429.554	CNZRXCSBRGJMKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135727
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)COc1ccc(cc1)c1ccccc1	PC-id_92109902	429.554	QALRNADWDOSEHU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135728
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)CC	PC-id_56240037	429.554	OZIMVMOZEFRDGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135729
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)C)sc2c(CCC2)c1C#N	PC-id_23962111,MCULE-3512989095,EMOLS-id_322861033	429.556	RFHHLKKCPRICNH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135730
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)sc2c(CCC2)c1C#N	MCULE-3047820730,EMOLS-id_322861289	429.556	ZWRSERFHHWTGPA-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-135731
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_12048128,PC-id_16831734,MCULE-4583724779,ZINC22_10337589,CoCoCo_5199941	429.556	LHHVUQHTVFKJKW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135732
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CC=C)sc2CCCc2c1C#N	EMOLS-id_331789747,MCULE-3819504436	429.556	RVYZAQXBYNCKKF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135733
c1(NC(=O)CSc2nc(CC)c(cc2C#N)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_3750034,SPECS-id_AM-807/14147266,ZINC22_663292,CoCoCo_1825919,MCULE-3472254654,STOCK2S-91177,PC-id_1005138	429.556	WYTOBHMEPGXAEW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135734
c1(NC(=O)CSc2nc(C)c(c(C)c2C#N)C)sc2c(CCC2)c1C(=O)OCC	MCULE-6708605330,CoCoCo_6930063,ZINC22_663280,EMOLS-id_3750030,SPECS-id_AM-807/14147257,STOCK2S-87066,PC-id_1005130	429.556	YSTMDAFXMGIZDK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135735
c1(NC(=O)CS(=O)C(C)C(=O)Nc2cc(C)ccc2C)sc2c(CCC2)c1C#N	EMOLS-id_320695900,MCULE-7532410977	429.556	WEJLQHCWLUPZDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135736
c1(NC(=O)CS(=O)C(C)C(=O)Nc2cccc(C)c2C)sc2c(CCC2)c1C#N	MCULE-3827565676,EMOLS-id_320649666	429.556	YGWSXACZVPMFKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135737
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(CC)cc2)sc2c(CCC2)c1C#N	MCULE-7034703763,EMOLS-id_320687711	429.556	YXFRIVXWPZPTOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135738
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320670795,MCULE-8508934536	429.556	IIMGGQXUIIZXCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135739
c1(NC(=O)CS(=O)CC(=O)Nc2c(C)cc(cc2C)C)sc2c(CCC2)c1C#N	MCULE-1247006856,EMOLS-id_320670037	429.556	KXIRITNJJWYDTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135740
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(C(C)C)cc2)sc2c(CCC2)c1C#N	EMOLS-id_320639726,MCULE-1297960782	429.556	IBINNXRAFTXPNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135741
c1(NC(=O)CS(=O)CC(=O)N(CC)c2cccc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_320717917,MCULE-5636696189	429.556	UGYMUGVGCYPVLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135742
Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_1107146,EMOLS-id_6747278,TIMTEC168419,MCULE-1522142237,ZINC22_837480	429.556	GHPUIBUXKSWAKS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135743
CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_4578332,MCULE-3738542372,EMOLS-id_4950575	429.556	BJNLQSASMVCHLX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135744
CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-7551897480,PC-id_23818623,EMOLS-id_322860777	429.556	PBAQUOHMXLTXGQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135745
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_9445362,CoCoCo_5025987,PC-id_41073064	429.556	BJNLQSASMVCHLX-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135746
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_9445364,CoCoCo_5025988,PC-id_41073065	429.556	BJNLQSASMVCHLX-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135747
N#Cc1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)sc2c1CCC2	CoCoCo_6774723	429.556	FYMIJYJOCJIPDW-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-135748
O=C(C[N@@H+]([C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C)Nc1cccc(c1C)C	GD-id_ZINC14931143,PC-id_26305288	429.556	SGADYGBHYZEBQO-AWEZNQCLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-135749
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](CC(=O)Nc1c(c(ccc1)C)C)C)C)C(=O)N	PC-id_26305286	429.556	SGADYGBHYZEBQO-CQSZACIVSA-O	00000010100000110000000010000000000000000000000000000000	25-01-135750
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1c(OC)cccc1	PC-id_51628852	429.556	DZHZKOQIYIHUBB-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-135751
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)CCOc1ccccc1)C(=O)N	PC-id_30628326	429.556	WJNZKERSTDPLBB-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-135752
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)CCO)C(=O)Nc1ccccc1	PC-id_51628858	429.556	HCVJMMXFFVMNSK-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-135753
s1c2c(CCC2)c(c1NC(=O)C([NH+](CC(=O)Nc1c(c(ccc1)C)C)C)C)C(=O)N	PC-id_74494947	429.556	SGADYGBHYZEBQO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-135754
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1)C(=O)OC	PC-id_20408337	429.556	CKVPLNCZMJAHPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135755
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(cc1)C	PC-id_16829166	429.556	RDCWOTCBFLOPEW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135756
S(=O)(=O)(N(C1CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_43947304	429.556	HXGLMSKMEKBADX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135757
c1(NC(=O)C2CCN(CC2)S(=O)(=O)C)c2CSCc2nn1CC(=O)NCCC	PC-id_30862154,CoCoCo_5277520,MCULE-6537636252,EMOLS-id_24913179,ZINC22_23138817	429.557	PFIUYTVDZOWCQE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135758
Cc1csc(CC(=O)N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1	MCULE-4966510049,PC-id_17554200,ZINC22_35269225,EMOLS-id_11972540,CoCoCo_4137657	429.559	STLPZWACANYWSM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135759
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)C(=O)Nc1sccn1)C#N	PC-id_56359700	429.559	OSVVWVWRZVCABY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135760
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCC(=O)N)nn1)C(=O)N	PC-id_32036900	429.561	QGMGMFDEKWIDRU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135761
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC)sc2c(CCC2)c1C(=O)OC	MCULE-3837632949,PC-id_2072056	429.572	YVVZRQGNFUFLOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135762
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1865852,CoCoCo_1784103,MCULE-1776011499,PC-id_1565003,ZINC22_1773504,CHEMBL1360189	429.572	HHDBSYFCDXMFAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135763
c1(NC(=O)CCCOc2ccc(c(C)c2)C(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-1766846443,PC-id_2072297	429.572	JGSVIRZTYFKNMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135764
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCCCCCC)cc1)C(=O)OCC	PC-id_4950623	429.572	UWWCJKXWKSLJLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135765
s1c2c(CCC2)c(c1NC(=O)C(CCCOc1c(ccc(c1)C)C)(C)C)C(=O)OC	PC-id_54783598	429.572	QVMHCHPWYFKLHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135766
s1c2c(CCC2)c(c1NC(=O)C(Oc1c(C(CC)C)cccc1)CC)C(=O)OCC	PC-id_17150611	429.572	PQOMWARQHMMXNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135767
Fc1c(C[NH+]2C[C@@H](CCC2)CN(CC[NH+](C)C)C(=O)c2n[nH]c3c2CCC3)cccc1	PC-id_42290967	429.574	ZKVTXUAVHQQRMM-GOSISDBHSA-P	00000010100010110001000010000000000000000000000000000000	25-01-135768
Fc1c(C[NH+]2C[C@H](CCC2)CN(CC[NH+](C)C)C(=O)c2n[nH]c3c2CCC3)cccc1	PC-id_42290969	429.574	ZKVTXUAVHQQRMM-SFHVURJKSA-P	00000010100010110001000010000000000000000000000000000000	25-01-135769
c1(c2CCCc2sc1NC(=O)CN(CCC)CCC)C(=O)Nc1ccc(cc1)OC	MCULE-9089469576,CoCoCo_6728243,EMOLS-id_2783528,ZINC22_4553409,PC-id_5156061	429.576	MDMVKYNKHGUHBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135770
CN(C)CCN(C1CCS(=O)(=O)C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1908635796,EMOLS-id_328339100	429.576	QLBYXQQCUUZYAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135771
COc1cc(OC)c(cc1C(=O)N1Cc2c(C1)cc(s2)CN1CCNCC1)C(C)C	PC-id_141750761	429.576	JQRAEPHHDGOUCF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135772
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC(C)C)CC(C)C	PC-id_16947812	429.576	IIHKEWPHCYXTHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135773
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCCCCCCC	PC-id_16947939	429.576	IQBVYNBAAZIAID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135774
C(=O)(Nc1sc2CCCc2c1C#N)CCCN(Cc1ccccc1)Cc1ccccc1	EMOLS-id_327972330,MCULE-2080066072	429.577	HKLUQROJSYVROJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135775
CC1(c2c(CN1C(=O)Nc1ccccc1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348550,PC-id_135195420	429.579	OJHGOCHKRVQAHG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-135776
CC1(CCC(=C(C1)N)C(=C1C=c2c(=N1)cc(s2)N(C)C(=O)CN1CCOCC1)N)C	PC-id_90077469	429.579	LEZVXLRODZKODW-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-135777
CCN(CCNc1cccc(c1C)C(=O)Nc1sc2c(c1C(=O)NN)CCC2)CC	PC-id_140055971	429.579	WRQIBMITVNWNAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135778
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(CSc2scc(n2)C)cc1	PC-id_45767317	429.579	MSBGYMBKBXFMGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135779
s1c2CCCc2cc1C(=O)NNC(=O)Cn1c(c2ccc(cc2)C)csc1=S	PC-id_24414329	429.579	PQSWCTIPUNRDDY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135780
s1c2CCCc2c(c1NC(=O)CC[NH+](CC(=O)Nc1c(SC)cccc1)C)C#N	PC-id_38215678	429.579	KVVOJNUTZUGCLP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-135781
s1c2c(CCC2)c(c1NC(=O)CSc1scc(n1)c1ccc(cc1)C)C(=O)N	PC-id_24341131	429.579	KEGZPYOFXRGCGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135782
FCCOc1c(C)cc(cc1C)CNC(=O)c1sc(c2c1CC([C@H]2C=C)C(C)C)C	PC-id_143171980	429.59	GVFYAZBVYDEUDM-FIWHBWSRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135783
CCCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956501	429.597	ATYRREFKUBWNFH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135784
CC(C)OC(=O)c1c(NC(=S)N2CCN(c3ccccc3)CC2)sc2c1CCC2	CHEMBL4556369	429.599	GWERQURVGPGAHR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135785
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OC	PC-id_19655111	429.599	CVCCDUVROZUHNR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135786
s1c2c(CCC2)c(c1NC(=S)N1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OC	PC-id_19655343	429.599	RABMUZFQEZIDEP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135787
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(cc1)C)C(=O)OC	PC-id_20175343	429.599	KMNZBZUQNYTQDV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135788
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(cccc1)C)C(=O)OC	PC-id_20175598	429.599	HOXLYRCRRAKTPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135789
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(CN2CCCCC2)cc1)C(=O)OC	PC-id_20170960	429.599	KBXMIPJQZHVBEL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135790
s1c2c(CCC2)c(c1NC(=S)NC1CCN(CC1)Cc1ccccc1)C(=O)OC	PC-id_19654256	429.599	IHUHYVDUVNLMSF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-135791
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCC)nn1)C(=O)OCC	PC-id_29967444	429.6	MYRYEWSRBKONBL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135792
CCCCN(c1ccc(s1)/C=c/1c2nnc(n2nc1C(C)(C)C)C(CO)(C)C)CC	SCHEMBL12559694,PC-id_59211647	429.622	FYOYVNOXHMQBBB-VKAVYKQESA-N	00000000100100000001000010000000000000000000000000000000	25-01-135793
s1c(C=c2c(nn3c(nnc23)C(CO)(C)C)C(C)(C)C)ccc1N(CCCC)CC	PC-id_72531822	429.622	FYOYVNOXHMQBBB-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-135794
C1CCC(CC1)Nc1cc(SC2CCNCC2)cc(n1)Nc1sc2c(n1)CCC2	PC-id_144988280	429.645	CYUQTBJNQDEJTL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-135795
CC(N=C1C(=NC(C)(C)C)N(c2c1n(c(c2)NC(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_139070861	429.685	JLMGJKZNYPCZAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-135796
Clc1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(Cl)ccc1Cl	PC-id_16496503	429.705	OXMORPQGGWMQSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135797
Brc1cc(Cl)c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_3422899	429.716	UCQBRQQTRJXDQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135798
c1(NC(=O)COc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)N	PC-id_19202142,MCULE-1976337549	429.716	AVETYYYLFVOEDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135799
CC(=CC(=O)c1c2CCCc2c(s1)C(=O)OC)c1cc(c(c(c1)Cl)Cl)Cl	PC-id_89759468	429.745	ZDFIOFGHFRRSOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135800
COC(=O)c1sc(c2c1CCC2)C(=O)/C=C(c1cc(Cl)c(c(c1)Cl)Cl)/C	SCHEMBL15199023	429.745	ZDFIOFGHFRRSOY-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135801
c1(NC(=O)COc2c(Cl)c(C)c(c(C)c2Cl)Cl)sc2c(CCC2)c1C#N	MCULE-3171284186,EMOLS-id_1832165,CoCoCo_564535,ZINC22_1067582,PC-id_1256419,SPECS-id_AN-153/I250694	429.748	LSVMWDGLIOOLQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135802
O=C(N1Cc2c(C1)c(nn2C(=O)c1c(Cl)cccc1C(F)(F)F)C)OC(C)(C)C	PC-id_145138681	429.821	PLTXOTIRFVIUAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135803
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(F)c(F)c1	PC-id_16528251	429.822	GJEINQDGWUZMQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135804
Clc1ccc(C(=O)COC(=O)c2c3CCCc3sc2NC(=O)c2occc2)cc1	PC-id_42982164	429.873	VAXAVLFJSWNIIA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-135805
c1(NC(=O)c2c(=O)ccn(c3cccc(Cl)c3)n2)sc2c(CCC2)c1C(=O)OC	PC-id_16453318,MCULE-5268145418,EMOLS-id_4731385,CoCoCo_6285940,STOCK6S-04530,TIMTEC410676,ZINC22_8995997	429.877	QRVNFCZTSTVQQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135806
CCOc1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)ccc1O	EMOLS-id_324886020	429.877	SOGCGPHOWSHIEO-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135807
CCOc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)ccc1O	EMOLS-id_324844281	429.877	QQHCUKQLTLONFA-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135808
CCOc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1O	EMOLS-id_324886023	429.877	OZLYLMRGSGTKHF-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135809
CCOc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1O	EMOLS-id_324844284	429.877	LUTXTOSJELBWGS-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135810
CCOc1ccc(OCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324880393	429.877	NBTQVUNEYFZKLB-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135811
COc1ccc(Cc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)cc1OC	EMOLS-id_324923407	429.877	ZWADHLHMZDWIHE-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135812
COc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1OC	EMOLS-id_324884484	429.877	WQSUHSCNYCJQRU-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135813
COc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_324842745	429.877	LEQJZRCHZWYITL-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135814
COc1cccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1OC	EMOLS-id_324883976	429.877	RCGAKJACYFCGDB-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135815
COc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1OC	EMOLS-id_324842237	429.877	KDDNSPRESHAWEF-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135816
COc1ccc(OC)c(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c1	EMOLS-id_324884488	429.877	YYQOWYANQQRDFR-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135817
COc1ccc(OC)c(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)c1	EMOLS-id_324842749	429.877	GDLREFFNSQVWOD-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135818
n12nc(nc1sc(=Cc1cc(ccc1O)Cl)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-9468817641	429.877	ZWADHLHMZDWIHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135819
n12nc(nc1sc(=Cc1cc(ccc1O)Cl)c2=O)COc1ccc(cc1)OCC	MCULE-2195349454	429.877	NBTQVUNEYFZKLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135820
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1ccccc1Cl	MCULE-9397731912	429.877	YYQOWYANQQRDFR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135821
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1ccc(Cl)cc1	MCULE-8121306824	429.877	GDLREFFNSQVWOD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135822
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1ccccc1Cl	MCULE-9612932001	429.877	RCGAKJACYFCGDB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135823
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1ccc(Cl)cc1	MCULE-5719807192	429.877	KDDNSPRESHAWEF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135824
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1ccccc1Cl	MCULE-5595318509	429.877	OZLYLMRGSGTKHF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135825
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1ccc(Cl)cc1	MCULE-1874867842	429.877	LUTXTOSJELBWGS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135826
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1ccccc1Cl	MCULE-5718174397	429.877	WQSUHSCNYCJQRU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135827
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-2462478424	429.877	LEQJZRCHZWYITL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135828
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1ccccc1Cl	MCULE-4429545460	429.877	SOGCGPHOWSHIEO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135829
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-2083528258	429.877	QQHCUKQLTLONFA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135830
Fc1cc(ccc1Cl)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331282789	429.892	HZMZTHPBEVRBJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135831
Clc1ccc(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)cc1	PC-id_16947221	429.895	CNPLMJHJSYEOAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135832
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(F)c(cc2)C)cc1	PC-id_16947441	429.895	ISAATQDPPXCERJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135833
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2ccc(F)cc2)cc1	PC-id_16947374	429.895	COCKAOCVRYJSFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135834
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)ccc1F	PC-id_16947586	429.895	OPGAPKAYWAAPAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135835
Clc1c(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)ccc1)C	PC-id_16947280	429.895	JYMBINNDTNQQII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135836
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)c(cc1)C	PC-id_16947281	429.895	LXWLWTFNFPJDNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135837
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)ccc1C	PC-id_16947282	429.895	WAJMAKFWOSRMFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135838
Clc1c(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)cccc1	PC-id_16947214	429.895	AJKBSVCAKRHMIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135839
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(COC1)C)C)Cl	SCHEMBL20252868,PC-id_134598968	429.897	KREDTKOOHAXCFW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-135840
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CC)n2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_9391445,CoCoCo_6210844,MCULE-9920183172,PC-id_16438348,ZINC22_8868086,TIMTEC433867	429.898	RRWDZHOFGQBRLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-135841
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)C)n2)sc2c(CCC2)c1C(=O)OCC	TIMTEC516877,CoCoCo_2209677,MCULE-2810883914,PC-id_16436781,ZINC22_9431673,EMOLS-id_2636616	429.898	WAHFNABDSRYOBQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-135842
Cc1csc2nc(Cl)c(/C=c/3sc4nc(COc5ccccc5)nn4c3=O)n12	EMOLS-id_324845297	429.903	PPSCYAGJIKVVCY-QPEQYQDCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-135843
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1ccccc1	MCULE-9507964888	429.903	PPSCYAGJIKVVCY-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-135844
Clc1ccccc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324822009	429.921	DIIATXXYWVZHLC-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135845
Clc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324825078	429.921	QZFJEKSMWRECHL-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135846
n12c(=O)c(=Cc3ccccc3Cl)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-3079090251	429.921	DIIATXXYWVZHLC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135847
n12c(=O)c(=Cc3ccc(cc3)Cl)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6876253220	429.921	QZFJEKSMWRECHL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135848
CC[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)F	SCHEMBL19767353,PC-id_134167013	429.938	QZUZJFBNVMRESS-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135849
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1C(CC2)(C)C)C(=O)C(=O)NC(C)C)C)Cl	PC-id_134598971,SCHEMBL20252871	429.94	YNBACWSHQKVBAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135850
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_57650249,EMOLS-id_320341770,MCULE-4819729657,PC-id_145888699	429.943	LUNMSXRJKLYKLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135851
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(=O)Cc1cccc(c1)Cl	PC-id_109546122	429.946	KLFXXYUQYBIBIY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135852
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCC2=CCCCC2)cc1	PC-id_16947369	429.963	JKAMSSDKOUCQGZ-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-135853
CCCCc1cc2n(c1C(=O)c1cccc(c1)Cl)CCC2C(=O)OCCCCCC	PC-id_20351663,SCHEMBL11604265	429.979	NFTZSGKXVNYZIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135854
CCNC(=NCc1nnc2n1CCC2)NCC1CCCN(C1c1cccc(c1)Cl)C	PC-id_111637524	429.989	QGGYGXHCZUDYHW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135855
Clc1ccc(C2(CCCC2)C(=O)N2CCN(CC2)Cc2sc3c(n2)CCC3)cc1	PC-id_44060321	430.006	LNRBBBOCAQWUHF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135856
CN(C(=O)c1cc(Br)c(c(c1)Br)O)Cc1nnc2n1CCC2	EMOLS-id_316883530	430.095	NAWZNXYJISPROJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135857
CC1=C(C=CO1)C2=CN=C(N2C)SC(C)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N	PC-id_155097819	430.113	WUZXRMINBYQOJC-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-135858
CC1(C2=C(CN1CC3=CC=C(C=C3)OC(F)(F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_165389122	430.162	AIRUCXQVPMLCDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135859
CC1=CC(=CC=C1)C2=NN(C(=C2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5)C	PC-id_155269006,CHEMBL4534363	430.175	PJUDTYOQRPVVEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135860
CCCOc1ccc(cc1Br)C(c1sc2c(c1)CCC2)Br	PC-id_104662137	430.197	QQBBOFJGPXQXPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135861
COc1c(C)cc(c(c1C(c1sc2c(c1)CCC2)Br)C)Br	PC-id_104054401	430.197	RFWQGOOYQYWJNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135862
CC1CC(C2=NC=NN12)NC(=O)C3=CC(=CC=C3)NCC4=NN=C(N4C)C5=NC=NC=C5	PC-id_162365873	430.198	FZAKLBMKQIYICS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135863
ClC(Cl)c1n(c(c2C(CC(c12)(C)C)(C)C#N)C(Cl)Cl)Cc1ccccc1	PC-id_12894312,SCHEMBL11347589	430.198	QTADLSUTMIIJAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135864
CC1=CC(=CC=C1)CN2CC(=C)N3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)O	PC-id_160200719	430.2	UBTHDQXGCKTYIG-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135865
CC1=C(C=C(C=C1)NC(=O)C2=C(C(=C3N2CCC3)C(=O)C(=O)NC45CC(C4)(C5)C#N)C)C	PC-id_148007313	430.2	IYCVCWIGLDTKIE-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-135866
CCCNC(c1ccc(c(c1)Br)Br)c1sc2c(n1)CCC2	PC-id_108400405	430.201	VLLOPAOYEDKWMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135867
CC(NC(c1ccc(c(c1)Br)Br)c1sc2c(n1)CCC2)C	PC-id_108400411	430.201	JVLRZPPSTAPJKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135868
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(C(CC4)C(F)F)C(=N3)C(=O)C)C	PC-id_153600065	430.218	CUWSVOZNFHYQJX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135869
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(CC(C4)C(F)F)C(=N3)C(=O)C)C	PC-id_153600273	430.218	UWUJOWUCGLHHSC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135870
N#Cc1nc2n(c1Br)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261630	430.219	MXDYFLQASFEBPJ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135871
CC1=C2CCC(C2=NN1)NC(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CC(C5)(C)C#N)C	PC-id_153404037	430.223	DUBOOJCWHRKKBB-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-135872
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)NC5CC5)N	PC-id_154689177	430.228	HEGUIDXCQVKOCO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-135873
BrC1(C2SC=C(N2C1=O)C(=O)O)C(OC(=O)C)c1nn2c(OCC2)c1	PC-id_77740132	430.231	VNVWMDVKCDFTHG-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-135874
BrC1([C@H]2SC=C(N2C1=O)C(=O)O)C(OC(=O)C)c1nn2c(OCC2)c1	SCHEMBL6805944,PC-id_69902049	430.231	VNVWMDVKCDFTHG-IWXRYERYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-135875
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](OC(=O)[C@@H]1CCc2c[nH]nc12)c1ccccc1	ZINC22_1875340426	430.284	ANEIYBOXYDQXPN-MJGOQNOKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135876
O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)[C@H]1CCc2c[nH]nc12	ZINC22_1875340424	430.284	ANEIYBOXYDQXPN-HKUYNNGSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135877
O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)[C@@H]1CCc2c[nH]nc12	ZINC22_1875340425	430.284	ANEIYBOXYDQXPN-IEBWSBKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135878
O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)[C@H]1CCc2c[nH]nc12	ZINC22_1875340427	430.284	ANEIYBOXYDQXPN-PKOBYXMFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135879
c1(C(F)F)c2CCCc2n(CC(=O)NCCCn2c(c(Br)c(C)n2)C)n1	ZINC22_36613653,PC-id_19590826,MCULE-6499101111,TIMTEC590002,EMOLS-id_8867139	430.29	ZDWMLCSFIMFZRW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135880
Fc1cc(Br)ccc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324839678	430.293	IMZBGHSOBGACJR-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135881
Fc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1Br	EMOLS-id_324839162	430.293	MMGINWLFPRGFAS-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135882
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)CCc1ccccc1	MCULE-8978981750	430.293	IMZBGHSOBGACJR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135883
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)CCc1ccccc1	MCULE-2558089116	430.293	MMGINWLFPRGFAS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135884
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)C=Cc1ccc(cc1)OC	MCULE-3157959080	430.307	PXHPCSDAEZYTNW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135885
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)C=Cc1ccc(cc1)OC	MCULE-1481685976	430.307	RWCLHNFCVYBYQV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-135886
Clc1c(N/N=C/2C(=Nn3nc(nc23)C)C(C)(C)C)cc(Cl)c(S(=O)(=O)N)c1	PC-id_23579536	430.312	LFKACOAWSGWIEQ-CIAFOILYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-135887
Clc1c(N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)cc(Cl)c(S(=O)(=O)N)c1	PC-id_58647281	430.312	LFKACOAWSGWIEQ-MTJSOVHGSA-N	00000011100000110001000010000000000000000000000000000000	25-01-135888
Clc1c(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)cc(Cl)c(S(=O)(=O)N)c1	PC-id_71190984	430.312	LFKACOAWSGWIEQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-135889
Brc1c(n2c(C(CC2)C(=O)OCCC(C)C)c1)C(=O)c1ccc(cc1)C=C	SCHEMBL10818010,PC-id_20253890	430.335	HZWZHUVQBSSQPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135890
FC(F)(F)Oc1ccc(CN(C(=O)OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)cc1	PC-id_69481462,SCHEMBL5542956	430.335	ZEZIGSGAPUIWBV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135891
FC(F)(F)Oc1ccc(CN(C(=O)OC[C@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)cc1	PC-id_69481463,SCHEMBL5542961	430.335	ZEZIGSGAPUIWBV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135892
FC(F)(F)Oc1ccc(CN(C(=O)OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)cc1	PC-id_69481465,SCHEMBL5542967	430.335	ZEZIGSGAPUIWBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135893
c1(sc2c(CCC2)c1C(=O)OCC)NS(=O)(=O)c1ccc(cc1)Br	TIMTEC553949,MCULE-4277867827,PC-id_1012208,EMOLS-id_8246172,ZINC22_673067,CoCoCo_5824333,BindingDB-id_90943,BindingDB_PC-id_1012208,CHEMBL1382806,SPECS-id_AK-968/15253284	430.337	XPRSOEYQVBCIIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135894
CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1Br	EMOLS-id_17191108,PC-id_24241566,CoCoCo_4164250,ZINC22_15636841,MCULE-2597328987	430.34	RPRHYPJJYXQQEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135895
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1nc2c(s1)CCC2	PC-id_33039242,MCULE-2450318973,CoCoCo_4164206,ZINC22_25767580,EMOLS-id_24500071	430.34	UHYXVFOHHCKPEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135896
O=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1nc2c(s1)CCC2	EMOLS-id_27389924,MCULE-7043636839,ZINC22_25769048,CoCoCo_4642631,PC-id_33040747	430.34	CMJVNQNYONEJED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135897
s1c2CC(C(O)c2cc1C(=O)Cc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C)(C)C	PC-id_58540082	430.34	OEKCZQGUOYBART-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135898
Clc1c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(Cl)cc1	PC-id_4538057	430.368	LRQBTMZGWVHGMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135899
COC(=O)c1c(NC(=O)CSCc2c(Cl)cccc2Cl)sc2c1CCC2	ZINC22_408562999	430.368	HMDFFLXZCHFQFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135900
CON1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F	SCHEMBL21334022,PC-id_139468227	430.372	IXMKAFOHZCCBDB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135901
ClC(P(=C)(C)C)Cc1cc(/N=c/2snc3n2CC(C3)(C)C)c(cc1Cl)C	PC-id_59933086	430.375	ACZXYDDUKOKROL-PYCFMQQDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135902
CC(CN(C[C@H]1Cn2c(O1)ncc2)C)COc1ccc(cc1[N+](=O)[O-])OC(F)(F)F	SCHEMBL5538530,PC-id_69480200	430.378	WNPWJLKEXJACOQ-PYMCNQPYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135903
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCCOc1ccc(cc1)OC(F)(F)F	PC-id_23081447,SCHEMBL5538532	430.378	SUSSCYZIEOACDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135904
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCCOc1ccc(cc1)OC(F)(F)F	SCHEMBL5538526,PC-id_69480196	430.378	SUSSCYZIEOACDW-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135905
FC(F)(F)Oc1cc([N+](=O)[O-])c(OCC(CN(CC2Oc3n(C2)ccn3)C)C)cc1	PC-id_77659580	430.378	WNPWJLKEXJACOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135906
CCC(C(=O)NCCn1cc(c(OC)n1)[N+](=O)[O-])n1nc(c2CCCc12)C(F)(F)F	PC-id_19591039,MCULE-4345485409,EMOLS-id_8867583,TIMTEC341897	430.382	NTALZRLUSYCRKQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135907
CC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])c(OC)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607606,PC-id_29092513	430.382	NTALZRLUSYCRKQ-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-135908
CC[C@H](C(=O)NCCn1cc([N+](=O)[O-])c(OC)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607607,PC-id_29092514	430.382	NTALZRLUSYCRKQ-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135909
COc1nn(CCCNC(=O)C(C)n2nc(c3CCCc23)C(F)(F)F)cc1[N+](=O)[O-]	TIMTEC472066,EMOLS-id_8867657,MCULE-5646044830,PC-id_19591076	430.382	UCFWSZZHNPMFIV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135910
COc1nn(CCCNC(=O)[C@H](C)n2nc(C(F)(F)F)c3c2CCC3)cc1[N+](=O)[O-]	PC-id_51853243,ZINC22_36614057	430.382	UCFWSZZHNPMFIV-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-135911
COc1nn(CCCNC(=O)[C@@H](C)n2nc(C(F)(F)F)c3c2CCC3)cc1[N+](=O)[O-]	ZINC22_36614058,PC-id_51853244	430.382	UCFWSZZHNPMFIV-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135912
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CCN(CC2)C(=O)[O-])cc1)C	PC-id_69480488,SCHEMBL5539221	430.391	JICIAERFGZLODM-LJQANCHMSA-M	00000010100010110001000010000000000000000000000000000000	25-01-135913
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CCN(CC2)C(=O)[O-])cc1)C	SCHEMBL5540425,PC-id_69480825	430.391	JICIAERFGZLODM-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-135914
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(c([N+](=O)[O-])c1)C)C#N	PC-id_1662615	430.391	BCELWJXZURFMAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135915
O=C(Nc1n[nH]c2c1C(NC2)C(=O)c1cccnc1)Cc1ccc(cc1)n1ccoc1=O	PC-id_139982981	430.416	ROHCYQNIFMAUTM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-135916
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-7242641827,EMOLS-id_332761399	430.421	YHESRYSBWLHLRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135917
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1cccc(c1)N(=O)=O)C(=O)OC	MCULE-3083134557,PC-id_2789265	430.431	VTHYDVMQCWLZEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135918
COC(=O)C1CCc2sc(NC(=O)/C=C/c3cccc(c3)[N+](=O)[O-])c(C(=O)OC)c12	STOCK2S-59137,ChemDIV2798-0886,PC-id_5710819,EMOLS-id_26279791	430.431	VTHYDVMQCWLZEO-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135919
COC(=O)c1c(NC(=O)/C=Cc2cccc(c2)[N+](=O)[O-])sc2c1[C@@H](CC2)C(=O)OC	CoCoCo_1708517	430.431	VTHYDVMQCWLZEO-OYVUYXNMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135920
COC(=O)c1c(NC(=O)/C=Cc2cccc(c2)[N+](=O)[O-])sc2c1[C@H](CC2)C(=O)OC	CoCoCo_1708519	430.431	VTHYDVMQCWLZEO-XURPKSDJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135921
COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_1708516,ZINC22_1744130,PC-id_1553452	430.431	VTHYDVMQCWLZEO-PPGNKHEKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135922
COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1553450,CoCoCo_1708518,ZINC22_1744126	430.431	VTHYDVMQCWLZEO-YSKGHYERSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135923
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_42045220	430.431	CBWYJMVQCNRNEQ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135924
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_74775670	430.431	CBWYJMVQCNRNEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135925
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_35686979	430.431	NLGDPKDFJHTXIS-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135926
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_74643203	430.431	NLGDPKDFJHTXIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135927
CCC1CN(CCN1C(=O)[O-])c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69635309,SCHEMBL6010769	430.434	QIZJQPGPUWOVFZ-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-135928
CC[C@@H]1CN(CCN1C(=O)[O-])c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69635320,SCHEMBL6010779	430.434	QIZJQPGPUWOVFZ-QMRFKDRMSA-M	00000010100010110001100010000000000000000000000000000000	25-01-135929
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1c[nH]c(=O)n(c1=O)Cc1ccco1	PC-id_121025946	430.434	CNCSLXWSEIBJDO-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-135930
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1onc(n1)c1occc1)C(=O)N	PC-id_55553070	430.434	ZMWGRATWNQPXIG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-135931
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_19659518	430.434	KLBCUJRHDICRRA-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135932
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_73634003	430.434	KLBCUJRHDICRRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135933
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_4580883	430.434	UMTWOWDFXQLUQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135934
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_9677626	430.434	UMTWOWDFXQLUQI-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-135935
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc([N+](=O)[O-])ccc1)C)C(=O)OC	PC-id_19661048	430.434	JJGJLDCRSMLMGQ-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135936
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc([N+](=O)[O-])ccc1)C)C(=O)OC	PC-id_73635494	430.434	JJGJLDCRSMLMGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135937
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_19658665	430.434	ZQVJTBOZLJGJMB-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-135938
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_73633166	430.434	ZQVJTBOZLJGJMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135939
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_4084976	430.434	KOMRYXIPIQXUGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135940
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_9646054	430.434	KOMRYXIPIQXUGC-KEBDBYFISA-N	00000010100000110000000010000000000000000000000000000000	25-01-135941
CCOC(=O)c1c(nc(s1)NC(=O)CCCn1c2c(CCC2)c(n1)C(F)(F)F)C	SCHEMBL1891414,PC-id_87307697	430.445	WSDJMACUPQKPDR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135942
CCOC(=O)c1sc(NC(=O)C(CC)n2nc(c3CCCc23)C(F)(F)F)nc1C	PC-id_19591006,TIMTEC371896,MCULE-3237249850,EMOLS-id_8867515,SCHEMBL1005426	430.445	PAPOZRHQQWZKEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135943
CCOC(=O)c1sc(NC(=O)[C@@H](CC)n2nc(C(F)(F)F)c3c2CCC3)nc1C	PC-id_29092515,ZINC22_20607608	430.445	PAPOZRHQQWZKEL-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-135944
CCOC(=O)c1sc(NC(=O)[C@H](CC)n2nc(C(F)(F)F)c3c2CCC3)nc1C	ZINC22_20607609,PC-id_29092516	430.445	PAPOZRHQQWZKEL-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-135945
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1ccc(F)cc1)C)C(=O)OC	PC-id_19445304	430.449	GDJKSKJSEYTANZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135946
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1cc(F)ccc1)C)C(=O)OC	PC-id_19492541	430.449	HSNIAUFNPAPILP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135947
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1c(F)cccc1)C)C(=O)OC	PC-id_19492822	430.449	MOBADWCFHLQPBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135948
c1(NC(=O)COc2ccccc2F)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862584,CoCoCo_5277697,EMOLS-id_24913421,MCULE-8729871717,ZINC22_23139309	430.453	IHCRKQGSSXJOTK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-135949
C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_25440882,ZINC22_12691730,CoCoCo_4268299	430.453	FKFGSXSMMMGELU-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135950
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_8936497,CoCoCo_4268298,PC-id_40880207	430.453	FKFGSXSMMMGELU-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135951
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)NC(C1=O)(C)c1ccc(cc1)F	MCULE-4300977572,PC-id_17554123,EMOLS-id_11973880	430.453	FKFGSXSMMMGELU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135952
S1Cc2c(nn(c2NC(=O)COc2ccc(F)cc2)CC(=O)NCc2occc2)C1	PC-id_44053231	430.453	MVUYUFCDUHYIIZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-135953
CC[C@@H]1CC(CCN1c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C(=O)O	PC-id_69635515,SCHEMBL6010972	430.454	YWWYAASRIXTVKG-FAGJFJLWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135954
CCOC(=O)C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL6010967,PC-id_69635509	430.454	DPAJFTCFDLTZDT-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135955
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)N(c1ccc(cc1)OC)C=O	PC-id_141257362	430.454	SZQRTSIAYGLKKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135956
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)C(=O)OCC)cc1)C	PC-id_77713069	430.454	DPAJFTCFDLTZDT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135957
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2C(CC(CC2)C(=O)O)CC)cc1)C	PC-id_77713072	430.454	YWWYAASRIXTVKG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-135958
O(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(OC)cc2)C(=O)OCC)C1)C(C)(C)C	PC-id_71476645	430.454	ORTHLJFDYQZCTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135959
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1Cc2c(C1)sc(n2)N(C)c1ccc(cc1)F	PC-id_134587911,SCHEMBL20240464	430.456	AVVWMWSJYUFQAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135960
Fc1ccc(cc1)N(c1sc2c(n1)CN(C2)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C	SCHEMBL17984216,PC-id_122460363	430.456	AVVWMWSJYUFQAU-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-135961
O=C(n1nc(NC(=O)c2ccc(OC)cc2)c2c1CN(C2)C(=O)c1ccccc1)C1CC1	PC-id_71451354	430.456	NYFYIUHAEVNVKU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-135962
s1c2c(CCC2)c(c1NC(=O)CNc1cc(n2nnnc2)ccc1F)C(=O)OCC	PC-id_56573958	430.456	ZTNBSDQVFGGDLW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135963
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324878856	430.458	CBMYXXATILQMTC-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-135964
COc1ccc(Cc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324925965	430.458	DIUMEHRHYUAWHM-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-135965
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4522867191	430.458	DIUMEHRHYUAWHM-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-135966
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1ccc(cc1)OCC	MCULE-4910462563	430.458	CBMYXXATILQMTC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-135967
Cc1ccc(c2cc(Nc3cc(O)cc(O)c3C(=O)N3Cc4cn[nH]c4C3)n(C)n2)cc1	CHEMBL4472881,PC-id_155268869	430.459	VDFIECYFKHNTPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135968
Cc1ccccc1c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(C)n1	PC-id_155268919,CHEMBL4518609	430.459	ICFYCVLTKVCKTK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135969
O=C(Nc1n[nH]c2c1CN(C2)C(=O)c1ccccn1)Cc1ccc(cc1)C1CCNC1=O	PC-id_141251785	430.459	MWRJCBBDKBOFHF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-135970
O(C(=O)c1n(C(C)C)c(NN=C2C(=Nn3c2nnc3C)C(C)(C)C)nc1C(=O)OC)C	PC-id_59703013	430.461	PVADKGYAJPRGPR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-135971
Nc1nccc(n1)Nc1cc(C#CC2(O)CCn3c2ncc3)ccc1C(=N)C(=O)N(C)C	PC-id_144440077	430.462	PDFBHZMNZGUTLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135972
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)C(C)(C)C)NC(=O)c1ccc(cc1)F	SCHEMBL3457017,PC-id_68649346	430.473	QPZUBVDWQYTWHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135973
CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	MCULE-2216532253,CoCoCo_3003365,PC-id_4843222,ZINC22_9120149,EMOLS-id_3379521	430.474	ZBCQJMMUOPQUBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135974
COc1cccc(c1OC)C=CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-4008959078,PC-id_4291899,EMOLS-id_26043386	430.474	DXIVZYXTTYGXNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135975
COc1cccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1OC	ZINC22_3284625,CoCoCo_2985971,PC-id_2400159,CoCoCo_2985970	430.474	DXIVZYXTTYGXNB-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135976
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)C)ccc1)C(=O)OCC	PC-id_16531088	430.474	XFEXARRFZDSAMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135977
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)N	PC-id_3916838	430.474	YHOBEYGGKKTPJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135978
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)N	PC-id_5956737	430.474	YHOBEYGGKKTPJW-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135979
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)ccc(OC)c1)C(=O)N	PC-id_45678821	430.474	PDXJLWYCNZBOPP-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135980
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)ccc(OC)c1)C(=O)N	PC-id_77670909	430.474	PDXJLWYCNZBOPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135981
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)cc(OC)cc1)C(=O)N	PC-id_5091886	430.474	BWZAVWPICAXMTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135982
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)cc(OC)cc1)C(=O)N	PC-id_6268053	430.474	BWZAVWPICAXMTE-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135983
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1ccc(cc1)C(=O)C)C(=O)N	PC-id_31655147	430.474	UTERUHJNAAWSJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135984
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(cc1)C)C(=O)OC	PC-id_45699352	430.474	QZQAHZQFHAOKCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135985
CN1C(=CC(=NS1(=O)=O)c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_2302382,EMOLS-id_16141309,MCULE-4996898242,TIMTEC565442,PC-id_17253717,ZINC22_15673443	430.476	YCPBHOWXIPEWFQ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-135986
C(=O)(c1ccc(cc1)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1)CCO	GD-id_ZINC45392086,CHEMBL604714,PC-id_46228531,BindingDB_PC-id_46228531	430.476	BOYUIYWAXWEOCT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135987
COC(=O)CC1COCCN1S(=O)(=O)n1nc2c(c1)CN(C2)C(=O)OC(C)(C)C	PC-id_141764692	430.476	AWNGYPZWVXMCRY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-135988
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N[C@@H]([C@H](CC)C)C(=O)N)(C)C)cc1	PC-id_10365388	430.476	ORRUBIQPCYOFIK-NHYWBVRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135989
Fc1cc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCN(CC2)CCO)(C)C)ccc1	PC-id_10342647	430.476	RPVZEDQPHLLPHX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-135990
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)C(=O)c1ccccc1)C#N	PC-id_16503236	430.476	ATORGXBNOGLRMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135991
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(C(=O)c2ccccc2)cccc1)C#N	PC-id_1679898	430.476	ZJQUSZCYACQXHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-135992
c1(NC(=O)CCc2onc(c3cc(OC)c(c(OC)c3)OC)n2)sc2c(CCC2)n1	MCULE-8623688451,EMOLS-id_323250599	430.477	JNZZGPXUGSBLOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-135993
c1(NC(=O)COc2cccnc2NC(=O)OC(C)COC)sc2c(CCC2)c1C#N	EMOLS-id_321796646,MCULE-2670794929	430.477	KOCWIFCKPMVKJE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135994
c1(NC(=O)COc2cccnc2NC(=O)OCCCOC)sc2c(CCC2)c1C#N	MCULE-2664748924,EMOLS-id_321795111	430.477	DHAKCZPCVFKHQN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135995
c1(NC(=O)COc2cccnc2NC(=O)OCCOCC)sc2c(CCC2)c1C#N	MCULE-7138402719,EMOLS-id_321797413	430.477	GRWYHUACGYWZRQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-135996
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)c1ccccn1	SCHEMBL14055437,PC-id_89236899	430.477	UBAJJRMUVOBHFM-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-135997
COc1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324904457	430.477	MSMWRSYRBUBJTM-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-135998
COc1ccc(cc1OC)CN1C(=O)N[C@H](C1=O)CC(=O)Nc1sc2c(n1)CCC2	ZINC22_96117654,STOCK7S-42846,PC-id_71828619,EMOLS-id_48567498,MCULE-1729631107	430.477	KIPQEMMEZYVISJ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-135999
COc1ccc(CN2C(=NC(CC(=O)/N=c/[nH]c4CCCc4s3)C2=O)O)cc1OC	PC-id_86207673,MCULE-1993918214,EMOLS-id_50404114	430.477	KIPQEMMEZYVISJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-136000
COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1OC	ZINC22_223240704,PC-id_100216476	430.477	KIPQEMMEZYVISJ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136001
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CCC1CCCCC1	MCULE-3442796315	430.477	MSMWRSYRBUBJTM-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-136002
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N2CCOCC2)nccc1)C(=O)N	PC-id_55569360	430.477	YTCOWOFAHFTXGM-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-136003
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)c1cccs1	SCHEMBL2919975,PC-id_68441138	430.479	HCWJIZIDZPJCNH-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-136004
OCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC2(C)CN2CC1C)F	PC-id_143732556	430.479	VGPLYQREKUKFMC-UHFFFAOYSA-N	00100010100010100001010010000000000000000000000000000000	25-01-136005
s1cc(C(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1	PC-id_10224619	430.479	PXVWSFGIALCMGQ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-136006
c1(NC(=O)COc2nonc2CC(=O)N2CCN(C)CC2)sc2CCCc2c1C#N	MCULE-1906342547,EMOLS-id_333692710	430.481	HSUSZFKEUAQHPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136007
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)CC)sc2CCCc2c1C#N	EMOLS-id_333660875,MCULE-1134997488	430.481	GKTWWSZMBDOKDP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136008
CCCCn1c(C)c2c(c1C)C(=O)N(CN1CCN(c3ccc(F)cc3F)CC1)C2=O	CHEMBL4471677	430.491	XVUWDBNBKRUKIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136009
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)F)C(=O)O	SCHEMBL20340249,PC-id_135188093	430.492	RWZFXCOJUHVCGU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136010
NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)sc2c1CCC2	EMOLS-id_3267471,MCULE-6892180855,CoCoCo_2945557,ZINC22_2651314,PC-id_2114570	430.492	YOLZLBITHQHCEG-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-136011
s1c2CCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1c(F)cc(cc1)C(=O)C	PC-id_24567548	430.492	FDBMWURCVLMWPH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136012
CCOC(=O)C(Cc1ccccc1)NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc12	CHEMBL459097,PC-id_44581856	430.496	KFTJUHRBTZLHBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136013
O=C(N[C@@H](Cc1ccccc1)C(=O)OCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_25148349	430.496	KFTJUHRBTZLHBL-LBAQZLPGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136014
CC[N+]1(c2c(C(=N1)NC(=O)c1ccc(cc1)C(C)(C)C)sc(c2)C(=O)OC)C(=O)O	PC-id_91140407	430.497	LQJOJFACJMLJAJ-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-136015
s1c2CCCc2cc1C(=O)NNC(=O)c1occc1CS(=O)(=O)c1ccccc1	PC-id_29953950	430.497	ONHRSCPBTXHCOQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-136016
s1c2CCCc2cc1C(=O)NNC(=O)c1oc(CS(=O)(=O)c2ccccc2)cc1	PC-id_27684317	430.497	ZPKCRWRLELLUJY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-136017
COc1ccc(cc1)C1(CC1)C(=O)N[C@@H]1Cn2c(C1)cc(n2)C(=O)NCc1ccccc1	EMOLS-id_316332337,MCULE-8608593366	430.499	QOTCVZNWWUIYBJ-IBGZPJMESA-N	00100010100000110001100010000000000000000000000000000000	25-01-136018
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)c1ccc(cc1)N(=O)=O	MCULE-7855979695,EMOLS-id_328335515	430.499	IBEIZFWQWFSUEU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136019
c1(C(=O)N[C@H]2Cc3n(ncc3C(=O)NCCOC)C2)noc(C)c1CN1CCCCC1	MCULE-6813236149,EMOLS-id_316322613	430.501	QZTFUEQGLGMCRL-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136020
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NCCOC)c3)C2)noc(C)c1CN1CCCCC1	MCULE-6527317663,EMOLS-id_316333887	430.501	JOFXKFWOFYZNMZ-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136021
c1(NC(=O)CSc2nnc(c3cccnc3)o2)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AF-399/42878270,CoCoCo_5029086,ZINC22_2082591,MCULE-7314757737,PC-id_1741759,ChEMBL-DNDi_CHEMBL1610122,EMOLS-id_5486748	430.501	KXCLKVZWEIVGLB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-136022
c1(NC(=O)CSc2nnc(c3ccncc3)o2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1464915,MS2_ST056909,PC-id_1947202,TOSLab_17051,CoCoCo_333184,BAS-05228767,STOCK2S-93373,ZINC22_2332793,MCULE-5677807860	430.501	NIYHJKFNPHAIBV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-136023
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2C(=O)N)sc2c(CCC2)c1C#N	EMOLS-id_320717656,MCULE-9905317802	430.501	UADDPHHOOYIYFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136024
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1noc(c1CN1CCCCC1)C	MCULE-6714435200	430.501	QZTFUEQGLGMCRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136025
COCCNC(=O)c1nn2c(c1)CC(C2)NC(=O)c1noc(c1CN1CCCCC1)C	MCULE-9987167478	430.501	JOFXKFWOFYZNMZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136026
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCC)Cc1oc(nn1)c1occc1)C(=O)N	PC-id_41173494	430.501	CPBWAROELFGHFS-UHFFFAOYSA-O	00000010101000000001100010000000000000000000000000000000	25-01-136027
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(OC)cc1)C(=O)N	PC-id_18097490	430.501	NRNOIJGGHMCQNT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136028
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1sccn1	PC-id_16948083	430.501	QYWHSXYITKQCFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136029
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)c1ccccc1	PC-id_56944168	430.502	TXBJIOWQTZOEQT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136030
Cc1c(C2=NS(=O)(=O)N(C)C(=C2)C(=O)Nc2sc3c(c2C#N)CCC3)cnn1C	EMOLS-id_30551293,MCULE-2943660739,ZINC22_57742083,PC-id_46950733,ASN-13845651	430.504	UJJUJIGQCHKHFW-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-136031
C[C@@H](Sc1nnnn1c1ccc(O)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4177697,PC-id_41259071,ZINC22_9882758	430.504	WHGKBIKBKADPEG-SECBINFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136032
C[C@H](Sc1nnnn1c1ccc(O)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41259070,CoCoCo_4177698,ZINC22_9882756	430.504	WHGKBIKBKADPEG-VIFPVBQESA-N	00000010100000110001100010000000000000000000000000000000	25-01-136033
COc1ccccc1n1nnnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_27159988,GD-id_ZINC16485566	430.504	BAURKYXNAWJHLK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136034
COc1ccc(n2nnnc2SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	CoCoCo_3024092,GD-id_ZINC13141018,PC-id_4682356,ZINC22_13141018,MCULE-7036343796,EMOLS-id_3449587	430.504	ABHBKCYRSJKWFB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136035
Oc1ccc(cc1)n1nnnc1SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_16370359,MCULE-3709339240,EMOLS-id_11820493,SCHEMBL20936261	430.504	WHGKBIKBKADPEG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136036
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)Nc1ncccn1)C(=O)OCC	PC-id_49737142	430.504	FIVCGVNEACAGAT-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-136037
S1Cc2c(nn(c2NC(=O)CSc2ncccn2)CC(=O)NCc2occc2)C1	PC-id_44053245	430.504	DPSKNKLSZJGQPS-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-136038
Cc1nn2c(n1)C(=NNc1c(c(nn1c1ccccn1)C(C)(C)C)C#N)C(=N2)C(C)(C)C	PC-id_88961008	430.509	SHWLBBXATMTHFH-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-136039
n12N=C(C(C)(C)C)C(=NN=C3N(N=C(C(C)(C)C)C3=C=N)c3ncccc3)c1nc(n2)C	PC-id_72362440	430.509	QTBDTTRVPTUJLL-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-136040
n1(nc(C(C)(C)C)c([N+]#[C-])c1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)c1ncccc1	PC-id_59702930	430.509	VKBNUPXYLNORQW-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-136041
n1(nc(C(C)(C)C)c([N+]#[C-])c1N/N=C
/C(=Nn2nc(nc12)C)C(C)(C)C)c1ncccc1	PC-id_59702936	430.509	VKBNUPXYLNORQW-QQXSKIMKSA-N	00000011100000101001100010000000000000000000000000000000	25-01-136042
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332580,MCULE-7594162246	430.517	XBUTZSILQDGRPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136043
c1(NC(=O)c2ccccc2OC(=O)C)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-7398198524,PC-id_18883710	430.517	PGRXWUHZMARAIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136044
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334371,MCULE-2900480134	430.517	KRFJPIQAWYJHJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136045
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333604,MCULE-8611572359	430.517	JTTXNQMFNGJCRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136046
c1(NC(=O)C(C)Oc2ccc(cc2)O)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332069,MCULE-5634199996	430.517	XYTALXHVERUSEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136047
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_1478535,TIMTEC393858,CHEMBL1567482,PC-id_2937166,MCULE-2305725291,BAS-06261549,ChEMBL-DNDi_CHEMBL1567482	430.517	PZBAVFRGPOUBRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136048
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	TIMTEC393763,BAS-06261553,EMOLS-id_1478539,ChEMBL-DNDi_CHEMBL1456036,CHEMBL1456036,MCULE-9816313489,PC-id_2938887	430.517	PYYUTPNVRJKPSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136049
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334339234,MCULE-3872448912	430.517	LISYMLRMJFDHKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136050
Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_2653156,CoCoCo_2991309,EMOLS-id_3224558,MCULE-4451133921,PC-id_2116541	430.517	ZNYONOLEVLVBJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136051
CC1CCN(CC1)C(=O)C(OC(=O)c1c(sc2c1CCC2)NC(=O)c1ccco1)C	PC-id_42899976,EMOLS-id_23976811,MCULE-9023014593	430.517	IIWIKFBFRIYBPT-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-136052
CC1CCN(C(=O)[C@@H](C)OC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)CC1	CoCoCo_2889326,PC-id_41733675,ZINC22_10935834	430.517	IIWIKFBFRIYBPT-CQSZACIVSA-N	00000010101010000000000010000000000000000000000000000000	25-01-136053
CC1CCN(C(=O)[C@H](C)OC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)CC1	ZINC22_10935841,CoCoCo_2889327,PC-id_41733676	430.517	IIWIKFBFRIYBPT-AWEZNQCLSA-N	00000010101010000000000010000000000000000000000000000000	25-01-136054
CC(C)(C)c1ccc(OCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_5132130,EMOLS-id_3226589,ZINC22_9613303,MCULE-8034789457,CoCoCo_3004554	430.517	CPJWRBBBGFRNFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136055
CCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_24350699,GD-id_ZINC23513320	430.517	KRUQXEMSMUKSCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136056
CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)sc2CCCc12	EMOLS-id_328240170,MCULE-2603804735	430.517	CJTDJKZQXJQAMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136057
CCOC(=O)c1c(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_327977724,MCULE-4468048228	430.517	RWUVXJDNULRCPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136058
COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2	ZINC22_799047,CoCoCo_347117,PC-id_1083255	430.517	PYYUTPNVRJKPSI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136059
COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2	ZINC22_799048,PC-id_1083256,CoCoCo_347116	430.517	PYYUTPNVRJKPSI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136060
COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)cc1	PC-id_1083253,ZINC22_799045,CoCoCo_347113	430.517	PZBAVFRGPOUBRQ-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136061
COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc1	PC-id_1083254,ZINC22_799046,CoCoCo_347112	430.517	PZBAVFRGPOUBRQ-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136062
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCc1occc1	PC-id_41733134	430.517	QYNHSHALTOLDIW-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-136063
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(OCCCC)cc1)C)C(=O)N	PC-id_24495383	430.517	VSCJOXJWMJVLND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136064
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCCC(C)C)cc1)C(=O)N	PC-id_24331871	430.517	PXDWEJIPOVNEQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136065
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1cc(c(C(C)C)cc1)C)C(=O)N	PC-id_24379165	430.517	LJCWWAUVRNOFKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136066
c1(NC(=O)Cc2cccs2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	PC-id_30862830,CoCoCo_5277803,MCULE-1586255320,ZINC22_23139611,EMOLS-id_24913603	430.519	AQXMCPBKVIMINH-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-136067
C(=Cc1ccc(OC)c(OC)c1)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-8415644082	430.519	AZRQLFBQTFOSHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136068
C[C@@H](Sc1nccn1c1cccc(F)c1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4181543,PC-id_41260345,ZINC22_9885188	430.519	RRJPGNQBBYAOSV-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136069
C[C@H](Sc1nccn1c1cccc(F)c1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9885187,CoCoCo_4181544,PC-id_41260344	430.519	RRJPGNQBBYAOSV-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-136070
COc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C#N)c2ccccc2)cc1OC	EMOLS-id_327820695	430.519	AZRQLFBQTFOSHR-CPNJWEJPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136071
Fc1cccc(c1)n1ccnc1SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_11825094,PC-id_16372697,SCHEMBL21045561,MCULE-2382093056	430.519	RRJPGNQBBYAOSV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136072
s1c2c(CCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(F)cc1)C(=O)OC	PC-id_19677215	430.519	DYFPGYIKWHYJIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136073
s1c2c(CCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(F)cccc1)C(=O)OC	PC-id_20168615	430.519	RGWCMXDKLNQRQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136074
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cc1)C(=O)OC	PC-id_20166526	430.519	NRDAKZZKRUITIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136075
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cc1)C(=O)OC	PC-id_20168732	430.519	YEVMLJIJMNUDGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136076
CCOC(=O)c1c(c2c(s1)[S+]=C(C2=NC=Nc1cccc(c1)C)C(=O)OCC)N	PC-id_137295086	430.52	ADCKVGKKZAJXQY-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-136077
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C)C2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	BindingDB-id_129254,EMOLS-id_5531019,MCULE-9590840605,BindingDB_PC-id_18562027,PC-id_18562027	430.521	DCSNSSYHGUZXOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136078
c1(NC(=O)C2CC(=O)N(CCc3ccc(c(OC)c3)OC)C2)n(C)nc2CSCc12	EMOLS-id_334563259,MCULE-9429363463	430.521	PLGLBFBRCHREKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136079
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCO)sc2CCCc2c1C#N	MCULE-6982412942,EMOLS-id_331931154	430.521	ADHXUKXAPITRIA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-136080
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CC(C)O)sc2CCCc2c1C#N	MCULE-6995628254,EMOLS-id_331924253	430.521	AOPDXGLRBPQLPO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-136081
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCOC)sc2CCCc2c1C#N	EMOLS-id_331922454,MCULE-4777541953	430.521	MYWGEBZOZIQEPA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-136082
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CC)sc2CCCc2c1C#N	EMOLS-id_331923479,MCULE-1063941416	430.521	SHDQSPUJJQEZRT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-136083
Cc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1	PC-id_41106006,CoCoCo_5065659,ZINC22_9517992	430.521	DCSNSSYHGUZXOA-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136084
Cc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1	ZINC22_9517993,PC-id_41106007,CoCoCo_5065658	430.521	DCSNSSYHGUZXOA-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136085
COc1ccc(c(c1)C(=O)NCc1nc2n(c1)CCS2)OC1CCN(CC1)C(=O)C	CoCoCo_1117924,PC-id_42094617	430.521	VQFASAQETMDZHN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136086
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)NCc1occc1)C(=O)N	PC-id_56277944	430.521	NAKARZQYIRQCKL-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-136087
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)c1oc(cc1)C)C)C(=O)N	PC-id_56383466	430.521	DPYXEPWAFGFAPD-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-136088
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1nc(ccc1)C)C)C(=O)OCC	PC-id_56415124	430.521	UXDKMBBFYAYDTM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-136089
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1ccc(OCC)cc1	PC-id_44053137	430.521	WDALYALUMUGZLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136090
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1c(OCC)cccc1	PC-id_44053136	430.521	XBXINVNDSHDEBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136091
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)Cc1ccc(OC)cc1	PC-id_44053181	430.521	ZSVZTUVKSZSSKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136092
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)C(Oc1ccccc1)C	PC-id_44053173	430.521	NYHMODUCTHZOFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136093
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)COc1c(cccc1)C	PC-id_44053176	430.521	RCGJXGJMYPZTCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136094
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)COc1cc(ccc1)C	PC-id_44053177	430.521	JTDYESXUWQKXPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136095
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)COc1ccc(cc1)C	PC-id_44053178	430.521	PRVDFXNFILZVST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136096
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)cc2)CC(=O)NCCC)C1	PC-id_44052906	430.521	BGTQDFZDKRTUAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136097
S1Cc2c(nn(c2NC(=O)CCC(=O)OCC)CC(=O)NCCc2ccccc2)C1	PC-id_44053895	430.521	KTNKCGKBAOTYCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136098
CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1	SCHEMBL7012904,PC-id_59333923,BindingDB-id_546054,BindingDB_PC-id_59333923	430.522	KUYINOAQXYFSBK-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136099
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F)(C)C	PC-id_25155478,SCHEMBL3327770	430.522	KHVXVEAQTZXJAO-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136100
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F	PC-id_59334018,SCHEMBL3326992	430.522	HTWLBTYSQIVFPM-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136101
Fc1c(Nc2nn(c3C(NCc23)(C)C)C(=O)N2C(CN(C(C2)C)C)C)nc(nc1)CC	PC-id_77528894	430.522	UHCPYLVOYLTLFQ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136102
Fc1c(Nc2nn(c3C(NCc23)(C)C)C(=O)N2[C@H](CN([C@@H](C2)C)C)C)nc(nc1)CC	PC-id_68597442	430.522	UHCPYLVOYLTLFQ-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136103
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(C(C2)C)C)C)(C)C)nc(nc1)CC	PC-id_72257722	430.522	KUYINOAQXYFSBK-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136104
N#Cc1c(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)sc2c1CCC2	ZINC22_9614235,MCULE-2393929787,EMOLS-id_11814514,PC-id_16366108,CoCoCo_3846248	430.522	URRBAGYKDLRTFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136105
s1c(C(=O)NCc2n3CCCc3nn2)c(OCc2ccccc2)cc1c1ccccc1	PC-id_52687994	430.522	FGFOHTQPOYBKIM-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-136106
S(=O)(=O)(O)CCSc1nc(sn1)N/N=C
/C(=Nn2c1nnc2C)C(C)(C)C	PC-id_59071046	430.529	KJUXUIOCPQQUKN-PXNMLYILSA-N	00000011100000000001000010000000000000000000000000000000	25-01-136107
S(=O)(=O)(O)CCSc1nc(sn1)NN=C1C(=Nn2c1nnc2C)C(C)(C)C	PC-id_72506944	430.529	KJUXUIOCPQQUKN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-136108
c1(NC(=O)CC2CCCCC2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	EMOLS-id_24913617,ZINC22_23139631,PC-id_30862850,MCULE-5982416173,CoCoCo_5277811	430.539	ZKOCDIPWBYSFOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136109
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1c(F)cccc1)C)C(=O)N	PC-id_46631443	430.539	PXPYQFRUVZAXPX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136110
S1Cc2c(NC(=O)CCC3CCCC3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053665	430.539	UUBHXAJRAXWDGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136111
c1(NC(=O)CS(=O)Cc2ccc(cc2)C(=O)OC(C)C)sc2c(CCC2)c1C#N	MCULE-4294112416,EMOLS-id_320679787	430.54	GSKZINUCRZXVHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136112
c1(NC(=O)CS(=O)C(CCc2ccc(cc2)C)C(=O)O)sc2c(CCC2)c1C#N	MCULE-6843868555,EMOLS-id_320646392	430.54	JOYKQUWUENLJJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136113
c1(NC(=O)CS(=O)C(CC)C(=O)OCc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320679018,MCULE-4237961581	430.54	LCLIEOIRIHZHRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136114
c1(NC(=O)CS(=O)CC(=O)OCCCc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320676459,MCULE-7018708831	430.54	LUPQOAPYZJNVFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136115
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)Cc1ccc(cc1)C(=O)OCCC	EMOLS-id_186605594,MCULE-2337641135	430.54	MGNFQFGDCZXCBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136116
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)Cc1cc(C(=O)OCCC)ccc1	MCULE-1132977552,EMOLS-id_186610419	430.54	YXVZBLYVHGFANE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136117
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)Cc1cc(C(=O)OC(C)C)ccc1	MCULE-4030250956,EMOLS-id_186609456	430.54	VZLWZWXGAXMXME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136118
s1c2c(CCC2)c(c1NC(=O)CNc1c([NH+]2CCC(O)CC2)cccc1)C(=O)OC	PC-id_52704915	430.54	IPKMEWQJQISPGG-UHFFFAOYSA-O	00000010100010110000100010000000000000000000000000000000	25-01-136119
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCC1)c1c(OC)ccc(OC)c1)C(=O)N	PC-id_74756235	430.54	RFKMAIFCZPGMLH-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-136120
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCC1)c1c(OC)cc(OC)cc1)C(=O)N	PC-id_74750859	430.54	SKQUHVJGKUMVBI-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-136121
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_25769723	430.54	QXBMLSHVQSJXGR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-136122
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)c1c(OC)ccc(OC)c1)C(=O)N	PC-id_41292103	430.54	RFKMAIFCZPGMLH-INIZCTEOSA-O	00000010100000110000100010000000000000000000000000000000	25-01-136123
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)c1c(OC)ccc(OC)c1)C(=O)N	PC-id_41292107	430.54	RFKMAIFCZPGMLH-MRXNPFEDSA-O	00000010100000110000100010000000000000000000000000000000	25-01-136124
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)c1c(OC)cc(OC)cc1)C(=O)N	PC-id_41173507	430.54	SKQUHVJGKUMVBI-INIZCTEOSA-O	00000010100000110000100010000000000000000000000000000000	25-01-136125
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)c1c(OC)cc(OC)cc1)C(=O)N	PC-id_41173510	430.54	SKQUHVJGKUMVBI-MRXNPFEDSA-O	00000010100000110000100010000000000000000000000000000000	25-01-136126
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC)CC)C(=O)Nc1c(cccc1)C(=O)OC	PC-id_2296516	430.54	NHDMOPJRQRZZLL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-136127
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1ccc(OCC)cc1)C(=O)OC	PC-id_17227373	430.54	DONSCJDBMDZMAD-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136128
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1ccc(OCC)cc1)C(=O)OC	PC-id_73375673	430.54	DONSCJDBMDZMAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136129
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1c(OC)cccc1)C(=O)OCC	PC-id_4023449	430.54	UAWSNIUNHDHPDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136130
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1c(OC)cccc1)C(=O)OCC	PC-id_5989845	430.54	UAWSNIUNHDHPDO-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136131
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1cc(cc(C)n1)Cc1ccccc1OC	MCULE-4050814404,EMOLS-id_162021,BDD-26205739,PC-id_110252645	430.542	JGKOCYAMRCXXLF-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136132
c1(C(=O)N2CCC(CC2)c2cc(cc(C)n2)Cc2ccccc2OC)c2CCCc2[nH]n1	BDE-25461711,PC-id_92616882,EMOLS-id_194031,ZINC22_19691573,MCULE-7272006543	430.542	STOJPABXIARVEJ-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136133
Cc1cc(c(c(c1)C)C(c1ccccc1)N1CCN(CC1)C(=O)c1nn2CCOc2c1)C	PC-id_91959831	430.542	NNCDGFOJFBYWLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136134
COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	PC-id_95814287,ZINC22_72354010	430.542	JGKOCYAMRCXXLF-HXUWFJFHSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136135
COc1ccccc1Cc1cc(C)nc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1	PC-id_95814288,ZINC22_72354011	430.542	JGKOCYAMRCXXLF-FQEVSTJZSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136136
O=C(c1ccccc1)NC(c1[nH]nc2c1CN(C2(C)C)C(=O)Cc1ccccc1)C(C)C	SCHEMBL2917666,PC-id_68440390	430.542	VYEWBXJUNNIJMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136137
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(C)(C)C)Cc1ccccc1	PC-id_68440388,SCHEMBL2917662	430.542	JLCAZMSEXSTQQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136138
COCCOCCCNC(=NCc1nnc2n1CCC2)Nc1ccc(cc1)OC(C)C	PC-id_111860248	430.544	JYOJLDNYLHJWLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136139
N#Cc1c(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)sc2c1CCC2	CoCoCo_3686476,MCULE-6304379550,PC-id_16349622,ZINC22_9604361,EMOLS-id_11794469	430.544	QITCPJBXVRYVCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136140
O=C(CN1CCN(CC1)S(=O)(=O)c1ccccc1)Nc1sc2CCCc2c1C#N	MCULE-7417707841,EMOLS-id_321734701,PC-id_4034350	430.544	UNQRITFTCNENRL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136141
O=C(O[C@@H]1CCn2c1ncc2)NCCCCCCCCNCO[C@@H]1CCn2c1ncc2	SCHEMBL19223346	430.544	UEGFMVFTGWDTFJ-RTBURBONSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136142
c1(c2CCCc2sc1NC(=O)C1CC(=C(CC1C(=O)O)C)C)C(=O)NC1CCCC1	PC-id_17377062,TIMTEC70177,EMOLS-id_4115530,MCULE-3673215588	430.56	BCBBDAMMUJMBBE-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136143
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386975,MCULE-5083858473	430.56	QBGYDGZHTXCPAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136144
c1(NC(=O)c2cccc(c2)OCC(C)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389022,MCULE-9583433591	430.56	NHFXCEGOGNFHMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136145
c1(NC(=O)CCc2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)N	MCULE-4343401767,PC-id_2071805	430.56	VHAMNZBSTQVKBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136146
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386969,MCULE-5326975650	430.56	YIWSNXNHNDTTFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136147
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2074627260,EMOLS-id_334389017	430.56	OUPRUROVWLHLFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136148
c1(NC(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6739754298,EMOLS-id_334386717	430.56	ONODAHBSYHVUNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136149
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6009095378,EMOLS-id_334385177	430.56	RQDHFAIDBCXFGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136150
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8571629265,EMOLS-id_334385689	430.56	XUWAUWWTXZWLRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136151
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCC3)[C@@H](C(=O)O)C1	CoCoCo_6831996,PC-id_27526834,ZINC22_17097120	430.56	BCBBDAMMUJMBBE-SJORKVTESA-N	00000010100011000000000010000000000000000000000000000000	25-01-136152
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCC3)[C@H](C(=O)O)C1	CoCoCo_6831997,ZINC22_17097122,PC-id_27526838	430.56	BCBBDAMMUJMBBE-IAGOWNOFSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136153
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCC3)[C@@H](C(=O)O)C1	PC-id_27526836,ZINC22_17097121,CoCoCo_6831994	430.56	BCBBDAMMUJMBBE-IRXDYDNUSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136154
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCC3)C1	PC-id_27526840,ZINC22_17097123,CoCoCo_6831995	430.56	BCBBDAMMUJMBBE-DLBZAZTESA-N	00000010100011000000000010000000000000000000000000000000	25-01-136155
CCOC(=O)CC1CCc2c1c(c([nH]2)C)Cc1ccc(cc1)S(=O)(=O)N1CCCC1	PC-id_90916686	430.56	SAYPEEZQHBRANP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136156
CCOC(=O)Cn1c(C)c(c2c1CCC2)Cc1ccc(cc1)S(=O)(=O)N1CCCC1	PC-id_45255439,SCHEMBL3372366	430.56	KTPYRBXNZONGEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136157
COCCCN(C1CCS(=O)(=O)C1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328339356,MCULE-7388888293	430.56	GHSSPOWYIKAQOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136158
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6896480234	430.562	YKZQVZJIZBODJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136159
Cc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334331813	430.562	YKZQVZJIZBODJR-CCEZHUSRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136160
CC(=O)Nc1ccc(c(c1)C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110075	430.564	PXDIDBFLJLCKBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136161
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1nn(C)c2CCCc12)C1CCCC1	MCULE-1884435829,PC-id_86266578,EMOLS-id_50145324	430.564	XFCVDMLLBAONKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136162
S(=O)(=O)(N(C1CCCCC1)CC)c1ccc(cc1)C(=O)Nc1n(nc2c1CCC2)C	PC-id_45536355	430.564	YDESOXOFDJJMAK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136163
CC1(c2c(CN1C(=O)Nc1ccccn1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195443,SCHEMBL20348575	430.567	GIXSIBCRNQBKPU-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-136164
CC1(c2c(CN1C(=O)Nc1cnccc1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195374,SCHEMBL20348499	430.567	KAEMPOLZQXMUCS-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-136165
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)Cc1scc(n1)C)C#N	PC-id_40880704	430.567	STLPZWACANYWSM-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-136166
n1(c(nnc1SCC(=O)Nc1sc2CCCc2c1C#N)CCc1cccs1)N	MCULE-1456102500,EMOLS-id_335794593	430.57	CQRQZYGWTSKSEC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-136167
c1(NC(=O)CS(=O)CCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320643572,MCULE-6485450323	430.583	PIUBLRIXAFCEIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136168
c1(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_19166976,MCULE-9060766607	430.583	GEUIDYPXPFLTKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136169
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCC)CCC)C(=O)Nc1ccc(OC)cc1	PC-id_7279760	430.583	MDMVKYNKHGUHBE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-136170
N#Cc1c(NC(=O)CSc2nn(c3ccccc3)c(=S)s2)sc2c1CCC2	CoCoCo_3088404,MCULE-3225243024,EMOLS-id_43777416,PC-id_16361936,ZINC22_12569373	430.59	ZLARDNITMJFEOF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136171
OC[C@H](COc1c(C)cc(cc1C)CCC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C)O	PC-id_143172008	430.6	NLZXKXBWAKAARC-VQTJNVASSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136172
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)CN1CC(OC(C1)C)C)C#N	PC-id_56526894	430.607	ODDHUMYXFSOVBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136173
CCCCN(c1ccc(s1)/N=C/1c2nnc(n2N=C1C(C)(C)C)C(CO)(C)C)CC	SCHEMBL13422172,PC-id_58856831	430.61	KZGCVKRSMIWDDV-QJOMJCCJSA-N	00000011100100000001000010000000000000000000000000000000	25-01-136174
s1c(N=C2C(=Nn3c(nnc23)C(CO)(C)C)C(C)(C)C)ccc1N(CCCC)CC	PC-id_70901126	430.61	KZGCVKRSMIWDDV-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-136175
s1c2c(CCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)CC)C(=O)OC	PC-id_19675612	430.626	TVCLFZFQFZBNIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136176
C=CCOc1c(cc(cc1[Si](C1C(=Cc2c1sc(c2)C)C)(C)C)C)c1ccccc1	SCHEMBL2916653,PC-id_21880902	430.677	APQADBHNBRCWSM-UHFFFAOYSA-N	00000011100000110000100010000000000000000000000000000000	25-01-136177
CCCCCCCCCCCCCCCCCC(=O)Nc1sc2CCCc2c1C#N	MCULE-6818376958,EMOLS-id_327989137	430.689	YBCXHEZSZKRDTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136178
Clc1c(ncc(Cl)c1Cl)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16508985	430.693	UOYCTKQLUGJPQZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-136179
Brc1cc(C(=O)Nc2n(nc3c2C[S@@](=O)C3)C(C)(C)C)c(Cl)cc1	CoCoCo_4985460,PC-id_41060122	430.747	MOSGXVHMXAQAEN-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-136180
Brc1cc(C(=O)Nc2n(nc3c2CS(=O)C3)C(C)(C)C)c(Cl)cc1	PC-id_2160414	430.747	MOSGXVHMXAQAEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136181
Brc1cc(C(=O)Nc2n(nc3c2C[S@](=O)C3)C(C)(C)C)c(Cl)cc1	PC-id_41060121,CoCoCo_4985459	430.747	MOSGXVHMXAQAEN-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136182
c1(NC(=O)CCCOc2ccc(cc2Br)Cl)n(C)nc2CSCc12	EMOLS-id_334563517,MCULE-8389768227	430.747	MBXBNXFUPHPRIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136183
c1(NC(=O)CCCOc2ccc(cc2Cl)Br)n(C)nc2CSCc12	MCULE-8426093709,EMOLS-id_334561725	430.747	CZMYWDFRCUDTCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136184
Clc1cc(C(C2(n3c(NC2=O)ncc3)C)c2ccc(cc2)C#N)cc(c1)C(F)(F)F	PC-id_77492533	430.81	MFISNJYWWCAEMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136185
Clc1cc(C([C@]2(n3c(NC2=O)ncc3)C)c2ccc(cc2)C#N)cc(c1)C(F)(F)F	SCHEMBL12802531,PC-id_68379093	430.81	MFISNJYWWCAEMO-UUSAFJCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136186
Clc1cc([C@H](C2(n3c(NC2=O)ncc3)C)c2ccc(cc2)C#N)cc(c1)C(F)(F)F	SCHEMBL12802532,PC-id_68379094	430.81	MFISNJYWWCAEMO-DIAVIDTQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136187
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O	MCULE-8133613661	430.84	QMOOBCBRKBVBSA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136188
O=C(COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O)Nc1ccc(F)cc1	ZINC22_47154584	430.84	QMOOBCBRKBVBSA-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136189
CC(C)(C)NC(=O)C(=O)c1c2CCCn2c(c1Cl)C(=O)Nc1cc(c(cc1)F)C#N	PC-id_134285096,SCHEMBL19900792	430.86	VRWVZVRUQDBPQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136190
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)Cl)NC(=O)C1CC1c1ccccc1	SCHEMBL1204657,PC-id_87212152	430.885	IPQQODYBTKDEJQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-136191
CCOC(=O)n1nc2c(c1NC(=O)[C@@H]1CC1c1ccccc1)CN(C2(C)C)C(=O)Cl	PC-id_143492414	430.885	IPQQODYBTKDEJQ-ARLHGKGLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-136192
CCOC(=O)n1nc2c(c1NC(=O)[C@@H]1C[C@H]1c1ccccc1)CN(C2(C)C)C(=O)Cl	PC-id_58015629,SCHEMBL1204655	430.885	IPQQODYBTKDEJQ-UONOGXRCSA-N	00100010100000110001100010000000000000000000000000000000	25-01-136193
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339238,MCULE-2025254971	430.905	HPIYDDBBUJHSII-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-136194
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_1042643,TIMTEC539475,ZINC22_715552,CoCoCo_905180,MCULE-9346399791,SPECS-id_AF-399/37112035,EMOLS-id_2200946	430.905	WZQWSCBGKXQQQH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136195
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3921211544,EMOLS-id_334338223	430.905	PJUHTPJGWOYVKR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-136196
c1(NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	SPECS-id_AS-871/43475140,PC-id_17012863,EMOLS-id_10105772,MCULE-5803935210,CoCoCo_6330169,ZINC22_27663425,TIMTEC315514	430.905	MPPQSDCUGVYERM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-136197
c1(NC(=O)Cc2ccccc2Cl)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862607,MCULE-4201643211,CoCoCo_5277709,ZINC22_23139340,EMOLS-id_24913441	430.908	AMLKIBGKMCDVAK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-136198
Cc1ccc(C(=O)c2c(NS(=O)(=O)c3cnc(Cl)c(C)c3)nc3n2CCC3)cc1	MCULE-8086695409,ZINC22_170595634,PC-id_86792162	430.908	HVHMRZRJDWQHHL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-136199
Clc1ccc(C2NNC(C2)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_74773702	430.908	YNBMDZDWQOLBIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136200
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc1	PC-id_44053309	430.908	OSNFQYLYGSKNCM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-136201
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(CCC(=O)Nc2ccc(c(Cl)c2)OC)C1	EMOLS-id_20745051,PC-id_45251739,MCULE-9650958086	430.928	PIJQHRVVZZTHBD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136202
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl	CoCoCo_1639980,ZINC22_15077213,CoCoCo_1639982	430.928	PIJQHRVVZZTHBD-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136203
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCOc1ccccc1)C(=O)OCC	PC-id_4681001	431.502	VISNNRXHCJTHNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136417
COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl	CoCoCo_1639981,ZINC22_15077215,CoCoCo_1639983	430.928	PIJQHRVVZZTHBD-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136204
Cc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n(n1)c1cccc(Cl)c1	EMOLS-id_328224636,MCULE-4610430920	430.929	LHRZRVLMPMZRFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136205
Cc1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n(n1)c1ccc(Cl)cc1	MCULE-7241755399,EMOLS-id_328220797	430.929	FSNPKFIIKWJOAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136206
Clc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(CC2)CN)(C)C)cc1	SCHEMBL3457920,PC-id_10071378	430.931	ZVTFMDQPIAPJKI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136207
Clc1c(C(=O)N(C2CCCCC2)C)ccc(NC(=O)NCc2n3CCCc3nn2)c1	PC-id_60486839	430.931	FHGAQIWFWDPWIV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136208
c1(c2ccccc2Cl)nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	PC-id_18279888,MCULE-4570320611,EMOLS-id_335796394	430.934	INFWHTCFVBNFPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136209
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9596980464	430.948	BQDDIFGLGXLWHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136210
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9967727277	430.948	QOWDGAVURWPGGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136211
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8062152734	430.948	BWQRWNRGNKRLRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136212
Clc1ccccc1/C=C/C(=O)Nc1sc2CCCc2c1C(=O)NCC1CCCO1	EMOLS-id_334334374	430.948	QOWDGAVURWPGGL-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136213
Clc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)c1	EMOLS-id_334335909	430.948	BWQRWNRGNKRLRZ-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136214
Clc1ccc(/C=CC(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334333350	430.948	BQDDIFGLGXLWHC-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136215
Clc1cc(NC(=O)CN(CC(=O)Nc2sc3CCCc3c2C#N)CC)c(cc1)C	PC-id_24427914	430.951	VIFSSQPAJVXUEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136216
Clc1ccc(c(c1)CC1CCn2c1c(CCNCc1ccccn1)n(c2=S)C)F	SCHEMBL21136117,PC-id_139293635	430.969	YTWVQTSUHOUSQH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-136217
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330797,MCULE-9429689091	430.971	BODRQADWOPBBEF-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-136218
Brc1c2n(CCC2C(=O)O)c(c1Br)C(=O)c1ccc(F)cc1	SCHEMBL11004737,PC-id_20405065	431.051	ZMKMUMYWHOXEEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136219
CC(CO)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_153257882	431.052	WUQBSHNMNCIGLA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-136220
C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NN=C(N3O)C4=CC=C(C=C4)O	PC-id_155097773	431.072	CGXBKJMBUJDKFK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136221
CCCCCCC1(Br)[Se]c2c(C1Br)csc2	SCHEMBL2063783,PC-id_87330437	431.088	VJNBPCSYIBPAGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136222
CCC1=CC=C(S1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872191	431.097	MEHYOMDXEZCSJD-QGZVFWFLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-136223
C=CCOc1c(cc(cc1C(C)(C)C)Cl)[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	PC-id_21880859,SCHEMBL2924792	431.106	PAWQNHCSTNGXQG-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-136224
CC1CCc2c1c(CBr)nn2Cc1ccccc1I	EMOLS-id_331033093,MCULE-5189531920	431.109	AHRHFJDXJUFPDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136225
CC1CCc2c1c(CBr)nn2Cc1cccc(I)c1	MCULE-7203153540,EMOLS-id_331032837	431.109	URPNXJGCPSPVDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136226
CC1CCc2c1c(CBr)nn2Cc1ccc(I)cc1	MCULE-4756788140,EMOLS-id_331032581	431.109	MUMVHIZVPFYMTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136227
CC1CCc2c1c(I)nn2Cc1ccc(Br)cc1C	MCULE-7493364999,EMOLS-id_330978298	431.109	HYRXJSGBJHWPON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136228
CC1CCc2c1c(I)nn2Cc1ccc(Br)c(C)c1	EMOLS-id_330978554,MCULE-3176958630	431.109	ZDIIRMCYMQTBCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136229
CC1CCc2c1c(I)nn2Cc1ccc(C)c(Br)c1	EMOLS-id_330979578,MCULE-6613381600	431.109	FJDZDNXXNMMMLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136230
CC1CCc2c1c(I)nn2Cc1cc(C)cc(Br)c1	EMOLS-id_330979834,MCULE-5460465260	431.109	RRCAOBGKLVOZOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136231
CC1CCc2c1c(I)nn2Cc1ccc(C)cc1Br	EMOLS-id_330981370,MCULE-2494656574	431.109	QZCFMGISJKLFQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136232
CC1CCc2c1c(I)nn2Cc1cccc(C)c1Br	MCULE-7940132912,EMOLS-id_330977787	431.109	HRKBSRUUFXTMGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136233
CC1CCc2c1c(I)nn2Cc1cc(C)ccc1Br	MCULE-8088303231,EMOLS-id_330977531	431.109	SKTTVJRIMLVQNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136234
CC1CCc2nn(Cc3ccc(Br)cc3C)c(I)c12	MCULE-2755923366,EMOLS-id_330962358	431.109	WPYZHPIANNKNNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136235
CC1CCc2nn(Cc3ccc(Br)c(C)c3)c(I)c12	MCULE-9051208910,EMOLS-id_330962614	431.109	OMTSSHFXSVGCAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136236
CC1CCc2nn(Cc3ccccc3I)c(CBr)c12	EMOLS-id_331012031,MCULE-6610069826	431.109	SFEQCMBXHDAOHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136237
CC1CCc2nn(Cc3ccc(C)c(Br)c3)c(I)c12	EMOLS-id_330963638,MCULE-7668302028	431.109	XVDGIEJGSDIHKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136238
CC1CCc2nn(Cc3cc(C)cc(Br)c3)c(I)c12	EMOLS-id_330963894,MCULE-8151364102	431.109	ZVXODNCZJOGZMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136239
CC1CCc2nn(Cc3ccc(C)cc3Br)c(I)c12	EMOLS-id_330961335,MCULE-9454848921	431.109	JHJZYJYKXZWPDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136240
CC1CCc2nn(Cc3cc(C)ccc3Br)c(I)c12	MCULE-5935663592,EMOLS-id_330961591	431.109	VNCCXIJIRBQSBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136241
CC1CCc2nn(Cc3cccc(C)c3Br)c(I)c12	MCULE-8207106985,EMOLS-id_330961847	431.109	GVEDFFWNMGXFOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136242
CC1CCc2nn(Cc3cccc(I)c3)c(CBr)c12	EMOLS-id_331011775,MCULE-8128344838	431.109	XTSDRRYBEQIZPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136243
CC1CCc2nn(Cc3ccc(I)cc3)c(CBr)c12	EMOLS-id_331011519,MCULE-2120144818	431.109	BRBGRMSNBSHCPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136244
C1C2=C(CN1C(=O)C3=CC=CC(=C3)COC4=CN=C(C=C4)C5=CC=NN5)OC(=N2)C(=O)O	PC-id_147471607	431.123	FBWRHTGPGDNJQF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-136245
CN1C2=C(CCC2)C(=N1)C(=O)CC34CC(C3)(C4)NC(=O)COC5=CC(=C(C=C5)Cl)F	PC-id_161584100	431.141	WRGPVBGGJJAERU-UHFFFAOYSA-N	00001010100000110001001010000000000000000000000000000000	25-01-136246
CC1=C(C(=NN1CC(F)F)C)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164931906	431.144	OHZHIXLHKYZRJM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136247
CC(=C(C=C)S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@@H](CO)C3=CC=CC=C3OC)C	PC-id_164872157	431.151	FUMPUCBUTSVOCL-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136248
CC(=C(C=C)S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3OC)C	PC-id_164872175	431.151	FUMPUCBUTSVOCL-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136249
CC1=C(N2CCCC2=C1C(=O)OC(C)(C)C)C(=O)C(=O)N[C@](C)(C(=O)N)C(F)(F)F	PC-id_149167055	431.167	WYHZABBUOKEHST-GOSISDBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136250
Brc1cc(CNCc2sc3c(CCC3)c2)cc(Br)c1OC	PC-id_61206663	431.185	ZRYKVRBKRQXHAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136251
Brc1c(OC)c(CNCc2sc3c(CCC3)c2)cc(Br)c1	PC-id_61206841	431.185	NJEFERNOYZLOCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136252
CCCNC(c1ncc(cc1Br)Br)c1sc2c(n1)CCC2	PC-id_104272629	431.189	UCUVYWZRYKWTBW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-136253
CC(NC(c1ncc(cc1Br)Br)c1sc2c(n1)CCC2)C	PC-id_104272643	431.189	ABPISHAEFVUVBE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-136254
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(c(Br)c2)C(F)(F)F)n1	MCULE-6959881548,EMOLS-id_330995967	431.247	SBLIFDNWOVZJCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136255
c1(C(=O)OCC)c2C(C)CCc2n(Cc2ccc(cc2Br)C(F)(F)F)n1	MCULE-6963610133,EMOLS-id_330997502	431.247	VITHLSNLWPHAEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136256
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(c(Br)c1)C(F)(F)F	MCULE-6299519794,EMOLS-id_330980794	431.247	GPDBQYFLZYBRPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136257
c1(C(=O)OCC)c2C(C)CCc2nn1Cc1ccc(cc1Br)C(F)(F)F	MCULE-1376440684,EMOLS-id_330978234	431.247	XRJFGSSWXPBQHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136258
c1(C(=O)OC)c2CCCc2sc1NC(=O)c1c(I)cnn1C	TIMTEC358412,EMOLS-id_4116059,ZINC22_2778211,MCULE-1854673615,PC-id_4769707	431.249	OLKZAGYZZVJSDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136259
O=C(NCc1nnc2n1CCC2)c1ccc(Oc2ccc(Br)cc2)c(F)c1	PC-id_56798701,ZINC22_71823359,MCULE-2700429492,EMOLS-id_37009001	431.258	DZIJCIHLGDKZTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136260
CC1=Nn2c(nc(n2)C(C)CNS(=O)(=O)C)C1=Nc1cc(c(c(c1)Cl)O)Cl	PC-id_136089211	431.297	KTEZSJAJMHTUMT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-136261
CC(CNS(=O)(=O)C)c1nn2c(n1)c(=Nc1cc(c(c(c1)Cl)O)Cl)c(=C)[nH]2	PC-id_136654993	431.297	IGCGZSZKEJOTSF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136262
Brc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_24347070	431.303	ACFLAACLGOUGTL-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136263
Brc1ccc(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_74263215	431.303	ACFLAACLGOUGTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136264
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1cccc(C)c1C	MCULE-4166815599	431.431	MQGBHONDOPYAKQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136302
Brc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3CCCc23)cc1	CoCoCo_1754281,MCULE-8160970826,ZINC22_970537,PC-id_1202864,EMOLS-id_2569796,ChEMBL-DNDi_CHEMBL3759-1272	431.303	RMQLAHBBJLFMCO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-136265
NC(=O)c1c(NC(=O)c2ccc(c3ccc(Br)cc3)o2)sc2c1CCC2	ZINC22_16429529,PC-id_4503992	431.303	UKEHIZOXVSMESL-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-136266
CC(CC(=O)c1c2CCCc2c(s1)C(=O)OC)(c1cc(c(c(c1)Cl)F)Cl)O	SCHEMBL15199019,PC-id_89759464	431.305	BGVNFZZFPIKQNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136267
Brc1ccc(cc1)c1ccc(=O)n(CC(=O)Nc2nc3CCCc3s2)n1	PC-id_52900140,STOCK7S-14077,ZINC22_61719725,EMOLS-id_46561052,MCULE-7898656173,EMOLS-id_35786769	431.306	HOXCZCKYGBOEKB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136268
Brc1cc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)c(OC)cc1	CoCoCo_3532725,MCULE-1483513857,EMOLS-id_16812473,PC-id_17544836	431.325	IXVQYUGIDADKKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136269
O=C(c1sc2c(c1)C(C(C2)(C)C)O)Nc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C	SCHEMBL9986362,PC-id_67996287	431.328	WRLPAQTZVUOVTR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136270
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1)Cl	PC-id_2166900,EMOLS-id_1231065,BAS-00486939,ChEMBL-DNDi_CHEMBL2169-0048,ZINC22_2756140,CoCoCo_81799,MCULE-5419449941	431.335	SXIYTKVYNJWJDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136271
CN=C(NCc1nnc2n1CCC2)NCC1(CCCC1)c1ccc(cc1)Br	PC-id_111791774	431.373	OJQGBHDULYKYLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136272
O1[C@@H](OC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H](O)C1C(=O)O	PC-id_10252161	431.393	OAKSFFKSMVSYJD-FXMBYWEASA-N	00000010100010110000000010000000000000000000000000000000	25-01-136273
O1[C@H](OC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)[C@H](O)[C@H](O)[C@@H](O)C1C(=O)O	PC-id_46782031	431.393	OAKSFFKSMVSYJD-AHNUNOHJSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136274
O1[C@H](OC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1C(=O)O	PC-id_71749698	431.393	OAKSFFKSMVSYJD-JRVQSNPHSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136275
O1C(OC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)C(O)C(O)C(O)C1C(=O)O	PC-id_75213004	431.393	OAKSFFKSMVSYJD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136276
O=C([C@H]1CCn2c1ccc2C(=O)c1ccccc1)O[C@H]1O[C@@H](C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	PC-id_93977449	431.393	OAKSFFKSMVSYJD-CHATXHBRSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136277
O=C([C@@H]1CCn2c1ccc2C(=O)c1ccccc1)O[C@H]1O[C@@H](C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	PC-id_93977450	431.393	OAKSFFKSMVSYJD-XBDXFQMBSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136278
OC(=O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC(=O)C2c3ccc(C(=O)c4ccccc4)n3CC2)O1	MCULE-5696772443	431.393	OAKSFFKSMVSYJD-RVLIQFCMSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136279
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CCN(CC2)C(=O)O)cc1)C	PC-id_69480484,SCHEMBL5539213	431.399	JICIAERFGZLODM-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136280
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CCN(CC2)C(=O)O)cc1)C	SCHEMBL5539219,PC-id_69480487	431.399	JICIAERFGZLODM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136281
Fc1cccc(c1C(=O)Nc1sc2c(c1C(=O)O)C(OC2(C)C)(C)C)C(F)(F)F	PC-id_67300640,SCHEMBL2162105	431.401	KJSYSLUZJIHWRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136282
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1cc(C)ccc1C	MCULE-6048199129	431.431	UBLLPQDUEPSABH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136303
c1(C(F)F)c2CCCc2n(CC(=O)NCCCn2c(C3CC3)cc(C(F)(F)F)n2)n1	ZINC22_36613824,PC-id_19590927,TIMTEC123890,EMOLS-id_8867345,MCULE-7155715631	431.403	DJVMLLJOWRJZNU-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-136283
O=C(C(=O)c1c(C)c(c2n1CCC2)C(=O)OC(C)(C)C)NC(C(F)(F)F)(C(=O)N)C	PC-id_139525115,SCHEMBL21398403	431.406	WYHZABBUOKEHST-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136284
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324871688	431.431	YEYPBIHDCBZZTP-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136285
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324872200	431.431	CHIVFPVKNYCLDO-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136286
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)c1	EMOLS-id_324879885	431.431	UBLLPQDUEPSABH-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136287
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)c1	EMOLS-id_324880397	431.431	AOMJDDJFMJNPON-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136288
Cc1cccc(OCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)c1C	EMOLS-id_324874251	431.431	MQGBHONDOPYAKQ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136289
Cc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)c1C	EMOLS-id_324877834	431.431	AUOOFEKOVJYRJN-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136290
CCc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)c1	EMOLS-id_324887049	431.431	GPZICOUFROHKOB-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136291
CCc1cccc(OCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)c1	EMOLS-id_324887561	431.431	PIBQVMPRPCMQHY-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136292
CCc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324886031	431.431	YANTWELCWWDTMH-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136293
CCc1ccc(OCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324886528	431.431	QANRRQCWSIPDAJ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136294
FC(F)(F)c1ccccc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324852982	431.431	RTEQFXSXWSUBBW-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136295
FC(F)(F)c1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324852470	431.431	PSZMGRIQISCBDK-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136296
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCCOc1ccccc1	MCULE-3889775986	431.431	RTEQFXSXWSUBBW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136297
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCCOc1ccccc1	MCULE-4810937335	431.431	PSZMGRIQISCBDK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136298
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1ccc(cc1)CC	MCULE-1343340023	431.431	YANTWELCWWDTMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136299
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1ccc(cc1)CC	MCULE-5919389258	431.431	QANRRQCWSIPDAJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136300
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1cccc(C)c1C	MCULE-1472735759	431.431	AUOOFEKOVJYRJN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136301
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1c(C)cccc1C	MCULE-7927682624	431.431	CHIVFPVKNYCLDO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136304
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1cc(C)ccc1C	MCULE-9759373359	431.431	AOMJDDJFMJNPON-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136305
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1c(C)cccc1C	MCULE-9790426488	431.431	YEYPBIHDCBZZTP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136306
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1cccc(CC)c1	MCULE-7899955846	431.431	PIBQVMPRPCMQHY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136307
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1cccc(CC)c1	MCULE-8805919465	431.431	GPZICOUFROHKOB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136308
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCc1c(F)cccc1F	PC-id_16947304	431.431	CWMLHFJXMWGSNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136309
CC1(C(C(C(C(O1)COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)O)O)O)O	PC-id_89839752	431.436	GMQDGYOCJSURRK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136310
O=C([C@H]1CCn2c1ccc2C(=O)c1ccccc1)OCC1O[C@](C)(O)C([C@H]([C@H]1O)O)O	SCHEMBL15304453	431.436	GMQDGYOCJSURRK-XHECZQEXSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136311
CCOC(=O)c1c(NC(=O)Cn2nc(c3ccc(F)cc3)oc2=O)sc2c1CCC2	CoCoCo_4266501,EMOLS-id_29598147,PC-id_27039869,ZINC22_16277449,MCULE-3663937458	431.437	YNDFUMBFUVINKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136312
NC(=O)c1c(NC(=O)COC(=O)[C@H]2CC(=NO2)c2cccc(F)c2)sc2c1CCC2	CoCoCo_4855123,PC-id_40149149,ZINC22_32912289	431.437	XGSCSBYYBSZYCC-CQSZACIVSA-N	00000011100000110001100010000000000000000000000000000000	25-01-136313
NC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC(=NO2)c2cccc(F)c2)sc2c1CCC2	PC-id_40149148,CoCoCo_4855124,ZINC22_32912288	431.437	XGSCSBYYBSZYCC-AWEZNQCLSA-N	00000011100000110001100010000000000000000000000000000000	25-01-136314
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)C1ON=C(C1)c1cccc(c1)F	MCULE-5462328608,EMOLS-id_24978757,PC-id_42958915	431.437	XGSCSBYYBSZYCC-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-136315
CCOC(=O)N1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL6010760,PC-id_69635299	431.442	GQLWKZAXNIDNBF-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136316
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2C[C@H](N(CC2)C(=O)O)CC)cc1)C	PC-id_69635321	431.442	QIZJQPGPUWOVFZ-QMRFKDRMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136317
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CC(N(CC2)C(=O)O)CC)cc1)C	PC-id_69635310	431.442	QIZJQPGPUWOVFZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136318
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)OCC)cc1)C	PC-id_77712957	431.442	GQLWKZAXNIDNBF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136319
O=C(N1Cc2c([nH]nc2NC(=O)CCC(=O)c2ccccc2)C1)NC(=O)c1ccccc1	PC-id_68440157,SCHEMBL2917034	431.444	YYTRSVIBTBKVIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136320
CCC(N1Cc2c(S1(=O)=O)cc(s2)/C=C/c1ccc(cc1)C(F)(F)F)C(=O)O	SCHEMBL8029905,PC-id_57791533	431.449	QKSNGQHNRJSIGH-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136321
CCC(N1Cc2c(S1(=O)=O)sc(c2)/C=C/c1ccc(cc1)C(F)(F)F)C(=O)O	PC-id_57791512,SCHEMBL8027438	431.449	OGPLYNSNDHIUTO-VMPITWQZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136322
S1(=O)(=O)N(Cc2c1sc(c2)C=Cc1ccc(cc1)C(F)(F)F)C(CC)C(=O)O	PC-id_70259853	431.449	OGPLYNSNDHIUTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136323
S1(=O)(=O)N(Cc2sc(cc12)C=Cc1ccc(cc1)C(F)(F)F)C(CC)C(=O)O	PC-id_76606579	431.449	QKSNGQHNRJSIGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136324
c1(NC(=O)CSc2nc(C)cc(n2)C(F)(F)F)sc2c(CCC2)c1C(=O)OC	MCULE-3222290381,EMOLS-id_5124472,CoCoCo_1949896,PC-id_1037969,TIMTEC473745,ZINC22_708700	431.452	UECZUAJHZBYSHK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-136325
O=C(C(=O)c1c2CC=Cn2c(c1C)C(=O)Nc1ccc(c(c1)F)F)NC1(C)CSC1	PC-id_141757321	431.456	WIDKZKFAWOHYFC-UHFFFAOYSA-N	00001011100000110000000010000000000000000000000000000000	25-01-136326
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1F	EMOLS-id_324823034	431.457	OMBTWKXBVJBASX-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136327
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c(F)c1	EMOLS-id_324823546	431.457	KQSGBHBMLPPOLA-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136328
Fc1ccc(F)c(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324822527	431.457	VPCORANARFRQSA-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136329
n12c(=O)c(=Cc3ccc(cc3F)F)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-9190167702	431.457	KQSGBHBMLPPOLA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136330
n12c(=O)c(=Cc3ccc(c(F)c3)F)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-3047957809	431.457	OMBTWKXBVJBASX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136331
n12c(=O)c(=Cc3cc(F)ccc3F)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8215958644	431.457	VPCORANARFRQSA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136332
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_16506445	431.459	PWQLXQDNNRCVGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136333
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(cc1)C=O)C(=O)OCC	PC-id_3580251	431.459	PWALRDDZPSRIHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136334
c1(NC(=O)C(=O)NN=Cc2cccc(OC)c2OC)sc2c(CCC2)c1C(=O)OC	MCULE-7570772648,PC-id_2002064	431.462	IHKXZQGZUVDYRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136335
c1(NC(=O)C(=O)NN=Cc2ccc(c(OCC)c2)O)sc2c(CCC2)c1C(=O)OC	MCULE-1571147552	431.462	VGRQGSYZAZGXOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136336
c1(NC(=O)C(=O)NN=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)OC	PC-id_2001997,MCULE-6598164865	431.462	UWUUEPLLCZYGAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136337
c1(NC(=O)C(=O)NN=C(C)c2ccc(cc2O)O)sc2c(CCC2)c1C(=O)OCC	MCULE-6763166853	431.462	MCYYLYXLSKSHGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136338
C/C(=NNC(=O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)/c1cc(c(cc1)O)OC	PC-id_135607592	431.462	FLUGZTDNGQRJLW-LSHDLFTRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136339
CCOc1c(ccc(c1)/C=NNC(=O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)O	PC-id_136717946	431.462	VGRQGSYZAZGXOL-FBHDLOMBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136340
CCOc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1O	EMOLS-id_26342987,STOCK4S-51419,PC-id_135629853	431.462	VGRQGSYZAZGXOL-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136341
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccc(cc2O)O)C)sc2c1CCC2	STOCK4S-39223,EMOLS-id_26339914,PC-id_135629855,GD-id_ZINC09108956	431.462	MCYYLYXLSKSHGL-LSHDLFTRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136342
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C/c1cc(c(cc1)O)OC	PC-id_135554279	431.462	PFYTYKAYDHNQKC-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136343
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C(/C)c1c(cc(cc1)O)O	PC-id_136915570	431.462	MCYYLYXLSKSHGL-YVNNLAQVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136344
COc1ccc(c(c1)/C=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCC2)OC	EMOLS-id_26347545,STOCK4S-68436,PC-id_6889959	431.462	UWUUEPLLCZYGAL-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136345
COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	EMOLS-id_3222924,CoCoCo_2971553,ZINC22_2652281,MCULE-9411276632,PC-id_2115620	431.462	OIOFRGZMVNMHMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136346
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(c2OC)OC)sc2c1CCC2	PC-id_6889963,STOCK4S-68520,EMOLS-id_26347567	431.462	IHKXZQGZUVDYRO-UFFVCSGVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136347
NC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2	CoCoCo_3151837,PC-id_41134641,ZINC22_9584540	431.462	WTRZCXOWLOVSEC-LLVKDONJSA-N	00000010101000000000000010000000000000000000000000000000	25-01-136348
NC(=O)c1c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2	ZINC22_9584547,CoCoCo_3151836,PC-id_41134645	431.462	WTRZCXOWLOVSEC-NSHDSACASA-N	00000010101000000000000010000000000000000000000000000000	25-01-136349
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)C1CN(C(=O)C1)Cc1ccco1	MCULE-5854993937,PC-id_16250472,EMOLS-id_3488137	431.462	WTRZCXOWLOVSEC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-136350
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1occc1)C)C(=O)OCC	PC-id_55435817	431.462	JGVUVNNHVWCOJP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136351
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1N(CCC1)C(=O)c1occc1)C(=O)N	PC-id_55368731	431.462	AYQLXISZTTYVBX-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-136352
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccccc1)CO)C(=O)N	PC-id_55886395	431.462	JBVWTWFHDPRYGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136353
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C(=C
/C(=CC(=O)C=C1)O)/C)C(=O)OCC	PC-id_17574871	431.462	VGLWSTZEWBBOKL-ZRDIBKRKSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136354
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C1C(=CC(=O)C=C1)O)C)C(=O)OCC	PC-id_6807593	431.462	VGLWSTZEWBBOKL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136355
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C=C
/C=C(OCC)C(=O)C=C1)C(=O)OC	PC-id_17575081	431.462	ZNXCCNXVWMIPDH-ZHACJKMWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136356
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC=C1C=C(OCC)C(=O)C=C1)C(=O)OC	PC-id_6801752	431.462	ZNXCCNXVWMIPDH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136357
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C1C=C(OC)C(=O)C=C1)C)C(=O)OC	PC-id_6836415	431.462	HDRMPGZFFZCOID-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136358
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C=C
/C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_19661003	431.462	JKFZDMBTHHDGHX-ZHACJKMWSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136359
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC=C1C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_73635450	431.462	JKFZDMBTHHDGHX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-136360
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C)c1c(O)cc(O)cc1)C(=O)OCC	PC-id_2003218	431.462	OTDZDCGQJLNPTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136361
c1(NC(=O)COc2nonc2CC(=O)N2CCC(CC2)O)sc2CCCc2c1C#N	MCULE-6218280864,EMOLS-id_333692200	431.466	LPXYHDGSKNKMIA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136362
c1(NC(=O)COc2nonc2CC(=O)NCC2CCCO2)sc2CCCc2c1C#N	MCULE-1837565354,EMOLS-id_333683551	431.466	VQJIAXYSWQZWSW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136363
c1(NC(=O)COc2nonc2C(=O)N2CCC(CC2)CO)sc2CCCc2c1C#N	EMOLS-id_333660362,MCULE-8726327039	431.466	QJRSHDJUSNBLNR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136364
c1(NC(=O)COc2nonc2C(=O)N2CC(C)OC(C)C2)sc2CCCc2c1C#N	MCULE-1996704317,EMOLS-id_333660617	431.466	UYUWGMIFTKNDFF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136365
C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1=O	CoCoCo_3922434,EMOLS-id_3419226,PC-id_4789730,MCULE-7588226524,ZINC22_9442467	431.466	JYWNTLTYSQQUQZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-136366
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_44053160	431.466	OLPLQZFAKLVEEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136367
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1	PC-id_44053159	431.466	YIPAYOZEEJMJKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136368
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1c([N+](=O)[O-])cccc1	PC-id_44053158	431.466	HRUBYERRSNPLSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136369
S1Cc2c(nn(c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCCOC)C1	PC-id_44053043	431.466	HTERBQISQYOGFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136370
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1C(C1)c1ccc(F)cc1)C(=O)OCC	PC-id_55476798	431.477	HUWDJTRNNBLOCQ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-136371
COC(=O)C1CCN(CC1)C(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(cc1)F	PC-id_16947184,EMOLS-id_12346429,MCULE-2397204238	431.48	XMRKKHMUWBTIEM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136372
COC(=O)[C@@H]1CCN(CC1)C(=O)[C@@H]1CCc2c1nc(s2)NC(=O)c1ccc(cc1)F	CoCoCo_5124740,PC-id_40945402	431.48	XMRKKHMUWBTIEM-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136373
COC(=O)[C@@H]1CCN(CC1)C(=O)[C@H]1CCc2c1nc(s2)NC(=O)c1ccc(cc1)F	CoCoCo_5124741,PC-id_40945403	431.48	XMRKKHMUWBTIEM-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136374
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_27640667,ZINC22_32593629,PC-id_39835041,MCULE-9897973583,CoCoCo_6645053,TIMTEC320033	431.482	MURJUXRWKMMUFU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-136375
COc1ccc(c(c1)NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCC2)OC	GD-id_ZINC17097944,PC-id_27526989	431.482	YTEPMZAPEZOLLT-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-136376
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_320692299,MCULE-6242139456	431.485	OQKJQLXBCGKVRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136377
COC(C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C)O	SCHEMBL14521364,PC-id_71191363	431.485	YXEMBXWSBYAKEY-NYRJJRHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136378
O=C(Oc1sc2c(c1C(=O)O)CCC2)CSc1nnc(n1C)c1ccc(cc1)O	PC-id_138706177,SCHEMBL21082435	431.485	UDRVXDQESHOUEZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136379
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_17187142	431.485	BATPTIKPIBTQRR-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136380
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_73372741	431.485	BATPTIKPIBTQRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136381
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_17176188	431.485	DZDISQZUQGSNCW-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136382
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_73371962	431.485	DZDISQZUQGSNCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136383
c1(C(=O)NCc2cccnc2)cnn2CC(Cc12)NC(=O)C1(c2ccc(cc2)OC)CC1	MCULE-5109528729	431.487	ABTVNIWRYWQYDP-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-136384
c1(C(=O)NCc2cccnc2)cnn2C[C@H](Cc12)NC(=O)C1(c2ccc(cc2)OC)CC1	EMOLS-id_316318012,MCULE-1825608573	431.487	ABTVNIWRYWQYDP-SFHVURJKSA-N	00100010100000111001100010000000000000000000000000000000	25-01-136385
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)N(c1ccccc1)C=O	PC-id_141257357	431.487	LKCUXYDCZBBJJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136386
COc1cccc(c1)c1n[nH]c(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109284	431.487	ZIEOIECSXJQTRS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-136387
COc1ccccc1c1n[nH]c(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109462	431.487	LTRUHBNIKCUXDN-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-136388
O=C(N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)c1ccccc1)NCCCC	PC-id_54767476	431.487	IWPMPCFUGHLHGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136389
c1(NC(=O)CC2S/C(=Nc3ncccn3)/NC2=O)sc2c(CCC2)c1C(=O)OC	PC-id_136184841,MCULE-9426236965	431.489	NOSKJHLRRLPBIE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-136390
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1ccc(F)cc1)C(=O)OC	PC-id_19469428	431.5	JYMQEMBROXAYDT-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-136391
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1cc(F)ccc1)C(=O)OC	PC-id_19493179	431.5	QZKZUDOWDLUIKR-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-136392
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(F)cccc1)C(=O)OC	PC-id_19495017	431.5	HUIASPMCCVAALY-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-136393
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(cc1)OCC)C(=O)OC	MCULE-6237831329,PC-id_19226024	431.502	SSHLXUBMXNJTTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136394
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1)C)C(=O)OC	CHEMBL1437644,MCULE-5149408984,PC-id_2790634,STOCK2S-62233,EMOLS-id_1865688	431.502	WDBSUQQXYGRRAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136395
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccccc1C)C(=O)OC	MCULE-1523808621,BAS-03079294,PC-id_2790411,EMOLS-id_1416070	431.502	ZYYPTDUSLBSKBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136396
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1cccc(C)c1)C(=O)OC	MCULE-9859685401,SPECS-id_AF-399/40886170,CHEMBL1487571,STOCK2S-83474,PC-id_2790671,EMOLS-id_1866118	431.502	FMMULICEBVUPKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136397
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)C(C)C)C(=O)OC	ChEMBL-DNDi_CHEMBL4300-0037,PC-id_2789274,STOCK2S-57317,SPECS-id_AF-399/13428148,EMOLS-id_1859359,MCULE-7024055689	431.502	HXCSDTDADANXMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136398
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1c(C)ccc(C)c1C)C(=O)OC	EMOLS-id_1868499,PC-id_2791134,MCULE-3356284654,STOCK3S-18390	431.502	KSUOEITXJCOACK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136399
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cc(C)cc(C)c1C)C(=O)OC	PC-id_19177316,MCULE-2161786155	431.502	YFASWIHVBHJPLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136400
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cccc(C(C)C)c1)C(=O)OC	MCULE-6562448238,PC-id_19175929	431.502	QUIICFPFDGKWSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136401
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	PC-id_1539877,MCULE-1637918773	431.502	SDROQJBLCSAKOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136402
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)sc2c1CCC2	ZINC22_408573902	431.502	FAZFKPBMFINUKH-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136403
CCOC(=O)c1c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)sc2c1CCC2	ZINC22_1470075,EMOLS-id_50416133,PC-id_1539878	431.502	SDROQJBLCSAKOH-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136404
COC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_277036,PC-id_1564301,ZINC22_1772515	431.502	ZYYPTDUSLBSKBM-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136405
COC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_277037,PC-id_1564300,ZINC22_1772514	431.502	ZYYPTDUSLBSKBM-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136406
COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_1784148,PC-id_1565254,ZINC22_1773769	431.502	FMMULICEBVUPKK-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136407
COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1564867,ZINC22_1773380,CoCoCo_5838771	431.502	WDBSUQQXYGRRAC-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136408
COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1565255,CoCoCo_1784147,ZINC22_1773770	431.502	FMMULICEBVUPKK-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136409
COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1773381,PC-id_1564868,CoCoCo_5838772	431.502	WDBSUQQXYGRRAC-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136410
COC(=O)c1c(NC(=O)COc2c(C)ccc(C)c2C)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_1798576,PC-id_1188907,ZINC22_951213	431.502	KSUOEITXJCOACK-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136411
COC(=O)c1c(NC(=O)COc2c(C)ccc(C)c2C)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_951214,CoCoCo_1798575,PC-id_1188908	431.502	KSUOEITXJCOACK-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136412
COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_1778658,ZINC22_729947,PC-id_1051251	431.502	HXCSDTDADANXMG-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136413
COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1051250,ZINC22_729946,CoCoCo_1778657	431.502	HXCSDTDADANXMG-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136414
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1c(occ1)C(=O)OC	PC-id_18278706	431.502	YYPCTPSHPRUASX-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-136415
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1c(OC)cccc1)C(=O)OCC	PC-id_24384688	431.502	WSWNEFSEOCNXAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136416
s1c2CCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2cc(c(F)cc2)C)cc1	PC-id_33040852	431.504	WASOSJGTXYYADB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136418
c1(NC(=O)NN=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4919482204,PC-id_19168829	431.505	JFVFSXFGQKHWPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136419
Cc1cc(C(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(C)n1C	MCULE-7114794995,EMOLS-id_3495052,PC-id_16251995,CoCoCo_3637485,ZINC22_13148885	431.505	AWPFYLQAPVWAKQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-136420
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=N/O)/[C@@H]1O	CoCoCo_5749098,PC-id_92341299,ZINC22_104315553	431.505	JPWKRBICFQIOPE-OCCSSJQXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136421
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=NO)/[C@@H]1O	CoCoCo_5749099,PC-id_98562497,ZINC22_8665752	431.505	JPWKRBICFQIOPE-BSLROQETSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136422
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=N/O)/[C@@H]1O	CoCoCo_5749100,ZINC22_104315547,PC-id_92341298	431.505	JPWKRBICFQIOPE-BPYDLYRRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136423
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=NO)/[C@@H]1O	PC-id_98562499,CoCoCo_5749097,ZINC22_8665753	431.505	JPWKRBICFQIOPE-BMNIPWAFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136424
CCOC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)sc2c1CCC2	ZINC22_36346367,EMOLS-id_48400217,PC-id_2697686,MCULE-8963538066,PD103276,ASN-05675840,SCHEMBL15272557	431.505	KEVHLTCEMHIJTQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-136425
CCOC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CNC1)C	SCHEMBL18729847	431.505	XEGCRDKGPLEXLL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-136426
COc1ccc(c(c1)OC)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109637	431.505	URDKTVDGXTVUPZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-136427
COc1ccc(c(c1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)OC	PC-id_92109604	431.505	YARUUCONXYUIQO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-136428
COC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2cccc(OC)c2)sc2c1CCC2	MCULE-4230678768,PC-id_16256366,ZINC22_14066281,CoCoCo_3586061,CoCoCo_3586060,EMOLS-id_3512420	431.505	FXIQZAJXFBWVCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136429
O/N=C
/c2sccc2[C@@H]([C@@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749096,GD-id_ZINC16958886,NSC681948	431.505	JPWKRBICFQIOPE-GGZYGRCTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136430
O/N=C/1c2sccc2[C@H]([C@@H]1O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749101	431.505	JPWKRBICFQIOPE-QYKPWKLJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136431
O/N=C
/c2sccc2[C@H]([C@@H]1O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749102	431.505	JPWKRBICFQIOPE-CLZUVRPZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136432
O/N=C/1c2sccc2[C@H]([C@@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749103	431.505	JPWKRBICFQIOPE-PWZFLJEFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136433
O/N=C
/c2sccc2[C@H]([C@@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749104	431.505	JPWKRBICFQIOPE-YMRLGPEJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136434
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1noc(c1)C	PC-id_45663322	431.505	JKELOHULEMAJBW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136435
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1onc(c1)C	PC-id_18135358	431.505	BFNAGCWGPMQSTJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136436
s1c2c(CCC2)c(c1NC(=O)CNc1cc(OCC(=O)N(C)C)ccc1)C(=O)OC	PC-id_52704399	431.505	NXDLMPUFTYLUHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136437
s1c2c(CCC2)c(c1NC(=O)CN(CCC(=O)N)c1ccc(OC)cc1)C(=O)OC	PC-id_24561192	431.505	QUJQHVGRTTXEFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136438
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(n(nc1C)C)C)C(=O)OCC	PC-id_41496566	431.505	KRSLEUIMHRSFDZ-MDZDMXLPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136439
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(n(nc1C)C)C)C(=O)OCC	PC-id_74761129	431.505	KRSLEUIMHRSFDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136440
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCC1OCCC1	PC-id_16948004	431.505	MWICYVXSTBOZPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136441
s1c2c([C@H](NC(=O)C(NC(=O)OC(C)(C)C)Cc3ccccc3)[C@H](O)C2=NO)cc1	PC-id_387814	431.505	JPWKRBICFQIOPE-ZWBSKUQPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136442
s1c2c(C(NC(=O)C(NC(=O)OC(C)(C)C)Cc3ccccc3)C(O)C2=NO)cc1	PC-id_496200	431.505	JPWKRBICFQIOPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136443
s1c2c(C(NC(=O)C(NC(=O)OC(C)(C)C)Cc3ccccc3)C(O)/C/2=N/O)cc1	PC-id_5874050	431.505	JPWKRBICFQIOPE-JLPGSUDCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136444
c1(NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7720416016,EMOLS-id_334343840	431.507	UPVKIAVHCOZGIF-UHFFFAOYSA-N	00000010111000110000100010000000000000000000000000000000	25-01-136445
c1(NC(=O)COc2ccc(cc2)C(=O)Nc2ccccc2C)sc2c(CCC2)c1C#N	EMOLS-id_2481196,CoCoCo_517379,ZINC22_950215,PC-id_1188046,MCULE-2991266563	431.507	CNXXNKKBEQJQFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136446
c1(NC(=O)COc2ccc(cc2)C(=O)NCc2ccccc2)sc2c(CCC2)c1C#N	ZINC22_941387,EMOLS-id_2248520,MCULE-7774546852,CoCoCo_1011497,PC-id_1182088	431.507	DPFOLPVSTDPXTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136447
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccccc2C)sc2c(CCC2)c1C#N	EMOLS-id_323184679,MCULE-8823005524	431.507	OJBBRKKJFOJBKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136448
c1(NC(=O)COc2ccc(cc2)NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	MCULE-1805099127,EMOLS-id_323186134	431.507	GHISDGGWEPHPIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136449
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	MCULE-4260027567,EMOLS-id_323194159	431.507	PIKYRRHNYWPACW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136450
c1(NC(=O)COc2ccc(cc2)NC(=O)c2ccccc2C)sc2c(CCC2)c1C#N	MCULE-7327431539,EMOLS-id_323174869	431.507	GUYSMAIXEHOIJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136451
c1(NC(=O)COc2ccc(cc2)NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C#N	MCULE-3724917107,EMOLS-id_323181269	431.507	QMEHUZRDIMXOCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136452
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C#N	MCULE-5592074390,EMOLS-id_323188267	431.507	XAYDOWMMMOZPAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136453
c1(NC(=O)COc2cccc(c2)NC(=O)Cc2ccccc2)sc2c(CCC2)c1C#N	MCULE-3668363648,EMOLS-id_323164227	431.507	VVKYBWXKDPHKBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136454
c1(NC(=O)COc2ccc(cc2)NC(=O)Cc2ccccc2)sc2c(CCC2)c1C#N	MCULE-9376302165,EMOLS-id_323175142	431.507	OCOCRRXOSCQQNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136455
C=CCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_45970572,ZINC22_27022595	431.507	DSNAOPMVTGUJFQ-CSEDCYJQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136456
Cn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccc(F)cc1	ZINC22_3391464,CoCoCo_3097028,MCULE-1368729307,SCHEMBL21045545,EMOLS-id_3298033,PC-id_2509697	431.507	XGWQDVQQFJNZRK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136457
n12nc(nc1sc(=Cc1cc(C)c(c(C)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)C	MCULE-2429292265	431.507	FCBVJVUNJHAPQT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136458
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC=C)c2=O)C=Cc1ccc(cc1)C	MCULE-6069565340	431.507	CMQOKPJSUNCMLZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136459
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC=C)c2=O)C=Cc1ccccc1	MCULE-3390741491	431.507	DSNAOPMVTGUJFQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136460
s1c2CCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)Nc1ccc(cc1)C)C#N	PC-id_1667812	431.507	ORWOEKMALPPVTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136461
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(F)cccc1)C)C(=O)N	PC-id_45735635	431.507	YBHOJGAWBTVNOX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136462
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cn1)C(=O)OC	PC-id_20178785	431.507	HPWAWOFIBWGRSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136463
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2cc(F)ccc2)cn1)C(=O)OC	PC-id_20179515	431.507	HKYOEUAKYGONMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136464
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cn1)C(=O)OC	PC-id_20178346	431.507	OAGRTKQAVSTFIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136465
c12c(CCC1C(=O)OCC)sc(NC(=O)C1CCN(CC1)c1ccc(=O)n(C)n1)n2	MCULE-4600738866,EMOLS-id_48610714,PC-id_72717241	431.509	QAVRWUBFDJHHOH-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-136466
c1(NC(=O)COc2nonc2CC(=O)NCCCCCC)sc2CCCc2c1C#N	EMOLS-id_333685842,MCULE-8632413788	431.509	QGHYYIVNNOIJKI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136467
c1(NC(=O)COc2nonc2CC(=O)N(CCC)CCC)sc2CCCc2c1C#N	EMOLS-id_333690152,MCULE-5590710342	431.509	LPDOXRDPQLXWHE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136468
c1(NC(=O)COc2nonc2CC(=O)N(CCCC)CC)sc2CCCc2c1C#N	MCULE-6208482247,EMOLS-id_333690919	431.509	MTGPRCYHVDQLIN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136469
c1(NC(=O)COc2nonc2C(=O)N(CCCC)CCC)sc2CCCc2c1C#N	EMOLS-id_333662666,MCULE-2592774116	431.509	VANILLWJYCSUBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136470
CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CCN(c4ccc(=O)n(C)n4)CC3)nc12	PC-id_97427054,ZINC22_96119215	431.509	QAVRWUBFDJHHOH-CYBMUJFWSA-N	00000010100010100001100010000000000000000000000000000000	25-01-136471
CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CCN(c4ccc(=O)n(C)n4)CC3)nc12	ZINC22_96119216,PC-id_97427055	431.509	QAVRWUBFDJHHOH-ZDUSSCGKSA-N	00000010100010100001100010000000000000000000000000000000	25-01-136472
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2[C@H](CN[C@H](C2)C)C)(C)C)nc(nc1)NCC	PC-id_25156313	431.51	RHWYVFAWXYFUMR-RYUDHWBXSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136473
s1c2c(CCC2)c(c1Nc1nc(N2CC(CC(C2)C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787947	431.512	WBUCFQMGPPMMGP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-136474
s1c2c(CCC2)c(c1Nc1nc(N2C[C@@H](C[C@@H](C2)C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127515	431.512	WBUCFQMGPPMMGP-AOOOYVTPSA-N	00000010100010100001100010000000000000000000000000000000	25-01-136475
s1c2c(CCC2)c(c1Nc1nc(N2C[C@H](C[C@@H](C2)C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127516	431.512	WBUCFQMGPPMMGP-UWVGGRQHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-136476
s1c2c(CCC2)c(c1Nc1nc(N2C[C@@H](C[C@H](C2)C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127517	431.512	WBUCFQMGPPMMGP-NXEZZACHSA-N	00000010100010100001100010000000000000000000000000000000	25-01-136477
s1c2c(CCC2)c(c1Nc1nc(NC2CCCCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127543	431.512	DKODODIPYDILSS-UHFFFAOYSA-N	00000010100000100101000010000000000000000000000000000000	25-01-136478
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(F)cc1)C(=O)OCC	PC-id_22198395	431.524	CXELKMYQZNQCRF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136479
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(F)cccc1)C(=O)OCC	PC-id_2685234	431.524	JADYZZZGLLFQTP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136480
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(F)cc1)C(=O)OC	PC-id_22195887	431.524	WTGUEPHZNZPHQW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136481
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(F)ccc1)C(=O)OC	PC-id_22195687	431.524	DROHMYGXLPVGIU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136482
CCNC(=NCc1nnc2n1CCC2)N1CCN(CC1)C(c1ccc(cc1F)F)CC	PC-id_109544982	431.525	VGWQSMMTPNBROS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136483
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=C(C(=N)C)C(=O)C)[O-]	PC-id_52540579	431.525	SYBDIXDPHCSRKB-UHFFFAOYSA-M	00000010100010000000000010000000000000000000000000000000	25-01-136484
OC(C1NC(CC1)Cc1ccc(NC(=O)C2CCc3c2onc3C)cc1)c1ccccc1	PC-id_78077974	431.527	HUNWYIGXTVTXHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136485
O[C@@H]([C@@H]1N[C@@H](CC1)Cc1ccc(NC(=O)C2CCc3c2onc3C)cc1)c1ccccc1	PC-id_71468640	431.527	HUNWYIGXTVTXHJ-RJYPWGPHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136486
O=C(Nc1c2CCC(c2nn1C(=O)OC(C)(C)C)C)Cc1ccc(cc1)c1ccccc1	PC-id_101246383	431.527	CYAAWCCLHNIDID-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136487
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCC2)sc2CCCc2c1C#N	EMOLS-id_333774162,MCULE-3383316971	431.528	PRIUNCGEWJNIKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136488
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_320699987,MCULE-6105988023	431.528	MBLMTXPGXAMOTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136489
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(OC)cc2)sc2c(CCC2)c1C#N	MCULE-3019768986,EMOLS-id_320689244	431.528	DVLNXECCYCKERY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136490
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2OCC)sc2c(CCC2)c1C#N	MCULE-8369099069,EMOLS-id_320725310	431.528	XHOGTAZWGVLJSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136491
c1(NC(=O)CS(=O)CC(=O)Nc2cc(C)ccc2OC)sc2c(CCC2)c1C#N	MCULE-6591023528,EMOLS-id_320628966	431.528	QGPGWHXEQIOMLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136492
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(OCC)cc2)sc2c(CCC2)c1C#N	EMOLS-id_320672595,MCULE-9421538552	431.528	WMXFBPFRTYDMEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136493
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nc3c(s2)CCC3)Cc2ccco2)cc1	ZINC22_25769056,CoCoCo_4412159,MCULE-3084734401,PC-id_33040755,EMOLS-id_27376524	431.528	BBGFBHKUJXPEEN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-136494
CCCN(Cc1nnc(c2cccs2)o1)C(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-6345547277,PC-id_45848906,EMOLS-id_29965934,ZINC22_18468015,CoCoCo_4057300	431.528	OAWFCJPZEZJJII-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-136495
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCC1CC1	SCHEMBL14057047,PC-id_89238319	431.528	FYTNPOBPJMYPPV-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-136496
C=CC(=O)NC1CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	SCHEMBL14057593,PC-id_89238783	431.528	HAWPLTNDUVTNDX-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-136497
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)N(C(=O)C1CC1)C	PC-id_89238909,SCHEMBL14057759	431.528	LQHFMIVMOLDRNN-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-136498
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(SC)cc1)C(=O)OCC	PC-id_19659703	431.528	IIYKLKJYNNDMQU-SRZZPIQSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136499
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(SC)cc1)C(=O)OCC	PC-id_73634184	431.528	IIYKLKJYNNDMQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136500
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(OC)cc1	PC-id_16923959	431.528	OXNGDNGKDWLQGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136501
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)Cc1cccs1	MCULE-1266735807	431.53	CUFMLGDKUAQGMX-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-136502
N#Cc1c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)sc2c1CCC2	CoCoCo_2987166,PC-id_16532399,ZINC22_10316268,EMOLS-id_13856433,MCULE-6237758820	431.53	AQCPQXDQLNIORM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136503
N#Cc1c(NC(=O)CSc2nnc(Nc3cccc(F)c3)s2)sc2c1CCC2	PC-id_16323232,ZINC22_13117823,MCULE-4795179131,CoCoCo_3896732,EMOLS-id_43916065	431.53	CBIDXNYFVNJOFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136504
N#Cc1c(NC(=O)CSc2nnc(Nc3ccc(F)cc3)s2)sc2c1CCC2	ZINC22_9620542,PC-id_16337124,CoCoCo_4309192,EMOLS-id_11777695,MCULE-6237394958	431.53	KGJDPSSFJWODBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136505
O=c1n2nc(Cc3cccs3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324837104	431.53	CUFMLGDKUAQGMX-MOSHPQCFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-136506
Cc1occc1c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)n1C	ZINC22_14117360,PC-id_25950935,CoCoCo_4176436	431.532	GYSKFKVETMLULV-SNVBAGLBSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136507
Cc1occc1c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)n1C	ZINC22_14117363,PC-id_25950937,CoCoCo_4176435	431.532	GYSKFKVETMLULV-JTQLQIEISA-N	00000010101000000001100010000000000000000000000000000000	25-01-136508
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1C)c1ccoc1C	PC-id_17446407,MCULE-8281690590,EMOLS-id_13467769,SCHEMBL21045310	431.532	GYSKFKVETMLULV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136509
CCn1c(nnc1c1ccco1)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-7597856136,EMOLS-id_13534800,PC-id_17468848	431.532	SIAOKZCMZOCVAO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136510
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccoc1C	ZINC22_9827061,ASN-05916928,PC-id_3213850	431.532	FAQCEDQJMRAPMG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136511
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccco1	CoCoCo_4173497,ZINC22_14198248,PC-id_25987211	431.532	SIAOKZCMZOCVAO-SNVBAGLBSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136512
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccco1	ZINC22_14198247,PC-id_25987210,CoCoCo_4173496	431.532	SIAOKZCMZOCVAO-JTQLQIEISA-N	00000010101000000001100010000000000000000000000000000000	25-01-136513
c1(cc(OC)ccc1OCC(=O)Nc1sc2CCCc2c1C(=O)OCC)C(C)(C)C	MCULE-7718483936,EMOLS-id_327874998	431.545	FAMUWHDXJNIAEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136514
CCCCOc1ccc(cc1OCC)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327987764,MCULE-8943191218	431.545	ANSYQRSCDCEZJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136515
Fc1ccc(cc1)C(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)N1CCCC1	MCULE-2617537814,EMOLS-id_328216191	431.545	LPELVBHNPXWVOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136516
CC#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)ccs2)CC(=O)O	PC-id_118195994,SCHEMBL16861228	431.547	WDCHVGAGCDEDAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136517
CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)ccs2)CC(=O)O	SCHEMBL18042317,PC-id_122511142	431.547	WDCHVGAGCDEDAH-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136518
c1(c2CCCc2sc1NC(=O)CNCC(C)C)C(=O)Nc1ccc(cc1OC)OC	CoCoCo_946151,EMOLS-id_2220035,ZINC22_12382289,BindingDB_PC-id_2942998,ChEMBL-DNDi_CHEMBL1604061,ChEMBL-DNDi_CHEMBL7594548,BindingDB-id_207401,MCULE-8738693528,PC-id_2942998	431.548	KRSJLYPWAJGBPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136519
c1(c2CCCc2sc1NC(=O)CNC(C)(C)C)C(=O)Nc1ccc(OC)cc1OC	EMOLS-id_42613032,ChEMBL-DNDi_CHEMBL7006298,PC-id_2297431,MCULE-8578616814,ZINC22_3001186	431.548	PHTWGWSDSHRIHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136520
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N(CCC)CCC	PC-id_16947968	431.548	ITSHKQNVQOTOIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136521
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N(C(C)C)C(C)C	PC-id_16947969	431.548	WGVDJNRYEVDNEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136522
CCCCCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	ZINC22_16735834,EMOLS-id_45964945	431.55	AQHNXQOMHANPIT-BDNXVVLJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136523
n12nc(nc1sc(=Cc1ccccc1OCCCCCC)c2=O)C=Cc1ccccc1	MCULE-6288451475	431.55	AQHNXQOMHANPIT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136524
Cc1ccc(S(=O)(=O)NC[C@@H]2CCc3ncc(C(=O)NCCN4CCCC4)n23)cc1	ZINC22_306144236	431.552	ZAGDRHMMHOKWQM-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136525
Cc1ccc(S(=O)(=O)NC[C@H]2CCc3ncc(C(=O)NCCN4CCCC4)n23)cc1	ZINC22_306144237	431.552	ZAGDRHMMHOKWQM-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136526
Cc1c(sc(n1)c1ccccc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	SCHEMBL14056401,PC-id_89237752	431.552	VLJVQBPKGOLCIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136527
Cc1nc(cs1)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	PC-id_89238705,SCHEMBL14057506	431.552	VHPPSTZKYJCDFW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136528
CC(n1nc(c(c1C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C)C	PC-id_92109667	431.552	SBLDQQLQPAXVJV-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-136529
O=C(CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1)NCc1nnc2n1CCC2	MCULE-6811931995,ZINC22_32889123,PC-id_40124260,CoCoCo_4560535,EMOLS-id_25025467	431.552	APGOSCOLDYRWSY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136530
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1n(nnn1)CCCC	PC-id_18208091	431.552	QUMSVFKHWFLFPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136531
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)CN1CCOCC1)C#N	PC-id_24596332	431.552	KRETZADSFHHXCG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136532
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCc2nn1)c1c(cc(cc1C)C)C	PC-id_30093266	431.552	VJPAXMDJAKUIGN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136533
CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1csc(n1)C	PC-id_59508252,SCHEMBL597982,BindingDB_PC-id_59508252	431.555	GYBHVLYADISLQC-NEPJUHHUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136534
NC(=O)c1c(NC(=O)CSc2nnc(Nc3ccccc3)s2)sc2c1CCC2	CoCoCo_3144780,PC-id_2508506,EMOLS-id_3297465,MCULE-4858524437,ZINC22_3390319	431.555	XTUISXFRDPIAMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136535
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1sc(SCC)nn1	PC-id_16947141	431.555	HAGOKVAHHHRLNQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136536
s1cc(nc1C)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)N1C(CN(C(C1)C)C)C)(C)C	PC-id_72310387	431.555	GYBHVLYADISLQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136537
COCCS(=O)(=O)N1CCN(CC1)CCNC(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956514	431.57	ITQOGPNMYHVHFY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136538
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCC)CCC)sc2c(CCC2)c1C#N	CoCoCo_675658,ZINC22_1195267,PC-id_1355079,MCULE-8811400226,EMOLS-id_2090976	431.571	DRPAZXKCWFOAOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136539
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCC)sc2CCCc2c1C#N	EMOLS-id_331785405,MCULE-8907359540	431.571	ZWWJGADREBWMHA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-136540
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CC)sc2CCCc2c1C#N	MCULE-8963760783,EMOLS-id_331791283	431.571	AQAGXKPRAJHQOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-136541
c1(NC(=S)NC(=O)COc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)N	CoCoCo_6894362,PC-id_1718387,EMOLS-id_4116875,MCULE-9890691781,SPECS-id_AG-670/41728591,ZINC22_2052477	431.571	WOLWJNWPRCCOSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136542
Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_4505400,ZINC22_16291088	431.571	KAGXOVMZOBYUPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136543
s1c2CCCc2c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)CC)cc1)C#N	PC-id_24129792	431.571	GVZSMGSATMRTDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136544
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(OC)cc1)C(=O)OC	PC-id_19654568	431.571	LUTHNKJKIAWHEV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136545
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1cc(OC)ccc1)C(=O)OC	PC-id_19655181	431.571	IOTOCYINFTXGTL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136546
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1c(OC)cccc1)C(=O)OC	PC-id_19655234	431.571	KDBJCIBHXJESSN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136547
CN=C(N1CCC(CC1)N(C(=O)OC(C)(C)C)CC1CC1)NCc1nnc2n1CCC2	PC-id_109543354	431.575	ISCHTTROSFHNFQ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-136548
OC[C@H](COc1c(C)cc(cc1C)CNC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C)O	PC-id_143171818	431.588	SARQRZNKHXCUGP-RBUKOAKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136549
OC[C@@H](COc1c(C)cc(cc1C)CNC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C)O	PC-id_143172007	431.588	SARQRZNKHXCUGP-OALUTQOASA-N	00000010100000110000000010000000000000000000000000000000	25-01-136550
s1c(nc2c1CCC2)CN1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1	PC-id_44060320	431.593	OVEDJRSRMHEIDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136551
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cccs1	PC-id_140883006	431.627	SKCDUXRGMSYJKQ-UHFFFAOYSA-N	00001010100100000001000010000000000000000000000000000000	25-01-136552
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cscc1	PC-id_140883019	431.627	NGIULINKAXVNJO-UHFFFAOYSA-N	00001010100100000001000010000000000000000000000000000000	25-01-136553
CCNC(=NCc1nnc2n1CCC2)NCCOc1c(Cl)cc(cc1Cl)Cl	PC-id_109464264	431.747	FONBNTUAGUPLQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136554
CCOc1ccc(OCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324879876	431.868	CBXMEWLXPQUYLZ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136555
COc1ccc(Cc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1OC	EMOLS-id_324926985	431.868	OQGCXKZWODUTAO-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136556
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)COc1ccc(cc1)OCC	MCULE-3084210138	431.868	CBXMEWLXPQUYLZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136557
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-1664937895	431.868	OQGCXKZWODUTAO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136558
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)C=Cc1ccc(cc1)Cl	SCHEMBL5537162,PC-id_87851514	431.873	VSRNAJJOKDNGEL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136559
Clc1ccc(cc1)C(=O)C=CN1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69479756,SCHEMBL5537161	431.873	JYYGXRXFXAULEA-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136560
Clc1ccc(C(=O)C=CN2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77659543	431.873	JYYGXRXFXAULEA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136561
CCC(C(=O)NCCCn1nc2CCCc2c1C(F)(F)F)n1nc(C)c(Cl)c1C	PC-id_19614173,EMOLS-id_8868362,TIMTEC322777,MCULE-3684975253	431.883	MXRVGPNZBGIXKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136562
CC[C@@H](C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2)n1nc(C)c(Cl)c1C	PC-id_51853360,ZINC22_36614375	431.883	MXRVGPNZBGIXKP-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136563
CC[C@H](C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2)n1nc(C)c(Cl)c1C	ZINC22_36614376,PC-id_51853361	431.883	MXRVGPNZBGIXKP-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136564
c1(NC(=O)c2cccc(c2)OCn2cc(cn2)Cl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_8871355,ZINC22_20606050,PC-id_19615664,MCULE-5311893152	431.893	IZNXYVXMVCKUHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136565
c1(NC(=O)C2CC(=NO2)c2cc(Cl)c(cc2OC)OC)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBL7959427,PC-id_2974412,MCULE-7088823085,TIMTEC412614,EMOLS-id_2010218	431.893	QTYVFRHZUDENIZ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-136566
COc1cc(OC)c(C2=NO[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1Cl	CoCoCo_552399,PC-id_1251483,ZINC22_1061440	431.893	QTYVFRHZUDENIZ-KRWDZBQOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-136567
COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1Cl	ZINC22_1061439,PC-id_1251482,CoCoCo_552398	431.893	QTYVFRHZUDENIZ-QGZVFWFLSA-N	00000011100000110001100010000000000000000000000000000000	25-01-136568
Cc1csc2nc(Cl)c(/C=c/3sc4nc(Cc5ccc(F)cc5)nn4c3=O)n12	EMOLS-id_324834559	431.894	AYWQDJRSGZHWIE-QPEQYQDCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-136569
Clc1ccc(cc1)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	EMOLS-id_45970428,ZINC22_16779446	431.894	GXBBOHONSYDFSX-NCQAQJBZSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136570
Clc1ccccc1c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	ZINC22_16807457,EMOLS-id_45970486	431.894	IOJCCYJILJBQSC-ZXTVHIMQSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136571
Clc1cccc(c1)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	ZINC22_27022467,EMOLS-id_45970470	431.894	DFNHGHRFSFEUNW-BOIKWEOWSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136572
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccccc1	MCULE-7267359642	431.894	IOJCCYJILJBQSC-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136573
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccccc1	MCULE-8721846775	431.894	GXBBOHONSYDFSX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136574
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccccc1	MCULE-5168743832	431.894	DFNHGHRFSFEUNW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136575
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)Cc1ccc(F)cc1	MCULE-4691580295	431.894	AYWQDJRSGZHWIE-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-136576
O=c1c(=Cc2ccc(c3ccccc3Cl)o2)sc2nc(/C=C/c3ccccc3)nn12	ZINC22_254748972	431.894	IOJCCYJILJBQSC-JIDSVBNTSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136577
O=c1c(=Cc2ccc(c3ccc(Cl)cc3)o2)sc2nc(/C=C/c3ccccc3)nn12	ZINC22_254834702	431.894	GXBBOHONSYDFSX-BPJVLKSPSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136578
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)CO)C)Cl	PC-id_134599080,SCHEMBL20252981	431.913	XUYSRAZVYOIGCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136579
NCN1CCN(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)Cl	PC-id_140052491	431.919	QGGUVMGULHLOQJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136580
Brc1c2c(sc1Br)C(NC(=O)CBr)CC2=O	PC-id_11690552	431.926	XHRSLTSRMJHRIO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136581
Brc1sc(Br)c2c1C(NC(=O)CBr)CC2=O	PC-id_11697719	431.926	GHGLKPLIGWZRNM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136582
Clc1ccc(C(=O)N2CCC(CC2)C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_26872906	431.936	KQVWKTMPIWROFT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136583
CCOC(=O)c1c(c2ccccc2Cl)csc1NC(=O)c1cc2c(s1)CCC2	ZINC22_3231226,MCULE-5236115710,EMOLS-id_43850069,CoCoCo_3345546,PC-id_2349369	431.956	JUPAZYNLTQIBFS-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-136584
c1(c2CCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccccc1Cl	MCULE-7260403638,ZINC22_16193063,CoCoCo_867535,EMOLS-id_2185528,PC-id_1328634	431.979	AQNJIVUYUHRQSG-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-136585
Clc1ccc(s1)S(=O)(=O)N1CCCCC1C(=O)Nc1nc2CCCc2s1	MCULE-8708570072,EMOLS-id_12192980,PC-id_16826652	431.98	ANOIQLJAXVTWLB-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-136586
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_44027713	431.98	VJPHJOZTKDIECO-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-136587
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1	PC-id_41674686,CoCoCo_5099311,ZINC22_10811777	431.98	ANOIQLJAXVTWLB-NSHDSACASA-N	00000010100110000001000010000000000000000000000000000000	25-01-136588
O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1	ZINC22_10811776,PC-id_41674685,CoCoCo_5099310	431.98	ANOIQLJAXVTWLB-LLVKDONJSA-N	00000010100110000001000010000000000000000000000000000000	25-01-136589
c1(NC(=O)CSc2scc(c3ccc(cc3)Cl)n2)sc2c(CCC2)c1C#N	EMOLS-id_324919069,MCULE-7865038739	431.982	ZWOSEHOKLMYHTA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136590
c1(NC(=O)CSc2scc(c3cccc(Cl)c3)n2)sc2c(CCC2)c1C#N	EMOLS-id_324879720,MCULE-8201418477	431.982	RHAFMGIVZZFUOV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136591
Ic1c2CC[Se]c2[se]c1CCCCC	PC-id_49844925	432.061	OZVWTMPSFFSDHB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136592
CC1=C(SC(=N1)C)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872099	432.093	ZVGCXJWOHBJTCO-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136593
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NC(=O)OCC4=CN=CO4	PC-id_151339104	432.1	OKBSFHXJFATRNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136594
OC(=O)C1CCc2c1nc(s2)Nc1c(Br)cc(cc1Br)C	PC-id_104287412	432.13	PXLLDGPLKYZWCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136595
CN1C2=C(CCC2)C(=N1)C(=O)NC34CC(C3)(C4)NC(=O)COC5=CC(=C(C=C5)Cl)F	PC-id_155264632	432.136	YTQAJZBWXBCGOO-UHFFFAOYSA-N	00001010100000110001001010000000000000000000000000000000	25-01-136596
CCCC/C(=CC)/C1(C(C(C2=C1C=C(S2)Br)C)C=C)/C(=C/C=C/C)/CC	PC-id_149143413	432.149	RIYASRPDMBWFHY-GXVXRKEPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136597
c1(NC(=O)c2cc(c(Br)s2)Br)sc2c(CCC2)c1C#N	MCULE-5731518666,PC-id_19205215	432.153	ASGARMVWAFSQMF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-136598
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)C(F)(F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164612377	432.157	BQYZPIJDDXNLQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136599
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)F)C(=O)C(=O)NC(C)(C)C(=O)N	PC-id_160141369	432.161	UMPNUSZTYHYGIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136600
BrC(c1sc2c(CCC2)c1)c1cc(OC)c(OC)cc1Br	PC-id_63440862	432.17	PXPYKNDCMPCJSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136601
COc1cc(Br)c(cc1C(c1sc2c(c1)CCC2)Br)OC	PC-id_105057440	432.17	NBZIXLLMKBVCFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136602
COc1ccc(c(c1Br)OC)C(c1sc2c(c1)CCC2)Br	PC-id_116466396	432.17	QDZDHJVPAFNBQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136603
CC1=CC(=CC=C1)CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)OC	PC-id_148222020	432.216	VEQWYEHZASDGIX-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136604
CC1=CC=CC=C1CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)OC	PC-id_160355377	432.216	UHFHPHWMEHHXIL-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136605
CC1CN(C2=C(C(=NN12)C)C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC=CC(=C4)C	PC-id_160238013	432.216	UIDASWODFLKOOJ-DJNXLDHESA-N	00000010100000110001000010000000000000000000000000000000	25-01-136606
CCCNC(=C)N1CC2=C(C1)N=C(N2)C(=N)C3=C(C=C(C=C3)C4=C(C=CC(=C4)F)CC)N	PC-id_154689162	432.244	PQOGIKXGTKBURA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136607
Fc1cc(Br)ccc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324844791	432.266	DDHXOPRUMULDMY-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136608
Fc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1Br	EMOLS-id_324844787	432.266	HJXKKTFFGLEDBX-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136609
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1ccccc1	MCULE-3003742908	432.266	DDHXOPRUMULDMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136610
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1ccccc1	MCULE-8780998776	432.266	HJXKKTFFGLEDBX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136611
COC(=O)C1CCn2c1c(Cl)c(c2C(=O)c1cccc(c1)S(=O)(=O)OC)Cl	SCHEMBL11002002	432.275	ZRFAALUYTQIWDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136612
Clc1c(OCC(=O)Nc2n(nc3c2CS(=O)(=O)C3)C(C)(C)C)ccc(Cl)c1	PC-id_3598609	432.321	YDHQWUBDPVTMNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136613
c1(NC(=O)CCc2oc(cn2)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322835133,MCULE-9864711547	432.323	OVSJZUKTZACFIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136614
c1(NC(=O)CCc2oc(cn2)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	MCULE-9177769048,EMOLS-id_322834877	432.323	MQAOIZYICINXBO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136615
Cc1cccc(C)c1OCc1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324872202	432.323	KBQWXSTXDOHLDO-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136616
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324870665	432.323	GEOBQVBMKBMRKX-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136617
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324873225	432.323	VJINIVOKNXKVHX-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136618
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)c1	EMOLS-id_324880399	432.323	LBAIFFMSSBHFPO-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136619
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)c1	EMOLS-id_324878862	432.323	GKBDBKZIGSPXFJ-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136620
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)c1	EMOLS-id_324881422	432.323	YEBWMXZMWKNVHA-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136621
Cc1cccc(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)c1C	EMOLS-id_324874253	432.323	ZYDJOIMAJAIFKY-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136622
Cc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)c1C	EMOLS-id_324876811	432.323	FFJAMYPLXAEVJI-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136623
Cc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)c1C	EMOLS-id_324875276	432.323	XLDFVXHVLYSJQE-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136624
CCc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324848881	432.323	WGSWRKZVRSJGRB-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136625
CCc1cccc(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)c1	EMOLS-id_324887563	432.323	SEHXRNNRJUHPHK-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136626
CCc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)c1	EMOLS-id_324890121	432.323	LRZXZPPKVKFUGG-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136627
CCc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)c1	EMOLS-id_324888586	432.323	XLMLFQNHKRRWNI-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136628
CCc1ccc(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	EMOLS-id_324886530	432.323	QHVPZOQUWLMURQ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136629
CCc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324889088	432.323	JDLOZCYHHXSTJQ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136630
CCc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_324887553	432.323	DQGVACPSWGDRGV-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136631
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccccc3C)/c(=O)n2n1	EMOLS-id_324911625	432.323	YQHNORSZEHGGAR-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136632
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(C)cc3)/c(=O)n2n1	EMOLS-id_324913159	432.323	DRUDTVONQJWEKZ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136633
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3cccc(C)c3)/c(=O)n2n1	EMOLS-id_324914696	432.323	DEMAWFBQCMYHBJ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136634
Clc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1Cl	EMOLS-id_324849912	432.323	WJOXFAOXAZQPPC-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-136635
Clc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c(Cl)c1	EMOLS-id_324851447	432.323	QFJNRTFOVLWSHY-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136636
Clc1cccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)c1Cl	EMOLS-id_324852984	432.323	VQVGWXCXARWLPA-VBKFSLOCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136637
Clc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)cc1	PC-id_16947407	432.323	VJKLHXNPFHNGJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136638
Clc1ccc(OCCCc2nc3s/c(=Cc4ccccc4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324914703	432.323	XAAFNBSUFXXPRJ-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136639
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)ccc1Cl	PC-id_16947106	432.323	JQCSVBVCUKLJBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136640
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)ccc1	PC-id_16947406	432.323	LFLWWTNZCXGAEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136641
n12c(=O)c(=Cc3ccc(cc3)C)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-4309653723	432.323	DRUDTVONQJWEKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136642
n12c(=O)c(=Cc3ccccc3C)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5776313988	432.323	YQHNORSZEHGGAR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136643
n12c(=O)c(=Cc3cccc(C)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-6002416525	432.323	DEMAWFBQCMYHBJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136644
n12nc(nc1sc(=Cc1ccccc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2341712578	432.323	XAAFNBSUFXXPRJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136645
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8404969302	432.323	WGSWRKZVRSJGRB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136646
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCCOc1ccccc1	MCULE-2163953226	432.323	VQVGWXCXARWLPA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136647
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1ccc(cc1)CC	MCULE-1389765679	432.323	QHVPZOQUWLMURQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136648
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1cccc(C)c1C	MCULE-1180872748	432.323	ZYDJOIMAJAIFKY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136649
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1c(C)cccc1C	MCULE-5936243420	432.323	KBQWXSTXDOHLDO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136650
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1cc(C)ccc1C	MCULE-7414163229	432.323	LBAIFFMSSBHFPO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136651
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1cccc(CC)c1	MCULE-4658032482	432.323	SEHXRNNRJUHPHK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136652
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)CCCOc1ccccc1	MCULE-3169221147	432.323	QFJNRTFOVLWSHY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136653
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1ccc(cc1)CC	MCULE-6541940312	432.323	JDLOZCYHHXSTJQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136654
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1cc(C)ccc1C	MCULE-5238235848	432.323	GKBDBKZIGSPXFJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136655
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1c(C)cccc1C	MCULE-8470163421	432.323	GEOBQVBMKBMRKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136656
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1cccc(C)c1C	MCULE-8867639651	432.323	FFJAMYPLXAEVJI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136657
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1cccc(CC)c1	MCULE-9552430900	432.323	LRZXZPPKVKFUGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136658
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)CCCOc1ccccc1	MCULE-4116932940	432.323	WJOXFAOXAZQPPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136659
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1ccc(cc1)CC	MCULE-8114898073	432.323	DQGVACPSWGDRGV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136660
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1c(C)cccc1C	MCULE-1222173772	432.323	VJINIVOKNXKVHX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136661
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1cccc(C)c1C	MCULE-1307968961	432.323	XLDFVXHVLYSJQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136662
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1cc(C)ccc1C	MCULE-6797293593	432.323	YEBWMXZMWKNVHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136663
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1cccc(CC)c1	MCULE-7072306479	432.323	XLMLFQNHKRRWNI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136664
Brc1c2n(CCC2C(=O)OCCCCCCC)c(c1)C(=O)c1ccccc1	SCHEMBL11004292,PC-id_20405017	432.351	YUJVAKQWJFHKFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136665
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)OC(C)C)cc2CCCC)cc1	PC-id_20351612,SCHEMBL11607411	432.351	KCJLBVCJNSAWHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136666
c1(CN(C2CCCC2)C(=O)c2cc(OC)ccc2Br)c2CCCc2n(C)n1	EMOLS-id_53872627,ZINC22_217908350,MCULE-1782573269,PC-id_86266566	432.354	OJZMOTIHQRZGJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136667
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ccc(cc1)Br	PC-id_111917823	432.361	GSUXFSBQXPMSCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136668
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)c1ccccc1Br	PC-id_111922359	432.361	VOODGQKJHCFNKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136669
c1(C(F)(F)F)nn(c(C)c1N(=O)=O)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_4773959,MCULE-1980645292,CoCoCo_6581560,ZINC22_2786238,TIMTEC57358,EMOLS-id_4117421	432.374	APAZAVKCCURGDP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136670
OC(=O)[C@H]1O[C@@H](OC(=O)c2ccc(cc2)NC2Cn3c(C2=O)ccc3)[C@@H]([C@H]([C@@H]1O)O)O	PC-id_102243757	432.381	MYSAVZNGSHKZKA-SUQQAIKCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136671
CC1(c2nn(c(c2CN1C(=O)O)NC(=O)c1c(cc(cc1)N(C)C)[N+](=O)[O-])C(=O)O)C	PC-id_91520927	432.387	CZJCRBOQIXUNEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136672
O=C(C(=O)c1c(C)c(c2n1CCC2)C(=O)OC(C)(C)C)N[C@@](C(F)(F)F)(C(=O)O)C	PC-id_139507372,SCHEMBL21378230	432.391	ZETATWDSBJYUJS-GOSISDBHSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136673
O=C(C(=O)c1c(C)c(c2n1CCC2)C(=O)OC(C)(C)C)NC(C(F)(F)F)(C(=O)O)C	PC-id_139507373,SCHEMBL21378231	432.391	ZETATWDSBJYUJS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-136674
CCCCc1c(CC)nc2n1CC(=O)N2C(=C)/C(=CC/C(=CC=C)/CC)/Br	PC-id_142157208	432.397	PTCDWJZWAYUIKM-DFCFSEMPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136675
NC1C[C@H](CC[C@@H]1c1cc(F)c(cc1F)F)CN1Cc2c(C1)nc(n2C)C(F)(F)F	PC-id_143517593	432.406	XHQUTTUBOYANQO-BBXPGFNESA-N	00000010100010110001100010000000000000000000000000000000	25-01-136676
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)(C)C(=O)N)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20253038,PC-id_134599129	432.421	XVVMMHXLYBZDKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136677
S(=O)(=O)(Nc1ccc(/C(=N/Cc2n3CCCc3nn2)/[O-])cc1)c1cc(F)c(F)cc1	PC-id_37334408	432.424	UHGWQXXWIDZVMF-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-136678
c1ccc(cc1)CC(C=O)N=C1c2c(oc(c2C(=O)O1)C(=O)C(Cc1ccccc1)N)O	PC-id_135718555	432.425	JODBZLGOYLXVCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136679
c1ccc(cc1)C[C@H](C=O)N=C1c2c(oc(c2C(=O)O1)C(=O)[C@H](Cc1ccccc1)N)O	PC-id_136023025	432.425	JODBZLGOYLXVCN-SJORKVTESA-N	00000010100000110000000010000000000000000000000000000000	25-01-136680
C1COC(=O)N1c1ccc(cc1)CC(=O)Nc1n[nH]c2c1CNC2C(=O)c1cnccc1	PC-id_91185094	432.432	BHPWCYNDUSPWMK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-136681
CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NC(=O)c1ccccc1	SCHEMBL2915073,PC-id_68439464	432.432	BCRHWPGUZXWFFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136682
O=C(C1NCc2[nH]nc(NC(=O)Cc3ccc(N4CCOC4=O)cc3)c12)c1cccnc1	SCHEMBL2920874,PC-id_68441420	432.432	URWQUGUYKDCVEO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-136683
O=C(N1Cc2c([nH]nc2NC(=O)Cc2ccc(N3CCOC3=O)cc2)C1)c1ncccc1	PC-id_68441417,SCHEMBL2920870	432.432	QIMRQDQOXIVPSZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-136684
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CCCC1)O[C@H](C(F)(F)F)C	SCHEMBL17213855,PC-id_118479011	432.439	UMZWACUGMROITJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136685
c1(NC(=O)COc2c(F)ccc(F)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343842,MCULE-5283495135	432.44	GZWVGZOVQLOKBR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-136686
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(c([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_45686955	432.447	SBFMJVCKYOPHTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136687
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_45696688	432.447	VUUFXVWHFZETTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136688
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])c(ccc1)C)C(=O)OCC	PC-id_2611987	432.447	UOPBWAITKCSFAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136689
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_41987122	432.447	PDXLEDYONYOEDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136690
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc([N+](=O)[O-])c(NC)cc1)C)C(=O)N	PC-id_24498633	432.45	XEZVHRHERFEOMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136691
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1)C(=O)N	PC-id_45664515	432.45	SPRFYCIUBVCLSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136692
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N(C)C)ccc([N+](=O)[O-])c1)C(=O)N	PC-id_45666017	432.45	JZLMUSVOFHDMSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136693
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNc1c([N+](=O)[O-])cccc1)C(=O)N	PC-id_55518733	432.45	OIBMZROFFKMBHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136694
c1(NC(=O)COc2nonc2CC(=O)NCCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_333688145,MCULE-3904219055	432.454	MMIPOIBXCQEJDH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136695
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCC(F)(F)F	PC-id_31106802	432.457	MUWHRULAMUVURK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136696
s1c2c(CCC2=O)c(Oc2c(F)cc(F)cc2)c1Nc1c2CCC(=O)c2sc1N	PC-id_16639330	432.464	KYCRZKIODAUBPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136697
CN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F	SCHEMBL6376594,PC-id_59508147	432.467	FJOMXQMGXZMEJM-LBPRGKRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136698
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328220535,MCULE-4565874940	432.468	KCPYPYWEAGOVKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136699
COC(=O)c1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc(c1)C(=O)OC	EMOLS-id_328219006,MCULE-9785874749	432.468	MJGJDPNLHSQPOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136700
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1ccc(F)cc1)C(=O)OCC	PC-id_49707827	432.469	OXUACYDGWBTJER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136701
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1c(F)cccc1)C(=O)OCC	PC-id_49708148	432.469	OJURDTGRSSFJJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136702
CC[N+]1(c2c(C(=N1)NC(=O)c1ccc(cc1)OC(C)C)sc(c2)C(=O)OC)C(=O)O	PC-id_91608991	432.47	UAPPQAFOIWHLEX-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-136703
c1(C(=O)NCc2cc(cc(C(=O)OC)c2)NC(=O)Cc2ccccc2)c2CCCc2[nH]n1	EMOLS-id_20475155,PC-id_42164762,CoCoCo_1235801,MCULE-7674868901,ZINC22_11784604,CoCoCo_1235800	432.472	ZOAGCEYDGYLYLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136704
O=C(N1Cc2c(C1)nn(c2NC(=O)c1ccccc1)C(=O)c1ccccc1)OC(C)(C)C	PC-id_141308592	432.472	REBPXLICKYZGHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136705
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)c1ccccc1)c1ccccc1	PC-id_141257333	432.472	BVSUOLSJUULJJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136706
O(C(=O)N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)c1ccccc1)C(C)(C)C	PC-id_71476792	432.472	NHUFJKDUMQHVPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136707
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_320625871,MCULE-6164225992	432.473	JCDDWDPPFTXKAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136708
c1(NC(=O)CS(=O)CC(=O)Nc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_320652782,MCULE-5735907654	432.473	IQYDDXQGJZAXGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136709
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1coc(n1)NC(=O)c1cccs1	PC-id_90515463	432.473	JWTMGPQNERCBAF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-136710
Cc1cc(ccc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C	PC-id_134599029,SCHEMBL20252930	432.475	XRXWDIXLCRUDSQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-136711
Cc1ccc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C	SCHEMBL20252936,PC-id_134599035	432.475	VLJSTTCDBCMDOQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-136712
C1Cc2nnc(n2C1C(=O)N1CCN(CC1)c1ncccn1)CNC(=O)c1ccccc1	PC-id_134787834	432.478	QMDLRFIUFZUMAY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136713
NC1=NCC=C(N1)Nc1cc(C#CC2(O)CCn3c2cnc3)ccc1C(=N)C(=O)N(C)C	PC-id_144439970	432.478	UBMDLQPGBOYRND-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-136714
CCC(=CC)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_144718909	432.482	KJQKEFFPNJYKTJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136715
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)c1cccc(F)c1	EMOLS-id_20586915,MCULE-4677331530,PC-id_45213473	432.49	UWKILJSSXXRZEH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136716
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_17097944,TIMTEC580423,CoCoCo_6832307,MCULE-6967365687,PC-id_17377345,EMOLS-id_4117639	432.49	YTEPMZAPEZOLLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136717
C/C=CC(=C/C=C)c1nc(cn1CC(=O)N1Cc2c(C1)nc(o2)C)c1ccc(c(c1)C)F	PC-id_145591969	432.49	BCEYRNSVNSQQQT-GGUTUHCVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136718
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CC(=O)O)C1C(O)CS(=O)(=O)C1	EMOLS-id_328339357,MCULE-3908156634	432.49	XEASAVRGTKYOHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136719
O=C(Nc1ccc(c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	CoCoCo_1398721,PC-id_42529623,ZINC22_12317165,CoCoCo_1398719	432.49	UWKILJSSXXRZEH-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136720
O=C(Nc1ccc(c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1	PC-id_42529622,CoCoCo_1398718,ZINC22_12317164,CoCoCo_1398720	432.49	UWKILJSSXXRZEH-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136721
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1cc(O)c(OC)cc1)C)C(=O)N	PC-id_52822534	432.49	ISGOHPFFWPGNRO-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-136722
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1cc(O)c(OC)cc1)C)C(=O)N	PC-id_52822535	432.49	ISGOHPFFWPGNRO-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136723
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCOc1ccc(OC)cc1)C)C(=O)N	PC-id_29677356	432.49	KOCVDKLUFRXRKS-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136724
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCOc1ccc(OC)cc1)C)C(=O)N	PC-id_29677359	432.49	KOCVDKLUFRXRKS-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136725
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCOc1c(OC)cccc1)C)C(=O)N	PC-id_52500503	432.49	DIFTUCPRCOBFEE-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136726
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCOc1c(OC)cccc1)C)C(=O)N	PC-id_52500505	432.49	DIFTUCPRCOBFEE-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136727
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCC)c(OCC)cc1)C(=O)N	PC-id_24355139	432.49	QYPVMXYZQUAAPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136728
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(OC)c(OCC)cc1)C)C(=O)N	PC-id_24498539	432.49	DFYUPAOFYZXENI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136729
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC(C)C)cc1)C(=O)N	PC-id_16501132	432.49	CEYLVGGPLKGOME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136730
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NCCO)cccc1)C(=O)OCC	PC-id_45647696	432.49	YRPLWTGIENYCEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136731
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)C)C)C(=O)OCC	PC-id_3948780	432.49	FAEBWIXTYRCXAA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-136732
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1cc(O)c(OC)cc1)C)C(=O)N	PC-id_75928379	432.49	ISGOHPFFWPGNRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136733
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCOc1ccc(OC)cc1)C(=O)N	PC-id_4527926	432.49	AMKZSVRTHVFNBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136734
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCOc1ccc(OC)cc1)C)C(=O)N	PC-id_74597263	432.49	KOCVDKLUFRXRKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136735
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1ccc(OCC)cc1)C(=O)N	PC-id_16535251	432.49	ZCAOWHZWYDPXDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136736
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCOc1c(OC)cccc1)C)C(=O)N	PC-id_75860045	432.49	DIFTUCPRCOBFEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136737
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)COc1ccc(OCC)cc1)C)C(=O)N	PC-id_24496678	432.49	UIPWHBAPUOFGOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136738
c1(NC(=O)c2ccc(cc2)C(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_6783535,MCULE-9806862837,ZINC22_720472,PC-id_1046123,CoCoCo_1966349	432.492	WCWADGJNDWNZGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136739
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1)C#N	PC-id_16503865	432.492	RKBRUNBOSXGMMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136740
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(COc2ccccc2)cccc1)C#N	PC-id_16520766	432.492	GNPJQJMIORWSHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136741
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OCc2ccccc2)cccc1)C#N	PC-id_16522879	432.492	FZIWFFVXCQDMBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136742
s1c2CCCc2c(c1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)C#N	PC-id_16500382	432.492	KEHUMQBCLIINGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136743
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1c(F)cccc1)C(=O)OC	PC-id_41237102	432.492	SYYJFEIXQYWUGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136744
C[C@@](CCN1Cc2cc(C#CC#CC3(CN)CC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4473223	432.493	WXFGKBFHLHPDBW-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-136745
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)NC)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484869,PC-id_135315399	432.493	ZJEGOONOBZYPCN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-136746
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484842,PC-id_135315378	432.493	ZGSSRMCYVIDZBN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-136747
CN1CC(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)C1	SCHEMBL20484841,CHEMBL4520045	432.493	ZGSSRMCYVIDZBN-HXUWFJFHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-136748
CNC1(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)CC1	PC-id_135315398,SCHEMBL20484868,CHEMBL4441947	432.493	ZJEGOONOBZYPCN-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-136749
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1	PC-id_44060414	432.493	CDRUOTCEOPRDSP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136750
c1(NC(=O)COc2cccnc2NC(=O)c2ccccc2C)sc2c(CCC2)c1C#N	MCULE-7457738336,EMOLS-id_321805946	432.495	MIFDMKRXYVMHIL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-136751
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(C)cc2)sc2c(CCC2)c1C#N	EMOLS-id_321802363,MCULE-1902606556	432.495	WNLLRHVMKHJQKO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-136752
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_321806202,MCULE-3704490088	432.495	JXHYWMYXKNVBDD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-136753
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321802364,MCULE-8069232062	432.495	JRBGGDCYLDISCJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-136754
CCOc1cnc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN([C@@H](C1)C)C)F	PC-id_68165791,SCHEMBL11918029	432.495	ZXQFAYUTGFUHJR-GFCCVEGCSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136755
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C(C1)C)C)F	SCHEMBL16627167,PC-id_72257725	432.495	VVUSQBNXNYZWQB-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136756
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN([C@@H](C1)C)C)F	PC-id_68597105,SCHEMBL3326762	432.495	VVUSQBNXNYZWQB-GFCCVEGCSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136757
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN([C@H](C1)C)C)F	SCHEMBL3327929,PC-id_59333929	432.495	VVUSQBNXNYZWQB-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136758
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2[C@H](CNC(C2)CCO)C)(C)C)nc(nc1)C	SCHEMBL11913292,PC-id_68164454	432.495	XLNLZGCGOILIPQ-AMGKYWFPSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136759
Fc1ncc(OCC)nc1Nc1n[nH]c2C(N(Cc12)C(=O)N1CC(N(CC1)C)C)(C)C	PC-id_77458175	432.495	ZXQFAYUTGFUHJR-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136760
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(F)cc1)C(=O)N	PC-id_24497003	432.495	MGYAXZYDLBMQRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136761
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1c(F)cccc1)C(=O)N	PC-id_24497010	432.495	OGJRZZLFVJKLAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136762
c1(NC(=O)COc2nonc2CC(=O)NCCCN(C)C)sc2CCCc2c1C#N	MCULE-6537127769,EMOLS-id_333685329	432.497	UFEDBAWYWVGCBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136763
c1(NC(=O)COc2nonc2C(=O)NCCN(CC)CC)sc2CCCc2c1C#N	MCULE-4518195176,EMOLS-id_333716540	432.497	UNDGOXCJWPXIAC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136764
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=S)Nc1ccc(cc1)OC	PC-id_91212734	432.497	BOKGVVVIVAYFRX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136765
s1c2c(CCC2)c(c1Nc1nc(N2CCN(CC2)CC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127564	432.5	BBTZRZIPRLFEDJ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-136766
C1CCC(C(C1)C(Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)F)O)C(=O)O	PC-id_135200271,SCHEMBL20353844	432.508	GMZLCFASSCERFB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136767
c1(NC(=O)CCC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385435,MCULE-6259839704	432.508	NXJSOBJXRQPOEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136768
c12SCCn1cc(CNC(=O)CCC1(CCC(=O)N1)Cc1ccc(c(OC)c1)F)n2	PC-id_45183361,EMOLS-id_20456009,MCULE-9565577043	432.512	DQMTVKOBJJQEGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136769
CCCC1c2c(N(C1=O)S(=O)(=O)C)ccn2S(=O)(=O)C1(CCCCC1)C(=O)O	PC-id_70078941,SCHEMBL7399045	432.512	LDEACVIKGFLGPP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136770
COc1cc(C[C@@]2(CCC(=O)NCc3cn4c(n3)SCC4)CCC(=O)N2)ccc1F	CoCoCo_1208559,ZINC22_11789864,PC-id_42170546	432.512	DQMTVKOBJJQEGO-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136771
COc1cc(C[C@]2(CCC(=O)NCc3cn4c(n3)SCC4)CCC(=O)N2)ccc1F	ZINC22_11789865,CoCoCo_1208558,PC-id_42170547	432.512	DQMTVKOBJJQEGO-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136772
COc1ccccc1C(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)CC(=O)O	EMOLS-id_328216446,MCULE-6805811918	432.512	MFACZNPCJWWNOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136773
c1(NC(=O)CS(=O)CCCOc2ccc(cc2)C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_320678765,MCULE-1711622099	432.513	PSLMMMIJMNTKHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136774
c1(NC(=O)CS(=O)CC(=O)c2ccc(OC)cc2OC)sc2c(CCC2)c1C#N	EMOLS-id_320679788,MCULE-7832673129	432.513	VINOKTMLQBHUKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136775
c1(NC(=O)CS(=O)CC(=O)OCCOc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320676203,MCULE-5601715845	432.513	HOJDLXQJOLHUME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136776
c1(NC(=S)NC(=O)c2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-2110429003,PC-id_4592662,CoCoCo_1738565,ZINC22_10455076,EMOLS-id_15047458	432.513	JHZHPGICSQGJBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136777
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#Cc1ccccc1)(C(=O)NO)S(=O)(=O)C	PC-id_137440921,SCHEMBL20678228	432.513	ORBGWCWJWLCZIU-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136778
CC(CCN1Cc2c(C1=O)sc(c2)C#Cc1ccccc1)(C(=O)NO)S(=O)(=O)C	PC-id_137440922,SCHEMBL20678229	432.513	ORBGWCWJWLCZIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136779
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCC3)NC(=O)N[C@H]1c1cccs1	PC-id_40940783,CoCoCo_2840899,ZINC22_9120579	432.513	GMWKBCBHRNURLI-KRWDZBQOSA-N	00000010100111000001100010000000000000000000000000000000	25-01-136780
NC(=O)COc1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110091	432.536	NGYJLVBLYZZPHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136818
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCC3)NC(=O)N[C@@H]1c1cccs1	ZINC22_12639442,CoCoCo_2840898,PC-id_25411703	432.513	GMWKBCBHRNURLI-QGZVFWFLSA-N	00000010100111000001100010000000000000000000000000000000	25-01-136781
CCOC(=O)C1=C(COC(=O)c2sc3c(c2)CCC3)NC(=O)NC1c1cccs1	EMOLS-id_3382847,PC-id_4785232,MCULE-7842893125	432.513	GMWKBCBHRNURLI-UHFFFAOYSA-N	00000010100111000001100010000000000000000000000000000000	25-01-136782
COc1cccc(c1)NC(=O)C[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)C	GD-id_ZINC14066281,PC-id_25934691	432.513	FXIQZAJXFBWVCK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-136783
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)c1occc1)C(=O)OCC	PC-id_2697685	432.513	KEVHLTCEMHIJTQ-UHFFFAOYSA-O	00000010101010000001000010000000000000000000000000000000	25-01-136784
s1c2CCCc2c(c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(cc1)C)C#N	PC-id_16495909	432.513	YLASUERYBCIGGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136785
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(ccc1)C(=O)OC)C(=O)OCC	PC-id_17175545	432.513	YWKURVRXUMOHHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136786
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(c2cccc(Cc3ccc(cc3)OCC)n2)C1	BDF-25249693,MCULE-6211138106,EMOLS-id_262507	432.515	ISKHSMHZRUCYQX-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136787
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(c2ccc(cn2)Cc2ccccc2OCC)C1	MCULE-9623648276,EMOLS-id_171646023,BDF-25255143	432.515	FSCQHTJBTRSFTA-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136788
Cc1ccc(cc1)N1CC(CC1=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109425	432.515	QLPBEFQWHSJWPV-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-136789
CCOc1ccccc1Cc1ccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)nc1	ZINC22_19692338	432.515	FSCQHTJBTRSFTA-QHCPKHFHSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136790
CCOc1ccccc1Cc1ccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)nc1	ZINC22_19692339	432.515	FSCQHTJBTRSFTA-HSZRJFAPSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136791
CCOc1ccc(Cc2cccc([C@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)n2)cc1	ZINC22_257246085	432.515	ISKHSMHZRUCYQX-HSZRJFAPSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136792
CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)n2)cc1	ZINC22_257246086	432.515	ISKHSMHZRUCYQX-QHCPKHFHSA-N	00000010100010111001100010000000000000000000000000000000	25-01-136793
O[C@@H]([C@@H]1N[C@@H](CC1)Cc1ccc(NC(=O)C2CCc3c2onc3C)cc1)c1cccnc1	PC-id_44466902	432.515	UHRXVJPNMFKKIL-AOWFSAADSA-N	00000010100000111001000010000000000000000000000000000000	25-01-136794
c1(NC(=O)CSc2nc(C)c(c(=O)[nH]2)CCC(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_322526065,MCULE-8551422273	432.516	OYURPEARWVCCDU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-136795
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nnc1c1ccco1	CoCoCo_6964939,SPECS-id_AO-476/43417560,ZINC22_8620081,MCULE-2165430958,EMOLS-id_30081366,PC-id_16497630	432.516	QUWFZBBMQRBFTG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136796
CCOC(=O)c1c(NC(=O)CSc2nncn2Cc2ccco2)sc2c1CCC2	MCULE-9937574982,EMOLS-id_27379235,CoCoCo_4460121,PC-id_40103531,ZINC22_32869302	432.516	GPOMSYPBPLVYEP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-136797
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)C)C(=O)OC	PC-id_19726062	432.516	PSFFBIRDGLJNEY-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136798
Clc1c(N2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_46603960	432.967	DDDNZVMFKJRTBU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136935
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)C)C(=O)OCC	PC-id_16516489	432.516	JIPQIHHKNIUIAN-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-136799
n12CCCc1nnc2CNC(=O)c1ccc(cc1)OC1CCN(CC1)Cc1ccccn1	ZINC22_12448698,EMOLS-id_20547731,CoCoCo_1340205,PC-id_25288950,CoCoCo_1340204,MCULE-8897990062	432.518	AJFRNPGZCRRFBZ-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-136800
O[C@@H]([C@@H]1N[C@@H](CC1)Cc1ccc(NC(=O)C2CCn3c2nnc3C)cc1)c1cccnc1	PC-id_44466904	432.518	XHJJZKLPRFPQPY-XWDTXVGXSA-N	00000010100000111001000010000000000000000000000000000000	25-01-136801
S(=O)([O-])NCC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CCO)CC)cc1)C)C)C	PC-id_71213744	432.52	RZPXBTVHEVLQQC-UHFFFAOYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-136802
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(n2nc(cc2C)C)nn1)C(=O)N	PC-id_55426475	432.523	REXXGTCGVCGYAA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-136803
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)NC	PC-id_22582892,CoCoCo_2590295,ChEMBL-DNDi_CHEMBLF1830-0111,ZINC22_17307102,MCULE-1419846360,EMOLS-id_16349169	432.533	PAEJWYRYMXYOSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136804
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386203,MCULE-9003156735	432.533	BWKWOIRKXWZWRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136805
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1488282014,EMOLS-id_334386461	432.533	YMCRLTQEFRYUFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136806
c1(NC(=O)COc2ccccc2OCC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7383718230,EMOLS-id_334387224	432.533	AKGDFELMADUDEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136807
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)C(=C(N)C)C(=O)C	PC-id_52540580	432.533	DRWBGTIDKFYKMP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136808
s1c2c(CCC2)c(c1NC(=O)c1cc(CN(CC(O)C)CC(O)C)ccc1)C(=O)O	PC-id_23107500	432.533	NQMJRHWYURTKDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136809
s1c2c(CCC2)c(c1NC(=O)CN(Cc1c(OC)cc(OC)cc1)C)C(=O)OCC	PC-id_2699071	432.533	OZMCJLHWPADFGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136810
c1(NC(=O)C(=Cc2ccc(cc2)OC)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-2281700668	432.535	GWFZBRJWNVVAPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136811
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-2619346135	432.535	WIRLXVFGVWSHFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136812
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#CCN1CCS(=O)(=O)CC1)C(=O)O	PC-id_57791563,SCHEMBL13786744	432.535	VHBDILWDEXLPQF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136813
CNC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)sc2CCCc12	EMOLS-id_334329821	432.535	WIRLXVFGVWSHFU-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136814
CNC(=O)c1c(NC(=O)/C(=Cc2ccc(OC)cc2)/c2ccccc2)sc2CCCc12	EMOLS-id_334329047	432.535	GWFZBRJWNVVAPA-HKWRFOASSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136815
Fc1cccc(c1)n1ccnc1SC(C(=O)Nc1sc2c(c1C(O)N)CCC2)C	SCHEMBL20936267,PC-id_138577863	432.535	DLKGBVXWMYTBRD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136816
COC(=O)Nc1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110080	432.536	ONWCKKLCGWTERP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136817
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1noc(c1)C)C(=O)OCC	PC-id_45769387	432.536	KDAHDVCBGFRXBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-136819
S1Cc2c(nn(c2NC(=O)c2ccc(OCCCC)cc2)CC(=O)NCCOC)C1	PC-id_44052992	432.536	DJALYNWGJMBDFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136820
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)cc2)CC(=O)NCCC)C1	PC-id_44052883	432.536	QBDDPVPOJGJOGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136821
S1Cc2c(nn(c2NC(=O)COc2ccc(C(C)C)cc2)CC(=O)NCCOC)C1	PC-id_44052956	432.536	RKOQDKMXCZKYHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136822
c12c(CCC1C(=O)N1CCN(CC1)c1ccccc1)sc(NC(=O)c1ccccc1)n2	Chemmine_45408,MCULE-9541526374,PC-id_16947026,EMOLS-id_12346113	432.538	KULCHSFIIPXIKR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136823
CCN(CC)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)cc4)nn3c2=O)cc1	EMOLS-id_45970488,ZINC22_27022495	432.538	QQSSHYFNNJHFPY-MPKIVNMISA-N	00000000100000110001000010000000000000000000000000000000	25-01-136824
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)C=Cc1ccc(cc1)OC	MCULE-2345017575	432.538	QQSSHYFNNJHFPY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136825
O=C(Nc1nc2c(s1)CC[C@H]2C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1	CoCoCo_5124686,ZINC22_8979645,PC-id_40894689	432.538	KULCHSFIIPXIKR-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136826
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1	PC-id_40894688,ZINC22_8979644,CoCoCo_5124687	432.538	KULCHSFIIPXIKR-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-136827
S1Cc2c(nn(c2NC(=O)C=Cc2ccccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053854	432.538	VHWASRJQIKYRIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136828
CCCS(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL4289235,PC-id_68988780	432.54	VQDZNIPXULYDDT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136829
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)C(C)C	PC-id_68988779,SCHEMBL4289230	432.54	ZGXATCPTBSHSTB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136830
S(=O)(=O)(N1Cc2c([nH]nc2N(N2CCN(CC2)C)C(=O)c2ccccc2)C1)C(C)C	PC-id_24751602	432.54	XRWMMFSEELBWEI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136831
CSC(=NOC(=O)N(SN(C(=O)ON=C1n2ccnc2SC1(C)C)C)C)C	PC-id_54528563,SCHEMBL11051988	432.541	YUWJNPUGJGAROM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136832
S1C(C(=NOC(=O)N(SN(C)C(=O)ONC(=C)SC)C)n2c1ncc2)(C)C	PC-id_57301862	432.541	VIBVQIQTFOLUQY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136833
CC/C=CC[C@@H](/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)O)O	SCHEMBL11136160	432.55	MSFZDNUBBNKDEE-VDDRYNIDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136834
O(C1C(c2c(oc(c2)CCCCC(=O)O)C1)C=CC(O)CC=CCC)C1OCCCC1	PC-id_77877256	432.55	MSFZDNUBBNKDEE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136835
O([C@H]1[C@@H](c2c(oc(c2)CCCCC(=O)O)C1)/C=C/[C@@H](O)CC=CCC)C1OCCCC1	PC-id_70523436	432.55	MSFZDNUBBNKDEE-FTMZWWNPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136836
CCOc1ccc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1OCC	MCULE-9157754185,EMOLS-id_328214902	432.555	HCGZFBLAYCPCNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136837
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_22198658	433.952	BYELEESHTSZRDC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137223
COc1ccc(cc1OC)C(C)(C)CNC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-9478513427,EMOLS-id_328217456	432.555	SQZLCAQVOJECQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136838
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)C(CCC)CCC	PC-id_44053612	432.555	MUUMQOXVUNRCLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136839
c1(NC(=O)CCC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332587,MCULE-8569936706	432.556	GSUHRCBBYQPXSG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-136840
c1(NC(=S)NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	PC-id_19188598,MCULE-8844357601	432.556	ITRSZKXUQKHFIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136841
c1(NC(=S)NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_19188399,MCULE-9216097597	432.556	LEXLPVNURPJXFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136842
c1(NC(=S)NC(=O)COc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_19188272,MCULE-6551811861	432.556	KXNXIUOAQIUNEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136843
c1(NC(=S)NC(=O)COc2cc(C)ccc2C)sc2c(CCC2)c1C(=O)OCC	MCULE-6957239100,PC-id_19188019	432.556	FZDRIWPNMXWIDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136844
COc1cc(OC)ccc1NC(=O)c1c(NC(=O)C[NH2+]C(C)(C)C)sc2c1CCC2	PC-id_2297430,GD-id_ZINC03001186	432.556	PHTWGWSDSHRIHN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-136845
s1c2c(CCC2)c(c1NC(=O)c1ccc(SC(C)C)cc1)C(=O)NC(=O)OCC	PC-id_41147719	432.556	QYRBOWBSWZCRKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136846
s1c2c(CCC2)c(c1NC(=O)c1cc(SC(C)C)ccc1)C(=O)NC(=O)OCC	PC-id_41147181	432.556	YKSHRGMIYCOTKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136847
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SCC)cc1)C(=O)NC(=O)OCC	PC-id_41139513	432.556	BPZIHLUKHXINQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136848
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)NC(=O)OC	PC-id_16838851	432.556	KPHVFVPEBCEWBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136849
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_41086297	432.556	ZMDOUZLJXVESRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136850
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccccc1)C(=O)NC(=O)OCC	PC-id_41085969	432.556	PTJMQHJGZIELCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136851
s1c2c(CCC2)c(c1NC(=O)CCCSCc1ccccc1)C(=O)NC(=O)OC	PC-id_41581251	432.556	NVTPXGSNKSTJKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136852
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC(C)C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_42562436	432.556	KRSJLYPWAJGBPQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-136853
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCSc1ccc(cc1)C)C)C(=O)N	PC-id_24495280	432.556	GWNYGYFNGIFEKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136854
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCCC)C(=O)OC	PC-id_20414014	432.556	DRLAQHWJWYFWDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136855
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCC)cc1)C(=O)OCC	PC-id_4938810	432.556	HBWBHSURXHCSON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136856
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1)C(=O)OCC	PC-id_4952193	432.556	FIQFESGFAABADO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136857
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OC(CC)C)cc1)C(=O)OC	PC-id_17141517	432.556	OGLVUJGCAIMZEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136858
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCCC)cc1)C(=O)OC	PC-id_4936529	432.556	UHKKRIYCUCZMBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136859
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1)C(=O)OC	PC-id_4937404	432.556	KXXABXAMUGASIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136860
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OC(C)C)ccc1)C(=O)OCC	PC-id_17142651	432.556	KEMKRZKDNUKENV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136861
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCC)ccc1)C(=O)OCC	PC-id_4960269	432.556	UACGFRHKLKGMFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136862
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCC(C)C)ccc1)C(=O)OC	PC-id_17140548	432.556	OZXAKIUGBKQWJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136863
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OC(CC)C)ccc1)C(=O)OC	PC-id_17150018	432.556	DMJFBVNTCAAMQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136864
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCCC)ccc1)C(=O)OC	PC-id_4957036	432.556	ASKRDZDUGHTMAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136865
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OC(C)C)cccc1)C(=O)OCC	PC-id_17045785	432.556	JPWDJHDPEQGIPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136866
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCC)cccc1)C(=O)OCC	PC-id_4948607	432.556	XRMFGHVNBLGUKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136867
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCCC)cccc1)C(=O)OC	PC-id_4941434	432.556	NQOZHZLAWUBNDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136868
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCC(C)C)cccc1)C(=O)OC	PC-id_4945862	432.556	CIJPXGQAPCKPRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136869
O=C1N(CCN2CCC(CC2)(c2ccccc2)C#N)C(=O)c2c1c(n(c2C)CCCC)C	PC-id_24848780	432.558	WUSYCZRASGBFMY-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-136870
CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-1454663459,CoCoCo_3584947,ZINC22_12999948,EMOLS-id_48935285,CoCoCo_3584948,PC-id_25660241	432.56	QULNHEPLPMDMHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136871
s1c2CCCc2c(c1NC(=O)CCN(C(c1ccc(S(=O)(=O)N)cc1)C)C)C#N	PC-id_55482302	432.56	YCAIUSRWSQUSLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136872
s1c2c(CCC2)c(c1NC(=O)CN1CCC(NC(=O)c2ccsc2)CC1)C(=O)N	PC-id_56069708	432.56	HOYJTMFCMYWBMJ-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-136873
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC=C)C(=O)OCC	PC-id_19726887	432.56	GAUYEFMUNHGMFW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-136874
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1c(SC)cccc1	PC-id_44053203	432.56	HXQUYDCMEWKMKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136875
OC[C@@H](COc1ccc(c(c1)OC)CCC(=O)c1sc(c2c1C[C@H](C2)C(C)C)C)O	PC-id_143172006	432.573	CGXGFDAGLDAJNZ-ROUUACIJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136876
C1CCC(CC1)CNC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	SCHEMBL20340346,PC-id_135188174	432.576	OTJPKUVVEHLSMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136877
CC1CCC(CC1)NC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC2	SCHEMBL20340298,PC-id_135188132	432.576	PGNPXFBYINHPNY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136878
C[C@@H]1CC[C@H](CC1)NC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC2	SCHEMBL20353999	432.576	PGNPXFBYINHPNY-MSBXVQKDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136879
CN(C1CCCCC1)C(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	SCHEMBL20340345,PC-id_135188173	432.576	BHAHYBJRSOBTPY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136880
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1C(CCCC1)C	PC-id_45663342	432.576	ZVLTWUSVIGXYOK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136881
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CC(CCC1)C	PC-id_45663379	432.576	HTAWITXCUOWCHE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136882
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCC(CC1)C	PC-id_45663380	432.576	QOHZQXLCZLCUEN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136883
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1C[C@@H](CCC1)C	PC-id_51481568	432.576	HTAWITXCUOWCHE-OAHLLOKOSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136884
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1C[C@H](CCC1)C	PC-id_51481569	432.576	HTAWITXCUOWCHE-HNNXBMFYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136885
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1[C@@H](CCCC1)C	PC-id_51481552	432.576	ZVLTWUSVIGXYOK-OAHLLOKOSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136886
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1[C@H](CCCC1)C	PC-id_51481553	432.576	ZVLTWUSVIGXYOK-HNNXBMFYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136887
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C(=O)NC1CCCC1)C	PC-id_45663351	432.576	WXQBPQKXCCCEMO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136888
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C(=O)NC1CCCC1)C	PC-id_51481556	432.576	WXQBPQKXCCCEMO-AWEZNQCLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136889
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C(=O)NC1CCCC1)C	PC-id_51481557	432.576	WXQBPQKXCCCEMO-CQSZACIVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136890
c1(NC(=O)Cc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329260,MCULE-6746885760	432.578	KKKFGECCPCETOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136891
c1(NC(=O)CCc2ccccc2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328236,MCULE-7799820404	432.578	GVJPDWBOQLMGJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136892
CCc1sc(c2ccccc2S(=O)(=O)C)cc1C(=O)Nc1nc2c(s1)CCC2	PC-id_56672288,CHEMBL1821939	432.579	GVEMGTNDSQTUIX-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-136893
COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@H](O)CN1CCSCC1	CoCoCo_1573386,ZINC22_11819987,PC-id_42197243,CoCoCo_1573388	432.579	JIRZNFIOGJFEHQ-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136894
COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@@H](O)CN1CCSCC1	PC-id_42197241,ZINC22_11819986,CoCoCo_1573387,CoCoCo_1573389	432.579	JIRZNFIOGJFEHQ-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136895
COc1cc(CNCc2n[nH]c3CCCc23)ccc1OCC(O)CN1CCSCC1	MCULE-4596047607,PC-id_45241075,EMOLS-id_20702117	432.579	JIRZNFIOGJFEHQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136896
NC(=O)c1c(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)sc2c1CCC2	PC-id_16335271,CoCoCo_4133647,ZINC22_9257109,CoCoCo_4133646,EMOLS-id_11775045,MCULE-3788068627	432.579	UZEDAPBCWQOMFX-UHFFFAOYSA-N	00000010100010000100000010000000000000000000000000000000	25-01-136897
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)CNC(=O)OC(C)(C)C)C#N	PC-id_56526213	432.579	YLBWHOWQTJULPW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136898
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)CNC(=O)OC(C)(C)C)C#N	PC-id_60254117	432.579	QTPGWHMMMWHZHX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136899
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)NC1CCCCC1)C(=O)N	PC-id_56172694	432.579	ONRUSSKYXJIKEU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136900
S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536286	432.579	FJINGLWGWALTAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136901
S(=O)(=O)(N(CCCC)CCCC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536313	432.579	LVOZOQRCBJZXMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136902
Cc1nc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n(C2CCCCC2)c1C	EMOLS-id_11829565,CoCoCo_3897561,MCULE-1946140581,ZINC22_9378308,PC-id_16374864	432.603	SFVIRMJOFISJJX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-136903
Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)n(C2CCCC2)c1C	PC-id_41235758,CoCoCo_4182774,ZINC22_9833431	432.603	GSORCVCSUJFBEL-CYBMUJFWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-136904
Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)n(C2CCCC2)c1C	PC-id_41273984,CoCoCo_4182773,ZINC22_9914100	432.603	GSORCVCSUJFBEL-ZDUSSCGKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-136905
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nc(c(n1C1CCCC1)C)C	EMOLS-id_11797909,MCULE-6952573922,PC-id_16353032	432.603	GSORCVCSUJFBEL-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-136906
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)CCc1sccc1)C)C(=O)N	PC-id_56068366	432.603	AKMYVTVVWBSQEK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-136907
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333359,MCULE-3065595942	432.619	JLGPNGYZTGBRHP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-136908
Cc1cc2c(s1)CCC2C(=O)N(c1ccc(cc1)C(C)C)Cc1ccc(cc1)N(C)C	PC-id_140052637	432.621	BLDQTKAHVYNBFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136909
COc1cc(I)c(Cl)cc1C(=O)NCc1nnc2n1CCC2	ZINC22_83915566,MCULE-9131094263,EMOLS-id_44527224,PC-id_71897336	432.644	CIQMEMJTHCPWMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136910
Clc1ccc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2ccc(F)cc2)cc1	PC-id_46872126	432.856	PHYNKBVARZQMPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136911
CN(C1CCc2c1sc(c2)Cl)C(=O)Nc1cc(ccc1)S(F)(F)(F)(F)F	PC-id_135309178,SCHEMBL20477550	432.859	ITMMJXVULVVAFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136912
CN([C@H]1CCc2c1sc(c2)Cl)C(=O)Nc1cc(ccc1)S(F)(F)(F)(F)F	SCHEMBL20477548,PC-id_135309176	432.859	ITMMJXVULVVAFW-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136913
Clc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OC(F)F	PC-id_20171846	432.892	WGFKAWWVCDFFPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136914
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)OCC=Cc1ccc(cc1)Cl	SCHEMBL5540722,PC-id_87852077	432.901	COTZFUFQLWRAPO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136915
CC=C(c1ccc(cc1)Cl)OC1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69480905,SCHEMBL5540720	432.901	HNQJAROPYFGLKZ-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136916
CC=C(c1ccc(cc1)Cl)OC1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C	PC-id_87852076	432.901	HNQJAROPYFGLKZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136917
Clc1ccc(cc1)/C=C/COC1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69480903,SCHEMBL5540716	432.901	COTZFUFQLWRAPO-ATKOVBFVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136918
Clc1ccc(C=CCOC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69480904	432.901	COTZFUFQLWRAPO-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136919
O=C(NCc1nnc2n1CCC2)c1cn(Cc2ccccc2)nc1c1ccc(Cl)cc1	PC-id_40124242,ZINC22_32889105,CoCoCo_4560498,EMOLS-id_24028996,MCULE-1225128212	432.905	KJRTVIJEGHTVMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136920
C1CC(C(C1)C(=O)O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	PC-id_135187049,SCHEMBL20339106	432.92	APSBQANXYMESGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136921
Clc1ccc(C2(CCC2)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_24346459	432.92	RGOMUQYQTJCGNA-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-136922
Clc1c(cc(OCCCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1)C	PC-id_24330663	432.92	SACKSNDLIZMHFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136923
Clc1ccc(cc1)S(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc2c(s1)CCC2	GD-id_ZINC20569970	432.924	RSCWHQUKARQEFR-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-136924
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)C(=O)C)cc1	PC-id_16947464	432.924	IBBVBAAVGTUDCU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136925
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCC(CC4)C(=O)N)c3n2)cc1	PC-id_16947482	432.924	FBCMJBCDNUEDAR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136926
Clc1cc(NC(=O)CN(CC(=O)Nc2sc3CCCc3c2C#N)C)c(OC)cc1	PC-id_2658232	432.924	BVOFUFRWNAIXPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136927
NC(=O)c1c(NC(=O)CSc2nccn2c2cccc(Cl)c2)sc2c1CCC2	CoCoCo_4181059,MCULE-5390952261,EMOLS-id_43974197,PC-id_24238671,ZINC22_12629300	432.947	YZVKLNZYHAOVCD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136928
NC(=O)c1c(NC(=O)CSc2nccn2c2ccc(Cl)cc2)sc2c1CCC2	MCULE-4422571031,ZINC22_9466600,CoCoCo_4179815,PC-id_16359776,EMOLS-id_11804297	432.947	ZCPZJRSBZNBCMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136929
C1CCC(C(C1)CO)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20339103,PC-id_135187046	432.963	NZAZZDOVUDYVGW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136930
c1(NC(=O)C2CC2c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9642254651,EMOLS-id_334391057	432.963	HREDCHLWJWWYQK-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-136931
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334337952,MCULE-4413860798	432.963	QUMDSKGWUCFPPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136932
CC1CCCCC1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)C(OC2)C	PC-id_142393497	432.963	ZWCBKHPWYLGYFM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-136933
Clc1cc(N2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1	PC-id_46630996	432.967	AFPVMJXONJQXIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-136934
NC(=O)c1c(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)sc2c1CCC2	CoCoCo_3684331,MCULE-7808919955,PC-id_16355542,EMOLS-id_11800231,CoCoCo_3684332,ZINC22_84367729	432.967	KIJHWKWHJCZNNM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136936
NC(=O)c1c(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)sc2c1CCC2	EMOLS-id_11794307,MCULE-2976469619,ZINC22_95351144,CoCoCo_3595909,CoCoCo_3595910,PC-id_16349520	432.967	SJYGFYSMBWOIIM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-136937
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CC=C(S3)Br	PC-id_164872159	432.977	OURMGPOQQDRGTK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-136938
c1(c2CCCc2sc1NCc1sccc1C)C(=O)Nc1c(OC)ccc(Cl)c1	EMOLS-id_8206939,ZINC22_2072951,CoCoCo_2720396,PC-id_1734491,SPECS-id_AE-848/42024891,MCULE-4041313468	432.987	VWBQVNGHGYSWPR-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-136939
Clc1c(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCCCCC2)cccc1	PC-id_27003073	432.987	AQNJIVUYUHRQSG-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-136940
CCCCCCCCCCCCS(=O)(=O)CCCC1NNc2c(c(nn12)C)Cl	PC-id_136103053	433.051	UUMSFJSTXRJGOX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136941
CC1=C(C=NN1CC(F)F)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4	PC-id_164872060	433.138	OSFXYOGZSXDRRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136942
CC1=C(C=NN1CCF)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4F	PC-id_164872033	433.138	VVVOOVQHFBNXSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136943
CC1=CN(N=C1SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4)CC(F)F	PC-id_164872325	433.138	UGPMAPMXAWBLTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136944
CCC(C)(C)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C)Cl	PC-id_160959072	433.157	BMMWIRFXVQXRMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136945
CCC1(CC1)NC(=O)C(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=C(C(=C4)F)F)F	PC-id_147173750	433.161	BYFWFZPGKSQFEG-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-136946
CC(C)(C)C1(CCC1)C(=O)NC2=NNC3=C2CN(C3)C(=O)NC4=C(C=CC=C4Cl)F	PC-id_153587067	433.168	DFFLTIHOWWWZNM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-136947
C1C[C@@H](C[C@@H]1CC2=CN=C(C=C2)NC(=O)[C@@H]3CCC4=C3N=CS4)[C@@H](C5=CC=CC=C5)O	PC-id_148210627	433.182	KJXXHUUQRFTFMP-MKSPYTNGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-136948
c12CN(Cc1nn(CC(F)F)c2I)C(=O)OCc1ccccc1	MCULE-4377025070,EMOLS-id_324344166	433.192	RYBPGYFVTMDYCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136949
CC(C1=NNC2=C1CNC2)N3C4=C(CNC4)C(=N3)C(C(F)(F)F)N5C6=C(CNC6)C=N5	PC-id_147788729	433.195	HJFCLJVHSVCHGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-136950
CCNC1=C(C=C(C=C1C#N)C2=NC(=NC=C2)NC3=C4CCCC4=NN3CCOC)CO	PC-id_155110774	433.223	QQTIKEMBHLAKQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136951
CCC1=CC(=C(C=C1C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)CC5CCC5)N)F)O	PC-id_154689186	433.228	KFUSCFUPUZUHJZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-136952
CCCC1=NC=C(C(=N1)NC2=NNC3=C2CN(C3(C)C)C(=O)C4(CCN(CC4)C)F)F	PC-id_148381361	433.24	LOFGINRITWBNOD-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-136953
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1ccccc1OC	MCULE-2786766856	433.404	ZHYXBKMDTGVVMO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136974
CC1CCCN(C1)C2=NC(=C(C=C2)CN3C=C(C=N3)C(=O)NC4CCC5=C(NN=C45)C)C	PC-id_153404011	433.259	KLECRNRWWYRLPG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-136954
CCC1(CN(C1)C2=NC(=C(C=C2)CN3C=C(C=N3)C(=O)NC4CCC5=C(NN=C45)C)C)C	PC-id_153404017	433.259	KZDLATXCOFEVLW-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-136955
O=C(Cn1nc(ccc1=O)c1ccc(cc1)Br)Nc1onc2c1CSC2	PC-id_121051147	433.279	NEZJYQBVSPWWSN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136956
CCNC(=NCc1cc(Cl)cc(c1OC(F)F)Cl)NCc1nnc2n1CCC2	PC-id_109663367	433.283	POSVTXPQKKCBNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136957
Ic1scc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_78949675	433.284	UZSKUMOGMCYQIE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-136958
N#Cc1c(/N=C/c2ccccc2)c(C(=O)Nc2ccc(Br)cc2)n2c1CCC2	CHEMBL4452428	433.301	GJDCXYCPFAYSCH-AFUMVMLFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136959
c1(OC)c(OC)cc(cc1Br)C=CC(=O)Nc1sc2CCCc2c1C#N	MCULE-4926934160	433.319	JFGDPVHUHAGJGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136960
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc(Br)c1OC	EMOLS-id_327838872	433.319	JFGDPVHUHAGJGV-VOTSOKGWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136961
Clc1c(SCc2cc(C(=O)NCc3n4CCCc4nn3)ccc2)cc(Cl)cc1	PC-id_52550855	433.354	RKKNZPPWXLIJED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136962
c1(NC(=O)CCCOc2ccc(cc2Br)CC)sc2c(CCC2)c1C#N	EMOLS-id_322625858,MCULE-8754264726	433.362	DBUPJEFPPJASAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136963
Cc1c(nc2n1CC(O2)COc1ccc(cc1)C(C)(C)C(C(F)(F)F)(F)F)C(=O)N	PC-id_86342473	433.372	DVJBONKVTZRTPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136964
Cc1ccc(cc1)S(=O)(=O)n1c2c(C=C(C2)OS(=O)(=O)C(F)(F)F)c(n1)C#N	PC-id_87885517,SCHEMBL5732702	433.382	QNKBWAFBTFLSSC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-136965
Cc1ccc(cc1)S(=O)(=O)n1c2c(CC(=C2)OS(=O)(=O)C(F)(F)F)c(n1)C#N	SCHEMBL5528123,PC-id_87849756	433.382	YCOZUTKRJBUBOZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-136966
CCNC(=NCc1nnc2n1CCC2)NCC(Cc1cccc(c1)Br)CC	PC-id_111791744	433.388	ZVLJNWXIARPSAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136967
COc1cc(/C=c/2sc3nc(nn3c2=O)C(F)(F)F)ccc1OCc1ccccc1	EMOLS-id_324907531	433.404	OQKZEZFUELMTIG-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136968
COc1ccccc1OCc1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324866575	433.404	RJPDYVSSIIKPLD-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136969
COc1ccccc1OCc1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324867087	433.404	ZHYXBKMDTGVVMO-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136970
COc1cccc(OCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)c1	EMOLS-id_324876801	433.404	JHMRPRCWZGDUNH-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136971
COc1cccc(OCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)c1	EMOLS-id_324877313	433.404	UBBOJGLCTIYCEO-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136972
n12c(=O)c(=Cc3ccc(c(OC)c3)OCc3ccccc3)sc1nc(C(F)(F)F)n2	MCULE-2231677350	433.404	OQKZEZFUELMTIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136973
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1ccccc1OC	MCULE-9948717410	433.404	RJPDYVSSIIKPLD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136975
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1cccc(OC)c1	MCULE-7115183602	433.404	JHMRPRCWZGDUNH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136976
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1cccc(OC)c1	MCULE-8047460003	433.404	UBBOJGLCTIYCEO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-136977
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)(C)C(=O)O)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20253037,PC-id_134599128	433.405	FVIWBLVUMUOSOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136978
[O-]C(=O)COc1cc(ccc1OCC(=O)[O-])C(=O)CNC(=O)c1sc2c(c1)C[NH2+]C2	GD-id_ZINC26576690	433.412	FFLJSYCDEKUGAR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-136979
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-9726403865	433.43	FRRAZLVOWURDLM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-136980
S(=O)(=O)(Nc1ccc(C(=O)NCc2n3CCCc3nn2)cc1)c1cc(F)c(F)cc1	PC-id_37334409	433.432	UHGWQXXWIDZVMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-136981
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N)cc1)C(=O)OCC	PC-id_24362733	433.435	QWUSPWNRGWEGBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136982
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_41426006	433.435	UMPWXXGZSLAXQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136983
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N)ccc([N+](=O)[O-])c1)C(=O)OCC	PC-id_35965192	433.435	CEUYFBSCYLDMTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136984
COC(=O)c1c(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC22_3254363,PC-id_2371106,MCULE-3062359155,EMOLS-id_3039975,CoCoCo_2930948,GD-id_ZINC03254363	433.45	TXIPVGXCYNOZHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136985
s1c2c(CCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1c(OC)ccc(OC)c1	PC-id_27527173	433.455	YEFHYEINHKDWAA-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-136986
ONC(=O)CN1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1	PC-id_44137438,SCHEMBL8027137	433.462	YYLCMAMNKJOFNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136987
ONC(=O)CN1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1	PC-id_44137437,SCHEMBL8027479	433.462	PUMRYSFUXKVBLM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-136988
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sccc1n1nnnc1)C(=O)OC	PC-id_52603543	433.462	DLZVHKPQHOKXSG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-136989
Cc1cc(ccc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nn1)C	SCHEMBL20252949,PC-id_134599048	433.463	YLRLBLXIFAHCPU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-136990
C1Cc2nnc(n2C1C(=O)N1CCN(CC1)c1ncccn1)CNC(=O)c1cnccc1	PC-id_134788367	433.466	OXWIEUQFBHYJNB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-136991
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CSC1)C)C(=O)Nc1cc(c(cc1)F)F	PC-id_134285229,SCHEMBL19900942	433.472	LAQGUADSNQVWPI-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-136992
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(C)Oc1cccc(OC)c1)C(=O)OC	MCULE-6402006555,PC-id_19203922	433.475	BEHRAEBDTQSNHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136993
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccccc1OCC)C(=O)OC	PC-id_2941703,ChEMBL-DNDi_CHEMBL7525670,EMOLS-id_2459395,MCULE-7021756788	433.475	GVIRYUNXUXAZSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136994
CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](C(=O)OC)CC2	PC-id_1643822,CoCoCo_939912,ZINC22_1912845	433.475	GVIRYUNXUXAZSI-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136995
CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2	ZINC22_956500,CoCoCo_939913,PC-id_1192516	433.475	GVIRYUNXUXAZSI-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136996
COC(=O)c1c(NC(=O)COC(=O)COc2ccc(C)cc2OC)sc2c1CCC2	PC-id_4878750,EMOLS-id_43790767,ZINC22_16045083,MCULE-8776040933,CoCoCo_3139957	433.475	DBELEASKXVACML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136997
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_3639537	433.475	JJZFUZXIHUSNJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136998
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCC)c(OC)cc1)C(=O)OC	PC-id_18269657	433.475	GNYYWWSDKXRBSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-136999
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_16524965	433.475	KMAHIXQZQAKOCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137000
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OCC)cc1)C(=O)OC	PC-id_16516081	433.475	COSABMUQCKZWAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137001
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cccc1OC)C(=O)OCC	PC-id_2513274	433.475	CUOGWHISYOXYMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137002
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(OC)cc1)C(=O)OCC	PC-id_16523427	433.475	AVDUUGALIUYHFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137003
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)c(OC)ccc1)C(=O)OCC	PC-id_2515802	433.475	ZDBOWLAEHKXXMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137004
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_45688548	433.475	DFYFRIFZNJQDSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137005
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(OC)cc1)C(=O)OCC	PC-id_24358223	433.475	CZXFHTBQEQNQHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137006
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(OCC)cc1)C(=O)OC	PC-id_42590273	433.475	NJVUFSMXEXLOJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137007
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(OC)cccc1)C(=O)OCC	PC-id_24358455	433.475	GJJQCDGFBOKMIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137008
CCOC(=O)c1c(c2c(s1)[S+]=C(C2=NC=Nc1ccc(cc1)F)C(=O)OCC)[NH-]	PC-id_136700368	433.476	DXWCZRDQFORPEO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-137009
CCOC(=O)c1cc(C(=O)c2ccccc2)n2c(=O)/c(=C/c3ccc(OC)cc3)/sc12	ZINC22_33436816	433.476	QFETZJNPCGHPBD-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137010
CCOC(=O)c1cc(n2c1sc(=Cc1ccc(cc1)OC)c2=O)C(=O)c1ccccc1	EMOLS-id_26189717,MCULE-6191676584	433.476	QFETZJNPCGHPBD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137011
COC(=O)c1c(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)sc2c1CCC2	CoCoCo_3314582,PC-id_16370158,ZINC22_12569664,EMOLS-id_43840876,MCULE-5882821803	433.476	QOIZVRAZUWMHHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137012
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(F)cc1)C(=O)OC	PC-id_4614242	433.476	WULSWFVODOJXSX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137013
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(F)cccc1)C(=O)OC	PC-id_4200013	433.476	ORXUPBZLURJSEO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137014
CC1(c2c(CN1C(=O)OC(CN(C)C)COC)c(n[nH]2)NC(=O)c1ccc(cc1)F)C	SCHEMBL15252847,PC-id_89801174	433.477	QOZINWTYXKXHID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137015
COC[C@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)CN(C)C	PC-id_58015591,SCHEMBL12879349	433.477	QOZINWTYXKXHID-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137016
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334393106,MCULE-4991649147	433.478	LWOULQIUEPZVFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137017
CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4958840,PC-id_16247095,EMOLS-id_26030712,MCULE-2883709038,ZINC22_9120026	433.478	LBQKUPYSWJWNMR-INIZCTEOSA-N	00000010101000000000000010000000000000000000000000000000	25-01-137018
C[C@@](CCN1Cc2cc(C#CC#CC3(CO)CC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18730007,EMOLS-id_337773798,CHEMBL4448404	433.478	ROJCZRUQKASCDT-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-137019
C[C@@](CCN1Cc2cc(C#CC#C[C@@H]3C[C@H]3CO)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18729952,CHEMBL4437339	433.478	GDQRXRBEHLAKGY-GQIGUUNPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-137020
C[C@@](CCN1Cc2cc(C#CC#C[C@H]3C[C@@H]3CO)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20474987,CHEMBL4438243,PC-id_135306913	433.478	GDQRXRBEHLAKGY-RZQQEMMASA-N	00100010100000000001000010000000000000000000000000000000	25-01-137021
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20474990,PC-id_135306916	433.478	GDQRXRBEHLAKGY-QRFGBVCESA-N	00100010100000000001000010000000000000000000000000000000	25-01-137022
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1C	MCULE-9978030984,CoCoCo_2816436,EMOLS-id_3378735,ZINC22_9120027,PC-id_4306401	433.478	USKFYXLHRPDLIB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-137023
Fc1ccc(cc1)c1cc(n(n1)C)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109465	433.478	IPRBCADJYVKSSY-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-137024
OC[C@@H]1C[C@H]1C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729954	433.478	GDQRXRBEHLAKGY-BUWRGNEYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-137025
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)[C@@H](C(C)C)NC(=O)c1ccco1	PC-id_51556154,CoCoCo_4958841	433.478	LBQKUPYSWJWNMR-MRXNPFEDSA-N	00000010101000000000000010000000000000000000000000000000	25-01-137026
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CO)CC1)C	SCHEMBL18730009	433.478	ROJCZRUQKASCDT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-137027
s1c2CCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_27684706	433.478	NPICDXZIPJFNFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137028
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c(nn(c1=O)C)C)C)C(=O)OCC	PC-id_55536270	433.478	VKPLACLBONODNY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137029
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OC)CC)C(=O)N	PC-id_30208568	433.478	ZPQJKMMOTQFMBC-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-137030
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C(=O)N	PC-id_4012536	433.478	PCEDDNGSFPSCJB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-137031
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(CCCC)c(=O)cc1)C(=O)OC	PC-id_30547996	433.478	SHIONQJFPMORKN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137032
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)C(C)C)C(=O)N	PC-id_4785375	433.478	LBQKUPYSWJWNMR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-137033
c1(NC(=O)c2cc(on2)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_16455574,TIMTEC409386,MCULE-2222467104,CoCoCo_2254449,EMOLS-id_9874124,ZINC22_11916701	433.48	QQKBBGDVEQJDQJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-137034
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C#N	MCULE-3142187286	433.48	ZNNKBPMWHXRGHJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137035
c1(NC(=O)COc2ccc(cc2)NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C#N	MCULE-3265004028	433.48	XFIZBOKAWYMBIU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137036
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OC(=O)C	ZINC22_27021649,EMOLS-id_45970144	433.48	SALSIGFPIOUSKN-MGFARZDGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137037
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1OC(=O)C	EMOLS-id_45966213,ZINC22_9972190	433.48	CNIDKYOGSOKBBH-ALNGHYEBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137038
COC(=O)c1c(NC(=O)CSc2nnnn2c2ccccc2F)sc2c1CCC2	CoCoCo_6439897,PC-id_16448234,MCULE-6774315634,ZINC22_12293291,EMOLS-id_9853498	433.48	LNWVPBBJQCTBEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137039
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)C	MCULE-5816720633	433.48	CNIDKYOGSOKBBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137040
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)C=Cc1ccccc1	MCULE-3837737579	433.48	SALSIGFPIOUSKN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137041
N#CCC(N1C(=O)c2c(C1=O)c(sc2)N)c1ccc(c(c1)OC)OCc1ccccc1	SCHEMBL2991973,PC-id_68468996	433.48	RVGORAFXWYSIQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137042
O=C(COc1cccc(NC(=O)/C=C/c2ccco2)c1)Nc1sc2CCCc2c1C#N	EMOLS-id_323162539	433.48	ZNNKBPMWHXRGHJ-MDZDMXLPSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137043
O=C(COc1ccc(NC(=O)/C=C/c2ccco2)cc1)Nc1sc2CCCc2c1C#N	EMOLS-id_323253781	433.48	XFIZBOKAWYMBIU-ZHACJKMWSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137044
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(F)cc1)C(=O)OC	PC-id_18874253	433.48	ULOPCFMYNQFEDF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137045
c1(NC(=O)COc2nonc2CC(=O)NCCCCCO)sc2CCCc2c1C#N	EMOLS-id_333685841,MCULE-2504375176	433.481	JEKVDAOTBYKYRV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137046
c1(NC(=O)COc2nonc2CC(=O)NCCCOCC)sc2CCCc2c1C#N	MCULE-4388949299,EMOLS-id_333681503	433.481	WLBREQUXOVGVAW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137047
c1(NC(=O)COc2nonc2C(=O)NCCCCCCO)sc2CCCc2c1C#N	EMOLS-id_333715518,MCULE-6705235571	433.481	ROMGQRYXTZIUNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137048
c1(NC(=O)COc2nonc2C(=O)N(CCCC)CCO)sc2CCCc2c1C#N	MCULE-5370635892,EMOLS-id_333661130	433.481	KRZOTXDXEYLWJJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137049
c1(NC(=O)COc2nonc2C(=O)NCCCOC(C)C)sc2CCCc2c1C#N	MCULE-2541384084,EMOLS-id_333713469	433.481	WWGLNANVSJEDPA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137050
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccncc2)sc2c(CCC2)c1C#N	MCULE-7151501802,EMOLS-id_321806962	433.483	CQIMBIXKKQWISY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-137051
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321804668,MCULE-4065746153	433.483	GVASUUHKLUQPPF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137052
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1csc2c1S(=O)(=O)C(C2)C	SCHEMBL9833109,PC-id_14153197	433.483	QSSMHUORZSIRLZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137053
s1c2c(CCC2)c(c1Nc1nc(N2C[C@@H](O[C@@H](C2)C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127536	433.485	IBXBWIAYGGXQRQ-DTORHVGOSA-N	00000010100010100001100010000000000000000000000000000000	25-01-137054
s1c2c(CCC2)c(c1Nc1nc(N2C[C@@H](O[C@H](C2)C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127537	433.485	IBXBWIAYGGXQRQ-IUCAKERBSA-N	00000010100010100001100010000000000000000000000000000000	25-01-137055
s1c2c(CCC2)c(c1Nc1nc(N2C[C@H](O[C@@H](C2)C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127538	433.485	IBXBWIAYGGXQRQ-RKDXNWHRSA-N	00000010100010100001100010000000000000000000000000000000	25-01-137056
s1c2c(CCC2)c(c1Nc1nc(N2CC(OC(C2)C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787949	433.485	IBXBWIAYGGXQRQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-137057
Fc1ccc(cc1)C#Cc1sc2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)CCC2	PC-id_138670559,SCHEMBL21040902	433.495	RLVBPFUILMDXFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137058
Fc1ccc(cc1)C#Cc1sc2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)CCC2	SCHEMBL21040901,PC-id_138670558	433.495	RLVBPFUILMDXFQ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137059
CCOc1ccc(cc1F)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109640	433.496	HRKLDCOZNODQRM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-137060
CCOC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)sc2c1CCC2	CoCoCo_3588389,ZINC22_3383693,MCULE-6961149787,PC-id_2501978,EMOLS-id_3296038,CoCoCo_3588388	433.496	UMKWNPRDBZWYQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137061
[2H]CN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	PC-id_141517598	433.5	ZGSSRMCYVIDZBN-JTBOCFKXSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137062
[2H]CN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL20485300,PC-id_135315772	433.5	ZGSSRMCYVIDZBN-VMNATFBRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137063
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CC(O)C2)sc2CCCc2c1C#N	EMOLS-id_333772115,MCULE-9626070410	433.501	LADHFISQCFVXCA-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-137064
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1)C#N	PC-id_16521027	433.501	SKRWVFRQSYCWEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137065
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NCC)ccc1)C#N	PC-id_24347997	433.501	AVXGRXVAXCGOPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137066
CC1(c2c(CN1C(=O)NC(COC)c1ccccc1)c(n[nH]2)NC(=O)c1ccccc1)C	SCHEMBL15252740,PC-id_89801069	433.503	DDUJATJSSZPCCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137067
COC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	SCHEMBL12879462,PC-id_58015596	433.503	DDUJATJSSZPCCU-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137068
O1[C@](CN2CCN(CC2)Cc2ccc(cc2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479321,SCHEMBL5535434	433.503	JLZKBUNBQPYDOG-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-137069
O1C(CN2CCN(CC2)Cc2ccc(cc2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69479322,SCHEMBL5535437	433.503	JLZKBUNBQPYDOG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137070
O1[C@@](CN2CCN(CC2)Cc2ccc(cc2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5543964,PC-id_69481689	433.503	JLZKBUNBQPYDOG-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137071
CCOC(=O)c1c(NC(=O)CSc2nnc(c3ccco3)n2N)sc2c1CCC2	MCULE-1662064211,EMOLS-id_3140196,ZINC22_3352852,PC-id_2469966,CoCoCo_2848919	433.505	WINGNPSKDGCKSI-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-137072
c1(NC(=O)CSc2nc(c3ccccc3)c(c(=O)[nH]2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_27062865,CoCoCo_2244142,PC-id_135928383,MCULE-3638541843,ZINC22_9042000	433.506	ZAGBBMUNPCTAQO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137073
Cc1nn(c(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1)C	SCHEMBL12879437,PC-id_89800939	433.506	ALJXVNGGLMITKZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137074
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(nn1C)C)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL15252610	433.506	ALJXVNGGLMITKZ-DOTOQJQBSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137075
s1c2c(CCC2)c(c1Nc1nc(N2CC[NH+](CC2)CC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127563	433.508	BBTZRZIPRLFEDJ-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-137076
O=C(Nc1ccccc1)c1c(NN=C2C(=Nn3c2nnc3C(C)C)C(C)(C)C)n[nH]c1C	PC-id_59247792	433.509	JUGIQWCULGXFIK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-137077
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)OC	CoCoCo_683098,GD-id_ZINC01199989,ChEMBL-DNDi_CHEMBL5693452,PC-id_1358398,MCULE-9513123920,ZINC22_1199989,EMOLS-id_2095123,TIMTEC64294	433.518	AVPFJBAPKACBCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137078
c1(NC(=O)CSc2scc(c3ccc(c(F)c3)F)n2)sc2c(CCC2)c1C#N	EMOLS-id_324908379,MCULE-9471749795	433.518	HNGWEIUDELBGRA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137079
c1(NC(=O)CSc2scc(c3cc(F)ccc3F)n2)sc2c(CCC2)c1C#N	MCULE-8591841018,EMOLS-id_324905302	433.518	YNYTTWXNZNSWNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137080
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_4454805,MCULE-9882113556	433.519	MKBPWWOULFQWAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137081
COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)/c2ccccc2)sc2c1CCC2	ZINC22_408576318	433.519	SGLMONUNMJTINY-HMMYKYKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137082
s1c2c(CCC2)c(c1N(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1)C(=O)OC	PC-id_22305666	433.519	XZKDNQVVYXEWLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137083
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1)C(=O)OC	PC-id_1652262	433.519	MKBPWWOULFQWAR-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137084
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-4473325168,ZINC22_10337431,PC-id_16831598,EMOLS-id_12048010,CoCoCo_5199841	433.52	PCKAQZODJSPHEE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-137085
N#Cc1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)sc2c1CCC2	PC-id_2462317,MCULE-3770625900,CoCoCo_3268221,EMOLS-id_3170304,ZINC22_3345666	433.52	ITNJUPQZDPNWJZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-137086
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(F)cc1	PC-id_16861555	433.52	CFJSDYZGXKLWMU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-137087
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(nc1)OCCOC(C)(C)C	PC-id_92087053	433.521	NBUJCOYIAPCXLL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137088
Fc1c(C(=O)Nc2ccc(N3CCC(NCc4n[nH]c5c4CCC5)CC3)cc2)cccc1	CoCoCo_1494211,CoCoCo_1494213,CoCoCo_1494212,CoCoCo_1494210,PC-id_42472340	433.521	ZWMKAFGSQKMHQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137089
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NCC=C	PC-id_45663348	433.521	UMLRGWIXJCZBKG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137090
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1c(n(nc1C)C)C)C(=O)OCC	PC-id_55472627	433.521	PKRBGTCXLSUDRZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137091
c1(NC(=O)c2ccc(cc2)OCC=C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883996,MCULE-5366835531	433.523	SPWFBNRQRCNZSB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137092
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-3089450591,PC-id_73468644	433.523	MEZSZBKOUUWYIA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137093
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_331631043,MCULE-4705195789	433.523	BLNWQILQNMJNQC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137094
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccc(cc2)C)sc2CCCc2c1C#N	EMOLS-id_331632069,MCULE-8964844747	433.523	LAVNHMHFMWBKSR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137095
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2cccc(C)c2)sc2CCCc2c1C#N	MCULE-9803065718,EMOLS-id_331630531	433.523	HDCCZGLJZIGNNK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137096
c1(NC(=O)COc2cn(c(cc2=O)C)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-2738297149,EMOLS-id_331630018	433.523	VKCWZTDXFMAZMT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137097
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_45970116,ZINC22_27021581	433.523	JIMZDUXRJWYZMR-GQWRFYPMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137098
CCCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OCC	ZINC22_16807427	433.523	XYXXPIXRNVNZMM-CSEDCYJQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137099
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OCC	ZINC22_27021574,EMOLS-id_45970114	433.523	XYXXPIXRNVNZMM-GQWRFYPMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137100
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_324919297	433.523	PTLRUVPKFLHTCT-VEYSXCRSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137101
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OCC	EMOLS-id_324922880	433.523	PSAPOSYZRDXIGF-COYSUQGBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137102
CCOC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C#N)c1C	EMOLS-id_328222325,MCULE-6212502324	433.523	PSEGRLMEHPDMAB-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-137103
CN(C)Cc1ccc(o1)CC(CN=C1c2cscc2S(=O)(=O)N1)S(=O)(=O)O	PC-id_135911707	433.523	DRAYQQZGBAZRNA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-137104
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)cc1OC	ZINC22_16742089,EMOLS-id_45965681	433.523	ZTRNAIQFNOQWAO-UCBHFQESSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137105
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3279017977	433.523	ZTRNAIQFNOQWAO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137106
n12nc(nc1sc(=Cc1ccc(cc1)OCCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-3817227014	433.523	IIBVDXNKEQRZRU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137107
n12nc(nc1sc(=Cc1ccccc1OCCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-9201867924	433.523	WPVLODJFWLARJD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137108
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)C=Cc1ccccc1	MCULE-4206399815	433.523	PHKNETOBOUIPPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137109
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCC)c2=O)C=Cc1ccccc1	MCULE-5698767971	433.523	JIMZDUXRJWYZMR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137110
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)C=Cc1ccc(cc1)C	MCULE-4240641843	433.523	PSAPOSYZRDXIGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137111
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)C=Cc1ccccc1	MCULE-2610369082	433.523	XYXXPIXRNVNZMM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137112
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-1758345066	433.523	PTLRUVPKFLHTCT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137113
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc(OC)cc1)C(=O)NCc1cccnc1	PC-id_18883981	433.523	MEZSZBKOUUWYIA-FMIVXFBMSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137114
s1c2c(CCC2)c(c1NC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccccc1)C(=O)N	PC-id_2428979	433.523	SETGVUOTIITUNZ-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137115
s1c2c(CCC2)c(c1NC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)C(=O)N	PC-id_5039608	433.523	SETGVUOTIITUNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137116
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(n(c(c1)C)c1c(cccc1)C)C)C#N	PC-id_18287644	433.523	BZTNTRUSNONROX-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-137117
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CN1CCc2n1ccn2)O	PC-id_67856408,SCHEMBL9461463	433.524	DBIIEJBRQPMPLA-VDXKCRADSA-N	00001011100000000001001010000000000000000000000000000000	25-01-137118
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CN1CCn2c1ccn2)O	PC-id_57168106,SCHEMBL9461458	433.524	RWZBQIWAGCJWOQ-VDXKCRADSA-N	00001011100000000001001010000000000000000000000000000000	25-01-137119
COc1cccc(c1)S(=O)(=O)N1Cc2c(C1)c(nn2C)C(=O)N1CCCN(CC1)C	EMOLS-id_207863249,MCULE-9259983303	433.524	BCJQDZCDNHREIP-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-137120
COc1ccc(cc1S(=O)(=O)N1CCCCC1C)C(=O)NCc1nnc2n1CCC2	EMOLS-id_24969577,MCULE-1602330808,PC-id_42934305	433.524	OBLNIOOKVVUIHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137121
COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1S(=O)(=O)N1CCCC[C@@H]1C	CoCoCo_4560407,ZINC22_32889083,PC-id_40124219	433.524	OBLNIOOKVVUIHG-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137122
COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1S(=O)(=O)N1CCCC[C@H]1C	PC-id_40124221,CoCoCo_4560406,ZINC22_32889085	433.524	OBLNIOOKVVUIHG-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137123
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1nnc2n1CCC2	ZINC22_32873616,EMOLS-id_25024215,CoCoCo_4474367,PC-id_40108036,MCULE-4822021299	433.524	TUEBFLXONLIVHL-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-137124
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)/C(=C/c2sccc2)/SC1=O)C(=O)N	PC-id_42261872	433.524	JEKFZBJDRCSTOH-GHXNOFRVSA-N	00000010100100000001000010000000000000000000000000000000	25-01-137125
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(=Cc2sccc2)SC1=O)C(=O)N	PC-id_74786402	433.524	JEKFZBJDRCSTOH-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-137126
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1CC(NC1)CN1CCn2nccc12	PC-id_76486624	433.524	RWZBQIWAGCJWOQ-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-137127
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1CC(NC1)CN1n2c(ncc2)CC1	PC-id_77367446	433.524	DBIIEJBRQPMPLA-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-137128
CC(C)(C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)c1c(nccc1)C=S	PC-id_87455697,SCHEMBL2921776	433.526	JUHVEQFQSBCCLY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-137129
O(C1CC[NH+](CC1)Cc1ncccc1)c1ccc(cc1)C(=O)NCc1n2CCCc2nn1	PC-id_25288949	433.526	AJFRNPGZCRRFBZ-UHFFFAOYSA-O	00000010100010111001000010000000000000000000000000000000	25-01-137130
OCCN(c1ccc(c(c1)C)/N=C
/C(=Nn2c1nc(n2)C(CNS(=O)=O)C)C)CC	SCHEMBL14607499	433.528	RMAMFJHDEUUFLU-FXBPSFAMSA-N	00000011100000110001000010000000000000000000000000000000	25-01-137131
S(=O)(O)NCC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CCO)CC)cc1)C)C)C	PC-id_71213745	433.528	RZPXBTVHEVLQQC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-137132
O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1)COC(=O)c1sc2c(c1)CCC2	MCULE-7932341946,PC-id_4779617,EMOLS-id_3388261	433.541	RXZQAWHNGSNLLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137133
O=C(OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCC2	PC-id_2550794,ZINC22_3431260,CoCoCo_2840863	433.541	RXZQAWHNGSNLLE-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137134
O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCC2	ZINC22_12642983,CoCoCo_2840864,PC-id_6600383	433.541	RXZQAWHNGSNLLE-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137135
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c(CCC2)c1C(=O)NC	MCULE-8805591243,EMOLS-id_22708538,PC-id_27422091,CoCoCo_5058633,ZINC22_16916876	433.544	WUPVMYGYDYUPBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137136
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CC)CC)sc2CCCc2c1C#N	MCULE-8291181433,EMOLS-id_333772116	433.544	IKMNEFMDVRHGPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137137
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCO)sc2CCCc2c1C#N	EMOLS-id_331791036,MCULE-3141880218	433.544	BWGODOMKNJZJOW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-137138
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CC)sc2CCCc2c1C#N	MCULE-4904179114,EMOLS-id_331791795	433.544	SZRKMMRVYXZCMH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-137139
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1	PC-id_26723406,ZINC22_15636945,CoCoCo_4164295,MCULE-2661348800,EMOLS-id_17194424	433.544	SEJVKLXZZBAQJF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137140
N12C(=C([C@@H]([C@@H]1[C@H](C2=O)[C@H](O)C)C)S[C@H]1C[C@H](NC1)Cc1cn2[n+](c1)CCC2)C(=O)O	CHEMBL1178527,PC-id_44279728	433.544	MIQVCHRVWKQNSH-JEFOHARNSA-O	00001011100000000001001010000000000000000000000000000000	25-01-137141
NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCC2	EMOLS-id_11656230,CoCoCo_3218629,ZINC22_3268330,MCULE-3832746435,PC-id_2384682	433.544	QHVSCKAWCKCYBM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-137142
O=C(c1cccc(OCCCNC2=NS(=O)(=O)c3cscc23)c1)N1CCCCC1	CHEMBL37224,PC-id_135898801	433.544	OELAEAGFRMWIPA-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-137143
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1noc(c1)C)C(=O)OCC	PC-id_51907640	433.544	KDAHDVCBGFRXBQ-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-137144
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1CC(NC1)Cc1c[n+]2n(c1)CCC2	PC-id_74967865	433.544	MIQVCHRVWKQNSH-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-137145
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(cc1)C	PC-id_16827345	433.544	UJIFLFALYIHFLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137146
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccccc1	PC-id_16861563	433.544	JIMKVPFTHNCZOH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-137147
c1(NC(=S)NC(=O)c2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_1831469,PC-id_2983986,ZINC22_12860860,SPECS-id_AN-153/I250684,CoCoCo_577336,MCULE-7556043094	433.546	ZIDJIILXICEACS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137148
COc1ccccc1c1nn(c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109880	433.546	LHIYHOWLENDYDH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137149
COc1cccc(c1)c1nn(c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92109893	433.546	BTJFUXXCYPAVEY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137150
N#Cc1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCC2	ZINC22_17098545,PC-id_22779926	433.546	AZLHJZZTKWQTDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137151
c1(NC(=O)CSc2ccncc2)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913373,MCULE-6189496997,PC-id_44053107	433.548	YXTPLWARRQXHJD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137152
O=C(Cn1nc2c(c1NC(=O)CSc1ccncc1)CSC2)NC[C@@H]1CCCO1	ZINC22_23139181,CoCoCo_5277656,PC-id_30862481	433.548	YXTPLWARRQXHJD-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137153
O=C(Cn1nc2c(c1NC(=O)CSc1ccncc1)CSC2)NC[C@H]1CCCO1	ZINC22_23139184,PC-id_30862483,CoCoCo_5277657	433.548	YXTPLWARRQXHJD-CYBMUJFWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137154
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(F)cc1)C(=O)OC	PC-id_20175935	433.563	NVDVQYYRYXBSND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137155
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(F)ccc1)C(=O)OC	PC-id_20175818	433.563	INQBLUKMASISRZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137156
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)c2CSCc2nn1C(C)(C)C	ZINC22_2476022,CoCoCo_4972720,MCULE-2226395733,PC-id_5143830,EMOLS-id_5426359	433.564	LZWPRUVGKQJLFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137157
c1(NC(=O)C2CC(=O)N(C(C)(C)C)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6772597199,EMOLS-id_334335144	433.564	WNJWYTSUCPTMPX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-137158
c1(c2CCCc2sc1N=Cc1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1)OCC	MCULE-3566200266,PC-id_3737808	433.566	SCJGCKQBZBFASA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137159
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-7299524281,PC-id_18883962	433.566	RGVKMYXJQZRFPW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137160
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2ccc(cc2)N(C)C)sc2c1CCC2	CoCoCo_6728457	433.566	SCJGCKQBZBFASA-QQXSKIMKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137161
CCOc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2ccc(cc2)N(C)C)cc1	PC-id_9633578,ZINC22_4108603,TIMTEC443348,EMOLS-id_46413489,CoCoCo_6728456	433.566	SCJGCKQBZBFASA-WGOQTCKBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137162
O=C(C1CCc2c1ncs2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	PC-id_44472652,SCHEMBL12799594	433.566	XBXOMFZIVJWVNU-JDQHOHPRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137163
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(Cc1c(c2ccccc2)cccc1)C)C)C(=O)N	PC-id_52856571	433.566	RKPYTEDEROFPFQ-INIZCTEOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137164
s1c2c(CCC2)c(c1NC(=O)[C@H](N(Cc1c(c2ccccc2)cccc1)C)C)C(=O)N	PC-id_52856573	433.566	RKPYTEDEROFPFQ-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137165
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1c(c2ccccc2)cccc1)C)C)C(=O)N	PC-id_75944382	433.566	RKPYTEDEROFPFQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137166
s1c2CCC(c2nc1)C(=O)Nc1ccc(CC2NC(CC2)C(O)c2ccccc2)cc1	PC-id_75628204	433.566	XBXOMFZIVJWVNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137167
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(CCCC)cc1	PC-id_16947561	433.566	LDYFFBCNSHELRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137168
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NC(CCc1ccccc1)C	PC-id_16947549	433.566	QNJQIXVZTHGZSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137169
s1c2CC[C@H](c2nc1)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2ccccc2)cc1	PC-id_51347436	433.566	XBXOMFZIVJWVNU-FBHSLPMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-137170
s1c2CCC(NC(=O)c3ccc(CC4NC(CC4)C(O)c4ccccc4)cc3)c2nc1	PC-id_75598108	433.566	SRGKXSVTAXQIGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137171
s1c2CCC(NC(=O)c3ccc(C[C@H]4N[C@H](CC4)[C@H](O)c4ccccc4)cc3)c2nc1	PC-id_50995693	433.566	SRGKXSVTAXQIGQ-JDQHOHPRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137172
CSc1ccccc1NC(=O)C[N@H+](CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC12999948,PC-id_25660240	433.567	QULNHEPLPMDMHE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-137173
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)CC(=O)N1CCCC1	MCULE-6867725186,PC-id_17549787,EMOLS-id_11913073	433.568	RVGPJTWQYHTTKF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137174
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)N2CCCC2)CC1	CoCoCo_4230362,PC-id_30617810,CoCoCo_4230363,ZINC22_22779757	433.568	RVGPJTWQYHTTKF-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137175
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)N2CCCC2)CC1	ZINC22_22779765,CoCoCo_4230364,CoCoCo_4230365,PC-id_30617819	433.568	RVGPJTWQYHTTKF-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137176
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)NCCCOC)C#N	PC-id_24589326	433.568	JWGJIMMXTHBQHP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137177
CCC(=O)N(c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)s1)C1CC1	ZINC22_9711959,PC-id_16295125,MCULE-8677938506,EMOLS-id_11714659,CoCoCo_3973701	433.571	FNOJIJSDHAAPRC-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-137178
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1cccs1	CoCoCo_2800001,ZINC22_32859625,MCULE-4493598069,PC-id_4329020,EMOLS-id_24000480	433.571	FXIJOCBVARRCTJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-137179
Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_8898392,MCULE-3686981093,EMOLS-id_43707261,SCHEMBL21045246,CoCoCo_2869649,PC-id_16315006	433.571	QAVKTSMWIPODSW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-137180
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCc2sccc2)cnn1)C(=O)N	PC-id_41820204	433.571	UPAHASCGXYDXLW-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-137181
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)OC(F)(F)C)nc2c1C(=O)CN2C	SCHEMBL16363950,PC-id_117793939	433.836	KMHHGSCNPUHDMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137202
Cc1cccc(N2CCN(CCNC(=O)c3cc4CS(=O)(=O)Cc4s3)CC2)c1C	CoCoCo_2175377,CHEMBL1537487,PC-id_3238766,BindingDB-id_55685,MCULE-2956017946,EMOLS-id_6681454,CoCoCo_2175376,BindingDB_PC-id_3238766	433.587	FRYCKTJQLYPSMR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137182
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1	EMOLS-id_24109342,MCULE-6607830668,PC-id_25610113,ZINC22_12926096,CoCoCo_4164169	433.587	DFHSNWSLENNRGR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137183
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1sccc1)C(=O)OCC	PC-id_28226472	433.587	ZBMTTZLHTDCIDF-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-137184
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)N1CCCCCC1)C(=O)N	PC-id_40988342	433.587	UZEDAPBCWQOMFX-UHFFFAOYSA-O	00000010100010000100000010000000000000000000000000000000	25-01-137185
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCc2n1)c1c(cc(cc1C)C)C	PC-id_26723354	433.587	ANFMKKFFQXBYQF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137186
S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)CCC(=O)Nc1sc2CCCc2n1	PC-id_26723350	433.587	AGUIAJRZFBSJJU-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-137187
CCNC(=NCc1nnc2n1CCC2)N1CCC(CC1)CN(C(=O)OC(C)(C)C)CC	PC-id_109563636	433.591	CGCCHRTZBYIRDD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137188
s1c2c(CCC2)c(c1NC(=O)C(N1CCCN(CC1)c1scc(n1)C)C)C(=O)N	PC-id_56070238	433.591	HNWZRZPMZAQAAF-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-137189
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)C)C)C(=O)OC	PC-id_20175999	433.591	FNRYSGKQNAVQGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137190
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)C)C)C(=O)OC	PC-id_20176089	433.591	BZBPSGDPAXBKHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137191
s1c2CCCc2c(c1NC(=S)NC(=O)CCCCCCCCCCCCC)C#N	PC-id_54791229	433.673	DJIBXCQJBZNPTM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-137192
CCCCCCCCCCCCCCCCCCCCc1scc2c1C(=O)NC2=O	PC-id_141371471	433.69	UOVGVXWLCXGSIN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-137193
CCCCCCCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)csc2	PC-id_90323766,SCHEMBL15929367	433.69	GMZBIHRQNZOJSP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-137194
CCCCCCCCCCC(CN1C(=O)c2c(C1=O)csc2)CCCCCCCC	SCHEMBL16307253,PC-id_71484171	433.69	VBQANYDYUGERQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-137195
CCCCCCCCCCC(CN1C(=O)C(=O)c2c1ccs2)CCCCCCCC	PC-id_101570397	433.69	XKOUMNWOPHRLSR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-137196
c1(c2CCCc2sc1NC(=O)C(Cl)(Cl)Cl)C(=O)Nc1ccccc1OC	EMOLS-id_2109892,MCULE-1877444935,CoCoCo_706731,CK1927442,PC-id_2872124,ChEMBL-DNDi_CHEMBL5842470,ZINC22_15659795,GD-id_ZINC15659795,Chemmine_27662	433.737	DXZIVWGWBQAVOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137197
c1(c2CCCc2sc1NC(=O)C(Cl)(Cl)Cl)C(=O)Nc1ccc(cc1)OC	PC-id_1361366,ZINC22_1204097,MCULE-8559236797,GD-id_ZINC01204097,Chemmine_25043,EMOLS-id_2109562,CoCoCo_706348,CK1925919	433.737	YQWOUNYSLIISGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137198
Brc1ccc(/C(=C/C2Sc3n(N2)c(nn3)Cc2ccccc2)/Cl)cc1	PC-id_10526809	433.753	DFVAYTONHBHHQF-PTNGSMBKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137199
Brc1ccc(C(=CC2Sc3n(N2)c(nn3)Cc2ccccc2)Cl)cc1	PC-id_85172217	433.753	DFVAYTONHBHHQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137200
CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2C(F)(F)F)sc2c1C(C)OC2	SCHEMBL2162606,PC-id_24772539	433.829	ADYFEQWHTMPFLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137201
CCOC(=O)c1cccc(c1)C(=O)c1c(CC)c(c2n1CCC2(C(=O)O)C(=O)O)Cl	SCHEMBL11004835,PC-id_20404997	433.839	VBCLVCZGBDCDPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137203
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(F)c(F)cc2)cc1	PC-id_16947425	433.859	FQSMPTPXCWCFPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137204
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)ccc1F	PC-id_16947268	433.859	KZLFXXJUMPGBBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137205
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(COC1)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134599113,SCHEMBL20253020	433.861	HPQGGLWGYRAUGD-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-137206
Clc1ccc(cc1)CCC(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69480753,SCHEMBL5540156	433.889	QMXKBHSUDRAVLY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137207
Clc1c(CCC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cccc1	PC-id_23081346,SCHEMBL5540162	433.889	GRHZGHIHLHKJBW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137208
Clc1c(CCC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cccc1	SCHEMBL5540153,PC-id_69480752	433.889	GRHZGHIHLHKJBW-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137209
Cc1c(n2c(c1C(=O)C(=O)NC(C)C)CCC2(C)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL20253021,PC-id_134599114	433.904	VEBUWJGRXQXBRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137210
Clc1ccc(C2(CC2)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24380640	433.905	HJJHUBBLUUXYEU-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-137211
Clc1ccc(cc1)N1CCN(CC1)C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	EMOLS-id_31548210,PC-id_46861256,MCULE-3766843444	433.93	MLQITRPUZCTFGB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137212
Clc1ccccc1N1CCN(CC1)C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861255,EMOLS-id_31548208,MCULE-1715284518	433.93	ZPDBZMCTQPOPDP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137213
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCN(c2ccccc2Cl)CC1	PC-id_52340363,ZINC22_51364410	433.93	ZPDBZMCTQPOPDP-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137214
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCN(c2ccccc2Cl)CC1	ZINC22_51364409,PC-id_52340362	433.93	ZPDBZMCTQPOPDP-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-137215
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC22_51364411,PC-id_52340364	433.93	MLQITRPUZCTFGB-NRFANRHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137216
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC22_51364412,PC-id_52340365	433.93	MLQITRPUZCTFGB-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137217
Clc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3sc4CCCc4n3)cc2)cc1	PC-id_33040380	433.932	NNTQYDFCYYLWQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137218
Clc1ccc(c2[nH]nc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)n2)cc1	PC-id_35970886	433.935	IATUSFHAGOBGLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137219
Clc1cc(n2c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nnc2)ccc1	PC-id_31998336	433.935	LNBUDVYJXSBTDZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137220
c1(c2CCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_6723787,PC-id_3776582,TIMTEC284464,MCULE-2979411616,EMOLS-id_2785172,ZINC22_15946663	433.952	LGXUQAXSGMGMNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137221
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_22198446	433.952	RYJYASDUBFRORZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137222
OCC1CCCCC1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(nc1)Cl)CCC2	PC-id_142393464	433.952	OGPXKHXJLJLWMG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-137224
Clc1sc(S(=O)(=O)N(CC(=O)NNC(=O)c2sc3CCCc3c2)C)cc1	PC-id_27684319	433.953	ICJHIYFAZHOSHT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137225
Clc1ccc(N2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)nc1	PC-id_56143994	433.955	XEFAERDLZMSOMO-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-137226
Clc1ccc(c(c1)CC1CCn2c1c(CCNCc1cnn(c1)C)n(c2=S)C)F	PC-id_139293650,SCHEMBL21136133	433.973	SGFNEVGXVUMCPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137227
CCC(C(=O)NCC(C)C1Nc2c(c(nn2N1)C(C)(C)C)Cl)Oc1cccc(c1)C	PC-id_135665974	433.975	FDHXWBYUGMRKQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137228
Clc1ccc(C[NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_51619988	433.975	SJYGFYSMBWOIIM-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-137229
Clc1cc(C[NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_51620963	433.975	KIJHWKWHJCZNNM-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-137230
Cc1csc2nc(Cl)c(/C=c/3sc4nc(CCC5CCCCC5)nn4c3=O)n12	EMOLS-id_324903941	433.978	USAYLFDDVTWSLJ-ZROIWOOFSA-N	00000000100010000001000110000000000000000000000000000000	25-01-137231
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CCC1CCCCC1	MCULE-6201138843	433.978	USAYLFDDVTWSLJ-UHFFFAOYSA-N	00000000100010000001000110000000000000000000000000000000	25-01-137232
C/C=C(C1=C(C)c2n(C1CCC1(F)CCC(CC1)C(=O)N1CCCCC1)cnc2)/Cl	PC-id_142610973	433.99	PMFLQDCVWLGXHR-QBROUFQSSA-N	00000011100010000001000010000000000000000000000000000000	25-01-137233
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCCCN(CC)CC	EMOLS-id_2485019,CoCoCo_523261,MCULE-9802716233,PC-id_2220319,ZINC22_2867337,STOCK5S-20935	433.995	FXGDKXSRAPKWRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137234
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N(CC(C)C)CC(C)C)cc1	PC-id_16947336	433.995	MWVVYVRQCPTASP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137235
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCCCCCCC)cc1	PC-id_16947463	433.995	OFEAIJVZJPRYLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137236
CC1C(C1CC1Cc2c(S1)c(nn2C(=O)OC(C)(C)C)I)C	PC-id_163800496	434.052	NENMTSGDPQNQIP-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-137237
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)C3(COC3)C4=C(C=CC=N4)Cl	PC-id_164872239	434.082	FWOWVYUGPNFRFE-LNKIKWGQSA-N	00001010100000101001100010000000000000000000000000000000	25-01-137238
CC1=C(SC(=N1)OC)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4F	PC-id_164872316	434.088	FJXVBWJWGQNTRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137239
CC1=NC=C(S1)C2=NC(=C(C=C2)[N+](=O)[O-])CC(=O)N3CC4=C(C3)N(N=C4)CC(F)F	PC-id_160744687	434.097	WURPHROEWVYHCO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-137240
CC1=NC=C(S1)C2=NC(=C(C=C2)[N+](=O)[O-])CC(=O)N3CC4=CN(N=C4C3)CC(F)F	PC-id_160744686	434.097	ASDBYROQBHCRSJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-137241
CC(CO)(C1=CC=CC=N1)C(=O)N2CC3=CN(N=C3C2)SC4=CN(N=C4)CC(F)F	PC-id_164872323	434.134	GJOUHGAVOARUQE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137242
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)C)C(=N1)NC(=O)C4=CC=C(C=C4)O	PC-id_165180362	434.159	KKQUPSHILLWEAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137243
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC(=CC=C4)CO	PC-id_160282211	434.195	NJTSNPLTSGAZME-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137244
Brc1sc(cc1Br)C(c1sc2c(n1)CCC2)NC1CC1	PC-id_102843082	434.212	IMQFBMYEDUDGMY-UHFFFAOYSA-N	00100010100100000001000010000000000000000000000000000000	25-01-137245
CC1=C2CCC(C2=NN1)C(=C)C(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CC(C5)(C)F)C	PC-id_153404018	434.223	CEGNTMROLOFIJS-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-137246
C[C@H]1CN(CCN1C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(cc(cc1)F)F)O)C	PC-id_163546592	434.224	FFNRGBZFSIGYMX-SVZXGPMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-137247
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)OC(C)(C)C)NC(=O)C3(CC3)[Si](C)(C)C	PC-id_161323661	434.235	VKMDZGFPZHWVSJ-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-137248
CC(c1cc(ccc1C)C(F)(F)F)n1nc2CCC(C)c2c1I	EMOLS-id_330963646,MCULE-8867593778	434.238	YFSZQIPGCGHYKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137249
CC(c1ccc(C)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1I	EMOLS-id_330963390,MCULE-2969428824	434.238	RRTMCVASQBOASP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137250
Fc1ccc(Cc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324838133	434.257	CCCOZAPOUDSGJF-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137251
Fc1ccc(Cc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_324838129	434.257	CRNQRABOPCRUFI-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137252
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)Cc1ccc(F)cc1	MCULE-7674518745	434.257	CCCOZAPOUDSGJF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137253
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)Cc1ccc(F)cc1	MCULE-9606445145	434.257	CRNQRABOPCRUFI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137254
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4occc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL3484493,PC-id_24947133	434.276	HSOMKHMZOKDDAM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-137255
Brc1c2n(CCC2C(=O)O)c(c1CC)C(=O)c1cc(ccc1)C(=O)OCC	PC-id_20404999,SCHEMBL11000689	434.28	OSCWZALGAPSZOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137256
Brc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1C)C(=O)c1ccc(cc1)C	PC-id_54424618,SCHEMBL11258810	434.28	WDEYJBKLRZXFEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137257
Brc1c2n(CCC2(C(=O)O)C(=O)O)c(c1CCCC)C(=O)c1ccccc1	SCHEMBL11004017,PC-id_20404993	434.28	SDIXSUJGUSFVQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137258
O=C(Nc1nc2c(s1)CCC2)c1cccnc1Oc1ccc(F)cc1Br	PC-id_56796039,EMOLS-id_37002399,MCULE-6148226781,ZINC22_71800739	434.282	ZMRUYCIVDRIPDU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-137259
N#Cc1c(/N=C/c2cccnc2)c(C(=O)Nc2ccc(Br)cc2)n2c1CCC2	CHEMBL4531924	434.289	NMTVGDDVOYKQAB-DHRITJCHSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137260
Cc1ccc(O)c(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324845816	434.296	UJJGOHVNXCBLHU-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137261
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3cccc(O)c3)/c(=O)n2n1	EMOLS-id_324913163	434.296	YNVDLEFGXWDTIS-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137262
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(O)cc3)/c(=O)n2n1	EMOLS-id_324914184	434.296	NOGYRWDDLNNJEG-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137263
COc1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324848371	434.296	BLNBAGZNRDTBMQ-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137264
COc1ccccc1OCc1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324871169	434.296	QSFGYHPIRFVTPK-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137265
COc1ccccc1OCc1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324869647	434.296	AUDGTRJNOQUPBH-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137266
COc1ccccc1OCc1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324872192	434.296	DXTCZHJJNGHIOS-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137267
COc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324846834	434.296	OLDALOVPYXTVPE-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137268
COc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324849395	434.296	YCJLQTHASIORQC-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137269
COc1cccc(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)c1	EMOLS-id_324877315	434.296	SEMCQNPRMWLIHF-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137270
COc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)c1	EMOLS-id_324875778	434.296	WANDAEZRUZKDMH-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137271
COc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)c1	EMOLS-id_324874243	434.296	TYYGHMCNYUXYAL-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137272
n12c(=O)c(=Cc3ccc(cc3)O)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-2877692126	434.296	NOGYRWDDLNNJEG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137273
n12c(=O)c(=Cc3cccc(O)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-4871708338	434.296	YNVDLEFGXWDTIS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137274
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8656340000	434.296	BLNBAGZNRDTBMQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137275
n12nc(nc1sc(=Cc1cc(ccc1O)C)c2=O)COc1ccc(cc1Cl)Cl	MCULE-9700284695	434.296	UJJGOHVNXCBLHU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137276
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1ccccc1OC	MCULE-5595789892	434.296	QSFGYHPIRFVTPK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137277
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1cccc(OC)c1	MCULE-2952798684	434.296	SEMCQNPRMWLIHF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137278
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1ccccc1OC	MCULE-8312064519	434.296	AUDGTRJNOQUPBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137279
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1cccc(OC)c1	MCULE-9752497746	434.296	WANDAEZRUZKDMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137280
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1ccccc1OC	MCULE-6228775021	434.296	DXTCZHJJNGHIOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137281
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1cccc(OC)c1	MCULE-8392803441	434.296	TYYGHMCNYUXYAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137282
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8347673377	434.296	YCJLQTHASIORQC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137283
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCc1ccc(cc1Cl)Cl)c2=O	MCULE-3512671684	434.296	KXQISQGAISTTLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137284
n12nc(nc1sc(=Cc1ccc(OC)cc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-7216818366	434.296	OLDALOVPYXTVPE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137285
c1(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2Cl)c2CCCc2n(C)n1	EMOLS-id_50145210,MCULE-2145222607,PC-id_86266518	434.316	WXTRKHBWKXMRDE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-137286
Brc1cc(CC2CCc3n(c(cc23)C(=O)OC)C(=O)OC(C)(C)C)ccc1	SCHEMBL1004661,PC-id_66873683	434.324	WRPDIGNQBYIDJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137287
Brc1ccc(C(=O)N2CCC(CC2)C(=O)Nc2sc3CCCc3n2)cc1	PC-id_33040149	434.35	BXSWLPKMGDFOEH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137288
Brc1ccc(OCCN(CC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_4824940	434.35	DGRMDMMMVMFESE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137289
C(C(F)(F)F)(C(F)(F)F)(NC(=O)OCC)Nc1sc2c(CCC2)c1C(=O)OC	CoCoCo_1823496,SPECS-id_AG-389/14852014,ZINC22_8445248,MCULE-4873520726,EMOLS-id_6867698,PC-id_3330008,ChEMBL-DNDi_CHEMBL5256-4736	434.354	AWFAAZOCUKTNJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-137290
s1c2CCCc2c(c1NC(=O)COc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N	PC-id_24438238	434.355	AFPRRAXUOQCYIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137291
N#Cc1c(sc2c1CCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1cccnc1	PC-id_571633,CoCoCo_1956558	434.359	BVOKYJIKAGFXHY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-137292
N#Cc1c(NC(=O)Cc2csc(c3ccc(Cl)cc3Cl)n2)sc2c1CCC2	MCULE-6037786356,PC-id_71881703,EMOLS-id_44559963,ZINC22_61111995	434.362	XXBKCSXNILFYCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137293
CCCSP(=S)(ON=C1n2c(SC1(C)C)nc(c2Cl)Cl)OCC	PC-id_53974545,SCHEMBL11057017	434.365	JTZMPZHZVUZQCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137294
CC(c1c(n2C(=N)N=Nc2n1)O)(c1c(n2C(=N)N=Nc2n1)O)C(=O)c1ccc(cc1)OC	PC-id_135420428	434.368	LIHRTFBZELNVLA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-137295
COc1ccc(C(=O)C(C)(C2=Nc3nnc(N)n3C2=O)C2=Nc3nnc(N)n3C2=O)cc1	NSC382935,CoCoCo_5637007,PC-id_343480,LI_194308,ZINC22_16942976	434.368	URGKXYRJFHOMPA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-137296
N#C/C(=N/Nc1ccc(cc1)C(F)(F)F)/c1c(C(=O)OC)c(c2n1CCC2)C(=O)OC	PC-id_102483326	434.369	QZBQIZRXWKGGKP-ZMFRSBBQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137297
CC(CCc1nc(ccc1)Br)CCC(C)(C)C(=O)N1Cc2c(C1)[nH]nc2N	SCHEMBL12849473,PC-id_88970898	434.373	LCSISOSMDBQQAU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137298
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CCOC1)O[C@H](C(F)(F)F)C	PC-id_118479341,SCHEMBL17214189	434.412	RXXMWNTXYPJDDJ-CFMCSPIPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137299
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)N(=O)=O)C(=O)OC	SPECS-id_AT-225/NB59936,BAS-01292129,PC-id_2789273,MCULE-3103377165,ChEMBL-DNDi_CHEMBL2798-0895,EMOLS-id_603589	434.42	YWIBVDYVTZRCFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137300
CCOC(=O)C1C(=C(c2c1n(cc2)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C)OC(=O)C	PC-id_101769508	434.42	YREWMXUVEDDLLT-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-137301
COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_187540,ZINC22_1744155,PC-id_1553464	434.42	YWIBVDYVTZRCFX-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137302
COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_1744152,PC-id_1553463,CoCoCo_187539	434.42	YWIBVDYVTZRCFX-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137303
O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CNC3)cc1OCC(=O)O	CHEMBL314373,PC-id_44321551,BindingDB_PC-id_44321551	434.42	FFLJSYCDEKUGAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137304
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(OC)cc1)C(=O)OC	PC-id_16250121	434.42	HEMZIHKKANGCKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137305
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-]	PC-id_90512289	434.423	TXSQTQFCPUTFBS-UHFFFAOYSA-N	00001010101000000001000010000000000000000000000000000000	25-01-137306
c1(NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337709,MCULE-2963439204	434.431	FMYHCDBIROKZQF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137307
c1(NC(=O)c2ccccc2C(F)(F)F)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2124860355,EMOLS-id_334343331	434.431	FGAOLVDGOZSLPI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137308
s1c2CCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1cc(ccc1)C(F)(F)F)C	PC-id_36761326	434.435	KNOQMABHPNWAFD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137309
s1c2CCCc2nc1NC(=O)C(=O)c1c(n(nc1C)c1cc(ccc1)C(F)(F)F)C	PC-id_33040623	434.435	STVUFUZTFUMQCN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137310
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(OC)cc2)C(=O)OCC)C1)c1ccccc1	PC-id_71477563	434.445	FAUHAANTNSUFBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137311
CC(C)C(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL17505269,PC-id_86268339	434.455	FFAGIAKHWIFZEB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137312
CN1CC2C(C1)C2CN(C(=O)c1cn2c(n1)CCC2)Cc1cccc(c1)OC(F)(F)F	SCHEMBL6103889,PC-id_69665484	434.455	RSPJJMKZTCMZKG-UHFFFAOYSA-N	00100010100000110001010010000000000000000000000000000000	25-01-137313
CCOC(=O)c1c(NC(=O)CSc2nnc(C(F)(F)F)n2C)sc2c1CCC2	PC-id_4691067,CoCoCo_3129540,EMOLS-id_3468610,ZINC22_9665542,MCULE-9321143008	434.456	BSYZWJUOHQEVMW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137314
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1ccc(cc1)F)C(=O)O	PC-id_91437491	434.461	VYOBTRSHPQVSSW-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-137315
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_17377341,CoCoCo_6833175,ZINC22_17098790,EMOLS-id_4119744,MCULE-8347643061	434.463	YEFHYEINHKDWAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137316
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC12CC(C1)(C2)C#N)C)F	PC-id_134599067,SCHEMBL20252968	434.463	YXAJEICKAQKWBX-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-137317
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccco2)sc2c1CCC2	CoCoCo_2824884,ZINC22_9883624,PC-id_41259462	434.463	PCMYDAAQUGMSHF-LLVKDONJSA-N	00000010101000000000000010000000000000000000000000000000	25-01-137318
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)sc2c1CCC2	ZINC22_9883626,CoCoCo_2824883,PC-id_41259464	434.463	PCMYDAAQUGMSHF-NSHDSACASA-N	00000010101000000000000010000000000000000000000000000000	25-01-137319
CCOC(=O)c1c(NC(=O)COC(=O)C(NC(=O)c2ccco2)C)sc2c1CCC2	EMOLS-id_11666977,MCULE-5485264131,PC-id_16269193	434.463	PCMYDAAQUGMSHF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-137320
COc1cc(OC)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1OC	PC-id_5039093,EMOLS-id_34056177,ZINC22_11407380,MCULE-2924452165	434.463	XTAWHCQRMXFYIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137321
COC(=O)c1cc(COC(=O)CCC(=O)Nc2sc3c(c2C(=O)N)CCC3)oc1C	ZINC22_3329285,MCULE-6145703939,PC-id_2445280,EMOLS-id_3281569,CoCoCo_3637486	434.463	USLJEGWASNUMEI-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-137322
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_4238982	434.463	MELMNHRLCJLQMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137323
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)c(OC)c(OC)cc1)C(=O)N	PC-id_5037997	434.463	PFQURCIZADXJSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137324
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OC)C)C(=O)OC	PC-id_24366239	434.463	PKTPYTIJJVISPN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-137325
Cc1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)c1c2ccc(c1C(=O)O)o2	PC-id_135200371,SCHEMBL20353953	434.464	AIQBMSJXVHRQMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137326
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)Nc1nc(C)ncc1F	PC-id_59333936,SCHEMBL3327655	434.465	BQQGSLOSVVGALR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137327
COC(=O)c1c(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCC2	PC-id_24406574,ZINC22_15125657,MCULE-6925507208,EMOLS-id_34595537	434.466	HYYUQJMSWCYIDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137328
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(N)COC1)C	PC-id_118368913,SCHEMBL18729935	434.466	VUOWPOLRGIFZAL-GOSISDBHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137329
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(N)COC1)C	SCHEMBL18729936	434.466	VUOWPOLRGIFZAL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137330
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccco2)sc2c(CCC2)c1C#N	MCULE-4679312031	434.468	UWKLMAYHLFZARZ-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-137331
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321772285,MCULE-5364767207	434.468	IEDTVRGUOKFQDE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137332
O=C(COc1cccnc1NC(=O)/C=C/c1ccco1)Nc1sc2CCCc2c1C#N	EMOLS-id_321809776	434.468	UWKLMAYHLFZARZ-CMDGGOBGSA-N	00000010101000101000000010000000000000000000000000000000	25-01-137333
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccnc2)sc2c(CCC2)c1C#N	EMOLS-id_321903615,MCULE-7436073953	434.471	OMNMDFQOZLLFNB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-137334
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccncc2)sc2c(CCC2)c1C#N	MCULE-5405740490,EMOLS-id_321906672	434.471	BMYXTKJJHCRVHP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-137335
Cc1nnnn1/C(=Cc1ccccc1)/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3145364,ZINC22_9466612,PC-id_16285719	434.471	OAMWWMMTIBUMCS-YVLHZVERSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137336
Cc1nnnn1/C(=C/c1ccccc1)/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3145365,ZINC22_96506667,PC-id_97616109	434.471	OAMWWMMTIBUMCS-LICLKQGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137337
N#Cc1c(NC(=O)COC(=O)C(=Cc2ccccc2)n2nnnc2C)sc2c1CCC2	EMOLS-id_26053996,PC-id_72091555,MCULE-3829429117	434.471	OAMWWMMTIBUMCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137338
N#Cc1c(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)sc2c1CCC2	EMOLS-id_3299293,PC-id_2514627,CoCoCo_3571971,MCULE-5472713554,CoCoCo_3571972,ZINC22_34854088	434.478	FCBGZKFTXPMXJZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137339
CCN(C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccc(cc1F)F)C(CN(C)C)C	PC-id_145493457	434.483	MZQKGPKNRXRHQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137340
c1(NC(=O)COc2ccccc2F)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053080,MCULE-5193978923,EMOLS-id_24913351	434.484	AIJYHQILBOMQIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137341
CCOC(=O)c1c(c2c(s1)[S+]=C(C2=NC=Nc1ccc(cc1)F)C(=O)OCC)N	PC-id_136700369	434.484	DXWCZRDQFORPEO-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-137342
O=C(Cn1nc2c(c1NC(=O)COc1ccccc1F)CSC2)NC[C@@H]1CCCO1	ZINC22_23139110,CoCoCo_5277627,PC-id_30862413	434.484	AIJYHQILBOMQIC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137343
O=C(Cn1nc2c(c1NC(=O)COc1ccccc1F)CSC2)NC[C@H]1CCCO1	ZINC22_23139113,PC-id_30862415,CoCoCo_5277626	434.484	AIJYHQILBOMQIC-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137344
S1Cc2c(nn(c2NC(=O)CCC(=O)OCC)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053752	434.484	WOLWYFPGTUKSCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137345
S1Cc2c(nn(c2NC(=O)COc2ccc(F)cc2)CC(=O)NCC2OCCC2)C1	PC-id_44053081	434.484	FWKSJXFZDYALCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137346
CCc1nc(N)nc(c1F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1(F)CCN(CC1)C	PC-id_68596826,SCHEMBL3326080	434.486	QQPHYIJGIQPROX-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-137347
CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1	PC-id_59333919,SCHEMBL7015524,BindingDB-id_546052,BindingDB_PC-id_59333919	434.486	UNMSPGLHMOHLGQ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-137348
n12CCC(C(=O)Nc3ccccc3C(=O)c3ccccc3)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548280,PC-id_46861291,MCULE-2873663758	434.486	CBIQJSNQVNZDNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137349
N#Cc1c(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)sc2c1CCC2	ZINC22_12780955,EMOLS-id_18836272,PC-id_25506226,CoCoCo_3851380,MCULE-8144456888	434.486	PDCOSRURGNFHNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137350
O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc12	PC-id_52340433,ZINC22_51364482	434.486	CBIQJSNQVNZDNM-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137351
O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc12	ZINC22_51364481,PC-id_52340432	434.486	CBIQJSNQVNZDNM-JOCHJYFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137352
c1(C(=O)Nc2c(OCC)cc(c(OCC)c2)NC(=O)c2ccccc2)c2CCCc2[nH]n1	MCULE-3061482902,EMOLS-id_335135437	434.488	FNVDKTFVTMQGTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137353
c1(C(=O)NCc2ccccc2)cc2n(C[C@@H](NC(=O)Cc3cc(OC)cc(OC)c3)C2)n1	EMOLS-id_316333361,MCULE-5297463916	434.488	UYPWRIGZFKEIPI-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137354
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NC(=O)Cc3cc(OC)ccc3OC)Cc12	MCULE-3441320083,EMOLS-id_316319546	434.488	HRPRHQNTDUWSQS-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137355
c1(C(=O)NCc2ccccc2)cnn2CC(NC(=O)Cc3cc(OC)ccc3OC)Cc12	MCULE-1585200803	434.488	HRPRHQNTDUWSQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137356
COc1cc(CC(=O)NC2Cc3n(C2)nc(c3)C(=O)NCc2ccccc2)cc(c1)OC	MCULE-8063768002	434.488	UYPWRIGZFKEIPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137357
c1(NC(=S)NC(=O)c2ccc(c(c2)N(=O)=O)OCC)sc2c(CCC2)c1C(=O)N	MCULE-5735025496,PC-id_4504709,EMOLS-id_1811913,TIMTEC229151,SPECS-id_AN-153/I253406,ZINC22_16692994,CoCoCo_6648406	434.489	IXNMQRVDJVTALB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137358
c1(NC(=S)NNC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)OC	CoCoCo_6797569,TIMTEC400630,EMOLS-id_4119854,PC-id_4508593,MCULE-1704273112	434.489	QGRPLKVQDPFBGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137359
S1(=O)(=O)C(Cc2scc(S(=O)(=O)NC(=O)N[n+]3nc(cc(OC)n3)C)c12)C	PC-id_77837916	434.491	YECLJOOSKRPABZ-UHFFFAOYSA-O	00000010100000100001000010000000000000000000000000000000	25-01-137360
CNC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cnccn1	SCHEMBL14521418,PC-id_71191379	434.494	HPVOEFHOWFHQLA-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137361
COc1nc(nc(n1)C)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	SCHEMBL13470357,PC-id_70914374	434.494	IYIRFSWBWPSMFO-IURRXHLWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137362
C#CCNc1nc(NCCc2nnc3n2CCC3)nc(n1)NCCc1nnc2n1CCC2	MCULE-8110435476	434.501	BLKAIYMTATVWTD-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137363
CN=C(NCc1nnc2n1CCC2)NCC1(CCCCC1)c1cccc(c1)C(F)(F)F	PC-id_111499169	434.501	KHNFUBCQEJEOPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137364
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1cc(F)ccc1)C)C(=O)OCC	PC-id_2501977	434.504	UMKWNPRDBZWYQK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-137365
C([2H])([2H])N1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484634,PC-id_135315196	434.506	ZGSSRMCYVIDZBN-CBTSVUPCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137366
C([2H])([2H])S(=O)(=O)C(C)(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C)C(=O)NO	PC-id_135315553,SCHEMBL20485053	434.506	ZGSSRMCYVIDZBN-SMZGMGDZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137367
CC(C(c1[nH]nc2c1CN(C2(C)C)C(=O)c1ccc(cc1)F)NC(=O)c1ccccc1)C	SCHEMBL2916421,PC-id_68439938	434.506	CPAABKYGBBWCLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137368
Fc1ccc(cc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_68439937,SCHEMBL2916420	434.506	BXBYHUXQQDJHIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137369
ONC(=O)[C@](S(=O)(=O)C([2H])[2H])(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C)C	SCHEMBL18588191	434.506	ZGSSRMCYVIDZBN-CVDAGWIGSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137370
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C([2H])[2H])C	SCHEMBL18587791	434.506	ZGSSRMCYVIDZBN-MDRCVRLTSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137371
s1c2c(CCC2)c(c1NC(=O)CNc1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_55362191	434.506	CWFWGXDUFAMXMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137372
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)OCC	MCULE-8154912786,EMOLS-id_179141361,PC-id_1659763	434.507	IDODLOJVOMNSGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137373
c1(ccccc1NC(=O)c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-3318832433,EMOLS-id_327949802	434.507	ASUXMKSTIKAKNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137374
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(c2ccccc2)cc1)C)C(=O)N	PC-id_52500023	434.507	LDWDMNZQQQKLKN-AWEZNQCLSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137375
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(c2ccccc2)cc1)C)C(=O)N	PC-id_52500024	434.507	LDWDMNZQQQKLKN-CQSZACIVSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137376
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(Cc2ccccc2)cccc1)C(=O)N	PC-id_24355491	434.507	LDKRNRKGYVUOJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137377
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2ccccc2)cc1)C)C(=O)N	PC-id_75859954	434.507	LDWDMNZQQQKLKN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137378
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(cc1)c1ccccc1)C(=O)N	PC-id_3936069	434.507	MJEFNAZDYZFILD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137379
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1)C(=O)N	PC-id_4540142	434.507	HZACPBNHRLFFSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137380
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)c2CSCc2nn1CC(=O)NCCC	PC-id_30862085,EMOLS-id_24913133,CoCoCo_5277495,ZINC22_23138746,MCULE-6561908303	434.509	ZXITVLWHTVSTRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137381
c1(NC(=O)C(=O)NCCc2ccccc2OC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-1361043217,EMOLS-id_5625850,PC-id_18586568,ZINC22_10250678,CoCoCo_5190625	434.509	UOGHAANRNYVLMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137382
c1(NC(=O)CSc2c(ccc(c3ccc(cc3)F)n2)C#N)sc2c(CCC2)c1C#N	CoCoCo_6930122,EMOLS-id_3750466,STOCK3S-14201,MCULE-1491814281,ChEMBL-DNDi_CHEMBL1464360,SPECS-id_AM-807/14147380,CHEMBL1464360,ZINC22_663330,PC-id_1005162	434.509	CXXVUCMTJLITRN-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-137383
CCOC(=O)n1nc2c(c1NC(=O)c1cccs1)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL12879093,PC-id_58015721	434.509	XBQCGWYHQRTLSL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-137384
O=C1CCCC(=O)N1CCS(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109610	434.509	YTTJAEUONIYXCF-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-137385
S1Cc2c(nn(c2NC(=O)Cc2cc(OC)c(OC)cc2)CC(=O)NCCOC)C1	PC-id_44053025	434.509	CCMHTZJNCKHPFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137386
S1Cc2c(nn(c2NC(=O)COc2ccc(OCC)cc2)CC(=O)NCCOC)C1	PC-id_44053019	434.509	TWXLZBSFAXPIAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137387
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9982163673	434.511	HFDHDXMEXWJLSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137388
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)C)c2=O)CCC	MCULE-5858843084	434.511	DSQRLGJYTOFSHX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137389
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(NC(=O)C)cc1	PC-id_16947646	434.511	JLTOEIIMLGKTQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137390
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(NC(=O)C)ccc1	PC-id_16947645	434.511	GIAAVRNYYWBEIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137391
S(=O)(=O)(N1CCCCCC1)c1cc([N+](=O)[O-])c(NCCc2n3CCCc3nn2)cc1	PC-id_78835661	434.513	JMTUYRURWYEZHF-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-137392
s1c2c(CCC2)c(c1Nc1nc(NCCN(CC)CC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127509	434.516	KIIUQQJKRFHLIE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137393
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2175070979	434.526	CQVNBYHKFSHFNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137394
c1(NC(=O)C=Cc2cccc(F)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8568275138	434.526	KMKLCCKCVZFFOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137395
Fc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)c1	EMOLS-id_334332578	434.526	KMKLCCKCVZFFOQ-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137396
Fc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334329254	434.526	CQVNBYHKFSHFNB-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137397
c1(c2CCCc2sc1NC(=O)c1ccccc1OC)C(=O)NC1CCS(=O)(=O)C1	PC-id_17012674,EMOLS-id_10105440,MCULE-2144591292,TIMTEC433545	434.529	RRNQAMSOHUUFOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137398
c1(c2CCCc2sc1NC(=O)c1cccc(OC)c1)C(=O)NC1CCS(=O)(=O)C1	PC-id_17012677,EMOLS-id_10105446,TIMTEC281900,MCULE-8080203973	434.529	LEAOXAXQXUQADP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137399
c1(c2CCCc2sc1NC(=O)COc1ccccc1)C(=O)NC1CCS(=O)(=O)C1	MCULE-9861205402,PC-id_17012676,EMOLS-id_10105444,TIMTEC541211	434.529	XBNHDHRLGZTIPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137400
C=CCN(c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1)S(=O)(=O)C	ZINC22_408621829	434.529	PFBZKJCCNRNHSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137401
CCOC(=O)c1c(NC(=S)NC(=O)c2c(OC)cccc2OC)sc2c1CCC2	PC-id_22780087,ZINC22_17098972	434.529	GVAMROPURIDRCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137402
CCOC(=O)n1nc2c(c1NC(=O)C1CCCCC1)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015587,SCHEMBL1206356	434.529	IOTNTOYYESIALK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137403
COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2	CoCoCo_6329939,PC-id_35042661,ZINC22_27663066	434.529	RRNQAMSOHUUFOP-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137404
COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2	CoCoCo_6329940,ZINC22_27663068,PC-id_35042663	434.529	RRNQAMSOHUUFOP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137405
COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1	CoCoCo_6329945,PC-id_35042673,ZINC22_27663078	434.529	LEAOXAXQXUQADP-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137406
COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1	CoCoCo_6329946,PC-id_35042675,ZINC22_27663080	434.529	LEAOXAXQXUQADP-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137407
COC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C2CC2)sc2CCCc12	ZINC22_10099534,PC-id_41364002,MCULE-8187943701,EMOLS-id_30140181	434.529	UMHZLTLPJKWAMX-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-137408
COC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc2c1CCC2	EMOLS-id_16789414,PC-id_17537759,ZINC22_12771643,MCULE-8462917692,CoCoCo_3314588	434.529	PRDBLVZQYFDXSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137409
Fc1c(C(=O)Nc2ccc(N3CCC([NH2+]Cc4n[nH]c5c4CCC5)CC3)cc2)cccc1	PC-id_42472339	434.529	ZWMKAFGSQKMHQP-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-137410
O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2	CoCoCo_6329944,ZINC22_27663076,PC-id_35042671	434.529	XBNHDHRLGZTIPX-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137411
O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2	ZINC22_27663074,PC-id_35042669,CoCoCo_6329943	434.529	XBNHDHRLGZTIPX-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137412
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	PC-id_5217867,EMOLS-id_3579360,ZINC22_9884498,CoCoCo_2840959,MCULE-5875133628	434.529	VWZHEGPDNKQGDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137413
s1c2c(CCC2)c(c1NC(=O)CCSc1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41325438	434.529	HONGBOCNRWISLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137414
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c([S@](=O)CC)cccc1)C)C(=O)N	PC-id_52515018	434.529	JGVVWUHKTXCDGD-QUPAAXDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137415
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c([S@@](=O)CC)cccc1)C)C(=O)N	PC-id_52515021	434.529	JGVVWUHKTXCDGD-IFHZELBCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137416
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c([S@](=O)CC)cccc1)C)C(=O)N	PC-id_52515024	434.529	JGVVWUHKTXCDGD-SUZVAJBCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137417
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c([S@@](=O)CC)cccc1)C)C(=O)N	PC-id_52515027	434.529	JGVVWUHKTXCDGD-BFHBOCCVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137418
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(S(=O)CC)cccc1)C)C(=O)N	PC-id_75861418	434.529	JGVVWUHKTXCDGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137419
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1c(sc(c1)C)C)C(=O)N	PC-id_18292122	434.529	MIFURLNZLVZNJQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137420
s1c2c(CCC2)c(c1NC(=O)CSc1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41320838	434.529	CGLMSUHFURJUJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137421
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCOC)cc1)C(=O)OC	PC-id_17353733	434.529	DXDREMILFUSIGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137422
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_24022164	434.529	FHDZAZVRSSUNNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137423
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCOC)cccc1)C(=O)OC	PC-id_17355924	434.529	CZEXQELHZSEOHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137424
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_24158490	434.529	YQBWLWFGNSJNNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137425
S(=O)(=O)(N1CCCC1)c1cc(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1	PC-id_16505650	434.529	HOUGVNCQEGSROA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137426
S(=O)(=O)(N1CCN(CC1)C(=O)COC(=O)c1sc2CCCc2c1)c1ccccc1	PC-id_3292560	434.529	CEQMXNPJCHIVAA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137427
CN(Cc1cocc1)Cc1cccc(c1)OC1CCN(CC1)C(=O)c1[nH]nc2c1CCC2	CoCoCo_1357643,CoCoCo_1357645,CoCoCo_1357642,ChEMBL-DNDi_CHEMBL40552422,CoCoCo_1357644	434.531	TUQMISWTFVBFND-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-137428
c1(NC(=O)CSc2nc(=O)cc(N)n2CC=C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1840705,PC-id_5032391,ZINC22_2484777,EMOLS-id_2574962,TIMTEC174673,SPECS-id_AK-968/41922040,MCULE-9931671776	434.532	GOPFLQYDVVYTSX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137429
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1	ZINC22_13624202,PC-id_17586534,EMOLS-id_4756754,STOCK6S-20982,MCULE-3887537837	434.532	WKMXVNOPRYAERE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137430
C=C(C)CNC1=C(C(=O)N)C(=N)[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S1	CoCoCo_3774083,ZINC22_13138722,CoCoCo_3774084	434.532	PYBLHJVYGYGGOB-CQSZACIVSA-N	00000011100000000000000010000000000000000000000000000000	25-01-137431
C=C(C)CNC1=C(C(=O)N)C(=N)[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S1	CoCoCo_3774085,CoCoCo_3774086,ZINC22_101946584,GD-id_ZINC13138722	434.532	PYBLHJVYGYGGOB-AWEZNQCLSA-N	00000011100000000000000010000000000000000000000000000000	25-01-137432
COC(=O)c1c(NC(=O)C2SC(=C(C2=N)C(=O)N)NCC(=C)C)sc2c1CCC2	EMOLS-id_3037330,CHEMBL1377920,MCULE-5947793566,ChEMBL-DNDi_CHEMBL1377920	434.532	PYBLHJVYGYGGOB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-137433
COC(=O)c1c(NC(=O)[C@@H]2SC(=NCC(=C)C)C(=C2N)C(=O)N)sc2c1CCC2	PC-id_92441828	434.532	DOAMNTJANBLBEF-CQSZACIVSA-N	00000011100000000000000010000000000000000000000000000000	25-01-137434
NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_257882645,MCULE-5342594883	434.532	YCVVUZBBXKJFDO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137435
s1c2c(CCC2)c(c1NC(=O)c1sc(NCC(=C)C)c(c1N)C(=O)N)C(=O)OC	PC-id_2414590	434.532	ACTUVWBWUSUZQE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137436
s1c2c(CCC2)c(c1NC(=O)C1SC(=NCC(=C)C)C(=C1N)C(=O)N)C(=O)OC	PC-id_4275156	434.532	DOAMNTJANBLBEF-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-137437
s1c2c(CCC2)c(c1NC(=O)[C@H]1SC(=NCC(=C)C)C(=C1N)C(=O)N)C(=O)OC	PC-id_25723517	434.532	DOAMNTJANBLBEF-AWEZNQCLSA-N	00000011100000000000000010000000000000000000000000000000	25-01-137438
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1cccnc1	PC-id_30893068	434.532	UZVUJPSIUDKXJN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-137439
S(=O)(=O)(N1CCN(CC1)C(=O)C)c1cc(ccc1)C(=O)Nc1sc2CCCc2n1	PC-id_26723252	434.532	RCOOTYLSUIBHDL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137440
Cc1c([C@@H]2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)N(C)S(=O)(=O)N2)cnn1C	PC-id_52469603,ZINC22_57730526	434.536	HMBBJNWAXHJYFT-LSDHHAIUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137441
Cc1c([C@@H]2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)N(C)S(=O)(=O)N2)cnn1C	PC-id_52469605,ZINC22_57730538	434.536	HMBBJNWAXHJYFT-GJZGRUSLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137442
Cc1c([C@H]2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)N(C)S(=O)(=O)N2)cnn1C	PC-id_52469606,ZINC22_57730541	434.536	HMBBJNWAXHJYFT-CABCVRRESA-N	00000010100010000001100010000000000000000000000000000000	25-01-137443
Cc1c([C@H]2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)N(C)S(=O)(=O)N2)cnn1C	ZINC22_57730534,PC-id_52469604	434.536	HMBBJNWAXHJYFT-HUUCEWRRSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137444
Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)N(C)S(=O)(=O)N1	PC-id_52469619,ZINC22_57730636	434.536	MHCLTZPUNAWZPT-LSDHHAIUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137445
Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)N(C)S(=O)(=O)N1	PC-id_52469621,ZINC22_57730650	434.536	MHCLTZPUNAWZPT-GJZGRUSLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137446
Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)N(C)S(=O)(=O)N1	PC-id_52469622,ZINC22_57730656	434.536	MHCLTZPUNAWZPT-CABCVRRESA-N	00000010100010000001100010000000000000000000000000000000	25-01-137447
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)N(C)S(=O)(=O)N1	ZINC22_57730644,PC-id_52469620	434.536	MHCLTZPUNAWZPT-HUUCEWRRSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137448
CN1C(CC(NS1(=O)=O)c1cn(C)nc1C)C(=O)Nc1sc2CCCc2c1C#N	ASN-11770386,MCULE-3284718453,EMOLS-id_30550743,PC-id_46950459	434.536	MHCLTZPUNAWZPT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137449
CC(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334336167	434.551	ONHVLDOMAHUDMA-JLHYYAGUSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137469
CN1C(CC(NS1(=O)=O)c1cnn(C)c1C)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_30550723,MCULE-3572150274,PC-id_46950449,ASN-11770233	434.536	HMBBJNWAXHJYFT-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137450
N/N=C(N(c1ccc(cc1)O)N)/SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_142561653	434.536	PNLDJLFXVREUOC-PTGBLXJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137451
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CCC(=O)N)C(=O)N	PC-id_31039903	434.536	XGKVRMFAUNXXLF-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-137452
S1Cc2c(nn(c2NC(=O)CSc2ncccn2)CC(=O)NCC2OCCC2)C1	PC-id_44053105	434.536	JENQKUOHRANZPB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137453
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccnc(C)n3)[nH]nc2C1(C)C)c1ccccc1	BindingDB_PC-id_59474216,BindingDB-id_218955,SCHEMBL1943669,PC-id_59474216	434.537	HEYDCDKYVGFDOG-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137454
CC(C(=O)N1CCOCC1)OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	MCULE-5953193181,EMOLS-id_43413908,PC-id_42899974	434.549	HJCWAOBKRGNBFB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137455
C[C@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C(=O)N1CCOCC1	CoCoCo_2889306,PC-id_41733065,ZINC22_10933041	434.549	HJCWAOBKRGNBFB-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137456
C[C@@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C(=O)N1CCOCC1	PC-id_41733067,CoCoCo_2889307,ZINC22_10933046	434.549	HJCWAOBKRGNBFB-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137457
c1(c2CCCc2sc1N=Cc1ccccc1OCC)C(=O)Nc1ccccc1OCC	PC-id_3784388,MCULE-9412413704	434.551	YUNCRGUVZOMIDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137458
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)CCC)C(=O)Nc1ccccc1OC	PC-id_4494696,CoCoCo_6794929,ZINC22_17099061,TIMTEC199803,EMOLS-id_4120146,MCULE-4249380806	434.551	HQWWGPBNVYAHCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137459
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4170858712,EMOLS-id_334385170	434.551	JOXRWSNZRJKKJS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137460
c1(NC(=O)c2ccccc2c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5724233285,EMOLS-id_334386970	434.551	ZAVYTMVPCHYERV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137461
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9429174534,EMOLS-id_334330276	434.551	QDHMOWMSVSPZMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137462
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3419683966,EMOLS-id_334334881	434.551	ITZBHCQYIQSGKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137463
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9211181000,EMOLS-id_334333857,PC-id_19114685	434.551	GWXAZJHKUSDUQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137464
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9579131400	434.551	ONHVLDOMAHUDMA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137465
c1(NC(=O)CCOc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4986001973,EMOLS-id_334335906	434.551	SVIPOMGMEJYXNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137466
c1(NC(=O)COc2ccc(cc2)C(C)(C)c2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_19170934,MCULE-4806199031	434.551	SBEVOBKCXQOOES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137467
c1(NC(=O)COCc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334335136,MCULE-7416846909	434.551	STHHKIIDGCCDEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137468
CCOc1ccccc1/C=Nc1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2	CoCoCo_6728589	434.551	YUNCRGUVZOMIDE-QQXSKIMKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137470
CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2	ZINC22_15945635,CoCoCo_6728588,EMOLS-id_46413589,TIMTEC581590,PC-id_9635796	434.551	YUNCRGUVZOMIDE-WGOQTCKBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137471
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc2CCCc12	MCULE-8757837917,EMOLS-id_328221815	434.551	DGMWQHXSSVIAAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137472
COC(=O)c1c(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)sc2c1CCC2	MCULE-7214270434,PC-id_2469874,ZINC22_3352764,CoCoCo_3026691,EMOLS-id_3140108	434.551	KYGOSDMHTDJFRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137473
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(CSCc1ccccc1)C(=O)O	MCULE-8419269769,EMOLS-id_328214393	434.551	YSYLYJIDWAMJMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137474
C=CC(=O)N1CCC(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)C3(C)C)CC1	ZINC22_1875371688	434.552	JDONUJMYOBYMJC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137475
COC(=O)c1c(NC(=O)CN2CCN(CC2)C(C(=O)NC2CC2)C)sc2c1CCC2	PC-id_43037823,MCULE-3610435788,EMOLS-id_44024495	434.552	GCFGWHDYHVHHOG-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-137476
COC(=O)c1c(NC(=O)CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)sc2c1CCC2	PC-id_30096683,ZINC22_22194575,CoCoCo_4462338,CoCoCo_4462340	434.552	GCFGWHDYHVHHOG-ZDUSSCGKSA-N	00100010100010000001000010000000000000000000000000000000	25-01-137477
COC(=O)c1c(NC(=O)CN2CCN([C@H](C)C(=O)NC3CC3)CC2)sc2c1CCC2	PC-id_30096687,CoCoCo_4462339,ZINC22_22194578,CoCoCo_4462337	434.552	GCFGWHDYHVHHOG-CYBMUJFWSA-N	00100010100010000001000010000000000000000000000000000000	25-01-137478
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC(=O)NC1CC1)C(=O)OCC	PC-id_45769294	434.552	SIHPGFSOSOMKFG-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-137479
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1CC(=O)NCCc1ccccc1	EMOLS-id_44394038,PC-id_44053817,ZINC22_90557756,MCULE-2693732013	434.554	MUXGPNFENXJMNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137480
c1(NC(=O)Cc2ccc(cc2)c2ccccc2)c2CSCc2nn1CC(=O)NCCC	CoCoCo_5277543,ZINC22_23138881,MCULE-6608072956,EMOLS-id_24913221,PC-id_30862204	434.554	ZXYXXJSNDVDWQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137481
c1(NC(=O)C(c2ccccc2)c2ccccc2)c2CSCc2nn1CC(=O)NCCC	MCULE-6947215453,EMOLS-id_24913153,ZINC22_23138775,PC-id_30862115,CoCoCo_5277506	434.554	UZSKMQWIULWXJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137482
c1(NC(=O)CCc2ccccc2)c2CSCc2nn1CC(=O)NCCc1ccccc1	CoCoCo_5277835,ZINC22_35596870,PC-id_44053872,MCULE-1465216928,EMOLS-id_28197486	434.554	ZDBAGHDGWHFJFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137483
c1(NC(=O)C(CC)c2ccccc2)c2CSCc2nn1CC(=O)NCc1ccccc1	MCULE-8895801688,PC-id_44053443,EMOLS-id_24913543	434.554	MNGHBGMACVNGJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137484
CC(Cc1ccc(cc1)C(c1nn2c(n1)SC(C2=O)CC(=O)Nc1ccccc1)C)C	PC-id_102259686	434.554	MJPATCDBODJQMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137485
CC[C@@H](C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2)c1ccccc1	ZINC22_23139510,CoCoCo_5277767,PC-id_30862746	434.554	MNGHBGMACVNGJZ-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137486
CC[C@H](C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2)c1ccccc1	ZINC22_23139512,PC-id_30862747,CoCoCo_5277768	434.554	MNGHBGMACVNGJZ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-137487
CCN(CC)c1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324849910	434.554	SYBBAVIUCQATGF-FXBPSFAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137488
CCN(CC)c1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324873223	434.554	NKGQKFJYLZUIHJ-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137489
CCN(CC)c1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324875274	434.554	BPBUETIPOPWGPT-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-137490
CCN(CC)c1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324881420	434.554	BRMJSSWKVCCPLG-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-137491
CCN(CC)c1ccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)cc1	EMOLS-id_324883471	434.554	ZDLBXNUSDHSUOQ-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137492
CCN(CC)c1ccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)cc1	EMOLS-id_324888584	434.554	HPABLISHMWWYNU-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137493
CN[C@@H](C)C(=O)Nc1nc2c(s1)CCC2C(=O)NC(c1ccccc1)c1ccccc1	CHEMBL567907,PC-id_45487858	434.554	CQEQWCFWGUVTQH-BUSXIPJBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137494
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)COc1ccc(cc1)CC	MCULE-2793149000	434.554	ZDLBXNUSDHSUOQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137495
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)COc1c(C)cccc1C	MCULE-3194645310	434.554	NKGQKFJYLZUIHJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137496
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)COc1cc(C)ccc1C	MCULE-6657715140	434.554	BRMJSSWKVCCPLG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137497
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)COc1cccc(C)c1C	MCULE-7044787829	434.554	BPBUETIPOPWGPT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137498
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)CCCOc1ccccc1	MCULE-3396902674	434.554	SYBBAVIUCQATGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137499
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)COc1cccc(CC)c1	MCULE-1188373301	434.554	HPABLISHMWWYNU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137500
O=C(C1CCc2c1ncs2)Nc1ccc(cn1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	PC-id_140657442	434.554	GDKKIFJOCUZYIO-OEQBWSROSA-N	00000010100000111001000010000000000000000000000000000000	25-01-137501
O=C([C@@H]1CCc2c1ncs2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1cccnc1)O	PC-id_76322043,BindingDB_PC-id_76322043	434.554	OYURTPRHVJSKRC-DZCCDHAISA-N	00000010100000111001000010000000000000000000000000000000	25-01-137502
O=C([C@@H]1CCc2c1ncs2)Nc1ccc(cn1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	PC-id_56650211,SCHEMBL16177857	434.554	GDKKIFJOCUZYIO-RTXPOLOASA-N	00000010100000111001000010000000000000000000000000000000	25-01-137503
s1c2CCC(c2nc1)C(=O)Nc1ccc(C[C@@H]2N[C@H](CC2)[C@H](O)c2cccnc2)cc1	PC-id_78426050	434.554	OYURTPRHVJSKRC-HCUTXMHJSA-N	00000010100000111001000010000000000000000000000000000000	25-01-137504
s1c2CCC(c2nc1)C(=O)Nc1ncc(CC2NC(CC2)C(O)c2ccccc2)cc1	PC-id_76386277	434.554	GDKKIFJOCUZYIO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-137505
s1c2CCC(c2nc1NC(=O)C(NC)C)C(=O)NC(c1ccccc1)c1ccccc1	PC-id_75116998	434.554	CQEQWCFWGUVTQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137506
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)CCCc1ccccc1	PC-id_44053444	434.554	VAKUGGGYBALNSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137507
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053816	434.554	NOQKYHUUBQEGRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137508
S1Cc2c(nn(c2NC(=O)Cc2cc(ccc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053869	434.554	UMELAHYGIRQTJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137509
Cc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCc3s2)cs1	MCULE-9156051797,EMOLS-id_323422043	434.556	SZCXBWJBRIFCQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137510
CN(C)S(=O)(=O)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1	PC-id_2422538,EMOLS-id_3091381,ZINC22_3306808,MCULE-4739523176,CoCoCo_3786114	434.556	OAAXVOJKADJMFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137511
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1sccc1)C(=O)OCC	PC-id_5186456	434.556	ITTWZXDMXKQZML-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-137512
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)Cc1sccc1)C(=O)OC	PC-id_16607394	434.556	IGZMVUWUACFNJT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-137513
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)C)C(=O)OC	PC-id_19725417	434.556	JCWACHVBWRXNNL-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-137514
CCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N1CCCCC1	MCULE-5815424643,PC-id_16373343,EMOLS-id_48955189,ZINC22_9884995,CoCoCo_3677616	434.572	BVVJRCPCCQCDAU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-137515
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cc2c(s1)CCC2	PC-id_16342314,CoCoCo_3312812,EMOLS-id_11785461,ZINC22_9513045,MCULE-5033376970	434.572	UZKOASVWRJQRPK-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-137516
COC(=O)c1c(NC(=O)CN(Cc2cccs2)CC2CCCO2)sc2c1CCC2	EMOLS-id_17206091,PC-id_24245885,MCULE-8364587066	434.572	XTKVVOLZWKRQOT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137517
COC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2	CoCoCo_3985363,PC-id_27652891,ZINC22_17307867,CoCoCo_3985365	434.572	XTKVVOLZWKRQOT-CQSZACIVSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137518
COC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2	ZINC22_17307866,PC-id_27652889,CoCoCo_3985362,CoCoCo_3985364	434.572	XTKVVOLZWKRQOT-AWEZNQCLSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137519
s1c2c(CCC2)c(c1NC(=S)NCc1cc(OCC)c(OCC)cc1)C(=O)OC	PC-id_20172406	434.572	UJCAISNWPPEXNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137520
c1(C(=O)N2CCC(CC2)C2CCCCN(CCc3ccccc3)C2=O)c2CCCc2[nH]n1	EMOLS-id_189527,BDE-25213976,MCULE-6812838255,PC-id_110261902	434.574	YQEYSULZPUMKBA-UHFFFAOYSA-N	00000010100010110101100010000000000000000000000000000000	25-01-137521
C[C@]1(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)CCCCN(Cc2ccccc2)C1=O	PC-id_92631351,ZINC22_19744063	434.574	VJMZNNIXXAXZBG-AREMUKBSSA-N	00000010100010110101100010000000000000000000000000000000	25-01-137522
C[C@@]1(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)CCCCN(Cc2ccccc2)C1=O	ZINC22_19744061,PC-id_92631350	434.574	VJMZNNIXXAXZBG-SANMLTNESA-N	00000010100010110101100010000000000000000000000000000000	25-01-137523
Cc1ccc(cc1)[C@H](c1ccccc1)[NH2+][C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC14934022	434.574	XRNLFSLKOAWMCS-ZHRRBRCNSA-O	00000010100000110000000010000000000000000000000000000000	25-01-137524
CC1(CCCCN(Cc2ccccc2)C1=O)C1CCN(CC1)C(=O)c1n[nH]c2CCCc12	MCULE-6131071160,EMOLS-id_46581651,PC-id_110261903,BDE-25213983	434.574	VJMZNNIXXAXZBG-UHFFFAOYSA-N	00000010100010110101100010000000000000000000000000000000	25-01-137525
O=C1N(C(=O)c2c1c(n(c2C)CCCC)C)C/C=C/CN1CCN(CC1)c1ccccc1	PC-id_10003058	434.574	FKZJLMRTNUVGIW-MDZDMXLPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137526
O=C1N(C(=O)c2c1c(n(c2C)CCCC)C)CC=CCN1CCN(CC1)c1ccccc1	PC-id_85088964	434.574	FKZJLMRTNUVGIW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137527
O=C(c1n[nH]c2c1CCC2)N1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1	PC-id_92631348,ZINC22_19744057	434.574	YQEYSULZPUMKBA-OAQYLSRUSA-N	00000010100010110101100010000000000000000000000000000000	25-01-137528
O=C(c1n[nH]c2c1CCC2)N1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1	ZINC22_19744059,PC-id_92631349	434.574	YQEYSULZPUMKBA-NRFANRHFSA-N	00000010100010110101100010000000000000000000000000000000	25-01-137529
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)C1CC(=O)N(C1)c1ccc(c(c1)C)C	PC-id_92109838	434.574	WIHWNOJXNIATSH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137530
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(c2ccccc2)cccc1)C)C)C(=O)N	PC-id_52856570	434.574	RKPYTEDEROFPFQ-INIZCTEOSA-O	00000010100000110000100010000000000000000000000000000000	25-01-137531
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(c2ccccc2)cccc1)C)C)C(=O)N	PC-id_52856572	434.574	RKPYTEDEROFPFQ-MRXNPFEDSA-O	00000010100000110000100010000000000000000000000000000000	25-01-137532
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(c2ccccc2)cccc1)C)C)C(=O)N	PC-id_75944381	434.574	RKPYTEDEROFPFQ-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-137533
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)c2CSCc2nn1C(C)(C)C	BindingDB_PC-id_3242072,ZINC22_2474941,BindingDB-id_206846,ChEMBL-DNDi_CHEMBL1303909,CoCoCo_4972683,PC-id_3242072,MCULE-7645897864,CHEMBL1303909,EMOLS-id_5426293	434.575	VLCJUHUAIHWAJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137534
c1(NC(=O)CSc2nnc(C3CC3)n2CCC)sc2c(CCC2)c1C(=O)OCC	MCULE-8855769916,ZINC22_17099157,PC-id_17372529,EMOLS-id_4120288,CoCoCo_6807211,TIMTEC57385	434.575	APBVKXJTGVQAKD-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-137535
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)N1CCCC1)C)C(=O)N	PC-id_30617809	434.575	RVGPJTWQYHTTKF-AWEZNQCLSA-O	00000010100010000001000010000000000000000000000000000000	25-01-137536
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)N1CCCC1)C)C(=O)N	PC-id_30617818	434.575	RVGPJTWQYHTTKF-CQSZACIVSA-O	00000010100010000001000010000000000000000000000000000000	25-01-137537
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)N1CCCC1)C)C(=O)N	PC-id_85468282	434.575	RVGPJTWQYHTTKF-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-137538
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CCCCC2)c(nn1)C)C(=O)OC	PC-id_16516643	434.575	NSDXPADDAICPQU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137539
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)CC1CCCC1)C(=O)OCC	PC-id_16587713	434.575	QYBLICNTQATHFL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137540
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC)C(=O)OC	PC-id_20125335	434.575	WWXABYSFRAZJIT-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-137541
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)C)C(=O)OCC	PC-id_20125235	434.575	LIINLIZSOPYBCU-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-137542
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)C)C(=O)OC	PC-id_20125546	434.575	CLAWQUAZNCDQIX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137543
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC=C)C(=O)OCC	PC-id_19717184	434.575	ITLXBGGJWQZODC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137544
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1	PC-id_44060322	434.575	OYFVXBKANIFOAG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137545
S(c1n(c(nn1)C1CC1)C(C)C)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19727146	434.575	LVSFEGPLSWDBDY-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-137546
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2CCCc2n1)c1c(ccc(c1)C)C	PC-id_60499822	434.575	ZDWVOFYNVGHGFE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137547
CCc1c(cccc1C)C=Cc1c(n2ccsc2n1)C(=O)Nc1nc2c(s1)CCC2	PC-id_91113773	434.577	RAUSDRWIUFUSAE-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-137548
CCSC1=Nn2c(C1(N)Nc1c(SCC)[nH]n3c1nc(n3)CC)nc(n2)C(C)C	SCHEMBL7673311	434.585	BTFAIBNDCBZVQS-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-137549
CCSC1=Nn2c(C1(N)Nc1c(SCC)[nH]n3c1nnc3CC)nnc2C(C)C	PC-id_70158813,SCHEMBL7671436	434.585	APUGYLINDJIUDX-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-137550
S(C1=Nn2nc(nc2C1(Nc1c2n([nH]c(n2)CC)nc1SCC)N)C(C)C)CC	PC-id_70159320	434.585	CDKXDJASIQPQIS-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-137551
C1CCC(CC1)CNC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(O)O	SCHEMBL20354012,PC-id_135200425	434.592	XBMSNHLXWXMFAJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137552
CCOC(=O)c1c(NC(=O)CCCC(=O)NC(C)C2CCCCC2)sc2CCCc12	EMOLS-id_328231015,MCULE-4014919365	434.592	NQTWLFREXPTGQL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137553
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)CCN1CCOCC1)C)C(=O)N	PC-id_56221085	434.595	VSGSROYKHNASSH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137554
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NC(C(C)C)C)C)C(=O)N	PC-id_56292721	434.595	DENOYWAYNXLLJL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137555
S1CC[NH+](C[C@H](O)COc2c(OC)cc(C[NH2+]Cc3n[nH]c4c3CCC4)cc2)CC1	PC-id_42197240	434.595	JIRZNFIOGJFEHQ-KRWDZBQOSA-P	00000010100010110001000010000000000000000000000000000000	25-01-137556
S1CC[NH+](C[C@@H](O)COc2c(OC)cc(C[NH2+]Cc3n[nH]c4c3CCC4)cc2)CC1	PC-id_42197242	434.595	JIRZNFIOGJFEHQ-QGZVFWFLSA-P	00000010100010110001000010000000000000000000000000000000	25-01-137557
S1CC[NH+](CC(O)COc2c(OC)cc(C[NH2+]Cc3n[nH]c4c3CCC4)cc2)CC1	PC-id_74778774	434.595	JIRZNFIOGJFEHQ-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-137558
c1(c2CCCc2[nH]n1)C(=O)N(C1CCCC1)CC1CCN(CC1)CCc1ccccc1C	ZINC22_11935168,EMOLS-id_20446781,CoCoCo_1195841,CoCoCo_1195840,CoCoCo_1195839,MCULE-1402837116,CoCoCo_1195842,PC-id_42288914	434.617	WKDHSEJGSBXSHQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137559
s1c2[n+](c(CC(=O)N3CCC(CC3)CCC(=O)NCC3N(CCC3)CC)c1)CCN2	PC-id_75836642	434.619	QXJGPWAVVGIOCM-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-137560
s1c2[n+](c(CC(=O)N3CCC(CC3)CCC(=O)NC[C@@H]3N(CCC3)CC)c1)CCN2	PC-id_52379416	434.619	QXJGPWAVVGIOCM-GOSISDBHSA-O	00000010100010000001000010000000000000000000000000000000	25-01-137561
s1c2[n+](c(CC(=O)N3CCC(CC3)CCC(=O)NC[C@H]3N(CCC3)CC)c1)CCN2	PC-id_52379418	434.619	QXJGPWAVVGIOCM-SFHVURJKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-137562
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1OC	EMOLS-id_324912644	434.725	CCCTVXMLDZKDAZ-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137563
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1OCC	EMOLS-id_324911620	434.725	UOUKKZLFEXZRHQ-WQLSENKSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137564
n12c(=O)c(=Cc3ccc(c(OC)c3)OCCC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1805082684	434.725	CCCTVXMLDZKDAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137565
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5408407265	434.725	UOUKKZLFEXZRHQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137566
Clc1ccc(/C=C/c2nc3s/c(=Cc4c(Cl)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_45966195,ZINC22_16735265	434.726	JQDODZGMWNYNCE-RKQKHZQPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137567
n12nc(nc1sc(=Cc1c(cccc1Cl)Cl)c2=O)C=Cc1ccc(cc1)Cl	MCULE-3948338263	434.726	JQDODZGMWNYNCE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137568
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)C=Cc1ccc(cc1)Cl	MCULE-9671779159	434.726	YTIFLBAXUPDHMZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137569
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2684086756	434.726	PSTIXZZQKJRLOT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137570
CCC(C(=O)NCCn1cc(Cl)c(n1)[N+](=O)[O-])n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867713,PC-id_19591101,TIMTEC427441,MCULE-8617093988	434.801	RKOZIWZFHBVEOG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137571
CC[C@@H](C(=O)NCCn1cc(Cl)c([N+](=O)[O-])n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607604,PC-id_29092511	434.801	RKOZIWZFHBVEOG-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-137572
CC[C@H](C(=O)NCCn1cc(Cl)c([N+](=O)[O-])n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607605,PC-id_29092512	434.801	RKOZIWZFHBVEOG-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137573
Clc1c(=O)n(CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(c1)C(F)(F)F	PC-id_16498056	434.817	GTNOVUMYCBYVCF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-137574
Clc1ccc(cc1)Cn1c2c(nc1C(C)(C)C)CCC2C(C(=O)O)(C(=O)O)C(=O)O	PC-id_71205725,SCHEMBL14563211	434.87	JRGHLHDNKLVQMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137575
c1(NC(=O)c2c(cccc2Cl)F)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862630,EMOLS-id_24913463,ZINC22_23139371,MCULE-4441346025,CoCoCo_5277720	434.872	HPWCLMZXXPNDLB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-137576
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)ccc(F)c1	PC-id_44053330	434.872	WETPHAYXBMXCLM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-137577
CCOC(=O)n1nc2c(c1NC(=O)Cc1ccc(cc1)OC)CN(C2(C)C)C(=O)Cl	SCHEMBL1204593,PC-id_58015697	434.873	FQRTVQCMEQPFTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137578
Clc1ccc(cc1)N(C(=O)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCCCC1	PC-id_69481752,SCHEMBL5544286	434.873	KMTDAHNDYDUFBN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137579
Clc1ccc(cc1)N(C(=O)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCCCC1	SCHEMBL5544275,PC-id_69481748	434.873	KMTDAHNDYDUFBN-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137580
Clc1ccc(cc1)N(C(=O)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCCCC1	SCHEMBL5544280,PC-id_69481750	434.873	KMTDAHNDYDUFBN-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137581
C1CCc2n1c(c(c2C#N)/N=C/c1ccc(c(c1)OC)O)C(=O)Nc1ccc(cc1)Cl	CHEMBL578444	434.875	FESKDUJQTSFXDP-LGJNPRDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137582
Clc1ccc(NC(=O)c2n3c(CCC3)c(c2N/C=C/C=C(OC)C(=O)C=C2)C#N)cc1	PC-id_45112442	434.875	UJDFBNAIBKYHBQ-BUHFOSPRSA-N	00000010100011110000000010000000000000000000000000000000	25-01-137583
Clc1ccc(NC(=O)c2n3c(CCC3)c(c2NC=C2C=C(OC)C(=O)C=C2)C#N)cc1	PC-id_75093583	434.875	UJDFBNAIBKYHBQ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-137584
COc1c(ccc(c1)C=Nc1c(n2CCCc2c1C#N)C(=O)Nc1ccc(cc1)Cl)O	PC-id_135860203	434.875	FESKDUJQTSFXDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137585
Clc1cc(c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1)C(F)(F)F	PC-id_19676151	434.883	XRIWIGITWGYBJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137586
Clc1c(cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1)C(F)(F)F	PC-id_19676668	434.883	AKUNWNNLIAVPIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137587
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc(cc1)C(F)(F)F	PC-id_20412126	434.883	HTFKKUVUZAIVTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137588
NC(=O)c1c(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)sc2c1CCC2	EMOLS-id_3419837,CoCoCo_2883096,ZINC22_9442641,MCULE-2681770370,PC-id_4847241	434.883	RMYNXBSZPIOUNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137589
NC(=O)c1c(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)sc2c1CCC2	CoCoCo_2924964,ZINC22_13014179,EMOLS-id_3506635,PC-id_3399504,MCULE-6728974343,CHEMBL4534509	434.893	WNDRJLSKKZLEDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137590
Clc1ccc(cc1)CCCOC1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481515,SCHEMBL5543132	434.916	ZWUINPJEKUOQSN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137591
Clc1ccc(cc1)CCCOC1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5543125,PC-id_69481512	434.916	ZWUINPJEKUOQSN-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137592
Clc1ccc(n2nnnc2SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_2610131	434.923	XYKPBNKUZHDJGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137593
NC(=O)c1c(NC(=O)CSc2nnnn2c2cccc(Cl)c2)sc2c1CCC2	EMOLS-id_16810015,PC-id_25529266,ZINC22_12811168,CoCoCo_3861801,MCULE-2517280659	434.923	SKEFTCUMEZBMGS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137594
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5332267746,EMOLS-id_334335397	434.936	OXYKPYUKAFUIPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137595
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332846,MCULE-7236293923	434.936	KHOUNLWOVAMROB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137596
CC(C)(CC(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl)CC(=O)O	SCHEMBL20353971,PC-id_135200386	434.936	ZASGJNVOHAYCEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137597
CC(C)[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(Cl)cc1	PC-id_41046172,ZINC22_9386520	434.936	IJEIZGPDUVTZNI-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137598
CC(C)[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(Cl)cc1	PC-id_41046175,ZINC22_9386523	434.936	IJEIZGPDUVTZNI-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137599
Clc1ccc(C(C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	EMOLS-id_43689276,MCULE-4587596234,PC-id_42971625	434.936	IJEIZGPDUVTZNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137600
Clc1ccccc1COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_327812189	434.938	MGOOXBNYUPWWFY-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137601
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(cc1)OCc1ccccc1Cl	MCULE-1692865996	434.938	MGOOXBNYUPWWFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137602
c1(NC(=O)Cc2ccccc2Cl)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053103,MCULE-3927593140,EMOLS-id_24913371	434.94	OODTZVKIFMPMLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137603
CCOC(=O)C1CCCN(C1)C(C1C(=O)n2c(nc(n2)C)S1)c1ccccc1Cl	PC-id_134715973	434.94	SKFQJJJDSQJHQL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137604
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc1	PC-id_44053184	434.94	JEPAKKSZGGWPNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137605
O=C(Cn1nc2c(c1NC(=O)Cc1ccccc1Cl)CSC2)NC[C@@H]1CCCO1	CoCoCo_5277652,PC-id_30862475,ZINC22_23139175	434.94	OODTZVKIFMPMLE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137606
O=C(Cn1nc2c(c1NC(=O)Cc1ccccc1Cl)CSC2)NC[C@H]1CCCO1	ZINC22_23139178,CoCoCo_5277653,PC-id_30862479	434.94	OODTZVKIFMPMLE-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137607
Clc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_17195670	434.959	KLWLZXZMNOADIT-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137608
Clc1ccc(C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_73373765	434.959	KLWLZXZMNOADIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137609
Clc1c(C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_4508503	434.959	UNKMCHOGGJILBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137610
Clc1c(/C=C/C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_6133855	434.959	UNKMCHOGGJILBS-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137611
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCCC2)c(OC)cc1	PC-id_26875337	434.959	LGXUQAXSGMGMNW-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-137612
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1cc(Cc2cccc(Cl)c2)cc(C)n1	BDD-26205742,PC-id_110252647,MCULE-1015922073,EMOLS-id_162025	434.961	HDEIKQTTXHNDNO-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-137613
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)c1cc(cc(C)n1)Cc1ccccc1Cl	PC-id_110252646,MCULE-4683447550,BDD-26205740,EMOLS-id_162023	434.961	LBOOKAXPWYTNEJ-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-137614
Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1	MCULE-7516321983,PC-id_92616881,BDE-25461712,ZINC22_19691571	434.961	PCXYJWINLUYAFR-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-137615
Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	PC-id_95814289,ZINC22_72354012	434.961	LBOOKAXPWYTNEJ-LJQANCHMSA-N	00000010100010111001100010000000000000000000000000000000	25-01-137616
Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	PC-id_95814290,ZINC22_72354013	434.961	LBOOKAXPWYTNEJ-IBGZPJMESA-N	00000010100010111001100010000000000000000000000000000000	25-01-137617
Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	PC-id_95814291,ZINC22_72354014	434.961	HDEIKQTTXHNDNO-LJQANCHMSA-N	00000010100010111001100010000000000000000000000000000000	25-01-137618
Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1	ZINC22_72354015,PC-id_95814292	434.961	HDEIKQTTXHNDNO-IBGZPJMESA-N	00000010100010111001100010000000000000000000000000000000	25-01-137619
CCCCN1/C(=C/C(=O)c2cc(Cl)ccc2OC)/SC2=C1C(=O)NC2(CC)CC	SCHEMBL4784745,PC-id_24951431	434.979	QGPSAKMQGABDIS-AQTBWJFISA-N	00000011000000110001000010000000000000000000000000000000	25-01-137620
Clc1cc(C(=O)C=C2SC3=C(C(=O)NC3(CC)CC)N2CCCC)c(OC)cc1	PC-id_69188938	434.979	QGPSAKMQGABDIS-UHFFFAOYSA-N	00000011000000110001000010000000000000000000000000000000	25-01-137621
Clc1cc(C(=O)/N=c/2sc3c(n2CC2CCC2)C(OC3(C)C)(C)C)c(OC)cc1	SCHEMBL945135,PC-id_25123307	434.979	ZZGIFZCRDFWSQZ-GFMRDNFCSA-N	00001010100000110001000010000000000000000000000000000000	25-01-137622
COc1ccc(cc1C(=O)N=c1sc2c(n1CC1CCC1)C(OC2(C)C)(C)C)Cl	SCHEMBL945138	434.979	ZZGIFZCRDFWSQZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-137623
Clc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)NCCC[NH+](CC)CC)ccc1	PC-id_2220318	435.003	FXGDKXSRAPKWRL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-137624
CC1=CC=CC=C1C(=O)C2=C(SC3=C2CC(C3)C(=O)OC)NC(=O)CBr	PC-id_165010036	435.014	RPLKBZNZLXXMFW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137625
CC1CCc2c1c(Br)nn2Cc1cc(F)ccc1I	EMOLS-id_330969329,MCULE-9929047232	435.073	PGHJGMKQNBPKGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137626
CC1CCc2c1c(Br)nn2Cc1c(F)cccc1I	EMOLS-id_330973168,MCULE-9233526942	435.073	GQBJXWKZPMDHTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137627
CC1CCc2c1c(I)nn2Cc1cc(Br)ccc1F	EMOLS-id_330980346,MCULE-3719942327	435.073	GZYLSBOOBNQSDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137628
CC1CCc2c1c(I)nn2Cc1ccc(Br)cc1F	EMOLS-id_330978810,MCULE-4062334320	435.073	SLYGETFASZNFLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137629
CC1CCc2c1c(I)nn2Cc1ccc(Br)c(F)c1	MCULE-5285569933,EMOLS-id_330979066	435.073	XXKWJERDKDZLND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137630
CC1CCc2c1c(I)nn2Cc1cccc(Br)c1F	EMOLS-id_330980602,MCULE-3383822038	435.073	QAXRRHLKHCVUBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137631
CC1CCc2c1c(I)nn2Cc1cccc(F)c1Br	EMOLS-id_330978555,MCULE-7461086026	435.073	IHUGTJTWBGACJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137632
CC1CCc2c1c(I)nn2Cc1ccc(F)c(Br)c1	EMOLS-id_330980090,MCULE-7745521382	435.073	VWXIKBLGHVYZLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137633
CC1CCc2c1c(I)nn2Cc1ccc(F)cc1Br	EMOLS-id_330978043,MCULE-2129417283	435.073	QRJXJHQAQVFEPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137634
CC1CCc2c1c(I)nn2Cc1cc(F)cc(Br)c1	MCULE-7185442180,EMOLS-id_330980858	435.073	FVYDWKPZLONZDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137635
CC1CCc2c1c(I)nn2Cc1c(F)cccc1Br	MCULE-8973531783,EMOLS-id_330978299	435.073	ZZXUPLBQGXFBOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137636
CC1CCc2nn(Cc3cc(Br)ccc3F)c(I)c12	MCULE-4526871189,EMOLS-id_330964406	435.073	YLKYFXHMZNIXQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137637
CC1CCc2nn(Cc3ccc(Br)cc3F)c(I)c12	MCULE-3526713456,EMOLS-id_330962870	435.073	QYMCMCHMLZHKRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137638
CC1CCc2nn(Cc3ccc(Br)c(F)c3)c(I)c12	MCULE-9775647926,EMOLS-id_330963126	435.073	QJJNZBPPOVWQJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137639
CC1CCc2nn(Cc3cccc(Br)c3F)c(I)c12	EMOLS-id_330964662,MCULE-9756993326	435.073	WRMMHWQCZBRLSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137640
CC1CCc2nn(Cc3cccc(F)c3Br)c(I)c12	EMOLS-id_330962615,MCULE-3167901779	435.073	AHSRBNPSCOSFMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137641
CC1CCc2nn(Cc3ccc(F)c(Br)c3)c(I)c12	MCULE-4256615193,EMOLS-id_330964150	435.073	FRURQEZFQYVYNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137642
CC1CCc2nn(Cc3ccc(F)cc3Br)c(I)c12	MCULE-7191997131,EMOLS-id_330962103	435.073	WYTYOGZRKMAUTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137643
CC1CCc2nn(Cc3cc(F)cc(Br)c3)c(I)c12	MCULE-5267528832,EMOLS-id_330964918	435.073	FFRITMHYCUYNDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137644
CC1CCc2nn(Cc3cc(F)ccc3I)c(Br)c12	MCULE-6547487761,EMOLS-id_331016877	435.073	JRBGHMDTJXHPIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137645
CC1CCc2nn(Cc3c(F)cccc3Br)c(I)c12	EMOLS-id_330962359,MCULE-5819361188	435.073	VLCYCEJUIHQPAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137646
CC1CCc2nn(Cc3c(F)cccc3I)c(Br)c12	EMOLS-id_331016621,MCULE-2167275246	435.073	VTSHGZHXPPEYSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137647
C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CCNC(=O)[O-])(C(=O)NO)S(=O)(=O)C	PC-id_154031108	435.098	QWAYIRDPHGEHRE-GOSISDBHSA-M	00000010100000000001000010000000000000000000000000000000	25-01-137648
CC(=C(C=C)S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3Cl)C	PC-id_164872134	435.102	BLQOMCORRYVIRJ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137649
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C)CC(F)(F)F	PC-id_164931919	435.119	JDKYTSOCBXVYQG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137650
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CN(N=C3)CCC(F)(F)F	PC-id_164931977	435.119	NNAHROWIZXDGSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137651
CCN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872065	435.119	NQSCHBQYMIJRBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137652
CCN1C(=C(C=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C)C(F)(F)F	PC-id_164872233	435.119	FAMPAUCMABGEND-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137653
C1CNNC1C2=NC=C(C=C2)OCC3=CC(=CC=C3)C(=O)N4CC5=C(C4)OC(=N5)C(=O)O	PC-id_165112590	435.154	PXIVTWGFNSDATQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-137654
CC1=C2CN(S(=O)(=O)C2=C(S1)C)CCCCCCOOC/C=CC3=CC=CC=C3	PC-id_160475095	435.154	NVELPUBTRFORDR-RAXLEYEMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137655
C1CC(C1)CN2C=C3CN(CC3=N2)C(=O)CC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-]	PC-id_160920297	435.171	MBWHOEQFMHASKE-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-137656
CC1=C(N2CCCC2=C1C(=O)C(=O)CC3(CC3)C4=NNN=C4)C(=O)NC5=CC(=CC=C5)F	PC-id_161151200	435.171	NBLARJNOGWCAJD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137657
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3)C(=O)C4=C(N=CC=C4)SC	PC-id_149150082	435.173	WIFSNJRKRRVBPL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-137658
CN(C)C(=O)N1CC2=C(C1)NN=C2C(=O)N3CCC(CC3)C4=CC=CC=C4C(F)(F)F	PC-id_150073534	435.188	DPTWPPCQIZESKC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137659
CCOC1=NC=C(C(=N1)NC2=NNC3=C2CN(C3(C)C)C(=O)C4CC(CCN4C)F)F	PC-id_153978665	435.219	ZJDAXSDPCXWYHX-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-137660
Brc1ccc(cc1)OCc1nnn(c1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19542444	435.232	BMHHMLKYDGTPNU-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137661
Brc1ccc(cc1)OCc1nnn(c1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19603097	435.232	BMHHMLKYDGTPNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137662
CC1=C2CCC(C2=NN1)NC(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CC(C5)(C)OC)C	PC-id_153403996	435.238	NWLKBMBNLVLWJZ-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-137663
Brc1cc(sc1Br)C(NCCC)c1sc2c(CCC2)c1	PC-id_80533750	435.24	ZNRNBGMHDAHXBI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137664
Brc1sc(Br)cc1C(NCCC)c1sc2c(CCC2)c1	PC-id_43497833	435.24	VOSJBPNPORDPRJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137665
Clc1cc(Cl)cc(c1)C(=CC(=O)c1sc(c2c1CCC2)C(=O)O)C(F)(F)F	PC-id_140615281	435.244	FHZZLWHIBDQOFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137666
O=C(N1Cc2c(C1)c(nn2C(=O)OC(C)(C)C)I)OC(C)(C)C	SCHEMBL19358337	435.257	VTEKSWUIFGUGIL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137667
Brc1ccc(o1)C(=O)Nc1sc2CCCc2c1C(=O)NCc1ccco1	MCULE-8137490902,EMOLS-id_334340514	435.292	UZHIHTLGEKOONO-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-137668
Brc1cc(OCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_24349511	435.292	ZNIWRIRUZNMPQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137669
C=CC(=O)Nc1cccc(C(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)c1	ZINC22_1301501031	435.292	WETCXDFAMXPIIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137670
C=CC(=O)Nc1ccc(C(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)cc1	ZINC22_1587177645	435.292	DUSYKEYQFXRHPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137671
COC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(Br)c1	ZINC22_31809700,MCULE-3875229435,EMOLS-id_25660206,CoCoCo_4646632,PC-id_39036055	435.292	WODPUSCSCRFOAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137672
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6940916485,EMOLS-id_334337452	435.324	DGSRUSMOHVQDHS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137673
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337956,MCULE-2020488119	435.324	NPDWTKZUEQVZQX-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137674
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334341024,MCULE-9103588277	435.324	KDZLPXVLSBDHBP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137675
FC1CN(CC1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19609338	435.324	TZNYPYOPRHYTOQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137676
FC1CN(C[C@@H]1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	PC-id_145399913	435.324	TZNYPYOPRHYTOQ-WHXUTIOJSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137677
F[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F	SCHEMBL19584679	435.324	TZNYPYOPRHYTOQ-ZACCUICWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137678
O=C(C1CCc2n1c(=O)n(n2)Cc1ccnc(c1F)C(F)(F)F)N1CCC(C1)(F)F	SCHEMBL19609584	435.324	MSUKFWCFVPKEED-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-137679
Brc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)OC(C)(C)C)C	SCHEMBL18498446	435.333	ZGUKAJKWGUQUSK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137680
Brc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)OC(C)(C)C)C	SCHEMBL18730005	435.333	ZGUKAJKWGUQUSK-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137681
Brc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)N)c(OCC)cc1	PC-id_19185282	435.335	XMLWTYIDHSEJOG-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137682
c1(NC(=O)C=Cc2cc(Br)ccc2OCC)sc2c(CCC2)c1C(=O)N	PC-id_73560671,MCULE-6395905379	435.335	XMLWTYIDHSEJOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137683
FC(F)(F)Oc1ccc(c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1228678,PC-id_49855247	435.353	SKMAQZSSDQYMHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137684
CCCCCCCCCCCCc1c(Br)sc2c1C(=O)C(C2=O)(F)F	PC-id_139254647	435.366	KUPHHBBNUAUWQW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-137685
CC1(C)Cc2cc(C(=O)O[C@@H](Cn3ccnc3)c3ccc(Cl)cc3Cl)sc2C1	ZINC22_2325874710	435.367	YCHZBVGLKOYRSU-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137686
CC1(C)Cc2cc(C(=O)O[C@H](Cn3ccnc3)c3ccc(Cl)cc3Cl)sc2C1	ZINC22_2325874711	435.367	YCHZBVGLKOYRSU-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137687
c1(C(=O)c2ccc(cc2)Br)c2CCCc2sc1NC(=O)CN(CC)CC	ASN-05338765,PC-id_1465615,MCULE-6514085070,ZINC22_13496061	435.378	SCEDMECKYFAUAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137688
S(=O)(=O)(n1nc(c2CC(OS(=O)(=O)C(F)(F)F)Cc12)C#N)c1ccc(cc1)C	PC-id_58713633	435.398	YWIMBTYVOWHLNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137689
CC1(c2c(CN1C(=O)Nc1c(cc(cc1P)F)F)c(n[nH]2)NC(=O)C1(CCC1)C)C	PC-id_134426808,SCHEMBL20060419	435.407	ISRKTTPFPALICX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-137690
Cc1ncc(s1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cnn2CC(F)F)[N+](=O)[O-]	PC-id_142402212	435.408	AMWWKZAJEJENDR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-137691
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COc1ccc(cc1)c1ccc(cc1)C(F)(F)F	PC-id_137658920	435.42	CJZXHRANGXJQKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137692
s1c2CCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1ncc(cc1)C(F)(F)F)C	PC-id_31260459	435.423	HWVYWKWYPAKZRD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-137693
COc1ccc(c(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)OC	PC-id_68441780,SCHEMBL2921946	435.433	GGHKVEPBPKWGTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137694
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)OC	PC-id_68442072,SCHEMBL2922636	435.433	WRIKVUBWGBCPMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137695
COc1ccc(cc1OC)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NC(=O)c1ccccc1	SCHEMBL2917958,PC-id_68440474	435.433	OKVWWFRGYOTUJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137696
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	SCHEMBL2921928,PC-id_68441770	435.433	MBKLVHNDGJFUNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137697
O=C(NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C1n2c(nnc2Cc2ccccc2)CC1	PC-id_77599603	435.433	BBWTVHRHXLEMEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137698
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C1n2c(nnc2Cc2ccccc2)CC1	SCHEMBL4524812,PC-id_69078685	435.433	BBWTVHRHXLEMEX-ZENAZSQFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137699
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)[C@H]1n2c(nnc2Cc2ccccc2)CC1	SCHEMBL4524786,PC-id_69078669	435.433	BBWTVHRHXLEMEX-ROUUACIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137700
NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_16383421,PC-id_4505655	435.434	LVDQFBPSZKOGFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137701
c1(C(F)(F)F)nnc(SCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)n1N	CoCoCo_1966825,EMOLS-id_6783998,MCULE-6713278474,ZINC22_3619734,PC-id_5107653	435.444	LVXLHIZZMOLRGT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137702
CCOC(=O)C1CCc2c1nc(s2)NC(=O)C1CN(C1)C(=O)c1cc(c(cc1)F)F	PC-id_90513824	435.444	JJYUTCNKOKYNJB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-137703
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c(C)nn(Cn3c(C)cc(C)n3)c2C)n1	ZINC22_20607510,TIMTEC502104,EMOLS-id_8867647,PC-id_19591071,MCULE-7777992284	435.446	VJUHNTOZSNBYMO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137704
CCC(C(=O)Nc1cnn(Cc2cnn(CC)c2)c1)n1nc(c2CCCc12)C(F)(F)F	TIMTEC489872,PC-id_19590822,MCULE-7831472965,EMOLS-id_8867131	435.446	UWDUDKFXCTUNFM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137705
CC[C@@H](C(=O)Nc1cnn(Cc2cnn(CC)c2)c1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092537,ZINC22_20607648	435.446	UWDUDKFXCTUNFM-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137706
CC[C@H](C(=O)Nc1cnn(Cc2cnn(CC)c2)c1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092538,ZINC22_20607650	435.446	UWDUDKFXCTUNFM-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137707
C[C@@](CCN1Cc2cc(C#CC#CC3(O)COC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18729867,PC-id_118368890,CHEMBL4442801	435.451	UOIRKRQJXJETJS-GOSISDBHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137708
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(O)COC1)C	SCHEMBL18729868	435.451	UOIRKRQJXJETJS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137709
n12nc(nc1sc(=Cc1ccc(cc1OC(=O)C)OC(=O)C)c2=O)Cc1ccccc1	MCULE-5937848005	435.452	KLLLZLCYRSKJCG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137710
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(NC(=O)c2occc2)cccc1)C#N	PC-id_16533715	435.452	WHVHAPVQECGKAL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-137711
c1(NC(=O)COc2nonc2CC(=O)NCCOCCO)sc2CCCc2c1C#N	EMOLS-id_333687121,MCULE-8602792377	435.454	SUQWJYGLPTZMRI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137712
c1(NC(=O)COc2nonc2CC(=O)N(CCO)CCO)sc2CCCc2c1C#N	EMOLS-id_333692454,MCULE-6933599383	435.454	OQGZAGKNMXWINF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137713
Cc1ccc(NC(=O)CCc2nnc3s/c(=Cc4cccc([N+](=O)[O-])c4)/c(=O)n23)cc1	NSC635553,ZINC22_5722554	435.456	IPBJDLCUXJYWLD-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-137714
Cc1ccc(NC(=O)CCc2nnc3s/c(=C/c4cccc([N+](=O)[O-])c4)/c(=O)n23)cc1	PC-id_92340156,ZINC22_8653181	435.456	IPBJDLCUXJYWLD-SFQUDFHCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137715
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1n(nnn1)c1ccccc1	PC-id_18199259	435.456	ZQMABJGNOPMHNP-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-137716
N#Cc1c(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc2c1CCC2	CoCoCo_3590100,ZINC22_96791824,PC-id_16316210,EMOLS-id_11746441,MCULE-3528797104,CoCoCo_3590099	435.466	ZZIKPYNMNQGNTP-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-137717
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccccc2F)sc2c(CCC2)c1C#N	EMOLS-id_323202339,MCULE-3762040858	435.471	QLTZJZLFAGMIMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137718
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C#N	EMOLS-id_323209004,MCULE-4617416311	435.471	JLPUKQSSCOWDTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137719
c1(NC(=O)COc2ccc(cc2)NC(=O)c2ccccc2F)sc2c(CCC2)c1C#N	MCULE-3532684930,EMOLS-id_323187927	435.471	LIBBIJBWKKVYDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137720
c1(NC(=O)COc2ccc(cc2)NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-6315736826,EMOLS-id_323197144	435.471	GCMNIEVQDCESCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137721
c1(NC(=O)COc2ccc(cc2)NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C#N	EMOLS-id_323194583,MCULE-9804065452	435.471	GWYMNANJHJRHNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137722
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C#N	EMOLS-id_323203368,MCULE-1275489054	435.471	USSKRSNQKOQKOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137723
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1	BindingDB-id_546115,PC-id_59333959,SCHEMBL3326160	435.471	SILFVAXQJBJJLG-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-137724
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1(F)CCN(CC1)C)F	SCHEMBL19195077	435.471	KOWZTGJUPKWXRP-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-137725
n12nc(nc1sc(=Cc1cc(C)c(c(C)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)F	MCULE-6274016046	435.471	LSWMRHOWBDGSKC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137726
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC=C)c2=O)C=Cc1ccc(cc1)F	MCULE-4804454959	435.471	GHPBCBLHSMBTJM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137727
s1c2CCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)Nc1ccc(F)cc1)C#N	PC-id_1662628	435.471	CGCSWBPJUFBOAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137728
COc1ccc(S(=O)(=O)N)cc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_4848021,EMOLS-id_11658205,ZINC22_13134340,CoCoCo_2897131,MCULE-7225311799	435.474	FRZLAIJBICOVDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137729
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])ccc(SC)c1)C(=O)N	PC-id_27004685	435.474	BGGWCINYTUOJIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137730
s1c2CC[C@H](NC(=O)c3ncnc(c3)C(=O)NCc3cc(c(F)cc3)C)c2cc1C#N	PC-id_58686170	435.474	YNVHVIICDFMOIM-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137731
s1c2CC[C@@H](NC(=O)c3ncnc(c3)C(=O)NCc3cc(c(F)cc3)C)c2cc1C#N	PC-id_58686952	435.474	YNVHVIICDFMOIM-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137732
s1c2CCC(NC(=O)c3ncnc(c3)C(=O)NCc3cc(c(F)cc3)C)c2cc1C#N	PC-id_58686255	435.474	YNVHVIICDFMOIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137733
s1c2[C@@H](NC(=O)c3ncnc(c3)C(=O)NCc3cc(c(F)cc3)C)CCc2cc1C#N	PC-id_58686252	435.474	LUKRIPFDBKBASE-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137734
s1c2[C@H](NC(=O)c3ncnc(c3)C(=O)NCc3cc(c(F)cc3)C)CCc2cc1C#N	PC-id_58686553	435.474	LUKRIPFDBKBASE-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137735
s1c2C(NC(=O)c3ncnc(c3)C(=O)NCc3cc(c(F)cc3)C)CCc2cc1C#N	PC-id_58686701	435.474	LUKRIPFDBKBASE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137736
c1(C(=O)NCc2cccnc2)cnn2C[C@@H](NC(=O)Cc3cc(OC)cc(OC)c3)Cc12	MCULE-3104678099,EMOLS-id_317422702	435.476	HBEAQEXAWFXEHY-KRWDZBQOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-137737
COc1cccc(c1)NC(=O)COc1ccc(cc1)C(=O)NC(c1nnc2n1CCC2)C	MCULE-3957893596,PC-id_75418562,EMOLS-id_48225747	435.476	VOLULXFIEUDPDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137738
COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3nnc4n3CCC4)cc2)c1	ZINC22_58828811,PC-id_94830914	435.476	VOLULXFIEUDPDZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137739
COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3nnc4n3CCC4)cc2)c1	ZINC22_95390010,PC-id_97209366	435.476	VOLULXFIEUDPDZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137740
N#Cc1c(NC(=O)C[NH+]2CCN(CC2)c2cccc(c2)C(F)(F)F)sc2c1CCC2	GD-id_ZINC03396147,PC-id_2514626	435.486	FCBGZKFTXPMXJZ-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-137741
s1c2CCCc2c(c1NC(=O)CCN(Cc1cc(OC)c(OC(F)F)cc1)C)C#N	PC-id_36013886	435.487	JEECZEPKINMSKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137742
s1c2CCCc2c(c1NC(=O)CCN(Cc1cc(OC(F)F)c(OC)cc1)C)C#N	PC-id_33716636	435.487	UFAFBWPEVNLWFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137743
CCNC(=NCc1nnc2n1CCC2)NC1CCN(C1)Cc1ccc(cc1)C(F)(F)F	PC-id_111922909	435.489	CDWXEUNSCBKZJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137744
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)OC	SPECS-id_AT-225/NB60171,PC-id_2789260,MCULE-3725670376,TIMTEC285184,EMOLS-id_604047,STOCK2S-56457,SPECS-id_AF-399/13428132	435.492	LHSCTCYLGIBHFZ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137745
CCOC(=O)c1c(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)sc2CCCc12	EMOLS-id_327982138,MCULE-4025646268	435.492	CKSQIGXTGXFVFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137746
COC(=O)c1c(NC(=O)c2ccc(c3ccccc3)cc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_724801,ZINC22_622584,PC-id_978696	435.492	LHSCTCYLGIBHFZ-QGZVFWFLSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137747
COC(=O)c1c(NC(=O)c2ccc(c3ccccc3)cc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_622587,PC-id_978699,CoCoCo_724800	435.492	LHSCTCYLGIBHFZ-KRWDZBQOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137748
O=C(OC(C)(C)C)OCOC(=O)C1=C(SC2Cn3c(C2)ncc3)C(C2N1C(=O)C2)C	PC-id_144551910	435.494	CNRLDBGSUHMLMH-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-137749
c12c(CCC1C(=O)Nc1ccc(cc1)C(=O)OC)sc(NC(=O)c1ccc(cc1)C)n2	EMOLS-id_12347219,PC-id_16947579,MCULE-9717795313	435.496	WWAJHNVPGPKJOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137750
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	CoCoCo_5891433,MCULE-2086133250,TIMTEC302547,EMOLS-id_31469672,ZINC22_16731511,PC-id_3598501	435.496	MBHIKBMVENOCLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137751
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329251,MCULE-5035533681	435.496	LLQYXQFGVBSJON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137752
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330025,MCULE-6643637364	435.496	QKHCSMLJQWIQGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137753
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331631045,MCULE-1516828141	435.496	GGXSICNKOADJPE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137754
CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	EMOLS-id_45970502,ZINC22_27022531	435.496	XEFSNXIHVPHRIE-MGFARZDGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137755
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_45965731,ZINC22_16742157	435.496	XMZBENGDFXVDJP-ITZXJQBVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137756
COc1cc(/C=c/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc(OC)c1OC	ZINC22_39835431	435.496	CASFKBRCZGIBSH-OHNABYMDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137757
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc(OC)c1OC	ZINC22_9972191,EMOLS-id_45966277	435.496	CASFKBRCZGIBSH-BZTAXWJHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137758
COC(=O)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)cc1	CoCoCo_5124829,ZINC22_9132247,PC-id_40946123	435.496	WWAJHNVPGPKJOC-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137759
COC(=O)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)cc1	PC-id_40946122,ZINC22_9132246,CoCoCo_5124828	435.496	WWAJHNVPGPKJOC-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137760
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9271270890	435.496	XMZBENGDFXVDJP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137761
n12nc(nc1sc(=Cc1ccccc1OCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9788305997	435.496	XEFSNXIHVPHRIE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137762
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-9815280315	435.496	HDDZVNVCFSNXKO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137763
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)C=Cc1ccc(cc1)C	MCULE-8914831521	435.496	CASFKBRCZGIBSH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137764
s1c2c(CCC2)c(c1NC(=O)COc1c(cccc1)C(=O)Nc1ccccc1)C(=O)N	PC-id_38902602	435.496	OCZUTEOWFLJLKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137765
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(nc(c2ccccc2)cc1)C)C(=O)N	PC-id_46648766	435.496	JKLYBVMIQKKYTE-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-137766
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_16947100	435.496	UZCHACBLOPHPBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137767
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_16947893	435.496	NHFQZEBXEZKFQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137768
COC1=NN(NC(=C1)C)NC(=O)NS(=O)(=O)c1csc2c1S(=O)(=O)C(C2)C	SCHEMBL10564206,PC-id_70393562	435.499	BEJKYBNKEQQEDY-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-137769
s1c2c(CCC2)c(c1Nc1nc(NCCCOC(C)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127530	435.501	PUUCCCBLZKELET-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137770
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_45970860,ZINC22_27023173	435.514	CYMYONSKQMZCJR-PXSLEKJFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137771
n12nc(nc1sc(=Cc1ccc(cc1)OCCCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-8941318853	435.514	CYMYONSKQMZCJR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137772
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(SC)cc1)C(=O)OC	PC-id_16525056	435.514	GVTIXGGDCHPCOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137773
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(S(=O)CC)cccc1)C(=O)OC	PC-id_18194181	435.514	IFTBAAATNYASBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137774
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1sccc1)C(=O)OCC	PC-id_5227102	435.514	FQUJMZHRFNAIRA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137775
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(C)CCO)sc2CCCc2c1C#N	MCULE-2337245445,EMOLS-id_333773907	435.517	JNTMBUMKACNIPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137776
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)NC1CC1)C(=O)OCC	PC-id_51632800	435.56	SIHPGFSOSOMKFG-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-137874
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1(CC1)N)(C(=O)NO)S(=O)(=O)C	PC-id_137440917,SCHEMBL20678222	435.517	HLFYEUULGSLGSK-GOSISDBHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-137777
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1(CC1)N)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678223,PC-id_137440918	435.517	HLFYEUULGSLGSK-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-137778
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)N1CCCCC1	SCHEMBL3458185,PC-id_68649686	435.517	XYQLIGJIVYUIAL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137779
COc1cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc(OC)c1OC	MCULE-5069504368,PC-id_2533931,ZINC22_3414882,EMOLS-id_48944472,CoCoCo_3633654	435.517	UBCJAIQYRVJGHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137780
COC(=O)c1sccc1S(=O)(=O)N(Cc1ccco1)Cc1nn(C)c2CCCc12	EMOLS-id_50145290,MCULE-5944493868,PC-id_86266559	435.517	AZLWTCMHSFKVGQ-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-137781
NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2	ZINC22_2655879,PC-id_2119557,CoCoCo_3218607,EMOLS-id_3228320,MCULE-9131200734	435.517	WZVFQEONBRRPKD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137782
NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2	CoCoCo_3218628,MCULE-5702648904,ZINC22_9086596,EMOLS-id_2898171,PC-id_4829230	435.517	YUDHBOLSHLMADR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137783
s1c2CCCc2cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(cc1)C(=O)C	PC-id_27684306	435.517	WSLXYYRJGZVBBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137784
s1c2CCCc2cc1C(=O)NNC(=O)CCNS(=O)(=O)c1cc(ccc1)C(=O)C	PC-id_41714820	435.517	RMRGNXNUGUQAJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137785
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c(sc1NC(=O)C)C)C)C(=O)N	PC-id_3924694	435.517	QDWVBQIFOWMMOA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137786
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)NCC=C)C(=O)OCC	PC-id_16519282	435.517	CUJCQCPTUUTSPZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137787
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1nc(cc(n1)C)C)C(=O)OC	PC-id_45604014	435.517	YPOZLNVXBLKHAS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137788
S(=O)(=O)(NC1CC1)c1c(OC)ccc(c1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_27684918	435.517	ILKXZYOPHOUTPL-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-137789
c1(C(=O)N2CCC(CC2)Oc2cccc(CN(C)Cc3ccon3)c2)c2CCCc2[nH]n1	MCULE-9186015055,PC-id_42471902,EMOLS-id_337711351,ZINC22_12218213	435.519	UQIUWQCXQCRJKZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137790
c1(C(=O)NC2Cc3n(ncc3C(=O)NCc3ccccc3)C2)cc(n(CCOC)c1C)C	MCULE-7106760803	435.519	FJBXKERNZRFELI-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-137791
c1(C(=O)N[C@H]2Cc3n(ncc3C(=O)NCc3ccccc3)C2)cc(n(CCOC)c1C)C	EMOLS-id_316320570,MCULE-3592451825	435.519	FJBXKERNZRFELI-IBGZPJMESA-N	00000010110000110001000010000000000000000000000000000000	25-01-137792
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(Sc2ccccc2)nccc1)C#N	PC-id_16515014	435.519	MKBOWUJMHLZZGH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137793
CC(CC[C@H](n1c(cc2c1C(CC2)CC(=O)O)C(C)C)c1ccc(cc1)C(F)(F)F)C	SCHEMBL13316507,PC-id_58986241	435.522	KHOOAOSCTKNQLA-QWAKEFERSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137794
FC(F)(F)c1ccc(C(n2c3C(CCc3cc2C(C)C)CC(=O)O)CCC(C)C)cc1	PC-id_72481772	435.522	KHOOAOSCTKNQLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137795
CC[NH+](CCNc1nc(N)c(c(n1)Nc1sc2c(c1C(=O)N)CCC2)[N+](=O)[O-])CC	PC-id_52127508,GD-id_ZINC41301868	435.524	KIIUQQJKRFHLIE-UHFFFAOYSA-O	00000010100000100001000010000000000000000000000000000000	25-01-137796
c1(NC(=O)C(C)Oc2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-8498253267,PC-id_4067485	435.535	YKPJMJPJEDKAGK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137797
c1(NC(=O)COc2ccc(cc2)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-9344267530,PC-id_19172236	435.535	YWUZFWHUZDXSEH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137798
CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)Oc1ccc(cc1)c1ccccc1	GD-id_ZINC14767577	435.535	PMWDTUYMPXRUBG-FQEVSTJZSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137799
CCOC(=O)c1c(NC(=O)[C@H](Oc2ccc(cc2)c2ccccc2)C)sc2c1CCC2	GD-id_ZINC01956619	435.535	YKPJMJPJEDKAGK-MRXNPFEDSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137800
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCc2ccccc2)cc1)C(=O)OCC	PC-id_4956341	435.535	OIVLLWJKVKWOIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137801
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCc2ccccc2)ccc1)C(=O)OCC	PC-id_17134308	435.535	NEYUNTQEPPVGHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137802
s1c2c(CCC2)c(c1NC(=O)c1c(OCCc2ccccc2)cccc1)C(=O)OCC	PC-id_19628099	435.535	TXUCTECTFPPHFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137803
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc(cc1)c1ccccc1)CC)C(=O)OC	PC-id_17073331	435.535	PMWDTUYMPXRUBG-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137804
CCCC1(CCC)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)C1=O	PC-id_39881065,CoCoCo_2789255,EMOLS-id_24978589,MCULE-8814590856,ZINC22_32636534	435.537	DBDLMTKOYYCHLI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137805
CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	EMOLS-id_33333975,MCULE-9815792702,ZINC22_21511078,PC-id_29554156	435.537	ALYZKYVSPCTMLO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137806
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C(C)C)C(=O)NC(=O)N	PC-id_45663358	435.537	BEZQYWQSTODJQE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137807
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C(=O)NC(=O)NCC	PC-id_45663355	435.537	RRXMVOYLQBGTDM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137808
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NC(C)C	PC-id_45663323	435.537	WYNIQWFTHDHFGM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137809
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NCCC	PC-id_45663357	435.537	PKXYILRVUIWXCF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137810
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C)C(=O)NC(=O)NCC	PC-id_51481562	435.537	RRXMVOYLQBGTDM-GFCCVEGCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137811
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C)C(=O)NC(=O)NCC	PC-id_51481563	435.537	RRXMVOYLQBGTDM-LBPRGKRZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137812
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)C1OCCC1)C(=O)OCC	PC-id_22197234	435.537	MXALXWHBYRFPFR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137813
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCC(C)C)C)C(=O)OCC	PC-id_4804566	435.537	DXBSQUWKJFFMAV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137814
c12c(CCC1C(=O)NCCc1ccccc1OC)sc(NC(=O)c1ccc(cc1)C)n2	EMOLS-id_12347151,MCULE-5114217918,PC-id_16947545	435.539	GGRGHMUWAFIMJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137815
c12c(CCC1C(=O)NCCc1ccc(cc1)OC)sc(NC(=O)c1ccc(cc1)C)n2	MCULE-1480263828,PC-id_16947547,EMOLS-id_12347155	435.539	KMBZCSUFWGTVRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137816
c12c(CCC1C(=O)NCCc1cccc(OC)c1)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947621,MCULE-5712832508,EMOLS-id_12347303	435.539	DIGRVQCOXQCGAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137817
c1(c2CCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1ccc(cc1)OC	ZINC22_57311955,CoCoCo_6728244,EMOLS-id_2783530,TIMTEC359833,PC-id_1050769,MCULE-4184297990	435.539	ONAOOQXAEILNOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137818
c1(NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5823561394,EMOLS-id_334334127	435.539	JLBFTLPPXBRNLE-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-137819
c1(NC(=O)c2ccccc2OCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-3982680284,PC-id_18884030	435.539	IKOWIYWLHJCZMG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137820
c1(NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-6355302699,PC-id_18883995	435.539	MFUJVWRHMKACLF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137821
c1(NC(=O)c2ccc(cc2)OCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-8757728067,PC-id_18883990	435.539	USIMPBUTFWCYDR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137822
c1(NC(=O)c2cccc(OCCC)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-4782391430,PC-id_18884017	435.539	ZOGNMWFVKNDBNG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137823
c1(NC(=O)COc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-2147644194,PC-id_18884023	435.539	KFPQKAYQVYPGIF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137824
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-3103155849,PC-id_18883988	435.539	AXJYFRULHZIIQB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137825
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884013,MCULE-2891144524	435.539	BGXOJBNZGKSPJX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137826
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884014,MCULE-7024578867	435.539	VCOUAJRGDTYRNC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137827
c1(NC(=O)COc2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-7935480930,PC-id_18884012	435.539	VGUSTLKPVWBLJM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137828
CCC(CC)c1nc2s/c(=Cc3ccc(OCc4ccccc4)c(OC)c3)/c(=O)n2n1	EMOLS-id_324856544	435.539	SLMMKRIDDNUUNX-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-137829
CCCOc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324839675	435.539	OHDWKVSLAZHJJT-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137830
CCCOc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_324909569	435.539	SICWFDPMKIPVFT-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137831
CCOc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1OCC	EMOLS-id_324908545	435.539	ATGHMLLYBBUFML-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137832
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1	EMOLS-id_324880385	435.539	ODJHWGVPVHXIJC-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137833
COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(C)cc3)nc12	CoCoCo_5124820,ZINC22_9132175,PC-id_40946055	435.539	GGRGHMUWAFIMJK-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137834
COc1ccccc1CCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(C)cc3)nc12	CoCoCo_5124821,ZINC22_9132173,PC-id_40946054	435.539	GGRGHMUWAFIMJK-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137835
COc1ccc(Cc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1OC	EMOLS-id_324923399	435.539	GAPLLLNLGRJCDH-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137836
COc1ccc(CCc2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)cc1OC	EMOLS-id_324892680	435.539	XVCZPTUNFRTYAW-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-137837
COc1cccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)c1	ZINC22_9132329,CoCoCo_5124841,PC-id_40946202	435.539	DIGRVQCOXQCGAN-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-137838
COc1cccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)c1	ZINC22_9132330,PC-id_40946203,CoCoCo_5124840	435.539	DIGRVQCOXQCGAN-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137839
COc1ccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)cc1	CoCoCo_5124822,PC-id_40946059,ZINC22_9132179	435.539	KMBZCSUFWGTVRK-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137840
COc1ccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)cc1	CoCoCo_5124823,ZINC22_9132178,PC-id_40946058	435.539	KMBZCSUFWGTVRK-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-137841
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(cc4)C(C)C)/c(=O)n3n2)cc1	EMOLS-id_324889103	435.539	ITDCQNUSCSONBI-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137842
n12c(=O)c(=Cc3ccc(c(OC)c3)OCc3ccccc3)sc1nc(C(CC)CC)n2	MCULE-5520489786	435.539	SLMMKRIDDNUUNX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137843
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-7815099032	435.539	GAPLLLNLGRJCDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137844
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1ccc(cc1)OCC	MCULE-3616428745	435.539	ODJHWGVPVHXIJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137845
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-7141070518	435.539	XVCZPTUNFRTYAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137846
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-5534475446	435.539	ITDCQNUSCSONBI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137847
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)CCc1ccc(cc1)C	MCULE-8520274467	435.539	SICWFDPMKIPVFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137848
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)CCc1ccccc1	MCULE-8387441584	435.539	OHDWKVSLAZHJJT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137849
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)CCc1ccc(cc1)C	MCULE-7964100857	435.539	ATGHMLLYBBUFML-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137850
s1c2c(CCC2)c(c1NC(=O)CNC(c1ccccc1)c1ncccc1)C(=O)OCC	PC-id_60470475	435.539	GJZYDYIXGRVEQO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-137851
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(cc(cc1C)C)C	PC-id_16947922	435.539	AWUOWNJGCMNPDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137852
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(C(C)C)cc1	PC-id_16947876	435.539	SNPGCOPADQIBCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137853
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCCc1ccccc1	PC-id_16947864	435.539	AOSGAULBKGLDLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137854
CCOC(=O)c1c(NC(=O)CSc2nnc(c3cccs3)o2)sc2c1CCC2	EMOLS-id_43785449,CoCoCo_3119975,MCULE-8726777632,PC-id_2486720,ZINC22_3368907	435.54	JLKXQZUBUPECML-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-137855
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)N1CCOCC1)C)C(=O)N	PC-id_55511392	435.54	STEXPJDUOYHKSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137856
SCc1ncccc1C(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_10203340,SCHEMBL2921779	435.542	IZGFOEXXKLMFIB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-137857
COC(=O)c1c(NC(=O)CSc2nnc(n2N)c2cccs2)sc2c1CCC2	GD-id_ZINC11591859,PC-id_45641866	435.544	WACJHJMCFTVWBS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-137858
NC(=O)c1c(NC(=O)CSc2nnc(NCc3ccco3)s2)sc2c1CCC2	MCULE-1679505859,EMOLS-id_11767115,PC-id_16330198,ZINC22_9778631,CoCoCo_4183423	435.544	SSEIVIVNMJMSID-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-137859
s1c2CCCc2cc1C(=O)OCC(=O)Nc1scc(CC(C)C)c1C(=O)OCC	PC-id_3465329	435.557	NYAYHYGKUOVYCE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137860
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)OCC	PC-id_16837951	435.557	PARUPYSRBAIDGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137861
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_41273393	435.557	GQLXHLVZQXSLOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137862
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)Cc1ccccc1)C(=O)OCC	PC-id_41611721	435.557	WSPNMNITCQDXLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137863
COC(=O)c1c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)sc2c1CCC2	PC-id_2469873,GD-id_ZINC03352764	435.558	KYGOSDMHTDJFRH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-137864
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)sc2c(CCC2)c1C(=O)NC	CoCoCo_2590243,ZINC22_15822816,PC-id_22582886,MCULE-7491034251,EMOLS-id_16349081	435.56	CWZBGCPLMWASRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137865
CCc1c(nc([nH]c1=O)SC(C)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OCC)C	PC-id_136630504	435.56	OMNJBEZOTKVDIZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137866
CCCc1cc(=O)[nH]c(n1)SC(C)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OCC	PC-id_136630432	435.56	DJYTXSARMLYVFI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137867
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1C	NSC744377,MCULE-3928287255,EMOLS-id_45711599,PC-id_2120438,ZINC22_2656708	435.56	CIRKDIKXDIUKTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137868
CN(C)c1ccc(cc1)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-4348508128,EMOLS-id_328224112	435.56	BERGTKSVHGBLDG-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-137869
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1CCCCCC1	CoCoCo_4164142,MCULE-6594299055,EMOLS-id_17194228,PC-id_24242369,ZINC22_15636566	435.56	OJDVMEZMVNSLEV-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-137870
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc2c(s1)CCC2	ZINC22_35306554,PC-id_17430745,MCULE-2996645504,CoCoCo_4164670,EMOLS-id_12001517	435.56	QNTXVMBUPUVNJC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137871
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)C(C)C	PC-id_24540830	435.56	WHEFTRXCENCWPG-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137872
s1c2CCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1ccc(cc1)C)C(C)C	PC-id_74293261	435.56	WHEFTRXCENCWPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137873
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](C(C(=O)NC2CC2)C)CC1)C(=O)OC	PC-id_74605279	435.56	GCFGWHDYHVHHOG-UHFFFAOYSA-O	00100010100010000001000010000000000000000000000000000000	25-01-137875
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+]([C@H](C(=O)NC2CC2)C)CC1)C(=O)OC	PC-id_30096682	435.56	GCFGWHDYHVHHOG-ZDUSSCGKSA-O	00100010100010000001000010000000000000000000000000000000	25-01-137876
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+]([C@@H](C(=O)NC2CC2)C)CC1)C(=O)OC	PC-id_30096686	435.56	GCFGWHDYHVHHOG-CYBMUJFWSA-O	00100010100010000001000010000000000000000000000000000000	25-01-137877
S(=O)(=O)(N1C(CCCC1)C)c1cc(ccc1OC)C(=O)Nc1sc2CCCc2n1	PC-id_43021940	435.56	SJLIGRKWMRDKKQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137878
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCc2n1)c1ccc(OCC)cc1	PC-id_33039442	435.56	GDSPXIOVZKLDBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137879
S(=O)(=O)(N1[C@H](CCCC1)C)c1cc(ccc1OC)C(=O)Nc1sc2CCCc2n1	PC-id_26723239	435.56	SJLIGRKWMRDKKQ-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137880
S(=O)(=O)(N1[C@@H](CCCC1)C)c1cc(ccc1OC)C(=O)Nc1sc2CCCc2n1	PC-id_26723240	435.56	SJLIGRKWMRDKKQ-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137881
c1(C(=O)N2CCC(CC2)CCC(=O)N2CCN(CC2)c2ccccc2)c2CCCc2[nH]n1	ZINC22_11819185,CoCoCo_1550009,PC-id_42196482,CoCoCo_1550010,EMOLS-id_20686681,MCULE-7721166314	435.562	ZXSDFJDELMLQFA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137882
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)n[nH]c2NC(=O)c1ccccc1C1CCC1	SCHEMBL5097973,PC-id_69310220	435.562	RDXSEEHAHIFFGK-UHFFFAOYSA-N	00001010100010110001100010000000000000000000000000000000	25-01-137883
NC(=O)c1c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCC2	PC-id_4504209,ZINC22_16477672	435.562	JFBHKABWYLBOHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137884
COC(=O)c1c(NC(=O)CSc2nnc(C3CCCCC3)n2N)sc2c1CCC2	CoCoCo_2798495,MCULE-3597408040,ZINC22_13137403,PC-id_4830421,EMOLS-id_3425844	435.563	NJYPCXQZKUZLCM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-137885
CCNC(=NCc1nnc2n1CCC2)NCC1C(C)OC(N1C(=O)OC(C)(C)C)(C)C	PC-id_109811241	435.564	CRJLCYCBPLZKGF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137886
CCNC(=NCc1nnc2n1CCC2)N(Cc1cc(n(c1C)c1ccc(cc1)OC)C)C	PC-id_109391056	435.565	OICBQMSISFBQKG-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-137887
N#Cc1c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)sc2c1CCC2	ZINC22_3332688,CoCoCo_3108004,EMOLS-id_3352777,PC-id_2448814,MCULE-5921746525	435.565	QBBKZKPXNXCTHO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137888
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1)C(=O)OCC	PC-id_4458026	435.577	QICFANXBBVLPMZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137889
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)CNC(=O)C(C)C)C(=O)OCC	PC-id_56378359	435.58	IVJFGENSLAJIFJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-137890
c1(c2CCCc2sc1NCc1ccc(cc1)N(C)C)C(=O)Nc1ccccc1OCC	PC-id_3148511,BAS-03715671,MCULE-9193320733,EMOLS-id_1439569,ZINC22_3066002,CoCoCo_306044	435.582	LZNFAVDDQDCATD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137891
c1(c2CCCc2sc1NCc1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1)OCC	PC-id_4327043,CoCoCo_2720372,EMOLS-id_9919706,MCULE-8509867709	435.582	WXYCEJMXOMWNKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137892
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C1CCCC1	PC-id_92110066	435.582	JDZUDIUGXDVOOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137893
c1(NC(=S)NNC(=O)CSCc2ccccc2)sc2c(CCC2)c1C(=O)OC	TIMTEC556129,PC-id_4468236,MCULE-8146023690,CoCoCo_6801892,EMOLS-id_4121536	435.583	XSEPCHBDHMJYPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137894
CCCCNC(=O)CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_16756180,MCULE-9135669520,PC-id_45355137	435.583	VCNSIWKFQZLRPV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137895
CCCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	CoCoCo_4230370,CoCoCo_4230368,ZINC22_22931214,PC-id_30737678	435.583	VCNSIWKFQZLRPV-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137896
CCCCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	ZINC22_22931211,PC-id_30737675,CoCoCo_4230371,CoCoCo_4230369	435.583	VCNSIWKFQZLRPV-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-137897
Cc1sc(c2c1CN(S2(=O)=O)CCCCCCOOC/C=C/c1ccccc1)C	SCHEMBL18325078	435.6	NVELPUBTRFORDR-JLHYYAGUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137898
CCCN(CCC)Cc1cccc(OCCCNC2=NS(=O)(=O)c3cscc23)c1	PC-id_135665157,CHEMBL37955,SCHEMBL10835590	435.603	QZAYREAMRDTCBS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-137899
CC(C)c1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1	PC-id_41059759,ZINC22_57270722,CoCoCo_4134289	435.605	HNBJZBPADCUIAX-QHCPKHFHSA-N	00000010100100110000000010000000000000000000000000000000	25-01-137900
CC(C)c1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1	ZINC22_57270723,CoCoCo_4134290,PC-id_41059763	435.605	HNBJZBPADCUIAX-HSZRJFAPSA-N	00000010100100110000000010000000000000000000000000000000	25-01-137901
N#Cc1c(NC(=O)CNC(c2cccs2)c2ccc(cc2)C(C)C)sc2c1CCC2	MCULE-8540486952,PC-id_16311114,EMOLS-id_11738633	435.605	HNBJZBPADCUIAX-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-137902
CC1(c2c(CN1C(=O)Nc1cccs1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348614,PC-id_135195482	435.607	KNWLSTPBPQLXDG-UHFFFAOYSA-N	00001010100100000001000010000000000000000000000000000000	25-01-137903
CC1(c2c(CN1C(=O)Nc1cscc1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348590,PC-id_135195458	435.607	PNDBWGKCYMZIKC-UHFFFAOYSA-N	00001010100100000001000010000000000000000000000000000000	25-01-137904
O=C(N(CC1CC[NH+](CC1)CCc1c(cccc1)C)C1CCCC1)c1n[nH]c2c1CCC2	PC-id_42288913	435.625	WKDHSEJGSBXSHQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-137905
s1c2[n+](c(CC(=O)N3CCC(CC3)CCC(=O)NCC3[NH+](CCC3)CC)c1)CCN2	PC-id_75836641	435.626	QXJGPWAVVGIOCM-UHFFFAOYSA-P	00000010100010000001000010000000000000000000000000000000	25-01-137906
s1c2[n+](c(CC(=O)N3CCC(CC3)CCC(=O)NC[C@@H]3[NH+](CCC3)CC)c1)CCN2	PC-id_52379415	435.626	QXJGPWAVVGIOCM-GOSISDBHSA-P	00000010100010000001000010000000000000000000000000000000	25-01-137907
s1c2[n+](c(CC(=O)N3CCC(CC3)CCC(=O)NC[C@H]3[NH+](CCC3)CC)c1)CCN2	PC-id_52379417	435.626	QXJGPWAVVGIOCM-SFHVURJKSA-P	00000010100010000001000010000000000000000000000000000000	25-01-137908
CC(C(CNC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)O)C	PC-id_140817026	435.636	NOPGWANOAVPZNO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137909
OCC(C(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817148	435.636	CYDVJYIBKRRSEL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137910
OC[C@H](C(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140301089	435.636	CYDVJYIBKRRSEL-OAHLLOKOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-137911
Brc1ccc(c(c1)Cl)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_24232176,EMOLS-id_43896647,MCULE-6822275857,CoCoCo_3532709	435.744	RECLYNOHSJRKAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137912
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc(Cl)c(Cl)c1	PC-id_20415745	435.776	TVISLRHZFTVTKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137913
Cc1cc2c(s1)C(C(=C2C)C)[Si](NC(C)(C)C)(CCCCCCOC(C)(C)C)C	PC-id_142732333	435.781	ATBIMENPVNOYRQ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-137914
Cc1sc2c(c1)C(C(=C2C)C)[Si](NC(C)(C)C)(CCCCCCOC(C)(C)C)C	PC-id_142732331	435.781	PLGLQBFSYNWXRX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-137915
Clc1ccc(cc1)CN1CCN(CC1)C(=O)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5536898,PC-id_69479708	435.861	UPKUORMPWNGVHH-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137916
Clc1ccc(cc1)CN1CCN(CC1)C(=O)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5536901,PC-id_69479709	435.861	UPKUORMPWNGVHH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137917
Clc1ccc(cc1)OCC(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69479809,SCHEMBL5537376	435.861	RQMVYRCDICKGQJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-137918
Clc1ccc(cc1)OCC(=O)N1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5537367,PC-id_69479806	435.861	RQMVYRCDICKGQJ-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-137919
Clc1c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ncc(c1)C(F)(F)F	PC-id_45646464	435.872	YZHFJKJECLZRBR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-137920
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)(C)CO)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134599125,SCHEMBL20253034	435.876	DAZPOPIPMYWEFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137921
Clc1ccc(c2c(c(sc2)NC(=O)C2Sc3c(scc3)C2=O)C(=O)O)cc1	PC-id_53380847	435.924	FCDVNHKDYOHVTH-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-137922
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(cc1)C(=O)NCC	PC-id_52704515	435.924	KPAZBJXWSFNJDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137923
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1C(=O)NC	PC-id_52704965	435.924	CZYJDYXVNHLCMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137924
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(NC(=O)C)cc1	PC-id_56201394	435.924	RHBUDUNLHAJJAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137925
COc1ccc(cc1S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cl	PC-id_92109658	435.924	FOSFEZJXZWAGML-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-137926
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccccc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_320630993,MCULE-8775069793	435.948	JMTYALYTUHDNFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137927
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-8904222963,EMOLS-id_320640448	435.948	OZHBVRZZRVWGNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137928
c1(NC(=O)CS(=O)CC(=O)Nc2c(C)ccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-3653634917,EMOLS-id_320678736	435.948	NEIIMCJRMNJXIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137929
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(c(Cl)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_320624064,MCULE-1975887269	435.948	QOLUMTAJRDSFQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137930
c1(NC(=O)CS(=O)CC(=O)Nc2cccc(Cl)c2C)sc2c(CCC2)c1C#N	EMOLS-id_320686404,MCULE-1771673597	435.948	NDOQYKNOYICWEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137931
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(Cl)cc2C)sc2c(CCC2)c1C#N	EMOLS-id_320724286,MCULE-8447852304	435.948	HOCRJDACKSLBKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137932
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_16924056	435.948	VNQIATFBBZVSKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137933
N#Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)sc2c1CCC2	PC-id_2462319,EMOLS-id_3170306,CoCoCo_3268200,MCULE-2533570947,ZINC22_3345668	435.948	GOTVLQYNTRDDST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137934
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_1677595,EMOLS-id_327851227,MCULE-2891295752	435.964	WZTFVADNAHYDLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137935
c1(c2CCCc2sc1NC(=O)CNCC(C)C)C(=O)Nc1c(OC)ccc(Cl)c1	EMOLS-id_2785178,CoCoCo_6723790,MCULE-2041242955,ZINC22_15946667,TIMTEC374356,PC-id_3781162	435.967	PDHUTNUESJOIBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137936
c1(NC(=O)C2(CCCC2)c2ccc(cc2)Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_4414353,EMOLS-id_5438367,MCULE-6151063437,CoCoCo_4982183,ZINC22_9391518	435.967	FFPMELDZYCGDGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137937
Clc1ccc(N2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_19654486	435.991	NWVMMTVCBGGVOX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137938
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_19654616	435.991	RRHJXRPEOPUALK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137939
CC(COc1ccc(cc1Cl)CNC(=O)c1sc(c2c1CC([C@H]2C)C(C)C)C)O	PC-id_143171811	436.007	IHPLSHKHGZYCPQ-XOYHFGRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137940
OCCCOc1ccc(cc1Cl)CNC(=O)c1sc(c2c1C[C@H](C2C(C)C)C)C	PC-id_143171969	436.007	USRSUFSKDQLDNE-QMRFKDRMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137941
C1C=CC2=C(C(=C(N21)C(=O)NC3=CC(=C(C=C3)F)C#N)Cl)S(=O)(=O)NC4COC4	PC-id_155278830	436.041	IIOLQBICZMGLCK-UHFFFAOYSA-N	00001011100000110000000010000000000000000000000000000000	25-01-137942
C[C@@H](C(F)(F)F)NC(=O)C(=O)C1=CC(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154663305	436.116	ZIAUMEKLLGTVEF-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-137943
C[C@H](C(F)(F)F)NC(=O)C(=O)C1=CC(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154663336	436.116	ZIAUMEKLLGTVEF-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137944
C1c2c(CN1C(=O)O)[nH]nc2NC(=O)c1c(nc(c(n1)Br)C(F)(F)F)N	SCHEMBL14784049,PC-id_89443774	436.144	KPSBSFUEMSGLQB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137945
C1CC(C1)CN2C=C3CN(CC3=N2)C(=O)NC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-]	PC-id_160681028	436.166	SPHAJAIIEMHEQI-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-137946
CCCCCCC(C)(C)C1=C2C(=C(S1)C(C)(C)C3=C4C(=C(S3)C)OCO4)OCO2	PC-id_147352407	436.174	DFQRUJFQVFEUOI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137947
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)CC4=CC(=CC=C4)F	PC-id_161932603	436.191	KPQMYBKOUBMKIO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137948
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4F	PC-id_161945835	436.191	GUYJTYHIGAIRDX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137949
C[C@@H](C1=CC=C(C=C1)C(=O)C)NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC(C)(C)C	PC-id_148489890	436.209	MINMJMAIGVKQSE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137950
CCCNC(c1sc(c(c1)Br)Br)c1sc2c(n1)CCC2	PC-id_102842981	436.228	XFAWJNLRURTJSO-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-137951
CC(NC(c1sc(c(c1)Br)Br)c1sc2c(n1)CCC2)C	PC-id_102843029	436.228	IZDJGSMYYYPPCZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-137952
CCC1(NC(=C(C=N1)F)NC2=NNC3=C2CN(C3(C)C)C(=O)C4(CCN(CC4)C)F)N	PC-id_153907760	436.251	RBUWSEIDDDRDQI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-137953
Brc1ccc(cc1)CN1CCN(C1=O)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481416,SCHEMBL5542770	436.26	BFAZTMHDGSNKSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-137954
CCOC(=O)C1=NN(C2=C1CCC2)CC(=O)CCC3CCC(CC3)C4=CC=CC(=C4C)C	PC-id_153575460	436.273	QUYYYDBYIJKZBG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137955
CC(C)(C)OC(=O)N(CC1(CC1)CNCC2=CN=C3N2CCC3)[C@H]4CC4C5=CC=CC=C5	PC-id_155266034	436.284	FFXDQSZUVRLMKQ-KEKNWZKVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137956
Cc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)ccc1F	EMOLS-id_324845817	436.287	LGWDWNLNMCBIHT-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137957
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccccc3F)/c(=O)n2n1	EMOLS-id_324913673	436.287	CQIQCNQSTXCZKZ-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137958
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3cccc(F)c3)/c(=O)n2n1	EMOLS-id_324913675	436.287	MTZBHXNMNSBBHC-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137959
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(F)cc3)/c(=O)n2n1	EMOLS-id_324912649	436.287	XSMKUCHWGOJTBB-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137960
n12c(=O)c(=Cc3ccc(cc3)F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5607767193	436.287	XSMKUCHWGOJTBB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137961
n12c(=O)c(=Cc3ccccc3F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-9552880423	436.287	CQIQCNQSTXCZKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137962
n12c(=O)c(=Cc3cccc(F)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-6865549668	436.287	MTZBHXNMNSBBHC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137963
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-7917293164	436.287	LGWDWNLNMCBIHT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137964
CC1C(=O)c2c(N1C)ncn2CC(=O)Nc1nc(cs1)c1cc(c(cc1)Cl)Cl	SCHEMBL2693110,PC-id_87423881	436.315	WFJJRNLOSFAJFX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137965
Brc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OC)cc1	PC-id_19206481	436.32	TWWMVYRVMSBWIS-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137966
c1(NC(=O)C=Cc2cc(Br)ccc2OC)sc2c(CCC2)c1C(=O)OC	MCULE-7997896427,PC-id_73568945	436.32	TWWMVYRVMSBWIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137967
COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)sc2c1CCC2	ZINC22_408627256	436.33	YTPXKMXKDGCUJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137968
Fc1cc(Br)ccc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324903435	436.341	STNQICCMMOALSA-YBEGLDIGSA-N	00000000100010110001000010000000000000000000000000000000	25-01-137969
Fc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1Br	EMOLS-id_324903431	436.341	XDEFIUJJQDYCLO-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-137970
FC(F)(F)Oc1ccc(c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)nc2)cc1	PC-id_50913333,SCHEMBL1227759	436.341	VGWKSCHHKMKBGM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-137971
FC(F)(F)Oc1ccc(c2ncc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_50913334,SCHEMBL1227045	436.341	FRXJIYQUHHMQRA-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-137972
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)CCC1CCCCC1	MCULE-3581095428	436.341	STNQICCMMOALSA-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-137973
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)CCC1CCCCC1	MCULE-4507402750	436.341	XDEFIUJJQDYCLO-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-137974
Brc1cc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)ccc1OC	PC-id_4955486	436.346	KUYWXVWTXNOAJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137975
Brc1cc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c(OC)cc1	PC-id_17094586	436.346	GMEDBZAOAPABHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137976
Cc1ccc(C(=O)c2c(NC(=O)OC(C)(C)C)sc3CCCc23)c(Br)c1	EMOLS-id_331280749	436.363	JSBPETIKHHAQHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137977
CCOC(=O)c1c(NC(=O)C(C)(C)c2cccc(Br)c2)sc2CCCc12	EMOLS-id_328037410,MCULE-4037923469	436.363	MLBDTQFDTLTJPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137978
CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)s2)sc2c1CCC2	ZINC22_320828408	436.364	QEIXJBKRNZTSDB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-137979
Brc1ccc(cc1)CN(C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	EMOLS-id_16759502,MCULE-7603114074,PC-id_24506974	436.366	BZBZCFVHHOGPSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137980
Brc1c(CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1	PC-id_55430670	436.366	LWKOBNUZUYTVAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137981
c1(c2CCCc2sc1NC(=O)CNCCC)C(=O)Nc1ccc(cc1)Br	ZINC22_15946531,EMOLS-id_2784796,CoCoCo_6728294,PC-id_3699905,MCULE-8983298681,TIMTEC281928	436.366	LEBKZQNTROAROC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137982
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccc(Br)cc1	PC-id_25507185,CoCoCo_4228260,ZINC22_12782196,CoCoCo_4228261	436.366	BZBZCFVHHOGPSJ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137983
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccc(Br)cc1	PC-id_25507188,CoCoCo_4228259,ZINC22_12782199,CoCoCo_4228258	436.366	BZBZCFVHHOGPSJ-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-137984
c1(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334328028,MCULE-2558833351	436.371	NDTXKSRLQZFNTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137985
CCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)Cl)Cl	SCHEMBL11277702,PC-id_20528145	436.371	UYACTOGDFDQMMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137986
Brc1ccc(C(=O)c2c3CCCc3sc2NC(=O)C[NH+](CC)CC)cc1	GD-id_ZINC13496061,PC-id_25778013	436.386	SCEDMECKYFAUAP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-137987
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(n2ncnc2)ccc(c1)C(F)(F)F	PC-id_45637928	436.408	CFAQUEXRXBCMJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-137988
COCC(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696243,PC-id_86267512	436.428	URQALHZOXCKDSS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-137989
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)sc2c1CCC2	PC-id_2413823,ZINC22_3298217,CoCoCo_3091169	436.429	QXEZFCCBGSBACP-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137990
O=C(/C=Cc1ccc(cc1)OC(F)F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3091170	436.429	QXEZFCCBGSBACP-TWGQIWQCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137991
O=C(C=Cc1ccc(cc1)OC(F)F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_43778272,PC-id_4268037,MCULE-7192956841	436.429	QXEZFCCBGSBACP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-137992
CCOC(=O)N1Cc2c(C1(C)C)n(nc2Nc1nc(OCC)ncc1F)C(=O)OCC	PC-id_138706009,SCHEMBL21082247	436.437	HWPZEBZZASJAJO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-137993
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cccc(F)c1	BindingDB-id_799375,SCHEMBL19900928,PC-id_134285215	436.439	GBIXIKKBIFQIMA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137994
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)cc1	BindingDB-id_799376,SCHEMBL19900992,PC-id_134285269	436.439	HJIXKOCCFOGCCG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137995
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CCNC(=O)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315188,SCHEMBL20484623	436.439	QWAYIRDPHGEHRE-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137996
CC(CCN1Cc2cc(cn2C1=O)C#CC#CCNC(=O)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315189,SCHEMBL20484624	436.439	QWAYIRDPHGEHRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-137997
O=CC(=O)C1C(Cn2c1cc(c2C(=O)Nc1cccc(c1)F)C)NC1(CC1)c1n[nH]nc1	PC-id_141757318	436.439	KTIAAWSANKEPKD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-137998
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324922369	436.441	WKFWAJZWVSMOHZ-HQFFKOPYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-137999
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-2262343186	436.441	JRBHZOZCEWTPPR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138000
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-7170443468	436.441	UHPTVIUUAFBEDI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138001
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-7533795527	436.441	BCQLQFWSIXDIQJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138002
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)C=Cc1ccc(cc1)C	MCULE-4646264756	436.441	WKFWAJZWVSMOHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138003
OCCc1nn2c(n1)C(C(=N2)C(=O)O)(N)Nc1c(SCC)[nH]n2c1nc(n2)CCO	SCHEMBL7671278	436.449	DKFZZUQGUPDQFA-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-138004
S(c1nn2[nH]c(nc2c1NC1(N)c2n(N=C1C(=O)O)nc(n2)CCO)CCO)CC	PC-id_70158750	436.449	MFIQRWJPDXRPCH-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-138005
C[C@@](CCN1Cc2cc(C#CC#CC3(F)CNC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18587765,CHEMBL4463179	436.457	IYFZBFVPVDFATK-GOSISDBHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-138006
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CNC1)F)(C(=O)NO)S(=O)(=O)C	PC-id_135315185,SCHEMBL20484620	436.457	IYFZBFVPVDFATK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-138007
c1(NC(=O)COc2cccnc2NC(=O)c2ccccc2F)sc2c(CCC2)c1C#N	EMOLS-id_321802619,MCULE-3086399430	436.459	RTMRBOXIENRMSL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138008
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(F)c2)sc2c(CCC2)c1C#N	EMOLS-id_321802875,MCULE-1209191505	436.459	FWSLZBWCZJOBKF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138009
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(F)cc2)sc2c(CCC2)c1C#N	MCULE-5422237105,EMOLS-id_321803131	436.459	SPAQAGPEOVCQOX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138010
[nH]1nc(c2c1CN(C2)C(=O)[C@H](c1ccccc1)OC)NC(=O)c1cc(cc(c1)OC)OC	CHEMBL1172124,PC-id_49798165	436.46	VDZYFAVQSNBHKI-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138011
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OC1(CCCCC1)C(=O)N	PC-id_91435095	436.462	XEOHBIAWDCBVTA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138012
O=C(N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)c1ccccc1)c1ccccc1	PC-id_54767474	436.462	ZSIDCOLMZAMUKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138013
O=CN(c1nn(c2c1CN(C2)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1	PC-id_141257319	436.462	KEZSNKBQWXANEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138014
CCOC(=O)n1nc(c2c1C(C)(C)NC2)Nc1cccc(c1)Nc1ccc(cc1)[N+](=O)[O-]	PC-id_121438503,SCHEMBL17872099	436.464	UOWQNYLCIJQBGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138015
COc1nc(nc(n1)O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	PC-id_70673088,SCHEMBL12144835	436.467	FOAGUPIUNXIMQU-PUODRLBUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-138016
Cn1ccc(n1)C(=O)NCc1nnc2n1C(CC2)C(=O)N1CCN(CC1)c1ncccn1	PC-id_134788509	436.47	YVXKFYRVWFZMON-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-138017
c1(NC(=O)COc2c(F)ccc(F)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2605036897,EMOLS-id_334338465	436.472	QFMHMLWIIZDIQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138018
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncc(cc1)C(F)(F)F)C#N	PC-id_31383311	436.474	ZZIKPYNMNQGNTP-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-138019
Fc1ccc(cc1)N1CC(CC1=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109427	436.479	JXJQXTSZZGYCMD-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-138020
COc1cc(ccc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)csc2)CC(=O)N	PC-id_68467671,SCHEMBL2988010	436.48	LUOCZLGCSGFRGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138021
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)sc2c1CCC2	MCULE-6564092794,CoCoCo_2929526,PC-id_2498299,ZINC22_3380032,EMOLS-id_3496826	436.48	CXJCQNJXGCFFKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138022
s1c2CCCc2cc1C(=O)OC(c1ccccc1)C(=O)Nc1c([N+](=O)[O-])cc(cc1)C	PC-id_18274048	436.48	ZXEBDHXRIYIWJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138023
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(Oc2ccccc2)ccc1)C(=O)N	PC-id_24350054	436.48	BQQOWWGIGFHWRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138024
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	MCULE-5266778581,EMOLS-id_24161208,CoCoCo_2865105,PC-id_25695410,ZINC22_13063455	436.482	RTTYKIOXYMHMQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138025
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N[C@H](CN)c2ccccc2)(C)C)cc1	PC-id_58015656,SCHEMBL12879446	436.482	ZOVBAQMHMNFJAT-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138026
s1c2c(CCC2)c(c1NC(=O)COC(=C1C(=NS(=O)(=O)C)C=CC=C1)[O-])C(=O)N	PC-id_51571139	436.482	GWHYARXCSKSYMH-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-138027
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1C	PC-id_117588474,ZINC22_256055779	436.484	STVMWWAWNCBJHA-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138028
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(C)c1	PC-id_117588480,ZINC22_256055922	436.484	ZARYUQQUBSBAPB-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138029
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC22_256055740,PC-id_117588486	436.484	RKLJSZDADPCKQD-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138030
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccc(cc1)C)c2=O	MCULE-2502042490	436.484	RKLJSZDADPCKQD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138031
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccccc1C)c2=O	MCULE-6667153629	436.484	STVMWWAWNCBJHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138032
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1cccc(C)c1)c2=O	MCULE-4268938611	436.484	ZARYUQQUBSBAPB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138033
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(cccc1)C(=O)N	PC-id_16947963	436.484	ASXSRIACEWWVHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138034
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_16947964	436.484	SGHAGGMFNYPVLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138035
S(=O)(Oc1ccccc1)c1c(/N=C/c3n(N=C2C)c(nn3)CCNC=O)ccc(c1)C	PC-id_20725959	436.487	RWDFZJSKJYJNNM-BSYVCWPDSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138036
c1(C(=O)N2CCC(CC2)c2cc(cc(C)n2)Cc2c(cccc2F)F)c2CCCc2[nH]n1	EMOLS-id_194035,MCULE-6418996830,BDE-25461715,ZINC22_19691569,PC-id_92616880	436.497	WTPYEXMCIMCHBO-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-138037
O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCC2	CHEMBL417400,PC-id_15105343,SCHEMBL9377739	436.497	UCCPFLWGZCMRGP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138038
c1(c2CCCc2sc1N=Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_41271110,MCULE-8619481780	436.499	SXBOSDDPMOKAMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138039
CCOC(=O)c1ccc(cc1)NC(=O)c1c(/N=Cc2cccc(c2)F)sc2c1CCC2	CoCoCo_6250390	436.499	SXBOSDDPMOKAMX-WGARJPEWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138040
CCOC(=O)c1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccc(F)c2)cc1	CoCoCo_6250389,EMOLS-id_46388649,ZINC22_9907617,PC-id_16469622	436.499	SXBOSDDPMOKAMX-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138041
c1(NC(=O)C=Cc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	MCULE-5785638868,PC-id_30862862	436.502	XFZUCLOWTXZYPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138042
Cc1ccc(S(=O)(=O)C)cc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2896147,ZINC22_9508654,MCULE-9654885400,EMOLS-id_3439175,PC-id_4849233	436.502	OLCKKNAZNNUQJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138043
CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc(C(=O)N)c1C	MCULE-9548400218,PC-id_4847970,CoCoCo_2840871,EMOLS-id_3428238,ZINC22_9508622	436.502	YQJOJZWMQPZOPQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-138044
CCOC(=O)n1nc2c(c1NC(=O)C1CCCCO1)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1206376,PC-id_58015655	436.502	FBPROKUSMMZYBN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138045
CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_27575433,CoCoCo_3974279,ZINC22_17212358,MCULE-4503188759,EMOLS-id_24962107	436.502	SYRLHTLQQMIFHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138046
Fc1ccc(cc1)C(=O)N1CCc2c1cc(s2)C(=O)N1CCN(CC1)c1ccncc1	PC-id_97410573	436.502	ADZHCBZHRAARJY-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-138047
Fc1ccc(CNC(=O)Cn2nc3CSCc3c2NC(=O)/C=C/c2ccccc2)cc1	CoCoCo_5277816,ZINC22_97603982,EMOLS-id_337757124	436.502	XFZUCLOWTXZYPP-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138048
n12CCC(C(=O)Nc3ccc(cc3)OCc3ccccc3)c1ccc2C(=O)c1ccccc1	EMOLS-id_31548264,PC-id_46861283,MCULE-4209051879	436.502	KSMDUMWOYBFDIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138049
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(OCc2ccccc2)cc1	PC-id_52340417,ZINC22_51364466	436.502	KSMDUMWOYBFDIA-DEOSSOPVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138050
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC22_51364465,PC-id_52340416	436.502	KSMDUMWOYBFDIA-XMMPIXPASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138051
O=C(/C=Cc1ccccc1)Nc1c2c(nn1CC(=O)NCc1ccc(F)cc1)CSC2	EMOLS-id_45809282,CoCoCo_5277815,ZINC22_35127771	436.502	XFZUCLOWTXZYPP-FLIBITNWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138052
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)NC(c1ccccc1)c1ccccc1	PC-id_139746934	436.502	YDLBZQPEZCZYKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138053
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)NC(=O)OC	PC-id_41044757	436.502	GXXKPNQCUUSLKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138054
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C(=O)NC(=O)OC	PC-id_41044260	436.502	KBVUTRKHBNOSJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138055
s1c2c(CCC2)c(c1NC(=O)c1c(S(=O)(=O)CC)cccc1)C(=O)NC(=O)OC	PC-id_41028480	436.502	WVWZNZSUXYQEGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138056
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C)cc1)C(=O)NC(=O)OC	PC-id_41139665	436.502	HGJHHSNEGHUTOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138057
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CS(=O)(=O)C)cc1)C(=O)N	PC-id_41238473	436.502	PDLCGZBPIZGGHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138058
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(CS(=O)(=O)C)ccc1)C(=O)N	PC-id_27749227	436.502	VTQTXNHSTMSUGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138059
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCS(=O)(=O)c1ccccc1)C(=O)N	PC-id_18204566	436.502	CVOHBXGUNRWJQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138060
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OC	PC-id_41582323	436.502	BONQDNCNLPVCMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138061
c1(NC(=O)CSc2ncc(c(N)n2)C(=O)OCC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_16211329,PC-id_20913488,CoCoCo_2374366,MCULE-2031892059	436.505	KIBOVQNBOACLQY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-138062
N#Cc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C	BindingDB_PC-id_59508344,SCHEMBL597933,PC-id_59508344	436.51	XIYAWZAXLBXABX-KGLIPLIRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-138063
O=C(N1C(c2[nH]nc(NC(=O)c3ncc(cc3)C#N)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72310470	436.51	XIYAWZAXLBXABX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-138064
BrC(c1sc2c(CCC2)c1)c1c(OC)c(Br)cc(Cl)c1	PC-id_63435820	436.589	FTDYNKIDUAQCMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138181
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)NC(=O)OC	PC-id_41271998	436.52	QEHWOCVARISBFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138065
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)C1CCCCC1)C(=O)OCC	PC-id_4330091	436.522	WMPQQSXQWJLIDK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-138066
c1(c2CCCc2sc1N=Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1OC)OC	PC-id_41271133,MCULE-9204901401	436.523	WIBCONRPMIDGLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138067
c1(c2CCCc2sc1N=Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1OC)OC	PC-id_41271155,MCULE-8301037795	436.523	CXFLXFSHLTVOFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138068
c1(c2CCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccccc1OC	ZINC22_722359,MCULE-6534588037,EMOLS-id_2123634,PC-id_1047314,CoCoCo_735987,SPECS-id_AG-667/13796003,CK1682792,TIMTEC36364	436.523	YZNXVNLOWSCOAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138069
c1(c2CCCc2sc1NC(=O)COc1ccccc1)C(=O)Nc1ccccc1OCC	MCULE-9287225432,CoCoCo_735002,PC-id_1367518,ZINC22_1213119,EMOLS-id_1088279	436.523	XXDWITFZCIHFLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138070
c1(c2CCCc2sc1NC(=O)COc1ccccc1)C(=O)Nc1ccc(cc1)OCC	ZINC22_716648,CoCoCo_730784,EMOLS-id_2384741,MCULE-3410154050,PC-id_1043364	436.523	DRSVBIPKUVQUKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138071
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4287952434	436.523	BTCFJXMPKOGAIC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138072
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334337705	436.523	BTCFJXMPKOGAIC-JLHYYAGUSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138073
COc1ccc(cc1)/C=Nc1sc2c(c1C(=O)Nc1ccc(cc1OC)OC)CCC2	CoCoCo_6250482	436.523	WIBCONRPMIDGLS-QFEZKATASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138074
COc1ccc(c(c1)OC)NC(=O)c1c(/N=Cc2cccc(c2)OC)sc2c1CCC2	CoCoCo_6250556	436.523	CXFLXFSHLTVOFN-QFEZKATASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138075
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1	ZINC22_9907678,EMOLS-id_46388763,CoCoCo_6250555,PC-id_16469652	436.523	CXFLXFSHLTVOFN-AFUMVMLFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138076
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1	ZINC22_9907650,EMOLS-id_46388711,CoCoCo_6250481,PC-id_16469639	436.523	WIBCONRPMIDGLS-AFUMVMLFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138077
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)N1CCCCC1	SCHEMBL14057364,PC-id_89238596	436.525	YOERELHCBHOVSX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-138078
CC(Oc1ccc(cc1)NC(=NCc1nnc2n1CCC2)NCCc1cccc(c1)F)C	PC-id_111860254	436.525	ZBTHLFCVRHBSIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138079
CC(Oc1ccc(cc1)NC(=NCc1nnc2n1CCC2)NCCc1ccccc1F)C	PC-id_111860260	436.525	AAKLVJRGRZJZCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138080
S(=O)(=O)(N(CCOC)CCOC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536321	436.525	CQJALYNGIYXHCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138081
c1(c2CCCc2sc1NC(=O)CNCc1cccnc1)C(=O)Nc1ccc(cc1)OC	ZINC22_55526906,CoCoCo_948689,MCULE-4841837064,EMOLS-id_2220898,PC-id_1319114	436.527	OZGRBYCUBLOTGI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138082
c1(NC(=O)c2ccc(cc2)c2ccccc2)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862320,EMOLS-id_24913309,ZINC22_23139004,MCULE-9040635707,CoCoCo_5277589	436.527	JLKABUYLLLBQCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138083
c1(NC(=O)c2ccccc2C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	MCULE-8553933546,PC-id_30862805,EMOLS-id_24913585,ZINC22_23139583,CoCoCo_5277792	436.527	SPNYJVWSVCWNBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138084
c1(NC(=O)c2ccc(cc2)OC)c2CSCc2nn1CC(=O)NCCc1ccccc1	CoCoCo_5277832,ZINC22_23139691,EMOLS-id_24913657,PC-id_30862905,MCULE-1312441134	436.527	IJCDZFBGVIWKDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138085
c1(NC(=O)c2ccc(cc2)OCC)c2CSCc2nn1CC(=O)NCc1ccccc1	ZINC22_23139491,EMOLS-id_24913531,PC-id_30862729,CoCoCo_5277759,MCULE-9483517973	436.527	ZJLWPBQZQROJSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138086
c1(NC(=O)Cc2ccc(cc2)OC)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_24913539,MCULE-6263010180,ZINC22_23139503,PC-id_30862740,CoCoCo_5277765	436.527	OZQMRPLNPPHLQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138087
c1(NC(=O)C(C)Oc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccccc1	PC-id_44053430,MCULE-2765566950,EMOLS-id_28197478	436.527	VQYSGEMIRDAKHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138088
CCCn1c(C)cc(c1C)/C=C(/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2)C#N	CoCoCo_3059358,PC-id_16284410	436.527	SDJNWPPVIKPNAH-LICLKQGHSA-N	00000010110000000000000010000000000000000000000000000000	25-01-138089
CCCn1c(C)cc(c1C)C=C(C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2)C#N	MCULE-1874221653,EMOLS-id_43769626,PC-id_71953410	436.527	SDJNWPPVIKPNAH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-138090
CCCn1c(C)cc(c1C)/C=C(C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2)/C#N	PC-id_97932333,CoCoCo_3059357	436.527	SDJNWPPVIKPNAH-YVLHZVERSA-N	00000010110000000000000010000000000000000000000000000000	25-01-138091
C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2	PC-id_51696588,CoCoCo_5277764,ZINC22_35596865	436.527	VQYSGEMIRDAKHE-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138092
C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2	PC-id_51696589,ZINC22_35596866,CoCoCo_5277763	436.527	VQYSGEMIRDAKHE-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138093
CCN(CC)c1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1	EMOLS-id_324868110	436.527	QCSGLIJJAFMIBO-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138094
CCN(CC)c1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1	EMOLS-id_324874241	436.527	MDWFIRMDCXYJDR-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138095
COc1ccc(CCc2nc3s/c(=Cc4ccc(cc4)N(C)C)/c(=O)n3n2)cc1OC	EMOLS-id_324893704	436.527	ROWIIUICHHTCRM-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138096
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(cc4)N(C)C)/c(=O)n3n2)cc1	EMOLS-id_324890127	436.527	JEQYTLUGEVLFCV-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138097
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)COc1cccc(OC)c1	MCULE-5855134483	436.527	MDWFIRMDCXYJDR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138098
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9135913805	436.527	ROWIIUICHHTCRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138099
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-9602315970	436.527	JEQYTLUGEVLFCV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138100
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)COc1ccccc1OC	MCULE-1510104875	436.527	QCSGLIJJAFMIBO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138101
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(N(C)C)cc1	PC-id_16947892	436.527	WQFRLLRQCJBZLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138102
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053524	436.527	NAGWHHOSUHMYHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138103
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053525	436.527	SKQNLLWJLYRHMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138104
S1Cc2c(nn(c2NC(=O)c2cc(OC)ccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053820	436.527	AGPLSBRCDJGGFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138105
S1Cc2c(nn(c2NC(=O)c2c(OC)cccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053819	436.527	YOHWNQMNYKYZDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138106
S1Cc2c(nn(c2NC(=O)c2c(OCC)cccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053397	436.527	AQIZIYNOAOAJIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138107
S1Cc2c(nn(c2NC(=O)Cc2ccccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053576	436.527	MFVCQZGQTAYBPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138108
S1Cc2c(nn(c2NC(=O)COc2c(cccc2)C)CC(=O)NCc2ccccc2)C1	PC-id_44053433	436.527	RAJSWJMTCAAFSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138109
S1Cc2c(nn(c2NC(=O)COc2cc(ccc2)C)CC(=O)NCc2ccccc2)C1	PC-id_44053434	436.527	BANYFBYYVWNZLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138110
S1Cc2c(nn(c2NC(=O)COc2ccc(cc2)C)CC(=O)NCc2ccccc2)C1	PC-id_44053435	436.527	ZDERGTBBVSBRDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138111
S1Cc2c(nn(c2NC(=O)COc2ccccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053768	436.527	VAZDHEPWDNIGIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138112
S1C(CC(=O)Nc2ccccc2)C(=O)n2nc(nc12)COc1ccc(C(C)(C)C)cc1	PC-id_46872243	436.527	MZONCFDLXLQNHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138113
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2	CoCoCo_2840878,PC-id_25726458,ZINC22_13148299	436.545	VESFLNJPFDGEBI-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138114
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2	PC-id_25726457,ZINC22_13148298,CoCoCo_2840877	436.545	VESFLNJPFDGEBI-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138115
CCc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)C	ZINC22_408630248	436.545	QJWZNBBNYICVRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138116
CCc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)C)cc1	ZINC22_408603851	436.545	GHGDFKHTJXKAED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138117
CC(C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C)OC(=O)c1sc2c(c1)CCC2	EMOLS-id_3485319,PC-id_16249793,MCULE-8540263710	436.545	VESFLNJPFDGEBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138118
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)c1	MCULE-6821191361,ZINC22_12822439,PC-id_24230688,EMOLS-id_43840878,CoCoCo_3314586	436.545	YPFMVLVAUYQUQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138119
CCOC(=O)c1c(NCC(=O)c2cccc(c2)S(=O)(=O)N(C)C)sc2c1CCC2	PC-id_110828815	436.545	BGJAWTVSZVXKFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138120
CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccccc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616997	436.545	DPMQNHPNLHSTGX-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138121
CCOC(=O)c1c(NC(=O)[C@H](C)N(c2ccccc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616999	436.545	DPMQNHPNLHSTGX-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138122
CCOC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408608711	436.545	OSFSSUAHKXHXAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138123
CCOC(=O)c1c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408625428	436.545	VAGHNJPFBSZMGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138124
CCOC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	MCULE-8489522897,EMOLS-id_45709665,PC-id_2389575,ZINC22_3273551	436.545	IAYCKLOJFJKPGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138125
COc1ccccc1c1ccc(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328214141,MCULE-4287629803	436.545	IRCIDMIBPOYYTB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-138126
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1	CoCoCo_4002968,ZINC22_9535379,MCULE-6330545569,EMOLS-id_3642808,PC-id_16360490	436.545	OEJHOLJRZYXCLQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138127
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1OC	CoCoCo_3876891,PC-id_17402291,MCULE-4369539311,ZINC22_9481862,EMOLS-id_11905436	436.545	NCHGEFXICPKDKI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138128
COC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408622916	436.545	WVFXWBQUASWFBV-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138129
COC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408622920	436.545	WVFXWBQUASWFBV-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138130
COC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408611240	436.545	SNFUHYLQIQHXFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138131
COC(=O)c1c(NC(=O)CN(c2c(C)cccc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408625453	436.545	VFMORVLJANNQAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138132
COC(=O)c1c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408628608	436.545	ZIIDCINJXLKBHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138133
COC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408622273	436.545	VMEWBNJAOYKSEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138134
COC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408629449	436.545	BJXJRIHMHQBWGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138135
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C	PC-id_42977480	436.545	JSUZOOJWXYQHDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138136
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_3449701	436.545	ISTZOKZHCAPOGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138137
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1	PC-id_26919414	436.545	QUVASSFHXNEWJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138138
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C	PC-id_40925259	436.545	JSUZOOJWXYQHDO-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138139
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C	PC-id_40925263	436.545	JSUZOOJWXYQHDO-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138140
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)OC	PC-id_23964322	436.545	YYTGMGLRFVLSQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138141
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)OC	PC-id_44993127	436.545	UQQOLBPNIMQAPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138142
s1c2c(CCC2)c(c1NC(=S)Nc1c(C(=O)c2ccccc2)cccc1)C(=O)OC	PC-id_19648853	436.546	SKCITELQEHIBTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138143
CCCCn1c(CN2c3ccccc3C3(C2=O)CN(C3)C(=O)OC(C)C)nc2c1CCC2	SCHEMBL18199734,PC-id_122664599	436.547	DCMMVAFPMMIPHN-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-138144
CCCCN(c1ccc(c(c1)C)/C=c
/c(nc2n1nc(c2C(=O)OC)C)C(=O)CC)CC	SCHEMBL13237734	436.547	INNNBQKZJDKVNF-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138145
COc1cccc(c1)N1CC(CC1=O)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109834	436.547	HALMWZLLMYVWKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138146
COc1ccc(cc1)N1CC(CC1=O)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109835	436.547	PKFVIVCKIOWELO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138147
O=C(c1nc2n(nc(c2C(=O)OC)C)c1=Cc1c(cc(N(CCCC)CC)cc1)C)CC	PC-id_59211602	436.547	INNNBQKZJDKVNF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138148
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1ccccc1)C(=O)Nc1ccc(OC)cc1	PC-id_40490859	436.547	ONAOOQXAEILNOS-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-138149
C1Cn2c(c(cn2)CCCNC=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_86760410,SCHEMBL5147595	436.548	RWHQKWFDYQUTMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138150
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)n(C)nc2CSCc12	PC-id_52900308,EMOLS-id_35787038,MCULE-1895755300,STOCK7S-14240,ZINC22_61719865	436.548	GECCDPPIYQKTOE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138151
NC(=O)CCCc1cnn2c1N(CC2)C(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL5147603,PC-id_17962017	436.548	XESNKYJCDPPKCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138152
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COC)CC=C)C(=O)OCC	PC-id_17136797	436.548	KPAGGQBOXWDFOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138153
c1(c2CCCc2[nH]n1)C(=O)N1CCCC(C1)CCC(=O)N1CCN(CC1)c1ccccn1	Chemmine_31008,MCULE-2468247732,PC-id_45207734,EMOLS-id_24858101	436.55	JKSXGHDDCPXLHZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138154
c1(NC(=O)CSc2nc(C)c(c(=O)[nH]2)Cc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_13131481,CoCoCo_1092247,PC-id_135888172,CoCoCo_1092248,MCULE-4493262920,CoCoCo_1092246,ZINC22_11905577	436.55	NYGFFDYYTWGUBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138155
COCCN1C[C@H]([C@@H](C1)c1ccccc1)NC(=O)Nc1c2CCCc2nn1/C(=C/C)/C=N	SCHEMBL18324271	436.55	KUONUXCMYPCKDL-LSIAQEGMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138156
O=C(C1CCC1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1CCN(C1)Cc1ccccc1	PC-id_58015574,SCHEMBL1205822	436.55	WDIIWHOQSMNCQW-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-138157
O=C(CC[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1)N1CCN(c2ccccn2)CC1	CoCoCo_1361740,ZINC22_12313979,PC-id_42525602,CoCoCo_1361742	436.55	JKSXGHDDCPXLHZ-GOSISDBHSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138158
O=C(CC[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1)N1CCN(c2ccccn2)CC1	PC-id_42525600,ZINC22_12313978,CoCoCo_1361741,CoCoCo_1361743	436.55	JKSXGHDDCPXLHZ-SFHVURJKSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138159
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)OC	PC-id_20414324	436.55	ZQIYUKGWNRBHNP-OCEACIFDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138160
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(N2CCOCC2)nn1)CC)C(=O)N	PC-id_17571196	436.552	GYVIBCNZIPRMJF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-138161
C=NN1C=C(C)C(=N/C/1=C/C1CCCCN1C(=O)c1n[nH]c2c1CCC2)N1CC[C@@H](C1)N	SCHEMBL17703805,PC-id_121297282	436.553	HNSMTXRXRNGZLK-HNONAADNSA-N	00000010100011000001100010000000000000000000000000000000	25-01-138162
c1(c2CCCc2sc1NCc1ccccc1OCC)C(=O)Nc1ccccc1OCC	MCULE-2993020849,PC-id_2291162,EMOLS-id_2177085,CoCoCo_2720391,ZINC22_2993737	436.566	CRLMZEUMPPCPLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138163
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NCCCOC)C)C(=O)N	PC-id_55988608	436.568	YSFSICRVDPNEAL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-138164
s1c2c(CCC2)c(c1NC(=O)C(N1CCCN(CC1)C(=O)OCC(C)C)C)C(=O)N	PC-id_56360344	436.568	HUAQMXFCEUDSNN-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-138165
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC(=O)NCCC)C(=O)OCC	PC-id_55381860	436.568	VQYVOZTYCGEJFG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138166
S(=O)(=O)(N1CC[NH+](CC1)C)c1cc(NC(=O)c2sc3CCCc3c2)c(OC)cc1	PC-id_40844470	436.568	QNTXVMBUPUVNJC-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-138167
Cc1cccc(C(=O)N2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1	PC-id_37113797,ZINC22_29851385,EMOLS-id_36629615,MCULE-6753046254	436.57	WDHKKJMXXPUDSU-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-138168
CC[C@H]([C@@H](c1ccccc1)O)NCCc1ccc(nc1)NC(=O)[C@@H]1CCc2c1ncs2	SCHEMBL10189523,PC-id_68059069	436.57	KSQGLVHWPAIFAE-DNVFCKCGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-138169
N#Cc1c(NC(=O)CCN2CCC(C(=O)NCc3ccccc3)CC2)sc2c1CCC2	ZINC22_12782227,EMOLS-id_18836656,CoCoCo_4467998,PC-id_24589309,CoCoCo_4467997,MCULE-8958970163	436.57	UXOOOJBQYSDSCT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-138170
O=C(c1ccccc1)NC(c1[nH]nc2c1CN(C2(C)C)C(=O)Cc1cccs1)C(C)C	SCHEMBL2915169,PC-id_68439502	436.57	CPBAXUGXDYUGMX-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-138171
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(C)(C)C)Cc1cccs1	PC-id_68439500,SCHEMBL2915167	436.57	UCOOOEWYIBWWIR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-138172
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(NC(=O)c2c(cccc2)C)CC1)C#N	PC-id_55851416	436.57	YIFIWQRPBSAKOP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-138173
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)Cc1c(cccc1)C)C#N	PC-id_56310617	436.57	DWZUDGNMUZIDJV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138174
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)Cc1ccc(cc1)C)C#N	PC-id_56384444	436.57	VXSFUGDMYHDHLH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138175
s1c2CCC(c2nc1)C(=O)Nc1ncc(CCNC(C(O)c2ccccc2)CC)cc1	PC-id_77450458	436.57	KSQGLVHWPAIFAE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-138176
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2	MCULE-5407856722,CoCoCo_3574116,PC-id_2594204,EMOLS-id_3346178,ZINC22_34858814	436.571	PHFBBGSNANYNJK-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-138177
c1(NC(=O)CSc2nc(C)cc(c3cccs3)c2C#N)sc2c(CCC2)c1C#N	EMOLS-id_3750218,MCULE-4130097213,PC-id_1773512,CoCoCo_6930096,STOCK3S-02762,SPECS-id_AM-807/14147319,ZINC22_8451110	436.573	GEOIQWWXPMBPNY-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-138178
S(c1c([nH]nc1NN=C1C(=Nn2c1nnc2C)C(C)(C)C)C(C)(C)C)c1ccccc1	PC-id_71106277	436.576	MHXMCYCWUBZPFK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138179
O(CC(CCCC)CC)C(=O)N(c1onc2c1CCC2)C(=O)OCC(CCCC)CC	PC-id_58664474	436.585	ADIJJJLUKRYCKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138180
c1(NC(=O)CSc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334334625,MCULE-3518382896	436.59	JJPYNSNGHVYHJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138182
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCCCN1CCN(CC1)c1ccccc1	PC-id_101676822	436.59	WMVIDKVXZGDDSM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138183
O=C(NCc1cccc(CNC(=O)c2cc3c(s2)CCC3)c1)c1cc2c(s1)CCC2	PC-id_2348907,ZINC22_3230805,MCULE-7388992903,EMOLS-id_48976513,CoCoCo_3758948	436.59	XEUBVEZOHDHHHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138184
s1c2c(CCC2)c(c1NC(=S)N(Cc1ccccc1)Cc1ccccc1)C(=O)OC	PC-id_19653556	436.59	YUYZZEBVPPMFNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138185
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)c2CSCc2nn1C(C)(C)C	CoCoCo_4972673,MCULE-2423266243,EMOLS-id_5426269,ZINC22_8660844,PC-id_4608442,ChEMBL-DNDi_CHEMBLF0396-0170	436.591	BOWAQYWLEYDANR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138186
c1(NC(=O)CSc2nnc(C(C)C)n2CCC)sc2c(CCC2)c1C(=O)OCC	MCULE-5712467042,TIMTEC258309,PC-id_17373703,CoCoCo_6808650,ZINC22_17100740,EMOLS-id_4122816	436.591	KDVBCBKUVXLXKC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138187
CCCCNC(=O)C[N@@H+]1CCN(CC1)[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC22931214	436.591	VCNSIWKFQZLRPV-CQSZACIVSA-O	00000010100010000001000010000000000000000000000000000000	25-01-138188
OC1CCC(CC1)Nc1nc(Nc2nc3c(s2)CCC3)cc(c1)S(=O)(=O)C(C)C	PC-id_118642042	436.591	HTZICCXPSPHNMX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-138189
O[C@@H]1CC[C@H](CC1)Nc1nc(Nc2nc3c(s2)CCC3)cc(c1)S(=O)(=O)C(C)C	SCHEMBL17413512	436.591	HTZICCXPSPHNMX-HDJSIYSDSA-N	00000010100010101001000010000000000000000000000000000000	25-01-138190
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C(C)C)C(=O)OCC	PC-id_19717368	436.591	NKPBJKMGBPDXPJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138191
N#Cc1c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(cc2)C(C)C)sc2c1CCC2	PC-id_41059762,GD-id_ZINC09412999	436.613	HNBJZBPADCUIAX-HSZRJFAPSA-O	00000010100100110000000010000000000000000000000000000000	25-01-138192
s1c2c(CCC2)c(c1NC(=O)CCN(C1CN(CC1)C(c1ccccc1)C)CC)C#N	PC-id_56526272	436.613	UJMHCQYMJQZQBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138193
s1c2CCCc2c(c1NC(=O)C[NH2+]C(c1ccc(C(C)C)cc1)c1sccc1)C#N	PC-id_74741372	436.613	HNBJZBPADCUIAX-UHFFFAOYSA-O	00000010100100110000000010000000000000000000000000000000	25-01-138194
s1c2CCCc2c(c1NC(=O)C[NH2+][C@@H](c1ccc(C(C)C)cc1)c1sccc1)C#N	PC-id_41059758	436.613	HNBJZBPADCUIAX-QHCPKHFHSA-O	00000010100100110000000010000000000000000000000000000000	25-01-138195
CC1(C(=NOC(=O)N(C)SSc2ccc(cc2)C(C)(C)C)n2ccnc2S1)C	SCHEMBL11047985,PC-id_88714400	436.614	MLIPBSOZRKNRHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138196
COc1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc(OC)c1OC	EMOLS-id_324911105	436.697	YYKRZJOJSXXSJT-POHAHGRESA-N	00000000100000110001000010000000000000000000000000000000	25-01-138197
n12c(=O)c(=Cc3cc(OC)c(c(OC)c3)OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-3143842174	436.697	YYKRZJOJSXXSJT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138198
Brc1ccc(c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)Cl	PC-id_92109784	436.773	OZYFHASYEDGKGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138199
S(C1SC(=S)c2c1c(SC(C)(C)C)sc2SC(C)(C)C)C(C)(C)C	PC-id_14168424	436.805	RUCZOTJANJWIQE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138200
ClC(=O)N1C(c2nn(c(NC(=O)C3(CCC3)C(F)(F)F)c2C1)C(=O)OCC)(C)C	PC-id_57523244	436.813	BUOCECUDMHBGDJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-138201
Clc1c(N2CCN(CC2)C(=O)[O-])ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	PC-id_69481199,SCHEMBL5541565	436.826	AJTIYAPLJDVWFD-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-138202
Clc1c(N2CCN(CC2)C(=O)[O-])ccc(OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	PC-id_69481201,SCHEMBL5541573	436.826	AJTIYAPLJDVWFD-GOSISDBHSA-M	00000010100010110001100010000000000000000000000000000000	25-01-138203
c1(NC(=O)NN=Cc2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-5198896381,PC-id_73549960	436.869	XUXSBDSBOGJCAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138204
Clc1c([N+](=O)[O-])cc(/C=N/NC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_19168820	436.869	XUXSBDSBOGJCAB-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138205
C1(c2c(c(NC(=O)Nc3cccc(Cl)c3)sc2CC1)C(=O)OCC)C(=O)OCC	PC-id_2815129,EMOLS-id_1112093,MCULE-6357713200	436.909	SUJXBENNRMZWFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138206
Clc1ccc(OC(C)(C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_45687615	436.909	RWMAOCIJJORNBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138207
Clc1cc(c(OC(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1)C	PC-id_45636837	436.909	SCLVTAYIIFFHAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138208
Clc1cc(c(O[C@H](C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1)C	PC-id_51906303	436.909	SCLVTAYIIFFHAY-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138209
Clc1cc(c(O[C@@H](C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1)C	PC-id_51906304	436.909	SCLVTAYIIFFHAY-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138210
Clc1cc(C(=O)/N=c/2sc3C(OC(=O)c3n2CC2OCCC2)(C)C)c(OC)cc1	PC-id_74349295	436.909	ZXSNBBBKFKVBAD-QOCHGBHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138211
Clc1cc(C(=O)/N=c/2sc3C(OC(=O)c3n2C[C@@H]2OCCC2)(C)C)c(OC)cc1	PC-id_24900196,SCHEMBL3385051	436.909	ZXSNBBBKFKVBAD-JOKLBXFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138212
Clc1cc(NC(=O)Nc2sc3c([C@@H](CC3)C(=O)OCC)c2C(=O)OCC)ccc1	PC-id_29993292	436.909	SUJXBENNRMZWFQ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138213
Clc1cc(NC(=O)Nc2sc3c([C@H](CC3)C(=O)OCC)c2C(=O)OCC)ccc1	PC-id_29993293	436.909	SUJXBENNRMZWFQ-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138214
Clc1ccc(C(=O)c2ccc(OCC(=O)Nc3sc4CCCc4c3C#N)cc2)cc1	PC-id_24439865	436.911	FSDOKNOFVMTCMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138215
Clc1n(nc(c1C=CC(=O)OC(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C)C	PC-id_75866702	436.912	PSDUZEHWOWNMHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138216
Clc1n(nc(c1/C=C/C(=O)O[C@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C)C	PC-id_52549807	436.912	PSDUZEHWOWNMHV-JARNTUPDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138217
Clc1n(nc(c1/C=C/C(=O)O[C@@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C)C	PC-id_52549808	436.912	PSDUZEHWOWNMHV-QROSGCPLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138218
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=S)Nc1ccc(cc1)Cl	PC-id_86604815	436.916	BSKMCOZCYPQMKM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138219
CCOC(=O)CN(C(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(Cl)cc1	EMOLS-id_328338586,MCULE-8956392681	436.931	VIZMHXVQDQSPIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138220
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1cc(Cc2cccc(Cl)c2)cc(C)n1	EMOLS-id_265417,MCULE-1602669796,BDF-26220006	436.934	IMVXUWDZJKBPBW-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-138221
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1cc(cc(C)n1)Cc1ccccc1Cl	BDF-26220004,EMOLS-id_265415,MCULE-2288413448	436.934	SKKCSPPBMOLFCO-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-138222
Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257304181	436.934	SKKCSPPBMOLFCO-JOCHJYFZSA-N	00000010100010111001100010000000000000000000000000000000	25-01-138223
Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257304182	436.934	SKKCSPPBMOLFCO-QFIPXVFZSA-N	00000010100010111001100010000000000000000000000000000000	25-01-138224
Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257244803	436.934	IMVXUWDZJKBPBW-JOCHJYFZSA-N	00000010100010111001100010000000000000000000000000000000	25-01-138225
Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257244804	436.934	IMVXUWDZJKBPBW-QFIPXVFZSA-N	00000010100010111001100010000000000000000000000000000000	25-01-138226
Cc1ccccc1C(c1ccccc1)N1CCN(CC1)C(=O)c1nn2CCOc2c1Cl	PC-id_91959995	436.934	UKLPXTZCKOSSLL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138227
Clc1ccc(s1)S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1ccccc1	EMOLS-id_316319030,MCULE-9017160323	436.936	FQQDCOCICOXINB-ZDUSSCGKSA-N	00000010100100110001000010000000000000000000000000000000	25-01-138228
S(=O)(=O)(NC1Cc2n(ncc2C(=O)NCc2ccccc2)C1)c1ccc(Cl)s1	MCULE-8339924898	436.936	FQQDCOCICOXINB-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-138229
c1(NC(=O)C(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7903593467,EMOLS-id_334385433	436.952	KOCAXBZFTFVBOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138230
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387736,MCULE-8181900110	436.952	RGUIXHZSRMFOKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138231
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCCC	PC-id_30862099,ZINC22_23138760,MCULE-9513895154,EMOLS-id_24913143,CoCoCo_5277501	436.955	GSTBKRSVJMAAQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138232
CCN(CC)c1ccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_27022611	436.957	BKXLPZAXJPWXBT-IFIIVODNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138233
CCN(CC)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1	ZINC22_16735148,EMOLS-id_45964801	436.957	BKXLPZAXJPWXBT-XLPBZENTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138234
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-7160206235	436.957	BKXLPZAXJPWXBT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138235
c1(NC(=O)CS(=O)CCCCOc2ccc(Cl)cc2)sc2c(CCC2)c1C#N	EMOLS-id_320645876,MCULE-1714873307	436.975	VNYTUMORULVVSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138236
Clc1c(CCC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_17179270	436.975	CXWAXNMOSYSVIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138237
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]CC(C)C)c(OC)cc1	PC-id_26875339	436.975	PDHUTNUESJOIBY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-138238
C1CC2=C(C(=C(N2C1)C(=O)C(=O)N(C3CC(C3)O)C4=CC(=C(C=C4)F)F)Cl)C(=O)N	PC-id_153293016	437.095	XOVFBOIJUKYWQO-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-138239
C1C2=CN(N=C2CN1C(=O)[C@H](C3=CC=CC=C3)O)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931953	437.097	FQXQJIWANTYZQZ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138240
C1C2=CN(N=C2CN1C(=O)[C@@H](C3=CC=CC=C3)O)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931956	437.097	FQXQJIWANTYZQZ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138241
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CN(N=C4)C(F)F	PC-id_164871996	437.097	ZCXMZEIIRGLWSA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138242
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3F)SC4=CN(N=C4)CC(F)F	PC-id_164872082	437.113	QAEWJOZMJYDWIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138243
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CCCC	PC-id_78141195	437.124	ZHGRJKYNBVIPRA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138244
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CC(C)C	PC-id_78141196	437.124	LOKXOZKUZHOZLA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138245
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CCCC	PC-id_71658167	437.124	ZHGRJKYNBVIPRA-HCKVZZMMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138246
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CC(C)C	PC-id_71658168	437.124	LOKXOZKUZHOZLA-HCKVZZMMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138247
CCN(CC)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C(C(S3)N=NC4=CC=NC=C4)C	PC-id_153258000	437.146	WUQSKNHJUWXLLW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-138248
CCCCC(C(=O)N1C(=O)c2c(C1=O)c(sc2Br)Br)CC	PC-id_140257058	437.147	QADFSDFRTNWKQP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138249
CC1CCC2=C(N(N=C12)C(=O)OC(C)(C)C)NC(=O)CC3=CC=C(C=C3)C4=CSC=C4	PC-id_154013652	437.177	HFWCQBRFEZTRIC-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-138250
CCCCCCCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_101912414	437.19	FQZZWJQACSOYQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138251
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/NN)C(=O)Nc1cccc(c1)N	PC-id_163577366	437.218	GEQNBLWEXHZQAC-WJDWOHSUSA-N	00100010100000110000000010000000000000000000000000000000	25-01-138252
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)N)n(C)nc(C(F)(F)F)c1Br	TIMTEC262862,EMOLS-id_4123206,PC-id_17020410,ZINC22_2775027,CoCoCo_6578614,MCULE-4054313912	437.235	KIWCEJUFTYFUHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138253
c12CN(Cc1nn(CC1CCC1)c2I)C(=O)OCc1ccccc1	EMOLS-id_324342886,MCULE-6747945490	437.275	UCMSSKZOTLVGJT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-138254
Cc1c(ccnc1)N1CCC(CC1)CCn1c2c(CCC2)c(n1)C(=O)N1CCC(CC1)O	PC-id_163717018	437.279	KOGBSVWNYMTKME-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138255
c1(NC(=O)c2cc(OC)c(c(OC)c2Br)OC)sc2c(CCC2)c1C#N	EMOLS-id_322622543,MCULE-9808623713	437.308	ZKKZMCWEWMOZEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138256
NC(=O)c1c(NC(=O)COC(=O)Cc2ccc(Br)cc2)sc2c1CCC2	EMOLS-id_3158504,CoCoCo_2968796,PC-id_2399747,MCULE-6993316720,ZINC22_3284204	437.308	JONRMACIISMOMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138257
Brc1ccc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_16539964	438.292	CGPVUWIOGDQJHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138679
FC(F)(F)Oc1ccc(c2cnc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)nc2)cc1	PC-id_50913335,SCHEMBL1227031	437.329	WECLZTDASODIEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138258
FC(F)(F)Oc1ccc(c2ncc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cn2)cc1	SCHEMBL1228808,PC-id_50913336	437.329	WGAMHROVWXKGKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138259
FC(F)(F)Oc1ccc(c2ncc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)nc2)cc1	PC-id_50913631,SCHEMBL1227063	437.329	AFKAYDDCLGFYBU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138260
Clc1c(NC(=O)CN(CC(=O)Nc2sc3CCCc3c2C#N)C)c(Cl)ccc1	PC-id_4824908	437.343	LHVMGUZCLFAKQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138261
Brc1c(C(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	EMOLS-id_11845573,MCULE-3605396953,PC-id_16381702	437.351	GBPCYMUXKUZRLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138262
c1(NC(=O)c2cccc(Br)c2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3437945752,EMOLS-id_334388754	437.351	NJMBTJUMOMOQNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138263
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387484,MCULE-7561143546	437.351	HMBWSHDRLZYURR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138264
c1(NC(=O)c2ccccc2Br)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7400123770,EMOLS-id_334387218	437.351	MHDRVXWOYDOCEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138265
c1(NC(=O)CCCOc2ccc(cc2Br)C)sc2c(CCC2)c1C(=O)N	MCULE-7600854593,PC-id_19202134	437.351	QMUYYODAXFULSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138266
c1(NC(=O)COc2ccc(cc2Br)C(C)C)sc2c(CCC2)c1C(=O)N	PC-id_19202138,MCULE-3646472367	437.351	UWSAJRPSUVSGIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138267
c1(NC(=O)COc2ccc(cc2Br)CCC)sc2c(CCC2)c1C(=O)N	PC-id_19202140,MCULE-5943813511	437.351	KNACRRLBLBOYOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138268
c1(NC(=O)COc2ccc(cc2C(C)C)Br)sc2c(CCC2)c1C(=O)N	MCULE-9195818997,PC-id_19202136	437.351	JBHRZBGPLHTLGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138269
COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2Br)sc2c1CCC2	PC-id_40986737,CoCoCo_3593961,ZINC22_57315210	437.351	GBPCYMUXKUZRLV-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138270
COC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2Br)sc2c1CCC2	PC-id_40986741,CoCoCo_3593960,ZINC22_57315211	437.351	GBPCYMUXKUZRLV-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138271
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_3476691	437.356	RPSCULNTNICHFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138272
C[n+]1ccn2c1C=C(C2=Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F	PC-id_101389844	437.361	FKXVJHKANNEQCQ-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-138273
CN=C(N1CCC(CC1)COc1cc(Cl)cc(c1)Cl)NCc1nnc2n1CCC2	PC-id_109524711	437.366	OIEVDCUHWOVHKK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138274
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)COc1ccc(cc1)C1CC=C(C=C1)OC(F)(F)F	SCHEMBL16364416,PC-id_117794295	437.369	WDSHINWQEGACLQ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-138275
CC(C)(NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(Br)cc1	EMOLS-id_328216441,MCULE-8624808187	437.372	MAEAZSQPFCHVBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138276
Brc1ccc(cc1)C[N@@H+]([C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	PC-id_25507184,GD-id_ZINC12782196	437.374	BZBZCFVHHOGPSJ-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-138277
Brc1ccc(C[NH+](C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_74457821	437.374	BZBZCFVHHOGPSJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-138278
Brc1ccc(C[NH+]([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_25507187	437.374	BZBZCFVHHOGPSJ-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-138279
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]CCC)cc1	PC-id_26875269,GD-id_ZINC15946531	437.374	LEBKZQNTROAROC-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-138280
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC(C)Cn2c(C)cc(C(F)(F)F)n2)n1	MCULE-6215151267,TIMTEC268585,EMOLS-id_8867431,PC-id_19590967	437.383	KPDXWFNXJRZWFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138281
Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	PC-id_29092457,ZINC22_20607541	437.383	KPDXWFNXJRZWFP-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-138282
Cc1cc(C(F)(F)F)nn1C[C@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607542,PC-id_29092458	437.383	KPDXWFNXJRZWFP-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138283
CCC(C(=O)NC(C)Cn1ccc(n1)C(F)(F)F)n1nc(c2CCCc12)C(F)(F)F	TIMTEC280958,EMOLS-id_8867725,PC-id_19591106,MCULE-5313200133	437.383	LCZHATCMILARTQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138284
CCC(C(=O)NCCn1nc(cc1C)C(F)(F)F)n1nc(c2CCCc12)C(F)(F)F	TIMTEC325520,EMOLS-id_8867395,MCULE-3874474725,PC-id_19590950	437.383	NARDEHODFMAQKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138285
CC[C@H](C(=O)NCCn1nc(C(F)(F)F)cc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092466,ZINC22_20607553	437.383	NARDEHODFMAQKT-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138286
CC[C@@H](C(=O)NCCn1nc(C(F)(F)F)cc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607552,PC-id_29092465	437.383	NARDEHODFMAQKT-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138287
CC[C@H](C(=O)N[C@@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092540,ZINC22_20607652	437.383	LCZHATCMILARTQ-CMPLNLGQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138288
CC[C@@H](C(=O)N[C@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092541,ZINC22_20607654	437.383	LCZHATCMILARTQ-PWSUYJOCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138289
CC[C@@H](C(=O)N[C@@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607651,PC-id_29092539	437.383	LCZHATCMILARTQ-JQWIXIFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138290
CC[C@H](C(=O)N[C@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607655,PC-id_29092542	437.383	LCZHATCMILARTQ-ZYHUDNBSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138291
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)(C)C)sc2c(CCC2)n1	EMOLS-id_334659799,MCULE-1626933150	437.394	VGDRNFZHDUECRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138292
CN=C(NCc1nnc2n1CCC2)NCC(Sc1ccc(cc1)Br)(C)C	PC-id_111510283	437.4	QYLBJWFVNNHROS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138293
s1c2CCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)c1cc(ccc1)C(F)(F)F	PC-id_46652849	437.435	MMEOAFVXLXONBW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-138294
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OC(=O)C	EMOLS-id_46370298,ZINC22_27023150	437.444	SYQUADMTAOONMK-RQYXHQRCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138295
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)F	MCULE-3499356577	437.444	SYQUADMTAOONMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138296
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1occc1)C(=O)OC	PC-id_3712378	437.447	VZKNLZUNPMKWRK-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-138297
CCc1ccc(cc1)NC(=O)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_122501182,SCHEMBL18031087	437.449	QCYWVTHZJKMUOM-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138298
CCc1ccc(cc1)NC(=O)Nc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19704651	437.449	QCYWVTHZJKMUOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138299
c1(N(=O)=O)c(C)nn(Cc2cc(ccc2OC)C=NNC(=O)c2c3CCCc3[nH]n2)c1C	PC-id_3501240,MCULE-3108256547	437.452	JFNLENXMIFDINS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138300
COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=NNC(=O)c1[nH]nc2c1CCC2	CoCoCo_2631217,CoCoCo_2631215	437.452	JFNLENXMIFDINS-YVNNLAQVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138301
COc1ccc(/C=N/NC(=O)c2n[nH]c3CCCc23)cc1Cn1nc(C)c(c1C)[N+](=O)[O-]	CoCoCo_2631214,EMOLS-id_27199124,CoCoCo_2631216,PC-id_9623403	437.452	JFNLENXMIFDINS-LSHDLFTRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138302
CCOCCCc1c(C#N)nc2n1C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261657	437.455	PYZSGLRSBHGFAR-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138303
O=CCC([C@@H](c1cc(F)cc(c1F)F)N1Cc2c(C1)cn(c2)C)NC(=O)OC(C)(C)C	PC-id_141263349	437.455	ZJRRPZAWAZYXQP-ROPPNANJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138304
s1c2c(CCC2=O)c(Oc2c(F)cc(F)cc2)c1N(S(=O)(=O)C)S(=O)(=O)C	PC-id_49875137	437.459	NSEGCDATXDBRBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138305
CC1C2C(C(=O)N2C(=C1SC1Cc2nccn2C1)C(=O)OCOC(=O)OC)C(C)O	PC-id_89435328	437.467	WOHICYZRGGQYFU-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-138306
CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)sc2c1CCC2	EMOLS-id_3507115,PC-id_16254893,MCULE-1159952873,CoCoCo_2818900,ZINC22_9167628	437.467	SATJLLPTKUXGHK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138307
COC(=O)OCOC(=O)C1=C(S[C@H]2Cn3c(C2)ncc3)[C@@H]([C@H]2N1C(=O)[C@@H]2[C@H](O)C)C	SCHEMBL14772601	437.467	WOHICYZRGGQYFU-JIFFNSBPSA-N	00001011100000000001001010000000000000000000000000000000	25-01-138308
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccc(cc1)OC	BAS-00486948,ZINC22_1081041,EMOLS-id_1231073,MCULE-3852228470,CoCoCo_81804,PC-id_1268012	437.468	DQBFECWIZHUQJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138309
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccccc1OC	BAS-00486967,EMOLS-id_1231091,PC-id_1350855,CoCoCo_81813,MCULE-2579105166,ZINC22_1188820	437.468	BZVIJQREAHMMRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138310
c1(c2CCCc2sc1NC(=O)c1ccc(c(c1)N(=O)=O)OC)C(=O)Nc1ccccc1	ZINC22_1056251,CoCoCo_543454,EMOLS-id_2497861,PC-id_1247399,MCULE-7622700115,TIMTEC267005	437.468	KNKUTUQGZWGUHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138311
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4565719734	437.468	KASCIYHBDJOUGO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138312
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6140968544	437.468	PMRZELKHBMFMMS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138313
COc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc(OC)c1OC(=O)C	EMOLS-id_48841634,ZINC22_9914744	437.468	FFVNLFRAWAIGSV-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138314
COc1cc(/C=c/sc3nc(Cc4ccccc4)nn3c2=O)cc(OC)c1OC(=O)C	ZINC22_98002366,PC-id_97971785	437.468	FFVNLFRAWAIGSV-WOJGMQOQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138315
COc1c(OC(=O)C)c(OC)cc(C=c2c(=O)n3c(nc(n3)Cc3ccccc3)s2)c1	EMOLS-id_44026471,MCULE-3306992062	437.468	FFVNLFRAWAIGSV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138316
[O-][N+](=O)c1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c1	EMOLS-id_334338216	437.468	PMRZELKHBMFMMS-MDZDMXLPSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138317
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334341280	437.468	KASCIYHBDJOUGO-DHZHZOJOSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138318
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(Oc2cccnc2)cccc1)C(=O)N	PC-id_56256556	437.468	VXGJLNIVEOFSLH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138319
COc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1)F	SCHEMBL1370274,PC-id_67008663	437.47	TYKQDKJFCWOZTG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-138320
COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1	PC-id_59474192,SCHEMBL1370278,BindingDB_PC-id_59474192,BindingDB-id_218933	437.47	TYKQDKJFCWOZTG-XJKSGUPXSA-N	00100010100000110001100010000000000000000000000000000000	25-01-138321
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccco2)sc2c(CCC2)c1C#N	MCULE-1053610984,EMOLS-id_321872248	437.472	XIMKGBVFCFGPRL-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-138322
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)C)sc2CCCc2c1C#N	EMOLS-id_333644959,MCULE-9818305994	437.472	FXJKPYDOOBZOHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138323
c1(NC(=O)COc2nonc2CC(=O)Nc2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_333650322,MCULE-3266175855	437.472	VIEOINQKAHHDTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138324
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_333650833,MCULE-7881490821	437.472	ZYSFGWLFEZARAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138325
c1(NC(=O)COc2nonc2CC(=O)NCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333683807,MCULE-2605629854	437.472	DLQLPWXNGWQJTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138326
c1(NC(=O)COc2nonc2C(=O)Nc2ccccc2CC)sc2CCCc2c1C#N	MCULE-2047825775,EMOLS-id_333678584	437.472	IMPNGBUNMOSGOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138327
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)CC)sc2CCCc2c1C#N	MCULE-5138284193,EMOLS-id_333677046	437.472	DBVIQFMQFWMAPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138328
c1(NC(=O)COc2nonc2C(=O)Nc2cc(C)ccc2C)sc2CCCc2c1C#N	EMOLS-id_333680120,MCULE-3719977083	437.472	UCZHPQKBYPQUBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138329
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(C)cc2C)sc2CCCc2c1C#N	MCULE-6963111673,EMOLS-id_333679608	437.472	HINBCCKAONEODJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138330
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(C)c2C)sc2CCCc2c1C#N	MCULE-7302607053,EMOLS-id_333679352	437.472	VKAHMTWLXVOWTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138331
c1(NC(=O)COc2nonc2C(=O)Nc2cc(C)cc(C)c2)sc2CCCc2c1C#N	EMOLS-id_333679093,MCULE-7919616415	437.472	JZRKEGLTBJZSAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138332
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(C)c(C)c2)sc2CCCc2c1C#N	MCULE-8210580433,EMOLS-id_333677301	437.472	SIJLMASQCNQPQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138333
c1(NC(=O)COc2nonc2C(=O)NCc2ccc(cc2)C)sc2CCCc2c1C#N	EMOLS-id_333715006,MCULE-7128380015	437.472	ZPNXWEKXGMAQQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138334
c1(NC(=O)COc2nonc2C(=O)NCc2ccccc2C)sc2CCCc2c1C#N	MCULE-9194772248,EMOLS-id_333714236	437.472	GNQOGECOBFECDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138335
c1(NC(=O)COc2nonc2C(=O)NCc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_333713724,MCULE-4217594051	437.472	BTHOVJIUYXOXJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138336
c1(NC(=O)COc2nonc2C(=O)NCCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333713723,MCULE-7750395174	437.472	NNOSUQJLCGGWRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138337
c1(NC(=O)COc2nonc2C(=O)N(C)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-7185364365,EMOLS-id_333663178	437.472	YQQNNJOVKNQEJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138338
O=C(Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1)CCC(=O)c1cccs1	SCHEMBL2917125,PC-id_68440200	437.472	KNHNZQXPZXLNJW-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-138339
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(cc1)C#N)C)C(=O)N	PC-id_38854324	437.472	KPRUUKOWCRNHTL-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138340
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(cc1)C#N)C)C(=O)N	PC-id_38854327	437.472	KPRUUKOWCRNHTL-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138341
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1cc(ccc1)C#N)C)C(=O)N	PC-id_56329648	437.472	BBYYYBGNDJHPMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138342
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C#N)C)C(=O)N	PC-id_85505630	437.472	KPRUUKOWCRNHTL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138343
S1Cc2c(nn(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053418	437.472	IJWSKINFZIHBJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138344
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])ccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053417	437.472	KWPZDHSJOOBGDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138345
S1Cc2c(nn(c2NC(=O)c2c([N+](=O)[O-])cccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053416	437.472	PRSQAOCHOREAAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138346
s1c2c(CCC2)c(c1Nc1nc(NC(OCC)OCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127548	437.473	CDIUZVZBOJEBIX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-138347
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1ccccc1C(F)(F)F	MCULE-5819556269,ZINC22_36386774,EMOLS-id_11753368,PC-id_16320761,CoCoCo_3865317	437.478	DHZWMXVNWOZBDC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138348
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1[nH+]cc(cc1)C(F)(F)F)C#N	PC-id_40863854	437.482	ZZIKPYNMNQGNTP-UHFFFAOYSA-P	00000010100010101001100010000000000000000000000000000000	25-01-138349
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC(F)(F)F)nn1)C(=O)N	PC-id_56210184	437.483	PQOFJEUTBQMWFE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138350
CCNC(=NCc1nnc2n1CCC2)NCC1CCN(CC1)S(=O)(=O)C(F)(F)F	PC-id_111559918	437.484	IKLZDNNPNLEZOV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138351
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331628995,MCULE-8566120748	437.487	DGTFRPLLAIDCNS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138352
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccccc2F)sc2CCCc2c1C#N	MCULE-1309655358,EMOLS-id_331630277	437.487	PMQFGGCQRLOIHO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138353
COC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)C)c2)sc2c1CCC2	EMOLS-id_43714359,ZINC22_11316801,MCULE-2387332916,PC-id_41921593	437.487	UALVHQDSSMVEGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138354
COC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_9837656,EMOLS-id_43711063,MCULE-5907921290,PC-id_16514578	437.487	FWPBBIKMLADSCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138355
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)C=Cc1ccc(cc1)F	MCULE-1167344843	437.487	NVOAXUUPLMXUQU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138356
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OC	PC-id_3908169	437.487	IKFQSZLKCZDVHF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-138357
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(S(=O)(=O)C)cccc1)C(=O)OC	PC-id_30547350	437.487	QSMWLQINTLBXQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138358
CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_48948452,ZINC22_17109143,PC-id_27530916,MCULE-5270385135	437.49	DGBYYYGBZCPLMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138359
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1cccc(c2cccc(c2)C(=O)O)n1	EMOLS-id_328224381,MCULE-9350749454	437.49	QSOFPYLQIDJPGJ-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-138360
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NC)ccc1)C(=O)N	PC-id_4676477	437.49	BDKQIMIXYAIINY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138361
c1(C(=O)N2CCN(CC2)C(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c2CCCc2[nH]n1	MCULE-3726797670,EMOLS-id_323258042	437.492	UAWBUKCQXATCIB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138362
c1(C(=O)NC2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1COc1cccc(C)c1	MCULE-7129849358	437.492	UPOWQAZFTMMNHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138363
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NC(C)C)c3)C2)noc(C)c1COc1cccc(C)c1	MCULE-9922156846,EMOLS-id_316329786	437.492	UPOWQAZFTMMNHW-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138364
O=C(c1ccc(cc1)c1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)NCc1ccccc1	PC-id_68440549,SCHEMBL2918208	437.493	GBKSSPPXIQYTGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138365
CCc1onc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1N(C)C	PC-id_69077604,SCHEMBL4521722	437.495	AWYCDBGVKJKTLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138366
O=C(c1ccccc1S(=O)(=O)C(F)F)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109915	437.503	FVOHDLRVYCMNJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138367
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCSc1ccc(F)cc1)C(=O)OC	PC-id_24347448	437.505	DVAGTKXUCFIGJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138368
COC(=O)c1ccc(n2c(C)cc(C(=O)COC(=O)c3cc4c(s3)CCC4)c2C)cc1	EMOLS-id_3179288,PC-id_2420797,CoCoCo_2840801,ZINC22_3305128,MCULE-7634845623	437.508	MFGOAMRKWBUUKS-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-138369
Fc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3598297,PC-id_16299158,MCULE-3382678377	437.508	RLLHNWSUDPYCSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138370
NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	CoCoCo_3662888,ZINC22_8896156,PC-id_40860528	437.508	RLLHNWSUDPYCSW-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138371
NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	PC-id_40860521,CoCoCo_3662889,ZINC22_8896150	437.508	RLLHNWSUDPYCSW-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138372
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCOc2ccccc2)cc1)C(=O)OC	PC-id_4952708	437.508	BWFSKINMZJDFSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138373
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCOc2ccccc2)ccc1)C(=O)OC	PC-id_4954936	437.508	IZKHLUVCQUARES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138374
s1c2c(CCC2)c(c1NC(=O)c1c(OCCOc2ccccc2)cccc1)C(=O)OC	PC-id_4954303	437.508	GNOAUTTXXNIJTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138375
S(=O)(=O)(N1C(CCC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1ccc(F)cc1	PC-id_24514585	437.508	GZQVWKILGRGXDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138376
c12c(CCC1C(=O)Nc1ccc(cc1OC)OC)sc(NC(=O)c1ccc(cc1)C)n2	Chemmine_45424,MCULE-1729307219,EMOLS-id_12347249,PC-id_16947594	437.511	ONXVMFUOBADISP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138377
c12c(CCC1C(=O)Nc1cc(C)ccc1OC)sc(NC(=O)c1ccc(cc1)OC)n2	PC-id_16947921,EMOLS-id_12347905,MCULE-8925191696	437.511	KTEPWDAORKWMNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138378
c12c(CCC1C(=O)Nc1ccc(c(OC)c1)OC)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947593,MCULE-1763332525,EMOLS-id_12347247	437.511	NJHZGCWXGUBYHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138379
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)C#N)C(=O)O	PC-id_135188120,SCHEMBL20340284	437.511	DJTMCRNKJYGMES-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-138380
c1(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-1772987487,CoCoCo_2666505,EMOLS-id_16383092,PC-id_4362308	437.511	PIILBODRESJLDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138381
c1(NC(=O)c2cc(on2)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_17011053,TIMTEC441760,EMOLS-id_5659891,MCULE-8686428985	437.511	SAOWRYRIWRGEJY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138382
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-6429496978,ZINC22_27663113,CoCoCo_6329961,EMOLS-id_9388341,PC-id_17012688,TIMTEC609124	437.511	ZZKITCGBWAGDMM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138383
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	TIMTEC86753,EMOLS-id_9388373,ZINC22_27793863,PC-id_18883985,CoCoCo_6376979,MCULE-9295644906	437.511	BUICCJBRSCCSGT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138384
CCCOc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324850928	437.511	WOARIBRWMIQCQD-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138385
CCCOc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324845300	437.511	QAUOHJBPDRBPNE-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138386
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_324869128	437.511	NXZIOZGSDBUTPZ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138387
CCCOc1cccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)c1	EMOLS-id_324923405	437.511	MAECPBCDXMEHFN-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138388
CCCOc1cccc(/C=c/2sc3nc(COc4ccc(OCC)cc4)nn3c2=O)c1	EMOLS-id_324880391	437.511	ZEARCXHLXBAEAY-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138389
CCOc1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)ccc1OC	EMOLS-id_324850425	437.511	JNZSDESVIUIFGJ-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138390
CCOc1cc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)ccc1OC	EMOLS-id_324873738	437.511	PYHGYJBJMRUXCG-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138391
CCOc1cc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)ccc1OC	EMOLS-id_324875789	437.511	SGQMSBSNABKMHL-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138392
CCOc1cc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)ccc1OC	EMOLS-id_324881935	437.511	CURBIMMVPLFILC-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138393
CCOc1cc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)ccc1OC	EMOLS-id_324888066	437.511	SHNRYKQVEOVUBS-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138394
CCOc1cc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)ccc1OC	EMOLS-id_324889099	437.511	BPUQQYKBMDTLRE-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138395
CCOc1cc(ccc1OCc1cccnc1)C(=O)NNC(=O)c1sc2c(c1)CCC2	MCULE-1404866712,PC-id_39104666,EMOLS-id_44081586,CoCoCo_4775472	437.511	BPZLIKLYRHVDTH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138396
CCOc1ccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324893705	437.511	CCHBMVKYDMACFY-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138397
CCOc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324853497	437.511	XHXKJKAAQMTJOJ-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138398
CCOc1ccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1	EMOLS-id_324894208	437.511	ONKIZIIUQJDWOQ-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138399
CCOc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324849904	437.511	KMFBEGIINCNSQQ-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138400
CCOc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1OC	EMOLS-id_324872715	437.511	NWSLXYPBBQWXMB-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138401
CCOc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1OC	EMOLS-id_324874766	437.511	RBOVEKKRXHCUGO-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138402
CCOc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1OC	EMOLS-id_324884992	437.511	UXMBRHGNBHERKE-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138403
CCOc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1OCC	EMOLS-id_324868104	437.511	ZFZYACLZZPOKMP-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138404
CCOc1ccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)cc1OC	EMOLS-id_324887043	437.511	WAUALTMLINRGEZ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138405
CCOc1ccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)cc1OC	EMOLS-id_324888076	437.511	KLTHDHZVEHPTAQ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138406
CCOc1cccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)c1	EMOLS-id_324891150	437.511	ZQWLIFJIWNJQBV-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138407
CCOc1cccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)c1	EMOLS-id_324891653	437.511	RMBQAOMSKFSPCO-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138408
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(OC(C)C)c4)/c(=O)n3n2)cc1	EMOLS-id_324881415	437.511	TWBSJLFZZLRLJL-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138409
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2ccccc2C)sc2CCCc12	EMOLS-id_328247516,MCULE-8957375028	437.511	KNLZHGNBLVOCMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138410
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2ccc(C)cc2)sc2CCCc12	MCULE-7097127895,EMOLS-id_328255962	437.511	OQPGJUKFHDXMMQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138411
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-7485917657,EMOLS-id_328218495	437.511	MTTAQKZKMCMOAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138412
COc1cc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324903950	437.511	OYSAABPRHNDUBH-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138413
COc1ccc(Cc2nc3s/c(=Cc4cccc(OC(C)C)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324924429	437.511	WDWPLPMDHFTNOK-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138414
COc1ccc(C(=O)c2c(NC(=O)CSc3cccc(OC)c3)nc3n2CCC3)cc1	PC-id_75478360,MCULE-6983440182,EMOLS-id_48838250,ZINC22_95943469	437.511	FUADRGGIERYWAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138415
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2cc(C)ccc2OC)cc1	ZINC22_9301623,PC-id_41007456,CoCoCo_5124891	437.511	KTEPWDAORKWMNH-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138416
COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2cc(C)ccc2OC)cc1	ZINC22_9301625,CoCoCo_5124890,PC-id_41007458	437.511	KTEPWDAORKWMNH-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138417
COc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)cc1OC	CoCoCo_5124832,PC-id_40946148,ZINC22_9132273	437.511	NJHZGCWXGUBYHM-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138418
COc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)cc1OC	CoCoCo_5124833,PC-id_40946149,ZINC22_9132274	437.511	NJHZGCWXGUBYHM-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138419
COc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)c(OC)c1	PC-id_40946151,CoCoCo_5124835,ZINC22_9132276	437.511	ONXVMFUOBADISP-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138420
COc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc23)c(OC)c1	ZINC22_9132275,CoCoCo_5124834,PC-id_40946150	437.511	ONXVMFUOBADISP-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138421
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)CCCOc1ccc(OC)cc1	MCULE-6575689814	437.511	ONKIZIIUQJDWOQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138422
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-5563395439	437.511	ZQWLIFJIWNJQBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138423
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-2901399389	437.511	RMBQAOMSKFSPCO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138424
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4244357112	437.511	MAECPBCDXMEHFN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138425
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-9685687233	437.511	WDWPLPMDHFTNOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138426
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1ccc(cc1)OCC	MCULE-4147712692	437.511	TWBSJLFZZLRLJL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138427
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-7897861325	437.511	ZEARCXHLXBAEAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138428
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-8215128023	437.511	CCHBMVKYDMACFY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138429
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)CCOc1ccccc1	MCULE-1989249238	437.511	WOARIBRWMIQCQD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138430
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1ccc(cc1)C	MCULE-5244635527	437.511	NXZIOZGSDBUTPZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138431
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1ccccc1	MCULE-6553495695	437.511	QAUOHJBPDRBPNE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138432
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)CCCOc1ccccc1	MCULE-8358178239	437.511	XHXKJKAAQMTJOJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138433
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1ccc(cc1)CC	MCULE-3057279625	437.511	WAUALTMLINRGEZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138434
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1cc(C)ccc1C	MCULE-5527872263	437.511	UXMBRHGNBHERKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138435
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1c(C)cccc1C	MCULE-6295515127	437.511	NWSLXYPBBQWXMB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138436
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1cccc(C)c1C	MCULE-8019828581	437.511	RBOVEKKRXHCUGO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138437
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1cccc(CC)c1	MCULE-9616717659	437.511	KLTHDHZVEHPTAQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138438
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)CCOc1ccccc1	MCULE-4261697783	437.511	KMFBEGIINCNSQQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138439
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1ccc(cc1)C	MCULE-1492476798	437.511	ZFZYACLZZPOKMP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138440
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)CCCOc1ccccc1	MCULE-2198156852	437.511	JNZSDESVIUIFGJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138441
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1ccc(cc1)CC	MCULE-7864301325	437.511	SHNRYKQVEOVUBS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138442
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1cccc(C)c1C	MCULE-6479345824	437.511	SGQMSBSNABKMHL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138443
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1cc(C)ccc1C	MCULE-8381723767	437.511	CURBIMMVPLFILC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138444
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1c(C)cccc1C	MCULE-8967699010	437.511	PYHGYJBJMRUXCG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138445
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1cccc(CC)c1	MCULE-6249121396	437.511	BPUQQYKBMDTLRE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138446
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)CCc1ccc(cc1)C	MCULE-9801388554	437.511	OYSAABPRHNDUBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138447
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)NCCc1ccc(cc1)S(=O)(=O)N	PC-id_145976735	437.511	UYMJAVPMWBAECG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138448
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1cc(c2ccccc2)on1	CoCoCo_5212308,ZINC22_10232781,PC-id_41417444	437.511	SAOWRYRIWRGEJY-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138449
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1cc(c2ccccc2)on1	ZINC22_10232780,PC-id_41417443,CoCoCo_5212307	437.511	SAOWRYRIWRGEJY-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138450
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OCC)c(OCc2ccncc2)cc1	PC-id_39300522	437.511	ZBMICSBAUNTBPH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138451
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(n2c(ccc2C)C)cc1)C(=O)N	PC-id_24346700	437.511	DKAXQNNGTRVFBF-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-138452
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(c(c1)C)c1ccccc1)C)C(=O)N	PC-id_3943297	437.511	OMQVQFANJUHTEJ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-138453
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_16947595	437.511	CGXPLQFBWVMICC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138454
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(c(OC)cc1)C	PC-id_16947943	437.511	SIYXJDYEGWRURT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138455
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(OCC)cc1	PC-id_16947889	437.511	FRFXMFMTJDFLAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138456
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(OC)cc(cc1)C	PC-id_16947942	437.511	GALRTAMJVFAAQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138457
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(OCC)cccc1	PC-id_16947888	437.511	QTWDULWRXVUXJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138458
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccc(OC)cc1	PC-id_16947850	437.511	YRHHLFAMVSDENL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138459
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1cc(OC)ccc1	PC-id_16947936	437.511	DVFUXMZIJREMTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138460
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1c(OC)cccc1	PC-id_16947851	437.511	NYJDEZMKHLALGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138461
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(cccc1)C	PC-id_16948030	437.511	IGKCFOUEPRKRJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138462
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(ccc1)C	PC-id_16948031	437.511	SRRVMBYFBAHTDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138463
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(cc1)C	PC-id_16948032	437.511	GXRNQIRJXLWDPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138464
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1ccccc1	PC-id_16948006	437.511	DLOOJAWHQDIYPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138465
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)C=Cc1ccc(cc1)C	MCULE-5616132356	437.513	UKLLSXPXLCJXOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138466
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)C=Cc1ccccc1	MCULE-5064172409	437.513	JZUOOTLVSBYDDA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138467
n12nc(nc1sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O)C=Cc1ccccc1	MCULE-6378484194	437.513	DKJWXCUZSIWFSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138468
O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)/sc2nc(/C=C/c3ccccc3)nn12	EMOLS-id_45970142,ZINC22_27021644	437.513	DKJWXCUZSIWFSY-VWEQIBBSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138469
O=c1/c(=Cc2ccc(OCc3ccccc3)cc2)/sc2nc(/C=C/c3ccccc3)nn12	ZINC22_16807417	437.513	DKJWXCUZSIWFSY-HJGVJQNMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138470
O=c1n2nc(/C=C/c3ccccc3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324917258	437.513	JZUOOTLVSBYDDA-QIDKKARKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138471
C1CN(CCN1CCc1cc2c(s1)C(=O)OC2)C(=O)Cc1ccc(cc1)n1ccnn1	PC-id_89757650,SCHEMBL15196861	437.515	IVIOPFPJJICKIV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138472
c1(NC(=O)COc2cccnc2NC(=O)N(CC=C)CC=C)sc2c(CCC2)c1C#N	MCULE-9738003299,EMOLS-id_321857209	437.515	LWJFOBVKDTTZOO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-138473
c1(NC(=O)COc2cn(c(cc2=O)C)CCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_331631301,MCULE-8275672439	437.515	JPDZSJCZCXTWMW-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138474
c1(NC(=O)CNc2ccc(c(c2)n2cnnn2)OCCCC)sc2c(CCC2)c1C#N	EMOLS-id_320661158,MCULE-1982284254	437.518	IDJASRUVRHIRRK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138475
Fc1ccc(cc1)CCc1sc2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)CCC2	SCHEMBL21041321,PC-id_138670959	437.526	UFWXTNXFYIFXLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138476
Fc1ccc(cc1)CCc1sc2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)CCC2	PC-id_138670958,SCHEMBL21041320	437.526	UFWXTNXFYIFXLF-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138477
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1)C(=O)OC	PC-id_41273818	437.53	SYJHJOQJPLUCIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138478
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_41323826	437.53	IDYIJYHWFGVRDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138479
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(CCCC)cc1	PC-id_16947243	437.53	MIZYKQFLIKLMGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138480
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NC(CCc1ccccc1)C	PC-id_16947231	437.53	LIOSWZMKJIKKFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138481
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H]1Cn2cccc2[C@H]1CC(=O)c1ccccc1	PC-id_134959474	437.531	PNNLKOXJIDQMCH-PMACEKPBSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138482
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccc(cc1)c1ccccc1)C(=O)O	SCHEMBL13786759,PC-id_57791714	437.531	VNQRWROOTZIALG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138483
s1c2c(CCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_74534446	437.531	LWPBGIQHUQPKBU-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-138484
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_74534445	437.531	IFHAEFQOWYCNBZ-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-138485
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27528572	437.531	LWPBGIQHUQPKBU-MSOLQXFVSA-M	00000010100011110000000010000000000000000000000000000000	25-01-138486
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27528574	437.531	LWPBGIQHUQPKBU-ROUUACIJSA-M	00000010100011110000000010000000000000000000000000000000	25-01-138487
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27528576	437.531	LWPBGIQHUQPKBU-QZTJIDSGSA-M	00000010100011110000000010000000000000000000000000000000	25-01-138488
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27528578	437.531	LWPBGIQHUQPKBU-ZWKOTPCHSA-M	00000010100011110000000010000000000000000000000000000000	25-01-138489
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_27528542	437.531	IFHAEFQOWYCNBZ-SJORKVTESA-M	00000010100011110000000010000000000000000000000000000000	25-01-138490
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_27528545	437.531	IFHAEFQOWYCNBZ-IRXDYDNUSA-M	00000010100011110000000010000000000000000000000000000000	25-01-138491
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_27528548	437.531	IFHAEFQOWYCNBZ-IAGOWNOFSA-M	00000010100011110000000010000000000000000000000000000000	25-01-138492
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_27528551	437.531	IFHAEFQOWYCNBZ-DLBZAZTESA-M	00000010100011110000000010000000000000000000000000000000	25-01-138493
C/C(=C/c1c2CC(Cc2co1)(C)C)/[P+](c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_134309986	437.532	PTIGBJQSKNOOJG-NMWGTECJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138494
CC([C@@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)C(=O)O)C	PC-id_57791593,SCHEMBL8030873	437.533	GXQLCKRCJMSLLV-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138495
CC([C@@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)C(=O)O)C	SCHEMBL8027525,PC-id_57791710	437.533	JRZYWGMGDCJYRG-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138496
CC(C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)C(=O)O)C	PC-id_57791739,SCHEMBL8032507	437.533	GXQLCKRCJMSLLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138497
CC(C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)C(=O)O)C	SCHEMBL8037058,PC-id_57791749	437.533	JRZYWGMGDCJYRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138498
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)C(=O)O	SCHEMBL16213465,PC-id_117680156	437.533	VRTHYHQVCGMJGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138499
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C(=O)O	SCHEMBL16213464,PC-id_117680155	437.533	VRTHYHQVCGMJGI-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138500
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)sc2c1CCC2	ZINC22_408620622	437.533	PWAXUVMAIJXWDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138501
O=C(c1sc2c(n1)CN(C2)C(=O)OC(C)(C)C)NCc1ccc(cc1)S(=O)(=O)C	PC-id_144742194	437.533	CNRNKIBRSSLXRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138502
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_144742204	437.533	CIWQLQRLDLDMJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138503
c1(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_5423856,CoCoCo_4970555,ZINC22_9354795,PC-id_3411346,ChEMBL-DNDi_CHEMBLF0325-0174,SCHEMBL17453749,MCULE-2564912609	437.535	DGQHJCRWLIHTMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138504
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_5582454,PC-id_16799825,ZINC22_9714913,MCULE-1059144802,CoCoCo_5153056	437.535	GUKDCEMHKAWUME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138505
c1(NC(=O)COc2ccc(cc2)NC(=O)Cc2cccs2)sc2c(CCC2)c1C#N	EMOLS-id_323171045,MCULE-6296836439	437.535	PWXQQNNMUZHARR-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-138506
c1(NC(=O)COc2cccc(c2)NC(=O)Cc2cccs2)sc2c(CCC2)c1C#N	MCULE-1015656207,EMOLS-id_323219775	437.535	CQUFDOKPTWMJLD-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-138507
CCCCN(c1ccc(c(c1)C)/N=C
/C(=Nc2n1nc(c2C(=O)OC)C)C(=O)CC)CC	SCHEMBL13237762	437.535	JZQRTMWWPRBKRI-BZZOAKBMSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138508
COc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]Cc2cccnc2)sc2c1CCC2	PC-id_40473599,GD-id_ZINC04109040	437.535	OZGRBYCUBLOTGI-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-138509
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(SC)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_45965725,ZINC22_16742155	437.535	IHVVVNIYHGHQME-UZYLVVNOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138510
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-5241779975	437.535	IHVVVNIYHGHQME-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138511
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c3ccccc3)o2)sc2c1CCC2	PC-id_17334749,ZINC22_57316660	437.535	IMWILOKEXCYABT-ZRDIBKRKSA-N	00000010101000110000100010000000000000000000000000000000	25-01-138512
O(C(=O)c1c2n(nc1C)C(=Nc1c(cc(N(CCCC)CC)cc1)C)C(=N2)C(=O)CC)C	PC-id_59211524	437.535	JZQRTMWWPRBKRI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138513
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1oc(c2ccccc2)cc1)C(=O)N	PC-id_73382756	437.535	IMWILOKEXCYABT-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-138514
C1Cn2c(c(cn2)NC(=O)CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)N1	SCHEMBL4205740,PC-id_136409458	437.536	DTIYFCRPNZGDDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138515
Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1C(=O)N	PC-id_25673161,EMOLS-id_24138279,MCULE-6319089351,ZINC22_13016178,CoCoCo_4400111	437.536	BPFMYZSJEZLUKK-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-138516
CS(=O)(=O)c1ccc(N2CCC[S@](=O)(=NC(=O)c3cnc4n3CCC4)CC2)nc1	ZINC22_2332238774	437.536	KTORYBGVHYRHOV-GDLZYMKVSA-N	00000010100000101101100010000000000000000000000000000000	25-01-138517
CS(=O)(=O)c1ccc(N2CCC[S@@](=O)(=NC(=O)c3cnc4n3CCC4)CC2)nc1	ZINC22_2332238775	437.536	KTORYBGVHYRHOV-LJAQVGFWSA-N	00000010100000101101100010000000000000000000000000000000	25-01-138518
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)CC1OCCC1)C(=O)OCC	PC-id_55442364	437.536	FZRMSADRPYIMFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138519
Cc1csc2nc(C)c(/C=c/3sc4nc(CCCOc5ccccc5)nn4c3=O)n12	EMOLS-id_324850934	437.538	GCARTWZIYSDBIR-BOPFTXTBSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138520
Cc1csc2nc(C)c(/C=c/3sc4nc(COc5c(C)cccc5C)nn4c3=O)n12	EMOLS-id_324870152	437.538	KHHMABBHKIHNBK-PXNMLYILSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138521
Cc1csc2nc(C)c(/C=c/3sc4nc(COc5cccc(C)c5C)nn4c3=O)n12	EMOLS-id_324876298	437.538	IZQVZPSNSYIPOW-IUXPMGMMSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138522
Cc1csc2nc(C)c(/C=c/3sc4nc(COc5cc(C)ccc5C)nn4c3=O)n12	EMOLS-id_324878349	437.538	DDIJDTXFAFZIHS-IUXPMGMMSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138523
CCc1cccc(OCc2nc3s/c(=Cc4c(C)nc5scc(C)n45)/c(=O)n3n2)c1	EMOLS-id_324889608	437.538	FYHOKKXFWJJDED-MFOYZWKCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138524
CCc1ccc(OCc2nc3s/c(=Cc4c(C)nc5scc(C)n45)/c(=O)n3n2)cc1	EMOLS-id_324884495	437.538	YSCAZPOGZPVPQW-MFOYZWKCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138525
C=CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL6377619,BindingDB_PC-id_59508304,PC-id_59508304	437.538	IVISIEPSXKMVIN-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-138526
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)CC1CC1	SCHEMBL6375991,PC-id_59508264	437.538	OHAMCMIHUHIVHW-HNNXBMFYSA-N	00100010100010101001000010000000000000000000000000000000	25-01-138527
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCCOc1ccccc1	MCULE-2126418509	437.538	GCARTWZIYSDBIR-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138528
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1ccc(cc1)CC	MCULE-6466833730	437.538	YSCAZPOGZPVPQW-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138529
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1cccc(C)c1C	MCULE-3446533105	437.538	IZQVZPSNSYIPOW-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138530
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1cc(C)ccc1C	MCULE-4439781748	437.538	DDIJDTXFAFZIHS-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138531
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1c(C)cccc1C	MCULE-9066289750	437.538	KHHMABBHKIHNBK-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138532
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1cccc(CC)c1	MCULE-8458822779	437.538	FYHOKKXFWJJDED-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-138533
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)N1CCN(C(C1)C)CC1CC1	PC-id_66739180,BindingDB_PC-id_66739180,SCHEMBL598507	437.538	KMDDWVHFJKOWJV-UHFFFAOYSA-N	00100010100010101001000010000000000000000000000000000000	25-01-138534
s1c2CCCc2c(c1NC(=O)CSC1NC(C(C(=O)N1)C#N)c1ccccc1)C#N	PC-id_74726795	437.538	OMOVQRVHUNIREN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138535
c1(NC(=O)Cc2csc(Nc3ccc(cc3)Cn3cncn3)n2)sc2c(CCC2)n1	EMOLS-id_323433881,MCULE-3910812464	437.541	SVKQOOPVQNYQOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138536
N#Cc1c(NC(=O)CSc2nnc([nH]2)N/N=C(/c2ccccc2)C)sc2c1CCC2	PC-id_28691492,SPECS-id_AN-153/I184379	437.541	KDNULMYDCHVGKM-WYMPLXKRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138537
N#Cc1c(NC(=O)CSc2nnc([nH]2)NN=C(c2ccccc2)C)sc2c1CCC2	PC-id_73384627,MCULE-1078956358	437.541	KDNULMYDCHVGKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138538
O=C(Nc1ccccc1)C1C(NNC1NN=C1C(=Nn2c1nnc2C(C)C)C(C)(C)C)C	PC-id_72243413	437.541	SJEBPPVDJVDOPA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138539
s1c2CCCc2c(c1NC(=O)CSc1nc([nH]n1)N/N=C(c1ccccc1)/C)C#N	PC-id_17369140	437.541	KDNULMYDCHVGKM-MSXFZWOLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138540
c1(NC(=O)CC(c2ccccc2)c2ccccc2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_5531013,CoCoCo_5065655,MCULE-7409721944,PC-id_18562026,ZINC22_9517991	437.554	VYBRTJXUSPRVJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138541
c1(NC(=O)COc2ccc(cc2)NC(=O)CC2CCCCC2)sc2c(CCC2)c1C#N	MCULE-3915296660,EMOLS-id_323233310	437.554	TZRZPZGNFKMPPP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-138542
c1(NC(=O)COc2cccc(c2)NC(=O)CC2CCCCC2)sc2c(CCC2)c1C#N	MCULE-7314361389,EMOLS-id_323196822	437.554	DNVMYZKNKDMHAW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-138543
c1(NC(=O)COc2cn(c(cc2=O)C)CCC2=CCCCC2)sc2CCCc2c1C#N	EMOLS-id_331630533,MCULE-2019976616	437.554	JUZVQYYMYGPQIE-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-138544
CC(C)COC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1C	EMOLS-id_328224117,MCULE-2927610901	437.554	ZRLVTRGBNIJXNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138545
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCCCN1C1C(=O)CSC1=O	EMOLS-id_328221819,MCULE-5708231999	437.554	UGMJMNYBNWTCOL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-138546
s1c2CCCc2cc1C(=O)NNC(=O)CCc1oc(c2ccc(CC(C)C)cc2)cn1	PC-id_24608321	437.554	URMUKILYMYEYAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138547
CCc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324831985	437.556	IDCAGCBIIOMHMM-ULJHMMPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138548
CC(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324822519	437.556	QLFVMFVRNVMEJC-QJOMJCCJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138549
COCCNC(=O)CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_45353881,EMOLS-id_18853647,MCULE-4947544529	437.556	XVMWOBGFFRNUPU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138550
COCCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	PC-id_31043635,CoCoCo_4231571,ZINC22_23367918,CoCoCo_4231569	437.556	XVMWOBGFFRNUPU-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138551
COCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	PC-id_31043641,ZINC22_23367922,CoCoCo_4231570,CoCoCo_4231568	437.556	XVMWOBGFFRNUPU-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138552
n12c(=O)c(=Cc3ccc(C(C)C)cc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8494385149	437.556	QLFVMFVRNVMEJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138553
n12nc(nc1sc(=Cc1ccc(cc1)CC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-7927606823	437.556	IDCAGCBIIOMHMM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138554
Cc1nn(c2ccccc2)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3851273,EMOLS-id_3689156,MCULE-4424851470,ZINC22_9683442,PC-id_16338439,CoCoCo_3851272	437.558	GWBLAUJLOLQQQU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138555
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(Cc1cnn(c1)Cc1ccccc1)C	PC-id_16335467,EMOLS-id_11775321,MCULE-4505851796	437.558	GCVQNCIPASOKAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138556
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(Cc2ccc(C#N)cc2)CC1	CoCoCo_4229403,ZINC22_22804246,CoCoCo_4229404,PC-id_30638775	437.558	XVBQRJGOSISYCJ-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138557
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC22_22926192,PC-id_30733680,CoCoCo_4229406,CoCoCo_4229405	437.558	XVBQRJGOSISYCJ-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138558
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1cnn(Cc2ccccc2)c1	CoCoCo_4245074,CoCoCo_4245073,ZINC22_9257546,PC-id_40988506	437.558	GCVQNCIPASOKAH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138559
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1cnn(Cc2ccccc2)c1	PC-id_40988509,CoCoCo_4245076,ZINC22_9257549,CoCoCo_4245075	437.558	GCVQNCIPASOKAH-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138560
N#Cc1ccc(cc1)CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_16372021,MCULE-8323947863	437.558	XVBQRJGOSISYCJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138561
O=C(N1CC(CCC1)CCC(=O)N1CCN(CC1)c1[nH+]cccc1)c1n[nH]c2c1CCC2	PC-id_74811808	437.558	JKSXGHDDCPXLHZ-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-138562
O=C(N1C[C@@H](CCC1)CCC(=O)N1CCN(CC1)c1[nH+]cccc1)c1n[nH]c2c1CCC2	PC-id_42525599	437.558	JKSXGHDDCPXLHZ-SFHVURJKSA-O	00000010100010101001100010000000000000000000000000000000	25-01-138563
O=C(N1C[C@H](CCC1)CCC(=O)N1CCN(CC1)c1[nH+]cccc1)c1n[nH]c2c1CCC2	PC-id_42525601	437.558	JKSXGHDDCPXLHZ-GOSISDBHSA-O	00000010100010101001100010000000000000000000000000000000	25-01-138564
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)C(=O)Nc1nc(ccc1)C)C#N	PC-id_56359049	437.558	LMDXXVZWTARWPT-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-138565
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)Nc1nccc(c1)C)C#N	PC-id_56525125	437.558	QUEJVXHRUAWHCP-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-138566
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(NC(=O)Nc2ccccc2)CC1)C#N	PC-id_56526030	437.558	GQSDWUMJNCSXIL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-138567
s1c2c(CCC2)c(c1NC(=O)C(N1CCCN(CC1)c1ccc(cc1)C#N)C)C(=O)N	PC-id_55850333	437.558	FZDHPNTXQUDNOG-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-138568
c1(NC(=O)CS(=O)CC(=O)Nc2nnc(C(C)C)s2)sc2c(CCC2)c1C#N	MCULE-3912306501,EMOLS-id_320643829	437.559	BIHMDFCVIADOBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138569
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1[C@@H]1CCS(=O)(=O)C1	CoCoCo_4190102,PC-id_25719389,ZINC22_13127036	437.559	ZWHJNTYNIVLHCZ-SNVBAGLBSA-N	00000010100000000001100010000000000000000000000000000000	25-01-138570
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1[C@H]1CCS(=O)(=O)C1	PC-id_41213820,ZINC22_9788882,CoCoCo_4190101	437.559	ZWHJNTYNIVLHCZ-JTQLQIEISA-N	00000010100000000001100010000000000000000000000000000000	25-01-138571
N#Cc1c(NC(=O)CSc2nnc(n2C)C2CCS(=O)(=O)C2)sc2c1CCC2	MCULE-3972047872,PC-id_16333110,EMOLS-id_11771681	437.559	ZWHJNTYNIVLHCZ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-138572
c1(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-5468641600,EMOLS-id_3110873,TIMTEC350868,PC-id_4105509,SPECS-id_AK-968/11841687	437.574	ODAXARQMSKBSIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138573
CCOC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCC2	ZINC22_408575759	437.574	QJURNVIPWOMIPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138574
CCOC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2	PC-id_1632743,CoCoCo_3268309,ZINC22_1895640	437.574	ODAXARQMSKBSIX-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138575
CCOC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2	PC-id_1632744,ZINC22_1895642,CoCoCo_3268310	437.574	ODAXARQMSKBSIX-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138576
COC(=O)c1c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)sc2c1CCC2	ZINC22_408576470	437.574	VSTASKCESWMSHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138577
c1(NC(=O)CS(=O)C2CCN(CC2)C(=O)OC(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320679533,MCULE-6895911606	437.576	SOHOZXZMVZXXJV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-138578
COc1cc(NC2CCc3c2cc(s3)Cl)c(cc1Br)Br	PC-id_103411527	437.577	XDAXOOFBMSWPHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138579
c1(c2CCCc2sc1NC(=S)Nc1ccccc1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2763662,MCULE-6295800602,ZINC22_4062389,PC-id_3465796,TIMTEC154187,CoCoCo_6728371	437.578	FRROLMPZPWDZMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138580
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCCCN1CCN(CC1)c1ccccn1	PC-id_101676823	437.578	VYMBSKTXSNMZLY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138581
O=C(N1C(c2[nH]nc(NC(=O)c3ccc(CC(C)C)cc3)c2C1)(C)C)C1CCN(CC1)C	PC-id_46228648	437.578	CHLFXEUGBCLCJA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138582
s1c2CCCc2c(c1NC(=O)CCN(Cc1sccc1)c1ccc(OC)cc1)C#N	PC-id_56526917	437.578	JKRBBACVYXQCTM-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-138583
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C(=O)NCc1ccccc1)C#N	PC-id_25507222	437.578	UXOOOJBQYSDSCT-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-138584
Cc1nc(cs1)c1ccc(s1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	PC-id_89236585,SCHEMBL14055039	437.579	WFZKWSRUYDPEIX-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-138585
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)c1sccc1	PC-id_2594203	437.579	PHFBBGSNANYNJK-UHFFFAOYSA-O	00000010100110000001000010000000000000000000000000000000	25-01-138586
s1c2CCCc2c(c1NC(=O)CCSc1n(c(nn1)c1cc(ccc1)C)CC)C#N	PC-id_78830823	437.581	SKYFDYBFGQSNHE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138587
S(=O)(=O)(/C(=C/S(=O)(=O)C(C)(C)C)/c1n(cc2c1CS(=O)(=O)C2)C)C(C)(C)C	PC-id_10343036	437.594	FJETVIKZVMIYNN-SDNWHVSQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138588
S(=O)(=O)(C(=CS(=O)(=O)C(C)(C)C)c1n(cc2c1CS(=O)(=O)C2)C)C(C)(C)C	PC-id_85115904	437.594	FJETVIKZVMIYNN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138589
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC2CCCCC2)nn1)C(=O)N	PC-id_45711541	437.603	JHMUJVXKZAWBMR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138590
COc1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc(c1O)[N+](=O)[O-]	EMOLS-id_324912645	437.642	WHXCCFBABPRGKB-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138591
n12c(=O)c(=Cc3cc(c(O)c(N(=O)=O)c3)OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-1653963362	437.642	WHXCCFBABPRGKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138592
FC(F)(F)c1ccccc1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324885510	437.823	SQWYXWZDHARGNW-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138593
FC(F)(F)c1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324843771	437.823	FCUBANVESNUBGD-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138594
FC(F)(F)c1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324884998	437.823	BJATXKACYVPFKW-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138595
FC(F)(F)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324843259	437.823	SHPXEOIVAATILW-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138596
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1ccccc1Cl	MCULE-1046174682	437.823	BJATXKACYVPFKW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138597
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1ccccc1Cl	MCULE-2835476097	437.823	SQWYXWZDHARGNW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138598
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1ccc(Cl)cc1	MCULE-2843239205	437.823	FCUBANVESNUBGD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138599
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1ccc(Cl)cc1	MCULE-3745251642	437.823	SHPXEOIVAATILW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138600
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2883272421,EMOLS-id_334390802	437.897	ZYDUZCLBMDWLAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138620
Clc1c(N2CCN(CC2)C(=O)O)ccc(OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	PC-id_69481194,SCHEMBL5541554	437.834	AJTIYAPLJDVWFD-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138601
Clc1c(N2CCN(CC2)C(=O)O)ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	SCHEMBL5541560,PC-id_69481197	437.834	AJTIYAPLJDVWFD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138602
Clc1cc([N+](=O)[O-])c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_85481031	437.854	ONYGTNFKOCHJEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138603
Clc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_31116201	437.854	ONYGTNFKOCHJEZ-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138604
Clc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_31116203	437.854	ONYGTNFKOCHJEZ-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138605
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1C)Cl)C(=O)OC	EMOLS-id_1862495,PC-id_2790018,STOCK2S-64716,MCULE-7940466834	437.894	QNVGNIFIJFWFSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138606
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(c(C)c1)Cl)C(=O)OC	STOCK2S-61518,PC-id_2789272,MCULE-5837501503,EMOLS-id_1859357	437.894	XCQDWVDGZYWDLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138607
CCOC(=O)c1c(NC(=O)COC(=O)COc2ccccc2Cl)sc2c1CCC2	ZINC22_10361839,EMOLS-id_33328724,PC-id_24358270,MCULE-6005385423	437.894	FHHMZHQWANRFQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138608
Clc1ccc(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_4653867	437.894	XQRRGHZPHFHKBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138609
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_1714313,PC-id_1570513,ZINC22_1779982	437.894	QNVGNIFIJFWFSZ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138610
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1[C@H](C(=O)OC)CC2	ZINC22_946446,PC-id_1185368,CoCoCo_1714314	437.894	QNVGNIFIJFWFSZ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138611
COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_1708520,PC-id_1553458,ZINC22_1744146	437.894	XCQDWVDGZYWDLH-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138612
COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744149,PC-id_1553462,CoCoCo_1708521	437.894	XCQDWVDGZYWDLH-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138613
CCOC(=O)c1cc(C(=O)c2ccccc2)n2c(=O)/c(=C/c3ccc(Cl)cc3)/sc12	ZINC22_33422057	437.895	BMQAALMMSSPMJK-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138614
CCOC(=O)c1cc(n2c1sc(=Cc1ccc(cc1)Cl)c2=O)C(=O)c1ccccc1	EMOLS-id_26190000,MCULE-1425095815	437.895	BMQAALMMSSPMJK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138615
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387485,MCULE-3631737841	437.897	AQVFCLUZXLTUHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138616
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385693,MCULE-3002838906	437.897	ARXBOYCRDSAKQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138617
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2910533742,EMOLS-id_334392851	437.897	GBTKDZQWPPQSMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138618
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388764,MCULE-6157678261	437.897	GUZPRDIJZVTRNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138619
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cnc(c(c1)Cl)OC1COCC1	PC-id_92084156	437.897	VJXXOQQNMHHJEI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138621
Clc1cc(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(OC)cc1N	PC-id_75859996	437.897	WPFBZZFLPVSFQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138622
Clc1cc(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(OC)cc1N	PC-id_52500182	437.897	WPFBZZFLPVSFQA-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138623
Clc1cc(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(OC)cc1N	PC-id_52500183	437.897	WPFBZZFLPVSFQA-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138624
Clc1ccc(C(=O)NC(C(=O)N(Cc2n3CCCc3nn2)C)Cc2ccccc2)cc1	PC-id_75914840	437.922	JZEFMTZANHUYHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138625
Clc1ccc(C(=O)N[C@@H](C(=O)N(Cc2n3CCCc3nn2)C)Cc2ccccc2)cc1	PC-id_52743364	437.922	JZEFMTZANHUYHT-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138626
Clc1ccc(C(=O)N[C@H](C(=O)N(Cc2n3CCCc3nn2)C)Cc2ccccc2)cc1	PC-id_52743365	437.922	JZEFMTZANHUYHT-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-138627
Clc1n2N=C(C(CNC(=O)C(Oc3c(cc(cc3)C)C)CC)C)Cc2c(c1[N+]#[C-])C#N	PC-id_54402002	437.922	GYEQQHHDKARVEP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138628
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1cccs1	MCULE-1422756593	437.922	JDZGVIQHGXULCY-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-138629
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1cccs1	MCULE-2464728561	437.922	OPNYFQXTGKOHOA-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-138630
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1cccs1	MCULE-8691722150	437.922	GUSSOJPQASKZAN-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-138631
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)S(=O)(=O)c1ccc(Cl)s1	MCULE-1578241132,EMOLS-id_207863270	437.924	ASPAWLNRPYXRMS-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-138632
COC(=O)c1c(NC(=O)/C(=C/c2ccccc2Cl)/c2ccccc2)sc2c1CCC2	ZINC22_408570054	437.938	YGHVSZDNFLSWHJ-NBVRZTHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138633
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-4849272101,PC-id_73468639	437.942	SXDARJJMCTZYIC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138634
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_73468642,MCULE-7254255234	437.942	XTDKGUPYEMAFNQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138635
CCCCOc1ccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_27022607	437.942	LDWNTIBSOSDPIS-QOSRDPBLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138636
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1	ZINC22_16734952,EMOLS-id_45964737	437.942	LDWNTIBSOSDPIS-KOAZRBSPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138637
Clc1ccc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)cc1	PC-id_18883972	437.942	SXDARJJMCTZYIC-DHZHZOJOSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138638
Clc1c(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)cccc1	PC-id_18883975	437.942	XTDKGUPYEMAFNQ-ZHACJKMWSA-N	00000010100000111000000010000000000000000000000000000000	25-01-138639
n12nc(nc1sc(=Cc1ccc(cc1)OCCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-3148453196	437.942	LDWNTIBSOSDPIS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138640
n12nc(nc1sc(=Cc1ccccc1OCCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-5593826310	437.942	OWSBGJCOFQWIIL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138641
C1CCC(CC1)NC(=O)C1CCc2nnc(n12)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134797457	437.944	CHRFXDMCKWLKNZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138642
Clc1c(S(=O)(=O)N2CC(CCC2)C)cc(cc1)C(=O)NCc1n2CCCc2nn1	PC-id_75867021	437.944	ARRMYIMJVFOXPO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138643
Clc1c(S(=O)(=O)N2CCCCCC2)cc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_52547284	437.944	OKGVJVLMUKXJSF-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-138644
Clc1c(S(=O)(=O)N2C[C@@H](CCC2)C)cc(cc1)C(=O)NCc1n2CCCc2nn1	PC-id_52550839	437.944	ARRMYIMJVFOXPO-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138645
Clc1c(S(=O)(=O)N2C[C@H](CCC2)C)cc(cc1)C(=O)NCc1n2CCCc2nn1	PC-id_52550840	437.944	ARRMYIMJVFOXPO-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138646
Clc1ccc(cc1)C1(CCCC1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109410	437.962	IGADAERXVYTUJF-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-138647
C1c2c(CC1)sc(c2C#N)NC(=O)c1cc(ccc1Cl)S(=O)(=O)N(CC)CC	BAS-01257547,MCULE-7266657906,ZINC22_854136,CoCoCo_184014,PC-id_1117937,DB06970,PD005731,BindingDB-id_154656,TIMTEC324066,CHEMBL329363,BindingDB_PC-id_1117937	437.963	MZCDQILVXXIMEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138648
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(C)Nc2sc3c(c2C#N)CCC3)c1	PC-id_44324537,CHEMBL91682,BindingDB_PC-id_44324537	438.006	YGHIZOURQQVFII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138649
CC(CO)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278686	438.056	GIGUHBLRFKMKIZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-138650
CC1CCc2c1c(Br)nn2Cc1ccc(c(Br)c1)C(F)(F)F	MCULE-2871561317,EMOLS-id_330970352	438.08	PIJTYEWQSRCBIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138651
CC1CCc2c1c(Br)nn2Cc1ccc(cc1Br)C(F)(F)F	MCULE-7605631054,EMOLS-id_330967807	438.08	YQOCPUOWRQUNOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138652
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(Br)c12	EMOLS-id_331017900,MCULE-9391635378	438.08	GYYGKARCVQOABH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138653
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(Br)c12	EMOLS-id_331015340,MCULE-6804941233	438.08	GBFUBQZLRAKJKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138654
C1C2=CN(N=C2CN1C(=O)C(CO)C3=C(C=CC=N3)F)SC4=CN(N=C4)CC(F)F	PC-id_164872097	438.109	KDPGQLHNOWEHEJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138655
C1C2=CN(N=C2CN1C(=O)C(CO)C3=C(C=CC=N3)F)SC4=NN(C=C4)CC(F)F	PC-id_164871994	438.109	JQLWWFICCJXRNP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138656
C1CC2=NN(C(=O)N2C1C(=O)N3C[C@H]([C@H](C3)F)F)CC4=C(C(OC=C4)C(F)(F)F)F	PC-id_153991842	438.113	AZFMEJGJBACDHB-QLHKPRNWSA-N	00000010100011000001000010000000000000000000000000000000	25-01-138657
C[C@@H](C(F)(F)F)NC(C(=O)C1=CC(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155038426	438.132	HNKCMSTXKZEYSB-IHBJSSOOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138658
C1C2=C(CN1S(=O)(=O)CC3=CC=CC=C3)NN=C2C(CC(=O)C4=CC=CC=C4)C(=O)N	PC-id_153863905	438.136	MLWYLQRZGOCFSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138659
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4Cl	PC-id_160251429	438.146	FTVAFZKUZXFBBU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138660
C1CC1S(=O)(=O)n1c2c(CN(C2)CC2C[C@@H](C(OC2)c2c(ccc(c2)F)F)N)cn1	PC-id_163758175	438.154	LVWQOTGZPWZSFB-IZOWMSFQSA-N	00100010100010110001100010000000000000000000000000000000	25-01-138661
c1(c2CCCc2sc1NC(=O)C(Cl)(Cl)Cl)C(=O)Nc1ccccc1Cl	PC-id_1370045,EMOLS-id_2110215,CoCoCo_707186,ZINC22_1216596,MCULE-4747085146	438.156	VTMKILNKRGEQRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138662
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(Br)cc1	PC-id_60682783	438.158	XABIWDNRAXKTDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138663
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)ccc(Br)c1	PC-id_61072807	438.158	VQASFFZKVOWUSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138664
CC(c1cccc(c1F)C(F)(F)F)n1nc2CCC(C)c2c1I	MCULE-2301722056,EMOLS-id_330964414	438.202	GURKBFHGYXLXSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138665
CC(c1cc(ccc1F)C(F)(F)F)n1nc2CCC(C)c2c1I	MCULE-6789312255,EMOLS-id_330964158	438.202	SHYLHEKSDRMXBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138666
CC(c1ccc(cc1F)C(F)(F)F)n1nc2CCC(C)c2c1I	MCULE-8835964600,EMOLS-id_330961852	438.202	MDAPOOJZEJCLKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138667
CC(c1ccc(c(F)c1)C(F)(F)F)n1nc2CCC(C)c2c1I	MCULE-8796732926,EMOLS-id_330961596	438.202	RIEJSAKUUUBYLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138668
CC(c1ccc(F)c(c1)C(F)(F)F)n1nc2CCC(C)c2c1I	EMOLS-id_330963902,MCULE-8411393936	438.202	WQGUNKHZPMCIPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138669
CC(c1ccc(F)cc1C(F)(F)F)n1nc2CCC(C)c2c1I	EMOLS-id_330965424,MCULE-9697712854	438.202	CSJQCEIJGTZCOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138670
CC(c1cc(F)cc(c1)C(F)(F)F)n1nc2CCC(C)c2c1I	EMOLS-id_330964670,MCULE-1455640202	438.202	PUFXCXOHPXAPQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138671
CC(c1cc(F)ccc1C(F)(F)F)n1nc2CCC(C)c2c1I	EMOLS-id_330965680,MCULE-4171221269	438.202	JLLNERQZBQIDAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138672
CC(c1c(F)cccc1C(F)(F)F)n1nc2CCC(C)c2c1I	EMOLS-id_330965168,MCULE-7204616816	438.202	FWGWAZYRLONOMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138673
Brc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1C)C(=O)c1ccc(F)cc1	SCHEMBL11044591,PC-id_54511210	438.244	YJGGJUAKNUWLEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138674
CCC(C(=O)N(C)Cc1nn(C)c(Cl)c1Cl)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867529,TIMTEC482987,PC-id_19591013,MCULE-6846201954	438.275	UOIQVHRMRLOCSI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138675
CC[C@@H](C(=O)N(C)Cc1nn(C)c(Cl)c1Cl)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092581,ZINC22_20607700	438.275	UOIQVHRMRLOCSI-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-138676
CC[C@H](C(=O)N(C)Cc1nn(C)c(Cl)c1Cl)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607701,PC-id_29092582	438.275	UOIQVHRMRLOCSI-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138677
Brc1cnc(N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCC2)nc1	PC-id_68549442,SCHEMBL3206129	438.279	BRXGQUUFTIENKR-UHFFFAOYSA-N	00000010100000100101100010000000000000000000000000000000	25-01-138678
Brc1cc(c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1)C=O	PC-id_24363031	438.292	KNABSFONFAFQFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138680
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_45679372	438.292	ZTOFJFYCXROGAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138681
Brc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_16539783	438.292	TWVZKSPCEPKFBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138682
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cccc(Br)c1)C(=O)OC	PC-id_19172184,MCULE-4283944665	438.292	YTGTVLXRRDBWEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138683
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccccc1Br)C(=O)OC	BAS-01293168,STOCK2S-63581,Chemmine_7668,SPECS-id_AF-399/13428011,MCULE-9665803284,PC-id_2787420,ChEMBL-DNDi_CHEMBL5958682,EMOLS-id_1132786	438.292	CJYHZMKQISGERE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138684
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1)Br)C(=O)OC	Chemmine_6897,MCULE-5149837553,EMOLS-id_1088840,SPECS-id_AF-399/13428010,BAS-01293167,STOCK2S-61466,ChEMBL-DNDi_CHEMBL5973928,PC-id_2787419	438.292	PBAGIEJNEFCCHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138685
COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1051218,CoCoCo_187634,ZINC22_729906	438.292	PBAGIEJNEFCCHB-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138686
COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_2251523,ZINC22_2904036,CoCoCo_187633	438.292	PBAGIEJNEFCCHB-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138687
COC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1[C@H](C(=O)OC)CC2	ZINC22_729908,CoCoCo_187636,PC-id_1051219	438.292	CJYHZMKQISGERE-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138688
COC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_729909,PC-id_1051220,CoCoCo_187635	438.292	CJYHZMKQISGERE-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-138689
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(N)cc1	PC-id_27346344	438.296	ZELHZNJZPPNVGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138690
c1(N(=O)=O)nn(c(C)c1Br)CCCC(=O)Nc1sc2c(CCC2)c1C#N	CHEMBL1540282,ChEMBL-DNDi_CHEMBL1540282,PC-id_4080132,MCULE-4285631000,EMOLS-id_15972612	438.299	PILYTJHXLMHVRF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138691
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OCCC	PC-id_17342701	438.335	JCJZQARPNKGZSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138692
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OC(C)C	PC-id_17355201	438.335	AODMAZGLSRNUJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138693
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OCC	PC-id_17073756	438.335	FZIQINIYQJOLFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138694
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OC)c(c1)C	PC-id_4240796,CoCoCo_6395050	438.335	MNBSRBQTVUOZKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138695
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCC)cc1	PC-id_17352886	438.335	GMKFRMBYMDRVSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138696
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OC(C)C)cc1	PC-id_17051461	438.335	LVJLIUQZISMQES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138697
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCC)cc1	PC-id_17351412	438.335	FFEPZDVIVUXFMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138698
c1(NC(=O)COc2ccc(cc2Br)CC)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL7599250,ZINC22_2135812,TIMTEC454716,SPECS-id_AN-153/I187471,CoCoCo_946546,PC-id_1791001,SPECS-id_AT-084/J168144,EMOLS-id_1999458,MCULE-1461249667,SPECS-id_AN-329/41609891	438.335	SOYJEIRZDYTWHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138699
c1(NC(=O)COc2ccc(cc2Br)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1857579,ChEMBL-DNDi_CHEMBL2279-5087,MCULE-5432443128,SPECS-id_AF-399/12447273,PC-id_1051173,ZINC22_729801,CoCoCo_691998	438.335	GKNWYRMNPKAHPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138700
c1(NC(=O)COc2ccc(cc2CC)Br)sc2c(CCC2)c1C(=O)OC	PC-id_1701841,MCULE-1950881335	438.335	UOLGPIXKTYNFCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138701
c1(NC(=O)COc2ccc(c(C)c2)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_1049147,EMOLS-id_1309640,MCULE-2413760414,ZINC22_726176,ChEMBL-DNDi_CHEMBL2595-1214,CoCoCo_169776,BAS-01120188,SPECS-id_AE-641/12845471	438.335	QBFFFKNVBXVXDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138702
c1(NC(=O)COc2c(C)cc(cc2C)Br)sc2c(CCC2)c1C(=O)OC	MCULE-4234827695,CoCoCo_6461026,EMOLS-id_8879542,ZINC22_1930477,PC-id_1656759	438.335	HDWMRWQXHKFUIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138703
CCOC(=O)c1c(NCC(=O)c2ccc(c(c2)Br)OC)sc2c1CCC2	PC-id_110826014	438.335	ZSJQCASDPSYOTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138704
c1(c2CCCc2sc1NC(=O)CNCCO)C(=O)Nc1ccc(cc1)Br	EMOLS-id_1998051,ChEMBL-DNDi_CHEMBL7016027,MCULE-5769360065,ZINC22_3003725,CoCoCo_869072,PC-id_2300016	438.339	OMMHCCDLWPOHBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138705
c1(NC(=O)c2ccc(nc2C)c2ccc(cc2)Br)sc2c(CCC2)c1C#N	EMOLS-id_322861543,MCULE-6893454581	438.34	NRQQCRAPEYAJSF-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-138706
C1Cc2c(C1)sc(c2C(=O)Nc1ccccc1OC(F)(F)F)NC(=O)C(F)(F)F	PC-id_137653190	438.344	KMARXDDEOZBQRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138707
Clc1ccc(OCCCc2nc3s/c(=Cc4ccsc4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324918790	438.351	SJQSHUJWGPZFRH-NVNXTCNLSA-N	00000000100100110001000010000000000000000000000000000000	25-01-138708
n12nc(nc1sc(=Cc1ccsc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6090593179	438.351	SJQSHUJWGPZFRH-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-138709
Brc1c([C@@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	GD-id_ZINC09253706,PC-id_40986736	438.359	GBPCYMUXKUZRLV-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-138710
Brc1c([C@H]([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	GD-id_ZINC09253710,PC-id_40986740	438.359	GBPCYMUXKUZRLV-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-138711
Brc1c(C([NH2+]CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cccc1	PC-id_74731288	438.359	GBPCYMUXKUZRLV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-138712
Brc1ccccc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110092	438.382	VYNYYSDYBUHIKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138713
FC(F)(F)c1ccc(C(=O)C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69483093,SCHEMBL5548129	438.4	PKJUCCCUOCQJQI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138714
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)N=Cc1ccc(cc1)C(F)(F)F	SCHEMBL1047695,PC-id_87670840	438.404	PBHHVJAUXOFMRE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138715
FC(F)(F)c1ccc(/C=N/N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081107	438.404	PBHHVJAUXOFMRE-AUEPDCJTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138716
FC(F)(F)c1ccc(/C=N/N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_46180839,SCHEMBL1047694	438.404	PBHHVJAUXOFMRE-TXRNYMQSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138717
FC(F)(F)c1ccc(C=NN2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69046755,SCHEMBL4443407	438.404	PBHHVJAUXOFMRE-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138718
FC(F)(F)c1ccc(C=NN2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL1047696,PC-id_66887961	438.404	PBHHVJAUXOFMRE-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138719
[O-][N+](=O)c1nc2n(c1)C[C@@](O2)(C)CN1CCN(CC1)/N=C/c1ccc(cc1)C(F)(F)F	SCHEMBL4443400	438.404	PBHHVJAUXOFMRE-ZICLHRSZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138720
s1c2c(CCC2)c(c1NC(NC(=O)OCC)(C(F)(F)F)C(=O)OCC)C(=O)OC	PC-id_4219139	438.419	LZQQHAOPRSUSHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138721
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCC2	PC-id_5978998,CoCoCo_2931244,ZINC22_9124787	438.42	BLUMECJRMJXFJP-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138722
O=C(/C=Cc1cccc(c1)C(F)(F)F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2931245	438.42	BLUMECJRMJXFJP-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138723
O=C(C=Cc1cccc(c1)C(F)(F)F)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_3988391,EMOLS-id_26036512,MCULE-8429365290	438.42	BLUMECJRMJXFJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138724
Cc1c(C(=O)C(=O)NC23CC(C2)(C3)C#N)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	BindingDB-id_799415,SCHEMBL19920709,PC-id_134302990	438.427	HOLWVMYHUMMPKG-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-138725
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)CC(C)(C)C	PC-id_138705346,SCHEMBL21081508	438.443	FKWDXYKYFDVTAD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138726
O=C(O)C(=O)O.s1c2c(c(c1NC(=O)CCNCc1occc1)C(=O)OC)CCC2	CHEMBL1337901	438.452	ROTXDSKHGDOYEC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-138727
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C(C)/C(=N/O)/C(=O)OCC	PC-id_135554275	438.455	RKNJWCCEZXMLRC-GJEKVFILSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138728
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C(=C(N=O)/C(=O)OCC)/C)C(=O)OCC	PC-id_19660867	438.455	AKJSAXOCHMZMNI-LCYFTJDESA-N	00000010100000000000000010000000000000000000000000000000	25-01-138729
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C(N=O)C(=O)OCC)C)C(=O)OCC	PC-id_73635316	438.455	AKJSAXOCHMZMNI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138730
COc1cc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324909570	438.456	OVTNXQFXWJFIFS-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138731
COc1ccccc1NC(=O)COc1ccc(/C=c/2sc3ncnn3c2=O)cc1OC	PC-id_117588505,ZINC22_256055493	438.456	IRTRJQQEHUDVEV-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138732
COc1ccc(CCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324891656	438.456	BPEDDMTVRIYDJW-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138733
COc1ccc(CCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324892173	438.456	NYAPJHOKBROLIQ-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138734
COc1ccc(CCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324895232	438.456	DEYBIQLHFXCGMS-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138735
COc1cccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2OC)c1	PC-id_117588499,ZINC22_256055275	438.456	AHMLCGQTPYWXMA-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138736
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(Br)cc1C(=O)O	MCULE-8783405757,EMOLS-id_328216697	439.302	DQSYHXNTWQOPNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139001
COc1ccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2OC)cc1	PC-id_117588493,ZINC22_256055511	438.456	JJPJDLXOPIAKEV-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138737
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(cc4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324888079	438.456	JDVRJSMJTIUVHT-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-138738
COc1ccc(OCCCc2nc3s/c(=Cc4ccccc4[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324891655	438.456	FRKXTZKVCLTRPL-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-138739
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324892676	438.456	KQRHTWDHIXAYQD-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-138740
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-1402152504	438.456	BPEDDMTVRIYDJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138741
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3306858745	438.456	NYAPJHOKBROLIQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138742
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-7262713457	438.456	DEYBIQLHFXCGMS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138743
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCCOc1ccc(OC)cc1	MCULE-4356835147	438.456	KQRHTWDHIXAYQD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138744
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCCOc1ccc(OC)cc1	MCULE-5222923112	438.456	JDVRJSMJTIUVHT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138745
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCCOc1ccc(OC)cc1	MCULE-5301575873	438.456	FRKXTZKVCLTRPL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138746
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccc(cc1)OC)c2=O	MCULE-5376211825	438.456	JJPJDLXOPIAKEV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138747
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccccc1OC)c2=O	MCULE-8090386169	438.456	IRTRJQQEHUDVEV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138748
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1cccc(OC)c1)c2=O	MCULE-9550358375	438.456	AHMLCGQTPYWXMA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138749
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CCc1ccc(cc1)C	MCULE-5047619399	438.456	OVTNXQFXWJFIFS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138750
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c(oc1C)n1cccc1)C#N)C(=O)N	PC-id_27562756	438.456	PACLRSKPNNBXON-UHFFFAOYSA-N	00000010111000000000100010000000000000000000000000000000	25-01-138751
c1(NC(=O)COc2cccnc2NC(=O)Nc2cc(on2)C)sc2c(CCC2)c1C#N	EMOLS-id_321900799,MCULE-3104145336	438.46	BPVFOQLBCSMJRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138752
c1(NC(=O)COc2nonc2CC(=O)NCc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_333687377,MCULE-4687285789	438.46	VFAJYEIKYQTKKX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138753
c1(NC(=O)COc2nonc2CC(=O)NCc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_333683039,MCULE-4767788515	438.46	SDIUMGGFGHDZGR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138754
c1(NC(=O)COc2nonc2CC(=O)NCc2ccncc2)sc2CCCc2c1C#N	MCULE-5169499913,EMOLS-id_333686096	438.46	QHTOBJNWYPXULY-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138755
c1(NC(=O)COC(=O)c2ccc(cc2OC)n2c(C)nnn2)sc2c(CCC2)c1C#N	EMOLS-id_320662715,MCULE-8756900517	438.46	CTJZSGHORUYKRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138756
c1(NC(=O)c2ccccc2C(F)(F)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334338210,MCULE-7971634801	438.463	HVECLROWQUTSKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138757
c1(NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4383367227,EMOLS-id_334332076	438.463	XLCDAWODYVGGDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138758
s1c2CCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_28136091	438.463	CPYXYBABMQOTBD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138759
s1c2CCCc2cc1C(=O)NNC(=O)C1CCN(CC1)c1ncc(cc1)C(F)(F)F	PC-id_24487356	438.467	ZYUBEIFEYBYIBB-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-138760
NC(=O)c1c(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)sc2c1CCC2	PC-id_2102346,EMOLS-id_3265677,MCULE-4260022694,CoCoCo_3154355,ZINC22_2639380	438.471	CMYBRQXLHAHLBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138761
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)F)c2=O)CCC	MCULE-8640024158	438.475	CDEWXSFMCGXTHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138762
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(ccc(c1)C(=O)OC)C(=O)OC	PC-id_26949451	438.475	XYZPALDIUDDQLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138763
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N)cc1)C(=O)OC	PC-id_45676659	438.475	YPMHUJKVMPCNSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138764
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)C)cc1	PC-id_16947328	438.475	ILDFXKXBBXVIOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138765
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(NC(=O)C)ccc1	PC-id_16947327	438.475	CZXIOHDEBUFDCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138766
c1(NC(=S)NC(=O)c2ccc(c3ccccc3N(=O)=O)o2)sc2c(CCC2)c1C#N	MCULE-5711754010,EMOLS-id_1831459,CoCoCo_565751,PC-id_2235180,ZINC22_2882910	438.48	HBYUSKUEWOQACI-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-138767
c1(NC(=S)NC(=O)c2ccc(c3cccc(c3)N(=O)=O)o2)sc2c(CCC2)c1C#N	ZINC22_9289093,MCULE-8678553477,EMOLS-id_4124680,CoCoCo_6306103,SPECS-id_AN-153/I243546,PC-id_3908315	438.48	PUZXNAJYCOEYQY-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-138768
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccno1)C	PC-id_66941691,SCHEMBL1206037	438.48	KHDUIWVQCQLOKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138769
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccno1)C	SCHEMBL1206031,PC-id_24764582	438.48	KHDUIWVQCQLOKR-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138770
O=C(NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)c1ccccc1)Nc1ccccc1	PC-id_68439700,SCHEMBL2915673	438.481	KMAYZQNIIBHPRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138771
s1c(C(=O)N2CC[NH+](CC2)CC(=O)Nc2c(cccc2)C(F)(F)F)cc2CCCc12	PC-id_41254869	438.486	DHZWMXVNWOZBDC-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-138772
CCOC(=O)c1c(NC(=O)CN(C)Cc2ccc(OC(F)F)cc2)sc2c1CCC2	CoCoCo_3581186,EMOLS-id_48934577,ZINC22_3378795,CoCoCo_3581187,MCULE-3723038873,PC-id_2496901	438.488	CGXFRGKKFFPQEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138773
CCNC(=NCc1ccc(cc1C(F)(F)F)OC(C)(C)C)NCc1nnc2n1CCC2	PC-id_111499171	438.49	YCDOTJGQMWVHID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138774
FC(F)(F)c1nn(c2c1CCC2)C(C(=O)N1CCN(CC1)Cc1c(n(nc1)C)C)CC	PC-id_19590988	438.49	ATCSDKMSABOWAA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-138775
COc1ccc(cc1OC)C(=O)c1c(N)sc2c1CN(C2)C(=O)OCc1ccccc1	PC-id_22452744,SCHEMBL7681433	438.496	WBLSJJYGFQBLMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138776
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(c1ccccc1)C(=O)N(C)C	PC-id_24470697	438.496	ITPBCOSFHIDFLY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138777
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(cc1)c1ccccc1)C(=O)N	PC-id_24380033	438.496	SNYZYRBWSMOCOG-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-138778
c12C(=O)N(Cc1sc(N(C)C(=O)Nc1ccc(cc1OC)OC)n2)Cc1ccccc1	EMOLS-id_33030382,MCULE-8775131374,PC-id_53188459	438.499	IUVLOCQSOQCZMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138779
c12C(=O)N(Cc1sc(N(C)C(=O)Nc1ccc(c(OC)c1)OC)n2)Cc1ccccc1	EMOLS-id_33030372,MCULE-1190116707,PC-id_53188454	438.499	JPAJHCMEPMEGPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138780
C1c2c(CN1S(=O)(=O)Cc1ccccc1)n(nc2)NC(=O)CCC(=O)c1ccccc1	PC-id_90738747	438.499	DXVPXKRZLCGOMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138781
Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)/S2	CoCoCo_5721692,PC-id_92153556,GD-id_ZINC01636058,ZINC22_1636058	438.499	PWVWKSOOKWSEDN-ZDLGFXPLSA-O	00000010100000110001000010000000000000000000000000000000	25-01-138782
Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)/C(=Cc1cccc([N+](=O)[O-])c1)/S2	ZINC22_17221814,SPECS-id_AT-225/NB49069,GD-id_ZINC17221814,CoCoCo_5721693	438.499	PWVWKSOOKWSEDN-VCHYOVAHSA-O	00000010100000110001000010000000000000000000000000000000	25-01-138783
Cc1cc(C)n(c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C(=O)N)CCC4)cc2)n1	ZINC22_2652482,MCULE-7538894022,PC-id_2115826,CoCoCo_2803912,EMOLS-id_3223342	438.499	LOMIDOJJZPGUKT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138784
COc1ccc(cc1C)C1(C)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C#N)C1=O	MCULE-3277606167,EMOLS-id_181315961,PC-id_84408788	438.499	HADFYMFDFINMCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138785
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)CCC(=O)c1ccccc1	PC-id_68440310,SCHEMBL2917426	438.499	GFISIFRRLZYCIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138786
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)CCC(=O)c1ccccc1	PC-id_141251779	438.499	NGMUXWDOSWMFKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138787
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)CCC(=O)c1ccccc1	PC-id_68443027,SCHEMBL2924966	438.499	NJFGVEKXJDHOSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138788
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)CCC(=O)c1ccccc1	PC-id_68440312,SCHEMBL2917428	438.499	UDSAYXMHOGIZIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138789
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(n2ncc(c2C)C(=O)OCC)cc1	PC-id_43070392	438.499	ZCCWPYGDKCDBJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138790
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(Cn2nccc2)cc1)C)C(=O)N	PC-id_24626793	438.499	BQYCRVOVPNOKSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138791
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1C)c1ccccc1)C)C(=O)N	PC-id_4214975	438.499	CTPQIYASDUZCTJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138792
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1[nH]nc(c2ccc(cc2)C)c1)C)C(=O)N	PC-id_43040887	438.499	FIQYDROANOKDDH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138793
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1cn(nc1)c1ccccc1)C(=O)N	PC-id_27031344	438.499	QZOSCHCZAWDXTL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138794
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1cccnc1	PC-id_16948015	438.499	CIYGEWRETMEPSB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-138795
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1ccncc1	PC-id_16948098	438.499	QKCMRTDNNPFZBV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-138796
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1ncccc1	PC-id_16948016	438.499	SYYFORRSEBJELC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-138797
S1c2scc([n+]2C(=O)/C/1=C/c1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(cccc1)C	PC-id_24202438	438.499	YQXBNZFUGJWMHY-ZDLGFXPLSA-O	00000010100000110001000010000000000000000000000000000000	25-01-138798
S1c2scc([n+]2C(=O)C1=Cc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(cccc1)C	PC-id_74257420	438.499	YQXBNZFUGJWMHY-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-138799
S1c2scc([n+]2C(=O)C1=Cc1cc(N([O-])[O-])ccc1)CC(=O)Nc1c(cccc1)C	PC-id_3493604	438.499	FDDTWQCZMOFOBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138800
S1c2scc([n+]2C(=O)C1=Cc1cc([N+](=O)[O-])ccc1)CC(=O)Nc1c(cccc1)C	PC-id_51058750	438.499	PWVWKSOOKWSEDN-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-138801
Cc1ccc(cc1)/C=N\n1c2CCCc2c(c1C)P(=O)(c1ccccc1)c1ccccc1	PC-id_101042419	438.501	QNULGXIQPDTYPU-BRPDVVIDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138802
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncncc3F)[nH]nc2C1(C)C)c1ccccc1	SCHEMBL1940868,PC-id_59474231,BindingDB-id_218957,BindingDB_PC-id_59474231	438.501	JHFXLYUQPIYHCP-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138803
O=C(N1CCN(CC1)CCc1cc2c(s1)C(=O)OC2)Cc1ccc(cc1)n1cnnn1	PC-id_57331414,SCHEMBL4549661	438.503	NILKLKYHLFVUJF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138804
c1(c2CCCc2sc1NCc1cccc(F)c1)C(=O)Nc1ccc(cc1)C(=O)OCC	CoCoCo_2720379,EMOLS-id_16406114,PC-id_3471194,MCULE-1987961660	438.514	OHOUFFKQKJBPDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138805
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	CoCoCo_5277813,MCULE-6839971459,ZINC22_23139637,EMOLS-id_24913621,PC-id_30862856	438.518	WTDVVSNRCYVELL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138806
CCc1cccc(c1NC(=O)C1(NNc2c1ccs2)NC(=O)c1cccc(c1)F)CC	PC-id_68462591,SCHEMBL2973584	438.518	XCZGTSKWDNRZHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138807
CC(C)(O)C#CC#Cc1cc2c(s1)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C2	CHEMBL4452378	438.518	NAHHEYFDXNUHIZ-LJQANCHMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138808
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(sc2)NC)CS(=O)(=O)C	PC-id_141237110	438.518	XKFUUOMKQGKWBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138809
CCOC(=O)/C=C/1SCC(=O)N1CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	CoCoCo_3161004,PC-id_16266311	438.518	DRKHINWAHVWQMR-NVNXTCNLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138810
CCOC(=O)C=C1SCC(=O)N1CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_45835542,EMOLS-id_26056324,MCULE-6308142618	438.518	DRKHINWAHVWQMR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138811
CCOC(=O)/C=C
/SCC(=O)N1CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_97618861,ZINC22_96514047,CoCoCo_3161005	438.518	DRKHINWAHVWQMR-OVCLIPMQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138812
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2	EMOLS-id_24025527,CoCoCo_2840812,PC-id_5132356,ZINC22_9069764,MCULE-5738891176	438.518	LVQOOACBQZZZDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138813
COC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408612385	438.518	VCCBEHAGLAMHFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138814
COC(=O)c1c(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408617589	438.518	HFUCFZJAOSDETH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138815
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408625517	438.518	VKQKIZLFRDHCCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138816
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053672	438.518	PTIWZBLBILXYSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138817
S1Cc2c(nn(c2NC(=O)Cc2cc(ccc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053726	438.518	OEZNWAQHBSWGFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138818
S1Cc2c(nn(c2NC(=O)Cc2ccc(F)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053776	438.518	CVZOEVPRHQJXOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138819
S1Cc2c(nn(c2NC(=O)CCc2ccccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053729	438.518	ADQQXZLTUJMLIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138820
Fc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCc3s2)cs1	EMOLS-id_323429713,MCULE-5494352959	438.519	LCFUGFWLLKGKNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138821
CCNC(=O)Cn1cc2[n+](c1)CCC2SC1=C(C(=O)[O-])N2[C@H](S1)[C@H](C2=O)C(O)C	SCHEMBL9689280	438.521	FXHYCYFARPOYFG-AACLDEMPSA-N	00001011100000000001001010000000000000000000000000000000	25-01-138822
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C(=O)O	PC-id_117680283,SCHEMBL16213638	438.521	XCSNELRBWDJLKX-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-138823
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)N(C)C)C(=O)[O-]	PC-id_85103284	438.521	CJKQYIZWJLKIOT-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-138824
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)CC(=O)N(C)C)C(=O)[O-]	PC-id_10048772	438.521	CJKQYIZWJLKIOT-MVQPRLOUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-138825
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)CC(=O)N(C)C)C(=O)[O-]	PC-id_10048774	438.521	CJKQYIZWJLKIOT-QBTOZTBISA-N	00001011100000000001001010000000000000000000000000000000	25-01-138826
c1(NC(=O)COc2cccnc2NC(=O)Cc2cccs2)sc2c(CCC2)c1C#N	MCULE-3762841136,EMOLS-id_321806203	438.523	LLBXYNKHZWXDSC-UHFFFAOYSA-N	00000010100100101000000010000000000000000000000000000000	25-01-138827
COc1ccc(cc1)c1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCC2)C#N	PC-id_136685775	438.523	HKPSDBBEMICXGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138828
O=C(N(Cc1n2CCCc2nn1)C)/C=C/c1c(nn(Cc2ccccc2)c1)c1ccccc1	PC-id_52599197	438.524	OAZGRJDISGUQSA-CCEZHUSRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138829
O=C(N(Cc1n2CCCc2nn1)C)C=Cc1c(nn(Cc2ccccc2)c1)c1ccccc1	PC-id_75878333	438.524	OAZGRJDISGUQSA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138830
c1(c2CCCc2sc1NCc1ccc(cc1)OC)C(=O)Nc1ccc(cc1OC)OC	BAS-06100816,MCULE-4900980718,ZINC22_798209,CoCoCo_345093,PC-id_1082678,EMOLS-id_1476173	438.539	QILMLIYKOVBCCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138831
c1(c2CCCc2sc1NCc1cccc(OC)c1)C(=O)Nc1ccc(cc1OC)OC	CHEMBL1315116,PC-id_1082680,CoCoCo_345095,EMOLS-id_1476177,BAS-06100818,ZINC22_798211,MCULE-5075033807	438.539	OUQJQWDNBXXIPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138832
c1(c2CCCc2sc1NCc1cccc(OC)c1)C(=O)Nc1c(OC)ccc(OC)c1	CoCoCo_306027,MCULE-6519916415,EMOLS-id_1439535,PC-id_1166846,BAS-03715647,ZINC22_920835	438.539	SAIHDSIMWPZOMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138833
c1(c2CCCc2sc1NCc1ccc(c(OC)c1)OC)C(=O)Nc1ccccc1OC	CoCoCo_2720362,MCULE-1015992947,PC-id_3342532,EMOLS-id_16406092	438.539	QOYADUXHVCEHPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138834
c1(c2CCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1ccccc1OC	CoCoCo_306035,MCULE-7841805041,TIMTEC509421,ZINC22_920840,EMOLS-id_1439551,BAS-03715655,PC-id_1166850	438.539	VRZYAVPSUAEDRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138835
c1(c2CCCc2sc1NCc1ccc(OC)cc1)C(=O)Nc1c(OC)ccc(OC)c1	MCULE-1390837972,BAS-03715643,CoCoCo_306025,EMOLS-id_1439531,ZINC22_920833,PC-id_1166844	438.539	ZQYBFZJTVJCVJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138836
c1(c2CCCc2sc1NCc1cc(OC)ccc1OC)C(=O)Nc1ccccc1OC	MCULE-5961439590,BAS-03715657,EMOLS-id_1439555,CoCoCo_306037,PC-id_1166853,ZINC22_920843	438.539	GRAANJDZFGWPHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138837
c1(c2CCCc2sc1NC(=O)C1CC(=C(CC1C(=O)O)C)C)C(=O)Nc1ccccc1	TIMTEC298378,EMOLS-id_4124972,MCULE-5392118894,PC-id_17377953	438.539	LWPBGIQHUQPKBU-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-138838
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCC2)c1C(=O)NCc1ccc(C)cc1	MCULE-2121899791,EMOLS-id_4124960,TIMTEC212727,PC-id_17377106	438.539	IFHAEFQOWYCNBZ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-138839
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334342816,MCULE-4080615539	438.539	PHLUJKLHTXIILM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138840
c1(NC(=O)c2cccc(c2)OCC(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4207430297,EMOLS-id_334340768	438.539	UUCGTZVRQDREIK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138841
c1(NC(=O)C(=Cc2ccc(cc2)OCCCC)C#N)sc2c(CCC2)c1C(=O)OCC	MCULE-1007479048,PC-id_1652294	438.539	ABSWFNWOSOAMIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138842
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338987,MCULE-9319962366	438.539	NHCXEZWBHOORGM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138843
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8299708067,EMOLS-id_334337451	438.539	SZBXHAQQKHPBKJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138844
c1(NC(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338478,MCULE-4762512775	438.539	GLYWUDPNNOWOPK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138845
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2479783030,EMOLS-id_334339754	438.539	QGZWWYXNQVQEHE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138846
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336171,MCULE-9422122506	438.539	FOIAEBQWWTUWQP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138847
Cc1cc(C)cc(OCCN(C)C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)c1	MCULE-4409492807,PC-id_45916695,ZINC22_40157353,EMOLS-id_30263187	438.539	FMKOHCYEXLRACF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-138848
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCC3)[C@@H](C(=O)O)C1	CoCoCo_6832823,ZINC22_17102528,PC-id_27528573	438.539	LWPBGIQHUQPKBU-MSOLQXFVSA-N	00000010100011110000000010000000000000000000000000000000	25-01-138849
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCC3)[C@H](C(=O)O)C1	CoCoCo_6832824,PC-id_27528577,ZINC22_17102532	438.539	LWPBGIQHUQPKBU-QZTJIDSGSA-N	00000010100011110000000010000000000000000000000000000000	25-01-138850
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCC3)[C@@H](C(=O)O)C1	ZINC22_17102530,PC-id_27528575,CoCoCo_6832821	438.539	LWPBGIQHUQPKBU-ROUUACIJSA-N	00000010100011110000000010000000000000000000000000000000	25-01-138851
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCC3)C1	ZINC22_17102534,CoCoCo_6832822,PC-id_27528579	438.539	LWPBGIQHUQPKBU-ZWKOTPCHSA-N	00000010100011110000000010000000000000000000000000000000	25-01-138852
Cc1ccc(CNC(=O)c2c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)cc1	CoCoCo_6832067,PC-id_27528546,ZINC22_17102480	438.539	IFHAEFQOWYCNBZ-IRXDYDNUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-138853
Cc1ccc(CNC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)cc1	CoCoCo_6832068,PC-id_27528543,ZINC22_17102478	438.539	IFHAEFQOWYCNBZ-SJORKVTESA-N	00000010100011110000000010000000000000000000000000000000	25-01-138854
Cc1ccc(CNC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)sc3c2CCC3)cc1	PC-id_27528549,CoCoCo_6832065,ZINC22_17102482	438.539	IFHAEFQOWYCNBZ-IAGOWNOFSA-N	00000010100011110000000010000000000000000000000000000000	25-01-138855
Cc1ccc(CNC(=O)c2c(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)sc3c2CCC3)cc1	ZINC22_17102484,PC-id_27528552,CoCoCo_6832066	438.539	IFHAEFQOWYCNBZ-DLBZAZTESA-N	00000010100011110000000010000000000000000000000000000000	25-01-138856
s1c2c(CCC2)c(c1NCc1c(OC)ccc(OC)c1)C(=O)Nc1ccc(OC)cc1	PC-id_3638829	438.539	XDDILNTWNGFLCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138857
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1ccc(OCCCC)cc1)/C#N)C(=O)OCC	PC-id_1652293	438.539	ABSWFNWOSOAMIY-SAPNQHFASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138858
CC(=Cc1occ2c1CC(C2)(C)C)P(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL19929753	438.54	FAHRVHIQLIGJBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138859
c1(NC(=O)c2ccc(cc2)C(C)(C)C)c2CSCc2nn1CC(=O)NCc1ccco1	MCULE-2779559353,CoCoCo_5277715,ZINC22_23139355,EMOLS-id_24913453,PC-id_30862616	438.543	WKUBCBOCXYBZPW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-138860
c1(NC(=O)COc2cccnc2NC(=O)CC2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_321808240,MCULE-2284167705	438.543	PFLWFSKGVMBGLJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-138861
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CC=C)sc2CCCc2c1C#N	MCULE-9245840255,EMOLS-id_331926547	438.543	SXBYUNRIYMIHOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-138862
CC(C(c1nnc2n1CCC2)NC(=O)c1cccc(c1)S(=O)(=O)Cc1ccccc1)C	PC-id_72139044,EMOLS-id_42884713,MCULE-6474192368	438.543	HBEBUPBOWSECSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138863
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nnc2n1CCC2	PC-id_95760826,ZINC22_72271445	438.543	HBEBUPBOWSECSN-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138864
CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nnc2n1CCC2	PC-id_95760827,ZINC22_72271446	438.543	HBEBUPBOWSECSN-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138865
CCOC(=O)C1CCc2c1nc(s2)NC(=O)CCc1ccc(cc1)n1nc(cc1C)C	PC-id_92116443	438.543	MNXAQDOELGDXAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138866
O=C(c1ccc(cc1)C(C)(C)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_10138044,SCHEMBL2917515	438.543	FGOHSFMIPKAONU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138867
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(cccc1C(=O)O)Br	MCULE-9502967197,EMOLS-id_328222832	439.302	WTOPYCPNSAKWBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139002
s1c2c(CCC2)c(c1NC(=O)CN(CCCc1onc(c1)c1ccccc1)C)C(=O)N	PC-id_56383395	438.543	WSUCCTOFXCAKDO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138868
S(=O)(=O)(N(Cc1ccccc1)CC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536316	438.543	HQCUVPWMLXMPKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138869
CN(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324823543	438.544	DPPXJBNVIOWEAS-XLNRJJMWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138870
n12c(=O)c(=Cc3ccc(N(C)C)cc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-3870532929	438.544	DPPXJBNVIOWEAS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138871
N#Cc1c(NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)sc2c1CCC2	ZINC22_10029249,PC-id_41323841,CoCoCo_4184540	438.544	SWXDXGIUZOJEAD-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-138872
N#Cc1c(NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)sc2c1CCC2	ZINC22_10029256,PC-id_41323844,CoCoCo_4184539	438.544	SWXDXGIUZOJEAD-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138873
O=C(CSc1nnc(CC2CCS(=O)(=O)C2)o1)Nc1sc2CCCc2c1C#N	PC-id_16394081,MCULE-2514593072,EMOLS-id_11875196	438.544	SWXDXGIUZOJEAD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-138874
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1cc(cc(C)n1)Nc1sc(c(C)n1)C	BDE-26223914,MCULE-4456233446,EMOLS-id_171586599,PC-id_110093624	438.546	PYTKSOBMPGPYAN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138875
Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257289464	438.546	PYTKSOBMPGPYAN-IBGZPJMESA-N	00000010100010101001100010000000000000000000000000000000	25-01-138876
Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1	ZINC22_257289465	438.546	PYTKSOBMPGPYAN-LJQANCHMSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138877
n1(Cc2ccccc2)c(CNC(=O)c2c3CCCc3[nH]n2)nnc1SCC1CCCO1	PC-id_45203153,MCULE-5713375103,EMOLS-id_20542265	438.546	LQLCPRNGLJCKBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138878
O=C(NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1)c1n[nH]c2c1CCC2	CoCoCo_1332415,CoCoCo_1332417,ZINC22_11912126	438.546	LQLCPRNGLJCKBL-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138879
O=C(NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1)c1n[nH]c2c1CCC2	CoCoCo_1332416,ZINC22_11912125,CoCoCo_1332418	438.546	LQLCPRNGLJCKBL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138880
s1c2CCCc2cc1C(=O)OCc1cc(COC(=O)c2sc3CCCc3c2)ccc1	PC-id_3548582	438.559	KWUVYGHECHJEHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138881
CCCCn1c(C)c2c(c1C)C(=O)N(CN1CCN(c3ccccc3OCC)CC1)C2=O	CHEMBL4546047	438.562	XHIGZZTXFXABLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138882
O=C1N(CCN2CCN(CC2)c2c(OC)cccc2)C(=O)c2c1c(n(c2C)CCCC)C	PC-id_10741672	438.562	RLRSAZGJGASQMS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138883
OC(CN1CCN(CC1)c1ccccc1)CN1C(=O)c2c(c(n(c2C)CCCC)C)C1=O	PC-id_10003260	438.562	SVWVTSHGLYSLJW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-138884
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(OCc2ccccc2)cc1)C(=O)OC	PC-id_19648777	438.562	SVDXDJLDPIZQMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138885
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)NCCOC)C)C(=O)N	PC-id_31043634	438.564	XVMWOBGFFRNUPU-ZDUSSCGKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-138886
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)NCCOC)C)C(=O)N	PC-id_31043640	438.564	XVMWOBGFFRNUPU-CYBMUJFWSA-O	00000010100010000001000010000000000000000000000000000000	25-01-138887
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)NCCOC)C)C(=O)N	PC-id_85480044	438.564	XVMWOBGFFRNUPU-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-138888
c1(C(=O)NCCN2CCC(CC2)N2CCCCC2)cc2n(C[C@@H](Oc3ccncc3)C2)n1	MCULE-5027386459,EMOLS-id_316322110	438.566	FPPPMRLBTNQFQR-QFIPXVFZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138889
c1(NC(=O)c2ccccc2SC)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_24913547,CoCoCo_5277770,ZINC22_23139518,MCULE-1129048653,PC-id_30862751	438.566	YJXXUBNENNLEMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138890
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCC3)c2C#N)sc2c(CCC2)c1C#N	EMOLS-id_1260476,SPECS-id_AG-690/12868668,CoCoCo_116454,BAS-00675917,PC-id_3115398,ZINC22_6073487,SPECS-id_AN-153/I120989,MCULE-5087974147,SPECS-id_AT-084/J158826,TIMTEC451828	438.566	SLSUACDJUMARBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138891
Cc1cc(c2ccccc2)nc(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)n1	PC-id_25956434,CoCoCo_4186884,ZINC22_14129406	438.566	NNTQEUBVYWVBHY-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138892
Cc1cc(c2ccccc2)nc(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)n1	PC-id_25956435,ZINC22_14129407,CoCoCo_4186885	438.566	NNTQEUBVYWVBHY-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138893
Cc1nc(SC(C(=O)Nc2sc3c(c2C(=O)N)CCC3)C)nc(c1)c1ccccc1	PC-id_16352052,EMOLS-id_11796968,MCULE-9575583780	438.566	NNTQEUBVYWVBHY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138894
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)C)CCC3)nnc1c1ccccc1	PC-id_141677316	438.566	CEGXLSXSSWFSSY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138895
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[N@@H+](Cc1cnn(c1)Cc1ccccc1)C	PC-id_40988505,GD-id_ZINC09257546	438.566	GCVQNCIPASOKAH-HNNXBMFYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-138896
O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)c2c1c(n(c2C)CCCC)C	PC-id_3073721	438.566	JHUMIOLKQACMOG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-138897
O=C(c1nn2c(c1)CC(C2)Oc1ccncc1)NCCN1CCC(CC1)N1CCCCC1	MCULE-3707769831	438.566	FPPPMRLBTNQFQR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-138898
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)Cc1ccc(cc1)C#N)C)C(=O)N	PC-id_51621280	438.566	XVBQRJGOSISYCJ-HNNXBMFYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-138899
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)Cc1ccc(cc1)C#N)C)C(=O)N	PC-id_51625180	438.566	XVBQRJGOSISYCJ-OAHLLOKOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-138900
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1cn(nc1)Cc1ccccc1)C)C)C(=O)N	PC-id_40988508	438.566	GCVQNCIPASOKAH-OAHLLOKOSA-O	00000010100000110001000010000000000000000000000000000000	25-01-138901
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)Cc1ccc(cc1)C#N)C)C(=O)N	PC-id_75687900	438.566	XVBQRJGOSISYCJ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-138902
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1c(n(nc1C)c1ccccc1)C)C)C(=O)N	PC-id_41173499	438.566	GWBLAUJLOLQQQU-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-138903
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1cn(nc1)Cc1ccccc1)C)C)C(=O)N	PC-id_74731420	438.566	GCVQNCIPASOKAH-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-138904
Cc1ccccc1CCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-3696594064,EMOLS-id_335798693	438.569	CAHDGNGIPFWOPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138905
Cc1ccc(Cc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1C	MCULE-5439276862,EMOLS-id_335804066	438.569	CTQKIMLHLGJVPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138906
s1c2CCCc2c(c1NC(=O)CSc1n(nnn1)c1ccc(CCCC)cc1)C#N	PC-id_16535855	438.569	CLYRONGNTFAMJJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138907
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8377808201	438.582	FHBTVLQBLLBGTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138908
CC(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334332326	438.582	FHBTVLQBLLBGTP-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138909
CC(Cc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)[C@@H]1CC[N@H+](CC1)C)C	GD-id_ZINC45375215	438.586	CHLFXEUGBCLCJA-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-138910
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C/C=C/c1ccccc1)C)C(=O)N	PC-id_24506628	438.586	UACKZBAFVIIYCM-RMKNXTFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138911
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)CC=Cc1ccccc1)C)C(=O)N	PC-id_74288880	438.586	UACKZBAFVIIYCM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-138912
s1nc(SCC(=O)c2ccc(cc2)C)c2c1CN(C2=S)C(=O)c1ccc(cc1)C	PC-id_23885065	438.586	SBSLLKZZNVRCDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138913
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1nc(nc(c1)C)C(C)C)C#N	PC-id_24589367	438.589	BUFUSDKUQOSVFD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-138914
C[Si](C)(C=CC1=CCc2c1cc(s2)C(=O)N1CCC(CC1)c1cc(ccc1)CN)O	PC-id_90213720	438.658	CSKCXQFCFFASKV-UHFFFAOYSA-N	00000011100010110000100010000000000000000000000000000000	25-01-138915
NCc1cccc(c1)C1CCN(CC1)C(=O)c1sc2c(c1)C(=CC2)/C=C/[Si](O)(C)C	SCHEMBL15788703	438.658	CSKCXQFCFFASKV-JLHYYAGUSA-N	00000011100010110000100010000000000000000000000000000000	25-01-138916
COC1NNc2c1scc2C(=O)Nc1c(Cl)c(OC)c(c(c1Cl)OC)Cl	PC-id_138546704,SCHEMBL20901832	438.713	KFFWDGSNUWGAQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138917
Clc1ccccc1OCc1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324885512	438.715	YKEVECOGAATYEW-ZSOIEALJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138918
Clc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1Cl	EMOLS-id_324882440	438.715	LRSDHGJBKDXARX-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138919
Clc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)c(Cl)c1	EMOLS-id_324883975	438.715	YWCFMMPPSUZLNR-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-138920
Clc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324847857	438.715	GPZZSUBZDTZSRD-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-138921
Clc1ccc(OCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324848883	438.715	GAAREDMLKALWFM-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-138922
Clc1ccc(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	EMOLS-id_324843773	438.715	AXBTZJJNAGBXIU-ZSOIEALJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138923
Clc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324842236	438.715	DVFOYQOEMAJNPC-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-138924
S1Cc2c(nn(c2NC(=O)COc2ccc(F)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053355	440.491	QWJPVRBAFMYRAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139483
Clc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_324844796	438.715	NUSDBYPPJGJTNH-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138925
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)COc1ccc(cc1Cl)Cl	MCULE-3265104794	438.715	GAAREDMLKALWFM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138926
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1ccccc1Cl	MCULE-9554568755	438.715	YKEVECOGAATYEW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138927
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1ccc(Cl)cc1	MCULE-5463418802	438.715	AXBTZJJNAGBXIU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138928
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-9377731439	438.715	GPZZSUBZDTZSRD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138929
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1ccccc1Cl	MCULE-6402743043	438.715	YWCFMMPPSUZLNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138930
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1ccc(Cl)cc1	MCULE-5364454068	438.715	DVFOYQOEMAJNPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138931
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1ccccc1Cl	MCULE-2432788998	438.715	LRSDHGJBKDXARX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138932
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1ccc(Cl)cc1	MCULE-9588683552	438.715	NUSDBYPPJGJTNH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138933
CCSC1c2c(sc(c2C(S1)SC(C)(C)C)SCC)SC(C)(C)C	SCHEMBL10935328,PC-id_88694209	438.821	MKKUTTTUXUTNAY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138934
Clc1ccc(NC(=O)Nc2n3C(=NC(=O)c3nn2)CC(=O)c2ccc(OC)cc2)cc1	SPECS-id_AT-225/JK09528,PC-id_51059428	438.824	ZSGYYYXPIWIXOP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138935
COc1ccc(cc1)C(=O)Cc1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_137105762	438.824	HLEJYBAFHQPKHS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138936
COc1ccc(cc1)C(=O)Cc1nc(c2n1/C(=N/C(=O)Nc1ccc(cc1)Cl)/N=N2)O	PC-id_137265858	438.824	HLEJYBAFHQPKHS-LYBHJNIJSA-N	00000011100000110001000010000000000000000000000000000000	25-01-138937
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(cc1Cl)N(=O)=O)C(=O)OC	SCHEMBL8288722,EMOLS-id_1327945,MCULE-8093381493,BAS-01293173,PC-id_2787425,STOCK2S-61258	438.839	MHIQJXHJKZZRPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138938
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1ccc(c(c1)N(=O)=O)Cl)C(=O)OC	PC-id_19171156,MCULE-4802194824	438.839	UACZKCUIVJUDMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138939
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1c(Cl)ccc(c1)N(=O)=O)C(=O)OC	MCULE-5773068684,PC-id_2789283,BAS-01292145,STOCK2S-56597,EMOLS-id_1327868,ChemDIV2798-0911	438.839	RZGTVJJGISNFDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138940
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c([N+](=O)[O-])cc1	PC-id_35686907	438.839	KJKHRJCFNIYDCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138941
Clc1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24363365	438.839	PTWZINFSZSHPOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138942
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc([N+](=O)[O-])c1	PC-id_45684210	438.839	LEWWJCUVHSPNCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138943
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc([N+](=O)[O-])cc1	PC-id_24362884	438.839	LFTHHMQMAVRINQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138944
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1[C@H](C(=O)OC)CC2	PC-id_1553434,CoCoCo_187640,ZINC22_1744104	438.839	MHIQJXHJKZZRPY-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138945
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744107,CoCoCo_187639,PC-id_1553436	438.839	MHIQJXHJKZZRPY-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-138946
COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_187546,PC-id_1553467,ZINC22_1744162	438.839	RZGTVJJGISNFDP-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138947
COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744163,CoCoCo_187545,PC-id_1553468	438.839	RZGTVJJGISNFDP-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-138948
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(OC)c1OC	PC-id_45656950	438.882	DADKFJNQDKUDJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138949
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OC)cc1N	PC-id_16529477	438.882	HJXUUHJTQIIBHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138950
COC(=O)Cc1c(NC(=O)c2cc(NO)ccc2Cl)sc2c1C(CC2)C(=O)OC	PC-id_143029592	438.882	LUQZVAOXBYBINQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138951
COC(=O)c1cc(Cl)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1OC	MCULE-5855898681,EMOLS-id_328224627	438.903	LRJFHALJRWMGSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138952
c1(NC(=O)c2c(cccc2Cl)F)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053155,MCULE-1692034481,EMOLS-id_24913385	438.904	MULVDEXYOJGMCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138953
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)ccc(F)c1	PC-id_44053209	438.904	ZCLAVORNYAVLBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138954
O=C(Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2)NC[C@H]1CCCO1	CoCoCo_5277669,PC-id_30862520,ZINC22_23139227	438.904	MULVDEXYOJGMCH-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138955
O=C(Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2)NC[C@@H]1CCCO1	ZINC22_23139224,PC-id_30862518,CoCoCo_5277668	438.904	MULVDEXYOJGMCH-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-138956
Clc1c(cc(S(=O)(=O)C)cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16517618	438.905	HLIFYISNPPMSFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138957
Clc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C	SCHEMBL18740158	438.907	MYSPBBWKRKFYRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138958
Clc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C	SCHEMBL18740155	438.907	MYSPBBWKRKFYRR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138959
COC(=O)c1ccc(cc1)CNC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(cc1)Cl	SCHEMBL18758595	438.907	ITXSRALYVZKXPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138960
Clc1c(OC)cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OC)c1	PC-id_26440162	438.925	WGVUIFOCHUWYBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138961
Clc1ccc(COc2c(OC)cc(C(=O)Nc3sc4CCCc4c3C#N)cc2)cc1	PC-id_4511425	438.927	FIMSJQRDCJBQGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138962
Cc1cccc(C)c1NC(=O)CCc1nnc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n12	ZINC22_5722548,NSC635548	438.93	QSWGTKLVHUKLPZ-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-138963
Cc1cccc(C)c1NC(=O)CCc1nnc2s/c(=C/c3ccc(Cl)cc3)/c(=O)n12	ZINC22_8653176	438.93	QSWGTKLVHUKLPZ-SFQUDFHCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-138964
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)NC1CCS(=O)(=O)C1	TIMTEC155270,PC-id_17013800,EMOLS-id_10107419,MCULE-8603156485	438.948	FSVXKHWPSQGEST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138965
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)Cl)C(=O)NC1CCS(=O)(=O)C1	TIMTEC442741,EMOLS-id_10107421,PC-id_17013801,MCULE-7477981795	438.948	SBRNYSFOILMWTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138966
c1(c2CCCc2sc1NC(=O)c1cccc(Cl)c1)C(=O)NC1CCS(=O)(=O)C1	EMOLS-id_10105996,MCULE-3474591916,PC-id_17013024,TIMTEC529753	438.948	WOPPAGSLNAOWPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138967
c1(NC(=S)NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_855498,PC-id_1016680,EMOLS-id_1655312,MCULE-9809105081,ZINC22_678687	438.948	GKRPCUNCYYVTLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138968
Clc1c(SCCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_45702733	438.948	MXXNGJUMKUSVJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138969
NC(=O)c1c(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)sc2c1CCC2	EMOLS-id_3157308,PC-id_5236944,CoCoCo_2994421,ZINC22_9561973,MCULE-9727561852	438.948	XNLBSBRPGPVCAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138970
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1Cl	PC-id_35043980,ZINC22_27664602,CoCoCo_6331279	438.948	FSVXKHWPSQGEST-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138971
O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1ccccc1Cl	ZINC22_27664603,PC-id_35043981,CoCoCo_6331280	438.948	FSVXKHWPSQGEST-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-138972
O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1cccc(Cl)c1	PC-id_35043117,CoCoCo_6330356,ZINC22_27663649	438.948	WOPPAGSLNAOWPP-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138973
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2)c1cccc(Cl)c1	ZINC22_27663647,CoCoCo_6330355,PC-id_35043115	438.948	WOPPAGSLNAOWPP-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138974
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccc(Cl)cc1	ZINC22_27664604,PC-id_35043982,CoCoCo_6331281	438.948	SBRNYSFOILMWTD-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138975
O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1ccc(Cl)cc1	ZINC22_27664605,CoCoCo_6331282,PC-id_35043983	438.948	SBRNYSFOILMWTD-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138976
c1(c(C)onc1c1ccccc1Cl)C(=O)N(C1CCCC1)Cc1c2CCCc2n(C)n1	EMOLS-id_50145330,PC-id_86266581,MCULE-4574790883	438.95	WGRSYLDDQMHWEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138977
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329770,PC-id_19114622,MCULE-9479600817	438.97	RRJGWWGBYMXQNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138978
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1cc2c(s1)CCC2	ZINC22_12583514,CoCoCo_3179048,EMOLS-id_2984794,MCULE-2629963992,PC-id_4073106,GD-id_ZINC12583514	438.991	NLQIUTCGQWMHHZ-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-138979
CC(C)Cn1c2c(C(OC2(C)C)(C)C)sc1=NC(=S)c1c(ccc(c1)Cl)OC	PC-id_87179387,SCHEMBL944009	439.034	LMORJKDBEKOECF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138980
COc1ccc(cc1C(=S)/N=c/1sc2c(n1CC(C)C)C(OC2(C)C)(C)C)Cl	SCHEMBL944007	439.034	LMORJKDBEKOECF-NMWGTECJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138981
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=C(C(=CC=C3)F)Cl	PC-id_164871971	439.077	OQUSQJAQZRHFDT-LCCUQNOHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138982
C/C=C(C=C)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@@H](CO)C3=C(C(=CC=C3)F)Cl	PC-id_164872168	439.077	OQUSQJAQZRHFDT-IEWBSGLLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-138983
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)c(Cl)c(Cl)cc1Cl	PC-id_42977845	439.14	LURDPFURJAFFAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138984
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2C)C(=O)C(=O)N[C@@H](C)C(F)(F)F)F	PC-id_154663311	439.152	BTNNNFWENNISPP-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138985
CCCCC(CON1C(=O)c2c(C1=O)c(sc2Br)Br)CC	SCHEMBL18315252	439.163	PIQJSATURKOFDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138986
CC(C)(C)OC(=O)CCCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)O)Cl	PC-id_165036203	439.176	KLZJDTRAOLAUJM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138987
CC(C)(C)OC(=O)CCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)OC)Cl	PC-id_165018082	439.176	SCDOMWORUBKSMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-138988
CC1=C(C=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)CC(=O)C4CCCCC4C(=O)O)C	PC-id_160145248	439.182	OZVBWQCCIBGXLM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-138989
CC1=CC(=NC=N1)N2CCC(C2)C(C)NC3=NN4CC[C@H](C4=N3)OC5=CC=C(C=C5)Cl	PC-id_154938046	439.189	SNSUZLHSIFMSED-LADRWXRNSA-N	00000010100000110001100010000000000000000000000000000000	25-01-138990
CC1=C2CC[C@H](C2=NN1)NC(=O)/C(=C/N(CC3=C(N=C(C=C3)N4CC(C4)(C)F)C)N=C)/C	PC-id_154963992	439.25	MBSWKMKLOWNWAK-NRJHKNTJSA-N	00001010100000101001100010000000000000000000000000000000	25-01-138991
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(O)cc1	GD-id_ZINC39587529,PC-id_45690705	439.28	ACHACOYRITVFKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-138992
Brc1oc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_4543143,EMOLS-id_43767284,MCULE-3379614014	439.28	PEPTZDGTUVWRKF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-138993
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cncc(Br)c1)C(=O)OC	STOCK2S-61904,PD148517,EMOLS-id_1861403,PC-id_2789881,MCULE-5820672363	439.28	ODVXWJUBIAJQLY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-138994
COC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_855569,ZINC22_945164,PC-id_1184615	439.28	ODVXWJUBIAJQLY-JTQLQIEISA-N	00000010100000101000000010000000000000000000000000000000	25-01-138995
COC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_855570,PC-id_1184614,ZINC22_945163	439.28	ODVXWJUBIAJQLY-SNVBAGLBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-138996
COC(=O)c1c(NC(=O)COC(=O)c2cncc(Br)c2)sc2c1CCC2	MCULE-7270115071,ZINC22_9402831,CoCoCo_2920591,EMOLS-id_3072262,PC-id_3593918	439.28	PWQHSYILTXCHSP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-138997
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)sc2c1CCC2	CoCoCo_3051536,PC-id_6145202,ZINC22_9129161	439.28	PEPTZDGTUVWRKF-FNORWQNLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-138998
O=C(/C=Cc1ccc(o1)Br)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3051537	439.28	PEPTZDGTUVWRKF-ALCCZGGFSA-N	00000010101000000000000010000000000000000000000000000000	25-01-138999
Clc1cc(NC(=O)c2n3c(CCC3)c(c2NC(=O)c2ccccc2)C#N)cc(Cl)c1	PC-id_77461187	439.294	XYOXLDBOPVNNCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139000
Clc1cc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1Cl	PC-id_4387425,MCULE-7429404715,EMOLS-id_26051188	439.312	DCCREJYELDESML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139003
Clc1c(/C=C/C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1Cl	PC-id_24347290	439.312	CTVBCWVQPUDYFR-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139004
Clc1c(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1Cl	PC-id_74263431	439.312	CTVBCWVQPUDYFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139005
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCC2	ZINC22_9633346,PC-id_6086991,CoCoCo_3091901	439.312	DCCREJYELDESML-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139006
O=C(/C=Cc1ccc(c(c1)Cl)Cl)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3091902	439.312	DCCREJYELDESML-ALCCZGGFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139007
Brc1ccc(o1)C(=O)Nc1sc2CCCc2c1C(=O)NCC1CCCO1	MCULE-2678494364,EMOLS-id_334339232	439.323	RPMNWSRLSQWJKC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-139008
Brc1c(OCC)c(OC)cc(C(=O)NNC(=O)c2sc3CCCc3c2)c1	PC-id_27684206	439.323	STGSEEGXASCWBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139009
Brc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)cc1	PC-id_44053000	439.327	PCDBCEJINGAKAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139010
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)ccc1	PC-id_44052999	439.327	DFNNOMZCBAUFIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139011
Brc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)cccc1	PC-id_44052998	439.327	SDCJRWHUFQQSRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139012
O=C(Cc1ccc(cn1)Br)Nc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_144742161	439.327	YULWEGYBAOBKME-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-139013
N#Cc1c(/N=C/c2cccs2)c(C(=O)Nc2ccc(Br)cc2)n2c1CCC2	CHEMBL4560186	439.328	RBJDLVWWKGFLIS-FSJBWODESA-N	00000010100100110000000010000000000000000000000000000000	25-01-139014
Brc1ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_54792131	439.347	QFHACUMENAAEHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139015
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]CCO)cc1	PC-id_2300015,GD-id_ZINC03003725	439.347	OMMHCCDLWPOHBR-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-139016
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_54791681	439.347	CSLNCRRXGLTLCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139017
N#Cc1c(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)sc2c1CCC2	EMOLS-id_44559965,PC-id_71881702,MCULE-6725992974,ZINC22_61112021	439.347	UXSQZIHVAPXBEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139018
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_2210202,PC-id_2938434,MCULE-1072592046	439.355	UTRZNXPIVMVEPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139019
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8548404039,EMOLS-id_334334883	439.355	NUOSNCYDNCTVER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139020
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4204135064,EMOLS-id_334335662	439.355	ZQMJLDQJYXHAAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139021
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1ccc(Cl)cc1Cl	ZINC22_1130211,PC-id_1305398,CoCoCo_925251	439.355	UTRZNXPIVMVEPB-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139022
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1ccc(Cl)cc1Cl	ZINC22_2829162,PC-id_2187818,CoCoCo_925252	439.355	UTRZNXPIVMVEPB-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139023
Clc1ccc(c(Cl)c1)C1(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)CC1	EMOLS-id_328213628,MCULE-2434480539	439.377	AQCYEMWDLNIEIF-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-139024
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F)c1ccco1	PC-id_24772222,SCHEMBL2162097	439.38	KDIBHXIXRQHLBI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139025
FC(F)(F)c1ccc(CN2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2=O)cc1	PC-id_23081390,SCHEMBL5542042	439.388	KQHOPGSKFWWLCY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139026
FC(F)(F)c1ccc(C(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081428,SCHEMBL5542008	439.388	AIFPNPQEFLVUDV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139027
FC(F)(F)c1ccc(C(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481599,SCHEMBL5543497	439.388	AIFPNPQEFLVUDV-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139028
FC(F)(F)c1cc(C(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)ccc1	SCHEMBL5536516,PC-id_23081085	439.388	CZFMOQOYXDSDNJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139029
Brc1cc(c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1)CC	PC-id_19687754	439.39	BRTBRBLLMJJLBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139030
COC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)c1ccc2n1C(=O)C(=C2)Cc1ccccc1	PC-id_101173908	439.418	DMAYVBPZPXAWOJ-INIZCTEOSA-N	00000011100000110000000010000000000000000000000000000000	25-01-139031
COc1ccc(cc1)NC(=O)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16624991,PC-id_117999670	439.421	ULKBAYMOWDCKAG-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139032
COc1ccc(cc1)NC(=O)Nc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19704650	439.421	ULKBAYMOWDCKAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139033
C1(=O)N[C@H](C(=O)N[C@H](C(=O)c2ccc3C=C(C(=O)N)Cn23)Cc2c[nH]cn2)CC(=O)N1C	PC-id_154809827,MCULE-3082779697	439.425	GXPJUUNGWZECGE-KBPBESRZSA-N	00000011100010000001000010000000000000000000000000000000	25-01-139034
C/C=CC(=C/C)Oc1nnnn1c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL16625053,PC-id_117999721	439.425	DTRWYQQEWLAGRQ-VEDONMFKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139035
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1cc(ccc1)C(F)(F)F	PC-id_28248196	439.428	JTAIJDFBFMUEMF-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-139036
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC(F)F)cccc1)C(=O)OCC	PC-id_24387123	439.43	LIFYYPRBXBIBSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139037
CN(C1CCN(CC1)c1ccc(cc1)C(F)(F)F)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5546646,PC-id_69482523	439.431	UGNJERRGOODILK-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-139038
CNC([C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)c1ccc(cc1)C(F)(F)F	SCHEMBL5546643,PC-id_69482521	439.431	MGMPQFQUGZRCRD-NNBQYGFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139039
CNC(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)c1ccc(cc1)C(F)(F)F	SCHEMBL5546647,PC-id_69482524	439.431	MGMPQFQUGZRCRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139040
FC(F)(F)c1ccc(CN2CCN(CCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5544203,PC-id_69481733	439.431	BMYONYCWPPYUNN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139041
FC(F)(F)c1ccc(CNC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081276,SCHEMBL5534800	439.431	ZKIMBWQPRQKCFR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139042
FC(F)(F)c1ccc(CNC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5534791,PC-id_69479141	439.431	ZKIMBWQPRQKCFR-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-139043
FC(F)(F)c1ccc(N2CCC(N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	PC-id_77659841	439.431	UGNJERRGOODILK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139044
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)OC)sc2CCCc2c1C#N	MCULE-3999327859,EMOLS-id_333679861	439.444	LHARVBLVLZGYPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139045
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(OC)c2)sc2CCCc2c1C#N	EMOLS-id_333679095,MCULE-3522882253	439.444	LYUCXOFANJVQJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139046
c1(NC(=O)COc2nonc2C(=O)NCc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_333713982,MCULE-3275745958	439.444	HHXHSTLWUXDOGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139047
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1cccc(c1)C(F)(F)F)Cc1ccco1	PC-id_92109625	439.451	YKKUYHSYGUGSSB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139048
Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c2CCCc12	EMOLS-id_50145288,MCULE-2652520662,PC-id_86266558	439.451	MDRHCTXXFDMBTL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139049
CNC(=O)C1(NC(=O)C(=O)c2c(C)c(c3n2CCC3)C(=O)OC(C)(C)C)CC(C1)(F)F	SCHEMBL21378248,PC-id_139507389	439.453	KFSQQVFIRFRPMC-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-139050
c12c(CCC1C(=O)Nc1ccc(cc1)C(=O)OC)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947261,MCULE-7238369523,EMOLS-id_12346583	439.459	SHONGUMZEZWPRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139051
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_26345876,STOCK4S-62522,ZINC22_13776601	439.459	WYLQQYZLXYXGCA-YKYHQJSKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139052
COC(=O)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)cc1	CoCoCo_5124776,PC-id_40945545,ZINC22_9131614	439.459	SHONGUMZEZWPRQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139053
COC(=O)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)cc1	PC-id_40945544,CoCoCo_5124777,ZINC22_9131613	439.459	SHONGUMZEZWPRQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139054
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)C=Cc1ccc(cc1)F	MCULE-1755462840	439.459	WYLQQYZLXYXGCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139055
c1(C(=O)N[C@H]2Cc3n(ncc3C(=O)NCCOC)C2)noc(C)c1COc1ccccc1	MCULE-9907426779,EMOLS-id_316324659	439.464	UQEZXFOZWFUPBE-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139056
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NCCOC)c3)C2)noc(C)c1COc1ccccc1	EMOLS-id_316334897,MCULE-5490713380	439.464	ZEEBFUPUBOOEEX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139057
CCc1ccc(cc1)NC(Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])O	PC-id_144820551	439.464	CPWWKQLODFDHLJ-LWMIZPGFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139058
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)c1cccnc1C	PC-id_68439948,SCHEMBL2916443	439.466	CJLMZLQJYANQGH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-139059
CCCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)n1ccoc1=O	PC-id_139982968	439.468	QRIVDMAJQDFICB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139060
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(OC(F)F)c(OC)cc1)C)C(=O)N	PC-id_33714784	439.476	TUCRUSTYAIUSJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139061
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)C1(F)CCN(CC1)C)NC(=O)OCC	SCHEMBL3326419,PC-id_59333968	439.481	UKWCZNUHFDOPSF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-139062
c1(C(=O)NC2Cc3n(nc(C(=O)NCCOC)c3)C2)cc(n(C)c1C)c1ccc(cc1)F	MCULE-8825333810	439.483	CVPZOYBCGMRODS-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-139063
c1(C(=O)N[C@H]2Cc3n(ncc3C(=O)NCCOC)C2)cc(n(C)c1C)c1ccc(cc1)F	EMOLS-id_316325172,MCULE-1110899357	439.483	WDPNLYRLMYRZPC-KRWDZBQOSA-N	00000010110000110001100010000000000000000000000000000000	25-01-139064
c1(C(=O)N[C@H]2Cc3n(nc(C(=O)NCCOC)c3)C2)cc(n(C)c1C)c1ccc(cc1)F	EMOLS-id_316331322,MCULE-8968037935	439.483	CVPZOYBCGMRODS-KRWDZBQOSA-N	00000010110000110001100010000000000000000000000000000000	25-01-139065
COCCNC(=O)c1cnn2c1CC(C2)NC(=O)c1cc(n(c1C)C)c1ccc(cc1)F	MCULE-7152792646	439.483	WDPNLYRLMYRZPC-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-139066
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)OCC)n2)sc2c(CCC2)c1C(=O)OC	PC-id_16447281,MCULE-1268421888,EMOLS-id_9847594,CoCoCo_6264150,ZINC22_12062546	439.484	YVXNWZIPBBLQGG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139067
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cnc(cc1)OCCc1ccccc1	PC-id_89238865,SCHEMBL14057697	439.484	UZWOLGHJHKJKHG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-139068
CCOc1cc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)ccc1O	EMOLS-id_324926983	439.484	JWWCKMUIESXDAM-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139069
CCOc1cc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)ccc1OC	EMOLS-id_324872705	439.484	QFOPETKNTGVOLB-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139070
CCOc1cc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)ccc1OC	EMOLS-id_324874756	439.484	IYILEQKMZOUYHV-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139071
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1OC	EMOLS-id_324871682	439.484	UJJALKGKYOUNFX-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139072
CCOc1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1OC	EMOLS-id_324877828	439.484	KYIWUBSFMKVBSX-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139073
CCOc1cccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)c1O	EMOLS-id_324926986	439.484	NEWGVZHYCVFNLE-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139074
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(OC)c4OC)/c(=O)n3n2)cc1	EMOLS-id_324881925	439.484	AWJXZCVCRWFONA-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139075
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(OCC)c4O)/c(=O)n3n2)cc1	EMOLS-id_324879877	439.484	DUMBYBUCIKPWMD-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139076
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(OC)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324878338	439.484	WPZGEHWATNMWRO-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139077
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(O)c(OCC)c4)/c(=O)n3n2)cc1	EMOLS-id_324879874	439.484	CDLZQUOPISTICZ-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139078
CCOc1ccc(OCc2nc3s/c(=Cc4cc(OC)ccc4OC)/c(=O)n3n2)cc1	EMOLS-id_324878342	439.484	ZEOWEXDPDDHXGT-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139079
Cn1nc(c(C#N)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1F	MCULE-7758040658,EMOLS-id_328222845	439.484	GEMAGBOBCCXBCJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139080
COc1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324849404	439.484	MMXMQAUIQAGJGX-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-139081
COc1cc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324867589	439.484	FTDSNOZRPONRLL-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139082
COc1ccc(Cc2nc3s/c(=Cc4cccc(OC)c4OC)/c(=O)n3n2)cc1OC	EMOLS-id_324924939	439.484	VLTROBQIYWUXHX-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139083
COc1ccc(Cc2nc3s/c(=Cc4ccc(OC)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324925447	439.484	DUOLYYUYKNGMKH-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139084
COc1ccc(CCc2nc3s/c(=Cc4ccc(O)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324890633	439.484	DWBDWEUFNPPRND-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139085
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(O)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324891136	439.484	JDWPKEFVHQKGQT-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139086
COc1ccc(OC)c(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)c1	EMOLS-id_324925451	439.484	AWAPRJPJRYCBQD-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139087
COC(=O)c1cccc(S(=O)(=O)Nc2nc3n(c2C(=O)c2ccc(C)cc2)CCC3)c1	EMOLS-id_49940266,PC-id_86792161,ZINC22_170595633,MCULE-2872549329	439.484	DOXIDEQDIJFRFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139088
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-9819960954	439.484	AWAPRJPJRYCBQD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139089
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1ccc(cc1)OCC	MCULE-1197066595	439.484	ZEOWEXDPDDHXGT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139090
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-5832809792	439.484	VLTROBQIYWUXHX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139091
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1ccc(cc1)OCC	MCULE-7632636395	439.484	AWJXZCVCRWFONA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139092
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-9138436526	439.484	NEWGVZHYCVFNLE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139093
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1ccc(cc1)OCC	MCULE-6796976203	439.484	DUMBYBUCIKPWMD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139094
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1ccccc1OC	MCULE-7400944898	439.484	UJJALKGKYOUNFX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139095
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1cccc(OC)c1	MCULE-1552316856	439.484	KYIWUBSFMKVBSX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139096
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-8452640828	439.484	DUOLYYUYKNGMKH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139097
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-5254240435	439.484	WPZGEHWATNMWRO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139098
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1ccccc1OC	MCULE-2372531036	439.484	QFOPETKNTGVOLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139099
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1cccc(OC)c1	MCULE-4142758913	439.484	IYILEQKMZOUYHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139100
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-1289906712	439.484	DWBDWEUFNPPRND-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139101
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-1577871317	439.484	JDWPKEFVHQKGQT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139102
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-3939604668	439.484	JWWCKMUIESXDAM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139103
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-9724269392	439.484	CDLZQUOPISTICZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139104
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)CCOc1ccccc1	MCULE-1572080112	439.484	MMXMQAUIQAGJGX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139105
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1ccc(cc1)C	MCULE-3714941573	439.484	FTDSNOZRPONRLL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139106
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2NCc2ccco2)sc2c1CCC2	ZINC22_9120785,EMOLS-id_3373353,MCULE-8184001805,CoCoCo_3635797,PC-id_4782379	439.484	ZGNNZEJVEGHUGK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139107
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(Cc2ccccc2)c(=O)n(c1=O)C)N	PC-id_3428838	439.484	QJEPLBXECKXBGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139108
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(c2ccccc2)cn1)C(=O)N	PC-id_42295843	439.484	MEUHHXGJQUVGHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139109
CC(=O)c1ccc(c2ccc(/C=c/3sc4nc(/C=C/c5ccccc5)nn4c3=O)o2)cc1	ZINC22_16807455,EMOLS-id_45970430	439.486	RQMILXOSGILKCW-LKEJKRFJSA-N	00000000101000110001100010000000000000000000000000000000	25-01-139110
CC(=O)c1ccc(c2ccc(C=c3sc4nc(/C=C/c5ccccc5)nn4c3=O)o2)cc1	ZINC22_254556477	439.486	RQMILXOSGILKCW-LZUNSQABSA-N	00000000101000110001100010000000000000000000000000000000	25-01-139111
CCOC(=O)c1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)sc2CCCc12	EMOLS-id_328083222,MCULE-5836886949	439.486	BKMISOAFKZHSAU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139112
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1ncncc1F)C	PC-id_67008228,SCHEMBL1369102	439.486	YZTCJPKXCNVMFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139113
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncncc3F)[nH]nc2C1(C)C)c1ccccc1	BindingDB-id_218970,BindingDB_PC-id_59474150,SCHEMBL1369099,PC-id_59474150	439.486	YZTCJPKXCNVMFY-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139114
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccccc1	MCULE-4982821789	439.486	RQMILXOSGILKCW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-139115
c12NC(=O)C(CC(=O)Nc3ccc(cc3OC)OC)n1nc(SCc1ccccc1)n2	EMOLS-id_17099961,STOCK6S-46661,MCULE-8189124134,PC-id_135629902	439.488	NAAFALIHEODUKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139116
c12NC(=O)C(CC(=O)Nc3c(OC)ccc(OC)c3)n1nc(SCc1ccccc1)n2	EMOLS-id_17097839,STOCK6S-45216,PC-id_135629905,MCULE-3951816657	439.488	GVWMEJGAHUTKOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139117
c1(NC(=O)COc2cccnc2NC(=O)N2CCC(=O)CC2)sc2c(CCC2)c1C#N	MCULE-7102064757,EMOLS-id_321858234	439.488	VJWAFGLWNVNIGQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139118
CC(=O)Nc1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2914043,PC-id_68439037	439.488	NDELFQYHGYLKTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139119
CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251760	439.488	VNLDSIMCUSYRPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139120
CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2918170,PC-id_68440541	439.488	FSJSRFSOJSKVBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139121
CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2914045,PC-id_68439038	439.488	KKAZXCCMAQLUHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139122
CC(=O)Nc1ccc(cc1)CS(=O)(=O)N1Cc2c(C1)c(n[nH]2)NC(=O)c1ccccc1	PC-id_141417104	439.488	GEKWXEVENWXCRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139123
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(SCc4ccccc4)nn23)c(OC)c1	ZINC22_13690490,PC-id_135924972	439.488	NAAFALIHEODUKH-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139124
COc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(SCc4ccccc4)nn23)c(OC)c1	ZINC22_13690491,PC-id_135924973	439.488	NAAFALIHEODUKH-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139125
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)Nc3nc(SCc4ccccc4)nn23)c1	PC-id_135924907,ZINC22_13688338	439.488	GVWMEJGAHUTKOE-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139126
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)Nc3nc(SCc4ccccc4)nn23)c1	ZINC22_13688335,PC-id_135924906	439.488	GVWMEJGAHUTKOE-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139127
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(n2nc(cc2C)C)nc1)C(=O)N	PC-id_55644757	439.488	PJYVTBHZPHIRDZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-139128
s1c2c(CCC2)c(c1Nc1nc(NCc2ccc(cc2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127496	439.491	MFFGMPZPTWMBEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139129
s1c2c(CCC2)c(c1Nc1nc(NC(c2ccccc2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787944	439.491	CSDBVPCAOGLKEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139130
s1c2c(CCC2)c(c1Nc1nc(NCCc2ccccc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127488	439.491	AWWHYLOWEPORJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139131
s1c2c(CCC2)c(c1Nc1nc(N[C@H](c2ccccc2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127485	439.491	CSDBVPCAOGLKEA-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-139132
s1c2c(CCC2)c(c1Nc1nc(N[C@@H](c2ccccc2)C)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127486	439.491	CSDBVPCAOGLKEA-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139133
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1ccc(OC(F)F)cc1)C)C(=O)OCC	PC-id_2496900	439.496	CGXFRGKKFFPQEB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-139134
c12c(CCC1C(=O)NCCc1ccccc1OC)sc(NC(=O)c1ccc(cc1)F)n2	MCULE-6792981115,Chemmine_45419,PC-id_16947227,EMOLS-id_12346515	439.502	KBIVZEAFTPGJPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139135
c12c(CCC1C(=O)NCCc1ccc(cc1)OC)sc(NC(=O)c1ccc(cc1)F)n2	PC-id_16947229,EMOLS-id_12346519,MCULE-6205981800	439.502	IESVLNKTSLGBTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139136
c12c(CCC1C(=O)NCCc1cccc(OC)c1)sc(NC(=O)c1ccc(cc1)F)n2	EMOLS-id_12346667,MCULE-8877374253,Chemmine_45421,PC-id_16947303	439.502	CYAUTUCXZHVDKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139137
c1(NC(=O)C(C)Oc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-4825663340,PC-id_18883998	439.502	AVGCTJDBSKQQIF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-139138
c1(NC(=O)C(C)Oc2ccccc2F)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883997,TIMTEC385580,MCULE-9521096413,EMOLS-id_9388399	439.502	PPUOOMZPTNOWLK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-139139
CCCOc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1OCC	EMOLS-id_324838642	439.502	PYHYQPNPXMXKBW-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139140
C[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2	ZINC22_27793825,PC-id_35180907,CoCoCo_6376966	439.502	PPUOOMZPTNOWLK-CQSZACIVSA-N	00000010100000111000000010000000000000000000000000000000	25-01-139141
C[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2	ZINC22_27793828,PC-id_35180909,CoCoCo_6376967	439.502	PPUOOMZPTNOWLK-AWEZNQCLSA-N	00000010100000111000000010000000000000000000000000000000	25-01-139142
COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc12	CoCoCo_5124762,ZINC22_9131541,PC-id_40945474	439.502	KBIVZEAFTPGJPI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139143
COc1ccccc1CCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc12	PC-id_40945475,CoCoCo_5124763,ZINC22_9131542	439.502	KBIVZEAFTPGJPI-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139144
COc1cccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)c1	PC-id_40945624,CoCoCo_5124792,ZINC22_9131695	439.502	CYAUTUCXZHVDKY-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139145
COc1cccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)c1	ZINC22_9131696,CoCoCo_5124793,PC-id_40945625	439.502	CYAUTUCXZHVDKY-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139146
COc1ccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)cc1	ZINC22_9131545,CoCoCo_5124764,PC-id_40945478	439.502	IESVLNKTSLGBTI-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139147
COc1ccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)cc1	ZINC22_9131546,PC-id_40945479,CoCoCo_5124765	439.502	IESVLNKTSLGBTI-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139148
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC1CC1)S(=O)(=O)C	SCHEMBL17214209,PC-id_118479361	439.502	SDRIMEMBRUGFNL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-139149
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cnn2CC1CC1)S(=O)(=O)C	SCHEMBL17214299,PC-id_118479451	439.502	OZIRJRFFGYQRHX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-139150
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)Cc1ccc(F)cc1	MCULE-9726976397	439.502	PYHYQPNPXMXKBW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139151
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_74551775	439.504	MOWVXZNBTQZMDZ-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139152
s1c2c(CCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_74551773	439.504	FPZFWZSFRGEOFJ-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139153
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_28248227	439.504	MOWVXZNBTQZMDZ-CVEARBPZSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139154
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_28248229	439.504	MOWVXZNBTQZMDZ-HOTGVXAUSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139155
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_28248231	439.504	MOWVXZNBTQZMDZ-HZPDHXFCSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139156
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_28248233	439.504	MOWVXZNBTQZMDZ-JKSUJKDBSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139157
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_28248215	439.504	FPZFWZSFRGEOFJ-KGLIPLIRSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139158
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_28248217	439.504	FPZFWZSFRGEOFJ-KBPBESRZSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139159
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_28248219	439.504	FPZFWZSFRGEOFJ-ZIAGYGMSSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139160
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_28248221	439.504	FPZFWZSFRGEOFJ-UONOGXRCSA-M	00000010100011110000000010000000000000000000000000000000	25-01-139161
O=C(c1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccccc1	PC-id_92109291	439.506	HLKDWFNHSNNGIT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139162
OC(=O)Cc1ccc(cc1)S(=O)(=O)Nc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_144742186	439.506	HMPIHWPEBIBONU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139163
c1(NC(=O)c2noc(c3cccs3)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_29766487,EMOLS-id_13124385,ZINC22_21786027,CoCoCo_2254796,MCULE-6923828888,TIMTEC146098	439.507	FIOYXNIFJWWATO-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-139164
C/C(=N/S(=O)(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C#N)CCC4)o2)cc1)/O	EMOLS-id_313834889,ZINC22_59186053	439.507	DHQWLVWAEGZTKR-FSJBWODESA-N	00000010101000110000100010000000000000000000000000000000	25-01-139165
CCOc1cc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OC(=O)C	ZINC22_27021994,EMOLS-id_45970270	439.507	WCZBRSLEOJDXQT-FHZYVREQSA-N	00000000100100110001000010000000000000000000000000000000	25-01-139166
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)C=Cc1cccs1	MCULE-7827190094	439.507	WCZBRSLEOJDXQT-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-139167
S(=O)(=O)(c1ccc(cc1)c1ccc(C=Nc2sc3c(CCC3)c2C#N)o1)NC(=O)C	MCULE-2496570230	439.507	DHQWLVWAEGZTKR-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-139168
c1(NC(=O)CSc2nnc(c(=O)[nH]2)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322524784,MCULE-2269623898	439.511	JXGCJIDIIWMHLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139169
CC1CN(CCN1C(=O)N1Cc2c(C1=C)[nH]nc2NC(=O)c1ccccn1)CCCOC	PC-id_89229040	439.511	WVTJXTFUGKVZKD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139170
CCCCNC(=O)NN1Cc2c(C1)[nH]nc2N(c1ccc(cc1)N1CCCC1=O)C(=O)C	PC-id_68640528,SCHEMBL3432471	439.511	CIELWSYECRGHCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139171
CCCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1=O	SCHEMBL2925306,PC-id_68443183	439.511	TVBGINHUWGGKBX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139172
CCCCN(N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1=O)C(=O)N	SCHEMBL4245677,PC-id_68973064	439.511	QZIIFEKJPGQFLT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139173
COc1ccccc1OCc1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324869134	439.511	LENNWKIXKHELQZ-PXNMLYILSA-N	00000000100000110001000110000000000000000000000000000000	25-01-139174
COc1cccc(OCc2nc3s/c(=Cc4c(C)nc5scc(C)n45)/c(=O)n3n2)c1	EMOLS-id_324875265	439.511	YIBMBQKHNHJIOO-PXNMLYILSA-N	00000000100000110001000110000000000000000000000000000000	25-01-139175
COCCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1=C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL14038487	439.511	WVTJXTFUGKVZKD-HNNXBMFYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139176
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1ccccc1OC	MCULE-3309718822	439.511	LENNWKIXKHELQZ-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-139177
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1cccc(OC)c1	MCULE-2877755758	439.511	YIBMBQKHNHJIOO-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-139178
N#Cc1c(NC(=O)CSc2n[nH]c(n2)N/N=C/c2cccc(c2)O)sc2c1CCC2	GD-id_ZINC20906425	439.514	HVTUCDCEUHGKCX-ZVBGSRNCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139179
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1)C(=O)OCC	PC-id_41274424	439.521	PMPKBLJNURMMLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139180
CCOC(=O)c1c(NC(=O)C(CCC(=O)N)NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_328233024,MCULE-9836302740	439.526	LHNADBZISHWPQJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139181
c1(c2CCCc2sc1NC(=O)CNCc1ccco1)C(=O)Nc1ccccc1OCC	PC-id_1328706,CHEMBL1348089,ZINC22_6552815,EMOLS-id_42641291,ChEMBL-DNDi_CHEMBL1348089,MCULE-5975353172	439.527	LLPMFMXTTPNIGQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139182
c1(NC(=O)C2CC(=O)N(CCc3ccc(c(OC)c3)OC)C2)sc2c(CCC2)c1C#N	MCULE-5856926302,EMOLS-id_322627392	439.527	VYJJWLHDAKRGAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139183
c1(NC(=O)COC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	PC-id_1638326,ZINC22_1904773,EMOLS-id_6258043,MCULE-3420384298	439.527	ZMGKUMFBVHLMSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139184
CC1(C)SC2[C@H](NC(=O)c3cc4CCCc4n3Cc3ccccc3)C(=O)N2[C@H]1C(=O)O	EMOLS-id_328215160,MCULE-2152899942	439.527	FPJJZHBGNFSOBV-IZKAZRHKSA-N	00001010100000110001001010000000000000000000000000000000	25-01-139185
COc1cccc(/C=C/Sc3scc(CC(=O)Nc4ccccc4C)[n+]3C2=O)c1O	MCULE-3464207997,ZINC22_33596498,PC-id_3483399,SPECS-id_AT-225/NB51367	439.527	YHYCMWQPKRCMKK-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-139186
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/1CCC(CC1)c1ccccc1)C(=O)OC	PC-id_4045097	439.527	IUSFXRDGZSUHRX-XYGWBWBKSA-N	00000010100010110000100010000000000000000000000000000000	25-01-139187
Cc1ccc(COc2ccccc2/C=c/2sc3nnc(Cc4ccccc4)n3c2=O)cc1	ZINC22_9187918	439.529	FVOARHNRLMIPQI-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139188
Cc1ccc(COc2ccc(/C=c/3sc4nnc(Cc5ccccc5)n4c3=O)cc2)cc1	ZINC22_13547106	439.529	QAFZSPYXIDJISS-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139189
Cc1ccc(O)c(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324833015	439.529	ARMOLGUTZFGTJH-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139190
C[C@@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_58690128	439.529	LTLFIWQZXKLRDG-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-139191
C[C@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_915392268	439.529	LTLFIWQZXKLRDG-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-139192
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324823544	439.529	WQNKEFONIKLSOZ-XLNRJJMWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139193
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324824572	439.529	JZZQCZMICKPDQW-XLNRJJMWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139194
COc1ccccc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324831475	439.529	IRLCJCXNRLDXGW-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139195
COc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324829938	439.529	RTXQCGXIQPSHGE-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139196
COc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324832499	439.529	WRHHHOUXBBLGGQ-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139197
n12c(=O)c(=Cc3ccc(cc3)OCC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-5319685923	439.529	WQNKEFONIKLSOZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139198
n12c(=O)c(=Cc3cccc(OCC)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-4431935944	439.529	JZZQCZMICKPDQW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139199
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CCc1ccccc1	MCULE-5178102840	439.529	HCFHBKIQNGVGED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139200
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3780784459	439.529	IRLCJCXNRLDXGW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139201
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-7186836472	439.529	RTXQCGXIQPSHGE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139202
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-4427465281	439.529	ARMOLGUTZFGTJH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139203
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-2955579995	439.529	WRHHHOUXBBLGGQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139204
N#Cc1c(NC(=O)C(OC(=O)CNS(=O)(=O)c2cccs2)C)sc2c1CCC2	EMOLS-id_316865719,MCULE-4325451474	439.529	LTLFIWQZXKLRDG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-139205
O=c1n2nc(CCc3ccccc3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324838652	439.529	HCFHBKIQNGVGED-QJOMJCCJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139206
O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(s2)C(=O)NC(c1ccccc1)Cc1ccccc1	SCHEMBL7146659	439.529	FDWLUWTYHCQVSI-HKWRFOASSA-N	00000010110000110000000010000000000000000000000000000000	25-01-139207
O=C1Nc2c(/C/1=Cc1ccc[nH]1)cc(s2)C(=O)NCC(c1ccccc1)c1ccccc1	SCHEMBL7146660,PC-id_70003777	439.529	CPNGKFZHWBYJLG-XSFVSMFZSA-N	00000010110000110000000010000000000000000000000000000000	25-01-139208
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)NCC)C(=O)O	PC-id_19978620	439.529	FXHYCYFARPOYFG-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-139209
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)N(C)C)C(=O)O	PC-id_85103285	439.529	CJKQYIZWJLKIOT-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-139210
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NC(Cc1ccccc1)c1ccccc1	PC-id_18627023	439.529	FDWLUWTYHCQVSI-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-139211
s1c2NC(=O)C(=Cc3[nH]ccc3)c2cc1C(=O)NCC(c1ccccc1)c1ccccc1	PC-id_77758071	439.529	CPNGKFZHWBYJLG-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-139212
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@H]1CCn2c1c[n+](c2)CC(=O)N(C)C)C(=O)O	PC-id_10048773	439.529	CJKQYIZWJLKIOT-MVQPRLOUSA-O	00001011100000000001001010000000000000000000000000000000	25-01-139213
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(SC)ccc1	PC-id_16947949	439.55	MNNVJRIJJZFXBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139252
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1S[C@@H]1CCn2c1c[n+](c2)CC(=O)N(C)C)C(=O)O	PC-id_10048775	439.529	CJKQYIZWJLKIOT-QBTOZTBISA-O	00001011100000000001001010000000000000000000000000000000	25-01-139214
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)NCC)C(=O)O	PC-id_18641515	439.529	FXHYCYFARPOYFG-AACLDEMPSA-O	00001011100000000001001010000000000000000000000000000000	25-01-139215
c1(NC(=O)COc2cccnc2NC(=O)N2CCC(CC2)C)sc2c(CCC2)c1C#N	MCULE-1550810365,EMOLS-id_321858488	439.531	IGWFZQWVIPFJAZ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139216
c1(NC(=O)COc2cccnc2NC(=O)N2CCCCC2C)sc2c(CCC2)c1C#N	MCULE-2986616906,EMOLS-id_321855929	439.531	WHJWFOGTGDZTDZ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139217
c1(NC(=O)COc2cccnc2NC(=O)N2CCCCCC2)sc2c(CCC2)c1C#N	MCULE-6574514500,EMOLS-id_321856184	439.531	IMQXWXBOUUAOFO-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-139218
c1(NC(=O)COc2cccnc2NC(=O)N2CCCC(C)C2)sc2c(CCC2)c1C#N	MCULE-8836084115,EMOLS-id_321857976	439.531	ZOOZUEPRWUMQJS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139219
c1(NC(=O)COc2cccnc2NC(=O)NC2CCCCC2)sc2c(CCC2)c1C#N	MCULE-4976529138,EMOLS-id_321804412	439.531	MTCJRFFULMMQJJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139220
CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c1	ZINC22_170611401,PC-id_86819588,MCULE-5390235607,EMOLS-id_49980134	439.531	YDLJIRXEHPGIIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139221
CN(c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1)C	SCHEMBL4285353,PC-id_24751043	439.531	FBSXNZRINLBIHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139222
O=C(c1ccc(cc1)N(C)C)Nc1nn(c2c1CNC2(C)C)S(=O)(=O)c1ccccc1	SCHEMBL4285359,PC-id_68986844	439.531	UNKFNMZEVAQNBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139223
S(=O)(=O)(N(CCC(=O)NCc1n2CCCc2nn1)c1ccccc1)c1ccc(cc1)C	PC-id_52550841	439.531	ZTXSZDDLQJCIBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139224
c1(NC(=O)CS(=O)CC(=O)Nc2nnc(COC)s2)sc2c(CCC2)c1C#N	EMOLS-id_320643317,MCULE-6247109406	439.532	UMKGANKEZUEMRE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139225
CCCc1cc(n[nH]c1=O)c1ccc(c(c1C)NC(=O)c1sc2c(c1)CC(C2)(C)C)F	PC-id_143997080	439.546	SEGSZUIAZILSDI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139226
CCC(N1Cc2c(S1(=O)=O)cc(s2)/C=C/c1ccc(cc1)c1ccccc1)C(=O)O	SCHEMBL8018472,PC-id_57791515	439.547	BNXHBVOXSTUBOH-JLHYYAGUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139227
CCC(N1Cc2c(S1(=O)=O)sc(c2)C=Cc1ccc(cc1)c1ccccc1)C(=O)O	SCHEMBL8029913,PC-id_70258856	439.547	HPLUVKJQWAIHOK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139228
COc1cc(/C=C/C(=O)N(C2CCCC2)Cc2nn(c3c2CCC3)C)cc(c1OC)OC	PC-id_117054885	439.547	STHRLUFWPRPDFP-OUKQBFOZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139229
COc1cc(C=CC(=O)N(C2CCCC2)Cc2nn(c3c2CCC3)C)cc(c1OC)OC	PC-id_92109794	439.547	STHRLUFWPRPDFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139230
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_74551782	439.547	IZXOFHOHHWROPP-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139231
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_28248285	439.547	IZXOFHOHHWROPP-SJORKVTESA-M	00000010100010110000000010000000000000000000000000000000	25-01-139232
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_28248287	439.547	IZXOFHOHHWROPP-IRXDYDNUSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139233
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_28248289	439.547	IZXOFHOHHWROPP-IAGOWNOFSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139234
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NCc1ccc(cc1)C	PC-id_28248291	439.547	IZXOFHOHHWROPP-DLBZAZTESA-M	00000010100010110000000010000000000000000000000000000000	25-01-139235
S1(=O)(=O)N(Cc2c1sc(c2)/C=C/c1ccc(cc1)c1ccccc1)C(CC)C(=O)O	PC-id_57791550	439.547	HPLUVKJQWAIHOK-JLHYYAGUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139236
S1(=O)(=O)N(Cc2sc(cc12)C=Cc1ccc(cc1)c1ccccc1)C(CC)C(=O)O	PC-id_76606576	439.547	BNXHBVOXSTUBOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139237
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC(c1ccccc1)c1ccccc1	PC-id_92109409	439.549	OXDLWCDSZVCRSE-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139238
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OCC	ZINC22_27022364,EMOLS-id_45970398	439.55	LNQMMPBIPCBMDW-NNEYTCFUSA-N	00000000100100110001000010000000000000000000000000000000	25-01-139239
CCOC(=O)c1c(/C=C(CSc2ncc(nn2)c2ccccc2)/O)sc2c1CCC2	CoCoCo_6295409,CoCoCo_6295408	439.55	HQPXDRBTIQITPL-RVDMUPIBSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139240
CCOC(=O)c1c(/C=C(/CSc2ncc(nn2)c2ccccc2)O)sc2c1CCC2	CoCoCo_6295410,CoCoCo_6295407	439.55	HQPXDRBTIQITPL-PTNGSMBKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139241
CCOC(=O)c1c(C/C(=CSc2ncc(nn2)c2ccccc2)/O)sc2c1CCC2	CoCoCo_6295412,CoCoCo_6295413	439.55	FQZNPJZCYREOKL-FYWRMAATSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139242
CCOC(=O)c1c(C/C(=C/Sc2ncc(nn2)c2ccccc2)/O)sc2c1CCC2	CoCoCo_6295414,CoCoCo_6295411	439.55	FQZNPJZCYREOKL-SQFISAMPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139243
CCOC(=O)c1c(CC(=O)CSc2ncc(nn2)c2ccccc2)sc2c1CCC2	PC-id_16473497,CoCoCo_6295406	439.55	GFYQYYGVRGNRQN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139244
COc1ccc(CCc2nc3s/c(=Cc4ccc(SC)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324892683	439.55	MPSZZTNAUFGINO-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139245
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(SC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324893186	439.55	MRGKBGFJHFAZRA-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-139246
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)CCCOc1ccc(OC)cc1	MCULE-5435979614	439.55	MRGKBGFJHFAZRA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139247
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCC)c2=O)C=Cc1cccs1	MCULE-4048036972	439.55	WTDHKDDRNPUKAF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-139248
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)C=Cc1cccs1	MCULE-8281799074	439.55	BMJQIRJKAJXKBW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-139249
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)C=Cc1cccs1	MCULE-3680241837	439.55	LNQMMPBIPCBMDW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-139250
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3355076249	439.55	MPSZZTNAUFGINO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139251
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(SC)cccc1	PC-id_16947891	439.55	LVNXOZTUWINACB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139253
c1(cc2n(C[C@@H](Oc3ccncc3)C2)n1)C(=O)N(C1CCN(CC1)C(=O)C)CCC(C)C	EMOLS-id_316322109,MCULE-8963041735	439.551	MBBRSQICEKTPLU-QFIPXVFZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139254
c1(C(=O)N2CCN(CC2)CCOc2cccc(c2)CN2CCOCC2)c2CCCc2[nH]n1	PC-id_28464487,CoCoCo_1506717,ZINC22_19939208,MCULE-3093586822,EMOLS-id_20658383,CoCoCo_1506716	439.551	GANKOYXEUBOMPW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139255
CC(CCN(C(=O)c1nn2c(c1)CC(C2)Oc1ccncc1)C1CCN(CC1)C(=O)C)C	MCULE-1648549364	439.551	MBBRSQICEKTPLU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139256
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCC1)C	PC-id_66941223,SCHEMBL1204629	439.551	LUAXBTGAZZQSLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139257
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCC1)C	SCHEMBL1204625,PC-id_24765996	439.551	LUAXBTGAZZQSLD-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139258
CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_19739185	439.551	JBZCUHNKSDAPBU-XMMPIXPASA-N	00000010100010000001100010000000000000000000000000000000	25-01-139259
CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1	ZINC22_19739186	439.551	JBZCUHNKSDAPBU-DEOSSOPVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-139260
CN(C(=O)C1(CCN(C1)C(=O)c1n[nH]c2c1CCC2)Cc1onc(c1)C1CCCCC1)C	MCULE-3698379239	439.551	JBZCUHNKSDAPBU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-139261
c1(NC(=O)CSc2ccncc2)c2CSCc2nn1CC(=O)NCc1ccccc1	PC-id_30862715,CoCoCo_5277753,EMOLS-id_24913519,ZINC22_23139473,MCULE-9819599133	439.554	LQKDJWNSSUVVFV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-139262
CC1CN(C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C)C(C)C	PC-id_91400945	439.554	LKRMSJJGTDPOFM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139263
CCCCC1(C)N(Cc2c1[nH]nc2NC(=O)c1ccccn1)C(=O)N1CCN(CC1C)C	PC-id_145493421	439.554	MZIOEVKEORHVCN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139264
CCCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508317,SCHEMBL6377790	439.554	KWJVYDRHURRDLJ-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139265
CCCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)C(c1ccc(cc1)N1CCCC1)C	SCHEMBL2923402,PC-id_68442383	439.554	XQNXWBLNRGEMPP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139266
CC([C@H]1CNC(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)(C)C)C	SCHEMBL10076812,PC-id_59508273	439.554	ROHHNLBWLPDLSW-QGZVFWFLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139267
CCCN1CC(C)N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_122626052,SCHEMBL18155590	439.554	CBSVWMSXVGCVSP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139268
CCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_66738901,SCHEMBL597432	439.554	CBSVWMSXVGCVSP-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139269
CCCN1C[C@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL596973,PC-id_66738806	439.554	CBSVWMSXVGCVSP-HOTGVXAUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139270
BrC1CC(Br)c2c1c(Br)sc2Br	PC-id_73078227	439.788	IKESWEOGHPMERW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139309
CCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)CC)[nH]nc2NC(=O)c1ccccn1	PC-id_59508369,SCHEMBL6377612	439.554	CEHQBJBCJBETSE-GZWBLTSWSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139271
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccccc1	ZINC22_3372896,CoCoCo_2821634,PC-id_2490663,SCHEMBL21045544,EMOLS-id_3291210,MCULE-3126990113	439.554	HQQYKKSYHHFLBC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139272
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1=NCCC=C1)CC1CC1	SCHEMBL14038461,PC-id_71053213	439.554	BDKNPWNMEXPTBE-HNNXBMFYSA-N	00100010100011000001000010000000000000000000000000000000	25-01-139273
COCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccccc1	EMOLS-id_11888481,CoCoCo_2890819,ZINC22_9365131,PC-id_17547911,MCULE-3769373766	439.554	DZWRILNVBVPKIB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139274
O=C(N1C(CN(CC2CC2)CC1)C)N1C(c2[nH]nc(NC(=O)C3=NCCC=C3)c2C1)(C)C	PC-id_77996749	439.554	BDKNPWNMEXPTBE-UHFFFAOYSA-N	00100010100011000001000010000000000000000000000000000000	25-01-139275
O(C(=O)Nc1c(NN=C2C(=Nn3c2nnc3C)C(C)(C)C)cc(C(C)(C)C)cc1)C(C)C	PC-id_59247752	439.554	XEJUDFWAHUGWQC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-139276
CCCCCC1C(Cc2c1nc(s2)CS(=O)(=O)c1cccc(c1)F)CC(=O)OC	PC-id_91300166	439.564	YKZBKFIOFIBDPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139277
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)CCCC)C2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329048,MCULE-3219138380	439.57	DUURLISFSLWQJZ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139278
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c(CCC2)c1C(=O)NC	MCULE-1327215476,EMOLS-id_334330584	439.57	CEQNQJGHFCMBDE-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139279
c1(NC(=O)C2CC(=O)N(C(C)C)C2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330791,MCULE-4357190556	439.57	CDZHUSBDWKNNJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139280
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)C(=O)OC	PC-id_22199784	439.57	GOLJQACPSFDSKX-RMKNXTFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139281
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)C(=O)OC	PC-id_73875713	439.57	GOLJQACPSFDSKX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139282
NC(=O)c1c(NC(=O)C2CCCCN2S(=O)(=O)c2cccs2)sc2CCCc12	EMOLS-id_12038648,PC-id_16826356,MCULE-6776131993	439.572	YBXISMHFHPQCBF-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-139283
NC(=O)c1c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)sc2CCCc12	ZINC22_15882785,EMOLS-id_22740201,PC-id_26843675,MCULE-8214946839,CoCoCo_2590314	439.572	HYOYQJUHMOYLJH-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-139284
NC(=O)c1c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)sc2c1CCC2	PC-id_41166704,ZINC22_9664065,CoCoCo_5099191	439.572	YBXISMHFHPQCBF-LBPRGKRZSA-N	00000010100110000000000010000000000000000000000000000000	25-01-139285
NC(=O)c1c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)sc2c1CCC2	ZINC22_9664061,CoCoCo_5099190,PC-id_41166702	439.572	YBXISMHFHPQCBF-GFCCVEGCSA-N	00000010100110000000000010000000000000000000000000000000	25-01-139286
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NCC)cc1)C(=O)OC	PC-id_19680567	439.572	OSQABEJKPCDUBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139287
S(=O)(=O)(N1CCCCC1)c1c(scc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_24654567	439.572	VIESTTXHWWEFOA-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-139288
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1sccc1	PC-id_44027173	439.572	KAAUNYAPIZZAPB-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-139289
c1(C(=O)N(C)CCOc2ccc(cc2)CN(C)Cc2csc(C)n2)c2CCCc2[nH]n1	EMOLS-id_68938068,MCULE-9114920270,PC-id_118758843	439.574	UJCUNBBZTOIMFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139290
NC(=O)c1c(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)sc2c1CCC2	PC-id_41213935,CoCoCo_4299273,ZINC22_9789045	439.575	QVLNGGWXYAZRJH-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-139291
NC(=O)c1c(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)sc2c1CCC2	PC-id_41213936,ZINC22_9789046,CoCoCo_4299272	439.575	QVLNGGWXYAZRJH-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139292
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnc(s1)NCC1CCCO1	EMOLS-id_11772991,MCULE-9177713079,PC-id_16333800	439.575	QVLNGGWXYAZRJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139293
CCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)OC(C)C	PC-id_20351653,SCHEMBL11600534	439.587	ADJXSLKPRDVATP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139294
O=C(Nc1nc2c(s1)CCC2)CN1CCN(CC1)Cc1csc(n1)c1ccccc1	PC-id_87015456	439.597	UGNFVHTWVDAKQO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139295
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884049,MCULE-4323263644	439.613	XRMFOJMCBGFMRZ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139296
CC(C(CNC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)O)C	SCHEMBL19537111	439.615	MZJZFUQDKPMKMG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-139297
OCC(C(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19312169	439.615	AOUKWHMGKXZVNU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-139298
c1(NC(=O)CSc2scc(c3ccc(cc3)C(C)C)n2)sc2c(CCC2)c1C#N	MCULE-3765370039,EMOLS-id_324903698	439.617	JQJJXIJQSGPUPJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139299
Cc1ccc(cc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882957	439.626	IFDWBIREZFUQTM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-139300
Cc1cccc(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882993	439.626	VYCGEYWKUNIYIJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-139301
Cc1ccc(cc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C	PC-id_145210915	439.626	DBOYGMJGBIAQLQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-139302
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1C	PC-id_140882950	439.626	OOMCUXCUODWRRJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-139303
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N(c1ccccc1)C	PC-id_140882982	439.626	NXLUQLFLGLCSAX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-139304
c1(NC(=S)NNC(=O)CCCCCCCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-5841501764,CoCoCo_6797573,TIMTEC403014,PC-id_4508597,EMOLS-id_4126340	439.635	QJISTMWOTIQCGQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139305
Brc1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(Cl)cc1	PC-id_16524596	439.711	TZEQGEGWXCZARB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139306
c1(NC(=O)CCCOc2ccc(cc2Br)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322626882,MCULE-9555882080	439.754	KFDSONDVRNLCFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139307
c1(NC(=O)CCCOc2ccc(cc2Cl)Br)sc2c(CCC2)c1C#N	MCULE-9177167832,EMOLS-id_322629441	439.754	UNKQQSUFQWTXPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139308
O=C(Cc1[nH]c(=S)n2c1C(CC2)Cc1c(F)ccc(c1F)Cl)NCC(F)(F)F	SCHEMBL21136694,PC-id_139294190	439.831	DRFKEMYEYQITLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139313
c1(C(=O)N[C@@H]2CO[C@@H]([C@@H](O)[C@H]2O)Cn2cc(Cl)c(=O)[nH]c2=O)c2CCCc2n(C)n1	ZINC22_1615119275,EMOLS-id_316216688,MCULE-7995863359,LAS-73734563	439.85	OMVOTBRHJFKJQU-WAZAZEMKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-139314
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)c([N+](=O)[O-])cc1	PC-id_44053010	439.873	XTMFFUCNNMISNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139315
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)cc([N+](=O)[O-])cc1	PC-id_44053011	439.873	AXETXFAKZDVNOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139316
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)cc1	PC-id_44053012	439.873	NVAGFZZSWPDJJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139317
COC(=O)Cc1c(NC(=O)c2cc([NH2+]O)ccc2Cl)sc2c1C(CC2)C(=O)OC	PC-id_143029591	439.89	LUQZVAOXBYBINQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-139318
N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N)c2)sc2c1CCC2	PC-id_16287383,MCULE-8183076527,EMOLS-id_43757353,ZINC22_10021619,CoCoCo_3019184	439.893	JDMDEZOGFFUAPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139319
C1Cc2nnc(n2C1C(=O)NCCc1ccc(cc1)Cl)CNC(=O)Nc1cnccc1	PC-id_134788046	439.898	ZQWHLKRZRJBMOT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-139320
CC1(C)N(Cc2c(Nc3nc(N)nc(Cl)n3)[nH]nc12)C(=O)NC1CC1c1ccccc1	BindingDB-id_218898,BindingDB_PC-id_87235172,SCHEMBL1370406,PC-id_87235172	439.901	HCWDWDOSGSYGIZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-139321
Clc1nc(Nc2n[nH]c3C(N(C(=O)NC4[C@H](C4)c4ccccc4)Cc23)(C)C)nc(n1)N	SCHEMBL12143687,PC-id_59474236	439.901	HCWDWDOSGSYGIZ-JTDNENJMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-139322
Clc1nc(Nc2n[nH]c3C(N(C(=O)N[C@@H]4[C@H](C4)c4ccccc4)Cc23)(C)C)nc(n1)N	SCHEMBL15247502,PC-id_11704839	439.901	HCWDWDOSGSYGIZ-YPMHNXCESA-N	00100010100000110001100010000000000000000000000000000000	25-01-139323
Nc1nc(nc(n1)Cl)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL1370410	439.901	HCWDWDOSGSYGIZ-WCQYABFASA-N	00100010100000110001100010000000000000000000000000000000	25-01-139324
Clc1c(C(=O)NC2CCC(CC2)Cn2nc3c(c2C)CCC3)cc(cc1)C(F)(F)F	PC-id_67362007	439.902	UITYSKSTPYSBFO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139325
Clc1c(C(=O)NC2CCC(CC2)Cn2nc(c3c2CCC3)C)cc(cc1)C(F)(F)F	PC-id_53357660	439.902	DVAOSYWVHRGCFB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139326
O=C(c1cc(ccc1Cl)C(F)(F)F)N[C@@H]1CC[C@H](CC1)Cn1nc2c(c1C)CCC2	SCHEMBL2318377	439.902	UITYSKSTPYSBFO-KOMQPUFPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139327
O=C(c1cc(ccc1Cl)C(F)(F)F)N[C@@H]1CC[C@H](CC1)Cn1nc(c2c1CCC2)C	SCHEMBL2321456	439.902	DVAOSYWVHRGCFB-KOMQPUFPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139328
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(c(Cl)c2)F)sc2c(CCC2)c1C#N	MCULE-7784915237,EMOLS-id_320710218	439.911	SEXYAHVGZIWFOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139329
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(ccc2)C(=O)C)cc1	PC-id_16947418	439.915	QKBPYPDERRVJKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139330
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-6770807852	439.915	RFCZUVIBXLPEHG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139331
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CSc1ccc(cc1)Cl)C(=O)OC	PC-id_19204307,MCULE-6968349588	439.933	KXUOHUINTPIXNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139332
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(SC)cc1	PC-id_42016460	439.933	AVPHTLGOLRYSMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139333
c1(NC(=S)NNC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)OC	CoCoCo_6797562,TIMTEC429757,MCULE-8123028020,PC-id_4508443,EMOLS-id_4126550	439.936	RNHDTCLJHQFXNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139334
N#Cc1c(NC(=O)c2cc(S(=O)(=O)NCCCO)ccc2Cl)sc2c1CCC2	PC-id_44324186,CHEMBL328495,BindingDB_PC-id_44324186	439.936	GWEHAJJEDHZXED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139335
Cc1csc2nc(Cl)c(/C=c/3sc4nc(/C=C/c5ccc(C)cc5)nn4c3=O)n12	EMOLS-id_324918286	439.941	LKBJSDVAPWKJLD-YMOMHROCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-139336
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)C=Cc1ccc(cc1)C	MCULE-7939041837	439.941	LKBJSDVAPWKJLD-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-139337
c12c(CCC1C(=O)NCCc1ccc(cc1)Cl)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947628,EMOLS-id_12347317,MCULE-9106167452	439.958	OBICCJORSLAKQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139338
c1(c2CCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1cccc(Cl)c1	PC-id_1328368,CoCoCo_866199,MCULE-2753669931,EMOLS-id_2184664,ZINC22_16192873	439.958	VAXZQJWGFVFDFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139339
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCCc2ccc(Cl)cc2)cc1	CoCoCo_5124847,PC-id_40946212,ZINC22_9132340	439.958	OBICCJORSLAKQQ-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139340
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCCc2ccc(Cl)cc2)cc1	ZINC22_9132341,CoCoCo_5124846,PC-id_40946213	439.958	OBICCJORSLAKQQ-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139341
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(cc(cc2C)C)C)cc1	PC-id_16947446	439.958	XJHMUZJRKPERHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139342
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(C(C)C)cc2)cc1	PC-id_16947401	439.958	GHMIOBMMKJYVFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139343
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCCc2ccccc2)cc1	PC-id_16947389	439.958	HXMXDHDWPPLLGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139344
CCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)Cl	SCHEMBL10818761	439.974	KGGWZRVCAXSBRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139345
Clc1ccc(cc1)C(=O)c1c(NC(=O)CS(=O)(=O)CC(C)C)sc2c1CCC2	PC-id_112830901	439.976	CQIIBQASLKJGSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139346
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)CNc1ncc(s1)Cl)C(=O)O	PC-id_135200266,SCHEMBL20353839	439.979	OSFKRDADSAOSRO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-139347
O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	MCULE-4866824402,PC-id_26723383,ZINC22_15636903,EMOLS-id_33336650	439.979	OVRIEYKBYSCFEP-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-139348
C1CC(=C(N=C1)C(CO)C(=O)N2CC3=CN(N=C3C2)SC4=CN(N=C4)CC(F)F)F	PC-id_164872026	440.124	FURBOOAHLPZZGL-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-139349
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)N)C(=O)C(=O)N[C@@H](C)C(F)(F)F	PC-id_154663328	440.147	QSKGLILOXNLVDA-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-139350
CC(C)(C)OC(=O)CCCC(C)(C)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)O)Cl	PC-id_148743234	440.171	ODGFUEBURQJACD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139351
CCCCNC(=O)NN1CC2=C(C1)NN=C2NC(=O)CC3=CC=C(C=C3)OC(F)(F)F	PC-id_151194862	440.178	NHBVHCWUSGDFLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139352
CC1(C2=C(CN1)C(=NN2C(=O)[O-])NC(=O)[C@@H]3CCCN(C3)C(=O)OCC4=CC=CC=C4)C	PC-id_160988703	440.194	TUIGLCAZVBQTMC-OAHLLOKOSA-M	00000010100010110001000010000000000000000000000000000000	25-01-139353
CC1(C2=NNC(=C2CN1C(=O)OC(CN(C)C)C3=CC=CC=C3)CC(=O)C4CCCO4)C	PC-id_148168859	440.242	KCDPEHZKKYYOAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139354
Fc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1F	EMOLS-id_324845813	440.251	BUJUGRFXFDYXED-UUASQNMZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139355
Fc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c(F)c1	EMOLS-id_324846325	440.251	SIDSEOBBCMHGHT-WCSRMQSCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139356
Fc1ccc(F)c(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324849401	440.251	HWWGUHOMRWIMHM-UUASQNMZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139357
n12nc(nc1sc(=Cc1cc(ccc1F)F)c2=O)COc1ccc(cc1Cl)Cl	MCULE-5618381370	440.251	HWWGUHOMRWIMHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139358
n12nc(nc1sc(=Cc1ccc(F)cc1F)c2=O)COc1ccc(cc1Cl)Cl	MCULE-3670940501	440.251	SIDSEOBBCMHGHT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139359
n12nc(nc1sc(=Cc1ccc(F)c(F)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-5584278807	440.251	BUJUGRFXFDYXED-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139360
COc1cccc(OC(=O)C)c1C(C)n1nc2CCC(C)c2c1I	EMOLS-id_330966704,MCULE-1513324633	440.275	KAJBHOHXFYEXTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139361
COc1ncc(Cl)c(C(=O)N2CC(O)(CNC(=O)c3occ4c3CCC4)C2)c1Cl	ZINC22_2325827590	440.277	KTWPMOWNWPUBSX-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-139362
CC1=CCc2c(n(c(c12)O)Cc1c(ccc(c1)Br)NC(=O)c1ccccn1)O	PC-id_90832888	440.29	SRBZYPYRTANUEZ-UHFFFAOYSA-N	00000011100000111000000010000000000000000000000000000000	25-01-139363
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1c(Br)ccc(c1)N(=O)=O	EMOLS-id_328223091,MCULE-3639559156	440.29	SJTALCVHOURZLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139364
Brc1cncc(c1)C(=O)N[C@H]1Cc2cc(nn2C1)C(=O)NCc1ccccc1	EMOLS-id_316331825,MCULE-4395157733	440.293	NAKNRGIAZPKMQE-INIZCTEOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-139365
c1(C(=O)NCc2ccccc2)cc2n(CC(C2)NC(=O)c2cncc(Br)c2)n1	MCULE-2940035445	440.293	NAKNRGIAZPKMQE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-139366
c1(NC(=O)C(=O)NN=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-7138484911,PC-id_1833353	440.3	OJUUZPIEDSVSEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139367
c1(NC(=O)C(=O)NN=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-1919471132,PC-id_2018355	440.3	NQJKTJCTHKHNHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139368
CC1CCc2c1c(I)nn2Cc1ccc(cc1Cl)C(F)(F)F	MCULE-3785635285,EMOLS-id_330977788	440.63	LZLCWEDQWTYKCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139652
Clc1c(C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1Cl	PC-id_3538200	440.3	ZHAZROMDBDJFAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139369
Clc1c(/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1Cl	PC-id_9624898	440.3	ZHAZROMDBDJFAM-ODCIPOBUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139370
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(cc2Cl)Cl)sc2c1CCC2	EMOLS-id_26345768,STOCK4S-62137,PC-id_6878043	440.3	OJUUZPIEDSVSEO-ODCIPOBUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139371
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(c(c2)Cl)Cl)sc2c1CCC2	EMOLS-id_26348185,PC-id_6890302,STOCK4S-70986	440.3	NQJKTJCTHKHNHW-ODCIPOBUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139372
COc1ccc(Br)cc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_45970186,ZINC22_27021777	440.313	WYOMRXGQMUQCLH-VXGMZCCXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139373
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	ZINC22_27022218,EMOLS-id_45970352	440.313	YLZOMULBTACJMJ-PWFSRHFBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139374
COc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Br)c4)/c(=O)n3n2)cc1	ZINC22_27022188,EMOLS-id_45970342	440.313	QKZTUEHQYNUDCR-VXGMZCCXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139375
COc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_45970500,ZINC22_27022528	440.313	XHAMGHLRFKVSSP-JUBDITTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-139376
n12nc(nc1sc(=Cc1cc(Br)ccc1OC)c2=O)C=Cc1ccccc1	MCULE-2070360745	440.313	WYOMRXGQMUQCLH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139377
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)C=Cc1ccc(cc1)OC	MCULE-4825827975	440.313	QKZTUEHQYNUDCR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139378
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)C=Cc1ccc(cc1)OC	MCULE-1510129101	440.313	YLZOMULBTACJMJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139379
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)C=Cc1ccc(cc1)OC	MCULE-3291645664	440.313	XHAMGHLRFKVSSP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139380
Cc1nc(c2cccc(Br)c2)ccc1C(=O)Nc1nc2n(c1C#N)CCS2	EMOLS-id_44569198,ZINC22_84028840,PC-id_60323697,MCULE-5867819155	440.316	ZMIMQYVQHMKWOH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-139381
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)[As](=O)(O)O	MCULE-7295598269	440.324	HGUUDMAEUJJKPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139382
Brc1cc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(F)cc1	PC-id_56191248	440.33	GAVVQOADRCPWQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139383
FC(Oc1ccc(cc1)OCc1nnn(c1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	SCHEMBL19518614	440.333	CHELKVVPQUFEKM-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139384
FC(Oc1ccc(cc1)OCc1nnn(c1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	SCHEMBL19518616	440.333	CHELKVVPQUFEKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139385
CCOC(=O)c1c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)sc2c1CCC2	PC-id_1619301,ZINC22_1862717	440.34	ICDUMSIXIISZST-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139386
Clc1c(OC)c(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(Cl)c1	PC-id_4019255	440.34	ICDUMSIXIISZST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139387
Clc1c(C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)ccc(Cl)c1	PC-id_4505175	440.367	MMPGVTYFKXLTBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139388
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CC1(F)F)O[C@H](C(F)(F)F)C	PC-id_118479462,SCHEMBL17214311	440.367	IYLZKRARBZJDMH-ZSOXZCCMSA-N	00100010100000110001000010000000000000000000000000000000	25-01-139389
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2	ZINC22_16384837,PC-id_6132247	440.367	MMPGVTYFKXLTBX-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139390
O=Cc1oc2c(n1)CN(C2)C(=O)OCc1ncc(cc1NC(=O)C(C)(C)C)C(F)(F)F	PC-id_142427943	440.373	KTXHJFOQUIXQRZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-139391
Brc1ccc(SCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_5127072	440.374	SFAAXRRSWDRINP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139392
COC(=O)c1c(NC(=O)CSCc2ccc(Br)cc2)sc2c1CCC2	ZINC22_408564648	440.374	ZNERQZSGDPGQDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139393
COC(=O)c1c(NC(=O)CSCc2ccccc2Br)sc2c1CCC2	ZINC22_408575734	440.374	QALJVIIUABBBCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139394
C12(CCC(C1(C)C)(C)C2Br)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	MCULE-5031968630,PC-id_4728168	440.394	VLYOCIDKHMPMHM-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-139395
c1(NC(=O)COc2cccnc2NC(=O)OCC(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_321795367,MCULE-2432682507	440.396	OFIUEMYXRXVUIL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139396
O=C(C(=O)c1c(C)c(c2n1CCC2)C(=O)O)NC1CC(C1)(C(=O)N(F)C)C(=O)N(F)C	PC-id_139434811,SCHEMBL21296635	440.398	CSFUHMTXQCWJQW-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-139397
CNC(=O)C1(NC(=O)C(=O)c2c3C[C@H](Cn3c(c2C)C(=O)NC(=C)C)F)CC(C1)(F)F	PC-id_142295104	440.416	CCZCTOIMDNHRIZ-LLVKDONJSA-N	00001010100000000000000010000000000000000000000000000000	25-01-139398
FC(F)(F)c1ccc(COC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481645,SCHEMBL5543720	440.416	WUYYFKQZWHXCNB-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-139399
FC(F)(F)c1ccc(COC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481646,SCHEMBL5543725	440.416	WUYYFKQZWHXCNB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139400
FC(F)(F)Oc1ccc(CC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5536650,PC-id_69479654	440.416	GPNKYTPIEIOUPK-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-139401
FC(F)(F)Oc1ccc(CC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5536656,PC-id_69479655	440.416	GPNKYTPIEIOUPK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139402
COc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1OC(F)F	EMOLS-id_43692208,ZINC22_13129627,CoCoCo_2827163,MCULE-6099199695,PC-id_5001023	440.418	NRMSEKYUNKISHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139403
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)Cc1ccccc1)O[C@H](C(F)(F)F)C	PC-id_118479329,SCHEMBL17214177	440.418	NZDRLOAOLXTRAM-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139404
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2Cc1ccccc1)O[C@H](C(F)(F)F)C	SCHEMBL17214193,PC-id_118479345	440.418	XHTWYIMBTPXTOE-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139405
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC(F)F)c(OC)ccc1)C(=O)N	PC-id_55326366	440.418	OYEILRGWAWSICE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139406
FC(F)(F)c1ccc(CNN2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081259,SCHEMBL5542813	440.42	ICZMANXBVZODMV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139407
FC(F)(F)c1ccc(CNN2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481419,SCHEMBL5542801	440.42	ICZMANXBVZODMV-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139408
S(C1=C(C(c2n1nc(NC(=O)N(C)C)c2C#N)C#N)C(F)(F)F)c1sc(nn1)C	PC-id_20679515	440.426	YAJQRIZUHWNEOX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-139409
COc1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324850929	440.429	NKEFODDBLLKSMF-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139410
COc1cc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324869129	440.429	CKZFJKHWZUARDL-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139411
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CCOc1ccccc1	MCULE-9547419281	440.429	NKEFODDBLLKSMF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139412
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1ccc(cc1)C	MCULE-2411098429	440.429	CKZFJKHWZUARDL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139413
c1(c2CCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1cccc(c1)C(F)(F)F	ZINC22_19631503,EMOLS-id_4126970,TIMTEC248503,PC-id_17377359,CoCoCo_6832225,MCULE-6647145704	440.436	JTAIJDFBFMUEMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139414
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1ccc(cc1)C(F)(F)F)C)C(=O)N	PC-id_33298308	440.436	YWWMHPJCHOPOIJ-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139415
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1ccc(cc1)C(F)(F)F)C)C(=O)N	PC-id_33298312	440.436	YWWMHPJCHOPOIJ-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-139416
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1ccc(cc1)C(F)(F)F)C)C(=O)N	PC-id_74632343	440.436	YWWMHPJCHOPOIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139417
s1c2CCCc2nc1NC(=O)C1CCN(CC1)c1c([N+](=O)[O-])cc(cc1)C(F)(F)F	PC-id_46601343	440.439	VFJYLOZEDAPMQU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139418
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C#N	PC-id_16513243	440.441	JUSNJEGAZUHBIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139419
COc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1c(F)cccc1F	SCHEMBL1985204,PC-id_24948258	440.443	MTVSLQSTMRZPNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139420
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(F)cc1	ZINC22_256055896,PC-id_117588516	440.447	YEDJDYMARJPHAR-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139421
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccc(cc1)F)c2=O	MCULE-1666302117	440.447	YEDJDYMARJPHAR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139422
c1(sc2c(C(CC2)C(=O)OC)c1C(=O)OC)NS(=O)(=O)c1cccc(c1)N(=O)=O	MCULE-5473037259,PC-id_19203751	440.448	ZAYNLXIBQSJBJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139423
COc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)csc2[N+](=O)[O-])CS(=O)(=O)C	PC-id_141237099	440.448	CSEYLFLOCGBCAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139424
S(=O)(=O)(c1ccccc1N(=O)=O)Nc1sc2c(C(CC2)C(=O)OC)c1C(=O)OC	MCULE-4612630745,PC-id_19203661	440.448	SWEWLIOPWUZQOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139425
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])cc(S(=O)(=O)N)cc1)C(=O)N	PC-id_55528552	440.451	CXPABHXFOJAROT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139426
C1CN(CCN1CCCN1C(=O)c2c(C1=O)nc[nH]2)CCCN1C(=O)c2c(C1=O)nc[nH]2	PC-id_137661199	440.456	NABBADWMPPTWNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-139427
CCCCC(C1=NC(=O)c2n1c(N)nn2)(C1=Nc2n(C1=O)c(nn2)N)C(=O)CCCCC	SPECS-id_AT-225/NB55271,PC-id_51059423	440.459	NHVIUNWABFSNIG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-139428
CCCCCC(=O)C(CCCC)(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O	PC-id_135441686	440.459	FTFBXWGGAZBOHJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-139429
CCCCCC(=O)[C@@](CCCC)(c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O	PC-id_137105757	440.459	VFRGCWPTMMRTND-IBGZPJMESA-N	00000011100000000001000010000000000000000000000000000000	25-01-139430
CCCCCC(=O)[C@](CCCC)(c1c(n2C(=N)N=Nc2n1)O)c1nc(c2n1C(=N)N=N2)O	PC-id_137105758	440.459	VFRGCWPTMMRTND-LJQANCHMSA-N	00000011100000000001000010000000000000000000000000000000	25-01-139431
CCCCCC(=O)C(CCCC)(C1=Nc2nnc(N)n2C1=O)C1=Nc2nnc(N)n2C1=O	NSC382753,PC-id_343339,LI_194223,CoCoCo_5636600,ZINC22_16942802	440.459	RTTDEVCVAKPFPO-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-139432
c1(c2CCCc2[nH]n1)C(=O)N1CCCC1c1ccc(cn1)Cc1cccc(c1)C(F)(F)F	BDE-25650898,EMOLS-id_195089,MCULE-7836019903,PC-id_110263957	440.461	WORRQGQJBWBDFL-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-139433
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1	PC-id_92615412,ZINC22_19687859	440.461	WORRQGQJBWBDFL-NRFANRHFSA-N	00000010100000111001100010000000000000000000000000000000	25-01-139434
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1	PC-id_92615413,ZINC22_19687862	440.461	WORRQGQJBWBDFL-OAQYLSRUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-139435
s1c2c(CCC2)c(c1NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)C)C(=O)N	PC-id_27969363	440.463	ZOAFSQUVNCMCKP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139436
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccc(cc1)OC)C#N)C(=O)OC	MCULE-6786267860,PC-id_16411725	440.469	KNIITMQGDCDMOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139437
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccccc1OC)C#N)C(=O)OC	PC-id_73552160,MCULE-7107612064	440.469	JPADYOZAICAVQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139438
COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C(=C/c1ccc(cc1)OC)/C#N	BAS-02167423,ChemDIV3453-1729,PC-id_5710625,EMOLS-id_25821467	440.469	KNIITMQGDCDMOZ-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139439
COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C(=Cc1ccc(cc1)OC)/C#N	EMOLS-id_26280363,STOCK2S-62061	440.469	KNIITMQGDCDMOZ-RAXLEYEMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139440
COC(=O)[C@@H]1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C(=Cc1ccc(cc1)OC)/C#N	CoCoCo_237134	440.469	KNIITMQGDCDMOZ-VSKPTYQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139441
COC(=O)[C@@H]1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C(=C/c1ccc(cc1)OC)/C#N	CoCoCo_237135,PC-id_1084453	440.469	KNIITMQGDCDMOZ-NRMKIYEFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139442
COC(=O)[C@H]1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C(=Cc1ccc(cc1)OC)/C#N	CoCoCo_237136	440.469	KNIITMQGDCDMOZ-WVUXNXBLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139443
CC1CCc2c1c(I)nn2Cc1ccc(c(Cl)c1)C(F)(F)F	MCULE-7615919396,EMOLS-id_330980348	440.63	WNQOQFJSZANSCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139653
COC(=O)[C@H]1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C(=C/c1ccc(cc1)OC)/C#N	PC-id_1084455,CoCoCo_237133	440.469	KNIITMQGDCDMOZ-VOMSXAGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139444
NC(=O)c1c(NC(=O)COC(=O)c2ccc(COc3ccccc3)o2)sc2c1CCC2	ZINC22_9544875,PC-id_4793330,MCULE-6380447473,CoCoCo_2898557,EMOLS-id_3447350	440.469	ABNZEIOITOOVFH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139445
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)Nc1cc(OC)ccc1	PC-id_41733841	440.469	ZFVBXAPINNZNRL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139446
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(noc1C)c1ccccc1)C(=O)OC	PC-id_16505268	440.469	FKFXDFZORURIAW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139447
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1ccc(OC)cc1)/C#N)C(=O)OC	PC-id_24364083	440.469	MRXCWGOGMQMQGA-GXDHUFHOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139448
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccc(OC)cc1)C#N)C(=O)OC	PC-id_74265381	440.469	MRXCWGOGMQMQGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139449
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC#N)cc1)C(=O)OC	PC-id_41218150	440.469	JOVWVZQSCZUFQT-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139450
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(OCC#N)cc1)C(=O)OC	PC-id_74752884	440.469	JOVWVZQSCZUFQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139451
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C(=C/c1c(OC)cccc1)/C#N)C(=O)OC	PC-id_19175420	440.469	JPADYOZAICAVQO-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139452
s1c2c([C@@H](CC2)C(=O)OC)c(c1NC(=O)C(=Cc1ccc(OC)cc1)C#N)C(=O)OC	PC-id_1084454	440.469	KNIITMQGDCDMOZ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139453
s1c2c([C@H](CC2)C(=O)OC)c(c1NC(=O)C(=Cc1ccc(OC)cc1)C#N)C(=O)OC	PC-id_1084456	440.469	KNIITMQGDCDMOZ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139454
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1ccc(cc1)F	SCHEMBL19920581,PC-id_134302869	440.471	MVXSUXRQLCIBIO-WJDWOHSUSA-N	00100010100000110000000010000000000000000000000000000000	25-01-139455
NN/C(=CN)/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(cc1)F	PC-id_142295152	440.471	OLEGKPVCRAPSSG-WJDWOHSUSA-N	00100010100000110000000010000000000000000000000000000000	25-01-139456
N#CCCN(CCC#N)C(=O)COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	MCULE-9112752868,CoCoCo_2889317,ZINC22_21328816,EMOLS-id_43712721,PC-id_29434723	440.472	LHZKQRXTWYCWQR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-139457
NC(=O)c1c(NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)sc2c1CCC2	EMOLS-id_3329465,MCULE-4984767140,CoCoCo_2822182,ZINC22_16045025,PC-id_4837588,CHEMBL4538689	440.472	PBKOUEKXIGVYHD-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-139458
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(n2c(c[nH]c2=O)C)cc1)C(=O)N	PC-id_56010482	440.472	JXWQZNKKOKRAOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139459
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1=CCC(=O)N(N1)c1ccccc1)C(=O)N	PC-id_2453803	440.472	CTFZSTDZIHBOBA-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-139460
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(N2CCCC2)ccc([N+](=O)[O-])c1)C#N	PC-id_18269024	440.472	XXVDUKXVQIZCHD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139461
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(c2ccccc2)cc1OC)C(=O)N	PC-id_27705317	440.472	MGYSKUHSRVHRFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139462
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(nc1C)c1ccccc1)C(=O)OC	PC-id_24379714	440.472	QUGCRBULDDSXDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139463
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(=O)OC)CC(=O)NCc2occc2)C1	PC-id_44053334	440.472	IWODCBZWUVQOJD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139464
n12c(=O)c(=Cc3ccc(cc3)N(=O)=O)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-1923031219	440.474	OLZICITWULDXJO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139465
n12c(=O)c(=Cc3cccc(c3)N(=O)=O)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6459650073	440.474	JFDHNTJUYDBRMM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139466
n12c(=O)c(=Cc3ccccc3N(=O)=O)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-9268242358	440.474	YFOCSXUSJVNLSG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139467
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324824574	440.474	YFOCSXUSJVNLSG-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139468
[O-][N+](=O)c1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324821495	440.474	OLZICITWULDXJO-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139469
[O-][N+](=O)c1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324821500	440.474	JFDHNTJUYDBRMM-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139470
c1(NC(=O)CCC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2490385581,EMOLS-id_334338732	440.487	YPJKMDGIOHIISN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139471
CCOC(=O)CCC(NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc12)C(=O)OCC	PC-id_25154848,CHEMBL456504	440.489	PRWXTYKHPDJLQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139472
O=C(N[C@@H](CCC(=O)OCC)C(=O)OCC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_25148431	440.489	PRWXTYKHPDJLQP-ZVAWYAOSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139473
c1(NC(=O)c2cccc(F)c2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	EMOLS-id_24913555,ZINC22_23139536,PC-id_30862767,CoCoCo_5277774,MCULE-6473066741	440.491	PFPRVAXDNGPFJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139474
c1(NC(=O)COc2ccccc2F)c2CSCc2nn1CC(=O)NCc1ccccc1	ZINC22_23139445,PC-id_30862693,EMOLS-id_24913503,MCULE-9306796475,CoCoCo_5277744	440.491	KZOYVKCEQZHGSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139475
Fc1cc(ccc1CN1Cc2c(C1=O)sc(c2)C(C)(C)C)c1ccnc(c1[N+](=O)[O-])N	SCHEMBL17660375,PC-id_121261522	440.491	SYSWCTFJXHHNOW-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-139476
S1Cc2c(nn(c2NC(=O)c2ccc(F)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053475	440.491	PSBFVMSQXFLGRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139477
S1Cc2c(nn(c2NC(=O)c2ccc(OC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053676	440.491	RWMDNISANZSBNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139478
S1Cc2c(nn(c2NC(=O)c2cc(OC)ccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053675	440.491	DRFRWGCIRZJGSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139479
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053474	440.491	XPLHRZRHTSNKBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139480
S1Cc2c(nn(c2NC(=O)c2c(OC)cccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053674	440.491	WMLSCDVVYHHZJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139481
S1Cc2c(nn(c2NC(=O)COc2ccccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053626	440.491	GUCMKMPQEXMQBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139482
CCCCCCCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL16624954,PC-id_117999634	440.492	KLTUMTZABBDHEC-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139484
COc1c(OC)cc(cc1OC)NC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109574	440.492	PQDXNIJOWRQXLF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139485
s1c2CCCc2cc1C(=O)OCC(=O)C1C(=[N+](Cc2ccccc2)C(=O)N(C1=O)C)N	PC-id_78325250	440.492	VVOIDRACRXMWGP-UHFFFAOYSA-O	00000010100011110001000010000000000000000000000000000000	25-01-139486
CCCCCCCc1nnn(c1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16618752,PC-id_117994377	440.496	LWGBBUCWQGGYBS-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139487
O1C(CN2CCN(C3CCN(CC3)Cc3ccccc3)C2=O)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69480985,SCHEMBL5540938	440.496	GEHVHRYDTOJEDB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139488
c1(NC(=O)CSc2nnnn2c2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_327731788,MCULE-7520143374	440.499	KVLVSWASWPTTMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139489
O=C(NC1C(C1)c1ccccc1)N1C(c2[nH]nc(NC3NC(OC)NC(=O)N3)c2C1)(C)C	PC-id_77895436	440.499	AKFBHHLBECWJPE-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-139490
c1(NC(=O)CN(c2ccccc2F)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	MCULE-6382626673,ASN-12931234,ZINC22_13566757,PC-id_6493682,EMOLS-id_11006271	440.509	IZESGYPTEVXESJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139491
Cc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)c1cc(F)ccc1O	MCULE-4291426726,EMOLS-id_328224624	440.509	JHZAEXOLCQDUEL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139492
CCOC(=O)c1c(NC(=O)CN(c2cccc(F)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408630369	440.509	SNDZYLHEZNOMCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139493
CCOC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616521	440.509	AFGAFFVZOHHQKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139494
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)Nc1ccccc1OC	TIMTEC152663,PC-id_17377353,EMOLS-id_4127203,MCULE-9421069668	440.512	FPZFWZSFRGEOFJ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139495
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)Nc1cccc(OC)c1	TIMTEC314888,MCULE-8537675909,PC-id_17377330,EMOLS-id_4127207	440.512	MOWVXZNBTQZMDZ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139496
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5854458084,EMOLS-id_334339500	440.512	RUJISWUVDHCSRJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139497
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OCC)C#N)sc2c(CCC2)c1C(=O)OCC	PC-id_3662113,MCULE-2465218972	440.512	FDXVAHZMKAVYHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139498
c1(NC(=O)COc2ccccc2OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337962,MCULE-2598890713	440.512	MWWDMELNQKRLID-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139499
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2310884948,EMOLS-id_334338222	440.512	BVDBPINORQYZOS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139500
C(=Cc1ccc(cc1)OCCOC)(C#N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8793452918	440.512	WNKRSOSZZQEACB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139501
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OCCOC)cc2)/C#N)sc2CCCc12	EMOLS-id_328142591	440.512	WNKRSOSZZQEACB-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139502
COc1ccc(cc1)C(=O)c1ccc2n1CCC2C(c1ccccc1)(CS(=O)(=O)N)O	PC-id_67611402,SCHEMBL8519215	440.512	AFGXXYUBJQFCSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139503
COc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832319,ZINC22_19631798,PC-id_28248216	440.512	FPZFWZSFRGEOFJ-KGLIPLIRSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139504
COc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_28248218,CoCoCo_6832317,ZINC22_19631801	440.512	FPZFWZSFRGEOFJ-KBPBESRZSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139505
COc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	PC-id_28248220,CoCoCo_6832318,ZINC22_19631804	440.512	FPZFWZSFRGEOFJ-ZIAGYGMSSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139506
COc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_19631808,CoCoCo_6832316,PC-id_28248222	440.512	FPZFWZSFRGEOFJ-UONOGXRCSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139507
COc1cccc(NC(=O)c2c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)c1	PC-id_28248230,CoCoCo_6832368,ZINC22_19631820	440.512	MOWVXZNBTQZMDZ-HOTGVXAUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139508
COc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)c1	ZINC22_19631817,PC-id_28248228,CoCoCo_6832370	440.512	MOWVXZNBTQZMDZ-CVEARBPZSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139509
COc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)sc3c2CCC3)c1	ZINC22_19631823,PC-id_28248232,CoCoCo_6832369	440.512	MOWVXZNBTQZMDZ-HZPDHXFCSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139510
COc1cccc(NC(=O)c2c(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)sc3c2CCC3)c1	ZINC22_19631826,PC-id_28248234,CoCoCo_6832367	440.512	MOWVXZNBTQZMDZ-JKSUJKDBSA-N	00000010100011110000000010000000000000000000000000000000	25-01-139511
OCCS(=O)(=O)N(C1CCn2c1ccc2)c1cccc(c1)C(=O)c1ccc(cc1)OC	SCHEMBL8519214,PC-id_67611401	440.512	QGKVXLKDWLKEGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139512
OCC(S(=O)(=O)N)(C1CCn2c1ccc2C(=O)c1ccc(cc1)OC)c1ccccc1	SCHEMBL8519211,PC-id_67611400	440.512	DHBGQHJJPXYRPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139513
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1cc(cc(c1)C)C)C)C(=O)OC	PC-id_19444255	440.512	SCJMKBIKSZBTJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139514
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1c(ccc(c1)C)C)C)C(=O)OC	PC-id_19444698	440.512	NLDOHFCPRBMCQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139515
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1cc(c(cc1)C)C)C)C(=O)OC	PC-id_19444999	440.512	UGDNAUNIIDWFGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139516
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1c(cc(cc1)C)C)C)C(=O)OC	PC-id_19484178	440.512	BRJAIDBUBIJJHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139517
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1c(cccc1C)C)C)C(=O)OC	PC-id_19486073	440.512	FYUBXPJRPLAYFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139518
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1c(c(ccc1)C)C)C)C(=O)OC	PC-id_19490444	440.512	QEDLDQLOGIQYGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139519
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)NCCc1cc(OC)c(OC)cc1	PC-id_24126239	440.512	OWNXDYWJEGDVGP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139520
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1cc(OC)c(OCC)cc1)/C#N)C(=O)OCC	PC-id_1678961	440.512	FDXVAHZMKAVYHC-RVDMUPIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139521
CC1(C)N(Cc2c(NC(=O)c3ccccn3)[nH]nc12)C(=O)C1(F)CCN(CC1)C1CCC1	BindingDB_PC-id_59508321,SCHEMBL597047,BindingDB-id_295369,PC-id_59508321	440.514	CYPWXDWMPJMZLB-UHFFFAOYSA-N	00001010100010101001100010000000000000000000000000000000	25-01-139522
c1(NC(=O)c2ccc(cc2)OC(C)C)c2CSCc2nn1CC(=O)NCc1ccco1	ZINC22_23139365,CoCoCo_5277718,PC-id_30862623,MCULE-5278814716,EMOLS-id_24913459	440.515	ZPIYPTIXLAVAMX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139523
c1(NC(=O)Cc2ccc(cc2)OCC)c2CSCc2nn1CC(=O)NCc1ccco1	CoCoCo_5277728,PC-id_30862648,MCULE-5343500882,ZINC22_23139392,EMOLS-id_24913475	440.515	RKJTVZYUUNVOKB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139524
c1(NC(=O)CCc2ccc(cc2)OC)c2CSCc2nn1CC(=O)NCc1ccco1	ZINC22_23139409,CoCoCo_5277733,PC-id_30862663,EMOLS-id_24913483,MCULE-7788251096	440.515	QYBWQNKHPRUOSP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139525
c1(NC(=O)COc2cccnc2NC(=O)OC2CCCCC2)sc2c(CCC2)c1C#N	MCULE-8574617410,EMOLS-id_321794086	440.515	AGLJZXJLQSTFLH-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139526
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331924500,MCULE-6055868612	440.515	HUZRINQQTKSUCK-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-139527
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_3324170,PC-id_2439651,CoCoCo_3156256	440.515	JKHLKBPDLOCBGE-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139528
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_3324171,CoCoCo_3156255,PC-id_2439652	440.515	JKHLKBPDLOCBGE-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139529
CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_14165940,CoCoCo_3869013,PC-id_25972037	440.515	HFPGQTJTVQXFHZ-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139530
CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_14165944,CoCoCo_3869012,PC-id_25972039	440.515	HFPGQTJTVQXFHZ-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139531
CCC1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(cc1)C	MCULE-1406963765,EMOLS-id_13495241,PC-id_17565596	440.515	HFPGQTJTVQXFHZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139532
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)NC(C1=O)(C)CCc1ccccc1	PC-id_4834849,MCULE-3481992149,EMOLS-id_3321742	440.515	JKHLKBPDLOCBGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139533
s1c2c(CCC2)c(c1NC(=O)COc1ccc(c2nc(on2)CCCC)cc1)C(=O)N	PC-id_60585483	440.515	XSEMZOFSYRGBQO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139534
S1c2scc([n+]2C(=O)C1=Cc1cc(N(O)O)ccc1)CC(=O)Nc1c(cccc1)C	PC-id_499117	440.515	PBXBFYSKNVZOGQ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-139535
S1c2scc([n+]2C(=O)/C/1=C/c1cc(N(O)O)ccc1)CC(=O)Nc1c(cccc1)C	PC-id_6477819	440.515	PBXBFYSKNVZOGQ-ZDLGFXPLSA-O	00000010100000110001000010000000000000000000000000000000	25-01-139536
c1(NC(=O)COc2cccnc2NC(=O)N2CCN(CC2)C)sc2c(CCC2)c1C#N	MCULE-2685536701,EMOLS-id_321857465	440.519	XHUJANHWBYXUDJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139537
c1(NC(=O)COc2cccnc2NC(=O)N2CCNCCC2)sc2c(CCC2)c1C#N	EMOLS-id_321857210,MCULE-5628796243	440.519	XUTLENXREAYBGC-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-139538
s1c2c(CCC2)c(c1NC(=O)CNc1cc(n2nnnc2C)c(cc1)C)C(=O)OCC	PC-id_56574091	440.519	UVKDJICDYJHNDH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139539
c1(C(c2ccccc2)N2CCOCC2)nnnn1CC(=O)NCc1cn2c(SCC2)n1	MCULE-3707654641,EMOLS-id_232853525	440.522	WFGSLYLRKIDZSA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139540
O=C(Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1)NCc1cn2c(n1)SCC2	ZINC22_827864111	440.522	WFGSLYLRKIDZSA-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139541
O=C(Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1)NCc1cn2c(n1)SCC2	ZINC22_827864144	440.522	WFGSLYLRKIDZSA-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139542
C#Cc1cc2c(s1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18587249	440.534	ZWBXIEIXEWTRIK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-139543
C#Cc1cc2c(s1)C(=O)N(C2)CC[C@@](S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL20678205,PC-id_137440907	440.534	ZWBXIEIXEWTRIK-XCWJXAQQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-139544
O(C1C(n2c(C1OCc1ccccc1)cnc2)COCc1ccccc1)Cc1ccccc1	PC-id_85209153	440.534	MVSQXKAKNWDCLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139545
O([C@H]1[C@@H](n2c([C@H]1OCc1ccccc1)cnc2)COCc1ccccc1)Cc1ccccc1	PC-id_10622979	440.534	MVSQXKAKNWDCLT-IARZGTGTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139546
O([C@@H]1[C@@H](n2c([C@H]1OCc1ccccc1)cnc2)COCc1ccccc1)Cc1ccccc1	PC-id_10670778	440.534	MVSQXKAKNWDCLT-UPRLRBBYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139547
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(NC(=O)c2ccc(F)cc2)CC1)C#N	PC-id_34798887	440.534	WFBSTYFYRUUNTQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139548
c1(C(=O)NCCOC)cc2n(CC(C2)NC(=O)C2(CCCCC2)c2ccc(cc2)OC)n1	MCULE-5746627122	440.535	IAULYFHMDHSBGD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139549
c1(C(=O)NCCOC)cc2n(C[C@H](C2)NC(=O)C2(CCCCC2)c2ccc(cc2)OC)n1	MCULE-5358265445,EMOLS-id_316331325	440.535	IAULYFHMDHSBGD-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139550
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1sccc1c1ccccc1)C)C(=O)N	PC-id_30488441	440.535	VZZFSSDUUQSRBJ-GFCCVEGCSA-N	00000010100100110000100010000000000000000000000000000000	25-01-139551
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1sccc1c1ccccc1)C)C(=O)N	PC-id_30488444	440.535	VZZFSSDUUQSRBJ-LBPRGKRZSA-N	00000010100100110000100010000000000000000000000000000000	25-01-139552
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1sccc1c1ccccc1)C)C(=O)N	PC-id_85465700	440.535	VZZFSSDUUQSRBJ-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-139553
Cc1ccc(cc1)S(=O)(=O)N=S(=O)(n1nc2c(c1)CN(C2)C(=O)OC(C)(C)C)C	PC-id_118178936,SCHEMBL16841674	440.537	MIPCFNQXKJWQMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139554
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)NC(c1ccccc1)c1ccccc1	PC-id_92109584	440.537	QESDBFIZERAXHY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139555
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCCOC)c(=O)[nH]n1)C(=O)OCC	PC-id_31662111	440.537	QTNVGKSTMSWCHZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139556
S1(=O)(=O)Cc2c(nn(C(C)(C)C)c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1	PC-id_4180477	440.537	KEITYHRILOHBNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139557
c1(NC(=O)CSc2nccc(c3ccc(cc3)OC)n2)sc2c(CCC2)c1C(=O)N	PC-id_17021090,CoCoCo_6581456,ZINC22_2785970,MCULE-1889126058,EMOLS-id_8852015	440.538	IFQHWXHMRAJNKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139558
CC1CCc2nn(Cc3ccc(cc3Cl)C(F)(F)F)c(I)c12	EMOLS-id_330961848,MCULE-5751897528	440.63	MFNWBTDKJXNJBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139654
c1(NC(=O)CSc2ncc(nn2)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2032751,PC-id_6403529,MCULE-1335729645,TIMTEC581827,ZINC22_1117045,CoCoCo_1019176	440.538	YUTMYKGGDISPDU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139559
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)O)CCC3)nnc1c1ccccc1	SCHEMBL21082436,PC-id_138706178	440.538	ZTJZQJQRAWBNCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139560
O=C(C1CCc2c1nc(s2)NS(=O)(=O)C1CC1)Nc1ccc(cc1)c1cccnc1	PC-id_138673482,SCHEMBL21044014	440.538	DAVIEJQGNBDCNC-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-139561
O=C(C1CCc2c1sc(n2)NS(=O)(=O)C1CC1)Nc1ccc(cc1)c1cccnc1	SCHEMBL21076893,PC-id_138701161	440.538	UAOFRIFCIGFXCE-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-139562
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2ccccc2)c(=O)cc(n1)C)C(=O)N	PC-id_4077266	440.538	HAWNHRCPRSIUQG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139563
O=C(Nc1nn(c2c1CNC2)C(=O)OCC)c1ccc(N2CCN(C(C)(C)C)CC2)cc1	PC-id_21874038	440.539	KNBIQPIOQRMAGK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139564
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccncc1	CoCoCo_3094930,PC-id_2568074	440.542	FQOQYKPJHVFFKN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-139565
COc1ccc(Cc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	EMOLS-id_335744186,MCULE-7993840297	440.542	RHRVPGMOEMNQLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139566
COCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccncc1	PC-id_2465331,CoCoCo_3014219,MCULE-8503766114,EMOLS-id_3343141,ZINC22_3348464	440.542	ZIELXBKKKUSPPT-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-139567
n1(N)c(CCOc2ccccc2)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335746487,MCULE-7151284664	440.542	KQPPUVXZXNGIHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139568
n1(N)c(COCc2ccccc2)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335805359,MCULE-4053435535	440.542	RADIKWPVFFYRRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139569
S1Cc2c(nn(c2NC(=O)CSc2ncccn2)CC(=O)NCc2ccccc2)C1	PC-id_44053372	440.542	UOTALLXLIRJWSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139570
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)CNC1CCC(CC1)(F)F)C(=O)O	SCHEMBL20353989,PC-id_135200404	440.547	CNUZEISHAOTVNJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-139571
CCCCCC1C(CC(=O)OC)Cc2c1nc(s2)NS(=O)(=O)c1cccc(c1)F	PC-id_17747122,SCHEMBL10022804	440.552	YDOSDNWLGKLFAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139572
c1(C(=O)N(CC2CCN(CC2)Cc2ccccc2F)CC2CCCO2)c2CCCc2[nH]n1	PC-id_45198697,MCULE-8314157286,EMOLS-id_20522889	440.554	FUNNFBTXRCWBNB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139573
O=C(c1n[nH]c2c1CCC2)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1	PC-id_25277484,CoCoCo_1304613,CoCoCo_1304609,CoCoCo_1304614,CoCoCo_1304610,ZINC22_12437664	440.554	FUNNFBTXRCWBNB-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139574
O=C(c1n[nH]c2c1CCC2)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1	ZINC22_12437667,CoCoCo_1304607,CoCoCo_1304611,CoCoCo_1304612,CoCoCo_1304608,PC-id_25277486	440.554	FUNNFBTXRCWBNB-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139575
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCC2)c1C(=O)NCc1ccc(C)cc1	PC-id_17377105,EMOLS-id_4127344,TIMTEC231244,MCULE-6588477333	440.555	IZXOFHOHHWROPP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139576
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3244321299	440.555	KGGSRJHGFXICER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139577
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O)C	SCHEMBL20339097,PC-id_135187043	440.555	LVDPBYOZTLYEGO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139578
Cc1ccc(CNC(=O)c2c(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)sc3c2CCC3)cc1	CoCoCo_6832013,PC-id_28248290,ZINC22_19632095	440.555	IZXOFHOHHWROPP-IAGOWNOFSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139579
Cc1ccc(CNC(=O)c2c(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)sc3c2CCC3)cc1	PC-id_28248292,CoCoCo_6832011,ZINC22_19632098	440.555	IZXOFHOHHWROPP-DLBZAZTESA-N	00000010100010110000000010000000000000000000000000000000	25-01-139580
Cc1ccc(CNC(=O)c2c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc3c2CCC3)cc1	ZINC22_19632089,CoCoCo_6832010,PC-id_28248286	440.555	IZXOFHOHHWROPP-SJORKVTESA-N	00000010100010110000000010000000000000000000000000000000	25-01-139581
Cc1ccc(CNC(=O)c2c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc3c2CCC3)cc1	ZINC22_19632092,CoCoCo_6832012,PC-id_28248288	440.555	IZXOFHOHHWROPP-IRXDYDNUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139582
CC(=O)c1cc(ccc1)NCc1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	SCHEMBL20354003,PC-id_135200416	440.555	HLUJBMIATZNNGF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139583
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334332840	440.555	KGGSRJHGFXICER-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139584
CCOC(=O)c1c(NC(=O)C2CN(C(=O)C2)c2c(C)cccc2CC)sc2CCCc12	EMOLS-id_327830454,MCULE-4448370580	440.555	AKILWVAFMSHVQN-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139585
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(cccc1)C	PC-id_41733138	440.555	KOXFSHIZAJDNIE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139586
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)c1ccccc1)C(=O)OCC	PC-id_41686739	440.555	PHZDXHDHJKZBNL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139587
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)C1	MCULE-3871004835,PC-id_17559776,EMOLS-id_12021165	440.557	YSHPORJTLZLNAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139588
O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1cc2c(s1)CCC2	PC-id_40810706,CoCoCo_3967110,ZINC22_8748603	440.557	YSHPORJTLZLNAU-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139589
O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1cc2c(s1)CCC2	ZINC22_8748602,CoCoCo_3967109,PC-id_40810705	440.557	YSHPORJTLZLNAU-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139590
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1sccc1	PC-id_16830747	440.557	UWBWVDXYLSAKAV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-139591
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCC)sc2CCCc2c1C#N	MCULE-5341258712,EMOLS-id_331921938	440.558	PYVDNUWYYHXZPS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139592
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CC)sc2CCCc2c1C#N	MCULE-7430494306,EMOLS-id_331925015	440.558	JAMDXFKAEAPLKE-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139593
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CC=C)sc2CCCc2c1C#N	EMOLS-id_331924245,MCULE-8203351782	440.558	SAVQTGQNFCAEEX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139594
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(CC1)C(=O)Nc1ccccc1	EMOLS-id_11818774,MCULE-5906506241,PC-id_16369043	440.558	MZNHZROICOSDDD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139595
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(C(=O)Nc2ccccc2)CC1	CoCoCo_4240804,ZINC22_9595448,PC-id_41138893,CoCoCo_4240803	440.558	MZNHZROICOSDDD-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139596
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(C(=O)Nc2ccccc2)CC1	CoCoCo_4240806,PC-id_41138895,ZINC22_9595450,CoCoCo_4240805	440.558	MZNHZROICOSDDD-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139597
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)Cc1c(cccc1)C)C(=O)N	PC-id_56312428	440.558	OSFAUGHUXJJVRK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139598
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)C)C(=O)N	PC-id_56384338	440.558	OLSYQHDNCCOGBE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139599
s1c2c(CCC2)c(c1NC(=O)CSc1ncc(S(=O)(=O)N(C)C)cc1)C(=O)N	PC-id_27968909	440.56	OTKLGNGDOKNUGV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139600
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)CC)nn1)C(=O)OCC	PC-id_24101243	440.56	SACDEOOJXMLCPG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139601
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(nn1)NC(=O)C)C)C(=O)OCC	PC-id_23760885	440.56	UTXFNGZFYINZLP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139602
c1(NC(=O)CN2CCN(CC2)c2nc(CCCC)cc(=O)[nH]2)sc2c(CCC2)c1C#N	EMOLS-id_322523491,MCULE-7520896509	440.562	LYPYGUHEUMEGGD-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-139603
O(c1ccc(CCCCCCCCCCCC)cc1)CCOc1nn2c(NOC2)c1C#N	PC-id_59945298	440.578	KHHKIWZVJKEAKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139604
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)C1CCS(=O)(=O)C1	MCULE-3460912544,EMOLS-id_11951124,PC-id_17551896	440.58	ONFQQEFHJHLUHD-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-139605
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	CoCoCo_4245341,ZINC22_95961512,PC-id_30641735,CoCoCo_4245339	440.58	ONFQQEFHJHLUHD-STQMWFEESA-N	00000010100010000001100010000000000000000000000000000000	25-01-139606
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	PC-id_30641724,CoCoCo_4245338,ZINC22_95961510,CoCoCo_4245340	440.58	ONFQQEFHJHLUHD-QWHCGFSZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-139607
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	PC-id_30641729,CoCoCo_4245342,CoCoCo_4245344,ZINC22_95961511	440.58	ONFQQEFHJHLUHD-CHWSQXEVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-139608
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC22_95961513,PC-id_30641743,CoCoCo_4245345,CoCoCo_4245343	440.58	ONFQQEFHJHLUHD-OLZOCXBDSA-N	00000010100010000001100010000000000000000000000000000000	25-01-139609
O=C[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1=O)ccs2	PC-id_143362980	440.58	USFATKJQIUUPSH-HDRVYIBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139610
Cc1cccc(n2ccnc2S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1C	PC-id_41037768,CoCoCo_4184078,ZINC22_9366897	440.582	GBAGCEQITDDBAU-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139611
Cc1cccc(n2ccnc2S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1C	ZINC22_9366896,PC-id_41037767,CoCoCo_4184079	440.582	GBAGCEQITDDBAU-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139612
Cc1[nH]c(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nc1Cc1ccccc1	PC-id_25943015,CoCoCo_4177544,CoCoCo_4177542,ZINC22_14095389	440.582	IEQXLGUTQPALQG-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139613
Cc1[nH]c(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nc1Cc1ccccc1	ZINC22_14095390,PC-id_25943016,CoCoCo_4177545,CoCoCo_4177543	440.582	IEQXLGUTQPALQG-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139614
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nccn1c1cccc(c1C)C	EMOLS-id_11903844,PC-id_17401337,SCHEMBL21045540,MCULE-8173121192	440.582	GBAGCEQITDDBAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139615
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1[nH]c(c(n1)Cc1ccccc1)C	EMOLS-id_13456110,MCULE-9205828363,PC-id_17443675	440.582	IEQXLGUTQPALQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139616
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCCC1)c1ccc(c(c1)OC)OC	PC-id_111580811	440.582	UXBXDRGZQSBMJI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139617
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(C(C)C)cccc2)ccn1)C(=O)N	PC-id_24499051	440.582	XXEAVTGLINWLOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139618
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2ccc(C(C)C)cc2)ccn1)C(=O)N	PC-id_46624763	440.582	YRHJFGPPDQJULS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139619
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(Cn2nc(cc2C)C)cc1)C(=O)OC	PC-id_20168968	440.582	UOHMNSVFUOSWIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139620
s1c2c(CCC2)c(c1NC(=S)Nc1cc(Cn2nc(cc2C)C)ccc1)C(=O)OC	PC-id_20171780	440.582	JELGXPVSXQNNNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139621
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccccc1)C)C(=O)OC	PC-id_19677975	440.582	FQTQTLWOJJNAOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139622
S(C1NC(C(Cc2ccccc2)C(=O)N1)C)CC(=O)Nc1sc2CCCc2c1C#N	PC-id_74253146	440.582	UOZXYPNBPHAIBW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139623
Clc1cccc(c1C(=O)n1nc(c2c1CCC2)I)C(F)(F)F	SCHEMBL17981545,PC-id_122458007	440.587	FFHQFPUHXSDTEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139624
c1(cc2c(CCC2)s1)C(=O)N(C)[C@H]1[C@H](O)CC[C@@](c2ccccc2)(CNC(=O)C)CC1	LAS-34123352,ZINC22_257204861,MCULE-5329339798,EMOLS-id_171725422,PC-id_110159983	440.598	AWPHGFMPJUXGBX-DNRQZRRGSA-N	00000010100000110100100010000000000000000000000000000000	25-01-139625
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8174783968	440.598	MEQDDYYCNWRFJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139626
CC(C)c1ccc(cc1)NCc1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	PC-id_135200437,SCHEMBL20354024	440.598	ANPDNNIUIMOZJS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139627
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc2CCCc12	EMOLS-id_334387733	440.598	MEQDDYYCNWRFJY-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139628
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(Cc1ccccc1N1CCCCC1)C	MCULE-3608120489,PC-id_16368679,EMOLS-id_43983956	440.601	HNLXBKGENBJWBI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-139629
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(Cc1ccc(cc1)N1CCCCC1)C	PC-id_17411951,MCULE-8031200822,EMOLS-id_11935615	440.601	PUEYXWHTVVVONK-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-139630
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccccc1N1CCCCC1	CoCoCo_4243259,CoCoCo_4243258,PC-id_41138165,ZINC22_9593348	440.601	HNLXBKGENBJWBI-MRXNPFEDSA-N	00000010100010110000100010000000000000000000000000000000	25-01-139631
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccccc1N1CCCCC1	PC-id_41138163,CoCoCo_4243256,ZINC22_9593346,CoCoCo_4243257	440.601	HNLXBKGENBJWBI-INIZCTEOSA-N	00000010100010110000100010000000000000000000000000000000	25-01-139632
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccc(N2CCCCC2)cc1	CoCoCo_4235421,CoCoCo_4235420,ZINC22_8779817,PC-id_40821547	440.601	PUEYXWHTVVVONK-INIZCTEOSA-N	00000010100010110000100010000000000000000000000000000000	25-01-139633
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccc(N2CCCCC2)cc1	CoCoCo_4235422,ZINC22_8779819,CoCoCo_4235423,PC-id_40821550	440.601	PUEYXWHTVVVONK-MRXNPFEDSA-N	00000010100010110000100010000000000000000000000000000000	25-01-139634
CNc1c(c2c(s1)CCC2)C(=NC1CCC(CC1)N(C)Cc1ccc(cc1)C(=O)O)N	PC-id_136422191	440.601	YXPQPCKAFKYYSW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139635
CNc1sc2c(c1C(=N)N[C@@H]1CC[C@H](CC1)N(Cc1ccc(cc1)C(=O)O)C)CCC2	SCHEMBL13644116	440.601	YXPQPCKAFKYYSW-IYARVYRRSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139636
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(C(C)C)cc1)C(=O)N	PC-id_46807814	440.601	LZKYNLYYGMIRKP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139637
s1c2c(CCC2)c(c1NC(=S)Nc1c(Sc2ccccc2)cccc1)C(=O)OC	PC-id_19677691	440.601	RELCYYLXIYXPQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139638
S1Cc2c(NC(=O)CCC3CCCCC3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053810	440.601	LPKBRRIWLPHICG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139639
CCCCNc1nnc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)s1	CoCoCo_2810326,MCULE-9367583198,PC-id_2345401,EMOLS-id_43686044,ZINC22_3227224	440.603	HCXSNHXHGAHYTD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139640
CN=C(c1c(sc2c1CCC2)N)NC1CCC(CC1)N(C)CC(=O)Nc1cnccc1	PC-id_89137824	440.605	XUBFSZSQUXWFBX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139641
S(C1C(NNC1NN=C1C(=Nn2c1nnc2C)C(C)(C)C)C(C)(C)C)c1ccccc1	PC-id_78010268	440.608	WRBOPXQDAZSMNB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-139642
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)c1ccccc1	PC-id_140817018	440.611	PZVOTWBGIOLVRG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-139643
CO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)c1ccccc1	PC-id_141487838	440.611	PZVOTWBGIOLVRG-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-139644
OCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)c1ccccc1	PC-id_140817049	440.611	FGXXRZUQQIAEHF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-139645
OC[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)c1ccccc1	PC-id_141487834	440.611	FGXXRZUQQIAEHF-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-139646
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)[C@H](Oc1ccccc1)C	PC-id_141487853	440.611	BCPQPENDAMMHRU-OAHLLOKOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-139647
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)C(Oc1ccccc1)C	PC-id_140817096	440.611	BCPQPENDAMMHRU-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-139648
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)COc1ccccc1	PC-id_140817068	440.611	JAVZUOCAEYTDHB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-139649
CCN(CCC1(CCCC1)c1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328341650,MCULE-6631334725	440.62	UCZPWTGDEVPFLY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139650
CN(CCC1(CCCCC1)c1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328340882,MCULE-3068493428	440.62	UYOVPFARDXSGAW-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-139651
CC1CCc2nn(Cc3ccc(c(Cl)c3)C(F)(F)F)c(I)c12	EMOLS-id_330964408,MCULE-3532923946	440.63	OXMINWUVLMBWSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139655
C=CCOc1c(cc(cc1C(C)(C)C)OC)[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	SCHEMBL2924776,PC-id_21880959	440.713	SQVPGVVQPFUAEA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-139656
CC(OC(=O)c1c(C)cn2c1SC(C2=CC(=O)OCC(Cl)(Cl)Cl)(C)C)C	PC-id_139819443	440.769	XEHYKNIWYIKCMM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139657
Brc1cc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)c(Cl)cc1	PC-id_44060381	440.785	VMWIAWGQPFLJTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139658
C=CCOc1c(cc(cc1[Si](C)(C)C)C)[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	SCHEMBL2914117,PC-id_21881012	440.789	LCXLADVPTPCIGM-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-139659
CCC1(c2nn(c(c2CN1C(=O)Cl)NC(=O)c1c(cc(cc1)F)F)C(=O)OCC)C	SCHEMBL15256575,PC-id_89803978	440.828	RCONCIWLUJGORI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139660
N#CC12CC1(C2)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_142295132	440.855	XMIGJIHXMVRJID-UHFFFAOYSA-N	00101010100000110000010010000000000000000000000000000000	25-01-139661
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)c1ccccc1C(=O)O	PC-id_135187051,SCHEMBL20339108	440.899	WYWZVXHXLQCUMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139662
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(cccc2)C(=O)N)cc1	PC-id_16947487	440.903	TZTNTXCJRFCZBY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139663
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(cc2)C(=O)N)cc1	PC-id_16947488	440.903	ICBFGMBKFWWTPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139664
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)CC	MCULE-3198171193	440.903	AGMVCEIXTARFFB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139665
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O)C	MCULE-5890284696	440.903	IVASOZZWMCXMTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139666
Clc1sc(C(=O)CCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_42966501	440.921	QDEIFWWGCNHFKB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-139667
c1(c2CCCc2sc1N=Cc1ccc(c(OC)c1)OC)C(=O)Nc1cccc(Cl)c1	MCULE-3695289672,PC-id_4553595	440.942	PLJVIQLKUKORMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139668
c1(c2CCCc2sc1N=Cc1cccc(OC)c1OC)C(=O)Nc1cccc(Cl)c1	PC-id_3699066,MCULE-6704722854	440.942	AMYYCOKFDKMRSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139669
c1(c2CCCc2sc1N=Cc1cc(OC)ccc1OC)C(=O)Nc1cccc(Cl)c1	MCULE-3960573371,PC-id_3725297	440.942	MWDKQSAFCGSWIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139670
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(c(Cl)c1)OC	ZINC22_15277164,EMOLS-id_6791274,MCULE-4608615520,PC-id_4369926,TIMTEC182804	440.942	GXTIQZHPDZYUQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139671
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1)OCC	ChEMBL-DNDi_CHEMBL2411-0672,PC-id_1002875,EMOLS-id_1231079,CoCoCo_81807,ZINC22_659408,SPECS-id_AG-690/12883542,BAS-00486951,MCULE-2904323343	440.942	QFSOLMPHMSPUHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139672
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1OCC	ZINC22_1215312,PC-id_1369117,MCULE-3030447881,MS2_ST016113,EMOLS-id_2387480,CoCoCo_737127	440.942	MLGHDFPKXLEFPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139673
c1(c2CCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)Cl	ZINC22_8445638,MS2_ST016043,PC-id_5140290,CoCoCo_1731232,TIMTEC36363,EMOLS-id_8221331,SPECS-id_AG-667/13796002,MCULE-6122360994	440.942	LAOQBFALQMENGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139674
c1(c2CCCc2sc1NC(=O)COc1ccc(cc1)Cl)C(=O)Nc1ccccc1C	MCULE-4534365349,PC-id_1361298,CoCoCo_706234,ZINC22_1204022,EMOLS-id_2109486	440.942	QICVRJPJFOFUNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139675
c1(NC(=O)C2CC2c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334342050,MCULE-3432785430	440.942	OEVFRKADVRRZGU-UHFFFAOYSA-N	00100010101000110000100010000000000000000000000000000000	25-01-139676
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccc(cc2)Cl)sc2c(CCC2)n1	MCULE-6298031861	440.942	ZMDKHWUXMMNAJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139677
COc1ccc(c(c1)/C=Nc1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCC2)OC	CoCoCo_6728191	440.942	MWDKQSAFCGSWIO-MXAYSNPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139678
COc1cccc(c1OC)/C=Nc1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCC2	CoCoCo_6728189	440.942	AMYYCOKFDKMRSX-MXAYSNPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139679
COc1ccc(cc1OC)/C=Nc1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCC2	CoCoCo_6728193	440.942	PLJVIQLKUKORMK-MXAYSNPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139680
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)c1OC	CoCoCo_6728188,ZINC22_15945637,TIMTEC48993,PC-id_9631635,EMOLS-id_46413419	440.942	AMYYCOKFDKMRSX-DHRITJCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139681
COc1cc(/C=C/C(=O)Nc2nc3CCCc3s2)ccc1OCc1ccc(Cl)cc1	EMOLS-id_334663379	440.942	ZMDKHWUXMMNAJU-XYOKQWHBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139682
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)cc1OC	ZINC22_15945641,CoCoCo_6728192,EMOLS-id_46413423,PC-id_9676598,TIMTEC381619	440.942	PLJVIQLKUKORMK-DHRITJCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139683
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)c1	PC-id_9632927,TIMTEC321390,ZINC22_15945639,EMOLS-id_46413421,CoCoCo_6728190	440.942	MWDKQSAFCGSWIO-DHRITJCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139684
c1(NC(=O)c2ccccc2Cl)c2CSCc2nn1CC(=O)NCCc1ccccc1	PC-id_30862908,CoCoCo_5277833,ZINC22_23139694,MCULE-5939979101,EMOLS-id_24913659	440.946	YKCKYHMKDWRITD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139685
c1(NC(=O)c2cccc(Cl)c2)c2CSCc2nn1CC(=O)NCCc1ccccc1	EMOLS-id_24913661,CoCoCo_5277834,MCULE-1677760586,PC-id_30862910,ZINC22_23139698	440.946	MZYDHPSAXILAMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139686
c1(NC(=O)Cc2ccccc2Cl)c2CSCc2nn1CC(=O)NCc1ccccc1	ZINC22_23139470,EMOLS-id_24913517,CoCoCo_5277752,PC-id_30862713,MCULE-3156292804	440.946	NMHSNYOEWLBGFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139687
CCN(CC)c1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324882438	440.946	DOWWWGOKELEOIA-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139688
CCN(CC)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324844794	440.946	CZDULCCKFKWYOP-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139689
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc1	PC-id_44053440	440.946	IIXDNRGCHHCOFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139690
Clc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc1	PC-id_44053830	440.946	KJGGTVMIJUIGKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139691
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(N(C)C)cc2)cc1	PC-id_16947417	440.946	PCIURHKUAHIYQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139692
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)COc1ccccc1Cl	MCULE-8409115657	440.946	DOWWWGOKELEOIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139693
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)COc1ccc(Cl)cc1	MCULE-1597109196	440.946	CZDULCCKFKWYOP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139694
Clc1c(Cn2nc(c3c2sc(C(=O)N(Cc2n4CCCc4nn2)C)c3)C)cccc1	EMOLS-id_257861082,PC-id_16391633,MCULE-2173699473	440.949	GCTLPJLOAJWJHB-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-139695
Clc1ccc(cc1)N1CC(CC1=O)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109837	440.966	FPKTUNHFKOCTKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139696
c1(NC(=O)c2c(Cl)ccc(c2)S(=O)(=O)N2CCCCC2)n(C)nc2CSCc12	MCULE-6641200654,EMOLS-id_334564031	440.967	YAGHTVDRVGGGBN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139697
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Cl	PC-id_140817112	440.996	FZGAVOKUCPGCAJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-139698
Brc1c2n(CCC2C(=O)OC)c(c1Br)C(=O)c1ccc(cc1)C	SCHEMBL11008434,PC-id_20405028	441.114	BGFFWISOFIMYLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139699
Cc1csc2nc(Cl)c(/C=c/3sc4nc(nn4c3=O)C(Cl)(Cl)Cl)n12	EMOLS-id_324912129	441.143	BEHHGATTWXUHIK-KXFIGUGUSA-N	00000000100000000001000110000000000000000000000000000000	25-01-139700
n12c(=O)c(=Cc3c(Cl)nc4scc(C)n34)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-8356899566	441.143	BEHHGATTWXUHIK-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-139701
ClC1=C(C(c2n1nc(NC(=O)Nc1cc(ccc1Cl)C)c2C#N)C#N)C(F)(F)F	PC-id_54135631	441.194	OQHJWVWOSXLKNG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-139702
CCCC[Sn](C1=Cn2c(S1=C=O)cnc2)(CCCC)CCCC	PC-id_141593850	441.21	AGQGLUCDFGOHOF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-139703
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)I)C	SCHEMBL18521465	441.242	LUBARYPPBXDFOH-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139704
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)I)C	SCHEMBL19519492	441.242	LUBARYPPBXDFOH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139705
CC1(C2=NNC(=C2CN1C(=O)OC(C[NH+](C)C)C3=CC=CC=C3)CC(=O)C4CCCO4)C	PC-id_148168858	441.25	KCDPEHZKKYYOAI-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-139706
CC(C)(C)OC(=O)N1CCC(CC1)(CO)C(C2=NN(C3=C2CCC3)CC4=CC=CC=C4)O	PC-id_165388021	441.263	PSXHGDZAIIUADK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139707
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(F)cc1	PC-id_26178245	441.271	UCDYOTAVGDUIOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139708
Brc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(F)c1	PC-id_27751407	441.271	MYJRLGFATYZTAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139709
Brc1cc(C(=O)Nc2n[nH]c3c2CN(NC(=O)Nc2ccccc2)C3)ccc1	SCHEMBL2922880,PC-id_68442188	441.281	OEQXQGXTXNPWHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139710
Brc1cncc(c1)C(=O)NC1Cc2n(C1)ncc2C(=O)NCc1cccnc1	MCULE-4190462168	441.281	UQCLCKQAFCOMNZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-139711
Brc1cncc(c1)C(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1cccnc1	MCULE-6464320296,EMOLS-id_316319548	441.281	UQCLCKQAFCOMNZ-HNNXBMFYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-139712
c1(NC(=O)c2ccccc2I)sc2c(CCC2)c1C(=O)OCC	MCULE-2923806485,ZINC22_59472671,EMOLS-id_327799506	441.283	JHPVOMQACBLEGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139713
c1(NC(=O)c2ccc(cc2)I)sc2c(CCC2)c1C(=O)OCC	MCULE-9685282890,PC-id_1909323,STOCK1S-81926,CoCoCo_1721495,ZINC22_2286918,EMOLS-id_3738654,ChEMBL-DNDi_CHEMBL3237-0508	441.283	VOTLCJGJECIZSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139714
CCOC(=O)c1c(NC(=O)c2cccc(c2)I)sc2c1CCC2	PC-id_105534049	441.283	IHVCDDAEYBZDFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139715
Ic1cc(c(NC(=O)COC(=O)c2sc3CCCc3c2)cc1)C	PC-id_3692001	441.283	FNZRYXIMOUVOHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139716
NC(=O)c1c(NC(=O)CNc2ccc(I)cc2)sc2c1CCC2	EMOLS-id_3147931,CoCoCo_3371125,GD-id_ZINC03362530,MCULE-6684530045,ZINC22_3362530,PC-id_2480080	441.287	UYUGGMOKZSUKJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139717
Clc1cc(COC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)ccc1Cl	PC-id_69479645,SCHEMBL5536625	441.308	WOYRLVXDGZGUFR-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-139718
Clc1cc(COC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)ccc1Cl	SCHEMBL5536629,PC-id_69479647	441.308	WOYRLVXDGZGUFR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139719
c1(ccc(Cl)cc1Cl)C(=O)NCC(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327767021,MCULE-9403964873	441.328	XCKVXCJYGFCORS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139720
Fc1c(Br)cccc1CCNC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328215165,MCULE-5698726534	441.336	ULMDTVBIMJIGQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139721
c1(sc2c(CCC2)c1C#N)NC(=O)CS(=O)Cc1c(cc(Br)cc1)F	EMOLS-id_186662032,MCULE-8228947773	441.338	MOJZRITZUDOXGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139722
Brc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2	CoCoCo_1721697,STOCK1S-80836,MCULE-9310121167,CHEMBL1475091,PC-id_1908920,EMOLS-id_2922519,ZINC22_2286413	441.341	LCVWNZNEHZWCDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139723
Brc1cccc(c1)C(=O)Nc1sc2CCCc2c1C(=O)Nc1ccccc1	EMOLS-id_2121435,CoCoCo_1731046,MCULE-8964410508,SPECS-id_AG-667/37281002,PC-id_1047321,ZINC22_722366	441.341	XGJOGGSUSHHZKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139724
Brc1ccccc1C(=O)Nc1sc2CCCc2c1C(=O)Nc1ccccc1	SCHEMBL12443258,MCULE-4739501929,ZINC22_1081023,GD-id_ZINC01081023,EMOLS-id_2385397,CoCoCo_1731047,PC-id_1267994	441.341	YDLGSZLFGXBKIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139725
Cc1c(ccc(c1)n1c(=O)c(c([nH]1)C)C=Nc1c(c2c(s1)CCC2)C#N)Br	PC-id_137073513	441.344	GAYCVSIASGVQQS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139726
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	ZINC22_408527214	441.344	DABQUSPRMOOBOY-YBEGLDIGSA-N	00000011100000110001100010000000000000000000000000000000	25-01-139727
CC(C(=O)NCCn1nc(cc1C(F)F)C(F)F)n1nc(c2CCCc12)C(F)(F)F	MCULE-1810266700,PC-id_19591072,EMOLS-id_8867649,TIMTEC343006	441.347	NUIBFCQMVABKLZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139728
C[C@@H](C(=O)NCCn1nc(C(F)F)cc1C(F)F)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_36614050,PC-id_51853239	441.347	NUIBFCQMVABKLZ-QMMMGPOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139729
C[C@H](C(=O)NCCn1nc(C(F)F)cc1C(F)F)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_36614051,PC-id_51853240	441.347	NUIBFCQMVABKLZ-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139730
[O-]C(=O)COCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(c1)C(F)(F)F)CCC2	PC-id_28249246,GD-id_ZINC19635581	441.401	IGOBYABAXXXYOK-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-139731
FC(F)(F)Oc1ccc(C2CC(N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)N)cc1	SCHEMBL5541383,PC-id_69481149	441.404	GUUVBXMFRJKTPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139732
FC(F)(F)Oc1ccc(CN2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5538943,PC-id_69480398	441.404	SZDQWWLHGVUIQF-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139733
FC(F)(F)Oc1ccc(CN2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5538950,PC-id_23081171	441.404	SZDQWWLHGVUIQF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139734
FC(F)(F)Oc1ccc(NC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69479167,SCHEMBL5534908	441.404	DJBJDFBZDAXWNR-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139735
FC(F)(F)Oc1ccc(NC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5534914,PC-id_69479170	441.404	DJBJDFBZDAXWNR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139736
FCc1ccc(cc1)NC(=O)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_122501614,SCHEMBL18031603	441.412	MCTSOCKXWVAPOA-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139737
c1(c(C)nn(C(F)F)c1C)S(=O)(=O)NCCCn1c2CCCc2c(C(F)(F)F)n1	MCULE-7530871127,TIMTEC41029,EMOLS-id_8869970,ZINC22_36615116,PC-id_19615067	441.419	AIPHFZAAHIJSOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139738
c1(c(C)nn(C(F)F)c1C)S(=O)(=O)NCCCn1nc2c(CCC2)c1C(F)(F)F	MCULE-7589678851,TIMTEC268543,PC-id_19615026,ZINC22_36615074,EMOLS-id_8869888	441.419	KPCOJKSWQCSHHC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139739
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C(F)(F)F)C(=O)OCC	PC-id_3439166	441.421	ZEHRERDKMFWBCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139740
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_45689029	441.421	CBGVJIVUPNZBCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139741
COC(=O)[C@](C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1ccccc1	CoCoCo_1743928,PC-id_92214639	441.424	XQDOIQCKLKBXRZ-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139742
COC(=O)[C@@](C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1ccccc1	CoCoCo_1743929,PC-id_92214638	441.424	XQDOIQCKLKBXRZ-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139743
s1c2c(CCC2)c(c1NC(NC(=O)c1ccccc1)(C(F)(F)F)C(=O)OC)C(=O)N	PC-id_5322263	441.424	XQDOIQCKLKBXRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139744
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/2c3n(N=C2C)c(nn3)C(O)C)C#N)cccc1	PC-id_21032572	441.424	PSEREUMNAKAOIF-ZHZULCJRSA-N	00000011100000110001100010000000000000000000000000000000	25-01-139745
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/c3n(N=C2C)c(nn3)C(O)C)C#N)cccc1	PC-id_58650657	441.424	PSEREUMNAKAOIF-XSFVSMFZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-139746
S(=O)(=O)(O)c1c(n2ncc(c2NN=C2c3n(N=C2C)c(nn3)C(O)C)C#N)cccc1	PC-id_73735479	441.424	PSEREUMNAKAOIF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-139747
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_333647007,MCULE-9811108562	441.436	BIGNRVKCEOTZQO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139748
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(F)c2)sc2CCCc2c1C#N	EMOLS-id_333649040,MCULE-8957842144	441.436	XAWPFIQQOMCCAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139749
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(C)c(F)c2)sc2CCCc2c1C#N	EMOLS-id_333680629,MCULE-6457372671	441.436	MKDDPAXJISVPTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139750
c1(NC(=O)COc2nonc2C(=O)NCc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_333716283,MCULE-9671483316	441.436	MEQMGZZASWYVCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139751
c1(NC(=O)COc2nonc2C(=O)NCc2ccccc2F)sc2CCCc2c1C#N	EMOLS-id_333717309,MCULE-9238476383	441.436	MUFHALHRSKBEIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139752
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F)C1CCCC1	SCHEMBL2162421,PC-id_24772159	441.439	JUZQBMUHUHTKSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139753
FC(F)(F)c1ccc(/C(=C/c2[nH]c3c(CC(=C3)/C=C(/c3ccc(cc3)C)C#N)c2)/[N+]#[C-])cc1	PC-id_58029050	441.447	VPSYSJQYWNUCHF-JHMKBZPASA-N	00000011100000110000000010000000000000000000000000000000	25-01-139754
FC(F)(F)c1ccc(C(=Cc2[nH]c3c(CC(=C3)C=C(c3ccc(cc3)C)C#N)c2)[N+]#[C-])cc1	PC-id_76667794	441.447	VPSYSJQYWNUCHF-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-139755
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334342563,MCULE-3332594181	441.457	KGIGZSUHVDFQFC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139756
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)c1onc(n1)C)C(=O)OC	PC-id_45776481	441.457	SFQADQHDSGJHIX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139757
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)N	PC-id_45630599	441.457	HZBUWFUJHIQKDA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139758
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)OC	PC-id_45694100	441.457	HGCNQKUNAPAYSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139759
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(n2nnnc2)ccc1)C(=O)OCC	PC-id_24342658	441.46	SFNPDEJAXWWVDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139760
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n2ncnc2)nccc1)C(=O)OCC	PC-id_45776886	441.46	GUTAATCZWIMDAZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-139761
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n2nnnc2)cccc1)C(=O)OCC	PC-id_24342774	441.46	XMQBIXGNQNMGRQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139762
S1Cc2c(nn(c2NC(=O)c2c(c([N+](=O)[O-])ccc2)C)CC(=O)NCc2occc2)C1	PC-id_44053289	441.46	JJOMHPQUJGTMAA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139763
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])c(cc2)C)CC(=O)NCc2occc2)C1	PC-id_44053290	441.46	IJNMOAGTXJGSKT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139764
S1Cc2c(nn(c2NC(=O)c2oc([N+](=O)[O-])cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053788	441.46	VJUHZPIXSJGJHS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139765
S1Cc2c(nn(c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCc2occc2)C1	PC-id_44053310	441.46	RMWXVTKHCUGUEW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-139766
c1(NC(=O)COc2nonc2CC(=O)NCCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_333686864,MCULE-6455133425	441.464	DQVPKWCSYFGNNU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139767
c1(NC(=O)COc2nonc2C(=O)NCCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_333714238,MCULE-6193583448	441.464	NDZVHHNOVRHHQJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139768
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2sc3CCCc3c2C(=O)OC(C)C)n1	PC-id_19590991,ZINC22_20607492,TIMTEC28997,MCULE-1985571073,EMOLS-id_8867481	441.467	ACIFDXHXUCJLCE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139769
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(Cc1ccccc1OC(F)(F)F)C	EMOLS-id_30000653,PC-id_24665135,MCULE-2468778475	441.467	JIQKHRGTJDWJKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139770
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccccc1OC(F)(F)F	CoCoCo_4683209,CoCoCo_4683208,PC-id_51648918,ZINC22_25534142	441.467	JIQKHRGTJDWJKX-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139771
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)Cc1ccccc1OC(F)(F)F	PC-id_51648920,CoCoCo_4683207,CoCoCo_4683206,ZINC22_25534147	441.467	JIQKHRGTJDWJKX-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-139772
c12c(CCC1C(=O)Nc1ccc(cc1OC)OC)sc(NC(=O)c1ccc(cc1)F)n2	MCULE-6764689428,PC-id_16947276,EMOLS-id_12346613	441.475	FBBWQRGIEXOTMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139773
c12c(CCC1C(=O)Nc1c(OC)ccc(OC)c1)sc(NC(=O)c1ccc(cc1)F)n2	EMOLS-id_12346615,PC-id_16947277,MCULE-2802649411	441.475	JODVSWZYGOGJJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139774
COc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)c(OC)c1	CoCoCo_5124780,PC-id_40945573,ZINC22_9131644	441.475	FBBWQRGIEXOTMF-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139775
COc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)c(OC)c1	ZINC22_9131643,PC-id_40945572,CoCoCo_5124781	441.475	FBBWQRGIEXOTMF-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139776
COc1ccc(OC)c(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)c1	CoCoCo_5124783,PC-id_40945574,ZINC22_9131645	441.475	JODVSWZYGOGJJQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139777
COc1ccc(OC)c(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc23)c1	ZINC22_9131646,PC-id_40945575,CoCoCo_5124782	441.475	JODVSWZYGOGJJQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139778
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(OC)c(OC)cc1	PC-id_16947275	441.475	NULGOCKRRKUPHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139779
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(F)cc1	PC-id_16948039	441.475	UTRSISWIIBKGKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139780
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(F)ccc1	PC-id_16948038	441.475	FVLBMHQLODMTBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139781
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(F)cccc1	PC-id_16948037	441.475	XQDCDPNKXZXMDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139782
Fc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Oc5ccccc5)c4)/c(=O)n3n2)cc1	ZINC22_16742054,EMOLS-id_45966525	441.477	BYVUEUMHBYKMAS-CEFCJMCMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139783
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)C=Cc1ccc(cc1)F	MCULE-7921467949	441.477	BYVUEUMHBYKMAS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139784
O=c1/c(=Cc2cccc(Oc3ccccc3)c2)/sc2nc(/C=C/c3ccc(F)cc3)nn12	ZINC22_39835535	441.477	BYVUEUMHBYKMAS-KJNJSDGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139785
CC1(c2c(CN1)c(nn2C(=O)O)NC(=O)C1CCCN(C1)C(=O)OCc1ccccc1)C	PC-id_137497870,SCHEMBL20741126	441.48	TUIGLCAZVBQTMC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139786
CC1(c2c(CN1)c(nn2C(=O)O)NC(=O)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1)C	SCHEMBL20741123,PC-id_137497867	441.48	TUIGLCAZVBQTMC-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139787
CCCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCOC1=O	PC-id_142660372	441.484	ZTBJBNMJSUKGGN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139788
c1(C(c2ccc(cc2)OC)CC(=O)NCc2cn3c(SCC3)n2)oc(C)cc(=O)c1O	MCULE-8783583354,PC-id_135640393,EMOLS-id_313515853,CNP0414668,STOCK1N-98222	441.5	CVWQADMTZDMKSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139789
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3060922763	441.5	UPBMHMNJVZXNFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139790
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4103020905	441.5	QARNCZHHAGWSHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139791
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2=O)cc1	CoCoCo_3136698,ZINC22_13131244,PC-id_25721470	441.5	NPWAUBUQFUOKFM-ZDUSSCGKSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139792
Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2=O)cc1	ZINC22_13131247,PC-id_25721471,CoCoCo_3136697	441.5	NPWAUBUQFUOKFM-CYBMUJFWSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139793
CCOc1ccc(S(=O)(=O)Nc2nc3n(c2C(=O)c2ccc(OC)cc2)CCC3)cc1	PC-id_75458251,ZINC22_95944150,EMOLS-id_48839058,MCULE-3148939454	441.5	KCBGLMRNEADATG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139794
COc1ccc([C@H](CC(=O)NCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)cc1	ZINC22_1547138241	441.5	CVWQADMTZDMKSI-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139795
COc1ccc([C@@H](CC(=O)NCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)cc1	ZINC22_1547138242	441.5	CVWQADMTZDMKSI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139796
COc1cc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1OCc1c(C)noc1C	ZINC22_9119638,EMOLS-id_3373739,PC-id_4782315,CoCoCo_3218551,MCULE-4800626033	441.5	MDDGKZBVSLFZCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139797
NC(=O)c1c(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)sc2c1CCC2	ZINC22_23063907,MCULE-7198283236,PC-id_30811799,EMOLS-id_24974154,CoCoCo_3937631	441.5	FADGUNNXBKBCSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139798
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)C1CN(C(=O)C1)c1ccc(cc1)C	EMOLS-id_3410732,PC-id_3541440,MCULE-8499548878	441.5	NPWAUBUQFUOKFM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139799
[O-][N+](=O)c1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)c1	EMOLS-id_334333863	441.5	QARNCZHHAGWSHQ-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139800
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334335918	441.5	UPBMHMNJVZXNFH-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139801
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCc2c(onc2C)C)cc1	PC-id_24414299	441.5	LTFFMJOWGXFFAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139802
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)/C(=C/c1ccccc1)/NC(=O)C)C)C(=O)N	PC-id_29962037	441.5	ANMAJMUIRWQQRC-COOUDCDJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139803
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)/C(=C/c1ccccc1)/NC(=O)C)C)C(=O)N	PC-id_29962041	441.5	ANMAJMUIRWQQRC-IEMQHYRPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139804
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C)C)C(=O)OC	PC-id_45605666	441.5	XFRDKDCYGHCAMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139805
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)COc1ccc(cc1)c1ccccc1	PC-id_92109495	441.522	IFSDFTWKNDYBMW-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-139844
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(cc1)C)C)C(=O)OC	PC-id_51909391	441.5	XFRDKDCYGHCAMP-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139806
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(cc1)C)C)C(=O)OC	PC-id_51909392	441.5	XFRDKDCYGHCAMP-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139807
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccccc1)C)C(=O)OCC	PC-id_45605423	441.5	SOFGDMPDZMYVQC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139808
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccccc1)C)C(=O)OCC	PC-id_51437452	441.5	SOFGDMPDZMYVQC-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139809
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccccc1)C)C(=O)OCC	PC-id_51437453	441.5	SOFGDMPDZMYVQC-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139810
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)Cc1ccccc1)C(=O)OCC	PC-id_3248486	441.5	BVKDCXHCAJABNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139811
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CC)c1ccccc1)C(=O)OC	PC-id_45605882	441.5	WDPMPSCHKSOFLO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139812
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(CC)c1ccccc1)C(=O)OC	PC-id_51911611	441.5	WDPMPSCHKSOFLO-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139813
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(CC)c1ccccc1)C(=O)OC	PC-id_51911612	441.5	WDPMPSCHKSOFLO-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139814
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(=Cc1ccccc1)NC(=O)C)C)C(=O)N	PC-id_74602391	441.5	ANMAJMUIRWQQRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139815
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-4355920915,EMOLS-id_322524785	441.502	ANHFSPAVCGRWMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139816
COc1cc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)ccc1O	EMOLS-id_324824567	441.502	XUMYUXRQKMRYPE-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139817
n12c(=O)c(=Cc3ccc(c(OC)c3)O)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6797389032	441.502	XUMYUXRQKMRYPE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139818
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1ccccc1	MCULE-9105885926	441.502	UILIYKXZAPIBBN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139819
O=c1n2nc(COc3ccccc3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324844277	441.502	UILIYKXZAPIBBN-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139820
c1(NC(=O)COc2cccnc2NC(=O)NCC2CCCO2)sc2c(CCC2)c1C#N	EMOLS-id_321871993,MCULE-9355770904	441.503	ROJXWRMMOURZPM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139821
c1(NC(=O)COc2nonc2C(=O)NCCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-2168231949,EMOLS-id_333713470	441.503	ABOOBOVUTDPQMN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-139822
OC(=O)CN(c1cc(ccc1C)c1noc(n1)C)CC(=O)N(N1Cc2c(C1)ccs2)C	SCHEMBL1025174,PC-id_66880257	441.503	PCXRMGUTLCGSHC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139823
Cn1nc(c2c1CCC2)CN(S(=O)(=O)Cc1ccc(cc1)C(F)(F)F)C1CCCC1	PC-id_92110062	441.51	ANNGBUFKGUIZAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139824
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC(C)C)S(=O)(=O)C	SCHEMBL17214002,PC-id_118479157	441.518	KZHGRLIOLKKAFS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139825
Cc1cc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)ccc1F	EMOLS-id_324833016	441.52	XWMIEBDBSYFORG-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139826
n12nc(nc1sc(=Cc1ccc(F)c(C)c1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3380584048	441.52	XWMIEBDBSYFORG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139827
s1c2c(CCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)NCc1occc1	PC-id_74552011	441.52	DJLWLETXZADIIA-UHFFFAOYSA-M	00000010101011000000000010000000000000000000000000000000	25-01-139828
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_74552006	441.52	ACOFFNWXKATAPN-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139829
s1c2c(CCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_74552008	441.52	CIHSSMSITUMPGT-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139830
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NCc1occc1	PC-id_28249514	441.52	DJLWLETXZADIIA-SJORKVTESA-M	00000010101011000000000010000000000000000000000000000000	25-01-139831
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NCc1occc1	PC-id_28249517	441.52	DJLWLETXZADIIA-IRXDYDNUSA-M	00000010101011000000000010000000000000000000000000000000	25-01-139832
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NCc1occc1	PC-id_28249520	441.52	DJLWLETXZADIIA-IAGOWNOFSA-M	00000010101011000000000010000000000000000000000000000000	25-01-139833
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NCc1occc1	PC-id_28249523	441.52	DJLWLETXZADIIA-DLBZAZTESA-M	00000010101011000000000010000000000000000000000000000000	25-01-139834
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_28249477	441.52	ACOFFNWXKATAPN-CVEARBPZSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139835
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_28249480	441.52	ACOFFNWXKATAPN-HOTGVXAUSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139836
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_28249484	441.52	ACOFFNWXKATAPN-HZPDHXFCSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139837
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_28249488	441.52	ACOFFNWXKATAPN-JKSUJKDBSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139838
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_28249490	441.52	CIHSSMSITUMPGT-KGLIPLIRSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139839
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_28249493	441.52	CIHSSMSITUMPGT-KBPBESRZSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139840
s1c2c(CCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_28249496	441.52	CIHSSMSITUMPGT-ZIAGYGMSSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139841
s1c2c(CCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_28249499	441.52	CIHSSMSITUMPGT-UONOGXRCSA-M	00000010100010110000000010000000000000000000000000000000	25-01-139842
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC1CCC(=O)N(Cc2ccccc2)C1=O	EMOLS-id_328215676,MCULE-8375913156	441.522	RGVATQUQLGEJFK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139843
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_44827493,MCULE-9132852329,EMOLS-id_32854358	441.523	XYPOTFNTYDBEEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139845
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)Cc2ccco2)sc2c(CCC2)c1C#N	ZINC22_10220681,CoCoCo_5183241,MCULE-9075361282,PC-id_16800186,EMOLS-id_5615212	441.523	SKNZLPVIGAJSQO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-139846
c1(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4520968,PC-id_1857184,STOCK3S-65584,ZINC22_2225316,MCULE-4496306948	441.523	GUEVVLZOHLYQGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139847
CC1(c2c(CN1C(=O)OC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)C1CCOC1)C	PC-id_89801096,SCHEMBL15252768	441.523	PDZGLFIDLJUFJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139848
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCO1)C	PC-id_66941264,SCHEMBL1204779	441.523	FDPSERWZLVMCNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139849
CNC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCCO1	SCHEMBL14521359,PC-id_71191361	441.523	RQFCAJGBARSKGX-QRWMCTBCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139850
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCO1)C	PC-id_57523706,SCHEMBL1206394,BindingDB_PC-id_57523706	441.523	FDPSERWZLVMCNT-QRWMCTBCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139851
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1COCC1)C	SCHEMBL12879459,PC-id_58015680	441.523	PDZGLFIDLJUFJH-UHUGOGIASA-N	00000010100000110001000010000000000000000000000000000000	25-01-139852
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)[C@@H]1CCCO1)C	PC-id_51353907,SCHEMBL1204776	441.523	FDPSERWZLVMCNT-ZWKOTPCHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139853
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)[C@H]1CCCO1)C	SCHEMBL12878959,PC-id_24765799	441.523	FDPSERWZLVMCNT-QZTJIDSGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139854
O=C(c1ccccc1NS(=O)(=O)c1ccccc1)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_16349189,CoCoCo_2590304,PC-id_22582896,MCULE-2315829846	441.523	XGQYOWRDCRTGDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139855
O(C(=O)N1C(c2[nH]nc(NC(=O)C3OCCCC3)c2C1)(C)C)C(CNC)c1ccccc1	PC-id_78025437	441.523	RQFCAJGBARSKGX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139856
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	PC-id_27684730	441.523	AZIOYLYZNABDQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139857
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)c1ccc(cc1)C)C(=O)N	PC-id_46826732	441.523	UBDIPJFEVIKQAX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139858
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(nc1C)c1ccccc1)C(=O)N	PC-id_27747075	441.523	CVPCTVSROKYKON-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139859
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)C=Cc1ccccc1)C(=O)OC	PC-id_3317683	441.523	BCXGBDYJQGKEKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139860
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)/C=C/c1ccccc1)C(=O)OC	PC-id_5791600	441.523	BCXGBDYJQGKEKK-ZHACJKMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139861
C[C@@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1coc(n1)C1CC1	PC-id_59508260,BindingDB_PC-id_59508260,SCHEMBL597988	441.527	DZEILUYHOLHXQV-OLZOCXBDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-139862
Clc1ccc(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)cc1	PC-id_16947855	441.93	DXRYAHIJIPSKTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139994
C[C@@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1noc(c1)C1CC1	PC-id_59508229,SCHEMBL598476,BindingDB_PC-id_59508229	441.527	QGALZKADVNRDNW-OLZOCXBDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-139863
N#Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCC2	PC-id_17103784,ZINC22_14269921	441.527	PTRULXXSCCPOHO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-139864
OCC[C@@H]1CN(CCN1CCC)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	PC-id_122626105,SCHEMBL18155645	441.527	IHILNVHGMUKWPC-OEMAIJDKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139865
OCC[C@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508325,SCHEMBL603205,BindingDB_PC-id_59508325	441.527	LFBVGQMNNKWIST-GJZGRUSLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139866
OCC[C@@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL602154,BindingDB_PC-id_59508148,PC-id_59508148	441.527	LFBVGQMNNKWIST-LSDHHAIUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139867
OCCCN1CCN(C(C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508296,SCHEMBL10076802	441.527	MOTLHHXNXDYEHZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-139868
O=C(N1C(c2[nH]nc(NC(=O)c3nc(oc3)C3CC3)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72310394	441.527	DZEILUYHOLHXQV-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-139869
O=C(N1C(c2[nH]nc(NC(=O)c3noc(C4CC4)c3)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72310366	441.527	QGALZKADVNRDNW-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-139870
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1scc(n1)CC(=O)N	PC-id_49706305	441.527	IWOMXBVHDXPSAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139871
O=C(Cc1ccc(cc1F)F)Nc1sc2c(n1)[C@@H](N(C2)Cc1ccc(cc1)C)C(C)C	SCHEMBL18368065	441.537	VRUNLHREMHOILD-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139872
c1(c2CCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1ccc(cc1)C(=O)OCC	EMOLS-id_2185702,MCULE-9109419686,CoCoCo_867781,PC-id_1328691,ZINC22_16193116	441.543	VKOYANUEVCLJCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139873
c1(c2CCCc2sc1NC(=O)CN1CCCCC1)C(=O)Nc1ccccc1C(=O)OC	MCULE-8488664083,ZINC22_16192838,CoCoCo_865949,EMOLS-id_2184500,PC-id_1328307	441.543	XFTMVGSHQVQLMR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139874
c1(NC(=O)C(=O)N2CCN(CC2)Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	STOCK6S-14894,EMOLS-id_4746960,MCULE-6627882536,ZINC22_20589543,PC-id_16425420	441.543	OLZDANFOCVBNKW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139875
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OC	PC-id_22197369	441.543	AWUORWRHFQJVQU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139876
s1c2c(CCC2)c(c1NC(=O)CNc1cc(C(=O)NC2CC2)ccc1C)C(=O)OCC	PC-id_55897356	441.543	GPIZCVRIECVAOH-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-139877
s1c2c(nc1NC(=O)c1ccc(cc1)C)C(CC2)C(=O)N1CC(CCC1)C(=O)OCC	PC-id_16947500	441.543	ASGNPTCDOKJCIR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139878
s1c2c(nc1NC(=O)c1ccc(cc1)C)C(CC2)C(=O)N1CCC(CC1)C(=O)OCC	PC-id_16947501	441.543	XOBOZYWSAYKTTK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139879
S1(=O)(=O)CC(NS(=O)(=O)c2ccc(cc2)C(=O)Nc2sc3CCCc3n2)CC1	PC-id_43054501	441.545	VJOIGQBYHMIWLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139880
S1(=O)(=O)CC(NS(=O)(=O)c2cc(ccc2)C(=O)Nc2sc3CCCc3n2)CC1	PC-id_43054502	441.545	LFWSXDGJTSDSEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139881
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C)C2)c2CSCc2nn1CC(=O)NCCC	EMOLS-id_24913215,MCULE-7878377033,PC-id_44052926	441.546	IIXDBOMRWOKWEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139882
c1(NC(=O)COc2cccnc2NC(=O)N(CCCC)CC)sc2c(CCC2)c1C#N	EMOLS-id_321859000,MCULE-2116914832	441.546	AHQVQEXQMBJXRN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139883
c1(NC(=O)COc2cccnc2NC(=O)NCCCCCC)sc2c(CCC2)c1C#N	MCULE-1809958209,EMOLS-id_321873528	441.546	YNICUSYLVKMVQQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139884
c1(NC(=O)COc2cccnc2NC(=O)N(CCC)CCC)sc2c(CCC2)c1C#N	MCULE-8227340596,EMOLS-id_321858232	441.546	LCLUYOXUZOLEPK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139885
CCCNC(=O)Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccc(C)cc3)C1)CSC2	PC-id_30862198,CoCoCo_5277540,ZINC22_23138872	441.546	IIXDBOMRWOKWEU-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139886
CCCNC(=O)Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccc(C)cc3)C1)CSC2	ZINC22_23138869,PC-id_30862196,CoCoCo_5277539	441.546	IIXDBOMRWOKWEU-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139887
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)Nc1nccc(c1)C)C(=O)N	PC-id_55922037	441.546	UHBCUYTZSSCJIS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-139888
N#Cc1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C#N	SCHEMBL18368011	441.548	GJZUWXAUUPNUKF-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139889
c1(NC(=O)CN2CCN(CC2)c2nnc(c(=O)[nH]2)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-2146726018,EMOLS-id_322524002	441.55	OSZCHOIMUZVBEP-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-139890
O=CC(NC(=O)C1NN=C(N1)Cc1ccccc1)CCn1nc2c(c1N(C)C)CSC2	SCHEMBL19659126	441.55	GXYGSSFOHCQFRC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-139891
c1(C(=O)OCC)c2CCCc2sc1CC(=O)COC(=O)C(CCSC)NC(=O)C	PC-id_121606052,EMOLS-id_85147872,MCULE-7253113158	441.561	RSMFDBLPHKRILC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139892
CCOC(=O)c1c(CC(=O)COC(=O)[C@H](CCSC)NC(=O)C)sc2c1CCC2	ZINC22_407947208	441.561	RSMFDBLPHKRILC-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139893
CCOC(=O)c1c(CC(=O)COC(=O)[C@@H](CCSC)NC(=O)C)sc2c1CCC2	ZINC22_407947209	441.561	RSMFDBLPHKRILC-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139894
Fc1c(C[NH+]2CCC(CC2)CN(CC2OCCC2)C(=O)c2n[nH]c3c2CCC3)cccc1	PC-id_74414560	441.561	FUNNFBTXRCWBNB-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-139895
Fc1c(C[NH+]2CCC(CC2)CN(C[C@H]2OCCC2)C(=O)c2n[nH]c3c2CCC3)cccc1	PC-id_25277483	441.561	FUNNFBTXRCWBNB-FQEVSTJZSA-O	00000010100010110001000010000000000000000000000000000000	25-01-139896
Fc1c(C[NH+]2CCC(CC2)CN(C[C@@H]2OCCC2)C(=O)c2n[nH]c3c2CCC3)cccc1	PC-id_25277485	441.561	FUNNFBTXRCWBNB-HXUWFJFHSA-O	00000010100010110001000010000000000000000000000000000000	25-01-139897
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(ccc(c1)C)C)C(=O)OC	PC-id_19471605	441.563	LQUSYNGGSSDAFA-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-139898
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1cc(c(cc1)C)C)C(=O)OC	PC-id_19471849	441.563	VCORDVFYCLCQCW-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-139899
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(cc(cc1)C)C)C(=O)OC	PC-id_19483544	441.563	DYOIELGZKKSTLR-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-139900
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(cccc1C)C)C(=O)OC	PC-id_19486968	441.563	MPSPFXHSAPFCKS-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-139901
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(c(ccc1)C)C)C(=O)OC	PC-id_19495238	441.563	PSGABEHOOHOLHF-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-139902
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1cc(cc(c1)C)C)C(=O)OC	PC-id_19505408	441.563	VRQUUZAOINZBJN-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-139903
C=N/C(=CC(=C(C)C)c1cnn2c1CC(C2)(C)C)/NC(=O)[C@H]1CCC[C@H](C1)NC(=O)CO	SCHEMBL19719263	441.566	NSJNLXXWCJLJPT-FXMMDWOBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-139904
O=C(C(C)C)Nc1cccc(c1)N1CCN(CC1)CCCCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_53947577,PC-id_53947577	441.566	JCCMUJKVDQOUSX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139905
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[N@@H+]1CC[C@H](CC1)C(=O)NCc1ccccc1	GD-id_ZINC15524391	441.566	DUULLCACIQLPPF-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-139906
O=C(NC(c1ccccc1)C)Nc1ccc(cc1)S(=O)(=O)Cc1sc2c(c1)CNC2	SCHEMBL19377265	441.566	VTIIIQWMGGTQNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139907
s1c2CCCc2c(c1NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1)C#N	PC-id_4955514	441.566	ZYYMHHLLVPTUAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139908
s1c(NC(=O)[C@@H]([NH+]2CCC(CC2)C(=O)Nc2ccccc2)C)c(c2CCCc12)C(=O)N	PC-id_41138892	441.566	MZNHZROICOSDDD-AWEZNQCLSA-O	00000010100010110000000010000000000000000000000000000000	25-01-139909
s1c(NC(=O)[C@H]([NH+]2CCC(CC2)C(=O)Nc2ccccc2)C)c(c2CCCc12)C(=O)N	PC-id_41138894	441.566	MZNHZROICOSDDD-CQSZACIVSA-O	00000010100010110000000010000000000000000000000000000000	25-01-139910
s1c(NC(=O)C([NH+]2CCC(CC2)C(=O)Nc2ccccc2)C)c(c2CCCc12)C(=O)N	PC-id_74748865	441.566	MZNHZROICOSDDD-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-139911
S(=O)(=O)(N(Cc1ccccc1)CC)c1ccc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_4109861	441.566	DOJVANBOHRQDLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139912
CSc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324822522	441.568	OVNBOOHYRNUPHR-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139913
n12c(=O)c(=Cc3ccc(cc3)SC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8286159824	441.568	OVNBOOHYRNUPHR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-139914
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nncn1c1cccc(c1C)C	SCHEMBL21082541,PC-id_138706264	441.57	UEIPLEVHTZVQCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139915
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1C)Cc1ccccc1	MCULE-7307305817,SCHEMBL20936196,PC-id_16342770,EMOLS-id_3631940	441.57	LTZPSUHCROTGOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139916
C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4180052,ZINC22_9637827,PC-id_41154770	441.57	LTZPSUHCROTGOD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139917
C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9637832,PC-id_41154774,CoCoCo_4180053	441.57	LTZPSUHCROTGOD-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139918
CCNC(=NCc1ccc(cc1)CN(C(=O)OC(C)(C)C)C)NCc1nnc2n1CCC2	PC-id_112393998	441.57	FXYRLRSUYSUKEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139919
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC)C(=O)N	PC-id_3181033	441.57	ZGIFIIYICPOKHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139920
C[C@H]1CN(C(C1)(C)CNC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1ccnc(n1)N(C)C)C	SCHEMBL19200994	441.573	PFQKWVHZZYSTKK-HNNQXCQYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-139921
C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3ccnc(n3)N(C)C)n[nH]c2C1(C)C	PC-id_59334000,BindingDB-id_546036,SCHEMBL3331301,BindingDB_PC-id_59334000	441.573	RSBIYYBKMTVJFZ-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-139922
CCNc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NCC1(C)C[C@H](CN1C)C	SCHEMBL19200592	441.573	NOEXCTUZIBLTEJ-HNNQXCQYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-139923
CCNc1nccc(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1	SCHEMBL7016391,BindingDB-id_546035,BindingDB_PC-id_25156024,PC-id_25156024	441.573	ULEAFQYUMKDDJU-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-139924
CCCCCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1F	PC-id_20351609,SCHEMBL11603473	441.578	PFZYDCPOFWUUPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139925
CCCCC([C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)NS(=O)(=O)C)O)C	PC-id_70486965,SCHEMBL10987146	441.581	WFZVYKBRUCWMEK-FIELZCBUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139926
CCCCC([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)NS(=O)(=O)C)O)C	PC-id_70486969,SCHEMBL10987154	441.581	WFZVYKBRUCWMEK-KDGAUACUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139927
CCCC[C@@H]([C@@H](C=C[C@H]1[C@H](O)Cc2c1cc(o2)CCCCC(=O)NS(=O)(=O)C)O)C	PC-id_70486968,SCHEMBL10987152	441.581	WFZVYKBRUCWMEK-JQERWDHBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139928
S(=O)(=O)(NC(=O)CCCCc1oc2c(C(C(O)C2)C=CC(O)C(CCCC)C)c1)C	PC-id_77975810	441.581	WFZVYKBRUCWMEK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139929
c1(c2CCCc2sc1NC(=O)CN1CCCC(C)C1)C(=O)Nc1ccccc1OCC	EMOLS-id_2186506,MCULE-2673642114,PC-id_2923750	441.586	MKVGNWWKDKNZET-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139930
c1(c2CCCc2sc1NC(=O)CN1CCCC(C)C1)C(=O)Nc1ccc(cc1)OCC	MCULE-1725345701,PC-id_4529597,EMOLS-id_2783532	441.586	IRBKKNKWSQXHHA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139931
c1(c2CCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccc(cc1)OCC	PC-id_1328139,ZINC22_16192726,MCULE-6641035858,EMOLS-id_2184022,CoCoCo_865203	441.586	UQLOODUWBYYEGV-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-139932
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCCCCC)sc2CCCc2c1C#N	MCULE-4584670119,EMOLS-id_331631811	441.586	OJIMGLKXHZGPIF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-139933
CCCOc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1OCC	EMOLS-id_324903944	441.586	NOYQLEVNOBYBNU-PGMHBOJBSA-N	00000000100010110001000010000000000000000000000000000000	25-01-139934
CCOc1ccccc1NC(=O)c1c(NC(=O)CN2CCC[C@H](C)C2)sc2c1CCC2	CoCoCo_868755,CoCoCo_868757,PC-id_1328869,ZINC22_16193249	441.586	MKVGNWWKDKNZET-INIZCTEOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139935
CCOc1ccccc1NC(=O)c1c(NC(=O)CN2CCC[C@@H](C)C2)sc2c1CCC2	CoCoCo_868758,CoCoCo_868756,PC-id_1328868,ZINC22_16193247	441.586	MKVGNWWKDKNZET-MRXNPFEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139936
CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@H](C)C3)sc3c2CCC3)cc1	CoCoCo_6728245,PC-id_26874977,ZINC22_15946031,CoCoCo_6728247	441.586	IRBKKNKWSQXHHA-INIZCTEOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139937
CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@@H](C)C3)sc3c2CCC3)cc1	ZINC22_15946029,CoCoCo_6728246,CoCoCo_6728248,PC-id_26874975	441.586	IRBKKNKWSQXHHA-MRXNPFEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-139938
CCOC(=O)c1c(NC(=O)CN2CCCN(Cc3ccccc3)CC2)sc2c1CCC2	ZINC22_22930935,PC-id_16608523,CoCoCo_4573201,EMOLS-id_14010106,CoCoCo_4573203,CoCoCo_4573204,MCULE-3467565611,CoCoCo_4573202	441.586	AKKQRXPGXNGXRM-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-139939
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)CCC1CCCCC1	MCULE-8862664429	441.586	NOYQLEVNOBYBNU-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-139940
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OCC	PC-id_22199336	441.586	KVDWXMNFLOAOJQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139941
s1c2c(CCC2)c(c1NC(=O)CN1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OCC	PC-id_22199629	441.586	VQSUKJLPJHLDLU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139942
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)C(=O)OCC	PC-id_17280664	441.586	HRMFRRMDASDYKV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139943
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1c(cccc1)C)C(=O)OCC	PC-id_22195313	441.586	UKGQGIYJMXICQX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139944
s1c2c(nc1NC(=O)c1ccc(OC)cc1)C(C(=O)NC1CC(CC(C1)C)(C)C)CC2	PC-id_16947844	441.586	ITJUEKMXPIQEKK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139945
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CC[N@H+](CC1)[C@@H]1CCS(=O)(=O)C1	GD-id_ZINC22808216,PC-id_51621565	441.588	ONFQQEFHJHLUHD-QWHCGFSZSA-O	00000010100010000001100010000000000000000000000000000000	25-01-139946
S1(=O)(=O)C[C@H]([NH+]2CCN(CC2)[C@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)CC1	PC-id_51621566	441.588	ONFQQEFHJHLUHD-CHWSQXEVSA-O	00000010100010000001100010000000000000000000000000000000	25-01-139947
S1(=O)(=O)C[C@@H]([NH+]2CCN(CC2)[C@@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)CC1	PC-id_51621567	441.588	ONFQQEFHJHLUHD-STQMWFEESA-O	00000010100010000001100010000000000000000000000000000000	25-01-139948
S1(=O)(=O)C[C@@H]([NH+]2CCN(CC2)[C@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)CC1	PC-id_51621568	441.588	ONFQQEFHJHLUHD-OLZOCXBDSA-O	00000010100010000001100010000000000000000000000000000000	25-01-139949
S1(=O)(=O)CC([NH+]2CCN(CC2)C(C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)CC1	PC-id_75687973	441.588	ONFQQEFHJHLUHD-UHFFFAOYSA-O	00000010100010000001100010000000000000000000000000000000	25-01-139950
c1(NC(=O)CSc2scc(c3ccc(cc3C)OC)n2)sc2c(CCC2)c1C#N	MCULE-5359837670,EMOLS-id_324922452	441.589	VDAPWLPSXJFLTC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139951
c1(NC(=O)CSc2scc(c3ccccc3OCC)n2)sc2c(CCC2)c1C#N	EMOLS-id_324875586,MCULE-9774380194	441.589	KQJZWXSZDHJCPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139952
c1(NC(=O)CSc2scc(c3ccc(cc3)OCC)n2)sc2c(CCC2)c1C#N	EMOLS-id_324911402,MCULE-6625887338	441.589	DLUBQKUTZMUTQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-139953
O=C(CSc1ccccc1C(=O)NCc1nnc2n1CCC2)NC1CCCCCCC1	ZINC22_24444268,CoCoCo_4780276,EMOLS-id_29622335,PC-id_31821302,MCULE-9478050591	441.59	SSINQLPOIMNCOM-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-139954
CCOC(=O)c1c(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_6599770,PC-id_40629077,CoCoCo_49045	441.8	FUQFBSWAHNKNEH-INIZCTEOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139974
N#Cc1c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)sc2c1CCC2	CoCoCo_3976550,PC-id_16320186,MCULE-5090957994,ZINC22_13114742,EMOLS-id_11752542	441.593	BMILINKHZLYSCC-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-139955
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CSc1ccccc1)C)C#N	PC-id_39809103	441.593	ZOXZFJMOWSUPLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139956
s1c2CCCc2c(c1NC(=O)CSc1sc(Nc2c(c(ccc2)C)C)nn1)C#N	PC-id_16531226	441.593	KZZPUEFPRSLRFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139957
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccc(N2CCCCC2)cc1)C)C)C(=O)N	PC-id_40821546	441.609	PUEYXWHTVVVONK-INIZCTEOSA-O	00000010100010110000100010000000000000000000000000000000	25-01-139958
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccc(N2CCCCC2)cc1)C)C)C(=O)N	PC-id_40821549	441.609	PUEYXWHTVVVONK-MRXNPFEDSA-O	00000010100010110000100010000000000000000000000000000000	25-01-139959
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(N2CCCCC2)cccc1)C)C)C(=O)N	PC-id_41138162	441.609	HNLXBKGENBJWBI-INIZCTEOSA-O	00000010100010110000100010000000000000000000000000000000	25-01-139960
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(N2CCCCC2)cccc1)C)C)C(=O)N	PC-id_41138164	441.609	HNLXBKGENBJWBI-MRXNPFEDSA-O	00000010100010110000100010000000000000000000000000000000	25-01-139961
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1ccc(N2CCCCC2)cc1)C)C)C(=O)N	PC-id_74718849	441.609	PUEYXWHTVVVONK-UHFFFAOYSA-O	00000010100010110000100010000000000000000000000000000000	25-01-139962
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(N2CCCCC2)cccc1)C)C)C(=O)N	PC-id_74748812	441.609	HNLXBKGENBJWBI-UHFFFAOYSA-O	00000010100010110000100010000000000000000000000000000000	25-01-139963
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)C/C=C/c1ccccc1)C(=O)OC	PC-id_19655403	441.609	PQSPQWMBYDMHSX-RMKNXTFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139964
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)CC=Cc1ccccc1)C(=O)OC	PC-id_73630917	441.609	PQSPQWMBYDMHSX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139965
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCCCCCC)cc1)C#N	PC-id_4955532	441.609	LYNVSTMIBVSPMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139966
CCCCN1N(C)C2=C(C1=C)N(C(N2)Cc1cccc(c1)C#N)Cc1ccc(cc1)CCC	PC-id_144762184	441.611	AFXAYVUMDIGOMA-UHFFFAOYSA-N	00000011000000110001000010000000000000000000000000000000	25-01-139967
CCn1c(nnc1Cc1ccccc1)SC(CNc1sc2c(c1C(=O)N)CCC2)C	PC-id_138706228,SCHEMBL21082491	441.613	DRZQONSNARFTIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139968
c1(NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	BAS-00354903,EMOLS-id_638822,STOCK1S-57735,MCULE-2174555413,PC-id_3101959,TIMTEC214942	441.8	IHSDVGKWNLSOET-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139969
c1(NC(NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c(CCC2)c1C(=O)OCC	STOCK1S-66345,MCULE-6481913835,TIMTEC156866,BAS-00354904,PC-id_3101960,EMOLS-id_638812,SPECS-id_AT-225/NB93171	441.8	FUQFBSWAHNKNEH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139970
CCOC(=O)c1c(N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49043,ZINC22_822197,PC-id_1098564	441.8	IHSDVGKWNLSOET-CQSZACIVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139971
CCOC(=O)c1c(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_40629080,ZINC22_6599777,CoCoCo_49044	441.8	FUQFBSWAHNKNEH-MRXNPFEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139972
CCOC(=O)c1c(N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_2272499,PC-id_1898138,CoCoCo_49042	441.8	IHSDVGKWNLSOET-AWEZNQCLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-139973
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c(Cl)cn(n2)Cc2cnn(CC)c2)n1	MCULE-5862997003,EMOLS-id_8867671,TIMTEC521975,ZINC22_20607515,PC-id_19591083	441.838	WFXHDGCOBRSWFZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139975
O=C(c1cc(ccc1Cl)C(F)(F)F)NOC1CCC(CC1)Cn1ncc2c1CCC2	PC-id_144230194	441.874	WWPFLSYZSVMOKE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139976
Clc1c(n(nc1C)CC(=O)OCOC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_24126175	441.886	VUVYLEYVRCTIBB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-139977
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccc(cc1)Cl	MCULE-3621861389,ZINC22_1188408,EMOLS-id_2085786,ChEMBL-DNDi_CHEMBL3759-1306,CoCoCo_665639,PC-id_1350540	441.887	XMHWVUXEVHRGCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139978
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481363,SCHEMBL5542496	441.889	IOVUWAHUNGFSOZ-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139979
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5540362,PC-id_69480807	441.889	IOVUWAHUNGFSOZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139980
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1cc([nH]n1)CCOc1ccccc1Cl	MCULE-8771594832,BDF-25426018,EMOLS-id_264231	441.911	JSTVSAPXVDORIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139981
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1cc([nH]n1)CCOc1cccc(Cl)c1	EMOLS-id_264233,BDF-25426019,MCULE-5681398727	441.911	MJAJMBSOWMBWBO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139982
c1(C(=O)N2CCN(CC2)C(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c2CCCc2[nH]n1	EMOLS-id_323258298,MCULE-9075693220	441.911	QILAYSUORQPEED-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139983
Clc1c(NC(=O)c2n3c(CCC3)c(c2NC(=O)CCN2CCOCC2)C#N)cccc1	PC-id_51039304	441.911	CVWPTPYFXFAIRZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-139984
O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1	ZINC22_257251899	441.911	JSTVSAPXVDORIR-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139985
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1	ZINC22_257251900	441.911	JSTVSAPXVDORIR-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139986
O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1	ZINC22_257267852	441.911	MJAJMBSOWMBWBO-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139987
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1	ZINC22_257267853	441.911	MJAJMBSOWMBWBO-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-139988
CN(C(=O)Cc1[nH]c(=S)n2c1C(CC2)Cc1c(F)ccc(c1F)Cl)C1CCOC1	SCHEMBL21136710,PC-id_139294206	441.922	BGYRYRFBOSFLPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139989
COc1ccc(cc1Cl)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331220337	441.927	OZOCITLWJFDVKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-139990
c1(NC(=O)c2ccc(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-8459724399,PC-id_18884050	441.93	GIRVGPWHWUWTIA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-139991
c1(NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-3945056802,PC-id_18883987	441.93	IUZZXNAZNKXWPH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-139992
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883968,MCULE-7310678969	441.93	LIXCWCOTLRRVKR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-139993
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(c(OC)cc2)C)cc1	PC-id_16947467	441.93	TWPQJCAXOJNIGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139995
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(OCC)cc2)cc1	PC-id_16947414	441.93	WVXUAGUBYIBHQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139996
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(OC)ccc(c2)C)cc1	PC-id_16947445	441.93	KICZLAGUVYRURJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139997
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(OC)cc(cc2)C)cc1	PC-id_16947466	441.93	PWRKJBHTYIBLNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139998
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(OCC)cccc2)cc1	PC-id_16947413	441.93	MRNNYGSSUPCEAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-139999
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2ccc(OC)cc2)cc1	PC-id_16947375	441.93	PVZGLYNVMKFVTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140000
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2cc(OC)ccc2)cc1	PC-id_16947460	441.93	PPSQPYJOHJVWFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140001
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2c(OC)cccc2)cc1	PC-id_16947376	441.93	JVDDVSJQPRGPKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140002
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)ccc1OC	PC-id_16947632	441.93	ZTTNILIUURYZKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140003
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)c(OC)cc1	PC-id_16947604	441.93	SOXAKUICWHXIDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140004
Clc1c(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)ccc1)C	PC-id_16947914	441.93	UAOFPNSOKHYDCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140005
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)c(cc1)C	PC-id_16947915	441.93	FFZBCNKQGYUXDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140006
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)ccc1C	PC-id_16947916	441.93	HEZRVCZOIDVSTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140007
Clc1c(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)cccc1	PC-id_16947849	441.93	CCFKUNVBEFBZOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140008
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	CoCoCo_5138095,MCULE-3314818048,PC-id_16799520,EMOLS-id_5565174,ZINC22_16047952	441.949	INPBKFCFDWVGOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140009
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_41319619	441.949	BBBNZMAQVUQABW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140010
Clc1c(S(=O)(=O)NCC2OCCC2)cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_43054503	441.952	MDGWEHVKZCXXIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140011
Clc1cncc(n1)N1CCN(CC1)CCCCN1C(=O)c2c(S1(=O)=O)csc2	SCHEMBL9827542,CHEMBL1194790,PC-id_14099277	441.955	YLFRRDDGRRJVDK-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-140012
Clc1nccnc1N1CCN(CC1)CCCCN1C(=O)c2c(S1(=O)=O)csc2	PC-id_14099276,SCHEMBL9826842,CHEMBL1192879	441.955	XUZIVQZWLVBRGU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-140013
Clc1nnc(N2CCN(CCCCN3S(=O)(=O)c4c(C3=O)csc4)CC2)cc1	CHEMBL1188285,PC-id_44265169	441.955	YZXCHMRXLGKGFF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-140014
Clc1sc2c(c1)S(=O)(=O)N(C2=O)CCCCN1CCN(CC1)c1ncccn1	PC-id_23049942,SCHEMBL9374287	441.955	MWIQKABSOKLMPQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-140015
Cc1csc2nc(Cl)c(/C=c/3sc4nc(CCc5ccc(C)cc5)nn4c3=O)n12	EMOLS-id_324904974	441.957	TWBWNWOFJHHRBE-DHDCSXOGSA-N	00000000100000110001000110000000000000000000000000000000	25-01-140016
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CCc1ccc(cc1)C	MCULE-6140710217	441.957	TWBWNWOFJHHRBE-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-140017
C1CC2=CSC(=C2C1)C(=O)CC(C3=CC(=C(C(=C3)Cl)Cl)Cl)(C(F)(F)F)O	PC-id_151006816	441.958	LVGJVUHJDKVHAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140018
CC[C@@H]1N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)CO	SCHEMBL18367989	441.974	SAPWUQRYYDAGLD-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-140019
Clc1ccc(s1)S(=O)(=O)N1CCCC1C(=O)Nc1sc2CCCc2c1C#N	PC-id_16800104,EMOLS-id_5605901,MCULE-1627013132	441.975	DWTIIQOJIQUQEB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140020
N#Cc1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CCC2	CoCoCo_5175160,ZINC22_10187180,PC-id_41398079	441.975	DWTIIQOJIQUQEB-GFCCVEGCSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140021
N#Cc1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CCC2	PC-id_41398080,ZINC22_10187181,CoCoCo_5175161	441.975	DWTIIQOJIQUQEB-LBPRGKRZSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140022
CCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C=C)Cl	SCHEMBL10817083,PC-id_20253920	441.99	PNPYDWPCCZDTLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140023
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2CN)CCC3)c1	BindingDB_PC-id_44324448,PC-id_44324448,CHEMBL313359	441.995	BAIVDVSLPPEYAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140024
Cl.S1(=O)(=O)N=C(c2c1csc2)NCCCOc1cc(CN2CCCC2)ccc1	CHEMBL544941	441.995	OBYNYOCSEDGGKS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-140025
Ic1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)C	PC-id_78141114	442.044	BZQBGAJXMOLLHS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140026
Ic1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)C	PC-id_71658029	442.044	BZQBGAJXMOLLHS-PAWACCKXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140027
COC1=CC=C(C=C1)CC2=C(N3[C@H](S2)/C(=CC4=CN5CCS(=O)C5=N4)/C3=O)C(=O)[O-]	PC-id_154423261	442.054	GIFXPIWVQVHRHW-UTCHNTNFSA-M	00001011100000110001001010000000000000000000000000000000	25-01-140028
CC1=NC=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)N[C@H](C)C(F)(F)F	PC-id_165032561	442.102	XMWQYBPLEXARTQ-SNVBAGLBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140029
COc1ccccc1-n1cc(COC(=O)C2CCn3c(C(=O)c4ccccc4)ccc32)nn1	PC-id_137631969,PD134460,BindingDB_PC-id_137631969	442.16	AFLUUMVQPAIWBM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140030
CC1=CC(=CC=C1)CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)NC#N	PC-id_161855990	442.212	YNWMKYMIHIYSGN-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140031
CCOC(=O)c1c(Nc2ccc(cc2F)I)n(c2c1CCC2=O)C	PC-id_25124482,SCHEMBL4755503	442.223	WZHJOWHSRYKKLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140032
CCCC[Sn](c1cc2c(s1)C(=O)N(C2)C)(CCCC)CCCC	PC-id_140122517	442.237	KMJZSYNOOVSZAB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140033
CC1=NC=CC(=N1)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4CCOCC4	PC-id_164993359	442.28	ZGVDKJQGDZCRMV-QGZVFWFLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140037
Brc1c2n(CCC2C(=O)OC)c(c1)C(=O)c1cc(S(=O)(=O)OC)ccc1	PC-id_20405049,SCHEMBL11012129	442.281	XZOUEVJYZDRPCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140038
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)o2)sc2c1CCC2	CoCoCo_2917372,ZINC22_3577993,MCULE-6391885146,EMOLS-id_11849714,PC-id_2694721	442.281	IEOSWFAZYJTSJG-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-140039
Brc1c(c2oc(C=Nc3sc4CCCc4c3C#N)cc2)ccc([N+](=O)[O-])c1	PC-id_50886050	442.286	OGFVWEWCFYBSRJ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-140040
Ic1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328220277,MCULE-4549351002	442.293	MTJWBETYRUTWCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140041
Ic1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	MCULE-4589280567,EMOLS-id_328216703	442.293	TZFORSJNVZICCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140042
CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2Br)sc2c1CCC2	PC-id_2506845,EMOLS-id_43786933,MCULE-1265371021,ZINC22_3388650,CoCoCo_3126264	442.299	XJQRFMNOZXJJLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140043
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324921347	442.304	JKJFNYPFWDZUDY-XEWCJNAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140044
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_324920320	442.304	GRRVFAUHSYXQAR-VBZZJEHLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140045
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)C=Cc1ccc(cc1)C	MCULE-2023465040	442.304	JKJFNYPFWDZUDY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140046
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)C=Cc1ccc(cc1)C	MCULE-5618688280	442.304	GRRVFAUHSYXQAR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140047
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(Cl)c1	PC-id_5007229	442.313	DWAZZEIKJNMXPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140048
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(Cl)cc1	PC-id_4392577	442.313	VTHAAKZKYCKLFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140049
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_16523185	442.313	YTZHCDZAUHKZKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140050
Clc1c(N)c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc(Cl)c1	PC-id_74656464	442.316	UXYZXPODTMNLNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140051
Clc1c(N)c(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc(Cl)c1	PC-id_37289406	442.316	UXYZXPODTMNLNU-SSDOTTSWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140052
Clc1c(N)c(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc(Cl)c1	PC-id_37289407	442.316	UXYZXPODTMNLNU-ZETCQYMHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140053
Brc1ccc(cc1)c1cnc(CCC(=O)Nc2sc3CCCc3c2C#N)o1	EMOLS-id_322834621,MCULE-6495892699	442.329	IADHDLJKKGRFGK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140054
Brc1ccccc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324850424	442.329	BKDRDJLTYIZVAU-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140055
Brc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324851445	442.329	ZQTOEIFZVWCLFF-LGMDPLHJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140056
Brc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)cc1	PC-id_16947090	442.329	OTTNPNHGVQMTQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140057
Brc1ccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3CCCc23)cc1	EMOLS-id_1389287,MCULE-8743606274,ZINC22_871186,CoCoCo_666342,PC-id_1130794	442.329	LWTZZAJQEPYGMK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-140058
Brc1cc(C(=O)Nc2cc(C(=O)Nc3sc4CCCc4n3)ccc2)ccc1	PC-id_52646627	442.329	RRANULJJBFPODO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140059
Brc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)ccc1	PC-id_16947089	442.329	ZPXNITBROPZLIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140060
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324870663	442.329	XVENGSFRBVZVPJ-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140061
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324873737	442.329	HFPKIJDIYSSKIF-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140062
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)c1	EMOLS-id_324878860	442.329	HGBFRFNFDFROKG-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140063
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)c1	EMOLS-id_324881934	442.329	SGUNEDRDFZEEPA-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140064
Cc1cccc(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)c1C	EMOLS-id_324876809	442.329	NQVQFOZJJZUZAA-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140065
Cc1cccc(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)c1C	EMOLS-id_324875788	442.329	CZMPRZRUTYJTMZ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140066
CCc1cccc(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)c1	EMOLS-id_324890119	442.329	SOTWVNMDYBRMSN-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140067
CCc1cccc(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)c1	EMOLS-id_324889098	442.329	LCDCTRPDFMGOQL-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140068
CCc1ccc(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	EMOLS-id_324885006	442.329	QVISESNLSUUQLL-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140069
CCc1ccc(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_324888065	442.329	HQDRYKYTBVZLKT-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140070
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)CCCOc1ccccc1	MCULE-8241374779	442.329	ZQTOEIFZVWCLFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140071
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1ccc(cc1)CC	MCULE-7576061847	442.329	QVISESNLSUUQLL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140072
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1cc(C)ccc1C	MCULE-1359892414	442.329	HGBFRFNFDFROKG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140073
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1cccc(CC)c1	MCULE-2710992707	442.329	SOTWVNMDYBRMSN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140074
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCCOc1ccccc1	MCULE-7916534582	442.329	BKDRDJLTYIZVAU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140075
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1ccc(cc1)CC	MCULE-7905932300	442.329	HQDRYKYTBVZLKT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140076
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1cc(C)ccc1C	MCULE-1407880357	442.329	SGUNEDRDFZEEPA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140077
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1cccc(C)c1C	MCULE-4956095317	442.329	CZMPRZRUTYJTMZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140078
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)COc1c(C)cccc1C	MCULE-5050158806	442.329	XVENGSFRBVZVPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140079
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)COc1cccc(C)c1C	MCULE-5856867481	442.329	NQVQFOZJJZUZAA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140080
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1c(C)cccc1C	MCULE-8037885708	442.329	HFPKIJDIYSSKIF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140081
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1cccc(CC)c1	MCULE-3951892025	442.329	LCDCTRPDFMGOQL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140082
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-2029540477,PC-id_18848755	442.356	YPMALTNRMMLFOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140083
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-9339510972,PC-id_18848682	442.356	TUYNWYKBFBQJMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140084
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_1637563,CoCoCo_5815950,ZINC22_1903734,TIMTEC326427,MCULE-4274201444,SPECS-id_AK-968/40214254,EMOLS-id_4128920	442.356	NBRXXFJRBHQHDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140085
Brc1n2c(cc1Br)[C@@](O)(C(Cl)(Cl)Cl)[C@H](CO)[C@H]2C	CT-id_1503207,PC-id_102046434,1503207_OpenMolecule	442.359	LJOLWKUPTXYHRG-UDJQAZALSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140086
CC(C)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4Cl)nn3c2=O)cc1	ZINC22_26779608,EMOLS-id_45969788	442.361	ABYRHQKCUKPNRQ-OVYHWSPPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140087
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)C=Cc1ccc(cc1Cl)Cl	MCULE-3304271132	442.361	ABYRHQKCUKPNRQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140088
CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	BindingDB-id_435278,PC-id_118483347,BindingDB_PC-id_118483347,SCHEMBL17222880	442.382	PWIGKBBQUQWEQM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140089
CC1[C@H](Oc2n1cc(n2)[N+](=O)[O-])C(N1CCCC1)COc1ccc(cc1)OC(F)(F)F	PC-id_69480593,SCHEMBL5539683	442.389	SPYPKGXLCILYPT-QOJXUVEWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140090
Fc1c(OC)c(OC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc(F)c1F	PC-id_46180914	442.389	GPYFGIWWVPVEOH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140091
Fc1c(OC)c(OC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc(F)c1F	PC-id_46180915	442.389	GPYFGIWWVPVEOH-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-140092
Fc1c(OC)c(OC2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc(F)c1F	PC-id_46180916	442.389	GPYFGIWWVPVEOH-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140093
FC(F)(F)Oc1ccc(OC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_10094880,SCHEMBL5541906	442.389	LXWLEHKPRBDYGL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140094
FC(F)(F)Oc1ccc(OC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_9980781,SCHEMBL5542315	442.389	LXWLEHKPRBDYGL-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140095
FC(F)(F)Oc1ccc(OC2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5545894,PC-id_10003458	442.389	LXWLEHKPRBDYGL-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140096
FC(F)(F)Oc1ccc(OCC2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCC2)cc1	PC-id_77659616	442.389	OVNYBLNVHDIBSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140097
FC(F)(F)Oc1ccc(OC[C@H]2N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCC2)cc1	SCHEMBL5539685,PC-id_69480594	442.389	OVNYBLNVHDIBSB-UGSOOPFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140098
FC(F)(F)Oc1ccc(OCC(N2CCCC2)C2Oc3n(C2C)cc(n3)[N+](=O)[O-])cc1	PC-id_77659615	442.389	SPYPKGXLCILYPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140099
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)N1CCC(CC1)OC(F)(F)F	PC-id_102183348	442.389	RCYRETMLGLWDJH-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140100
Brc1sc(CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cc1	PC-id_55431901	442.394	SLYKSMDRWBAXIJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140101
Clc1cc(Cl)c(cc1S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C	PC-id_92110042	442.402	YTQPDFIGDKOKNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140102
c1(c2CCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1cccc(c1)C(F)(F)F	PC-id_17377336,MCULE-3097663592,CoCoCo_6832233,ZINC22_19635581,TIMTEC213880,EMOLS-id_4128958	442.409	IGOBYABAXXXYOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140103
CCCN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F	SCHEMBL17229632,PC-id_118489173	442.426	DVQUKJMQENNOKA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140104
CCC(C(=O)NCCCn1nc(C)c(c1C)[N+](=O)[O-])n1nc(c2CCCc12)C(F)(F)F	PC-id_19590876,MCULE-1535348141,EMOLS-id_8867239,TIMTEC163082	442.435	GBPWNVQEEKNMCU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140105
CC[C@@H](C(=O)NCCCn1nc(C)c([N+](=O)[O-])c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607600,PC-id_29092507	442.435	GBPWNVQEEKNMCU-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140106
CC[C@H](C(=O)NCCCn1nc(C)c([N+](=O)[O-])c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607601,PC-id_29092508	442.435	GBPWNVQEEKNMCU-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140107
c1(NC(=O)c2ccc(c3ccc(cc3N(=O)=O)OC)o2)sc2c(CCC2)c1C(=O)OC	MCULE-4881322135,PC-id_43840711	442.442	VASOSJJEGOYCDG-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-140108
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccccc1	MCULE-6344289580	442.447	NSPLEYDQBWPGJP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-140109
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)N(=O)=O)o1)c2=O)C=Cc1ccccc1	MCULE-7549721510	442.447	JZKPGCQPJWSRTH-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-140110
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccccc1	MCULE-8876704669	442.447	WYHQARTYORGXRP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-140111
O=c1/c(=C/c2ccc(c3cccc([N+](=O)[O-])c3)o2)/sc2nc(/C=C/c3ccccc3)nn12	EMOLS-id_31274792,ZINC22_27022427	442.447	NSPLEYDQBWPGJP-BOIKWEOWSA-N	00000000101000110001100010000000000000000000000000000000	25-01-140112
O=c1/c(=C/c2ccc(c3ccc([N+](=O)[O-])cc3)o2)/sc2nc(/C=C/c3ccccc3)nn12	EMOLS-id_31274818,ZINC22_27022462	442.447	JZKPGCQPJWSRTH-NCQAQJBZSA-N	00000000101000110001100010000000000000000000000000000000	25-01-140113
CS(=O)(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL16118432,PC-id_86268343	442.455	CQBBNXGHJBLHDO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140114
c12nc(sc1CN(Cc1ccc(cc1)F)C2=O)NC(=O)Nc1ccc(cc1OC)OC	EMOLS-id_33030430,MCULE-5716890809,PC-id_53188483	442.463	DYOXJUBOQRMPGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140115
c12nc(sc1CN(Cc1ccc(cc1)F)C2=O)NC(=O)Nc1c(OC)ccc(OC)c1	EMOLS-id_33030420,MCULE-4456504045,PC-id_53188478	442.463	HPDHSUCUTWYYSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140116
COc1cc(ccc1OC)NC(=O)Nc1sc2c(n1)C(=O)N(C2)Cc1ccc(cc1)F	PC-id_53188477,MCULE-9478638694,EMOLS-id_33030418	442.463	YTSXVHCMNJKDGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140117
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(S(=O)(=O)N)cc1)C(=O)OCC	PC-id_55644111	442.463	BDCFBIOAKHROMW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-140118
CC1(c2nn(c(c2CN1C(=O)O)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O)C	PC-id_91595255	442.468	YDDIXIOSIXPMBD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140119
O=C(C1=CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)SCC2)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL6208969,PC-id_69704708	442.468	SLMBZLRJXSWUPZ-UBWHZCOUSA-N	00001011100000110001001010000000000000000000000000000000	25-01-140120
O=C(N[C@H]1[C@H](NC1=O)Cn1nc2c(n1)CN(C2)C(=O)OC(C)(C)C)OCc1ccccc1	SCHEMBL17093636,PC-id_118379429	442.468	LXDDWPXPVNTTHP-SJORKVTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-140121
S1C2N(C(=O)C2=Cc2nc3SCCn3c2)C(=C1)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_77667587	442.468	SLMBZLRJXSWUPZ-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-140122
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C(=O)Nc1cccc(c1)C#C	PC-id_134599036,SCHEMBL20252937	442.47	ZDLKALWFPHULLL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-140123
O=C(CNC(=O)c1cc(c2ccccc2)on1)Nc1ccc(Cc2nnc3n2CCC3)cc1	ZINC22_170611399,PC-id_86819585,EMOLS-id_49980128,MCULE-1732748897	442.47	VKIDCGRUGIVLQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140124
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[N@@H+](Cc1ccccc1OC(F)(F)F)C	PC-id_51648917,GD-id_ZINC25534142	442.475	JIQKHRGTJDWJKX-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140125
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(OC(F)(F)F)cccc1)C)C)C(=O)N	PC-id_51648919	442.475	JIQKHRGTJDWJKX-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-140126
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(OC(F)(F)F)cccc1)C)C)C(=O)N	PC-id_75747153	442.475	JIQKHRGTJDWJKX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140127
CC(CNS(=O)[O-])c1nn2c(n1)C(=NNc1nc(c(n1C)C#N)C#N)C(=N2)C(C)(C)C	PC-id_89330941	442.478	XMILHOVNBUSLPI-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-140128
c1(NC(=O)c2ccc(c(F)c2)F)c2CSCc2nn1CC(=O)NCCc1ccccc1	EMOLS-id_24913635,CoCoCo_5277821,PC-id_30862875,MCULE-8974489993,ZINC22_23139658	442.482	CBTZCHCFKFYDHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140129
c1(NC(=O)Cc2ccc(cc2)F)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	CoCoCo_5277802,MCULE-4900899507,ZINC22_23139608,PC-id_30862826,EMOLS-id_24913601	442.482	IRWHURKJMVCJTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140130
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2F)CC(=O)NCCc2ccccc2)C1	PC-id_44053835	442.482	ZJLUKOMOMNWOPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140131
S1Cc2c(nn(c2NC(=O)c2c(F)cc(F)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053789	442.482	FLTYBYPJQKBYQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140132
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)C(=O)NC)C)F	SCHEMBL20252984,PC-id_134599083	442.483	JHOATTMCWDRPQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140133
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)OC	PC-id_24371950	442.485	JOGDGPAZMVOJQQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140134
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1ccccc1)/NC(=O)C)C(=O)OC	PC-id_45633299	442.485	RCFCPPDAQHNECA-WJDWOHSUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140135
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccccc1)NC(=O)C)C(=O)OC	PC-id_75123005	442.485	RCFCPPDAQHNECA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140136
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C#N	PC-id_1667841	442.485	QPAIBDWOLHAJNJ-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140137
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C#N	PC-id_4092547	442.485	QPAIBDWOLHAJNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140138
OCc1ccn2c1[C@@H](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC2	PC-id_101644063	442.487	VGNGDXGMOUMTSQ-AVGNSLFASA-N	00000010100000000000000010000000000000000000000000000000	25-01-140139
OCc1ccn2c1C(SC[C@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC2	PC-id_101677564	442.487	VGNGDXGMOUMTSQ-LAGVYOHYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140140
S(C1CCn2c1c(cc2)CO)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	PC-id_21120480	442.487	VGNGDXGMOUMTSQ-VYAYZGMFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140141
S(C1CCn2c1c(cc2)CO)CC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O	PC-id_73743998	442.487	VGNGDXGMOUMTSQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140142
S([C@@H]1CCn2c1c(cc2)CO)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	PC-id_125139	442.487	VGNGDXGMOUMTSQ-RWMBFGLXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140143
c1(NC(=O)c2cccc(OC)c2OC)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862568,EMOLS-id_24913407,MCULE-7813305852,CoCoCo_5277689,ZINC22_23139287	442.488	BBEAJDSINBOAAI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140144
c1(NC(=O)COc2ccc(cc2)OC)c2CSCc2nn1CC(=O)NCc1ccco1	CoCoCo_5277696,PC-id_30862582,ZINC22_23139306,EMOLS-id_24913419,MCULE-8795360743	442.488	IKGCYUBQHQOQID-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140145
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	CoCoCo_3156551,ZINC22_9051598,PC-id_40918366	442.488	BMWZMXGNWDNLAQ-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140146
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	PC-id_40918363,CoCoCo_3156550,ZINC22_9051592	442.488	BMWZMXGNWDNLAQ-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140147
COc1cccc(c1)[C@]1(C)NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3156658,PC-id_25982402	442.488	OJLUPOMMLKHPEY-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140148
COc1cccc(c1)[C@@]1(C)NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3156659,PC-id_25982401	442.488	OJLUPOMMLKHPEY-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140149
COc1ccc(cc1)C1(C)NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-6923242076,EMOLS-id_12008209,PC-id_17558608	442.488	BMWZMXGNWDNLAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140150
COc1ccc(c(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)OC	PC-id_68439630,SCHEMBL2915484	442.488	CRSWLURINMLOIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140151
COc1cccc(c1C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)OC	SCHEMBL2918489,PC-id_68440622	442.488	GZRFPXWXTLXYHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140152
COc1ccc(c(c1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)OC	PC-id_141251728	442.488	FVCWAIYPGMHGNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140153
COc1cccc(c1C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)OC	PC-id_141251740	442.488	QDLKGNJOBPKIFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140154
COc1ccc(c(c1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)OC	PC-id_68455178,SCHEMBL2952948	442.488	HTYGMULOOBFBLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140155
COc1cccc(c1C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)OC	SCHEMBL2923645,PC-id_68442489	442.488	KUAFZURAXIXHLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140156
COc1cccc(c1C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)OC	PC-id_68440623,SCHEMBL2918491	442.488	APNKTGRITUERDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140157
COc1ccc(c(c1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)OC	SCHEMBL2915486,PC-id_68439631	442.488	JTILILYPQUDTDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140158
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68441355,SCHEMBL2920636	442.488	GQWJNPOVWFOJJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140159
COc1cc(ccc1OC)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2917016,PC-id_68440147	442.488	CLHBVCHJXQHPED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140160
COc1cc(ccc1OC)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251701	442.488	XBDZVCZHXXOZAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140161
COc1cc(ccc1OC)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	PC-id_68441357,SCHEMBL2920639	442.488	OQMHTLLACDPAQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140162
COc1cc(OC)cc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	PC-id_68440481,SCHEMBL2917983	442.488	QTAVLJXQQQADKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140163
COc1cc(OC)cc(c1)C(=O)Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C	PC-id_141251702	442.488	GHEYJMFFAYWSAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140164
COc1cc(OC)cc(c1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C	SCHEMBL2925768,PC-id_68443377	442.488	HAPZJFIXSYGFNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140165
COc1cc(OC)cc(c1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	PC-id_68440483,SCHEMBL2917986	442.488	GSJAVESYLZFMHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140166
O1C(CN2CCN(CC2)c2cc(C(C)(C)C)c(cc2)C(=O)[O-])(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635388,SCHEMBL6010843	442.488	XZXSYFNVHQANSN-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-140167
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1cc(OC)ccc1)C)C(=O)N	PC-id_17567055	442.488	OJLUPOMMLKHPEY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140168
S1Cc2c(nn(c2NC(=O)c2cc(OC)cc(OC)c2)CC(=O)NCc2occc2)C1	PC-id_44053273	442.488	IGSTYDONAHYCFZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140169
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053272	442.488	OGEGOZKEYQHJQL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140170
S1Cc2c(nn(c2NC(=O)c2c(OC)cc(OC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053271	442.488	FPZFKOBYIDPXKI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140171
S1Cc2c(nn(c2NC(=O)COc2cc(OC)ccc2)CC(=O)NCc2occc2)C1	PC-id_44053229	442.488	DSVXPYKDGCHDFR-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140172
S1Cc2c(nn(c2NC(=O)COc2c(OC)cccc2)CC(=O)NCc2occc2)C1	PC-id_44053228	442.488	WBVKCFAXIYKOPZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140173
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(c2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_323204278,MCULE-3266891564	442.49	OVEXNHSFNVRLBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140174
c1(NC(=O)COc2cccnc2NC(=O)NCCNC(=O)C)sc2c(CCC2)c1C#N	MCULE-2624020236,EMOLS-id_321873784	442.491	QTQWXLOXZMJZRM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140175
c1(NC(=O)C(CC)Oc2ccccc2F)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_17012861,EMOLS-id_10105768,MCULE-2103068896,TIMTEC378024	442.503	PHHVWINOQJNKNU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-140176
CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	PC-id_35042917,ZINC22_27663416,CoCoCo_6330165	442.503	PHHVWINOQJNKNU-QGZVFWFLSA-N	00000010101000110000000010000000000000000000000000000000	25-01-140177
CC[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	PC-id_35042920,CoCoCo_6330166,ZINC22_27663419	442.503	PHHVWINOQJNKNU-KRWDZBQOSA-N	00000010101000110000000010000000000000000000000000000000	25-01-140178
O=C1C(C(c2c1n(cc2)Cc1ccccc1)C(C)C)C(=O)N1C(COC1=O)c1ccccc1	PC-id_75301340	442.506	HVYHMIGOMDZOAH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140179
O=C1[C@H]([C@@H](c2c1n(cc2)Cc1ccccc1)C(C)C)C(=O)N1[C@@H](COC1=O)c1ccccc1	PC-id_49840604	442.506	HVYHMIGOMDZOAH-ZRBLBEILSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140180
O=C1[C@@H]([C@@H](c2c1n(cc2)Cc1ccccc1)C(C)C)C(=O)N1[C@@H](COC1=O)c1ccccc1	PC-id_49840605	442.506	HVYHMIGOMDZOAH-YTFSRNRJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140181
O=C1[C@@H]([C@H](c2c1n(cc2)Cc1ccccc1)C(C)C)C(=O)N1[C@@H](COC1=O)c1ccccc1	PC-id_49840606	442.506	HVYHMIGOMDZOAH-RJGXRXQPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140182
Cc1cncc(n1)Oc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	PC-id_89238302,SCHEMBL14057029	442.511	WLWIPXXLFWUHHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140183
Cc1cncc(n1)Oc1cc(ccc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	SCHEMBL14057268,PC-id_89238509	442.511	AAPJXDRHEIEXKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140184
COc1ccccc1C1=NS(=O)(=O)N(C)C(=C1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_32802662,PC-id_50756300,MCULE-4872766504	442.511	XWHLEZFXJQRULV-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-140185
COc1ccc(cc1)C1=NS(=O)(=O)N(C)C(=C1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_22515184,EMOLS-id_16141109,CoCoCo_2302144,MCULE-1507363247	442.511	NRYGKPOPTLCPBE-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-140186
COc1cccc(c1)C1=NS(=O)(=O)N(C)C(=C1)C(=O)Nc1sc2CCCc2c1C#N	ZINC22_20219988,MCULE-8426756684,PC-id_17253629,TIMTEC453526,EMOLS-id_21980369	442.511	SNOZIRVMYUVEFQ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-140187
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1nc(sc1)c1ncccc1)C(=O)N	PC-id_46815909	442.511	WUIGKYRYMDPEOR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140188
COc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)sc3c2CCC3)c1	PC-id_28249485,CoCoCo_6832174,ZINC22_19636236	442.528	ACOFFNWXKATAPN-HZPDHXFCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140206
c1(NC(=S)NNC(=S)Nc2ccc(cc2F)F)sc2c(CCC2)c1C(=O)OC	ZINC22_2855696,EMOLS-id_2471400,TIMTEC405683,CoCoCo_996928,PC-id_2208995,MCULE-3914324740	442.526	QMFKHVJWYXTXDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140189
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)Nc1ccccc1OC	MCULE-8913336734,TIMTEC99238,EMOLS-id_4129291,PC-id_17377355	442.528	CIHSSMSITUMPGT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140190
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)Nc1cccc(OC)c1	SCHEMBL20339081,PC-id_17377329,MCULE-6375948310,EMOLS-id_4129289,TIMTEC29206	442.528	ACOFFNWXKATAPN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140191
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)CO)C(=O)O	PC-id_135188475,SCHEMBL20340705	442.528	DBAKUPSRUBOBLM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140192
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9346617113,EMOLS-id_4129299,TIMTEC123544,PC-id_17377545	442.528	DJLWLETXZADIIA-UHFFFAOYSA-N	00000010101011000000000010000000000000000000000000000000	25-01-140193
c1(NC(=O)C=Cc2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8633677925	442.528	IUDXIPBONASTMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140194
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)[C@H](C(=O)O)C1	CoCoCo_6830676,ZINC22_19636296,PC-id_28249521	442.528	DJLWLETXZADIIA-IAGOWNOFSA-N	00000010101011000000000010000000000000000000000000000000	25-01-140195
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)[C@@H](C(=O)O)C1	ZINC22_19636288,PC-id_28249515,CoCoCo_6830679	442.528	DJLWLETXZADIIA-SJORKVTESA-N	00000010101011000000000010000000000000000000000000000000	25-01-140196
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)[C@@H](C(=O)O)C1	ZINC22_19636292,PC-id_28249518,CoCoCo_6830677	442.528	DJLWLETXZADIIA-IRXDYDNUSA-N	00000010101011000000000010000000000000000000000000000000	25-01-140197
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)C1	PC-id_28249524,ZINC22_19636299,CoCoCo_6830678	442.528	DJLWLETXZADIIA-DLBZAZTESA-N	00000010101011000000000010000000000000000000000000000000	25-01-140198
COc1ccc(cc1)NC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC2	PC-id_135200270,SCHEMBL20353843	442.528	UKJVPRFTTGEYHY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140199
COc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6832300,PC-id_28249497,ZINC22_19636259	442.528	CIHSSMSITUMPGT-ZIAGYGMSSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140200
COc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_28249494,ZINC22_19636255,CoCoCo_6832299	442.528	CIHSSMSITUMPGT-KBPBESRZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140201
COc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_28249500,CoCoCo_6832298,ZINC22_19636263	442.528	CIHSSMSITUMPGT-UONOGXRCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140202
COc1ccccc1NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	ZINC22_19636251,CoCoCo_6832297,PC-id_28249491	442.528	CIHSSMSITUMPGT-KGLIPLIRSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140203
COc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc3c2CCC3)c1	CoCoCo_6832171,ZINC22_19636228,PC-id_28249478	442.528	ACOFFNWXKATAPN-CVEARBPZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140204
COc1cccc(NC(=O)c2c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc3c2CCC3)c1	PC-id_28249481,CoCoCo_6832173,ZINC22_19636232	442.528	ACOFFNWXKATAPN-HOTGVXAUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140205
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-4847908631	445.484	IQNKQHSCRCSLJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141108
COc1cccc(NC(=O)c2c(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)sc3c2CCC3)c1	PC-id_28249489,ZINC22_19636240,CoCoCo_6832172	442.528	ACOFFNWXKATAPN-JKSUJKDBSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140207
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(=O)OC)sc2CCCc12	EMOLS-id_334385951	442.528	IUDXIPBONASTMB-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140208
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)/C=C/C(=O)OCC)C(=O)OCC	PC-id_24583386	442.528	OHLUPCGVUCUTKA-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140209
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C=CC(=O)OCC)C(=O)OCC	PC-id_74299391	442.528	OHLUPCGVUCUTKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140210
c1(NC(=O)c2ccccc2c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336684,MCULE-7052819737	442.529	GPESDHVQXHHDEX-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-140211
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338724,MCULE-8461457603	442.529	QBKAEXDSKYASLI-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-140212
c1(NC(=O)COc2cccnc2NC(=O)OCCCCCC)sc2c(CCC2)c1C#N	EMOLS-id_321797158,MCULE-3895429739	442.531	ICORJFJNPUJZLB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140213
c1(NC(=O)COc2cccnc2NC(=O)OCCC(C)(C)C)sc2c(CCC2)c1C#N	MCULE-8155481595,EMOLS-id_321794855	442.531	XYYXWCRZVDIYPR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140214
c1(NC(=O)COc2cn(c(cc2=O)C)CCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_331629763,MCULE-1642652322	442.531	LKMSMLWOKHUMJO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-140215
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCO)sc2CCCc2c1C#N	EMOLS-id_331929373,MCULE-4106396788	442.531	JYQHIEMJWVICBJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140216
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCC)sc2CCCc2c1C#N	EMOLS-id_331919891,MCULE-1142829998	442.531	BKUFGDOVDKQUSI-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-140217
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CC)sc2CCCc2c1C#N	MCULE-4479026496,EMOLS-id_331926549	442.531	UPLBRDNYRXKVBH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-140218
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CC=C)sc2CCCc2c1C#N	EMOLS-id_331926292,MCULE-7777817398	442.531	UZHMRYPIZLETNC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140219
C[C@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C(=O)Nc1ncccn1	CoCoCo_4506830,PC-id_25930022,ZINC22_14045419	442.531	LCLDUJWTNRAWGQ-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140220
C[C@@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C(=O)Nc1ncccn1	ZINC22_14045418,CoCoCo_4506829,PC-id_25930021	442.531	LCLDUJWTNRAWGQ-CYBMUJFWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140221
CC(=O)Nc1ccc(c(c1)C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109654	442.531	RIYDCOGTHXRVQG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140222
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccco1)Cc1nn(C)c2CCCc12	PC-id_86266522,EMOLS-id_50145218,MCULE-3196911108	442.531	OLTRIRBHHUJEJZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140223
NC(=O)c1c(NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)sc2c1CCC2	CoCoCo_4236443,ZINC22_15042829,MCULE-6227476194,EMOLS-id_17195640,CoCoCo_4236444,PC-id_26385353	442.531	SJMHOGRZBJLRFS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140224
O=C(C(OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C)Nc1ncccn1	EMOLS-id_24980369,MCULE-8037245623,PC-id_42931251	442.531	LCLDUJWTNRAWGQ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140225
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)C(=O)OCC	PC-id_16947506	442.531	DIHMFOMBLYUODP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140226
C=Cc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)N(C[C@@H]1C)C)F	PC-id_59333914,SCHEMBL3326220	442.533	BCYYQRRWHURCOG-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140227
Fc1c(Nc2n[nH]c3C(N(C(=O)N4CC(N(CC4C)C)(C)C)Cc23)(C)C)nc(nc1)C=C	PC-id_72257716	442.533	BCYYQRRWHURCOG-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140228
s1c2CCCc2cc1C(=O)NNC(=O)c1c(nn(Cc2ccccc2)c1)c1ccccc1	PC-id_29858158	442.533	ONUNZGCZIUFOQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140229
c1(NC(=O)CSc2scc(c3ccc(cc3)N(=O)=O)n2)sc2c(CCC2)c1C#N	EMOLS-id_324871462,MCULE-4490127438	442.534	UWQQLGWYGNULDB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140230
c1(NC(=O)CSc2scc(c3cccc(c3)N(=O)=O)n2)sc2c(CCC2)c1C#N	EMOLS-id_324876842,MCULE-6390425065	442.534	KMSMJORULNGADR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140231
c1(NC(=O)COc2cccnc2NC(=O)NCCCN(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321874809,MCULE-1295128253	442.535	YVYFMXDVAYGSOW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140232
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)C(=O)OC1CCCCC1	MCULE-6877574134,EMOLS-id_328220788	442.549	SYCKBSZECVBTFC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140233
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1cc(F)c(OC)cc1)C#N	PC-id_36044895	442.549	NSWYOOZZZXSOGD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140234
c1(NC(=O)COC(=O)C(CCSC)NC(=O)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1424396,PC-id_2857044,MCULE-7653049585,BAS-03241741,TIMTEC205693	442.55	HXOJLNZUWMLWHP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140235
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)C)sc2c1CCC2	PC-id_7567340,ZINC22_5225278,CoCoCo_283732	442.55	HXOJLNZUWMLWHP-CYBMUJFWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140236
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](CCSC)NC(=O)C)sc2c1CCC2	PC-id_7567342,ZINC22_5225280,CoCoCo_283731	442.55	HXOJLNZUWMLWHP-ZDUSSCGKSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140237
CCCOC(=O)c1ccccc1N1CCN(CC1)CCCCn1c(c2CCCn2c1=O)O	PC-id_91931492,BindingDB_PC-id_91931492	442.551	VQFKDCAQBFBEIS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140238
CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1	MCULE-6737563901,PC-id_25356483,EMOLS-id_15258715,ZINC22_12557191,CoCoCo_3926533	442.551	JBDBCAJRBMDRIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140239
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc3c(s2)CCC3)ccc1C	CoCoCo_3348795,MCULE-2817826848,EMOLS-id_11717835,PC-id_16296971,ZINC22_9712427	442.551	LMMAQWODAFRVAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140240
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4c(s3)CCC4)ccc2C)cc1	ZINC22_9595636,EMOLS-id_11814532,PC-id_16366125,CoCoCo_3346785,MCULE-7541906864	442.551	OSTUCHKQWLCQRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140241
COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3n[nH]c4c3CCC4)cc2)CC1	CoCoCo_1425985,ZINC22_12299656,CoCoCo_1425987,PC-id_42510752,CoCoCo_1425983,CoCoCo_1425989	442.551	JNCVODODFIYHNG-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140242
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OCc2cc(ccc2)C)cccc1)C#N	PC-id_16514859	446.518	MUKVEQQKLNOQIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141505
COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3n[nH]c4c3CCC4)cc2)CC1	CoCoCo_1425986,PC-id_42510754,ZINC22_12299657,CoCoCo_1425990,CoCoCo_1425984,CoCoCo_1425988	442.551	JNCVODODFIYHNG-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-140243
COC(=O)C1CCN(CC(O)COc2ccc(CNCc3n[nH]c4CCCc34)cc2)CC1	EMOLS-id_20605241,PC-id_45217838,MCULE-6671955565	442.551	JNCVODODFIYHNG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140244
O=C(N1Cc2c(C1)c(n[nH]2)C(=O)N(CCOc1ccccc1C(C)(C)C)C)OC(C)(C)C	SCHEMBL17501752,PC-id_118869759	442.551	YJXUVIUBQRBGHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140245
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_27003098	442.551	VKOYANUEVCLJCC-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140246
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCC1)C(=O)Nc1c(cccc1)C(=O)OC	PC-id_27002941	442.551	XFTMVGSHQVQLMR-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-140247
c1(NC(=O)c2ccccc2SCC)c2CSCc2nn1CC(=O)NCc1ccco1	EMOLS-id_24913485,PC-id_30862668,MCULE-6058334078,ZINC22_23139414,CoCoCo_5277734	442.554	PVJRURYNPGAUCG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140248
c1(NC(=O)Cc2cccs2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	ZINC22_23139548,EMOLS-id_24913563,PC-id_30862776,MCULE-5484323484,CoCoCo_5277779	442.554	WNVLDGXZPDRAKP-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-140249
c1(NC(=O)CSc2nnc(c3ccc(cc3)C)n2C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_30081374,SPECS-id_AO-476/43417565,ZINC22_10263882,PC-id_16518621,MCULE-8387343124,CoCoCo_6964943	442.554	MTYMYGPITJXMEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140250
c1(NC(=O)CSCc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccco1	PC-id_30862646,CoCoCo_5277727,ZINC22_23139389,MCULE-5323880338,EMOLS-id_24913473	442.554	SFVQYAMSACWUOW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140251
c1(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(C)n(n(c2ccccc2)c1=O)C	MCULE-1801003238,EMOLS-id_2318027,CoCoCo_996945,ZINC22_16346690,TIMTEC515632,PC-id_2956356,Chemmine_18794	442.554	VYXSLCJZUMIMGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140252
CCOC(=O)c1c(NC(=O)CSc2nc(c3ccc(C)cc3)n[nH]2)sc2c1CCC2	CoCoCo_3058167,CoCoCo_3058168,CoCoCo_3058169,CoCoCo_3058170,PC-id_2127283,EMOLS-id_3240511,MCULE-8675918970,ZINC22_2663176	442.554	AVIRIWOQLLBQEN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140253
COc1ccc(cc1)n1ccnc1SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_16345626,MCULE-8216389500,SCHEMBL21045581,EMOLS-id_11789538	442.554	OUKJRMLZUNGCOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140254
COc1ccc(n2ccnc2S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_41156671,ZINC22_9646017,CoCoCo_4181866	442.554	OUKJRMLZUNGCOL-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140255
COc1ccc(n2ccnc2S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_9646020,CoCoCo_4181867,PC-id_41156673	442.554	OUKJRMLZUNGCOL-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140256
O=C(NC(c1ccccc1)C)Nc1ccc(cc1)S(=O)(=O)Cc1sc2c(n1)CNC2	SCHEMBL19377109	442.554	AZNGXJYBTCMJPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140257
O=C(N[C@H](c1ccccc1)C)Nc1ccc(cc1)S(=O)(=O)Cc1sc2c(n1)CNC2	SCHEMBL19377108	442.554	AZNGXJYBTCMJPT-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140258
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c2ccccc2)c(nn1)C)C(=O)OC	PC-id_17047146	442.554	HVXHVODNXFZZOK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140259
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2cc(ccc2)C)c(nn1)C)C(=O)OC	PC-id_16514177	442.554	IOWXPOULQLULFL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140260
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2ccc(cc2)C)c(nn1)C)C(=O)OC	PC-id_19644212	442.554	AEAVDTWVDLPHAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140261
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(cccc2)C)c(nn1)C)C(=O)OC	PC-id_41425408	442.554	KDMXAYXIQQFMEN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140262
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(cccc2)C)cnn1)C(=O)OCC	PC-id_41424540	442.554	YHWWRSPDTLXKFA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140263
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2ccccc2)c(nn1)C)C(=O)OCC	PC-id_19644165	442.554	HZDVJNWATSAGIP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140264
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(c2ccc(OC)cc2)cn1)C)C(=O)N	PC-id_23800679	442.554	AMQGTPDPSHRXMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140265
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccccc1)C(=O)OC	PC-id_16506664	442.554	BYOGWLORMOULSW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140266
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)C)C(=O)OC	PC-id_17255148	442.554	MRDACBUZQUXMIP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140267
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)C)C(=O)OC	PC-id_17301536	442.554	RMAFQIPQNFDHLY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140268
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)C)C(=O)OCC	PC-id_19727917	442.554	PNWLJTIVMKKPAR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140269
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)C)C(=O)OC	PC-id_20123542	442.554	SAFQCGKXLOBYPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140270
s1c2c(CCC2)c(c1NC(=S)Nc1cn(nc1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_20172790	442.554	MRILRMWMIRGRFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140271
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1ccncc1)C(=O)N	PC-id_27473649	442.558	CHBKNBUHGLFTQG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140272
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)CNc1ccc(cc1)CCO)C(=O)O	SCHEMBL20353906,PC-id_135200325	442.571	WRVIOJVMQCMRCP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140273
c1(NC(=O)c2cccc(c2)OCC(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2874568374,EMOLS-id_334335406	442.571	NCXQBGSWGCSOKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140274
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3642626702,EMOLS-id_334333103	442.571	RIUXJCXXAJNLKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140275
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332074,MCULE-4421563753	442.571	YRJAOEKTPMRPEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140276
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333610,MCULE-8751132102	442.571	MDFRAVBYOFUMRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140277
c1(NC(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9295708612,EMOLS-id_334333357	442.571	MKFJOBJRAYVMBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140278
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6864847938,EMOLS-id_334334377	442.571	XGGREKBVCKMWFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140279
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4490001420,EMOLS-id_334334889	442.571	STRJPKODPMPQRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140280
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2184722,CoCoCo_866312,ChEMBL-DNDi_CHEMBL1607401,CoCoCo_866313,ZINC22_22939704,PC-id_1328384,MCULE-4559375504,CHEMBL1607401	442.574	BLVFGGCQXVROSF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140281
c1(NC(=O)c2ccc(cc2)C(C)(C)C)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053132,EMOLS-id_24913377,MCULE-3315312767	442.574	QMYJZILENHOLMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140282
c1(NC(=O)CC2CCCCC2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	PC-id_30862799,EMOLS-id_24913581,MCULE-6412188387,CoCoCo_5277790,ZINC22_23139576	442.574	VYDMJOKPECRSIW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140283
c1(NC(=O)COc2cn(c(cc2=O)C)CCCN(CC)CC)sc2CCCc2c1C#N	MCULE-9290248707,EMOLS-id_331629764	442.574	TWIAXUZCYAQGLN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140284
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCC)sc2CCCc2c1C#N	MCULE-1067829137,EMOLS-id_331919636	442.574	FYPJKRNNIHSWKI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140285
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCC(C)C)sc2CCCc2c1C#N	MCULE-2581279505,EMOLS-id_331926545	442.574	HVZRCYGTNSRNAQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140286
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCC)sc2CCCc2c1C#N	MCULE-3147753921,EMOLS-id_331930128	442.574	ZEQBEIOJNXDERO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140287
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CC)sc2CCCc2c1C#N	MCULE-5442912480,EMOLS-id_331923991	442.574	VNMGMUBNKCQTPT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140288
CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1	ZINC22_23139196,CoCoCo_5277660,PC-id_30862493	442.574	QMYJZILENHOLMJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140289
CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1	ZINC22_23139200,CoCoCo_5277661,PC-id_30862497	442.574	QMYJZILENHOLMJ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140290
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)CCOc1ccccc1	PC-id_16361428,MCULE-7170243431,EMOLS-id_11807051	442.574	JLANJRUQYKPLIV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140291
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CCOc2ccccc2)CC1	CoCoCo_4228424,PC-id_30625946,CoCoCo_4228425,ZINC22_22789325	442.574	JLANJRUQYKPLIV-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140292
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CCOc2ccccc2)CC1	PC-id_30625955,ZINC22_22789331,CoCoCo_4228426,CoCoCo_4228427	442.574	JLANJRUQYKPLIV-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140293
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(OCC)cc1)C(=O)N	PC-id_34931722	442.574	SZVVFIPHPXQHFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140294
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CCc1ccc(OC)cc1)C(=O)N	PC-id_56159384	442.574	UWNAUGFBLVKPOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140295
S1Cc2c(NC(=O)CCC3CCCC3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053520	442.574	OJHWZEAOEWCHCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140296
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCCOC)nn1)C(=O)OCC	PC-id_4819248	442.576	YVSQSEDRAQZTFU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140297
s1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(N3CCCC3)CC2)(C)C)ccc1	PC-id_10049010	442.578	LQFWOJKNMWEMTE-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-140298
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)NCc1ccccc1)C(=O)S	PC-id_135200389,SCHEMBL20353974	442.594	RCKIGRPGNPYBDC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140299
COc1ccc(cc1OC[C@H](CN1CCCCCCC1)O)CNCc1[nH]nc2c1CCC2	CoCoCo_1488170,CoCoCo_1488172,PC-id_42517569	442.594	MXYWPYOLKIRSDS-FQEVSTJZSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140300
COc1ccc(cc1OC[C@@H](CN1CCCCCCC1)O)CNCc1[nH]nc2c1CCC2	CoCoCo_1488171,CoCoCo_1488169,PC-id_42517573	442.594	MXYWPYOLKIRSDS-HXUWFJFHSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140301
COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@H](O)CN1CCCCCCC1	CoCoCo_1116519,PC-id_42094258,ZINC22_11661266,CoCoCo_1116521	442.594	QVJMEMMABQSTQX-HXUWFJFHSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140302
COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@@H](O)CN1CCCCCCC1	CoCoCo_1116520,PC-id_42094260,CoCoCo_1116518,ZINC22_11661267	442.594	QVJMEMMABQSTQX-FQEVSTJZSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140303
COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@@H](O)CN(C)C1CCCCC1	CoCoCo_1273055,CoCoCo_1273053,CoCoCo_1273049,PC-id_42596181,CoCoCo_1273051,ZINC22_12433364	442.594	WNQCOJSKRFXUSX-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140304
COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@H](O)CN(C)C1CCCCC1	PC-id_42596183,CoCoCo_1273052,CoCoCo_1273050,CoCoCo_1273048,CoCoCo_1273054,ZINC22_12433365	442.594	WNQCOJSKRFXUSX-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140305
COc1cc(CNCc2n[nH]c3CCCc23)ccc1OCC(O)CN1CCCCCCC1	EMOLS-id_20388586,MCULE-6079270662,PC-id_45167750	442.594	QVJMEMMABQSTQX-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140306
COc1cc(CNCc2n[nH]c3CCCc23)ccc1OCC(O)CN(C)C1CCCCC1	EMOLS-id_20501161,PC-id_45193799,MCULE-8704113569	442.594	WNQCOJSKRFXUSX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140307
OC(CN1CCCCCCC1)COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC	PC-id_45227604	442.594	MXYWPYOLKIRSDS-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140308
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CCC1)Cc1ccccc1)C(=O)OCC	PC-id_30737349	442.594	AKKQRXPGXNGXRM-UHFFFAOYSA-O	00000010100000110101000010000000000000000000000000000000	25-01-140309
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_74512060	442.594	IRBKKNKWSQXHHA-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-140310
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)Nc1c(OCC)cccc1	PC-id_74516940	442.594	MKVGNWWKDKNZET-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-140311
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)Nc1ccc(OCC)cc1	PC-id_27002884	442.594	UQLOODUWBYYEGV-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-140312
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_26874974	442.594	IRBKKNKWSQXHHA-MRXNPFEDSA-O	00000010100010110000000010000000000000000000000000000000	25-01-140313
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_26874976	442.594	IRBKKNKWSQXHHA-INIZCTEOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-140314
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)Nc1c(OCC)cccc1	PC-id_27003147	442.594	MKVGNWWKDKNZET-MRXNPFEDSA-O	00000010100010110000000010000000000000000000000000000000	25-01-140315
COc1ccc(Br)c(Cn2nc(I)c3C(C)CCc23)c1	MCULE-6483854320,EMOLS-id_330978811	447.109	DISHCIDPZBJLPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141711
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)Nc1c(OCC)cccc1	PC-id_27003149	442.594	MKVGNWWKDKNZET-INIZCTEOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-140316
S1(=O)(=O)CC([NH+]2CC[NH+](CC2)C(C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	PC-id_49829375	442.596	ONFQQEFHJHLUHD-UHFFFAOYSA-P	00000010100010000001100010000000000000000000000000000000	25-01-140317
CSCCNc1cc(Sc2ccccc2)cc(n1)Nc1nc2c(s1)C(CC2)(C)C	PC-id_144988160	442.664	SOYPGXJILVXITO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-140318
CSCCNc1nc(cc(c1)Sc1ccccc1)Nc1sc2c(n1)CC(C2)(C)C	PC-id_144988058	442.664	VXZPGBHEIBFVCI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-140319
CC1c2c(CO1)sc(c2C(=O)N1CC(C1)(F)F)N(C(=O)c1ccccc1OC)Cl	PC-id_87736906,SCHEMBL4846754	442.864	GHISOXBGDLSHGK-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-140320
Clc1cc(C(=O)Nc2sc3c(c2C(=O)N2CC(F)(F)C2)C(OC3)C)c(OC)cc1	PC-id_24772747,SCHEMBL2162120	442.864	JAQUHKKXGIXLON-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-140321
Clc1c(OC)c(C(=O)Nc2sc3c(c2C(=O)N2CC(F)(F)C2)C(OC3)C)ccc1	PC-id_69215564,SCHEMBL4846760	442.864	JCISYTUVFOEXEU-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-140322
CN=C(NC1CCN(C1)c1ncc(cc1Cl)C(F)(F)F)NCc1nnc2n1CCC2	PC-id_109721895	442.869	WUOCIGHGGTUWRS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140323
Cc1c(n2CCCc2c1C(=O)C(=O)NC(=C)CCC#N)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL20259570,PC-id_134605009	442.871	ACZIJZJUUXLFTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140324
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324873226	442.875	BMOMWTGXDWGPTI-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140325
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324881423	442.875	AADKJFMMXPQPEP-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140326
Cc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)c1C	EMOLS-id_324875277	442.875	SPVRSJIKJYEJTF-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140327
CCc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324888587	442.875	OILGUUCFGLKNGG-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140328
CCc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324887554	442.875	SVKWNUJVHDDULG-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140329
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	ZINC22_256055897,PC-id_117588511	442.875	YKBFVAYWIOMYGQ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140330
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCCOc1ccccc1	MCULE-6351672619	442.875	GJNAHJOULCZDHS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140331
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1ccc(cc1)CC	MCULE-9477634768	442.875	SVKWNUJVHDDULG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140332
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1cc(C)ccc1C	MCULE-2982047753	442.875	AADKJFMMXPQPEP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140333
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1c(C)cccc1C	MCULE-8903148269	442.875	BMOMWTGXDWGPTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140334
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1cccc(C)c1C	MCULE-8945661824	442.875	SPVRSJIKJYEJTF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140335
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1cccc(CC)c1	MCULE-6265583209	442.875	OILGUUCFGLKNGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140336
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccc(cc1)Cl)c2=O	MCULE-1827952605	442.875	YKBFVAYWIOMYGQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140337
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)OC)c2=O	MCULE-6819703501	442.875	ZXBGBHVAZOPNJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140338
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=c/2sc3ncnn3c2=O)cc1	PC-id_117588394,ZINC22_256055938	442.876	ZXBGBHVAZOPNJE-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140339
[O-][N+](=O)c1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)ccc1Cl	EMOLS-id_324849913	442.876	GJNAHJOULCZDHS-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-140340
c1(NC(=O)c2c(cccc2Cl)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4270326133,EMOLS-id_334332323	442.934	FVFKMSNJLDUJSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140341
Clc1ccc(Oc2ccccc2)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328217983,MCULE-5459351115	442.937	XQYFRPKBCMGHQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140342
Clc1c(S(=O)(=O)N(C)C)cc(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_40924875	442.937	JNRMANNKDDPEMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140343
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1	ZINC22_13063185,CoCoCo_2840758,EMOLS-id_3648891,PC-id_3880809,MCULE-6415759839	442.937	BKSVNJJOBRNYLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140344
COC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408613674	442.937	XEQMITIWYDTIAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140345
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408628461	442.937	XSLAGMDGAIQNHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140346
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408607644	442.937	NCOYHBHZJOGBQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140347
c1(NC(=O)c2c(Cl)ccc(c2)S(=O)(=O)N2CCOCC2)n(C)nc2CSCc12	EMOLS-id_334564542,MCULE-2403168254	442.94	RZCAWJZFOUDZAW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140348
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)C1CCN(CC1)C(=O)O	SCHEMBL17397922,PC-id_118628206	442.94	ORFQLISWKYTNTP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-140349
CN(CCN(C)Cl)C(=O)Oc1ccccc1C(=O)Nc1nc2c(s1)CS(=O)C2	PC-id_88578843,SCHEMBL10230617	442.94	GFXIJQUHCMJRNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140350
c1(c2CCCc2sc1NCc1ccc(cc1)OC)C(=O)Nc1c(OC)ccc(Cl)c1	ZINC22_2072950,EMOLS-id_8206935,CoCoCo_2720392,PC-id_1734490,SPECS-id_AE-848/42024883,MCULE-8629772952	442.958	VJHJGTHJFJRTLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140351
Clc1c(c2noc(c2C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)C)cccc1	PC-id_44060327	442.962	QZERHDVPTNFMPL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140352
Clc1c(C(=O)N2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cccc1	PC-id_24589246	442.962	VCJCLYIEZJJSBE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140353
N#Cc1c(NC(=O)CCN2CCN(C(=O)c3cccc(Cl)c3)CC2)sc2c1CCC2	CoCoCo_4683686,MCULE-3206438292,PC-id_25504972,ZINC22_12779434,EMOLS-id_18835794	442.962	IZZKYYAMLPLAEV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140354
N#Cc1c(NC(=O)CCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)sc2c1CCC2	PC-id_24674719,EMOLS-id_18853733,MCULE-5201881128,CoCoCo_4701739,ZINC22_23075005	442.962	HRPRRHHPNXIUMN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140355
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCN1CCN(CC1)c1ccccc1Cl	CoCoCo_5749310,NSC682137,CoCoCo_5749309,PC-id_387905	442.982	FANSPMZRWBFNLV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140356
[NH3+]Cc1c(NC(=O)c2cc(ccc2Cl)S(=O)(=O)N(CC)CC)sc2c1CCC2	GD-id_ZINC13588564	443.003	BAIVDVSLPPEYAA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140357
Clc1c(C(N2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)C)cccc1	PC-id_46571585	443.005	SMKKKCDLKXFOPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140358
COC1=CC=C(C=C1)CC2=C(N3[C@H](S2)/C(=CC4=CN5CCS(=O)C5=N4)/C3=O)C(=O)O	PC-id_154423262	443.061	GIFXPIWVQVHRHW-UTCHNTNFSA-N	00001011100000110001001010000000000000000000000000000000	25-01-140359
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)F)C(=O)C(=O)N[C@@H](C)C(F)(F)F	PC-id_154663318	443.127	FOQSPZVZWQCQBN-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-140360
CC(C)(C)OC(=O)CCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)Cl)Cl	PC-id_165018080	443.127	KEXRBIMAIVVIGK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140361
CN(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3)C(=O)C4=CC=C(C=C4)C(F)(F)F	PC-id_165180392	443.157	ALKCJEPLLDFCGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140362
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=CN)N)C(=O)Nc1cc(c(cc1)F)F	PC-id_163975636	443.177	STWBVSJFORFLFM-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-140363
CCCCCCCCC1=NS(=O)(=O)c2c1c(Br)sc2Br	SCHEMBL17339899,PC-id_118579540	443.218	USUIBKUBWYKJRX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-140364
CCCCC([Sn]c1scc2c1OC(O2)C)(CCCC)CCCC	PC-id_141746548	443.222	ZNNYJECHCJNQMS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140365
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)CC5=CN(N=C5)C)N	PC-id_154689198	443.223	KXTYOPIHMPNISR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140366
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)NCCC#N)N	PC-id_154689206	443.223	HOEALDCWSNNDLX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140367
Clc1c(Oc2cc(cc(Cl)c2)C#N)c(F)c(CNC(=O)c2[nH]c3N=CCc3c2)cc1	PC-id_59451541,SCHEMBL13217412	443.258	BHUYFQQKZIXFLG-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-140368
CCCC[Sn](c1cc2c(s1)CCC2OC)(CCCC)CCCC	SCHEMBL7580610,PC-id_70135972	443.265	RTSHNWAGAZTLNL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140369
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_5102104	443.285	XBZLXNOUXXEIPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140370
c1(C(=O)OC)c2C(CCc2sc1NC(=O)Nc1ccc(c(Cl)c1)Cl)C(=O)OC	EMOLS-id_2006574,MCULE-2300615734,PC-id_2963633,ChEMBL-DNDi_CHEMBL7911716	443.301	IDBHWRUSWYXQDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140371
CCOC(=O)c1c(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)sc2c1CCC2	CoCoCo_2937539,ZINC22_23514898,MCULE-7600491061,PC-id_24352654	443.301	FQKPSIYVWCEKCO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140372
CCOC(=O)c1c(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)sc2c1CCC2	CHEMBL1577943,ZINC22_2635683,CoCoCo_2860539,PC-id_2098319,ChEMBL-DNDi_CHEMBL1577943,MCULE-1700327628	443.301	ZBBMHHKXYSUQON-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140373
Clc1c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(Cl)c1	PC-id_4282670	443.301	QENBDFFKROXPLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140374
COC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_517340,ZINC22_950160,PC-id_1188011	443.301	IDBHWRUSWYXQDS-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-140375
COC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_950159,CoCoCo_517341,PC-id_1188010	443.301	IDBHWRUSWYXQDS-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140376
c1(NC(=O)c2ccccc2I)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-9307877544,EMOLS-id_5442779,PC-id_2160353,ChEMBL-DNDi_CHEMBLF0561-0433	443.302	SVGVENDCCOWTEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140377
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1I)C[S@](=O)C2	CoCoCo_4985307,PC-id_41060055,ZINC22_9413566	443.302	SVGVENDCCOWTEK-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140378
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1I)C[S@@](=O)C2	CoCoCo_4985308,ZINC22_9413570,PC-id_41060057	443.302	SVGVENDCCOWTEK-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140379
COC(=O)C1c2c(cn[nH]2)C(N1S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F	PC-id_87352425,SCHEMBL2197619	443.321	KNXKIXZNOPUIJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140380
Clc1ccc(cc1)NC(=O)c1cnc(c(c1Cl)C(=N)C)NCc1nn2c(c1)CCC2	PC-id_145130759	443.329	NGPZFJIOJIFWOD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-140381
c1(C(F)F)c2CCCc2n(CC(=O)Nc2ccn(Cc3c(F)c(F)cc(F)c3F)n2)n1	PC-id_19591245,ZINC22_36614217,MCULE-9084782956,EMOLS-id_8868034	443.346	LWPAXUQNWHYLJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140382
c1(C(F)F)c2CCCc2n(CC(=O)Nc2cnn(c2)Cc2c(F)cc(F)c(F)c2F)n1	MCULE-7569644790,EMOLS-id_8867687,ZINC22_36614071,TIMTEC327306,PC-id_19591088	443.346	NCSGPXDQTXNTTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140383
N#Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCC2	CoCoCo_3268229,PC-id_2421234,ZINC22_3305523,EMOLS-id_3048464,MCULE-1613289776	443.346	VKWFUEWZALEIIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140384
c1(NC(=O)COc2ccc(cc2Cl)Cl)c2CSCc2nn1CC(=O)NCCC	EMOLS-id_24913141,CoCoCo_5277500,ZINC22_23138757,MCULE-3420923398,PC-id_30862095	443.347	APDXFNQLKJISGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140385
Clc1cc(N(C2(c3n(N=C2C)[nH]c(=S)n3)C)C(=O)NCCCC)cc(Cl)c1O	PC-id_18721236	443.351	DLVFGRFECDTKMR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-140386
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2	PC-id_21212431,ZINC22_32109678	443.367	LWSARCGUCKRCTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140387
Clc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cc(Cl)c1	PC-id_17133736	443.367	NJRCJIHZDBDNSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140388
Brc1cn(nc1)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_20178184	443.382	VZFSXSGLZJFZAI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140389
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cn1cc(ccc1=O)C(F)(F)F)C(=O)N	PC-id_41568856	443.397	KAJWMYDWSSEZAC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140390
C#CC1(CC1)NC1OC1C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1cc(F)c(c(c1)F)F	PC-id_142295111	443.418	GIWHAMUTAZSOHA-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-140391
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2	CoCoCo_2840817,MCULE-4936893228,EMOLS-id_2881436,ZINC22_9666640,PC-id_4855410	443.437	QFZZOQFCWZBFGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140392
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2sc(c(C)c2C(=O)OCC)C(=O)C)n1	MCULE-7046365818,ZINC22_869842,CoCoCo_225010,PC-id_1129768,TIMTEC608133,EMOLS-id_1359759,BAS-01939687	443.44	ZYHMMZKXEPBCHZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-140393
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1cc(c(cc1)F)F	PC-id_134302840,SCHEMBL19920552	443.447	STWBVSJFORFLFM-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-140394
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1c(cc(cc1)F)F	SCHEMBL19920507,PC-id_134302796	443.447	QGQZFYLJKKPLFO-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-140395
CCOC(=O)c1c2CCCc2sc1NC(=O)c1nn(c2ccccc2F)c(=O)cc1O	MCULE-5136527213,EMOLS-id_328238251	443.448	OMYXQHLTLWKCCU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140396
CCOC(=O)c1c2CCCc2sc1NC(=O)c1nn(c2ccc(F)cc2)c(=O)cc1O	MCULE-6951777055,EMOLS-id_328246953	443.448	JHFULZFBFUROEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140397
S=C(Nc1ccc(cc1)F)Nc1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117999612,SCHEMBL16624931	443.451	PFJLALWPUHWCOQ-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140398
S=C(Nc1ccc(cc1)F)Nc1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19704647	443.451	PFJLALWPUHWCOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140399
O1C(CN2CCN(CC2)C(=O)OCc2ccc(cc2)C(=O)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_23081597,SCHEMBL5542291	443.453	RBQIXMLZMYITBZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140400
s1c2c(CCC2)c(c1Nc1nc(NCc2ccc(F)cc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127526	443.455	UCRMRPMISNNXHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140401
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C	SCHEMBL4279306,PC-id_57703912	443.456	RAVLHWAJCRVTIL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140402
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cccc(c1)C#N	BindingDB-id_799381,PC-id_134285244,SCHEMBL19900959	443.458	TUPHYMIRTUTSIV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-140403
CC(c1ccc(cc1)Oc1ccc(cc1)C(F)(F)F)NC(=O)c1n(C)nc2c1CC[C@H]2C	PC-id_101992995	443.461	CXGPVCDTLFROLR-GICMACPYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140404
CC(c1ccc(cc1)Oc1ccc(cc1)C(F)(F)F)NC(=O)c1n(C)nc2c1CC[C@@H]2C	PC-id_101992996	443.461	CXGPVCDTLFROLR-MLCCFXAWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140405
FC(F)(F)c1ccc(Oc2ccc(CNC(=O)c3n(nc4C(CCc34)CC)C)cc2)cc1	PC-id_15008426	443.461	QQFQCRFKBOSAJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140406
FC(F)(F)c1ccc(Oc2ccc(C(NC(=O)c3n(nc4C(CCc34)C)C)C)cc2)cc1	PC-id_15008548	443.461	CXGPVCDTLFROLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140407
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1c(F)cccc1F	PC-id_16947938	443.466	RNTSPWXCCZRYGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140408
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_24379080	443.47	UABSPAKKCVUUQM-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140409
COc1ccc(Cn2nc3CCC(C)c3c2I)c(Br)c1	EMOLS-id_330963127,MCULE-5667868214	447.109	GAEHUEDYWRBEGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141712
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_74266681	443.47	UABSPAKKCVUUQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140410
CC1(COCc2ccc(cc2)OCc2ccccc2)Cn2c(S1(=O)=O)nc(c2)[N+](=O)[O-]	PC-id_146000608	443.473	BIDHUCWHCVSOMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140411
COc1cc(ccc1n1cnc(c1)C)/C=c
/c(=O)n(c2n1ccn2)C(c1ccc(cc1)F)C	SCHEMBL8060676	443.473	BRLPEQMKJIVNKC-UUYOSTAYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-140412
Fc1ccc(C(n2c3n(c(=Cc4cc(OC)c(n5cc(nc5)C)cc4)c2=O)ccn3)C)cc1	PC-id_25185882	443.473	BRLPEQMKJIVNKC-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-140413
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(Cn2nccc2)cc1)C(=O)OCC	PC-id_55646721	443.473	QJCARAJNKDPCGJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-140414
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_4256753	443.473	ZAEDHDVCEAUPMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140415
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_6050126	443.473	ZAEDHDVCEAUPMX-SSDVNMTOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140416
c1(NC(=O)COc2cccnc2NC(=O)NCCCC(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321872250,MCULE-6387866287	443.476	SUPISOKBRZLVFW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140417
c1(NC(=O)COc2cccnc2NC(=O)N(C)CCC(=O)O)sc2c(CCC2)c1C#N	MCULE-2756413583,EMOLS-id_321875067	443.476	SFRYGGKWVKYISU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140418
c1(NC(=O)COc2cccnc2NC(=O)NC(CC)C(=O)O)sc2c(CCC2)c1C#N	MCULE-9517929287,EMOLS-id_321874554	443.476	QBQXJVIYQLOTGV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140419
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(c2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_321807474,MCULE-6983969403	443.478	YGDQMAWOMPIHDH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-140420
CCc1c(C)sc(NC(=O)[C@H](CC)n2nc(C(F)(F)F)c3c2CCC3)c1C(=O)OC	ZINC22_20607575,PC-id_29092487	443.483	AGKSCUIWNAVFPF-ZDUSSCGKSA-N	00000010100100000001000010000000000000000000000000000000	25-01-140421
CCc1c(C)sc(NC(=O)[C@@H](CC)n2nc(C(F)(F)F)c3c2CCC3)c1C(=O)OC	ZINC22_20607576,PC-id_29092488	443.483	AGKSCUIWNAVFPF-CYBMUJFWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-140422
CCC(C(=O)Nc1sc(C)c(CC)c1C(=O)OC)n1nc(c2CCCc12)C(F)(F)F	SCHEMBL1006228,TIMTEC37440,EMOLS-id_8867904,PC-id_19591183,MCULE-8685762083	443.483	AGKSCUIWNAVFPF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-140423
CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)Nc1sc(c(c1C(=O)O)C(C)C)C	PC-id_66874372,SCHEMBL1006231	443.483	HIVHQQVHGLUOPY-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-140424
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccc(cc1)OC(F)(F)F)C1CCCC1	PC-id_92110032	443.483	BEPPNFRPHNIHCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140425
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccccc1OC(F)(F)F)C1CCCC1	PC-id_92110077	443.483	VXZGJZVVQTVBCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140426
CSc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2CC1CC1(F)F)c1cccc(c1)F	PC-id_144952240	443.485	FXBYBAQPXSCZJK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-140427
CC(CNS(=O)O)c1nn2c(n1)C(=NNc1nc(c(n1C)C#N)C#N)C(=N2)C(C)(C)C	PC-id_89330942	443.486	XMILHOVNBUSLPI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-140428
Fc1ccc(Cc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_324837619	443.493	JQDPZDSABQGGAF-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140429
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)Cc1ccc(F)cc1	MCULE-5452872818	443.493	JQDPZDSABQGGAF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140430
CCCCNC(=O)N1Cc2c(C1C)nn(c2NC(=O)OCc1ccccc1)C(=O)OCC	PC-id_142739753	443.496	YHXSOYGSSCODSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140431
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccco1	SCHEMBL14057528,PC-id_89238723	443.496	QBCRHOOCXPKZPD-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-140432
COc1ccc(cc1)COC(=O)C1=CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)S(=O)CC2	PC-id_67717706,SCHEMBL8889333	443.496	KFGQBQFAIXOPOE-GXSGIKQKSA-N	00001011100000110001001010000000000000000000000000000000	25-01-140433
O1C(CN2CCN(CC2)c2ccc(cc2)C(=O)OC(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_77712987	443.496	ZLMHRTBSCOQUBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140434
O1[C@@](CN2CCN(CC2)c2ccc(cc2)C(=O)OC(C)(C)C)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL6010840,PC-id_69635385	443.496	ZLMHRTBSCOQUBJ-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140435
O1C(CN2CCN(CC2)c2cc(C(C)(C)C)c(cc2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635389	443.496	XZXSYFNVHQANSN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140436
O1[C@@](CN2CCN(CC2)c2cc(C(C)(C)C)c(cc2)C(=O)O)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL6010849,PC-id_69635391	443.496	XZXSYFNVHQANSN-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140437
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1scc(n1)c1cc([N+](=O)[O-])ccc1)C	PC-id_42978167	443.496	ASMBOFSPCPZQBR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140438
s1c2CCCc2cc1C(=O)O[C@H](C(=O)Nc1scc(n1)c1cc([N+](=O)[O-])ccc1)C	PC-id_40924884	443.496	ASMBOFSPCPZQBR-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-140439
s1c2CCCc2cc1C(=O)O[C@@H](C(=O)Nc1scc(n1)c1cc([N+](=O)[O-])ccc1)C	PC-id_40924890	443.496	ASMBOFSPCPZQBR-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140440
S1C2N(C(=O)C2=Cc2nc3S(=O)CCn3c2)C(=C1)C(=O)OCc1ccc(OC)cc1	PC-id_77340973	443.496	KFGQBQFAIXOPOE-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-140441
Oc1ccc(cc1)Nc1n(Cc2ccc(cc2)C(F)(F)F)cc2c1CCN2CC(C)(C)C	SCHEMBL17656470,PC-id_121258551	443.505	OYJYLIHIXIKKEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140442
Fc1cc(Br)ccc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324911623	443.506	IFJFDDADLMEYCP-BAQGIRSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140443
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1Br	EMOLS-id_324911619	443.506	NHKRZMOEGDBEOO-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140444
n12c(=O)c(=Cc3ccc(Br)cc3F)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-5635558470	443.506	IFJFDDADLMEYCP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140445
n12c(=O)c(=Cc3ccc(c(Br)c3)F)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7112282175	443.506	NHKRZMOEGDBEOO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140446
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccccc1OCCC)C(=O)OC	MCULE-6034994696,PC-id_73568707	443.513	NZSNRQKPFIQKOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140447
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)OCCC)C(=O)OC	PC-id_73551917,MCULE-1958648145	443.513	NDNZXHZYMREBLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140448
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1c(ccc(c1)C)C)C(=O)OC	PC-id_42966151	443.513	FXJUORPPDYPQSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140449
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_3633968	443.513	ICYGYBWMILHRQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140450
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1ccc(OCCC)cc1)C(=O)OC	PC-id_19175051	443.513	NDNZXHZYMREBLP-KPKJPENVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140451
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1c(OCCC)cccc1)C(=O)OC	PC-id_19204235	443.513	NZSNRQKPFIQKOH-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140452
c12c(CCC1C(=O)N1CCC(CC1)C(=O)OC)sc(NC(=O)c1ccc(cc1)OC)n2	EMOLS-id_12347701,PC-id_16947820,MCULE-9803246074	443.516	WIVULPUHGYOTSD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140453
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccccc1C(=O)OC	ZINC22_1159406,PC-id_1328330,MCULE-1362504647,EMOLS-id_177549665	443.516	WWJBZGRVHXTZKT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140454
Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3225751,PC-id_2117702,ZINC22_2654208,CoCoCo_3090967,MCULE-8429231247	443.516	WREXZOWPXCIVLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140455
Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1C	ZINC22_2663091,MCULE-7171484085,CoCoCo_3090965,PC-id_2127193,EMOLS-id_3240395	443.516	OBIUUTAXOHKRMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140456
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCCC1	PC-id_89238304,SCHEMBL14057031	443.516	UTQZHSQTZKRIAE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140457
CCN(C(=O)COC(=O)CCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	EMOLS-id_3386899,PC-id_4969615,CoCoCo_3090973,ZINC22_9144748,MCULE-8233859567	443.516	BALOLSGEJIWDGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140458
COC(=O)C1CCN(C(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(OC)cc4)nc23)CC1	CoCoCo_5124860,ZINC22_9301156,PC-id_41007065	443.516	WIVULPUHGYOTSD-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140459
COC(=O)C1CCN(C(=O)[C@H]2CCc3sc(NC(=O)c4ccc(OC)cc4)nc23)CC1	ZINC22_9301151,CoCoCo_5124861,PC-id_41007062	443.516	WIVULPUHGYOTSD-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140460
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(N2CCCCC2)cc1)C(=O)OCC	PC-id_3256525	443.516	MARYNTDDQSMGOJ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-140461
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(N2CCC(CC2)C)cc1)C(=O)OC	PC-id_23791167	443.516	VBZXYUQPHJVWNK-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-140462
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(N2CCCCCC2)cc1)C(=O)OC	PC-id_24130681	443.516	ZZGVDIXMNOQDIF-UHFFFAOYSA-N	00000010100000110100100010000000000000000000000000000000	25-01-140463
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(C(=O)NC(C)(C)C)cccc1)C(=O)N	PC-id_4794588	443.516	SBMKGQBHJWUDIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140464
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccccc1)C(C)C)C(=O)N	PC-id_4679936	443.516	LLILTEADIVTKJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140465
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C#N	MCULE-2447190561	443.518	FNTVEUIOHRMARW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140466
CCN1C[C@H](C)N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cn1)F	SCHEMBL10076807,PC-id_59508184	443.518	PPAYRRNDFIAIQS-KZUDCZAMSA-N	00000010100010101001000010000000000000000000000000000000	25-01-140467
CCN1C[C@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cn1)F	BindingDB_PC-id_69758532,SCHEMBL6376612,PC-id_69758532	443.518	PPAYRRNDFIAIQS-KBPBESRZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-140468
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cn1)F	SCHEMBL596378,PC-id_66738639	443.518	PPAYRRNDFIAIQS-KGLIPLIRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-140469
O=C(COc1cccc(NC(=O)/C=C/c2ccccc2)c1)Nc1sc2CCCc2c1C#N	EMOLS-id_323203199	443.518	FNTVEUIOHRMARW-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140470
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(S(=O)(=O)N)sc1)C)C(=O)N	PC-id_24531196	443.518	PHGJBVGVPCWMPK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140471
c1(NC(=O)C2CC(=O)N(c3ccccc3)C2)c2CSCc2nn1CC(=O)NCCOC	EMOLS-id_24913325,MCULE-4504062701,PC-id_44053036	443.519	DUOQUEMBTRYCIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140472
c1(NC(=O)COc2cccnc2NC(=O)NCCCOCC)sc2c(CCC2)c1C#N	EMOLS-id_321872506,MCULE-2590367136	443.519	OYNDMKKKWGDROG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140473
c1(NC(=O)COc2nonc2CC(=O)N2CC(C)CC(C)C2)sc2CCCc2c1C#N	EMOLS-id_333692199,MCULE-8030299706	443.519	XTTQGFNNDOKNRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140474
CCN1CCN(c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCC4)cc2[N+](=O)[O-])CC1	ZINC22_9086988,PC-id_4302235,SCHEMBL8289666,MCULE-1177333130,EMOLS-id_44218565	443.519	HREADDFHXWFAGL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140475
COCCNC(=O)Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CSC2	PC-id_30862344,CoCoCo_5277600,ZINC22_23139034	443.519	DUOQUEMBTRYCIW-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140476
COCCNC(=O)Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CSC2	ZINC22_23139037,PC-id_30862347,CoCoCo_5277601	443.519	DUOQUEMBTRYCIW-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140477
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1c([N+](=O)[O-])cccc1)C)C(=O)N	PC-id_26300649	443.519	WBVUWVHLGJOATG-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140478
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1c([N+](=O)[O-])cccc1)C)C(=O)N	PC-id_26300651	443.519	WBVUWVHLGJOATG-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140479
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C)C(=O)N	PC-id_46630636	443.519	YIPWYQJPFQKXIA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140480
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1c([N+](=O)[O-])cccc1)C)C(=O)N	PC-id_24506758	443.519	WBVUWVHLGJOATG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140481
s1c2c(CCC2)c(c1Nc1nc(NCCC2=CCCCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127565	443.523	QHGYPTYCZGOCAB-UHFFFAOYSA-N	00000010100011100001000010000000000000000000000000000000	25-01-140482
CC#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cnn2CC)CC(=O)O	PC-id_118196037,SCHEMBL16861270	443.537	HORCJKWDNJDIDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140483
c1(NC(=O)c2noc(c3cccs3)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6501123665,TIMTEC519991,EMOLS-id_13124389,PC-id_43843207	443.539	WDPXSGDABXQGIP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-140484
c1(NC(=O)CSc2nnc(c3ccc(cc3)C)o2)sc2c(CCC2)c1C(=O)OCC	MCULE-1077701758,ZINC22_9416830,CoCoCo_4988383,EMOLS-id_5445969,PC-id_4277957	443.539	OMMABKQJPVRWLR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140485
c1(NC(=O)CSc2nnc(c3cccc(C)c3)o2)sc2c(CCC2)c1C(=O)OCC	MCULE-1826513663,PC-id_5098382	443.539	KPRFXIDXOLNPMZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140486
c1(NC(=O)CSc2nnc(Cc3ccccc3)o2)sc2c(CCC2)c1C(=O)OCC	MCULE-6950301251,PC-id_1034462,ZINC22_704077,SPECS-id_AF-399/42878205,CoCoCo_6269027,EMOLS-id_8210593	443.539	GUUHJJCJGZXRER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140487
c1(NC(=O)CSc2noc(Cc3ccccc3)n2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6600804,ZINC22_28527345,PC-id_16458610,MCULE-6719185151	443.539	AFWGVJAYCHBSOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140488
CC1(c2c(CN1C(=O)OC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)C(C)(C)OC)C	PC-id_89801131,SCHEMBL15252803	443.539	UWMHNHZIXYBDDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140489
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)cc1	ZINC22_25768698,PC-id_33040386	443.539	LFGPCFDVWICVDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140490
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(cc1)OCc1scc(n1)C	PC-id_121094421	443.539	CYYQHPKAVUWWHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140491
CNc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)COCOC(=O)C(C)(C)C	SCHEMBL19542319	443.539	BPGKGOSOSCUORO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140492
COC(C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C)(C)C	PC-id_58015601,SCHEMBL12879454	443.539	UWMHNHZIXYBDDW-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140493
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1cc(c2cccs2)on1	CoCoCo_6411952,ZINC22_27990572,PC-id_35342179	443.539	WDPXSGDABXQGIP-LBPRGKRZSA-N	00000010100100000001100010000000000000000000000000000000	25-01-140494
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1cc(c2cccs2)on1	PC-id_35342182,CoCoCo_6411953,ZINC22_27990576	443.539	WDPXSGDABXQGIP-GFCCVEGCSA-N	00000010100100000001100010000000000000000000000000000000	25-01-140495
s1c2CCCc2cc1C(=O)NNC(=O)c1sc(nc1C)c1cc(OC)c(OC)cc1	PC-id_26832635	443.539	ZNGULXIZYFWMHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140496
s1c2c(CCC2)c(c1NC(=O)Cn1nc(c2sc(cc2)C)ccc1=O)C(=O)OCC	PC-id_56238809	443.539	BMKFQHLUIVMEPI-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-140497
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)Nc1c(O)cccc1)C(=O)N	PC-id_26385352	443.539	SJMHOGRZBJLRFS-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-140498
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(c(cc1)C)C)C(=O)OC	PC-id_4138175	443.539	RNQHOKWWHFMRSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140499
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(cccc1)C)C(=O)OCC	PC-id_4578201	443.539	FDNDLFFUMRWUHR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140500
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1sccc1	PC-id_16948018	443.539	HALSAINGZBVGTA-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-140501
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(cc2)C)c(OC)cc1	PC-id_33040358	443.539	JJSHFOVBVDWILZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140502
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)Cc1ccccc1)C(=O)[O-]	PC-id_14124319	443.539	MTVCBLSHMSSXFQ-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-140503
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1CCn2c1c[n+](c2)Cc1ccccc1)C(=O)[O-]	PC-id_10478589	443.539	MTVCBLSHMSSXFQ-OVMZWLKVSA-N	00001011100000110001001010000000000000000000000000000000	25-01-140504
CC1(c2c(CN1C(=O)Nc1ccccc1c1ccccc1)c(n[nH]2)NC(=O)C1(CCC1)C)C	PC-id_134426880,SCHEMBL20060504	443.541	CTIBZRPURRRERM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-140505
CCc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1	PC-id_58015686,SCHEMBL12879441	443.541	QMEIHYKGIQFEAZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-140506
CCc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_140544980	443.541	QMEIHYKGIQFEAZ-PZJWPPBQSA-N	00100010100000110001100010000000000000000000000000000000	25-01-140507
n12nc(nc1sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O)C=Cc1cccs1	MCULE-5812342921	443.541	UEMSCQPNYHGQHW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-140508
n1c(CNC(=O)CC2C(=O)NCCN2Cc2ccc(cc2)c2ccccc2)c2c(CCC2)[nH]1	MCULE-5262285907,EMOLS-id_20604391,PC-id_45217635	443.541	HVUHSQNBANVLDD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140509
O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)/sc2nc(/C=C/c3cccs3)nn12	EMOLS-id_45970408,ZINC22_27022389	443.541	UEMSCQPNYHGQHW-JTHDKOFASA-N	00000000100100110001000010000000000000000000000000000000	25-01-140510
O=c1/c(=Cc2ccc(OCc3ccccc3)cc2)/sc2nc(/C=C/c3cccs3)nn12	ZINC22_16779428	443.541	UEMSCQPNYHGQHW-CNTOZLEXSA-N	00000000100100110001000010000000000000000000000000000000	25-01-140511
O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(c2ccccc2)cc1)NCc1n[nH]c2c1CCC2	CoCoCo_1424748,CoCoCo_1424744,CoCoCo_1424742,CoCoCo_1424746,ZINC22_19335418	443.541	HVUHSQNBANVLDD-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-140512
O=C(C[C@H]1C(=O)NCCN1Cc1ccc(c2ccccc2)cc1)NCc1n[nH]c2c1CCC2	ZINC22_19335413,CoCoCo_1424743,CoCoCo_1424745,CoCoCo_1424747,CoCoCo_1424741	443.541	HVUHSQNBANVLDD-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140513
O=C([C@@H](c1ccccc1)C)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCCCC1	SCHEMBL2926514,PC-id_11305328	443.541	LADUAHSSGUEXFX-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140514
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccoc1C	CoCoCo_3096680,PC-id_2467540,MCULE-3300912179,EMOLS-id_3356020,ZINC22_3350534	443.542	YHDMEUDVQYLBCP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-140515
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1[nH]nc(n1)COc1ccc(cc1)C	CoCoCo_3143005,EMOLS-id_3289566,PC-id_2482930,CoCoCo_3143007,MCULE-2744719461,CoCoCo_3143006,CoCoCo_3143004	443.542	BOFJFFBRUHRBFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140516
s1c2CCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1ccc(OC)cc1	PC-id_24540845	443.542	UYMYESCAJMGFQC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140517
s1c2CCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1ccc(OCC)cc1	PC-id_24540847	443.542	DDJVELFNMMVZSV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140518
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCc2ccccc2)c(=O)[nH]n1)C(=O)N	PC-id_32037446	443.542	GGJUOEASNDQBRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140519
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1cccnc1)C(=O)OC	PC-id_20126813	443.542	OIJZYFJSXAZMRW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140520
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccncc1)C(=O)OC	PC-id_20126921	443.542	AWAVQDILIUEYHE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140521
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ncccc1)C(=O)OC	PC-id_17303646	443.542	YREJXHHZCGWGCK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140522
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)Cc1occc1)C(=O)N	PC-id_29696010	443.542	JKJMYNSQCRPRQZ-UHFFFAOYSA-N	00100010101000000001100010000000000000000000000000000000	25-01-140523
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)C)C(=O)OCC	PC-id_20126775	443.542	FCZNDYKSVVFNKI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140524
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)C)C(=O)N	PC-id_31992280	443.542	AKNIWMAVMDRMMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140525
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)C)C(=O)OCC	PC-id_20126991	443.542	JKFFOSOUGSHQBW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140526
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)C)C(=O)N	PC-id_3181103	443.542	DOMFTKYJZWDFIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140527
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(cc(cc1)C)C)C(=O)OC	PC-id_16509645	443.542	MOPGEWSTBPTRDT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140528
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1cc(c(cc1)C)C)C(=O)OC	PC-id_18874310	443.542	FFZPVGSWGBQNSZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140529
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(cccc1)C)C(=O)OCC	PC-id_16508648	443.542	DASLWHXLYIFFEF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140530
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(cc1)C)C(=O)OCC	PC-id_2615574	443.542	CQGNVOOUGNLASG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140531
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(CC)cc1)C(=O)OC	PC-id_18874208	443.542	BOXSAQLOUHRDCF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140532
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)Nc1nc(ccc1)C)C(=O)OCC	PC-id_49737806	443.542	MWUYOTOZXFZRIZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-140533
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)Nc1nccc(c1)C)C(=O)OCC	PC-id_49738033	443.542	SQOWRVNPBCJVBG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-140534
CCc1oc(c(n1)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C	SCHEMBL597904,PC-id_59508162,BindingDB_PC-id_59508162	443.543	NKDDTEBHPGNXCF-OLZOCXBDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140535
CN=C(N1CCN(CC1)Cc1cc(OC)c(c(c1)OC)OC)NCc1nnc2n1CCC2	PC-id_109413728	443.543	KNMLRIBRJNMARU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140536
CN=C(NCc1nnc2n1CCC2)NCC(c1ccc(c(c1)OC)OC)N1CCOCC1	PC-id_111020377	443.543	OLEPIAVGRVQAQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140537
O=C(N1C(c2[nH]nc(NC(=O)c3oc(nc3C)CC)c2C1)(C)C)N1C(CN(C(C1)C)C)C	PC-id_72310303	443.543	NKDDTEBHPGNXCF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140538
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(cc1)C(C)(C)C)C(=O)OC	PC-id_19221211,MCULE-4231285607	443.556	BXGRKQFWFMPVPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140539
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-4878232389,PC-id_4547431	443.556	WBBRJDPGZQMJSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140540
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCC(C)C)sc2c(CCC2)c1C(=O)OC	MCULE-7780396311,PC-id_3464625	443.556	URWAOAITRHQBFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140541
c1(NC(=O)C=Cc2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-5440659484,PC-id_78258059	443.556	JZNFDSDKURWSNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140542
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OCC)c(OCCCC)cc1)C(=O)OC	PC-id_2071523	443.556	JZNFDSDKURWSNO-ACCUITESSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140543
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCCCC)cc1)C(=O)OC	PC-id_1638486	443.556	WBBRJDPGZQMJSS-ACCUITESSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140544
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCC(C)C)cc1)C(=O)OC	PC-id_1701837	443.556	URWAOAITRHQBFJ-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140545
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)OCCCc1ccccc1)C(=O)OCC	PC-id_4923741	443.556	HYEJGURQJIFMKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140546
c1(c2CCCc2sc1NC(=O)CNCC1CCCO1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2186714,PC-id_2923886,MCULE-6473327413	443.559	LYBZPSUHESOXIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140547
c1(c2CCCc2sc1NC(=O)CNCC1CCCO1)C(=O)Nc1ccccc1OCC	PC-id_2922810,MCULE-9167473053,EMOLS-id_42752465	443.559	HIQPRIVVLTWHAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140548
C1(CC(=O)N(CCCC)C1c1cccc(OC)c1OC)C(=O)Nc1sc2c(CCC2)n1	EMOLS-id_323374502,MCULE-9001672692	443.559	CWFMPSSJQPRPGO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140549
c1(NC(=O)CCc2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1557791887,EMOLS-id_334388509	443.559	JVGMNQOXCRNBTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140550
c1(NC(=O)COc2cn(c(cc2=O)C)CCCOCCCC)sc2CCCc2c1C#N	MCULE-5643526236,EMOLS-id_331631042	443.559	BJMJWVASOMHFDB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140551
C=CCSc1cc2n(c1C(=O)c1ccsc1)C(CC2C(=O)O)C(=O)c1cccs1	SCHEMBL10920380,PC-id_70472991	443.559	CNBCNBXWHWSXIT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140552
C=CCSc1cc2n(c1C(=O)c1ccsc1)CCC2(C(=O)O)C(=O)c1ccsc1	PC-id_70472992,SCHEMBL10920382	443.559	RGAGINUCFUZREZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140553
C=CCSc1sccc1C(=O)c1cc2n(c1C(=O)c1ccsc1)CCC2C(=O)O	SCHEMBL10920373,PC-id_70472989	443.559	ZHNMDGOBTZTSQD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140554
CCOc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)CC1	MCULE-6972626341,CoCoCo_3371056,PC-id_16255970,EMOLS-id_3511150,CoCoCo_3371055,ZINC22_34887530	443.559	GNTDPYOSFXNZRK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140555
CCOc1ccccc1NC(=O)c1c(NC(=O)CNC[C@@H]2CCCO2)sc2c1CCC2	PC-id_26864327,CoCoCo_866586,ZINC22_15919368	443.559	HIQPRIVVLTWHAK-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140556
CCOc1ccccc1NC(=O)c1c(NC(=O)CNC[C@H]2CCCO2)sc2c1CCC2	PC-id_26864329,CoCoCo_866587,ZINC22_15919369	443.559	HIQPRIVVLTWHAK-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140557
CCOc1ccc(NC(=O)c2c(NC(=O)CNC[C@@H]3CCCO3)sc3c2CCC3)cc1	CoCoCo_869067,PC-id_27003184,ZINC22_16193287	443.559	LYBZPSUHESOXIC-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140558
CCOc1ccc(NC(=O)c2c(NC(=O)CNC[C@H]3CCCO3)sc3c2CCC3)cc1	ZINC22_16193290,PC-id_27003189,CoCoCo_869068	443.559	LYBZPSUHESOXIC-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140559
CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)sc2c1CCC2	CoCoCo_3369409,CoCoCo_3369410,EMOLS-id_4276157,MCULE-7748551742,ZINC22_14196319,PC-id_4818285	443.559	GKJABQUIAQLUQI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140560
CCOC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)sc2c1CCC2	CoCoCo_3586669,CoCoCo_3586668,ZINC22_3399871,PC-id_2518428,MCULE-6997277149,EMOLS-id_24174629	443.559	YYTNDYUYRNIBIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140561
CC(=O)N1CCN(CC1)Cc1sc2c(c1)CN(C2)C(=O)c1cc(C(C)C)c(cc1O)O	PC-id_141750768	443.559	WFBVFDRJROCUPD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140562
COc1ccc(c(c1)C1CCCN1C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)OC	EMOLS-id_3564916,MCULE-6055800884,PC-id_16309927	443.559	CKFNCTQNTBZRJH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140563
COc1ccc(c(c1)OC)C1CCCN1C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-4729240986,PC-id_17431794,EMOLS-id_12009783	443.559	ODSFLUYBWVYFPU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140564
COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	CoCoCo_4230805,PC-id_25935782,CoCoCo_4230803,ZINC22_14070157	443.559	ODSFLUYBWVYFPU-GUYCJALGSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140565
COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	PC-id_40797058,ZINC22_8723697,CoCoCo_4230809,CoCoCo_4230807	443.559	ODSFLUYBWVYFPU-SUMWQHHRSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140566
COc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	PC-id_40797060,CoCoCo_4230806,ZINC22_8723698,CoCoCo_4230808	443.559	ODSFLUYBWVYFPU-CXAGYDPISA-N	00000010100000110000100010000000000000000000000000000000	25-01-140567
COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c(OC)c1	PC-id_51723678,ZINC22_36385404,CoCoCo_4230804,CoCoCo_4230802	443.559	ODSFLUYBWVYFPU-DYVFJYSZSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140568
COc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_4230757,CoCoCo_4230755,PC-id_41060498,ZINC22_9414486	443.559	CKFNCTQNTBZRJH-SUMWQHHRSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140569
COc1ccc(OC)c([C@@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_25732070,CoCoCo_4230753,ZINC22_13165182,CoCoCo_4230751	443.559	CKFNCTQNTBZRJH-GUYCJALGSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140570
COc1ccc(OC)c([C@@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_98310355,CoCoCo_4230752,CoCoCo_4230750,ZINC22_102433125	443.559	CKFNCTQNTBZRJH-DYVFJYSZSA-N	00000010100000110000100010000000000000000000000000000000	25-01-140571
COc1ccc(OC)c([C@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	ZINC22_9414489,CoCoCo_4230754,CoCoCo_4230756,PC-id_41060502	443.559	CKFNCTQNTBZRJH-CXAGYDPISA-N	00000010100000110000100010000000000000000000000000000000	25-01-140572
COc1cc(OC)c(cc1C(=O)N1Cc2c(C1)cc(s2)CN1CCNC(=O)C1)C(C)C	PC-id_141750762	443.559	IEIPJMZYSPTPKK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140573
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(OC)cc1)C(=O)OCC	PC-id_4818624	443.559	ZWAHORZTJUGGJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140574
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C(=O)OCC	PC-id_4824706	443.559	DMDLPQIIGWBURE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140575
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_22195015	443.559	QLMBVCQFXQKWLZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140576
s1c2c(CCC2)c(c1NC(=O)CNc1c(c(NC(=O)CCC)ccc1)C)C(=O)OCC	PC-id_56099662	443.559	IZKYZUDWTJVNJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140577
s1c2c(CCC2)c(c1NC(=O)CNc1c(N2CCC(O)CC2)cccc1)C(=O)OCC	PC-id_52704914	443.559	SABANRDGKWRSNK-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-140578
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1c(ccc(c1)C)C)C)C(=O)OCC	PC-id_4818632	443.559	RMSTVLBQJGWASA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140579
s1c2CCCc2nc1CN1CCN(CC1)C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	PC-id_44060306	443.559	MZSSSSQKMRSJBQ-BQYQJAHWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140580
s1c2CCCc2nc1CN1CCN(CC1)C(=O)C=Cc1cc(OC)c(OC)c(OC)c1	PC-id_74912088	443.559	MZSSSSQKMRSJBQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140581
s1c2CCC(C(=O)NC3CCCCCC3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16948005	443.559	HJMDPSYNAJBWPH-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140582
s1c2CCC(C(=O)NCC3CCCCC3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16948104	443.559	BGUISVMIFMHGSK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140583
c1(ccccc1NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_328058238,MCULE-8843453501	443.561	YYBXRXFUPGDSGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140584
CCc1ccc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1	BindingDB-id_546053,SCHEMBL16624983,BindingDB_PC-id_117999662,PC-id_117999662	443.561	NASWGROEELAJMP-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-140585
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCN(C)C)sc2CCCc2c1C#N	MCULE-1583522281,EMOLS-id_331928088	443.562	TVRWILVVYPPRDU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140586
S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)/C=C/C(=O)N(Cc1n2CCCc2nn1)C	PC-id_52599199	443.562	SRKRWBAVXIYHGC-JLHYYAGUSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140587
S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)C=CC(=O)N(Cc1n2CCCc2nn1)C	PC-id_75878335	443.562	SRKRWBAVXIYHGC-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-140588
COc1ccccc1Nc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)s1	PC-id_16318382,ZINC22_9139703,EMOLS-id_11749829,MCULE-6260626263,CoCoCo_3013587	443.566	LHHHAPJUXMNUMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140589
COc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)s2)c1	EMOLS-id_11743039,CoCoCo_2898246,MCULE-8200719337,ZINC22_9469194,PC-id_16313996	443.566	BIERNWSWTDBDCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140590
COc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1	PC-id_16345528,ZINC22_9645222,CoCoCo_3023261,EMOLS-id_11789450,MCULE-3681039829	443.566	CNOHAUMFNCKAAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140591
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)OC(=O)CCCC[C@@H]1CCSS1	PC-id_72165198,SCHEMBL16726840	443.579	DWSKNCOIEPZXGB-QNSVNVJESA-N	00000010100000110001000010000000000000000000000000000000	25-01-140592
s1c2c(c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_74552171	443.579	GYHCBPRKEIHTBZ-UHFFFAOYSA-M	00000010100011000000000010000000000000000000000000000000	25-01-140593
s1c2c(c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_28250717	443.579	GYHCBPRKEIHTBZ-MSOLQXFVSA-M	00000010100011000000000010000000000000000000000000000000	25-01-140594
s1c2c(c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_28250719	443.579	GYHCBPRKEIHTBZ-ROUUACIJSA-M	00000010100011000000000010000000000000000000000000000000	25-01-140595
s1c2c(c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_28250723	443.579	GYHCBPRKEIHTBZ-QZTJIDSGSA-M	00000010100011000000000010000000000000000000000000000000	25-01-140596
s1c2c(c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)NC1CCCCC1)CCC2	PC-id_28250726	443.579	GYHCBPRKEIHTBZ-ZWKOTPCHSA-M	00000010100011000000000010000000000000000000000000000000	25-01-140597
S1SCC[C@@H]1CCCCC(=O)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_72196073	443.579	DWSKNCOIEPZXGB-ZENAZSQFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140598
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CC=C)sc2CCCc2c1C#N	MCULE-4794001249,EMOLS-id_331792050	443.582	VUOYMASPGMBNCI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140599
c1(NC(=O)CS(=O)C(C)C(=O)Nc2c(CC)cccc2C)sc2c(CCC2)c1C#N	EMOLS-id_320650715,MCULE-2754456360	443.582	FKQFGZIADICQHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140600
c1(NC(=O)CS(=O)C(C)C(=O)Nc2c(C)cc(C)cc2C)sc2c(CCC2)c1C#N	MCULE-2865486129,EMOLS-id_320696666	443.582	XFYKMUDSAOEQHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140601
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-6392091379,EMOLS-id_320731730	443.582	RRFMSYRQRFAQDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140602
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)CCCC)sc2c(CCC2)c1C#N	MCULE-9273307057,EMOLS-id_320680518	443.582	ISEJCRBFBKVXHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140603
c1(NC(=O)CS(=O)CC(=O)Nc2c(C)cccc2C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320659948,MCULE-1379982582	443.582	OGYUIJACLVPQMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140604
c1(NC(=O)CS(=O)CC(=O)Nc2c(CC)cccc2CC)sc2c(CCC2)c1C#N	MCULE-5919758558,EMOLS-id_320732988	443.582	QILMALCZTHWNGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140605
CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_5429386,PC-id_4134387,MCULE-1282772326	443.582	SCQPIHUOOMHNIW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140606
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CNC(=O)c1cc2c(s1)CCC2	ZINC22_2325721580	443.582	UKPWQBQMQMSRGO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140607
C=C/C=C(/C(NC(=O)Nc1ccc(cc1)S(=O)(=O)Cc1sc2c(c1)CNC2)C)C=C	PC-id_145372882	443.582	FNZQOIBDDDTSRK-OMCISZLKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140608
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)C1	CoCoCo_4974653,ZINC22_9367592,PC-id_41038040	443.582	SCQPIHUOOMHNIW-HUUCEWRRSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140609
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)C1	PC-id_27602095,CoCoCo_4974652,ZINC22_17244494	443.582	SCQPIHUOOMHNIW-GASCZTMLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140610
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)C1	ZINC22_9367591,PC-id_41038039,CoCoCo_4974651	443.582	SCQPIHUOOMHNIW-GJZGRUSLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140611
N#Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCC2	CoCoCo_3268223,ZINC22_3307020,PC-id_2422772,MCULE-3887980359,EMOLS-id_43827590	443.582	QVYVHLOWNXRZCM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140612
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)CCOc1ccccc1)C)C(=O)N	PC-id_30625945	443.582	JLANJRUQYKPLIV-INIZCTEOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-140613
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)CCOc1ccccc1)C)C(=O)N	PC-id_30625954	443.582	JLANJRUQYKPLIV-MRXNPFEDSA-O	00000010100010110001000010000000000000000000000000000000	25-01-140614
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_51628884	443.582	BLVFGGCQXVROSF-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-140615
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)CCOc1ccccc1)C)C(=O)N	PC-id_85468632	443.582	JLANJRUQYKPLIV-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-140616
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OC	PC-id_20408607	443.582	MUDPVFIKQXFIAO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140617
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(=O)OC	PC-id_20166788	443.582	ILDDMHRKVMQRAG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140618
S(=O)(=O)(N(C1CCCCC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_23964924	443.582	XVIZKABXZPDFDC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140619
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(NC(=O)c2scnc2C)CC1)C#N	PC-id_56232034	443.585	BWFKXLGBHPSKAM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140620
Fc1ccc(cc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140883005	443.59	BOZMTLYOIRCOKN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-140621
Fc1cccc(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140883039	443.59	VKCSXKQKLVJEBL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-140622
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1F	PC-id_140883043	443.59	DVYTUUXYJNMFOY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-140623
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC)sc2c(CCC2)c1C(=O)OCC	MCULE-7075409350,PC-id_2072049	443.599	ZXXZVJACPIAQNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140624
s1c2c(CCC2)c(c1NC(=O)C(CCCOc1c(ccc(c1)C)C)(C)C)C(=O)OCC	PC-id_54783599	443.599	IYDOLZYJPAVDES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140625
s1c2c(CCC2)c(c1NC(=O)COc1c(C(C)(C)C)cc(C(C)(C)C)cc1)C(=O)OC	PC-id_17356499	443.599	HULHGLRUALAFAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140626
c1(CN(C2CCCC2)C(=O)Cc2ccc(cc2)S(=O)(=O)C(C)C)c2CCCc2n(C)n1	EMOLS-id_50145352,MCULE-3703371922,PC-id_86266592	443.602	LXVQKYXZNQKSJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140627
CCOC(=O)c1c(NC(=O)c2cccc(c2)CNCCN(CC)CC)sc2c1CCC2	PC-id_66637793,SCHEMBL266185	443.602	LJDFSZVTTBUZMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140628
COc1cc(OC)c(cc1C(=O)N1Cc2c(C1)cc(s2)CN1CCN(CC1)C)C(C)C	PC-id_141750772	443.602	XTJRIRXTXWOLGJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140629
CC1(c2c(CN1C(=O)N(C)c1ccccc1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195389,SCHEMBL20348515	443.605	ODTKMJFAKKFJGI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-140630
Cc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195434,SCHEMBL20348565	443.605	WWNJKIHJKHWXJT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-140631
Cc1ccc(cc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195457,SCHEMBL20348589	443.605	ZLHTYXBUDRZCNT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-140632
Cc1cc(ccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL20348598,PC-id_135195466	443.605	KEHWAPHSUORLAW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-140633
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)C1	CoCoCo_4239888,CoCoCo_4239887,PC-id_30626425,ZINC22_96126941	443.605	APAHUNSJKFSESO-IAGOWNOFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140634
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)C1	ZINC22_22789812,CoCoCo_4239885,CoCoCo_4239886,PC-id_30626417	443.605	APAHUNSJKFSESO-CALCHBBNSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140635
C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)C1	ZINC22_96126940,PC-id_30626420,CoCoCo_4239890,CoCoCo_4239889	443.605	APAHUNSJKFSESO-IRXDYDNUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140636
CCN(c1cc2=NC(=C(C34CCC(CC3N4)(C)C)N)C=c2s1)C(=O)CN1CCOCC1	PC-id_90077360	443.605	WOKNYJHDGICBOM-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-140637
N#Cc1c(NC(=O)CN2CCN(CC2)CC(=O)N2CC(C)CC(C2)C)sc2c1CCC2	EMOLS-id_43983580,MCULE-1049215452,PC-id_16336871	443.605	APAHUNSJKFSESO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140638
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(NC(=O)NC2CCCCC2)CC1)C#N	PC-id_56525996	443.605	OZCFZLRDRBKLON-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-140639
CN(/C=N/c1nn(c2c1CN(C2)C(=O)OCc1ccccc1)COCC[Si](C)(C)C)C	SCHEMBL1463647,PC-id_58201293	443.615	TXHJFKBVMJTPPB-XQNSMLJCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140640
c1(NC(=O)CSc2scc(c3ccc(SC)cc3)n2)sc2c(CCC2)c1C#N	MCULE-7475707000,EMOLS-id_324897381	443.628	FQHZSZGGLXZZLN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140641
CCCCN(c1ccc(s1)/C=c/1c2nnc(n2nc1C(C)(C)C)C(COC)(C)C)CC	SCHEMBL13237360,PC-id_59211537	443.648	IIOPRKPLZYXIBI-SDXDJHTJSA-N	00000000100100000001000010000000000000000000000000000000	25-01-140642
s1c(C=c2c(nn3c(nnc23)C(COC)(C)C)C(C)(C)C)ccc1N(CCCC)CC	PC-id_72531755	443.648	IIOPRKPLZYXIBI-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-140643
CC(C)(C)OC(=O)N1Cc2sc(C(=O)OCCl)c(I)c2C1	EMOLS-id_189875419,MCULE-6512433389	443.685	QZUGOPJDOBOZAT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140644
Clc1cc([N+](=O)[O-])c(Oc2c(OC)cc(C(=O)NCc3n4CCCc4nn3)cc2)cc1	PC-id_52547984	443.84	AWVWJYMUSCIJOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140645
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(F)c(F)c1	PC-id_3980862	443.849	RQONMQYSVQVOHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140646
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)Cl)sc2CCCc2c1C#N	MCULE-9618339835,EMOLS-id_333677045	443.864	NGJLMOMBZYMJNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140647
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333677303,MCULE-9525931482	443.864	OGRJTNYCXZKJNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140648
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6712002728	443.879	ZMTFXHSBTCOQGX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140649
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)Cl)n2)sc2c(CCC2)c1C(=O)OCC	TIMTEC61268,MCULE-4114599893,PC-id_16453712,CoCoCo_6286701,EMOLS-id_9879455,ZINC22_11914114	443.903	ASHUACSTJMGKDQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140650
c1(NC(=O)c2c(=O)ccn(c3cccc(Cl)c3)n2)sc2c(CCC2)c1C(=O)OCC	TIMTEC503370,CoCoCo_6285934,ZINC22_12111615,EMOLS-id_9880077,MCULE-6212461735,PC-id_16453255	443.903	VLFSRERBRKTZMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140651
CCOc1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)ccc1OC	EMOLS-id_324882953	443.903	DLTWVHGBBMIQIZ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140652
CCOc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)ccc1OC	EMOLS-id_324845309	443.903	GBBBMRSPHUYKOO-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140653
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1OC	EMOLS-id_324886025	443.903	UCWBRPLYVMWXCF-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140654
CCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_324844286	443.903	XATQWYZLJJWBJU-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140655
COc1ccc(CCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)cc1OC	EMOLS-id_324895744	443.903	LNOHKGVQAYWTJQ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140656
COc1ccc(OCCCc2nc3s/c(=Cc4cc(Cl)ccc4O)/c(=O)n3n2)cc1	EMOLS-id_324892167	443.903	JFGBZNMNZCMSOL-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140657
n12nc(nc1sc(=Cc1cc(ccc1O)Cl)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3229573197	443.903	LNOHKGVQAYWTJQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140658
n12nc(nc1sc(=Cc1cc(ccc1O)Cl)c2=O)CCCOc1ccc(OC)cc1	MCULE-3421784138	443.903	JFGBZNMNZCMSOL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140659
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1ccccc1Cl	MCULE-1416310556	443.903	UCWBRPLYVMWXCF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140660
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-4654398809	443.903	XATQWYZLJJWBJU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140661
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1ccccc1Cl	MCULE-4507100395	443.903	DLTWVHGBBMIQIZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140662
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-3023964474	443.903	GBBBMRSPHUYKOO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140663
c12NC(=O)C(CC(=O)Nc3c(OC)ccc(Cl)c3)n1nc(SCc1ccccc1)n2	PC-id_17599560,MCULE-8366201402,EMOLS-id_17105779,STOCK6S-50683	443.907	MTNJPPXZLVWLOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140664
COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn12	PC-id_25865822,ZINC22_13720643	443.907	MTNJPPXZLVWLOU-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140665
COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(SCc3ccccc3)nn12	ZINC22_13720640,PC-id_25865819	443.907	MTNJPPXZLVWLOU-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140666
Clc1ccc(CCNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)cc1	PC-id_16947310	443.922	AOYHYFNMMZAUBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140667
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C2C(CC=CC2)C(=O)[O-])cc1	PC-id_74552202	443.923	UEJWMNPFZLNAEQ-UHFFFAOYSA-M	00000010100011110000000010000000000000000000000000000000	25-01-140668
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)[C@@H]2[C@@H](CC=CC2)C(=O)[O-])cc1	PC-id_28250875	443.923	UEJWMNPFZLNAEQ-LSDHHAIUSA-M	00000010100011110000000010000000000000000000000000000000	25-01-140669
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)[C@@H]2[C@H](CC=CC2)C(=O)[O-])cc1	PC-id_28250878	443.923	UEJWMNPFZLNAEQ-GJZGRUSLSA-M	00000010100011110000000010000000000000000000000000000000	25-01-140670
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)[C@H]2[C@@H](CC=CC2)C(=O)[O-])cc1	PC-id_28250881	443.923	UEJWMNPFZLNAEQ-HUUCEWRRSA-M	00000010100011110000000010000000000000000000000000000000	25-01-140671
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)[C@H]2[C@H](CC=CC2)C(=O)[O-])cc1	PC-id_28250884	443.923	UEJWMNPFZLNAEQ-CABCVRRESA-M	00000010100011110000000010000000000000000000000000000000	25-01-140672
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CCC)n2)sc2c(CCC2)c1C(=O)OC	TIMTEC569855,CoCoCo_6210346,PC-id_16437969,MCULE-8978013170,EMOLS-id_9391637,ZINC22_16753854	443.925	YHJBVXBBXHSRBH-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-140673
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CC)n2)sc2c(CCC2)c1C(=O)OCC	PC-id_18880057,MCULE-2766877354	443.925	ANLKATNVCFJZJP-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-140674
Cc1csc2nc(C)c(/C=c/3sc4nc(COc5ccccc5Cl)nn4c3=O)n12	EMOLS-id_324883462	443.93	OMPUULJZZPMZPS-CHHVJCJISA-N	00000000100000110001000110000000000000000000000000000000	25-01-140675
Cc1csc2nc(C)c(/C=c/3sc4nc(COc5ccc(Cl)cc5)nn4c3=O)n12	EMOLS-id_324841723	443.93	CBRZYPNDXVRFJQ-CHHVJCJISA-N	00000000100000110001000110000000000000000000000000000000	25-01-140676
Cc1csc2nc(Cl)c(/C=c/3sc4nc(CCOc5ccccc5)nn4c3=O)n12	EMOLS-id_324846333	443.93	RQTLZTOSNRJHPE-ZROIWOOFSA-N	00000000100000110001000110000000000000000000000000000000	25-01-140677
Cc1csc2nc(Cl)c(/C=c/3sc4nc(COc5ccc(C)cc5)nn4c3=O)n12	EMOLS-id_324868613	443.93	XJWJUQDQVVIMBE-AUWJEWJLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-140678
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CCOc1ccccc1	MCULE-3556223612	443.93	RQTLZTOSNRJHPE-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-140679
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1ccc(cc1)C	MCULE-4627117863	443.93	XJWJUQDQVVIMBE-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-140680
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1ccccc1Cl	MCULE-7347158138	443.93	OMPUULJZZPMZPS-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-140681
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1ccc(Cl)cc1	MCULE-5530963641	443.93	CBRZYPNDXVRFJQ-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-140682
c1(NC(=O)c2cccc(c2)Cn2c(C)c(c(C)n2)Cl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2216837,ZINC22_1142573,CoCoCo_938606,TIMTEC549140,PC-id_1314970,MCULE-8780015983	443.946	XKKCZTGQSHDFKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140683
CN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1ccc(c2ccc(Cl)cc2)o1	CoCoCo_3850217,CoCoCo_3850218,PC-id_16385549,EMOLS-id_11855029,MCULE-3596190185,ZINC22_9375905	443.946	JGEJAJIEXPSCDE-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-140684
Clc1ccccc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324831987	443.948	JSHZHQUNLBAFSY-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140685
Clc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324830961	443.948	PPCUTVUSLYWOAY-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140686
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-5617559380	443.948	JSHZHQUNLBAFSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140687
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-8754365135	443.948	PPCUTVUSLYWOAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140688
CCc1nn2C(=O)C(Sc2n1)[C@H](c1ccco1)N1CCN(CC1)c1cc(ccc1)Cl	PC-id_134715959	443.95	JMDHWSAJTNJDEE-OYKVQYDMSA-N	00000010101010110001100010000000000000000000000000000000	25-01-140689
CCCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)N5CCC5)N	PC-id_154689239	444.244	MRISKJAVZWTTJZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-140710
CC1(c2c(CN1C(=O)NC1=C(CCC=C1Cl)C1CC1)c(n[nH]2)NC(=O)C1(CCC1)C)C	SCHEMBL20060526,PC-id_134426901	443.97	OLEKYMPTRTXWDC-UHFFFAOYSA-N	00101010100011000001100010000000000000000000000000000000	25-01-140690
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(SC)ccc2)cc1	PC-id_16947473	443.97	KXGDLQIEARFIOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140691
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(SC)cccc2)cc1	PC-id_16947416	443.97	OOCRZSFKMUJSRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140692
Clc1ccc(c2n(CC)c(SCC(=O)Nc3sc4CCCc4c3C#N)nn2)cc1	PC-id_16505693	443.973	CZAIUVANQYNVSL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140693
IC(=C1C(=O)c2c(C1=O)c(sc2C)C)I	SCHEMBL18950165	444.027	OKWCMWAKCGZTGJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140694
C1C2=C(CN1S(=O)(=O)CC3=CC=CC=C3)NN=C2C(CC(=O)C4=CC=CS4)C(=O)N	PC-id_153863911	444.093	DETKZYWDYADBCA-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-140695
CC1(COC1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)C#N)Cl	PC-id_154663314	444.1	PPKAFBHEIGBGTE-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-140696
C1C2=C(CN1C(=O)C3=CC=C(C=C3)C(F)(F)F)NN=C2NC(=O)C4=CC=C(C=C4)C(=O)O	PC-id_165180363	444.105	GACUQGQEFFIIMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140697
c12CN(Cc1sc(I)c2CBr)C(=O)OC(C)(C)C	EMOLS-id_331063334,MCULE-3222799380	444.126	HUZHHYPYJGFEDE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-140698
CC1CN2C(=C(C=N2)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N)O1	PC-id_165370464	444.162	SOJHGGBAXVYXCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140699
CC1COC2=C(C=NN12)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N	PC-id_165369772	444.162	YPEOAHZZMJYGKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140700
Brc1cc(CNC(c2n3CCCc3nn2)C)cc(Br)c1OCC	PC-id_75889818	444.164	PGZRYFSZHNSVRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140701
Brc1cc(CN[C@H](c2n3CCCc3nn2)C)cc(Br)c1OCC	PC-id_52641296	444.164	PGZRYFSZHNSVRZ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-140702
Brc1cc(CN[C@@H](c2n3CCCc3nn2)C)cc(Br)c1OCC	PC-id_52641297	444.164	PGZRYFSZHNSVRZ-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140703
CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CN(N=C3)C)CCC(=O)C4=NC5=C(S4)CCC5	PC-id_146730861	444.173	RHMJNTJXFXDPQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140704
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=N[NH-])C=N)C(=O)Nc1cccc(c1)C#N	PC-id_163944708	444.179	RUBWRNKJFMZNDW-UHFFFAOYSA-M	00100010100000110000000010000000000000000000000000000000	25-01-140705
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=C[NH3+])N)C(=O)Nc1cc(c(cc1)F)F	PC-id_163975635	444.184	STWBVSJFORFLFM-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-140706
CC1=C2CCC(C2=NN1)NC(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CCC(C5)(C)C#N)C	PC-id_153404028	444.239	ZNDMOUMUVALIIR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140707
CCOC(c1c(Nc2ccc(cc2F)I)n(c2c1CCC2=O)C)O	PC-id_145524216	444.239	VZKNVPPISITOJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140708
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)C5CCCN5)N	PC-id_154689233	444.244	HRTQIQVCDCIPFZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140709
CCN1C[C@@H](N(C[C@H]1C)C(=O)N2C3=C(CNC3(C)C)C(=N2)NC4=NC(=NC(=C4F)C)C)C	PC-id_153963294	444.276	KWWDUXAJRDWDCM-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140711
Brc1oc(C(=O)Nc2ccc(CC(=O)NCc3n4CCCc4nn3)cc2)cc1	PC-id_52650483	444.282	GEOITJXYFVOIET-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140712
Ic1ccc(c2oc(/C=N/c3sc4CCCc4c3C#N)cc2)cc1	PC-id_50886167	444.289	XIEIWANWOBWLMH-SSDVNMTOSA-N	00000010101000110000100010000000000000000000000000000000	25-01-140713
Ic1ccc(c2oc(C=Nc3sc4CCCc4c3C#N)cc2)cc1	PC-id_75574476	444.289	XIEIWANWOBWLMH-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-140714
COc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324837110	444.302	MFDGIKSFMOQWTR-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140715
COc1ccccc1OCc1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324869645	444.302	FBNMFNIQZMLDKR-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140716
COc1ccccc1OCc1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324872704	444.302	AZTVUAUDAAHQCW-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140717
COc1cccc(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)c1	EMOLS-id_324875776	444.302	SLUOMHMZGBNYJV-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140718
COc1cccc(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)c1	EMOLS-id_324874755	444.302	OZUJAOGSQONPNG-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140719
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1ccccc1OC	MCULE-7103382754	444.302	FBNMFNIQZMLDKR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140720
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1ccccc1OC	MCULE-2012916809	444.302	AZTVUAUDAAHQCW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140721
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1cccc(OC)c1	MCULE-5415802703	444.302	OZUJAOGSQONPNG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140722
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)COc1cccc(OC)c1	MCULE-6530328405	444.302	SLUOMHMZGBNYJV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140723
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)Cc1ccccc1	MCULE-1004343950	444.302	MFDGIKSFMOQWTR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140724
Clc1cc(Cn2c3c(C(CC3)C(=O)O)cc2C(=O)OCc2ccccc2)ccc1Cl	PC-id_9803503	444.307	KMUIZBHZYLBHQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140725
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccccc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL3485215,PC-id_24946953	444.314	YFIJPEXWTQLQIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140726
Brc1sc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_45630230	444.32	AHJIQBKUCBFVDY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-140727
Cc1ccc(CCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324908548	444.32	UILSUALAZOZUEX-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140728
Cc1ccc(CCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_324908544	444.32	DHICFIQQJSVDRU-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140729
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)CCc1ccc(cc1)C	MCULE-5148870150	444.32	UILSUALAZOZUEX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140730
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)CCc1ccc(cc1)C	MCULE-4057173942	444.32	DHICFIQQJSVDRU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-140731
COc1ccc(c(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Br	PC-id_92109292	444.322	LOFVPQROGGFIGI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140732
c1(NC(=S)NNC(=O)c2ccc(Br)o2)sc2c(CCC2)c1C(=O)OC	PC-id_4508438,TIMTEC503257,MCULE-7118522419,CoCoCo_6797556,EMOLS-id_4130892	444.323	VLCQNHGNPGKNRZ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-140733
Nc1nc2C(Cc3cccc(Br)c3)N(Cc2s1)C(=O)OCc1ccccc1	SCHEMBL16213297,EMOLS-id_56974259,PC-id_117680029,MCULE-2740010306	444.345	BIMBSBIUDQIXSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140734
C1CN(CCC1c1c(c(c(cc1)F)F)C(F)(F)F)C(=O)c1n[nH]c2c1CN(C2)C(=O)O	PC-id_134207832,SCHEMBL19812496	444.355	XDNMJASSFMADIZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140735
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4504711,ZINC22_16194608	444.355	LHXAQYPWYIBJHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140736
COc1c(Cl)cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1Cl	PC-id_17334285,ZINC22_57316368	444.355	AQJQVDRDYFGHTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140737
NC(=O)c1c(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCC2	PC-id_4505408,ZINC22_16385103	444.355	CBVFJZASBRXDEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140738
CCC(CCC(=O)OCC)n1c2c(C(SN2)I)sc1=S	PC-id_87476929,SCHEMBL3077508	444.375	QCMHKLQYBTVALH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140739
COCCn1nc2c(c1)CN(C2)C(=O)Nc1nc(ccc1[N+](=O)[O-])c1ccc(cc1F)F	PC-id_142402216	444.392	QWOLBIREDJQQSQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-140740
COCCn1ncc2c1CN(C2)C(=O)Nc1nc(ccc1[N+](=O)[O-])c1ccc(cc1F)F	PC-id_142402198	444.392	DYXDDWQCVQSUCN-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-140741
CCOC(=O)c1c(NC(=O)CSCc2c(Cl)cccc2Cl)sc2c1CCC2	ZINC22_408563452	444.395	AKORJDCKZLODPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140742
Clc1c(C(=O)NC(CCSC)C(=O)Nc2sc3CCCc3n2)ccc(Cl)c1	PC-id_75858926	444.398	XKMKGDZMROSLQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140743
Clc1c(C(=O)N[C@@H](CCSC)C(=O)Nc2sc3CCCc3n2)ccc(Cl)c1	PC-id_52492054	444.398	XKMKGDZMROSLQX-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140744
Clc1c(C(=O)N[C@H](CCSC)C(=O)Nc2sc3CCCc3n2)ccc(Cl)c1	PC-id_52492055	444.398	XKMKGDZMROSLQX-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140745
OC1CN(C1)C(=O)c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F	PC-id_24772345,SCHEMBL2162375	444.4	HJXBFSPEFLQVHO-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-140746
Brc1ccc(s1)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110048	444.409	ZZWCSSYSAAVYKE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-140747
c12CN(Cc1n(nc2C(=O)NCc1cccnc1)C)C(=O)Nc1ccccc1C(F)(F)F	EMOLS-id_207863285,MCULE-7768685716	444.41	MZEBPBBBZWMENU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-140748
FC(F)(F)c1cc(NC(=O)c2cc(NC(=O)NCc3n4CCCc4nn3)ccc2)ccc1	PC-id_60447900	444.41	UNGSQZXHVNKONO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140749
FC(F)(F)c1c(NC(=O)NCc2n3CCCc3nn2)ccc(NC(=O)c2ccccc2)c1	PC-id_52627126	444.41	DVDOFOJWKLFIIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140750
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3)C(F)(F)F)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322614370,MCULE-9771388012	444.43	DEPUCKIMTJRGFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140751
c1(NC(=O)c2c(=O)cc(n(c3cccc(c3)C(F)(F)F)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322615137,MCULE-8053999663	444.43	LHGTWWMYEFRNCA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140752
c1(NC(=O)c2c(=O)cc(n(c3ccccc3C(F)(F)F)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322818858,MCULE-4936683101	444.43	VBPLONQFKCMOTD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140753
C1C(Cc2c1nc(o2)C(=O)O)CC(=O)c1cc(ccc1)COc1cnc(cc1)c1ccn[nH]1	SCHEMBL20730303,PC-id_137487861	444.439	FLTSQJSZJIEMPQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-140754
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)N	PC-id_55424979	444.448	QQADJCCWHGATOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140755
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_45697783	444.458	WBEAVSNHZSUTGN-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140756
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_77672735	444.458	WBEAVSNHZSUTGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140757
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_24352865	444.458	CFWKQEKVTIRUHW-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140758
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_74263929	444.458	CFWKQEKVTIRUHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140759
Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117999668,SCHEMBL16624989	444.461	JAJCJWHVBYDHTO-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140760
Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19704660	444.461	JAJCJWHVBYDHTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140761
C[C@@]1(COc2cc(C)ccc2NS(=O)(=O)c2ccccc2)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_141722288	444.461	SQENZOQBDNBQGC-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140762
CN(S(=O)(=O)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccccc1	SCHEMBL16624997,PC-id_117999674	444.461	CISUARKXANYYJT-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140763
CN(S(=O)(=O)c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccccc1	SCHEMBL19704644	444.461	CISUARKXANYYJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140764
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(NC2CC2)cc1)C(=O)N	PC-id_27428747	444.461	LMMXNOSYUDZQNY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-140765
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N)cc1)C(=O)OC	PC-id_19659680	444.461	QCGODLKXLGBTPC-LSFURLLWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140766
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N)cc1)C(=O)OC	PC-id_73634162	444.461	QCGODLKXLGBTPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140767
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_4672111	444.461	GQMVTAFHLZHEFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140768
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_9681983	444.461	GQMVTAFHLZHEFT-SSDVNMTOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140769
c1(NC(=O)COc2nonc2C(=O)N2CCC(CC2)C(=O)N)sc2CCCc2c1C#N	MCULE-8774636657,EMOLS-id_333662923	444.464	BOBCZZGMJYMFRV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140770
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)C(=O)C)sc2CCCc2c1C#N	EMOLS-id_333661385,MCULE-1970144580	444.464	VROODGRGKNQNIF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140771
c1(NC(=O)c2ccc(c(F)c2F)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329003,MCULE-2545611133	444.469	DRPARFOSQSHGCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140772
CCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1=C)[nH]nc2NC(=O)c1ccc(cc1F)F	SCHEMBL18155646,PC-id_122626106	444.478	ZMABSLKFFRUBBM-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140773
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	CoCoCo_3156702,ZINC22_3367156,PC-id_2484862	444.479	YNTYKNIBRCQFJA-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140774
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_2484864,ZINC22_3367158,CoCoCo_3156703	444.479	YNTYKNIBRCQFJA-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140775
CCC1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(cc1)F	PC-id_4516540,MCULE-7369928037,EMOLS-id_3290472	444.479	YNTYKNIBRCQFJA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140776
COc1ccc(F)cc1S(=O)(=O)N[C@H]1Cc2cc(nn2C1)C(=O)NCc1ccccc1	MCULE-9656648374,EMOLS-id_316333879	444.479	UALXBRYNRHMQAE-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140777
O(C1C(OCc2ccccc2)c2[n+](onc2C1OCc1ccccc1)[O-])Cc1ccccc1	PC-id_85226689	444.479	VEUHSKBJVYJAOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140778
O([C@@H]1[C@@H](OCc2ccccc2)c2[n+](onc2[C@H]1OCc1ccccc1)[O-])Cc1ccccc1	PC-id_10670955	444.479	VEUHSKBJVYJAOE-ZNZIZOMTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140779
[O-][n+]1onc2c1[C@@H](OCc1ccccc1)[C@@H]([C@H]2OCc1ccccc1)OCc1ccccc1	PC-id_102505311	444.479	VEUHSKBJVYJAOE-JIMJEQGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140780
S(=O)(=O)(NC1Cc2n(nc(C(=O)NCc3ccccc3)c2)C1)c1c(OC)ccc(F)c1	MCULE-2655376796	444.479	UALXBRYNRHMQAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140781
CCOC(=O)n1nc2c(c1NC(=O)OCc1ccccc1)CN(C2C)C(=O)OC(C)(C)C	PC-id_142739755	444.481	AALPHHBZXSSHEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140782
C=CC(=O)NCc1ccc(C(=O)Nc2nc3n(c2C(=O)c2ccc(OC)cc2)CCC3)cc1	ZINC22_782602452	444.482	ZVQLHQCBMOIBHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140783
COc1ccc(CCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324890639	444.484	UKRYCTAAYIYOBL-GDNBJRDFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-140784
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(s4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324891142	444.484	KVVSABHCTQHQTE-PTNGSMBKSA-N	00000000100100110001000010000000000000000000000000000000	25-01-140785
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-1452862750	444.484	UKRYCTAAYIYOBL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-140786
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCCOc1ccc(OC)cc1	MCULE-7317415824	444.484	KVVSABHCTQHQTE-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-140787
N#Cc1c(NC(=O)COC(=O)CCn2nc(c3cccs3)oc2=O)sc2c1CCC2	ZINC22_21738613,PC-id_24522582,MCULE-2522203586,CoCoCo_4309581,EMOLS-id_29680243	444.484	HKSWMBUQIRCWSB-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-140788
s1c2CCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2)cc1	PC-id_33040861	444.484	YNSDNMSIDNAQCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140789
Cn1cnnc1Sc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1[N+](=O)[O-]	EMOLS-id_15239234,MCULE-7317843110,ZINC22_3455941,CoCoCo_3218648,PC-id_2576331	444.487	LJPBQJBENIFOSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140790
n1(nc(c2N=NC(=NNc3c(n(nc3C#Cc3ccccc3)C)C)c12)C#Cc1ccccc1)C	PC-id_10765710	444.491	UGSHYQMYVYCFIR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-140791
NC(=O)c1c(sc2c1CCC2)Nc1nc(NCCCn2cc[nH+]c2)nc(c1[N+](=O)[O-])N	GD-id_ZINC41301880	444.491	NNNXYXVQTLAIFA-UHFFFAOYSA-O	00000010100000100001000010000000000000000000000000000000	25-01-140792
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	PC-id_16319494,CoCoCo_3309973,ZINC22_8898056,MCULE-1072347033,EMOLS-id_3616725	444.491	XBMKGWLSBCRNBQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140793
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	PC-id_16357873,CoCoCo_3309525,MCULE-6394412044,ZINC22_9909849,EMOLS-id_11802382	444.491	WMWYTVOTBULJHH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140794
s1c2c(CCC2)c(c1Nc1nc(NCCC[n+]2c[nH]cc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127512	444.491	LAJJNLMFKBZOTN-UHFFFAOYSA-O	00000010100000100001000010000000000000000000000000000000	25-01-140795
Fc1ccc(NC2CN(CC2c2ccccc2)S(=O)(=O)c2cnc3CCCn23)cc1F	BindingDB_PC-id_90405252,SCHEMBL16031414,PC-id_90405252,BindingDB-id_592478	444.497	NZUABDILPNXULM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140796
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(c2ccc(F)cc2)cc1)C(=O)N	PC-id_24456262	444.499	UMSFRSVSWLNVGI-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-140797
CCOc1ccc(cc1)N/C=CC(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC	PC-id_143287647	444.501	PFHCRCYKWJBPQJ-QXMHVHEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140798
COc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2csc(c2C1=O)N)OC1CCCC1	PC-id_89617335,SCHEMBL15015451	444.501	UYBOGUXIJFPYKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140799
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(OC)c(OCC=C)cc1)C)C(=O)N	PC-id_33258951	444.501	JOGQEHYYNDTUQQ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140800
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(OC)c(OCC=C)cc1)C)C(=O)N	PC-id_33258957	444.501	JOGQEHYYNDTUQQ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140801
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCOc1ccc(cc1)C(=O)C)C)C(=O)N	PC-id_31658254	444.501	LMFNNAQKYSISIH-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140802
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCOc1ccc(cc1)C(=O)C)C)C(=O)N	PC-id_31658258	444.501	LMFNNAQKYSISIH-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140803
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCC2OCCC2)cc1)C(=O)N	PC-id_3261498	444.501	HANIJCHVRPAKQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140804
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OC[C@H]2OCCC2)cc1)C(=O)N	PC-id_29183740	444.501	HANIJCHVRPAKQO-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140805
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OC[C@@H]2OCCC2)cc1)C(=O)N	PC-id_29183741	444.501	HANIJCHVRPAKQO-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140806
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(OC)c(OCC=C)cc1)C)C(=O)N	PC-id_74632032	444.501	JOGQEHYYNDTUQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140807
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OCC)cc1)C(=O)N	PC-id_45656203	444.501	WPXPJNOITDRPNN-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140808
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OCC)cc1)C(=O)N	PC-id_77669246	444.501	WPXPJNOITDRPNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140809
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(OCC)cc1)C(=O)N	PC-id_45626007	444.501	FHULJQKXXDYLKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140810
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCOc1ccc(cc1)C(=O)C)C)C(=O)N	PC-id_74617366	444.501	LMFNNAQKYSISIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140811
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C)C(=O)OCC	PC-id_55928596	444.501	SEWBDIJSTVLZLT-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140812
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(cc(c1)C)C)C(=O)OC	PC-id_45693451	444.501	VYRRFONMZMUQES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140813
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccccc1)C)C(=O)OCC	PC-id_45615913	444.501	SEWBDIJSTVLZLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140814
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_45699321	444.501	IZCTZDNXQNPLQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140815
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)Cc1ccccc1)C(=O)OCC	PC-id_29940663	444.501	UBVVUJQVSQYECM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140816
c1(c2CCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)Oc1ccccc1	EMOLS-id_2207739,MCULE-9104099788,CoCoCo_918587,PC-id_2185681,ZINC22_2826585	444.502	FGQNFFVVSBEIBX-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-140817
C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)o1	CoCoCo_3087633,PC-id_25651696,ZINC22_12987641	444.502	KPCZILPUHDVXFM-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-140818
C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)o1	CoCoCo_3087634,ZINC22_12987637,PC-id_25651694	444.502	KPCZILPUHDVXFM-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140819
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1F)N1CCN(CC1)C)CNC2(C)C	SCHEMBL4291472,PC-id_57703857	444.502	GJMXOQSGIYYQQH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140820
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(c(c1)F)N1CCN(CC1)C	SCHEMBL4282010,PC-id_57703858	444.502	LEZIUABMQMLVNZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140821
N#Cc1c(NC(=O)CSc2nnc(o2)C(Oc2ccc(cc2)F)C)sc2c1CCC2	PC-id_42902611,MCULE-6628578629,EMOLS-id_16685754	444.502	KPCZILPUHDVXFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140822
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(C(=O)c2ccc(cc2)C)cccc1)C#N	PC-id_24350640	444.502	XEFNLEKCDMSPEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140823
c1(NC(=O)CCCc2onc(c3cc(OC)c(c(OC)c3)OC)n2)sc2c(CCC2)n1	MCULE-8060724011,EMOLS-id_323382147	444.504	JKAHQAHOVRFSTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140824
c1(NC(=O)COc2cccnc2NC(=O)OCCOCCC)sc2c(CCC2)c1C#N	EMOLS-id_321796134,MCULE-4227788867	444.504	IMFYWPUFTXJDKV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140825
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCO)sc2CCCc2c1C#N	MCULE-4310367015,EMOLS-id_331931421	444.504	JPZWDSWCVRFEAT-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-140826
COc1ccc(cc1OC)CCN1C(=O)N[C@H](C1=O)CC(=O)Nc1sc2c(n1)CCC2	EMOLS-id_50230748,STOCK7S-49898,ZINC22_170625575,MCULE-7306442211	444.504	NXUXLRQRKFVTBP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140827
COc1ccc(cc1OC)CN1C(=O)N[C@H](C1=O)CCC(=O)Nc1sc2c(n1)CCC2	PC-id_75490182,MCULE-4514182224,STOCK7S-47118,ZINC22_96231859,EMOLS-id_49248672	444.504	YBBXETIVGHYIGF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140828
COc1ccc(CCN2C(=NC(CC(=O)Nc3nc4CCCc4s3)C2=O)O)cc1OC	EMOLS-id_54878907,PC-id_91640137,MCULE-4093050573,EMOLS-id_301138638	444.504	NXUXLRQRKFVTBP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-140829
COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3nc4c(s3)CCC4)N=C2O)cc1OC	ZINC22_252539258	444.504	NXUXLRQRKFVTBP-CQSZACIVSA-N	00000011100000110001000010000000000000000000000000000000	25-01-140830
COc1ccc(CN2C(=NC(CCC(=O)/N=c/3[nH]c4CCCc4s3)C2=O)O)cc1OC	PC-id_75357094,EMOLS-id_50400714,MCULE-2679778452	444.504	YBBXETIVGHYIGF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-140831
COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1OC	ZINC22_206253978,PC-id_99871430	444.504	YBBXETIVGHYIGF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140832
COC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109659	444.504	WTRIWKVLUSCPHG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140833
NC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109670	444.504	PFEQRQCRVJGQOO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-140834
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_22198539	444.504	ITKQEUFASMXCSM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140835
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC(=O)NC(C)C)cccc1)C(=O)N	PC-id_46610272	444.504	WXTRMPDZSAFKFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140836
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_49709415	444.504	XGTBAAISDRNRQJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140837
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1c(OC)cccc1)C(=O)OCC	PC-id_49709734	444.504	NHVBGGUZEUOBJE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140838
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1c(cccc1)C(=O)OC	PC-id_44053214	444.504	HZNJRNMDFSWLPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140839
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C#N	MCULE-4173278284	444.506	PVMZWXOQXKZJTN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-140840
O=C(COc1cccnc1NC(=O)/C=C/c1ccccc1)Nc1sc2CCCc2c1C#N	EMOLS-id_321804926	444.506	PVMZWXOQXKZJTN-VAWYXSNFSA-N	00000010100000111000000010000000000000000000000000000000	25-01-140841
O=C(N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)Oc1ccccc1)Cc1cccs1	PC-id_10275288,SCHEMBL2917872	444.506	AXRQUEYNJQCKOV-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-140842
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)CC)sc2CCCc2c1C#N	EMOLS-id_333690664,MCULE-1982709424	444.507	OPJJUNRTQPUYPO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140843
c1(NC(=O)COc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_5245054,MCULE-8831199947	444.727	QOSFJHIULLCYFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141012
c1(NC(=O)COc2nonc2C(=O)N2CCC(CC2)N(C)C)sc2CCCc2c1C#N	EMOLS-id_333660619,MCULE-2333649632	444.507	CXYVBDHBXUKMPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140844
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CCCOCC(F)(F)F)C#N	PC-id_56526003	444.514	DIYNQWYUBWRDKO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140845
c1(NC(=O)CCC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333355,MCULE-4483817702	444.519	FGLKIGAAROCEDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140846
CC(=O)c1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)c(F)c1	ZINC22_35392824,CoCoCo_4235463,CoCoCo_4235464,MCULE-5742270912,PC-id_16336870,EMOLS-id_11777315	444.522	XSYACDCJCLCPKE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140847
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)c1c(F)cccc1)C)C(=O)N	PC-id_24659784	444.522	GOOPEZBAWMMFMQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140848
COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(s3)CCC4)c2)cc1	PC-id_5099227,MCULE-7287085210,EMOLS-id_2984526,ZINC22_9139333,CoCoCo_3758293	444.524	FPOABFOIQGRQHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140849
s1c2CCCc2cc1C(=O)OCC(=O)Nc1scc(n1)c1c(OC)ccc(OC)c1	PC-id_45637911	444.524	LGFJQCORXGOJBM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140850
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)N(Cc1sccc1)C	PC-id_29437873	444.524	BISHLMJGVBIRII-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-140851
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)NC(=O)C)sc2c(CCC2)c1C#N	MCULE-6895474947,EMOLS-id_320722010	444.527	FYWOZFKSJIEMCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140852
Cc1cccc(OCc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)o2)c1	PC-id_17553775,EMOLS-id_48945466,MCULE-2927302328,CoCoCo_3636351,ZINC22_8920822	444.527	WHRXWFRTTHVQDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140853
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH+]1CCN(CC1)c1ccccc1[N+](=O)[O-]	GD-id_ZINC14924011	444.527	WBVUWVHLGJOATG-ZDUSSCGKSA-O	00000010100010110001100010000000000000000000000000000000	25-01-140854
COc1ccc(Cc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)o2)cc1	EMOLS-id_11917195,CoCoCo_2895559,ZINC22_9155622,MCULE-7608061702,PC-id_17549821	444.527	MLRBPTXNPRMCAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140855
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C)CCC(=O)c1cccs1	SCHEMBL2916019,PC-id_68439812	444.527	SQCQLWJSUOYNQR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-140856
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)CCC(=O)c1cccs1	PC-id_141251753	444.527	JZLCRISDGZRKJU-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-140857
O=C(Nc1n[nH]c2c1CNC2S(=O)(=O)c1cccc(c1)C)CCC(=O)c1cccs1	PC-id_68442834,SCHEMBL2924465	444.527	YYDOYYVTNDWGSO-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-140858
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1)CCC(=O)c1cccs1	PC-id_68439815,SCHEMBL2916022	444.527	NLQORGSESUCNJI-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-140859
O=C(OC1CCn2c1ncc2)NCCCCCCCCNC(=O)OC1CCn2c1ncc2	SCHEMBL19220286	444.527	HWJDBTUJZVMFRX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140860
O=C(OC1CCn2c1ncc2)NCCCCCCCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220268	444.527	HWJDBTUJZVMFRX-QNSVNVJESA-N	00000010100000000001000010000000000000000000000000000000	25-01-140861
O=C(O[C@@H]1CCn2c1ncc2)NCCCCCCCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220306	444.527	HWJDBTUJZVMFRX-QZTJIDSGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-140862
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1c([N+](=O)[O-])cccc1)C)C(=O)N	PC-id_49829107	444.527	WBVUWVHLGJOATG-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-140863
s1c2c(CCC2)c(c1NC(=O)CSc1nc(c(cc1C#N)C(=O)OCC)C)C(=O)N	PC-id_27506920	444.527	XYYPXKVHIOXXQV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140864
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1ccc(OC)cc1)C(=O)OC	PC-id_24369935	444.527	DSWOICXGNZUSDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140865
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)CC=C)C(=O)OC	PC-id_19724263	444.527	KVYHWKZHHJQGOS-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-140866
s1c2c(CCC2)c(c1NC(=O)C(Sc1oc(nn1)c1cccnc1)C)C(=O)OCC	PC-id_44008178	444.527	UOHLMWKTMFZJJO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140867
s1c2c(CCC2)c(c1NC(=O)C(Sc1oc(nn1)c1ccncc1)C)C(=O)OCC	PC-id_44005977	444.527	OGHHWNLHXWTVMW-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140868
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1scc(n1)C	PC-id_16948084	444.527	ATZCKYYRASCKBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140869
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3ccccc3)C4)cc2)CC1	CHEMBL190252,BindingDB_PC-id_11305344,BindingDB-id_21835,PC-id_11305344,SCHEMBL2918892	444.529	LZTPJGBYVKLMTF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140870
CN1CCN(CC1)c1ccccc1C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Cc1ccccc1	PC-id_68884394,SCHEMBL4031393	444.529	UKIAFQGPAWSWSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140871
CN1CCN(CC1)c1ccc(cc1)C(=O)Nn1c2c(CN(C2)C(=O)Cc2ccccc2)cn1	PC-id_91059264	444.529	TYNYBEMOLYMHFG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140872
CCOc1ccccc1n1nnnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_13141019,CoCoCo_3015569,PC-id_3687830,MCULE-2727902009,EMOLS-id_3449591	444.53	ITIXKPLHGOXTAJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140873
COc1ccc(C)cc1n1nnnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9396698,MCULE-9181953553,PC-id_3390110,EMOLS-id_43753085,CoCoCo_3005303	444.53	HYGHTIBHHMKTDO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140874
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(OC)cc1)C(=O)N	PC-id_27326973	444.53	YIFWJSWJVFZRIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140875
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1c(OC)cccc1)C(=O)N	PC-id_27300697	444.53	CYFNPARISLPTKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140876
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)Cc1ccc(OC)cc1)C(=O)N	PC-id_27091886	444.53	RMXDRLOGLQJJPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140877
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1csc(n1)Nc1nc(cc(n1)C)C	PC-id_90506278	444.531	HQADIGMTQNHEAJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-140878
s1c2c(CCC2)c(c1NC(=O)CCSc1n(N)c(nn1)c1cccnc1)C(=O)OC	PC-id_17047433	444.531	PJKBVCSHKCBBNG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140879
s1c2c(CCC2)c(c1NC(=O)CCSc1n(N)c(nn1)c1ccncc1)C(=O)OC	PC-id_17047548	444.531	VZJVTVQVFONYKD-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-140880
CC(=O)N1Cc2c(C1)[nH]nc2Nc1nc(nc(c1)N1CCN(CC1)C)C=Cc1ccccc1	PC-id_90993308	444.532	PDXFWXVDYZKCQK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140881
CN1CCN(CC1)c1cc(nc(n1)/C=C/c1ccccc1)Nc1n[nH]c2c1CN(C2)C(=O)C	PC-id_57757814,SCHEMBL10122889	444.532	PDXFWXVDYZKCQK-CMDGGOBGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-140882
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334123,MCULE-8038558493	444.544	XWTMDYKSIHEBCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140883
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5824247634	444.544	IQEZCDNCUGSZMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140884
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7049699836	444.544	FXDLJOXYSVUXER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140885
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8087576478	444.544	YXJJQHQBADYWFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140886
c1(NC(=O)COc2ccccc2OCC=C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385945,MCULE-1889728837	444.544	YFDHAMAJIGBOLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140887
c1(NC(=O)COc2ccccc2OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1025137594,EMOLS-id_334333097	444.544	WXULJBGEQWCWAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140888
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4590150316,EMOLS-id_334333101	444.544	AUFUFZZQFORLND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140889
CC(C)c1cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(O)c(C(C)C)c1	EMOLS-id_43788211,CoCoCo_3131183,ZINC22_14167733,PC-id_5203670,MCULE-6849569403	444.544	NZYYQYADKGFODT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140890
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2CCCc12	EMOLS-id_334388245	444.544	IQEZCDNCUGSZMH-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140891
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2CCCc12	EMOLS-id_334385174	444.544	FXDLJOXYSVUXER-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140892
COCCCNC(=O)c1c(NC(=O)/C=C/c2cc(OC)ccc2OC)sc2CCCc12	EMOLS-id_334385950	444.544	YXJJQHQBADYWFU-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140893
O=C(COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)NC1CCCCCCC1	CoCoCo_2889331,MCULE-2335916937,EMOLS-id_24975100,ZINC22_10936829,PC-id_41733955	444.544	HGQUWKCVAGTUNC-UHFFFAOYSA-N	00000010101000000100000010000000000000000000000000000000	25-01-140894
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N(Cc1occc1)C	PC-id_45663373	444.544	URNGUIUMCQESGB-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-140895
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(C(=O)N1C(CCCC1)CC)C	PC-id_42982390	444.544	KOBGDHCSNOGDTQ-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-140896
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(C(=O)NC1C(CCCC1)C)C	PC-id_42982166	444.544	KYENLVAGFAETKC-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-140897
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)COc1c(C(C)C)ccc(c1)C)C)C(=O)N	PC-id_24495448	444.544	MEYPLKYBTWEWOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140898
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)COc1ccc(C(C)(C)C)cc1)C)C(=O)N	PC-id_24495666	444.544	RLXAMDNFZSFMLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140899
c1(NC(=O)c2ccc(cc2)OC(C)C)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053138,MCULE-6122400166,EMOLS-id_24913379	444.547	INHRHDSFMCOAGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140900
c1(NC(=O)C2CC(=O)N(c3ccc(c(C)c3)C)C2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBL1874882,PC-id_18562028,MCULE-1853247759,EMOLS-id_5531023,CHEMBL1874882	444.547	RHOMFDRMFMJQPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140901
c1(NC(=O)Cc2ccc(cc2)OCC)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053183,EMOLS-id_24913393,MCULE-1415769230	444.547	IHHXRZGHOLJPGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140902
c1(NC(=O)CCc2ccc(cc2)OC)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913397,PC-id_44053201,MCULE-1439885641	444.547	OCLGIHCBQJUXRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140903
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCO)sc2CCCc2c1C#N	EMOLS-id_331931166,MCULE-1217029680	444.547	KAZFWTDQLSAKOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140904
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCOC)sc2CCCc2c1C#N	MCULE-2491906787,EMOLS-id_331921436	444.547	YUDLMAZNVRJIIC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140905
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CC)sc2CCCc2c1C#N	MCULE-1755597709,EMOLS-id_331925271	444.547	WSWBPTJJRWDRFL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140906
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCC)sc2CCCc2c1C#N	MCULE-6891656316,EMOLS-id_331921683	444.547	ZMXXQAQTXWZOEA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-140907
Cc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1C	CoCoCo_5065662,ZINC22_9517996,PC-id_41106010	444.547	RHOMFDRMFMJQPH-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140908
Cc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1C	CoCoCo_5065663,PC-id_41106011,ZINC22_9517997	444.547	RHOMFDRMFMJQPH-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140909
CC(CN(Cc1cccc(c1)C(=O)Nc1c(c2c(s1)CCC2=CO)N=N)CC(C)O)O	PC-id_136347670	444.547	IHEFABOTYYNRRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140910
CC(CN(Cc1cccc(c1)C(=O)Nc1c(c2c(s1)CCC2=C=O)NN)CC(C)O)O	PC-id_87086176,SCHEMBL267716	444.547	ZYIXTYGQOVMWPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140911
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1	CoCoCo_5277662,ZINC22_23139205,PC-id_30862500	444.547	INHRHDSFMCOAGI-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140912
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1	ZINC22_23139209,CoCoCo_5277663,PC-id_30862505	444.547	INHRHDSFMCOAGI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140913
CCOc1ccc(CC(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1	CoCoCo_5277679,ZINC22_23139251,PC-id_30862537	444.547	IHHXRZGHOLJPGW-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140914
CCOc1ccc(CC(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1	ZINC22_23139255,PC-id_30862540,CoCoCo_5277678	444.547	IHHXRZGHOLJPGW-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140915
CCOCc1cn2c(n1)SC(C2)/C=C/C(=O)Nc1ccccc1NC(=O)OC(C)(C)C	PC-id_68349200,SCHEMBL12681713	444.547	NLNZIIWHJIUZAP-ZHACJKMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140916
COc1ccc(CCC(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1	CoCoCo_5277682,PC-id_30862548,ZINC22_23139264	444.547	OCLGIHCBQJUXRY-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140917
COc1ccc(CCC(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1	PC-id_30862551,ZINC22_23139267,CoCoCo_5277683	444.547	OCLGIHCBQJUXRY-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140918
O=C(NCCCn1ccc(O)nc1=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	ZINC22_2325861366	444.547	NVCALWNOFUQHNT-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140919
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1n(nc(c1)C)C	PC-id_55467825	444.547	ZAJRGNQDDXPAHX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140920
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(n2c(ccc2)C(=O)OC)CC1)C)C(=O)N	PC-id_56381891	444.547	IITJVENBTYRAIZ-UHFFFAOYSA-N	00000010110010000000100010000000000000000000000000000000	25-01-140921
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(NC(=O)c2occc2C)CC1)C)C(=O)N	PC-id_56277667	444.547	XVFKBKUNJHPQFO-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-140922
s1c2c(CCC2)c(c1NC(=O)C(N(CC)CC(=O)Nc1ccc(OC)cc1)C)C(=O)N	PC-id_24507449	444.547	HCNNPTAHDKQSIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140923
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)Cc1ccccc1)C(=O)O	PC-id_14124320	444.547	MTVCBLSHMSSXFQ-UHFFFAOYSA-O	00001011100000110001001010000000000000000000000000000000	25-01-140924
S1C(Cn2c1nc(c2)COCC)C=CC(=O)Nc1c(NC(=O)OC(C)(C)C)cccc1	PC-id_77487415	444.547	NLNZIIWHJIUZAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140925
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1CCn2c1c[n+](c2)Cc1ccccc1)C(=O)O	PC-id_10478590	444.547	MTVCBLSHMSSXFQ-OVMZWLKVSA-O	00001011100000110001001010000000000000000000000000000000	25-01-140926
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)Cc1ccccc1)C(=O)O	PC-id_57226255	444.547	MTVCBLSHMSSXFQ-XMOKUSPMSA-O	00001011100000110001001010000000000000000000000000000000	25-01-140927
Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	EMOLS-id_43905226,ZINC22_9209235,PC-id_16339121,MCULE-2452427368,CoCoCo_3846108	444.549	CWTQQBSGQXWUOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140928
CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	MCULE-2534031426,EMOLS-id_11980358,PC-id_17428232,CoCoCo_3846509,ZINC22_8720559	444.549	PJYIXDXEXCIEPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140929
CCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)N(C[C@@H]1C)C)F	PC-id_25155748,SCHEMBL2883394	444.549	CUIKRBMBZGRFEG-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140930
CCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCNC(C1(C)C)(C)C)F	SCHEMBL19096897	444.549	SWJUCTCMXGYAEI-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140931
CCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NCC1(C)C[C@H](CN1C)C)F	SCHEMBL19200903	444.549	CSPIXNBSRDHSML-BXWDTWGJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-140932
CCCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)NC[C@@H]1C)F	PC-id_68164455,SCHEMBL11913293	444.549	YYJRDEGZFGUWPE-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140933
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc(c1F)C	PC-id_59333954,SCHEMBL3327604	444.549	VCHOVWCDYSPKBD-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140934
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2CC(NCC2C)(C)C)(C)C)nc(nc1)CCC	PC-id_77457834	444.549	YYJRDEGZFGUWPE-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140935
N#Cc1c(NC(=O)CNc2ccccc2C(=O)NCCc2ccccc2)sc2c1CCC2	ZINC22_12556306,EMOLS-id_16700588,CoCoCo_2855407,PC-id_25355984,MCULE-9727075524	444.549	CWUDYTCWFYPJGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140936
c1(NC(=O)Cc2csc(n2)NS(=O)(=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_182618792,PC-id_108802034,MCULE-6234223225	444.55	ITLMBNLASRAGAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140937
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1nc(N(C)C)nc(n1)N	PC-id_25305707	444.55	XCNVKVFCRPVDPG-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-140938
Cn1ncc(c1)Nc1nccc(n1)c1ccc(c(c1)C)CNC(=O)c1sc2c(c1)CCC2	PC-id_144863186	444.552	LXKBVAAJTBFADA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140939
CCCCCCOC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328221300,MCULE-9378157795	444.565	NGQPHTKZZAWXGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140940
COc1ccccc1C1(CNC(=O)c2cc3CCCc3n2Cc2ccccc2)CCOCC1	EMOLS-id_328217968,MCULE-6170796227	444.565	IGKDQHXEAIXKLD-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-140941
S1Cc2c(NC(=O)CCC3CCCCC3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053666	444.565	ZJXGGMARWOBUAL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140942
COc1ccc(c(c1)[C@@H]1CCC[N@@H+]1[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)OC	PC-id_25732069,GD-id_ZINC13165182	444.567	CKFNCTQNTBZRJH-GUYCJALGSA-O	00000010100000110000100010000000000000000000000000000000	25-01-140943
COc1ccc(c(c1)OC)[C@H]1CCC[N@@H+]1[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC08723698,PC-id_40797059	444.567	ODSFLUYBWVYFPU-CXAGYDPISA-O	00000010100000110000100010000000000000000000000000000000	25-01-140944
OC(C[NH+]1CCC(CC1)C(=O)OC)COc1ccc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_74809243	444.567	JNCVODODFIYHNG-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-140945
O[C@H](C[NH+]1CCC(CC1)C(=O)OC)COc1ccc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42510751	444.567	JNCVODODFIYHNG-LJQANCHMSA-P	00000010100010110001000010000000000000000000000000000000	25-01-140946
O[C@@H](C[NH+]1CCC(CC1)C(=O)OC)COc1ccc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42510753	444.567	JNCVODODFIYHNG-IBGZPJMESA-P	00000010100010110001000010000000000000000000000000000000	25-01-140947
s1c2c(CCC2)c(c1NC(=O)CNc1c([NH+]2CCC(O)CC2)cccc1)C(=O)OCC	PC-id_52704913	444.567	SABANRDGKWRSNK-UHFFFAOYSA-O	00000010100010110000100010000000000000000000000000000000	25-01-140948
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(OCC)cccc1)C(=O)OC	PC-id_40943019	444.567	GNTDPYOSFXNZRK-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-140949
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC1OCCC1)C(=O)Nc1ccc(OCC)cc1	PC-id_74516943	444.567	LYBZPSUHESOXIC-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140950
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC1OCCC1)C(=O)Nc1c(OCC)cccc1	PC-id_74511264	444.567	HIQPRIVVLTWHAK-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140951
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C[C@H]1OCCC1)C(=O)Nc1ccc(OCC)cc1	PC-id_27003183	444.567	LYBZPSUHESOXIC-KRWDZBQOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140952
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C[C@@H]1OCCC1)C(=O)Nc1ccc(OCC)cc1	PC-id_27003188	444.567	LYBZPSUHESOXIC-QGZVFWFLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140953
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C[C@H]1OCCC1)C(=O)Nc1c(OCC)cccc1	PC-id_26864326	444.567	HIQPRIVVLTWHAK-HNNXBMFYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140954
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C[C@@H]1OCCC1)C(=O)Nc1c(OCC)cccc1	PC-id_26864328	444.567	HIQPRIVVLTWHAK-OAHLLOKOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140955
s1c2c(CCC2)c(c1NC(=O)C[NH+](CC(=O)Nc1c(cccc1C)C)C)C(=O)OCC	PC-id_2518427	444.567	YYTNDYUYRNIBIH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-140956
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1ccc(OCC)cc1)C(=O)OCC	PC-id_17227374	444.567	IRQXFEQJRZHIIL-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140957
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1ccc(OCC)cc1)C(=O)OCC	PC-id_73375674	444.567	IRQXFEQJRZHIIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140958
s1c(NC(=O)[C@@H]([NH+]2[C@H](CCC2)c2c(OC)ccc(OC)c2)C)c(c2c1CCC2)C(=O)N	PC-id_41060497	444.567	CKFNCTQNTBZRJH-SUMWQHHRSA-O	00000010100000110000100010000000000000000000000000000000	25-01-140959
s1c(NC(=O)[C@H]([NH+]2[C@H](CCC2)c2c(OC)ccc(OC)c2)C)c(c2c1CCC2)C(=O)N	PC-id_41060501	444.567	CKFNCTQNTBZRJH-CXAGYDPISA-O	00000010100000110000100010000000000000000000000000000000	25-01-140960
s1c(NC(=O)[C@@H]([NH+]2[C@@H](CCC2)c2c(OC)cc(OC)cc2)C)c(c2c1CCC2)C(=O)N	PC-id_25935781	444.567	ODSFLUYBWVYFPU-GUYCJALGSA-O	00000010100000110000100010000000000000000000000000000000	25-01-140961
s1c(NC(=O)[C@@H]([NH+]2[C@H](CCC2)c2c(OC)cc(OC)cc2)C)c(c2c1CCC2)C(=O)N	PC-id_40797057	444.567	ODSFLUYBWVYFPU-SUMWQHHRSA-O	00000010100000110000100010000000000000000000000000000000	25-01-140962
s1c(NC(=O)[C@H]([NH+]2[C@@H](CCC2)c2c(OC)cc(OC)cc2)C)c(c2c1CCC2)C(=O)N	PC-id_51723677	444.567	ODSFLUYBWVYFPU-DYVFJYSZSA-O	00000010100000110000100010000000000000000000000000000000	25-01-140963
s1c(NC(=O)C([NH+]2C(CCC2)c2c(OC)ccc(OC)c2)C)c(c2c1CCC2)C(=O)N	PC-id_74471901	444.567	CKFNCTQNTBZRJH-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-140964
s1c(NC(=O)C([NH+]2C(CCC2)c2c(OC)cc(OC)cc2)C)c(c2c1CCC2)C(=O)N	PC-id_74485064	444.567	ODSFLUYBWVYFPU-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-140965
Cc1cc(c(c(c1)C)C(c1ccccc1)N1CCN(CC1)C(=O)c1nn2CCOc2c1C)C	PC-id_91959943	444.569	BXGVXILHZKKCDX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140966
CN(C(=O)c1ccc(cc1)C[C@@H]1CC[C@@H](N1)C(c1ccccc1)O)Cc1n[nH]c2c1CCC2	SCHEMBL16619862,PC-id_117995544	444.569	KRBRPRVXWZIJQE-ZVZHDGNBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140967
CN(C(=O)c1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O)Cc1n[nH]c2c1CCC2	SCHEMBL16619859,PC-id_117995541	444.569	KRBRPRVXWZIJQE-BBVWWWHTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140968
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-6463342412,EMOLS-id_321737772	444.57	GIKSENYLMXCJFI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-140969
Cn1cc(c2nc(COC(=O)c3c(NC(=O)C(C)(C)C)sc4c3CCC4)cs2)cn1	ZINC22_918821651	444.57	AOMYUQCEGNPREE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-140970
N#Cc1c(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)sc2c1CCC2	EMOLS-id_18839526,CoCoCo_3686446,ZINC22_12792031,PC-id_25515135,MCULE-9166333558	444.57	LSOIYKWNJBZTJC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140971
O=C(NC(C1=CCCC=C1)C)Nc1ccc(cc1)S(=O)(=O)Cc1sc2c(n1)CNC2	PC-id_145372780	444.57	GZFJMHPSWSJQJT-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-140972
c1(c2CCCc2sc1NC(=O)C1CC(=C(CC1C(=O)O)C)C)C(=O)NC1CCCCC1	MCULE-1671815367,EMOLS-id_4131501,TIMTEC183301,PC-id_17377076	444.587	GYHCBPRKEIHTBZ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-140973
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385434,MCULE-5384033566	444.587	DBWSCGWGTJLUDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140974
c1(NC(=O)CCCOc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386713,MCULE-4398004359	444.587	VLUWEVBWZRHVQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140975
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386201,MCULE-4731296262	444.587	OPKLFGVPTBGGSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140976
c1(NC(=O)C(C)Oc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388248,MCULE-6195276876	444.587	OUPJSIFHKJTRSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-140977
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCCC2)CCC3)[C@@H](C(=O)O)C1	CoCoCo_6831990,ZINC22_19641800,PC-id_28250720	444.587	GYHCBPRKEIHTBZ-ROUUACIJSA-N	00000010100011000000000010000000000000000000000000000000	25-01-140978
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCCC2)CCC3)[C@H](C(=O)O)C1	CoCoCo_6831993,PC-id_28250724,ZINC22_19641803	444.587	GYHCBPRKEIHTBZ-QZTJIDSGSA-N	00000010100011000000000010000000000000000000000000000000	25-01-140979
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCCC2)CCC3)[C@@H](C(=O)O)C1	ZINC22_19641798,PC-id_28250718,CoCoCo_6831992	444.587	GYHCBPRKEIHTBZ-MSOLQXFVSA-N	00000010100011000000000010000000000000000000000000000000	25-01-140980
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCCC2)CCC3)C1	ZINC22_19641807,PC-id_28250727,CoCoCo_6831991	444.587	GYHCBPRKEIHTBZ-ZWKOTPCHSA-N	00000010100011000000000010000000000000000000000000000000	25-01-140981
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(C1CCCCC1)CCCS(=O)(=O)O	EMOLS-id_328335774,MCULE-5282455276	444.587	PFIQNQNSKQNFSF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-140982
c1(NC(=O)CSc2scc(c3ccccc3)n2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_536287,MCULE-9928593724,PC-id_2243270,EMOLS-id_2493804,ZINC22_2890887	444.59	OEGJGGKEOFPDFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140983
C=CCN(C(=O)c1cc2c(s1)CCC2)c1nc(c2ccc(S(=O)(=O)C)cc2)cs1	ZINC22_8704943,MCULE-3878443416,PC-id_17436009,CoCoCo_3877842,EMOLS-id_12022475	444.59	STZKOQNIAXUMIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-140984
CCC(=O)Nc1ccc(c(c1)C)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110076	444.59	UZCOOFOLJFQTJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140985
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)c1ccccc1	SCHEMBL19542181	444.59	AVCAASYQHFDMOF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-140986
CO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)c1ccccc1	SCHEMBL19537142	444.59	AVCAASYQHFDMOF-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-140987
OCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)c1ccccc1	SCHEMBL19542180	444.59	CVHFCJYRPQBDQF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-140988
OC[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)c1ccccc1	SCHEMBL19537545	444.59	CVHFCJYRPQBDQF-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-140989
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)[C@H](Oc1ccccc1)C	SCHEMBL19537437	444.59	XNRAIZSWSDTCEQ-OAHLLOKOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-140990
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)COc1ccccc1	SCHEMBL19537546	444.59	SYLBHAFCSRIWBS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-140991
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)N1CC(OC(C1)C)C)C#N	PC-id_56524601	444.59	XEMVXHDZWNLNCV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-140992
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053256	444.59	BMKVHXLXVWLBNT-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-140993
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)C(CCC)CCC	PC-id_44053468	444.59	QVOBYOQEQXNZBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-140994
OC(C[NH+]1CCCCCCC1)COc1cc(C[NH2+]Cc2n[nH]c3c2CCC3)ccc1OC	PC-id_74810651	444.61	MXYWPYOLKIRSDS-UHFFFAOYSA-P	00000010100000110101000010000000000000000000000000000000	25-01-140995
OC(C[NH+]1CCCCCCC1)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_74774371	444.61	QVJMEMMABQSTQX-UHFFFAOYSA-P	00000010100000110101000010000000000000000000000000000000	25-01-140996
OC(C[NH+](C1CCCCC1)C)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_74826040	444.61	WNQCOJSKRFXUSX-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-140997
O[C@@H](C[NH+]1CCCCCCC1)COc1cc(C[NH2+]Cc2n[nH]c3c2CCC3)ccc1OC	PC-id_42517568	444.61	MXYWPYOLKIRSDS-FQEVSTJZSA-P	00000010100000110101000010000000000000000000000000000000	25-01-140998
O[C@H](C[NH+]1CCCCCCC1)COc1cc(C[NH2+]Cc2n[nH]c3c2CCC3)ccc1OC	PC-id_42517572	444.61	MXYWPYOLKIRSDS-HXUWFJFHSA-P	00000010100000110101000010000000000000000000000000000000	25-01-140999
O[C@H](C[NH+]1CCCCCCC1)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42094257	444.61	QVJMEMMABQSTQX-HXUWFJFHSA-P	00000010100000110101000010000000000000000000000000000000	25-01-141000
O[C@@H](C[NH+]1CCCCCCC1)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42094259	444.61	QVJMEMMABQSTQX-FQEVSTJZSA-P	00000010100000110101000010000000000000000000000000000000	25-01-141001
O[C@@H](C[NH+](C1CCCCC1)C)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42596180	444.61	WNQCOJSKRFXUSX-FQEVSTJZSA-P	00000010100010110001000010000000000000000000000000000000	25-01-141002
O[C@H](C[NH+](C1CCCCC1)C)COc1c(OC)cc(C[NH2+]Cc2n[nH]c3c2CCC3)cc1	PC-id_42596182	444.61	WNQCOJSKRFXUSX-HXUWFJFHSA-P	00000010100010110001000010000000000000000000000000000000	25-01-141003
s1c2c(CCC2)c(c1NC(=S)NC(=O)C(c1ccc(CC(C)C)cc1)C)C(=O)OC	PC-id_54782600	444.61	UXTMMBGXXXMCKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141004
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)C)CCC3)nnc1C1CCCCC1	PC-id_141677317	444.613	ZRXNGABLTMJEQN-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-141005
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1CC(CC(C1)C)C)C#N	PC-id_85468658	444.613	APAHUNSJKFSESO-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-141006
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1C[C@@H](C[C@@H](C1)C)C)C#N	PC-id_30626416	444.613	APAHUNSJKFSESO-CALCHBBNSA-O	00000010100010000001000010000000000000000000000000000000	25-01-141007
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1C[C@H](C[C@@H](C1)C)C)C#N	PC-id_30626419	444.613	APAHUNSJKFSESO-IRXDYDNUSA-O	00000010100010000001000010000000000000000000000000000000	25-01-141008
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1C[C@@H](C[C@H](C1)C)C)C#N	PC-id_30626424	444.613	APAHUNSJKFSESO-IAGOWNOFSA-O	00000010100010000001000010000000000000000000000000000000	25-01-141009
OC[C@@H](COc1c(C)cc(cc1C)CCC(=O)c1sc(c2c1CC([C@H]2C)C(C)C)C)O	PC-id_143171965	444.627	POCKDJAGQHXGDL-HXOQZHHGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141010
C=CCOc1c(cc(cc1[Si](C1c2sc(cc2C(=C1C)C)C)(C)C)C)c1ccccc1	SCHEMBL2921383,PC-id_21881041	444.704	VSEDEUHNKGMOPO-UHFFFAOYSA-N	00000011100000110000100010000000000000000000000000000000	25-01-141011
Clc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_45964769,ZINC22_16734984	444.732	WGSTUVGGPOTLHU-SAEKGINCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141013
Clc1ccc(/C=C/c2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_45964827,ZINC22_16735267	444.732	FSDPEWDOXUDTDU-CRWKAAGYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141014
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-5646916641	444.732	WGSTUVGGPOTLHU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141015
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2104239552	444.732	FSDPEWDOXUDTDU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141016
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)C=Cc1ccc(cc1)Cl	MCULE-9628315882	444.732	KOMMVDJJVSRBLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141017
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	TIMTEC351793,MCULE-7759999859,PC-id_3101975,EMOLS-id_638818,BAS-00354984	444.763	OECBMQLJKAZXEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141018
COc1ccc(C(=O)N[C@@H](Nc2sc3c(c2C#N)CCC3)C(Cl)(Cl)Cl)cc1	CoCoCo_49073,ZINC22_3212834,PC-id_40459370	444.763	OECBMQLJKAZXEC-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141019
COc1ccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCC3)C(Cl)(Cl)Cl)cc1	PC-id_1098572,CoCoCo_49072,ZINC22_822209	444.763	OECBMQLJKAZXEC-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141020
COc1ccccc1OCc1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324872193	444.848	XPBHDQSKLVIHEB-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141021
COc1cccc(OCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324874244	444.848	IOHIDQGRUNKAOD-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141022
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1ccccc1OC	MCULE-2971274328	444.848	XPBHDQSKLVIHEB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141023
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1cccc(OC)c1	MCULE-7612661923	444.848	IOHIDQGRUNKAOD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141024
[Se]=c1[se]c2c([se]1)[Se]C[Se]2	PC-id_101062893	444.859	ORAZAKQFUOGPRM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141025
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O)C	MCULE-3532596878	444.867	CJTSGKBFDROFPW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141026
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccc(cc1)Cl)C#N)C(=O)OC	MCULE-5321252819,PC-id_73551108	444.888	UZGLHYRNLNKJAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141027
Clc1ccc(/C=C(/C(=O)Nc2sc3c(C(CC3)C(=O)OC)c2C(=O)OC)C#N)cc1	PC-id_19172619	444.888	UZGLHYRNLNKJAP-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141028
OC[C@@H]1[C@@H](C)n2c([C@@]1(O)C(Cl)(Cl)Cl)cc(c2Cl)I	PC-id_102046435	444.908	GWYFBSRXNBFDCX-UDJQAZALSA-N	00000010100000000000000010000000000000000000000000000000	25-01-141029
c1(NC(=O)c2ccc(cc2Cl)F)c2CSCc2nn1CC(=O)NCc1ccccc1	MCULE-9109606946,CoCoCo_5277771,ZINC22_23139521,PC-id_30862753,EMOLS-id_24913549	444.91	NMBDLAGAQSWDFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141030
c1(NC(=O)c2cccc(Cl)c2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	CoCoCo_5277814,EMOLS-id_24913623,ZINC22_23139640,MCULE-1172258325,PC-id_30862858	444.91	QNBGSIMTIMSJAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141031
Clc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc1	PC-id_44053687	444.91	VJBMNWYUDDBSJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141032
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)c(F)ccc1	PC-id_44053413	444.91	BPVPEPRWGUAZNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141033
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cccc1	PC-id_44053686	444.91	ZEVPSXCKTBSZFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141034
c1(c2CCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)Nc1ccc(Cl)cc1	TIMTEC473983,MCULE-1240641895,PC-id_17378016,EMOLS-id_4131779	444.931	UEJWMNPFZLNAEQ-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-141035
c1(NC(=O)C(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340010,MCULE-4784289165	444.931	DLDRHISMRVMTRE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141036
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338474,MCULE-6801028693	444.931	BLXVTUQRNMZTPJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141037
Clc1ccc(c2oc(nc2)CCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_52088475	444.931	HHEJTTPUYKGQKF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141038
O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834019,PC-id_28250882,ZINC22_19642489	444.931	UEJWMNPFZLNAEQ-HUUCEWRRSA-N	00000010100011110000000010000000000000000000000000000000	25-01-141039
O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_28250879,CoCoCo_6834018,ZINC22_19642484	444.931	UEJWMNPFZLNAEQ-GJZGRUSLSA-N	00000010100011110000000010000000000000000000000000000000	25-01-141040
O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2	PC-id_28250885,CoCoCo_6834016,ZINC22_19642496	444.931	UEJWMNPFZLNAEQ-CABCVRRESA-N	00000010100011110000000010000000000000000000000000000000	25-01-141041
O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_19642479,CoCoCo_6834017,PC-id_28250876	444.931	UEJWMNPFZLNAEQ-LSDHHAIUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-141042
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NS(=O)(=O)Cc3ccc(cc3)Cl)Cc12	EMOLS-id_316318521,MCULE-4760426347	444.934	APEHESQNQXRUFM-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141043
c1(C(=O)NCc2ccccc2)cnn2C[C@@H](NS(=O)(=O)Cc3ccccc3Cl)Cc12	MCULE-5182393125,EMOLS-id_316318009	444.934	HSGXPPKYBWHSBP-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141044
c1(C(=O)NCc2ccccc2)cnn2CC(NS(=O)(=O)Cc3ccc(cc3)Cl)Cc12	MCULE-1152658593	444.934	APEHESQNQXRUFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141045
c1(C(=O)NCc2ccccc2)cnn2CC(NS(=O)(=O)Cc3ccccc3Cl)Cc12	MCULE-2133143360	444.934	HSGXPPKYBWHSBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141046
CC(=O)OC(C1=NN2CCSC2=C1)C3([C@@H]4N(C3=O)C(=CS4)C(=O)O)Br	PC-id_153892113	444.94	HLMADDHJAIPMDL-IWXRYERYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-141047
CC(=O)OC(C1=NN2CSCC2=C1)C3([C@@H]4N(C3=O)C(=CS4)C(=O)O)Br	PC-id_153891794	444.94	WCFLUKOFJGUCRE-IWXRYERYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-141048
Clc1ccc(c2oc(C[NH+](CC(=O)Nc3sc4c(CCC4)c3C(=O)N)C)cc2)cc1	PC-id_41040692	444.954	JGEJAJIEXPSCDE-UHFFFAOYSA-O	00000010101000110000100010000000000000000000000000000000	25-01-141049
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1Cc1ccc(cc1)Cl	MCULE-4740281077,EMOLS-id_335751092	444.961	ZWRSLTOEPQURSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141050
c1(NC(=O)C2CC2c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1345819004,EMOLS-id_334336673	444.974	BDJGNNSMHNVYCL-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-141051
CC(=O)C1CCCCC1C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	PC-id_135200394,SCHEMBL20353979	444.974	ORWBDBWFEIXLEA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141052
Clc1ccc(cc1)NC(=O)c1c(NC(=O)C2CCCC(C2)C(=C)O)sc2c1CCC2	PC-id_142393445	444.974	OQBCSSIHSHOABO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141053
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)Cl	SCHEMBL19537562	444.976	MWTUGBWFSSRIMM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141054
CC(C)Cn1c(CNC(=O)c2n[nH]c3c2CCC3)nnc1SCc1ccccc1Cl	MCULE-5161960532,EMOLS-id_20414394,PC-id_42407712,CoCoCo_1151051,CoCoCo_1151052,ZINC22_12100113	444.981	RRHQIAVSYTVJGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141055
CNSc1ccc(cc1)CC(=O)Nc1sc2c(n1)CN(C2)Cc1ccc(cc1)Cl	PC-id_144742190	445.001	SQLCCEDQNLDQQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141056
Brc1c2n(CCC2C(=O)OC)c(c1Br)C(=O)c1ccc(F)cc1	SCHEMBL11001597,PC-id_20405091	445.078	UWAFMGKWECCSSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141057
CC(C(F)(F)F)NC(=O)C(=O)[C@]1(CCN2C1=CC=C2)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_151287043	445.082	NZPRIYBJKRWBCJ-RXUIWSPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141058
n12ncnc1sc(=Cc1cc(Br)cc(Br)c1OC(=O)C)c2=O	MCULE-4572899218	445.086	UYURZRJDWHJYIZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141059
C1C2=C(CN1C(=O)C3=CC=C(C=C3)C(F)(F)F)NN=C2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_165180385	445.1	BVGQNPYWLJUFFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141060
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)Cl)C(=O)O	PC-id_146707794	445.111	QZYIVEHPORHEEH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141061
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)NC4=CC(=CC=C4)Cl)C(=O)O	PC-id_162203223	445.111	ZRVWDBPCEMVZMU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141062
C=CCOc1c(cc(cc1C(C)(C)C)Cl)[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	PC-id_21880913,SCHEMBL2916594	445.132	IHJCOVMSNDJSIZ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-141063
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=NC=C3)C(F)F)NC(=O)OCC4=NN(C=N4)C	PC-id_152194487	445.167	VTYSFMVKDRKRCT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-141064
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)F)C(=O)C(=O)NC4(CCOCC4)C	PC-id_164801007	445.181	PFSRQCWMWYUMRT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141065
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNNN1)C(=O)Nc1cccc(c1)C#N	PC-id_163996953	445.186	UFNFDIKXQQEPRA-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-141066
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=NN)C=N)C(=O)Nc1cccc(c1)C#N	PC-id_163944709	445.186	HNOKDVUOOCMSQP-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-141067
CCCCCCCN1C(=O)c2c(S1(=O)=O)c(sc2Br)Br	SCHEMBL18317914	445.19	NZFHMMULJSOFDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141068
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)NC1=CCC(C=C1F)F	PC-id_163942935	445.193	RSPDCVIOVDXAHC-YBEGLDIGSA-N	00100010100011000000000010000000000000000000000000000000	25-01-141069
CCOC(=O)C1=NN(C2=C1CCC2)CC(=O)N3CCC(C(C3)(F)F)C4=CC=CC(=C4C)C	PC-id_151381833	445.218	OSONCAVPLRVASV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141070
CCCCCCCCN1Cc2c(S1(=O)=O)c(sc2Br)Br	SCHEMBL18325082	445.233	DTZXFOBNLVXRJO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141071
CCN1C[C@@H](N(C[C@H]1C)C(=O)C2CC3=C(C2(C)C)NN=C3NC4=NC(=NC=C4F)OC)C	PC-id_164711179	445.26	XWRSYRJNHOSJPL-NEJHNUGDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141072
c12sc(NC(=O)Cn3cc(I)cn3)c(C(=O)OCC)c1CCC2	MCULE-2227285136,ZINC22_1432983,PC-id_1512424,TIMTEC557264,EMOLS-id_6819150	445.275	XTMZXBJGMGHZKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141073
BrC1(C2SC=C(N2C1=O)C(=O)[O-])C(OC(=O)C)c1nc2SCCn2c1	PC-id_18183090	445.288	IWHXZOFSWFMQJJ-UHFFFAOYSA-M	00001011100000000001001010000000000000000000000000000000	25-01-141074
BrC1([C@H]2SC=C(N2C1=O)C(=O)[O-])C(OC(=O)C)c1nc2SCCn2c1	PC-id_18661373	445.288	IWHXZOFSWFMQJJ-VTGPFMDVSA-M	00001011100000000001001010000000000000000000000000000000	25-01-141075
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3Cl)Cl)n2)C)sc2c(CCC2)c1C#N	MCULE-5395623654,EMOLS-id_322820138	445.322	YOEURUPJCVYSJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141076
c1(NC(=O)c2c(=O)cc(n(c3ccc(c(Cl)c3)Cl)n2)C)sc2c(CCC2)c1C#N	EMOLS-id_322819370,MCULE-8319941952	445.322	JBNPSJYOQUOKHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141077
O=C(CCc1nnc2s/c(=Cc3ccccc3)/c(=O)n12)Nc1cc(Cl)ccc1Cl	NSC635550,ZINC22_644834	445.322	UACMQTLRFLWSIU-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141078
O=C(CCc1nnc2s/c(=C/c3ccccc3)/c(=O)n12)Nc1cc(Cl)ccc1Cl	SPECS-id_AT-225/NB51083,ZINC22_8653178	445.322	UACMQTLRFLWSIU-MHWRWJLKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141079
Brc1cccc(c1)C(=O)Nc1sc2CCCc2c1C(=O)NCc1ccco1	MCULE-3078824953,EMOLS-id_334337445	445.33	SETFPQJKLHGOLE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141080
Brc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)NCc1ccco1	MCULE-7436052960,EMOLS-id_334340013	445.33	TZRRSWJYCZKSJU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141081
Brc1ccccc1C(=O)Nc1sc2CCCc2c1C(=O)NCc1ccco1	MCULE-8386763579,EMOLS-id_334336165	445.33	ABEMDGMZABBTLS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141082
C(=Cc1ccc(Br)cc1)(C#N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-9049468635	445.33	ZCKAUEWRDJXRGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141083
C(=Cc1cccc(Br)c1)(C#N)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-5957734658	445.33	WMSLWXDUOKIXKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141084
CCOC(=O)c1c2CCCc2sc1NC(=O)/C(=C/c1ccc(Br)cc1)/C#N	EMOLS-id_328094058	445.33	ZCKAUEWRDJXRGX-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141085
CCOC(=O)c1c2CCCc2sc1NC(=O)/C(=C/c1cccc(Br)c1)/C#N	EMOLS-id_328101493	445.33	WMSLWXDUOKIXKV-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141086
c1(C#N)c2CCCc2sc1NC(=O)c1ccc(Cn2c(C)c(c(C)n2)Br)o1	EMOLS-id_4131974,MCULE-3520985732,CoCoCo_6013929,PC-id_4772597,TIMTEC569602,ZINC22_2782133	445.333	YHBWFXIOMSRFGA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-141087
Brc1cc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)c(OCC)cc1	CoCoCo_3532679,PC-id_25473710,MCULE-4606883434,EMOLS-id_18822171	445.351	WHVQLLMHCOLDQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141088
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(F)c(F)c2)sc2CCCc2c1C#N	EMOLS-id_333680375,MCULE-6789358873	445.399	TWZZBNXRJMYLSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141089
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCC1)c1ccc(cc1)Br	PC-id_111791746	445.399	YMWCLRFYXHSPLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141090
CN=C(NCc1nnc2n1CCC2)NCC1(CCCCC1)c1cccc(c1)Br	PC-id_111499161	445.399	NQGAXHXSNAXPRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141091
S1Cc2c(nn(c2NC(=O)c2oc([N+](=O)[O-])cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053645	445.424	CETAEZIHHVWJOZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-141092
s1c2c(CCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)OC	PC-id_19687585	445.436	PMOIQPLEHZOZCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141093
COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1ccc(o1)c1ccc(cc1)F)/c2=O	STOCK4S-62551,EMOLS-id_26345882,ZINC22_9158672	445.466	DKSNDTKIAGQAEF-YWLZQQFISA-N	00000000101000110001100010000000000000000000000000000000	25-01-141094
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-9422134309	445.466	DKSNDTKIAGQAEF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-141095
COc1ccc(F)cc1S(=O)(=O)N[C@H]1Cc2c(cnn2C1)C(=O)NCc1cccnc1	EMOLS-id_316324657,MCULE-2166881288	445.467	YNVQYQVTRSEYIC-HNNXBMFYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-141096
S(=O)(=O)(NC1Cc2n(ncc2C(=O)NCc2cccnc2)C1)c1c(OC)ccc(F)c1	MCULE-2158022295	445.467	YNVQYQVTRSEYIC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-141097
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)Nc1cccc(c1)[N+](=O)[O-]	SCHEMBL17872111,PC-id_121438515	445.469	NMNAGRQNQPQDMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141098
s1c2CCCc2nc1NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2)cc1	PC-id_46565015	445.469	XEPTVZHREXAUFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141099
c1(NC(=O)CSc2nc(C)cc(n2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	MCULE-5234983898,CoCoCo_814694,STOCK2S-84522,ChEMBL-DNDi_CHEMBL6660105,PC-id_1936804,EMOLS-id_2167669,ZINC22_2321296,TIMTEC582521	445.479	YVMXKZPNNRBGJR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-141100
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1c1ccc(OC(F)F)cc1	MCULE-4693119742,EMOLS-id_3312525,CoCoCo_2840779,PC-id_2553011,ZINC22_3433413	445.479	KBDJVNKJPQFHSF-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-141101
C[C@H](c1nn2c(n1)s/c(=Cc1ccccc1F)/c2=O)c1ccc(c(c1)F)c1ccccc1	PC-id_139059109	445.484	GNWISSBBCGDCJJ-HSMAQGNYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-141102
Fc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1F	EMOLS-id_324833012	445.484	XZUSCYMYUNUNEZ-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141103
Fc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c(F)c1	EMOLS-id_324829429	445.484	OJLGXMPTAIRUKX-XKZIYDEJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141104
Fc1ccc(F)c(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324832505	445.484	IQNKQHSCRCSLJE-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141105
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-8110748448	445.484	OJLGXMPTAIRUKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141106
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-7989606783	445.484	XZUSCYMYUNUNEZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141107
s1c2n(nc(n2)C(c2cc(F)c(cc2)c2ccccc2)C)c(=O)c1=Cc1c(cccc1)F	CT-id_2013903	445.484	GNWISSBBCGDCJJ-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-141109
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1OC)OC)C(=O)OC	PC-id_73557556,MCULE-9150447748	445.486	DRGDKSMZQVMANZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141110
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OC)C(=O)OC	PC-id_2789262,MCULE-5366786836	445.486	JEQCKODELJMBCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141111
COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C=C/c1ccc(c(c1)OC)OC	PC-id_5345624,STOCK2S-60852,SPECS-id_AT-225/NB59657,EMOLS-id_25893523,TIMTEC235472	445.486	JEQCKODELJMBCE-UXBLZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141112
COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_723999,ZINC22_943848,PC-id_1183644	445.486	JEQCKODELJMBCE-PPOCWRSBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141113
COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1183642,ZINC22_943846,CoCoCo_724001	445.486	JEQCKODELJMBCE-BCRSCGJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141114
COC(=O)c1c(NC(=O)COC(=O)/C=Cc2cccc(c2OC)OC)sc2c1CCC2	CoCoCo_2985953	445.486	BDSUSKFOCOZAGG-KHPPLWFESA-N	00000010100000110000000010000000000000000000000000000000	25-01-141115
COC(=O)c1c(NC(=O)COC(=O)C=Cc2cccc(c2OC)OC)sc2c1CCC2	MCULE-8738709034,PC-id_5065643,EMOLS-id_43745313	445.486	BDSUSKFOCOZAGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141116
COC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(OC)c2OC)sc2c1CCC2	ZINC22_3322202,CoCoCo_2985952,PC-id_2437673	445.486	BDSUSKFOCOZAGG-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141117
COC(=O)[C@@H]1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C=Cc1ccc(c(c1)OC)OC	CoCoCo_724000	445.486	JEQCKODELJMBCE-AGEOTTOMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141118
COC(=O)[C@H]1CCc2c1c(C(=O)OC)c(s2)NC(=O)/C=Cc1ccc(c(c1)OC)OC	CoCoCo_724002	445.486	JEQCKODELJMBCE-HKBVPSITSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141119
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)OC	PC-id_41668014	445.486	HISZVVJFRDJZBB-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141120
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_74768899	445.486	HISZVVJFRDJZBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141121
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)ccc(OC)c1)C(=O)OC	PC-id_41698848	445.486	NUNAVQNPILSUMP-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141122
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)ccc(OC)c1)C(=O)OC	PC-id_74769325	445.486	NUNAVQNPILSUMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141123
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)cc(OC)cc1)C(=O)OC	PC-id_35686941	445.486	YOLOYDOYNLEATK-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141124
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)cc(OC)cc1)C(=O)OC	PC-id_74643198	445.486	YOLOYDOYNLEATK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141125
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1c(OC)cc(OC)cc1)C(=O)OC	PC-id_19177904	445.486	DRGDKSMZQVMANZ-UXBLZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141126
c1(NC(=O)c2cc(ccc2N2CCOCC2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2183674,CoCoCo_864210,STOCK2S-81123,MCULE-6399833883,ZINC22_9045535,PC-id_2922016	445.489	JWHFGAGSAFNYKB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141127
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3620131075,EMOLS-id_334337442	445.489	UPTWRKAAVIXYBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141128
c1(NC(=O)C(=O)NN=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)OCC	MCULE-1317260536,PC-id_2021442	445.489	KRHIMJFHTPUFLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141129
c1(NC(=O)C(=O)NN=C(C)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	MCULE-5848111116,PC-id_4638307	445.489	KFWLPQXBTRXGSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141130
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)C1CCOCC1	PC-id_89237094,SCHEMBL14055659	445.489	UPIIQUWBKPWVRQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141131
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cccc(c1)NC(=O)C1CCOCC1	SCHEMBL14054931,PC-id_89236500	445.489	ROKGIPVQEBWVJR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141132
CCOC(=O)c1c2CCCc2sc1NC(=O)c1ccc(N2CCOCC2)c(c1)[N+](=O)[O-]	MCULE-2141361751,CoCoCo_3268288,PC-id_4608161,ZINC22_9090596,EMOLS-id_2931700	445.489	IWYLXNWAPRPBRN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141133
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)sc2c1CCC2	STOCK4S-54844,PC-id_6890382,EMOLS-id_26343913	445.489	KRHIMJFHTPUFLF-SSDVNMTOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141134
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C(C)/c1cc(c(cc1)O)OC	PC-id_135683612	445.489	CQZKPXZEESTUAM-FOKLQQMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141135
COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_3090966,PC-id_2117703,ZINC22_2654209,MCULE-6407617699,EMOLS-id_43778184	445.489	SOGNNENMWYGYDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141136
COC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccc(c(c2)OC)OC)C)sc2c1CCC2	STOCK4S-40803,PC-id_9680484,EMOLS-id_26340339	445.489	KFWLPQXBTRXGSQ-FOKLQQMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141137
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CO)C	PC-id_118368800,SCHEMBL17080587	445.489	PKIMURZMTKLAKE-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141138
ONC(=O)[C@@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CO)C	PC-id_118368815,SCHEMBL17080544	445.489	PKIMURZMTKLAKE-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141139
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CO)C	SCHEMBL17080541,PC-id_118368812	445.489	PKIMURZMTKLAKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141140
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)N(CC(=O)NC1CC1)C	PC-id_43031854	445.489	LADCMKIBPDMXBF-UHFFFAOYSA-N	00100010101000000000000010000000000000000000000000000000	25-01-141141
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CNC(=O)c1cc(OC)ccc1)C)C(=O)N	PC-id_29675549	445.489	RLKSPDJUOCSCLK-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-141142
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CNC(=O)c1cc(OC)ccc1)C)C(=O)N	PC-id_29675551	445.489	RLKSPDJUOCSCLK-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141143
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CNC(=O)c1c(OC)cccc1)C)C(=O)N	PC-id_30498533	445.489	ZTKNPODPEAAOLH-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-141144
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CNC(=O)c1c(OC)cccc1)C)C(=O)N	PC-id_30498535	445.489	ZTKNPODPEAAOLH-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141145
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CNC(=O)N)cc1)C(=O)OCC	PC-id_32959114	445.489	KJPFDKJIOJBLMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141146
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)c1occc1)C(=O)N	PC-id_28196127	445.489	CSKWUQKZPRSKKO-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-141147
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CNC(=O)c1cc(OC)ccc1)C)C(=O)N	PC-id_74597254	445.489	RLKSPDJUOCSCLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141148
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CNC(=O)c1c(OC)cccc1)C)C(=O)N	PC-id_85465816	445.489	ZTKNPODPEAAOLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141149
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1c(OCC)cccc1)C(=O)N	PC-id_45693924	445.489	JYAQHTSVVQFEOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141150
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC(=C1C=C(OC)C(=O)C=C1)C)C(=O)OCC	PC-id_6820818	445.489	MJXANRVEHJGAEL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-141151
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(c1cc(OC)c(OC)cc1)/C)C(=O)OC	PC-id_6172323	445.489	KFWLPQXBTRXGSQ-KSEXSDGBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141152
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC)c(OC)ccc1)C(=O)OCC	PC-id_19660325	445.489	RHNJCSZPBNKCQS-SSDVNMTOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141153
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC)c(OC)ccc1)C(=O)OCC	PC-id_73634785	445.489	RHNJCSZPBNKCQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141154
c1(NC(=O)COc2nonc2CC(=O)N2CCC(CC2)CO)sc2CCCc2c1C#N	EMOLS-id_333690407,MCULE-3237574004	445.492	RGSBLYWQHLMJBY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141155
c1(NC(=O)COc2nonc2CC(=O)N2CC(C)OC(C)C2)sc2CCCc2c1C#N	MCULE-5364422916,EMOLS-id_333691174	445.492	LBDLPIWQLKAZSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141156
CC(=O)SC1CC(N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])CN1CCc2nccn12	PC-id_88466652	445.492	QWKXIORGLXSKAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141157
CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])CN1CCn2c1ccn2	PC-id_18652164,SCHEMBL9461034	445.492	UWULQVANDNXHLZ-ROUUACIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141158
O=C(N1C[C@H](C[C@H]1CN1CCc2n1ccn2)SC(=O)C)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9461036	445.492	QWKXIORGLXSKAV-ROUUACIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141159
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_44053161	445.492	TUYZTWLHZVSTAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141160
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_44053162	445.492	QCDZALUZGGTKMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141161
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1	PC-id_44053185	445.492	AJHXCYVVQXRLNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141162
S(C1CC(N(C1)C(=O)OCc1ccc([N+](=O)[O-])cc1)CN1CCn2nccc12)C(=O)C	PC-id_19758990	445.492	UWULQVANDNXHLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141163
c12c(CCC1C(=O)Nc1ccc(cc1)n1cnnn1)sc(NC(=O)c1ccc(cc1)C)n2	MCULE-4896803329,EMOLS-id_29779616,PC-id_45503591	445.497	OVRWYMMKYFAXMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141164
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2ccc(n3cnnn3)cc2)cc1	CoCoCo_5284860,ZINC22_36709196,PC-id_51868348	445.497	OVRWYMMKYFAXMR-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141165
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2ccc(n3cnnn3)cc2)cc1	ZINC22_36709197,PC-id_51868349,CoCoCo_5284861	445.497	OVRWYMMKYFAXMR-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141166
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CS(=O)C1)C)C)F	SCHEMBL20252987,PC-id_134599086	445.507	APEXSTNKPHSKRS-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-141167
O=[S@@]1C[C@](C1)(C)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)F)C	SCHEMBL20252991	445.507	APEXSTNKPHSKRS-OCUBCVOHSA-N	00001010100000110000000010000000000000000000000000000000	25-01-141168
O=[S@@]1C[C@@](C1)(C)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)F)C	SCHEMBL20252992	445.507	APEXSTNKPHSKRS-SDJJKBCASA-N	00001010100000110000000010000000000000000000000000000000	25-01-141169
s1c2c(nc1NC(=O)c1ccc(F)cc1)C(CC2)C(=O)N1CC(CCC1)C(=O)OCC	PC-id_16947182	445.507	CENIIKSWCSXEPY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141170
s1c2c(nc1NC(=O)c1ccc(F)cc1)C(CC2)C(=O)N1CCC(CC1)C(=O)OCC	PC-id_16947183	445.507	PITRPICLVZGUAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141171
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-9209619272,PC-id_24223385	445.509	PYROHGRAMKHZRM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141172
COc1ccc(c(c1)NC(=O)c1c(NC(=O)C[C@@H](CC(=O)[O-])C)sc2c1CCC2)OC	GD-id_ZINC19644662,PC-id_28251382	445.509	PPPQPAVWLQXOFR-LBPRGKRZSA-M	00000010100000110000000010000000000000000000000000000000	25-01-141173
COc1ccc(c(c1)NC(=O)c1c(NC(=O)C[C@H](CC(=O)[O-])C)sc2c1CCC2)OC	PC-id_28251379,GD-id_ZINC19644659	445.509	PPPQPAVWLQXOFR-GFCCVEGCSA-M	00000010100000110000000010000000000000000000000000000000	25-01-141174
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_74552240	445.509	PPPQPAVWLQXOFR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-141175
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)F)C2)c2CSCc2nn1CC(=O)NCCC	MCULE-8669944513,PC-id_44052847,EMOLS-id_24913169	445.51	RATYGTYKXXQDJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141176
CCCNC(=O)Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccc(F)cc3)C1)CSC2	CoCoCo_5277514,PC-id_30862135,ZINC22_23138798	445.51	RATYGTYKXXQDJT-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141177
CCCNC(=O)Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccc(F)cc3)C1)CSC2	CoCoCo_5277515,PC-id_30862140,ZINC22_23138802	445.51	RATYGTYKXXQDJT-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141178
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_320607726,MCULE-1364674940	445.512	PXQXMEYCSYKLEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141179
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_320626894,MCULE-4113812753	445.512	RGNNIMMHYZAPBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141180
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1nc(oc1C)c1sccc1)C(=O)N	PC-id_55734576	445.512	LICXCVHEBHIQTF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-141181
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(OC)cc1)C(=O)OC	PC-id_4572301	445.512	PYOUNSHMQKFDOE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141182
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)ccc1)C(=O)OC	PC-id_4118947	445.512	DYPBOZMIHIGLFN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141183
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)cccc1)C(=O)OC	PC-id_4092409	445.512	GTRHWJFSCMOSFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141184
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)COc1ccccc1)C(=O)OC	PC-id_3392206	445.512	ZMGDYWCLIPIDPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141185
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_17187143	445.512	LPBFHHGSGCRBNZ-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141186
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_73372742	445.512	LPBFHHGSGCRBNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141187
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_17176189	445.512	MREIQNNXIHDLRW-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141188
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_73371963	445.512	MREIQNNXIHDLRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141189
S1(=O)(=O)N(CCC1)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_24523237	445.512	XYVUBZYYRIVTMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141190
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1cccs1	MCULE-3595177984	445.513	DSBFRAAUYXUVSI-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-141191
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)C(=O)Nc1ccc(cc1)C	PC-id_141417101	445.514	AODGWOYDMNWURB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141192
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)N(c1ccc(cc1)C)C=O	PC-id_141257368	445.514	MFWXIBKOXRYJPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141193
COc1ccccc1c1cc(n(n1)C)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109474	445.514	VOKBATUKLAPYGW-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-141194
COc1cccc(c1)c1cc(n(n1)C)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109486	445.514	DEQVBCDYQFIAPK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-141195
O1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3CN(Cc23)C(=O)[C@@H](c2ccccc2)C)cc1	PC-id_11259364,SCHEMBL2923297	445.514	JPCXLKGPBVAGHQ-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141196
O=C(N1Cc2n(nc(NC(=O)c3ccc(cc3)C)c2C1)C(=O)c1ccccc1)NCCCC	PC-id_54767644	445.514	ITAAQZMOVIMBIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141197
O=C(N1Cc2n(nc(NC(=O)Cc3ccccc3)c2C1)C(=O)c1ccccc1)NCCCC	PC-id_54767818	445.514	HBJNTBFRVIDLAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141198
c1(NC(=O)CC2S/C(=Nc3ncccn3)/NC2=O)sc2c(CCC2)c1C(=O)OCC	PC-id_136184842,MCULE-9376374335	445.515	VSLGPWQDEKFHRI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-141199
c1(NC(=O)CSc2nnnn2c2cccc(OC)c2)sc2c(CCC2)c1C(=O)OC	CoCoCo_6440606,ZINC22_28166639,PC-id_16649131,MCULE-9232084519,EMOLS-id_32288376	445.515	DWHXXJIHTBJTMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141200
COC(=O)c1c(NC(=O)CSc2nnnn2c2ccccc2OC)sc2c1CCC2	ZINC22_10382217,PC-id_6491332,ASN-11848605,CoCoCo_5201698,EMOLS-id_5634557,MCULE-8876919464	445.515	RQAFAPVJSVTDDQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141201
COC(=O)c1c(NC(=O)CSc2nnnn2c2ccc(OC)cc2)sc2c1CCC2	EMOLS-id_9379046,MCULE-3788384163,PC-id_16539063,ZINC22_10861147,CoCoCo_3024058	445.515	PTFFEFXILWSWDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141202
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(O)cc1)C(=O)OCC	PC-id_35965484	445.515	FQFOERGPOXBSOS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141203
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1sc(nn1)C	PC-id_16948091	445.515	NRDVOLQTXDNRHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141204
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)Nc1ccccc1	PC-id_71717115	445.517	GPIRMZIWATXULY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141205
s1c2c(CCC2)c(c1Nc1nc(NCCc2sccc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127539	445.519	YMQZEXGQDUPNIV-UHFFFAOYSA-N	00000010100100100001000010000000000000000000000000000000	25-01-141206
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccnc(n3)C#N)[nH]nc2C1(C)C)c1ccccc1	PC-id_59474195,BindingDB-id_218950,BindingDB_PC-id_59474195,SCHEMBL1943413	445.52	DSCHESZZDGUKHJ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141207
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1C)C)C(=O)OC	MCULE-8601518053,PC-id_19191493	445.529	BGHIZJSZQIJFJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141208
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1)CC)C(=O)OC	PC-id_19173539,MCULE-1096964842	445.529	HMDJFBYIYGOTCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141209
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1cc(C)ccc1C)C(=O)OC	MCULE-1243776647,PC-id_19175305	445.529	QVOADFRADCFOSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141210
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1cccc(C)c1C)C(=O)OC	PC-id_19190975,MCULE-5911276759	445.529	MDBOYYZEVXAFCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141211
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccccc1C(C)(C)C)C(=O)OC	EMOLS-id_1116578,ChEMBL-DNDi_CHEMBL5958657,PC-id_2789278,MCULE-9300912293,SPECS-id_AF-399/13428153,STOCK2S-64211	445.529	BVCOGQFJTOPAPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141212
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)C(C)(C)C)C(=O)OC	MCULE-6480377515,TIMTEC244508,STOCK2S-62532,PC-id_2789279,EMOLS-id_662867,SPECS-id_AF-399/13428154,ChEMBL-DNDi_CHEMBL2798-0903	445.529	JOPBXPMOGFOSFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141213
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(c(C)c1)C(C)C)C(=O)OC	EMOLS-id_1863039,STOCK2S-76132,MCULE-7796488441,PC-id_2790136	445.529	JADISZPFSRCEFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141214
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cc(C)ccc1C(C)C)C(=O)OC	SPECS-id_AE-641/40795339,STOCK2S-57769,MCULE-7532702738,PC-id_2787429,EMOLS-id_1132986	445.529	PVOMWDQYXXFPGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141215
COC(=O)c1c(NC(=O)COc2ccccc2C(C)(C)C)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_722098,ZINC22_729953,PC-id_1051257	445.529	BVCOGQFJTOPAPL-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141216
COC(=O)c1c(NC(=O)COc2ccccc2C(C)(C)C)sc2c1[C@H](C(=O)OC)CC2	PC-id_1051256,ZINC22_729952,CoCoCo_722099	445.529	BVCOGQFJTOPAPL-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141217
COC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1554825,ZINC22_1747466,CoCoCo_842312	445.529	PVOMWDQYXXFPGY-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141218
COC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1[C@H](C(=O)OC)CC2	ZINC22_951637,CoCoCo_842313,PC-id_1189219	445.529	PVOMWDQYXXFPGY-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141219
COC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1562661,ZINC22_1770630,CoCoCo_814934	445.529	JADISZPFSRCEFI-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141220
COC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744158,PC-id_1553465,CoCoCo_1708524	445.529	JOPBXPMOGFOSFJ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141221
COC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1770632,PC-id_1562663,CoCoCo_814935	445.529	JADISZPFSRCEFI-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141222
COC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_4289847,PC-id_6995210,CoCoCo_1708525	445.529	JOPBXPMOGFOSFJ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141223
CC(C)CC(CN(C)C)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_89800978,SCHEMBL15252649	445.53	BJMZMOMBAMQIJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141224
CC(C)CC(CN(C)C)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F	PC-id_89801090,SCHEMBL15252762	445.53	ZDHPMQODHKDLKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141225
CC(C[C@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)CN(C)C)C	PC-id_58015617,SCHEMBL12879221	445.53	BJMZMOMBAMQIJA-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141226
CC(C[C@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)CN(C)C)C	SCHEMBL12879354,PC-id_58015575	445.53	ZDHPMQODHKDLKP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141227
CS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2)Cc1ccc(cc1)F	PC-id_134171037,SCHEMBL19772217	445.53	PFWMDLAIQVAKDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141228
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)C	GD-id_ZINC09207348,PC-id_40967886	445.53	XSYACDCJCLCPKE-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-141229
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1c(OC)ccc(OC)c1	EMOLS-id_1471926,PC-id_1080862,ChEMBL-DNDi_CHEMBL7019500,ZINC22_13465527,CoCoCo_339839,MCULE-3369157977	445.532	ZDVYYIMDFDJQLV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141230
c1(NC(=O)NN=Cc2ccc(c(OC)c2)OCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4459585232,PC-id_19169870	445.532	QWPULFDRZORYSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141231
COc1cc(OC)cc(c1)C(=O)NC(C(=O)NNC(=O)c1cc2c(s1)CCC2)C(C)C	PC-id_42911013,MCULE-9745993972,EMOLS-id_43876293	445.532	DHBGGTWLYYZXCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141232
COc1cc(OC)cc(c1)C(=O)N[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C(C)C	CoCoCo_4959973	445.532	IJSUJUQWQYFMDO-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141233
COc1cc(OC)cc(c1)C(=O)N[C@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)C(C)C	CoCoCo_3440017,PC-id_33820357	445.532	DHBGGTWLYYZXCZ-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-141234
COc1cc(OC)cc(c1)C(=O)N[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)C(C)C	PC-id_33820361,CoCoCo_3440018	445.532	DHBGGTWLYYZXCZ-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141235
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2sc3c(c2C(=O)N)CCC3)C(C)C)c1	PC-id_16248452,CoCoCo_4959972,ZINC22_9544536,EMOLS-id_26063039,MCULE-6653070950	445.532	IJSUJUQWQYFMDO-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141236
CO/N=C/1c2sccc2[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H]1O	PC-id_92341307,CoCoCo_5749152,ZINC22_8665762	445.532	JDHFUGJVMSDXFK-HNDYXMAMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141237
CO/N=C/1c2sccc2[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H]1O	ZINC22_8665760,PC-id_92341305,CoCoCo_5749154	445.532	JDHFUGJVMSDXFK-WHUGZBEWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141238
CO/N=C
/c2sccc2[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H]1O	ZINC22_8665761,PC-id_92341304,CoCoCo_5749155	445.532	JDHFUGJVMSDXFK-VIPLSENZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141239
CO/N=C
/c2sccc2[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H]1O	ZINC22_8665763,CoCoCo_5749153,PC-id_92341306	445.532	JDHFUGJVMSDXFK-FJAPVNEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-141240
CO/N=C/1[C@@H](O)[C@H](c2c1scc2)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749151,NSC681957	445.532	JDHFUGJVMSDXFK-JEKHJMKFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141241
CO/N=C
/[C@@H](O)[C@@H](c2c1scc2)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749156	445.532	JDHFUGJVMSDXFK-VKKNXQDYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141242
CO/N=C/1[C@@H](O)[C@@H](c2c1scc2)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749157	445.532	JDHFUGJVMSDXFK-NQTYWGLVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141243
CO/N=C
/[C@@H](O)[C@@H](c2c1scc2)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749158	445.532	JDHFUGJVMSDXFK-IDYNDQQLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141244
CO/N=C/1[C@@H](O)[C@@H](c2c1scc2)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	CoCoCo_5749159	445.532	JDHFUGJVMSDXFK-VNDFHSCVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141245
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C(=O)Nc1onc(c1)C	PC-id_75657289	445.532	WTODBFIWQYWSAP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141246
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1onc(c1)C	PC-id_51482067	445.532	WTODBFIWQYWSAP-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141247
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1onc(c1)C	PC-id_51482068	445.532	WTODBFIWQYWSAP-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141248
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1oc(cc1)C)C(=O)OCC	PC-id_56383609	445.532	MGTNMLYXTGJNCQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-141249
s1c2c(CCC2)c(c1NC(=O)CNc1c(c(NC(=O)OCC)ccc1)C)C(=O)OCC	PC-id_55989603	445.532	DQXIMSDXOHZIMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141250
s1c2c(CCC2)c(c1NC(=O)CNc1cc(OCC(=O)N(C)C)ccc1)C(=O)OCC	PC-id_52704398	445.532	ASXCXDIHEBKMPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141251
s1c2c(CCC2)c(c1NC(=O)CN(CCC(=O)N)c1ccc(OC)cc1)C(=O)OCC	PC-id_24533707	445.532	SDWFCXZKUQXNKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141252
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1cc(OC)ccc1)C)C(=O)OCC	PC-id_4818886	445.532	LYQIYOSMZXUXBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141253
s1c2c(CCC2)c(c1NC(=O)C(NC(=O)c1cc(OC)cc(OC)c1)C(C)C)C(=O)N	PC-id_4793356	445.532	IJSUJUQWQYFMDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141254
s1c2c([C@H](NC(=O)C(NC(=O)OC(C)(C)C)Cc3ccccc3)[C@H](O)C2=NOC)cc1	PC-id_387824	445.532	JDHFUGJVMSDXFK-YLGOGADGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141255
s1c2c(C(NC(=O)C(NC(=O)OC(C)(C)C)Cc3ccccc3)C(O)C2=NOC)cc1	PC-id_496203	445.532	JDHFUGJVMSDXFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141256
s1c2c(C(NC(=O)C(NC(=O)OC(C)(C)C)Cc3ccccc3)C(O)/C/2=N/OC)cc1	PC-id_5790624	445.532	JDHFUGJVMSDXFK-UQQQWYQISA-N	00000010100000110000000010000000000000000000000000000000	25-01-141257
c1(NC(=O)COc2ccc(cc2)C(=O)Nc2cccc(C)c2C)sc2c(CCC2)c1C#N	EMOLS-id_2494552,ZINC22_950218,MCULE-9391529030,PC-id_1188049,CoCoCo_537604	445.533	HKZIVOSAERHEAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141258
c1(NC(=O)COc2ccc(cc2)C(=O)Nc2cc(C)ccc2C)sc2c(CCC2)c1C#N	MCULE-6746232051,PC-id_1188051,CoCoCo_532732,ZINC22_950220,EMOLS-id_2491668	445.533	ZLMDJXLKEFHQGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141259
c1(NC(=O)COc2ccc(cc2)C(=O)NCCc2ccccc2)sc2c(CCC2)c1C#N	CoCoCo_532665,ZINC22_950219,PC-id_1188050,EMOLS-id_2491626,MCULE-9108291701	445.533	SRTWZIJIJOVRLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141260
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_323194674,MCULE-4506272403	445.533	QDNFMUUSIQMCJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141261
C(=O)(OCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327931898,MCULE-2227878670	445.533	FIUCBTIWAHDXKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141262
s1c2CCCc2c(c1NC(=O)COc1ccc(C(=O)Nc2c(cc(cc2)C)C)cc1)C#N	PC-id_1662657	445.533	TUCKMCIVAUJSOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141263
s1c2CCCc2c(c1NC(=O)COc1ccc(C(=O)Nc2c(CC)cccc2)cc1)C#N	PC-id_1662658	445.533	XBXQBYSMPRHSQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141264
CCOc1ccc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC)F	PC-id_143732567	445.534	NKGGBHFVHFRFBQ-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-141265
c1(NC(=O)COc2nonc2CC(=O)N(CCCC)CCC)sc2CCCc2c1C#N	EMOLS-id_333692455,MCULE-4109229232	445.535	QBVQHLMQQSRIQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141266
c1(NC(=O)COc2nonc2C(=O)NCCCCCCCC)sc2CCCc2c1C#N	MCULE-6216907100,EMOLS-id_333715004	445.535	COGRAAPZGCBRQI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141267
c1(NC(=O)COc2nonc2C(=O)N(CCCC)CCCC)sc2CCCc2c1C#N	MCULE-9807099196,EMOLS-id_333663434	445.535	CDYMDBXXEJNTAP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141268
CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1	PC-id_59333949,SCHEMBL7015637,BindingDB-id_546047,BindingDB_PC-id_59333949	445.537	PVJVEBBWSBNEJJ-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141269
CNc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NCC1(C)C[C@H](CN1C)C)F	SCHEMBL19200829	445.537	OAGWLHUXLNIAAX-FXADVQPWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-141270
CNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1	SCHEMBL7014127,BindingDB_PC-id_25156022,BindingDB-id_546033,PC-id_25156022	445.537	LRZKRKDRHKBUGU-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141271
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(C(C2)C)C)C)(C)C)nc(nc1)NCC	PC-id_72257738	445.537	PVJVEBBWSBNEJJ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141272
Cn1ncc(c1)Nc1nccc(n1)c1ccc(c(c1)C)CNC(=O)c1sc2c(n1)CCC2	PC-id_118139723,SCHEMBL16794390	445.54	RVCXYVQEFASLCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141273
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(F)cc1)C(=O)OCC	PC-id_22195888	445.55	JJEHOLGQRWHBHP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141274
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(F)ccc1)C(=O)OCC	PC-id_22195688	445.55	RKMJFIYFYGPSQU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141275
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CCC1)Cc1ccc(F)cc1)C(=O)OC	PC-id_24615920	445.55	NSRHLIOGOBEPCB-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-141276
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(SC)cc1)C(=O)OCC	PC-id_3344965	445.552	QYKGYKOTGGGVLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141277
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)CC2CCCO2)sc2c(CCC2)c1C#N	EMOLS-id_5522490,PC-id_16798804,MCULE-7034301619	445.555	QRJUOCNYRGLMIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141278
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C#N	ZINC22_10337671,PC-id_16831861,CoCoCo_5200006,EMOLS-id_12048190,MCULE-9659097827	445.555	FKQYCTQYAJPJHU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141279
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCCC2)sc2CCCc2c1C#N	MCULE-3587825423,EMOLS-id_333771348	445.555	BKQPSYKTNXBBNA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141280
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CC=C)sc2CCCc2c1C#N	EMOLS-id_331788467,MCULE-7098843574	445.555	QFDSAWVIVTURGE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141281
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccccc2OCC)sc2c(CCC2)c1C#N	EMOLS-id_320615133,MCULE-5978410891	445.555	OEGOYHIETXGAIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141282
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(OCC)cc2)sc2c(CCC2)c1C#N	MCULE-5033852150,EMOLS-id_320608990	445.555	JHSGMYZBVYTJJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141283
c1(NC(=S)Nc2ccc(cc2)C(=O)N2CCOCC2)sc2c(CCC2)c1C(=O)OC	Chemmine_19404,MCULE-6221047217,ChEMBL-DNDi_CHEMBL1430238,ZINC22_13519910,CoCoCo_1002310,TIMTEC459039,CHEMBL1430238,PC-id_2211671,EMOLS-id_2318897	445.555	STVBYSNBHPNHHX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141284
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cccc(c1)C(=O)N1CCCCC1	PC-id_89237091,SCHEMBL14055656	445.555	NBXIDHHOEYWKBR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141285
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N1CCCCC1	PC-id_89238838,SCHEMBL14057664	445.555	NFMROWJFXJXKLX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141286
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)c1ccccc1	PC-id_89238317,SCHEMBL14057045	445.555	YFPTXXZETNCEMK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141287
CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_9599548,PC-id_41139922,CoCoCo_5057563	445.555	QRJUOCNYRGLMIX-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141288
CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_9599549,PC-id_41139923,CoCoCo_5057562	445.555	QRJUOCNYRGLMIX-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141289
N#Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2	ZINC22_3310256,MCULE-3956862727,PC-id_2425947,EMOLS-id_3037825,CoCoCo_3268220	445.555	QFPPAAHQPOABAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141290
s1c2c(CCC2)c(c1NC(=O)CSc1ncc(C(=O)N2CCCC2)cc1)C(=O)OC	PC-id_45777260	445.555	HWCSJULPUBJEPJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141291
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(OC)cc1	PC-id_16862846	445.555	SEZVOZHWEYMQHH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141292
S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_23986794	445.555	FGAJCWUDOULMJG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141293
c1(C(=O)NCC2CCN(CC2)Cc2ccccc2C)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-2503705626,EMOLS-id_316323641	445.557	COLARVUGYUCARM-DEOSSOPVSA-N	00000010100010111001000010000000000000000000000000000000	25-01-141294
c1(C(=O)NCC2CCN(CC2)Cc2ccc(cc2)C)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316325183,MCULE-6343666618	445.557	SCEIMUHFFVNODM-DEOSSOPVSA-N	00000010100010111001000010000000000000000000000000000000	25-01-141295
c1(C(=O)NCC2CCN(CC2)Cc2ccc(cc2)C)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-3297439529	445.557	SCEIMUHFFVNODM-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-141296
c1(C(=O)NCCC2CCN(CC2)Cc2ccccc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316324663,MCULE-2047962043	445.557	WTLMHWASOIQOBY-DEOSSOPVSA-N	00000010100010111001000010000000000000000000000000000000	25-01-141297
c1(C(=O)NCCN2CCC(CC2)Cc2ccccc2)cc2n(C[C@@H](Oc3cccnc3)C2)n1	MCULE-7515051527,EMOLS-id_316322105	445.557	IUCNMQIKZVTJQD-DEOSSOPVSA-N	00000010100010111001000010000000000000000000000000000000	25-01-141298
c1(NC(=O)C2CCN(CC2)S(=O)(=O)C)c2CSCc2nn1CC(=O)NCCOC	ZINC22_23138958,PC-id_30862278,EMOLS-id_24913277,CoCoCo_5277573,MCULE-4599103435	445.557	IYQQGFZXGPVIII-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141299
n12CCCc1nnc2CNC(=O)c1ccc(cc1)OC1CCN(CC1)CCc1ccccc1	MCULE-1352800387,CoCoCo_1470622,EMOLS-id_20634759,PC-id_25460851,ZINC22_12718504,CoCoCo_1470621	445.557	WROFFCQXZLBLGA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141300
n1c(CNC2CCN(CC2)c2ccc(cc2)NC(=O)COc2ccccc2)c2c(CCC2)[nH]1	ZINC22_12150950,PC-id_42431171,MCULE-3886827395,CoCoCo_1436313,CoCoCo_1436312,CoCoCo_1436311,CoCoCo_1436314,EMOLS-id_20612049	445.557	PVHQMADRURAKDU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141301
N#Cc1c(NC(=O)CSc2nnc(NCc3ccc(F)cc3)s2)sc2c1CCC2	ZINC22_14129403,EMOLS-id_43995885,CoCoCo_4309422,PC-id_16352191,MCULE-1735663519	445.557	DMUBVRCERJQUSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141302
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)NCC1CCN(CC1)Cc1ccccc1C	MCULE-5834391611	445.557	COLARVUGYUCARM-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-141303
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)NCCC1CCN(CC1)Cc1ccccc1	MCULE-7354752533	445.557	WTLMHWASOIQOBY-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-141304
O=C(c1cc2n(n1)CC(C2)Oc1cccnc1)NCCN1CCC(CC1)Cc1ccccc1	MCULE-3107524808	445.557	IUCNMQIKZVTJQD-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-141305
O=C(c1[nH]nc2c1CCC2)N(Cc1cccnc1)Cc1ccc(cc1)OCCN1CCCC1	ChEMBL-DNDi_CHEMBL69987034	445.557	LMXPRLQJJBIEPD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-141306
CCCN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1nnc(c2cccs2)o1	PC-id_16371489,CoCoCo_3595275,MCULE-6653494778,EMOLS-id_11822685,CoCoCo_3595276,ZINC22_9375901	445.558	ZLZIHHWCWCMFHC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-141307
CCn1c(nnc1c1ccoc1C)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_11774387,SCHEMBL21045572,PC-id_16334768,MCULE-3360050018	445.558	VDPJMKCONLPHHS-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141308
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccoc1C	CoCoCo_4178513,PC-id_41167043,ZINC22_9665124	445.558	VDPJMKCONLPHHS-NSHDSACASA-N	00000010101000000001100010000000000000000000000000000000	25-01-141309
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccoc1C	PC-id_41167044,CoCoCo_4178512,ZINC22_9665126	445.558	VDPJMKCONLPHHS-LLVKDONJSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141310
Nc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_321727562,MCULE-4048676340	445.558	OYSSZQZDTDTTIM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141311
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC(C)C)c(nn1)c1occc1)C(=O)N	PC-id_41127338	445.558	FEFORNUQSNVTTH-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141312
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)C)C(=O)OC	PC-id_20127171	445.558	ONHMMXWKIFHBDD-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-141313
c1(C2CC(=O)N(C(C)C)C2)nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-5173506025,EMOLS-id_335755185	445.562	PVYZXHCRVLCQMD-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-141314
c1(nnc(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)n1CC)c1cc(n(C)n1)C	MCULE-3087743829,CoCoCo_6581020,PC-id_4773342,ZINC22_2784041,EMOLS-id_4132560	445.562	BFALDHAKOBUBCJ-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-141315
c1(NC(=O)CCc2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-5317908079,PC-id_19236944	445.572	XOSXSUQZPRBHKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141316
CC#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)ccs2)CC(=O)OC	PC-id_118203613,SCHEMBL16870134	445.573	KYMMVAWPWGFAFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141317
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(Sc2ccccc2)n2c1CCC2	LI_194352,CoCoCo_5637268,ZINC22_1592874,PC-id_343561,NSC383342	445.575	HXJBTLFASWDBBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141318
OCCN1CCN(CC1)Cc1sc2c(c1)CN(C2)C(=O)c1cc(C(C)C)c(cc1O)O	PC-id_141750770	445.575	JDEOLWBCHLOWBK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141319
CCCCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_45966155,ZINC22_97946822	445.576	MQKSSKISGXYPIP-GKKKVQSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141320
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CCC1CCCCC1	MCULE-5706743342	445.576	PJQANHWKUVWXCX-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-141321
n12nc(nc1sc(=Cc1ccc(cc1)OCCCCCCC)c2=O)C=Cc1ccccc1	MCULE-7727905141	445.576	MQKSSKISGXYPIP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141322
O=c1n2nc(CCC3CCCCC3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324902921	445.576	PJQANHWKUVWXCX-QJOMJCCJSA-N	00000000100010110001000010000000000000000000000000000000	25-01-141323
s1c2c(nc1NC(=O)c1ccccc1)C(C(=O)N1CCC(CC1)Cc1ccccc1)CC2	PC-id_16947025	445.576	OYBMBMSTEMOYJP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141324
CC1(CCC2(C(C1)N2)C(=C1C=c2c(=N1)cc(s2)NC(=O)C(CO)N1CCOCC1)N)C	PC-id_90077348	445.578	ZXWBZURGZMUGKT-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-141325
CCCCOC(=O)c1nn2c(/c/1=Cc1ccc(s1)N(CCCC)CC)nnc2COC	SCHEMBL12559699,PC-id_59211514	445.578	QNBRXLQMUUUXIE-VKAVYKQESA-N	00000000100100000001000010000000000000000000000000000000	25-01-141326
s1c(N(CCCC)CC)ccc1C=c1c2n(nc1C(=O)OCCCC)c(nn2)COC	PC-id_72531742	445.578	QNBRXLQMUUUXIE-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-141327
S(=O)(=O)(N1CCC(CC1)C(=O)N(Cc1n2CCCc2nn1)C)c1ccc(cc1)C(C)C	PC-id_46458201	445.578	YBJRWYKPEJAKEW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141328
Cc1ccccc1Nc1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)s1	PC-id_2081139,MCULE-9337766293,EMOLS-id_3246809,ZINC22_2619232,CoCoCo_2984450	445.581	GSQFNYKHLSHSRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141329
Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)s2)c1	ZINC22_9616774,EMOLS-id_43758735,CoCoCo_3022477,MCULE-5587837598,PC-id_3305460	445.581	GXEPLPGCBNEINN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141330
Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)s2)cc1	PC-id_2079938,ZINC22_2618052,CoCoCo_2988005,MCULE-5008378435,EMOLS-id_3244986	445.581	KBTQXSCIENCVIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141331
NC(=O)c1c(NC(=O)CSc2nnc(NCc3ccccc3)s2)sc2c1CCC2	PC-id_2125749,MCULE-6375271025,CoCoCo_3003708,ZINC22_2661772,EMOLS-id_3238338,GD-id_ZINC02661772	445.581	VIGBZALKBKGUBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141332
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1sc(SCC)nn1	PC-id_16947619	445.581	MOYCZQLRWMCSGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141333
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CC=C2C(=O)OCCCCCCCC	SCHEMBL10997391,PC-id_88704246	445.593	WQLPAICCKBNUKC-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-141334
OC1C(n2nnc(c2C1O)CCCCCCCCCCCC)COc1ccc(OC)cc1	PC-id_75234157	445.595	MNAMOHLQNKEXFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141335
O[C@H]1[C@@H](n2nnc(c2[C@H]1O)CCCCCCCCCCCC)COc1ccc(OC)cc1	PC-id_46856062	445.595	MNAMOHLQNKEXFF-ZKMPZPQNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141336
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCC)sc2CCCc2c1C#N	EMOLS-id_331785919,MCULE-3267474557	445.598	KMPOYTIKBSASKP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141337
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CC)sc2CCCc2c1C#N	EMOLS-id_331792307,MCULE-6564193646	445.598	UJHWRGINPLLDGS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141338
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CC(C)C)sc2CCCc2c1C#N	MCULE-1958740446,EMOLS-id_331784382	445.598	FWVOOWBUJZPBAC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141339
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCC)sc2CCCc2c1C#N	MCULE-5569790325,EMOLS-id_331787708	445.598	MMIYQVRYSRBTOE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141340
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1c(OCC)cccc1)C(=O)OC	PC-id_19655273	445.598	JTZJTHUYAHPJHD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141341
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_20175399	445.598	UEGFIFZDLWKTDB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141342
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1C1CCCCC1	EMOLS-id_3236436,MCULE-5042001712,SCHEMBL20936263,ZINC22_2725947,CoCoCo_2822417,PC-id_2161214	445.601	DUVIGZCJRCNRHJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-141343
CCNC(=NCc1nnc2n1CCC2)N1CCC(CC1)N(C(=O)OC(C)(C)C)CC1CC1	PC-id_109543242	445.601	YEKYULKGZQBFLO-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-141344
CCOC(=O)c1nn2c(n1)C(CC2C(O[Si](C(C)(C)C)(C)C)C)OCc1ccccc1	PC-id_141651223	445.627	XFMOMHOBSAWSKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141345
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@H]1C[C@H](c2c1n(nc2)C)CN=[N+]=[N-]	PC-id_134970994	445.632	NRFFDGCFULBDNL-VQTJNVASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141346
Brc1cc(Cl)c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_20413385	445.782	OVCYCRFGZMPASY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141347
Brc1c(Cl)cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_19687667	445.782	SIWSAMSBMWNMMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141348
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1297983908,EMOLS-id_334339246	445.876	AABCZYYJWIFKDL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141349
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_928089,ZINC22_2830629,MCULE-4280101590,TIMTEC550475,EMOLS-id_1124463,PC-id_2188871	445.876	XLVXTYSKKHILNB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141350
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4184915376,EMOLS-id_334342308	445.876	HCSYXZAUNDPJDU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141351
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3837278296,EMOLS-id_334337198	445.876	MJCBADHWOOUGQE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141352
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334341283,MCULE-7774802374	445.876	FWMXQMSXNIXRPV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-141353
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)ccc1OC	PC-id_16947314	445.894	XPXYMXGQWDEZFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141354
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)c(OC)cc1	PC-id_16947286	445.894	SDVQUZSAVOOWSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141355
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)ccc1F	PC-id_16947902	445.894	YXJVKUCTPVFYOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141356
COc1ccc(CCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1OC	EMOLS-id_324892171	445.894	MWOCCURETQZPFS-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141357
COc1ccc(OCCCc2nc3s/c(=Cc4c(F)cccc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324892674	445.894	FNKLUWKTQARERZ-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141358
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CCCOc1ccc(OC)cc1	MCULE-5948570444	445.894	FNKLUWKTQARERZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141359
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9587713459	445.894	MWOCCURETQZPFS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141360
n12c(=O)c(=Cc3cc(Cl)ccc3O)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-4105759745	445.921	MGYZYYYPIZEJNU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141361
Oc1ccc(Cl)cc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324825086	445.921	MGYZYYYPIZEJNU-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141362
Cc1ccc(cc1)NC(=O)C1CCc2nnc(n12)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134798681	445.922	QMXFJOHAIXFWIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141363
Clc1ccc(CNC(=O)Nc2n[nH]c3CN(S(=O)(=O)c4c(cccc4)C)Cc23)cc1	PC-id_68442894,SCHEMBL2924634	445.922	FXHZBLCAFJPNBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141364
Clc1ccc(CNC(=O)Nc2n[nH]c3CN(S(=O)(=O)Cc4ccccc4)Cc23)cc1	PC-id_68440317,SCHEMBL2917439	445.922	NEFLDBLRRLSOJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141365
C1Cc2nnc(n2C1C(=O)NCc1ccccc1)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134799776	445.923	SSLPHXSBMISZGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141366
O=C(Nc1n[nH]c2c1C(NC2)S(=O)(=O)c1cccc(c1)C)NCc1ccc(cc1)Cl	PC-id_141251734	445.923	SDRMBSFFGJZXFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141367
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C2C(CCCC2)C(=O)[O-])cc1	PC-id_74552259	445.939	IFIWAMBNKCVYDL-UHFFFAOYSA-M	00000010100010110000000010000000000000000000000000000000	25-01-141368
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)[C@@H]2[C@@H](CCCC2)C(=O)[O-])cc1	PC-id_28251738	445.939	IFIWAMBNKCVYDL-LSDHHAIUSA-M	00000010100010110000000010000000000000000000000000000000	25-01-141369
COc1ccc(Cn2nc(I)c3C(C)CCc23)c(Br)c1	EMOLS-id_330979067,MCULE-3108374055	447.109	LIUYGVVMVYNDEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141713
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)[C@@H]2[C@H](CCCC2)C(=O)[O-])cc1	PC-id_28251740	445.939	IFIWAMBNKCVYDL-GJZGRUSLSA-M	00000010100010110000000010000000000000000000000000000000	25-01-141370
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)[C@H]2[C@@H](CCCC2)C(=O)[O-])cc1	PC-id_28251742	445.939	IFIWAMBNKCVYDL-HUUCEWRRSA-M	00000010100010110000000010000000000000000000000000000000	25-01-141371
Clc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)[C@H]2[C@H](CCCC2)C(=O)[O-])cc1	PC-id_28251744,GD-id_ZINC19645441	445.939	IFIWAMBNKCVYDL-CABCVRRESA-M	00000010100010110000000010000000000000000000000000000000	25-01-141372
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3cccc(Cl)c3)o2)sc2c1CCC2	PC-id_4505662,ZINC22_16399063	445.942	NZTAMAAQQYOHOX-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-141373
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccc(Cl)cc3)o2)sc2c1CCC2	ZINC22_16429504,PC-id_4505659	445.942	VNITYYLJOKZKKG-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-141374
Clc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)N1CC(C)N(C[C@@H]1C(C)C)C	SCHEMBL16622355,PC-id_117997545	445.946	MOTQEODLSBCOER-PQJIZZRHSA-N	00000010100010101001000010000000000000000000000000000000	25-01-141375
C1CCC(C(C1)C(=O)N)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20339093,PC-id_135187039	445.962	GGYODCNEHFLZHB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141376
OC(=O)C1CCCCC1/C(=N/c1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCC2)/N	PC-id_142393459	445.962	WGSHWDGKHLCDHL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141377
Clc1ccc(C(=O)Nc2sc3c(n2)C(C(=O)NC2CC(CC(C2)C)(C)C)CC3)cc1	PC-id_16947368	446.005	GHHZNYLODRFYKG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141378
CN(CCN(c1ccccc1)Sc1cc(Cl)nc(c1)Nc1sc2c(n1)CCC2)C	PC-id_144988116	446.032	UZJJPPUMIUXIEE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-141379
CC(CO)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)C(F)F	PC-id_155278694	446.063	OBQBWAPGPXQWDS-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-141380
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NC(=O)OCC4=CN(N=N4)C	PC-id_149874974	446.127	CBYKQBNVZOPCSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141381
CC(C)NS(=O)(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1nn2CCCc2c1	PC-id_163688296	446.129	JQTZMGPVLLAGCH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-141382
CC(C)(C1=CC(=CN1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4)F	PC-id_164872301	446.142	GOCQOAQWVHVURB-QGZVFWFLSA-N	00000010110000110001000010000000000000000000000000000000	25-01-141383
CN1C(=CC(=N1)C2=CC(=CC=C2)OC)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	CHEMBL4437445,PC-id_155268579	446.17	OYDBYYYNYWYNIS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141384
CN1C(=CC(=N1)C2=CC=C(C=C2)OC)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	PC-id_155268643,CHEMBL4546988	446.17	PIUYNTYLODPPOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141385
Brc1sc(c2c1C(S)(S)C(C2(S)S)(F)F)Br	PC-id_89250418,SCHEMBL14114891	446.236	HMVGRUMXDTXFMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-141386
CCCNC(=C)N1CC2=C(C1)N=C(N2)C(=N)C3=C(C=C(C=C3)C4=C(C=C(C(=C4)F)C)CC)N	PC-id_154689152	446.259	JVHBEDVHBJKKOV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141387
Nc1ncc(COc2cc(/C=c/3sc4nccn4c3=O)c(Br)cc2O)cn1	CHEMBL4458779,PC-id_140897118	446.278	QJHWHQBFAVZJSK-CPSFFCFKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141388
Cc1ccc(OCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324868107	446.293	OYHXEWBMCJKPMT-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141389
Cc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_324868103	446.293	VTIVAXRAYFUAOS-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141390
Fc1cc(Br)ccc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324849907	446.293	HEDFGNYVFYCFFG-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141391
Fc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1Br	EMOLS-id_324845823	446.293	LNNSGTOQZSGSEJ-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141392
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)CCOc1ccccc1	MCULE-6075157175	446.293	HEDFGNYVFYCFFG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141393
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1ccc(cc1)C	MCULE-4372701994	446.293	OYHXEWBMCJKPMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141394
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)CCOc1ccccc1	MCULE-9024227267	446.293	LNNSGTOQZSGSEJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141395
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1ccc(cc1)C	MCULE-4034128442	446.293	VTIVAXRAYFUAOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141396
BrC1(C2SC=C(N2C1=O)C(=O)O)C(OC(=O)C)c1nc2SCCn2c1	PC-id_18183091	446.296	IWHXZOFSWFMQJJ-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-141397
BrC1C2SC=C(N2C1=O)C(=O)OC(OC(=O)C)c1nc2SCCn2c1	PC-id_23214968	446.296	NGUJMVDRPJHDOH-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-141398
BrC1([C@H]2SC=C(N2C1=O)C(=O)O)C(OC(=O)C)c1nc2SCCn2c1	PC-id_18661374,SCHEMBL2924700	446.296	IWHXZOFSWFMQJJ-VTGPFMDVSA-N	00001011100000000001001010000000000000000000000000000000	25-01-141399
BrC1[C@@H]2SC=C(N2C1=O)C(=O)OC(OC(=O)C)c1nc2SCCn2c1	PC-id_67571006,SCHEMBL8386919	446.296	NGUJMVDRPJHDOH-QDYJBQRPSA-N	00001011100000000001001010000000000000000000000000000000	25-01-141400
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)OCC)Br)C(=O)OC(C)(C)C	SCHEMBL18758631	446.336	KUEJFUHYSKZRBD-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141401
COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Br)c2)sc2c1CCC2	ZINC22_327055220	446.336	YROXHKRALXSJJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141402
COc1ccc(Br)cc1/C=c/1sc2nc(/C=C/c3cccs3)nn2c1=O	ZINC22_27022357,EMOLS-id_45970396	446.341	GBUHPHJSYZIICV-MSLGXNKOSA-N	00000000100100110001000010000000000000000000000000000000	25-01-141403
n12nc(nc1sc(=Cc1cc(Br)ccc1OC)c2=O)C=Cc1cccs1	MCULE-5007153014	446.341	GBUHPHJSYZIICV-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-141404
Clc1ccc(cc1Cl)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331220085	446.346	OLDUAZCYGIUKTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141405
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-9797592150,PC-id_18883978	446.35	GKNDZHYUCOAHHH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141406
Cc1ccccc1/C=c/1sc2nc(CCCOc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324917761	446.35	WYROSQKQOJZBPJ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141407
Cc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324915200	446.35	QEEFNEVROLNINR-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141408
Cc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324916737	446.35	BRBPNFHORCOMQV-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141409
CCc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1	EMOLS-id_324914695	446.35	YIBDQASMDQXKJC-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141410
CC(C)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324849393	446.35	DLPDDLMXIAGHLV-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141411
Clc1ccc(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)cc1	PC-id_16947380	446.35	ARDNLLGXHFARSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141412
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)ccc1Cl	PC-id_16947584	446.35	LWVBIXIFSIDDQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141413
Clc1c(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)ccc1)C	PC-id_16947438	446.35	ICTLBWMENNKKIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141414
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)c(cc1)C	PC-id_16947439	446.35	ZXXZZDWGANSXSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141415
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)ccc1C	PC-id_16947440	446.35	LUWPKYKESFRQPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141416
Clc1c(CNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)cccc1	PC-id_16947373	446.35	OHNBEXMMIKRMLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141417
n12c(=O)c(=Cc3ccc(cc3)CC)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-6956066552	446.35	YIBDQASMDQXKJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141418
n12nc(nc1sc(=Cc1ccccc1C)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-1558681926	446.35	WYROSQKQOJZBPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141419
n12nc(nc1sc(=Cc1ccc(cc1)C)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-4001160872	446.35	QEEFNEVROLNINR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141420
n12nc(nc1sc(=Cc1cccc(C)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-1694290871	446.35	BRBPNFHORCOMQV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141421
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-7634056055	446.35	DLPDDLMXIAGHLV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141422
CN=C(N1CCN(CC1)C(c1ccc(cc1)Br)C)NCc1nnc2n1CCC2	PC-id_109544746	446.387	VYMKDKNUAHIXRV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141423
CN=C(NC1CCN(CC1)Cc1ccc(cc1)Br)NCc1nnc2n1CCC2	PC-id_109832345	446.387	JJGNVABOHGGHHS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141424
C1CN(CCC1c1ccccc1C(F)(F)F)C(=O)c1n[nH]c2c1CN(C2)CC(F)(F)F	SCHEMBL20696007,PC-id_86269153	446.389	MPEBLJFKGNENLC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141425
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1ccccc1C(F)(F)F)N1CC(C1)(F)F	SCHEMBL2162133,PC-id_24772094	446.391	HEBOHGYGJVAGOW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-141426
[Se]C(=Nc1sc2CCCc2c1C(=O)OCC)NC(=O)/C=C/c1ccccc1	PC-id_22530497	446.401	GBGURNIROKJCBE-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141427
[Se]C(=Nc1sc2CCCc2c1C(=O)OCC)NC(=O)C=Cc1ccccc1	PC-id_6828891	446.401	GBGURNIROKJCBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141428
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccccc1C(F)(F)F)c2=O	MCULE-2450764472	446.402	NSJOGGHNGRDIFK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141429
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F)c2=O	MCULE-4711147390	446.402	GIXKWVBEUBLKJM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141430
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccccc1C(F)(F)F)c2=O	MCULE-4909965387	446.402	QCPJZACNJNRVKT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141431
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1cccc(c1)C(F)(F)F)c2=O	MCULE-5335785476	446.402	ATNKKQCCSRSEGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141432
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1cccc(c1)C(F)(F)F)c2=O	MCULE-6943249510	446.402	IVLAJOBKDXIESV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141433
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1cccc(c1)C(F)(F)F)c2=O	MCULE-7223970168	446.402	GINLPRQVRZCCRW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141434
n1(c2ccccc2C(F)(F)F)c(=O)cc(c(C(=O)Nc2sc3c(CCC3)c2C#N)n1)O	MCULE-3290016682,EMOLS-id_322820395	446.402	RZSXVLAMVXOFSC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141435
O=C(COc1ccccc1/C=c/1sc2ncnn2c1=O)Nc1ccccc1C(F)(F)F	PC-id_117588404,ZINC22_256055416	446.402	GIXKWVBEUBLKJM-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141436
O=C(COc1ccccc1/C=c/1sc2ncnn2c1=O)Nc1cccc(C(F)(F)F)c1	ZINC22_256055495,PC-id_117588409	446.402	IVLAJOBKDXIESV-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141437
O=C(COc1ccc(/C=c/2sc3ncnn3c2=O)cc1)Nc1ccccc1C(F)(F)F	PC-id_117588536,ZINC22_256055629	446.402	NSJOGGHNGRDIFK-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141438
O=C(COc1ccc(/C=c/2sc3ncnn3c2=O)cc1)Nc1cccc(C(F)(F)F)c1	PC-id_117588540,ZINC22_256055415	446.402	GINLPRQVRZCCRW-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141439
O=C(COc1cccc(/C=c/2sc3ncnn3c2=O)c1)Nc1ccccc1C(F)(F)F	PC-id_117588451,ZINC22_256055702	446.402	QCPJZACNJNRVKT-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141440
O=C(COc1cccc(/C=c/2sc3ncnn3c2=O)c1)Nc1cccc(C(F)(F)F)c1	PC-id_117588453,ZINC22_256055284	446.402	ATNKKQCCSRSEGF-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141441
O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)OC(=O)c1ccc(cc1)NCC1Cn2c(C1=O)ccc2	PC-id_100945055	446.407	DMOQYHWXZMABRB-RVLIQFCMSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141442
FC(F)(C(c1ccc(OCC2Oc3n(C2)c(c(n3)CC=O)CC)cc1)(C)C)C(F)(F)F	PC-id_78098313	446.411	CECMIXWXSRDBAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141443
FC(F)(C(c1ccc(OC[C@H]2Oc3n(C2)c(c(n3)CC=O)CC)cc1)(C)C)C(F)(F)F	PC-id_71525410	446.411	CECMIXWXSRDBAS-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141444
S(c1nn2C(CC(=O)Nc3cc(ccc3)C(F)(F)F)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_75668123	446.426	MLOWCIDQMCJIQR-UHFFFAOYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-141445
S(c1nn2[C@H](CC(=O)Nc3cc(ccc3)C(F)(F)F)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_51527042	446.426	MLOWCIDQMCJIQR-OAHLLOKOSA-M	00000011100000110001000010000000000000000000000000000000	25-01-141446
S(c1nn2[C@@H](CC(=O)Nc3cc(ccc3)C(F)(F)F)C(=Nc2n1)[O-])Cc1ccccc1	PC-id_51527043	446.426	MLOWCIDQMCJIQR-HNNXBMFYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-141447
c1(C(F)(F)F)c2CCCc2n(CCCNS(=O)(=O)c2ccc(cc2)NC(=O)OC)n1	PC-id_19615060,MCULE-5057802253,EMOLS-id_8869956,TIMTEC304384,ZINC22_36615109	446.444	MDKVMFDEGQOLCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141448
c1(C(F)(F)F)c2CCCc2nn1CCCNS(=O)(=O)c1ccc(cc1)NC(=O)OC	PC-id_19614851,ZINC22_36614867,MCULE-4341411146,EMOLS-id_8869540	446.444	HKDWREWKVYFKMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141449
c1(NC(=O)c2ccc(cc2F)F)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	EMOLS-id_24913611,ZINC22_23139623,PC-id_30862842,MCULE-9432840988,CoCoCo_5277807	446.445	HRFUWRZFKVPZID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141450
S1Cc2c(nn(c2NC(=O)c2cc(F)c(F)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053621	446.445	CUVAOJYCMVYELB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141451
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2F)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053692	446.445	RJOSLHRVLUFIRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141452
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)(C)C(=O)NC)C(=O)Nc1cc(c(cc1)F)F	PC-id_134599130,SCHEMBL20253039	446.447	UNBILOXWYQVVQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141453
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	PC-id_52340450,ZINC22_51364499	446.452	CAOLHYFLLGPFEU-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141454
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1	ZINC22_51364500,PC-id_52340451	446.452	CAOLHYFLLGPFEU-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141455
O=C(Nc1c(ccc(c1)C(=O)OC)C(=O)OC)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861300	446.452	CAOLHYFLLGPFEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141456
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(N)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524090	446.47	FIRSJVPAKLMPBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141457
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)F)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015623,SCHEMBL1205098	446.472	KEQKZIAWXSWFSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141458
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1F)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015719,SCHEMBL1205670	446.472	BKFZNKJYQAXSTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141459
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)F	PC-id_11859042,SCHEMBL3457275	446.472	YKPQDVARAOYHTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141460
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1ccccc1F	PC-id_142675323	446.472	JXVHZGRWFXMDTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141461
Fc1ccc(cc1)C(=O)Nc1n(nc2c1CN(C2(C)C)C(=O)OC(C(C)(C)C)C)C(=O)O	PC-id_69815891,SCHEMBL6532636	446.472	YMDFKMVBGNNNET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141462
CCOC(=O)Cc1c(C=C2C(=O)Nc3c2ccs3)[nH]c(c1CCC(=O)OCC)C(=O)O	PC-id_145832496	446.474	QVGHRYQWWGMNDA-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-141463
CCOC(=O)Nc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c1	EMOLS-id_35141483,PC-id_41614320,MCULE-2498064394,ZINC22_10693094	446.474	MDYUERDDVIZRQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141464
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OC)cc1)C(=O)OC	PC-id_41970046	446.474	IBYXJWLCRIFTMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141465
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1)C)C(=O)N	PC-id_24498627	446.477	OPNQJRWMVVPBRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141466
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)CCO)sc2CCCc2c1C#N	EMOLS-id_333662922,MCULE-2439356544	446.48	NKESGFHFTPEHPZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141467
c1(NC(=O)COc2nonc2C(=O)NCCN2CCOCC2)sc2CCCc2c1C#N	MCULE-6241181547,EMOLS-id_333717051	446.48	VPACYYANPNMYNH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141468
NC(=O)C1CCN(CC1)c1nc(N)c(c(n1)Nc1sc2c(c1C(=O)N)CCC2)[N+](=O)[O-]	GD-id_ZINC41301764,PC-id_52127480	446.483	YTRSCGQBUUQBJI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-141469
CCCN1CCN(C(C1)C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccc(cc1F)F	PC-id_145493469	446.494	KTKPSSMLLOGRNR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141470
CC(=O)Oc1ccc(CC(NC(=O)c2cc3CCCc3n2Cc2ccccc2)C(=O)O)cc1	MCULE-4816114480,EMOLS-id_328216185	446.495	RSRLWXWKYGGLPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141471
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)C(=O)OCC	PC-id_16947188	446.495	OUBNPIFKWPTPMT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141472
COC(=O)C(C)NC(=O)c1cncc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328223100,MCULE-4274001658	446.498	VRFVSOLSCHUOPH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141473
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)c1ccccc1)c1ccc(cc1)C	PC-id_141257354	446.498	IJLQJCYEKAQDNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141474
O(C(=O)N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)Cc1ccccc1)C(C)(C)C	PC-id_71477106	446.498	GWYKWKMSIFLICF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141475
O(C(=O)N1Cc2n(nc(NC(=O)c3ccc(cc3)C)c2C1)C(=O)c1ccccc1)C(C)(C)C	PC-id_71476794	446.498	YDQAQHHQXJRBAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141476
O(C(=O)N1Cc2n(nc(NC(=O)Cc3ccccc3)c2C1)C(=O)c1ccccc1)C(C)(C)C	PC-id_71476945	446.498	CKUFIQBKKQMCGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141477
c12c(CCC1C(=O)OCC)sc(NC(=O)Cc1csc(NC(=O)c3ccco3)n1)n2	EMOLS-id_29281050,MCULE-4892115636,PC-id_45503576	446.5	CCUYDADPDBMSMD-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-141478
c1(NC(=O)CS(=O)CC(=O)Nc2c(C)ccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-4452212025,EMOLS-id_320647160	446.5	TUWNFCZKNUIWLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141479
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccc(cc1)SC)C(=O)[O-]	PC-id_89437343,SCHEMBL14775199	446.5	OLOHOSXSPIXKAZ-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-141480
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1c[nH]c(=O)n(c1=O)Cc1cccs1	PC-id_121026320	446.5	FAMPHROFPVCHPL-UHFFFAOYSA-N	00000010100100100001000010000000000000000000000000000000	25-01-141481
CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)nc12	CoCoCo_5284845,ZINC22_36709168,PC-id_51868346	446.5	CCUYDADPDBMSMD-LLVKDONJSA-N	00000010101000000001000010000000000000000000000000000000	25-01-141482
CCOC(=O)[C@H]1CCc2sc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)nc12	ZINC22_36709170,CoCoCo_5284846,PC-id_51868347	446.5	CCUYDADPDBMSMD-NSHDSACASA-N	00000010101000000001000010000000000000000000000000000000	25-01-141483
NC(=O)c1c(NC(=O)COC(=O)CCc2nc(c3ccsc3)no2)sc2c1CCC2	EMOLS-id_43974775,PC-id_29949319,MCULE-8652794530,ZINC22_22016263	446.5	VTWFKYUNYWPFAK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-141484
s1c2c(CCC2)c(c1NC(=O)c1scc(Cn2nc([N+](=O)[O-])cc2C)c1)C(=O)OC	PC-id_19496601	446.5	DYJDDMHCTVJVIR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-141485
n12c(=O)c(=Cc3ccc(N(=O)=O)s3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-1485692521	446.502	FDCTXHCRMMYYPV-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-141486
[O-][N+](=O)c1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)s1	EMOLS-id_324824061	446.502	FDCTXHCRMMYYPV-LGMDPLHJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-141487
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ccnc(n3)C#N)[nH]nc2C1(C)C)c1ccccc1	BindingDB-id_218960,SCHEMBL3504183,PC-id_59474178,BindingDB_PC-id_59474178	446.505	UQHBHFFBUUMTEZ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141488
N#Cc1nccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccccc1)CN(C)C	SCHEMBL3504186,PC-id_68668660	446.505	UQHBHFFBUUMTEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141489
s1c2c(CCC2)c(c1NC(=S)NCCCn1nc(cc1C)C(F)(F)F)C(=O)OC	PC-id_20174808	446.51	PDJGRDJDBDJKEP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141490
s1c2c(CCC2)c(c1NC(=O)CSc1oc(c2ccc(F)cc2)cn1)C(=O)OCC	PC-id_16581174	446.515	LMFSYPNPMAZKAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141491
c1(c2CCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1c(OC)ccc(OC)c1	TIMTEC385405,PC-id_17377343,MCULE-4876733679,EMOLS-id_4133225	446.517	PPPQPAVWLQXOFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141492
c1(NC(=O)c2ccc(cc2)OC(=O)OCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387217,MCULE-3422672330	446.517	SHTSHZMUDBJDQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141493
COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCC3)c1	CoCoCo_6833221,ZINC22_19644662,PC-id_28251383	446.517	PPPQPAVWLQXOFR-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141494
COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCC3)c1	ZINC22_19644659,PC-id_28251380,CoCoCo_6833222	446.517	PPPQPAVWLQXOFR-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141495
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OCC(C)C)cc1)C(=O)N	PC-id_41113615	446.517	NOCZZQCYTZLYGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141496
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OCCCC)cc1)C(=O)N	PC-id_42965196	446.517	GAAKUKPYIFKTNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141497
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCOc1c(OCC)cccc1)C(=O)N	PC-id_42965983	446.517	BYXRUKOLYJIJLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141498
CCOC(=O)c1cc(C(=O)c2ccc(c3ccccc3)cc2)n2c(=O)/c(=C/N(C)C)/sc12	ZINC22_33414553	446.518	PEAASQZIBQNLFT-QNGOZBTKSA-N	00000000100000110001100010000000000000000000000000000000	25-01-141499
CCOC(=O)c1cc(C(=O)c2ccccc2)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)/sc12	ZINC22_33436818	446.518	TZKZVRDACRNQPK-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-141500
CCOC(=O)c1cc(n2c1sc(=Cc1ccc(cc1)N(C)C)c2=O)C(=O)c1ccccc1	MCULE-7605770375,EMOLS-id_26189727	446.518	TZKZVRDACRNQPK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141501
CCOC(=O)c1cc(n2c1sc(=CN(C)C)c2=O)C(=O)c1ccc(cc1)c1ccccc1	EMOLS-id_26156739,MCULE-7666845092	446.518	PEAASQZIBQNLFT-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-141502
COC(=O)c1c(NC(=O)CSc2nnc(c3ccc(F)cc3)n2C)sc2c1CCC2	MCULE-1283425556,ZINC22_9798009,PC-id_16320799,EMOLS-id_5039411,CoCoCo_3096988	446.518	QHNBPPGHTRFVEW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141503
s1c2c(CCC2)c(c1NC(=O)COc1ccc(c2ccc(cc2)C#N)cc1)C(=O)OCC	PC-id_16521231	446.518	PHWOZDLJBZGTMH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-141504
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1c(F)cccc1)C(=O)OCC	PC-id_41219762	446.518	GFZYQSZHTCSPTI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141506
c1(NC(=O)c2ccc(cc2OC)OC)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053140,MCULE-8659497529,EMOLS-id_24913381	446.52	OOZQBDSEUVAXOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141507
c1(NC(=O)c2cccc(OC)c2OC)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913335,MCULE-8866715742,PC-id_44053060	446.52	POLZOXRWKQPXBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141508
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCO)sc2CCCc2c1C#N	MCULE-1291687012,EMOLS-id_331929118	446.52	CEDITQWWGXJUDQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141509
CC1(CN(C1)C)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	PC-id_135315476,SCHEMBL20484962	446.52	JLCMAQHYAMDNKX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141510
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)N(C)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485289,PC-id_135315763	446.52	CABOMMUIXDDELT-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-141511
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CCN(C1)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484794,PC-id_135315338	446.52	QUBCPEGCVIWHFP-CAWMZFRYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141512
C[C@@H]1[C@@H](CN1C)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@](C)(C(=O)NO)S(=O)(=O)C	PC-id_135315389,SCHEMBL20484857	446.52	MDOPAIYFYYFKED-QLVMHMETSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141513
C[C@@H]1[C@@H](CN1C)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484859,PC-id_135315391	446.52	MDOPAIYFYYFKED-ZKSQUDLQSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141514
C[C@H]1[C@@H](CN1C)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@](C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484963,PC-id_135315477	446.52	MDOPAIYFYYFKED-LUQKVYGDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141515
C[C@H]1[C@@H](CN1C)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484966,PC-id_135315480	446.52	MDOPAIYFYYFKED-ONDKPXHOSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141516
C[C@@H]1[C@H](CN1C)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@](C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484999,PC-id_135315508	446.52	MDOPAIYFYYFKED-LDBYXDLTSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141517
C[C@@H]1[C@H](CN1C)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485000,PC-id_135315509	446.52	MDOPAIYFYYFKED-XZFDIXFUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141518
CCN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	PC-id_135315436,SCHEMBL20484916	446.52	MTAWDDBMNGWDNS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141519
CCN1CC(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)C1	SCHEMBL20484913,CHEMBL4443098	446.52	MTAWDDBMNGWDNS-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141520
COc1cccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)c1OC	PC-id_30862367,ZINC22_23139061,CoCoCo_5277608	446.52	POLZOXRWKQPXBC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141521
COc1cccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)c1OC	ZINC22_23139064,CoCoCo_5277609,PC-id_30862370	446.52	POLZOXRWKQPXBC-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141522
COc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)c(OC)c1	CoCoCo_5277665,ZINC22_23139215,PC-id_30862510	446.52	OOZQBDSEUVAXOG-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141523
COc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)c(OC)c1	ZINC22_23139212,PC-id_30862507,CoCoCo_5277664	446.52	OOZQBDSEUVAXOG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141524
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)N(C)C)C	SCHEMBL18587844	446.52	CABOMMUIXDDELT-HXUWFJFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-141525
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(C)CN(C1)C)C	SCHEMBL18588030	446.52	JLCMAQHYAMDNKX-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141526
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CCN(C1)C)C	SCHEMBL20484795	446.52	QUBCPEGCVIWHFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141527
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(OC)cc(OC)c1	PC-id_44053142	446.52	NZNCONYYVYLEON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141528
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(OC)c(OC)cc1	PC-id_44053141	446.52	NKWXMRIQVHQURG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141529
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)COc1ccc(OC)cc1	PC-id_44053078	446.52	HKWIWYJKZIAOOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141530
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)COc1cc(OC)ccc1	PC-id_44053077	446.52	SSHCNIFMRKPZBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141531
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)COc1c(OC)cccc1	PC-id_44053076	446.52	SNLNLAQRSFEGHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141532
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)cc2)CC(=O)NCCOC)C1	PC-id_44053017	446.52	PIKCCILHYHRNPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141533
S1Cc2c(nn(c2NC(=O)CCC(=O)OCC)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053608	446.52	AQBUGORAVJBMHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141534
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_321805435,MCULE-7372120717	446.521	ZBWVGCNCMDSILX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141535
COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3sc4c(c3C#N)CCC4)cc2)cc1	PC-id_32088301,ZINC22_24776057,CoCoCo_3686530,EMOLS-id_18872768,MCULE-2595194426	446.521	NZQQOOMKVKRELS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141536
CCN1C[C@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(OC)ncc1F	SCHEMBL16213653,PC-id_117680294	446.522	ZLXVWKLEQMJRJI-STQMWFEESA-N	00000010100010100001000010000000000000000000000000000000	25-01-141537
CCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(OC)ncc3F)n[nH]c2C1(C)C	PC-id_59333920,BindingDB-id_546040,SCHEMBL3331006,BindingDB_PC-id_59333920	446.522	ZLXVWKLEQMJRJI-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141538
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(CC1C)C)F	SCHEMBL16627166,PC-id_118001288	446.522	SIVNLXRGWYKZKR-PZORYLMUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141539
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@H](C)N(C[C@@H]1C)C)F	PC-id_59333928,SCHEMBL7015843	446.522	SIVNLXRGWYKZKR-STQMWFEESA-N	00000010100010100001000010000000000000000000000000000000	25-01-141540
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C)F	SCHEMBL2881453,PC-id_25154948	446.522	SIVNLXRGWYKZKR-OLZOCXBDSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141541
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2[C@H](CN(C(C2)CCO)C)C)(C)C)nc(nc1)C	PC-id_59333973,SCHEMBL3322895	446.522	JSDREPFUPZMFDP-NBFOIZRFSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141542
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2[C@H](CNC(C2)CCO)C)(C)C)nc(nc1)CC	SCHEMBL11913287,PC-id_68164452	446.522	YSBSFCUAEXTNCE-UEWDXFNNSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141543
c1(NC(=O)COc2nonc2CC(=O)NCCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_333688656,MCULE-4087711455	446.523	MDRCMFHSJBKWSS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141544
c1(NC(=O)COc2nonc2C(=O)NCCCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_333717052,MCULE-7726048102	446.523	XDZGNHXXHISGEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141545
NC[C@@H](C(=O)N1Cc2c(C1)cnn2C)NS(=O)(=O)c1cccc(c1C)N1CCCC1=O	PC-id_70662441,SCHEMBL12096052	446.523	LFBLKLCFKIUBRG-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141546
S(=O)(=O)(NC(C(=O)N1Cc2n(ncc2C1)C)CN)c1c(c(N2CCCC2=O)ccc1)C	PC-id_77892538	446.523	LFBLKLCFKIUBRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141547
Cc1c(cccc1NCc1cc2c(s1)CCC2O)c1n[nH]c(=O)c(c1)Nc1ncncc1	PC-id_91156379	446.525	ZNKQTOTYGLOEHG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141548
CCOC(=O)c1c(NC(=O)CNC2(CCOCC2)c2ccc(cc2)F)sc2c1CCC2	PC-id_86899855	446.535	CHORKOHBAWQBQX-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-141549
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CCCOc1ccc(cc1)C(=O)OC	EMOLS-id_186655700,MCULE-7878750655	446.54	FUTJEEFYAUCGGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141550
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(SC)cc1)C(=O)N	PC-id_24376972	446.54	VZQATTNDCCJXHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141551
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)OC	PC-id_54788576	446.54	FCTQKJNINHISPN-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141552
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_76195936	446.54	FCTQKJNINHISPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141553
NC(=O)CCCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CC1)CN1CCOCC1	PC-id_118368825,SCHEMBL17080559	446.541	HZKAZPDUWHNDDZ-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-141554
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)C1CN(C(=O)C1)c1ccc(c(c1)C)C	PC-id_92109429	446.541	GBJAJXRUEMWKBD-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-141555
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)c1ccccn1	SCHEMBL14055683,PC-id_89237116	446.543	NYQKCTGEFAYYLJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-141556
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1occc1)C(=O)OC	PC-id_19724360	446.543	DDCOFQJSVPSQBE-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141557
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1occc1)C(=O)OC	PC-id_19724476	446.543	HJQLCNPCYAERSG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141558
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCC)c(OCC)cc1)C(=O)OC	PC-id_16527884	447.501	AUHIIAZAEXLKDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141790
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1occc1)C(=O)OCC	PC-id_4821915	446.543	DVAAGSBUGDANRS-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141559
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC)C(=O)OC	PC-id_19726132	446.543	YPAWFSQYEWZUPU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141560
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)C)C(=O)OCC	PC-id_4817842	446.543	UILGPEVCOZTUEE-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141561
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_19654524	446.543	ZARXLTIAVHPXQF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141562
c1(NC(=O)CSc2c(ccc(c3ccc(cc3)OC)n2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_3750198,ZINC22_8451128,CoCoCo_6930123,MCULE-1399330898,ChEMBL-DNDi_CHEMBL1391937,SPECS-id_AM-807/14147382,PC-id_1773611,CHEMBL1391937,STOCK2S-97768	446.545	ZAEIQNTXVWJMJZ-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-141563
C=C/C=C(/CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C=C	PC-id_144762934	446.545	RCCRGZQZDVZAHB-NGYBGAFCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141564
CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	PC-id_143492475	446.545	DRAPUDHCQNOIEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141565
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	SCHEMBL1205139,BindingDB_PC-id_24765900,PC-id_24765900	446.545	DRAPUDHCQNOIEX-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141566
O=C(N1n2c(N(C1CCCC)Cc1ccc(cc1)c1c(cccc1)C(=O)N)nc(c2C)C)N	PC-id_57066262	446.545	TYWPMPVUZLANNA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141567
O=C(Nc1cc(C)ccc1C)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_10182150,SCHEMBL2920137	446.545	OJERHKUZFMXLFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141568
CN(C)c1cc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)nc(C)n1	BindingDB-id_218928,SCHEMBL1944078,BindingDB_PC-id_59474184,PC-id_59474184	446.548	AJNCSFNCSWSEDA-FUHWJXTLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-141569
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1cc(nc(n1)C)N(C)C)NC1CC1c1ccccc1	PC-id_68668421,SCHEMBL3503374	446.548	AJNCSFNCSWSEDA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-141570
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385946,MCULE-2391148630	446.56	KMGODKXOQDKGRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141571
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(OC)c(OCC)cc1)CC)C(=O)OC	PC-id_16608729	446.56	APGVHEQUACCGHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141572
c1(NC(=O)c2ccccc2c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335402,MCULE-6391684257	446.561	XFVGFHNCGWCUEU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-141573
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335651,MCULE-3349520315	446.561	QMPBPOVBBPMICI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-141574
c1(NC(=O)C(=Cc2ccc(cc2)OCC)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-4949094390	446.561	XVCGJFNWLDGBMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141575
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6296740182	446.561	NTIHDVMGTNVRRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141576
CCOc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C(=O)NC)c2ccccc2)cc1	EMOLS-id_334331607	446.561	XVCGJFNWLDGBMZ-LTGZKZEYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141577
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334329765	446.561	NTIHDVMGTNVRRY-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141578
s1c2c(CCC2)c(c1N(Cc1cc(OC)c(OCCc2ccccc2)cc1)C(=O)C)C#N	PC-id_50887371	446.561	UIZJQUIFZZNREF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141579
NNC(=O)c1c(NC(=O)c2cccc(c2)CN(CC(O)C)CC(O)C)sc2c1CCC2	SCHEMBL266625,PC-id_23107611	446.563	FOUWSARPXJZTEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141580
c12c(CCC1C(=O)N1CCN(CC1)c1ccccc1)sc(NC(=O)c1ccc(cc1)C)n2	MCULE-6032289159,Chemmine_45422,EMOLS-id_12347069,PC-id_16947504	446.565	RXXTUPIXXBABLG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141581
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCN(c3ccccc3)CC2)cc1	CoCoCo_5124803,ZINC22_8979766,PC-id_40894810	446.565	RXXTUPIXXBABLG-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141582
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC22_8979767,PC-id_40894811,CoCoCo_5124802	446.565	RXXTUPIXXBABLG-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141583
O(C1CC[NH+](CC1)CCc1ccccc1)c1ccc(cc1)C(=O)NCc1n2CCCc2nn1	PC-id_25460850	446.565	WROFFCQXZLBLGA-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-141584
s1c2CCC(C(=O)N3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1ccccc1	PC-id_16947029	446.565	BMUMBAKOUAEBFJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141585
CCCCS(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_24751603,SCHEMBL4279831	446.566	DCUGWTWTYUNVRA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141586
CCC[N@H+](Cc1nnc(o1)c1cccs1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41040689,GD-id_ZINC09375901	446.566	ZLZIHHWCWCMFHC-UHFFFAOYSA-O	00000010100100000001100010000000000000000000000000000000	25-01-141587
CCC=CCC(C=CC1C(Cc2c1cc(o2)CCCCC(=O)OC)OC1CCCCO1)O	PC-id_88703539	446.576	OXMAONOXFKIGAN-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141588
CC/C=CC[C@H](/C=C/C1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O	SCHEMBL10963687	446.576	OXMAONOXFKIGAN-NLJUIBFESA-N	00000010100010000000000010000000000000000000000000000000	25-01-141589
CC/C=CC[C@@H](/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O	SCHEMBL10991152	446.576	OXMAONOXFKIGAN-KNQDMSFDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141590
CCC=CC[C@@H](C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O	SCHEMBL10991155,PC-id_57179636	446.576	OXMAONOXFKIGAN-UQSUUFNWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141591
CCCCCC(=O)/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC	PC-id_13216471,SCHEMBL10994999	446.576	UOMYVDQINDDJPS-PGLLGQENSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141592
O(C1C(c2c(oc(c2)CCCCC(=O)OC)C1)C=CC(=O)CCCCC)C1OCCCC1	PC-id_73178887	446.576	UOMYVDQINDDJPS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141593
O([C@H]1C(c2c(oc(c2)CCCCC(=O)OC)C1)/C=C/[C@H](O)CC=CCC)C1OCCCC1	PC-id_70481721	446.576	OXMAONOXFKIGAN-HEUMYNISSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141594
O([C@H]1[C@@H](c2c(oc(c2)CCCCC(=O)OC)C1)/C=C/[C@@H](O)CC=CCC)C1OCCCC1	PC-id_70487525	446.576	OXMAONOXFKIGAN-TZJONRPASA-N	00000010100010000000000010000000000000000000000000000000	25-01-141595
O([C@H]1[C@@H](c2c(oc(c2)CCCCC(=O)OC)C1)C=CC(=O)CCCCC)C1OCCCC1	PC-id_57251399	446.576	UOMYVDQINDDJPS-ZJBJZFMFSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141596
c1(NC(=S)NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-9338508143,PC-id_19188595	446.583	LNJWKRGEDUUQEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141597
c1(NC(=S)NC(=O)COc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_19188269,MCULE-3698708462	446.583	OVRMMWDFIULBTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141598
c1(NC(=S)NC(=O)COc2ccc(c(C)c2)C(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_19188140,MCULE-8691453854	446.583	YUWKXPKRBSMDBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141599
O=C(COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)NCc1cccs1	ZINC22_10932771,MCULE-2317350253,PC-id_41733005,EMOLS-id_33881468	446.583	RMPXGQNWYSJLPX-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-141600
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)NC(=O)OCC	PC-id_16838852	446.583	NWHWUYBMWQZPKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141601
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_41086298	446.583	NISWDYPNAYMPGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141602
s1c2c(CCC2)c(c1NC(=O)CCCSCc1ccccc1)C(=O)NC(=O)OCC	PC-id_41581257	446.583	KLGJCCGXVYJDCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141603
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OC(CC)C)cc1)C(=O)OCC	PC-id_17141518	446.583	BMMJEKYCDUTUBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141604
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCCC)cc1)C(=O)OCC	PC-id_4936530	446.583	MFLZZISSCHBQQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141605
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1)C(=O)OCC	PC-id_4937405	446.583	FJYDAARVMRTLHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141606
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCCCC)cc1)C(=O)OC	PC-id_4935643	446.583	CRESVMQRCBHLDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141607
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCC(C)C)cc1)C(=O)OC	PC-id_4949009	446.583	ANFGBJRGNXEJBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141608
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCC(C)C)ccc1)C(=O)OCC	PC-id_17140549	446.583	VRCVLPQQUHBGMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141609
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OC(CC)C)ccc1)C(=O)OCC	PC-id_17150019	446.583	FVPNYFVUQVUFIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141610
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCCC)ccc1)C(=O)OCC	PC-id_4957037	446.583	JMXYNDYHSQHQDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141611
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCC(C)C)ccc1)C(=O)OC	PC-id_4981938	446.583	NCCPCEOEAZRFIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141612
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCCC)cccc1)C(=O)OCC	PC-id_4941435	446.583	SKMMRWLQSMOUSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141613
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCC(C)C)cccc1)C(=O)OCC	PC-id_4945863	446.583	ALMQTPNNWDFRMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141614
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCC(C)C)cccc1)C(=O)OC	PC-id_4944453	446.583	ZKNDLLZIDNHFIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141615
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCCCC)cccc1)C(=O)OC	PC-id_4947054	446.583	LEGQVTYRVBDMFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141616
c1(NC2CCCC2)c(cnc(SC)n1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328014851,MCULE-1088111735	446.586	FXOUOCAZNIVLBY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-141617
c1(NC(=O)c2ccccc2SCC)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913399,PC-id_44053204,MCULE-5183283591	446.586	JNSDASNAVVBSFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141618
c1(NC(=O)CSCc2ccccc2)c2CSCc2nn1CC(=O)NCC1CCCO1	MCULE-2878966394,PC-id_44053179,EMOLS-id_24913391	446.586	YYTMDAFIBRTGGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141619
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)O)CCC3)nnc1C1CCCCC1	SCHEMBL21082569,PC-id_138706284	446.586	FMVKSJFQTSBSKG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-141620
CCSc1ccccc1C(=O)Nc1c2c(nn1CC(=O)NC[C@@H]1CCCO1)CSC2	PC-id_30862555,CoCoCo_5277684,ZINC22_23139271	446.586	JNSDASNAVVBSFL-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141621
CCSc1ccccc1C(=O)Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2	ZINC22_23139274,PC-id_30862559,CoCoCo_5277685	446.586	JNSDASNAVVBSFL-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141622
O=C(Cn1nc2c(c1NC(=O)CSCc1ccccc1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277677,PC-id_30862535,ZINC22_23139248	446.586	YYTMDAFIBRTGGH-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141623
O=C(Cn1nc2c(c1NC(=O)CSCc1ccccc1)CSC2)NC[C@@H]1CCCO1	ZINC22_23139244,PC-id_30862533,CoCoCo_5277676	446.586	YYTMDAFIBRTGGH-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141624
s1c2c(CCC2)c(c1NC(=O)[C@@H](N(CC(=O)Nc1c(SC)cccc1)C)C)C(=O)N	PC-id_38214193	446.586	GLOLZPBUNDGECB-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141625
s1c2c(CCC2)c(c1NC(=O)[C@H](N(CC(=O)Nc1c(SC)cccc1)C)C)C(=O)N	PC-id_38214197	446.586	GLOLZPBUNDGECB-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141626
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)Nc1c(SC)cccc1)C)C)C(=O)N	PC-id_85502273	446.586	GLOLZPBUNDGECB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141627
s1c2c(CCC2)c(c1NC(=O)CSc1ncnc(N2CCCCC2)c1)C(=O)OCC	PC-id_45546022	446.586	UUWLUJSWFHCKOO-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-141628
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC=C)C(=O)OC	PC-id_20125449	446.586	ZLRQZYUPOGPLNF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-141629
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)/C(=N/NC(=O)c1sc2CCCc2c1N)/C	PC-id_51032778	446.586	YRAGELLYQYPIQX-OEAKJJBVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141630
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=NNC(=O)c1sc2CCCc2c1N)C	PC-id_75601428	446.586	YRAGELLYQYPIQX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141631
CCCCC[C@@H](c1c(CN(CCNC)C)nn2c1CCC2)CCCCOCC(F)(F)F	PC-id_139456668,SCHEMBL21321089	446.593	RQRDYKQACGBNLC-LJQANCHMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141632
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7910283910,EMOLS-id_334333090	446.604	WNTTYDDMSOTOFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141633
c1(NC(=O)CCc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329771,MCULE-9596351724	446.604	OHZVSDGGNHEUMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141634
Cc1ccccc1C(c1ccccc1)N1CCN(CC1)C(=O)c1c(c2c(s1)CCC2)OC	PC-id_91956486	446.604	RVTZCQDNUZNVPY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141635
s1c2CCC(c2nc1C)C(=O)Nc1ccc(C[C@H]2C[C@H](CC2)[C@H](O)c2ccccc2)cc1	PC-id_58126643	446.604	WSWBOUQCFZDQDQ-SKMOYONUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141636
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(CC1)C(=O)N1CCCCCC1	PC-id_16338026,MCULE-3573666563,EMOLS-id_11779062	446.606	XTEUSPREPPZCCG-UHFFFAOYSA-N	00000010100010000100000010000000000000000000000000000000	25-01-141637
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1	PC-id_41173477,ZINC22_9683384,CoCoCo_4233209,CoCoCo_4233208	446.606	XTEUSPREPPZCCG-HNNXBMFYSA-N	00000010100010000100000010000000000000000000000000000000	25-01-141638
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1	PC-id_41173479,CoCoCo_4233211,CoCoCo_4233210,ZINC22_9683387	446.606	XTEUSPREPPZCCG-OAHLLOKOSA-N	00000010100010000100000010000000000000000000000000000000	25-01-141639
COc1cc(CNCc2nc3n(c2)CCS3)ccc1OC[C@H](CN1CCCCCC1)O	CoCoCo_1395530	446.606	MILNGXDZICDRPF-FQEVSTJZSA-N	00000010100000110101000010000000000000000000000000000000	25-01-141640
COc1cc(CNCc2nc3n(c2)CCS3)ccc1OC[C@@H](CN1CCCCCC1)O	CoCoCo_1395531	446.606	MILNGXDZICDRPF-HXUWFJFHSA-N	00000010100000110101000010000000000000000000000000000000	25-01-141641
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)CN(C)C(=O)OC(C)(C)C)C#N	PC-id_56526428	446.606	NLLUTUGTZSBDAS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141642
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)C(NC(=O)OC(C)(C)C)C)C#N	PC-id_60254060	446.606	IHOATINNGGACRA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141643
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NCCCOC(C)C)C#N	PC-id_56527224	446.606	WAISJOIUQKPYOA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141644
s1c2c(CCC2)c(c1NC(=O)C(N1CC(CCC1)C(=O)NC1CCCCC1)C)C(=O)N	PC-id_56172754	446.606	ARZLVOZUPSOGFF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141645
S1c2n(CC1)cc(n2)CNCc1cc(OC)c(OCC(O)CN2CCCCCC2)cc1	PC-id_45212962	446.606	MILNGXDZICDRPF-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-141646
Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)n(C2CCCCC2)c1C	CoCoCo_4182323,ZINC22_9549854,PC-id_41119598	446.629	LMTLVSYHFXRAJM-AWEZNQCLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-141647
Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)n(C2CCCCC2)c1C	PC-id_41119600,CoCoCo_4182324,ZINC22_9549856	446.629	LMTLVSYHFXRAJM-CQSZACIVSA-N	00000010100010000001100010000000000000000000000000000000	25-01-141648
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nc(c(n1C1CCCCC1)C)C	EMOLS-id_11788147,PC-id_16344451,MCULE-5443500914	446.629	LMTLVSYHFXRAJM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-141649
O=C(C1Nc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1csnc1C	PC-id_140882910	446.642	JJUXRIPTDUHCBH-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141650
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1csnc1C	PC-id_140883030	446.642	XUBBBYBQYOBBTE-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141651
CC(=NC1CCC(CC1)N(C)C)c1c(sc2c1C(CC2)CC(=O)NCCCO)NC=C	PC-id_137248287	446.649	ZNEMPIBOWDFWHV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-141652
Ic1c(C(=O)NNC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_40394449	446.69	ISYFKYVSGIZLEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141653
NC(=O)c1c(NC(=O)c2cc(I)ccc2Cl)sc2c1CCC2	PC-id_4503437,ZINC22_16385307	446.69	BPORVVGXENOMFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141654
c1(NC(=O)c2cc(Br)ccc2Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	CoCoCo_2666493,PC-id_4351445,EMOLS-id_16383078,MCULE-4948566598	446.746	NTELFLPOMGTTEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141655
CCC[C@@H]([C@@H](CCSc1c[nH]c2c1[C@H](N)C=C2)CC)CCCCCCC(C(C)C)(C)C	UNPD79521	446.775	OFVXCTULEOBUSB-WXFUMESZSA-N	00000011100000000000000010000000000000000000000000000000	25-01-141656
S(c1c[nH]c2C=CC(N)c12)CCC(CC)C(CCC)CCCCCCC(C)(C)C(C)C	CNP0124166	446.775	OFVXCTULEOBUSB-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-141657
Clc1c(cc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2ccc(F)cc2)cc1)C	PC-id_46872359	446.882	ICUQCRGRIIJFKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141658
Clc1cc(NC(=O)CC2Sc3n(nc(n3)COc3ccc(cc3)C)C2=O)ccc1F	PC-id_46872015	446.882	FFJVPLMXIPDRGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141659
CCC1=Nn2c(C1=Nc1cc(NC(=O)CCCC(=O)O)c(c(c1)Cl)O)nc(n2)C(C)C	PC-id_136054794,SCHEMBL12732239	446.887	VGYJPPUXQYMBHY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-141660
Clc1ccc(OCc2c(noc2C)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_19443651	446.904	NQTYETOBBYPHRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141661
Clc1cc(OCc2c(noc2C)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_19443954	446.904	SEOFOXCFSVFFLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141662
Clc1c(OCc2c(noc2C)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_19443349	446.904	ZMAKTLJJUPOMEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141663
c1(NC(=O)c2cc(Cl)ccc2OC)c2CSCc2nn1CC(=O)NCc1ccco1	MCULE-7482731025,ZINC22_23139374,CoCoCo_5277721,PC-id_30862634,EMOLS-id_24913465	446.907	BJJPPLAYVQNVGS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-141664
Clc1c([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	CoCoCo_3156447,PC-id_2496045	446.907	AHJGCEZLJXUEGS-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141665
Clc1c([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_2496049,CoCoCo_3156448	446.907	AHJGCEZLJXUEGS-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141666
Clc1c(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_3414994	446.907	AHJGCEZLJXUEGS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141667
Clc1ccc([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	CoCoCo_3155625,PC-id_2481442	446.907	WXCFLTRYXCJZEK-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141668
Clc1ccc([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_2481444,CoCoCo_3155624	446.907	WXCFLTRYXCJZEK-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141669
Clc1ccc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_3621323,MCULE-1842770198,EMOLS-id_3288438	446.907	WXCFLTRYXCJZEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141670
Clc1ccc(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc1	PC-id_44053225	446.907	NZSPSHISHCNFGJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-141671
c1(c2CCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)Nc1ccc(Cl)cc1	SCHEMBL20353876,EMOLS-id_4133671,MCULE-5157979029,PC-id_17378015,TIMTEC212794	446.947	IFIWAMBNKCVYDL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141672
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1CCC(CC1)C(=O)O	PC-id_135200300,SCHEMBL20353877	446.947	YFBXTVJCPMGCJY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141673
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1cc(ccc1)Cl)C(=O)O	PC-id_135200267,SCHEMBL20353840	446.947	NSIWEACGODJTJS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141674
C1CC(CC(C1)C(=O)O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20339088,PC-id_135187036	446.947	LKRLZFASSBVVLS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141675
Clc1cc(C(=O)/N=c/2sc3C(OC(c3n2Cc2occc2)(C)C)(C)C)c(OC)cc1	SCHEMBL3386287,PC-id_68623092	446.947	BXWIIQVUZULVDA-GFMRDNFCSA-N	00000010101000110001000010000000000000000000000000000000	25-01-141676
NC(=O)c1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CCC2	ZINC22_2653058,CoCoCo_2963049,MCULE-9554981696,EMOLS-id_3224390,PC-id_2116434	446.947	OPPYQENVHDMPHK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-141677
O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834040,ZINC22_19645441,PC-id_28251745	446.947	IFIWAMBNKCVYDL-CABCVRRESA-N	00000010100010110000000010000000000000000000000000000000	25-01-141678
O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2	CoCoCo_6834042,PC-id_28251741,ZINC22_19645437	446.947	IFIWAMBNKCVYDL-GJZGRUSLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141679
O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	PC-id_28251743,ZINC22_19645439,CoCoCo_6834043	446.947	IFIWAMBNKCVYDL-HUUCEWRRSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141680
O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2	ZINC22_19645435,CoCoCo_6834041,PC-id_28251739	446.947	IFIWAMBNKCVYDL-LSDHHAIUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141681
C1CC(CN(C1)C(=O)N)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20339095,PC-id_135187041	446.95	XSPPDEVDAWDKRR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141682
Clc1cc(NC(=O)CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)c(OC)cc1	PC-id_24589072	446.95	QUKHXHLIABZTCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141683
Clc1c(CN2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)c(F)ccc1	PC-id_52546514	446.969	ZQVHIPCYOJCCGL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141684
Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)Nc1ccccc1Cl	CoCoCo_3758981,MCULE-8023195864,EMOLS-id_48976529,ZINC22_12584676,PC-id_4069493	446.97	BNMDUGOEDUUMPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141685
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cc2c(s1)CCC2	ZINC22_12584628,MCULE-4532431546,CoCoCo_3758955,PC-id_4088023,EMOLS-id_2985880	446.97	NZAGUKKLOWBSEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141686
c1(NC(=S)Nc2cccc(c2)Cn2cc(cn2)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_2954048,Chemmine_17780,CoCoCo_988047,MCULE-8853333405,ChEMBL-DNDi_CHEMBL7783335,EMOLS-id_2002865,ZINC22_16345338,TIMTEC202017	446.973	HTJXHSLDZHODTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141687
Cc1c(Cl)cccc1n1ccnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4182965,ZINC22_9378425,PC-id_16379404,MCULE-1859941961,EMOLS-id_11839880	446.973	ICVNLGKTQBXFRA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141688
C[C@H](Sc1nccn1c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4179822,PC-id_41082765,ZINC22_9467011	446.973	ZCPVDLUNGIMKSF-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-141689
C[C@@H](Sc1nccn1c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4179823,ZINC22_9467013,PC-id_41082767	446.973	ZCPVDLUNGIMKSF-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141690
Clc1ccc(cc1)n1ccnc1SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_16361610,EMOLS-id_43974037,MCULE-1710782371	446.973	ZCPVDLUNGIMKSF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141691
Clc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2)cc1	PC-id_19676773	446.973	GROMMKJCGNHZAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141692
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1	PC-id_19676713	446.973	GGOUZZFJUSSHRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141693
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2)cccc1	PC-id_20168156	446.973	CPHVQDUPOCVKOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141694
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cccc1	PC-id_20166582	446.973	MWAXLXGLZNAPRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141695
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2ccccc2)c1	PC-id_20174145	446.973	GMTMAWZSFNBDNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141696
c1(NC(=O)C2(CCCC2)c2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCCC	PC-id_30862120,ZINC22_23138781,CoCoCo_5277508,MCULE-7464819839,EMOLS-id_24913157	446.993	ZHVDUTWAICKYMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141697
CC(C)Cn1c2c(C(OC2(C)C)(C)C)sc1=NC(=NC#N)c1c(ccc(c1)Cl)OC	SCHEMBL945063,PC-id_87179555	446.993	COAKCKYKZIKINP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141698
Clc1ccc(CN2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_24507025	446.993	BGXCZLFURGVSQX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141699
Clc1ccc(CN2CCN(CC2)[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_51634959	446.993	BGXCZLFURGVSQX-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141700
Clc1ccc(CN2CCN(CC2)[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_51634960	446.993	BGXCZLFURGVSQX-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141701
Clc1cc(CN2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1	PC-id_46630576	446.993	OSRMEKXDBWLFJY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141702
N#C/N=C(/c1cc(Cl)ccc1OC)N=c
/sc2c(n1CC(C)C)C(OC2(C)C)(C)C	SCHEMBL945059	446.993	COAKCKYKZIKINP-DQIQZUARSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141703
N#CN=C(c1cc(Cl)ccc1OC)/N=c/1sc2c(n1CC(C)C)C(OC2(C)C)(C)C	SCHEMBL945061	446.993	COAKCKYKZIKINP-HBDFOONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141704
Clc1sc(S(=O)(=O)N2CCN(CC2)CC(=O)Nc2sc3CCCc3n2)cc1	PC-id_60502112	446.995	NNTHHRKOXQRITE-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-141705
Ic1c(C(=O)NCc2n3CCCc3nn2)cc(Br)cc1	PC-id_52550842	447.069	TVMHPZNVLYPRFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141706
COCCN1C2=C(CN(C2)C(=O)CC3=C(C=CC(=N3)C4=CC=C(S4)Cl)[N+](=O)[O-])C=N1	PC-id_161943506	447.077	VTHVYFZDEDUYSX-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-141707
COCCN1C=C2CN(CC2=N1)C(=O)CC3=C(C=CC(=N3)C4=CC=C(S4)Cl)[N+](=O)[O-]	PC-id_161943505	447.077	DDBCVYQDVBYGCZ-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-141708
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)NC4=CN=C(C=N4)Cl)C(=O)O	PC-id_162172759	447.102	ZNZSWVQRCYKXRR-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141709
COc1ccc(Br)c(Cn2nc3CCC(C)c3c2I)c1	EMOLS-id_330962871,MCULE-6152269502	447.109	LWERAKPKLKAJRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141710
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3OCCO)S(=O)(=O)C4=CNN=C4	PC-id_164872067	447.121	ZHVXQCAVWXJWRQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141714
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3OCCO)S(=O)(=O)C4=CNN=C4	PC-id_164872265	447.121	ZHVXQCAVWXJWRQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141715
CC(C)N1C=C(C=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4F	PC-id_164872269	447.138	JUVUPXFALATKQX-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141716
CC1=C(C(=NN1CC(F)F)C)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4	PC-id_164872055	447.154	BWLOGFSDTLHONN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141717
CCC1=CC=CC=C1C(CO)C(=O)N2CC3=CN(N=C3C2)SC4=CN(N=C4)CC(F)F	PC-id_164871989	447.154	CMJHDIMIPWSUDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141718
[Sn](C1S(=O)(=O)Cc2c1coc2)(CCCC)(CCCC)CCCC	PC-id_15150117	447.211	CMPZILKUPRNRHN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-141719
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)N(C)C	PC-id_161923257	447.227	KURFEGQGUSNVAN-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141720
C1Cn2c(c(c(n2)C(F)(F)F)C(=O)O)N1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL20539521,PC-id_135361072	447.255	DUDFRFNMWHTRIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141721
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(c(Cl)c3)Cl)n2)sc2c(CCC2)c1C#N	MCULE-2554825761,EMOLS-id_322820907	447.295	VUPYRNQLSLTTEE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141722
Clc1ccc(NC(=O)COc2c(C=c3c(=O)n4c(ncn4)s3)cc(Cl)cc2)cc1	EMOLS-id_9042154,MCULE-3019789938	447.295	WFLDOFHTJWFPFP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141723
Clc1ccc(NC(=O)COc2ccc(Cl)cc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_9914655,EMOLS-id_48841622	447.295	WFLDOFHTJWFPFP-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141724
n1(c2ccc(cc2Cl)Cl)c(=O)cc(c(C(=O)Nc2sc3c(CCC3)c2C#N)n1)O	MCULE-2846332585,EMOLS-id_322821675	447.295	XSOVRHQJHIMMFS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141725
O=C(Nc1ccc(cc1)Cl)COc1ccc(cc1/C=c
/sc2n(c1=O)ncn2)Cl	PC-id_97971776	447.295	WFLDOFHTJWFPFP-LZYBPNLTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141726
Brc1sc2c(c1CCCCCC)C(=C(C#N)C#N)C(F)(F)C2=C(C#N)C#N	PC-id_53475247	447.299	OCEUCMYGTHVNQU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-141727
Brc1cccc(c1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL2915888,PC-id_68439763	447.306	LLIPTWUJUJGAFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141728
Brc1ccc(c2nn(nn2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_38953930	447.309	GCMJQEVTMXXTJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141729
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(F)cc(F)c1	PC-id_19679769	447.317	UZVGXXLOPFHFLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141730
Clc1c(NC(=O)CC2n3nc(SCc4ccccc4)nc3N=C2[O-])ccc(Cl)c1	PC-id_75668181	447.318	LQJVPJGAGWXOPY-UHFFFAOYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-141731
Clc1c(NC(=O)C[C@H]2n3nc(SCc4ccccc4)nc3N=C2[O-])ccc(Cl)c1	PC-id_51527175	447.318	LQJVPJGAGWXOPY-OAHLLOKOSA-M	00000011100000110001000010000000000000000000000000000000	25-01-141732
Clc1c(NC(=O)C[C@@H]2n3nc(SCc4ccccc4)nc3N=C2[O-])ccc(Cl)c1	PC-id_51527176	447.318	LQJVPJGAGWXOPY-HNNXBMFYSA-M	00000011100000110001000010000000000000000000000000000000	25-01-141733
Clc1c(c2oc(C=CC(=O)Nc3sc4c(CCC4)c3C(=O)N)cc2)cccc1Cl	PC-id_73368377	447.334	FBMVQYNXFNZRGW-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-141734
Clc1c(c2oc(C=CC(=O)Nc3sc4c(CCC4)c3C(=O)N)cc2)ccc(Cl)c1	PC-id_73368378	447.334	XJLRITDRCOZJLV-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-141735
Clc1cc(c2oc(C=CC(=O)Nc3sc4c(CCC4)c3C(=O)N)cc2)cc(Cl)c1	PC-id_73368379	447.334	MHYZMIRTKHIACM-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-141736
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3cccc(Cl)c3Cl)o2)sc2c1CCC2	ZINC22_14273353,PC-id_17111630	447.334	FBMVQYNXFNZRGW-CSKARUKUSA-N	00000010101000110000100010000000000000000000000000000000	25-01-141737
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCC2	ZINC22_8832473,PC-id_17111631	447.334	XJLRITDRCOZJLV-RMKNXTFCSA-N	00000010101000110000100010000000000000000000000000000000	25-01-141738
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3cc(Cl)cc(Cl)c3)o2)sc2c1CCC2	ZINC22_8832475,PC-id_17111633	447.334	MHYZMIRTKHIACM-FNORWQNLSA-N	00000010101000110000100010000000000000000000000000000000	25-01-141739
CN(C)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324846322	447.338	CKOIWGWAABNALP-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141740
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-6674766075	447.338	CKOIWGWAABNALP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141741
n12c(=CC(=O)c3cc(N(=O)=O)ccc3)c(CC(=O)c3cc(N(=O)=O)ccc3)nc1nnc2N	PC-id_343316,MCULE-8759634565	447.361	MWJQBGXOJKAMCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141742
Nc1nnc2nc(CC(=O)c3cccc([N+](=O)[O-])c3)/c(=CC(=O)c3cccc([N+](=O)[O-])c3)/n12	CoCoCo_5636565,PC-id_6477017,ZINC22_18251631,CoCoCo_5636566,SPECS-id_AT-225/NB54729	447.361	MWJQBGXOJKAMCA-MHWRWJLKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141743
Nc1nnc2nc(CC(=O)c3cccc([N+](=O)[O-])c3)/c(=C/C(=O)c3cccc([N+](=O)[O-])c3)/n12	NSC382730,ZINC22_104161475	447.361	MWJQBGXOJKAMCA-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141744
Brc1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)c1cccs1	ZINC22_970540,MCULE-5104974206,BAS-00487074,SPECS-id_AG-690/12883626,CoCoCo_81829,PC-id_1202867,EMOLS-id_1231127	447.369	SLJNNDXDHKULHS-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-141745
CCCCCCCCCCCCN1C(=O)c2csc(I)c2C1=O	MCULE-6057841235,SCHEMBL14897762,PC-id_89527590,EMOLS-id_337887535	447.374	VAXUJLDPCOUBGA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-141746
c1(NC(=[Se])NC(=O)C=Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-8535942792	447.409	WCWRVODPNCKVAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141747
CC1C(=Cc2c1c(nn2S(=O)(=O)c1ccc(cc1)C)C#N)OS(=O)(=O)C(F)(F)F	PC-id_89374935	447.409	CAZVRHZPWNHUFM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-141748
N#Cc1nn(c2c1[C@@H](C)C(=C2)OS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C	SCHEMBL14597022	447.409	CAZVRHZPWNHUFM-JTQLQIEISA-N	00000011100000110001000010000000000000000000000000000000	25-01-141749
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OC)C(=O)N	PC-id_3455073	447.419	ISJHBZJHSNUHKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141750
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324878852	447.43	BVZVQNMWHYHRJE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141751
CCOc1ccc(OCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324879364	447.43	HHSIPULFHPLHJE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141752
COc1ccc(Cc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1OC	EMOLS-id_324925961	447.43	MEJDOBSNNLYELR-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141753
COc1ccc(Cc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1OC	EMOLS-id_324926473	447.43	WEIZPWCENGWEGE-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141754
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-3852400588	447.43	WEIZPWCENGWEGE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141755
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-9717336245	447.43	MEJDOBSNNLYELR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141756
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1ccc(cc1)OCC	MCULE-4699750598	447.43	HHSIPULFHPLHJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141757
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1ccc(cc1)OCC	MCULE-8424678760	447.43	BVZVQNMWHYHRJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141758
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(Oc2ncc(cc2)C(F)(F)F)cc1	PC-id_24532216	447.43	CGKMPEVTXCRIHR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141759
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_16947096	447.43	GMQQLFICOWXCRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141760
c12NC(=O)C(CC(=O)Nc3cccc(c3)C(F)(F)F)n1nc(SCc1ccccc1)n2	EMOLS-id_17109036,MCULE-5416207323,STOCK6S-52888,PC-id_135629890	447.434	MLOWCIDQMCJIQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141761
O=C(C[C@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1cccc(C(F)(F)F)c1	PC-id_135904065,ZINC22_13727272	447.434	MLOWCIDQMCJIQR-HNNXBMFYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-141762
O=C(C[C@@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1cccc(C(F)(F)F)c1	ZINC22_13727269,PC-id_135904064	447.434	MLOWCIDQMCJIQR-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-141763
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NCC(F)(F)F)ccc1	PC-id_24414304	447.452	IGWOHXDGHNYCIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141764
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1N	PC-id_57749850,SCHEMBL1372274	447.458	HEKXFMKVAYYGNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141765
FC(C(=O)N1Cc2c([nH]nc2NC(=O)c2c(C3CC(=O)NC3)cccc2)C1)c1ccccc1	PC-id_70007986,SCHEMBL7160015	447.462	ZDKQRKDYTHZRAI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141766
FC(C(=O)N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCCC3=O)cc2)C1)c1ccccc1	PC-id_68439409,SCHEMBL2914948	447.462	QOWIGRQRKJRJBX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141767
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(NC)cc1)C(=O)OCC	PC-id_24343258	447.462	DICQIQRPSLTDBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141768
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N(C)C)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_45665996	447.462	SLTCYOHHNGDKEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141769
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1cc(ccc1)C(F)(F)F)C	PC-id_3370261	447.47	PEOLIXUVEMKYCF-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-141770
c1(NC(=O)c2ccccc2S(=O)(=O)C(F)F)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	ChEMBL-DNDi_CHEMBL1898620,CoCoCo_5065664,MCULE-2133850521,PC-id_24891896,ZINC22_8910092,EMOLS-id_5686972	447.477	NKWLZQSODDTFJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141771
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1)C(=O)OCC	PC-id_3470965	447.477	ULLWYMQBVCKIBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141772
c12c(CCC1C(=O)OCC)sc(NC(=O)C1CN(C1)C(=O)COc1ccccc1F)n2	MCULE-3022936674,EMOLS-id_45816070,PC-id_71785371	447.48	AFZVWZSYJNAEKM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-141773
Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1F	CoCoCo_3090962,MCULE-9153071684,EMOLS-id_3409125,ZINC22_9318270,PC-id_4847063	447.48	ALFBIFRHSYDHIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141774
CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)nc12	ZINC22_70815072,PC-id_95377053	447.48	AFZVWZSYJNAEKM-CYBMUJFWSA-N	00001010100000110001000010000000000000000000000000000000	25-01-141775
CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)nc12	ZINC22_70815076,PC-id_95377054	447.48	AFZVWZSYJNAEKM-ZDUSSCGKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-141776
CC(OC(=O)OCC(CC#C)CC#C)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_140930803	447.48	SKAZYDAFDUTTLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141777
C1CS(=O)(=O)c2nc(cn12)C=C1C2N(C1=O)C(CS2)C(=O)OCOc1ccccc1	PC-id_88374421,SCHEMBL8846536	447.485	ZCXSVPZDUDORMB-UHFFFAOYSA-N	00001010100000110001001010000000000000000000000000000000	25-01-141778
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccccc1)C(=O)OC	PC-id_4142557	447.485	JLNPNFSDWWUAJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141779
O1C(CN2CCN(CC2)C(=O)c2ccc(cc2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5546535,PC-id_69482478	447.486	KEFBUMWOAKRMQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141780
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cccc(c1)C#N	PC-id_134302941,SCHEMBL19920659	447.49	VOTBQUMUKZYVIC-ATVHPVEESA-N	00100010100000110000000010000000000000000000000000000000	25-01-141781
N#Cc1cccc(c1)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)C1CNNN1	PC-id_146047453	447.49	DHIVGWDDIVZGHQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-141782
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(c(OC)c1)OC)C(=O)OC	MCULE-9655454046,PC-id_19220674	447.501	YFMXRQWINRNGHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141783
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1)OC)C(=O)OC	STOCK3S-51942,PC-id_2791748,MCULE-3185362646,EMOLS-id_1439895,BAS-03753981	447.501	QZMVCWOAJDDBIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141784
CCOC(=O)c1c(NC(=O)COC(=O)COc2ccc(C)cc2OC)sc2c1CCC2	EMOLS-id_3155156,CoCoCo_3139951,PC-id_3974046,ZINC22_9561841,MCULE-4460491425	447.501	FGNFXWYSPRKRIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141785
COC(=O)c1c(NC(=O)CCCOc2ccc(OC)cc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_306286,PC-id_1568909,ZINC22_1778252	447.501	QZMVCWOAJDDBIM-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141786
COC(=O)c1c(NC(=O)CCCOc2ccc(OC)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1568908,ZINC22_1778251,CoCoCo_306285	447.501	QZMVCWOAJDDBIM-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141787
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(c(OC)c1)C)C(=O)OCC	PC-id_4330913	447.501	HBOSGVRWKKNRFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141788
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCC)c(OC)cc1)C(=O)OCC	PC-id_31651069	447.501	HBWWHBOGQCQKKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141789
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OCC)cc1)C(=O)OCC	PC-id_16516073	447.501	NBKJIXRYDBIFBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141791
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC(C)C)cc1)C(=O)OC	PC-id_16501102	447.501	QDOAMQJQKIHNCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141792
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_24352370	447.501	CVXBQMJIRVPUIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141793
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(OC)cc(OC)cc1)C(=O)OCC	PC-id_29622249	447.501	JFSBAOAEDLYLGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141794
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1cc(O)c(OC)cc1)C(=O)OCC	PC-id_56284367	447.501	BXNVNZOLUDYUSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141795
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1ccc(OC)cc1)C(=O)OCC	PC-id_24358783	447.501	VNYWYSKPAKCBOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141796
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCOc1c(OC)cccc1)C(=O)OCC	PC-id_24359779	447.501	YSUCWXVDOKPEPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141797
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(OCC)cccc1)C(=O)OCC	PC-id_31633513	447.501	XXLJAXYQDMCLPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141798
CCOC(=O)CCC(OC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ccc1F)(C)C	SCHEMBL3326165,PC-id_57519204	447.503	MBYQXEWNORLMDU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-141799
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(F)cc1)C(=O)OCC	PC-id_4427974	447.503	PCZNJQWPWVOTCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141800
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(F)cccc1)C(=O)OCC	PC-id_5225138	447.503	DBJCKCFDDOFIFO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141801
c1(NC(=O)CNC(=O)c2cc(c(OC)c(OC)c2)OC)sc2c(CCC2)c1C(=O)NC	MCULE-2994626174,EMOLS-id_334328531	447.505	ADMSGEJMCTYQCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141802
c1(NC(=O)NN=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-5537574228,PC-id_73549396	447.505	JAOXFGPZXKATGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141803
Fc1ccc(CC(=O)Nc2n[nH]c3C(N(C(=O)NC4C(C4)c4ccccc4)Cc23)(C)C)cc1	SCHEMBL1204775,PC-id_66941263	447.505	IGTYTGXJVOKNCX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-141804
Fc1ccc(CC(=O)Nc2n[nH]c3C(N(C(=O)N[C@H]4[C@@H](C4)c4ccccc4)Cc23)(C)C)cc1	SCHEMBL1204778,PC-id_58015568	447.505	IGTYTGXJVOKNCX-AZUAARDMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-141805
OC[C@@H]1C[C@@]1(C)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729872	447.505	CWMVBBGTYQZVIU-ZLGUVYLKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-141806
OC[C@@H]1C[C@@]1(C)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729873	447.505	CWMVBBGTYQZVIU-ICTUGDKOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-141807
OC[C@H]1C[C@H]1CC#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729913	447.505	QRSRPJYAOKIZPD-CBGDNZLLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-141808
OC[C@H]1C[C@H]1CC#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729915	447.505	QRSRPJYAOKIZPD-LJMNQJIDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-141809
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)/C=C/c1ccc(cc1)CO)C	SCHEMBL18729849	447.505	SNMVUMMSXJHVEX-WKOQKXSESA-N	00000010100000110001000010000000000000000000000000000000	25-01-141810
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C=Cc1ccc(cc1)CO)C	SCHEMBL18729851	447.505	SNMVUMMSXJHVEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141811
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C=Cc1ccc(cc1)CO)C	SCHEMBL18729852	447.505	SNMVUMMSXJHVEX-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141812
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CO)CCC1)C	SCHEMBL18729962	447.505	ACGNYSXMNBYHCQ-HXUWFJFHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141813
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CO)CCC1)C	SCHEMBL18729963	447.505	ACGNYSXMNBYHCQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-141814
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@H]1C[C@]1(C)CO)C	SCHEMBL18730070	447.505	LFMKHSICZMUNDU-ZLGUVYLKSA-N	00100010100000000001000010000000000000000000000000000000	25-01-141815
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@H]1C[C@]1(C)CO)C	SCHEMBL18730071	447.505	LFMKHSICZMUNDU-ICTUGDKOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-141816
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C)C(=O)N	PC-id_24496121	447.505	ZVKDEDYKNUOHQI-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-141817
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OC(C)C)C)C(=O)N	PC-id_30203415	447.505	ZRVUFKNDZMDDJQ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-141818
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(CCCC)c(=O)cc1)C(=O)OCC	PC-id_30682328	447.505	NHTVGSLMEBRYON-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-141819
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)[C@@H](NC(=O)c1occc1)C(C)C)C)C(=O)N	PC-id_24496302	447.505	HMOVJIFYWFMKAK-NBFOKTCDSA-N	00000010101000000000000010000000000000000000000000000000	25-01-141820
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(NC(=O)c1occc1)C(C)C)C)C(=O)N	PC-id_74287520	447.505	HMOVJIFYWFMKAK-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-141821
s1c2c(CCC2)c(c1NC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_19166555	447.505	JAOXFGPZXKATGB-SSDVNMTOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141822
c1(NC(=O)c2cc(on2)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_27662607,MCULE-8535042246,CoCoCo_2254637,TIMTEC89169,PC-id_17012456,EMOLS-id_10105010	447.506	BXABKFWCWZRXID-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-141823
c1(NC(=O)COc2ccc(cc2)C(=O)Nc2ccccc2OC)sc2c(CCC2)c1C#N	ZINC22_812737,CoCoCo_375908,SPECS-id_AS-871/42969607,BAS-08765453,PC-id_1092083,EMOLS-id_1508501,MCULE-4422223563	447.506	RNXVDOGYGKOSRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141824
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_323165757,MCULE-8700125974	447.506	ALRDZWNHAABYPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141825
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-1870033366,EMOLS-id_323173681	447.506	RUJVDSVIWGFYBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141826
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(OC)cc2)sc2c(CCC2)c1C#N	EMOLS-id_323177269,MCULE-8754149776	447.506	YANQKUXJLDCCGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141827
c1(NC(=O)COc2cccc(c2)NC(=O)COc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_323186245,MCULE-5592416325	447.506	DYRNDBRQVDCRKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141828
c1(NC(=O)COc2cccc(c2)NC(=O)OCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-5611802862,EMOLS-id_323222452	447.506	BUZSDKKVMIOYED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141829
C=CCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	EMOLS-id_45965679,ZINC22_16742088	447.506	GIEVUVMWABOUSW-VEYSXCRSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141830
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1OC(=O)C	EMOLS-id_45966207,ZINC22_16735411	447.506	DVJINECSIVVLHV-YVUMUJEDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141831
COc1ccccc1/C=C/C=c/1sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	EMOLS-id_45965761,ZINC22_16742275	447.506	FGLCLJKWCRZJNI-HLLOXFMXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141832
COC(=O)c1ccc(c2ccc(C)cc2)n(CC(=O)Nc2sc3CCCc3c2C#N)c1=O	EMOLS-id_323588380,MCULE-9624277592	447.506	WGZZGXLSGZGKPF-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-141833
n12nc(nc1sc(=Cc1ccc(cc1)OCC=C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4277225855	447.506	HNYLNSPBLJUNAK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141834
n12nc(nc1sc(=Cc1ccccc1OCC=C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6703084273	447.506	GIEVUVMWABOUSW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141835
n12nc(nc1sc(=Cc1cc(C)c(c(C)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-1330876445	447.506	XMXTUBYECQXCKS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141836
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC=C)c2=O)C=Cc1ccc(cc1)OC	MCULE-6216664669	447.506	BBPNMFYPSSNUJR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141837
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)C	MCULE-2093251140	447.506	DVJINECSIVVLHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141838
n12nc(nc1sc(=CC=Cc1ccccc1OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9331766246	447.506	FGLCLJKWCRZJNI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141839
s1c2CCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)Nc1ccc(OC)cc1)C#N	PC-id_1667849	447.506	IBXGHCURZNZMNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141840
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(F)cc1)C(=O)OCC	PC-id_18874254	447.506	UCODHZFJDPWSGD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141841
c1(NC(=O)COc2nonc2CC(=O)NCCCCCCO)sc2CCCc2c1C#N	EMOLS-id_333687378,MCULE-8934232897	447.508	GNMXHUDGFVPENQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141842
c1(NC(=O)COc2nonc2CC(=O)N(CCCC)CCO)sc2CCCc2c1C#N	MCULE-9136629709,EMOLS-id_333691175	447.508	SNLDDIIAYNTSKF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141843
c1(NC(=O)COc2nonc2CC(=O)NCCCOC(C)C)sc2CCCc2c1C#N	EMOLS-id_333685585,MCULE-7496827611	447.508	BNXFHBOOSGZROP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141844
c1(NC(=O)COc2nonc2C(=O)NCCCOCCCC)sc2CCCc2c1C#N	MCULE-9708532612,EMOLS-id_333714747	447.508	BCGZPERXCBODDS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141845
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccc(cc1)SC)C(=O)O	PC-id_89437344	447.508	OLOHOSXSPIXKAZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141846
CSc1ccc(cc1)COC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_23081294,SCHEMBL5537724	447.508	ZRNMEFSPARCXPU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141847
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_321904381,MCULE-2504582324	447.51	TYQNFDXSUIDIHE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141848
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C)sc2c(CCC2)c1C#N	MCULE-1791698003,EMOLS-id_321901565	447.51	MZAJYBZICPUZAN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141849
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_321901053,MCULE-9352705226	447.51	GRIMKMYPFREVOM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141850
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321873272,MCULE-3129459836	447.51	JDGKLBPIRSQXFV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141851
c1(NC(=O)COc2cccnc2NC(=O)N(C)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-4873618470,EMOLS-id_321856186	447.51	ITHCMKGRQGJFLN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141852
CCCS(=O)(=O)n1nc2c(c1)CN(C2)[C@H](C[C@@H](C/C(=C/C(=C/F)/F)/C(=C)F)N)CN	PC-id_144161495	447.518	VXWNONJELVXLHT-XVHFIHRNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141853
CCOC(=O)c1c2CCCc2sc1NC(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1	TIMTEC331607,EMOLS-id_27449748,PC-id_39336809,MCULE-9440653228,ZINC22_32091962,CoCoCo_6768856,STOCK6S-79468	447.525	NHMVFTIIGIVUOM-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-141854
C1CCN(CC1)c1ccc(cc1)NC(=O)c1c(n2CC(Cc2c1O)OCc1ccccc1)O	PC-id_91351392	447.526	QATLLWMWPTVELE-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-141855
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2CCCc2c1C#N	MCULE-5477709203,EMOLS-id_333772882	447.528	CFPYCBMTQSSFQS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141856
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2OC)OC)sc2c(CCC2)c1C#N	EMOLS-id_320673354,MCULE-9331314896	447.528	IXUKFYODUPVUIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141857
c1(NC(=O)CS(=O)CC(=O)Nc2c(OC)ccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_320702529,MCULE-3340916696	447.528	VGGINXIWQRPSCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141858
s1c2CCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)NC2=NCCC2)ccc1	PC-id_45637972	447.528	QKXOQQWJNUYULX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-141859
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccsc1)C)C(=O)OCC	PC-id_56337467	447.528	ILQRYIZWRXJJSV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-141860
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1N(CCC1)C(=O)c1sccc1)C(=O)N	PC-id_45701639	447.528	WRVAJRXIKPZELE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-141861
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1N(CCC1)C(=O)c1sccc1)C(=O)N	PC-id_51550535	447.528	WRVAJRXIKPZELE-LBPRGKRZSA-N	00000010100100000000000010000000000000000000000000000000	25-01-141862
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1N(CCC1)C(=O)c1sccc1)C(=O)N	PC-id_51916829	447.528	WRVAJRXIKPZELE-GFCCVEGCSA-N	00000010100100000000000010000000000000000000000000000000	25-01-141863
CC1(c2c(CN1C(=O)OC(Cc1ccccc1)CNC)c(n[nH]2)NC(=O)c1ccccc1)C	PC-id_89803994	447.529	BZPCHVAVEWGHQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141864
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	PC-id_58015664,SCHEMBL1205087	447.529	MOROKSJAULAYHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141865
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	BindingDB_PC-id_57523680,PC-id_57523680,SCHEMBL1205081	447.529	MOROKSJAULAYHU-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141866
CNC[C@@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)Cc1ccccc1	SCHEMBL15256592	447.529	BZPCHVAVEWGHQW-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-141867
O1C(CCN2CCN(CC2)Cc2ccc(cc2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69480359,SCHEMBL5538869	447.529	IUMAQGIEUSHMMB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141868
O1C(CN2CCCN(CC2)Cc2ccc(cc2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5544032,PC-id_69481699	447.529	APTVYLSEWWJTDX-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-141869
OCn1c(nnc1c1ccoc1C)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_138706285,SCHEMBL21082570	447.531	PGHGOIXCDOTKHO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141870
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1c(occ1)C)C(=O)OCC	PC-id_29338224	447.531	RYOMETLLFXPMRX-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-141871
CNc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145111655	447.533	KQXVMDXPUXBNRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141872
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_24765899,SCHEMBL1205170	447.533	BZTPWAQEJOKCLR-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-141873
O=C(N1C(c2[nH]nc(NC(=O)c3ccc(n4nccc4)cc3)c2C1)(C)C)C1CCN(CC1)C	PC-id_10478800	447.533	XBUGNFVLRCTHCT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-141874
Cc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2C[C@@H]2c2ccccc2)nc(n1)N(C)C	PC-id_70914375,SCHEMBL13470359	447.536	DRVMNBRCBFPICE-LDCVWXEPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-141875
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2368403,TIMTEC41203,PC-id_1358411,ChEMBL-DNDi_CHEMBL5693606,ZINC22_1200006,MCULE-4357643597,CoCoCo_683124	447.544	AITNVZKCOHMAHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141876
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-4892817603,PC-id_4453050	447.546	BRJBZIYIESMXNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141877
Cc1ccc(cc1)S(=O)(=O)n1c2c(cc1C(=O)OC)C(=Cc1cc(ccc1)C1CC1)CC2	PC-id_87186705,SCHEMBL1004687	447.546	HJNNZBARNBYCKL-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-141878
C(=Cc1ccc(cc1)OC)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8252233550	447.546	IUYXILWRSCRFBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141879
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)sc2CCCc12	PC-id_1652219,EMOLS-id_327999755	447.546	BRJBZIYIESMXNH-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141880
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)/c2ccccc2)sc2c1CCC2	EMOLS-id_327846533,ZINC22_408563118	447.546	IUYXILWRSCRFBH-LTGZKZEYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141881
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=Cc1cccc(c1)C1CC1	PC-id_66873694,SCHEMBL1004685	447.546	HJNNZBARNBYCKL-RCCKNPSSSA-N	00100010100000110000100010000000000000000000000000000000	25-01-141882
COC(=O)c1cc2c([nH]1)CCC2S(=O)(=O)c1ccc(cc1)/C=C/c1cccc(c1)C1CC1	PC-id_66873712,SCHEMBL1004725	447.546	QSGWSFVGYURNJF-AATRIKPKSA-N	00100010100000110000100010000000000000000000000000000000	25-01-141883
S(=O)(=O)(C1CCc2[nH]c(cc12)C(=O)OC)c1ccc(cc1)C=Cc1cc(C2CC2)ccc1	PC-id_77199845	447.546	QSGWSFVGYURNJF-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-141884
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9482113868,EMOLS-id_334329259	447.549	VDEWHZARNNKSOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141885
c1(NC(=O)CNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4780922061,EMOLS-id_334330028	447.549	QPCBKCIHTJVFNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141886
c1(NC(=O)COc2cn(c(cc2=O)C)CCc2ccc(C)cc2)sc2CCCc2c1C#N	EMOLS-id_331630019,MCULE-3374853779	447.549	TVVKYYSXGDIRGY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-141887
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_45970196,ZINC22_27021801	447.549	IQPDCXBPJFNQFB-KOEIGMAUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141888
CCCCCOc1ccc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	ZINC22_16779404	447.549	IQPDCXBPJFNQFB-WTZKAOCRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141889
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OCC	GD-id_ZINC27021782,ZINC22_27021782,EMOLS-id_45970188	447.549	SNHLAYUECMNHHA-KOEIGMAUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141890
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_45964877,ZINC22_16735647	447.549	PSANGXKELMHPQG-YLEGLNDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141891
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OCC	EMOLS-id_45964871,ZINC22_16735639	447.549	NUQFPWPKAISLET-YLEGLNDPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141892
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)Cc1ccco1	PC-id_92109646	447.549	WZMAAYVZVGFGLQ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-141893
COc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OCCC(C)C	EMOLS-id_45970112,ZINC22_27021569	447.549	QYVQWWLCKQLPCC-RDZUBIMISA-N	00000000100000110001000010000000000000000000000000000000	25-01-141894
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1OC	EMOLS-id_45965729,ZINC22_16742156	447.549	OOFVSDBNHXCZSU-ZABCAIROSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141895
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-7649673315	447.549	OOFVSDBNHXCZSU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141896
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-4704477984	447.549	PSANGXKELMHPQG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141897
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)C=Cc1ccc(cc1)C	MCULE-7095941104	447.549	BBEPNOZQVKZCRP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141898
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC(C)C)c2=O)C=Cc1ccccc1	MCULE-2949086524	447.549	QYVQWWLCKQLPCC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141899
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCC)c2=O)C=Cc1ccccc1	MCULE-4731302100	447.549	IQPDCXBPJFNQFB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141900
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-4777176317	447.549	NUQFPWPKAISLET-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141901
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCC)c2=O)C=Cc1ccccc1	MCULE-2652706891	447.549	SNHLAYUECMNHHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141902
O=C(N1CCn2c1c(C(=O)O)c(n2)C(COC([Si](C)(C)C)(C)C)(F)F)OC(C)(C)C	PC-id_140931266	447.549	RGGAORCVLRUIKA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-141903
NC(=O)c1c(NC(=O)CCN2C(=O)S/C(=C/c3cccs3)/C2=O)sc2c1CCC2	CoCoCo_3218587,ZINC22_3377204	447.551	NBAOOSLWQRVFKK-UKTHLTGXSA-N	00000010100100000001000010000000000000000000000000000000	25-01-141904
O=C(Nc1sc2c(c1C(=O)N)CCC2)CCN1C(=O)S/C(=Cc2cccs2)/C1=O	CoCoCo_3218586,PC-id_2495228	447.551	NBAOOSLWQRVFKK-LCYFTJDESA-N	00000010100100000001000010000000000000000000000000000000	25-01-141905
O=C(Nc1sc2c(c1C(=O)N)CCC2)CCN1C(=O)SC(=Cc2cccs2)C1=O	PC-id_2495225,EMOLS-id_26063041,MCULE-9144018524	447.551	NBAOOSLWQRVFKK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-141906
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2sccc2)cc1	PC-id_26872757	447.551	PUOMZSRKJGZWTL-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-141907
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(nc1C)c1sccc1)C(=O)N	PC-id_46825780	447.551	HOUORCXOVQBETC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-141908
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1nc(sc1)c1sccc1)C(=O)N	PC-id_46574188	447.551	VHGQRYUODNHXEC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-141909
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)C=Cc1sccc1)C(=O)OC	PC-id_3641850	447.551	BRPRALXYDCEERM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-141910
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)/C=C/c1sccc1)C(=O)OC	PC-id_5883406	447.551	BRPRALXYDCEERM-BQYQJAHWSA-N	00000010100100000001000010000000000000000000000000000000	25-01-141911
Cc1cccc(C)c1NC(=O)CCc1nnc2s/c(=Cc3ccc(N(C)C)cc3)/c(=O)n12	NSC625829,ZINC22_5615921	447.553	BPLCLLASTFHUSQ-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-141912
Cc1cccc(C)c1NC(=O)CCc1nnc2s/c(=C/c3ccc(N(C)C)cc3)/c(=O)n12	ZINC22_17191814,SPECS-id_AT-225/NB57516	447.553	BPLCLLASTFHUSQ-XMHGGMMESA-N	00000000100000110001000010000000000000000000000000000000	25-01-141913
CCCCc1c(cn[nH]1)C(=O)N(C1CCn2c1cnc2)c1ncc(c(n1)c1cccs1)C	SCHEMBL15259740,PC-id_89806720	447.556	FDNXPTGWGXWVRE-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-141914
S(SCCOC)CCOC(=O)CC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_58492986	447.568	FINHHFQEWCCHQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141915
CC1(c2c(CN1C(=O)Nc1ccc(cc1)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_134426745,SCHEMBL20060349	447.569	BRJFEFDTDLTYNX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-141916
CC1(c2c(CN1C(=O)Nc1cc(ccc1)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20060508,PC-id_134426884	447.569	HKDSLYUDGQGQIL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-141917
CC1(c2c(CN1C(=O)Nc1ccccc1F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348599,PC-id_135195467	447.569	INBTXNMPVLJCRN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-141918
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)sc2c(CCC2)c1C(=O)NC	PC-id_16031449,CHEMBL1531423,CoCoCo_5058631,MCULE-2180300129,ZINC22_8600639,EMOLS-id_22708536	447.571	VYWYSHNYJHHVKP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141919
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	ZINC22_10337593,CoCoCo_5199944,MCULE-5795412181,EMOLS-id_5633438,PC-id_16831737	447.571	LITWGUSVEUDEPF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141920
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(C)CCCC)sc2CCCc2c1C#N	MCULE-8093799292,EMOLS-id_333774419	447.571	YMCJULYOXDYZEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141921
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCO)sc2CCCc2c1C#N	EMOLS-id_331789244,MCULE-3130648004	447.571	DLOKSNZAJWMZGY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141922
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331791286,MCULE-8696494730	447.571	RPWPAGSQLOYMAF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141923
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCO)sc2CCCc2c1C#N	EMOLS-id_331792056,MCULE-6183109815	447.571	CGOFLJMKUHRRBI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141924
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCOC)sc2CCCc2c1C#N	MCULE-3213570698,EMOLS-id_331787198	447.571	JKMIKSYZESHPBE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141925
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCC)sc2CCCc2c1C#N	MCULE-4037587583,EMOLS-id_331788220	447.571	MKUSZKDBDNZDBZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-141926
Cc1ncc2n1C(=O)N(C2)CC1CCN(CC1)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C	PC-id_91133213	447.571	DWFMOXSZHXWBML-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141927
C=CC(=O)NCCCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1sc2c(c1)CCC2)C	SCHEMBL14058500,PC-id_89239343	447.571	DKTVDVORVVTKQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141928
CN(C1CCCC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)N	ZINC22_15822868,MCULE-4797961332,GD-id_ZINC15822868,PC-id_22582902,CoCoCo_2590320,EMOLS-id_16349211	447.571	ZBXCKEZHVVNISZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141929
COC(=O)NCCCn1nc(c2c1C(C)(C)CC2)[C@H](N(C(=O)[C@H]1CNCCO1)C1CC1)C	PC-id_118313193,SCHEMBL17013056	447.571	FMGXLPFTAUMIRL-CRAIPNDOSA-N	00100010100010000001000010000000000000000000000000000000	25-01-141930
O=C(N1CCC(CC1)CN1Cc2n(C1=O)c(nc2)C)[C@H](N(C(C)(C)C)C(=O)O)C(C)(C)C	SCHEMBL3448990,PC-id_68646921	447.571	ONDYNAUKSMYWGU-SFHVURJKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141931
O=C(N1CCC(CC1)CN1Cc2n(C1=O)c(nc2)C)C(N(C(C)(C)C)C(=O)O)C(C)(C)C	PC-id_77532865	447.571	ONDYNAUKSMYWGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141932
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1nc(sc1)NC(=O)C	PC-id_31629291	447.571	LMCPVZOPWOFJLD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141933
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1scc(n1)C	PC-id_41733191	447.571	NAMKPAZENDDFLN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141934
S(=O)(=O)(N1CCCCC1)c1cc(c(cc1)C)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_27684519	447.571	AENBWBRUJYZKDS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141935
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(cc1)C	PC-id_16862850	447.571	BGTYAAHJLFHAHR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141936
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)C#N	PC-id_4956998	447.572	HKCIFKPDVHOQFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141937
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OCCc2ccccc2)ccc1)C#N	PC-id_17134753	447.572	AFRGEUHGCSSPPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141938
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCCc2ccccc2)cccc1)C#N	PC-id_19628532	447.572	RDGFKTDYNXWLDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141939
O=C(c1cc(ccc1O)S(=O)(=O)Nc1ccccc1Cl)NC1CC(n2c1ncn2)C	MCULE-6205921085,EMOLS-id_317038174	447.895	XZXMVUYENODLSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141977
Cc1csc(CC(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)n1	PC-id_17557624,ZINC22_36386057,EMOLS-id_11998605,MCULE-9326693790,CoCoCo_4137658	447.574	VOCSCIUAOFDHJD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141940
CNc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145207954	447.576	IKVDBOVMWDEZOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141941
C/C=CC=C(/C1=Cc2n(C1C(CCN(c1cccc(c1)C1=CN(NC1)C)C)CC)cnc2)F	PC-id_134291800,SCHEMBL19908135	447.591	KKOIAIIJIPJTEX-LIYMTWEXSA-N	00000011100000110001100010000000000000000000000000000000	25-01-141942
CCC(c1ccccc1)NC(=O)c1cc(c2n1CCS2)C(=O)NC(CC)c1ccccc1	PC-id_89726878	447.592	LFKVCUHQDXJACZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141943
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)n2CCSc12)c1ccccc1	BindingDB-id_382157,SCHEMBL15157683,BindingDB_PC-id_89726878	447.592	LFKVCUHQDXJACZ-FGZHOGPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141944
O=C(C1CCc2c1nc(s2)C)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	PC-id_44472651,SCHEMBL11982293	447.592	VMHFOEGLSKKEQT-JMCFHRAQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141945
s1c2CCC(c2nc1N)C(=O)Nc1ccc(C[C@H]2C[C@H](CC2)[C@H](O)c2ccccc2)cc1	PC-id_58126613	447.592	VVMXACGJURIIOT-AEZAZADNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141946
s1c2CC[C@H](c2nc1C)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2ccccc2)cc1	PC-id_76329232	447.592	VMHFOEGLSKKEQT-IYXIZZNPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141947
c1ccc(cc1)C(n1cnc(c1)CN1Cc2c(C1)csc2)(c1ccccc1)c1ccccc1	PC-id_15228195,SCHEMBL9181057	447.594	NKBSKYHMHJZSSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141948
NC(=O)c1c(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)sc2c1CCC2	PC-id_17551081,CoCoCo_4232082,EMOLS-id_11944378,CoCoCo_4232081,MCULE-7951243098,ZINC22_22803669	447.594	BEPKJHSIDKCVNP-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-141949
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](CC(=O)Nc1c(SC)cccc1)C)C)C(=O)N	PC-id_38214192	447.594	GLOLZPBUNDGECB-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-141950
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](CC(=O)Nc1c(SC)cccc1)C)C)C(=O)N	PC-id_38214196	447.594	GLOLZPBUNDGECB-GFCCVEGCSA-O	00000010100000110000000010000000000000000000000000000000	25-01-141951
s1c2c(CCC2)c(c1NC(=O)C([NH+](CC(=O)Nc1c(SC)cccc1)C)C)C(=O)N	PC-id_85502272	447.594	GLOLZPBUNDGECB-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-141952
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1C)Cc1cccs1	MCULE-1996402616,PC-id_16345625,SCHEMBL21045411,EMOLS-id_3633602	447.597	VVSDYEVZRUVUCZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-141953
C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4178403,PC-id_41156666,ZINC22_9646008	447.597	VVSDYEVZRUVUCZ-JTQLQIEISA-N	00000010100100000001000010000000000000000000000000000000	25-01-141954
C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41156669,ZINC22_9646013,CoCoCo_4178402	447.597	VVSDYEVZRUVUCZ-SNVBAGLBSA-N	00000010100100000001000010000000000000000000000000000000	25-01-141955
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C#C)CCC2C(=O)OCCCCCCCC	SCHEMBL10816987	447.609	GRJUOOXTEBFDFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141956
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CC=C2C(=O)OCCCCCCCC	SCHEMBL10817390,PC-id_70450435	447.609	LGJJTDGOFKPGSO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-141957
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)c1C	PC-id_26723185,MCULE-4270304815,EMOLS-id_30235896,ZINC22_15636619	447.614	MTEYGMCFGCNPGW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141958
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[N@@H+]1CC[C@H](CC1)C(=O)N1CCCCCC1	GD-id_ZINC09683387,PC-id_41173478	447.614	XTEUSPREPPZCCG-OAHLLOKOSA-O	00000010100010000100000010000000000000000000000000000000	25-01-141959
s1c(NC(=O)[C@@H]([NH+]2CCC(CC2)C(=O)N2CCCCCC2)C)c(c2c1CCC2)C(=O)N	PC-id_41173476	447.614	XTEUSPREPPZCCG-HNNXBMFYSA-O	00000010100010000100000010000000000000000000000000000000	25-01-141960
s1c(NC(=O)C([NH+]2CCC(CC2)C(=O)N2CCCCCC2)C)c(c2c1CCC2)C(=O)N	PC-id_74750856	447.614	XTEUSPREPPZCCG-UHFFFAOYSA-O	00000010100010000100000010000000000000000000000000000000	25-01-141961
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)CC)C)C(=O)OC	PC-id_20176181	447.617	VZGPCTKZEWXVHZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141962
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1C)C)C)C(=O)OC	PC-id_20176271	447.617	IJPLSCUPMWFKFM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141963
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)CC)C)C(=O)OC	PC-id_20176335	447.617	IUBXGVPJUQTQCC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-141964
NC(=O)c1c(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c1CCC2	EMOLS-id_43679786,MCULE-7440351754,ZINC22_9562004,CoCoCo_2787129,PC-id_3895960	447.72	LAQXLHUYCNRPIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141965
CC(CC(=O)c1c2CCCc2c(s1)C(=O)OC)(c1cc(c(c(c1)Cl)Cl)Cl)O	SCHEMBL15199016,PC-id_89759461	447.76	LXAQUAMUEHNWOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141966
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-6600838004,BAS-00354931,STOCK1S-54327,EMOLS-id_1202180,PC-id_3101968,TIMTEC326069	447.763	NBHFVCDRCAASSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141967
Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1Cl	PC-id_17111632,ZINC22_8832474	447.763	YDSWXDVPYUIKSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141968
COC(=O)c1c(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49059,ZINC22_822207,PC-id_1098570	447.763	NBHFVCDRCAASSB-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141969
COC(=O)c1c(N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_822208,PC-id_1098571,CoCoCo_49058	447.763	NBHFVCDRCAASSB-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141970
c1(NC(=O)CS(=O)Cc2c(Cl)ccc(Cl)c2Cl)sc2c(CCC2)c1C#N	EMOLS-id_320679531,MCULE-5257628558	447.786	CVEULTPLBXFAAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141971
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCc2c(F)cccc2F)cc1	PC-id_16947462	447.885	GIXXPQLKGSBIDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141972
C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c2ncnn12	ZINC22_1470089671	447.895	XZXMVUYENODLSL-BDJLRTHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141973
C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c2ncnn12	ZINC22_1470089675	447.895	XZXMVUYENODLSL-BZNIZROVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141974
C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c2ncnn12	ZINC22_1470089678	447.895	XZXMVUYENODLSL-MEDUHNTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-141975
C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c2ncnn12	ZINC22_1470089682	447.895	XZXMVUYENODLSL-ZBEGNZNMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141976
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(CO)CO)C)Cl	PC-id_134599061,SCHEMBL20252962	447.912	QZXBWPZSMCPSTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141978
Fc1cccc(Cl)c1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324822010	447.912	DVZODPYXCGSKTA-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141979
n12c(=O)c(=Cc3c(cccc3F)Cl)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8571650075	447.912	DVZODPYXCGSKTA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-141980
Clc1ccc(cc1)CCCC(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69480441,SCHEMBL5539049	447.915	GGRISQXYICHWDJ-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141981
Clc1ccc(cc1)CCCC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5539056,PC-id_23081535	447.915	GGRISQXYICHWDJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141982
Clc1ccc(cc1)CC(=O)N(C1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_69479369,SCHEMBL5535593	447.915	LXVDIMLMJUEVKX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141983
O=C(Cc1ccc(cc1)Cl)CNC1CCCCN1CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_140503027	447.915	NYHWJOFLPMXFCJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141984
Clc1ccc(NC(=O)Nc2c(n3c(CCC3)c2C#N)C(=O)Nc2cc(cc(c2)C)C)cc1	PC-id_77461189	447.917	SVHIOKZHUXRHSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-141985
C1CCN(C(C1)C(=O)O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20353930,PC-id_135200348	447.935	SEWWJONMOTVSMM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-141986
c1(NC(=O)C2CC(=O)N(c3c(OC)ccc(Cl)c3)C2)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329816,MCULE-5215589273	447.935	QMUFBYJBMKOGJY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-141987
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCC(CC4)C(=O)OC)c3n2)cc1	PC-id_16947344	447.935	VCHYJMCKKUFELK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-141988
O=C(C1CCCCC1C(=O)O)Nc1sc2c(c1C(=O)Nc1ccc(nc1)Cl)CCC2	PC-id_142393441	447.935	XQLPVMCYRNRBKI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-141989
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CCC2)cc1	PC-id_77218707	447.938	RGMSYQKKRPSTCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141990
Clc1ccc(NC(=O)C(=O)N[C@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)CCC2)cc1	SCHEMBL1503837,PC-id_67056467	447.938	RGMSYQKKRPSTCQ-ZIAGYGMSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141991
O=C(C1CCCCC1C(=O)N)Nc1sc2c(c1C(=O)Nc1cnc(cn1)Cl)CCC2	PC-id_142393489	447.938	RVZOHKCDNGZDJT-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-141992
Clc1ccc(OCc2cc(sc2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_19503300	447.955	AUKRRVQXERSMTJ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-141993
Clc1cc(OCc2cc(sc2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_19505152	447.955	HOHWDSCTWQNJML-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-141994
Clc1c(OCc2cc(sc2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_19503054	447.955	CTTQPTKMSQVBAM-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-141995
O=C(Cc1c2C(CCn2c(=S)n1C)Cc1cc(Cl)ccc1F)NCc1cnn(c1)C	PC-id_139293440,SCHEMBL21135919	447.957	MCVBDXGQTHSQOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141996
Clc1cc(N(S(=O)(=O)c2cc(C(=O)Nc3sc4CCCc4n3)ccc2)C)ccc1	PC-id_26723170	447.958	BLZDSCQMNMGPQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141997
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nn2)C)cccc1	PC-id_41224246	447.962	GQEKTMYFTYZWIE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-141998
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)nc2)cc1	PC-id_20178610	447.962	ZQDNXCKAOMVBIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-141999
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)nc2)ccc1	PC-id_20179150	447.962	BPSWJCDDGCTDLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142000
Clc1cc(n2c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nnc2)ccc1C	PC-id_32031569	447.962	YEFWZZOKBICWDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142001
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)nc2)cccc1	PC-id_20178697	447.962	NKJZCBOPCIQKRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142002
Cn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccc(Cl)cc1	ZINC22_3390233,MCULE-5597326229,EMOLS-id_3297419,PC-id_2508420,SCHEMBL21045380,CoCoCo_2823196	447.962	XTBQSJWAQCYIHO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142003
Clc1c(CN2CC[NH+](CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)c(F)ccc1	PC-id_52546513	447.977	ZQVHIPCYOJCCGL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-142004
C1CCC(C(C1)C(Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl)O)C(=O)N	SCHEMBL20353904,PC-id_135200323	447.978	LSEJHIZEVLEKEG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142005
CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3Cl)CC2)sc2c1CCC2	MCULE-2740080116,PC-id_25691475,CoCoCo_3371710,CoCoCo_3371711,ZINC22_13056400,EMOLS-id_43858524	447.978	VYZOGCJZFWBGDT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142006
CCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc2c1CCC2	ZINC22_35447158,PC-id_2685333,MCULE-7102352113,CoCoCo_3372078,CoCoCo_3372079,EMOLS-id_43858596	447.978	SPZHHQOYGXATBQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142007
Clc1ccc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_22195790	447.978	KQEDWTXYMPQMOS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142008
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_22195215	447.978	KFWBCZQRLCMEOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142009
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_22198447	447.978	HSQUBEVRGJCOPA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142010
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(cc1)C	PC-id_22199250	447.978	BXKLXSJFTOECCK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142011
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_22194644	447.978	STBYRZSUHIQPPO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142012
c1(NC(=O)CCCC(=O)N2CCN(CC2)c2cccc(Cl)c2)n(C)nc2CSCc12	ZINC22_604419447,SPECS-id_AO-022/43514606,EMOLS-id_188948107,STOCK7S-69635,MCULE-7905495863	447.981	SBPOTJSRSGXHCV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142013
CCCCCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1occc1Cl	PC-id_20356097,SCHEMBL11663354	447.995	BZDVJVZUDROYLT-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-142014
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278685	448.058	YCWIQKZYURYELZ-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-142015
CC(C(F)(F)F)NC(=O)NC1=C2CCCN2C(=C1Cl)C(=O)CC3=CC(=NC=C3)Cl	PC-id_155278774	448.068	PLHNOFYVGQIJQS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142016
CC(CO)NS(=O)(=O)NC1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278776	448.078	HVKUTHHOUWSWPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142017
CC1=C(SC(=N1)OC)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872169	448.088	LIPWCZOFQDEDDK-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142018
CC1=C(SC(=O)N1C)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872254	448.088	QRYPNFNLTOYZAZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142019
CCOC1=NC=C(S1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872018	448.088	GEYUMWMAERLFGY-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142020
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(C[S-](=C1)=O)C)C(=O)Nc1cc(c(cc1)F)F	PC-id_164096178	448.115	MASADRADSGZSPV-UHFFFAOYSA-N	00001110100000110000000010000000000000000000000000000000	25-01-142021
Ic1ccc(c(c1)Br)NC(=O)c1sc2c(c1)CCC2	PC-id_114259130	448.117	IVUYMLIOYDFEMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142022
O=C(c1sc2c(c1)CCC2)Nc1ccc(c(c1)I)Br	PC-id_114259362	448.117	CWTDQZLVDRMPJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142023
C[C@@H](CS(=O)(=O)CCCC1=CN2C(=C1)C(=O)NC2=O)C3=CC(=C(C=C3)F)OCC4CC4	PC-id_160175967	448.147	PDQMZSAQGDNDQV-AWEZNQCLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-142024
C[C@@H](CS(=O)(=O)CCCN1C=C2C(=C1)C(=O)NC2=O)C3=CC(=C(C=C3)F)OCC4CC4	PC-id_160515333	448.147	QTOPCBTVIBFIAY-AWEZNQCLSA-N	00100010100000110000000010000000000000000000000000000000	25-01-142025
C1CC(=C(C=C1)C2CCN(CC2)C(=O)C3=NNC4=C3CN(C4)CC(F)(F)F)C(F)(F)F	PC-id_151886028	448.17	SPSKCSABCDWUSN-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-142026
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=NC=C3)C(=N1)NC(=O)C4=CC=C(C=C4)N(C)C	PC-id_165180393	448.186	BMBXHZBGFPFVOR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142027
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CN=CC=C3)C(=N1)NC(=O)C4=CC=C(C=C4)N(C)C	PC-id_165180388	448.186	VDPAIZQZHVTRFN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142028
N#Cc1nc2n(c1Br)C[C@H](O2)COc1ccc(c(c1)F)C(C(F)(F)F)(C)C	PC-id_140261679	448.21	VURIEXGDWIHDHJ-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-142029
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)OC(C)(C)C)NC(=O)C3(CCC3)[Si](C)(C)C	PC-id_160688989	448.251	RPDXFNKUUVQZAV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-142030
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1nnc[nH]1)c2=O	MCULE-5454358156	448.254	HSBQSHAGFGVQON-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142031
O=C(COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O)Nc1nnc[nH]1	ZINC22_256055458,PC-id_117588424	448.254	HSBQSHAGFGVQON-WCIBSUBMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142032
CC1=C2CCC(C2=NN1)C(C)C(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CCC(C5)(C)O)C	PC-id_153404015	448.259	ABYANNMAMBQKQJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-142033
CCN1C[C@@H](N(C[C@H]1C)C(N2CC3=C(C2(C)C)NN=C3NC4=NC(=NC=C4F)OC)O)C	PC-id_147730509	448.271	GYIBUTSJSRCOFF-OBIPXCIUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-142034
CC(C)(C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2)n1cc(Br)cn1	ZINC22_36614280,MCULE-6116099239,EMOLS-id_8868138,PC-id_19614060	448.281	XIMOFKFFFAICOO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142035
CCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324846323	448.322	GLXKANRMAAUCKF-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142036
CCOc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324847351	448.322	ZDVZTLDTHMIHJZ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142037
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3cc(C)ccc3O)/c(=O)n2n1	EMOLS-id_324914701	448.322	WRVFURGBSSKFSE-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142038
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	EMOLS-id_324879366	448.322	OJYORWNVKUYGHA-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142039
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324881924	448.322	HJFYMHKXYXXOEC-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142040
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_324880389	448.322	RXKKLDILZFSWPU-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142041
COc1ccccc1/C=c/1sc2nc(nn2c1=O)C(C)Oc1ccc(Cl)cc1Cl	EMOLS-id_324914185	448.322	PSVGUXFUPVFBCP-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142042
COc1ccc(Cc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1OC	EMOLS-id_324926475	448.322	YCVORDUCIDTNIF-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142043
COc1ccc(Cc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1OC	EMOLS-id_324924938	448.322	SGKNLWSEMUZEHC-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142044
COc1ccc(Cc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324923403	448.322	WZDVYNYXBZQELY-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142045
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1	EMOLS-id_324912648	448.322	QENDLJWBMHNOTN-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142046
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)c1	EMOLS-id_324911114	448.322	HBNZQCJSBHFOGH-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142047
n12c(=O)c(=Cc3ccccc3OC)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-4259822837	448.322	PSVGUXFUPVFBCP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142048
n12c(=O)c(=Cc3ccc(cc3)OC)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-9964541096	448.322	QENDLJWBMHNOTN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142049
n12c(=O)c(=Cc3cc(C)ccc3O)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-1773345951	448.322	WRVFURGBSSKFSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142050
n12c(=O)c(=Cc3cccc(OC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-9828201556	448.322	HBNZQCJSBHFOGH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142051
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-6652976695	448.322	SGKNLWSEMUZEHC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142052
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)COc1ccc(cc1)OCC	MCULE-4475714261	448.322	HJFYMHKXYXXOEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142053
n12nc(nc1sc(=Cc1ccc(cc1)O)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2843694875	448.322	JOYGCLFFGNYENF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142054
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)COc1ccc(cc1Cl)Cl	MCULE-1238992379	448.322	GLXKANRMAAUCKF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142055
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-6660431982	448.322	WZDVYNYXBZQELY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142056
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-7529946299	448.322	YCVORDUCIDTNIF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142057
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1ccc(cc1)OCC	MCULE-8675888407	448.322	OJYORWNVKUYGHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142058
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)COc1ccc(cc1)OCC	MCULE-9634889307	448.322	RXKKLDILZFSWPU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142059
n12nc(nc1sc(=Cc1cccc(O)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-4828829016	448.322	OOTUVJPSCPLMIV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142060
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccc(cc1Cl)Cl)c2=O)C	MCULE-8661208541	448.322	LKFISSJPIIMZKH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142061
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-7492444455	448.322	ZDVZTLDTHMIHJZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142062
Oc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324916225	448.322	JOYGCLFFGNYENF-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142063
Oc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324918275	448.322	OOTUVJPSCPLMIV-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142064
c12NC(=O)C(CC(=O)Nc3ccc(cc3Cl)Cl)n1nc(SCc1ccccc1)n2	MCULE-3500743679,PC-id_135629894,EMOLS-id_17110461,STOCK6S-53888	448.326	LQJVPJGAGWXOPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142065
O=C(C[C@@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1ccc(Cl)cc1Cl	PC-id_135904117,ZINC22_13730131	448.326	LQJVPJGAGWXOPY-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-142066
O=C(C[C@H]1C(=Nc2nc(SCc3ccccc3)nn12)O)Nc1ccc(Cl)cc1Cl	PC-id_135904118,ZINC22_13730134	448.326	LQJVPJGAGWXOPY-HNNXBMFYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-142067
Clc1cc(n2c(c(cc2C)C(=O)COC(=O)c2sc3CCCc3c2)C)ccc1Cl	PC-id_4392490	448.362	QEFSHNTYUABSOT-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-142068
ClC1Cc2c(S1)n(c(c2C(C(=O)Nc1ccncc1)O)C)Cc1ccc(cc1)Cl	PC-id_144259595	448.365	BYXOOLXPEZPUQM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142069
Brc1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3CCCc23)cc1	EMOLS-id_1997958,MCULE-9718079274,CoCoCo_865462,CHEMBL1368932,ChEMBL-DNDi_CHEMBL7002733,ZINC22_15987974,PC-id_1328197,ChEMBL-DNDi_CHEMBL1368932	448.377	ACOUNODSTXBBNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142070
CCCCCCCCCCCCCCCCCC1=NC2=C(S1)CN(C2)CCCCCC	PC-id_153963093	448.385	MNDVUJDBEHGYRB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142071
[O-][N+](=O)c1nc2n(c1)C[C@](O2)(C)COc1ccc(cc1)c1noc(c1)COc1ccccc1	PC-id_117999645,SCHEMBL16624966	448.428	WUODRTWIMJUVJM-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142072
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CCOCC1)O[C@H](C(F)(F)F)C	SCHEMBL17214196,PC-id_118479348	448.438	IZQCTHTXIFPVBR-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142073
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cnn2CC1CCOCC1)O[C@H](C(F)(F)F)C	SCHEMBL18501296	448.438	VEYFLJOKHDFIPQ-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142074
OC(=O)N1CC2(C1)c1ccccc1N(C2=O)Cc1nc2c(n1CCCC(F)(F)F)CCC2	PC-id_139484381,SCHEMBL21351534	448.438	NBQBVJNKZQLBPU-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-142075
c12c(CCC1C(=O)OCC)sc(NC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)n1)n2	PC-id_146025464,MCULE-5561907943	448.44	UUKHSHFSNAAABM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-142076
s1c2c(CCC2)c(c1NC(=O)c1noc(c1COc1c(F)cc(F)cc1)C)C(=O)OC	PC-id_19483889	448.44	MAXADRGVDKQSQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142077
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)N[C@@](C1=O)(C)c1ccc(c(c1)F)F	CoCoCo_4268603,PC-id_40811739,GD-id_ZINC08750842	448.443	BXXXFUSTOPOGKF-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142078
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)N[C@](C1=O)(C)c1ccc(c(c1)F)F	CoCoCo_4268604,PC-id_40811742	448.443	BXXXFUSTOPOGKF-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142079
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1cc(F)c(F)cc1)C)C(=O)N	PC-id_16282799	448.443	BXXXFUSTOPOGKF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142080
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1c(F)ccc(F)c1)C)C(=O)N	PC-id_38966511	448.443	CSHYCGRJOWXVEN-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142081
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1c(F)ccc(F)c1)C)C(=O)N	PC-id_38966514	448.443	CSHYCGRJOWXVEN-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142082
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1c(F)ccc(F)c1)C)C(=O)N	PC-id_85506417	448.443	CSHYCGRJOWXVEN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142083
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1C)N(=O)=O)C(=O)OC	MCULE-3126948851,PC-id_19237178	448.446	IHIMIESXMPLERD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142084
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(c(C)c1)N(=O)=O)C(=O)OC	PC-id_19237200,MCULE-8499583379	448.446	AXPOVUDDELWTGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142085
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCC2	CoCoCo_2959103,EMOLS-id_15247263,ZINC22_9583846,MCULE-1606393912,PC-id_16250013	448.446	JCRQXBFZJKBCNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142086
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccnc1N	PC-id_67009321,SCHEMBL1372045	448.446	LSUWQCYSYMRTGM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142087
s1c2c(CCC2)c(c1NC(=O)COc1c([N+](=O)[O-])cc(cc1)C(=O)OC)C(=O)OCC	PC-id_30122566	448.446	BIXTZAMSKBKDJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142088
CCOP(OCC)OCCCNc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_70962459,SCHEMBL13659068	448.449	HHOJTBOSJVBREF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142089
CCOP(=O)(OCC)CCCNc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	PC-id_59810541,SCHEMBL13652920	448.449	RINZSNCVOFPKDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142090
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5267049303,EMOLS-id_334391570	448.45	SBUCJZFHDHGFFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142091
NC(=O)c1c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCC2	PC-id_24382306,MCULE-6598369133,EMOLS-id_33329428,ZINC22_20889995	448.45	UJHRWIXLKZJXLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142092
O=C(c1sc2c(c1)CCC2)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccncn1	SCHEMBL9984360,PC-id_46221730	448.473	SWNANHJTBSRZKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142093
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1cccs1	MCULE-1706048417	448.474	VLEXAVGDWMSJOH-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-142094
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1cccs1	MCULE-5562258419	448.474	MIZFQQQSNOWMMI-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-142095
C1Cc2nnc(n2C1C(=O)N1CCN(CC1)c1ncccn1)CNC(=O)Nc1cnccc1	PC-id_134788150	448.481	IJYPJHHQBDYBTG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-142096
CC(C)CC(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268535,SCHEMBL17505282	448.481	XWDFFNALMUMJQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142097
CC(C)(C)C(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268536,SCHEMBL17505223	448.481	ZXPFIPDQWIBMCM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142098
CCC(C(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F)C	PC-id_138678097,SCHEMBL21049684	448.481	BPPGLRKVUNTXPU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142099
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1cc(c(cc1)F)F)C(=O)O	PC-id_135188123,SCHEMBL20340288	448.483	PQYKJNCVSIOZBP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142100
c1(NC(=O)CSc2nc(C3CC3)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C#N	PC-id_5089430,EMOLS-id_27511198,ZINC22_12955876,MCULE-3913205863	448.485	VCJYRUILKYKFRC-UHFFFAOYSA-N	00100010100000101000100010000000000000000000000000000000	25-01-142101
CCOC(=O)c1c(NCC(c2ccc(cc2F)F)(Cn2ncnc2)O)sc2c1CCC2	SCHEMBL1977045,PC-id_67234621	448.486	YIIWSPKGOWXCCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142102
COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	MCULE-9767866719,ZINC22_3304735,CoCoCo_3373730,EMOLS-id_3178990,PC-id_2420374	448.489	DLDQJXKRXLPLQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142103
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c([nH]c1C)C(=O)OCC)C)C(=O)OC	PC-id_16501847	448.489	LBSVBGMSUZBDHO-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-142104
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C(=O)OC	PC-id_16508506	448.489	VAQMUEIVJZLOED-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-142105
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_4275369	448.489	BMLDVVMMBWIUQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142106
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1occc1)C(C)C)C(=O)OC	PC-id_51581795	448.489	BAHYHGPCUQORHW-KRWDZBQOSA-N	00000010101000000000000010000000000000000000000000000000	25-01-142107
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1occc1)C(C)C)C(=O)OC	PC-id_51899147	448.489	BAHYHGPCUQORHW-QGZVFWFLSA-N	00000010101000000000000010000000000000000000000000000000	25-01-142108
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)C(C)C)C(=O)OC	PC-id_45623816	448.489	BAHYHGPCUQORHW-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-142109
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccccc1	PC-id_16861651	448.556	AWBLVPVQFYIKLP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142223
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)Nc1nc(CC)ncc1F	SCHEMBL3326625,PC-id_59333955	448.491	XQYGUEBLBQQMKJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-142110
COC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)/c2ccccc2)sc2c1CCC2	ZINC22_408575618	448.491	ODPNSCJTZFEHJT-XMHGGMMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-142111
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(C(=O)c2ccccc2)cccc1)C(=O)N	PC-id_4555560	448.491	OZGKUHVVWIBLSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142112
c1(C(=O)N2CCC(CC2)c2ccc(c(N)n2)C(=O)Nc2ccc(cc2)F)c2CCCc2[nH]n1	BDC-24756226,PC-id_110085340,EMOLS-id_147115,MCULE-7975061800,ZINC22_19765887	448.493	ODCCEAMGXFFFFI-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-142113
CCOC(=O)c1c(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCC2	ZINC22_15125645,MCULE-3022269311,CoCoCo_3373886,EMOLS-id_43859159,PC-id_24406569	448.493	UASSOMGQZCYTIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142114
CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1onc2CCCc12	PC-id_16942325,CoCoCo_5123841,MCULE-4004232825,EMOLS-id_12336509,ZINC22_8976412	448.493	PEKXNSOBBQMPHM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142115
c1(NC(=O)c2[nH]nc(c3ccccc3O)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	TIMTEC225174,ZINC22_9446287,CoCoCo_6285529,CoCoCo_6285530,STOCK5S-59173,EMOLS-id_4692163,MCULE-9558655165	448.494	ISZJZYTUKWBVHX-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-142116
c1(NC(=O)COc2cccnc2NC(=O)c2ccccc2OC)sc2c(CCC2)c1C#N	MCULE-3614208686,EMOLS-id_321804155	448.494	XBXIIPTVXHYXPR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142117
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_321804411,MCULE-1838525812	448.494	MBMPUIXSTNIRKU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142118
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(OC)cc2)sc2c(CCC2)c1C#N	EMOLS-id_321804667,MCULE-9992613001	448.494	XMBFBTJRWYNTGM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142119
c1(NC(=O)COc2cccnc2NC(=O)COc2ccccc2)sc2c(CCC2)c1C#N	MCULE-9132286712,EMOLS-id_321803644	448.494	CYTVNVOJBIELEO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142120
c1(NC(=O)COc2cccnc2NC(=O)Oc2cccc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_321769980,MCULE-8044606263	448.494	KJVWFECBJVALSI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142121
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(C)cc2)sc2c(CCC2)c1C#N	EMOLS-id_321773307,MCULE-9642815186	448.494	UWPNCOOYDUFDNQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142122
c1(NC(=O)COc2cccnc2NC(=O)OCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-4207313364,EMOLS-id_321794342	448.494	WXXXETIOZIDDRU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142123
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1csc2c1S(=O)(=O)C(C2)C	PC-id_14153189,SCHEMBL9833452	448.494	JPNVQNHTUGQSBK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-142124
COCCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1)C)F	SCHEMBL16882673,PC-id_118214182	448.494	ZHQOIWYGFCANGO-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-142125
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C=CC=C2)/NN1)C(=O)NCc1occc1	PC-id_5615039	448.494	VWPZQRJAQLNJAL-PEZBUJJGSA-N	00000011101011000001100010000000000000000000000000000000	25-01-142126
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=CC=C2)NN1)C(=O)NCc1occc1	PC-id_6775524	448.494	VWPZQRJAQLNJAL-UHFFFAOYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-142127
c1(NC(=O)COc2cccnc2NC(=O)Nc2cc(C)ccn2)sc2c(CCC2)c1C#N	EMOLS-id_321904126,MCULE-1266119308	448.498	BIPXZYZJZSKZIB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142128
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(cccn2)C)sc2c(CCC2)c1C#N	EMOLS-id_321902847,MCULE-4222605814	448.498	BSTILYUCJGCGFU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142129
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cn2)C)sc2c(CCC2)c1C#N	MCULE-6655717751,EMOLS-id_321903870	448.498	IFPBJPVLVYXEIZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142130
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccnc(C)c2)sc2c(CCC2)c1C#N	MCULE-3443351479,EMOLS-id_321904127	448.498	OLCBFDZKJSGQII-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142131
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccccn2)sc2c(CCC2)c1C#N	MCULE-8498439551,EMOLS-id_321874041	448.498	WWLFUYMQLLMGMA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142132
c1(NC(=O)COc2cccnc2NC(=O)NCc2cccnc2)sc2c(CCC2)c1C#N	EMOLS-id_321873785,MCULE-6651214112	448.498	BWPNBKDDTHHUKZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142133
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccncc2)sc2c(CCC2)c1C#N	EMOLS-id_321873529,MCULE-7447934791	448.498	AITZBJVWJDOERP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142134
s1c2c(CCC2)c(c1Nc1nc(N2CCN(CC2)CCO)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127490	448.499	LDOCORAHKQXWSY-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-142135
s1c2c(CCC2)c(c1Nc1nc(NCCN2CCOCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127474	448.499	OXYWAFKLWZQJEC-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-142136
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1cc(ccc1)C(F)(F)F)C#N	PC-id_24588766	448.504	UMLXZZJZRVEYOC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142137
CCOC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)CCS2(=O)=O)sc2CCCc12	MCULE-4022489191,EMOLS-id_327849464	448.513	REXUBRWWGHBBAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142138
s1c2c(CCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OC)C(=O)OC)C(=O)OC	PC-id_20414532	448.513	PTEPOUSNNNHOLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142139
s1c2c(CCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC)C(=O)OC)C(=O)OC	PC-id_20414609	448.513	IAZPGMJPYOAXJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142140
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(c2ccc(cn2)Cc2cc(OC)ccc2OC)C1	MCULE-8047159550,EMOLS-id_262929,BDF-25255147	448.514	QJLITZQCNSVYES-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-142141
Cn1c2c(CCC2)c(n1)CN(Cc1ccco1)C(=O)C1CC(=O)N(C1)c1cc(ccc1)OC	PC-id_86266525,EMOLS-id_50145224,MCULE-5390792518	448.514	PZRRPKATJYSBNE-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-142142
COc1ccc(cc1)N1CC(CC1=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109426	448.514	OFTKVVYVHADELP-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-142143
COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_99996142	448.514	PZRRPKATJYSBNE-QGZVFWFLSA-N	00000010101000110001100010000000000000000000000000000000	25-01-142144
COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_99996145	448.514	PZRRPKATJYSBNE-KRWDZBQOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-142145
COc1ccc(OC)c(Cc2ccc([C@@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)nc2)c1	ZINC22_19692310	448.514	QJLITZQCNSVYES-QHCPKHFHSA-N	00000010100010111001100010000000000000000000000000000000	25-01-142146
COc1ccc(OC)c(Cc2ccc([C@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)nc2)c1	ZINC22_19692311	448.514	QJLITZQCNSVYES-HSZRJFAPSA-N	00000010100010111001100010000000000000000000000000000000	25-01-142147
c1(C(=O)N[C@H]2Cc3n(ncc3C(=O)NCc3ccccc3)C2)noc(C)c1CN1CCCC1	MCULE-3566717037,EMOLS-id_316318520	448.518	RDIMJOOCSYAGLW-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142148
CCOc1ccccc1OC1CCCN(C1)c1ncc(cn1)C(=O)N1Cc2c(C1)cnn2C	SCHEMBL17077492,PC-id_118366199	448.518	NAIPWYBRGWQWSY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142149
CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)N1Cc2cnn(C)c2C1	BindingDB-id_636527,BindingDB_PC-id_118366197,PC-id_118366197,SCHEMBL17077490	448.518	NAIPWYBRGWQWSY-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142150
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_66941841,SCHEMBL1206505	448.518	DDZMUAKMLZHEEB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142151
CN(CC(c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	PC-id_66941623,SCHEMBL1205865	448.518	ZMPMPUBMLBVMOQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142152
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_24765897,BindingDB_PC-id_24765897,SCHEMBL1206502	448.518	DDZMUAKMLZHEEB-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142153
CN(C[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	SCHEMBL1205861,PC-id_24765606	448.518	ZMPMPUBMLBVMOQ-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142154
O=C(c1cnn2c1CC(C2)NC(=O)c1noc(c1CN1CCCC1)C)NCc1ccccc1	MCULE-4616432972	448.518	RDIMJOOCSYAGLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142155
CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cnccn1)C	PC-id_69078061,SCHEMBL4523050	448.521	XHLTUKXMUAKCMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142156
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cnccn1)C	PC-id_58015687,SCHEMBL4523040	448.521	XHLTUKXMUAKCMC-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142157
CCNC(=NCc1nnc2n1CCC2)NCC1(CCCCC1)c1cccc(c1)C(F)(F)F	PC-id_111499167	448.528	SHMIGLQDZMIFOI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142158
Cc1cc(c(c(c1)C)C(c1ccccc1)N1CCN(CC1)C(=O)c1nn2CCOc2c1F)C	PC-id_91960088	448.532	RNBGUYIFFJLJIX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142159
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388753,MCULE-6674709484	448.533	SRKHEWDKOKWWAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142160
c1(c2CCCc2sc1N=Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)C(=O)OCC	MCULE-1283803165,PC-id_41271134	448.534	KUZGLUDFUVUONE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142161
c1(NC(=O)c2ccc(cc2)OC(=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329518,MCULE-6661413968	448.534	HIMYCKRQSOLDEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142162
c1(NC(=O)c2cccc(c2)OC(=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330018,MCULE-4321781506	448.534	XDCLVVLAASGGRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142163
c1(NC(=O)c2ccccc2OC(=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9552634504,PC-id_18883694	448.534	UWRCUOOFUMANPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142164
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)N	PC-id_73551540,MCULE-6644989853	448.534	ILLDVLBKTXMULE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142165
CCOC(=O)c1ccc(cc1)NC(=O)c1c(/N=Cc2ccc(cc2)OC)sc2c1CCC2	CoCoCo_6250484	448.534	KUZGLUDFUVUONE-YSMPRRRNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142166
CCOC(=O)c1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2ccc(OC)cc2)cc1	PC-id_16469640,EMOLS-id_46388713,ZINC22_9907651,CoCoCo_6250483	448.534	KUZGLUDFUVUONE-CVKSISIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142167
CCOC(=O)c1c(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)sc2c1CCC2	ZINC22_585655874	448.534	YJEPYGBKNBQERC-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142168
CCOC(=O)c1c(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)sc2c1CCC2	ZINC22_585655875	448.534	YJEPYGBKNBQERC-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142169
CCOC(=O)c1c(NC(=O)C(NC(=O)c2ccccc2)c2ccccc2)sc2CCCc12	MCULE-8836492030,EMOLS-id_170717141	448.534	YJEPYGBKNBQERC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142170
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_321741867,MCULE-3475731924	448.534	OOJMBGSFLNIYHU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142171
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)sc2c1CCC2	MCULE-2059079541,CoCoCo_3574919,ZINC22_34856329,PC-id_2458148,EMOLS-id_3340343	448.534	RZBCGINAQBPZIA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142172
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCc2ccccc2)cc1)C(=O)N	PC-id_19173949	448.534	ILLDVLBKTXMULE-ACCUITESSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142173
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)Cc1ccc(cc1)c1ccccc1)C)C(=O)N	PC-id_37291175	448.534	FLENHZVXJPFJKQ-OAHLLOKOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142174
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)Cc1ccc(cc1)c1ccccc1)C)C(=O)N	PC-id_37291176	448.534	FLENHZVXJPFJKQ-HNNXBMFYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142175
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(CCc2ccccc2)cccc1)C(=O)N	PC-id_4560219	448.534	VUQUMVPGOJLOCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142176
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)Cc1ccc(cc1)c1ccccc1)C)C(=O)N	PC-id_74656504	448.534	FLENHZVXJPFJKQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142177
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N	PC-id_24355456	448.534	PGYDQRYZIOSYSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142178
s1c2CCCc2cc1C(=O)OCC(=O)N(CCCC)c1c(n(CCC)c(=O)[nH]c1=O)N	PC-id_16505634	448.536	QXCFYFXKIPGBEO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-142179
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)cc2)CC(=O)NCCOC)C1	PC-id_44052994	448.536	ZZVKSJDFCCDZIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142180
c1(NC(=O)C=Cc2ccccc2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	PC-id_30862807,MCULE-4864573499	448.537	GJZJGVZMORNEQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142181
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CC)sc2CCCc2c1C#N	MCULE-4176928959,EMOLS-id_332715332	448.537	LCZOAWKGHSKUDU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142182
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)cc1	EMOLS-id_324837365	448.537	BOIVKOPWVLIGIG-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142183
CCOc1ccccc1NC(=O)CCc1nnc2n1c(=O)/c(=C/CCc1ccccc1)/s2	NSC625833	448.537	HFMMIAGEXRUHSN-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142184
COc1ccc(cc1)CNC(=O)Cn1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2	CoCoCo_5277794	448.537	GJZJGVZMORNEQZ-FMIVXFBMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142185
COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)/C=Cc2ccccc2)CSC3)cc1	ZINC22_35127762,EMOLS-id_45809278,CoCoCo_5277793,GD-id_ZINC35127762	448.537	GJZJGVZMORNEQZ-XFXZXTDPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142186
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)Cc1ccccc1	MCULE-1265135638	448.537	BOIVKOPWVLIGIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142187
S(=O)(=O)(NC1CCC(CC1)C)c1cc([N+](=O)[O-])c(NCCc2n3CCCc3nn2)cc1	PC-id_78857917	448.539	DXRYTOGLBWERPR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142188
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)OCC)C(=O)NC1CCS(=O)(=O)C1	TIMTEC205574,EMOLS-id_10105456,MCULE-8457757714,PC-id_17012689	448.556	HXLAWEZUFXMZIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142189
c1(c2CCCc2sc1NC(=O)c1cccc(OCC)c1)C(=O)NC1CCS(=O)(=O)C1	EMOLS-id_10105468,TIMTEC446750,MCULE-3770764724,PC-id_17012694	448.556	SGBCQGZUEPXYGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142190
c1(c2CCCc2sc1NC(=O)COc1ccccc1C)C(=O)NC1CCS(=O)(=O)C1	TIMTEC249551,MCULE-2714486094,PC-id_17012675,EMOLS-id_10105442	448.556	JUEFBNRAYVWJHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142191
c1(c2CCCc2sc1NC(=O)COc1ccc(cc1)C)C(=O)NC1CCS(=O)(=O)C1	TIMTEC61095,PC-id_17012683,EMOLS-id_10105450,MCULE-3367286525	448.556	ASCYGYFZSUOLDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142192
c1(c2CCCc2sc1NC(=O)COc1cccc(C)c1)C(=O)NC1CCS(=O)(=O)C1	TIMTEC481588,PC-id_17012684,EMOLS-id_10105452,MCULE-3784308300	448.556	UMVCRZCBRDBTAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142193
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c(CCC2)c1C(=O)OCC	ZINC22_2675025,PC-id_2131553,EMOLS-id_2365679,CoCoCo_674523,MCULE-8924283903	448.556	PAARKXCICBRQIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142194
c1(NC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	STOCK5S-04706,EMOLS-id_3743578,MCULE-7157928394,PC-id_3820338,ZINC22_9500801	448.556	DMUXOGGYYZEYCA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-142195
Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2	PC-id_35042664,ZINC22_27663069,CoCoCo_6329941	448.556	JUEFBNRAYVWJHW-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142196
Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2	PC-id_35042667,ZINC22_27663072,CoCoCo_6329942	448.556	JUEFBNRAYVWJHW-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142197
Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1	CoCoCo_6329955,PC-id_35042690,ZINC22_27663099	448.556	UMVCRZCBRDBTAN-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142198
Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1	PC-id_35042692,ZINC22_27663101,CoCoCo_6329956	448.556	UMVCRZCBRDBTAN-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142199
Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)cc1	PC-id_35042686,CoCoCo_6329953,ZINC22_27663095	448.556	ASCYGYFZSUOLDI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142200
Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)cc1	PC-id_35042688,CoCoCo_6329954,ZINC22_27663097	448.556	ASCYGYFZSUOLDI-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142201
C=CCN(c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1)S(=O)(=O)C	ZINC22_408615439	448.556	ACPNNIQMKRFLHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142202
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1)OC(=O)c1sc2c(c1)CCC2	MCULE-3827222472,EMOLS-id_3390753,PC-id_4779908	448.556	MNFLBTYLCBQWQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142203
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	PC-id_40943131,CoCoCo_2840836,ZINC22_9127455	448.556	MNFLBTYLCBQWQH-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142204
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	PC-id_40943132,CoCoCo_2840837,ZINC22_9127456	448.556	MNFLBTYLCBQWQH-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142205
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1	ZINC22_27663134,PC-id_35042721,CoCoCo_6329973	448.556	SGBCQGZUEPXYGX-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142206
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1	ZINC22_27663135,CoCoCo_6329974,PC-id_35042722	448.556	SGBCQGZUEPXYGX-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142207
CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)cc1	CoCoCo_6329963,PC-id_35042703,ZINC22_27663116	448.556	HXLAWEZUFXMZIE-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142208
CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)cc1	ZINC22_27663115,PC-id_35042702,CoCoCo_6329962	448.556	HXLAWEZUFXMZIE-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142209
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41086621	448.556	WJUYWQUJELREAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142210
s1c2CCCc2c(c1NC(=O)CCN(CCc1ncccc1)Cc1ccc(F)cc1)C#N	PC-id_60253334	448.556	YLIPJAJJJMFOEZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142211
s1c2c(CCC2)c(c1NC(=O)CCSc1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41325440	448.556	ZZZFLQCNIZKNOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142212
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCC(=O)c1c(sc(c1)C)C)C)C(=O)N	PC-id_24497619	448.556	CPBROAQYUVSHCJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142213
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCOC)cc1)C(=O)OCC	PC-id_17353734	448.556	FSMGRPHKSIYMDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142214
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCOCC)cc1)C(=O)OC	PC-id_17112884	448.556	GMSICNBHYHYRGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142215
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCOCC)ccc1)C(=O)OC	PC-id_17139859	448.556	FGEZTJRCIVMCPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142216
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCOC)cccc1)C(=O)OCC	PC-id_17355925	448.556	HWCJYMSUSBHQHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142217
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCOCC)cccc1)C(=O)OC	PC-id_17122979	448.556	QZJBMBDPOOJJIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142218
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_16827377	448.556	MCUJCWSOAUHHRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142219
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_24019440	448.556	CTEWTHNYDIVMQP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142220
S(=O)(=O)(N1CCCCC1)c1ccc(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_16505642	448.556	LWYVOQARJCASRA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142221
S(=O)(=O)(N1CCCCC1)c1cc(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1	PC-id_4655911	448.556	OTCFFOFBOWYJFE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142222
S(=O)(=O)(N1CCN(CC1)C(=O)COC(=O)c1sc2CCCc2c1)c1ccc(cc1)C	PC-id_16505603	448.556	LZKRZABHLNKLKV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142224
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_41363950	448.556	QYWVPZQNSKFZKZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-142225
S(SCCOC)CCOC(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_58607791	448.556	JETFXJXLTVJKHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142226
c1(C(=O)N2CCC(CC2)C2CC=CCN(Cc3cccc(OC)c3)C2=O)c2CCCc2[nH]n1	MCULE-6790243655,EMOLS-id_186517,BDE-24723522,PC-id_110260619	448.557	ZQMCNPZTVCSVLW-UHFFFAOYSA-N	00000010100010110111100010000000000000000000000000000000	25-01-142227
c1(NC(=O)CS(=O)CC(=O)c2ccc(c3ccccc3)cc2)sc2c(CCC2)c1C#N	MCULE-2471592501,EMOLS-id_320679276	448.557	RYEBKXXXCIRWIB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142228
COc1cccc(CN2CC=CC[C@@H](C3CCN(C(=O)c4n[nH]c5c4CCC5)CC3)C2=O)c1	PC-id_92620037,ZINC22_19698476	448.557	ZQMCNPZTVCSVLW-NRFANRHFSA-N	00000010100010110111100010000000000000000000000000000000	25-01-142229
COc1cccc(CN2CC=CC[C@H](C3CCN(C(=O)c4n[nH]c5c4CCC5)CC3)C2=O)c1	ZINC22_19698477,PC-id_92620038	448.557	ZQMCNPZTVCSVLW-OAQYLSRUSA-N	00000010100010110111100010000000000000000000000000000000	25-01-142230
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCN(CC(=O)N2CCCCC2)CC1	ZINC22_51364415	448.557	HLGSXEWVFMYGRV-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142231
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCN(CC(=O)N2CCCCC2)CC1	ZINC22_51364416	448.557	HLGSXEWVFMYGRV-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142232
O=C(N1CCN(CC1)CC(=O)N1CCCCC1)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_46861258	448.557	HLGSXEWVFMYGRV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142233
CCOC(=O)[C@H]1CCc2c1nc(s2)NC(=O)Cc1csc(n1)NC(=O)C1CCCC1	GD-id_ZINC38739445	448.559	RQWPVYLOSAUWHD-ZDUSSCGKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142234
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCc2s1	EMOLS-id_323367935,MCULE-5981702099	448.559	OTHRYJPPWGAZKY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142235
NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCC2	ZINC22_36329859,CoCoCo_3374135,ChEMBL-DNDi_CHEMBL1354807,CHEMBL1354807,MCULE-5630130160,PC-id_16364844,EMOLS-id_11812603	448.559	FEZMVGZASJYVIP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142236
s1c2c(CCC2)c(c1NC(=O)CSc1ncnc(N2CCOCC2)c1)C(=O)OCC	PC-id_45545972	448.559	ODFKKNXUHYBDQG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-142237
s1c2CCC(c2nc1NC(=O)C1CCCN(C1)C(=O)Nc1sccc1)C(=O)OCC	PC-id_49729876	448.559	RVALKQYAHSZJMT-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-142238
s1c2CCC(c2nc1NC(=O)C1CCN(CC1)C(=O)Nc1sccc1)C(=O)OCC	PC-id_49730169	448.559	ZNUFATPQTMRJNT-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-142239
S(=O)(=O)(N1CCN(CC1)C(=O)CCC(=O)Nc1sc2CCCc2n1)c1ccccc1	PC-id_33040823	448.559	QVSDJQKSBUUGSR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142240
s1c2CCCc2cc1C(=O)NNC(=O)c1c(nn(Cc2ccccc2)c1)c1sccc1	PC-id_24487355	448.56	JVEXLAGWFXELKO-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-142241
CC(Oc1ccc(cc1)NC(=NCc1nnc2n1CCC2)NCCCOc1ccccc1)C	PC-id_111860246	448.561	QZPPKPGNELMEGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142242
CCn1cc(C2CC(N(C)S(=O)(=O)N2)C(=O)Nc2sc3CCCc3c2C#N)c(C)n1	MCULE-1554852745,ASN-11770080,EMOLS-id_30550707,PC-id_46950441	448.562	GNBOQCOPTVDGHJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142243
CCn1cc([C@H]2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)N(C)S(=O)(=O)N2)c(C)n1	PC-id_52469596,ZINC22_57730455	448.562	GNBOQCOPTVDGHJ-HZPDHXFCSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142244
CCn1cc([C@H]2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)N(C)S(=O)(=O)N2)c(C)n1	PC-id_52469598,ZINC22_57730468	448.562	GNBOQCOPTVDGHJ-CVEARBPZSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142245
CCn1cc([C@@H]2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)N(C)S(=O)(=O)N2)c(C)n1	ZINC22_57730448,PC-id_52469595	448.562	GNBOQCOPTVDGHJ-JKSUJKDBSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142246
CCn1cc([C@@H]2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)N(C)S(=O)(=O)N2)c(C)n1	ZINC22_57730461,PC-id_52469597	448.562	GNBOQCOPTVDGHJ-HOTGVXAUSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142247
CCc1cc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)ncn1	PC-id_11676735,BindingDB-id_218944,BindingDB_PC-id_11676735,SCHEMBL1369123	448.564	UPIGRALRICWUDQ-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142248
n12N=C(C(C)(C)C)C(=NNc3n(CCC)c(c(n3)C#N)C#N)c1nnc2C(CCCC)CC	PC-id_59703017	448.567	XGLNBFZZIRXSRJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-142249
COC1CCC(CC1)NC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC2	SCHEMBL20353887,PC-id_135191774	448.576	SVKHSBLSCGNAQE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142250
CO[C@@H]1CC[C@H](CC1)NC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC2	SCHEMBL20344333	448.576	SVKHSBLSCGNAQE-MSBXVQKDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142251
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385682,MCULE-2746908604	448.577	TUDBBMAAKNTVFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142252
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2310560236,EMOLS-id_334331818	448.577	ZEEHDUFBOVYLFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142253
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1066082032	448.577	UZWLGNNBWAFWIS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-142254
c1(NC(=O)CCc2ccccc2OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330281,MCULE-7854877245	448.577	HUXFJZAVECAXEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142255
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7463277003,EMOLS-id_334328234	448.577	KGZHXFLZEDPKLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142256
c1(NC(=O)CCc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8832900183,EMOLS-id_334330537	448.577	RHQMIAKXUMKQPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142257
c1(NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2990895290,EMOLS-id_334327977	448.577	JLRAADPTUBYELC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142258
c1(NC(=O)C(C)Oc2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)NCc1ccccc1	PC-id_16437715,EMOLS-id_9831833,TIMTEC103183,MCULE-7772070196	448.577	CMSUUYGQQYRTQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142259
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3787352290,EMOLS-id_334328484	448.577	NOUSRTPBFJGVPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142260
c1(NC(=O)COc2ccccc2CC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8017563473,EMOLS-id_334333346	448.577	NBNUHZGZDVPAJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142261
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2700613048,EMOLS-id_334333345	448.577	XSWUHMXYXFOKOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142262
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6653437215,EMOLS-id_334329256	448.577	DPZULEWGPLTFQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142263
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7321731647,EMOLS-id_334328744	448.577	ORUHAEJVZPDIOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142264
Cc1cc(C)cc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCC3)c1	CoCoCo_6209804,ZINC22_16806630,PC-id_27350411	448.577	CMSUUYGQQYRTQJ-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142265
Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCC3)c1	CoCoCo_6209805,ZINC22_16806632,PC-id_27350413	448.577	CMSUUYGQQYRTQJ-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142266
CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334339239	448.577	UZWLGNNBWAFWIS-SDNWHVSQSA-N	00000010101000110000000010000000000000000000000000000000	25-01-142267
CCOC(=O)c1c(NC(=O)CN(C)C(c2ccccc2)c2ccccc2)sc2c1CCC2	ZINC22_57884616,MCULE-7934978087,EMOLS-id_48932744,CoCoCo_3573327,PC-id_2437770,CoCoCo_3573326	448.577	JHTDEBVYJRBWRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142268
s1c2c(CCC2)c(c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1)C(=O)OCC	PC-id_22197451	448.577	CQNXPFPSFJHJQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142269
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(C2SCCS2)cc1)C(=O)N	PC-id_41215308	448.579	RCQFRCRANFYIFW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142270
c1(NC(=O)CC(c2ccccc2)c2ccccc2)c2CSCc2nn1CC(=O)NCCC	PC-id_30862117,MCULE-1741589037,CoCoCo_5277507,EMOLS-id_24913155,ZINC22_23138778	448.58	HPBCPKXPNHUVRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142271
O=C(C1CCc2c1nc(s2)N)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	SCHEMBL11982261,PC-id_44230859	448.58	OKIOQHRDFOXEBF-WNMUNSQNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142272
O=C([C@@H]1CCc2c1nc(s2)C)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1cccnc1)O	PC-id_76322044,BindingDB_PC-id_76322044	448.58	OCDCTMROVJZCQS-FBHSLPMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-142273
O=C([C@@H]1CCc2c1nc(s2)N)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O	PC-id_76336500,BindingDB_PC-id_76336500	448.58	OKIOQHRDFOXEBF-DZCCDHAISA-N	00000010100000110001000010000000000000000000000000000000	25-01-142274
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(cc(N(CC)CC)cc1)C	PC-id_16947130	448.58	AKOVRYQILSJHLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142275
s1c2CCC(c2nc1N)C(=O)Nc1ccc(CC2NC(CC2)C(O)c2ccccc2)cc1	PC-id_74958578	448.58	OKIOQHRDFOXEBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142276
s1c2CC[C@@H](c2nc1N)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2ccccc2)cc1	PC-id_76322046	448.58	OKIOQHRDFOXEBF-XFGYDDDFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142277
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1	PC-id_44053395	448.58	ZOZZLUYDYWASDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142278
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)C(CC)c1ccccc1	PC-id_44053871	448.58	LROHBIGSOUVWTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142279
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)CCCc1ccccc1	PC-id_44053873	448.58	JHTXOYPMVHABSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142280
N#Cc1c(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)sc2c1CCC2	CoCoCo_3974582,PC-id_16352033,ZINC22_9737932,EMOLS-id_11796948,MCULE-3197645239	448.582	YBMJSEKUZJNAQW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142281
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)Cc1scc(n1)C)C(=O)N	PC-id_40880445	448.582	VOCSCIUAOFDHJD-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-142282
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1sccc1)C(=O)OC	PC-id_16497787	448.582	VWJVGOJUUGSADG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-142283
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)Cc1sccc1)C(=O)OCC	PC-id_16607361	448.582	CHNFPNYAAHIYQC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-142284
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)C)C(=O)OC	PC-id_19717582	448.582	XXRCNEKZKLSVCY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-142285
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)C)C(=O)OCC	PC-id_3368046	448.582	ZMZUBHYLFCVYCZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-142286
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)C)C(=O)OC	PC-id_16511366	448.582	SZHWSXZTNDUWGS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-142287
CCCCC[C@@H](/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O	PC-id_13216473,SCHEMBL10961751	448.592	OCSMMDSNHQBENE-NVUNJQMMSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142288
CCCCC[C@H](/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O	PC-id_13216474,SCHEMBL10991104	448.592	OCSMMDSNHQBENE-XZYWGSSPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142289
O(C1C(c2c(oc(c2)CCCCC(=O)OC)C1)C=CC(O)CCCCC)C1OCCCC1	PC-id_73178888	448.592	OCSMMDSNHQBENE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142290
O([C@H]1[C@@H](c2c(oc(c2)CCCCC(=O)OC)C1)C=C[C@H](O)CCCCC)C1OCCCC1	PC-id_54143498	448.592	OCSMMDSNHQBENE-IINHJOQHSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142291
O([C@H]1[C@@H](c2c(oc(c2)CCCCC(=O)OC)C1)C=C[C@@H](O)CCCCC)C1OCCCC1	PC-id_57272828	448.592	OCSMMDSNHQBENE-UQSUUFNWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142292
Fc1ccc(cc1)C(=O)Nc1sc2CCCc2c1CN1CCC(Cc2ccccc2)CC1	CoCoCo_4651613,MCULE-2180591339,ZINC22_2889308,CoCoCo_4651614,EMOLS-id_5663270,PC-id_2241430	448.595	YKLSJRWZAWAEFV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142293
c1(NC(=S)NCCc2ccc(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)OC	CoCoCo_6814966,EMOLS-id_4135290,PC-id_17381168,ZINC22_19648017,MCULE-7943728059,TIMTEC68950	448.599	BATCQPLETSTZFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142294
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)c2CSCc2nn1C(C)(C)C	CoCoCo_4972678,ZINC22_9363800,PC-id_5090887,EMOLS-id_5426279,MCULE-1582546828	448.602	GHOUUGSSLGVHNI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142295
s1c2c(CCC2)c(c1NC(=O)CN1CCCN(CC1)c1scc(n1)C)C(=O)OCC	PC-id_56070241	448.602	LPOZNZREKLZUOW-UHFFFAOYSA-N	00000010100000000101100010000000000000000000000000000000	25-01-142296
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1CCCCCC1)C(=O)N	PC-id_30638344	448.602	BEPKJHSIDKCVNP-UHFFFAOYSA-O	00000010100010000101000010000000000000000000000000000000	25-01-142297
s1c2c(CCC2)c(c1NC(=O)CSc1n(C2CCCCC2)c(nn1)C)C(=O)OCC	PC-id_16516629	448.602	DUPNAEZONKJWJE-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142298
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC)C(=O)OCC	PC-id_20125336	448.602	JHDUJJQQEUUXTG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-142299
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC)C(=O)OC	PC-id_20125615	448.602	QSGHBSYUUDSGKS-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142300
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)C)C(=O)OCC	PC-id_17265045	448.602	ZHPAZALJIAIBLC-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142301
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)C)C(=O)OC	PC-id_20128357	448.602	BEVBTJGKSSIPIO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142302
NC(=O)c1c(NC(=O)CSc2nn(c3ccccc3)c(=S)s2)sc2c1CCC2	CoCoCo_3088406,PC-id_2449213,MCULE-6668928859,EMOLS-id_3128820,ZINC22_3333076	448.605	BBCSVSVGPGISEN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142303
CCOC(=O)c1c(NC(=O)CCCCCC(=O)N2CCCCCCC2)sc2CCCc12	MCULE-1812649254,EMOLS-id_328196015	448.619	YPBSBAQIZDKVGO-UHFFFAOYSA-N	00000010100000000100000010000000000000000000000000000000	25-01-142304
COc1cc(C[NH2+]Cc2nc3n(c2)CCS3)ccc1OC[C@@H](C[NH+]1CCCCCC1)O	GD-id_ZINC12317065	448.622	MILNGXDZICDRPF-HXUWFJFHSA-P	00000010100000110101000010000000000000000000000000000000	25-01-142305
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053119	448.622	UJRXEIYROAGXKN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142306
s1c(NC(=O)CCN2C(C3N(CCC3)Cc3ccccc3)CCC2)c(c2CCCc12)C#N	PC-id_75944514	448.623	WTBWHCLTYGSNSB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142307
s1c(NC(=O)CCN2[C@H]([C@@H]3N(CCC3)Cc3ccccc3)CCC2)c(c2CCCc12)C#N	PC-id_52856851	448.623	WTBWHCLTYGSNSB-XZOQPEGZSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142308
s1c(NC(=O)CCN2[C@H]([C@H]3N(CCC3)Cc3ccccc3)CCC2)c(c2CCCc12)C#N	PC-id_52856853	448.623	WTBWHCLTYGSNSB-GOTSBHOMSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142309
Clc1c(ncc(Cl)c1Cl)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_3693645	448.708	NQCNUIPCWKSMHB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142310
Clc1ccccc1OCc1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324883973	448.721	GHQUAVOYSNRWRI-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142311
Clc1ccccc1OCc1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324882952	448.721	CHGRLCXNQMUKFF-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142312
Clc1ccc(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	EMOLS-id_324842234	448.721	KFYPXDNHQKGXAG-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142313
Clc1ccc(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_324845308	448.721	NHKOVYQGDBJUJQ-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142314
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1ccccc1Cl	MCULE-5558609512	448.721	GHQUAVOYSNRWRI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142315
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1ccc(Cl)cc1	MCULE-2414659979	448.721	KFYPXDNHQKGXAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142316
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1ccccc1Cl	MCULE-4889949960	448.721	CHGRLCXNQMUKFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142317
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1ccc(Cl)cc1	MCULE-9118532547	448.721	NHKOVYQGDBJUJQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142318
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)Cc1ccccc1	MCULE-9375719300	448.721	HNDFFNPLGZMHEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142319
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(Cc3ccccc3)nn2c1=O	EMOLS-id_324834555	448.721	HNDFFNPLGZMHEE-ZSOIEALJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142320
CSC(=C)C(=C)C([C@](c1nsnc1CC)(SC1=C(CC)Cc2c1scc2)C)C	SCHEMBL19578598	448.731	DSZRXUDZXWBOPA-PSRIUPCASA-N	00000011100000000001000010000000000000000000000000000000	25-01-142321
Brc1ccc(c(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cl	PC-id_92109369	448.741	LXBLEJGFXJYSHS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-142322
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1OCC	EMOLS-id_324912132	448.751	WUVYTGUQQPBSTM-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-142323
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCCC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-6276233298	448.751	WUVYTGUQQPBSTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142324
Clc1c(=O)n(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(c1)C(F)(F)F	PC-id_5094814	448.844	HTIRUGGBMNWNJO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142325
Clc1cc(S(=O)(=O)Nc2ccc(/C(=N/Cc3n4CCCc4nn3)/[O-])cc2)ccc1F	PC-id_52550862	448.878	KDFPQUPHALXJGF-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-142326
Clc1c(NS(=O)(=O)c2ccc(F)cc2)cc(/C(=N/Cc2n3CCCc3nn2)/[O-])cc1	PC-id_37334424	448.878	BDVWKWAWEFQTIQ-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-142327
COCCn1nc2c(c1)CN(C2)C(=O)Nc1nc(ccc1[N+](=O)[O-])c1ccc(s1)Cl	PC-id_142527816	448.883	WLPGCUUQNVCMPG-UHFFFAOYSA-N	00000010100100101001100010000000000000000000000000000000	25-01-142328
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)CCl	SCHEMBL18484168	448.9	ICSXVWJQTDYLEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142329
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1COCCN1C(=O)N	SCHEMBL20353847,PC-id_135200273	448.923	QIYVFNHSTUYADX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142330
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1cnc(cn1)Cl)C(=O)O	SCHEMBL20339084,PC-id_135187034	448.923	DTJJVSARSBYPHQ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-142331
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-3142997829,PC-id_3475496,EMOLS-id_5438369,CoCoCo_4982184,ZINC22_3008439	448.923	WBWPUFQKRXJYSB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142332
Cc1cc(C)c(NC(=O)/C=N/OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(Cl)c1	ZINC22_12528879,PC-id_6893025,CoCoCo_3160261	448.923	SPIQBAPZGIGJAB-LIMNOBDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142333
Clc1ccc(N2CCN(CC(=O)Nc3sc4CCC(c4n3)C(=O)OCC)C2=O)cc1	PC-id_49708776	448.923	DHRVCZGBRWLQEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142334
Clc1cc(N2CCN(CC(=O)Nc3sc4CCC(c4n3)C(=O)OCC)C2=O)ccc1	PC-id_49708458	448.923	CXSGPAACJOUYPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142335
Clc1c(NC(=O)C=NOCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(cc(c1)C)C	MCULE-5507557421,EMOLS-id_26056198,PC-id_2111775	448.923	SPIQBAPZGIGJAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142336
Clc1c(n(nc1C)Cc1c(noc1C)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_19442201	448.923	MZJVKZJNLAEGFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142337
O=C(Nc1sc2c(c1C(=O)N)CCC2)CO/N=CC(=O)Nc1c(C)cc(cc1Cl)C	CoCoCo_3160262	448.923	SPIQBAPZGIGJAB-NYAPKIOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142338
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CCC2)nc1	PC-id_77218669	448.926	YBCSIYSAAMWLMU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-142339
Clc1ccc(NC(=O)C(=O)N[C@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)CCC2)nc1	SCHEMBL1503733,PC-id_67056412	448.926	YBCSIYSAAMWLMU-VXGBXAGGSA-N	00000010100000101001000010000000000000000000000000000000	25-01-142340
CCc1nc2c([nH]1)[N+](C=N2)(C)Cc1ccccc1N(c1cccc(c1Cl)c1nnn[nH]1)C	PC-id_88426760,SCHEMBL9196448	448.931	QQQREVRAYYEWNE-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-142341
O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1cc2c(s1)CCC2	EMOLS-id_45728668,MCULE-6394297163,PC-id_4422898,ZINC22_34877986	448.943	QZJQJUFLAFJKIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142342
O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1cc2c(s1)CCC2	PC-id_4335227,MCULE-7180076144,ZINC22_34767658,EMOLS-id_45728426	448.943	VABWDVOLNXXULO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142343
c1(NC(=O)c2c(Cl)cnc(SC)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	ChEMBL-DNDi_CHEMBL7985275,PC-id_2238443,CoCoCo_574242,MCULE-9533321770,TIMTEC277093,ZINC22_2886297,EMOLS-id_2011580	448.946	KYSCAPZPKJZTFL-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-142344
Clc1cc(n2c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nnc2)ccc1	PC-id_24370030	448.946	DZSTUMSDTJUKDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142345
Clc1c(c2n(N)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nn2)cccc1	PC-id_24496389	448.95	XISVYOHDRGETIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142346
CCOC(=O)c1c(CBr)nc2n1[C@H](Br)[C@H](S2)Br	PC-id_139226982	448.957	CMXMUAWPNJRWNO-BQBZGAKWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142347
CCOC(=O)c1c(CBr)nc2n1[C@@H](Br)[C@@H](S2)Br	PC-id_139226985	448.957	CMXMUAWPNJRWNO-RNFRBKRXSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142348
C1CCC(C(C1)C(O)O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	PC-id_135200321,SCHEMBL20353902	448.963	FDGAKSRXCWRXFY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142349
c1(NC(=O)C(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8632855392,EMOLS-id_334334633	448.963	FQDUDTGFSOKFAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142350
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333353,MCULE-5641121988	448.963	IWMZPMMDUQSSBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142351
CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3580742,MCULE-6377582428,CoCoCo_3580741,ZINC22_8940967,PC-id_17433031,EMOLS-id_48934469	448.966	PNYAQJAKAIQWBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142352
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nc1	PC-id_56144138	448.966	UVQPBXXNBDCJEE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-142353
CCOC(=O)c1c(NC(=O)C[NH+]2CCN(CC2)c2cccc(c2)Cl)sc2c1CCC2	GD-id_ZINC03567682,PC-id_2685332	448.986	SPZHHQOYGXATBQ-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-142354
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278679	449.083	OJQOFQVUAVLSIS-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-142355
CC1CCc2c1c(CBr)nn2Cc1cc(F)ccc1I	MCULE-9625189585,EMOLS-id_331033605	449.1	FCQBMIATNDWNLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142356
CC1CCc2c1c(CBr)nn2Cc1c(F)cccc1I	MCULE-2321116352,EMOLS-id_331033349	449.1	DYORJPZKQHVRDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142357
CC1CCc2c1c(I)nn2Cc1c(F)ccc(C)c1Br	EMOLS-id_330979323,MCULE-6048963572	449.1	SHYKUNLTWKCABW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142358
CC1CCc2nn(Cc3cc(F)ccc3I)c(CBr)c12	MCULE-5916413621,EMOLS-id_331012543	449.1	CPJOFRNKGRLECV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142359
CC1CCc2nn(Cc3c(F)cccc3I)c(CBr)c12	MCULE-5356072510,EMOLS-id_331012287	449.1	NNCKFHOMBDHGLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142360
CC1CCc2nn(Cc3c(F)ccc(C)c3Br)c(I)c12	EMOLS-id_330963383,MCULE-3428529251	449.1	ZYOCTSCSSNQEGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142361
Ic1ccc(c(c1)C(=O)Nc1sc2c(n1)CCC2)Br	PC-id_103993871	449.105	NBIIMYBTTZQISV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142362
CC1=NC2=C(S1)CN(C2)C(=O)CN(C)/C(=CC(=C)C3=CC(=CC=C3)Cl)/C4=CC=CC=C4	PC-id_164014102	449.133	UTUFSBSLIUOLSX-FMCGGJTJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142363
COC1=CC=CC=C1C(CO)C(=O)N2CC3=CN(N=C3C2)SC4=CN(N=C4)CC(F)F	PC-id_164872128	449.133	MJKBLWOOKQGWDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142364
CC1=C(N2CCCC2=C1C(=O)C(=O)C[C@@H](C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)[N+]#[C-]	PC-id_162009753	449.136	YTHUXSVIIOHIFN-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142365
CC(C)(C)C1(CCC1)C(=O)NC2=NNC3=C2CN(C3)C(=O)NC4=C(C=CC=C4Cl)Cl	PC-id_153587081	449.139	HMPUVKSBEMQPEZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-142366
C[C@@H](CS(=O)(=O)CCCC1=CN2C(=N1)C(=O)NC2=O)C3=CC(=C(C=C3)F)OCC4CC4	PC-id_161861465	449.142	YAJXMBDIBOCVST-ZDUSSCGKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-142367
C[C@@H](CS(=O)(=O)CCCC1=NN2C(=C1)C(=O)NC2=O)C3=CC(=C(C=C3)F)OCC4CC4	PC-id_161000824	449.142	TVVRSOGLQPRUPG-ZDUSSCGKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-142368
COC1=C(C=C(C=C1)CC(=O)NCCC2=NN=C3N2CCC3)S(=O)(=O)N4CCOCC4	PC-id_154774528,MCULE-7379728054,EMOLS-id_257830577	449.173	SIKMRRURWMRGQH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142369
C1CC(NC1CC2=CC=C(C=C2)NC(=O)C3CCC4=C3[NH+]=C(S4)N)C(C5=CC=CC=C5)O	PC-id_148781260	449.201	OKIOQHRDFOXEBF-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-142370
CCc1cc(c(cc1c1cc(c(cc1)C(=N)c1nc2c([nH]1)CN(C2)C(=O)CC(C)C)N)F)O	PC-id_163670243	449.223	JBXHTXWGMDKTRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142371
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)COc1ccc(cc1Cl)Cl	MCULE-7209589377	449.267	FNLJWKQVEKXLMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142372
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)COc1ccc(cc1Cl)Cl	MCULE-7565876290	449.267	RZUYPXINFKYPLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142373
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)COc1ccc(cc1Cl)Cl	MCULE-9557255191	449.267	RFPBMLBFWHCHLY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142374
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1ccccc1Cl	MCULE-1852777535	449.267	AUAYVUOFVHGLCB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142375
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1ccc(Cl)cc1	MCULE-2454974393	449.267	FHFAWSJPYZHNKY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142376
[O-][N+](=O)c1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)ccc1Cl	EMOLS-id_324882441	449.267	AUAYVUOFVHGLCB-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142377
[O-][N+](=O)c1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)ccc1Cl	EMOLS-id_324844797	449.267	FHFAWSJPYZHNKY-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142378
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324847353	449.267	FNLJWKQVEKXLMN-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-142379
[O-][N+](=O)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324848369	449.267	RZUYPXINFKYPLB-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-142380
[O-][N+](=O)c1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324848374	449.267	RFPBMLBFWHCHLY-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-142381
Clc1cc(C(=CC(=O)c2sc(c3CCCc23)C(=O)OC)C(F)(F)F)cc(Cl)c1	PC-id_71042875	449.271	HEPYPBHVUCSNKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142382
COC(=O)c1sc(c2c1CCC2)C(=O)/C=C(/C(F)(F)F)c1cc(Cl)cc(c1)Cl	SCHEMBL13977829	449.271	HEPYPBHVUCSNKU-RIYZIHGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142383
Brc1cc(/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(F)cc1	PC-id_24347363	449.293	FJJHQDSJHCSKJJ-QPJJXVBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142384
Brc1cc(C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(F)cc1	PC-id_74263504	449.293	FJJHQDSJHCSKJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142385
N#Cc1c(/N=C/c2ccc(O)cc2)c(C(=O)Nc2ccc(Br)cc2)n2c1CCC2	CHEMBL4557315	449.3	RUYOIFKVHOOUJH-DHRITJCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142386
Clc1ccc(NC(=O)CC2Sc3n(nc(n3)COc3ccc(Cl)cc3)C2=O)cc1	PC-id_46872018	449.31	NXTNPDMKHTWHQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142387
Brc1cc(C2=NOC(C2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_19495510	449.318	PKXXXJZKXFPUJI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-142388
Brc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_24347072	449.318	PNJIBXNQCXCKAQ-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142389
Brc1ccc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_74263217	449.318	PNJIBXNQCXCKAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142390
Brc1cc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	MCULE-7065778453,EMOLS-id_26039460,PC-id_4007103	449.318	FHBHMXAFTFPWND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142391
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(Br)c2)sc2c1CCC2	ZINC22_13141682,PC-id_5984737,CoCoCo_2949699	449.318	FHBHMXAFTFPWND-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142392
O=C(/C=Cc1cccc(c1)Br)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2949700	449.318	FHBHMXAFTFPWND-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142393
Ic1ccccc1C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109778	449.329	XYWUVZGLAPJGIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142394
Ic1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109905	449.329	RFIVROFDUAHONM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142395
Ic1cccc(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109906	449.329	GFQCNVJLOGMQFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142396
Brc1cc(C(=O)Nc2nn(NC(=O)NCCCC)c3C(NCc23)(C)C)ccc1	SCHEMBL2921835,PC-id_68441733	449.345	NCHNSCRUAFPGQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142397
Brc1ccccc1C(=O)Nc1sc2CCCc2c1C(=O)NCC1CCCO1	EMOLS-id_334333092,MCULE-2092191578	449.361	QMFMRLAFMGFYOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142398
Brc1cccc(c1)C(=O)Nc1sc2CCCc2c1C(=O)NCC1CCCO1	EMOLS-id_334334372,MCULE-6921000825	449.361	ZLVMBYMFXLIMAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142399
Brc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)NCC1CCCO1	EMOLS-id_334334380,MCULE-3986787552	449.361	JKSXAEWAYNMMJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142400
CC(C)n1nc2c(c1NC(=O)C(=O)NC1(Cc3ccc(Cl)cc3Cl)CCC1)CCC2	ZINC22_2325820486	449.373	ZSDCREUHLAHDKM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-142401
n12C(CC(=O)c3ccc(N(=O)=O)cc3)C(=Nc1nnc2N)CC(=O)c1ccc(N(=O)=O)cc1	MCULE-5821404637,SPECS-id_AT-225/NB55297,PC-id_4608236	449.376	SDHHTZOWZBWQFN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-142402
Nc1nnc2n1[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(=N2)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC22_104194910,PC-id_98535404	449.376	SDHHTZOWZBWQFN-MRXNPFEDSA-N	00000011100000110001000010000000000000000000000000000000	25-01-142403
Nc1nnc2n1[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(=N2)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC22_104194914,PC-id_98535405	449.376	SDHHTZOWZBWQFN-INIZCTEOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-142404
Brc1ccc(cc1)C1(CCC1)NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328213117,MCULE-8927482895	449.383	CAJTVTNKPYOIHZ-UHFFFAOYSA-N	00001010100000110000100010000000000000000000000000000000	25-01-142405
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCCC2)cc1	PC-id_26891736	449.385	ACOUNODSTXBBNZ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-142406
CC(=O)NCC1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_68546314,SCHEMBL3197616	449.39	LCXZVJUIAQTHOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142407
CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL13484641,PC-id_44242747	449.39	LCXZVJUIAQTHOI-YTJLLHSVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142408
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)C(=O)OC	PC-id_19171155,MCULE-9442336196	449.391	RTLVOACAFUPVCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142409
Cc1nn2c(n1)C(=NNc1c(cnn1c1nc(ns1)C(F)(F)F)C#N)C(=N2)C(C)(C)C	PC-id_89279486	449.416	VWUOEGCRWQRDPX-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-142410
COc1ccc(cc1O)C(=O)/C=c/1c(CC(=O)c2ccc(c(c2)OC)O)nc2n1c(N)nn2	PC-id_44723963,GD-id_ZINC19879621	449.416	WBCAORHOFAMOAD-GXDHUFHOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142411
COc1cc(ccc1O)C(=O)Cc1nc2n(/c/1=CC(=O)c1ccc(c(c1)OC)O)c(nn2)N	SPECS-id_AT-225/NB57156	449.416	PSOJBTUBEVYWNA-UVTDQMKNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142412
O=C(Cc1nc2n(c1=CC(=O)c1cc(OC)c(O)cc1)c(nn2)N)c1cc(OC)c(O)cc1	PC-id_51059728	449.416	PSOJBTUBEVYWNA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142413
O=C(Cc1nc2n(c1=CC(=O)c1cc(O)c(OC)cc1)c(nn2)N)c1cc(OC)c(O)cc1	PC-id_75062191	449.416	WBCAORHOFAMOAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142414
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(cc1)C(=O)OC	PC-id_16947895	451.495	XAVRFWPONGUYTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143071
s1nc(nc1N1N=CC(=C=N)C1=NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)C(F)(F)F	PC-id_72362430	449.416	ACFXFPZZBAQIHG-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-142415
s1nc(nc1n1ncc([N+]#[C-])c1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)C(F)(F)F	PC-id_59702904	449.416	HJMICKZLSUMONC-UHFFFAOYSA-N	00000011100000000001100010000000000000000000000000000000	25-01-142416
s1nc(nc1n1ncc([N+]#[C-])c1N/N=C
/C(=Nn2nc(nc12)C)C(C)(C)C)C(F)(F)F	PC-id_59702950	449.416	HJMICKZLSUMONC-OPVMPGTRSA-N	00000011100000000001100010000000000000000000000000000000	25-01-142417
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F)c1ccccc1	SCHEMBL2162081,PC-id_24772156	449.418	CWMUAGWWHFCLBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142418
Cc1ccc(cc1)Oc1nnnn1c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117999621,SCHEMBL16624941	449.419	GABZHZZMNFGQMZ-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142419
Cc1ccc(cc1)Oc1nnnn1c1ccc(cc1)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL19718892	449.419	GABZHZZMNFGQMZ-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142420
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1cc(c(F)cc1)C(F)(F)F	PC-id_16947125	449.421	QPWJRENXAXVPQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142421
Brc1c2S(=O)(=O)C(=C(CCCCCCCCC)c2sc1)C(=O)OCC	PC-id_44254896	449.423	VVPHHUOMFRINIA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-142422
BrC1=CS(=O)(=O)c2c(CCCCCCCCC)c(sc12)C(=O)OCC	PC-id_44254897	449.423	GMKRBQIAKWYXCI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-142423
N#Cc1c(NC(=O)COC(=O)CNC(=O)c2cccc(OC(F)F)c2)sc2c1CCC2	PC-id_2401675,CoCoCo_2973504,MCULE-3158970242,ZINC22_3286184,EMOLS-id_3116045	449.428	BYSGOBXYCGYTKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142424
s1c2c(CCC2)c(c1NC(=O)Cn1c(=O)c(cc([N+](=O)[O-])c1)C(=O)OC)C(=O)OCC	PC-id_55561186	449.434	ZHODEETUZBSYAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142425
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1)C(=O)N	PC-id_4440146	449.434	DRRFYPFERIOZPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142426
S(C(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C)CC(O[N+](=O)[O-])CO[N+](=O)[O-]	PC-id_60015516	449.434	UOTWDGHFXBXLLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142427
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COCc1ccc(cc1)c1ccc(cc1)C(F)(F)F	PC-id_137640746	449.446	SBNGTYIVCJSHDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142428
C1Cn2c(ccc2C(=O)c2ccccc2)C1C(=O)Oc1ccc(cc1)C(=O)OC(CO)CO	PC-id_90019829,SCHEMBL15541359	449.453	ZJGSKBBXPWXDHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142429
OCC(COC(=O)c1ccc(cc1)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)O	PC-id_72706013,SCHEMBL15542353	449.453	GBJYFJLONWBKHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142430
CCOC(=O)n1nc(c2c1C(C)(C)NC2NC(=O)c1ccccn1)NC(=O)c1ccccn1	PC-id_141531873	449.463	BTLNOUKCACACLF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-142431
CN1CCC(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(F)(F)F	PC-id_46228595,BindingDB_PC-id_46228595	449.469	NUXMDKWZVUQHTP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142432
FC(F)(F)c1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(CC2)C)(C)C)cc1	PC-id_11744428	449.469	JDYNOXYKVRMOOR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142433
Cc1c(C(=O)C(=O)NC2(C)CS(=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	SCHEMBL19901023,BindingDB-id_799440,PC-id_134285298	449.471	HIXLPXCVOTTYCF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-142434
Cc1c(C(=O)C(=O)N[C@]2(C)C[S@](=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	SCHEMBL19920586,BindingDB-id_799444	449.471	HIXLPXCVOTTYCF-NEWFWRPPSA-N	00001010100000110000000010000000000000000000000000000000	25-01-142435
Cc1c(C(=O)C(=O)N[C@@]2(C)C[S@](=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	SCHEMBL19920587,BindingDB-id_799443	449.471	HIXLPXCVOTTYCF-JUKHWHIISA-N	00001010100000110000000010000000000000000000000000000000	25-01-142436
CCOC(=O)c1c(NC(=O)CCSc2nnc(n2N)C(F)(F)F)sc2c1CCC2	GD-id_ZINC20841504	449.471	BWNVUPJZLMZHAE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142437
O=C(c1ccccc1S(=O)(=O)C(F)F)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109508	449.471	VGHZGHAPGQGGSU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-142438
O=S1CC(C1)(C)N(C(=O)C(=O)c1c2CCCn2c(c1C)C(=O)N)c1ccc(c(c1)F)F	PC-id_141757319	449.471	GMWZVFPHFXLKIN-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-142439
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cc(OC)c(c(OC)c1)OC)C(=O)OC	PC-id_2789258,STOCK2S-64737,BAS-01292107,SPECS-id_AT-225/NB60170,MCULE-9219054352,EMOLS-id_604045	449.474	RXBQFCNATYIGEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142440
COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_187522,PC-id_978691,ZINC22_622579	449.474	RXBQFCNATYIGEF-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142441
COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_622581,PC-id_978693,CoCoCo_187521	449.474	RXBQFCNATYIGEF-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-142442
COC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCC2	MCULE-6415459265,ZINC22_3277745,EMOLS-id_45702638,PC-id_2393214	449.474	IHENSVFIWUALMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142443
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(OC)c(OC)c1)C(=O)OC	PC-id_16528345	449.474	YUWJXPCJWRBTBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142444
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)c(OC)c(OC)cc1)C(=O)OC	PC-id_16523907	449.474	YTASNLLNYCODKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142445
Cc1ccc(c(c1)F)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)c1[nH]ncc1	SCHEMBL20252999,PC-id_134599095	449.477	QKEAHLOYZMXQNH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142446
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)N(c1ccc(cc1)F)C=O	PC-id_141257328	449.477	ZCQCWGGRWVKCLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142447
Fc1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)NCCCC)C(=O)c2ccccc2)cc1	PC-id_54767647	449.477	MHGLOVKRHTZKQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142448
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CO)COC1)C	SCHEMBL18730044	449.478	MUKJLKVOEBUJOX-LJQANCHMSA-N	00001010100000000001000010000000000000000000000000000000	25-01-142449
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CO)COC1)C	SCHEMBL18730046	449.478	MUKJLKVOEBUJOX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-142450
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCC1(O)COC1)C	PC-id_118368877,SCHEMBL17080608	449.478	CPWOYXNGNZUIBG-LJQANCHMSA-N	00001010100000000001000010000000000000000000000000000000	25-01-142451
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCC1(O)COC1)C	SCHEMBL17080612,PC-id_118368880	449.478	CPWOYXNGNZUIBG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-142452
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(OC(=O)C)cc4)/c(=O)n3n2)cc1OC	ZINC22_16742412,EMOLS-id_45966549	449.479	DEEJPVWLQXNORI-KZBAPLJJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142453
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(OC(=O)C)c(OC)c4)/c(=O)n3n2)cc1	ZINC22_27022175,EMOLS-id_45970338	449.479	QLCYDYQZPZZDSA-KZBAPLJJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142454
COC(=O)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_45965701,ZINC22_16742142	449.479	YIXGKRINCZLYEZ-UZYLVVNOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142455
n12nc(nc1sc(=Cc1ccc(cc1)C(=O)OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-2370838878	449.479	YIXGKRINCZLYEZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142456
n12nc(nc1sc(=Cc1cccc(c1)OC(=O)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-1463109762	449.479	LQPLFQIDZVYNTG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142457
n12nc(nc1sc(=Cc1ccc(cc1)OC(=O)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4401964794	449.479	DEEJPVWLQXNORI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142458
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-1518920016	449.479	QLCYDYQZPZZDSA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142459
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1nc(on1)c1ccc(cc1)C	PC-id_30657390	449.479	TXRBFDUWZPRORD-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-142460
c1(NC(=O)COc2nonc2C(=O)N(CCOC)CCOC)sc2CCCc2c1C#N	EMOLS-id_333664203,MCULE-5746496009	449.481	FWCMCFMPTYUCFP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142461
c1(NC(=O)c2cc(on2)c2ccccc2)c2CSCc2nn1CC(=O)NCc1ccco1	MCULE-5370383316,ZINC22_23139424,PC-id_30862676,CoCoCo_5277737,EMOLS-id_24913489	449.482	WZDHWPLTPTVPOU-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-142462
c1(NC(=O)COc2cccnc2NC(=O)Oc2cccc(N)c2)sc2c(CCC2)c1C#N	MCULE-1477243147,EMOLS-id_321773565	449.482	MGVKQKDVEBCGQL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142463
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)sc2c(CCC2)c1C#N	EMOLS-id_321773309,MCULE-8382103605	449.482	QISFNIHBHKDSEJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142464
O=C(Nc1n[nH]c2c1CN(C2)C(=O)Cc1cccs1)Cc1ccc(cc1)n1ccoc1=O	PC-id_139982974	449.482	SLFQUFIBLNFHAL-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-142465
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(F)cc(F)cc1)C(=O)OC	PC-id_19469674	449.491	BODNNHFRFHVZFO-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-142466
CCCC(=O)OC1=Cn2c(C1OC(=O)CCC)c(c(c2)OC(=O)CCC)OC(=O)CCC	SCHEMBL2267156,PC-id_67341005	449.494	JQUAMTOLDWTNKZ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-142467
CCCC(=O)OC1=C(OC(=O)CCC)c2n(C1)cc(c2OC(=O)CCC)OC(=O)CCC	SCHEMBL2267160,PC-id_67341007	449.494	XNSAFEDDQWOSNS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-142468
c1(NC(=O)COc2cccc(c2)NC(=O)Cc2ccccc2F)sc2c(CCC2)c1C#N	EMOLS-id_323215536,MCULE-5951861094	449.497	MSXVUXYFWMWSRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142469
c1(NC(=O)COc2cccc(c2)NC(=O)Cc2ccc(F)cc2)sc2c(CCC2)c1C#N	EMOLS-id_323169607,MCULE-5360445018	449.497	MCFXFGJFAYITJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142470
c1(NC(=S)NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-1414640070,ChEMBL-DNDi_CHEMBL6943474,CHEBI:94076,SPECS-id_AN-465/40934524,EMOLS-id_1655310,ZINC22_2145008,CoCoCo_855078,PC-id_1797892	449.501	QAUPPVKWEBNZGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142471
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc([N+](=O)[O-])c(SC)cc1)C)C(=O)N	PC-id_24498276	449.501	RAWUVYYYONVFDZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142472
N#Cc1cccnc1NCc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c1	ZINC22_1875262640	449.507	DQBTUBXFXMAWBB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142473
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1cc(ccc1)C(F)(F)F)C#N	PC-id_30100453	449.512	UMLXZZJZRVEYOC-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-142474
s1c2CCCc2c(c1NC(=O)CCN(Cc1cc(OCC)c(OC(F)F)cc1)C)C#N	PC-id_33720024	449.514	ACQSZKDMTLOTBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142475
c1(C(=O)NCC2CCN(CC2)Cc2ccc(cc2)F)cc2n(C[C@@H](Oc3cccnc3)C2)n1	EMOLS-id_316325687,MCULE-3711576027	449.521	CNKRFXVUWDAQOK-QHCPKHFHSA-N	00000010100010111001000010000000000000000000000000000000	25-01-142476
c1(C(=O)NCC2CCN(CC2)Cc2ccccc2F)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316325694,MCULE-9327590702	449.521	NYXVUYYZDGASNG-QFIPXVFZSA-N	00000010100010111001000010000000000000000000000000000000	25-01-142477
c1(C(=O)NCC2CCN(CC2)Cc2ccc(cc2)F)cc2n(CC(Oc3cccnc3)C2)n1	MCULE-6839157794	449.521	CNKRFXVUWDAQOK-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-142478
c1(C(=O)NCC2CCN(CC2)Cc2ccccc2F)cc2n(CC(Oc3ccncc3)C2)n1	MCULE-1040705322	449.521	NYXVUYYZDGASNG-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-142479
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330027,MCULE-5794777805	449.522	LCIMDZWNTHEJNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142480
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1571165057,EMOLS-id_334335904	449.522	YCGKTNQEDIWNHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142481
c1(NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334327981,MCULE-5813088828	449.522	IKJSPVNDOXOFHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142482
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccc(OC)cc2)sc2CCCc2c1C#N	MCULE-6400025434,EMOLS-id_331630021	449.522	QDDIGQFNCIUDPU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142483
c1(NC(=O)NN=Cc2cccc(c2)Oc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_19172691,MCULE-3213869370	449.522	TVWSPZKAPBTBGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142484
CCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	ZINC22_16742143,EMOLS-id_45965703	449.522	LGAALKICZLIESE-VEYSXCRSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142485
n12nc(nc1sc(=Cc1ccccc1OCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4515113430	449.522	LGAALKICZLIESE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142486
n12nc(nc1sc(=Cc1ccc(cc1)OCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-7079813216	449.522	VDZKGYDPRLJDAQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142487
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-4717184730	449.522	XDHVNNDVOARLDM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142488
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_16947578	449.522	YKPSRCJQCQNYKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142489
O1C(CN2CCC(N3C[C@@H](N(CC3)C(=O)[O-])C(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635282,SCHEMBL6010746	449.524	UCUMVMNFFGEKLG-UJONTBEJSA-M	00000010100010000001100010000000000000000000000000000000	25-01-142490
O1C(CN2CCC(N3CC(N(CC3)C(=O)[O-])C(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL6010737,PC-id_69635273	449.524	UCUMVMNFFGEKLG-UHFFFAOYSA-M	00000010100010000001100010000000000000000000000000000000	25-01-142491
O1C(CN2CCN(C3C[C@H](N(CC3)C(=O)[O-])C(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635225,SCHEMBL6010691	449.524	YYEZHWQBKXBMBO-TZQQIIETSA-M	00000010100010000001100010000000000000000000000000000000	25-01-142492
O1C(CN2CCN(C3CC(N(CC3)C(=O)[O-])C(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635215,SCHEMBL6010684	449.524	YYEZHWQBKXBMBO-UHFFFAOYSA-M	00000010100010000001100010000000000000000000000000000000	25-01-142493
O=C(Nc1n[nH]c2c1CN(C2)C(=O)Cc1cccs1)Cc1ccc(cc1)C1CCNC1=O	PC-id_141251783	449.525	URQNIPYKPBSEAP-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-142494
CCC1CC(OCc2ccc(cc2)F)CC(N1CC(Cn1nc2n(c1=O)CCN2C)F)C	SCHEMBL13760643,PC-id_70989629	449.537	VRGUBOYBSXCZHP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142495
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(SC)cc1)C(=O)OCC	PC-id_16525046	449.54	WKNOHJSUALFVLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142496
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1c(sc(c1)C)C)C(=O)OC	PC-id_45660702	449.54	BGFAAKLFMLWYTB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142497
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1sc(cc1)C)C(=O)OCC	PC-id_29485059	449.54	IZEPRZXMWQILCZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142498
COCCOCCC1C(c2c(S1(=O)=O)sc(c2)S(=O)(=O)N)OS(=O)(=O)C	SCHEMBL9654908,PC-id_88494560	449.541	FHBAJTLDRXZHEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-142499
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)c1c(F)cccc1	PC-id_2458147	449.542	RZBCGINAQBPZIA-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-142500
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2c(CCC2)c1C(=O)NC	CoCoCo_5058632,MCULE-7274729272,ZINC22_6529628,EMOLS-id_5743371,PC-id_5310241	449.544	NGSFGYGMGRLFQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142501
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CC)CCO)sc2CCCc2c1C#N	EMOLS-id_333771604,MCULE-6054733623	449.544	GDRDQVDSNPUMLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142502
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCO)sc2CCCc2c1C#N	MCULE-2284810116,EMOLS-id_331789756	449.544	KDLLJJHJRAUZEU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142503
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1(CC1)NC)(C(=O)NO)S(=O)(=O)C	PC-id_137440969,SCHEMBL20678280	449.544	MRWATTMJTDRPQG-LJQANCHMSA-N	00100010100000000000000010000000000000000000000000000000	25-01-142504
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1(CC1)NC)(C(=O)NO)S(=O)(=O)C	PC-id_137440970,SCHEMBL20678281	449.544	MRWATTMJTDRPQG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-142505
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C)(C(=O)NO)S(=O)(=O)C	PC-id_137440915,SCHEMBL20678220	449.544	MLMFIDDYRQIDIO-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-142506
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C)C	SCHEMBL18587710	449.544	MLMFIDDYRQIDIO-HXUWFJFHSA-N	00001010100000000000000010000000000000000000000000000000	25-01-142507
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(c(sc1NC(=O)C)C)C)C)C(=O)N	PC-id_24496142	449.544	MWEBEDRFUBMODL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142508
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CC(NC(=O)C)c1sccc1)C)C(=O)N	PC-id_43040908	449.544	APNHIWMMDSJZEZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142509
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1sccc1)C(C)C)C(=O)N	PC-id_46818389	449.544	PWKYWOSIBZJCOU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142510
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1nc(cc(n1)C)C)C(=O)OCC	PC-id_45603960	449.544	SGSPEFNUAFZVEA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-142511
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(OC)cc1	PC-id_16923961	449.544	ITHDZQVRYKDKMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142512
S(=O)(=O)(NCC1OCCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_46652760	449.544	BVEABRGZJIGHIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142513
c1(c2CCCc2[nH]n1)C(=O)N1CCOC(C1)c1cc([nH]n1)CCOc1ccc(cc1)C(C)C	BDF-25426021,EMOLS-id_264235,MCULE-5457049807	449.545	HWOHEDVMPJUSAR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142514
CC(C)c1ccc(OCCc2cc([C@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)n[nH]2)cc1	ZINC22_257241090	449.545	HWOHEDVMPJUSAR-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142515
CC(C)c1ccc(OCCc2cc([C@@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)n[nH]2)cc1	ZINC22_257241091	449.545	HWOHEDVMPJUSAR-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142516
CN(Cc1ccc(OC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1)Cc1ccon1	CoCoCo_1274770,CoCoCo_1274768,CoCoCo_1274764,ZINC22_11785196,CoCoCo_1274766,PC-id_42165364	449.545	SHEJMOUIOMUWKK-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142517
CN(Cc1ccc(OC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1)Cc1ccon1	ZINC22_11785197,CoCoCo_1274765,CoCoCo_1274769,CoCoCo_1274771,CoCoCo_1274767,PC-id_42165366	449.545	SHEJMOUIOMUWKK-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-142518
CN(Cc1ccon1)Cc1ccc(OCC2CCCN(C2)C(=O)c2n[nH]c3CCCc23)cc1	MCULE-4055202476,EMOLS-id_20502275,PC-id_45194062	449.545	SHEJMOUIOMUWKK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142519
NC(=O)c1c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)sc2c1CCC2	PC-id_2080177,ZINC22_2618291,EMOLS-id_3245386,CoCoCo_2987168,MCULE-4953183704	449.545	INWLVMXEWJONOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142520
NC(=O)c1c(NC(=O)CSc2nnc(Nc3ccc(F)cc3)s2)sc2c1CCC2	MCULE-4808238714,EMOLS-id_11778696,PC-id_16337798,CoCoCo_4298843,ZINC22_9666281	449.545	BLPZQZVZUCPVKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142521
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)N)CCn1c(C)cc2c1CC(C2)(C)C	PC-id_139418452,SCHEMBL21277282	449.545	FSVIEPSUGVVMSF-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-142522
s1c2c(CCC2)c(c1NC(=O)CSc1sc(Nc2cc(F)ccc2)nn1)C(=O)N	PC-id_30075777	449.545	QWNSWLKZPRUVCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142523
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1sc(SCC)nn1	PC-id_16947301	449.545	QHDKRWJCOGKDQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142524
Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1	EMOLS-id_11776051,MCULE-9351468393,CoCoCo_4243328,ZINC22_35392965,PC-id_16335980	449.547	MKQFFUNSDBATSX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142525
Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NCCc1nnc2n1CCC2	ZINC22_508337818	449.549	CZJWLFBKTNERRT-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142526
Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)NCCc1nnc2n1CCC2	ZINC22_508337819	449.549	CZJWLFBKTNERRT-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142527
C[C@H]1CN(CC2CC2)C(=C)CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_122626126,SCHEMBL18155667	449.549	DHQWNPYXLHGBBQ-INIZCTEOSA-N	00100010100010101001000010000000000000000000000000000000	25-01-142528
c1(NC(=O)COc2ccc(cc2)C(C)(C)c2ccccc2)sc2c(CCC2)c1C(=O)OC	ZINC22_1768789,CoCoCo_1750762,MCULE-2556044085,EMOLS-id_1859125,PC-id_1561591	449.562	MJCIONQOPAYDLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142529
s1c2c(CCC2)c(c1NC(=O)C(Oc1ccc(cc1)c1ccccc1)CC)C(=O)OCC	PC-id_17073332	449.562	VBOXFXUTKCJMRX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142530
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)n(C(C)(C)C)nc2CS(=O)Cc12	PC-id_2057726,MCULE-7044235908,ChEMBL-DNDi_CHEMBL1565393,CHEMBL1565393,EMOLS-id_5443129	449.564	LGROEEKDMGPWFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142531
CC(C)(C)NC(=O)NC(=O)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	CoCoCo_2889304,ZINC22_10932328,EMOLS-id_24963095,PC-id_41732923,MCULE-6552360838	449.564	UJIMJHLFSWJKAA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142532
CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc(OCC)c1OCC	CoCoCo_4985715,ZINC22_2494139,PC-id_11863482	449.564	LGROEEKDMGPWFX-HKBQPEDESA-N	00000010100000110001000010000000000000000000000000000000	25-01-142533
CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc(OCC)c1OCC	CoCoCo_4985716,PC-id_40422221,ZINC22_38141173	449.564	LGROEEKDMGPWFX-WJOKGBTCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142534
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NCC(C)C	PC-id_41733088	449.564	HWLPTLZFUCMXQF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142535
c12CCCc1sc(=NC(=O)c1ccc(OC)cc1)n2CC(=O)N(c1ccccc1)C(C)C	MCULE-7871092283	449.565	ZRGTWDKYHHVUML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142536
c1(c2CCCc2sc1N=Cc1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1OC)OC	MCULE-9170761392,PC-id_3823744	449.565	CRXDTZOKMNTLSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142537
c1(c2CCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1ccccc1OCC	MCULE-6761225382,EMOLS-id_233080390,ZINC22_16192984,CoCoCo_866901,PC-id_1328523	449.565	JWUVUUNZYOYSHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142538
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-5410589585,PC-id_18883999	449.565	DCBLXJXQORRVHU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142539
c1(NC(=O)c2ccc(cc2)OCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-8987029172,PC-id_18883991	449.565	GWDKDNRDLAATKU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142540
c1(NC(=O)c2ccccc2OCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884031,MCULE-4913508256	449.565	HINGEPYUWNTSAJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142541
c1(NC(=O)c2cccc(OCCCC)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-9489174250,PC-id_18884018	449.565	PDQFOLOPXFXMML-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142542
c1(NC(=O)C(C)Oc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884026,MCULE-9895096938	449.565	MUXGEJMOADXCJU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142543
c1(NC(=O)C(C)Oc2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884007,MCULE-7510934914	449.565	SLZQNYOKJQQFDC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142544
c1(NC(=O)C(C)Oc2cccc(C)c2C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884008,MCULE-8637006291	449.565	CRRXFEPNXHGNJJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142545
c1(NC(=O)C(C)Oc2cc(C)cc(C)c2)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-8152364282,PC-id_18884006	449.565	QOLYZZVEOHWYDK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142546
c1(NC(=O)COc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-8562648415,PC-id_18884024	449.565	WAVYAFRPPVOPAL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142547
c1(NC(=O)COc2c(C)cc(cc2C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-2542228913,PC-id_18883989	449.565	NBSZUIYVDQJIAB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142548
CCCOc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1OCC	EMOLS-id_324909057	449.565	KSLHRVJAPLIQGD-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142549
COc1cc(ccc1OC)/C=c/1c(=O)sc2n1nc(n2)C(c1ccc(cc1)CC(C)C)C	PC-id_102484215	449.565	YIJKOEWSWRMTBN-DEDYPNTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142550
COc1ccc(c(c1)OC)NC(=O)c1c(/N=Cc2ccc(cc2)N(C)C)sc2c1CCC2	CoCoCo_6728455	449.565	CRXDTZOKMNTLSJ-YSMPRRRNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142551
COc1ccc(CCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1OC	EMOLS-id_324893192	449.565	DDNVEEVYAJOSDV-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142552
COc1ccc(C(=O)/N=c/2sc3c(n2CC(=O)N(c2ccccc2)C(C)C)CCC3)cc1	ZINC22_4531450,PC-id_4126166,SPECS-id_AT-225/NB58504	449.565	ZRGTWDKYHHVUML-QPLCGJKRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142553
COc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2ccc(cc2)N(C)C)c(OC)c1	EMOLS-id_46413487,ZINC22_4108598,PC-id_9637685,TIMTEC107774,CoCoCo_6728454	449.565	CRXDTZOKMNTLSJ-CVKSISIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142554
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(cc4)C(C)(C)C)/c(=O)n3n2)cc1	EMOLS-id_324889615	449.565	NPRWXTHNBNUHPN-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142555
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-8618112549	449.565	DDNVEEVYAJOSDV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142556
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCCOc1ccc(OC)cc1	MCULE-8136628439	449.565	NPRWXTHNBNUHPN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142557
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)CCc1ccc(cc1)C	MCULE-1041044637	449.565	KSLHRVJAPLIQGD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142558
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(CCCC)cc1	PC-id_16947877	449.565	JZAIVEHKGGCYME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142559
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NC(CCc1ccccc1)C	PC-id_16947865	449.565	JLBZPTNDCPWZRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142560
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1	GD-id_ZINC09593123,PC-id_41138066	449.567	FEZMVGZASJYVIP-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-142561
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)CN1CCOCC1)C)C(=O)N	PC-id_55499188	449.567	VJTNEUMNNDLZPG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142562
c1(NC(=O)Cn2c(=O)ccc(N3CCC(CC3)Cc3ccccc3)n2)sc2c(CCC2)n1	EMOLS-id_323449725,MCULE-7381507510	449.568	DGPHHEHPESYGDL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142563
s1c2CCC(c2nc1N)C(=O)Nc1ccc(CC2NC(CC2)C(O)c2cccnc2)cc1	PC-id_74958642	449.568	HMWUTLVINMJYPK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142564
s1c2CCC(c2nc1N)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2cccnc2)cc1	PC-id_44231125	449.568	HMWUTLVINMJYPK-HKKWQXQQSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142565
s1c2CC[C@H](c2nc1N)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2cccnc2)cc1	PC-id_76336502	449.568	HMWUTLVINMJYPK-JZJXAQOMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142566
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1O)Cc1cccs1	PC-id_138706242,SCHEMBL21082512	449.57	JYACJZCZGWBYBT-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-142567
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(s1)NCc1ccco1	PC-id_17392521,EMOLS-id_13426332,MCULE-3863510736	449.57	XIRFGQZGGOGPKA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-142568
C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41325053,ZINC22_10032514,CoCoCo_4183437	449.57	XIRFGQZGGOGPKA-VIFPVBQESA-N	00000010101000000001000010000000000000000000000000000000	25-01-142569
C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41325056,ZINC22_10032522,CoCoCo_4183438	449.57	XIRFGQZGGOGPKA-SECBINFHSA-N	00000010101000000001000010000000000000000000000000000000	25-01-142570
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1sccc1)C(=O)OCC	PC-id_45641832	449.57	KQQTWYUBJIPODT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-142571
s1c2c(CCC2)c(c1NC(=O)C[NH+](C(c1ccccc1)c1ccccc1)C)C(=O)OCC	PC-id_2437769	449.585	JHTDEBVYJRBWRV-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-142572
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)CCCC)sc2c(CCC2)c1C(=O)NC	PC-id_27621232,MCULE-7517517874,CoCoCo_5058653,ZINC22_17270145,EMOLS-id_22708558	449.587	UTYAEABYCMJKED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142573
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	EMOLS-id_48963520,ZINC22_1514844,MCULE-8735175242,PC-id_1548494,CoCoCo_3717054	449.587	UBVUJTNZISNWHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142574
COc1ccc(cc1S(=O)(=O)N1CC(C)CC(C1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_24246065,MCULE-1693573753,EMOLS-id_17206991	449.587	QFIYTJRIBUTKFK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142575
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	PC-id_26723171,CoCoCo_4164151,ZINC22_15636603	449.587	QFIYTJRIBUTKFK-ZIAGYGMSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142576
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	PC-id_26723173,CoCoCo_4164150,ZINC22_15636605	449.587	QFIYTJRIBUTKFK-OKILXGFUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142577
COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC22_15636604,PC-id_26723172,CoCoCo_4164149	449.587	QFIYTJRIBUTKFK-KBPBESRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142578
S(=O)(=O)(NC(C(=O)NNC(=O)c1sc2CCCc2c1)C)c1c(c(cc(c1C)C)C)C	PC-id_74293264	449.587	PCRDQYNHDJMUFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142579
S(=O)(=O)(N[C@H](C(=O)NNC(=O)c1sc2CCCc2c1)C)c1c(c(cc(c1C)C)C)C	PC-id_24540851	449.587	PCRDQYNHDJMUFR-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142580
c1(C(=O)N2CCC(CC2)CCC(=O)NC2CCN(Cc3ccccc3)C2)c2CCCc2[nH]n1	PC-id_45242933,MCULE-5748160995,EMOLS-id_20709685	449.588	WORYKARJQBKPCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142581
O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@H]1CCN(Cc2ccccc2)C1	CoCoCo_1585152,CoCoCo_1585150,ZINC22_11820347,CoCoCo_1585154,PC-id_42197582,CoCoCo_1585148	449.588	WORYKARJQBKPCQ-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142582
O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@@H]1CCN(Cc2ccccc2)C1	CoCoCo_1585153,CoCoCo_1585151,PC-id_42197580,ZINC22_11820346,CoCoCo_1585155,CoCoCo_1585149	449.588	WORYKARJQBKPCQ-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142583
Cc1cc(=NCCc2nc3c(s2)CCC3)[nH]cc1S(=O)(=O)N1CC[C@@H](CC(=O)N)C1	ZINC22_1875350358	449.59	JNCIOVDVYBIDOV-AWEZNQCLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-142584
Cc1cc(=NCCc2nc3c(s2)CCC3)[nH]cc1S(=O)(=O)N1CC[C@H](CC(=O)N)C1	ZINC22_1875350359	449.59	JNCIOVDVYBIDOV-CQSZACIVSA-N	00000010100000101001000010000000000000000000000000000000	25-01-142585
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)C1CCCCC1)C(=O)OCC	PC-id_45608608	449.59	DLVNHZPGWZEKFA-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142586
s1c2c(c(C[NH+]3CCC(CC3)Cc3ccccc3)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_2241429	449.603	YKLSJRWZAWAEFV-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-142587
s1c2c(CCC2)c(c1NC(=O)CN1C(CCC1)CN1CC(OC(C1)C)C)C(=O)OCC	PC-id_56145032	449.607	NHNTYGSTFMFUKR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142588
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)NCCCCC)C(=O)OCC	PC-id_55852287	449.607	GKZHIICFIQKSBX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142589
s1c2c(CCC2)c(c1NC(=O)CN1C(CCC(C1)C(=O)NCCCC)C)C(=O)OCC	PC-id_56069014	449.607	BCPAYUGALRAJNY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142590
CC[C@H](c1ccccc1)NC(c1cc(c2n1CCS2)C(=O)N[C@@H](c1ccccc1)CC)O	PC-id_134233405,SCHEMBL19841809	449.608	XSZZGAAHIPGHBX-QQMHWKEJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142591
c1(NC(=S)NNC(=O)CSCc2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	CoCoCo_6809285,MCULE-6960738079,PC-id_17373959,EMOLS-id_4136172,TIMTEC238638	449.61	JIERNEUEPUYCJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142592
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCCN(CC(=O)NC(C)(C)C)CC1	CoCoCo_4240305,CoCoCo_4240303,ZINC22_22798960,CoCoCo_4240304,CoCoCo_4240302,PC-id_30634551	449.61	FWCNBJGQFLVLRI-AWEZNQCLSA-N	00000010100000000101000010000000000000000000000000000000	25-01-142593
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCCN(CC(=O)NC(C)(C)C)CC1	CoCoCo_4240308,PC-id_30634557,CoCoCo_4240306,ZINC22_22798968,CoCoCo_4240307,CoCoCo_4240309	449.61	FWCNBJGQFLVLRI-CQSZACIVSA-N	00000010100000000101000010000000000000000000000000000000	25-01-142594
O=C(NC(C)(C)C)CN1CCCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-5077237300,EMOLS-id_11797911,PC-id_16353034	449.61	FWCNBJGQFLVLRI-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-142595
CCCCc1cc2n(c1C(=O)c1ccc(cc1)C=C)CCC2C(=O)OCCCCCCCC	PC-id_20253957,SCHEMBL10817385	449.625	XAMJIWJTQYGNDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142596
CCCCCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)C=C	SCHEMBL10816587,PC-id_20253968	449.625	AWWGJBDKGFEDJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142597
s1c(NC(=O)CC[NH+]2C(C3N(CCC3)Cc3ccccc3)CCC2)c(c2c1CCC2)C#N	PC-id_75944513	449.631	WTBWHCLTYGSNSB-UHFFFAOYSA-O	00000010100000110000100010000000000000000000000000000000	25-01-142598
s1c(NC(=O)CC[NH+]2[C@H]([C@@H]3N(CCC3)Cc3ccccc3)CCC2)c(c2c1CCC2)C#N	PC-id_52856850	449.631	WTBWHCLTYGSNSB-XZOQPEGZSA-O	00000010100000110000100010000000000000000000000000000000	25-01-142599
s1c(NC(=O)CC[NH+]2[C@H]([C@H]3N(CCC3)Cc3ccccc3)CCC2)c(c2c1CCC2)C#N	PC-id_52856852	449.631	WTBWHCLTYGSNSB-GOTSBHOMSA-O	00000010100000110000100010000000000000000000000000000000	25-01-142600
Clc1c([N+](=O)[O-])cc(/C=C/C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_41356661	449.865	VAGMFJLBAVOLBP-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142601
Clc1c([N+](=O)[O-])cc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_74757906	449.865	VAGMFJLBAVOLBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142602
COc1ccc(C(=O)c2c(NS(=O)(=O)c3ccc(Cl)cc3F)nc3n2CCC3)cc1	ZINC22_95944151,EMOLS-id_48839060,PC-id_75478498,MCULE-7532757723	449.883	ZNGDLMUGBPRFTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142603
Fc1ccc(/C=C/c2nc3s/c(=Cc4ccc(o4)c4cccc(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_45975684,ZINC22_27460152,GD-id_ZINC27460152	449.885	JFCRQEPLDYRUKC-KRWXNTFSSA-N	00000000101000110001100010000000000000000000000000000000	25-01-142604
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-1957531296	449.885	LFZIPMZXFLLBRX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-142605
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-7290619072	449.885	LNHKWDXLCDLXGQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-142606
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-6109152384	449.885	JFCRQEPLDYRUKC-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-142607
Clc1cc(S(=O)(=O)Nc2ccc(C(=O)NCc3n4CCCc4nn3)cc2)ccc1F	PC-id_52550863	449.886	KDFPQUPHALXJGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142608
Clc1c(NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)NCc2n3CCCc3nn2)cc1	PC-id_37334425	449.886	BDVWKWAWEFQTIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142609
Clc1ccc(C(=O)CCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_35686614	449.905	OFGFUGCNWOPJJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142610
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7100192806,EMOLS-id_334334125	449.908	JDBVAGMXEJEEAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142611
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1884999376,EMOLS-id_334337187	449.908	SRSSQTOBQDIZHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142612
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8196625089,PC-id_2938196,TIMTEC137108,EMOLS-id_1124695	449.908	DYRKMBYAGFNBTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142613
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7684269999,EMOLS-id_334335660	449.908	WQCQWMZGDGDDNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142614
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5478820722,EMOLS-id_334340001	449.908	AZCZIUKOCIEEBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142615
Clc1c(C(=O)NC(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_55307048	449.908	WFTOXURQUZDSLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142616
Clc1c(NC(=O)COC(=O)CCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_2120505,CoCoCo_3090969	449.908	CAHLSPROKVUGGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142617
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1	PC-id_1304919,CoCoCo_924305,ZINC22_1129629	449.908	DYRKMBYAGFNBTK-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142618
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC22_1129630,PC-id_1304920,CoCoCo_924304	449.908	DYRKMBYAGFNBTK-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142619
CCOC(=O)c1c(c2c(s1)[S+]=C(C2=NC=Nc1ccc(cc1)Cl)C(=O)OCC)[NH-]	PC-id_135891733	449.931	OFOOQDLWKXMUSE-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-142620
Clc1c(c2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cccc1	PC-id_4049489	449.931	VRROASKJOOWZJB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142621
Clc1cc(c2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc1	PC-id_4124916	449.931	KDJQVNMXKKYFMJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142622
Clc1ccc(c2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_4107064	449.931	YXDFLZBMYABXTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142623
COC(=O)c1c(NC(=O)CSc2nnnn2c2ccc(Cl)cc2)sc2c1CCC2	PC-id_2345322,EMOLS-id_2979952,MCULE-7340874041,ZINC22_3227144,CoCoCo_3007977	449.934	XCQXNDFIJQRMPQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142624
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1c(OC)ccc(Cl)c1	MCULE-1618271605,ZINC22_15946661,CoCoCo_6723786,EMOLS-id_2785170,PC-id_4316422,TIMTEC512534	449.951	VVLCNLQJWHYGGV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142625
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389010,MCULE-4310833490	449.951	PCYMQLXEAVEBGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142626
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(cc1)C(=O)NCC	PC-id_52704513	449.951	UYWDPHYDQHKQGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142627
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(C(=O)N(C)C)cc1	PC-id_55897154	449.951	LNUKMZHTRVTLPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142628
Clc1c(NC(=O)CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cccc1	PC-id_2698514	449.951	XTDSXPQVJIFUPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142629
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	CoCoCo_5199897,ZINC22_10337518,MCULE-7728595623,EMOLS-id_12048084,PC-id_16831654	449.974	WTXRMXPJCCZTNE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142630
c1(NC(=O)CS(=O)C(C)C(=O)Nc2cccc(Cl)c2C)sc2c(CCC2)c1C#N	EMOLS-id_320655836,MCULE-2941388024	449.974	DRNYZZDUFLJORF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142631
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(c(Cl)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_320666319,MCULE-9574950170	449.974	CXQBTVHNYVQUEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142632
CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)N)CCC2)CC(=O)NCc1ccc(cc1)Cl	PC-id_40881470,GD-id_ZINC08940967	449.974	PNYAQJAKAIQWBL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-142633
Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCCCC1	MCULE-3600023888,EMOLS-id_1492023,CoCoCo_360355,PC-id_1087708,BindingDB_PC-id_1087708,CHEMBL258811,BAS-07021625,ZINC22_806083	449.974	NYBBUZJLOXFDTK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142634
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_16861554	449.974	ZYPLUXLHQOWGCD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142635
Clc1c(n(nc1C)Cc1cc(sc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_19494658	449.974	PFUFQRBVAKDSKV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-142636
Clc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_2379122	449.974	JZVFDQPSDBSUCS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142637
Clc1ccc(CN2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_20175876	450.017	RMLZAADALGMSPL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142638
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_20175539	450.017	VMIBXBIIKXDMOF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142639
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(cc1)C	PC-id_19655045	450.017	PSCJLUYGOKNCMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142640
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_20175167	450.017	OEGITRFKAVQVKP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142641
CC1=C(N2CCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278698	450.074	HFNIJGQKFSLBBQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142642
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC(=NC=C3)C#N)Cl)NS(=O)(=O)N4CCC(C4)O	PC-id_155278741	450.088	AGSQHYXZJJQFNI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142643
c1(C(=O)Nc2sc3CCCc3c2C#N)c(c(Cl)c(Cl)c(Cl)c1C(=O)O)Cl	MCULE-6145759512,EMOLS-id_327801016	450.123	FKWUGXRTZBXPPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142644
C1C[C@H]([C@H](C1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl)N	PC-id_165157573	450.127	GXZMFLLTRBJWJJ-KGLIPLIRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142645
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CN=CC=C3)C(=N1)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_165180387	450.129	BRYNYTAVRIMHSB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-142646
CC1=C(N2CCCC2=C1C(=O)C(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155190852	450.132	YTZKUSUSECGQDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142647
CC1=C(N2CCCC2=C1C(=O)C(=O)N[C@@H](C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155177178	450.132	YTZKUSUSECGQDH-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-142648
CC1=C(N2CCCC2=C1C(=O)C(=O)N[C@H](C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155204456	450.132	YTZKUSUSECGQDH-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142649
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C(=O)C(=O)NC(C)C(F)(F)F	PC-id_155038436	450.132	OVNWEBZIZLVLSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142650
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C(=O)C(=O)N[C@H](C)C(F)(F)F	PC-id_154663322	450.132	OVNWEBZIZLVLSP-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142651
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C(=O)C(=O)N[C@@H](C)C(F)(F)F	PC-id_154663342	450.132	OVNWEBZIZLVLSP-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-142652
CC1=NN2CCN(C2=C1C(=O)NC3(CC3)C4=CC=C(C=C4)C(=O)O)CC5=CC=C(C=C5)Cl	PC-id_160912496	450.146	LUOSMECWIMJKFY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142653
CN(Cc1nnc2n1CCC2)S(=O)(=O)c1cc(Br)ccc1Br	PC-id_16588364,CoCoCo_4491292,EMOLS-id_11994913,ZINC22_12698242,MCULE-2469271919	450.149	AHKDFJYPOFAJDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142654
Brc1cc(c(s1)Br)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_107962056	450.169	HGBLAJVABCONOM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142655
Brc1cc(sc1Br)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_78906612	450.169	LKBVIVNVBJSGPI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142656
CC[C@@H](CC(=O)C1=C2N(CCS2)C(=C1)C(=O)N[C@H](C)C3=CC=C(C=C3)F)C4=CC=CC=C4	PC-id_161082366	450.178	UGBPIXBKFHTVFV-MSOLQXFVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142657
Cc1cc(c(cc1)F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C	PC-id_163833807	450.182	OFYKYQOQTPBWRR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142658
CN1CC(C1)CN2C3=C(CN(C3)C(=O)CC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-])C=N2	PC-id_161276098	450.182	AUMMXLHLTIKYJE-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-142659
CN1CC(C1)CN2C=C3CN(CC3=N2)C(=O)CC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-]	PC-id_161276097	450.182	UZNVALLYPRJFCP-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-142660
CC1CCC2=C1C(=NN2CC(=O)N3CCN(CC3)C4=CC=CC(=C4C)C(F)(F)F)C(=O)O	PC-id_153600152	450.188	ORRUEHMGCGCUQC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142661
CC1(C2=C(CN1C)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)N)C(=O)N(C)C)C	PC-id_153870512	450.205	CNTORDKCTUIMGW-SDDRHHMPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142662
C[C@@H]1CC(N(C1)C)(C)CNC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)Cl	PC-id_163806150	450.206	NJFDKONXRQGPFB-UAPALYRASA-N	00000010100000100001000010000000000000000000000000000000	25-01-142663
CC1=CC(=CC=C1)CN2C[C@H](N3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)O)CF	PC-id_160200721	450.207	OWQIWEWHONRPJD-HRAATJIYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142664
CCc1cc(c(cc1c1cc(c(cc1)C(=[NH2+])c1nc2c([nH]1)CN(C2)C(=O)CC(C)C)N)F)O	PC-id_163670242	450.23	JBXHTXWGMDKTRR-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-142665
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC(C5)(C)O)C	PC-id_151343650	450.263	OKZPSGLXVASFSL-UHFFFAOYSA-N	00001010100010110001100010000000000000000000000000000000	25-01-142666
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@@H](C5)O)C	PC-id_151141294	450.263	MWGKABLBLCHLIM-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142667
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@H](C5)O)C	PC-id_151141295	450.263	MWGKABLBLCHLIM-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142668
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCOCC5)C	PC-id_150573466	450.263	IMICZSXNEDLDRP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142669
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC=C5	PC-id_150707547	450.263	JNEJFQDIDPCYBN-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142670
CC[Si](C)(C)C(C)(C)C(=O)NC1=NN(C2=C1CN(C2(C)C)C(=O)OC(C)(C)C)C(=O)C	PC-id_161009779	450.266	TWZDCQSJNHZAKV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142671
COc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)ccc1O	EMOLS-id_324847346	450.295	XOMXWOVNOVCERV-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142672
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-9129844565	450.295	XOMXWOVNOVCERV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142673
Brc1cc(C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_4580884	450.306	TYNRVHASPDGZQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142674
Brc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_9677627	450.306	TYNRVHASPDGZQA-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142675
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(F)c(C)c3)/c(=O)n2n1	EMOLS-id_324914702	450.313	PTUZOXKXVBMKNH-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142676
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)ccc1F	PC-id_16947426	450.313	BEUYCXXLBDVTOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142677
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)ccc1Cl	PC-id_16947266	450.313	UQOABXPABQATBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142678
Fc1ccccc1/C=c/1sc2nc(CCCOc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324915714	450.313	VVHJLBXZXBKPIY-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142679
Fc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324918785	450.313	YTIQAACMLZCLLS-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142680
Fc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324918787	450.313	ORIULOPJNRGPHZ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142681
n12c(=O)c(=Cc3ccc(F)c(C)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-8664490129	450.313	PTUZOXKXVBMKNH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142682
n12nc(nc1sc(=Cc1ccccc1F)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-9682456102	450.313	VVHJLBXZXBKPIY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142683
n12nc(nc1sc(=Cc1cccc(F)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-4509648804	450.313	ORIULOPJNRGPHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142684
n12nc(nc1sc(=Cc1ccc(F)cc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-5955299968	450.313	YTIQAACMLZCLLS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142685
COc1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc(Br)c1O	EMOLS-id_324829950	450.329	AJIBTJKNLVRZAN-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-142686
n12nc(nc1sc(=Cc1cc(c(O)c(Br)c1)OC)c2=O)Cc1cccs1	MCULE-8498158443	450.329	AJIBTJKNLVRZAN-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-142687
Clc1c(c2oc(nc2)CCC(=O)NNC(=O)c2sc3CCCc3c2)ccc(Cl)c1	PC-id_43039952	450.338	GYNLLPMHCRXNJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142688
Clc1cc(c2n(nc(n2)C)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1Cl	PC-id_60254372	450.342	WSZUEHKGNKVRRE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142689
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4sccc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24947134,SCHEMBL3485551	450.342	ZLAMDAAXOKYDRP-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-142690
Brc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OC)cc1	PC-id_19206476	450.346	LNEJZKWWUDZFBM-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142691
Brc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCC)cc1	PC-id_5561017	450.346	QOZQIFFZVXAQBM-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142692
c1(NC(=O)C=Cc2cc(Br)ccc2OCC)sc2c(CCC2)c1C(=O)OC	PC-id_4592710,MCULE-5597957384	450.346	QOZQIFFZVXAQBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142693
c1(NC(=O)C=Cc2cc(Br)ccc2OC)sc2c(CCC2)c1C(=O)OCC	PC-id_73568940,MCULE-5357505914	450.346	LNEJZKWWUDZFBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142694
c1(NC(=O)C=Cc2ccc(c(Br)c2)OC)sc2c(CCC2)c1C(=O)OCC	PC-id_1183518,MCULE-5629658306	450.346	FHWSAHICABDYJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142695
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(c(c2)Br)OC)sc2c1CCC2	CoCoCo_5839977	450.346	FHWSAHICABDYJL-NTMALXAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142696
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(Br)c2)sc2c1CCC2	TIMTEC145446,EMOLS-id_26501365,PC-id_1183519,CoCoCo_5839976,ZINC22_943622	450.346	FHWSAHICABDYJL-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142697
CCOC(=O)c1c(NC(=O)CCC(=O)c2ccc(Br)cc2)sc2CCCc12	MCULE-7989289437,EMOLS-id_327896841	450.346	KKCDSRDOBQPXRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142698
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccccc1Br)Cc1ccco1	PC-id_92109671	450.349	JRSFRYGLSIHSBY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-142699
CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)sc2c1CCC2	ZINC22_408630980	450.357	YSUTYLXBUBQVBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142700
CSc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324849396	450.361	XDNDFEVFHQWVCK-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142701
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-1478265268	450.361	XDNDFEVFHQWVCK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142702
Brc1cc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)ccc1OCC	PC-id_17074097	450.373	CSEDHTFUSYPKCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142703
Brc1cc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c(OCC)cc1	PC-id_17353320	450.373	QAPQRPZHPGCLEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142704
c1(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)sc2c(CCC2)c1C#N	MCULE-8944885910,ZINC22_1125037,CoCoCo_1014396,EMOLS-id_1810101,SPECS-id_AN-153/I253053,PC-id_1301155	450.373	DJMFOVDEEDNTAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142705
Clc1cc(C2OCCN(C2)CCC(=O)Nc2sc3c(CCC3)c2C#N)ccc1Cl	PC-id_60229603	450.381	DEXVKCPVVHHXCA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142706
c1(c2CCCc2sc1NC(=O)CCNCCC)C(=O)Nc1ccc(cc1)Br	EMOLS-id_2785834,TIMTEC85940,PC-id_3740696,CoCoCo_6724263,ZINC22_15946929,MCULE-4437789938	450.392	BTJXVTJTQCVOLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142707
c1(c2CCCc2sc1NC(=O)CCNC(C)C)C(=O)Nc1ccc(cc1)Br	EMOLS-id_2785836,ZINC22_15946931,MCULE-3971403746,PC-id_3802615,CoCoCo_6724264	450.392	HLQGMACJLJGZGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142708
c1(c2CCCc2sc1NC(=O)CNCC(C)C)C(=O)Nc1ccc(cc1)Br	EMOLS-id_2784798,PC-id_3703305,MCULE-3737403434,TIMTEC195066,ZINC22_8430041,CoCoCo_6728295	450.392	HLNUPVDZPBAIPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142709
CCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)Cl)Cl	PC-id_20528174,SCHEMBL10935117	450.398	FOQBIWUWYANVIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142710
c1(NC(=O)c2ccc(cc2)C(F)(F)F)c2CSCc2nn1CC(=O)NCc1ccco1	EMOLS-id_24913415,MCULE-7807951725,ZINC22_23139300,CoCoCo_5277693,PC-id_30862578	450.434	BCBRBCOMOBCAEK-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-142711
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(F)(F)F)CC(=O)NCc2occc2)C1	PC-id_44053221	450.434	KQAMBCMFWOYQIB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-142712
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C(F)(F)F)CC(=O)NCc2occc2)C1	PC-id_44053222	450.434	ULLWURGNZLCBTO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-142713
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C(=O)ONc1c(cccn1)N	PC-id_134302841,SCHEMBL19920553	450.451	OESOGMVDLUBHTF-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-142714
FC(F)(F)c1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2C[C@H](NCC2)C)(C)C)cc1	PC-id_10321515	450.457	URWXYPNTYAAUNH-GFCCVEGCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142715
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1cc(F)c(F)cc1)C(=O)OCC	PC-id_49709083	450.459	BKLBYHMQHYEALQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142716
Fc1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)OC(C)(C)C)C(=O)c2ccccc2)cc1	PC-id_71476941	450.462	UGEDXBFCTDDRAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142717
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)c1ccccc1)c1ccc(cc1)F	PC-id_141257360	450.462	ALQMGIRLZGQZMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142718
Cc1cc(cc(c1)F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C	PC-id_134599032,SCHEMBL20252933	450.466	OPWHYIBIWKCAAY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142719
Cc1ccc(c(c1)F)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)c1nn[nH]c1	PC-id_134599055,SCHEMBL20252956	450.466	RQCWRACREKATJJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142720
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)F	SCHEMBL20252899,PC-id_134598998	450.466	TZJSVJVMPCWUQK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142721
Cc1c(c(ccc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)F	SCHEMBL20252967,PC-id_134599066	450.466	QXCANVKNZULXPR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142722
N#Cc1cc(cc(c1)F)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)/C(=C/N)/N	PC-id_142295103	450.466	IZGJMDHCFFZCAK-BOPFTXTBSA-N	00100010100000110000000010000000000000000000000000000000	25-01-142723
CCOC(=O)c1ccc(NC(=O)COc2ccccc2/C=c/2sc3ncnn3c2=O)cc1	PC-id_117588192,EMOLS-id_190367308,ZINC22_256028099	450.467	SWTUYZDZCIRTKU-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142724
CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2)cc1	PC-id_117588546,ZINC22_256055672	450.467	PFKUQMKGAFGHJC-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142725
CCOC(=O)c1ccc(NC(=O)COc2cccc(/C=c/3sc4ncnn4c3=O)c2)cc1	PC-id_117588447,ZINC22_256055491	450.467	IMBIUBCAKSNNSE-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142726
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)OCC)c2=O	MCULE-1231889505	450.467	PFKUQMKGAFGHJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142727
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)C(=O)OCC)c2=O	MCULE-4870855138	450.467	IMBIUBCAKSNNSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142728
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)C(=O)OCC)c2=O	MCULE-6507610187	450.467	SWTUYZDZCIRTKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142729
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3583291,EMOLS-id_3221680,CoCoCo_3583292,ZINC22_2650971,MCULE-5878187330,PC-id_2114231	450.477	LKOVNOZZWXCQIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142730
CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3581816,EMOLS-id_3223154,ZINC22_2652386,MCULE-2496669287,CoCoCo_3581817,PC-id_2115729	450.477	SZPWRVZZKFVANA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142731
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(cccc1)C(F)(F)F)C)C#N	PC-id_24589136	450.477	CAMIFQICYXJTGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142732
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(OCc2ccc(F)cc2)cccc1)C#N	PC-id_16532920	450.482	VLRHAGBIHOZIRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142733
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CCNC1)F)(C(=O)NO)S(=O)(=O)C	PC-id_135315407,SCHEMBL20484880	450.484	UVPHZWCQBXFDGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142734
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CN(C1)C)F)(C(=O)NO)S(=O)(=O)C	PC-id_135315427,SCHEMBL20484903	450.484	SKEFWYGKZDVQQO-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-142735
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@@H](CN1)F)(C(=O)NO)S(=O)(=O)C	PC-id_135315297,SCHEMBL20484742	450.484	KTPSUNOZFJFWCI-RZQQEMMASA-N	00000010100000000001000010000000000000000000000000000000	25-01-142736
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@@H](CN1)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484743,PC-id_135315298	450.484	KTPSUNOZFJFWCI-QRFGBVCESA-N	00000010100000000001000010000000000000000000000000000000	25-01-142737
CN1CC(F)(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)C1	SCHEMBL20484817,PC-id_135315359,CHEMBL4534343	450.484	SKEFWYGKZDVQQO-LJQANCHMSA-N	00001010100000000001000010000000000000000000000000000000	25-01-142738
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(F)CNCC1)C	SCHEMBL20484879	450.484	UVPHZWCQBXFDGD-FIWHBWSRSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142739
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-1755835335,EMOLS-id_321802620	450.485	XFLHUJNVRXWIQL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142740
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccccc2F)sc2c(CCC2)c1C#N	MCULE-4080821259,EMOLS-id_321808242	450.485	FQFOOZOTNSAOGR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-142741
C[C@]1(COc2ccc(N3CCC(Oc4ccccc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	CHEMBL219240,PC-id_6483578	450.487	ILTPSMAXNJSNTE-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-142742
C=C/C=CC(=C)C(=O)Nc1nn(c2c1CN(C2)C(=O)[C@H](c1ccccc1)OC)C(=O)OCC	SCHEMBL18485249	450.487	OEZHARRGHRNCEJ-QRGKHIHXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142743
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(Oc3ccccc3)CC2)cc1)C	PC-id_78413381	450.487	ILTPSMAXNJSNTE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142744
O=C(N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)Cc1ccccc1)c1ccccc1	PC-id_71451514	450.489	AFHSWGYLKDQKFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142745
O=C(N1Cc2n(nc(NC(=O)c3ccccc3)c2C1)C(=O)C)c1ccc(cc1)c1ccccc1	PC-id_71456685	450.489	XYKXWMAVEIBWMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142746
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nc(nc(n1)OC)OC)C	SCHEMBL1369266,PC-id_89796600	450.494	QGPCGIJRHLKXAP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142747
COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(OC)n1	BindingDB-id_218904,BindingDB_PC-id_59474144,SCHEMBL12143716,PC-id_59474144	450.494	QGPCGIJRHLKXAP-AFYYWNPRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142748
COc1nc(nc(n1)OC)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_67008296,SCHEMBL1369264	450.494	QGPCGIJRHLKXAP-DZGCQCFKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142749
COc1nc(nc(n1)OC)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247492	450.494	QGPCGIJRHLKXAP-HIFRSBDPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-142750
CC(C)CC(=O)N1Cc2c(C1)[nH]nc2C(N1CCC(CC1)c1ccccc1C(F)(F)F)O	SCHEMBL20696270,PC-id_137456805	450.497	XNMMSWNPOWDVQA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142751
c1(NC(=O)CSc2nc(CC)c(c(C(F)(F)F)c2C#N)C)sc2c(CCC2)c1C#N	EMOLS-id_8250765,PC-id_1005468,SPECS-id_AM-807/41624183,MCULE-9123002337,ZINC22_663861,CoCoCo_6930764	450.5	LKYHBCKJWVJFPV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142752
c12N3CCC(CC3)c1c(c(NC(=O)Cn1c3CCCc3c(C(F)F)n1)s2)C(=O)OCC	ZINC22_101564730,PC-id_19614492,MCULE-7900686375,EMOLS-id_8869038	450.502	RSOVNCZHGYIYTC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142753
c1(NC(=O)C=Cc2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7610869121	450.507	XOAXWABAGGNGLZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-142754
COC(=O)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334341792	450.507	XOAXWABAGGNGLZ-FMIVXFBMSA-N	00000010101000110000000010000000000000000000000000000000	25-01-142755
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(OC)cc1	PC-id_45637982	450.507	SHFODRDNLRUCSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142756
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)Nc1c(OC)cccc1	PC-id_16505598	450.507	XJUGKIKTCSEKMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142757
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(Oc2ccccc2)cccc1)C)C(=O)N	PC-id_37291908	450.507	ZOKCJVOGPSHXQW-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142758
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(Oc2ccccc2)cccc1)C)C(=O)N	PC-id_37291909	450.507	ZOKCJVOGPSHXQW-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142759
s1c2c(CCC2)c(c1NC(=O)COc1c(cccc1)C(=O)Nc1ccccc1)C(=O)OC	PC-id_16521542	450.507	XSNBZJLRIGCKDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142760
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(Oc2ccccc2)cccc1)C)C(=O)N	PC-id_74656525	450.507	ZOKCJVOGPSHXQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142761
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OCc2ccccc2)cccc1)C(=O)N	PC-id_24350745	450.507	BJNCJIUHIKJQRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142762
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(c2ccccc2)cccc1)C(=O)N	PC-id_41567962	450.507	RAJHRFBKJSOFLL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-142763
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)N	PC-id_45618861	450.507	PYKQIANHVWLZDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142764
c1(C(=O)NCCN2CCN(CC2)c2ccccc2F)cc2n(C[C@@H](Oc3ccncc3)C2)n1	EMOLS-id_316323134,MCULE-2231459016	450.509	UOBXMHOZASGUNA-FQEVSTJZSA-N	00000010100010111001100010000000000000000000000000000000	25-01-142765
CCCn1c(N)c(N(CCOC)C(=O)COC(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O	EMOLS-id_24970890,PC-id_40925211,MCULE-5071614862,CoCoCo_2840906,ZINC22_9070226	450.509	WKXUPIRNAZXZPQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-142766
CNC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F	SCHEMBL14521372,PC-id_71191365	450.509	WDVZLCNUSMFXAB-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142767
O=C(c1cc2n(n1)CC(C2)Oc1ccncc1)NCCN1CCN(CC1)c1ccccc1F	MCULE-6456053925	450.509	UOBXMHOZASGUNA-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-142768
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC(=O)NCCOC)C1	PC-id_44052943	450.509	AHJOLWYYYZHWTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142769
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C=CC=C2)C1)C(=O)NCc1occc1	PC-id_78397066	450.51	XXKXXTUSLAHKQH-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-142770
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(n2cccc2)cc1)C)C(=O)OC	PC-id_3269670	450.51	LYTXQFMBNQXTTA-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-142771
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(n2cccc2)cc1)C)C(=O)OC	PC-id_5778239	450.51	LYTXQFMBNQXTTA-AFUMVMLFSA-N	00000010110000110000100010000000000000000000000000000000	25-01-142772
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)C(=O)c1occc1	PC-id_16947036	450.51	XRQJJXBMTZAGFP-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-142773
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1c(OC)ccc(NC(=O)C)c1	PC-id_16947171	450.51	UMIHIZCMYNKAOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142774
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)C)cc1	PC-id_16947962	450.51	SGRICOKJSSGYFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142775
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(NC(=O)C)ccc1	PC-id_16947961	450.51	OHHULGXVJCPPBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142776
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(=O)OC)CC(=O)NCc2ccccc2)C1	PC-id_44053466	450.51	IVQOLKYOBWOMIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142777
C=Cc1nn2c(c1C(=O)NC(c1ccc(cc1)C)C)N(CC2)Cc1cccc(c1)C(F)(F)C	PC-id_145296930	450.524	ORHAKHRWAJFTMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142778
CCOC(=C)N=CC(=C(C)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1(CCN(CC1)C)F)F	PC-id_89247288	450.525	YFRXGYLGLSQYHS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142779
CCOC(=C)/N=CC(=C(Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1(F)CCN(CC1)C)/C)F	SCHEMBL14103854	450.525	YFRXGYLGLSQYHS-BQPBNLGGSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142780
c1(NC(=S)Nc2cc(OC)c(cc2C(=O)OC)OC)sc2c(CCC2)c1C(=O)OC	Chemmine_18431,PC-id_2207167,MCULE-7562626745,ZINC22_2853510,ChEMBL-DNDi_CHEMBL7797409,CoCoCo_993532,TIMTEC74371,EMOLS-id_2003313,GD-id_ZINC02853510	450.528	BGQQZFIVTWPYOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142781
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@@H]1C[C@H]1CO)(C(=O)NO)S(=O)(=O)C	PC-id_137440968,SCHEMBL20678279	450.528	FWOMEOOMZSWKEC-FOQQBSBESA-N	00100010100000000000000010000000000000000000000000000000	25-01-142782
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678294,PC-id_137440982	450.528	FWOMEOOMZSWKEC-VOXKTVDUSA-N	00100010100000000000000010000000000000000000000000000000	25-01-142783
C[C@@](CCN1Cc2cc(C#CC#CC3(CO)CC3)sc2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678235,PC-id_137440928,CHEMBL4564186	450.528	XHPLAXHXIMHISM-LJQANCHMSA-N	00100010100000000000000010000000000000000000000000000000	25-01-142784
C[C@@](CCN1Cc2cc(C#CC#C[C@H]3C[C@@H]3CO)sc2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4446012,SCHEMBL20678293,PC-id_137440981	450.528	FWOMEOOMZSWKEC-XBHMSOGKSA-N	00100010100000000000000010000000000000000000000000000000	25-01-142785
C[C@@](CCN1Cc2cc(C#CC#C[C@@H]3C[C@H]3CO)sc2C1=O)(C(=O)NO)S(=O)(=O)C	PC-id_137440966,SCHEMBL20678277,CHEMBL4530844	450.528	FWOMEOOMZSWKEC-IAMHBRQHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-142786
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2	PC-id_24044190,CoCoCo_3314596,ZINC22_12745641,MCULE-3693987397,EMOLS-id_17155889	450.528	SINRMNOTEWZHRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142787
COC(=O)c1c(NC(=O)CN(c2cccc(C(=O)C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408627964	450.528	RZFIIHXEMNYPKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142788
O=C(CCS(=O)(=O)c1ccc(cc1)C)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3250221,CoCoCo_2782661,PC-id_2083271,MCULE-1028425163	450.528	QYSFRPKZXGCUMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142789
OC(=O)C1CCn2c1ccc2C(=O)c1cccc(c1)N(Cc1ccccc1)Cc1ccccc1	PC-id_139746928	450.528	JKDFJILAAOCGRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142790
OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1	PC-id_139746944	450.528	HVWXVPTZNGDQHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142791
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1	PC-id_139746973	450.528	GMRHNYZJLJPZIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142792
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1(CO)CC1)C	SCHEMBL18587703	450.528	XHPLAXHXIMHISM-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-142793
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)NC	PC-id_4675938	450.528	FFGDMPHQOAQAMS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142794
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)NC(=O)OCC	PC-id_41044760	450.528	HILXLRFFUKXNAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142795
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)NC(=O)OC	PC-id_41149050	450.528	DHLBXHIODAZJDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142796
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C(=O)NC(=O)OCC	PC-id_41044261	450.528	LFQXQLYQWFBPTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142797
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C(=O)NC(=O)OC	PC-id_41148256	450.528	OBLBXIHJCUXIOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142798
s1c2c(CCC2)c(c1NC(=O)c1c(S(=O)(=O)CC)cccc1)C(=O)NC(=O)OCC	PC-id_41028481	450.528	MOJSIAGMTWRBIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142799
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C)cc1)C(=O)NC(=O)OCC	PC-id_41139666	450.528	NMRUGELUSYMLMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142800
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(=O)NC(=O)OC	PC-id_41146388	450.528	KMHNNAGKVWZGGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142801
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)C(=O)NC(=O)OC	PC-id_41273248	450.528	RBKGEKUWJHWJOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142802
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OC	PC-id_41583257	450.528	KRWXTAGYKNROMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142803
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNC(=O)c1sccc1)C(=O)OCC	PC-id_29576110	450.528	NPNGMAZLKSHZGF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142804
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1sc(cc1)C)C(=O)OCC	PC-id_5036667	450.528	KSOWMBJQDNSISJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142805
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1sccc1)C)C(=O)OCC	PC-id_55485480	450.528	PFTCNGKJBYJJBG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142806
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_41582324	450.528	KSZVLAYOJQXJFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142807
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1ccc(F)cc1	PC-id_16947033	450.528	NCNDIHDEMXPTHM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142808
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_16947032	450.528	OHGWIQUAOCBIFQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142809
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)c1ccccc1	PC-id_16947186	450.528	FNMKKMVLCXDZIL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-142810
S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_16505645	450.528	VCZVYQWDOXKMDF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142811
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)COC(=O)c2sc3CCCc3c2)ccc1	PC-id_3543708	450.528	QPUSUQMSCXSNPE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142812
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1	MCULE-2445696136,EMOLS-id_43971876,CoCoCo_4164160,ZINC22_15636618,PC-id_26723184	450.532	ISHAWPMDHZLFKZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142813
CCCNC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	SCHEMBL11232420,PC-id_56634763	450.532	ZGRJQBAIKBMNRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142814
NC(=O)c1c(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)sc2c1CCC2	MCULE-8079887536,CoCoCo_3167731,ZINC22_12908734,PC-id_25594920,EMOLS-id_16723574	450.532	YJPQLGWPZQTUCD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-142815
O1C(CN2CCC(N3C[C@@H](N(CC3)C(=O)O)C(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635283	450.532	UCUMVMNFFGEKLG-UJONTBEJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142816
O1[C@@](CN2CCC(N3CCN(CC3)C(=O)OC(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635269,SCHEMBL6010731	450.532	GWDVVKYBVGLAPG-NRFANRHFSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142817
O1C(CN2CCC(N3CC(N(CC3)C(=O)O)C(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635274	450.532	UCUMVMNFFGEKLG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142818
O1C(CN2CCC(N3CCN(CC3)C(=O)OC(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_77712941	450.532	GWDVVKYBVGLAPG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142819
O1C(CN2CCN(C3C[C@H](N(CC3)C(=O)O)C(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635226	450.532	YYEZHWQBKXBMBO-TZQQIIETSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142820
O1C(CN2CCN(C3CC(N(CC3)C(=O)O)C(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69635216	450.532	YYEZHWQBKXBMBO-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142821
O1C(CN2CCN(C3CCN(CC3)C(=O)OC(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_77712912	450.532	WOKCWDIFSVTSGW-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142822
O1[C@@](CN2CCN(C3CCN(CC3)C(=O)OC(C)(C)C)CC2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL6010677,PC-id_69635208	450.532	WOKCWDIFSVTSGW-NRFANRHFSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142823
O=C(CN(S(=O)(=O)c1ccc(cc1)NC(=O)C)C)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3440004,MCULE-2567067057,EMOLS-id_13563325,PC-id_22108269	450.532	WUKFVOONJOEELY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142824
s1c2CCCc2cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(NC(=O)C)cc1)C	PC-id_24540823	450.532	AMKXRYPRMLLPLC-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-142825
s1c2CCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1ccc(NC(=O)C)cc1)C	PC-id_74293258	450.532	AMKXRYPRMLLPLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142826
s1c2CC(Cc2cc1)(CC(=O)c1cc(OCCc2cc(ccc2)C)c(OC)cc1)C(=O)O	PC-id_58318361	450.547	MIFFTTWFOAWKKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142827
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)NC(=O)OCC	PC-id_41272001	450.547	ANSFZHPIIMODMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142828
s1cc2CC(Cc2c1)(CC(=O)c1cc(OCCc2cc(ccc2)C)c(OC)cc1)C(=O)O	PC-id_58318504	450.547	RKFCRPKUVFRHTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142829
c1(c2CCCc2sc1N=Cc1ccc(cc1)OCC)C(=O)Nc1ccc(cc1OC)OC	MCULE-2375399312,PC-id_5143093	450.55	BSYATYCSEPKHDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142830
c1(c2CCCc2sc1NCc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)C(=O)OCC	MCULE-7560373317,PC-id_4080387,CoCoCo_2720382,EMOLS-id_9919714	450.55	DKKSRJLEAJTRDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142831
c1(c2CCCc2sc1NCc1cccc(OC)c1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_5082516,EMOLS-id_16406124,MCULE-3634349411,CHEMBL1434351,CoCoCo_2720385,ZINC22_3065998	450.55	CNXTZAPKEPORIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142832
c1(c2CCCc2sc1N=Cc1cccc(OC)c1OC)C(=O)Nc1ccc(cc1)OCC	MCULE-1738302019,PC-id_3765851	450.55	DBTZSVKVAMMNOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142833
c1(c2CCCc2sc1N=Cc1cccc(OC)c1OC)C(=O)Nc1ccccc1OCC	PC-id_4662526,MCULE-8080555602	450.55	JPWBQSMQTLKFOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142834
c1(c2CCCc2sc1N=Cc1cc(OC)ccc1OC)C(=O)Nc1ccc(cc1)OCC	MCULE-2868772059,PC-id_3570966	450.55	FRFCPBIAGPEXII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142835
c1(c2CCCc2sc1NC(=O)Cc1ccc(cc1)OCC)C(=O)Nc1ccccc1OC	CoCoCo_6796496,TIMTEC503681,ZINC22_20176446,PC-id_4498738,EMOLS-id_4136921,MCULE-6501101446	450.55	VLOHFPFFGGTGER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142836
c1(c2CCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccccc1OCC	EMOLS-id_2123885,MCULE-9746221876,Chemmine_8042,CHEMBL1440930,SCHEMBL18415247,CoCoCo_736640,ZINC22_8589781,PC-id_2884776,TIMTEC307732	450.55	MHAHIKUYWJPDPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142837
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329507,MCULE-9598318294	450.55	SIFFTRNHPKVEGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142838
c1(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388766,MCULE-6585931380	450.55	UHSUZXTWPCMFSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142839
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9771122548,EMOLS-id_334330786	450.55	ZUYOEQKLTYHDQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142840
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3072954156,EMOLS-id_334330531	450.55	IMURBYQSIKSIFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142841
c1(NC(=O)C(C)Oc2ccc(cc2)O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328740,MCULE-4357143940	450.55	CLCBQQHHLSBMGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142842
c1(NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330031,MCULE-8329240689	450.55	LQSCWHOFCOHGOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142843
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1939401784,EMOLS-id_334328491	450.55	DMQWTJLQXLYBHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142844
c1(NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334332066,MCULE-7011967902	450.55	MTFMUQFMJNNXGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142845
CCOc1ccc(cc1)/C=Nc1sc2c(c1C(=O)Nc1ccc(cc1OC)OC)CCC2	CoCoCo_6250604	450.55	BSYATYCSEPKHDM-YSMPRRRNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142846
CCOc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1cccc(OC)c1OC	PC-id_9681618,EMOLS-id_46413497,ZINC22_15945631,TIMTEC245660,CoCoCo_6728466	450.55	JPWBQSMQTLKFOO-CVKSISIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142847
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2cccc(c2OC)OC)sc2c1CCC2	CoCoCo_6728465	450.55	DBTZSVKVAMMNOQ-YSMPRRRNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142848
CCOc1ccccc1NC(=O)c1c(/N=Cc2cccc(c2OC)OC)sc2c1CCC2	CoCoCo_6728467	450.55	JPWBQSMQTLKFOO-YSMPRRRNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142849
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2cc(OC)ccc2OC)sc2c1CCC2	CoCoCo_6728491	450.55	FRFCPBIAGPEXII-YSMPRRRNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142850
CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1	EMOLS-id_46388791,PC-id_9609393,CoCoCo_6250603,ZINC22_9907692	450.55	BSYATYCSEPKHDM-CVKSISIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142851
CCOc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cccc(OC)c2OC)cc1	PC-id_9634942,ZINC22_15945625,CoCoCo_6728464,EMOLS-id_46413495,TIMTEC116589	450.55	DBTZSVKVAMMNOQ-CVKSISIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142852
CCOc1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cc(OC)ccc2OC)cc1	TIMTEC153786,CoCoCo_6728490,ZINC22_15945627,EMOLS-id_46413515,PC-id_9626216	450.55	FRFCPBIAGPEXII-CVKSISIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142853
COc1cc(ccc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)csc2)CCN(C)C	PC-id_68472076,SCHEMBL2999761	450.55	RWBLBDOGIUQMRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142854
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCCC	PC-id_73266353	450.552	PCLGMCNVXWXTIC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142855
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)N1CCOCC1)C(=O)OCC	PC-id_31295297	450.552	UXRCDTSPWRWISZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-142856
c1(NC(=O)c2ccc(c(C)c2)C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	ZINC22_90557755,PC-id_44053527,EMOLS-id_44394036,MCULE-7658869399	450.553	LENWAPSIZJELLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142857
CCN(CC)c1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324923401	450.553	JSMXTDMIOHITDG-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-142858
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(cc4)N(CC)CC)/c(=O)n3n2)cc1	EMOLS-id_324880387	450.553	DQFNSFFBTXJGCA-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142859
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-6928739800	450.553	JSMXTDMIOHITDG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142860
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)COc1ccc(cc1)OCC	MCULE-7537965309	450.553	DQFNSFFBTXJGCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-142861
N#C/C(=C/c1cc(n(c1C)CC(C)C)C)/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_3150838,PC-id_97933208	450.553	XRLLNSRUNMTZQM-NVMNQCDNSA-N	00000010110000000000000010000000000000000000000000000000	25-01-142862
N#CC(=Cc1cc(n(c1C)CC(C)C)C)C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	MCULE-7965197721,PC-id_72038399,EMOLS-id_43793187	450.553	XRLLNSRUNMTZQM-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-142863
N#C/C(=Cc1cc(n(c1C)CC(C)C)C)/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_16271284,CoCoCo_3150839	450.553	XRLLNSRUNMTZQM-GIJQJNRQSA-N	00000010110000000000000010000000000000000000000000000000	25-01-142864
O(CC1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)c1ccc(C[NH+](Cc2nocc2)C)cc1	PC-id_74780268	450.553	SHEJMOUIOMUWKK-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-142865
O(C[C@@H]1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)c1ccc(C[NH+](Cc2nocc2)C)cc1	PC-id_42165363	450.553	SHEJMOUIOMUWKK-LJQANCHMSA-O	00000010100010110001000010000000000000000000000000000000	25-01-142866
O(C[C@H]1CCCN(C1)C(=O)c1n[nH]c2c1CCC2)c1ccc(C[NH+](Cc2nocc2)C)cc1	PC-id_42165365	450.553	SHEJMOUIOMUWKK-IBGZPJMESA-O	00000010100010110001000010000000000000000000000000000000	25-01-142867
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)C(c1ccccc1)c1ccccc1	PC-id_44052958	450.553	XMPGWZYRLBISCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142868
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053526	450.553	VLRRTFDZGGHXDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142869
S1Cc2c(nn(c2NC(=O)c2ccc(OCC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053822	450.553	LLJLBGPHFFDDHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142870
S1Cc2c(nn(c2NC(=O)c2ccc(OC(C)C)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053398	450.553	KEJBRGRQWKLMTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142871
S1Cc2c(nn(c2NC(=O)c2c(OCC)cccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053821	450.553	SQEYFXKVBKCQDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142872
S1Cc2c(nn(c2NC(=O)Cc2ccc(cc2)c2ccccc2)CC(=O)NCCOC)C1	PC-id_44053045	450.553	ZUQIWQMMFWEMGB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142873
S1Cc2c(nn(c2NC(=O)Cc2cc(ccc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053582	450.553	XSKRIUHPKYWMTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142874
S1Cc2c(nn(c2NC(=O)Cc2ccc(OC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053864	450.553	KNOSFGHQOLMVOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142875
S1Cc2c(nn(c2NC(=O)Cc2ccc(OCC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053439	450.553	YBYKZQOBNKGNOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142876
S1Cc2c(nn(c2NC(=O)CCc2ccccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053585	450.553	VUEBSXBSIRYZQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142877
S1Cc2c(nn(c2NC(=O)CCc2ccc(OC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053455	450.553	ABVZHPHDPVCKLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142878
S1Cc2c(nn(c2NC(=O)C(Oc2ccccc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053856	450.553	BRVUQSKBYAQZSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142879
S1Cc2c(nn(c2NC(=O)COc2c(cccc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053859	450.553	UGNUXSUUIBWCSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142880
S1Cc2c(nn(c2NC(=O)COc2cc(ccc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053860	450.553	ADKPGIGXTNMKJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142881
S1Cc2c(nn(c2NC(=O)COc2ccc(cc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053861	450.553	FDOPUIVODINPMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142882
c1(NC(=O)CS(=O)CC(=O)Nc2sc(c(C)n2)C(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_320677997,MCULE-3605162312	450.555	CHHGDCNORINKRT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142883
COc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCc3s2)cs1	MCULE-3756252416,EMOLS-id_323466394	450.555	IRKYEHCGLMHRAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142884
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)c1c(onc1C)C	PC-id_41132071	450.555	MKQFFUNSDBATSX-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-142885
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)Cc3ccsc3)C4)cc2)CC1	PC-id_44400234,CHEMBL363857	450.557	VRMFCSGALWSPQI-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-142886
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccs3)C4)cc2)CC1	SCHEMBL2923319,PC-id_11751305,EMOLS-id_49258016,CHEMBL516110,BindingDB-id_21833,BindingDB_PC-id_11751305	450.557	BMCKWRUTJXVUFF-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-142887
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)sc2c(CCC2)c1C(=O)OCC	MCULE-3588240005,ZINC22_1514833,CoCoCo_1661590,PC-id_3323311,EMOLS-id_2567365	450.572	JIJNAIIFRZEILP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142888
CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc3c(s2)CCC3)ccc1C	PC-id_4782218,EMOLS-id_43413380,ZINC22_12634942,CoCoCo_2840964,MCULE-3606787663	450.572	LXCCPLVXKGPKMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142889
CCOC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408619351	450.572	LTNRIYPKCOGHIP-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142890
CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408619352	450.572	LTNRIYPKCOGHIP-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142891
CCOC(=O)c1c(NC(=O)CN(c2ccccc2CC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408601705	450.572	BIVGHYLNSVPGCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142892
CCOC(=O)c1c(NC(=O)CN(c2c(C)cccc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408629387	450.572	AHABYGXHZGVTKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142893
CCOC(=O)c1c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408630419	450.572	UGFBZLWEJKUFHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142894
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408602029	450.572	BXCPKNRSDAMBPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142895
CCOC(=O)c1c(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408615640	450.572	BPZNNNKTOXWIEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142896
CCOC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408630899	450.572	XQZXPHJDHFUIJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142897
COC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408613708	450.572	XOMOGVWNPLJXSO-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142898
COC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408613711	450.572	XOMOGVWNPLJXSO-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142899
COC(=O)c1c(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408624222	450.572	GGCOUGHLIGMGEU-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142900
COC(=O)c1c(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408624224	450.572	GGCOUGHLIGMGEU-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142901
COC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408613654	450.572	XAAHDFTUKBRJCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142902
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)OCC	PC-id_44993085	450.572	IAESMESVKCUFIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142903
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)C)cc1)C(=O)OC	PC-id_23958963	450.572	RQGWCEWMWFVTHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142904
CCOc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCC2	GD-id_ZINC16192984	450.573	JWUVUUNZYOYSHQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-142905
COc1ccc(CNCc2n[nH]c3c2CCC3)cc1OC[C@H](O)CN(C)Cc1ccccc1	CoCoCo_1533675,CoCoCo_1533671,ZINC22_11817280,CoCoCo_1533669,PC-id_42194372,CoCoCo_1533673	450.573	OXIOYPJCBMIFFY-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142906
COc1ccc(CNCc2n[nH]c3c2CCC3)cc1OC[C@@H](O)CN(C)Cc1ccccc1	CoCoCo_1533676,CoCoCo_1533670,PC-id_42194370,CoCoCo_1533672,CoCoCo_1533674,ZINC22_11817279	450.573	OXIOYPJCBMIFFY-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142907
COc1ccc(CNCc2n[nH]c3CCCc23)cc1OCC(O)CN(C)Cc1ccccc1	EMOLS-id_20676037,MCULE-7760237112,PC-id_45234703	450.573	OXIOYPJCBMIFFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142908
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_5443017,CHEMBL1438278,PC-id_2051006,MCULE-3582512542	450.575	PNQKENDTPBNCAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142909
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426291,MCULE-9120796325,CoCoCo_4972682,PC-id_5086226,ZINC22_9363805	450.575	UPMACXFWQUXCTM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142910
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C[S@](=O)C2	CoCoCo_4985581,PC-id_11863423,ZINC22_4257692	450.575	PNQKENDTPBNCAU-LJAQVGFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142911
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C[S@@](=O)C2	PC-id_40420560,CoCoCo_4985582,ZINC22_2456855	450.575	PNQKENDTPBNCAU-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142912
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1n[nH]c(=O)n1C1CCCCC1	ZINC22_8816121,PC-id_17233835,SPECS-id_AN-153/J102629,EMOLS-id_8315073,MCULE-6165472232	450.575	VBCMDBQADBWLRM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142913
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)CC)C(=O)OC	PC-id_19716186	450.575	RVSHHOSXMCALHY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-142914
c1(NC(=O)CSc2nc(C)c(c(=O)[nH]2)Cc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_322525808,MCULE-6566356821	450.576	ADZMDPVZDRXILK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142915
CCn1c(nnc1N1CCOCC1)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-2212024617,EMOLS-id_43974311,PC-id_24244312	450.578	QQVADBZTSDDEDL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142916
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1N1CCOCC1	CoCoCo_4181971,ZINC22_24987963,PC-id_32297244	450.578	QQVADBZTSDDEDL-LLVKDONJSA-N	00000010100010000001100010000000000000000000000000000000	25-01-142917
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1N1CCOCC1	PC-id_32297241,CoCoCo_4181972,ZINC22_24987960	450.578	QQVADBZTSDDEDL-NSHDSACASA-N	00000010100010000001100010000000000000000000000000000000	25-01-142918
s1c2c(CCC2)c(c1NC(=O)CN1CC(CCC1)CN(C)C(=O)OC(C)(C)C)C(=O)N	PC-id_56449151	450.595	GEINWUQKRQRDOW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142919
O=C(NC1C[NH+](CC1)Cc1ccccc1)CCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_74778859	450.596	WORYKARJQBKPCQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-142920
O=C(N[C@H]1C[NH+](CC1)Cc1ccccc1)CCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_42197579	450.596	WORYKARJQBKPCQ-OAQYLSRUSA-O	00000010100010110001000010000000000000000000000000000000	25-01-142921
O=C(N[C@@H]1C[NH+](CC1)Cc1ccccc1)CCC1CCN(CC1)C(=O)c1n[nH]c2c1CCC2	PC-id_42197581	450.596	WORYKARJQBKPCQ-NRFANRHFSA-O	00000010100010110001000010000000000000000000000000000000	25-01-142922
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)CCCc1ccccc1)C#N	PC-id_56281346	450.596	GBZPESCGLKCUHW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142923
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)c1sccc1	PC-id_24680383	450.598	BHDWVAJNEDAUMP-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-142924
N#Cc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882908	450.609	UZKJVMYAVKUPDC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-142925
CCCC1CC(OCC2=C(F)CCC=C2)CC(N1CCCn1nc2n(c1=O)CCS2)C	PC-id_143847883	450.613	MRYWMMNFBJJNOI-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-142926
c1(sc2CCCc2c1C#N)NC(=O)CS(=O)CC(=O)OC1CCC(CC1)C(C)(C)C	MCULE-7688715572,EMOLS-id_186588909	450.615	CLWBXMMIDMPEDX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142927
s1c2c(CCC2)c(c1NC(=S)NCCC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19650238	450.616	BSCBBEWTVZEEGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142928
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CCC1)CC(=O)NC(C)(C)C)C)C(=O)N	PC-id_30634550	450.618	FWCNBJGQFLVLRI-AWEZNQCLSA-O	00000010100000000101000010000000000000000000000000000000	25-01-142929
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CCC1)CC(=O)NC(C)(C)C)C)C(=O)N	PC-id_30634556	450.618	FWCNBJGQFLVLRI-CQSZACIVSA-O	00000010100000000101000010000000000000000000000000000000	25-01-142930
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CCC1)CC(=O)NC(C)(C)C)C)C(=O)N	PC-id_85473839	450.618	FWCNBJGQFLVLRI-UHFFFAOYSA-O	00000010100000000101000010000000000000000000000000000000	25-01-142931
Cc1nscc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL20348556,PC-id_135195426	450.621	FGAPBSYPNDZVPG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-142932
Cc1sc2c(n1)CN(C2)C(=O)CN(C(=NC(=C)c1ccc(c(c1)C)C)C1CCCCC1)C	PC-id_145588880	450.639	KHDUGJMHCIUKAF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142933
Cc1ccc(cc1)S(=O)(=O)N/N=C/1CCn2c1nc(c2Cl)I	PC-id_137412398,SCHEMBL20645794	450.682	LCJAMVYWYBXOQU-LICLKQGHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142934
Cc1ccc(cc1)S(=O)(=O)N/N=C
/CCn2c1nc(c2Cl)I	SCHEMBL20640753,PC-id_137408087	450.682	LCJAMVYWYBXOQU-YVLHZVERSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142935
Clc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24367180	450.893	AYXFRHIUVIUDGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142936
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC12CC(C1)(C2)C#N)C)Cl	PC-id_134599064,SCHEMBL20252965	450.917	KMLYOYQBCAAJCZ-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-142937
Cc1onc(c1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccccc1Cl	PC-id_92109417	450.917	KSPPZWNMKGOLGS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-142938
Clc1c([N+](=O)[O-])cc(C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_4505177	450.919	GJIFSQVPQDZULO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142939
Clc1nc2sccn2c1/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_45612681	450.919	CXFOVJCKSSQHPM-SNAWJCMRSA-N	00000010100000000001000110000000000000000000000000000000	25-01-142940
Clc1nc2sccn2c1C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_75121409	450.919	CXFOVJCKSSQHPM-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-142941
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_16384213,PC-id_6132249	450.919	GJIFSQVPQDZULO-FNORWQNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142942
Clc1c(cc(OCCCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1)C	PC-id_24330664	450.936	MOXFCHAUTYLNJI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142943
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)Cl)C2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_5531021,PC-id_16812402,ChEMBL-DNDi_CHEMBL1319862,MCULE-7453928661,CHEMBL1319862	450.939	RSQWZONJWPUXKB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142944
CC(C)(C)n1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CS(=O)(=O)C2	CoCoCo_5065660,PC-id_41106009,ZINC22_9517995	450.939	RSQWZONJWPUXKB-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142945
CC(C)(C)n1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CS(=O)(=O)C2	PC-id_41106008,CoCoCo_5065661,ZINC22_9517994	450.939	RSQWZONJWPUXKB-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142946
CCOC(=O)c1c(c2c(s1)[S+]=C(C2=NC=Nc1ccc(cc1)Cl)C(=O)OCC)N	PC-id_135891734	450.939	OFOOQDLWKXMUSE-UHFFFAOYSA-O	00000011100000110000000010000000000000000000000000000000	25-01-142947
Clc1ccc(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc1	PC-id_44053073	450.939	NFNVJSWHDIFNEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142948
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)c(OC)cc1	PC-id_44053157	450.939	NIYVIHWJIHELJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142949
COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9244618,CoCoCo_3587054,PC-id_16257043,EMOLS-id_3515961,MCULE-5903842712,CoCoCo_3587055	450.939	MKTMFTIZXSBBIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142950
CC1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(Cl)ncc1F)(C)C	SCHEMBL3327215,PC-id_87510526	450.941	DADOUFBFINRLFD-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-142951
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(Cl)ncc1F)(C)C	SCHEMBL3325467,PC-id_59333930	450.941	DADOUFBFINRLFD-NSHDSACASA-N	00000010100010100001000010000000000000000000000000000000	25-01-142952
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(F)ccc1	PC-id_46807609	450.957	NVNVLTRVPITLKF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-142953
Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)C1CCOCC1	BindingDB_PC-id_54592276,PC-id_54592276,BindingDB-id_154657	450.959	MHRSGDOERYEUQO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-142954
c1(NC(=O)CCCOc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388761,MCULE-7783733052	450.979	XMSSJBBEKSMSMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142955
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8058870811,EMOLS-id_334386449	450.979	CGRPRRIPXANTQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142956
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9121571700,EMOLS-id_334385690	450.979	ZWYDKKYJZVSLFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142957
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387480,MCULE-6240436939	450.979	BEPHBDAQNSZANT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142958
Clc1cc(C(=O)/N=c/2sc3c(n2CC2OCCC2)C(OC3(C)C)(C)C)c(OC)cc1	PC-id_77524134	450.979	XJXSFQRORKHBCZ-GFMRDNFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142959
Clc1cc(C(=O)/N=c/2sc3c(n2C[C@@H]2OCCC2)C(OC3(C)C)(C)C)c(OC)cc1	PC-id_68622517,SCHEMBL3385151	450.979	XJXSFQRORKHBCZ-ITCYTGBBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142960
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1223776961	450.98	HVSADZIRJWUWGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142961
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4295946992	450.98	ILPXZNGQFPYPID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142962
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9004706534	450.98	VCEMPKLJPVXZJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142963
Clc1ccccc1/C=C/C(=O)Nc1sc2CCCc2c1C(=O)NCCc1ccccc1	EMOLS-id_334330277	450.98	HVSADZIRJWUWGL-BUHFOSPRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142964
Clc1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)c1	EMOLS-id_334331812	450.98	VCEMPKLJPVXZJP-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142965
Clc1ccc(/C=CC(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334329253	450.98	ILPXZNGQFPYPID-KAMYIIQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142966
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)C#N	PC-id_87056442	450.984	MOUPODSJAPXBFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142967
CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)C#N)nc12	BindingDB_PC-id_87056442,BindingDB-id_722813,SCHEMBL16224760	450.984	MOUPODSJAPXBFO-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142968
CC(C)(C#N)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1ccc(cc1)Cl	PC-id_134170745,SCHEMBL19771912	450.984	XTPKTDHXRIWGOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142969
BrC(c1sc2c(CCC2)c1)c1c(Br)ccc(Br)c1	PC-id_63437979	451.014	DYTRTHGZSWFICQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142970
CC1(c2c(C(O1)(C)C)sc(=NC(=S)c1c(ccc(c1)Cl)OC)n2CC1CCC1)C	PC-id_87179401,SCHEMBL944096	451.045	YOORUBHWURVJJM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-142971
COc1ccc(cc1C(=S)/N=c/1sc2c(n1CC1CCC1)C(OC2(C)C)(C)C)Cl	SCHEMBL944093	451.045	YOORUBHWURVJJM-GFMRDNFCSA-N	00001010100000110001000010000000000000000000000000000000	25-01-142972
CC(C)(C)OC(=O)N1CC2=CN(N=C2C1)S(=O)(=O)C3=CC=C(S3)CCC(F)(F)F	PC-id_164872138	451.085	WIACMBKUYSWIII-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-142973
CC1=C(N2CCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278675	451.099	LXTFPMXSKHHJQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142974
C1C[C@H](C(C1)NC(=O)C(=O)c1c(c(c2n1CCC2)C(=O)Nc1cc(c(cc1)F)F)Cl)O	PC-id_163925117	451.111	RDTZFHHWXYVSBM-AWKYBWMHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142975
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=CN(N=C4)CCF	PC-id_164872061	451.113	QJKQLFGMGHHIKA-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142976
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=CN(N=C4)CCF	PC-id_164872088	451.113	QJKQLFGMGHHIKA-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142977
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CN(C=N4)CC(F)F	PC-id_164872184	451.113	ONNZFWRKAZFFGM-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142978
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164872034	451.113	YEAUUDWKBHJVHU-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142979
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931893	451.113	YEAUUDWKBHJVHU-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142980
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931990	451.113	WSJNMMXRPFQYDC-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142981
CC1=CN(N=C1SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4F)CC(F)F	PC-id_164872262	451.129	QQKJBBMMSFQYKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-142982
Brc1cc(c(s1)Br)C(=O)Nc1sc2c(c1C(=O)O)CCC2	PC-id_107948984	451.153	UXELJJYPLHGGQQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142983
Brc1cc(sc1Br)C(=O)Nc1sc2c(CCC2)c1C(=O)O	PC-id_43359874	451.153	XBWUMSHLQZUEQX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-142984
CCCCCCCCC(=O)N1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_102105276	451.173	SRDAPWIFONDYEG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-142985
CC1(CCC(CC1)C(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)O)Cl	PC-id_164993634	451.176	HFPVNMATZBDIQS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-142986
CC1=CC(=NC=N1)N2CCC(C2)C(C=C)NC3=NN4CC[C@H](C4=N3)OC5=CC(=CC=C5)Cl	PC-id_154938116	451.189	VBVKGGRSHCLTJD-RRWXTXHCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142987
Brc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)cc(Br)cc1	PC-id_61208979	451.197	SEWUFBHEFHUKRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142988
Brc1c(S(=O)(=O)NCc2sc3c(CCC3)c2)ccc(Br)c1	PC-id_61209156	451.197	KPCGREMXPSINLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-142989
Brc1sc(Br)c2C(=O)N(CCC(CCCC(C)C)C)C(=O)c12	SCHEMBL1498250,PC-id_58401218	451.216	CQAAQHZSZYVFKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-142990
CCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_117974803,SCHEMBL16594677	451.216	INQNRTKYRYGXOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-142991
CCCCCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)CC	SCHEMBL17146461,PC-id_118422569	451.216	UUZHXEXENZZNAE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-142992
CN=CC(=CN)N1C(=C2CCCC2=N1)NC(=O)NC3CN(CC3C4=CC=CC=C4)CCOC	PC-id_154010993	451.27	BKKBZCIIGLHKAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142993
Brc1ccc(o1)C(=O)Nc1c2CSCc2nn1CC(=O)NCc1ccco1	CoCoCo_5277701,ZINC22_23139322,PC-id_30862593,MCULE-9463769298,EMOLS-id_24913429	451.294	JJQCRZQVOAJYNE-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-142994
Brc1sc(Br)c2CN(CCCCCCCCCCCC)Cc12	PC-id_86003750	451.303	ZIWZKPJWSDOVMT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-142995
c1(NC(=O)c2ccc(COc3ccc(cc3Cl)Cl)o2)sc2c(CCC2)c1C(=O)N	TIMTEC362034,CoCoCo_5829271,MCULE-1625507964,EMOLS-id_5126878,PC-id_1223859,ZINC22_999913	451.323	OPNUZZCDICDJQN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-142996
c1(NC(=O)c2c(C)onc2c2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2388539,MCULE-3593985041,ZINC22_997670,TIMTEC363324,SPECS-id_AK-968/12265143,CoCoCo_739789,PC-id_1222094	451.323	ORABFULGLPKZLO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-142997
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)ccc(Cl)c1	PC-id_44053283	451.326	GFHLTCJQQUCIBH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-142998
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc(Cl)cc1	PC-id_44053284	451.326	OLVIRVSZGNSAQW-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-142999
O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cn2c(n1)CCC2	ZINC22_1558906302	451.326	VEJFQBQSWMWYGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143000
Brc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(OC)c1OC	PC-id_19202129	451.334	HKCDCOZGDFQRDM-VOTSOKGWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143001
Brc1cc(c(NC(=O)CNC(=O)COC(=O)c2sc3CCCc3c2)cc1)C	PC-id_16505575	451.334	OYBJHVRSIQDLSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143002
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OC)sc2c(CCC2)c1C(=O)N	MCULE-2793742192,PC-id_73568431	451.334	HKCDCOZGDFQRDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143003
[O-][N+](=O)Cc1cn2c(n1)OC(C2)(C)COc1ncc(cn1)c1ccc(cc1)OC(F)(F)F	PC-id_144131296	451.356	HSBKXNBIUKXJPL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143004
Brc1ccc(cc1)C(=O)CS(=O)CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_320675949,MCULE-6978300738	451.357	MOFCQKDPFVZXAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143005
FC(C(Oc1ccc(cc1)CNC(=O)c1n(C)nc2c1CCC2C)(F)F)OC(F)(F)F	SCHEMBL9410418	451.363	AEFVHZGLEJGGSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143006
c1(NC(=O)Cc2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4661193603,EMOLS-id_334386971	451.377	HECSKGCJLZTAPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143007
c1(NC(=O)CCCOc2ccc(cc2Br)CC)sc2c(CCC2)c1C(=O)N	PC-id_19202132,MCULE-1097011456	451.377	UEYFXONYPYYLRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143008
c1(NC(=O)COc2cc(C)c(cc2C(C)C)Br)sc2c(CCC2)c1C(=O)N	PC-id_19202137,MCULE-6576735362	451.377	OLFNOSNKTCNUJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143009
CCOC(=O)c1c(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2CCCc12	EMOLS-id_327933562,MCULE-1274033343	451.383	MZGMKJJFEXZYLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143010
Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]CC(C)C)sc2c1CCC2	GD-id_ZINC08430041,PC-id_9536221	451.4	HLNUPVDZPBAIPL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-143011
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH2+]C(C)C)cc1	GD-id_ZINC15946931,PC-id_26875572	451.4	HLQGMACJLJGZGS-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-143012
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH2+]CCC)cc1	PC-id_26875571	451.4	BTJXVTJTQCVOLO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-143013
c1(C(F)(F)F)cc(n(CC(C)C(=O)NCCCn2nc3CCCc3c2C(F)(F)F)n1)C	TIMTEC339087,PC-id_19614101,EMOLS-id_8868216,MCULE-7983585455	451.409	NPZKELAAULFSDD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143014
Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2	ZINC22_36614321,PC-id_51853346	451.409	NPZKELAAULFSDD-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143015
Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2	ZINC22_36614322,PC-id_51853347	451.409	NPZKELAAULFSDD-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-143016
CCC(C(=O)NCC(C)Cn1ccc(n1)C(F)(F)F)n1nc(c2CCCc12)C(F)(F)F	MCULE-4483878599,TIMTEC461135,PC-id_19590921,EMOLS-id_8867329	451.409	SWEFHRFCHPMYMG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143017
CC[C@@H](C(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092499,ZINC22_20607592	451.409	SWEFHRFCHPMYMG-YPMHNXCESA-N	00000010100000000001000010000000000000000000000000000000	25-01-143018
CC[C@H](C(=O)NC[C@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092502,ZINC22_20607595	451.409	SWEFHRFCHPMYMG-WCQYABFASA-N	00000010100000000001000010000000000000000000000000000000	25-01-143019
CC[C@H](C(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607593,PC-id_29092500	451.409	SWEFHRFCHPMYMG-DGCLKSJQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143020
CC[C@@H](C(=O)NC[C@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607594,PC-id_29092501	451.409	SWEFHRFCHPMYMG-AAEUAGOBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143021
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COc1ccc(cc1)c1ccc(cc1)OC(F)(F)F	PC-id_137649432	451.419	MFDANUGWANIOOJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143022
COC(=O)c1c(NC(=O)Cn2nnc(c3cccc(C(F)(F)F)c3)n2)sc2c1CCC2	CoCoCo_2984008,MCULE-8160937677,PC-id_2385474,ZINC22_3269128,EMOLS-id_3066401	451.422	QVCDFILIXYUIHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143023
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccnc1F	SCHEMBL1371557,PC-id_67009116	451.422	WCDPWIHOZPIRAC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-143024
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCNCC1CC=Cc1ccc(cc1)C(F)(F)F	PC-id_91219261	451.442	DZXOGOGKANOATN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143025
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)CC=Cc1ccc(cc1)C(F)(F)F	PC-id_91254214	451.442	CJSGUYAIFJGCRS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143026
CC=CC1C(N(CCN1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1ccc(cc1)C(F)(F)F	PC-id_87063417,SCHEMBL57928	451.442	PWZGGOASMIQTCF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143027
CC=C[C@@H]1NCCN(C1c1ccc(cc1)C(F)(F)F)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_66589296,SCHEMBL57930	451.442	PWZGGOASMIQTCF-VQSBYGRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143028
C=CCN1CCN(C(C1)c1ccc(cc1)C(F)(F)F)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL57929,PC-id_66589295	451.442	LVHWGUJCIRKNSU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143029
FC(F)(F)c1ccc(C=CCC2N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCNC2)cc1	PC-id_66589293,SCHEMBL57927	451.442	DZXOGOGKANOATN-OZBJMMHXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143030
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNC(=O)c1c(F)cc(F)cc1)C(=O)N	PC-id_30316785	451.444	PIBYAKMZGGIWDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143031
Cc1cc(c(cc1)F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nn1)C	PC-id_134599042,SCHEMBL20252943	451.454	BVJRJKLQZYIVLU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143032
CN1CC(C1)Cn1nc2c(c1)CN(C2)C(=O)Nc1nc(ccc1[N+](=O)[O-])c1ccc(cc1)F	SCHEMBL18380047	451.454	LLHUPMRWBBSRCH-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-143033
C[C@@](CCN1Cc2cc(C#CC#C[C@H]3C[C@]3(F)CO)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18729925,CHEMBL4460047	451.469	LFIRWIMLICSGAH-BEVDRBHNSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143034
OC[C@H]1C[C@]1(F)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729830	451.469	YLQSRCBZYJZUBK-CDHQVMDDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143035
OC[C@H]1C[C@]1(F)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729900	451.469	YLQSRCBZYJZUBK-CSKFVBRQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143036
OC[C@@H]1C[C@@]1(F)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18730067	451.469	YLQSRCBZYJZUBK-BEVDRBHNSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143037
OC[C@@H]1C[C@@]1(F)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18730068	451.469	YLQSRCBZYJZUBK-VBSNWNEZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143038
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@H]1C[C@]1(F)CO)C	SCHEMBL18729926	451.469	LFIRWIMLICSGAH-VBSNWNEZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143039
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@@H]1C[C@@]1(F)CO)C	SCHEMBL18730049	451.469	LFIRWIMLICSGAH-CDHQVMDDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143040
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@@H]1C[C@@]1(F)CO)C	SCHEMBL18730050	451.469	LFIRWIMLICSGAH-CSKFVBRQSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143041
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OC(=O)C	EMOLS-id_46370300,ZINC22_27023186	451.47	NKUSELGLOMEUDK-KZBAPLJJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143042
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)F	MCULE-1123209164	451.47	NKUSELGLOMEUDK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143043
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)F)sc2c(CCC2)c1C#N	EMOLS-id_321901308,MCULE-3782838576	451.473	QTDPKJMPISWZOT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143044
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2F)sc2c(CCC2)c1C#N	MCULE-6696625217,EMOLS-id_321904635	451.473	SQYNRTPDCIQTIR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143045
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(F)c2)sc2c(CCC2)c1C#N	EMOLS-id_321902332,MCULE-6705936757	451.473	KJIJXMMTIQLIJM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143046
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1occc1)C(=O)OCC	PC-id_4604777	451.473	PTVPHLIENNRCDA-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-143047
O=C(c1ccc(cc1)c1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)NC(=O)c1ccccc1	SCHEMBL2921859,PC-id_68441744	451.477	LIXPNCFGYBYHEO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143048
CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1ccc(c(c1F)F)F	GD-id_ZINC02650971,PC-id_2114230	451.485	LKOVNOZZWXCQIY-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-143049
CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_2115728,GD-id_ZINC02652386	451.485	SZPWRVZZKFVANA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-143050
COc1c(cc(cc1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OCc1ccccc1	PC-id_89617306,SCHEMBL15015417	451.492	ZPHKUQJKJGHTSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143051
COc1c(ccc(c1)C(CC(=O)OC)N1C(=O)c2cscc2C1=O)OCc1ccccc1	PC-id_89617316,SCHEMBL15015430	451.492	XTROWJLVXNSMGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143052
CNCC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_66941839,SCHEMBL1206495	451.493	XFAOCMCXCNYQSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143053
CNC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_51356441,SCHEMBL1206490	451.493	XFAOCMCXCNYQSF-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143054
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)c(OC)cc(c1)/C=C/C(=O)[O-]	PC-id_26949443	451.493	UZGZXCBSIXYWJM-VOTSOKGWSA-M	00000010100000110000000010000000000000000000000000000000	25-01-143055
s1c2CCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)c(OC)cc(c1)C=CC(=O)[O-]	PC-id_74515817	451.493	UZGZXCBSIXYWJM-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-143056
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN1C(=O)C(NC1=O)(CC)CC)C(=O)OC	PC-id_45649021	451.493	MTQXXUUZEPCHLW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143057
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccc(cc1)OCC	ZINC22_1081040,PC-id_1268011,MCULE-3205044214,BAS-00486949,CoCoCo_81805,EMOLS-id_1231075	451.495	OBHMSSHUIITDTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143058
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1	PC-id_89236412,SCHEMBL14054814	451.495	UIWWWSWMNRRYRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143059
COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1cc(OC)c(c(c1)OC)OC)/c2=O	EMOLS-id_206990843,ZINC22_9210352,STOCK4S-82435	451.495	RZGJSOCXMJGUDX-FWANDEGBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143060
COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)c(OC)c1	ZINC22_16742154,EMOLS-id_45965723	451.495	IGBMYOWVQDXHOB-HUOQGUMYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143061
COc1ccc(/C=c/sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)c(OC)c1	ZINC22_95951257	451.495	IGBMYOWVQDXHOB-UPINRHINSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143062
COc1ccc(/C=C/c2nc3s/c(=Cc4cccc(OC)c4OC)/c(=O)n3n2)cc1OC	ZINC22_16742150,EMOLS-id_45965715	451.495	NOCLVGQYJSAKSG-YOAWELAASA-N	00000000100000110001000010000000000000000000000000000000	25-01-143063
COc1ccc(/C=C/c2nc3s/c(=C/c4cc(OC)c(OC)c(OC)c4)/c(=O)n3n2)cc1	ZINC22_95959950	451.495	RZGJSOCXMJGUDX-CIOYMBLNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143064
n12nc(nc1sc(=Cc1ccc(cc1OC)OC)c2=O)C=Cc1ccc(c(OC)c1)OC	EMOLS-id_26565857,MCULE-8712284513	451.495	IGBMYOWVQDXHOB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143065
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4155906718	451.495	XEJJDERPIZBIQX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143066
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6624124798,EMOLS-id_26565849	451.495	NOCLVGQYJSAKSG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143067
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-5593494402	451.495	AUCBIKDLEJSFLR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143068
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)C=Cc1ccc(cc1)OC	MCULE-1684964217,EMOLS-id_26351198	451.495	RZGJSOCXMJGUDX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143069
s1c2c(CCC2)c(c1NC(=O)COc1c(Cc2ccccc2)cc([N+](=O)[O-])cc1)C(=O)N	PC-id_38993115	451.495	MYYJEFLCIIHRBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143070
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1)F	SCHEMBL3505030,PC-id_68668915	451.497	FNSRQNBJNIRWKC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143072
CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1	PC-id_59474186,BindingDB_PC-id_59474186,BindingDB-id_218927,SCHEMBL1940850	451.497	FNSRQNBJNIRWKC-WMLDXEAASA-N	00100010100000110001100010000000000000000000000000000000	25-01-143073
Fc1c(Nc2n[nH]c3C(N(C(=O)N[C@@H]4[C@H](C4)c4ccccc4)Cc23)(C)C)nc(OCC)nc1	PC-id_11619342	451.497	FNSRQNBJNIRWKC-PBHICJAKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143074
c1(NC(=O)COc2nonc2CC(=O)Nc2ccccc2CC)sc2CCCc2c1C#N	EMOLS-id_333651346,MCULE-9936426717	451.498	PQTYUVNVIYSHFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143075
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)CC)sc2CCCc2c1C#N	MCULE-1198447238,EMOLS-id_333651344	451.498	UQHSFXDLNBHBQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143076
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(C)c2C)sc2CCCc2c1C#N	EMOLS-id_333648019,MCULE-7036745900	451.498	TXKBZMIWXNGULC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143077
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(C)cc2C)sc2CCCc2c1C#N	EMOLS-id_333648275,MCULE-4364652745	451.498	ONLJOEMOUGOFDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143078
c1(NC(=O)COc2nonc2CC(=O)Nc2cc(C)ccc2C)sc2CCCc2c1C#N	MCULE-8536715931,EMOLS-id_333648787	451.498	AAJBQARXOJFMMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143079
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(C)c(C)c2)sc2CCCc2c1C#N	EMOLS-id_333647519,MCULE-8190639683	451.498	CEPGXGWJAHGYNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143080
c1(NC(=O)COc2nonc2CC(=O)Nc2cc(C)cc(C)c2)sc2CCCc2c1C#N	MCULE-8061512737,EMOLS-id_333649296	451.498	PATVIBSPKQLQAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143081
c1(NC(=O)COc2nonc2CC(=O)NCc2ccccc2C)sc2CCCc2c1C#N	MCULE-1460766402,EMOLS-id_333686352	451.498	IDDXUNPJAXZMRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143082
c1(NC(=O)COc2nonc2CC(=O)NCc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-6940802285,EMOLS-id_333686866	451.498	ZCSHMJDBHKFARB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143083
c1(NC(=O)COc2nonc2CC(=O)NCc2cccc(C)c2)sc2CCCc2c1C#N	MCULE-7688227087,EMOLS-id_333685840	451.498	XCLQSXHJSIGEBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143084
c1(NC(=O)COc2nonc2CC(=O)NCCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333681759,MCULE-1581847077	451.498	INCHPMMBRIMFDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143085
c1(NC(=O)COc2nonc2CC(=O)N(C)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333688872,MCULE-4406240901	451.498	BNYZIWWVOACEAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143086
c1(NC(=O)COc2nonc2C(=O)Nc2ccccc2C(C)C)sc2CCCc2c1C#N	MCULE-8113711141,EMOLS-id_333678072	451.498	HUZQXWWSIOAULH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143087
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(C(C)C)cc2)sc2CCCc2c1C#N	EMOLS-id_333680372,MCULE-9658841890	451.498	WAKUITNZMVQJLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143088
c1(NC(=O)COc2nonc2C(=O)NCCc2ccc(C)cc2)sc2CCCc2c1C#N	EMOLS-id_333717307,MCULE-9708869704	451.498	CGWWLCGICKPLLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143089
O=C(Nc1n[nH]c2c1CN(C2)C(=O)Cc1cccs1)Cc1ccc(cc1)N1CCOC1=O	PC-id_68438845,SCHEMBL2913673	451.498	XPSXVXCLWUFVIP-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-143090
S1Cc2c(nn(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053843	451.498	QMGAQHQPVSBQPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143091
S1Cc2c(nn(c2NC(=O)c2c(c([N+](=O)[O-])ccc2)C)CC(=O)NCc2ccccc2)C1	PC-id_44053419	451.498	HFJTUJOCLDCKHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143092
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])c(cc2)C)CC(=O)NCc2ccccc2)C1	PC-id_44053420	451.498	QUIVLCOPKIZFTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143093
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])ccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053842	451.498	BMBXDWMGZCFAAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143094
S1Cc2c(nn(c2NC(=O)c2c([N+](=O)[O-])cccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053841	451.498	HRBJJWGAFHLYGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143095
S1Cc2c(nn(c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053441	451.498	BRSDJURVUHGXAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143096
s1c2c(CCC2)c(c1Nc1nc(NCC(OCC)OCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127551	451.5	FQGJHRIZFCYEFZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-143097
c1(NC(=O)COc2cccnc2NC(=O)NCCc2c[nH]cn2)sc2c(CCC2)c1C#N	MCULE-2982337351,EMOLS-id_321872508	451.502	ULDRZOJAEZPLDG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-143098
c1(NC(=O)COc2cn(c(cc2=O)C)CCc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-3939155027,EMOLS-id_331630275	451.513	BFVHTROLOHOANL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143099
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-5359636842	451.513	LAWUPPNKEANBGB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143100
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)C=Cc1ccc(cc1)F	MCULE-9118179317	451.513	QPAMXPSOTUTZRE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143101
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-1761046788	451.513	FBLVKUOZTWVPDV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143102
s1c2CCCc2cc1C(=O)OCC(=O)Nc1n(c(c(c1C#N)C)C)Cc1ccc(F)cc1	PC-id_24521121	451.513	SCLUBPJUGXAFSA-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-143103
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(ccc(S(=O)(=O)C)c1)C)C(=O)OC	PC-id_41424081	451.513	ZVBQFXUAWYQJDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143104
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CS(=O)(=O)C)cc1)C(=O)OC	PC-id_41238397	451.513	RQKZCTIEQMOHKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143105
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)C)cc1)C(=O)OCC	PC-id_2670520	451.513	SVSAKYLPPGEOHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143106
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)C)ccc1)C(=O)OCC	PC-id_2528278	451.513	DVTQPXZFHQXEER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143107
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(S(=O)(=O)C)cccc1)C(=O)OCC	PC-id_24342211	451.513	HEJDPVASKFWSBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143108
s1c2c(CCC2)c(c1NC(=O)c1ccc(OCCOc2ccccc2)cc1)C(=O)OCC	PC-id_4952709	451.535	YFKPPBZWEOQDBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143128
c1(C(=O)N(CC2CCCO2)Cc2ccc(c(OCc3ccco3)c2)OC)c2CCCc2[nH]n1	EMOLS-id_32384648,PC-id_45197620,MCULE-5032949403	451.515	HKQHEHJQFKUCHN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-143109
COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2CCC3)cc1OCc1ccco1	CoCoCo_1297627,CoCoCo_1297629,ZINC22_11911635	451.515	HKQHEHJQFKUCHN-SFHVURJKSA-N	00000010101000110001000010000000000000000000000000000000	25-01-143110
COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2CCC3)cc1OCc1ccco1	ZINC22_11911636,CoCoCo_1297628,CoCoCo_1297630	451.515	HKQHEHJQFKUCHN-GOSISDBHSA-N	00000010101000110001000010000000000000000000000000000000	25-01-143111
COc1c(OC)cc(cc1OC)/C=C/C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_117054878	451.515	FPTSYCQDUDDREA-ZHACJKMWSA-N	00000010101000110001000010000000000000000000000000000000	25-01-143112
COc1c(OC)cc(cc1OC)C=CC(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109382	451.515	FPTSYCQDUDDREA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-143113
CCOC(=O)n1nc2c(c1NC(=O)C1OCCN(C1)C)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1206301,PC-id_58015682	451.517	NREJOZKYJCQBNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143114
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(ccc(S(=O)(=O)N)c1)C)C)C(=O)N	PC-id_43015295	451.517	BFFKZPVTCGWSOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143115
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N	PC-id_3935246	451.517	AJNIDUTWWLZRNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143116
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1)C(=O)N	PC-id_3382097	451.517	RDTSRZNKHSQRIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143117
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(cc1)C)C(=O)N	PC-id_3953991	451.517	VIDJPNYVFVUEBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143118
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCC2)c1)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_26309942	451.517	AJXJVSARGYLLCG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143119
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncn(c1)C)C	PC-id_66941864,SCHEMBL1206602	451.521	COPMECBIZUARIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143120
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncn(c1)C)C	PC-id_58015714,SCHEMBL13602605,SCHEMBL1206599	451.521	COPMECBIZUARIL-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143121
c1(C(=O)OCC)c2CCCc2sc1NCc1cc(OC)ccc1OC(=O)c1ccccc1	ZINC22_2279494,PC-id_1903762,MCULE-8441853191,STOCK1S-70379,CoCoCo_1721517,EMOLS-id_4404050	451.535	ZTCKHWXRMBUFRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143122
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	EMOLS-id_31746073,PC-id_41825839,MCULE-8309169766,ZINC22_11116859	451.535	KJYLXBQQKZFSJL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143123
COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(Cc2c(C1)ccs2)C(=O)O	SCHEMBL1561250,PC-id_67076591	451.535	CPQSRBNEIKZYEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143124
COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(Cc2c(C1)csc2)C(=O)O	PC-id_67076433,SCHEMBL1560794	451.535	GZWUUVWKNRSAAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143125
s1c2CCCc2cc1C(=O)OCC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1	PC-id_24469696	451.535	MXBJESCFIWNYAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143126
s1c2CC(Cc2cc1)C(=O)ONC(=O)c1cc(OCCc2cc(ccc2)C)c(OC)cc1	PC-id_44482143	451.535	ODNYWABZBJJMBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143127
s1c2c(CCC2)c(c1NC(=O)c1cc(OCCOc2ccccc2)ccc1)C(=O)OCC	PC-id_4954937	451.535	WTTRRUYTGDBYQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143129
s1c2c(CCC2)c(c1NC(=O)c1c(OCCOc2ccccc2)cccc1)C(=O)OCC	PC-id_4954304	451.535	HBCFEOJBMOLRHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143130
s1cc2CC(Cc2c1)C(=O)ONC(=O)c1cc(OCCc2cc(ccc2)C)c(OC)cc1	PC-id_44482142	451.535	RWZRXARIZYSYAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143131
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(F)cc1	PC-id_16861565	451.535	BWFHOXIUQXVQSG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143132
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1ccc(F)cc1	PC-id_27684283	451.535	GTRCFSMQVWQQIF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143133
S(=O)(=O)(N1CC(CCC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1ccc(F)cc1	PC-id_46529172	451.535	QCKFMGXMIKMAFC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143134
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NCCOC	PC-id_45663362	451.536	NYSXNWVMHPPXEX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-143135
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCCN(C1)C(=O)OC(C)(C)C)C(=O)N	PC-id_55443277	451.536	NPYJIUCDQYEWCY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-143136
c1(NC(=O)c2cc(on2)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	TIMTEC489593,MCULE-8659202206,EMOLS-id_10105268,PC-id_17012584	451.538	UVVVOJKCONJHNW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143137
c1(NC(=O)CCc2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336175,MCULE-9901411381	451.538	IUSFCVKDZLGPDN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143138
c1(NC(=O)C(C)Oc2ccccc2OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-9501240556,EMOLS-id_2529445,SPECS-id_AF-399/43270589,PC-id_2989127,TIMTEC254451	451.538	JZNDWIBXJCCFEZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143139
Cc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)no2)cc1	PC-id_35042489,CoCoCo_6329822,ZINC22_27662849	451.538	UVVVOJKCONJHNW-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143140
Cc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)no2)cc1	ZINC22_27662847,CoCoCo_6329821,PC-id_35042487	451.538	UVVVOJKCONJHNW-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143141
CCCOc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324851961	451.538	LNKODGJWKHAQOU-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143142
CCCOc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324850416	451.538	DJJGEPRFCYYYDD-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143143
CCCOc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1OC	EMOLS-id_324871179	451.538	OYRHMBWKOMJJOM-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143144
CCCOc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1OC	EMOLS-id_324877325	451.538	LXOXXGOCVGVMDH-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143145
CCCOc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1OC	EMOLS-id_324883456	451.538	BMEGLHURUWRLBS-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143146
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1OCC	EMOLS-id_324868616	451.538	BGLMSYCLPFWCBR-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-143147
CCCOc1ccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)cc1OC	EMOLS-id_324886540	451.538	PQJGOXOWDJBKBU-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-143148
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)cc1OC	EMOLS-id_324889602	451.538	ZTHVZQRKAWEZTI-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-143149
CCCOc1cccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)c1	EMOLS-id_324892174	451.538	NWIDIFLLILCAHZ-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143150
CCCOc1cccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)c1	EMOLS-id_324892677	451.538	MBQAUCBLJNKXEC-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143151
CCOc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324850937	451.538	HCYHCBCGJMVZDS-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143152
CCOc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1OCC	EMOLS-id_324870155	451.538	LHQUPQWMXFPOJW-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143153
CCOc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1OCC	EMOLS-id_324876301	451.538	LLJRHESQXMSCDB-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143154
CCOc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1OCC	EMOLS-id_324882432	451.538	QOFHLLNABQIPJD-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143155
CCOc1ccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)cc1OCC	EMOLS-id_324888578	451.538	UPEXMHDPKBKWMC-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-143156
CCOc1ccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)cc1OCC	EMOLS-id_324889611	451.538	AKVXQJMFXAQUNU-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-143157
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)N	MCULE-1945131617,EMOLS-id_328222847	451.538	PNKHLIHBKKSFFH-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-143158
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2cccc(C)c2C)sc2CCCc12	EMOLS-id_328265688,MCULE-7818788051	451.538	FPHPJVXMHFIIMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143159
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2ccc(C)cc2C)sc2CCCc12	MCULE-2441439409,EMOLS-id_328260589	451.538	GSNPXLJNQBUYJK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143160
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2cc(C)cc(C)c2)sc2CCCc12	MCULE-3467316397,EMOLS-id_328247008	451.538	QRMCLUTWCPWTPJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143161
COc1ccccc1O[C@H](C)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2	CoCoCo_1020080,PC-id_40841960,ZINC22_8846289	451.538	JZNDWIBXJCCFEZ-OAHLLOKOSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143162
COc1ccccc1O[C@@H](C)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2	ZINC22_8846288,CoCoCo_1020081,PC-id_40841959	451.538	JZNDWIBXJCCFEZ-HNNXBMFYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143163
COc1ccc(CCc2nc3s/c(=Cc4cccc(OC(C)C)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324893198	451.538	ZNQAZCGJKFPRTJ-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-143164
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(OC(C)C)c4)/c(=O)n3n2)cc1	EMOLS-id_324893701	451.538	UJXQHLJNUXCORR-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143165
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-2110507086	451.538	NWIDIFLLILCAHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143166
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9308769631	451.538	ZNQAZCGJKFPRTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143167
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-4914735215	451.538	UJXQHLJNUXCORR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143168
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-7987783387	451.538	MBQAUCBLJNKXEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143169
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)CCCOc1ccccc1	MCULE-5357637116	451.538	LNKODGJWKHAQOU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143170
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1ccc(cc1)CC	MCULE-2068464831	451.538	ZTHVZQRKAWEZTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143171
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1c(C)cccc1C	MCULE-2250184785	451.538	OYRHMBWKOMJJOM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143172
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1cc(C)ccc1C	MCULE-4666099929	451.538	BMEGLHURUWRLBS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143173
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1cccc(C)c1C	MCULE-6864448595	451.538	LXOXXGOCVGVMDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143174
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1cccc(CC)c1	MCULE-3479547297	451.538	PQJGOXOWDJBKBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143175
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)CCOc1ccccc1	MCULE-8081609347	451.538	DJJGEPRFCYYYDD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143176
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1ccc(cc1)C	MCULE-7990900748	451.538	BGLMSYCLPFWCBR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143177
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)CCCOc1ccccc1	MCULE-4958987621	451.538	HCYHCBCGJMVZDS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143178
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1ccc(cc1)CC	MCULE-4999789020	451.538	UPEXMHDPKBKWMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143179
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1cc(C)ccc1C	MCULE-2783755612	451.538	QOFHLLNABQIPJD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143180
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1cccc(C)c1C	MCULE-6645917318	451.538	LLJRHESQXMSCDB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143181
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1c(C)cccc1C	MCULE-9594116963	451.538	LHQUPQWMXFPOJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143182
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1cccc(CC)c1	MCULE-7307909646	451.538	AKVXQJMFXAQUNU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143183
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(c(c1)C)Cc1ccccc1)C)C(=O)N	PC-id_46819177	451.538	NANNQQMZIRJWTL-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-143184
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCc1cc(OC)c(OC)cc1	PC-id_16947068	451.538	MOXTXAGPSVCLOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143185
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCc1ccc(OC)cc1	PC-id_16947863	451.538	RMAQNUYKNIQJRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143186
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCc1cc(OC)ccc1	PC-id_16947937	451.538	UMHRBJIEBQXBHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143187
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCc1c(OC)cccc1	PC-id_16947861	451.538	XYMUEJWCVROTPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143188
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(cc1)CC	PC-id_16948034	451.538	MDKQYIRTGHPCSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143189
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(c(ccc1)C)C	PC-id_16948061	451.538	RDFTWVGVJIDDMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143190
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(cc(cc1)C)C	PC-id_16948062	451.538	AENUIAOMCWTUFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143191
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(ccc(c1)C)C	PC-id_16948063	451.538	REENMLZNNXZSTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143192
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(c(cc1)C)C	PC-id_16948064	451.538	BOQFUVKZSYGOMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143193
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(cccc1C)C	PC-id_16948065	451.538	VEVZZGWXFJVYGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143194
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(cc(c1)C)C	PC-id_16948066	451.538	YOTWZAPVNCKRRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143195
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(CC)cccc1	PC-id_16948033	451.538	XIBPUFDQHURYAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143196
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1ccc(cc1)C	PC-id_16948011	451.538	ZRXZMDGDNNIYDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143197
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC(c1ccccc1)C	PC-id_16948013	451.538	MDJMKMGHFBATHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143198
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCc1ccccc1	PC-id_16948019	451.538	WEZADNIEGFEYTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143199
Cc1ccc(/C=C/c2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_324920833	451.54	OAWXCVNIYCMLKJ-FGYBALHCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143200
Cc1ccc(/C=C/c2nc3s/c(=Cc4ccc(OCc5ccccc5)cc4)/c(=O)n3n2)cc1	EMOLS-id_45975634,ZINC22_26842430	451.54	LPDNJRBVVAWYIA-WDALZOHFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143201
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)C	MCULE-3155196567	451.54	OAWXCVNIYCMLKJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143202
n12nc(nc1sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)C	MCULE-7214634904	451.54	LPDNJRBVVAWYIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143203
Cc1c(sc2c1COC2=O)CCN1CCN(CC1)C(=O)Cc1ccc(cc1)n1ccnn1	PC-id_89757649,SCHEMBL15196860	451.541	ICEBZXULBHWKPU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143204
O=C(c1ccc(cc1)N1CCCCC1)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4285654,PC-id_68986998	451.541	UEVKPQZBLDDZIG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143205
O=C(c1ccc(cc1)N1CCCCC1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL4285648,PC-id_24751882	451.541	YVCMFFCAXPJVHU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143206
O=C(Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1)Cc1ccc(cc1)N1CCCC1	SCHEMBL2915055,PC-id_68439459	451.541	GNNWWWRVEFAOKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143207
c1(NC(=O)c2cccc(c2)Nc2cc(c3ccccc3)nc(C)n2)sc2c(CCC2)c1C#N	MCULE-9754568258,EMOLS-id_182641145,PC-id_108808468	451.543	MCIHQKITPFKXAR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143208
c1(NC(=O)CNc2ccc(OCCC(C)C)c(c2)n2cnnn2)sc2c(CCC2)c1C#N	EMOLS-id_320700213,MCULE-2524422338	451.545	GIHYUTFULJCOFW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143209
CCC(c1ccccc1)NC(=O)c1c2CSCn2c(c1)C(=O)NC(C)c1ccc(cc1)F	PC-id_89734070	451.556	ZGCYPKCFYMWAMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143210
CCC(c1ccccc1)NC(=O)c1c2n(CCS2)c(c1)C(=O)NC(C)c1ccc(cc1)F	PC-id_89733941	451.556	KRSHCXYHFGTFMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143211
CCC(c1ccccc1)NC(=O)c1cc(c2n1CCS2)C(=O)NC(C)c1ccc(cc1)F	PC-id_89733942	451.556	ASRSHXZAYLYLCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143212
CCC(c1ccccc1)NC(=O)c1cc(c2n1CSC2)C(=O)NC(C)c1ccc(cc1)F	PC-id_89733949	451.556	PTSHPJDZVZNHOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143213
CCC(c1ccccc1)NC(=O)c1cc(n2c1CSC2)C(=O)N[C@@H](c1ccc(cc1)F)C	SCHEMBL18432412	451.556	ZGCYPKCFYMWAMN-UJONTBEJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143214
CCC(c1ccccc1)NC(=O)c1cc(n2c1SCC2)C(=O)N[C@@H](c1ccc(cc1)F)C	SCHEMBL18432302	451.556	KRSHCXYHFGTFMY-UJONTBEJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143215
CC[C@H](c1ccccc1)NC(=O)c1cc(c2n1CCS2)C(=O)NC(c1ccc(cc1)F)C	SCHEMBL18432226	451.556	ASRSHXZAYLYLCE-CAWMZFRYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143216
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c2CSCn12)c1ccccc1	BindingDB_PC-id_89733949,BindingDB-id_382158,SCHEMBL15166090	451.556	PTSHPJDZVZNHOU-IIBYNOLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143217
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c2SCCn12)c1ccccc1	SCHEMBL15166083,BindingDB-id_382156,BindingDB_PC-id_89733942	451.556	ASRSHXZAYLYLCE-IIBYNOLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143218
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCSc12)c1ccccc1	BindingDB_PC-id_89733941,SCHEMBL15166082,BindingDB-id_382155	451.556	KRSHCXYHFGTFMY-IIBYNOLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143219
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CSCc12)c1ccccc1	SCHEMBL15166228,BindingDB_PC-id_89734070,BindingDB-id_382160	451.556	ZGCYPKCFYMWAMN-IIBYNOLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143220
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_41273782	451.556	CLCDMMTXAHDVCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143221
s1c2CCC(c2nc1)C(=O)Nc1ccc(C[C@H]2C[C@H](CC2)[C@H](O)c2cc(F)cnc2)cc1	PC-id_58125218	451.556	OQMXFESLYXRHOM-WLSWWZQXSA-N	00000010100000111001000010000000000000000000000000000000	25-01-143222
CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)sc2c1CCC2	ZINC22_408616013	451.56	DZMZDUHZEMYJOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143223
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_144742142	451.56	YUQQNEGHKKINEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143224
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1sc2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_144742198	451.56	HPRKXDGYCJWMSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143225
OCC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)C(C)C	SCHEMBL13786569,PC-id_57791723	451.56	DEKZTDYPEMUZSW-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143226
OCC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)C(C)C	SCHEMBL13786568,PC-id_57791743	451.56	CXCPQTOWWHGBDO-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143227
OCC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)C(C)C	PC-id_57791759,SCHEMBL13786548	451.56	DEKZTDYPEMUZSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143228
OCC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)C(C)C	SCHEMBL13786545,PC-id_57791511	451.56	CXCPQTOWWHGBDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143229
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1	EMOLS-id_3029803,MCULE-7328674204,PC-id_2340811,ZINC22_3222371,CoCoCo_3268228	451.561	ZVMMISSPMBFLHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143230
NC(=O)c1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCC2	PC-id_4504470,ZINC22_16480682	451.561	WCSBQXXNSMLZOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143231
NC(=O)c1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCC2	ZINC22_16480371,PC-id_4504479	451.561	IMBJGAIYFPIGJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143232
s1c2CCCc2c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C#N	PC-id_23798924	451.561	MHOGNAYRDGMCSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143233
c1(NC(=S)Nc2cn(nc2C(=O)NCCOC)CC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4137865,CoCoCo_6811101,ZINC22_20215285,PC-id_17375690,MCULE-8590178408,TIMTEC394678	451.563	PZYKLJPLQMTLFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143234
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(N2CCOCC2)nn1)C)C(=O)OCC	PC-id_40316485	451.563	YGDSPWHIFYGFEM-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-143235
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)NCCC)C1	PC-id_44052843	451.563	FFXFSMYLOKDMFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143236
C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)C(=O)Cc1cscc1	GD-id_ZINC28476358	451.564	VRMFCSGALWSPQI-UHFFFAOYSA-O	00000010100110110001100010000000000000000000000000000000	25-01-143237
C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)Cc1cccs1	GD-id_ZINC13643145,PC-id_24916935	451.564	BMCKWRUTJXVUFF-UHFFFAOYSA-O	00000010100110110001100010000000000000000000000000000000	25-01-143238
CC1CN(C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C)CC1CC1	PC-id_91259574	451.565	AXQABQZIQFTDNO-UHFFFAOYSA-N	00100010100010101001000010000000000000000000000000000000	25-01-143239
C[C@@H]1CN(CC2CC2)[C@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_141529819	451.565	AXQABQZIQFTDNO-JKSUJKDBSA-N	00100010100010101001000010000000000000000000000000000000	25-01-143240
C[C@H]1CN(CC2CC2)[C@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_66738887,SCHEMBL597382	451.565	AXQABQZIQFTDNO-HOTGVXAUSA-N	00100010100010101001000010000000000000000000000000000000	25-01-143241
C[C@H]1CN(CC2CC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	SCHEMBL16605997	451.565	AXQABQZIQFTDNO-CVEARBPZSA-N	00100010100010101001000010000000000000000000000000000000	25-01-143242
CCOC(=O)C1(Nc2ccc(c(c2)OCCc2cccc(c2)C)OC)Cc2c(C1)csc2	SCHEMBL18874180	451.578	BIWWTCWTQXUXSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143243
s1c2c(CCC2)c(c1NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)OCC	PC-id_55842022	451.58	SGNPFAQLEUOWRI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-143244
c1(C(=O)N(CC2CCCO2)Cc2cccc(OCCc3cccs3)c2)c2CCCc2[nH]n1	MCULE-7895944921,EMOLS-id_20728529,PC-id_45247541	451.581	DARLTJLZAUZGLB-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-143245
c1(C(=O)N(CC2CCCO2)Cc2cccc(OCCc3ccsc3)c2)c2CCCc2[nH]n1	EMOLS-id_20728007,MCULE-9806388590,PC-id_45247405	451.581	CCIOZUMOPWEMJB-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-143246
c1(NC(=O)COc2cccc(c2)NC(=O)CCC2CCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_323189103,MCULE-2796323381	451.581	RWYLPQOBOFPUBL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143247
O=C(c1n[nH]c2c1CCC2)N(Cc1cccc(OCCc2cccs2)c1)C[C@@H]1CCCO1	CoCoCo_1614378,ZINC22_20726799,CoCoCo_1614380	451.581	DARLTJLZAUZGLB-FQEVSTJZSA-N	00000010100100110001000010000000000000000000000000000000	25-01-143248
O=C(c1n[nH]c2c1CCC2)N(Cc1cccc(OCCc2cccs2)c1)C[C@H]1CCCO1	CoCoCo_1614379,ZINC22_20726804,CoCoCo_1614381	451.581	DARLTJLZAUZGLB-HXUWFJFHSA-N	00000010100100110001000010000000000000000000000000000000	25-01-143249
O=C(c1n[nH]c2c1CCC2)N(Cc1cccc(OCCc2ccsc2)c1)C[C@@H]1CCCO1	CoCoCo_1613562,CoCoCo_1613564,ZINC22_15002151,PC-id_26357983	451.581	CCIOZUMOPWEMJB-NRFANRHFSA-N	00000010100100110001000010000000000000000000000000000000	25-01-143250
O=C(c1n[nH]c2c1CCC2)N(Cc1cccc(OCCc2ccsc2)c1)C[C@H]1CCCO1	PC-id_26357987,CoCoCo_1613563,CoCoCo_1613565,ZINC22_15002155	451.581	CCIOZUMOPWEMJB-OAQYLSRUSA-N	00000010100100110001000010000000000000000000000000000000	25-01-143251
CC(C)c1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324832497	451.583	LXIYBJIJLMJAPS-UQQQWYQISA-N	00000000100000110001000010000000000000000000000000000000	25-01-143252
CC(C)(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324823031	451.583	FIIFFSQGZBGMSB-NKFKGCMQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143253
n12c(=O)c(=Cc3ccc(cc3)C(C)(C)C)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-3353464973	451.583	FIIFFSQGZBGMSB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143254
n12nc(nc1sc(=Cc1ccc(cc1)C(C)C)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-7561234141	451.583	LXIYBJIJLMJAPS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143255
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)CC(=O)NCCCOC)C)C(=O)N	PC-id_24507384	451.583	FVFITHFQRQCYGW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143256
c1(C(=O)N2CCC(CC2)Oc2cccc(CN(C)Cc3cscn3)c2)c2CCCc2[nH]n1	MCULE-2096818117,PC-id_118755754,ChEMBL-DNDi_CHEMBL27367255,EMOLS-id_68884579	451.584	VDPXSZIWRSWBJJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143257
Cc1nn(c2ccccc2)c(C)c1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41135570,CoCoCo_4231333,CoCoCo_4231332,ZINC22_9586270	451.584	HBNKKATWZSQGIQ-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143258
Cc1nn(c2ccccc2)c(C)c1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9586268,CoCoCo_4231330,CoCoCo_4231331,PC-id_41135568	451.584	HBNKKATWZSQGIQ-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143259
CC(C(=O)Nc1c(C(=O)N)c2c(CCC2)s1)N(Cc1c(C)n(c2ccccc2)nc1C)C	PC-id_16365365,MCULE-1868371171,EMOLS-id_3644452	451.584	HBNKKATWZSQGIQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143260
s1c2c(CCC2)c(c1NC(=O)CCN1C(CCCC1)CNC(=O)Nc1ccccc1)C#N	PC-id_75918271	451.584	NFHCOMZCISJUBO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143261
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)NCc1ccccc1)C#N	PC-id_24596438	451.584	COJFIEJZDJZYES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143262
s1c2c(CCC2)c(c1NC(=O)CCN1[C@@H](CCCC1)CNC(=O)Nc1ccccc1)C#N	PC-id_52759051	451.584	NFHCOMZCISJUBO-SFHVURJKSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143263
s1c2c(CCC2)c(c1NC(=O)CCN1[C@H](CCCC1)CNC(=O)Nc1ccccc1)C#N	PC-id_52759053	451.584	NFHCOMZCISJUBO-GOSISDBHSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143264
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_4186033,PC-id_41118829,ZINC22_9548569	451.586	JYKKZAFUMQEWEV-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-143265
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_9548570,PC-id_41118830,CoCoCo_4186034	451.586	JYKKZAFUMQEWEV-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143266
N#Cc1c(NC(=O)CSc2nnc(n2C)CC2CCS(=O)(=O)C2)sc2c1CCC2	EMOLS-id_43975003,MCULE-8685144830,PC-id_16345745	451.586	JYKKZAFUMQEWEV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143267
CCOC(=O)c1c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)sc2c1CCC2	ZINC22_408563225	451.601	KHMIGOUHIBYUGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143268
O(C(CCCCCC)C(=O)NCCc1nc2n(nc(C(C)C)c2=C)n1)c1c(cc(cc1)C)C	PC-id_60065338	451.604	LNGFZGORIMXRMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143269
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)N1CCCCCC1	PC-id_16599108	451.606	LIKOCMLEYNYAHU-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-143270
CCCCN1CCN(CC1)c1ccc(c(c1)C)/N=C/1c2nnc(n2N=C1C(C)(C)C)COC	PC-id_59211542,SCHEMBL13237398	451.608	CWCBGYUWPTXPDB-ROMGYVFFSA-N	00000011100010110001100010000000000000000000000000000000	25-01-143271
C[C@@H](C[C@H]1CCc2c1c(c(s2)N)C(=N)OC1CCC(CC1)N(C)C(=O)OC(C)(C)C)O	PC-id_136634840	451.623	UCVKXXQFRZMTSW-QRNKSROTSA-N	00000010100010000000000010000000000000000000000000000000	25-01-143272
O=C(NC(C)(C)C)C[N@@H+]1CCC[N@H+](CC1)[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC22798968	451.626	FWCNBJGQFLVLRI-CQSZACIVSA-P	00000010100000000101000010000000000000000000000000000000	25-01-143273
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1C)CC1CCSC1	PC-id_138706505,SCHEMBL21082859	451.629	YLMGNSWZMDAWAO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143274
COC(=O)c1cc2c(n1C(=O)OC(C)(C)C)CCC2Cc1cccc(c1)C#C[Si](C)(C)C	PC-id_66873381,SCHEMBL1003829	451.63	KYFNCKNQBZZOBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143275
CCCCCCCCCCCCCCOC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_102304606	451.641	OCGIJPHPUOIPOB-RUZDIDTESA-N	00000010100000110000000010000000000000000000000000000000	25-01-143276
CCCCCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C)C	SCHEMBL11007938,PC-id_20405042	451.641	WHADRVYTBAGZEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143277
CCCCN(c1ccc(c(c1)C)/C=c/1c2nnc(n2nc1C(C)(C)C)C(COC)(C)C)CC	SCHEMBL12559758,PC-id_59211564	451.647	MLTOGGZHIFXDNN-XLNRJJMWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143278
O(CC(c1n2nc(C(C)(C)C)c(=Cc3c(cc(N(CCCC)CC)cc3)C)c2nn1)(C)C)C	PC-id_72531771	451.647	MLTOGGZHIFXDNN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143279
Cc1c(c(=O)n([nH]1)c1c(cc(cc1Cl)Cl)Cl)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135514283	451.757	PRVHQIWBZMANRZ-KTZMUZOWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143280
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C/1=C/Nc1sc2c(c1C#N)CCC2	EMOLS-id_49396687,ZINC22_101122258	451.757	CEMUNRINMLUURC-MDWZMJQESA-N	00000011100000110001100010000000000000000000000000000000	25-01-143281
Clc1c(N2N=C(/C(=C/Nc3sc4CCCc4c3C#N)/C2=O)C)c(Cl)cc(Cl)c1	PC-id_5759548	451.757	CEMUNRINMLUURC-JYRVWZFOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-143282
s1c2CCCc2c(C#N)c1NC=C1C(=O)N(N=C1C)c1c(Cl)cc(Cl)cc1Cl	PC-id_45919174,MCULE-8884257025	451.757	CEMUNRINMLUURC-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-143283
CCOC(=O)c1c(NC(=O)c2c(F)c(Cl)ccc2C(F)(F)F)sc2c1C(C)OC2	PC-id_24772095,SCHEMBL2162462	451.82	ZTDMYSQTAICWKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143284
Cc1c(C(=O)C(=O)NC(C)(CO)CO)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	SCHEMBL19900845,BindingDB-id_799409,PC-id_134285142	451.876	MHYNMOSARYVTPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143285
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1)Cl)C(=O)OC	PC-id_3400648,MCULE-7930822126,EMOLS-id_2571264	451.92	LTTMFCVOKIJSHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143286
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cc(C)c(c(C)c1)Cl)C(=O)OC	MCULE-2622045747,PC-id_2789203,EMOLS-id_1859265,SPECS-id_AE-641/40790218,STOCK2S-62426	451.92	PXNNQMRHOKOECV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143287
COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1565128,ZINC22_1773640,CoCoCo_1784131	451.92	LTTMFCVOKIJSHY-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143288
COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_6995798,ZINC22_6162310,CoCoCo_1784132	451.92	LTTMFCVOKIJSHY-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143289
COC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_844495,PC-id_1554828,ZINC22_1747474	451.92	PXNNQMRHOKOECV-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143290
COC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_1747469,CoCoCo_844496,PC-id_1554827	451.92	PXNNQMRHOKOECV-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143291
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cnc(c(c1)Cl)OC1CCOCC1	PC-id_92085179	451.924	JNQAFKPAKNQMKO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-143292
Clc1c(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc([N+](=O)[O-])cc1	PC-id_16960849	451.924	YRJWVUIZYLBZAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143293
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_323220805,MCULE-7565265704	451.925	DJRFSJJFOBRCKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143294
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C#N	MCULE-6210353657,EMOLS-id_323210828	451.925	ZAXYMUZFGYZQHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143295
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C#N	EMOLS-id_323218752,MCULE-9814021437	451.925	BLDXFBIUGPUHAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143296
C=CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	ZINC22_16735198,EMOLS-id_45964825	451.925	YMOGUNCXNUFWMX-LCJXIQSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143297
Clc1ccc(NC(=O)c2ccc(OCC(=O)Nc3sc4CCCc4c3C#N)cc2)cc1	PC-id_1672752	451.925	OWJQEASYWWJNLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143298
Clc1c(NC(=O)c2ccc(OCC(=O)Nc3sc4CCCc4c3C#N)cc2)cccc1	PC-id_1662673	451.925	JTKKYFSRBZPYLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143299
COc1cc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)ccc1OCC=C	EMOLS-id_27022637	451.925	YMOGUNCXNUFWMX-OIFMPOKBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143300
n12nc(nc1sc(=Cc1cc(C)c(c(C)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-2244761658	451.925	GKHRFROLJXNRFW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143301
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC=C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4172675106	451.925	YMOGUNCXNUFWMX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143302
Clc1ccc(cc1)SCC(=O)N1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5536518,PC-id_69479631	451.927	ALAQFZXDPVFNNF-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-143303
Clc1ccc(cc1)SCC(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5536524,PC-id_69479632	451.927	ALAQFZXDPVFNNF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143304
CCC1OC2=C(S1)SC(=C2)C[I+]C3NC4=C(O3)C=C(S4)C	PC-id_148385903	451.93	FIZMPLDXDWMWEK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143305
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(OC)c(Cl)c2)sc2c(CCC2)c1C#N	EMOLS-id_320730696,MCULE-8169723125	451.947	JEWUUWVORURROH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143306
c1(NC(=O)CS(=O)CC(=O)Nc2c(OC)ccc(Cl)c2)sc2c(CCC2)c1C#N	EMOLS-id_320679005,MCULE-4079097701	451.947	ZTYVLSKUFOMYFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143307
Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1	BindingDB_PC-id_1512872,EMOLS-id_6734639,CoCoCo_1913487,ZINC22_1433755,CHEMBL316314,MCULE-3855815374,PC-id_1512872	451.947	GRPMFEOVLFSTAJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143308
Clc1cc(NC(=O)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(OC)cc1	PC-id_40984766	451.947	MKTMFTIZXSBBIA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-143309
Clc1c(cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C)/C=C(/P(=C)(C)C)C(=O)OC	PC-id_59932996	451.95	GTPICEDWURWGDC-HBAVDNSESA-N	00000010100000110001000010000000000000000000000000000000	25-01-143310
Clc1c(cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C)C=C(P(=C)(C)C)C(=O)OC	PC-id_72599367	451.95	GTPICEDWURWGDC-SHDARPDJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143311
CCOC(=O)c1c(NC(=O)/C(=C/c2ccccc2Cl)/c2ccccc2)sc2c1CCC2	ZINC22_408577320	451.965	YLFKEHNRPJZGPM-XDJHFCHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143312
C1CCCC(CC1)NC(=O)C1CCc2nnc(n12)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134799040	451.97	PGTOEPSYOVNULF-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-143313
Clc1ccc(c(c1)CC1CCn2c1c(CC(=O)N(C1CCOCC1)C)n(c2=S)C)F	SCHEMBL21135907,PC-id_139293429	451.985	CQXKGBPHTQCRNW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143314
OC1CCC(CC1)NC(=O)Cc1c2C(CCn2c(=S)n1C)Cc1cc(Cl)ccc1F	PC-id_139293656	451.985	ZBGPIXHINYIYHN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143315
O[C@@H]1CC[C@H](CC1)NC(=O)Cc1c2C(CCn2c(=S)n1C)Cc1cc(Cl)ccc1F	SCHEMBL21136139	451.985	ZBGPIXHINYIYHN-RTUCITHXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143316
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2sc3c(c2C#N)CCC3)c1	PC-id_44323941,CHEMBL88510,BindingDB_PC-id_44323941	451.99	ABAXPVBYROXSHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143317
OC[C@@H](COc1ccc(c(c1)Cl)CNC(=O)c1sc(c2c1CC([C@H]2C)C(C)C)C)O	PC-id_143171996	452.007	CEACUSWXWPVTTE-YDXVHPOTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143318
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)NC4=NC=C(S4)Cl)C(=O)O	PC-id_160175013	452.063	PDNKESBBPVCFRL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143319
CC1CCc2c1c(CBr)nn2Cc1ccc(c(Br)c1)C(F)(F)F	MCULE-2640817899,EMOLS-id_331030533	452.107	NTHLGJURXOZRJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143320
CC1CCc2c1c(CBr)nn2Cc1ccc(cc1Br)C(F)(F)F	EMOLS-id_331032068,MCULE-6415454328	452.107	FHBLBAWBVAASKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143321
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(CBr)c12	EMOLS-id_331013566,MCULE-2866920596	452.107	GWGRSACZQCSQJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143322
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(CBr)c12	MCULE-1968955633,EMOLS-id_331011006	452.107	AVCPFCNYASSADV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143323
CC1=CC(=CC(=C1C(C2=C3CCCC3=CN2)C4=C5CCCC5=C(N4)C(=O)O)C)Br	PC-id_164810481	452.11	VQSYGGIOWIBRBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143324
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)Br	PC-id_153575605	452.142	RSTMHVVEDSENCD-OKILXGFUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143325
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4Cl	PC-id_160251430	452.162	DPBXDRRIJXXUAZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143326
CC1=C(N2CCCC2=C1C(=O)C(=O)NC34CC(C3)C(C4)C#N)C(=O)NC5=CC(=C(C=C5)F)F	PC-id_153020322	452.166	VBUNVNUCTQNPOP-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-143327
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)cc(Br)c(c1)C	PC-id_81435875	452.185	ROGJLIAAZJJKCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143328
COCCNC(c1sc2c(n1)CCC2)c1sc(c(c1)Br)Br	PC-id_102843097	452.228	MJQSIPNUNUHAOR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-143329
Ic1cc(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc1	PC-id_16522258	452.266	REWJBTZTBNSHOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143330
Ic1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_16521735	452.266	UDMKJNHGBCJDNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143331
Clc1c(C(=O)NCC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)ccc(Cl)c1	PC-id_1672753	452.311	FOUKRLTYRCROMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143332
Brc1ccc(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_41977062	452.319	HFPFJLIPOIHIIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143333
CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2Br)sc2c1CCC2	MCULE-4819701442,EMOLS-id_3158926,PC-id_3693662,CoCoCo_3030721,ZINC22_8402790	452.319	BGKLABIYBTVZBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143334
BrC1=CC(=CNNC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C=CC1=O	PC-id_19169879	452.322	YXQKNWQUVVWHGM-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-143335
BrC1=C/C(=C/NNC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)/C(=O)C=C1	PC-id_19172690	452.322	ZFDKVCYAQLLVDY-KTKRTIGZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-143336
BrC1=CC(=CNNC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C(=O)C=C1	PC-id_73551137	452.322	ZFDKVCYAQLLVDY-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-143337
c1(NC(=O)NN=Cc2cc(Br)ccc2O)sc2c(CCC2)c1C(=O)OCC	MCULE-2281344192	452.322	UWSPXEYWQMSKLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143338
c1(NC(=O)NN=Cc2ccc(c(Br)c2)O)sc2c(CCC2)c1C(=O)OCC	PC-id_135604276,MCULE-4939170132	452.322	SNSIUAIXKNZEBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143339
CCOC(=O)c1c(sc2c1CCC2)NC(=O)N/N=C/c1c(ccc(c1)Br)O	PC-id_135604374	452.322	UWSPXEYWQMSKLJ-AWQFTUOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143340
Brc1cc(c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)c(c1)C)C	PC-id_4960987	452.362	BGQUENDNJQRUPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143341
Brc1ccc(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)(C)C)cc1	PC-id_30309455	452.362	IXZOIJIMZMFYDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143342
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OCCCC	PC-id_4955749	452.362	HHMHYULELXOFRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143343
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OCCC	PC-id_17342702	452.362	DVKPZVHATJGJKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143344
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OC(C)C	PC-id_17355202	452.362	BXTHUTCPXZHPMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143345
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OC(C)C)cc1	PC-id_17051462	452.362	FAPDXWGWXMZUNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143346
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCC)cc1	PC-id_17351413	452.362	MGYCZYBIODCYLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143347
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCC(C)C)cc1	PC-id_17050755	452.362	ZOWBKPBXRALXQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143348
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCCC)cc1	PC-id_17349972	452.362	NEQBUYRXMRRVPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143349
Brc1c(OCC(C)C)ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_17351596	452.362	ZGZSYJFVUYNYOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143350
c1(NC(=O)CCCOc2ccc(cc2Br)C)sc2c(CCC2)c1C(=O)OC	PC-id_1701840,MCULE-4686453057	452.362	UYDFCDFUAXDYPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143351
c1(NC(=O)COc2ccc(cc2Br)CCC)sc2c(CCC2)c1C(=O)OC	MCULE-3972497030,PC-id_1701846	452.362	CQJKZNFDFOFUNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143352
c1(NC(=O)COc2ccc(cc2Br)C(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_1701844,MCULE-2537131382	452.362	LZQXDNXIKSVVMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143353
c1(NC(=O)COc2ccc(cc2Br)CC)sc2c(CCC2)c1C(=O)OCC	MCULE-7818073867,PC-id_4630387	452.362	FRCGDZJELJKCSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143354
c1(NC(=O)COc2ccc(cc2CC)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_1701634,MCULE-1735269817	452.362	FDRDCNINIMLUOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143355
c1(NC(=O)COc2ccc(cc2C(C)C)Br)sc2c(CCC2)c1C(=O)OC	PC-id_1701842,MCULE-3549151331	452.362	OAOKHQYRMZLJNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143356
c1(NC(=O)COc2c(C)cc(cc2C)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-2546200101,TIMTEC292220,ZINC22_1930421,EMOLS-id_3763491,SPECS-id_AN-329/41471995,PC-id_1656704,CoCoCo_6059947,SPECS-id_AT-084/J169748,SPECS-id_AN-153/I199140	452.362	LPQIHIWKPRYFDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143357
Brc1cc(CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(OC)cc1	PC-id_27224808	452.365	HIFAIZRTKQHQLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143358
Brc1c(C(=O)NC(CCSC)C(=O)NCc2n3CCCc3nn2)cccc1	MCULE-7141513670,PC-id_42892570,EMOLS-id_24011121	452.369	YFJLBMIGOXTIJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143359
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1nnc2n1CCC2	CoCoCo_4560399,PC-id_40124213,ZINC22_32889077	452.369	YFJLBMIGOXTIJD-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143360
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1nnc2n1CCC2	ZINC22_32889078,CoCoCo_4560398,PC-id_40124214	452.369	YFJLBMIGOXTIJD-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143361
s1c2c(CCC2)c(c1NC(=O)COc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N	PC-id_24459123	452.371	VPFIPVSXNJIGKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143362
s1c2c(CCC2)c(c1NC(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F)C(=O)N	PC-id_3664717	452.374	RIXOCCWSRQPFHS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-143363
Clc1c(c2scc(n2)CC(=O)NNC(=O)c2sc3CCCc3c2)c(Cl)ccc1	EMOLS-id_16667989,PC-id_25639098,MCULE-1826788754,CoCoCo_4364150	452.377	DKEUASJGFGBEIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143364
Brc1cc2c(s1)C(=O)N(C2)CC[C@@](S(=O)(=O)C)(C(=O)OC(C)(C)C)C	PC-id_145771024	452.384	XUDSAHYDHJJJAM-MRXNPFEDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-143365
Brc1cc2c(s1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)OC(C)(C)C)C	SCHEMBL18587716	452.384	XUDSAHYDHJJJAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-143366
FC(F)(F)c1ccc(C2=CCN(CC2)C(=O)OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_69479770,SCHEMBL5537194	452.384	VQIOEUZDCMIOOI-LJQANCHMSA-N	00000010100011110001100010000000000000000000000000000000	25-01-143367
FC(F)(F)c1ccc(C2=CCN(CC2)C(=O)OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL5534513,PC-id_23081103	452.384	VQIOEUZDCMIOOI-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-143368
O=C(Cc1[nH]c(=S)n2c1C(CCc1cc(Br)ccc1F)CC2)NC1CCC1	PC-id_139293618	452.384	SVTROFRICTXZII-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143369
O=C(Cc1[nH]c(=S)n2c1[C@H](CCc1cc(Br)ccc1F)CC2)NC1CCC1	SCHEMBL21136099	452.384	SVTROFRICTXZII-GFCCVEGCSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143370
FC(F)(F)c1cc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc(c1)C(F)(F)F	EMOLS-id_328219765,MCULE-8551425728	452.392	NNMMNEUTMHBUQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143371
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)(C)C)n(C)nc2CSCc12	MCULE-9668596206,EMOLS-id_334561469	452.408	BPGUFQINEFCPEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143372
Cc1c(cc(c(c1F)F)C(=NN1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)C)F	SCHEMBL5539253,PC-id_87851865	452.43	UTHKJSOQMNJBAT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143373
CC(=NN1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1ccc(cc1)C(F)(F)F	SCHEMBL5539250,PC-id_87851860	452.43	MEDFPUZTJHZTDD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143374
C/C(=NN1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])/c1ccc(cc1)C(F)(F)F	PC-id_140503037	452.43	MEDFPUZTJHZTDD-CPUXBYDOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143375
C/C(=N/N1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])/c1ccc(cc1)C(F)(F)F	SCHEMBL5539243	452.43	MEDFPUZTJHZTDD-ILRHRSLTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143376
CC(=NN1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccc(cc1)C(F)(F)F	SCHEMBL5539247	452.43	MEDFPUZTJHZTDD-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-143377
COc1cc(cc(c1O)OC)/C=c/1sc2n(c1=O)cc(n2)/C(=C/C=CCC(F)(F)F)/C	PC-id_144572598	452.447	YMQWTZHXVGIAMB-CQENJYTRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143378
c1(NC(=O)CN2CCN(CC2)c2[nH]c(=O)cc(C(F)(F)F)n2)sc2c(CCC2)c1C#N	EMOLS-id_322523747,MCULE-3936203868	452.453	QQBTZZGEDXZOKB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-143379
Cc1c(n2CCCc2c1C(=O)C(=O)NC12CCC1C(C2)C#N)C(=O)Nc1cc(c(cc1)F)F	PC-id_134302893,SCHEMBL19920609	452.453	TWKSSSVFWRMJAC-UHFFFAOYSA-N	00001010100010110000001010000000000000000000000000000000	25-01-143380
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cn2)F)sc2c(CCC2)c1C#N	EMOLS-id_321903871,MCULE-4745260894	452.461	AKCDXRKCHSFOLQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-143381
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2c(C(=O)NC3CCCCC3)nn(c2)CC)n1	MCULE-8410217854,TIMTEC548704,ZINC22_20607506,EMOLS-id_8867387,PC-id_19590946	452.473	XJXCRMIGEAQUIK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143382
O=C(O)C(=O)O.s1c2c(c(c1NC(=O)CCNCc1occc1)C(=O)OCC)CCC2	CHEMBL1483743	452.478	IDPLXXRYPDSMFD-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-143383
S(=O)(=O)([N-]c1sccn1)c1ccc(NC(=O)Cn2nc(c3c2CCC3)C(F)F)cc1	PC-id_51853290	452.478	AKHIVQMDNDXEKL-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-143384
CNC[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_24765607,SCHEMBL14521367	452.481	WEZSTHZREHCMOO-GOSISDBHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-143385
CNC[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F	PC-id_71191383,SCHEMBL14521436	452.481	IHUBOSGCAABLNC-GOSISDBHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-143386
c1(NC(=O)COc2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883970,MCULE-7971525947	452.483	LNYFNLNBDMSKEC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143387
c1(NC(=O)COc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883986,MCULE-8812499204	452.483	VPICCQYLJMERNP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143388
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1OC	PC-id_117588506,ZINC22_256055864	452.483	WPYHJSHLMMLMLB-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143389
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(OC)c1	ZINC22_256055617,PC-id_117588498	452.483	NKPKOZCPZYYLKB-GRSHGNNSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143390
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	PC-id_117588492,ZINC22_256055774	452.483	SQFDTLBMYBKIGN-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143391
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccc(cc1)OC)c2=O	MCULE-4292160413	452.483	SQFDTLBMYBKIGN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143392
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccccc1OC)c2=O	MCULE-9469819764	452.483	WPYHJSHLMMLMLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143393
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1cccc(OC)c1)c2=O	MCULE-4774254643	452.483	NKPKOZCPZYYLKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143394
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C#N)C)C(=O)OC	PC-id_45606465	452.483	FUSUKDDLFXZHHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143395
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(cc1)C#N)C)C(=O)OC	PC-id_51911649	452.483	FUSUKDDLFXZHHD-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143396
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(cc1)C#N)C)C(=O)OC	PC-id_51911650	452.483	FUSUKDDLFXZHHD-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143397
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)N(C)C)sc2CCCc2c1C#N	MCULE-3411791087,EMOLS-id_333676792	452.486	XKLJOHCTEHNGGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143398
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(N(C)C)c2)sc2CCCc2c1C#N	MCULE-4473929923,EMOLS-id_333679350	452.486	DYESWWJMDCFHJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143399
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1ccccc1)/n1nnnc1C)C(=O)N	PC-id_29322930	452.486	GFWKJSARVBSXLY-GDNBJRDFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143400
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccccc1)n1nnnc1C)C(=O)N	PC-id_74593251	452.486	GFWKJSARVBSXLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143401
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)F)C(=O)Nc1ccc(cc1)C(=O)OCC	CoCoCo_523258,MCULE-9664637374,EMOLS-id_2485015,ZINC22_1061004,PC-id_1251178	452.498	SOOIEZFIDKUASC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143402
CCOC(=O)c1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)c1ccccc1F	CoCoCo_6968262,PC-id_1234957	452.498	YPHBOKQXVPBJHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143403
C[C@@](CCN1Cc2cc(C#CC#CC3(O)COC3)sc2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4459974	452.501	DCRCKIOTSRMPGL-GOSISDBHSA-N	00001010100000000000000010000000000000000000000000000000	25-01-143404
COc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CS(=O)(=O)C	PC-id_66789387,SCHEMBL753377	452.501	UYZOMSKCTXINOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143405
COc1cc(/C=CC(=O)O)cc(c1OC)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3532706	452.501	UZGZXCBSIXYWJM-SREVYHEPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143406
COc1cc(/C=C/C(=O)O)cc(c1OC)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_26949444,CoCoCo_3532705,MCULE-2279787749	452.501	UZGZXCBSIXYWJM-VOTSOKGWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143407
COc1cc(C=CC(=O)O)cc(c1OC)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_72081319,MCULE-3480489888,EMOLS-id_29954247	452.501	UZGZXCBSIXYWJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143408
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N)cc1)C(=O)OCC	PC-id_45676634	452.501	PZXZOLQIGKSLBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143409
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NS(=O)(=O)C)cccc1)C(=O)OC	PC-id_16519128	452.501	RILBZVAXWHNOKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143410
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_44009379	452.501	LUNGEBDVODOSDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143411
s1c2CCCc2cc1C(=O)Nc1cc(C2NNC(=O)C(Nc3ncncc3)C2)ccc1F	PC-id_75153438	452.505	DWELVRPZFKAEEX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143412
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1noc(c1)C)C	SCHEMBL1204679,PC-id_66941236	452.506	BQCLCSUULAUELA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143413
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1noc(c1)C)C	SCHEMBL1204678,PC-id_58015705	452.506	BQCLCSUULAUELA-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143414
FC(F)(F)c1cccc(c1)C1CCN(CC1)C(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328339856,MCULE-1841806778	452.511	HGVBFAQDIOCFGX-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-143415
CC(=O)NCC(c1nc2n(n1)nc(/c/2=C/c1c(C)nn2c1[nH]c(n2)C(CNC(=O)C)C)C)C	SCHEMBL12278165	452.513	BZDKCKIGFFOMER-IDUWFGFVSA-N	00000000100000000001000110000000000000000000000000000000	25-01-143416
O=C(NCC(c1nc2n([nH]c(c2/C=c/2c3n(nc(n3)C(CNC(=O)C)C)nc2C)C)n1)C)C	PC-id_58444927	452.513	QJQREEBBZSTPIE-IDUWFGFVSA-N	00000000100000000001000110000000000000000000000000000000	25-01-143417
O=C(NCC(c1nc2n([nH]c(c2C=c2c3n(nc(n3)C(CNC(=O)C)C)nc2C)C)n1)C)C	PC-id_76788030	452.513	QJQREEBBZSTPIE-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-143418
FC(F)(F)c1nn(c2c1CCC2)C(C(=O)N1CCN(CC1)Cc1c(n(nc1C)C)C)CC	PC-id_19590834	452.516	YJUDXVQSVKIIEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143419
CC(n1nc2c(c1)CN(C2)C(=O)c1cc(ccc1N1CCC(CC1)(F)F)S(=O)(=O)C)C	PC-id_118479350,SCHEMBL17214198	452.518	YJUQLZUNFJHMRG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143420
c1(c2CCCc2sc1NC(=O)COc1ccc(cc1)F)C(=O)NC1CCS(=O)(=O)C1	TIMTEC400089,PC-id_17012693,EMOLS-id_10105466,MCULE-1588823150	452.52	QGBRGPVTCWTVSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143421
O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2	PC-id_35042716,CoCoCo_6329971,ZINC22_27663129	452.52	QGBRGPVTCWTVSH-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143422
O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2	PC-id_35042718,CoCoCo_6329972,ZINC22_27663131	452.52	QGBRGPVTCWTVSH-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143423
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_16923864	452.52	YQNYVDFDOODKQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143424
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccc(cc1)C(C)C)C#N)C(=O)OC	MCULE-1613278330,PC-id_16412157	452.523	SPPUQVRBYLNROD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143425
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6127679469	452.523	RWVLBAHRXRFBLN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143426
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2058459703	452.523	HVMCOMCMULJNIV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143427
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6682843437	452.523	PVEPPDFAAUSQDU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143428
c1(NC(=O)COc2ccccc2OCC=C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336427,MCULE-1915419356	452.523	YZTYVBYGCWAHFU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143429
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1OC	EMOLS-id_334336680	452.523	HVMCOMCMULJNIV-PKNBQFBNSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143430
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c(OC)c1	EMOLS-id_334339751	452.523	RWVLBAHRXRFBLN-PKNBQFBNSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143431
COc1ccc(OC)c(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c1	EMOLS-id_334337711	452.523	PVEPPDFAAUSQDU-DHZHZOJOSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143432
COC(=O)C1CCc2sc(NC(=O)/C(=C/c3ccc(cc3)C(C)C)/C#N)c(C(=O)OC)c12	EMOLS-id_26500949,PC-id_5711203	452.523	SPPUQVRBYLNROD-LFIBNONCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143433
COC(=O)C1CCc2sc(NC(=O)/C(=Cc3ccc(cc3)C(C)C)/C#N)c(C(=O)OC)c12	STOCK2S-88718,EMOLS-id_26286352	452.523	SPPUQVRBYLNROD-WJDWOHSUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143434
COC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C(=O)OC)c1C	EMOLS-id_328224630,MCULE-6013781752	452.523	CKWBRNPMVPVJOD-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-143435
N#C/C(=C/c1ccc(cc1)C(C)C)/C(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC	CoCoCo_5838602	452.523	SPPUQVRBYLNROD-ZFOVBUMHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143436
N#C/C(=C/c1ccc(cc1)C(C)C)/C(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC	CoCoCo_5838604	452.523	SPPUQVRBYLNROD-NIFLVVHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143437
N#C/C(=Cc1ccc(cc1)C(C)C)/C(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC	PC-id_1186629,CoCoCo_5838603	452.523	SPPUQVRBYLNROD-ABPVARSCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143438
N#C/C(=Cc1ccc(cc1)C(C)C)/C(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC	PC-id_1564417,CoCoCo_5838601	452.523	SPPUQVRBYLNROD-YTBHAWNYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143439
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(C(=O)NC(c1ccccc1)C)C	PC-id_42982165	452.523	SMMIXFOYSMGDJZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143440
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)N(C(c1ccccc1)C)C	PC-id_43026390	452.523	HOFWNDFIQKZCAA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143441
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)N(C(C)C)c1ccccc1	PC-id_42981864	452.523	HEOIUIWDAOEYJP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143442
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1oc(cc1)c1ccccc1)C)C(=O)N	PC-id_24498770	452.523	UCMOSDRUFQJHLG-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-143443
s1c2c([C@@H](CC2)C(=O)OC)c(c1NC(=O)C(=Cc1ccc(C(C)C)cc1)C#N)C(=O)OC	PC-id_1186630	452.523	SPPUQVRBYLNROD-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143444
s1c2c([C@H](CC2)C(=O)OC)c(c1NC(=O)C(=Cc1ccc(C(C)C)cc1)C#N)C(=O)OC	PC-id_1186631	452.523	SPPUQVRBYLNROD-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143445
CCCCc1cccc(c1c1ccc(c(n1)NC(=O)N1Cc2c(C1)cnn2CCOC)N)F	PC-id_142527813	452.524	YSBBPXYZAYQGLM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-143446
s1c2CCCc2c(c1N=Cc1oc(c2ccc(cc2)C(=O)OCc2ccccc2)cc1)C#N	PC-id_50885906	452.524	NAPHLULDXUWPHH-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-143447
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCOC	PC-id_74738942	452.525	FPAKEMQNENUELI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143448
c1(NC(=O)c2cc([nH]n2)c2ccccc2O)sc2c(CCC2)c1C(=O)NCC1CCCO1	STOCK5S-33069,MCULE-7072314161,EMOLS-id_4671423,TIMTEC560569,EMOLS-id_30360407	452.526	XXDYIOUNVYORFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143449
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccco2)sc2CCCc2c1C#N	MCULE-5586288033,EMOLS-id_331923999	452.526	GVVOBCYXDXPWCX-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-143450
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1cc(c2ccccc2O)[nH]n1	CoCoCo_6210802,CoCoCo_6210804,ZINC22_8845183	452.526	XXDYIOUNVYORFM-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143451
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1cc(c2ccccc2O)[nH]n1	CoCoCo_6210805,CoCoCo_6210803,ZINC22_8845184	452.526	XXDYIOUNVYORFM-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143452
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C=CC=C2)/NN1)C(=O)NCC1OCCC1	PC-id_6094192	452.526	UEDKPCKEBZPQSK-PEZBUJJGSA-N	00000011100011000001100010000000000000000000000000000000	25-01-143453
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=CC=C2)NN1)C(=O)NCC1OCCC1	PC-id_6839445	452.526	UEDKPCKEBZPQSK-UHFFFAOYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-143454
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=CC=C2)NN1)C(=O)NC[C@@H]1OCCC1	PC-id_6771311	452.526	UEDKPCKEBZPQSK-CYBMUJFWSA-N	00000011100011000001100010000000000000000000000000000000	25-01-143455
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=CC=C2)NN1)C(=O)NC[C@H]1OCCC1	PC-id_7005533	452.526	UEDKPCKEBZPQSK-ZDUSSCGKSA-N	00000011100011000001100010000000000000000000000000000000	25-01-143456
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(n(nc1C)c1ccccc1)C)C)C(=O)N	PC-id_24497769	452.526	OXQVOLHUJGMOMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143457
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1C)Cc1ccccc1)C)C(=O)N	PC-id_24383030	452.526	SUOHDBBSACIZBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143458
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1c(n(nc1C)c1ccccc1)C)C(=O)N	PC-id_55403212	452.526	WPZPFJQTGUOVQV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143459
S1Cc2c(nn(c2NC(=O)c2ccc(OC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053531	452.526	QSGUAQUPMDHHDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143460
S1Cc2c(nn(c2NC(=O)c2cc(OC)ccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053530	452.526	CWROESAEPHIGMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143461
S1Cc2c(nn(c2NC(=O)c2cc(OC)cc(OC)c2)CC(=O)NCc2ccccc2)C1	PC-id_44053402	452.526	PLPQTBOEOQVBEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143462
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053401	452.526	OIPNFIJNVKWLIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143463
S1Cc2c(nn(c2NC(=O)c2c(OC)cccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053529	452.526	UYKAVVJAOJTVIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143464
S1Cc2c(nn(c2NC(=O)c2c(OC)cc(OC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053400	452.526	POZUMSADVZARPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143465
S1Cc2c(nn(c2NC(=O)c2c(OC)c(OC)ccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053339	452.526	MGTAVFQXFUEWIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143466
S1Cc2c(nn(c2NC(=O)COc2ccccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053481	452.526	UPHJNVVCIOAMTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143467
S1Cc2c(nn(c2NC(=O)COc2ccc(OC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053353	452.526	HFFXNUOFMBQCAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143468
S1Cc2c(nn(c2NC(=O)COc2cc(OC)ccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053352	452.526	PFWXTCQSLNVCLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143469
S1Cc2c(nn(c2NC(=O)COc2c(OC)cccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053351	452.526	SRQMDRFDQTZZFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143470
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc(C)c3F)[nH]nc2C1(C)C)c1ccccc1	BindingDB_PC-id_11662430,PC-id_11662430,SCHEMBL1367121,BindingDB-id_218946	452.528	HFFQRHOHAQBIAM-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143471
O=C(c1ccc(cc1)N1CCNCC1)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4289180,PC-id_68988757	452.529	AKTXURGKGGEOPR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143472
O=C(c1ccc(cc1)N1CCNCC1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24751468,SCHEMBL4289178	452.529	AQJQUZUGFLCJOK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143473
O=C(N1CCN(CC1)CCc1sc2c(c1C)COC2=O)Cc1ccc(cc1)n1cnnn1	PC-id_57331457,SCHEMBL15196740	452.529	NJIPRNUEDFGNMU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143474
c1(NC(=O)C(C)N(c2ccc(cc2)OC)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OC	EMOLS-id_31276779,PC-id_51042848,MCULE-7956818047	452.544	ZJHHXRUEFXHFGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143475
CCOc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)C	ZINC22_408621822	452.544	PBGYKKBBGCTYHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143476
CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)C)cc1	ZINC22_408604696	452.544	HRVVAAXLWILFMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143477
CCOC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408617117	452.544	HREGTNPHJRKPSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143478
CCOC(=O)c1c(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408622723	452.544	QUAMBXJVBWIWMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143479
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408627298	452.544	ZFPSKCALXVZDEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143480
COC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(=O)(=O)C)sc2c1CCC2	PC-id_52207040,ZINC22_44859823	452.544	ZJHHXRUEFXHFGY-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143481
COC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_44859826,PC-id_52207041	452.544	ZJHHXRUEFXHFGY-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143482
COC(=O)c1c(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408624734	452.544	UCEYWVVNDYQZDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143483
O=C(C1CCc2c1ncs2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1cncc(c1)F)O	PC-id_44466086,SCHEMBL12877754	452.544	SDGJDDWRWOUUQV-WNMUNSQNSA-N	00000010100000111001000010000000000000000000000000000000	25-01-143484
O=C([C@@H]1CCc2c1ncs2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)C(c1cncc(c1)F)O	SCHEMBL1155547,PC-id_66924469	452.544	SDGJDDWRWOUUQV-BRUIZWGISA-N	00000010100000111001000010000000000000000000000000000000	25-01-143485
O=C([C@@H]1CCc2c1ncs2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1cncc(c1)F)O	SCHEMBL1155545,PC-id_66924467	452.544	SDGJDDWRWOUUQV-DZCCDHAISA-N	00000010100000111001000010000000000000000000000000000000	25-01-143486
s1c2CCC(c2nc1)C(=O)Nc1ccc(CC2NC(CC2)C(O)c2cc(F)cnc2)cc1	PC-id_77217785	452.544	SDGJDDWRWOUUQV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-143487
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)C(CC)c1ccccc1	PC-id_44053728	452.544	IIBDMFXLUGOPFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143488
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)CCCc1ccccc1	PC-id_44053730	452.544	JAXJFMCLWKEZQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143489
Cc1ccc(S(=O)(=O)c2cc(C(=O)c3ccccc3)n3c(=O)/c(=C/N(C)C)/sc23)cc1	ZINC22_32709446	452.546	XRTHRRYDOJNQRY-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-143490
CN(C=c1sc2n(c1=O)c(cc2S(=O)(=O)c1ccc(cc1)C)C(=O)c1ccccc1)C	EMOLS-id_26189211,MCULE-5092139943	452.546	XRTHRRYDOJNQRY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143491
OCCCCn1c(CN2c3ccccc3C3(C2=O)CN(C3)C(=O)OC(C)C)nc2c1CCC2	SCHEMBL16812471,PC-id_118155331	452.546	FAQWJXQIRDDGIT-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-143492
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1sc(c2ccccc2)cc1)C(=O)N	PC-id_46827570	452.546	LDTKBGCMYXRYDM-ZRDIBKRKSA-N	00000010100100110000100010000000000000000000000000000000	25-01-143493
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1sc(c2ccccc2)cc1)C(=O)N	PC-id_75214186	452.546	LDTKBGCMYXRYDM-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-143494
CC(C)C(C(=O)NO)N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C	SCHEMBL8015269,PC-id_88236816	452.548	YIMISAJNTRXJTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143495
CC(C)C(C(=O)NO)N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C	PC-id_88236814,SCHEMBL8015264	452.548	UPQPDCSZULQZEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143496
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	MCULE-4984402079,ZINC22_9595620,EMOLS-id_11704674,PC-id_16289308,CoCoCo_3218569	452.548	STQKJBVEASSKHL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-143497
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_144742155	452.548	CHMDXZHKBLOCNU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-143498
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1sc2c(n1)CN(C2)C(=O)OC(C)(C)C	PC-id_144742218	452.548	JRCJKLOQAYHRPB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-143499
O=C(C1CCCN(C1)S(=O)(=O)c1c(C)noc1C)NNC(=O)c1sc2c(c1)CCC2	MCULE-2400029331,EMOLS-id_44004037,PC-id_45860044	452.548	OUGTXUZHGMUHPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143500
O=C([C@@H]1CCCN(C1)S(=O)(=O)c1c(C)noc1C)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_4348226,PC-id_27684813	452.548	OUGTXUZHGMUHPB-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143501
O=C([C@H]1CCCN(C1)S(=O)(=O)c1c(C)noc1C)NNC(=O)c1sc2c(c1)CCC2	PC-id_27684814,CoCoCo_4348225	452.548	OUGTXUZHGMUHPB-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143502
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)C(C)C	SCHEMBL8030876	452.548	YIMISAJNTRXJTB-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143503
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)C(C)C	SCHEMBL8025844	452.548	UPQPDCSZULQZEB-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143504
CS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2)Cc1ccc(cc1)C#N	PC-id_134171033,SCHEMBL19772213	452.549	BPLSGGCRJCSOOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143505
c1(c2CCCc2sc1NCc1ccccc1OCC)C(=O)Nc1ccc(cc1OC)OC	PC-id_5046640,EMOLS-id_16406086,MCULE-2574947636,CoCoCo_2720359	452.566	ZSMDVOSAGIYKFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143506
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)C2CC2)nn1)C(=O)OCC	PC-id_23764796	452.571	NTOUHRCATFSUKW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-143526
c1(c2CCCc2sc1NCc1ccc(cc1)OCC)C(=O)Nc1c(OC)ccc(OC)c1	MCULE-7928043360,PC-id_3148508,CoCoCo_306032,EMOLS-id_1439545,ZINC22_3065936,BAS-03715652	452.566	DSYJJVNQLSTMJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143507
c1(c2CCCc2sc1NCc1ccccc1OCC)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_3065934,PC-id_3148507,BAS-03715650,CoCoCo_306030,EMOLS-id_1439541,MCULE-9015849359	452.566	NFESBSNLBRJBBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143508
c1(c2CCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1ccc(cc1)OCC	MCULE-8272567586,PC-id_1166855,ZINC22_920845,EMOLS-id_1439557,BAS-03715661,CoCoCo_306038	452.566	CBOPTTNMYOICFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143509
c1(c2CCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1ccccc1OCC	ZINC22_920860,EMOLS-id_1439571,PC-id_1166866,MCULE-3842235274,BAS-03715672,CoCoCo_306045	452.566	BROBESDDIFORRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143510
c1(c2CCCc2sc1NCc1cc(OC)ccc1OC)C(=O)Nc1ccccc1OCC	PC-id_3287301,CoCoCo_2720388,EMOLS-id_16406130,MCULE-4947482779	452.566	CCPDRWZQRRHMNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143511
c1(c2CCCc2sc1NCc1cc(OC)ccc1OC)C(=O)Nc1ccc(cc1)OCC	PC-id_4373769,EMOLS-id_9919710,CoCoCo_2720374,MCULE-9201802919	452.566	FTQOABIPBHITHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143512
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339243,MCULE-7402263994	452.566	YGVOXXLIAWSQJS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143513
c1(NC(=O)CCCOc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8126462541,EMOLS-id_334337195	452.566	SVLIKDUNAJZYPH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143514
c1(NC(=O)C(C)Oc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7570017371,EMOLS-id_334338986	452.566	FECRGOTWUWWRJO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143515
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9835311363,EMOLS-id_334336683	452.566	URQAWJPRGPFLLT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143516
s1c2c(CCC2)c(c1NCc1cc(OC)c(OC)cc1)C(=O)Nc1c(OCC)cccc1	PC-id_4517027	452.566	GEYRQLVRSMTRTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143517
c1(NC(=O)COc2cccnc2NC(=O)CCC2CCCCC2)sc2c(CCC2)c1C#N	MCULE-7587894990,EMOLS-id_321802622	452.569	KMUOIWACPDSRHZ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-143518
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331923733,MCULE-5411073638	452.569	KGUMLQBDMIYKCL-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-143519
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CC)sc2CCCc2c1C#N	EMOLS-id_331926038,MCULE-2414738661	452.569	JSYHDLQBZHYARA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-143520
s1c2c(CCC2)c(c1NC(=O)CCN1C(CN(CC1)c1ccc(cc1)C(=O)OC)C)C#N	PC-id_56312332	452.569	HICBDIVHKBTAQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143521
s1c2c(CCC2)c(c1NC(=O)CN1CCCN(CC1)c1ccc(cc1)C#N)C(=O)OCC	PC-id_55850447	452.569	YSHAVJZDBYWWJJ-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-143522
s1c2c(CCC2)c(c1NC(=O)CN1CCCN(CC1)c1c(cccc1)C#N)C(=O)OCC	PC-id_60511129	452.569	FPKOHYVMSQYFGS-UHFFFAOYSA-N	00000010100000110101100010000000000000000000000000000000	25-01-143523
CN(C)c1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324829426	452.571	ROTSVNSUIUDBFX-ULJHMMPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143524
n12nc(nc1sc(=Cc1ccc(cc1)N(C)C)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-4403576813	452.571	ROTSVNSUIUDBFX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143525
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccs1)C	SCHEMBL1206405,PC-id_24765802	452.572	BZNDONSDLDKNSH-QGZVFWFLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-143527
c1(NC(=O)CCC(=O)c2cccs2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334327978,MCULE-5533914243	452.589	PTDHFPJQYOGYJN-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-143528
O(C[C@@H](O)C[NH+](Cc1ccccc1)C)c1cc(C[NH2+]Cc2n[nH]c3c2CCC3)ccc1OC	PC-id_42194369	452.589	OXIOYPJCBMIFFY-NRFANRHFSA-P	00000010100000110001000010000000000000000000000000000000	25-01-143529
O(C[C@H](O)C[NH+](Cc1ccccc1)C)c1cc(C[NH2+]Cc2n[nH]c3c2CCC3)ccc1OC	PC-id_42194371	452.589	OXIOYPJCBMIFFY-OAQYLSRUSA-P	00000010100000110001000010000000000000000000000000000000	25-01-143530
O(CCN1CCN(CC1)c1ccccc1)CCN1C(=O)c2c(c(n(c2C)CCCC)C)C1=O	PC-id_10742294	452.589	XYIAPLNQFHWNHU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143531
O(CC(O)C[NH+](Cc1ccccc1)C)c1cc(C[NH2+]Cc2n[nH]c3c2CCC3)ccc1OC	PC-id_74778198	452.589	OXIOYPJCBMIFFY-UHFFFAOYSA-P	00000010100000110001000010000000000000000000000000000000	25-01-143532
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)n(C(C)(C)C)nc2CS(=O)Cc12	EMOLS-id_5442991,PC-id_2160454,ChEMBL-DNDi_CHEMBLF0561-0712,MCULE-2250861704	452.591	VJCOSZRVZKZHGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143533
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)N1CCCCC1	PC-id_89238625,SCHEMBL14057398	452.591	HHQOJUQAIAUTPF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-143534
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1	ZINC22_6184118,PC-id_40592276,CoCoCo_4985555	452.591	VJCOSZRVZKZHGV-LJAQVGFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143535
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1	ZINC22_6184119,PC-id_40592277,CoCoCo_4985556	452.591	VJCOSZRVZKZHGV-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143536
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1C(CCCC1)CNC(=O)Nc1ccccc1)C#N	PC-id_75918270	452.592	NFHCOMZCISJUBO-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-143537
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1[C@@H](CCCC1)CNC(=O)Nc1ccccc1)C#N	PC-id_52759050	452.592	NFHCOMZCISJUBO-SFHVURJKSA-O	00000010100010110000000010000000000000000000000000000000	25-01-143538
s1c2c(CCC2)c(c1NC(=O)CC[NH+]1[C@H](CCCC1)CNC(=O)Nc1ccccc1)C#N	PC-id_52759052	452.592	NFHCOMZCISJUBO-GOSISDBHSA-O	00000010100010110000000010000000000000000000000000000000	25-01-143539
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(n(nc1C)c1ccccc1)C)C)C)C(=O)N	PC-id_41135567	452.592	HBNKKATWZSQGIQ-INIZCTEOSA-O	00000010100000110001100010000000000000000000000000000000	25-01-143540
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(n(nc1C)c1ccccc1)C)C)C)C(=O)N	PC-id_41135569	452.592	HBNKKATWZSQGIQ-MRXNPFEDSA-O	00000010100000110001100010000000000000000000000000000000	25-01-143541
s1c2c(CCC2)c(c1NC(=O)C([NH+](Cc1c(n(nc1C)c1ccccc1)C)C)C)C(=O)N	PC-id_74748677	452.592	HBNKKATWZSQGIQ-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-143542
S1Cc2c(nn(c2NC(=O)c2c(SC)cccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053886	452.592	BMYUKCBGBAUZJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143543
S1Cc2c(nn(c2NC(=O)c2c(SCC)cccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053457	452.592	TVDOVLKAWGXJKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143544
S1Cc2c(nn(c2NC(=O)CSCc2ccccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053436	452.592	VXWLVVRNJRGSHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143545
Cc1ccc(CCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1C	MCULE-7176563092,EMOLS-id_335755198	452.596	BFRGGGGDTCSZPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143546
s1c2CCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(C(C)(C)C)cc1)C#N	PC-id_24336864	452.596	KLPKSEJNWNOERV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143547
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2126223453	452.609	BWQBKDNUDNJMBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143548
CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334334886	452.609	BWQBKDNUDNJMBP-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143549
C/N=C(c1c(N=C)sc2c1CCC2)/N[C@@H]1CC[C@H](CC1)N(Cc1ccc(cc1)C(=O)O)C	SCHEMBL19523720	452.612	CIUWUIZMQSFANQ-WGSAOQKQSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143550
c1(NC(=O)C2CCC(CC2)CCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330030,MCULE-1503131738	452.652	HSRGFHSFKBHQDX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143551
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccccc3Cl)/c(=O)n2n1	EMOLS-id_324914697	452.741	VOJLMXZFWILQTM-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143552
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(Cl)cc3)/c(=O)n2n1	EMOLS-id_324913671	452.741	CRGLGIVBHJHGOO-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143553
ClC(Cl)(Cl)c1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324911109	452.741	WJIWIEJCWGPOHX-GDNBJRDFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143554
n12c(=O)c(=Cc3ccccc3Cl)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-2823623091	452.741	VOJLMXZFWILQTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143555
n12c(=O)c(=Cc3cccc(c3)OCc3ccccc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7147713164	452.741	WJIWIEJCWGPOHX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143556
n12c(=O)c(=Cc3ccc(Cl)cc3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-7201624832	452.741	CRGLGIVBHJHGOO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143557
Br/C=C/C(=Cc1c(C)n(c2c1CCC2CC(=O)O)Cc1ccc(cc1)Cl)/F	PC-id_143311070	452.744	WPURUAXYWKBZJP-WRFVMNGSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143558
CCCCCCCCCCC1=CS(=O)(=O)c2c1scc2CCCCCCCCCC	PC-id_66925042,SCHEMBL1156831	452.756	DSHOAKXKOMPPNW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-143559
C=CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	PC-id_21880996,SCHEMBL2917332	452.767	OKWVSBAZHNQULU-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-143560
C=CCOc1c(cc(cc1C(C)(C)C)C)[Si](C1c2sc(cc2C(=C1C)C)C)(CC)CC	SCHEMBL2920947,PC-id_21880988	452.767	POMXUIITLXLIKQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-143561
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c([N+](=O)[O-])cc1	PC-id_24352743	452.865	BRIUTINZGPGQLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143562
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc([N+](=O)[O-])c1	PC-id_45684181	452.865	RMEAFZHJLJYKLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143563
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc([N+](=O)[O-])cc1	PC-id_24362852	452.865	GPGNFNRPKNMXFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143564
Clc1c([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_24362153	452.865	QDKUYTXFWPZSRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143565
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cccc(Cl)c1	SCHEMBL19901021,PC-id_134285296,BindingDB-id_799380	452.894	ADNKPMDAWIZEHE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143566
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OC)cc1N	PC-id_16529469	452.909	FNLWZLFYQFKKMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143567
Clc1c(OCC)c(OC)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_41145619	452.909	XLZRRDSTFYBUSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143568
Clc1nnc(N(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc1	PC-id_55649055	452.912	XNESLNBXMFWWJU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-143569
c1(NC(=O)COc2cccnc2NC(=O)c2ccccc2Cl)sc2c(CCC2)c1C#N	MCULE-5561963956,EMOLS-id_321805436	452.913	PRZOVMXKWWSPFB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143570
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-3525899187,EMOLS-id_321805692	452.913	RGQPRIHJJWJKQS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143571
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(Cl)cc2)sc2c(CCC2)c1C#N	MCULE-2254589785,EMOLS-id_321805948	452.913	OJAWLUNBBMKECU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143572
Clc1nc(NC(=O)NS(=O)(=O)c2c3S(=O)(=O)C(Cc3sc2)C)nc(OC)c1	SCHEMBL9834664,PC-id_14153190	452.914	FAYZXSZGFOAPIL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-143573
CC(C)C(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl)CCC2	CoCoCo_2879737,ZINC22_3424222,PC-id_2543527	452.927	YGQSOFUQIOSDFR-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-143574
CC(C)C(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1Cl)CCC2	ZINC22_3424226,PC-id_2543531,CoCoCo_2879738	452.927	YGQSOFUQIOSDFR-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143575
Clc1c(NC(=O)C(OC(=O)c2c3CCCc3sc2NC(=O)C(C)C)C)ccc(F)c1	EMOLS-id_3309679,PC-id_4876284,MCULE-3268554438	452.927	YGQSOFUQIOSDFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143576
Clc1ccc(cc1)N1CC(CC1=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109428	452.933	BUSIQEBGRWRREE-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-143577
CO[C@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)CCl)CC)c1ccccc1	SCHEMBL18471599	452.933	ZKMAWBMBQAOCCM-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143578
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(cc1)Cl)C	SCHEMBL18758443	452.933	YXJYNTRAAPCVAR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143579
CC(=O)NCc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)c1ccc(cc1)Cl)CCC2	PC-id_112818825	452.953	QMUUCCARUGIOHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143580
Clc1ccc(OC(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)(C)C)cc1	PC-id_44052952	452.955	BAYQLUAGVYHTPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143581
c1(NC(=S)NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-6411758788,PC-id_19188868	452.975	KGMNWIUZSCORLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143582
Clc1ccc(SCCCC(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_41272462	452.975	DQOUPLKQIVKQEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143583
Clc1ccc(SCCC(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_24496427	452.975	CBCHVYVGWXFRPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143584
NC(=O)c1c(NC(=O)COC(=O)CCCSc2ccc(Cl)cc2)sc2c1CCC2	MCULE-2233823655,ZINC22_2652622,PC-id_2115967,CoCoCo_2811977,EMOLS-id_3223616	452.975	APLFHVHKXWZUCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143585
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1CN(CCO1)SN	PC-id_135200440,SCHEMBL20354027	452.978	ZYISOXSLNSCZKP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143586
c1(NC(=O)c2c(Cl)cnc(SC)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_2982489,ChEMBL-DNDi_CHEMBL7984231,EMOLS-id_2011538,MCULE-3972786379,TIMTEC206585	452.978	HYMBMCIXJUOCDF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-143587
CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)n1	CoCoCo_573447,PC-id_1257950,ZINC22_1069382	452.978	HYMBMCIXJUOCDF-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-143588
CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)n1	CoCoCo_573448,PC-id_1257949,ZINC22_1069381	452.978	HYMBMCIXJUOCDF-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-143589
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2994452518,EMOLS-id_334329775	452.996	WHGIEBSLTUBXEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143590
C1CC2=C(C(=C(N2C1)C(=O)C(=O)N(C3CC(C3)O)C4=CC(=C(C=C4)F)Cl)Cl)C(=O)N	PC-id_153292996	453.066	OHSHGOLZSZTFJH-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-143591
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3Cl)SC4=CN(N=C4)CC(F)F	PC-id_164872197	453.084	IUVWZCMXCJVHHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143592
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3Cl)SC4=NN(C=C4)CC(F)F	PC-id_164871975	453.084	YQBUDKJSYQEWJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143593
Clc1c2n([NH+](CCCNOC=C(CCCCCCCC)CCCCCC)C=N2)nc1C	PC-id_73704796	453.084	OSUMDSPPOFHOKQ-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-143594
C1CC2=C(C(=C(N2C1)C(=O)C(=O)N([C@H]3COC[C@@H]3O)C4=CC(=C(C=C4)F)F)Cl)C(=O)N	PC-id_153293000	453.09	MZLOEBAQRSIKHA-KBPBESRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143595
CC1=CC=CC=C1CC(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=NN(C=C4)CC(F)(F)F	PC-id_164872331	453.108	NQGFVAPUYFNZCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143596
CN1C(=NN=C1OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)CC4CCS(=O)(=O)C4	PC-id_155097927	453.114	BRDFVLFUWIEOKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143597
CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC3)CC(=O)C4CCCCC4C(=O)O	PC-id_148525790	453.161	MPHUZJPIZHXQNH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143598
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)c(Br)cc(N)c1	PC-id_61508006	453.173	HCEWLQHRPYDFAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143599
Brc1c(S(=O)(=O)Nc2sc3CCCc3n2)c(N)cc(Br)c1	PC-id_61508044	453.173	WKQHDWCPSIGFTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143600
C1CN(CCC1COC2=CC=C(C=C2)CCl)C3=CC=C(C=C3)OCC4CN5C=CN=C5O4	PC-id_153729007	453.182	NVNTZXRWAGJZML-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143601
CC(C)(C)OC(=O)CCCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)OC)Cl	PC-id_165036204	453.192	AQGRLGFKNQYIKI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-143602
CCCCCCC(C[N+]1([O-])Cc2c(C1=O)c(sc2Br)Br)CC	SCHEMBL17201476,PC-id_118468521	453.232	APHPGPGSTHJOIK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-143603
O=C(c1sc(c2c1CCC2)C(=O)O)C=C(C(F)(F)F)c1cc(Cl)c(c(c1)Cl)F	PC-id_140659776	453.235	HXPAIRPGEIOBIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143604
Clc1cc(Cl)cc(c1)C(C(F)(F)F)(CC(=O)c1sc(c2c1CCC2)C(=O)O)O	PC-id_140659777	453.26	UWWKFBMPJYLJPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143605
Brc1oc(c2oc(=O)n(n2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_3863234	453.267	GKPXBACKBZBMAU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-143606
Brc1ccc(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_4240805	453.307	OMRYNXVKXAYCSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143607
Brc1cc(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(O)cc1	PC-id_75859968	453.307	NSFRJQPWILSJCY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143608
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cnc1	PC-id_2694723	453.307	GBHOJSLGJPAOJE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-143609
Brc1cc(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(O)cc1	PC-id_52500075	453.307	NSFRJQPWILSJCY-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143610
Brc1cc(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(O)cc1	PC-id_52500077	453.307	NSFRJQPWILSJCY-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143611
Brc1cc(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_24349514	453.307	VILWRDAHTCLIDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143612
Brc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(OC)cc1	PC-id_3959988	453.307	BMQCFQOIKIUXFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143613
Brc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(c1)C(=O)OC	PC-id_39036083	453.307	MLTPWCCCLGDGCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143614
Ic1c(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)cccc1	PC-id_4955471	453.32	XRPLJKKMGHHWLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143615
N#Cc1c(NC(=S)NC(=O)c2cccc(c2)I)sc2c1CCC2	PC-id_105534389	453.32	APJCKYKNHCZKIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143616
Cc1cc(Br)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)C(=O)O	MCULE-6348527010,EMOLS-id_328223088	453.328	UNZLDVYHBAEAFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143617
Brc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccccc1	SCHEMBL2917739,PC-id_68440414	453.332	XUXADBUBGWZOFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143618
Clc1c(/C=C/C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1Cl	PC-id_24498637	453.339	FTQQHXHIRLTTDJ-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143619
Clc1c(C=CC(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1Cl	PC-id_74287797	453.339	FTQQHXHIRLTTDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143620
Ic1c(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cccc1	PC-id_44060376	453.34	OPGAPEYSNPSHIG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143621
Brc1c(OCCC)c(OC)cc(C(=O)NNC(=O)c2sc3CCCc3c2)c1	PC-id_38846129	453.35	BEQYXFHYBMSFDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143622
c1(NC(=O)CCc2cc(OC)c(cc2Br)OC)sc2c(CCC2)c1C(=O)N	MCULE-4173811281,PC-id_2071406	453.35	WHGOLLOFOAOLNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143623
Brc1ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_54792132	453.373	VTAPRQFEBDTZJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143624
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_54791710	453.373	NSCWTMCAXJIVRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143625
c1(NC(=S)NC(=O)c2ccccc2Br)sc2c(CCC2)c1C(=O)OCC	MCULE-6821871998,EMOLS-id_2189992,ZINC22_1165355,STOCK1S-90477,CoCoCo_879333,PC-id_1332800	453.373	WSAZYXQIIOBXPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143626
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9937065648	453.382	LRIJWRYQXAIJOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143627
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-9226482289	453.382	HDJNSAQBFWPION-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143628
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2CCCc12	EMOLS-id_334385173	453.382	LRIJWRYQXAIJOT-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143629
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2CCCc12	EMOLS-id_334387222	453.382	HDJNSAQBFWPION-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143630
Fc1ccc(cc1)Oc1nnnn1c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117993851,SCHEMBL16618221	453.383	VSOQMLPUXNIKCH-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143631
COC(=O)[C@H]1C(c2ccc(n2C1=O)CC(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC	PC-id_134843339	453.397	LUDHQXKKRMKRSF-ABLWVSNPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-143632
FC(F)(F)c1ccc(CC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5544750,PC-id_69481833	453.415	WKVZBBJCOQCSHT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143633
FC(F)(F)c1ccc(C(=O)NC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77659678	453.415	CXHYEJYNXUZJFP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143634
FC(F)(F)c1ccc(C(=O)NC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5541965,PC-id_69481264	453.415	CXHYEJYNXUZJFP-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-143635
COC(=O)c1c(NC(=O)COC(=O)/C=Cc2cccc(c2)C(F)(F)F)sc2c1CCC2	CoCoCo_2931229	453.432	NGLBOLDDRAIAFH-HJWRWDBZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143636
COC(=O)c1c(NC(=O)COC(=O)C=Cc2cccc(c2)C(F)(F)F)sc2c1CCC2	MCULE-6682535704,EMOLS-id_43726226,PC-id_4178301	453.432	NGLBOLDDRAIAFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143637
COC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCC2	ZINC22_3245868,PC-id_2363123,CoCoCo_2931228	453.432	NGLBOLDDRAIAFH-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143638
FC1CCN(C(=O)N2C(c3[nH]nc(NC(=O)c4ccc(cc4)C(F)(F)F)c3C2)(C)C)CC1	PC-id_10321661	453.433	FTJIVRHXYPYSGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143639
FC(F)(F)c1cccc(c1)c1ccc(/C=c/sc3nc(Cc4ccccc4)nn3c2=O)o1	ZINC22_28166520,EMOLS-id_46397866	453.436	WWCQFSKHRJUFNN-CPNJWEJPSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143640
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)Cc1ccccc1	MCULE-8022227372	453.436	WWCQFSKHRJUFNN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143641
O=c1/c(=C/c2ccc(o2)c2cccc(c2)C(F)(F)F)/sc2n1nc(n2)Cc1ccccc1	EMOLS-id_45958943	453.436	WWCQFSKHRJUFNN-UYRXBGFRSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143642
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1ccn[nH]1)C(=O)Nc1c(cc(cc1)F)F	SCHEMBL20259520,PC-id_134604962	453.441	WEUJLLISZUUXQY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143643
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(OC(F)F)cc1)C(=O)OCC	PC-id_33351152	453.456	ATTADWPXACTATD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143644
FC(F)(F)c1ccc(CCNC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5537931,PC-id_69479973	453.458	AQADAWHOJTYZKU-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143645
FC(F)(F)c1ccc(CCNC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5537936,PC-id_23081243	453.458	AQADAWHOJTYZKU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143646
FC(F)(F)c1ccc(CN2CCN(CCCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481387,SCHEMBL5542623	453.458	YXKHJPJEHOEQCS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143647
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2F)F)sc2c(CCC2)c1C#N	MCULE-3972055541,EMOLS-id_323184050	453.461	FVQCMIRPFHRIOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143648
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(F)c(F)c2)sc2c(CCC2)c1C#N	EMOLS-id_323195277,MCULE-4617526167	453.461	OGHDDGAFWXJPPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143649
c1(NC(=O)COc2cccc(c2)NC(=O)c2cc(F)ccc2F)sc2c(CCC2)c1C#N	MCULE-6924472052,EMOLS-id_323176637	453.461	FIHKHNFLPSKINO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143650
CC(C)(C)OC(=O)N1Cc2c(C1C(=O)N(c1ccc(cc1)n1ccccc1=O)F)cnn2C	SCHEMBL4598659,PC-id_87697406	453.466	PIADIZPKOSHNGT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-143651
Fc1c(NC(=O)C2N(Cc3n(ncc23)C)C(=O)OC(C)(C)C)ccc(n2c(=O)cccc2)c1	PC-id_77605072	453.466	UOXPLAOMMVATSD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-143652
Fc1c(NC(=O)[C@@H]2N(Cc3n(ncc23)C)C(=O)OC(C)(C)C)ccc(n2c(=O)cccc2)c1	PC-id_69109321,SCHEMBL4598652	453.466	UOXPLAOMMVATSD-HXUWFJFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-143653
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)Nc1oc(c(c1C#N)C)C	PC-id_24594241	453.468	FQHZPPUHLLLZEC-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-143654
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC(=O)c2occc2)cccc1)C(=O)N	PC-id_3257907	453.468	YPBXEQFNEWSYDZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-143655
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)OC)sc2CCCc2c1C#N	EMOLS-id_333650064,MCULE-2454308398	453.471	BCUZMNVZWGUUAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143656
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(OC)c2)sc2CCCc2c1C#N	MCULE-3456287769,EMOLS-id_333651857	453.471	HTWDHBRLFIYDEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143657
c1(NC(=O)COc2nonc2CC(=O)NCc2ccc(O)cc2)sc2CCCc2c1C#N	MCULE-2026603340,EMOLS-id_333686098	453.471	HVJSNCZIZCCOBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143658
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)OCC)sc2CCCc2c1C#N	MCULE-3659494246,EMOLS-id_333677557	453.471	DWMNRJAXAXYNKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143659
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(OC)cc2C)sc2CCCc2c1C#N	EMOLS-id_333680376,MCULE-9529308832	453.471	GSHNWLOGXDHZBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143660
c1(NC(=O)COc2nonc2C(=O)NCc2ccc(OC)cc2)sc2CCCc2c1C#N	MCULE-2726416749,EMOLS-id_333717053	453.471	OIIJRVDEGRTMNL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143661
S1Cc2c(nn(c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCc2occc2)C1	PC-id_44053324	453.471	PXXNDIGOMBNGSO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-143662
Cn1nc(c2c1CCC2)CN(S(=O)(=O)Cc1ccc(cc1)C(F)(F)F)Cc1ccco1	PC-id_92109643	453.478	PYIWWQIMBYMVOX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-143663
O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1ccc(OC(F)(F)F)cc1	PC-id_16394063,MCULE-6102429293,CoCoCo_3875040,ZINC22_34895962	453.478	YSZNXKBVSPZSAI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143664
S(=O)(=O)(O)c1ccc(n2ncc(c2N/N=C/2C(=Nn3nc(nc23)C)C(C)(C)C)C#N)cc1	PC-id_21032600	453.478	LJFGEOLZVADMSE-HZHRSRAPSA-N	00000011100000110001100010000000000000000000000000000000	25-01-143665
S(=O)(=O)(O)c1ccc(n2ncc(c2N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)C#N)cc1	PC-id_58650659	453.478	LJFGEOLZVADMSE-HAHDFKILSA-N	00000011100000110001100010000000000000000000000000000000	25-01-143666
S(=O)(=O)(O)c1ccc(n2ncc(c2NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)C#N)cc1	PC-id_73735500	453.478	LJFGEOLZVADMSE-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-143667
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ncc(cc1)C(F)(F)F)C(=O)N	PC-id_38522887	453.481	CAQYQJXLOMOSRI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-143668
COC(=O)c1c(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)sc2c1CCC2	CoCoCo_2960571,PC-id_2374495,MCULE-7313350289,ZINC22_3257777,EMOLS-id_43735434	453.483	VOSNUKGEBCKGHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143669
Fc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N(C)C)cc4)c3C2)(C)C)c(F)ccc1	SCHEMBL1983920,PC-id_24947322	453.484	QEUMMNNTABHCQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143670
c1(C(F)F)c2CCCc2n(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2sccn2)n1	TIMTEC145393,MCULE-2636365416,PC-id_19591214,EMOLS-id_8867970,ZINC22_36614182	453.486	FHVGUSNIYVASSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143671
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_16947260	453.486	HPXPZJIBOXGNFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143672
Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1nncs1	SCHEMBL21378228,PC-id_139507370,BindingDB-id_980733	453.489	FBGCYDPEMKAUQO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143673
COc1ccc(cc1)CN1C(=O)c2c(C1=O)n(c(=O)n2Cc1ccccc1)Cc1ccccc1	SCHEMBL5875455,PC-id_13449206	453.489	RPANLOSBZQVDDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143674
COc1ccc(S(=O)(=O)N)cc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4844925,CoCoCo_2897132,MCULE-7744000008,EMOLS-id_3414940,ZINC22_9441124	453.489	AAXOXNILQJTWDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143675
COC(=O)c1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408614652	453.489	FYXDEAOCEOJRNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143676
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N)c(OC)cc1)C(=O)N	PC-id_42984439	453.489	MGRQWEGVHYJJLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143677
CCc1ncccc1C(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_68967167,SCHEMBL4232696	453.493	GMISNCCDLCXUMY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-143678
CC(Oc1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC1CC(C1)(F)F)S(=O)(=O)C)C	SCHEMBL17214228,PC-id_118479380	453.503	LYFBFONFWCCFLR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143679
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(OCC)c(OC(F)F)cc1)C)C(=O)N	PC-id_46406387	453.503	XKQUMQWBDVKITF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143680
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_16947911	453.511	VCIXNFOVDBLFHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143739
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1cc(OC)c(OC(F)F)cc1)C)C)C(=O)N	PC-id_55433753	453.503	ONWLWEAXKWIDOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143681
NC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)sc2c1CCC2	EMOLS-id_43812116,ZINC22_32971028,MCULE-4512045513,CoCoCo_3218636,PC-id_40201069	453.508	VDYYXZFQTWOVTD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143682
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)OCC)n2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_9847480,TIMTEC364666,MCULE-8175807911,CoCoCo_6264129,ZINC22_8917686,PC-id_16447215	453.511	OSNMGYFIMVTEAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143683
CCc1cccc(OCc2nc3s/c(=Cc4cc(OC)c(OC)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324889096	453.511	DGEUBHWWIQMYBU-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143684
CCc1ccc(OCc2nc3s/c(=Cc4cc(OC)c(OC)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324883983	453.511	VLHVEZSLFXLXFV-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143685
CCCOc1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1OC	EMOLS-id_324870146	453.511	OMTRGCNYDZOXBA-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143686
CCCOc1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1OC	EMOLS-id_324876292	453.511	UEKAOEHCFISRIC-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143687
CCOc1cc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)ccc1OC	EMOLS-id_324923916	453.511	OTFNAUAXSQZTGI-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143688
CCOc1cc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)ccc1O	EMOLS-id_324892681	453.511	MRILKGCUJHISAH-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143689
CCOc1cc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)ccc1O	EMOLS-id_324893184	453.511	RMEJCSWFIPRIFU-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143690
CCOc1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1OC	EMOLS-id_324926988	453.511	HHTIZGCDDZTQKS-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143691
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1OCC	EMOLS-id_324873217	453.511	JCKHRTVHKHIEAW-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143692
CCOc1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1OCC	EMOLS-id_324875268	453.511	DOLNRSPTOMGYAU-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143693
CCOc1cccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)c1O	EMOLS-id_324892172	453.511	UNBMBLNISIHHMG-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143694
CCOc1cccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)c1O	EMOLS-id_324892675	453.511	NDAFOJVZBJITOS-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-143695
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(OCC)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324879879	453.511	MEUKGNCYTBJMAZ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143696
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(OC)c(OCC)c4)/c(=O)n3n2)cc1	EMOLS-id_324880902	453.511	BIXBLXAKRCFVES-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143697
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2ccccc2OC)sc2CCCc12	EMOLS-id_328206055,MCULE-6781460771	453.511	HVVIEWIXANKOGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143698
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2cccc(OC)c2)sc2CCCc12	EMOLS-id_328221924,MCULE-4914274868	453.511	ONNHZFXFLKHONO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143699
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2ccc(OC)cc2)sc2CCCc12	EMOLS-id_328216037,MCULE-8804585415	453.511	IDCRDHVZZMHLPI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143700
COc1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324850422	453.511	SRYVPAFMCXWNJR-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-143701
COc1cc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc(OC)c1OC	EMOLS-id_324873735	453.511	AAPVCEWIMBYDIA-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143702
COc1cc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc(OC)c1OC	EMOLS-id_324875786	453.511	PXSNTQGXWODGNK-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143703
COc1cc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc(OC)c1OC	EMOLS-id_324881932	453.511	LUDKMMMDVUKRSD-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143704
COc1ccc(CCc2nc3s/c(=Cc4cccc(OC)c4OC)/c(=O)n3n2)cc1OC	EMOLS-id_324894220	453.511	XZMXDHMUBOBGMB-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143705
COc1ccc(CCc2nc3s/c(=Cc4ccc(OC)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324891145	453.511	HEYWQUGQLMOJQI-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143706
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(OC)c4OC)/c(=O)n3n2)cc1	EMOLS-id_324890628	453.511	FKUYQTMQTQBGOB-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-143707
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(OC)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324891648	453.511	RWUIESZETISSGR-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143708
COc1ccc(OCCCc2nc3s/c(=Cc4cc(OC)ccc4OC)/c(=O)n3n2)cc1	EMOLS-id_324891140	453.511	STAAFRLBPAESAG-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143709
COc1ccc(OC)c(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)c1	EMOLS-id_324890637	453.511	MXNVLRHKENFNHW-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143710
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-7491995785	453.511	MXNVLRHKENFNHW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143711
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CCCOc1ccc(OC)cc1	MCULE-5390027790	453.511	STAAFRLBPAESAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143712
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9188618062	453.511	XZMXDHMUBOBGMB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143713
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCCOc1ccc(OC)cc1	MCULE-1877403331	453.511	FKUYQTMQTQBGOB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143714
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3943756264	453.511	UNBMBLNISIHHMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143715
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCCOc1ccc(OC)cc1	MCULE-3567925818	453.511	NDAFOJVZBJITOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143716
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1ccccc1OC	MCULE-7318862312	453.511	OMTRGCNYDZOXBA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143717
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1cccc(OC)c1	MCULE-2044134247	453.511	UEKAOEHCFISRIC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143718
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_16947910	453.511	DQGNRZQXYRYOKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143740
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-6020202288	453.511	HHTIZGCDDZTQKS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143719
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-4126503834	453.511	MEUKGNCYTBJMAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143720
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1ccccc1OC	MCULE-8781655212	453.511	JCKHRTVHKHIEAW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143721
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1cccc(OC)c1	MCULE-4936997744	453.511	DOLNRSPTOMGYAU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143722
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-4912979492	453.511	HEYWQUGQLMOJQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143723
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-3578530811	453.511	RWUIESZETISSGR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143724
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)COc1cccc(C)c1C	MCULE-3823191142	453.511	PXSNTQGXWODGNK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143725
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)COc1cc(C)ccc1C	MCULE-9370693205	453.511	LUDKMMMDVUKRSD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143726
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-4939646695	453.511	OTFNAUAXSQZTGI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143727
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-4264256473	453.511	BIXBLXAKRCFVES-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143728
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-7163422934	453.511	MRILKGCUJHISAH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143729
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-3945605246	453.511	RMEJCSWFIPRIFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143730
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)CCCOc1ccccc1	MCULE-5993784547	453.511	SRYVPAFMCXWNJR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143731
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1ccc(cc1)CC	MCULE-5976424996	453.511	VLHVEZSLFXLXFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143732
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1c(C)cccc1C	MCULE-1993784360	453.511	AAPVCEWIMBYDIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143733
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1cccc(CC)c1	MCULE-6500238145	453.511	DGEUBHWWIQMYBU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143734
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(Cn2nccc2)cc1)C(=O)OCC	PC-id_41591086	453.511	KPOFYZHVYWXVDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143735
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1ccc(N(C)C)cc1)/C#N)C(=O)OC	PC-id_24384324	453.511	HPKJYQONYXNBRB-RVDMUPIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143736
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccc(N(C)C)cc1)C#N)C(=O)OC	PC-id_74267244	453.511	HPKJYQONYXNBRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143737
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(OC)c(OC)cc1	PC-id_16947909	453.511	UDLHEOFYWLFLAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143738
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(OC)cc1	PC-id_16948046	453.511	AKHGMMHGODXOLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143741
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(OC)ccc1	PC-id_16948045	453.511	RVOYCRGUKBDCSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143742
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(OC)cccc1	PC-id_16948044	453.511	UTWLEPKRKHDWLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143743
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)C=Cc1ccc(cc1)OC	MCULE-8482154580	453.512	YZYWPHNOBKJSFC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143744
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1sccc1)C(=O)OC	PC-id_4517054	453.512	CWQNADFGGPHJEI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-143745
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1ncnc(c1F)C)C	PC-id_68668398,SCHEMBL3503256	453.513	ISFDTOJRUMCZKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143746
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc(C)c3F)[nH]nc2C1(C)C)c1ccccc1	PC-id_59474232,BindingDB_PC-id_59474232,SCHEMBL3503255,BindingDB-id_218967	453.513	ISFDTOJRUMCZKX-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143747
O=C(c1ccc(cc1)N1CCOCC1)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	PC-id_68987828,SCHEMBL4287244	453.514	CLCFQSRBONRLPL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143748
O=C(c1ccc(cc1)N1CCOCC1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24751881,SCHEMBL4287240	453.514	HRXVXMHIJWSHKL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143749
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)c1ncc(cc1)C#N)C(=O)N	PC-id_46685068	453.514	OONJDKUXNRJIKA-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-143750
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1)c1ncccc1)C(C)C)C(=O)N	PC-id_46605195	453.514	HNMFCBAUJMBWIE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-143751
S1Cc2c(nn(c2NC(=O)c2noc(c2)c2ccccc2)CC(=O)NCC2OCCC2)C1	PC-id_44053210	453.514	HEARJZJYAHAPCJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143752
s1c2c(CCC2)c(c1Nc1nc(NCCCc2ccccc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127562	453.517	SHEMGOPDINFBES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143753
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1CN1CCN(CC1)C(=O)c1ccco1	EMOLS-id_6890078,CoCoCo_6979267,MCULE-3793595802,ZINC22_19924436,PC-id_984085,SPECS-id_AQ-750/42051190	453.529	BQJXGYKVFRPHBX-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-143754
c1(NC(=O)C(CC)Oc2ccccc2F)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884021,MCULE-9099492969,EMOLS-id_9388447,TIMTEC122594	453.529	DIJLEQHRWYKDAI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143755
c1(NC(=O)C(CC)Oc2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884022,TIMTEC195148,MCULE-6664263801,EMOLS-id_9388449	453.529	HLQFGQJCJQQBFK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143756
CC[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2	CoCoCo_6376977,PC-id_35180930,ZINC22_27793860	453.529	DIJLEQHRWYKDAI-SFHVURJKSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143757
CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2	CoCoCo_6376978,ZINC22_27793856,PC-id_35180927	453.529	DIJLEQHRWYKDAI-GOSISDBHSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143758
CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2	ZINC22_27793866,PC-id_35180933,CoCoCo_6376981	453.529	HLQFGQJCJQQBFK-LJQANCHMSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143759
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2	ZINC22_27793869,PC-id_35180935,CoCoCo_6376980	453.529	HLQFGQJCJQQBFK-IBGZPJMESA-N	00000010100000111000000010000000000000000000000000000000	25-01-143760
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC1CCC1)S(=O)(=O)C	SCHEMBL17214303,PC-id_118479454	453.529	IHRXLOBILVZGBA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-143761
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccc(cc1)Oc1ccccc1)C(=O)O	SCHEMBL13786741,PC-id_57791676	453.531	HNDVPWFQFGLQAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143762
CCOc1c(ccc(c1)C(CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)N)OC	SCHEMBL20579901,PC-id_137355442	453.532	ZDKKZPFEDVICIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143763
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)N)OC	PC-id_137355441,SCHEMBL20579900	453.532	ZDKKZPFEDVICIO-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143764
CCOc1c(ccc(c1)[C@H](CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)N)OC	PC-id_137355517,SCHEMBL20579994	453.532	ZDKKZPFEDVICIO-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143765
c1(NC(=S)Nc2ccc(cc2)c2ccccc2N(=O)=O)sc2c(CCC2)c1C(=O)OC	MCULE-2146669660,TIMTEC574648,EMOLS-id_2245095,PC-id_2212116,ZINC22_2858772,CoCoCo_1003106	453.534	YMRDKMISWMZVDH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-143766
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(Sc2ccccc2)nccc1)C(=O)N	PC-id_45660600	453.534	UMIRJQTWCYHBCH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143767
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322523249,MCULE-1496102647	453.537	OMJDPRKSBZMXMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143768
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccccc2OC)sc2c(CCC2)c1C#N	MCULE-9594783191,EMOLS-id_322525297	453.537	YQXCMZGEIJTUHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143769
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_322524273,MCULE-3248740605	453.537	IPRBINVQUWCSJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143770
CCCCNC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)C(c1ccc(cc1)N1CCCC1=O)C	SCHEMBL2914368,PC-id_68439184	453.537	NQZGQAOCDCGNEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143771
CCOc1ccc(OCc2nc3s/c(=Cc4c(C)nc5scc(C)n45)/c(=O)n3n2)cc1	EMOLS-id_324881411	453.537	HUHWWYLFDWOQRB-MFOYZWKCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-143772
COc1ccc(Cc2nc3s/c(=Cc4c(C)nc5scc(C)n45)/c(=O)n3n2)cc1OC	EMOLS-id_324924425	453.537	QKRBBCJLYGHFMI-MFOYZWKCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-143773
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-3027900422	453.537	QKRBBCJLYGHFMI-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-143774
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1ccc(cc1)OCC	MCULE-6743845556	453.537	HUHWWYLFDWOQRB-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-143775
CCOC(=O)c1c(NC(=O)c2ccc(cc2)N2N=C(CC2=O)C(C)(C)C)sc2CCCc12	EMOLS-id_328149115,MCULE-2067430750	453.554	SJTLVNBMBOKLAS-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-143776
CCOC(=O)c1c(NC(=O)c2ccc(cc2)N2N=C(CC(C)C)CC2=O)sc2CCCc12	MCULE-7664059813,EMOLS-id_328169101	453.554	BPIZOBWQAMNHEB-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-143777
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/1CCC(CC1)c1ccccc1)C(=O)OCC	PC-id_4650453	453.554	JTGZVCQZVMJVQP-ONUIUJJFSA-N	00000010100010110000100010000000000000000000000000000000	25-01-143778
Cc1ccc(CCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_324908034	453.555	NMBZDEKTMYMUHU-ULJHMMPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143779
CCCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324821501	453.555	HWMWEJVDOZUUFT-NKFKGCMQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143780
CC(C)Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324822525	453.555	QOSPKFYFZZPIQB-QJOMJCCJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143781
CCOc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324829427	453.555	RSCWNNDDMRVORO-ULJHMMPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143782
CCOc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324830455	453.555	VQGVJGPLWBSJGJ-ULJHMMPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143783
n12c(=O)c(=Cc3cccc(OCCC)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8200188668	453.555	HWMWEJVDOZUUFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143784
n12c(=O)c(=Cc3cccc(OC(C)C)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8607736909	453.555	QOSPKFYFZZPIQB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143785
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CCc1ccc(cc1)C	MCULE-8663570503	453.555	NMBZDEKTMYMUHU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143786
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-9947130140	453.555	VQGVJGPLWBSJGJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143787
n12nc(nc1sc(=Cc1ccc(OCC)cc1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-2208612143	453.555	RSCWNNDDMRVORO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143788
C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1ccccc1F	PC-id_112807090	453.556	VFDJZUYDDBYPSK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143789
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_915019252	453.556	AYYIFRWJHAZDKU-GHMZBOCLSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143790
C[C@H](NS(=O)(=O)c1cccs1)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_915019255	453.556	AYYIFRWJHAZDKU-QWRGUYRKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143791
C[C@H](NS(=O)(=O)c1cccs1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_915019256	453.556	AYYIFRWJHAZDKU-WDEREUQCSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143792
C[C@@H](OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_855881932	453.556	IIWAZOLISILZBW-LLVKDONJSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143793
C[C@H](OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_855881933	453.556	IIWAZOLISILZBW-NSHDSACASA-N	00000010100100000000000010000000000000000000000000000000	25-01-143794
C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_915019254	453.556	AYYIFRWJHAZDKU-MNOVXSKESA-N	00000010100100000000000010000000000000000000000000000000	25-01-143795
N#Cc1c(NC(=O)C(OC(=O)CCNS(=O)(=O)c2cccs2)C)sc2c1CCC2	EMOLS-id_316803237,MCULE-6467885112	453.556	IIWAZOLISILZBW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143796
N#Cc1c(NC(=O)C(OC(=O)C(NS(=O)(=O)c2cccs2)C)C)sc2c1CCC2	EMOLS-id_316833722,MCULE-6942051986	453.556	AYYIFRWJHAZDKU-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143797
c1(NC(=O)COc2cccnc2NC(=O)N2CCCCC2CC)sc2c(CCC2)c1C#N	MCULE-9477210957,EMOLS-id_321857720	453.557	ASDOHAHPUCMTLY-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-143798
c1(NC(=O)COc2cccnc2NC(=O)N2CC(C)CC(C)C2)sc2c(CCC2)c1C#N	MCULE-6196578682,EMOLS-id_321856952	453.557	YQLLZWYLWPXIKI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-143799
c1(NC(=O)COc2cccnc2NC(=O)NC2CCCCC2C)sc2c(CCC2)c1C#N	MCULE-5448131479,EMOLS-id_321871994	453.557	SADBILGSMOWGPK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-143800
c1(NC(=O)COc2cccnc2NC(=O)NC2CCCCCC2)sc2c(CCC2)c1C#N	EMOLS-id_321875320,MCULE-1691585451	453.557	DKGMBNZJUXKPOA-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-143801
c1(NC(=O)COc2cccnc2NC(=O)N(C)C2CCCCC2)sc2c(CCC2)c1C#N	MCULE-8252774973,EMOLS-id_321856185	453.557	MFSMOIOZUBKHOV-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-143802
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_3382129,PC-id_2500381,MCULE-1581610259,CoCoCo_3582796,EMOLS-id_3295382,CoCoCo_3582797	453.557	OIGDDLRBTQANPY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143803
s1c2CCCc2c(c1NC(=O)CCN(CC)CC(=O)Nc1ccc(NC(=O)C)cc1)C#N	PC-id_24588868	453.557	YTFCWNKZLZJKEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143804
S(=O)(=O)(N(CCC(=O)NCc1n2CCCc2nn1)c1ccc(cc1)C)c1ccc(cc1)C	PC-id_52550838	453.557	MJXXOMWFXPNQTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143805
CC(C)(C)[Si](C)(C)OCc1ccc2n1C(=O)[C@H](C2C(C(=O)OC)C(=O)OC)C(=O)OC	PC-id_134843229	453.558	XQHGHPWGIQCRKF-LOACHALJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-143806
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cscn1)C	SCHEMBL1206392,PC-id_58015728	453.56	NQPMGZZWZBLAAN-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143807
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1nccs1)C	SCHEMBL12879339,SCHEMBL1205838,PC-id_58015645	453.56	HZTSJINGQXJYAN-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143808
CC[C@H](c1ccccc1)NC(c1cc(c2n1CSC2)C(=O)N[C@@H](c1ccc(cc1)F)C)O	SCHEMBL19841819,PC-id_134233415	453.572	AUQGVPUNVGWQHV-ZKNHSQJFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143809
c1(NC(=S)NNC(=O)CSCc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OC	MCULE-7184802667,CoCoCo_6809287,EMOLS-id_4139665,TIMTEC371780,PC-id_17373961	453.574	PAMNQNWZRBJOBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143810
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OC	EMOLS-id_45970286,ZINC22_27022041	453.577	HRVMXHJDNLXQGD-DVGBGDLNSA-N	00000000100100110001000010000000000000000000000000000000	25-01-143811
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OCC	EMOLS-id_45970400,ZINC22_27022370	453.577	QBOAGMSBYZTFOR-DVGBGDLNSA-N	00000000100100110001000010000000000000000000000000000000	25-01-143812
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCCC1)C	PC-id_66941224,SCHEMBL1204630	453.577	MINXRWFKRHDZEJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143813
CN(CC(C1CCCCC1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	PC-id_66941836,SCHEMBL1206487	453.577	BLAKDKFNUCEARU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143814
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCCC1)C	SCHEMBL1204628,PC-id_58015583	453.577	MINXRWFKRHDZEJ-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143815
CN(C[C@H](C1CCCCC1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	SCHEMBL1206484,PC-id_58015654	453.577	BLAKDKFNUCEARU-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143816
CN(C[C@H](C1CCCCC1)OC(=O)N1Cc2c(C1(C)C)n(nc2)NC(=O)c1ccccc1)C	PC-id_140138231	453.577	GWABEJQFOMCVRQ-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143817
COc1cc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OCCC(C)C	ZINC22_27022133,EMOLS-id_45970330	453.577	OPRJNONZXCAUOC-ZZMFGPCGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-143818
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC(C)C)c2=O)C=Cc1cccs1	MCULE-9192560791	453.577	OPRJNONZXCAUOC-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-143819
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCC)c2=O)C=Cc1cccs1	MCULE-9584423033	453.577	HRVMXHJDNLXQGD-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-143820
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCC)c2=O)C=Cc1cccs1	MCULE-1349110916	453.577	QBOAGMSBYZTFOR-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-143821
CN(C)c1ccc(cc1)C(NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1nccn1C	MCULE-8862355096,EMOLS-id_328215933	453.579	FKHONGMGVCQAAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143822
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)N1CCOCC1	PC-id_55625622	453.579	OEXHIVLHZQCESN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143823
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)[C@@H]1CCCNC1)C	PC-id_137497874,SCHEMBL20741130	453.58	FJPRNSSZGGSDDG-DUSLRRAJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143824
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)C1CCCNC1)C	PC-id_137497876,SCHEMBL20741133	453.58	FJPRNSSZGGSDDG-WHCXFUJUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143825
CCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_66738896,SCHEMBL597422	453.58	CAJJZJTVBVNZEK-SJORKVTESA-N	00000010100010101001000010000000000000000000000000000000	25-01-143826
CC([C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)(C)C)C	BindingDB_PC-id_66739191,PC-id_66739191,SCHEMBL598565	453.58	NEIYTCOSTAAIJF-GOSISDBHSA-N	00000010100010101001000010000000000000000000000000000000	25-01-143827
CCN(c1ccc(c2oc(SCC(=O)Nc3c(C#N)c4c(CCC4)s3)nn2)cc1)CC	CoCoCo_3893187,PC-id_16324896,MCULE-8464337687,EMOLS-id_11759367,ZINC22_9877386	453.58	IQIPEFUSVXDSAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143828
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)[C@@H]1CCCNC1)C	SCHEMBL17878687,PC-id_121443975	453.58	FJPRNSSZGGSDDG-IEBWSBKVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143829
CN(C[C@@H](n1nc(c2c1C(C)(C)N(C2)C(=O)N)NC(=O)[C@@H]1CCCNC1)c1ccccc1)C	PC-id_140963678	453.58	HRIBUCBKLTUHQE-IEBWSBKVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143830
COCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1c1cccc(C)c1	MCULE-6806230895,ZINC22_13117085,PC-id_16315098,CoCoCo_2838378,EMOLS-id_43696046	453.58	RSTXTYKMEGGTNN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143831
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnc(n1Cc1ccccc1)C1CC1	PC-id_16307991,SCHEMBL20936235	453.58	AVHPCIPLLIBYGB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143832
S1Cc2c(nn(c2NC(=O)CSc2ccncc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053795	453.58	CIYWTJWSZIMTMR-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-143833
c1(NC(=O)C2CC(=O)N(C(C)(C)C)C2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4256592831,EMOLS-id_334330535	453.597	VZCXWVNAQQWVLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143834
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)CCc1cc(OC)cc(OC)c1)C#N	PC-id_16597681	453.597	KOZVTOSIDONPRR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143835
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)C(=O)OCC	PC-id_22199785	453.597	PIOYBUWPIBUMFG-JXMROGBWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143836
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)C(=O)OCC	PC-id_73875714	453.597	PIOYBUWPIBUMFG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143837
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(s1)NCC1CCCO1	EMOLS-id_16738388,MCULE-3292879201,PC-id_42883722	453.602	VIRZAYUNUJIDBU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143838
C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4299722,ZINC22_12940391,PC-id_25620836	453.602	VIRZAYUNUJIDBU-NXEZZACHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143839
C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4299724,PC-id_25620845,ZINC22_12940400	453.602	VIRZAYUNUJIDBU-VHSXEESVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143840
C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25620831,CoCoCo_4299723,ZINC22_12940384	453.602	VIRZAYUNUJIDBU-UWVGGRQHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143841
C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_12940376,CoCoCo_4299725,PC-id_25620826	453.602	VIRZAYUNUJIDBU-ZJUUUORDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143842
CCn1c(nnc1Cc1ccccc1)SC(C(=O)Cc1sc2c(c1C(=O)C)CCC2)C	PC-id_141677308	453.62	PVXXBAHKIVUIBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143843
c1(NC(=O)CSc2scc(c3ccc(cc3)C(C)(C)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_324894765,MCULE-4503662314	453.643	SWFKHVGDKSRBOE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-143844
CN=C(c1c(sc2c1CCC2)N)NC1CCC(CC1)N(C)CC(=O)NCc1ccccc1	PC-id_89137821	453.643	ZCWHXKKWMFOZBE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-143845
Cc1ccc(c(c1)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882974	453.652	DVVFVGXKVSYDSJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143846
Cc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140882969	453.652	IMCNRIYCSLOXFM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143847
Cc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)C	PC-id_145210914	453.652	QNQSRDIWIMVCAL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143848
CCc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882995	453.652	QEXKYTDXHLVHRY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143849
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cccc(c1C)C	PC-id_140882919	453.652	FCUOMFBNLFEMCE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143850
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(C)cccc1C	PC-id_140882956	453.652	UFCWQDLGJNJRCT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143851
CCC(CC1Cn2c(C1)cn(c2=N)CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CC	SCHEMBL14346343,PC-id_59016249	453.66	ZJORYZDRNPVUKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143852
c1(NC(=S)NNC(=O)CCCCCCCCCCC)sc2c(CCC2)c1C(=O)OC	TIMTEC574903,MCULE-6319098791,EMOLS-id_4139731,CoCoCo_6797576,PC-id_4508600	453.662	YMYWASHZBDTBSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-143853
C=CCOC(=O)N1C[C@@H](C[C@H]1CC1(O)Cn2c(S1)cnc2C)O[Si](C(C)(C)C)(C)C	PC-id_70220599,SCHEMBL7891255	453.671	MXUNVLBZNNRNLL-NXRUOVBSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143854
S1C(O)(CC2N(CC(O[Si](C(C)(C)C)(C)C)C2)C(=O)OCC=C)Cn2c1cnc2C	PC-id_77797192	453.671	MXUNVLBZNNRNLL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143855
S1C(SC(C)C)c2c(/C/1=N/c1ccccc1)c(sc2SC(C)C)SC(C)C	PC-id_10253409	453.771	UEQHOXUASWHDIF-PYCFMQQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143856
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)OC	STOCK1S-84517,MCULE-7420479865,EMOLS-id_4411838,PC-id_3751513,TIMTEC535777	453.791	WVNAZDRIKNCAIA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143857
COC(=O)c1c(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_2135197,ZINC22_2688141,CoCoCo_5796638	453.791	WVNAZDRIKNCAIA-OAHLLOKOSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143858
COC(=O)c1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_1452651,PC-id_1526810,CoCoCo_5796637	453.791	WVNAZDRIKNCAIA-HNNXBMFYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-143859
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(OC)c1OC	PC-id_16513387	453.893	FZWFAFNAOKFUQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143860
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-5698972669	453.898	FWFNCHSEGLAQDT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143861
c1(NC(=O)COc2cccnc2NC(=O)c2cccnc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_321809266,MCULE-6450034216	453.901	JGVDQOCDPZRZSZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-143862
c1(NC(=O)COc2cccnc2NC(=O)c2ccnc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-5180850355,EMOLS-id_321809265	453.901	DXCWZYQCMWJACZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-143863
c1(ccccc1C(=O)Nc1sc2CCCc2c1C(=O)OCC)C(=O)c1ccc(cc1)Cl	EMOLS-id_328034802,MCULE-8320013608	453.938	JRSZYSPPBUBVHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143864
Clc1n(nc(c1C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C)CC(C)C	PC-id_24370537	453.94	LOEQZFOKYIEGDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143865
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccccc2Cl)sc2CCCc2c1C#N	EMOLS-id_331630274,MCULE-5562902207	453.941	LUKHSIVACRQMIC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143866
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccc(cc2)Cl)sc2CCCc2c1C#N	MCULE-5589496161,EMOLS-id_331629253	453.941	PAUUFYBJQSTXHR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143867
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-5104388721	453.941	WBDVRFKQDLLNPX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143868
Clc1ccc(SCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_3918586	453.959	CURAGTNAIJUDMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143869
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(SC)cc1	PC-id_5116002	453.959	DILJQWNYEFARIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143870
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ncc(s1)Cl)C(=O)O	PC-id_135187187,SCHEMBL20339215	453.963	NAOHCTHDTGQGGJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-143871
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_16924060	453.963	ZIAIHINWWXIPHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143872
N#Cc1c(NC(=O)c2cc(S(=O)(=O)NCCCCO)ccc2Cl)sc2c1CCC2	BindingDB_PC-id_44456943,CHEMBL258599,PC-id_44456943,BindingDB-id_154658	453.963	MPQAKZOXOPJBAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143873
Clc1ccc(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3CCCc3c2C#N)cc1	PC-id_3922382	453.964	UYCMOISQHDPXKS-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-143874
Clc1c(CC(P(=C)(C)C)C(=O)OC)cc(/N=c/2snc3n2CC(C3)(C)C)c(c1)C	PC-id_59933073	453.966	QSAYNFMZTXETIN-ATJXCDBQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143875
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(CCCC)cc2)cc1	PC-id_16947402	453.984	FNXVVZDRJOFWEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143876
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NC(CCc2ccccc2)C)cc1	PC-id_16947390	453.984	LWTIZNVQRPTIHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143877
c1(sc2c(CCC2)n1)NC(=O)[C@H]1CC[C@@H](CC1)CNS(=O)(=O)c1ccc(cc1)Cl	MCULE-8040464372,EMOLS-id_323442623	454.006	UTESGYWBTCXYHQ-HDJSIYSDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143878
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)SC4=NN(C=N4)CC(F)F	PC-id_164872244	454.079	UTCYTCIZGLMRIZ-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143879
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CNC(=C4)C(F)(F)F	PC-id_164872174	454.092	RBEHAOOJCSPQNL-OAHLLOKOSA-N	00000010110000110001000010000000000000000000000000000000	25-01-143880
CCN1C(=CN=C1SC(C)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)CC4=CC=CC=C4	PC-id_154624326	454.15	OCCGMANQSVFXJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143881
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=CNNN4)C(=O)NC5=CC(=CC=C5)Cl	PC-id_146843813	454.152	SGQYMCUOJSLAEI-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-143882
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(Cl)c(Cl)c(c(Cl)n1)Cl	EMOLS-id_327918433,MCULE-5210460093	454.155	BISVNBMAHXXYIE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-143883
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2/C=C/C3=CC=C(C=C3)C=O	PC-id_152532756	454.156	YJWDIJGMYAOSAZ-SGQUHAKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143884
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)/C=C/C3=CC=C(C=C3)C=O	PC-id_150627586	454.156	IXFGLXXJSXJJTR-RQMBKDMJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143885
CN1C2=C(CN(C2)S(=C)(=O)C)C(=N1)C(=O)N3CCC(CC3)C4=CC=CC=C4C(F)(F)F	PC-id_160705050	454.165	WVNOYXXSUQRTHE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143886
C[C@@H](CS(=O)(=O)CCCN1CN2C(=O)NC(=O)N2C1)C3=CC(=C(C=C3)F)OCC4CC4	PC-id_162164145	454.169	ZMWZFMJNNMKHHF-AWEZNQCLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-143887
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=CNN)NC)C(=O)Nc1cc(ccc1)F	PC-id_164102824	454.213	XQDKBKGJSNEZTF-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-143888
Brc1sc(Br)c2CC(Cc12)(COCCCC)COCCCC	SCHEMBL13799534,PC-id_70996234	454.26	FJYPSCDYYMVFIH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-143889
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(F)cc3F)/c(=O)n2n1	EMOLS-id_324912139	454.277	HISRNBAHWCVWPZ-SOFYXZRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143890
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(F)c(F)c3)/c(=O)n2n1	EMOLS-id_324911627	454.277	LKWKQMTZMWCIBJ-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143891
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3cc(F)ccc3F)/c(=O)n2n1	EMOLS-id_324914191	454.277	BPAOOZZAIFPIMR-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143892
n12c(=O)c(=Cc3ccc(cc3F)F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-4735359079	454.277	HISRNBAHWCVWPZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143893
n12c(=O)c(=Cc3ccc(c(F)c3)F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-7663552708	454.277	LKWKQMTZMWCIBJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143894
n12c(=O)c(=Cc3cc(F)ccc3F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-8145101793	454.277	BPAOOZZAIFPIMR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143895
CCOC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)I)C	PC-id_118368830,SCHEMBL17080564	454.281	VKHUEVMPXXBYNN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143896
CCOC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)I)C	SCHEMBL18760628	454.281	VKHUEVMPXXBYNN-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-143897
Brc1oc(/C=C/C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24364263	454.292	LSJRAYAHJNDLQR-SOFGYWHQSA-N	00000010101000000000000010000000000000000000000000000000	25-01-143898
Brc1oc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_74265436	454.292	LSJRAYAHJNDLQR-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-143899
CCCC(CCCCCC(=O)CN1C2=C(C(CC2)C)C(=N1)C(=C)O)(C3=CC=CC(=C3C)C)F	PC-id_153575603	454.3	XUGPHXPMLMLXPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143900
Clc1cc(CC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)ccc1Cl	PC-id_69479842,SCHEMBL5537531	454.307	WUJUYIDBSKGHQE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143901
Clc1ccc(cc1)C(=O)C(c1nc2n(/c/1=C(/C(=O)c1ccc(cc1)Cl)C)c(nn2)N)C	SPECS-id_AT-225/NB55308,PC-id_51059433	454.309	RPYRBFTWYCZRKP-LDADJPATSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143902
Clc1ccc(C(=O)C(c2nc3n(c2=C(C(=O)c2ccc(Cl)cc2)C)c(nn3)N)C)cc1	PC-id_75609294	454.309	RPYRBFTWYCZRKP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143903
Clc1cc(NC(=O)c2n3c(CCC3)c(c2NC(=O)Nc2ccccc2)C#N)cc(Cl)c1	PC-id_77461188	454.309	NEUIZCZJUJFHES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143904
O=C(NC1Cc2n(C1)cnc2)Nc1ccc(cc1)CNC(=O)c1ccc(cc1)Br	MCULE-3944439473,EMOLS-id_317025107	454.32	JBDITCMBWGMJAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143905
O=C(Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)N[C@@H]1Cc2cncn2C1	ZINC22_1215311077	454.32	JBDITCMBWGMJAA-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143906
O=C(Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)N[C@H]1Cc2cncn2C1	ZINC22_1215311078	454.32	JBDITCMBWGMJAA-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143907
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1Cl)Cl)C(=O)OC	PC-id_2789263,MCULE-3020376374	454.324	OVMXMDQRRZPVOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143908
COC(=O)C1CCc2sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c(C(=O)OC)c12	Chemmine_3890,PC-id_5710818,EMOLS-id_25893007,STOCK2S-64555	454.324	OVMXMDQRRZPVOB-XBXARRHUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143909
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2Cl)Cl)sc2c1[C@@H](CC2)C(=O)OC	CoCoCo_722986	454.324	OVMXMDQRRZPVOB-HXUAIIEXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143910
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2Cl)Cl)sc2c1[C@H](CC2)C(=O)OC	CoCoCo_722988	454.324	OVMXMDQRRZPVOB-LDJOOVGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143911
COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744117,CoCoCo_722985,PC-id_1553445	454.324	OVMXMDQRRZPVOB-GXWOQWCDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143912
COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1[C@H](C(=O)OC)CC2	ZINC22_943850,CoCoCo_722987,PC-id_1183646	454.324	OVMXMDQRRZPVOB-WNPFHQFXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143913
c1(NC(=O)C(=O)NN=Cc2cccc(Cl)c2Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_2022067,MCULE-1045742239	454.327	GJUMICPINBCQKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143914
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(c2Cl)Cl)sc2c1CCC2	PC-id_6890398,STOCK4S-74448,EMOLS-id_26349075	454.327	GJUMICPINBCQKY-LSFURLLWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143915
Clc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1Cl	PC-id_19661416	454.327	CTMJKVVPXWSNCE-LSFURLLWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143916
Clc1cc(C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1Cl	PC-id_73635849	454.327	CTMJKVVPXWSNCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143917
Clc1c(/C(=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)/C)ccc(Cl)c1	PC-id_19659163	454.327	WMMQNVJJTPLCMQ-NUGSKGIGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143918
Clc1c(C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_4171165	454.327	IVRJLHYSQWRURC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143919
Clc1c(C(=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)ccc(Cl)c1	PC-id_73633659	454.327	WMMQNVJJTPLCMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143920
Clc1c(/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_9651036	454.327	IVRJLHYSQWRURC-LSFURLLWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143921
Clc1c(/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_19658857	454.327	YNAHSNCLHRXFAV-LSFURLLWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143922
Clc1c(C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_73633356	454.327	YNAHSNCLHRXFAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143923
Clc1cccc(c2ccc(/C=c/3sc4nc(Cc5ccccc5)nn4c3=O)o2)c1Cl	EMOLS-id_45958945,ZINC22_8763597	454.329	NZHNKNFCCMYJHN-PDGQHHTCSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143924
Clc1cccc(c2ccc(/C=c/sc4nc(Cc5ccccc5)nn4c3=O)o2)c1Cl	EMOLS-id_46397920,ZINC22_28166590	454.329	NZHNKNFCCMYJHN-LDADJPATSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143925
Clc1cc(Cl)cc(c1)c1ccc(/C=c/sc3nc(Cc4ccccc4)nn3c2=O)o1	ZINC22_28166585,EMOLS-id_46397918	454.329	BTHMZGCJUYKCPF-XDHOZWIPSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143926
Clc1cc(Cl)cc(c1)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)o1	ZINC22_8834031,EMOLS-id_45958937	454.329	BTHMZGCJUYKCPF-UNOMPAQXSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143927
n12nc(nc1sc(=Cc1ccc(c3c(cccc3Cl)Cl)o1)c2=O)Cc1ccccc1	MCULE-4620905331	454.329	QACJIIHKMMVXTK-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143928
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3Cl)o1)c2=O)Cc1ccccc1	MCULE-6160434118	454.329	NZHNKNFCCMYJHN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143929
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)cc(Cl)c3)o1)c2=O)Cc1ccccc1	MCULE-4405258616	454.329	BTHMZGCJUYKCPF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-143930
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OCCOC	PC-id_17356329	454.335	ZHGLYDAIMYHNMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143931
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCOC)cc1	PC-id_17357210	454.335	CWHPITMARHEXBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143932
n12nc(nc1sc(=Cc1cc(Br)ccc1OC)c2=O)C=Cc1ccc(cc1)C	MCULE-7008273742	454.34	QOGDSDUPUKDJRO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143933
Brc1cc(CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(F)cc1	PC-id_56191533	454.356	UTEFMWZFBSUQDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143934
O=C(Cc1c2C(CCn2c(=S)n1C)Cc1cc(Br)ccc1F)NC1COC1	PC-id_139294600,SCHEMBL21137116	454.356	AUONHBJMEQSIBT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143935
O=C(Cc1[nH]c(=S)n2c1C(CC2)Cc1cc(Br)ccc1F)NC1COCC1	SCHEMBL21136697,PC-id_139294193	454.356	DOPFDEXSSLUQEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143936
c1(NC(=S)NC(=O)c2cc(Br)ccc2OC)sc2c(CCC2)c1C(=O)N	SPECS-id_AM-879/41558165,ZINC22_2123499,MCULE-3224080719,PC-id_1778268,EMOLS-id_1732686,CoCoCo_917239	454.361	CMVUQQRZWWSRHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143937
c1(NC(=S)NC(=O)c2ccc(c(Br)c2)OC)sc2c(CCC2)c1C(=O)N	CoCoCo_6352476,ZINC22_13843169,EMOLS-id_4140102,MCULE-9451215902,PC-id_4504706	454.361	WKPJUKUZUBKLFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143938
c1(NC(=S)NNC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OC	PC-id_4508591,CoCoCo_6797567,TIMTEC608720,MCULE-6662568524,EMOLS-id_4140100	454.361	ZYZACVASNRWDBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143939
NC(=O)c1c(NC(=S)NC(=O)COc2ccc(Br)cc2)sc2c1CCC2	PC-id_4505185,ZINC22_16428767	454.361	KOFBUZOSMABAKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143940
Cc1cc(c(cc1Cl)Cl)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109626	454.37	XKUIDGCGQLFPEM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-143941
FC(F)(F)c1ccc(CC2N(CCN(C2)CC2Oc3n(C2)cc(n3)[N+](=O)[O-])C(=O)[O-])cc1	SCHEMBL6010751,PC-id_69635289	454.38	IPRKATJHTIDUAM-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-143942
FC(F)(F)c1ccc(C[C@@H]2N(CCN(C2)CC2Oc3n(C2)cc(n3)[N+](=O)[O-])C(=O)[O-])cc1	SCHEMBL6010758,PC-id_69635295	454.38	IPRKATJHTIDUAM-MLCCFXAWSA-M	00000010100010110001000010000000000000000000000000000000	25-01-143943
Clc1c(OCCCC(=O)NC(=S)Nc2sc3CCCc3c2C#N)ccc(Cl)c1	PC-id_4955485	454.393	MUHIAQKRHNWKIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143944
N#Cc1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CC(C1)(F)F)O[C@H](C(F)(F)F)C	SCHEMBL18501300	454.393	GDQJRGXECJQOQO-LBPRGKRZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-143945
FC(F)(F)Oc1ccc(C(=O)C2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69479814,SCHEMBL5537396	454.4	JMRDKSUXEKBYKH-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-143946
FC(F)(F)Oc1ccc(C(=O)C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5537392,PC-id_23081593	454.4	JMRDKSUXEKBYKH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143947
CCOC(=O)c1c(NC(=O)CSCc2ccc(Br)cc2)sc2c1CCC2	ZINC22_20242023	454.401	RLENTBLLWTWEBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143948
CCOC(=O)c1c(NC(=O)CSCc2ccccc2Br)sc2c1CCC2	ZINC22_408574662	454.401	JUCYBSIBQCKKPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143949
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F	PC-id_86604818	454.403	QSQFYCUTZMPNLO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143950
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)Nc1cccc(c1)C(F)(F)F	PC-id_90813057	454.403	DAHXVQDJTOSCOQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143951
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)N=Cc1ccc(cc1)OC(F)(F)F	PC-id_87852122,SCHEMBL5541039	454.403	NKPNNAZGXYKJES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143952
FC(F)(F)Oc1ccc(/C=N/N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081295	454.403	NKPNNAZGXYKJES-AUEPDCJTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143953
FC(Oc1ccc(cc1)C=NN1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	PC-id_139991196	454.403	NKPNNAZGXYKJES-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143954
FC(Oc1ccc(cc1)/C=NN1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	SCHEMBL5541034	454.403	NKPNNAZGXYKJES-RMORIDSASA-N	00000010100010110001000010000000000000000000000000000000	25-01-143955
Fc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(cc4)C(=O)O)c3C2)(C)C)c(F)ccc1	PC-id_24946781,SCHEMBL1983922	454.426	QNSVNDWTVCWRBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143956
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	PC-id_134285162,BindingDB-id_799349,SCHEMBL19900866	454.429	ADIDKTLQPUHWRK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143957
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(F)cc(F)c1	PC-id_134285265,SCHEMBL19900988,BindingDB-id_799382	454.429	JIADJLPSQRXQLG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143958
Cc1c(C(=O)C(=O)NC2(CC2)c2cnn[nH]2)c2CCCn2c1C(=O)Nc1ccc(F)cc1F	PC-id_134285272,BindingDB-id_799399,SCHEMBL19900995	454.429	SGGGOEBCZOCPTC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143959
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1c[nH]nn1	BindingDB-id_980743,PC-id_139434831,SCHEMBL21296657	454.429	XGNSJXVESGYGSI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-143960
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)Cc23)c(c1F)C(F)(F)F	SCHEMBL17222872,BindingDB_PC-id_118483337,PC-id_118483337,BindingDB-id_435295	454.436	ASNPHZPNQFLZDK-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-143961
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)OCCc1cc(ccc1)C(F)(F)F	PC-id_90970177	454.443	VZPAIFAPYCEIPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143962
CC(=O)C(CCCCCC(c1c(n2C(=N)N=Nc2n1)O)C(=O)C)c1c(n2C(=N)N=Nc2n1)O	PC-id_135457766	454.443	VNPZRWMBCACGDI-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-143963
CC(=O)[C@H](CCCCC[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)C)c1c(n2C(=N)N=Nc2n1)O	PC-id_136748697	454.443	VNPZRWMBCACGDI-PHIMTYICSA-N	00000011100000000001000010000000000000000000000000000000	25-01-143964
CC(=O)[C@H](CCCCC[C@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)C)c1c(n2C(=N)N=Nc2n1)O	PC-id_136748698	454.443	VNPZRWMBCACGDI-QWRGUYRKSA-N	00000011100000000001000010000000000000000000000000000000	25-01-143965
CC(=O)[C@@H](CCCCC[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)C)c1c(n2C(=N)N=Nc2n1)O	PC-id_136748699	454.443	VNPZRWMBCACGDI-GHMZBOCLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-143966
CC(=O)[C@@H](CCCCC[C@@H](C(=O)C)C1=Nc2nnc(N)n2C1=O)C1=Nc2nnc(N)n2C1=O	ZINC22_25573319	454.443	VKKGIKHWTYZLBN-PHIMTYICSA-N	00000011100000000001000010000000000000000000000000000000	25-01-143967
CC(=O)[C@H](CCCCC[C@@H](C(=O)C)C1=Nc2nnc(N)n2C1=O)C1=Nc2nnc(N)n2C1=O	ZINC22_25573326	454.443	VKKGIKHWTYZLBN-QWRGUYRKSA-N	00000011100000000001000010000000000000000000000000000000	25-01-143968
CC(=O)[C@@H](CCCCC[C@H](C(=O)C)C1=Nc2nnc(N)n2C1=O)C1=Nc2nnc(N)n2C1=O	ZINC22_25573333	454.443	VKKGIKHWTYZLBN-GHMZBOCLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-143969
FC(F)(F)c1ccc(CCOC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081187,SCHEMBL5537165	454.443	GPJJVVYCTFJJBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143970
FC(F)(F)c1ccc(CCOC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69479755,SCHEMBL5537159	454.443	GPJJVVYCTFJJBB-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-143971
n1c2N=C(C(CCCCCC(C(=O)C)C3=Nc4n(C3=O)c(N)nn4)C(=O)C)C(=O)n2c(N)n1	MCULE-9574833792,PC-id_4608070,SPECS-id_AT-225/NB50927	454.443	VKKGIKHWTYZLBN-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-143972
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(cc2F)F)sc2c(CCC2)c1C#N	EMOLS-id_321810289,MCULE-7143944929	454.449	YAABIZPWIZJIJJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143973
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(c(F)c2)F)sc2c(CCC2)c1C#N	EMOLS-id_321803903,MCULE-4800181072	454.449	DOUQRCHTDKWRHJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143974
c1(NC(=O)COc2cccnc2NC(=O)c2cc(F)ccc2F)sc2c(CCC2)c1C#N	EMOLS-id_321810033,MCULE-9683988093	454.449	VDWSMKICPAKGJY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-143975
Fc1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)c2ccccc2)C(=O)c2ccccc2)cc1	PC-id_71460366	454.452	FJMMLEPROYQLFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143976
CCc1cccc(OCc2nc3s/c(=Cc4cc(OC)c(O)c(c4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324886541	454.456	HFBBFSYVZUCMKN-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143977
CCc1ccc(OCc2nc3s/c(=Cc4cc(OC)c(O)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324889603	454.456	KRFVWVUEVNRWFU-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143978
COc1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324851962	454.456	UQORIVVNLFRNHF-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-143979
COc1cc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324871180	454.456	PFAYULSUVHDQIR-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143980
COc1cc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324877326	454.456	UGWALXMWBHMQLF-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143981
COc1cc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324883457	454.456	SLBNPDSILIPVNR-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143982
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CCCOc1ccccc1	MCULE-6610333982	454.456	UQORIVVNLFRNHF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143983
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1ccc(cc1)CC	MCULE-6950471344	454.456	KRFVWVUEVNRWFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143984
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1cccc(C)c1C	MCULE-1047406717	454.456	UGWALXMWBHMQLF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143985
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1c(C)cccc1C	MCULE-6163903107	454.456	PFAYULSUVHDQIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143986
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1cc(C)ccc1C	MCULE-9910478340	454.456	SLBNPDSILIPVNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143987
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1cccc(CC)c1	MCULE-3052635939	454.456	HFBBFSYVZUCMKN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-143988
CCOC(=O)c1c(NC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc2)sc2c1CCC2	CoCoCo_1664172,PC-id_92643361,ZINC22_19892336	454.463	NMIBLLGLIRFHFK-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143989
CCOC(=O)c1c(NC(=O)C[C@@H](NC(=O)C(F)(F)F)c2ccccc2)sc2c1CCC2	CoCoCo_1664173,ZINC22_19892333,PC-id_92643360	454.463	NMIBLLGLIRFHFK-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143990
CCOC(=O)c1c(NC(=O)CC(NC(=O)C(F)(F)F)c2ccccc2)sc2CCCc12	EMOLS-id_170717133,MCULE-6685645940,PC-id_4020383	454.463	NMIBLLGLIRFHFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143991
s1c2CCCc2cc1C(=O)OCC(=O)Nc1c(N2CCOCC2)ccc(c1)C(F)(F)F	PC-id_16505644	454.463	LNKPWWAPSUTHOZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-143992
c1(NC(=O)c2ccc(cc2)C(F)(F)F)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053069,MCULE-9211530827,EMOLS-id_24913343	454.466	RUDAOBTWLNEINR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143993
O=C(Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2)NC[C@@H]1CCCO1	PC-id_30862391,ZINC22_23139085,CoCoCo_5277616	454.466	RUDAOBTWLNEINR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143994
O=C(Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2)NC[C@H]1CCCO1	PC-id_30862395,CoCoCo_5277617,ZINC22_23139089	454.466	RUDAOBTWLNEINR-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143995
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1c(cccc1)C(F)(F)F	PC-id_44053067	454.466	MQRJRKPNBMVXKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143996
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(ccc1)C(F)(F)F	PC-id_44053068	454.466	NLMADQYDAPSXOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-143997
N#CCCC1(CCC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)F)F	PC-id_142295135	454.469	IVBQUNWGWVSMCH-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-143998
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)[N+](=O)[O-])OC	PC-id_137355456,SCHEMBL20579918	454.474	GLFCOSMHVVISEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-143999
CCOc1cc(ccc1OC)[C@@H](N1C(=O)c2c(C1=O)csc2[N+](=O)[O-])CS(=O)(=O)C	PC-id_141237106	454.474	GLFCOSMHVVISEW-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144000
CCOc1cc(ccc1OC)[C@H](N1C(=O)c2c(C1=O)csc2[N+](=O)[O-])CS(=O)(=O)C	SCHEMBL20579916	454.474	GLFCOSMHVVISEW-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144001
CCOc1ccc(cc1OC)C(N1C(=O)c2c(C1=O)csc2[N+](=O)[O-])CS(=O)(=O)C	PC-id_141237097	454.474	ULEYDXNMDBQMHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144002
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(Nc2c(F)cccc2)nccc1)C(=O)N	PC-id_51550568	454.474	ABPCLFPQEAUYRQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-144003
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cn1)C#N	SCHEMBL597928,PC-id_59508154	454.479	SSEBSJSVVOMWRK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144004
c1(C(F)F)c2CCCc2n(CC(=O)Nc2c(C(=O)OCC)c(C)c(C(=O)N(C)C)s2)n1	TIMTEC574529,ZINC22_36613837,MCULE-6669309742,PC-id_19590938,EMOLS-id_8867369	454.491	YMNXCGVQRBXYHC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-144005
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccc(cc1)OCC)C#N)C(=O)OC	PC-id_73551859,MCULE-9026250100	454.496	BSRAHWAOPTZWFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144006
c1(NC(=O)c2ccc(cc2)OC(=O)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6356515742,EMOLS-id_334336932	454.496	ZCAMWWSYBWUNJT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144007
CCOC(=O)c1c(NC(=O)COC(=O)c2nc(c3ccccc3)oc2C)sc2c1CCC2	ZINC22_9962625,EMOLS-id_11681986,MCULE-8364298657,PC-id_16276896,CoCoCo_2882346	454.496	FRIIXWSFNVIHDQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144008
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(noc1C)c1ccccc1)C(=O)OCC	PC-id_4662372	454.496	NVZHBUGZRBTMPK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144009
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1ccc(OC)cc1)/C#N)C(=O)OCC	PC-id_24364062	454.496	ONPVKWJQVXSTNQ-RVDMUPIBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144010
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccc(OC)cc1)C#N)C(=O)OCC	PC-id_74265360	454.496	ONPVKWJQVXSTNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144011
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC#N)cc1)C(=O)OCC	PC-id_41217932	454.496	YCBYILVDZKAIGS-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144012
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(OCC#N)cc1)C(=O)OCC	PC-id_74752821	454.496	YCBYILVDZKAIGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144013
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C(=C/c1ccc(OCC)cc1)/C#N)C(=O)OC	PC-id_19174993	454.496	BSRAHWAOPTZWFF-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144014
s1c2c(CCC2)c(c1NC(=O)COc1cn(nc1C(=O)OCC)c1ccccc1)C(=O)N	PC-id_55750285	454.499	DXYAVSKBUHWEAR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144015
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(Cn2ncnc2)cc1)C(=O)OCC	PC-id_41597746	454.499	WVLHIRUUMAABHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144016
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1)c1ncccc1)CC)C(=O)OC	PC-id_52732999	454.499	FJBVBJPCSBBGKY-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144017
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1onc(n1)c1ccc(cc1)C)C(=O)N	PC-id_46660471	454.499	NXSTYNZCIDKBQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144018
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-1889462106	454.5	JOJQUYASYKCZMZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144019
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3250657195	454.5	YCAYUQHFAFARAY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144020
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-9579065708	454.5	ZDLPSWDMHBFMFM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144021
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324830457	454.5	YCAYUQHFAFARAY-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144022
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324831473	454.5	JOJQUYASYKCZMZ-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144023
[O-][N+](=O)c1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324831478	454.5	ZDLPSWDMHBFMFM-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144024
OCCc1nc(c(nc1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(CC)ncc1F	PC-id_142701277	454.501	SXQKEALLJOWFKC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-144025
OCc1nn2c(c1C(=O)N[C@H](c1ccc(cc1)C)C)N(CC2)Cc1cccc(c1)C(F)(F)C	PC-id_145296869	454.512	LLPDQMMSTOZGBJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144026
CCOC(=O)[C@@H]1CCc2c1nc(s2)NC(=O)CCc1cccc(c1)Oc1ccc(cc1)F	GD-id_ZINC44450276	454.514	JDYVWLAZUKEMQI-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144027
s1c2CCC(c2nc1NC(=O)CCc1cc(Oc2ccc(F)cc2)ccc1)C(=O)OCC	PC-id_49719546	454.514	JDYVWLAZUKEMQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144028
c1(NC(=O)COc2ccc(cc2)F)c2CSCc2nn1CC(=O)NCCc1ccccc1	MCULE-7564986536,CoCoCo_5277823,ZINC22_23139664,PC-id_30862881,EMOLS-id_24913639	454.517	NQOQXEOJQMBAOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144029
S1Cc2c(nn(c2NC(=O)c2ccc(OCC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053678	454.517	QJNONCJFWPHGSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144030
S1Cc2c(nn(c2NC(=O)c2c(OCC)cccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053677	454.517	KFIPVSFRNAEDJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144031
S1Cc2c(nn(c2NC(=O)Cc2ccc(F)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053490	454.517	LOUULUVKGJONRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144032
S1Cc2c(nn(c2NC(=O)Cc2ccc(OC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053721	454.517	AURDYTCFESRTEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144033
S1Cc2c(nn(c2NC(=O)C(Oc2ccccc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053713	454.517	KKHDZGSKAJJPPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144034
S1Cc2c(nn(c2NC(=O)COc2c(cccc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053716	454.517	AEYLZCHEJJICEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144035
S1Cc2c(nn(c2NC(=O)COc2cc(ccc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053717	454.517	YNAHYYZZMSMXCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144036
S1Cc2c(nn(c2NC(=O)COc2ccc(cc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053718	454.517	BRUKLQITRNPSDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144037
S1Cc2c(nn(c2NC(=O)COc2c(F)cccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053775	454.517	LYCFOQGVMQHFIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144038
S1C(CC(=O)Nc2ccc(F)cc2)C(=O)n2nc(nc12)COc1ccc(C(C)(C)C)cc1	PC-id_46872246	454.517	KKKUKAGKCNYCJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144039
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(cccc1)C(=O)c1sccc1)C(=O)N	PC-id_46811896	454.519	MHIBBNUIXRCMRB-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-144040
Fc1ccc(C(=O)Nc2n[nH]c3C(N(C(=O)N4CCC(N5CCCC5)CC4)Cc23)(C)C)cc1	PC-id_10366699	454.54	JCFWUOQUQFKKCX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144060
COC(=O)c1ccc(c(c1)NC(=O)C(=O)NC(c1nnc2n1CCC2)C(C)C)N1CCCC1	EMOLS-id_48230986,PC-id_75420143,MCULE-3670635489	454.522	CZVQKGVXMGUHOJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144041
COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)N[C@H](c2nnc3n2CCC3)C(C)C)c1	PC-id_97211807,ZINC22_95394000	454.522	CZVQKGVXMGUHOJ-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-144042
COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1	ZINC22_95394001,PC-id_97211808	454.522	CZVQKGVXMGUHOJ-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144043
CCN(CC)c1nc(c(cc1)N=c1c(=C)[nH]n2c1nnc2C(C)(C)NC(=O)CCC(=O)O)C	PC-id_91360027	454.525	DUAHMVZCMIBYHE-UHFFFAOYSA-N	00000000100000101001000010000000000000000000000000000000	25-01-144044
O=C(NC(c1n2N=C(C(=Nc3c(nc(N(CC)CC)cc3)C)c2nn1)C)(C)C)CCC(=O)O	PC-id_22944480	454.525	CTERLQJCVSTSTE-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-144045
O=C(C1CCCCC1C(=O)O)Nc1sc2c(c1C(=O)NC1CCC(CC1)(F)F)CCC2	PC-id_142393448	454.531	MMMMFDGDRRCGPG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-144046
COc1ccc(F)cc1c1cc(C)ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-7326924994,EMOLS-id_328224368	454.535	PIJCROLUUAFJBP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144047
s1c2c(c(C[NH+]3CCN(CC3)C(=O)c3occc3)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_6958432	454.537	BQJXGYKVFRPHBX-UHFFFAOYSA-O	00000010101010110001000010000000000000000000000000000000	25-01-144048
c1(NC(=O)C=Cc2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9901886409	454.539	CZPJOHBPBGVSBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144049
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6039014877,EMOLS-id_334339755	454.539	AWDYRFCYSUSJRT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144050
CC(=O)c1cc(ccc1)NC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	SCHEMBL20353861,PC-id_135200285	454.539	QFSGGMRNGIQFIV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144051
CCOC(=O)/C=C/SC=C(C)N1CCn2c(cc(C(=O)OCC)c12)C(=O)c1ccccc1	EMOLS-id_317499569	454.539	AJRYBUNEZLQVGD-PBOGWBKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144052
CCOC(=O)/C=CS/C=C(C)/N1CCn2c(cc(C(=O)OCC)c12)C(=O)c1ccccc1	EMOLS-id_45783023,ZINC22_12338453	454.539	AJRYBUNEZLQVGD-UGCQAGLLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144053
COC(=O)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	EMOLS-id_334332335	454.539	CZPJOHBPBGVSBD-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144054
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)N(C1CC1)C1=CCCCC1	PC-id_43028685	454.539	QINDQGBIYHILEX-UHFFFAOYSA-N	00100010101011000000000010000000000000000000000000000000	25-01-144055
S(C=C(N1c2n(CC1)c(cc2C(=O)OCC)C(=O)c1ccccc1)C)C=CC(=O)OCC	PC-id_2768795	454.539	AJRYBUNEZLQVGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144056
S(/C=C(/N1c2n(CC1)c(cc2C(=O)OCC)C(=O)c1ccccc1)C)C=CC(=O)OCC	PC-id_5707990	454.539	AJRYBUNEZLQVGD-DZJPBXMHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144057
S(/C=C(/N1c2n(CC1)c(cc2C(=O)OCC)C(=O)c1ccccc1)C)/C=C/C(=O)OCC	PC-id_5907542	454.539	AJRYBUNEZLQVGD-YYFCYBIDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144058
CCC1(C)N(Cc2c1[nH]nc2NC(=O)c1ccccn1)C(=O)C1(F)CCN(CC1)C1CCC1	PC-id_145493503	454.54	XULZYEKFRHMTRB-UHFFFAOYSA-N	00001010100010101001100010000000000000000000000000000000	25-01-144059
s1c2CCCc2cc1C(=O)NNC(=O)c1sc2n(nc(c2c1)C)Cc1ccc(F)cc1	PC-id_27684205	454.54	MBTVFJWAENHRPC-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-144061
c1(NC(=O)c2[nH]nc(c3ccccc3O)c2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_135785244,MCULE-9681027451	454.542	WVIWXDUJWKQAQV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144062
c1(NC(=O)COc2cccnc2NC(=O)OC2CCC(CC2)C)sc2c(CCC2)c1C#N	MCULE-5106426994,EMOLS-id_321797414	454.542	VPJXENDJRZWAHU-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-144063
c1(NC(=O)COc2cn(c(cc2=O)C)CCCN2CCCC2=O)sc2CCCc2c1C#N	EMOLS-id_331632577,MCULE-3643863050	454.542	ABCZJGUKYLOUIQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144064
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CC=C)sc2CCCc2c1C#N	MCULE-3157098573,EMOLS-id_331925523	454.542	OFDNMORQZRYHDN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144065
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	ZINC22_31749168,PC-id_38971780	454.542	KMEDLCMDIVFGAU-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144066
CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	ZINC22_31749172,PC-id_38971783	454.542	KMEDLCMDIVFGAU-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144067
CC(CC1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1)C	EMOLS-id_24150961,PC-id_42904227,MCULE-8246952482	454.542	ZQZFMTXYJBOMPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144068
CC(C[C@]1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1)C	PC-id_25938585,CoCoCo_3165316	454.542	ZQZFMTXYJBOMPN-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144069
CC(C[C@@]1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1)C	PC-id_25938586,CoCoCo_3165317	454.542	ZQZFMTXYJBOMPN-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144070
CCOC(=O)c1c(NC(=O)CNc2c(C)n(C)n(c3ccccc3)c2=O)sc2c1CCC2	EMOLS-id_48956688,PC-id_4638400,CoCoCo_3686023,MCULE-1422730589,ZINC22_12624855	454.542	JGQOPSOPQVEMDB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144071
COCCCN(C(=O)c1cc2c(s1)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	EMOLS-id_42633385,CHEMBL1301115,MCULE-3000461029,ZINC22_13685646,PC-id_16195921	454.542	OBCRKJMRKVCEPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144072
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)NC(C1=O)(C)c1ccc(cc1)C(C)C	EMOLS-id_43797863,PC-id_47004428,MCULE-2074754563	454.542	KMEDLCMDIVFGAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144073
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C=CC=C2)/NN1)C(=O)NCCCOCC	PC-id_19130933	454.542	FYANQUMZBZVURE-PEZBUJJGSA-N	00000011100011000001100010000000000000000000000000000000	25-01-144074
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C=CC=C2)C1)C(=O)NCC1OCCC1	PC-id_78404378	454.542	WLQLASTYCLVXDZ-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-144075
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)CCC)C)C(=O)N	PC-id_46583583	454.542	PTZJYEUZIIPAQR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144076
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(CCCC)c1ccccc1)C(=O)N	PC-id_52891495	454.542	IJXOCLCAUGLRRC-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144077
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(CCCC)c1ccccc1)C(=O)N	PC-id_52891496	454.542	IJXOCLCAUGLRRC-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144078
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCCC)c1ccccc1)C(=O)N	PC-id_75981110	454.542	IJXOCLCAUGLRRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144079
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1c(n(CCC)c(c1)C)C)C#N)C(=O)N	PC-id_5166125	454.542	SWKQEISZNPPEJD-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-144080
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1c(n(CCC)c(c1)C)C)/C#N)C(=O)N	PC-id_6289198	454.542	SWKQEISZNPPEJD-MHWRWJLKSA-N	00000010110000000000000010000000000000000000000000000000	25-01-144081
S1Cc2c(nn(c2NC(=O)c2ccc(OCCCC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053270	454.542	WALMJXRFMNTAOM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144082
S1Cc2c(nn(c2NC(=O)COc2ccc(C(C)C)cc2)CC(=O)NCc2occc2)C1	PC-id_44053230	454.542	KYXPPXUDRSRTFM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144083
c1(NC(=O)COc2cccnc2NC(=O)N2CCN(CC2)CC)sc2c(CCC2)c1C#N	EMOLS-id_321859256,MCULE-5431390622	454.545	SINCYHZEICPETL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144084
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cscn1)C	SCHEMBL1204676,PC-id_66941234	454.545	GOZUAYNJFZXZSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144085
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cscn1)C	SCHEMBL1204673,PC-id_58015567	454.545	GOZUAYNJFZXZSU-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144086
Clc1sc2c(c1)C(CC2)Nc1ccc(c(c1)Br)I	PC-id_114261948	454.552	IMYKRIVHWRBZKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144087
O=CNCC(OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@]2(C(=O)O)C(C)(C)C)(C)C	SCHEMBL19723164	454.559	SPEWJXGPRXBAEW-SANMLTNESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144088
O=CNCC(OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)OC(C)(C)C)(C)C	SCHEMBL17378094,PC-id_118612025	454.559	MGWYBCKBAFGHOS-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144089
CCC(N1Cc2c(S1(=O)=O)cc(s2)/C=C/c1ccc(cc1)c1ccccc1)C(=O)NO	PC-id_57791528,SCHEMBL13786670	454.562	BATWSHDFNVDCQI-JLHYYAGUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144090
S1(=O)(=O)N(Cc2sc(cc12)C=Cc1ccc(cc1)c1ccccc1)C(CC)C(=O)NO	PC-id_76606578	454.562	BATWSHDFNVDCQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144091
C1CCc2n1c(c(c2C#N)NC(=O)C(c1ccc(cc1)CC(C)C)C)C(=O)Nc1ccccc1	PC-id_45112443,CHEMBL583876	454.563	SNWRTEBSXAOWLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144092
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCOCCN1CCN(CC1)c1ncccn1	PC-id_401046,CoCoCo_5781107,CoCoCo_5781108,NSC713751	454.565	SIEXQEPLWXJTON-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-144093
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)cc1	EMOLS-id_324829949	454.565	ODYRYADTIZUXMH-PDGQHHTCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-144094
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)Cc1cccs1	MCULE-4304620885	454.565	ODYRYADTIZUXMH-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-144095
NC(=O)CCNC(=O)c1ccccc1c1cc(c(s1)C)C(=O)Nc1sc2c(n1)CCC2	PC-id_145986718	454.565	HDGLRTQTWFDEEM-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-144096
s1c2CCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C)C#N	PC-id_2500380	454.565	OIGDDLRBTQANPY-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-144097
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)CC=C)C(=O)OC	PC-id_19728013	454.565	FWPAUXHRTLLLGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144098
Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335787442,MCULE-9911294457	454.568	WTPNWDBHGWJNIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144099
Cc1cccc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)c1C	MCULE-6107810811,EMOLS-id_335763127	454.568	ARUAPBSETYQLDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144100
Cc1ccc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1C	MCULE-2290230411,EMOLS-id_335767220	454.568	UQKMPIBIBUNSCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144101
Cc1ccc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)c(C)c1	EMOLS-id_335761338,MCULE-8479513890	454.568	SOPCWIHLSWQROW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144102
CCOc1ccc(Cc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	EMOLS-id_335783605,MCULE-4742489161	454.568	MJHUNUJOQYFPBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144103
COc1ccccc1CCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335771326,MCULE-9508797176	454.568	VUNKKRYYNIZGPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144104
COc1ccc(CCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	MCULE-8703240949,EMOLS-id_335779512	454.568	SBDXGYQWKFVAQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144105
COc1cccc(CCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)c1	MCULE-2076085555,EMOLS-id_335775419	454.568	NIEIDILWDHUQBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144106
n1(N)c(CCCOc2ccccc2)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335771313,MCULE-5591552553	454.568	SODOTJBKARSANH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144107
s1c2CCCc2c(c1NC(=O)CSc1n(c(N2CCCC2)nn1)Cc1occc1)C#N	PC-id_16586819	454.568	ZPSYSAQBVQNMMM-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-144108
S1Cc2c(nn(c2NC(=O)CSc2ncccn2)CC(=O)NCCc2ccccc2)C1	PC-id_44053793	454.568	JQRILLPPIJXCIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144109
C=Cc1ccc(cc1)Cn1nc(n2c1c(/C=c
/c(C)nn3c1nnc3C(C)C)c(n2)C)C(C)C	SCHEMBL11974210,PC-id_58444938	454.57	DGKSMXXVQMHTAS-BKUYFWCQSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144110
n12nc(c(c1n(nc2C(C)C)Cc1ccc(cc1)C=C)C=c1c2n(nc1C)c(nn2)C(C)C)C	PC-id_76788038	454.57	DGKSMXXVQMHTAS-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144111
CCCCc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327857312,MCULE-7554612377	454.582	SUZVJLWLVDTFDO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144112
CCOC(=O)c1c(NC(=O)C2CN(C(=O)C2)c2c(CC)cccc2CC)sc2CCCc12	EMOLS-id_327824306,MCULE-7235576662	454.582	WJTOMCGLUSXIQA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144113
O=C(C1CCCCC1C(=O)O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)C(C)C)CCC2	PC-id_142393458	454.582	KNXRVQWYBYNJSG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144114
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(cccc1C)C	PC-id_45663367	454.582	MYEZNXDSGKINDT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144115
Brc1ccc(cc1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_331221882	456.352	OQXSHCMCNGSPKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144492
CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)n1	CoCoCo_3115653,PC-id_4314660,ZINC22_13117546,EMOLS-id_11735471,MCULE-6530397867	454.583	QCYSBVQSPSYIHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144116
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1sccc1	PC-id_44004753	454.583	STWCIRXKEZPZGM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-144117
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1sccc1	PC-id_16826393	454.583	TUSFTFUEXCIXRB-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-144118
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1sccc1	PC-id_41099997	454.583	DWGVEKRAUMVDLZ-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-144119
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1sccc1	PC-id_44027200	454.583	NYVSTSCEMRYJBG-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-144120
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCN2CCCC2)sc2CCCc2c1C#N	EMOLS-id_331632580,MCULE-2232534442	454.585	OHSROMCRDONKEL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144121
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331922708,MCULE-2231902844	454.585	LVEFYPKTQQTZJP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144122
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCC)sc2CCCc2c1C#N	MCULE-6596004044,EMOLS-id_331922712	454.585	WAIUBKGNGNCUBI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144123
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CC)sc2CCCc2c1C#N	EMOLS-id_331926037,MCULE-6277445174	454.585	SPFLERWBFZOEFB-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-144124
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCC)sc2CCCc2c1C#N	MCULE-9812759585,EMOLS-id_331923219	454.585	ADSCPGUESPYOMK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-144125
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CC)sc2CCCc2c1C#N	EMOLS-id_331925526,MCULE-2228193306	454.585	OJTSDHIJEWUNBS-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-144126
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CC)sc2CCCc2c1C#N	MCULE-7311708713,EMOLS-id_331924758	454.585	PPDPIZOJNPRQCV-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-144127
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CC=C)sc2CCCc2c1C#N	MCULE-8323313216,EMOLS-id_331926804	454.585	UDHYGFZOCCFBBO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144128
O=C1CCc2c3N1CCc3cc(c2)S(=O)(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92110083	454.585	DVGYJORNDSSSRG-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-144129
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1cc(OC)c(OC)cc1)C#N	PC-id_55482458	454.585	XDGUAMMHFKPFCY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144130
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1c(OC)ccc(OC)c1)C#N	PC-id_60361088	454.585	YBXBWXBTKVUIIU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144131
s1c2c(CCC2)c(c1NC(=O)C(N1CCCN(CC1)C(=O)c1cc(ccc1)C)C)C(=O)N	PC-id_55565584	454.585	SYDXUDUZGCIDCN-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-144132
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1ccc(C(C)C)cc1)C(=O)N	PC-id_35206834	454.585	NPALQUDHEAMXDA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144133
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)Cc1c(cccc1)C)C)C(=O)N	PC-id_56311519	454.585	YEMYNLSXONGHJH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144134
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)Cc1ccc(cc1)C)C)C(=O)N	PC-id_56384450	454.585	OPYAAHXMCFHQNC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144135
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)CCCc1ccccc1)C(=O)N	PC-id_56281319	454.585	BOWDIBLXJAZJBD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144136
NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2	PC-id_17546231,ZINC22_35380178,CoCoCo_3574118,EMOLS-id_11944708,MCULE-8548903799	454.587	QCVOGNOZCMGFMW-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-144137
s1c2c(CCC2)c(c1NC(=O)CSc1sc(N2CCOCC2)nn1)C(=O)OCC	PC-id_56093034	454.587	QFTBGBAQIPVEIQ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-144138
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)C(C)C)nn1)C(=O)OCC	PC-id_23738072	454.587	YRLSTIGNXHOBEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144139
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)CCC)nn1)C(=O)OCC	PC-id_23796908	454.587	UFILMNULRKMKQT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144140
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CC)nn1)C)C(=O)OCC	PC-id_23793609	454.587	APVKIEBDCLCRIO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144141
c1(NC(=O)CN2CCN(CC2)c2nc(C)c(c(=O)[nH]2)CC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_322526817,MCULE-7293685186	454.588	QGKJNAOBXYEPQW-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-144142
c1(NC(=O)CSc2scc(c3cccc(c3)NC(=O)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_324865096,MCULE-2093009923	454.588	OYYBQBNABCEXTJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144143
c1(NC(=O)CSc2scc(c3ccc(cc3)NC(=O)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_324924468,MCULE-1682203915	454.588	IEBCTXXTOWMXER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144144
CC1(c2c(CN1C(=O)Nc1ccccc1C#N)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195450,SCHEMBL20348582	454.588	CEHACDNNDMCLPW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144145
CN(CCNC(=O)c1ccccc1c1cc(c(s1)C)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_145979079	454.608	VEEGQYNCDSSXOM-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-144146
O=S(=O)(c1ccccc1)c1cc(NC2CCCCC2)nc(c1)Nc1sc2c(n1)CCC2	PC-id_144988231	454.608	JZACLZHNSYOZAK-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-144147
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(cccc1)C)C)C(=O)OC	PC-id_19676951	454.608	ASCAIAAXRQXRQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144148
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(cc1)C)C)C(=O)OC	PC-id_19679464	454.608	PSLBWZFXXXGDEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144149
CC(C)(C)c1ccc(cc1)NCc1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	PC-id_135200286,SCHEMBL20353862	454.625	JQNUPLZNBLEUNB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144150
CNc1c(c2c(s1)CCC2)C(=NC1CCC(CC1)N(C)Cc1ccc(cc1)C(=O)OC)N	PC-id_136422190	454.628	WZFBKPLOQSJNBS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144151
COC(=O)c1ccc(cc1)CN([C@@H]1CC[C@H](CC1)NC(=N)c1c(NC)sc2c1CCC2)C	SCHEMBL13644115	454.628	WZFBKPLOQSJNBS-WGSAOQKQSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144152
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCC(CC1)CN(Cc1ccccc1)C)C)C(=O)N	PC-id_52881764	454.628	LLEYDCSGTNSMHL-KRWDZBQOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144153
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCC(CC1)CN(Cc1ccccc1)C)C)C(=O)N	PC-id_52881766	454.628	LLEYDCSGTNSMHL-QGZVFWFLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144154
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)CN(Cc1ccccc1)C)C)C(=O)N	PC-id_75978662	454.628	LLEYDCSGTNSMHL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144155
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053384	454.628	VOGKCORLWZUFGD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144156
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_140817158	454.637	PVUIBOGQQRBACO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144157
CO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_140817066	454.637	PVUIBOGQQRBACO-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144158
CO[C@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_141487841	454.637	PVUIBOGQQRBACO-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144159
OCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_140817114	454.637	RSDKAHNRWWTWCN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144160
OC[C@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_141487839	454.637	RSDKAHNRWWTWCN-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144161
OC[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_141487850	454.637	RSDKAHNRWWTWCN-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144162
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)CC(c1ccccc1)O	PC-id_140817124	454.637	URNRAXUQPNPXBK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144163
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)[C@@H](Oc1ccccc1)C	PC-id_141487851	454.637	BWZZMKZZMODLGZ-INIZCTEOSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144164
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)[C@H](Oc1ccccc1)C	PC-id_141487852	454.637	BWZZMKZZMODLGZ-MRXNPFEDSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144165
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(Oc1ccccc1)C	PC-id_140817037	454.637	BWZZMKZZMODLGZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144166
CCN(CCC1(CCCCC1)c1ccccc1)C(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-5426517194,EMOLS-id_328341394	454.646	JURSEBWVSFYWDA-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-144167
C[Si](C)(C)OC([C@@H]1CCc2nn(c[n+]12)Cc1ccccc1)(c1ccccc1)c1ccccc1	PC-id_134836851	454.659	WIFFKCLBOGLARD-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-144168
Brc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1C)C(=O)c1ccc(Cl)cc1	PC-id_53990409,SCHEMBL11049590	454.699	KELUGQFSPAMIOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144169
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8150680134	454.714	KYFHVOAYTUVUPB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144170
Oc1ccc(Cl)cc1/C=c/1sc2nc(COc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324847865	454.714	KYFHVOAYTUVUPB-UUASQNMZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144171
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)Cc1cccs1	MCULE-1068490964	454.749	BKMJCJFFIDARPR-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-144172
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(Cc3cccs3)nn2c1=O	EMOLS-id_324835570	454.749	BKMJCJFFIDARPR-XGICHPGQSA-N	00000000100100110001000010000000000000000000000000000000	25-01-144173
CCCSP(=S)(ON=C1n2ccnc2SC1C(Cl)(Cl)Cl)OCC	SCHEMBL11055928,PC-id_54048663	454.783	LRIIKQWMCSSXPY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144174
C1Cc2c(C1)sc(c2C(=O)Nc1ccccc1OC(F)(F)F)NC(=O)C(F)(F)Cl	PC-id_137650594	454.799	GNHSMUIDFYNTAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144175
Clc1ccc(n2ncc(c2C(F)(F)F)C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_46652774	454.853	GCRSYFXXPQJNRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144176
Clc1cc(n2ncc(c2C(F)(F)F)C(=O)NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_24665351	454.853	UMLVZHXPWGUDOC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144177
Cc1c(C(=O)C(=O)NC23CC(C2)(C3)C#N)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	SCHEMBL19920612,BindingDB-id_799414,PC-id_134302896	454.881	LUZIVEVMFBFIBV-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-144178
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)c1c2ccc(c1C(=O)O)o2	PC-id_135200376,SCHEMBL20353959	454.883	ZLLPSESECDZUEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144179
CCCCCCCCN1CC2=C([Se]C(=C2C1=O)Br)Br	PC-id_161657083	454.9	MXPIIBRHCLDPQR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144180
Clc1nc(Nc2n[nH]c3C(N(C(=O)NC4[C@H](C4)c4ccccc4)Cc23)(C)C)nc(OC)n1	SCHEMBL12143690,PC-id_59474158	454.913	UIMWGOGFKWLVBM-PUODRLBUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144181
COc1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1	PC-id_87235117,SCHEMBL1369608,BindingDB_PC-id_87235117,BindingDB-id_218900	454.913	UIMWGOGFKWLVBM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144182
COc1nc(nc(n1)Cl)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL1369609	454.913	UIMWGOGFKWLVBM-GXTWGEPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144183
COc1nc(nc(n1)Cl)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247487	454.913	UIMWGOGFKWLVBM-OCCSQVGLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144184
Clc1ccc(C(=O)c2ccc(OCC(=O)Nc3sc4c(CCC4)c3C(=O)N)cc2)cc1	PC-id_24439866	454.926	NEZORXSLWGODTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144185
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(NC(=O)C)cc2)cc1	PC-id_16947486	454.929	XYJLTJPDNHORBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144186
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(NC(=O)C)ccc2)cc1	PC-id_16947485	454.929	UQBHIIFXMGEHRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144187
Clc1c(n(nc1C)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C	PC-id_16502074	454.929	MYZFADIYLLHLSF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144188
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)CCC	MCULE-8166224324	454.929	YANFZLXERPKDKM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144189
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O)CC	MCULE-3434555541	454.929	ZELDARITLUOEKS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144190
CNS(=O)(=O)c1cccc(c1)CNC(=O)OCCCCn1cnc2c1C(Cl)N=C2N	SCHEMBL19575619	454.931	KIHQOIWOSATNGK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-144191
Clc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(c1)C(=O)c1ccccc1	EMOLS-id_328216699,MCULE-4198503782	454.947	VCXBECOBWRGUMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144192
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1CCN1S(=O)(=O)N	PC-id_135200420,SCHEMBL20354007	454.951	RSHWAPAFWSIEOH-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-144193
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2086034305,EMOLS-id_334331556	454.969	IPCCIRKUYIEZMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144194
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329517,MCULE-4978232339	454.969	CVPAANOZECICNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144195
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc1	PC-id_44053867	454.972	SEGFCXGCHRNPFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144196
Clc1c(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cccc1	PC-id_44053792	454.972	JEQVVMUSDLBWMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144197
Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1nc2CCCc2s1	MCULE-8995098740,EMOLS-id_323471181	454.974	LUELWMFTOXUIJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144198
Clc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCc3s2)cs1	MCULE-3605823194,EMOLS-id_323435603	454.974	RVLYSMGCBMCYPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144199
c1(NC(=O)c2c(Cl)cnc(SC)n2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_2978632,EMOLS-id_2513739,MCULE-3062622044,CoCoCo_564336,TIMTEC416166,ChEMBL-DNDi_CHEMBLD054-0194,ZINC22_16447756	454.994	QXVONERQGCNTJY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-144200
Clc1ccc(SCC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_24049385	455.014	RWJLNCYCBZDGKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144201
CC(=O)OC(C1=NN2CC(CC2=C1)(C)C)C3([C@@H]4N(C3=O)C(=CS4)C(=O)O)Br	PC-id_153892112	455.015	ZAGNENSCWPRCHE-YAJUMTOWSA-N	00001011100000000001001010000000000000000000000000000000	25-01-144202
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](CC)(C)C)CN(C2(C)C)C(=O)Cl	PC-id_140817022	455.023	JOSSUJNHIZHFTM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-144203
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3F)O)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164872253	455.088	UYAUIBSZRRUERC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144204
C1C2=CN(N=C2CN1C(=O)[C@@H](C3=CC=CC=C3F)O)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931958	455.088	UYAUIBSZRRUERC-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144205
C1C2=CN(N=C2CN1C(=O)[C@H](C3=CC=CC=C3F)O)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931968	455.088	UYAUIBSZRRUERC-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144206
C1C2=CN(N=C2CN1C(=O)[C@@H](C3=CC=CC=C3F)O)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931985	455.088	QBPHUSVRKCNBPE-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144207
C/C=C(C(=C)C(F)(F)F)/S(=O)(=O)N1C=C2CN(CC2=N1)C(=O)[C@H](CO)C3=CC=CC=C3	PC-id_164872224	455.113	CAZAFWKWBMTBHC-PJHCXWQQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144208
CCOC(OCC)CCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_140257056	455.162	IMWZANCKQAMHBA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144209
CCOC(=O)N1C2=C(CN(C2)C(=O)[O-])C(=N1)NC(=O)C3=CC=C(C=C3)N4CCN(C(C4)C)C	PC-id_153813400	455.205	AMMYXHIFDPUSJJ-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-144210
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=CN[NH3+])NC)C(=O)Nc1cc(ccc1)F	PC-id_164102823	455.22	XQDKBKGJSNEZTF-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-144211
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)N5CC(C5)C#N)N	PC-id_154689191	455.223	XYAUTYBCAMDEMT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-144212
CC1=C2CCC(C2=NN1)NC(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CCC(C5)C(F)F)C	PC-id_153404086	455.225	FIMLSGQUTPCZRV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144213
Clc1cc(Cn2c3C(CCc3nc2C(C)C)C(C(=O)O)(C(=O)O)C(=O)O)ccc1Cl	SCHEMBL14563337,PC-id_71205786	455.289	OVIWLKYSSCZKHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144214
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)Nc1cc(c(cc1)Cl)Cl	PC-id_90908764	455.295	GHRRYVRAESIFTJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144215
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8720275568	455.295	RRCUMYVJYFWOOY-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-144216
[O-][N+](=O)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)s1	EMOLS-id_324846840	455.295	RRCUMYVJYFWOOY-SDQBBNPISA-N	00000000100100110001000010000000000000000000000000000000	25-01-144217
Clc1c(N(S(=O)(=O)CCl)C(=O)C)cc(/N=c/2sc(=O)n3n2CCC3)c(F)c1	PC-id_70284892,SCHEMBL8136503	455.312	UIGSCMLVAYCONM-AQTBWJFISA-N	00000010100000110001000010000000000000000000000000000000	25-01-144218
c1(NC(=O)c2cc(OC)c(c(OC)c2Br)OC)sc2c(CCC2)c1C(=O)N	PC-id_19171546,MCULE-6147156014	455.323	VMFVKVMDDPPSJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144219
Brc1ccc(o1)C(=O)Nc1c2CSCc2nn1CC(=O)NCC1CCCO1	MCULE-5661639692,PC-id_44053090,EMOLS-id_24913363	455.326	BCAVGIKKJQMVAJ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-144220
O=C(Cn1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277639,PC-id_30862452,ZINC22_23139152	455.326	BCAVGIKKJQMVAJ-SNVBAGLBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-144221
O=C(Cn1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2)NC[C@@H]1CCCO1	PC-id_30862449,CoCoCo_5277638,ZINC22_23139149	455.326	BCAVGIKKJQMVAJ-JTQLQIEISA-N	00000010101000000001000010000000000000000000000000000000	25-01-144222
c1(NC(=O)c2c(=O)cc(n(c3ccc(cc3)Br)n2)C)sc2c(CCC2)c1C#N	MCULE-3163639236,EMOLS-id_322821929	455.328	QBRNUJRYKIEVRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144223
NCCN(C(=O)CCC(C(=O)NCC(=O)Nc1sc2c(n1)C(OB2O)(C)C)N)CCN	PC-id_144427064	455.34	CDQZRBGILRZHET-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144224
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)ccc(Cl)c1	PC-id_44053153	455.358	LXDWXFQLOROISZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144225
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc(Cl)cc1	PC-id_44053154	455.358	FAAFCISVZUVUPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144226
Brc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3CCCc23)cc1	MCULE-6206325987,SPECS-id_AG-690/12887443,EMOLS-id_1280368,CoCoCo_138044,ZINC22_2062340,CHEMBL1527602,BAS-00832049,PC-id_1726158	455.367	HDDPXPSUSQOBGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144227
CCC(C(=O)NCCn1nc(cc1C(F)F)C(F)F)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867273,PC-id_19590893,MCULE-3996044853,TIMTEC187738	455.373	HDJSQXWIBSNBQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144228
CC[C@@H](C(=O)NCCn1nc(C(F)F)cc1C(F)F)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607602,PC-id_29092509	455.373	HDJSQXWIBSNBQV-NSHDSACASA-N	00000010100000000001000010000000000000000000000000000000	25-01-144229
CC[C@H](C(=O)NCCn1nc(C(F)F)cc1C(F)F)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607603,PC-id_29092510	455.373	HDJSQXWIBSNBQV-LLVKDONJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144230
FC(F)(F)c1ccc(CC2N(CCN(C2)CC2Oc3n(C2)cc(n3)[N+](=O)[O-])C(=O)O)cc1	PC-id_69635290	455.388	IPRKATJHTIDUAM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144231
FC(F)(F)c1ccc(C[C@@H]2N(CCN(C2)CC2Oc3n(C2)cc(n3)[N+](=O)[O-])C(=O)O)cc1	PC-id_69635296	455.388	IPRKATJHTIDUAM-MLCCFXAWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144232
FC(F)(F)c1ccc(COC(=O)N2CCN(CC3Oc4n(C3)cc(n4)[N+](=O)[O-])CC2)cc1	PC-id_23081620,SCHEMBL5542598	455.388	JMYFGVJCLJVAPV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144233
FC(F)(F)c1ccc(COC(=O)N2CCN(C[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])CC2)cc1	PC-id_69635280,SCHEMBL6010744	455.388	JMYFGVJCLJVAPV-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144234
Brc1ccc(S(=O)(=O)N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)cc1	PC-id_26260744	455.389	AWGRNIJSSXJFNP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144235
Brc1c(S(=O)(=O)N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)cccc1	PC-id_32269124	455.389	NKJVWDQUVRQDJB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144236
O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	MCULE-3761323034,PC-id_2453813,ZINC22_3337624,EMOLS-id_3329469,CoCoCo_3356629	455.389	AKOPQVYAPMEMAX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144237
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC(F)F)cc1)C(=O)OC	PC-id_16503500	455.429	BJCMXKCKLFOLLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144238
Cc1cc(ccc1NC1CCCCN1CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])OC(F)(F)F	PC-id_140503036	455.431	OZEZBDBBAAOGQW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144239
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)CNc1ccc(cc1)OC(F)(F)F	PC-id_91091040	455.431	SVMZHUMMLNQKES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144240
CN(c1ccc(cc1)OC(F)(F)F)C1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_23081408,SCHEMBL5536276	455.431	WDHAIHNNMWXADP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144241
CN(c1ccc(cc1)OC(F)(F)F)C1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5536274,PC-id_69479566	455.431	WDHAIHNNMWXADP-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-144242
CN(C1CCN(CC1)c1ccc(cc1)OC(F)(F)F)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_69480892,SCHEMBL5540688	455.431	RNXQBURUSKEQKC-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-144243
CNC([C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)c1ccc(cc1)OC(F)(F)F	SCHEMBL5540684,PC-id_69480891	455.431	WWORPBFKQXPTFP-NNBQYGFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144244
CNC(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)c1ccc(cc1)OC(F)(F)F	SCHEMBL5540693,PC-id_69480895	455.431	WWORPBFKQXPTFP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144245
FC(F)(F)Oc1ccc(N2CCC(N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	PC-id_77659641	455.431	RNXQBURUSKEQKC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144246
S(=O)(=O)(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)C)C1)c1ccc([N+](=O)[O-])cc1	PC-id_71453333	455.444	BRUAQBXCNCIIPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144247
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccc(cc1)OC(F)(F)F)Cc1ccco1	PC-id_92109618	455.451	WOPDCWUSUUSLLM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144248
Cn1nc(c2c1CCC2)CN(S(=O)(=O)c1ccccc1OC(F)(F)F)Cc1ccco1	PC-id_92109656	455.451	VKZGFQPJRYFMBZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144249
s1c2c(CCC2)c(c1NC(=O)CNc1c(cccc1)C(=O)NCC(F)(F)F)C(=O)OC	PC-id_24583370	455.451	AGSPXQVZLBMHGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144250
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(C)c(F)c2)sc2CCCc2c1C#N	MCULE-1619813965,EMOLS-id_333650832	455.462	IBUHWWLRXRBFQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144251
c1(NC(=O)COc2nonc2CC(=O)NCc2ccccc2F)sc2CCCc2c1C#N	MCULE-2319123560,EMOLS-id_333685330	455.462	NDLPCHNLXMQUTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144252
c1(NC(=O)COc2nonc2CC(=O)NCc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-3076657041,EMOLS-id_333684319	455.462	NIUKRAONHGLWQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144253
c1(NC(=O)COc2nonc2C(=O)NCCc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-5400211534,EMOLS-id_333713468	455.462	MFQHDTWWKDSLIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144254
S1Cc2c(nn(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053700	455.462	RDERJTQCRNUZLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144255
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])ccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053699	455.462	NAZIIHJNLHOYDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144256
S1Cc2c(nn(c2NC(=O)c2c([N+](=O)[O-])cccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053698	455.462	GLVIZCVGVQALHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144257
c1(NC(=O)CS(=O)CC(=O)Nc2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_320677192,MCULE-8910024728	455.474	XDGIJZPEZSEGDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144258
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_320718916,MCULE-5091956660	455.474	WRHMWHBOVWEUPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144259
s1c2c(CCC2)c(c1NC(=O)c1scc(Cn2nc(cc2)C(F)(F)F)c1)C(=O)OC	PC-id_19496795	455.474	PFJGSFPNOVPUAU-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-144260
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(COc2ccccc2)cc1)C(=O)OC	PC-id_16518982	455.48	SGCBRTOCEWMXRX-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144261
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(o1)C(=O)NCCc1ccccc1	SCHEMBL14055859,PC-id_89237274	455.484	SNTLTZKHDMDWGC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144262
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cc(co1)C(=O)NCCc1ccccc1	SCHEMBL14055917,PC-id_89237323	455.484	JTCCRSGZMGGLDY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144263
CCOC(=O)c1c(NC(=O)c2nn(c3ccc(OC)cc3)c(=O)cc2O)sc2CCCc12	MCULE-8310602537,EMOLS-id_328256935	455.484	YVOOLOVQJQGXKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144264
COc1ccccc1OCc1nc2s/c(=Cc3cc(OC)c(OC)c(OC)c3)/c(=O)n2n1	EMOLS-id_324868622	455.484	ITQZQUUAKYZVJI-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144265
COc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1OCC#N	PC-id_2399353,ZINC22_3283832,CoCoCo_2805877	455.484	FIHUCLGBSDMHAG-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144266
COc1cccc(OCc2nc3s/c(=Cc4cc(OC)c(OC)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324874753	455.484	KTARIIVYKSSRIR-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144267
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1ccccc1OC	MCULE-1952533940	455.484	ITQZQUUAKYZVJI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144268
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1cccc(OC)c1	MCULE-8196037821	455.484	KTARIIVYKSSRIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144269
N#CCOc1ccc(cc1OC)/C=CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_2805878	455.484	FIHUCLGBSDMHAG-VURMDHGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144270
N#CCOc1ccc(cc1OC)C=CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4517874,EMOLS-id_26029310,MCULE-9580805533	455.484	FIHUCLGBSDMHAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144271
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN(C(C(C)(C)C)C2)C(=O)[O-])cc1)C	PC-id_69635247,SCHEMBL6010711	455.484	QEFOLYXQBHINIG-UHFFFAOYSA-M	00000010100011110001100010000000000000000000000000000000	25-01-144272
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN([C@@H](C(C)(C)C)C2)C(=O)[O-])cc1)C	PC-id_69635256,SCHEMBL6010718	455.484	QEFOLYXQBHINIG-FKSKYRLFSA-M	00000010100011110001100010000000000000000000000000000000	25-01-144273
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N	PC-id_27703666	455.484	AGMRVVOCNJWOIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144274
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)OCC	PC-id_45694089	455.484	XWRNLFDFGVEQCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144275
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(N2C(=O)CCC2=O)ccc1)C)C(=O)N	PC-id_43014760	455.484	UNSOZRXBFGKQFG-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144276
COC(=O)c1ccc(c2ccc(/C=c/3sc4nc(/C=C/c5ccccc5)nn4c3=O)o2)cc1	EMOLS-id_45975612,ZINC22_26842380	455.485	DHYXMJOZDFOIKO-WBDHZMATSA-N	00000000101000110001100010000000000000000000000000000000	25-01-144277
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OC)o1)c2=O)C=Cc1ccccc1	MCULE-9906797741	455.485	DHYXMJOZDFOIKO-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-144278
c1(NC(=O)COc2cccnc2NC(=O)N2CCCC2C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321875323,MCULE-5018455750	455.487	BUVZHCGJJUIGHF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144279
COc1ccc(cc1)NC(=S)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16624930,PC-id_117999611	455.487	LEEGJSFBERTDSZ-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144280
COc1ccc(cc1)NC(=S)Nc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19704648	455.487	LEEGJSFBERTDSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144281
c1(NC(=O)COc2nonc2CC(=O)NCCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_333686354,MCULE-4219638009	455.49	RJRKILSFQBEQLB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144282
CCCOC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	SCHEMBL2163600,PC-id_24772680	455.49	UUDHMXNSESFEQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144283
s1c2c(CCC2)c(c1Nc1nc(NCc2ccc(OC)cc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127500	455.49	DRDYDQRJVVPHCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144284
N#Cc1c(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)sc2c1CCC2	EMOLS-id_3548978,ZINC22_9253105,MCULE-1158146900,PC-id_16263193,CoCoCo_2869416	455.502	MSJPUQGMNCVYOY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144285
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(c(c1)C)c1ccc(F)cc1)C)C(=O)N	PC-id_4001999	455.502	REQAXTUTJLVOBN-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-144286
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(F)c(cc1)C	PC-id_16948075	455.502	MBXFBRHASKOZMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144287
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1ccc(F)cc1	PC-id_16948008	455.502	FYYYGXDPNIOKMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144288
n12nc(nc1sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)F	MCULE-7345644583	455.503	KQVWXQVZTHHNPM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144289
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(c1oc(nn1)c1sccc1)C	PC-id_43031855	455.507	PVKDKXFSVSPVIU-UHFFFAOYSA-N	00000010101100000001100010000000000000000000000000000000	25-01-144290
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1Cc1ccccc1N(=O)=O	EMOLS-id_335786943,MCULE-2993633018	455.513	GFYSUIWLBVVEOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144291
c1(c2CCCc2sc1NC(=O)CNCc1ccco1)C(=O)Nc1ccc(cc1OC)OC	BindingDB_PC-id_1050766,ChEMBL-DNDi_CHEMBL1611354,CoCoCo_866393,EMOLS-id_2184780,MCULE-7296294135,BindingDB-id_69181,PC-id_1050766,TIMTEC75950,ZINC22_4664766	455.527	BIJQPMOXXWUEKD-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144292
c1(c2CCCc2sc1NC(=O)CNCc1ccco1)C(=O)Nc1c(OC)ccc(OC)c1	MCULE-4913249403,EMOLS-id_2187014,CoCoCo_869441,ZINC22_6552866,PC-id_1329004,CHEMBL1506815	455.527	HFLPYINSTNSLOA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144293
c1(C(c2ccc(cc2)OC)CC(=O)NCCc2cn3c(SCC3)n2)oc(C)cc(=O)c1O	STOCK1N-98794,CNP0206433,PC-id_135640774,MCULE-9446274992,EMOLS-id_313465427	455.527	KOVBHRRRYQSTEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144294
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C(=O)OCC)C2)sc2c(CCC2)c1C(=O)NC	MCULE-1579499741,EMOLS-id_334330328	455.527	FPKVKCBECYNSPS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144295
CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)sc2c1CCC2	PC-id_2387767,ZINC22_3271582,CoCoCo_2782897	455.527	KSNAHPSBCUPTGI-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144296
CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)sc2c1CCC2	PC-id_2387769,ZINC22_3271584,CoCoCo_2782896	455.527	KSNAHPSBCUPTGI-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144297
CCOC(=O)c1c(NC(=O)CN2C(=O)N(C(C2=O)C)c2ccc(cc2)C)sc2c1CCC2	PC-id_4292137,MCULE-5723500900,EMOLS-id_3067585	455.527	KSNAHPSBCUPTGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144298
CCOC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(CC)c2ccccc2)sc2c1CCC2	PC-id_4025297,MCULE-5082800341,EMOLS-id_3408053	455.527	LLDVYCXPFGNKBB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144299
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)sc2c1CCC2	CoCoCo_2791150,PC-id_41014686,ZINC22_9317578	455.527	LLDVYCXPFGNKBB-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144300
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)sc2c1CCC2	PC-id_41014685,CoCoCo_2791149,ZINC22_9317577	455.527	LLDVYCXPFGNKBB-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144301
COc1ccc([C@@H](CC(=O)NCCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)cc1	ZINC22_1547139159	455.527	KOVBHRRRYQSTEM-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144302
COc1ccc([C@H](CC(=O)NCCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)cc1	ZINC22_1547139161	455.527	KOVBHRRRYQSTEM-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144303
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C)C)C(=O)OCC	PC-id_42964693	455.527	KZOGDTQSBLYJLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144304
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(cc1)C)C)C(=O)OCC	PC-id_51712241	455.527	KZOGDTQSBLYJLQ-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144305
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(cc1)C)C)C(=O)OCC	PC-id_51712242	455.527	KZOGDTQSBLYJLQ-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144306
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1c(cccc1)C)C)C(=O)OCC	PC-id_56473448	455.527	WPRZGIDLIAIFMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144307
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2N=C(CC2)C)cc1)C(=O)OCC	PC-id_55702243	455.527	NAPHUYZMJBKKSI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-144308
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CN(C(=O)C1)c1ccc(cc1)CC)C(=O)N	PC-id_4037022	455.527	AVEZAWYQQLRHJP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144309
Cc1ccc(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_324867593	455.528	CNYRTVDTYOGXHM-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144310
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)ccc1O	EMOLS-id_324822520	455.528	OMFDGXBZUQVWKU-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144311
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1O	EMOLS-id_324821499	455.528	SWIKWPKRKONACZ-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144312
COc1cc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324834041	455.528	DBSPRFNSVQKLCK-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144313
COc1cc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324830450	455.528	RWAXICYKMLOKNJ-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144314
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1OC	EMOLS-id_324825079	455.528	KQKVRAAQNFUMTJ-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144315
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1OC	EMOLS-id_324823547	455.528	FLDBLRQUYLFMAC-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144316
COc1ccc(OC)c(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1	EMOLS-id_324824059	455.528	OOIYZGVVTSGIFF-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144317
n12c(=O)c(=Cc3cc(ccc3OC)OC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-7929333681	455.528	OOIYZGVVTSGIFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144318
n12c(=O)c(=Cc3cccc(OC)c3OC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6649628284	455.528	FLDBLRQUYLFMAC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144319
n12c(=O)c(=Cc3cccc(OCC)c3O)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6711997726	455.528	SWIKWPKRKONACZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144320
n12c(=O)c(=Cc3ccc(OC)c(OC)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-7578378327	455.528	KQKVRAAQNFUMTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144321
n12c(=O)c(=Cc3ccc(O)c(OCC)c3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-7946005517	455.528	OMFDGXBZUQVWKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144322
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CCOc1ccccc1	MCULE-9058218464	455.528	PSYYPDNJWXYKPS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144323
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1ccc(cc1)C	MCULE-2486755681	455.528	CNYRTVDTYOGXHM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144324
n12nc(nc1sc(=Cc1ccc(c(OC)c1)O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-4187801131	455.528	RWAXICYKMLOKNJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144325
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)Cc1ccccc1	MCULE-3281191217	455.528	DBSPRFNSVQKLCK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144326
O=c1n2nc(CCOc3ccccc3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324853488	455.528	PSYYPDNJWXYKPS-QJOMJCCJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144327
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_16947103	455.528	CXZAMNBZAKXNSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144328
c1(NC(=O)COc2cccnc2NC(=O)N2CC(C)OC(C)C2)sc2c(CCC2)c1C#N	EMOLS-id_321856441,MCULE-8600609126	455.53	PDPRILOPPCCYMM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144329
c1(NC(=O)COc2nonc2CC(=O)NCCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-2730730357,EMOLS-id_333685586	455.53	VWSBOHTUPOBORJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-144330
Cc1sc2c(n1)CN(C2)C(=O)[C@@H]([C@](C(=O)N[C@@H](c1ccc(cc1)n1cccn1)C)(O)C)O	SCHEMBL8214578,PC-id_57984801	455.53	UUYXZEICDDAXRF-OEVHLYDDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144331
s1c2CN(Cc2nc1C)C(=O)C(O)C(O)(C(=O)NC(c1ccc(n2nccc2)cc1)C)C	PC-id_76696099	455.53	UUYXZEICDDAXRF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144332
c1(NC(=O)COc2cccnc2NC(=O)NN2CCN(C)CC2)sc2c(CCC2)c1C#N	MCULE-7400559294,EMOLS-id_321875579	455.533	ZCHZZLMXZAZXJR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144333
s1cc(nc1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)O[C@H](CN(C)C)c1ncccc1)(C)C	PC-id_24765797	455.533	DVULJVVBWRDNIM-MRXNPFEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144334
CC1(C(=NOC(=O)CNSCNC(=O)ON[N+]2=CC=NC2(C)C)n2ccnc2S1)C	PC-id_88704046,SCHEMBL10995486	455.535	WNIYUOVGCCTOAU-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-144335
CCCCCCCC(=O)OC[C@@H](COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)O	PC-id_139790220	455.543	PQKOCSPYRUYAQJ-BGERDNNASA-N	00000010100000110000000010000000000000000000000000000000	25-01-144336
CCCc1cc(n[nH]c1=O)c1ccc(c(c1C)NC(=O)c1sc2c(c1)C(C(C2)(C)C)O)F	PC-id_143997149	455.545	OVYOTZIOPGDBFI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144337
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)N	EMOLS-id_22738297,PC-id_26843292,MCULE-1063871669,CoCoCo_5152995,ZINC22_15882444	455.55	FTRLGEALZWTOLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144338
CC1(c2c(CN1C(=O)OC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)C1CCOCC1)C	PC-id_89801004,SCHEMBL15252670	455.55	OSHSRMYYNFLARU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144339
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cnc(cc1)OCCc1ccccc1	SCHEMBL14055967,PC-id_89237368	455.55	OZCPHAPDAQXHAB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-144340
CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)cc1	EMOLS-id_44054501,PC-id_30796774,CoCoCo_4626358,ZINC22_23040852,MCULE-5974523782	455.55	URPGYEBUDMYXIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144341
CC(=O)c1sc(c2ccc(OCC(=O)Nc3sc4c(c3C(=O)N)CCC4)cc2)nc1C	CoCoCo_4143282,ZINC22_14184235,EMOLS-id_13507643,PC-id_17567056,MCULE-1881489227	455.55	LBYOEBHYZQDUSR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144342
CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)N	ZINC22_4177495,EMOLS-id_22697912,CoCoCo_4968361,MCULE-5485476023,PC-id_4181954	455.55	HVJQQCOVVCLXSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144343
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCCO1)C	PC-id_66941587,SCHEMBL1205747	455.55	UESCTJSLTZCFEA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144344
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCCO1)C	SCHEMBL1205743,BindingDB_PC-id_57523707,PC-id_57523707	455.55	UESCTJSLTZCFEA-MUMRKEEXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144345
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCOCC1)C	PC-id_58015572,SCHEMBL12879393	455.55	OSHSRMYYNFLARU-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144346
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2c(cccc2)C)cc1	PC-id_24634819	455.55	VNNBFZCMUBXAHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144347
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(cc2)C)cc1	PC-id_26872758	455.55	PVVPNPHXERHJEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144348
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccc(cc2)C)ccc1	PC-id_24414321	455.55	FTWPYISEENWNIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144349
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(nc(cc1)c1sccc1)C)C)C(=O)N	PC-id_37547764	455.55	AWANHJMYMSYWAP-GFCCVEGCSA-N	00000010100100101000100010000000000000000000000000000000	25-01-144350
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(nc(cc1)c1sccc1)C)C)C(=O)N	PC-id_37547765	455.55	AWANHJMYMSYWAP-LBPRGKRZSA-N	00000010100100101000100010000000000000000000000000000000	25-01-144351
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(nc(cc1)c1sccc1)C)C)C(=O)N	PC-id_74658201	455.55	AWANHJMYMSYWAP-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-144352
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)C=Cc1ccccc1)C(=O)OCC	PC-id_4361707	455.55	SNBQAQOIGRFNNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144353
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)/C=C/c1ccccc1)C(=O)OCC	PC-id_6079991	455.55	SNBQAQOIGRFNNB-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144354
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)NC(=O)C1CC1c1ccccc1)C	SCHEMBL15252705,PC-id_89801036	455.551	PQOGAHCQEPJCBD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144355
O=C([C@@H]1C[C@H]1c1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_58015588,SCHEMBL12879428	455.551	PQOGAHCQEPJCBD-ITTUMRLJSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144356
s1c2c(CCC2)c(c1NC(=O)CSc1sc(nn1)N=C(OCC)[O-])C(=O)OCC	PC-id_40127073	455.552	ICZZJBSPLAFDGQ-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-144357
c1(NC(=S)NC(=O)c2ccc(c(N(=O)=O)c2)N2CCCCC2)sc2c(CCC2)c1C#N	ZINC22_16384455,CoCoCo_562300,EMOLS-id_2512165,MCULE-1535680313,PC-id_2977889,SPECS-id_AN-153/I263176	455.553	STOVAIAGJQMCEZ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-144358
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nnc1c1cccnc1	EMOLS-id_3174786,PC-id_2414461,MCULE-6494466115,CoCoCo_3799164,ZINC22_3298851	455.553	LQVINOGVVAGEIZ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144359
CN(c1c(cnn1C)C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)c1ccc(C)cc1	PC-id_108802195,EMOLS-id_182619285,MCULE-3567320865	455.553	HYQDNWWGMFFVCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144360
CN(CC(NC(=O)N1Cc2c(C1(C)C)n(nc2NC(=O)c1ccc(cc1)NC(=O)C)C)C)C	PC-id_145111606	455.553	DXGJHFFYVDNCDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144361
COCCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508218,SCHEMBL6376148	455.553	LAAXTVQJXMKWOS-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144362
COCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	BindingDB_PC-id_66738831,PC-id_66738831,SCHEMBL597065	455.553	YXZVORXUJXSEOY-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144363
OCC[C@@H]1CN([C@H](CN1CCC)C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL6375504,PC-id_59508230	455.553	XLTWDIHGBRCAPW-RPCGPGEBSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144364
OCCCN1CC(C)N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	BindingDB_PC-id_66739057,PC-id_66739057,SCHEMBL597973	455.553	CAKCPHKUYJYOEU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144365
OCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508367,SCHEMBL10076801	455.553	CAKCPHKUYJYOEU-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144366
OC[C@@H](CN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_59508329,SCHEMBL6378053	455.553	WUKACVLKPDYSHD-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144367
OC[C@H](CN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	SCHEMBL6378046,PC-id_59508334	455.553	WUKACVLKPDYSHD-HOTGVXAUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144368
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccncc1)CC=C)C(=O)OC	PC-id_17265091	455.553	SMZCBUZOMAEDNO-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144369
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)CC=C)C(=O)OC	PC-id_20127101	455.553	FNMZUJQRLBBLSF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144370
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1scc(n1)CC(=O)NC	PC-id_49706304	455.553	WRGKEHYOYFFGAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144371
s1c2CCCc2c(c1NC(=O)CSc1n(N)c(nn1)CNc1ccc(OC)cc1)C#N	PC-id_17288650	455.556	OGJLXPGOMUGDBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144372
c1(c2CCCc2sc1NC(=O)CN1CCCCC1)C(=O)Nc1ccc(cc1)C(=O)OCC	CoCoCo_866488,EMOLS-id_2184834,MCULE-1840106326,ZINC22_16192928,PC-id_1328420	455.57	QKGFZHVRQGCOQN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144373
c1(c2CCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccccc1C(=O)OC	PC-id_1328830,MCULE-7429638021,EMOLS-id_1998029,CoCoCo_868545,ZINC22_16193226,ChEMBL-DNDi_CHEMBL7013767	455.57	TXKPULFZXNTADV-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-144374
c1(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389015,MCULE-1743685560	455.57	WZWMXBPTKBLVGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144375
c1(NC(=O)CCc2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7696448212,EMOLS-id_334334893	455.57	AIDHYUQYFLREJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144376
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)Cc1ccc(cc1)S(=O)(=O)C(C)C	PC-id_92109455	455.57	FAYWPIQZBIXXAP-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144377
s1c2CCCc2cc1C(=O)NNC(=O)C1C(N(C(=O)C1)CCCC)c1ccc(OC)cc1	PC-id_46524102	455.57	LXAJJLMUMSNAQH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144378
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OCC	PC-id_22197370	455.57	PPIZDTKFAZZJFZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144379
s1c2c(CCC2)c(c1NC(=O)CNc1c(cc(C(=O)N2CCCC2)cc1)C)C(=O)OCC	PC-id_56250245	455.57	VOXSVOUCEPRNTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144380
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCC1=CCCCC1	PC-id_16948003	455.57	RGHPDRFOTCRBCJ-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-144381
c1(NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8868729206,EMOLS-id_334330798	455.571	INONUWXJFGVSGD-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-144382
s1c2CCCc2c(c1NC(=O)CSc1n(CC(C)C)c(nn1)c1c(F)cccc1)C#N	PC-id_16496291	455.571	WLUDGAAXTMSSIT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144383
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CC)sc2CCCc2c1C#N	EMOLS-id_331927061,MCULE-2641677326	455.573	NFCDOOUOVDWAHK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144384
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(NC(=O)Nc2ccccc2)CC1)C)C(=O)N	PC-id_56012805	455.573	JGOUDOYIRKSVJE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144385
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(c(cc3)C)C)n(nc2C1)CC(=O)NCCC	PC-id_44052930	455.573	UYHCSMYNVUWJTC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144386
N#Cc1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(c(c1)C)C#N	SCHEMBL18367963	455.575	GVNQGJMKNRSNRZ-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144387
CCOc1cc(cc(c1OCC)OCC)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109770	455.59	AZJNBZHPSXXRCD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144388
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(c(cc(c1)C)C)C)C(=O)OC	PC-id_19489023	455.59	XRJUYSLEPPITMQ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-144389
s1c2c(CCC2)c(c1NC(=O)c1scc(c1)COc1c(cc(cc1C)C)C)C(=O)OC	PC-id_19501155	455.59	CPEKIYWJLXTVCZ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-144390
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[N@@H+]1CC[C@H](CC1)C(=O)NCc1ccccc1	GD-id_ZINC15032162	455.593	KMZAIPRUJZACQE-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-144391
CN1Cc2c(C1)c(cs2)CS(=O)(=O)c1ccc(cc1)NC(=O)NC(c1ccccc1)C	SCHEMBL19377319	455.593	DMQYFULNSRLHHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144392
CN1Cc2c(C1)c(cs2)CS(=O)(=O)c1ccc(cc1)NC(=O)N[C@@H](c1ccccc1)C	SCHEMBL19377318	455.593	DMQYFULNSRLHHW-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144393
O=C(NC(c1ccccc1)C)Nc1ccc(cc1)S(=O)(=O)Cc1sc2c(c1)CN(C2)C	SCHEMBL19377157	455.593	IUWYJPFLJQXKMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144394
O=C(N[C@@H](c1ccccc1)C)Nc1ccc(cc1)S(=O)(=O)Cc1sc2c(c1)CN(C2)C	SCHEMBL19377156	455.593	IUWYJPFLJQXKMS-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144395
s1c2CCCc2c(c1NC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1)C#N	PC-id_4955518	455.593	OKCGYACSCSQLDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144396
S(=O)(=O)(N(C(C)C)Cc1ccccc1)c1ccc(cc1)C(=O)Nc1sc2CCCc2n1	PC-id_43947094	455.593	YIVMMGBSGVJJBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144397
CSc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324832500	455.594	AUMUGTINRNUORK-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144398
n12nc(nc1sc(=Cc1ccc(SC)cc1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-2425916677	455.594	AUMUGTINRNUORK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144399
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1sccc1	PC-id_41087820	455.595	QCVOGNOZCMGFMW-UHFFFAOYSA-O	00000010100110000001000010000000000000000000000000000000	25-01-144400
c1(NC(=O)CSc2nnc(c3ccccc3)n2CCCC)sc2c(CCC2)c1C(=O)N	ASN-03931997,EMOLS-id_6512287,MCULE-8231703106,ZINC22_6481690,PC-id_3180974	455.596	NKSCQKOLUNJOGR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144401
CC1(c2c(CN1C(N[C@H](CN(C)C)c1ccccc1)O)c(n[nH]2)NC(=O)[C@@H]1CCCNC1)C	PC-id_137509770,SCHEMBL20754618	455.596	SKOPUPXRKLQMIW-AVUCRCDLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144402
CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9586380,CoCoCo_4179965,PC-id_41135622	455.596	BLIVOPAPABRBRI-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144403
CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9586384,CoCoCo_4179966,PC-id_41135624	455.596	BLIVOPAPABRBRI-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144404
CCn1c(nnc1Cc1ccccc1)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_11813335,PC-id_16365406,SCHEMBL20936277,MCULE-1827138832	455.596	BLIVOPAPABRBRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144405
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(ccc1)C)C(=O)N	PC-id_29345249	455.596	YMXVBPKDWOTABA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144406
CCCCCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1F)C	PC-id_20351608,SCHEMBL11602407	455.605	IMRRKPGHMKHHIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144407
c1(NC(=O)CSc2scc(c3ccc(cc3)OC(C)C)n2)sc2c(CCC2)c1C#N	EMOLS-id_324926754,MCULE-4807829344	455.616	PETDJUMDCHHREI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144408
c1(NC(=O)CSc2scc(c3ccc(OCCC)cc3)n2)sc2c(CCC2)c1C#N	EMOLS-id_324917038,MCULE-9314853607	455.616	FVJWHOJLPGIOIT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144409
OC1CCN(CC1)C(=O)Cc1ccc(cc1)N1CCC(CC1)NCc1nc2n(c1)CCS2	CoCoCo_1475355,CoCoCo_1475354,PC-id_42431733	455.616	CLCKRQOFBHDIBI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144410
s1c2CCCc2c(c1NC(=O)CSc1n(CC)c(nn1)CSc1ccccc1)C#N	PC-id_39809432	455.619	BULXNQKQRNZHTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144411
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CSc1ccc(cc1)C)C)C#N	PC-id_21013195	455.619	RZHDLHHLUYUQAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144412
COc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882948	455.625	HWKDDNURQQZWSG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144413
COc1ccc(cc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882960	455.625	GXERBAIEFXUNHU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144414
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C	PC-id_140817071	455.625	ZMRYMVQKQXGMRO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-144415
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C	PC-id_141630839	455.625	ZMRYMVQKQXGMRO-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-144416
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(Oc1cccnc1)C	PC-id_140817094	455.625	LFBCQBKETJIFEB-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-144417
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)C(Oc1cccnc1)C	PC-id_145072795	455.625	DZFCPASMUNXQOI-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-144418
s1c2CCCc2c(c1NC(=S)NC(=O)C(CCCOc1c(ccc(c1)C)C)(C)C)C#N	PC-id_54784318	455.636	KVZDOHGHMCAKGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144419
OCC(C(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)(C)C	SCHEMBL19542220	455.658	QRDXBIGLCCSRAS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-144420
CC(C)(C)OC(=O)N1Cc2c(C1)n(c(n2)C(=O)Nc1c(c(ccc1)Br)Cl)C	PC-id_135147886,SCHEMBL20295572	455.733	NYLOBSSBHGAYPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144421
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2nn(cc2Cl)Cc2cn(nc2C)CC)n1	TIMTEC111029,ZINC22_20607514,PC-id_19591240,MCULE-2851402792,EMOLS-id_8868024	455.865	CVNFABCDVQPCEL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144422
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2nn(cc2Cl)Cc2cnn(CC)c2C)n1	EMOLS-id_8867517,PC-id_19591007,TIMTEC322589,ZINC22_20607516,MCULE-5094986438	455.865	MXLSFVYBRYNBLM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144423
CCC(C(=O)Nc1nn(Cc2cnn(C)c2)cc1Cl)n1nc(c2CCCc12)C(F)(F)F	TIMTEC437579,PC-id_19591022,EMOLS-id_8867547,MCULE-1697995668	455.865	RVZUEZCJCYLEPM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144424
CC[C@@H](C(=O)Nc1nn(Cc2cnn(C)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092594,ZINC22_20607734	455.865	RVZUEZCJCYLEPM-AWEZNQCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144425
CC[C@H](C(=O)Nc1nn(Cc2cnn(C)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092595,ZINC22_20607735	455.865	RVZUEZCJCYLEPM-CQSZACIVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144426
Clc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1)C(=O)c1c(S(=O)(=O)OC)cccc1	SCHEMBL11261290,PC-id_54348838	455.866	UEFYEQBNKSQWCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144427
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(cc2)C(=O)OC)cc1	PC-id_16947420	455.914	GHLDQIFVJANZLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144428
COc1cc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_27022629	455.914	FISSFZUVBLNUCH-PXYULHTISA-N	00000000100000110001000010000000000000000000000000000000	25-01-144429
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_45964847,ZINC22_16735452	455.914	FISSFZUVBLNUCH-YKYHQJSKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144430
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8222957518	455.914	FISSFZUVBLNUCH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144431
Clc1ccc(cc1)CS(=O)(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479482,SCHEMBL5535951	455.916	AOIKDPNYEIXPBE-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144432
Clc1ccc(cc1)CS(=O)(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479484,SCHEMBL5535957	455.916	AOIKDPNYEIXPBE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144433
COc1cc[nH]c1/C=C/1C(=O)Nc2c1cc(s2)C(=O)NCC(=Nc1cccc(c1)Cl)N	PC-id_142105686	455.917	SMNNUDPMLHJVRQ-JYRVWZFOSA-N	00000010110000110000000010000000000000000000000000000000	25-01-144434
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccc(cc2)Cl)n(C)nc2CSCc12	MCULE-4378690576	455.957	MQGPUNTVOFACEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144435
c1(NC(=O)C(C)Oc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-3025059188,PC-id_18884015	455.957	LJHQKRVTPKVXPP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-144436
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-7944806830,PC-id_18884019	455.957	GPVSCNOXTURILV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-144437
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-7976370084,PC-id_18884009	455.957	ZPFAQAFMTWIIJE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-144438
Clc1ccc(CCNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)cc1	PC-id_16947944	455.957	SSOZIOQZLJPWNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144439
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCc2ccc(OC)cc2)cc1	PC-id_16947388	455.957	PIKOQDWEXOUNTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144440
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCc2cc(OC)ccc2)cc1	PC-id_16947461	455.957	JYBQMPPPXNTTOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144441
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCc2c(OC)cccc2)cc1	PC-id_16947386	455.957	OESOKUWLJLHEHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144442
COc1cc(/C=C/C(=O)Nc2c3CSCc3nn2C)ccc1OCc1ccc(Cl)cc1	EMOLS-id_334562744	455.957	MQGPUNTVOFACEV-UXBLZVDNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144443
O=C(NC[C@H]1CCCN1C(=O)c1cnc(c2ccccc2Cl)s1)c1occ2c1CCC2	ZINC22_2325828045	455.957	XLOASXLQMKAFKV-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144444
Clc1sc(c2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_3415756	455.959	YNQVTKJLEKZFAZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-144445
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_41319550	455.975	QYGVOCFBLKEOQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144446
CC1OC(C)CN(C1)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1sc2c(n1)CCC2	MCULE-5818580694,EMOLS-id_17205351,PC-id_45354260	455.979	XRWMVNQETPCLIR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144447
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2Cl)C[C@@H](C)O1	CoCoCo_4109975,ZINC22_15636870,PC-id_26723356	455.979	XRWMVNQETPCLIR-VXGBXAGGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144448
C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2Cl)C[C@H](C)O1	CoCoCo_4109976,PC-id_26723358,ZINC22_15636873	455.979	XRWMVNQETPCLIR-RYUDHWBXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144449
C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2Cl)C[C@@H](C)O1	PC-id_26723357,CoCoCo_4109974,GD-id_ZINC15636872,ZINC22_15636872	455.979	XRWMVNQETPCLIR-TXEJJXNPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144450
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	BindingDB_PC-id_44324221,PC-id_44324221,CHEMBL90038	455.979	ISKFTNYOWKXAPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144451
Clc1ccc(S(=O)(=O)NC(C(C)C)C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_74293262	455.979	KDACJNWJMRBQKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144452
Clc1ccc(S(=O)(=O)N[C@@H](C(C)C)C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_24540831	455.979	KDACJNWJMRBQKH-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144453
Clc1cc(S(=O)(=O)NC(C(C)C)C(=O)NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_74293259	455.979	RLRVHBBXUMKPRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144454
Clc1cc(S(=O)(=O)N[C@@H](C(C)C)C(=O)NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_24540826	455.979	RLRVHBBXUMKPRR-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144455
Clc1ccc(c2n(c(SCC(=O)Nc3sc4CCCc4c3C#N)nn2)CC=C)cc1	PC-id_24518574	455.984	MGSAZMLDQWPRAI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144456
COc1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl	SCHEMBL18367929	456	SSZHDGBEXMZDJC-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144457
Clc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1sc2CCCc2c1C#N	PC-id_18581505,EMOLS-id_5605599,ZINC22_10186897,MCULE-6089133809,CoCoCo_5174777	456.002	GZJVUKOFBRVFLJ-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-144458
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_44027695	456.002	UMSFHAKKDXUPAM-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-144459
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_44028866	456.002	PKQBRSAMNZRFDW-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-144460
CC(CO)NS(=O)(=O)NC1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278823	456.078	ZIBOZRJAFNRIPL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144461
C1C2=CN(N=C2CN1C(=O)C(C3=C(C=CC=N3)F)O)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931937	456.083	DOWQFFPMTOWVDQ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144462
C1C2=CN(N=C2CN1C(=O)C(C3=C(C=CC=N3)F)O)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931917	456.083	WXJBORCMBGPBBZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144463
C1C2=CN(N=C2CN1C(=O)[C@H](C3=C(C=CC=N3)F)O)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931941	456.083	DOWQFFPMTOWVDQ-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144464
C1C2=CN(N=C2CN1C(=O)[C@@H](C3=C(C=CC=N3)F)O)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931948	456.083	DOWQFFPMTOWVDQ-MRXNPFEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144465
C1C2=CN(N=C2CN1C(=O)[C@H](C3=C(C=CC=N3)F)O)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931936	456.083	WXJBORCMBGPBBZ-INIZCTEOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144466
C1C2=CN(N=C2CN1C(=O)[C@@H](C3=C(C=CC=N3)F)O)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931957	456.083	WXJBORCMBGPBBZ-MRXNPFEDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144467
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278697	456.088	IVGSISCSAUPROS-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-144468
Brc1c(OCC(=O)Nc2sc3CCCc3c2C#N)ccc(Br)c1	PC-id_16540618	456.152	YQMVLFARQBVZOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144469
COc1c(Br)cc(Br)cc1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_14273251,PC-id_17111571	456.152	SJEQIHUHITZEGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144470
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNNN1)C(=O)Nc1cc(c(cc1)F)F	PC-id_163785227	456.172	MRYUVSDIQDABGC-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-144471
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=NN)C=N)C(=O)Nc1cc(c(cc1)F)F	PC-id_164175564	456.172	JPXWNUCTVCNUNI-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-144472
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=CNNN4)C(=O)NC5=CC(=CC(=C5)F)F	PC-id_146725241	456.172	RGFWTCVENNVACQ-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-144473
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=CNNN4)C(=O)NC5=C(C=C(C=C5)F)F	PC-id_152846481	456.172	TUDKWNZOWCTOEX-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-144474
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2CCC3=CC=C(C=C3)C=O	PC-id_151559237	456.172	QCCVXRLFDJYPKD-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144475
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)CCC3=CC=C(C=C3)C=O	PC-id_151005535	456.172	LUZVNHJQTBZQBI-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144476
C[C@@H](c1ccc(cc1)C(=C)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1	PC-id_163809062	456.177	DJZFVQLRCBXFJH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144477
ClC1=C(C(c2n1nc(NC(=O)Nc1cc(NC)ccc1Cl)c2C#N)C#N)C(F)(F)F	PC-id_22095143	456.209	CWXMQCFPGZZTMW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-144478
CCOC(=O)N1C2=C(CN(C2)C(=O)O)C(=N1)NC(=O)C3=CC=C(C=C3)N4CCN(C(C4)C)C	PC-id_153813401	456.212	AMMYXHIFDPUSJJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144479
CC1(c2c(CN1C(=O)Nc1ccc(cc1)OC)c(n[nH]2)NC(=O)C1(CCC1)[SiH-](C)(C)C)C	PC-id_163730111	456.244	KYWQWMFZNKYWII-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144480
Brc1cc(F)c(Nc2n(c3c(CCC3=O)c2C(=O)NOC[C@@H](O)CO)C)cc1	PC-id_25125506,SCHEMBL4789154	456.263	OFPQNXFMENUQMH-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-144481
Brc1cc(F)c(Nc2n(c3c(CCC3=O)c2C(=O)NOC(CO)CO)C)cc1	PC-id_25125507,SCHEMBL4789502	456.263	OGIRALQDPXENRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144482
Cn1c2c(CCC2=O)c(c1Nc1c(cc(cc1)Br)F)C(=O)NOCC(CO)O	PC-id_87728769,SCHEMBL4789158	456.263	OFPQNXFMENUQMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144483
C=C(C1=NN(C2=C1CCC2)CCC3CCN(CC3)C4=C(C(=CC=C4)F)F)N5CCC(CC5)O	PC-id_153565219	456.27	YNXQVZYIDIHFRT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144484
Ic1ccc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	PC-id_46861313,EMOLS-id_31548324,MCULE-3190419100	456.276	MNJJGXZDRLPJQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144485
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(I)cc1	PC-id_52340476,ZINC22_51364525	456.276	MNJJGXZDRLPJQS-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144486
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(I)cc1	PC-id_52340477,ZINC22_51364526	456.276	MNJJGXZDRLPJQS-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144487
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5CCCCC5	PC-id_152667889	456.31	ZKXDDBKQEZHSAB-KDURUIRLSA-N	00000010100010000001100010000000000000000000000000000000	25-01-144488
COc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324916489	456.312	OCSGLIHSNKMNRP-UQQCGOLSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144489
n12nc(nc1sc(=Cc1cc(Br)ccc1OC(=O)C)c2=O)Cc1ccccc1	MCULE-3345461584	456.312	MKHINMBXFXUFLR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144490
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)C=Cc1ccccc1	MCULE-9490014903	456.312	OCSGLIHSNKMNRP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144491
Brc1ccccc1C(=O)Nc1sc2CCCc2c1C(=O)NCc1cccnc1	EMOLS-id_2531718,MCULE-3680155806,PC-id_2991395,GD-id_ZINC08846150,ZINC22_8846150,TIMTEC112067,CoCoCo_1023206	456.356	CWRDJNCCIOJUIZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-144493
Brc1cc(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)cc1)C	PC-id_16947124	456.356	ABZDOCHBVJXWKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144494
Brc1c(cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccccc2)cc1)C	PC-id_16947129	456.356	MXDIGMADNPIWEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144495
Brc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)cc1	PC-id_16947568	456.356	GXHKECYQGWXDKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144496
Brc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)ccc1	PC-id_16947567	456.356	ZLRSMMSDVGGMKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144497
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883967,MCULE-1343633307	456.356	KOGRGHMSNGATHS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-144498
Clc1sc(Cl)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(F)cccc1)CC2=O	PC-id_11532620	456.361	RDVCXGRRUKPBSJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144499
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	EMOLS-id_320631781,MCULE-9623012692	456.366	UNWKDOIBMGPQHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144500
c1(NC(=O)CS(=O)CC(=O)Nc2cccc(Cl)c2Cl)sc2c(CCC2)c1C#N	EMOLS-id_320681818,MCULE-5323550581	456.366	VBGBYTUIMOWHFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144501
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_320687443,MCULE-9245017045	456.366	QSQNNKHUYYGSRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144502
c1(NC(=O)CS(=O)CC(=O)Nc2cc(cc(Cl)c2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_320722497,MCULE-3367991459	456.366	WYCIUUCQMIXLFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144503
c1(NC(=O)CS(=O)CC(=O)Nc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C#N	EMOLS-id_320700751,MCULE-9013643747	456.366	ZLMOKGDOPQHDOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144504
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C	GD-id_ZINC16636326	456.366	LEVSDDDYFUQPTI-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-144505
O=C(N1Cc2c(C1)nc(o2)C(=O)O)OCc1ncc(cc1NC(=O)C(C)(C)C)C(F)(F)F	PC-id_142427945	456.373	WVCRVDZYTQVCMO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-144506
Brc1ccc(s1)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109632	456.377	SMJDGPCPSRLMJP-UHFFFAOYSA-N	00000010101100000001000010000000000000000000000000000000	25-01-144507
c1(c2CCCc2sc1NC(=O)C(CC)Oc1c(Cl)ccc(Cl)c1)C(=O)OC(C)C	PC-id_4606560,MCULE-4138691425,SPECS-id_AK-968/41017672,TIMTEC393195,EMOLS-id_4141832	456.383	PYIPPYVIMQKOII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144508
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-8130908830,PC-id_18848832	456.383	XIYULCIPPRZUMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144509
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-3613394216,PC-id_18848754	456.383	PBNZZCILZOTLOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144510
CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC2	CoCoCo_5807268,PC-id_40442693,ZINC22_2789104	456.383	PYIPPYVIMQKOII-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144511
CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC2	PC-id_40737273,ZINC22_8454385,CoCoCo_5807267	456.383	PYIPPYVIMQKOII-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144512
CCC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	BindingDB-id_435280,BindingDB_PC-id_118483315,PC-id_118483315,SCHEMBL17222852	456.409	DKKZZDVJQMFYCP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144513
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1335127499,EMOLS-id_334341539	456.429	KONNTPUPJOMCSN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144514
COc1ccccc1OCc1nc2s/c(=Cc3cc(OC)c(O)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324870147	456.429	GPMVUZFBEAJQBY-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144515
COc1cccc(OCc2nc3s/c(=Cc4cc(OC)c(O)c(c4)[N+](=O)[O-])/c(=O)n3n2)c1	EMOLS-id_324876293	456.429	SQWKCRFBGMXDTI-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144516
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1ccccc1OC	MCULE-1648636909	456.429	GPMVUZFBEAJQBY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144517
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1cccc(OC)c1	MCULE-3496758081	456.429	SQWKCRFBGMXDTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144518
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(COCC(F)(F)F)cc1)C(=O)N	PC-id_46681210	456.435	MDCOMHOSQUAEAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144519
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1cccc(n1)C(F)(F)F)C	PC-id_89796604,SCHEMBL12145114	456.464	LFMULEUNOKNNHA-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144520
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nccc(c1)C(F)(F)F)C	SCHEMBL12145120,PC-id_89796584	456.464	HNIOZYZFLKHSQS-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144521
CC1(C)N(Cc2c(Nc3cccc(n3)C(F)(F)F)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1	BindingDB_PC-id_91899632,BindingDB-id_218917	456.464	LFMULEUNOKNNHA-IURRXHLWSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144522
CC1(C)N(Cc2c(Nc3cc(ccn3)C(F)(F)F)n[nH]c12)C(=O)NC1C[C@@H]1c1ccccc1	BindingDB-id_218915,BindingDB_PC-id_68317307,SCHEMBL12559983,PC-id_68317307	456.464	HNIOZYZFLKHSQS-LDCVWXEPSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144523
FC(F)(F)c1cc(Nc2n[nH]c3C(N(C(=O)N[C@@H]4C(C4)c4ccccc4)Cc23)(C)C)ncc1	PC-id_59474148,SCHEMBL12143764	456.464	HNIOZYZFLKHSQS-LWKPJOBUSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144524
FC(F)(F)c1cc(Nc2n[nH]c3C(N(C(=O)N[C@H]4[C@@H](C4)c4ccccc4)Cc23)(C)C)ncc1	PC-id_67008458,SCHEMBL1369748	456.464	HNIOZYZFLKHSQS-DOTOQJQBSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144525
FC(F)(F)c1nc(Nc2n[nH]c3C(N(C(=O)N[C@@H]4C(C4)c4ccccc4)Cc23)(C)C)ccc1	SCHEMBL12143767,PC-id_59474233	456.464	LFMULEUNOKNNHA-WMCAAGNKSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144526
FC(F)(F)c1nc(Nc2n[nH]c3C(N(C(=O)N[C@H]4[C@@H](C4)c4ccccc4)Cc23)(C)C)ccc1	SCHEMBL1369074,PC-id_67008221	456.464	LFMULEUNOKNNHA-GOEBONIOSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144527
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(n1)C(F)(F)F)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247500	456.464	LFMULEUNOKNNHA-ZBFHGGJFSA-N	00100010100000111001100010000000000000000000000000000000	25-01-144528
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1nccc(c1)C(F)(F)F)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247472	456.464	HNIOZYZFLKHSQS-WBVHZDCISA-N	00100010100000111001100010000000000000000000000000000000	25-01-144529
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N)ccc1F)C(=O)OC	PC-id_24374970	456.465	MBTKHBVZBRWERE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144530
FC(C(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1)c1ccccc1	PC-id_68439209,SCHEMBL2914420	456.468	LWWFAJHAURBMGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144531
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)OC	PC-id_45630574	456.468	QZCOUJFVDCLEPQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144532
CC(C)C(=O)Nc1sc2c(c1C(=O)OCc1nnc(c3ccc([N+](=O)[O-])cc3)o1)CCC2	MCULE-6842123819,ZINC22_9508207,EMOLS-id_15242742,CoCoCo_2879733,PC-id_4848777	456.472	FPSSCXWPNHFQQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144533
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)N	PC-id_27977055	456.472	NCXKHGJLPGHTPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144534
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C(=O)N	PC-id_56109118	456.472	KLZSJMSWMLMVDS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144535
CCCCCCCCC(N1C(=O)c2c(C1=O)c(sc2)Br)CCCCCCC	PC-id_144148806	456.48	FHJDSWSCEXZWJV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144536
CCS(=O)(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20589939,PC-id_86268341	456.482	FEBHABGDJOSHMX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144537
Cn1c2c(CN(C2)S(=O)(=O)C)c(n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_137456342,SCHEMBL20695662	456.482	SMGHYYDIVCAPGC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144538
N[C@H]1C[C@H](COC1c1cc(F)c(cc1F)F)CN1Cc2c(C1)cn(n2)S(=O)(=O)C1CC1	PC-id_143996133	456.482	HDUMDSUKKNUWCS-BWXBYEHLSA-N	00100010100010110001100010000000000000000000000000000000	25-01-144539
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(cc1)c1c(F)cccc1)C(=O)N	PC-id_55441505	456.487	CLHPQKWGBIGUMV-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-144540
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1C)c1ccc(F)cc1)C)C(=O)N	PC-id_27541086	456.49	JRNKPWAQFOEMML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144541
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN(CC2)C(=O)OC(C)(C)C)cc1)C	PC-id_69635243,SCHEMBL6010707	456.492	AXJOLQRCJCYALE-HSZRJFAPSA-N	00000010100011110001100010000000000000000000000000000000	25-01-144542
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN(CC2)C(=O)OC(C)(C)C)cc1)C	PC-id_77712931	456.492	AXJOLQRCJCYALE-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-144543
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN(C(C(C)(C)C)C2)C(=O)O)cc1)C	PC-id_69635248	456.492	QEFOLYXQBHINIG-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-144544
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2=CCN([C@@H](C(C)(C)C)C2)C(=O)O)cc1)C	PC-id_69635257	456.492	QEFOLYXQBHINIG-FKSKYRLFSA-N	00000010100011110001100010000000000000000000000000000000	25-01-144545
OC(=O)CN1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1cccc(c1)C(=O)c1ccccc1	PC-id_44137294,SCHEMBL8025297	456.492	BTFDGBFMKJFBRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144546
OC(=O)CN1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1cccc(c1)C(=O)c1ccccc1	SCHEMBL8033202,PC-id_44137295	456.492	OZDFVLQDSREYDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144547
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccccc3[N+](=O)[O-])o2)sc2c1CCC2	PC-id_17334530,ZINC22_57316551	456.495	ZFXFCRIEVDTSDM-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-144548
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2	PC-id_4505663,ZINC22_16399964	456.495	ABGXOVJUYMGPMY-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-144549
c1(NC(=O)COc2c(F)ccc(F)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334334624,MCULE-7777328008	456.505	KSGNLVFCFGEZPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144550
CNC(=O)[C@H](C(C)C)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)C)F	PC-id_142295139	456.51	JBGUCHOMFNTYND-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144551
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6147149249,EMOLS-id_334338468	456.511	JRMOBPHRVBZACP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144552
CCOC(=O)c1c(NC(=O)C2CN(C(=O)C2)c2ccccc2C(=O)OC)sc2CCCc12	MCULE-2370510909,EMOLS-id_327865774	456.511	VFXAUGRBKRHWKD-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144553
s1c2CCCc2cc1C(=O)OCC1=C([C@H](NC(=O)N1)c1ccc(OC)cc1)C(=O)OCC	PC-id_40925302	456.511	AJUVFAPWDZYGMQ-HXUWFJFHSA-N	00000010100011110001100010000000000000000000000000000000	25-01-144554
s1c2CCCc2cc1C(=O)OCC1=C([C@@H](NC(=O)N1)c1ccc(OC)cc1)C(=O)OCC	PC-id_40925304	456.511	AJUVFAPWDZYGMQ-FQEVSTJZSA-N	00000010100011110001100010000000000000000000000000000000	25-01-144555
s1c2CCCc2cc1C(=O)OCC1=C(C(NC(=O)N1)c1ccc(OC)cc1)C(=O)OCC	PC-id_42985330	456.511	AJUVFAPWDZYGMQ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-144556
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)OCC	PC-id_42967447	456.511	RSWQCXHSRVFWOK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144557
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccccc1)NC(=O)C)C(=O)OCC	PC-id_3647717	456.511	HTQQSTSAUUCUKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144558
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1ccccc1)/NC(=O)C)C(=O)OCC	PC-id_42967961	456.511	HTQQSTSAUUCUKH-ATVHPVEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144559
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1cc(nn1C)c1cc(OC)ccc1OC	PC-id_121083965	456.515	DBHYYQUOPRODRP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144560
S1Cc2c(nn(c2NC(=O)Cc2cc(OC)c(OC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053308	456.515	KCUZSRWXVKGASJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144561
S1Cc2c(nn(c2NC(=O)COc2ccc(OCC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053302	456.515	RBJXUIWTQGXRRN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144562
c1(NC(=O)COc2cccnc2NC(=O)NCC(C)NC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_321872252,MCULE-4911338013	456.518	ZGOJBGAXGFNLRC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144563
c1(NC(=O)COc2cccnc2NC(=O)NCCCNC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_321875835,MCULE-9563559572	456.518	FVONHKGKFSXKNI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144564
Cc1ccc(NS(=O)(=O)c2ccc(NCCc3nnc4n3CCC4)c([N+](=O)[O-])c2)c(C)c1	MCULE-8312197556,PC-id_16230683,EMOLS-id_15213194,CoCoCo_4500077,ZINC22_8725738,GD-id_ZINC08725738	456.518	MWYFLXFQFZUFNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144565
c1(C(=O)N2CCC(CC2)C(Cc2ccc(cc2F)F)N(C)C(=O)C2CC2)c2CCCc2[nH]n1	MCULE-1036118480,PC-id_45185214,EMOLS-id_20463891	456.528	KJCKCWQTGOSLQM-UHFFFAOYSA-N	00100010100010110001000010000000000000000000000000000000	25-01-144566
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)CSc2n(C)cnn2)ccc1	PC-id_26052180	456.541	BRAHUXBBMIALMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144585
CN(C(=O)C1CC1)[C@@H](Cc1ccc(F)cc1F)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	CoCoCo_1219548,PC-id_42162564,CoCoCo_1219546,ZINC22_11782596	456.528	KJCKCWQTGOSLQM-QFIPXVFZSA-N	00100010100010110001000010000000000000000000000000000000	25-01-144567
CN(C(=O)C1CC1)[C@H](Cc1ccc(F)cc1F)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_11782597,CoCoCo_1219545,CoCoCo_1219547,PC-id_42162565	456.528	KJCKCWQTGOSLQM-JOCHJYFZSA-N	00100010100010110001000010000000000000000000000000000000	25-01-144568
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1c(C)nc(c2ccccc2)s1)C(=O)OC	EMOLS-id_17282874,PC-id_16644338,MCULE-1578980294	456.535	BTBICKQGQXZBPB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144569
COC(=O)c1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)sc2c1CCC2	ZINC22_20571165	456.535	YJJWIVYPOLUTGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144570
COC(=O)c1c(NC(=O)c2sc(c3ccccc3)nc2C)sc2c1[C@H](C(=O)OC)CC2	ZINC22_28540200,PC-id_35756079,CoCoCo_6604729	456.535	BTBICKQGQXZBPB-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144571
COC(=O)c1c(NC(=O)c2sc(c3ccccc3)nc2C)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_28540205,CoCoCo_6604728,PC-id_35756080	456.535	BTBICKQGQXZBPB-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144572
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1occc1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_40624977	456.535	HFLPYINSTNSLOA-UHFFFAOYSA-O	00000010101000110000000010000000000000000000000000000000	25-01-144573
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1occc1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_7313562	456.535	BIJQPMOXXWUEKD-UHFFFAOYSA-O	00000010101000110000000010000000000000000000000000000000	25-01-144574
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)c1ccc(cc1)C)C(=O)OC	PC-id_27776038	456.535	IBHVZCVHKNKOSN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144575
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)c1ccccc1)C(=O)OCC	PC-id_55393107	456.535	XKVPKBIVMMYPGD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144576
Cc1ccc(c(c1)N)N1CCC(CC1)CNC(=O)[C@@H]([C@H](C(=O)N1Cc2c(C1)cnn2C)O)O	PC-id_70330143,SCHEMBL8275469	456.538	NXDKJTUIJBOAAI-NHCUHLMSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144577
OC(C(=O)NCC1CCN(CC1)c1c(N)cc(cc1)C)C(O)C(=O)N1Cc2n(ncc2C1)C	PC-id_77825647	456.538	NXDKJTUIJBOAAI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144578
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1n(c2ccccc2)c(SC)nc1)C(=O)N	PC-id_29486817	456.538	FYVHMLVYQCKCKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144579
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1scc(n1)CC(=O)OCC	PC-id_16947133	456.538	OFFKKBPPRKVNAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144580
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)NC(=O)c1ccccc1)C(=O)OCC	PC-id_45550157	456.538	ZEZVWZKWBFJZTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144581
COc1ccccc1OCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335795128,MCULE-1417519751	456.541	SDDPSCCCQKVVMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144582
COc1ccc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	EMOLS-id_335792571,MCULE-5712340528	456.541	IOUVZIPPHCUFCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144583
O[C@H]1CN([C@@H](C1)C(=O)NC1CC(n2c1ncn2)C)C(=O)[C@H](C(C)(C)C)n1nnc(c1)C1CC1	PC-id_146151464	456.541	UFSMLWVBNOIDEH-DVUSSZBUSA-N	00100010100000000001100010000000000000000000000000000000	25-01-144584
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2cc(NC(=O)C)ccc2)cnn1)C(=O)N	PC-id_55567796	456.541	ZBRSCJJCSVGZLG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144586
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)CCO)C(=O)O	SCHEMBL20340301,PC-id_135188135	456.555	GSBIWXVZRDAPPK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144587
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8283243792	456.555	GPTQXGSDSNLXSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144588
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6328620817	456.555	YXHSIRIDHBHIHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144589
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9058549000	456.555	QLVWIPNAJGUVQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144590
c1(NC(=O)COc2ccccc2OCC=C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335145,MCULE-3776440167	456.555	UBDIUHJBBCITOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144591
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1OC	EMOLS-id_334332327	456.555	YXHSIRIDHBHIHS-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144592
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)c(OC)c1	EMOLS-id_334335398	456.555	GPTQXGSDSNLXSY-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144593
COc1ccc(OC)c(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)c1	EMOLS-id_334332334	456.555	QLVWIPNAJGUVQZ-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144594
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(OC)cccc1	PC-id_41733153	456.555	IHCZMQXAPQCCTJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144595
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4981866073,PC-id_19114747,EMOLS-id_334339236	456.556	XDVBQHJAHRAWLO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144596
S1Cc2c(nn(c2NC(=O)c2c(SC)cccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053743	456.556	VBYIQQQAQPHVLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144597
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1ccc(cc1)C(=O)OC	PC-id_2923696,CoCoCo_868623,CoCoCo_868624,EMOLS-id_2429181,TIMTEC300058,ZINC22_22939050,MCULE-4303197420	456.558	LYKSIWJYKYSLSN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144598
c1(NC(=O)COc2cn(c(cc2=O)C)CCCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_331632067,MCULE-9660960754	456.558	PIDQKGMTQPCVOA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144599
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331924509,MCULE-6649079167	456.558	KAILQQUUIWIJKA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144600
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331931410,MCULE-1378022728	456.558	PMPDOFPOOFZQNY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144601
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCOC)sc2CCCc2c1C#N	MCULE-5835718114,EMOLS-id_331922710	456.558	QNBLKWYMHCFMDY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144602
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCO)sc2CCCc2c1C#N	EMOLS-id_331930654,MCULE-5432126076	456.558	FKPYRMFUIRJPGI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-144603
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CC)sc2CCCc2c1C#N	MCULE-5295068021,EMOLS-id_331926295	456.558	DWNRYHOQEUTBCE-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-144604
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CC(C)C)sc2CCCc2c1C#N	MCULE-2501520095,EMOLS-id_331920149	456.558	FHFMJHIZDFWFOC-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-144605
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCC)sc2CCCc2c1C#N	MCULE-9533036153,EMOLS-id_331920153	456.558	ALGIHVSWFUTRPY-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-144606
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCC)sc2CCCc2c1C#N	MCULE-8916716029,EMOLS-id_331920914	456.558	AIIPXURBJTWRLQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144607
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CC2CCCO2)sc2CCCc2c1C#N	MCULE-4241288304,EMOLS-id_331921439	456.558	LEAGZLRCTGZRFO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144608
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CC=C)sc2CCCc2c1C#N	MCULE-9857790062,EMOLS-id_331923989	456.558	JZBJBRFEZBRUCE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144609
CCC(=O)Nc1ccc(c(c1)C)S(=O)(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109655	456.558	MUWGKVGZOWXOKJ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144610
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(CC1)C(=O)Nc1ccccc1O	PC-id_16368903,EMOLS-id_11818602,MCULE-6443224244	456.558	OMWRDQHIDDQCJF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144611
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(C(=O)Nc2ccccc2O)CC1	CoCoCo_4236922,CoCoCo_4236921,ZINC22_9593824,PC-id_41138361	456.558	OMWRDQHIDDQCJF-ZDUSSCGKSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144612
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCC(C(=O)Nc2ccccc2O)CC1	PC-id_41138364,CoCoCo_4236923,CoCoCo_4236924,ZINC22_9593829	456.558	OMWRDQHIDDQCJF-CYBMUJFWSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144613
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N(CCC#N)CCC#N	PC-id_45663338	456.558	UFQKEZIPRMXESG-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-144614
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C=CC=C2)C1)C(=O)NCCCOCC	PC-id_73537575	456.558	CAKMYMUWRIHROH-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-144615
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(N(CC)CC)cc1)C(=O)OCC	PC-id_4420645	456.558	RDBOSEWYZYJNQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144616
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(N(CC)CC)cc1)C(=O)OCC	PC-id_6105672	456.558	RDBOSEWYZYJNQX-ZVHZXABRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144617
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1ccc(C(C)C)cc1)C(=O)OCC	PC-id_49711710	456.558	NQDTXODNONLSDR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144618
Cc1nc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc1C(=O)Nc1ccccc1	EMOLS-id_328220790,MCULE-5642508034	456.559	RQDVJJVKAKFLQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144619
CCOC(=O)c1c(NC(=O)CSc2nnc(/N=C(O)/OCC)s2)sc2c1CCC2	PC-id_40127074,MCULE-6061056224,CoCoCo_4575948,ZINC22_32891722,EMOLS-id_24083684	456.559	ICZZJBSPLAFDGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144620
NC(=O)c1c(NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)sc2c1CCC2	PC-id_25973701,ZINC22_14169144,CoCoCo_4184542	456.559	GTGILJHRNRYTGC-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-144621
NC(=O)c1c(NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)sc2c1CCC2	ZINC22_14169146,CoCoCo_4184541,PC-id_25973702	456.559	GTGILJHRNRYTGC-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144622
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnc(o1)CC1CCS(=O)(=O)C1	MCULE-9852621294,EMOLS-id_13498943,PC-id_17566055	456.559	GTGILJHRNRYTGC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144623
c1(NC(=O)COc2cccnc2NC(=O)NCCN(CC)CC)sc2c(CCC2)c1C#N	MCULE-4241917916,EMOLS-id_321875577	456.561	VWFCPZLKSKAZBK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144624
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CSC=N1)C	SCHEMBL12892316,PC-id_70794396	456.561	JFYJKDDILCPRRP-ZYMOGRSISA-N	00000011100000110001000010000000000000000000000000000000	25-01-144625
S1CC(N=C1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)OC(CN(C)C)c1ccccc1)(C)C	PC-id_77922556	456.561	JFYJKDDILCPRRP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-144626
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3c(s2)CCC3)c1	ZINC22_9492450,PC-id_4883010,MCULE-2230836629,EMOLS-id_3362057,CoCoCo_3249166	456.578	DJWRECFBUUARJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144627
COC(=O)c1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCC2	PC-id_27003135,GD-id_ZINC16193226	456.578	TXKPULFZXNTADV-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-144628
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCC1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_27002995	456.578	QKGFZHVRQGCOQN-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-144629
CCOC(=O)c1c2c(CCC2)sc1NC(=O)CSc1n(CC)c(c2ccccc2)nn1	ASN-03932068,MCULE-1601670648,PC-id_3180983,CoCoCo_2844240,ZINC22_6878308,EMOLS-id_5035001	456.581	FFGSEKUQFGCJJE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144630
CCOC(=O)c1c(NC(=O)CSc2nnc(c3cccc(C)c3)n2C)sc2c1CCC2	EMOLS-id_43767994,PC-id_2099667,MCULE-9801874610,ZINC22_2636928,CoCoCo_3053752	456.581	YJKLOBKKGJRGKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144631
N#Cc1c(NC(=O)CN2CCN(CC2)S(=O)(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_3574797	456.581	ONFDAOLBEXOQMZ-ZROIWOOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144632
N#Cc1c(NC(=O)CN2CCN(CC2)S(=O)(=O)C=Cc2ccccc2)sc2c1CCC2	EMOLS-id_300969960,MCULE-2078747527,PC-id_72034300	456.581	ONFDAOLBEXOQMZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144633
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)sc2c1CCC2	PC-id_16318817,CoCoCo_3574796,ZINC22_13115999	456.581	ONFDAOLBEXOQMZ-NTEUORMPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144634
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c2ccccc2)c(nn1)C)C(=O)OCC	PC-id_17047147	456.581	SCCGOFOARCHCGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144635
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2cc(ccc2)C)c(nn1)C)C(=O)OCC	PC-id_16514151	456.581	FNKYIBBPEYBSKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144636
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2ccc(cc2)C)c(nn1)C)C(=O)OCC	PC-id_16538054	456.581	YMUDHSMRGGUJLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144637
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(cccc2)C)c(nn1)C)C(=O)OCC	PC-id_41425334	456.581	QVJDBHAPMBDFTR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144638
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC)C(=O)OC	PC-id_17301505	456.581	OTBKBNISLXGMDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144639
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC)C(=O)OC	PC-id_19730019	456.581	BQWCLMIVQQEOTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144640
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC)C(=O)OC	PC-id_19730200	456.581	MYPYXFXSBGJXBC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144641
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)C)C(=O)OCC	PC-id_16518588	456.581	OWVQZFMURIGSGS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144642
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)C)C(=O)OCC	PC-id_19729779	456.581	QIZYOEFYTDSHFN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144643
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC)C(=O)OC	PC-id_16513767	456.581	FKSCEKPHLXCELN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144644
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)C)C(=O)OCC	PC-id_20123543	456.581	DPGLPLQOTBRHKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144645
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)C)C(=O)OC	PC-id_17302991	456.581	XSXMRGNWMBEWKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144646
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC)c1ccccc1)C(=O)OCC	PC-id_17137265	456.581	YJFFLIKVFBCBMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144647
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(CCCC)cc1)C(=O)N	PC-id_45706500	456.584	JNBJWYJKTWMMHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144648
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333866,MCULE-7374490192	456.598	PLXMBBKKSGIPOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144649
c1(NC(=O)CCCOc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335913,MCULE-3623731314	456.598	QWGRFDVPVJNZBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144650
c1(NC(=O)C(C)Oc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333609,MCULE-2348630926	456.598	NHVYJZSBHRKRSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144651
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335401,MCULE-9640365494	456.598	RRVZHQLKYFVOKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144652
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331631044,MCULE-4198037304	456.601	DAYFUGZHMDLFSW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144653
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331919638,MCULE-3314765066	456.601	ZNZGKBJEEWNHTN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144654
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCC)sc2CCCc2c1C#N	EMOLS-id_331919642,MCULE-4197630356	456.601	LTZPVUAVLNKEGH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144655
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CC)sc2CCCc2c1C#N	MCULE-1240580761,EMOLS-id_331925014	456.601	QCZXGHNZZVEMGS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144656
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCC)sc2CCCc2c1C#N	MCULE-2577769943,EMOLS-id_331922195	456.601	CBWKGTHRCZCOMU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144657
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CC)sc2CCCc2c1C#N	MCULE-2792045426,EMOLS-id_331924247	456.601	QOWDRDAHIZUNLE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144658
COC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408618383	456.963	KBXKVKSKEWCZDP-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144696
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCCC)sc2CCCc2c1C#N	MCULE-3972279427,EMOLS-id_331935248	456.601	KAPBVFONNRPFIJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144659
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)S(=O)(=O)N1CCCC1	PC-id_92109822	456.601	YDQWTZBVBOXYGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144660
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1ccc(OCC)cc1)C)C(=O)N	PC-id_55470562	456.601	AXRLQQMKAWRVBU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144661
S1Cc2c(NC(=O)CCC3CCCCC3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053521	456.601	DWYKPZXGJVYUTL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144662
N#Cc1c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2c1CCC2	CoCoCo_3564782,EMOLS-id_3228998,CoCoCo_3564783,MCULE-4298335381,ZINC22_96682212,PC-id_2120591	456.602	ZYOMBJPQJFOYTL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144663
Cc1cc(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)nc(C(C)C)n1	CoCoCo_4233070,PC-id_41253200,CoCoCo_4233068,ZINC22_36382481	456.604	RAARUZJSZFLFSN-OAHLLOKOSA-N	00000010100010100001100010000000000000000000000000000000	25-01-144664
Cc1cc(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)nc(C(C)C)n1	PC-id_41253194,CoCoCo_4233071,CoCoCo_4233069,ZINC22_36382480	456.604	RAARUZJSZFLFSN-HNNXBMFYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-144665
Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-9889886874,PC-id_16359437,EMOLS-id_43982880	456.604	RAARUZJSZFLFSN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-144666
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NCCc1sccc1)C#N	PC-id_56179405	456.624	LJYADUXQADIMAL-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-144667
S1c2n(cc(n2)C[NH2+]C2CCN(CC2)c2ccc(CC(=O)N3CCC(O)CC3)cc2)CC1	PC-id_42431732	456.624	CLCKRQOFBHDIBI-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-144668
CCCC(/C(=C(/c1c(C)sc2c1CCC2)c1ccc(cc1)C(F)(F)C)/C(=C/CC)/C)C=O	PC-id_144088372	456.631	ZGNNVYHNMTULIM-ATODHLJLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144669
s1c(NC(=O)[C@@H]([NH+]2CCC(CC2)C[NH+](Cc2ccccc2)C)C)c(c2c1CCC2)C(=O)N	PC-id_52881763	456.644	LLEYDCSGTNSMHL-KRWDZBQOSA-P	00000010100010110000000010000000000000000000000000000000	25-01-144670
s1c(NC(=O)[C@H]([NH+]2CCC(CC2)C[NH+](Cc2ccccc2)C)C)c(c2c1CCC2)C(=O)N	PC-id_52881765	456.644	LLEYDCSGTNSMHL-QGZVFWFLSA-P	00000010100010110000000010000000000000000000000000000000	25-01-144671
s1c(NC(=O)C([NH+]2CCC(CC2)C[NH+](Cc2ccccc2)C)C)c(c2c1CCC2)C(=O)N	PC-id_75978661	456.644	LLEYDCSGTNSMHL-UHFFFAOYSA-P	00000010100010110000000010000000000000000000000000000000	25-01-144672
CCCCN(c1ccc(s1)/C=c/1c2nnc(n2nc1C(C)(C)C)C(CN(C)C)(C)C)CC	PC-id_58856803,SCHEMBL13422308	456.69	LUSUOSRINACNSY-MNDPQUGUSA-N	00000000100100000001000010000000000000000000000000000000	25-01-144673
s1c(C=c2c(nn3c(nnc23)C(CN(C)C)(C)C)C(C)(C)C)ccc1N(CCCC)CC	PC-id_72445305	456.69	LUSUOSRINACNSY-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-144674
Fc1cccc(Cl)c1/C=c/1sc2nc(COc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324848884	456.705	XDFLBMCDXBLLKY-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-144675
n12nc(nc1sc(=Cc1c(cccc1F)Cl)c2=O)COc1ccc(cc1Cl)Cl	MCULE-5147163315	456.705	XDFLBMCDXBLLKY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144676
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CCOc1ccccc1)C(=O)OCC	PC-id_55362223	457.586	PJSKSLYUMZCSER-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144881
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)CCC#N)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134303021,SCHEMBL19920741	456.897	SEARHUUIIMCEAX-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-144677
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883983,MCULE-7952163304	456.902	YKAXYHOESKYFDV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-144678
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	PC-id_117588512,ZINC22_256055330	456.902	BYLCDIQDZPSVDN-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144679
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccc(cc1)Cl)c2=O	MCULE-8030307087	456.902	BYLCDIQDZPSVDN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144680
Clc1c(cc(S(=O)(=O)C)cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_2502645	456.92	RNYCCTNRUGBPAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144681
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cc(ccc1)Cl	PC-id_134302973,SCHEMBL19920691	456.925	RNVRAFHIVMEMKV-WJDWOHSUSA-N	00100010100000110000000010000000000000000000000000000000	25-01-144682
Clc1cccc(c1)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)C1CNNN1	PC-id_146047452	456.925	MAMHJPYWDUUQSD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144683
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)Cl)C(=O)Nc1ccc(cc1OC)OC	ZINC22_2994350,MCULE-2891668048,PC-id_2291742,EMOLS-id_2177562,CoCoCo_845134	456.942	MLNJDCZWBFKIOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144684
c1(c2CCCc2sc1NC(=O)COc1ccc(cc1)Cl)C(=O)Nc1ccc(cc1)OC	PC-id_1267968,EMOLS-id_1116266,ZINC22_1080995,CK1408136,MCULE-7815394661,CoCoCo_1731027	456.942	GUOKTLXBBZHHNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144685
Clc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc1	PC-id_44053543	456.945	MBTUBIIAAVAANF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144686
Clc1ccc(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc1	PC-id_44053349	456.945	GQYKTVCZFQYDKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144687
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)c(OC)cc1	PC-id_44053415	456.945	SVMRVBXHOZPVOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144688
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)ccc1	PC-id_44053542	456.945	SKPCIWFUCPXRLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144689
Clc1ccc(S(=O)(=O)Nc2c(C(=Nc3sc4CCCc4c3C#N)[O-])cccc2)cc1	PC-id_2375474	456.945	DDVGFEMUPREBMC-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-144690
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cccc1	PC-id_44053541	456.945	JDUYKQUDBIHBJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144691
N#Cc1c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	GD-id_ZINC06146944	456.945	ZZXRSVJTZURQRY-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-144692
c1(NC(=O)CN(c2ccc(cc2)Cl)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_44928774,EMOLS-id_31292490,MCULE-4432304675,PC-id_51042887	456.963	HQJIMJYOEOGWID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144693
CCOC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408627367	456.963	ZQSITIQNCNXTPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144694
Clc1ccc(COc2ccc(NC(=O)c3cc4CCCc4n3Cc3ccccc3)cc2)cc1	MCULE-1937961368,EMOLS-id_328220536	456.963	RBXJZVULFZHDOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144695
COC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408618386	456.963	KBXKVKSKEWCZDP-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-144697
COC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408605825	456.963	KDAZQJCDJUXZFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144698
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616121	456.963	WDAWWJBMTNMHFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144699
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408615762	456.963	RVECIZFMFCHAHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144700
COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408622821	456.963	VYOJYVWIEMRRTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144701
Clc1cc(N2CCN(CC2)CCCN2C(=O)c3c(c(n(c3C)CCCC)C)C2=O)ccc1	PC-id_11753849	457.008	WHPCVXJLOLJGSX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144702
BrC(c1sc2c(CCC2)c1)c1cc(Br)sc1Br	PC-id_63442851	457.042	JMWNYGDAAHVINN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-144703
BrC(c1sc2c(CCC2)c1)c1sc(Br)c(Br)c1	PC-id_80534446	457.042	ZXZTXVTWIFZTBW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-144704
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278803	457.083	HXUPJWCLFXPLTJ-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-144705
Brc1cc(Br)c(=O)n(CC(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_327721279,MCULE-1402218198	457.14	CDLQWWXORUNROQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144706
C1COCC1N2C=C(C=N2)S(=O)(=O)N3C=C4CN(CC4=N3)C(=O)[C@H](CO)C5=CC=CC=C5	PC-id_164872208	457.142	WGCIHOUUHGLFGB-WHCXFUJUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144707
CC(C)(C)OC(=O)CCCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)Cl)Cl	PC-id_165036202	457.142	AMDCKTRSPCXSEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144708
CC1=C(C=CC(=C1)NC(=O)C2=C(C(=C3N2CCC3)C(=O)C(=O)NC4(CC(C4)(F)F)C#C)C)F	PC-id_153043623	457.161	VGEDYKCWSSRRHF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-144709
CC1=CC(=NC=N1)N2CCC(C2)C(C)NC3=NN4CCC(C4=N3)OC5=CC(=CC(=C5)Cl)F	PC-id_154938054	457.179	XWIQTPQNAIKPLR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144710
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CN[NH2+]N1)C(=O)Nc1cc(c(cc1)F)F	PC-id_163785226	457.179	MRYUVSDIQDABGC-UHFFFAOYSA-O	00100011100000110001100010000000000000000000000000000000	25-01-144711
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=NN)C=[NH2+])C(=O)Nc1cc(c(cc1)F)F	PC-id_164175563	457.179	JPXWNUCTVCNUNI-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-144712
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=C[NH2+]NN4)C(=O)NC5=C(C=C(C=C5)F)F	PC-id_152846480	457.179	TUDKWNZOWCTOEX-UHFFFAOYSA-O	00100011100000110001100010000000000000000000000000000000	25-01-144713
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=CN[NH2+]N4)C(=O)NC5=CC(=CC(=C5)F)F	PC-id_146725240	457.179	RGFWTCVENNVACQ-UHFFFAOYSA-O	00100011100000110001100010000000000000000000000000000000	25-01-144714
CC1=CC(=CC(=C1OCCCNC(=O)CO)C)CCC(=O)C2=C3CCC(C3=C(S2)C)C=O	PC-id_147840492	457.192	HSWIKHNZXTUNQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144715
CCC1=CC(=C(C=C1C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)CC5=NC=CN=C5)N)F)O	PC-id_154689176	457.203	XJTPWHHQWYYYST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144716
CCCC[Sn](C1(Cn2c(S1)cnc2)C(=O)C)(CCCC)CCCC	SCHEMBL6772631,PC-id_22631700	457.252	BIRDANUZQDNQDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144717
Brc1cc(C(=O)Nn2ncc3c2C(N(C3)C(=O)c2ccc(F)cc2)(C)C)ccc1	SCHEMBL2923935,PC-id_68442612	457.296	DZQFPEPRDYZEAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144718
Brc1c(C(=O)Nn2ncc3c2C(N(C3)C(=O)c2ccc(F)cc2)(C)C)cccc1	SCHEMBL2923937,PC-id_68442613	457.296	FFYSXMZOKUGLET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144719
Fc1ccc(cc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)Br	PC-id_139982969	457.296	WQUNJVVYJYYPBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144720
c1(N(=O)=O)nn(c(C)c1Br)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1293939,BAS-00924127,CoCoCo_153845,MCULE-8628886847,STOCK2S-28295,SPECS-id_AK-968/12098073,ZINC22_845115,PC-id_1111098	457.299	OCGVZNWLERVGGI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144721
c1(NC(=O)c2c(O)cc(=O)n(c3ccc(cc3)Br)n2)sc2c(CCC2)c1C#N	EMOLS-id_182625250,MCULE-8709711582,PC-id_108803954	457.301	BKBIIPRAHNNUFY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144722
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1)c2=O	MCULE-1503780049	457.301	XCHYINZPCNGEMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144723
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1cccc(Br)c1)c2=O	MCULE-8236397652	457.301	PYSQOYXJFGAFOP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144724
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)Br)c2=O	MCULE-4846198631	457.301	UEKXKJLSUQLKAO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144725
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)Br)c2=O	MCULE-6671691900	457.301	OWVVVXFWWXMSPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144726
O=C(COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O)Nc1ccccc1	PC-id_117588386,ZINC22_256055869	457.301	XCHYINZPCNGEMN-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144727
O=C(COc1ccc(/C=c/2sc3ncnn3c2=O)cc1)Nc1ccc(Br)cc1	ZINC22_256055792,PC-id_117588524	457.301	UEKXKJLSUQLKAO-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144728
O=C(COc1ccc(/C=c/2sc3ncnn3c2=O)cc1)Nc1cccc(Br)c1	ZINC22_256055693,PC-id_117588530	457.301	PYSQOYXJFGAFOP-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144729
O=C(COc1cccc(/C=c/2sc3ncnn3c2=O)c1)Nc1ccc(Br)cc1	PC-id_117588445,ZINC22_256055664	457.301	OWVVVXFWWXMSPC-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144730
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC	PC-id_3668142	457.311	MQSWWPNWDFLJLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144731
Clc1c(N)c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(Cl)c1	PC-id_3985581	457.328	DTJWWDPDSOBIHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144732
c1(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4838025704,EMOLS-id_334387743	457.371	AEJCFKYUBZKGTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144733
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2923140230,EMOLS-id_334386457	457.371	ZQUDFUNUAVVUMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144734
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388760,MCULE-1239700606	457.371	DRTXYUGNBGYYHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144735
Clc1cc(Cn2c3C(C(c4ccccc4)(C)C(=O)O)CCc3nc2C(C)C)ccc1Cl	SCHEMBL2507254,PC-id_67433035	457.392	WBTUMXDKWDBSFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144736
Clc1cc(Cn2c3C(CCc3nc2C(C)C)C(Cc2ccccc2)C(=O)O)ccc1Cl	SCHEMBL2507256,PC-id_67433036	457.392	JMMRNHCFEHLMQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144737
Clc1cc(Cn2c3C(CCc3nc2C(C)C)CC(=O)OCc2ccccc2)ccc1Cl	SCHEMBL12199297,PC-id_58460184	457.392	JNIHEEJBZSSLFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144738
CNC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	BindingDB_PC-id_118483464,PC-id_118483464,SCHEMBL17222986,BindingDB-id_435298	457.397	IYOICLOOPHWRQQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144739
Brc1cc(c(nc1)CCCCN(C1=NS(=O)(=O)c2c1csc2)CCN)C	PC-id_57038511	457.408	WITJRMQBXPQEAE-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-144740
Brc1cc(c(nc1)CCCCNCCNC1=NS(=O)(=O)c2c1csc2)C	PC-id_14154310	457.408	KLLZDCRYQFEJQR-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-144741
Brc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_20176453	457.408	MEXBUBRAYRWCAZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144742
FCOc1ccc(cc1)NC(=O)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_122501651,SCHEMBL18031641	457.412	GEWFMRNNOKCPPG-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144743
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)sc2c1CCC2	ZINC22_12566901,CoCoCo_2945890,EMOLS-id_43729530,MCULE-5376124493,PC-id_4355082	457.42	GWZSCRSEPXHWLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144744
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F)C1CCOCC1	PC-id_24772542,SCHEMBL2162535	457.438	NHZKHMMLDRUEPG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144745
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nc(ncc1)C(F)(F)F)C	SCHEMBL1370536,PC-id_89796594	457.452	OLUNGVPQMWVIAU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144746
CC1(C)N(Cc2c(Nc3ccnc(n3)C(F)(F)F)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1	PC-id_59474176,BindingDB-id_218920,SCHEMBL12143776,BindingDB_PC-id_59474176	457.452	OLUNGVPQMWVIAU-AFYYWNPRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144747
CC1(C)N(Cc2c(Nc3nccc(n3)C(F)(F)F)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1	SCHEMBL12559868,PC-id_68317298,BindingDB_PC-id_68317298,BindingDB-id_218918	457.452	WALQJTWGHLZIMZ-AFYYWNPRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144748
FC(F)(F)c1nc(Nc2n[nH]c3C(N(C(=O)NC4C(C4)c4ccccc4)Cc23)(C)C)ncc1	PC-id_67007820,SCHEMBL1367927	457.452	WALQJTWGHLZIMZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144749
FC(F)(F)c1nc(Nc2n[nH]c3C(N(C(=O)N[C@@H]4C(C4)c4ccccc4)Cc23)(C)C)ncc1	PC-id_59474147,SCHEMBL12143770	457.452	WALQJTWGHLZIMZ-WUJWULDRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144750
FC(F)(F)c1nc(Nc2n[nH]c3C(N(C(=O)N[C@H]4[C@@H](C4)c4ccccc4)Cc23)(C)C)ccn1	SCHEMBL1370538,PC-id_67008760	457.452	OLUNGVPQMWVIAU-DZGCQCFKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144751
FC(F)(F)c1nc(Nc2n[nH]c3C(N(C(=O)N[C@H]4[C@@H](C4)c4ccccc4)Cc23)(C)C)ncc1	SCHEMBL1367930,PC-id_67007821	457.452	WALQJTWGHLZIMZ-DZGCQCFKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144752
FC(F)(F)c1nc(Nc2n[nH]c3C(N(C(=O)N[C@@H]4[C@H](C4)c4ccccc4)Cc23)(C)C)ncc1	SCHEMBL15247483,PC-id_11597733	457.452	WALQJTWGHLZIMZ-HIFRSBDPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144753
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1ccnc(n1)C(F)(F)F)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247484	457.452	OLUNGVPQMWVIAU-HIFRSBDPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144754
c1(NC(=O)c2noc(C)c2COc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OC	CoCoCo_6596213,PC-id_17026755,ZINC22_13641152,EMOLS-id_8870841,MCULE-3982890436	457.456	UZMLHAFXRDEKGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144755
c1(NC(=O)c2ccc(N(=O)=O)o2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	ZINC22_23139561,CoCoCo_5277783,EMOLS-id_30132027,PC-id_30862785,MCULE-2091830062	457.46	SRKNLODDPVOSIU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-144756
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_31633061,PC-id_38853963	457.46	IGCHZYAYAKRKPI-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144757
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_31633064,PC-id_38853966	457.46	IGCHZYAYAKRKPI-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144758
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)NC(C1=O)(C)c1ccc(cc1)[N+](=O)[O-]	PC-id_45723521,EMOLS-id_31310230,MCULE-8497716144	457.46	IGCHZYAYAKRKPI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144759
OC[C@H]1O[C@@H](O[C@H]([C@](C(=O)OCc2ccn3c2C(=O)CC3)(C(C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	PC-id_102080679,UNPD126012	457.472	MHEDGRKRCACOGP-KPEPVNHWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-144760
O=C(OCc1ccn2c1C(=O)CC2)C(O)(C(OC1OC(CO)C(O)C(O)C1O)C)C(C)C	CNP0220206	457.472	MHEDGRKRCACOGP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-144761
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-4199003930	457.476	LNPDEYAMJZJPLL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-144762
n12ncnc1sc(=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O	MCULE-2744295117	457.483	FUNMQLXCEVDVRM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144763
n12ncnc1sc(=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O	MCULE-2932092324	457.483	UZKUIUZYDTWRAN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144764
n12ncnc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O	MCULE-4103313103	457.483	RUBPIJUAPZBXCJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144765
NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_47154582	457.483	RUBPIJUAPZBXCJ-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144766
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2)cc1	ZINC22_256055406,PC-id_117588552	457.483	FUNMQLXCEVDVRM-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144767
NS(=O)(=O)c1ccc(NC(=O)COc2cccc(/C=c/3sc4ncnn4c3=O)c2)cc1	ZINC22_256055805,PC-id_117588449	457.483	UZKUIUZYDTWRAN-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144768
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)C#N	SCHEMBL20252977,PC-id_134599076	457.485	CJYCYCSTCLEFPW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144769
FC(F)(F)c1ccc(Oc2ccc(C(NC(=O)c3n(nc4C(CCc34)C)C)(C)C)cc2)cc1	PC-id_76313073	457.488	CFEKDCAQBZQMHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144770
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_35774986	457.496	DXBWKZVJDFQREK-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144771
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_74645503	457.496	DXBWKZVJDFQREK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144772
c1(oc(C)cc(=O)c1O)C(CC(=O)NCc1cn2c(SCC2)n1)c1ccc(c(OC)c1)O	CNP0336876,EMOLS-id_104673324,STOCK1N-94026,MCULE-4120016960	457.5	HDECAVCHGYBWSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144773
COc1cc([C@H](CC(=O)NCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)ccc1O	ZINC22_524730381	457.5	HDECAVCHGYBWSC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144774
COc1cc([C@@H](CC(=O)NCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)ccc1O	ZINC22_524730382	457.5	HDECAVCHGYBWSC-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144775
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2C[C@@H](N(CC2)C(=O)[O-])C(C)(C)C)cc1)C	PC-id_69635267,SCHEMBL6010730	457.5	OMAYFBHSMCPJHH-BISSLNBESA-M	00000010100010110001100010000000000000000000000000000000	25-01-144776
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2CC(N(CC2)C(=O)[O-])C(C)(C)C)cc1)C	SCHEMBL6010725,PC-id_69635264	457.5	OMAYFBHSMCPJHH-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-144777
O=C(OCC(=O)Nc1cccc(c1)C(=O)C)CCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_2093817,CoCoCo_3090963	457.5	HCXKYZBXTWIGHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144778
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(OC)cc1)C)C(=O)OC	PC-id_45607244	457.5	WRFHUFGDNOFIOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144779
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(OC)cc1)C)C(=O)OC	PC-id_51911767	457.5	WRFHUFGDNOFIOL-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144780
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(OC)cc1)C)C(=O)OC	PC-id_51911768	457.5	WRFHUFGDNOFIOL-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144781
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(N2CCCC2=O)cc1)C(=O)N	PC-id_27145513	457.5	NGGIDDOMYUXWKX-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-144782
c1(NC(=O)COc2cccnc2NC(=O)N(CC)CCC(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321858490,MCULE-8637739302	457.503	WKBDWEFSJSSUAM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144783
c1(NC(=O)COc2cccnc2NC(=O)NC(CCC)C(=O)O)sc2c(CCC2)c1C#N	MCULE-4330063041,EMOLS-id_321874042	457.503	CEMXLLBVXFLFPD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144784
c1(NC(=O)COc2cccnc2NC(=O)NC(C(C)C)C(=O)O)sc2c(CCC2)c1C#N	MCULE-4382398322,EMOLS-id_321875321	457.503	FMALOOIIFBCFNZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144785
S1Cc2c(nn(c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCC2OCCC2)C1	PC-id_44053202	457.503	BEUFVTYRDJUKNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144786
C/C=C(/C(=O)OCc1ccn2c1[C@@H](C[C@@H]2OC(=O)C)C(=O)/C(=C/C)/C)COC(=O)C=C(C)C	UNPD148307	457.516	KCFXJUMCIGNVAW-LSKSLASESA-N	00000010100000000000000010000000000000000000000000000000	25-01-144787
C/C=C(C(=O)OCc1ccn2c1[C@@H](C[C@@H]2OC(=O)C)C(=O)/C(=C/C)/C)/COC(=O)C=C(C)C	UNPD193828	457.516	KCFXJUMCIGNVAW-OPSIPYGOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144788
C/C=C(/C(=O)OCc1ccn2c1[C@@H](C[C@@H]2OC(=O)C)C(=O)/C(=C/C)/C)COC(=O)/C(=C/C)/C	UNPD41327	457.516	CURZPSVPHCAUTE-IFWBSMHISA-N	00000010100000000000000010000000000000000000000000000000	25-01-144789
O=C(OCC(=CC)C(=O)OCc1ccn2c1C(C(=O)C(=CC)C)CC2OC(=O)C)C(=CC)C	CNP0114989	457.516	CURZPSVPHCAUTE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144790
O=C(OCC(=CC)C(=O)OCc1ccn2c1C(C(=O)C(=CC)C)CC2OC(=O)C)C=C(C)C	CNP0272794	457.516	KCFXJUMCIGNVAW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144791
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N(C)C	SCHEMBL4285658,PC-id_24751182	457.521	MNRJNTDOMWVDOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144792
c1(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)N(=O)=O)sc2c(CCC2)c1C#N	ZINC22_12860729,EMOLS-id_1831203,CoCoCo_569079,MCULE-4157403701,PC-id_2980454	457.526	SHUHLPITWKSIBL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144793
N#Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_14269607,PC-id_17103464	457.526	HUBJFQHNRIALFL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144794
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)OCCCC)C(=O)OC	PC-id_73552045,MCULE-2589220672	457.539	DTFPMHSJJJBPNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144795
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccccc1OCCCC)C(=O)OC	PC-id_73568433,MCULE-4235150306	457.539	ZROACGDVPULFFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144796
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1ccc(OCCCC)cc1)C(=O)OC	PC-id_19175267	457.539	DTFPMHSJJJBPNC-MDWZMJQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144797
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1c(OCCCC)cccc1)C(=O)OC	PC-id_19202143	457.539	ZROACGDVPULFFC-JLHYYAGUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144798
c1(c2CCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccc(cc1)C(=O)OCC	EMOLS-id_2186674,MCULE-1853354633,ZINC22_16193278,PC-id_1328915,CoCoCo_869024	457.543	ZTUFKEZMDMRZPV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144799
CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_41576283,MCULE-2641712246,ZINC22_10609609,CoCoCo_2990715,EMOLS-id_43747539	457.543	NZZNHGBYAANPRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144800
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)CCc1ccccc1	SCHEMBL14054849,PC-id_89236442	457.543	WWBXFVYMBBKPGB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144801
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)c1n(ccc1)C	PC-id_41732934	457.543	JIIZFODGFYAVIP-UHFFFAOYSA-N	00000010110010000000000010000000000000000000000000000000	25-01-144802
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1cc(ccc1)C)C(C)C)C(=O)N	PC-id_51581230	457.543	BGGULLBPNHBABT-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144803
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(cc1)C)C(C)C)C(=O)N	PC-id_51589587	457.543	OCTQTOHZAWXVSX-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144804
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(cc1)C)C(C)C)C(=O)N	PC-id_51664628	457.543	OCTQTOHZAWXVSX-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144805
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1cc(ccc1)C)C(C)C)C(=O)N	PC-id_51921178	457.543	BGGULLBPNHBABT-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144806
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccc(cc1)C)C(C)C)C(=O)N	PC-id_3495104	457.543	OCTQTOHZAWXVSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144807
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1cc(ccc1)C)C(C)C)C(=O)N	PC-id_45621645	457.543	BGGULLBPNHBABT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144808
s1c2c(nc1NC(=O)c1ccc(OC)cc1)C(CC2)C(=O)N1CC(CCC1)C(=O)OCC	PC-id_16947818	457.543	WQXYDARGEQFTDF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144809
s1c2c(nc1NC(=O)c1ccc(OC)cc1)C(CC2)C(=O)N1CCC(CC1)C(=O)OCC	PC-id_16947819	457.543	QEYIGXJRWXBKRB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144810
c1(NC(=O)c2cc(on2)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2966618300,ZINC22_11916699,EMOLS-id_9874122,PC-id_16455573,CoCoCo_2254448,TIMTEC399837	457.544	QFUJTDVRMIIJIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144811
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C#N	MCULE-8596565853	457.544	NRCWHOBVFYUFTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144812
Cc1ccc(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)cc1	EMOLS-id_323219064	457.544	NRCWHOBVFYUFTD-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144813
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccccc1F	MCULE-2568554810,CoCoCo_3095613,ZINC22_3361585,PC-id_2479148,EMOLS-id_43779348	457.544	UMCCXMXAWIIUMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144814
FCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	BindingDB_PC-id_59508179,SCHEMBL596323,PC-id_59508179	457.544	CQEVDYWSPUUMTG-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-144815
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNS(=O)(=O)c1sccc1)C(=O)N	PC-id_29929311	457.544	DFOSIDPQIVQOLR-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-144816
S1Cc2c(nn(c2NC(=O)CSc2ccncc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053652	457.544	LOMWMZPULUSOAJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-144817
c1(NC(=O)COc2cccnc2NC(=O)NCCCOC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321872762,MCULE-4089809961	457.546	HRFZQTGHIPABEQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144818
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-5374649717,EMOLS-id_331927580	457.546	FFKVRLHLOWMYSX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144819
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(cc3)C)n(nc2C1)CC(=O)NCCOC	PC-id_44053037	457.546	PVGQWGSXNFTXDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144820
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(OC)cc3)n(nc2C1)CC(=O)NCCC	PC-id_44052928	457.546	VYCPLOXMKBOOMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144821
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(OC)ccc3)n(nc2C1)CC(=O)NCCC	PC-id_44052927	457.546	XBOKOGJINYDUBL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144822
CC#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cn(n2)C(C)C)CC(=O)O	SCHEMBL16861226,PC-id_118195992	457.564	HDPRAITYWQTHPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144823
CC#CC(c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cnn2C(C)C)CC(=O)O	SCHEMBL16861249,PC-id_118196013	457.564	IYMNLWWPSRLZCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144824
CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cnn2C(C)C)CC(=O)O	PC-id_122511133,SCHEMBL18042309	457.564	IYMNLWWPSRLZCY-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144825
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CCC1)Cc1ccc(OC)cc1)C(=O)OC	PC-id_30659379	457.586	CAWIGWOEWXDTQQ-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-144882
CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1)cn(n2)C(C)C)CC(=O)O	PC-id_122511143,SCHEMBL18042318	457.564	HDPRAITYWQTHPH-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144826
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CC=C)CC=C)sc2CCCc2c1C#N	MCULE-1399267387,EMOLS-id_333772371	457.566	YWZJEAZCNWSXSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144827
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc4c(s3)CCC4)cc2)cc1	EMOLS-id_11964848,MCULE-1120451809,CoCoCo_4164090,ZINC22_8744903,PC-id_17420735	457.566	KRATVUSIYUNJSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144828
C=CC(=O)NC1C2C1CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	SCHEMBL14057469,PC-id_89238682	457.566	CZUSCEOJDDRXAU-UHFFFAOYSA-N	00100010100000110000010010000000000000000000000000000000	25-01-144829
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1sccc1C#N	PC-id_45663331	457.566	NLRDRGVXMIMYKG-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-144830
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1ccc(cc1)C(=O)OC	PC-id_51628859	457.566	LYKSIWJYKYSLSN-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-144831
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(c(cc1)C)C)C(=O)OCC	PC-id_5219805	457.566	YCTVJTIZCMBAHC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144832
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)C)c(OC)cc1	PC-id_33039637	457.566	LFTOJEUZFREFDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144833
s1c(NC(=O)[C@@H]([NH+]2CCC(CC2)C(=O)Nc2c(O)cccc2)C)c(c2c1CCC2)C(=O)N	PC-id_41138360	457.566	OMWRDQHIDDQCJF-ZDUSSCGKSA-O	00000010100010110000000010000000000000000000000000000000	25-01-144834
s1c(NC(=O)[C@H]([NH+]2CCC(CC2)C(=O)Nc2c(O)cccc2)C)c(c2c1CCC2)C(=O)N	PC-id_41138363	457.566	OMWRDQHIDDQCJF-CYBMUJFWSA-O	00000010100010110000000010000000000000000000000000000000	25-01-144835
s1c(NC(=O)C([NH+]2CCC(CC2)C(=O)Nc2c(O)cccc2)C)c(c2c1CCC2)C(=O)N	PC-id_74748827	457.566	OMWRDQHIDDQCJF-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-144836
CCC(c1ccccc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1	PC-id_89801236,SCHEMBL15252924	457.567	OGLUXMFMBCQSHE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144837
CCC(C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1	PC-id_58015699,SCHEMBL12879426	457.567	OGLUXMFMBCQSHE-VDZZXDNDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-144838
O=C(N(C(C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2)Cc1ccccc1)C)c1ccccn1	ChEMBL-DNDi_CHEMBL25179257	457.567	XLMYHVNAAGLVSO-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-144839
c1(NC(=O)CSc2nnc(c3ccccc3)n2CCOC)sc2c(CCC2)c1C(=O)N	ZINC22_6905389,PC-id_3180975,EMOLS-id_6512289,ASN-03931998,MCULE-9234897467	457.569	AMNNYRYFWCWIBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144840
C=CCn1c(nnc1c1ccoc1C)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-7410638603,PC-id_17392806,EMOLS-id_11896264	457.569	ACUNXLCTZXOZFY-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-144841
C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccoc1C	PC-id_25388228,ZINC22_12601007,CoCoCo_4174048	457.569	ACUNXLCTZXOZFY-LBPRGKRZSA-N	00000010101000000001100010000000000000000000000000000000	25-01-144842
C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccoc1C	ZINC22_12601005,PC-id_25388227,CoCoCo_4174047	457.569	ACUNXLCTZXOZFY-GFCCVEGCSA-N	00000010101000000001100010000000000000000000000000000000	25-01-144843
CCOC(=O)c1c(NC(=O)CSc2ccc(n3nc(C)cc3C)nn2)sc2c1CCC2	ZINC22_9514491,CoCoCo_4426057,MCULE-8723711012,PC-id_16362850,EMOLS-id_11809598	457.569	QIDJXDCQGKEBIX-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-144844
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1nnc(cc1)C	SCHEMBL19771906,PC-id_134170739	457.569	HTWGSZZPFDHZET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144845
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1ccncc1)C(=O)OC	PC-id_41167884	457.569	JYUHXNINYCXIAK-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144846
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1cccnc1)C(=O)OCC	PC-id_20126814	457.569	SQQMULQYUBQYDN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144847
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccncc1)C(=O)OCC	PC-id_17303602	457.569	LWQBMCMVFHENLV-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144848
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ncccc1)C(=O)OCC	PC-id_20127046	457.569	UYZADDRPQCPFRP-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-144849
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)COc1c(ccc(c1)C)C)C(=O)N	PC-id_2118233	457.569	QOIYTHDPLWPMLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144850
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(cc1)C)C(=O)OCC	PC-id_2694732	457.569	ODSCMLIECYZVFX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144851
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1cc(c(cc1)C)C)C(=O)OCC	PC-id_18874311	457.569	JNWLUUBFTBXFST-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144852
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(c(ccc1)C)C)C(=O)OCC	PC-id_29540155	457.569	GKHIZUALWYKATJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144853
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(cc(cc1)C)C)C(=O)OCC	PC-id_4810537	457.569	NOEUPFUQBHGSDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144854
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(CC)cc1)C(=O)OCC	PC-id_18874209	457.569	UPSHMHNZKCTWHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144855
CCCCC([C@@H](/C=C/[C@H]1[C@H](O)Cc2c1cc(o2)C(CS(=O)(=O)N)CCCC(=O)O)O)C	PC-id_70481253,SCHEMBL10962073	457.581	UKEBKFAZKAKBQT-DMCRGHJYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144856
S(=O)(=O)(N)CC(c1oc2c(C(C(O)C2)C=CC(O)C(CCCC)C)c1)CCCC(=O)O	PC-id_77975007	457.581	UKEBKFAZKAKBQT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-144857
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-7848184902,PC-id_2789766	457.582	YYHCSQGYQGVJLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144858
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-8086168604,PC-id_2788959	457.582	BAZQUXMJFOJRPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144859
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCC(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_3615590,MCULE-1604300554	457.582	LORZYNKUUPTMIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144860
c1(NC(=O)C=Cc2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_73574212,MCULE-9336675410	457.582	ZCVQUVMSCTTZRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144861
CCCCCCOc1ccc(cc1OC)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_1736303	457.582	YYHCSQGYQGVJLQ-OWBHPGMISA-N	00000010100000110000000010000000000000000000000000000000	25-01-144862
CCCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1OC	CHEMBL1574419,ZINC22_4289937,PC-id_5710959,EMOLS-id_26501530,CoCoCo_1736302	457.582	YYHCSQGYQGVJLQ-WYMLVPIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144863
CCCCCOc1ccc(cc1OC)/C=CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	CoCoCo_1699969,PC-id_92909162	457.582	BAZQUXMJFOJRPA-OWBHPGMISA-N	00000010100000110000000010000000000000000000000000000000	25-01-144864
CCCCCOc1ccc(cc1OC)/C=C/C(=O)Nc1sc2c(c1C(=O)OCC)CCC2	TIMTEC69192,EMOLS-id_26280419,CoCoCo_1699968,ZINC22_4289792,CHEMBL1569051,STOCK2S-62381,PC-id_5710728	457.582	BAZQUXMJFOJRPA-WYMLVPIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144865
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OCC)c(OCCCC)cc1)C(=O)OCC	PC-id_19236808	457.582	ZCVQUVMSCTTZRS-WYMLVPIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144866
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCC(C)C)cc1)C(=O)OCC	PC-id_1701631	457.582	LORZYNKUUPTMIY-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144867
c1(c2CCCc2sc1NC(=O)CN1CCCCC1C)C(=O)Nc1ccc(cc1OC)OC	EMOLS-id_2785162,TIMTEC413588,MCULE-6700889535,PC-id_3768612	457.586	QVBHAVBUWFYIAB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144868
c1(c2CCCc2sc1NC(=O)CN1CCCC(C)C1)C(=O)Nc1ccc(cc1OC)OC	EMOLS-id_2782379,MCULE-3504426479,PC-id_3565357	457.586	TXVAIBWXXBXKQR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144869
c1(c2CCCc2sc1NC(=O)CN1CCCC(C)C1)C(=O)Nc1c(OC)ccc(OC)c1	MCULE-4588534297,PC-id_2922261,EMOLS-id_1997950,ChEMBL-DNDi_CHEMBL7002226	457.586	QYWLBUKAIGSFGT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144870
COc1ccc(NC(=O)c2c(NC(=O)CN3CCCC[C@H]3C)sc3c2CCC3)c(OC)c1	CoCoCo_6723774,ZINC22_15946650,CoCoCo_6723772,PC-id_26875326	457.586	QVBHAVBUWFYIAB-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144871
COc1ccc(NC(=O)c2c(NC(=O)CN3CCCC[C@@H]3C)sc3c2CCC3)c(OC)c1	CoCoCo_6723775,ZINC22_15946648,CoCoCo_6723773,PC-id_26875324	457.586	QVBHAVBUWFYIAB-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144872
COc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@H](C)C3)sc3c2CCC3)c(OC)c1	CoCoCo_6047986,ZINC22_729065,PC-id_1050764,CoCoCo_6047984	457.586	TXVAIBWXXBXKQR-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144873
COc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@@H](C)C3)sc3c2CCC3)c(OC)c1	CoCoCo_6047987,PC-id_1050765,CoCoCo_6047985,ZINC22_12629320	457.586	TXVAIBWXXBXKQR-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144874
COc1ccc(OC)c(NC(=O)c2c(NC(=O)CN3CCC[C@H](C)C3)sc3c2CCC3)c1	CoCoCo_865251,PC-id_27002894,CoCoCo_865253,ZINC22_16192735	457.586	QYWLBUKAIGSFGT-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144875
COc1ccc(OC)c(NC(=O)c2c(NC(=O)CN3CCC[C@@H](C)C3)sc3c2CCC3)c1	CoCoCo_865252,CoCoCo_865254,ZINC22_16192733,PC-id_27002891	457.586	QYWLBUKAIGSFGT-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144876
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC1(CCCCC1)C#N	PC-id_41733108	457.586	ZZCGLCWBWYZAMS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-144877
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1c(OC)cccc1)C)C(=O)OCC	PC-id_10647517	457.586	NIXKAPMOIDWAEC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144878
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OCC)cccc1)C(=O)OCC	PC-id_22199547	457.586	IYQRNGXPDITBBI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-144879
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OCC	PC-id_22195016	457.586	XBGBTAIHNZDWKM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144880
COc1ccc(cc1)c1csc(CCNC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	EMOLS-id_328222581,MCULE-9698200483	457.587	NPYWXAAPZCPKHZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144883
COc1ccc(cc1)C(NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1nc(C)cs1	EMOLS-id_328213370,MCULE-7370685164	457.587	ZTBGXFWAMGNYDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144884
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCN(C)C)sc2CCCc2c1C#N	MCULE-2049188200,EMOLS-id_331927829	457.589	ZDGCPYFLPNABHD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144885
c1(NC(=O)CSc2scc(c3ccc(cc3OC)OC)n2)sc2c(CCC2)c1C#N	EMOLS-id_324889949,MCULE-8909014536	457.589	WRMMEWZFKGBPPO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144886
c1(NC(=O)CSc2scc(c3ccc(OC)c(OC)c3)n2)sc2c(CCC2)c1C#N	MCULE-8816677071,EMOLS-id_324866108	457.589	PJFVPOIANUABSH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144887
c1(NC(=O)CSc2scc(c3cc(OC)ccc3OC)n2)sc2c(CCC2)c1C#N	MCULE-7295843767,EMOLS-id_324882246	457.589	DNTUDFVUVHAKDT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144888
s1c2CCCc2c(c1NC(=O)CSc1sc(Nc2c(OCC)cccc2)nn1)C#N	PC-id_24366971	457.592	IOWPPOXRHASKPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144889
s1c2CCCc2c(c1NC(=O)CSc1sc(NCc2ccc(OC)cc2)nn1)C#N	PC-id_24522106	457.592	QWUUTKGHESIYOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144890
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)OC(=O)CCCC[C@]1(C)CCSS1	SCHEMBL16726833,PC-id_118084040	457.605	DRNBLPNECALMCY-VCUSLETLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144891
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CC=C)sc2CCCc2c1C#N	EMOLS-id_331788979,MCULE-8298783377	457.609	CQNQAPCPKFEDLF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-144892
c1(NC(=O)CS(=O)C(C)C(=O)Nc2c(CC)cccc2CC)sc2c(CCC2)c1C#N	MCULE-6468686588,EMOLS-id_320653788	457.609	OMMGKSPKQCKQCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144893
C=C/C=C(/[C@H](NC(=O)Nc1ccc(cc1)S(=O)(=O)Cc1sc2c(c1)CN(C2)C)C)C=C	PC-id_145373005	457.609	IHSSIAIWQXHRDF-XQDXXFRFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144894
CCN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_30139465,MCULE-8193992327,ZINC22_9624660,PC-id_44012207	457.609	AJSWTSPMZUYHBQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-144895
NC(=O)c1c(NC(=S)NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCC2	ZINC22_16401266,PC-id_4505409	457.609	MADVPYPXYVWCAL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-144896
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N	PC-id_29959359	457.61	ZYOMBJPQJFOYTL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-144897
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)N(CC)CC	PC-id_16597978	457.611	JFOYITZGXNIAQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-144898
S(=O)(=O)(N1CCN(CC1)[C@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)N(CC)CC	PC-id_42103247	457.611	JFOYITZGXNIAQL-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-144899
S(=O)(=O)(N1CCN(CC1)[C@@H](C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)N(CC)CC	PC-id_42103249	457.611	JFOYITZGXNIAQL-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-144900
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1nc(nc(c1)C)C(C)C)C)C(=O)N	PC-id_41253193	457.612	RAARUZJSZFLFSN-HNNXBMFYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-144901
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1nc(nc(c1)C)C(C)C)C)C(=O)N	PC-id_41253199	457.612	RAARUZJSZFLFSN-OAHLLOKOSA-O	00000010100010100001100010000000000000000000000000000000	25-01-144902
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1nc(nc(c1)C)C(C)C)C)C(=O)N	PC-id_74755103	457.612	RAARUZJSZFLFSN-UHFFFAOYSA-O	00000010100010100001100010000000000000000000000000000000	25-01-144903
Cc1ccc(c(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882940	457.616	IETJZRJGFZDSCJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144904
Cc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_140882955	457.616	AORGNBKGLXSIIM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144905
Cc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)F	PC-id_145210907	457.616	ZSLCLHDRPANWCJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144906
Cc1ccc(F)cc1NC(=O)N1Cc2c(NC(=O)C3(CCC3)[Si](C)(C)C)n[nH]c2C1(C)C	PC-id_140882977,PD165319,MCULE-8221870427,EMOLS-id_337732649	457.616	FYIUNJAFLWNBAI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144907
CCc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)F	PC-id_140882926	457.616	MGZBTACGWBRJPA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-144908
CC[Si](C1(CCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1F)(C)C	PC-id_140882947	457.616	SPJFIUOYDKZCCA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144909
Fc1ccc(c(c1)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882980	457.616	JAPMQAUHLALJGO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144910
O=C(C1Nc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cc(F)ccc1C	PC-id_140883034	457.616	JZVGWSCRFLZLOM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144911
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cccc(c1C)F	PC-id_140882915	457.616	XWJLZWYQJPBFQC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144912
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cccc(c1F)C	PC-id_140882989	457.616	HXRKNYUWUILNIL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144913
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(C)cccc1F	PC-id_140882961	457.616	MCGGEEBVKXWKKX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144914
c1(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1852888,MCULE-8076645377,PC-id_1555740,CoCoCo_5793942,ZINC22_1749356	457.625	DRVDLZINWKEIGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144915
s1c2c(CCC2)c(c1NC(=O)COc1c(C(C)(C)C)cc(C(C)(C)C)cc1)C(=O)OCC	PC-id_17356500	457.625	JBRPCQLECJNSOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144916
Cc1cc(c(cc1)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195454,SCHEMBL20348586	457.632	FBCAZVXXROSGTI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144917
Cc1c(c(ccc1)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL20348501,PC-id_135195376	457.632	BRTGBSJRQOZUHX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144918
Cc1ccc(c(c1)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL20348555,PC-id_135195425	457.632	BXBVURFSKOOBCW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144919
Cc1c(c(ccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195437,SCHEMBL20348568	457.632	PRARKNUUOFYAKM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144920
CCc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL20348602,PC-id_135195470	457.632	MAPWFDGFHGYBAM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-144921
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC(=O)N2CC(CC(C2)C)C)CC1)C#N	PC-id_24589352	457.632	TVQGOKUYQZJZCJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-144922
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C([Si](C)(C)C)(C)C	PC-id_140817139	457.641	YSRFMZKAIJZMRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144923
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C([Si](C)(C)C)(C)C	PC-id_140301092	457.641	YSRFMZKAIJZMRR-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144924
CCCCCCCCCCCCCCCCCC(=O)c1cc(n2c1CC=C2)CC(=O)OCC	PC-id_141826431	457.688	CWGVYSKQFBNWTR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-144925
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(Cl)cc1	PC-id_45687431	457.726	FFEYAVPOYQKQIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144926
s1c2CN(CCO[Si](C(C)(C)C)(c3ccccc3)c3ccccc3)Cc2sc1=S	PC-id_10647523	457.747	LTPBSUVSDQXGMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144927
c1(NC(=O)C(C)Oc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-7096068574,EMOLS-id_334329305	457.769	QFSPNSKXAPDXLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144928
c1(NC(=O)COc2cc(C)c(c(C)c2Br)Cl)sc2c(CCC2)c1C(=O)N	PC-id_19202139,MCULE-1051001387	457.769	BDVIWLZOCRNFPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144929
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)c(Cl)cc1	PC-id_44052894	457.772	OOLLXCLUWUNBDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144930
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)Cl)sc2CCCc2c1C#N	EMOLS-id_333647263,MCULE-7825849772	457.89	DIWNSPJJQBEXAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144931
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333650577,MCULE-4814729390	457.89	XFUUGKLRYIIZIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144932
c1(NC(=O)COc2nonc2C(=O)Nc2c(C)ccc(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333678328,MCULE-9477231980	457.89	MWWDHMOLANDSII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144933
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(C)c(Cl)c2)sc2CCCc2c1C#N	MCULE-5525757444,EMOLS-id_333679604	457.89	OJKQTSLNIPTXIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144934
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(Cl)c2C)sc2CCCc2c1C#N	MCULE-1599011215,EMOLS-id_333677816	457.89	GEPPOYYHMYRUNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144935
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(Cl)cc2C)sc2CCCc2c1C#N	MCULE-2288998964,EMOLS-id_333679096	457.89	HWUPUSOYDQGEIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144936
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(Cl)c(C)c2)sc2CCCc2c1C#N	MCULE-2616379715,EMOLS-id_333678839	457.89	IPSJZGRIRABDHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144937
c1(NC(=O)COc2nonc2C(=O)NCc2ccccc2Cl)sc2CCCc2c1C#N	EMOLS-id_333713979,MCULE-3529532779	457.89	ZQIRVAJMUKNCLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144938
c1(NC(=O)COc2nonc2C(=O)NCc2ccc(cc2)Cl)sc2CCCc2c1C#N	MCULE-5186848952,EMOLS-id_333716285	457.89	GNDUSLFMUQCPCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144939
Clc1c(S(=O)(=O)N)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_16567058	457.908	RGQVLABRJFHEEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144940
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3619144145,EMOLS-id_334337701	457.93	XEFFAZPZOGNQTD-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-144941
CCCOc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1OC	EMOLS-id_324884489	457.93	VJIATJDJOBKQRZ-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144942
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_324842750	457.93	RIQPTPRNKPOIFN-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144943
CCOc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1OCC	EMOLS-id_324883465	457.93	UEUSPQQEEVYQOS-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144944
CCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1OCC	EMOLS-id_324841726	457.93	FACSKXNSWYTKPF-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144945
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(OC)c(OC)cc2)cc1	PC-id_16947433	457.93	UDNRZGFCTPYMFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144946
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(OC)ccc(OC)c2)cc1	PC-id_16947435	457.93	CVDSYUUIAFIWDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144947
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(OC)cc(OC)cc2)cc1	PC-id_16947434	457.93	JCCUHWKWZNVETQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144948
Clc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)cc1	PC-id_16948041	457.93	HYZZLBSNUYUFLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144949
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)ccc1OC	PC-id_16947948	457.93	NBBIQDYYGGABNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144950
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)c(OC)cc1	PC-id_16947920	457.93	MWAVKSUSBQRJKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144951
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)ccc1	PC-id_16948040	457.93	ZBJMJJCZZHHEFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144952
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1ccccc1Cl	MCULE-6537529956	457.93	VJIATJDJOBKQRZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144953
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-4152483552	457.93	RIQPTPRNKPOIFN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144954
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1ccccc1Cl	MCULE-5480448122	457.93	UEUSPQQEEVYQOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144955
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-6577155785	457.93	FACSKXNSWYTKPF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144956
Clc1ccc(/C=C/c2nc3s/c(=C/c4cccc(Oc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_27022631	457.931	XAVYYLNCMFZHOX-KJNJSDGNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144957
Clc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Oc5ccccc5)c4)/c(=O)n3n2)cc1	ZINC22_16735165,EMOLS-id_45964805	457.931	XAVYYLNCMFZHOX-CEFCJMCMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144958
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-1745768532	457.931	XAVYYLNCMFZHOX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144959
Clc1c(C(=O)NC2CCC(CC2)CCc2n[nH]c3c2CSC3)cc(cc1)C(F)(F)F	PC-id_58317309	457.94	QRISYKOPBXLGBX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-144960
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CCC)n2)sc2c(CCC2)c1C(=O)OCC	MCULE-9010608071,PC-id_18880106	457.951	OXIDXPSNXLLZMC-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-144961
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C#N	EMOLS-id_323173560,MCULE-5669141649	457.953	XLUDSVZXOCXAQE-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-144962
Clc1ccc(c2sc(c(n2)C)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_24524183	457.953	FSRJCWPOQJMCMJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144963
N#Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	MCULE-2171007096,ZINC22_6146944,PC-id_2375475,CoCoCo_3706239,EMOLS-id_3015468	457.953	DDVGFEMUPREBMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144964
N#Cc1c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)sc2c1CCC2	BindingDB_PC-id_44324305,CHEMBL420804,PC-id_44324305	457.953	GSSXFSFSSKSNJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144965
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322525041,MCULE-4499438318	457.956	AWYSNZVSADPXDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144966
Cc1csc2nc(Cl)c(/C=c/3sc4nc(CCCOc5ccccc5)nn4c3=O)n12	EMOLS-id_324851446	457.956	UEHVSSZEZLMSJY-GDNBJRDFSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144967
Cc1csc2nc(Cl)c(/C=c/3sc4nc(COc5c(C)cccc5C)nn4c3=O)n12	EMOLS-id_324870664	457.956	TYBJSQULBUXXLR-AUWJEWJLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144968
Cc1csc2nc(Cl)c(/C=c/3sc4nc(COc5cccc(C)c5C)nn4c3=O)n12	EMOLS-id_324876810	457.956	HWSRTDXGADHNKK-CHHVJCJISA-N	00000000100000110001000110000000000000000000000000000000	25-01-144969
Cc1csc2nc(Cl)c(/C=c/3sc4nc(COc5cc(C)ccc5C)nn4c3=O)n12	EMOLS-id_324878861	457.956	BRRRRWXSIHVUQS-CHHVJCJISA-N	00000000100000110001000110000000000000000000000000000000	25-01-144970
CCc1cccc(OCc2nc3s/c(=Cc4c(Cl)nc5scc(C)n45)/c(=O)n3n2)c1	EMOLS-id_324890120	457.956	GDIBAKQMUAUPPY-NVNXTCNLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144971
CCc1ccc(OCc2nc3s/c(=Cc4c(Cl)nc5scc(C)n45)/c(=O)n3n2)cc1	EMOLS-id_324885007	457.956	XEAFKUYPZUYTBC-NVNXTCNLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144972
Clc1ccc(n2c(SCC(=O)Nc3sc4CCCc4c3C#N)nc(=O)cc2N)cc1	PC-id_4414660	457.956	DKUODGSHBKBKSK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144973
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CCCOc1ccccc1	MCULE-7985059946	457.956	UEHVSSZEZLMSJY-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144974
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1ccc(cc1)CC	MCULE-5999436068	457.956	XEAFKUYPZUYTBC-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144975
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1cccc(C)c1C	MCULE-4802651185	457.956	HWSRTDXGADHNKK-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144976
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)CCc1ccccc1	MCULE-4671740495	458.328	FHBAEZILCLDJHC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145015
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1c(C)cccc1C	MCULE-5085191656	457.956	TYBJSQULBUXXLR-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144977
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1cc(C)ccc1C	MCULE-6031257846	457.956	BRRRRWXSIHVUQS-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144978
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1cccc(CC)c1	MCULE-6906467845	457.956	GDIBAKQMUAUPPY-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-144979
COc1ccc(cc1OCCc1cccc(c1)C)NC1(Cc2c(C1)cc(s2)Cl)C(=O)O	SCHEMBL18874414	457.97	ZOLQSECZIIZAJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144980
Clc1ncccc1C(OCC#Cc1c2CCCc2sc1C(=O)OCC)c1sccc1	PC-id_76310792	457.993	GKBLVEBSZSOHCQ-UHFFFAOYSA-N	00000010100100101000000010000000000000000000000000000000	25-01-144981
COC(=O)c1c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)sc2c1CCC2	ZINC22_408573987	457.993	GQPDWBQXGFUZOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144982
CCCCCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1Cl	SCHEMBL11601452,PC-id_20351615	458.033	YVSCNGGHJOKHSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144983
COC1=CC=C(C=C1)CC2=C(N3[C@H](S2)/C(=CC4=CN5CCS(=O)(=O)C5=N4)/C3=O)C(=O)[O-]	PC-id_154423263	458.049	GWUMDRXFMSSNIL-GIIHOQTISA-M	00001011100000110001001010000000000000000000000000000000	25-01-144984
C1CC(=C(N=C1)C(C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F)O)F	PC-id_164872201	458.098	HLGGYQLETIFVBM-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-144985
CC1=C(N2CCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278736	458.104	YFOBWYSSBBKCCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144986
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COC3=CC=C(C=C3)C=O	PC-id_153305159	458.151	IHDYWJLKUYDCLQ-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-144987
Brc1cc(CN2CCn3c2c(C(=O)O)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740143	458.153	TZTGBDCOWAJBMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144988
CC1(COC2=C(C=NN21)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N)C	PC-id_165370270	458.178	AKZJYPPGZHXGFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144989
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=CN)NN)C(=O)Nc1c(cc(cc1)F)F	PC-id_163683484	458.188	JMUYUJIXADXEBD-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-144990
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2CCC3=CC=C(C=C3)CO	PC-id_152639198	458.188	ZFEOKKCKDDQIPW-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144991
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)CCC3=CC=C(C=C3)CO	PC-id_151399847	458.188	OWGABATXYYMWKE-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-144992
CC1=CC(=CC(=C1OCCCNC(=O)CO)C)CCC(=O)C2=C3CCC(C3=C(S2)C)C=[OH+]	PC-id_147840491	458.2	HSWIKHNZXTUNQJ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-144993
CC(C)C1=CC=C(C=C1)CN2C(=CC=N2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	CHEMBL4461030,PC-id_155268459	458.207	WLUIXYUIAQFVEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-144994
CC(C)(C)N1C(=CC(=N1)C2=CC=CC=C2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	CHEMBL4520430,PC-id_155268995	458.207	ACKAYYBMHKLTHJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144995
CC(C)CN1C(=CC(=N1)C2=CC=CC=C2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	PC-id_155268783,CHEMBL4460370	458.207	MBACUHRJZOXAQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-144996
CCC1=CC(=C(C=C1C2=CC(=C(C=C2)C(=[NH2+])C3=NC4=C(N3)CN(C4)CC5=NC=CN=C5)N)F)O	PC-id_154689175	458.21	XJTPWHHQWYYYST-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-144997
C1CN2C=CN=C2[C@@H]1OC(=O)NCCCCCCCCCNC(=O)OC3CCN4C3=NC=C4	PC-id_161812865	458.264	IFCVGFGBNBCSNF-MRTLOADZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-144998
COc1ccc(Br)cc1/C=c/1sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O	ZINC22_27023154,EMOLS-id_45970854	458.304	NEVPDVLHSTUSGN-TZGYRSQPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-144999
n12nc(nc1sc(=Cc1cc(Br)ccc1OC)c2=O)C=Cc1ccc(cc1)F	MCULE-1624366512	458.304	NEVPDVLHSTUSGN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145000
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1Cl)Cl)C(=O)OC	EMOLS-id_1859355,MCULE-2054359634,STOCK2S-64029,SPECS-id_AF-399/13428146,PC-id_2789271,ChEMBL-DNDi_CHEMBL5989490	458.312	QVUISMWAIHUOLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145001
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1c(Cl)ccc(Cl)c1)C(=O)OC	MCULE-2484347687,PC-id_19171161	458.312	SKGDTUYLOVTXSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145002
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1[C@H](C(=O)OC)CC2	PC-id_1051248,ZINC22_729944,CoCoCo_725776	458.312	QVUISMWAIHUOLL-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145003
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_729945,CoCoCo_725777,PC-id_1051249	458.312	QVUISMWAIHUOLL-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-145004
COC(=O)c1c(NC(=O)COC(=O)COc2c(Cl)cccc2Cl)sc2c1CCC2	EMOLS-id_43792575,PC-id_2400877,MCULE-9106448278,ZINC22_3285351,CoCoCo_3146849	458.312	ZKIWWFKWXDVDLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145005
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	EMOLS-id_324881922	458.328	VMKIGDCLUOICFH-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145006
CCOc1ccc(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_324880901	458.328	BLWDXFTXBYIDAN-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145007
COc1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324840185	458.328	FHBAEZILCLDJHC-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145008
COc1ccc(Cc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324924936	458.328	QTCNRURRSPDABV-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145009
COc1ccc(Cc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1OC	EMOLS-id_324923915	458.328	MMNIEJLJMPMORK-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145010
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-3515579701	458.328	QTCNRURRSPDABV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145011
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1ccc(cc1)OCC	MCULE-4210375106	458.328	VMKIGDCLUOICFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145012
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2957129761	458.328	MMNIEJLJMPMORK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145013
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1ccc(cc1)OCC	MCULE-5882261867	458.328	BLWDXFTXBYIDAN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145014
Ic1ccc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_20408902	458.337	SJOPHMCYDOJYRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145016
Ic1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_20409285	458.337	WKQPQKYDJXJYFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145017
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	SCHEMBL3485853,PC-id_24948069	458.34	KYYWDWZHBHCKSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145018
Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	SCHEMBL3485973,PC-id_24946950	458.34	VAWLPBDBGZNWBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145019
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1cc(nc(n1)Cl)Cl)C	PC-id_87235187,SCHEMBL1370848	458.344	CXTHODJHGHVHGD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145020
CC1(C)N(Cc2c(Nc3cc(Cl)nc(Cl)n3)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1	PC-id_59474143,SCHEMBL12143682,BindingDB-id_218894,BindingDB_PC-id_59474143	458.344	CXTHODJHGHVHGD-PUODRLBUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145021
Clc1cc(nc(n1)Cl)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL1370846	458.344	CXTHODJHGHVHGD-GXTWGEPZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145022
Clc1cc(nc(n1)Cl)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247499,PC-id_11525387	458.344	CXTHODJHGHVHGD-OCCSQVGLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145023
Brc1ccc(n2c(c(cc2C)C(=O)COC(=O)c2sc3CCCc3c2)C)cc1	PC-id_3515848	458.368	UTYAHOHCBQQKJQ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-145024
COC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	BindingDB_PC-id_118483538,BindingDB-id_435299,SCHEMBL17223059,PC-id_118483538	458.382	CTUOVDKHQQRVDA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145025
CC[N+]1(c2c(C(=N1)NC(=O)c1ccc(cc1)OC(F)(F)F)sc(c2)C(=O)OC)C(=O)O	PC-id_91801350	458.388	XGIDTAHSPANNSF-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-145026
Brc1c(cc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_52492056	458.393	GLVJANGFZQFBLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145027
COCCN1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	SCHEMBL17223020,BindingDB_PC-id_118483498,BindingDB-id_435307,PC-id_118483498	458.425	YHHHPDPWTNQOQT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145028
COC1CN(C1)C(=O)c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F	PC-id_24772154,SCHEMBL2162076	458.427	YBEMDUGJUMOIHP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-145029
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C#N)C)F	SCHEMBL20252985,PC-id_134599084	458.433	RUGQTPAZBJYSQV-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-145030
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18739993	458.433	YDXGJXMMZFGYHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145031
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18739991	458.433	YDXGJXMMZFGYHU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145032
CC[C@@H]1CN(CCN1C(=O)[O-])C(=O)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69635350,SCHEMBL6010805	458.445	FYLYLZQWRNLZEL-RBFZIWAESA-M	00000010100010110001000010000000000000000000000000000000	25-01-145033
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CC(N(CC2)C(=O)[O-])CC)cc1)C	PC-id_77712972	458.445	FYLYLZQWRNLZEL-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-145034
BrCCCCCCN1S(=O)(=O)c2c(S1(=O)=O)c(sc2C)C(C)(C)C	SCHEMBL18326640	458.454	YHCIHUNGUJUXBG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145035
COc1c(F)cc(c(c1F)F)SC1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_142674311	458.455	RHTVJLALDNPSTA-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-145036
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)CN1CCC(CC1)Sc1ccc(cc1)OC(F)(F)F	PC-id_140503035	458.455	MQQHWBQZLOZZDJ-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145037
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CN1CCC(CC1)Sc1ccccc1OC(F)(F)F	PC-id_69481974,SCHEMBL5545184	458.455	QICAYFVNOJTNTI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145038
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N	PC-id_2499403	458.456	QNLSVLMDAUBBAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145039
NC(=O)c1c(NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)sc2c1CCC2	CoCoCo_3008372,EMOLS-id_24991811,ZINC22_24664856,MCULE-6932585587,PC-id_31986930	458.459	GUMKAFIWVBRIFP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145040
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cc(cc(c1)F)F	PC-id_134302943,SCHEMBL19920661	458.461	DRUBOANOLYGMMZ-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145041
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19920679,PC-id_134302961	458.461	YHCPTQBXZDRSMM-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145042
Fc1cc(cc(c1)F)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)C1CNNN1	PC-id_146047454	458.461	MSUMGVGPJBLCTJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145043
O=C(C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)F)F)NC1(CC1)C1CNNN1	PC-id_146047449	458.461	PEXRKOBZPPCMOX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145044
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1c[nH]c(=O)n(c1=O)Cc1ccccc1F	PC-id_121026948	458.463	IIUNGVMDDABPCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145045
S(C1=C(C(c2n1nc(NC(=O)N(C)C)c2C#N)C#N)C(F)(F)F)c1sc(=S)[nH]n1	PC-id_18339502	458.464	YSKNHYVOIKJLHJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-145046
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCOCC1)CNC2(C)C	SCHEMBL4278090,PC-id_57703861	458.468	MEQAFVMXVITUAR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145047
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1ccc(SC(F)(F)F)cc1)C)C(=O)N	PC-id_30931011	458.474	JIFMWMOADKPSCG-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145048
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1ccc(SC(F)(F)F)cc1)C)C(=O)N	PC-id_30931012	458.474	JIFMWMOADKPSCG-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-145049
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1ccc(SC(F)(F)F)cc1)C)C(=O)N	PC-id_85477409	458.474	JIFMWMOADKPSCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145050
OCc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C)C	SCHEMBL18758524	458.476	RHIKMKFZGYMKBT-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145051
OCc1nn2c(c1C(=O)NC(c1ccc(cc1)C)C)N(CC2)Cc1cccc(c1)C(F)(F)F	PC-id_145296787	458.476	XVAARLWRHHKBIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145052
c1(NC(=O)c2ccc(cc2F)F)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	CoCoCo_5277784,EMOLS-id_24913573,PC-id_30862789,MCULE-5592631785,ZINC22_23139564	458.481	AWLPQJJMAMXIQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145053
S1Cc2c(nn(c2NC(=O)c2cc(F)c(F)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053476	458.481	QBGPYEXTRVRMOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145054
S1Cc2c(nn(c2NC(=O)c2c(F)cccc2F)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053548	458.481	MRCJTHFAKDXKBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145055
S1Cc2c(nn(c2NC(=O)COc2ccc(F)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053633	458.481	NIMPFPVBOXJATE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145056
S1Cc2c(nn(c2NC(=O)COc2c(F)cccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053632	458.481	UIPMTMXOJCRKNC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145057
CC(C(=O)Nc1c(c2c(s1)CCC2C(=O)OC)C(=O)OC)NC(=O)c1ccccc1C=O	PC-id_88275445,SCHEMBL8290530	458.484	MIOLNSXMPWHWJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145058
Cc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL18031092,PC-id_122501187	458.488	AYOCULFECVKMFD-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145059
Cc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL19704654	458.488	AYOCULFECVKMFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145060
CC(=O)Nc1cc(NC(=O)C)cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_4844495,EMOLS-id_3382877,MCULE-2706300872,CoCoCo_3084166,ZINC22_9120582	458.488	SWIRGOQWMANGQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145061
NC(=O)c1c(NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCC2	MCULE-3347356397,PC-id_3662813,CoCoCo_3049297,EMOLS-id_15230070,ZINC22_9562372	458.488	VHRGZALWZLPOFR-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-145062
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2C[C@H](N(CC2)C(=O)[O-])C(C)(C)C)cc1)C	SCHEMBL6010661,PC-id_69635189	458.488	YKOMEHHTMXZNCQ-LBOXEOMUSA-M	00000010100010110001100010000000000000000000000000000000	25-01-145063
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CC(N(CC2)C(=O)[O-])C(C)(C)C)cc1)C	SCHEMBL6010655,PC-id_69635183	458.488	YKOMEHHTMXZNCQ-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-145064
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2C[C@H](N(CC2)C(=O)[O-])C(C)(C)C)ccc1)C	SCHEMBL6010831,PC-id_69635374	458.488	QUVPAZXRCNCTAG-LBOXEOMUSA-M	00000010100010110001100010000000000000000000000000000000	25-01-145065
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2CC(N(CC2)C(=O)[O-])C(C)(C)C)ccc1)C	PC-id_69635368,SCHEMBL6010822	458.488	QUVPAZXRCNCTAG-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-145066
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N2CCCC2)ccc([N+](=O)[O-])c1)C(=O)N	PC-id_24381253	458.488	AELSZSBCQJNGPB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-145067
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCC(=O)N)cc1)C)C(=O)OC	PC-id_19658154	458.488	DRTBXAJSIHAMQF-BHGWPJFGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145068
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCC(=O)N)cc1)C)C(=O)OC	PC-id_73632666	458.488	DRTBXAJSIHAMQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145069
c1(NC(=O)COc2nonc2CC(=O)N2CCC(CC2)C(=O)N)sc2CCCc2c1C#N	EMOLS-id_333692456,MCULE-6976954729	458.491	QHYPAVVWNNLKDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-145070
s1c2CCC(C(=O)NC3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1ccccc1	PC-id_16947163	460.591	FGRVOOJXFWPJHK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145773
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)C(=O)C)sc2CCCc2c1C#N	EMOLS-id_333691942,MCULE-8421604496	458.491	NGALWJLMIBYZGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-145071
c1(NC(=O)COc2nonc2C(=O)NCCCN2CCCC2=O)sc2CCCc2c1C#N	MCULE-8283710701,EMOLS-id_333716282	458.491	CSQUIFFLCOTCCC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145072
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(c2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_321903100,MCULE-3259587085	458.492	ZHQFTZFBSOHFLJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145073
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C#N)sc2c(CCC2)c1C#N	MCULE-5274008522,EMOLS-id_321904380	458.492	BWOFKAKJMSRRKY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145074
c1(NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334327979,MCULE-4964201489	458.496	TTYUHVQICLHKTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145075
c1(NC(=O)c2ccccc2C(F)(F)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334335137,MCULE-8070552120	458.496	UEOKZYAHLNLKEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145076
CCOC(=O)c1nc2c(n1CCNC(=O)OCc1ccccc1)CN(C2)C(=O)OC(C)(C)C	PC-id_118614222,SCHEMBL17380487	458.507	VQNIVUTXCGGLSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145077
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2C[C@@H](N(CC2)C(=O)O)C(C)(C)C)cc1)C	PC-id_69635268	458.507	OMAYFBHSMCPJHH-BISSLNBESA-N	00000010100010110001100010000000000000000000000000000000	25-01-145078
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2CCN(CC2)C(=O)OC(C)(C)C)cc1)C	PC-id_67275180,SCHEMBL2093764	458.507	PRXHBFBNSMYYBL-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145079
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2CC(N(CC2)C(=O)O)C(C)(C)C)cc1)C	PC-id_69635265	458.507	OMAYFBHSMCPJHH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145080
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C2CCN(CC2)C(=O)OC(C)(C)C)cc1)C	SCHEMBL2093767,PC-id_23081135	458.507	PRXHBFBNSMYYBL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145081
CNCC(c1nccs1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_71191436,SCHEMBL14522094	458.509	BOVNEODLXFEBQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145082
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)c1ncccn1)C(=O)OCC	PC-id_56109726	458.511	WZDDQQDWPPIVDC-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-145083
s1c2CCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(cc2)C)cc1	PC-id_33040700	458.511	JMCDJAITYFAQGB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145084
CCOC(=O)C1CCc2c1nc(s2)NC(=O)Cc1csc(n1)NC(=O)c1ncccn1	PC-id_121032738	458.514	BBNWTVJBXISJTR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-145085
c1(NC(=O)c2ccc(cc2)OC(=O)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7857393981,EMOLS-id_334333859	458.527	DXEUJLVCZLAFTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145086
CCOC(=O)c1c(NC(=O)COc2ccccc2C(=O)N2CCOCC2)sc2c1CCC2	EMOLS-id_11799221,MCULE-9209884479,ZINC22_9908791,CoCoCo_4426074,PC-id_16354442	458.527	LTOSOVRPROXAEU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145087
CNc1c2c(cs1)C(=O)N(C2=O)C(CC(=O)OC)c1cc(c(cc1)OC)OC1CCCC1	SCHEMBL15015432,PC-id_89617318	458.527	DAMWIRNEFNAQRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145088
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)/C=C/c1cc(OC)c(OCC)cc1)C)C(=O)N	PC-id_24498663	458.527	FURXRCCVAHTSOT-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145089
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1cc(OC)c(OCC)cc1)C)C(=O)N	PC-id_74287800	458.527	FURXRCCVAHTSOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145090
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(OCCC)cc1)C(=O)N	PC-id_3464384	458.527	LOANYQYBJRSIBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145091
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(cc(c1)C)C)C(=O)OCC	PC-id_45693404	458.527	CZCAKVFOUQLYSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145092
c1(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340512,MCULE-8804894815	458.529	UMKNYSCODSLSOH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145093
O=C(C1CCc2c1nc(s2)NS(=O)(=O)C1CC1)Nc1ccc(cc1)c1cncc(c1)F	PC-id_138673785,SCHEMBL21044345	458.529	OXWLBRDZIVYSNA-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-145094
O=C(C1CCc2c1sc(n2)NS(=O)(=O)C1CC1)Nc1ccc(cc1)c1cncc(c1)F	SCHEMBL21076937,PC-id_138701205	458.529	RYUUMHKXRUEENA-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-145095
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(C(=O)c2cc(c(cc2)C)C)cccc1)C#N	PC-id_29927350	458.529	GCKJLWDGUHUHCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145096
s1c2CCCc2c(c1NC(=O)COC(=O)/C(=C/c1c(OC)cccc1)/c1ccccc1)C#N	PC-id_16533962	458.529	YAPBRTABYLNQPM-XSFVSMFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145097
s1c2CCCc2c(c1NC(=O)COC(=O)C(=Cc1c(OC)cccc1)c1ccccc1)C#N	PC-id_73268954	458.529	YAPBRTABYLNQPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145098
c1(cc(ccc1N1CCN(CC1)C)C(=O)Nc1sc2CCCc2c1C(=O)OCC)N(=O)=O	MCULE-4345994955,EMOLS-id_328009749	458.531	UWTSLQPKFQCLBY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145099
c1(NC(=O)COc2cccnc2NC(=O)OCCOCCCC)sc2c(CCC2)c1C#N	MCULE-2562614700,EMOLS-id_321795878	458.531	ALSVLBYYYBEHDD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145100
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331926045,MCULE-4778447217	458.531	UOZYYDOMGUEQIT-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-145101
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCO)sc2CCCc2c1C#N	MCULE-4448337927,EMOLS-id_331928851	458.531	QTRLIAUAXKDPOD-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-145102
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCOC)sc2CCCc2c1C#N	MCULE-7031503013,EMOLS-id_331920151	458.531	RYTHWOYMNJQTBM-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-145103
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCO)sc2CCCc2c1C#N	EMOLS-id_331928349,MCULE-6193400748	458.531	IUEZXTFSNFJIMX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-145104
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484931,PC-id_135315448	458.531	UVSCKTUZEOQDKO-JOCHJYFZSA-N	00101010100000000001100010000000000000000000000000000000	25-01-145105
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484933,PC-id_135315450	458.531	UVSCKTUZEOQDKO-UHFFFAOYSA-N	00101010100000000001100010000000000000000000000000000000	25-01-145106
CCCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)Cc1nnc(c2ccco2)o1	CoCoCo_3595144,MCULE-5430511670,PC-id_17541971,EMOLS-id_16803149,CoCoCo_3595143,ZINC22_12796167	458.531	SQPUGHMDNPKPDY-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145107
CCN(CC)c1cc(c(cc1)/C=N/NC(=O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)O	PC-id_135554179	458.531	IIFZEZFEHFBUJH-FSJBWODESA-N	00000010100000110000000010000000000000000000000000000000	25-01-145108
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(N2CCN(CC2)CC)cc1)C(=O)OC	PC-id_24130837	458.531	OSBDNAWVBBSUII-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145109
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_22198540	458.531	IRMMJFHJYPQOOJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145110
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_27207468	458.531	LJWJGGRPHDPENW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145111
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)c1ncccn1)C(=O)OCC	PC-id_55701246	458.531	DYEIFTNBTFGGDC-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-145112
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C=C
/C(=O)C=C(N(CC)CC)C=C1)C(=O)OC	PC-id_19658743	458.531	AFBLCWKMZOPREQ-OUKQBFOZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-145113
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC=C1C(=O)C=C(N(CC)CC)C=C1)C(=O)OC	PC-id_73633244	458.531	AFBLCWKMZOPREQ-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-145114
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)C(=O)OCC	PC-id_16947823	458.531	LDDNLRMKDGUDIM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145115
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)C(=O)C	PC-id_16948097	458.531	MYUKXLBYIFLGOY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145116
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1ccc(OCC)cc1)C(=O)OCC	PC-id_49710065	458.531	OAISGFOAPLHLJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145117
s1c2CCC(C(=O)N3CCC(CC3)C(=O)N)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16948113	458.531	AOGQLWRDYVZGQH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145118
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccc(cc2)C)sc2c(CCC2)c1C#N	MCULE-5385765445	458.532	VEOPJFGHKQYTAP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145119
Cc1cccc(c1)S(=O)(=O)C1NCc2c1c(n[nH]2)NC(=O)c1ccc(cc1)c1ccccc1	PC-id_141251715	458.532	VHVLEFOLXAYHMK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145120
Cc1cccc(c1)S(=O)(=O)C1NCc2c1[nH]nc2NC(=O)c1ccc(cc1)c1ccccc1	SCHEMBL2917099,PC-id_68440182	458.532	PJAIZNVRSMKBHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145121
Cc1ccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_321805438	458.532	VEOPJFGHKQYTAP-VAWYXSNFSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145122
O=C(c1ccc(cc1)c1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL2917095,PC-id_68440181	458.532	VHYXZHHUDSLPKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145123
O=C(c1ccc(cc1)c1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2921460,PC-id_68441590	458.532	DYLSOXVJMHLEOE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145124
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)c2ccccc2)CC(=O)NCc2occc2)C1	PC-id_44053297	458.532	ZZWMISCDGUONFD-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-145125
S1Cc2c(nn(c2NC(=O)CSc2ncccn2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053650	458.532	QARWSAWDHUXQMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145126
c1(NC(=O)COc2nonc2CC(=O)N2CCC(CC2)N(C)C)sc2CCCc2c1C#N	MCULE-8397617977,EMOLS-id_333690408	458.534	SKAKTZVPEVBJND-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-145127
c1(NC(=O)COc2nonc2C(=O)NCCCCN2CCCC2)sc2CCCc2c1C#N	EMOLS-id_333715517,MCULE-4088504227	458.534	OZDVRJCIZSFOEZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145128
O(CCN(c1ccc(/N=C/c3n([n+](c(n3)C)C)N=C2C)cc1)CCC#N)c1ccc(OC)cc1	PC-id_60126450	458.536	BNUGMKVVLNMSPR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-145129
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)c1ccc(cc1F)C(=O)C	PC-id_16353154,EMOLS-id_11798047,MCULE-4290138848	458.549	RZARSXDCIUXNEL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145130
CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)c(F)c1	PC-id_41235773,CoCoCo_4235783,ZINC22_57281451,CoCoCo_4235784	458.549	RZARSXDCIUXNEL-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145131
CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)c(F)c1	ZINC22_57281449,CoCoCo_4235781,CoCoCo_4235782,PC-id_41235771	458.549	RZARSXDCIUXNEL-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145132
CCOC(=O)c1c(NC(=O)c2cccn2S(=O)(=O)c2ccc(C)cc2)sc2CCCc12	EMOLS-id_327882596,MCULE-5526941468	458.55	UXMFNJXOTPBQCI-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-145133
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4c(s3)CCC4)ccc2OC)cc1	PC-id_17406623,MCULE-5645616760,ZINC22_9157135,EMOLS-id_11913315,CoCoCo_3926699	458.55	OEOZMDGJAAGRLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145134
COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=O)c2cc3c(s2)CCC3)cc1	CoCoCo_3758296,MCULE-1408201938,EMOLS-id_48976266,ZINC22_3230507,PC-id_2348575	458.55	QKTCRVSVUUJROT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145135
COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc2c(s1)CCC2	ZINC22_12532539,MCULE-5356029716,PC-id_17446787,EMOLS-id_13468751,CoCoCo_3246737	458.55	FMOBNHKVTRISLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145136
s1c2CCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1ccc(S(=O)(=O)N)cc1)C	PC-id_40924920	458.55	HAOMVYFVKRPLLC-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-145137
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(C)CCC1)C(c1ccccc1)Oc1ccccc1	SCHEMBL19312170	458.552	DSHOSLZUYDCZMW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145138
CCOC(=O)c1c(NC(=O)CSc2nncn2c2ccc(OC)cc2)sc2c1CCC2	EMOLS-id_43790595,MCULE-7256184279,PC-id_2401202,ZINC22_3285668,CoCoCo_3139080	458.554	ZZLUFKWVUATMQF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145139
CCOC(=O)c1c(NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)sc2c1CCC2	EMOLS-id_13398184,ZINC22_16685232,CoCoCo_3122482,MCULE-9917373610,PC-id_16269995	458.554	UXJMLVGJEPWODV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145140
Cn1ccc(cc1=O)CN1Cc2c(C1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170792,SCHEMBL19771960	458.554	BIDYHEQUOXCYEV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-145141
COC(=O)c1c(NC(=O)CSc2nc(COc3ccc(C)cc3)n[nH]2)sc2c1CCC2	CoCoCo_3142974,CoCoCo_3142975,MCULE-9186807174,PC-id_2113717,CoCoCo_3142973,EMOLS-id_3221125,ZINC22_2650510,CoCoCo_3142972	458.554	AQQVUHGYGVUXND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145142
O=C(OC1CCn2c1ncc2)NCCCCCCCCCNC(=O)OC1CCn2c1ncc2	SCHEMBL19220270	458.554	IFCVGFGBNBCSNF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145143
O=C(O[C@@H]1CCn2c1ncc2)NCCCCCCCCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220307	458.554	IFCVGFGBNBCSNF-RTBURBONSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145144
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2c(OC)cccc2)cnn1)C(=O)OCC	PC-id_4814584	458.554	NADLYQGCXQIDOV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145145
s1c2c(CCC2)c(c1NC(=O)CSc1nc([nH]n1)c1ccc(OC)cc1)C(=O)OCC	PC-id_29962709	458.554	PXXVLNIUDRKLQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145146
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)C)C(=O)OC	PC-id_17267554	458.554	GQVZZDLNSUGGFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145147
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)C)C(=O)OC	PC-id_19730519	458.554	QUWAHCGCPJYONW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145148
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC=C)C(=O)OC	PC-id_19726219	458.554	QJADXRNQENLSED-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145149
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)C)C(=O)OC	PC-id_19730338	458.554	NHVUHTKNZUTSPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145150
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)CC=C)C(=O)OCC	PC-id_19724264	458.554	JGURSJKHSQLVAE-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145151
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)C)C(=O)OC	PC-id_17302318	458.554	FHSTUBDPYRNKSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145152
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1c(cccc1)C#N	PC-id_26832641	458.554	GLLOOTRDHUVABE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145153
c1(NC(=O)c2cccc(c2)C(=O)Nc2sc3c(CCC3)c2C#N)sc2c(CCC2)c1C#N	EMOLS-id_330366280,MCULE-1057770100,PC-id_5011964,ZINC22_15219247	458.555	ZIOWKGWGJALBRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145154
C[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1	PC-id_11994445,CHEMBL217748,BindingDB_PC-id_11994445,BindingDB-id_23391	458.555	CAQRLZFEWBTCCO-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145155
C[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1	PC-id_11487958,SCHEMBL2924598,CHEMBL427787,BindingDB_PC-id_11487958,BindingDB-id_23389	458.555	CAQRLZFEWBTCCO-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145156
CN1CCN(C(C1)c1ccccc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	BindingDB_PC-id_57523679,PC-id_57523679	458.555	HCBFTZDWYDBNFA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145157
CN1CCN([C@H](C1)Cc1ccccc1)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccc1	PC-id_59508365,SCHEMBL6376844	458.555	JAPRCEJWSDKPIX-ZYZRXSCRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145158
O=C(c1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CCN(C1)Cc1ccccc1	PC-id_58015671,SCHEMBL1205200	458.555	YCKVMAOKFQHWCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145159
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)CCc1ccccc1	PC-id_73951507	458.555	JBBCQDIPCGIDCB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145160
COCCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccncc1	MCULE-3118702719,ZINC22_9216799,EMOLS-id_43755839,CoCoCo_3014220,PC-id_16385482	458.557	AXACUOCZMZNQCL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-145161
s1c2c(CCC2)c(c1NC(=O)CCSc1n(N)c(nn1)c1cccnc1)C(=O)OCC	PC-id_17047434	458.557	LHXWJTSCMGEGEJ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-145162
s1c2c(CCC2)c(c1NC(=O)CCSc1n(N)c(nn1)c1ccncc1)C(=O)OCC	PC-id_17047549	458.557	GUSNJQYTPGGGRB-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-145163
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(OCC)cc1)C(=O)N	PC-id_24499939	458.557	JKBWEIOVTSXMJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145164
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)Nc1nc(cc(n1)C)C)C(=O)OCC	PC-id_49737355	458.557	PTPIBYAQFXNENN-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-145165
CC(C)c1nn2c(n1)C(=NNc1c(c(nn1c1ccccn1)C(C)(C)C)C#N)C(=N2)C(C)(C)C	PC-id_88961028	458.562	DURBVNKHXIZNTR-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-145166
CCCCC(CC)c1nnc2n1N=C(C2=NNc1c(cnn1c1ccccn1)C#N)C(C)(C)C	PC-id_89279461	458.562	RZSISZOHPNQKCB-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-145167
n12N=C(C(C)(C)C)C(=NN=C3N(N=CC3=C=N)c3ncccc3)c1nnc2C(CCCC)CC	PC-id_72362414	458.562	UFTFZSONWUXVKA-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-145168
n12N=C(C(C)(C)C)C(=NNc3n(ncc3[N+]#[C-])c3ncccc3)c1nnc2C(CCCC)CC	PC-id_59702876	458.562	ZSONQMDTTGTRDF-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-145169
n12N=C(C(C)(C)C)/C(=N/Nc3n(ncc3[N+]#[C-])c3ncccc3)/c1nnc2C(CCCC)CC	PC-id_59702944	458.562	ZSONQMDTTGTRDF-USHMODERSA-N	00000011100000101001100010000000000000000000000000000000	25-01-145170
n12N=C(C(C)(C)C)C(=NN=C3N(N=C(C(C)(C)C)C3=C=N)c3ncccc3)c1nc(n2)C(C)C	PC-id_72362456	458.562	GDEMINVFMKHQKO-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-145171
n12N=C(C(C)(C)C)/C(=N/Nc3n(nc(C(C)(C)C)c3[N+]#[C-])c3ncccc3)/c1nc(n2)C(C)C	PC-id_59702909	458.562	BCUOUKVUCCFINS-QRQIAZFYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-145172
n12N=C(C(C)(C)C)C(=NNc3n(nc(C(C)(C)C)c3[N+]#[C-])c3ncccc3)c1nc(n2)C(C)C	PC-id_59702965	458.562	BCUOUKVUCCFINS-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-145173
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6820035324	458.57	HTASWFYPSQJXRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145174
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334378,MCULE-1555489257	458.57	FKEOULTZXRVDSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145175
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCCOC)cc1OC	EMOLS-id_334387735	458.57	HTASWFYPSQJXRP-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145176
CCOC(=O)c1c(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)sc2CCCc12	MCULE-6219323773,EMOLS-id_327795373	458.57	FJQOPIQVDFYTTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145177
CCOC(=O)c1c(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_327910046,MCULE-3067275321	458.57	FJQOPIQVDFYTTM-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145178
COCc1ncc(c(n1)Nc1c[nH]c2c1CN(C2(C)C)C(=O)C1CC(C)(C)N(C[C@@H]1C)C)F	BindingDB_PC-id_118001229,SCHEMBL16627101,PC-id_118001229	458.572	ZPFQQARWWJAECF-MLCCFXAWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145179
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(F)cc1)C)C(=O)OC	PC-id_19677158	458.572	SONFHAHRWQLEPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145180
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(F)ccc1)C)C(=O)OC	PC-id_20171177	458.572	WJMLIQFNGCDCSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145181
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)cccc1)C)C(=O)OC	PC-id_20172315	458.572	DIMQLARYJZLRLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145182
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1ccc(cc1OC)OC	PC-id_1080854,CoCoCo_339803,MCULE-6620154801,EMOLS-id_1471870,ZINC22_22925075,CoCoCo_339804	458.574	PVZOTQNEPCBEON-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145183
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1c(OC)ccc(OC)c1	MCULE-1365511373,ZINC22_22942515,ChEMBL-DNDi_CHEMBL7013985,CoCoCo_868613,CoCoCo_868614,EMOLS-id_24848703,PC-id_1080848	458.574	ORFQGUZPVMPBRC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145184
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331925534,MCULE-2493258124	458.574	OUDYEGAEXKGMDV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145185
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCO)sc2CCCc2c1C#N	EMOLS-id_331929630,MCULE-9033858728	458.574	JMLKEDUMTMVZOU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145186
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCCO)sc2CCCc2c1C#N	MCULE-7795681269,EMOLS-id_331930902	458.574	NFHBZXXFEXWTCX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145187
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCO)sc2CCCc2c1C#N	MCULE-8987968376,EMOLS-id_331928340	458.574	VMPCONRQAWFGCY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145188
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCOC)sc2CCCc2c1C#N	EMOLS-id_331919640,MCULE-7842969276	458.574	BUADHZGAUDNURE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145189
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331921946,MCULE-5126239116	458.574	XZGTYPYOUDRKHM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145190
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCC)sc2CCCc2c1C#N	MCULE-8901813715,EMOLS-id_331919380	458.574	DLFKCIZVQMNIGU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145191
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331921941,MCULE-2868425045	458.574	VLTCLFNVTBJXAL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145192
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCC)sc2CCCc2c1C#N	MCULE-6255528591,EMOLS-id_331921945	458.574	PJWPDAJPUXZZQM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145193
COc1ccc(OCCN2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	CoCoCo_3684611,EMOLS-id_12004875,CoCoCo_3684612,ZINC22_22928991,PC-id_17555066,MCULE-1708973045	458.574	CGUJDHQMLNRPCO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145194
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1ccc(OCCCC)cc1	PC-id_44053139	458.574	FGHWUVNRSMONMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145195
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)COc1ccc(C(C)C)cc1	PC-id_44053079	458.574	BCEJWUNMSVCBQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145196
CCCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)N(C[C@@H]1C)C)F	PC-id_25155477,SCHEMBL2879310	458.575	OOKMPJVYBPSYMC-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145197
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324880390	458.875	JNEHDVSAMFLCAI-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145253
CC(C)c1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1	SCHEMBL3326175,PC-id_25155476,BindingDB-id_546072,BindingDB_PC-id_25155476	458.575	KXTWNPILDAXGMS-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145198
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1cc(ncc1F)N(C)C)(C)C	PC-id_69324118,SCHEMBL5131748	458.575	DKRAAKHRDVYZOF-AWEZNQCLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-145199
Fc1c(Nc2n[nH]c3C(N(C(=O)C4[C@H](CN(C(C4)(C)C)C)C)Cc23)(C)C)nc(nc1)NCC	PC-id_25158589	458.575	FEVJDKVRVMIATO-LSLKUGRBSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145200
c1(NC(=O)CS(=O)CC(=O)Nc2sc3c(CCC3)c2C#N)sc2c(CCC2)c1C#N	EMOLS-id_320677225,MCULE-4462329744	458.577	ZQKXVJKVJJLYRD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-145201
CC#CCC([C@@H](C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O)C	PC-id_57232980,SCHEMBL10992309	458.587	YEOPCLICSONRRO-GQBBEKLBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145202
CC#CCC([C@@H](/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O)C	PC-id_70487685,SCHEMBL10992305	458.587	YEOPCLICSONRRO-ALTXFRFPSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145203
CC#CCC([C@H](/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O)C	SCHEMBL10988671,PC-id_70487177	458.587	YEOPCLICSONRRO-LZJQGKLLSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145204
CC#CCC([C@H](C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O)C	SCHEMBL10988678,PC-id_54504229	458.587	YEOPCLICSONRRO-RXSSQLPGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145205
CC#CC[C@@H]([C@@H](C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)O)C	SCHEMBL10988674,PC-id_70487178	458.587	YEOPCLICSONRRO-BUIKAXHJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145206
O(C1C(c2c(oc(c2)CCCCC(=O)OC)C1)C=CC(O)C(CC#CC)C)C1OCCCC1	PC-id_76130044	458.587	YEOPCLICSONRRO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145207
CCOC(=O)c1c(sc2c1CCC2)NC(=O)[C@@H]([NH2+][C@@H](c1ccc(cc1)NC(=O)CC)C)C	GD-id_ZINC30500590	458.594	KIQWMURJISQNFM-CABCVRRESA-O	00000010100000110000000010000000000000000000000000000000	25-01-145208
COc1cccc(c1)NC(=O)c1c(NC(=O)C2CCCCC2C(=S)O)sc2c1CCC2	PC-id_135200392,SCHEMBL20353977	458.594	MMJKQZJMEZABPC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145209
COc1cc(OC)ccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2C)sc2c1CCC2	PC-id_26875325,GD-id_ZINC15946650	458.594	QVBHAVBUWFYIAB-OAHLLOKOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145210
COc1cc(OC)ccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@H](C2)C)sc2c1CCC2	PC-id_26457515,GD-id_ZINC00729065	458.594	TXVAIBWXXBXKQR-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145211
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_74516934	458.594	QYWLBUKAIGSFGT-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145212
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_74446570	458.594	TXVAIBWXXBXKQR-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145213
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C(CCCC1)C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_74514433	458.594	QVBHAVBUWFYIAB-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145214
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_27002890	458.594	QYWLBUKAIGSFGT-OAHLLOKOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145215
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_27002893	458.594	QYWLBUKAIGSFGT-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145216
s1c2c(CCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_25406314	458.594	TXVAIBWXXBXKQR-OAHLLOKOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145217
s1c2c(CCC2)c(c1NC(=O)C[NH+]1[C@H](CCCC1)C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_26875323	458.594	QVBHAVBUWFYIAB-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145218
CCN(CC)CCN(C(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)c1ccc(N)cc1	MCULE-6609077712,EMOLS-id_328335513	458.595	NKWLYKSCKOTQIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145219
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328220030,MCULE-8708719524	458.595	YTPBFQYRGFAHMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145220
Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	PC-id_16554913,MCULE-5905348324,EMOLS-id_321749037	458.597	GBWIXRUYHWTPFB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145221
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1	MCULE-5194290157,EMOLS-id_48932952,CoCoCo_3573930,ZINC22_13137271,PC-id_4275568	458.597	UVEOXLICPCCBTH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145222
Cc1ccc(NCC(=O)Nc2sc3c(c2C#N)CCC3)cc1S(=O)(=O)N1CCCCC1	CoCoCo_3686851,ZINC22_9469036,PC-id_16358654,EMOLS-id_11803191,MCULE-7197250096	458.597	USKZDMDGYFTGNC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145223
CCc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-6996376750,EMOLS-id_321754671	458.597	PHFYPLDCDDCOFF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145224
c1(NC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385684,MCULE-1797760446	458.613	GKGJLBOORCEHSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145225
c1(NC(=O)CCCOc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2042404144,EMOLS-id_334392849	458.613	DPFHRLPOHSQKIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145226
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7261900816,EMOLS-id_334386968	458.613	WGACHFZOOTVBFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145227
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1008348054	458.615	YQYWZMAZHZFGLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145228
CC(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334328229	458.615	YQYWZMAZHZFGLD-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145229
CCN(S(=O)(=O)c1ccc(cc1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)CC	PC-id_92109821	458.617	AWAONZXPQFMSDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145230
CO[C@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19536401	458.617	PQZNVHLDQXYTCB-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145231
CO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19537143	458.617	PQZNVHLDQXYTCB-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145232
OCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19312078	458.617	OUKLXRBALPSSSU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145233
OC[C@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19537145	458.617	OUKLXRBALPSSSU-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145234
OC[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19537467	458.617	OUKLXRBALPSSSU-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145235
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)CC(c1ccccc1)O	SCHEMBL19537085	458.617	AASOGWGUZWEUMM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145236
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)[C@H](Oc1ccccc1)C	SCHEMBL19537479	458.617	OKZHXMDLWKOIQJ-MRXNPFEDSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145237
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)[C@@H](Oc1ccccc1)C	SCHEMBL19537544	458.617	OKZHXMDLWKOIQJ-INIZCTEOSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145238
Cc1cc(nc([nH+]1)C(C)C)N1CC[NH+](CC1)[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC36382481,PC-id_51723500	458.62	RAARUZJSZFLFSN-OAHLLOKOSA-P	00000010100010100001100010000000000000000000000000000000	25-01-145239
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1[nH+]c(nc(c1)C)C(C)C)C)C(=O)N	PC-id_51723499	458.62	RAARUZJSZFLFSN-HNNXBMFYSA-P	00000010100010100001100010000000000000000000000000000000	25-01-145240
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1[nH+]c(nc(c1)C)C(C)C)C)C(=O)N	PC-id_75750450	458.62	RAARUZJSZFLFSN-UHFFFAOYSA-P	00000010100010100001100010000000000000000000000000000000	25-01-145241
n1sc(=S)n2c1N(CC2)SC(=S)N1CCN=C1NS(=O)(=O)c1ccccc1	PC-id_24205065,NSC734147,CHEMBL209640	458.625	HEIYGKUCEKPRHJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-145242
s1c2c(CCC2)c(c1NC(=S)NC(=O)C(c1ccc(CC(C)C)cc1)C)C(=O)OCC	PC-id_54782601	458.637	VSUMZILYVWLKGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145243
NC(=C)CCCCCc1cc(ccc1c1ccccc1)CNc1[nH]c2c(c1C)C(N(N2C)C)N	PC-id_143952848	458.642	XSDMFAUKKPAEOJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145244
CCCCC1CCC(CC1)c1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335798965,MCULE-4329095484	458.643	GBPKFXDGLXZJPR-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-145245
Cc1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=S)C1CCCCC1C(=O)S	SCHEMBL20354016,PC-id_135200429	458.66	XACCXPNZAGFZCF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145246
Brc1cc(Cl)c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_4083720	458.754	CBEXAMRWPUBRLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145247
Brc1c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)ccc(Cl)c1	PC-id_4981347	458.754	AUWYHHCUQRJWMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145248
c1(NC(=O)COc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-3190934006,PC-id_3538083	458.754	WJTTVDMOJJAXJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145249
c1(NC(=S)NC(=O)c2cc(Br)ccc2Cl)sc2c(CCC2)c1C(=O)N	ZINC22_724772,SPECS-id_AG-670/41728575,PC-id_1048356,CoCoCo_6352477,EMOLS-id_4143964,MCULE-2399550313	458.78	HTNFIPYGTKVFHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145250
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)C(F)(F)F)CN(C2(C)C)C(=O)Cl	SCHEMBL1204698,PC-id_58015608	458.819	KOIPTWOGYWUDTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145251
Cc1c(n2CCCc2c1C(=O)C(=O)NC12CC1(C2)C(=O)N)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134303111,SCHEMBL19920837	458.87	FAALSGIGBCVCRO-UHFFFAOYSA-N	00101010100000110000010010000000000000000000000000000000	25-01-145252
COc1ccc(Cc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324923404	458.875	AZEPBNLYEMMPSN-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145254
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-6008302067	458.875	AZEPBNLYEMMPSN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145255
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1ccc(cc1)OCC	MCULE-1839217214	458.875	JNEHDVSAMFLCAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145256
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O)CC	MCULE-1770183796	458.893	KJOCDYUSECDYCR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145257
Cc1nn(c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_35678916,MCULE-3669851165,PC-id_29344743,ZINC22_21157652	458.918	KMIABKUTROOHCE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145258
Clc1c(C(=O)NC2CCC(CC2)CNc2n[nH]c3c2CSC3)cc(cc1)C(F)(F)F	SCHEMBL1848529,PC-id_59186873	458.928	VKAFQIJNGWBJPF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145259
O=C(c1cc(ccc1Cl)C(F)(F)F)N[C@@H]1CC[C@H](CC1)CNc1n[nH]c2c1CSC2	SCHEMBL1848531	458.928	VKAFQIJNGWBJPF-AULYBMBSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145260
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc1	PC-id_44053724	458.936	KNUGAVJZXKNDQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145261
Clc1c(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cccc1	PC-id_44053649	458.936	XDDBHIGOXJXPGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145262
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)ccc(F)c1	PC-id_44053892	458.936	GAKNIHNPSCOPCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145263
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)c(F)ccc1	PC-id_44053838	458.936	JRZIFJLOHJFIJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145264
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)C(=O)NC)C)Cl	SCHEMBL20253004,PC-id_134599100	458.938	UAXKQQZXJCXGSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145265
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(Cl)s2)sc2c(CCC2)c1C#N	EMOLS-id_321809009,MCULE-2594126119	458.941	AOJBZBXPNJSJLE-UHFFFAOYSA-N	00000010100100101000000010000000000000000000000000000000	25-01-145266
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339499,MCULE-7970445578	458.958	MNNAYFFTXNHDKB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145267
c1(NC(=O)CCCOc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1101576596,EMOLS-id_334338731	458.958	GXHLZBDGLDTIFO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145268
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3774494967,EMOLS-id_334336420	458.958	VBSAVLPSYKCJIM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145269
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3590291716,EMOLS-id_334338218	458.958	VFCIFGWBORZSTG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145270
Clc1ccc(CNC2CCc3n(S(=O)(=O)c4ccc(cc4)C)c(cc23)C(=O)OC)cc1	PC-id_66874381,SCHEMBL1006267	458.958	NXRDCLHORUMWIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145271
n1(N)c(CCc2ccc(cc2)Cl)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	MCULE-8901359045,EMOLS-id_335802802	458.987	HWNPJZVEJGBAQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145272
n1(N)c(CCc2c(Cl)cccc2)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335802559,MCULE-7818488366	458.987	MCGMYOINSUABJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145273
Clc1ccc(cc1)C(=O)c1c(NC(=O)C2CCN(CC2)C(=O)C(C)C)sc2c1CCC2	PC-id_112818818	459.001	BDROENDFCUSORR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145274
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(CC)(C)C)CN(C2(C)C)C(=O)Cl	SCHEMBL19537474	459.003	DZONFRXXPLQTKJ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-145275
CC1(c2c(C(O1)(C)C)sc(=NC(=NC#N)c1c(ccc(c1)Cl)OC)n2CC1CCC1)C	SCHEMBL944733,PC-id_87179505	459.004	SDTRRDTVIHXCDL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145276
Clc1ccc(OCCN2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_36041797	459.004	IHZABURLQOZWSE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145277
N#C/N=C(/c1cc(Cl)ccc1OC)N=c
/sc2c(n1CC1CCC1)C(OC2(C)C)(C)C	SCHEMBL944730	459.004	SDTRRDTVIHXCDL-AQPNWFMJSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145278
N#CN=C(c1cc(Cl)ccc1OC)/N=c/1sc2c(n1CC1CCC1)C(OC2(C)C)(C)C	SCHEMBL944731	459.004	SDTRRDTVIHXCDL-WSUTWTEASA-N	00001010100000110001000010000000000000000000000000000000	25-01-145279
CNc1c(c2c(s1)CCC2)C(=NC1CCC(CC1)N(C)C(=O)Cc1cc(ccc1)Cl)N	PC-id_136422195	459.047	DFHUPBUOAJVTDM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145280
CNc1sc2c(c1C(=N)NC1CC[C@H](CC1)N(C(=O)Cc1cccc(c1)Cl)C)CCC2	SCHEMBL13644137	459.047	DFHUPBUOAJVTDM-WEBLMRDCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145281
COC1=CC=C(C=C1)CC2=C(N3[C@H](S2)/C(=CC4=CN5CCS(=O)(=O)C5=N4)/C3=O)C(=O)O	PC-id_154423264	459.056	GWUMDRXFMSSNIL-GIIHOQTISA-N	00001011100000110001001010000000000000000000000000000000	25-01-145282
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)C(=O)N[C@@H](C)C(F)(F)F	PC-id_155038435	459.097	UQTGDBTYYIRSIK-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-145283
CC1=C(N2CCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278676	459.099	ANXZGYZRSCLSNF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145284
n12nc(nc1sc(=Cc1cc(Br)cc(Br)c1OC(=O)C)c2=O)C	MCULE-4655918587	459.113	GPCQWJZYOBWETO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145285
C1CCC(C1)(CC(=O)CC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)Cl)CC(=O)O	PC-id_161269983	459.127	VDRJRKRWSOESPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145286
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)NCC4=CC=C(C=C4)Cl)C(=O)O	PC-id_161303047	459.127	VHWJYDAYZJOVHP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145287
CCCCCCCCC1(Br)[Se]c2c(C1Br)csc2	SCHEMBL2063947,PC-id_87330457	459.142	PGJFFAGBBVVGBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-145288
CC(C)(CCC1=CC=C(S1)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4)F	PC-id_164872296	459.145	FTGXUXNWMRHDTR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-145289
Brc1ccc(cc1)NC1=Cc2n(C1=Nc1ccc(cc1)Br)cc[n+]2C	PC-id_101389843	459.157	NZWSRCCLPNJWDT-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-145290
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=C[NH3+])NN)C(=O)Nc1c(cc(cc1)F)F	PC-id_163683483	459.195	JMUYUJIXADXEBD-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-145291
CC1=C(C=CC(=C1)NC(=O)C2=C(C(=C3N2CCC3)C(=O)C(=O)NC4(CC4)C5=CC=CC=C5)C)F	PC-id_148123093	459.196	JTOLONHINVLLHH-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-145292
CC1=C2CCC(C2=NN1)NC(=O)C3=CN(N=C3)CC4=C(N=C(C=C4)N5CC(C5)C(F)(F)F)C	PC-id_153404022	459.199	BOKABTJKJBCHCG-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-145293
CCCCCCCCN1C(=O)c2c(S1(=O)=O)c(sc2Br)Br	PC-id_102130068,SCHEMBL18317866	459.217	QYKBZWURGFUOFA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145294
CCCCC(CN1C(=O)c2c(S1(=O)=O)c(sc2Br)Br)CC	PC-id_102130069,SCHEMBL17130525	459.217	RETMMNRFYIAPJH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145295
c1(NC(=O)c2ccccc2I)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_16383056,MCULE-7384233492,CoCoCo_2666477,PC-id_3634266,ChEMBL-DNDi_CHEMBLF0541-0028	459.302	MLYJRWDULOIMGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145296
Brc1ccc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2ccccc2)cc1	PC-id_46872127	459.316	PFVFUPWQEPOCKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145297
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N)cc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1983779,PC-id_24945899	459.328	VTXRAGCPPLHEPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145298
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(N)ccc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24945898,SCHEMBL1986476	459.328	YYWWWHCDMLNPMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145299
CC1(C)N(Cc2c(Nc3nc(Cl)nc(Cl)n3)[nH]nc12)C(=O)NC1CC1c1ccccc1	BindingDB-id_218899,SCHEMBL3503667,PC-id_87234993,BindingDB_PC-id_87535824	459.332	HIJDDKBPFPKONO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145300
Clc1nc(Nc2n[nH]c3C(N(C(=O)NC4[C@H](C4)c4ccccc4)Cc23)(C)C)nc(Cl)n1	SCHEMBL12143688,PC-id_59474207	459.332	HIJDDKBPFPKONO-JTDNENJMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145301
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1nc(Cl)nc(n1)Cl)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL1368354	459.332	HIJDDKBPFPKONO-WCQYABFASA-N	00100010100000110001100010000000000000000000000000000000	25-01-145302
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1nc(Cl)nc(n1)Cl)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247457	459.332	HIJDDKBPFPKONO-YPMHNXCESA-N	00100010100000110001100010000000000000000000000000000000	25-01-145303
Brc1cc(c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1)C(=O)OC	CoCoCo_3532716,PC-id_17501215,EMOLS-id_16681812,MCULE-9188638086	459.335	PYWQXHJZVRGMLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145304
Clc1c(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)ccc(Cl)c1	PC-id_44052951	459.347	QTBORMUPJPUOHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145305
Brc1ccc(CC(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	EMOLS-id_334340012,MCULE-4508514835	459.356	MRPRDCYDQJGZTM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145306
Brc1ccc(o1)C(=O)Nc1sc2CCCc2c1C(=O)NCCc1ccccc1	EMOLS-id_334331311,MCULE-1389791230	459.356	QGQXIWSJTPGSFF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145307
Brc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1cccs1	PC-id_139982971	459.359	FFNYNLWKUPMMLM-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-145308
Brc1cccc(c1)C(=O)Nn1ncc2c1C(C)(C)N(C2)C(=O)Cc1cccs1	SCHEMBL2918512,PC-id_68440633	459.359	OZQQXRCCZOUAPR-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-145309
Brc1c(C(=O)Nn2ncc3c2C(N(C3)C(=O)Cc2sccc2)(C)C)cccc1	SCHEMBL2918514,PC-id_68440634	459.359	ZLPOTKVJUOGEPY-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-145310
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C(F)(F)F)OC)C(=O)Nc1cc(c(cc1)F)F	PC-id_134303031,SCHEMBL19920751	459.367	XLOMVHXBDOPESE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145311
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331561,MCULE-4439018902	459.388	DJNVGSNROJRPFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145312
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2864141402,EMOLS-id_334331298	459.388	ZOCUFTOGYKUGMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145313
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328238,MCULE-3611078866	459.388	GDJHXMZTHNJHAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145314
CN1CCN(CC1)c1c(cc(cc1)C(=O)Nc1nn(c2c1CN(C2)C(=O)O)C(=O)O)[N+](=O)[O-]	PC-id_91336340	459.413	WQFRDXIMABCWSC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145315
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(s1)c1noc(c1)C(F)(F)F	PC-id_89236838,SCHEMBL14055369	459.419	AKJHBLJZZQCGNV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-145316
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(F)c(F)c2)sc2CCCc2c1C#N	EMOLS-id_333649042,MCULE-7990214274	459.426	HBUYDEJMTWCOPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145317
CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL6010800,PC-id_69635345	459.452	CNEXDDMVYMUWCM-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145318
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2C[C@H](N(CC2)C(=O)O)CC)cc1)C	PC-id_69635351	459.452	FYLYLZQWRNLZEL-RBFZIWAESA-N	00000010100010110001000010000000000000000000000000000000	25-01-145319
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CCN(CC2)C(=O)OCC)cc1)C	PC-id_77712969	459.452	CNEXDDMVYMUWCM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145320
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CC(N(CC2)C(=O)O)CC)cc1)C	PC-id_77712973	459.452	FYLYLZQWRNLZEL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145321
CCOC(=O)c1c(NC(=O)c2ccc(cc2C(F)(F)F)F)sc2c1C(C)(C)OC2(C)C	SCHEMBL2162485,PC-id_24772743	459.454	KUACSHKDAJRUGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145322
CCOC(=O)c1c(NC(=O)c2cc(F)ccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	PC-id_24772746,SCHEMBL2163293	459.454	RFFYXGHFOSXYII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145323
CCOC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	PC-id_24772224,SCHEMBL2162130	459.454	DUYFRFRKOLYSIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145324
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(F)c(F)cc1	PC-id_16948059	459.466	IMIMRIDVXSPLGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145325
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(NC2CC2)cc1)C(=O)OC	PC-id_41252101	459.472	CJUIOIUJVMSNKC-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145326
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OCC(=O)N)c(OC)c1)C#N	PC-id_24523023	459.472	LWQLJSNCMAVQID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145327
c1(N(=O)=O)c(C)nn(Cc2c(C)onc2C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1C	EMOLS-id_4144494,MCULE-1183621779,PC-id_19589820,ZINC22_8782542	459.476	ZPESKPPPZPCRCH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145328
CC(Cn1nc2c(c1)CN(C2)C(=O)c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)C	PC-id_118479137,SCHEMBL17213982	459.482	MBSFKPPDADQVFR-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145329
Cc1ccc(cc1)C(NC(=O)c1c(nn2c1[N+](O)(CC2)Cc1cccc(c1)C)C(F)(F)F)C	PC-id_145296914	459.484	NQHPQLUZCYRNFB-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-145330
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CC)c1ccc(F)cc1)C(=O)OC	PC-id_16497090	459.491	JHNIXGPRJSIYOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145331
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(CC)c1ccc(F)cc1)C(=O)OC	PC-id_51447174	459.491	JHNIXGPRJSIYOA-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145332
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(CC)c1ccc(F)cc1)C(=O)OC	PC-id_51447175	459.491	JHNIXGPRJSIYOA-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145333
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-5935638444	459.492	CLMTVIBYEFGUTL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-145334
COc1ccc(cc1)CC1=C(C(=O)O)N2[C@H](S1)C(=Cc1cn3c(n1)S(=O)(=O)CC3)C2=O	SCHEMBL8888122,PC-id_67717419	459.495	GWUMDRXFMSSNIL-GOSISDBHSA-N	00001011100000110001001010000000000000000000000000000000	25-01-145335
COc1ccc(cc1)CC1=C(N2C(S1)C(=Cc1cn3CCS(=O)(=O)c3n1)C2=O)C(=O)O	PC-id_88380617	459.495	GWUMDRXFMSSNIL-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-145336
COc1ccc(cc1)COC(=O)C1=CS[C@H]2N1C(=O)/C/2=C/c1cn2c(n1)S(=O)(=O)CC2	SCHEMBL8888119,PC-id_67717415	459.495	ONSSFKQMWCHJDW-CQYSBYMNSA-N	00001011100000110001001010000000000000000000000000000000	25-01-145337
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(NC(=O)c2occc2)cc1)C(=O)N	PC-id_31219017	459.495	IWBHHVDETJRKIA-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-145338
S1(=O)(=O)CCn2c1nc(c2)C=C1C2SC=C(N2C1=O)C(=O)OCc1ccc(OC)cc1	PC-id_76108150	459.495	ONSSFKQMWCHJDW-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-145339
S1(=O)(=O)CCn2c1nc(c2)C=C1[C@H]2SC=C(N2C1=O)C(=O)OCc1ccc(OC)cc1	PC-id_54159991	459.495	ONSSFKQMWCHJDW-GOSISDBHSA-N	00001011100000110001001010000000000000000000000000000000	25-01-145340
O1C(Cn2c1nc([N+](=O)[O-])c2)COc1ccc(CN2CCN(CC2)C(=O)OC(C)(C)C)cc1	SCHEMBL3466776,PC-id_68653804	459.496	MGQUNJGURVHYBR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145341
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2C[C@H](N(CC2)C(=O)O)C(C)(C)C)cc1)C	PC-id_69635190	459.496	YKOMEHHTMXZNCQ-LBOXEOMUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145342
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)OC(C)(C)C)cc1)C	PC-id_67274388,SCHEMBL2089496	459.496	DFIMJAFSYQMVHE-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145343
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CC(N(CC2)C(=O)O)C(C)(C)C)cc1)C	PC-id_69635184	459.496	YKOMEHHTMXZNCQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145344
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)OC(C)(C)C)cc1)C	SCHEMBL2089499,PC-id_23081090	459.496	DFIMJAFSYQMVHE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145345
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2C[C@H](N(CC2)C(=O)O)C(C)(C)C)ccc1)C	PC-id_69635375	459.496	QUVPAZXRCNCTAG-LBOXEOMUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145346
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2CC(N(CC2)C(=O)O)C(C)(C)C)ccc1)C	PC-id_69635369	459.496	QUVPAZXRCNCTAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145347
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2CCN(CC2)C(=O)OC(C)(C)C)ccc1)C	PC-id_77712981	459.496	LFKBFHLWUDNTNL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145348
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1cc(N2CCN(CC2)C(=O)OC(C)(C)C)ccc1)C	SCHEMBL6010817,PC-id_69635366	459.496	LFKBFHLWUDNTNL-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145349
O=C(NCc1nc(oc1C)c1cc(NC(=O)c2c(oc(c2)C)C)ccc1)c1n[nH]c2CCCc12	PC-id_42164802	459.497	FHADDCUOMHOKSM-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-145350
s1c2CCCc2cc1C(=O)OC(C(=O)c1c(n(c(c1)C)c1ccc(OC(F)F)cc1)C)C	PC-id_3493311	459.506	LLLCOEHATHDCMV-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-145351
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC(F)(C)C)S(=O)(=O)C	SCHEMBL17214026,PC-id_118479179	459.509	BQJRMHLRLCYGHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145352
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OCC)C(=O)OC	PC-id_73549262,MCULE-7793442385	459.512	BLYRCXRVNKADKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145353
C/C=Cc1ccc(c(c1)OC)OCC(=O)OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	CoCoCo_3141781	459.512	UTHHHLBVVUMJJA-XQRVVYSFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145354
CC=Cc1ccc(c(c1)OC)OCC(=O)OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_26053862,PC-id_3903711,MCULE-6241361565	459.512	UTHHHLBVVUMJJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145355
C/C=C/c1ccc(OCC(=O)OCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c(OC)c1	CoCoCo_3141780,ZINC22_12566743,PC-id_5952650	459.512	UTHHHLBVVUMJJA-GQCTYLIASA-N	00000010100000110000000010000000000000000000000000000000	25-01-145356
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCC2OCCC2)cc1)C(=O)OC	PC-id_24379041	459.512	BMXRVKUUIAKNAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145357
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_45679997	459.512	BAJVNQPKGYTYEA-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145358
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_77670991	459.512	BAJVNQPKGYTYEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145359
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OCC)cc1)C(=O)OC	PC-id_41120896	459.512	JDLAZWDMDUTWCP-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145360
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OCC)cc1)C(=O)OC	PC-id_74747889	459.512	JDLAZWDMDUTWCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145361
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_45678799	459.512	NSWMZHLEGUQKJA-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145362
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_77670889	459.512	NSWMZHLEGUQKJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145363
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)cc(OC)cc1)C(=O)OCC	PC-id_35722210	459.512	SYFYGSFMLFXTDH-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145364
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)cc(OC)cc1)C(=O)OCC	PC-id_74643492	459.512	SYFYGSFMLFXTDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145365
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)c(OC)ccc1)C(=O)OCC	PC-id_45703068	459.512	LQABDXVHVXQFPV-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145366
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)c(OC)ccc1)C(=O)OCC	PC-id_77673052	459.512	LQABDXVHVXQFPV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145367
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(OCC)cc1)C(=O)OC	PC-id_45625990	459.512	HFTMAPPWRXXFGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145368
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1ccc(C(=O)CC)cc1)C(=O)OCC	PC-id_24359605	459.512	AKBGABKZRUHJEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145369
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OC)c(OCC)cc1)C(=O)OC	PC-id_19166164	459.512	BLYRCXRVNKADKL-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145370
c1(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)N	ZINC22_15822842,MCULE-2559088793,CoCoCo_2590305,EMOLS-id_16349191,ChEMBL-DNDi_CHEMBLF2618-0590,PC-id_22582897	459.514	AJFXMKNNFKMDFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145371
CN(CC(c1cccc(c1)F)OC(=O)N1Cc2c(C1(C)C)n[nH]c2NC(=O)C1CCCO1)C	SCHEMBL1204690,PC-id_58015724	459.514	WGYGFSXPOFFGIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145372
CN(CC(c1cccc(c1)F)OC(=O)N1Cc2c(C1(C)C)n[nH]c2NC(=O)[C@@H]1CCCO1)C	PC-id_58015720,SCHEMBL1204687	459.514	WGYGFSXPOFFGIW-ZENAZSQFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145373
CN(CC(c1cccc(c1)F)OC(=O)N1Cc2c(C1(C)C)n[nH]c2NC(=O)[C@H]1CCCO1)C	SCHEMBL1205960,PC-id_66941662	459.514	WGYGFSXPOFFGIW-QNSVNVJESA-N	00000010100000110001000010000000000000000000000000000000	25-01-145374
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	PC-id_27684840	459.514	DKBACUMZRNMWCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145375
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2c(F)cccc2)cc1	PC-id_24414318	459.514	GWNVYGMYDBMBGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145376
c1(NC(=O)C(=O)NN=C(C)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-4774840905,PC-id_4237705	459.515	JVVJCHZSKTXOAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145377
CC(c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@](C)(C(=O)NO)S(=O)(=O)C)O	PC-id_135358984,SCHEMBL20536637	459.515	NKDWHUXTIARHKG-ZZAPORBBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145378
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC12CC(C1)(C2)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20536760,PC-id_135359041	459.515	HDBCEIVBSVMVEI-ITAUSPCMSA-N	00001010100000000001001010000000000000000000000000000000	25-01-145379
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC12CC(C1)(C2)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20536761,PC-id_135359042	459.515	HDBCEIVBSVMVEI-UHFFFAOYSA-N	00001010100000000001001010000000000000000000000000000000	25-01-145380
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1COC1)(C(=O)O)S(=O)(=O)C	PC-id_135365420	459.515	XRRJPYCPSZIPGJ-JOCHJYFZSA-N	00001010100000000001100010000000000000000000000000000000	25-01-145381
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1COC1)(C(=O)O)S(=O)(=O)C	PC-id_135365422	459.515	XRRJPYCPSZIPGJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-145382
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)OCc1ccccc1	PC-id_89237359,SCHEMBL14055958	459.515	NFHIGYDVZWHGAN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145383
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)N(C(=O)C1CCOCC1)C	SCHEMBL14058065,PC-id_89239099	459.515	INBQOTOBXUSCJU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145384
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_9654326,STOCK4S-78588,EMOLS-id_26350210	459.515	JVVJCHZSKTXOAA-WYMPLXKRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145385
O=C(c1nc(sc1N)c1c(F)cccc1F)Nc1cnn2c1N(CC2)CC1CCNCC1	SCHEMBL2524658,PC-id_58464894	459.515	NEBJMPVAVRJCOI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145386
OCCc1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18730010,PC-id_118368775	459.515	IAXUEXSYXBBCIS-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145387
OCCc1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18730011	459.515	IAXUEXSYXBBCIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145388
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)[C@@H](O)C)C	SCHEMBL18729891	459.515	NKDWHUXTIARHKG-OYHNWAKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145389
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)[C@@H](O)C)C	SCHEMBL18729892	459.515	NKDWHUXTIARHKG-UEDXYCIISA-N	00000010100000110001000010000000000000000000000000000000	25-01-145390
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)[C@H](O)C)C	SCHEMBL18730006	459.515	NKDWHUXTIARHKG-IVZQSRNASA-N	00000010100000110001000010000000000000000000000000000000	25-01-145391
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)[C@H](O)C)C	SCHEMBL18730008	459.515	NKDWHUXTIARHKG-JGHKVMFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145392
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1c(oc(c1)C)C)C)C(=O)OCC	PC-id_56337975	459.515	OBWCNVJMMRLDRO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145393
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1)C(=O)N	PC-id_27804030	459.515	BZONDEUAYGECLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145394
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc([N+](=O)[O-])c(C(C)(C)C)cc1)C)C(=O)N	PC-id_24499129	459.515	ORLHRJMGDJIGMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145395
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OC(C)C)cc1)C(=O)N	PC-id_45620758	459.515	PKUJBDFBJSTLJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145396
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(c1cc(OC)c(OC)cc1)/C)C(=O)OCC	PC-id_6045021	459.515	JVVJCHZSKTXOAA-MSXFZWOLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145397
Fc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)N1[C@H](CN([C@@H](C1)C)CCO)C)(C)C	PC-id_59508354,BindingDB_PC-id_59508354,SCHEMBL598334	459.517	ISEJAHGHILRCNW-KGLIPLIRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-145398
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1C=[N+](C2)C(=O)[C@@H](c1ccccc1)O	PC-id_49866522	459.52	FCLFBDYOCRVSHV-JOCHJYFZSA-O	00000011100010110001100010000000000000000000000000000000	25-01-145399
S1Cc2c(nn(c2NC(=O)c2noc(c2)c2ccccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053462	459.52	UJMDELZWABBLAF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145400
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-8903604978,PC-id_24223865	459.535	WRJQRIWIRYTFIB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145401
Cc1cccc(c1)C(=O)c1cc(ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C#N	EMOLS-id_328220537,MCULE-8883124832	459.538	YGNKUTITUNLXJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145402
c1(NC(=O)CSc2nnc(c3ccc(OC)cc3)o2)sc2c(CCC2)c1C(=O)OCC	PC-id_1784115,EMOLS-id_2224630,MCULE-8151686055,CoCoCo_956513,TOSLab_17089,ZINC22_2129162,STOCK3S-89749,SPECS-id_AF-399/41945535	459.539	KXCWCCOZLJZROM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145403
c1(NC(=O)CSc2nnc(COc3ccccc3)o2)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AF-399/42878204,MCULE-3268849347,PC-id_1741758,ZINC22_2082590,CoCoCo_6270118,EMOLS-id_8210591	459.539	XLMDZPUMJZXFMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145404
c1(NC(=O)CS(=O)CC(=O)Nc2ccccc2C(=O)OCC)sc2c(CCC2)c1C#N	MCULE-1815346169,EMOLS-id_320636653	459.539	MQPLOJACAXTFBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145405
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)C(=O)OCC)sc2c(CCC2)c1C#N	MCULE-4260810902,EMOLS-id_320691790	459.539	BEFZXGBEOHVLJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145406
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC22_13100515,CoCoCo_2884082,PC-id_16283642	459.539	ZGSYZAKNNPKMIX-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145407
N#Cc1c(NC(=O)COC(=O)CNS(=O)(=O)/C=Cc2ccc(cc2)C)sc2c1CCC2	CoCoCo_2884083	459.539	ZGSYZAKNNPKMIX-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145408
N#Cc1c(NC(=O)COC(=O)CNS(=O)(=O)C=Cc2ccc(cc2)C)sc2c1CCC2	EMOLS-id_26034536,PC-id_72099443,MCULE-3158161408	459.539	ZGSYZAKNNPKMIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145409
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2occc2)C)cc1)C(=O)N	PC-id_43947505	459.539	ABUZSVCHRUZWBG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145410
s1c2c(CCC2)c(c1NC(=O)C[NH+](CCC)Cc1oc(nn1)c1occc1)C(=O)OCC	PC-id_25518580	459.539	SQPUGHMDNPKPDY-UHFFFAOYSA-O	00000010101000000001100010000000000000000000000000000000	25-01-145411
s1c2CCCc2c(c1NC(=O)COC(=O)CCNC(=O)CCC(=O)c1sccc1)C#N	PC-id_24522656	459.539	MUUYKNUTWHCBSY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145412
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(OCC)cc1)C(=O)OC	PC-id_4140874	459.539	GDGAWNOXONYBKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145413
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)ccc1)C(=O)OCC	PC-id_4569471	459.539	DTQDJGFVHZAFDY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145414
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)cccc1)C(=O)OCC	PC-id_5104870	459.539	YMUNWNPPHWTYBR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145415
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16527393	459.539	DKZGNMFZHWHYDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145416
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)NC(=O)Cc1ccc(cc1)OC)C	PC-id_89800813,SCHEMBL15252484	459.54	WJDRKMZFMZIICS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145417
COc1ccc(cc1)CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_58015578,SCHEMBL12879416	459.54	WJDRKMZFMZIICS-PZJWPPBQSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145418
COC(C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCCCC1)c1ccccc1	SCHEMBL9998664,PC-id_21874029	459.54	UALDPXIJMSKZPM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145419
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCCCC1)c1ccccc1	SCHEMBL1377925,PC-id_11236507	459.54	UALDPXIJMSKZPM-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145420
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(Sc2c(cccc2)C#N)cccc1)C#N	PC-id_16529553	459.54	SIMDYEHKJZVTAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145421
COC(=O)c1c(NC(=O)CCSc2nnc(n2N)c2ccccc2O)sc2c1CCC2	PC-id_135927175,MCULE-3471675009	459.542	SPMLNBAFEWXULM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145422
NC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCC2	PC-id_17334657,ZINC22_57316622	459.542	HPJVYWRIVITINL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-145423
s1c2c(CCC2)c(c1NC(=O)CCSC1=NN/C(=C/2C(=O)C=CC=C2)/N1N)C(=O)OC	PC-id_17047379	459.542	BEQPPOCFECCVKF-GZTJUZNOSA-N	00000011100011000001100010000000000000000000000000000000	25-01-145424
s1c2c(CCC2)c(c1NC(=O)CCSC1=NNC(=C2C(=O)C=CC=C2)N1N)C(=O)OC	PC-id_28748685	459.542	BEQPPOCFECCVKF-UHFFFAOYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-145425
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1c(OC)cccc1)C(=O)OC	PC-id_45648217	459.542	HWEBLUBTGYDORX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145426
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(OC)cc1)C(=O)OCC	PC-id_2617685	459.542	BGARKNYXHHSPPB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145427
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(OC)cccc1)C(=O)OCC	PC-id_16535948	459.542	OACYLBAKXZEDQJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145428
O=C(c1ccnc(n2cccn2)c1)N1CCCC[C@@H](C2CN(C(=O)[C@H]3CCc4c[nH]nc34)C2)C1	ZINC22_1875359887	459.543	SIWNWNZLQKGZPW-CTNGQTDRSA-N	00001010100000101101100010000000000000000000000000000000	25-01-145429
O=C(c1ccnc(n2cccn2)c1)N1CCCC[C@H](C2CN(C(=O)[C@H]3CCc4c[nH]nc34)C2)C1	ZINC22_1875359888	459.543	SIWNWNZLQKGZPW-FPOVZHCZSA-N	00001010100000101101100010000000000000000000000000000000	25-01-145430
O=C(c1ccnc(n2cccn2)c1)N1CCCC[C@H](C2CN(C(=O)[C@@H]3CCc4c[nH]nc34)C2)C1	ZINC22_1875359889	459.543	SIWNWNZLQKGZPW-PZJWPPBQSA-N	00001010100000101101100010000000000000000000000000000000	25-01-145431
O=C(c1ccnc(n2cccn2)c1)N1CCCC[C@@H](C2CN(C(=O)[C@@H]3CCc4c[nH]nc34)C2)C1	ZINC22_1875359890	459.543	SIWNWNZLQKGZPW-TZIWHRDSSA-N	00001010100000101101100010000000000000000000000000000000	25-01-145432
s1nc(SC)nc1N/N=C
/C(=Nn2nc(nc12)C(CN1C(=O)C=CC1=O)C)C(C)(C)C	PC-id_59913529	459.548	MDDCEBJKDWSQLV-MTJSOVHGSA-N	00000011100000000001000010000000000000000000000000000000	25-01-145433
s1nc(SC)nc1NN=C1C(=Nn2nc(nc12)C(CN1C(=O)C=CC1=O)C)C(C)(C)C	PC-id_72594698	459.548	MDDCEBJKDWSQLV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-145434
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1)C(C)C)C(=O)OC	MCULE-3341383569,PC-id_19207344	459.555	PSSSQMHOZJYFIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145435
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1)CCC)C(=O)OC	PC-id_19191394,MCULE-4945919701	459.555	WLVYBLGJDQDAKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145436
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(C)Oc1ccc(cc1)C(C)(C)C)C(=O)OC	PC-id_19203462,MCULE-2637959854	459.555	JAWLKHUWLAMHEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145437
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1C(C)(C)C)C)C(=O)OC	PC-id_19171162,MCULE-1021266291	459.555	RRCZWLPHJQEELL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145438
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(C(C)C)ccc(c1)C)C(=O)OCC	PC-id_3899788	459.555	WWUQRNNPJOQZAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145439
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)C	PC-id_41235772,GD-id_ZINC09833514	459.557	RZARSXDCIUXNEL-CYBMUJFWSA-O	00000010100010110001100010000000000000000000000000000000	25-01-145440
Fc1ccc(cc1)C(=O)N[C@@H]1CC[N@H+](CC1)[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC27441066	459.557	GCZOUWJQFNWBLA-ZDUSSCGKSA-O	00000010100010110000000010000000000000000000000000000000	25-01-145441
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1c(F)cc(cc1)C(=O)C)C)C(=O)N	PC-id_41235770	459.557	RZARSXDCIUXNEL-ZDUSSCGKSA-O	00000010100010110001100010000000000000000000000000000000	25-01-145442
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1c(F)cc(cc1)C(=O)C)C)C(=O)N	PC-id_74754352	459.557	RZARSXDCIUXNEL-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-145443
c1(c2CCCc2sc1NC(=O)CNCC1CCCO1)C(=O)Nc1ccc(cc1OC)OC	MCULE-2181096271,EMOLS-id_2428535,PC-id_2923110	459.558	ANOOINPYYXSEHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145444
c1(NC(=O)NN=Cc2ccc(c(OC)c2)OCCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-2508957669,PC-id_19169871	459.558	GXQOEIWBCSJOLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145445
C=CCS(=O)c1cc2n(c1C(=O)c1ccsc1)C(CC2C(=O)O)C(=O)c1cccs1	SCHEMBL10928809,PC-id_70475323	459.558	APUBRCSFXUDKKM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145446
C=CCS(=O)c1cn2c(c1)C(CC2)(C(=O)O)C(=O)c1csc(c1)C(=O)c1ccsc1	PC-id_70475325,SCHEMBL10928813	459.558	PERPSSHYBOXWQP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145447
C=CCS(=O)c1sccc1C(=O)c1cc2n(c1C(=O)c1ccsc1)CCC2C(=O)O	PC-id_70475322,SCHEMBL10928802	459.558	DICKIOIJUKMFPZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145448
CCOC(=O)c1c(NC(=O)CN(CC)CC(=O)Nc2ccccc2OC)sc2c1CCC2	MCULE-6834372277,CoCoCo_3581602,ZINC22_16588317,EMOLS-id_24977763,CoCoCo_3581603,PC-id_27219613	459.558	OIRBUOIUKSDGOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145449
COc1ccc(NC(=O)c2c(NC(=O)CNC[C@@H]3CCCO3)sc3c2CCC3)c(OC)c1	CoCoCo_867278,ZINC22_15919365,PC-id_1050768	459.558	ANOOINPYYXSEHE-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145450
COc1ccc(NC(=O)c2c(NC(=O)CNC[C@H]3CCCO3)sc3c2CCC3)c(OC)c1	PC-id_1050767,CoCoCo_867279,ZINC22_15919366	459.558	ANOOINPYYXSEHE-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145451
s1c2c(CCC2)c(c1NC(=O)CNc1c(OCC(=O)N(C)C)cc(cc1)C)C(=O)OCC	PC-id_56099569	459.558	XKGHEFCZJQXOEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145452
c1(NC(=O)COc2cccc(c2)NC(=O)CCc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_323206253,MCULE-3879733941	459.56	YWCWINYNOQEWTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145453
CCOc1ccc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC)F	PC-id_59333992,SCHEMBL7015997	459.56	LFBIVGMGSSDSAY-CABCVRRESA-N	00000010100010101001000010000000000000000000000000000000	25-01-145454
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(C(C2)C)CC)C)(C)C)nc(OCC)cc1	PC-id_72257759	459.56	LFBIVGMGSSDSAY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-145455
c1(NC(=O)COc2nonc2CC(=O)N(CCCC)CCCC)sc2CCCc2c1C#N	EMOLS-id_333689128,MCULE-6491461561	459.562	CKZJZDWIZGHARS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145456
c1(NC(=O)COc2nonc2CC(=O)NCCCCCCCC)sc2CCCc2c1C#N	MCULE-3997595979,EMOLS-id_333687120	459.562	URODFQGWUJINMX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145457
C[C@H]1CN(C(C1)(C)CNC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)N(C)C)C	SCHEMBL19200996	459.563	BWKHEPCJIYODQA-BXWDTWGJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-145458
C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(ncc3F)N(C)C)n[nH]c2C1(C)C	BindingDB-id_546029,PC-id_25156020,BindingDB_PC-id_25156020,SCHEMBL2876150	459.563	QECHNSUNXZVJGC-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145459
CCNc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NCC1(C)C[C@H](CN1C)C)F	SCHEMBL19201033	459.563	YNQIXEGJAWRZSB-BXWDTWGJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-145460
CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1	PC-id_24875368,SCHEMBL3322883,BindingDB-id_546028,BindingDB_PC-id_24875368	459.563	DOIUTSAXPOMBSB-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145461
Fc1c(Nc2n[nH]c3C(N(C(=O)N4CC(N(CC4C)C)(C)C)Cc23)(C)C)nc(nc1)NCC	PC-id_74341326	459.563	DOIUTSAXPOMBSB-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145462
N#Cc1ccccc1NC(=O)C1(NNc2c1ccs2)NC(=O)Cc1ccc(cc1)C(C)(C)C	PC-id_68465378,SCHEMBL2981501	459.563	CTAFHHSGUNXHJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145463
CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328217208,MCULE-5541563879	459.58	ZSTUYXYOGSSMKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145464
COC1=CC(=N/C/1=C/c1n(Cc2ccccc2)cc2c1CCC2)c1cccn1Cc1ccccc1	SCHEMBL13922075,PC-id_59896556	459.581	MKLNVHJSERLBHC-MTDXEUNCSA-N	00000011110000110000100010000000000000000000000000000000	25-01-145465
O(C1=CC(=NC1=Cc1n(cc2c1CCC2)Cc1ccccc1)c1n(Cc2ccccc2)ccc1)C	PC-id_72590640	459.581	MKLNVHJSERLBHC-UHFFFAOYSA-N	00000011110000110000100010000000000000000000000000000000	25-01-145466
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC=C)CC=C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_32854356,MCULE-9489135084,PC-id_29717871,ZINC22_21715939	459.582	WSIWRNZKWYHDSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145467
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCC(CC2)C)sc2CCCc2c1C#N	MCULE-3254157632,EMOLS-id_333772370	459.582	IOIZLMWZAKNTTJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145468
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCC(C)C2)sc2CCCc2c1C#N	EMOLS-id_333771091,MCULE-7117556298	459.582	LXXZDRNKJMXSDU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145469
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCCCC2)sc2CCCc2c1C#N	MCULE-2155606918,EMOLS-id_333771859	459.582	KIRLCCRXLSITNY-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-145470
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCCC1	SCHEMBL14055462,PC-id_89236921	459.582	YVTMLARWLDILFA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145471
C=CC(=O)NC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	PC-id_89239186	459.582	ZBYAHOHCZBWYDG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145472
C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	PC-id_89237679,SCHEMBL14056320	459.582	JMXHMXGVOBSENA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145473
C=CC(=O)N[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1sc2c(c1)CCC2	SCHEMBL14058208	459.582	ZBYAHOHCZBWYDG-KRWDZBQOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145474
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CCOc1ccc(OC)cc1)C(=O)N	PC-id_51625766	459.582	CGUJDHQMLNRPCO-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-145475
s1c2CCC(C(=O)N3CCN(CC3)CCc3ccccc3)c2nc1NC(=O)c1ccccc1	PC-id_16947160	460.591	BQGXBFAMKPZOPM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145772
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_51628985	459.582	ORFQGUZPVMPBRC-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-145476
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_51625098	459.582	PVZOTQNEPCBEON-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-145477
s1c2c(CCC2)c(c1NC(=O)CSc1ncc(C(=O)N2CCCC2)cc1)C(=O)OCC	PC-id_55537623	459.582	JPVANJBDGQNCAJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145478
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCc2c1)/C=C/c1ccccc1	PC-id_26872617	459.582	VCJBONCKXRTNMZ-SDNWHVSQSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145479
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCc2c1)C=Cc1ccccc1	PC-id_74511975	459.582	VCJBONCKXRTNMZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145480
CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C1	BindingDB_PC-id_11167062,CHEMBL191402,PC-id_11167062,BindingDB-id_21832	459.583	UCRPVICLPLVRAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145481
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC)C(=O)OC	PC-id_17303705	459.585	XYJFEMJSJVCABL-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-145482
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)C)C(=O)OCC	PC-id_20127172	459.585	MCOVQXLLQZWMLM-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-145483
c1(C2CC(=O)N(C(C)(C)C)C2)nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-9327095895,EMOLS-id_335744971	459.588	SDHWJJJRBUGSAO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-145484
c1(NC(=O)CCc2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_19236939,MCULE-4509231718	459.598	AYVZMUOAIPIMFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145485
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C(=O)NC(C(C)C)(C)C#N)C	PC-id_45663363	459.602	VPBZXVAZGVJZGV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145486
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CCC1)Cc1ccc(OC)cc1)C(=O)OC	PC-id_49828813	459.602	CAWIGWOEWXDTQQ-UHFFFAOYSA-P	00000010100000110101000010000000000000000000000000000000	25-01-145487
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1cc(OCC)c(OCC)c(OCC)c1	PC-id_44060369	459.602	XGXFJKANLRYMBY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145488
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N(CC(C)C)CC(C)C	PC-id_16947970	459.602	KLEOZOYFSWOPDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145489
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCCCCCCC	PC-id_16948096	459.602	SUUFIFPARRRDEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145490
c1(c2CCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCN(CC1)Cc1ccccc1	EMOLS-id_8599075,SCHEMBL8290380,PC-id_3783803,CoCoCo_1731293,MCULE-2468205822,ZINC22_20058016	459.603	SSBJRDQYNSSSMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145491
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)Cc1ccccc1	TIMTEC100290,EMOLS-id_6768056,PC-id_4567974,MCULE-6547911678,CoCoCo_6391980,ZINC22_19830924,SPECS-id_AG-205/37267033	459.603	CJMAMLQZXFUDCE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145492
c1(c2CCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCN(CC1)Cc1ccccc1	PC-id_1037560,TIMTEC70359,EMOLS-id_2375423,SCHEMBL8289670,MCULE-3901526314,CoCoCo_706559,ZINC22_19774321,ChEMBL-DNDi_CHEMBL3261-0341	459.603	BCGLCECNVJYMAR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145493
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_73468645,MCULE-7512939149	459.603	OOTYRDGPRZVJDK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145494
CC(C)(C)c1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc(c1O)C(C)(C)C	EMOLS-id_206989983,STOCK4S-52635,ZINC22_9282124	459.603	XXXCNTNRJPRIJD-ZUZQRIQNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145495
n12nc(nc1sc(=Cc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)c2=O)C=Cc1ccccc1	MCULE-3758348970	459.603	XXXCNTNRJPRIJD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145496
s1c2c(CCC2)c(c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1	PC-id_18883982	459.603	OOTYRDGPRZVJDK-SDNWHVSQSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145497
s1c2c(nc1NC(=O)c1ccc(cc1)C)C(C(=O)N1CCC(CC1)Cc1ccccc1)CC2	PC-id_16947503	459.603	CYEIXXIAEAYAQV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145498
CC1(c2c(CN1C(=O)Nc1ccc(cc1)OC)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348498,PC-id_135195373	459.605	UEGIKHIYCCRAAP-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145499
CC1(c2c(CN1C(=O)Nc1ccccc1OC)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348601,PC-id_135195469	459.605	DHKLCPQHSCUVGT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145500
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C	SCHEMBL19312117	459.605	UGPQXRAFHMKJTD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-145501
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C	SCHEMBL19537394	459.605	UGPQXRAFHMKJTD-QGZVFWFLSA-N	00100010100000110001000010000000000000000000000000000000	25-01-145502
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C(Oc1cccnc1)C	SCHEMBL19537144	459.605	AHRQYHHGWCFJJB-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-145503
Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)s2)c1C	EMOLS-id_3453331,ZINC22_9632075,PC-id_3406170,CoCoCo_2981475,MCULE-8897821410	459.608	PSHITNFTPLCFRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145504
Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)s2)cc1C	CoCoCo_2984712,EMOLS-id_3289730,ZINC22_3365533,MCULE-3988688246,PC-id_2483266	459.608	LMVWXGPEPSJTMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145505
Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)s2)c(C)c1	PC-id_2082160,ZINC22_2620300,EMOLS-id_3248493,MCULE-2019935254,CoCoCo_3076156	459.608	ZBBHLDRRSJIDKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145506
CCc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)s2)cc1	MCULE-6994132997,PC-id_2477924,EMOLS-id_3285909,CoCoCo_3142268,ZINC22_3360407	459.608	MMQPTMJGPOTLAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145507
NC(=O)c1c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)sc2c1CCC2	ZINC22_9781449,EMOLS-id_11769311,MCULE-7892941669,CoCoCo_3976554,PC-id_16331581	459.608	CJMOEKCVRFFPGV-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-145508
S(=O)(=O)(Nc1c(NN=C2C(=Nn3nc(nc23)C(C)C)C(C)(C)C)cc(C(C)(C)C)cc1)C	PC-id_59247758	459.608	YGFKBNZBFOVGNI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-145509
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCCC)CCCC)sc2c(CCC2)c1C#N	EMOLS-id_4950579,ZINC22_9445365,PC-id_4461554,MCULE-4581278152,CoCoCo_5025989	459.625	RDZXEANGQNRNSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145510
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_5430315,ZINC22_9368062,CoCoCo_4975613,PC-id_3584634,MCULE-2327899867	459.625	JITKERBEFOKINJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145511
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCC)sc2CCCc2c1C#N	EMOLS-id_331784637,MCULE-8891597059	459.625	SYHCVNDBVPHAAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145512
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331786685,MCULE-7436281789	459.625	AWNRRZKWTGGERN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145513
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCC(C)C)sc2CCCc2c1C#N	MCULE-2313658461,EMOLS-id_331791026	459.625	CPZXXZBLSLLWGM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145514
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCCC)sc2CCCc2c1C#N	MCULE-7143458903,EMOLS-id_331792311	459.625	DBEJRYMJMFMOET-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145515
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCC)sc2CCCc2c1C#N	MCULE-9777386521,EMOLS-id_331788222	459.625	HKOOLWWEHXZLQF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145516
CCc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C([Si](C)(C)C)(C)C)F	PC-id_140882927	459.632	QBYWTKRBVXWFHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145517
CCOC(=O)c1nn2c(n1)C(CC2C(O[Si](C(C)(C)C)(C)C)CC)OCc1ccccc1	PC-id_141651194	459.654	XXWQWPNHMZJTDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145518
C[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12)C(F)(F)F	PC-id_134285035,SCHEMBL19900715,BindingDB-id_799308	459.822	NSMMYNCJPLCFSN-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145519
CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12)C(F)(F)F	PC-id_134285037,SCHEMBL19900718,BindingDB-id_799307	459.822	NSMMYNCJPLCFSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145520
Clc1c(c2noc(c2C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)C)c(F)ccc1	PC-id_16529308	459.878	IWNIXGHOEMBSBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145521
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1c(ccc(c1)Cl)F	PC-id_134302791,SCHEMBL19920502	459.901	YGBMLKUGERABJF-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145522
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1cc(cc(c1)Cl)F	PC-id_134303110,SCHEMBL19920836	459.901	MVFXCPGNCNMOHH-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145523
N/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1cccc(c1F)Cl)N	PC-id_142295177	459.901	FEABLARHLZPYLP-GDNBJRDFSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145524
CCOC(=O)c1c2CCCc2sc1NC(=O)c1nn(c2ccc(Cl)cc2)c(=O)cc1O	MCULE-5127397154,EMOLS-id_328263078	459.903	PAMRXPFVPZVYBP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145525
Clc1c(c2noc(c2C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_2124460	459.903	GRGBNXZKGOTJOW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145526
COc1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc(OC)c1OC	EMOLS-id_324882950	459.903	REYVOBVEIXNDOK-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145527
COc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324845306	459.903	KOKXDRXYXIRYBV-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145528
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1ccccc1Cl	MCULE-9647462851	459.903	REYVOBVEIXNDOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145529
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1ccc(Cl)cc1	MCULE-9806788381	459.903	KOKXDRXYXIRYBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145530
Clc1ccc(CNc2nc(Nc3sc4c(CCC4)c3C(=O)N)c([N+](=O)[O-])c(n2)N)cc1	PC-id_52127534	459.909	JJPAUVSPQSORBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145531
Clc1c(CNc2nc(Nc3sc4c(CCC4)c3C(=O)N)c([N+](=O)[O-])c(n2)N)cccc1	PC-id_52127527	459.909	FWKIDKUHSWATQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145532
CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4954230,EMOLS-id_44139587,PC-id_2107063,MCULE-2282272949,ZINC22_2644151	459.913	ZZZQAOQSARWQPK-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145533
CC([C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)Nc1ccc(cc1Cl)C(F)(F)F)C	PC-id_2107064,CoCoCo_4954231	459.913	ZZZQAOQSARWQPK-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145534
Clc1c(NC(C(C)C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(c1)C(F)(F)F	PC-id_3966091	459.913	ZZZQAOQSARWQPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145535
COc1ccccc1OCc1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324869646	459.929	JPILTWVQOYWNIC-AUWJEWJLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-145536
COc1cccc(OCc2nc3s/c(=Cc4c(Cl)nc5scc(C)n45)/c(=O)n3n2)c1	EMOLS-id_324875777	459.929	OWYWBFDYOBFCNJ-AUWJEWJLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-145537
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1ccccc1OC	MCULE-9671513861	459.929	JPILTWVQOYWNIC-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-145538
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1cccc(OC)c1	MCULE-4190342913	459.929	OWYWBFDYOBFCNJ-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-145539
CCCC1(CCC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_142295143	459.941	HLGAKUOOAVIFME-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-145540
c1(c2CCCc2sc1NC(=O)CNCc1ccco1)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_6723796,ZINC22_15946678,PC-id_4350585,MCULE-6661793796,EMOLS-id_2785188,TIMTEC286449	459.946	LJCSJPMAJDXOKF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145541
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_2977388,ZINC22_8882810,PC-id_40855834	459.946	SRFOCEJVXTXVPH-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-145542
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_8882814,PC-id_40855836,CoCoCo_2977389	459.946	SRFOCEJVXTXVPH-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145543
Clc1c(C(=O)NC(C(C)C)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	MCULE-1057149305,EMOLS-id_43741292,PC-id_16275466	459.946	SRFOCEJVXTXVPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145544
n12nc(nc1sc(=Cc1cc(Cl)ccc1O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-9747505575	459.947	QXQNPARWAYLWGI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145545
Oc1ccc(Cl)cc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324830969	459.947	QXQNPARWAYLWGI-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145546
Clc1c(c2noc(c2C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)C)cccc1	PC-id_44052845	459.949	JSLWPUNYVOPMSI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145547
Clc1ccc(cc1)C(=O)c1c(NC(=O)c2cccc(c2)S(=O)(=O)C)sc2c1CCC2	PC-id_112818829	459.966	MFDOMHGPGUKYKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145548
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3)n2)sc2c(CCC2)c1C(=O)OC	CoCoCo_565385,EMOLS-id_2514563,TIMTEC133167,ZINC22_16447864,MCULE-2276365498,PC-id_2979040	459.969	DUHSZXWHRFFOCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145549
Cc1ccc(c2ccc(C(=O)NC(=S)Nc3sc4c(c3C(=O)N)CCC4)o2)cc1Cl	ZINC22_57316538,PC-id_17334503	459.969	ZCQCELQEPUYZBV-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-145550
c1(NC(=O)c2c(Cl)cnc(SC)n2)sc2c(CCC2)c1C(=O)NCc1cccnc1	EMOLS-id_2514109,MCULE-1665222322,CoCoCo_564764,PC-id_2978806,ZINC22_8845972,TIMTEC572075	459.972	YJUYZLYVRSITCB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-145551
Clc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1CC(C)N(C[C@@H]1C(C)C)C	SCHEMBL6377913,PC-id_59508169	459.972	YNJWPDGBGBTWIT-WTNGLUPJSA-N	00000010100010101001000010000000000000000000000000000000	25-01-145552
Clc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(C(=O)N3C(CN(C(C3)C)C)C(C)C)Cc12)C	PC-id_72310309	459.972	YNJWPDGBGBTWIT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-145553
Clc1nnc(Nc2ccc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1	PC-id_20167335	459.972	GZMKGOVLXKEIFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145554
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_9910422,PC-id_16359555,MCULE-9992285716,EMOLS-id_11804127,CoCoCo_4296984	459.972	LFCRDQLYOZEMFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145555
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_16328970,MCULE-7302897494,CoCoCo_3641189,ZINC22_9730080,EMOLS-id_11765391	459.972	JVNXKUVUKXNILK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145556
Brc1sc(Br)c2c1C(NC(=O)CCCBr)CC2=O	PC-id_11597789	459.98	HKXGVMNSUMKEOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-145557
Clc1ccc(cc1)C(=O)c1c(NC(=O)C2CCN(CC2)C(=O)N(C)C)sc2c1CCC2	PC-id_112830902	459.989	NWOALUWYWJZHCU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145558
NC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2CCCc12	EMOLS-id_16349209,PC-id_18581532,MCULE-2335174769	459.991	CWGWWQPRXKQSLY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145559
NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CCC2	PC-id_41398087,ZINC22_10187188,CoCoCo_2590318	459.991	CWGWWQPRXKQSLY-SNVBAGLBSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145560
NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CCC2	ZINC22_10187189,PC-id_41398088,CoCoCo_2590319	459.991	CWGWWQPRXKQSLY-JTQLQIEISA-N	00000010100100000000000010000000000000000000000000000000	25-01-145561
IC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)I	SCHEMBL19312186	460.01	CVSPCRUGVBSRMJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145562
Clc1cccc(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140883025	460.044	HJAJBIHOVGCUFR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145563
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1Cl	PC-id_140883020	460.044	UYCMUYMDZUXNEY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-145564
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)Br)C	PC-id_164611531	460.071	SFJLKCOHVGYPAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145565
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)Br)C	PC-id_164625776	460.071	UNNQACPDIYWBDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145566
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC(=C(C=C3)F)F)Cl)NS(=O)(=O)N4CCC(C4)O	PC-id_155278757	460.078	KMIJHXGEJLSYGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145567
CC1CN2C(=C(C=N2)S(=NC(=O)NC3=C(C=CC(=C3C)F)C4=CC(=NC=C4)OC)(=O)N)O1	PC-id_165369994	460.133	RMFRVISCUSQOAQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-145568
C[C@H]1CN2C(=C(C=N2)S(=NC(=O)NC3=C(C=CC(=C3C)F)C4=CC(=NC=C4)OC)(=O)N)O1	PC-id_165369633	460.133	RMFRVISCUSQOAQ-UHNGBDBHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-145569
C[C@@H]1CN2C(=C(C=N2)S(=NC(=O)NC3=C(C=CC(=C3C)F)C4=CC(=NC=C4)OC)(=O)N)O1	PC-id_165370367	460.133	RMFRVISCUSQOAQ-OSVDGXILSA-N	00000010100000111001100010000000000000000000000000000000	25-01-145570
C1CN(CCC1C2=CC=CC=C2C(F)(F)F)C(=O)C3=NNC4=C3CN(C4)CCC(F)(F)F	PC-id_153512495	460.17	AILVVXAPLKLHGW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145571
CC1=NN(C(=C1)NC2=C(C(=CC(=C2)O)O)C(=O)N3CC4=C(C3)NN=C4)CC5=CC=C(C=C5)OC	CHEMBL4452171,PC-id_155268829	460.186	PKJZRNPLOBZLOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145572
CC1CCN(C1)C(=C)N2CC3=C(C2)N=C(N3)C(=N)C4=C(C=C(C=C4)C5=C(C=CC(=C5)F)CO)N	PC-id_154689159	460.239	ZSNBULVLTIUJBR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145573
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)N5CCOCC5)N	PC-id_154689244	460.239	QUAONMAFBGAFNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145574
C1c2c(CS1)sc(c2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	SCHEMBL1659786,PC-id_87273198	460.277	WMHZUCVNXPDEHK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-145575
Fc1cc(I)ccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328217461,MCULE-2225049278	460.283	HZILSACGEGCZGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145576
c1(NC(=O)c2cc(Br)ccc2OC(F)F)sc2c(CCC2)c1C(=O)OCC	ZINC22_2791267,TIMTEC240798,EMOLS-id_8855041,PC-id_4776159,MCULE-8520006040,CoCoCo_6583529	460.29	JKOVPVOZPVCPJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145577
COc1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324841715	460.301	BJJJDEJDPLWTKC-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145578
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1ccccc1	MCULE-4457824537	460.301	BJJJDEJDPLWTKC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145579
Brc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)cc1	PC-id_16947250	460.319	LUZJGZIZJIBZOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145580
Brc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)ccc1	PC-id_16947249	460.319	YSDYYBRDVNMCQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145581
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324870158	460.319	YEOSAZIKQHPPQG-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145582
Cc1cccc(C)c1OCc1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324870154	460.319	WVDROGSLCWYVJM-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145583
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)c1	EMOLS-id_324882435	460.319	JSOPQXIQVXSMEE-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145584
Cc1ccc(C)c(OCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)c1	EMOLS-id_324878351	460.319	POYQWKVXUKEOOG-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145585
Cc1cccc(OCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)c1C	EMOLS-id_324880384	460.319	NSGFAEXDTMOSLK-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145586
Cc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)c1C	EMOLS-id_324876300	460.319	DTEINYQWCMSKKA-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145587
CCc1cccc(OCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)c1	EMOLS-id_324889614	460.319	DRGCRONNQNMTAZ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145588
CCc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)c1	EMOLS-id_324889610	460.319	NXMATBYRLUCIEL-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145589
CCc1ccc(OCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324888581	460.319	HGSRSPQXALRPLW-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145590
CCc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_324888577	460.319	DKWPRZXNMYEKPN-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145591
Fc1cc(Br)ccc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324850940	460.319	BNHYKNDWHZNMTM-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145592
Fc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1Br	EMOLS-id_324850936	460.319	YBDWOJLNYJQZFV-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-145593
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)CCCOc1ccccc1	MCULE-1454605077	460.319	BNHYKNDWHZNMTM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145594
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1ccc(cc1)CC	MCULE-7931597156	460.319	HGSRSPQXALRPLW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145595
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1cccc(C)c1C	MCULE-1397241413	460.319	NSGFAEXDTMOSLK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145596
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1cc(C)ccc1C	MCULE-7647104409	460.319	JSOPQXIQVXSMEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145597
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1c(C)cccc1C	MCULE-9175184811	460.319	YEOSAZIKQHPPQG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145598
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1cccc(CC)c1	MCULE-7239769815	460.319	DRGCRONNQNMTAZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145599
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)CCCOc1ccccc1	MCULE-3102287967	460.319	YBDWOJLNYJQZFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145600
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1ccc(cc1)CC	MCULE-4552077982	460.319	DKWPRZXNMYEKPN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145601
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1c(C)cccc1C	MCULE-1404065290	460.319	WVDROGSLCWYVJM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145602
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1cc(C)ccc1C	MCULE-2017676013	460.319	POYQWKVXUKEOOG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145603
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1cccc(C)c1C	MCULE-9720601094	460.319	DTEINYQWCMSKKA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145604
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1cccc(CC)c1	MCULE-9150060340	460.319	NXMATBYRLUCIEL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145605
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1OC	ZINC22_16742147,EMOLS-id_45965709	460.333	PTIUPKVZBDMFJW-CGNXVJBXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145606
COc1ccc(/C=C/c2nc3s/c(=Cc4c(Cl)cccc4Cl)/c(=O)n3n2)cc1OC	ZINC22_16742087,EMOLS-id_45965677	460.333	YKTGYMZVCUWFQA-YNOOQSKBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145607
n12nc(nc1sc(=Cc1c(cccc1Cl)Cl)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-1921955191	460.333	YKTGYMZVCUWFQA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145608
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-1947636775	460.333	PTIUPKVZBDMFJW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145609
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6274437582	460.333	DJBACEWXLIXDEZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145610
C=C/C=C(/c1nc2n(c1)c(=O)/c(=C/c1cc(Br)c(c(c1)OC)O)/s2)C=C(/N)C	SCHEMBL17787944,PC-id_121367228	460.344	IKAGKBOOTDZNOV-BVFBXWSHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145611
CCc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324916736	460.376	QYYJLVLKTGHPCH-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145612
CC(C)c1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1	EMOLS-id_324911112	460.376	OODIXJZMHFDYIZ-GRSHGNNSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145613
CC(C)(C)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324845810	460.376	SHVYNLRBXHQJCZ-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145614
Clc1ccc(CCNC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)cc1	PC-id_16947468	460.376	RMUZMWQYSJOJGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145615
n12c(=O)c(=Cc3ccc(cc3)C(C)C)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5950967720	460.376	OODIXJZMHFDYIZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145616
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8116531993	460.376	SHVYNLRBXHQJCZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145617
n12nc(nc1sc(=Cc1ccc(CC)cc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-8071464970	460.376	QYYJLVLKTGHPCH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145618
Brc1ccc(C2OCCN(C2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_56100322	460.387	HCFORDHVBKVPBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145619
c1(NC(=S)NNC(=O)c2ccc(Br)s2)sc2c(CCC2)c1C(=O)OC	MCULE-6631021934,TIMTEC133146,PC-id_4508309,EMOLS-id_4145142,CoCoCo_6797540	460.389	DUHFHOKHJISFKA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145620
c1(NC(=S)NNC(=O)c2scc(Br)c2)sc2c(CCC2)c1C(=O)OC	TIMTEC578697,PC-id_4508437,CoCoCo_6797555,MCULE-1682137073,EMOLS-id_4145144	460.389	YRGNNFKPOFFGHX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145621
COC(=O)N1Cc2c(C1)[nH]nc2C(N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F)O	SCHEMBL19831756,PC-id_134224610	460.398	JZVLNVPBVQGIDK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145622
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)OCCCCCCCCC)cc2)cc1	SCHEMBL11605198,PC-id_20351624	460.404	RKTHCCDXKIXDLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145623
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)Cl	SCHEMBL19771928,PC-id_134170760	460.419	FMQLKSWRKXZWJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145624
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)Cl	PC-id_134166988,SCHEMBL19767328	460.419	FMQLKSWRKXZWJZ-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145625
s1c2CCCc2c(c1NC(=O)COC(=O)c1oc(c2cc(ccc2)C(F)(F)F)cc1)C#N	PC-id_24339406	460.426	ROJHMABCDSDHNT-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-145626
CNC(=O)C1(COC1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn12	PC-id_139507397,SCHEMBL21378258,BindingDB-id_980741	460.431	MFFCABLUDDIMEY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-145627
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-2387201656	460.437	JNOQEIXQCOBHEI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-145628
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-9448538533	460.437	BODWGQHKCIMJFP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-145629
OCc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)O)C	SCHEMBL21081530,PC-id_138705368	460.449	GJGZYBVMPDCNSI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145630
CC1(c2c(CN1C(=O)O)c(nn2C(=O)O)NC(=O)c1c(c(ccc1)F)N1CCN(CC1)C)C	PC-id_91044143	460.459	DXVUHUSKOAYILN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145631
CC1(c2nn(c(c2CN1C(=O)O)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)F)C(=O)O)C	PC-id_91202375	460.459	KAAKMESATPPCIG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145632
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1621083511,EMOLS-id_334336162	460.46	NDMTXHFMQMPGKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145633
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C(=O)Nc1cc(cc(c1)C#C)F	SCHEMBL20253001,PC-id_134599097	460.46	KGWXYGZSXKUJMI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145634
FCc1nn2c(c1C(=O)NC(c1ccc(cc1)C)C)N(CC2)Cc1cccc(c1)C(F)(F)F	PC-id_145296924	460.467	WXQMJAOIQUBNPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145635
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(F)(F)F)CC(=O)NCc2ccccc2)C1	PC-id_44053344	460.472	QMBIXBMKBQSIDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145636
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C(F)(F)F)CC(=O)NCc2ccccc2)C1	PC-id_44053345	460.472	RJNUHMFLKLVFPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145637
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C(F)(F)F)CC(=O)NCc2ccccc2)C1	PC-id_44053346	460.472	XOYOBVNJFTTXTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145638
Cc1c(cc(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)C(=O)NC)C)F	PC-id_134599052,SCHEMBL20252953	460.474	FLGZHQBGXFDHGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145639
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1ON=C(C1)c1cc(F)ccc1)C(=O)OCC	PC-id_55644920	460.475	XIBBOPXJAQTGKF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-145640
CC1(Nc2ncc(n2O1)[N+](=O)[O-])COc1cccc(c1)N1CCN(CC1)C(=O)OC(C)(C)C	PC-id_136466512,SCHEMBL6010841	460.484	JHGJDVSUJSAENX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145641
c1(NC(=O)CSc2nc(c3ccccc3)cc(n2)C(F)(F)F)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBL7914172,CoCoCo_266430,BAS-02862920,PC-id_1140856,ZINC22_883865,EMOLS-id_1404184,ChEMBL-DNDi_CHEMBL1527064,TIMTEC165823,MCULE-2526955355,CHEMBL1527064	460.495	GERSQQNOEHVXMT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145642
CCOC(=O)n1nc2c(c1NC(=O)Cc1ccc(cc1)F)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL12879089,PC-id_58015668	460.499	MJMDWFBOYIIODY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145643
C=C/C=CC(=C/CCC/C=CC(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)O)[N+](=O)[O-]	PC-id_143287390	460.5	GENSTIMSUWJCHC-QVNRULJLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-145644
s1c2c(CCC2)c(c1NC(=O)CNc1cc(cc(c1)C(=O)OC)C(=O)OC)C(=O)OCC	PC-id_37176649	460.5	VFZZNDKTHYMZOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145645
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)OCC)ccc1)C(=O)OCC	PC-id_41614055	460.5	SDXVBPASSBPIBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145646
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N(C)C(=O)OC)cccc1)C(=O)OCC	PC-id_56202004	460.5	BHMGPKMJHMLTMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145647
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_3586172	460.5	GCPJZANYFWDDMH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145648
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_5868073	460.5	GCPJZANYFWDDMH-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145649
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)cc(OC)c(OC)c1)C(=O)N	PC-id_24379487	460.5	URYNRQRLIIWCAX-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145650
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)cc(OC)c(OC)c1)C(=O)N	PC-id_74266840	460.5	URYNRQRLIIWCAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145651
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_45698883	460.5	QYBKXCZJNRPFFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145652
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)ccc1)C(=O)OCC	PC-id_35726657	460.5	WWFLOPPXKSLJDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145653
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1c(OC)cccc1)C(=O)OCC	PC-id_35961183	460.5	PKJVXIUXJPSHPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145654
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1c(OCC)cccc1)C(=O)OC	PC-id_35690282	460.5	COBQTUXQFAIGAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145655
Fc1ccc(c(c1)N)N1CCC(CC1)CNC(=O)[C@@H]([C@H](C(=O)N1Cc2c(C1)cnn2C)O)O	PC-id_70329372,SCHEMBL8273768	460.502	QWTQGWOMNWIOBV-WOJBJXKFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145656
Fc1cc(N)c(N2CCC(CC2)CNC(=O)C(O)C(O)C(=O)N2Cc3n(ncc3C2)C)cc1	PC-id_77825266	460.502	QWTQGWOMNWIOBV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145657
CC1(Cn2cc(nc2O1)[N+](=O)OC(C)(C)C)COc1ccc(cc1)OC(=O)N1CCNCC1	PC-id_91057635	460.503	PUGQSDFVWDCKMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145658
CC(C)(C)O[N+](=O)c1cn2CC(Oc2n1)COc1ccc(cc1)COC(=O)N1CCNCC1	PC-id_90777156	460.503	SNFTVMVPTLXXDR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145659
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C(=O)C)C	SCHEMBL18588060	460.503	AFDVDAHTBLHGPV-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-145660
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C(=O)C)C	SCHEMBL20484863	460.503	AFDVDAHTBLHGPV-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-145661
c1(NC(=O)c2c(=O)ccn(c3ccccc3)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_8994497,STOCK6S-02927,PC-id_16452705,EMOLS-id_2644188,MCULE-2290942424,TIMTEC527308,CoCoCo_2236098	460.505	WLXFXPXYCYSDHM-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-145662
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)CCO)sc2CCCc2c1C#N	EMOLS-id_333692711,MCULE-5661292431	460.507	HXPFNTRZEZPICQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-145663
c1(NC(=O)COc2nonc2CC(=O)NCCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_333685072,MCULE-3904122870	460.507	DAPODQOZNVPLSQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-145664
c1(NC(=O)COc2nonc2C(=O)NCCCN2CCOCC2)sc2CCCc2c1C#N	MCULE-7642818732,EMOLS-id_333715260	460.507	BESPMSXELRAQCP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-145665
NC(=O)[C@@H](C(=O)N1Cc2c(C1)cnn2C)NS(=O)(=O)c1cccc(c1C)N1CCCC1=O	PC-id_70662439,SCHEMBL12096050	460.507	DVCLOHLQUBGYKS-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145666
S(=O)(=O)(NC(C(=O)N1Cc2n(ncc2C1)C)C(=O)N)c1c(c(N2CCCC2=O)ccc1)C	PC-id_77892536	460.507	DVCLOHLQUBGYKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145667
Cc1c(cccc1c1n[nH]c(=O)c(c1)Nc1ccncn1)NC(=O)c1cc2c(s1)CCC2O	PC-id_58540014,SCHEMBL2463952	460.508	IADNPUHYLYPOFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145668
CCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F	SCHEMBL6376669,PC-id_59508360	460.52	BTLWTVMJTNIZFY-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145669
CCN1CC(N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(cc(cc1)F)F)C	PC-id_91446866	460.52	DKOQLOMSWTVDMM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145670
Fc1ccc(c(c1)F)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)N(C[C@@H]1C)C	BindingDB_PC-id_59508181,SCHEMBL598163,PC-id_59508181	460.52	GYKDIOVGUHITEE-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145671
Fc1c(C(=O)Nc2n[nH]c3C(N(C(=O)N4CC(N(CC4C)C)(C)C)Cc23)(C)C)ccc(F)c1	PC-id_72310320	460.52	GYKDIOVGUHITEE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145672
CN1C(=O)c2c(C1=O)c([nH]c2Cc1cccn1c1ccccc1)Cc1cccn1c1ccccc1	PC-id_69190765,SCHEMBL4788631	460.526	QHZOOHIWTBGVSX-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-145673
CN1C(=O)c2c(C1=O)c([nH]c2C(c1[nH]ccc1)c1ccccc1)C(c1[nH]ccc1)c1ccccc1	PC-id_69190766,SCHEMBL4788633	460.526	UBFJXGXRWYRYEM-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-145674
CN1C(=O)c2c([nH]c(c2C1=O)Cc1c(cc[nH]1)c1ccccc1)Cc1c(cc[nH]1)c1ccccc1	PC-id_91276200	460.526	VJYJYMIPQFNRDP-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-145675
CC([C@@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)C(=O)O)C	PC-id_57791592,SCHEMBL8027347	460.527	SSVYRGXQGLGIOM-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145676
CC([C@@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)C(=O)O)C	SCHEMBL8014925,PC-id_57791571	460.527	MFCWQQONCAJKOS-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145677
CC(C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)C(=O)O)C	SCHEMBL13786535,PC-id_57791700	460.527	SSVYRGXQGLGIOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145678
CC(C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)C(=O)O)C	PC-id_57791695,SCHEMBL13786533	460.527	MFCWQQONCAJKOS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145679
s1c2c(CCC2)c(c1NC(=O)c1scc(Cn2nc(c([N+](=O)[O-])c2C)C)c1)C(=O)OC	PC-id_19494802	460.527	MMEXRDPPYDGTIA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-145680
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)c1cn(nc1)C)C(=O)OCC	PC-id_55994706	460.527	QNZZWPXVXLAZDF-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-145681
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)c(OC)cc1)C(=O)N	PC-id_3478963	460.527	GTQKMOWWEGYEOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145682
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)[C@H](O)c3ccccc3)C4)cc2)CC1	BindingDB_PC-id_11442557,BindingDB-id_23388,SCHEMBL2919718,PC-id_11442557,CHEMBL385872	460.528	KGHHVSJZWGWWDG-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145683
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)C(c1ccccc1)O	PC-id_90710724	460.528	KGHHVSJZWGWWDG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145684
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-5581229733	460.528	IRNUMLZRIQPZGL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-145685
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)s1	EMOLS-id_324829944	460.528	IRNUMLZRIQPZGL-UYRXBGFRSA-N	00000000100100110001000010000000000000000000000000000000	25-01-145686
c1(NC(=O)CSc2nnc(NN=Cc3ccco3)[nH]2)sc2c(CCC2)c1C(=O)OCC	MCULE-2561038021,PC-id_4772223	460.53	JDVOPCLPAFEUQT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-145687
CCOC(=O)c1c(NC(=O)CSc2nnc(N/N=C/c3ccco3)[nH]2)sc2CCCc12	ZINC22_20168357,SPECS-id_AN-153/I181473,EMOLS-id_7696022,PC-id_17368851,TIMTEC234825	460.53	JDVOPCLPAFEUQT-AWQFTUOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-145688
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_2938871,TIMTEC302771,EMOLS-id_2210868,MCULE-7342548875	460.543	MBOBGCSEJKRQOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145689
CCOC(=O)c1c(NC(=O)NCc2ccc(cc2OC)OC)sc2c1C(CC2)CC(=O)C	SCHEMBL15236771,PC-id_89788549	460.543	SHRNRJGBJPBGGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145690
COc1cc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc(OC)c1OC	CoCoCo_5891431,PC-id_1307057,ZINC22_1132262	460.543	MBOBGCSEJKRQOR-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145691
COc1cc(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)cc(OC)c1OC	CoCoCo_5891432,PC-id_1307056,ZINC22_1132261	460.543	MBOBGCSEJKRQOR-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145692
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(OCC)c(OCCC)cc1)C)C(=O)N	PC-id_24497545	460.543	YOUFSAZSIHMSBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145693
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCC)c(OCC(C)C)cc1)C(=O)N	PC-id_3873995	460.543	XIHZLDOHIIEEQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145694
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCC)c(OCCCC)cc1)C(=O)N	PC-id_42971754	460.543	ZVNUBYIHFUVMHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145695
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OCCC(C)C)cc1)C(=O)N	PC-id_16501464	460.543	WCTQGJUACZXJHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145696
C(=Cc1ccccc1)(C(=O)Nc1sc2CCCc2c1C(=O)OCC)NC(=O)c1ccccc1	MCULE-4349437463	460.545	VPJOGTJMLSDWOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145697
CCOC(=O)c1c(NC(=O)/C(=Cc2ccccc2)/NC(=O)c2ccccc2)sc2CCCc12	EMOLS-id_327783155	460.545	VPJOGTJMLSDWOC-CAPFRKAQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145698
O=C(Nc1ccc(cc1)F)C[NH+]1CCN(CC1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	GD-id_ZINC20811465	460.545	MFNMNVVZLUVAOF-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-145699
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccc(F)cc1)C(=O)OC	PC-id_19729620	460.545	CXRJUKJJFADRFW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145700
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)C)C(=O)OCC	PC-id_17269661	460.545	LEKNTHMYARSZIN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145701
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(F)cccc1)C)C(=O)OCC	PC-id_55322528	460.545	BMBZMCBVUVWPRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145702
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCO)sc2CCCc2c1C#N	MCULE-7004766101,EMOLS-id_331930910	460.547	LPMNWTKJJCHVEZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145703
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCOCCO)sc2CCCc2c1C#N	MCULE-9106512830,EMOLS-id_331930137	460.547	CLNSMQSZEHKIEE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145704
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCO)sc2CCCc2c1C#N	EMOLS-id_331930643,MCULE-5378716525	460.547	UBQPVOXIHGHMHG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145705
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CC(C)O)sc2CCCc2c1C#N	MCULE-4266545331,EMOLS-id_331923742	460.547	UHRPIECGUIVLIY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145706
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCOC)sc2CCCc2c1C#N	MCULE-2381205804,EMOLS-id_331921943	460.547	ATIJTXFQBMGGOZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145707
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CC)sc2CCCc2c1C#N	EMOLS-id_331926805,MCULE-1399971405	460.547	INJNOHMZMKFYOM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145708
CC1(CCN(C1)C)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484749,PC-id_135315303	460.547	FNEGDDCPELEFIW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145709
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CCN(CC1)C)(C(=O)NO)S(=O)(=O)C	PC-id_135315375,SCHEMBL20484836	460.547	HWZWFZYNQAGOQG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-145710
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@H]1CN(C)C)(C(=O)NO)S(=O)(=O)C	PC-id_135315365,SCHEMBL20484825	460.547	VPBSGRXLORZHIF-KGVIQGDOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-145711
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@H]1CN(C)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484827,PC-id_135315367	460.547	VPBSGRXLORZHIF-HVHHGIHYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-145712
CN1CCC(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)CC1	SCHEMBL20484835,PC-id_135315374,CHEMBL4449941	460.547	HWZWFZYNQAGOQG-JOCHJYFZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-145713
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(C)CCN(C1)C)C	SCHEMBL20484747	460.547	FNEGDDCPELEFIW-FOIFJWKZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145714
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC)CN(C1)C)C	SCHEMBL20484853	460.547	NKERLSNKMCYENC-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-145715
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC)CN(C1)C)C	SCHEMBL20484856	460.547	NKERLSNKMCYENC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-145716
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)Cc1cc(OC)c(OC)cc1	PC-id_44053182	460.547	OWVGHOSDLYTJGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145717
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)COc1ccc(OCC)cc1	PC-id_44053175	460.547	NGRHCFNXNGEJTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145718
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC(=O)NCCC)C1	PC-id_44052836	460.547	BQRONXUHSYVVTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145719
c1(NC(=O)COc2cccnc2NC(=O)CCc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_321802878,MCULE-2143386443	460.548	TZWVYFALOWOWRE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145720
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332715841,MCULE-3458839152	460.548	BQUMKZPRSTVXEM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145721
CCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](N(C[C@@H]1C)C)CCO)F	SCHEMBL20503390,PC-id_135331971	460.548	JCOPEUSHSHZFLP-KBPBESRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145722
C[C@@H]1CN([C@@H](C)CN1CCCO)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C	PC-id_59333989,BindingDB-id_546044,BindingDB_PC-id_59333989,SCHEMBL7014339	460.548	DEJFAPAUYNCUMS-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145723
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	EMOLS-id_324918024	460.548	FQIBBUWKDSNRFR-LRFXARPXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145724
CCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3sc4c(c3C#N)CCC4)cc2)cc1	CoCoCo_3686860,ZINC22_12796217,EMOLS-id_48957042,PC-id_25518628,MCULE-9930702672	460.548	CDSZOIQNILLHLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145725
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)N(C[C@@H]1C)C)F	SCHEMBL3327178,PC-id_25154946	460.548	YKEMNGJUZQIQPN-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145726
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC)F	SCHEMBL3326711,PC-id_25154947	460.548	IWFDVXGAPAJHFJ-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145727
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)N(C[C@@H]1C)C)F	SCHEMBL3327752,PC-id_25155220	460.548	UESMIZJPNMOHFO-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145728
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(C(C2)C)CCCO)C)(C)C)nc(nc1)C	SCHEMBL3325716,PC-id_68596682	460.548	DEJFAPAUYNCUMS-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145729
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2[C@H](CN(C(C2)CCO)C)C)(C)C)nc(nc1)CC	PC-id_25155746,SCHEMBL3323153	460.548	JCOPEUSHSHZFLP-LSLKUGRBSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145730
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)C=Cc1ccccc1	MCULE-6312772485	460.548	FQIBBUWKDSNRFR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145731
OCCC1(CN[C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(CC)ncc1F	SCHEMBL16872517,PC-id_118205634	460.548	BMCVDKBUTHBAJC-JHAYDQECSA-N	00000010100010100001000010000000000000000000000000000000	25-01-145732
c1(NC(=O)COc2nonc2CC(=O)NCCCN(CC)CC)sc2CCCc2c1C#N	MCULE-9578767729,EMOLS-id_333685073	460.55	WMNJWCOIHBIJDK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145733
c1(NC(=O)COc2nonc2C(=O)NCCCCN(CC)CC)sc2CCCc2c1C#N	MCULE-1563717135,EMOLS-id_333714237	460.55	XHYZLOHQUTXWOY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145734
Cc1csc(Sc2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCC4)cc2[N+](=O)[O-])n1	EMOLS-id_15236292,CoCoCo_3218550,PC-id_2537771,ZINC22_3418616,MCULE-4920785394	460.55	XEBKTILRGBLLMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145735
s1c2CCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(Sc2scc(n2)C)cc1	PC-id_27684238	460.55	OKRDHMLDNIUWEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145736
C1COCCN1CC(=O)Nc1cc2=NC(=C(c3c(cc(cc3)c3ccncc3)N)N)C=c2s1	PC-id_90077495	460.551	HQSKPPPOKOUAID-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-145737
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1cc(F)c(OC)cc1)C)C(=O)N	PC-id_46631425	460.565	CLXBMLUCUIDHNN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145738
CCOC(=O)c1c(NC(=O)C[N@@H+](CC(=O)Nc2ccccc2OC)CC)sc2c1CCC2	PC-id_27219612,GD-id_ZINC16588317	460.566	OIRBUOIUKSDGOX-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-145739
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CC=C)CC=C)cc1)C(=O)OC	PC-id_23853129	460.566	KPZASISMPYKZDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145740
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CC1OCCC1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_74511263	460.566	ANOOINPYYXSEHE-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-145741
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C[C@H]1OCCC1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_26864324	460.566	ANOOINPYYXSEHE-HNNXBMFYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-145742
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C[C@@H]1OCCC1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_26864325	460.566	ANOOINPYYXSEHE-OAHLLOKOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-145743
s1c2c(CCC2)c(c1NC(=S)NC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_54788582	460.566	PVXISYTUYIONLV-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145744
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_76195942	460.566	PVXISYTUYIONLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145745
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1)C(=O)OC	PC-id_4947222	460.566	ZOPCKRVYOQSYKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145746
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCN(C)CC2)sc2CCCc2c1C#N	MCULE-8374467112,EMOLS-id_333773394	460.57	KPGJARZVDQKKKF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145747
Cc1ccc(NCC(=O)Nc2sc3c(c2C#N)CCC3)cc1S(=O)(=O)N1CCOCC1	EMOLS-id_24502421,PC-id_16323995,CoCoCo_3686846,MCULE-9191361974,ZINC22_9865263	460.57	HKWTZSVAULYNDV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145748
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CC[N@H+](CC1)CCNC(=O)c1ccco1	GD-id_ZINC27281434	460.57	BXRVDSZWNVDEIT-CQSZACIVSA-O	00000010101010000001000010000000000000000000000000000000	25-01-145749
CN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1sc2c(c1C#N)CCC2	CHEMBL91833,BindingDB_PC-id_44324508,PC-id_44324508	460.57	XFSXUKMVZRPFEB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145750
s1c2c(CCC2)c(c1NC(=O)CN(CCC)Cc1oc(nn1)c1sccc1)C(=O)OC	PC-id_24428695	460.57	KKGVHGFYGQGTIF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-145751
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC(C)C)c(nn1)c1occc1)C(=O)OC	PC-id_16513555	460.57	ICMSALNGKIVAFU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145752
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19726327	460.57	XMFGRTWFEROEER-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145753
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19726457	460.57	DDRLZCBAXLKJBD-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145754
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1occc1)C(=O)OCC	PC-id_19724361	460.57	RFWFNKYBLQQBPZ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145755
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1occc1)C(=O)OCC	PC-id_19724477	460.57	XCFPRJRMOHWKBS-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145756
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC)C(=O)OCC	PC-id_19726133	460.57	QQWFWMCCLUOOEZ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-145757
CN(C[C@@H](N(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C)c1ccccc1)C	BindingDB_PC-id_57523678,SCHEMBL12879419,PC-id_57523678	460.571	MRJFTMYNZOOJMT-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145758
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334391824,MCULE-6221768851	460.586	HLRQKXGKMRGSSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145759
CCOC(=O)c1c(NC(=O)c2cccc(c2)CN(CC(O)C)CC(O)C)sc2c1CCC2	SCHEMBL265706,PC-id_66637544	460.586	CZRQLMOSEFJRRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145760
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(OC)c(OCC)cc1)CC)C(=O)OCC	PC-id_16608721	460.586	VUPKUVSHEYMRHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145761
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_19114746,EMOLS-id_334335907,MCULE-1722000903	460.588	CDFALWBOCCELIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145762
c1(NC(=O)C(=Cc2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4303081568	460.588	PPZWIIBEWURZBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145763
c1(NC(=O)C(=Cc2ccc(cc2)OC(C)C)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-6182263547	460.588	OUYKQURWJAWKRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145764
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7357529721	460.588	FJZUFWSVDFPYCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145765
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334328743	460.588	FJZUFWSVDFPYCE-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145766
CNC(=O)c1c(NC(=O)/C(=C/c2ccc(OC(C)C)cc2)/c2ccccc2)sc2CCCc12	EMOLS-id_334331093	460.588	OUYKQURWJAWKRM-CJLVFECKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145767
COCCCNC(=O)c1c(NC(=O)/C(=Cc2ccccc2)/c2ccccc2)sc2CCCc12	EMOLS-id_334387734	460.588	PPZWIIBEWURZBL-PYCFMQQDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145768
s1c2c(CCC2)c(c1N(Cc1cc(OC)c(OCCc2ccccc2)cc1)C(=O)CC)C#N	PC-id_50887459	460.588	SFTBSTKKFBIFFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145769
c1(sc2c(CCC2)c1C(=O)N)NC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1	ZINC22_20591272,CoCoCo_6534131,EMOLS-id_4752381,PC-id_16423191,STOCK6S-18308,MCULE-8217941016	460.591	NPNBVBWXJDTZKS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145770
s1c2CCC(C(=O)N3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947507	460.591	PCZRKLWSOZFYFI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145771
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nnc1c1cccs1	CoCoCo_6964941,MCULE-1106756614,EMOLS-id_30081370,ZINC22_14062664,SPECS-id_AO-476/43417562,PC-id_19725554	460.593	ONQDRNVCWKVEFZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-145774
COC(=O)c1c(NC(=O)CSc2nnc(Nc3ccccc3C)s2)sc2c1CCC2	CoCoCo_2984429,ZINC22_13096550,MCULE-4978830570,EMOLS-id_43744496,PC-id_16274725	460.593	LHHJILRRYRPJGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145775
COC(=O)c1c(NC(=O)CSc2nnc(NCc3ccccc3)s2)sc2c1CCC2	MCULE-4052826080,PC-id_16272777,CoCoCo_3003664,EMOLS-id_43752493,ZINC22_13095464	460.593	BWQJSTXPOYTOSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145776
s1c2c(CCC2)c(c1NC(=O)CSc1sc(Nc2ccccc2)nn1)C(=O)OCC	PC-id_3266648	460.593	ZZDMNILNQNIOQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145777
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)NC(=S)Nc1sc2CCCc2c1C#N	PC-id_23936770	460.593	JQFBZUFQUYRNND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145778
CCCCC(C)C(=O)C=CC1C(Cc2c1cc(o2)CCCCC(=O)OC)OC1CCCCO1	PC-id_88703761	460.603	QYZHNAFDFZDIIY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145779
CCCCC(C(=O)/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)C	PC-id_70481293,SCHEMBL10962202	460.603	QYZHNAFDFZDIIY-MDIHJKKSSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145780
CCCCC(C(=O)C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)C	SCHEMBL10992947,PC-id_57272852	460.603	QYZHNAFDFZDIIY-SPYJXWKKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145781
CCCC[C@@H](C(=O)C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)C	SCHEMBL10992944,PC-id_70487798	460.603	QYZHNAFDFZDIIY-WAAAIEHJSA-N	00000010100010000000000010000000000000000000000000000000	25-01-145782
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)NC1CCS(=O)(=O)C1	EMOLS-id_10105464,PC-id_17012692,MCULE-5729909861,TIMTEC200726	460.609	HRYQUGRPAZCQNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145783
c1c(ccc(c1)C(C(=O)Nc1sc2c(n1)CCC2)CC1CCOCC1)S(=O)(=O)C1CC1	BindingDB_PC-id_46907263,PC-id_46907263,CHEMBL1164790	460.609	MKIYWNHKYDNDGI-UHFFFAOYSA-N	00100010100010110001000010000000000000000000000000000000	25-01-145784
c1(NC(=S)NC(=O)COc2ccc(c(C)c2)C(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-2271645382,PC-id_19188137	460.609	MRYXYVJACUBJLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145785
CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)cc1	CoCoCo_6329969,PC-id_35042713,ZINC22_27663126	460.609	HRYQUGRPAZCQNO-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145786
CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)cc1	ZINC22_27663128,PC-id_35042715,CoCoCo_6329970	460.609	HRYQUGRPAZCQNO-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145787
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N(Cc1sccc1)C	PC-id_45663372	460.609	ALTBKDXVOKYUOL-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-145788
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCCCC)cc1)C(=O)OCC	PC-id_4935666	460.609	WFVCDBSYHLXEPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145789
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCC(C)C)cc1)C(=O)OCC	PC-id_4949010	460.609	APFPHMBSQLEVIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145790
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCCCCC)cc1)C(=O)OC	PC-id_4933942	460.609	OXLDEDBOFFJJHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145791
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc(Cl)cc1	PC-id_44053412	461.364	GFVTYYFABZHNQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145868
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCC(C)C)ccc1)C(=O)OCC	PC-id_4981939	460.609	JVKNHDUCVNVOED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145792
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCC(C)C)cccc1)C(=O)OCC	PC-id_4944454	460.609	NCAVXMVFTLRIEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145793
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCCCC)cccc1)C(=O)OCC	PC-id_4947055	460.609	WUBOEQCCUVRVIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145794
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCCCCC)cccc1)C(=O)OC	PC-id_4942520	460.609	IEMIQHDPPBNBSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145795
s1c2c(c(C(=O)N3CC[NH+](CC3)Cc3ccccc3)c1NC(=O)c1ccc(cc1)C)CCC2	PC-id_40732890	460.611	CJMAMLQZXFUDCE-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-145796
s1c2c(c(C(=O)N3CC[NH+](CC3)Cc3ccccc3)c1NC(=O)c1cc(ccc1)C)CCC2	PC-id_4094486	460.611	BCGLCECNVJYMAR-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-145797
s1c2c(c(C(=O)N3CC[NH+](CC3)Cc3ccccc3)c1NC(=O)c1c(cccc1)C)CCC2	PC-id_41209291	460.611	SSBJRDQYNSSSMB-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-145798
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331792058,MCULE-5947209218	460.613	ZXUDWZLBZYZRFY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145799
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC=C)C(=O)OCC	PC-id_20125450	460.613	SUNKSOSZOPIJHR-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-145800
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC=C)C(=O)OC	PC-id_16502683	460.613	VGKJFVYCZPCQIY-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-145801
S(=O)(=O)(N1CCCC1)c1ccc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cc1	PC-id_44060411	460.613	CJEOHWGIPSNPNV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145802
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1cccs1	PC-id_140817109	460.665	VGKXLUZZRWFPFA-UHFFFAOYSA-N	00001010100100000001000010000000000000000000000000000000	25-01-145803
CC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)OC1CCCCC1	PC-id_140817121	460.685	FJGKMENYBHJUEZ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-145804
O=C(C1(Cc2c(C1)c(oc2[Si](C)(C)C)[Si](C)(C)C)C(=O)c1ccccc1)c1ccccc1	PC-id_122203606	460.712	AMOGMESWWPKQPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145805
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)C=Cc1ccccc1	MCULE-7209058879	460.732	MEQLNDNWBPOJEQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145806
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(/C=C/c3ccccc3)nn2c1=O	EMOLS-id_324915724	460.732	MEQLNDNWBPOJEQ-MOKCJYBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145807
CCCCCCCCCCCCCc1c[n+]2n(n1)CC(C2)(OC)C#C[Si](C(C)(C)C)(C)C	PC-id_138966713	460.791	ZECAKYOSLCBXLH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145808
COc1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324884490	460.848	ZXMSUVVMTAEPQW-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145809
COc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324842751	460.848	YDSKMGNUMHUEJJ-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145810
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1ccccc1Cl	MCULE-4878109080	460.848	ZXMSUVVMTAEPQW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145811
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1ccc(Cl)cc1	MCULE-7974093408	460.848	YDSKMGNUMHUEJJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145812
Cc1c(n2CCCc2c1C(=O)C(=O)NCCC(=C)C(=O)N)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL20259630,PC-id_134605059	460.886	QIZILAFDUMWBEE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145813
CNC(=O)C1(CC1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12	SCHEMBL19900977,BindingDB-id_799410,PC-id_134285256	460.886	VODUOCVTPPLDOX-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145814
COC(=O)c1c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408622979	460.927	XDUSEAFHXILSGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145815
CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	CoCoCo_3156546,PC-id_41103098,ZINC22_9512722	460.934	BCRVTFYDNPXFPV-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145816
CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_41103100,CoCoCo_3156547,ZINC22_9512724	460.934	BCRVTFYDNPXFPV-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145817
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_38855976,ZINC22_31635067	460.934	VAWZWVYJCPZQLZ-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145818
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_38855979,ZINC22_31635070	460.934	VAWZWVYJCPZQLZ-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145819
CCC1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1cccc(c1)Cl	PC-id_16381987,EMOLS-id_11846287,MCULE-4656311929	460.934	BCRVTFYDNPXFPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145820
CCC1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(cc1)Cl	PC-id_42990257,MCULE-5387074633,EMOLS-id_43794927	460.934	VAWZWVYJCPZQLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145821
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]Cc2occc2)c(OC)cc1	PC-id_26875346	460.954	LJCSJPMAJDXOKF-UHFFFAOYSA-O	00000010101000110000000010000000000000000000000000000000	25-01-145822
n1(N)c(COc2ccc(cc2)Cl)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335750350,MCULE-8442384467	460.96	YRSSCBIJDGLEPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145823
Nn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335751873,MCULE-7133719872	460.96	DJOLFSBZMDGKLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145824
C1CCC(C1)(CC(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl)CC(=O)O	PC-id_135187032,SCHEMBL20339080	460.974	QJFFOLODFKWJHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145825
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)NCc1ccc(cc1)Cl)C(=O)O	PC-id_135186969,SCHEMBL20339022	460.974	RJORIGDUFASMFC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145826
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)NCc1cc(ccc1)Cl)C(=O)O	PC-id_135200283,SCHEMBL20353859	460.974	SVJSQLAWYNPMRA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145827
Cc1c(ccc(c1)Cl)NC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	SCHEMBL20339210,PC-id_135187182	460.974	BHQSJEDYLBKZFK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145828
Cc1c(ccc(c1)NC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O)Cl	SCHEMBL20339086,PC-id_135187035	460.974	ISYKJSRKAHLYPB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145829
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O)Cl	SCHEMBL20339212,PC-id_135187184	460.974	AWSCZFPOHVCMIX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145830
CN(c1ccc(cc1)Cl)C(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	SCHEMBL20339021,PC-id_135186968	460.974	IOJXLQQPAUDJSN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145831
Clc1ccc(C(=O)N2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_24674624	460.977	WQTVYCXVQNTJHK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145832
Clc1c(C(=O)N2CCN(CCC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_56068272	460.977	SXSGEKAVBDAMDW-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-145833
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cc3c(s2)CCC3)ccc1Cl	EMOLS-id_2985940,ZINC22_12584683,CoCoCo_3209719,PC-id_4580469,MCULE-4248965009	460.997	MFFKWAMNIXYCHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145834
Clc1c(N(c2scc(n2)COC(=O)c2sc3CCCc3c2)C(=O)C)c(cc(c1)C)C	PC-id_42985912	460.997	QBVABQRLUFZSQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145835
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2C)cc1	PC-id_19676828	461	WQYHNMDTAAGPFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145836
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)(C)C)CN(C2(C)C)C(=O)Cl	SCHEMBL19312221	461.018	JPXLMEONICFZKW-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-145837
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)C#N	PC-id_155278731	461.054	AFPCFEGAZAFMTL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-145838
Cn1c(c2CCCc2n1)C(=O)Nc1cc(c(nc1)OC)S(=O)(=O)Nc1ccc(cc1)Cl	PC-id_163905439	461.092	QNMJCLOFPHWXSM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-145839
Ic1ccc(c(c1)C(=O)NC(c1nnc2n1CCC2)C)Br	PC-id_108012064	461.096	QANPOYKDSQSVMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145840
Ic1ccc(c(c1)C(=O)N(Cc1nnc2n1CCC2)C)Br	PC-id_108012745	461.096	DUAOUSFCAOYDAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145841
COCCOC1=CC=CC=C1[C@@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CNN=C4	PC-id_164872185	461.137	QWRKWHZQECTNFZ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145842
COCCOC1=CC=CC=C1[C@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CNN=C4	PC-id_164872194	461.137	QWRKWHZQECTNFZ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145843
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)C(F)F)C(=O)C(=S4CCCC4)[N+]#[C-]	PC-id_153433685	461.138	YBIDUBUBEUFNNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145844
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)C)C(=N1)NC(=O)C4=CC=C(C=C4)N(C)C	PC-id_165180373	461.206	QOVIXHTXXLRLRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145845
CC1CCC2=C(N(N=C12)C(=O)OC(C)(C)C)NC(=O)CC3=CC=C(C=C3)C4=CC(=CC=C4)OC	PC-id_154013650	461.231	FMWULACXSNOVER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145846
CC1=CC(=CC(=C1)N(C)C)CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)O	PC-id_160112377	461.243	QYBDRXWAEJOBTD-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145847
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL18740430	461.282	NKOGSFPTFCENAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145848
Ic1ccccc1C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109364	461.296	OBANKJUWZNDZTA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-145849
Ic1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109498	461.296	KJGRAKUCVDOKQB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-145850
Ic1cccc(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109499	461.296	VYENEKHTVPRUCT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-145851
CCCC[Sn](C1(SC)Cn2c(S1)cnc2)(CCCC)CCCC	PC-id_88149513,SCHEMBL7485855	461.307	ZZYZLZDPQUVHLK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145852
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)C	MCULE-6573622939	461.321	ZLUPPUZVWSIURW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145853
Brc1cc(c(OC)cc1)/C=C/C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_24346913	461.329	RUZJRLHFONFAJO-VMPITWQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145854
Brc1cc(c(OC)cc1)C=CC(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_74263061	461.329	RUZJRLHFONFAJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145855
Brc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc1	PC-id_44053280	461.332	WNQHSRILNIFKFY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-145856
Brc1ccc(o1)C(=O)Nc1c2CSCc2nn1CC(=O)NCc1ccccc1	CoCoCo_5277747,EMOLS-id_24913509,PC-id_30862702,ZINC22_23139455,MCULE-8011778764	461.332	BIUCVFDLDSFQLL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-145857
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)ccc1	PC-id_44053279	461.332	VUBYVNWPSRQMQZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-145858
Brc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cccc1	PC-id_44053278	461.332	ZRXSFUWLFZGCMY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-145859
Brc1c(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc(OC)c(OC)c1	PC-id_17516479,CoCoCo_3991640,MCULE-1064073150,EMOLS-id_16724514	461.351	OUTHNVUKITVFGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145860
c1(c2CCCc2sc1NC(=O)COc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	ZINC22_20478513,CoCoCo_6847026,MCULE-1344044287,TIMTEC334278,PC-id_17387390,EMOLS-id_20816090	461.361	NKMZQFJXEWFFLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145861
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6086646509	461.361	SFGVJQBTJRTJEF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145862
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2614433465	461.361	WPRZADRPDNVLHZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145863
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1Cl	EMOLS-id_334338728	461.361	WPRZADRPDNVLHZ-VQHVLOKHSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145864
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c(Cl)c1	EMOLS-id_334336679	461.361	SFGVJQBTJRTJEF-VQHVLOKHSA-N	00000010101000110000000010000000000000000000000000000000	25-01-145865
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(cc3)N(C)C)/c(=O)n2n1	EMOLS-id_324912136	461.364	BUCAWGVTYNXSRU-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145866
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)ccc(Cl)c1	PC-id_44053411	461.364	TZLCOOGQNPAEIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145867
n12c(=O)c(=Cc3ccc(cc3)N(C)C)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-3752231754	461.364	BUCAWGVTYNXSRU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145869
Clc1c(Cn2nc(c3c2sc(c3)C(=O)NCc2n3CCCc3nn2)C)ccc(Cl)c1	PC-id_30093451	461.368	ILGOXESFHVZUGU-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-145870
Brc1c(NC(=O)CN(CCC(=O)Nc2sc3CCCc3c2C#N)C)cccc1	PC-id_24681283	461.375	GPCKAEOPIQTEKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145871
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)c(oc2I)[Si](C)(C)C	PC-id_122203613	461.39	CHBBQDKBVPLITF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145872
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_322629185,MCULE-4138578774	461.415	BNCGZFJEOCDGBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145873
Brc1sc(S(=O)(=O)N2CCN(CC2)C(=O)c2sc3c(CCC3)c2)cc1	PC-id_37353529	461.417	IXDYNNKXYJCCDZ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-145874
Clc1ccc(C(C(NC(=O)Cc2[n+]3CCNc3sc2)C)Cc2ccc(Cl)cc2)cc1	PC-id_23404769	461.427	NPVWJVDMSVGIEI-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-145875
Clc1ccc([C@H]([C@H](NC(=O)Cc2[n+]3CCNc3sc2)C)Cc2ccc(Cl)cc2)cc1	PC-id_60054177	461.427	NPVWJVDMSVGIEI-VFNWGFHPSA-O	00000010100000110001000010000000000000000000000000000000	25-01-145876
OC(=O)c1cc(n2ncc(c2N/N=C/C(=Nn3c2nnc3C)C(C)(C)C)C#N)cc(c1)C(=O)O	PC-id_59235568	461.433	XZDDICWKOWKIMZ-MYYYXRDXSA-N	00000011100000110001100010000000000000000000000000000000	25-01-145877
OC(=O)c1cc(n2ncc(c2NN=C2C(=Nn3c2nnc3C)C(C)(C)C)C#N)cc(c1)C(=O)O	PC-id_70902346	461.433	XZDDICWKOWKIMZ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-145878
OC(=O)c1cc(n2ncc(c2N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)C#N)cc(c1)C(=O)O	PC-id_59235630	461.433	RTEPKALIPSFTRC-MYYYXRDXSA-N	00000011100000110001100010000000000000000000000000000000	25-01-145879
OC(=O)c1cc(n2ncc(c2NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)C#N)cc(c1)C(=O)O	PC-id_70902343	461.433	RTEPKALIPSFTRC-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-145880
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1cc(c(cc1F)F)F	PC-id_134302797,SCHEMBL19920508	461.437	GOAPCXAFNDVEQT-SXGWCWSVSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145881
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1c(c(c(cc1)F)F)F	PC-id_134302894,SCHEMBL19920610	461.437	QRMZVWRSVKGBER-ZROIWOOFSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145882
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC)C(=O)N	PC-id_45678551	461.445	PDXLJBPHUKDVOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145883
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(F)cc(c1)C#N	PC-id_134285299,BindingDB-id_799426,SCHEMBL19901024	461.448	NQSAUJWCHSEKTA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145884
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C(=O)Nc1cc(c(cc1)F)C#N	PC-id_134605029,SCHEMBL20259592	461.448	VCWDAJRPFNCBFX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-145885
COc1ccc(CCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1OC	EMOLS-id_324891147	461.457	XLXNRZBVAILQGC-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145886
COc1ccc(CCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1OC	EMOLS-id_324891659	461.457	CRUGSGHWFNXIIY-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145887
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(cc4)C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324891650	461.457	YCGFCWDLQYDZJC-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-145888
COc1ccc(OCCCc2nc3s/c(=Cc4ccccc4C(F)(F)F)/c(=O)n3n2)cc1	EMOLS-id_324892162	461.457	RYKYLSHHUKOEKE-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-145889
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-1446659778	461.457	CRUGSGHWFNXIIY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145890
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-5675981970	461.457	XLXNRZBVAILQGC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145891
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCCOc1ccc(OC)cc1	MCULE-2680017699	461.457	YCGFCWDLQYDZJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145892
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCCOc1ccc(OC)cc1	MCULE-7845328372	461.457	RYKYLSHHUKOEKE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-145893
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_16947574	461.457	DCNGUINYOVNRFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145894
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(C)Sc1nc(cc(=O)[nH]1)C(F)(F)F	PC-id_136630470	461.478	SBESHZGKHZKEKW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-145895
O=C(NNC(=O)c1sc2c(c1)CCC2)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F	PC-id_27684429,EMOLS-id_25001447,CoCoCo_3440016,MCULE-4187870201	461.478	KZYLAONRMCZCAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145896
NCc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370396,PC-id_67008705	461.485	HKUWZDYCEGDWMY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145897
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)Nc1cccc(c1)F	PC-id_68654593,SCHEMBL3468583	461.487	OYTOHRBEMSHEQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145898
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1)C(=O)OCC	PC-id_24343244	461.488	MNKVYBHLMLMZAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145899
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N(C)C)ccc([N+](=O)[O-])c1)C(=O)OCC	PC-id_45665952	461.488	UFTOZHYZZALGLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145900
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNc1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_55518147	461.488	DAPRXIBBALXVFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145901
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)cc1)C(=O)N	PC-id_41568750	461.488	AEIMKRXDPCGFSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145902
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_4121676	461.488	BHYWKSIDIQKKIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145903
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_6015130	461.488	BHYWKSIDIQKKIS-LSHDLFTRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145904
s1c2c(CCC2)c(c1Nc1nc(N2CCC(CC2)C(=O)OC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127556	461.495	CCIVCDUAQAZEMI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-145905
C(=O)(C(=O)O)O.c12c(scc1)CC(C2=O)CCN1CCC(C(=O)c2ccc(cc2)F)CC1	CHEMBL92673	461.503	YTHLLDFGENBEDV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145906
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_26007549,CoCoCo_2811489,ZINC22_14242589	461.506	AQXJWPJUFJKWLS-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145907
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_14242590,CoCoCo_2811490,PC-id_16567070	461.506	AQXJWPJUFJKWLS-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145908
COc1ccc(cc1)C(=O)CC1CCn2c1c(cc2C(=O)c1ccc(cc1)OC)C(=O)OCC	CT-id_1543642	461.506	SWMFXPMEOJAQFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145909
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)C(C(C)C)NC(=O)c1ccccc1F	EMOLS-id_43686402,MCULE-4967619844,PC-id_3621568	461.506	AQXJWPJUFJKWLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145910
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2cccc(F)c2)sc2c(CCC2)c1C#N	MCULE-5370561949	461.508	ZZJLUIBOYSYCRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145911
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccc(F)cc2)sc2c(CCC2)c1C#N	MCULE-6389400449	461.508	DTSAKMHYKXCAQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145912
Fc1cccc(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)c1	EMOLS-id_323189182	461.508	ZZJLUIBOYSYCRH-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145913
Fc1ccc(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)cc1	EMOLS-id_323174514	461.508	DTSAKMHYKXCAQO-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145914
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(F)cc3)n(nc2C1)CC(=O)NCCOC	PC-id_44052963	461.51	ZZXWQYQHVKVFBA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145915
OCn1c(nnc1Cc1ccccc1)SC(C(=O)Oc1sc2c(c1C(=O)O)CCC2)O	SCHEMBL21082464,PC-id_138706203	461.511	KIZKBHRJMBAUQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145916
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(cc1)C)C(=O)OC	PC-id_3260443	461.511	UEZXVPBWRCWXID-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145917
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(cccc1)C)C(=O)OC	PC-id_3422391	461.511	QQLAUJHLEXDSFU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145918
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(ccc1)C)C(=O)OC	PC-id_3638277	461.511	GZEIKHFXSXKNKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145919
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccccc1)C(=O)OCC	PC-id_4142554	461.511	IVJUPVNUUYMMCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145920
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)Cc1ccccc1)C(=O)OC	PC-id_4099683	461.511	YAABODUOMZISRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145921
CCCCNC(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)N(c1ccc(cc1)OC)C=O	PC-id_141257337	461.513	QMDCCLXEWRPCPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145922
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCOCC1)c1ccccc1	SCHEMBL1379851,PC-id_11363187	461.513	CGPVXCZGMQFMDS-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145923
O(C(CC)C(=O)Nc1nn2c(C(C(=C2)C(=O)OCC)C#N)c1C#N)c1c(CC)cc(cc1)CC	PC-id_20665575	461.513	ZKBQTXKLKAYFJT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-145924
O=C(N1Cc2n(nc(NC(=O)c3ccc(OC)cc3)c2C1)C(=O)c1ccccc1)NCCCC	PC-id_54767815	461.513	RDZWOYWXUDQMDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145925
CCOC(=O)c1cnc(SCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)nc1N	PC-id_16287234,ZINC22_9469662,CoCoCo_3902293,MCULE-7660580502,EMOLS-id_43917403	461.515	UHZZQBLTYSJTIB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-145926
COc1ccc(cc1)NC(=O)C1(CCCCC1)N(C1=Nc2n(C1)nnn2)c1ccc(cc1)OC	SCHEMBL20401752,PC-id_135242429	461.516	BVYDNTMUKNIZKX-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-145927
N#CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CCCC1)C#N	PC-id_143492485	461.516	XIQQTBZEHWKILV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145928
O=C(NCc1nnc2n1C[C@H](C(=O)N[C@H]1CCN(c3ccccn3)C1)C2)OCc1ccccc1	ZINC22_2325874701	461.516	XTSZPBFUSBGDPW-MOPGFXCFSA-N	00000010100000111001100010000000000000000000000000000000	25-01-145929
O=C(NCc1nnc2n1C[C@@H](C(=O)N[C@H]1CCN(c3ccccn3)C1)C2)OCc1ccccc1	ZINC22_2325874702	461.516	XTSZPBFUSBGDPW-OALUTQOASA-N	00000010100000111001100010000000000000000000000000000000	25-01-145930
O=C(NCc1nnc2n1C[C@@H](C(=O)N[C@@H]1CCN(c3ccccn3)C1)C2)OCc1ccccc1	ZINC22_2325874703	461.516	XTSZPBFUSBGDPW-RBUKOAKNSA-N	00000010100000111001100010000000000000000000000000000000	25-01-145931
O=C(NCc1nnc2n1C[C@H](C(=O)N[C@@H]1CCN(c3ccccn3)C1)C2)OCc1ccccc1	ZINC22_2325874704	461.516	XTSZPBFUSBGDPW-RTBURBONSA-N	00000010100000111001100010000000000000000000000000000000	25-01-145932
s1c2c(CCC2)c(c1NC(=O)CN(C1CC1)Cc1cc(OCC)c(OC(F)F)cc1)C#N	PC-id_24492586	461.525	AYRKJKTXOVGEHY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-145933
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(c(OC)c1)OCC)C(=O)OC	PC-id_19221788,MCULE-2498117294	461.528	MDSODWWVEJHATJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145934
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC(C)C)cc1)C(=O)OCC	PC-id_16501057	461.528	IAOYIFVHCCRCHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145935
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCCOc1ccc(OC)cc1)C(=O)OCC	PC-id_4602730	461.528	LFFVSDCIHLUPCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145936
FC1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C	SCHEMBL2919645,PC-id_11167110	461.531	OOVDVPOUMZDRSK-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145937
OCC(C1CCC1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729953,PC-id_118368790	461.531	AZYHKCBDUMXQMW-LMNIDFBRSA-N	00001010100000000001000010000000000000000000000000000000	25-01-145938
s1c2c(CCC2)c(c1NC(=O)CNc1cc(NC(=O)OCCOC)ccc1)C(=O)OCC	PC-id_56098625	461.531	ZHMVVUWFYWWMQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145939
c1(NC(=O)c2cc(on2)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7511067892,EMOLS-id_10101498,ZINC22_27582396,PC-id_17011653,TIMTEC369031,CoCoCo_2255350	461.533	OXIQEVYETSLOKZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-145940
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1323449131	461.533	NNGCUNZFHBXBLI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145941
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2277741311	461.533	UVIPPBPVHXSMQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145942
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C#N	MCULE-3940506960,EMOLS-id_323172269	461.533	WZECKBIMRQDQCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145943
c1(NC(=O)COc2cccc(c2)NC(=O)Cc2ccc(cc2)OC)sc2c(CCC2)c1C#N	MCULE-3005384146,EMOLS-id_323179585	461.533	YWQIPVHHOSDADT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145944
c1(NC(=O)COc2cccc(c2)NC(=O)COc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_323180635,MCULE-4953326977	461.533	KWFALWSRWITPEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145945
[O-][N+](=O)c1cccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)c1	EMOLS-id_334329766	461.533	NNGCUNZFHBXBLI-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145946
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334328494	461.533	UVIPPBPVHXSMQF-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145947
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccccc1)C(=O)NCc1occc1	PC-id_52087760	461.533	FUROLXYPMCWRBV-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-145948
s1c2CCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)Nc1c(OCC)cccc1)C#N	PC-id_1662693	461.533	CRCZZPJWOUJVNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145949
s1c2CCCc2c(c1NC(=O)COc1ccc(C(=O)Nc2cc(ccc2OC)C)cc1)C#N	PC-id_1672775	461.533	WSKLZUFTGPQSEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145950
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1c(F)cccc1)C(=O)OCC	PC-id_2558451	461.533	XCDDZOZAMWGTHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-145951
c1(NC(=O)COc2nonc2CC(=O)NCCCOCCCC)sc2CCCc2c1C#N	MCULE-2810555776,EMOLS-id_333682783	461.535	PGNQTYFFEQIABN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-145952
S(=O)(=O)(N1CCN(CC1)C(=O)OCC)c1ccc(C(=O)Nc2n(nc3c2CCC3)C)cc1	PC-id_45536295	461.535	BLUPDQGNYGKOJW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145953
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2C)C)sc2c(CCC2)c1C#N	EMOLS-id_321902589,MCULE-5958909994	461.536	XJXNYXJYCJVBOL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145954
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2CC)sc2c(CCC2)c1C#N	MCULE-4542719990,EMOLS-id_321904634	461.536	SUSCNHVSTCVQPO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145955
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(C)c2C)sc2c(CCC2)c1C#N	EMOLS-id_321902331,MCULE-7643922245	461.536	MBLLRPGQDUQHBS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145956
c1(NC(=O)COc2cccnc2NC(=O)Nc2cc(cc(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_321903101,MCULE-2626123584	461.536	CFXOTRCLSTVQCN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145957
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_321903611,MCULE-7279969425	461.536	ZGELVGSQCZPRTJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145958
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(C)cccc2C)sc2c(CCC2)c1C#N	MCULE-3688403984,EMOLS-id_321903612	461.536	IZPUEIJNASQWEL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145959
c1(NC(=O)COc2cccnc2NC(=O)Nc2cc(C)ccc2C)sc2c(CCC2)c1C#N	MCULE-8731096386,EMOLS-id_321902843	461.536	SJUHDHOIVUTXER-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145960
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(CC)cc2)sc2c(CCC2)c1C#N	MCULE-1572062265,EMOLS-id_321901821	461.536	FCSRICQSTAMWFJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145961
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccc(C)cc2)sc2c(CCC2)c1C#N	MCULE-2888755483,EMOLS-id_321872761	461.536	KBLOTEYMVYSAME-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145962
c1(NC(=O)COc2cccnc2NC(=O)N(C)Cc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321856953,MCULE-8661144285	461.536	JSFKIEVKQTWONB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145963
c1(NC(=O)COc2cccnc2NC(=O)NCCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-1709591754,EMOLS-id_321874808	461.536	IUNYKUFFXKAVSG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145964
c1(NC(=O)COc2cccnc2NC(=O)NC(C)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-2378614192,EMOLS-id_321874297	461.536	NTHLEAZMMCBYLY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145965
c1(NC(=O)COc2cccnc2NC(=O)N(CC)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-4974335683,EMOLS-id_321856698	461.536	RCARXVDZMBDJFD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-145966
C[N@@H+]1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)[C@@H](c1ccccc1)O	GD-id_ZINC14951637,PC-id_72199518	461.536	KGHHVSJZWGWWDG-JOCHJYFZSA-O	00000010100010110001100010000000000000000000000000000000	25-01-145967
O=C(Nc1nnc(s1)SCC(=O)Nc1ccccc1)CS[C@@H]1N=Nc2n1ncc2N	CoCoCo_1939485,PC-id_92375815	461.544	MLZCZJMEYXGCGW-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-145968
O=C(Nc1nnc(s1)SCC(=O)Nc1ccccc1)CS[C@H]1N=Nc2n1ncc2N	PC-id_92652685,CoCoCo_1939486	461.544	MLZCZJMEYXGCGW-HNNXBMFYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-145969
S(C1n2ncc(N)c2N=N1)CC(=O)Nc1sc(SCC(=O)Nc2ccccc2)nn1	PC-id_3269375	461.544	MLZCZJMEYXGCGW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-145970
S(c1n2N=CC(N)c2nn1)CC(=O)Nc1sc(SCC(=O)Nc2ccccc2)nn1	PC-id_3990510	461.544	WHPGWWRDQXYOPL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-145971
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(SC)cc1)C(=O)OC	PC-id_24376957	461.551	YQFZOYJPXLOTDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145972
CC1=C(c2c(C1N(c1c(cc(cc1C(C)C)Br)C(C)C)[Si](C)C)scc2)C	PC-id_90974783	461.553	CCFAIKRYEUOVNA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-145973
CC1=C(c2c(C1[Si](C)N(C)c1c(cc(cc1C(C)C)Br)C(C)C)scc2)C	PC-id_90728182	461.553	LDFUIDAROAIMEP-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-145974
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCC(CC2)O)sc2CCCc2c1C#N	MCULE-1234859864,EMOLS-id_333772628	461.554	BJGNZNYHOBKTAF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145975
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(OC)c(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_320720211,MCULE-3481072656	461.554	AQVRPEAXUWMYIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145976
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cccc(c1)NC(=O)C1CCOCC1	PC-id_89237135,SCHEMBL14055705	461.554	CREHATZDGFMLKP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145977
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)C1CCOCC1	PC-id_89238807,SCHEMBL14057620	461.554	WBSVIMQKEILXAN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-145978
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1sc2c(c1C#N)CCC2	BindingDB_PC-id_44324493,CHEMBL91823,PC-id_44324493	461.554	HRRFQNORLZCSAX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-145979
CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2	MCULE-2695382111,CoCoCo_2879744,ZINC22_9387901,EMOLS-id_3480485,PC-id_4857548	461.554	SNSLRMUXURGSFA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-145980
COc1ccc(cc1OC)S(=O)(=O)N1CCCC1C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_182621011,MCULE-6261451333,PC-id_108802692	461.554	YJPZQBPWMOHMGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145981
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C#N	PC-id_16527694	461.554	QSZQSLIPJPDAMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145982
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1)C#N	PC-id_16521295	461.554	RZALFYADFUPZRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145983
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SCC(=O)N(C)C)cccc1)C(=O)N	PC-id_27561057	461.554	MVAFHECTYNNOMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145984
CN(C[C@@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)Cc1ccccc1)C	SCHEMBL1205823,PC-id_58015711	461.556	MMXNESVUDDMDDG-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145985
CN(CC(OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)Cc1ccccc1)C	SCHEMBL1205825,PC-id_66941613	461.556	MMXNESVUDDMDDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-145986
COc1cc(/C=c/2sc3nc(Cc4cccs4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324835056	461.556	SGDALWOAICSHBT-BKUYFWCQSA-N	00000000100100110001000010000000000000000000000000000000	25-01-145987
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)Cc1cccs1	MCULE-2855438513	461.556	SGDALWOAICSHBT-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-145988
O1C(CCCN2CCN(CC2)Cc2ccc(cc2)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5540064,PC-id_69480728	461.556	STFGJYUPBCHWHA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-145989
COCCN(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)Cc1nnc(c2cccs2)o1	MCULE-5604321418,EMOLS-id_11838242,PC-id_16378716,CoCoCo_3595315,CoCoCo_3595316,ZINC22_10022209	461.558	REKISDFZTIFTRZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-145990
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2N(C(=O)c1ccccn1)C)C	SCHEMBL14521362,PC-id_71191362	461.559	JXEMWALVIQLBNG-HXUWFJFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-145991
N#Cc1c(NC(=O)CSc2nnc(c3ccccc3)n2Cc2ccco2)sc2c1CCC2	ZINC22_8966263,EMOLS-id_48946673,PC-id_16317338,CoCoCo_3640656,MCULE-5813819045	461.559	NQDQEOWLUUKGAX-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-145992
N#Cc1c(NC(=O)CSc2nnc(c3ccco3)n2Cc2ccccc2)sc2c1CCC2	EMOLS-id_3386609,ZINC22_3405392,PC-id_2524165,CoCoCo_2799088,MCULE-9266795487	461.559	PPCPTHZAFUPNNY-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-145993
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(n2nc(cc2C)C)nn1)C(=O)OCC	PC-id_55426696	461.561	OUFRYBSMWVBMDE-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-145994
C(=Cc1ccc(cc1)OCC)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-9055238356	461.573	BPDPHLLJNJIQKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145995
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OCC)cc2)/c2ccccc2)sc2CCCc12	EMOLS-id_327875222	461.573	BPDPHLLJNJIQKJ-OQKWZONESA-N	00000010100000110000000010000000000000000000000000000000	25-01-145996
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c([S@](=O)c2ccccc2)n2c1CCC2	CoCoCo_5637270,LI_75553,ZINC22_16943055,PC-id_92524473	461.574	YJVDAMCJLHCYPR-JGCGQSQUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145997
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c([S@@](=O)c2ccccc2)n2c1CCC2	NSC383343,ZINC22_5664570,CoCoCo_5637269,PC-id_92273246	461.574	YJVDAMCJLHCYPR-YTTGMZPUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-145998
CCOC(=O)c1c(c2cccs2)csc1NC(=O)COC(=O)c1cc2c(s1)CCC2	MCULE-6921981042,PC-id_2547082,CoCoCo_2840751,ZINC22_3427653,EMOLS-id_44511889	461.574	ODGXANIBDOFMRN-UHFFFAOYSA-N	00000010100100000000100010000000000000000000000000000000	25-01-145999
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCC(CC1)C(=O)N	PC-id_31436305	461.574	JZZCFGZWXSFANC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146000
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NC1CCCC1	PC-id_41733038	461.574	MNGROSHZUSTNQZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146001
S(=O)(c1n2c(CCC2)c(c1COC(=O)NC(C)C)COC(=O)NC(C)C)c1ccccc1	PC-id_343562	461.574	YJVDAMCJLHCYPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146002
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCc2ccccc2)sc2CCCc2c1C#N	MCULE-4075842325,EMOLS-id_331631299	461.576	FZBQTIYKCGJXJF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146003
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OCC	ZINC22_16805846,EMOLS-id_45964937	461.576	VBHFODGCRWBKFH-IIUJZJEXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146004
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC	ZINC22_16736126,EMOLS-id_45965039	461.576	NPXIMVIWOKGNFE-NLSZJBPJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146005
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OCCC(C)C	EMOLS-id_45964939,ZINC22_16735825	461.576	QIWDAUBBQQFRMZ-ZPQVUCSJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146006
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC(C)C)c2=O)C=Cc1ccc(cc1)C	MCULE-1931116220	461.576	QRSLLOORYZBDFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146007
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-2541293685	461.576	NPXIMVIWOKGNFE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146008
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCC)c2=O)C=Cc1ccccc1	MCULE-8209403802	461.576	LWTKJEONWNGAQG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146009
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-6622661106	461.576	NIPAMZCUPLNCGK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146010
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC(C)C)c2=O)C=Cc1ccccc1	MCULE-8859592315	461.576	QIWDAUBBQQFRMZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146011
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCCC)c2=O)C=Cc1ccccc1	MCULE-9286135459	461.576	VBHFODGCRWBKFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146012
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)C=Cc1sccc1)C(=O)OCC	PC-id_4252140	461.578	XHZIHXMCAYKBTM-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-146013
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)/C=C/c1sccc1)C(=O)OCC	PC-id_6048863	461.578	XHZIHXMCAYKBTM-CMDGGOBGSA-N	00000010100100000001000010000000000000000000000000000000	25-01-146014
Fc1ccc(c(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882914	461.58	PTRGTNIOEWJINM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146015
Fc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_140882951	461.58	OCBHGLBNLGDHPB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146016
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cccc(c1F)F	PC-id_140882907	461.58	IHXKJKWMGHBVLG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146017
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(F)cccc1F	PC-id_140882946	461.58	REUDLGZSPAMDIH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146018
COc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)s2)cc1	MCULE-2532868257,EMOLS-id_17160605,CoCoCo_3023264,PC-id_4209712,ZINC22_10786451	461.581	DZHYUNXPCGGPTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146019
s1c2c(CCC2)c(c1NC(=O)CSc1sc(Nc2cc(OC)ccc2)nn1)C(=O)N	PC-id_41433037	461.581	DPDRHJMJUGUNFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146020
s1c2c(CCC2)c(c1NC(=O)CSc1sc(Nc2c(OC)cccc2)nn1)C(=O)N	PC-id_35729968	461.581	ICVUXZONCAFNLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146021
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1sc(SCC)nn1	PC-id_16947935	461.581	ZYJYTWYFXZZKEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146022
s1c2CCCc2c(c1NC(=O)CSc1nc(c(c(c1C#N)c1sccc1)C#N)C)C#N	PC-id_3394435	461.582	ZJBMJKIFWRFLGJ-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-146023
Cc1c(cccc1F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195422,SCHEMBL20348552	461.596	SXFPTDRKOWGECY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146024
Cc1c(ccc(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195451,SCHEMBL20348583	461.596	LNIANMUOQAUNAD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146025
Cc1c(cc(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195453,SCHEMBL20348585	461.596	JWKSRUCJIKZMRX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146026
Cc1cc(c(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195455,SCHEMBL20348587	461.596	GDKROGYDCMEGMB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146027
Cc1c(c(ccc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195474,SCHEMBL20348606	461.596	BPSGDQUCUPDPQR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146028
Cc1ccc(c(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195476,SCHEMBL20348608	461.596	HAUPBWAMTHLBOV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146029
Cc1c(c(ccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)F	SCHEMBL20348505,PC-id_135195380	461.596	IFHJYFDFHXUCIX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146030
CCc1c(c(ccc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C	PC-id_134426840,SCHEMBL20060452	461.596	CDBWNKSSNFTPJR-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-146031
CCS(C1(CCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1F)(C)C	SCHEMBL20060439,PC-id_134426828	461.596	UOLGDRDPODRXEB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146032
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)C)sc2c(CCC2)c1C(=O)NC	CoCoCo_5058644,PC-id_16031451,CHEMBL1354680,ZINC22_8600641,MCULE-5298583546,EMOLS-id_22708550	461.597	ZRBSEAKPKFHXNL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146033
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)sc2c(CCC2)c1C(=O)NC	MCULE-3467627407,EMOLS-id_16349115,CoCoCo_2590263,ZINC22_15822828,PC-id_22582888	461.597	FCZANDKPMTXDKZ-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-146034
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCCC)CC)sc2CCCc2c1C#N	EMOLS-id_333771347,MCULE-4041591411	461.597	LUOLFBLLXWMKCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146035
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCC)CCC)sc2CCCc2c1C#N	MCULE-4703187816,EMOLS-id_333774675	461.597	KFXMNCHDHWZHAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146036
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCO)sc2CCCc2c1C#N	EMOLS-id_331790264,MCULE-6959681043	461.597	WTYRAGRFYOEBFN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146037
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCO)sc2CCCc2c1C#N	EMOLS-id_331790268,MCULE-6162364549	461.597	LXRZFDRHDSUPAT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146038
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CC(C)O)sc2CCCc2c1C#N	MCULE-4825736866,EMOLS-id_331789494	461.597	XRUFEJSDHLCGCN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146039
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331791536,MCULE-4944913599	461.597	BCLLAUUEFAEXTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146040
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCOC)sc2CCCc2c1C#N	MCULE-3508355811,EMOLS-id_331785406	461.597	IWQXKZDHSHNCFX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146041
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCC)sc2CCCc2c1C#N	EMOLS-id_331784639,MCULE-9343330341	461.597	DDSOTTPDAYQHJL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146042
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CC(C)C)sc2CCCc2c1C#N	MCULE-9662365456,EMOLS-id_331787197	461.597	UHQXHSLCCJLIJR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146043
CC1CC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-1174367690,PC-id_42905571,EMOLS-id_24159750	461.597	JWDZBIVFSXIRQQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146044
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_5031925	461.597	UTCOVFKOVLDZNF-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146045
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_5031926	461.597	UTCOVFKOVLDZNF-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146046
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C(=O)N)CCC4)c2)C1	CoCoCo_3218625,PC-id_25700259,ZINC22_13070309	461.597	JWDZBIVFSXIRQQ-OKILXGFUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146047
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C(=O)N)CCC4)c2)C1	CoCoCo_3218626,PC-id_25700258,ZINC22_13070305	461.597	JWDZBIVFSXIRQQ-ZIAGYGMSSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146048
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C(=O)N)CCC4)c2)C1	ZINC22_13070312,PC-id_25700260,CoCoCo_3218624	461.597	JWDZBIVFSXIRQQ-KBPBESRZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146049
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2C)sc2CCCc12	MCULE-6815143228,CHEMBL1560876,EMOLS-id_22708554,PC-id_16031137	461.597	PTDJKJCZGYQWPE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146050
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC(C)C2)sc2CCCc12	EMOLS-id_22708552,MCULE-8945802112,PC-id_16031135,CHEMBL1435796	461.597	TWYLGNRUTLFWAM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146051
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CCC2	CoCoCo_5058647,ZINC22_8600190,PC-id_40774836	461.597	PTDJKJCZGYQWPE-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146052
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CCC2	PC-id_40774837,ZINC22_8600192,CoCoCo_5058648	461.597	PTDJKJCZGYQWPE-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146053
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CCC2	CoCoCo_5058645,ZINC22_8600181,PC-id_40774834	461.597	TWYLGNRUTLFWAM-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146054
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2c1CCC2	PC-id_40774835,ZINC22_8600183,CoCoCo_5058646	461.597	TWYLGNRUTLFWAM-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146055
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)CCC(=O)NNC(=O)c1sc2CCCc2c1	PC-id_27684518	461.597	YARNDDOYOSXFEZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146056
S(=O)(=O)(N1C(CCCC1)CC)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_16030657,CHEMBL1434400	461.597	UTCOVFKOVLDZNF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146057
Cc1ncc2n1C(=O)N(C2)CCC1CCN(CC1)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C	PC-id_91465240	461.598	DRIGOVSIYJYMNJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146058
O=C(N1CCC(CC1)CCN1Cc2n(C1=O)c(nc2)C)[C@H](N(C(C)(C)C)C(=O)O)C(C)(C)C	PC-id_68646935,SCHEMBL3449035	461.598	OJFZDYMUTAGZMD-IBGZPJMESA-N	00000010100010000001000010000000000000000000000000000000	25-01-146059
O=C(N1CCC(CC1)CCN1Cc2n(C1=O)c(nc2)C)C(N(C(C)(C)C)C(=O)O)C(C)(C)C	PC-id_77532870	461.598	OJFZDYMUTAGZMD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146060
CC=C(C=CC=C)n1c(c2CCCc2n1)NC(=O)NC1CN(CC1c1ccccc1)CCOC	PC-id_89215872	461.599	YUMDMRMNCQLTDI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146061
COCCN1C[C@H](C(C1)c1ccccc1)NC(=O)Nc1c2CCCc2nn1/C(=C/C)/C=CC=C	SCHEMBL13975492	461.599	YUMDMRMNCQLTDI-RFIAQAPNSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146062
COCCN1C[C@H]([C@@H](C1)NC(=O)Nc1n(nc2c1CCC2)/C(=C/C=C)/C=CC)c1ccccc1	PC-id_144476860	461.599	SBGMTTYDYSCRJL-FALJYONFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146063
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_4131653,PC-id_40972447,CoCoCo_4131651,ZINC22_9217629	461.601	NMYCBKINOIGHFA-OAHLLOKOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-146064
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_40972449,ZINC22_9217630,CoCoCo_4131652,CoCoCo_4131654	461.601	NMYCBKINOIGHFA-HNNXBMFYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-146065
N#Cc1c(NC(=O)CN(Cc2c(C)nn(c2C)C2CCS(=O)(=O)C2)C)sc2c1CCC2	PC-id_16384490,EMOLS-id_11852449,MCULE-3940851023	461.601	NMYCBKINOIGHFA-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-146066
CCOC(=O)c1c(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)sc2c1CCC2	MCULE-3410016291,EMOLS-id_24956265,CoCoCo_4133636,PC-id_26666500,CoCoCo_4133637,ZINC22_15543924	461.617	MHRUHIXRUPNBAQ-UHFFFAOYSA-N	00000010100010000100000010000000000000000000000000000000	25-01-146067
s1c2c(CCC2)c(c1NC(=O)CN1CCC(NC(=O)C2CCCCC2)CC1)C(=O)OCC	PC-id_56172682	461.617	CSASLOKJYPODJE-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146068
s1c2CC[C@H](c2nc1CC)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2ccccc2)cc1	PC-id_76325667	461.619	MBASDDOGNAPLJY-AVJFOWIRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146069
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)CC(=O)N1CCCCCC1	PC-id_16348507,MCULE-8379722393,EMOLS-id_43982798	461.621	LTIMATCGUAFIAO-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-146070
C[C@@H]1C[C@H](C)CN(C1)C(=O)CN1CCN(CC1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4239891,PC-id_30633682,CoCoCo_4239892	461.621	NVEJFIGEHSCYFP-IYBDPMFKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146071
C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CCN(CC1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_30633689,CoCoCo_4239895,CoCoCo_4239896	461.621	NVEJFIGEHSCYFP-HOTGVXAUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146072
C[C@@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_30633695,CoCoCo_4239894,CoCoCo_4239893	461.621	NVEJFIGEHSCYFP-HZPDHXFCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146073
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)N2CCCCCC2)CC1	CoCoCo_4232400,PC-id_30628276,CoCoCo_4232399,ZINC22_22792016	461.621	LTIMATCGUAFIAO-INIZCTEOSA-N	00000010100010000101000010000000000000000000000000000000	25-01-146074
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC22_22792023,PC-id_30628283,CoCoCo_4232402,CoCoCo_4232401	461.621	LTIMATCGUAFIAO-MRXNPFEDSA-N	00000010100010000101000010000000000000000000000000000000	25-01-146075
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(S(C)(C)C)(C)C	PC-id_145072775	461.621	BECVWEJBUNCEIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146076
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(S(C)(C)C)(C)C	SCHEMBL19537466	461.621	BECVWEJBUNCEIE-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146077
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(NC(=O)NC2CCCCC2)CC1)C)C(=O)N	PC-id_56013434	461.621	CELSSSLLXWOKBZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146078
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC(=O)N2CC(CC(C2)C)C)CC1)C(=O)N	PC-id_16332254	461.621	NVEJFIGEHSCYFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146079
CC/C(=CC)/c1sc(c(c1)C(=O)N)NC(=O)CSc1nnc2n1/c(=C/C)/c(=CC)/s2	PC-id_143287631	461.624	STPOTHFLNLKDGN-OWGKUJBASA-N	00000000100100000001000010000000000000000000000000000000	25-01-146080
CCCCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2C)C)CCCCCCCC	PC-id_117750089,SCHEMBL16307283	461.743	NDWYYPCCDVGKTB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-146081
Clc1c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(Cl)ccc1Cl	PC-id_74594095	461.747	FVBHTNWCBWGTBK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146082
Clc1c(C(=O)O[C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(Cl)ccc1Cl	PC-id_29377506	461.747	FVBHTNWCBWGTBK-SSDOTTSWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146083
Clc1c(C(=O)O[C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(Cl)ccc1Cl	PC-id_29377509	461.747	FVBHTNWCBWGTBK-ZETCQYMHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146084
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OC	MCULE-5155521961,TIMTEC295620,EMOLS-id_8828171,PC-id_5134866	461.79	LTKSUYGNWFUNTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146085
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)OC	MCULE-5599175209,TIMTEC347605,PC-id_3101969,EMOLS-id_638712,BAS-00354932,STOCK1S-58265,SPECS-id_AT-225/NB93172	461.79	NZLVWATWXGKGDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146086
c1(NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_639196,BAS-00354930,MCULE-5302818696,STOCK1S-81632,PC-id_3101967,TIMTEC607282,SPECS-id_AT-225/NB93170	461.79	ZXIIQDQEGWWBGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146087
c1(NC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387487,MCULE-1583607096	461.79	OPCLQBCUWJEIRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146088
CCOC(=O)c1c(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_3711329,ZINC22_3204177,PC-id_2326915	461.79	OBPFSOIUBPOJTJ-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146089
CCOC(=O)c1c(N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_2326916,ZINC22_3204178,CoCoCo_3711330	461.79	OBPFSOIUBPOJTJ-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146090
CCOC(=O)c1c(sc2c1CCC2)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1	EMOLS-id_2898264,PC-id_3975508,MCULE-1254474514	461.79	OBPFSOIUBPOJTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146091
COC(=O)c1c(N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_1898289,ZINC22_2272660,CoCoCo_49061	461.79	NZLVWATWXGKGDL-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146092
COC(=O)c1c(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_2272661,PC-id_1898290,CoCoCo_49060	461.79	NZLVWATWXGKGDL-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146093
COC(=O)c1c(N[C@@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_6466850,PC-id_40459366,ZINC22_3212827	461.79	LTKSUYGNWFUNTK-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146094
COC(=O)c1c(N[C@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_3212829,CoCoCo_6466851,PC-id_40459367	461.79	LTKSUYGNWFUNTK-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146095
COC(=O)c1c(N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49056,PC-id_1098569,ZINC22_822206	461.79	ZXIIQDQEGWWBGP-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146096
COC(=O)c1c(N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49057,ZINC22_822205,PC-id_1098568	461.79	ZXIIQDQEGWWBGP-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146097
Clc1ccc(NC(=O)Nc2[n+]3C(=O)C(=Nc3[nH]n2)C(C(=O)C(C)C(=O)C(=O)OC)C)cc1	PC-id_51058881	461.836	OPZLSYNCDSSLFZ-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-146098
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(F)c(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333677815,MCULE-3144523596	461.854	DQHPJSAJWBNSBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146099
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)c([N+](=O)[O-])cc1	PC-id_44053291	461.879	KRURFBWQEHYSBQ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-146100
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc([N+](=O)[O-])cc1	PC-id_44053292	461.879	WHQUNKISPDUNHD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-146101
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc1	PC-id_44053293	461.879	MCVCCEYZUFGGEH-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-146102
CCOC(=O)c1cccc(c1)C(=O)c1c(CC)c(c2n1CCC2(C(=O)OC)C(=O)OC)Cl	SCHEMBL11261287,PC-id_54432470	461.892	WILAUYSIJSTWNL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146103
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OCC=Cc1cc(ccc1)Cl	PC-id_90917723	461.899	BASJVDIXBVORTO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146104
CC=CC1C(N(CCN1C(=O)O)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1cc(ccc1)Cl	PC-id_87925666	461.899	TZYPRTZRMAHEOY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146105
Clc1cc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2CC=C)C(=O)O)ccc1	PC-id_69635361	461.899	ILWLORRGDPRYRZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146106
Clc1cc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN([C@H]2C=CC)C(=O)O)ccc1	PC-id_69635365	461.899	TZYPRTZRMAHEOY-AFJQURTJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146107
Clc1cc(C=CCC2N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)ccc1	PC-id_69635358	461.899	XGFATAHTVZENSE-LFABVHOISA-N	00000010100010110001000010000000000000000000000000000000	25-01-146108
Clc1cc(C=CCC2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)ccc1	PC-id_77712976	461.899	XGFATAHTVZENSE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146109
Clc1ccc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_24325255	461.919	LPVSKJMSTYFQLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146110
Clc1ccc([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_29156044	461.919	LPVSKJMSTYFQLA-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146111
Clc1ccc([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_29156045	461.919	LPVSKJMSTYFQLA-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146112
COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=Cc1ccc(o1)c1ccccc1Cl)/c2=O	STOCK4S-44625,EMOLS-id_26341251,ZINC22_9281136	461.92	RXARIWGGEKRGAA-DOJIRPKPSA-N	00000000101000110001100010000000000000000000000000000000	25-01-146113
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-5657308092	461.92	QQIIJJXKZIBQRG-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-146114
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-5662336237	461.92	RXARIWGGEKRGAA-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-146115
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-1154223191	461.92	ZPHFCPWJQWTAPJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-146116
COc1ccc(cc1)NC(=O)C1CCc2nnc(n12)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134798098	461.922	BCMHXKXAIHHKBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146117
Fc1cccc(Cl)c1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324831988	461.938	GZLDIQFESLJCLW-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146118
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3387285257	461.938	GZLDIQFESLJCLW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146119
Clc1ccc(cc1)CCCCC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_23081430,SCHEMBL5538852	461.942	PDOCCYICOGRBFP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146120
Clc1ccc(cc1)CCCCC(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5538846,PC-id_69480346	461.942	PDOCCYICOGRBFP-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146121
Clc1ccc(cc1)CCCCC(=O)N1CCNC[C@@H]1C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_141619667	461.942	JAKDIPUYFURBPG-AVRDEDQJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146122
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1c(cc(cc1)F)F	PC-id_134167012,SCHEMBL19767352	461.955	AADRKYRKXUPVBI-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146123
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl)C(=O)NO	SCHEMBL20340253,PC-id_135188096	461.962	KICRMVYGJZBQSM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146124
C1CCC([C@@H](C1)C(=O)NO)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	PC-id_135200346,SCHEMBL20353928	461.962	KICRMVYGJZBQSM-YSSOQSIOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146125
C1CC[C@H]([C@H](C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl)C(=O)NO	PC-id_135200345,SCHEMBL20353927	461.962	KICRMVYGJZBQSM-LSDHHAIUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146126
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4812224328,EMOLS-id_334334628	461.962	PATUCNBEWCVKCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146127
Clc1ccc(C(=O)Nc2sc3c(n2)C(CC3)C(=O)N2CC(CCC2)C(=O)OCC)cc1	PC-id_16947342	461.962	OQRPLTGIWSYSQF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146128
Clc1ccc(C(=O)Nc2sc3c(n2)C(CC3)C(=O)N2CCC(CC2)C(=O)OCC)cc1	PC-id_16947343	461.962	SEEMJBJPTIJIAF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146129
Clc1c(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_24446325	461.962	YWRAFUMBCDYWAO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146130
Clc1ncccc1NC(=O)COC(=O)c1c2CCCc2sc1NC(=O)C1CCCCC1	PC-id_45663321	461.962	CRDRNPUTUQKRIR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-146131
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc1	PC-id_44052929	461.965	MKHFUEOUQKMUPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146132
Clc1ccc(NC(=O)C2CCCN(C2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)nc1	PC-id_55994380	461.965	XLKMDXAMWVACKB-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-146133
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CCCC2)cc1	PC-id_77218675	461.965	CMQQXKHGKAIALV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146134
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)CCCC2)cc1	SCHEMBL1503752,PC-id_67056421	461.965	CMQQXKHGKAIALV-LSDHHAIUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146135
Clc1c(cc(OCc2cc(sc2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1)C	PC-id_19483307	461.981	APFVTYLVVNWJGS-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-146136
Clc1cc(c(OCc2cc(sc2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1)C	PC-id_19486670	461.981	XVVDDDRFZASBFI-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-146137
Clc1c(OCc2cc(sc2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(cc1)C	PC-id_19488800	461.981	WREGFWNHYBLHOP-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-146138
CC(COc1ccccc1CNC(=O)c1c2CN(Cc2c(n1C)Cl)C(=O)OC(C)(C)C)C	PC-id_145976660	461.982	SBLBZIGASSBPMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146139
Clc1ccc(C2NC(=S)NC(=C2C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_5034605,EMOLS-id_3241958,MCULE-2230423211	461.985	GPYWTLPRHNSXJC-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-146140
Clc1ccc(C2NC(=S)NC(=C)C2C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_78260505	461.985	WZCINEDELDTMOT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146141
Clc1ccc(cc1)C(=O)N1CC[NH+](CC1)[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC23005178	461.985	WQTVYCXVQNTJHK-CYBMUJFWSA-O	00000010100010110001000010000000000000000000000000000000	25-01-146142
Clc1ccc([C@H]2NC(=S)NC(=C)[C@H]2C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_2128273	461.985	WZCINEDELDTMOT-NVXWUHKLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146143
COC(=O)c1c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2)sc2c1CCC2	CoCoCo_3608480,ZINC22_9662336,PC-id_41166007	461.985	GPYWTLPRHNSXJC-KRWDZBQOSA-N	00000010100011110001100010000000000000000000000000000000	25-01-146144
COC(=O)c1c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2)sc2c1CCC2	CoCoCo_3608481,PC-id_41166008,ZINC22_9662337	461.985	GPYWTLPRHNSXJC-QGZVFWFLSA-N	00000010100011110001100010000000000000000000000000000000	25-01-146145
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)CN(C2)Cc1ccc(cc1)Cl	PC-id_144742149	461.985	ISYLTSHOQNJEKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146146
CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccc(Cl)cc1	ZINC22_2640435,MCULE-3143921535,CoCoCo_2841074,SCHEMBL21045441,PC-id_2103352,EMOLS-id_3211224	461.988	QLLJRHDHMWDZLT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146147
c1(c(Cl)c(n(C)n1)C)c1nnc(SCC(=O)Nc2sc3c(CCC3)c2C#N)n1CC	ZINC22_2782686,EMOLS-id_4146468,MCULE-4102140601,PC-id_4773057	461.991	ATJHNALZRFFLHH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-146148
c1(c2CCCc2sc1NC(=O)CN1CCC(CC1)C)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_6723784,CoCoCo_6723785,ZINC22_15946660,TIMTEC414936,EMOLS-id_2785168,PC-id_4316417,MCULE-4308544315	462.005	QWMNAIMYBFGICZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146149
c1(c2CCCc2sc1NC(=O)CN1CCCCC1C)C(=O)Nc1c(OC)ccc(Cl)c1	MCULE-7567522845,TIMTEC501561,EMOLS-id_2785166,PC-id_3825362	462.005	VJDWFDNZKXFNAL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146150
c1(c2CCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_6723788,EMOLS-id_2785174,PC-id_5152651,MCULE-3485242919,ZINC22_15946665	462.005	VHACIUABDIKFCR-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-146151
Clc1ccc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_22195791	462.005	ZUXPWJVUEHNTPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146152
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_22195216	462.005	DSRBPVIRKSHAGB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146153
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(cc1)C	PC-id_22199251	462.005	LUIQMACXBUGHFW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146154
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_17279086	462.005	XELCXVKUPAJFPI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146155
COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CN2CCCC[C@@H]2C)sc2c1CCC2	CoCoCo_6723781,ZINC22_15946656,PC-id_26875332,CoCoCo_6723783	462.005	VJDWFDNZKXFNAL-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146156
COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc2c1CCC2	CoCoCo_6723782,PC-id_26875334,CoCoCo_6723780,ZINC22_15946658	462.005	VJDWFDNZKXFNAL-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146157
Clc1c(ccc(Nc2sc(SCC(=O)Nc3sc4CCCc4c3C#N)nn2)c1)C	PC-id_24522169	462.011	DBTDIPZWLZVIJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146158
Clc1c(c(Nc2sc(SCC(=O)Nc3sc4CCCc4c3C#N)nn2)ccc1)C	PC-id_24522065	462.011	LAEMWLNBVWUMRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146159
OC(Nc1n[nH]c2c1CN(C2(C)C)C(=O)I)I	SCHEMBL19311922	462.026	MDDDBQXRFQZZKL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146160
CC(C(F)(F)F)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=NC=C3)Cl)Cl	PC-id_148420742	462.047	LVNSGJXMEXMMPY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146161
CCN1C(=C(SC1=O)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4)C	PC-id_164872220	462.103	ZBBNIQJMWOEEOX-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146162
CCOC1=NC(=C(S1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4)C	PC-id_164872177	462.103	UTWKTNNATUTDSJ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146163
Ic1ccc(c(c1)C(=O)NCc1sc2c(c1)CCC2)Br	PC-id_108012894	462.143	NVPDTLGEKYRBHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146164
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)C)C(=N1)NC(=O)C4=CC=C(C=C4)C(=O)O	PC-id_165180375	462.154	QBRMPNAFOVJAOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146165
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)C(F)c3ccccc3)C4)cc2)CC1	SCHEMBL2925281,PC-id_68443172,PD088708	462.22	NYMXQEKCEGCXNT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146166
C[C@@H]1CC2=C(C1C)C(=NN2CC(=O)N3CCN(CC3)C4=CC=CC(=C4C)C(F)(F)F)C(=O)C	PC-id_153600092	462.224	QSWMSGPEITUUNR-GICMACPYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146167
CCCCCC1(CCCCC=C)C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_144503787	462.239	JHZAZHBKYXTCDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-146168
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)OC(C)(C)C)NC(=O)C3(CCC3)C(C)(C)C	PC-id_153587070	462.284	IYCLFPSQZGOJGC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146169
C[C@H]1CN(C(CN1C(N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)COC)O)(C)C)C	PC-id_163570857	462.287	FZFLTEKKASDJKK-SZQRVLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-146170
COc1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324839152	462.292	QZNNFMARZHMGRZ-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146171
COc1ccccc1OCc1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324873220	462.292	KZRXBJFMKQPHNR-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146172
COc1ccccc1OCc1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324873216	462.292	LXBYTOQHJVQOFW-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146173
COc1cccc(OCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)c1	EMOLS-id_324875271	462.292	KCDJKWWYLCFDIQ-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146174
COc1cccc(OCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)c1	EMOLS-id_324875267	462.292	QTEGQJJRNCRUMK-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146175
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1ccccc1OC	MCULE-8168502463	462.292	KZRXBJFMKQPHNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146176
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1cccc(OC)c1	MCULE-5572991458	462.292	KCDJKWWYLCFDIQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146177
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1ccccc1OC	MCULE-1714254836	462.292	LXBYTOQHJVQOFW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146178
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1cccc(OC)c1	MCULE-8605186586	462.292	QTEGQJJRNCRUMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146179
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)Cc1ccc(F)cc1	MCULE-1972187635	462.292	QZNNFMARZHMGRZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146180
CC1C(=C(C2=C3CC(CC3=CN2)COCC4=CN=CC=C4)N=C(C)N)C=[N+](N1)C5CCNCC5	PC-id_163616689	462.298	VRGLVJMDRZUVJR-UHFFFAOYSA-O	00000011100010101001100010000000000000000000000000000000	25-01-146181
C1Cc2nnc(n2C1C(=O)NCc1ccc(cc1)F)CNC(=O)c1c(cc(cc1)Cl)Cl	PC-id_134788688	462.304	ISGVQUFKKNBPHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146182
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(F)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24947136,SCHEMBL3485206	462.304	VFHKEYCVZGLVJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146183
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(F)ccc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24946952,SCHEMBL3485314	462.304	PFSXBBJXTMHQQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146184
Cc1nn([C@@H](C)C(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)c(C)c1Br	PC-id_51853342,ZINC22_36614297	462.307	SYAGYKQYJHUMCI-LBPRGKRZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146185
Cc1nn([C@H](C)C(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)c(C)c1Br	PC-id_51853343,ZINC22_36614298	462.307	SYAGYKQYJHUMCI-GFCCVEGCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146186
CC(C(=O)NCCCn1nc2CCCc2c1C(F)(F)F)n1nc(C)c(Br)c1C	TIMTEC462792,MCULE-6155069465,PC-id_19614076,EMOLS-id_8868170	462.307	SYAGYKQYJHUMCI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146187
COC(=O)c1c(NC(=O)Cn2nnc(c3ccc(Br)cc3)n2)sc2c1CCC2	CoCoCo_3659096,PC-id_24231572,EMOLS-id_17158031,ZINC22_12750832,MCULE-6813657400	462.32	DTFJPRWDESYTAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146188
CC(C(=N)NOC(=O)CCl)Oc1cc(/N=c/2snc3n2CC(C3)C)c(cc1Cl)F	SCHEMBL10546580,PC-id_54121920	462.326	NOHRUVYEBTXRBB-XLNRJJMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146189
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4n(nc(c4)C)C)c3C2)(C)C)c(Cl)ccc1	PC-id_24948071,SCHEMBL3485390	462.332	IEOVGEWMURPZHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146190
Brc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1CCCC)C(=O)c1ccccc1	SCHEMBL11263754,PC-id_54448378	462.334	WTEJIZIYCCFROX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146191
Cc1ccc(O)c(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324918277	462.349	HZTAFIYBNPYNLI-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146192
CCCOc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324848375	462.349	RBOGPTOPCDYSAM-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146193
CC(C)Oc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324849399	462.349	TZOFZOLRWVMZLS-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146194
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1	EMOLS-id_324912137	462.349	IMTFISQCGJXWJI-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146195
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)c1	EMOLS-id_324912653	462.349	OBZCCIGZGAGNPW-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146196
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)ccc1OC	PC-id_16947472	462.349	IVRGXRFITKXBGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146197
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)c(OC)cc1	PC-id_16947444	462.349	LPNBIQUCNWEBLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146198
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)ccc1Cl	PC-id_16947900	462.349	AFLVHUJNKGNPCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146199
COc1ccccc1/C=c/1sc2nc(CCCOc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324916226	462.349	RDURPISOOBHVBM-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146200
COc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324918784	462.349	YWAZFHUIGATWMY-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146201
COc1ccc(CCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1OC	EMOLS-id_324891661	462.349	CJVOHBVRXBZSOI-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146202
COc1ccc(CCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1OC	EMOLS-id_324894219	462.349	HINNGMUMHGKCII-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146203
COc1ccc(CCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324892684	462.349	XAUBINHHEHXHDV-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146204
COc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324917250	462.349	BSRBUXPCVJUCOK-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146205
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	EMOLS-id_324892164	462.349	ZOQXMJLPOYYDHX-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-146206
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)cc1	EMOLS-id_324890627	462.349	AGJIYCNOHJCFAO-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146207
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)cc1	EMOLS-id_324893187	462.349	UJSDJNJDYRTDBM-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146208
n12c(=O)c(=Cc3ccc(cc3)OCC)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-8453903960	462.349	IMTFISQCGJXWJI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146209
n12c(=O)c(=Cc3cccc(OCC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-4084037699	462.349	OBZCCIGZGAGNPW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146210
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3394858144	462.349	HINNGMUMHGKCII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146211
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)CCCOc1ccc(OC)cc1	MCULE-5952384050	462.349	AGJIYCNOHJCFAO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146212
n12nc(nc1sc(=Cc1ccccc1OC)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-3863000888	462.349	RDURPISOOBHVBM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146213
n12nc(nc1sc(=Cc1ccc(cc1)OC)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6153895307	462.349	YWAZFHUIGATWMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146214
n12nc(nc1sc(=Cc1cc(C)ccc1O)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-9993597773	462.349	HZTAFIYBNPYNLI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146215
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-2135618118	462.349	XAUBINHHEHXHDV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146216
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9114675945	462.349	CJVOHBVRXBZSOI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146217
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCCOc1ccc(OC)cc1	MCULE-4384614387	462.349	ZOQXMJLPOYYDHX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146218
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)CCCOc1ccc(OC)cc1	MCULE-5350630907	462.349	UJSDJNJDYRTDBM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146219
n12nc(nc1sc(=Cc1cccc(OC)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2229076150	462.349	BSRBUXPCVJUCOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146220
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccc(cc1Cl)Cl)c2=O)CC	MCULE-3250968886	462.349	CLHNDHFVESQPHK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146221
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-3017294649	462.349	RBOGPTOPCDYSAM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146222
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-9357202336	462.349	TZOFZOLRWVMZLS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146223
Cc1nc(c2ccc(Br)cc2)sc1[C@@H](C)OC(=O)c1[nH]nc2c1COC2(C)C	ZINC22_2325861855	462.36	AMRRREADOLDOIT-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146224
Cc1nc(c2ccc(Br)cc2)sc1[C@H](C)OC(=O)c1[nH]nc2c1COC2(C)C	ZINC22_2325861856	462.36	AMRRREADOLDOIT-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-146225
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N	PC-id_16526012	462.366	BGAUFJGZJBEUPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146226
O=C(Nc1nc2c(s1)CCC2)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	CoCoCo_4164272,PC-id_16343802,ZINC22_13164841,EMOLS-id_43971902,MCULE-9817901316	462.371	CNAJDCVBZIXCNN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146227
c1(NC(=S)NC(=O)c2ccc(c3ccc(cc3Cl)Cl)o2)sc2c(CCC2)c1C#N	CoCoCo_563203,EMOLS-id_2512897,ZINC22_2881694,PC-id_2233974,MCULE-8568421018	462.372	VQZVYZFBRROXTE-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-146228
c1(NC(=S)NC(=O)c2ccc(c3cccc(Cl)c3Cl)o2)sc2c(CCC2)c1C#N	STOCK3S-96283,SPECS-id_AN-465/41165692,EMOLS-id_1720547,CoCoCo_6359058,PC-id_1016873,MCULE-4471525479,ZINC22_678893	462.372	WSILRYRGYTXPRJ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-146229
N#Cc1c(NC(=S)NC(=O)c2ccc(c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2	ZINC22_14269960,PC-id_17103815	462.372	PPBWWOVLGBAJTE-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-146230
N#Cc1c(NC(=O)CC[N@@H+](CC(=O)Nc2ccccc2Br)C)sc2c1CCC2	GD-id_ZINC23038708	462.383	GPCKAEOPIQTEKH-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-146231
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C#N)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	PC-id_134285177,SCHEMBL19900883,BindingDB-id_799431	462.397	XWDYXLGJNKUBCJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-146232
Brc1ccc(NC(=O)c2c(NC(=O)CCN3CCCC3)sc3CCCc23)cc1	EMOLS-id_2785830,PC-id_4305223,TIMTEC102910,CoCoCo_6724261,MCULE-7275197586,ZINC22_8919223	462.403	CMLHGRIUIAZYAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146233
Brc1ccc(NC(=O)c2c(NC(=O)CN3CCCCC3)sc3CCCc23)cc1	ChEMBL-DNDi_CHEMBL7003224,PC-id_1328232,EMOLS-id_1997962,CoCoCo_865611,ZINC22_16192785,MCULE-1377701677	462.403	PRRIEVRXHBEOBT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146234
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OC)C(=O)OC	PC-id_45689836	462.43	JHPYOJAVMBKYPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146235
s1c2CCCc2cc1C(=O)NNC(=O)c1nn(c2c(cccc2)C(F)(F)F)c(cc1=O)C	PC-id_29858165	462.445	FHUTUJRPDILMKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146236
FCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_122501632,SCHEMBL18031621	462.451	GRHROECRUOEKJO-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146237
Cc1ccc(cc1)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_122484668,SCHEMBL18011989	462.455	XJNPPIQLULXKAW-XMMPIXPASA-N	00000010100000110001100010000000000000000000000000000000	25-01-146238
Cc1ccc(cc1)OCc1nnn(c1)c1cccc(c1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL16624969,PC-id_117999648	462.458	LJXORMMLNQUEGA-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146239
Cc1ccc(cc1)OCc1nnn(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL18031085,PC-id_122501180	462.458	FEWFIFYYAOUHGF-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146240
FC(F)(F)C(C(=O)Nc1nn(c2C(N(Cc12)C(=O)OC(C)(C)C)(C)C)C(=O)OCC)(C)C	PC-id_57523240	462.463	UJVSCJUNYPUXAG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146241
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(OCC)cc1)C(=O)OCC	PC-id_28048607	462.473	UJDLYDFUKTYNIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146242
c1(NC(=O)c2cc(cc(c2C)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2383083388,EMOLS-id_334392848	462.476	PUTVZUAQVGZTST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146243
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3088622909,EMOLS-id_334390292	462.476	HKMNCLSHJWCBMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146244
CC(CCN1Cc2cc(cn2C1=O)C#CC#CCN1CCOC1=O)(C(=O)NO)S(=O)(=O)C	PC-id_135315507,SCHEMBL20484998	462.476	CFNGQHRRVNUCQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146245
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CCN1CCOC1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484995,PC-id_135315504	462.476	CFNGQHRRVNUCQV-HXUWFJFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146246
OCCc1nnc2n1[nH]c(c2NC1(N)c2nnc(n2N=C1C(F)(F)F)SC)SCC	SCHEMBL7672676,PC-id_70159153	462.476	AALQTMDZXAGSBE-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-146247
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)NC(=O)O)C	SCHEMBL18729864	462.476	IGUGNCGHASWWMR-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146248
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)NC(=O)O)C	SCHEMBL18729866	462.476	IGUGNCGHASWWMR-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146249
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_323174276,MCULE-4157263983	462.478	RNFDCEPZSKPKGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146250
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_323220352,MCULE-7108646619	462.478	YCOGMJRFOKOVQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146251
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2cccc(F)c2)sc2c(CCC2)c1C#N	MCULE-8713903571	462.496	JWQUAWFFUVPEND-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146252
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccc(F)cc2)sc2c(CCC2)c1C#N	MCULE-1714898378	462.496	FOMXACXBYOVRBG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146253
Fc1cccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_321806450	462.496	JWQUAWFFUVPEND-MDZDMXLPSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146254
Fc1ccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_321803390	462.496	FOMXACXBYOVRBG-DHZHZOJOSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146255
n1(N)c(COc2c(F)ccc(F)c2)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335756746,MCULE-3245588122	462.496	AGYKYWLXMRWHGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146256
O=CN(c1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)c1ccccc1)c1ccc(cc1)OC	PC-id_141257350	462.498	QDYFIKQNOVYNPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146257
O(C(=O)N1Cc2n(nc(NC(=O)c3ccc(OC)cc3)c2C1)C(=O)c1ccccc1)C(C)(C)C	PC-id_71476943	462.498	JPIKCBCNRVKDSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146258
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2N(=O)=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_320715847,MCULE-9387814768	462.499	SVMYSAMPEDELBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146259
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccc(cc1)S(=O)C)C(=O)[O-]	SCHEMBL14775037,PC-id_89437244	462.499	QNPCJXJQTKXWFI-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-146260
CCCCN(C(=O)COC(=O)c1[nH]nc2c1COC2(C)C)c1c(O)nc(=O)n(CCC)c1N	ZINC22_2325825814	462.499	CZWBZBFTQVZOHF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-146261
c1(OC)c(OC)cc(cc1OC)C(=O)NCC(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_327774951,MCULE-3848639212	462.516	SNUYSQNQZBEXRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146262
CCOC(=O)c1c(NC(=O)CNc2cc(OC)c(OC)cc2C(=O)OC)sc2c1CCC2	PC-id_2552349,CoCoCo_3373728,EMOLS-id_3384387,MCULE-4085960283,ZINC22_3432767	462.516	RSASCKWZAGCUDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146263
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c([nH]c1C)C(=O)OCC)C)C(=O)OCC	PC-id_3519411	462.516	LNIAPBJLDAHYGI-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-146264
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C(=O)OCC	PC-id_4544472	462.516	VAQWGXUAAIUXNX-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-146265
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_4011413	462.516	YKJWTANQCIEYQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146266
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1occc1)C(C)C)C(=O)OCC	PC-id_51581794	462.516	QWLSPBMKWMBDFF-SFHVURJKSA-N	00000010101000000000000010000000000000000000000000000000	25-01-146267
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1occc1)C(C)C)C(=O)OCC	PC-id_51899080	462.516	QWLSPBMKWMBDFF-GOSISDBHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-146268
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)C(C)C)C(=O)OCC	PC-id_45623745	462.516	QWLSPBMKWMBDFF-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-146269
CCCc1ncc(c(n1)Nc1nn(c2c1CN(C2(C)C)C(=O)OC(C)(C)C)C(=O)OCC)F	SCHEMBL19195078	462.518	UHMUZOSZLGILHE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-146270
C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)o1	CoCoCo_4180280,ZINC22_9448266,PC-id_41074426	462.518	XJLARTHDWCFZHC-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146271
C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)o1	CoCoCo_4180281,PC-id_41074423,ZINC22_9448262	462.518	XJLARTHDWCFZHC-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-146272
CCNc1ncc(c(n1)Nc1cn(c2c1CN(C2(C)C)C(=O)OC(C)(C)C)C(=O)OCC)F	SCHEMBL19195071	462.518	OKHWEYZPGPTSMQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-146273
CCOC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)/c2ccccc2)sc2c1CCC2	ZINC22_408574987	462.518	NRPPTTSXAPDMOB-HMMYKYKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146274
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnc(o1)C(Oc1ccccc1F)C	MCULE-7855989529,PC-id_17548290,EMOLS-id_11903842	462.518	XJLARTHDWCFZHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146275
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(C(=O)c2ccccc2)cccc1)C)C(=O)N	PC-id_37289436	462.518	PUMITAYAGWOOKG-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146276
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(C(=O)c2ccccc2)cccc1)C)C(=O)N	PC-id_37289437	462.518	PUMITAYAGWOOKG-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146277
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(C(=O)c2ccccc2)cccc1)C)C(=O)N	PC-id_74656466	462.518	PUMITAYAGWOOKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146278
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(C(=O)c2ccc(cc2)C)cccc1)C(=O)N	PC-id_2605442	462.518	BJFHAMDSWRADLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146279
C[C@@](CCN1Cc2cc(C#CC#CC3CN(CCO)C3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484984,PC-id_135315494,CHEMBL4437135	462.519	PCBKVWPRZYCNFU-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146280
C[C@@](CCN1Cc2cc(C#CC#CCN3CCOCC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4460177	462.519	RCVIUJCFSNMRDD-OAQYLSRUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146281
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CCO)(C(=O)NO)S(=O)(=O)C	PC-id_135315500,SCHEMBL20484990	462.519	PCBKVWPRZYCNFU-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146282
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1CN(C[C@@H]1O)C)(C(=O)NO)S(=O)(=O)C	PC-id_135315963,SCHEMBL20485510	462.519	NJCVSAKFTGMJBX-UDWUOZNQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146283
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1CN(C[C@@H]1O)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485508,PC-id_135315962	462.519	NJCVSAKFTGMJBX-DJPFJPOOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146284
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1CN([C@@H]1CO)C)(C(=O)NO)S(=O)(=O)C	PC-id_135315766,SCHEMBL20485293	462.519	SXPAIJAQSUXSQW-YRISNDGFSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146285
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1CN([C@@H]1CO)C)(C(=O)NO)S(=O)(=O)C	PC-id_135315767,SCHEMBL20485294	462.519	SXPAIJAQSUXSQW-NOORDXFBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146286
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1CN([C@H]1CO)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484844,PC-id_135315380	462.519	SXPAIJAQSUXSQW-JUAJCIKASA-N	00001010100000000001000010000000000000000000000000000000	25-01-146287
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)[C@H](F)c3ccccc3)C4)cc2)CC1	CHEMBL385266,BindingDB-id_23387,PD084242,BindingDB_PC-id_11994444,PC-id_11994444	462.519	NYMXQEKCEGCXNT-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146288
C(=O)(c1ccc(cc1)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1)c1ccccc1	PC-id_46228533,BindingDB_PC-id_46228533,CHEMBL603264	462.519	MEKGULBCTOMNNL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146289
OC[C@@H]1N(C)C[C@H]1C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18587792	462.519	SXPAIJAQSUXSQW-PLMTUMEDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146290
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CCC(CO1)N)C	PC-id_118368869	462.519	GRMFYINXDOEWLP-QYGXFBIXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146291
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@@H]1CC[C@H](CO1)N)C	SCHEMBL18730130	462.519	GRMFYINXDOEWLP-HGHGUNKESA-N	00000010100010000001000010000000000000000000000000000000	25-01-146292
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@@H]1CC[C@H](CO1)N)C	SCHEMBL18730131	462.519	GRMFYINXDOEWLP-XXTRANHVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146293
c1(NC(=O)c2cc([nH]n2)c2ccc(cc2O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_6234395,EMOLS-id_4685068,CHEMBL1376040,TIMTEC260228,STOCK5S-50151,EMOLS-id_30359199,CoCoCo_6234396,MCULE-4659489098,ChEMBL-DNDi_CHEMBL1376040,ZINC22_13125520	462.521	KFYPHZLCMJQCTP-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-146294
c1(NC(=O)c2cc([nH]n2)c2cc(C)ccc2O)sc2c(CCC2)c1C(=O)NCc1ccco1	STOCK5S-38580,EMOLS-id_30351307,EMOLS-id_4675774,CoCoCo_6211627,CoCoCo_6211628,TIMTEC338811,MCULE-7795842174,ZINC22_8845377	462.521	NPROMHVFBHAINW-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-146295
c1(NC(=O)c2[nH]nc(c3cccc(C)c3O)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1400510058,PC-id_135675443	462.521	BTBHTPBMFHZCRW-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-146296
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(OCC)c2)sc2c(CCC2)c1C#N	EMOLS-id_321806449,MCULE-4726481243	462.521	PZWHSCBKEOKUPY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146297
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccc(OC)cc2)sc2c(CCC2)c1C#N	MCULE-2262630385,EMOLS-id_321803132	462.521	URULRWDVORZKPW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146298
c1(NC(=O)COc2cccnc2NC(=O)COc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_321803645,MCULE-6589195017	462.521	FIOQNAXVYGRLNT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146299
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccccc2CC)sc2c(CCC2)c1C#N	EMOLS-id_321770749,MCULE-2826245290	462.521	AGGKZHZDCDQGEE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146300
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2C)C)sc2c(CCC2)c1C#N	MCULE-3337174921,EMOLS-id_321771516	462.521	BHJUBIIMCPUADQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146301
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_321771004,MCULE-4666724892	462.521	KYAGGRWGANMUAV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146302
c1(NC(=O)COc2cccnc2NC(=O)Oc2cc(C)ccc2C)sc2c(CCC2)c1C#N	EMOLS-id_321772795,MCULE-8566000531	462.521	JYXWAKKMBSAQQC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146303
c1(NC(=O)COc2cccnc2NC(=O)Oc2cccc(C)c2C)sc2c(CCC2)c1C#N	EMOLS-id_321773308,MCULE-3605870284	462.521	DVRAHXIRTCOQTM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146304
c1(NC(=O)COc2cccnc2NC(=O)Oc2cc(cc(C)c2)C)sc2c(CCC2)c1C#N	MCULE-7769607822,EMOLS-id_321770492	462.521	MTVRSOJBJLRCJD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146305
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(CC)cc2)sc2c(CCC2)c1C#N	MCULE-6500943308,EMOLS-id_321770236	462.521	NMAKPQNQOWJEKX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146306
c1(NC(=O)COc2cccnc2NC(=O)OCCc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321796902,MCULE-1564991340	462.521	ADUCZOSHMAQNBM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146307
C[C@H]1CN([C@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)OC)CCO)C	PC-id_135331935,SCHEMBL20503345	462.521	OLFRRJZUQKFFTN-STQMWFEESA-N	00000010100010100001000010000000000000000000000000000000	25-01-146308
COc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C(O)C)N(C[C@@H]1C)C)F	SCHEMBL16617871,PC-id_117993563	462.521	HDGITHBNDASYPP-BZUNDVKYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-146309
COc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(CCO)N(C)C[C@@H]2C)C3(C)C)n1	SCHEMBL3322909,BindingDB-id_546113,BindingDB_PC-id_59333964,PC-id_59333964	462.521	OLFRRJZUQKFFTN-UEWDXFNNSA-N	00000010100010100001000010000000000000000000000000000000	25-01-146310
Nc1c(N(Cc2ccco2)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c(=O)n1Cc1ccccc1	CoCoCo_3280757,MCULE-6016590846,ZINC22_9814496,PC-id_16291275,EMOLS-id_3660183	462.521	MJLFUOTZKPQQBX-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-146311
NC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2N)sc2c1CCC2	PC-id_24497019,ZINC22_16788588,CoCoCo_3641192,EMOLS-id_19699084,MCULE-9682702980	462.521	MQBMHFVGJYQGOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146312
OCCC1CN(C(CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(OC)ncc1F	PC-id_143732542	462.521	OLFRRJZUQKFFTN-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-146313
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(C=CC2=O)C)/NN1)C(=O)NCc1occc1	PC-id_5589716	462.521	MYRVDODOBLIBGO-MSUUIHNZSA-N	00000011101011000001100010000000000000000000000000000000	25-01-146314
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C=C(C=CC2=O)C)NN1)C(=O)NCc1occc1	PC-id_6771691	462.521	MYRVDODOBLIBGO-UHFFFAOYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-146315
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=O)C(=CC=C2)C)/NN1)C(=O)NCc1occc1	PC-id_19119216	462.521	FKNGGJQDSTVAIE-BMRADRMJSA-N	00000011101011000001100010000000000000000000000000000000	25-01-146316
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=O)C=C(C=C2)C)/NN1)C(=O)NCc1occc1	PC-id_5608955	462.521	FMXXHUCKPACMAB-BMRADRMJSA-N	00000011101011000001100010000000000000000000000000000000	25-01-146317
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C=C(C=C2)C)/NN1)C(=O)NCc1occc1	PC-id_6100086	462.521	FMXXHUCKPACMAB-ICFOKQHNSA-N	00000011101011000001100010000000000000000000000000000000	25-01-146318
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=C(C=C2)C)NN1)C(=O)NCc1occc1	PC-id_6774456	462.521	FMXXHUCKPACMAB-UHFFFAOYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-146319
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(Nc2ccc(OCC)cc2)nccc1)C#N	PC-id_16506386	462.521	XGQKWCDDRJYUKQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146320
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)COc1ccc(F)cc1)C(=O)N	PC-id_27093695	462.521	UFUHRCGOOLQKRV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146321
s1c2c(CCC2)c(c1Nc1nc(NCCCN2CCOCC2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127484	462.526	FNXXHYZEHNSHJP-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-146322
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)CCCOCC(F)(F)F)C)C(=O)N	PC-id_56079418	462.529	GFRPWPNFZZWVGE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146323
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1ccc(cc1)C(F)(F)F)C#N	PC-id_24589375	462.531	FHZYKRKNWABYAI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146324
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1cc(ccc1)C(F)(F)F)C#N	PC-id_46683199	462.531	GATIVJDTRDLMGX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146325
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CCC1)Cc1ccc(cc1)C(F)(F)F)C#N	PC-id_24618038	462.531	ZXZABHWPJUCHME-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-146326
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)Cc1ccc(F)cc1)C(=O)O	PC-id_14124330	462.538	ZBROKLJPDYSNHF-UHFFFAOYSA-O	00001011100000110001001010000000000000000000000000000000	25-01-146327
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)Cc1ccc(F)cc1)C(=O)O	PC-id_57265487	462.538	ZBROKLJPDYSNHF-JQDPCXMUSA-O	00001011100000110001001010000000000000000000000000000000	25-01-146328
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1N(CCC1)C(=O)c1sccc1)C(=O)OC	PC-id_45701615	462.539	TXVTVLKOPBCVKF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-146329
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1N(CCC1)C(=O)c1sccc1)C(=O)OC	PC-id_51580949	462.539	TXVTVLKOPBCVKF-ZDUSSCGKSA-N	00000010100100000000000010000000000000000000000000000000	25-01-146330
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1N(CCC1)C(=O)c1sccc1)C(=O)OC	PC-id_51916806	462.539	TXVTVLKOPBCVKF-CYBMUJFWSA-N	00000010100100000000000010000000000000000000000000000000	25-01-146331
CN(CC(NC(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1cccc(c1)Oc1ccccc1)C)C	PC-id_143492474	462.544	CGDJQYHHSISHAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146332
O=C(CC1CCn2c1ncc2)NCCc1cccc(c1)CCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19223297	462.544	UIALQDIZHHYUPI-BPGUCPLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146333
O=C(C[C@@H]1CCn2c1ncc2)NCCc1cccc(c1)CCNC(=O)OC1CCn2c1ncc2	SCHEMBL19220290	462.544	UIALQDIZHHYUPI-BGERDNNASA-N	00000010100000110001000010000000000000000000000000000000	25-01-146334
O=C(C[C@@H]1CCn2c1ncc2)NCCc1cccc(c1)CCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19223295	462.544	UIALQDIZHHYUPI-LEWJYISDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146335
N#Cc1c(NC(=O)CSc2nnc(c3cccnc3)n2Cc2ccco2)sc2c1CCC2	EMOLS-id_11753186,CoCoCo_3640658,PC-id_16320633,ZINC22_13117619,MCULE-3150149498	462.547	UEUOIEVKSXLAPF-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-146336
C/C=CC=C=C/C(=C(/C1CCCN(CCC1)C(=O)c1n[nH]c2c1CN(C2)C)C)/CC(F)(F)F	PC-id_144718984	462.551	QHAIEHIKCTXYLR-WZIPZJBFSA-N	00000010100000000101000010000000000000000000000000000000	25-01-146337
CCC(C(C)(C)C)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_144718852	462.551	ZXGUWEJNNYYBSA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146338
CC1CCCCC1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)OC(F)(F)C)CCC2	PC-id_142393492	462.553	NRVFEAMUYKKUHP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146339
Brc1cc(C(C)C)c(c(c1)C(C)C)N[Si](C1c2sccc2C(=C1C)C)(C)C	SCHEMBL814979,PC-id_58526155	462.561	FEKGBFYGVGTMEO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-146340
c1(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5153419703,EMOLS-id_334335150	462.561	KGJBNIFWSAXZSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146341
c1(NC(=O)CC(c2ccccc2)NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-1808297515,EMOLS-id_2394186,PC-id_2894240	462.561	LUWKCLRAZBWKAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146342
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccccc2C)sc2c(CCC2)c1C(=O)N	MCULE-6812080898,PC-id_73552893	462.561	ADHPRMZAAXRDAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146343
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OC)c2ccccc2)sc2c(CCC2)c1C(=O)NC	MCULE-7701978624	462.561	VOIFCUBFTUCARO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146344
CCOC(=O)c1c(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)sc2c1CCC2	PC-id_30126743,ZINC22_22228547,CoCoCo_1752599	462.561	LUWKCLRAZBWKAQ-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146345
CCOC(=O)c1c(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)sc2c1CCC2	ZINC22_22228544,CoCoCo_1752600,PC-id_30126741	462.561	LUWKCLRAZBWKAQ-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146346
CNC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)/c2ccccc2)sc2CCCc12	EMOLS-id_334330071	462.561	VOIFCUBFTUCARO-XMHGGMMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-146347
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCc2c(cccc2)C)cc1)C(=O)N	PC-id_19176984	462.561	ADHPRMZAAXRDAK-ACCUITESSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146348
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(F)cc1	PC-id_24588831	462.561	ZGNAHVBEPAAYCJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146349
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)c1cc(F)ccc1	PC-id_24588951	462.561	STJMDDFWONDRSD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146350
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)c1c(F)cccc1	PC-id_24588852	462.561	QSIWCANCXJYJFP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146351
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)c1ccsc1)C(=O)OCC	PC-id_29932208	462.562	RMWQMCLLSXXSCZ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146352
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(nc1C)c1sccc1)C(=O)OC	PC-id_27747871	462.562	GVKAZMRGXADHRA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146353
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCC)sc2CCCc2c1C#N	EMOLS-id_332711751,MCULE-9885347158	462.564	PBKBJVQPONGYRQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146354
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CC)sc2CCCc2c1C#N	MCULE-3066041182,EMOLS-id_332717890	462.564	GRDGYBHQUPVPPM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146355
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CC)sc2CCCc2c1C#N	MCULE-8306873207,EMOLS-id_332716101	462.564	RDHPFSSXUSTIDL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146356
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CC)sc2CCCc2c1C#N	MCULE-5812338784,EMOLS-id_332717124	462.564	WMWXETPLDSMYBD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146357
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-6775795186,EMOLS-id_331926288	462.564	FZORSBBYUYBMMP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146358
CCN(CC)c1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1	ZINC22_16742287,EMOLS-id_45965775	462.564	UVXQNPYZWYGCAG-XHMSLRDHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146359
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)cc1	EMOLS-id_324840184	462.564	LYDTUFXUXGZOAG-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146360
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6934596355	462.564	UVXQNPYZWYGCAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146361
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)CCc1ccccc1	MCULE-6065054509	462.564	LYDTUFXUXGZOAG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146362
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_16947034	462.564	CEOOFFBCYXXOJN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146363
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1cc(OC)ccc1	PC-id_16947162	462.564	ZAJQGRHUYCRNQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146364
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1c(OC)cccc1	PC-id_16947035	462.564	VHBZYOKTCJGOBF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146365
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)c1ccccc1	PC-id_16947822	462.564	BXEONKAVHPKFTN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146366
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1ccc(cc1)c1ccccc1	PC-id_44053170	462.564	LSLVAMULGWQGDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146367
COCC[N@H+](Cc1nnc(o1)c1cccs1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41320129,GD-id_ZINC10022209	462.566	REKISDFZTIFTRZ-UHFFFAOYSA-O	00000010100100000001100010000000000000000000000000000000	25-01-146368
c1(c(C#N)c(nc(SCC(=O)Nc2sc3c(CCC3)c2C#N)c1C#N)N)c1sccc1	MCULE-5713977021,PC-id_91754168,ZINC22_230141820,EMOLS-id_58034897,SPECS-id_AN-584/43493905	462.57	DMRQNGXRPCFSPQ-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-146369
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2129897,ZINC22_949354,CoCoCo_745883,PC-id_1187413,MCULE-5965299664,SCHEMBL8290348	462.582	CMENWENCOXPDOL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146370
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc4c(s3)CCC4)CC2)c(C)c1	PC-id_4796122,EMOLS-id_3461057,CoCoCo_2840772,MCULE-4095024434,ZINC22_13141848	462.582	FVQYNPWMTXZPKS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146371
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c1CCC2	PC-id_110827994	462.582	BCRGIZLDFHXCEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146372
CCOC(=O)c1c(NCC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)sc2c1CCC2	PC-id_110828953	462.582	CUPKLBGBWJJPNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146373
CCOC(=O)c1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)sc2CCCc12	PC-id_1186710,CoCoCo_1763708,MCULE-2228310138,SPECS-id_AF-399/14662003,EMOLS-id_2928765,ZINC22_948388	462.582	IFPKVKLRSVYCDZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146374
CCOC(=O)c1c(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCC2)sc2CCCc12	MCULE-5573046513,PC-id_2142240,EMOLS-id_5513438,CoCoCo_5047225,ZINC22_2700571	462.582	OPAXZBPOVNWCQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146375
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(cc2)C)sc2c1CCC2	PC-id_2309228,CoCoCo_4951126	462.582	RKDFKFCGKKQJDR-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146376
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	EMOLS-id_44138959,PC-id_2309229,CoCoCo_4951125,ZINC22_3168747,MCULE-3731142618	462.582	RKDFKFCGKKQJDR-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146377
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1nc(sc1)C(=O)OCC	PC-id_52732562	462.582	SAOVSTDPFHSRNT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146378
s1c2c(CCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41086622	462.582	ABRHEMVSOAUMCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146379
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCOCC)cc1)C(=O)OCC	PC-id_17112885	462.582	VRUQWBLUDVYCGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146380
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCOCC)ccc1)C(=O)OCC	PC-id_17139860	462.582	ZANKLPKWVKNQEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146381
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCOCC)cccc1)C(=O)OCC	PC-id_17122980	462.582	ONUNAELWMRBDJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146382
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(cc1)C	PC-id_4689881	462.582	RKDFKFCGKKQJDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146383
S(=O)(=O)(N1CCCCC1)c1c(ccc(NC(=O)COC(=O)c2sc3CCCc3c2)c1)C	PC-id_16505648	462.582	SNACJOOAKAAWCL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146384
S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_23734172	462.582	VOWYGNHOEMUMGK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146385
S(=O)(=O)(N1CC(CCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_23912840	462.582	CICPHVIHTDSXJO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146386
S(=O)(=O)(N1C(CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_23990801	462.582	KYOBPYQTKZSZRZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146387
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_16862899	462.582	JAXMMFXBJVODDG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146388
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_41831676	462.582	XWXICEUVSCHEHL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146389
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccccc1	PC-id_16861559	462.582	FNKUAIBUILXCJX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146390
S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_23939131	462.582	OUVYSNMNPCEMNZ-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-146391
S(=O)(=O)(N(C1CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_43947333	462.582	XGURIJIWBAAHDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146392
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	EMOLS-id_27355375,MCULE-3981141337,CoCoCo_3374016,PC-id_27174722,ZINC22_16517743	462.586	AXINEUWLNDAOFR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146393
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)S(=O)(=O)c1ccccc1	MCULE-2705888855,PC-id_16345636,EMOLS-id_11789544	462.586	PZRBPCHNDLZOSX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146394
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1	CoCoCo_4225768,PC-id_41156707,ZINC22_35380284	462.586	PZRBPCHNDLZOSX-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146395
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1	CoCoCo_4225769,ZINC22_35380286,PC-id_41156709	462.586	PZRBPCHNDLZOSX-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146396
NC(=O)c1c2c(CCC2)sc1NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1	PC-id_17551136,CoCoCo_3598361,EMOLS-id_11935088,ZINC22_35307496,MCULE-7441707165	462.586	RBDJLINOMHEXPF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146397
O=C(C1CCCCN1S(=O)(=O)N)Nc1sc2c(c1C(=O)Nc1ccc(cc1)C)CCC2	PC-id_142393490	462.586	IKYYAZBKELLFEJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146398
s1c2CCC(c2nc1NC(=O)C1CCCN(C1)C(=O)NCc1sccc1)C(=O)OCC	PC-id_49728635	462.586	CPJDMUJHTNAZKN-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-146399
S(c1n(c(nn1)C1CC1)CC1OCCC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19726607	462.586	NGHRVFYJVVGRHL-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-146400
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3528788152,EMOLS-id_334329774	462.604	CHJVDOWVGAAERF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146401
c1(NC(=O)c2cccc(c2)OCC(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6225673665,EMOLS-id_334327982	462.604	ASYOEJYDVZDGBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146402
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_19114756,MCULE-5114824439	462.604	RHEHYRWYZWCIRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146403
c1(NC(=O)C(c2ccccc2)Cc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388506,MCULE-8410772247	462.604	NQQANTRYKZTLKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146404
c1(NC(=O)CCCOc2ccccc2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3798456184,EMOLS-id_334329001	462.604	SAWHMNCTGPXGFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146405
c1(NC(=O)CCCOc2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8773329756,EMOLS-id_334331560	462.604	CIHVFFPQXHMZTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146406
c1(NC(=O)CCCOc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8347456961,EMOLS-id_334329772	462.604	LMEJDNAAWXAOBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146407
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8568655859,EMOLS-id_334329768	462.604	DFKDIUMXVUUWFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146408
c1(NC(=O)COc2c(C)ccc(C)c2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330280,MCULE-5192743777	462.604	VDRUOPQNAUOSSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146409
c1(sc2c(CCC2)n1)NC(=O)C(=Cc1ccc(c(OC)c1)OCCCCC)c1ccccc1	MCULE-4504318444	462.604	CMXYEFQUEJDBDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146410
CCCCCOc1ccc(/C=C(/C(=O)Nc2nc3CCCc3s2)c2ccccc2)cc1OC	EMOLS-id_334662612	462.604	CMXYEFQUEJDBDT-HEHNFIMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146411
CCOC(=O)c1c(NC(=O)CCN(Cc2ccccc2)Cc2ccccc2)sc2CCCc12	MCULE-5740239652,EMOLS-id_327953403	462.604	QKSDGGDBIJAHDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146412
CN(C(=O)c1cscc1)[C@H](C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2)Cc1ccccc1	CoCoCo_1305556,PC-id_42276140,CoCoCo_1305558	462.607	YCUAFBOHQMQCTR-QHCPKHFHSA-N	00000010100110110001000010000000000000000000000000000000	25-01-146413
CN(C(=O)c1cscc1)[C@@H](C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2)Cc1ccccc1	CoCoCo_1305559,PC-id_42276141,CoCoCo_1305557	462.607	YCUAFBOHQMQCTR-HSZRJFAPSA-N	00000010100110110001000010000000000000000000000000000000	25-01-146414
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(cc(N(CC)CC)cc1)C	PC-id_16947608	462.607	LSRDFBNFLVIYLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146415
s1c2CC[C@H](c2nc1CC)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2cccnc2)cc1	PC-id_76325668	462.607	DFVXRWSFKFUTBL-UWHHFBIGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-146416
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1	PC-id_44053818	462.607	JBWQXVFUQGVTTH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146417
s1cc(C(=O)N(C(C2CCN(CC2)C(=O)c2n[nH]c3c2CCC3)Cc2ccccc2)C)cc1	PC-id_45198845	462.607	YCUAFBOHQMQCTR-UHFFFAOYSA-N	00000010100110110001000010000000000000000000000000000000	25-01-146418
CCOC(=O)c1c(NC(=O)CSc2nnc(c3cccs3)n2CC)sc2c1CCC2	CoCoCo_2799867,ZINC22_9540368,MCULE-2053884256,EMOLS-id_3146637,PC-id_5141032	462.609	LWCAHPRHMKSSMU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146419
N#Cc1c(NC(=O)C[N@@H+](Cc2c(C)nn(c2C)[C@H]2CCS(=O)(=O)C2)C)sc2c1CCC2	GD-id_ZINC09217630,PC-id_40972448	462.609	NMYCBKINOIGHFA-HNNXBMFYSA-O	00000010100000000001100010000000000000000000000000000000	25-01-146420
N#Cc1c(NC(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)sc2c1CCC2	CoCoCo_4308273,GD-id_ZINC09207782,MCULE-3892936198,PC-id_16337122,EMOLS-id_11777691,ZINC22_9207782	462.609	SEVJWLAOFOSVOJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-146421
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1sccc1)C(=O)OC	PC-id_19725665	462.609	YTGFAWFGIMNILD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146422
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1sccc1)C(=O)OC	PC-id_19725810	462.609	HNCWRPZQAKJSAS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146423
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC)C(=O)OC	PC-id_19717703	462.609	STAFPMVUMNXTIR-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146424
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)C)C(=O)OC	PC-id_19718434	462.609	GLIWMCBOOWDPOP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146425
OC1=C(Cc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc12)C(=O)C(=O)OCC	PC-id_10127744	464.512	FAZYOTQLQUOMOS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-146796
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)C)C(=O)OC	PC-id_19720728	462.609	LNBCDYXPJVZNBQ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146426
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)C)C(=O)OCC	PC-id_19717583	462.609	HTBYYGVMYIURLK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-146427
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC)C(=O)OC	PC-id_20127529	462.609	IDCPODSIHKVECX-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-146428
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)C)C(=O)OCC	PC-id_16511357	462.609	GMDKSOUGRDZIFK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-146429
S1(=O)(=O)C[C@H](n2nc(c(c2C)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)C)CC1	PC-id_40972446	462.609	NMYCBKINOIGHFA-OAHLLOKOSA-O	00000010100000000001100010000000000000000000000000000000	25-01-146430
S1(=O)(=O)CC(n2nc(c(c2C)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C#N)C)C)CC1	PC-id_74733960	462.609	NMYCBKINOIGHFA-UHFFFAOYSA-O	00000010100000000001100010000000000000000000000000000000	25-01-146431
s1c(NC(=O)C[NH+]2CCC(CC2)C(=O)N2CCCCCC2)c(c2CCCc12)C(=O)OCC	PC-id_26666499	462.625	MHRUHIXRUPNBAQ-UHFFFAOYSA-O	00000010100010000100000010000000000000000000000000000000	25-01-146432
CCSc1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	PC-id_117688923,SCHEMBL16224756	462.629	CHNNNFCCBBKZLH-IBGZPJMESA-N	00000010100000101001000010000000000000000000000000000000	25-01-146433
O=S(=O)(c1cc(NC2CCCCC2)nc(c1)Nc1sc2c(n1)CCC2)C1CCOCC1	PC-id_144988122	462.629	AKBNULRVUDBCKT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-146434
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)N1CCCCCC1)C)C(=O)N	PC-id_30628275	462.629	LTIMATCGUAFIAO-INIZCTEOSA-O	00000010100010000101000010000000000000000000000000000000	25-01-146435
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)N1CCCCCC1)C)C(=O)N	PC-id_30628282	462.629	LTIMATCGUAFIAO-MRXNPFEDSA-O	00000010100010000101000010000000000000000000000000000000	25-01-146436
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1CC(CC(C1)C)C)C(=O)N	PC-id_85473789	462.629	NVEJFIGEHSCYFP-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-146437
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)N1CCCCCC1)C)C(=O)N	PC-id_85473503	462.629	LTIMATCGUAFIAO-UHFFFAOYSA-O	00000010100010000101000010000000000000000000000000000000	25-01-146438
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1C[C@@H](C[C@@H](C1)C)C)C(=O)N	PC-id_30633681	462.629	NVEJFIGEHSCYFP-IYBDPMFKSA-O	00000010100010000001000010000000000000000000000000000000	25-01-146439
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1C[C@H](C[C@@H](C1)C)C)C(=O)N	PC-id_30633688	462.629	NVEJFIGEHSCYFP-HOTGVXAUSA-O	00000010100010000001000010000000000000000000000000000000	25-01-146440
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC(=O)N1C[C@@H](C[C@H](C1)C)C)C(=O)N	PC-id_30633694	462.629	NVEJFIGEHSCYFP-HZPDHXFCSA-O	00000010100010000001000010000000000000000000000000000000	25-01-146441
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC)C(=O)OCC	PC-id_20125616	462.629	SBTMWHSVOSCWMJ-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-146442
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC)C(=O)OC	PC-id_20128471	462.629	WXZPMZGUQOEUJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146443
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)C)C(=O)OCC	PC-id_20128358	462.629	CFJDUBAPTMXBCA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146444
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)C)C(=O)OC	PC-id_20125762	462.629	FLPJKZXHWCCAHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146445
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_44060410	462.629	MURWAPFSJRKJDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146446
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2CCCc2n1)c1ccc(C(C)(C)C)cc1	PC-id_60501557	462.629	ONUJSUFOAJSYJG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146447
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)CCc1ccccc1	MCULE-3306066732	462.747	HNTODDWXCKBKIX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146448
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(CCc3ccccc3)nn2c1=O	EMOLS-id_324841213	462.747	HNTODDWXCKBKIX-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146449
Clc1ccc(NC(=O)C(=O)NCC(NC(=O)c2oc3c(CN(C3)C)c2)C(=O)N(C)C)nc1	PC-id_58893712,SCHEMBL14496568	462.887	ZNHLJFWADPXQAP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146450
n1(C(=O)c2ccc(OC(F)F)cc2)c(SCC(=O)c2ccc(Cl)cc2)nc2CCCc12	MCULE-6867840499,ZINC22_5401729,SPECS-id_AT-225/NB55333,PC-id_3596920	462.897	HRNGAEHFZJOAEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146451
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)ccc(F)c1	PC-id_44053749	462.9	SBDKGJWILYKDQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146452
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)c(F)ccc1	PC-id_44053695	462.9	LXOXKUKUCLUVLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146453
Cc1c(n2CCCc2c1C(C(=O)NC1(CC1)C(=O)NC)O)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920798,PC-id_134303074	462.902	ZHSOHEDEQDYHEE-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-146454
Cc1c(n2CCCc2c1C(=O)C(NC1(CC1)C(=O)NC)O)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134605072,SCHEMBL20259644	462.902	XHOXZFNMMICBEC-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-146455
CNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12	SCHEMBL19900944,BindingDB-id_799388,PC-id_134285231	462.902	JDCAEUCJNXMESQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146456
CC1c2c(CO1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1CCCCC1C(=O)O	PC-id_135187016,SCHEMBL20339070	462.946	JNCHKICSRSBDLR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146457
CCOC(=O)c1c(NC(=O)C2CN(C(=O)C2)c2cc(Cl)ccc2OC)sc2CCCc12	EMOLS-id_327876003,MCULE-6262886010	462.946	LXWYYNBLRFWXMU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-146458
Clc1c(OCCC)c(OCC)cc(c1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16514317	462.946	XISVHBVOYDQXAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146459
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)C(=O)OCC)cc1	PC-id_16947347	462.95	KKURLZJHCRMFRP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146460
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CCCC2)nc1	PC-id_77218659	462.953	JXCBIQNHIZKVFQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-146461
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)CCCC2)nc1	PC-id_67056395,SCHEMBL1503707	462.953	JXCBIQNHIZKVFQ-QWHCGFSZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-146462
COc1ccc(NC(=O)c2cc3c(s2)CCC3)c(S(=O)(=O)Nc2ccccc2Cl)c1	PC-id_2348976,CoCoCo_3758983,EMOLS-id_2985944,ZINC22_3230860,MCULE-9420446577	462.97	YWZFVGDETXFQGH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146463
c1(NC(=O)c2c(Cl)cnc(SCC)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	CoCoCo_2210028,TIMTEC560268,ZINC22_16750689,MCULE-9104787767,ChEMBL-DNDi_CHEMBLD054-0287,PC-id_16436147,EMOLS-id_2636902	462.973	XWULATFHXOGZCZ-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-146464
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cccc1	PC-id_19728077	462.973	UOLLZEXVHMUNGU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146465
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc1	PC-id_19728378	462.973	SWRYPTBJFNBGRM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146466
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1	PC-id_17301122	462.973	YXHVWBLQLAXFFI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146467
Clc1ccc(nc1)CN1Cc2c(C1)nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	PC-id_134170787,SCHEMBL19771955	462.973	RLHSMUQECCHYOT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-146468
Clc1cc(n2c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nnc2)ccc1	PC-id_55321779	462.973	SPMXBIFZFZGVAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146469
Clc1cc(n2c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nnc2)ccc1C	PC-id_24372239	462.973	HYHZCLZZZKVZDX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146470
C1CCC(C(C1)C(Nc1c(c2c(s1)CCC2)C(=O)NCc1cc(ccc1)Cl)O)C(=O)O	PC-id_135200299,SCHEMBL20353875	462.989	IRQHHVLQRSGWDB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146471
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333091,MCULE-8379083176	462.989	VSKJSQFVNXXMQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146472
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334334122,MCULE-9333572302	462.989	QXRZPQOMDDOPRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146473
c1(NC(=O)CCCOc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6102027289,EMOLS-id_334333354	462.989	SUVIGRKFGCWYDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146474
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	TIMTEC193570,MCULE-8664962914,EMOLS-id_8821895,PC-id_3871473	462.989	HJWIGFFJVXTCDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146475
Cc1c(ccc(c1)Cl)NC(=O)c1c(sc2c1CCC2)NC(C1CCCCC1C(=O)O)O	PC-id_135200393,SCHEMBL20353978	462.989	OXMOUXVLZDZKAC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146476
Cc1cc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)cc(C)c1Cl	CoCoCo_6019300,ZINC22_1100660,PC-id_1281593	462.989	HJWIGFFJVXTCDL-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146477
Cc1cc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc(C)c1Cl	ZINC22_1100661,PC-id_1281594,CoCoCo_6019299	462.989	HJWIGFFJVXTCDL-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146478
c1(NC(=O)C2(CCCC2)c2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCCOC	PC-id_30862248,EMOLS-id_24913253,CoCoCo_5277560,MCULE-4440114958,ZINC22_23138926	462.993	ZEDHTHPBLJKUNW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146479
Clc1ccc(OCCN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_39747141	462.993	XEUBWHURJWMDLU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146480
Clc1c(NC(=O)c2c3CCCc3sc2NC(=O)CNCCN2CCOCC2)cccc1	PC-id_2297553	462.993	UTBLOTOOFRSBTP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146481
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCC(CC2)C)c(OC)cc1	PC-id_26875335	463.013	QWMNAIMYBFGICZ-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-146482
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2C(CCCC2)C)c(OC)cc1	PC-id_74514435	463.013	VJDWFDNZKXFNAL-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-146483
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCCCCC2)c(OC)cc1	PC-id_26875338	463.013	VHACIUABDIKFCR-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-146484
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2[C@H](CCCC2)C)c(OC)cc1	PC-id_26875331	463.013	VJDWFDNZKXFNAL-AWEZNQCLSA-O	00000010100010110000000010000000000000000000000000000000	25-01-146485
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2[C@@H](CCCC2)C)c(OC)cc1	PC-id_26875333	463.013	VJDWFDNZKXFNAL-CQSZACIVSA-O	00000010100010110000000010000000000000000000000000000000	25-01-146486
C1c2c([nH]c(c2C(S1)CCCCC(=O)NCCOCCOCCCCCCCl)O)O	PC-id_91548737	463.031	YMVYEWFQWWPHOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-146487
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CSC3)C(=O)NC4=CC=C(C=C4)Cl)C(=O)O	PC-id_161883032	463.068	YDDJEDHKBNWHGK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146488
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)SCC3)C(=O)NC4=CC=C(C=C4)Cl)C(=O)O	PC-id_160277081	463.068	PQCKILUDKCNZHK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146489
C[C@@H](C(F)(F)F)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)F)Cl	PC-id_154663310	463.072	QHXQJDQMPFFQCP-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146490
CC(=O)C1=NN(C2=C1CCC2)CC(=O)N3CCC(CC3)OC4=C(C=CC(=C4)F)Br	PC-id_153536684	463.091	WAYHZHGEUSTMLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146491
COCCN1C=C(C=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4F	PC-id_164872131	463.133	VCOJBISMDLASEH-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146492
COCCN1C=CC(=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4F	PC-id_164872255	463.133	KWSUQCGCHBJKQZ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146493
COCCN1C=CC(=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4F	PC-id_164872270	463.133	KWSUQCGCHBJKQZ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146494
COCCN1C=C(C=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4F	PC-id_164872276	463.133	VCOJBISMDLASEH-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146495
CCOC(=O)OCn1c2c(C=C(C2C)C(=O)OC)nc1SCc1nccc(c1OC)OC	PC-id_163573828	463.141	GBRVUPJCNZVHFE-UHFFFAOYSA-N	00000011100000101001000010000000000000000000000000000000	25-01-146496
CC1=C(C(=NN1CC(F)F)C)S(=O)N2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4	PC-id_164872054	463.149	IPQBMRPOYCRDPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146497
CC1=C(C=NN1CC(F)F)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4OC	PC-id_164872109	463.149	FBCXHMJKPIPLNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146498
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)C)C(=N1)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_165180364	463.149	CLQTWAPDCISYPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146499
C1CC2=CC(=NN2C1)C(=O)NC3=C(C=CC(=C3)C#N)N4CCC(CC4)OC5=C(C=C(C=C5)F)F	PC-id_148152005,CHEMBL4455649	463.182	JYYJJTDBAQQRNF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146500
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)[N+](=O)[O-]	PC-id_160961910	463.186	BFGSKFFTHACLOX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146501
CC1=CC=C(C=C1)N(CCCN3C=CC=C3/C2=N/OC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5	PC-id_154810365	463.19	VQBIWHQWTXQENU-KDJFERLWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146502
Clc1ccc(cc1)N(c1ccc(cc1)Cl)C(=O)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5541198,PC-id_69481080	463.271	KNPQSNBPUOBLJT-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146503
Clc1ccc(cc1)N(c1ccc(cc1)Cl)C(=O)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5541200,PC-id_69481081	463.271	KNPQSNBPUOBLJT-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146504
Clc1ccc(cc1)N(c1ccc(cc1)Cl)C(=O)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5541204,PC-id_69481085	463.271	KNPQSNBPUOBLJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146505
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324912143	463.294	ZQZSWJXTNVDBFG-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146506
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(cc3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324914183	463.294	CPAMQYYBXVRRQN-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146507
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3cccc(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324914188	463.294	CQAMBXAUQAPFIO-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146508
n12c(=O)c(=Cc3ccccc3N(=O)=O)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-2443207875	463.294	ZQZSWJXTNVDBFG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146509
n12c(=O)c(=Cc3cccc(c3)N(=O)=O)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-7672913097	463.294	CQAMBXAUQAPFIO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146510
n12c(=O)c(=Cc3ccc(cc3)N(=O)=O)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-9313815884	463.294	CPAMQYYBXVRRQN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146511
Brc1ccccc1Oc1cc(Nc2ccc(Cc3nnc4n3CCC4)cc2)ncn1	ZINC22_1875336251	463.33	ASNQYRGEIMJMGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146512
CC1=C(C2=C(C1[Si](C)(CCCCCCOCC(C)(C)C)NC(C)(C)C)SC(=C2C)C)C	PC-id_164929805	463.33	JKRRZDWCEOTJQG-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-146513
CCN(C(C)(C)C)[Si](C)(CCCCCCOC(C)(C)C)C1C(=C(C2=C1C=C(S2)C)C)C	PC-id_164178723	463.33	PPUPKBUPIQBKOI-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-146514
CCN(C(C)(C)C)[Si](C)(CCCCCCOC(C)(C)C)C1C(=C(C2=C1SC(=C2)C)C)C	PC-id_164178724	463.33	LOFLSWJLAWQTKJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-146515
Clc1c(cc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2ccc(Cl)cc2)cc1)C	PC-id_46872248	463.337	LRHRUSVQFKXZAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146516
c1(NC(=O)c2ccc(Cn3c(C)c(c(C)n3)Br)o2)sc2c(CCC2)c1C(=O)N	EMOLS-id_4147500,CoCoCo_6580470,TIMTEC608402,MCULE-3827081296,PC-id_4772352,ZINC22_2781908	463.348	ZYPIQCIGJRKTAG-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-146517
c1(NC(=O)c2c(Cl)cc(c(c2)S(=O)(=O)N)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_19576222,MCULE-8255264861,TIMTEC172300,CoCoCo_5819647,EMOLS-id_8835739,ZINC22_2745480	463.355	GLXSVAYTJUOQSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146518
Brc1ccc(CC(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1	MCULE-2856918553,EMOLS-id_334334891	463.388	CCQLUIVEULLDOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146519
s1c2c(CCC2)c(c1NC(NC(=O)c1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F)C#N	PC-id_584787	463.397	KLVIRBUZSSKRNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146520
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH+]2CCCC2)cc1	PC-id_40873108	463.411	CMLHGRIUIAZYAT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-146521
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCCCC2)cc1	PC-id_27002912	463.411	PRRIEVRXHBEOBT-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-146522
FC(F)(F)c1n(ncc1C(=O)OCC)c1ccc(NC(=O)NCc2n3CCCc3nn2)cc1	PC-id_52627893	463.413	OMYMEHFBINYWFG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146523
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cc(c(c(c1)N(=O)=O)C)N(=O)=O)C(=O)OC	PC-id_19174899,MCULE-6360021710	463.418	GLMRXGJLDGQKBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146524
c1(C(F)(F)F)c2CCCc2n(CC(=O)NCC(C)Cn2c(C3CC3)cc(C(F)(F)F)n2)n1	MCULE-8039146773,TIMTEC374640,EMOLS-id_8867223,PC-id_19590868	463.42	PDPDFARLHYVEFM-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-146525
C[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cn1nc(C(F)(F)F)cc1C1CC1	ZINC22_20607539,PC-id_29092455	463.42	PDPDFARLHYVEFM-NSHDSACASA-N	00100010100000000001100010000000000000000000000000000000	25-01-146526
C[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cn1nc(C(F)(F)F)cc1C1CC1	ZINC22_20607540,PC-id_29092456	463.42	PDPDFARLHYVEFM-LLVKDONJSA-N	00100010100000000001100010000000000000000000000000000000	25-01-146527
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1cc(c(F)cc1)C(F)(F)F	PC-id_16947603	463.448	HWIZVJKDHNHCLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146528
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)CO)C)F	PC-id_134599070,SCHEMBL20252971	463.45	SWSYADGDRBZYKI-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-146529
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1)C)C(=O)N	PC-id_30501050	463.461	AFVYFWJQOYFCEQ-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-146530
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1)C)C(=O)N	PC-id_30501052	463.461	AFVYFWJQOYFCEQ-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146531
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cc(OCC)c(OC)c1)C(=O)N	PC-id_28037462	463.461	NQOODYIUJYRZPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146532
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1)C)C(=O)N	PC-id_85465851	463.461	AFVYFWJQOYFCEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146533
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cc(OC)c(OCC)c1)C(=O)N	PC-id_28188532	463.461	KMMLBWOTYUSJKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146534
C1C(Sc2c1sc(c2)CN)S(=O)(=O)NCP(=O)(O)Oc1cc(c(cc1)C#N)F	SCHEMBL13072362,PC-id_89011445	463.464	ORZJUBRIYNUXIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146535
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNNN1)C(=O)Nc1cc(cc(c1)C#N)F	PC-id_134302832,SCHEMBL19920543	463.464	FADLPGBVZYQQBP-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-146536
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321802623,MCULE-1091871802	463.466	MOYSYNWQHZORBQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146537
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321805183,MCULE-8976977332	463.466	DQZFQNYRWPCFQP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146538
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2scc(c3ccccc3)c2C(=O)OCC)n1	MCULE-2317487364,ZINC22_869855,EMOLS-id_1359785,CoCoCo_225025,SPECS-id_AN-329/42286219,PC-id_1129780,TIMTEC222072,BAS-01939703	463.473	IPOIUWLKGRDHMQ-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-146539
FC(F)(F)c1ccccc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324821498	463.474	MCQORSVQTHLZBZ-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146540
FC(F)(F)c1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324825081	463.474	XRUGKCCOGDTZSD-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146541
n12c(=O)c(=Cc3ccccc3C(F)(F)F)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-4357203000	463.474	MCQORSVQTHLZBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146542
n12c(=O)c(=Cc3ccc(cc3)C(F)(F)F)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6943287976	463.474	XRUGKCCOGDTZSD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146543
s1c2CCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1ncc(cc1)C(F)(F)F)C(C)C	PC-id_39907200	463.476	LTMFUALJNMWXCM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-146544
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1F)CO)C	SCHEMBL18729842,PC-id_118368797	463.479	RYHCRLVVCXLRGS-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146545
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1F)CO)C	SCHEMBL18729844	463.479	RYHCRLVVCXLRGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146546
CC[N+]1(c2c(C(=N1)NC(=O)c1ccc(o1)CN1CCOCC1)sc(c2)C(=O)OC)C(=O)O	PC-id_91019957	463.484	KVWSCUTWAQZCAS-UHFFFAOYSA-O	00000011101010000001000010000000000000000000000000000000	25-01-146547
CC(C(=O)NC(Cc1cnc[nH]1)C(=O)O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	SCHEMBL20397450,PC-id_135238640	463.486	FKMWRUGGUMHBGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146548
C[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_135238643,SCHEMBL20397453	463.486	FKMWRUGGUMHBGE-HRWMIKOJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146549
s1c2CCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)c1c(OC(F)F)cccc1	PC-id_46422279	463.498	HXZHKQAEKIHSBI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146550
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_3891408	463.501	LIIXEZRNOKJZGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146551
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(OC)c(OC)c1)C(=O)OCC	PC-id_3409536	463.501	PPVLNCGCQBHQPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146552
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC)c(OC)c(OC)cc1)C(=O)OCC	PC-id_16523895	463.501	XSNCPQGBLSGSEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146553
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_41628540	463.501	URKDYERMIMGNDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146554
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(C(=O)c2ccccc2)cccc1)C(=O)OC	PC-id_16539725	463.502	UDVGBXVULUYULL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146555
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)COc1ccc(F)cc1)C(=O)OC	PC-id_24364358	463.502	FRNXIARUXXALGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146556
c1(NC(=O)c2cc(OC)c(cc2N(=O)=O)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8019911073,EMOLS-id_334389520	463.504	YSSOIIJLPMWBCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146557
C[C@@](CCN1Cc2cc(C#CC#C[C@@H]3C[C@H]3[C@H](O)CO)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4557954,SCHEMBL20484920,PC-id_135315439	463.504	DTQVWPQYWBXTEI-QTQZEZTPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146558
C[C@@](CCN1Cc2cc(C#CC#C[C@H]3C[C@@H]3[C@@H](O)CO)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484949,CHEMBL4456704,PC-id_135315463	463.504	DTQVWPQYWBXTEI-QUJKESNLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146559
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1C[C@@H]1[C@H](CO)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315865,SCHEMBL20485403	463.504	DTQVWPQYWBXTEI-GVTIRNABSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146560
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@H]1C(CO)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315441,SCHEMBL20484923	463.504	DTQVWPQYWBXTEI-YQSZFJRPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146561
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1C(CO)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315464,SCHEMBL20484950	463.504	DTQVWPQYWBXTEI-PDORWXRYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146562
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@H]1[C@@H](CO)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315442,SCHEMBL20484924	463.504	DTQVWPQYWBXTEI-GWRCBPMCSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146563
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1[C@H](CO)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484951,PC-id_135315465	463.504	DTQVWPQYWBXTEI-PIJSLZJWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146564
OC[C@@H]1C([C@@H]1CO)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18730039	463.504	QGWJHWCELPQTHX-GKTUAVMOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146565
OC[C@@H]1C([C@@H]1CO)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18730041	463.504	QGWJHWCELPQTHX-TZKKQGAMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146566
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1C[C@H]([C@H](C1)O)O)C	SCHEMBL18730033	463.504	ASDITMNNPACJSA-BEWIMKILSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146567
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1C[C@H]([C@H](C1)O)O)C	SCHEMBL18730037	463.504	ASDITMNNPACJSA-AXTFWYSISA-N	00000010100000000001000010000000000000000000000000000000	25-01-146568
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(O)CCOCC1)C	SCHEMBL18729848,PC-id_118368868	463.504	DKWPHAVHTGHGNV-HXUWFJFHSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146569
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(O)CCOCC1)C	SCHEMBL18729850	463.504	DKWPHAVHTGHGNV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146570
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@@H]1C[C@@H]([C@@H](C1)O)O)C	SCHEMBL18730035	463.504	ASDITMNNPACJSA-GCQDIAHQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146571
c1(NC(=O)c2cc(on2)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_2648005,PC-id_16455081,TIMTEC552449,CoCoCo_2255509,ZINC22_11915722,MCULE-5642041742	463.506	XOABHWQCUBGJFZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-146572
O=C(CNS(=O)(=O)C=Cc1ccccc1)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-4147511713,PC-id_3905719	463.527	SRESRKYQIPJWKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146592
CCNc1ncc(c(n1)Nc1nn(c2c1CN(C2(C)C)C(=O)OC(C)(C)C)C(=O)OCC)F	SCHEMBL3327798,PC-id_59333932	463.506	VKUKBHUNKLNEFS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-146573
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-6631072360	463.506	QSIOAIBZLXEOOF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146574
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(c1oc(nn1)c1ccc(cc1)C)C	PC-id_24470696	463.506	LBEKSZAPLJPTGR-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-146575
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC(=O)c2ccccc2)cccc1)C(=O)N	PC-id_29928669	463.506	LBODXUAUOXJOBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146576
c1(NC(=O)COc2nonc2CC(=O)N(CCOC)CCOC)sc2CCCc2c1C#N	EMOLS-id_333689385,MCULE-7023848650	463.507	MLQYWUGINKCKBO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146577
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccc(cc1)S(=O)C)C(=O)O	PC-id_89437245	463.507	QNPCJXJQTKXWFI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146578
O=C(N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])OCc1ccc(cc1)S(=O)C	PC-id_23081155,SCHEMBL5543792	463.507	QRQQWOUPMXHOBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146579
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_321904125,MCULE-9105207545	463.509	FVJITFYVIDYCBF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146580
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_321902588,MCULE-6668386209	463.509	FBVLCHQYRRZKKD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146581
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(OC)cc2)sc2c(CCC2)c1C#N	EMOLS-id_321903867,MCULE-5850270280	463.509	TTWCOBCZFTVIBG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146582
S1Cc2c(nn(c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053456	463.509	GTOXMFUPPJSKPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146583
Cc1ccc(cc1)N(C(=O)c1ccccc1)CC1Cn2c(C1=NOC(=O)c1ccccc1)ccc2	PC-id_71966823,MCULE-1062823817	463.527	VQBIWHQWTXQENU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146584
Cc1ccc(cc1)N(C(=O)c1ccccc1)CC1Cn2c(/C/1=NOC(=O)c1ccccc1)ccc2	SPECS-id_AN-974/13526002,PC-id_11840105,EMOLS-id_45951557,TIMTEC52108	463.527	VQBIWHQWTXQENU-IKPAITLHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146585
Cc1ccc(cc1)N(C(=O)c1ccccc1)C[C@H]1Cn2c(/C/1=N/OC(=O)c1ccccc1)ccc2	CoCoCo_6950707,PC-id_9525815	463.527	VQBIWHQWTXQENU-IHMZUKPYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146586
Cc1ccc(cc1)N(C(=O)c1ccccc1)C[C@@H]1Cn2c(/C/1=N/OC(=O)c1ccccc1)ccc2	PC-id_5455639,CoCoCo_6950706	463.527	VQBIWHQWTXQENU-ZSUDGOGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146587
Cc1ccc(N(C[C@@H]2Cn3cccc3/C/2=NOC(=O)c2ccccc2)C(=O)c2ccccc2)cc1	CoCoCo_6950705,ZINC22_17166954	463.527	VQBIWHQWTXQENU-IOYDYCAWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146588
Cc1ccc(N(C[C@H]2Cn3cccc3/C/2=NOC(=O)c2ccccc2)C(=O)c2ccccc2)cc1	GD-id_ZINC17166956,CoCoCo_6950708,ZINC22_17166956	463.527	VQBIWHQWTXQENU-FJOMVMCCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146589
O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3104316,PC-id_2429972	463.527	SRESRKYQIPJWKM-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146590
O=C(CNS(=O)(=O)/C=Cc1ccccc1)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3104317	463.527	SRESRKYQIPJWKM-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146591
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(N(c3ccccc3)C)CC2)cc1)C	PC-id_5278840	463.529	UTVZRFOBEVBTGO-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-146593
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(N(c3ccccc3)C)CC2)cc1)C	PC-id_78381698	463.529	UTVZRFOBEVBTGO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146594
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-4150016849,PC-id_2791154	463.545	CRGCWMKYQOFISM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146595
COc1cc(/C=CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1OCc1ccccc1	CoCoCo_5868373	463.545	CRGCWMKYQOFISM-OWBHPGMISA-N	00000010100000110000000010000000000000000000000000000000	25-01-146596
COc1cc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1OCc1ccccc1	PC-id_1567670,EMOLS-id_25936697,STOCK3S-52822,ZINC22_1776789,CoCoCo_5868372	463.545	CRGCWMKYQOFISM-WYMLVPIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-146597
CCCCC(=O)OCOC(=O)C1=C(C(C2N1C(=O)C2C(C)O)C)SC1Cc2nccn2C1	PC-id_89185099	463.547	FRZGSPOZDLSFFT-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-146598
CCCCC(=O)OCOC(=O)C1=C(S[C@@H]2Cn3c(C2)ncc3)C([C@H]2N1C(=O)C2C(O)C)C	SCHEMBL13841141	463.547	FRZGSPOZDLSFFT-NNXIOAFXSA-N	00001011100000000001001010000000000000000000000000000000	25-01-146599
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)OCOC(=O)C(C)(C)C)SC1Cn2c(C1)ncc2)O	PC-id_140497116	463.547	SVIXKYNOOFZUFA-WYKDMFMHSA-N	00001011100000000001001010000000000000000000000000000000	25-01-146600
C[C@H]([C@H]1C(=O)N2[C@H]1[C@@H](C)C(=C2C(=O)OCOC(=O)C(C)(C)C)S[C@@H]1Cn2c(C1)ncc2)O	PC-id_101700650	463.547	SVIXKYNOOFZUFA-QUEVPRLRSA-N	00001011100000000001001010000000000000000000000000000000	25-01-146601
CN(CC(c1ccccc1)CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_58015678,SCHEMBL1206036	463.547	OHTRQBVWSPLJFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146602
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCOC(=O)C(C)(C)C)C1Cn2c(ncc2)C1	PC-id_85041477	463.547	SVIXKYNOOFZUFA-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-146603
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)OCOC(=O)C(C)(C)C)[C@@H]1Cn2c(ncc2)C1	PC-id_9804440	463.547	SVIXKYNOOFZUFA-CNRIWFPOSA-N	00001011100000000001001010000000000000000000000000000000	25-01-146604
c1(c2CCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)OC	ZINC22_55505488,EMOLS-id_2184398,CoCoCo_865810,PC-id_1328274,MCULE-3570580685	463.549	HUQJRBIFEGKFDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146605
c1(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339753,MCULE-9407520905	463.549	HBLCXVRJTVUGBC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-146606
c1(NC(=O)COc2cn(c(cc2=O)C)CCc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331631554,MCULE-3981760283	463.549	VRIYYIJOVFZVFN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146607
c1(NC(=O)NN=Cc2cccc(c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_19169876,MCULE-1371167446	463.549	JXBNOQGQPHXNJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146608
n12nc(nc1sc(=Cc1ccccc1OCCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3434370905	463.549	NHTDYLOWTVSBKK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146609
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-1674922120	463.549	PGTNUWNXPFJWDA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146610
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-7697282642	463.549	UCKMWDCFTATSBQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146611
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-1632391429	463.549	ANZJKOYNHIXCOS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146612
s1c2c(CCC2)c(c1NC(=O)CNc1c(ccc(NC(=O)c2ccccc2)c1)C)C(=O)OC	PC-id_52703756	463.549	BBPAUWNAJAGYKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146613
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)OCCCC	PC-id_16947102	463.549	ODGDLWBLDKMXBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146614
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-8658396996,EMOLS-id_331930650	463.552	IZXGDNJCXDSMCY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146615
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-3736572095,EMOLS-id_331920670	463.552	KXTGUCAXUDLCSA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146616
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331926809,MCULE-6192511840	463.552	ISFCNXDSPJUDQZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146617
OC(=O)[C@@H](N1Cc2c(C1=O)sc(n2)C(c1ccccc1)c1ccccc1)CCCN=C(N)N	PC-id_122392666	463.552	VPYDLGQUSBCEFL-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146618
c1(c2CCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCN(CC1)Cc1ccccc1	CoCoCo_1953338,TIMTEC417272,ZINC22_19831041,MCULE-8950580275,PC-id_1255203,EMOLS-id_6770680	463.567	QZCIIXRAZOTKLR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146619
s1c2c(nc1NC(=O)c1ccc(F)cc1)C(C(=O)N1CCC(CC1)Cc1ccccc1)CC2	PC-id_16947185	463.567	TYHRGVPUQYOTMB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146620
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCOC)CCOC)sc2c(CCC2)c1C#N	PC-id_3404301,CoCoCo_1691716,MCULE-4077448501,EMOLS-id_15924080,ChEMBL-DNDi_CHEMBL2187-1563	463.57	QTFVUJGZGVAKRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146621
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	EMOLS-id_32180792,MCULE-2982043435,ZINC22_11131849,PC-id_41833882	463.57	LLLOCKJKVSZUND-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146622
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331790006,MCULE-1644410332	463.57	YPGNUVNWDXMXSP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146623
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCO)sc2CCCc2c1C#N	MCULE-9822981254,EMOLS-id_331790776	463.57	RGRBKCVPORZIKS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146624
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCOC)sc2CCCc2c1C#N	EMOLS-id_331785918,MCULE-4871210218	463.57	QBLCDWMCUJVEAH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146625
CC1OC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_43876295,PC-id_45840386,MCULE-4468447858	463.57	CSDCESOUTZDOST-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146626
C[C@@H]1O[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NNC(=O)c1sc2c(c1)CCC2	CoCoCo_3440030,PC-id_26872802	463.57	CSDCESOUTZDOST-KBPBESRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146627
C[C@H]1O[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_26872798,CoCoCo_3440029	463.57	CSDCESOUTZDOST-ZIAGYGMSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146628
C[C@@H]1O[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NNC(=O)c1sc2c(c1)CCC2	PC-id_26872799,CoCoCo_3440028	463.57	CSDCESOUTZDOST-OKILXGFUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146629
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(S(=O)(=O)N(CC=C)C)cc1)C(=O)OC	PC-id_52703836	463.57	BZAPLQQLOAGESN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146630
S(=O)(=O)(N1CCCC1)c1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_24406411	463.57	VFFBVXYOOBGCJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146631
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(OC)cc1	PC-id_16862851	463.57	JRPXAXVFBRDCMD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146632
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccccc1	PC-id_22197017	463.57	QCXWTJRQHIUPED-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146633
S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_46652782	463.57	GWCQZERTELYDDH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146634
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_43947078	463.57	PFCSPOUUQWJECM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146635
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)NCc2ccco2)nc(sc1c1ccccc1)C	MCULE-5876617330,PC-id_43854743	463.572	GAUVQQTVTBHJSR-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-146636
c1(NC(=O)c2noc(c3cccs3)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5594049700,PC-id_29766484,TIMTEC137451,ZINC22_21786024,CoCoCo_2254795,EMOLS-id_10114902	463.572	DZBPCWXNSQXWBW-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-146637
COc1ccc(cc1c1nn(c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C)C)OC	PC-id_92109871	463.572	MFVISZKVZAPNTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146638
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCc2ccc(F)cc2)nn1)C(=O)N	PC-id_27067921	463.572	UXOBQAVGNKDBEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146639
s1c2CCCc2c(c1NC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)C#N	PC-id_4955534	463.572	ISINHYIOWSIRPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146640
s1c2CCCc2c(c1NC(=S)NC(=O)c1cc(OCCOc2ccccc2)ccc1)C#N	PC-id_4955371	463.572	OXBQLQZVIQAUIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146641
s1c2CCCc2c(c1NC(=S)NC(=O)c1c(OCCOc2ccccc2)cccc1)C#N	PC-id_4955536	463.572	KZKKNMDWVNRNOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146642
Cc1cc(cc(c1C)C)OC(=O)N(C)SN(C)C(=O)ON=C1C(Sc2nccn12)(C)C	PC-id_88714536,SCHEMBL11048556	463.574	MQWSPQOSJQDTGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146643
Cc1cc(cc(c1C)C)OC(=O)NCSNCC(=O)ON=C1C(Sc2nccn12)(C)C	PC-id_91991954	463.574	WDLCOALTGFFSKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146644
COCCCCCN(c1nc(cc(n1)c1ccccc1)Nc1n[nH]c2c1CN(C2)C(=O)CC)C	SCHEMBL14423343,PC-id_71168691	463.575	FKWGUKZKBLDRTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146645
c1(NC(=O)COc2ccc(cc2)C(C)(C)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-3879414926,TIMTEC334215,EMOLS-id_1859117,PC-id_1561589,CoCoCo_1750760,ZINC22_1768782	463.588	NKLDSFYUFSNYEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146646
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(C2SCCS2)cc1)C(=O)OC	PC-id_41215137	463.59	ZENXKRRLBYLYKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146647
c1(c2CCCc2sc1NCc1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1)C(=O)OCC	EMOLS-id_16406116,MCULE-3744619006,PC-id_4406314,CoCoCo_2720380	463.592	CEOZYHCCFWJCRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146648
c1(c2CCCc2sc1NC(=O)CNC(C)c1ccccc1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2184678,MCULE-8281672032,PC-id_2922657	463.592	TVGPBTBSPSWGTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146649
c1(c2CCCc2sc1NC(=O)CNCCc1ccccc1)C(=O)Nc1ccc(cc1)OCC	SCHEMBL15506191,CoCoCo_870332,ZINC22_3462294,EMOLS-id_2187678,MCULE-1639420088,PC-id_2582696	463.592	YHKZRYIZURGMRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146650
c1(NC(=O)c2ccc(cc2)OCCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-3720804180,PC-id_18883992	463.592	SVFOOPLWSXIGAO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146651
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884027,MCULE-3556552418	463.592	XKSLFDHMIWZBDK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146652
c1(NC(=O)COc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-7167076336,PC-id_18884011	463.592	HCCVUNSHNRTTMD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146653
c1(NC(=O)COc2cc(C)ccc2C(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884025,MCULE-2445312877	463.592	HUCOTPXTWLECOV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146654
CCOc1ccc(NC(=O)c2c(NC(=O)CN[C@@H](C)c3ccccc3)sc3c2CCC3)cc1	PC-id_2297186,CoCoCo_866249,ZINC22_55505502	463.592	TVGPBTBSPSWGTN-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146655
CCOc1ccc(NC(=O)c2c(NC(=O)CN[C@H](C)c3ccccc3)sc3c2CCC3)cc1	ZINC22_55505505,CoCoCo_866248,PC-id_1328371	463.592	TVGPBTBSPSWGTN-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146656
s1sc(=S)cc1c1ccc(OC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc1	PC-id_11619611	463.592	QGIFNXALHXSRLV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146657
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1	PC-id_41156706,GD-id_ZINC09646072	463.593	PZRBPCHNDLZOSX-AWEZNQCLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-146658
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccccc1	PC-id_74749918	463.593	PZRBPCHNDLZOSX-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-146659
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)Cc1ccccc1	PC-id_40855266	463.593	RBDJLINOMHEXPF-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-146660
S(=O)(=O)(N1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccccc1	PC-id_41156708	463.593	PZRBPCHNDLZOSX-CQSZACIVSA-O	00000010100010110001000010000000000000000000000000000000	25-01-146661
CCS(=O)(=O)Nc1cccc(c1)N1CCN(CC1)CCCCn1c(=O)n2c(c1O)CCC2	BindingDB_PC-id_54150941,PC-id_54150941	463.594	OHRUJLACQQIEJZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146662
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1CCS(=O)(=O)C1	MCULE-1923214091,EMOLS-id_11774331,PC-id_16334728	463.597	OZJOFQGVQMUWPN-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-146663
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1[C@H]1CCS(=O)(=O)C1	PC-id_25730706,CoCoCo_4310924,ZINC22_13163329	463.597	OZJOFQGVQMUWPN-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-146664
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1[C@@H]1CCS(=O)(=O)C1	ZINC22_9665046,PC-id_41167025,CoCoCo_4310925	463.597	OZJOFQGVQMUWPN-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-146665
CCc1c(c(ccc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(C)(C)S(C)(C)C	SCHEMBL20348607,PC-id_135195475	463.612	OMQGZCSRFCCYLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146666
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCC)CCC)sc2c(CCC2)c1C(=O)NC	MCULE-5636256936,PC-id_22582887,ZINC22_15822819,EMOLS-id_16349105,CoCoCo_2590255	463.613	HNJPRNUOOHCPLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146667
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCCC)CC)sc2c(CCC2)c1C(=O)NC	ZINC22_17270269,MCULE-8128287093,CoCoCo_5058654,EMOLS-id_22708560,PC-id_27621305	463.613	NUWWXYLQPSAARO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146668
CCOC(=O)c1c(NC(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)sc2c1CCC2	CoCoCo_3862854,ZINC22_12535293,PC-id_25341697	463.613	NVLKUDVIMCXLQU-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146669
CCOC(=O)c1c(NC(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)sc2c1CCC2	PC-id_25341696,CoCoCo_3862853,ZINC22_12535292	463.613	NVLKUDVIMCXLQU-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146670
CCOC(=O)c1c(NC(=O)CSc2nc(c(n2CC2CCCO2)C)C)sc2c1CCC2	PC-id_42889522,MCULE-5826076228,EMOLS-id_24122296	463.613	NVLKUDVIMCXLQU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146671
c12C3(CCCc1oc(C(=O)Nc1sc4c(CCC4)c1C(=O)OCC)c2C)SCCS3	MCULE-4999798514,PC-id_18832139	463.633	WPPHMIQOXAFQRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146672
s1c2c(CCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)c1ccc(CC(C)C)cc1)C#N	PC-id_55851227	463.635	YWIQXRTZBHTOCD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146673
C=CC=N/C(=C/C(=CC)/S/C(=N/c1[nH]c2c(c1C(=C)N1CCC(C1)NC)CCC2)/C)/C(=C)C	PC-id_144154598	463.681	DHRTVZINYVWFIO-DAQFFVDXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-146674
Clc1c(ncc(Cl)c1Cl)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_16508975	463.72	OSLQNOSVCOWMCQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146675
Clc1c(nc(Cl)c(Cl)c1N)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_27324047	463.723	RBXSUJHJPOBFHU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146676
Clc1ccc(NC(=O)C(=O)NCC(NC(=O)c2oc3CN(Cc3n2)C)C(=O)N(C)C)nc1	SCHEMBL14496567,PC-id_58893890	463.875	QUIPNOCJVWFKAO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-146677
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C)C)Cl	PC-id_134599104,SCHEMBL20253011	463.905	WFMLIQGWNAMZMW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-146678
C1Cc2nnc(n2C1C(=O)NCc1ccccc1F)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134797373	463.913	QXQJGTFZYGDJPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146679
C1Cc2nnc(n2C1C(=O)NCc1ccc(cc1)F)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134797652	463.913	ZNWDCDTXVUFFRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146680
Clc1ccc(cc1)COC(=O)N(C1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL5534639,PC-id_69479083	463.915	CUQAJCXRCRBKCJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146681
Clc1ccc(COC(=O)N2CCC(C(NC)C3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481722,SCHEMBL5544106	463.915	CRQGICOVBCSQPS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146682
Clc1ccc(COC(=O)N2CCC(C(NC)[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5544094,PC-id_69481717	463.915	CRQGICOVBCSQPS-ZYZRXSCRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146683
Clc1ccc(COC(=O)N2CCC(N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	PC-id_69481719,SCHEMBL5544101	463.915	IFJRNWVSQNOUJZ-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146684
Clc1ccc(COC(=O)N2CCC(N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	PC-id_77659733	463.915	IFJRNWVSQNOUJZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146685
Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-6138422576,CoCoCo_3090964,EMOLS-id_43778182,ZINC22_2652982,PC-id_2116359	463.934	PXKOKKKMQRWFFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146686
Clc1ccc(CNC(=O)COC(=O)CCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_2116360	463.934	KZJOXOKUFUXNQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146687
NC(=O)c1c(NC(=O)COC(=O)CCCNC(=O)c2ccc(Cl)cc2)sc2c1CCC2	EMOLS-id_3294094,PC-id_2497159,CoCoCo_3079215,MCULE-1549176205,ZINC22_3379035	463.934	PSOYUIRNIDSQAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146688
c1(NC(=O)CSc2nnc(c3ccc(cc3)Cl)o2)sc2c(CCC2)c1C(=O)OCC	ZINC22_704076,EMOLS-id_3084048,CoCoCo_3080644,TIMTEC404597,MCULE-4303494462,SPECS-id_AF-399/42878178,PC-id_1034461	463.958	QKZSXGATNWEFLA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146689
Clc1c(c2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cccc1	PC-id_4343837	463.958	UWMBZKVCJQPGSV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146690
Clc1cc(c2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc1	PC-id_4460075	463.958	IITMKGNXCWQQTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146691
COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	PC-id_30796779,EMOLS-id_31380232,ZINC22_23040857,MCULE-8114550606	463.958	JQPRPRWYWXTZAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146692
Clc1ccc(n2nnnc2SCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_16535746	463.961	NEALMVFRAOKIGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146693
Clc1ccc(Nc2scc(n2)CC(=O)Nc2sc3CCC(c3n2)C(=O)OCC)nc1	PC-id_49738253	463.961	PDOPHDXJNLGKOF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-146694
Clc1ccc(OCc2nc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)n[nH]2)cc1	CoCoCo_3147606,CoCoCo_3147607,CoCoCo_3147608,PC-id_2490787,EMOLS-id_3291300,CoCoCo_3147609,MCULE-1126192015	463.961	WYQJPZZIVNSLCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146695
COc1ccc(Cl)cc1c1n[nH]c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1	CoCoCo_3120793,ZINC22_3373020,CoCoCo_3120795,MCULE-2982748861,CoCoCo_3120794,EMOLS-id_3291304,CoCoCo_3120792,PC-id_2490788	463.961	ZJEPBDCLWUKYDP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146696
CS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1ncc(cn1)Cl	SCHEMBL19772083,PC-id_134170911	463.961	BZFQSCCNCZWVAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146697
Clc1cc(NC(=O)CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)CC)c(cc1)C	PC-id_24427912	463.978	VBNUDMBCGQJOPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146698
Clc1c(C(=O)NCC(C)C)ccc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_52704821	463.978	XEOJLGFBPHNHCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146699
N#Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)sc2c1CCC2	PC-id_2462320,MCULE-3921501420,ZINC22_3345669,EMOLS-id_3170308,CoCoCo_3268216	464.001	XMTMERFMKGAWSV-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-146700
O=C(Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2)C[NH2+]CCN1CCOCC1	GD-id_ZINC20118062	464.001	UTBLOTOOFRSBTP-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-146701
CC1(c2c(CN1C(=O)Nc1ccccc1Cl)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195421,SCHEMBL20348551	464.024	OVUUWAXRGSXOLN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146702
CC1(c2c(CN1C(=O)Nc1cc(ccc1)Cl)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348573,PC-id_135195441	464.024	AOXOBNAOXVQERL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-146703
c12C(C)CCc1n(nc2I)Cc1ccc(cc1)I	MCULE-5779346789,EMOLS-id_330978557	464.083	KUURNGWKGJHYSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146704
CC1CCc2c1c(I)nn2Cc1ccccc1I	MCULE-4988010996,EMOLS-id_330979069	464.083	RXPDFUGHQGGASL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146705
CC1CCc2c1c(I)nn2Cc1cccc(I)c1	EMOLS-id_330978813,MCULE-6986741746	464.083	MRKKENMIKUWSDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146706
CC1CCc2nn(Cc3ccccc3I)c(I)c12	EMOLS-id_330963129,MCULE-7978785298	464.083	JAZFRJQIHAPQJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146707
CC1CCc2nn(Cc3cccc(I)c3)c(I)c12	EMOLS-id_330962873,MCULE-9837722513	464.083	BKIVZDNPQKICQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146708
CC1CCc2nn(Cc3ccc(I)cc3)c(I)c12	MCULE-7578007418,EMOLS-id_330962617	464.083	DMKRTRYZADWZMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146709
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC=C3)C(F)F	PC-id_155278670	464.094	QTZHJPMAHDSECU-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-146710
CC1(CCOCC1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=NC=C4)Cl)Cl	PC-id_148648529	464.102	NLLKBIVHOXXDQC-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-146711
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC(=NC=C3)C#N)Cl)NS(=O)(=O)N4CCC(CC4)O	PC-id_155278764	464.103	LEZLZCYWJWVZTC-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-146712
CC1=NN2CCN(C2=C1C(=O)NC3(CC3)C4=CC=C(C=C4)C(=O)OC)CC5=CC=C(C=C5)Cl	PC-id_160912497	464.162	ZVUPPTNUXSEFGC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-146713
Cc1nn2CCN(c2c1C(=O)N[C@@H](C)c1ccc(cc1)C(=O)O)Cc1cc(ccc1)OCCO	PC-id_163539716	464.206	JWWRJVREVMBEFX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146714
CCOC(=O)C1=NN2CC(OC2=C1)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C	PC-id_150659778	464.213	JDQILEGJRUXNKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146715
CC1(C2=NNC(=C2CN1C(=O)NC3(CC3)CN(C)C)CC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_164707945	464.254	BMJZOTOFHUXWMC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-146716
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@](C5)(C)O)C	PC-id_150644628	464.279	JAPMEUOVOZELCE-MHZLTWQESA-N	00000010100010110001100010000000000000000000000000000000	25-01-146717
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)O)C	PC-id_151411052	464.279	OYNOGCNSJODILO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146718
C[C@H]1CN(CC[C@H]1C2=CC=CC=C2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5C[C@H](O[C@H](C5)C)C	PC-id_150926169	464.279	LFBNONFSHFBPFD-ITTUMRLJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146719
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC=C5C	PC-id_150470085	464.279	HRPQCUJEGMFLHD-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146720
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=C(C=C5)C	PC-id_150572280	464.279	IMCBYFZXEYKSBY-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146721
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC(=C5)C	PC-id_152530378	464.279	YJKIKSIPMKQROF-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146722
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)(C)C5=CC=CC=C5	PC-id_151102977	464.279	MOMSSIHNVBVDHB-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146723
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCCC(CC4)C5=CC=CC=C5	PC-id_150974151	464.279	LOSYLURYCQSYHR-RLAPIPATSA-N	00000010100010110101100010000000000000000000000000000000	25-01-146724
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1sccn1)c2=O	MCULE-9157340851	464.316	IWHITDLPHWKSQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146725
O=C(COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O)Nc1nccs1	PC-id_117588415,ZINC22_256055496	464.316	IWHITDLPHWKSQE-SDQBBNPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-146726
CCOc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)ccc1O	EMOLS-id_324849394	464.322	KGTYUHZOJCVTIJ-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146727
CCOc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1O	EMOLS-id_324848373	464.322	GWTVHZUCBKLGDM-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146728
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)ccc1O	EMOLS-id_324913160	464.322	PZJAEAXPEKWGNZ-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146729
COc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1OC	EMOLS-id_324847858	464.322	HELNVBSRDWNSNM-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146730
COc1cccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1OC	EMOLS-id_324846326	464.322	FDNWAYMWPHBICX-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146731
COc1ccc(OC)c(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324846838	464.322	PUXUJTKBIAKSIK-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146732
n12c(=O)c(=Cc3ccc(O)c(OC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-2778215744	464.322	PZJAEAXPEKWGNZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146733
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)COc1ccc(cc1Cl)Cl	MCULE-4541728794	464.322	PUXUJTKBIAKSIK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146734
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)COc1ccc(cc1Cl)Cl	MCULE-9083158496	464.322	FDNWAYMWPHBICX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146735
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)COc1ccc(cc1Cl)Cl	MCULE-2842386324	464.322	GWTVHZUCBKLGDM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146736
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-6732382274	464.322	HELNVBSRDWNSNM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146737
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-5629541200	464.322	KGTYUHZOJCVTIJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146738
Brc1ccc(C(=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)cc1	PC-id_3583584	464.333	MRSLAUUFLSNLSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146739
Brc1ccc(/C(=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)/C)cc1	PC-id_9626709	464.333	MRSLAUUFLSNLSV-LSHDLFTRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146740
Cc1cc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)ccc1F	EMOLS-id_324917766	464.34	GUKWIXMCSWXAJG-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146741
n12nc(nc1sc(=Cc1ccc(c(C)c1)F)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2529993521	464.34	GUKWIXMCSWXAJG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146742
Cc1csc2nc(Cl)c(/C=c/3sc4nc(COc5ccccc5Cl)nn4c3=O)n12	EMOLS-id_324883974	464.348	IILLNDOLVMFYPI-MLPAPPSSSA-N	00000000100000110001000110000000000000000000000000000000	25-01-146743
Cc1csc2nc(Cl)c(/C=c/3sc4nc(COc5ccc(Cl)cc5)nn4c3=O)n12	EMOLS-id_324842235	464.348	SMAZRWVSJSSWQN-MLPAPPSSSA-N	00000000100000110001000110000000000000000000000000000000	25-01-146744
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1ccccc1Cl	MCULE-3187428303	464.348	IILLNDOLVMFYPI-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-146745
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1ccc(Cl)cc1	MCULE-9134077684	464.348	SMAZRWVSJSSWQN-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-146746
Clc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1Cl	EMOLS-id_324822011	464.366	ODUUNPDVAKJNKU-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146747
Clc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c(Cl)c1	EMOLS-id_324824058	464.366	BMYIAQZBSBHASE-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146748
Clc1cccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)c1Cl	EMOLS-id_324825083	464.366	HTBJWFSWZHHGQN-RGEXLXHISA-N	00000000100000110001000010000000000000000000000000000000	25-01-146749
n12c(=O)c(=Cc3ccc(cc3Cl)Cl)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-4016671572	464.366	BMYIAQZBSBHASE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146750
n12c(=O)c(=Cc3ccc(c(Cl)c3)Cl)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-3455720512	464.366	ODUUNPDVAKJNKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146751
n12c(=O)c(=Cc3cccc(Cl)c3Cl)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8183930475	464.366	HTBJWFSWZHHGQN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146752
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cc(Oc3ccc(cc3)F)cc(c2)N(=O)=O)n1	CoCoCo_225012,BAS-01939690,MCULE-5591425515,EMOLS-id_1359763,PC-id_1129769,ZINC22_869843,TIMTEC171902	464.37	GLMMXFJMQWMVSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146753
Brc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCC)cc1	PC-id_1651171	464.373	QRTISNBAYKBUJW-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146754
c1(NC(=O)C=Cc2cc(Br)ccc2OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-7199242402,PC-id_4383107	464.373	QRTISNBAYKBUJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146755
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CN(CC)C(=O)C)cc1	CoCoCo_6968359,PC-id_991472	464.376	XFPHVAAUDAGGJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146756
Brc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3CCCc23)cc1	PC-id_1328503,EMOLS-id_1997983,MCULE-9618292307,ChEMBL-DNDi_CHEMBL7007058,CoCoCo_866834,ZINC22_16192972	464.376	XHKXTBOOIVCKEQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146757
COc1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc(Br)c1O	EMOLS-id_324904454	464.376	CSDJELITHMDRTK-WJDWOHSUSA-N	00000000100010110001000010000000000000000000000000000000	25-01-146758
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)CCC1CCCCC1	MCULE-3183912022	464.376	CSDJELITHMDRTK-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-146759
O=C(c1c(sc2c1C(C)OC2)NC(=O)c1c(F)cccc1C(F)(F)F)N1CC(C1)(F)F	PC-id_24772091,SCHEMBL2162620	464.381	KIUIZLLOMZMNIQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-146760
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2nc(C)c(s2)n2ccc(C(F)(F)F)n2)n1	MCULE-4357950833,ZINC22_20607641,EMOLS-id_8867922,PC-id_19591192,TIMTEC459416	464.388	SUFORIGTCVCYDK-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-146761
CSc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1	EMOLS-id_324911115	464.388	RUSIEWQTRJOVOB-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146762
n12c(=O)c(=Cc3ccc(SC)cc3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-2310489682	464.388	RUSIEWQTRJOVOB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146763
Brc1cc(c(OC(C)C)cc1)C(=O)NC(=S)Nc1sc2CCCc2c1C#N	PC-id_17052083	464.399	FGPGHNWEDYRAJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146764
Brc1cc(c(OCCC)cc1)C(=O)NC(=S)Nc1sc2CCCc2c1C#N	PC-id_17352139	464.399	IUHWMMAJEJHDID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146765
Brc1c(OCCC)ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	PC-id_17343133	464.399	HVBXLUKDSZDFJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146766
Brc1c(OC(C)C)ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	PC-id_17355858	464.399	NXEOSKRVQLABSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146767
c1(NC(=O)C2C(C2(C)C)/C=C(/Cl)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-5332304043,PC-id_18883979	464.408	BVCOCOPOEHWKKA-UHFFFAOYSA-N	00100010100000101000000010000000000000000000000000000000	25-01-146768
CNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2CCCc12	SCHEMBL19900881,BindingDB-id_799389,PC-id_134285175	464.438	YZDRZPVVZQTPKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146769
COC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc2c1CCC2	MCULE-3195648579,PC-id_2510909,CoCoCo_2839491,ZINC22_3392622,EMOLS-id_15235711	464.446	MMLQBISUEOFXQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146770
Fc1ccc(cc1)OCc1nnn(c1)c1ccccc1OC[C@@]1(C)Cn2c(C1)nc(c2)[N+](=O)[O-]	SCHEMBL18031095,PC-id_122501190	464.449	RPNZXBXSOICHKE-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146771
Fc1ccccc1OCc1nnn(c1)c1ccccc1OC[C@@]1(C)Cn2c(C1)nc(c2)[N+](=O)[O-]	SCHEMBL18031097,PC-id_122501192	464.449	HQRODATYYUBWMU-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146772
COc1cc(cc(c1O)OC)/C=c/1sc2n(c1=O)cc(n2)/C(=C/C=CC(=C)C(F)(F)F)/C	PC-id_121367226,SCHEMBL17787942	464.457	SJWHEAKPYXQROP-IAPQHRPISA-N	00000000100000110001000010000000000000000000000000000000	25-01-146773
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(N)cccc1F)(C)C)c1cc(F)cc(F)c1	PC-id_58524031	464.461	MIZSFCVFPWCNTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146774
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1F)F)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015630,SCHEMBL12879065	464.462	WPEWNVABSYGGAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146775
CCOC(=O)n1nc(c2c1C(C)(C)NC2)Nc1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_121438505,SCHEMBL17872101	464.474	YHYLZFMBZOBOPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146776
O=C(N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F)OC(C)(C)C	SCHEMBL17505268,PC-id_118872331	464.481	ACGJISRKLOFVHK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146777
FC(F)(F)c1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCC(CC2)CN)(C)C)cc1	PC-id_9981895	464.484	ZKQSLYUZWOFGML-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146778
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCc1onc(c1)c1ccc(OC)cc1	PC-id_24577305	464.49	MTBSIAMEIPOOOD-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-146779
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)Nc1nc(OCC)ncc1F	SCHEMBL3327626,PC-id_59333940	464.491	UXPAHQXPMPBMNY-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-146780
COCc1ncc(c(n1)Nc1nn(c2c1CN(C2(C)C)C(=O)OC(C)(C)C)C(=O)OCC)F	SCHEMBL3327744,PC-id_59333984	464.491	VIVMQRJKRJLFNB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-146781
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C(=O)Nc1cccc(c1)C(C)F	PC-id_134599062,SCHEMBL20252963	464.492	IWXSRYPOENHORS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-146782
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_321772540,MCULE-5117221665	464.494	CFJZZDDSBYWURB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146783
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(OC)cc2)sc2c(CCC2)c1C#N	MCULE-1078788397,EMOLS-id_321771772	464.494	SBIZJGJSADWIKC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146784
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccc(cc1)C(=O)NCC(F)(F)F)C)C#N	PC-id_33395084	464.504	HRLJQVGQGKIFHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146785
s1c2CCCc2c(c1NC(=O)CCN(CCC)CC(=O)Nc1c(F)c(F)c(F)cc1)C#N	PC-id_55482215	464.504	ISVONBNKUYVVGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146786
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(cccc1)C(F)(F)F)CC)C#N	PC-id_55482809	464.504	PXIMNLYZPZBSHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146787
C[C@@](CCN1Cc2cc(C#CC#CC3CN(CCF)C3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4457739,SCHEMBL20484973	464.51	APPPIBHSMMZCLT-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146788
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@]1(CCN(C1)C)F)(C(=O)NO)S(=O)(=O)C	PC-id_135315392,SCHEMBL20484860	464.51	UPXFDEJFYWZFBW-BPGUCPLFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146789
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@@]1(CCN(C1)C)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484838,PC-id_135315377	464.51	UPXFDEJFYWZFBW-RTWAWAEBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146790
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@]1(CCN(C1)C)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484858,PC-id_135315390	464.51	UPXFDEJFYWZFBW-NHCUHLMSSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146791
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CCF)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484974,PC-id_135315487	464.51	APPPIBHSMMZCLT-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146792
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1CN([C@@H]1CF)C)(C(=O)NO)S(=O)(=O)C	PC-id_135315348,SCHEMBL20484806	464.51	KFUYHUUENWXAOA-YRISNDGFSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146793
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1CN([C@@H]1CF)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484807,PC-id_135315349	464.51	KFUYHUUENWXAOA-NOORDXFBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-146794
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@]1(F)CCN(C1)C)C	SCHEMBL20484839	464.51	UPXFDEJFYWZFBW-LBAQZLPGSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146795
c1c(nc2n1C[C@@](O2)(COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)C)C)[N+](=O)[O-]	PC-id_6483581,CHEMBL219238	464.514	MVGSWKDUVHMLMV-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-146797
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(Oc3ccc(cc3)C)CC2)cc1)C	PC-id_78413383	464.514	MVGSWKDUVHMLMV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146798
Cc1cc(nn1C)Nc1cc(n[nH]c1=O)c1cc(c(cc1)F)NC(=O)c1cc2c(s1)CCC2	PC-id_91547425	464.515	QYVPWAJZRDRFDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146799
C/C(=C(/C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)N=Nc1ccc(cc1)S(=O)(=O)N)/O	PC-id_135599368	464.515	FRMWTHLJBDLTJH-FQAPNZFASA-N	00000010100000110000000010000000000000000000000000000000	25-01-146800
C/C(=C(C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)/N=Nc1ccc(cc1)S(=O)(=O)N)/O	PC-id_136577458	464.515	FRMWTHLJBDLTJH-OWKJBVBXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146801
CC(=C(C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)N=Nc1ccc(cc1)S(=O)(=O)N)O	PC-id_137122925	464.515	FRMWTHLJBDLTJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146802
COC(=O)c1c(NC(=O)/C(=NNc2ccc(cc2)S(=O)(=O)N)/C(=O)C)sc2c1CCC2	CoCoCo_3692304	464.515	OPCABBLQXYMRDP-KQWNVCNZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146803
COC(=O)c1c(NC(=O)C(=NNc2ccc(cc2)S(=O)(=O)N)C(=O)C)sc2c1CCC2	PC-id_41029766,MCULE-5316565607,EMOLS-id_26156014	464.515	OPCABBLQXYMRDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146804
COC(=O)c1c(NC(=O)/C(=N/Nc2ccc(S(=O)(=O)N)cc2)/C(=O)C)sc2c1CCC2	PC-id_16260120,ZINC22_9349226,CoCoCo_3692303	464.515	OPCABBLQXYMRDP-XQNSMLJCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146805
O=CN(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)C)C(=O)c1ccccc1)c1ccc(cc1)C	PC-id_141257318	464.515	SZUPEURDUCNSIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146806
O=C(Nc1nn(c2c1CN(C2)C(=O)c1ccc(cc1)C)C(=O)c1ccccc1)Cc1ccccc1	PC-id_141257331	464.515	XFPNESGAZARGLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146807
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)Cc1ccccc1	MCULE-6902054442	464.517	SSSPGZVARDGPHM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-146808
NS(=O)(=O)c1ccc(c2ccc(/C=c/sc4nc(Cc5ccccc5)nn4c3=O)o2)cc1	ZINC22_28166549,EMOLS-id_46397880	464.517	SSSPGZVARDGPHM-CPNJWEJPSA-N	00000000101000110001100010000000000000000000000000000000	25-01-146809
O=C(OC1CCn2c1ncc2)NCCc1cccc(c1)CCNC(=O)OC1CCn2c1ncc2	PC-id_141667880	464.517	QQPJGEFFPZSRSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146810
O=C(OC1CCn2c1ncc2)NCCc1cccc(c1)CCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220271	464.517	QQPJGEFFPZSRSG-FIWHBWSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146811
O=C(O[C@@H]1CCn2c1ncc2)NCCc1cccc(c1)CCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19223283	464.517	QQPJGEFFPZSRSG-WOJBJXKFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146812
C[C@H]1CN(Cc2cocn2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_59508316,SCHEMBL6377065	464.52	GSLXVSGRKMDMGK-YSPPHNQVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-146813
C[C@@H]1[C@@H](CCCN1c1cnc(c(n1)Nc1cnn(c1)C)C(=O)N)NC(=O)c1nn2c(c1)CCC2	SCHEMBL18283823	464.524	VVJHIVZLWRAKEV-CZUORRHYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-146814
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)CC)cc1)C(=O)OC	PC-id_23941453	464.598	LGEQJVYDWQRWRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146910
CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cc4c(s3)CCC4)cc2)cc1	PC-id_2547083,EMOLS-id_3370126,ZINC22_3427655,CoCoCo_2840759,MCULE-3587448311	464.533	UJZGRAHGPODXTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146815
CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)sc2c1CCC2	MCULE-3258308794,PC-id_2482261,EMOLS-id_43764120,ZINC22_3364561,CoCoCo_3040210	464.533	YHBZZCGEYVFAKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146816
COc1cc(ccc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)csc2)CC(=O)N(C)C	SCHEMBL2999731,PC-id_68472062	464.533	ZUWOOAFDVXTQJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146817
COC(=O)c1c(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)sc2c1CCC2	PC-id_16332544,ZINC22_9782049,CoCoCo_3145215,MCULE-5189464853,EMOLS-id_11770777	464.533	MGAUAVBBASFLTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146818
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1c(OCc2ccccc2)cccc1)C)C(=O)N	PC-id_52499871	464.533	UFZXYMLANVZSAX-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146819
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1c(OCc2ccccc2)cccc1)C)C(=O)N	PC-id_52499872	464.533	UFZXYMLANVZSAX-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146820
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(OCc2ccccc2)cccc1)C)C(=O)N	PC-id_75859901	464.533	UFZXYMLANVZSAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146821
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OCc2c(cccc2)C)cccc1)C(=O)N	PC-id_45657055	464.533	VEFNUFPUWMWPAS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146822
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)COc1c(c2ccccc2)cccc1)C)C(=O)N	PC-id_24496013	464.533	QXXABTFYKPGXJQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-146823
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)C	BindingDB_PC-id_24765704,PC-id_24765704,SCHEMBL1205804	464.535	GOMMKIIJNUTWRK-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146824
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	SCHEMBL1206517,PC-id_58015595	464.535	ALCBZPVPBFKCLG-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146825
s1c2CCCc2cc1C(=O)OCC(=O)N(c1c(n(CC(C)C)c(=O)[nH]c1=O)N)CCOC	PC-id_42979375	464.535	KBYJFKPEPYRDQA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-146826
s1c2CCCc2cc1C(=O)OCC(=O)N(c1c(n(CCCC)c(=O)[nH]c1=O)N)CCOC	PC-id_43032770	464.535	HWZVEWZGAQTTQX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-146827
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCO)sc2CCCc2c1C#N	MCULE-5202484543,EMOLS-id_332714063	464.537	BHBLTNXXIWAHME-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-146828
c1(NC(=O)C(=O)NN=C(C)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-6641267994,PC-id_4446887	464.537	LLEDPIHHSLKXAY-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-146829
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)cc1	EMOLS-id_324841714	464.537	AVSJVBXGUANVAV-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146830
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccc(cc2)n2cccc2)C)sc2c1CCC2	EMOLS-id_26347721,PC-id_6112676,STOCK4S-69131	464.537	LLEDPIHHSLKXAY-CVKSISIWSA-N	00000010110000110000100010000000000000000000000000000000	25-01-146831
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1ccccc1	MCULE-4976845838	464.537	AVSJVBXGUANVAV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146832
s1c2c(CCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)Cc1occc1	PC-id_73247379	464.537	ACNCFAFZGUOJBV-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-146833
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C=CC2=O)C)C1)C(=O)NCc1occc1	PC-id_78396038	464.537	DRMPUFNWXQVFOW-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-146834
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC=C2)C)C1)C(=O)NCc1occc1	PC-id_73535726	464.537	YAQUTGOROFKTRZ-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-146835
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C=C(C=C2)C)C1)C(=O)NCc1occc1	PC-id_78396753	464.537	USNVINBXBUOMTP-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-146836
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(c1ccc(n2cccc2)cc1)/C)C(=O)OCC	PC-id_6383801	464.537	LLEDPIHHSLKXAY-YSMPRRRNSA-N	00000010110000110000100010000000000000000000000000000000	25-01-146837
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)C(=O)c1occc1	PC-id_16947514	464.537	BXYOLWPRKOPXEY-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-146838
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1c(OC)ccc(NC(=O)C)c1	PC-id_16947649	464.537	QOKZYAXDBPRKNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146839
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(=O)OC)CC(=O)NCCc2ccccc2)C1	PC-id_44053897	464.537	NGADBZUPRRNAAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146840
s1c2CCC(O)c2cc1C(=O)Nc1c(c(C2NNC(=O)C(Nc3ncncc3)C2)ccc1)C	PC-id_76817637	464.54	BBRNPVJORGCYFN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146841
c1(NC(=O)CCC(=O)c2ccc(cc2)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328746,MCULE-5447547522	464.552	ONWJRFQXVUFUKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146842
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2c(CCC2)c1C(=O)OCC	PC-id_1354545,EMOLS-id_2365429,CoCoCo_673842,MCULE-2547488035,ZINC22_1194461	464.555	VWFYYQYWJPHOIH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146843
CCOC(=O)c1c(NC(=O)CN(c2cccc(C(=O)C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408629391	464.555	AIFPQOXEPFAOOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146844
CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc(C(=O)N(C)C)c1C	MCULE-3522116780,CoCoCo_2840769,PC-id_2419615,ZINC22_3304014,EMOLS-id_3178415	464.555	VTXSJOATCUQGGP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-146845
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)NC(=O)OCC	PC-id_41149052	464.555	KATCZBYEAWHMRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146846
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C(=O)NC(=O)OCC	PC-id_41148257	464.555	UWMORQPHHRWCSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146847
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(=O)NC(=O)OCC	PC-id_41146389	464.555	AXCHJYOLXYMXMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146848
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)NC(=O)OC	PC-id_16838067	464.555	MFWXZVRDRMDRTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146849
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_41273613	464.555	VUWPTTIHCCFBPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146850
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)C(=O)NC(=O)OCC	PC-id_41273249	464.555	PDBXBPWGSXSCOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146851
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OC	PC-id_41612455	464.555	OBGJDYUENSDVIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146852
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_41583260	464.555	ISBPPRQWUVHTOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146853
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(c(sc1NC(=O)C)C)C)C(=O)OCC	PC-id_5222376	464.555	UYWVAXPHEFJFEW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-146854
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC(NC(=O)C)c1sccc1)C(=O)OCC	PC-id_55508304	464.555	RWDSYVBNLIQDGN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-146855
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_24154662	464.555	GSXYRISOVCBPOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146856
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)c1ccc(F)cc1	PC-id_16947511	464.555	BJECCAGEFPVQEG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146857
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_16947510	464.555	MSRKVKATEKNLNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-146858
s1c2CCC(C(=O)N3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947189	464.555	CNLXDEOJCVWXGG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146859
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_16827656	464.555	PSMWSHDWSNCTJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146860
S(=O)(=O)(N1CCOCC1)c1c(ccc(NC(=O)COC(=O)c2sc3CCCc3c2)c1)C	PC-id_16505646	464.555	ORRNQQGBPGXLIQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146861
S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc1	PC-id_42978784	464.555	ISHWGUARPKGGIP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146862
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)COC(=O)c2sc3CCCc3c2)c(cc1)C	PC-id_16505643	464.555	RJWVGBLZDYXVCE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146863
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)ccc1	PC-id_42978166	464.555	LANYEGJUDPOTRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146864
COC(=O)c1c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)sc2c1CCC2	PC-id_4858610,MCULE-3438642128,CoCoCo_2987138,EMOLS-id_3481433,ZINC22_9396709	464.557	DECCEIQMPDCPRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146865
s1c2c(CCC2)c(c1NC(=O)C[NH2+]Cc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)OC	PC-id_40490406	464.557	HUQJRBIFEGKFDL-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-146866
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	SCHEMBL11221640,PC-id_56627368	464.558	JHMVONIVEAYPLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146867
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N1CC(C)(C)N(C[C@@H]1C)C)NC(=O)OCC	PC-id_59333942,SCHEMBL3327237	464.558	QMJHRZOMWFZFON-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146868
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC)NC(=O)OCC	SCHEMBL2671705,PC-id_67491651	464.558	KGWTXDPDDZNBSB-CABCVRRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-146869
O=C(N1C(c2n(nc(NC(=O)OCC)c2C1)C(=O)OCC)(C)C)N1C(CN(C(C1)C)CC)C	PC-id_77301944	464.558	KGWTXDPDDZNBSB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146870
O=C(N1CC(N(CC1C)C)(C)C)N1C(c2n(nc(NC(=O)OCC)c2C1)C(=O)OCC)(C)C	PC-id_72257732	464.558	QMJHRZOMWFZFON-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146871
N#CCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_59508188,BindingDB_PC-id_59508188,SCHEMBL597945	464.563	DQWLLJWTMKZRDX-SJORKVTESA-N	00000010100010101001000010000000000000000000000000000000	25-01-146872
CCCCC(C(=O)C=CC1C(Cc2c1cc(o2)CCCCC(=O)OC)OC1CCCCO1)F	PC-id_88698949	464.567	ULXHBNHKPUVFPW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146873
CCCCC(C(=O)C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)F	PC-id_57135693,SCHEMBL10993365	464.567	ULXHBNHKPUVFPW-GJSHEFCXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146874
CCCCC(C(=O)/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)F	SCHEMBL10993360	464.567	ULXHBNHKPUVFPW-WCNMPXFBSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146875
CCCCC(C(=O)/C=C/[C@H]1C(OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)F	SCHEMBL10961895	464.567	ULXHBNHKPUVFPW-ISILNOLISA-N	00000010100010000000000010000000000000000000000000000000	25-01-146876
CCCC[C@@H](C(=O)C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)F	SCHEMBL10993363	464.567	ULXHBNHKPUVFPW-QEFYCHFTSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146877
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NCCCC(=O)OCC	PC-id_45663340	464.575	YAYFOCHRMCUJPT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146878
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)C(C)(C)C)C(=O)OCC	PC-id_29554009	464.575	WOQQVQIZXZCVMP-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146879
s1c2c(c(C(=O)N3CC[NH+](CC3)Cc3ccccc3)c1NC(=O)c1c(F)cccc1)CCC2	PC-id_41299728	464.575	QZCIIXRAZOTKLR-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-146880
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4464791520,EMOLS-id_334329514	464.577	MLFCZSQTOSIPHJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146881
c1(NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8059290867,EMOLS-id_334329516	464.577	SBEXUSDBDOTCAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146882
c1(NC(=O)COc2ccccc2OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8327733171,EMOLS-id_334327976	464.577	XDWYUSAWGNBJRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146883
CCOC(=O)c1ccc(cc1)NC(=O)c1c(NCc2ccccc2OCC)sc2c1CCC2	CoCoCo_6393539,PC-id_3544697	464.577	LWHQCGJYSRBQQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146884
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)CN1CCOCC1)C(=O)OCC	PC-id_55498602	464.578	COKAEZRYYKKURI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-146885
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CC=C)sc2CCCc2c1C#N	MCULE-5992864095,EMOLS-id_331924756	464.58	WSTKZWWCBXZTIP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146886
CCN(CC)c1ccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324893194	464.58	RNMVPSVVUWHPAF-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146887
CCN(CC)c1ccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1	EMOLS-id_324893697	464.58	HQSVGLDTVDHBEH-XLNRJJMWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146888
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9358241231	464.58	RNMVPSVVUWHPAF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146889
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-3214884233	464.58	HQSVGLDTVDHBEH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146890
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)C(CC)c1ccccc1	PC-id_44053584	464.58	YCNOVNBZMCGLER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146891
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)CCCc1ccccc1	PC-id_44053586	464.58	SBQGYKZNTFDPFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146892
S1Cc2c(n(nc2C1)CC(=O)NCCOC)NC(=O)CC(c1ccccc1)c1ccccc1	PC-id_44052959	464.58	GSWKYDDWTFWGHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146893
S1Cc2c(nn(c2NC(=O)c2ccc(OC(C)C)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053823	464.58	UFXIVJSTUCWTKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146894
S1Cc2c(nn(c2NC(=O)c2ccc(OCCCC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053399	464.58	WQKCUONPUDSLJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146895
S1Cc2c(nn(c2NC(=O)Cc2ccc(OCC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053866	464.58	HJNZJCVDGHVNFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146896
S1Cc2c(nn(c2NC(=O)CCc2ccc(OC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053884	464.58	DYCIQDIASFPQMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146897
S1Cc2c(nn(c2NC(=O)COc2ccc(C(C)C)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053354	464.58	XTHUZASJRRAXPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146898
N#Cc1c(NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)sc2c1CCC2	PC-id_16341534,EMOLS-id_43995113,MCULE-6930491537,CoCoCo_4304721,ZINC22_9847680	464.581	QQNPXTKQSHFYFE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-146899
s1c2CCCc2c(c1NC(=O)c1sc(C(=O)Nc2sc3CCCc3c2C#N)cc1)C#N	PC-id_4086195	464.583	RMTQYMNUGHFLGJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-146900
CC(CCNC(=O)c1cc2CCCc2n1Cc1ccccc1)c1cccc(c1)c1ccc(O)cc1	MCULE-8881760023,EMOLS-id_328214139	464.598	GHMAZGCXKRIVTJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-146901
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)sc2c1CCC2	PC-id_110827856	464.598	FYPUNOZMRPOYRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146902
CCOC(=O)c1c(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408602005	464.598	BMWCLVPEYJMNKE-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146903
CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408602006	464.598	BMWCLVPEYJMNKE-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146904
CCOC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408606419	464.598	KHOJCMZGWCCOGV-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146905
CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408606422	464.598	KHOJCMZGWCCOGV-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146906
CCOC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616374	464.598	YERGHJHXOPJEIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146907
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)C)cc1)C(=O)OCC	PC-id_23735504	464.598	LXWNGGKRECJKQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146908
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1)C(=O)OC	PC-id_23855810	464.598	YBVWEHYAHIXQGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146909
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1ccccc1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_78266449	464.6	TVGPBTBSPSWGTN-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-146911
s1c2c(CCC2)c(c1NC(=O)C[NH2+]CCc1ccccc1)C(=O)Nc1ccc(OCC)cc1	PC-id_2582695	464.6	YHKZRYIZURGMRP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-146912
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@@H](c1ccccc1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_2297185	464.6	TVGPBTBSPSWGTN-QGZVFWFLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-146913
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1ccccc1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_5662926	464.6	TVGPBTBSPSWGTN-KRWDZBQOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-146914
O=[S@@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1	CoCoCo_4985595,PC-id_11863935	464.601	JMYYCPVKFGYISI-PMERELPUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146915
[O-][S+]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1	PC-id_2160470,ChEMBL-DNDi_CHEMBL1333414,CHEMBL1333414	464.601	JMYYCPVKFGYISI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146916
O=[S@]1Cc2c(C1)c(n(n2)C(C)(C)C)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1	PC-id_40432674,CoCoCo_4985596	464.601	JMYYCPVKFGYISI-SSEXGKCCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146917
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)C(C)C)C(=O)OC	PC-id_19716918	464.601	UQFFLHGAAKBWGD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146918
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)CC)C(=O)OCC	PC-id_19716187	464.601	YIJHLTIDCDFIBK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-146919
C[N@@H+]1CC[C@H](CC1)C(=O)N1Cc2c(C1(C)C)n[nH]c2NC(=O)c1ccc(cc1)c1cscc1	GD-id_ZINC45356792	464.603	HMVHJLPGXJQRMM-UHFFFAOYSA-O	00000010100110110001100010000000000000000000000000000000	25-01-146920
CC(C)Cn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1N1CCOCC1	MCULE-2058442964,EMOLS-id_17171388,CoCoCo_4027004,PC-id_24235502,ZINC22_12778562	464.605	IFXNJBWKZRIVNX-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-146921
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NCCCOC(C)C)C)C(=O)N	PC-id_56483647	464.621	VZELXDIVLURHST-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146922
s1c2c(CCC2)c(c1NC(=O)CCN(C1CCN(CC1)C(=O)c1ccccc1)CCC)C#N	PC-id_56380961	464.623	CVQPDJARIGSUMK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146923
CCOC(=O)n1nc2c(c1NC(=O)C1(CC1)[Si](C)(C)C)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_140817140	464.631	CAEKAMALBFLQCI-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-146924
c1(NC(=O)CS(=O)C(C)C(=O)OC2CC(CCC2C(C)C)C)sc2c(CCC2)c1C#N	EMOLS-id_320676461,MCULE-7908303379	464.641	KIDAQEZCGUWLKF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146925
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCC)CCC)c2CSCc2nn1C(C)(C)C	EMOLS-id_5426277,ChEMBL-DNDi_CHEMBLF0396-0177,PC-id_4081479,ZINC22_9363799,CoCoCo_4972677,MCULE-4804148753	464.644	WFVODBFYQFRJPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146926
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1cccs1	SCHEMBL19537126	464.644	YEWKZUSQZFNTSW-UHFFFAOYSA-N	00001010100100000001000010000000000000000000000000000000	25-01-146927
CC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)OC1CCCCC1	SCHEMBL19537138	464.664	VQOPXXSYWYKJJJ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-146928
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCC(C)C)cc1	PC-id_17050756	466.389	WZXFDPRDELEPCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147246
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1ccccc1	MCULE-2750141914	464.72	NMCMALMITSXMSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146929
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(COc3ccccc3)nn2c1=O	EMOLS-id_324842231	464.72	NMCMALMITSXMSY-AUWJEWJLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-146930
Clc1c([N+](=O)[O-])cc(/C=C/C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_41356448	464.876	HOIBZQYPRYIHSP-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146931
Clc1c([N+](=O)[O-])cc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_74757879	464.876	HOIBZQYPRYIHSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146932
Clc1c(OC)c(OC)cc(c1)C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_3949994	464.919	SOVAVNZVTQHSAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146933
Clc1c(OC)c(OC)cc(c1)/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_5967213	464.919	SOVAVNZVTQHSAJ-VOTSOKGWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146934
Clc1ccc(C(=O)c2c(C(=O)OCC(=O)Nc3sc4CCCc4c3C#N)cccc2)cc1	PC-id_16540375	464.921	QJKTULPSBAOEQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146935
Clc1ccc(C(NC(=O)N)CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_24380791	464.923	KKXJBLBUQAACDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146936
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1ccc(cc1)CCl)C(=O)O	PC-id_91011574	464.942	MFDIXKFLMPXHNM-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-146937
NC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)sc2c1CCC2	MCULE-6080268849,EMOLS-id_16773828,ZINC22_12675698,PC-id_24661503,CoCoCo_2852518	464.946	LFZMBBLAYKKTIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146938
NC(=O)c1c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)sc2c1CCC2	EMOLS-id_13482242,CoCoCo_3110758,MCULE-9205239055,ZINC22_14141887,PC-id_17564576	464.946	RXYMROGMXMEGIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146939
Clc1cc(C(C)C)c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1C	PC-id_29342515	464.962	JEGRUICCWULXGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146940
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2)ccc(F)c1	PC-id_20174028	464.964	LTYFHHKFBCTANP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146941
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2)c(F)ccc1	PC-id_20173259	464.964	XIEQIMAYZGXULU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146942
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)c(F)ccc1	PC-id_20167702	464.964	NWQCQXPCOJBMQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146943
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C#N)ccc1OCc1ccc(Cl)cc1	EMOLS-id_327842904	464.964	GGEXVIDKIRRFDY-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146944
C(=O)(Nc1sc2CCCc2c1C#N)C=Cc1ccc(OCc2ccc(cc2)Cl)c(OC)c1	MCULE-5382605218	464.964	GGEXVIDKIRRFDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146945
Clc1cc(NC(=O)CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(OC)cc1	PC-id_24506708	464.966	IEMXTJHZQYVQJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146946
Clc1cc(NC(=O)CN([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(OC)cc1	PC-id_26300266	464.966	IEMXTJHZQYVQJS-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-146947
Clc1cc(NC(=O)CN([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(OC)cc1	PC-id_26300268	464.966	IEMXTJHZQYVQJS-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146948
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CSC2)C(=O)Nc1ccc(cc1)Cl)C(=O)O	SCHEMBL20339096,PC-id_135187042	464.985	ZTGBSFUYJPDDEH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146949
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)SCC2)C(=O)Nc1ccc(cc1)Cl)C(=O)O	SCHEMBL20339102,PC-id_135187045	464.985	WKFCAHPQZSLRFP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146950
Clc1cccc(c1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_321756210,MCULE-3597527529	464.989	ZKOZPKMQCSQTMZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146951
Clc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_321758261,MCULE-7300927979	464.989	YLFCNTHYDWJKNB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146952
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	ZINC22_34864618,EMOLS-id_3434225,PC-id_3907763,MCULE-7203608586,CoCoCo_3573884	464.989	YWRYNKYQVXQQSP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146953
c1(NC(=O)CSc2nc(C)cc(c3ccc(cc3)Cl)c2C#N)sc2c(CCC2)c1C#N	EMOLS-id_3750222,CoCoCo_6930137,STOCK2S-90442,SPECS-id_AM-807/14147462,MCULE-3222928932,PC-id_1005163,ZINC22_663333	464.99	SKIFQVDZGZKECX-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-146954
c1(NC(=O)C2CC2c2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334332832,MCULE-7773600983	465.007	BNILCMVFXHUBIV-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-146955
Clc1c(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]CC[NH+]2CCOCC2)cccc1	PC-id_2297552	465.009	UTBLOTOOFRSBTP-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-146956
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)C(C1CCN(CC1)C(=O)OC(C)(C)C)O	SCHEMBL17413560,PC-id_118642084	465.009	AIBJRKMJGHTMAD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-146957
BrC(c1sc2c(CCC2)c1)c1c(Br)cc(c(Br)c1)C	PC-id_81471007	465.041	GAAYBXZYWDCODT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146958
CC1=C(N2CCCC2=C1NS(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278826	465.085	WYWWRRLQPUIKGN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-146959
CC1(CCOCC1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_164801018	465.127	LQIUBTNXKPNUII-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-146960
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4	PC-id_164931914	465.128	YVSCESGDPDROPC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146961
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164931970	465.128	YVSCESGDPDROPC-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146962
CC1=C(C=NN1CCF)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4F	PC-id_164931905	465.128	DYERLVUXPADAAL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146963
CC1=C(C=NN1CCF)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4F	PC-id_164931924	465.128	DYERLVUXPADAAL-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146964
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4)CC(F)F	PC-id_164931885	465.128	ALBDVZYYDUWBJX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146965
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4)CC(F)F	PC-id_164931910	465.128	ALBDVZYYDUWBJX-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146966
C[C@H]([C@H](C1=CC=CC=C1)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F)O	PC-id_164931895	465.128	OPFKXTZEIGXGKO-BFUOFWGJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146967
C[C@@H]([C@H](C1=CC=CC=C1)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F)O	PC-id_164931911	465.128	OPFKXTZEIGXGKO-ORAYPTAESA-N	00000010100000110001000010000000000000000000000000000000	25-01-146968
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CCOCC=C	PC-id_78141265	465.134	FQJUJHMUWPPRSG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-146969
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CCOCC=C	PC-id_71658298	465.134	FQJUJHMUWPPRSG-KFNAQCHYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-146970
CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=C(C3)SC=C4)CC(=O)O)OC	PC-id_151769840	465.161	RSIXKGAHJCSIKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146971
CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CSC=C4C3)CC(=O)O)OC	PC-id_161012411	465.161	TXHKUFJOFGIOPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146972
c1(NC(=O)c2cc(c(Br)s2)Br)sc2c(CCC2)c1C(=O)OC	MCULE-4751111990,PC-id_19205204	465.18	WENBZBXOXPHAOP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-146973
CC1(CCC(CC1)CC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)O)Cl	PC-id_164976782	465.192	LJCOXLCOAQCTKH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146974
CC1(CCC(CC1)C(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Cl	PC-id_165018193	465.192	QIEVDOANQXJCPY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-146975
C1(C)(C(=O)Nc2sc3c(CCC3)c2C(=O)OC(C)C)CC1(Br)Br	MCULE-6289263331,SPECS-id_AK-968/15608846,TIMTEC459182,EMOLS-id_5126356,PC-id_4444665	465.2	STZHQKPCNJCNLG-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-146976
CCCCCCCCCC(=O)N1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_140256983	465.2	URYPFCFZAKWBLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-146977
CC(C)OC(=O)c1c(NC(=O)[C@]2(C)CC2(Br)Br)sc2c1CCC2	CoCoCo_5828307,ZINC22_2091203,PC-id_1748230	465.2	STZHQKPCNJCNLG-HNNXBMFYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-146978
CC(C)OC(=O)c1c(NC(=O)[C@@]2(C)CC2(Br)Br)sc2c1CCC2	ZINC22_2091201,CoCoCo_5828308,PC-id_1748228	465.2	STZHQKPCNJCNLG-OAHLLOKOSA-N	00100010100000000000000010000000000000000000000000000000	25-01-146979
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CN=C(N=C3)N4CCCN(CC4)CC5=CC=CC=C5	PC-id_149413155	465.212	YRQQIHKDYLSYLR-HSZRJFAPSA-N	00000010100000110101100010000000000000000000000000000000	25-01-146980
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C)c1ccccc1	PD128520,SCHEMBL1205830,PC-id_16202256,BindingDB_PC-id_16202256	465.22	XFMZYCHKCPPZQW-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146981
CC1=N[NH+](C(=C1C(=O)Nc1ccccc1)N=Nc1c2[NH+](N=C(n2nc1C(C)(C)C)C(C)C)[O-])[O-]	PC-id_163771630	465.224	MGYNRINQCCWQIQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-146982
CC1(C2=C(CN1C(=O)NC3(CC3)CN(C)C)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_153631892	465.249	RXRUNKOMYBBTKW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-146983
CC1(C2=C(CN1C(=O)NC3CCCN(C3)C)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_154963563	465.249	LKHUEPLQVFISLZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146984
CC1(C2=C(CN1C(=O)N[C@H]3CCCN(C3)C)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_153631905	465.249	LKHUEPLQVFISLZ-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-146985
COC(=C)c1sc(c2c1CCC2)C(=O)/C=C(C(F)(F)F)/c1cc(Cl)c(c(c1)Cl)F	PC-id_144476684	465.289	DZBXYMXUWVAILF-JYRVWZFOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146986
Clc1cc(S(=O)(=O)Nc2cc(/C(=N/Cc3n4CCCc4nn3)/[O-])ccc2)ccc1Cl	PC-id_37334417	465.333	SUTLANRSWYMXGV-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-146987
Clc1c(S(=O)(=O)Nc2ccc(/C(=N/Cc3n4CCCc4nn3)/[O-])cc2)cc(Cl)cc1	PC-id_37337410	465.333	DWNZRCANCFXOOQ-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-146988
Clc1c(S(=O)(=O)Nc2cc(/C(=N/Cc3n4CCCc4nn3)/[O-])ccc2)cc(Cl)cc1	PC-id_37334422	465.333	XAWFJUGMQYBMEK-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-146989
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	TIMTEC393032,ChEMBL-DNDi_CHEMBL7811586,MCULE-1224204230,PC-id_1297902,CoCoCo_997531,ZINC22_1121218,EMOLS-id_2003683	465.35	PYDAIULGZYKFNL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-146990
c1(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343584,MCULE-1496604578	465.35	HAEQZFIQYPXXEV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-146991
c1(NC(=O)c2c(C)onc2c2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	CoCoCo_683606,ZINC22_2093148,SPECS-id_AK-968/37156011,EMOLS-id_2095571,PC-id_1749987,TIMTEC197911,MCULE-1039458994	465.35	HOUZESBWTUEORX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-146992
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3414503916,EMOLS-id_334336939	465.35	NTSPJANEFQFCPN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-146993
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339242,MCULE-2275659490	465.35	XXBLTUYXPHVQLV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-146994
c1(NC(=O)C=Cc2cc(c(OC)c(Br)c2)OC)sc2c(CCC2)c1C(=O)NC	MCULE-1115334285	465.361	USKBRQNEGIXOPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146995
CNC(=O)c1c(NC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)sc2CCCc12	EMOLS-id_334330583	465.361	USKBRQNEGIXOPC-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-146996
Brc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc1	PC-id_44053150	465.364	FNXPDISWWAZZAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146997
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)ccc1	PC-id_44053149	465.364	CHFTVXDOJIWZPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146998
Brc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cccc1	PC-id_44053148	465.364	HMZNNOAQCKDFEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-146999
FC(F)(F)Oc1ccc(Oc2ccc(COCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5537650,PC-id_69479881	465.379	PSDCLTDNADIXPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147000
N#Cc1c(NC(=O)CSc2nnc(c3cc(Cl)ccc3Cl)n2N)sc2c1CCC2	MCULE-1452211108,EMOLS-id_3413790,ZINC22_9439765,PC-id_4845812,CoCoCo_3640691	465.379	ZZLUNNVWMKRSAM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147001
Brc1ccc(cc1)C(=O)CCS(=O)CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_320679789,MCULE-6107101287	465.384	SJJBAKYEYDCXIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147002
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)O)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758731	465.389	ZZPVJYWRFRZAEQ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147003
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5363637391	465.393	RBJFXBQENUJRBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147004
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3791690691	465.393	JYNMFUJLKQZLAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147005
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1Cl	EMOLS-id_334334375	465.393	JYNMFUJLKQZLAW-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147006
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)c(Cl)c1	EMOLS-id_334332838	465.393	RBJFXBQENUJRBY-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147007
Clc1c(NC(=O)CN(CCC(=O)Nc2sc3CCCc3c2C#N)CC)c(Cl)ccc1	PC-id_55482399	465.396	IHEDYQLMDYCPBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147008
Clc1c(NC(=O)CN(CC(=O)Nc2sc3CCCc3c2C#N)CCC)ccc(Cl)c1	PC-id_24428403	465.396	MDJIGCMHCGMJQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147009
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)C)sc2c(CCC2)c1C(=O)N	PC-id_19206261,MCULE-9942741376	465.404	WHWWOTDTSFJTDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147010
c1(NC(=O)CCCOc2ccc(cc2Br)CC)sc2c(CCC2)c1C(=O)NC	MCULE-2403435609,EMOLS-id_334328282	465.404	GWCXPFTYRPBUOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147011
c12cc(sc1n(nc2C(F)(F)F)C)C(=O)NCCCn1nc2CCCc2c1C(F)(F)F	ZINC22_20617069,MCULE-4854566005,TIMTEC395861,PC-id_29097570,EMOLS-id_17075621	465.416	QBHFFOIEFVREBR-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-147012
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_16947256	465.421	IMIIXXFJFZKMPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147013
CCC(C(=O)NCC(C)Cn1nc(cc1C)C(F)(F)F)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867994,TIMTEC186554,PC-id_19591226,MCULE-2341296410	465.436	HCBKZKPOAJRTTN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147014
CC[C@H](C(=O)NC[C@H](C)Cn1nc(C(F)(F)F)cc1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092506,ZINC22_20607599	465.436	HCBKZKPOAJRTTN-SMDDNHRTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147015
CC[C@@H](C(=O)NC[C@@H](C)Cn1nc(C(F)(F)F)cc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607596,PC-id_29092503	465.436	HCBKZKPOAJRTTN-RISCZKNCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147016
CC[C@H](C(=O)NC[C@@H](C)Cn1nc(C(F)(F)F)cc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607597,PC-id_29092504	465.436	HCBKZKPOAJRTTN-BXUZGUMPSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147017
CC[C@@H](C(=O)NC[C@H](C)Cn1nc(C(F)(F)F)cc1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607598,PC-id_29092505	465.436	HCBKZKPOAJRTTN-FZMZJTMJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147018
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COCc1ccc(cc1)c1ccc(cc1)OC(F)(F)F	PC-id_137638116	465.446	GHXMDSXCRADJIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147019
FC(F)(F)c1cccc(c1)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	EMOLS-id_45970468,ZINC22_16779444,GD-id_ZINC16779444	465.447	IMYFQJHDVXEYAQ-BOIKWEOWSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147020
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccccc1	MCULE-9056794403	465.447	IMYFQJHDVXEYAQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147021
O=c1c(=Cc2ccc(c3cccc(C(F)(F)F)c3)o2)sc2nc(/C=C/c3ccccc3)nn12	ZINC22_254844303	465.447	IMYFQJHDVXEYAQ-YEIFBCEDSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147022
Fc1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68990160,SCHEMBL4292201	465.449	PKHUELRZANOTIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147023
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(N)cccc1F	SCHEMBL1372869,PC-id_57749884	465.449	DHGXKTSVKDPAJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147024
CC(C1Cn2c(N1C(C(P(=O)(O)O)(P(=O)(O)O)C(C)C)(C(C)C)C(C)C)ncc2)C	SCHEMBL9761393,PC-id_88511747	465.461	WEGMTTDNFSELRR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147025
CC(OP(=O)(C(P(=O)(OC(C)C)OC(C)C)CN1CCn2c1ncc2)OC(C)C)C	SCHEMBL9760960,PC-id_10600243	465.461	OKSIDLBSETYUTK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147026
CCOC(=O)c1c(NC(=O)COC(=O)/C=Cc2ccc(cc2)OC(F)F)sc2c1CCC2	CoCoCo_3091106	465.467	IJHLWRWKKUSYTR-FLIBITNWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147027
CCOC(=O)c1c(NC(=O)COC(=O)C=Cc2ccc(cc2)OC(F)F)sc2c1CCC2	MCULE-3955903541,PC-id_4692488,EMOLS-id_43778244	465.467	IJHLWRWKKUSYTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147028
CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)sc2c1CCC2	CoCoCo_3091105,ZINC22_3317711,PC-id_2433440	465.467	IJHLWRWKKUSYTR-DHZHZOJOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147029
C1c2c(CN1Cc1cc(c(cc1)C#N)OC(F)F)sc(n2)NC(=O)Cc1ccc(cc1)C#N	SCHEMBL19771946,PC-id_134170778	465.475	XLRRECINAQYADD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147030
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(F)cc1)C(=O)OC	PC-id_4408790	465.475	IGCCRVIJTOVWPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147031
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(F)cccc1)C(=O)OC	PC-id_4087781	465.475	OWBCERZJONAVSU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147032
CS(=O)(=O)OC1CC(N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])CN1CCc2nccn12	PC-id_88466703	465.48	GAYOPHPVIXOMQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147033
O=C(N1C[C@@H](C[C@H]1CN1CCc2n1ccn2)OS(=O)(=O)C)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9461413	465.48	GAYOPHPVIXOMQF-DLBZAZTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-147034
O=C(N1C[C@@H](C[C@H]1CN1CCn2c1ccn2)OS(=O)(=O)C)OCc1ccc(cc1)[N+](=O)[O-]	PC-id_57250747,SCHEMBL9461409	465.48	SAPBQAKWQUDAOC-DLBZAZTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-147035
S(=O)(=O)(OC1CC(N(C1)C(=O)OCc1ccc([N+](=O)[O-])cc1)CN1CCn2nccc12)C	PC-id_21662686	465.48	SAPBQAKWQUDAOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147036
c1(NC(=O)c2cc(on2)c2ccc(c(F)c2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_2648269,ZINC22_11915642,TIMTEC390779,PC-id_16455040,MCULE-3436701393,CoCoCo_2261516	465.497	PVRBMDVWAIDPAA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-147037
COCCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1	BindingDB-id_546116,SCHEMBL3356134,PC-id_59333958,BindingDB_PC-id_59333958	465.497	JPEPNPZDXMQVKW-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-147038
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2F)C)sc2c(CCC2)c1C#N	EMOLS-id_321906928,MCULE-9457823523	465.5	MKCGYNCQJNHAPC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147039
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(c(F)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_321907184,MCULE-7626467477	465.5	ALUBZCNXRIOUEV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147040
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccccc2F)sc2c(CCC2)c1C#N	EMOLS-id_321873531,MCULE-8637443135	465.5	UAJHBYXQUHCMDI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147041
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccc(F)cc2)sc2c(CCC2)c1C#N	MCULE-2597917041,EMOLS-id_321872505	465.5	MCPCBSVBCDCPSU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147042
N#Cc1c(NC(=O)CC[N@H+](Cc2ccc(cc2)C(=O)NCC(F)(F)F)C)sc2c1CCC2	GD-id_ZINC26154955	465.512	HRLJQVGQGKIFHT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-147043
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)c1ccccc1)C(=O)OC	PC-id_4192346,SPECS-id_AF-399/13428157,EMOLS-id_603617,TIMTEC544328,SPECS-id_AT-225/NB59950,MCULE-2944090111	465.518	XFCGJEZYCMNNFU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-147044
COC(=O)c1c(NC(=O)COc2ccc(c3ccccc3)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_978530,ZINC22_622373,CoCoCo_5840087	465.518	XFCGJEZYCMNNFU-GOSISDBHSA-N	00000010100000110000100010000000000000000000000000000000	25-01-147045
COC(=O)c1c(NC(=O)COc2ccc(c3ccccc3)cc2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744159,PC-id_1553466,CoCoCo_5840086	465.518	XFCGJEZYCMNNFU-SFHVURJKSA-N	00000010100000110000100010000000000000000000000000000000	25-01-147046
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_16500371	465.518	ISNMYOKIBIHZTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147047
CC1(c2c(CN1C(=O)OC(C)(c1ccccc1)N(C)C)c(n[nH]2)NC(=O)c1ccc(cc1)F)C	PC-id_89801119,SCHEMBL15252792	465.52	NTGODORKRMERDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147048
CCOc1cc(ccc1OC)[C@@H](N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CCS(=O)[O-]	PC-id_139401356	465.52	ZZZVNZQMJPDLPX-AWEZNQCLSA-M	00000010100000110000000010000000000000000000000000000000	25-01-147049
CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)NC(CC)(CC)C2=O)sc2c1CCC2	MCULE-7596824989,CoCoCo_2865080,EMOLS-id_43705643,ZINC22_13040469,PC-id_25687423	465.52	CGPJXZXBRPSMKD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147050
CN(C(c1ccccc1)COC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_66941577,SCHEMBL1205724	465.52	HIJMOEKCZCZDQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147051
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)C	PC-id_66941232,SCHEMBL1204672	465.52	AOTJNJKIVOCVNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147052
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	SCHEMBL1205836,PC-id_58015621	465.52	XFMZYCHKCPPZQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147053
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)C	PC-id_58015685,SCHEMBL1204669	465.52	AOTJNJKIVOCVNB-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147054
CNC[C@H](C1=CC=CC=CC1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_143492489	465.52	HYVUMZWPRYRHQF-HXUWFJFHSA-N	00000010100000110111000010000000000000000000000000000000	25-01-147055
CN(CC(OC(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccc(cc1)F)Cc1ccccc1)C	PC-id_143492513	465.52	SEFDYTBDKAPGOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147056
CN([C@H](c1ccccc1)COC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_58015604,SCHEMBL1205721	465.52	HIJMOEKCZCZDQC-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147057
CN([C@@H](c1ccccc1)COC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_66941576,SCHEMBL1205723	465.52	HIJMOEKCZCZDQC-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147058
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334334369,MCULE-7276423250	465.522	HKUMKAAEOMBGSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147059
Cc1ccc(cc1)O[C@@H]1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)[nH+]c(c2)[N+](=O)[O-]	GD-id_ZINC34086767	465.522	MVGSWKDUVHMLMV-RUZDIDTESA-O	00000010100010110001100010000000000000000000000000000000	25-01-147060
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)CC(=O)NCc1ccccc1	SCHEMBL14056720,PC-id_89238039	465.522	AYGBAXGMYCTNSF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147061
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1	PC-id_89236858,SCHEMBL14055391	465.522	LNHCKPJINCPWRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147062
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)CCc1ccccc1	SCHEMBL14056626,PC-id_89237958	465.522	RYKFHWIPHIWIKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147063
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cccc(c1)NC(=O)CCc1ccccc1	SCHEMBL14057382,PC-id_89238612	465.522	OZQVTIYQHTYHOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147064
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)Cc1ccc(cc1)NC(=O)Cc1ccccc1	PC-id_89236172,SCHEMBL14054418	465.522	NISMCPVTGLLILJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147065
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccc1)C	SCHEMBL14056224,PC-id_89237594	465.522	ILFAEYVULQYJGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147066
CCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC	ZINC22_27022081,EMOLS-id_45970308	465.522	YSBFCYNATJUMMN-HCYZRJLASA-N	00000000100000110001000010000000000000000000000000000000	25-01-147067
COc1cccc(c1)NC(=O)COc1ccc(cc1)C(=O)NNC(=O)c1sc2c(c1)CCC2	EMOLS-id_30230086,PC-id_26872673,MCULE-2546800613	465.522	FWISXDIAHRTVRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147068
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4614622814	465.522	YSBFCYNATJUMMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147069
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_16947894	465.522	WYPKIGIGMLLBAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147070
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_16948052	465.522	CBJHKEVYDLJFSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147071
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N[C@H](CN(C)C)c2ncccc2)(C)C)cc1	PC-id_24765705	465.523	PZXGVDABJPKANM-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147072
c1(NC(=O)COc2nonc2CC(=O)Nc2ccccc2C(C)C)sc2CCCc2c1C#N	MCULE-6334079343,EMOLS-id_333650834	465.525	XKEHAYSIUINBHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147073
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(C(C)C)cc2)sc2CCCc2c1C#N	MCULE-4239397623,EMOLS-id_333646495	465.525	AWAMVXMKGXLGLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147074
c1(NC(=O)COc2nonc2CC(=O)NCCc2ccc(C)cc2)sc2CCCc2c1C#N	EMOLS-id_333685328,MCULE-9501645874	465.525	QEMFTMQLXFNIHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147075
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(c2)C(C)(C)C)sc2CCCc2c1C#N	EMOLS-id_333677047,MCULE-7176222209	465.525	XMEFRTIROAKXKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147076
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)C(C)(C)C)sc2CCCc2c1C#N	EMOLS-id_333679605,MCULE-4610360821	465.525	IZMHSMOCEWRJBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147077
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)CCCC)sc2CCCc2c1C#N	EMOLS-id_333680116,MCULE-7935449261	465.525	QRSUSOPCTVCXQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147078
c1(NC(=O)COc2nonc2C(=O)NCCCCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333714492,MCULE-8763685290	465.525	LYWSIBVPZZWVFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147079
O=C(Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1)Cc1ccc(cc1)N1CCCC1=O	SCHEMBL2920531,PC-id_68441310	465.525	NYJFKQYWRIBNLK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147080
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccccc3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053318	465.525	KGUKSZRFTOIKQH-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-147081
S1Cc2c(nn(c2NC(=O)c2c(c([N+](=O)[O-])ccc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053844	465.525	AJXPXFOKESUAEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147082
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])c(cc2)C)CC(=O)NCCc2ccccc2)C1	PC-id_44053845	465.525	SCKWRIPOZYZQIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147083
S1Cc2c(nn(c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053868	465.525	BPXPMQFXRJZBHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147084
c1(NC(=O)COc2cccnc2NC(=O)NCCCn2ccnc2)sc2c(CCC2)c1C#N	EMOLS-id_321872507,MCULE-8015765413	465.528	YLTUZQIBTSFGHZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-147085
C([2H])([2H])([2H])S(=O)(=O)C(C)(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CCO)C(=O)NO	PC-id_135315337,SCHEMBL20484793	465.538	PCBKVWPRZYCNFU-BMSJAHLVSA-N	00001010100000000001000010000000000000000000000000000000	25-01-147086
OCCN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C([2H])([2H])[2H])(C(=O)NO)C	PC-id_140318970	465.538	PCBKVWPRZYCNFU-LHPFAIHXSA-N	00001010100000000001000010000000000000000000000000000000	25-01-147087
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC(C)C)c2=O)C=Cc1ccc(cc1)F	MCULE-2940011835	465.54	HNUXVCPYDXVIQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147088
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-6274030332	465.54	UDUSURRHTLYYGW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147089
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-6756063121	465.54	VAZTYCCYLFYRDP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147090
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC	PC-id_3667598	465.54	YXXWCOOHCIEYLY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-147091
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(ccc(S(=O)(=O)C)c1)C)C(=O)OCC	PC-id_16518137	465.54	YXDDAVUAFANDER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147092
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CS(=O)(=O)C)cc1)C(=O)OCC	PC-id_41238279	465.54	OCFOPLNURAGBAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147093
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCO)CCO)sc2CCCc2c1C#N	EMOLS-id_333773138,MCULE-2087417875	465.543	BGRBLBOGRHGPKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147094
c1(NC(=S)NNC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)OC	TIMTEC481122,PC-id_4508594,EMOLS-id_4149357,MCULE-7539070586,CoCoCo_6798222	465.543	UMHUZIXCGUQCOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147095
CCOC(=O)c1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nc(=O)[nH]c1C	PC-id_121054160	465.543	FZVJUXIHDWJTCA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-147096
NC(=O)c1c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2	CoCoCo_3154597,PC-id_16361867,ZINC22_12568433,MCULE-5508577784,EMOLS-id_11807882	465.543	IQMPHSNHKXBGSK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147097
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(ccc(S(=O)(=O)NCC)c1)C)C(=O)N	PC-id_24379606	465.543	FVCSXAHZDHYHPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147098
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN(S(=O)(=O)c1ccc(cc1)C)C)C(=O)N	PC-id_3679530	465.543	XOJYDVVGNFVBFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147099
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNS(=O)(=O)c1cc(c(cc1)C)C)C(=O)N	PC-id_4297164	465.543	NFYKAEGGIHXRCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147100
S(=O)(=O)(N1CCCC1)c1cn(CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(=O)cc1	PC-id_24372959	465.543	XFKBLSYXAHUXGL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147101
CCc1cc(no1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(CN(C)C)c1ccccc1	SCHEMBL15252711,PC-id_89801042	465.548	PNALXPOZTBDQLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147102
CCc1onc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL12879423,PC-id_58015665	465.548	PNALXPOZTBDQLH-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147103
N#Cc1cncc(c1)c1ccc(cc1)NC(=O)C1CCc2c1nc(s2)NS(=O)(=O)C1CC1	SCHEMBL21044288,PC-id_138673733	465.548	VQPSXRBLPWLBRS-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-147104
N#Cc1cncc(c1)c1ccc(cc1)NC(=O)C1CCc2c1sc(n2)NS(=O)(=O)C1CC1	PC-id_138701329,SCHEMBL21077066	465.548	DFOIQQXRYPNPES-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-147105
CC1(c2c(CN1C(=O)Nc1c(c(ccc1)F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195436,SCHEMBL20348567	465.56	YHDREACZGRKROW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147106
CC1(c2c(CN1C(=O)Nc1c(ccc(c1)F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195439,SCHEMBL20348571	465.56	BNDHAEJWSDBMEJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147107
CC1(c2c(CN1C(=O)Nc1c(cccc1F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195445,SCHEMBL20348577	465.56	GPEVVHXHQOJKBJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147108
CC1(c2c(CN1C(=O)Nc1c(cc(cc1)F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348506,PC-id_135195381	465.56	KKHAKPOTKKPTIC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147109
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	MCULE-9616182738,CoCoCo_2666504,EMOLS-id_16383090,PC-id_3284733	465.563	JMIMAVJVQAABGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147110
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)C)C(=O)N	PC-id_51875428	465.563	LWHYNQNKRXRNLI-QWHCGFSZSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147111
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)C)C(=O)N	PC-id_51875429	465.563	LWHYNQNKRXRNLI-CHWSQXEVSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147112
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)[C@H]1CCCN(C1)C(=O)OC(C)(C)C)C)C(=O)N	PC-id_51875430	465.563	LWHYNQNKRXRNLI-STQMWFEESA-N	00000010100010000000000010000000000000000000000000000000	25-01-147113
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)[C@H]1CCCN(C1)C(=O)OC(C)(C)C)C)C(=O)N	PC-id_51875431	465.563	LWHYNQNKRXRNLI-OLZOCXBDSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147114
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C1CCCN(C1)C(=O)OC(C)(C)C)C)C(=O)N	PC-id_43034090	465.563	LWHYNQNKRXRNLI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147115
c1(c2CCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1ccc(cc1OC)OC	MCULE-4024900406,EMOLS-id_2183972,ZINC22_16192706,CoCoCo_865075,PC-id_1327946	465.565	FISGTBMEATUBKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147116
c1(c2CCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_16193360,CoCoCo_869722,PC-id_1329052,MCULE-5667703787,EMOLS-id_2187230	465.565	BGACFMAMIGGARJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147117
c1(NC(=O)c2cc(on2)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	TIMTEC178324,MCULE-8948048692,EMOLS-id_10101496,PC-id_17011652	465.565	GSSAWGQIDDSFLW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147118
Cc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)no2)cc1C	CoCoCo_6310948,ZINC22_27582383,PC-id_34952267	465.565	GSSAWGQIDDSFLW-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147119
Cc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)no2)cc1C	PC-id_34952276,ZINC22_27582390,CoCoCo_6310949	465.565	GSSAWGQIDDSFLW-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147120
CCCOc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324851449	465.565	ZCKYAXVXTWIOHJ-XLNRJJMWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147121
CCCOc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1OCC	EMOLS-id_324870667	465.565	XXDYUTWZDFFLGA-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-147122
CCCOc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1OCC	EMOLS-id_324876813	465.565	XBEKRCLUAZNRJI-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147123
CCCOc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1OCC	EMOLS-id_324882944	465.565	KMYCQVNYJXYGJE-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147124
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)cc1OCC	EMOLS-id_324889090	465.565	FENSNCHIJYSOFY-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147125
CCCOc1ccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)cc1OCC	EMOLS-id_324890123	465.565	ISKRSRBKEXCNPV-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147126
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)CCCOc1ccccc1	MCULE-8571154785	465.565	ZCKYAXVXTWIOHJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147127
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1ccc(cc1)CC	MCULE-1140272963	465.565	FENSNCHIJYSOFY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147128
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1cc(C)ccc1C	MCULE-4479994952	465.565	KMYCQVNYJXYGJE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147129
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1cccc(C)c1C	MCULE-5352430027	465.565	XBEKRCLUAZNRJI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147130
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1c(C)cccc1C	MCULE-7647733570	465.565	XXDYUTWZDFFLGA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147131
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1cccc(CC)c1	MCULE-4933538549	465.565	ISKRSRBKEXCNPV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147132
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C(=O)Nc1c(cccc1)C#N	PC-id_45663359	465.565	DHJRKXAPINDWFB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147133
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1c(cccc1)C#N	PC-id_51481564	465.565	DHJRKXAPINDWFB-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147134
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1c(cccc1)C#N	PC-id_51481565	465.565	DHJRKXAPINDWFB-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147135
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccccc1)C(=O)NCC1OCCC1	PC-id_75783464	465.565	QEESNMNAQIMAMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147136
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccccc1)C(=O)NC[C@H]1OCCC1	PC-id_52087758	465.565	QEESNMNAQIMAMD-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147137
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccccc1)C(=O)NC[C@@H]1OCCC1	PC-id_52087759	465.565	QEESNMNAQIMAMD-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147138
s1c2CCCc2c(c1NC(=O)COC(=O)C1CN(C(=O)C1)c1ccc(CCCC)cc1)C#N	PC-id_3404464	465.565	DQJIFDGDCCOIIS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-147139
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCCc1cc(OC)c(OC)cc1	PC-id_16947546	465.565	SHNGYRJVOIHEOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147140
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(cc(cc1C)C)C	PC-id_16948080	465.565	AKLYEZRHPJRULJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147141
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(C(C)C)cc1	PC-id_16948035	465.565	SJBWAOMOJVEUEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147142
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCCc1ccccc1	PC-id_16948023	465.565	AXXJPZFAMZGOPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147143
c1(NC(=O)CS(=O)CC(=O)NS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_320679785,MCULE-9069255044	465.566	JSAOPEVLWCNZJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147144
c1(NC(=O)COc2cccnc2NC(=O)NCCC2=CCCCC2)sc2c(CCC2)c1C#N	MCULE-4293643104,EMOLS-id_321872251	465.568	YWZCHHGNIWZSEU-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-147145
CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4277929,PC-id_68983739	465.568	ODXSPVPLMHLMEW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147146
CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_68983736,SCHEMBL4277921	465.568	KBXWJNKOZWOMDN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147147
O=C(C(c1ccc(cc1)N1CCCC1)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_68441734,SCHEMBL2921839	465.568	CVNZGKMLINKIEJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147148
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1	ZINC22_1875328533	465.568	XBVLJDXRZUTDKT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147149
s1c(c(OCC(=O)N2CCCCC2)cc1c1ccccc1)C(=O)NCc1n2CCCc2nn1	PC-id_52687995	465.568	ALVCLVXLTALXNH-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-147150
c1(NC(=O)CS(=O)CC(=O)Nc2nnc(C3CCCO3)s2)sc2c(CCC2)c1C#N	MCULE-3118118441,EMOLS-id_320643573	465.57	JCRMTXYBOIKPLG-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-147151
CN(c1cc2=NC(=C(c3c(cc(cc3)C(=CN)C=N)N)N)C=c2s1)C(=O)CN1CCOCC1	PC-id_90077385	465.571	YBXICBQORRYMRC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147152
s1cc(nc1C)CC(=O)N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1	PC-id_71718344	465.571	QMMOCHBTZKNJIO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147153
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)OC	PC-id_24616656	465.586	AWIUVYNJGDZLRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147154
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CC)sc2CCCc2c1C#N	MCULE-2770113013,EMOLS-id_331791539	465.588	PKSYKEHRUYISKM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147155
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1	EMOLS-id_3015156,PC-id_5179891,ZINC22_3258339,MCULE-2623953583,CoCoCo_3706240	465.588	STELVUFMRVZGHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147156
s1c2c(CCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)NCc1ccccc1)C(=O)OC	PC-id_20408492	465.588	MJAXTTPUTPVYRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147157
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C#N	PC-id_24521235	465.591	RLSFAVLYPQNMBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147158
c1(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2351064954,EMOLS-id_334388508	465.606	HRBWFKNPJILSIB-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147159
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)NCCCOCC)C(=O)OCC	PC-id_55663287	465.606	KEAWNVASFYJCDI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147160
CC(C)(C)c1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324833009	465.609	UHFSFWZTWGAXMS-BWAHOGKJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147161
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-1133996296	465.609	UHFSFWZTWGAXMS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147162
S(=O)(=O)(N1CCCC1)c1ccc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_19680489	465.609	TYEUWAFQFQERHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147163
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCC2)c1C(=O)OC)c1ccccc1	PC-id_20180794	465.609	MFHMANXRLRSSMR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147164
CCC(Cc1ccc(cc1)NC(=O)C1CCc2c1nc(s2)N)NC(C(c1ccccc1)O)N	PC-id_88958614	465.611	ZRSHAXUNZHZFQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147165
CC[C@@H](Cc1ccc(cc1)NC(=O)C1CCc2c1nc(s2)N)N[C@@H]([C@@H](c1ccccc1)O)N	SCHEMBL12799593	465.611	ZRSHAXUNZHZFQR-KWRUJKLMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147166
CC/C=CC1=C(c2cncn2[C@H]1CCC1(CCN(CC1)C(=O)C/C=NN1CCCOC1=C)C)C	SCHEMBL20617551,PC-id_137387053	465.631	APQYSLLKHUTZPR-KRWNHVMZSA-N	00000011100010000001000010000000000000000000000000000000	25-01-147167
CC(C)(C)c1cc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc(c1O)C(C)(C)C	STOCK4S-53717,EMOLS-id_206981102,ZINC22_13769847	465.631	USRPNMOPCCZHRL-YOTIAXBGSA-N	00000000100100110001000010000000000000000000000000000000	25-01-147168
n12nc(nc1sc(=Cc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)c2=O)C=Cc1cccs1	MCULE-3760123472	465.631	USRPNMOPCCZHRL-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-147169
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C#N	PC-id_24518575	465.634	YFVXHFVTEWLHJJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147170
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1C1CC1	PC-id_140883031	465.663	YPVBXHJEKFXUOW-UHFFFAOYSA-N	00101010100000110001100010000000000000000000000000000000	25-01-147171
[Si](OCc1c2C(C(C)(C)C)C(OC3OCCCC3)Cc2oc1CCCCC(=O)OC)(C)C	PC-id_77976026	465.675	GTBQNOLSYBQSCA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147172
[Si](OCc1c2[C@H](C(C)(C)C)[C@H](OC3OCCCC3)Cc2oc1CCCCC(=O)OC)(C)C	PC-id_70488512	465.675	GTBQNOLSYBQSCA-YQNXBIPGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147173
S(=O)(=O)(c1cnc(c(Br)c1)Cl)Nc1sc2c(CCC2)c1C(=O)OCC	MCULE-3382258036,PC-id_4730002	465.77	UFWKARRIAOVMKT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147174
Clc1ccc(nc1)NC(=O)Cn1c(nc2c1CSC2C(=O)N1CCOCCC1)C(=O)O	SCHEMBL3370030,PC-id_68616238	465.911	NLQPLAMENMRMDB-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-147175
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)c([N+](=O)[O-])cc1	PC-id_44053163	465.911	QRYHAOSMUZQXRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147176
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc([N+](=O)[O-])cc1	PC-id_44053164	465.911	NPNCHYYNFRNFQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147177
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc1	PC-id_44053165	465.911	HMHLWWSWNRGGGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147178
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	EMOLS-id_27640767,ZINC22_32593696,PC-id_39835095,MCULE-1288326038,TIMTEC581247,CoCoCo_6645134	465.927	YUDBUEQDTUNLSH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147179
Clc1nc2sccn2c1/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_45612639	465.93	PYZMJCKPMAPDJB-AATRIKPKSA-N	00000010100000000001000110000000000000000000000000000000	25-01-147180
Clc1nc2sccn2c1C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_75121373	465.93	PYZMJCKPMAPDJB-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-147181
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(c(C)c1)Cl)C(=O)OC	PC-id_19191255,MCULE-8008245431	465.947	PWQCMUYZMQOOMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147182
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(C)Oc1cc(C)c(c(C)c1)Cl)C(=O)OC	MCULE-5290899982,PC-id_19191641	465.947	DBBORAXQYBFHCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147183
c1(NC(=O)COc2ccc(cc2)C(=O)Nc2ccc(cc2C)Cl)sc2c(CCC2)c1C#N	ZINC22_950227,PC-id_1188058,EMOLS-id_5642882,MCULE-3346780838	465.952	IIGXYXCCXPOTRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147184
c1(NC(=O)COc2cccc(c2)NC(=O)Cc2ccc(Cl)cc2)sc2c(CCC2)c1C#N	EMOLS-id_323172172,MCULE-4239737749	465.952	ZPFLNGOKCCOHRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147185
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)nc2)ccc(F)c1	PC-id_20179328	465.952	GNVZHDRVBCLXSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147186
Clc1c(c(NC(=O)c2ccc(OCC(=O)Nc3sc4CCCc4c3C#N)cc2)ccc1)C	PC-id_1662706	465.952	YEVMAQYQTMLSEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147187
Cc1nnc(o1)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1ccc(cc1)Cl	PC-id_134170747,SCHEMBL19771914	465.955	IQHGRECBJKXUMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147188
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1F	PC-id_22195413	465.969	DZHVNYDPCUNXHX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147189
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(F)c1	PC-id_22194462	465.969	LOAJLFSXCWHOJG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147190
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(OC)c(Cl)c2)sc2c(CCC2)c1C#N	MCULE-5288427467,EMOLS-id_320709470	465.973	YINFPEDKDFCHJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147191
c1(NC(=O)CS(=O)C(C)C(=O)Nc2c(OC)ccc(Cl)c2)sc2c(CCC2)c1C#N	EMOLS-id_320708184,MCULE-1245703993	465.973	HWRFHZATOYVLLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147192
c1(NC(=O)CS(=O)CC(=O)Nc2cc(C)c(cc2OC)Cl)sc2c(CCC2)c1C#N	MCULE-1435347894,EMOLS-id_320723806	465.973	HJBPJERIIZOMGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147193
Clc1cc(NC(=O)C[NH+](C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(OC)cc1	PC-id_74494858	465.974	IEMXTJHZQYVQJS-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-147194
Clc1cc(NC(=O)C[NH+]([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(OC)cc1	PC-id_26300265	465.974	IEMXTJHZQYVQJS-NSHDSACASA-O	00000010100000110000000010000000000000000000000000000000	25-01-147195
Clc1cc(NC(=O)C[NH+]([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(OC)cc1	PC-id_26300267	465.974	IEMXTJHZQYVQJS-LLVKDONJSA-O	00000010100000110000000010000000000000000000000000000000	25-01-147196
Fc1cccc(Cl)c1C(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)N1CCCC1	EMOLS-id_328218736,MCULE-9381618172	465.99	AZBSRENZDVLWEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147197
Clc1ccc(S(=O)(=O)N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_41100842	465.997	YWRYNKYQVXQQSP-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-147198
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2sc(SCC)nn2)cc1	PC-id_16947459	466	KFUPRWYKJOBLKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147199
OC[C@@H](COc1ccc(cc1Cl)CNC(=O)c1sc(c2c1C[C@H]([C@H]2C)CC(C)C)C)O	PC-id_143171829	466.033	HUDSLKDPAFKIPA-OLMNPRSZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147200
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC(=C3)Cl)F	PC-id_155278784	466.049	RKPVELFXBQCTIZ-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-147201
CC1=C(SC(=N1)OC)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4F	PC-id_164872027	466.078	YZGZFAGUYDTRIC-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147202
C1C2=CN(N=C2CN1C(=O)C3(COC3)C4=C(C=CC=N4)Cl)SC5=CN(N=C5)CC(F)F	PC-id_164872218	466.079	CMIYKFOXZWATHS-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-147203
C1C2=CN(N=C2CN1C(=O)C3(COC3)C4=C(C=CC=N4)Cl)SC5=NN(C=C5)CC(F)F	PC-id_164872317	466.079	URBKQNKFCKZPEW-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-147204
CCOC1=C(C=CC(=C1)[C@H](CS(=O)(=O)C)N2C(=O)C3=CSC(=C3C2=O)NC(=O)C)OC	PC-id_160290215	466.087	PRSNGWLHNWGOKD-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147205
CC1=C(N2CCCC2=C1NS(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278672	466.11	GBDLFSVORNFFLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147206
CC1=C(N2CCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC=C3)C(F)F	PC-id_155278692	466.11	PASCXYNOKMDIEU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147207
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCCC)cc1	PC-id_17349973	466.389	DGAMUYAHEFBBMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147247
C[C@](CO)(C1=CC=CC=N1)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164872312	466.123	JMPFZCZYJIFZDN-IBGZPJMESA-N	00000010100000101001000010000000000000000000000000000000	25-01-147208
CC(CO)(C1=CC=CC=N1)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931892	466.123	JMPFZCZYJIFZDN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-147209
C[C@@](CO)(C1=CC=CC=N1)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931909	466.123	JMPFZCZYJIFZDN-LJQANCHMSA-N	00000010100000101001000010000000000000000000000000000000	25-01-147210
CC1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)C4=NOC(=C4)COC5=CC=C(C=C5)F	PC-id_155168102	466.129	NXOAIRAWXSKKNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147211
CC1C(CN2C1=CC=C2C(=O)NC3=CC(=C(C(=C3)F)F)F)NC4(CC(C4)(F)F)C5=NNN=C5	PC-id_151179127	466.154	NDXMCEGILFPDBM-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-147212
CC1=C(C2=C(S1)CCC2)NC(=O)NS(=O)(=O)N(C3=CN(N=C3)C)[C@]4(CCCN(C4)C)C	PC-id_163692633	466.182	JUGCPMMAYAJYQR-FQEVSTJZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147213
CC1(CCC(CC1)CC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)O)Cl	PC-id_149286322	466.187	XTYRCBITEDCKBK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147214
CN(CC1=CC(=CC=C1)C2=CC=CC=C2NC3=CC=CC=C3C(=O)O)C(=O)C4=NNC5=C4CCC5	PC-id_154455864	466.2	FTSJTKAGMKATDA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147215
C[C@H]1CN([C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(c1ccccn1)O)C)Cc1cocn1	PC-id_163775132	466.244	MJTTZPYDLNPHPA-CLLZWFJHSA-N	00000010100010101001000010000000000000000000000000000000	25-01-147216
CC1(C2=C(CN1)C(=NN2[C@H](CC3(CC3)O)C4=CC=CC=C4)NC(=O)C5(CCC5)[Si](C)(C)C)C	PC-id_153699601	466.276	CCUTXIJMBCMEIJ-HXUWFJFHSA-N	00101010100000110001000010000000000000000000000000000000	25-01-147217
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)C=Cc1cc(c(cc1)Cl)Cl	SCHEMBL5544252,PC-id_87852514	466.318	JHQUIUSZYWPYDG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147218
Clc1cc(C(=O)C=CN2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)ccc1Cl	PC-id_69481739,SCHEMBL5544246	466.318	YKHWEAQKTQWHSU-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147219
Clc1cc(C(=O)C=CN2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)ccc1Cl	PC-id_77659736	466.318	YKHWEAQKTQWHSU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147220
c1(NC(=O)c2ccc(COc3ccc(cc3Cl)Cl)o2)sc2c(CCC2)c1C(=O)OC	PC-id_1013666,EMOLS-id_8246412,SPECS-id_AK-968/15359720,MCULE-2551466879,ZINC22_674780,TIMTEC535927,CoCoCo_1859441	466.334	WVQXRQYPUJVTRM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147221
Ic1c(OCC)c(OCC)cc(C=Nc2sc3CCCc3c2C#N)c1	PC-id_50883573	466.336	SNTRSZVMEWBBDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147222
Clc1ccc(cc1Cl)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	EMOLS-id_46370273,ZINC22_27022489	466.339	LBUZDLKNFUSBHE-KRWXNTFSSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147223
Clc1cccc(c2ccc(/C=c/3sc4nc(/C=C/c5ccccc5)nn4c3=O)o2)c1Cl	ZINC22_27022431,EMOLS-id_45970424	466.339	LNAPKYUZCXSLBN-VIVFWABWSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147224
Clc1ccc(Cl)c(c1)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	EMOLS-id_45975614,ZINC22_26842386	466.339	PHWBQEUUWXBEOZ-KRWXNTFSSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147225
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccccc1	MCULE-2904131280	466.339	OYDXCOJXMBMJRU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147226
n12nc(nc1sc(=Cc1ccc(c3cc(ccc3Cl)Cl)o1)c2=O)C=Cc1ccccc1	MCULE-7525048498	466.339	PHWBQEUUWXBEOZ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147227
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3Cl)o1)c2=O)C=Cc1ccccc1	MCULE-4828605322	466.339	LNAPKYUZCXSLBN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147228
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccccc1	MCULE-5290932745	466.339	LBUZDLKNFUSBHE-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147229
Clc1cc(S(=O)(=O)Nc2cc(C(=O)NCc3n4CCCc4nn3)ccc2)ccc1Cl	PC-id_37334418	466.341	SUTLANRSWYMXGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147230
Clc1c(S(=O)(=O)Nc2ccc(C(=O)NCc3n4CCCc4nn3)cc2)cc(Cl)cc1	PC-id_37337411	466.341	DWNZRCANCFXOOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147231
Clc1c(S(=O)(=O)Nc2cc(C(=O)NCc3n4CCCc4nn3)ccc2)cc(Cl)cc1	PC-id_37334423	466.341	XAWFJUGMQYBMEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147232
O=C(NCc1nnc2n1CCC2)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC22_8778953,PC-id_17413118,MCULE-5499027372,EMOLS-id_11969448,CoCoCo_4474380	466.341	KDGTUFMLFRHWFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147233
Brc1cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(OC)c1OC	PC-id_1701835	466.345	VKLAXHCGOZUYBP-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147234
Brc1ccc(CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_5200563	466.345	DQBQMPFPTRGQIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147235
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OC)sc2c(CCC2)c1C(=O)OC	PC-id_3464624,MCULE-8188285176	466.345	VKLAXHCGOZUYBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147236
c1(NC(=O)NN=Cc2ccc(c(Br)c2)OC)sc2c(CCC2)c1C(=O)OCC	PC-id_19169877,MCULE-2781551690	466.349	ASCDJBXCKWHVHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147237
Brc1sc2C(NC(=O)CN3CCN(CC3)Cc3c(F)cccc3)CC(=O)c2c1	PC-id_11590821	466.367	BBYUSJNSEYJGGL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147238
Brc1scc2c1C(NC(=O)CN1CCN(CC1)Cc1c(F)cccc1)CC2=O	PC-id_11568931	466.367	XYCWUFRHTUFNTD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147239
Brc1ccccc1NC(=O)CS(=O)CC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_320635361,MCULE-1269095350	466.372	ORROVWGKPMIGDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147240
Brc1ccc(NC(=O)CS(=O)CC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_320698180,MCULE-3950767323	466.372	ITOSCTCGJBNBFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147241
Brc1cc(C(CC)C)ccc1OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_17189492	466.389	SWTDEFLMAZODDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147242
Brc1cc(C(C)(C)C)ccc1OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_17350106	466.389	FGNLQYLQLCGSHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147243
Brc1cc(c(OC(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)c(c1)C)C	PC-id_4960988	466.389	VCBIIOODMPUKAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147244
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OCCCC	PC-id_4955750	466.389	BGARNLVDWPKWCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147245
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCC(C)C)cc1	PC-id_17350727	466.389	FOLSLBQCJKXQTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147248
Brc1c(OCCC(C)C)ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_17339361	466.389	BYHKEQPRPDXJEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147249
Brc1c(OCC(C)C)ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_17351597	466.389	MWHBGHBKOYFPAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147250
c1(NC(=O)CCCOc2ccc(cc2Br)CC)sc2c(CCC2)c1C(=O)OC	PC-id_1701838,MCULE-1849808170	466.389	YAFWQQRKTWYANG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147251
c1(NC(=O)CCCOc2ccc(cc2Br)C)sc2c(CCC2)c1C(=O)OCC	PC-id_19202113,MCULE-4264673148	466.389	UVZBVGHFXDEEIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147252
c1(NC(=O)COc2ccc(cc2Br)C(C)C)sc2c(CCC2)c1C(=O)OCC	PC-id_1701637,MCULE-6984943953	466.389	LCAHAZTUQDTIRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147253
c1(NC(=O)COc2ccc(cc2Br)CCC)sc2c(CCC2)c1C(=O)OCC	PC-id_1701639,MCULE-6019964089	466.389	QFKCAQPDXLTKJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147254
c1(NC(=O)COc2ccc(cc2C(C)C)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-5717162798,PC-id_1701635	466.389	QBEUGMIVEJYCNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147255
c1(NC(=O)COc2ccc(cc2C(C)(C)C)Br)sc2c(CCC2)c1C(=O)OC	PC-id_1661206,MCULE-9280707279	466.389	NKPJPWXGAMRFJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147256
c1(NC(=O)COc2cc(C)c(cc2C(C)C)Br)sc2c(CCC2)c1C(=O)OC	MCULE-9939011996,PC-id_1701843	466.389	GUSNSBYKESFKCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147257
c1(c2CCCc2sc1NC(=O)CNC(C)(C)CO)C(=O)Nc1ccc(cc1)Br	ZINC22_15946533,CoCoCo_6728296,MCULE-7106548012,PC-id_3703306,EMOLS-id_2784800,TIMTEC344517	466.392	NVZXBLLARWOUER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147258
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1)Nc1sc2c(CCC2)c1C(=O)OC	EMOLS-id_4434540,ZINC22_2209225,PC-id_1842536,MCULE-1769228741,STOCK2S-31878	466.397	VTNWPASIDJOEIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147259
Fc1ccc(cc1)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117993861,SCHEMBL16618231	466.419	NXOAIRAWXSKKNB-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147260
Fc1ccccc1OCc1onc(c1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16618212,PC-id_117993843	466.419	ZTASDGIQAMSPRQ-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147261
Fc1ccc(cc1)OCc1nnn(c1)c1ccccc1OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117999651,SCHEMBL16624972	466.422	PHGCCHVXIALABN-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147262
Fc1ccccc1OCc1nnn(c1)c1ccccc1OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL16624885,PC-id_117999571	466.422	PPPZWJYVDMQPGS-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147263
Fc1ccc(cc1)OCc1nnn(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL16625038,PC-id_117999707	466.422	OSJNZBHCAZVMLS-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147264
Fc1ccc(cc1)OCc1nnn(c1)c1cccc(c1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL16625079,PC-id_117999745	466.422	XVSMXVMAHGGWKV-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147265
Fc1ccccc1OCc1nnn(c1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16624877,PC-id_117999563	466.422	CAHDEQOJIIBNMV-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147266
Fc1ccccc1OCc1nnn(c1)c1cccc(c1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL18031086,PC-id_122501181	466.422	LNBMNAQAGRGBIN-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147267
c1(C(F)F)c2CCCc2n(CC(=O)N(CC)c2sc(C(=O)OCC)c(C(F)(F)F)n2)n1	EMOLS-id_8867956,MCULE-8389672008,ZINC22_36614176,PC-id_19591207,TIMTEC455895	466.425	SQGXTMKXANXNDN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147268
c1(NC(=O)CSc2scc(c3ccc(cc3Cl)Cl)n2)sc2c(CCC2)c1C#N	MCULE-4696355241,EMOLS-id_324867108	466.427	SXVMSCNNLOAYRN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147269
c1(NC(=O)CSc2scc(c3ccc(c(Cl)c3)Cl)n2)sc2c(CCC2)c1C#N	MCULE-6071689185,EMOLS-id_324904225	466.427	SECMNUTYVYFEAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147270
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC(F)F)cc1)C(=O)N	PC-id_4681352	466.455	HRKMQDAAZTVLON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147271
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC(F)F)cc1)C(=O)N	PC-id_6184555	466.455	HRKMQDAAZTVLON-SOFGYWHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147272
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1c(F)cc(F)cc1)C(=O)OCC	PC-id_30313340	466.455	GKWZOSBZQOMCKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147273
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCN(CC1)C	PC-id_57703901,SCHEMBL4285149	466.457	KIHPSWJBXYECEJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147274
CCOC(=O)n1nc(c2c1CNC2)NC(=O)c1ccc(cc1C(F)(F)F)N1CCN(CC1)C	SCHEMBL4285119,PC-id_57703908	466.457	CALCCQCMJIBBTP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147275
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(c2)NC(=O)C)sc2CCCc2c1C#N	EMOLS-id_333677813,MCULE-4587425283	466.47	IRMRVUHMNDTSID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147276
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)NC(=O)C)sc2CCCc2c1C#N	MCULE-2520588438,EMOLS-id_333679092	466.47	QGJFQNMGMSIONE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147277
Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	PC-id_35524613,ZINC22_28227149,CoCoCo_6453419	466.477	PQVWLZKHYFIVEQ-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-147278
Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2	ZINC22_28227152,PC-id_35524615,CoCoCo_6453420	466.477	PQVWLZKHYFIVEQ-GFCCVEGCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-147279
CC(C(=O)Nc1sc2CCCc2c1C(=O)NCc1ccco1)n1nc(cc1C)C(F)(F)F	EMOLS-id_15294030,MCULE-3613039480,PC-id_45153881	466.477	PQVWLZKHYFIVEQ-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-147280
CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC22_28896626,MCULE-7710673769,PC-id_36055011,CoCoCo_4467418,CoCoCo_4467417,EMOLS-id_24967939	466.477	DBIQQJFPEZCAJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147281
CCCCC1=C(CCNC1)/C(=C(/Br)C)/CNC(=O)Nc1sc2c(c1C)CCC2	PC-id_138564920,SCHEMBL20922501	466.478	SFOFAYGZSXRXFE-XDJHFCHBSA-N	00000010100011000000000010000000000000000000000000000000	25-01-147282
c1(NC(=O)COc2cccnc2NC(=O)Oc2c(C)ccc(F)c2)sc2c(CCC2)c1C#N	EMOLS-id_321771262,MCULE-4474313548	466.485	IKKZEURGGYADFS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147283
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(F)cc2C)sc2c(CCC2)c1C#N	MCULE-1185536346,EMOLS-id_321772797	466.485	DTBHLOLDHMWOJJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147284
CC[N+]1(c2c(C(=N1)NC(=O)c1cc(ccc1)Oc1ccccc1)sc(c2)C(=O)OC)C(=O)O	PC-id_90712748	466.486	MFIRGXPGGRPHBI-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-147285
O=C(N1Cc2n(nc(NC(=O)c3ccc(OC)cc3)c2C1)C(=O)c1ccccc1)c1ccccc1	PC-id_71456684	466.488	DTEVLXRYULACBW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147286
CCC(=O)CCC1=Nc2nnc(CCCCc3nnc4n3C(=O)C(=N4)CCC(=O)CC)n2C1=O	CHEMBL176639,ZINC22_5722735,CoCoCo_5696067,PC-id_367013,NSC636340	466.493	NFJMPIGOBXSFJF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-147287
CCC(=O)C/C=c/1[nH]c2nnc(n2c1=O)CCCCc1nnc2n1c(=O)/c(=C/CC(=O)CC)/[nH]2	BindingDB_PC-id_91929509,PC-id_136035739	466.493	KUHHMGGSQREXLC-NFLUSIDLSA-N	00000000100000000001000010000000000000000000000000000000	25-01-147288
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2cc3c(s2)CCC3)cs1	PC-id_16505577,EMOLS-id_43696698,CoCoCo_2840719,ZINC22_9069380,MCULE-6363114377	466.496	MHCUCIXOWGGUDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147289
O=C(C(=O)c1c(C)c(c2n1CCC2)C(=O)OC(C)(C)C)NC1(CC(C1)(F)F)c1nncs1	PC-id_139434850,SCHEMBL21296684	466.501	ROIJJWJNJANMSX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-147290
COc1c(ccc(c1)C(CC(=O)OC)N1C(=O)c2csc(c2C1=O)N)OCc1ccccc1	PC-id_89617347,SCHEMBL15015466	466.506	XSGVFUDPNJDAQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147291
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncccc1F)C	SCHEMBL1205796,PC-id_66941605	466.508	WXZOQPQOVGSAHH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147292
CN(CC(c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	SCHEMBL1205975,PC-id_66941665	466.508	YZRUNAWWMSHWJI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147293
CN(CC(c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)C	SCHEMBL1206153,PC-id_66941737	466.508	RLLKXFBFJFXKII-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147294
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cn1)F)C	SCHEMBL12879386,PC-id_58015710	466.508	DVGOPFMLEMZLOP-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147295
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncccc1F)C	PC-id_66941603,SCHEMBL1205794	466.508	WXZOQPQOVGSAHH-GOSISDBHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147296
CN(C[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)C	PC-id_58015676,SCHEMBL1206150	466.508	RLLKXFBFJFXKII-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147297
CN(C[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	SCHEMBL1205971,PC-id_24765605	466.508	YZRUNAWWMSHWJI-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147298
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1nn(c(cc1=O)C)c1ccccc1)C)C(=O)N	PC-id_52515702	466.51	GPYDDYWHULEIPZ-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147299
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1nn(c(cc1=O)C)c1ccccc1)C)C(=O)N	PC-id_52515703	466.51	GPYDDYWHULEIPZ-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147300
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C#N)C)C(=O)OCC	PC-id_45606435	466.51	CAKOVPMKWXAIRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147301
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(cc1)C#N)C)C(=O)OCC	PC-id_51911633	466.51	CAKOVPMKWXAIRY-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147302
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(cc1)C#N)C)C(=O)OCC	PC-id_51911634	466.51	CAKOVPMKWXAIRY-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147303
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(Nc2c(OC)cccc2)nccc1)C(=O)N	PC-id_26814923	466.51	OZGLSEQNKCPJEA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147304
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1nn(c(cc1=O)C)c1ccccc1)C)C(=O)N	PC-id_75861481	466.51	GPYDDYWHULEIPZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147305
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=O)c1c(n(nc1C)c1ccccc1)C)C(=O)N	PC-id_27191478	466.51	CEYZPQIXOLXATD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147306
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(cccc1)C(=O)N	PC-id_16948118	466.51	BXPKESDAWWAFEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147307
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_16948119	466.51	BJGXGKLGUBWTSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147308
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)N(C)C)sc2CCCc2c1C#N	EMOLS-id_333649554,MCULE-5832444043	466.513	PCVHPWFTPADCJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147309
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(N(C)C)c2)sc2CCCc2c1C#N	EMOLS-id_333649041,MCULE-5475885716	466.513	PAFOYAFXQXHSLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147310
c1(NC(=O)COc2nonc2C(=O)N(CC)CCc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_333663946,MCULE-8006557761	466.513	QOSDXDQGWXCZSM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-147311
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1cc(ccc1)C(F)(F)F)C)C(=O)N	PC-id_33738769	466.52	YJFJAOUBRIMHRW-CYBMUJFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147312
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1cc(ccc1)C(F)(F)F)C)C(=O)N	PC-id_33738779	466.52	YJFJAOUBRIMHRW-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147313
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)c1cc(ccc1)C(F)(F)F)C)C(=O)N	PC-id_60338335	466.52	YJFJAOUBRIMHRW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147314
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C(F)(F)F)C(=O)N	PC-id_31051427	466.52	WFJWUBJCKDZCBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147315
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(ccc1)C(F)(F)F)C(=O)N	PC-id_46809865	466.52	SYXSPOJTGQFTQV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147316
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NCC(F)(F)F)nn1)C(=O)OCC	PC-id_56209940	466.521	LISLBLZPNZUCDL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147317
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CC)sc2CCCc2c1C#N	EMOLS-id_332715587,MCULE-1383366247	466.528	AWPUYMUWAMOPAN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147318
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332717635,MCULE-3629122542	466.528	IJVNDBLOMCNLSA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147319
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)cc1	EMOLS-id_324835071	466.528	DLPAKABZYJRCLQ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147320
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C)OC	PC-id_137355584,SCHEMBL20580068	466.528	PRSNGWLHNWGOKD-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147321
CCOc1cc(ccc1OC)[C@@H](N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CCS(=O)O	PC-id_139401357	466.528	ZZZVNZQMJPDLPX-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147322
CCOc1cc(ccc1OC)[C@@H](N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CCS(=O)=O	SCHEMBL21258022	466.528	NJHSWAVPSRKWHL-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147323
CCOc1ccc(cc1OC)C(N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CS(=O)(=O)C	SCHEMBL751994,PC-id_66788999	466.528	CJZLCJNDGIVFHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147324
CCOc1cc(C(CS(=O)(=O)C)N2C(=O)c3csc(NC(=O)C)c3C2=O)ccc1OC	PC-id_66789211,SCHEMBL752736,CHEMBL4778157	466.528	PRSNGWLHNWGOKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147325
CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)NC)c2)sc2c1CCC2	MCULE-2356208757,ZINC22_3488364,EMOLS-id_34110261,PC-id_2605687	466.528	TVFHTXXYKWELDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147326
COCCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc(C(=O)N)c1C	MCULE-2700152368,PC-id_3656251,CoCoCo_2840870,ZINC22_9069928,EMOLS-id_24978543	466.528	YAETVSAIQLDXCA-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-147327
COC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCC2	CoCoCo_2997676,ZINC22_3301096,PC-id_2416743,EMOLS-id_43750437,MCULE-9772360350	466.528	OBMQQCGURUHRKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147328
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)Cc1ccc(F)cc1	MCULE-4466752781	466.528	DLPAKABZYJRCLQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147329
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41324352	466.528	GOYVICUPPSTXDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147330
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N)c(cc1)C)C(=O)OCC	PC-id_25434150	466.528	GOYYHVKSHLRSLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147331
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1)C(=O)OC	PC-id_16521016	466.528	BFMRHRWUGIDMER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147332
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NCC)ccc1)C(=O)OC	PC-id_41572250	466.528	XKYSHHWRIOAYBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147333
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NS(=O)(=O)C)cccc1)C(=O)OCC	PC-id_16519118	466.528	OQMHPIGGIQIFJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147334
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_44009380	466.528	LLTRGJNFMBEWIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147335
S(=O)(=O)(CC(N1C(=O)c2c(C1=O)csc2CC(=O)N)c1cc(OCC)c(OC)cc1)C	PC-id_49821308	466.528	ZHZGNAOADBRVLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147336
CC1CCc2c1c(n[nH]2)C(=O)NCc1cccc(c1)c1ccc(cc1)Nc1ccccc1C(=O)O	PC-id_91601722	466.531	KLWHNGHOJJAWEE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147337
CN(C(=O)c1n[nH]c2c1CCC2)Cc1cccc(c1)c1ccc(cc1)Nc1ccccc1C(=O)O	SCHEMBL5355793,PC-id_21911051	466.531	VXDGEJKAKYFXPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147338
c1(C(=O)OCC)c2CCCc2sc1NC=C(C#N)c1scc(c2ccc(cc2)N(=O)=O)n1	MCULE-1506290517,PC-id_3866612	466.533	ZNQGDXIQLJYSPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147339
CCOC(=O)c1c(N/C=C(c2scc(n2)c2ccc(cc2)[N+](=O)[O-])/C#N)sc2c1CCC2	PC-id_2203661,CoCoCo_986880	466.533	ZNQGDXIQLJYSPD-KAMYIIQDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147340
CCOC(=O)c1c(N/C=C(C#N)/c2nc(cs2)c2ccc(cc2)[N+](=O)[O-])sc2CCCc12	EMOLS-id_25964102,CoCoCo_986879,PC-id_2203662	466.533	ZNQGDXIQLJYSPD-SDNWHVSQSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147341
N#Cc1cc(C)ccc1N1CCC(CC1)CNC(=O)[C@@H]([C@H](C(=O)N1Cc2c(C1)cnn2C)O)O	PC-id_143153821	466.533	FHUQZSPTQRNKHY-FGZHOGPDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147342
CC(=O)NCC(c1nc2n(n1)nc(/c/2=C/c1c(C)nn2c1n(C)c(n2)C(CNC(=O)C)C)C)C	SCHEMBL11974214,PC-id_68183657	466.539	XDWRINWGELWYKZ-IUXPMGMMSA-N	00000000100000000001000110000000000000000000000000000000	25-01-147343
O=C(NCC(c1n(c2n(n1)nc(c2C=c1c2n(nc(n2)C(CNC(=O)C)C)nc1C)C)C)C)C	PC-id_77419659	466.539	XDWRINWGELWYKZ-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-147344
FC(F)(F)c1nn(c2c1CCC2)C(C(=O)N1CCN(CC1)Cc1c(n(nc1C)CC)C)CC	PC-id_19590963	466.543	OFUHYFGIYYDLKE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147345
CC(Cn1nc2c(c1)CN(C2)C(=O)c1cc(ccc1N1CCC(CC1)(F)F)S(=O)(=O)C)C	SCHEMBL17214035,PC-id_118479188	466.545	WDRMHSQRRHDZFP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147346
Fc1ccc(c(c1)[C@H]1OCC(CC1N)CN1Cc2c(C1)cn(n2)S(=O)(=O)C1CCCC1)F	SCHEMBL18756778	466.545	IANHWKCDQZYMMY-RKAKBXOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147347
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(F)cc1	PC-id_16923840	466.546	VDDKBJAIWGSWCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147348
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_16861653	466.546	PGDPSVGXAJIDQT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147349
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_41826239	466.546	HVHBNKNURGKKBE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147350
c1(c2CCCc2sc1NC(=O)Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccc(cc1)OC	PC-id_2214695,MCULE-7622653050,EMOLS-id_2004830,ChEMBL-DNDi_CHEMBL7863214,ZINC22_2861405,CoCoCo_1008596	466.549	VZDFRTXEGSJGEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147351
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2830165035	466.549	KIANCZWCONNLAZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147352
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1OC	EMOLS-id_334338729	466.549	KIANCZWCONNLAZ-ZRDIBKRKSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147353
COC(=O)c1cc(COC(=O)c2c(NC(=O)C3CCCCC3)sc3c2CCC3)ccc1C#N	ZINC22_2325862282	466.549	OTUKBEZMPIOCHZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147354
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)Nc1nc2CCCc2s1	EMOLS-id_323356135,MCULE-6449935436	466.549	BAHKMAJMKQKANH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147355
s1c2c(CCC2)c(c1N=Cc1c(OC)ccc(OC)c1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_3396770	466.549	LREUBOCBMXRRPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147356
s1c2c(CCC2)c(c1/N=C/c1c(OC)ccc(OC)c1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_9667230	466.549	LREUBOCBMXRRPB-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-147357
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(c(c1)C)c1ccccc1)C)C(=O)OCC	PC-id_3957474	466.549	SIIJCHPYYPCLJE-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-147358
CCOC(=O)C1=CC(=O)n2c1csc2=NC(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_14394354,SCHEMBL10491503	466.551	HDDYCJXWWVUSAX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-147359
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCOC	PC-id_74854105	466.551	JYNUBASOUFOPSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147360
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CCOC	PC-id_74860999	466.551	ZBNFGCKMROTAEV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147361
c1(NC(=O)c2cc([nH]n2)c2ccc(cc2O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	STOCK5S-33776,EMOLS-id_30357079,MCULE-2457090256,TIMTEC415762,EMOLS-id_4671942	466.553	QXKOZBSRILLBIJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147362
c1(NC(=O)c2cc([nH]n2)c2cc(C)ccc2O)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_4671791,MCULE-4169027585,EMOLS-id_30348017,STOCK5S-33537,TIMTEC340720	466.553	NRTUCVQEUWTUCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147363
c1(NC(=O)c2[nH]nc(c3cccc(C)c3O)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6917810743,PC-id_135675442	466.553	KZEWNDBOFWAMDD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147364
Cc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)n[nH]2)c(O)c1	CoCoCo_6233656,ZINC22_8845582,CoCoCo_6233654	466.553	QXKOZBSRILLBIJ-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147365
Cc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)n[nH]2)c(O)c1	ZINC22_8845583,CoCoCo_6233655,CoCoCo_6233657	466.553	QXKOZBSRILLBIJ-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147366
Cc1ccc(O)c(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)n[nH]2)c1	CoCoCo_6211776,ZINC22_8845440,CoCoCo_6211778	466.553	NRTUCVQEUWTUCT-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147367
Cc1ccc(O)c(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)n[nH]2)c1	CoCoCo_6211777,CoCoCo_6211775,ZINC22_8845439	466.553	NRTUCVQEUWTUCT-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147368
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(C=CC2=O)C)/NN1)C(=O)NCC1OCCC1	PC-id_6094206	466.553	QTWZMYQGMDPNPG-MSUUIHNZSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147369
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C=C(C=CC2=O)C)NN1)C(=O)NCC1OCCC1	PC-id_6839457	466.553	QTWZMYQGMDPNPG-UHFFFAOYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147370
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C=C(C=CC2=O)C)NN1)C(=O)NC[C@H]1OCCC1	PC-id_40841407	466.553	QTWZMYQGMDPNPG-AWEZNQCLSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147371
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C=C(C=CC2=O)C)NN1)C(=O)NC[C@@H]1OCCC1	PC-id_6771333	466.553	QTWZMYQGMDPNPG-CQSZACIVSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147372
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=O)C(=CC=C2)C)/NN1)C(=O)NCC1OCCC1	PC-id_19119215	466.553	MOOBPSJXJMLMQY-BMRADRMJSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147373
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C=C(C=C2)C)/NN1)C(=O)NCC1OCCC1	PC-id_6094220	466.553	PZAXTWIXHGBCBG-ICFOKQHNSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147374
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=C(C=C2)C)NN1)C(=O)NCC1OCCC1	PC-id_6839470	466.553	PZAXTWIXHGBCBG-UHFFFAOYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147375
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=C(C=C2)C)NN1)C(=O)NC[C@H]1OCCC1	PC-id_40841493	466.553	PZAXTWIXHGBCBG-AWEZNQCLSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147376
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=C(C=C2)C)NN1)C(=O)NC[C@@H]1OCCC1	PC-id_6771346	466.553	PZAXTWIXHGBCBG-CQSZACIVSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147377
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)c1onc(n1)c1cccnc1	PC-id_75866175	466.553	ZQZQCRZYPRFNDG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-147378
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C)c1onc(n1)c1cccnc1	PC-id_52547639	466.553	ZQZQCRZYPRFNDG-AWEZNQCLSA-N	00000010100010101001100010000000000000000000000000000000	25-01-147379
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C)c1onc(n1)c1cccnc1	PC-id_52547640	466.553	ZQZQCRZYPRFNDG-CQSZACIVSA-N	00000010100010101001100010000000000000000000000000000000	25-01-147380
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(N(C)C)cc1	PC-id_16948051	466.553	GHTCEYJGKLDCOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147381
S1Cc2c(nn(c2NC(=O)c2ccc(OCC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053533	466.553	DQRPRBXNLXWCSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147382
S1Cc2c(nn(c2NC(=O)c2cc(OC)cc(OC)c2)CC(=O)NCCc2ccccc2)C1	PC-id_44053827	466.553	AMUWIVUQPVQZOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147383
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053826	466.553	AEGLZIHQTQZJOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147384
S1Cc2c(nn(c2NC(=O)c2c(OCC)cccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053532	466.553	XIJUAELHUBWABE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147385
S1Cc2c(nn(c2NC(=O)c2c(OC)cc(OC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053825	466.553	FOSQVNCLDDSZAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147386
S1Cc2c(nn(c2NC(=O)c2c(OC)c(OC)ccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053758	466.553	RBKNROMAEHHVBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147387
S1Cc2c(nn(c2NC(=O)Cc2ccc(OC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053577	466.553	YBJSSDZDVFAEFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147388
S1Cc2c(nn(c2NC(=O)Cc2cc(OC)c(OC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053438	466.553	DILHUWYZMYZBFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147389
S1Cc2c(nn(c2NC(=O)C(Oc2ccccc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053569	466.553	FPQVXRNJVQBMIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147390
S1Cc2c(nn(c2NC(=O)COc2c(cccc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053572	466.553	JSIRBIVRGNITEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147391
S1Cc2c(nn(c2NC(=O)COc2cc(ccc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053573	466.553	KXCMAHKMPMGHJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147392
S1Cc2c(nn(c2NC(=O)COc2ccc(cc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053574	466.553	PIQDCCQZLFMGHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147393
S1Cc2c(nn(c2NC(=O)COc2ccc(OC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053773	466.553	YFXHWDIFZOAJSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147394
S1Cc2c(nn(c2NC(=O)COc2ccc(OCC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053432	466.553	RNAYTURGBCOKJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147395
S1Cc2c(nn(c2NC(=O)COc2cc(OC)ccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053772	466.553	SJFRBDITIQNTJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147396
S1Cc2c(nn(c2NC(=O)COc2c(OC)cccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053771	466.553	YNMRXRMRSCKOGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147397
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)S(=O)(=O)N)sc2c(CCC2)c1C#N	MCULE-3436700517,EMOLS-id_320676205	466.554	MFXXGMAAQAMDOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147398
c1(NC(=O)CS(=O)CC(=O)Nc2sc(c(C)n2)C(=O)OC)sc2c(CCC2)c1C#N	MCULE-8344168441,EMOLS-id_320677741	466.554	RWPIVLLJGUEYLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147399
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331925531,MCULE-1601327414	466.556	UUVMVZGJPSUOTD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-147400
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL2915847,PC-id_24751467	466.556	BOBFTCDMVUAOMA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147401
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4279354,PC-id_68984207	466.556	DFLXDVVXSFZPED-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147402
O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1	ZINC22_1875328264,PC-id_146148778	466.556	IPTOLGZLIMJZMK-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-147403
S(=O)(=O)(c1c(n[n-]c1[N-]N=C1C(=Nn2nc(nc12)C)C(C)(C)C)C(C)(C)C)c1ccccc1	PC-id_59247741	466.559	ZWSRVIGUGWXQNC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-147404
c1(NC(=O)CN(c2ccc(cc2)OCC)S(=O)(=O)C)sc2c(CCC2)c1C(=O)OCC	PC-id_51042847,EMOLS-id_31276777,MCULE-9660279629,ZINC22_44859820	466.571	LNBMDGSYMUBITN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147405
CCOc1ccc(N([C@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)C)cc1	ZINC22_408624782	466.571	ULTYVJBGFBXOOE-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147406
CCOc1ccc(N([C@@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)C)cc1	ZINC22_408624783	466.571	ULTYVJBGFBXOOE-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147407
CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408625248	466.571	IPSFVUBLRXQVDU-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147408
CCOC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408625252	466.571	IPSFVUBLRXQVDU-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147409
CCOC(=O)c1c(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408610396	466.571	QNEILGZOXXIRGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147410
CCOC(=O)c1c(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616176	466.571	WVHSGQWSESOTOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147411
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(cc(N(CC)CC)cc1)C	PC-id_16947290	466.571	ZZNNIEAPYZQBDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147412
s1c2CC[C@H](c2nc1N)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2ccc(F)cc2)cc1	PC-id_76332895	466.571	DBVZZXXHSUGYMD-DZCCDHAISA-N	00000010100000110001000010000000000000000000000000000000	25-01-147413
s1c2CC[C@H](c2nc1N)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2cc(F)ccc2)cc1	PC-id_76332894	466.571	ATLWECXBGAOLBY-DZCCDHAISA-N	00000010100000110001000010000000000000000000000000000000	25-01-147414
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)c1ccc(C(C)(C)C)cc1	PC-id_44053673	466.571	VFBWSIAMNHAVRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147415
c1(NC(=O)C2=C(SCCO2)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	STOCK6S-61977,ZINC22_12391277,MCULE-1135795115,TIMTEC139907,PC-id_42571030,CoCoCo_6644650,EMOLS-id_17659114	466.572	FBSWCQZOIJZBHA-UHFFFAOYSA-N	00000010101011110001100010000000000000000000000000000000	25-01-147416
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)n(C(C)(C)C)nc2CS(=O)Cc12	MCULE-7791738481,EMOLS-id_5443045,PC-id_2160477	466.574	ZWBYNRFZIDHCFU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147417
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C[S@](=O)C2	ZINC22_6184165,PC-id_40592320,CoCoCo_4985609	466.574	ZWBYNRFZIDHCFU-PMERELPUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147418
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C[S@@](=O)C2	ZINC22_6184166,CoCoCo_4985610,PC-id_40592321	466.574	ZWBYNRFZIDHCFU-SSEXGKCCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147419
CCOC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cnn(C)c2)sc2CCCc12	MCULE-9155390503,TIMTEC157385,PC-id_17022308,EMOLS-id_4150292	466.574	FVFGNTOXLBNIPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147420
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)sc2c1CCC2	CoCoCo_6587717,ZINC22_2802258,PC-id_40444930	466.574	FVFGNTOXLBNIPA-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147421
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)sc2c1CCC2	ZINC22_2802257,PC-id_40444929,CoCoCo_6587718	466.574	FVFGNTOXLBNIPA-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147422
COC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cnn(C)c2C)sc2CCCc12	PC-id_19585568,TIMTEC387275,EMOLS-id_4150294,MCULE-8326553191	466.574	PRQKUDVASIQQMC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147423
COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)sc2c1CCC2	ZINC22_2732238,PC-id_51388635	466.574	PRQKUDVASIQQMC-CYBMUJFWSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147424
COC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)sc2c1CCC2	ZINC22_2732239,PC-id_51388636	466.574	PRQKUDVASIQQMC-ZDUSSCGKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147425
O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C	PC-id_4594674,CoCoCo_2666510	466.574	UPVADQLXFYZRKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147426
S1(=O)(=O)CC(n2nc(c(c2C)CC(=O)Nc2sc3CCC(c3n2)C(=O)OCC)C)CC1	PC-id_49705556	466.574	XEKAIIMAGXVCSP-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-147427
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CC)sc2CCCc2c1C#N	MCULE-6411440012,EMOLS-id_331790260	466.576	QOFNJRKZBHLUFJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147428
CC1CN(CCN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccc1)CC1CCOCC1	PC-id_145493455	466.576	CPHQCLHCNVEHCC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147429
CCCCCC(=Cc1ccccc1)C=NN1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C	PC-id_87852310,SCHEMBL5542541	466.576	WNFGMCQDYXXLGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147430
CCCCC/C(=Cc1ccccc1)/C=N/N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5542536	466.576	WNFGMCQDYXXLGU-ORFLIVQWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147431
c1(NC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338214,MCULE-3963577171	466.592	VJGZJBFFUNFDLM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147432
c1(NC(=O)CCCOc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343330,MCULE-4829660828	466.592	UNSQZYFJARBWGL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147433
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337706,MCULE-1420651448	466.592	DJAASCJQHJOTGM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147434
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328227,MCULE-4896514169	466.594	YVDNRXMFTYEGLO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-147435
c1(NC(=O)c2ccccc2c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330793,MCULE-5930683169	466.594	IPWSCRXEWSJKMK-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-147436
c1(C(=O)N(CC2CCCO2)Cc2cccc(OCCc3scnc3C)c2)c2CCCc2[nH]n1	PC-id_45230396,EMOLS-id_32412922,MCULE-6300307060	466.596	JGBUBTUQWBRTPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147437
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CC=C)sc2CCCc2c1C#N	MCULE-5545008879,EMOLS-id_331925011	466.596	YWEPIEAXWNZYEO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147438
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331924244,MCULE-9486689675	466.596	IGYTXUOAAPWPNH-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-147439
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CC=C)sc2CCCc2c1C#N	MCULE-4414711107,EMOLS-id_331923476	466.596	REMLVSDZIPBJKE-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147440
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCC)sc2CCCc2c1C#N	MCULE-1686089008,EMOLS-id_331920147	466.596	KNBBAWRLWUDAAW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147441
Cc1ncsc1CCOc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2CCC3)c1	CoCoCo_1506117,CoCoCo_1506115,ZINC22_12240863	466.596	JGBUBTUQWBRTPD-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147442
Cc1ncsc1CCOc1cccc(CN(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2CCC3)c1	CoCoCo_1506118,CoCoCo_1506116,ZINC22_12240873	466.596	JGBUBTUQWBRTPD-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147443
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)CCc1ccc(OC)cc1)C#N	PC-id_56137349	466.596	BRTLBMXJSCBQFP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147444
s1c2c(CCC2)c(c1NC(=O)CSc1sc(=S)n(n1)c1ccc(F)cc1)C(=O)N	PC-id_5026773	466.596	LEWUHWSKQYLYAX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147445
CCN(CC)c1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324823033	466.597	XCELJZRGXYYPGL-CLCOLTQESA-N	00000000100000110001000010000000000000000000000000000000	25-01-147446
n12c(=O)c(=Cc3ccc(N(CC)CC)cc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8658242820	466.597	XCELJZRGXYYPGL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147447
s1c2c(CCC2)c(c1NC(=O)CSc1sc(N(C2CC2)C(=O)C)nn1)C(=O)OCC	PC-id_33043075	466.597	FSGKOCNZOYGQGF-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-147448
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C2CC2)nn1)C)C(=O)OCC	PC-id_24155108	466.597	ARMUCFSZGZJQOO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-147449
S(=O)(=O)(N1CCCC1)c1ccc(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)nc1	PC-id_27977155	466.597	FYXMJZQMWILRQM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147450
C=C/C=C(C1=C(F)C(n2c1cnc2)CC1(SCCCS1)C1CCC(CC1)OC(=O)C)/F	PC-id_118931131,SCHEMBL17574227	466.607	HHZLNIXDOGRFKJ-BLLMUTORSA-N	00000011100010000001100010000000000000000000000000000000	25-01-147451
O=C1N(CCCCN2CCN(CC2)c2c(OC)cccc2)C(=O)c2c1c(n(c2C)CCCC)C	PC-id_10344485	466.616	GKTNCQDHEFETOG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147452
c1(NC(=O)CCCCCCC(=O)Nc2sc3c(CCC3)c2C#N)sc2c(CCC2)c1C#N	BAS-01506173,CoCoCo_201722,PC-id_3131768,MCULE-8295929461,EMOLS-id_1338853,ZINC22_6073488	466.619	MDLNDVORWXTCSD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-147453
CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)N(C)Cc3nnc4n3CCC4)cc2)CC1	ZINC22_1115965516	466.619	ROBZQYIKUZTJSF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147454
N#Cc1c(NC(=O)[C@@H](N2CC[N@H+](CC2)CC(=O)Nc2c(C)cccc2C)C)sc2c1CCC2	GD-id_ZINC27043054	466.619	GRDXVIQRJYWWQW-SFHVURJKSA-O	00000010100010110001000010000000000000000000000000000000	25-01-147455
S1Cc2c(nn(c2NC(=O)c2c(SCC)cccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053887	466.619	RKJCEMOYWIPTPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147456
S1Cc2c(nn(c2NC(=O)CSCc2ccccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053862	466.619	JHWWXALMYPVNQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147457
CCOC(=O)n1nc2c(c1NC(=O)C([Si](C)(C)C)(C)C)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_140882973	466.646	FYLYQIUYWXKWOV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147458
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)C([Si](C)(C)C)(C)C	PC-id_140817101	466.646	SXOKURKQJHQTMH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147459
COC(=O)CCCCc1cc2c(o1)C[C@H]([C@@H]2CO[Si](C(C)(C)C)(C)C)OC1CCCCO1	SCHEMBL10960878,PC-id_57311126	466.683	SZCPYRLZRYYCBI-FKHRANHKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147460
COC(=O)CCCCc1oc2c(c1CO[SiH](C)C)[C@@H]([C@@H](C2)OC1CCCCO1)C(C)(C)C	SCHEMBL10996786	466.683	VAJIMTDIPGKXNL-YQNXBIPGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147461
[Si](OCC1C(OC2OCCCC2)Cc2oc(cc12)CCCCC(=O)OC)(C(C)(C)C)(C)C	PC-id_76504635	466.683	SZCPYRLZRYYCBI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147462
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCCCCCCCCCCC)C(=O)OC	PC-id_54792001	466.7	BUWPUKWCSGXZAP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-147463
Fc1cc(Br)ccc1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324883468	466.711	HBHVARDNCCNRGD-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-147464
Fc1cc(Br)ccc1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324845809	466.711	RYLYVJZPEMTCMG-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-147465
Fc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1Br	EMOLS-id_324883464	466.711	VBDPKJBWLODULE-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147466
Fc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1Br	EMOLS-id_324841725	466.711	PIQFZCIOHMPIEM-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147467
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1ccccc1Cl	MCULE-6561792597	466.711	HBHVARDNCCNRGD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147468
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1ccc(Cl)cc1	MCULE-9767861010	466.711	RYLYVJZPEMTCMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147469
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1ccccc1Cl	MCULE-2775567064	466.711	VBDPKJBWLODULE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147470
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1ccc(Cl)cc1	MCULE-3435191111	466.711	PIQFZCIOHMPIEM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147471
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)Cc1ccc(F)cc1	MCULE-6127292204	466.711	PXVWGPLLTKXZBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147472
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(Cc3ccc(F)cc3)nn2c1=O	EMOLS-id_324839668	466.711	PXVWGPLLTKXZBZ-AUWJEWJLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147473
Clc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324915712	466.768	PJPRXVCDKZUMLN-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147474
Clc1ccc(OCCCc2nc3s/c(=Cc4ccccc4Cl)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324916738	466.768	JQPJQWGSXQORKB-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147475
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)ccc1Cl	PC-id_16947424	466.768	KZHHDAVBAKVRPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147476
n12nc(nc1sc(=Cc1ccccc1Cl)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-7882201795	466.768	JQPJQWGSXQORKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147477
n12nc(nc1sc(=Cc1ccc(Cl)cc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-3126335219	466.768	PJPRXVCDKZUMLN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147478
C=CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	PC-id_21880861,SCHEMBL2924310	466.794	STDIQCDIZDYXOO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-147479
CCSC1SC(c2c1c(sc2SC(C)(C)C)SC(C)(C)C)SC(C)(C)C	PC-id_101614737	466.874	XMAVBSIBBSYONJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-147480
Cc1cc(cc(c1)Cl)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C	SCHEMBL20252961,PC-id_134599060	466.92	OGUJRZAVRLWVIG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147481
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)Cl	PC-id_134598967,SCHEMBL20252867	466.92	BYQHKOYZZXEQJG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147482
Clc1c(OC(C)C)c(OC)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_41381915	466.935	POKITNWIGPNEKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147483
Clc1c(OCCC)c(OC)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_42486475	466.935	ZZSORQOROPGRKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147484
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-4246619085,EMOLS-id_321802876	466.94	FYSCWTRPNFKHPO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147485
CC(=O)N1CCN(CC1)C(=O)C1CCc2nnc(n12)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134798318	466.942	FJJYJPOWPLWMAL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147486
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2Cl)sc2c(CCC2)c1C(=O)NC	MCULE-4243566548	466.98	SSPWHSJHAFPKCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147487
CNC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)sc2CCCc12	EMOLS-id_334328533	466.98	SSPWHSJHAFPKCF-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147488
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)c2ccccc2)cc1	PC-id_16947346	466.983	GNHJRULLZHZKRF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147489
Clc1ccc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccccc3)CC2)cc1	PC-id_16947157	466.983	QCJQWHZXTYVQGM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147490
Clc1cc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccccc3)CC2)ccc1	PC-id_16947031	466.983	FHEKTZGNFHJZPK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147491
Clc1c(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccccc3)CC2)cccc1	PC-id_16947030	466.983	LGWPLXWOTGMEMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147492
c1(NC(=S)NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_19188865,MCULE-8840293072	467.001	YCVBPLOJQGSCLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147493
Clc1ccc(cc1)C(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)C)sc2c1CCC2	PC-id_112818820	467.001	INQFXSKRKZTCDF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147494
Clc1ccc(cc1)C(=O)c1c(NC(=O)C2CCN(CC2)S(=O)(=O)C)sc2c1CCC2	PC-id_112818821	467.001	VJDLHVDECVNVRI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147495
Clc1ccc(SCCCC(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_41272463	467.001	SQJSFQQPMCMMKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147496
c1(NC(=O)c2c(Cl)cnc(SCC)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2020648770,EMOLS-id_2636900,TIMTEC311796,ChEMBL-DNDi_CHEMBLD054-0286,PC-id_16436585	467.005	MLOMXZZHCFBAJI-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-147497
CCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)n1	PC-id_27315789,CoCoCo_2210027,ZINC22_16751592	467.005	MLOMXZZHCFBAJI-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-147498
CCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)n1	ZINC22_16751589,CoCoCo_2210026,PC-id_27315787	467.005	MLOMXZZHCFBAJI-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-147499
CN(C)CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1	BindingDB_PC-id_44324371,CHEMBL327929,PC-id_44324371	467.005	QGTLZWXBAMZEBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147500
CC1=C(N2CC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C(=C3)F)F)F	PC-id_155278669	467.074	LPSRPOHZNMKEFB-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-147501
CC(C1=CC(=CS1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4)(F)F	PC-id_164872016	467.079	PMJLALWMZQUVRV-MRXNPFEDSA-N	00000010100100110001000010000000000000000000000000000000	25-01-147502
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=CN(N=C4)CCF	PC-id_164871969	467.083	ZVTBDAUOXPKUDX-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147503
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=CN(N=C4)CCF	PC-id_164871988	467.083	ZVTBDAUOXPKUDX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147504
CC1=C(C=NN1CC(F)F)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4Cl	PC-id_164872073	467.099	JOVAURGMQDHAOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147505
CC1=C(C=CC(=C1)[C@H](C)NC(=O)C2=C3N(CCN3N=C2C)CC4=CC=C(C=C4)C(F)(F)F)C#N	PC-id_161245727	467.193	QUHYKTJFGIPADH-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147506
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC(=CC=C4)N5CCOCC5)C	PC-id_164611472	467.213	LJGCZBAONSUGFQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147507
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC(=CC=C4)N5CCOCC5)C	PC-id_164621649	467.213	JLXDGCSIJRNQOU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147508
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)N5CCOCC5)C	PC-id_164622550	467.213	ZXXLTAJEIQMHMD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147509
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)N5CCOCC5)C	PC-id_164623268	467.213	CGLJKJPXQBOLMC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147510
COC(=O)c1c2CCCc2c(s1)C(=O)C=C(c1cc(c(c(c1)Cl)F)Cl)C(F)(F)F	PC-id_86693749,SCHEMBL13857945	467.261	YTOWGWVGKXBOIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147511
COC(=O)c1sc(c2c1CCC2)C(=O)/C=C(/C(F)(F)F)c1cc(Cl)c(c(c1)Cl)F	SCHEMBL15194256	467.261	YTOWGWVGKXBOIP-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147512
CC1(C2=C(CN1C(=O)N[C@H]3CCCN(C3)C)C(=NN2)NC(C4=CC=C(C=C4)NC(=O)C=C)O)C	PC-id_153631869	467.264	INSFNAQUXVAIQD-LBOXEOMUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147513
Clc1cc(C(O)(CC(=O)c2sc(c3c2CCC3)C(=O)OC)C(F)(F)F)cc(Cl)c1	SCHEMBL13977573,PC-id_71042762	467.286	JMINIDOBUGDIQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147514
Clc1cc(NC(=O)CC2Sc3n(nc(n3)COc3ccc(Cl)cc3)C2=O)ccc1F	PC-id_46872125	467.301	HCQNPZPNSPKTFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147515
Brc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(F)cc1	PC-id_24347365	467.309	FUVAMRCUDPORSD-QPJJXVBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147516
Brc1cc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(F)cc1	PC-id_74263506	467.309	FUVAMRCUDPORSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147517
Brc1ccc(NC(=O)COc2c(OC)cc(/C=C/3Cn4c(C3=O)ccc4)cc2)cc1	CoCoCo_4588828,PC-id_17565998	467.312	BJSAZJUWVFMTTP-LFIBNONCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147518
Brc1ccc(NC(=O)COc2c(OC)cc(C=C3Cn4c(C3=O)ccc4)cc2)cc1	MCULE-2839736544,EMOLS-id_26233113,PC-id_72057146	467.312	BJSAZJUWVFMTTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147519
COc1cc(/C=C/Cn3cccc3C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1	ZINC22_96941985,PC-id_97743878,CoCoCo_4588829	467.312	BJSAZJUWVFMTTP-WJDWOHSUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147520
Brc1ccc(OC(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_45652442	467.334	TZPRSEFUQIORET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147521
Brc1ccc(O[C@H](C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_41050705	467.334	TZPRSEFUQIORET-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-147522
Brc1ccc(O[C@@H](C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_41050706	467.334	TZPRSEFUQIORET-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147523
Ic1c(ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1)C	PC-id_4955497,GD-id_ZINC14041133	467.347	JVRXNRRYJJXWIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147524
CC(C)[Si](c1c2c(c(s1)Br)C(C(C2(F)F)(F)F)(F)F)(C(C)C)C(C)C	PC-id_134940999	467.383	KFYDOFPKXAOGJA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-147525
O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc2c(s1)CCC2	CoCoCo_3758294,PC-id_4170204,ZINC22_12583298,MCULE-1921214237,EMOLS-id_2984528	467.389	SWKBFVDQDNPMQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147526
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]C(CO)(C)C)cc1	PC-id_26875270,GD-id_ZINC15946533	467.4	NVZXBLLARWOUER-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-147527
FCc1ccc(cc1)Oc1nnnn1c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL18031583,PC-id_122501596	467.41	PTKQPFANRYGMKS-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147528
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(F)cc1)C(F)(F)F	PC-id_16947285	467.412	NNFSOUUHGJAPDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147529
Cc1c(C(=O)C(=O)NC2(CO)CC(F)(F)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	PC-id_134285261,SCHEMBL19900984,BindingDB-id_799420	467.413	ZKCGUENBEJLDKJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-147530
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CO)CC(F)(F)C1	BindingDB-id_980722,SCHEMBL21296715,PC-id_139434878	467.413	HHBHMGILCLIXOP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-147531
Fc1ccccc1OCc1nnn(c1)c1cccc(c1)OC[C@]1(C)Oc2[n+](C1)cc([nH]2)[N+](=O)[O-]	PC-id_144820523	467.43	LNBMNAQAGRGBIN-JOCHJYFZSA-O	00000010100000110001100010000000000000000000000000000000	25-01-147532
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cnn2CC(F)(F)F)S(=O)(=O)C	PC-id_118479461,SCHEMBL17214310	467.437	XNXGWVGYLAVIAI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147533
FC(F)(F)c1ccc(CC(=O)NC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481218,SCHEMBL5541677	467.442	WFEQKTWZYZGSEK-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147534
FC(F)(F)c1ccc(CC(=O)NC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77659673	467.442	WFEQKTWZYZGSEK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147535
s1c2CCCc2c(c1NC(=O)CC[NH+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C)C#N	PC-id_36055010	467.485	DBIQQJFPEZCAJT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-147536
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)Nc2cc(ccc2)C(F)(F)F)ccc1	PC-id_33040324	467.485	WHGVPUZEGASVHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147537
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)O	PC-id_89237588,SCHEMBL14056218	467.494	JPSJCSYZLOSATP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147538
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cccc(c1)N(Cc1ccccc1)C(=O)O	SCHEMBL14058128,PC-id_89239133	467.494	PTPXECVAYLDLQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147539
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1cccc(c1)NC(=O)OCc1ccccc1	PC-id_140600981	467.494	LFNWVXIYWRAFSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147540
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)OCc1ccccc1	PC-id_140601048	467.494	OVMQZIABVKNFAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147541
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)c2occc2)c(cc1)C)C(=O)N	PC-id_3990898	467.494	NATTYMNPUUYLME-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147542
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(Oc2cccnc2)nccc1)C(=O)OCC	PC-id_56429205	467.494	ONTTZDRBHLZFML-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147543
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)OCC)sc2CCCc2c1C#N	EMOLS-id_333647775,MCULE-3570242649	467.498	DIQAWOWOIHNNJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147544
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(OC)cc2C)sc2CCCc2c1C#N	MCULE-1825409745,EMOLS-id_333649043	467.498	DHEFEQRTWKAPAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147545
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)ccc1	PC-id_44053407	471.37	UGKANFYGDIJUJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148506
c1(NC(=O)COc2nonc2CC(=O)NCc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_333685074,MCULE-7219424312	467.498	IVFDQRAMDUHCLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147546
c1(NC(=O)COc2nonc2C(=O)NCCc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_333715259,MCULE-3819847697	467.498	XQVIWFUUBCUHQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147547
c1(NC(=O)COc2nonc2C(=O)N(CCO)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-6041619675,EMOLS-id_333664201	467.498	AVYFHHMMCUOPMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147548
S1Cc2c(nn(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053556	467.498	OMZVXEXKJHHBDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147549
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])ccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053555	467.498	MUTCYJIKMKMLRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147550
S1Cc2c(nn(c2NC(=O)c2c([N+](=O)[O-])cccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053554	467.498	SWGHWMJSJLDNMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147551
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)CNc1cnc(cc1)C(F)(F)F)C(=O)O	SCHEMBL20353954,PC-id_135200372	467.504	VJXCVIAUKLUZFR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147552
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_22199149	467.504	ORGYVVOEACVVTQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147553
S(=O)(=O)(O)c1cc(c(n2ncc(c2N/N=C/2C(=Nn3nc(nc23)C)C(C)(C)C)C#N)cc1)C	PC-id_21032599	467.504	VVIVKZVOJBFXIY-LFVJCYFKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-147554
S(=O)(=O)(O)c1cc(c(n2ncc(c2NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)C#N)cc1)C	PC-id_73735499	467.504	VVIVKZVOJBFXIY-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-147555
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1	PC-id_89238734,SCHEMBL14057539	467.516	PNYOLTRVMXHOKU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147556
CCOC(=O)c1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408630289	467.516	RCVKKNYLQULLPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147557
CC(C)(C)OC(=O)NC(=NC(CCNC(=O)O)c1c2NCCn2nc1)NC(=O)OC(C)(C)C	SCHEMBL5000816,PC-id_136410117	467.519	JIWZLQUGTAWDMZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147558
FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1	EMOLS-id_328219769,MCULE-3141099203	467.526	KLTNBJCPHKACBF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-147559
s1c2c(CCC2)c(c1NC(=O)C(N(Cc1cc(OCC)c(OC(F)F)cc1)C)C)C(=O)N	PC-id_46406058	467.529	NMAICPGLTONVKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147560
COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(OC(=O)O)Cc2c(C1)ccs2	SCHEMBL18832665	467.534	ANNIHGWCKAGFMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147561
COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(OC(=O)O)Cc2c(C1)csc2	SCHEMBL18832674	467.534	RNHVIPJFBDMCTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147562
O=C(CCCCCn1cc[n+]2c1CCC2)NCCCC[C@H](N(CC(=O)O)CC(=O)O)C(=O)O	PC-id_102168749	467.536	SOPJKQQNDQTBHR-KRWDZBQOSA-O	00000010100000000001000010000000000000000000000000000000	25-01-147563
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	CoCoCo_1020625,TIMTEC292637,EMOLS-id_2529826,PC-id_2989484,ZINC22_8846287,MCULE-8982742291	467.537	LQBWXKCJBVRMHP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147564
c1(NC(=O)c2cc(on2)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16454784,EMOLS-id_9872484,TIMTEC211343,MCULE-1557646538	467.537	IDRZJXZSXKUMPE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147565
CCCOc1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1OC	EMOLS-id_324925452	467.537	OFHGZLLZVYOGEX-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147566
CCCOc1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1OCC	EMOLS-id_324873729	467.537	CBSLHTCHCJBFKI-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-147567
CCCOc1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1OCC	EMOLS-id_324875780	467.537	GEIIWXPXSOWLFW-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147568
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(OCC)cc4)nn3c2=O)cc1OC	EMOLS-id_324878343	467.537	JBWBUZHWEKZXME-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-147569
CCOc1cc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)ccc1OC	EMOLS-id_324893197	467.537	MVWGXCOFFVPTRG-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-147570
CCOc1cc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)ccc1OC	EMOLS-id_324893700	467.537	UOSBNCLYKSCFKD-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147571
CCOc1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1OCC	EMOLS-id_324924428	467.537	FJYDZDOACNNHIM-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147572
CCOc1ccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1OC	EMOLS-id_324891662	467.537	DSKILDQUZVEWCN-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-147573
CCOc1ccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1OC	EMOLS-id_324892165	467.537	MYGORZJNKBLVFK-QNGOZBTKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147574
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(OCC)c(OCC)c4)/c(=O)n3n2)cc1	EMOLS-id_324881414	467.537	DUPQOTOAMHNAFU-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-147575
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2ccc(OCC)cc2)sc2CCCc12	MCULE-8406060797,EMOLS-id_328229091	467.537	WIUUJFRESIOWMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147576
COc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)no2)cc1	CoCoCo_6309171,ZINC22_11915067,PC-id_42278894	467.537	IDRZJXZSXKUMPE-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147577
COc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)no2)cc1	PC-id_42278893,CoCoCo_6309170,ZINC22_11915066	467.537	IDRZJXZSXKUMPE-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147578
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2189965161	467.537	OFHGZLLZVYOGEX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147579
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-1190430132	467.537	JBWBUZHWEKZXME-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147580
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1ccccc1OC	MCULE-3521579320	467.537	CBSLHTCHCJBFKI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147581
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1cccc(OC)c1	MCULE-8158083021	467.537	GEIIWXPXSOWLFW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147582
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3265445253	467.537	DSKILDQUZVEWCN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147583
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-8903932436	467.537	MYGORZJNKBLVFK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147584
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-8542586171	467.537	FJYDZDOACNNHIM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147585
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-9772302709	467.537	DUPQOTOAMHNAFU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147586
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-2885179415	467.537	MVWGXCOFFVPTRG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147587
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-5178095722	467.537	UOSBNCLYKSCFKD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147588
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)NCCCOc1ccc(cc1)S(=O)(=O)N	PC-id_145969379	467.537	KMALCYBDCXVPKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147589
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)CCc1oc(c2ccc(cc2)C)cn1)C)C(=O)N	PC-id_29615024	467.537	BDFNJJDLORVJGF-CQSZACIVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147590
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)CCc1oc(c2ccc(cc2)C)cn1)C)C(=O)N	PC-id_29615027	467.537	BDFNJJDLORVJGF-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147591
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(c(c1)C)c1ccc(OC)cc1)C)C(=O)N	PC-id_30811600	467.537	PZGVONVGTGPTII-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-147592
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1C)c1ccccc1)C)C(=O)OCC	PC-id_3471133	467.537	IFHKWOVTUJDVON-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147593
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1ccc(N(C)C)cc1)C#N)C(=O)OCC	PC-id_3674283	467.537	WXIAZIIJRTWJTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147594
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCc1oc(c2ccc(cc2)C)cn1)C)C(=O)N	PC-id_74596717	467.537	BDFNJJDLORVJGF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147595
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(c(OC)cc1)C	PC-id_16948100	467.537	XVLSVNQCOKQFSB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147596
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(OCC)cc1	PC-id_16948048	467.537	AZJWFXQSKOLFJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147597
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(OC)ccc(c1)C	PC-id_16948079	467.537	UITPZMHIJSZLDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147598
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(OC)cc(cc1)C	PC-id_16948099	467.537	HUBDDJASEHPEAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147599
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(OCC)cccc1	PC-id_16948047	467.537	ODUOHHRZEPCNGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147600
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1ccc(OC)cc1	PC-id_16948009	467.537	KPMHFEUYWYCHOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147601
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1cc(OC)ccc1	PC-id_16948093	467.537	SBTLJTGNLKHTMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147602
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1c(OC)cccc1	PC-id_16948010	467.537	QYLJNYVNGMHWKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147603
COc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_45970140,ZINC22_27021637	467.539	UQLRMBVNVQYBJX-XPKUZYLUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147604
COc1cc(/C=c/sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OCc1ccccc1	ZINC22_16807422	467.539	UQLRMBVNVQYBJX-HINMRCCUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147605
Fc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC2CC32N(C[C@@H]1C)CCC3	PC-id_145493432	467.539	OBXYWWZWEMEQHD-MTNMVSIOSA-N	00100010100000101101000010000000000000000000000000000000	25-01-147606
n12nc(nc1sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)OC	MCULE-4718084004	467.539	YMNBUXVMMLYYDN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147607
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)C=Cc1ccccc1	MCULE-8004594732	467.539	UQLRMBVNVQYBJX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147608
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1sccc1)C(=O)OCC	PC-id_4146580	467.539	KVJORJPMJXIMAF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-147609
C1CC(N(C1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1)CO	PC-id_91424490	467.541	AMIVTLUQKIZKKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147610
OC1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4278068,PC-id_68983782	467.541	PUSHKTBYRXZALO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147611
OC1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL4278061,PC-id_24751883	467.541	DBJDBAATWFTDGA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147612
OCC1CCCN1c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4290176,PC-id_68989246	467.541	NLUYUAPYNVCBIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147613
OC[C@@H]1CCCN1c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL4290174,PC-id_24752028	467.541	AMIVTLUQKIZKKP-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147614
CCOc1cc(cc(c1OCC)OCC)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109355	467.557	HTEOTTMWZVTRGT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-147615
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1	PC-id_89236616,SCHEMBL14055082	467.561	NSPBHVBCKFLIBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147616
O1C(C(=O)N2C(c3[nH]nc(NC(=O)c4ccc(OC5CCN(CC5)C)cc4)c3C2)(C)C)CCC1	PC-id_85154398	467.561	UJNFBVMGZWWNPD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147617
O1[C@@H](C(=O)N2C(c3[nH]nc(NC(=O)c4ccc(OC5CCN(CC5)C)cc4)c3C2)(C)C)CCC1	PC-id_10479715	467.561	UJNFBVMGZWWNPD-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147618
Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	PC-id_16341865,EMOLS-id_43983972,GD-id_ZINC35400070,CoCoCo_4243329,MCULE-3212120943,ZINC22_35400070	467.562	LDHAXMBQHDESPI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-147619
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)NCCOC)C1	PC-id_44052960	467.562	QPIIRVFNBPTLKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147620
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1occc1)C	PC-id_44053244	467.562	RNFJVIPNGOFIGW-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-147621
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CC)sc2CCCc2c1C#N	MCULE-5339125891,EMOLS-id_331792051	467.564	RWHBUBZULNAWIP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-147622
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccc(cc2)OCC)sc2c(CCC2)c1C#N	MCULE-6685603186,EMOLS-id_322524017	467.564	OULAMYPSYSEIRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147623
CC1CN(CCN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1)CC1CCOCC1	PC-id_145493498	467.564	YCESHILLZDDXED-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-147624
CC(CN(C)C)NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)nn(C)c2C1(C)C	SCHEMBL20741182,PC-id_137497918,BindingDB-id_989414	467.564	WNOMOCPKNZTWEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147625
C=CC(=O)Nc1cccc(c1)C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)N[C@H](CN(C)C)C)C	PC-id_145111602	467.564	WSFWSMMTYKPCFZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147626
COc1ccc(CCc2nc3s/c(=Cc4c(C)nc5scc(C)n45)/c(=O)n3n2)cc1OC	EMOLS-id_324894218	467.564	WRRWCJMSWCFFDE-ZDLGFXPLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-147627
COc1ccc(OCCCc2nc3s/c(=Cc4c(C)nc5scc(C)n45)/c(=O)n3n2)cc1	EMOLS-id_324890626	467.564	FXYPTUAYYCUWND-WQRHYEAKSA-N	00000000100000110001000110000000000000000000000000000000	25-01-147628
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3263686021	467.564	WRRWCJMSWCFFDE-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-147629
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCCOc1ccc(OC)cc1	MCULE-1703212874	467.564	FXYPTUAYYCUWND-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-147630
CCOc1ccc(cc1)C=NNc1nnc([nH]1)SCC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_73384548,MCULE-9900486530	467.567	NGWIDXIRPYZKOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147631
CCOc1ccc(cc1)/C=N/Nc1nnc([nH]1)SCC(=O)Nc1sc2c(c1C#N)CCC2	SPECS-id_AN-153/I184255,PC-id_17369027	467.567	NGWIDXIRPYZKOC-FOKLQQMPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147632
COc1cccc(c1)C(=NNc1nnc([nH]1)SCC(=O)Nc1sc2c(c1C#N)CCC2)C	MCULE-9727655887,PC-id_73385804	467.567	KPEWHYZSJOCTFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147633
s1c2CCCc2c(c1NC(=O)CSc1nc(N/N=C(c2cc(OC)ccc2)/C)[nH]n1)C#N	PC-id_17387822	467.567	KPEWHYZSJOCTFI-ROTLSHHCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147634
s1c2CCCc2c(c1NC(=O)CSc1nc(N/N=C(/c2cc(OC)ccc2)C)[nH]n1)C#N	PC-id_28691490	467.567	KPEWHYZSJOCTFI-BRJLIKDPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147635
c1(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6763907357,EMOLS-id_334334888	467.58	ZFAHQUYJIIARCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147636
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccccc1)C(=O)NCCCOCC	PC-id_52087771	467.58	PWVDCWWIXKIKFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147637
CCCOc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324831479	467.582	CABMKSHZTBRNGP-BWAHOGKJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147638
CC(C)Oc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324832503	467.582	XXIVALCNHOLQSK-UQQQWYQISA-N	00000000100000110001000010000000000000000000000000000000	25-01-147639
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-4297834317	467.582	CABMKSHZTBRNGP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147640
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-9173406884	467.582	XXIVALCNHOLQSK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147641
c1(NC(=O)COc2cccnc2NC(=O)NC2CCCCCCC2)sc2c(CCC2)c1C#N	MCULE-4256130723,EMOLS-id_321874552	467.584	YCJWXXJACGAPAF-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-147642
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CC=C)sc2CCCc2c1C#N	MCULE-3500410552,EMOLS-id_331926035	467.584	RNVBPAGTHKKRAM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-147643
CC1(Cc2c(C1)[nH]nc2C(=O)Nc1cn(nc1)C(C1CCS(=O)(=O)CC1)c1ccccc1)C	PC-id_90036633,SCHEMBL15564245	467.584	ZZUSVOLCYCRCKX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147644
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C)C#N	PC-id_55482607	467.584	PPWXDYUNAPUJOU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147645
S(=O)(=O)(Nc1ccc(C(=O)NCc2n3CCCc3nn2)cc1)c1cc(C(C)(C)C)ccc1C	PC-id_37335531	467.584	PKYFUHUQYSMCSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147646
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)NCC2CCCO2)nc(sc1c1ccccc1)C	PC-id_43854742,MCULE-6479906056	467.604	GZVFHLLEKMRCDE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147647
CCCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OC	EMOLS-id_45970314,ZINC22_27022097	467.604	UCISCCSWPYDRLS-CLQWXRQJSA-N	00000000100100110001000010000000000000000000000000000000	25-01-147648
C=N/C(=CC(=C(C)C)c1cnn2c1CC(C2)(C)C)/NC(=O)[C@H]1CCC[C@H](C1)NC(=O)C1COC1	SCHEMBL19719173	467.604	LSGPCSUDQVEZIQ-SGXXPZDYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-147649
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCC)c2=O)C=Cc1cccs1	MCULE-5095708145	467.604	UCISCCSWPYDRLS-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-147650
CC(C([C@H]1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C)C	SCHEMBL10084217,PC-id_68030594	467.607	QQZPLNWGTIKOHS-YKBQRGLWSA-N	00000010100010101001000010000000000000000000000000000000	25-01-147651
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1Cc1ccccc1)C1CC1	MCULE-8333885738,EMOLS-id_11791471,PC-id_16347381,SCHEMBL20936251	467.607	UONHYJFDCKQMIC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147652
C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41157366,CoCoCo_4175436,ZINC22_9647664	467.607	UONHYJFDCKQMIC-ZDUSSCGKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147653
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41157367,CoCoCo_4175435,ZINC22_9647665	467.607	UONHYJFDCKQMIC-CYBMUJFWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147654
O(CCCCCC)C(=N)CC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CCO)C)cc1)C)C)C	PC-id_59920698	467.607	QWLMNKSKJIXFSY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-147655
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)c1ccc(CC(C)C)cc1)C(=O)N	PC-id_60510949	467.624	XOBHKGKEQXQACZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147656
c1(NC(=S)NNS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	MCULE-6875045397,CoCoCo_6801486,EMOLS-id_4151083,PC-id_4466329,ZINC22_20468237,TIMTEC605754	467.625	ZVPIPZOABWRURG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147657
s1c2CCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1ccc(cc1)C)CCSC	PC-id_46652840	467.625	OSTWQPNMQBRJHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147658
CC(c1nc2c(o1)NCC2CC(c1nn2c(c1)NCC2)C)CC1CNc2c1nc(s2)C(C)C	SCHEMBL19441930,PC-id_137261930	467.63	MTPKDUFBXOAUCO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147659
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CSc1ccccc1)CC=C)C#N	PC-id_21012685	467.63	WWBFIXPUWZJXLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147660
CCc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140883021	467.679	XZMDHVBPUFCZRX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147661
N#Cc1c(/N=C/c2ccc(Cl)cc2)c(C(=O)Nc2ccc(Br)cc2)n2c1CCC2	CHEMBL4451436	467.746	ZEIPMXOYYDKCBK-LGJNPRDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147662
c12c(sc(c1C(=O)C(C2=O)(Br)Br)Br)Br	PC-id_134925726	467.755	AQPMYSPYJSPJRI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-147663
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2cccs2)sc2c(CCC2)c1C(=O)OCC	TIMTEC354890,MCULE-8969049773,EMOLS-id_4403378,STOCK1S-69151,PC-id_3770221	467.817	OHOFSJOBGFRIHF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-147664
CCOC(=O)c1c(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_1452648,PC-id_1526807,CoCoCo_5796633	467.817	OHOFSJOBGFRIHF-MRXNPFEDSA-N	00000010100100000000000010000000000000000000000000000000	25-01-147665
CCOC(=O)c1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_2278120,CoCoCo_5796634,PC-id_1902739	467.817	OHOFSJOBGFRIHF-INIZCTEOSA-N	00000010100100000000000010000000000000000000000000000000	25-01-147666
C[Sn](S1(C=Cc2c1ccs2)[Sn](C)(C)C)(C)C	SCHEMBL1873422	467.835	MNURSARUHCMHEL-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-147667
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134605035,SCHEMBL20259601	467.869	CKRCMNOMQIXEAZ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-147668
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(nccc1)Cl)C	PC-id_87235226,SCHEMBL1371643	467.877	JHGGMTWZGYXAFA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-147669
Clc1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(OC)c1OC	PC-id_16513373	467.92	GNHXAPHXRNHAND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147670
Clc1c(OCC)c(OC)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_41145601	467.92	IFUISRYHGFKYHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147671
CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(OC)cc3)/sc12	ZINC22_33433410	467.921	IRQDNIRJOBOHNL-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147672
CCOC(=O)c1cc(n2c1sc(=Cc1ccc(cc1)OC)c2=O)C(=O)c1ccc(cc1)Cl	MCULE-9904843475,EMOLS-id_26189451	467.921	IRQDNIRJOBOHNL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147673
c1(NC(=O)c2cc(on2)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_11915963,EMOLS-id_9870753,MCULE-9360413008,PC-id_16455198,TIMTEC188684,CoCoCo_2254923	467.925	HELDFQKPOKLCOL-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-147674
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4247972246	467.925	LMOCZCIBFZFVRD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147675
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_321804924,MCULE-4509489725	467.928	KQJNBTMNEUSYCB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147676
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_321902587,MCULE-5224238468	467.928	QAFFKNUGTQIDHL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147677
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-9366944460,EMOLS-id_321805180	467.928	CFRPHFLGCAIILY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147678
CC(=O)Nc1ccc(/C=c/2sc3nnc(CCC(=O)Nc4ccccc4Cl)n3c2=O)cc1	ZINC22_1624126,NSC634671	467.928	GMFKWGHTOCXOHC-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147679
CC(=O)Nc1ccc(/C=c/sc3nnc(CCC(=O)Nc4ccccc4Cl)n3c2=O)cc1	ZINC22_17196828	467.928	GMFKWGHTOCXOHC-LDADJPATSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147680
Clc1ccc(S(=O)(=O)N(CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)C)cc1	PC-id_16496662	467.946	HXORRBLBGMRNCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147681
c1(c2ccccc2Cl)nc(SCC(=O)Nc2sc3c(CCC3)c2C#N)[nH]c(=O)c1C#N	MCULE-5023323262,EMOLS-id_324879233	467.951	WJAKKVROSVJVTL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147682
c1(NC(=O)CSc2nc(c3ccc(cc3)Cl)c(c(=O)[nH]2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_179049383,MCULE-1243274775,PC-id_136367236	467.951	TVHGFCWPBWLJTJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147683
c1(NC(=O)CSc2nc(c3cccc(Cl)c3)c(c(=O)[nH]2)C#N)sc2c(CCC2)c1C#N	EMOLS-id_323587093,MCULE-2134368388	467.951	VVHOTBZAUCAFQB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147684
Clc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2C[C@@H]2c2ccccc2)nc(n1)N(C)C	PC-id_59474167,SCHEMBL12143727	467.955	MNWLRVMLIKUAOK-AFYYWNPRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147685
Clc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)nc(n1)N(C)C	SCHEMBL1368708	467.955	MNWLRVMLIKUAOK-DZGCQCFKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147686
Clc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@H]2C[C@@H]2c2ccccc2)nc(n1)N(C)C	SCHEMBL15247498	467.955	MNWLRVMLIKUAOK-HIFRSBDPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147687
CN(C)c1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1	BindingDB-id_218905,SCHEMBL1368710,PC-id_87235027,BindingDB_PC-id_87235028	467.955	MNWLRVMLIKUAOK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147688
CCCCOc1ccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_27022621	467.968	MSJVHMFYVNQYEF-ZZLJLJNASA-N	00000000100000110001000010000000000000000000000000000000	25-01-147689
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	ZINC22_16735181,EMOLS-id_45964815	467.968	MSJVHMFYVNQYEF-ICWNOLGCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147690
Clc1c(C(=O)NC(CC(=O)NNC(=O)c2sc3CCCc3c2)c2ccccc2)cccc1	PC-id_24414311	467.968	INGOGQZWIDBOQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147691
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-3236397502	467.968	OQIYWIBFSUAKIK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147692
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-5242856804	467.968	MSJVHMFYVNQYEF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147693
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-1626669568	467.968	ILWPFFHWUDXXIY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147694
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_41828635,ZINC22_11122214,MCULE-9570514446,EMOLS-id_32180788	467.989	GKLPRLNJUSZODX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147695
Clc1c(cc(S(=O)(=O)N2CCCCC2)cc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_26872399	467.989	LPJDNMLZINASLK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147696
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_16861564	467.989	INDMVLBCMZJILE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147697
Cc1ccc(c2ccc(/C=C/C(=O)NC(=S)Nc3sc4c(c3C#N)CCC4)o2)cc1Cl	ZINC22_22579962,PC-id_23096347	467.991	JWCAEHBPNLTTMT-CSKARUKUSA-N	00000010101000110000100010000000000000000000000000000000	25-01-147698
Clc1c(ccc(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1)C	PC-id_74017061	467.991	JWCAEHBPNLTTMT-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-147699
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278772	468.004	YIXANQSVAVGMHQ-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-147700
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1F	PC-id_20175695	468.008	YLHMBALIOYZUDV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147701
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc(F)c1	PC-id_20168672	468.008	XTUNPFMTTCAOCZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147702
CC1=C(SC(=N1)OCC(F)(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)OC(C)(C)C	PC-id_164872094	468.075	KNDMYOPVEBPJKR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147703
[B](C1=C(C(=NC=C1)NCCN2C(=CC3=C2CC(C3)(C)C)C)CPI)O	PC-id_154693253	468.087	KRHTVPSERKZOSC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147704
Cc1c(n2CCCc2c1C(=O)C(=O)NC12CC(C1)C(C2)C#N)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_164020832	468.136	UZGPHDMWSKAELC-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-147705
CCN1C2=C(CN(C2)S(=C)(=O)C)C(=N1)C(=O)N3CCC(CC3)C4=CC=CC=C4C(F)(F)F	PC-id_146710978	468.181	RBLYEBGQQVYKFN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147706
c1(C#N)c2CCCc2sc1N=Cc1cc(Br)cc(Br)c1OC(C)C	PC-id_4145932,MCULE-5704981621	468.205	KHEXOAHHVKHOHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147707
CC(C)Oc1c(Br)cc(Br)cc1/C=N/c1sc2c(c1C#N)CCC2	PC-id_9649465,ZINC22_16575575,TIMTEC261353	468.205	KHEXOAHHVKHOHQ-LSFURLLWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147708
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC=C5)F	PC-id_147193412	468.254	CBWRRDYDJGNBST-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147709
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC=C5F	PC-id_147901333	468.254	IEIAALYZOCPDGG-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147710
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)(C5=CC=CC=C5)F	PC-id_151506069	468.254	PRLGKUBQYRQTRJ-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147711
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=C(C=C5)F	PC-id_151705219	468.254	RFKXTWGEQMJFDE-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147712
Brc1c([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_41243611	468.279	BTCDRNFGXFNBHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147713
C1Cc2c(c(c(n2C1)C(=O)Nc1cc(cc(c1)Cl)Cl)N=Cc1ccc(cc1)[N+](=O)[O-])C#N	PC-id_137649470	468.292	KTOMDZHWSFXMGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147714
CC1(C2=C(CN1)C(=NN2C(C3=CC=CC=C3)C(C)(C)CO)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_153699607	468.292	CTVGLPLZUMXJQO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147715
CC(C)[C@@H](C(C1=CC=CC=C1)O)N2C3=C(CNC3(C)C)C(=N2)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_153699554	468.292	DZEIPPBHDAFWAW-BGERDNNASA-N	00001010100000110001000010000000000000000000000000000000	25-01-147716
Fc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1F	EMOLS-id_324916739	468.304	ZZMIAURBVIACOW-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147717
Fc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c(F)c1	EMOLS-id_324917251	468.304	PFTQFLOEBQRPPE-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147718
Fc1ccc(F)c(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324916743	468.304	RTPVOYXXVBXVKY-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147719
n12nc(nc1sc(=Cc1ccc(cc1F)F)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-4822511356	468.304	PFTQFLOEBQRPPE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147720
n12nc(nc1sc(=Cc1ccc(c(F)c1)F)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-4345075381	468.304	ZZMIAURBVIACOW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147721
n12nc(nc1sc(=Cc1cc(F)ccc1F)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-3572105247	468.304	RTPVOYXXVBXVKY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147722
Brc1cc(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_35686521	468.318	OATNVEJPPZGHRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147723
Brc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc(OC)cc1	PC-id_24384183	468.318	QAGLUANNZTUJPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147724
Brc1oc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_4214689	468.318	UDJIKXRHLXUSDJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-147725
Brc1oc(/C=C/C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_6038760	468.318	UDJIKXRHLXUSDJ-VQHVLOKHSA-N	00000010101000000000000010000000000000000000000000000000	25-01-147726
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cccc(Br)c1)C(=O)OC	PC-id_2789430,MCULE-4931840735,STOCK2S-59000,EMOLS-id_1859936	468.318	ZZFMMYAYNKOURJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147727
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccccc1Br)C(=O)OC	ChEMBL-DNDi_CHEMBL6341598,EMOLS-id_1858460,MCULE-2542774384,STOCK2S-57216,PC-id_2789018	468.318	RKMHUITXWLQPMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147728
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)Br)C(=O)OC	STOCK2S-63088,EMOLS-id_1852133,ChEMBL-DNDi_CHEMBL2798-0044,MCULE-6571548583,PC-id_2787427,SPECS-id_AF-399/13428017	468.318	NBORAMOWSCHNGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147729
COC(=O)c1c(NC(=O)COc2ccc(Br)cc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_1708433,ZINC22_729917,PC-id_1051228	468.318	NBORAMOWSCHNGI-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147730
COC(=O)c1c(NC(=O)COc2ccc(Br)cc2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_729916,PC-id_1051227,CoCoCo_1708432	468.318	NBORAMOWSCHNGI-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147731
COC(=O)c1c(NC(=O)COc2cccc(Br)c2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_729988,CoCoCo_818715,PC-id_1051268	468.318	ZZFMMYAYNKOURJ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147732
COC(=O)c1c(NC(=O)COc2cccc(Br)c2)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_729989,PC-id_1051269,CoCoCo_818714	468.318	ZZFMMYAYNKOURJ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147733
COC(=O)c1c(NC(=O)COc2ccccc2Br)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_766623,PC-id_1561572,ZINC22_1768755	468.318	RKMHUITXWLQPMY-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147734
COC(=O)c1c(NC(=O)COc2ccccc2Br)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1183118,CoCoCo_766622,ZINC22_943088	468.318	RKMHUITXWLQPMY-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-147735
CN1CCC(F)(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]c2C1(C)C	SCHEMBL597665,BindingDB-id_295371,BindingDB_PC-id_59508151,PC-id_59508151	468.352	XVVWSZBGXIRNAF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147736
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OCCOC	PC-id_17356330	468.361	HJTINEXJBFHNOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147737
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCOC)cc1	PC-id_17357211	468.361	SXTDCOIYABIDKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147738
c1(NC(=O)CCc2cc(OC)c(cc2Br)OC)sc2c(CCC2)c1C(=O)OC	PC-id_19236728,MCULE-9290873273	468.361	WINCIZCXPIMTRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147739
Cc1c(n2CCCc2c1C(=O)C1=C[C@](N1)(C(=O)N)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	PC-id_134605076,SCHEMBL20259648	468.377	KZDGVMHGQUTCCU-FQEVSTJZSA-N	00001110100000110000000010000000000000000000000000000000	25-01-147740
Brc1ccc(c(c1)CC1CCn2c1c(CC(=O)N(C1COC1)C)n(c2=S)C)F	SCHEMBL21136779,PC-id_139294273	468.383	WIVPKSZJXDTMKR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147741
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc1Br	ZINC22_16692128,PC-id_4504707	468.388	GCKWZAKHKIGZTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147742
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_57316577,PC-id_17334589	468.388	QSYSAEJSTUWPQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147743
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1Cl	PC-id_22198728	468.397	JSWCZQYSDRVWDF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147744
COC(=O)Oc1ccc(cc1C(=O)Nc1nc2c(s1)S(=O)CC2)OC(C(F)F)(F)F	PC-id_56971590,SCHEMBL6399706	468.4	IRSFWZOQIQROPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147745
FC(F)(F)c1ccc(CC2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)[O-])cc1	SCHEMBL6010642,PC-id_69635165	468.406	SHRXCTRIDJYOIF-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-147746
FC(F)(F)c1ccc(C[C@@H]2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)[O-])cc1	PC-id_69635174,SCHEMBL6010648	468.406	SHRXCTRIDJYOIF-FUKCDUGKSA-M	00000010100010110001000010000000000000000000000000000000	25-01-147747
O=C1S/C(=Cc2ccc(cc2)C(F)(F)F)/C(=O)N1CCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_23081355,SCHEMBL5539095	468.406	ARALFWLAIWITMG-JYRVWZFOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147748
O=C1SC(=Cc2ccc(cc2)C(F)(F)F)C(=O)N1CCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_74016068,SCHEMBL5539101	468.406	ARALFWLAIWITMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147749
CC(=NN1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1cc(c(c(c1F)F)OC)F	SCHEMBL5534665,PC-id_87851130	468.43	ABEXJVRCPXCCRW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147750
CC(=NN1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1ccc(cc1)OC(F)(F)F	SCHEMBL5534662,PC-id_87851126	468.43	XMSCAOSJWXONNQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147751
C/C(=NN1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])/c1ccc(cc1)OC(F)(F)F	PC-id_140503024	468.43	XMSCAOSJWXONNQ-CPUXBYDOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147752
C/C(=N/N1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])/c1ccc(cc1)OC(F)(F)F	SCHEMBL5534656	468.43	XMSCAOSJWXONNQ-ILRHRSLTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147753
CC(=NN1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccc(cc1)OC(F)(F)F	SCHEMBL5534660	468.43	XMSCAOSJWXONNQ-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-147754
CN(C(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccc(cc1)C(F)(F)F	PC-id_69482854,SCHEMBL5547449	468.43	KUPFYHOURHFNLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147755
CN(C(=O)N1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])c1ccc(cc1)C(F)(F)F	SCHEMBL5547442,PC-id_69482847	468.43	KUPFYHOURHFNLK-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-147756
FC(F)(F)c1ccc(CNC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_78036093	468.43	NDBRGJHYPDSOHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147757
FC(F)(F)c1ccc(CNC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL14563904,PC-id_71205984	468.43	NDBRGJHYPDSOHG-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-147758
FC(F)(F)c1ccc(NC(=O)CN2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5542906,PC-id_69481444	468.43	LNMBWJKEDXWBRT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147759
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081601,SCHEMBL5543410	468.43	YHLOCECBLXLSTA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147760
FC(F)(F)c1ccc(NC(=O)NC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481576,SCHEMBL5543401	468.43	YHLOCECBLXLSTA-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-147761
s1c2c(CCC2)c(c1NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC	PC-id_19649274	468.436	KMUPYJSGUSMUKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147762
N=N/C(=CNc1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])/COc1ccc(cc1)F	SCHEMBL19718969	468.438	WVHHGJQFYWAEPS-KEZRXXJVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147763
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)/C=C/c1ccc(OC(F)(F)F)cc1)C)C(=O)N	PC-id_24498759	468.446	ZQPOCIRNSSHJKW-JXMROGBWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147764
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1ccc(OC(F)(F)F)cc1)C)C(=O)N	PC-id_74287811	468.446	ZQPOCIRNSSHJKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147765
Cc1c(cc(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)F	SCHEMBL20252884,PC-id_134598984	468.456	WQAMMSZNRDBNIR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147766
Cc1cc(c(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)F	SCHEMBL20252946,PC-id_134599045	468.456	FGHOQCAGSSOGRV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147767
Cc1c(c(c(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)F)F	PC-id_134599063,SCHEMBL20252964	468.456	ZYUIBROUABYKBN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147768
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cccc(c1)C(F)F	PC-id_134303032,BindingDB-id_799408,SCHEMBL19920752	468.456	MADCJRUEHZZXGR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147769
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1cn(C)nn1	PC-id_139507390,BindingDB-id_980714,SCHEMBL21378249	468.456	IDLAFVXQJPGZAU-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147770
C#CCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	PC-id_24772682,SCHEMBL2163190	468.464	WYVACSSXTVUBIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147771
s1c2c(CCC2)c(c1NC(=O)CO/N=C/c1cc(OC)c(OC(F)F)cc1)C(=O)OCC	PC-id_16545205	468.471	BGAUJBKVNQMKME-YSURURNPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147772
s1c2c(CCC2)c(c1NC(=O)CON=Cc1cc(OC)c(OC(F)F)cc1)C(=O)OCC	PC-id_73270208	468.471	BGAUJBKVNQMKME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147773
c1(NC(=O)CSc2nc(c3ccco3)cc(n2)C(F)(F)F)sc2c(CCC2)c1C(=O)N	SPECS-id_AP-906/42285593,TIMTEC193122,ZINC22_2776694,MCULE-4291976730,CoCoCo_280525,BAS-03153931,EMOLS-id_1420481,PC-id_2170793	468.473	HJJBIMCHKVEEEZ-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-147774
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)c1ccc(cc1)C(F)(F)F	PC-id_23081617,SCHEMBL5537476	468.473	OKJBXNIQUYFIHH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147775
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)c1ccc(cc1)C(F)(F)F	SCHEMBL5537471,PC-id_69479830	468.473	OKJBXNIQUYFIHH-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147776
c1(NC(=O)COc2cccnc2NC(=O)Cc2c(cccc2F)F)sc2c(CCC2)c1C#N	MCULE-6742813074,EMOLS-id_321809010	468.476	GFIJWEXUPPQJAV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147777
c1c(nc2n1C[C@@](O2)(COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)F)C)[N+](=O)[O-]	PC-id_6483580,CHEMBL375145	468.478	FZKLBOMOYOVLTA-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-147778
Fc1ccc(OC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_78413382	468.478	FZKLBOMOYOVLTA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147779
O=CN(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)C)C(=O)c1ccccc1)c1ccc(cc1)F	PC-id_141257353	468.479	XDFBPYMYIGTTTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147780
O=CN(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)F)C(=O)c1ccccc1)c1ccc(cc1)C	PC-id_141257363	468.479	MEAZCQYRWKWWCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147781
O=C(Nc1nn(c2c1CN(C2)C(=O)c1ccc(cc1)F)C(=O)c1ccccc1)Cc1ccccc1	PC-id_141257355	468.479	QTCBWRKGAOJYCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147782
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC(=O)c2occc2)cccc1)C(=O)OC	PC-id_16533708	468.479	NOUBEBFNVJBFJL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147783
CCOC(=O)c1c(NC(=O)CC(CNC(=O)C(F)(F)F)c2ccccc2)sc2CCCc12	MCULE-9693429667,EMOLS-id_327903433	468.489	MCFGJRYIITXDON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147784
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1c(N2CCOCC2)ccc(c1)C(F)(F)F)C	PC-id_24335533	468.489	XCJSLLQMGCUNAM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147785
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCc2ccc(F)cc2)ccc1)C(=O)N	PC-id_32388241	468.497	ADGDHKREDZWTHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147786
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OCc2ccc(F)cc2)cccc1)C(=O)N	PC-id_41563905	468.497	ASZXRCBYLITRGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147787
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N)ccc1OC)C(=O)OC	PC-id_16518349	468.501	GLMMHLNBTQRJES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147788
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)C(=O)c1occc1	PC-id_16947196	468.501	RUXJETNFSDCHSH-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-147789
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1c(OC)ccc(NC(=O)C)c1	PC-id_16947331	468.501	MFDGESNDFKVTKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147790
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(=O)OC)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053754	468.501	JFPJFPVQYTZAGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147791
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)n1	EMOLS-id_1359705,ZINC22_19893145,TIMTEC376690,BAS-01939655,PC-id_1129749,MCULE-2643538854,CoCoCo_224981	468.514	PFVDCOVKDKLZCS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147792
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@]1(CO)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678267,PC-id_137440957	468.519	RJYOTBAHTNNVBB-KPOBHBOGSA-N	00100010100000000000000010000000000000000000000000000000	25-01-147793
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@]1(CO)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678268,PC-id_137440958	468.519	RJYOTBAHTNNVBB-JUJMCKSGSA-N	00100010100000000000000010000000000000000000000000000000	25-01-147794
COC(=O)NC(=O)c1c(NC(=O)CCCS(=O)(=O)c2ccc(cc2)F)sc2c1CCC2	PC-id_41274572,GD-id_ZINC09915226	468.519	BLDIWPSSANUGKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147795
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)c1ccc(F)cc1	PC-id_16947193	468.519	RKCQZFPMZGIFBQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147796
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_16947192	468.519	BYAKRCGYBUEQEE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-147797
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccccc1OCCC)C#N)C(=O)OC	MCULE-8651312845,PC-id_73569161	468.522	BSMYYDIJPRADON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147798
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccc(cc1)OCCC)C#N)C(=O)OC	PC-id_73553050,MCULE-5407808807	468.522	OHTXORMZCVGOAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147799
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)OC	PC-id_16579902	468.522	DKBKVCKRRIWDEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147800
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C(=C/c1ccc(OCCC)cc1)/C#N)C(=O)OC	PC-id_19177155	468.522	OHTXORMZCVGOAL-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147801
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C(=C/c1c(OCCC)cccc1)/C#N)C(=O)OC	PC-id_19206700	468.522	BSMYYDIJPRADON-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147802
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(n1C)C(=O)NCCc1ccccc1	PC-id_89237443,SCHEMBL14056053	468.525	WNMNUQZVVMPDOR-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-147803
CCN(C(=O)COC(=O)c1cc2c(s1)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	EMOLS-id_48947705,CoCoCo_3644364,ZINC22_9467264,PC-id_16285909,MCULE-2067661411	468.525	ODQRTWPLWXOLMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147804
N#CCCN(c1ccccc1)C(=O)COC(=O)CCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3090970,MCULE-3101981128,PC-id_3516374,EMOLS-id_3174310	468.525	HRQXTHMBQIXRCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147805
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N2CCC(CC2)C)cc1)C#N	PC-id_41407770	468.525	MXOARRDNDCSYMT-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-147806
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(nc1)c1ncccc1)CC)C(=O)OCC	PC-id_55648972	468.525	VIJVIGMWAAKUHN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-147807
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1=NN(c2c(ccc(c2)C)C)C(=O)CC1)C(=O)N	PC-id_41051923	468.525	GQVPQVVAMCEOQN-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-147808
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053299	468.525	COLFLZLGEHUOPS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-147809
COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1	BindingDB_PC-id_59474152,BindingDB-id_218956,PC-id_59474152,SCHEMBL1368748	468.527	YQBNVEKCLSMWHT-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147810
c1(NC(=O)COc2cccnc2NC(=O)N2CCC(CC2)C(=O)N)sc2c(CCC2)c1C#N	EMOLS-id_321874299,MCULE-3096431841	468.529	ZOXFTMHNCKNFBK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147811
c1(NC(=O)COc2cccnc2NC(=O)N2CCN(C(=O)C)CC2)sc2c(CCC2)c1C#N	EMOLS-id_321858745,MCULE-1105108381	468.529	UNMYIWNZEGSORJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-147812
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408630585	468.544	VHMUZIBTECZKIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147813
COC(=O)c1c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408602034	468.544	BXYSNQORMBJYPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147814
COC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408623588	468.544	YEGMFVIYHNADJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147815
S1Cc2c(nn(c2NC(=O)c2ccc(OC(C)C)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053679	468.544	ZRUDPRDVSSACTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147816
S1Cc2c(nn(c2NC(=O)Cc2ccc(OCC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053723	468.544	RNBVTKBAGCOGQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147817
S1Cc2c(nn(c2NC(=O)CCc2ccc(OC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053741	468.544	IPBAHLYXABQYPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147818
CCOC(=O)n1nc2c(c1NC(=O)C1CC1c1ccccc1)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1204617,PC-id_66941218	468.545	DXDWPUHVJFHGCM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-147819
CCOC(=O)n1nc2c(c1NC(=O)[C@@H]1C[C@H]1c1ccccc1)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1204616,PC-id_58015571	468.545	DXDWPUHVJFHGCM-DLBZAZTESA-N	00100010100000110001100010000000000000000000000000000000	25-01-147820
CCOC(=O)c1cnn(c1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(C)cc1	MCULE-5829104670,EMOLS-id_328223356	468.547	LORWQGFSBRMKCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147821
c1(c2CCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1ccc(cc1OC)OC	CoCoCo_948184,MCULE-8646143693,EMOLS-id_1999564,ChEMBL-DNDi_CHEMBL7612116,ZINC22_729130,PC-id_1050792,SPECS-id_AE-848/42024836	468.565	RADBKKYYLCLGGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147822
c1(c2CCCc2sc1NCc1ccc(c(OC)c1)OC)C(=O)Nc1ccc(cc1OC)OC	MCULE-5337979922,CoCoCo_2720357,PC-id_3700045,EMOLS-id_16406082	468.565	VHTYNSJBVIAXQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147823
c1(c2CCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_920832,MCULE-7450143309,TIMTEC227208,PC-id_1166843,EMOLS-id_1439529,CoCoCo_306024,BAS-03715642	468.565	IVHIJHJJLFWJMC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147824
c1(c2CCCc2sc1NCc1cc(OC)ccc1OC)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_1166845,MCULE-1129873950,BAS-03715644,EMOLS-id_1439533,ZINC22_920834,CoCoCo_306026	468.565	QIDPXUHYWVFMPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147825
c1(c2CCCc2sc1NCc1cc(OC)c(cc1OC)OC)C(=O)Nc1ccccc1OC	PC-id_4689709,CoCoCo_2720361,MCULE-9704102184,EMOLS-id_16406090,CHEMBL1369333	468.565	QMCZICDAABBGRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147826
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9785728917,EMOLS-id_334343329	468.565	WDMNADQSZSJBHL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147827
CC(=O)c1ccc(NC(=O)COC(=O)c2c(NC(=O)C3CCCCC3)sc3c2CCC3)cc1	PC-id_41733157,EMOLS-id_24972624,CoCoCo_2889314,MCULE-7659125139,ZINC22_10933584	468.565	UWDUBUFFJHBTKE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147828
COc1ccccc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2OC)sc2CCCc12	EMOLS-id_16406094,MCULE-8647814229,CoCoCo_2720363,PC-id_3284191,CHEMBL1600427	468.565	XRLKUEJMYRHOTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147829
O=C(NC(=O)Cc1ccccc1)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	PC-id_45663336,GD-id_ZINC10932673	468.565	KKKTUYFUCXSMIU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147830
s1c2c(c(c1NCc1cc(OC)c(OC)cc1)C(=O)Nc1c(OC)ccc(OC)c1)CCC2	PC-id_4689706,CHEMBL1357428	468.565	APPFNTINXIUNPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147831
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)c1ccc(NC(=O)C)cc1	PC-id_41733030	468.565	DEMJCBHHKYMFSH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147832
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1cc(ccc1)C(=O)C	PC-id_55311116	468.565	WJWDCNHZBYTBQU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147833
c1(c2CCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)OCc1ccccc1	PC-id_1659762,EMOLS-id_179141358,MCULE-2033631599	468.567	KFOUWNWXQSLBGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147834
c1(NC(=O)C(=Cc2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2711838270	468.567	UCIVXFOQPRSMGH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147835
O=C(Nc1sc2CCCc2c1C(=O)NCc1ccco1)/C(=Cc1ccccc1)/c1ccccc1	EMOLS-id_334339240	468.567	UCIVXFOQPRSMGH-QJOMJCCJSA-N	00000010101000110000000010000000000000000000000000000000	25-01-147836
c1(NC(=O)c2[nH]nc(c3ccc(cc3O)C)c2)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-7319492000,PC-id_135785276	468.569	KERVIQAPDRLYKX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147837
c1(NC(=O)c2[nH]nc(c3cc(C)ccc3O)c2)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-7020627376,PC-id_135785258	468.569	CAMSABJBLSJEGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147838
c1(NC(=O)c2[nH]nc(c3cccc(C)c3O)c2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_135675459,MCULE-3772486936	468.569	RKMUHKMDKOZPAO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147839
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CC=C)sc2CCCc2c1C#N	MCULE-1035746283,EMOLS-id_331924757	468.569	KYTALNHIUPSRIX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147840
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCO)sc2CCCc2c1C#N	MCULE-2295591639,EMOLS-id_331927582	468.569	VDYXFDVWQCIVHR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147841
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	CoCoCo_3156917,PC-id_2573633,ZINC22_3453393	468.569	BLRLOAUUMJZJCO-DEOSSOPVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147842
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	ZINC22_3453390,PC-id_2573630,CoCoCo_3156918	468.569	BLRLOAUUMJZJCO-XMMPIXPASA-N	00000010100000110001100010000000000000000000000000000000	25-01-147843
N#C/C(=C/c1cc(n(c1C)CC(C)C)C)/C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3150842	468.569	LHGLKPCNHUPJGF-MFOYZWKCSA-N	00000010110000000000000010000000000000000000000000000000	25-01-147844
N#C/C(=Cc1cc(n(c1C)CC(C)C)C)/C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3150843,PC-id_5987965	468.569	LHGLKPCNHUPJGF-RQZCQDPDSA-N	00000010110000000000000010000000000000000000000000000000	25-01-147845
N#CC(=Cc1cc(n(c1C)CC(C)C)C)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-5845753767,EMOLS-id_26054932,PC-id_4017333	468.569	LHGLKPCNHUPJGF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-147846
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1C(=O)NC(C1=O)(C)c1ccc(cc1)C(C)(C)C	PC-id_4834139,MCULE-4589858181,EMOLS-id_3319410	468.569	BLRLOAUUMJZJCO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147847
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)S(=O)(=O)N1CCCC1	PC-id_92109412	468.569	DHOHBVXKTKKMSB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-147848
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(C=CC2=O)C)/NN1)C(=O)NCCCOCC	PC-id_19130947	468.569	YDAUEZKKKDKAES-MSUUIHNZSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147849
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=O)C(=CC=C2)C)/NN1)C(=O)NCCCOCC	PC-id_19119232	468.569	HPPXHRKATPJYIM-BMRADRMJSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147850
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C=C(C=C2)C)/NN1)C(=O)NCCCOCC	PC-id_19130982	468.569	BPKQHYKWSQXLQT-ICFOKQHNSA-N	00000011100011000001100010000000000000000000000000000000	25-01-147851
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C=CC2=O)C)C1)C(=O)NCC1OCCC1	PC-id_74721494	468.569	VKZWJYUFNBSMBI-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-147852
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC=C2)C)C1)C(=O)NCC1OCCC1	PC-id_73535725	468.569	BSYRHEYJYIGAEV-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-147853
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C=C(C=C2)C)C1)C(=O)NCC1OCCC1	PC-id_74721511	468.569	IBHWGCASHXFWJL-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-147854
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)c2ccccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053427	468.57	LLEDAAAWGVSKAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147855
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1c(onc1C)C	PC-id_41210776	468.57	LDHAXMBQHDESPI-UHFFFAOYSA-O	00000010100010000001000010000000000000000000000000000000	25-01-147856
c1(NC(=O)COc2cccnc2NC(=O)N(C)C2CCN(C)CC2)sc2c(CCC2)c1C#N	EMOLS-id_321856697,MCULE-1160833520	468.572	AVZYAUKASKGMLI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147857
CCC(=O)Nc1cc(c(cc1)C(=C1C=c2c(=N1)cc(s2)N(C)C(=O)CN1CCOCC1)N)N	PC-id_90077394	468.572	NPZISINZWYJAKO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147858
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(nn2N)NC(=O)c1nccs1)C	PC-id_89803999	468.575	ZTFFIRLEJDWLIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147859
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n(nc2NC(=O)c1nccs1)N)C	SCHEMBL15256598	468.575	ZTFFIRLEJDWLIR-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147860
S(=O)(=O)(c1c([nH]nc1NN=C1C(=Nn2c1nnc2C)C(C)(C)C)C(C)(C)C)c1ccccc1	PC-id_59247751	468.575	WXBZTLHPUXYUBG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-147861
S(=O)(=O)(c1c([nH]nc1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)C(C)(C)C)c1ccccc1	PC-id_59247742	468.575	KHKFWWONCOPWBK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-147862
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccc(C)c(C)c3)o2)sc2c1CCC2	ZINC22_33664144,PC-id_5038707	468.588	IEPZBZVJIUOMLA-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-147863
COC(=O)c1sccc1C(=O)N(C)Cc1ccccc1CNC(=O)c1cc2c(s1)CCC2	ZINC22_1875343525	468.588	MFFCTKNRDSDHMJ-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-147864
Cc1ccc(NC(=O)c2c(NC(=O)C(C)c3ccc(CC(C)C)cc3)c(C#N)c3n2CCC3)cc1	CHEMBL568702,PC-id_45112544	468.59	HVAQFTDVUMZWOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147865
CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)CC	PC-id_3240427,CoCoCo_2666509	468.59	HFTFXKGNMCMREW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147866
OCC[C@H]1CC([C@@H](CN1CCC)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_140298160	468.592	XMEKZWLONCCHQR-DVKDBIPTSA-N	00000010100010101001000010000000000000000000000000000000	25-01-147867
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC=C)C(=O)OC	PC-id_19729889	468.592	CZIOFKYMPQFGJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147868
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC=C)C(=O)OC	PC-id_19730081	468.592	CLBSFGXQPYNIQG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147869
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC=C)C(=O)OC	PC-id_19730273	468.592	HQTSYYYYMDYEHB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147870
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)CC=C)C(=O)OCC	PC-id_19728014	468.592	DJQQQSODIAGBDU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-147871
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC=C)C(=O)OC	PC-id_17302831	468.592	GZCJYNUKZAIIHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147872
S1Cc2c(nn(c2NC(=O)c2c(SC)cccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053599	468.592	ADPJOYARFOISOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147873
Cc1ccccc1OCCCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335766990,MCULE-2455227563	468.595	RSIKOHGIARRPFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147874
Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)c1C	EMOLS-id_335763908,MCULE-6969417888	468.595	FCZXFEVKNSLWQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147875
Cc1cccc(OCCCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)c1	MCULE-2343406742,EMOLS-id_335770571	468.595	KTHWMLXVHVOOHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147876
Cc1ccc(OCCCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	EMOLS-id_335767489,MCULE-8432171715	468.595	FEILXFMQXONDPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147877
CCCc1ccc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	EMOLS-id_335760327,MCULE-6131272773	468.595	VIALHUIYKRSEPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147878
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nccc(n1)C)CC1CCOCC1	PC-id_71070277,SCHEMBL14103874	468.595	WEOGOXNQODZMTL-KRWDZBQOSA-N	00000010100010100001000010000000000000000000000000000000	25-01-147879
C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nccc(C)n3)n[nH]c2C1(C)C	SCHEMBL3326139,PC-id_25155217,BindingDB-id_546084,BindingDB_PC-id_25155217	468.595	IQUOBMYXQWQYMS-SJORKVTESA-N	00000010100010100001100010000000000000000000000000000000	25-01-147880
N#Cc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_140883018	468.599	WHHDHRFLPYKIDK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147881
CC(C)(C)c1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	SCHEMBL20339094,PC-id_135187040	468.608	CRIUXRSEDSABHP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147882
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C(=O)Nc1c(cccc1C)C)C	PC-id_55422434	468.608	JNWKHPZIKAMWMS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147883
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(CC)cccc1C	PC-id_41733009	468.608	NLRXZSBJZDPRLL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-147884
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1sccc1	PC-id_41099988	468.61	NEARQECNKMDBDU-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-147885
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1sccc1	PC-id_44027172	468.61	QQLBBZGTGMOGHM-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-147886
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1sccc1	PC-id_44028500	468.61	OMQXNSAQHUWUHE-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-147887
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCCC)sc2CCCc2c1C#N	MCULE-3515463888,EMOLS-id_331930384	468.612	CIDMCYYHQITKDT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147888
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCC(C)C)sc2CCCc2c1C#N	MCULE-9400215774,EMOLS-id_331927057	468.612	DXPCLTLULLIGRR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147889
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCC)sc2CCCc2c1C#N	MCULE-2272639654,EMOLS-id_331920402	468.612	KYCUMFFFDKWRJQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147890
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCC)sc2CCCc2c1C#N	MCULE-3731005709,EMOLS-id_331923225	468.612	LDPDFSIKGOZEJO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147891
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CC(C)C)sc2CCCc2c1C#N	MCULE-8533060502,EMOLS-id_331923221	468.612	MCOOYUDXXJQJRS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147892
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCC)sc2CCCc2c1C#N	EMOLS-id_331919635,MCULE-3975887345	468.612	NDZFCGAVWHLEGW-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-147893
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCC)sc2CCCc2c1C#N	MCULE-1148402930,EMOLS-id_331922962	468.612	ASDYSERPAVOCEN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147894
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CC)sc2CCCc2c1C#N	MCULE-1088835965,EMOLS-id_331926294	468.612	ZMXDPKAAKPSERK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-147895
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CC=C)sc2CCCc2c1C#N	EMOLS-id_331923732,MCULE-4310937331	468.612	FALQUPJSWAJAKK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147896
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CC=C)sc2CCCc2c1C#N	MCULE-5082523392,EMOLS-id_331927060	468.612	LZHNIJUWPCZHBN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147897
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)cc1	EMOLS-id_324904453	468.612	CSNSBLOYBMLZRZ-PGMHBOJBSA-N	00000000100010110001000010000000000000000000000000000000	25-01-147898
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)CCC1CCCCC1	MCULE-8941462280	468.612	CSNSBLOYBMLZRZ-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-147899
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)C(c1ccccc1)(C)C)C)C(=O)N	PC-id_46571663	468.612	RDUWSADQGOCBMM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147900
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)CCCc1ccccc1)C)C(=O)N	PC-id_56281447	468.612	RZNBJFMVXICJQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147901
c1(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)sc2c(CCC2)c1C(=O)OCC	ZINC22_12139834,EMOLS-id_5479887,MCULE-5823540174,PC-id_4065909,CoCoCo_5021962	468.613	VHRQCRDUZUIUDQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147902
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)S(=O)(=O)c1cccs1	EMOLS-id_43982098,PC-id_24680301,MCULE-5362758242	468.613	AUHZJPSWVHQGCE-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-147903
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)c2cccs2)CC1	PC-id_26295944,CoCoCo_4225641,ZINC22_14916384	468.613	AUHZJPSWVHQGCE-LBPRGKRZSA-N	00000010100110000001000010000000000000000000000000000000	25-01-147904
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC22_14916383,PC-id_26295942,CoCoCo_4225640	468.613	AUHZJPSWVHQGCE-GFCCVEGCSA-N	00000010100110000001000010000000000000000000000000000000	25-01-147905
CCN(CC)S(=O)(=O)c1ccc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nc1	EMOLS-id_12007691,CoCoCo_4181424,MCULE-2984349541,PC-id_17557343,ZINC22_8724334	468.613	ACOSBYFLCAZHOF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147906
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)CC(C)C)nn1)C(=O)OCC	PC-id_23828570	468.613	DYUJJIZFRORPCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147907
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)CCCC)nn1)C(=O)OCC	PC-id_23905727	468.613	JFAQYEUMIRTSAY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147908
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCC)nn1)C)C(=O)OCC	PC-id_23796525	468.613	XMQZAMWNQRFDGO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147909
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C(C)C)nn1)C)C(=O)OCC	PC-id_24128716	468.613	ORTQCXJHNRLXDV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-147910
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053807	468.655	IAGMJTFNESLEQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147911
CCOC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_140817108	468.664	RLZHQWVQYKBMFI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147912
CCO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_141487857	468.664	RLZHQWVQYKBMFI-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147913
COc1ccccc1CC(=O)N1Cc2c(C1(C)C)n(nc2NC(=O)C1CCC1)[Si](CC)(C)C	PC-id_140817106	468.664	UCRQWZLVQDAWMS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147914
Brc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cccc1	PC-id_44053406	471.37	ZYBYLUQCMHBWOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148507
COCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_140817150	468.664	LKFYWGUYXMQPAX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147915
CO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](CC)(C)C)c1ccccc1	PC-id_140817065	468.664	DKNWKEKLLKEOGK-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147916
OCC(c1ccccc1)CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817046	468.664	SQBGXQBJRGUNQX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-147917
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@H]1CCc2nn(c[n+]12)Cc1ccccc1	PC-id_135085277	468.685	HWOVCLLPGONBRQ-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-147918
[Si](OC[C@H]1[n+]2c(nn(c2)Cc2ccccc2)CC1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_25108428	468.685	HWOVCLLPGONBRQ-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147919
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3cc(Cl)ccc3O)/c(=O)n2n1	EMOLS-id_324912655	468.741	HBBHCXPSJDPLKJ-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147920
n12c(=O)c(=Cc3cc(ccc3O)Cl)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-9863614989	468.741	HBBHCXPSJDPLKJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147921
o1c2c(C(CC2)(C)/C=C/C/C(=C/CO)/C)cc1CCCCCCCC=CCCCCCCCC	PC-id_15726432	468.754	RNRJPACKVXHGHY-KGDYDLGTSA-N	00000010100000000000000010000000000000000000000000000000	25-01-147922
o1c2c(C(CC2)(C)C=CCC(=CCO)C)cc1CCCCCCCC=CCCCCCCCC	PC-id_85446786	468.754	RNRJPACKVXHGHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-147923
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)CCC1CCCCC1	MCULE-8390615200	468.795	WSVAYCHZFGSXOH-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-147924
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(CCC3CCCCC3)nn2c1=O	EMOLS-id_324904970	468.795	WSVAYCHZFGSXOH-DHDCSXOGSA-N	00000000100010110001000010000000000000000000000000000000	25-01-147925
C=CCOc1c(cc(cc1[Si](C(C)(C)C)(C)C)C)[Si](C1C(=Cc2c1sc(c2)C)C)(C)C	SCHEMBL2922170,PC-id_21881017	468.842	FAKYWMXJOOKIBK-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-147926
Cc1c(n2CCCc2c1C(=O)C(=O)NC12CCC1C(C2)C#N)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920740,PC-id_134303020	468.908	SDMVAUVKCNKRKV-UHFFFAOYSA-N	00001010100010110000001010000000000000000000000000000000	25-01-147927
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccccc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_321773051,MCULE-5386168344	468.913	TWMLVEZPZLRGFZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147928
c1(NC(=O)COc2cccnc2NC(=O)Oc2cccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-4786118448,EMOLS-id_321772541	468.913	OVVWHEMAPMSWOI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147929
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(Cl)cc2)sc2c(CCC2)c1C#N	EMOLS-id_321771260,MCULE-5661407569	468.913	OSHXWOKDXSGLOI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147930
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(Cl)n2)sc2c(CCC2)c1C#N	EMOLS-id_321906160,MCULE-1439727329	468.916	TXSJLMRLBXIZKA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147931
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cn2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_321902591,MCULE-3128151709	468.916	LIIMSFIJLTVEMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147932
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccnc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_321902079,MCULE-9444202401	468.916	GZJLONQJBSNAKR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147933
c1(NC(=O)COc2cccnc2NC(=O)Nc2nccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-2535458250,EMOLS-id_321905136	468.916	KIKWEBUCZNALEQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-147934
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC12CC(C1)(C2)C(=O)N)C)Cl	PC-id_134599065,SCHEMBL20252966	468.933	GEOYFMKUHRZQOM-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-147935
O=C(Nc1ccccc1Cl)NCc1nnn(c1)CC1CCCN1C(=O)c1n[nH]c2c1CCC2	MCULE-8837893489,EMOLS-id_324066101,PC-id_146097487	468.939	XAJFNVAQUUYXCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147936
O=C(NCc1cn(C[C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nn1)Nc1ccccc1Cl	ZINC22_1875322566	468.939	XAJFNVAQUUYXCV-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147937
O=C(NCc1cn(C[C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nn1)Nc1ccccc1Cl	ZINC22_1875322567	468.939	XAJFNVAQUUYXCV-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147938
Clc1ccc(NC(=O)c2c3C(CCc3sc2NC(=O)Cc2ccccc2)C(=O)OC)cc1	PC-id_25181373	468.953	XPNJYRXGYPZKQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147939
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_8724146,PC-id_16281376,MCULE-6116874323,CoCoCo_3131619,EMOLS-id_11996493	468.956	MQTKJVPSZVCLLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147940
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O)CCC	MCULE-4035239440	468.956	SJAJIOAJAQPQSP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-147941
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_16924083	468.974	DRRMVNFMQYYYRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147942
O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cc2c(s1)CCC2	PC-id_16505604,EMOLS-id_43413372,MCULE-7248212988,ZINC22_9725052,CoCoCo_2840774	468.974	UFWRPQKDOBAKHI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147943
c1(NC(=O)C(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330024,MCULE-6410706781	468.996	JPZJJZMLSMCFRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147944
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4042367890,EMOLS-id_334328488	468.996	XXNUFQUPYHRXKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147945
[Cl-].N12C(=C([C@@H]([C@@H]1[C@H](C2=O)[C@H](O)C)C)S[C@H]1C[C@H](NC1)Cc1cn2[n+](c1)CCC2)C(=O)O	CHEMBL31022	468.997	XSBHCCZHCOSESU-POZMKREASA-N	00001011100000000001001010000000000000000000000000000000	25-01-147946
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)C(=O)N	SCHEMBL19772164,PC-id_134170986	468.999	MKXSSPLDXKIQAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147947
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cc1ccc(cc1)C(=O)N	SCHEMBL18367986	468.999	MKXSSPLDXKIQAY-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147948
c1(NC(=O)c2c(Cl)cnc(SCCC)n2)sc2c(CCC2)c1C(=O)NCCCOC	TIMTEC388583,MCULE-5154959985,ZINC22_9223324,CoCoCo_3821126,EMOLS-id_3540380,PC-id_16262110	469.02	PTCWNJWNPFODRJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-147949
c1(NC(=O)c2c(Cl)cnc(SCC)n2)sc2c(CCC2)c1C(=O)NCCCOCC	ZINC22_16750218,PC-id_16435968,CoCoCo_2229957,EMOLS-id_2636920,TIMTEC83090,ChEMBL-DNDi_CHEMBLD054-0304,MCULE-6022027267	469.02	BQFXMBBRUUHTSM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-147950
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278719	469.029	WNUMNFYTAYHVCE-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-147951
CC1=C(N2CCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C(=C3)F)F)F	PC-id_155278699	469.089	AOUUJTLNTDGPSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147952
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931889	469.103	XGESWQWRPNMKJG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147953
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931908	469.103	XGESWQWRPNMKJG-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147954
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164871985	469.103	DNYPPYOFRVRVDF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147955
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931950	469.103	DNYPPYOFRVRVDF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147956
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872162	469.103	LNBBPUBOLAOHLC-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147957
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872182	469.103	LNBBPUBOLAOHLC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147958
COC(C1=CC=CC=C1F)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164872247	469.103	MHIMNAGAEGRSKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147959
CC1(CCC(CC1)C(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)Cl)Cl	PC-id_164947437	469.142	ABPNWKQWFGNSQL-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-147960
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@H](CNC)c1ccccc1)F	PC-id_163738884	469.224	LGAJSCBRAWXOPA-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147961
Clc1cc(CC2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)[O-])cc(Cl)c1	PC-id_69635307,SCHEMBL6010768	469.299	VTMNTVMTDSGAFY-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-147962
Clc1cc(cc(c1)Cl)C[C@H]1CN(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL6010773,PC-id_69635315	469.299	VTMNTVMTDSGAFY-FUKCDUGKSA-M	00000010100010110001000010000000000000000000000000000000	25-01-147963
Fc1ccc(c(c1)F)[C@]([C@H](N1Cc2c(C1=O)cc(s2)Br)C)(Cn1ncnc1)O	PC-id_122189808	469.303	WPRYMYLOWQSVQL-MLCYQJTMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147964
Fc1ccc(c(c1)F)[C@]([C@H](N1Cc2c(C1=O)sc(c2)Br)C)(Cn1ncnc1)O	PC-id_122189817	469.303	KPYJZANJFUEYIQ-MLCYQJTMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-147965
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(s3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324911630	469.322	CQNMXPFGSFXHMM-QPEQYQDCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-147966
n12c(=O)c(=Cc3ccc(N(=O)=O)s3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-4201838483	469.322	CQNMXPFGSFXHMM-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-147967
NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)sc2c1CCC2	ZINC22_16385701,PC-id_4505411	469.333	ONXWDKXNBBLNEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147968
c1(NC(=O)c2cc(OC)c(c(OC)c2Br)OC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331091,MCULE-2183744679	469.349	ATNOACFOEXYMTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147969
O=C(NCc1nnc2n1CCC2)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	MCULE-9768333338,PC-id_17516705,CoCoCo_4574130,EMOLS-id_16724674,ZINC22_12910885	469.356	ICIXOVQXCXQULI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147970
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(OC)cc1	PC-id_17094468	469.373	RMBBTYRDEUDOJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147971
Brc1ccc(SCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_29342275	469.373	UTNOSCPQSUZBHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147972
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccc(F)c1)Nc1sc2c(CCC2)c1C(=O)N	TIMTEC570065,CoCoCo_1955272,PC-id_3644444,ZINC22_3671777,SCHEMBL743879,MCULE-8110846953,EMOLS-id_6772132	469.376	YHPILIJZNHROMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147973
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2202495550,PC-id_18848625	469.381	AKULCBUMUHMGAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147974
c1(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333871,MCULE-2563066934	469.381	NESJBGWUVPBCIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147975
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5544409129,EMOLS-id_334335657	469.381	OFEALJJFPWYEKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147976
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2426538467,EMOLS-id_334333865	469.381	GOOYLPRYHJLEFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147977
Clc1cc(NC(=O)CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)ccc1Cl	PC-id_46630511	469.385	ZFZWRZIZOWTKMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147978
Clc1cc(NC(=O)CN([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)ccc1Cl	PC-id_33761692	469.385	ZFZWRZIZOWTKMT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147979
Clc1cc(NC(=O)CN([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)ccc1Cl	PC-id_33761701	469.385	ZFZWRZIZOWTKMT-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-147980
Clc1c(NC(=O)CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)c(Cl)ccc1	PC-id_55432194	469.385	KRPQJVSGMKMERF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147981
Brc1ccccc1C(=O)Nc1sc2CCCc2c1C(=O)NCCc1ccccc1	EMOLS-id_334330019,MCULE-2838399166	469.394	NBNLJFXXMGYASM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147982
Brc1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)NCCc1ccccc1	EMOLS-id_334330795,MCULE-5818124969	469.394	GLWYZONKBLKXEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147983
Brc1cccc(c1)C(=O)Nc1sc2CCCc2c1C(=O)NCCc1ccccc1	MCULE-9887041377,EMOLS-id_334331299	469.394	FQQYDIOMYFHAQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147984
Brc1ccc(CC(=O)Nc2sc3CCCc3c2C(=O)NCc2ccccc2)cc1	ZINC22_20522668,PC-id_4513695,EMOLS-id_4152145,TIMTEC146154,CoCoCo_6798028,GD-id_ZINC20522668,MCULE-4824998689	469.394	FIQUJEYABMPASV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147985
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)Br)C(=O)Nc1ccccc1CC	EMOLS-id_2763235,CoCoCo_1731257,PC-id_3746120,ZINC22_4211548,MCULE-8655161385	469.394	LZQVMOABAGTJIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147986
c1(c2CCCc2sc1NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1CC	ZINC22_2945956,CoCoCo_735105,EMOLS-id_2123307,MCULE-5154191647,PC-id_2266621	469.394	QWYHBHRETZJFBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147987
FC(F)(F)c1ccc(CC2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc1	PC-id_69635166	469.414	SHRXCTRIDJYOIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147988
FC(F)(F)c1ccc(C[C@@H]2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc1	PC-id_69635175	469.414	SHRXCTRIDJYOIF-FUKCDUGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147989
FC(F)(F)c1ccc(COC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_16729616	469.414	KXGRVKLVGQMYOK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147990
FC(F)(F)c1ccc(COC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69635161,SCHEMBL6010637	469.414	KXGRVKLVGQMYOK-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-147991
FC(F)(F)c1ccc(NC2CCN(CC2)C(=O)OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_69481331,SCHEMBL5542338	469.414	DGDIQLNGNKMXLY-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147992
FC(F)(F)c1ccc(NC2CCN(CC2)C(=O)OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_69481332,SCHEMBL5542345	469.414	DGDIQLNGNKMXLY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-147993
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)COc1ccccc1	MCULE-4718251943	469.436	ZVQOSHRBAKZKBP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-147994
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC(F)F)cc1)C(=O)OCC	PC-id_16503490	469.456	OOHSLCSUOOAUTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147995
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OC(F)F)c(OC)ccc1)C(=O)OCC	PC-id_55326242	469.456	JLYDDYNWIGBNDC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-147996
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)c1cc(F)c(F)cc1)C(=O)NCc1occc1	PC-id_52077872	469.461	YOFMZKWXYODGFO-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-147997
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(cccc2F)F)sc2c(CCC2)c1C#N	EMOLS-id_321901567,MCULE-2310113647	469.464	QWYXAEIHKLGCMB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147998
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2F)F)sc2c(CCC2)c1C#N	EMOLS-id_321904638,MCULE-6621769533	469.464	PJPKPNGVKQMVDC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-147999
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(F)c(F)c2)sc2c(CCC2)c1C#N	MCULE-4743408590,EMOLS-id_321901055	469.464	NWHGFTRSADSUPY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148000
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(F)ccc(F)c2)sc2c(CCC2)c1C#N	EMOLS-id_321904382,MCULE-7214253785	469.464	ALGWCGCDEYBVKY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148001
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(OC)c(OC)c2)sc2CCCc2c1C#N	EMOLS-id_333678581,MCULE-2273437597	469.47	SZYMBKOGWMXJRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148002
c1(NC(=O)COc2nonc2C(=O)Nc2cc(OC)cc(OC)c2)sc2CCCc2c1C#N	EMOLS-id_333680631,MCULE-3804504680	469.47	QEZXASLQIDSTPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148003
[O-][N+](=O)c1ccc(cc1)/C=N\n1c2CCCc2c(c1C)P(=O)(c1ccccc1)c1ccccc1	PC-id_101042417	469.472	XPVBXKRAOWEXCS-USHMODERSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148004
P(=O)(c1c2c(n(/N=C/c3ccc([N+](=O)[O-])cc3)c1C)CCC2)(c1ccccc1)c1ccccc1	PC-id_10874336	469.472	XPVBXKRAOWEXCS-TURZUDJPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148005
P(=O)(c1c2c(n(N=Cc3ccc([N+](=O)[O-])cc3)c1C)CCC2)(c1ccccc1)c1ccccc1	PC-id_85297731	469.472	XPVBXKRAOWEXCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148006
s1c2c(CCC2)c(c1NC(=O)CNc1c(cccc1)C(=O)NCC(F)(F)F)C(=O)OCC	PC-id_24583369	469.477	CSBOWHOEHASPKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148007
c1(NC(=O)COc2nonc2CC(=O)NCCc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_333685584,MCULE-5605542493	469.489	KTXADFVNFQXOCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148008
S1Cc2c(nn(c2NC(=O)c2c(c([N+](=O)[O-])ccc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053701	469.489	UZGJIVDAAYLGSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148009
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])c(cc2)C)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053702	469.489	RKCDSPBZWYZUAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148010
S1Cc2c(nn(c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053725	469.489	SWXMYIKULSXECJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148011
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O	MCULE-3485643672,EMOLS-id_328215161	469.49	AGYFBOVHNNCYCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148012
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN	EMOLS-id_328339096,MCULE-2250042986	469.49	YMEDBDUYYBRXLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148013
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN	EMOLS-id_328338840,MCULE-8714921662	469.49	ZHXRZZRGPARDES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148014
O=C([C@@H]1N(Cc2c1cnn2C)C(=O)Nc1ccc(cc1)C)Nc1ccc(cc1)n1ccncc1=O	SCHEMBL14138802,PC-id_71081248	469.495	AUNMFXFZNJWRDS-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148015
O=C(Nc1ccc(n2c(=O)cncc2)cc1)C1N(Cc2n(ncc12)C)C(=O)Nc1ccc(cc1)C	PC-id_78003860	469.495	AUNMFXFZNJWRDS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148016
c1(NC(=O)CSc2nc(cc(C)c2C#N)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	ZINC22_663323,SPECS-id_AM-807/14147296,MCULE-3513045702,EMOLS-id_8250590,PC-id_1005157,CoCoCo_6930085	469.5	SMAKKGUPMPWLOV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148017
c1(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C(=O)OCC	STOCK3S-20508,CoCoCo_1825920,PC-id_1005154,SPECS-id_AM-807/14147293,EMOLS-id_4487867,MCULE-6562079589,ZINC22_663320	469.5	VIKNUIAPFGSABL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148018
c1(NC(=O)CS(=O)C(C)C(=O)Nc2ccccc2C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-6030395062,EMOLS-id_320606672	469.5	LTIUPZVJYZQNGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148019
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[N@@H+](Cc1ccc(cc1)C(=O)NCC(F)(F)F)C	GD-id_ZINC27296663	469.5	KJTIUDVMMZZDJO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-148020
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN(S(=O)(=O)c1ccc(F)cc1)C)C(=O)N	PC-id_42980859	469.507	XISOOJGBLLLYJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148021
Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	ZINC22_13129575,PC-id_4843710,MCULE-6665650562,EMOLS-id_3402485,CoCoCo_2845498	469.51	NCVVFNZSDVERMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148022
CCOc1ccc(OCc2nc3s/c(=Cc4cc(OC)c(OC)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324880899	469.51	PHOSSDSNKRKBPG-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148023
COc1ccc(Cc2nc3s/c(=Cc4cc(OC)c(OC)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324923913	469.51	PEYTZORELIMYCS-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148024
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-1561070250	469.51	PEYTZORELIMYCS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148025
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1ccc(cc1)OCC	MCULE-2326232297	469.51	PHOSSDSNKRKBPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148026
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCc2c(onc2C)C)ccc1)C(=O)N	PC-id_45611516	469.51	YHBICRSQKJJSQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148027
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nn(c2ccccc2)cc1OC)C(=O)OCC	PC-id_27705299	469.51	VNZWHCRKBSYROL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148028
CCOC(=O)c1ccc(c2ccc(/C=c/3sc4nc(/C=C/c5ccccc5)nn4c3=O)o2)cc1	EMOLS-id_206990833,STOCK4S-77191,ZINC22_9209602	469.512	KAOVDFQLFHGQDG-VCQCOGNXSA-N	00000000101000110001100010000000000000000000000000000000	25-01-148029
COc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccccc1)CN(C)C)F	PC-id_67008729,SCHEMBL1370467	469.512	DGHHJVFKMVEUBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148030
COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1	SCHEMBL1370462,PC-id_59474221,BindingDB-id_218969,BindingDB_PC-id_59474221	469.512	DGHHJVFKMVEUBA-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148031
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-8493036676	469.512	KJXHHECEFROSCF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-148032
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccccc1	MCULE-3149002189	469.512	KAOVDFQLFHGQDG-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-148033
c1(cn(nc1OC)C)C(=O)Nc1ccc(cc1)C(=O)Nc1sc2c(C(CC2)C(=O)OCC)n1	MCULE-7421225180,PC-id_49676170,EMOLS-id_31212808	469.514	ORDAUAOYCYWFGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148034
c1(NC(=O)COc2cccnc2NC(=O)N2CCC(CC2)C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321857208,MCULE-1666898290	469.514	VAZSVQMLWZLOHI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148035
c1(NC(=O)COc2cccnc2NC(=O)N2CCCC(C(=O)O)C2)sc2c(CCC2)c1C#N	MCULE-2971661342,EMOLS-id_321856696	469.514	NZABKHVINZCPGO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148036
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(NC(=O)c4cn(C)nc4OC)cc3)nc12	ZINC22_49025956,PC-id_52313825	469.514	ORDAUAOYCYWFGM-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148037
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(NC(=O)c4cn(C)nc4OC)cc3)nc12	ZINC22_49025958,PC-id_52313826	469.514	ORDAUAOYCYWFGM-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148038
s1c2c(CCC2)c(c1Nc1nc(NCCc2ccc(OC)cc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127519	469.517	GPSQTHDCUVBGTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148039
s1c2c(CCC2)c(c1NC(=O)CN(Cc1cc(c(OCC(F)(F)F)c(c1)C)C)C)C(=O)N	PC-id_52690809	469.52	NCBDRZJJRPVNNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148040
FC(F)(F)c1nn(c2c1CCC2)CC(=O)N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1	PC-id_4444729	469.522	PFVDCOVKDKLZCS-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-148041
NC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)sc2c1CCC2	CoCoCo_3218570,EMOLS-id_11824125,MCULE-4902203476,ZINC22_9913114,PC-id_16372236	469.525	PJCCHXCTWNDZKF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148042
c1(NC(=O)c2cc(on2)c2ccc(c(F)c2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9800573005,PC-id_16455995,TIMTEC570670,EMOLS-id_9875058	469.528	YIFUNYBMRGZPOS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148043
Cc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)no2)cc1F	CoCoCo_6310335,PC-id_42280255,ZINC22_11917620	469.528	YIFUNYBMRGZPOS-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148044
Cc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)no2)cc1F	CoCoCo_6310336,ZINC22_11917623,PC-id_42280256	469.528	YIFUNYBMRGZPOS-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148045
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCCc1cc(OC)c(OC)cc1	PC-id_16947228	469.528	NKTKMYGYIVUYFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148046
FC1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	PC-id_68986809,SCHEMBL4285294	469.532	SHRQNOAYQDBQLJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148047
FC1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24751884,SCHEMBL4285288	469.532	DJGJYIWEXQDGSX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148048
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1	PC-id_140963668	469.533	JTYKSBBNWRODJI-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148049
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(NC(=O)c2sccc2)cc1)C(=O)N	PC-id_30119083	469.533	PEBHFFCRYNOMSD-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-148050
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC(=O)c2sccc2)cccc1)C(=O)N	PC-id_55539069	469.533	XEAHJHCCVAVLTP-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-148051
s1c2CCCc2c(c1NC(=O)COC(=O)c1nc(sc1)c1cc(OC)c(OC)cc1)C#N	PC-id_24523166	469.533	GTKANEKSWRTRRB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148052
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N1C[C@@H](C)NC[C@@H]1C)NC(=O)c1ccccn1	SCHEMBL597086,PC-id_59508175	469.537	SJTYBMNOHVOQMI-CABCVRRESA-N	00000010100010101001000010000000000000000000000000000000	25-01-148053
O=C(N1C(c2n(nc(NC(=O)c3ncccc3)c2C1)C(=O)OCC)(C)C)N1C(CNC(C1)C)C	PC-id_72310314	469.537	SJTYBMNOHVOQMI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148054
COc1ccc(c(c1)C=NNc1nnc([nH]1)SCC(=O)Nc1sc2c(c1C#N)CCC2)O	MCULE-2943659116	469.54	OWOSETTWELRHLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148055
COc1ccc(c(c1)/C=N/Nc1nnc([nH]1)SCC(=O)Nc1sc2c(c1C#N)CCC2)O	PC-id_136030464,SPECS-id_AN-153/I181444	469.54	OWOSETTWELRHLA-LSFURLLWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148056
COc1cc(c(cc1)O)/C=NNc1nc(n[nH]1)SCC(=O)Nc1c(c2c(s1)CCC2)C#N	PC-id_135900733	469.54	OWOSETTWELRHLA-AFPJDJCSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148057
s1c2CCCc2c(c1NC(=O)CSc1nc(NN/C=C/2C=C(OC)C=CC2=O)[nH]n1)C#N	PC-id_17368830	469.54	FAJSDQNFBXXKGJ-PKNBQFBNSA-N	00000010100011000001000010000000000000000000000000000000	25-01-148058
s1c2CCCc2c(c1NC(=O)CSc1nc(NNC=C2C=C(OC)C=CC2=O)[nH]n1)C#N	PC-id_28761930	469.54	FAJSDQNFBXXKGJ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-148059
s1c2c(CCC2)c(c1NC(=S)N1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_19654986	469.543	ZUBHUAGYGOLLHW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148060
CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_327953981,MCULE-1580804959	469.553	HFKZNBDWXJUKGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148061
OC[C@H]1CC1c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)N)C	PC-id_118368801,SCHEMBL17080528	469.553	UUOYXQRHSJUFPU-JVIIGWRGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148062
OC[C@H]1C[C@@H]1c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)N)C	PC-id_118368802,SCHEMBL17080529	469.553	UUOYXQRHSJUFPU-MRBOTJLVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148063
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1ccc(cc1)C(=O)N	PC-id_45663375	469.553	SZYFKLDIXOMKDC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148064
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1oc(c(c1C#N)C)C	PC-id_24594237	469.553	OLCRAHLAQJUGMS-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-148065
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NNC(=O)c1ccccc1	PC-id_45663324	469.553	LREBEYZHANGVOI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148066
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1(CCN(CC1)C(=O)C)c1ccccc1)C(=O)N	PC-id_35974603	469.553	CCGIMQSCBWOXFR-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-148067
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1c(n(CCC)c(c1)C)C)/C#N)C(=O)OC	PC-id_24365698	469.553	MTORSBJBAWTCMJ-GZTJUZNOSA-N	00000010110000000000000010000000000000000000000000000000	25-01-148068
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1c(n(CCC)c(c1)C)C)C#N)C(=O)OC	PC-id_74265581	469.553	MTORSBJBAWTCMJ-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-148069
Cc1cccc(C)c1OCc1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324873739	469.555	WACQXIVYVLGVHI-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148070
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)c1	EMOLS-id_324886016	469.555	YZXFLNBDFSLICE-IWIPYMOSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148071
Cc1cccc(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)c1C	EMOLS-id_324875790	469.555	NBQFTQZMUKOHHV-IWIPYMOSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148072
CCc1cccc(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)c1	EMOLS-id_324889100	469.555	LQIJSGFBZKJSLR-JLPGSUDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148073
CCc1ccc(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_324888067	469.555	SGHJKEWYKGULMK-JLPGSUDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148074
CCOc1cc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)ccc1O	EMOLS-id_324832498	469.555	AYCUPOMKJCIMKH-JLPGSUDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148075
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)ccc1OC	EMOLS-id_324822524	469.555	YLVFBCCOJBVJSQ-QJOMJCCJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148076
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1OC	EMOLS-id_324825084	469.555	JSRYLHGWGFAQDC-QJOMJCCJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148077
CCOc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1O	EMOLS-id_324831477	469.555	LERFHKGYBQQORZ-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148078
COc1cc(/C=c/2sc3nc(CCc4ccccc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324840699	469.555	PRXBWYUVFBGSRK-ULJHMMPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148079
COc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324830962	469.555	YJDMAWHBCXPTRC-JLPGSUDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148080
COc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1OC	EMOLS-id_324829430	469.555	NIWSNJJGDOHDGJ-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148081
COc1ccc(OC)c(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1	EMOLS-id_324829942	469.555	BDWAULDAURWLGT-JLPGSUDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148082
n12c(=O)c(=Cc3ccc(c(OC)c3)OCC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-7869448283	469.555	JSRYLHGWGFAQDC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148083
n12c(=O)c(=Cc3ccc(c(OCC)c3)OC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-3129660681	469.555	YLVFBCCOJBVJSQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148084
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CCCOc1ccccc1	MCULE-3499749027	469.555	GBPWJOGCQXZMKK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148085
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1ccc(cc1)CC	MCULE-6675447804	469.555	SGHJKEWYKGULMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148086
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1cc(C)ccc1C	MCULE-1839439867	469.555	YZXFLNBDFSLICE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148087
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1cccc(C)c1C	MCULE-2915434837	469.555	NBQFTQZMUKOHHV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148088
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1c(C)cccc1C	MCULE-8539681504	469.555	WACQXIVYVLGVHI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148089
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1cccc(CC)c1	MCULE-3444755670	469.555	LQIJSGFBZKJSLR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148090
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3643292591	469.555	NIWSNJJGDOHDGJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148091
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-8357735150	469.555	YJDMAWHBCXPTRC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148092
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-6921059057	469.555	AYCUPOMKJCIMKH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148093
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-7912131062	469.555	LERFHKGYBQQORZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148094
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)CCc1ccccc1	MCULE-2702426622	469.555	PRXBWYUVFBGSRK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148095
n12nc(nc1sc(=Cc1cc(OC)ccc1OC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-7511052663	469.555	BDWAULDAURWLGT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148096
O=c1n2nc(CCCOc3ccccc3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324850426	469.555	GBPWJOGCQXZMKK-MOHJPFBDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148097
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_16947581	469.555	RSNHQOJWFWVPBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148098
c1(nc(CC)cc(=O)n1CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)n1c(C)cc(C)n1	MCULE-1150839100,ZINC22_8768947,EMOLS-id_5697109,CoCoCo_5087290,PC-id_16896672,ChEMBL-DNDi_CHEMBL2093446	469.557	QPVXFIYLQXCGFE-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-148099
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccc(cc2)C)c(cc1)C	PC-id_24414322	469.576	KMAHOCQGKSULBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148118
c1(nc(C)c(c(=O)n1CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C)n1c(C)cc(C)n1	MCULE-1274215268,EMOLS-id_30611484,PC-id_44827520	469.557	VEPXREVHQAEOMU-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-148100
CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)NCc3nnc4n3CCC4)c2)cc1	ZINC22_32889099,MCULE-3151381910,PC-id_40124236,CoCoCo_4560464,EMOLS-id_25009747	469.557	QENJGXUDQIFZEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148101
s1c2c(CCC2)c(c1NC(=O)CSc1nc([O-])c(nn1)Cc1ccccc1)C(=O)OCC	PC-id_27331078	469.557	YJUOUZCHEUDMBV-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-148102
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)C1CN(C(=O)C1)c1ccccc1	PC-id_44053195	469.557	KWPNDXDJHNNZLX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148103
CCCCC1=C(CCNC1)/C(=C(/C(P)(F)F)C)/CNC(=O)Nc1sc2c(c1C)CCC2	PC-id_138564996,SCHEMBL20922582	469.571	FQEGJAAHICWGHE-XDJHFCHBSA-N	00000010100011000000000010000000000000000000000000000000	25-01-148104
CCC(c1cc(n[nH]c1=O)c1ccc(c(c1F)NC(=O)c1sc2c(c1)C(C(C2)(C)C)O)C)C	PC-id_143997097	469.572	HHWWUOTZZOQISF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148105
s1c2CCCc2cc1C(=O)OC(C(=O)Nc1sc(cc1C(=O)OCC)c1ccccc1)C	PC-id_3972849	469.573	ZAGNLAJSVHWPRN-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-148106
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)c1ccccc1)C	PC-id_5028604	469.573	ITMZRYFKNOIAOM-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-148107
c1(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NC	EMOLS-id_28208550,ZINC22_20604812,CoCoCo_5058649,PC-id_29090953,MCULE-6270711588,ChEMBL-DNDi_CHEMBLF1830-0093	469.576	YOVGKBDKBIZGKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148108
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331789751,MCULE-4052172940	469.576	NYPLCPBPJZAJSR-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-148109
CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)N	GD-id_ZINC08965787,MCULE-8463164980,CoCoCo_3218643,EMOLS-id_11751518,PC-id_16319520,ZINC22_8965787	469.576	KXDLTHHCTXJBJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148110
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(C)Sc1nc(cc(=O)[nH]1)c1ccccc1	PC-id_136630442	469.576	OTPQFXONDUGQOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148111
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)c2ccccc2)sc2CCCc12	CoCoCo_5058652,GD-id_ZINC16916869,MCULE-9798326478,ZINC22_16916869,PC-id_43947623,EMOLS-id_22708556	469.576	XPSIHLSKXIDGOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148112
O=C(c1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)C)C)NNC(=O)c1sc2c(c1)CCC2	PC-id_24634814,EMOLS-id_43876291,CoCoCo_3440014,MCULE-6021830769	469.576	KOMPPJXONOQIAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148113
s1c2CCCc2cc1C(=O)NNC(=O)c1c(ccc(S(=O)(=O)Nc2ccc(cc2)C)c1)C	PC-id_24634813	469.576	HQIUZYHOTOCWNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148114
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2c(ccc(c2)C)C)cc1	PC-id_24634812	469.576	XWNPLZJGPLYWGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148115
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cc(c(cc2)C)C)cc1	PC-id_26872869	469.576	VANKDRIZFQPHQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148116
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(NS(=O)(=O)c2c(ccc(c2)C)C)ccc1	PC-id_27684627	469.576	ITRKAQZUOQPVAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148117
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)c(cc1)C	PC-id_24540840	469.576	BUSXOUVKSQGMOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148119
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(SC)ccc1	PC-id_16948106	469.576	YHRQRJOBKFSBMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148120
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(SC)cccc1	PC-id_16948050	469.576	JEOJEAUYBIJXTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148121
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CC)sc2CCCc2c1C#N	MCULE-7111322214,EMOLS-id_331788468	469.58	JUCWXNXKKAYMQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148122
c1(NC(=O)CSc2ccncc2)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	CoCoCo_5277788,PC-id_44053507,EMOLS-id_28197482,MCULE-9991467767,ZINC22_35596868	469.58	DBPMGBWOFBVGRD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-148123
c1(NC(=O)CSc2nnc(c3ccncc3)n2CC=C)sc2c(CCC2)c1C(=O)OCC	ZINC22_6599697,MCULE-8942267669,PC-id_3178048,ASN-03796074,EMOLS-id_5065719,SCHEMBL8289651	469.58	JCGURPZQBHKMBG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-148124
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccccc1OC	CoCoCo_3055113,PC-id_2482281,ZINC22_3364579,MCULE-8983710322,EMOLS-id_3289200	469.58	VCYNRPIIGBYLRM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148125
COCCCN1C[C@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	PC-id_66740247,SCHEMBL602242	469.58	XFFTWBNNXJNZQG-IRXDYDNUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148126
COCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)C[C@H]1C	PC-id_66739740,SCHEMBL600579,CHEMBL4563673	469.58	XFFTWBNNXJNZQG-SJORKVTESA-N	00000010100010101001000010000000000000000000000000000000	25-01-148127
OCC[C@@H]1CN([C@H](CN1CCC)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL596953,BindingDB_PC-id_66738800,PC-id_66738800	469.58	SYMKCZOALSNIBQ-DLBZAZTESA-N	00000010100010101001000010000000000000000000000000000000	25-01-148128
OCC[C@@H](N1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_59508212,BindingDB_PC-id_59508212,SCHEMBL598332	469.58	NXQFZHVKEUCLPY-BBWFWOEESA-N	00000010100010101001000010000000000000000000000000000000	25-01-148129
OCC[C@H](N1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	SCHEMBL598594,BindingDB_PC-id_59508214,PC-id_59508214	469.58	NXQFZHVKEUCLPY-ZACQAIPSSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148130
OC[C@H](CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	SCHEMBL597612,PC-id_66738966	469.58	OBGPCTGOQLFBAQ-BBWFWOEESA-N	00000010100010101001000010000000000000000000000000000000	25-01-148131
OC[C@@H](CN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	SCHEMBL598188,PC-id_66739113	469.58	OBGPCTGOQLFBAQ-ZACQAIPSSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148132
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)c1cccnc1)CC=C)C(=O)OC	PC-id_17047397	469.58	WHJMAMZUGMLNBL-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-148133
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)CC=C)C(=O)OCC	PC-id_20126870	469.58	YDEFTCLYDCFACI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-148134
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)CC=C)C(=O)OCC	PC-id_20127102	469.58	HSTCEDPGRAKZHA-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-148135
Cc1nc2scc(C)n2c1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324824057	469.581	HERUYVJDUUFLQJ-MOSHPQCFSA-N	00000000100000110001000110000000000000000000000000000000	25-01-148136
n12c(=O)c(=Cc3c(C)nc4scc(C)n34)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-6691478687	469.581	HERUYVJDUUFLQJ-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-148137
c1(c2CCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_2923404,ZINC22_16193135,EMOLS-id_2185842,CoCoCo_867966,MCULE-9598571289	469.596	WGTRTMBIUFQCHN-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-148138
c1(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388247,MCULE-7844612255	469.596	FXKABXGPDSTOFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148139
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2	EMOLS-id_3507438,ZINC22_34886436,MCULE-4536644790,CoCoCo_3574114,PC-id_16254804	469.598	BZHIECLRNFSABS-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-148140
c1(NC(=O)COc2cccnc2NC(=O)NC(C)(C)CC(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321873530,MCULE-4119319948	469.6	JUBPXIVSEFUCTG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148141
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331928344,MCULE-2161572853	469.6	ZSOVQVPTHSYYDD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148142
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CC)sc2CCCc2c1C#N	EMOLS-id_331924759,MCULE-9548419083	469.6	AHKGDJQNRIXBHL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148143
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCC)sc2CCCc2c1C#N	EMOLS-id_331921426,MCULE-8024238660	469.6	IULDCCMPDUITJA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148144
Cc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	CoCoCo_4245385,CoCoCo_4245386,ZINC22_23376963,PC-id_31050731	469.6	MHUFUCXPQJLKSL-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148145
Cc1ccc(NC(=O)CN2CCN([C@@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	ZINC22_23376965,PC-id_31050734,CoCoCo_4245383,CoCoCo_4245384	469.6	MHUFUCXPQJLKSL-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148146
O=C(c1n[nH]c2c1CC(C2)(C)C)Nc1cnn(c1)C(c1ccccc1)C1CCS(CC1)(O)O	PC-id_122669348,SCHEMBL18204970	469.6	WWSMWZCIBFBQSX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148147
O=C(Nc1ccc(cc1)C)CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_18852393,MCULE-3993743879,PC-id_45353884	469.6	MHUFUCXPQJLKSL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148148
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)CC(=O)NCc1ccccc1)C)C(=O)N	PC-id_43039810	469.6	WJQXBBFXORQCGE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148149
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(CSc2scc(n2)C)cccc1)C#N	PC-id_16513090	469.6	ZWFGZSNFYSBWFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148150
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(SCc2nc(sc2)C)cccc1)C#N	PC-id_16607082	469.6	DBWKHLGHBXUMOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148151
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25983705,ZINC22_14186325,CoCoCo_4186036	469.601	OFAFXUQOFJXBAS-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148152
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_14186323,PC-id_25983703,CoCoCo_4186035	469.601	OFAFXUQOFJXBAS-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-148153
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnc(n1C)CC1CCS(=O)(=O)C1	PC-id_17567442,MCULE-1904654606,EMOLS-id_13529528,SCHEMBL21045537	469.601	OFAFXUQOFJXBAS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148154
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)NCCCOCC)nc(sc1c1ccccc1)C	MCULE-8666238852,PC-id_43854761	469.619	NYOQWBPTSNODNP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148155
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)[C@H](C)Cc1ccccc1	PC-id_134170924,SCHEMBL19772097	469.619	QTZFZTGLZYRUJH-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148156
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)[C@@H](C)Cc1ccccc1	SCHEMBL19772202,PC-id_134171022	469.619	QTZFZTGLZYRUJH-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148157
O=C(Nc1sc2c(n1)C(N(C2)Cc1ccc(cc1)C)(C)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368061	469.619	CKDLRUKCIAVQPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148158
c1(NC(=O)COc2cn(c(cc2=O)C)CCCCCCCCCC)sc2CCCc2c1C#N	EMOLS-id_331630788,MCULE-2142156202	469.639	LBGBTPRFBBCTRX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148159
CC1(c2c(CN1C(=O)Nc1ccccc1C1CC1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348595,PC-id_135195463	469.643	JLYJAOBBWDHQNF-UHFFFAOYSA-N	00101010100000110001100010000000000000000000000000000000	25-01-148160
s1c2CCCc2c(c1NC(=O)CSc1n(CC)c(nn1)CSc1ccc(cc1)C)C#N	PC-id_21013448	469.646	NKYXOAAWIKDHDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148161
CCOc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882943	469.652	DYHNNTNXWSIXPY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148162
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817072	469.652	DCQIZXJIOUNBFM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148163
OCCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C	PC-id_140817053	469.652	AAVZWIGEPAKRBO-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-148164
OCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C	PC-id_140301088	469.652	AAVZWIGEPAKRBO-GOSISDBHSA-N	00100010100000110001000010000000000000000000000000000000	25-01-148165
OC[C@@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630843	469.652	DCQIZXJIOUNBFM-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148166
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630858	469.652	DCQIZXJIOUNBFM-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148167
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)NCC(c1ccccc1)O	PC-id_140817031	469.652	QIXXSXSDXUHFDJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148168
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)NC[C@@H](c1ccccc1)O	PC-id_141630841	469.652	QIXXSXSDXUHFDJ-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148169
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)NC[C@H](c1ccccc1)O	PC-id_141630847	469.652	QIXXSXSDXUHFDJ-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148170
CCCCCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccccc1)SC	PC-id_20235076,SCHEMBL10812795	469.679	RMVHLJYMXCNIAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148171
O=C(c1sc(c2c1CCC2)C(=O)O)C=C(C(F)(F)F)c1cc(Cl)c(c(c1)Cl)Cl	PC-id_140659778	469.689	JEXPVDRKIOEVJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148172
c1cc(c(c(c1)[N+](=O)[O-])Cl)C(=O)C(c1c(n2C(=N)N=Nc2n1)O)c1c(n2C(=N)N=Nc2n1)O	PC-id_135455541	469.758	AKNDMKFVZHGSCM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-148173
Nc1nnc2n1C(=O)C(=N2)C(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1=Nc2nnc(N)n2C1=O	LI_204875,CoCoCo_5669590,NSC614440,SPECS-id_AT-225/NB50913,ZINC22_8655120,PC-id_356889	469.758	QDSGXJWFWUJLDI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-148174
c1(NC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343328,MCULE-3189230578	469.769	SJOQVVJKOATDOB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-148175
Cc1nn(Cn2ccc(C(=O)NCCCn3nc4c(c3C(F)(F)F)CCC4)n2)c(C)c1Cl	PC-id_19614099,MCULE-6184492088,ZINC22_36614320,TIMTEC271588,EMOLS-id_8868212	469.891	KSMSCSDKEGMLNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148176
CCC(C(=O)Nc1nn(Cc2cnn(CC)c2)cc1Cl)n1nc(c2CCCc12)C(F)(F)F	TIMTEC559453,MCULE-6897958294,EMOLS-id_8867711,PC-id_19591100	469.891	XVYCTRCLUNVMSV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148177
CC[C@H](C(=O)Nc1nn(Cc2cnn(CC)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092534,ZINC22_20607645	469.891	XVYCTRCLUNVMSV-OAHLLOKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148178
CC[C@@H](C(=O)Nc1nn(Cc2cnn(CC)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607644,PC-id_29092533	469.891	XVYCTRCLUNVMSV-HNNXBMFYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148179
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(nn2)Cl)sc2c(CCC2)c1C#N	MCULE-9556375414,EMOLS-id_321906416	469.904	OSAFSELUHKLSFU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148180
N#Cc1c(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2c1CCC2	PC-id_27214693,EMOLS-id_24024475,CoCoCo_3579888,CoCoCo_3579889,ZINC22_16584831,MCULE-7015197374	469.911	YMFHVXPJDFMWKN-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-148181
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2F)Cl)sc2c(CCC2)c1C#N	MCULE-9195461255,EMOLS-id_323160265	469.916	YTSCOMXXUHILPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148182
N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(F)cc2Cl)sc2c1CCC2	CHEMBL328961,BindingDB_PC-id_44324234,PC-id_44324234	469.937	DHVCPOCKFALNNQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148183
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6363396208,EMOLS-id_334330540	469.941	FLXXOZKBQCYTJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148184
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334334114,MCULE-4777915413	469.941	OHJOZLJOHFQJHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148185
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_2190033,TIMTEC230807,ZINC22_2832509,CoCoCo_5891436,EMOLS-id_2456123,MCULE-4948203473	469.941	IZKZFRJKHCAGOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148186
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3625523500,EMOLS-id_334327980	469.941	FRAXZTAYLKRYHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148187
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334332065,MCULE-6198459292	469.941	VCMDZZISCVJCTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148188
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(cc2)C(=O)OCC)cc1	PC-id_16947419	469.941	OEGBOJQXLQUMIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148189
Clc1c(C(=O)c2c3CN(Cc3sc2NC(=O)CN)C(=O)OCc2ccccc2)cccc1	SCHEMBL7516958,PC-id_18995684	469.941	FVLUDTVPEPRIFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148190
Clc1c(C(=O)c2c3CN(C(NC(=O)CN)c3sc2)C(=O)OCc2ccccc2)cccc1	SCHEMBL7516966,PC-id_21624538	469.941	IDKDPJGYFVXPAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148191
Clc1ccc(cc1)CCS(=O)(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5544008,PC-id_69481697	469.942	GKBMHFAFBQVZLJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148192
Clc1ccc(cc1)CCS(=O)(=O)N1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL5546063,PC-id_69482307	469.942	GKBMHFAFBQVZLJ-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-148193
c1(c2CCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_6723792,PC-id_4436915,ZINC22_15946671,MCULE-5816868827,EMOLS-id_2785182,TIMTEC552234	469.984	XNSNGXDYZNDJPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148194
c1(NC(=O)C(C)Oc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884003,MCULE-1288757840	469.984	ACCHMNCQOBUXMF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148195
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-1732369506,PC-id_18884010	469.984	BGPGKFFDFHDRSR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148196
CC[C@@H]1N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)C(=O)OC	SCHEMBL18367990	469.984	SYUMHGIWJQPBSS-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-148197
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cc1ccc(cc1)C(=O)O	SCHEMBL18367992	469.984	DPHMRQAFOYSGQG-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148198
Clc1sc(c2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_4290216	469.985	XRDUYRPULHRZAV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-148199
Cc1nn2C(=O)C(Sc2n1)[C@@H](c1cc(ccc1)OC)N1CCN(CC1)c1cc(ccc1)Cl	PC-id_134716005	469.987	VULRJLLXBYFOJF-VQCQRNETSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148200
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278643	470.019	DEXSSQMFPJMWRC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148201
CCCCCCCCN1C(=O)c2c(C1=O)c([se]c2Br)Br	PC-id_102293953	470.058	OYGPTARTMMOCOS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148202
C[C@H](C(=O)O)N1CC2=C(S1(=O)=O)C=C(S2)NC(=O)C3=CC=CC(=C3)C(=O)C4=CC=CC=C4	PC-id_163999882	470.061	UIANYUKZKNZKHK-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148203
CC(C(F)(F)F)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N)Cl	PC-id_155038139	470.077	CPXTXPBIIWPHHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148204
C[C@H](C(F)(F)F)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N)Cl	PC-id_154663317	470.077	CPXTXPBIIWPHHD-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148205
C[C@@H](C(F)(F)F)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N)Cl	PC-id_154663332	470.077	CPXTXPBIIWPHHD-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-148206
C1C2=CN(N=C2CN1C(=O)C(CO)C3=C(C=CC=N3)F)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931986	470.098	OMAKONUPJQFAEU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148207
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=C(C=CC=N3)F)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931983	470.098	OMAKONUPJQFAEU-CYBMUJFWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148208
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=C(C=CC=N3)F)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931987	470.098	OMAKONUPJQFAEU-ZDUSSCGKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148209
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=C(C=CC=N3)F)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931944	470.098	LOVLANCOZGCCAN-LBPRGKRZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148210
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=C(C=CC=N3)F)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931951	470.098	LOVLANCOZGCCAN-GFCCVEGCSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148211
COC(C1=C(C=CC=N1)F)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164872158	470.098	PVKFGZFCXKFKLX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148212
CC1(C2=C(CN1C(=O)[O-])C(=NN2C(=O)[O-])NC3CCCN(C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C	PC-id_154408280	470.156	OLQPRDZBINNZIR-UHFFFAOYSA-L	00000010100010110001000010000000000000000000000000000000	25-01-148213
BrC1=C(Br)C(=O)C(=C/C/1=C/Nc1sc2CCCc2c1C#N)OCC	PC-id_50883560	470.178	XJNSEKUHXDYIKH-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-148214
BrC1=C(Br)C(=O)C(=CC1=CNc1sc2CCCc2c1C#N)OCC	PC-id_75573137	470.178	XJNSEKUHXDYIKH-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-148215
Brc1c(OCC(=O)Nc2sc3CCCc3c2C#N)c(cc(Br)c1)C	PC-id_4511853	470.178	XXDUTQNJKDKNSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148216
CCOc1c(c(c(c(c1)C=Nc1c(c2c(s1)CCC2)C#N)Br)Br)O	PC-id_136071009	470.178	JJLQKJTZXQTIBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148217
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNN(N1)C)C(=O)Nc1cc(c(cc1)F)F	PC-id_164015781	470.188	UVCNMUKSMQEXPB-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-148218
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(C4)C5=CC=CC=C5Cl	PC-id_152438609	470.208	XQYZIDPIPZPWIT-JWTNVVGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148219
Ic1cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_4457583	470.281	DZWUTZOXEUTTRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148220
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2I)sc2c1CCC2	PC-id_2397658,CoCoCo_2911701,ZINC22_3282141,EMOLS-id_3157556,MCULE-5326945279	470.281	UYFOJFXCFPEOML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148221
NC(=O)c1c(NC(=O)COC(=O)c2ccc(I)cc2)sc2c1CCC2	EMOLS-id_3157424,ZINC22_9561983,CoCoCo_3043013,MCULE-8966987895,PC-id_3895958	470.281	XRNNEIFBDFLRJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148222
Fc1ccc(c(c1)F)[C@]([C@H](N1Cc2c(C1=O)nc(s2)Br)C)(Cn1cncn1)O	PC-id_141459145	470.291	KFLGDIFLUBEJKU-VVVCHXIZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148223
Fc1ccc(c(c1)F)[C@]([C@H](N1Cc2c(C1=O)sc(n2)Br)C)(Cn1cncn1)O	PC-id_141459156	470.291	MYJAWXCKNOBKPW-VVVCHXIZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148224
Clc1cc(CC2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc(Cl)c1	PC-id_69635308	470.307	VTMNTVMTDSGAFY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148225
Clc1cc(C[C@@H]2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc(Cl)c1	PC-id_69635316	470.307	VTMNTVMTDSGAFY-FUKCDUGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148226
Clc1cc(COC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc(Cl)c1	PC-id_77712959	470.307	KRGJOIFDJVJWRV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148227
Clc1cc(COC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc(Cl)c1	SCHEMBL6010764,PC-id_69635302	470.307	KRGJOIFDJVJWRV-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-148228
Clc1cc(OCC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)ccc1Cl	SCHEMBL5534983,PC-id_69479186	470.307	YTVMOBKNTQGADE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148229
Clc1cc(OCC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)ccc1Cl	SCHEMBL5540651,PC-id_69480884	470.307	YTVMOBKNTQGADE-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-148230
Brc1cc(F)c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_27981860	470.309	MQYDVPSDTRCBHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148231
CCCCN(CC)c1cnc(c(n1)NC(=O)CC)NNc1c2N=NC(n2nc1C(C)(C)C)(C)C	PC-id_164123978	470.323	GCUWJFXIKKFIQS-UHFFFAOYSA-N	00000011100000100001000010000000000000000000000000000000	25-01-148232
Clc1c(C(=O)NCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(Cl)c1	PC-id_42965185	470.326	ASPDHPXHXMYJJW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148233
Ic1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cccc1	PC-id_44052891	470.328	JGJDZBBHGZNMIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148234
n12nc(nc1sc(=Cc1ccc(c3c(cccc3Cl)Cl)o1)c2=O)COc1ccccc1	MCULE-3920742249	470.328	GYWSJILHUDHXTB-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-148235
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3Cl)o1)c2=O)COc1ccccc1	MCULE-6936155891	470.328	DFHVKLHTTQPNMR-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-148236
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)cc(Cl)c3)o1)c2=O)COc1ccccc1	MCULE-1146380616	470.328	DKJJWOMUXOYJJO-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-148237
c1(NC(=O)c2cc(OC)c(c(OC)c2Br)OC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2491330,PC-id_1183900,CoCoCo_532158,ZINC22_944148,MCULE-5709936622	470.334	GICGIFFMMGVQKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148238
COC(c1c(NC(=O)COc2cccc(c2)Br)sc2c1C(CC2)C(=O)OC)O	PC-id_143287490	470.334	HRHIQMDVXDHLNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148239
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324918287	470.339	PMMALLLMAXPFKY-HQFFKOPYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148240
COc1ccc(/C=C/c2nc3s/c(=Cc4cccc(Br)c4)/c(=O)n3n2)cc1OC	ZINC22_16742149,EMOLS-id_45965713	470.339	KBSZTKMIGVTJLO-FHZYVREQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148241
n12nc(nc1sc(=Cc1cc(Br)ccc1OC)c2=O)C=Cc1ccc(cc1)OC	MCULE-4748888151	470.339	QVFFJHYTAIJJLC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148242
n12nc(nc1sc(=Cc1cccc(Br)c1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-7278095167	470.339	KBSZTKMIGVTJLO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148243
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-5782270216	470.339	YBUHVBKSXSTUMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148244
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6200020641	470.339	PHYRABFTPDOPJU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148245
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)C=Cc1ccc(cc1)C	MCULE-9495746046	470.339	PMMALLLMAXPFKY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148246
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)/C=C/c4ccccc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24946954,SCHEMBL3485045	470.351	ZQMZIJWOBOPUST-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148247
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)C=Cc4ccccc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL3485048,PC-id_68660903	470.351	ZQMZIJWOBOPUST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148248
Cc1ccc(C(=O)c2c(NC(=O)OCc3ccccc3)sc3CCCc23)c(Br)c1	EMOLS-id_331225201	470.379	OXHDFLHDCMMFPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148249
Brc1cc(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)cc1)C	PC-id_16947602	470.382	XBLDTUHTOPQZAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148250
Brc1c(cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(cc2)C)cc1)C	PC-id_16947607	470.382	STUHEKMDMSVCAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148251
c1(NC(=O)CS(=O)C(C)C(=O)Nc2cc(cc(Cl)c2)Cl)sc2c(CCC2)c1C#N	MCULE-4414454904,EMOLS-id_320713553	470.393	QRJIPJVXUCSSSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148252
c1(NC(=O)CS(=O)C(C)C(=O)Nc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C#N	EMOLS-id_320637914,MCULE-3913847050	470.393	HVJNXAKRRFGRNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148253
Clc1cc(NC(=O)C[NH+](C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)ccc1Cl	PC-id_74635749	470.393	ZFZWRZIZOWTKMT-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-148254
Clc1cc(NC(=O)C[NH+]([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)ccc1Cl	GD-id_ZINC26486568,PC-id_33761700	470.393	ZFZWRZIZOWTKMT-JTQLQIEISA-O	00000010100000110000000010000000000000000000000000000000	25-01-148255
Clc1cc(NC(=O)C[NH+]([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)ccc1Cl	PC-id_33761691,GD-id_ZINC26486561	470.393	ZFZWRZIZOWTKMT-SNVBAGLBSA-O	00000010100000110000000010000000000000000000000000000000	25-01-148256
FC(F)(F)c1ccc(OC2CCN(CC2)C(=O)OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL5547867,PC-id_69482992	470.399	KVQHLFDUADQZDX-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148257
FC(F)(F)c1ccc(OC2CCN(CC2)C(=O)OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL5547870,PC-id_69482993	470.399	KVQHLFDUADQZDX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148258
Brc1c(cc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_30896165	470.404	PZVJJSNHEOQJAB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148259
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-3823932512,PC-id_18848913	470.409	UUWQMDNTVOWRGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148260
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_18848831,MCULE-4685662577	470.409	NCBBHWGOBYUJQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148261
CCC[C@H]1n2c(Br)c(cc2[C@@]([C@@H]1CO)(O)C(Cl)(Cl)Cl)Br	PC-id_102046440	470.412	OOHPSTYDCUDIMA-AZTOOPQRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148262
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(COC1)c1c[nH]nn1	PC-id_139434877,SCHEMBL21296714,BindingDB-id_980739	470.429	ASWHMPIGHSARLT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-148263
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1ccc(c(Cl)c1)Cl	GD-id_ZINC02856926,EMOLS-id_2243057,ZINC22_2856926,MCULE-4007207124,TIMTEC180203,PC-id_2210181,CoCoCo_998757	470.436	GUUYAELTVBTVLG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148264
CC(C)C(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	BindingDB-id_435281,BindingDB_PC-id_118483490,PC-id_118483490,SCHEMBL17223011	470.436	HKZWDDGISFFTQJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148265
O=CC(CN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F)C	SCHEMBL17223013,PC-id_118483492	470.436	CVPMZSRWBPFHSY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148266
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(F)c(F)c2)sc2c(CCC2)c1C#N	EMOLS-id_321770494,MCULE-7839485681	470.449	YKFGDYKZTUHAOK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148267
c1(NC(=O)c2cc(cc(c2C)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9696525542,EMOLS-id_334343841	470.455	JLGQFPSNWPTDAI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-148268
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334343588,MCULE-3541527678	470.455	XFEOIBJLHGADKT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-148269
CCOc1ccc(OCc2nc3s/c(=Cc4cc(OC)c(O)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324878344	470.455	VYPPRLVCFJGBMY-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148270
COc1ccc(Cc2nc3s/c(=Cc4cc(OC)c(O)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324925453	470.455	CPDRDDZSZMIISF-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148271
n12nc(nc1sc(=Cc1cc(OC)c(c(N(=O)=O)c1)O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-7957811697	470.455	CPDRDDZSZMIISF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148272
n12nc(nc1sc(=Cc1cc(OC)c(c(N(=O)=O)c1)O)c2=O)COc1ccc(cc1)OCC	MCULE-1355809388	470.455	VYPPRLVCFJGBMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148273
c1(C(=O)OCC)c2C(CCc2sc1NC(=O)Nc1cccc(c1)C(F)(F)F)C(=O)OCC	EMOLS-id_7644242,MCULE-5880645322,PC-id_3631991,SPECS-id_AO-476/40910093	470.462	YPNAGIRRTNSBSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148274
CCOC(=O)c1c(NC(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](C(=O)OCC)CC2	PC-id_990308,ZINC22_642451,CoCoCo_6961533	470.462	YPNAGIRRTNSBSO-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148275
CCOC(=O)c1c(NC(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@@H](C(=O)OCC)CC2	ZINC22_642452,CoCoCo_6961532,PC-id_990309	470.462	YPNAGIRRTNSBSO-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148276
CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1sc2c(c1C(=O)OC)CCC2)C(F)(F)F	PC-id_1716594,ZINC22_2050169,CoCoCo_6890170	470.462	FCZCUFIEEAUKIE-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148277
CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1sc2c(c1C(=O)OC)CCC2)C(F)(F)F	ZINC22_2050168,PC-id_1716593,CoCoCo_6890171	470.462	FCZCUFIEEAUKIE-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148278
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1sc2CCCc2c1C(=O)OC)C(F)(F)F	PC-id_3399313,MCULE-7191289694,SPECS-id_AG-389/14853011,EMOLS-id_8219328	470.462	FCZCUFIEEAUKIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148279
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNNN1)C(=O)Nc1cccc(c1)C(F)F	PC-id_134302898,SCHEMBL19920614	470.472	SQEXSOYBYLJIND-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-148280
CC(C)(C)CN1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	BindingDB-id_435297,BindingDB_PC-id_118483517,PC-id_118483517,SCHEMBL17223039	470.479	FFWLYIPCGDWQBE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148281
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C)N[C@H](c1ccc(cc1)C(=O)C)C	SCHEMBL18758523	470.487	OZLKMTZFJCOFCX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148282
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(C(=O)NC(c1ccc(F)cc1)C)C	PC-id_42981730	470.513	IDCDODXDYLEZGQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-148301
Cc1cc(cc(Nc2n[nH]c3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)n1)C(F)(F)F	SCHEMBL12560603,BindingDB-id_218916,BindingDB_PC-id_68317327,PC-id_68317327	470.49	VWDJSAGLACHSEA-PYUWXLGESA-N	00100010100000111001100010000000000000000000000000000000	25-01-148283
FC(F)(F)c1cc(Nc2n[nH]c3C(N(C(=O)NC4C(C4)c4ccccc4)Cc23)(C)C)nc(c1)C	PC-id_70673089,SCHEMBL12144844	470.49	VWDJSAGLACHSEA-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-148284
FC(F)(F)c1cc(Nc2n[nH]c3C(N(C(=O)N[C@@H]4C(C4)c4ccccc4)Cc23)(C)C)nc(c1)C	SCHEMBL12143765,PC-id_59474223	470.49	VWDJSAGLACHSEA-DAFXYXGESA-N	00100010100000111001100010000000000000000000000000000000	25-01-148285
FC(F)(F)c1cc(Nc2n[nH]c3C(N(C(=O)N[C@H]4[C@@H](C4)c4ccccc4)Cc23)(C)C)nc(c1)C	PC-id_67008241,SCHEMBL1369131	470.49	VWDJSAGLACHSEA-FUHWJXTLSA-N	00100010100000111001100010000000000000000000000000000000	25-01-148286
FC(F)(F)c1cc(Nc2n[nH]c3C(N(C(=O)N[C@@H]4[C@H](C4)c4ccccc4)Cc23)(C)C)nc(c1)C	SCHEMBL15247496,PC-id_11670000	470.49	VWDJSAGLACHSEA-AEFFLSMTSA-N	00100010100000111001100010000000000000000000000000000000	25-01-148287
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NC)ccc1F)C(=O)OC	PC-id_31732002	470.492	JUPLJPMBIAFCJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148288
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)OCC	PC-id_45630530	470.495	CTUMVOZCVPGODV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-148289
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OCC#N)cc1)C(=O)OC	PC-id_45613968	470.495	GPHKYUWBHACLKG-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148290
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OCC#N)cc1)C(=O)OC	PC-id_75121860	470.495	GPHKYUWBHACLKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148291
Fc1cc(c(N2CCC(CC2)CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3n(cnc3C2)C)cc1)C#N	SCHEMBL13542023,PC-id_58751899	470.497	YMSBGNXTQKCDBN-NHCUHLMSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148292
Fc1cc(c(N2CCC(CC2)CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3n(ncc3C2)C)cc1)C#N	SCHEMBL8217550,PC-id_57984962	470.497	ZHZRIEOQICWJQA-NHCUHLMSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148293
Fc1cc(c(N2CCC(CC2)CNC(=O)C(O)C(O)C(=O)N2Cc3n(cnc3C2)C)cc1)C#N	PC-id_72412559	470.497	YMSBGNXTQKCDBN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148294
Fc1cc(c(N2CCC(CC2)CNC(=O)C(O)C(O)C(=O)N2Cc3n(ncc3C2)C)cc1)C#N	PC-id_76696213	470.497	ZHZRIEOQICWJQA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148295
OCCc1nc(c(nc1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(COC)ncc1F	PC-id_142701276	470.5	JIQVMEFRBDAVKW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-148296
OCCc1nc(c(nc1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(OCC)ncc1F	PC-id_142701280	470.5	LJTQCUYNOBNWJA-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-148297
Brc1scc2C(=O)N(C(CCCCCCCC)CCCCCCCC)C(=O)c12	SCHEMBL1498196,PC-id_58261099	470.506	CLVMHDRTOUBQFL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148298
CC(C)S(=O)(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268342,SCHEMBL20695598	470.508	WEMMVLDKEMYNMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148299
CCn1c2c(CN(C2)S(=O)(=O)C)c(n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696133,PC-id_86268147	470.508	YTYFWKWRIMZYCN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148300
S1Cc2c(nn(c2NC(=O)c2cc(OC)cc(OC)c2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053683	470.517	AJAWLSJFDGFRQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148302
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053682	470.517	KBTPXNQUTBJBRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148303
S1Cc2c(nn(c2NC(=O)c2c(OC)cc(OC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053681	470.517	GEDIQGXEIDVEKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148304
S1Cc2c(nn(c2NC(=O)c2c(OC)c(OC)ccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053615	470.517	YYLDNRRWBXJDGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148305
S1Cc2c(nn(c2NC(=O)COc2ccc(F)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053489	470.517	DULRQTSHPCSAHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148306
S1Cc2c(nn(c2NC(=O)COc2ccc(OC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053631	470.517	OGRGMHLZTOYYLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148307
S1Cc2c(nn(c2NC(=O)COc2cc(OC)ccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053630	470.517	XAEKCLBMWYOTJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148308
S1Cc2c(nn(c2NC(=O)COc2c(F)cccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053488	470.517	INXVASFAUMWGLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148309
S1Cc2c(nn(c2NC(=O)COc2c(OC)cccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053629	470.517	UQBAAJVRVLMNFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148310
C[C@@](CCN1Cc2cc(C#CC#CCNS(=O)(=O)C)cn2C1=O)(C(=O)NO)S(=O)(=O)C	PC-id_118368821,SCHEMBL17080549,CHEMBL4452054	470.52	ZMINVWIIEVWCDZ-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148311
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCNCC1	PC-id_24750749,SCHEMBL4291557	470.52	HZLLTWIRRRLLGZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148312
FN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_140141771	470.52	DYQHFMCVRLEMTA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148313
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCNS(=O)(=O)C)C	PC-id_140781556	470.52	ZMINVWIIEVWCDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148314
c1(NC(=O)CSc2nc(c3ccco3)c(c(=O)[nH]2)C#N)sc2c(CCC2)c1C(=O)OCC	ZINC22_9261912,MCULE-9366586701,EMOLS-id_14865314,TIMTEC465792,PC-id_135590202,CoCoCo_6565703	470.521	TVDWGHWYVIESOG-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-148315
s1c2c(CCC2)c(c1NC(=O)CSC1=NC(=O)C(C(=N1)c1occc1)C#N)C(=O)OCC	PC-id_73265505	470.521	FTJBWRSNLKBPBJ-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-148316
O(C(C(=O)n1cc2c(N=NC2=NC(=O)c2ccc(N3CCN(CC3)C)cc2)c1)c1ccccc1)C	PC-id_75310428	470.523	URAXMZZTYSWIMX-UHFFFAOYSA-N	00000011100010110001100010000000000000000000000000000000	25-01-148317
O([C@@H](C(=O)n1cc2c(N=NC2=NC(=O)c2ccc(N3CCN(CC3)C)cc2)c1)c1ccccc1)C	PC-id_49866546	470.523	URAXMZZTYSWIMX-HSZRJFAPSA-N	00000011100010110001100010000000000000000000000000000000	25-01-148318
s1c2c(CCC2)c(c1NC(=O)C[NH+](Cc1cc(c(OCC(F)(F)F)c(c1)C)C)C)C(=O)N	PC-id_52690808	470.528	NCBDRZJJRPVNNP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-148319
CCOC(=O)c1c(NC(=O)C2CN(C(=O)C2)c2ccc(cc2)C(=O)OCC)sc2CCCc12	MCULE-3210789205,EMOLS-id_327818428	470.538	WTZBMJNAYVDAOI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-148320
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CN(C(=O)C1)c1ccc(cc1)C)C(=O)OCC	PC-id_4211442	470.538	ONWNILYWFVDYJS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-148321
CC1(C)N(Cc2c(NC(=O)c3ccccn3)n[nH]c12)C(=O)C1(F)CCN(CC1)C1CCOCC1	BindingDB-id_295370,PC-id_59508131,SCHEMBL598019,BindingDB_PC-id_59508131	470.54	HWKSZPXMOZBKAY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-148322
s1c2CCCc2c(c1N=Cc1oc(c2ccc(cc2)C(=O)OCc2ccccc2)cc1)C(=O)N	PC-id_50885964	470.54	VSXSUAYZWLDIAG-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-148323
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(N)CC1)C	SCHEMBL18730012,PC-id_118368886	470.541	HUFNRDXPWWQBAH-JOCHJYFZSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148324
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(N)CC1)C	SCHEMBL18730014	470.541	HUFNRDXPWWQBAH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148325
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CC	PC-id_73246928	470.541	MWOLJLHISGCZKM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148326
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1c(n(c(c1)C)CCOC)C)/C#N)C(=O)N	PC-id_30691510	470.541	MXZTYXXVPLXEMB-MHWRWJLKSA-N	00000010110000000000000010000000000000000000000000000000	25-01-148327
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1c(n(c(c1)C)CCOC)C)C#N)C(=O)N	PC-id_85475210	470.541	MXZTYXXVPLXEMB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-148328
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053274	470.541	YUAZMDZGXHSSDN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-148329
c1(NC(=O)COc2cccnc2NC(=O)NCCN2CCOCC2)sc2c(CCC2)c1C#N	MCULE-3782240724,EMOLS-id_321875576	470.545	FCROBCCKRBFZQJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148330
CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_20569461	470.561	CZFYGAHEQCVHDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148331
CCOC(=O)c1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)sc2c1CCC2	ZINC22_20571130	470.561	BLBCIHUSJYHVOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148332
COC(=O)c1c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408616883	470.561	CRASROAOLXDEGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148333
COC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_33588045,PC-id_3473111	470.561	GIQYZQOJDQYWQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148334
COC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)sc2c1CCC2	ZINC22_408627902	470.561	RGVXRYGRJPIAFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148335
COC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)sc2c1CCC2	ZINC22_408621405	470.561	RRSCRGNSUWJKAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148336
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408617385	470.561	GIJMGDITEGFJMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148337
O(C1CCN(CC1)c1ccc(OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)CC1CCCCC1	PC-id_5278845	470.561	MDINQKLEYQVCJX-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-148338
O(C1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)CC1CCCCC1	PC-id_78381699	470.561	MDINQKLEYQVCJX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148339
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)C)cc1)C(=O)OC	PC-id_24101527	470.561	DOCVMSSZOHXOQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148340
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1nc(sc1)c1ccccc1)C(=O)OCC	PC-id_30802387	470.561	PNVGHGRWAZQRIO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148341
c12c(CCC1C(=O)OCC)sc(NC(=O)Cc1csc(NC(=O)Cc3ccccc3)n1)n2	EMOLS-id_30763803,PC-id_45497646,MCULE-5082966261	470.564	SELJJXQWTYWTRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148342
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccccc2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6271051,CoCoCo_6601438,PC-id_135844753,EMOLS-id_10085411,CoCoCo_6601439,MCULE-4142624656,ZINC22_16777227,CoCoCo_6271052,CoCoCo_6601437	470.564	YJUOUZCHEUDMBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148343
c1(SCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nc(=O)cc(N)n1c1ccccc1	PC-id_2171453,TIMTEC573642,ZINC22_2785243,EMOLS-id_2418015,MCULE-3492163156,CoCoCo_837426	470.564	YLPCDPMQKGUUHK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148344
CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cc3csc(NC(=O)Cc4ccccc4)n3)nc12	PC-id_51895258,ZINC22_38575674	470.564	SELJJXQWTYWTRA-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148345
CCOC(=O)[C@H]1CCc2sc(NC(=O)Cc3csc(NC(=O)Cc4ccccc4)n3)nc12	ZINC22_38575675,PC-id_51895259	470.564	SELJJXQWTYWTRA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148346
N#Cc1c(NC(=O)COCCOCC(=O)Nc2sc3c(c2C#N)CCC3)sc2c1CCC2	MCULE-8664304778,PC-id_4638385,ZINC22_12311269,EMOLS-id_3015234,CoCoCo_3768039	470.564	AMYVBRPYCGUSJD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148347
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1scc(n1)CC(=O)OCC	PC-id_16947611	470.564	URZPYCLKICAUGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148348
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N)cc1	PC-id_16947165	470.564	DLDOASPJQJGLHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148349
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1OCCN(C1)C)C	PC-id_66941818,SCHEMBL1206438	470.565	TURMNENHJCCSCO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148350
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1OCCN(C1)C)C	PC-id_58015707,SCHEMBL1206435	470.565	TURMNENHJCCSCO-MRTLOADZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148351
Cc1nc2c([nH]1)CN(C2)C(=O)c1cc(ccc1)CN1C(=O)C(N=C1N)(CC(C)C)c1ccccc1	PC-id_135155738,SCHEMBL20304178	470.566	MNISGLGDJGMRGW-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-148352
CCOc1ccccc1OCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	EMOLS-id_335781828,MCULE-2544162101	470.568	XCPCZTSSDODILO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148353
CCOc1ccc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	MCULE-4179735309,EMOLS-id_335784654	470.568	LLDLSOUZOYYQNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148354
COc1ccc(Cc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1OC	MCULE-3650440395,EMOLS-id_335785409	470.568	YWELVDFENVAFBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148355
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cnccn1	PC-id_59508308,SCHEMBL597576	470.568	YUMQMDIOTAKMOV-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-148356
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2cc(NC(=O)C)ccc2)c(nn1)C)C(=O)N	PC-id_46575355	470.568	BTHZQVHMSGQQTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148357
S1Cc2c(nn(c2NC(=O)CSc2ncccn2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053506	470.568	DLXDQSAEFJKKSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148358
Cc1cc(ccc1CNC(=O)c1cnn(c1)C(C)(C)C)c1ncnc(c1)Nc1nn2c(c1)CCC2	SCHEMBL16793965,PC-id_118139331	470.569	XVLAEHBKZUMDNE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148359
c1(c2CCCc2sc1NC(=O)CSCc1ccc(cc1)F)C(=O)Nc1ccc(cc1)OC	CoCoCo_1006935,EMOLS-id_2474810,ZINC22_2860792,PC-id_2213990,MCULE-2933804916	470.579	RKHGJPDNWASMCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148360
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5074319457	470.581	OWLNJAZYUCNWCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148361
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc1OC	EMOLS-id_334333864	470.581	OWLNJAZYUCNWCL-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148362
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(OC)ccc(c1)C	PC-id_45663366	470.581	OBYYKEVRQWQGOJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148363
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(OCC)cccc1	PC-id_41733141	470.581	RRXFFHQWYJUSQJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148364
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_26040950	470.581	VHVBPKIAHVYUHZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148365
c1(NC(=O)C(c2ccccc2)Cc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337708,MCULE-8193523412	470.583	JXWYRZBQEQFZCX-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-148366
CCOC(=O)c1cc(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1	MCULE-1434262646,EMOLS-id_328223095	470.583	HZNOIOFOQCLKQX-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-148367
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccccc1	EMOLS-id_328223607,MCULE-1624002509	470.583	SHZYNKGIQGDORQ-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-148368
COC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc(C)c1c1ccccc1	EMOLS-id_328222584,MCULE-4888737105	470.583	UNLMUAGRMDBEDA-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-148369
S1Cc2c(nn(c2NC(=O)c2c(SCC)cccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053744	470.583	AYRGOMOSGZDINO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148370
S1Cc2c(nn(c2NC(=O)CSCc2ccccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053719	470.583	BKEMXNNHXSTIPJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148371
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1ccc(cc1)C(=O)OCC	MCULE-8946175870,EMOLS-id_1471758,PC-id_2297523,CoCoCo_339710,CoCoCo_339711,ZINC22_19973760	470.584	VBRPYDLPLNONJE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148372
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331921692,MCULE-3037057341	470.584	DGYMBNPVPVGTES-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148373
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331925022,MCULE-8078364318	470.584	BUFAGBUTWGHMGZ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148374
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331927828,MCULE-1649660182	470.584	BXAIAVZSCOJFCJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148375
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCO)sc2CCCc2c1C#N	MCULE-8080144735,EMOLS-id_331927837	470.584	LZPMNIDELWJPNA-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148376
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCOC)sc2CCCc2c1C#N	MCULE-2293602457,EMOLS-id_331923223	470.584	OMMDGTSCDKYWOC-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148377
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CC)sc2CCCc2c1C#N	MCULE-2454074449,EMOLS-id_331924502	470.584	XBYYUFHOWWMCMX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148378
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCC)sc2CCCc2c1C#N	MCULE-9838279348,EMOLS-id_331919892	470.584	QXCSQRIRXWJRBB-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148379
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCO)sc2CCCc2c1C#N	EMOLS-id_331930397,MCULE-1165279170	470.584	IYHLWDXHGVZKBR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148380
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCO)sc2CCCc2c1C#N	EMOLS-id_331931165,MCULE-8346756012	470.584	XWSGQHUHNYPILM-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-148381
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CC)sc2CCCc2c1C#N	MCULE-7964434411,EMOLS-id_331925781	470.584	PTTVNAXEVCPGDO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148382
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCC(C)C)sc2CCCc2c1C#N	MCULE-6290653722,EMOLS-id_331923474	470.584	NJYFYWRJFWPVLY-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-148383
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCCC)sc2CCCc2c1C#N	MCULE-6304154321,EMOLS-id_331927825	470.584	HZUPJWNVSYYPJA-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-148384
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331921684,MCULE-6126217514	470.584	QNICDFPZOBXBHE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148385
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCC)sc2CCCc2c1C#N	MCULE-2546096176,EMOLS-id_331921688	470.584	UOBWMYZCXNVSDB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148386
CCN(S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)CC	PC-id_92109411	470.584	OLVBNNJHMOAGLO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-148387
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C=CC2=O)C)C1)C(=O)NCCCOCC	PC-id_73537589	470.584	WXFYRZLIFHCRRA-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-148388
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC=C2)C)C1)C(=O)NCCCOCC	PC-id_73535742	470.584	BIYMMKUKPQQFFS-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-148389
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C=C(C=C2)C)C1)C(=O)NCCCOCC	PC-id_73537624	470.584	LGGSCXDMGLDRSU-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-148390
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1cc(OCC)c(OCC)cc1)C)C#N	PC-id_24589093	470.584	MMKONTVISLXNLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148391
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)Nc1nccc(c1)C)C(=O)OCC	PC-id_55921520	470.584	KXPPLABMFPURGS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148392
s1c2c(CCC2)c(c1NC(=O)C(N1C(CN(CC1)c1ccc(cc1)C(=O)OC)C)C)C(=O)N	PC-id_56311318	470.584	NCSFHZQRTRNYJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148393
s1nc(SCC(=O)c2ccc(OC)cc2)c2c1CN(C2=S)C(=O)c1ccc(OC)cc1	PC-id_23769386	470.584	VSVFYUNCWLRWHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148394
C[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1c1ccc(F)cc1)N(C)C	CoCoCo_3642903,ZINC22_9793180,PC-id_41215999	470.586	KFUUUCWCAKYTRO-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148395
C[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1c1ccc(F)cc1)N(C)C	ZINC22_9793177,CoCoCo_3642904,PC-id_41215997	470.586	KFUUUCWCAKYTRO-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148396
N#Cc1c(NC(=O)CSc2nnc(n2c2ccc(cc2)F)C(N(C)C)C)sc2c1CCC2	MCULE-3979232806,PC-id_16323767,EMOLS-id_11757722	470.586	KFUUUCWCAKYTRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148397
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1	PC-id_17568773,ZINC22_14200067,CoCoCo_4217906,MCULE-9499777682,EMOLS-id_43980772	470.586	IIBLTMPPSDJRHR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148398
c1(NC(=O)COc2cccnc2NC(=O)NCCCN(CC)CC)sc2c(CCC2)c1C#N	MCULE-5396018197,EMOLS-id_321875065	470.588	YTHPCJBSLLVFDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148399
CCN(CCc1sc2c(c1C)COC2=O)CCNC(=O)C/C(=C/C=C(/n1cnnn1)C)/C=C	PC-id_144372979	470.588	HKFIAOOPVROASR-CWYYMCDWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148400
CC#CCCC(C)C(=O)C=CC1C(Cc2c1cc(o2)CCCCC(=O)OC)OC1CCCCO1	PC-id_88702984	470.598	CCNIBEKUFYJJBD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-148401
CC#CCCC(C(=O)/C=C/[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)C	SCHEMBL10987071,PC-id_70486957	470.598	CCNIBEKUFYJJBD-YOXUCHIFSA-N	00000010100010000000000010000000000000000000000000000000	25-01-148402
CC#CCCC(C(=O)C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)C	SCHEMBL10987081,PC-id_57003741	470.598	CCNIBEKUFYJJBD-VHGBTZRWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-148403
CC#CCC[C@@H](C(=O)C=C[C@H]1[C@H](OC2CCCCO2)Cc2c1cc(o2)CCCCC(=O)OC)C	SCHEMBL10987079,PC-id_70486961	470.598	CCNIBEKUFYJJBD-DFLNDDCTSA-N	00000010100010000000000010000000000000000000000000000000	25-01-148404
c1(NC(=O)C2=C(SCCO2)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9483542344,PC-id_42650274,STOCK6S-62883,TIMTEC418944,EMOLS-id_17660472	470.604	RAYDDKUFWBZWSF-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148405
COCC(Oc1cc(Oc2ccc(cc2)SC)cc(c1)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_145120684	470.604	UHOZDXMOAGGOAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148406
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)C1=C(c2ccccc2)SCCO1	CoCoCo_6644651,PC-id_42571697,ZINC22_12391950	470.604	RAYDDKUFWBZWSF-INIZCTEOSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148407
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)C1=C(c2ccccc2)SCCO1	ZINC22_12391951,CoCoCo_6644652,PC-id_42571698	470.604	RAYDDKUFWBZWSF-MRXNPFEDSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148408
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_27003111	470.604	WGTRTMBIUFQCHN-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-148409
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1sccc1	PC-id_40957160	470.606	BZHIECLRNFSABS-UHFFFAOYSA-O	00000010100110000001000010000000000000000000000000000000	25-01-148410
CCCCc1ccc(n2cnnc2SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1	EMOLS-id_48975967,ZINC22_3227374,PC-id_2345566,CoCoCo_3757252,MCULE-3587691713	470.608	LDYASYYIXAQMJU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148411
OC1CCC(CC1)Nc1nc(Nc2nc3c(s2)CCC3)cc(c1)S(=O)(=O)c1ccccc1	PC-id_118641964	470.608	INNSLBHBVYBAQX-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-148412
O[C@@H]1CC[C@H](CC1)Nc1nc(Nc2nc3c(s2)CCC3)cc(c1)S(=O)(=O)c1ccccc1	SCHEMBL17413420	470.608	INNSLBHBVYBAQX-WKILWMFISA-N	00000010100010111001000010000000000000000000000000000000	25-01-148413
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)Nc1ccc(cc1)C)C)C(=O)N	PC-id_31050730	470.608	MHUFUCXPQJLKSL-MRXNPFEDSA-O	00000010100010110001000010000000000000000000000000000000	25-01-148414
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)Nc1ccc(cc1)C)C)C(=O)N	PC-id_31050733	470.608	MHUFUCXPQJLKSL-INIZCTEOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-148415
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)Nc1ccc(cc1)C)C)C(=O)N	PC-id_85480212	470.608	MHUFUCXPQJLKSL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-148416
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC)C(=O)OCC	PC-id_17301554	470.608	DHCMLRVGDUZBKR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148417
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC)C(=O)OCC	PC-id_17301594	470.608	QAIGNJAYTRHMES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148418
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC)C(=O)OCC	PC-id_19729827	470.608	GMKQIPDBPZBKJN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148419
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_17303112	470.608	NDKMVLMGQRGHFG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148420
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC)C(=O)OCC	PC-id_16513748	470.608	ZJFPRPBTYYPRFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148421
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC)C(=O)OC	PC-id_17303016	470.608	LSEMZXMPVFQCCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148422
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)C)C(=O)OCC	PC-id_20124371	470.608	OXNWZFVAFIDUKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148423
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(OC)ccc1)C)C(=O)OC	PC-id_20172610	470.608	WTYGHGHIKHAKCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148424
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(C(C)(C)C)cc1)C(=O)N	PC-id_24496561	470.611	HEHRJGGGXWIPQV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148425
c1(NC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1204975970,EMOLS-id_334334373	470.624	XUWSZRLLMMZWQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148426
c1(NC(=O)CCCOc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8024836591,EMOLS-id_334337953	470.624	UXTUXFYEGRYZCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148427
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332841,MCULE-6131625625	470.624	ODDJGUBVOIVBBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148428
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331922197,MCULE-4060899969	470.627	ACSPRLPBPIVKQY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148429
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCC)sc2CCCc2c1C#N	EMOLS-id_331923218,MCULE-4235732248	470.627	NFNMLSCCOBFCMH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148430
Brc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc1	PC-id_44053408	471.37	UVJOZAQAUOGHMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148505
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331926034,MCULE-8262639477	470.627	LKNAGOXSKAYZDA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148431
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCCC)sc2CCCc2c1C#N	MCULE-2993912138,EMOLS-id_331930641	470.627	XVKJGDGCCCRIIZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148432
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCC)sc2CCCc2c1C#N	MCULE-3932937859,EMOLS-id_331922201	470.627	IFVYFMLICKGKTL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148433
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CC)sc2CCCc2c1C#N	MCULE-4147885206,EMOLS-id_331926550	470.627	KNSKDICFJMAMRI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148434
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCC)sc2CCCc2c1C#N	MCULE-8420825498,EMOLS-id_331922451	470.627	DTLBSZXDXZUWFZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148435
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)S(=O)(=O)N1CCCCC1	PC-id_92109823	470.627	LIRGPLCCVADBHY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148436
c1(NC(=O)CCSCCC(=O)Nc2sc3c(CCC3)c2C#N)sc2c(CCC2)c1C#N	MCULE-4060598917,ZINC22_1802744,PC-id_1587499,CoCoCo_1802175,EMOLS-id_5484934	470.631	DNSACGJBHOPBMF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148437
COCC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C	PC-id_140817161	470.637	BWODUQXIPDFPRB-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-148438
OCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Oc1ccccc1	PC-id_140817164	470.637	MRHHYHXFPMWGNS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148439
OC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817052	470.637	JVOAMJSXIKSDMI-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148440
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)OCC(c1ccccc1)O	PC-id_140817157	470.637	BVFYUBPLUUXYMN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148441
OCC(c1ccccn1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817117	470.64	PQLSWWQVAJBCOI-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-148442
OCC(c1cccnc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817090	470.64	MNUGJGAYWQOEOC-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-148443
CN(C)c1ccc(cc1)C(CNC(=O)c1cc2CCCc2n1Cc1ccccc1)N1CCCCC1	EMOLS-id_328216688,MCULE-5335358422	470.649	LXDGVMZHDUPRDK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148444
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3c(F)cccc3Cl)/c(=O)n2n1	EMOLS-id_324914698	470.732	SXWXUFBZANTAOT-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148445
n12c(=O)c(=Cc3c(cccc3F)Cl)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-2698649608	470.732	SXWXUFBZANTAOT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148446
CC(NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(c2)C#N)n2CCCc12)C(F)(F)F	BindingDB-id_987250	470.805	PFCDREKJHAJLJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148447
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cccc(Cl)c1F	BindingDB-id_799412,SCHEMBL19900714,PC-id_134285034	470.884	TYMONBJECSUTHM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148448
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134285086,BindingDB-id_799312,SCHEMBL19900779	470.884	HWJXXUUCIZDGGH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148449
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(F)cc(Cl)c1	SCHEMBL19900803,PC-id_134285108,BindingDB-id_799406	470.884	SLKJUYNVIRUDDM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148450
Cc1c(C(=O)C(=O)NC2(CC2)c2cnn[nH]2)c2CCCn2c1C(=O)Nc1cc(Cl)ccc1F	PC-id_134285167,SCHEMBL19900872,BindingDB-id_799392	470.884	QLUPYTVGRBSSMM-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148451
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)Nc1sc2c(c1C#N)CCC2	PC-id_2500186,CoCoCo_3586844,MCULE-7132345331,CoCoCo_3586845,ZINC22_3381933,EMOLS-id_3295264	470.896	VHJNMVAJMJIQDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148452
c1(NC(=O)COc2cccnc2NC(=O)c2c(cccc2Cl)F)sc2c(CCC2)c1C#N	MCULE-8122824121,EMOLS-id_321802877	470.904	GNMZTUQJWHUKSF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148453
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(cc2F)Cl)sc2c(CCC2)c1C#N	MCULE-4220600066,EMOLS-id_321809522	470.904	PCDODFDFWPWDQF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148454
Clc1ccc(C(=O)CN(Cc2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_53466740	470.906	OPVLCJULFGSGJV-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148455
Clc1ccc(C(=O)CN(Cc2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_76035867	470.906	OPVLCJULFGSGJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148456
CCCCCC(CC)C1(C(C2=C(SC(=C2S1)Br)Br)F)C(=O)[O-]	PC-id_153940913	470.91	NAOKORWLAZIJTO-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-148457
Clc1c(N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)ncc(c1)C(F)(F)F	PC-id_27214692	470.919	YMFHVXPJDFMWKN-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-148458
c1(c2CCCc2sc1NC(=O)COc1ccc(cc1)Cl)C(=O)Nc1ccccc1OCC	CoCoCo_1731243,EMOLS-id_1088297,MCULE-2769958448,ZINC22_1214652,PC-id_1368642,TIMTEC422825	470.968	RFHYPFDJKHOVFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148459
Clc1cc(NC(=O)c2c3CCCc3sc2N=Cc2c(OC)cc(OC)c(OC)c2)ccc1	PC-id_3335583	470.968	CCUCWEFXPHSXDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148460
Clc1cc(NC(=O)c2c3CCCc3sc2/N=C/c2c(OC)cc(OC)c(OC)c2)ccc1	PC-id_9664909	470.968	CCUCWEFXPHSXDG-LGJNPRDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148461
c1(c2CCCc2sc1NC(=O)CNCc1ccccn1)C(=O)Nc1c(OC)ccc(Cl)c1	ZINC22_57311635,PC-id_3254278,EMOLS-id_2785184,MCULE-2589334257,TIMTEC455727,CoCoCo_6723793	470.972	SQBXTMWVERPONP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148462
c1(NC(=O)Cc2ccccc2Cl)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	PC-id_30862791,CoCoCo_5277786,ZINC22_23139567,MCULE-1273962054,EMOLS-id_24913575	470.972	XMSXOPUUDOPSAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148463
c1(NC(=O)COc2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCCc1ccccc1	EMOLS-id_24913637,PC-id_30862878,CoCoCo_5277822,ZINC22_23139661,MCULE-3357798139	470.972	XIXAMIDRFPOAMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148464
Clc1ccc(CC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc1	PC-id_44053580	470.972	YUUOGDOMSOZMSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148465
Clc1ccc(NC(=O)CC2Sc3n(nc(n3)COc3ccc(C(C)(C)C)cc3)C2=O)cc1	PC-id_46872244	470.972	YLSGBNFCOBCPTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148466
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)c(OC)cc1	PC-id_44053840	470.972	XVEJSUIWRRZXRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148467
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1Cl	MCULE-7063865747,EMOLS-id_43840880,ZINC22_12747836,PC-id_24231167,CoCoCo_3314589	470.99	LDQOICXAAWEVGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148468
CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408618009	470.99	IQFJZHGNNNONPN-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148469
CCOC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408618010	470.99	IQFJZHGNNNONPN-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148470
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408629986	470.99	LTGLCKHQTACHJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148471
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408604567	470.99	HBUDTBHTLDXQFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148472
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408622994	470.99	XFBCMKMMESDIQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148473
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)C)sc2c1CCC2	ZINC22_408624979	470.99	HFJCNAMJAZWJQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148474
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)cc(S(=O)(=O)N(CC)CC)cc1	PC-id_3920704	470.99	LFZXPGZCBMJETF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148475
COc1ccc(cc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCC2)Cl	GD-id_ZINC15946671	470.992	XNSNGXDYZNDJPP-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-148476
c1(NC(=O)CSc2nc(C)c(c(=O)[nH]2)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_322524528,MCULE-9094519189	470.995	JGRJEAVIMFMOAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148477
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CSC(=C4)C(F)(F)F	PC-id_164872167	471.053	IGHNBNJMVJUFLL-OAHLLOKOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-148478
C1C2=CN(N=C2CN1C(=O)C(CO)C3=C(C(=CC=C3)F)Cl)SC4=CN(N=C4)CC(F)F	PC-id_164872274	471.074	PROJXSIXXZAPEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148479
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=[N+]=C(O4)C)C(=O)NC5=CC(=C(C=C5)F)Cl	PC-id_148607020	471.123	NDPZGBUMHRJJRN-UHFFFAOYSA-O	00101110100000110001100010000000000000000000000000000000	25-01-148480
Brc1c2n(CCC2C(=O)OC)c(c1Br)C(=O)c1cc(OCC)ccc1	SCHEMBL11006212,PC-id_20405025	471.14	DPGHMUZMBDHTOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148481
C1COCCN1CC2=CC=C(C=C2)CCC3=C4CN(C(=O)C4=CS3)[C@@H](CCC(=O)O)C(=O)N	PC-id_151060370	471.183	MGARHOIFGGXGAD-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148482
C1COCCN1CC2=CC=C(C=C2)CCC3=CSC4=C3CN(C4=O)C(CCC(=O)O)C(=O)N	PC-id_150918641	471.183	LDNVIEBPUGZDFI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148483
C1COCCN1CC2=CC=C(C=C2)CCC3=CSC4=C3CN(C4=O)[C@@H](CCC(=O)O)C(=O)N	PC-id_150918640	471.183	LDNVIEBPUGZDFI-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148484
Cc1c(c(c(cc1)C)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C	PC-id_163595384	471.247	ZFCYMHPQBBJWTO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148485
O=C(c1sc(c2c1CCC2)C(=O)O)CC(C(F)(F)F)(c1cc(Cl)c(c(c1)Cl)F)O	PC-id_140659780	471.25	WBBQCBXABBFGQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148486
Brc1cc(F)c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_29342497	471.297	QKZZOJTXYNYHFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148487
c1(N(=O)=O)nn(c(C)c1Br)C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	MCULE-3784022551,BAS-24804435,ChEMBL-DNDi_CHEMBL7973675,TIMTEC462329,EMOLS-id_2011118,PC-id_2978892	471.326	SXMGRNQVASWPMY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148488
CCOC(=O)c1c(NC(=O)[C@H](C)n2nc([N+](=O)[O-])c(Br)c2C)sc2c1CCC2	CoCoCo_434385,PC-id_1256546,ZINC22_1067735	471.326	SXMGRNQVASWPMY-VIFPVBQESA-N	00000010100000000001000010000000000000000000000000000000	25-01-148489
CCOC(=O)c1c(NC(=O)[C@@H](C)n2nc([N+](=O)[O-])c(Br)c2C)sc2c1CCC2	ZINC22_1067734,PC-id_1256545,CoCoCo_434386	471.326	SXMGRNQVASWPMY-SECBINFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148490
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O	PC-id_117588387,ZINC22_256055489	471.327	IKXBXSMEUQXOJP-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148491
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=c/2sc3ncnn3c2=O)c1	ZINC22_256055697,PC-id_117588389	471.327	PZJLEUNULYDUQT-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148492
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_47154592	471.327	PTKKGNUHEIHDAI-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148493
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C)c2=O	MCULE-1985156691	471.327	IKXBXSMEUQXOJP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148494
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O	MCULE-3063367596	471.327	PTKKGNUHEIHDAI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148495
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1)c2=O	MCULE-6561315180	471.327	PZJLEUNULYDUQT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148496
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2I)sc2c1CCC2	ZINC22_16449266,PC-id_4504715	471.336	BURVVDLJCQXJQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148497
NC(=O)c1c(NC(=S)NC(=O)c2cccc(I)c2)sc2c1CCC2	ZINC22_16399202,PC-id_4504950	471.336	LPLHQCRHQBMJAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148498
NC(=O)c1c(NC(=S)NC(=O)c2ccc(I)cc2)sc2c1CCC2	PC-id_4504956,ZINC22_16400845	471.336	WPYROPIOZYXNIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148499
C1(c2c(C(=O)OCC)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2CC1)C(=O)OCC	PC-id_2815128,EMOLS-id_5835513,MCULE-1719291799	471.354	ABOZXVRXWUTRIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148500
Clc1cc(NC(=O)Nc2sc3c([C@@H](CC3)C(=O)OCC)c2C(=O)OCC)ccc1Cl	PC-id_29993291	471.354	ABOZXVRXWUTRIX-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148501
Clc1cc(NC(=O)Nc2sc3c([C@H](CC3)C(=O)OCC)c2C(=O)OCC)ccc1Cl	PC-id_42545237	471.354	ABOZXVRXWUTRIX-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-148502
Clc1c(OCCCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(Cl)c1	PC-id_3994429	471.354	LQNUKQMPLAIUGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148503
NC(=O)c1c(NC(=O)CCC(=O)OCCOc2ccc(Cl)cc2Cl)sc2c1CCC2	MCULE-9500599873,EMOLS-id_3226453,ZINC22_2654571,PC-id_2118071,CoCoCo_3636360	471.354	LLMFBMGVGBZYEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148504
FC(F)(F)Oc1ccc(N2CCN(CC2)C(=O)OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_23081250,SCHEMBL5539046	471.387	DWWNPKGMIWAYDL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148508
FC(F)(F)Oc1ccc(N2CCN(CC2)C(=O)OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL5541344,PC-id_69481138	471.387	DWWNPKGMIWAYDL-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148509
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_92109374	471.396	MFTOJDJVCXRVHI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-148510
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_18848629,MCULE-7850829170	471.397	YBUFSWRQDPMVJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148511
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388511,MCULE-8946261449	471.397	MLMHKUUOOJUGDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148512
Brc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_20176511	471.435	VLTGQOXKOISXOL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148513
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(F)c(F)c2F)sc2c(CCC2)c1C#N	EMOLS-id_323206529,MCULE-9352594203	471.452	HYWZJXSPFWREIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148514
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=N)OC(=N)C)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19920576,PC-id_134302864	471.457	DUBDPZHJXIEQQZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-148515
FC(F)(F)c1cccc(c1)c1ccc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)o1	STOCK4S-64267,ZINC22_13776846,EMOLS-id_26346347	471.475	OEABMOPGFKYQER-FHZYVREQSA-N	00000000101100110001100010000000000000000000000000000000	25-01-148516
FC(F)(F)c1cccc(c1)c1ccc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)o1	ZINC22_27022383,EMOLS-id_45970406	471.475	OEABMOPGFKYQER-LJOVRERSSA-N	00000000101100110001100010000000000000000000000000000000	25-01-148517
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1cccs1	MCULE-6498922341	471.475	OEABMOPGFKYQER-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-148518
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1nncs1	PC-id_139507411,SCHEMBL21378272,BindingDB-id_980746	471.48	MDTSJMGKVXZZHR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148519
c1(NC(=O)c2cc(OC)c(cc2N(=O)=O)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334341025,MCULE-2083674573	471.483	GCWUYBPJBJYXOB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-148520
O=C(c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)N1Cc2c(C1)cn(n2)CC1CCC1	SCHEMBL18501298	471.493	ZMBTVKMIMRMVEJ-ZDUSSCGKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148521
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-3184720260	471.503	YDBFYTQVWPYTRV-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-148522
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCOCC1	SCHEMBL4283397,PC-id_68985912	471.505	CTJUXIBBVQSCPS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148523
ONC(=O)CN1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1cccc(c1)C(=O)c1ccccc1	PC-id_44137439,SCHEMBL8025262	471.506	WJYNRZWWRXWXKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148524
ONC(=O)CN1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1cccc(c1)C(=O)c1ccccc1	PC-id_44137567,SCHEMBL8017301	471.506	DODHSMMJIUMQFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148525
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)C	MCULE-1537234989	471.509	ZYYZHWHRWJALTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148526
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCN(CC1)C)CNC2(C)C	PC-id_57703905,SCHEMBL1371503	471.51	QYJVDKVLGJRLBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148527
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C)CNC2(C)C	SCHEMBL4292337,PC-id_68990214	471.51	GVJDAKHLWWMTOF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148528
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C	SCHEMBL13857361,PC-id_57703898	471.51	UEXBNXXYUCQIDW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148529
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCN(CC1)C	SCHEMBL1987021,PC-id_67238084	471.51	ACSJEHUEDIORJH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148530
CO[C@@H](C(=O)n1cc2c(c1)C(=NC(=O)c1ccc(cc1)N1CCN(CC1)N)N=N2)c1ccccc1	PC-id_138467715	471.511	RGEJIUQILGLSBC-JOCHJYFZSA-N	00000011100010110001100010000000000000000000000000000000	25-01-148531
CO[C@@H](C(=O)n1cc2c(c1)/C(=NC(=O)c1ccc(cc1)N1CCN(CC1)N)/N=N2)c1ccccc1	SCHEMBL20812887	471.511	RGEJIUQILGLSBC-ZGPNMMCTSA-N	00000011100010110001100010000000000000000000000000000000	25-01-148532
c1(oc(C)cc(=O)c1O)C(CC(=O)NCCc1cn2c(SCC2)n1)c1ccc(c(OC)c1)O	CNP0343689,MCULE-5740776815,EMOLS-id_104672427,STOCK1N-93712	471.526	MECFODDUSBVBJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148533
COc1cc([C@H](CC(=O)NCCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)ccc1O	ZINC22_524729860	471.526	MECFODDUSBVBJV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148534
COc1cc([C@@H](CC(=O)NCCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)ccc1O	ZINC22_524729861	471.526	MECFODDUSBVBJV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148535
O=C(Nc1ccccc1[N+](=O)[O-])COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	PC-id_31106798,GD-id_ZINC23431735	471.526	SLQURAIAQXPUFJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148536
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(OC)cc1)C)C(=O)OCC	PC-id_45607217	471.526	YMIXRQVXUGGIDA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148537
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(OC)cc1)C)C(=O)OCC	PC-id_51911753	471.526	YMIXRQVXUGGIDA-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148538
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(OC)cc1)C)C(=O)OCC	PC-id_51911754	471.526	YMIXRQVXUGGIDA-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148539
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CN(C(=O)C1)c1ccc(OCC)cc1)C(=O)N	PC-id_24378983	471.526	MZKWEWVIYFQZJY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-148540
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1cc(OCC)c(OCC)cc1)C#N	PC-id_16526754	471.526	JWQGZNJBCIHZOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148541
COc1cc(/C=c/2sc3nc(COc4ccccc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324842229	471.528	PPHHWOQTNFDXGM-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148542
COc1ccccc1OCc1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324872706	471.528	CTUBKERYAFDLHA-HAHDFKILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148543
COc1cccc(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)c1	EMOLS-id_324874757	471.528	QSOLMIZNOLKUBH-UCQKPKSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148544
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1ccccc1OC	MCULE-3859030571	471.528	CTUBKERYAFDLHA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148545
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1cccc(OC)c1	MCULE-6075403688	471.528	QSOLMIZNOLKUBH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148546
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1ccccc1	MCULE-8369290598	471.528	PPHHWOQTNFDXGM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148547
c1(NC(=O)COc2cccnc2NC(=O)N(CCC)CCC(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321858746,MCULE-3597627705	471.529	QEFLAABKEAFVMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148548
c1(NC(=O)COc2cccnc2NC(=O)NCCCCCC(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321873786,MCULE-8546015786	471.529	UPYFGNMLDCHYBE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148549
c1(NC(=O)COc2cccnc2NC(=O)NC(CC(C)C)C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321874298,MCULE-6085277633	471.529	OZDDLYMVDXRQTD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148550
c1(NC(=O)COc2cccnc2NC(=O)NC(C(C)CC)C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321875066,MCULE-3396199348	471.529	WJRJKSGUCFRFPV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148551
c1(NC(=O)COc2cccnc2NC(=O)NC(CCCC)C(=O)O)sc2c(CCC2)c1C#N	MCULE-3208884979,EMOLS-id_321874810	471.529	GNKFVZBFHUMSGR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148552
c1(NC(=O)COc2cccnc2NC(=O)N(C)CCC(=O)OCC)sc2c(CCC2)c1C#N	EMOLS-id_321857722,MCULE-8554398029	471.529	KIDZCLZAAQYRIX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148553
c1(NC(=O)CNc2ccc(c(c2)n2cnnn2)OCc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320703283,MCULE-8900122012	471.534	LYUITOTWJFWLCR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148554
COc1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc(Br)c1O	EMOLS-id_324912642	471.541	PTCROENALPMEPA-YWEYNIOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148555
n12c(=O)c(=Cc3cc(c(O)c(Br)c3)OC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-4862831939	471.541	PTCROENALPMEPA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148556
COc1ccc(cc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)csc2)CS(=O)(=O)C	PC-id_141237096	471.546	LFVMZQBCZFVIDM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148557
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	CoCoCo_5153023,ZINC22_15882445,EMOLS-id_22738299,MCULE-9897048877,PC-id_26843293	471.549	WVAVKDIBBTUWIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148558
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)N	PC-id_27443624,CoCoCo_5153098,EMOLS-id_22738305,MCULE-1183309809	471.549	KWQPNYJXYHRMDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148559
CC(C1C2N(C1=O)C(=C(S2)SC1CCn2c1c[n+](c2)CC(=O)c1ccccc1)C(=O)[O-])O	PC-id_88606238	471.549	HODPUWMJGBVIAZ-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-148560
CC([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)[O-])SC1CC[n+]2c1cn(c2)CC(=O)c1ccccc1)O	SCHEMBL10408553	471.549	HODPUWMJGBVIAZ-VEVULQRVSA-N	00001011100000110001001010000000000000000000000000000000	25-01-148561
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(o1)C(=O)NCCc1ccccc1	SCHEMBL14055597,PC-id_89237042	471.549	SNWAFBRUXKLRPJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-148562
CC1(C2=C(CN1CC3=CC(=CC=C3)I)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164619802	472.076	QRDPIXVRUUTUSL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148691
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cc(co1)C(=O)NCCc1ccccc1	SCHEMBL14056277,PC-id_89237639	471.549	ALEQAULEVBREEU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-148563
OC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)c1ccccc1	PC-id_57791753,SCHEMBL8028383	471.549	XTPHDKAVJUYHSN-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148564
OC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)c1ccccc1	SCHEMBL8028381,PC-id_57791539	471.549	GJYWCYOPCWYRNK-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148565
OC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)c1ccccc1	SCHEMBL8034265,PC-id_57791624	471.549	XTPHDKAVJUYHSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148566
OC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)c1ccccc1	PC-id_57791685,SCHEMBL13786593	471.549	GJYWCYOPCWYRNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148567
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1	PC-id_24414326	471.549	OIHJIKOFVBCSMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148568
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2c(OC)cccc2)cc1	PC-id_46652779	471.549	WOJWUQILSQOLGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148569
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCc2nc(sc2)C)ccc1)C(=O)N	PC-id_27730316	471.549	USOZKSXVVFGFIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148570
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)NCc1ccccc1)C(=O)OC	PC-id_24372082	471.549	MHTRJMIIINVIOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148571
CCOC(=O)c1c(sc2c1CCC2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_139215184	471.55	CIDGRHLBSJGEHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148572
O=C1CCCN1c1ccc(cc1)C(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_68442948,SCHEMBL2924765	471.551	FKOGQSQDGYMLEE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148573
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cocn1)CC1CCOCC1	PC-id_59508265,SCHEMBL6378498	471.553	GFWMSYKWYAURCO-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-148574
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4ncoc4)c3C2)(C)C)C)CC1	PC-id_72310399	471.553	GFWMSYKWYAURCO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-148575
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CC)sc2CCCc2c1C#N	EMOLS-id_331790004,MCULE-1523803700	471.556	DFOYAMQHRODZCN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148576
CC1(c2c(CN1C(=O)OC(CN(C)C)C1CCCCC1)c(n[nH]2)NC(=O)c1ccc(cc1)F)C	SCHEMBL15252538,PC-id_89800867	471.568	WNZBKCQCAKDQLZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148577
CN(CC(C1CCCCC1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)C	PC-id_66941591,SCHEMBL1205761	471.568	XTODJMPKRNCQIJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148578
CN(C[C@H](C1CCCCC1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_58015690,SCHEMBL12879344	471.568	WNZBKCQCAKDQLZ-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148579
CN(C[C@H](C1CCCCC1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)C	SCHEMBL1205758,PC-id_58015726	471.568	XTODJMPKRNCQIJ-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148580
Clc1c(C(=O)Nc2sc3c(CCC3)c2C(=O)Nc2ccc(OC)cc2)cc([N+](=O)[O-])cc1	PC-id_24077634	471.913	RGJWFYUILHGTFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148653
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)OC)C2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334389777,MCULE-9400211833	471.569	QMJYIYRSKXSMHB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-148581
c1(NC(=O)C2CC(=O)N(CCc3ccc(c(OC)c3)OC)C2)sc2c(CCC2)c1C(=O)NC	MCULE-5982468162,EMOLS-id_334328792	471.569	NMSNVHSUURRODA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148582
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCC1CCCCC1	SCHEMBL14056460,PC-id_89237810	471.569	VESXZAHTYHPXRX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148583
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)CCC1CCCCC1	PC-id_89239049,SCHEMBL14057979	471.569	WKCVMYBOXVNEFL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148584
O=C(CCC(=O)Nc1sc2c(c1C(=O)N)CCC2)OCC(=O)Nc1ccc(cc1)C(C)(C)C	PC-id_2116757,GD-id_ZINC02653363,CoCoCo_3090968	471.569	FNOOQGHSFMYVPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148585
c1(NC(=O)c2cc(on2)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_17012466,MCULE-2459274525,TIMTEC606423,CoCoCo_2254636,ZINC22_27662622,EMOLS-id_10105026	471.571	ZWIWOOOMAWWYBW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148586
Cc1nc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc1C(=O)OCc1ccccc1	MCULE-8655996777,EMOLS-id_328224373	471.571	ATFSWTNJZGYVCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148587
CCOC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1c1ccccc1	MCULE-3736667764,EMOLS-id_328224126	471.571	IXIYIKVNSFFARL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148588
c1(NC(=O)COc2cccnc2NC(=O)NCCCOCCCC)sc2c(CCC2)c1C#N	EMOLS-id_321875832,MCULE-7146022281	471.572	SQWMUMFHSIOASU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148589
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCO)sc2CCCc2c1C#N	MCULE-8563767417,EMOLS-id_331928861	471.572	WUQJCNUUXNDNPG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148590
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331929880,MCULE-5033249856	471.572	JESPHNSHIYYFEX-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-148591
O=C1NC(=O)c2c1cc(s2)C(c1ccc(s1)C(c1sc2c(c1)C(=O)NC2=O)(N)C)(C)C	SCHEMBL19333901	471.572	KBUXGFBTJFMVTP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-148592
s1c2c(CCC2)c(c1NC(=O)C(N(CC)CC(=O)Nc1ccc(NC(=O)C)cc1)C)C(=O)N	PC-id_24506680	471.572	BSORVNNUQGODKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148593
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(c(cc3)C)C)n(nc2C1)CC(=O)NCCOC	PC-id_44053041	471.572	UXQNQRDJHXRQGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148594
C[C@H]1CN(C(C1)(C)CNC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)NC1CC1)C	SCHEMBL19200660	471.574	GEJNXTNDAMCLHN-JHQYKTOJSA-N	00100010100000100001000010000000000000000000000000000000	25-01-148595
C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(NC4CC4)ncc3F)n[nH]c2C1(C)C	BindingDB-id_546032,SCHEMBL3327651,BindingDB_PC-id_59333981,PC-id_59333981	471.574	TYBGMAHKOCIODO-ZDUSSCGKSA-N	00100010100010100001000010000000000000000000000000000000	25-01-148596
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(N)nc(c1F)C1CC1)(C)C	SCHEMBL5133169,PC-id_69324777	471.574	RFGHGYPZNMFMAB-LBPRGKRZSA-N	00100010100010100001100010000000000000000000000000000000	25-01-148597
N#Cc1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(c(c1)OC)C#N	SCHEMBL18367980	471.574	YELMHYPPELJBHC-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148598
Cc1cc(cc(c1OCC(CNC(=O)CO)O)C)CCC(=O)n1c2c(C(CC2)C(C)C)c(n1)C	PC-id_90362724,SCHEMBL15978924	471.589	OCIUFMQGFPYBPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148599
C(c1ccc(O)cc1)c1[nH]c(SCC(=O)Nc2sc3CCCc3c2C(=O)OCC)nc1C	MCULE-8738422261,TIMTEC177116,ZINC22_15106098,PC-id_24206221,EMOLS-id_25581787	471.592	GRHXBVHIOOCZFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148600
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1ccc(cc1)CO	SCHEMBL19772181,PC-id_134171001	471.592	BEKBWHZSIAJAEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148601
COCC(Oc1cc(Oc2ccc(cc2)SC)cc(c1)C(=O)Nc1sc2c(n1)CNC2)C	PC-id_145120683	471.592	VHTZBKKLFGXZFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148602
COC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)sc2c1CCC2	GD-id_ZINC30590063	471.592	WDTOBYSEEQGBJK-KRWDZBQOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-148603
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)c1oc(nn1)c1sccc1	PC-id_24470693	471.592	DECROODYQBETMA-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-148604
s1c2c(CCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_51603007	471.592	VBRPYDLPLNONJE-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-148605
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_4455301	471.592	XNSJYRWXOFPABD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148606
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)[C@@H]([NH+](C)C)C)c1ccc(F)cc1)C#N	PC-id_41215996	471.594	KFUUUCWCAKYTRO-ZDUSSCGKSA-O	00000010100000110001100010000000000000000000000000000000	25-01-148607
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)[C@H]([NH+](C)C)C)c1ccc(F)cc1)C#N	PC-id_41215998	471.594	KFUUUCWCAKYTRO-CYBMUJFWSA-O	00000010100000110001100010000000000000000000000000000000	25-01-148608
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)C([NH+](C)C)C)c1ccc(F)cc1)C#N	PC-id_74752748	471.594	KFUUUCWCAKYTRO-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-148609
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCC1OCCC1)C	PC-id_44053104	471.594	APGRCOBRDLWVOJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-148610
c1(NC(=O)CSc2nnc(c3ccccc3)n2CCCOC)sc2c(CCC2)c1C(=O)N	ASN-03931999,EMOLS-id_6512291,MCULE-9330734684,ZINC22_6904722,PC-id_3180976	471.596	NSXGBYHCWBPEGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148611
COc1ccc(c2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)n2C(C)C)cc1	MCULE-8922669152,ZINC22_3376720,EMOLS-id_3292994,PC-id_2494725,CoCoCo_2814209	471.596	BZMDTXONTRAVQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148612
OC[C@H](CN(C[C@@H](N(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)CC)C)C)C	PC-id_122626065,SCHEMBL18155603	471.596	DNKJLRKWKCYNKB-IRXDYDNUSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148613
s1c2c(CCC2)c(c1NC(=O)CCSc1n(N)c(nn1)CCc1ccccc1)C(=O)OC	PC-id_17047470	471.596	RUXAYFKJRFJHMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148614
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1ccncc1)C(=O)OCC	PC-id_41167846	471.596	JYUJJOVMQUSRHF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-148615
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)C)C(=O)OC	PC-id_17270849	471.596	VRFXAWGZSHZGGR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148616
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)C)C(=O)OC	PC-id_17303883	471.596	VCEZDCBJYMQZEJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148617
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC=C)C(=O)OC	PC-id_20127373	471.596	BVVQADRRMXUDRU-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-148618
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCCCCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_73550910,MCULE-1608539417	471.609	ASSKFBDVUYTRIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148619
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCCCCCC)cc1)C(=O)OCC	PC-id_19172163	471.609	ASSKFBDVUYTRIG-FYWRMAATSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148620
S(=O)(=O)(n1c2c(C(C(C2=O)C(=O)OC)C(C)C)cc1CCCCCC=C)c1ccc(cc1)C	PC-id_76446782	471.609	SSRFPMGOQGSVBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148621
S(=O)(=O)(n1c2c([C@@H]([C@H](C2=O)C(=O)OC)C(C)C)cc1CCCCCC=C)c1ccc(cc1)C	PC-id_56954066	471.609	SSRFPMGOQGSVBF-XZOQPEGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148622
c1(c2CCCc2sc1NC(=O)CN1CCCCC1CC)C(=O)Nc1ccc(cc1OC)OC	EMOLS-id_2785164,TIMTEC67682,MCULE-5178827656,PC-id_4252817	471.612	AZJHOQQMFRLBJJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148623
c1(NC(=O)CCCCCNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2318726135,EMOLS-id_334389023	471.612	MBZBXWLVROCXAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148624
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385683,MCULE-6197996467	471.612	YOOCELDJQNZBAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148625
CC[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CCC2	CoCoCo_6723778,CoCoCo_6723776,ZINC22_15946652,PC-id_26875328	471.612	AZJHOQQMFRLBJJ-MRXNPFEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148626
CC[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CCC2	CoCoCo_6723779,CoCoCo_6723777,ZINC22_15946654,PC-id_26875330	471.612	AZJHOQQMFRLBJJ-INIZCTEOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148627
COc1cc(OC)c(cc1C(=O)N1Cc2c(C1)cc(s2)CN1CCN(CC1)C(=O)C)C(C)C	PC-id_141750763	471.612	BCFLSHWBWIZFRE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148628
s1c2c(nc1NC(=O)c1cc(OC)cc(OC)c1)C(C(=O)NC1CC(CC(C1)C)(C)C)CC2	PC-id_16948002	471.612	GOXOKTQKKSCGDV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148629
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCN(C)C)sc2CCCc2c1C#N	MCULE-8700512913,EMOLS-id_331928601	471.616	ATMHIHZUFDZCHR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148630
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCN(CC)CC)sc2CCCc2c1C#N	MCULE-7317962492,EMOLS-id_331931409	471.616	NUYFYVSFDUUQRI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148631
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1nc(nc(c1)C)C(C)C)C(=O)OCC	PC-id_26376549	471.616	FVGOURGCQDALBM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-148632
N#Cc1c(NC(=O)CSc2nnc(c3cccs3)n2C[C@@H]2CCCO2)sc2c1CCC2	PC-id_41104312,ZINC22_9514900,CoCoCo_3018044	471.619	OOZWSBOSZRSPQV-ZDUSSCGKSA-N	00000010100100000001100010000000000000000000000000000000	25-01-148633
N#Cc1c(NC(=O)CSc2nnc(c3cccs3)n2C[C@H]2CCCO2)sc2c1CCC2	PC-id_41104313,ZINC22_9514902,CoCoCo_3018045	471.619	OOZWSBOSZRSPQV-CYBMUJFWSA-N	00000010100100000001100010000000000000000000000000000000	25-01-148634
N#Cc1c(NC(=O)CSc2nnc(n2CC2CCCO2)c2cccs2)sc2c1CCC2	MCULE-6285501631,PC-id_16386371,EMOLS-id_11857082	471.619	OOZWSBOSZRSPQV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-148635
c1(NC(=O)CS(=O)CC(=O)Nc2c(cccc2C(C)C)C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_320689474,MCULE-4488812592	471.635	UPVMDLGBQIOFBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148636
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCC(=O)NCCC)nn1)C(=O)N	PC-id_32037245	471.64	NNBREFYCAVROBY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148637
CCc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_140882916	471.643	IJPLNVVWRTVTAG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148638
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(C)ccc(c1F)C	PC-id_140882921	471.643	NCLIKOOPHUTIRA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148639
CCc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195462,SCHEMBL20348594	471.659	LPBGBXMZGFQWMV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148640
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C([Si](CC)(C)C)(C)C	PC-id_140817125	471.668	GNNDMCJIZUEGFA-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148641
CC(C[C@H](N1CCN[C@H](C1=O)CC(C)C)C(=O)N1CCC(CC1)Cc1nc2c(n1C)CCC2)C	SCHEMBL21058998,PC-id_138685794	471.678	ZAIPXVKEBAQEAP-UPVQGACJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-148642
CCCCN(c1ccc(s1)/C=c/1c2nnc(n2nc1C(C)(C)C)C(COC)(C)C)CCCC	PC-id_57866870,SCHEMBL12559716	471.702	GNCXWDNSSJFXHQ-JZJYNLBNSA-N	00000000100100000001000010000000000000000000000000000000	25-01-148643
s1c(C=c2c(nn3c(nnc23)C(COC)(C)C)C(C)(C)C)ccc1N(CCCC)CCCC	PC-id_76646441	471.702	GNCXWDNSSJFXHQ-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-148644
CCCCCCC1=C=[S+]c2c1sc(c2)/C=C/c1sc2c(c1)scc2CCCCCC	PC-id_122203468	471.784	NYQBTJAWCJSSBU-BUHFOSPRSA-N	00000011100000000000000110000000000000000000000000000000	25-01-148645
c1(NC(=O)CCCOc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334329818,MCULE-3364909243	471.796	LYHVZRSFHIWUIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148646
c1(NC(=O)CCCOc2ccc(cc2Cl)Br)sc2c(CCC2)c1C(=O)NC	EMOLS-id_334331865,MCULE-5688723143	471.796	LEFNGUVASCFPIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148647
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nn1)C(=O)Nc1c(ccc(c1)Cl)F	PC-id_134604946,SCHEMBL20259502	471.872	MUCLTSMKGUEVBY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148648
Clc1cc(C(=O)NC(Nc2sc3c(CCC3)c2C#N)(C(F)(F)F)C(=O)OCC)ccc1	PC-id_587474	471.88	OXCBLJUPFDHXSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148649
Clc1c(C(=O)NC(Nc2sc3c(CCC3)c2C#N)(C(F)(F)F)C(=O)OCC)cccc1	PC-id_587415	471.88	YQZWXWCIQKLODZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148650
Clc1c(cc(NC(=O)C[NH+](CC(=O)Nc2sc3CCCc3c2C#N)C)cc1)C(F)(F)F	PC-id_2500185	471.904	VHJNMVAJMJIQDO-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-148651
c1(c2CCCc2sc1NC(=O)c1c(Cl)ccc(c1)N(=O)=O)C(=O)Nc1ccccc1OC	EMOLS-id_1338209,MCULE-6903560399,PC-id_1123699,CoCoCo_201142,BAS-01425883,ZINC22_861758	471.913	PHNIIVSWSHESJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148652
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(C)c(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333645727,MCULE-7587152776	471.917	DOCPQRILMLMHSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148654
c1(NC(=O)COc2nonc2CC(=O)Nc2c(C)ccc(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333651090,MCULE-5406839440	471.917	OWTBHBWLNVDNJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148655
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(Cl)c2C)sc2CCCc2c1C#N	EMOLS-id_333650578,MCULE-3451520081	471.917	BVJGIXBFNPVNOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148656
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(Cl)cc2C)sc2CCCc2c1C#N	EMOLS-id_333651858,MCULE-3711965885	471.917	CSGQWTWQPMXNCR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148657
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(Cl)c(C)c2)sc2CCCc2c1C#N	MCULE-1386279576,EMOLS-id_333651601	471.917	SKIQXTBDKAKQDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148658
c1(NC(=O)COc2nonc2CC(=O)NCc2ccccc2Cl)sc2CCCc2c1C#N	EMOLS-id_333682015,MCULE-6935280480	471.917	INTYQGZPUKGJPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148659
c1(NC(=O)COc2nonc2CC(=O)NCc2ccc(cc2)Cl)sc2CCCc2c1C#N	MCULE-5080019324,EMOLS-id_333688401	471.917	DHIASGQADBBYEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148660
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)c([N+](=O)[O-])cc1	PC-id_44053421	471.917	KUFHMOSJBHNQRD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148661
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc([N+](=O)[O-])cc1	PC-id_44053422	471.917	VCCQROJFUQDKLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148662
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc1	PC-id_44053423	471.917	CUOVAHVSCSGQNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148663
Clc1c(cc(S(=O)(=O)C)cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_16517606	471.932	BTJIOKUCDRDBAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148664
Clc1c(S(=O)(=O)NC)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_28038429	471.935	JDEDSOPAXQGZNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148665
c1(NC(=S)NNC(=O)C(C)Oc2ccc(cc2Cl)F)sc2c(CCC2)c1C(=O)OC	PC-id_4508441,EMOLS-id_4154161,TIMTEC501289,MCULE-8058638053	471.953	VIVJOQOUELOLMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148666
Clc1c(O[C@@H](C(=O)NNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)C)ccc(F)c1	PC-id_28840147,CoCoCo_6797560	471.953	VIVJOQOUELOLMW-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148667
Clc1c(O[C@H](C(=O)NNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)C)ccc(F)c1	PC-id_28840154,CoCoCo_6797559	471.953	VIVJOQOUELOLMW-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-148668
c1(NC(=O)c2cc(on2)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_9870751,TIMTEC117650,MCULE-9289039837,PC-id_16455197	471.956	DCYOVAJKROGPJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148669
CCCOc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1OCC	EMOLS-id_324883977	471.956	VQMHZYDTFYDTBZ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148670
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1OCC	EMOLS-id_324842238	471.956	GOJSGRYABAZART-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148671
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2ccc(C)c(Cl)c2)sc2CCCc12	EMOLS-id_328250351,MCULE-8751405241	471.956	HESSZCLNPWWWJS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148672
CCOC(=O)c1c(NC(=O)c2nn(c(C)cc2=O)c2cccc(Cl)c2C)sc2CCCc12	MCULE-4159475378,EMOLS-id_328240865	471.956	ISPRSHRCFAKSBF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148673
Clc1ccc(CNC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)cc1	PC-id_16948014	471.956	CBVZYZUGTNATOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148674
Clc1c(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)ccc1)C	PC-id_16948072	471.956	MNWFOOWUKUHUCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148675
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)c(cc1)C	PC-id_16948073	471.956	LDWYDRFBBWVNDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148676
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)ccc1C	PC-id_16948074	471.956	RFLYUMGRHDVAIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148677
Clc1c(CNC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)cccc1	PC-id_16948007	471.956	JMTCBPKBTVOQHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148678
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1ccccc1Cl	MCULE-1670280972	471.956	VQMHZYDTFYDTBZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148679
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-8944125569	471.956	GOJSGRYABAZART-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148680
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1cc(c2ccc(Cl)cc2)on1	CoCoCo_6309636,ZINC22_11915961,PC-id_42279396	471.956	DCYOVAJKROGPJW-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148681
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1cc(c2ccc(Cl)cc2)on1	ZINC22_11915959,CoCoCo_6309635,PC-id_42279395	471.956	DCYOVAJKROGPJW-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148682
n12nc(nc1sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-3364687813	471.958	PXYSDNSBTOXPGO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148683
Clc1ccc(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_73382701	471.98	HLNRXNSZMPHGQL-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-148684
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]Cc2ncccc2)c(OC)cc1	PC-id_40473615	471.98	SQBXTMWVERPONP-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-148685
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3)o2)sc2c1CCC2	ZINC22_57316590,PC-id_17334613	471.98	HLNRXNSZMPHGQL-PKNBQFBNSA-N	00000010101000110000100010000000000000000000000000000000	25-01-148686
COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(CO)Cc2c(C1)cc(s2)Cl	SCHEMBL18874413	471.996	USSRXJMSEVFLHP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148687
Clc1ccc(C(CC(=O)N2C(c3[nH]nc(NC(=O)c4sccc4)c3C2)(C)C)CNC)cc1	SCHEMBL14521545,PC-id_71191408	472.003	MYNJTJJWTNYTPG-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-148688
CCOC(=O)c1c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)sc2c1CCC2	ZINC22_408575410	472.019	LAUGJEVIRNCLIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148689
Cl.S1(=O)(=O)N=C(c2c1csc2)NCCCOc1cc(CN(CCC)CCC)ccc1	CHEMBL544712	472.064	YTEQXDORAYLFTP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-148690
C[C@H](C(F)(F)F)NC(C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)C#N)Cl)O	PC-id_155038138	472.093	MVRZSBJXMSFTNI-HSLMEMBISA-N	00000010100000110000000010000000000000000000000000000000	25-01-148692
CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)SC3=NC=C(N3C4CC4)CC5=CC=CS5	PC-id_155097867	472.106	AUASRPXZGJWWHE-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-148693
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)N[C@H](C)C4=NC(=CO4)C)F	PC-id_161744575	472.131	MXLYDOJUFKVUEK-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148694
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)N[C@@H](C)C4=NC(=CO4)C)F	PC-id_161744576	472.131	MXLYDOJUFKVUEK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148695
CC1(CCOCC1)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)C#N)Cl	PC-id_147730673	472.131	GYIXUXQVQYKWJE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148696
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=CNNN4)C(=O)NC5=C(C=CC(=C5)Cl)F	PC-id_148543715	472.143	MSRKHIOQIRBNJI-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-148697
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COCC3=CC=C(C=C3)C=O	PC-id_150195326	472.167	FOIFAJOPLZWIER-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-148698
CC1(C2=C(CN1C(=O)O)C(=NN2C(=O)O)NC3CCCN(C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C	PC-id_154408281	472.171	OLQPRDZBINNZIR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148699
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC(=CC=C4)C(F)(F)F	PC-id_160526619	472.172	XRKLPXFTNLPEIZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148700
C1COCCN1CC2=CC=C(C=C2)CNC3=CSC4=C3CN(C4=O)[C@@H](CCC(=O)O)C(=O)N	PC-id_150240759	472.178	FXMBIRVTZXCEMO-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-148701
COC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(Br)cc(c1)C(F)(F)F	SCHEMBL18740064	472.18	LMUCCBLCOWBOGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148702
CCC1(CN2C(=C(C=N2)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N)O1)C	PC-id_165369729	472.193	DTEHMSHNUMSVIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148703
BrC1=c2c(=C(Br)S1(OCC)C(=O)CCCC)sc(c2)C(=O)O	PC-id_67996244,SCHEMBL9986297	472.212	QUDCFWDHYNJEJO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148704
CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=C2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5)C	PC-id_155268988,CHEMBL4468908	472.222	BUTLEWIFQZBNOV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148705
CCCCC1=CC=C(C=C1)C2=NN(C(=C2)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5)C	PC-id_155283366	472.222	DGFNSUVPLQQHRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148706
CCCC[Sn](c1cc2c(s1)CN(C2C)C(=O)O)(CCCC)CCCC	SCHEMBL6647775,PC-id_69851788	472.263	BKNLWXOOUMDSSE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148707
FC(F)(F)c1ccccc1/C=c/1sc2nc(COc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324848372	472.268	KNOSCEIDIMNPFW-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-148708
FC(F)(F)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324847860	472.268	RGFODRNOLBSASO-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-148709
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)COc1ccc(cc1Cl)Cl	MCULE-6248557674	472.268	KNOSCEIDIMNPFW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148710
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)COc1ccc(cc1Cl)Cl	MCULE-6739190677	472.268	RGFODRNOLBSASO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148711
Cc1c(ccc(c1)c1cc(ncn1)Nc1nn2CCCc2c1)CNC(=O)C(=CN)C=NC(C)(C)C	PC-id_163811835	472.27	WHYMHCYTSAUEKE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148712
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)C5CCN(CC5)C)N	PC-id_154689219	472.275	OPXGMPONZUBUBK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148713
CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=C4CCCN4N=C3)CCC(=O)N5CCC(C5)C(C)(C)C	PC-id_161788443	472.295	DUOPQEFTTMJTKY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148714
Clc1c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_3450044	472.339	XAIJFVLCPPWBRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148715
CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(Cl)cc3)/sc12	ZINC22_33440943	472.34	QSSILHIAEMIAGG-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148716
CCOC(=O)c1cc(n2c1sc(=Cc1ccc(cc1)Cl)c2=O)C(=O)c1ccc(cc1)Cl	MCULE-6180928174,EMOLS-id_26199688	472.34	QSSILHIAEMIAGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148717
Brc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)cc1	PC-id_16947884	472.355	LPDFGKVUTHWJEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148718
Brc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)ccc1	PC-id_16947883	472.355	MXGJNXONYZJRRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148719
COc1cc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324905487	472.355	DWJNUFLFKPLZJX-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148720
COc1ccc(CCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1OC	EMOLS-id_324890634	472.355	QROSTBKNVFHNKI-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148721
COc1ccc(CCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1OC	EMOLS-id_324893196	472.355	JWSIPHWXAHTJNU-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148722
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)cc1	EMOLS-id_324891137	472.355	KJXDHNKCRQZFIY-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-148723
COc1ccc(OCCCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)cc1	EMOLS-id_324893699	472.355	HLHVCFQAOPMMFJ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-148724
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-1338842084	472.355	KJXDHNKCRQZFIY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148725
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-6285234902	472.355	JWSIPHWXAHTJNU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148726
n12nc(nc1sc(=Cc1ccc(cc1)Br)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-7513770939	472.355	QROSTBKNVFHNKI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148727
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCCOc1ccc(OC)cc1	MCULE-8170515982	472.355	HLHVCFQAOPMMFJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148728
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)CCc1ccc(cc1)C	MCULE-5788286096	472.355	DWJNUFLFKPLZJX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148729
COc1ccc(cc1I)C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2	PC-id_4955480,GD-id_ZINC14041129	483.346	PILOVAHXTPSEPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151509
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C(=O)N)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	PC-id_134302948,SCHEMBL19920666	472.365	YTPOIEAZKWCOFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148730
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1cccs1	MCULE-8948141542	472.367	CKUZLPXPRNYVGC-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-148731
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1cccs1	MCULE-8640581879	472.367	XEXCLPBKYBKPMB-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-148732
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1cccs1	MCULE-6301484650	472.367	FQBGMQGEUHJHGF-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-148733
Brc1c(S(=O)(=O)NCCC(=O)NNC(=O)c2sc3CCCc3c2)cccc1	PC-id_24540853	472.377	WKLFAAAMNLTSPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148734
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-7369379100,PC-id_73468641	472.387	FJGKZXSAVGMFIL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148735
Clc1c(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)ccc(Cl)c1	PC-id_18883974	472.387	FJGKZXSAVGMFIL-VQHVLOKHSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148736
s1c2c(CCC2)c(c1NC(=S)Nc1c(F)c(F)c(c(F)c1F)C(F)(F)F)C(=O)OC	PC-id_20170422	472.4	GMNVXHCIZUIKEC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148737
CCCCCCCCCCCCC(CCCCCCCCCC)CN1C=C2C(=C1O)C=NC2=O	PC-id_153915941	472.403	GFPOPMZRVKEPNW-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-148738
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)c(Cl)cc1Cl	PC-id_44324363,BindingDB_PC-id_44324363,BindingDB-id_154662,CHEMBL90847	472.408	STQYYYYZFGYGKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148739
N#Cc1cc(ccc1F)NC(=O)c1c(C)c(n2c1CCC2)C(=O)C(=O)NC1(C=O)CC(C1)(F)F	PC-id_139444829,SCHEMBL21307641	472.417	OCYDBMDAQNZDLD-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-148740
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1F	PC-id_134285246,SCHEMBL19900961,BindingDB-id_799413	472.42	QMHZTQOYPKXGJC-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148741
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(F)c(F)cc1F	SCHEMBL19900831,PC-id_134285129,BindingDB-id_799396	472.42	NEFGBDKPCLFXOX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148742
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(F)c(F)c(F)c1	SCHEMBL19900964,PC-id_134285248,BindingDB-id_799332	472.42	USONUYOVXRBMND-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148743
CCOC(=O)c1c(NC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCC2	ZINC22_9882819,PC-id_16268674,MCULE-5824083893,EMOLS-id_11666223,CoCoCo_2980418	472.435	VBWYDNLWRDDNHC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148744
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(F)c(F)c2F)sc2c(CCC2)c1C#N	MCULE-5455301997,EMOLS-id_321804159	472.44	QJTGYIIEKSCVJD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148745
O=CN(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)F)C(=O)c1ccccc1)c1ccc(cc1)F	PC-id_141257346	472.443	RPJSZLCPFAUPTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148746
FC(F)(c1nn2c(C(C(=C2/C=C/c2ccccc2)C)(C)C)c1C(=O)c1ccccc1)C(F)(F)F	PC-id_16080296	472.45	PHBCGUJYGGZSPX-CCEZHUSRSA-N	00000011100000110001000010000000000000000000000000000000	25-01-148747
FC(F)(c1nn2c(C(C(=C2C=Cc2ccccc2)C)(C)C)c1C(=O)c1ccccc1)C(F)(F)F	PC-id_73235539	472.45	PHBCGUJYGGZSPX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-148748
COCCN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)C1=CCC=C(C(=C1C(F)(F)F)F)F	PC-id_144955074	472.452	KWEKLXHEUMYNIM-UHFFFAOYSA-N	00000010100010000111100010000000000000000000000000000000	25-01-148749
O=C(N1Cc2c(C1)[nH]nc2C(N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F)O)C(C)C	SCHEMBL21334034,PC-id_139468237	472.452	AWRASTORUBLXQJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148750
P(=O)(OCC)(OCC)c1c2c(n(NP(=O)(c3ccccc3)c3ccccc3)c1C)CCC2	PC-id_15890042	472.454	KWDUUMQHVKIRGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148751
Cc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740016	472.46	MXSMTPGGTGOGEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148752
Cc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740085	472.46	RVXCKGZRGFRHNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148753
Cc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740014	472.46	MXSMTPGGTGOGEP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148754
Cc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740082	472.46	RVXCKGZRGFRHNO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148755
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1)C	SCHEMBL18758560	472.46	NRPULZBHLYDYQF-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148756
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18739978	472.46	RSKIBDQHGSLIQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148757
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18739977	472.46	RSKIBDQHGSLIQR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148758
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_24326711	472.471	DNPLSNYPKQACHI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148759
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_51438453	472.471	DNPLSNYPKQACHI-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148760
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_51438454	472.471	DNPLSNYPKQACHI-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148761
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-5858909133	472.473	BOQDVCPOEQDNNA-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-148762
c1(NC(=O)COc2cccnc2NC(=O)NCC(=O)NCC(=O)O)sc2c(CCC2)c1C#N	MCULE-4589226765,EMOLS-id_321875322	472.474	TVKYZHCYMACOEC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148763
Cc1ccc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C	SCHEMBL20252906,PC-id_134599005	472.484	QLHRDEMGUZEJSQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-148764
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cccc(c1)C(F)F	PC-id_134302947,SCHEMBL19920665	472.488	QVKOMWSHIJLIFJ-WJDWOHSUSA-N	00100010100000110000000010000000000000000000000000000000	25-01-148765
FC(c1cccc(c1)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)C1CNNN1)F	PC-id_146047459	472.488	LORKJCQBJLHHMJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-148766
Cc1c(C(=O)C(=O)NC2(C)CS(=O)(=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(c1)C#N	SCHEMBL20253024,BindingDB-id_799327,PC-id_134599117	472.489	ZOYMCKRZGKUKJJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-148767
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)Oc1ccc([N+](=O)[O-])cc1)C1C[n+]2n(C1)cnc2	PC-id_78093711	472.494	YOJAKYYGTJKXAL-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-148768
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)Oc1ccc([N+](=O)[O-])cc1)C1C[n+]2n(C1)cnc2	PC-id_71514074	472.494	YOJAKYYGTJKXAL-YLGOIMDESA-N	00001011100000110001001010000000000000000000000000000000	25-01-148769
CCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	SCHEMBL2162483,PC-id_24772472	472.496	CNIHCKUZJNJSSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148770
CC(NC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)C	SCHEMBL2162206,PC-id_24772681	472.496	VJZHUHDNPCJFKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148771
Fc1ccc(c(c1)F)[C@]([C@H](N1Cc2c(C1=O)sc(c2)C#CC(O)(C)C)C)(Cn1cncn1)O	PC-id_141459153	472.508	YHPWZEMOTXVDSJ-QKFKETGDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148772
CCOC(=O)c1cnn(c1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccccc1F	EMOLS-id_328222588,MCULE-5150045423	472.511	ZAQKKXVAMKFGCX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148773
C1c2c(CN1Cc1cc(c(cc1)C#N)F)sc(n2)NS(=O)(=O)c1ccc(cc1)CC(=O)O	PC-id_134170864,SCHEMBL19772034	472.512	JWVYQICDXRDXFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148774
c1(N(=O)=O)c(C)nn(Cc2ccc(C(=O)Nc3sc4c(CCC4)c3C(=O)OC(C)C)o2)c1C	SPECS-id_AK-968/12384273,ZINC22_2487629,MCULE-8586458205,PC-id_3273330,CoCoCo_1859371,EMOLS-id_2577181	472.514	DMORMEJKCAWOAA-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-148775
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1[nH]nc(c1)c1cc(OC)c(c(c1)OC)OC	PC-id_121083887	472.514	FJZIOTHGERSCIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148776
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1OC	CoCoCo_3158552,PC-id_26007057,ZINC22_14241958	472.514	UWJPHVWLHLYKDU-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148777
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1OC	PC-id_26007058,CoCoCo_3158551,ZINC22_14241959	472.514	UWJPHVWLHLYKDU-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148778
COc1ccc(cc1OC)C1(C)NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_17571555,EMOLS-id_13562290,MCULE-7418422903	472.514	UWJPHVWLHLYKDU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148779
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)c1c([N+](=O)[O-])cccc1)C(=O)N	PC-id_32037215	472.514	VWBRTHFKHIZDCE-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-148780
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCC(=O)N)cc1)C)C(=O)OCC	PC-id_19659817	472.514	IXIXUYMRAUCEIF-BRJLIKDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148781
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCC(=O)N)cc1)C)C(=O)OCC	PC-id_73634295	472.514	IXIXUYMRAUCEIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148782
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC(=O)NCc2occc2)C1	PC-id_44053218	472.514	RTLADTDWVCLICS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-148783
c1(NC(=O)COc2nonc2CC(=O)NCCCN2CCCC2=O)sc2CCCc2c1C#N	MCULE-3733204367,EMOLS-id_333684318	472.517	FRCHNPPSCRHORM-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148784
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)F)C(=O)Nc1ccc(cc1)Oc1ccccc1	MCULE-6635828210,PC-id_3424284,CoCoCo_5962699,EMOLS-id_8599644,ZINC22_13940679	472.531	WBBQKINBDQXWFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148785
Fc1ccc(c(c1)F)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)C1CCC1	PC-id_59508311,SCHEMBL6376538	472.531	YYHJJJARGBBPDB-AWEZNQCLSA-N	00001010100010110001100010000000000000000000000000000000	25-01-148786
Fc1ccc(c(c1)F)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CC1	PC-id_59508193,SCHEMBL6376529	472.531	XVCMZTYBJCARND-AWEZNQCLSA-N	00100010100010110001000010000000000000000000000000000000	25-01-148787
Fc1c(C(=O)Nc2n[nH]c3C(N(C(=O)N4C(CN(C5CCC5)CC4)C)Cc23)(C)C)ccc(F)c1	PC-id_72310444	472.531	YYHJJJARGBBPDB-UHFFFAOYSA-N	00001010100010110001100010000000000000000000000000000000	25-01-148788
Fc1c(C(=O)Nc2n[nH]c3C(N(C(=O)N4C(CN(CC5CC5)CC4)C)Cc23)(C)C)ccc(F)c1	PC-id_72310332	472.531	XVCMZTYBJCARND-UHFFFAOYSA-N	00100010100010110001000010000000000000000000000000000000	25-01-148789
CCCC[C@]1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(cc1)F	CoCoCo_3632737,PC-id_38862245	472.532	XVOPRUWYDFUZCW-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148790
CCCC[C@@]1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccc(cc1)F	PC-id_38862248,CoCoCo_3632736	472.532	XVOPRUWYDFUZCW-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148791
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCCC)c1ccc(F)cc1)C(=O)N	PC-id_42915161	472.532	XVOPRUWYDFUZCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148792
CCOC(=O)n1nc2c(c1NC(=O)Cc1ccc(cc1)OC)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_58015599,SCHEMBL1205737	472.534	IVDPUCMTZUGMJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148793
O(CC1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)C1OCCCC1	PC-id_67274594,SCHEMBL2090513	472.534	HAYBWUWQMZZANA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148794
O(CC1CCN(CC1)c1ccc(OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)C1OCCCC1	SCHEMBL2090510,PC-id_67274593	472.534	HAYBWUWQMZZANA-SYIFMXBLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148795
O(CC1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)[C@H]1OCCCC1	PC-id_67274591,SCHEMBL2090507	472.534	HAYBWUWQMZZANA-LETIRJCYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148796
CN(CC(c1nccs1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	SCHEMBL1205886,PC-id_58015614	472.536	GRKLIQBSOWUYTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148797
CN(CCNc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)C	SCHEMBL4283521,PC-id_24751473	472.536	ZRLJUVBYNZXQEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148798
c1(NC(=O)COc2cn(c(cc2=O)C)CCN2C(=O)CSC2=O)sc2CCCc2c1C#N	EMOLS-id_331632325,MCULE-2183200272	472.537	QFFPGJLXHTWKMJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-148799
COc1ccc(C2=NS(=O)(=O)N(C)C(=C2)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC	PC-id_17253760,TIMTEC109487,MCULE-4879828300,CoCoCo_2302463,ZINC22_9290139,EMOLS-id_16141435	472.537	CTUXQIZEUBTAEI-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148800
COc1ccc(OC)c(c1)C1=NS(=O)(=O)N(C)C(=C1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-5351788478,ZINC22_20219963,TIMTEC47539,EMOLS-id_21980535,PC-id_17253800	472.537	ALUCAMWWNZYCSP-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148801
COC(=O)c1c(NC(=O)C2=C(C)NC(=S)NC2c2ccc(cc2)[N+](=O)[O-])sc2c1CCC2	MCULE-9972838039,EMOLS-id_15231774,PC-id_3569911	472.537	KMNKBASZDWWFDE-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148802
COC(=O)c1c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	CoCoCo_3608479,ZINC22_12565930,PC-id_25361575	472.537	KMNKBASZDWWFDE-QGZVFWFLSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148803
COC(=O)c1c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	ZINC22_9540522,CoCoCo_3608478,PC-id_41114956	472.537	KMNKBASZDWWFDE-KRWDZBQOSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148804
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(nc(nc1SC)c1occc1)C)C(=O)N	PC-id_46542944	472.537	NPOQTNPUHWIASZ-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-148805
s1c2CCCc2c(c1NC(=O)CSc1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C#N	PC-id_16536547	472.537	YURZQTZGMJUKRS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148806
O(C(C(=O)n1cc2C(NNc2c1)NC(=O)c1ccc(N2CCN(C=C2)C)cc1)c1ccccc1)C	PC-id_73321190	472.539	OOEKRGKISQRATJ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148807
O([C@@H](C(=O)N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(C=C3)C)cc2)C1)c1ccccc1)C	PC-id_42627543	472.539	PVSSEUGGSWMLRN-HSZRJFAPSA-N	00000010100011110001100010000000000000000000000000000000	25-01-148808
s1c2c(CCC2)c(c1NC(=S)NCCCn1nc(cc1C1CC1)C(F)(F)F)C(=O)OC	PC-id_20174867	472.547	NNJHSTGSMLXEAW-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-148809
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(=O)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4888420400	472.554	PTIKNMBLBPRIPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148810
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(OC(=O)C)c(OC)c2)sc2CCCc12	EMOLS-id_334385175	472.554	PTIKNMBLBPRIPD-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148811
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OCC)c(OCCC)cc1)C(=O)N	PC-id_4010144	472.554	CPWXWGZCBBXEJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148812
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OCC)c(OCCC)cc1)C(=O)N	PC-id_5985619	472.554	CPWXWGZCBBXEJM-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148813
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1cc(ccc1)C)C(C)C)C(=O)OC	PC-id_51581222	472.554	HQDQFNBSFIBURY-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148814
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(cc1)C)C(C)C)C(=O)OC	PC-id_51589579	472.554	OKDFXAFHRSIFBY-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148815
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(cc1)C)C(C)C)C(=O)OC	PC-id_51918583	472.554	OKDFXAFHRSIFBY-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148816
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1cc(ccc1)C)C(C)C)C(=O)OC	PC-id_51921147	472.554	HQDQFNBSFIBURY-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148817
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccc(cc1)C)C(C)C)C(=O)OC	PC-id_45618418	472.554	OKDFXAFHRSIFBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148818
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1cc(ccc1)C)C(C)C)C(=O)OC	PC-id_45621615	472.554	HQDQFNBSFIBURY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148819
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_41576156	472.554	HMNPUWZHFVIBIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148820
s1c2c(CCC2)c(C(=O)OCC(=O)N2C(CC(=O)CC2(C)C)(C)C)c1NC(=O)c1occc1	PC-id_24594240	472.554	BKRVIRRXXZOYGQ-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-148821
CC1(C(=C=O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N)NCCC1(CC=CC=C1)C(=O)OC	PC-id_88466383	472.556	IANDRQPNFVLAGL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-148822
COC(=O)[C@]1(CCN[C@@]2(C)C(=C=O)c3c(S2(=O)=O)sc(c3)S(=O)(=O)N)CC=CC=C1	SCHEMBL9459490	472.556	IANDRQPNFVLAGL-MSOLQXFVSA-N	00000010100011000000000010000000000000000000000000000000	25-01-148823
COC(=O)[C@H](c1ccccc1)CNC(=O)C1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_67856037,SCHEMBL9458982	472.556	JOWVRANFPSWDJY-FVRDMJKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148824
COC(=O)[C@H](c1ccccc1)CNC(=O)[C@@]1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_67856057,SCHEMBL9459128	472.556	JOWVRANFPSWDJY-SCLBCKFNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148825
COC(=O)[C@H](c1ccccc1)CNC(=O)[C@]1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N	SCHEMBL9459375,PC-id_67856078	472.556	JOWVRANFPSWDJY-UGSOOPFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148826
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNS(=O)(=O)c1sccc1)C(=O)OCC	PC-id_55623961	472.556	IJBSPHCUNWFLJI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-148827
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)CC=C)C(=O)OC	PC-id_17265197	472.556	TVEJPKANBVPTGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148828
S1(=O)(=O)C(Cc2c1sc(S(=O)(=O)N)c2)(C)C(=O)NCC(c1ccccc1)C(=O)OC	PC-id_77367404	472.556	JOWVRANFPSWDJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148829
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCO)sc2CCCc2c1C#N	EMOLS-id_331931422,MCULE-3028496056	472.557	VKJYQIRMASTYPN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-148830
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCOC)sc2CCCc2c1C#N	MCULE-5563196572,EMOLS-id_331923228	472.557	NMUNXBQKMMSPSE-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-148831
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCO)sc2CCCc2c1C#N	MCULE-1911784150,EMOLS-id_331930386	472.557	XLPSTIOIGIZUFZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148832
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CC(C)O)sc2CCCc2c1C#N	MCULE-7464369519,EMOLS-id_331923485	472.557	PLLSGZWLRXLQAJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148833
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCOC)sc2CCCc2c1C#N	EMOLS-id_331921686,MCULE-2115107631	472.557	RNUGIDQWMDVMJK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-148834
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CC=C)sc2CCCc2c1C#N	EMOLS-id_331925779,MCULE-4107322712	472.557	AOTXZLYIIKXDEQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148835
c1(NC(=O)C(=O)NN=Cc2ccc(cc2[O-])[NH+](CC)CC)sc2c(CCC2)c1C(=O)OCC	MCULE-1056763708,PC-id_4916544	472.557	ZPAMIDQZZVNTAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148836
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CCC1)(C(=O)NO)S(=O)(=O)C	PC-id_135315429,SCHEMBL20484905	472.557	YSYKHEVQZZOXPG-HSZRJFAPSA-N	00001010100000000001100010000000000000000000000000000000	25-01-148837
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CC1CC1)(C(=O)NO)S(=O)(=O)C	PC-id_135315197,SCHEMBL20484637	472.557	AKFZMCNFMDSKTE-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-148838
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)NCCc1ccccc1	SCHEMBL14055217,PC-id_89236718	472.557	KLOANGMWKKHOFH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148839
CCN(CC)c1cc(c(cc1)/C=NNC(=O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OCC)O	PC-id_136846256	472.557	ZPAMIDQZZVNTAO-CFRMEGHHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148840
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(cc2O)N(CC)CC)sc2c1CCC2	PC-id_135484303,STOCK4S-76779,EMOLS-id_26349738	472.557	ZPAMIDQZZVNTAO-ZMOGYAJESA-N	00000010100000110000000010000000000000000000000000000000	25-01-148841
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C1CCC1)C	SCHEMBL20484907	472.557	YSYKHEVQZZOXPG-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-148842
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)CC1CC1)C	SCHEMBL20484636	472.557	AKFZMCNFMDSKTE-HSZRJFAPSA-N	00101010100000000001000010000000000000000000000000000000	25-01-148843
s1c2c(CCC2)c(c1NC(=O)CN(CC)CC(=O)Nc1ccc(NC(=O)C)cc1)C(=O)OC	PC-id_24427860	472.557	FLFGUUQSDBSUII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148844
s1c2c(CCC2)c(c1NC(=O)C(=O)NN/C=C
/C(=O)C=C(N(CC)CC)C=C1)C(=O)OCC	PC-id_6298394	472.557	MWBSYRXBWWKXFV-BUHFOSPRSA-N	00000010100011000000000010000000000000000000000000000000	25-01-148845
s1c2c(CCC2)c(c1NC(=O)C(=O)NNC=C1C(=O)C=C(N(CC)CC)C=C1)C(=O)OCC	PC-id_6848350	472.557	MWBSYRXBWWKXFV-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-148846
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)c1ccccc1)C(=O)O	PC-id_76479157	472.557	HODPUWMJGBVIAZ-UHFFFAOYSA-O	00001011100000110001001010000000000000000000000000000000	25-01-148847
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)cc2)CC(=O)NCC2OCCC2)C1	PC-id_44053172	472.557	LVHKBYVDQZEQFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148848
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)CC(=O)c1ccccc1)C(=O)O	PC-id_57045942	472.557	HODPUWMJGBVIAZ-VEVULQRVSA-O	00001011100000110001001010000000000000000000000000000000	25-01-148849
c1(NC(=O)c2[nH]nc(c3ccccc3O)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1183347460	472.559	OEUDYOIERMVFIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148850
Cc1c(NC(=O)c2cccc(NC(=O)c3cc4c(s3)CCC4)c2)c(=O)n(c2ccccc2)n1C	EMOLS-id_43816808,PC-id_17550821,ZINC22_8777412,MCULE-9111557650,CoCoCo_3233795	472.559	RYWWASPWBJMXQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148851
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1	EMOLS-id_328216702,MCULE-1392364593	472.559	LQLUBRQNFWFKOT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-148852
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C=CC=C2)/NN1)C(=O)NCCc1ccccc1	PC-id_5612014	472.559	OUMKAXGWILRRCV-ZPHPHTNESA-N	00000011100011110001100010000000000000000000000000000000	25-01-148853
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C=CC=C2)NN1)C(=O)NCCc1ccccc1	PC-id_6775010	472.559	OUMKAXGWILRRCV-UHFFFAOYSA-N	00000011100011110001100010000000000000000000000000000000	25-01-148854
S1Cc2c(n(nc2C1)CC(=O)NCc1occc1)NC(=O)C(c1ccccc1)c1ccccc1	PC-id_44053232	472.559	HRQRBHIQULGVCG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-148855
S1Cc2c(nn(c2NC(=O)Cc2ccc(cc2)c2ccccc2)CC(=O)NCc2occc2)C1	PC-id_44053326	472.559	LLZKPPFBDTVIDE-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-148856
c1(NC(=O)CSc2scc(c3ccc(c(c3)N(=O)=O)OC)n2)sc2c(CCC2)c1C#N	MCULE-5814302462,EMOLS-id_324870482	472.56	NZVKGZREYITEQM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148857
c1(NC(=O)COc2nonc2CC(=O)NCCCCN2CCCC2)sc2CCCc2c1C#N	MCULE-5655185756,EMOLS-id_333687633	472.561	VPURKHKMFFVCDZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-148858
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NCc1ccc(F)cc1)C)C(=O)N	PC-id_55838804	472.575	VPXOQQIGFRFHBK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-148859
CC1(c2c(CN1C(=O)Nc1c(cccc1F)C#N)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348561,PC-id_135195431	472.579	VPXMMBPLWDLMOY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148860
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1	ZINC22_35414036,CoCoCo_3593271,PC-id_16321760,EMOLS-id_11754848,MCULE-2537553618	472.58	VSHJLVHLXYHSBL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148861
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1cc(=O)n(cc1)C	PC-id_134170929,SCHEMBL19772102	472.58	LNOFJKUINQEVTN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-148862
CN(C[C@H](C1CC=CC=C1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1OCCN(C1)C)C	PC-id_143492454	472.58	CHALYHLGLSJTDR-CUYAVPTFSA-N	00000010100011000001000010000000000000000000000000000000	25-01-148863
COc1cc(ccc1NC(=O)NC(c1ccccc1)C)S(=O)(=O)Cc1sc2c(n1)CNC2	SCHEMBL19377644	472.58	SLTFWOXBARIEKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148864
COc1cc(ccc1NC(=O)N[C@H](c1ccccc1)C)S(=O)(=O)Cc1sc2c(n1)CNC2	SCHEMBL19377642	472.58	SLTFWOXBARIEKI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148865
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccccc1)C(=O)OC	PC-id_19733236	472.58	IKFNWBSFPHSJJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148866
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC)C(=O)OC	PC-id_19730783	472.58	WPMUULYFHVLDBF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148867
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)C)C(=O)OCC	PC-id_19730733	472.58	RPDLCEBXEVOPGJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148868
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)C)C(=O)OC	PC-id_19732157	472.58	JBHKXAUAMJNGBE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148869
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC)C(=O)OC	PC-id_19730589	472.58	HNBDONAYZXEYAO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148870
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)C)C(=O)OCC	PC-id_17301670	472.58	INEVVIKXJDUTFR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148871
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC=C)C(=O)OCC	PC-id_19726220	472.58	DSNZOSNRNAWPCC-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-148872
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC)C(=O)OC	PC-id_19730389	472.58	QBFZCEMMXLRKGB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148873
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)C)C(=O)OCC	PC-id_17301628	472.58	JJWIVGCULINHEM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148874
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)C)C(=O)OC	PC-id_17302006	472.58	ARKOSALAFQWBGS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148875
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)C)C(=O)OC	PC-id_20123745	472.58	JVVYKYAFHBRPIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148876
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)C)C(=O)OC	PC-id_17304514	472.58	UBZMGMUUZCOSPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148877
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)C)C(=O)OC	PC-id_19634788	472.58	VJTQLZASZCKSIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148878
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)C)C(=O)OC	PC-id_21164909	472.58	WQSJGIDOYYJYOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148879
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)C)C(=O)OC	PC-id_21165116	472.58	CSUJINOYNRILAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148880
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)C)C(=O)OCC	PC-id_19733168	472.58	CCOVOFRCZUPMCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148881
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COC)c1ccccc1)C(=O)OCC	PC-id_17137035	472.58	JKEVVHQXMDYQFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148882
CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C	SCHEMBL2923943,PC-id_11408844	472.582	BMZPZTXQOBQZMP-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148883
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Cc1ccccc1	SCHEMBL1983212,PC-id_24945894	472.582	FFGHDSRZRRPJHA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148884
CN1CCN(C(C1)Cc1ccccc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	SCHEMBL598178,PC-id_66739110	472.582	ZAPOBHNIFWLOBO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148885
CN1CCN(CC1C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C	PC-id_11178939,SCHEMBL2923396	472.582	SEAHHWDUTXTRGV-MUMRKEEXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148886
CN1CCN([C@H](C1)Cc1ccccc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1	SCHEMBL598177,PC-id_66739109	472.582	ZAPOBHNIFWLOBO-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148887
O=C(c1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CCCN(C1)Cc1ccccc1	SCHEMBL1206578,PC-id_58015673	472.582	WQHRYDZOXBOPSH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148888
O=C(c1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN1CCCC1	SCHEMBL1206423,PC-id_58015613	472.582	XRDMSNCNLATVPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148889
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)Cc1cc(cc(c1)C)C	PC-id_71654879	472.582	NZKHEWHHVUKMCO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148890
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)Cc1c(ccc(c1)C)C	PC-id_71654880	472.582	FAHNWDHVWRHFQB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148891
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)C(c1ccc(cc1)C)C	PC-id_71654956	472.582	HZXRYTNOZNVFBW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148892
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccs1	PC-id_24751469,SCHEMBL4280856	472.584	DHNRIRGQQDQIGC-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-148893
COCCn1c(nnc1c1ccncc1)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	SCHEMBL21045433,PC-id_16378604,EMOLS-id_43973141,MCULE-8535649048	472.584	DWCYIZYRVJLSTI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-148894
COCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccncc1	PC-id_41319964,ZINC22_10021802,CoCoCo_4172693	472.584	DWCYIZYRVJLSTI-LBPRGKRZSA-N	00000010100000101001100010000000000000000000000000000000	25-01-148895
COCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1c1ccncc1	PC-id_41319975,ZINC22_10021814,CoCoCo_4172692	472.584	DWCYIZYRVJLSTI-GFCCVEGCSA-N	00000010100000101001100010000000000000000000000000000000	25-01-148896
CS(=O)Nc1scc(n1)C(=O)N1Cc2c(C1)c(n[nH]2)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_141251727	472.584	NLMIGDQSNKFGRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148897
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(N2CCCC2)nn1)Cc1occc1)C(=O)N	PC-id_16586822	472.584	VYOIWILGNYVWQX-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-148898
Cc1c(ccc(c1)c1cc(ncn1)Nc1nn2CCCc2c1)CNC(=O)/C(=C/N)/C=NC(C)(C)C	PC-id_134421064	472.585	WHYMHCYTSAUEKE-XNYIMSDZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148899
N#Cc1c(NC(=O)CSc2nnc(c3cccnc3)n2Cc2ccccc2)sc2c1CCC2	ZINC22_9056144,EMOLS-id_11746025,PC-id_16315950,MCULE-5099279137,CoCoCo_3635817	472.585	PIMKVOJPMXXIAN-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-148900
N#Cc1c(NC(=O)CSc2nnc(c3ccncc3)n2Cc2ccccc2)sc2c1CCC2	MCULE-7374310449,EMOLS-id_11748165,CoCoCo_3635816,ZINC22_13117145,PC-id_16317335	472.585	WBWDXRHRCWHLAT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-148901
N=C/C(=CNC(C)(C)C)/C(=O)NCc1ccc(cc1C)c1ncnc(c1)Nc1nn2c(c1)CCC2	SCHEMBL20054057	472.585	NNXZPGYWGNCGEC-OBMUYVBMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148902
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334337696,MCULE-5883689219	472.597	DOGMUYRAAQIJJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148903
c1(NC(=O)C(=Cc2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2537038615	472.599	WBWVGHXSMZRPQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148904
O=C(Nc1sc2CCCc2c1C(=O)NCC1CCCO1)/C(=Cc1ccccc1)/c1ccccc1	EMOLS-id_334334887	472.599	WBWVGHXSMZRPQW-QJOMJCCJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148905
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331923998,MCULE-5942629958	472.6	LSINNGGVNCXBDJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148906
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCO)sc2CCCc2c1C#N	EMOLS-id_331929886,MCULE-1354211203	472.6	PVFMWZIHUBSBIT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148907
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCO)sc2CCCc2c1C#N	EMOLS-id_331930899,MCULE-4269328628	472.6	PDVGDXLGJOOPIW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148908
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCO)sc2CCCc2c1C#N	MCULE-3032632333,EMOLS-id_331930653	472.6	ZGBUFYUXFHACKE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148909
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCCCO)sc2CCCc2c1C#N	MCULE-3198770726,EMOLS-id_331934484	472.6	OQKGVIDARZOSRF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148910
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331921949,MCULE-8666129257	472.6	AQLCRBIBSHOKQB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148911
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCOC)sc2CCCc2c1C#N	EMOLS-id_331922199,MCULE-2612418691	472.6	RGAZNQAFGITFBP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148912
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CC)sc2CCCc2c1C#N	EMOLS-id_331925270,MCULE-5428559254	472.6	JTGYPDHVHSBGAE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148913
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-6629601691,EMOLS-id_331927574	472.6	YLHZWPXJJOFZMR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148914
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CC(C)C)sc2CCCc2c1C#N	MCULE-1075121110,EMOLS-id_331919382	472.6	ICYINWKWHISRAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148915
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCC)sc2CCCc2c1C#N	MCULE-4423323789,EMOLS-id_331919386	472.6	QSFVYRWMCAYHSP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148916
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331929105,MCULE-3388159265	472.6	MBYDNCXCRNIOQD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148917
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCC(C)C)sc2CCCc2c1C#N	MCULE-6478741639,EMOLS-id_331923986	472.6	GHWFODNTAOTTCJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-148918
CCOc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3CCCc23)cc1	CoCoCo_866990,ChEMBL-DNDi_CHEMBL1521990,BindingDB-id_110386,CHEMBL1521990,BindingDB_PC-id_2922988,PC-id_2922988	472.6	ILWVBZVJGZUXOY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148919
COc1ccc(cc1)OCCN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-5555901583,PC-id_16335472,EMOLS-id_13416041	472.6	YOSJTGMUWNYFRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148920
COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	CoCoCo_4225797,ZINC22_22920240,PC-id_30728871,CoCoCo_4225795	472.6	YOSJTGMUWNYFRQ-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148921
COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	ZINC22_22920245,CoCoCo_4225794,CoCoCo_4225796,PC-id_30728876	472.6	YOSJTGMUWNYFRQ-MRXNPFEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148922
O=C([C@@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C)Nc1ccnn1C(C)C	GD-id_ZINC10932192	472.6	XCODDCQHCKXNSL-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-148923
O=C(N(C1CCCC1)Cc1nn(c2c1CCC2)C)c1ccc(cc1)S(=O)(=O)N1CCOCC1	PC-id_92109824	472.6	UOFZDCYBZFIIIJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148924
s1c2c(CCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)C)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_2297522	472.6	VBRPYDLPLNONJE-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-148925
s1c2CCC(C(=O)N3CCN(CC3)C/C=C/c3ccccc3)c2nc1NC(=O)c1ccccc1	PC-id_16947161	472.602	XFRKRVIUCLLFOD-JXMROGBWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148926
s1c2CCC(C(=O)N3CCN(CC3)CC=Cc3ccccc3)c2nc1NC(=O)c1ccccc1	PC-id_73340147	472.602	XFRKRVIUCLLFOD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148927
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1CCCCC1)NCc1nnc2n1CCC2	CoCoCo_4574128,PC-id_17467968	472.604	GBZICGXXXWVLAP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-148928
s1c2CCCc2c(c1NC(=O)CCN(CC(C)C)c1c(n(CCCC)c(=O)[nH]c1=O)N)C#N	PC-id_56101496	472.604	LWZJZKWSWPYLSZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-148929
S(=O)(=O)(C1C(NNC1NN=C1C(=Nn2c1nnc2C)C(C)(C)C)C(C)(C)C)c1ccccc1	PC-id_72243402	472.607	PFXJJUAFAOKDOM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-148930
S(=O)(=O)(C1C(NNC1NN=C1C(=Nn2nc(nc12)C)C(C)(C)C)C(C)(C)C)c1ccccc1	PC-id_72243395	472.607	DFUWWXFBRITPMH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-148931
CC(CC=C(C)C)C(=O)C=CC1C(Cc2c1cc(o2)CCCCC(=O)OC)OC1CCCCO1	PC-id_88703644	472.614	BDZLBQDPBMCXLT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-148932
COC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)OC1CCCCO1)/C=C/C(=O)C(CC=C(C)C)C	SCHEMBL10963883,PC-id_70481778	472.614	BDZLBQDPBMCXLT-ZVGRLEEUSA-N	00000010100010000000000010000000000000000000000000000000	25-01-148933
COC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)OC1CCCCO1)C=CC(=O)C(CC=C(C)C)C	SCHEMBL10992028,PC-id_57319644	472.614	BDZLBQDPBMCXLT-VHGBTZRWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-148934
COC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)OC1CCCCO1)C=CC(=O)[C@H](CC=C(C)C)C	SCHEMBL10992024,PC-id_70487641	472.614	BDZLBQDPBMCXLT-DFLNDDCTSA-N	00000010100010000000000010000000000000000000000000000000	25-01-148935
CSCCC(=O)N(C(C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2)Cc1ccccc1F)C	ChEMBL-DNDi_CHEMBL59173655	472.619	SINNNKKJVQNTAS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148936
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053663	472.619	MMFQLBUGPUSDIT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148937
O=C(N[C@H]1CC(=O)c2c1ccs2)CCCCCCCCC(=O)N[C@H]1CC(=O)c2c1ccs2	NSC737074	472.62	QYOZKVIQXGGGTH-ROUUACIJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148938
s1c2c(C(NC(=O)CCCCCCCCC(=O)NC3CC(=O)c4sccc34)CC2=O)cc1	PC-id_24205885	472.62	QYOZKVIQXGGGTH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-148939
s1c(NC(=O)C[NH+]2C(CCCC2)CC)c(c2c1CCC2)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_74514434	472.62	AZJHOQQMFRLBJJ-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-148940
s1c(NC(=O)C[NH+]2[C@@H](CCCC2)CC)c(c2c1CCC2)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_26875327	472.62	AZJHOQQMFRLBJJ-MRXNPFEDSA-O	00000010100010110000000010000000000000000000000000000000	25-01-148941
s1c(NC(=O)C[NH+]2[C@H](CCCC2)CC)c(c2c1CCC2)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_26875329	472.62	AZJHOQQMFRLBJJ-INIZCTEOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-148942
CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1	CoCoCo_3578796,PC-id_3443144,EMOLS-id_48934125,ZINC22_36321450,MCULE-3009310996	472.623	CQDLWTGQUFUJSZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148943
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)c1c(cc(cc1)C)C	PC-id_24680079	472.623	RTVFXHBCQREIBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148944
c1(NC(=O)CN2CCN(CC2)c2nc(CSC(C)C)cc(=O)[nH]2)sc2c(CCC2)c1C#N	MCULE-7774151194,EMOLS-id_322524003	472.627	FVEYJPXBKJHRSQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-148945
COC(c1ccccc1F)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817123	472.628	XCQLWVYHVCBCOT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148946
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccc(cc1)F	PC-id_140817028	472.628	VGJIITSMLTYIEG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148947
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1cccc(c1)F	PC-id_140817104	472.628	IYEWUCFQEXYMKE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148948
CO[C@H](c1ccccc1F)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141487856	472.628	XCQLWVYHVCBCOT-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148949
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7238566223,EMOLS-id_334387481	472.64	DVPDPAZJPNVJEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148950
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1917603430	472.642	XEYCZVXUAQSMPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148951
CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334330789	472.642	XEYCZVXUAQSMPW-SAPNQHFASA-N	00000010100000110000000010000000000000000000000000000000	25-01-148952
CCOC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19542221	472.643	YWNKXBJGSVCACG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148953
CCO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19537473	472.643	YWNKXBJGSVCACG-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148954
COCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19537157	472.643	SZLCNURTEWKIKH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148955
CO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(CC)(C)C)c1ccccc1	SCHEMBL19537168	472.643	PNSGIRIUNOPQCN-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148956
OCC(c1ccccc1)CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537116	472.643	HUNKKTNZJNXTFC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148957
Cc1ccc(S(=O)(=O)NC2=NCCN2C(=S)SN2CCn3c2nsc3=S)cc1	CHEMBL210687,NSC736062,PC-id_24205507	472.652	UTMMGDYTYRXGIE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-148958
c1(NC(=O)C(C)Oc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_4981348,EMOLS-id_327843279,MCULE-1986892546	472.78	FYOQUAKMDYVSEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148959
c1(NC(=O)COc2cc(C)c(c(C)c2Br)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_1701845,MCULE-8680722081	472.78	RWVNQGROFUJZJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148960
BrC(=Cc1cc(/N=c/2snc3n2CC(C3)(C)C)c(cc1Cl)C)P(=C)(C)C	PC-id_59933027	472.81	CXAPUXUHTSSFTC-BHKSAEHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148961
Cc1c(C(=O)C(=O)NC23CC(C2)(C3)C(=O)N)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	BindingDB-id_799411,PC-id_134285306,SCHEMBL19901033	472.897	ARYFPUZRBRDBJD-UHFFFAOYSA-N	00001010100000110000001010000000000000000000000000000000	25-01-148962
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNNN1)C(=O)Nc1c(c(ccc1)Cl)F	SCHEMBL19920710,PC-id_134302991	472.9	OWWDFIYNFJMUBF-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-148963
COc1ccc(CCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324892685	472.901	PIADMINFVKMYFQ-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148964
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(Cl)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324893188	472.901	NNNCWYNUGSCYNO-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148965
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-1476843062	472.901	PIADMINFVKMYFQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148966
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCCOc1ccc(OC)cc1	MCULE-8297640812	472.901	NNNCWYNUGSCYNO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148967
Clc1c(N2CCC(CC2)C(=O)NNC(=O)c2sc3CCCc3c2)ncc(c1)C(F)(F)F	EMOLS-id_30648683,PC-id_26280996,MCULE-7456786761	472.912	VZXXOQJBLNPRMW-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-148968
NC(=O)c1c(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2c1CCC2	CoCoCo_3218571,MCULE-5869739705,CoCoCo_3218572,EMOLS-id_11859314,PC-id_16387342,ZINC22_23873376	472.912	NQCFRWKPOOZGNL-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-148969
Clc1c(cc(S(=O)(=O)N)cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_24372993	472.92	VFJKGGCWYSOQEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148970
Clc1c(S(=O)(=O)N)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_16537933	472.92	QQHOZMQCNRVECU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148971
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O)CCC	MCULE-5417757300	472.92	XTKQAROAXRUFHO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148972
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_3503234,PC-id_16254179,CoCoCo_3146702,ZINC22_9126145,MCULE-6063577340	472.945	IVTVENRSXBRAOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148973
Clc1c(n(nc1C)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C	PC-id_42965209	472.945	QISHJPHRYZAVQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-148974
COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408629542	472.963	DBEOJOXYJBPLPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148975
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C)Cl	SCHEMBL20252976,PC-id_134599075	472.964	KESOPMYNMJOHKS-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-148976
CN(C=c1sc2n(c1=O)c(cc2S(=O)(=O)c1ccc(cc1)Cl)C(=O)c1ccccc1)C	EMOLS-id_26189715,MCULE-2119722492	472.964	XJSQSVSXHHHJMZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148977
CN(C)/C=c/1sc2c(S(=O)(=O)c3ccc(Cl)cc3)cc(C(=O)c3ccccc3)n2c1=O	ZINC22_16044229	472.964	XJSQSVSXHHHJMZ-AQTBWJFISA-N	00000000100000110001000010000000000000000000000000000000	25-01-148978
c1(c2CCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_306050,BAS-03715680,MCULE-1891833670,ZINC22_3066011,PC-id_3148512,EMOLS-id_1439583	472.984	OQQXETJJVCWWDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148979
c1(c2CCCc2sc1NCc1ccc(c(OC)c1)OC)C(=O)Nc1c(OC)ccc(Cl)c1	PC-id_1166885,ZINC22_920883,EMOLS-id_1439593,MCULE-3602391099,BAS-03715688,CoCoCo_306055	472.984	GNTJVNGYITUIFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148980
c1(c2CCCc2sc1NCc1cc(OC)ccc1OC)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_2720393,ZINC22_3066013,MCULE-8213169798,PC-id_3359426,EMOLS-id_2779868	472.984	GKDMCRKWHDNWHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148981
c1(NC(=O)c2c(Cl)cnc(SC)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_2011238,MCULE-2504426661,PC-id_2236131,ZINC22_2883799,CoCoCo_567546,TIMTEC159491,ChEMBL-DNDi_CHEMBL7976763	473.011	FXNWDGFBJQIDGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148982
C1C2=CN(N=C2CN1C(=O)[C@@H](C3=CC=CC=C3F)O)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872002	473.078	LQFWICQRKGLZOQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148983
C1C2=CN(N=C2CN1C(=O)[C@H](C3=CC=CC=C3F)O)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872007	473.078	LQFWICQRKGLZOQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-148984
C1Cc2c(C1)sc(c2C#N)N=Cc1cc(cc(c1O)I)Br	PC-id_136178337	473.126	ZNEGCDNJKKYEIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148985
IC1=CC(=CC(=CNc2sc3CCCc3c2C#N)C1=O)Br	PC-id_50886497	473.126	NKUUOOCGIXUQIS-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-148986
N#Cc1c(NC(=O)c2cc(Br)ccc2I)sc2c1CCC2	PC-id_103600220	473.126	XRUBYTADSRGREM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148987
N#Cc1c(NC(=O)c2cc(I)ccc2Br)sc2c1CCC2	PC-id_108011918	473.126	NHPHXINPWVMWGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-148988
n12nc(nc1sc(=Cc1cc(Br)cc(Br)c1OC(=O)C)c2=O)CC	MCULE-3373890325	473.139	LFMWMSDVOCCFBJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148989
CC1=C(C(=CC=C1)Br)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587083	473.143	WLETUAIWILDPID-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-148990
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=C[NH2+]NN4)C(=O)NC5=C(C=CC(=C5)Cl)F	PC-id_148543714	473.15	MSRKHIOQIRBNJI-UHFFFAOYSA-O	00100011100000110001100010000000000000000000000000000000	25-01-148991
Clc1ccc(OCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324847862	473.16	LTJFFXIHFOLFSI-NSIKDUERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148992
Clc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324846837	473.16	CFQXUCJRZLZFSE-WCSRMQSCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148993
Clc1ccc(OCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324848885	473.16	UYVOQWICHLFICQ-UUASQNMZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148994
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)COc1ccc(cc1Cl)Cl	MCULE-2549908154	473.16	LTJFFXIHFOLFSI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148995
n12nc(nc1sc(=Cc1ccc(Cl)cc1Cl)c2=O)COc1ccc(cc1Cl)Cl	MCULE-4807916953	473.16	CFQXUCJRZLZFSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148996
n12nc(nc1sc(=Cc1ccc(Cl)c(Cl)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-1933343902	473.16	UYVOQWICHLFICQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-148997
C1COCCN1CC2=CC=C(C=C2)COC3=CSC4=C3CN(C4=O)[C@@H](CCC(=O)O)C(=O)N	PC-id_151026862	473.162	LZFPMVPODOZZOV-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-148998
C1COCCN1CC2=CC=C(C=C2)OCC3=C4CN(C(=O)C4=CS3)[C@@H](CCC(=O)O)C(=O)N	PC-id_149631272	473.162	AFDPBBTYOMZGLP-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-148999
C1COCCN1CC2=CC(=CC=C2)OCC3=C4CN(C(=O)C4=CS3)[C@@H](CCC(=O)O)C(=O)N	PC-id_151998649	473.162	UGEYTHPXOLLOLT-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-149000
C1COCCN1CC2=CC=C(C=C2)OCC3=CC4=C(S3)C(=O)N(C4)[C@@H](CCC(=O)O)C(=O)N	PC-id_151750070	473.162	ROIOYYRZGRJVED-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-149001
C1COCCN1CC2=CC=C(C=C2)OCC3=CSC4=C3CN(C4=O)[C@@H](CCC(=O)O)C(=O)N	PC-id_151766582	473.162	RRRYXIYGZXMQDZ-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-149002
O=C(c1c(C)nn2c1N(CC2)Cc1ccc(c(c1)Cl)Cl)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18758551	473.352	CJYKWCSUBTWHQF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149022
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CN=C(C=C3)C(=O)O)CC4=CC(=CC=C4)C(F)(F)F	PC-id_160042770	473.167	ZJJMEVGZZHRWBC-ZDUSSCGKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-149003
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=NC=C(C=C3)C(=O)O)CC4=CC(=CC=C4)C(F)(F)F	PC-id_160480406	473.167	UFTVWOPIJXUHQA-ZDUSSCGKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-149004
CC(C1CCN(C1)C2=CC(=NN=C2)OC)NC3=NN4CCC(C4=N3)OC5=CC(=CC(=C5)Cl)F	PC-id_153606643	473.174	QEBNWDFIODFGHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149005
BrC1=CC(=CC(=CNc2sc3c(CCC3)c2C(=O)OCC)C1=O)Br	PC-id_5436733	473.179	NYTUQSZPBHNGSK-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-149006
BrC1=CC(=C/C(=C/Nc2sc3c(CCC3)c2C(=O)OCC)/C1=O)Br	PC-id_6504443	473.179	NYTUQSZPBHNGSK-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-149007
Brc1c(NC(=O)COC(=O)c2sc3CCCc3c2)c(Br)cc(c1)C	PC-id_3900198,GD-id_ZINC09070597	473.179	HXHUKUKTYRYVEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149008
c1(Br)cc(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(cc1)Br	EMOLS-id_327756983,MCULE-6060527882	473.179	UVFMPMPAHAYUJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149009
c1(N=Cc2cc(Br)cc(Br)c2O)sc2c(CCC2)c1C(=O)OCC	MCULE-6836397072	473.179	MLDSJNZSKUWFJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149010
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(Br)cc(Br)c1O	ZINC22_722034,STOCK1S-65733,SPECS-id_AE-848/33203055,EMOLS-id_26253757,CoCoCo_6877972,PC-id_135437630	473.179	MLDSJNZSKUWFJK-DNTJNYDQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149011
CCOC(=O)c1c(/N=Cc2cc(Br)cc(c2O)Br)sc2c1CCC2	CoCoCo_6877973	473.179	MLDSJNZSKUWFJK-ZBKNUEDVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149012
CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)OC(C)(C)C)C(=N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]	PC-id_153631873	473.191	CKPVRSZIBNTQJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149013
C1CN(CCC1COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OCC4CN5C=CN=C5O4	PC-id_151372596	473.193	OQTFBARGDUEDAM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149014
CC1(c2c(CN1C(=O)O[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)[C@]1(CCCO1)S)C	PC-id_163645592	473.21	IHYABNIFSXDHIF-HXOBKFHXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149015
Ic1cc(F)c(Nc2n(c3c(CCC3=O)c2C(=O)NOCCO)C)cc1	PC-id_25124819,BindingDB_PC-id_25124819,SCHEMBL4789647	473.237	HCKFVNRBNGXKLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149016
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCN(CC3)C(=O)C4=NNC5=C4CCC5	PC-id_153565235	473.25	XMLMPUCFCBUNRS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149017
CN1CCN(CC1)C2=CC=C(C=C2)C(=O)N3CC4=C(C3)NN=C4NC(=O)C5=CC=C(C=C5)N(C)C	PC-id_165180374	473.254	YJVFUPUTUYQABB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149018
CN1CCN(CC1)C2=CC=CC(=C2)C(=O)N3CC4=C(C3)NN=C4NC(=O)C5=CC=C(C=C5)N(C)C	PC-id_165180378	473.254	CFHYAPNDVXRESA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149019
C[C@H]1CN(C(CN1C(=O)N2CC3=C(C2(C)C)NN=C3NC4=C(C=NC(N4)(C5CC5)N)F)(C)C)C	PC-id_153981288	473.303	XCGWZUGIRKCAPX-AVEISGIFSA-N	00100010100011000001100010000000000000000000000000000000	25-01-149020
c12sc(NC(=O)Cn3c(C)c(I)c(C)n3)c(C(=O)OCC)c1CCC2	MCULE-4276583072,PC-id_5297960,ZINC22_12413883,EMOLS-id_6821345,TIMTEC161238	473.328	FZMRWNCGXSIPOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149021
c1(c2CCCc2sc1NC(=O)c1ccc(cc1Cl)Cl)C(=O)NC1CCS(=O)(=O)C1	TIMTEC187984,EMOLS-id_10107417,MCULE-3616344845,PC-id_17013799	473.393	HDRHUMXEMKLQON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149023
Cc1c(C(=O)C(=O)NC(C)(CO)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	SCHEMBL19900972,BindingDB-id_799433,PC-id_134285251	473.393	DMYUTJPBOWGICR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149024
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@](C)(CO)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19900970,PC-id_134285250	473.393	DMYUTJPBOWGICR-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149025
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@@](C)(CO)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19901000,PC-id_134285277	473.393	DMYUTJPBOWGICR-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149026
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)sc2c1CCC2	ZINC22_14269544,PC-id_17103384	473.393	QIRPPJSVWDWBGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149027
NC(=O)c1c(NC(=O)COC(=O)CSCc2ccc(Cl)c(Cl)c2)sc2c1CCC2	PC-id_16282462,CoCoCo_2879769,MCULE-5597953845,EMOLS-id_43710091,ZINC22_10021146	473.393	TXWQOQSMVYVOOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149028
O=C([C@@](c1ccc(c(c1)F)F)(N[C@@](C(F)(F)F)(C(=O)O)C)C)NC(=O)c1ccc2n1CCC2	PC-id_141757313	473.393	PTXQNUMUELNPQB-WOJBJXKFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149029
O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2)c1ccc(Cl)cc1Cl	PC-id_35043979,ZINC22_27664601,CoCoCo_6331278	473.393	HDRHUMXEMKLQON-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-149030
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccc(Cl)cc1Cl	ZINC22_27664600,PC-id_35043978,CoCoCo_6331277	473.393	HDRHUMXEMKLQON-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149031
O=C(c1cc2c(s1)CCC2)N(C(=O)c1cc2c(s1)CCC2)c1ccc(Br)cn1	ZINC22_12524579,EMOLS-id_48967192,PC-id_4584332,CoCoCo_3730084,MCULE-6207648693	473.406	URIGJPKOGOUCEO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149032
CCOC(=O)[C@@](C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1cccc(c1)F	PC-id_92214640,CoCoCo_1743939	473.441	YBVUNNHBFNZQRR-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149033
CCOC(=O)[C@](C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1cccc(c1)F	PC-id_92214641,CoCoCo_1743938	473.441	YBVUNNHBFNZQRR-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149034
CCOC(=O)[C@@](C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1ccc(cc1)F	PC-id_92214642,CoCoCo_1743936	473.441	RDHJRGFSSVSWRX-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149035
CCOC(=O)[C@](C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1ccc(cc1)F	PC-id_92214643,CoCoCo_1743937	473.441	RDHJRGFSSVSWRX-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149036
CCOC(=O)C(NC(=O)c1cccc(F)c1)(Nc1sc2CCCc2c1C(=O)N)C(F)(F)F	EMOLS-id_24306731,PC-id_46498288,MCULE-9968136758	473.441	YBVUNNHBFNZQRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149037
CCOC(=O)C(NC(=O)c1ccc(F)cc1)(Nc1sc2CCCc2c1C(=O)N)C(F)(F)F	EMOLS-id_6867454,MCULE-9572803699,CHEMBL1449823,PC-id_5322265,ChEMBL-DNDi_CHEMBL1449823	473.441	RDHJRGFSSVSWRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149038
s1c2CCCc2c(c1NC(=O)COC(=O)CNS(=O)(=O)c1c(F)c(F)c(F)cc1)C#N	PC-id_16519801	473.446	JOKSJHZFEPLJCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149039
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc(Cl)cc1	PC-id_44053837	475.391	FUQGOWBPZCNLGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149549
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)N	SCHEMBL20539613,PC-id_135361157	473.448	ONAMFXJTHNVTRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149040
Nc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758508	473.448	ONAMFXJTHNVTRW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149041
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2sc(c(C)c2C(=O)OCC)C(=O)OCC)n1	EMOLS-id_1359755,CoCoCo_225008,ZINC22_869841,BAS-01939685,PC-id_1129767,TIMTEC262487,MCULE-8643407983	473.466	KIMAFEFRDFLYJL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-149042
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)OC	PC-id_16513232	473.468	SPMDGNIRGURSGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149043
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL4280181,PC-id_68984549	473.479	CQMXGQDTLBXCNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149044
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1cccc(c1)[N+](=O)[O-]	PC-id_121438506,SCHEMBL17872102	473.479	GMMFMSXZNUGQOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149045
CCCOC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	SCHEMBL2163175,PC-id_24772683	473.481	NFBKLWMPGMYQLT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149046
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)c1cc(F)c(F)cc1)C(=O)NCC1OCCC1	PC-id_75781129	473.492	QNFAKZKXKDJXFD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149047
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)c1cc(F)c(F)cc1)C(=O)NC[C@H]1OCCC1	PC-id_52077870	473.492	QNFAKZKXKDJXFD-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149048
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)c1cc(F)c(F)cc1)C(=O)NC[C@@H]1OCCC1	PC-id_52077871	473.492	QNFAKZKXKDJXFD-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149049
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCc1c(F)cccc1F	PC-id_16948095	473.492	VIGZNJQDFZZBLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149050
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C(=O)CO)C	SCHEMBL18730064	473.499	DLUMKTLJIXKKIV-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149051
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C(=O)CO)C	SCHEMBL18730065	473.499	DLUMKTLJIXKKIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149052
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)C)cc(NC(=O)C)c1)C(=O)OC	PC-id_24371670	473.499	UXECPHKMKAYYJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149053
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N2CCCC2)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_24381244	473.499	IHRINHYLZPWHJB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-149054
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)C#N	PC-id_1672815	473.499	XZJZNDPPLAWNQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149055
C/C=C(C)/C(=O)O[C@H]1C[C@H](OC(=O)C)n2ccc(COC(=O)/C(=CC)/COC(=O)C=C(C)C)c12	LI_14962	473.516	DZBWFFPQOFEYIE-LOANCHIDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149056
CC=C(C(=O)OC1c2c(COC(=O)C(=CC)COC(=O)/C=C(/C)C)ccn2C(OC(=O)C)C1)C	MCULE-6160459705,CNP0261727,PC-id_4484073	473.516	DZBWFFPQOFEYIE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149057
C/C=C(/C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=C/C)/C)C[C@@H]2OC(=O)C)COC(=O)C=C(C)C	CHEBI:9106,UNPD13722,PC-id_5281749	473.516	DZBWFFPQOFEYIE-LSKSLASESA-N	00000010100000000000000010000000000000000000000000000000	25-01-149058
C/C=C(/C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(=C/C)/C)C[C@H]2OC(=O)C)COC(=O)C=C(C)C	PC-id_101821209	473.516	DZBWFFPQOFEYIE-MPXVMUMISA-N	00000010100000000000000010000000000000000000000000000000	25-01-149059
C/C=C(C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(=C/C)/C)C[C@H]2OC(=O)C)/COC(=O)/C(=C/C)/C	PC-id_101821210	473.516	DYLUSUNCJYDAKT-HDFNXEAXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149060
C/C=C(C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(=C/C)/C)C[C@H]2OC(=O)C)/COC(=O)C=C(C)C	PC-id_101821211	473.516	DZBWFFPQOFEYIE-DGCDTDGWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149061
C/C=C(C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=C/C)/C)C[C@@H]2OC(=O)C)/COC(=O)C=C(C)C	PC-id_101821212,UNPD454	473.516	DZBWFFPQOFEYIE-OPSIPYGOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149062
C/C=C(/C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(=C/C)/C)C[C@H]2OC(=O)C)COC(=O)/C(=C/C)/C	PC-id_101821213	473.516	DYLUSUNCJYDAKT-RYLCUFPESA-N	00000010100000000000000010000000000000000000000000000000	25-01-149063
C/C=C(/C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=C/C)/C)C[C@@H]2OC(=O)C)COC(=O)/C(=C/C)/C	PC-id_6442687,UNPD48019	473.516	DYLUSUNCJYDAKT-IFWBSMHISA-N	00000010100000000000000010000000000000000000000000000000	25-01-149064
C/C=C(C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(=CC)/C)C[C@H]2OC(=O)C)/COC(=O)/C(=C/C)/C	UNPD103753	473.516	DYLUSUNCJYDAKT-JQWMXMHSSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149065
C/C=C(/C(=O)OCc1ccn2c1[C@H](OC(=O)C=C(C)C)C[C@@H]2OC(=O)C)COC(=O)/C(=CC)/C	UNPD135442	473.516	ZOAGTJVVEQNBQS-ZIZDUKKXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149066
C/C=C(C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(=CC)/C)C[C@H]2OC(=O)C)/COC(=O)/C(=CC)/C	UNPD17339	473.516	DYLUSUNCJYDAKT-PRHFUCSESA-N	00000010100000000000000010000000000000000000000000000000	25-01-149067
C/C=C(/C(=O)OCc1ccn2c1[C@@H](OC(=O)/C(=CC)/C)C[C@H]2OC(=O)C)COC(=O)/C(=CC)/C	UNPD21592	473.516	DYLUSUNCJYDAKT-IFZKGCBVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149068
C/C=C(C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=CC)/C)C[C@H]2OC(=O)C)/COC(=O)C=C(C)C	UNPD42372	473.516	DZBWFFPQOFEYIE-NKQHWBHCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149069
C/C=C(C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=C/C)/C)C[C@@H]2OC(=O)C)/COC(=O)/C(=C/C)/C	UNPD67544	473.516	DYLUSUNCJYDAKT-PCIXYTJNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149070
C/C=C(/C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=C/C)/C)C[C@@H]2OC(=O)C)COC(=O)/C(=CC)/C	UNPD81519	473.516	DYLUSUNCJYDAKT-UKUYSDRLSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149071
C/C=C(C(=O)OCc1ccn2c1C(OC(=O)/C(=C/C)/C)CC2OC(=O)C)/COC(=O)/C(=C/C)/C	PC-id_138401681	473.516	DYLUSUNCJYDAKT-PWJUTCTFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149072
CC=C(C(=O)OCC(=CC)C(=O)OCc1ccn2c1C(OC(=O)C(=CC)C)CC2OC(=O)C)C	MCULE-6444986635,CNP0143776,PC-id_74934296	473.516	DYLUSUNCJYDAKT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149073
O(C1CC(OC(=O)C)n2c1c(cc2)COC(=O)/C(=C/C)/COC(=O)/C(=C/C)/C)C(=O)/C(=C/C)/C	PC-id_44148183	473.516	DYLUSUNCJYDAKT-LLCSTJSRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149074
O(C1CC(OC(=O)C)n2c1c(cc2)COC(=O)/C(=C/C)/COC(=O)C=C(C)C)C(=O)/C(=C/C)/C	PC-id_44150953	473.516	DZBWFFPQOFEYIE-CWYYMCDWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149075
O([C@@H]1C[C@H](OC(=O)C)n2c1c(cc2)COC(=O)C(=CC)COC(=O)/C(=C/C)/C)C(=O)/C(=C/C)/C	PC-id_6442685	473.516	DYLUSUNCJYDAKT-GAFWUZBPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149076
O=C(OC1c2c(ccn2C(OC(=O)C)C1)COC(=O)C(=CC)COC(=O)C(=CC)C)C=C(C)C	CNP0257641	473.516	ZOAGTJVVEQNBQS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149077
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CC)c1ccc(F)cc1)C(=O)OCC	PC-id_16497061	473.517	YYSPPNQZZYLVSA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149078
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(CC)c1ccc(F)cc1)C(=O)OCC	PC-id_51447138	473.517	YYSPPNQZZYLVSA-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149079
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(CC)c1ccc(F)cc1)C(=O)OCC	PC-id_51447139	473.517	YYSPPNQZZYLVSA-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149080
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)N	PC-id_45652219	473.517	IUPWKEDZWUFICV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149081
COc1cc(/C=c/2sc3nc(Cc4ccc(F)cc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324839666	473.519	MDKRCOLCBIKFLH-UCQKPKSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149082
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-7187690740	473.519	FEOZFQYXGAYWPO-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149083
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)Cc1ccc(F)cc1	MCULE-7176038685	473.519	MDKRCOLCBIKFLH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149084
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_16947263	473.519	FUQPYIDEQOVWJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149085
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCN(CC2)C(=O)OC(C)(C)C)cc1)C	PC-id_68653171,SCHEMBL3465287	473.522	OKCRPBUXKOHXQG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149086
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(NC(=O)c2occc2)cc1C)C(=O)N	PC-id_55490709	473.522	ZZWWKOFNHMGTEX-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-149087
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)C=Cc1ccccc1)C(=O)OC	PC-id_5078762	473.522	HAWWRCXFBZNIQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149088
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)NC(=O)C1C=CC(=O)N=C1)C(=O)OCC	PC-id_75120558	473.525	XBSRAUOVBPSLPA-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-149089
s1c2CCC(c2nc1NC(=O)Cc1nc(sc1)NC(=O)c1c[nH]c(=O)cc1)C(=O)OCC	PC-id_45550225	473.525	RBGDPMSEKMRPIF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-149090
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OCCC)C(=O)OC	PC-id_73550678,MCULE-6737586530	473.539	DKGXZDMUMWFITJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149091
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OC(C)C)C(=O)OC	PC-id_73569585,MCULE-4305722461	473.539	BSMCCSOYHANKLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149092
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OCC)c1)OCC)C(=O)OC	MCULE-6579190221,PC-id_73557571	473.539	MMCBCBJSMJVMFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149093
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCC2OCCC2)cc1)C(=O)OCC	PC-id_4012289	473.539	FLPVGEQRBSXNRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149094
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OC[C@H]2OCCC2)cc1)C(=O)OCC	PC-id_29182844	473.539	FLPVGEQRBSXNRA-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149095
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OC[C@@H]2OCCC2)cc1)C(=O)OCC	PC-id_29182845	473.539	FLPVGEQRBSXNRA-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149096
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OCC)c(OCC)cc1)C(=O)OC	PC-id_19177919	473.539	MMCBCBJSMJVMFJ-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149097
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OC)c(OCCC)cc1)C(=O)OC	PC-id_19171605	473.539	DKGXZDMUMWFITJ-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149098
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OC)c(OC(C)C)cc1)C(=O)OC	PC-id_19207746	473.539	BSMCCSOYHANKLN-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149099
Cc1ccc(cc1)S(=O)(=O)n1c2c(cc1C(=O)OC)C(=Cc1cccc(c1)c1ccco1)CC2	PC-id_87186666,SCHEMBL1004328	473.54	FFSKXVVEMWYFDM-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-149100
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=Cc1cccc(c1)c1ccco1	SCHEMBL1004327	473.54	FFSKXVVEMWYFDM-HMMYKYKNSA-N	00000010101000110000100010000000000000000000000000000000	25-01-149101
s1c2CCCc2cc1C(=O)NNC(=O)c1c(ccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C	PC-id_27684720	473.54	VMUKBWIFSXZMCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149102
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cc(c(F)cc2)C)cc1	PC-id_26872871	473.54	COZRRBMWQYICOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149103
CC(C)(O)c1ccc(C#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)cc1	PC-id_118368787,SCHEMBL18729853,CHEMBL4439455	473.542	MXGXPNRYVORODU-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149104
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCC1CCOCC1	PC-id_89237072,SCHEMBL14055630	473.542	OEVPUIXWBKGCQI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149105
CCOc1c(cc(cc1)N=N/C(=C(C)/O)/C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)OCC	PC-id_135461345	473.542	JQQHJMVJRDPHAA-PQANCCJBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149106
CCOc1c(cc(cc1)N=NC(=C(C)O)C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)OCC	PC-id_135486523	473.542	JQQHJMVJRDPHAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149107
CCOc1ccc(N/N=C(C(=O)C)/C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1OCC	CoCoCo_3693137,ZINC22_2661569,PC-id_5638666	473.542	DNXJJQSNGGDAEZ-LHLOQNFPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149108
CCOc1cc(N/N=C(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)/C(=O)C)ccc1OCC	CoCoCo_3693138	473.542	DNXJJQSNGGDAEZ-QOMWVZHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149109
CCOc1cc(NN=C(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)C(=O)C)ccc1OCC	EMOLS-id_26156629,MCULE-2322616553,PC-id_2125535	473.542	DNXJJQSNGGDAEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149110
CCOC(=O)c1c(NC(=O)C(CCC(=O)N)NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_328126230,MCULE-7040686391	473.542	WOJKJCBTPXFUID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149111
O=C(c1nc(sc1N)c1c(F)cccc1F)Nc1cnn2c1N(CCC1CCNCC1)CC2	PC-id_58465098,SCHEMBL2524322	473.542	HDHXJULACHXRAF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149112
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C(O)(C)C)C	SCHEMBL18729854	473.542	MXGXPNRYVORODU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149113
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)NCc1occc1	PC-id_41733040	473.542	ZHMFXRMAADNOQU-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-149114
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC(=O)NC(C)C)cccc1)C(=O)OCC	PC-id_55405067	473.542	CFXXXQSPADPNAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149115
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(=O)N	PC-id_51920399	473.542	GAWHGSWFXNELOT-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149116
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(=O)N	PC-id_51920400	473.542	GAWHGSWFXNELOT-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149117
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C)C(=O)N	PC-id_45620269	473.542	GAWHGSWFXNELOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149118
s1c2CCC(C(=O)N3CCC(CC3)C(=O)OC)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16947978	473.542	RUQZKQQHQKAWSS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149119
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2cccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-2116654467	473.544	SIAZRVCKUVNIIE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149120
c1(NC(=O)COc2cccc(c2)NC(=O)CCC(=O)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-7355088920,EMOLS-id_323184540	473.544	ZRRRUKQZFJXVHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149121
COc1cccc(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)c1	EMOLS-id_323185285	473.544	SIAZRVCKUVNIIE-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149122
COCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cn1)F	PC-id_59508351,SCHEMBL597981	473.544	LMEKTHIGWQUKAU-CABCVRRESA-N	00000010100010101001000010000000000000000000000000000000	25-01-149123
Fc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)N1[C@H](CN([C@@H](C1)C)CCCO)C)(C)C	SCHEMBL597617,PC-id_59508345	473.544	HJLVKQNKNGBXRJ-CABCVRRESA-N	00000010100010101001000010000000000000000000000000000000	25-01-149124
c1(NC(=O)COc2cccnc2NC(=O)N(CCOC)CCOC)sc2c(CCC2)c1C#N	EMOLS-id_321858744,MCULE-5761972639	473.545	WGIDVEWSVKJPRI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149125
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(OC)cc3)n(nc2C1)CC(=O)NCCOC	PC-id_44053039	473.545	BQTJINPDPFIXAT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149126
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(OC)ccc3)n(nc2C1)CC(=O)NCCOC	PC-id_44053038	473.545	VSUFOJPNUAYHJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149127
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1	EMOLS-id_328220279,MCULE-6356206112	473.547	WPCXPOBEOIESEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149128
S1Cc2c(nn(c2NC(=O)c2noc(c2)c2ccccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053893	473.547	DYKSLKBVULUYNP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149129
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c(F)cc(cc1)C(=O)C)C(=O)OCC	PC-id_26382869	473.56	RTXKZHLRBBURQM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149130
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)Nc2cccc(F)c2)CC1	ZINC22_22789303,PC-id_30625921,CoCoCo_4245410,CoCoCo_4245409	473.564	WGBYNNAIXWYLJQ-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149131
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)Nc2cccc(F)c2)CC1	ZINC22_22789310,CoCoCo_4245411,CoCoCo_4245412,PC-id_30625931	473.564	WGBYNNAIXWYLJQ-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149132
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	CoCoCo_4230654,ZINC22_96018689,PC-id_30737170,CoCoCo_4230655	473.564	FPQKWWVJTZULJM-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149133
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	CoCoCo_4230657,CoCoCo_4230656,PC-id_30737166,ZINC22_96018690	473.564	FPQKWWVJTZULJM-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149134
O=C(Nc1cccc(c1)F)CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_16361099,MCULE-4958638234,EMOLS-id_43984198	473.564	WGBYNNAIXWYLJQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149135
O=C(Nc1ccc(cc1)F)CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_44483112,EMOLS-id_16750294,MCULE-5936655908	473.564	FPQKWWVJTZULJM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149136
c1(NC(=O)Cn2nc(oc2=S)Cc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-5443383684,CoCoCo_6271844,ZINC22_16768542,PC-id_4750815	473.565	JWMQKIHFRLTJPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149137
c1(NC(=O)CSc2nnc(Cc3ccc(cc3)OC)o2)sc2c(CCC2)c1C(=O)OCC	TIMTEC326018,MCULE-1742602412,EMOLS-id_9819563,CoCoCo_5840674,ZINC22_8871569,PC-id_4183522	473.565	NBFWFWITMCKZFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149138
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)C(=O)OC(C)C)sc2c(CCC2)c1C#N	MCULE-8375305094,EMOLS-id_320613354	473.565	JBJMQTAOKRNRND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149139
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(SCC(=O)NCCOC)cccc1)C#N	PC-id_16507445	473.565	MSPFDGIRLVGJLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149140
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(OCC)cc1)C(=O)OCC	PC-id_4400594	473.565	JIEDDYMPOHZCCM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149141
S(=O)(=O)(N1CCCCC1)c1cc(ccc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16521916	473.565	VXKISJQMIWYZLJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149142
c1(C(=O)N2CCC(CC2)C2(CCc3ccccc3)NC(=O)N(CC#CC)C2=O)c2CCCc2[nH]n1	EMOLS-id_20393886,PC-id_45169010,MCULE-4971721622	473.567	AJOLUUPBVQXHEG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149143
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1=O	CoCoCo_1123649,CoCoCo_1123651,PC-id_42246570,ZINC22_11880747	473.567	AJOLUUPBVQXHEG-MHZLTWQESA-N	00000010100010110001100010000000000000000000000000000000	25-01-149144
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1=O	PC-id_42246571,CoCoCo_1123650,ZINC22_11880748,CoCoCo_1123652	473.567	AJOLUUPBVQXHEG-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149145
COc1cc(/C=c/sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OCc1ccccc1	GD-id_ZINC27022047,ZINC22_16779432	473.567	QNRVDDDMJLWXNX-YYLVAKQMSA-N	00000000100100110001000010000000000000000000000000000000	25-01-149146
COc1cc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OCc1ccccc1	ZINC22_27022047,EMOLS-id_45970288	473.567	QNRVDDDMJLWXNX-FRRKYVQWSA-N	00000000100100110001000010000000000000000000000000000000	25-01-149147
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)C=Cc1cccs1	MCULE-2481236769	473.567	QNRVDDDMJLWXNX-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-149148
O=C(C1=CSC2N1C(=O)C2=Cc1cn2c(n1)SCC2)OC(c1ccccc1)c1ccccc1	PC-id_69903601,SCHEMBL6809554	473.567	QODSQWMIZKZJPJ-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-149149
O=C(C1=CSC2N1C(=O)/C/2=C/c1cn2c(n1)SCC2)OC(c1ccccc1)c1ccccc1	SCHEMBL6809551,PC-id_69903600	473.567	QODSQWMIZKZJPJ-UYRXBGFRSA-N	00001011100000110001001010000000000000000000000000000000	25-01-149150
O([C@@H](C(=O)N1Cc2c([nH]nc2CC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)c1ccccc1)C	PC-id_58264457	473.567	MFHRENFXYZWPRT-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149151
O=C(N1C(c2[nH]nc(NC(=O)c3cc(Oc4ccccc4)ccc3)c2C1)(C)C)C1CCN(CC1)C	PC-id_10073579	473.567	DGHMOLYDYGUAKJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149152
CCOC(=O)c1c(NC(=O)CCSc2nnc(n2N)c2ccccc2O)sc2c1CCC2	SPECS-id_AN-153/I267342,MCULE-2809387553,PC-id_136115314	473.568	PRCJXBSBDRVURX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149153
COc1ccc(OCc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)n2C)cc1	MCULE-1405809159,CoCoCo_3646898,EMOLS-id_11769315,ZINC22_9781453,PC-id_16331582	473.568	JXOIRZAAFBVSPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149154
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ocnc1C	SCHEMBL597647,PC-id_59508130,BindingDB_PC-id_59508130	473.568	UVIQDWPUHAZEAF-CABCVRRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-149155
N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	PC-id_17554475,MCULE-2993386843,EMOLS-id_11976435,CoCoCo_3589495,ZINC22_35268040	473.568	XJZSPBRBLIXHDC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149156
N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	PC-id_17551588,ZINC22_35286910,EMOLS-id_11941201,CoCoCo_4134322,MCULE-4920823214	473.568	CXLUQXKPMYPSNX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149157
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(=O)N)cc3)CC2)sc2c1CCC2	MCULE-3779425338,EMOLS-id_16700566,PC-id_25660265,ZINC22_12999996,CoCoCo_4241550	473.568	YHRPJBKAXXBCFH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149158
NC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCC2	PC-id_17334565,ZINC22_57316567	473.568	MNWZWRVCYDEXEL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-149159
OCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1oc(nc1C)C	SCHEMBL597956,PC-id_59508195,BindingDB_PC-id_59508195	473.568	MRZSFFNEDFQGJW-KGLIPLIRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149160
O=C(N1C(CN(C(C1)C)CCCOC)C)N1C(c2[nH]nc(NC(=O)c3ocnc3C)c2C1)(C)C	PC-id_72310276	473.568	UVIQDWPUHAZEAF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149161
O=C(N1C(CN(C(C1)C)CCCO)C)N1C(c2[nH]nc(NC(=O)c3oc(nc3C)C)c2C1)(C)C	PC-id_72310334	473.568	MRZSFFNEDFQGJW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149162
s1c2c(CCC2)c(c1NC(=O)CCSC1=NN/C(=C/2C(=O)C=CC=C2)/N1N)C(=O)OCC	PC-id_17047380	473.568	KBDVWNLHCNUHSR-LDADJPATSA-N	00000011100011000001100010000000000000000000000000000000	25-01-149163
s1c2c(CCC2)c(c1NC(=O)CCSC1=NNC(=C2C(=O)C=CC=C2)N1N)C(=O)OCC	PC-id_41177679	473.568	KBDVWNLHCNUHSR-UHFFFAOYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-149164
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1c(OC)cccc1)C(=O)OCC	PC-id_2485910	473.568	UQMTWFJFQNHFIX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149165
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(OC)ccc(c1)C)C(=O)OCC	PC-id_2608646	473.568	XIBKXNGZXWMVMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149166
s1c2c(CCC2)c(c1NC(=O)CSc1n(nnn1)c1c(OCC)cccc1)C(=O)OCC	PC-id_2613786	473.568	OVTJIINJTIQDGK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149167
c1(NC(=O)COc2cccc(c2)Nc2scc(c3ccccn3)n2)sc2c(CCC2)c1C#N	EMOLS-id_320807449,MCULE-9770591642	473.57	NPYLKMTVEQFBCY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-149168
O=C(Nc1n[nH]c2c1CN(C2)NC(=O)NC(c1ccccc1)C)Cc1ccc(cc1)N1CCCC1	PC-id_68443018,SCHEMBL2924951	473.57	FUJYEEUNBYPGGR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149169
O=C(N(c1n[nH]c2c1CN(NC(=O)NC(c1ccccc1)C)C2)c1ccc(N2CCCC2)cc1)C	PC-id_70011266,SCHEMBL7170691	473.57	WKXDLWXMMMDTIA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149170
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1)C(C)(C)C)C(=O)OC	CHEMBL1525233,EMOLS-id_1865862,STOCK2S-73138,PC-id_2790650,MCULE-7323046865	473.582	SNYKDTAMQVRXDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149171
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(c(C)c1)C(C)C)C(=O)OC	MCULE-4016578768,PC-id_19237138	473.582	ZOFANJLVGMYVQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149172
COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1565013,CoCoCo_837718,ZINC22_1773512	473.582	SNYKDTAMQVRXDX-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149173
COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_1565014,CoCoCo_837719,ZINC22_1773513	473.582	SNYKDTAMQVRXDX-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149174
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(O)c(C(C)C)cc(C(C)C)c1)C(=O)OCC	PC-id_3920708	473.582	GODMLJNFXYUGJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149175
c1(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4311416543,EMOLS-id_334336942	473.585	PDFSBSDDDINCQB-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-149176
c1(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2589478778,EMOLS-id_334392081	473.585	XHOXFJIKKJZKSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149177
c1(NC(=O)NN=Cc2ccc(c(OC)c2)OCCCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4607648704,PC-id_19169872	473.585	BNFHLNISPBAUFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149178
C=CCS(=O)c1cc2n(c1C(=O)c1ccsc1)C(CC2C(=O)OC)C(=O)c1cccs1	PC-id_70450426,SCHEMBL10817367	473.585	YBXQTSRHHMYGMJ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149179
C=CCS(=O)c1cc2n(c1C(=O)c1ccsc1)CCC2(C(=O)OC)C(=O)c1ccsc1	SCHEMBL10817372,PC-id_70450427	473.585	XOZBQSFXQSFHMX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149180
C=CCS(=O)c1cn2c(c1)C(C(C2)C)(C(=O)O)C(=O)c1csc(c1)C(=O)c1ccsc1	PC-id_70486064,SCHEMBL10980245	473.585	OCUPDCFWGODBBQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149181
C=CCS(=O)c1cn2c(c1)C(CC2)(C(=O)OC)C(=O)c1csc(c1)C(=O)c1ccsc1	PC-id_70450430,SCHEMBL10817379	473.585	SJGQXVBASFYTKV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149182
C=CCS(=O)c1sccc1C(=O)c1cc2n(c1C(=O)c1cscc1)CCC2C(=O)OC	SCHEMBL10817360,PC-id_70450424	473.585	HTGCYKBCBPBAMM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149183
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CCOc1ccc(OC)cc1)C(=O)OC	PC-id_24446417	473.585	AAMKXLMXSVGQHV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149184
c1(NC(=O)c2ccccc2I)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5549631231,EMOLS-id_334387474	484.351	WHDYNDWMLSDZBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151761
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_323200828,MCULE-6457220587	473.587	JHHJTTJVEJDPFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149185
s1c2CCCc2c(c1NC(=O)COc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1)C#N	PC-id_1672816	473.587	UUDQUNMLIKJIME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149186
s1c2CCCc2c(c1NC(=O)COc1ccc(C(=O)Nc2ccc(CCCC)cc2)cc1)C#N	PC-id_1662727	473.587	QYIIMDMJUNTLTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149187
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331931160,MCULE-5116463154	473.588	RUJJYULRASKANI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149188
c1(NC(=O)COc2nonc2C(=O)N(CCCCCC)CCCC)sc2CCCc2c1C#N	EMOLS-id_333662155,MCULE-5752043775	473.588	ZKEMGXZLJKBAIA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149189
c1(NC(=O)COc2nonc2C(=O)NCCCCCCCCCC)sc2CCCc2c1C#N	MCULE-6075977418,EMOLS-id_333713981	473.588	VSOMGHHHJHFUCR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149190
Cc1sc2c(n1)CN(C2)C(=O)[C@@H]([C@H](C(=O)NCC1CCN(CC1C)c1ccccc1N)O)O	SCHEMBL8273449,PC-id_70329186	473.588	QNUARVPIZHRSAI-JRQFYHNKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149191
s1c2CN(Cc2nc1C)C(=O)C(O)C(O)C(=O)NCC1C(CN(CC1)c1c(N)cccc1)C	PC-id_77825146	473.588	QNUARVPIZHRSAI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149192
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(cc1)C(=O)C	PC-id_41214275	473.588	VSHJLVHLXYHSBL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149193
CC(C)Nc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1	BindingDB-id_546034,BindingDB_PC-id_25156023,SCHEMBL7015861,PC-id_25156023	473.59	WMPRQJNNYNQQIY-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149194
C[C@H]1CN(C(C1)(C)CNC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)NC(C)C)C	SCHEMBL19200796	473.59	XVOVSYDOVWEZAU-PDNQZYNLSA-N	00000010100000100001000010000000000000000000000000000000	25-01-149195
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CS(=O)(=O)c1ccccc1)C)C#N	PC-id_23406151	473.592	LWBZQIMVDJSLMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149196
Cn1ncc(c1)Nc1nccc(n1)c1ccc(c(c1)C)CN1Cc2c(C1=O)sc(n2)C(C)(C)C	PC-id_118139346,SCHEMBL16793984	473.593	KINXLHAYICMBNO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149197
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CC(C)CC(C)C2)sc2CCCc2c1C#N	EMOLS-id_333772627,MCULE-7578308544	473.608	GRLNPJNDASDVRN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149198
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CC2CCCO2)sc2CCCc2c1C#N	MCULE-7512341849,EMOLS-id_331791793	473.608	FZVLVTGINCETCS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149199
CC1CC(CCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2)NC(=O)C=C	SCHEMBL14057808,PC-id_89238945	473.608	ZYWAZSRIYMREEF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149200
CC1(CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2)NC(=O)C=C	PC-id_89239021,SCHEMBL14057927	473.608	XSTZZANWHQSKMV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149201
CC1CN(CCC1NC(=O)C=C)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	PC-id_89238183,SCHEMBL14056889	473.608	VFCVTIXDZSEQGW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149202
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)CCc1ccccc1	PC-id_89236968,SCHEMBL14055518	473.608	GQJYQNALOWEDHX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149203
C=CC(=O)NC1CCCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	PC-id_89237711,SCHEMBL14056357	473.608	IZLJKPABOHIRBX-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-149204
C=CC(=O)NC1CCCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	SCHEMBL14056206,PC-id_89237576	473.608	TYZVKOHUCBSSLS-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-149205
C=CC(=O)NCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	SCHEMBL14055747,PC-id_89237175	473.608	FMQXFTKAGNCFLQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149206
CCOc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]CCN2CCOCC2)sc2c1CCC2	GD-id_ZINC22938800	473.608	ILWVBZVJGZUXOY-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149207
s1c(NC(=O)[C@@H]([NH+]2CCN(CC2)CCOc2ccc(OC)cc2)C)c(c2CCCc12)C(=O)N	PC-id_30728870	473.608	YOSJTGMUWNYFRQ-INIZCTEOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149208
s1c(NC(=O)[C@H]([NH+]2CCN(CC2)CCOc2ccc(OC)cc2)C)c(c2CCCc12)C(=O)N	PC-id_30728875	473.608	YOSJTGMUWNYFRQ-MRXNPFEDSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149209
s1c(NC(=O)C([NH+]2CCN(CC2)CCOc2ccc(OC)cc2)C)c(c2CCCc12)C(=O)N	PC-id_74608182	473.608	YOSJTGMUWNYFRQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149210
S1(=O)(=O)CC(N(CCC(=O)Nc2sc3c(CCC3)c2C#N)Cc2ccc(OC)cc2)CC1	PC-id_55500172	473.608	GAKBUWLOKSRAIA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149211
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC)C(=O)OCC	PC-id_20127253	473.611	JUMLVYZHFNEAHY-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-149212
O=C(N1CCC(C1)C(C)(C)C)NCc1ccc(cc1C)c1ccnc(n1)Nc1cnn2c1CCC2	PC-id_118139389,SCHEMBL16794030	473.613	LVYYHYBVVWXVBQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149213
COc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_140882953	473.616	ODENZUOAORNUNN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149214
OCCN1CCN(CC1)Cc1sc2c(c1)CN(C2)C(=O)c1cc(C(C)C)c(cc1OC)OC	PC-id_141750765	473.628	IPQPCPMUOJAAII-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149215
Cc1ccc(/C=C/c2nc3s/c(=Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)/c(=O)n3n2)cc1	EMOLS-id_45966347,ZINC22_16736102	473.63	MUKRSLDHCXAZAH-CYYHYYEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149216
n12nc(nc1sc(=Cc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)c2=O)C=Cc1ccc(cc1)C	MCULE-7585578645	473.63	MUKRSLDHCXAZAH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149217
CC1(c2c(CN1CC(=O)Nc1ccc(cc1)OC)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_134426927,SCHEMBL20060559	473.631	CLZJTQFNBDLVHY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149218
CCOc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195438,SCHEMBL20348569	473.631	GTFKRKRAYCHZSM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149219
OCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C	SCHEMBL19537125	473.631	PWYVCTDPAVRVFB-GOSISDBHSA-N	00100010100000110001000010000000000000000000000000000000	25-01-149220
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19312145	473.631	SQJVCGBBUUBVOO-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149221
OC[C@@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537401	473.631	SQJVCGBBUUBVOO-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149222
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)NCC(c1ccccc1)O	SCHEMBL19537119	473.631	ZMZLMZYHRGIYPI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149223
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)NC[C@H](c1ccccc1)O	SCHEMBL19536402	473.631	ZMZLMZYHRGIYPI-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149224
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)NC[C@@H](c1ccccc1)O	SCHEMBL19537509	473.631	ZMZLMZYHRGIYPI-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149225
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(cc1)C(C)C	PC-id_41319804	473.631	CQDLWTGQUFUJSZ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149226
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1C1CC1)Cc1cccs1	PC-id_16347908,EMOLS-id_11792059,SCHEMBL20936176,MCULE-6335283770	473.635	VOMAYUSAQMFWMZ-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-149227
C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4183733,PC-id_41119145,ZINC22_9549065	473.635	VOMAYUSAQMFWMZ-LLVKDONJSA-N	00100010100100000001100010000000000000000000000000000000	25-01-149228
C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9549064,PC-id_41119144,CoCoCo_4183734	473.635	VOMAYUSAQMFWMZ-NSHDSACASA-N	00100010100100000001100010000000000000000000000000000000	25-01-149229
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331789490,MCULE-2662984145	473.651	DOJKWCRTMTWCKR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149230
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331790519,MCULE-3580789497	473.651	DVAKOBDJZRQOTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149231
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331791549,MCULE-4014416862	473.651	ZDTBJVXUMMHTBA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149232
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CC(C)C)sc2CCCc2c1C#N	MCULE-5079155619,EMOLS-id_331787709	473.651	JKANPMYBCITNKM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149233
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCC)sc2CCCc2c1C#N	MCULE-6032043462,EMOLS-id_331785151	473.651	AMPYPJACBIQLHQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149234
s1c2CCCc2cc1C(=O)NNC(=O)C(NC(=O)c1ccc(C(C)(C)C)cc1)CCSC	PC-id_24664596	473.651	KLQAZUVAGOOPJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149235
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)c(Cl)cc1	PC-id_44053004	473.772	WDPQICJCACYTRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149236
c1(NC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1089281477,EMOLS-id_334333615	473.8	KUNXESHJFPFERU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149237
C[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2C(C)CCc12)C(F)(F)F	PC-id_134285198,SCHEMBL19900909,BindingDB-id_799326	473.848	MLQYNXRLLITIES-HCCKASOXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149238
C[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@@H](C)CCc12)C(F)(F)F	BindingDB-id_799331,PC-id_134302823,SCHEMBL19920534	473.848	MLQYNXRLLITIES-GXSJLCMTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149239
C[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@H](C)CCc12)C(F)(F)F	PC-id_134302887,SCHEMBL19920602,BindingDB-id_799330	473.848	MLQYNXRLLITIES-MWLCHTKSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149240
CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2C(C)CCc12)C(F)(F)F	SCHEMBL19900910,BindingDB-id_987269,PC-id_134285199	473.848	MLQYNXRLLITIES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149241
CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@H](C)CCc12)C(F)(F)F	BindingDB-id_987273	473.848	MLQYNXRLLITIES-BFHBGLAWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149242
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(OC)c(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333679863,MCULE-7223274662	473.89	AUAMZYMEGWBIHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149243
Clc1c(N2CCN(CC2)C(=O)COC(=O)c2sc3CCCc3c2)ncc(c1)C(F)(F)F	PC-id_45637929	473.896	PTXZLMFVEWSBIU-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-149244
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C#C)C)Cl	SCHEMBL20252922,PC-id_134599021	473.9	DBUHJRNYAMAAQP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-149245
Clc1ccc(cc1)CN1Cc2c(C1)nc(s2)NS(=O)(=O)c1cccc(c1)C(F)(F)F	PC-id_144742176	473.92	PAVYHSKNBWHFIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149246
Clc1c(N2CCC(CC2)C(=O)Nc2sc3c(CCC3)c2C(=O)N)[nH+]cc(c1)C(F)(F)F	PC-id_41022739	473.92	NQCFRWKPOOZGNL-UHFFFAOYSA-O	00000010100010101000100010000000000000000000000000000000	25-01-149247
Cc1cc(C)n(c2ccc(Cl)c(C(=O)OCC(=O)Nc3sc4c(c3C(=O)N)CCC4)n2)n1	EMOLS-id_3223002,ZINC22_2652308,CoCoCo_2807742,MCULE-8889875342,PC-id_2115649	473.933	MZWFEOQODNQVKR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-149248
CCOc1ccc(OCc2nc3s/c(=Cc4c(Cl)nc5scc(C)n45)/c(=O)n3n2)cc1	EMOLS-id_324881923	473.956	GSGNDTSDXXRHPK-NVNXTCNLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-149249
COc1ccc(Cc2nc3s/c(=Cc4c(Cl)nc5scc(C)n45)/c(=O)n3n2)cc1OC	EMOLS-id_324924937	473.956	RNWHQIPFTSBYFZ-NVNXTCNLSA-N	00000000100000110001000110000000000000000000000000000000	25-01-149250
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-3603461442	473.956	RNWHQIPFTSBYFZ-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-149251
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1ccc(cc1)OCC	MCULE-2800420128	473.956	GSGNDTSDXXRHPK-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-149252
Clc1ccc(cc1)C(=O)c1c(NC(=O)c2ccc(cc2)CS(=O)(=O)C)sc2c1CCC2	PC-id_112818830	473.992	DBXLBSBQVRGARD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149253
c1(NC(=O)c2c(Cl)cnc(SCc3ccc(cc3)C)n2)sc2c(CCC2)c1C(=O)OC	PC-id_16446137,ZINC22_8916539,TIMTEC210971,EMOLS-id_9859708,MCULE-6240410434,CoCoCo_2237403	473.995	IDIAGCYLKQGVIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149254
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3C)n2)sc2c(CCC2)c1C(=O)OC	ZINC22_12062653,PC-id_16452384,MCULE-5625833424,EMOLS-id_9444388,TIMTEC66290,CoCoCo_2238303	473.995	AXWOBEVJCTYCST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149255
s1c(c2CCCc2c1Nc1ccccc1)C(=O)C(=O)c1sc(Nc2ccccc2)c2c1CCC2	PC-id_44513092	484.632	XSPQNNNJHGCCRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151940
c1(NC(=O)c2c(Cl)cnc(SCc3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)OC	MCULE-7141255989,EMOLS-id_9447872,ZINC22_8917107,TIMTEC187652,CoCoCo_2238333,PC-id_16446581	473.995	HDHFSBLKCTZVJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149256
Clc1c(N(S(=O)(=O)c2cc(C(=O)Nc3sc4CCCc4n3)ccc2)CC=C)cccc1	PC-id_33039747	473.995	JMCFJPXXTNWXIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149257
Clc1c(S(=O)(=O)N(CC=C)c2ccccc2)cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_30796770	473.995	VYCPHDCDDYKFME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149258
c1(NC(=O)c2c(Cl)cnc(SCC)n2)sc2c(CCC2)c1C(=O)NCc1cccnc1	TIMTEC390045,PC-id_16436582,CoCoCo_2210036,MCULE-5380314674,ZINC22_16751587,EMOLS-id_2636916	473.999	PUVVNAVTSMPVCK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-149259
CC1CN(C(CN1C)C(C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncc(cc1)Cl	PC-id_91970557	473.999	KFZHVKCGWJCAJH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-149260
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nn2)CC=C)cc1	PC-id_24497914	473.999	DLJQKDRJQCETNI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149261
CC(Cc1ccc(cc1)Cl)C(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	PC-id_135200422,SCHEMBL20354009	474.012	QIAXEQDXYVDUEE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149262
Clc1ccc(s1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_5099130	474.017	NRPMISNUDGXZQX-JTQLQIEISA-N	00000010100110000000000010000000000000000000000000000000	25-01-149263
Clc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_5099131	474.017	NRPMISNUDGXZQX-SNVBAGLBSA-N	00000010100110000000000010000000000000000000000000000000	25-01-149264
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_44027700	474.017	NRPMISNUDGXZQX-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-149265
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_44028869	474.017	GOLMUEQYFLWWPX-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-149266
NC(=O)c1c(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(Cl)s2)sc2CCCc12	PC-id_26843676,MCULE-4037075996,EMOLS-id_22740203,CoCoCo_2590315,ZINC22_15882786	474.017	ZTTONXSELNFCNA-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-149267
Cc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Cl	PC-id_140882996	474.071	XAFLBEJIUVCUKW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149268
Clc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140882934	474.071	URBMDIGEADOIPC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149269
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(C)cccc1Cl	PC-id_140883035	474.071	JGOVMEMTJCNQGO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149270
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC(=C(C=C3)F)F)Cl)NS(=O)(=O)N4CCC(CC4)O	PC-id_155278706	474.094	PTBSPBUFMLHREP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149271
CC(C(F)(F)F)NS(=O)(=O)C1=C2C(=C(N1C)C(=O)NC3=CC(=NC(=C3)F)C#N)CCN2C	PC-id_155278804	474.11	HRNTXMDACUCGQV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149272
CC1=C(C=CC(=C1NC(=O)N=S(=O)(C2=C3N(CC(O3)(C)C)N=C2)N)C4=CC(=NC=C4)OC)F	PC-id_165370021	474.149	ZSDOEMHRJRFGPZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-149273
CC1=C(SC(=N1)CCC(C)(C)F)SN2C=C3CN(CC3=N2)C(=O)C(CO)C4=CC=CC=C4	PC-id_164872242	474.156	QCSFLAHNFWDYGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149274
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=CNN)N)C(=O)Nc1c(c(ccc1)Cl)F	PC-id_163759757	474.158	LXETZQNHIIREER-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149275
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C(=CN)NN)C(=O)NC4=C(C(=CC=C4)Cl)F	PC-id_161981447	474.158	YPSAWSLQXCVOFK-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149276
Brc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c(Br)ccc1	PC-id_60594272	474.167	DVNRDRMRKNRXCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149277
Brc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(Br)c1	PC-id_24494961	474.167	QWDSVDFUBRLSTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149278
COc1c(Br)cc(Br)cc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_16194466,PC-id_4503428	474.167	DYYOBPIMSZRUEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149279
C[C@@H](c1ccc(cc1)C(=C)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)F	PC-id_163809063	474.168	HFILKZOIKFAVFV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149280
CCOC1CN2C(=C(C=N2)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N)O1	PC-id_165370168	474.173	WGAACQIJZQFJPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149281
COCC1CN2C(=C(C=N2)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N)O1	PC-id_165370064	474.173	LVJQENQQMUVMRK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149282
Brc1sc(Br)c2SC(C(CCCCC)CC)(C(F)c12)C(=O)O	PC-id_71060045,SCHEMBL14055070	474.247	NAOKORWLAZIJTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149283
C[C@H]1CN(CCN1C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(cc(cc1)F)F)O)C1CCC1	PC-id_163828958	474.255	OBZVCNKDABYPGN-JRQMZCAUSA-N	00001010100010110001100010000000000000000000000000000000	25-01-149284
C[C@H]1CN([C@@H](CN1C(=O)N2CC3=C(C2(C)C)NN=C3NC4=NC(=NC=C4F)CCCOC)C)C	PC-id_153159753	474.287	WCCXFBCMTVMEID-CABCVRRESA-N	00000010100010100001000010000000000000000000000000000000	25-01-149285
Cc1nc(CCC(=O)NCc2nnc3n2C[C@H](C(=O)O)C3)oc1c1ccc(Br)cc1	ZINC22_2325852126	474.308	UGJOTDIHPXZJCW-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149286
Cc1nc(CCC(=O)NCc2nnc3n2C[C@@H](C(=O)O)C3)oc1c1ccc(Br)cc1	ZINC22_2325852127	474.308	UGJOTDIHPXZJCW-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149287
Cc1c(c(=O)n([nH]1)c1ccc(cc1)I)/C=N/c1c(c2c(s1)CCC2)C#N	PC-id_135444175	474.318	FSDQECPAPTWTFK-LSHDLFTRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149288
CC1=NN(c2ccc(I)cc2)C(=O)/C/1=CNc1sc2c(c1C#N)CCC2	EMOLS-id_45931502,PC-id_5437331,CoCoCo_121816,SPECS-id_AG-690/11820032,ZINC22_100552426	474.318	OOTQLSXFVKVZEB-YBEGLDIGSA-N	00000011100000110001100010000000000000000000000000000000	25-01-149289
CC1=NN(c2ccc(I)cc2)C(=O)/C/1=C/Nc1sc2c(c1C#N)CCC2	ZINC22_101122306,CoCoCo_121817,EMOLS-id_49396689	474.318	OOTQLSXFVKVZEB-MHWRWJLKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-149290
Ic1ccc(n2[nH]c(=C)c(=CNc3sc4CCCc4c3C#N)c2=O)cc1	PC-id_4049262	474.318	MOWQEMXXGXXNMW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149291
N1(c2ccc(cc2)I)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=N1)C	MCULE-6837416862,PC-id_22303756	474.318	OOTQLSXFVKVZEB-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-149292
C/C=CC1=C(C=C)C(n2c1cnc2)CC(C1CCC(CC1)C(I)(F)F)O	SCHEMBL20386426,PC-id_135228867	474.327	LBTZPQKTEDIAKK-HYXAFXHYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-149293
COc1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324846846	474.328	NRSSHFLYLGJIRB-WJDWOHSUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149294
COc1cc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324869126	474.328	FUJWHHXOMFJSNN-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149295
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)CCOc1ccccc1	MCULE-6095656126	474.328	NRSSHFLYLGJIRB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149296
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1ccc(cc1)C	MCULE-7971470876	474.328	FUJWHHXOMFJSNN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149297
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(OC)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24946955,SCHEMBL1985621	474.34	ICMWLTMRBJASLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149298
Brc1cc(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)cc1)C	PC-id_16947284	474.346	KYZQHMTVOQIZGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149299
Brc1c(cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(F)cc2)cc1)C	PC-id_16947289	474.346	WRXVLKUJCJWADI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149300
Brc1ccc(S(=O)(=O)Nc2cc(C(=Nc3n(nc4c3CCC4)C)[O-])ccc2)cc1	PC-id_52300217	474.351	CGBYVNZKQNUOIV-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-149301
Brc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3CCCc23)cc1	EMOLS-id_24848818,ZINC22_1160430,PC-id_1329115,MCULE-4351390548	474.371	RSTYWGSDXDDDMU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-149302
CCOC(=O)c1c(N/C=C/C(=NN(C2=O)c2ccc(Br)cc2)C)sc2CCCc12	EMOLS-id_45940835,PC-id_6245563,CoCoCo_6937098,SPECS-id_AN-465/41855417,ZINC22_101144155	474.371	BUGUENGYFITOOU-WJDWOHSUSA-N	00000011100000110001100010000000000000000000000000000000	25-01-149303
CCOC(=O)c1c(N/C=C/2C(=NN(C2=O)c2ccc(cc2)Br)C)sc2c1CCC2	CoCoCo_6937099	474.371	BUGUENGYFITOOU-LFIBNONCSA-N	00000011100000110001100010000000000000000000000000000000	25-01-149304
CCOC(=O)c1c(sc2c1CCC2)/N=C/c1c([nH]n(c1=O)c1ccc(cc1)Br)C	PC-id_135418751	474.371	VZQZTVPSMHPXMG-FOKLQQMPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149305
N1(c2ccc(cc2)Br)C(=O)C(=CNc2sc3c(CCC3)c2C(=O)OCC)C(=N1)C	PC-id_5433354,MCULE-8430943180	474.371	BUGUENGYFITOOU-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-149306
Brc1ccccc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324822523	474.372	BFNFPRSGNFPMIG-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149307
Brc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1	EMOLS-id_324824568	474.372	RXWGJRNSZGZMIT-HKWRFOASSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149308
n12c(=O)c(=Cc3ccc(cc3)Br)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-5914321913	474.372	RXWGJRNSZGZMIT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149309
n12c(=O)c(=Cc3ccccc3Br)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-9610347977	474.372	BFNFPRSGNFPMIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149310
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1Cc2c(C1=O)scc2Br)OC	SCHEMBL20579910,PC-id_137355451	474.389	XFHCMUBDPBGCCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149311
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1Cc2c(C1=O)scc2Br)OC	PC-id_137355450,SCHEMBL20579909	474.389	XFHCMUBDPBGCCI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149312
C1CN(CCC1c1ccccc1C(F)(F)F)C(=O)c1n[nH]c2c1CN(C2)C(=O)CC(F)(F)F	PC-id_86267510,SCHEMBL20696200	474.4	QMQRUBJNNVWWJU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149313
CC(C)c1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324917248	474.403	QTNVHAXQDFMRGY-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149314
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(cc3)C(C)(C)C)/c(=O)n2n1	EMOLS-id_324911624	474.403	UZLWLQAMTLWSAA-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149315
n12c(=O)c(=Cc3ccc(cc3)C(C)(C)C)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-7465955732	474.403	UZLWLQAMTLWSAA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149316
n12nc(nc1sc(=Cc1ccc(C(C)C)cc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6634562135	474.403	QTNVHAXQDFMRGY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149317
CC1(c2nn(c(c2CN1C(=O)O)NC(=O)c1c(cc(cc1)N1CCOCC1)[N+](=O)[O-])C(=O)O)C	PC-id_91128845	474.424	QCOVGMXNFDDCNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149318
Oc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740113	474.432	BRXCEMSSRZDNMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149319
Oc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740111	474.432	BRXCEMSSRZDNMW-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149320
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=N/N)/C=N)C(=O)Nc1cc(c(cc1F)F)F	PC-id_134303062	474.436	PUEDERCBTGXEBY-UYCXFFBVSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149321
N/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1cc(F)c(cc1F)F)N=N	SCHEMBL19920784	474.436	MIFUEAZPBKSSGB-VDYXTCIISA-N	00100010100000110000000010000000000000000000000000000000	25-01-149322
Brc1cccc(n1)CCCCCC1(CCCCC1)C(=O)N1Cc2c(C1)c(nn2C)N	PC-id_144155907	474.437	VPRFHHOMEHBCGC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-149323
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)S(=O)c1ccc(cc1)OC(F)(F)F	PC-id_91007246,SCHEMBL5544413	474.454	ZOGLKNGEZJOXBR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149324
O=S(c1ccc(cc1)OC(F)(F)F)C1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5544406,PC-id_69481771	474.454	ZOGLKNGEZJOXBR-DVYMHAMMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149325
COc1ccc(/C=c/sc3nnc(CCC(=O)Nc4cccc(C(F)(F)F)c4)n3c2=O)cc1	SPECS-id_AT-225/NB57353,ZINC22_17191796	474.456	ZGSQXJDKPNRYSI-GZTJUZNOSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149326
COc1ccc(/C=c/2sc3nnc(CCC(=O)Nc4cccc(C(F)(F)F)c4)n3c2=O)cc1	ZINC22_1618368,NSC625826	474.456	ZGSQXJDKPNRYSI-BOPFTXTBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149327
CC(Oc1cc(Oc2ccc(cc2)P(=O)(O)O)cc(c1)C(=O)Nc1sc2c(n1)CCC2)C	SCHEMBL12021397,PC-id_58528987	474.467	XTLUZEHPXQIPHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149328
OCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	PC-id_24772744,SCHEMBL2162122	474.469	DOEOHBZHSSWFEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149329
CC1CCc2nn(Cc3ccc(c(Br)c3)C(F)(F)F)c(I)c12	MCULE-2241311013,EMOLS-id_330964664	485.081	YYLUSQHMAUGMAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152032
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]cc2NC(=O)c1ccccc1C(=O)N	PC-id_68987055,SCHEMBL4285754	474.48	MFMMWEOWVGCFAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149330
c1(NC(=O)c2cc(cc(c2C)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334338464,MCULE-5460575875	474.487	HEFGZOPVXVPSPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149331
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9785145002,EMOLS-id_334338467	474.487	MFSJQLYMQOQUEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149332
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)cc1)C(=O)N	PC-id_4401349	474.487	STCGMGQGCGVQEG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149333
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)C(=O)OCC)sc2CCCc2c1C#N	MCULE-7737806937,EMOLS-id_333663691	474.49	VMZQONAWGWSBIQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149334
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(F)(F)F)CC(=O)NCCc2ccccc2)C1	PC-id_44053763	474.499	NUSPELMIYQJODW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149335
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C(F)(F)F)CC(=O)NCCc2ccccc2)C1	PC-id_44053764	474.499	CFLUWHBMXGTKAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149336
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C(F)(F)F)CC(=O)NCCc2ccccc2)C1	PC-id_44053765	474.499	FEAAQJRMPJASKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149337
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(C)(C)C(=O)NC)C)C(F)F	SCHEMBL20252969,PC-id_134599068	474.5	OEYWEISADRFIQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149338
COCCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1=C)[nH]nc2NC(=O)c1ccc(cc1F)F	SCHEMBL18155622,PC-id_122626084	474.504	RUBWNPCZDDAWSP-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149339
s1c2CCCc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2c(OC)ccc([N+](=O)[O-])c2)cc1	PC-id_30796783	474.51	MEZCNQGBZMUTDZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149340
CCc1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(Cc2ccc(OC)cc2)n1	PC-id_155268848,CHEMBL4465252	474.512	YXPCTIOZRSMTHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149341
CC(C(=O)N1CC2(C1)c1ccccc1N(C2=O)Cc1nc2c(n1CCCC(F)(F)F)CCC2)C	SCHEMBL18138919,PC-id_122610680	474.519	ZJGIOBQGRPXIQK-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-149342
c1(NC(=O)C(C)Sc2nc(c3ccccc3)cc(n2)C(F)(F)F)sc2c(CCC2)c1C#N	BindingDB-id_130555,BAS-03153302,EMOLS-id_1419449,MCULE-6964421519,BindingDB_PC-id_3145569,TIMTEC514843,PC-id_3145569,ChEMBL-DNDi_CHEMBL1610868	474.522	VYBBFSDAMNRKRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149343
C[C@@H](Sc1nc(c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1sc2c(c1C#N)CCC2	CoCoCo_279680,ZINC22_2798738,PC-id_40444348	474.522	VYBBFSDAMNRKRR-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149344
C[C@H](Sc1nc(c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_2798737,PC-id_40444347,CoCoCo_279681	474.522	VYBBFSDAMNRKRR-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149345
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1c(OC(F)F)cccc1)C#N	PC-id_37451332	474.523	VJFCDHLUOUEWMS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149346
CCOC(=O)c1[nH]c(c(c1CCC(=O)OCC)CC(=O)OCC)/C=C/1C(=O)Nc2c1ccs2	SCHEMBL7150198	474.527	WAWVBBWGOQCNJH-WJDWOHSUSA-N	00000010110000000000000010000000000000000000000000000000	25-01-149347
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OC(C)C)cc1)C(=O)OC	PC-id_45620722	474.527	JDHFOWPTYYTAII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149348
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1c(OCC)cccc1)C(=O)OCC	PC-id_42964649	474.527	DEYVDJVBALDGFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149349
s1c2NC(=O)C(=Cc3[nH]c(c(c3CC(=O)OCC)CCC(=O)OCC)C(=O)OCC)c2cc1	PC-id_70004859	474.527	WAWVBBWGOQCNJH-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-149350
s1c2c(CCC2)c(c1NC(=O)C1SC(=Nc2ccc(F)cc2)C(=C1N)C(=O)N)C(=O)OC	PC-id_4431560	474.528	SKHLMFGEEGLLQH-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-149351
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1n(c2ccc(F)cc2)c(SC)nc1)C(=O)N	PC-id_42984405	474.528	JRJOMMNMPFBGHR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149352
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1scc(n1)CC(=O)OCC	PC-id_16947293	474.528	TXBMSELPLKWJPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149353
c1(NC(=O)COc2cccnc2NC(=O)OCCOCCOCC)sc2c(CCC2)c1C#N	EMOLS-id_321796390,MCULE-5334764530	474.53	YXSOZNIOVFNEMZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149354
CC1(Cn2cc(nc2O1)[N+](=O)OC(C)(C)C)COc1ccc(cc1)COC(=O)N1CCNCC1	PC-id_90921178	474.53	ZNNXXDVMCTUFIC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149355
C[C@@](CCN1Cc2cc(C#CC#CC3CN(C4COC4)C3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL17080496,CHEMBL4548003,PC-id_118368757	474.53	IPQXVVDWTSLWOF-JOCHJYFZSA-N	00001010100000000001100010000000000000000000000000000000	25-01-149356
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCOCC1	PC-id_89238395,SCHEMBL14057131	474.53	ZZZIPDMDOPMCHR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149357
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C1COC1)C	PC-id_118368758,SCHEMBL17080497	474.53	IPQXVVDWTSLWOF-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-149358
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_49710398	474.53	OQZBTQSAAFQROL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149359
s1c2CCC(c2nc1NC(=O)CN1CCN(C1=O)c1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_49711394	474.53	WJNCLMVEWFAINB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149360
C1c2c(CN1S(=O)(=O)Cc1ccccc1)n(nc2)NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_90881516	474.532	KZMHMPDXHBOTLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149361
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)C)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_9205907,PC-id_16453065,STOCK6S-02119,EMOLS-id_2644234,MCULE-8638050705,TIMTEC282049,CoCoCo_2236144	474.532	LEEJMXTXEGDECL-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149362
c1(NC(=O)c2c(=O)ccn(c3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_16106531,ZINC22_9206071,MCULE-6448514021,CoCoCo_2236208,PC-id_23608228	474.532	JKJIBEBJQRQYNX-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149363
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C#N	MCULE-9457394997,EMOLS-id_323192456	474.532	RTRDIICWQLNJAH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149364
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2cccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-5839730371	474.532	RJUSNLLPKFILGR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149365
c1(NC(=O)COc2cccnc2NC(=O)CCC(=O)c2ccccc2)sc2c(CCC2)c1C#N	MCULE-9441996327,EMOLS-id_321807216	474.532	PITRHYIVAFHJAO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149366
COc1cccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_321802879	474.532	RJUSNLLPKFILGR-ZHACJKMWSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149367
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL2916667,PC-id_10162490	474.532	DGLMARQVBIFCIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149368
c1(NC(=O)COc2nonc2CC(=O)NCCCN2CCOCC2)sc2CCCc2c1C#N	MCULE-6013392997,EMOLS-id_333687376	474.533	CVPPBGLACOQFEM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149369
Cc1c(cccc1c1cc(Nc2ccncn2)c(=O)n(n1)C)NC(=O)c1cc2c(s1)CCC2O	PC-id_134355421,SCHEMBL19981821	474.535	UTTJMTFQHHDUSN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149370
s1c2CCC(O)c2cc1C(=O)Nc1c(c(ccc1)C1=CC(=Nc2nn(c(c2)C)C)C(=O)N=N1)C	PC-id_76817634	474.535	QBSRZQUANPGENL-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-149371
CCCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F	SCHEMBL6376544,PC-id_69758511	474.547	IMKMEBHZWWEZMJ-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149372
CCCN1CC(N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(cc(cc1)F)F)C	PC-id_91179158	474.547	QDEBAUVGRYFTEJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149373
c12c(CCC1C(=O)OCC)sc(NC(=O)C1CCN(CC1)CC(=O)Nc1ccc(cc1)F)n2	MCULE-2626858193,PC-id_45497720,EMOLS-id_30764465	474.548	LKFXOEDPXGOEDN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149374
CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nc12	PC-id_51895284,ZINC22_38581059	474.548	LKFXOEDPXGOEDN-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149375
CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nc12	ZINC22_38581058,PC-id_51895282	474.548	LKFXOEDPXGOEDN-QGZVFWFLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149376
c1(NC(=O)C=CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)sc2c(CCC2)c1C(=O)OC	PC-id_4089247,EMOLS-id_300241762,MCULE-1286125372	474.55	YBDRWURUVLBYBJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149377
COC(=O)c1c(NC(=O)/C=CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)sc2c1CCC2	CoCoCo_1766735	474.55	YBDRWURUVLBYBJ-KTKRTIGZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149378
COC(=O)c1c(NC(=O)/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCC3)sc2c1CCC2	PC-id_6378988,CoCoCo_1766734,ChemDIV4052-3055,EMOLS-id_26183368,ZINC22_12625427	474.55	YBDRWURUVLBYBJ-MDZDMXLPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149379
O=C(Nc1sc2c(c1C(=O)[O-])CCC2)CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	PC-id_1947863,GD-id_ZINC02333545	474.55	MTNZUHVTNIZVER-UHFFFAOYSA-L	00000010100000000000000010000000000000000000000000000000	25-01-149380
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2occc2)C)cc1)C(=O)OC	PC-id_43947527	474.55	ZUIZCWNVUICMBI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-149381
OCC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)C(C)C	PC-id_57791625,SCHEMBL13786564	474.553	XHNXQRRGHXVCOL-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149382
OCC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)C(C)C	PC-id_57791729,SCHEMBL13786563	474.553	CYXHYRVUCXSLQE-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149383
OCC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)C(C)C	SCHEMBL13786540,PC-id_57791591	474.553	XHNXQRRGHXVCOL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149384
OCC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)C(C)C	PC-id_57791669,SCHEMBL13786539	474.553	CYXHYRVUCXSLQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149385
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)C(c1ccccc1)OC	SCHEMBL2685432,HMDB0250854,EMOLS-id_300421563,PD055933,PC-id_21874004,MCULE-4836624182	474.555	XKFTZKGMDDZMJI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149386
CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1	PC-id_11994441,BindingDB_PC-id_11994441,CHEMBL384575,BindingDB-id_23392	474.555	XKFTZKGMDDZMJI-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149387
OC[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1	SCHEMBL10013587,PC-id_58119073	474.555	VDEAKRVENVKRSC-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149388
O(C(C(=O)n1cc2C(NNc2c1)NC(=O)c1ccc(N2CCN(CC2)C)cc1)c1ccccc1)C	PC-id_73067958	474.555	CBAWHLXUBVCYGG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149389
COc1cccc(OCc2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)n2N)c1	CoCoCo_4182623,ZINC22_21621746,MCULE-3004242433,PC-id_29643485,EMOLS-id_23645273	474.556	WXASCSMCLYJJER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149390
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCC(=O)N)Cc1occc1)C(=O)N	PC-id_30284231	474.556	MHAHTOCFJMUKFY-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-149391
CC1(c2c(CN1C(=O)O)c(n[nH]2)Nc1nc(nc(c1)N1CCN(CC1)C)C=Cc1ccccc1)C	PC-id_89366080	474.558	LKINZCSSUOIPHV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149392
CN1CCN(CC1)c1cc(nc(n1)/C=C/c1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O	SCHEMBL14546513	474.558	LKINZCSSUOIPHV-MDZDMXLPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149393
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1c2c([nH]n1)CN(C2)C(=O)[C@@H](c1ccccc1)OC	EMOLS-id_31229903,BindingDB-id_370808,LAS-29758683,ZINC22_6718723,ChEMBL-DNDi_CHEMBLMMV676600,SPECS-id_AT-229/JK30543,CHEMBL402548,CHEBI:94490,PC-id_11442891,MCULE-1841941964,TT-id_D02RJY,BindingDB_PC-id_11442891,MCULE-4216266063,SCHEMBL466509,PD011133,DB11778,GRAC-id_7937	474.565	XKFTZKGMDDZMJI-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149394
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7628221477	474.57	QHEDOLDDBOAEMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149395
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2	ZINC22_9130665,EMOLS-id_3397021,CoCoCo_2840766,MCULE-2662759900,PC-id_4782216	474.57	PFMWYJKBUSRNCO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149396
COCCCNC(=O)c1c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)sc2CCCc12	EMOLS-id_334388246	474.57	QHEDOLDDBOAEMP-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149397
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(OCC)c(OCCCC)cc1)C)C(=O)N	PC-id_30500676	474.57	SPIKDWRKUKPQOT-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149398
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(OCC)c(OCCCC)cc1)C)C(=O)N	PC-id_30500678	474.57	SPIKDWRKUKPQOT-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149399
s1c2c(CCC2)c(c1NC(=O)[C@@H](OC(=O)c1cc(OC)c(OCCC(C)C)cc1)C)C(=O)N	PC-id_51643009	474.57	NHXAUFAGIHSEGL-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149400
s1c2c(CCC2)c(c1NC(=O)[C@H](OC(=O)c1cc(OC)c(OCCC(C)C)cc1)C)C(=O)N	PC-id_51643010	474.57	NHXAUFAGIHSEGL-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149401
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(OCC)c(OCCCC)cc1)C)C(=O)N	PC-id_85465847	474.57	SPIKDWRKUKPQOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149402
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1cc(OC)c(OCCC(C)C)cc1)C)C(=O)N	PC-id_24495613	474.57	NHXAUFAGIHSEGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149403
c1(NC(=O)C=Cc2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8767099233	474.571	NQESKSSRTMFUDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149404
COC(=O)c1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334329006	474.571	NQESKSSRTMFUDG-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149405
COC(=O)[C@]1(CCNC(=O)[C@@]2(C)Cc3c(S2(=O)=O)sc(c3)S(=O)(=O)N)CC=CC=C1	PC-id_67856059,SCHEMBL9459132	474.571	NYUSCTDXTVQKLX-MSOLQXFVSA-N	00000010100011000000000010000000000000000000000000000000	25-01-149406
COC(=O)[C@]1(CCNC(=O)[C@]2(C)Cc3c(S2(=O)=O)sc(c3)S(=O)(=O)N)CC=CC=C1	PC-id_67856079,SCHEMBL9459380	474.571	NYUSCTDXTVQKLX-ROUUACIJSA-N	00000010100011000000000010000000000000000000000000000000	25-01-149407
Fc1cccc(c1)NC(=O)C[N@@H+]1CCN(CC1)[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC22789303,PC-id_30625920	474.571	WGBYNNAIXWYLJQ-AWEZNQCLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149408
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)C)C(=O)N	PC-id_30737165	474.571	FPQKWWVJTZULJM-CQSZACIVSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149409
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)C)C(=O)N	PC-id_30737169	474.571	FPQKWWVJTZULJM-AWEZNQCLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149410
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)Nc1cc(F)ccc1)C)C(=O)N	PC-id_30625930	474.571	WGBYNNAIXWYLJQ-CQSZACIVSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149411
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)C)C(=O)N	PC-id_74608640	474.571	FPQKWWVJTZULJM-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149412
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)Nc1cc(F)ccc1)C)C(=O)N	PC-id_85468629	474.571	WGBYNNAIXWYLJQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149413
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccc(F)cc1)C(=O)OCC	PC-id_19729621	474.571	DTOCMIZNEJHUBJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149414
S1(=O)(=O)C(Cc2c1sc(S(=O)(=O)N)c2)(C)C(=O)NCCC1(CC=CC=C1)C(=O)OC	PC-id_77367407	474.571	NYUSCTDXTVQKLX-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-149415
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCO)sc2CCCc2c1C#N	EMOLS-id_331928084,MCULE-8294433785	474.573	BYISIVPLHPNWBV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149416
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CC(C)O)sc2CCCc2c1C#N	MCULE-2608794195,EMOLS-id_331925278	474.573	MEUWUKQNZKFAND-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149417
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCOC)sc2CCCc2c1C#N	EMOLS-id_331919384,MCULE-2900516747	474.573	OWJMKSZLTKDXDN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149418
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCOC)sc2CCCc2c1C#N	MCULE-1901488772,EMOLS-id_331920413	474.573	VPTJZJFTDUQJHJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149419
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCC)sc2CCCc2c1C#N	EMOLS-id_331921170,MCULE-2257207010	474.573	PJDDTUFQWMQGNM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149420
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(OCC)c(OCC)cc1	PC-id_44053143	474.573	JHZXYHYBUHRONL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149421
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321805691,MCULE-1737316950	474.575	BZMPOVMIERPAMA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149422
c1(NC(=O)COc2cccnc2NC(=O)CCCc2ccc(C)cc2)sc2c(CCC2)c1C#N	EMOLS-id_321807984,MCULE-3251584042	474.575	OUYRPXVDQGQHBO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149423
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CC=C)sc2CCCc2c1C#N	MCULE-1621387449,EMOLS-id_332715072	474.575	MZRLPKABTVAGAQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149424
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CC=C)sc2CCCc2c1C#N	MCULE-6075991218,EMOLS-id_332715330	474.575	UFBXFIAOSVTPLQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149425
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332717377,MCULE-8227959246	474.575	SOSRHORYRUFQRO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149426
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324918798	474.575	AXYWMGSKSBVEBI-GATDWBHXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149427
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)C=Cc1ccc(cc1)C	MCULE-8385481978	474.575	AXYWMGSKSBVEBI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149428
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C=CC=C2)C1)C(=O)NCCc1ccccc1	PC-id_78396908	474.575	NCAPHBINWZOYJR-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-149429
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_16947158	474.575	DEEXJEJKNOMARJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149430
c1(NC(=O)COc2nonc2CC(=O)NCCCCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_333686353,MCULE-4463893724	474.576	QAIJPZBDPHUZAH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149431
CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1=O	CoCoCo_3970406,PC-id_16379751,EMOLS-id_11840724,MCULE-5707842506,ZINC22_10276651	474.576	ZZKLTJNVILBZHF-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-149432
s1c2CCCc2c(c1NC(=O)CCN(c1c(n(CCCC)c(=O)[nH]c1=O)N)CCOC)C#N	PC-id_56099258	474.576	LWEVRKCVNUTLQE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-149433
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(cc1)C#N	PC-id_40882296	474.576	CXLUQXKPMYPSNX-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149434
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1c(cccc1)C#N	PC-id_40895494	474.576	XJZSPBRBLIXHDC-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149435
CN(c1cc2=NC(=C(c3c(cc(cc3)c3ccncc3)N)N)C=c2s1)C(=O)CN1CCOCC1	PC-id_90077496	474.578	KDQSZLNZAJGCMD-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-149436
COc1cccc(c1)n1c(CNC(=O)c2n[nH]c3CCCc23)nnc1SCCc1ccccc1	MCULE-5341218224,CoCoCo_1628341,PC-id_26363013,ZINC22_15008034,EMOLS-id_20737575,CoCoCo_1628342	474.578	HWOGUUGAOJZDNP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149437
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC=C)CC=C)sc2c(CCC2)c1C(=O)OCC	PC-id_3452094,ChEMBL-DNDi_CHEMBL3338-3930,EMOLS-id_15925497,CoCoCo_1738087,MCULE-1937974821,ZINC22_17297517	474.593	QPHJLIUXHYDLDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149438
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1)C(=O)OCC	PC-id_4947223	474.593	SEHNIZWIZVUODU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149439
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1)C(=O)OC	PC-id_4934704	474.593	ZQJXALRITOMWAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149440
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCN(CC2)CC)sc2CCCc2c1C#N	EMOLS-id_333771092,MCULE-4427157570	474.596	AEUQSENHQUXKRQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149441
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-5475636292,EMOLS-id_331788476	474.596	NIHXYWZHHFEDLC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149442
CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-2899898167,EMOLS-id_321722419	474.596	SATHUSRMGROIKJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149443
COc1ccc(C)cc1S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_321768741,MCULE-7480722205	474.596	FTWQTYVVZZNFTQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149444
NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)sc2c1CCC2	PC-id_17554157,ZINC22_35296264,CoCoCo_3374412	474.596	SPVZBWOSSFTBJC-NTEUORMPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149445
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCN(CC1)S(=O)(=O)/C=Cc1ccccc1	CoCoCo_3374413	474.596	SPVZBWOSSFTBJC-ZROIWOOFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149446
O=C(Nc1sc2c(c1C(=O)N)CCC2)CN1CCN(CC1)S(=O)(=O)C=Cc1ccccc1	EMOLS-id_43859481,PC-id_72036685,MCULE-5939696907	474.596	SPVZBWOSSFTBJC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149447
s1c2c(CCC2)c(c1NC(=O)CN(CCC)Cc1oc(nn1)c1sccc1)C(=O)OCC	PC-id_24428680	474.596	BONIWUNOCYSUFJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-149448
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1sc2n(nc(c2c1)C)CC(C)C)C)C(=O)N	PC-id_24498919	474.596	CPIKTVQWFUBEAO-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-149449
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC(C)C)c(nn1)c1occc1)C(=O)OCC	PC-id_16513522	474.596	GXWFWUVTXHWBKV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-149450
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(occ1)C)C(=O)OCC	PC-id_19726328	474.596	YZLAWGSWIIHFHZ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-149451
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(occ1)C)C(=O)OCC	PC-id_19726458	474.596	WYZDXZVKDJQZLX-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-149452
s1c2c(CCC2)c(c1NC(=O)CSC1NNC(Cc2ccccc2)C(=O)N1)C(=O)OCC	PC-id_73261770	474.596	FXBGRUCHXJXONS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149453
CCc1cccc(c1NC(=O)NN1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C)CC	PC-id_10183959,SCHEMBL2922807	474.598	SFNUAYGUJZAKJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149454
s1c2CCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(N2CCOCC2)nn1)C#N	PC-id_16585636	474.6	FFABEVAAOUOBJL-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-149455
c1(NC(=O)c2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388254,MCULE-2653795786	474.613	QVTGFRYDDJQQOC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149456
c1(NC(=O)COc2ccc(cc2C(C)(C)C)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386712,MCULE-6003620612	474.613	RAZNUHIEWCOWDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149457
c1(NC(=O)C(c2ccccc2)Cc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332331,MCULE-5352598513	474.614	DKQKPQZKEQDBMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149458
s1c2c(CCC2)c(c1N(Cc1cc(OC)c(OCCc2ccccc2)cc1)C(=O)C(C)C)C#N	PC-id_50887391	474.614	NAODIAWZKQRCFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149459
s1c2c(CCC2)c(c1N(Cc1cc(OC)c(OCCc2ccccc2)cc1)C(=O)CCC)C#N	PC-id_50887437	474.614	TYAIVHHUAMWQGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149460
COCC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C	SCHEMBL19312205	474.616	SAGBYFKVQCUCLI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-149461
OCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)Oc1ccccc1	SCHEMBL19537504	474.616	OFXSGPRTEBYRIE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149462
OC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537521	474.616	FEQQMZBXAIRKTI-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149463
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)OCC(c1ccccc1)O	SCHEMBL19537496	474.616	QKRSTRXTPNTKSF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149464
c12c(CCC1C(=O)NC1CCN(CC1)Cc1ccccc1)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_16947641,EMOLS-id_30764763,MCULE-1569209788	474.618	CUTXVWNJLZGDBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149465
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	PC-id_40946225,ZINC22_9132359	474.618	CUTXVWNJLZGDBB-JOCHJYFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149466
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	ZINC22_9132358,PC-id_40946223	474.618	CUTXVWNJLZGDBB-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149467
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)N	PC-id_51637377	474.618	OZAIGLGGKVYNIC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149468
s1c2CCC(C(=O)N3CCN(CC3)CCc3ccccc3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947638	474.618	FURMPZUCUFUSFC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149469
CCOC(=O)c1c(NC(=O)CSc2nnc(NCc3ccccc3)s2)sc2c1CCC2	MCULE-4750528811,ZINC22_3226922,EMOLS-id_43752469,PC-id_2345094,CoCoCo_3003606	474.619	UPTGUSXDCYQTQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149470
OCC(c1ccccn1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537135	474.619	BQWXVSKREMIRDW-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-149471
OCC(c1cccnc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537534	474.619	GPOFRQPXSDSTEJ-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-149472
s1c2c(CCC2)c(c1NC(=O)CCN(C1C(N(CCCC)C(=O)NC1=O)N)CC(C)C)C#N	PC-id_76300508	474.619	YGJUEYIIZCAIAK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149473
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC=C)C(=O)OC	PC-id_19717850	474.619	KEUUGQUWCMBLFQ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-149474
CC1CCc2nn(Cc3ccc(cc3Br)C(F)(F)F)c(I)c12	MCULE-4623423227,EMOLS-id_330962104	485.081	HGHIQZRYBJZEPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152033
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)CC=C)C(=O)OCC	PC-id_19725555	474.619	JFJJTWVAOLEBHE-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-149475
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC=C)C(=O)OC	PC-id_20127611	474.619	KVVRRKRCBAXBRR-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-149476
NCCc1nnc2n1N=C(C2=Nc1ccc(cc1C)N(CCNS(=O)(=O)C)CC)C(C)(C)C	PC-id_100915290	474.623	ZZFNNPKFMCMMRU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-149477
c1(NC(=S)NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_19188733,MCULE-7044938328	474.636	MRFPUXKFJBNJOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149478
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCCCCC)cc1)C(=O)OCC	PC-id_4933943	474.636	TXVQRQXMVWVMEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149479
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCCCCCC)cc1)C(=O)OC	PC-id_4950890	474.636	PEOUUJRXTAANCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149480
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCCCCC)cccc1)C(=O)OCC	PC-id_4942521	474.636	QTNLISYSXOALRT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149481
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331790266,MCULE-5806114867	474.639	MJBYSFDWIJFMCC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149482
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCN(C)C)sc2CCCc2c1C#N	MCULE-8770948421,EMOLS-id_331791033	474.639	AWEJXKNHLNEGSV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149483
s1c2c(CCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NCCc1sccc1)C)C(=O)N	PC-id_56182233	474.639	KHFQREBHJBHWMG-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-149484
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC=C)C(=O)OCC	PC-id_17303319	474.639	MBHQUDFNQBBCAG-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-149485
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC=C)C(=O)OC	PC-id_20128582	474.639	VLLVVNWSXDRAPS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149486
S(=O)(=O)(N1CCCCC1)c1ccc(C(=O)N2CCN(CC2)Cc2sc3CCCc3n2)cc1	PC-id_44060412	474.639	JTHLWTHZCRDWGV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149487
s1c2CCCc2c(c1NC(=O)CSc1sc(SCc2ccc(OC)cc2)nn1)C#N	PC-id_24521369	474.643	BWWWTMDYCHISDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149488
S1C(N(c2c1scc2)C)CC=CN1CCN(CC1)C=CC=C1Sc2sccc2N1C	PC-id_59893158	474.729	RMHQSTHGHDXFKI-UHFFFAOYSA-N	00000010100010000001000110000000000000000000000000000000	25-01-149489
Cc1ccc(/C=C/c2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)cc1	EMOLS-id_324922882	474.758	QGBSFOHRXAPARU-NFYXESSLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149490
n12nc(nc1sc(=Cc1cc(Br)ccc1OC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-8225092131	474.758	BXCLNGQOGQKVQX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149491
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)C=Cc1ccc(cc1)C	MCULE-5122554182	474.758	QGBSFOHRXAPARU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149492
BrC(P(=C)(C)C)Cc1cc(/N=c/2snc3n2CC(C3)(C)C)c(cc1Cl)C	PC-id_59933067	474.826	RHWVTTWVDXWXMN-PYCFMQQDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149493
Fc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC3)c3c[nH]nn3)n3CCCc23)cc1F	PC-id_139507384,SCHEMBL21378242,BindingDB-id_980756	474.848	MDRHXENBJQVDER-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149494
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C#N)C)Cl	PC-id_134599079,SCHEMBL20252980	474.888	YIOLWTMKQXBQBF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-149495
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1c(C)onc1c1ccccc1Cl)C(=O)OC	BAS-01292122,STOCK2S-61994,SPECS-id_AF-399/13427008,EMOLS-id_654412,MCULE-2767413733,PC-id_2789267	474.914	DNNHQNXRPUNTJK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149496
COC(=O)c1c(NC(=O)c2c(c3ccccc3Cl)noc2C)sc2c1[C@H](C(=O)OC)CC2	ZINC22_643695,PC-id_991104,CoCoCo_187528	474.914	DNNHQNXRPUNTJK-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149497
COC(=O)c1c(NC(=O)c2c(c3ccccc3Cl)noc2C)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_643696,CoCoCo_187527,PC-id_991105	474.914	DNNHQNXRPUNTJK-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149498
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1c(c(ccc1)Cl)F	PC-id_134302953,SCHEMBL19920671	474.916	LXETZQNHIIREER-GDNBJRDFSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149499
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134303052,SCHEMBL19920773	474.916	LOISRUFANBFOIM-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149500
Fc1cc(cc(c1)Cl)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)C1CNNN1	PC-id_146047457	474.916	MPMMXZPJBXDICZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149501
NN/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1cc(F)cc(c1)Cl)N	PC-id_142295117	474.916	KRZHZPAXTSZSAK-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149502
O=C(C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1cccc(c1F)Cl)NC1(CC1)C1CNNN1	PC-id_146047460	474.916	RUQGXSRRYRANLR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149503
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1c[nH]c(=O)n(c1=O)Cc1ccccc1Cl	PC-id_121027317	474.917	NCVYLUZAFAFPOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149504
n12c(=O)c(=Cc3ccc(Cl)c(c3)N(=O)=O)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-9763683678	474.919	VBEZNBPKWFOZMO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149505
[O-][N+](=O)c1cc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)ccc1Cl	EMOLS-id_324822012	474.919	VBEZNBPKWFOZMO-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149506
c1(NC(=O)COc2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	ZINC22_23139602,PC-id_30862821,CoCoCo_5277800,EMOLS-id_24913597,MCULE-8064625583	474.936	YXUAGQAGCSJGFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149507
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)c(OC)cc1	PC-id_44053697	474.936	REBQNZBOCXZSPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149508
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)ccc(F)c1	PC-id_44053605	474.936	RDCXWESFCYMBHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149509
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)c(F)ccc1	PC-id_44053551	474.936	HCTYGBOURZMMKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149510
O=C(OCC(Cl)(Cl)Cl)N(C(=O)OCC(Cl)(Cl)Cl)c1onc2c1CCC2	CHEMBL180439,PC-id_44391597	474.936	QVMHQYCOVJJFQN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149511
CCOC(=O)c1c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408630610	474.954	VTCYPOTYFMEMMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149512
Clc1ccc(OC(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)(C)C)cc1	PC-id_44053227	474.96	KRUXOLHHKWFGPL-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-149513
Clc1ccc(cc1)CN1CCC(CC1)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479658,SCHEMBL5536671	474.984	MXJBEBRCUTXSTP-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149514
Clc1ccc(cc1)CN1CCC(CC1)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479660,SCHEMBL5536677	474.984	MXJBEBRCUTXSTP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149515
Clc1ccc(cc1)CN1CCN(CC1)C1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5544602,PC-id_69481804	474.984	QXCPVIDTIPMNGP-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149516
Clc1ccc(cc1)CN1CCN(CC1)C1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5544605,PC-id_69481805	474.984	QXCPVIDTIPMNGP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149517
Cc1cc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)ccc1Cl	MCULE-9292765119,EMOLS-id_335791560	474.987	FDZLXSDHQRIARI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149518
Clc1sc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_44005141	475.002	OFYIGOANSKYVCG-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149519
Clc1cc(C(=O)N2CCN(CCC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1	PC-id_56067239	475.003	XTNMNKSGCOSUHQ-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-149520
Clc1c(C(=O)N2CCN(CCC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_56068734	475.003	QVJJNDZEMGBBKG-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-149521
Clc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2C)C)cc1	PC-id_19677098	475.027	FGMSWJYBSZJTOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149522
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2C)C)cccc1	PC-id_19677914	475.027	TWNJXPGBLGVUCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149523
Clc1ccc(Sc2c(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cccc2)cc1	PC-id_19677504	475.046	ZAATYOUICXATCH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149524
C1CC2=C(C(=C(N2C1)C(=O)C(=O)CC3(CCOCC3)C#N)Cl)C(=O)NC4=CC(=C(C=C4)F)F	PC-id_165110182	475.111	ZUVWXQKATWWYQM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149525
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1cc(cc(c1)Cl)Cl	PC-id_163719145	475.118	KPZMDIBZKZQRBN-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149526
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CCc1occc1	PC-id_78141198	475.129	MCRDATZCGCEZBQ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-149527
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CCc1occc1	PC-id_71658170	475.129	MCRDATZCGCEZBQ-MRRJBJDNSA-N	00000010101000000000000010000000000000000000000000000000	25-01-149528
ClC1C(Nn2c1nnc2CCCS(=O)(=O)CCCCCCCCCCCC)C(C)(C)C	PC-id_54471819	475.131	XIWUHLVYWXYVQO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149529
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=CNN)[NH3+])C(=O)Nc1c(c(ccc1)Cl)F	PC-id_163759756	475.166	LXETZQNHIIREER-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-149530
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C(=C[NH3+])NN)C(=O)NC4=C(C(=CC=C4)Cl)F	PC-id_161981446	475.166	YPSAWSLQXCVOFK-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-149531
C1CN(CCC1OC2=CC=C(C=C2)OC(F)(F)F)C3=CC=C(C=C3)OCC4CN5C=CN=C5O4	PC-id_153915357	475.172	HWAMUMXVMDSIBM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149532
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC=C(C=C4)F	PC-id_147671797	475.172	GNJNRMSIIWXKLP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-149533
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C(=CNC)N)C(=O)NC4=CC(=C(C=C4F)F)F	PC-id_160506046	475.183	QSKMLYPUHPVVBW-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149534
c1(C(=O)OCC)c2CCCc2sc1NCc1cc(Br)cc(Br)c1O	STOCK2S-96032,SPECS-id_AE-848/12530132,CoCoCo_6876803,GD-id_ZINC01902218,EMOLS-id_3738290,ZINC22_1902218,MCULE-1749991027,PC-id_1636740	475.195	ZENXYAYYNBYKFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149535
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)NCCCC(=O)NCCC4=CC(=C(C=C4)O)O	PC-id_153587543	475.211	QWWDREACIZVBOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149536
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O	MCULE-6376898951	475.291	YHIWJCQFSPIBTL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149537
O=C(COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O)Nc1ccc(F)cc1	ZINC22_47154593	475.291	YHIWJCQFSPIBTL-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149538
COc1ccc(cc1C(c1ccc(cc1)OC)Oc1c(Br)nc2n1CC(O2)C)OC	PC-id_101246598	475.332	CMXCMCBNDHNNMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149539
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)CC	MCULE-5427126892	475.348	AYCDHWIQQFDCBY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149540
Brc1ccc(OCC(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc1	PC-id_1305507,EMOLS-id_2454017,CoCoCo_925449,ZINC22_1130338,MCULE-2526431098,TIMTEC535411	475.356	WVCWXZGYQHLFTK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-149541
Brc1oc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc1	PC-id_44053782	475.359	DBBDKXZMVZRYMF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-149542
Cn1nc2c(c1NC(=O)c1cccc(NS(=O)(=O)c3ccc(Br)cc3)c1)CCC2	ZINC22_48354618,MCULE-5590214306,PC-id_47076391,EMOLS-id_32097524	475.359	CGBYVNZKQNUOIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149543
Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCC2	GD-id_ZINC01160430,PC-id_32080769	475.379	RSTYWGSDXDDDMU-UHFFFAOYSA-O	00000010101000110000000010000000000000000000000000000000	25-01-149544
n1(N)c(SCC(=O)Nc2sc3c(CCC3)c2C#N)nnc1c1cccc(Br)c1	PC-id_4772984,SPECS-id_AN-153/I187709,TIMTEC413501,EMOLS-id_7697293,MCULE-6584836764,ZINC22_2782525	475.385	QUYVLAMSVHFOIK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149545
n1(N)c(SCC(=O)Nc2sc3c(CCC3)c2C#N)nnc1c1ccc(cc1)Br	TIMTEC318456,SPECS-id_AN-153/I187718,PC-id_4771375,ZINC22_2780999,MCULE-2174717153,EMOLS-id_7697305	475.385	MSXNLSFWWHAFQK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149546
CCN(CC)c1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324845812	475.391	RTYUVMPXLOLBMK-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149547
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)ccc(Cl)c1	PC-id_44053836	475.391	GUBKMVMOBICMKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149548
CN(C)c1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324918272	475.391	AHMSSNDSJIVZCI-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149550
n12nc(nc1sc(=Cc1ccc(N(C)C)cc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2767018769	475.391	AHMSSNDSJIVZCI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149551
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8703451881	475.391	RTYUVMPXLOLBMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149552
Clc1c(S(=O)(=O)N2CCN(CC2)CC(=O)Nc2sc3CCCc3n2)cccc1Cl	PC-id_60499089	475.412	DBYIWEKQXCSIJJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149553
CCCCCCC(CN1C(=O)c2c(C1=O)c(sc2)I)CCCCCC	SCHEMBL18504928	475.427	DALPGNCSKOYBIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149554
s1c2c(CCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C(=O)OC	PC-id_19678272	475.462	FJHZZMNJXQFBCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149555
c1(C(=O)N2CCN(CC2)C(=O)C2CC(=O)N(c3cccc(c3)C(F)(F)F)C2)c2CCCc2[nH]n1	EMOLS-id_323258554,MCULE-5974606265	475.464	UJGXEWVYIAXSDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149556
N/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)C(F)F)F)N	PC-id_142295196	475.464	BCFHPXPWGBLGFN-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149557
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(c2c(F)cccc2F)cn1)C(=O)N	PC-id_36208104	475.465	RSGLFXBQYDYVOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149558
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(c2c(F)cc(F)cc2)cn1)C(=O)N	PC-id_42494181	475.465	HYRPEEPLOOQPES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149559
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1ccccc1NC=O)C	PC-id_88940009,SCHEMBL12640398	475.468	UILSDAMEOTYESR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149560
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1C(=O)N	PC-id_68985284,SCHEMBL4281949	475.468	NBMYGDNKXDPWJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149561
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC1CC1(F)F)S(=O)(=O)C	PC-id_118479366,SCHEMBL17214214	475.483	FUJFPEVLSBNTDJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149562
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cnn2CC1CC1(F)F)S(=O)(=O)C	SCHEMBL17214223,PC-id_118479375	475.483	GPNKDLQEUOANCD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149563
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(s1)c1noc(c1)C(F)(F)F	SCHEMBL14055123,PC-id_89236647	475.485	MBUBXQXQWIMLKY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-149564
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-7764003452	475.492	JLPOGZHUUUQYGZ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149565
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)c1cc(F)c(F)cc1)C(=O)NCCCOCC	PC-id_52077889	475.508	PMTISKKJFLEIOT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149566
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1cc(OC)c(c(OC)c1)OC)C(=O)OC	MCULE-4788316587,PC-id_73551574	475.511	SFDPWEKXRZBGJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149567
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_35687008	475.511	ODFQNFPLENXCFA-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149568
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_74643206	475.511	ODFQNFPLENXCFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149569
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(OC)cc(OC)c(OC)c1)C(=O)OC	PC-id_24379469	475.511	GMPBJWUCIJITQF-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149570
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(OC)cc(OC)c(OC)c1)C(=O)OC	PC-id_74266822	475.511	GMPBJWUCIJITQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149571
s1c2c(CCC2)c(c1NC(=O)COC(=O)COc1c(OC)cc(cc1)C(=O)C)C(=O)OCC	PC-id_24385096	475.511	CCIIXURVLAAIAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149572
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_19173983	475.511	SFDPWEKXRZBGJT-RMKNXTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149573
CN(c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	SCHEMBL4283588,PC-id_68985997	475.512	QBTGVTRAKAVUGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149574
c1(NC(=O)c2cc(OC)c(cc2N(=O)=O)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5470035150,EMOLS-id_334335663	475.515	OQTUTQJBKQJPKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149575
C[C@@](CCN1Cc2cc(C#Cc3ccc([C@H](O)CO)cc3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4533310,SCHEMBL18729916	475.515	IGDUVBBZILMBCM-DENIHFKCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149576
CC(=O)OC[C@H]1C[C@@H]1C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20475004,PC-id_135306928	475.515	YVQGRJNBXRUNJV-WQFBUZOZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-149577
OC[C@@H](c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C)O	PC-id_118368776,SCHEMBL18729980	475.515	IGDUVBBZILMBCM-SIKLNZKXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149578
OC[C@H](c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C)O	SCHEMBL18729917	475.515	IGDUVBBZILMBCM-LCQOSCCDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149579
OC[C@@H](c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C)O	SCHEMBL18729981	475.515	IGDUVBBZILMBCM-YDNXMHBPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149580
OCCOc1ccc(cc1)C#CC1=Cn2c(C1)cn(c2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	PC-id_118368871	475.515	GMJNQMOBFWBMKU-JOCHJYFZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-149581
OCCOc1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729937	475.515	RDIRBOSPSSTONL-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149582
OCCOc1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729938	475.515	RDIRBOSPSSTONL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149583
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_4580881	475.515	GLCOEQSYVPDUNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149584
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_9677624	475.515	GLCOEQSYVPDUNG-FOKLQQMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149585
c1(NC(=O)c2c(=O)ccn(c3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)OCc1ccco1	PC-id_16447259,EMOLS-id_9847556,ZINC22_12062536,MCULE-4751466671,TIMTEC541032,CoCoCo_6264143	475.516	XBIOSIBGCOUWOX-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149586
s1c2CCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)C#N	PC-id_16530162	475.516	AFSOPXRPHDONGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149587
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_321803391,MCULE-4373606691	475.52	DTTXQXZEFPTQMX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149588
c1(NC(=O)COc2cccnc2NC(=O)CNC(=O)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321803133,MCULE-9484719638	475.52	GELZQVZBCIXTGA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149589
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)C(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_321901819,MCULE-7205430112	475.52	PJBCISFBJHJURK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149590
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(C(=O)C)c2)sc2c(CCC2)c1C#N	MCULE-4575252343,EMOLS-id_321902077	475.52	UCKCGCDAHPFYPR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149591
s1c2c(CCC2)c(c1Nc1nc(N2CCC(CC2)C(=O)OCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127528	475.521	HCBPHKOCXYPQAV-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-149592
s1c2c(CCC2)c(c1Nc1nc(N2CC(CCC2)C(=O)OCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_75787948	475.521	QSWUPDCLLGHGKI-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-149593
s1c2c(CCC2)c(c1Nc1nc(N2C[C@@H](CCC2)C(=O)OCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127520	475.521	QSWUPDCLLGHGKI-SNVBAGLBSA-N	00000010100010100001100010000000000000000000000000000000	25-01-149594
s1c2c(CCC2)c(c1Nc1nc(N2C[C@H](CCC2)C(=O)OCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127521	475.521	QSWUPDCLLGHGKI-JTQLQIEISA-N	00000010100010100001100010000000000000000000000000000000	25-01-149595
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)cc(OC)c1)C(=O)OC	PC-id_3430778	475.538	LPRAGFHTPCOQRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149596
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)c(OC)cc1)C(=O)OC	PC-id_3404468	475.538	QYRXCSQMHVYAMX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149597
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)cccc1OC)C(=O)OC	PC-id_3442886	475.538	VSXGRDAIDFIADF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149598
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)ccc(OC)c1)C(=O)OC	PC-id_5141012	475.538	ZHIWBGCYGVEICQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149599
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(c(cc1)C)C)C(=O)OC	PC-id_5086879	475.538	PLXPEQMHLQEVHG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149600
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(cccc1)C)C(=O)OCC	PC-id_3422388	475.538	MNYUOLNUCJCMFY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149601
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(ccc1)C)C(=O)OCC	PC-id_3638274	475.538	RZLMNPCNQNBQEF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149602
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(cc1)C)C(=O)OCC	PC-id_4177712	475.538	OZCFCQCAXYMHGA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149603
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)Cc1ccccc1)C(=O)OCC	PC-id_5098846	475.538	IBNPYMDOMJMRTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149604
S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16521608	475.538	KXEQRSLUGRBFBT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149605
S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16527567	475.538	HNVXOSSMAVSCTG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149606
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1cccs1	MCULE-5181062199	475.539	WKTLLZJDYBDJMH-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-149607
c1(c2CCCc2[nH]n1)C(=O)N1CC(OCc2cccnc2)CN(Cc2ccc(cc2)OC)C(=O)C1	EMOLS-id_20626885,MCULE-1767860577,PC-id_45163151	475.54	GJDQOJOGYXSIRF-UHFFFAOYSA-N	00000010100000111101000010000000000000000000000000000000	25-01-149608
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)NC(=O)c1cc(c(cc1)OC)OC)C	SCHEMBL15252513,PC-id_89800840	475.54	HLMUEOACTUGMKT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149609
COc1ccc(c(c1)c1cc(n(n1)C)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1)OC	PC-id_92109464	475.54	LXMIKVOXZKXJAF-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149610
COc1cc(ccc1OC)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL12879429,PC-id_58015580	475.54	HLMUEOACTUGMKT-PKOBYXMFSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149611
COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(C(=O)c3n[nH]c4c3CCC4)CC2=O)cc1	PC-id_26224150,ZINC22_14744644	475.54	GJDQOJOGYXSIRF-OAQYLSRUSA-N	00000010100000111101000010000000000000000000000000000000	25-01-149612
COc1ccc(CN2C[C@H](OCc3cccnc3)CN(C(=O)c3n[nH]c4c3CCC4)CC2=O)cc1	PC-id_26224151,ZINC22_14744645	475.54	GJDQOJOGYXSIRF-NRFANRHFSA-N	00000010100000111101000010000000000000000000000000000000	25-01-149613
NC(=O)COc1ccc(cc1)CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	SCHEMBL2917697,PC-id_68440402	475.54	UIODXWGUAQYVDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149614
NC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCC2	PC-id_17334575,ZINC22_57316570	475.541	RWMBYOVSJGORNI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149615
NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCC2	ZINC22_57316636,PC-id_17334701	475.541	BWKKELDTODIALQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149616
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)C(C)C	PC-id_143828639	475.541	XJTUFDNCUXAOFZ-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149617
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)C(C)C	PC-id_143828722	475.541	WCMVQMVDTPETDT-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149618
ONC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)C(C)C	PC-id_143828707	475.541	XJTUFDNCUXAOFZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149619
ONC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)C(C)C	PC-id_143828663	475.541	WCMVQMVDTPETDT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149620
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-8222269935,PC-id_4308756,EMOLS-id_321772861	475.541	APUZUZFRKPWADN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149621
COc1ccccc1NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1	PC-id_68440113,SCHEMBL2916936	475.543	KPGHVSQZRDMHNV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149622
Brc1c2SC(C(CCCCCCCCCCCCC)(CC)c2sc1)C(=O)O	SCHEMBL1030732,PC-id_66882907	475.546	IFIQPDBAIXVZGY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149623
c1(NC(=O)COc2cccc(c2)NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C#N	MCULE-7208862655,EMOLS-id_323202654	475.559	LUFSGGKMPWFNCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149642
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2C[C@@H]2c2ccccc2)nc(n1)N1CC1C	SCHEMBL12143746,PC-id_59474170	475.546	QGNGCNDQWTYKEP-FXEAPKRUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149624
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@H]2C[C@@H]2c2ccccc2)nc(n1)N1CC1C	PC-id_11662914,SCHEMBL15247486	475.546	QGNGCNDQWTYKEP-CZBYQDAPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149625
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)nc(n1)N1CC1C	SCHEMBL3506448	475.546	QGNGCNDQWTYKEP-JEFCVECVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149626
COc1nc(Nc2n[nH]c3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CC1C	BindingDB_PC-id_87234937,PC-id_87234937,SCHEMBL1367710,BindingDB-id_218908	475.546	QGNGCNDQWTYKEP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-149627
s1c2c(nc1NC(=O)C1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)C(CC2)C(=O)OCC	PC-id_75741083	475.556	LKFXOEDPXGOEDN-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149628
s1c2c(nc1NC(=O)C1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)[C@@H](CC2)C(=O)OCC	PC-id_51895281	475.556	LKFXOEDPXGOEDN-QGZVFWFLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149629
s1c2c(nc1NC(=O)C1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)[C@H](CC2)C(=O)OCC	PC-id_51895283	475.556	LKFXOEDPXGOEDN-KRWDZBQOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149630
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccsc1)C(CC2C(=O)O)C(=O)c1cccs1	SCHEMBL10936497,PC-id_70476843	475.558	LXFAJBWLPJLHPV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149631
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccsc1)CCC2(C(=O)O)C(=O)c1ccsc1	PC-id_70476846,SCHEMBL10936505	475.558	ZYTXDDYPPAXJGQ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149632
C=CCS(=O)(=O)c1cn2c(c1)C(CC2)(C(=O)O)C(=O)c1csc(c1)C(=O)c1ccsc1	SCHEMBL10936508,PC-id_70476847	475.558	DXYFFKOCASDBNB-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149633
C=CCS(=O)(=O)c1sccc1C(=O)c1cc2n(c1C(=O)c1ccsc1)CCC2C(=O)O	SCHEMBL10936494,PC-id_70476840	475.558	WQZPEBIURGFSBV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149634
O=C(C1N=C(SC1N)c1c(F)cccc1F)Nc1cnn2c1N(CCC1CCNCC1)CC2	PC-id_68229996,SCHEMBL12282659	475.558	HRLRIJCMRNTPNE-UHFFFAOYSA-N	00000011100010110001100010000000000000000000000000000000	25-01-149635
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC1=C(CNC(=O)N1)C(=O)OCC	PC-id_55454011	475.558	GZVPGARAZXQNDN-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-149636
s1c2c(CCC2)c(c1NC(=O)CNc1cc(OC)c(NC(=O)OC(C)(C)C)cc1)C(=O)OC	PC-id_52703987	475.558	BNTDABHMOHNNIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149637
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCC2)c1C#N	EMOLS-id_323208336,MCULE-4388594483	475.559	MVIRJXMGCRHHJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149638
c1(NC(=O)COc2cccc(c2)NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_323201347,MCULE-3344145143	475.559	BYJDUAHMOYIADE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149639
c1(NC(=O)COc2cccc(c2)NC(=O)COc2ccc(cc2)CC)sc2c(CCC2)c1C#N	EMOLS-id_323160674,MCULE-3673287253	475.559	CXZRMUHVWXUXGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149640
c1(NC(=O)COc2cccc(c2)NC(=O)COc2cc(ccc2C)C)sc2c(CCC2)c1C#N	EMOLS-id_323214424,MCULE-8376382014	475.559	LYCCSTMMENREAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149641
c1(NC(=O)COc2cccc(c2)NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C#N	MCULE-9245162369,EMOLS-id_323191125	475.559	RNFNIKYZEIJSLP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149643
c1(NC(=O)COc2cccc(c2)NC(=O)COc2cccc(CC)c2)sc2c(CCC2)c1C#N	MCULE-3906610242,EMOLS-id_323164519	475.559	UKPGUUJIDPDFNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149644
s1c2c(CCC2)c(c1NC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)NCc1occc1	PC-id_52088120	475.559	UBSWFHKORZUMLZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149645
s1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(c2CCSc12)C(=O)OC	PC-id_44604287	475.562	MWOLSDOXBHWEPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149646
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(c(C)c2)N(C)C)sc2c(CCC2)c1C#N	MCULE-4709767270,EMOLS-id_321808241	475.563	QGOJFDZPMAXHNC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149647
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321903868,MCULE-1595744778	475.563	MHXSWZAONRZKDK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149648
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C(C)C)sc2c(CCC2)c1C#N	MCULE-8982622299,EMOLS-id_321903357	475.563	MIVIUUPRCKLMDE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149649
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(C)cc(cc2C)C)sc2c(CCC2)c1C#N	EMOLS-id_321901052,MCULE-7961669623	475.563	SGJIEOANUKNKQT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149650
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(CC)cccc2C)sc2c(CCC2)c1C#N	MCULE-4614504719,EMOLS-id_321902333	475.563	GODFIGZNIXBISO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149651
c1(NC(=O)COc2cccnc2NC(=O)N(CC)c2cccc(C)c2)sc2c(CCC2)c1C#N	EMOLS-id_321856442,MCULE-8858028589	475.563	CXNMKGSBGVVYHE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149652
c1(NC(=O)COc2cccnc2NC(=O)N(CC)Cc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321855673,MCULE-3407245533	475.563	GGXJHAHNDSCRDI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149653
COCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(NCC)ncc1F	SCHEMBL19200799	475.563	HCBMJNHEONCDJQ-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149654
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccccc3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053449	475.563	SQLMNKVGZLWNFB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149655
c1(NC(=O)CN2CCN(CC2)c2nnc(c(=O)[nH]2)Cc2ccccc2)sc2c(CCC2)c1C#N	MCULE-1242570711,EMOLS-id_322525538	475.566	DTWCNZUPBQJKMN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149656
CCOC(=O)c1c(NC(=O)COC(=O)CCC(=O)c2ccc(SC)cc2)sc2c1CCC2	ZINC22_21367425,PC-id_24376918,EMOLS-id_43781384,CoCoCo_3104876,MCULE-1240913747	475.578	DTCAWAOGWOPOKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149657
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCC(CC2)CO)sc2CCCc2c1C#N	EMOLS-id_333770835,MCULE-4930300405	475.581	HWCQGWSDDPBHQM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149658
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)sc2CCCc2c1C#N	MCULE-7510913179,EMOLS-id_333772114	475.581	UNKAEZUJMFUZOX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149659
c1(NC(=O)CS(=O)CC(=O)NCCc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	EMOLS-id_320627711,MCULE-1169653046	475.581	YSEQOGDIXRVXKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149660
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C(=O)c1c(OC(=O)c2c(O)cccc2)cccc1	PC-id_72196200	495.48	HHWKDEVKVCHWIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154338
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)OCc1ccccc1	SCHEMBL14055918,PC-id_89237324	475.581	OSLRYXGUKZFHOF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149661
C=CC(=O)NC1CC(N(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2)CO	SCHEMBL14054789,PC-id_89236400	475.581	LCAKAFMABQRNPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149662
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)N(C(=O)C1CCOCC1)C	PC-id_89236292,SCHEMBL14054635	475.581	RBLNDMPRUIHOHO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149663
NC(=O)C(S(=O)(=O)C)CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)[C@@H]1COCC1	SCHEMBL18587999	475.581	CQFMUQBCPXSRKD-KKFHFHRHSA-N	00001010100000000000100010000000000000000000000000000000	25-01-149664
O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cccc(S(=O)(=O)/N=C/2CCCCCN2)c1	CoCoCo_2840743,ZINC22_9119562,PC-id_4842398,EMOLS-id_26032398,CoCoCo_2840744	475.581	BGASHBRBTIWFTN-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-149665
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1sccc1C(=O)N	PC-id_45663330	475.581	DLNATQCWFWXVBT-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-149666
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NNC(=O)c1sccc1	PC-id_41732935	475.581	UGDOJKBBRFVAJC-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-149667
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1ccc(cc1)C(=O)C	PC-id_24414306	475.581	DSVBKVHYOYAEJI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149668
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(N2CCCCC2)C(=[N+](C1=O)CCC)N)C(=O)N	PC-id_73253315	475.584	UYNDNHPFCZJJQM-UHFFFAOYSA-O	00000010100011000001100010000000000000000000000000000000	25-01-149669
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(nn2C)NC(=O)c1cc(ccc1)N)C	SCHEMBL20754495,PC-id_137509653	475.586	FAUGLWVETWUOAN-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149670
Cc1cccc(c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2Cc2ccco2)c1	PC-id_16343585,ZINC22_9619832,MCULE-5519597127,EMOLS-id_43995367,CoCoCo_4306517	475.586	MGUSHZKBZXETAY-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149671
Cc1occc1c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1Cc1ccccc1	CoCoCo_3640654,ZINC22_9491765,PC-id_4868811,MCULE-7556584152,EMOLS-id_3344508	475.586	OOWUNNJEBWRSAO-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149672
CNc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145111620	475.586	NMFQGALJHDIWKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149673
O=C(N1CC(C1)OC(C)(C)C)NCc1ccc(cc1C)c1ccnc(n1)Nc1cnn2c1CCC2	PC-id_118139390,SCHEMBL16794031	475.586	VAJKFQHGOSTWFB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-149674
CC(C)[C@@H]1N(Cc2nnn(C)n2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB-id_722788,BindingDB_PC-id_145713353,PC-id_145713353	475.588	PTHZBIDEPWTBNV-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-149675
C(=Cc1ccc(cc1)OC(C)C)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4868925632	475.599	SHUBAAOERUVRBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149676
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OC(C)C)cc2)/c2ccccc2)sc2CCCc12	EMOLS-id_327865183	475.599	SHUBAAOERUVRBG-HAVVHWLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149677
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C(=O)N1CCN(CC1)C(=O)C)C	PC-id_74606052	475.601	YTMNBJNOOBWPNO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149678
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C(=O)N1CCN(CC1)C(=O)C)C	PC-id_30158405	475.601	YTMNBJNOOBWPNO-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149679
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C(=O)N1CCN(CC1)C(=O)C)C	PC-id_30158408	475.601	YTMNBJNOOBWPNO-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149680
c1(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-7377152616,EMOLS-id_334334673	475.602	CRFCODJPMSPZDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149681
c1(NC(=O)CCc2cccc(c2)NC(=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9790764098,EMOLS-id_334331564	475.602	YWBNZYAVCIJSHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149682
CCCCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_45964951,ZINC22_97946717	475.602	KFPJUIOBFLZJIB-LYUOLOSTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149683
CCCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC	EMOLS-id_45965109,ZINC22_16736408,GD-id_ZINC16736408	475.602	GVQIZFJWBARYQQ-FSGHBROGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149684
COc1cc(/C=c/2sc3nc(CCC4CCCCC4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324904968	475.602	FEVYLRZWYGBIBC-ULJHMMPZSA-N	00000000100010110001000010000000000000000000000000000000	25-01-149685
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCC)c2=O)C=Cc1ccc(cc1)C	MCULE-5037414357	475.602	GVQIZFJWBARYQQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149686
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCCC)c2=O)C=Cc1ccccc1	MCULE-8197843800	475.602	KFPJUIOBFLZJIB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149687
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)CCC1CCCCC1	MCULE-5385127728	475.602	FEVYLRZWYGBIBC-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-149688
s1c2CCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCN(CC2)Cc2ccccc2)cc1	PC-id_16610736	475.602	AGUXNDCXDZEHCC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149689
s1c2c(nc1NC(=O)c1ccc(OC)cc1)C(C(=O)N1CCC(CC1)Cc1ccccc1)CC2	PC-id_16947821	475.602	ALHIIVRHZIBLGU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149690
CC(C)CN(C(=O)CN(C)C(=O)c1cc2c(s1)CCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	EMOLS-id_2878924,ZINC22_9125174,CoCoCo_3225709,PC-id_16230936,MCULE-8491954434	475.604	NENZXMPITVQVSB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-149691
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(CSC2=NCCS2)cccc1)C(=O)N	PC-id_41122485	475.604	GQRIBLGRBIPFEW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-149692
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)/C=C/c1ccccc1	PC-id_40880558	475.604	SPVZBWOSSFTBJC-NTEUORMPSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149693
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)C=Cc1ccccc1	PC-id_74728569	475.604	SPVZBWOSSFTBJC-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149694
CCOc1ccccc1Nc1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)s1	MCULE-5052420879,CoCoCo_3065861,PC-id_2494779,ZINC22_3376784,EMOLS-id_3293036	475.607	WQSHYDPASUYAIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149695
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(F)ccc(c1F)C	PC-id_140882959	475.607	KQNDEQJUEHBULI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149696
OC[C@H](C1CCCCC1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140301083	475.7	HTIFKQRUWYUKLQ-GOSISDBHSA-N	00001010100010000001000010000000000000000000000000000000	25-01-149733
C/C(=N/c1ccsc1C(=C)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1)/N	PC-id_68317300,SCHEMBL12559874	475.609	VCMGFOPMXHXNCJ-XLIONFOSSA-N	00100010100100110001100010000000000000000000000000000000	25-01-149697
Cc1c(c(c(cc1)C)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195487,SCHEMBL20348619	475.622	SRSZJVKGFKYVGW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149698
CCc1c(c(ccc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195478,SCHEMBL20348610	475.622	UEDLDFLYPVEKBJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-149699
O(C1Cn2c(C1)cn(c2=N)CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccccc1	SCHEMBL14346312,PC-id_59016224	475.622	CDDYBPLEPUVTSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149700
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCCC)CCC)sc2CCCc2c1C#N	MCULE-7761202488,EMOLS-id_333772883	475.624	OCCKMVFZMYJRQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149701
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331790518,MCULE-2496186853	475.624	CEJBTKHUANDDSW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149702
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCCCO)sc2CCCc2c1C#N	MCULE-3449306642,EMOLS-id_331789498	475.624	DQGZYYBZAQXXID-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149703
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCO)sc2CCCc2c1C#N	MCULE-6241787631,EMOLS-id_331791288	475.624	NASWOQIHZDVRRO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149704
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331789744,MCULE-8846069479	475.624	ZWAPQCMSGPXPER-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149705
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCOC)sc2CCCc2c1C#N	MCULE-2897875030,EMOLS-id_331786430	475.624	LKFFUSJYKRUCCR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149706
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCOCC)sc2CCCc2c1C#N	MCULE-9673615247,EMOLS-id_331787967	475.624	NXHYLDBPEWLCNH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149707
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331791031,MCULE-8337727820	475.624	FAVZMWKVFFPZLM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149708
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCC(C)C)sc2CCCc2c1C#N	MCULE-9797084626,EMOLS-id_331790002	475.624	UHEDHLQLUSBMRJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149709
Cc1c2CN(C(=O)n2c(n1)C)CCC1CCN(CC1)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C	PC-id_90740959	475.624	JTTVZJGQQLILOY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149710
CCC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)NC	EMOLS-id_22708566,PC-id_16031139,MCULE-8071643277,CHEMBL1552380	475.624	DYRUVBIXJCLTHW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149711
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCC3)cc1	CoCoCo_5058659,PC-id_40774839,ZINC22_8600200	475.624	DYRUVBIXJCLTHW-INIZCTEOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149712
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCC3)cc1	ZINC22_8600198,CoCoCo_5058658,PC-id_40774838	475.624	DYRUVBIXJCLTHW-MRXNPFEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149713
ClCCCS(=O)(=O)n1nc2c(c1I)CN(C2)C(=O)OC(C)(C)C	PC-id_122493987,SCHEMBL18022699	475.73	CMTKUKVELNVQHT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149734
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C2CCCCC2)sc2CCCc12	EMOLS-id_22708562,PC-id_27422078,ZINC22_16916855,CoCoCo_5058655,MCULE-7180130206	475.624	WILCYJGWCARVOP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149714
n1(Cc2ccccc2)c2CCCc2cc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1	EMOLS-id_328338073,MCULE-3346363144	475.624	UWHYWGBYADHKCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149715
O=C([C@@H](C(C)(C)C)N(C(C)(C)C)C(=O)O)N1CCC(CC1)CCN1Cc2n(C1=O)c(nc2C)C	PC-id_68646552,SCHEMBL3447791	475.624	KHVHTLTYNUVRSL-FQEVSTJZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149716
O=C(N1CCC(CC1)CCN1Cc2n(C1=O)c(nc2C)C)C(N(C(C)(C)C)C(=O)O)C(C)(C)C	PC-id_77532786	475.624	KHVHTLTYNUVRSL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149717
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1nc(sc1)N(CC)C(=O)C	PC-id_31436311	475.624	AGFYVQGGZQBIBH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149718
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(C(=O)OCCN(CC)CC)cc1)C(=O)OC	PC-id_20167648	475.624	FPTDWKWNBAIKJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149719
S(=O)(=O)(N1CC(CC(C1)C)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC	PC-id_16833751	475.624	FMLPNFNSWJMRRU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149720
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1ccc(cc1)C(C)C	PC-id_27684262	475.624	CYRZSZPMZAPYTH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149721
S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)CCC(=O)NNC(=O)c1sc2CCCc2c1	PC-id_27684358	475.624	VKQAUSPSIVTGMP-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-149722
s1c2c(nc1NC(=O)c1ccc(cc1)C)C(C(=O)NC1CC[NH+](CC1)Cc1ccccc1)CC2	PC-id_74740720	475.626	CUTXVWNJLZGDBB-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149723
s1c2c(nc1NC(=O)c1ccc(cc1)C)[C@@H](C(=O)NC1CC[NH+](CC1)Cc1ccccc1)CC2	PC-id_40946222	475.626	CUTXVWNJLZGDBB-QFIPXVFZSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149724
s1c2c(nc1NC(=O)c1ccc(cc1)C)[C@H](C(=O)NC1CC[NH+](CC1)Cc1ccccc1)CC2	PC-id_40946224	475.626	CUTXVWNJLZGDBB-JOCHJYFZSA-O	00000010100010110001000010000000000000000000000000000000	25-01-149725
c1(NC(=O)CSc2scc(c3ccc(cc3)S(=O)(=O)C)n2)sc2c(CCC2)c1C#N	MCULE-6406347277,EMOLS-id_324884588	475.627	DXNGGHHDAWLWBE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149726
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)(C)C	SCHEMBL19542315	475.647	RXOKMBKTMMYXHD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-149727
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(S(CC)(C)C)(C)C	SCHEMBL19537461	475.647	WCIQZHBPFJOZPL-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149728
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC(=O)N2CC(CC(C2)C)C)CC1)C)C(=O)N	PC-id_24507500	475.647	DXBZXUSTQIZXHH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149729
CCCn1c(nnc1Cc1cccs1)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_138577822,SCHEMBL20936174	475.65	SSYMNELXJGTHHG-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-149730
O(CCCCCCCCCCCCCC)C(=O)CCC(=O)NCC(c1nc2n(n1)N=C(C2)C)C	PC-id_59912347	475.667	URADAMXPDGJXQM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-149731
OCC(C1CCCCC1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817100	475.7	HTIFKQRUWYUKLQ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-149732
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)cc1	EMOLS-id_324912641	475.777	QIZQZWISQPEHBG-LCYFTJDESA-N	00000000100000110001000010000000000000000000000000000000	25-01-149735
n12c(=O)c(=Cc3ccc(cc3)OCC(=O)N(CC)CC)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-4717208428	475.777	QIZQZWISQPEHBG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149736
c1(c2CCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1)Br	PC-id_2166822,CoCoCo_81810,EMOLS-id_1231085,ZINC22_2755833,GD-id_ZINC02755833,BAS-00486959,MCULE-5728765674	475.786	KXWLIPQTPLHZBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149737
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2C)sc2c(CCC2)c1C(=O)OCC	TIMTEC46313,PC-id_3101962,BAS-00354909,MCULE-1165591362,EMOLS-id_639216	475.816	AKSGTGZMWGLIPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149738
CCOC(=O)c1c(N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_40431051,ZINC22_2678277,CoCoCo_49049	475.816	AKSGTGZMWGLIPZ-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149739
CCOC(=O)c1c(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_2678276,PC-id_40431050,CoCoCo_49048	475.816	AKSGTGZMWGLIPZ-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149740
ClC(Cl)(Cl)[C@H](Nc1sc2c(CCC2)c1C(=O)OCC)NC(=O)Cc1ccccc1	PC-id_2326939	475.816	XVIVTPLDQUCMKT-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149741
ClC(Cl)(Cl)[C@@H](Nc1sc2c(CCC2)c1C(=O)OCC)NC(=O)Cc1ccccc1	PC-id_2326940	475.816	XVIVTPLDQUCMKT-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149742
ClC(Cl)(Cl)C(Nc1sc2c(CCC2)c1C(=O)OCC)NC(=O)Cc1ccccc1	PC-id_4115662	475.816	XVIVTPLDQUCMKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149743
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(F)c(Cl)c2)sc2CCCc2c1C#N	MCULE-2436515537,EMOLS-id_333651089	475.881	NHFZTMFQJJNLJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149744
C(=C/1C(C2=C(SC(=C2C1=O)C(F)(F)F)C(F)(F)F)C(C#N)C#N)I	PC-id_163979913	475.892	SXMCSMGUNLHVDH-ORCRQEGFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149745
CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	SCHEMBL2163850,PC-id_24772283	475.909	UGAATOBKJYDDQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149746
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)ccc1F	PC-id_16948060	475.92	AREIJZBVPCEVAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149747
Clc1c(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cccc1	PC-id_4223023	475.945	GCGRBBGGNYODAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149748
Clc1ccc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc1	PC-id_3934747	475.945	MWGNADMYDCPAQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149749
Clc1ccc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)CC)cc1	PC-id_45607690	475.945	UFSHOONUSAFKQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149750
Clc1ccc([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc1	PC-id_51436719	475.945	MWGNADMYDCPAQE-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149751
Clc1ccc([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc1	PC-id_51436720	475.945	MWGNADMYDCPAQE-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149752
Clc1ccc([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)CC)cc1	PC-id_51911878	475.945	UFSHOONUSAFKQY-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149753
Clc1ccc([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)CC)cc1	PC-id_51911879	475.945	UFSHOONUSAFKQY-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149754
Clc1ccccc1OCc1nc2s/c(=Cc3cccc(OCc4ccccc4)c3)/c(=O)n2n1	EMOLS-id_324882954	475.947	QUUPYFIFOAFWKF-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149755
Clc1ccc(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_324845310	475.947	FNJJDOGPBMUQJN-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149756
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-1835361264	475.947	CIVKMACQIGDXOQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149757
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-6133993134	475.947	ARJKMHNEVHMNKT-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149758
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-2294708241	475.947	JEHNFPKFKZEFAZ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149759
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1ccccc1Cl	MCULE-1752273585	475.947	QUUPYFIFOAFWKF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149760
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1ccc(Cl)cc1	MCULE-2784398627	475.947	FNJJDOGPBMUQJN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149761
Clc1c(c2noc(c2C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)C)cccc1	PC-id_44052962	475.948	CBVIWRQJXIJIPQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149762
COc1cccc(c1)CNC(=O)C1CCc2nnc(n12)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134796538	475.948	SDDWPEPYANLZIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149763
n12c(=O)c(=Cc3cc(cc(Br)c3O)Cl)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-3162348739	475.96	HFKRKSRNJJJOSB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149764
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(nn2c1=O)C(Cl)(Cl)Cl	EMOLS-id_324913158	475.96	HFKRKSRNJJJOSB-UQCOIBPSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149765
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1ccccc1)C)Cl	SCHEMBL20252935,PC-id_134599034	475.967	LJVXTUVMLZOSRK-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-149766
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	CoCoCo_2590308,MCULE-9414093601,PC-id_22582900,EMOLS-id_16349197	475.968	SWRGJGBJLBSYMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149767
c1(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	MCULE-7290939722,CoCoCo_2590306,PC-id_22582898,ChEMBL-DNDi_CHEMBLF2618-1086,EMOLS-id_16349193,ZINC22_15822846	475.968	IXHTZBCCPBPTSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149768
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	PC-id_22582899,EMOLS-id_16349195,MCULE-2144190544,CoCoCo_2590307,ZINC22_15822850	475.968	SBLJUHCYAARGAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149769
Clc1cc(c2scc(n2)CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_30256601	475.968	HNGLQSQZBQMMAD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149770
Clc1ccc(c2sc(c(n2)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_41616035	475.968	GSNZDFVZTXAIOX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149771
Clc1ccc(NS(=O)(=O)c2ccc(cc2)C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_24634818	475.968	APCDGAGBVWELNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149772
Clc1cc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3sc4CCCc4c3)ccc2)ccc1	PC-id_24414310	475.968	HFSHTPAULFYWEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149773
N#Cc1c(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2cccc(Cl)c2)sc2c1CCC2	CoCoCo_3162043,MCULE-4747746706,ZINC22_32957828,PC-id_40191393,EMOLS-id_24061822	475.968	BZKGQKDGDIJIBY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-149774
Clc1ccc(n2c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nc(=O)cc2N)cc1	PC-id_4056173	475.972	AQJCIVRFONQDOZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149775
Clc1cc(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_55544230	475.988	ZKVVDIDQNNFFNM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149776
Clc1c(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_24446296	475.988	DQSPZNCFYXRHHH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149777
CONC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	PC-id_135200298,SCHEMBL20353874	475.988	XNHGSJAGHQAEMX-JKSUJKDBSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149778
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CCCCC2)cc1	PC-id_77218668	475.992	PFONNRMUVVDZRA-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-149779
Clc1ccc(NC(=O)C(=O)N[C@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)CCCCC2)cc1	SCHEMBL1503731,PC-id_67056410	475.992	PFONNRMUVVDZRA-HZPDHXFCSA-N	00000010100000110101000010000000000000000000000000000000	25-01-149780
NC(=O)c1c(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)sc2c1CCC2	CoCoCo_3848864,EMOLS-id_43905627,CoCoCo_3848863,MCULE-6957784949,PC-id_17552551,ZINC22_23247957	475.992	NMYXOTYDVDHENY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149781
CC(C)C1c2c(CN1Cc1cc(c(cc1)C#N)Cl)sc(n2)NC(=O)Cc1ccc(cc1)C#N	PC-id_134170851,SCHEMBL19772021	475.993	NMQQNJFQAXLBAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149782
N#Cc1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(c(c1)Cl)C#N	SCHEMBL18367972	475.993	NMQQNJFQAXLBAR-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149783
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1sc2c(n1)CN(C2)Cc1ccc(cc1)Cl	PC-id_144742140	476.011	QLVBCNKVWVZHEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149784
COCCCNC(=O)C1CCN(CC1)C(=O)c1cc2c(n1Cc1ccc(cc1)Cl)CCS2	PC-id_143820900	476.031	JIRAUPAITQMLHB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149785
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278645	476.033	NJTGFDLAIODNPQ-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-149786
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_148639608	476.033	NJTGFDLAIODNPQ-SECBINFHSA-N	00000011100000110000000010000000000000000000000000000000	25-01-149787
CC1(CN2C(=C(C=N2)S(=NC(=O)NC3=C(C=CC(=C3)Cl)C4=CC(=NC=C4)OC)(=O)N)O1)C	PC-id_165369594	476.103	QRUZEYIPFAHJMH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-149788
C1CC2=C(C(=C(N2C1)C(=O)C(=O)NC3(CCOCC3)C#N)Cl)C(=O)NC4=CC(=C(C=C4)F)F	PC-id_147467613	476.106	FBDAHIGIMNYRRO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149789
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1)Cc1cc(cc(c1)F)C(F)(F)F	PC-id_164060121	476.147	WGDMBIZYRRLSLJ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149790
CCCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)c1	EMOLS-id_324913677	476.376	SPWFSOUJKSRQGS-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149810
CC1=C(C=CC(=C1)NC(=O)C2=C(C(=C3N2CCC3)C(=O)C(=O)NC4(CC(C4)(F)F)C(=O)N)C)F	PC-id_153211885	476.167	WLYNVGDXIVAMGS-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-149791
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C(=CNC)[NH3+])C(=O)NC4=CC(=C(C=C4F)F)F	PC-id_160506045	476.19	QSKMLYPUHPVVBW-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-149792
COc1cc(OC)c(c(c1Cl)c1ccc(c(c1)N)C(=NC(=O)c1cnn2c1OCC2)N)Cl	PC-id_145019769	476.313	VWEWUUZAPSJRMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149793
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324881417	476.319	CILUDXPYXWMZCG-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149794
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_324881413	476.319	QMGXTPYIRKUKCT-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149795
COc1ccc(Cc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1OC	EMOLS-id_324924431	476.319	GOMACFGTGHDPNN-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149796
COc1ccc(Cc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324924427	476.319	AYFNHAZJWDJNBW-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149797
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-1182245018	476.319	GOMACFGTGHDPNN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149798
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)COc1ccc(cc1)OCC	MCULE-8277248647	476.319	CILUDXPYXWMZCG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149799
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2870962128	476.319	AYFNHAZJWDJNBW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149800
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)COc1ccc(cc1)OCC	MCULE-9358615486	476.319	QMGXTPYIRKUKCT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149801
Brc1ccc(cc1)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	EMOLS-id_45970392,ZINC22_27022351	476.345	CYKVCKDXGAVFBH-NCQAQJBZSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149802
Brc1cccc(c1)c1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)o1	EMOLS-id_45970482,ZINC22_27022484	476.345	FZIIKVSVLSXYBF-BOIKWEOWSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149803
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccccc1	MCULE-1524835391	476.345	FZIIKVSVLSXYBF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149804
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccccc1	MCULE-4135691501	476.345	CYKVCKDXGAVFBH-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-149805
O=C(NCc1nnc2n1CCC2)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1	ZINC22_30030851,PC-id_37334419,MCULE-7376087548,EMOLS-id_42860790	476.347	FPNVYHOIODWCGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149806
Clc1c(c2oc(C=CC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cccc1Cl	PC-id_4579285	476.372	VSERAGVWTQVUAL-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-149807
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-4311871171,PC-id_18848628	476.376	DSQDVIVTYFTDMH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149808
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883971,MCULE-4631469107	476.376	LALGIDDINJGDKN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149809
CC(C)Oc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)c1	EMOLS-id_324914189	476.376	MOCMTLMHGMJHMA-GRSHGNNSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149811
CCOc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324918273	476.376	DUHAXDWKEIFBLB-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149812
CCOc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324916229	476.376	NCWLXAOGDXTQDQ-UNOMPAQXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149813
n12c(=O)c(=Cc3cccc(OCCC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-3468254914	476.376	SPWFSOUJKSRQGS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149814
n12c(=O)c(=Cc3cccc(OC(C)C)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-7142678743	476.376	MOCMTLMHGMJHMA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149815
n12nc(nc1sc(=Cc1ccc(cc1)OCC)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-1019680034	476.376	DUHAXDWKEIFBLB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149816
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccc(cc1Cl)Cl)c2=O)CCC	MCULE-3545680487	476.376	ZRVIDTFFJKVRQO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149817
n12nc(nc1sc(=Cc1cccc(OCC)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-5222311036	476.376	NCWLXAOGDXTQDQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149818
Brc1ccc(C(=O)N2CCC(CC2)C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_27684649	476.387	WAKHTDNUBQHYJI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149819
Fc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740171	476.424	BSLSPVVPDOWMNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149820
Fc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740232	476.424	YPXGRHYXOVDEQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149821
Fc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740169	476.424	BSLSPVVPDOWMNF-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149822
Fc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740231	476.424	YPXGRHYXOVDEQC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149823
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1F)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740172	476.424	PYFLJTVYIUPBKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149824
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1F)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740170	476.424	PYFLJTVYIUPBKI-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149825
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F	ZINC22_256055606,PC-id_117588535	476.428	MXCUTEFILQTCTL-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149826
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	PC-id_117588541,ZINC22_256055634	476.428	NZDGUTQASBVSMT-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149827
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccccc1C(F)(F)F)c2=O	MCULE-8578774984	476.428	MXCUTEFILQTCTL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149828
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1cccc(c1)C(F)(F)F)c2=O	MCULE-8944812943	476.428	NZDGUTQASBVSMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149829
Brc1ccc(NC(=O)c2c(NC(=O)CCN3CCCCC3)sc3CCCc23)cc1	CoCoCo_6724255,EMOLS-id_2785824,PC-id_3565272,MCULE-6573884802,ZINC22_8919205	476.43	YPCAQXOUDGNQPD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149830
Brc1ccc(NC(=O)c2c(NC(=O)CN3CCCCCC3)sc3CCCc23)cc1	CoCoCo_867012,MCULE-7331740624,EMOLS-id_2428405,PC-id_1328547,ZINC22_16193005	476.43	QXQIOLKZJNETOW-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-149831
c1(c2CCCc2sc1NC(=O)CN1CCCC(C)C1)C(=O)Nc1ccc(cc1)Br	SPECS-id_AE-848/42024441,MCULE-3799460390,EMOLS-id_2784802,TIMTEC296492,PC-id_3703307	476.43	LULSTRXNTYSSBO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149832
C[C@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)C1	PC-id_1050770,ZINC22_729082,CoCoCo_6728297,CoCoCo_6728299	476.43	LULSTRXNTYSSBO-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149833
C[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)C1	PC-id_1050771,CoCoCo_6728300,CoCoCo_6728298,ZINC22_729083	476.43	LULSTRXNTYSSBO-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149834
Brc1cccc(c1)c1csc(SCC(=O)Nc2sc3CCCc3c2C#N)n1	EMOLS-id_324879960,MCULE-4079239481	476.433	IDCFNNDRPSQQGS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149835
Brc1ccc(cc1)c1csc(SCC(=O)Nc2sc3CCCc3c2C#N)n1	MCULE-6700837891,EMOLS-id_324914714	476.433	YXLCFTOZBMHQDF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149836
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N)C)F	PC-id_134599074,SCHEMBL20252975	476.448	GNKZYMVIUDAJCS-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-149837
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)c2CCCn12	SCHEMBL21378278,BindingDB-id_980748,PC-id_139507415	476.448	GUQHJPUIJKAWBB-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-149838
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)n2CCCc12	PC-id_134285263,SCHEMBL19900986,BindingDB-id_799353	476.448	QYFFPWNVEOAOHQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-149839
NN/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1cc(F)c(c(c1)F)F)N	PC-id_142295084	476.452	AHBSGQZRQLOSEK-DHDCSXOGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-149840
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC)C(=O)OC	PC-id_45678531	476.456	ODXPTBJZFZHYRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149841
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OC)C(=O)OCC	PC-id_3465600	476.456	IXTXRTHJUJNENJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149842
c1(NC(=O)C=Cc2cccc(c2)Oc2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C#N	PC-id_19575049,MCULE-3153777586	476.461	BTQSSSVZYIRQPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149843
N#Cc1c(NC(=O)/C=C/c2cccc(c2)Oc2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc2c1CCC2	PC-id_6290788,CoCoCo_6628208	476.461	BTQSSSVZYIRQPG-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149844
N#Cc1c(NC(=O)/C=Cc2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)sc2c1CCC2	EMOLS-id_26692037,TIMTEC86182,ZINC22_12844326,GD-id_ZINC12844326,CoCoCo_6628207	476.461	BTQSSSVZYIRQPG-FPLPWBNLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149845
CCOC(=O)c1c(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)sc2c1CCC2	PC-id_17114315,ZINC22_8833278	476.465	UFKFKTYUTRBGOS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149846
FCc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_122501629,SCHEMBL18031618	476.478	PWROCDBQYJPPRA-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149847
CCc1ccc(cc1)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL18011990,PC-id_122484669	476.481	SHCXKUNFMTVKGW-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-149848
CCc1ccc(cc1)OCc1nnn(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117999568,SCHEMBL16624882	476.485	AYIXMJWSVUAMDS-XMMPIXPASA-N	00000010100000110001100010000000000000000000000000000000	25-01-149849
O=C(NCc1nn2c(c1C(=O)O)CCC2)c1ccc(Cn2cc([C@@H](O)Cc3ccccc3)nn2)o1	ZINC22_1875353868	476.485	JDQJRHQYGUYANK-FQEVSTJZSA-N	00000010101000110001000010000000000000000000000000000000	25-01-149850
O=C(NCc1nn2c(c1C(=O)O)CCC2)c1ccc(Cn2cc([C@H](O)Cc3ccccc3)nn2)o1	ZINC22_1875353869	476.485	JDQJRHQYGUYANK-HXUWFJFHSA-N	00000010101000110001000010000000000000000000000000000000	25-01-149851
c1(NC(=O)COc2nonc2C(=O)NCCN2C(=O)CSC2=O)sc2CCCc2c1C#N	MCULE-5089049240,EMOLS-id_333715262	476.486	VNEKPQDEXIJJFB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149852
COC(=O)c1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408617818	476.49	JWWSDWFPIHTQPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149853
C=C1CCC(CC1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758782	476.491	QCYFLSPAWNQNKY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149854
C=C1CCC(CC1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758594	476.491	QCYFLSPAWNQNKY-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149855
CCOC(=O)N1CC2(C1)c1ccccc1N(C2=O)Cc1nc2c(n1CCCC(F)(F)F)CCC2	SCHEMBL16812473,PC-id_118155333	476.491	FBZZJTGWXGYJMO-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-149856
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(N)cc(OC)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524111	476.496	ARMBCHUZLOSYLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149857
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)cc(OC)c1)C(=O)OC	PC-id_24367417	476.5	SYFGABGTZSMQBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149858
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)cc1)C(=O)OC	PC-id_41568675	476.5	YMKRKIHWLMDBSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149859
OCC(=O)N1CC(C1)C#CC#Cc1cc2n(c1)C(=O)N(C2)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729959	476.503	OJZJPZKKJFOIKS-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-149860
OCC(=O)N1CC(C1)C#CC#Cc1cc2n(c1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729960	476.503	OJZJPZKKJFOIKS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-149861
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(COC(=O)N)CC1)C	SCHEMBL18729874	476.503	CBXNKHAJSIELCN-HXUWFJFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-149862
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(COC(=O)N)CC1)C	SCHEMBL18729875	476.503	CBXNKHAJSIELCN-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-149863
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-7614819861,EMOLS-id_323158207	476.504	GZMPSRCYZKZZEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149864
c1(NC(=O)COc2cccc(c2)NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)c1C#N	MCULE-9877865329,EMOLS-id_323213195	476.504	CRNUTYSBOMAQJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149865
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)C(=O)N)sc2c(CCC2)c1C#N	EMOLS-id_321901051,MCULE-6043169579	476.508	LUCIALLJPYXQIV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149866
O=C(c1ccccc1NC(=O)c1ccc[nH]1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL1373681,PC-id_67009994	476.508	SGZCMBWMKNEMRX-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-149867
s1c2c(CCC2)c(c1Nc1nc(N2CCN(CC2)C(=O)OCC)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127522	476.509	HRGSBOUNMMXYFG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-149868
Cc1c(c(=O)c(cn1C(C)C)C(=O)NCc1cn2CCSc2n1)c1cc(ccc1)C(F)(F)F	SCHEMBL15491201,PC-id_89982805	476.515	RZWAIBSJBXQFFE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-149869
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1c(cccc1)C(F)(F)F)C#N	PC-id_33880700	476.515	LWHDLLMRLRQVEQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149870
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1c(F)cccc1)C(C)C)C(=O)OC	PC-id_51582109	476.518	PQNBREHSEQQVIP-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149871
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1c(F)cccc1)C(C)C)C(=O)OC	PC-id_51919198	476.518	PQNBREHSEQQVIP-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149872
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1c(F)cccc1)C(C)C)C(=O)OC	PC-id_45619162	476.518	PQNBREHSEQQVIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149873
CCOc1cc(cc(NC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c1OCC)C(=O)OC	EMOLS-id_31548300,PC-id_46861301,MCULE-8665819724	476.521	SLTINSBHNRACKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149874
CCOc1cc(C(=O)OC)cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1OCC	PC-id_52340452,ZINC22_51364501	476.521	SLTINSBHNRACKW-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149875
CCOc1cc(C(=O)OC)cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc23)c1OCC	ZINC22_51364502,PC-id_52340453	476.521	SLTINSBHNRACKW-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149876
S(=O)(=O)(N1CCCC1)c1cc([N+](=O)[O-])c(OCC(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_16504517	476.526	VVESMMGEVKHIQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149877
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)c1c(F)ccc(F)c1)C(=O)OCC	PC-id_55842358	476.536	JKXVPKPMUVFPIX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-149878
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCC)c(OCC)c(OCC)c1)C(=O)N	PC-id_3382529	476.543	DEUOLRXEMFZCMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149879
C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)o1	PC-id_25600345,ZINC22_12914742,CoCoCo_4181226	476.544	HBRGVTXQGQAZFZ-WDEREUQCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149880
C[C@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_12914725,PC-id_25600329,CoCoCo_4181229	476.544	HBRGVTXQGQAZFZ-MNOVXSKESA-N	00000010100000110001000010000000000000000000000000000000	25-01-149881
C[C@H](Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_12914731,PC-id_25600336,CoCoCo_4181227	476.544	HBRGVTXQGQAZFZ-QWRGUYRKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149882
C[C@@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_12914737,CoCoCo_4181228,PC-id_25600341	476.544	HBRGVTXQGQAZFZ-GHMZBOCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149883
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OCCc1ccccc1	PC-id_17072685	514.431	WRDAGOUKNYBILD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157484
COc1ccccc1C=C(c1ccccc1)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_3993660,MCULE-3590929447,EMOLS-id_43750383	476.544	KSKNIVRJQLIUTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149884
COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccccc1	PC-id_29155684,ZINC22_20792548	476.544	KSKNIVRJQLIUTR-XMHGGMMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149885
Fc1ccc(cc1)OC(c1nnc(o1)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	MCULE-5251404564,PC-id_45355325,EMOLS-id_16726716	476.544	HBRGVTXQGQAZFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149886
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(C(=O)c2c(ccc(c2)C)C)cccc1)C(=O)N	PC-id_24378942	476.544	KCKWHIIWQZHVDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149887
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)C)C(=O)OC	PC-id_17269023	476.544	AFCDBXGUKWRQHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149888
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCO)sc2CCCc2c1C#N	MCULE-2871296642,EMOLS-id_331928605	476.546	CFJISWBENHTFAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149889
C[C@@](CCN1Cc2cc(C#CC#CCN3CCC(O)CC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4469821,SCHEMBL20485337,PC-id_135315807	476.546	CCGOILUUXMFWEY-JOCHJYFZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149890
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CCN(CC1)C)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315194,SCHEMBL20484632	476.546	DKDARKHVDOBSQZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149891
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CCCO)(C(=O)NO)S(=O)(=O)C	PC-id_135315361,SCHEMBL20484819	476.546	LULOALOIIPRHTP-JOCHJYFZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-149892
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CCCO)(C(=O)NO)S(=O)(=O)C	PC-id_135315363,SCHEMBL20484822	476.546	LULOALOIIPRHTP-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-149893
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H](N(C1)C)CO)(C(=O)NO)S(=O)(=O)C	PC-id_135315447,SCHEMBL20484930	476.546	LIISHNAIOCMOCJ-DKZVUGQWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149894
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H](N(C1)C)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484932,PC-id_135315449	476.546	LIISHNAIOCMOCJ-XYYPCALBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149895
CC(CCN1Cc2cc(cn2C1=O)C#CC#CCN1CCC(CC1)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315808,SCHEMBL20485338	476.546	CCGOILUUXMFWEY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149896
CCOC(=O)C1CCN(CC1)[C@@H](C1C(=O)n2c(ncn2)S1)c1cc(c(c(c1)OC)OC)OC	PC-id_134715974	476.546	OJNLUUOOIWQVDA-DUSLRRAJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149897
OC[C@H]1CC(CN1C)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	PC-id_141517599	476.546	LIISHNAIOCMOCJ-RYLMWKJUSA-N	00000010100000000001000010000000000000000000000000000000	25-01-149898
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(O)CCN(CC1)C)C	SCHEMBL20484631	476.546	DKDARKHVDOBSQZ-OAQYLSRUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-149899
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_44053062	476.546	SQWSUSPVMXWXME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149900
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC(=O)NCCOC)C1	PC-id_44052949	476.546	TWKUQQXWCPGVOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149901
c1(NC(=O)c2cc([nH]n2)c2ccc(c(C)c2O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2280705485,CoCoCo_6285292,CoCoCo_6285291,EMOLS-id_4683754,EMOLS-id_30362193,STOCK5S-48440,ZINC22_9124149,TIMTEC412780	476.547	QUDWQJNCDCBEJI-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149902
c1(NC(=O)c2cc([nH]n2)c2cc(C)cc(C)c2O)sc2c(CCC2)c1C(=O)NCc1ccco1	STOCK5S-41488,EMOLS-id_30351891,TIMTEC165656,CoCoCo_6233542,CoCoCo_6233541,MCULE-3670647626,ZINC22_15974333,EMOLS-id_4678087	476.547	GENACLIPYJEEEI-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149903
c1(NC(=O)c2cc([nH]n2)c2c(O)cc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_4668990,MCULE-8228642805,CoCoCo_6233828,TIMTEC173760,EMOLS-id_30351177,ChEMBL-DNDi_CHEMBL1301131,CoCoCo_6233827,ZINC22_15962002,CHEMBL1301131,STOCK5S-30016	476.547	GNOCAVKRGXINCS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149904
c1(NC(=O)c2[nH]nc(c3c(C)cc(cc3O)C)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_4681652,TIMTEC400643,STOCK5S-45870,ZINC22_9124004,CoCoCo_6286474,MCULE-1751986569,CoCoCo_6286473	476.547	QGSAKRHCNCRGOV-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149905
c1(NC(=O)c2[nH]nc(c3cc(CC)ccc3O)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2191383541,PC-id_135785355	476.547	CHNNNZHQHMUKPS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-149906
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCC2)c1C#N	MCULE-8355186103,EMOLS-id_321808752	476.547	WWWKQKAMSAHBFU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149907
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccc(OCC)cc2)sc2c(CCC2)c1C#N	MCULE-7797747409,EMOLS-id_321803388	476.547	WJCVFQQRJBNDNQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149908
c1(NC(=O)COc2cccnc2NC(=O)CCCOc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321804156,MCULE-2350153820	476.547	MNMUYWJLANRHGS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149909
c1(NC(=O)COc2cccnc2NC(=O)COc2ccc(cc2)CC)sc2c(CCC2)c1C#N	EMOLS-id_321805693,MCULE-3639512336	476.547	KMIURPNYGSYBSS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149910
c1(NC(=O)COc2cccnc2NC(=O)COc2cc(C)ccc2C)sc2c(CCC2)c1C#N	EMOLS-id_321805181,MCULE-8955274473	476.547	LEFTZFGWJLJIRR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149911
c1(NC(=O)COc2cccnc2NC(=O)COc2c(C)cccc2C)sc2c(CCC2)c1C#N	MCULE-5109454433,EMOLS-id_321804157	476.547	NEWSVWYVUYMNQL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149912
c1(NC(=O)COc2cccnc2NC(=O)COc2cccc(C)c2C)sc2c(CCC2)c1C#N	MCULE-8051394423,EMOLS-id_321804669	476.547	COYJXANSFGZSEJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149913
c1(NC(=O)COc2cccnc2NC(=O)COc2cccc(CC)c2)sc2c(CCC2)c1C#N	MCULE-9765374880,EMOLS-id_321805949	476.547	KFRLCATVZGIKGG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149914
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccccc2C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321769725,MCULE-5595724116	476.547	JAXWSBUDRMYNQV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149915
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	MCULE-4692872927,EMOLS-id_321772796	476.547	AOTSXNNIZCTZMB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149916
c1(NC(=O)COc2cccnc2NC(=O)Oc2c(C)ccc(C)c2C)sc2c(CCC2)c1C#N	EMOLS-id_321773564,MCULE-3484395237	476.547	UNDKEZYBEJOHGW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149917
c1(NC(=O)COc2cccnc2NC(=O)Oc2cccc(C(C)C)c2)sc2c(CCC2)c1C#N	EMOLS-id_321770493,MCULE-2965543625	476.547	IMCTUBUUYGTNFU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149918
c1(NC(=O)COc2cccnc2NC(=O)OCCCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-2131647480,EMOLS-id_321795622	476.547	JYPSARUGDARCJK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149919
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC22_12536379,EMOLS-id_24130777,CoCoCo_3846129,PC-id_25342735,MCULE-5910474194	476.547	CPYNIPLSNHUYRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149920
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C=C(C(=CC2=O)C)C)/NN1)C(=O)NCc1occc1	PC-id_16189649	476.547	ZLGGZOOWRMCNAS-ISLYRVAYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149921
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(C(=CC2=O)C)C)/NN1)C(=O)NCc1occc1	PC-id_5624094	476.547	ZLGGZOOWRMCNAS-ZCXUNETKSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149922
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=CC(=CC2=O)C)C)/NN1)C(=O)NCc1occc1	PC-id_6100246	476.547	BGHCEFVAWXFRGA-FXBPSFAMSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149923
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C=C(C(=CC2=O)C)C)NN1)C(=O)NCc1occc1	PC-id_6776410	476.547	ZLGGZOOWRMCNAS-UHFFFAOYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149924
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=CC(=CC2=O)C)C)NN1)C(=O)NCc1occc1	PC-id_6776419	476.547	BGHCEFVAWXFRGA-UHFFFAOYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149925
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(CC)C=CC2=O)/NN1)C(=O)NCc1occc1	PC-id_19131074	476.547	LQIHCTSUUQCADJ-ZCXUNETKSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149926
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=O)C(=CC(=C2)C)C)/NN1)C(=O)NCc1occc1	PC-id_12004475	476.547	SARDGLZDKZZPQL-ISLYRVAYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149927
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C(=CC(=C2)C)C)/NN1)C(=O)NCc1occc1	PC-id_5591499	476.547	SARDGLZDKZZPQL-ZCXUNETKSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149928
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C(=C(C=C2)C)C)/NN1)C(=O)NCc1occc1	PC-id_6100069	476.547	KGVYLWIHIHXMSW-VLGSPTGOSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149929
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C(=CC(=C2)C)C)NN1)C(=O)NCc1occc1	PC-id_6771944	476.547	SARDGLZDKZZPQL-UHFFFAOYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149930
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C(=C(C=C2)C)C)NN1)C(=O)NCc1occc1	PC-id_6774259	476.547	KGVYLWIHIHXMSW-UHFFFAOYSA-N	00000011101011000001100010000000000000000000000000000000	25-01-149931
C[C@H]1CN([C@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)COC)CCO)C	SCHEMBL20503334,PC-id_135331926	476.548	QJAQNXAHOIPYAQ-KBPBESRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149932
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](N(C[C@@H]1C)C)CCO)F	SCHEMBL20503377,PC-id_135331959	476.548	OHRBSICUXBASGF-KBPBESRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149933
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(CCO)N(C)C[C@@H]2C)C3(C)C)n1	PC-id_25158852,BindingDB_PC-id_25158852,BindingDB-id_546111,SCHEMBL2879331	476.548	OHRBSICUXBASGF-LSLKUGRBSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149934
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C(O)C)N(C[C@@H]1C)C)F	PC-id_117993552,SCHEMBL16617859	476.548	QNVAWOUFJCHIEH-FUJMWEONSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149935
COCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(CCO)N(C)C[C@@H]2C)C3(C)C)n1	SCHEMBL2880916,BindingDB-id_546124,PC-id_25158849,BindingDB_PC-id_25158849	476.548	QJAQNXAHOIPYAQ-LSLKUGRBSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149936
COCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(OCC)ncc1F	SCHEMBL19200662	476.548	YBTFQHDGFPXCFS-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149937
COCCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C(C1)(C)C)C)F	SCHEMBL14103852,PC-id_71070274	476.548	HQIZWLGKOIWGDM-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149938
COCCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1	BindingDB-id_546100,PC-id_59334015,SCHEMBL3324645,BindingDB_PC-id_59334015	476.548	ZZUJVVYOODOFFX-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149939
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(C(C2)C)C)C)(C)C)nc(OCCCO)nc1	PC-id_77457836	476.548	CHTAZWPKSXYNGW-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149940
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(C(C2)C)C)C)(C)C)nc(OCCOC)nc1	PC-id_72257769	476.548	ZZUJVVYOODOFFX-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149941
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2[C@H](CN([C@@H](C2)C)C)C)(C)C)nc(OCCCO)nc1	PC-id_68164457,SCHEMBL11913306	476.548	CHTAZWPKSXYNGW-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-149942
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(N(C)C)cc2)sc2c(CCC2)c1C#N	MCULE-2956193569,EMOLS-id_321901822	476.551	IYXYCZILKQWYFN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149943
c1(NC(=O)COc2cccnc2NC(=O)N(C)CCc2ccncc2)sc2c(CCC2)c1C#N	MCULE-6131879160,EMOLS-id_321858489	476.551	UQPMSYKBONWGSA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-149944
Cc1c(cccc1c1n[nH]c(=O)c(c1)Nc1nn(c(c1)C)C)NC(=O)c1cc2c(s1)CCC2O	SCHEMBL2489456,PC-id_58540008	476.551	SZUGHGICKZEYNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-149945
CCCOc1ccc(cc1OC)C(CC(=O)O)NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-1230616373,EMOLS-id_328213364	476.564	FRTGMZTYRPMSGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149946
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCC3)c2C(=O)O)sc2c(CCC2)c1C(=O)O	ZINC22_2333545,MCULE-9796856907,PC-id_1947864,EMOLS-id_3743436,CoCoCo_3821187,STOCK2S-25538	476.566	MTNZUHVTNIZVER-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149947
s1c2CCCc2cc1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1sc2CCCc2c1	PC-id_16505611	476.566	LHIUFLSQUVPOLX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149948
s1c2c(CCC2)c(c1NC(=O)CCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_4100833	476.566	USASERRTLSNZCB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149949
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1N(CCC1)C(=O)c1sccc1)C(=O)OCC	PC-id_45701586	476.566	IUSBDPSMBVMLHW-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149950
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H]1N(CCC1)C(=O)c1sccc1)C(=O)OCC	PC-id_51580947	476.566	IUSBDPSMBVMLHW-AWEZNQCLSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149951
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H]1N(CCC1)C(=O)c1sccc1)C(=O)OCC	PC-id_51916766	476.566	IUSBDPSMBVMLHW-CQSZACIVSA-N	00000010100100000000000010000000000000000000000000000000	25-01-149952
s1c2c(CCC2)c(c1NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C(=O)OCC	PC-id_3478044	476.566	RDUZKQPRWWFTQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-149953
s1c2c(CCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OCC)C(=O)OCC)C(=O)OC	PC-id_20181319	476.566	KPZHBFFPNACNKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149954
s1c2c(CCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OCC)C(=O)OCC)C(=O)OC	PC-id_20181501	476.566	DFUCUXMRICUXRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149955
S(=O)(=O)(C1(CCCC1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccccc1	PC-id_46694035	476.566	WLJHGKHRBUSKSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149956
COc1ccc(cc1OCC1CCCCO1)CN(C(=O)c1[nH]nc2c1CCC2)Cc1ccncc1	ChEMBL-DNDi_CHEMBL49537816	476.567	PENRCJDNPFVECZ-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-149957
COc1ccc(NCC(=O)Nc2sc3c(c2C#N)CCC3)cc1S(=O)(=O)N1CCOCC1	EMOLS-id_11805273,MCULE-6704632267,PC-id_16360495,ZINC22_9469477,CoCoCo_3687016	476.569	IVKNBHSJTVOWLI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-149958
O=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2)NC1CCCC1	PC-id_56615525,SCHEMBL11224352	476.569	NBQWVIYAMJLRRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149959
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(s1)C1(N)CC1)C	PC-id_118368827,SCHEMBL17080561	476.569	GWNCZESAAHUAGC-UHFFFAOYSA-N	00100010100100000001100010000000000000000000000000000000	25-01-149960
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(s1)C1(N)CC1)C	SCHEMBL17080558,PC-id_118368824	476.569	GWNCZESAAHUAGC-HXUWFJFHSA-N	00100010100100000001100010000000000000000000000000000000	25-01-149961
c1(NC(=O)CSc2c(ccc(c3ccc(c(OC)c3)OC)n2)C#N)sc2c(CCC2)c1C#N	CoCoCo_6930125,CHEMBL1458390,ZINC22_8451131,BindingDB_PC-id_1773629,STOCK3S-20004,MCULE-8944065158,ChEMBL-DNDi_CHEMBL1458390,SPECS-id_AM-807/14147387,EMOLS-id_3750402,PC-id_1773629,BindingDB-id_106196	476.571	MMEWMWJJQRCRQN-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-149962
CN(c1ccc(cc1)c1ccc(cc1)CN1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL5543417,PC-id_69481581	476.571	VROLOBILMDBCGI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149963
O=C(CC1CCn2c1ncc2)NCCc1cccc(c1)CCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19223299	476.571	MEDGPDZHLAIIJK-FOIFJWKZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149964
O=C(C[C@@H]1CCn2c1ncc2)NCCc1cccc(c1)CCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220289	476.571	MEDGPDZHLAIIJK-FCHUYYIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149965
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc2n(nc(c2c1)C)Cc1ccccc1)C#N	PC-id_16499002	476.571	BHHCXFXJROVLTK-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-149966
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCC(CC1)C(=O)OC	PC-id_41732938	476.586	CCDUQCAASOSNPV-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-149967
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6104206666	476.587	SWJKFPKRMPWHDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149968
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8656777958	476.587	ARLHKSSEVVHONB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149969
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5827982937	476.587	ZZAHXJWXBWFKGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149970
c1(NC(=O)COc2ccccc2OCC=C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330536,MCULE-2015670945	476.587	GVSLBJFGZYEDNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149971
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1OC	EMOLS-id_334328230	476.587	ARLHKSSEVVHONB-WYMLVPIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149972
COc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)c(OC)c1	EMOLS-id_334331301	476.587	SWJKFPKRMPWHDP-WYMLVPIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-149973
COc1ccc(OC)c(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)c1	EMOLS-id_334329005	476.587	ZZAHXJWXBWFKGD-SDNWHVSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-149974
CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O	EMOLS-id_3399611,CoCoCo_2840887,MCULE-5729013323,ZINC22_9128642,PC-id_4842331	476.589	PHFXUVMQRVRWER-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-149975
O=C(Nc1cccc(c1)S(=O)(=O)NC1=[NH+]CCCCC1)COC(=O)c1sc2c(c1)CCC2	GD-id_ZINC09119562	476.589	BGASHBRBTIWFTN-UHFFFAOYSA-O	00000010100000110110000010000000000000000000000000000000	25-01-149976
s1c2CCCc2cc1C(=O)OCC(=O)N(CCCCC)c1c(n(CCCC)c(=O)[nH]c1=O)N	PC-id_42978168	476.589	VPNPJIQTPPJXIZ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-149977
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1nc(sc1)c1sccc1)C(=O)OCC	PC-id_27774988	476.589	AEHCFDCWCAKWQO-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-149978
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC(=O)NCCC)C1	PC-id_44052884	476.589	GQUYSPGONAVXCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-149979
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCC)sc2CCCc2c1C#N	EMOLS-id_332710982,MCULE-5216161263	476.591	RAFRXWSRSZXOSQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149980
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCC)sc2CCCc2c1C#N	EMOLS-id_332711240,MCULE-9596008640	476.591	LIKUCSZEZXNIJA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149981
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332713033,MCULE-2010414538	476.591	UVFWZQJKQOCTHF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149982
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CC)sc2CCCc2c1C#N	EMOLS-id_332714820,MCULE-5215828255	476.591	UQTPPTRDROTMMW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149983
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCC)sc2CCCc2c1C#N	MCULE-4785792840,EMOLS-id_332712013	476.591	IMDQIVLDZAZYJC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149984
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CC)sc2CCCc2c1C#N	MCULE-8233076766,EMOLS-id_332717125	476.591	PBWNTCCNLSEQAN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149985
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCC)sc2CCCc2c1C#N	EMOLS-id_332713287,MCULE-2089838109	476.591	KPOBDXDHCJORPN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149986
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CC)sc2CCCc2c1C#N	EMOLS-id_332714310,MCULE-1990181914	476.591	BWQBLGVRIZMIMK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149987
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CC)sc2CCCc2c1C#N	EMOLS-id_332717637,MCULE-4397386491	476.591	ZQBJBXSTAKUJEN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149988
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CC)sc2CCCc2c1C#N	MCULE-5441870616,EMOLS-id_332717893	476.591	PFULLIDSUWJPOU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149989
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332716099,MCULE-6604485239	476.591	LMATXVNDPCIBDL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149990
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332717891,MCULE-7214979600	476.591	OTBKBDXENSXORI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149991
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CC)sc2CCCc2c1C#N	EMOLS-id_331927062,MCULE-7032404456	476.591	PPNCUTGQLLZEPG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149992
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccccc2C)sc2CCCc2c1C#N	MCULE-4121783591,EMOLS-id_331926554	476.591	FEXQMXFQGFOSEH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149993
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-6203223988,EMOLS-id_331931923	476.591	XMKRSQNKPXKDDK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149994
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2cccc(C)c2)sc2CCCc2c1C#N	MCULE-2114768526,EMOLS-id_331923737	476.591	YABNYDAVZLTHEQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149995
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331921691,MCULE-7632146028	476.591	AEGXMBXXORDTQU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-149996
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324905486	476.591	ACLSFAITEUQERD-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149997
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)CCc1ccc(cc1)C	MCULE-9353814854	476.591	ACLSFAITEUQERD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-149998
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_16947512	476.591	FYECXSDEPYGBJS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-149999
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)c1cc(OC)ccc1	PC-id_16947640	476.591	VXAIVGJBYFWNMI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150000
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)c1c(OC)cccc1	PC-id_16947513	476.591	WDTHHNKNZJTRGO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150001
s1c2CCC(C(=O)N3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_16947824	476.591	VZZSYYXRSYBDOM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150002
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)C(c1ccccc1)c1ccccc1	PC-id_44053083	476.591	KZYJWISBBPCELA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150003
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)Cc1ccc(cc1)c1ccccc1	PC-id_44053205	476.591	HSXHESAJNPAZTP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150004
COC(=O)c1c(NC(=O)CSc2nnc(Nc3ccc(OC)cc3)s2)sc2c1CCC2	PC-id_16272780,MCULE-4720406642,CoCoCo_3023241,ZINC22_8826215,EMOLS-id_43759064	476.592	HYCXPYNLMJGFLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150005
s1c2c(CCC2)c(c1NC(=O)CCN(C1C(N(CCCC)C(=O)NC1=O)N)CCOC)C#N	PC-id_76299021	476.592	NMVWEXLAQIZGKZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150006
s1c2c(CCC2)c(c1NC(=O)CSc1sc(Nc2cc(OC)ccc2)nn1)C(=O)OC	PC-id_41433012	476.592	IZZYRBXOCXRSLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150007
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1onc(n1)c1ccc(cc1)C)C#N	PC-id_55625671	476.594	WRZODXKASYJLBC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150008
CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)NN=Cc2cccs2)sc2c1CCC2	MCULE-7739731787,PC-id_73384591	476.595	RQQMMCCPSKYVJE-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-150009
CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)N/N=C/c2cccs2)sc2c1CCC2	PC-id_17369084,SPECS-id_AN-153/I184317	476.595	RQQMMCCPSKYVJE-AWQFTUOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-150010
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC(=O)N)c(nn1)c1sccc1)C(=O)N	PC-id_55516449	476.595	REPYZLKGUPGOTJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150011
COC(c1ccccc1F)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19542094	476.607	SFISXIPPWSMSON-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150012
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccc(cc1)F	SCHEMBL19537112	476.607	VOZDNFMOJQWXGH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150013
COC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1cccc(c1)F	SCHEMBL19537386	476.607	MKLIRKRGNCSBJZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150014
CO[C@H](c1ccccc1F)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537159	476.607	SFISXIPPWSMSON-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150015
c1(c2CCCc2sc1NC(=O)c1cccc(OCCCC)c1)C(=O)NC1CCS(=O)(=O)C1	MCULE-9882056197,PC-id_17012695,EMOLS-id_10105470,TIMTEC434774,SPECS-id_AS-871/43477488	476.609	RSVVBJKVNLQRRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150016
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)C)sc2c(CCC2)c1C(=O)OCC	MCULE-6040743342,PC-id_1539826,ZINC22_1470015	476.609	UEPGRXXMHKHNMC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150017
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AF-399/37326006,CoCoCo_759423,EMOLS-id_1129438,STOCK2S-48443,ZINC22_715651,PC-id_1042708,MCULE-6043261009	476.609	OFSHVQLPIPCNPJ-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-150018
CCCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1	CoCoCo_6329976,PC-id_35042726,ZINC22_27663139	476.609	RSVVBJKVNLQRRN-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150019
CCCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1	ZINC22_27663137,CoCoCo_6329975,PC-id_35042724	476.609	RSVVBJKVNLQRRN-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150020
CCOC(=O)c1c(NCC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)sc2c1CCC2	PC-id_110828132	476.609	NSUHIWAIBYXUCU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150021
CCOC(=O)c1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)sc2CCCc12	MCULE-4443105688,EMOLS-id_2002245,ZINC22_1452066,ChEMBL-DNDi_CHEMBL7761176,PC-id_1526394,CoCoCo_983462	476.609	BHDMHIKDUFEHFC-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-150022
CS(=O)(=O)c1ccc(cc1)NCc1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O	PC-id_135200268,SCHEMBL20353841	476.609	BDQNXEFGAOVOPI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150023
S(=O)(=O)(N1C(CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_23740049	476.609	OGBREELLGOQTPT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150024
S(=O)(=O)(N1CC(CCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_24069871	476.609	IXLWKEYCUYPMGW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150025
S(=O)(=O)(N1CC(CC(C1)C)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_23734133	476.609	WMQHQYHCFLNKLX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150026
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(cc1)C	PC-id_16862848	476.609	NBSPCMSEZCZJBW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150027
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(cc1)C	PC-id_41831193	476.609	CMEAMRSPOTWEJP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150028
S(=O)(=O)(N(C1CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_43947306	476.609	POHVINVMFUTTJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150029
S(=O)(=O)(N(C1CCCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_23904073	476.609	ACXOSFIWRKOZIA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150030
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCN(C)C)sc2CCCc2c1C#N	MCULE-4409060221,EMOLS-id_331790778	476.612	YSXXFVBBXJRQAH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150031
Cc1c2CN(C(=O)n2c(n1)C)CCN1CCN(CC1)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C	PC-id_91399327	476.612	MPEHJGQUAUGLSU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150032
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)S(=O)(=O)Cc1ccccc1	CoCoCo_4229808,PC-id_41130542	476.612	ONWMGRPPRWWMIW-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150033
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)S(=O)(=O)Cc1ccccc1	PC-id_41130546,CoCoCo_4229809	476.612	ONWMGRPPRWWMIW-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150034
O=C([C@@H](C(C)(C)C)N(C(C)(C)C)C(=O)O)N1CCN(CC1)CCN1Cc2n(C1=O)c(nc2C)C	PC-id_68647134,SCHEMBL3449631	476.612	XUSGQXJJNMZZFO-IBGZPJMESA-N	00000010100010000001000010000000000000000000000000000000	25-01-150035
O=C(N1CCN(CC1)CCN1Cc2n(C1=O)c(nc2C)C)C(N(C(C)(C)C)C(=O)O)C(C)(C)C	PC-id_77532913	476.612	XUSGQXJJNMZZFO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150036
s1c2c(CCC2)c(c1NC(=O)CN1CCC(NC(=O)c2scnc2C)CC1)C(=O)OCC	PC-id_56232277	476.612	NKTSHNDXWBCGCB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150037
s1c2CCCc2nc1CN1CCN(CC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	PC-id_44060323	476.612	NZRIORCXOCXZTJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150038
S(c1n(c(nn1)C1CC1)CC1OCCC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19726608	476.612	YBZOORWPUZYFTE-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-150039
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)Cc1ccccc1	PC-id_16361609	476.612	ONWMGRPPRWWMIW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150040
S(=O)(=O)(N1CCN(CC1)C(=O)CCC(=O)Nc1sc2CCCc2n1)c1c(ccc(c1)C)C	PC-id_33040825	476.612	PQGYYRWPHCAZKB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150041
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3822962892,EMOLS-id_334329257	476.63	UUHIRQQAFKUUQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150042
c1(NC(=O)CCCOc2c(C)cccc2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1427930594,EMOLS-id_334331304	476.63	PBHSNHFWKZSMGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150043
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330792,MCULE-9273856496	476.63	CVNSBOXYWXBFST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150044
c1(NC(=O)C(C)Oc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7965213088,EMOLS-id_334329000	476.63	IKVCAPPAGRXJQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150045
CCOC(=O)c1c(NC(=O)CCCN(Cc2ccccc2)Cc2ccccc2)sc2CCCc12	MCULE-8588999874,EMOLS-id_327973354	476.63	LTYABPCYLNZUDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150046
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(F)cccc1OC([2H])([2H])[2H]	PC-id_140883028	476.634	ODENZUOAORNUNN-HPRDVNIFSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150047
N#Cc1c(NC(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cn2)sc2c1CCC2	CoCoCo_4308318,PC-id_16348885,MCULE-1971855264,ZINC22_9603535,EMOLS-id_11793468	476.635	DDHXCNZOXAWNAH-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-150048
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_19717999	476.635	HUPLIVIQIXDULK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150049
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_19718133	476.635	JZFWOTZTVLIBOW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150050
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1sccc1)C(=O)OCC	PC-id_19725666	476.635	HTKVTKLFFADOJN-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150051
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1sccc1)C(=O)OCC	PC-id_19725811	476.635	DLNAXHADWXWASW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150052
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)C)C(=O)OC	PC-id_19721483	476.635	FMUITROTQXLSDO-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150053
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC)C(=O)OC	PC-id_19718577	476.635	YJMYQWSHEZEETB-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150054
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)C)C(=O)OC	PC-id_19719185	476.635	SIIKJUGZWOFORJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150055
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)C)C(=O)OC	PC-id_19719957	476.635	UVEFWMSDKSKHBI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150056
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC)C(=O)OC	PC-id_19720873	476.635	IZKKYYWYWYUVQS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150057
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC)C(=O)OCC	PC-id_19717704	476.635	BEMMAQLWFOEFPU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150058
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)C)C(=O)OCC	PC-id_19718435	476.635	UYFCHHBONSJRQD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150059
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)C)C(=O)OCC	PC-id_19720729	476.635	NIYCMVIGQBPIKR-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-150060
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC)C(=O)OCC	PC-id_17303768	476.635	SOYHBABOZPGVBL-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-150061
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC)C(=O)OCC	PC-id_20128472	476.655	PZYRESOFRFNUHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150062
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC)C(=O)OC	PC-id_17303363	476.655	LEKLNNJGSIUVKU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150063
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)C)C(=O)OCC	PC-id_20125763	476.655	SWAYOIHVRBQYEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150064
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)ccc1Cl	PC-id_4985926	476.758	GOBYESSXDSMMFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150065
Brc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)cc1	PC-id_16947409	476.774	XNYIVBYSBGYSHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150066
Brc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)ccc1	PC-id_16947408	476.774	CHYWSOGINUGRQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150067
Cc1ccc(CCc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)cc1	EMOLS-id_324910083	476.774	ODCSNAWTHVYRBM-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150068
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)CCc1ccc(cc1)C	MCULE-3182914974	476.774	ODCSNAWTHVYRBM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150069
CC(=N)c1c(ncc(c1Cl)C(=O)Nc1ccc(cc1)C(F)(F)F)NCc1nn2c(c1)CCC2	PC-id_145130730	476.882	HTOQJCAIWDDBAY-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150070
c1(C(F)(F)F)c2CCCc2n(CC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)Cl)n1	TIMTEC595581,ZINC22_20607511,PC-id_19591026,MCULE-2225650473,EMOLS-id_8867555	476.9	ZKCGPAXHDYBRNE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150071
Clc1n(nc(c1C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C)c1ccc(F)cc1	PC-id_42975290	476.908	ORSBLRYIKJFHMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150072
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C(C)C)C(=O)NC)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134285058,SCHEMBL19900746	476.928	QHGFTHBOWDIITM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150073
CNC(=O)CCCCNC(=O)C(=O)c1c2CCCn2c(c1C)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_142295077	476.928	FYUNTJKYCLAKIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150074
CNC(=O)[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12)C(C)C	BindingDB-id_799428,SCHEMBL19900744,PC-id_134285057	476.928	QHGFTHBOWDIITM-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150075
Clc1ccc(N(C2C(NC(=O)c3sc4c(n3)CN(C4)C)CCCCC2)C(=O)C(=O)N)nc1	PC-id_77589816	476.98	USZGRDUBWPOYOW-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-150076
Clc1ccc(N([C@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)CCCCC2)C(=O)C(=O)N)nc1	SCHEMBL4360698,PC-id_69016106	476.98	USZGRDUBWPOYOW-UKRRQHHQSA-N	00000010100000101101000010000000000000000000000000000000	25-01-150077
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CCCCC2)nc1	PC-id_77218660	476.98	WFXAEKQRAZHHMJ-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-150078
Clc1ccc(NC(=O)C(=O)N[C@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)CCCCC2)nc1	PC-id_67056397,SCHEMBL1503710	476.98	WFXAEKQRAZHHMJ-ZIAGYGMSSA-N	00000010100000101101000010000000000000000000000000000000	25-01-150079
c1(NC(=O)c2c(Cl)cnc(SCCC)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_16435253,MCULE-4377164654,EMOLS-id_2637038,ZINC22_9431834,ChEMBL-DNDi_CHEMBLD054-0493,CoCoCo_2210171,TIMTEC106583	476.999	CQNJRSQTWACBRH-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-150080
c1(NC(=O)c2c(Cl)cnc(SC(C)C)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	ZINC22_8916285,CoCoCo_2237498,EMOLS-id_2644654,TIMTEC286107,ChEMBL-DNDi_CHEMBLD233-0752,PC-id_16445991,MCULE-5744229545	476.999	LITMPFOWNSEZFZ-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-150081
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1sc2c(n1)CN(C2)Cc1ccc(cc1)Cl	PC-id_144742221	476.999	AZOYPLPWNARNPN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150082
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1sc2c(n1)CN(C2)Cc1ccc(cc1)Cl	PC-id_144742157	476.999	NTYAOUZKPBYIPS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150083
Clc1c(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cccc1	PC-id_19728158	476.999	KJVCGLRMRWJNKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150084
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cccc1	PC-id_19728078	476.999	QQNHYQSRVWOBAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150085
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc1	PC-id_19728476	476.999	DUEUVZWUOCNNQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150086
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc1	PC-id_19728379	476.999	AEWRDXNMJIBIIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150087
Clc1ccc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_16505682	476.999	SRDQRMYWTAVPNO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150088
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_17264042	476.999	ZYQRATPLAGKRKT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150089
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1	PC-id_20124027	476.999	OHFXICRNQACAIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150090
Clc1c(NC(=O)C[NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_30955603	476.999	NMYXOTYDVDHENY-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150091
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)CCOc1ccccc1Cl	PC-id_17559179,EMOLS-id_12018569,MCULE-5137037807	477.019	QEJHSAQLWOIGSE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150092
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CCOc2ccccc2Cl)CC1	CoCoCo_4456674,PC-id_30634398,CoCoCo_4456673,ZINC22_22798795	477.019	QEJHSAQLWOIGSE-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150093
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CCOc2ccccc2Cl)CC1	CoCoCo_4456675,CoCoCo_4456676,PC-id_30634403,ZINC22_95946964	477.019	QEJHSAQLWOIGSE-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150094
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CCOc2ccc(Cl)cc2)CC1	CoCoCo_4230874,PC-id_30627965,ZINC22_22791692,CoCoCo_4230873	477.019	RTZMUXYQYXLPPO-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150095
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CCOc2ccc(Cl)cc2)CC1	PC-id_30627972,ZINC22_22791698,CoCoCo_4230876,CoCoCo_4230875	477.019	RTZMUXYQYXLPPO-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150096
Clc1ccc(cc1)OCCN1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_11785827,PC-id_16342620,MCULE-9009713742	477.019	RTZMUXYQYXLPPO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150097
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278832	477.029	BRXOVYBEBVJGFY-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-150098
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)CC3=CC(=C(C=C3)F)C#N	PC-id_161191063	477.054	CBFAZTGSGARIEM-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150099
C1C2=CN(N=C2CN1C(=O)/C(=CO)/C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)C5=CC=CC=C5	PC-id_164872300	477.082	IABKEOCMAHXIGL-SILNSSARSA-N	00000010100100110001100010000000000000000000000000000000	25-01-150100
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC(C)(C)CCC(=O)O)F	PC-id_164991999	477.147	PAZYAUDNJSULOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150101
CC(C)(C)OC(=O)CC1CCC(CC1)(C#N)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)O)Cl	PC-id_164801006	477.167	HTSBZHIBZISWDS-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-150102
CC1=C(C(=CC=C1)C2CCC(CC2)CCC(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(C5)O)C	PC-id_153575357	477.299	YJZIYDMYYIIORU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150103
CC1=C(C(=CC=C1)C2CCC(CC2)CCC(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@@H](C5)O)C	PC-id_153575453	477.299	YJZIYDMYYIIORU-IWAAJCSBSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150104
Brc1ccc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2ccc(F)cc2)cc1	PC-id_46872130	477.307	QWLISTJKTBONBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150105
n12nc(nc1sc(=Cc1cccc(c1)N(=O)=O)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2962389521	477.321	BETWNMYGAOJEPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150106
n12nc(nc1sc(=Cc1ccc(cc1)N(=O)=O)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-5213164865	477.321	MEVLPKUUKZWLCS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150107
n12nc(nc1sc(=Cc1ccccc1N(=O)=O)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6310961354	477.321	YWRVTTIZAKZTTL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150108
[O-][N+](=O)c1ccccc1/C=c/1sc2nc(CCCOc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324915207	477.321	YWRVTTIZAKZTTL-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150109
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324916224	477.321	MEVLPKUUKZWLCS-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150110
[O-][N+](=O)c1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324918788	477.321	BETWNMYGAOJEPJ-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150111
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408630116	477.382	NWHJHSHIIJDXKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150112
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408620514	477.382	OYOSWZFKAPKVKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150113
COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408619377	477.382	LYQCLYFGWLYTEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150114
COC(=O)c1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408618625	477.382	KPQNGZNBIPGTQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150115
O=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_117999742,SCHEMBL16625076	477.393	NIHASSDDJLBISC-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150116
O=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19704658	477.393	NIHASSDDJLBISC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150117
Brc1ccc(n2c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)ncc2)cc1	PC-id_24500830	477.398	YVCDUCHMLYADSF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150118
NC(=O)c1c(NC(=O)CSc2ncc(c3ccc(Br)cc3)[nH]2)sc2c1CCC2	PC-id_16270135,MCULE-2816140172,CoCoCo_4183579,CoCoCo_4183580,EMOLS-id_13398280,ZINC22_8709952	477.398	IXDQMXXYMJEGAK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150119
Clc1cc(NC(=O)C2N(CCC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cc(Cl)c1	PC-id_56101611	477.407	XFWOGEVJNSPLEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150120
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(c2)C(F)(F)F)sc2CCCc2c1C#N	MCULE-2766721440,EMOLS-id_333679860	477.416	MYRGHLOYFYSWTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150121
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)C(F)(F)F)sc2CCCc2c1C#N	MCULE-6645432381,EMOLS-id_333680119	477.416	RMUMWXPMBVBHCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150122
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH+]2CCCCC2)cc1	PC-id_40873095	477.438	YPCAQXOUDGNQPD-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-150123
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CC(CCC2)C)cc1	PC-id_78243638	477.438	LULSTRXNTYSSBO-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-150124
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCCCCC2)cc1	PC-id_27003032	477.438	QXQIOLKZJNETOW-UHFFFAOYSA-O	00000010100000110100000010000000000000000000000000000000	25-01-150125
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2C[C@@H](CCC2)C)cc1	PC-id_1734468	477.438	LULSTRXNTYSSBO-CQSZACIVSA-O	00000010100010110000000010000000000000000000000000000000	25-01-150126
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2C[C@H](CCC2)C)cc1	PC-id_6567064	477.438	LULSTRXNTYSSBO-AWEZNQCLSA-O	00000010100010110000000010000000000000000000000000000000	25-01-150127
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_16947890	477.456	BYUSBNOWKAXCSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150128
COc1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749856,SCHEMBL1372583	477.484	KNWJJZVEFQDTQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150129
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(COC(=O)O)CC1)C	PC-id_140293629	477.488	QNOMMFFFSZYTEX-HXUWFJFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-150130
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-6148879438,EMOLS-id_321808497	477.492	YYDDFWNXIGPGSR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150131
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCC2)c1C#N	MCULE-2918650303,EMOLS-id_321804927	477.492	ZYDCJWWCGDRESE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150132
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321902590,MCULE-3517815762	477.492	DKHHXZDWLPXWIN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150133
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(c2)C(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321902844,MCULE-7462418511	477.492	VVEWYXBPSGCDSJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150134
FC(F)(F)c1ccccc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324831476	477.501	IYPPGSJONRCGHS-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150135
FC(F)(F)c1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324830964	477.501	XPDUXQKVPLKIFT-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150136
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-1222787418	477.501	XPDUXQKVPLKIFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150137
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-2892177631	477.501	IYPPGSJONRCGHS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150138
Cc1c(cc(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1ccccc1)C)F	SCHEMBL20252928,PC-id_134599027	477.503	ZNCWHJJAPYVELF-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-150139
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(OC)cc1)C(=O)OC	PC-id_3309619	477.511	FLHCDBRPRYDTPY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150140
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)ccc1)C(=O)OC	PC-id_5101258	477.511	GZCBUGDYVURHED-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150141
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)cccc1)C(=O)OC	PC-id_3522822	477.511	UFBVWJRGQPQRIP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150142
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)COc1ccccc1)C(=O)OC	PC-id_3588880	477.511	XACPIBDMNDEKLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150143
S1Cc2c(nn(c2NC(=O)c2noc(c2)c2ccccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053750	477.511	DZEWFYYXRXLKAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150144
CN(C(=O)Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C1CCc2n1c(nn2)Cc1ccccc1)C	SCHEMBL4522052,PC-id_69077716	477.512	SZQIAKHTCPWBPW-XJDOXCRVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150145
CN(C(=O)Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCc2n1c(nn2)Cc1ccccc1)C	PC-id_69077715,SCHEMBL4522049	477.512	SZQIAKHTCPWBPW-PMACEKPBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150146
O=C(NC(Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O)C1n2c(nnc2Cc2ccccc2)CC1	PC-id_11698613	477.512	SZQIAKHTCPWBPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150147
CCC(C(=O)Nc1c(C)nn(Cc2c(C)nn(C)c2C)c1C)n1nc(c2CCCc12)C(F)(F)F	TIMTEC188096,EMOLS-id_8867451,PC-id_19590977,MCULE-7577734110	477.526	HDUVSMGAHKLXLU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150148
CCC(C(=O)Nc1c(C)nn(Cc2cn(CC)nc2C)c1C)n1nc(c2CCCc12)C(F)(F)F	TIMTEC120201,PC-id_19591242,MCULE-9706848059,EMOLS-id_8868028	477.526	DFRBFZVXRVTOFK-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150149
CCC(C(=O)Nc1c(C)nn(Cc2cnn(CC)c2C)c1C)n1nc(c2CCCc12)C(F)(F)F	TIMTEC416450,PC-id_19591266,EMOLS-id_8868080,MCULE-9178035394	477.526	QYEIZMHJTLEGPP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150150
CC[C@@H](C(=O)Nc1c(C)nn(Cc2c(C)nn(C)c2C)c1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092479,ZINC22_20607567	477.526	HDUVSMGAHKLXLU-SFHVURJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150151
CC[C@H](C(=O)Nc1c(C)nn(Cc2c(C)nn(C)c2C)c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607568,PC-id_29092480	477.526	HDUVSMGAHKLXLU-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150152
CC[C@@H](C(=O)Nc1c(C)nn(Cc2cn(CC)nc2C)c1C)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092477,ZINC22_20607564	477.526	DFRBFZVXRVTOFK-SFHVURJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150153
CC[C@H](C(=O)Nc1c(C)nn(Cc2cn(CC)nc2C)c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607566,PC-id_29092478	477.526	DFRBFZVXRVTOFK-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150154
CC[C@@H](C(=O)Nc1c(C)nn(Cc2cnn(CC)c2C)c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607569,PC-id_29092481	477.526	QYEIZMHJTLEGPP-SFHVURJKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150155
CC[C@H](C(=O)Nc1c(C)nn(Cc2cnn(CC)c2C)c1C)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607570,PC-id_29092482	477.526	QYEIZMHJTLEGPP-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150156
CCOC(=O)c1c(NC(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)sc2c1CCC2	CoCoCo_2916942,ZINC22_10718889,EMOLS-id_24974894,PC-id_3929313,MCULE-1034491549	477.527	HVGNPDJGDVUYKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150157
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_35686831	477.527	RRSWEZXSUKJUGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150158
CN1CCC(C1)(OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)c1ccccc1	PC-id_66941820,SCHEMBL1206448	477.531	NTBOVWBIHWCSRQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150159
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCC(CC1)F)c1ccccc1	PC-id_11408941,SCHEMBL1377056	477.531	OEROVKRDVFJWBQ-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150160
OCC1CC(C1)(O)CC#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	PC-id_118368887,SCHEMBL18729977	477.531	PYBJJZHNHNRZHR-PDRFFQIWSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150161
OCC1CC(C1)(O)CC#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729979	477.531	PYBJJZHNHNRZHR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150162
OC[C@@H]1C[C@@](C1)(O)CC#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729978	477.531	PYBJJZHNHNRZHR-YHYVQYDKSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150163
c1(NC(=O)c2cc(on2)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1860027590,EMOLS-id_9872602,TIMTEC140687,PC-id_16454847,CoCoCo_2255677,ZINC22_11915156	477.532	FCPYQKFFCSOWJT-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-150164
c1(NC(=O)COc2cccc(c2)NC(=O)c2cc(cc(OC)c2)OC)sc2c(CCC2)c1C#N	EMOLS-id_323178810,MCULE-4196781222	477.532	IMVHCFRPMJACRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150165
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	MCULE-9853414903,EMOLS-id_323208497	477.532	BOJROUWMDHORAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150166
c1(NC(=O)COc2cccc(c2)NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_323188048,MCULE-8998050098	477.532	FAVSKQKNKIKMAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150167
c1(NC(=O)COc2cccc(c2)NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-5695864167,EMOLS-id_323195226	477.532	KZFRHQCZNFDKJB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150168
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NC1CC1c1ccccc1	PC-id_89237877	477.532	RWCLVWCDTLSJIE-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-150169
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)C1CC1c1ccccc1	PC-id_89238670,SCHEMBL14057456	477.532	UCFFEHZRSYIHKZ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-150170
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1CC1c1ccccc1	SCHEMBL14056533	477.532	RWCLVWCDTLSJIE-BPGUCPLFSA-N	00100010100000110000100010000000000000000000000000000000	25-01-150171
n12nc(nc1sc(=Cc1cc(C)c(c(C)c1)OC(=O)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-1385958470	477.532	IQBMKHXSYRVCGT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150172
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC=C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8048338928	477.532	WCPXWCREQRDPPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150173
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(C(=O)N(c2ccccc2)C)cccc1)C(=O)N	PC-id_45650846	477.532	OFSRGFOKCWSKBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150174
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC(=O)c2cc(ccc2)C)cccc1)C(=O)N	PC-id_29925579	477.532	IRXBQTVPSAVHRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150175
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(c2ccccc2)cc1)C(=O)N	PC-id_41577712	477.532	LUAODVIKGDPKDH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-150176
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)N	PC-id_46661310	477.532	QZBXZJQUOUKUDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150177
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)OC	PC-id_19660686	477.532	AOKDFDHYOPUVQQ-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-150178
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)OC	PC-id_73635138	477.532	AOKDFDHYOPUVQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150179
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2ccccc2)ccc1)C(=O)OC	PC-id_19660961	477.532	GKGYJKXCFFNIOK-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-150180
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2ccccc2)ccc1)C(=O)OC	PC-id_73635408	477.532	GKGYJKXCFFNIOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150181
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)OCC)sc2c(CCC2)c1C#N	EMOLS-id_321903355,MCULE-9329907198	477.536	WHKDWFPBNXRSLY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150182
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2OCC)sc2c(CCC2)c1C#N	EMOLS-id_321903356,MCULE-8912373421	477.536	IWXVPGLHLLHFJZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150183
c1(NC(=O)COc2cccnc2NC(=O)Nc2cc(ccc2OC)C)sc2c(CCC2)c1C#N	EMOLS-id_321903358,MCULE-7009696307	477.536	MEILVJPYTVZJIT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150184
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccc(cc2)OC)sc2c(CCC2)c1C#N	MCULE-1507819349,EMOLS-id_321872249	477.536	XECJBWGKXCVLGU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150185
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccccc2OC)sc2c(CCC2)c1C#N	MCULE-2907477667,EMOLS-id_321873273	477.536	ZWLXMFOJQKIUSF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150186
S1Cc2c(nn(c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053885	477.536	XVIFUXSNXNGZGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150187
O=C(c1nn(c(n1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)N)NCc1n[nH]c2c1CCC2	SCHEMBL13100075,PC-id_59531974	477.539	POURMDJDVKGNQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150188
Fc1ccc(c(c1)N)N1CCC(CC1)CNC(=O)[C@@H]([C@H](C(=O)N1Cc2c(C1)nc(s2)C)O)O	PC-id_70329381,SCHEMBL8273783	477.552	JXAMZKNCZNTVEP-WOJBJXKFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150189
s1c2CN(Cc2nc1C)C(=O)C(O)C(O)C(=O)NCC1CCN(CC1)c1c(N)cc(F)cc1	PC-id_77825269	477.552	JXAMZKNCZNTVEP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150190
NC(=O)c1c(NC(=O)COC(=O)CCNC(=O)CCC(=O)c2cccs2)sc2c1CCC2	EMOLS-id_43978576,MCULE-8997461678,ZINC22_16046911,PC-id_47012044	477.554	LHMWHMVHRLDMHX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-150191
S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_3886688	477.554	FFDCZTVTZJIBBU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150192
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_4666669	477.554	FDLQGRKQAUYGHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150193
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OC	PC-id_41364295	477.554	BTQHBEIFBDRCNE-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-150194
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_2096823,EMOLS-id_3257400,CoCoCo_2969440,MCULE-6572079657,ZINC22_2634282	477.555	COWQDHSLNJUHIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150195
O1CCN(CC1)Cc1oc(C(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1	PC-id_10227509	477.555	MESKLDSQEBPVMZ-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-150196
O=CNc1cc(cn(c1=O)C)c1ccnc(c1CO)N(CCn1c(C)cc2c1CC(C2)(C)C)C=O	PC-id_139418458,SCHEMBL21277288	477.555	RHUJGQVPPGCZGF-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-150197
CC(C)C(C(=O)NO)N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N1C=CCN1	PC-id_88239320,SCHEMBL8028127	477.557	UGCBENUQXFXPAC-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-150198
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N1C=CCN1)C(C)C	SCHEMBL8032997	477.557	UGCBENUQXFXPAC-GOSISDBHSA-N	00000011100000110001100010000000000000000000000000000000	25-01-150199
CCN(c1ccc(c(c1)C)N=C1C(=Nn2c1nc(n2)C(C)(C)C)C#N)CCOCCOC(=O)C=C	PC-id_89638238,SCHEMBL15042175	477.559	JSUREHLPHFMKDM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-150200
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccccc2C)sc2c(CCC2)c1C(=O)OC	MCULE-9196089324,PC-id_3604417	477.572	MNQMFLPRKYIXSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150201
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_3278395,MCULE-2758449973	477.572	SAWOKMXVQPJGGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150202
C(=Cc1ccc(OC)c(OC)c1)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-5518527906	477.572	QAQAWNSLHFHCKQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150203
CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)/c2ccccc2)sc2CCCc12	EMOLS-id_327822743	477.572	QAQAWNSLHFHCKQ-HMMYKYKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150204
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCc2ccccc2)cc1)C(=O)OCC	PC-id_1690346	477.572	SAWOKMXVQPJGGT-FYWRMAATSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150205
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCc2c(cccc2)C)cc1)C(=O)OC	PC-id_1663264	477.572	MNQMFLPRKYIXSI-WYMLVPIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-150206
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(S(=O)(=O)c2ccccc2)n2c1CCC2	ZINC22_1592876,PC-id_343563,NSC383344,CoCoCo_5637271,LI_194353	477.574	QSGGTHFADQDASY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150207
c1(c2CCCc2sc1NC(=O)CNC(C)c1ccccc1)C(=O)Nc1ccccc1C(=O)OC	MCULE-2810877214,PC-id_2922837,EMOLS-id_2184940	477.575	LWCYEDGSFOEPEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150208
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCc2ccccc2)cc1	PC-id_17046105	514.431	NZJDGRGLONVKMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157485
c1(NC(=O)c2ccccc2NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5822093984,EMOLS-id_334390801	477.575	BQNIRDLOFGVRKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150209
c1(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4075235707,EMOLS-id_334339241	477.575	MJQHAESCPOSRFG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150210
CCCCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	ZINC22_16742286,EMOLS-id_45965773	477.575	AMZRZBHJPXJMFT-NLSZJBPJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150211
COC(=O)c1ccccc1NC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2)sc2c1CCC2	CoCoCo_866637,ZINC22_16192946,PC-id_1328465	477.575	LWCYEDGSFOEPEM-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150212
COC(=O)c1ccccc1NC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2)sc2c1CCC2	ZINC22_55505522,PC-id_1328466,CoCoCo_866638	477.575	LWCYEDGSFOEPEM-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150213
n12nc(nc1sc(=Cc1ccccc1OCCCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9683459308	477.575	AMZRZBHJPXJMFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150214
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC(C)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-2606454491	477.575	WNILXDPFRITDIR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150215
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-9014393893	477.575	GCJZTPPVCPVITH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150216
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-5365653537	477.575	ONZUWFBYPFWTTB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150217
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)C(=O)OCCCC	PC-id_16947580	477.575	IZZHNXFJDPAKIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150218
s1c2c(CCC2)c(c1NC(=O)CN(c1c(n(CCCC)c(=O)[nH]c1=O)N)CCC)C(=O)OC	PC-id_24616811	477.577	JJRTXBRGIKNXTO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-150219
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCc3s2)cs1	EMOLS-id_323439187,MCULE-8136559425	477.58	FGCICWZFHBSDSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150220
CC(C)(C)c1cc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc(c1O)C(C)(C)C	ZINC22_13768597,STOCK4S-44650,EMOLS-id_206973556	477.594	KTQXXUDQYQJJHE-SYHWEURASA-N	00000000100000110001000010000000000000000000000000000000	25-01-150221
C/N=CC(=C/C)c1cc(cc(=O)[nH]1)c1ccc(c(c1)F)CN1Cc2c(C1=O)sc(c2)C(C)(C)C	SCHEMBL18752763	477.594	SUDDWCZAJGWVLH-SWRPFXENSA-N	00000010100000111000100010000000000000000000000000000000	25-01-150222
n12nc(nc1sc(=Cc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)c2=O)C=Cc1ccc(cc1)F	MCULE-6884305748	477.594	KTQXXUDQYQJJHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150223
CC1(c2c(CN1C(=O)Nc1c(cccc1F)OC)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_134426739,SCHEMBL20060343	477.595	WUWANFILVVNLNA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150224
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCCC)CCO)sc2CCCc2c1C#N	MCULE-1207308939,EMOLS-id_333771603	477.597	KQDSPADPZBQTQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150225
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCOCCO)sc2CCCc2c1C#N	MCULE-4339473515,EMOLS-id_331789755	477.597	FVUHVTZONNLLOQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150226
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCOC)sc2CCCc2c1C#N	MCULE-7043982860,EMOLS-id_331790256	477.597	OWOPKJYWXLGWDV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150227
CC(C)N1CC(C1)C#CC#Cc1cc2c(s1)C(=O)N(C2)CCC(C)(C(=O)NO)S(=O)(=O)C	PC-id_137440923,SCHEMBL20678230	477.597	GSHXOYQKARGDPI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-150228
CCOc1cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC3)cc(OCC)c1OCC	ZINC22_57316323,PC-id_17334218	477.597	WGQRABSFVBKEOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150229
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCC2	ZINC22_13032108,PC-id_4818664,CoCoCo_3374127,EMOLS-id_43859253,MCULE-3552792916	477.597	DUXBYGVIDLEFLL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150230
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)sc2CCCc12	EMOLS-id_22708542,MCULE-5272673310,PC-id_43947622	477.597	QKQUDECELMXPDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150231
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2c1CCC2	CoCoCo_5058636,PC-id_27604204,ZINC22_17247183,GD-id_ZINC17247183	477.597	QKQUDECELMXPDZ-OKILXGFUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150232
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCC2	CoCoCo_5058638,PC-id_27604201,ZINC22_17247174	477.597	QKQUDECELMXPDZ-KBPBESRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150233
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCC2	ZINC22_17247179,PC-id_27604203,CoCoCo_5058637	477.597	QKQUDECELMXPDZ-ZIAGYGMSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150234
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_13137740,CoCoCo_3218649,MCULE-6069719342,PC-id_4798376,EMOLS-id_3438043	477.597	RSDKEKPGKQKCKR-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-150235
O=C(Nc1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCc2s1	MCULE-2189582873,CoCoCo_3349588,BindingDB_PC-id_4087445,BindingDB-id_114229,ChEMBL-DNDi_CHEMBL1420918,ZINC22_9470944,EMOLS-id_3014387,PC-id_4087445,CHEMBL1420918	477.597	BICOMNYLBSABSP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150236
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C(C)C)C	SCHEMBL20678227	477.597	GSHXOYQKARGDPI-JOCHJYFZSA-N	00001010100000000000000010000000000000000000000000000000	25-01-150237
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1c(nc(SC)nc1C)C)C(=O)OCC	PC-id_33987867	477.597	ZAUJIYCQRIGVGS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-150238
S(=O)(=O)(N1CCCC1)c1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_24406407	477.597	XEBNDYOCOJKLGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150239
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_22197154	477.597	XWGXPLLOAQNPSO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150240
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC)cc1	PC-id_43947624	477.597	UBBVKJGRLIIZSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150241
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(CSC)cc2)sc2c(CCC2)c1C#N	MCULE-5632145008,EMOLS-id_323190187	477.598	BVVLELWZXKYOIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150242
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CC=C)sc2CCCc2c1C#N	MCULE-9976936242,EMOLS-id_331792306	477.598	LLBWLOUEUKUSIC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150243
c1(NC(=O)CS(=O)CC(=O)N(c2ccccc2)Cc2ccccc2)sc2c(CCC2)c1C#N	MCULE-4897394341,EMOLS-id_320679021	477.598	FVQHEFSYPDDBBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150244
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCCC	PC-id_44052923	477.6	RNPYKUCNXQFINO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150245
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1ccccc1)C	PC-id_44053371	477.6	YYCPLTFLFFRYBH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150246
c1(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335404,MCULE-7734306295	477.617	BKJHPMHZWPUWSJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-150247
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)sc2c1CCC2	EMOLS-id_43711009,CoCoCo_2883199,MCULE-1637610081,PC-id_24342603,ZINC22_9791333	477.617	LXVHHENJWFBVPZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150248
c1(c2CCCc2sc1N=Cc1ccc(cc1)N(CC)CC)C(=O)Nc1ccc(cc1OC)OC	PC-id_3676719,MCULE-6402543985	477.618	ZXPLPKAZBVCYAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150249
c1(NC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-4545772763,PC-id_18883993	477.618	QREKDDATUPAENK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150250
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OCCCCC)c2ccccc2)n(C)nc2CSCc12	MCULE-3876046108	477.618	IMBCCBLNNRAECP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150251
c1(NC(=O)C(C)Oc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884005,MCULE-5129874094	477.618	NEBCFMDYVZGZCR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150252
c1(NC(=O)C(C)Oc2cc(C)ccc2C(C)C)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884028,MCULE-4703704147	477.618	MBQXJXWERLYBLW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150253
CCCCCOc1ccc(/C=C(/C(=O)Nc2c3CSCc3nn2C)c2ccccc2)cc1OC	EMOLS-id_334563257	477.618	IMBCCBLNNRAECP-RCCKNPSSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150254
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1	EMOLS-id_46388753,PC-id_9630682,TIMTEC607524,CoCoCo_6250545,ZINC22_4108600	477.618	ZXPLPKAZBVCYAM-OGLMXYFKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150255
COc1ccc(c(c1)OC)NC(=O)c1c(/N=Cc2ccc(cc2)N(CC)CC)sc2c1CCC2	CoCoCo_6250546	477.618	ZXPLPKAZBVCYAM-QRQIAZFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150256
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)Cc1ccccc1	PC-id_74748370	477.62	ONWMGRPPRWWMIW-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150257
S(=O)(=O)(N1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)Cc1ccccc1	PC-id_41130541	477.62	ONWMGRPPRWWMIW-HNNXBMFYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150258
S(=O)(=O)(N1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)Cc1ccccc1	PC-id_41130545	477.62	ONWMGRPPRWWMIW-OAHLLOKOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150259
CN1CCN(S(=O)(=O)c2ccc(SCC(=O)Nc3sc4c(c3C#N)CCC4)nc2)CC1	PC-id_16336442,EMOLS-id_11776683,ZINC22_35392881,CoCoCo_4308346,MCULE-9681025675	477.623	RJPQKZJHSMSEAC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-150260
N#Cc1c(NC(=O)CSc2nnc(Cc3cccs3)n2c2ccccc2)sc2c1CCC2	EMOLS-id_11777923,CoCoCo_4307859,ZINC22_9208001,PC-id_16337274,MCULE-4284098656	477.625	JXCSRGLNPYEXRN-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-150261
OC1CCC(CC1)Nc1nc(Nc2nc3c(s2)CCC3)cc(c1)S(=O)(=O)C1CCNCC1	PC-id_118642040	477.643	NTGIFMMKWXBMMD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-150262
O[C@@H]1CC[C@H](CC1)Nc1nc(Nc2nc3c(s2)CCC3)cc(c1)S(=O)(=O)C1CCNCC1	SCHEMBL17413509	477.643	NTGIFMMKWXBMMD-SHTZXODSSA-N	00000010100010101001000010000000000000000000000000000000	25-01-150263
s1c2c(CCC2)c(c1NC(=O)CSc1sc(=S)n(n1)c1ccccc1)C(=O)OCC	PC-id_3886827	477.643	TYRIERAIRLXYBX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150264
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C#N	PC-id_24518576	477.645	CQNILSKFPSMATJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150265
C=CN=C(c1c(C)sc2c1CCC2)c1ccc(c(c1)C)CNC(=O)c1cnc(s1)C(C)(C)C	PC-id_144863016	477.685	CKCGAOLBAKNOLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150266
CC(C(CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140817025	477.715	IEDJAJATFLLRSM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150267
CC([C@@H](CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_141630851	477.715	IEDJAJATFLLRSM-QGZVFWFLSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150268
OCC(C(C(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(C)C	PC-id_140817167	477.715	SREPUARBAAANOB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150269
CCCCCCCCCCCCCCCCCC(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-8566007699,EMOLS-id_327990161	477.743	WJBZEIFHCQXCNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150270
CCOC(=O)c1c(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)sc2c1CCC2	CoCoCo_2860310,ZINC22_2621916,PC-id_2083815,EMOLS-id_3197763,MCULE-3888666196	477.746	FQUWJIXVDCMGFX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150271
Clc1c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(Cl)c(Cl)c1	PC-id_24356662	477.746	VFJHHALAAUCJNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150272
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OC	BAS-00354934,EMOLS-id_639230,TIMTEC388230,PC-id_3101970,MCULE-4010065318	477.789	PSSVXVYSZOGHKE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150273
COC(=O)c1c(N[C@@H](NC(=O)c2ccc(OC)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49062,PC-id_40459368,ZINC22_3212830	477.789	PSSVXVYSZOGHKE-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150274
COC(=O)c1c(N[C@H](NC(=O)c2ccc(OC)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_40459369,CoCoCo_49063,ZINC22_3212831	477.789	PSSVXVYSZOGHKE-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150275
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C#C)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134285234,SCHEMBL19900947,BindingDB-id_799366	477.863	AMRLYSSGANCGGU-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150276
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1c(c(c(cc1)F)Cl)F	SCHEMBL19920739,PC-id_134303019	477.892	PRFGLMUOPLLSIV-ZROIWOOFSA-N	00100010100000110000000010000000000000000000000000000000	25-01-150277
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1cc(c(cc1F)F)Cl	PC-id_134302793,SCHEMBL19920504	477.892	JKUYPRHOIDZEAE-SXGWCWSVSA-N	00100010100000110000000010000000000000000000000000000000	25-01-150278
Clc1c(c2noc(c2C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(F)ccc1	PC-id_24356348	477.893	KYDJCPSLQXXCHL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150279
Brc1c(C(=O)c2n(c3c(OC(=O)C3)c2)C)cc(Br)cc1Br	PC-id_9805061,SCHEMBL7681264	477.93	JCWJCYNEFVHMOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150280
C1Cc2nnc(n2C1C(=O)NCCc1ccccc1F)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134797349	477.94	GGYUMOIAKUZWOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150281
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3F)n2)sc2c(CCC2)c1C(=O)OC	CoCoCo_2237470,TIMTEC309796,EMOLS-id_9859484,ZINC22_8916290,PC-id_16445996,MCULE-2718663224	477.959	MJJRABXYOSZQMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150282
c1(NC(=O)c2c(Cl)cnc(SCc3ccc(cc3)F)n2)sc2c(CCC2)c1C(=O)OC	PC-id_16445587,ZINC22_8915613,TIMTEC81174,CoCoCo_2237387,MCULE-3010985714,EMOLS-id_9858017	477.959	BODFKAOXWUTXPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150283
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CS(=O)(=O)C1)C)C)Cl	PC-id_134598980,SCHEMBL20252880	477.961	XZKIRYOEBNBBNS-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150284
Clc1ccc(C(=O)NC(C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_45646772	477.961	AJWXCXSFVRBRTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150285
Clc1c(C(=O)NC(C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_45700397	477.961	VUYVAZBYIANADU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150286
Clc1c(C(=O)N[C@H](C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	GD-id_ZINC39611767,PC-id_51916457	477.961	VUYVAZBYIANADU-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150287
Clc1c(C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_51580722	477.961	VUYVAZBYIANADU-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150288
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccc(Cl)cc2)sc2c(CCC2)c1C#N	MCULE-6199637135	477.963	JUJRJWDOSBSNFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150289
Clc1ccc(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)cc1	EMOLS-id_323185275	477.963	JUJRJWDOSBSNFT-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150290
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)cc1	PC-id_44053040	477.964	SAEAHMDXOVDYEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150291
Clc1c(S(=O)(=O)Nc2ccc(OCC)cc2)cc(C(=O)Nc2sc3CCCc3n2)cc1	PC-id_33040357	477.984	SGQQDGGHFJZJAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150292
Clc1c(cc(OCc2nc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)n[nH]2)cc1)C	PC-id_2099892	477.987	SYONXMDBUJFHIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150293
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4173818,MCULE-3164106547,ZINC22_9781421,PC-id_16331605,EMOLS-id_11769345	477.987	AMCCMUIURUHQGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150294
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_16351919,CoCoCo_3641190,MCULE-1553011965,EMOLS-id_11796829,ZINC22_9683311	477.987	AJARUGZHRVSZGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150295
Clc1ccc(OCCN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24446443	478.004	NXNBPXUJWRYRFH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150296
Clc1c(C(=O)NCC(C)C)ccc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_52704820	478.004	MJBSJLKSYXZBHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150297
Clc1ccc(OCCN2CC[NH+](CC2)C(C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_85473491	478.027	RTZMUXYQYXLPPO-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150298
Clc1ccc(OCCN2CC[NH+](CC2)[C@@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_30627964	478.027	RTZMUXYQYXLPPO-HNNXBMFYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150299
Clc1ccc(OCCN2CC[NH+](CC2)[C@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_30627971	478.027	RTZMUXYQYXLPPO-OAHLLOKOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150300
Clc1c(OCCN2CC[NH+](CC2)C(C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_85473829	478.027	QEJHSAQLWOIGSE-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150301
Clc1c(OCCN2CC[NH+](CC2)[C@@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_30634397	478.027	QEJHSAQLWOIGSE-HNNXBMFYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150302
Clc1c(OCCN2CC[NH+](CC2)[C@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_30634402	478.027	QEJHSAQLWOIGSE-OAHLLOKOSA-O	00000010100010110001000010000000000000000000000000000000	25-01-150303
CN(CCN(S(=O)(=O)c1cc(Cl)nc(c1)Nc1sc2c(n1)CCC2)c1ccccc1)C	PC-id_118642088,SCHEMBL17413564	478.031	WURCFCLHMOMRFT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150304
Clc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_140883037	478.035	GVTMXRIXLOOLFY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150305
Fc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Cl	PC-id_140882930	478.035	QBCUGHNUQHRSST-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150306
Fc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)Cl	PC-id_145210906	478.035	BZHIQQRRUKFAGL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150307
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(F)cccc1Cl	PC-id_140882928	478.035	WFQUZSIDLKBUAO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150308
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278646	478.049	CSHIYCOIDLWRHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150309
Cc1c(c(ccc1)Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_134426928,SCHEMBL20060560	478.05	LJIOEPCQZLLVIF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150310
Cc1cc(c(cc1)Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195480,SCHEMBL20348612	478.05	LMKOOPNHZNZJKQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150311
Cc1c(cc(cc1)Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL20348507,PC-id_135195382	478.05	SXSMAJLBYOSBNI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150312
CC1=C(N2CCCC2=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C(=O)C(=O)NC4(COC4)C(F)(F)F	PC-id_155038155	478.126	HFAGZQONQLHYCJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150313
CN(CC1=NNC2=C1CCC2)C(=O)C3=CC=C(C=C3)C[C@@H]4CC[C@@H](C4)[C@@H](C5=CN=C(C=C5)Cl)O	PC-id_160040559	478.214	OMZWTVCXCKLKLN-GCOVDLRRSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150314
CCCCCCC1(CCCCCC)C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_90363218,SCHEMBL15979459	478.282	ZKWPQMJNBBIZIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150315
Brc1c2n(CCC2(C(=O)O)C(=O)O)c(c1CC)C(=O)c1cc(ccc1)C(=O)OCC	PC-id_20405020,SCHEMBL11005131	478.29	APEODPGFZJNNLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150316
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)(C)O)C	PC-id_150934420	478.294	LGSGDMRYKAMNPV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150317
CCC1=CC(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5C[C@H](O[C@H](C5)C)C	PC-id_150102414	478.294	DVNLNKTURMEWDJ-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150318
CCC1=CC=CC=C1C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5C[C@H](O[C@H](C5)C)C	PC-id_151823474	478.294	SDCOBENOGNAVMV-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150319
CCC1=CC=C(C=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5C[C@H](O[C@H](C5)C)C	PC-id_152373290	478.294	XDVRPRFXAVDTCK-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150320
CC[C@H]1CN(C[C@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)(C)C5=CC=CC=C5	PC-id_153575443	478.294	HKJIAOVQVDKQHQ-IRLDBZIGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150321
C[C@@H]1CN(CC[C@H]1O)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC(=C5C)C	PC-id_150057730	478.294	DMQOHZFJIHHEPP-KBMIEXCESA-N	00000010100010110001100010000000000000000000000000000000	25-01-150322
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)C)C	PC-id_150070101	478.294	DPCAXAMZBGBPFD-OYRHEFFESA-N	00000010100010110001100010000000000000000000000000000000	25-01-150323
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC(=C5C)C	PC-id_150923554	478.294	LENRZWBCSJOGIU-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150324
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)C)C	PC-id_151707611	478.294	RFXBHERXXVQLGH-OYRHEFFESA-N	00000010100010110001100010000000000000000000000000000000	25-01-150325
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC(=C5)C)C	PC-id_152244895	478.294	WECJJPFWWUCUCK-OYRHEFFESA-N	00000010100010110001100010000000000000000000000000000000	25-01-150326
CC(Oc1cc(/C=c/2sc3nccn3c2=O)c(Br)c(F)c1O)c1cnc(N)nc1	PC-id_140897162,CHEMBL4542967	478.295	HWOHITMJQVEGRI-XGICHPGQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150327
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(Cl)c(Cl)c2)sc2CCCc2c1C#N	MCULE-8781196474,EMOLS-id_333679348	478.309	RQDIEHKQWJSGJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150328
c1(NC(=O)COc2nonc2C(=O)Nc2cc(Cl)cc(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333678325,MCULE-8674098523	478.309	ZBZFEMRZFVHZOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150329
CCOc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)ccc1OC	EMOLS-id_324849398	478.348	AYPJVGUACOBNTJ-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150330
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)ccc1O	EMOLS-id_324911113	478.348	YVMSCTFHRXXBEK-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150331
CCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1OC	EMOLS-id_324847863	478.348	LWWBIDOLRYOJFH-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150332
CCOc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)c1O	EMOLS-id_324914187	478.348	MELKDBNQAPVFKL-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150333
COc1cc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)ccc1O	EMOLS-id_324915201	478.348	WPWKRVDBNHEEQW-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150334
COc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1OC	EMOLS-id_324913672	478.348	VVFSLZOSEUSBPL-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150335
COc1cccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)c1OC	EMOLS-id_324912140	478.348	DBOIMRZCGATNGK-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150336
COc1ccc(OC)c(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)c1	EMOLS-id_324912652	478.348	DTGXEFBAXZAIAQ-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150337
n12c(=O)c(=Cc3cc(ccc3OC)OC)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-2656447828	478.348	DTGXEFBAXZAIAQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150338
n12c(=O)c(=Cc3cccc(OC)c3OC)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-9899635144	478.348	DBOIMRZCGATNGK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150339
n12c(=O)c(=Cc3cccc(OCC)c3O)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-8552211700	478.348	MELKDBNQAPVFKL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150340
n12c(=O)c(=Cc3ccc(OC)c(OC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5600723739	478.348	VVFSLZOSEUSBPL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150341
n12c(=O)c(=Cc3ccc(O)c(OCC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5777503857	478.348	YVMSCTFHRXXBEK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150342
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-1240931365	478.348	LWWBIDOLRYOJFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150343
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-3378342026	478.348	AYPJVGUACOBNTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150344
n12nc(nc1sc(=Cc1ccc(O)c(OC)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6240249665	478.348	WPWKRVDBNHEEQW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150345
Brc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL17080625,PC-id_118368893	478.358	CENBRTJCUSOOPP-FBMWCMRBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150346
Brc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18729897	478.358	CENBRTJCUSOOPP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150347
Brc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO[C@H]1CCCCO1)C	SCHEMBL17080627,PC-id_118368895	478.358	CENBRTJCUSOOPP-WMLDXEAASA-N	00000010100010000001000010000000000000000000000000000000	25-01-150348
Brc1ccc(/C(=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)/C)cc1	PC-id_19659031	478.359	JUROEGWTDQJZNF-FOKLQQMPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150349
Brc1ccc(C(=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cc1	PC-id_73633528	478.359	JUROEGWTDQJZNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150350
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)nc12	PC-id_51896343,ZINC22_38671837	478.359	QWPSFSYAVMXHHL-BXUZGUMPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150351
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)nc12	PC-id_51896345,ZINC22_38671844	478.359	QWPSFSYAVMXHHL-SMDDNHRTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150352
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)nc12	ZINC22_38671841,PC-id_51896344	478.359	QWPSFSYAVMXHHL-RISCZKNCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150353
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)nc12	ZINC22_38671847,PC-id_51896346	478.359	QWPSFSYAVMXHHL-FZMZJTMJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150354
c12c(CCC1C(=O)OCC)sc(NC(=O)C1CC(=O)N(c3cccc(Br)c3)C1)n2	PC-id_45504082,EMOLS-id_30149351,MCULE-3975484438	478.36	QWPSFSYAVMXHHL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150355
Cc1csc2nc(C)c(/C=c/3sc4nc(COc5ccc(Cl)cc5Cl)nn4c3=O)n12	EMOLS-id_324846836	478.375	DFHLWWOTHQKVET-UUASQNMZSA-N	00000000100000110001000110000000000000000000000000000000	25-01-150356
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)COc1ccc(cc1Cl)Cl	MCULE-9248580495	478.375	DFHLWWOTHQKVET-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-150357
Brc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3sc4CCCc4n3)ccc2)cc1	PC-id_33040761	478.383	BFQWRKLSZAGCKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150358
NC(=O)c1c(NC(=O)CSc2nc(c3ccccc3Br)n[nH]2)sc2c1CCC2	CoCoCo_3133589,CoCoCo_3133587,PC-id_2580188,CoCoCo_3133588,EMOLS-id_3321494,ZINC22_3459854,CoCoCo_3133586,MCULE-7348550907	478.386	CYPBMZRSXQDRBJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150359
NC(=O)c1c(NC(=O)CSc2nnc(c3ccc(Br)cc3)[nH]2)sc2c1CCC2	PC-id_16387146,CoCoCo_3147067,MCULE-3089673633,ZINC22_9337172,EMOLS-id_11858874,CoCoCo_3147066,CoCoCo_3147064,CoCoCo_3147065	478.386	YQGGUVVPBYHKJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150360
Clc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1Cl	EMOLS-id_324831989	478.393	MTVLKLXOSNNXQO-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150361
Clc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c(Cl)c1	EMOLS-id_324829941	478.393	VUQUKVSSRJYQQW-XKZIYDEJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150362
Clc1cccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)c1Cl	EMOLS-id_324830966	478.393	YAGUFNBTQGTXNX-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-150363
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3558764566	478.393	VUQUKVSSRJYQQW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150364
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-4986463818	478.393	MTVLKLXOSNNXQO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150365
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-5847413324	478.393	YAGUFNBTQGTXNX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150366
Brc1ccc(NC(=O)c2c(NC(=O)CCN3CCOCC3)sc3CCCc23)cc1	CoCoCo_6724256,PC-id_3587002,TIMTEC522698,ZINC22_22635498,EMOLS-id_2785826,MCULE-9312930546	478.403	WGSDOQWLBFVQMR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150367
Brc1ccc(NC(=O)c2c(NC(=O)CNCC3CCCO3)sc3CCCc23)cc1	PC-id_2922857,MCULE-4862981736,EMOLS-id_2184970	478.403	YOQDVKFLZDTSIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150368
c1(c2CCCc2sc1NC(=O)CN(C(C)C)C(=O)C)C(=O)Nc1ccc(cc1)Br	SPECS-id_AP-064/41763651,MCULE-1039142413,CoCoCo_6968360,PC-id_991473,EMOLS-id_22050179,ZINC22_644221	478.403	WLEBYNFDFOIYLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150369
O=C(CNC[C@@H]1CCCO1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2	CoCoCo_866691,PC-id_6554956,ZINC22_16192951	478.403	YOQDVKFLZDTSIS-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150370
O=C(CNC[C@H]1CCCO1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2	CoCoCo_866692,PC-id_1328475,ZINC22_1159604	478.403	YOQDVKFLZDTSIS-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150371
Brc1ccc(cc1)c1csc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)n1	MCULE-2979461678,EMOLS-id_328222075	478.404	MRARBVJNNAYCBQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150372
Brc1ccc(N2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)nc1	PC-id_55682218	478.406	QZDOAHCSDJOVOE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-150373
CSc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324916227	478.415	JWLLSLGPTGTVBS-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150374
n12nc(nc1sc(=Cc1ccc(cc1)SC)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-7976865717	478.415	JWLLSLGPTGTVBS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150375
Cl.S1(=O)(=O)N(C(=O)c2c1csc2)CCCCN1CCN(c2c(nccn2)Cl)CC1	CHEMBL544194	478.416	VDRONAFNQSDFGU-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-150376
Cl.S1(=O)(=O)N(C(=O)c2c1csc2)CCCCN1CCN(c2nc(Cl)cnc2)CC1	CHEMBL553308	478.416	OXQTYGIYYFUHMN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-150377
Brc1cc(c(OCC(C)C)cc1)C(=O)NC(=S)Nc1sc2CCCc2c1C#N	PC-id_17051271	478.426	OJMVGBNICCJGOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150378
Brc1cc(c(OCCCC)cc1)C(=O)NC(=S)Nc1sc2CCCc2c1C#N	PC-id_17350537	478.426	GCHKNWAUKQLSOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150379
Brc1c(OCC(C)C)ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	PC-id_17352347	478.426	CBSJZIHAOKBYQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150380
Brc1c(OCCCC)ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	PC-id_4956167	478.426	IYCPVBYBOBHCMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150381
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1oc(c2cc(ccc2)C(F)(F)F)cc1)C(=O)N	PC-id_24339407	478.441	AZLFLUPSYGRNEX-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-150382
c1(NC(=O)c2ccc(cc2)C(F)(F)F)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	CoCoCo_5277797,EMOLS-id_24913593,ZINC22_23139595,MCULE-4546476474,PC-id_30862815	478.463	YJDCZJLVRPMGSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150383
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(F)(F)F)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053622	478.463	ZVDZWXXCLVAMRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150384
S1Cc2c(nn(c2NC(=O)c2cc(ccc2)C(F)(F)F)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053623	478.463	INKQSLWKXKCJKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150385
CNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C(F)F)n2CCCc12	PC-id_134285206,BindingDB-id_799416,SCHEMBL19900917	478.464	ISBDYYOLPRINPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150386
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1)C(=O)OCC	PC-id_45637199	478.472	YKRRXQUDZSIHTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150387
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2)C(=O)O)sc2c(CCC2)c1C#N	MCULE-2675314190,EMOLS-id_321773053	478.477	FOKOJQRYUBVOFM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150388
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321902846,MCULE-1612259743	478.481	XVHCFLPANBFDPK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150389
c1(NC(=O)CSc2nc(c3ccc(cc3)F)cc(n2)C(F)(F)F)sc2c(CCC2)c1C#N	CoCoCo_271586,TIMTEC497324,MCULE-1528452055,ZINC22_890901,PC-id_1146225,EMOLS-id_1410106	478.486	VELKINVPWCLVLN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150390
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)F)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_4731625,MCULE-5079906194,PC-id_16453725,TIMTEC45836,CoCoCo_2236401,ZINC22_11914121,STOCK6S-04680	478.495	AKEFYKBVFNXWCA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-150391
s1c2CCC(O)c2cc1C(=O)Nc1cc(ccc1F)C1=C/C(=N/c2nn(c(c2)C)C)/C(=O)N=N1	PC-id_76817870	478.499	QLRMSPJWZFUSBV-UQQQWYQISA-N	00000010100011110001100010000000000000000000000000000000	25-01-150392
CC1CCC(CC1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	PC-id_145296850	478.507	KBBPTFDBVZKXQA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150393
NC(=O)c1c(NC(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)sc2c1CCC2	ZINC22_2652392,MCULE-1150284024,CoCoCo_2991642,EMOLS-id_43747963,PC-id_2115735	478.517	OOWADTDKXWMPFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150394
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(c2ccc(OC(=O)C)cc2)cc1)C(=O)N	PC-id_45693189	478.517	LUSWHFCPKMIPSW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-150395
c1(NC(=O)COc2cccnc2NC(=O)c2cc(cc(OC)c2)OC)sc2c(CCC2)c1C#N	EMOLS-id_321804923,MCULE-8835667763	478.52	SOWTVSMPZHJBNP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150396
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	MCULE-7967194385,EMOLS-id_321805947	478.52	LIPDCQLSCSVYKV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150397
c1(NC(=O)COc2cccnc2NC(=O)COc2ccccc2OC)sc2c(CCC2)c1C#N	MCULE-4024030037,EMOLS-id_321803901	478.52	APPCUEHHEUDGBL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150398
c1(NC(=O)COc2cccnc2NC(=O)COc2cccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-1525191748,EMOLS-id_321804413	478.52	NJWNDCDMVJPTOK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150399
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccccc2OCC)sc2c(CCC2)c1C#N	EMOLS-id_321769981,MCULE-7460182652	478.52	ZOYRPISDOKHCQT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150400
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(OCC)cc2)sc2c(CCC2)c1C#N	MCULE-6116849482,EMOLS-id_321770237	478.52	MHKGDNXLUBOIBF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150401
c1(NC(=O)COc2cccnc2NC(=O)OCCOc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_321795366,MCULE-4159950576	478.52	WJVDVBCJUGWOMU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150402
O=C(C1=CS[C@@H]2N1C(=O)C2)OC(c1nc2n(c1)CCS2)OC(=O)C1=CS[C@@H]2N1C(=O)C2	PC-id_67570455,SCHEMBL8384162	478.522	HBZQXRSYCDGEEP-KBPBESRZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-150403
S1C2N(C(=O)C2)C(=C1)C(=O)OC(OC(=O)C1=CSC2N1C(=O)C2)c1nc2SCCn2c1	PC-id_77316139	478.522	HBZQXRSYCDGEEP-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-150404
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2ccccc2)sc2CCCc2c1C#N	MCULE-8483425631,EMOLS-id_333662665	478.524	POCSJBBGHUVAPG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150405
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)N2CCCC2)sc2CCCc2c1C#N	MCULE-8460851477,EMOLS-id_333679607	478.524	DNXMCUWRLWQALZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150406
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CCN(CC1)C)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484849,PC-id_135315383	478.537	PCXCOBZRMAAZHO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150407
CN1CCC(F)(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)CC1	SCHEMBL20484846,CHEMBL4519410	478.537	PCXCOBZRMAAZHO-OAQYLSRUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150408
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CC=C)sc2CCCc2c1C#N	EMOLS-id_332716352,MCULE-5170242243	478.539	IMIFXEONBMOJOJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150409
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332714049,MCULE-3514472291	478.539	BXWCPFGFIJJHHI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150410
COC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)sc2c1CCC2	CoCoCo_3104296,PC-id_2413630	478.539	MCJDXCUYCYOMFN-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150411
COC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_3104297	478.539	MCJDXCUYCYOMFN-KHPPLWFESA-N	00000010100000110000000010000000000000000000000000000000	25-01-150412
COC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)C=Cc2ccccc2)sc2c1CCC2	PC-id_3948975,MCULE-3548978263	478.539	MCJDXCUYCYOMFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150413
O=CN(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)C)C(=O)c1ccc(cc1)C)c1ccc(cc1)C	PC-id_141257330	478.542	MRWIOENJVBHNFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150414
O=C(OC1CCn2c1ncc2)NCCCc1cccc(c1)CCNC(=O)OC1CCn2c1ncc2	PC-id_141667881	478.543	BDETYOCTVHLFHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150415
O=C(OC1CCn2c1ncc2)NCCCc1cccc(c1)CCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220272	478.543	BDETYOCTVHLFHM-BPGUCPLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150416
O=C(O[C@@H]1CCn2c1ncc2)NCCCc1cccc(c1)CCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19223414	478.543	BDETYOCTVHLFHM-NHCUHLMSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150417
C[C@H]1CN(Cc2cocn2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	SCHEMBL597678,PC-id_66738980,BindingDB_PC-id_66738980	478.547	FJUWHXUMCJLAGB-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-150418
O=C(c1cc(ccc1N1CCC(CC1)(F)F)S(=O)(=O)C)N1Cc2c(C1)cn(n2)CC1CCC1	SCHEMBL17213842,PC-id_118478998	478.555	ZBDQPMJZLZZXAH-UHFFFAOYSA-N	00001010100010110001100010000000000000000000000000000000	25-01-150419
c1(C(=O)N2CCC(CC2)C(Cc2ccccc2F)N(C)C(=O)c2ccoc2C)c2CCCc2[nH]n1	PC-id_45223026,EMOLS-id_20627229,MCULE-9681675517	478.558	XGFJWVVJYSTIBK-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-150420
Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	CoCoCo_1459032,ZINC22_12151215,CoCoCo_1459034	478.558	XGFJWVVJYSTIBK-XMMPIXPASA-N	00000010101010110001000010000000000000000000000000000000	25-01-150421
Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_12151214,CoCoCo_1459035,CoCoCo_1459033	478.558	XGFJWVVJYSTIBK-DEOSSOPVSA-N	00000010101010110001000010000000000000000000000000000000	25-01-150422
c1(c2CCCc2sc1N=Cc1cc(OC)ccc1OC)C(=O)Nc1ccc(cc1)C(=O)OCC	MCULE-3856936716,PC-id_5170909	478.56	ZMTARCBQLXUHRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150423
c1(NC(=O)c2ccc(cc2)OC(=O)OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2075522942,EMOLS-id_334330274	478.56	XYCMVWJFHIIUBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150424
CCOC(=O)c1ccc(cc1)NC(=O)c1c(/N=Cc2cc(OC)ccc2OC)sc2c1CCC2	CoCoCo_6728489	478.56	ZMTARCBQLXUHRP-DICXZTSXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150425
CCOC(=O)c1ccc(NC(=O)c2c3CCCc3sc2/N=C/c2cc(OC)ccc2OC)cc1	TIMTEC598026,EMOLS-id_46413513,CoCoCo_6728488,ZINC22_15945629,PC-id_9610534	478.56	ZMTARCBQLXUHRP-JFLMPSFJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150426
s1c2c(CCC2)c(c1NC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)Nc1ccc(OC)cc1	PC-id_4024426	478.56	XALDWRGUPGLEJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150427
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)Nc1ccc(OC)cc1	PC-id_5990173	478.56	XALDWRGUPGLEJY-RIYZIHGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150428
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)Cc1ccc(cc1)F)C	PC-id_58015663,SCHEMBL1206407	478.562	COTVOWXUNUZQIS-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150429
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)C)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_4729220,MCULE-7668216856,STOCK6S-03219,PC-id_16453066,TIMTEC378571	478.563	PHXYQBHXDORZIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150430
c1(NC(=O)c2c(=O)ccn(c3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3742502048,EMOLS-id_4727987,STOCK6S-02462,PC-id_16447121,TIMTEC486296	478.563	USASOXQZUKQIDO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150431
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331924255,MCULE-4559848504	478.563	WZWDBCAILDWBMP-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-150432
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332714567,MCULE-2737724253	478.563	CANXIBBXRNYSHY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150433
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCO)sc2CCCc2c1C#N	EMOLS-id_332715850,MCULE-6236448533	478.563	OAIXDZSOCXKXHS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150434
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCO)sc2CCCc2c1C#N	EMOLS-id_332717391,MCULE-8042856532	478.563	MBBZGULYYMXSJC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150435
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCO)sc2CCCc2c1C#N	MCULE-8334156836,EMOLS-id_332717645	478.563	CEYCSRJRJSFKBR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150436
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCOC)sc2CCCc2c1C#N	MCULE-4645250551,EMOLS-id_332712523	478.563	FHIDYTFUCAEVTM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150437
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CC)sc2CCCc2c1C#N	EMOLS-id_332714308,MCULE-9296636110	478.563	LDVWGTKEZPQCPC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150438
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCO)sc2CCCc2c1C#N	EMOLS-id_332715599,MCULE-3123473396	478.563	LWCFTMNSCCVBRB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150439
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332717892,MCULE-7163428039	478.563	YRPQNKDOLSWANL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150440
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331935249,MCULE-2289381161	478.563	GCCDNZVEGPNQGQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150441
Cc1cccc(n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)n2)c1	CoCoCo_6264108,PC-id_40872179,ZINC22_8917577	478.563	USASOXQZUKQIDO-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150442
Cc1cccc(n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)n2)c1	PC-id_40872180,CoCoCo_6264109,ZINC22_8917578	478.563	USASOXQZUKQIDO-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150443
Cc1ccc(n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)n2)cc1	CoCoCo_6285811,PC-id_42414842,ZINC22_12111428	478.563	PHXYQBHXDORZIW-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150444
Cc1ccc(n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)n2)cc1	CoCoCo_6285812,PC-id_40944402,ZINC22_9129888	478.563	PHXYQBHXDORZIW-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150445
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324846845	478.563	OWKRGDPOFJCVDC-PGMHBOJBSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150446
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)cc1	EMOLS-id_324869125	478.563	RTWBKWBPKPDNPP-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-150447
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)CCOc1ccccc1	MCULE-6589663835	478.563	OWKRGDPOFJCVDC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150448
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1ccc(C)cc1	MCULE-8010210020	478.563	RTWBKWBPKPDNPP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150449
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C=CC2=O)CC)C1)C(=O)NCc1occc1	PC-id_73537711	478.563	GZWBWPJAGHMEIY-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-150450
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=CC(=CC2=O)C)C)C1)C(=O)NCc1occc1	PC-id_78404950	478.563	BFRIEKAUMMHLEC-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-150451
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC(=C2)C)C)C1)C(=O)NCc1occc1	PC-id_73175778	478.563	GKQQWJYXEZWIDF-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-150452
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=C(C=C2)C)C)C1)C(=O)NCc1occc1	PC-id_78404916	478.563	PMVKCUGIKFRXJW-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-150453
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)/C=C/c1c(n(nc1C)c1ccccc1)C)C)C(=O)N	PC-id_24497753	478.563	SQCXBKRFJZCNJL-OUKQBFOZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150454
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C=Cc1c(n(nc1C)c1ccccc1)C)C)C(=O)N	PC-id_74287685	478.563	SQCXBKRFJZCNJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150455
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053429	478.563	QZDVRVUNDVHNEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150456
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2occc2)nn1)C(=O)OCC	PC-id_24076737	478.565	ZVSYFHNUICRREF-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-150457
C=C(NC1=NCC(=C1)C(C)(C)C)Nc1ccc(cc1)NC(=C)C1=Cc2c(C1)n(C)nc2C(F)(F)C	PC-id_143052622	478.58	RVPRBNZAAWCSKN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-150458
CC1OC(C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)COC(=O)c1sc2c(c1)CCC2	MCULE-8921058788,PC-id_45837747,EMOLS-id_43696708	478.582	BDBPCMPONXWDQM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150459
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COC(=O)c3cc4c(s3)CCC4)cc2)C[C@@H](C)O1	PC-id_51451955,CoCoCo_2840748,ZINC22_9069487	478.582	BDBPCMPONXWDQM-GASCZTMLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150460
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COC(=O)c3cc4c(s3)CCC4)cc2)C[C@H](C)O1	ZINC22_9069495,PC-id_51451957,CoCoCo_2840750	478.582	BDBPCMPONXWDQM-GJZGRUSLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150461
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COC(=O)c3cc4c(s3)CCC4)cc2)C[C@@H](C)O1	ZINC22_9069502,CoCoCo_2840749,PC-id_51451958	478.582	BDBPCMPONXWDQM-HUUCEWRRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150462
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1Cc2c(C1=O)scc2NC(=O)C1CC1)OC	PC-id_137355444,SCHEMBL20579903	478.582	VLSCMFCGBPUGDO-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-150463
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1Cc2c(C1=O)scc2NC(=O)C1CC1)OC	PC-id_137355443,SCHEMBL20579902	478.582	VLSCMFCGBPUGDO-QGZVFWFLSA-N	00100010100000110000000010000000000000000000000000000000	25-01-150464
CCOC(=O)c1c(NCC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)sc2c1CCC2	PC-id_110829505	478.582	GOLQEDJGEWIBHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150465
CCOC(=O)c1c(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)sc2CCCc12	ZINC22_1062067,MCULE-7199668633,CoCoCo_553620,ChEMBL-DNDi_CHEMBL7960922,EMOLS-id_2010308,PC-id_1251982	478.582	QGUILUBMYRTGNX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150466
s1c2c(CCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)NC(=O)OCC	PC-id_16838068	478.582	CYTSUYIGZPZJQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150467
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_41273614	478.582	SOGDRXDLUVQUIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150468
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_41612457	478.582	WUBFVKUOVBACDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150469
s1c2CCC(C(=O)N3CCN(CC3)CCc3ccccc3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947320	478.582	JIRIGPPNBVZMDB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150470
s1c2CCC(C(=O)NC3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947323	478.582	NIOFHTRGBNLZID-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150471
S(=O)(=O)(c1ccc(cc1)C(=O)CNc1sc2c(CCC2)c1C(=O)OCC)N1CCOCC1	PC-id_110828408,MCULE-4977021779	478.582	VXPFLPBHQGBMOJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150472
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(OC)cc1	PC-id_16923960	478.582	ATATUPRTXOVFFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150473
S(=O)(=O)(N1CCCCC1)c1cc(NC(=O)COC(=O)c2sc3CCCc3c2)c(OC)cc1	PC-id_16505614	478.582	QELWJLABOPFYSU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150474
S(=O)(=O)(N1CCCCC1)c1c(OC)ccc(NC(=O)COC(=O)c2sc3CCCc3c2)c1	PC-id_4306328	478.582	MJKSDGRJGMAMHO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150475
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_16831875	478.582	ANXMFCXBFKSGOK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150476
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_16862900	478.582	JAJVGBHAFDMVLO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150477
S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_23850802	478.582	MDYHIIGWFDOENC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150478
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_16833651	478.582	GRAOPPRVLNVDQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150479
c1(NC(=S)NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_4976783,EMOLS-id_5431822,ZINC22_9368815,MCULE-1530493299,PC-id_4150620	478.583	LTRVXAZNLYUQGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150480
CCOC(=O)c1c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)sc2c1CCC2	MCULE-3705319003,ZINC22_13147722,PC-id_4014463,EMOLS-id_43745905,CoCoCo_2987100	478.583	VKEQZMHXUFDYEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150481
s1c2c(CCC2)c(c1NC(=O)C[NH2+]C(c1ccccc1)C)C(=O)Nc1c(cccc1)C(=O)OC	PC-id_74689634	478.583	LWCYEDGSFOEPEM-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-150482
s1c2c(CCC2)c(c1NC(=O)C[NH2+][C@H](c1ccccc1)C)C(=O)Nc1c(cccc1)C(=O)OC	PC-id_40490407	478.583	LWCYEDGSFOEPEM-INIZCTEOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-150483
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(cc2)CSC)sc2c(CCC2)c1C#N	EMOLS-id_321806961,MCULE-2408251023	478.586	CKOHECLDPQWQJJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150484
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CC=C)sc2CCCc2c1C#N	MCULE-8739002643,EMOLS-id_331790771	478.586	FRKALFSFRGYDSM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150485
c1(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)Nc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_320723542,MCULE-7610005227	478.586	MMDOYUVFAUOPFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150486
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1sccn1	EMOLS-id_328217982,MCULE-7859190351	478.586	RTQDDPUAEGIJTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150487
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)CC1(CC=C(C=C1)c1ccccc1)N(C)C	PC-id_89437211,SCHEMBL14774981	478.587	FJWJCFATRAHEDJ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-150488
CN1CCN(CC1)C1=CC=C(CC1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)C(C1=CCCC=C1)OC	PC-id_89468734	478.587	ZPYWTSJJWZLHHJ-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-150489
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)C1=CC=C(CC1)N1CCN(CC1)C)C1=CCCC=C1	SCHEMBL14818479	478.587	ZPYWTSJJWZLHHJ-HSZRJFAPSA-N	00000010100011000001100010000000000000000000000000000000	25-01-150490
N#CCCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL597430,BindingDB_PC-id_59508284,PC-id_59508284	478.59	QKSDYJUVUCMTGI-MSOLQXFVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-150491
s1cc2CC(Cc2c1)(CC(=O)c1cc(OCCc2cc(ccc2)C)c(OC)cc1)C(=O)OCC	PC-id_58318426	478.6	KSLWKSJYLUAHQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150492
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329769,MCULE-1551840380	478.603	AMGQHCYQWUNZAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150493
CCN(CCC(N1C(=O)c2c(C1=O)csc2)c1ccc(c(c1)OC)OCc1ccccc1)CC	SCHEMBL3000886,PC-id_68472484	478.603	UGMXBGLZPPHGEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150494
CN(C(C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2)Cc1ccc(cc1)F)Cc1cn(nc1C)C	ChEMBL-DNDi_CHEMBL57190080,PC-id_56857039	478.605	FVDQGZZUITWKCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150495
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCCCC	PC-id_74860839	478.605	GBJONDRZRHBKRI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150496
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCC(C)C	PC-id_78367363	478.605	UTKXRCPRXBWYMU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150497
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(cc(N(CC)CC)cc1)C	PC-id_16947924	478.606	WWYZBDAWOCBAPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150498
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)c1ccc(C(C)(C)C)cc1	PC-id_44053528	478.606	HWXIQWGDPODVCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150499
S1Cc2c(nn(c2NC(=O)c2ccc(OCCCC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053824	478.606	KGACWMDWIULSOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150500
S1Cc2c(nn(c2NC(=O)COc2ccc(C(C)C)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053774	478.606	CYVXFYWMUTUHED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150501
CCC1N(Cc2c1[nH]nc2NC(=O)c1cccs1)C(=O)N1CCN(CC1Cc1ccccc1)C	PC-id_145493486	478.61	AJTRUSQZIXAPGO-UHFFFAOYSA-N	00000010100110110001000010000000000000000000000000000000	25-01-150502
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1cccs1	SCHEMBL3485966,PC-id_24946780	478.61	YYWDLHVUZUVWOZ-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-150503
CN1CCN(C(C1)Cc1ccccc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccs1	SCHEMBL597990,PC-id_66739061	478.61	CNROJLFRMNRYRC-UHFFFAOYSA-N	00000010100110110001000010000000000000000000000000000000	25-01-150504
CN1CCN([C@H](C1)Cc1ccccc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccs1	BindingDB_PC-id_59508146,SCHEMBL597989,PC-id_59508146	478.61	CNROJLFRMNRYRC-SFHVURJKSA-N	00000010100110110001000010000000000000000000000000000000	25-01-150505
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCC)CCC)sc2c(CCC2)c1C(=O)OCC	ZINC22_783543,MCULE-1903564330,STOCK2S-76270,EMOLS-id_1259398,TIMTEC223656,BAS-00670263,PC-id_1075176,CoCoCo_115073	478.625	IRGDYJFSDABSGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150506
CN(CC1CCn2c1ccc2C(=O)c1ccccc1)CC[C@@H](c1ccccc1)Oc1ccc(cc1)C	SCHEMBL12457092,PC-id_68271174	478.625	VVCGVZAERFGOHQ-BDTAHNRFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150507
O(C(CCN(CC1CCn2c1ccc2C(=O)c1ccccc1)C)c1ccccc1)c1ccc(cc1)C	PC-id_77447427	478.625	VVCGVZAERFGOHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150508
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)CC)cc1)C(=O)OCC	PC-id_24048949	478.625	AEESDOMQRXKZBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150509
OC1CCC(CC1)Nc1nc(Nc2nc3c(s2)CCC3)cc(c1)S(=O)(=O)C1CCOCC1	PC-id_118642008	478.628	RGOXBMRUTKRBPL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-150510
O[C@@H]1CC[C@H](CC1)Nc1nc(Nc2nc3c(s2)CCC3)cc(c1)S(=O)(=O)C1CCOCC1	SCHEMBL17413471	478.628	RGOXBMRUTKRBPL-SHTZXODSSA-N	00000010100010101001000010000000000000000000000000000000	25-01-150511
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)C(C)C)C(=O)OCC	PC-id_19716919	478.628	BUNSVTRPYLCUIU-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150512
CC1(C)CC(=O)C(C(Nc2sc3c(c2C#N)CCC3)Nc2sc3c(c2C#N)CCC3)C(=O)C1	EMOLS-id_3504642,ZINC22_100718592,MCULE-9689510619,CoCoCo_4106929,PC-id_16254616	478.63	SNZHNKKSKSQKPU-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-150513
N#Cc1c(NC(C2=C(O)CC(CC2=O)(C)C)Nc2sc3c(c2C#N)CCC3)sc2c1CCC2	PC-id_40942802,CoCoCo_4106930,CoCoCo_4106931	478.63	REDVTJRNKPDWGF-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-150514
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)NC1CCCN(C1)CC1CCCCC1	SCHEMBL14522907,PC-id_71191759	478.63	MMKFCYYYRQSLLU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150515
CC(C)Cn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1N1CCOCC1	PC-id_40972487,CoCoCo_4182541,ZINC22_9217676	478.631	VDBIJAROVMYXNF-ZDUSSCGKSA-N	00000010100010000001100010000000000000000000000000000000	25-01-150516
CC(C)Cn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)nnc1N1CCOCC1	PC-id_40972488,ZINC22_9217677,CoCoCo_4182540	478.631	VDBIJAROVMYXNF-CYBMUJFWSA-N	00000010100010000001100010000000000000000000000000000000	25-01-150517
CC(Cn1c(nnc1N1CCOCC1)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	SCHEMBL20936268,EMOLS-id_11843294,MCULE-4083481680,PC-id_16380830	478.631	VDBIJAROVMYXNF-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-150518
S(=O)(=O)(N1CC[NH+](CC1)C)c1ccc(SCC(=O)Nc2sc3CCCc3c2C#N)nc1	PC-id_40967881	478.631	RJPQKZJHSMSEAC-UHFFFAOYSA-O	00000010100010101001000010000000000000000000000000000000	25-01-150519
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CN1CCCCC1)c1ccccc1)C#N	PC-id_24584642	478.633	FOPJDNMLAICUDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150520
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)CN1CCN(CC1)c1ncccc1)C#N	PC-id_56248797	478.653	KHCYPFVDSXPREI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-150521
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_140817131	478.657	BJJIQSBFDXAXPN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150522
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817020	478.657	KZNLGMRXELSFEQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150523
Clc1c(nc(Cl)c(Cl)c1N)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_45644786	478.734	BRILWFSJZDMUDY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150524
Cc1ccc(OCc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)cc1	EMOLS-id_324869642	478.747	SGAKNOJKRDAMKK-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-150525
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)CCOc1ccccc1	MCULE-3774686564	478.747	QACRVHHZIDIRFE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150526
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1ccc(cc1)C	MCULE-4247551266	478.747	SGAKNOJKRDAMKK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150527
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(CCOc3ccccc3)nn2c1=O	EMOLS-id_324851442	478.747	QACRVHHZIDIRFE-DHDCSXOGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150528
Clc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	SCHEMBL3485260,PC-id_24946951	478.759	HEFXCOZONUFWMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150529
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C#N)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134285245,SCHEMBL19900960,BindingDB-id_799430	478.852	BTHWSSNMFYMFFF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150530
Clc1ccc(C(=O)NCCCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24370582	478.946	ZCRUVTVRZZJRBT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150531
Clc1ccc(C(=O)NCCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_30664745	478.946	QJDYCRFCVHEKMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150532
Clc1c(C(=O)NC(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)cccc1	PC-id_55307053	478.946	YKSWMIUTYZTIOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150533
Clc1c(OC)c(OCC)cc(c1)/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_41146166	478.946	DGEPXRAQFJBAKX-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150534
Clc1c(OC)c(OCC)cc(c1)C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_74749465	478.946	DGEPXRAQFJBAKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150535
COC(=O)[C@@]1([C@H](c2cccc(c2)Cl)NC(=O)OC(C)(C)C)C(=O)c2c(N1C(=O)C)ccs2	PC-id_138973233	478.946	ATPODSPSYXMQNR-HTAPYJJXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150536
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccc(Cl)cc2)sc2c(CCC2)c1C#N	MCULE-4091262720	478.951	DFEJDEUVFDPANY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150537
Clc1ccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_321803902	478.951	DFEJDEUVFDPANY-DHZHZOJOSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150538
Clc1ccc(NC(=O)C(=O)NCC(NC(=O)c2sc3c(CN(C3)C)c2)C(=O)N(C)C)nc1	SCHEMBL14496408,PC-id_58893798	478.952	LEXKNCYWDURSNS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150539
Clc1cc(C(=O)N2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c(F)cc1	PC-id_55841804	478.967	JKTVDXOUGDYADR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150540
C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25519919,CoCoCo_4173844,ZINC22_12797671	478.972	OXLDPHFMPOIGFT-SNVBAGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150541
C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25519921,ZINC22_12797675,CoCoCo_4173845	478.972	OXLDPHFMPOIGFT-JTQLQIEISA-N	00000010100000110001000010000000000000000000000000000000	25-01-150542
Clc1ccc(c(c1)[N+](=O)[O-])N1CC[NH+](CC1)[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	GD-id_ZINC14925536	478.972	IKXJSQMPCNUZFO-GFCCVEGCSA-O	00000010100010110001100010000000000000000000000000000000	25-01-150543
Clc1ccc(cc1)OCc1nnc(o1)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_17531051,MCULE-6997529062,EMOLS-id_16768172	478.972	OXLDPHFMPOIGFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150544
Clc1cc(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)ccc1	PC-id_71654820	478.974	CEGGSGVNPIERPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150545
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913349,MCULE-2037758948,PC-id_44053075	478.992	AVCDARUPKAOJIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150546
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1CC(=O)NC[C@@H]1CCCO1)CSC2	CoCoCo_5277624,PC-id_30862409,ZINC22_23139104	478.992	AVCDARUPKAOJIU-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150547
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2	CoCoCo_5277625,ZINC22_23139107,PC-id_30862411	478.992	AVCDARUPKAOJIU-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150548
c1(NC(=O)c2c(Cl)cnc(SCC=C)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_9859870,PC-id_16446211,TIMTEC301838,ChEMBL-DNDi_CHEMBLD233-0624,MCULE-5349518573	479.015	MALSKSWBRPBRLB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-150549
C=CCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)n1	CoCoCo_2237426,PC-id_40871693,ZINC22_8916706	479.015	MALSKSWBRPBRLB-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-150550
C=CCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)n1	ZINC22_8916705,PC-id_40871692,CoCoCo_2237425	479.015	MALSKSWBRPBRLB-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-150551
Clc1ccc(S(=O)(=O)N2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_24588800	479.015	WRTWWEYCRIKOBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150552
Clc1c(S(=O)(=O)N2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cccc1	PC-id_24589206	479.015	GFHHSNCREIEZDT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150553
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388505,MCULE-8290958513	479.032	SUQQVZIDQOBMNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150554
CC[C@@H]1N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)C(C#N)(C)C	SCHEMBL18367860	479.037	MRZHRRGZELMZCN-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150555
C[C@@H](C(F)(F)F)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)Cl)Cl	PC-id_154663330	479.043	DIIPSQIGCVRTDA-QMMMGPOBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150556
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278792	479.044	IDDAQDFNFQFXIJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150557
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)C5=CC=CC=C5	PC-id_164872149	479.097	OUHQOJDDEBGMML-HXUWFJFHSA-N	00000010100100110001100010000000000000000000000000000000	25-01-150558
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3OCCO)SC4=CN(N=C4)CC(F)F	PC-id_164872022	479.144	MNOZZJQCHYMJJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150559
CC1=C(C(=NN1CC(F)F)C)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164931888	479.144	MMUVYYYEMIXGNJ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150560
CC1=C(C(=NN1CC(F)F)C)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4	PC-id_164931991	479.144	MMUVYYYEMIXGNJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150561
CCC1=CC=CC=C1[C@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931901	479.144	REAXUSGSPHCFBN-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150562
CCC1=CC=CC=C1[C@@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931955	479.144	REAXUSGSPHCFBN-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150563
Brc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(Cl)cc(Cl)c1	PC-id_17095303	479.172	IBXDHDBTKFPLRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150564
CC1(CCC(CC1)CC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)[O+]=C)Cl	PC-id_164801011	479.194	OBRIHEFQXPNAAL-UHFFFAOYSA-O	00000010100010000000000010000000000000000000000000000000	25-01-150565
Cc1c(ccc(c1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC(CCF)(CCF)CO)C)F	PC-id_163542197	479.203	FCBBXKCJCOXIGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150566
c1(NC(=O)c2cc(c(Br)s2)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-6985661929,PC-id_19205154	479.207	ZZRZALCNAKWYLO-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-150567
CC1(CCC(CC1)CCC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)O)Cl	PC-id_165020646	479.207	WBGYYLOJRLUEBH-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-150568
CC1(CCC(CC1)CC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Cl	PC-id_164976783	479.207	NUPIXGBZVZQNOD-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-150569
Brc1sc(Br)c2C(=O)N(CC(CCCCCC)CCCC)C(=O)c12	SCHEMBL12700061,PC-id_68359319	479.27	FBXUHFCOAARSTR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150570
CCCCCCCCCC(CC(c1c2c(cs1)C(=O)NC2=O)Br)Br	PC-id_91491973	479.27	QTXZKVIRDMQPOI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150571
CCCCCCCCCCCCN1C(=O)c2c(Br)sc(Br)c2C1=O	PC-id_59287950,SCHEMBL2053670,ZINC22_100190215,EMOLS-id_49864026,MCULE-1764963178	479.27	PFMZNXNFQFEBMQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150572
CCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)CC	SCHEMBL19721700	479.27	KKEKRUXUQHLEDD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150573
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=NC=CC(=C5C)C	PC-id_151220155	479.29	NMCNWAVTNWTZNH-KDURUIRLSA-N	00000010100010101001100010000000000000000000000000000000	25-01-150574
Clc1cc(C(C2(S(=O)(=O)C)n3c(NC2=O)ncc3)c2ccc(cc2)C#N)cc(Cl)c1F	PC-id_77567904	479.312	NNJGIBOWIXTWKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150575
Clc1cc(C([C@]2(S(=O)(=O)C)n3c(NC2=O)ncc3)c2ccc(cc2)C#N)cc(Cl)c1F	SCHEMBL3715247,PC-id_68757128	479.312	NNJGIBOWIXTWKZ-OTOKDRCRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150576
Clc1cc([C@H](C2(S(=O)(=O)C)n3c(NC2=O)ncc3)c2ccc(cc2)C#N)cc(Cl)c1F	SCHEMBL3715250,PC-id_68757130	479.312	NNJGIBOWIXTWKZ-QRIPLOBPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150577
Brc1oc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc1	PC-id_44053640	479.323	PUEQPWBBPLWNHV-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-150578
c1(C(F)(F)F)c2CCCc2n(CC(=O)Nc2cnn(c2)Cc2c(F)c(c(c(F)c2F)F)F)n1	ZINC22_95541112,MCULE-3914744650,TIMTEC600362,PC-id_19591091,EMOLS-id_8867693	479.327	ZPLWACWLUQWXNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150579
Brc1cc(c(OC)cc1)/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_24346915	479.344	PWUWMGXPKBYQCL-VMPITWQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150580
Brc1cc(c(OC)cc1)C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_74263063	479.344	PWUWMGXPKBYQCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150581
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)ccc(Cl)c1	PC-id_44053693	479.355	BXQVMDYXZBALQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150582
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc(Cl)cc1	PC-id_44053694	479.355	JRVLNBMSNDPQOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150583
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4804638786,EMOLS-id_334344096	479.376	XNSCUCDXQVXKLG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150584
Brc1cc(c(NC(=O)CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1)C	PC-id_31479816	479.391	FQRFUXIELPIGIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150585
Brc1c(NC(=O)CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)cccc1	PC-id_24681224	479.391	BALKPHSXKFUWJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150586
Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]C[C@@H]2CCCO2)sc2c1CCC2	GD-id_ZINC16192951,PC-id_27003004	479.41	YOQDVKFLZDTSIS-HNNXBMFYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-150587
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]CC2OCCC2)cc1	PC-id_74516936	479.41	YOQDVKFLZDTSIS-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-150588
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]C[C@@H]2OCCC2)cc1	PC-id_6980575	479.41	YOQDVKFLZDTSIS-OAHLLOKOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-150589
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(COC1)P(=O)(C)C)C(=O)Nc1cc(c(cc1)F)F	PC-id_134586579,SCHEMBL20238908	479.414	PCULOORUDPDLSW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150590
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)(C)C)sc2c(CCC2)c1C(=O)N	MCULE-7597976103,PC-id_19202133	479.43	GWNZRIPNRRSXGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150591
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1cc(c(F)cc1)C(F)(F)F	PC-id_16947919	479.447	FOVCWZJYWBRQRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150592
CS(=O)(=O)OC1CC(N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])C(=O)N1CCc2nccn12	PC-id_88521994	479.464	WENVMUISRKTRPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150593
CS(=O)(=O)OC1CC(N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])C(=O)N1CCn2c1ccn2	PC-id_88521993	479.464	BKTOGJSEHWZLRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150594
O=C(N1C[C@@H](C[C@H]1C(=O)N1CCc2n1ccn2)OS(=O)(=O)C)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9828204	479.464	WENVMUISRKTRPG-CVEARBPZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150595
O=C(N1C[C@@H](C[C@H]1C(=O)N1CCn2c1ccn2)OS(=O)(=O)C)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9828200	479.464	BKTOGJSEHWZLRB-CVEARBPZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150596
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321771005,MCULE-7888086992	479.465	XSJDSGQQGULJBQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150597
c1(NC(=O)COc2cccnc2NC(=O)Oc2cccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-4232048581,EMOLS-id_321771261	479.465	WHVNUBAJIPPZJH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150598
NCc1cccc(c1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)F	SCHEMBL1371500,PC-id_67009101	479.475	FIWFCNXDKHCFJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150599
O=C(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)c1ccccc1OC(=O)c1ccccc1O	SCHEMBL16726831,PC-id_118084038	479.48	AKHJQPYKZMNBSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150600
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)C(F)(F)F)C	PC-id_57523709,BindingDB_PC-id_57523709	479.495	NORZHYUPBXCJOJ-MRXNPFEDSA-N	00100010100000110001000010000000000000000000000000000000	25-01-150601
FC(F)(F)C1(CC1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)OC(CN(C)C)c1ccccc1)(C)C	PC-id_76555286	479.495	NORZHYUPBXCJOJ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-150602
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(F)cc1)C(=O)OCC	PC-id_4128147	479.502	NRLWHJUVUNOPGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150603
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(F)cccc1)C(=O)OCC	PC-id_5180650	479.502	BELFPMRJZQVJMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150604
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(OC(=O)C)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_45970310,ZINC22_27022085	479.505	VEZMPZFBMJSZCA-VIBAAIGISA-N	00000000100000110001000010000000000000000000000000000000	25-01-150605
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OC(=O)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-1959496848	479.505	VEZMPZFBMJSZCA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150606
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCN(CC2)c2[nH]c(=O)ccc2)(C)C)cc1	PC-id_10435241	479.507	QNEOFFRZDDSJTM-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-150607
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2ccccn2)sc2CCCc2c1C#N	MCULE-8971261703,EMOLS-id_333661643	479.512	SOGDKIFOPHUMBR-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-150608
s1c2CCCc2c(c1NC(=O)CCN(Cc1ccc(cc1)C(F)(F)F)CC(=O)OCC)C#N	PC-id_60253955	479.515	DKLRDIFZGHRLAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150609
C#CCC(COC(=O)c1ccc(cc1)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CC#C	PC-id_140930724	479.523	XKMHXDZOYAVBTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150610
C#CCC(COC(=O)c1cccc(c1)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CC#C	SCHEMBL18613773	479.523	UAGWLDUSBCYQGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150611
COCCCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2(F)CCN(C)CC2)C3(C)C)n1	BindingDB-id_546117,BindingDB_PC-id_59333913,PC-id_59333913,SCHEMBL3330973	479.523	OKUZSDKSFUEYGG-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-150612
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccc(F)cc1)C(=O)NCc1occc1	PC-id_52088817	479.523	PSBWOFVRLGVMLS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-150613
c1(NC(=O)COc2cccnc2NC(=O)NCCc2ccc(F)cc2)sc2c(CCC2)c1C#N	MCULE-5513871253,EMOLS-id_321874043	479.527	ZCYUHHBNZUROTG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150614
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C(=O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678283,PC-id_137440971	479.527	HFBWCCAAFXNWLV-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-150615
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCC(OCc3ccncc3)CC2)cc1)C	PC-id_53469836	479.528	YBJQGOCNTMSOQL-RUZDIDTESA-N	00000010100010111001000010000000000000000000000000000000	25-01-150616
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCC(OCc3ccncc3)CC2)cc1)C	PC-id_76037158	479.528	YBJQGOCNTMSOQL-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-150617
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(Nc3cc(OC)ccc3)CC2)cc1)C	PC-id_5278856	479.528	SCICVUWIIMKRKZ-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-150618
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(Nc3cc(OC)ccc3)CC2)cc1)C	PC-id_78381704	479.528	SCICVUWIIMKRKZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150619
CC(c1ccccc1)N1CCCN(CC1)c1ncc(cn1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_142613237	479.532	IPMNRPWUHKNLPP-VCUSLETLSA-N	00000010100000110101100010000000000000000000000000000000	25-01-150620
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(C)Oc1ccc(cc1)c1ccccc1)C(=O)OC	PC-id_2969437,MCULE-6639153118,EMOLS-id_2494280	479.545	HIMCBEMZESJBIJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-150621
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)c1ccc(cc1)C)C(=O)OC	MCULE-1497919274,TIMTEC572826,SPECS-id_AT-225/NB59872,PC-id_2789917,EMOLS-id_603461,STOCK2S-63159	479.545	YKQVLDUVELVVKH-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-150622
CCOC(=O)c1c(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)sc2c1CCC2	ZINC22_9493228,PC-id_4875673,MCULE-4666629064,CoCoCo_2810666,EMOLS-id_3305673	479.545	HWKRRDFITBZIGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150623
COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(c3ccccc3)cc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_537120,ZINC22_1787255,PC-id_1575907	479.545	HIMCBEMZESJBIJ-BEFAXECRSA-N	00000010100000110000100010000000000000000000000000000000	25-01-150624
COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(c3ccccc3)cc2)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_537123,ZINC22_1787254,PC-id_1575908	479.545	HIMCBEMZESJBIJ-KXBFYZLASA-N	00000010100000110000100010000000000000000000000000000000	25-01-150625
COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(c3ccccc3)cc2)sc2c1[C@H](C(=O)OC)CC2	PC-id_1575905,ZINC22_1787253,CoCoCo_537121	479.545	HIMCBEMZESJBIJ-DNVCBOLYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-150626
COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(c3ccccc3)cc2)sc2c1[C@H](C(=O)OC)CC2	ZINC22_1787252,CoCoCo_537122,PC-id_1575906	479.545	HIMCBEMZESJBIJ-HNAYVOBHSA-N	00000010100000110000100010000000000000000000000000000000	25-01-150627
COC(=O)c1c(NC(=O)COc2ccc(c3ccc(C)cc3)cc2)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_747323,PC-id_978511,ZINC22_622347	479.545	YKQVLDUVELVVKH-LJQANCHMSA-N	00000010100000110000100010000000000000000000000000000000	25-01-150628
COC(=O)c1c(NC(=O)COc2ccc(c3ccc(C)cc3)cc2)sc2c1[C@@H](C(=O)OC)CC2	PC-id_978514,ZINC22_622350,CoCoCo_747324	479.545	YKQVLDUVELVVKH-IBGZPJMESA-N	00000010100000110000100010000000000000000000000000000000	25-01-150629
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1F)C#N	PC-id_16512462	479.545	KAJLVAMYRNLFIK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150630
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)c(F)cc1)C#N	PC-id_16529943	479.545	JDXSWTUIPSURDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150631
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](SCC(=O)Nc1ccc(F)cc1)C)C(=O)N	PC-id_41513614	479.545	DQWOLQOBUZPCDH-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-150632
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](SCC(=O)Nc1ccc(F)cc1)C)C(=O)N	PC-id_41513615	479.545	DQWOLQOBUZPCDH-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150633
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(SCC(=O)Nc1ccc(F)cc1)C)C(=O)N	PC-id_45671799	479.545	DQWOLQOBUZPCDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150634
CC1(c2c(CN1C(=O)OC(Cc1ccccc1)CN(C)C)c(n[nH]2)NC(=O)c1ccc(cc1)F)C	PC-id_89800805,SCHEMBL15252476	479.547	YWUYLRVGKIHDDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150635
CC1C2C(C(=O)N2C(=C1SC1Cc2nccn2C1)C(=O)OCOC(=O)OC(C)(C)C)C(C)O	PC-id_89432884	479.547	IIETVECZPFIBFQ-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-150636
CN(CC(c1ccccc1C)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_70792612,SCHEMBL12878970	479.547	WARKUXUFBJGYSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150637
CN(C(C(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C)C	PC-id_66941838,SCHEMBL1206492	479.547	VELKSUFYWARGTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150638
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)Cc1ccc(cc1)F)C	PC-id_66941343,SCHEMBL1205104	479.547	NXDVMNOOEMLKRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150639
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)Cc1ccc(cc1)F)C	SCHEMBL1205101,PC-id_58015626	479.547	NXDVMNOOEMLKRN-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150640
CN(C[C@@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)Cc1ccccc1)C	PC-id_58015628,SCHEMBL12879347	479.547	YWUYLRVGKIHDDL-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150641
CN(C[C@@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)Cc1ccccc1)C	SCHEMBL1206293,PC-id_58015643	479.547	KCYOHKMRZMOACT-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150642
CN(CC(OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1F)Cc1ccccc1)C	PC-id_66941786,SCHEMBL1206299	479.547	KCYOHKMRZMOACT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150643
CN([C@H]([C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C)C	PC-id_66941837,SCHEMBL1206489	479.547	VELKSUFYWARGTD-HRAATJIYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150644
O=C(OC(C)(C)C)OCOC(=O)C1=C(S[C@H]2Cn3c(C2)ncc3)[C@@H]([C@H]2N1C(=O)[C@@H]2[C@H](O)C)C	SCHEMBL14769587	479.547	IIETVECZPFIBFQ-GLKFPVFTSA-N	00001011100000000001001010000000000000000000000000000000	25-01-150645
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)OC)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9255874048,EMOLS-id_334340770	479.548	CEIDYLUNUROUIM-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-150646
c1(NC(=O)COc2cn(c(cc2=O)C)CCOc2ccc(OC)cc2)sc2CCCc2c1C#N	MCULE-5477535944,EMOLS-id_331631813	479.548	OEUKFTFTYFBHDH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150647
c1(NC(=O)COc2c(=O)ccn(CCOc3ccc(cc3)OC)c2C)sc2c(CCC2)c1C#N	PC-id_84572199,MCULE-5259460049,EMOLS-id_181497194	479.548	HUEZQZXMXMJFMW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150648
Cc1cc(ccc1)CCNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	PC-id_89237217,SCHEMBL14055795	479.548	HZAXNUAIGJWPMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150649
Cc1cc(cc(c1)CNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C)C	SCHEMBL14057555,PC-id_89238749	479.548	MLKDBZLOQYETJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150650
Cc1c(ccc(c1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C)C(=O)NCCc1ccccc1	SCHEMBL14055737,PC-id_89237167	479.548	RGAWFFXNDHADED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150651
CCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC	ZINC22_16742090,EMOLS-id_45966535	479.548	CFYRRLOACIXTCP-MZGCFZMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150652
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCCc1ccccc1	SCHEMBL14057800,PC-id_89238940	479.548	SXLJQTJZNUOZNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150653
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N(CCc1ccccc1)C	SCHEMBL14055829,PC-id_89237247	479.548	ZKMYRNZIEGDOPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150654
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-2444004880	479.548	CFYRRLOACIXTCP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150655
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-5901059029	479.548	ZYPZNKCWDPQMQL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150656
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1	PC-id_41289848	479.548	KDSZUGMLTIHMJO-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-150657
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(cc1)C(=O)Nc1ccc(OC)cc1)C(=O)OC	PC-id_24406420	479.548	KBMHPCQBZDGALH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150658
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)C=Cc1sccc1)C(=O)OC	PC-id_5046178	479.55	CINYVYICPWUCCA-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-150659
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)C(C)(C)C)sc2CCCc2c1C#N	EMOLS-id_333649808,MCULE-2778595200	479.551	SLIPVYQTNDNHMQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150660
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(c2)C(C)(C)C)sc2CCCc2c1C#N	MCULE-3672311257,EMOLS-id_333650321	479.551	WIAASKJJMYUXQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150661
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)CCCC)sc2CCCc2c1C#N	MCULE-8526063510,EMOLS-id_333646239	479.551	PKVYZATXOYIOIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150662
c1(NC(=O)COc2nonc2CC(=O)NCCCCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333686608,MCULE-7896936191	479.551	GNSXZEUGIMGECT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150663
O=C(C(c1ccc(cc1)N1CCCC1=O)C)Nc1[nH]nc2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_68441071,SCHEMBL2919808	479.551	AKCVZIXUIKNKMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150664
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(cc3)C)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053319	479.551	UQWDWLNYJZROGK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-150665
s1c2c(CCC2)c(c1NC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)NCC1OCCC1	PC-id_75783556	479.591	UPDIHFQOZUSGBC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150701
CCOC(=O)c1c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	EMOLS-id_8350198,ZINC22_8626022,MCULE-7814154398,CoCoCo_2782588,PC-id_16298229	479.566	QCFZKPKMGKBWJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150666
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCC)c2=O)C=Cc1ccc(cc1)F	MCULE-1008321827	479.566	DROQXHCUHMATPV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150667
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9255116,PC-id_40987386,CoCoCo_3122053	479.57	NFZWLCFSYXCVBE-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150668
CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9255120,PC-id_40987389,CoCoCo_3122052	479.57	NFZWLCFSYXCVBE-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150669
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CCO)(C(=O)NO)S(=O)(=O)C	PC-id_137440939,SCHEMBL20678248	479.57	PYQGOTCTXBAHJA-OAQYLSRUSA-N	00001010100000000000000010000000000000000000000000000000	25-01-150670
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CCO)(C(=O)NO)S(=O)(=O)C	PC-id_137440942,SCHEMBL20678251	479.57	PYQGOTCTXBAHJA-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-150671
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H](N1C)CO)(C(=O)NO)S(=O)(=O)C	PC-id_137440977,SCHEMBL20678289	479.57	IARSJYAEOCPVOV-GCKMJXCFSA-N	00001010100000000000000010000000000000000000000000000000	25-01-150672
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H](N1C)CO)(C(=O)NO)S(=O)(=O)C	PC-id_137440979,SCHEMBL20678291	479.57	IARSJYAEOCPVOV-PTHSTZKBSA-N	00001010100000000000000010000000000000000000000000000000	25-01-150673
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@@H]1CN([C@H]1CO)C)(C(=O)NO)S(=O)(=O)C	PC-id_137440898,SCHEMBL20678195	479.57	NXXPCEJTIGIYAR-DAESXHAQSA-N	00001010100000000000000010000000000000000000000000000000	25-01-150674
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@@H]1CN([C@H]1CO)C)(C(=O)NO)S(=O)(=O)C	PC-id_137440900,SCHEMBL20678198	479.57	NXXPCEJTIGIYAR-CFNJBXRESA-N	00001010100000000000000010000000000000000000000000000000	25-01-150675
CCOC(=O)c1c(nc(=O)[nH]c1C)SC(C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_121054161	479.57	YJCDWFPLMUIZMM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-150676
COc1ccc(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1S(=O)(=O)N1CCOCC1	CoCoCo_3218588,ZINC22_13149871,EMOLS-id_2877476,PC-id_16229610,MCULE-8055392412	479.57	VUIDJXBRJDSNOB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150677
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)C(C(C)C)NS(=O)(=O)c1ccccc1	PC-id_3408691,MCULE-1420034880,EMOLS-id_43785887	479.57	NFZWLCFSYXCVBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150678
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)NC(=O)OC	PC-id_44993389	479.57	MMSUFEHFKGHMII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150679
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)C)C)C(=O)N	PC-id_24496849	479.57	TUOMBZILJBGGAW-UEWDXFNNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150680
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C(NS(=O)(=O)c1ccc(cc1)C)C)C)C(=O)N	PC-id_74287582	479.57	TUOMBZILJBGGAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150681
S(=O)(=O)(N1CCCC1)c1cn(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(=O)cc1	PC-id_24372953	479.57	JXPBOUQIPDZCLT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150682
S(=O)(=O)(N(C(C)C)Cc1ccccc1)c1ccc(C(=O)Nc2sc3CCCc3c2C#N)cc1	PC-id_16833599	479.614	ZLBCGPCSGCGQTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150720
c1(C(=O)OCC)c2CCCc2sc1NC=C(C#N)c1scc(c2ccc(cc2)OC(=O)C)n1	PC-id_3858316,MCULE-1875749399	479.571	HDRLHXPEZGCPJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150683
CCOC(=O)c1c(N/C=C(c2scc(n2)c2ccc(cc2)OC(=O)C)/C#N)sc2c1CCC2	PC-id_2203714,CoCoCo_986958	479.571	HDRLHXPEZGCPJG-VBKFSLOCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150684
CCOC(=O)c1c(N/C=C(C#N)/c2nc(cs2)c2ccc(OC(=O)C)cc2)sc2CCCc12	CoCoCo_986957,EMOLS-id_25964112,PC-id_2203715,CHEMBL1873745	479.571	HDRLHXPEZGCPJG-FOWTUZBSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150685
COc1cc(cc(c1OC)OC)c1n[nH]c(c1)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109872	479.571	AXWBEHUYXPZGES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150686
Fc1cc(F)c(c(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882979	479.571	PJMZGHGPNMTXFN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150687
Fc1cc(F)c(c(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C	PC-id_145210910	479.571	DWDWOGHBCRUPAO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150688
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(F)ccc(c1F)F	PC-id_140883012	479.571	WBITXZXAIBDXBV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150689
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)Nc1c(F)ccc(c1F)F	PC-id_145210911	479.571	UVTHZYCNPUENFN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150690
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCc2c1)c1cn(c(c1)C(=O)N)C	PC-id_24564051	479.573	LGTIHSHVWWQRAR-UHFFFAOYSA-N	00000010110010000000000010000000000000000000000000000000	25-01-150691
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(SC)c2)sc2c(CCC2)c1C#N	EMOLS-id_321903614,MCULE-4185950708	479.575	CBHDIBVPLCRQGD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150692
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331788723,MCULE-3210589298	479.575	VBDWDUIEWLWPEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-150693
NC(=O)c1c2c(CCC2)sc1NC(=O)CSc1n(Cc2occc2)c(c2ccccc2)nn1	EMOLS-id_6512295,ASN-03932003,PC-id_3180977,MCULE-2493232006,SCHEMBL8290848,CoCoCo_3640657,ZINC22_12706448	479.575	ZBUYGNRNOFCGCN-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-150694
NC(=O)c1c(NC(=O)CSc2nnc(c3ccco3)n2Cc2ccccc2)sc2c1CCC2	ZINC22_2661224,CoCoCo_2799091,MCULE-1108266238,EMOLS-id_43412980,PC-id_2125134	479.575	OJSWFENKWWAFBU-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-150695
O=C(c1cc(sc1C)c1ccccc1C(=O)NCCc1n[nH]nn1)Nc1nc2c(s1)CCC2	PC-id_145987086	479.578	WZMNOMAKIGQCIH-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-150696
Cc1c(c(c(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)F	SCHEMBL20348572,PC-id_135195440	479.586	PVPJYDVAJLPNQC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-150697
CCOC(=O)C1(NC(=O)c2ccc(c(c2)OCCc2cccc(c2)C)OC)Cc2c(C1)csc2	SCHEMBL1561205,PC-id_67076576	479.588	DVFZSTVNXZGZPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150698
c1(NC(=O)CCCCCNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5065549707,EMOLS-id_334340513	479.591	NNFHVJVCRBPBCF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150699
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2920541161,EMOLS-id_334338469	479.591	HHGYFRNMMPOWTR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150700
s1c2c(CCC2)c(c1NC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)NC[C@H]1OCCC1	PC-id_52088118	479.591	UPDIHFQOZUSGBC-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150702
s1c2c(CCC2)c(c1NC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)NC[C@@H]1OCCC1	PC-id_52088119	479.591	UPDIHFQOZUSGBC-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150703
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(CCCC)cc1	PC-id_16948036	479.591	BDZSFXFNDFCTAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150704
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC(CCc1ccccc1)C	PC-id_16948024	479.591	GKWAZFXNZSBRDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150705
s1c2c(CCC2)c(c1NC(=O)CN(C1C(N(CCCC)C(=O)NC1=O)N)CCC)C(=O)OC	PC-id_74303989	479.593	JLXUPRSXKCQVQC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150706
CS(=O)Nc1ccc(cc1)CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_141251786	479.594	LQBZKIOYDGKXDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150707
s1c(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)c(nc1C)C	PC-id_71717734	479.598	IZFQKQWHEFPQRG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150708
CC([C@@H]1N(Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C(=O)OC(C)(C)C)C	PC-id_117688894,SCHEMBL16224713	479.613	YFHDRPGSBSBKLR-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150709
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C)Cc1ccc(cc1)S(=O)(=O)C	PC-id_117688920,SCHEMBL16224752	479.613	ZTVKSJAKNGZSMD-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-150710
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)OCC	PC-id_24616720	479.613	QBHICDZMNZUCRS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150711
s1c2c(CCC2)c(c1NC(=O)CNc1ccc(S(=O)(=O)N(CCCC)C)cc1)C(=O)OC	PC-id_24616592	479.613	JAYXKASCCLSHKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150712
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CC)sc2CCCc2c1C#N	EMOLS-id_331788724,MCULE-7671625568	479.614	XNPIQFBVFASOFS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150713
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCC)sc2CCCc2c1C#N	MCULE-2726006086,EMOLS-id_331787964	479.614	VDCNPZJCLHMUKK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150714
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CC)sc2CCCc2c1C#N	MCULE-6046568287,EMOLS-id_331789492	479.614	MNRFFNVYFFNAOY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150715
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-8821995990,EMOLS-id_331788978	479.614	SCFVIUWSEPLMFY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150716
Cc1nc(COc2ccccc2/C=C/C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cs1	PC-id_51129235,ZINC22_62613351	479.614	DMBJNXAYJYPULY-FMIVXFBMSA-N	00100010100000110001000010000000000000000000000000000000	25-01-150717
O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)C=Cc1ccccc1OCc1csc(n1)C	EMOLS-id_32141173,PC-id_72046009,MCULE-5433477792	479.614	DMBJNXAYJYPULY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-150718
O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)/C=Cc1ccccc1OCc1csc(n1)C	PC-id_97543440	479.614	DMBJNXAYJYPULY-XFXZXTDPSA-N	00100010100000110001000010000000000000000000000000000000	25-01-150719
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4131658,CoCoCo_4131656,PC-id_41099110,ZINC22_9502835	479.616	RJRMTYOWLAFFIC-AWEZNQCLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-150721
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9502833,PC-id_41099108,CoCoCo_4131655,CoCoCo_4131657	479.616	RJRMTYOWLAFFIC-CQSZACIVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-150722
CN(Cc1c(C)nn(c1C)C1CCS(=O)(=O)C1)CC(=O)Nc1sc2c(c1C(=O)N)CCC2	EMOLS-id_11803129,PC-id_16358573,MCULE-5363144471	479.616	RJRMTYOWLAFFIC-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-150723
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC(=O)NCCC)C1	PC-id_44052922	479.616	BRCIXYPHVDQMTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150724
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC1CCCN(C1)C(=O)C=C)C	PC-id_137497897,SCHEMBL20741160	479.618	DKOOMRRWSCFPHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150725
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC1CCCN(C1)C(=O)C=C)C	SCHEMBL20741159,PC-id_137497896	479.618	DKOOMRRWSCFPHG-VGAJERRHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150726
C=CC(=O)N1CCC(CC1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878771,PC-id_121444015	479.618	ONZDCZHQARLBEU-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150727
c1(NC(=O)COc2cccc(c2)NC(=O)C2CCC(CCCC)CC2)sc2c(CCC2)c1C#N	EMOLS-id_323184746,MCULE-9366870455	479.634	PNLJQRZWLHNGDX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150728
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_20180923	479.636	ZEIXLJMWYYBVAL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150729
S(=O)(=O)(N(C1CCCCC1)C)N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N	PC-id_55626162	479.659	OELXSZMMXMZRHM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150730
OCC(C1CCCCC1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537131	479.679	VVOWDBXGTLBACB-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-150731
C/C=CC1=C(c2cncn2C1CC(C1CCN(CC1)C(=NC)C/C=C/C=C(C)/SC)N=O)C=C	PC-id_135228951	479.681	AZGCUYFMIHGREA-OKOCPUEKSA-N	00000011100010000001000010000000000000000000000000000000	25-01-150732
C/C=CC1=C(C=C)c2n(C1CC(C1CCN(CC1)/C(=N/C)/C/C=C/C=C(/SC)C)N=O)cnc2	SCHEMBL20386516	479.681	AZGCUYFMIHGREA-RTVRKDPCSA-N	00000011100010000001000010000000000000000000000000000000	25-01-150733
CCCCc1cc2n(c1C(=O)c1ccccc1)CCC2C(=O)OCCCCCCCCCCCC	SCHEMBL11008318,PC-id_20405051	479.694	PBWLWMJFJXQBRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150734
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCCCCCCCCCCCCCCC	PC-id_11576595	479.694	HRVVUTGETIOSMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150735
O=C(CCc1nnc2s/c(=Cc3ccccc3Cl)/c(=O)n12)Nc1cc(Cl)ccc1Cl	ZINC22_1624127,NSC634672	479.767	SKPZHUYUYHUEPT-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150736
O=C(CCc1nnc2s/c(=C/c3ccccc3Cl)/c(=O)n12)Nc1cc(Cl)ccc1Cl	ZINC22_8653093,GD-id_ZINC08653093	479.767	SKPZHUYUYHUEPT-CXUHLZMHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150737
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)CO)C)Cl	PC-id_134599069,SCHEMBL20252970	479.904	SMVBXTIPWQEJFJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150738
Cc1c(C(=O)C(=O)NC2(CC2)c2ccccc2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	SCHEMBL19900870,PC-id_134285165,BindingDB-id_799372	479.931	LRUHUPVDHZBOIV-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-150739
Clc1c(OC)c(OC)cc(c1)/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_41070359	479.931	HMKMIFZHOMWGAZ-BQYQJAHWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150740
Clc1c(OC)c(OC)cc(c1)C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_74742467	479.931	HMKMIFZHOMWGAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150741
Clc1ccc(NC(=O)C(=O)NCC(NC(=O)c2sc3CN(Cc3n2)C)C(=O)N(C)C)nc1	SCHEMBL14496384,PC-id_58893891	479.94	HMYRNWLXKYVXOR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-150742
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-6569997459,PC-id_24223625	479.954	KGLITQBWNQWJIJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150743
Clc1ccc(OCc2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_4142174	479.957	JFDIKWIAAIYNGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150744
Clc1nc2sccn2c1/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_45612556	479.957	ZYRZKKAUTRXTQY-VOTSOKGWSA-N	00000010100000000001000110000000000000000000000000000000	25-01-150745
Clc1nc2sccn2c1C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_75121302	479.957	ZYRZKKAUTRXTQY-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-150746
Clc1c(NC(=O)NN2Cc3c([nH]nc3NC(=O)Cc3ccc(N4CCCC4)cc3)C2)cccc1	PC-id_68441265,SCHEMBL2920399	479.962	OAPYGOODOLSJER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150747
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1cc(C)c(c(C)c1)Cl)C(=O)OC	MCULE-5278015410,PC-id_19191118	479.974	LVDWRQSPMQEGCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150748
Clc1cc(NCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1C(=O)NCCOC	PC-id_55918508	479.977	SHYABSRCFPZMKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150749
Clc1cc(NC(=O)CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)c(OC)cc1	PC-id_2658218	479.977	LNYYVQXVCFAADP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150750
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1F	PC-id_22195414	479.995	DXSQNVWYDYRMTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150751
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(F)c1	PC-id_22194463	479.995	RHMOAVMHRCNZBN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150752
Clc1ccc(C(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccccc4)c3C2)(C)C)CN(C)C)cc1	SCHEMBL1205140,PC-id_58015605	480.002	CEJYQEKLZLLQBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150753
Clc1ccc(cn1)C([C@H]1CC[C@H](N1)Cc1ccc(cc1)C(=O)N(Cc1n[nH]c2c1CCC2)C)O	PC-id_117995739,SCHEMBL16620118	480.002	JMXYYOAXLYFZGM-WAQUOTSXSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150754
Clc1ccc(cn1)[C@H]([C@H]1CC[C@H](N1)Cc1ccc(cc1)C(=O)N(Cc1n[nH]c2c1CCC2)C)O	PC-id_117995738,SCHEMBL16620117	480.002	JMXYYOAXLYFZGM-UWUFEASWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150755
Clc1ccc(C(=O)Nc2sc3c(n2)C(C(=O)N2CCC(CC2)Cc2ccccc2)CC3)cc1	PC-id_16947345	480.022	UEJJRGBGTNZHDU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150756
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCCCCCCCCCCC)C(=O)OCC	PC-id_54792002	480.727	GEYRHZAAQRWYNV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150996
Clc1c(ccc(Nc2sc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nn2)c1)C	PC-id_24519405	480.027	HPXMFWSXMAGIQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150757
Clc1c(c(Nc2sc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nn2)ccc1)C	PC-id_24519260	480.027	HOQLBDXGRLTKIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150758
CC(C)(CCC(=O)O)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)F)Cl	PC-id_165018079	480.126	PRURIWSTSVLGQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150759
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)NC4=CN=C(C=C4)C(F)(F)F)C(=O)O	PC-id_148975519	480.133	PUSLTXQZLXIGAF-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-150760
Brc1ccc(c(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCC2)Br	CoCoCo_3532699,EMOLS-id_16717357,PC-id_17514365,MCULE-9016058759,GD-id_ZINC12894507	480.195	AAYLYNQCNVTQFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150761
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)(C)C(=O)NC)C(=O)NC1CC=C(C(=C1)C(F)F)F	PC-id_163858220	480.198	PAFJSSFMIOIRCU-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-150762
CC[C@H](C)CN1C=C2CN(CC2=N1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCC(CC4)(F)F	PC-id_154466841	480.201	HIZBRLXXEDHBDY-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150763
CC1(CCC(CC1)CCC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)O)Cl	PC-id_153046735	480.203	VGTFNKKDMQOOOZ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-150764
CC1(CCC(CC1)CC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Cl	PC-id_149223161	480.203	XIVMKEDSOYDZBK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-150765
Cc1nn2CCN(c2c1C(=O)N[C@@H](C)c1ccc(cc1)C(=O)OC)Cc1cc(ccc1)OCCF	PC-id_163983415	480.217	CDGHJRKBZCEPQJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150766
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC(=CC=C4)COCCF	PC-id_161228657	480.217	GIORGCFFXBKSHS-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150767
CC/C=C/C(=C(C=Cc1cc(c(cc1)C(=N)c1nc2c([nH]1)CN(C2)C(=O)N1CC[C@H](C1)O)N)/F)/O	PC-id_163603344	480.229	GZPPZIAVMROQQZ-QUBYYPJGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150768
C[C@H](C(F)(F)F)NC(=O)C(=O)c1c2CCCn2c(c1Cl)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL20259596,PC-id_134605031	480.24	FICYDGGHXQKQEP-MRVPVSSYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150769
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC(=CC=C4)N5CCN(CC5)C)C	PC-id_164613100	480.245	KMRRAHVRJDHPQG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150770
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC(=CC=C4)N5CCN(CC5)C)C	PC-id_164613294	480.245	QLISFODFWLVRTA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150771
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)C	PC-id_164613309	480.245	XHKNPVMZBCKSLF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150772
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)C	PC-id_164614134	480.245	VDWUFEKTWXEZTN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150773
CC1(C2=C(CN1CC3=C(C(=CC=C3)F)F)C(=NN2)NC(=O)C4=CC=CC=C4N5CCN(CC5)C)C	PC-id_165389125	480.245	UINHBDGKMUAHHU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150774
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=CC=C4N5CCN(CC5)C)C	PC-id_165389126	480.245	ABACWNNSBKZKTF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150775
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCO[C@@H](C5)CO)C	PC-id_151335376	480.274	OJIHJTDGBDAQQU-NRFANRHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150776
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC=C5)OC	PC-id_149739440	480.274	BAWNYIJPGXNBPL-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150777
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC=C5OC	PC-id_151718394	480.274	RIAXFXBPJYNANX-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150778
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4c(F)ccc(F)c4)c3C2)(C)C)c(Cl)ccc1	PC-id_24948068,SCHEMBL3485357	480.295	ADRYQLRHTCISCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150779
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4c(F)cc(F)cc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL3485383,PC-id_24947135	480.295	ZGWPUADTQXZJRC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150780
c1(C(F)(F)F)c(Br)c(n(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)n1)C	EMOLS-id_1293989,STOCK2S-54048,PC-id_1111128,MCULE-4578092085,SPECS-id_AK-968/12164617,CoCoCo_153888,BAS-00924161,ZINC22_845145	480.299	FZBWZGJBAHLEKZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150781
BrC1=CC(=CNNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C(=O)C=C1	PC-id_6818320	480.332	ZGJQFLXTCNGJTD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-150782
Brc1cc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_3358632	480.332	RZRRLJHBLWSCBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150783
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C/c1c(ccc(c1)Br)O	PC-id_135615973	480.332	DAJHXBFLKUEGQL-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150784
n12nc(nc1sc(=Cc1c[nH]nc1c1ccccc1)c2=O)COc1ccc(cc1)Br	MCULE-1682039342	480.337	VXCDRXPENQGEDC-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-150785
CCCN(CCC)C(=O)C1=NN(C2=C1C([C@@H](C2)C)C)CCC3CCC(CC3)OC4=C(C=CC=N4)C	PC-id_153565319	480.346	ODBZFVDSPYRQMK-CIBMOVPQSA-N	00000010100010101001000010000000000000000000000000000000	25-01-150786
CCOC(=O)c1c2N(C[C@H](n2nc1Br)COCc1ccccc1)C(=O)OC(C)(C)C	PC-id_135360590,SCHEMBL20538946	480.352	AQHRSLWYRXHFRO-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150787
CCOC(=O)c1c(Br)nn2c1N(CC2COCc1ccccc1)C(=O)OC(C)(C)C	SCHEMBL18758632	480.352	AQHRSLWYRXHFRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150788
C1Cc2nnc(n2C1C(=O)NCc1cc(ccc1)Cl)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134796115	480.368	RJGVSZYGQZAKID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150789
C1Cc2nnc(n2C1C(=O)NCc1ccccc1Cl)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134796912	480.368	MPTXMCPEEDATEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150790
C1Cc2nnc(n2C1C(=O)NCc1ccc(cc1)Cl)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134798095	480.368	WKTYTZVTRQDDOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150791
Brc1c(OCC2OCCC2)ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_17131687	480.372	GKYDMXIBTHEPLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150792
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OC)sc2c(CCC2)c1C(=O)OCC	PC-id_3615589,MCULE-5163245959	480.372	LCRMWAOYALUJIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150793
CCOC(=O)c1c(NC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)sc2CCCc12	PC-id_1701629,EMOLS-id_327836825	480.372	LCRMWAOYALUJIM-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150794
Brc1ccc(NC(=O)CN(C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)nc1	PC-id_56482427	480.379	OXXZAYPVJBDVHG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150795
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N	PC-id_3656652	480.381	AIBYYGNYBVPCQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150796
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3cccc(Cl)c3Cl)o2)sc2c1CCC2	PC-id_1612911,ZINC22_1838683	480.387	JDQAIZXJEGHZNU-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-150797
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCC2	ZINC22_57316554,PC-id_17334538	480.387	MLYNNMSMKKRIAC-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-150798
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2	PC-id_17334672,ZINC22_57316628	480.387	KOAYNNUFYVTMSJ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-150799
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3cc(Cl)ccc3Cl)o2)sc2c1CCC2	PC-id_4505661,ZINC22_16385228	480.387	KXLNIZGYNMKNHJ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-150800
Brc1cc(c(OC)cc1)C=CC(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)N	PC-id_4505181	480.399	ABHUOAGINABQFZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150801
Brc1cc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c(OCCOC)cc1	PC-id_17357642	480.399	BIWOLUGJMFWLIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150802
Brc1c(OCCOC)ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	PC-id_17357019	480.399	XYYKPISQUWSIBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150803
COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	PC-id_6132252,ZINC22_16226455	480.399	ABHUOAGINABQFZ-VMPITWQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150804
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)N)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	SCHEMBL19900781,PC-id_134285088,BindingDB-id_799423	480.412	XROYCQDNIMLIGQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150805
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)C(=O)N	PC-id_139507448,BindingDB-id_980747,SCHEMBL21378313	480.412	GVZSJAOVRYSWBJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150806
Brc1cc(C(CC)C)ccc1OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_17189493	480.415	MQOHVLNGYBUHFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150807
Brc1cc(C(C)(C)C)ccc1OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_17350107	480.415	SVHJKGJTONIYQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150808
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCC(C)C)cc1	PC-id_17350728	480.415	XTEAWAVRNGVCFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150809
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCCCCC)cc1	PC-id_17343367	480.415	GOHRTQHBZAWMSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150810
Brc1c(OCCCCCC)ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_4959463	480.415	UEQPGZQNMZLDRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150811
Brc1c(OCCC(C)C)ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_17339362	480.415	OWUXOGLKZLCBMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150812
CCCCCCCCC(C[N+]1([O-])Cc2c(C1=O)c(sc2Br)Br)CC	PC-id_118468523,SCHEMBL17201478	481.285	LGDJLNCIKCKXGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-151033
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)C)sc2c(CCC2)c1C(=O)OC	MCULE-7731943925,PC-id_19206264	480.415	IGCMSHZYWJPXAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150813
c1(NC(=O)CCCOc2ccc(cc2Br)CC)sc2c(CCC2)c1C(=O)OCC	PC-id_1701632,MCULE-4102757989,EMOLS-id_327835357	480.415	KWBPDPGYEOUZSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150814
c1(NC(=O)COc2ccc(cc2C(C)(C)C)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_1672585,MCULE-4487948122	480.415	AJCAMTFBCNANFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150815
c1(NC(=O)COc2cc(C)c(cc2C(C)C)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_1701636,MCULE-8284129753	480.415	LYYWKLBDFYUJSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150816
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(=O)NCCC)C1	PC-id_44052903	480.427	TZHTXQHGAYJAFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150817
FCc1ccc(cc1)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL18031617,PC-id_122501628	480.445	MRTXPHHKKGYQLS-XMMPIXPASA-N	00000010100000110001100010000000000000000000000000000000	25-01-150818
FCc1ccc(cc1)OCc1nnn(c1)c1cccc(c1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL18031640,PC-id_122501650	480.448	VPQPUHIEAHKUTA-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150819
FCc1cccc(c1)OCc1nnn(c1)c1cccc(c1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL18031673,PC-id_122501680	480.448	BYLZDLCPHSZOSZ-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150820
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)Nc1c(Cl)cccc1Cl	PC-id_140882909	480.463	YFVPHDULFMCHQI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-150821
Cc1ccc(cc1)C(NC(=O)c1c(nn2c1N(CC2)CC1=CCCC(=C1)C(F)(F)F)C(F)F)C	PC-id_145296937	480.474	DAGVVVMMWNGTET-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-150822
O=C(c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)NC1=CC=C1	PC-id_67300783,SCHEMBL2162621	480.475	UIAVSSGSMHINFC-UHFFFAOYSA-N	00001110100000110000000010000000000000000000000000000000	25-01-150823
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4774850981,EMOLS-id_334332833	480.493	OFQGCQSJLBRTNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150824
CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2OC)cc1	ZINC22_256055295,PC-id_117588547	480.493	AZPZZYBWXNELMR-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150825
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccc(cc1)C(=O)OCC)c2=O	MCULE-1259906591	480.493	AZPZZYBWXNELMR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150826
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)NC(=O)C)sc2CCCc2c1C#N	EMOLS-id_333645215,MCULE-8052671773	480.496	ZSQUANPSWIFQIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150827
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(c2)NC(=O)C)sc2CCCc2c1C#N	MCULE-2784381668,EMOLS-id_333648016	480.496	GYIZYKBNBSNOQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150828
c1(NC(=O)COc2nonc2C(=O)Nc2c(C)ccc(NC(=O)C)c2)sc2CCCc2c1C#N	EMOLS-id_333679864,MCULE-5069301688	480.496	DINRGOBKBPINQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150829
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)O	SCHEMBL20350517,PC-id_135197219	480.5	JOMKBAVKLNGNJM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150830
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)O	SCHEMBL20354006,PC-id_135200419	480.5	SLQAHTZLHUMSAP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150831
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2ncccn2)sc2CCCc2c1C#N	EMOLS-id_333663947,MCULE-7867587937	480.5	QRYIABWJEOVLAB-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-150832
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CN(C1)CCO)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484640,PC-id_135315199	480.51	MBRDXEHHHYJOBM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150833
Fc1cc(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)ccc1F	PC-id_71718391	480.51	XMJAOAJLNRSSRG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150834
Fc1cc(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)cc(F)c1	PC-id_71654883	480.51	ZGAKGWJENDFEIU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150835
Fc1c(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)ccc(F)c1	PC-id_71720832	480.51	LJJPWRSDNSQJKK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150836
Fc1c(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)cc(F)cc1	PC-id_71718390	480.51	WMIUADIDPLBRMB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150837
Fc1c(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)c(F)ccc1	PC-id_71717782	480.51	KNAMPRXSXRYFIE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150838
OCCN1CC(C1)(F)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL20484639	480.51	MBRDXEHHHYJOBM-HXUWFJFHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-150839
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(OC(F)F)cc1)C(=O)N	PC-id_46621216	480.511	XEZFJBFFFJTGBP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150840
COc1ccc(OC2CCN(c3ccc(OC[C@@]4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)CC2)cc1	CHEMBL374222,SCHEMBL15472881,PC-id_6483582	480.513	HFGFXADTXQORAA-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-150841
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(Oc3ccc(OC)cc3)CC2)cc1)C	PC-id_78413384	480.513	HFGFXADTXQORAA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150842
COc1ccc(cc1)C(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)N(c1ccc(cc1)C)C=O	PC-id_141257339	480.515	QEWFAWFHYOQLLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150843
COc1ccc(cc1)C(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)NC(=O)Cc1ccccc1	PC-id_141257369	480.515	USTWIDLCHBBYLZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150844
COc1ccc(cc1)N(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)C)C(=O)c1ccccc1)C=O	PC-id_141257329	480.515	HWLHZXHIQUSEIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150845
Fc1ccc(cc1NC(=O)c1cc2c(s1)CCC2O)c1n[nH]c(=O)c(c1)Nc1nn(c(c1)C)C	SCHEMBL2492502,PC-id_58540414	480.515	UZOOTBYQDIUPLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150846
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)COc1ccccc1	MCULE-1396993532	480.516	FTPZZGPNXNWLCI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-150847
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(c2ccccc2)cn1)CC(F)(F)F)C(=O)N	PC-id_56236444	480.526	SVAYKGGSLGSNDY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150848
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(=O)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4220254519	480.533	VTKUCJMWYIVJFB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150849
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)ccc1OC(=O)C	EMOLS-id_334336681	480.533	VTKUCJMWYIVJFB-PKNBQFBNSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150850
NC(=O)c1c(NC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)sc2c1CCC2	CoCoCo_2993126,PC-id_2115801,ZINC22_2652457,EMOLS-id_3223286,MCULE-2147994072	480.533	WGJKQSFDWBMNCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150851
O=C(C(c1ccccc1)OC(=O)c1c(sc2c1CCC2)NC(=O)c1ccco1)N1CCOCC1	EMOLS-id_19639518,PC-id_24470694,MCULE-8401143767	480.533	FISRTEIBGFPBEN-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-150852
O=C(Nc1sc2c(c1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1)CCC2)c1ccco1	CoCoCo_4018431,ZINC22_17719171,PC-id_27722014	480.533	FISRTEIBGFPBEN-OAQYLSRUSA-N	00000010101010110001000010000000000000000000000000000000	25-01-150853
O=C(Nc1sc2c(c1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1)CCC2)c1ccco1	CoCoCo_4018432,ZINC22_17719173,PC-id_27722015	480.533	FISRTEIBGFPBEN-NRFANRHFSA-N	00000010101010110001000010000000000000000000000000000000	25-01-150854
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OCc2ccccc2)cc1)C(=O)N	PC-id_45622615	480.533	ZBEOISMNPDVSRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150855
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(OCCOc2ccccc2)cccc1)C(=O)N	PC-id_35727147	480.533	FABLIECWOPONLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150856
CN(C[C@@](c1ccccn1)(OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C)C	PC-id_143492467	480.535	YRLRYURRCRMCIW-VWLOTQADSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150857
CN(CC(c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)Cc1ccc(cc1)F)C	SCHEMBL1205769,PC-id_66941595	480.535	PYYGLWYJHDGFPM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150858
CN(C[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)Cc1ccc(cc1)F)C	SCHEMBL1205767,PC-id_58015677	480.535	PYYGLWYJHDGFPM-HXUWFJFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-150859
CN(C[C@H](Cc1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_143492496	480.535	ZJKZWYFRXUIIJZ-IBGZPJMESA-N	00000010100000111001000010000000000000000000000000000000	25-01-150860
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331925791,MCULE-3328990886	480.536	NXFXBDKUSNVWRU-UHFFFAOYSA-N	00001010101000101000000010000000000000000000000000000000	25-01-150861
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(Nc2ccc(OCC)cc2)nccc1)C(=O)N	PC-id_42967386	480.536	JSXYKYZTFCEQAE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150862
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)C(=O)c1occc1	PC-id_16947831	480.536	SDWNIGFZXQSAJH-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-150863
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1c(OC)ccc(NC(=O)C)c1	PC-id_16947965	480.536	UTZIEEACQACHIC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150864
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(NC(=O)C)cc1	PC-id_16948117	480.536	VWZFEGBFDOJQGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150865
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(NC(=O)C)ccc1	PC-id_16948116	480.536	BYBVZUCJTRRCRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150866
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(=O)OC)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053610	480.536	RLOLIZJCNDGNAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150867
c1(NC(=O)COc2nonc2CC(=O)N(CC)CCc2ccncc2)sc2CCCc2c1C#N	MCULE-1646360231,EMOLS-id_333689640	480.539	IYBOKACYPPFQOV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-150868
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)N(CC)CC)sc2CCCc2c1C#N	MCULE-4048077950,EMOLS-id_333677048	480.539	LFZLTDRVGQNPPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150869
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nnc2C)C(C)(C)C)c1ccc(cc1)S(=O)(=O)NC	PC-id_89330955	480.546	HGJKCCUAIGCRKM-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-150870
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)Cc1ccc(cc1)C(F)(F)F	MCULE-4234522428,PC-id_24508659	480.546	HTRVQIIBOIZFDL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150871
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1	PC-id_30737418,CoCoCo_4249515,CoCoCo_4249514,ZINC22_22930993	480.546	HTRVQIIBOIZFDL-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150872
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1	PC-id_30737422,ZINC22_22930996,CoCoCo_4249513,CoCoCo_4249512	480.546	HTRVQIIBOIZFDL-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150873
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1cc(ccc1)C(F)(F)F)C)C(=O)N	PC-id_46631312	480.546	SRJJTCVWTPSHBX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150874
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCC)sc2CCCc2c1C#N	MCULE-7803702360,EMOLS-id_332712262	480.554	LKMHGEDZTPODMY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150875
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332714564,MCULE-8307226698	480.554	SIRODTSCCLYJQE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150876
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCC)sc2CCCc2c1C#N	EMOLS-id_332709959,MCULE-5644488022	480.554	BRDDHKUBAFSGCS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150877
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331926802,MCULE-9710797812	480.554	ZHRAQGWIFQGVEU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150878
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccccc2F)sc2CCCc2c1C#N	EMOLS-id_331929887,MCULE-7576255844	480.554	XBZRJVXHJAYLHC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-150879
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1C[C@H]([C@H](C1)O)O)(C(=O)NO)S(=O)(=O)C	PC-id_137440931,SCHEMBL20678238	480.554	VHKCKSHDEKAHRF-IKHGOWLBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150880
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1C[C@H]([C@H](C1)O)O)(C(=O)NO)S(=O)(=O)C	PC-id_137440933,SCHEMBL20678241	480.554	VHKCKSHDEKAHRF-FWNXHYASSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150881
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1C(CO)O)(C(=O)NO)S(=O)(=O)C	PC-id_137440972,SCHEMBL20678284	480.554	WAYORNCBMFEGAD-KFYNSZQNSA-N	00100010100000000000000010000000000000000000000000000000	25-01-150882
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1C(CO)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678286,PC-id_137440974	480.554	WAYORNCBMFEGAD-ORLHQXTGSA-N	00100010100000000000000010000000000000000000000000000000	25-01-150883
COc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N1CCOCC1	MCULE-2049458795,CoCoCo_2840815,PC-id_4855409,EMOLS-id_2881422,ZINC22_9666637	480.554	OVQYPDGLGBGKLT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150884
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@@H]1C[C@H]([C@H](C1)O)O)C	SCHEMBL20678240	480.554	VHKCKSHDEKAHRF-DBDYQOSUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150885
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41273993	480.554	IBEPGQWBQCHXMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150886
s1c2c(CCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41324354	480.554	LVSVTEVPBBKOSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150887
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(ccc(S(=O)(=O)NCC)c1)C)C(=O)OC	PC-id_24379584	480.554	WCFMNPYTDPKGRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150888
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC	PC-id_5258501	480.554	QOWGLNMHEWLDBY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150889
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)C(=O)OC	PC-id_41572716	480.554	UCTXQIBWEXUBSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150890
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1)C(=O)OCC	PC-id_16521003	480.554	FNEHFFGXPTZZJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150891
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NCC)ccc1)C(=O)OCC	PC-id_41572216	480.554	KSHAEGMOXKVHHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150892
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1)C(=O)OC	PC-id_41199225	480.554	IREDUWGNXHZJJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150893
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_16947194	480.554	UGLUARDCIUQFOQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150894
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cc(OC)ccc1	PC-id_16947322	480.554	LGZCODPNVREUQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150895
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)c1c(OC)cccc1	PC-id_16947195	480.554	IBGNQXWEPKRJPI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150896
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)c1ccc(F)cc1	PC-id_16947828	480.554	ZKHSFVTWDHOCOW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150897
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_16947827	480.554	QEYDTRCTEXVCMD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150898
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1cnc(s1)C(O)(C)C)C	SCHEMBL18729908,PC-id_118368765	480.558	KYPCNXSNBMFITR-HXUWFJFHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150899
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1cnc(s1)C(O)(C)C)C	SCHEMBL18729909	480.558	KYPCNXSNBMFITR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150900
CCOC(=O)c1c(sc2c1CCC2)NC(=O)CSc1nc(c(c(=O)[nH]1)C#N)c1ccccc1	PC-id_135443196	480.559	UFRQIJODFQCJOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150901
NC(=O)c1c(NC(=O)CSc2nnc(c3cccnc3)n2Cc2ccco2)sc2c1CCC2	MCULE-4271053955,EMOLS-id_11786113,PC-id_16342855,CoCoCo_3640659,ZINC22_14128684	480.563	HAFBACFOSCQJCK-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-150902
CC[C@H](Cn1nc2c(c1)CN(C2)C(=O)c1cc(ccc1N1CCC(CC1)(F)F)S(=O)(=O)C)C	PC-id_118479315,SCHEMBL17214163	480.571	HIZBRLXXEDHBDY-MRXNPFEDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150903
CCOC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccc(F)cc2)sc2CCCc12	PC-id_16861561,EMOLS-id_8858195,MCULE-6878214289	480.573	PCZMGLIBCRQPIB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150904
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)sc2c1CCC2	CoCoCo_6587477,PC-id_40444580,ZINC22_2800481	480.573	PCZMGLIBCRQPIB-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150905
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)sc2c1CCC2	PC-id_40444581,CoCoCo_6587478,ZINC22_2800482	480.573	PCZMGLIBCRQPIB-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150906
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(F)cc1	PC-id_41825825	480.573	ZLFXMUDZHMYUJU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150907
c1(c2CCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1ccc(cc1)C(=O)OCC	CoCoCo_2720381,MCULE-3321851552,PC-id_5081693,EMOLS-id_16406118,CHEMBL1401902	480.576	YWULFSNNKMSYHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150908
c1(c2CCCc2sc1NCc1cc(OC)ccc1OC)C(=O)Nc1ccc(cc1)C(=O)OCC	EMOLS-id_16406120,CHEMBL1534955,CoCoCo_2720383,MCULE-4698243268,PC-id_4231451	480.576	DECDBJKSGBMSEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150909
c1(c2CCCc2sc1N=Cc1cc(OC)c(cc1OC)OC)C(=O)Nc1ccccc1OCC	MCULE-6292542122,PC-id_4422411	480.576	APCAIRYUVFMFNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150910
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331810,MCULE-3748225971	480.576	HKDSLMNDCLDYLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150911
CCOc1ccccc1NC(=O)c1c2CCCc2sc1/N=C/c1cc(OC)c(OC)cc1OC	CoCoCo_6728550,PC-id_9670047,ZINC22_15945633,EMOLS-id_46413563,TIMTEC57393	480.576	APCAIRYUVFMFNK-JFLMPSFJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150912
CCOc1ccccc1NC(=O)c1c(/N=Cc2cc(OC)c(cc2OC)OC)sc2c1CCC2	CoCoCo_6728551	480.576	APCAIRYUVFMFNK-DICXZTSXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150913
CCOC(=O)c1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C(=O)OCC)c1C	MCULE-6645732575,EMOLS-id_328222583	480.576	UKLIKEHIEDWBKB-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-150914
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCCC(=O)Nc1nc2CCCc2s1	MCULE-9439454801,EMOLS-id_323361510	480.576	YERAYTJTLAGVDB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150915
NC(=O)c1c(NC(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)sc2c1CCC2	ZINC22_729481358	480.576	AJSPRRKSROHSGP-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150916
NC(=O)c1c(NC(=O)CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)sc2c1CCC2	ZINC22_729481360	480.576	AJSPRRKSROHSGP-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-150917
s1c2c(CCC2)c(c1N=Cc1c(OC)c(OC)c(OC)cc1)C(=O)Nc1c(OCC)cccc1	PC-id_3474168	480.576	XZGSRFAYTBLJKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150918
s1c2c(CCC2)c(c1/N=C/c1c(OC)c(OC)c(OC)cc1)C(=O)Nc1c(OCC)cccc1	PC-id_9622246	480.576	XZGSRFAYTBLJKN-JFLMPSFJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150919
s1c2c(CCC2)c(c1NC(=O)c1occc1)C(=O)OC(C(=O)Nc1c(C(CC)C)cccc1)C	PC-id_42982469	480.576	SAVOFRVSISWUMJ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150920
CCOC(=O)c1c(NC(=O)[C@@H](Nc2ccc(c(c2)OC)[N-]S(=O)(=O)C)C)sc2c1CCC2	GD-id_ZINC27023589	480.578	ZCQDCHBUPTXQPA-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150921
c1(NC(=O)c2[nH]nc(c3ccc(c(C)c3O)C)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7742133676,PC-id_135785467	480.579	BDWSLBRCGZJCLB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150922
c1(NC(=O)c2[nH]nc(c3c(C)cc(cc3O)C)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_135785407,MCULE-5465629277	480.579	OKXIBABYADKMEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150923
c1(NC(=O)c2[nH]nc(c3cc(CC)ccc3O)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_135634702,SPECS-id_AS-871/43475266,EMOLS-id_9409079,TIMTEC298658,MCULE-5530998657	480.579	LWWXAFYCZCFLLF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150924
c1(NC(=O)c2[nH]nc(c3cc(C)cc(C)c3O)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_135785436,MCULE-5682521691	480.579	VZDFJYFSDLAJMZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150925
c1(NC(=O)c2[nH]nc(c3c(O)cc(c(C)c3)C)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4921551686,PC-id_135785499	480.579	CJCFYQJQDSAPDX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150926
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccco2)sc2CCCc2c1C#N	MCULE-6325186721,EMOLS-id_331928336	480.579	STPXGHKNGQABII-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-150927
CCc1ccc(O)c(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)[nH]n2)c1	PC-id_135948654,ZINC22_27663705,CoCoCo_6330390,CoCoCo_6330392	480.579	LWWXAFYCZCFLLF-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150928
CCc1ccc(O)c(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)[nH]n2)c1	ZINC22_27663703,CoCoCo_6330389,CoCoCo_6330391,PC-id_135948653	480.579	LWWXAFYCZCFLLF-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-150929
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=CC(=CC2=O)C)C)/NN1)C(=O)NCC1OCCC1	PC-id_19131143	480.579	KJHSYSCMWKFBJU-FXBPSFAMSA-N	00000011100011000001100010000000000000000000000000000000	25-01-150930
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(C(=CC2=O)C)C)/NN1)C(=O)NCC1OCCC1	PC-id_19131265	480.579	DCWCGFFQUYOJPU-ZCXUNETKSA-N	00000011100011000001100010000000000000000000000000000000	25-01-150931
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C=C(CC)C=CC2=O)/NN1)C(=O)NCC1OCCC1	PC-id_17013048	480.579	GUYKMHYHRCPGLO-ISLYRVAYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-150932
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(CC)C=CC2=O)/NN1)C(=O)NCC1OCCC1	PC-id_19131073	480.579	GUYKMHYHRCPGLO-ZCXUNETKSA-N	00000011100011000001100010000000000000000000000000000000	25-01-150933
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C=C(CC)C=CC2=O)NN1)C(=O)NC[C@H]1OCCC1	PC-id_35043157	480.579	GUYKMHYHRCPGLO-HNNXBMFYSA-N	00000011100011000001100010000000000000000000000000000000	25-01-150934
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C=C(CC)C=CC2=O)NN1)C(=O)NC[C@@H]1OCCC1	PC-id_35043159	480.579	GUYKMHYHRCPGLO-OAHLLOKOSA-N	00000011100011000001100010000000000000000000000000000000	25-01-150935
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C(=CC(=C2)C)C)/NN1)C(=O)NCC1OCCC1	PC-id_19131188	480.579	XYMUKDKNBIEBHT-ZCXUNETKSA-N	00000011100011000001100010000000000000000000000000000000	25-01-150936
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C(=C(C=C2)C)C)/NN1)C(=O)NCC1OCCC1	PC-id_19131225	480.579	ITBJRPHSJCUASQ-VLGSPTGOSA-N	00000011100011000001100010000000000000000000000000000000	25-01-150937
S1Cc2c(nn(c2NC(=O)c2ccc(OC(C)C)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053534	480.579	LPBXXKVPVIDTHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150938
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053403	480.579	PIMFGDVEKKBJNS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150939
S1Cc2c(nn(c2NC(=O)Cc2ccc(OCC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053579	480.579	GFSFJXBKDJNHLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150940
S1Cc2c(nn(c2NC(=O)Cc2cc(OC)c(OC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053865	480.579	KEHDROFUBVFMCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150941
S1Cc2c(nn(c2NC(=O)CCc2ccc(OC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053597	480.579	LRJWTABLENZXFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150942
S1Cc2c(nn(c2NC(=O)COc2ccc(OCC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053858	480.579	FWACYFBDPZWSLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150943
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_331933458,MCULE-2272047000	480.583	OSNFSCUIYZQOPE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-150944
CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	PC-id_68984179,SCHEMBL4279238	480.583	JOTHYDQHHFNKGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150945
CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24751605,SCHEMBL4279231	480.583	JMSQOSCBAKZLHF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150946
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)C	PC-id_24752166,SCHEMBL4278099	480.583	GFBPJHHWXQCWSQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150947
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(cc1)C	PC-id_24752167,SCHEMBL4281352	480.583	TXJSLGZQXOHUBH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150948
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1C	SCHEMBL4279698,PC-id_24752165	480.583	ASYMYXHQTPYUPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150949
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)Cc1ccccc1	SCHEMBL4280809,PC-id_24751604	480.583	HQLDRLKQYOVSTC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150950
CN1CCN(CC1C)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	PC-id_68986565,SCHEMBL4284769	480.583	CABCGHJZEQWUDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150951
CN1CCN(CC1C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24751880,SCHEMBL4284767	480.583	CGLDGMRLSKAYFR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150952
O=C(c1ccc(cc1)N1CCNCC1)Nc1nn(c2c1CNC2(C)C)S(=O)(=O)c1ccccc1	SCHEMBL4278042,PC-id_24750903	480.583	BUOOJXBTZDZJHE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150953
O=C(c1ccc(cc1)N1CCNCC1)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1	PC-id_68983773,SCHEMBL4278035	480.583	UCGSVRKIZITKOT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150954
c1(C(=O)N2CCC(CC2)C(Cc2ccccc2F)N(C)C(=O)c2cccs2)c2CCCc2[nH]n1	ChEMBL-DNDi_CHEMBL23003425,PC-id_45187590,EMOLS-id_20474043,MCULE-9066382428	480.597	VHLWJSRIYVZPKR-UHFFFAOYSA-N	00000010100110110001000010000000000000000000000000000000	25-01-150955
CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	CoCoCo_1234256,PC-id_42164736,ZINC22_11784576,CoCoCo_1234258	480.597	VHLWJSRIYVZPKR-QFIPXVFZSA-N	00000010100110110001000010000000000000000000000000000000	25-01-150956
CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_11784577,PC-id_42164737,CoCoCo_1234255,CoCoCo_1234257	480.597	VHLWJSRIYVZPKR-JOCHJYFZSA-N	00000010100110110001000010000000000000000000000000000000	25-01-150957
CCOC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408621285	480.598	OYUNCOSHCGPHGB-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150958
CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408621288	480.598	OYUNCOSHCGPHGB-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150959
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCc1oc(S(=O)(=O)N(C)C)cc1	PC-id_56010149	480.598	HUECEPXSOSPWNI-UHFFFAOYSA-N	00000010101010000000000010000000000000000000000000000000	25-01-150960
CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCC2	ZINC22_14274282,PC-id_17113652	480.599	MCUADFMOLOEETI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150961
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCC2	PC-id_17113564,ZINC22_14274196	480.599	UIKMPFSHGLVPMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150962
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)C(=O)OC	PC-id_4956856	480.599	YPDLDCVORKTPOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150963
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCc2ccccc2)ccc1)C(=O)OC	PC-id_17134618	480.599	BLVNFZSWRLJWQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150964
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCc2ccccc2)cccc1)C(=O)OC	PC-id_19628397	480.599	GNWGQGWSXDOUTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150965
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	EMOLS-id_2710708,MCULE-8628092475,PC-id_4623700,CoCoCo_2666511	480.601	XJAGIGZYBFPBJF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150966
CCOC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cnn(C)c2C)sc2CCCc12	PC-id_17024895,EMOLS-id_4160397,MCULE-5737924955,TIMTEC220866	480.601	IODWWCHKGSAMMN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150967
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)sc2c1CCC2	CoCoCo_6593698,PC-id_40433482,ZINC22_2732212	480.601	IODWWCHKGSAMMN-AWEZNQCLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150968
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)sc2c1CCC2	CoCoCo_6593699,PC-id_40433483,ZINC22_2732213	480.601	IODWWCHKGSAMMN-CQSZACIVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-150969
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCC)sc2CCCc2c1C#N	MCULE-6915589511,EMOLS-id_331786429	480.602	ONRAEXIVNNTAFQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150970
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-4701734971,EMOLS-id_331790779	480.602	XXPACWYQWLDUGX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150971
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_331790001,MCULE-6985968498	480.602	QQNUWHRMYUFWIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150972
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331790005,MCULE-6764146396	480.602	WCGPFSHOGYCSQP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150973
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)CC1CCOCC1	PC-id_59508233,SCHEMBL6378511	480.602	RMRULEITVVBDGK-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-150974
N#Cc1c(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)sc2c1CCC2	EMOLS-id_11776685,MCULE-4617709845,PC-id_16336443,ZINC22_9580378,CoCoCo_4308577	480.606	NLQWDEILNWNDDE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-150975
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9946039564,EMOLS-id_334337707	480.619	JHCWCABJMCWOEK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-150976
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328739,PC-id_19114745,MCULE-7547311199	480.621	AFERSLCJNKKAMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-150977
c1(NC(=O)COc2cccnc2NC(=O)C2CCC(CCCC)CC2)sc2c(CCC2)c1C#N	EMOLS-id_321802366,MCULE-6107863118	480.622	ZJFVMUKTJAOSHI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-150978
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331925012,MCULE-5738770474	480.622	QWDMTIAWXFSVID-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-150979
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCC2=CCCCC2)sc2CCCc2c1C#N	EMOLS-id_331932176,MCULE-2499555173	480.622	BIMQFYYVDZKWAE-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-150980
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCC)sc2CCCc2c1C#N	EMOLS-id_331920409,MCULE-4215101268	480.622	VKXOWLARDCQZHB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150981
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CC(C)C)sc2CCCc2c1C#N	MCULE-1012618090,EMOLS-id_331920405	480.622	XLIQOLGJZCOQRP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-150982
s1c2c(CCC2)c(c1NC(=O)CCN1CCCN(CC1)C(=O)CCc1ccc(OC)cc1)C#N	PC-id_56361190	480.622	PVBDHBWMDKYNEN-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-150983
CCN(CC)c1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324833011	480.624	UKEXESGAODGBSK-XHPQRKPJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150984
n12nc(nc1sc(=Cc1ccc(cc1)N(CC)CC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-6981535525	480.624	UKEXESGAODGBSK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150985
NC(=O)c1c(NC(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)sc2c1CCC2	MCULE-9850475397,PC-id_17559959,CoCoCo_4182434,EMOLS-id_13445310,ZINC22_8707768	480.624	RPTORFATOLXHCT-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-150986
O=C(Nc1sc2c(c1C(=O)N)CCC2)C[N@H+](Cc1c(C)nn(c1C)[C@@H]1CCS(=O)(=O)C1)C	GD-id_ZINC09502833,PC-id_41099107	480.624	RJRMTYOWLAFFIC-CQSZACIVSA-O	00000010100000000001100010000000000000000000000000000000	25-01-150987
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)C2CCCC2)nn1)C(=O)OCC	PC-id_24105997	480.624	FTIUKIFDBJJNLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150988
S1(=O)(=O)C[C@@H](n2nc(c(c2C)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)CC1	PC-id_41099109	480.624	RJRMTYOWLAFFIC-AWEZNQCLSA-O	00000010100000000001100010000000000000000000000000000000	25-01-150989
S1(=O)(=O)CC(n2nc(c(c2C)C[NH+](CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)CC1	PC-id_74746676	480.624	RJRMTYOWLAFFIC-UHFFFAOYSA-O	00000010100000000001100010000000000000000000000000000000	25-01-150990
c1(NC(=O)CCCCCCCC(=O)Nc2sc3c(CCC3)c2C#N)sc2c(CCC2)c1C#N	MCULE-9426893421,CoCoCo_157535,SPECS-id_AN-153/I128480,TIMTEC434651,BAS-01023033,EMOLS-id_1298344,SPECS-id_AT-084/J159003,PC-id_3123946,ZINC22_6073489	480.645	RSSGAGYPNAIESK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-150991
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)C(N(C)C)CC)Cc1ccccc1)C#N	PC-id_24521486	480.649	DFSGJPXNPJAIPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-150992
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)C([Si](CC)(C)C)(C)C	PC-id_140817105	480.673	UMORECLNRLHEOA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-150993
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(c1ccccc1)OC1CC1	PC-id_140817115	480.675	SVBMTVQCLKCLTF-UHFFFAOYSA-N	00101010100000110001000010000000000000000000000000000000	25-01-150994
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)[C@@H](c1ccccc1)OC1CC1	PC-id_141487842	480.675	SVBMTVQCLKCLTF-HXUWFJFHSA-N	00101010100000110001000010000000000000000000000000000000	25-01-150995
CCCCCc1cc(CCCCC)c(c(c1)[Si](C1C(=Cc2c1sc(c2)C)C)(C)C)OCC=C	SCHEMBL2923707,PC-id_21880974	480.82	IHUTYLNCGGRNDF-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-150997
Clc1ccc(c(c1)C(=O)Nc1sc2c(c1C(=O)N1CC(C1)(F)F)C(OC2)C)C(F)(F)F	SCHEMBL2162416,PC-id_24772543	480.836	GPPJNGASWCVUIJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-150998
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F)c2=O	MCULE-4128920380	480.847	HSXBXHLOMJQGQB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-150999
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F)c2=O	MCULE-6760267814	480.847	NWVQGFBBMZELOA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151000
O=C(COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O)Nc1ccccc1C(F)(F)F	PC-id_117588405,ZINC22_256055631	480.847	NWVQGFBBMZELOA-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151001
O=C(COc1ccc(Cl)cc1/C=c/1sc2ncnn2c1=O)Nc1cccc(C(F)(F)F)c1	PC-id_117588408,ZINC22_256055459	480.847	HSXBXHLOMJQGQB-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151002
Cn1c(c2CCCc2n1)Nc1nccc(n1)c1cc(=O)n(cc1)C(CO)c1cc(c(cc1)F)Cl	PC-id_89795236,SCHEMBL15260639	480.922	XEZQZRBRAHTWGZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-151003
OC[C@@H](n1ccc(cc1=O)c1ccnc(n1)Nc1n(C)nc2c1CCC2)c1ccc(c(c1)Cl)F	SCHEMBL15245831	480.922	XEZQZRBRAHTWGZ-OAQYLSRUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-151004
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)C)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_2636622,TIMTEC221426,CoCoCo_2209681,MCULE-3908531935,ChEMBL-DNDi_CHEMBLD053-0256,ZINC22_16751848,PC-id_16436773	480.945	IOUWTIQSNYMNJL-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-151005
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1cn(nn1)C)C)Cl	SCHEMBL20252959,PC-id_134599058	480.947	XZMVMXHRUDZWMZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151006
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]c(n1)C)C)Cl	PC-id_134599014,SCHEMBL20252915	480.947	HKKVPFPROZSCPI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151007
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_20176570	480.955	IRDSAIQLFFAANS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151008
Clc1c(OCCC)c(OCC)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_45658430	480.962	BFOFBZBXSHGCHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151009
Clc1c(OC(C)C)c(OC)cc(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c1	PC-id_24498889	480.962	PYYPCNCOGREHLC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151010
COc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc(Cl)c1OCC(C)C	MCULE-3099026436,EMOLS-id_33884018,PC-id_41278706,ZINC22_9920789	480.962	BZLDXYPSIFSCHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151011
CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)/sc12	ZINC22_33376371	480.963	BHDBROLWXQEBEC-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151012
CCOC(=O)c1cc(n2c1sc(=Cc1ccc(cc1)N(C)C)c2=O)C(=O)c1ccc(cc1)Cl	EMOLS-id_26189053,MCULE-8265371987	480.963	BHDBROLWXQEBEC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151013
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Br	PC-id_164872283	480.977	NRAKEPFSGDMZHJ-CQSZACIVSA-N	00000010100100110001000010000000000000000000000000000000	25-01-151014
CNc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N	BindingDB_PC-id_44324372,CHEMBL419502,PC-id_44324372,BindingDB-id_154664	480.988	HGRMKJWYFOBMRR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151015
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCN(CC4)Cc4ccccc4)c3n2)cc1	PC-id_16947348	481.01	BLSANJRBMRYJCH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151016
Clc1ccc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(cc3)C)CC2)cc1	PC-id_16947635	481.01	IQCIPMUSXGASGB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151017
Clc1cc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(cc3)C)CC2)ccc1	PC-id_16947509	481.01	TYEBJGOQAFLELZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151018
Clc1c(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(cc3)C)CC2)cccc1	PC-id_16947508	481.01	CVDIRSDHRBNEEM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151019
CCS(=O)(=O)N1CCC(CC1)C(=O)Nc1sc2c(c1C(=O)c1ccc(cc1)Cl)CCC2	PC-id_112818824	481.028	VMOIWVGUCPEEKG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151020
c1(NC(=O)c2c(Cl)cnc(SC(C)C)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1961093155,SPECS-id_AS-871/43478121,ChEMBL-DNDi_CHEMBLD233-0751,TIMTEC178659,PC-id_16445973,EMOLS-id_9859456	481.031	GTBTUQVXWDTSIK-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-151021
c1(NC(=O)c2c(Cl)cnc(SCCC)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16435261,EMOLS-id_2637036,MCULE-6388921987,ChEMBL-DNDi_CHEMBLD054-0492,TIMTEC294913	481.031	LSQHCMYUSGQOFL-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-151022
CCCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)n1	CoCoCo_2210169,PC-id_41068003,ZINC22_9431832	481.031	LSQHCMYUSGQOFL-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-151023
CC(C)Sc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)n1	CoCoCo_6234386,PC-id_40871417,ZINC22_8916265	481.031	GTBTUQVXWDTSIK-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-151024
CCCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)n1	PC-id_41068004,ZINC22_9431833,CoCoCo_2210170	481.031	LSQHCMYUSGQOFL-GFCCVEGCSA-N	00000010100000100001000010000000000000000000000000000000	25-01-151025
CC(C)Sc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)n1	ZINC22_8916262,PC-id_40871414,CoCoCo_6234385	481.031	GTBTUQVXWDTSIK-LBPRGKRZSA-N	00000010100000100001000010000000000000000000000000000000	25-01-151026
CC1=C(C=NN1CCF)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4Cl	PC-id_164931886	481.099	GJRRDNRQUSGJLC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151027
CC1=C(C=NN1CCF)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4Cl	PC-id_164931907	481.099	GJRRDNRQUSGJLC-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151028
COC1=CC=CC=C1[C@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931947	481.123	KXTCQBWLTLWQDO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151029
COC1=CC=CC=C1[C@@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931964	481.123	KXTCQBWLTLWQDO-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151030
C/C(=CC(=C/C(=C)Cl)N1c2ncc(n2[C@](C1=O)(C)Cc1ccc(cc1)Br)C)/Cl	PC-id_142114473	481.213	JUDYQYXXDWUFIJ-LGETUQPHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151031
CCCCC(COCCCN1C(=O)c2c(C1=O)c(sc2Br)Br)CC	SCHEMBL18590831	481.242	GAJVVDPPUDRHTJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-151032
Clc1c(cc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2cc(Cl)c(F)cc2)cc1)C	PC-id_46872358	481.328	LSRAYWUXAOAUCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151034
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	CoCoCo_3156693,PC-id_25592133,ZINC22_12905419	481.352	AFFWCPGEKKYPFD-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151035
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	ZINC22_12905423,PC-id_25592135,CoCoCo_3156692	481.352	AFFWCPGEKKYPFD-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151036
Clc1c(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	MCULE-6087820037,PC-id_16388352,EMOLS-id_11861648	481.352	AFFWCPGEKKYPFD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151037
Clc1c(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)ccc(Cl)c1	PC-id_44053226	481.352	BPAMRVKDACIXPT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-151038
Brc1cc(OCCCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc1	PC-id_3919977	481.36	PMAGJNHLEDXRJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151039
Clc1c(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(Cl)c1	PC-id_37445950	481.395	HKHJTTQCQMYZQU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151040
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C)Cc1ccc(cn1)Br	SCHEMBL16224789,PC-id_117688948	481.406	PQSTYTKCCSZTCX-KRWDZBQOSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151041
Clc1cc(Cn2ncc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2)ccc1Cl	PC-id_20166716	481.419	DDJJHZBKFSNAHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151042
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)ccc1Cl	PC-id_20173435	481.419	LSXMZKXENZIULH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151043
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2)ccc(Cl)c1	PC-id_19679400	481.419	HDOWZZLXBPJIAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151044
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2)c(Cl)ccc1	PC-id_20167763	481.419	KCQBBLLDLNIQQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151045
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)ccc(Cl)c1	PC-id_20172844	481.419	RRFOXVBHHKNVLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151046
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2)c1	PC-id_20172667	481.419	GYEKVDFSXLYWBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151047
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OCC=Cc1c(cc(cc1F)F)F	PC-id_91167910	481.425	UYRZVZLXUYIQAE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151048
CC=CC1C(N(CCN1C(=O)O)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1c(cc(cc1F)F)F	PC-id_87925680	481.425	JHYFAZWNJVVLFX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151049
Fc1c(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2CC=C)C(=O)O)c(F)cc(F)c1	PC-id_69635495	481.425	ZAYCIZRGCWCTCZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151050
Fc1c(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN([C@H]2C=CC)C(=O)O)c(F)cc(F)c1	PC-id_69635499	481.425	JHYFAZWNJVVLFX-SBGRQLAYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151051
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(cc1)C(=O)OCCCC	PC-id_16947262	481.539	GQPRVLADMDQZNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151089
Fc1c(C=CCC2N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)c(F)cc(F)c1	PC-id_69635490	481.425	PFKCFZGXUYWAEX-YNNZGITBSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151052
Fc1c(C=CCC2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)c(F)cc(F)c1	PC-id_77713055	481.425	PFKCFZGXUYWAEX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151053
Cc1c(C(=O)C(=O)NC2(CC2)c2ccccc2)c2CCCn2c1C(=O)Nc1cc(F)c(F)c(F)c1	PC-id_134285239,BindingDB-id_799373,SCHEMBL19900953	481.466	JQWCEYRILZTJJD-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-151054
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC(F)F)cc1)C(=O)OC	PC-id_45624347	481.466	QWTYESHBKVIMEA-VQHVLOKHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151055
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC(F)F)cc1)C(=O)OC	PC-id_75122407	481.466	QWTYESHBKVIMEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151056
FC(F)(F)c1ccc(CCCC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081239,SCHEMBL5541523	481.468	AMSISQYGKAJRHO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151057
FC(F)(F)c1ccc(CCCC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69481182,SCHEMBL5541513	481.468	AMSISQYGKAJRHO-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151058
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2occc2)cc1)C(=O)OC	PC-id_19661393	481.478	MNLINSPPQZNVSY-WYMPLXKRSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151059
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2occc2)cc1)C(=O)OC	PC-id_73635827	481.478	MNLINSPPQZNVSY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151060
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2occc2)cccc1)C(=O)OC	PC-id_4671805	481.478	XKAQCVOWGHLESB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151061
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2occc2)cccc1)C(=O)OC	PC-id_9681964	481.478	XKAQCVOWGHLESB-WYMPLXKRSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151062
O=C(C1CCCCC1C(=O)O)Nc1sc2c(c1C(=O)Nc1ccc(nc1)C(F)(F)F)CCC2	PC-id_142393462	481.488	RPUFPTOZGSOIRX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151063
S1Cc2c(nn(c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053742	481.499	MDFOWQOAYVDBDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151064
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(C(F)(F)F)(C)C)C	BindingDB_PC-id_57523708,PC-id_57523708	481.511	NVGVXGWSXFIODS-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151065
FC(F)(F)C(C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)OC(CN(C)C)c1ccccc1)(C)C)(C)C	PC-id_76555285	481.511	NVGVXGWSXFIODS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151066
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C(F)(F)F)cn1)C(=O)OC	PC-id_20178516	481.514	ANWQJUCHJSYTKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151067
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(Cc1ccccc1)NC(=O)O	SCHEMBL14057345,PC-id_89238579	481.521	MGFUBFMMOCEECL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151068
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)CN(Cc1ccccc1)C(=O)O	SCHEMBL14057349,PC-id_89238583	481.521	WHQNTGKQOJBNJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151069
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)CNC(=O)OCc1ccccc1	PC-id_140601013	481.521	PPXCJVBXLALEEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151070
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8245047098	481.521	RLHGKJUJNHAPKD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151071
NC(=O)c1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)sc2c1CCC2	EMOLS-id_26044036,MCULE-9267090111,PC-id_16247979,ZINC22_13130993,CoCoCo_4959295	481.521	POQZUHKUCLERKL-INIZCTEOSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151072
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)[C@H](NC(=O)c1ccco1)Cc1ccccc1	CoCoCo_4959296	481.521	POQZUHKUCLERKL-MRXNPFEDSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151073
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)Cc1ccccc1)C(=O)N	PC-id_4844820	481.521	POQZUHKUCLERKL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151074
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(cc1)C(=O)OC	PC-id_16948054	481.521	UGAUBXIUJZAPMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151075
c1(NC(=O)COc2nonc2CC(=O)NCCc2ccc(OC)cc2)sc2CCCc2c1C#N	MCULE-2496976927,EMOLS-id_333683295	481.524	QFZNUZNDTGEIFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151076
c1(NC(=O)COc2nonc2CC(=O)N(CCO)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-6620468719,EMOLS-id_333690151	481.524	NKRDRRNCCWOZMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151077
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)OCCCC)sc2CCCc2c1C#N	EMOLS-id_333679094,MCULE-8316429124	481.524	ZLRAPMMQQILJHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151078
CCOC(=O)c1c(NC(=O)COC(=O)/C(=C/c2ccccc2)/n2nnnc2C)sc2c1CCC2	CoCoCo_3145298,ZINC22_9884295,PC-id_16270534	481.524	ROAHJJKPXIOWTL-ATVHPVEESA-N	00000010100000110001000010000000000000000000000000000000	25-01-151079
CCOC(=O)c1c(NC(=O)COC(=O)/C(=Cc2ccccc2)/n2nnnc2C)sc2c1CCC2	CoCoCo_3145299	481.524	ROAHJJKPXIOWTL-SFQUDFHCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151080
CCOC(=O)c1c(NC(=O)COC(=O)C(=Cc2ccccc2)n2nnnc2C)sc2c1CCC2	EMOLS-id_26053936,MCULE-9832947938,PC-id_72091573	481.524	ROAHJJKPXIOWTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151081
S1Cc2c(nn(c2NC(=O)c2c(c([N+](=O)[O-])ccc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053557	481.524	VJMWBWHCIHASQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151082
S1Cc2c(nn(c2NC(=O)c2cc([N+](=O)[O-])c(cc2)C)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053558	481.524	VPAKHYWBNCPGCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151083
S1Cc2c(nn(c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053581	481.524	NXAOBXJHMHOWOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151084
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_22199150	481.531	VRSOWCILCZPUSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151085
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C(=O)N	PC-id_26375877	481.534	BWNABCGLEWITFF-CYBMUJFWSA-N	00000010100000101101100010000000000000000000000000000000	25-01-151086
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C(=O)N	PC-id_26375880	481.534	BWNABCGLEWITFF-ZDUSSCGKSA-N	00000010100000101101100010000000000000000000000000000000	25-01-151087
s1c2c(CCC2)c(c1NC(=O)C(N1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C(=O)N	PC-id_24507179	481.534	BWNABCGLEWITFF-UHFFFAOYSA-N	00000010100000101101100010000000000000000000000000000000	25-01-151088
CCOC(=O)c1c(NC(=O)COC(=O)CSCC(=O)Nc2cc(C)on2)sc2c1CCC2	PC-id_16264486,EMOLS-id_3552007,ZINC22_9633183,MCULE-6980631908,CoCoCo_2895299	481.543	QPPASNGGBWLOJL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151090
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C)C(=O)N	PC-id_55927122	481.543	DOOJJJHKSZIVOV-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-151091
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)C)C(=O)N	PC-id_55323796	481.543	DOOJJJHKSZIVOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151092
N#Cc1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)sc2c1CCC2	EMOLS-id_43720822,PC-id_16277119,CoCoCo_2912415,ZINC22_9963018,MCULE-5224313451	481.544	RCWNLDGZQZQRBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151093
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1)C#N	PC-id_16519840	481.544	KIPOSJCJNSDZBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151094
s1c2c(CCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)Cc1ccc(cc1)C(F)(F)F)C)C(=O)N	PC-id_51626456	481.554	HTRVQIIBOIZFDL-CQSZACIVSA-O	00000010100010110001000010000000000000000000000000000000	25-01-151095
s1c2c(CCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)Cc1ccc(cc1)C(F)(F)F)C)C(=O)N	PC-id_51626457	481.554	HTRVQIIBOIZFDL-AWEZNQCLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-151096
s1c2c(CCC2)c(c1NC(=O)C(N1CC[NH+](CC1)Cc1ccc(cc1)C(F)(F)F)C)C(=O)N	PC-id_75743347	481.554	HTRVQIIBOIZFDL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-151097
s1c2CCCc2nc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)ccc1	PC-id_46564986	481.559	UAVWWFWKGJAHEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151098
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CCF)(C(=O)NO)S(=O)(=O)C	PC-id_137440894,SCHEMBL20678190	481.561	VXEYPHBUHWJKPM-OAQYLSRUSA-N	00001010100000000000000010000000000000000000000000000000	25-01-151099
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1CN([C@@H]1CF)C)(C(=O)NO)S(=O)(=O)C	PC-id_137440908,SCHEMBL20678206	481.561	CLAFSNYAFPRPNF-AVBTWRTFSA-N	00001010100000000000000010000000000000000000000000000000	25-01-151100
FC[C@H]1N(C)C[C@@H]1C#CC#Cc1cc2c(s1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL20678207	481.561	CLAFSNYAFPRPNF-FYNSKXJZSA-N	00001010100000000000000010000000000000000000000000000000	25-01-151101
FCCN1CC(C1)C#CC#Cc1cc2c(s1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL20678192	481.561	VXEYPHBUHWJKPM-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-151102
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_22200310	481.561	CUBDQSYTXNRYOX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151103
c1(NC(=O)c2cc(on2)c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_32790480,PC-id_16454855,MCULE-6182138565	481.564	YJKQSVXLSKYHAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151104
c1(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7944666158,EMOLS-id_334342562	481.564	QWIYXDXKWQJBHG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151105
CCCOc1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1OCC	EMOLS-id_324924940	481.564	ZBGWAMFIAGIIOA-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151106
CCCOc1ccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1OC	EMOLS-id_324890638	481.564	INKZHYIQKCVGHG-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151107
CCCOc1ccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1OC	EMOLS-id_324891141	481.564	MFRKDRZRGANKMZ-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151108
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(OCC)cc4)nn3c2=O)cc1OCC	EMOLS-id_324881926	481.564	CHRWCCAMMAPCAP-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151109
CCOc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)no2)cc1	PC-id_29766923,ZINC22_21786669,CoCoCo_6309212	481.564	YJKQSVXLSKYHAV-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151110
CCOc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)no2)cc1	ZINC22_21786672,CoCoCo_6309213,PC-id_29766926	481.564	YJKQSVXLSKYHAV-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151111
CCOc1ccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1OCC	EMOLS-id_324893709	481.564	MHWMLMGOKDVOOK-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151112
CCOc1ccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1OCC	EMOLS-id_324894212	481.564	YYZJRLVZERNRAL-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151113
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-7802754403	481.564	INKZHYIQKCVGHG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151114
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)CCCOc1ccc(cc1)OC	MCULE-3797552194	481.564	MFRKDRZRGANKMZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151115
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-1900498865	481.564	ZBGWAMFIAGIIOA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151116
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-1493418758	481.564	CHRWCCAMMAPCAP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151117
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9734686817	481.564	MHWMLMGOKDVOOK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151118
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)CCCOc1ccc(OC)cc1	MCULE-5904581377	481.564	YYZJRLVZERNRAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151119
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1)C(=O)N	PC-id_32032457	481.564	ODXWXDUEPWHZJQ-MDZDMXLPSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151120
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1)C(=O)N	PC-id_74620545	481.564	ODXWXDUEPWHZJQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151121
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCc1cc(OC)c(OC)cc1	PC-id_16947862	481.564	NSURQOWIUKTIER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151122
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCc1ccc(OC)cc1	PC-id_16948022	481.564	KEXQYEBAXOBKFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151123
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCc1cc(OC)ccc1	PC-id_16948094	481.564	RXGWPBFMKFZDRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151124
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCc1c(OC)cccc1	PC-id_16948020	481.564	RXOQJKJTPYBBNI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151125
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_45966299,ZINC22_16735845	481.566	KNJGLYGWKXGJFR-GSPJFCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151126
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1OCc1ccccc1	ZINC22_16735641,EMOLS-id_45964873	481.566	INSXYBRMVDXLOT-JZTDMZONSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151127
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)C	MCULE-9206670325	481.566	INSXYBRMVDXLOT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151128
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCc1ccccc1)c2=O)C=Cc1ccccc1	MCULE-8260268334	481.566	KNJGLYGWKXGJFR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151129
CN1CCC(CC1)Oc1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4283395,PC-id_68985910	481.567	UOKKJEGIVAGEGD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151130
CN1CCC(CC1)Oc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24751885,SCHEMBL4283390	481.567	KAEXJPDPSHLAKT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151131
O=C(c1ccc(cc1)N1CCOCC1)Nc1nn(c2c1CNC2(C)C)S(=O)(=O)c1ccccc1	SCHEMBL4278076,PC-id_68983784	481.567	YMJQPJJXZFLVPD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151132
O=C(c1ccc(cc1)N1CCOCC1)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1	SCHEMBL4278072,PC-id_24751042	481.567	GKVMHGZUDSDCPP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151133
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)N	SCHEMBL4285637,PC-id_24752590	481.571	YYEVEOJRBSNBFA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151134
CN1CCN(CC1)c1ccc(cc1N)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4279748,PC-id_68984371	481.571	IHSPESNVLVESDJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151135
CN1CCN(CC1)c1ccc(cc1N)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL4279743,PC-id_24750591	481.571	VQYLHSPQUBWMHJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151136
CC([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)[O-])SC1CC[n+]2c1cn(c2)C(Sc1nnn[nH]1)C)O	SCHEMBL10409055	481.572	QYRQLMSCKYTHGX-VAQHCZCCSA-N	00001011100000000001001010000000000000000000000000000000	25-01-151137
OC(=O)Cc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	SCHEMBL16224722,PC-id_117688901	481.586	XQTQPTZUMQTRGK-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151138
c1(C(=O)N2CCC(CC2)Oc2cccc(c2)CN2CCN(CC2)C(=O)OCC)c2CCCc2[nH]n1	ChEMBL-DNDi_CHEMBL51962544,CoCoCo_1425574,ZINC22_19336608,CoCoCo_1425575,PC-id_28139427,EMOLS-id_20604959,MCULE-3789083976	481.587	GYJXSLXXNJADOL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151139
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(C)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-5477787913,EMOLS-id_333773395	481.587	KGXVRCBMUUARTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151140
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCO)sc2CCCc2c1C#N	EMOLS-id_331789500,MCULE-9809166748	481.587	QHDBWSFYBHUXKU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151141
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)CC(=O)NCc1ccccc1	PC-id_89238447,SCHEMBL14057195	481.587	BZXSIUSVSCYTQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151142
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1	SCHEMBL14057631,PC-id_89238816	481.587	LNUHDSQIQDJBDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151143
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cccc(c1)NC(=O)CCc1ccccc1	PC-id_89236702,SCHEMBL14055195	481.587	VXVCCJHUEREQFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151144
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)CCc1ccccc1	PC-id_89237634,SCHEMBL14056272	481.587	YNQMKARLJIHRPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151145
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)Cc1ccc(cc1)NC(=O)Cc1ccccc1	PC-id_89236330,SCHEMBL14054684	481.587	WPCLIQWKJLSWCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151146
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccc1)C	SCHEMBL14056860,PC-id_89238160	481.587	JFWWJIKKQPPAAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151147
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	ZINC22_13165220,PC-id_25732094,CoCoCo_4243479	481.589	DUWBNSMDLGGOMX-GFCCVEGCSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151148
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCC3)CC1	ZINC22_13165221,PC-id_25732096,CoCoCo_4243480	481.589	DUWBNSMDLGGOMX-LBPRGKRZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151149
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C	MCULE-5860583138,PC-id_16311035,EMOLS-id_13412480	481.589	DUWBNSMDLGGOMX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151150
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCC)sc2CCCc2c1C#N	MCULE-6916747284,EMOLS-id_331784381	481.59	KYMNZVZOOYDWNM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151151
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CC=C)sc2CCCc2c1C#N	MCULE-9459548363,EMOLS-id_331789235	481.59	ZSJIDZXRXBQGHH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151152
CC(C)c1nccn1CC(=O)N1CCC[C@H]1C(=O)N1CCC(NC(=O)c2n[nH]c3c2CCC3)CC1	ZINC22_2325843081	481.59	TVDYVPIVHAKDFK-FQEVSTJZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151153
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)NC(CCN(C)C)C)C	PC-id_145111645	481.59	DWLAITPVCXQUGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151154
C[C@H]1CN(C2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_59508123,BindingDB_PC-id_59508123,SCHEMBL597082	481.59	JAFIKEBCHRZJRF-SJORKVTESA-N	00000010100010101001100010000000000000000000000000000000	25-01-151155
C[C@H]1CN(CC2(C)COC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_59508205,SCHEMBL598623,BindingDB_PC-id_59508205	481.59	XCLQXTWPXGOKDJ-SJORKVTESA-N	00001010100010101001000010000000000000000000000000000000	25-01-151156
C[C@H]1CN(CC2COCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	BindingDB_PC-id_59508341,SCHEMBL597170,PC-id_59508341	481.59	BDQBAAHGCMPUQQ-DVKDBIPTSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151157
N#Cc1ccc(nc1)CN1Cc2c(C1C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	PC-id_144742182	481.59	NRCRLWUQYQMISO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-151158
c1(NC(=O)CN2CCN(CC2)c2nnc(c(=O)[nH]2)Cc2cccs2)sc2c(CCC2)c1C#N	EMOLS-id_322527074,MCULE-9033237443	481.594	KBAGQQCQRBJVDL-UHFFFAOYSA-N	00000010100110100001100010000000000000000000000000000000	25-01-151159
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)CCCC1CCC(CC1)(F)F)C(=O)O	PC-id_135200351,SCHEMBL20353933	481.596	OVHVZNGKHRMSEI-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-151160
c1(NC(=O)C(c2ccccc2)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-5405115445,PC-id_19171275	481.605	CPWNOHBXRFCNHT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151161
c1(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4959210249,EMOLS-id_334334376	481.607	MSHFKCQNIYQFKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151162
COC(=O)c1c(NC(=O)CSc2nn(c3ccc(F)cc3)c(=S)s2)sc2c1CCC2	EMOLS-id_43792721,CoCoCo_3148742,MCULE-5944016028,ZINC22_3285178,PC-id_2400696	481.607	UTNHDIUOQBFPEI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151163
s1c2c(CCC2)c(c1NC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)NCCCOCC	PC-id_52088132	481.607	NNYZHKYBQRROCY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151164
CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)sc2c1CCC2	CoCoCo_3633705,MCULE-3442028955,EMOLS-id_3058224,ZINC22_9373258,PC-id_4829844	481.609	ADSHQMZBVWAQJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151165
COC(=O)c1c(NC(=S)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)sc2CCCc12	ZINC22_16347318,CoCoCo_1000112,ChEMBL-DNDi_CHEMBL7824057,TIMTEC505642,Chemmine_19049,PC-id_2957141,MCULE-4997771727,EMOLS-id_2003943	481.609	VNUGIIFGBBNNKB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151166
S(=O)(=O)(N1CCOCC1)c1ccc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_20168815	481.609	DZZIRSJWQFBIAI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151167
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CC=C)sc2CCCc2c1C#N	MCULE-9153937468,EMOLS-id_331923477	481.61	JAJVYOOIRQNKQE-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151168
s1c2CCCc2c(c1NC(=O)CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC)C#N	PC-id_55482441	481.61	UIHVTFBPVMCINA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151169
S1(=O)(=O)CC(CC1)c1n(c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)nn1)CC=C	PC-id_43018134	481.612	IOFSGTPMUHYKRM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-151170
CCCN1CC(C)N(CC1CC)C(=O)N1Cc2c(C1(CC)CC)[nH]nc2NC(=O)c1ccccn1	PC-id_145493448	481.634	XKXNBBMGLFRRPK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151171
C=CC(=O)NCCCC(Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C)C	PC-id_145111626	481.634	KIAIJBDZZXXQLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151172
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CSc1ccc(cc1)C)CC=C)C#N	PC-id_21013696	481.657	XRNLVUJUUDUGJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151173
CC(C(CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19537550	481.695	DYKFIJNOPDSBSF-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-151174
OCC(C(C(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(C)C	SCHEMBL19537153	481.695	AUQOSLNXGFIJCK-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-151175
c1(NC(=O)CSc2scc(c3ccc(cc3)CCCCCC)n2)sc2c(CCC2)c1C#N	MCULE-1025665223,EMOLS-id_324901458	481.696	UELYXYUVLJNKSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151176
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1C(C)(C)C	PC-id_140882944	481.706	FZMHGUQXQJSSIK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151177
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	PC-id_16947415	481.875	LHQYUYSGISACIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151178
Cc1c(C(=O)C(=O)NC2(C)CS(=O)(=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	BindingDB-id_987270,PC-id_134285186,SCHEMBL19900893	481.925	SDJHYHWSPXKRPO-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-151179
Clc1c(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cccc1	PC-id_5055696	481.93	BDVPYYPZPPSFAI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151180
Clc1cc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc1	PC-id_4592512	481.93	SNDLVDWNYKREBP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151181
Clc1ccc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_4569472	481.93	PRMGELKURZAHHM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151182
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1nnc(o1)C)C)Cl	PC-id_134599024,SCHEMBL20252925	481.931	BQDXHRLPMNSUMB-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151183
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1nn(nn1)C)C)Cl	SCHEMBL20252911,PC-id_134599010	481.935	QTEYUZOQLNKQOJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151184
c1(NC(=O)COc2cccc(c2)NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C#N	MCULE-1397707248,EMOLS-id_323218269	481.951	FUMDDIBHKFTSRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151185
c1(NC(=O)COc2cccc(c2)NC(=O)COc2ccc(Cl)cc2)sc2c(CCC2)c1C#N	MCULE-5726246924,EMOLS-id_323187786	481.951	FVJQFOIEMPBKHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151186
Clc1cc(NC(=O)c2ccc(OCC(=O)Nc3sc4CCCc4c3C#N)cc2)ccc1OC	PC-id_1672833	481.951	NYKAOEIWQLEUNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151187
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2C)Cl)sc2c(CCC2)c1C#N	EMOLS-id_321900795,MCULE-2285403701	481.955	UGJNEZDGUKZQSS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151188
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(C)c(Cl)c2)sc2c(CCC2)c1C#N	MCULE-1533923020,EMOLS-id_321903613	481.955	MIUBVPBPEJKOFK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151189
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(C)ccc(Cl)c2)sc2c(CCC2)c1C#N	MCULE-5711601649,EMOLS-id_321904123	481.955	HLLPKTOJISXELR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151190
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(Cl)c2C)sc2c(CCC2)c1C#N	MCULE-5132644740,EMOLS-id_321904379	481.955	AJSUIHYIQMIRHZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151191
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccccc2Cl)sc2c(CCC2)c1C#N	MCULE-9471423756,EMOLS-id_321874555	481.955	UKDJFPQMXZLFIV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151192
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccc(Cl)cc2)sc2c(CCC2)c1C#N	MCULE-8812255603,EMOLS-id_321872763	481.955	SKGPGVLCMQZWBM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151193
N#Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)sc2c1CCC2	CoCoCo_2965090,ZINC22_3357291,MCULE-9146944354,PC-id_2474622,EMOLS-id_43737116	481.973	BQINQNDQPXBILT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151194
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)sc2CCCc12	EMOLS-id_327814237	481.991	YXBNXTDWKGADIV-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151195
C(=O)(Nc1sc2CCCc2c1C(=O)OCC)C=Cc1ccc(cc1)OCc1ccccc1Cl	MCULE-4747860102	481.991	YXBNXTDWKGADIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151196
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331555,MCULE-5704653202	481.994	AFOFTHDCTOJGFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151197
CCCCCOc1ccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_27022623	481.994	FULBENWOGXZNNL-KGOILNEASA-N	00000000100000110001000010000000000000000000000000000000	25-01-151198
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_45964817,ZINC22_16735183	481.994	FULBENWOGXZNNL-SHWPBCIMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151199
COc1cc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)ccc1OCCC(C)C	EMOLS-id_27022625	481.994	SGNNPNMYVZEKGF-LFQLOTNQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151200
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)ccc1OCCC(C)C	ZINC22_16735186,EMOLS-id_45964819	481.994	SGNNPNMYVZEKGF-SVLWCXSNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151201
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC(C)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-1415098500	481.994	SGNNPNMYVZEKGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151202
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-6628432542	481.994	FULBENWOGXZNNL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151203
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-1921076445	481.994	QNCWOMIQQXFHEP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151204
CC1(c2c(CN1C(=O)Nc1c(ccc(c1)Cl)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195465,SCHEMBL20348597	482.014	VDXHYKIYQLSMTO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151205
CC1(c2c(CN1C(=O)Nc1c(ccc(c1)F)Cl)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195429,SCHEMBL20348559	482.014	BROOCZKUXWDTOK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151206
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)Nc1c(F)cccc1Cl	SCHEMBL20953485,PC-id_138593171	482.014	LHIHTWSIQQXUHH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151207
Clc1ccc(cc1)NC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)C)sc2c1CCC2	SCHEMBL20340702,PC-id_135188470	482.016	QLIKNHQPWDMRJX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151208
Clc1c(S(=O)(=O)N2CCCCCC2)cc(cc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_26872807	482.016	ZHJVWSBKUWEFHZ-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-151209
CS(=O)(=O)N1CCCCC1C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	PC-id_135200287,SCHEMBL20353863	482.016	BSOAIWSQFRPWQZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151210
N[C@@H]([C@@H](c1ccc(nc1)Cl)O)CCCCc1ccc(cc1)C(=O)N(Cc1n[nH]c2c1CCC2)C	PC-id_139419367,SCHEMBL21278339	482.018	WGFUOXOGGDZGPO-PXDATVDWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-151211
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)CC1CCS(=O)(=O)CC1	PC-id_134170994,SCHEMBL19772173	482.059	WODCHCCOUHGCLQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151212
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)CC1CCS(=O)(=O)CC1	SCHEMBL18367997	482.059	WODCHCCOUHGCLQ-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151213
CC1CCc2c1c(I)nn2Cc1cc(F)ccc1I	EMOLS-id_330979581,MCULE-2018019750	482.074	NIUABTYUCBFCSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151214
CC1CCc2c1c(I)nn2Cc1c(F)cccc1I	EMOLS-id_330979325,MCULE-2529905441	482.074	QOWMEDPBOOTXCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151215
CC1CCc2nn(Cc3cc(F)ccc3I)c(I)c12	EMOLS-id_330963641,MCULE-3771260260	482.074	LYQHVOANXYBBRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151216
CC1CCc2nn(Cc3c(F)cccc3I)c(I)c12	MCULE-1325553780,EMOLS-id_330963385	482.074	DTKBCNQBRMVSCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151217
CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)SC=C3NCCOC)OC	PC-id_153165634	482.118	WDEVITWWKZQQQF-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151218
Brc1sc2=C/C(=C(C(F)(F)F)/c3[nH]c4c(c3)sc(c4)Br)/N=c2c1	SCHEMBL16492052,PC-id_117894092	482.136	NFAFRDVXGQVOFZ-MDWZMJQESA-N	00000010100000000000000110000000000000000000000000000000	25-01-151219
CC1(C2=C(CN1CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=NN2)NC(=O)C4=CC=CC=C4)C	PC-id_164615613	482.154	CDWWJJWQOYAYJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151220
Cc1c(ccc(c1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)N[C@@](C)(C(=O)N)C(F)(F)F)C)F	PC-id_163981677	482.158	SYYLTWRMHLKENT-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151221
Cc1c(ccc(c1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)N[C@](C)(C(=O)N)C(F)(F)F)C)F	PC-id_163981678	482.158	SYYLTWRMHLKENT-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151222
Brc1c(OC)c(C=CC(=O)Nc2sc3CCCc3c2C#N)cc(Br)c1	PC-id_73369174	482.189	CTTFCSORXNLIPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151223
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCC2	PC-id_17117826,ZINC22_14279066	482.189	CTTFCSORXNLIPK-AATRIKPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151224
CC1(C2=C(CN1C(=O)NC(C3=CC=CC=C3)C(=O)[O-])C(=NN2)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_153699613	482.223	GOCRDGHPULPWOT-UHFFFAOYSA-M	00001010100000110001000010000000000000000000000000000000	25-01-151225
CC1(C2=C(CN1C(=O)N[C@@H](C3=CC=CC=C3)C(=O)[O-])C(=NN2)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_153715106	482.223	GOCRDGHPULPWOT-KRWDZBQOSA-M	00001010100000110001000010000000000000000000000000000000	25-01-151226
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)COC3=CC=CC=C3)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_160321029	482.235	PVLYQQOQTSRPDS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151227
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)OCC3=CC=CC=C3)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_148859981	482.235	OZDACQQBYZBXJL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151228
CC1=C(C(=CC=C1)C2(CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)O)F)C	PC-id_152342259	482.269	WXRHHGIUUOGTHM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151229
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@H]([C@@H](C5)F)O)C	PC-id_150823269	482.269	KKJPNIPYFJYDIB-ISKFKSNPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151230
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@H]([C@H](C5)F)O)C	PC-id_150823270	482.269	KKJPNIPYFJYDIB-LADGPHEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151231
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@@H]([C@H](C5)F)O)C	PC-id_150823271	482.269	KKJPNIPYFJYDIB-UPVQGACJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151232
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@@H]([C@@H](C5)F)O)C	PC-id_150823272	482.269	KKJPNIPYFJYDIB-VWNXMTODSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151233
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=CC(=C5)C)F	PC-id_150244082	482.269	FYDDKXOIUVYICC-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151234
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)C)F	PC-id_150562046	482.269	IKAVUPJPRIMSKJ-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151235
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC(=C5)C)F	PC-id_151576681	482.269	QFPFKTVJWYFUMM-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151236
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)F)C	PC-id_150351355	482.269	GTUJVSVIXAKTIO-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151237
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)F)C	PC-id_150549064	482.269	IHMJKEJHRDBKLF-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151238
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCCC(C4)C5=C(C(=CC=C5)F)C	PC-id_151725607	482.269	RJMWKNPBHREZMK-UFRUDQCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151239
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)F)C	PC-id_152534374	482.269	YKEXZXFJFKMJST-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151240
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=CC(=C5)F)C	PC-id_152592198	482.269	YVSDGNOXOVDQGN-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151241
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=CC=C5F)C	PC-id_152672985	482.269	ZLXZFQMIBQGZPI-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151242
CC(C)(C)OC(=O)[C@@](C)(CCN1Cc2cc(I)cn2C1=O)S(=O)(=O)C	PC-id_135396617,EMOLS-id_317491673,MCULE-6068557829	482.334	SZUSAAXZGBTPKR-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151243
CC(COC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)I)C)C	SCHEMBL18760666	482.334	QBJNWQRBBWSBRA-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151244
Brc1ccc(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_3371089	482.345	GEXHKAQFNUBLEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151245
Brc1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc(OC)cc1	PC-id_5211116	482.345	VRSGXJQDGBUUCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151246
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1Br)C)C(=O)OC	MCULE-9202596327,SPECS-id_AF-399/13428156,STOCK2S-61310,EMOLS-id_1859363,ChEMBL-DNDi_CHEMBL5989027,Chemmine_28770,PC-id_2789280	482.345	NMAJCDQKNRVAOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151247
COC(=O)c1c(NC(=O)COc2ccc(C)cc2Br)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_725703,PC-id_1051259,ZINC22_729955	482.345	NMAJCDQKNRVAOR-NSHDSACASA-N	00000010100000110000000010000000000000000000000000000000	25-01-151248
COC(=O)c1c(NC(=O)COc2ccc(C)cc2Br)sc2c1[C@H](C(=O)OC)CC2	ZINC22_729954,CoCoCo_725702,PC-id_1051258	482.345	NMAJCDQKNRVAOR-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151249
BrC1=CC(=CNNC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C=C(OC)C1=O	PC-id_19172575	482.348	BECRWOLKSFEUFA-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-151250
c1(NC(=O)NN=Cc2cc(OC)c(c(Br)c2)O)sc2c(CCC2)c1C(=O)OCC	MCULE-1048450755	482.348	ZAMIUPWHEMWSEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151251
CCOC(=O)c1c(sc2c1CCC2)NC(=O)N/N=C/c1cc(c(c(c1)Br)O)OC	PC-id_135604371	482.348	ZAMIUPWHEMWSEX-ZVBGSRNCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151252
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC(F)(F)F)Cc23)c(c1F)C(F)(F)F	BindingDB-id_435305,SCHEMBL17222983,PC-id_118483462,BindingDB_PC-id_118483462	482.37	NRFZKVVDOMMYNN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151253
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1cccs1	MCULE-6976477065	482.373	FNJLZQZOAWILLQ-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-151254
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1cccs1	MCULE-5291510373	482.373	KGWAXBZWFMJGFC-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-151255
c1(NC(=O)CCc2cc(OC)c(cc2Br)OC)sc2c(CCC2)c1C(=O)OCC	MCULE-3113053494,PC-id_2071405	482.388	LIDRGQKWYYYJBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151256
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)nc2)ccc1Cl	PC-id_20178963	482.407	HFFBTVMVEHNYKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151257
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)nc2)ccc(Cl)c1	PC-id_20179057	482.407	ZFWKOOMXUHSUBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151258
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)nc2)c(Cl)ccc1	PC-id_20179425	482.407	VZAYQZOROAFXPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151259
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COC(=O)N1CCN(CC1)N=Cc1ccc(cc1)C(F)(F)F	SCHEMBL5541659,PC-id_87852198	482.413	NXOFFRIWRTWFBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151260
CN1CCN(CC1)c1cc(c(cc1)C(=O)Nc1nn(c2c1CN(C2)C(=O)O)C(=O)O)C(F)(F)F	PC-id_90811870	482.413	GZUJGABKKKMYNF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151261
CN1CCN(CC1)c1c(cc(cc1)C(=O)Nc1nn(c2c1CN(C2)C(=O)O)C(=O)O)C(F)(F)F	PC-id_91197389	482.413	HLHIMTSLSJROHQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151262
FC(F)(F)c1ccc(C=NN2CCN(CC2)C(=O)OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_69481214	482.413	NXOFFRIWRTWFBV-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151263
O=C(N1CCN(CC1)/N=C/c1ccc(cc1)C(F)(F)F)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5541651	482.413	NXOFFRIWRTWFBV-QFJCWKAKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151264
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1Cl	PC-id_17279123	482.423	DGVIVLDPOYBPMH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151265
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1Cl	PC-id_22198729	482.423	OKVYBQRTIXNTET-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151266
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_22194835	482.423	CEWXNZFSUKCHEM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151267
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_22195560	482.423	MNKTUQOGAYQBPQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151268
FC(F)(F)c1ccc(CN(C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)[O-])cc1	SCHEMBL6010787,PC-id_69635331	482.433	HYMWMRLPGYYHRP-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-151269
PNC([C@@H](c1cc(F)ccc1F)OCC(F)(F)F)CC(N1Cc2c(C1)cn(n2)SC)C	PC-id_145406230	482.451	GTLMACVPEHZYPL-GBDUZWOGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151270
s1c2CCCc2cc1C(=O)NNC(=O)C1CCN(CC1)c1c([N+](=O)[O-])cc(cc1)C(F)(F)F	PC-id_26872632	482.476	NRMQWWRMGZSIHF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-151271
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C([Si](C)(C)C)(C)C)Nc1c(Cl)cccc1Cl	PC-id_140883038	482.479	KYKKSHWIFJSKRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151272
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)C(F)F	SCHEMBL20252938,PC-id_134599037	482.483	WELFETXFJXEAMI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151273
Cc1ccc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C	PC-id_134598987,SCHEMBL20252887	482.483	YPVIIWWVNRWMKQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-151274
CC(=O)C(C1=Nc2n(C1=O)c(nn2)N)CCCCCCCC(C1=Nc2n(C1=O)c(nn2)N)C(=O)C	PC-id_51058875,SPECS-id_AT-225/NB50911	482.496	BETKRHCAKNDXCS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-151275
CC(=O)C(CCCCCCCC(c1c(n2C(=N)N=Nc2n1)O)C(=O)C)c1c(n2C(=N)N=Nc2n1)O	PC-id_137265812	482.496	PZNGMUVTOASYTR-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-151276
CC(=O)[C@@H](CCCCCCC[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)C)c1c(n2C(=N)N=Nc2n1)O	PC-id_137105744	482.496	PZNGMUVTOASYTR-CHWSQXEVSA-N	00000011100000000001000010000000000000000000000000000000	25-01-151277
CC(=O)[C@H](CCCCCCC[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)C)c1c(n2C(=N)N=Nc2n1)O	PC-id_137105745	482.496	PZNGMUVTOASYTR-BETUJISGSA-N	00000011100000000001000010000000000000000000000000000000	25-01-151278
CC(=O)[C@H](CCCCCCC[C@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)C)c1c(n2C(=N)N=Nc2n1)O	PC-id_137105746	482.496	PZNGMUVTOASYTR-STQMWFEESA-N	00000011100000000001000010000000000000000000000000000000	25-01-151279
c1(NC(=O)CCSc2nc(c3ccco3)cc(n2)C(F)(F)F)sc2c(CCC2)c1C(=O)N	EMOLS-id_1437406,CoCoCo_304006,ChEMBL-DNDi_CHEMBL7914215,MCULE-9581531887,BAS-03609540,PC-id_2219257,TIMTEC228569,ZINC22_2866168	482.499	IWWRLAGPBSVTMX-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-151280
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)Cc1ccc(cc1)C(F)(F)F	PC-id_23081615,SCHEMBL5544411	482.499	KWJHUSJKXFHBRO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151281
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)Cc1ccc(cc1)C(F)(F)F	SCHEMBL5544403,PC-id_69481769	482.499	KWJHUSJKXFHBRO-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151282
C[C@@](CCN1Cc2cc(C#CC#CC3CN(CC(F)F)C3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18588163,CHEMBL4529207	482.501	NDNZFNPAEWHMLB-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-151283
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)CC(F)F)C	SCHEMBL20484845	482.501	NDNZFNPAEWHMLB-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-151284
Fc1ccc(OCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278906	482.504	MZYMFKCIGDGWHL-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-151285
Fc1ccc(OCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_78381741	482.504	MZYMFKCIGDGWHL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151286
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)c2occc2)c(cc1)C)C(=O)OC	PC-id_16534276	482.506	NORYBALSSWUNDH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151287
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(NC(=O)c2occc2)cccc1)C(=O)OCC	PC-id_16533701	482.506	DSKAJCWMKFXROA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151288
CCCCc1cccc(c1c1ccc(c(n1)NC(=O)N1Cc2c(C1)cnn2CCOC)[N+](=O)[O-])F	PC-id_142527822	482.507	FOAJHZCPBBTINM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-151289
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)CNc1ccc(cc1)OC(F)(F)F)C(=O)O	SCHEMBL20353918,PC-id_135200337	482.516	ZLNJRIOMJAMJJB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151290
COCc1ccc(c(c1)CNC(=O)Nc1c2CSCc2nn1/C(=C/C=CC)/C)OC(F)(F)F	PC-id_144628871	482.519	DSINSYYPCCMAHZ-VLZWCJPISA-N	00000010100000110001000010000000000000000000000000000000	25-01-151291
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(OC(F)(F)F)cc1)C(=O)N	PC-id_46595666	482.519	ZUANBWZKKZRDMK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151292
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(OCc2ccc(F)cc2)cccc1)C)C(=O)N	PC-id_24495938	482.524	MKVCRCIYXYMHKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151293
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F)C	PC-id_51356442,SCHEMBL1206450	482.526	DVUAJLKRINHTEZ-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151294
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)F)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16453739,MCULE-4017471649,EMOLS-id_9880199,TIMTEC71140	482.527	BDEGFDMYANHDKF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151295
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCO)sc2CCCc2c1C#N	MCULE-2063149316,EMOLS-id_332714830	482.527	PVMHWDKHNJQOCI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151296
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCO)sc2CCCc2c1C#N	EMOLS-id_332716366,MCULE-3032416183	482.527	NOPUISLKFJLCFA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151297
O=C(NC[C@@H]1CCCO1)c1c(NC(=O)c2nn(c3ccc(F)cc3)ccc2=O)sc2c1CCC2	ZINC22_11914134,CoCoCo_6286713,PC-id_42278561	482.527	BDEGFDMYANHDKF-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151298
O=C(NC[C@H]1CCCO1)c1c(NC(=O)c2nn(c3ccc(F)cc3)ccc2=O)sc2c1CCC2	ZINC22_11914135,CoCoCo_6286714,PC-id_42278562	482.527	BDEGFDMYANHDKF-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151299
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N)ccc1OC)C(=O)OCC	PC-id_16518325	482.527	LDCLJZPXMWBVLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151300
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(n(nc1C)c1ccc(F)cc1)C)C(=O)N	PC-id_41061792	482.527	UNGNYZMYKNPURN-ZHACJKMWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151301
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(n(nc1C)c1ccc(F)cc1)C)C(=O)N	PC-id_74741516	482.527	UNGNYZMYKNPURN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151302
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2	MCULE-5956486006,PC-id_4068984,CoCoCo_3706238,EMOLS-id_48960564,ZINC22_5941947	482.532	NXRFUMQJFJBCLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151303
NN/C(=NN)/c1sc2c(c1)C(CC2)NC(=O)c1ncnc(c1)C(=O)NCc1ccc(c(c1)C)F	PC-id_143272753	482.534	DBPCYQRPJBJWPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151304
N#Cc1c(NC(=O)CSc2nnc([nH]2)NN=C(c2ccc(cc2)N(=O)=O)C)sc2c1CCC2	MCULE-2921256219,PC-id_73380288	482.539	LSHCZTIFCHKFBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151305
N#Cc1c(NC(=O)CSc2nnc([nH]2)N/N=C(/c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	SPECS-id_AN-153/I247572,PC-id_17287962	482.539	LSHCZTIFCHKFBH-BHGWPJFGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151306
s1c2CCCc2c(c1NC(=O)CSc1nc(N/N=C(c2ccc([N+](=O)[O-])cc2)/C)[nH]n1)C#N	PC-id_28693628	482.539	LSHCZTIFCHKFBH-MYKKPKGFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151307
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[N@@H+]1CCCN(CC1)c1ccc(cn1)C(F)(F)F	PC-id_26375879,GD-id_ZINC15030666	482.542	BWNABCGLEWITFF-ZDUSSCGKSA-O	00000010100000101101100010000000000000000000000000000000	25-01-151308
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C(=O)N	PC-id_26375876	482.542	BWNABCGLEWITFF-CYBMUJFWSA-O	00000010100000101101100010000000000000000000000000000000	25-01-151309
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C(=O)N	PC-id_74499386	482.542	BWNABCGLEWITFF-UHFFFAOYSA-O	00000010100000101101100010000000000000000000000000000000	25-01-151310
CCOC(=O)c1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2	EMOLS-id_2912836,MCULE-5432785731,ZINC22_3167316,CoCoCo_3268294,PC-id_2308494	482.546	XVKABVKSTVENLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151311
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1)C(=O)NC(=O)OCC	PC-id_41274573	482.546	PVTPBCIJGGWQEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151312
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccc(cc1)OCCCC)C#N)C(=O)OC	PC-id_73552015,MCULE-5375685710	482.549	UHKMLXMAKPAHRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151313
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4883948419	482.549	IZAOHNVQDGNHIK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151314
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)cc(OC)c1OC	EMOLS-id_334339752	482.549	IZAOHNVQDGNHIK-MDZDMXLPSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151315
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)OCC	PC-id_16579892	482.549	YDCCVJLGNNVCLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151316
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C(=C/c1ccc(OCCCC)cc1)/C#N)C(=O)OC	PC-id_19175234	482.549	UHKMLXMAKPAHRN-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151317
O=CNCC(CN(/C(=C/C=C)/C=C(C(N1Cc2c(C1)cn(n2)Cc1ccccn1)C)/F)C)OC=O	PC-id_142270589	482.55	VNFHDLIJABSJAH-QYCYLKSXSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151318
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331926815,MCULE-4838264138	482.552	JNQLIALFFUBZHD-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-151319
S1Cc2c(nn(c2NC(=O)c2cc(OC)cc(OC)c2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053538	482.552	LBLZLUFLXIHPEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151320
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053537	482.552	JRUPHWNHEHUNGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151321
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC(=O)NCc2ccccc2)C1	PC-id_44053340	482.552	SIIDOYHNSFNPTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151322
S1Cc2c(nn(c2NC(=O)c2c(OC)cc(OC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053536	482.552	YVHGKXUDRJYJLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151323
S1Cc2c(nn(c2NC(=O)c2c(OC)c(OC)ccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053471	482.552	AJISIOQANLQNNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151324
S1Cc2c(nn(c2NC(=O)COc2ccc(OC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053486	482.552	OGAWUDZJVOENSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151325
S1Cc2c(nn(c2NC(=O)COc2cc(OC)ccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053485	482.552	YTWIOQXUGHPERC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151326
S1Cc2c(nn(c2NC(=O)COc2c(OC)cccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053484	482.552	VRJRGGJTEWKPIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151327
CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1	BindingDB_PC-id_59474169,SCHEMBL1943675,BindingDB-id_218949,PC-id_59474169	482.554	IVWNMEFWLPAEER-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151328
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)C)c2=O)Cc1ccccc1	MCULE-1324949330	482.554	CHTGKKUNEAQAKZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151329
c12c(CCC1C(=O)OCC)sc(NC(=O)C1CCCN(Cc3onc(c4cccnc4)n3)C1)n2	MCULE-7033908838,PC-id_52993047,EMOLS-id_35862173	482.555	OZLMCSYAMRXPAJ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-151330
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3CCCN(Cc4nc(c5cccnc5)no4)C3)nc12	PC-id_52907779,ZINC22_62022912	482.555	OZLMCSYAMRXPAJ-JKSUJKDBSA-N	00000010100010101001100010000000000000000000000000000000	25-01-151331
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CCCN(Cc4nc(c5cccnc5)no4)C3)nc12	ZINC22_62022910,PC-id_52907775	482.555	OZLMCSYAMRXPAJ-HZPDHXFCSA-N	00000010100010101001100010000000000000000000000000000000	25-01-151332
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3CCCN(Cc4nc(c5cccnc5)no4)C3)nc12	ZINC22_62022911,PC-id_52907777	482.555	OZLMCSYAMRXPAJ-CVEARBPZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-151333
CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3CCCN(Cc4nc(c5cccnc5)no4)C3)nc12	ZINC22_62022913,PC-id_52907781	482.555	OZLMCSYAMRXPAJ-HOTGVXAUSA-N	00000010100010101001100010000000000000000000000000000000	25-01-151334
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)O	PC-id_24752450,SCHEMBL4278115	482.555	UXTSYDDGRCGPPA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151335
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(cc1)O	SCHEMBL4282755,PC-id_24752451	482.555	QLARQTYRFROHRA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151336
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1cccs1	MCULE-1640778697	482.555	LWFKSZPVUGAVQY-UHFFFAOYSA-N	00000000101100110001100010000000000000000000000000000000	25-01-151337
COC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)OC1CCCCO1)/C=C/C(=O)COc1ccccc1	PC-id_70481451,SCHEMBL10962747	482.565	WBEGYRPNNOHQBZ-NABFHCLMSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151338
O(C1C(c2c(oc(c2)CCCCC(=O)OC)C1)C=CC(=O)COc1ccccc1)C1OCCCC1	PC-id_76500280	482.565	WBEGYRPNNOHQBZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151339
O([C@H]1[C@@H](c2c(oc(c2)CCCCC(=O)OC)C1)C=CC(=O)COc1ccccc1)C1OCCCC1	PC-id_57257670	482.565	WBEGYRPNNOHQBZ-QHPSHKFUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151340
c1(NC(=O)COc2ccc(cc2)C(C)C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	PC-id_30862824,MCULE-9331730143,CoCoCo_5277801,ZINC22_23139605,EMOLS-id_24913599	482.57	ORYSJOYEAAONRO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151341
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1Cc2c(C1=O)scc2NC(=O)COC)OC	PC-id_137355419,SCHEMBL20579875	482.57	RORDMYSDVWOZLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151342
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1Cc2c(C1=O)scc2NC(=O)COC)OC	PC-id_137355418,SCHEMBL20579874	482.57	RORDMYSDVWOZLL-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151343
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616299	482.57	FYTISTVBQXACFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151344
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408623818	482.57	ZLSBUMXKGJVDTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151345
CCOC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408614737	482.57	HAPKXYSIVOJXRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151346
S1Cc2c(nn(c2NC(=O)c2ccc(OCCCC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053680	482.57	TZYMURJSJHRJOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151347
COC(=O)c1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)sc2c1CCC2	ZINC22_408629472	482.572	BSLVHDYFRPPKIE-HSZRJFAPSA-N	00000010101000110001100010000000000000000000000000000000	25-01-151348
COC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)sc2c1CCC2	ZINC22_408629473	482.572	BSLVHDYFRPPKIE-QHCPKHFHSA-N	00000010101000110001100010000000000000000000000000000000	25-01-151349
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)n(C(C)(C)C)nc2CS(=O)(=O)Cc12	PC-id_4096724,MCULE-6594067318,EMOLS-id_11052152,CoCoCo_2666512	482.574	HVDPECIPMRJEOE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151350
CCCCC[C@@H](c1c(CN(CCNC)C)nn2c1CC(C2)(F)F)CCCCOCC(F)(F)F	PC-id_139456626,SCHEMBL21321031	482.574	TXEFNBQKPTXDFC-GOSISDBHSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151351
CNCCN(Cc1nn2c(c1C(CCC(OC)C)CCCCCC(F)(F)F)CC(C2)(F)F)C	SCHEMBL21321588,PC-id_139457093	482.574	LDDFWQVTPLBIGJ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151352
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCC(c2n1)C(=O)OCC)c1c(onc1C)C	PC-id_49723993	482.574	COGNQQDJPFSJJP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151353
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCO)sc2CCCc2c1C#N	MCULE-3960623997,EMOLS-id_331792060	482.575	LHYLIKMABXBMHQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151354
c1(NC(=O)CSc2nnnn2c2ccc(cc2)C(=O)OC(C)(C)C)sc2c(CCC2)c1C#N	MCULE-5066201990,EMOLS-id_327687244	482.578	RMSGGUVDPSPSRM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151355
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C)Cc1ccc(cc1)C#N	PC-id_134170744,SCHEMBL19771911	482.578	XBIRAIYRUVZVAD-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151356
n1(N)c(COc2ccccc2OCC=C)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	MCULE-5925533015,EMOLS-id_335797700	482.578	JWVGTFGWSIYXCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151357
C[C@H]1CN(C2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccncn1)C	PC-id_59508313,SCHEMBL6377591,BindingDB_PC-id_59508313	482.579	LUDHEPWHESXJOA-CVEARBPZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-151358
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1c[n+](c2)C(Sc1n[nH]nn1)C)C(=O)O	PC-id_19978612	482.58	QYRQLMSCKYTHGX-UHFFFAOYSA-O	00001011100000000001001010000000000000000000000000000000	25-01-151359
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1c[n+](c2)C(Sc1n[nH]nn1)C)C(=O)O	PC-id_18641513	482.58	QYRQLMSCKYTHGX-VAQHCZCCSA-O	00001011100000000001001010000000000000000000000000000000	25-01-151360
c1(c2CCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1ccccc1OCC	PC-id_1166872,MCULE-5046836490,ZINC22_920868,CoCoCo_306048,EMOLS-id_1439577,BAS-03715676	482.592	DRLNRXSBCWATFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151361
c1(c2CCCc2sc1NCc1cc(OC)c(cc1OC)OC)C(=O)Nc1ccccc1OCC	BAS-03715675,CoCoCo_306047,PC-id_1166870,EMOLS-id_1439575,MCULE-2927318783,ZINC22_920866	482.592	VSIBFWCRLUGFQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151362
c1(c2CCCc2sc1NCc1cc(OC)c(cc1OC)OC)C(=O)Nc1ccc(cc1)OCC	CoCoCo_2720377,PC-id_4689869,MCULE-6906668075,EMOLS-id_16406110	482.592	OKBDOGYWNPCUGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151363
c1(NC(=O)c2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340015,MCULE-1595235066	482.592	CJSSVHHGHZXOKS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151364
c1(NC(=O)COc2ccc(cc2C(C)(C)C)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337450,MCULE-3847232919	482.592	GXKIMWBFCCYZHZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-151365
c1(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331821,MCULE-3649813468	482.593	MKHAAMNIZKFVBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151366
c1(NC(=O)c2[nH]nc(c3c(C)cc(cc3O)C)c2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_135785411,MCULE-3895586030	482.595	YVNBGMUWIGSVRH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151367
c1(NC(=O)c2[nH]nc(c3ccc(c(C)c3O)C)c2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_135785471,MCULE-4046360189	482.595	HEPADBXSVZPSMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151368
c1(NC(=O)c2[nH]nc(c3cc(CC)ccc3O)c2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_135785367,MCULE-1346882385	482.595	JXUAPKXELQXKFV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151369
c1(NC(=O)c2[nH]nc(c3cc(C)cc(C)c3O)c2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_135785439,MCULE-8619851965	482.595	SDGLZZNSSRORGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151370
c1(NC(=O)c2[nH]nc(c3c(O)cc(c(C)c3)C)c2)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-1360971516,PC-id_135785503	482.595	ZTDVASKHGOWVNF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151371
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331921695,MCULE-8209776126	482.595	BLXWWGRNXYQMRN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151372
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CC=C)sc2CCCc2c1C#N	MCULE-6221546080,EMOLS-id_331927315	482.595	BDKNONWYBFDMCY-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151373
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331924755,MCULE-9876028480	482.595	TUFPRQTWKBQDRL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151374
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331926301,MCULE-1805836030	482.595	SHMOCZHHCZZASF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151375
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCO)sc2CCCc2c1C#N	MCULE-6986893170,EMOLS-id_331929107	482.595	RFFQAPQNDDRCCS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151376
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCOC)sc2CCCc2c1C#N	EMOLS-id_331920407,MCULE-3306950547	482.595	IPQKKTYJMLHUSP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151377
O(C1CCN(CC1)C(=O)c1n[nH]c2c1CCC2)c1cc(C[NH+]2CCN(CC2)C(=O)OCC)ccc1	PC-id_42430977	482.595	GYJXSLXXNJADOL-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-151378
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)S(=O)(=O)N1CCCCC1	PC-id_92109413	482.595	GNWRIEJNEUMBQJ-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-151379
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=CC(=CC2=O)C)C)/NN1)C(=O)NCCCOCC	PC-id_19131154	482.595	UDPLYPFLMIHYLE-FXBPSFAMSA-N	00000011100011000001100010000000000000000000000000000000	25-01-151380
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(C(=CC2=O)C)C)/NN1)C(=O)NCCCOCC	PC-id_19131270	482.595	WDSXOLFCUYGKHB-ZCXUNETKSA-N	00000011100011000001100010000000000000000000000000000000	25-01-151381
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(CC)C=CC2=O)/NN1)C(=O)NCCCOCC	PC-id_19131086	482.595	ICWWKYUAYOMMSP-ZCXUNETKSA-N	00000011100011000001100010000000000000000000000000000000	25-01-151382
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C(=CC(=C2)C)C)/NN1)C(=O)NCCCOCC	PC-id_19131191	482.595	FYEBLNHQKPOGES-ZCXUNETKSA-N	00000011100011000001100010000000000000000000000000000000	25-01-151383
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C(=C(C=C2)C)C)/NN1)C(=O)NCCCOCC	PC-id_19131231	482.595	AKAHFVFCEAGPNR-VLGSPTGOSA-N	00000011100011000001100010000000000000000000000000000000	25-01-151384
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C=CC2=O)CC)C1)C(=O)NCC1OCCC1	PC-id_73344520	482.595	YPGYAWDCSWQGIV-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151385
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=CC(=CC2=O)C)C)C1)C(=O)NCC1OCCC1	PC-id_73537780	482.595	FSVYMBCLVOUDNY-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151386
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C(=CC2=O)C)C)C1)C(=O)NCC1OCCC1	PC-id_73537902	482.595	RKJNTHUJQVBGLC-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151387
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC(=C2)C)C)C1)C(=O)NCC1OCCC1	PC-id_73537825	482.595	AJXXMMXNUZESHY-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151388
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=C(C=C2)C)C)C1)C(=O)NCC1OCCC1	PC-id_73537862	482.595	YOQGEYFRSHWXDT-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151389
NC(=O)c1c(NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)sc2c1CCC2	CoCoCo_4172242,PC-id_16331825,MCULE-1874836367,ZINC22_9782774,EMOLS-id_11769655,GD-id_ZINC09782774	482.597	ORANHYJYPRZFGS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151390
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1	PC-id_44053357	482.597	UAFNSHTWZXCFMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151391
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)c2ccccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053853	482.597	MDLQVIFMZOORNT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151392
S1Cc2c(nn(c2NC(=O)Cc2ccc(cc2)c2ccccc2)CC(=O)NCc2ccccc2)C1	PC-id_44053458	482.597	RYGZBDLZJPACIN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151393
c1(NC(=O)COc2cccnc2NC(=O)NCCCCN2CCCC2)sc2c(CCC2)c1C#N	MCULE-4762718804,EMOLS-id_321875834	482.598	IWIAJQQAUUXLPU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151394
COc1ccc(cc1)C1=NN(C(=N)SC1C)C(=N)c1nn(c2c1CCC2)CC(=O)OC(C)(C)C	PC-id_145124491	482.598	NMEDINOZBFOTIB-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-151395
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(cn1)c1ccccc1)C(=O)N	PC-id_46688762	482.618	SJPVYLPVJQWWKK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151396
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC=C)C(=O)OCC	PC-id_19729890	482.618	YKAWRABXMQZDMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151397
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC=C)C(=O)OCC	PC-id_19730082	482.618	BBDDBMMBWKFBHD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151398
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC=C)C(=O)OCC	PC-id_19730274	482.618	OAKOFBXJCXOLTK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151399
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC=C)C(=O)OCC	PC-id_20123640	482.618	VWQXINGLHPDUSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151400
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC=C)C(=O)OC	PC-id_17303041	482.618	KQBLVXSEJBYOQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151401
S1Cc2c(nn(c2NC(=O)c2c(SCC)cccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053600	482.618	XYNKOETVQMNHEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151402
S1Cc2c(nn(c2NC(=O)CSCc2ccccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053575	482.618	ZZCOPQMVVLWJCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151403
S1C(N(c2c1scc2)CS(=O)(=O)[O-])C=C1Sc2sccc2N1CS(=O)(=O)[O-]	PC-id_59893139	482.618	HXMNUECOZUNGSJ-UHFFFAOYSA-L	00000010100000000001000110000000000000000000000000000000	25-01-151404
S1C(N(c2sccc12)CS(=O)(=O)[O-])C=C1Sc2c(scc2)N1CS(=O)(=O)[O-]	PC-id_59893258	482.618	CGHFFVVRXXIVJE-UHFFFAOYSA-L	00000010100000000001000110000000000000000000000000000000	25-01-151405
S(c1n(c(nn1)C1CC1)Cc1ccccc1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_35961790	482.618	SFHYBPRVXWDJGY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151406
Cc1cccc(C)c1OCCCc1nnc(SCC(=O)Nc2sc3CCCc3c2C#N)n1N	MCULE-9293071134,EMOLS-id_335798721	482.622	AQRSNTMTJAHJPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151407
CCc1ccc(OCCCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	MCULE-5206046990,EMOLS-id_335799757	482.622	MNDKJRWUESXZLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151408
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)cc(n1)C)CC1CCOCC1	PC-id_143732569	482.622	JXBJBZDBPCZEET-SFHVURJKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-151409
C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(Nc3nccc(C)n3)n[nH]c2C1(C)C	BindingDB-id_546087,PC-id_25154949,SCHEMBL3325700,BindingDB_PC-id_25154949	482.622	SMOMUTAUDKIVQY-MSOLQXFVSA-N	00000010100010100001000010000000000000000000000000000000	25-01-151410
s1c2CCCc2c(c1NC(=O)CSc1n(N)c(nn1)COc1ccc(C(C)(C)C)cc1)C#N	PC-id_24378570	482.622	FQEZLHIZJAEGQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151411
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331935504,MCULE-9690788918	482.638	FAZLBPPTPPJNCH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151412
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCCC)sc2CCCc2c1C#N	EMOLS-id_331921176,MCULE-7929108026	482.638	GHTYUVQKNLLERG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151413
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCCC)sc2CCCc2c1C#N	MCULE-1169887609,EMOLS-id_331930129	482.638	SVSHJLWASZDPQO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151414
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CC(C)C)sc2CCCc2c1C#N	MCULE-5278371291,EMOLS-id_331921172	482.638	QQNCKZVUNVESTQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151415
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCC(C)C)sc2CCCc2c1C#N	MCULE-7661593835,EMOLS-id_331925010	482.638	ZCFXCPMWXSAGDX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151416
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331919893,MCULE-4137001109	482.638	NVYDJTGVQDGWDJ-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-151417
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331923220,MCULE-2318361590	482.638	WPAPVFXPNZSIOY-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151418
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCCC)sc2CCCc2c1C#N	EMOLS-id_331923224,MCULE-1899471653	482.638	JTEREIVBKHKELJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151419
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCCC)sc2CCCc2c1C#N	MCULE-6565652072,EMOLS-id_331919897	482.638	TUFSPLCKZOJRMN-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-151420
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCC)sc2CCCc2c1C#N	EMOLS-id_331920403,MCULE-3307926748	482.638	NTKLLTIBYISQIR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151421
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CC=C)sc2CCCc2c1C#N	MCULE-7582077497,EMOLS-id_331925268	482.638	CLVMLQOWKBSDFS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151422
c1(NC(=O)C(C)Sc2nnc(NC(=O)C(C)(C)C)s2)sc2c(CCC2)c1C(=O)OCC	MCULE-2292047647,PC-id_4416324,EMOLS-id_5479891	482.64	HPGWKIVCNODCKS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151423
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)C(C)(C)C)s2)sc2c1CCC2	PC-id_41072518,CoCoCo_5021964,ZINC22_9444108	482.64	HPGWKIVCNODCKS-JTQLQIEISA-N	00000010100000000001000010000000000000000000000000000000	25-01-151424
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)C(C)(C)C)s2)sc2c1CCC2	PC-id_42427788,CoCoCo_5021965,ZINC22_12139835	482.64	HPGWKIVCNODCKS-SNVBAGLBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151425
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)C(CC)CC)nn1)C(=O)OCC	PC-id_24104891	482.64	VKXKJPJSOCVQHP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151426
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCCC)nn1)C)C(=O)OCC	PC-id_24046352	482.64	KCMJLOUSRBMBPH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151427
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CC(C)C)nn1)C)C(=O)OCC	PC-id_24048444	482.64	OKPQLGHYMRLQMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151428
CCCOC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_140817077	482.69	FNPIUJYBINEPKS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151429
CCCO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_141487846	482.69	FNPIUJYBINEPKS-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151430
CC(OC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1)C	PC-id_140817024	482.69	OCDNCKSBBPGQCJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151431
CC(O[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1)C	PC-id_141487835	482.69	OCDNCKSBBPGQCJ-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151432
COCCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_140817135	482.69	NAMHPLJMIQZKFT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151433
CCCCCCCCCCCCN1C=CS/C/1=CC=CC=c/1c(C)nc2n1nc(c2COC)C	SCHEMBL14365063	482.724	UUKYSMAHWPQAHA-XDUQMINISA-N	00000011100000000001000010000000000000000000000000000000	25-01-151434
S1C(=CC=CC=c2n3nc(c(c3nc2C)COC)C)N(CCCCCCCCCCCC)C=C1	PC-id_59005960	482.724	UUKYSMAHWPQAHA-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-151435
COc1cc(/C=c/2sc3nc(nn3c2=O)C(Cl)(Cl)Cl)ccc1OCc1ccccc1	EMOLS-id_324913156	482.767	CMYOMBSOIPWELW-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151436
n12c(=O)c(=Cc3ccc(c(OC)c3)OCc3ccccc3)sc1nc(C(Cl)(Cl)Cl)n2	MCULE-7303148986	482.767	CMYOMBSOIPWELW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151437
n12nc(nc1sc(=Cc1cc(ccc1O)Cl)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2597366849	482.767	VKHAKQXSKCMTCJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151438
Oc1ccc(Cl)cc1/C=c/1sc2nc(CCCOc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324915719	482.767	VKHAKQXSKCMTCJ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151439
C=CCOc1c(cc(cc1[Si](C(C)(C)C)(C)C)C)[Si](C1c2sc(cc2C(=C1C)C)C)(C)C	PC-id_21880855,SCHEMBL2923289	482.868	QYWDOKFVLZXKEX-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-151440
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(nc(cc1)Cl)N)C	SCHEMBL1373579,PC-id_87235326	482.891	YOSQLGSFAZNWAW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-151441
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(COC1)c1n[nH]nc1)C)Cl	SCHEMBL20252945,PC-id_134599044	482.92	NBGHLSRWJHCGGK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-151442
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)sc2c1CCC2	PC-id_2397930,MCULE-7723137055,ZINC22_3282413,CoCoCo_3035801,EMOLS-id_3157776	482.936	LHBHORYWTHGYAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151443
c1(NC(=O)c2[nH]nc(c3cc(Cl)ccc3O)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4984884804,PC-id_135785297	482.939	NSHZOKRWSVOZOB-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-151444
c1(NC(=O)COc2cccnc2NC(=O)COc2ccccc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_321805437,MCULE-1716087725	482.939	CTHNOYQVYZLSOU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151445
c1(NC(=O)COc2cccnc2NC(=O)COc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-6305940240,EMOLS-id_321803900	482.939	PINUYMPLAVQYNW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151446
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2C)Cl)sc2c(CCC2)c1C#N	MCULE-2460823251,EMOLS-id_321773052	482.939	DJMKMUFAYZLENC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151447
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(c(C)c2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_321770748,MCULE-8024773256	482.939	RXYJHXIIBAOBOQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151448
ClC1=C/C(=C/NNC(=C2)C(=O)Nc2sc3c(CCC3)c2C(=O)NCc2occc2)/C(=O)C=C1	PC-id_19131010	482.939	ZQOUKQXQTZELBI-NXVVXOECSA-N	00000011101011000001100010000000000000000000000000000000	25-01-151449
Clc1ccc(cc1)CC1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL2096517,PC-id_5278842	482.959	QALTTWKIXWBMDT-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-151450
Clc1ccc(cc1)CC1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL2096522,PC-id_67275704	482.959	QALTTWKIXWBMDT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151451
Clc1ccc(cc1)CN1CCC(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_10005496,SCHEMBL5543025	482.959	IBYBLYXYIMYXLC-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-151452
Clc1ccc(cc1)CN1CCC(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_10096797,SCHEMBL5543031	482.959	IBYBLYXYIMYXLC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151453
Clc1ccc(cc1)CN1CCC(CC1)c1ccc(cc1)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_10480418,SCHEMBL5544387	482.959	IBYBLYXYIMYXLC-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151454
CCCOc1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1	BindingDB_PC-id_87535803,BindingDB-id_218897,SCHEMBL3503502,PC-id_87535802	482.966	IEIRZSBAYODXCR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151455
CCCOc1nc(nc(n1)Cl)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	PC-id_59474199,SCHEMBL12143686	482.966	IEIRZSBAYODXCR-IURRXHLWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151456
CCCOc1nc(nc(n1)Cl)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247497	482.966	IEIRZSBAYODXCR-ZBFHGGJFSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151457
CCCOc1nc(nc(n1)Cl)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL3503499	482.966	IEIRZSBAYODXCR-GOEBONIOSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151458
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)N	MCULE-7652052383,PC-id_73550127	482.979	DIWPXKWCQPQSDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151459
Clc1ccc(COc2c(OC)cc(/C=C/C(=O)Nc3sc4c(CCC4)c3C(=O)N)cc2)cc1	PC-id_19169423	482.979	DIWPXKWCQPQSDN-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151460
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CC)sc2CCCc2c1C#N	EMOLS-id_332715843,MCULE-8574107986	482.982	LDYMFMRDCRZMAX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151461
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CC)sc2CCCc2c1C#N	MCULE-7013645335,EMOLS-id_332716868	482.982	IHIBLDDUICUODH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151462
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_16924058	483.001	KAFDRESYSQCXHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151463
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_16861652	483.001	QQHQSHLBRUQODX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151464
Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_41828955	483.001	ATKKOOHYJNPPNZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151465
C1CC(CNC1)C(=O)NS(=O)(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20340272,PC-id_135188110	483.004	OOEZLUGPJLSPRZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151466
C1CC(CN(C1)S(=O)(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl)C(=O)N	PC-id_135188112,SCHEMBL20340274	483.004	VGDLJCGDSBZETO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151467
C1CC(CN(C1)S(=O)(=O)N)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20353881,PC-id_135200304	483.004	ZYXXSVLLHZNYKX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151468
C1CCN(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl)S(=O)(=O)N	SCHEMBL20353857,PC-id_135200281	483.004	LIJRTAUBYYZOBB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151469
C1CCNC(C1)C(=O)NS(=O)(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	PC-id_135187023,SCHEMBL20339074	483.004	UVFQEJWHDCIQTR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151470
C1CCN(C(C1)C(=O)N)S(=O)(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20339076,PC-id_135187025	483.004	YZJWXAWVEOVTPF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151471
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329506,MCULE-1727173756	483.022	QHTKJXMCAGSJRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151472
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329513,MCULE-9101713440	483.022	GJOMLBYCWJLVMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151473
c1(NC(=O)CCCOc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2204027141,EMOLS-id_334328745	483.022	YOWLEBSWNRWYRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151474
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328232,MCULE-2587533596	483.022	GCPJCPWLMWATDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151475
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(cc(N(CC)CC)cc2)C)cc1	PC-id_16947448	483.025	QFGINIPJGXSDEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151476
Clc1cc([C@@H](O)[C@@H]2N[C@@H](CC2)Cc2ccc(NC(=O)[C@@H]3CCc4sc(nc34)N)cc2)ccc1	PC-id_76336501	483.025	QUHYZTPYTSFVJN-DZCCDHAISA-N	00000010100000110001000010000000000000000000000000000000	25-01-151477
c1(NC(=O)c2c(Cl)cnc(SCCC)n2)sc2c(CCC2)c1C(=O)NCCCOCC	CoCoCo_2210186,TIMTEC588803,MCULE-5471433743,PC-id_16436234,EMOLS-id_2637046,ChEMBL-DNDi_CHEMBLD054-0509,ZINC22_16806316	483.047	ZCNGJQZJEYPDEB-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-151478
NC(=O)c1c(NC(=O)CSc2nn(c3ccc(Cl)cc3)c(=S)s2)sc2c1CCC2	PC-id_2494595,MCULE-6742774467,EMOLS-id_3152780,CoCoCo_3088635,ZINC22_3376613	483.05	AIVGXXPDECAIIT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151479
C[C@@H](CC(=O)C1=CN=C2N1CCN2)C3=NC=C(S3)C(=O)CC4=CC(=C(C=N4)Cl)C(F)(F)F	PC-id_161610850	483.074	WUQJOROGMLIBFU-JTQLQIEISA-N	00000010100000101001000010000000000000000000000000000000	25-01-151480
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4F	PC-id_164872313	483.119	NESQDNIZCGASMV-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151481
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4F	PC-id_164931973	483.119	NESQDNIZCGASMV-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151482
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4)CC(F)(F)F	PC-id_164872031	483.119	ZFMIERDOFHBPNU-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151483
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4)CC(F)(F)F	PC-id_164872124	483.119	ZFMIERDOFHBPNU-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151484
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4F)CC(F)F	PC-id_164931966	483.119	SJVBMAFQZBSOFZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151485
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4F)CC(F)F	PC-id_164931984	483.119	SJVBMAFQZBSOFZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151486
C[C@@H]([C@H](C1=CC=CC=C1)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F)O	PC-id_164872205	483.119	WBEAFHCBTCGLLJ-SCLBCKFNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151487
C[C@H]([C@H](C1=CC=CC=C1)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F)O	PC-id_164872267	483.119	WBEAFHCBTCGLLJ-FZKQIMNGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151488
CCN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4	PC-id_164871972	483.119	FKRMAQIFZMFXPG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151489
CCN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872041	483.119	FKRMAQIFZMFXPG-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151490
CCN1C(=C(C=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4)C(F)(F)F	PC-id_164872195	483.119	XDPHFSOPKZMSBZ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151491
CCN1C(=C(C=N1)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4)C(F)(F)F	PC-id_164872196	483.119	XDPHFSOPKZMSBZ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151492
NC(=O)c1c(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)sc2c1CCC2	CoCoCo_2852999,PC-id_2098602,ZINC22_2635957,MCULE-4115963199	483.153	OJVRZSHUYCJLLK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151493
CC1(CCC(CC1)CC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)Cl)Cl	PC-id_164980918	483.158	XENQAFGMJHWUGC-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-151494
Clc1ccc(OCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324847347	483.166	COJIWHKUIBGLIG-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-151495
Clc1ccc(OCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324849397	483.166	HXYCDCLIJREJAA-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-151496
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-7371297037	483.166	COJIWHKUIBGLIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151497
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)COc1ccc(cc1Cl)Cl	MCULE-2864539967	483.166	HXYCDCLIJREJAA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151498
c1(NC(=O)C)c(Br)cc(cc1Br)C(=O)Nc1sc2CCCc2c1C#N	MCULE-2052514543,EMOLS-id_328011056	483.177	ZCXWDUXTUSGCCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151499
OCCCCCCN1S(=O)(=O)c2c(S1(=O)=O)c(sc2Br)Br	SCHEMBL18326408	483.217	NOAHZOLEUDQXEC-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151500
CC1(C2=C(CN1C(=O)NC(C3=CC=CC=C3)C(=O)O)C(=NN2)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_153699614	483.23	GOCRDGHPULPWOT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151501
CCOC(=O)n1c2c(CN(C2(C)C)C(=O)I)c(n1)NC(=O)c1ccccn1	PC-id_89030910,SCHEMBL13180959	483.26	VREAYOLRDOPLPB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151502
CC1(c2c(CN1C(=O)C1(CCCC(CC1)C1CCOCC1)F)c(n[nH]2)NC(=O)c1ccccn1)C	PC-id_163654398	483.265	IOXOGEUSPHTYLE-UHFFFAOYSA-N	00000010100010101101100010000000000000000000000000000000	25-01-151503
C[C@@H](C(C1=CC=CC=C1)O)NC(=O)N2CC3=C(C2(C)C)NN=C3NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_153699667	483.267	DZEAOHYEZDCUTG-UCFFOFKASA-N	00001010100000110001000010000000000000000000000000000000	25-01-151504
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(C2=NN(C3=C2CCC3)CC4=CC=CC=C4)O	PC-id_165387889	483.273	NUNDOKHRUZGOGA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151505
CC1=C(C2=C(N1)C(N(C2)C(=O)N[C@H](CCO)C3=CC=CC=C3)(C)C)NC(=O)C4(CC4)[SiH-](C)(C)C	PC-id_164006721	483.28	UNRLXXGXDNHOCU-HXUWFJFHSA-N	00100010100000110000000010000000000000000000000000000000	25-01-151506
Brc1c([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_45658268	483.29	YRABTGUCRQNUON-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151507
Brc1c(F)c(F)c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(F)c1F	PC-id_20170514	483.298	UODSCHSDEVVFRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151508
n12nc(nc1sc(=Cc1ccc(N(=O)=O)s1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-8369295682	483.348	MMNKDVCJHVXEJX-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-151510
[O-][N+](=O)c1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)s1	EMOLS-id_324918789	483.348	MMNKDVCJHVXEJX-ZROIWOOFSA-N	00000000100100110001000010000000000000000000000000000000	25-01-151511
Clc1c(N(S(=O)(=O)CCl)C(=O)C(C)C)cc(/N=c/2sc(=O)n3n2CCC3)c(F)c1	PC-id_70284656,SCHEMBL8135684	483.365	XVGIIUBUJIKPTO-HKWRFOASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151512
Clc1c(c2n(N)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nn2)ccc(Cl)c1	PC-id_24496051	483.395	LMZYMYHBCFJFGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151513
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OCC	PC-id_17073984	483.399	RNPOWPQITOKLOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151514
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c(OC)cc1	PC-id_17094469	483.399	MXGZMDIFFYHFLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151515
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(OCC)cc1	PC-id_17353178	483.399	NHUMVHPLUWHVKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151516
c1(NC(=S)NC(=O)c2ccc(c(Br)c2)OC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1690882,CoCoCo_6153605,ZINC22_678683,MCULE-9419205607,PC-id_1016676	483.399	SFFDQFXTANJRCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151517
Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	MCULE-3635136059,CoCoCo_2956147,EMOLS-id_3168979,ZINC22_9562425,PC-id_4299720	483.399	WISJKZKHTGVINX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151518
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7139847856,EMOLS-id_334334639	483.408	PEXFFBJPKFZISM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151519
FCOc1ccc(cc1)Oc1nnnn1c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL18031605,PC-id_122501616	483.409	RDWKTIJIKHZDMM-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151520
Brc1ccc(CC(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1	EMOLS-id_334330282,MCULE-8525913434	483.421	KSUYMFLZNLTJIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151521
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C)C(=O)Nc1cc(c(cc1)F)C(F)F	SCHEMBL19920767,PC-id_134303046	483.431	SYSXZFJTCNXGIC-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-151522
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-6931125185	483.438	WEFRXYBUBGNZHY-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151523
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)NC(=O)OCc1ccc(cc1)C(F)(F)F	PC-id_86760533	483.441	QABMMHMNWDQVCX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151524
CC(=O)N(c1ccc(cc1)OC(F)(F)F)C1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69479455,SCHEMBL5535864	483.441	VNNAUHWAVDAUKK-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151525
CC(=O)N(c1ccc(cc1)OC(F)(F)F)C1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5535875,PC-id_23081585	483.441	VNNAUHWAVDAUKK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151526
FC(F)(F)c1ccc(CN(C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)O)cc1	PC-id_69635322,SCHEMBL6010780	483.441	HYMWMRLPGYYHRP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151527
FC(F)(F)c1ccc(CN(C2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)O)cc1	SCHEMBL6010794,PC-id_69635339	483.441	HYMWMRLPGYYHRP-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151528
FC(F)(F)c1ccc(COC(=O)N2CCN(CCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5546272,PC-id_69482379	483.441	JRFHDHWYDPJGTI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151529
FC(F)(F)C1(N(Cc2ccccc2)C(=O)O)CCN(CC1)C[C@@]1(Oc2n(C1)cc(n2)[N+](=O)[O-])C	PC-id_69635318,SCHEMBL6010777	483.441	HEAHJKWNCMSIMY-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-151530
FC(F)(F)C1(N(Cc2ccccc2)C(=O)O)CCN(CC1)CC1(Oc2n(C1)cc(n2)[N+](=O)[O-])C	PC-id_77712961	483.441	HEAHJKWNCMSIMY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151531
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)COc1ccccc1C	MCULE-3202263622	483.462	GXHLVNLFQCNRAU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151532
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)COc1ccc(cc1)C	MCULE-5308031207	483.462	CHBOCNJHCDDKRZ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151533
Cc1c(cc(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1nnc(o1)C)C)F	PC-id_134599033,SCHEMBL20252934	483.467	GASZYGCDIHMIMK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151534
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCC(CC1)Oc1ccc(cc1)C(F)(F)F	SCHEMBL5542323,PC-id_69481325	483.484	JQSRFJZLJCXMDJ-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151535
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCC(CC1)Oc1ccc(cc1)C(F)(F)F	SCHEMBL5542328,PC-id_23081509	483.484	JQSRFJZLJCXMDJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151536
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(OC)c(OC)c2)sc2CCCc2c1C#N	MCULE-9178906023,EMOLS-id_333648784	483.497	HFGYDDZJAKNRDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151537
c1(NC(=O)COc2nonc2CC(=O)Nc2cc(OC)cc(OC)c2)sc2CCCc2c1C#N	EMOLS-id_333649298,MCULE-6875702575	483.497	JZXNMMNSHVMAIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151538
c1(NC(=O)COc2nonc2C(=O)NCCOc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_333714750,MCULE-7327506943	483.497	TUJRLXIYHSKOAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151539
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1c(cccc1)C(F)(F)F)CC)C(=O)OC	PC-id_24428146	483.504	OROHMQSEVUUWOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151540
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1c(cccc1)C(F)(F)F)C)C(=O)OCC	PC-id_4824886	483.504	OEDRGZUHCXSPTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151541
CN(CC(c1ccccc1F)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	SCHEMBL1205760,PC-id_24765901	483.51	MMQIUGCITNDOQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151542
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F)C	SCHEMBL1205784,PC-id_24765997	483.51	DDTBPFBNXRNBBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151543
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F)C	SCHEMBL1206274,PC-id_57523705,BindingDB_PC-id_57523705	483.51	DDTBPFBNXRNBBM-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151544
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccc(cc1)F)CN(C)C	SCHEMBL1206035,PC-id_24765801	483.51	LGCBWNLBLJSNDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151545
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccc(cc1)F)CN(C)C	PC-id_51353909,SCHEMBL12892242	483.51	LGCBWNLBLJSNDD-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151546
Fc1c([C@H](OC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(F)cc4)c3C2)(C)C)CN(C)C)cccc1	PC-id_51353908	483.51	MMQIUGCITNDOQM-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151547
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cc(c(cc1)C(=O)NCCc1ccccc1)F	PC-id_89237542,SCHEMBL14056169	483.512	JUHQBMQYNBTDAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151548
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCC(=O)Nc2ccc(F)cc2)cc1	PC-id_24414307	483.512	SNLXWCUKRRJWOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151549
Fc1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N[C@H](CN(C)C)c2ncccc2)(C)C)ccc(F)c1	PC-id_24765701	483.514	HSINQUZZETYISI-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-151550
CCOc1c(ccc(c1)C(CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)[N+](=O)[O-])OC	PC-id_137355632,SCHEMBL20580122	483.515	WSKLMHJLFLNLMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151551
CCOc1c(ccc(c1)[C@H](CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)[N+](=O)[O-])OC	PC-id_137355629,SCHEMBL20580119	483.515	WSKLMHJLFLNLMT-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151552
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)[N+](=O)[O-])OC	SCHEMBL20580129,PC-id_137355639	483.515	WSKLMHJLFLNLMT-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151553
COc1ccccc1Cn1c(=O)n(c2c1C(=O)N(C2=O)Cc1ccccc1)Cc1ccccc1OC	PC-id_69597291,SCHEMBL5891372	483.515	MQSGCEHURWJYJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151554
COc1ccc(cc1)Cn1c(=O)n(c2c1C(=O)N(C2=O)Cc1ccccc1)Cc1ccc(cc1)OC	SCHEMBL5891433,PC-id_13449207	483.515	SZRFXPUPZOBFGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151555
COC(n1c2C(=O)N(C(=O)c2n(c1=O)C(c1ccccc1)OC)Cc1ccccc1)c1ccccc1	SCHEMBL5891376,PC-id_22042543	483.515	RQSLCPRJONYYOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151556
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(F)cc3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053238	483.515	LMJOJXWHHKNLPR-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-151557
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[N@@H+](Cc1ccc(cc1)C(=O)NCC(F)(F)F)C	GD-id_ZINC27302959	483.527	DLFPUNLRPDYASI-LBPRGKRZSA-O	00000010100000110000000010000000000000000000000000000000	25-01-151558
COc1ccc(CCc2nc3s/c(=Cc4cc(OC)c(OC)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324893706	483.537	WZDQIVBIEKYAJS-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151559
COc1ccc(OCCCc2nc3s/c(=Cc4cc(OC)c(OC)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324894209	483.537	DDULIGTXIMSPCR-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151560
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-8072162352	483.537	WZDQIVBIEKYAJS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151561
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)CCCOc1ccc(OC)cc1	MCULE-5344479894	483.537	DDULIGTXIMSPCR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151562
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(nn1)c1ccc(cc1)C)C(=O)OCC	PC-id_55427932	483.537	NVMAKSORPMUYII-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151563
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(OC)c(OC)cc1	PC-id_16948067	483.537	WWUOAZIFAQKIQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151564
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_16948069	483.537	CKEOHQZSFVQSEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151565
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_16948068	483.537	RWJWMMHLZALZIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151566
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-7337700873	483.538	IIBWJTSUQBDISX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151567
n12nc(nc1sc(=Cc1cccc(c1)Oc1ccccc1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4023479012	483.538	QUIQRSXMZZCBML-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151568
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccccc1)CN(C)C)F	SCHEMBL13276341,PC-id_70872171	483.539	JUDTUVITIPZDFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151569
CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1	BindingDB-id_218962,SCHEMBL3507193,BindingDB_PC-id_59474168,PC-id_59474168	483.539	JUDTUVITIPZDFH-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151570
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCN(C3NC(=O)CCC3)CC2)(C)C)cc1	PC-id_85142086	483.539	RFXPUSXBCRQXFZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151571
c1(NC(=O)COc2cccnc2NC(=O)N2CCC(CC2)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_321857466,MCULE-9233601158	483.54	TXLINRJDMMRXJR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151572
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCC2)c1C#N	EMOLS-id_321803647,MCULE-3580452268	483.542	XYXLURCGTPUNMA-UHFFFAOYSA-N	00000010110000111000100010000000000000000000000000000000	25-01-151573
CC1(c2c(CN1C(=O)Nc1c(cc(cc1F)F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195461,SCHEMBL20348593	483.55	IOVMPGSWDZQFCZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151574
CC1(c2c(CN1C(=O)Nc1c(ccc(c1F)F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195468,SCHEMBL20348600	483.55	RGOQAYCUSXIRIH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151575
C1Cc2sc(NS(=O)(=O)c3ccc(OC)c(OCC(=O)OCC)c3)c(C(=O)OCC)c2C1	SPECS-id_AN-153/NB23483,PC-id_91962371,ZINC22_96191699,MCULE-6248113611,EMOLS-id_49213188,TIMTEC213209	483.555	IFUILSAJVSZJFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151576
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccc(F)cc1)C(=O)NCC1OCCC1	PC-id_75783745	483.555	OYBLKCRIZULFTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151577
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccc(F)cc1)C(=O)NC[C@H]1OCCC1	PC-id_52088815	483.555	OYBLKCRIZULFTH-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151578
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccc(F)cc1)C(=O)NC[C@@H]1OCCC1	PC-id_52088816	483.555	OYBLKCRIZULFTH-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151579
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	SCHEMBL14054487,PC-id_89236220	483.56	WNRUQKNXTHGEAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151580
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cccc(c1)N(Cc1ccccc1)C(=O)O	PC-id_89236013,SCHEMBL14054096	483.56	LJXXRSJEOXMIMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151581
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)O	SCHEMBL14056005,PC-id_89237402	483.56	ANFLZKQQFWQEBZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151582
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1cccc(c1)NC(=O)OCc1ccccc1	PC-id_140601004	483.56	DIQNZUCLPOBBKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151583
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)OCc1ccccc1	PC-id_140601050	483.56	NDPKGWUQNIPBFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151584
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)N1CCCCC1	PC-id_21874012,SCHEMBL2926843	483.56	LXWNXSGESOJRPJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151585
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N(C(=O)c2sccc2)C)cccc1)C(=O)N	PC-id_41997413	483.56	MUTOTCFGUQNWME-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-151586
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCO)sc2CCCc2c1C#N	EMOLS-id_331790012,MCULE-8841262106	483.563	PCWGPJMJTHUOSJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151587
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322523505,MCULE-8470305850	483.563	QTKZTOAFRRVOJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151588
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C#N	EMOLS-id_322524529,MCULE-2606257425	483.563	LEIQPBUJAMOKRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151589
CCCCN(C(=O)N)N1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)OCC(=O)N1CCCC1	PC-id_91296590	483.563	KGLVZCJQXHJSLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151590
C[C@@H]1CN(CCN1CC1CCOCC1)C(=O)N1Cc2c(C1)c(n[nH]2)NC(=O)c1noc(c1)C1CC1	PC-id_122626154,SCHEMBL18155696	483.563	HICUFYDANOANIO-OAHLLOKOSA-N	00100010100010000001100010000000000000000000000000000000	25-01-151591
s1c2c(nc1NC(=O)C1C[NH+](CCC1)Cc1onc(n1)c1cccnc1)C(CC2)C(=O)OCC	PC-id_75950307	483.563	OZLMCSYAMRXPAJ-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-151592
s1c2c(nc1NC(=O)[C@H]1C[NH+](CCC1)Cc1onc(n1)c1cccnc1)[C@@H](CC2)C(=O)OCC	PC-id_52907774	483.563	OZLMCSYAMRXPAJ-HZPDHXFCSA-O	00000010100010101001100010000000000000000000000000000000	25-01-151593
s1c2c(nc1NC(=O)[C@H]1C[NH+](CCC1)Cc1onc(n1)c1cccnc1)[C@H](CC2)C(=O)OCC	PC-id_52907776	483.563	OZLMCSYAMRXPAJ-CVEARBPZSA-O	00000010100010101001100010000000000000000000000000000000	25-01-151594
s1c2c(nc1NC(=O)[C@@H]1C[NH+](CCC1)Cc1onc(n1)c1cccnc1)[C@@H](CC2)C(=O)OCC	PC-id_52907778	483.563	OZLMCSYAMRXPAJ-JKSUJKDBSA-O	00000010100010101001100010000000000000000000000000000000	25-01-151595
s1c2c(nc1NC(=O)[C@@H]1C[NH+](CCC1)Cc1onc(n1)c1cccnc1)[C@H](CC2)C(=O)OCC	PC-id_52907780	483.563	OZLMCSYAMRXPAJ-HOTGVXAUSA-O	00000010100010101001100010000000000000000000000000000000	25-01-151596
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CC=C)sc2CCCc2c1C#N	MCULE-8745696191,EMOLS-id_331790515	483.567	DKCLKNAFJRNVDP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151597
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=Cc1cccc(c1)c1ccccc1	SCHEMBL2076137	483.578	BNRVBIHIYKFGQP-HKOYGPOVSA-N	00000010100000110000100010000000000000000000000000000000	25-01-151598
S(=O)(=O)(n1c2CCC(=Cc3cc(ccc3)c3ccccc3)c2cc1C(=O)OC)c1ccc(cc1)C	PC-id_67269515	483.578	BNRVBIHIYKFGQP-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-151599
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)OC)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5917689336,EMOLS-id_334339488	483.58	ZXMMIGZMSXGWIY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-151600
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC(C)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_45663361	483.58	RKXHBQZDGVKRPM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151601
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_51912323	483.58	RKXHBQZDGVKRPM-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151602
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_51912324	483.58	RKXHBQZDGVKRPM-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151603
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(cc1)CCC)C)C(=O)OCC	PC-id_30121803	483.58	IFKWQBKJOSLGRV-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-151604
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(cc1)CCC)C)C(=O)OCC	PC-id_30121806	483.58	IFKWQBKJOSLGRV-VWLOTQADSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151605
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)CCC)C)C(=O)OCC	PC-id_43029185	483.58	IFKWQBKJOSLGRV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151606
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_45608424	483.58	UZSGCPVBEDHCAJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151607
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_51448719	483.58	UZSGCPVBEDHCAJ-VWLOTQADSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151608
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_51448720	483.58	UZSGCPVBEDHCAJ-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-151609
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCCC)c1ccccc1)C(=O)OCC	PC-id_55326828	483.58	KOOIUOPIGVWMOZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151610
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1c(n(CCC)c(c1)C)C)C#N)C(=O)OCC	PC-id_4557711	483.58	HNOYQIJIWQKKGE-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-151611
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1OC	EMOLS-id_324824060	483.581	TXZFTFVWRSYDJC-MOHJPFBDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151612
CCOc1cc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)ccc1OC	EMOLS-id_324832502	483.581	QLHSJYMVBDSHQD-UQQQWYQISA-N	00000000100000110001000010000000000000000000000000000000	25-01-151613
CCOc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324830967	483.581	QVNPQDWCTUGVTI-UQQQWYQISA-N	00000000100000110001000010000000000000000000000000000000	25-01-151614
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1OCC	EMOLS-id_324823036	483.581	NHKOHZLIVWKHRO-MOHJPFBDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151615
COc1cc(/C=c/2sc3nc(CCc4ccc(C)cc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324910081	483.581	WULJOKGPHXNNPG-UQQQWYQISA-N	00000000100000110001000010000000000000000000000000000000	25-01-151616
n12c(=O)c(=Cc3ccc(c(OC)c3)OCCC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-2956488126	483.581	TXZFTFVWRSYDJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151617
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8659880985	483.581	NHKOHZLIVWKHRO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151618
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-7772374486	483.581	QVNPQDWCTUGVTI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151619
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-8897149588	483.581	QLHSJYMVBDSHQD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151620
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)CCc1ccc(cc1)C	MCULE-1404378352	483.581	WULJOKGPHXNNPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151621
N#Cc1c(NC(=O)CSc2nnc(c3ccc(F)cc3)n2C[C@@H]2CCCO2)sc2c1CCC2	CoCoCo_3268178,PC-id_25716482,ZINC22_13117345	483.581	JYWVIPRVKCLZRS-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151622
N#Cc1c(NC(=O)CSc2nnc(c3ccc(F)cc3)n2C[C@H]2CCCO2)sc2c1CCC2	PC-id_25716483,CoCoCo_3268179,ZINC22_13117346	483.581	JYWVIPRVKCLZRS-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151623
N#Cc1c(NC(=O)CSc2nnc(n2CC2CCCO2)c2ccc(cc2)F)sc2c1CCC2	EMOLS-id_11731896,MCULE-8829787432,PC-id_16306776	483.581	JYWVIPRVKCLZRS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151624
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1	PC-id_89237536,SCHEMBL14056161	483.582	MSDOTQUAQMDKDX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151625
COC(=O)NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCC2	GD-id_ZINC12465535	483.582	IXOCGBFPLNBDCY-GFCCVEGCSA-N	00000010100100000000000010000000000000000000000000000000	25-01-151626
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OC)c1sccc1	PC-id_44004974	483.582	IXOCGBFPLNBDCY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-151627
c1(nc(CC)cc(=O)n1C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)n1c(C)cc(C)n1	ChEMBL-DNDi_CHEMBL2093445,PC-id_16896670,MCULE-6589347328,EMOLS-id_5697093	483.583	FCFHSFBOYLBNDT-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-151628
c1(nc(C)c(c(=O)n1CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)CC)n1c(C)cc(C)n1	PC-id_18567047,EMOLS-id_30614334,MCULE-6827851380	483.583	QHDWAIFZIQQNIA-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-151629
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-1886449468,EMOLS-id_331927836	483.583	YTOHIIRUUOZTOR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151630
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CC)sc2CCCc2c1C#N	MCULE-4092996419,EMOLS-id_331926551	483.583	MXRWSSJDTCKIKG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151631
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CC)sc2CCCc2c1C#N	EMOLS-id_331926293,MCULE-7224380168	483.583	VAQOZYZLBRUGMB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151632
CCOC(=O)c1c(NC(=O)C(C)n2c(nc(C)c(C)c2=O)n2nc(C)cc2C)sc2CCCc12	EMOLS-id_32658578,MCULE-6624396494,PC-id_43993003	483.583	HJNOMACBTZEGFI-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-151633
CCOC(=O)c1c(NC(=O)[C@@H](C)n2c(n3nc(C)cc3C)nc(CC)cc2=O)sc2c1CCC2	CoCoCo_5087285,PC-id_40817935,ZINC22_8768941	483.583	FCFHSFBOYLBNDT-OAHLLOKOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-151634
CCOC(=O)c1c(NC(=O)[C@H](C)n2c(n3nc(C)cc3C)nc(CC)cc2=O)sc2c1CCC2	PC-id_40817930,ZINC22_8768937,CoCoCo_5087286	483.583	FCFHSFBOYLBNDT-HNNXBMFYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-151635
CCOC(=O)c1c(sc2c1CCC2)NC(=O)[C@H](n1c(=O)c(C)c(nc1n1nc(cc1C)C)C)C	CoCoCo_5167713	483.583	HJNOMACBTZEGFI-MRXNPFEDSA-N	00000010100000100001100010000000000000000000000000000000	25-01-151636
CCOC(=O)c1c(sc2c1CCC2)NC(=O)[C@@H](n1c(=O)c(C)c(nc1n1nc(cc1C)C)C)C	CoCoCo_5167714	483.583	HJNOMACBTZEGFI-INIZCTEOSA-N	00000010100000100001100010000000000000000000000000000000	25-01-151637
CCOC(=O)[N+]1(N=C(c2c1scc2)NC(=O)c1cccs1)C(=O)NC(c1ccccc1)(C)C	PC-id_69781978,SCHEMBL6441459	483.583	VYNULYHXHZGYPP-UHFFFAOYSA-O	00000011100100110001000010000000000000000000000000000000	25-01-151638
N#Cc1ccccc1N1CCC(C(C1)C)CNC(=O)[C@@H]([C@H](C(=O)N1Cc2c(C1)nc(s2)C)O)O	SCHEMBL8217862,PC-id_57984398	483.583	JSMJWJOISSCXGY-SQZWLKSGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151639
s1c2CN(Cc2nc1C)C(=O)C(O)C(O)C(=O)NCC1C(CN(CC1)c1c(cccc1)C#N)C	PC-id_76695807	483.583	JSMJWJOISSCXGY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151640
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(cc3)C)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053196	483.583	VSLZPQCRGVXEPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151641
c1(NC(=O)CN2CCN(CC2)c2nc(CN3CCOCC3)cc(=O)[nH]2)sc2c(CCC2)c1C#N	EMOLS-id_322524259,MCULE-3744577661	483.586	HJUQMSMJEBUXFG-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-151642
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)CC1CCC(CC1)(F)F	SCHEMBL19771908,PC-id_134170741	483.595	FDVSXYOAZSWIDH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151643
s1c2CCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)c1ccc(cc1)C)C	PC-id_4984477	483.6	DKUQWXAETLCUPR-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-151644
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_19688013	483.6	POZDLQYCZQOEAV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151645
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)Cc2ccccc2)sc2c(CCC2)c1C(=O)NC	ZINC22_16916863,EMOLS-id_22708564,CoCoCo_5058656,PC-id_27422083,MCULE-6767305489	483.603	FWIBPUXYOGMWFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151646
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)Cc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-3738798714,CoCoCo_5031892,EMOLS-id_22708306,ZINC22_17288162,PC-id_27638506	483.603	SIEJRURFJRUZRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151647
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccco2)sc2CCCc2c1C#N	MCULE-7190192394,EMOLS-id_331792310	483.603	JETROHCGIHTHKD-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-151648
CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(=O)NC	MCULE-2283709607,EMOLS-id_22708570,CoCoCo_5058661,ZINC22_17288268,PC-id_27638618	483.603	MVQXKVHAJHAXBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151649
N#C[C@@H](NC(=O)C1(N)Cc2c(C1)cco2)Cc1ccc(cc1)c1ccc(cc1)CN1CCN(CC1)C	PC-id_68353412,SCHEMBL12688199	483.605	ZWCFGPJCEDHXTG-QUWDGAPNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151650
o1c2CC(N)(Cc2cc1)C(=O)NC(Cc1ccc(c2ccc(CN3CCN(CC3)C)cc2)cc1)C#N	PC-id_77466582	483.605	ZWCFGPJCEDHXTG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151651
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCC)sc2CCCc2c1C#N	MCULE-3616806620,EMOLS-id_331784893	483.606	AJYTVCPPBMTODM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151652
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCc2c[nH]cn2)sc2CCCc2c1C#N	MCULE-8406462157,EMOLS-id_331792309	483.606	NJGQLWPKQBTMET-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151653
COc1cccc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1	SCHEMBL19195035	483.606	FQTBVXDPUKXUNZ-SJORKVTESA-N	00000010100010101001100010000000000000000000000000000000	25-01-151654
n1(CC2CCCO2)c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)nnc1c1ccccc1	SCHEMBL11920013,EMOLS-id_6512293,MCULE-1997203601,CHEMBL1368329,PC-id_647635,ASN-03932002,ChEMBL-DNDi_CHEMBL1368329	483.606	LOMXPEYOWUIILP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151655
NC(=O)c1c(NC(=O)CSc2nnc(c3ccccc3)n2C[C@@H]2CCCO2)sc2c1CCC2	PC-id_40486225,ZINC22_4411621	483.606	LOMXPEYOWUIILP-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151656
NC(=O)c1c(NC(=O)CSc2nnc(c3ccccc3)n2C[C@H]2CCCO2)sc2c1CCC2	ZINC22_4411622,PC-id_40486226	483.606	LOMXPEYOWUIILP-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151657
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)c1cccnc1)CC=C)C(=O)OCC	PC-id_17047398	483.606	IIZDDOYBDGEAQQ-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-151658
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C(=O)N	PC-id_24497076	483.606	VQNXTKOVOAXNQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151659
S1C(=NC(=O)C1CC(=O)Nc1cc(C(=O)Nc2sc3CCCc3n2)ccc1)N1CCCCC1	PC-id_43054500	483.606	NFBVMWVIZSNBMQ-UHFFFAOYSA-N	00000011100010110001100010000000000000000000000000000000	25-01-151660
Cc1csc2nc(C)c(/C=c/3sc4nc(CC(c5ccccc5)c5ccccc5)nn4c3=O)n12	EMOLS-id_324829940	483.608	QAEBKHRGTJXAOF-HMAPJEAMSA-N	00000000100000110001000110000000000000000000000000000000	25-01-151661
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-6819682488	483.608	QAEBKHRGTJXAOF-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-151662
S(=O)(=O)(n1c2c(C(C(C2=O)C(=O)OC)C(C)C)cc1CCCCC=CC=C)c1ccc(cc1)C	PC-id_74404036	483.62	LLVAXZKPWOKQQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151663
S(=O)(=O)(n1c2c([C@@H]([C@H](C2=O)C(=O)OC)C(C)C)cc1CCCC/C=C/C=C)c1ccc(cc1)C	PC-id_25191164	483.62	LLVAXZKPWOKQQS-BCHIBUOLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151664
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3C)C2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1343301053,EMOLS-id_334386456	483.623	SYLCFWJDLQQWMV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-151665
c1(NC(=O)CCCCCNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4245439110,EMOLS-id_334335151	483.623	MHKNBUBRNIHTGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151666
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335396,MCULE-3689544370	483.623	CXVWBNWAXFLQOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151667
s1c2c(CCC2)c(c1NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1)C(=O)OCC	PC-id_55853308	483.623	YPSQQIYAFHLLRD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151668
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2	MCULE-2801973246,ZINC22_89984828,PC-id_2462134,EMOLS-id_45723739	483.625	DJGBSTMHBICLTB-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-151669
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331928085,MCULE-4687666795	483.626	LHBRCDUZLUKBKZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151670
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331928089,MCULE-2729599846	483.626	GOAXQKBSWQBDJS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151671
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CC)sc2CCCc2c1C#N	EMOLS-id_331924503,MCULE-3181055717	483.626	NEWCEIPKMLDMLX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151672
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCC)sc2CCCc2c1C#N	MCULE-4997364528,EMOLS-id_331922963	483.626	XNUBEFYSWCNERC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151673
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CC(C)C)sc2CCCc2c1C#N	MCULE-2139182781,EMOLS-id_331922196	483.626	AMCZGKQKUYITIT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151674
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCCC)sc2CCCc2c1C#N	MCULE-3886364554,EMOLS-id_331922200	483.626	KVBNNQBRWGUDPK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151675
c1(NC(=O)CSc2nc(C)cc(c3cccs3)c2C#N)sc2c(CCC2)c1C(=O)OCC	ZINC22_8451109,EMOLS-id_3750246,SPECS-id_AM-807/14147318,MCULE-7422661392,PC-id_1773508,CoCoCo_6930095,STOCK3S-13480	483.626	OPTGABCGUOBQCB-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-151676
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1C)CC1CCS(=O)(=O)C1	PC-id_17569035,MCULE-1690877984,EMOLS-id_13541422,SCHEMBL21045555	483.628	RYDZKAZFJVDANY-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151677
C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4186487,ZINC22_14200792,PC-id_25988700	483.628	RYDZKAZFJVDANY-WDEREUQCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151678
C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4186489,PC-id_25988697,ZINC22_14200789,GD-id_ZINC14200789	483.628	RYDZKAZFJVDANY-MNOVXSKESA-N	00000010100000000001000010000000000000000000000000000000	25-01-151679
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25988698,CoCoCo_4186488,ZINC22_14200790	483.628	RYDZKAZFJVDANY-QWRGUYRKSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151680
C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25988699,CoCoCo_4186490,ZINC22_14200791	483.628	RYDZKAZFJVDANY-GHMZBOCLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151681
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N[C@@H](c1ccccc1)C(=O)O	PC-id_140301080	483.635	GOCRDGHPULPWOT-KRWDZBQOSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151682
Cc1ccc(cc1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772120,PC-id_134170947	483.646	GLGDLTFVXFKEFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151683
CCC1c2c(CN1Cc1ccc(cc1)C)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19772119,PC-id_134170946	483.646	NLVPQXYYHLZESK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151684
CC[C@H]1N(Cc2ccc(cc2)C)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18368086	483.646	NLVPQXYYHLZESK-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151685
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccccc1	PC-id_134171072,SCHEMBL19772252	483.646	HPQTWGRKBYVYGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151686
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccccc1	SCHEMBL18368112	483.646	HPQTWGRKBYVYGI-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-151687
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccccc4)Cc3s2)cc1	BindingDB_PC-id_145713299,BindingDB-id_722726,PC-id_145713299	483.646	HPQTWGRKBYVYGI-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151688
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cccc(c1)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368101	483.646	QYIRJENRASTDBW-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-151689
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368105	483.646	GLGDLTFVXFKEFY-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-151690
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)N1CCCCCC1	PC-id_16599279	483.648	GLLHJXKXSPQXKJ-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-151691
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C(=O)N	PC-id_24498047	483.649	ZTPOSXPGZIAVBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151692
N#Cc1c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)sc2c1CCC2	CoCoCo_3631702,EMOLS-id_3342587,PC-id_2464168,ZINC22_3347386,MCULE-9634841085	483.672	QIUCVVGAQUZLKG-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-151693
COCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817059	483.678	FCVPCBLMZQBESO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151694
COC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630840	483.678	FCVPCBLMZQBESO-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151695
OCC(c1ccccc1C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817093	483.678	KGFDMMQQGFZWFS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151696
OCCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817113	483.678	ZIBLBEIEISJLAG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151697
OCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140301081	483.678	ZIBLBEIEISJLAG-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151698
OC[C@H](c1ccccc1C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630854	483.678	KGFDMMQQGFZWFS-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151699
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](CC)(C)C	PC-id_140817138	483.678	IRNGDRZHWUPPLS-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151700
OC[C@@H](N(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C)c1ccccc1	PC-id_140301085	483.678	OWGZMNLDGOVESH-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151701
OC[C@@H](NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Cc1ccccc1	PC-id_140301086	483.678	GIOGYXMFEWNXBA-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151702
OC[C@H](NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Cc1ccccc1	PC-id_141630842	483.678	GIOGYXMFEWNXBA-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151703
OCC(NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Cc1ccccc1	PC-id_140817045	483.678	GIOGYXMFEWNXBA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151704
OCC(N(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C)c1ccccc1	PC-id_140817120	483.678	OWGZMNLDGOVESH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151705
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)NC(C(O)(C)C)c1ccccc1	PC-id_140817074	483.678	YJZXLLCGDRJDRZ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-151706
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)N[C@H](C(O)(C)C)c1ccccc1	PC-id_141630852	483.678	YJZXLLCGDRJDRZ-SFHVURJKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-151707
CC([C@@H](CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(C1(CCC1)S(C)(C)C)O)C	SCHEMBL19542032	483.711	SHFURNAKLJEECX-DIAVIDTQSA-N	00001010100000000001000010000000000000000000000000000000	25-01-151708
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8898468431	483.712	NEFIQKMVUADBSQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151709
[O-][N+](=O)c1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)ccc1Cl	EMOLS-id_324848886	483.712	NEFIQKMVUADBSQ-UUASQNMZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151710
COC(=O)c1c2CCCc2c(s1)C(=O)C=C(c1cc(c(c(c1)Cl)Cl)Cl)C(F)(F)F	SCHEMBL15194647,PC-id_89755787	483.716	LOBIEGCJDTXEOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151711
Clc1c(F)c(C(=O)Nc2sc3c(C(OC3)C)c2C(=O)c2ccccc2)c(cc1)C(F)(F)F	SCHEMBL2163283,PC-id_24772092	483.863	VYISCNZRUSHOLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151712
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2cc(c(F)cc2)C(F)(F)F)cc1	PC-id_16947443	483.866	SRCJPGOETORLCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151713
Cc1c(C(=O)C(=O)NC2(CO)CC(F)(F)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	BindingDB-id_799419,SCHEMBL19920615,PC-id_134285228	483.868	HPCCVONHFGXDOD-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-151714
CCC(C(=O)Nc1nn(Cc2cn(CC)nc2C)cc1Cl)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867505,PC-id_19591002,MCULE-9010168474,TIMTEC430174	483.918	RNUBLBBLCNKEKP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151715
CCC(C(=O)Nc1nn(Cc2cnn(CC)c2C)cc1Cl)n1nc(c2CCCc12)C(F)(F)F	EMOLS-id_8867938,PC-id_19591199,MCULE-9840833781,TIMTEC274967	483.918	KWGLSWLMISFMMA-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151716
CC[C@@H](C(=O)Nc1nn(Cc2cn(CC)nc2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092531,ZINC22_20607642	483.918	RNUBLBBLCNKEKP-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151717
CC[C@H](C(=O)Nc1nn(Cc2cn(CC)nc2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092532,ZINC22_20607643	483.918	RNUBLBBLCNKEKP-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151718
CC[C@H](C(=O)Nc1nn(Cc2cnn(CC)c2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092597,ZINC22_20607737	483.918	KWGLSWLMISFMMA-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151719
CC[C@@H](C(=O)Nc1nn(Cc2cnn(CC)c2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607736,PC-id_29092596	483.918	KWGLSWLMISFMMA-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-151720
N#Cc1c(NC(=O)CCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2c1CCC2	CoCoCo_4466908,CoCoCo_4466907,MCULE-1356346436,ZINC22_22198434,PC-id_24588936,EMOLS-id_29985556	483.938	ABZJVJSSJGSVIE-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-151721
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CS(C1)(O)O)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134285187,SCHEMBL19900894	483.941	VTBOCCOOTPUNEY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-151722
Clc1ccc(cc1)CN1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_10413040,SCHEMBL5535328	483.947	GFILILIJROUKQX-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151723
Clc1ccc(cc1)CN1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5535340,PC-id_10005537	483.947	GFILILIJROUKQX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151724
Clc1ccc(cc1)CN1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5541282,PC-id_9982771	483.947	GFILILIJROUKQX-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-151725
Clc1ccc(N2CCN(CC2)Cc2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_53469644	483.947	NUFKHIQRLGOOFK-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-151726
Clc1ccc(N2CCN(CC2)Cc2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_76037080	483.947	NUFKHIQRLGOOFK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151727
Clc1cc(NC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_5278855	483.947	JWKLLKQHXKVLMS-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-151728
Clc1cc(NC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_78381703	483.947	JWKLLKQHXKVLMS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151729
c1(NC(=O)COc2cn(c(cc2=O)C)CC(O)c2ccc(cc2)Cl)sc2CCCc2c1C#N	MCULE-9345470845,EMOLS-id_331631556	483.967	XNCWGGBVIQEQCB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151730
Clc1ccc(cc1)CCCS(=O)(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481252,SCHEMBL5541895	483.969	MNZHFDHFDNTWNI-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151731
Clc1ccc(cc1)CCCS(=O)(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5541902,PC-id_69481253	483.969	MNZHFDHFDNTWNI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151732
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1nncs1)C)Cl	SCHEMBL20252878,PC-id_134598978	483.97	COSUXERSDFYEKQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151733
Clc1ccc(cc1)NC(=O)c1c(NC(=O)C2OCCN(C2)S(=O)(=O)C)sc2c1CCC2	PC-id_135187048,SCHEMBL20339105	483.989	NSDOPEZWKITTQD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151734
CS(=O)(=O)N1CCOCC1C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)Cl	SCHEMBL20339020,PC-id_135186967	483.989	OZQJUVIGHGRHPE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151735
O=C(Nc1sc2c(c1C(=O)c1ccc(cc1)Cl)CCC2)CCc1nnc(o1)c1ccsc1	PC-id_112818819	483.99	LASXHCYPDQMEMJ-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-151736
c1(c2CCCc2sc1NC(=O)CNCCc1ccccc1)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_6723791,PC-id_3781163,ZINC22_15946669,TIMTEC228182,EMOLS-id_2785180,MCULE-5508127985	484.01	IWLHOZWZHFAXJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151737
c1(c2CCCc2sc1NC(=O)CNC(C)c1ccccc1)C(=O)Nc1c(OC)ccc(Cl)c1	EMOLS-id_2785186,MCULE-6313072249,TIMTEC397956,PC-id_3820514	484.01	QDRFMTBYEMZLJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151738
c1(NC(=O)C(C)Oc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884004,MCULE-2845041654	484.01	QDQFGJRRLUVXLJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151739
COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2)sc2c1CCC2	CoCoCo_6723795,PC-id_26875343,ZINC22_15946673	484.01	QDRFMTBYEMZLJM-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151740
COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2)sc2c1CCC2	PC-id_26875345,CoCoCo_6723794,ZINC22_15946675	484.01	QDRFMTBYEMZLJM-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151741
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2CNC(=O)C)CCC3)c1	BindingDB_PC-id_44324210,PC-id_44324210,CHEMBL90131	484.032	XISHVDBBMKVVLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151742
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)C(F)F	PC-id_155278778	484.04	NYPIULSGDYNJNT-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-151743
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)OC(C)C	SCHEMBL19771922,PC-id_134170755	484.053	DTIDWICUJBZKJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151744
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cc1ccc(cc1)OC(C)C	SCHEMBL18367906	484.053	DTIDWICUJBZKJX-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151745
C1C2=C(CN1C(=O)C3=C(C=C(C=C3O)O)NC4=CC=NN4CC5=CC=C(C=C5)C(F)(F)F)NN=C2	PC-id_155268419,CHEMBL4473441	484.147	CLFLJWZAMDCMSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151746
CN1C(=CC(=N1)C2=CC(=CC=C2)C(F)(F)F)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	CHEMBL4473021,PC-id_155268994	484.147	SIMHUZPZCIFLIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151747
CN1C(=CC(=N1)C2=CC=C(C=C2)C(F)(F)F)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	PC-id_155268648,CHEMBL4458560	484.147	UGKLCUHWIOTFIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151748
CC1(CCC(CC1)CC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)Cl)Cl	PC-id_147903638	484.153	IETMCTFRMRHISX-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-151749
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC=C5)Cl	PC-id_149847234	484.224	BWKHLVKHZLAXTL-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151750
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=C(C=C5)Cl	PC-id_150684801	484.224	JIPYKYOJSYIVPN-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151751
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC=C5Cl	PC-id_151255752	484.224	NTHDCUDMSSCPQF-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151752
CC1=C(C=CC(=C1)F)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCO[C@@H](C5)CO	PC-id_150836087	484.249	KMZSUVVZFVILNL-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151753
C[C@H]1CN([C@@H](CN1C(=O)n1c2c(CNC2(C)C)c(n1)Nc1nccc(n1)OC)C)C1CCOCC1	PC-id_163862097	484.291	PDLFUYBSMCYDBJ-CVEARBPZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-151754
CCCC[Sn](c1cc2c(s1)C(=O)N(C2)C(C)(C)C)(CCCC)CCCC	PC-id_140122559	484.317	ZSDZCIMLCWWWMX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-151755
Fc1ccc(/C=C/c2nc3s/c(=Cc4ccc(o4)c4cccc(Cl)c4Cl)/c(=O)n3n2)cc1	ZINC22_27023219,EMOLS-id_45970876	484.33	CWYATUKAFGZEQX-RILVCTJFSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151756
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-4520558850	484.33	MAHXEOXQASYCQL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151757
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3Cl)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-4184733090	484.33	CWYATUKAFGZEQX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151758
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-8571966849	484.33	KNUHQKUXWRNBAW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151759
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-3388840062	484.33	LCVGIEHGSQAUCK-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151760
n12nc(nc1sc(=Cc1ccc(c3c(cccc3Cl)Cl)o1)c2=O)COc1ccc(cc1)C	MCULE-4066559192	484.354	JSRBMPXSNFVZPQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151762
n12nc(nc1sc(=Cc1ccc(c3c(cccc3Cl)Cl)o1)c2=O)COc1ccccc1C	MCULE-6616549219	484.354	BDIPRPLMUWTUHU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151763
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3Cl)o1)c2=O)COc1ccc(cc1)C	MCULE-1498390911	484.354	UNWPHUPJLCXFCN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151764
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3Cl)o1)c2=O)COc1ccccc1C	MCULE-3578464811	484.354	IMPOQYAWZGCVJY-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151765
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)cc(Cl)c3)o1)c2=O)COc1ccc(cc1)C	MCULE-1163524007	484.354	BYVLWXBNQJEPMW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151766
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)cc(Cl)c3)o1)c2=O)COc1ccccc1C	MCULE-5584236349	484.354	JESVLQWDMWUNKI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-151767
c1(NC(=O)c2cc(OC)c(c(OC)c2Br)OC)sc2c(CCC2)c1C(=O)OCC	PC-id_1183897,MCULE-8084369413,CoCoCo_880959,TIMTEC21586,ZINC22_944145,SPECS-id_AE-641/40790518,EMOLS-id_1859822	484.361	XELBPADOCCSZMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151768
s1c2c(C(NC(=O)C(NC(=O)C(NC(=B)O)CC(C)C)Cc3ccccc3)C(O)C2=NO)cc1	PC-id_6338391	484.376	GGFBDVCKNBGEMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151769
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385171,MCULE-7010897411	484.396	NJJDNKKQVKSIGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151770
Clc1c(NC(=O)CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C)c(Cl)ccc1	PC-id_4824905	484.396	VUEKRPNYCBRTEB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151771
CCc1nn2C(=O)C(Sc2n1)[C@@H](c1cc(c(cc1)Cl)Cl)N1CCN(CC1)C(=O)OCC	PC-id_134715960	484.399	ONDNSTMXNCMJGJ-TZHYSIJRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151772
FC(F)(F)Oc1ccc(CC2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)[O-])cc1	PC-id_69635511,SCHEMBL6010969	484.406	PDEWFNMTPCXBAV-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-151773
FC(F)(F)Oc1ccc(C[C@@H]2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)[O-])cc1	PC-id_69635516,SCHEMBL6010973	484.406	PDEWFNMTPCXBAV-KTQQKIMGSA-M	00000010100010110001000010000000000000000000000000000000	25-01-151774
Brc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3CCCc23)cc1	MCULE-8228715743,ZINC22_16192888,CoCoCo_866342,EMOLS-id_2184744,PC-id_1328392	484.409	JSZMGORTWIPYMA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151775
Fc1ccc(c(c1)F)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_117993865,SCHEMBL16618235	484.409	LAVMXGKNXYHBIM-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151776
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCCC)sc2c(CCC2)c1C(=O)OC	MCULE-2108425705,PC-id_18848995	484.436	MWIUJXZIRNPECZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151777
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_18848912,MCULE-5634204467	484.436	GCZKBELQXQYNJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151778
CC1(c2c(CN1C(=O)Nc1c(cccc1Cl)Cl)c(n[nH]2)NC(=O)C1(CC1)S(C)(C)C)C	PC-id_135195489,SCHEMBL20348621	484.442	BOZKHSHEANPYES-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-151779
CC(C)CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1	PC-id_118483406,BindingDB_PC-id_118483406,SCHEMBL17222932,BindingDB-id_435282	484.462	VUOHHRCTQZELNM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151780
C[C@@H](CC=O)CN1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1c(c(c(cc1)F)F)C(F)(F)F	PC-id_137363221,SCHEMBL20589410	484.462	OWEQISRIPWXMAV-ZDUSSCGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151781
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1Cl	PC-id_20175226	484.462	BBMJBRXRMXBWQL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151782
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_20175283	484.462	TZBOOVNVRFMUPY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151783
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_20175760	484.462	NHDSDXHWXIQMHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151784
C=Cc1nn2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740380	484.47	XHERGINYIIQAKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151785
C=Cc1nn2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740379	484.47	XHERGINYIIQAKR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151786
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18740163	484.47	FKJCNFLQSDQIGQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151787
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnnn1c1ccc(cc1)OC(F)(F)F	PC-id_28228741,GD-id_ZINC19542295	484.475	URRFHTDXYSAYRK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151788
COc1ccc(cc1)C(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)N(c1ccc(cc1)F)C=O	PC-id_141257352	484.478	XMMMRXIEUXKAJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151789
COc1ccc(cc1)N(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)F)C(=O)c1ccccc1)C=O	PC-id_141257340	484.478	DCEDNGKANASQQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151790
COc1ccc(CCc2nc3s/c(=Cc4cc(OC)c(O)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1OC	EMOLS-id_324894222	484.482	BUIXGJKFXBFOLU-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151791
COc1ccc(OCCCc2nc3s/c(=Cc4cc(OC)c(O)c(c4)[N+](=O)[O-])/c(=O)n3n2)cc1	EMOLS-id_324890630	484.482	GCNYGISXOFQYQV-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151792
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-4525898843	484.482	BUIXGJKFXBFOLU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151793
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CCCOc1ccc(OC)cc1	MCULE-4744615603	484.482	GCNYGISXOFQYQV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151794
OCC(N1Cc2c(C1)nc(n2C)S(O)(O)C)CC([C@H](C(F)(F)F)c1cc(F)ccc1F)N	PC-id_144979559	484.484	QLHCSNRZSCRPPV-KDTYNDQISA-N	00000010100000110001000010000000000000000000000000000000	25-01-151795
CCOC(=O)c1c(NC(=O)CC(c2ccc(cc2)OC)NC(=O)C(F)(F)F)sc2c1CCC2	SPECS-id_AJ-326/34340018,PC-id_11837501	484.489	QACFZBKTCCSDAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151796
CCOC(=O)c1c(NC(=O)C[C@@H](c2ccc(cc2)OC)NC(=O)C(F)(F)F)sc2c1CCC2	CoCoCo_6913648,PC-id_40734852	484.489	QACFZBKTCCSDAG-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151797
CCOC(=O)c1c(NC(=O)C[C@H](c2ccc(cc2)OC)NC(=O)C(F)(F)F)sc2c1CCC2	PC-id_40734853,CoCoCo_6913649	484.489	QACFZBKTCCSDAG-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151798
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)cc(F)c2F)cc1)C(=O)OC	PC-id_20171239	484.49	STYBWDKPMAMKRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151799
O=C(c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)NC1CCC1	SCHEMBL2162617,PC-id_24772612	484.507	NGEUEPOKHUPOLO-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-151800
O=C(c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)NCC1CC1	SCHEMBL2162495,PC-id_24772678	484.507	MSLXEJKIMHUCAO-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-151801
c1(NC(=O)CSc2nc(c3ccccc3)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBL1359327,BindingDB_PC-id_1005161,ZINC22_663328,SPECS-id_AM-807/14147308,EMOLS-id_3746306,CoCoCo_6930092,STOCK3S-02262,CHEMBL1359327,PC-id_1005161,BindingDB-id_123620,MCULE-8054818376	484.517	RLPGOHKHSWOWAK-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-151802
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CC)sc2CCCc2c1C#N	MCULE-5625446176,EMOLS-id_332714821	484.518	ZNOHHDXHBXTHKN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-151803
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NC)ccc1F)C(=O)OCC	PC-id_16520649	484.518	RAPXBBRSXAWIBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151804
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(=Cc1ccc(c(OC)c1)OCC)C#N)C(=O)OC	MCULE-5044650126,PC-id_16411990	484.522	NPACDYJVJINSSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151805
CCOc1ccc(cc1OC)/C=C(C(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC)/C#N	EMOLS-id_26284010,STOCK2S-81470	484.522	NPACDYJVJINSSN-UVTDQMKNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151806
CCOc1ccc(cc1OC)/C=C(C(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC)/C#N	CoCoCo_1761460	484.522	NPACDYJVJINSSN-BAAYTWLHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151807
CCOc1ccc(cc1OC)/C=C(C(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC)/C#N	CoCoCo_1761462	484.522	NPACDYJVJINSSN-LTBFUDJGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151808
CCOc1ccc(cc1OC)/C=C(/C(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC)C#N	PC-id_1562755,CoCoCo_1761461	484.522	NPACDYJVJINSSN-YVGNARHYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151809
CCOc1ccc(cc1OC)/C=C(/C(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC)C#N	PC-id_1562757,CoCoCo_1761459	484.522	NPACDYJVJINSSN-IPJDOKCGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151810
CCOc1ccc(/C=C(C#N)/C(=O)Nc2sc3CCC(C(=O)OC)c3c2C(=O)OC)cc1OC	CHEMBL1592828,EMOLS-id_26500863,PC-id_5711118	484.522	NPACDYJVJINSSN-GXDHUFHOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151811
CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)sc2c1CCC2	PC-id_5809209,ZINC22_25424762,CoCoCo_2805789	484.522	CFJHVOPOVJYSAC-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151812
N#CCOc1ccc(cc1OC)/C=CC(=O)OCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	CoCoCo_2805790	484.522	CFJHVOPOVJYSAC-NTMALXAHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151813
N#CCOc1ccc(cc1OC)C=CC(=O)OCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_3379960,EMOLS-id_26029232,MCULE-6941995856	484.522	CFJHVOPOVJYSAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151814
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(OCc2c(onc2C)C)cc1)C(=O)OC	PC-id_42966817	484.522	LUIJJIHRKAVRRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151815
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCc2c(onc2C)C)ccc1)C(=O)OC	PC-id_45611495	484.522	LDMMXMCJNWEXSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151816
s1c2c([C@@H](CC2)C(=O)OC)c(c1NC(=O)C(=Cc1cc(OC)c(OCC)cc1)C#N)C(=O)OC	PC-id_1562756	484.522	NPACDYJVJINSSN-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151817
s1c2c([C@H](CC2)C(=O)OC)c(c1NC(=O)C(=Cc1cc(OC)c(OCC)cc1)C#N)C(=O)OC	PC-id_1562758	484.522	NPACDYJVJINSSN-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151818
CC1(c2c(CN1C(=O)C1(CCN(CC1)C1CCC1)F)c(nn2C(=O)N)OC(=O)c1ccccn1)C	PC-id_91104250	484.523	CKYUAGRATXKYSC-UHFFFAOYSA-N	00001010100010101001100010000000000000000000000000000000	25-01-151819
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1cc(ccc1)C(=O)N)C)C(=O)OCC	PC-id_56446556	484.525	CIZDSJYGWRXGSF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151820
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1Cn2c(C1)cnc2	PC-id_76476054	484.525	NNRNPKUFAQOYSP-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-151821
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1Cn2c(ncc2)C1	PC-id_76634033	484.525	FPPYGBPOADEBAB-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-151822
S(C1=C(N2[C@@H]([C@H](C2=O)C(O)C)[C@H]1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1Cn2c(C1)cnc2	PC-id_57026281	484.525	NNRNPKUFAQOYSP-RIHSQDRDSA-N	00001011100000110001001010000000000000000000000000000000	25-01-151823
S(C1=C(N2[C@@H]([C@H](C2=O)C(O)C)[C@H]1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1Cn2c(ncc2)C1	PC-id_57137240	484.525	FPPYGBPOADEBAB-WQNZTDENSA-N	00001011100000110001001010000000000000000000000000000000	25-01-151824
CCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2)Br)CCCCCCCC	PC-id_102306415	484.533	KXJSVNIFSFTWPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-151825
CC(C)(C)S(=O)(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86268746,SCHEMBL20696257	484.535	OVXGOMAQVTWRQM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151826
CC(C)CS(=O)(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696254,PC-id_86268745	484.535	VGQXCFMMQSWIMM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151827
c1(NC(=O)CSc2nc(c3cccs3)cc(n2)C(F)(F)F)sc2c(CCC2)c1C(=O)N	EMOLS-id_1420143,ZINC22_3645172,CoCoCo_280337,TIMTEC494951,BAS-03153739,PC-id_3145775,CK3119310,MCULE-1284262422	484.538	VBVFQMBLWWSLRE-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-151828
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(n(c(c1)C)c1ccc(F)cc1)C)C(=O)OCC	PC-id_4367096	484.54	PMNALBDIKLVKAO-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-151829
S1Cc2c(nn(c2NC(=O)Cc2cc(OC)c(OC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053722	484.543	YFVZDKUSXYIZMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151830
S1Cc2c(nn(c2NC(=O)COc2ccc(OCC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053715	484.543	DVCXQDUODPODFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151831
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CCCN1CCN(CC1)CCCO[N+](=O)[O-]	PC-id_9985197	484.545	HOFKCCYXBZZYND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151832
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(NC(=O)c2sccc2)cc1)C(=O)OC	PC-id_30119051	484.545	RZYIGTSLNHCULK-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-151833
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1F	PC-id_24752029,SCHEMBL4281976	484.546	PZVXPTWDWLXKPC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151834
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(cc1)F	SCHEMBL4281984,PC-id_24752031	484.546	AIRKXSLWLAUZOR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151835
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	SCHEMBL4287315,PC-id_24752030	484.546	RRLPCDAIHZAUHF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151836
O=C(N1Cc2c(C1(C)C)[nH]nc2NC1CCCN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C	SCHEMBL17872166,PC-id_121438567	484.548	DTLFYCGDSHAKIO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151837
NNC(c1cc2c(s1)C(CC2)NC(=O)c1ncnc(c1)C(=O)NCc1ccc(c(c1)C)F)NN	PC-id_143272530	484.55	HFNBONZPYYQNTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151838
O(C(=O)C1=C([N+]#[C-])C(=Nc2c(cc(N(CCO)CC)cc2)C)n2c1nnc2C)c1c(cc(cc1)C)C	PC-id_59091094	484.55	BXPWPDUQASVYQX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-151839
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(=O)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1946272337	484.565	QOUVAJUQCCXFQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151840
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)ccc1OC(=O)C	EMOLS-id_334332328	484.565	QOUVAJUQCCXFQS-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151841
COCCCn1c(C)cc(C(=O)COC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)c1C	CoCoCo_2889328,PC-id_41733792,ZINC22_10936199,EMOLS-id_23500029,MCULE-7939159118	484.565	RPWMRJSQXORHHZ-UHFFFAOYSA-N	00000010111000000000000010000000000000000000000000000000	25-01-151842
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)c1ccc(OC)cc1	PC-id_41733054	484.565	RSGYKWUJZBGALC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151843
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)NC(=O)c1c(OC)cccc1	PC-id_31430349	484.565	JMWLQGUOJHHQEN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-151844
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CN(C(=O)C1)c1ccc(cc1)CC)C(=O)OCC	PC-id_5024783	484.565	NBGSDEMLZYYDKO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-151845
Cc1ccc(cc1)S(=O)(=O)n1c2c(cc1C(=O)OC)C(=Cc1cccc(c1)c1cnccc1)CC2	SCHEMBL1003697,PC-id_87186599	484.566	KMXFHKBUQHIRHB-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-151846
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=Cc1cccc(c1)c1cccnc1	SCHEMBL1003695	484.566	KMXFHKBUQHIRHB-CJLVFECKSA-N	00000010100000111000100010000000000000000000000000000000	25-01-151847
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1CC(CC1C)NCC1CCOCC1	PC-id_145493467	484.566	CBBNZLVRJRSULD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151848
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CC2CCCO2)sc2CCCc2c1C#N	MCULE-3435735362,EMOLS-id_331922719	484.568	GINFYAOSIRORGI-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-151849
O=C(N(Cc1nn(c2c1CCC2)C)Cc1ccco1)c1ccc(cc1)S(=O)(=O)N1CCOCC1	PC-id_92109414	484.568	GLHRXZONZJXWBN-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-151850
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CN)CC1)C	PC-id_118368803,SCHEMBL17080530	484.568	NSVLHYYWJWSZSH-HSZRJFAPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151851
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CN)CC1)C	SCHEMBL17080531,PC-id_118368804	484.568	NSVLHYYWJWSZSH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151852
c1(NC(=O)COc2cccnc2NC(=O)NCCCN2CCOCC2)sc2c(CCC2)c1C#N	EMOLS-id_321872760,MCULE-5870618897	484.571	JWXKJKDLTRVHKA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151853
COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(CC(=O)Nc2nnc3SCCn23)C1=O	BindingDB-id_335185,SCHEMBL14603554,BindingDB_PC-id_71212159,PC-id_71212159	484.571	PADREXIRIZBNMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151854
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(CC(=O)Nc2nnc3SCCn23)C1=O	PC-id_71212250,BindingDB_PC-id_71212250,BindingDB-id_335186,SCHEMBL14603756	484.571	PADREXIRIZBNMQ-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151855
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(CC(=O)Nc2nnc3SCCn23)C1=O	PC-id_71212285,SCHEMBL14603841,BindingDB_PC-id_71212285,BindingDB-id_335187	484.571	PADREXIRIZBNMQ-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151856
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cn(c(n1)C)C	PC-id_24751600,SCHEMBL4283536	484.575	JWBRIEWQVQWRLC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151857
c1(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_3144120,ChEMBL-DNDi_CHEMBLF0325-0173,PC-id_3543853,EMOLS-id_5423854,CoCoCo_4970554,MCULE-2294605494	484.588	UBGSYWIOFDMRPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151858
c1(NC(=O)c2cccc(c2)S(=O)(=O)NCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	ZINC22_719568,MCULE-9961515626,CoCoCo_887573,EMOLS-id_2192558,SPECS-id_AF-399/40714904,TIMTEC21446,PC-id_1045447	484.588	TXLRMROVSAKTIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151859
CCOC(=O)c1c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408630909	484.588	XVANEMQXWQKTGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151860
CCOC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)c2ccccc2)sc2CCCc12	PC-id_22310313,MCULE-6392441458,CoCoCo_1695815,EMOLS-id_28207111,ZINC22_27520329	484.588	JKKPZJMRMMCIIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151861
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)sc2c1CCC2	ZINC22_408623548	484.588	RUGHXVHJNIBZLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151862
CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)sc2c1CCC2	ZINC22_408630304	484.588	RKGSCHZXACSUML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151863
CCOC(=O)c1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)sc2c1CCC2	ZINC22_20571309	484.588	WPMZZYIMXKVFAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151864
CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408617528	484.588	GWMCBHGJQAUEIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151865
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2cc3c(s2)CCC3)nc1C	MCULE-6131122926,EMOLS-id_43696716,PC-id_3286033,CoCoCo_2840767,ZINC22_13133753	484.588	HTGCGMQMTWIKMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151866
COC(=O)c1c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408627917	484.588	RMAVMOPSYQJFCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151867
COC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)sc2c1CCC2	ZINC22_408626215	484.588	UZRYARBYDNGYSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151868
COC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)sc2c1CCC2	ZINC22_408607608	484.588	MXSLKZZUNOKXKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151869
COC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)sc2c1CCC2	ZINC22_408609670	484.588	PQEKBXMTWABBFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151870
COC(=O)c1c(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408622201	484.588	UZTAIGWLGINMGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151871
COC(=O)c1c(NC(=O)c2ccc(N(Cc3ccccc3)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408615300	484.588	ONMDCGQIZWWAKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151872
COC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)sc2c1CCC2	ZINC22_408623729	484.588	YTQMHCYTRSSNOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151873
COC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408610490	484.588	RHZIMPCFKGFHCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151874
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408617960	484.588	IDERYONZDGZGSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151875
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408615482	484.588	ATSDZBADRGKTTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151876
COC(OC(c1ccccc1)COC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(C)CCC1)(C)C	SCHEMBL19312175	484.588	BMLSZJDJFDAAFK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151877
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C(=O)OC	PC-id_24069845	484.588	DNQPPSKSRJLZTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151878
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(n1C)C(=O)NCCc1ccccc1	SCHEMBL14054972,PC-id_89236536	484.591	ZECCSGOMLMACIT-UHFFFAOYSA-N	00000010110000110000000010000000000000000000000000000000	25-01-151879
CCOC(=O)c1c(NC(=O)CSc2nc(=O)cc(N)n2c2cccc(C)c2)sc2c1CCC2	CoCoCo_938822,ZINC22_2835792,PC-id_2192458,SCHEMBL14581070,EMOLS-id_2217037,MCULE-8545839044,TIMTEC538650	484.591	WYSPMSUWIICSAN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151880
CCOC(=O)N1NC(c2c1scc2)(NC(=O)c1cccs1)C(=O)NC(c1ccccc1)(C)C	PC-id_69781976,SCHEMBL6441457	484.591	KAWVNFGMTIMVGT-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-151881
s1c2c(CCC2)c(c1NC(=O)CSC1NC(C(C(=O)N1)C#N)c1ccccc1)C(=O)OCC	PC-id_78341637	484.591	LOPMLPNDXSVNHZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151882
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_19730838	484.591	KHWXINLREWMEPW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151883
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC=C)C(=O)OC	PC-id_19730664	484.591	PDJOHXUREFRNDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151884
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC=C)C(=O)OC	PC-id_19730454	484.591	WIDNIQIJICXAQK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151885
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)CC=C)C(=O)OC	PC-id_19733306	484.591	XMMKVBRSASZWGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151886
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)NCCc1ccc(S(=O)(=O)N)cc1	PC-id_16947643	484.591	JQJMSLTYSSEQST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151887
Cc1nc2c([nH]1)CN(C2)C(=O)c1cc(ccc1)CN1C(=O)C(N=C1N)(CCC(C)C)c1ccccc1	PC-id_135181789,SCHEMBL20332677	484.593	CUYDJSZXMQOBKV-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-151888
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccn(n1)C)C	PC-id_59508263,SCHEMBL6377362	484.594	YNZZQXURSYOWSV-GARXDOFDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151889
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cncn1C)CC1CCOCC1	PC-id_59508312,SCHEMBL6378466	484.594	HQZMUUVORXDHJZ-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151890
Cn1cnc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6378475,PC-id_59508242	484.594	UAGTYPXKAHXKME-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151891
Cn1cnc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL6377096,PC-id_59508149	484.594	SKLCUMRTIOYSIS-GARXDOFDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151892
COc1ccc(CCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1OC	EMOLS-id_335744469,MCULE-4685122527	484.594	BNLLGPXTUMFDNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151893
COc1ccc(OCCCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1	MCULE-6409175628,EMOLS-id_335804873	484.594	WBQRFPHSMSQGFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151894
COc1ccnc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	PC-id_71070278,SCHEMBL14103875	484.594	YDHNDSWNICWXHO-INIZCTEOSA-N	00000010100010100001000010000000000000000000000000000000	25-01-151895
COc1ccnc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C[C@@H]2C)C2CCOCC2)C3(C)C)n1	BindingDB-id_546083,PC-id_25155218,BindingDB_PC-id_25155218,SCHEMBL2881258	484.594	LNHNMZLZANJYFR-CVEARBPZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-151896
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncn(c4)C)c3C2)C)C)CC1	PC-id_72310292	484.594	SKLCUMRTIOYSIS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151897
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4nn(cc4)C)c3C2)C)C)CC1	PC-id_72310397	484.594	YNZZQXURSYOWSV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151898
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(Nc4nc(OC)ccn4)c3C2)(C)C)C)CC1	PC-id_78001103	484.594	YDHNDSWNICWXHO-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-151899
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4ncn(c4)C)c3C2)(C)C)C)CC1	PC-id_72310379	484.594	UAGTYPXKAHXKME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151900
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4n(cnc4)C)c3C2)(C)C)C)CC1	PC-id_72310445	484.594	HQZMUUVORXDHJZ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-151901
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1ccncc1)C(=O)N	PC-id_49833461	484.594	SONGTSLJWSAUDR-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-151902
CCc1cccc(c1)CNC[C@H]([C@@H](NC(=O)c1sc2c(c1)CCC2)Cc1cc(F)cc(c1)F)O	PC-id_68606998,SCHEMBL3347233	484.601	OOFVIYCWYCUFBN-BJKOFHAPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151903
CCc1cccc(c1)CNC[C@@H]([C@@H](NC(=O)c1sc2c(c1)CCC2)Cc1cc(F)cc(c1)F)O	SCHEMBL3347235,PC-id_57462762	484.601	OOFVIYCWYCUFBN-ZEQRLZLVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151904
s1c2c(CCC2)cc1C(=O)NC(C(O)CNCc1cc(CC)ccc1)Cc1cc(F)cc(F)c1	PC-id_21086906	484.601	OOFVIYCWYCUFBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151905
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(C)cc1	EMOLS-id_328224120,MCULE-1457938276	484.609	UDVQOOFYWXEIFL-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-151906
COC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc(C)c1c1ccc(C)cc1	EMOLS-id_328221816,MCULE-5887852129	484.609	ANIKGKYVSGAXDO-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-151907
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NCC(c1ccccc1)S(=O)(=O)c1ccccc1	EMOLS-id_328218480,MCULE-4555267116	484.609	JMNGAHKCESEADG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151908
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCCCO)sc2CCCc2c1C#N	MCULE-5373974825,EMOLS-id_331931158	484.611	SLBJGMYRLNEZHN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151909
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331922202,MCULE-8096804525	484.611	UUGNCFSTIPURIJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151910
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCCO)sc2CCCc2c1C#N	MCULE-2665277140,EMOLS-id_331929874	484.611	URBCCWGASXNONQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151911
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CC(C)O)sc2CCCc2c1C#N	MCULE-3313129686,EMOLS-id_331927068	484.611	JLALHFJKBSLDCB-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151912
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCOC)sc2CCCc2c1C#N	EMOLS-id_331921174,MCULE-9387666808	484.611	HPALCXHOOWGQLB-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151913
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCOC)sc2CCCc2c1C#N	MCULE-3047287292,EMOLS-id_331921437	484.611	GZFJASJADPHVKS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151914
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCC)sc2CCCc2c1C#N	EMOLS-id_331922706,MCULE-2393026672	484.611	KTLLJWCRMOZURJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151915
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331919894,MCULE-1751787860	484.611	YLNHHPPSAOKNCV-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151916
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCCC)sc2CCCc2c1C#N	MCULE-5925381716,EMOLS-id_331919898	484.611	OXDKGQGBPPXQFR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151917
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331925021,MCULE-3335358290	484.611	KCQIQUYTDPMCRO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151918
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331925789,MCULE-3902706856	484.611	JPSUUWFITYNXPS-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-151919
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331927827,MCULE-6337485385	484.611	GJQVVNBBJNQKPR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151920
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331928595,MCULE-7483477122	484.611	XNLANQRCKUEJNV-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-151921
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCOC)sc2CCCc2c1C#N	MCULE-2555913183,EMOLS-id_331923222	484.611	UOBYEEQAKGQGAJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151922
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCOC)sc2CCCc2c1C#N	MCULE-9451198814,EMOLS-id_331919895	484.611	QDPHPIVJFJWPGO-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-151923
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCO)sc2CCCc2c1C#N	EMOLS-id_331927838,MCULE-6943873642	484.611	VCMSSPAOJOWSSK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-151924
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCC)sc2CCCc2c1C#N	MCULE-3628965182,EMOLS-id_331920146	484.611	MPTZINFPTGSFQM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151925
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331932433,MCULE-2446184656	484.611	SGAVLQVKNSIVLV-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-151926
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCCC)sc2CCCc2c1C#N	MCULE-3233078158,EMOLS-id_331929360	484.611	RYHZTGWYRDEQCN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151927
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCC(C)C)sc2CCCc2c1C#N	MCULE-6006080452,EMOLS-id_331926033	484.611	OAKVNTYQUTWWSL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-151928
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CC2CCCO2)sc2CCCc2c1C#N	MCULE-6282266385,EMOLS-id_331924752	484.611	VXEDOGKMGHWELF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151929
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CC=C)sc2CCCc2c1C#N	EMOLS-id_331923988,MCULE-4568371793	484.611	ZMYDUTYAGRDJJT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151930
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C=CC2=O)CC)C1)C(=O)NCCCOCC	PC-id_73537723	484.611	VSOZEFSTASDKKF-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151931
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=CC(=CC2=O)C)C)C1)C(=O)NCCCOCC	PC-id_73537791	484.611	QTFYBAMKCLOXNP-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151932
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C(=CC2=O)C)C)C1)C(=O)NCCCOCC	PC-id_73537907	484.611	SCGIILYSGDVWJH-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151933
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC(=C2)C)C)C1)C(=O)NCCCOCC	PC-id_73537828	484.611	BZFMSHLVVYHBAJ-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151934
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=C(C=C2)C)C)C1)C(=O)NCCCOCC	PC-id_73537868	484.611	BVIPCXOVIVCDDK-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-151935
c1(NC(=O)COc2cccnc2NC(=O)NCCCCN(CC)CC)sc2c(CCC2)c1C#N	EMOLS-id_321875578,MCULE-6262022318	484.614	HAMUHVKDGFYCPX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151936
CC(C)CN(C(=O)COC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2)[C@@H]1CCS(=O)(=O)C1	CoCoCo_2879748,PC-id_41100810,ZINC22_9507194	484.629	MLHMEWFSGHRZEU-OAHLLOKOSA-N	00000010100000000000000010000000000000000000000000000000	25-01-151937
CC(C)CN(C(=O)COC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_9507196,CoCoCo_2879747,PC-id_41100811	484.629	MLHMEWFSGHRZEU-HNNXBMFYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-151938
CC(CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2)C	EMOLS-id_3422603,MCULE-8891648077,PC-id_4848776	484.629	MLHMEWFSGHRZEU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-151939
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC)N1CCCCCC1	PC-id_16599106	484.633	LAYXKJVWHXIMCJ-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-151941
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1sccc1	PC-id_2462133	484.633	DJGBSTMHBICLTB-UHFFFAOYSA-O	00000010100110000001000010000000000000000000000000000000	25-01-151942
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccncc1	PC-id_134170997,SCHEMBL19772176	484.634	JKSHXLWWMYQQIT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-151943
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccncc1	SCHEMBL18368002	484.634	JKSHXLWWMYQQIT-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-151944
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_17266347	484.634	ONFRMWBHSOMDTK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151945
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)C)C(=O)OCC	PC-id_20124901	484.634	IXDXZNHMFQKHPH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151946
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_20124680	484.634	UIQARSFQEWTEOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151947
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC)C(=O)OCC	PC-id_20124465	484.634	PWEUHSYMFCOZFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151948
S1C(N(c2c1scc2)CS(=O)(=O)O)C=C1Sc2sccc2N1CS(=O)(=O)O	PC-id_59893140	484.634	HXMNUECOZUNGSJ-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-151949
S1C(N(c2sccc12)CS(=O)(=O)O)C=C1Sc2c(scc2)N1CS(=O)(=O)O	PC-id_59893259	484.634	CGHFFVVRXXIVJE-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-151950
Cc1c2CC[C@@H](NC(=O)c3cnn(Cc4ccc(F)nc4C)c3)c2nn1COCC[Si](C)(C)C	PC-id_153453455,BindingDB-id_917969	484.642	BZOPKNBZYRMPLV-OAQYLSRUSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151951
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8401629452,EMOLS-id_334332330	484.651	YKALJCNJYJMLMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151952
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331919381,MCULE-9750845095	484.654	BJVKIFIHTFEYRJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151953
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331924498,MCULE-4198627567	484.654	IVMGBBGIHMUNPS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151954
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CC)sc2CCCc2c1C#N	EMOLS-id_331927318,MCULE-3661871669	484.654	AVUHMBVYHFDOIC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151955
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCCC)sc2CCCc2c1C#N	MCULE-1620059425,EMOLS-id_331919385	484.654	UKHISRKNHHBPMN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151956
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCCCC)sc2CCCc2c1C#N	MCULE-3842022728,EMOLS-id_331934481	484.654	YAWCFRHETNABMW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151957
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCCCCC)sc2CCCc2c1C#N	MCULE-4221215515,EMOLS-id_331925020	484.654	HTZGRTVUNFJHNA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151958
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CC(C)C)sc2CCCc2c1C#N	MCULE-5375261350,EMOLS-id_331922453	484.654	BVIRUSUWQDXYKS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151959
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCC)sc2CCCc2c1C#N	MCULE-7920101917,EMOLS-id_331920659	484.654	RQTPFSVHPRODRC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151960
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCCC)sc2CCCc2c1C#N	MCULE-8656362476,EMOLS-id_331929361	484.654	YMIUMEKGAYZRAV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151961
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCCC)sc2CCCc2c1C#N	MCULE-9794546523,EMOLS-id_331922457	484.654	HMSFSEOADLFTOY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-151962
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C(c1ccccc1)OC1CC1	SCHEMBL19542233	484.654	SMCOFIVOXYOGHM-UHFFFAOYSA-N	00101010100000110001000010000000000000000000000000000000	25-01-151963
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)[C@@H](c1ccccc1)OC1CC1	SCHEMBL19537388	484.654	SMCOFIVOXYOGHM-HXUWFJFHSA-N	00101010100000110001000010000000000000000000000000000000	25-01-151964
S1Cc2c(NC(=O)C3CCC(CC3)CCCC)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053518	484.654	BKXHOKSCHQNSNV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-151965
N#CC(NC(=O)C1Cc2c(C1)ccs2)Cc1ccc(cc1)c1ccc(cc1)CN1CCN(CC1)C	PC-id_144435944	484.656	JNAAJUIHAPXZRA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151966
COCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Oc1ccccc1	PC-id_140817126	484.663	KCVIUPKYMWZMEO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-151967
BrC1=C(Br)c2[se]c(Br)c(Br)c2C1	PC-id_57952943	484.667	DWIGYUCOZPOPKJ-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-151968
OCCCNc1cc(cc(n1)Nc1sc2c(n1)CCC2)SN(c1ccccc1)CCN(C)C	PC-id_144988244	484.68	OONXIJLQTYODRH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-151969
s1c2CCCc2c(c1NC(=O)CSCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C#N	PC-id_4082123	484.717	BDXGJMDMQVCRPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-151970
Fc1cccc(Cl)c1/C=c/1sc2nc(CCCOc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324915715	484.759	NZVSTNPVPUHRMX-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151971
n12nc(nc1sc(=Cc1c(cccc1Cl)F)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-3177096029	484.759	NZVSTNPVPUHRMX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151972
C[C@H](c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1cnc2n1CCC2	PC-id_68071687,SCHEMBL10233631	484.883	HEVHIZZSEOMQKA-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151973
Clc1c(cc(NC(=O)c2sc(nc2)C(NC(=O)c2n3CCCc3nc2)C)nc1)C(F)(F)F	PC-id_77453728	484.883	HEVHIZZSEOMQKA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-151974
Cc1cc(c(cc1Cl)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)F	SCHEMBL20252951,PC-id_134599050	484.911	QGZQBRIIIVPJQN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151975
Cc1c(c(c(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)F)Cl	PC-id_134599093,SCHEMBL20252996	484.911	FDXAWIUANJTRDZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151976
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1C[C@@H](C2)F)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)Cl	SCHEMBL20252902,PC-id_134599001	484.911	WVBZGJUYGIWGRX-CYBMUJFWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151977
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1C[C@H](C2)F)C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C)Cl	SCHEMBL20252912,PC-id_134599011	484.911	WVBZGJUYGIWGRX-ZDUSSCGKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151978
Cc1c(C(=O)C(=O)NC2(CC2)c2cn(C)nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134285128,SCHEMBL19900830,BindingDB-id_799403	484.911	DWRBRZDKDOKLTA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151979
Cc1nnc([nH]1)C1(CC1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12	SCHEMBL19900948,BindingDB-id_799357,PC-id_134285235	484.911	YWVFDVWCGWUNEE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-151980
CCOC(=O)c1ccc(cc1)NC(=O)COc1ccc(cc1/C=c
/sc2n(c1=O)ncn2)Cl	PC-id_97971794	484.912	CRSCJNWXEWUNFY-VCHYOVAHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151981
CCOC(=O)c1ccc(NC(=O)COc2c(C=c3c(=O)n4c(ncn4)s3)cc(Cl)cc2)cc1	EMOLS-id_9877773,MCULE-6858668648	484.912	CRSCJNWXEWUNFY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151982
CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_12580326	484.912	CRSCJNWXEWUNFY-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-151983
Clc1n(nc(c1/C=C/C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C)c1ccc(F)cc1	PC-id_24339587	484.93	UYJKHHFSKCOOOU-MDZDMXLPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151984
Clc1n(nc(c1C=CC(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C)c1ccc(F)cc1	PC-id_74262032	484.93	UYJKHHFSKCOOOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-151985
C[C@]1(COc2ccc(N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	PC-id_6483579,CHEMBL219640,SCHEMBL5541769	484.932	AKNCGQAEIOXCDV-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-151986
Clc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_10254781,SCHEMBL5539170	484.932	AKNCGQAEIOXCDV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151987
Clc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_10323086,SCHEMBL5539164	484.932	AKNCGQAEIOXCDV-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151988
Clc1ccc(cc1)OCC1CCN(CC1)c1ccc(cc1)OCC1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_11225479,SCHEMBL1047416	484.932	DHCDMYRGPXVERG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151989
Clc1ccc(cc1)OCC1CCN(CC1)c1ccc(cc1)OC[C@@H]1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_11340693,SCHEMBL1047581	484.932	DHCDMYRGPXVERG-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151990
Clc1ccc(cc1)OCC1CCN(CC1)c1ccc(cc1)OC[C@H]1Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_11752074,SCHEMBL1047415	484.932	DHCDMYRGPXVERG-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151991
Clc1ccc(C2=CCN(C(=O)N3CCN(CC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)C=C2)cc1	PC-id_77659898	484.935	XEVXINQEOSPZQY-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-151992
Clc1ccc(C2=CCN(C(=O)N3CCN(C[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)C=C2)cc1	SCHEMBL5547829,PC-id_69482981	484.935	XEVXINQEOSPZQY-QHCPKHFHSA-N	00000010100011110001100010000000000000000000000000000000	25-01-151993
Clc1c(N2CC[NH+](CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)ncc(c1)C(F)(F)F	PC-id_30100636	484.945	ABZJVJSSJGSVIE-UHFFFAOYSA-O	00000010100010101001100010000000000000000000000000000000	25-01-151994
ClC1=CC(=C2NNC(C2)C(=O)Nc2sc3c(CCC3)c2C(=O)NCc2occc2)C(=O)C=C1	PC-id_73537652	484.955	YKVUYTVZHCHVLV-UHFFFAOYSA-N	00000010101011000001100010000000000000000000000000000000	25-01-151995
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)C(=O)c2occc2)cc1	PC-id_16947355	484.955	WQCBUHZUGUCDDY-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-151996
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2c(OC)ccc(NC(=O)C)c2)cc1	PC-id_16947489	484.955	IXJMVOYHDNYRCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-151997
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1	PC-id_16947352	484.973	MLRAONQSGPDEHK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151998
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)c2c(F)cccc2)cc1	PC-id_16947351	484.973	ZSUGRAUWUMRZQV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-151999
Clc1ccc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(F)cc3)CC2)cc1	PC-id_16947317	484.973	VFIFYMZGMIMBCZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152000
Clc1cc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(F)cc3)CC2)ccc1	PC-id_16947191	484.973	GIGDPWJURLETLT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152001
Clc1c(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(F)cc3)CC2)cccc1	PC-id_16947190	484.973	PZPAEQWVTFTQQL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152002
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	GD-id_ZINC10022046,PC-id_41320075	484.974	YQOQMOBHJGKRDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152003
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)cc(S(=O)(=O)N2CCOCC2)cc1	PC-id_40925285	484.974	OYZDWBUKCULDQB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152004
Clc1c(S(=O)(=O)N2CCOCC2)cc(NC(=O)COC(=O)c2sc3CCCc3c2)cc1	PC-id_16505654	484.974	ABBACZATSKVWBO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152005
C1Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C1CN(CCO1)S(=O)(=O)N	PC-id_135200385,SCHEMBL20353969	484.977	IMNZIKIPWMUMQI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152006
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)C)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	ChEMBL-DNDi_CHEMBLD053-0255,TIMTEC239961,MCULE-6690726381,PC-id_6624664,CK3122318,EMOLS-id_2636620	484.977	JJQFTDGXPXZIKJ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-152007
CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)n1	PC-id_27315926,ZINC22_16751821,CoCoCo_2209679	484.977	JJQFTDGXPXZIKJ-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-152008
CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)n1	PC-id_27315928,CoCoCo_2209680,ZINC22_16751824	484.977	JJQFTDGXPXZIKJ-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-152009
Clc1sc2CC(Cc2c1)(CC(=O)c1cc(OCCc2cc(ccc2)C)c(OC)cc1)C(=O)O	PC-id_58318462	484.992	HHNVDMAUWWKYIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152010
c1(c2CCCc2sc1NC(=O)C(C)Oc1cccc(Cl)c1)C(=O)Nc1ccccc1OCC	MCULE-2715294022,EMOLS-id_1088277,PC-id_5130130	484.995	HAZKKAPSZUFQNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152011
CCOc1ccccc1NC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCC2	PC-id_40817926,ZINC22_8768934,CoCoCo_1731264	484.995	HAZKKAPSZUFQNZ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152012
CCOc1ccccc1NC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCC2	PC-id_40817934,ZINC22_8768940,CoCoCo_1731265	484.995	HAZKKAPSZUFQNZ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152013
Clc1c(Nc2n[nH]c3C(N(Cc23)C(=O)NC(CN(C)C)c2ccccc2)(C)C)c(F)c(cc1)C	SCHEMBL4758811,PC-id_69177505	484.997	GTXSTCJKUUGGDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152014
Clc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N[C@H](CN(C)C)c2ccccc2)(C)C)c(F)c(cc1)C	SCHEMBL4758810,PC-id_69177504	484.997	GTXSTCJKUUGGDG-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152015
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCc1ccccc1	EMOLS-id_24913501,PC-id_30862689,MCULE-7798956963,ZINC22_23139442,CoCoCo_5277743	484.998	HRSASSNBDSUMJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152016
Clc1ccc(C2(CCCC2)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc1	PC-id_44053234	484.998	NJWJSXQZANHHKV-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-152017
c1(c(c2c(s1)CCC2)C(=O)OCC)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl	CHEMBL328899,PC-id_44324419,BindingDB_PC-id_44324419	485.017	PCPHRRRABHBEPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152018
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCc3c2)C)cc(S(=O)(=O)N(CC)CC)cc1	PC-id_51451963	485.017	FGQICXGIFCYLEZ-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152019
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCc3c2)C)cc(S(=O)(=O)N(CC)CC)cc1	PC-id_51451964	485.017	FGQICXGIFCYLEZ-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152020
Clc1c(NC(=O)C(OC(=O)c2sc3CCCc3c2)C)cc(S(=O)(=O)N(CC)CC)cc1	PC-id_42979374	485.017	FGQICXGIFCYLEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152021
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]CCc2ccccc2)c(OC)cc1	GD-id_ZINC15946669,PC-id_26875340	485.018	IWLHOZWZHFAXJZ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-152022
COc1ccc(cc1NC(=O)c1c(NC(=O)C[NH2+][C@@H](c2ccccc2)C)sc2c1CCC2)Cl	GD-id_ZINC15946675	485.018	QDRFMTBYEMZLJM-OAHLLOKOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-152023
Clc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCC(CC1C)N1CCCC1	PC-id_69315443,SCHEMBL5111484	485.022	ALRQCRIQPFPBJD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152024
Clc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCC(CC1)CN1CCCC1	SCHEMBL3457844,PC-id_9982816	485.022	VVLNVEQCNKXHEF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152025
CC(C(F)(F)F)NS(=O)(=O)NC1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278749	485.03	IPHYITPUGHHCAC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152026
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931903	485.074	GMQCBIBVAVPLSD-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152027
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931929	485.074	GMQCBIBVAVPLSD-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152028
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=NN(C=C4)CC(F)F	PC-id_164931959	485.074	FUNYXKASVLPBSP-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152029
CC1CCc2c1c(I)nn2Cc1ccc(c(Br)c1)C(F)(F)F	EMOLS-id_330980604,MCULE-9348878119	485.081	YQUFDHBKFVNOMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152030
CC1CCc2c1c(I)nn2Cc1ccc(cc1Br)C(F)(F)F	EMOLS-id_330978044,MCULE-4360135291	485.081	KJPWWCPXLRXNCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152031
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3F)OCCO)SC4=NN(C=C4)CC(F)(F)F	PC-id_164872062	485.114	QOZBBTGOKMOYGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152034
Brc1c2n(CCC2C(=O)O)c(c1Br)C(=O)c1cc(ccc1)C(=O)OCC	SCHEMBL11007162,PC-id_20405057	485.123	LUSOAHIVVLEAHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152035
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NC)/N=C)C(=O)Nc1cc(cc(c1)Cl)F	PC-id_163732884	485.163	LBCSJGNKFLCRNC-PDGQHHTCSA-N	00100010100000110000000010000000000000000000000000000000	25-01-152036
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CCc1ccccc1	PC-id_78141197	485.166	FMJPJNZBXKDNSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152037
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CCc1ccccc1	PC-id_71658169	485.166	FMJPJNZBXKDNSH-OGWOLHLISA-N	00000010100000110000000010000000000000000000000000000000	25-01-152038
CCCC1=CC(=C(C=C1C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=O)C5=NN=CC=C5)N)F)O	PC-id_154689144	485.198	WHSROXKMWSCLGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152039
C[C@@H]1[C@@H](CC2=C(SC(=C12)C)C(=O)CCC3=CC(=C(C(=C3)C)OCCCNC(=O)CO)C)C(C)C	PC-id_163787730	485.26	MTZQPIAQNHTQOX-KNQAVFIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152040
COC(=O)c1c2CCCc2c(s1)C(=O)CC(c1cc(c(c(c1)Cl)F)Cl)(C(F)(F)F)O	SCHEMBL13857913,PC-id_86693748	485.277	TUEXRMAREJORBD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152041
Clc1c(S(=O)(=O)NCCCn2nc3c(CCC3)c2C(F)(F)F)cc(c(Cl)c1)C(=O)[O-]	PC-id_51853659	485.285	PGSHKEYCYFJKPQ-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-152042
Ic1c(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_16521729	485.293	QCQHFDAFFXNQHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152043
Clc1cc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1Cl	PC-id_24367275	485.338	AJUROXRZUCHOHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152044
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=CNc3sc4c(c3C#N)CCC4)/C2=O)c1C	ZINC22_408530823	485.354	MTMDUCHRVDTEBQ-NTEUORMPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152045
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3sc4c(c3C#N)CCC4)/C2=O)cc1C	TIMTEC342252,ZINC22_16267915	485.354	NTKZKOJMKSZZBO-ZROIWOOFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152046
Cc1cc(c(cc1C)Br)n1c(c(c(=O)[nH]c1=O)/C=N/c1c(c2c(s1)CCC2)C#N)O	PC-id_135498876	485.354	XBERYSQGSVVLFP-PGGKNCGUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152047
Cc1c(ccc(c1C)Br)n1c(c(c(=O)[nH]c1=O)C=Nc1c(c2c(s1)CCC2)C#N)O	PC-id_137074507	485.354	ORIACHRIKDUJPL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152048
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=CNc2sc3c(c2C#N)CCC3)/C1=O	ZINC22_408531569	485.354	ONCOZKJRMTZHIY-XNTDXEJSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152049
CCc1c(ccc(c1)Br)n1c(c(c(=O)[nH]c1=O)C=Nc1c(c2c(s1)CCC2)C#N)O	PC-id_137074701	485.354	WQRRGYZWIDZSIJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152050
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O)C	MCULE-1722568320	485.354	RLJSBYXKHBEXPO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152051
N1(c2c(Br)cc(c(C)c2)C)C(=O)C(=CNc2sc3c(CCC3)c2C#N)C(=O)NC1=O	MCULE-7379814683,PC-id_6030952	485.354	NTKZKOJMKSZZBO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152052
Clc1c(=O)n(ncc1Cl)c1ccc(S(=O)(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_24662387	485.364	LFWILDTUMGFFEL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152053
Clc1c(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)ccc(Cl)c1	PC-id_44053074	485.384	XNUPYWRRRBEXEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152054
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)Br)C(=O)Nc1ccc(cc1)OCC	ChEMBL-DNDi_CHEMBL3261-0348,TIMTEC36397,MCULE-8883946932,ZINC22_8445649,EMOLS-id_8221357,CoCoCo_1731105,PC-id_5155976,SPECS-id_AG-667/37281006	485.393	NEVWAYLDANBCAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152055
c1(c2CCCc2sc1NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1OCC	TIMTEC512686,MCULE-2919201514,PC-id_2267485,EMOLS-id_2124078,ZINC22_2948392,CoCoCo_737084	485.393	VVQAVGOYZMELBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152056
Brc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc1	PC-id_44053833	485.397	CIOFVWMRPDASFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152057
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)ccc1	PC-id_44053832	485.397	PQLZFPVDPMVOJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152058
Brc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cccc1	PC-id_44053831	485.397	CASXSKHJWGZDDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152059
FC(F)(F)Oc1ccc(CC2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc1	PC-id_69635512	485.414	PDEWFNMTPCXBAV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152060
FC(F)(F)Oc1ccc(C[C@@H]2N(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc1	PC-id_69635517	485.414	PDEWFNMTPCXBAV-KTQQKIMGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152061
FC(F)(F)Oc1ccc(COC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69635507,SCHEMBL6010965	485.414	AKCAYGMZAARMIV-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-152062
FC(F)(F)Oc1ccc(COC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77713067	485.414	AKCAYGMZAARMIV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152063
Brc1cccc(c1)N1CC(CC1=O)C(=O)N(C1CCCC1)Cc1nn(c2c1CCC2)C	PC-id_92109714	485.417	ANSAORJQYYFKGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152064
Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCC2	GD-id_ZINC16192888	485.417	JSZMGORTWIPYMA-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-152065
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7613114042,EMOLS-id_334388767	485.424	HSORPVLAKRTNPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152066
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8836892402	485.425	AWAMRKHQVOFAJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152067
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8852842743	485.425	ZJDKXNMJGBDZCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152068
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1Cl	EMOLS-id_334330278	485.425	ZJDKXNMJGBDZCE-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152069
Clc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)c(Cl)c1	EMOLS-id_334328741	485.425	AWAMRKHQVOFAJZ-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152070
S(=O)(=O)(N1Cc2c(n(nc2NC(=O)c2ccccc2)C(=O)OCC)C1)c1ccc([N+](=O)[O-])cc1	PC-id_71477567	485.47	DEXGAKDQGBQAIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152071
c1(NC(=O)COc2cccc(c2)NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_323199921,MCULE-8935394112	485.478	VSECTEBQSAZVOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152072
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-5322315451,EMOLS-id_323209862	485.478	WCZBMCQKRRGRNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152073
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccccc2C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-9262251695,EMOLS-id_323182759	485.478	KHWZFAZNUYIXGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152074
s1c2CCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)Nc1cc(ccc1)C(F)(F)F)C#N	PC-id_1672851	485.478	DOGOVDWEADFBNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152075
C#CC#Cc1c(ccc(c1F)F)C1CCN(CC1)C(=O)c1n[nH]c2c1CN(C2)C(=O)c1cccnc1	PC-id_118493365,SCHEMBL17234804	485.485	XMCJBSPYLNKOMG-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-152076
O=C(C1CCCN(C1)C(=O)OCc1ccccc1)Nc1nn(c2c1CN(C2(C)C)C(=O)O)C(=O)O	PC-id_121438517,SCHEMBL17872113	485.49	LDIDZNRQLCWLIX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152077
O=C([C@@H]1CCCN(C1)C(=O)OCc1ccccc1)Nc1nn(c2c1CN(C2(C)C)C(=O)O)C(=O)O	SCHEMBL17872112,PC-id_121438516	485.49	LDIDZNRQLCWLIX-OAHLLOKOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152078
CCOC(=O)n1nc(c2c1CN(C2)C(=O)C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C	PC-id_71168497,SCHEMBL14421913	485.493	WMDXCLQIDRGODV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152079
c1(NC(=O)CSc2nc(c3cccnc3)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C#N	MCULE-8195616139,EMOLS-id_27511196,ZINC22_12958482,PC-id_5089200	485.505	XUTKNUJDTPATLW-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-152080
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)N(C(=O)C1=O)c1c(OCC)cccc1)C(=O)OCC	PC-id_55510841	485.51	DRFHVKRDRKKIEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152081
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C(=O)OCC	PC-id_56109019	485.51	ZGKIAWGVJXEPFK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152082
O=C(c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)N1Cc2c(C1)cn(n2)CC1CCCC1	PC-id_118479173,SCHEMBL17214018	485.52	CEUMTCSBLYFJGO-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152083
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OCc1ccccc1	ZINC22_16741717,EMOLS-id_45965611	485.529	IUONSJAPMQUBLF-ZOOSRWFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152084
COc1cc(/C=c/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OCc1ccccc1	ZINC22_39835530	485.529	IUONSJAPMQUBLF-YSFZPGPYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152085
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)F	MCULE-5859899724	485.529	IUONSJAPMQUBLF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152086
OC1CCCN(C1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24751335,SCHEMBL4282329	485.531	AIPFTRDKOFPQIN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152087
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccccc3[N+](=O)[O-])o2)sc2c1CCC2	GD-id_ZINC14274111,PC-id_17113469,ZINC22_14274111	485.533	FRFCCSIYVUMDOW-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152088
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2	ZINC22_34700962,PC-id_4283949	485.533	YVBRWBCNRJHUOV-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152089
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)N1CCOCC1	SCHEMBL2921169,PC-id_21874014	485.533	IXLMERWCIPIJFZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152090
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2occc2)cc1)C#N	PC-id_16526860	485.533	TVXAKAQAVYSDPH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-152091
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1C[n+]2n(C1)ccc2	PC-id_76035529	485.533	IKBXURBDXKLVRL-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152092
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1C[n+]2n(C1)ccc2	PC-id_53465938	485.533	IKBXURBDXKLVRL-TWKYDXJASA-N	00001011100000110001001010000000000000000000000000000000	25-01-152093
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)N1CCN(CC1)C(C=O)N1CCNCC1	SCHEMBL4777549,PC-id_87726751	485.536	VLUMUXFLZBJIRC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152094
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)CC	MCULE-3910401512	485.536	QOAWSGZLHSEDTA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152095
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)CN2CCNCC2)cc1)C	PC-id_68653490,SCHEMBL3466039	485.536	LBWSBDFQFFZRKP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152096
c1(NC(=O)c2cc(on2)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCCOC	ZINC22_46086486,MCULE-4316550171,PC-id_52232566,TIMTEC170809,EMOLS-id_31499294	485.553	GKHHLVDFAJPEFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152097
C[C@@](CCN1Cc2cc(C#Cc3ccc(C4(CO)CC4)cc3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18730053,PC-id_118368859,CHEMBL4464386	485.553	BVYXOWCVBADIAQ-HSZRJFAPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152098
C[C@@](CCN1Cc2cc(C#Cc3ccc([C@H]4C[C@@H]4CO)cc3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18729947,CHEMBL4459142	485.553	JKLWIZMLGOFKFN-ZILOHOTNSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152099
C[C@@](CCN1Cc2cc(C#Cc3ccc([C@@H]4C[C@H]4CO)cc3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18730000,CHEMBL4454196	485.553	JKLWIZMLGOFKFN-ZCVJKFOLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152100
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)C1CC1CO)(C(=O)NO)S(=O)(=O)C	PC-id_91884582	485.553	JKLWIZMLGOFKFN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152101
OC[C@@H]1CC1c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	PC-id_118368897	485.553	JKLWIZMLGOFKFN-LDEFDFMYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152102
OC[C@H]1C[C@@H]1c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729950	485.553	JKLWIZMLGOFKFN-MRBOTJLVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152103
OC[C@@H]1C[C@H]1c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18730001	485.553	JKLWIZMLGOFKFN-GGGSXUAESA-N	00100010100000110001100010000000000000000000000000000000	25-01-152104
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CO)CC1)C	SCHEMBL18730055	485.553	BVYXOWCVBADIAQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152105
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(cccc1[N+](=O)[O-])C	PC-id_45663320	485.553	KPKAQAFKARBKAK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152106
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)Nc1ccccc1)C(=O)OC	PC-id_24366499	485.553	JQHGUUTUCPOFTB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152107
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1c(n(c(c1)C)CCOC)C)/C#N)C(=O)OC	PC-id_41142010	485.553	DXADZVQWPBLRLG-GZTJUZNOSA-N	00000010110000000000000010000000000000000000000000000000	25-01-152108
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1c(n(c(c1)C)CCOC)C)C#N)C(=O)OC	PC-id_74749078	485.553	DXADZVQWPBLRLG-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-152109
c1(NC(=O)c2ccccc2NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2878037797,EMOLS-id_334341794	485.554	JHDJVOPWZCTYEC-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-152110
CCOc1ccc(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_324880903	485.554	HULIBCKZETWULZ-JLPGSUDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152111
COc1cc(/C=c/2sc3nc(CCOc4ccccc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324851440	485.554	PVJHMTBTRNWYNR-ULJHMMPZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152112
COc1cc(/C=c/2sc3nc(COc4ccc(C)cc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324869640	485.554	OAOXMLGBCSFUBA-IWIPYMOSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152113
COc1cc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC	EMOLS-id_324823545	485.554	CISOCAXTGXIGFJ-JWGURIENSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152114
COc1ccc(Cc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324923917	485.554	JUWHIPKKXXAEQX-IWIPYMOSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152115
n12c(=O)c(=Cc3cc(OC)c(c(OC)c3)OC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8053425808	485.554	CISOCAXTGXIGFJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152116
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-7872269431	485.554	JUWHIPKKXXAEQX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152117
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1ccc(cc1)OCC	MCULE-8564417850	485.554	HULIBCKZETWULZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152118
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)CCOc1ccccc1	MCULE-3637113422	485.554	PVJHMTBTRNWYNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152119
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1ccc(cc1)C	MCULE-2199014759	485.554	OAOXMLGBCSFUBA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152120
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_16947897	485.554	MMDNVZMTYORTIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152121
c1(NC(=O)COc2cccnc2NC(=O)N(CC)CCC(=O)OCC)sc2c(CCC2)c1C#N	EMOLS-id_321857978,MCULE-2754633831	485.556	MDFWRCQUCPKHQG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152122
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-8764380425,EMOLS-id_331928860	485.556	OTXAQXJBLFADBQ-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-152123
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccc(F)cc1)C(=O)NCCCOCC	PC-id_52088826	485.571	PDQSELWAPWCFCZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152124
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331788727,MCULE-9667956340	485.576	YWQYFCGQSJWNBP-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-152125
CN(c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1)S(=O)(=O)c1ccccc1	PC-id_17562662,EMOLS-id_13492249,ZINC22_14120109,CoCoCo_3158483,MCULE-9058067223	485.576	WJYZFKRPGDXUGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152126
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	PC-id_3484945,CoCoCo_3218644,MCULE-9202887559,EMOLS-id_3228318,ZINC22_9613405	485.576	APZUJGZEUITKIY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152127
OCC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)c1ccccc1	PC-id_57791737,SCHEMBL13786618	485.576	OIGNPQTWWUSUPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152128
OCC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)c1ccccc1	PC-id_57791740,SCHEMBL13786617	485.576	LXIIZVGMPMYGPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152129
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(NS(=O)(=O)c2ccc(OCC)cc2)ccc1	PC-id_26872662	485.576	SMDBWZFWMLPDJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152130
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1	PC-id_24414327	485.576	BKYNACRYGBVBIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152131
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)Nc2c(OC)cccc2)c(cc1)C	PC-id_27684719	485.576	GVYRTIQZIYYIBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152132
s1c2c(CCC2)c(c1NC(=O)C1=C(NC(=S)NC1c1ccc(cc1)C(=O)OC)C)C(=O)OC	PC-id_4644328	485.576	ANNHONCYAIYYRV-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-152133
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SCc2c(onc2C)C)cccc1)C(=O)N	PC-id_45611806	485.576	FJGZZWHJMHXJRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152134
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)NCc1ccccc1)C(=O)OCC	PC-id_24372037	485.576	GIAJSNZAIPFJJX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152135
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1nc(sc1)c1c(OCC)cccc1)C(=O)N	PC-id_42438911	485.576	XARWNDWLMWYNRV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152136
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCC#N)CCC#N)sc2c(CCC2)c1C(=O)NC	PC-id_26815369,MCULE-8180720543,CoCoCo_2590262,EMOLS-id_16827783,ZINC22_15822823	485.579	DXCUCUDEOSMTHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152137
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCO)sc2CCCc2c1C#N	MCULE-3718295194,EMOLS-id_331790524	485.579	OOGMAZBFQAJPHF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-152138
CCc1occ(n1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL18155612,PC-id_122626074	485.579	IBXSIYXAQVUFKZ-VYRBHSGPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152139
CCc1ocnc1C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1CCN(C(C1)C)CC1CCOCC1	PC-id_145493452	485.579	SGANSDCAMDTTBQ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152140
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1noc(c1)C)C	SCHEMBL6378350,PC-id_59508206	485.579	AWNKGCBNSOOBTF-CKDQBVIESA-N	00000010100010000001000010000000000000000000000000000000	25-01-152141
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1onc(c1)C)C	PC-id_69759023,SCHEMBL6378387	485.579	QDDOGEHTUWACRD-GARXDOFDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152142
COCCN(c1cc(ccc1N1CCN(CC1)C)C(=O)Nc1nn(c2c1CNC2)C(=O)OCC)C	PC-id_57703889,SCHEMBL4293087	485.579	DGGPSCDLRBKVSM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152143
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4noc(c4)C)c3C2)C)C)CC1	PC-id_72310345	485.579	AWNKGCBNSOOBTF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152144
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4onc(c4)C)c3C2)C)C)CC1	PC-id_77708911	485.579	QDDOGEHTUWACRD-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152145
OCCOCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1	SCHEMBL6376245,PC-id_59508289,BindingDB_PC-id_59508289	485.579	ZMLYQIJMZLSLBT-SJORKVTESA-N	00000010100010101001000010000000000000000000000000000000	25-01-152146
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCC)sc2CCCc2c1C#N	EMOLS-id_331786173,MCULE-4145667869	485.582	NUOYJBJUWXFOKJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-152147
c1(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3611458599,EMOLS-id_334337185	485.596	IZVXYOUZINVIPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152148
COc1ccc(c(c1)S(=O)(=O)[N-]c1sc2c(c1C(=O)NCCc1ccccc1)CCC2)OC	GD-id_ZINC28249706	485.596	ZREIQMQZNODMCY-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-152149
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)Cc1cc(OC)ccc1)C(=O)OCC	PC-id_56137120	485.596	CGEIASALTNILKX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152150
c1(NC(=O)c2cc(on2)c2ccc(c(C)c2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	CoCoCo_2255349,PC-id_46264303,MCULE-7249480471,EMOLS-id_27064558	485.597	QTDXJSPXZIJPHA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152151
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccccc1)C(=O)NCCc1ccccc1	PC-id_52087757	485.597	HVMOPVZOEIDAET-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152152
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCO)sc2CCCc2c1C#N	MCULE-1439047793,EMOLS-id_331930398	485.599	XAZXLFBQRAITQP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152153
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CC)sc2CCCc2c1C#N	MCULE-2026351071,EMOLS-id_331926806	485.599	MZWQFDDYZMXUPP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152154
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCCO)sc2CCCc2c1C#N	MCULE-1284080490,EMOLS-id_331930898	485.599	QUTPQEHFMQKEKV-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152155
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CC(C)O)sc2CCCc2c1C#N	MCULE-1942072889,EMOLS-id_331923997	485.599	GCHJPJPGWBROAB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152156
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCOC)sc2CCCc2c1C#N	EMOLS-id_331922198,MCULE-3990053446	485.599	QBJXLPOEDNOAMK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152157
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCN(C)C)sc2CCCc2c1C#N	MCULE-4297180603,EMOLS-id_331929109	485.599	WPVZDFJQFGBFBT-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-152158
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCN(C)C)sc2CCCc2c1C#N	MCULE-9697147822,EMOLS-id_331931415	485.599	DYJMIKPIGFDSEX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152159
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-4113840940,EMOLS-id_331930652	485.599	NAYZNKJHHQEZPN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152160
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_331923736,MCULE-9150095215	485.599	ZINGKOBMOWQKGF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152161
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C)C)C(=O)N	PC-id_55430611	485.599	HTBDEANGEQOBGA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152162
C[C@H]1CN(C(C1)(C)CNC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(NCC2CC2)ncc1F)C	SCHEMBL19201030	485.601	DITIPFSQZYFNFA-GMBBYQRISA-N	00100010100000100001000010000000000000000000000000000000	25-01-152163
C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(NCC4CC4)ncc3F)n[nH]c2C1(C)C	BindingDB-id_546030,SCHEMBL7014241,PC-id_25156021,BindingDB_PC-id_25156021	485.601	MXXYIFUXXGULSY-AWEZNQCLSA-N	00100010100010100001000010000000000000000000000000000000	25-01-152164
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(N)nc(c1F)CC1CC1)(C)C	SCHEMBL3326612,PC-id_68597037	485.601	AWPFNSJMUDCODU-ZDUSSCGKSA-N	00100010100010100001000010000000000000000000000000000000	25-01-152165
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C)Cc1csc(n1)c1ccccc1	SCHEMBL2925383,PC-id_10299806	485.601	WLNGOUGAGHBZKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152166
CCC(N1Cc2c(C1)nc(n2CC)C(=NC)N=C(N)C)CC([C@@H](c1cc(F)ccc1F)C1CC1)N	PC-id_144979466	485.616	ROTCPIKXQUTYJO-SXKUEDQZSA-N	00100010100000110001000010000000000000000000000000000000	25-01-152167
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_3478189	485.619	AVBVGOLTCXQLKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152168
Cc1ncc(cn1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134171031,SCHEMBL19772211	485.622	FPCIILDHXCSQAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152169
Cc1nnc(cc1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19771951,PC-id_134170783	485.622	LLNIKESIGYKQFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152170
CC([C@@H]1N(Cc2ncc(cn2)C)Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL18368006	485.622	GLEYSQICLXRTSR-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152171
CC[C@@H]1N(Cc2ncc(cn2)C)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18368047	485.622	OICIYMKAWVYHGQ-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152172
CCOc1ccnc(Nc2n[nH]c3c2CN(C(=O)C2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1	SCHEMBL16624987,BindingDB-id_546122,BindingDB_PC-id_117999666,PC-id_117999666	485.622	HVLAPMIAMGTCEA-MYFVLZFPSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152173
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(nn1)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18367961	485.622	LLNIKESIGYKQFN-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152174
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1cnc(nc1)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368009	485.622	FPCIILDHXCSQAQ-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152175
s1c2c(CCC2)c(c1NC(=O)CCSc1n(N)c(nn1)CCc1ccccc1)C(=O)OCC	PC-id_17047471	485.622	KRAXFRYQYKTKOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152176
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC(C)C)c(nn1)c1ccc(OC)cc1)C(=O)N	PC-id_3498714	485.622	CJYICKCKFIYJKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152177
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCCC)c(nn1)c1ccc(OC)cc1)C(=O)N	PC-id_4557234	485.622	JNHCFGBHSRVVIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152178
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCCC)c(nn1)COc1ccccc1)C(=O)N	PC-id_23885532	485.622	XPTMELDMPUQVHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152179
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC)C(=O)OC	PC-id_20127811	485.622	VXNSRVWBZVSSBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152180
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)C)C(=O)OCC	PC-id_20127702	485.622	CGDJFXAURKXBTA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152181
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC)C(=O)OC	PC-id_20128139	485.622	JNNCCVOXPRYRGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152182
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)C)C(=O)OCC	PC-id_17268213	485.622	XJQHWKLAXPISNT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152183
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC=C)C(=O)OCC	PC-id_20127374	485.622	XGLTVFVYWFWTLC-UHFFFAOYSA-N	00000010110000000001000010000000000000000000000000000000	25-01-152184
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331930901,MCULE-5193719906	485.642	FNYQOBOIHDZOFD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152185
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331931416,MCULE-4539620769	485.642	VCGNYGOVTMWMIR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152186
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCN(CC)CC)sc2CCCc2c1C#N	MCULE-5346222688,EMOLS-id_331929620	485.642	WVGYWVRVEDSTEG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152187
CS(=O)(=O)CCNc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)C1CCNCC1	SCHEMBL17413506,PC-id_118642037	485.644	JGRFTRUISJDYEY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152188
N#CC(NC(=O)C1Cc2c(C1)cns2)Cc1ccc(cc1)c1ccc(cc1)CN1CCN(CC1)C	PC-id_144435892	485.644	PJEHEVCVTBNHDF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152189
n12/C(=N/CCCCCCCCCCCCCCCCCC)/C(=C(c1c(c(c2N)C#N)C#N)C#N)C#N	PC-id_11027311	485.667	LTXWUWZNOXHPIB-OZMGXUMRSA-N	00000011100000000000000010000000000000000000000000000000	25-01-152190
CC1(c2c(CN1C(=O)Nc1ccccc1C(C)(C)C)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348580,PC-id_135195448	485.685	JMDVXGKXMADBDZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152191
CCCCCCCCOc1nn2c(/c/1=Cc1ccc(s1)N(CCCC)CC)nnc2/C=COC	SCHEMBL13237361	485.685	PCPSFDGZWHLLSI-ZVRCFVMMSA-N	00000000100100000001000010000000000000000000000000000000	25-01-152192
CC(=O)N(C)Cc1cn(CCCCCC2CCN(C(=O)c3cc4c(s3)CC(C)(C)C4)CC2)nn1	ZINC22_1875338454	485.685	YMHLYPGCRMJEPB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152193
s1c(N(CCCC)CC)ccc1/C=c
/c(OCCCCCCCC)nn2c1nnc2C=COC	PC-id_58753049	485.685	PCPSFDGZWHLLSI-NOQFCLASSA-N	00000000100100000001000010000000000000000000000000000000	25-01-152194
s1c(N(CCCC)CC)ccc1C=c1c(OCCCCCCCC)nn2c1nnc2C=COC	PC-id_72412895	485.685	PCPSFDGZWHLLSI-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-152195
CCC(C(=O)C1(CCC1)[Si](C)(C)C)c1[nH]nc2c1CN(C2(C)C)CO[C@@H](C1CC=CC=C1)CO	PC-id_145390083	485.734	FEINFTAEBQDFSI-QETWGEEDSA-N	00001010100011000001000010000000000000000000000000000000	25-01-152196
C=CCOC(=O)N1C[C@@H](C[C@H]1CC1(O)Cn2c(S1)cnc2SC)O[Si](C(C)(C)C)(C)C	SCHEMBL7889019,PC-id_70219579	485.736	AUIQFQIKVTZICI-PTHSTZKBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-152197
S1C(O)(CC2N(CC(O[Si](C(C)(C)C)(C)C)C2)C(=O)OCC=C)Cn2c1cnc2SC	PC-id_77796748	485.736	AUIQFQIKVTZICI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-152198
Clc1cc(CNC(=O)c2n(nc3C(CCc23)C)C)ccc1OC(F)(F)C(F)OC(F)(F)F	SCHEMBL9410490,PC-id_18955421	485.808	OUHUFVAVJZFTOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152199
c1(NC(=O)CCCOc2cc(C)c(c(C)c2Br)Cl)sc2c(CCC2)c1C(=O)N	PC-id_19205936,MCULE-5324759011	485.822	UVSAZKXRCTYPHY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152200
CC(c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1cnc2n1CCN2	PC-id_136628108	485.871	FUNNZTQPVFFFIG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-152201
C[C@H](c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1cnc2n1CCN2	SCHEMBL10233584,PC-id_136423174	485.871	FUNNZTQPVFFFIG-MRVPVSSYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-152202
Cc1nnc(o1)C1(CC1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12	SCHEMBL19900965,BindingDB-id_799370,PC-id_134285249	485.895	FKUYEFIBLJWFHG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152203
BrC1[C@H](NC(=O)C(F)(F)F)c2c(C1=O)c(Br)sc2Br	PC-id_378805	485.898	IFSRPZREBSTVHH-SRBOSORUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-152204
BrC1C(NC(=O)C(F)(F)F)c2c(C1=O)c(Br)sc2Br	PC-id_495611	485.898	IFSRPZREBSTVHH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-152205
Br[C@H]1[C@H](NC(=O)C(F)(F)F)c2c(C1=O)c(Br)sc2Br	NSC662124,CoCoCo_5726744,PC-id_10254826	485.898	IFSRPZREBSTVHH-IUYQGCFVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-152206
O=C(C(F)(F)F)N[C@H]1[C@@H](Br)C(=O)c2c1c(Br)sc2Br	CoCoCo_5726743	485.898	IFSRPZREBSTVHH-QWWZWVQMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-152207
O=C(C(F)(F)F)N[C@@H]1[C@@H](Br)C(=O)c2c1c(Br)sc2Br	CoCoCo_5726745	485.898	IFSRPZREBSTVHH-DMTCNVIQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-152208
O=C(C(F)(F)F)N[C@@H]1[C@H](Br)C(=O)c2c1c(Br)sc2Br	CoCoCo_5726746	485.898	IFSRPZREBSTVHH-IMJSIDKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-152209
Cc1c(c(c(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)c1n[nH]nn1)C)F)Cl	SCHEMBL20252947,PC-id_134599046	485.899	HDGLRRFJLNKZFV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152210
Cc1c(C(=O)C(=O)NC2(CC2)c2nnn(C)n2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134586622,SCHEMBL20238955,BindingDB-id_799356	485.899	GSCXHCODZALNPR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152211
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(c(Cl)c2)F)sc2c(CCC2)c1C#N	EMOLS-id_321901307,MCULE-3067698711	485.918	NGYGEFPFAMBYON-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152212
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)c([N+](=O)[O-])cc1	PC-id_44053846	485.943	ABFRJSGMTPMYQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152213
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc([N+](=O)[O-])cc1	PC-id_44053847	485.943	WAYKVXSGLPIONK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152214
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc1	PC-id_44053848	485.943	IEPKLSWXNILRPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152215
Clc1c(cc(S(=O)(=O)C)cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_2502448	485.958	ARQJYYXPRQYTEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152216
Clc1c(S(=O)(=O)C)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_41422852	485.958	WRFQWSSBXVYVDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152217
Clc1ccc(S(=O)(=O)NC(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_55322021	485.962	QUMUGQDRXMFOOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152218
Clc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_55927577	485.962	QUMUGQDRXMFOOW-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-152219
Clc1c(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc(S(=O)(=O)NC)cc1	PC-id_43015086	485.962	KDSBYMCPIOLEFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152220
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_3083962,ZINC22_9129470,MCULE-4857794182,PC-id_5155962,EMOLS-id_3401545	485.962	CSDUABOXSWLJTG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152221
Clc1sc2CC(NC(=O)c3cc(OCCc4cc(ccc4)C)c(OC)cc3)(Cc2c1)C(=O)O	PC-id_67076304,SCHEMBL1560346	485.98	FGDMAIDWKVDEBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152222
Clc1ccc(CCNC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)cc1	PC-id_16948101	485.983	ATVWPKRFXCTSMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152223
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCc2cc(OC)c(OC)cc2)cc1	PC-id_16947387	485.983	UYZDBVMUFUYGQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152224
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=NC(=C3)Cl)F	PC-id_155278773	485.994	KAHMDKARUUCKAA-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-152225
Cc1ccc(c2ccc(/C=C/C(=O)NC(=S)Nc3sc4c(c3C(=O)N)CCC4)o2)cc1Cl	PC-id_17334711,ZINC22_57316637	486.006	FIGPGTHWOBJUSZ-CSKARUKUSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152226
Clc1c(ccc(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)c1)C	PC-id_73382726	486.006	FIGPGTHWOBJUSZ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152227
O=C(Nc1sc2c(c1C(=O)c1ccc(cc1)Cl)CCC2)Cc1csc(n1)N1CCCC1=O	PC-id_112818823	486.006	UENGBCQNCQKIFR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152228
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)CC3=CC(=C(C(=C3)F)F)F	PC-id_162186111	486.024	MFJZBRLQDWEDHW-MRVPVSSYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-152229
Clc1ccc(C(CC(=O)N2C(c3[nH]nc(NC(=O)c4sccc4)c3C2)(C)C)CN(C)C)cc1	SCHEMBL12879408,PC-id_58015612	486.029	NDTDFNCUQOIMIZ-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-152230
CC(C)(C)[Si](C)(C)OC[C@H](C1=CC(=C(C=C1)F)Cl)N2CC3=CC(=CN3C2=O)Br	PC-id_164792613	486.054	JCVSSOYZKOFJCI-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152231
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)C(F)F	PC-id_155278770	486.055	YLRPAWJZEPVJQA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152232
CC(C(F)(F)F)NS(=O)(=O)NC1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278700	486.055	VYSOIWTUBIHNRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152233
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=NN(C=N4)CC(F)F	PC-id_164931900	486.069	RHMDIIWUWIRIBN-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152234
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=NN(C=N4)CC(F)F	PC-id_164931960	486.069	RHMDIIWUWIRIBN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152235
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CN(NN1)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_163704950	486.158	KEGOZWPGYZLKKR-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-152236
CN1C=C2C(CCC2=C1C(=O)NCC3=CC(=C(C=C3)F)Cl)NC(=O)OCC4=NNN=C4C5CC5	PC-id_153398298	486.158	VJNPEAVVZDJJOH-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152237
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)CC(=O)O)CC4=CC(=CC=C4)C(F)(F)F	PC-id_161801020	486.188	ZAEVNKUIKNPJCF-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152238
COC1=CC=C(C=C1)CN2C(=CC(=N2)C3CC3)NC4=C(C(=CC(=C4)O)O)C(=O)N5CC6=C(C5)NN=C6	PC-id_155268864,CHEMBL4526450	486.202	ZOAZVVFACQDIRE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152239
CC(C)(C)OC(=O)N(CC1(CC1)CN2CC3=CN(N=C3C2)S(=O)(=O)C)[C@H]4CC4C5=CC=CC=C5	PC-id_155266032	486.23	HSYLJXFUSJVJOC-IAXKEJLGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152240
CC1=C(C=CC(=C1)F)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@H]([C@@H](C5)F)O	PC-id_152180651	486.244	VREMFVJHTKKPLG-FYYLOGMGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152241
CC1=C(C=CC(=C1)F)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@@H]([C@@H](C5)F)O	PC-id_152180652	486.244	VREMFVJHTKKPLG-GGAORHGYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152242
CC1=C(C=CC(=C1)F)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@@H]([C@H](C5)F)O	PC-id_152180653	486.244	VREMFVJHTKKPLG-GMAHTHKFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152243
CC1=C(C=CC(=C1)F)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CC[C@H]([C@H](C5)F)O	PC-id_152180654	486.244	VREMFVJHTKKPLG-JTHBVZDNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152244
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC(=C5)F)F	PC-id_149678324	486.244	AOPZSQGXNDMQON-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152245
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=CC(=C5)F)F	PC-id_150257127	486.244	GAUGBGIFYBXQKH-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152246
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)F)F	PC-id_151041238	486.244	MCDAGFPBVFGQQS-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152247
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)F)F	PC-id_151602562	486.244	QKUKHAIIODXKLQ-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152248
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)F)F	PC-id_152142208	486.244	VJLKLPXIHWRTRT-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152249
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(C(C4)(F)F)C5=CC=CC=C5	PC-id_150232592	486.244	FVULZRKRTFFOGF-HTZLVSCSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152250
C[C@H]1CN(CCN1C(=O)N2CC3=C(C2(C)C)NN=C3NC4=NC(=NC=C4F)C)CC5CCOCC5	PC-id_154989506	486.287	RIMTVGNVQOQEPP-HNNXBMFYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152251
C[C@H]1CN([C@@H](CN1C(=O)n1c2c(CNC2(C)C)c(n1)Nc1nc(ncc1F)C)C)C1CCOCC1	PC-id_163787021	486.287	MTKNVTBNHAIOHV-CABCVRRESA-N	00000010100010100001100010000000000000000000000000000000	25-01-152252
CCCC[Sn](c1cc2c(s1)C(=O)N(C2)CCOC)(CCCC)CCCC	PC-id_140122568	486.29	AKMLVFPWGOWTLF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-152253
c1(C(F)(F)F)c2CCCc2nn1CCCNS(=O)(=O)c1c(Cl)cc(c(C(=O)O)c1)Cl	EMOLS-id_8869918,MCULE-4951314447,PC-id_19615041,ZINC22_36615089	486.293	PGSHKEYCYFJKPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152254
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(cc3)C(F)(F)F)/c(=O)n2n1	EMOLS-id_324913674	486.294	BWZPIFDLOVZUIE-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152255
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccccc3C(F)(F)F)/c(=O)n2n1	EMOLS-id_324914186	486.294	CAIRTBNNFQFASX-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152256
n12c(=O)c(=Cc3ccccc3C(F)(F)F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-4321312123	486.294	CAIRTBNNFQFASX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152257
n12c(=O)c(=Cc3ccc(cc3)C(F)(F)F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5928121544	486.294	BWZPIFDLOVZUIE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152258
n1(Cc2ccccc2)c2CCCc2cc1C(=O)Nc1ccc(I)cc1C(=O)O	EMOLS-id_328217975,MCULE-9766152771	486.302	NJWTXTIUULRIGL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152259
Ic1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)cccc1	PC-id_44053001	486.327	LJKFHNKWEYXMDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152260
Brc1ccc(o1)C(=O)Nc1cccc(OCC(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_323176790,MCULE-4481111247	486.338	LQPXGLGUEASMOO-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-152261
COC(=O)c1c(NC(=S)NC(=O)c2cccc(c2)I)sc2c1CCC2	PC-id_105534277	486.347	STSUVOUHDVAAJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152262
Brc1c2c(sc1)[C@@H]([Si]([C@@H]1C(=Cc3c1scc3Br)C)(C)C)C(=C2)C	SCHEMBL821967,PC-id_66809891	486.359	URTHLAZDNPNYOY-HDICACEKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-152263
Brc1c2c(sc1)C([Si](C1C(=Cc3c1scc3Br)C)(C)C)C(=C2)C	SCHEMBL814617,PC-id_58897761	486.359	URTHLAZDNPNYOY-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-152264
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1Cl)Cl)C(=O)OC	PC-id_19172435,MCULE-4294295162	486.366	MWGGZXJPNCKANT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152265
c1(NC(=O)COc2ccc(cc2)C(=O)Nc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C#N	CoCoCo_1007096,MCULE-9167795446,ZINC22_941398,PC-id_1182099,EMOLS-id_2004673,ChEMBL-DNDi_CHEMBL7854366	486.37	BPTQXNXRIBQWJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152266
c1(NC(=O)COc2cccc(c2)NC(=O)c2cc(cc(Cl)c2)Cl)sc2c(CCC2)c1C#N	MCULE-2052166350,EMOLS-id_323169203	486.37	MEKBVMHHIXUYFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152267
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	MCULE-6007080983,EMOLS-id_323185470	486.37	RITAHWPKJDWNGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152268
Brc1cc(/C=C/2c3c(n(S(=O)(=O)c4ccc(cc4)C)c(c3)C(=O)OC)CC2)ccc1	PC-id_66873688,SCHEMBL1004673	486.378	OUIIRYGJJUTWSZ-ATVHPVEESA-N	00000010100000110000000010000000000000000000000000000000	25-01-152269
Brc1cc(/C=C/c3c(n(S(=O)(=O)c4ccc(cc4)C)c(c3)C(=O)OC)CC2)ccc1	PC-id_66873689,SCHEMBL1004675	486.378	OUIIRYGJJUTWSZ-SFQUDFHCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152270
Brc1cc(C=C2c3c(n(S(=O)(=O)c4ccc(cc4)C)c(c3)C(=O)OC)CC2)ccc1	PC-id_66873690	486.378	OUIIRYGJJUTWSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152271
c1(NC(=O)COc2ccc(cc2Br)c2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-7762379140,PC-id_1638499	486.378	DRGPIWSAVJKBBB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-152272
Brc1cc(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)cc1)C	PC-id_16947918	486.381	BSLBMRWFADJCEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152273
Brc1c(cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(OC)cc2)cc1)C	PC-id_16947923	486.381	VVPCMXOWLHZPEE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152274
c1(NC(=O)COc2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883969,MCULE-8772798089	486.381	MQGZQAIOTDYJAP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152275
Cc1c(C(=O)C(=O)NC(C)(C(=O)N)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	PC-id_134302809,BindingDB-id_799435,SCHEMBL19920520	486.392	BOOOFYIGDHEYMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152276
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC(C)(C(=O)N)C(F)(F)F	PC-id_139507402,BindingDB-id_980750,SCHEMBL21378263	486.392	PFLCRJSQFKUQIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152277
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@](C)(C(=O)N)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20259588,PC-id_134605026	486.392	BOOOFYIGDHEYMP-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152278
C[C@](C(=O)NC)(C(F)(F)F)NC(=O)C(=O)c1c2CCCn2c(c1)C(=O)Nc1cc(c(cc1)F)F	PC-id_134302808,SCHEMBL19920519	486.392	MGJZZTKLJRYTAN-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152279
Clc1cc(Cl)c(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1	BindingDB-id_154663,CHEMBL92119,BAS-00729854,BindingDB_PC-id_1102154,MCULE-4665277149,CoCoCo_124780,EMOLS-id_1267908,PC-id_1102154,ZINC22_827253	486.392	LDRAQQHRVGROSV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152280
CNC(=O)C(C(F)(F)F)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)F)F	PC-id_142295154	486.392	ZOVFENIZIYNMLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152281
O=C(C(=O)c1c2CCCn2c(c1C)C(=O)Nc1ccc(c(c1)F)F)N[C@](C(F)(F)F)(C(=O)N)C	PC-id_142295173	486.392	BOOOFYIGDHEYMP-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152282
O=C(C(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)F)F)N[C@@](C(F)(F)F)(C(=O)N)C	SCHEMBL21378262,PC-id_139507401	486.392	PFLCRJSQFKUQIO-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152283
O=C(C(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)F)F)N[C@](C(F)(F)F)(C(=O)N)C	SCHEMBL21378316,PC-id_139507450	486.392	PFLCRJSQFKUQIO-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152284
Brc1c(cc(S(=O)(=O)NCC2OCCC2)cc1)C(=O)Nc1sc2CCCc2n1	PC-id_43021944	486.403	ISYWBDGTHZFZNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152285
BrCc1nc2n(c1)CC(S2)S(=O)(=O)N[C@]1(C[C@]1(C)c1ccccc1)C(=O)OC	SCHEMBL13376422	486.403	BMKWGHSWGZSEOP-KNHHTTPFSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152286
CC1(CC1(C(=O)OC)NS(=O)(=O)C1Cn2cc(nc2S1)CBr)c1ccccc1	PC-id_89075696	486.403	BMKWGHSWGZSEOP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152287
Brc1cnn(Cc2ccc(cc2)C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	TIMTEC295678,ZINC22_2792975,MCULE-5822243882,CoCoCo_6597996,PC-id_5020700,EMOLS-id_4164067	486.408	LTMJVSMAHRALDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152288
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNc1c([N+](=O)[O-])cc(cc1)C(F)(F)F)C(=O)N	PC-id_4258220	486.422	ZITXYFRBGYGISV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152289
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C=O)Cc1cc(ccc1)C(F)(F)F	PC-id_135360638,SCHEMBL20539004	486.443	QDIFYBIOYGWTLR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152290
O=Cc1nn2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740129	486.443	QDIFYBIOYGWTLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152291
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(c1)C(F)F	PC-id_134285017,BindingDB-id_799383,SCHEMBL19900698	486.446	VQRNQBREMXXKTN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152292
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)cc1	BindingDB-id_799338,SCHEMBL19900873,PC-id_134285168	486.446	URCWFRFKJMJNLU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152293
Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1	SCHEMBL21296624,BindingDB-id_980720,PC-id_139434802	486.446	AXYSSOVPLCFYIH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152294
Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1c[nH]nn1	BindingDB-id_980730,SCHEMBL21378254,PC-id_139507393	486.446	HHSYWFISQCPWOQ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152295
Brc1c(NC2CCc3sc(Cl)cc23)c(Br)cc(Br)c1	PC-id_81252273	486.447	JKGNHNSKJNDPSN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152296
CC1(c2c(CN1C(=O)Nc1c(cccc1Cl)Cl)c(n[nH]2)NC(=O)C(C)(C)S(C)(C)C)C	PC-id_135195483,SCHEMBL20348615	486.458	DCBLLPQRZDKCKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152297
c1(NC(=O)COc2cccnc2NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_321807218,MCULE-8844965099	486.466	NSHVJUPKSDTLPR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152298
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-4260722054,EMOLS-id_321804415	486.466	DBUMVGFMGBFPNP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152299
c1(NC(=O)COc2cccnc2NC(=O)c2ccccc2C(F)(F)F)sc2c(CCC2)c1C#N	MCULE-4439009093,EMOLS-id_321806705	486.466	PDBWAYHBCUWXMZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152300
N#Cc1c(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)sc2c1CCC2	ZINC22_15481553,PC-id_5158174,EMOLS-id_42927337	486.466	ZKWYPOWLGXEDLN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152301
FC(F)(c1nn2c(C(C(=C2/C=C/c2ccc(cc2)C)C)(C)C)c1C(=O)c1ccccc1)C(F)(F)F	PC-id_16080302	486.476	AURVEAKFAIVMOV-CCEZHUSRSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152302
FC(F)(c1nn2c(C(C(=C2C=Cc2ccc(cc2)C)C)(C)C)c1C(=O)c1ccccc1)C(F)(F)F	PC-id_73235542	486.476	AURVEAKFAIVMOV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152303
Cc1nn2CCN(c2c1C(=O)NC(C)c1ccc(cc1)C(=O)O)C(C)c1ccc(cc1)C(F)(F)F	SCHEMBL20538891,PC-id_135360543	486.486	YMEQHWYQHIKEHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152304
CCc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740175	486.486	TXJXZFDNIGYEQG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152305
CCc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740173	486.486	TXJXZFDNIGYEQG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152306
CCc1nn2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740002	486.486	BRHMWCUWXKATBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152307
CCc1nn2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740000	486.486	BRHMWCUWXKATBN-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152308
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c(C)nn2c1N(CC2)[C@@H](c1ccc(cc1)C(F)(F)F)C	SCHEMBL18740130	486.486	YMEQHWYQHIKEHM-GOEBONIOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152309
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C)C	SCHEMBL18758565	486.486	BBFQCUWJVUFONJ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152310
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C)C	SCHEMBL21081535,PC-id_138705373	486.486	YILOKXAUZGYOQF-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152311
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C)C	SCHEMBL21081603,PC-id_138705437	486.486	JOXMNQYVEAYUPR-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152312
CC(CNS(=O)[O-])c1nn2c(n1)C(=NNc1nc(c(n1CC(=O)O)C#N)C#N)C(=N2)C(C)(C)C	PC-id_89330930	486.488	QPERTHWKYXKCIQ-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-152313
P(=O)(OCC)(OCC)c1ncn2C(C(OCc3ccccc3)C(OCc3ccccc3)c12)CO	PC-id_73113432	486.497	ZJNJVFSEJGRUBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152314
P(=O)(OCC)(OCC)c1ncn2[C@@H]([C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)c12)CO	PC-id_11812913	486.497	ZJNJVFSEJGRUBT-GMKZXUHWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152315
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2C[C@H](N(CC2)C(=O)[O-])C(C)(C)C)cc1)C	PC-id_69635355,SCHEMBL6010808	486.498	JYFCVRTZZIQQHH-NVHKAFQKSA-M	00000010100010110001000010000000000000000000000000000000	25-01-152316
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CC(N(CC2)C(=O)[O-])C(C)(C)C)cc1)C	PC-id_69635430,SCHEMBL6010890	486.498	JYFCVRTZZIQQHH-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-152317
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_45606151	486.498	CNCAMHBXHTYPQJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152318
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_51438395	486.498	CNCAMHBXHTYPQJ-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152319
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_51438396	486.498	CNCAMHBXHTYPQJ-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152320
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1cc([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_55684965	486.498	IUTLQZUBSYFURK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152321
COc1cc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc(c1O)[N+](=O)[O-]	EMOLS-id_324823549	486.499	HFMPRDIGQKSPKB-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152322
n12c(=O)c(=Cc3cc(c(O)c(N(=O)=O)c3)OC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-9974908084	486.499	HFMPRDIGQKSPKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152323
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-1506446770	486.499	SEZCKLYSTKERRJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152324
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-4776509378	486.499	ODZDXMFRRJCIAW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152325
N#Cc1c(NC(=O)COC(=O)/C(=C/c2ccco2)/n2nnnc2c2ccccc2)sc2c1CCC2	CoCoCo_2883915,ZINC22_9463302,PC-id_16284721	486.503	CZJBEZFIQHBTOR-UNOMPAQXSA-N	00000010101000110001100010000000000000000000000000000000	25-01-152326
N#Cc1c(NC(=O)COC(=O)C(=Cc2ccco2)n2nnnc2c2ccccc2)sc2c1CCC2	EMOLS-id_43711331,PC-id_71954316,MCULE-2401514565	486.503	CZJBEZFIQHBTOR-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-152327
N#Cc1c(NC(=O)COC(=O)/C(=Cc2ccco2)/n2nnnc2c2ccccc2)sc2c1CCC2	ZINC22_97654838,PC-id_97930820,CoCoCo_2883916	486.503	CZJBEZFIQHBTOR-XDHOZWIPSA-N	00000010101000110001100010000000000000000000000000000000	25-01-152328
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCc1oc(c2ccc(F)cc2)cn1)C(=O)OCC	PC-id_42490682	486.513	YTSMPWMFRSMYFE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152329
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)F)c2=O)Cc1ccccc1	MCULE-3538313314	486.517	AYBIVOAPSDQLOU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152330
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1C[n+]2n(C1)cnc2	PC-id_85110506	486.521	VWEFNLNCHJSKLT-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152331
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1C[n+]2n(C1)cnc2	PC-id_10324432	486.521	VWEFNLNCHJSKLT-XHSVMWQWSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152332
CC(CNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)C	PC-id_24772614,SCHEMBL2163253	486.523	SBJBYIDVDCUBDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152333
CCOC(=O)c1c(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)sc2c1CCC2	EMOLS-id_43827612,PC-id_16290016,MCULE-7494082006,ZINC22_13109364,CoCoCo_3268283	486.536	GYCCHNNKDYIRHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152334
CCOC(=O)c1c(C)nn(c1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1cccc(F)c1	EMOLS-id_328224123,MCULE-9722831054	486.537	WZWSGBGPFMWSBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152335
CC(=O)Nc1c2c(cs1)C(=O)N(C2=O)C(CC(=O)OC)c1cc(c(cc1)OC)OC1CCCC1	SCHEMBL15015422,PC-id_89617309	486.537	IRPAKLVVJHYYIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152336
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CN(C(=O)C1)c1ccc(OCC)cc1)C(=O)OC	PC-id_24378970	486.537	NYVWYUBCIRNMLO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-152337
N#Cc1ccc(cc1F)NC(=O)c1cnc2n1C(CCCS(=O)(=O)c1cccc(c1)O)CS2	PC-id_70032797,SCHEMBL7246495	486.539	YCFZGYUNJRDAFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152338
CC1CCN(c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C(=O)N)CCC4)cc2[N+](=O)[O-])CC1	CoCoCo_2980907,CoCoCo_2980908,MCULE-4812549619,PC-id_41407771,EMOLS-id_43743088,ZINC22_10210028	486.541	ADWOKYDRXGYWFF-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152339
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(N)COC1)C	PC-id_118368915,SCHEMBL18729895	486.541	JABRZMHOLNFIQQ-JOCHJYFZSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152340
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(N)COC1)C	SCHEMBL18729896	486.541	JABRZMHOLNFIQQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152341
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cn1)C1(CO)CC1)C	PC-id_118368762,SCHEMBL17080499	486.541	AORDHQHGINQBNZ-JOCHJYFZSA-N	00100010100000101001100010000000000000000000000000000000	25-01-152342
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cn1)C1(CO)CC1)C	SCHEMBL17080500,PC-id_118368763	486.541	AORDHQHGINQBNZ-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-152343
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(nc1)C1(CO)CC1)C	PC-id_118368872,SCHEMBL18730038	486.541	WMJZBTIWXSHFIE-JOCHJYFZSA-N	00100010100000101001100010000000000000000000000000000000	25-01-152344
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(nc1)C1(CO)CC1)C	SCHEMBL18730040	486.541	WMJZBTIWXSHFIE-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-152345
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N2CC(CCC2)C)cc1)C(=O)N	PC-id_42965179	486.541	JSIDFAAJAPBPBX-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152346
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N2CCCCCC2)cc1)C(=O)N	PC-id_3974745	486.541	WOMAHYYBTVXVFR-UHFFFAOYSA-N	00000010100000110100100010000000000000000000000000000000	25-01-152347
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](CCC2)C)cc1)C(=O)N	PC-id_51474388	486.541	JSIDFAAJAPBPBX-CYBMUJFWSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152348
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](CCC2)C)cc1)C(=O)N	PC-id_51474389	486.541	JSIDFAAJAPBPBX-ZDUSSCGKSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152349
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N2CCC(CC2)C)ccc([N+](=O)[O-])c1)C(=O)N	PC-id_45658686	486.541	NBNKGEUIHFLSQA-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152350
CC1CN(C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(cc(cc1)F)F)C)C1CCC1	PC-id_91595161	486.557	PORWMFIGFCNAJO-UHFFFAOYSA-N	00001010100010110001100010000000000000000000000000000000	25-01-152351
COc1ccc(cc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)c(sc2)N)CS(=O)(=O)C	PC-id_141237107	486.561	DESBSGCHJNKXAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152352
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1nc(sc1)c1ccc(OC)cc1)C(=O)OCC	PC-id_28086594	486.561	JPTZOOBYYRFVLZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152353
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)c2ccccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053710	486.561	VAARXLAINXYCKK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152354
CN(CCN(c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)C)C	SCHEMBL4283549,PC-id_24751472	486.562	WCLBKQHPPMDJIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152355
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)Nc3nc4c(s3)CCC4)cc2)cc1	PC-id_30796771,EMOLS-id_29994457,MCULE-5620335737,CoCoCo_4626357,ZINC22_23040849	486.564	CFCCOJCGTVGZJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152356
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)N(C)C)c1ccccc1	PC-id_57791583,SCHEMBL13786655	486.564	NSPMXPYHGMWAFD-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152357
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)N(C)C)c1ccccc1	PC-id_57791616,SCHEMBL8027573	486.564	YMUSHHNRWRKYAJ-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152358
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1scc(n1)CC(=O)OCC	PC-id_16947927	486.564	BAVZLIOCBQPIHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152359
S1(=O)(=O)N(Cc2c1sc(NC(=O)c1ccc(N(C)C)cc1)c2)C(c1ccccc1)C(=O)NO	PC-id_76606589	486.564	YMUSHHNRWRKYAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152360
S1(=O)(=O)N(Cc2sc(NC(=O)c3ccc(N(C)C)cc3)cc12)C(c1ccccc1)C(=O)NO	PC-id_76606586	486.564	NSPMXPYHGMWAFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152361
C[C@@H]1CN([C@H](CN1CC1CCOCC1)C)C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1nonc1C	PC-id_69758748,SCHEMBL6377415	486.567	YITXENGVLRFDDH-CNYCQXTOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152362
O=C(N1Cc2c(C1C)[nH]nc2NC(=O)c1nonc1C)N1CCCN([C@@H](C1)C)CC1CCOCC1	SCHEMBL18155606,PC-id_122626068	486.567	IEWHDHFARGARLH-IURRXHLWSA-N	00000010100010000101000010000000000000000000000000000000	25-01-152363
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1598991219	486.58	KBXVRYHTJKKMHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152364
c1(NC(=O)COC(=O)C(CC(C)C)NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-1998969084,TIMTEC192554,EMOLS-id_6107942,PC-id_4355748	486.58	HITDLQFUZNKDRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152365
CCOC(=O)c1c(NC(=O)C2CN(CCc3ccc(OC)c(OC)c3)C(=O)C2)sc2CCCc12	EMOLS-id_327851177,MCULE-6666746455	486.58	XHIFHQRUAQQDDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152366
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2)sc2c1CCC2	PC-id_7567317,ZINC22_5225256,CoCoCo_1929526	486.58	HITDLQFUZNKDRU-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152367
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)sc2c1CCC2	ZINC22_5225262,PC-id_7567322,CoCoCo_1929525	486.58	HITDLQFUZNKDRU-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152368
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)NC(=O)c2ccc(cc2)C)sc2c1CCC2	CoCoCo_4959601	486.58	RQDIWCOSJSDVRG-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152369
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)sc2c1CCC2	MCULE-3557463007,ZINC22_13137419,PC-id_16248381,CoCoCo_4959600,EMOLS-id_44140415	486.58	RQDIWCOSJSDVRG-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152370
COc1ccc(cc1NC(=O)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)OC	GD-id_ZINC10933430,PC-id_45663368	486.58	HUCISVKRNMNYSE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152371
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)cc(OC)c1OC	EMOLS-id_334335399	486.58	KBXVRYHTJKKMHD-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152372
COc1cc(OC)ccc1NC(=O)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	PC-id_45663319,GD-id_ZINC10932273	486.58	MLGOWQRYJORLSU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152373
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OCC)c(OCCCC)cc1)C(=O)N	PC-id_5116497	486.58	VHHJLTRJUSPVRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152374
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OCC)c(OCCCC)cc1)C(=O)N	PC-id_6274737	486.58	VHHJLTRJUSPVRH-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152375
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCC(=O)c1ccc(OCCCCC)cc1)C(=O)N	PC-id_24332985	486.58	CNZJLGDZUHNSHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152376
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccc(cc1)C)C(C)C)C(=O)OCC	PC-id_3985017	486.58	RQDIWCOSJSDVRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152377
CCOC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)sc2c1CCC2	CoCoCo_3064163,ZINC22_9284170,PC-id_4856715,MCULE-1275647648,EMOLS-id_3477749	486.582	KYWPBGZVGCUBPE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-152378
O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1	CoCoCo_4164103,PC-id_16385192,MCULE-8804111444,ZINC22_9221047,EMOLS-id_11854131	486.582	DQCSHRMEAXYOAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152379
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)CC=C)C(=O)OCC	PC-id_19729715	486.582	VCSRZLVARUOZNU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152380
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCOCCO)sc2CCCc2c1C#N	MCULE-4565590363,EMOLS-id_331930393	486.584	GVADASJXOOTUAG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152381
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCO)sc2CCCc2c1C#N	EMOLS-id_331930141,MCULE-7600444933	486.584	PUTAKUWPQKDDHJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-152382
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCCO)sc2CCCc2c1C#N	EMOLS-id_331928596,MCULE-7404429011	486.584	NVCCJUQLJRDMLD-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-152383
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CC(C)O)sc2CCCc2c1C#N	MCULE-9894591102,EMOLS-id_331925790	486.584	NSIYUAARKYTEHW-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-152384
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCOC)sc2CCCc2c1C#N	EMOLS-id_331919896,MCULE-2514511408	486.584	SEYAIOAIEPZLBD-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-152385
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCO)sc2CCCc2c1C#N	MCULE-9067685254,EMOLS-id_331927581	486.584	JPJASTIEBCMXOU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152386
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCCCO)sc2CCCc2c1C#N	MCULE-7053611681,EMOLS-id_331928087	486.584	PJPWJZPOXGVKDS-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-152387
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCOCC)sc2CCCc2c1C#N	MCULE-9031819005,EMOLS-id_331923226	486.584	XRHAQKJNVHQSRM-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-152388
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCOC)sc2CCCc2c1C#N	MCULE-6312128041,EMOLS-id_331920668	486.584	SHYYNAHOWPEPQD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152389
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331923472,MCULE-9152703189	486.584	IMMPARJIIHQFEE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152390
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CCCC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484993,PC-id_135315502	486.584	YXQGUQJQFOKPTP-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-152391
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C1CCCC1)C	SCHEMBL20484992	486.584	YXQGUQJQFOKPTP-XMMPIXPASA-N	00001010100000000001100010000000000000000000000000000000	25-01-152392
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1ncc(cc1)C(=O)OCC)C(=O)OCC	PC-id_38775435	486.584	RVHLLGLUNXXHRG-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-152393
s1c2c(CCC2)c(c1NC(=O)CN(CC)CC(=O)Nc1ccc(NC(=O)C)cc1)C(=O)OCC	PC-id_24427846	486.584	MFNQAIAWCLRRCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152394
c1(NC(=O)c2[nH]nc(c3ccc(cc3O)C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9510225133,PC-id_135785273	486.585	QUSATWRIFBOKFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152395
c1(NC(=O)c2[nH]nc(c3cccc(C)c3O)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4561500688,PC-id_135675441	486.585	QCBDYJQXBAGSJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152396
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCC2)c1C#N	MCULE-1971875279	486.585	JWWQINNOAFZIFS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152397
Cc1cc(c(cc1)O)c1n[nH]c(c1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)NCCc1ccccc1	PC-id_135785255	486.585	BAFSJKDUCDHQDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152398
CC(C)c1ccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_321804414	486.585	JWWQINNOAFZIFS-JLHYYAGUSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152399
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(C=CC2=O)C)/NN1)C(=O)NCCc1ccccc1	PC-id_19130944	486.585	AENKNRONFYOXQB-VXPUYCOJSA-N	00000011100011110001100010000000000000000000000000000000	25-01-152400
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=O)C(=CC=C2)C)/NN1)C(=O)NCCc1ccccc1	PC-id_19119214	486.585	HHPKKBVPUHHKOW-CZIZESTLSA-N	00000011100011110001100010000000000000000000000000000000	25-01-152401
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C=C(C=C2)C)/NN1)C(=O)NCCc1ccccc1	PC-id_19130975	486.585	FBMBULOWNCUTQP-ZZEZOPTASA-N	00000011100011110001100010000000000000000000000000000000	25-01-152402
S1Cc2c(n(nc2C1)CC(=O)NCc1occc1)NC(=O)CC(c1ccccc1)c1ccccc1	PC-id_44053233	486.585	IGDUXUZIXUQKCT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-152403
C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C	BindingDB_PC-id_59333978,PC-id_59333978,BindingDB-id_546067,SCHEMBL3331545	486.586	DEKDCOLYKLALAN-CABCVRRESA-N	00000010100010100001100010000000000000000000000000000000	25-01-152404
c1(NC(=O)CSc2scc(c3ccc(c(c3)N(=O)=O)OCC)n2)sc2c(CCC2)c1C#N	EMOLS-id_324875605,MCULE-2909145924	486.587	QUOZHCFCCOFSOR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152405
s1c2CC(Cc2cc1C(=O)Nc1c(c(ccc1)C1=CC(=Nc2nn(c(c2)C)C)C(=O)N=N1)C)(C)C	PC-id_76817651	486.589	HWYOLHYXTISIIW-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-152406
CN(CC1CCCCC1(O)c1cccc(c1)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C	SCHEMBL6649014,PC-id_9805444	486.602	RRSATROXEHXOFS-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152407
COc1ccc(OC)c(c1)S(=O)(=O)Nc1sc2CCCc2c1C(=O)NCCc1ccccc1	ZINC22_28249706,PC-id_35539964,EMOLS-id_15299394,TIMTEC155726,CoCoCo_6458779,MCULE-8221356444	486.604	FTIJVXWVNHCPJQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152408
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(C)CCC1)C(c1ccccc1)COCc1ccccc1	SCHEMBL19542099	486.605	YGCXUUDEFGXRLU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152409
CC[C@@H]1N(Cc2ccn(c(=O)c2)C)Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL18367994	486.607	KXAQUCBUOMYCJA-SFHVURJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-152410
CCOC(=O)c1c(NC(=O)CSc2nnc(c3cccc(OC)c3)n2CC)sc2c1CCC2	MCULE-8469709912,PC-id_2407042,CoCoCo_3057352,ZINC22_3291414,EMOLS-id_3165084	486.607	HNPQSMFYLCKPFR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152411
COc1cc(ccc1NC(=O)NC(c1ccccc1)C)S(=O)(=O)Cc1sc2c(n1)CN(C2)C	SCHEMBL19377018	486.607	AVLWAZBGLSUWLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152412
COc1cc(ccc1NC(=O)N[C@H](c1ccccc1)C)S(=O)(=O)Cc1sc2c(n1)CN(C2)C	SCHEMBL19377017	486.607	AVLWAZBGLSUWLC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152413
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1oc(cc1C)C	PC-id_69790059,SCHEMBL6467472,BindingDB_PC-id_69790059	486.607	LIGWRYSPLWRZFI-SJORKVTESA-N	00000010101010000001000010000000000000000000000000000000	25-01-152414
O=C(N1C(CN(C(C1)C)CCCOC)C)N1C(c2[nH]nc(NC(=O)c3oc(cc3C)C)c2C1)(C)C	PC-id_77717551	486.607	LIGWRYSPLWRZFI-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-152415
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C)C(=O)OC	PC-id_21165192	486.607	QUKAIJCUPFRZEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152416
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(cc1)C)C(=O)OC	PC-id_21165399	486.607	LCUXYLUQWLKIDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152417
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccccc1)C(=O)OCC	PC-id_19733237	486.607	GDMDSXIYSUKHSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152418
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC)C(=O)OCC	PC-id_19730784	486.607	TYXLDESGPSBFPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152419
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC)C(=O)OC	PC-id_19732263	486.607	DHZOCSHWLSJBFV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152420
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)C)C(=O)OCC	PC-id_19732158	486.607	MDWCKAFGTKMLHS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152421
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC)C(=O)OCC	PC-id_17265662	486.607	BJNDAANDCWUUAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152422
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC)C(=O)OC	PC-id_19731925	486.607	KZFYAOSXVFDPRZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152423
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)C)C(=O)OCC	PC-id_19731808	486.607	RKXPDBVONJUNKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152424
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC)C(=O)OC	PC-id_20123837	486.607	NQZANTGBXHMMAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152425
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)C)C(=O)OCC	PC-id_17302846	486.607	NXSKZCDUKRBQCZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152426
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC)C(=O)OC	PC-id_17305677	486.607	QYKBLTZWQMGVSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152427
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)C)C(=O)OC	PC-id_19635768	486.607	UMYLRPOQCKSGDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152428
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)C)C(=O)OC	PC-id_19636119	486.607	VMHSUHNKMDYSPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152429
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)C)C(=O)OC	PC-id_19636477	486.607	SVSNDWCUGKAMLC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152430
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)C)C(=O)OC	PC-id_19643334	486.607	MTQPZWRFTIEAGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152431
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)C)C(=O)OC	PC-id_20128697	486.607	VILYVHOXCKWOIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152432
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC)C(=O)OC	PC-id_21164976	486.607	PPXCMCPQDGHLNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152433
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)C)C(=O)OC	PC-id_21165555	486.607	NSVSXLFLBXAALP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152434
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)C)C(=O)OC	PC-id_21165890	486.607	VHZNLVNQVMCFDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152435
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)C)C(=O)OC	PC-id_21166192	486.607	YMNAQPRYAGVUOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152436
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)C)C(=O)OCC	PC-id_17304378	486.607	PYUIANAYSGPDFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152437
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)C)C(=O)OCC	PC-id_19634789	486.607	ITZIAIJULWMMAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152438
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)C)C(=O)OCC	PC-id_21165117	486.607	FKAYRUQZQRXUKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152439
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)C)C(=O)OCC	PC-id_21165337	486.607	FQWLUECKZWAYPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152440
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)C)C(=O)OC	PC-id_19632088	486.607	BKSZERBZTIPSQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152441
CC(C)N1CCN(CC1)N(c1n[nH]c2c1CN(C2)C(=O)C(C)c1ccccc1)C(=O)c1ccccc1	PC-id_91541722	486.609	CFGULUVCYNOHEB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152442
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccccc1C	PC-id_24946260,SCHEMBL1987040	486.609	PQABYMVUXQCKCY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152443
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1cccc(c1)C	SCHEMBL3485039,PC-id_24946432	486.609	RWYOZSYBCWELMR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152444
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1c1ccccc1)C	PC-id_66941606,SCHEMBL1205798	486.609	JUMQQOJYYMYEIC-YDPRHXJPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152445
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)[C@@H]1C[C@H]1c1ccccc1)C	SCHEMBL1205799,PC-id_58015593	486.609	JUMQQOJYYMYEIC-QZNHQXDQSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152446
O=C([C@@H](c1ccccc1)C)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)C	PC-id_11454588,SCHEMBL2926784	486.609	RUTRMRZYVSSOPG-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152447
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)C(C(C)C)c1ccccc1	PC-id_71654821	486.609	RQLQIBOSVGVWBW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152448
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nccc(n1)OCC	SCHEMBL3330296,PC-id_59333956	486.61	LROJDATVWNTLOA-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-152449
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)COc1ccc(C(C)C)cc1)C(=O)N	PC-id_24500178	486.61	BSQYHEYKRFQUFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152450
c1(NC(=O)c2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4238284559,EMOLS-id_334334638	486.624	GJXRSLWNDLWURU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152451
c1(NC(=O)COc2ccc(cc2C(C)(C)C)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332585,MCULE-6992250028	486.624	NKCZGLHZNCQEBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152452
C(=Cc1ccc(OCCCCC)c(OC)c1)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3983564499	486.625	DXXAOOOYSUNYTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152453
CCCCCOc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C#N)c2ccccc2)cc1OC	EMOLS-id_327814523	486.625	DXXAOOOYSUNYTJ-HAVVHWLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152454
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331924254,MCULE-5673155526	486.627	UHXAVOPLSFQPBL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152455
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331925277,MCULE-4446511325	486.627	QARGLYSEHTZTKQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152456
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCO)sc2CCCc2c1C#N	EMOLS-id_331928094,MCULE-3442984578	486.627	MJZKAHZQSXGTOI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152457
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCCO)sc2CCCc2c1C#N	EMOLS-id_331931155,MCULE-6984720486	486.627	JLEYJERBCCKVSY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152458
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCCCO)sc2CCCc2c1C#N	MCULE-8214999885,EMOLS-id_331929879	486.627	SSHBGINLTFNTJV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152459
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCCO)sc2CCCc2c1C#N	MCULE-9218343850,EMOLS-id_331928083	486.627	XCXKWDCQGCQOAU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152460
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCOC)sc2CCCc2c1C#N	EMOLS-id_331922455,MCULE-2662386156	486.627	MQVCRFGQQRBVMT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152461
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCOC)sc2CCCc2c1C#N	MCULE-1776769167,EMOLS-id_331920669	486.627	TVHLQNTVMPUHSR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152462
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCOC)sc2CCCc2c1C#N	MCULE-7029906293,EMOLS-id_331919383	486.627	AELIQVPSZFRVRU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152463
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331920923,MCULE-1062378372	486.627	WDSARVLVFBVWHE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152464
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCC)sc2CCCc2c1C#N	EMOLS-id_331919379,MCULE-5819993133	486.627	UWYFWKCHZXDXRZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152465
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCOCCCC)sc2CCCc2c1C#N	MCULE-7285442422,EMOLS-id_331922461	486.627	RSWUXLXHNQJGSD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152466
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331925522,MCULE-8159159072	486.627	LDTMSHUTBSVMMA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152467
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCCC)sc2CCCc2c1C#N	MCULE-9596187560,EMOLS-id_331930385	486.627	MUKWNAJGLMFUOA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152468
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331933201,MCULE-7429083771	486.627	WPANEEPZWPNKNT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152469
s1c2CCC(C(=O)N3CCN(CC3)C/C=C/c3ccccc3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947639	486.628	FBBGNEPAPPTXCT-VMPITWQZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152470
s1c2CCC(C(=O)N3CCN(CC3)CC=Cc3ccccc3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_73340150	486.628	FBBGNEPAPPTXCT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152471
s1c2CCCc2c(c1NC(=O)CCN(CCC(C)C)c1c(n(CCCC)c(=O)[nH]c1=O)N)C#N	PC-id_56099052	486.63	JCGJXWWFRMQRNE-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-152472
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_321720112,MCULE-7867889453	486.65	SNOCSYRKJDXHFG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152473
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)CC1CCC(CC1)(C)C#N	PC-id_134170742	486.65	JJBTXPKRWLFJQB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152474
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CC(C1)C#N	PC-id_134170931	486.65	PUVJIIACPPZVNI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152475
N#C[C@]1(C)CC[C@@H](CC1)CN1Cc2c(C1)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19771909	486.65	JJBTXPKRWLFJQB-OWWJJEGGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152476
N#C[C@]1(C)CC[C@H](CC1)CN1Cc2c(C1)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19772160	486.65	JJBTXPKRWLFJQB-XZMJRDFISA-N	00000010100010110001000010000000000000000000000000000000	25-01-152477
N#C[C@@H]1C[C@H](C1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19772104	486.65	PUVJIIACPPZVNI-NCHKGXLSSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152478
N#C[C@@H]1C[C@H](C1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367892	486.65	PUVJIIACPPZVNI-BSRJHKFKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152479
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)c1c(cc(cc1C)C)C	PC-id_24588839	486.65	ONYOIZVEXDRKIM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152480
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C#N)c1c(c(cc(c1C)C)C)C	PC-id_16554897	486.65	CCFXIKXCKMKPAT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152481
S(=O)(=O)(NCC1CN(CCC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(cc1)C	PC-id_56381663	486.65	RLIQFYZRCPRNFQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152482
CCOC(n1nc2c(c1NC(C1(CCC1)S(C)(C)C)O)CN(C2(C)C)C(=O)OC(C)(C)C)O	SCHEMBL19312220	486.668	GZNIGGLTMHMCTQ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-152483
CCCOC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19542093	486.67	DHPNPHALAGPEFK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152484
CCCO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19537514	486.67	DHPNPHALAGPEFK-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152485
CC(OC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1)C	SCHEMBL19542291	486.67	BFXRJOVLZVRHFE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152486
CC(O[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1)C	SCHEMBL19537118	486.67	BFXRJOVLZVRHFE-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152487
COCCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19537469	486.67	XXJAHWFWVSZNGV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152488
s1c2CCCc2c(c1NC(=O)CSc1sc(SCc2ccc(C(C)C)cc2)nn1)C#N	PC-id_24521532	486.696	UDSZWENJTPTNBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152489
n1(c(c2C(CC(c2c1C)(C)C#N)(C)C)C)CCCCCCn1c(c2C(CC(c2c1C)(C)C#N)(C)C)C	SCHEMBL11343937,PC-id_12894293	486.734	CYQBPBCXQBQQRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-152490
CN1c2cc(nn2[I]=C1I)I	PC-id_164022139	486.754	VFXJRGVFIQJAOJ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-152491
c1(Br)c(OCCCC(=O)Nc2sc3CCCc3c2C(=O)OCC)ccc(Cl)c1	EMOLS-id_327867101,MCULE-3240730619	486.807	PIPDHFHXPHKONZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152492
c1(Cl)c(OCCCC(=O)Nc2sc3CCCc3c2C(=O)OCC)ccc(Br)c1	EMOLS-id_327825106,MCULE-7941572592	486.807	VMVFPOLWKVZUCL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152493
c1(NC(=O)COc2cc(C)c(c(C)c2Br)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_1701638,MCULE-4351979852	486.807	PPJAOUPZOGLCJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152494
Cc1c(C(=O)C(=O)NC2(COC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134285151,SCHEMBL19900854,BindingDB-id_799394	486.883	CFYUTDNAWDWFBA-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152495
c1(NC(=O)COc2cccnc2NC(=O)Oc2c(Cl)ccc(F)c2)sc2c(CCC2)c1C#N	MCULE-8129822987,EMOLS-id_321770238	486.903	DFHVAHOVKHIIMU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152496
Cc1c(n2CCCc2c1C(=O)C(=O)NC12CCC1C(C2)C(=O)N)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920797,PC-id_134303073	486.923	NKZFWEAHFFGKOQ-UHFFFAOYSA-N	00001010100010110000001010000000000000000000000000000000	25-01-152497
Cc1cc(c(cc1Cl)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC1)C1=CNNN1)C)F	PC-id_134599094,SCHEMBL20252997	486.926	YGIRYFIRWXMYMA-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-152498
Clc1c(S(=O)(=O)N)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_2615063	486.946	FDVSDCNEXGNIFP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152499
CNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1Cl	ZINC22_9126346,CoCoCo_3062232,PC-id_16253558,EMOLS-id_3501540,MCULE-7300886423	486.946	SCZDIJBKSQKERT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152500
Clc1ccc(C2=CCN(C(=O)N3CCN(C[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)CC2)cc1	PC-id_69479749,SCHEMBL5537139	486.951	ONWSBYAMPIEZBF-QHCPKHFHSA-N	00000010100011110001100010000000000000000000000000000000	25-01-152501
Clc1ccc(C2=CCN(C(=O)N3CCN(CC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)CC2)cc1	SCHEMBL5537142,PC-id_69479751	486.951	ONWSBYAMPIEZBF-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-152502
Clc1c(COC(=O)c2ccc(c3oc(C=Nc4sc5CCCc5c4C#N)cc3)cc2)cccc1	PC-id_50886468	486.969	ORZDMLUPZVOCKY-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152503
c1(NC(=O)c2[nH]nc(c3cc(Cl)ccc3O)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_135785296,MCULE-9264252356	486.971	RVYNSIAVTYFSKL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152504
c1(NC(=O)COc2ccc(cc2)Cl)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	MCULE-4368862528,ZINC22_23139545,CoCoCo_5277778,PC-id_30862774,EMOLS-id_24913561	486.971	RSJXEWNNNRTECG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152505
ClC1=C/C(=C/NNC(=C2)C(=O)Nc2sc3c(CCC3)c2C(=O)NCC2OCCC2)/C(=O)C=C1	PC-id_19131009	486.971	SKYWPXSFTJUCRF-NXVVXOECSA-N	00000011100011000001100010000000000000000000000000000000	25-01-152506
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)c(OC)cc1	PC-id_44053553	486.971	BZMAIXRBOVOUTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152507
Clc1c(Cn2nc(c(c2C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_35968572	486.971	WOJFBIKLYSSFEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152508
Clc1n(nc(c1C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C)Cc1ccc(cc1)C	PC-id_41225692	486.971	XUFXGLMWMBIGHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152509
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408613338	486.989	WJPNNQPTJXXLQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152510
Cc1ccc(cc1)S(=O)(=O)c1c2n(c(c1)C(=O)c1ccc(cc1)Cl)c(=O)c(=CN(C)C)s2	MCULE-8326875599,EMOLS-id_26207815,PC-id_86809276	486.991	NNHIRVSHTCWZNS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152511
Cc1ccc(S(=O)(=O)c2cc(C(=O)c3ccc(Cl)cc3)n3c(=O)/c(=C/N(C)C)/sc23)cc1	ZINC22_9705122	486.991	NNHIRVSHTCWZNS-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152512
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)C)n2)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-4709420449,CoCoCo_2209695,TIMTEC326592,ZINC22_16751828,EMOLS-id_2636634,ChEMBL-DNDi_CHEMBLD053-0271,PC-id_16436764	486.993	NBWHNAXDKBHRPR-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-152513
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334338475,MCULE-3098944303	487.011	OSZOWSJZDSPTNZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-152514
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCN2C(=C1Cl)C(=O)NC3=CC(=C(C(=C3)F)F)F	PC-id_155278785	487.019	JIPWOTXGRWKUAG-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-152515
c1(NC(=O)c2c(Cl)cnc(SCC)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	CoCoCo_2210025,ZINC22_16750692,TIMTEC392580,PC-id_16436151,EMOLS-id_9844831,MCULE-9982111961	487.037	PXQDKAFPCHTVBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152516
Clc1ccc(n2c(nnc2SCC(=O)Nc2sc3CCCc3c2C#N)C(N(C)C)C)cc1	PC-id_24521462	487.041	YLKBXKJXDKZXQO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152517
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=C(C(=CC=C3)F)F)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164871978	487.094	HEIYGWWNTFHPKU-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152518
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=C(C(=CC=C3)F)F)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931989	487.094	HEIYGWWNTFHPKU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152519
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872136	487.094	DRMKYBUIYHFUKX-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152520
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872147	487.094	DRMKYBUIYHFUKX-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152521
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=NN(C=C4)CC(F)(F)F	PC-id_164872286	487.094	XFIKXJDXXVVGJR-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152522
C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC3=CC=C(C=C3)CNC(=O)[O-])(C(=O)NO)S(=O)(=O)C	PC-id_151944792	487.129	TVKSGENGHYGPTO-JOCHJYFZSA-M	00000010100000110001000010000000000000000000000000000000	25-01-152523
C1COCCN1CC2=CC=C(C=C2)OCC3=C4C(=CS3)C(=O)N(C4=O)[C@@H](CCC(=O)O)C(=O)N	PC-id_149672379	487.141	ANLHXRVJBVFAIW-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152524
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CN([NH2+]N1)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_163704949	487.166	KEGOZWPGYZLKKR-UHFFFAOYSA-O	00100011100000110001100010000000000000000000000000000000	25-01-152525
n12nc(nc1sc(=Cc1cc(Br)cc(Br)c1OC(=O)C)c2=O)CCC	MCULE-1269519710	487.166	SDHHIKXSXYHPJV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152526
COC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2OCC3=CC=C(C=C3)CN4CCOCC4	PC-id_151896613	487.178	SRWBSSXGIMRGDS-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-152527
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O	PC-id_161434846	487.182	VYMVWWSEASBRPP-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152528
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CN=C(C=C3)C(=O)OC)CC4=CC(=CC=C4)C(F)(F)F	PC-id_160042771	487.183	NDKJRCCGYXLZLZ-AWEZNQCLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-152529
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CN=C(C=C3)C(=O)O)[C@H](C)C4=CC(=CC=C4)C(F)(F)F	PC-id_161482373	487.183	RJWFUJJVJZJIRL-DZGCQCFKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-152530
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=NC=C(C=C3)C(=O)OC)CC4=CC(=CC=C4)C(F)(F)F	PC-id_160480407	487.183	YZBOPWFRQXJJPF-AWEZNQCLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-152531
C1COCCN1CC2=CC=C(C=C2)C#CC3=CN4C(=C3)CN(C4=O)C(CC5=NC=NC(=O)C5=O)CO	PC-id_165414812	487.186	BHAMCSJENZAOBL-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-152532
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3cccc(Cl)c3Cl)/c(=O)n2n1	EMOLS-id_324913676	487.187	LDDCTQDZLHBPDO-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-152533
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n2n1	EMOLS-id_324912651	487.187	SPDJLTFWWXMRGF-SOFYXZRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152534
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(Cl)c(Cl)c3)/c(=O)n2n1	EMOLS-id_324914699	487.187	QATJSIOJANLKLH-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152535
n12c(=O)c(=Cc3ccc(cc3Cl)Cl)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-7817384660	487.187	SPDJLTFWWXMRGF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152536
n12c(=O)c(=Cc3ccc(c(Cl)c3)Cl)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5858620386	487.187	QATJSIOJANLKLH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152537
n12c(=O)c(=Cc3cccc(Cl)c3Cl)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-8380491229	487.187	LDDCTQDZLHBPDO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152538
Cc1c(n2CCCc2c1C(=O)Nc1cc(c(cc1)F)F)C(=O)C(=O)NC1(CCC(CC1)C(=O)O)C	PC-id_163804469	487.192	NHUUIQQPIDAGHK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152539
Cc1c(n2CCCc2c1C(=O)Nc1cc(c(cc1)F)F)C(=O)C(=O)NCC1CCC(CC1)C(=O)O	PC-id_163686924	487.192	JPQOUEKVTRQAHK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152540
CN(C)CC1COC2=C(C=NN12)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N	PC-id_165369862	487.204	TXZGGHVFAPAKAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152541
Brc1ccc(o1)C(=O)Nc1ncccc1OCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_321803389,MCULE-2128105212	487.326	LKWLTFJIKPLDPV-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-152542
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(Br)cc1	ZINC22_256055298,PC-id_117588523	487.326	BAFCVMSZWCCIJF-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152543
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(Br)c1	PC-id_117588529,ZINC22_256055619	487.326	NLZIRINAKDHPBL-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152544
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)OC)c2=O	MCULE-4085619128	487.326	QATVKHCBABPCMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152545
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1cccc(Br)c1)c2=O	MCULE-1905683361	487.326	NLZIRINAKDHPBL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152546
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccc(cc1)Br)c2=O	MCULE-7222920738	487.326	BAFCVMSZWCCIJF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152547
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_256055698,PC-id_117588395	487.327	QATVKHCBABPCMC-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152548
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(Cl)cc(Cl)c1	SCHEMBL19900920,BindingDB-id_799407,PC-id_134285209	487.339	SCPXCDRTCXNZCL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152549
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(ccc4)C(=O)N)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1982220,PC-id_24948639	487.339	VEMORIADXRUSMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152550
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(cc4)C(=O)N)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1984499,PC-id_24948454	487.339	BDXPQMGMMQHIDI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152551
c1(NC(=O)COc2cccnc2NC(=O)c2cc(cc(Cl)c2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_321808753,MCULE-4981017745	487.358	YNFSVJKFEPTSGA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152552
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCC2)c1C#N	MCULE-3155695394,EMOLS-id_321805179	487.358	UEBDPALBSZSVCK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152553
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@](C)(C(=O)O)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19900837,PC-id_134285135	487.377	ZOTYFJFIJDLGCR-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152554
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)(C(=O)O)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19900840,PC-id_134285138	487.377	ZOTYFJFIJDLGCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152555
COC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616719	487.388	ASEUKKBSIHMENP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152556
COC(=O)c1c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408615864	487.388	UABAXVUYOPINSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152557
COC(=O)c1c(NC(=O)CN(c2ccccc2Br)S(=O)(=O)C)sc2c1CCC2	ZINC22_408617120	487.388	HSDLZZCTPIYQHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152558
c1(NC(=S)NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_19188485,MCULE-9833580014	487.42	GAOPGZKXPRDVSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152559
Clc1c(OC(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)C)ccc(Cl)c1	PC-id_4223034	487.42	JZOUYDXGJOOZFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152560
Cc1nnc(o1)C1(CC1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2CCCc12	PC-id_134285268,BindingDB-id_799371,SCHEMBL19900991	487.431	NYRULGHTEHZRQN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152561
Cc1nn2C(=O)C(Sc2n1)[C@@H](c1cc(c(cc1)Cl)Cl)N1CCC(CC1)Cc1ccccc1	PC-id_134715972	487.445	GUOKBEUJNKWZKZ-ZMFCMNQTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152562
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(c(F)c2F)F)sc2c(CCC2)c1C#N	MCULE-8598616561,EMOLS-id_321901311	487.454	CNSLKIJDYBTRMH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152563
CC1(c2c(CN1C(=O)O)c(nn2C(=O)O)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)[N+](=O)[O-])C	PC-id_91064541	487.466	GDRWAJFAYXTEKX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152564
CC1(c2nn(c(c2CN1C(=O)O)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)[N+](=O)[O-])C(=O)O)C	PC-id_90784095	487.466	RVCLIRQNAJOLMK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152565
CC1(c2nn(c(c2CN1C(=O)O)NC(=O)c1cc(c(cc1)N1CCN(CC1)C)[N+](=O)[O-])C(=O)O)C	PC-id_91506997	487.466	TWNSPQPTRXHGFP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152566
FC(F)(F)c1nn(c2CC(=Cc12)C(=O)Nc1ccc(CC(=O)Nc2noc(C(C)(C)C)c2)cc1)C	PC-id_60019661	487.474	BEEOBJVPWZPGSK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152567
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(c(cc1)F)F	SCHEMBL14054879,PC-id_89236464	487.476	XDUCBXKLMFZGKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152568
Fc1c(NC(=O)C2N(Cc3n(ncc23)C)C(=O)Nc2ccc(cc2)C)ccc(n2c(=O)cncc2)c1	PC-id_78003839	487.486	MYYDAQWADXUVDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152569
Fc1c(NC(=O)[C@@H]2N(Cc3n(ncc23)C)C(=O)Nc2ccc(cc2)C)ccc(n2c(=O)cncc2)c1	PC-id_71081012,SCHEMBL14138393	487.486	MYYDAQWADXUVDV-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152570
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)sc2c1CCC2	PC-id_2499313,EMOLS-id_43709809,ZINC22_3381048,MCULE-4060489904,CoCoCo_2879150	487.494	BHEMGVMJPHSOAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152571
CC(CNS(=O)O)c1nn2c(n1)C(=NNc1nc(c(n1CC(=O)O)C#N)C#N)C(=N2)C(C)(C)C	PC-id_89330931	487.496	QPERTHWKYXKCIQ-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-152572
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2C[C@H](N(CC2)C(=O)O)C(C)(C)C)cc1)C	PC-id_69635356	487.506	JYFCVRTZZIQQHH-NVHKAFQKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152573
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc1)C	PC-id_69635347,SCHEMBL6010803	487.506	OQPJFGMURJCPCQ-HSZRJFAPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152574
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CC(N(CC2)C(=O)O)C(C)(C)C)cc1)C	PC-id_69635431	487.506	JYFCVRTZZIQQHH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152575
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc1)C	PC-id_77712971	487.506	OQPJFGMURJCPCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152576
C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccn(C4CCC4)n3)cc2F)c2ncnn12	ZINC22_1875324473	487.507	ABHYHJFLPUFAKS-KPZWWZAWSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152577
C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccn(C4CCC4)n3)cc2F)c2ncnn12	ZINC22_1875324474	487.507	ABHYHJFLPUFAKS-KZULUSFZSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152578
C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccn(C4CCC4)n3)cc2F)c2ncnn12	ZINC22_1875324475	487.507	ABHYHJFLPUFAKS-SGTLLEGYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152579
C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccn(C4CCC4)n3)cc2F)c2ncnn12	ZINC22_1875324476	487.507	ABHYHJFLPUFAKS-XIKOKIGWSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152580
O=C(c1ccc(cc1F)S(=O)(=O)NC(=O)c1ccn(n1)C1CCC1)NC1CC(n2c1ncn2)C	PC-id_146147347	487.507	ABHYHJFLPUFAKS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152581
COc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N)cc1	ZINC22_256055780,PC-id_117588553	487.509	STZKKTDJFLBDRQ-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152582
n12ncnc1sc(=Cc1ccc(c(OC)c1)OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O	MCULE-9384031742	487.509	STZKKTDJFLBDRQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152583
C[C@@](CCN1Cc2cc(C#Cc3ccc(C4(O)COC4)cc3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL17080515,CHEMBL4580126,PC-id_118368780	487.525	MKYXCVVPYAGPGV-JOCHJYFZSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152584
ONC(=O)[C@@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(O)COC1)C	PC-id_118368852,SCHEMBL17080589	487.525	MKYXCVVPYAGPGV-QFIPXVFZSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152585
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(O)COC1)C	SCHEMBL17080519,PC-id_118368785	487.525	MKYXCVVPYAGPGV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152586
C/C=CC(=C(C(OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)CN(C)C)/C)F	PC-id_143492471	487.542	CFAJCBOYPQEDTL-QKKGVTOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152587
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-9739013657	487.545	CCUFURUODFMBDP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152588
N#Cc1cc(F)ccc1N1CCC(CC1)CNC(=O)C(C(C(=O)N1Cc2c(C1)nc(s2)C)O)O	SCHEMBL8274446,PC-id_70329627	487.547	CNACGHWWYNAJLF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152589
N#Cc1cc(F)ccc1N1CCC(CC1)CNC(=O)[C@@H]([C@H](C(=O)N1Cc2c(C1)nc(s2)C)O)O	SCHEMBL8222795,PC-id_57984849	487.547	CNACGHWWYNAJLF-NHCUHLMSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152590
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(F)cc3)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053096	487.547	UQTJXJYFERGMIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152591
CN(C(=O)OC(C)(C)C)C1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_67274258,SCHEMBL2089043	487.549	JPTVXXOIPPIQOQ-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-152592
CN(C(=O)OC(C)(C)C)C1CCN(CC1)c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL2089046,PC-id_67274259	487.549	JPTVXXOIPPIQOQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152593
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(nc(nc1SC)c1occc1)C)C(=O)OC	PC-id_30656872	487.549	FDTGXDWBMNBTHQ-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-152594
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1sc(NC(=O)c2occc2)cc1C)C)C(=O)N	PC-id_43037417	487.549	RQEMAZZLNRQLJW-UHFFFAOYSA-N	00000010101100000000000010000000000000000000000000000000	25-01-152595
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)C=Cc1ccccc1)C(=O)OCC	PC-id_3480579	487.549	BUROSXBWPKCRMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152596
s1c2CCC(c2nc1NC(=O)CCc1nc(sc1)NC(=O)C1C=CC=NC1=O)C(=O)OCC	PC-id_75120113	487.552	WVKBQFKORYZIEQ-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-152597
s1c2CCC(c2nc1NC(=O)CCc1nc(sc1)NC(=O)C1C=CC(=O)N=C1)C(=O)OCC	PC-id_75120142	487.552	MJMKRGNQWSSACT-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-152598
s1c2CCC(c2nc1NC(=O)CCc1nc(sc1)NC(=O)c1c[nH]c(=O)cc1)C(=O)OCC	PC-id_45538252	487.552	BKGTWAJGEUJXAM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-152599
s1c2CCC(c2nc1NC(=O)CCc1nc(sc1)NC(=O)c1c(=O)[nH]ccc1)C(=O)OCC	PC-id_45538223	487.552	MMRJBMAWXJVJER-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-152600
CC(c1ccccc1)NC(=O)Nc1n[nH]c2c1CNC2NC(=O)Cc1ccc(cc1)N1CCCC1=O	PC-id_91078478	487.554	ZRTRBHHUMRFRQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152601
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145111622	487.554	JJGFUNGYIGOUPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152602
O=C1N(CCC1)c1ccc(CC(=O)Nc2n[nH]c3c2CN(NC(=O)NC(c2ccccc2)C)C3)cc1	SCHEMBL2918137,PC-id_68440529	487.554	QPYPGVIXHNBDGW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152603
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCO)sc2CCCc2c1C#N	EMOLS-id_331791804,MCULE-1516093824	487.555	SHZCAHMPEZMJHE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-152604
s1c2CCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1c(F)cccc1)Cc1ccccc1	PC-id_24644295	487.567	FXVJQZKFCCEGMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152605
CCOC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C1COC1)C	PC-id_118368846,SCHEMBL17080582	487.569	CVEYFCGTSYNCRX-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-152606
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C(CO)(C)C)C	SCHEMBL18730113,PC-id_118368788	487.569	IHSKQDGPCJYHOG-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-152607
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C(CO)(C)C)C	SCHEMBL18730114	487.569	IHSKQDGPCJYHOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152608
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(CNC(=O)NC(C)C)cc1)C(=O)OCC	PC-id_28132728	487.569	QQVXWGRBQUVHOJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152609
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(OCC)cc1)C(C)C)C(=O)N	PC-id_55926350	487.569	AGZJDXDTDCCTLN-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152610
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccc(OCC)cc1)C(C)C)C(=O)N	PC-id_55305850	487.569	AGZJDXDTDCCTLN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152611
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CNC(=O)c1ccc(OCCCC)cc1)C)C(=O)N	PC-id_24496179	487.569	OODRIUZGOQALQI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152612
s1c2c(nc1NC(=O)c1cc(OC)cc(OC)c1)C(CC2)C(=O)N1CC(CCC1)C(=O)OCC	PC-id_16947976	487.569	YOZSHSBAQARYKG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152613
s1c2c(nc1NC(=O)c1cc(OC)cc(OC)c1)C(CC2)C(=O)N1CCC(CC1)C(=O)OCC	PC-id_16947977	487.569	IKALXAUIWKUXMS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152614
c1(NC(=O)c2cc(on2)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	CoCoCo_2255508,ZINC22_11915629,EMOLS-id_9870331,MCULE-1327815121,PC-id_16455034,TIMTEC560010	487.57	XWNWZVGRWNOBKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152615
c1(NC(=O)COc2cccc(c2)NC(=O)CCC(=O)c2ccc(C)cc2)sc2c(CCC2)c1C#N	MCULE-7293595082,EMOLS-id_323192721	487.57	FAYRRNYVZUFUBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152616
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2CCN(CC2)C2CCOCC2)C3(C)C)n1	PC-id_59333917,SCHEMBL3328016,BindingDB-id_546120,BindingDB_PC-id_59333917	487.57	PLNNDRULHJUPFM-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-152617
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cn1)F	PC-id_59508226,SCHEMBL602358	487.57	XWRYHYUQSWJLAJ-CVEARBPZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152618
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(F)cccc1)CC=C)C(=O)N	PC-id_46618198	487.57	JIDVUJWMIWQWDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152619
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331929372,MCULE-5890498149	487.572	CJGGNKWYRBIFHW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152620
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(NS(=O)(=O)c2sccc2)cccc1)C#N	PC-id_16539362	487.572	KPIBYXOPKRZKJK-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-152621
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4CCCc4n3Cc3ccccc3)cc2)n1	MCULE-7007165286,EMOLS-id_328217720	487.573	BEMNIPTUYLMHOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152622
C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(ncc3F)N3CCOCC3)n[nH]c2C1(C)C	SCHEMBL3325679,PC-id_59333910,BindingDB-id_546051,BindingDB_PC-id_59333910	487.574	BVYIXERQKOAHNV-CABCVRRESA-N	00000010100010100001100010000000000000000000000000000000	25-01-152623
CCOC(=O)c1c(NC(=O)CSc2ccc(COc3ccc(OC)cc3)o2)sc2c1CCC2	ZINC22_28526893,CoCoCo_6600397,PC-id_35754434	487.588	GXJIXVHIMAKLNM-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-152624
c1(NC(=O)CSc2nnc(COc3ccc(cc3)CC)o2)sc2c(CCC2)c1C(=O)OCC	PC-id_1741757,MCULE-6086751153,EMOLS-id_8210589,SPECS-id_AF-399/42878174,CoCoCo_5840778,ZINC22_2082589	487.592	CDXLJCZPVNAFHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152625
CCOC(=O)c1c(NC(=O)CSc2nnc(COc3cc(C)ccc3C)o2)sc2c1CCC2	EMOLS-id_11675742,PC-id_16273690,MCULE-8616754082,ZINC22_8825750,CoCoCo_3137815	487.592	XCHBZNVAVIVFOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152626
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)sc2c1CCC2	MCULE-4380027377,ZINC22_9594630,PC-id_16287739,CoCoCo_2818219,EMOLS-id_43689170	487.592	HSYRZAHHMCXTOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152627
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(SCC(=O)NC2CC2)cccc1)C)C(=O)N	PC-id_24630435	487.592	CLCDCWDRQOSNPS-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-152628
S(=O)(=O)(N1CCCCC1)c1c(ccc(c1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C	PC-id_16528581	487.592	HWVGHFWCTGXIEQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152629
S(=O)(=O)(N1C(CCCC1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)c1ccc(cc1)C	PC-id_24341403	487.592	LPIDCQAVMPHNLC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152630
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1c1ccccc1)C	PC-id_66941801,SCHEMBL1206386	487.593	AUSLGPBUCLJMDF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152631
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1c1ccccc1)C	PC-id_66941798,SCHEMBL1206382	487.593	AUSLGPBUCLJMDF-YDPRHXJPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152632
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)[C@@H]1C[C@H]1c1ccccc1)C	SCHEMBL1206384,PC-id_51356444	487.593	AUSLGPBUCLJMDF-QZNHQXDQSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152633
COc1cccc(c1)C[C@@H](N(C(=O)c1cccnc1)C)C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2	CoCoCo_1186033,PC-id_42170088,CoCoCo_1186031	487.593	VWMSQEASTUHZBT-RUZDIDTESA-N	00000010100010111001000010000000000000000000000000000000	25-01-152634
COc1cccc(c1)C[C@H](N(C(=O)c1cccnc1)C)C1CCN(CC1)C(=O)c1[nH]nc2c1CCC2	PC-id_42170087,CoCoCo_1186034,CoCoCo_1186032	487.593	VWMSQEASTUHZBT-VWLOTQADSA-N	00000010100010111001000010000000000000000000000000000000	25-01-152635
O=C(N1CCC(C(N(C)C(=O)c2cccnc2)Cc2cc(OC)ccc2)CC1)c1n[nH]c2c1CCC2	PC-id_45179598	487.593	VWMSQEASTUHZBT-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-152636
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	PC-id_41139215,CoCoCo_4226621,ZINC22_35354776	487.595	FFPMKYLLOBXOHI-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152637
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC22_35354780,CoCoCo_4226620,PC-id_41139217	487.595	FFPMKYLLOBXOHI-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152638
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	CoCoCo_4234145,ZINC22_35361542,PC-id_41134589	487.595	JFURFUHXXLAOJQ-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152639
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	PC-id_41134592,CoCoCo_4234146,ZINC22_35361543	487.595	JFURFUHXXLAOJQ-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152640
CCN([C@@H](CN(C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1onc(c1)C)C)C)CC1CCOCC1	SCHEMBL14038411,PC-id_71053188	487.595	KURDDVZERLMBKJ-TZHYSIJRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152641
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-2091565926,EMOLS-id_321768762	487.595	KNDLGMHDEKENAP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152642
COc1ccc(cc1)OCc1nnc(n1C)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-4579922980,SCHEMBL21045392,EMOLS-id_11820034,PC-id_16370032	487.595	CFEHORIHCDMXSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152643
COc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)n2C)cc1	PC-id_41105515,ZINC22_9516799,CoCoCo_4176398	487.595	CFEHORIHCDMXSD-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152644
COc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C(=O)N)CCC4)n2C)cc1	PC-id_41105516,ZINC22_9516800,CoCoCo_4176397	487.595	CFEHORIHCDMXSD-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152645
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1oc(nc1C)C	PC-id_59508157,SCHEMBL596894	487.595	IFJQHIVRQCBQER-CABCVRRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-152646
N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_11818012,PC-id_16368491,MCULE-5401915398	487.595	FFPMKYLLOBXOHI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152647
N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	EMOLS-id_11820794,PC-id_16370568,MCULE-4665499391	487.595	JFURFUHXXLAOJQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152648
O1CCC(CN(C(CN(C(=O)N2C(c3[nH]nc(NC(=O)c4onc(c4)C)c3C2)C)C)C)CC)CC1	PC-id_77996739	487.595	KURDDVZERLMBKJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152649
O=C(N1C(CN(C(C1)C)CCCOC)C)N1C(c2[nH]nc(NC(=O)c3oc(nc3C)C)c2C1)(C)C	PC-id_72310298	487.595	IFJQHIVRQCBQER-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152650
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCOC)c(nn1)c1ccncc1)C(=O)OCC	PC-id_3170559	487.595	BACLBRWBGNPMRI-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-152651
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(N2CCCC2)nn1)Cc1occc1)C(=O)OC	PC-id_16586812	487.595	WXPAFVFEZHJJQG-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-152652
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)Nc1ccc(cc1)NC(=O)C=C)C	PC-id_137497890,SCHEMBL20741148	487.597	VNLKFJQXFQZSAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152653
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)Nc1cc(ccc1)NC(=O)C=C)C	PC-id_137497895,SCHEMBL20741158	487.597	VZZSENOIDJBWDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152654
CCc1cccc(c1NC(=O)N1Cc2c(C1)c(n[nH]2)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C	SCHEMBL13446065,PC-id_59222397	487.597	LPMTVRNWDGTITP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152655
C=CC(=O)Nc1ccc(cc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121443330,SCHEMBL17877966	487.597	VNLKFJQXFQZSAD-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152656
C=CC(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL18313171	487.597	VZZSENOIDJBWDM-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152657
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1C	PC-id_24947699,SCHEMBL1984528	487.597	IRJBNTBFJVIWNQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152658
O=C(Nc1n[nH]c2c1CN(NC(=O)NC(c1ccccc1)C)C2)C(c1ccc(N2CCCC2)cc1)C	PC-id_68443255,SCHEMBL2925454	487.597	JNUMEAUFURCCGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152659
Cn1ccc(c2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)n2C[C@H]2CCCO2)n1	PC-id_40436095,ZINC22_2752166	487.598	VOXUPHMNAIRHQH-GFCCVEGCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-152660
Cn1ccc(c2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)n2C[C@@H]2CCCO2)n1	ZINC22_2752167,PC-id_40436096	487.598	VOXUPHMNAIRHQH-LBPRGKRZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-152661
Cn1ccc(n1)c1nnc(SCC(=O)Nc2sc3CCCc3c2C(=O)N)n1CC1CCCO1	EMOLS-id_4165025,MCULE-8106972551,PC-id_4767106,TIMTEC506676	487.598	VOXUPHMNAIRHQH-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-152662
CC1(C(=NOC(=O)CNSSN(C)C(=O)ON[N+]2=CC=NC2(C)C)n2ccnc2S1)C	PC-id_88704379	487.6	DILGOILSVXBXFM-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-152663
CN(C(=O)ON=[N+]1C=CNC1(C)C)SSNCC(=O)ON=C1n2ccnc2SC1(C)C	SCHEMBL10998633	487.6	LWKGAFAHESRBKE-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-152664
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1)C(C)(C)CC)C(=O)OC	PC-id_19237074,MCULE-2909425678	487.608	FDUZMNWODKHYKW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152665
CC(C)C1c2c(CN1Cc1cc(ccc1)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170879,SCHEMBL19772050	487.61	VLVIRCPAURJGRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152666
CC[C@H]1N(Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC)Cc1ccccc1F	SCHEMBL18368111	487.61	AUOCKMPWZIHMLY-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152667
CC([C@@H]1N(Cc2ccc(cc2)F)Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL18368029	487.61	NCWBOLAHKDAGMX-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152668
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)F)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368067	487.61	BKSVBNICNVRYGB-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152669
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cccc(c1)F)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368103	487.61	VLVIRCPAURJGRJ-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152670
CCOC(=O)CN1CCN(CC1)Cc1sc2c(c1)CN(C2)C(=O)c1cc(C(C)C)c(cc1O)O	PC-id_141750771	487.612	KCOARDMSRJWKFG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152671
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CCOc1ccc(OC)cc1)C(=O)OCC	PC-id_24446404	487.612	VLENYZDKWVWDIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152672
c1(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1725373981,EMOLS-id_334330279	487.613	NUPPVCUCWFZUKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152673
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331928345,MCULE-1679787284	487.615	CVHYWYCNWZOFPQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152674
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCN(C)C)sc2CCCc2c1C#N	MCULE-4062603336,EMOLS-id_331929621	487.615	VEHSWOXWNSVZCO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152675
c1(NC(=O)COc2nonc2CC(=O)N(CCCCCC)CCCC)sc2CCCc2c1C#N	EMOLS-id_333691944,MCULE-6881500519	487.615	ZAVYHVDZKBVWSE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-152676
c1(NC(=O)COc2nonc2CC(=O)NCCCCCCCCCC)sc2CCCc2c1C#N	MCULE-2665208379,EMOLS-id_333686097	487.615	USNYQMIKRAXUST-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-152677
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)N[C@@H](c1ccccc1)C(=O)O	SCHEMBL19536303	487.615	USXDPWRESVZHFD-KRWDZBQOSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152678
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SCc2nc(sc2)C)cccc1)C(=O)N	PC-id_16607085	487.615	MJHOMUQBXUWWHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152679
CC(C)CNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1	BindingDB_PC-id_59333986,SCHEMBL7017365,BindingDB-id_546031,PC-id_59333986	487.617	RIVVPQQSUFFZIV-HNNXBMFYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152680
CC(CNc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NCC1(C)C[C@H](CN1C)C)F)C	SCHEMBL19200828	487.617	XHYZXXRQAULTTK-GZAIGYLVSA-N	00000010100000100001000010000000000000000000000000000000	25-01-152681
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC1=C(F)C=NC(N1)(N)CC1CC1)(C)C	PC-id_118525404	487.617	IHZIBFOWDOTVOM-LNYMIDHXSA-N	00100010100011000001000010000000000000000000000000000000	25-01-152682
C[C@H]1CN(C)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC1=NC(N)(NC=C1F)CC1CC1)(C)C	SCHEMBL17275101	487.617	XKCWOKTUJLMLNX-LNYMIDHXSA-N	00100010100011000001000010000000000000000000000000000000	25-01-152683
Fc1c(Nc2n[nH]c3C(N(C(=O)N4CC(N(CC4C)C)(C)C)Cc23)(C)C)nc(NCC(C)C)nc1	PC-id_72257756	487.617	RIVVPQQSUFFZIV-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152684
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CS(=O)(=O)c1ccccc1)CC)C#N	PC-id_23406407	487.618	MIWHDZLZTGLAPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152685
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CS(=O)(=O)c1ccc(cc1)C)C)C#N	PC-id_23407180	487.618	GWRLWMQBOFYKHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152686
O=C(c1cnc(s1)C(C)(C)C)NCc1ccc(cc1C)c1ccnc(n1)Nc1cnn2c1CCC2	SCHEMBL16793753,PC-id_118139142	487.62	RHJKWUKWXMOLAR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152687
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331790513,MCULE-2746588374	487.635	CFQPUUSMZROXGU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152688
CC1CC(CC(N1S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2)C)NC(=O)C=C	PC-id_89237567,SCHEMBL14056196	487.635	NHBDCFNWVDOUIL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152689
CC1CN(CC(C1NC(=O)C=C)C)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	PC-id_89237400,SCHEMBL14056003	487.635	OUXIXTJEPUTROS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152690
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCC1CCCCC1	SCHEMBL14057411,PC-id_89238634	487.635	QBMJQMHORFOOJX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152691
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)CCC1CCCCC1	SCHEMBL14058141,PC-id_89239140	487.635	IKHGRKHUEHYJQH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152692
s1c2c(CCC2)c(c1NC(=O)CNc1c(c(C(=O)N2CCSCC2)ccc1)C)C(=O)OCC	PC-id_56278869	487.635	UIJNVVNHMGEHJI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152693
c1(C(=O)Nc2sc3c(CCC3)c2C(=O)NCCc2ccccc2)nc(sc1c1ccccc1)C	PC-id_43854741,MCULE-7395321213	487.636	ZVVYLQZIURSXKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152694
CCS(=O)(=O)c1cnc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)CC1CCC(CC1)(C)C#N	PC-id_134170817	487.638	STMJHGJCQVUAPI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152695
N#C[C@]1(C)CC[C@H](CC1)CN1Cc2c(C1)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC	SCHEMBL19771985	487.638	STMJHGJCQVUAPI-QXONSOMPSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152696
N#C[C@]1(C)CC[C@@H](CC1)CN1Cc2c(C1)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC	SCHEMBL19772162	487.638	STMJHGJCQVUAPI-PAVFIEEWSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152697
COc1ccc(c(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F)C	PC-id_140882985	487.642	DRYQGPMGZXGOGS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152698
OCC(c1ccc(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817051	487.642	YWDQKJZBIUMPRT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152699
OCC(c1cccc(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817078	487.642	ATLCRMIWKXWZRS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152700
OCC(c1ccccc1F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817151	487.642	NMKABLPOVUWHSF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152701
OC[C@H](c1ccc(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630850	487.642	YWDQKJZBIUMPRT-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152702
OC[C@H](c1cccc(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630857	487.642	ATLCRMIWKXWZRS-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152703
COCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19542024	487.658	DRKDYTMAORYJDD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152704
COC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537460	487.658	DRKDYTMAORYJDD-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152705
OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(CC)(C)C	SCHEMBL19312067	487.658	AOMNKGKMCBLGON-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152706
OCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537523	487.658	USJFOZUGGNOJFA-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152707
OC[C@H](c1ccccc1C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537540	487.658	TWSGIOKDDGKCSK-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152708
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(CC)(C)C	SCHEMBL19537114	487.658	AOMNKGKMCBLGON-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152709
OC[C@@H](NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)Cc1ccccc1	SCHEMBL19536307	487.658	JMYKSWKKDPHBMA-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152710
OC[C@@H](N(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C)c1ccccc1	SCHEMBL19537398	487.658	AGLPUFIWHOMBLS-LJQANCHMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152711
OC[C@H](NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)Cc1ccccc1	SCHEMBL19537542	487.658	JMYKSWKKDPHBMA-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152712
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)NC(C(O)(C)C)c1ccccc1	SCHEMBL19312156	487.658	DNKODWXDSUCSJI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-152713
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)N[C@H](C(O)(C)C)c1ccccc1	SCHEMBL19537120	487.658	DNKODWXDSUCSJI-SFHVURJKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-152714
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCC(C)C)sc2CCCc2c1C#N	MCULE-3046381384,EMOLS-id_331790514	487.678	RQRFOWSUEYHZLR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152715
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCCCC)sc2CCCc2c1C#N	MCULE-6048124913,EMOLS-id_331790269	487.678	SMUKWFFYJDUGQG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152716
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCCC)sc2CCCc2c1C#N	MCULE-9206813229,EMOLS-id_331791543	487.678	MYHLUMMLWWCGGL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152717
O=C(c1sc(c2c1CCC2)C(=O)O)CC(C(F)(F)F)(c1cc(Cl)c(c(c1)Cl)Cl)O	PC-id_140659779	487.705	JHXPCZCKPWFZAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152718
Brc1c(OCC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc(Cl)c1	PC-id_4445964	487.752	CXXMJVNFFSYIPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152719
c1(NC(=S)NC(=O)c2cc(I)ccc2Cl)sc2c(CCC2)c1C#N	PC-id_1016877,CoCoCo_6153988,SPECS-id_AN-465/41165761,ZINC22_678897,MCULE-9079745195,EMOLS-id_1720045	487.766	VFUJZHNSLATPDU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152720
BrC1=C(Br)c2sc(Br)c(Br)c2S1(=O)=O	PC-id_44254992	487.809	FGYXIHSMLWNKCR-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-152721
Cc1c(C(=O)C(=O)NC2(COC2)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	SCHEMBL19900892,PC-id_134285185,BindingDB-id_799313	487.832	OSDGRCKRFQBWTF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-152722
Cc1c(n2c(c1C(=O)C(=O)N[C@H](C)C(F)(F)F)CCC2(C)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920601,PC-id_134302886	487.875	OOWBQGUSZDMJRZ-LLVKDONJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152723
CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2c1CCC2(C)C)C(F)(F)F	BindingDB-id_799323,PC-id_134586557,SCHEMBL20238885	487.875	OOWBQGUSZDMJRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152724
FC(F)(F)c1ccc(Cl)c(c1)c1ccc(/C=c/2sc3nc(Cc4ccccc4)nn3c2=O)o1	EMOLS-id_45812831,ZINC22_8763587	487.881	XCFOWCDHGSLUFC-UNOMPAQXSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152725
FC(F)(F)c1ccc(Cl)c(c1)c1ccc(/C=c/sc3nc(Cc4ccccc4)nn3c2=O)o1	EMOLS-id_46397864,ZINC22_28166515	487.881	XCFOWCDHGSLUFC-XDHOZWIPSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152726
n12nc(nc1sc(=Cc1ccc(c3c(Cl)ccc(c3)C(F)(F)F)o1)c2=O)Cc1ccccc1	MCULE-6076837721	487.881	XCFOWCDHGSLUFC-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152727
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=N)OC(=N)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302880,SCHEMBL19920594	487.911	GFWOSUGVDCVFEY-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-152728
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(OC)c(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333648530,MCULE-8872441679	487.916	JZQFWJQYVZFETM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152729
c1(NC(=O)COc2nonc2C(=O)NCC(O)c2ccc(cc2)Cl)sc2CCCc2c1C#N	MCULE-2610960942,EMOLS-id_333714749	487.916	XBFJHGJIEAHGEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152730
Cc1c(C(=O)C(=O)NC2(CC2)c2nncs2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	SCHEMBL19900764,BindingDB-id_799318,PC-id_134285072	487.934	MAMXSTZCTVKKMP-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152731
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)ccc1OC	PC-id_16948105	487.956	UWOLQYBCJXQBBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152732
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)c(OC)cc1	PC-id_16948078	487.956	RJRLJISPXPTPJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152733
COC(=O)c1c(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)sc2c1CCC2	MCULE-6652959551,ZINC22_2617153,CoCoCo_3146686,PC-id_2078975,EMOLS-id_3196929	487.956	FQSVGAKSWLOLEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152734
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-4156043739	487.957	DNEMMSUPUHWEQS-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152735
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-9023925576	487.957	SJVPJLXTAHTOQI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152736
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-4324357472	487.957	ORBCKAFDRFTYQW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-152737
Clc1sc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_5061791	487.958	GNZNNPSUUSPEGE-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-152738
COc1ccc(CCc2nc3s/c(=Cc4c(Cl)nc5scc(C)n45)/c(=O)n3n2)cc1OC	EMOLS-id_324890635	487.982	ODCPMZFKVFMWHE-SXGWCWSVSA-N	00000000100000110001000110000000000000000000000000000000	25-01-152739
COc1ccc(OCCCc2nc3s/c(=Cc4c(Cl)nc5scc(C)n45)/c(=O)n3n2)cc1	EMOLS-id_324891138	487.982	FGFJTLUUSFAWOP-YBEGLDIGSA-N	00000000100000110001000110000000000000000000000000000000	25-01-152740
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3487000242	487.982	ODCPMZFKVFMWHE-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-152741
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CCCOc1ccc(OC)cc1	MCULE-6819420428	487.982	FGFJTLUUSFAWOP-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-152742
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=NC(=C3)Cl)F	PC-id_155278648	488.01	ZKMCDYVIOWLBPR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152743
c1(NC(=S)NNC(=O)CSCc2ccc(cc2Cl)F)sc2c(CCC2)c1C(=O)OC	PC-id_17373219,CoCoCo_6808591,TIMTEC269187,MCULE-4808559545,EMOLS-id_4165197	488.019	KPVHTTDFBDWUEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152744
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3C)n2)sc2c(CCC2)c1C(=O)OCC	MCULE-9324472549,PC-id_19119419	488.022	VWEOYUAGDFKIHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152745
c1(NC(=O)c2c(Cl)cnc(SCc3ccc(cc3)C)n2)sc2c(CCC2)c1C(=O)OCC	ZINC22_12062587,CoCoCo_2237402,PC-id_16447318,TIMTEC98518,EMOLS-id_9847658,MCULE-8638126051	488.022	CHMGTXRVGPDLBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152746
c1(NC(=O)c2c(Cl)cnc(SCc3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)OCC	PC-id_19119550,MCULE-8177559808	488.022	JHIQJDZGJHDIIT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152747
Clc1ccc(c2c(nc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nc2N)CC)cc1	PC-id_24670048	488.025	PBZDBUKCHVHWJI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152748
Clc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)N(C[C@@H]1C(C)C)C	PC-id_66740183,SCHEMBL602007	488.025	MVZMAOQCVKUGCA-GOSISDBHSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152749
Clc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(C(=O)N3C(CN(C(C3)(C)C)C)C(C)C)Cc12)(C)C	PC-id_77183239	488.025	MVZMAOQCVKUGCA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-152750
C1CCC(C(C1)C(=O)CCCc1c(c2c(s1)CCC2)C(=O)NCc1ccc(cc1)Cl)C(=O)O	SCHEMBL20353997,PC-id_135200412	488.039	CEXRDGBAEUTURP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152751
C1CC(OC1)CNC(=O)C1CCN(CC1)C(=O)C1Cc2c(N1Cc1ccc(cc1)Cl)ccs2	PC-id_90840244	488.042	SSEYSFYRPLPPDA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152752
Clc1ccc(S(=O)(=O)NC(CCSC)C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_24540834	488.044	PKAVTTZDMGUXEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152753
CCC(CC1Cn2c(C1)cn(/c/2=NCl)CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CC	SCHEMBL14369546	488.105	SGLMXWAUKKYHKS-URGPHPNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152754
CCC(CC)CC1Cc2cn(c(=NCl)n2C1)CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	PC-id_89316926	488.105	SGLMXWAUKKYHKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152755
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C(=N1)NC(=O)C4=CC=C(C=C4)O	PC-id_165180367	488.131	YIKYQBPUIUWYRG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152756
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)OC(F)(F)F	PC-id_160069361	488.167	MDQWEMBYWDNZDM-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152757
CC1=NN2CCN(C2=C1C(=O)N[C@@H](CO)C3=CC=C(C=C3)C(=O)O)CC4=CC(=CC=C4)C(F)(F)F	PC-id_160869041	488.167	PZTXBDPNSKEZJK-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-152758
CC1(CN2C(=C(C=N2)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N)O1)COC	PC-id_165370465	488.188	RQWMRIHIDGVYID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152759
CCC(=O)C1(CC(C1)(F)F)CC(=O)C(=O)C2=C3CCCN3C(=C2)C(=O)NC4=CC=CC(=C4)C(C)F	PC-id_160334184	488.192	RFXVMTYWPTVRJP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-152760
BrC1=C(Br)C(=O)C(=C/C/1=C/Nc1sc2c(CCC2)c1C(=O)N)OCC	PC-id_50883533	488.194	YUKJRTXMUUJXGT-FPLPWBNLSA-N	00000010100011000000000010000000000000000000000000000000	25-01-152761
BrC1=C(Br)C(=O)C(=CC1=CNc1sc2c(CCC2)c1C(=O)N)OCC	PC-id_75573119	488.194	YUKJRTXMUUJXGT-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-152762
Cc1cc(Br)cc(Br)c1OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4503684,ZINC22_16281983	488.194	SJVJVALGJUWWRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152763
CCOc1c(c(c(c(c1)C=Nc1c(c2c(s1)CCC2)C(=O)N)Br)Br)O	PC-id_136071003	488.194	LFRZTRVNMGLMSO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152764
CC(C)C1=NN(C(=C1)NC2=C(C(=CC(=C2)O)O)C(=O)N3CC4=C(C3)NN=C4)CC5=CC=C(C=C5)OC	PC-id_155268958,CHEMBL4585783	488.217	UYRCXXZFHNZBNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152765
c1cc(c(c(c1)[N+](=O)[O-])Cl)C(=O)Cc1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_135424247	488.241	HJJQJTZZMCBZKE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152766
c1cc(c(c(c1)[N+](=O)[O-])Cl)C(=O)Cc1nc(c2n1/C(=N/C(=O)Nc1ccc(cc1)Cl)/N=N2)O	PC-id_135447572	488.241	HJJQJTZZMCBZKE-HKOYGPOVSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152767
c1cc(c(c(c1)[N+](=O)[O-])Cl)C(=O)Cc1nc(c2n1/C(=NC(=O)Nc1ccc(cc1)Cl)/N=N2)O	PC-id_137265862	488.241	HJJQJTZZMCBZKE-MOHJPFBDSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152768
N1=C(n2c(C1=O)nnc2NC(=O)Nc1ccc(Cl)cc1)CC(=O)c1cccc(N(=O)=O)c1Cl	SPECS-id_AT-225/NB55287,MCULE-8112313296,PC-id_4180278,ZINC22_25585661	488.241	MHHNVQKEUYXLDG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152769
CCOC1=NC=C(C(=N1)NC2=NNC3=C2CN(C3(C)C)C(=O)N4CCN(CC4)C5CCOCC5)F	PC-id_153304855	488.266	HLYWBXVXLMUBKQ-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-152770
Brc1cccc(NC(=O)c2nonc2OCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-9019088161,EMOLS-id_333679349	488.315	QBPBFRQDIHTEGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152771
Brc1ccc(NC(=O)c2nonc2OCC(=O)Nc2sc3CCCc3c2C#N)cc1	MCULE-9162259199,EMOLS-id_333678580	488.315	VQQCWVZDMDARQZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152772
CC1(c2c(CN1C(=O)N(c1ccccc1Cl)Cl)c(n[nH]2)NC(=O)c1ccc(cc1)C(=O)O)C	PC-id_87320384,SCHEMBL1987626	488.323	PNZXASNHPHPHSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152773
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(cc4)C(=O)O)c3C2)(C)C)c(Cl)ccc1	PC-id_24947323,SCHEMBL1983900	488.323	BRYGAKBCSONJJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152774
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(ccc4)C(=O)O)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1983891,PC-id_24948638	488.323	LLJGARHXJPWXAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152775
CCc1cccc(OCc2nc3s/c(=Cc4cc(Br)c(O)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324886538	488.354	YPHRAMKXEBKJFH-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152776
CCc1ccc(OCc2nc3s/c(=Cc4cc(Br)c(O)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324889600	488.354	OVQSTCAUORVCKI-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152777
COc1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324851959	488.354	IMEQOZFBUNDXIA-ATVHPVEESA-N	00000000100000110001000010000000000000000000000000000000	25-01-152778
COc1cc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc(Br)c1O	EMOLS-id_324871177	488.354	LZDITPFEMKXDGG-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152779
COc1cc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc(Br)c1O	EMOLS-id_324877323	488.354	ATIYDEGGSVHQLP-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152780
COc1cc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc(Br)c1O	EMOLS-id_324879374	488.354	LCIVDPTUMDNKTK-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152781
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)CCCOc1ccccc1	MCULE-2054323267	488.354	IMEQOZFBUNDXIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152782
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1ccc(cc1)CC	MCULE-3607586882	488.354	OVQSTCAUORVCKI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152783
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1cc(C)ccc1C	MCULE-1057959799	488.354	LCIVDPTUMDNKTK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152784
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1cccc(C)c1C	MCULE-7452524917	488.354	ATIYDEGGSVHQLP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152785
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1c(C)cccc1C	MCULE-9900045953	488.354	LZDITPFEMKXDGG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152786
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1cccc(CC)c1	MCULE-4582442729	488.354	YPHRAMKXEBKJFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152787
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2Br)OC	SCHEMBL20580402,PC-id_137355892	488.373	RVVMHOYCRVYIDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152788
CCOc1c(ccc(c1)[C@H](CN1C(=O)c2c(C1=O)scc2Br)S(=O)(=O)C)OC	PC-id_137361786,SCHEMBL20587377	488.373	AULPRBHWYMSJMM-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152789
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2Br)OC	PC-id_137355891,SCHEMBL20580401	488.373	RVVMHOYCRVYIDH-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152790
Brc1ccccc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324832501	488.399	APANDLWIRYCLGL-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152791
Brc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1	EMOLS-id_324830451	488.399	BWFLWLMLRWPZAD-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152792
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-4538048935	488.399	BWFLWLMLRWPZAD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152793
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3899442426	488.399	APANDLWIRYCLGL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152794
s1c2CCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1cc(ccc1)C(F)(F)F)C(F)(F)F	PC-id_24665352	488.406	NCMBTMVDBZUWGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152795
Clc1c(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3CCCc3c2C#N)cccc1Cl	PC-id_3998002	488.409	OWXMZNABPRTLLC-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152796
Clc1c(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3CCCc3c2C#N)ccc(Cl)c1	PC-id_73368507	488.409	FLSHUHHMCKRCER-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152797
Clc1cc(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3CCCc3c2C#N)cc(Cl)c1	PC-id_73368574	488.409	JNQQUGWVYOEDCS-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152798
N#Cc1c(NC(=S)NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCC2	PC-id_17113914,ZINC22_8833087	488.409	FLSHUHHMCKRCER-RMKNXTFCSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152799
N#Cc1c(NC(=S)NC(=O)/C=C/c2ccc(c3cc(Cl)cc(Cl)c3)o2)sc2c1CCC2	ZINC22_14274961,PC-id_17114354	488.409	JNQQUGWVYOEDCS-FNORWQNLSA-N	00000010101000110000100010000000000000000000000000000000	25-01-152800
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C#C)F)C(=O)ONc1c(cccn1)N=N	SCHEMBL19920656,PC-id_134302938	488.419	JICRZTDYTLVVIY-GFCCVEGCSA-N	00001010100000101000000010000000000000000000000000000000	25-01-152801
CC(C)(C)c1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324917760	488.429	FGVHDTNHWQPOMT-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152802
n12nc(nc1sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-3260576637	488.429	FGVHDTNHWQPOMT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-152803
O=C(Cc1csc2c1C(=O)C(=N)N2C)NC1SC=C(N1)c1ccc(c(c1F)C(F)(F)F)F	SCHEMBL18828377	488.454	DMKJNGOGSUOSOA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-152804
COc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740121	488.459	HUUDICMQFUCIOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152805
COc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740122	488.459	XDAMBRBXJSPXAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152806
COc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740118	488.459	HUUDICMQFUCIOS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152807
COc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740119	488.459	XDAMBRBXJSPXAI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152808
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)O)C	SCHEMBL18758489	488.459	FTHRNMUOIZNFJZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152809
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)O)C	SCHEMBL18758490	488.459	FTHRNMUOIZNFJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152810
FC(F)(F)c1ccc(/C=C/CN(c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_5278929	488.459	PJKBLZAHRFKXFS-OSFWOZTASA-N	00000010100000110001000010000000000000000000000000000000	25-01-152811
FC(F)(F)c1ccc(C=CCN(c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_78381749	488.459	PJKBLZAHRFKXFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152812
OCc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740060	488.459	GTTRBJDFOLHIFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152813
OCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740214	488.459	GTTRBJDFOLHIFF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152814
OCc1nn2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740305	488.459	OQSOZOZUBZYDDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152815
OCc1nn2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758670	488.459	OQSOZOZUBZYDDB-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152816
Cc1c(n2CCCc2c1C(C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)O)C(=O)Nc1ccc(cc1)F	SCHEMBL20259537,PC-id_134604977	488.462	VQIFWLMVIGFQJV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152817
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNNN1)C(=O)Nc1cc(c(cc1)F)C(F)F	PC-id_134302815,SCHEMBL19920526	488.462	ZJWMBZJNKUYVMY-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-152818
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C(Nc1ccc(cc1)F)O	PC-id_134303093,SCHEMBL19920819	488.462	JPXNRFZQJKMSSP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152819
Fc1ccc(cc1)NC(=O)c1c(C)c(n2c1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C1=CNNN1	PC-id_139525077,SCHEMBL21398365	488.462	SMXOXMHXWAAARF-UHFFFAOYSA-N	00001011100000110001100010000000000000000000000000000000	25-01-152820
COCC(N1Cc2c(C1)[nH]nc2C(=O)N(CCC(c1ccc(c(c1C(F)(F)F)F)F)CC)C)C	PC-id_144955005	488.494	BRYZGZNYNOPXKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152821
CC(CNC(=O)c1c(sc2c1C(OC2(C)C)(C)C)NC(=O)c1c(cccc1F)C(F)(F)F)O	PC-id_91327799	488.496	MXHOOTXGTRVGRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152822
C[C@@H](CNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)O	SCHEMBL2162163,PC-id_24772742	488.496	MXHOOTXGTRVGRB-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-152823
COCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	SCHEMBL2162161,PC-id_24772473	488.496	UJZUVCFLDCSPMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152824
OCCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C	PC-id_24772745,SCHEMBL2162447	488.496	XSXUZGMAZWFBOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152825
C[C@@H](c1ccc(cc1)C(=O)O)NC(c1c(C)nn2c1N(CC2)[C@@H](c1ccc(cc1)C(F)(F)F)C)O	PC-id_138705358,SCHEMBL21081520	488.502	XSDNHRDCBPVTKQ-KGALNUHUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152826
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccnc(n3)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1	BindingDB_PC-id_59474238,SCHEMBL1369121,PC-id_59474238,BindingDB-id_218945	488.509	HBKYOOBCLNADIO-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152827
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccc(cc1)C(C)(OC)OC)C(=O)[O-]	PC-id_89437198,SCHEMBL14774954	488.514	SQKVTGWMPNBFFI-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-152828
OCC(=O)Nc1ccc(cc1)C#Cc1cc2n(c1)C(=O)N(C2)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL17080562,PC-id_118368828	488.514	JWMSOCCIDKJYOC-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152829
OCC(=O)Nc1ccc(cc1)C#Cc1cc2n(c1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL17080565,PC-id_118368831	488.514	JWMSOCCIDKJYOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152830
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CNC(=O)O)C	SCHEMBL18588214	488.514	TVKSGENGHYGPTO-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152831
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CNC(=O)O)C	SCHEMBL18588215	488.514	TVKSGENGHYGPTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152832
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)COC(=O)N)C	SCHEMBL18729902,PC-id_118368876	488.514	INQXUOSLQVLYEO-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152833
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)COC(=O)N)C	SCHEMBL18729904	488.514	INQXUOSLQVLYEO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152834
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCC(=O)N)cc1)C(=O)OC	PC-id_4667258	488.514	GHDBPVFTBAFSBM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152835
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCC(=O)N)cc1)C(=O)OC	PC-id_9681769	488.514	GHDBPVFTBAFSBM-YSURURNPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152836
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCC(=O)N)cc1)C)C(=O)OC	PC-id_5216549	488.514	GCEZCSZIJWBXFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152837
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCC(=O)N)cc1)C)C(=O)OC	PC-id_9612479	488.514	GCEZCSZIJWBXFT-OPEKNORGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152838
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCC(=O)N)cc1)C(=O)OCC	PC-id_4671804	488.514	VSNINDAMNJONQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152839
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCC(=O)N)cc1)C(=O)OCC	PC-id_9681963	488.514	VSNINDAMNJONQL-YSURURNPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152840
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-7698054771	488.515	KNVFXZBECDDBGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152841
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)cc1	EMOLS-id_323164802	488.515	KNVFXZBECDDBGB-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152842
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)C(=O)OCC)sc2CCCc2c1C#N	MCULE-5311909032,EMOLS-id_333688873	488.517	VZTSQSCUCZSTGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152843
CC1C(c2c(S1)ccn2Cc1ccc(cc1)C(F)(F)F)C(=O)NC(C)c1ccc(cc1)C(=O)O	PC-id_91077625	488.522	VVYGBZQCKQMFOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152844
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)OC	PC-id_41888815	488.529	HQMCXBIJYQIFAH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152845
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)C1(CNC1)F)(C(=O)NO)S(=O)(=O)C	PC-id_135315191,SCHEMBL20484628	488.532	HYEJJNPKXYBWKB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152846
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(F)CNC1)C	SCHEMBL20484626	488.532	HYEJJNPKXYBWKB-JOCHJYFZSA-N	00001010100000110001100010000000000000000000000000000000	25-01-152847
ONC(=O)CC(C(=O)NCC(=O)c1c[nH]c2c1NCC2)CCCc1cc(OC)c(c(c1)OC)OC	PC-id_141911930	488.533	ALQLZALXMIWDEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152848
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1)C(=O)N	PC-id_55466489	488.533	NIKFIKVLOOJCRK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-152849
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1cnc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_14124282	488.537	ASMGUYPARIPXOT-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152850
S1C2N(C(=O)C2C(O)C)C(=C1SC1CCn2c1ncc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_14124238	488.537	RHNRBGFEFGXZLY-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152851
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(C1)cnc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_14124245	488.537	WZPOKAIJLAZYIS-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152852
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(ncc2)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_14124240	488.537	ATUARYQUZAYCMS-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152853
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1CCn2c1cnc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_11755242	488.537	ASMGUYPARIPXOT-VWEVLOBGSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152854
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1CCn2c1ncc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_10051179	488.537	RHNRBGFEFGXZLY-IOGWDMJISA-N	00001011100000110001001010000000000000000000000000000000	25-01-152855
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1Cn2c(C1)cnc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_10028452	488.537	WZPOKAIJLAZYIS-VWEVLOBGSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152856
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1Cn2c(ncc2)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_10390784	488.537	ATUARYQUZAYCMS-BZEPGZBPSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152857
S1[C@@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1cnc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_57246600	488.537	ASMGUYPARIPXOT-BYZRSAABSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152858
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1CCn2c1cnc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_57262018	488.537	ASMGUYPARIPXOT-JQDPCXMUSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152859
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1Cn2c(C1)cnc2)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_57198719	488.537	WZPOKAIJLAZYIS-JQDPCXMUSA-N	00001011100000110001001010000000000000000000000000000000	25-01-152860
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1Cn2c(ncc2)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_57214791	488.537	ATUARYQUZAYCMS-QLIYLNMASA-N	00001011100000110001001010000000000000000000000000000000	25-01-152861
CC1=Nn2c(nc(n2)C(C)CNC(=O)c2ccccc2C(=O)OCC(C)C)C1=Nc1ccc(cc1)O	PC-id_136154290	488.538	GOVYDEWMFAHLPS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152862
COC(=O)c1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408621123	488.552	OEUACVWAOBYQNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152863
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC22_408602264	488.552	CWCBYHTXKOZLED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152864
COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408617146	488.552	HWCLXTYGFXDMMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152865
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(=O)OC	PC-id_51920361	488.553	CPTZMUYIOXSQLU-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152866
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(=O)OC	PC-id_51920362	488.553	CPTZMUYIOXSQLU-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152867
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C)C(=O)OC	PC-id_45620239	488.553	CPTZMUYIOXSQLU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152868
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OC(C)C)cc1)C(=O)OCC	PC-id_45620654	488.553	WPKYNEFZXBETEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152869
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OCCCC)cc1)C(=O)OC	PC-id_24367512	488.553	HQISWADQLNUYIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152870
CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(F)cc3)c(C(=O)N)c2N)sc2c1CCC2	EMOLS-id_43900665,ZINC22_9765650,MCULE-2971269189,PC-id_16300487,CoCoCo_3827043	488.555	VULTYHVVKZBHKF-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-152871
COC(=O)C(NC(=O)C1(C)Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)Cc1ccc(cc1)O	PC-id_67856032,SCHEMBL9458944	488.555	ODZANYSEKXBODY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152872
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(S(=O)(=O)N)cc1	PC-id_16947325	488.555	RMCYWLQODOKZAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152873
s1c2CCC(c2nc1NC(=O)CCc1nc(sc1)NC(=O)c1ccc(F)cc1)C(=O)OCC	PC-id_45535370	488.555	STTKZGZZSKQOEB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152874
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCOCCO)sc2CCCc2c1C#N	MCULE-7153563232,EMOLS-id_331931417	488.557	HRFDYGXXZBQKHS-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-152875
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CCN(C1)C1COC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484847,PC-id_135315381	488.557	NBELYXRDOPAYSJ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-152876
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CC(C1)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315184,SCHEMBL20484619	488.557	AUAHJGJDVMIXGZ-KXNZUKPASA-N	00001010100000000001100010000000000000000000000000000000	25-01-152877
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CC(C1)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484622,PC-id_135315187	488.557	AUAHJGJDVMIXGZ-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-152878
O=C(C1CCCCC1)Nc1sc2c(c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(c1=O)C)CCC2	GD-id_ZINC10933684,PC-id_45663377	488.557	IKBABBHSUZYAMP-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152879
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CCN(C1)C1COC1)C	SCHEMBL18587889	488.557	NBELYXRDOPAYSJ-IRCUZVAFSA-N	00001010100000000001100010000000000000000000000000000000	25-01-152880
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)[C@@H]1C[C@H](C1)O)C	SCHEMBL20484789	488.557	AUAHJGJDVMIXGZ-KKLQWCBXSA-N	00001010100000000001100010000000000000000000000000000000	25-01-152881
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)[C@@H]1C[C@@H](C1)O)C	SCHEMBL20484840	488.557	AUAHJGJDVMIXGZ-QMHWCDLVSA-N	00001010100000000001100010000000000000000000000000000000	25-01-152882
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)C(=O)OCC	PC-id_16947981	488.557	QVKJVOOZXOYASK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152883
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)CC)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_2644352,ZINC22_9206307,TIMTEC261829,MCULE-2709526754,CoCoCo_2236443,PC-id_16453206	488.558	KHTOTIWTYSJAOJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-152884
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCC2)c1C#N	MCULE-6641433308	488.558	QDHNCSGQMOXPBY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152885
c1(NC(=O)COc2cccnc2NC(=O)CCC(=O)c2ccc(C)cc2)sc2c(CCC2)c1C#N	MCULE-9320819890,EMOLS-id_321807472	488.558	OIDCNGOZUMZSFD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152886
CCc1ncc(c(n1)Nc1nn(c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C)OC(=O)C)F	SCHEMBL3326530,PC-id_68596981	488.558	OHKJUWGLZSOQEH-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152887
CCOc1ccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_321809008	488.558	QDHNCSGQMOXPBY-JLHYYAGUSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152888
CNC(=O)[C@@H](NC(=O)C(CP(=O)(C[N+]1([O-])Cc2c(C1)csc2[O-])O)CC(C)C)CC(C)C	SCHEMBL9503069	488.558	NCQXYEFWAXUMPS-NFUMSIQGSA-M	00000010100000000000000010000000000000000000000000000000	25-01-152889
Fc1c(Nc2nn(OC(=O)C)c3C(N(Cc23)C(=O)N2C(CN(C(C2)C)C)C)(C)C)nc(nc1)CC	PC-id_77528823	488.558	OHKJUWGLZSOQEH-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152890
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(Cc1ccccc1)c1ccccc1)C(=O)N	PC-id_46582951	488.558	MPTIRALHXPQONU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152891
CCCCN1CC(N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(cc(cc1)F)F)C	PC-id_91556529	488.573	WBSZUABGUWWYQB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152892
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(F)cc1	EMOLS-id_328222840,MCULE-3453226615	488.573	YRCOBEJTQHMIJB-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-152893
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_44028899	489.028	KGDAHCITYWVJEQ-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-153036
O=C(CC(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)(C)C)Nc1sc2c(c1C(=O)[O-])CCC2	PC-id_1806300,GD-id_ZINC02158391	488.576	RUPLTNGQLSTCDA-UHFFFAOYSA-L	00000010100000000000000010000000000000000000000000000000	25-01-152894
OC[C@@H](Oc1cc(Oc2ccc(cc2)S(=O)(=O)C)cc(c1)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_59811577,SCHEMBL13255185	488.576	UROKEJOOKPHNGH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152895
OCC(Oc1cc(Oc2ccc(cc2)S(=O)(=O)C)cc(c1)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_72568795,SCHEMBL3604407	488.576	UROKEJOOKPHNGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152896
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2occc2)C)cc1)C(=O)OCC	PC-id_43947504	488.576	GSASWFWZKHQHDY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-152897
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCC2)c1C#N	PC-id_3242290,CoCoCo_5016038,CHEMBL1489714,EMOLS-id_5472366,BindingDB-id_74280,BindingDB_PC-id_3242290,ZINC22_4077824,MCULE-4691056444	488.58	KPLSAQXXYOMJBE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152898
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCC(CC2)C(=O)N)sc2CCCc2c1C#N	EMOLS-id_333772884,MCULE-2482786256	488.58	NGQKZRMFDMQIEW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152899
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)C)sc2CCCc2c1C#N	EMOLS-id_333772626,MCULE-5246648182	488.58	XCDDJENBNJSZLA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152900
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCC2	PC-id_17114136,ZINC22_14274770	488.58	WRHCKRJGJKWWDC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-152901
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1occc1)C(=O)OC	PC-id_19724058	488.58	YPOROPOUBTVOGV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-152902
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)C)C(=O)OC	PC-id_17264093	488.58	LKPNUWWMPMAZKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152903
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)C)C(=O)OC	PC-id_19633279	488.58	JSZLMVAAQWAQGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152904
C1c2[nH]nc(N(C(=O)c3ccc(N4CCN(C)CC4)cc3)C)c2CN1C(=O)[C@@H](c1ccccc1)OC	MCULE-8756463198	488.581	CABANBFIRPOJFJ-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-152905
CN(CC(c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1c1ccccc1)C	SCHEMBL1206486,PC-id_66941835	488.581	UARGPEQUSXZSBF-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-152906
CN(C[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1CC1c1ccccc1)C	SCHEMBL1206482,PC-id_66941834	488.581	UARGPEQUSXZSBF-OBFZPWGMSA-N	00100010100000111001100010000000000000000000000000000000	25-01-152907
CN(C[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)[C@@H]1C[C@H]1c1ccccc1)C	SCHEMBL1206483,PC-id_24765703	488.581	UARGPEQUSXZSBF-NNMXDRDESA-N	00100010100000111001100010000000000000000000000000000000	25-01-152908
COC(C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)CC)c1ccccc1	PC-id_21874011,SCHEMBL3486749	488.581	DQZIXCNNUYBJFM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152909
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)CC)c1ccccc1	PC-id_11213960,SCHEMBL1377947	488.581	DQZIXCNNUYBJFM-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-152910
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(C(C1)C)C)c1ccccc1	PC-id_11431785,SCHEMBL1378871	488.581	WGHIJJDQGIWJHO-VCUSLETLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152911
CC(C)(C)c1ccc(cc1)C(=O)Nc1c2CNCc2nn1C(=O)c1csc(n1)NS(=O)(=O)C	PC-id_87639597,SCHEMBL4240990	488.583	XKMHCWDNQCIEKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152912
CC(C)(C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)c1csc(n1)NS(=O)(=O)C	SCHEMBL2921116,PC-id_87455644	488.583	JUZRBTRTKQVVPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152913
CC(C)(C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CNC2C(=O)c1csc(n1)NS(=O)(=O)C	SCHEMBL4240994,PC-id_87639598	488.583	ZBTUSYWDINMGCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152914
CC(C)(C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1C(NC2)C(=O)c1csc(n1)NS(=O)(=O)C	SCHEMBL4241000,PC-id_87639599	488.583	DPQUDALJLGVXTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152915
Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(n1)N1CCOCC1	BindingDB-id_218924,SCHEMBL3504007,PC-id_59474180,BindingDB_PC-id_59474180	488.585	LZYLKBZRSREOLS-AZUAARDMSA-N	00100010100010110001100010000000000000000000000000000000	25-01-152916
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1cc(nc(n1)C)N1CCOCC1)NC1CC1c1ccccc1	SCHEMBL3504004,PC-id_68668611	488.585	LZYLKBZRSREOLS-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-152917
O=C(N[C@@H]1[C@H](C1)c1ccccc1)N1C(c2[nH]nc(Nc3nc(nc(N4CCOCC4)c3)C)c2C1)(C)C	PC-id_11554919	488.585	LZYLKBZRSREOLS-QUCCMNQESA-N	00100010100010110001100010000000000000000000000000000000	25-01-152918
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)c1ccccc1)C(=O)O	PC-id_135200327,SCHEMBL20353908	488.598	XDIICQNQCXPNIA-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152919
CC[C@H]1N(Cc2ccc(cn2)F)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18368074	488.598	RUOVJEDRQWQVAU-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-152920
c1(c2CCCc2sc1NC(=O)CNCCN1CCOCC1)C(=O)Nc1ccc(cc1OC)OC	MCULE-1267325231,PC-id_2922313,ZINC22_22938802,CoCoCo_865378,EMOLS-id_2184134	488.6	RODUTGPBMJWVKJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152921
c1(NC(=O)COc2c(Cl)c(Cl)c(c(Cl)c2Cl)Cl)sc2c(CCC2)c1C(=O)N	MCULE-1922020112,PC-id_19178149	488.6	UYLJNINSCOKPKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152922
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCO)sc2CCCc2c1C#N	EMOLS-id_331930909,MCULE-6041836261	488.6	MQKKTOKLUYRQLO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152923
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCOCCO)sc2CCCc2c1C#N	MCULE-5319600179,EMOLS-id_331929114	488.6	JATOECGVCYUAAB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152924
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCOC)sc2CCCc2c1C#N	MCULE-4279279270,EMOLS-id_331921693	488.6	RYAJUHREZAYCKK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152925
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCCCO)sc2CCCc2c1C#N	MCULE-6566781792,EMOLS-id_331928599	488.6	IFAFTYAMXSFYHA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152926
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCOCC)sc2CCCc2c1C#N	MCULE-2754259660,EMOLS-id_331919643	488.6	WCRTZESUEFNQNJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152927
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CC)sc2CCCc2c1C#N	MCULE-6956798090,EMOLS-id_331923480	488.6	CMPPNMVOKGRPJI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152928
Clc1ccc(C2(CCCC2)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc1	PC-id_44053086	489.03	FYKMYTUARYARRI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153037
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CC(C)C)sc2CCCc2c1C#N	MCULE-2005707336,EMOLS-id_331921940	488.6	XXSDAQCDJUWSSF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152929
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCCC)sc2CCCc2c1C#N	MCULE-7586509469,EMOLS-id_331921944	488.6	CTZKLGURRSJSLB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152930
s1c2c(CCC2)c(c1NC(=O)C(N(CC(=O)Nc1cc(OCC)c(OCC)cc1)C)C)C(=O)N	PC-id_24506806	488.6	URTOVLYXFPPRPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152931
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-1236323893,EMOLS-id_331926544	488.601	XTIBACPPHONBJJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152932
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CC=C)sc2CCCc2c1C#N	EMOLS-id_332715329,MCULE-4666248420	488.601	BJAWFBAKAWYLAR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152933
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CC=C)sc2CCCc2c1C#N	MCULE-7645980099,EMOLS-id_332716354	488.601	OIXRVXLTOIRQHU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152934
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CC=C)sc2CCCc2c1C#N	EMOLS-id_332717378,MCULE-2623591646	488.601	FJIXWBDLFPOARG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152935
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CC=C)sc2CCCc2c1C#N	MCULE-9337727521,EMOLS-id_332717122	488.601	MKHZEXDMZFCFKR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152936
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CC=C)sc2CCCc2c1C#N	MCULE-9656861423,EMOLS-id_332716866	488.601	UADFVTNWWPHOSC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152937
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332714305,MCULE-4244315449	488.601	UGRGHKHBAZNXOR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152938
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332716864,MCULE-4695400568	488.601	GNKWISLLXMRZBU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152939
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331925780,MCULE-8009527010	488.601	FFTJSDWFZFJTFZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-152940
CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1	PC-id_25155747,BindingDB-id_546055,SCHEMBL3331560,BindingDB_PC-id_25155747	488.601	INVLFTRLOIZJTP-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152941
C[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1c1ccc(F)cc1)N(C)C	CoCoCo_3643527,PC-id_41103046,ZINC22_9512639	488.601	ZEYMZCMPOYSCRQ-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152942
C[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1c1ccc(F)cc1)N(C)C	ZINC22_9512641,PC-id_41103049,CoCoCo_3643528	488.601	ZEYMZCMPOYSCRQ-GFCCVEGCSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152943
COCCCN1CC(C)N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(CC)ncc1F	SCHEMBL3326914,PC-id_68597177	488.601	INVLFTRLOIZJTP-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-152944
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnc(n1c1ccc(cc1)F)C(N(C)C)C	PC-id_16345186,MCULE-2956229331,EMOLS-id_11789078,SCHEMBL20936177	488.601	ZEYMZCMPOYSCRQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152945
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C=CC2=O)C)C1)C(=O)NCCc1ccccc1	PC-id_73537586	488.601	HEGOCXLFANQDSY-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-152946
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC=C2)C)C1)C(=O)NCCc1ccccc1	PC-id_73535724	488.601	NHTCIOXUNCBMRG-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-152947
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C=C(C=C2)C)C1)C(=O)NCCc1ccccc1	PC-id_73537617	488.601	UOOLKWLXZFNIEB-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-152948
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_16947636	488.601	APZOUYXMEZEDFS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152949
Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCc3nnc4n3CCC4)CC2)c(C)c1	ZINC22_32889121,CoCoCo_4560534,MCULE-8729528674,PC-id_40124258,EMOLS-id_25654558	488.603	JKSAPQTXUSTRMM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152950
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(cc1)C#N	PC-id_74748618	488.603	JFURFUHXXLAOJQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-152951
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1c(cccc1)C#N	PC-id_74748894	488.603	FFPMKYLLOBXOHI-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-152952
S(=O)(=O)(N1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(cc1)C#N	PC-id_41134588	488.603	JFURFUHXXLAOJQ-AWEZNQCLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-152953
S(=O)(=O)(N1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(cc1)C#N	PC-id_41134591	488.603	JFURFUHXXLAOJQ-CQSZACIVSA-O	00000010100010110001000010000000000000000000000000000000	25-01-152954
S(=O)(=O)(N1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1c(cccc1)C#N	PC-id_41139214	488.603	FFPMKYLLOBXOHI-AWEZNQCLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-152955
S(=O)(=O)(N1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCC2)c1C(=O)N)c1c(cccc1)C#N	PC-id_41139216	488.603	FFPMKYLLOBXOHI-CQSZACIVSA-O	00000010100010110001000010000000000000000000000000000000	25-01-152956
c1(NC(=O)CN2CCN(CC2)c2nc(C)c(c(=O)[nH]2)Cc2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_322525795,MCULE-3367341307	488.605	IESUQDBUZZOYIA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-152957
O=C(c1sc2c(c1)CC(C2)(C)C)Nc1cccc(c1C)c1n[nH]c(=O)c(c1)Nc1cc(n(n1)C)C	PC-id_58540040,SCHEMBL2490504	488.605	HLYYNXQIBSEIPQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-152958
CN(CC1CCCCC1(O)c1cccc(c1)OC(=O)C1CCn2c1ccc2C(c1ccccc1)O)C	PC-id_141996256	488.618	KYRJPBVCKIEPRQ-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-152959
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1)C(=O)OC	PC-id_4923284	488.62	RMPFONRUCYNEAZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152960
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1)C(=O)OCC	PC-id_4934705	488.62	DYZXCJQGLHLQNV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152961
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCC(CC2)N(C)C)sc2CCCc2c1C#N	EMOLS-id_333770836,MCULE-9931244100	488.623	HPCGIMHCZNVLAH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152962
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-9637987313,EMOLS-id_331791291	488.623	UGEALDVLRYDRBB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152963
CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-4738786062,EMOLS-id_321727030	488.623	UDWRTRBXUYTDQR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152964
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)NCCc1ccccc1	PC-id_89238263,SCHEMBL14056982	488.623	OXQDGLVRJHRTHV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-152965
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)S(=O)(=O)C=Cc1ccccc1	MCULE-7629220951,PC-id_72064228	488.623	QJPUQWOZZHQYIV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152966
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC1)S(=O)(=O)/C=Cc1ccccc1	CoCoCo_4225707	488.623	QJPUQWOZZHQYIV-IZNAZMGOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152967
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	CoCoCo_4225706,ZINC22_13163983,PC-id_25731189	488.623	QJPUQWOZZHQYIV-KMPOOHAWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152968
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	CoCoCo_4225709,CoCoCo_4225708,PC-id_25731187,ZINC22_13163982	488.623	QJPUQWOZZHQYIV-AAGJOFLKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152969
COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-3065720221,EMOLS-id_321741375	488.623	RSXWCECVSISWJW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152970
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCC2)c1C#N)c1ccc(OCC)cc1	PC-id_24588819	488.623	TXOZNDWZUMIUNR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152971
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)/C=C/c1ccccc1	PC-id_16312064	488.623	QJPUQWOZZHQYIV-XNTDXEJSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152972
c1(NC(=O)C=Cc2ccc(cc2)OCCCCC)sc2c(CCC2)c1C(=O)NCc1ccccc1	PC-id_72177095,MCULE-5103045318	488.641	FPPJEKKPKNMICM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152973
CCCCCOc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2	CoCoCo_6805684	488.641	FPPJEKKPKNMICM-SDXDJHTJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152974
CCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCC3)cc1	PC-id_17371523,ZINC22_20562966,TIMTEC152332,CoCoCo_6805683,EMOLS-id_46453386	488.641	FPPJEKKPKNMICM-OBGWFSINSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152975
CCCCC(CC)n1c2c(CC(S2)C(=O)Nc2cc(c(cc2)C(=O)NCCOC)OC)c(n1)C	SCHEMBL14781929,PC-id_89442211	488.643	QURMNWCGTDWHJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152976
COCC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)Oc1ccccc1	SCHEMBL19537517	488.643	GGOYRWMSVNHXRK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-152977
s1c2c(CCC2)c(c1NC(=O)CCN(C1C(N(CCCC)C(=O)NC1=O)N)CCC(C)C)C#N	PC-id_76298967	488.646	PGBVLAZKZHCONE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152978
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC=C)C(=O)OC	PC-id_19718726	488.646	LPZVJDYFHXXPHM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-152979
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC=C)C(=O)OC	PC-id_19721024	488.646	MSQDPLBDEXHDBU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-152980
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC=C)C(=O)OCC	PC-id_19717851	488.646	OPKQXRRELUZMED-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-152981
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC=C)C(=O)OCC	PC-id_17303790	488.646	HHCTZJREIBWTDV-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-152982
COc1cccc(S(=O)(=O)NC2=NCCN2C(=S)SN2CCn3c2nsc3=S)c1	NSC736066,CHEMBL210949,PC-id_24205511	488.651	QLBZXUCFNVCARB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152983
COc1ccc(S(=O)(=O)NC2=NCCN2C(=S)SN2CCn3c2nsc3=S)cc1	PC-id_24205067,NSC734149,CHEMBL208987	488.651	WAGGPKJMAYNWJX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-152984
OCC1Cc2c(S1)c(nn2C(=O)c1c(Cl)cccc1C(F)(F)F)I	PC-id_117828627,SCHEMBL16408716	488.651	PSECNYHNESDKQF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-152985
c1(NC(=S)NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-8508890591,PC-id_19188730	488.663	QNJCBJOCKHJPPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152986
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCCCCCC)cc1)C(=O)OCC	PC-id_4950891	488.663	GJXGZSBAQHVEOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152987
s1c2c(CCC2)c(c1NC(=S)NC(=O)C(CCCOc1c(ccc(c1)C)C)(C)C)C(=O)OC	PC-id_54783991	488.663	JHBAIBMFRODKDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152988
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331789753,MCULE-2164044042	488.666	RNCWNMRHTHTTHL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152989
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331791290,MCULE-4680722907	488.666	VGKVQIHDPRAYKT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152990
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCN(CC)CC)sc2CCCc2c1C#N	MCULE-7701811617,EMOLS-id_331790008	488.666	JRINTXINISKHSQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-152991
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC=C)C(=O)OCC	PC-id_17304029	488.666	ONQMWWYBAZNBRP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152992
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC=C)C(=O)OC	PC-id_20125985	488.666	TVGAUNBRQYHEHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-152993
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)c(n(c2)S(=O)(=O)c1ccc(cc1)C)[Si](C)(C)C	PC-id_102109291	488.695	NFTAWRBJLKWZQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152994
Clc1cc(NC(=O)c2n3c(CCC3)c(c2NC(=O)Nc2ccc(Cl)cc2)C#N)cc(Cl)c1	PC-id_77461193	488.754	YEMWFFJKUYILJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-152995
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F	PC-id_90954960	488.848	JNRPPABCRDLABW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-152996
Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(Cl)c(F)cc1F	PC-id_134285222,SCHEMBL19900936,BindingDB-id_799397	488.874	NBUQBBPHEXECBS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152997
Cc1c(C(=O)C(=O)NC2(CC2)c2cn[nH]n2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1F	SCHEMBL19900907,BindingDB-id_987333,PC-id_134285196	488.874	AAKIXWUZYPGYMD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152998
Cc1cn2CC(C(c2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)C(=O)Nc1cc(c(cc1)F)Cl)F	PC-id_134586637,SCHEMBL20238970	488.874	KCPDHCQRXZGPSF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-152999
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)F)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134586603,SCHEMBL20238933	488.874	JPFXDDPHKHLHFN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153000
Cc1c(n2C[C@H](Cc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)F)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302800,SCHEMBL19920511	488.874	JPFXDDPHKHLHFN-NSHDSACASA-N	00100010100000110001100010000000000000000000000000000000	25-01-153001
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nc1)F)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920512,PC-id_134302801	488.874	JPFXDDPHKHLHFN-LLVKDONJSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153002
O=C([C@@H]1C(F)Cn2c1c(c(c2)C)C(=O)C(=O)NC1(CC1)c1cn[nH]n1)Nc1ccc(c(c1)Cl)F	PC-id_140877015	488.874	KCPDHCQRXZGPSF-FBMWCMRBSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153003
Clc1c(cc(NC(=O)CN(CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1)C(F)(F)F	PC-id_27245063	488.911	XHQBQIVXDPHKJO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153004
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2ccc(n3c(=O)cccc3)cc2)cc1	PC-id_73225261	488.926	MJTPJNUXJVEKRH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-153005
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2ccc(n3c(=O)cccc3)cc2)cc1	PC-id_16042757,SCHEMBL4599259	488.926	MJTPJNUXJVEKRH-HSZRJFAPSA-N	00000010100000111001100010000000000000000000000000000000	25-01-153006
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N(C)N)/N)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134303026,SCHEMBL19920746	488.942	NNIPCTNJBVAMCQ-BOPFTXTBSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153007
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NNC)/N)C(=O)Nc1cc(cc(c1)Cl)F	PC-id_134303033,SCHEMBL19920753	488.942	TTYQWTORMKBXKU-BOPFTXTBSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153008
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-6593675008	488.945	VWMHOBWEZMUUGI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153009
[O-][N+](=O)c1cc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)ccc1Cl	EMOLS-id_324831990	488.945	VWMHOBWEZMUUGI-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153010
Clc1cc(NC(=O)CC2Sc3n(nc(n3)COc3ccc(C(C)(C)C)cc3)C2=O)ccc1F	PC-id_46872245	488.962	JJLVSQAAOXRLHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153011
CCOC(=O)c1cnn(c1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1cccc(Cl)c1	EMOLS-id_328223612,MCULE-4194148641	488.965	IGTZWTGZGJHISR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153012
CCOC(=O)c1cnn(c1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(Cl)cc1	EMOLS-id_328223868,MCULE-8452785620	488.965	OJIVGOUZPAVMMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153013
Clc1ccc(C2CCN(CC2)C(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5545186,PC-id_69481975	488.967	XOCSIHMGQBBGND-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153014
Clc1ccc(cc1)C1CCN(CC1)C(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_139991187	488.967	XOCSIHMGQBBGND-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153015
Clc1ccc(cc1)C(=O)N1CCC(CC1)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69480460,SCHEMBL5539135	488.967	WXSMDGXYRFUMLY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153016
Clc1ccc(cc1)C(=O)N1CCC(CC1)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5539131,PC-id_69480459	488.967	WXSMDGXYRFUMLY-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153017
Clc1ccc(cc1)C(=O)N1CCN(CC1)C1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481647,SCHEMBL5543728	488.967	YPWXKLPKHLFODD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153018
Clc1ccc(cc1)C(=O)N1CCN(CC1)C1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5543718,PC-id_69481644	488.967	YPWXKLPKHLFODD-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153019
c1(NC(=O)c2[nH]nc(c3cc(Cl)ccc3O)c2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_135785301,MCULE-4819219174	488.987	WKAYQAMMZODAKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153020
ClC1=CC(=C2NNC(C2)C(=O)Nc2sc3c(CCC3)c2C(=O)NCC2OCCC2)C(=O)C=C1	PC-id_73537651	488.987	UORLMXDOPMGABL-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-153021
ClC1=C/C(=C/NNC(=C2)C(=O)Nc2sc3c(CCC3)c2C(=O)NCCCOCC)/C(=O)C=C1	PC-id_19131014	488.987	HGKOINXWJMYLNU-NXVVXOECSA-N	00000011100011000001100010000000000000000000000000000000	25-01-153022
Clc1ccc(c2sc(CN3CCN(C[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)c(n2)C)cc1	PC-id_69482883,SCHEMBL5547494	488.99	FRQLRTYKTDDCJC-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153023
Clc1ccc(c2sc(CN3CCN(CC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)c(n2)C)cc1	PC-id_69482885,SCHEMBL5547497	488.99	FRQLRTYKTDDCJC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153024
CC(C)Cc1ccc(C(C)C(=O)Nc2c(C#N)c3n(c2C(=O)Nc2ccc(Cl)cc2)CCC3)cc1	CHEMBL574244,PC-id_45112545	489.008	QLBJAGVFAJNROV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153025
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cccc1	PC-id_19728269	489.01	RFRDEXIFSJYACN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153026
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)ccc1	PC-id_19728571	489.01	MJIGQSDRILCKKU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153027
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_19728747	489.01	JTRMXAUSQSBMHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153028
Cc1cc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc(C)c1Cl	MCULE-4780424297,EMOLS-id_335749073	489.013	UCPCNTMKQVAUQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153029
n1(N)c(CCCOc2ccccc2Cl)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	MCULE-4260438547,EMOLS-id_335749085	489.013	GUDRNCKHMMGXTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153030
n1(N)c(CCCOc2ccc(Cl)cc2)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	MCULE-2043910828,EMOLS-id_335753177	489.013	YNHGGPBAIRHTPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153031
CC1(C2=C(CN1CC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)C(=NN2)I)C	PC-id_154929989	489.014	CKHVLCRNNIMXOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153032
Clc1sc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_44005119	489.028	ZPANECNLGXLKHX-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153033
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_41100113	489.028	VRGRYGXEXYMADS-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-153034
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_44027741	489.028	KDHOCJWQOJNECB-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-153035
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=C(C(=C3)F)F)F	PC-id_155278746	489.035	WWCYFFXWAIDAPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153038
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)NC3=CC(=C(C(=C3)F)F)F	PC-id_155278730	489.035	WWCYFFXWAIDAPY-SSDOTTSWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153039
Ic1n2C(C(C(O)(c2cc1I)C(=O)OC)C(=O)C)C	PC-id_78141194	489.045	DBQGFTZLLOOSBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153040
Ic1n2[C@@H]([C@H]([C@@](O)(c2cc1I)C(=O)OC)C(=O)C)C	PC-id_71658166	489.045	DBQGFTZLLOOSBI-PAWACCKXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153041
Clc1ccc(cc1)OC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140817041	489.082	RBNXMWDOVYDMNF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153042
Clc1cccc(c1)OC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140817099	489.082	UVBYAUXSJDHNBO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153043
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(Oc1ccccc1Cl)C	PC-id_140817070	489.082	UUSINTFLXKYXPN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153044
CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)CC(=O)C4CCCCC4C(=O)O	PC-id_160235591	489.128	PKYVFCWKNCWMCJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153045
CN(C)C(C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N)N	PC-id_155097821	489.142	HHKWHEYOPLSUIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153046
c1(NC(=O)COc2ccc(cc2Br)Br)sc2c(CCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL2798-1110,MCULE-5249811496,EMOLS-id_603565,SPECS-id_AT-225/NB59924,CoCoCo_1708530,TIMTEC444613,SPECS-id_AF-399/13428277,PC-id_978525,ZINC22_622365	489.178	SDUHHGQCRRDWPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153047
C1CN(CCC1OCC2=CC=C(C=C2)OC(F)(F)F)C3=CC=C(C=C3)OCC4CN5C=CN=C5O4	PC-id_161631814	489.188	WXHDREBDTRXHDP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153048
CCCCCCCCN1Cc2c(C1)c(sc2I)I	PC-id_101521116	489.197	LWZRKYFOOVTOFN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153049
CC1(C2=C(CN1C(=O)NC(CO)C3=C(C=CCC3)F)C(=NN2)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_149052007	489.257	QJZSNNPKCWPBSN-UHFFFAOYSA-N	00001010100011000001000010000000000000000000000000000000	25-01-153050
CCCCC([Sn]C1=Cn2c(S1=S(=O)=O)cnc2)(CCCC)CCCC	PC-id_141019162	489.274	SIYRITSYDRPGRC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-153051
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC(=C5C)C#N	PC-id_149671591	489.274	ANHILLATQOCWMN-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153052
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O)C	MCULE-8640864135	489.318	TZGYMUVFIFKFFW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153053
Clc1c(=O)n(ncc1Cl)c1c(C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)cccc1	PC-id_24522923	489.331	AXBJWBKHTQAEEE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153054
Brc1ccc(c2n[nH]c(c2)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_35281293	489.342	PZPFGAWTUAAXRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153055
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNNN1)C(=O)Nc1cc(cc(c1)Cl)Cl	SCHEMBL19920758,PC-id_134303038	489.354	VXWDSCQFSKTDJJ-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-153056
OC[C@@H]1[C@@H](C)n2c([C@@]1(O)C(Cl)(Cl)Cl)cc(c2Br)I	PC-id_102046436	489.359	SFHSPPZFRFSUPF-UDJQAZALSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153057
Brc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc1	PC-id_44053690	489.361	JNMRTVKXRDNVTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153058
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)ccc1	PC-id_44053689	489.361	QLBUEDLSGCEJOS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153059
Brc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cccc1	PC-id_44053688	489.361	JPNCRJRXLHDWEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153060
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)CCC	MCULE-7071731189	489.374	NMYXNXSZMXAZEV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153061
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1Cc1ccc(cc1)Br	MCULE-2488758225,EMOLS-id_335757013	489.412	YXDJRZKHOIILIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153062
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_18848624,MCULE-4384672806	489.414	WJPKOTDJJDJOIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153063
c1(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8597954927,EMOLS-id_334330542	489.414	YSLOMPUZYALPSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153064
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331048,MCULE-4229329383	489.414	LPXACGKYCCBOKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153065
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329512,MCULE-7664944252	489.414	MKAKCJOVARXHRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153066
CCN(CC)c1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1	EMOLS-id_324911626	489.417	QYNWWZLRLLBGSC-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153067
n12c(=O)c(=Cc3ccc(cc3)N(CC)CC)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-1317186137	489.417	QYNWWZLRLLBGSC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153068
CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C	PC-id_25158851,BindingDB_PC-id_25158851,SCHEMBL3326180,BindingDB-id_546118	489.442	LKQQDFRBWPNRJF-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153069
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=N)OC(=N)C)C(=O)Nc1cc(c(c(c1)F)F)F	SCHEMBL19920577,PC-id_134302865	489.447	KJTGEDNWXHZBEL-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153070
s1c2c(CCC2)c(c1NC(=O)Cn1nc(oc1=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1)C(=O)N	PC-id_3785423	489.459	DJZWSSLPGOSJMW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153071
Cc1cccc(c1)C[N+]1(O)CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	PC-id_145296915	489.467	PANJNCXFZFQKLX-NENZQZOMSA-O	00000010100000110001000010000000000000000000000000000000	25-01-153072
Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1nncs1	SCHEMBL21378270,PC-id_139507409,BindingDB-id_980732	489.47	WJPFOJIHMUNDTK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153073
FC(Oc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)ccn2)(F)F	PC-id_143526036	489.487	HQFMACAWNVLNDW-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-153074
COc1ccccc1NC(=O)Nc1n[nH]c2c1CNC2NC(=O)Cc1ccc(cc1)N1CCCC1=O	PC-id_90898880	489.526	DNXJVPQLRJDNIV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153093
N/C=C(/C1(NC(=O)C(=O)c2c(C)c(n3c2CC(C3)C)C(=O)Nc2ccc(cc2)F)CC(C1)(F)F)N	PC-id_142295123	489.49	KXQKEBVZKGXXOP-IUXPMGMMSA-N	00001010100000110000000010000000000000000000000000000000	25-01-153075
CN(CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1ccnc(n1)C(F)(F)F)C	SCHEMBL1942410,PC-id_67220244	489.493	DCOUJDXTRUZIAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153076
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ccnc(n3)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1	BindingDB_PC-id_59474204,SCHEMBL1942407,BindingDB-id_218966,PC-id_59474204	489.493	DCOUJDXTRUZIAV-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153077
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N2CCOCC2)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_24373704	489.498	TWKLWCTUAFJEQW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153078
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_55928668	489.498	GLXLVINYALBOAY-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153079
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1cc([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_76270640	489.498	GLXLVINYALBOAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153080
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-8712573886	489.503	GDAMFOHELWXKLO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153081
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)cc1	EMOLS-id_321805950	489.503	GDAMFOHELWXKLO-DHZHZOJOSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153082
Fc1cccc(c1)c1ccc(cc1C(=O)N1Cc2c(C1)cn(n2)CC1CC(C1)(F)F)S(=O)(=O)C	SCHEMBL17214052,PC-id_118479205	489.51	GEZNPJCOOYNGQE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-153083
Brc1oc2N(C(Sc2c1)C/C=C(/CC1SC(=S)N(C1=O)C)C)CCCCC	PC-id_59893235	489.513	QFISINBJJMRSFN-KPKJPENVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-153084
Brc1oc2N(C(Sc2c1)CC=C(CC1SC(=S)N(C1=O)C)C)CCCCC	PC-id_72589677	489.513	QFISINBJJMRSFN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-153085
O=C(C1CCn2c1ccc2C(=O)c1ccccc1)Oc1ccc(cc1)C(=O)OCC1COC(O1)(C)C	SCHEMBL16756640,PC-id_118108710	489.516	GICFYVVSTHWDRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153086
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	PC-id_41733167	489.517	PMKQYBPXCURFON-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153087
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-5998036883	489.518	SDLFKHPTQVMUKF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-153088
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccc(cc1)C(C)(OC)OC)C(=O)O	PC-id_89437199	489.522	SQKVTGWMPNBFFI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153089
COC(c1ccc(cc1)COC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])(OC)C	PC-id_23081520,SCHEMBL5544516	489.522	PMPRGJBMCLFICI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153090
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(nnc2)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_14124256	489.525	XTNLVPDJPWMNQU-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-153091
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1Cn2c(nnc2)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_57236531	489.525	XTNLVPDJPWMNQU-AVWNITOVSA-N	00001011100000110001001010000000000000000000000000000000	25-01-153092
COc1ccccc1NC(=O)NN1Cc2c(C1)[nH]nc2N(c1ccc(cc1)N1CCCC1=O)C(=O)C	SCHEMBL7172622,PC-id_70011935	489.526	XUNXHWUNYCFBOI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153094
COc1ccccc1NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)Cc1ccc(cc1)N1CCCC1=O	PC-id_68442723,SCHEMBL2924190	489.526	LEIXDTVEJIKHTC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153095
CCOC(=O)c1c(NC(=O)COC(=O)C=Cc2cc(OC)c(cc2OC)OC)sc2c1CCC2	PC-id_71953232,MCULE-4429016465,EMOLS-id_43783420	489.538	XVDRZDJNSFXSEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153096
CCOC(=O)c1c(NC(=O)COC(=O)/C=Cc2cc(OC)c(cc2OC)OC)sc2c1CCC2	PC-id_97424153	489.538	XVDRZDJNSFXSEU-KTKRTIGZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153097
CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)cc2OC)sc2c1CCC2	PC-id_29459211,ZINC22_21367634	489.538	XVDRZDJNSFXSEU-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153098
CN(Cc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	PC-id_67009736,SCHEMBL1372990	489.538	BQCSAJLSXWYPNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153099
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_4241060	489.538	SNOMWCZAWRZEGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153100
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_6046063	489.538	SNOMWCZAWRZEGR-MDZDMXLPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153101
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(N)cc(N(C)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524033	489.538	VQCNVJWDIBMPSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153102
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc(nc1C)COc1ccc(F)cc1)C(=O)N	PC-id_30294194	489.54	QTSFFOSJYBHQQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153103
CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1OCC	EMOLS-id_3158936,MCULE-8983313931,CoCoCo_2950704,PC-id_3913466,ZINC22_21548888	489.541	QKDHPCSTMCJSRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153104
COc1cc(NC(=O)C(C)C)c(cc1OC)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	GD-id_ZINC09922454,PC-id_45664046	489.541	HUXRZUJKZXIGDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153105
c12c(CCC1C(=O)NCCn1c(=O)ccc(c3ccco3)n1)sc(NC(=O)c1ccc(cc1)C)n2	PC-id_45503592,MCULE-8348770009,EMOLS-id_29779618	489.546	NRPLNRBIDUDRGU-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-153106
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCCn2nc(c3ccco3)ccc2=O)cc1	PC-id_51868350,ZINC22_36709199,CoCoCo_5284863	489.546	NRPLNRBIDUDRGU-KRWDZBQOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-153107
Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCCn2nc(c3ccco3)ccc2=O)cc1	PC-id_51868351,CoCoCo_5284862,ZINC22_36709201	489.546	NRPLNRBIDUDRGU-QGZVFWFLSA-N	00000010101000110001100010000000000000000000000000000000	25-01-153108
S1Cc2c(nn(c2NC(=O)c2noc(c2)c2ccccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053606	489.546	RATGVRBAHMHHLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153109
S(=O)(=O)(NCCN(c1cc(c(/N=C/2c3n(N=C2C(=O)O)c(nn3)C(=O)C(C)C)cc1)C)CC)C	PC-id_20589164	489.548	HRYROFWUJJQNOF-KQWNVCNZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-153110
S(=O)(=O)(c1c(N/N=C/C(=Nn3c2nnc3C)C(C)(C)C)n(nc1)c1ncccc1)c1ccccc1	PC-id_59702952	489.553	MITAHTFKWKBYTD-DIBXZPPDSA-N	00000011100000111001100010000000000000000000000000000000	25-01-153111
S(=O)(=O)(c1c(NN=C2C(=Nn3c2nnc3C)C(C)(C)C)n(nc1)c1ncccc1)c1ccccc1	PC-id_71096439	489.553	MITAHTFKWKBYTD-UHFFFAOYSA-N	00000011100000111001100010000000000000000000000000000000	25-01-153112
S(=O)(=O)(c1c(N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)n(nc1)c1ncccc1)c1ccccc1	PC-id_59702945	489.553	XYOTYEJVRSDZKV-DIBXZPPDSA-N	00000011100000111001100010000000000000000000000000000000	25-01-153113
S(=O)(=O)(c1c(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)n(nc1)c1ncccc1)c1ccccc1	PC-id_71096442	489.553	XYOTYEJVRSDZKV-UHFFFAOYSA-N	00000011100000111001100010000000000000000000000000000000	25-01-153114
CN(CC(C1CCCCC1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F)C	PC-id_66941360,SCHEMBL1205167	489.558	HPDCBBSOTQDTQZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153115
CN(C[C@H](C1CCCCC1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F)C	SCHEMBL1205163,PC-id_58015618	489.558	HPDCBBSOTQDTQZ-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153116
c1(NC(=O)c2cc(on2)c2ccc(c(F)c2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	CoCoCo_2261515,ZINC22_11915644,PC-id_16455041,TIMTEC554944,MCULE-3156500186,EMOLS-id_9870343	489.561	XQUYLXMGUAFKAB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153117
c1(NC(=O)CSc2nnc(COc3ccc(cc3)OC)o2)sc2c(CCC2)c1C(=O)OCC	ZINC22_15303710,TIMTEC508161,CoCoCo_6268225,PC-id_16431805,MCULE-1607520770,EMOLS-id_9819577	489.565	VQPNRZJVJOQLFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153118
CCOC(=O)c1c(NC(=O)CSc2nnc(c3ccc(OC)c(OC)c3)o2)sc2c1CCC2	CoCoCo_3012980,ZINC22_8924692,PC-id_4414632,MCULE-9177627657,EMOLS-id_43755405	489.565	YCIHHWFZUTYKAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153119
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)C1C(=[N+](C(=O)N(C1=O)C)C)N	PC-id_77669917	489.565	YETIUFYJVQHLCV-UHFFFAOYSA-O	00000010100011000001000010000000000000000000000000000000	25-01-153120
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_4196509	489.565	YIJOAEYHMKPCKQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153121
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)cccc1OC)C(=O)OCC	PC-id_3433755	489.565	JGXPRXURDUJLEC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153122
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_4621784	489.565	METFIRIWEPITTM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153123
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(c(cc1)C)C)C(=O)OCC	PC-id_5222881	489.565	VILNSKJULHGSGX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153124
S(=O)(=O)(N1CCOCC1)c1cc(c(cc1)C)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16528795	489.565	BGJGDUWEXCDSIQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153125
S(=O)(=O)(N1CCOCC1)c1c(ccc(c1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N)C	PC-id_16528883	489.565	PFPRDRXERLXHJX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153126
s1c(O)c2C[N+]([O-])(CP(=O)(O)CC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC)Cc2c1	PC-id_19837904	489.566	NCQXYEFWAXUMPS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153127
s1c(O)c2C[N+]([O-])(CP(=O)(O)CC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC)Cc2c1	PC-id_18636027	489.566	NCQXYEFWAXUMPS-NFUMSIQGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153128
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c2CSCc2nn1CC(=O)NCc1ccco1	EMOLS-id_24913427,MCULE-8509517949,CoCoCo_5277700,ZINC22_23139318,PC-id_30862590	489.568	CNMUXSFZGWQMDG-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-153129
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661488,PC-id_3243164,BindingDB_PC-id_3243164,EMOLS-id_2709997,MCULE-1889891715,BindingDB-id_75269,ChEMBL-DNDi_CHEMBL1564026,CHEMBL1564026	489.568	IJVNRDGFIICBFC-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-153130
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC(=O)N)c(nn1)c1occc1)C(=O)OCC	PC-id_33223360	489.568	AIRCNSADGRIXQZ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-153131
CC(c1ccc(cc1)N1CCCC1)C(=O)Nc1n[nH]c2c1CN(C2)N(c1ccccc1OC)C(=O)N	PC-id_91076020	489.569	OUBKFLFGWMYNNP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153132
COc1ccccc1NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)C(c1ccc(cc1)N1CCCC1)C	PC-id_68439787,SCHEMBL2915963	489.569	RCCCVPCWKMEHGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153133
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2C[C@@H]2c2ccccc2)nc(n1)N1CCCC1	SCHEMBL12143752,PC-id_59474234	489.573	SVSZIXFDZFDSAL-PYUWXLGESA-N	00100010100000110001100010000000000000000000000000000000	25-01-153134
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@H]2C[C@@H]2c2ccccc2)nc(n1)N1CCCC1	SCHEMBL15247489	489.573	SVSZIXFDZFDSAL-AEFFLSMTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153135
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)nc(n1)N1CCCC1	SCHEMBL1942201,PC-id_67220170	489.573	SVSZIXFDZFDSAL-FUHWJXTLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153136
COc1nc(Nc2n[nH]c3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CCCC1	PC-id_89796598,BindingDB_PC-id_67007714,BindingDB-id_218909,SCHEMBL1367672	489.573	SVSZIXFDZFDSAL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153137
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccsc1)C(CC2C(=O)OC)C(=O)c1cccs1	PC-id_70450285,SCHEMBL10816867	489.584	PDEHMYQERBAYRZ-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153138
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccsc1)CCC2(C(=O)OC)C(=O)c1ccsc1	PC-id_70450286,SCHEMBL10816869	489.584	CCTBZTLXIZCZMT-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153139
C=CCS(=O)(=O)c1cc2n(c1C(=O)c1ccsc1)CC(C2(C(=O)O)C(=O)c1ccsc1)C	PC-id_70481539,SCHEMBL10963073	489.584	MZOCBVHDJUEYSN-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153140
C=CCS(=O)(=O)c1cn2c(c1)C(C(C2)C)(C(=O)O)C(=O)c1csc(c1)C(=O)c1ccsc1	PC-id_70481541,SCHEMBL10963077	489.584	KUJPURFBWLDJDV-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153141
C=CCS(=O)(=O)c1cn2c(c1)C(CC2)(C(=O)OC)C(=O)c1csc(c1)C(=O)c1ccsc1	SCHEMBL10816874,PC-id_70450287	489.584	JGNXQWYRYJGIRK-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153142
C=CCS(=O)(=O)c1sccc1C(=O)c1cc2n(c1C(=O)c1cscc1)CCC2C(=O)OC	SCHEMBL10816861,PC-id_70450283	489.584	DXCCJQYSMCVDRE-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153143
c1(NC(=O)c2ccccc2NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2459973468,EMOLS-id_334336417	489.586	GJNDGRVSDWAROJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153144
N#Cc1c(NC(=O)CSc2nnc(c3ccccc3F)n2Cc2ccccc2)sc2c1CCC2	EMOLS-id_11757420,MCULE-4721727579,ZINC22_9793143,PC-id_16323547,CoCoCo_3632495	489.588	ZSIRKSLGCVZODL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153145
N#Cc1c(NC(=O)CSc2nnc(Cc3ccccc3)n2c2ccc(F)cc2)sc2c1CCC2	PC-id_16323776,ZINC22_9793251,MCULE-2202953454,CoCoCo_3645864,EMOLS-id_11757736	489.588	FLLHTVJJGPRLNF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153146
s1c2CCCc2c(c1NC(=O)CSc1n(Cc2ccccc2)c(nn1)c1ccc(F)cc1)C#N	PC-id_24521178	489.588	BKUWXBBUZWDRAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153147
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-2174438097,EMOLS-id_321901309	489.589	UHHMGSOEBUKILH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153148
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)CCCC)sc2c(CCC2)c1C#N	MCULE-3337335255,EMOLS-id_321903099	489.589	VCKJIWGMCMLUAD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153149
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C(C)CC)sc2c(CCC2)c1C#N	MCULE-4550605420,EMOLS-id_321901823	489.589	DJGLFSWDAQUVIK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153150
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-8450586929,EMOLS-id_331930906	489.589	QHEFJGJCRFNODC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153151
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-2179490609,EMOLS-id_331920926	489.589	ZGRZKBWGATUOCJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153152
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331927065,MCULE-8542046843	489.589	VAXBMBLTLKVORK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153153
CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCOC)C[C@@H]2C)C3(C)C)n1	BindingDB-id_546048,SCHEMBL7014416,PC-id_59333931,BindingDB_PC-id_59333931	489.589	JSUITLPZGQHXBK-CABCVRRESA-N	00000010100010100001000010000000000000000000000000000000	25-01-153154
COCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(N)nc(c1F)CC	SCHEMBL3323129,PC-id_68595591	489.589	FWVFBJUXFIQSLQ-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153155
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(cc3)C)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053450	489.589	SERKIAGJJKOARQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153156
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccccc3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053878	489.589	ASNXBDYTCTWYFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153157
CSC(=NOC(=O)N(SN(C(=O)ON=C1n2ccnc2SC1(C)C)C)C)C(=O)N(C)C	SCHEMBL11188037,PC-id_54530728	489.593	YWIFHXWJSKSBLD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-153158
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	MCULE-3694871386,EMOLS-id_328217727	489.606	SPZYYCLMYZTJED-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153159
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331791025,MCULE-5885729710	489.608	CEMRIRIWFFGBJJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153160
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCC1CCOCC1	SCHEMBL14057540,PC-id_89238735	489.608	CALJLTGULLJGRG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153161
CCOc1cc(ccc1OCC)NC(=O)C[N@@H+]([C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)C	GD-id_ZINC24283998	489.608	URTOVLYXFPPRPB-AWEZNQCLSA-O	00000010100000110000000010000000000000000000000000000000	25-01-153162
COc1ccc(c(c1)OC)NC(=O)c1c(NC(=O)C[NH2+]CCN2CCOCC2)sc2c1CCC2	GD-id_ZINC22938802,PC-id_51628830	489.608	RODUTGPBMJWVKJ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-153163
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnc(n1c1ccc(cc1)F)[C@H]([NH+](C)C)C	GD-id_ZINC09512641,PC-id_41103048	489.609	ZEYMZCMPOYSCRQ-GFCCVEGCSA-O	00000010100000110001100010000000000000000000000000000000	25-01-153164
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)[C@@H]([NH+](C)C)C)c1ccc(F)cc1)C(=O)N	PC-id_41103045	489.609	ZEYMZCMPOYSCRQ-LBPRGKRZSA-O	00000010100000110001100010000000000000000000000000000000	25-01-153165
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C([NH+](C)C)C)c1ccc(F)cc1)C(=O)N	PC-id_74746966	489.609	ZEYMZCMPOYSCRQ-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-153166
c1(NC(=O)CSc2nnc(Cc3ccccc3)n2c2ccccc2)sc2c(CCC2)c1C(=O)N	EMOLS-id_6512475,MCULE-3895337079,ASN-03940050,ZINC22_6446358,PC-id_3181035	489.612	DMWWBRGJLSPTIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153167
CCCCCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_45964953,ZINC22_97946718	489.629	OJBCKGICCCVUSF-OXGSWZRFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153168
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCCCC)c2=O)C=Cc1ccccc1	MCULE-5343780859	489.629	OJBCKGICCCVUSF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153169
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_22198278	489.629	VICVCGYLMHLIBN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153170
s1c2c(CCC2)c(c1NC(=O)CCN1CC(CCC1)C(=O)NCCNC(=O)OC(C)(C)C)C#N	PC-id_56209228	489.631	RVTXVLQYWAGUTK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153171
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1C(F)(F)C	PC-id_140882975	489.633	RCLJLDVRMZGNPR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153172
NC(=O)c1c(NC(=O)CSc2nnc(c3cccs3)n2C[C@H]2CCCO2)sc2c1CCC2	CoCoCo_3018049,ZINC22_3421460,PC-id_2540710	489.634	RTWIIRJRIIURPH-GFCCVEGCSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153173
NC(=O)c1c(NC(=O)CSc2nnc(c3cccs3)n2C[C@@H]2CCCO2)sc2c1CCC2	PC-id_2540715,CoCoCo_3018048,GD-id_ZINC03421465,ZINC22_3421465	489.634	RTWIIRJRIIURPH-LBPRGKRZSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153174
O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nnc(n1CC1CCCO1)c1cccs1	MCULE-1195936688,PC-id_4881356,EMOLS-id_43757039	489.634	RTWIIRJRIIURPH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153175
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCCC)CCCC)sc2CCCc2c1C#N	EMOLS-id_333773651,MCULE-2511370373	489.651	UAUCZVOKRZAQKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153176
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331788474,MCULE-8123120745	489.651	CGAKCSACIVVYBB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153177
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCCCCO)sc2CCCc2c1C#N	MCULE-5954059629,EMOLS-id_331789247	489.651	QDGWBUIHNRIZQS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153178
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331790768,MCULE-7252871299	489.651	GXQGSYFUPXLSDL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153179
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331786943,MCULE-5689364327	489.651	SJBMWSONVOTEQM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153180
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-9578032912,EMOLS-id_331792313	489.651	ZEQZDTSNCRHVGA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153181
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331790781,MCULE-6698699644	489.651	HRBFAGXYFFNKTG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153182
O(CC(C(CC(C)(C)C)C)CCC(CC(C)(C)C)C)C(=O)COC(=O)c1c2n(NNN2)cc1[N+]#[C-]	PC-id_53831851	489.651	GDAHFRRJLKHZHV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-153183
s1c2c(CCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)NCCc1sccc1)C(=O)OCC	PC-id_56182495	489.651	QESHWQHDEFNZPP-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-153184
CNc1c(c2c(s1)CC[C@@H]2CCC(=O)N)C(=N)OC1CCC(CC1)N(C)CC(=O)N1CCCC1	PC-id_136447430	489.674	SPXIBFTUBHOILB-WWDZGPRUSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153185
CNc1sc2c(c1C(=N)O[C@@H]1CC[C@H](CC1)N(CC(=O)N1CCCC1)C)[C@H](CC2)CCC(=O)N	SCHEMBL10343893	489.674	SPXIBFTUBHOILB-KZNAEPCWSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153186
N#CC(=Cc1sc2c(c1)C(/C(=C/c1ccc(c(c1)C)C)/C/2=CNc1cc(C)c(c(c1)C)C)(C)C)C#N	PC-id_145410891	489.674	NWXSBRQZYZZTHU-HETDZVDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153187
s1c(/C=c/c(nn3c(nnc23)C(COC)(C)C)C(C)(C)C)ccc1N(CCOCCOC)CC	PC-id_58753037	489.674	UCNQJIJTXAUEEE-MNDPQUGUSA-N	00000000100100000001000010000000000000000000000000000000	25-01-153188
s1c(C=c2c(nn3c(nnc23)C(COC)(C)C)C(C)(C)C)ccc1N(CCOCCOC)CC	PC-id_72412885	489.674	UCNQJIJTXAUEEE-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-153189
CN1CCN(CC1)Cc1ccc(cc1)c1ccc(cc1)CC(NC(=O)[C@@]1(N)Cc2c(C1)ccs2)N	SCHEMBL12688052,PC-id_68353333	489.675	JRBRHFTUHGEHDC-RXBHZZDJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153190
s1c2CC(N)(Cc2cc1)C(=O)NC(N)Cc1ccc(c2ccc(CN3CCN(CC3)C)cc2)cc1	PC-id_77466527	489.675	JRBRHFTUHGEHDC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153191
Cc1c(C(=O)C(=O)NC(C)(CO)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	BindingDB-id_799432,SCHEMBL19920516,PC-id_134302805	489.848	NECWSEGWRSPEFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153192
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@](C)(CO)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134586581,SCHEMBL20238911	489.848	NECWSEGWRSPEFD-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153193
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nn1)C(=O)Nc1c(c(c(cc1)F)Cl)F	SCHEMBL20259504,PC-id_134604948	489.863	DVPXTNOMSMCUBZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153194
CCOC(=O)[C@@](C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1ccccc1Cl	PC-id_92214647,CoCoCo_1743934	489.896	XJKGAQZYFNGUAM-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-153195
CCOC(=O)[C@](C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCC2)NC(=O)c1ccccc1Cl	PC-id_92214648,CoCoCo_1743935	489.896	XJKGAQZYFNGUAM-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153196
CCOC(=O)C(NC(=O)c1ccccc1Cl)(Nc1sc2CCCc2c1C(=O)N)C(F)(F)F	PC-id_5322264,ChEMBL-DNDi_CHEMBL1575751,MCULE-2360879989,EMOLS-id_6867452,CHEMBL1575751	489.896	XJKGAQZYFNGUAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153197
CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C(=O)N)CCC2)C(F)(F)F	CoCoCo_1743932,ZINC22_4177318,PC-id_40477641	489.896	RHWZPBQQSXDQMI-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153198
CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C(=O)N)CCC2)C(F)(F)F	PC-id_40477640,CoCoCo_1743933,ZINC22_4177317	489.896	RHWZPBQQSXDQMI-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-153199
CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1sc2CCCc2c1C(=O)N)C(F)(F)F	CHEMBL1560589,TIMTEC425096,EMOLS-id_6772130,MCULE-6648354559,PC-id_3644443,ChEMBL-DNDi_CHEMBL1560589	489.896	RHWZPBQQSXDQMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153200
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)c([N+](=O)[O-])cc1	PC-id_44053703	489.907	PMPDUQAXQTXEDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153201
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc([N+](=O)[O-])cc1	PC-id_44053704	489.907	RMPYXDQTAKYCKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153202
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc1	PC-id_44053705	489.907	YRYDGNYKMHLDTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153203
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2ccc(n3c(=O)cncc3)cc2)cc1	PC-id_69108913,SCHEMBL4597813	489.914	YZSAUXFEESHQQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153204
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2ccc(n3c(=O)cncc3)cc2)cc1	SCHEMBL14097939,PC-id_16042758	489.914	YZSAUXFEESHQQE-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153205
CCOC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(CC)c2cccc(c2)Cl)sc2c1CCC2	EMOLS-id_43681190,MCULE-9546544530,PC-id_16272683	489.972	PJNJFWBJSVOBLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153206
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](CC)(c3cccc(Cl)c3)C2=O)sc2c1CCC2	ZINC22_8825683,CoCoCo_2794753,PC-id_40834554	489.972	PJNJFWBJSVOBLI-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153207
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](CC)(c3cccc(Cl)c3)C2=O)sc2c1CCC2	ZINC22_8825684,CoCoCo_2794754,PC-id_40834555	489.972	PJNJFWBJSVOBLI-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153208
Clc1ccc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)CC)cc1	PC-id_45607660	489.972	PSVDMCYNAYXHMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153209
Clc1ccc([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)CC)cc1	PC-id_51911862	489.972	PSVDMCYNAYXHMF-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153210
Clc1ccc([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)CC)cc1	PC-id_51911863	489.972	PSVDMCYNAYXHMF-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153211
COC(=O)c1c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	GD-id_ZINC20570002	489.972	XTDRMOVREDWQHX-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-153212
NC(=O)c1c(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)sc2c1CCC2	CoCoCo_3119150,MCULE-1568622506,PC-id_2085267,EMOLS-id_3252726,ZINC22_2623336	489.972	TYOMZNJNJPGQJD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153213
Clc1ccc(cc1)C(=O)c1c(NC(=O)Cn2nc(ccc2=O)c2ccccc2)sc2c1CCC2	PC-id_112845374	489.973	XJJQGGUFODQFNK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153214
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	PC-id_16947422	489.973	RVVZJOUVVXIFDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153215
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-5844145482	489.973	FTTQQEWTSQYYLQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-153216
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-8586138401	489.973	BPWUMACPNVJNEA-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-153217
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-5629962089	489.973	YAYBTXRJCHFQNX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-153218
CCOC(=O)c1c(NC(=O)CSc2nnc(c(n2)[O-])c2ccc(cc2)Cl)sc2c1CCC2	GD-id_ZINC27526207,PC-id_34883407	489.975	XVOSIJVEOJJIDE-UHFFFAOYSA-M	00000010100000110001100010000000000000000000000000000000	25-01-153219
Clc1cc(c2scc(n2)CC(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1	PC-id_24498694	489.995	UDTLMCOZSRXARJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153220
Clc1c(cc(S(=O)(=O)Nc2cc(ccc2)C)cc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_24634815	489.995	DGFBWSMSBZHUJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153221
Cc1csc2nc(Cl)c(/C=c/3sc4nc(nn4c3=O)C(c3ccccc3)c3ccccc3)n12	EMOLS-id_324824569	490	DOOWYHGLGMAWLO-PDGQHHTCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-153222
n12c(=O)c(=Cc3c(Cl)nc4scc(C)n34)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8934234792	490	DOOWYHGLGMAWLO-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-153223
Clc1cc(C(=O)N2CCN(CCC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_56067575	490.015	TUSMJZOTCZLUDF-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-153224
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)Nc2ccccc2Cl)CC1	CoCoCo_4230282,CoCoCo_4230281,ZINC22_22787920,PC-id_30624809	490.018	WXRKGJCHJRKMRG-AWEZNQCLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153225
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(CC(=O)Nc2ccccc2Cl)CC1	ZINC22_22787926,PC-id_30624815,CoCoCo_4230283,CoCoCo_4230284	490.018	WXRKGJCHJRKMRG-CQSZACIVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153226
Clc1c(NC(=O)CN2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_16373654,MCULE-4326731204,EMOLS-id_43982576	490.018	WXRKGJCHJRKMRG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153227
CC1(c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL19767351,PC-id_134167011	490.038	SOECAZZSNVRSIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153228
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)C(N(C2)Cc1ccc(cc1)Cl)C	SCHEMBL19771910,PC-id_134170743	490.038	CWBBNBXIURARFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153229
COc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Cl	PC-id_140882958	490.07	FSHVISUXXPIAON-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153230
COc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Cl	PC-id_140883011	490.07	WAYQTHINVUQBMQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153231
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C4=CNNN4)C(=O)NC5=C(C(=C(C=C5)F)Cl)F	PC-id_160865921	490.133	SLCQBGFJMYCKRA-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-153232
Cc1c(n2C[C@H](Cc2c1C(C(=O)NC1(CC1)c1n[nH]nc1)O)F)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_163554118	490.133	FLOKKAXNEIHEGR-IFGYVTRGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153233
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O)CC4=CC(=CC(=C4)F)C(F)(F)F	PC-id_162079624	490.163	QLRQUPAIXWKGMS-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153234
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC(=C(C=C3)C(=O)O)F)CC4=CC(=CC=C4)C(F)(F)F	PC-id_160349636	490.163	CFSHJNXVXMVIBU-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153235
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=C(C=C(C=C3)C(=O)O)F)CC4=CC=C(C=C4)C(F)(F)F	PC-id_162101527	490.163	HOKCXFNKXGVFOY-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153236
C1CN2C(=C(C(=N2)CO)C(=O)NCCC3(CC=CC=C3)C(=O)O)N1CC4=CC(=CC=C4)C(F)(F)F	PC-id_151449752	490.183	PGGDGMXSQKIVEQ-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-153237
BrC1=c2c(=C(Br)S1(OCC)C(=O)CCCC)sc(c2F)C(=O)O	SCHEMBL14056116,PC-id_71060141	490.203	CZIMTOPTXWNFCL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153238
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Br)c1	PC-id_20409953	490.233	IWKIDCXLNULENU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153239
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)N(C)C)C(=N1)NC(=O)C4=CC=C(C=C4)N(C)C	PC-id_165180382	490.233	KHSIQMUPJVXMIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153240
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)CCCOC	PC-id_162037504	490.258	ZQOAVXQOFLJROA-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-153241
CCCCCCC(=C1C(=O)c2c(C1=O)c(sc2Br)Br)CCCCCC	PC-id_102495379	490.292	ODQJLXMIKBIWPC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153242
O=C(CCc1nnc2s/c(=Cc3ccc([N+](=O)[O-])cc3)/c(=O)n12)Nc1ccc(Cl)c(Cl)c1	ZINC22_1618372,NSC625830	490.319	AADOIMISQIGMMK-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153243
O=C(CCc1nnc2s/c(=C/c3ccc([N+](=O)[O-])cc3)/c(=O)n12)Nc1ccc(Cl)c(Cl)c1	ZINC22_8655966	490.319	AADOIMISQIGMMK-CXUHLZMHSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153244
COc1ccccc1OCc1nc2s/c(=Cc3cc(Br)c(O)c(OC)c3)/c(=O)n2n1	EMOLS-id_324870144	490.327	RBTHWQKQWVCCPC-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153245
COc1cccc(OCc2nc3s/c(=Cc4cc(Br)c(O)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324876290	490.327	UDXOOTINOAJZPO-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153246
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1ccccc1OC	MCULE-3147748878	490.327	RBTHWQKQWVCCPC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153247
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1cccc(OC)c1	MCULE-7868545129	490.327	UDXOOTINOAJZPO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153248
CC1=Cc2c(C1S(C1C(=Cc3c1scc3Br)C)(C)C)scc2Br	SCHEMBL15290393,PC-id_89828371	490.339	COHAEAMDOAEGNE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-153249
COc1ccc(CCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1OC	EMOLS-id_324896768	490.345	INNAWPYXZJBVNV-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153250
COc1ccc(CCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324893708	490.345	PYKDEXIATLVLQU-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153251
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(Br)cc4F)/c(=O)n3n2)cc1	EMOLS-id_324893191	490.345	QKARHSINMGDZIP-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153252
COc1ccc(OCCCc2nc3s/c(=Cc4ccc(F)c(Br)c4)/c(=O)n3n2)cc1	EMOLS-id_324894211	490.345	GCXWGMAKXLWPJA-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153253
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-9510619177	490.345	INNAWPYXZJBVNV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153254
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)CCCOc1ccc(OC)cc1	MCULE-5288013457	490.345	QKARHSINMGDZIP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153255
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-8261648587	490.345	PYKDEXIATLVLQU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153256
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)CCCOc1ccc(OC)cc1	MCULE-4839594343	490.345	GCXWGMAKXLWPJA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153257
NC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccc(Br)cc3)o2)sc2c1CCC2	PC-id_4505660,ZINC22_16429502	490.393	FILIOIPIFRPSKX-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-153258
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18884002,MCULE-2928474319	490.402	IFZSSGUBDVVXFK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153259
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-2508080636,PC-id_18884029	490.402	QXBUEWJNXCJKOQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153260
CCCOc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324917253	490.402	OCOUKPYFNOIYIS-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153261
CC(C)Oc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324917765	490.402	FXWMLLRTSLLQCG-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153262
n12nc(nc1sc(=Cc1cccc(OC(C)C)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2226647531	490.402	FXWMLLRTSLLQCG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153263
n12nc(nc1sc(=Cc1cccc(OCCC)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-8405484186	490.402	OCOUKPYFNOIYIS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153264
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)C(=O)c1ccccc1F	PC-id_135361161,SCHEMBL20539617	490.407	SHCSHCVXNLNRTA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153265
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)C(=O)c1ccccc1F	SCHEMBL20539616,PC-id_135361160	490.407	SHCSHCVXNLNRTA-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153266
O=CN(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)F)C(=O)c1ccc(cc1)F)c1ccc(cc1)F	PC-id_141257356	490.433	FNLLYZOCVJQLKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153267
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)F)C	PC-id_138705352,SCHEMBL21081514	490.45	YYSKGEFOCVTNRT-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153268
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)F)C	SCHEMBL18758553	490.45	TVZAFTYDKWLJPN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153269
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1F)C	SCHEMBL18758697	490.45	FUSAOCQWTTWDQP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153270
FCc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18739983	490.45	POARJDBPIPHYIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153271
FCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18739982	490.45	POARJDBPIPHYIJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153272
FCc1nn2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758653	490.45	LUWUOEIIXCUMPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153273
FCc1nn2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758671	490.45	LUWUOEIIXCUMPD-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153274
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F	PC-id_117588534,ZINC22_256055319	490.455	BSDFPSBJNSPSNH-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153275
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC22_256055506,PC-id_117588542	490.455	JFNJLILMBTTZMG-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153276
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1cccc(c1)C(F)(F)F)c2=O	MCULE-1101202625	490.455	JFNJLILMBTTZMG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153277
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccccc1C(F)(F)F)c2=O	MCULE-4354161653	490.455	BSDFPSBJNSPSNH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153278
c1(c2CCCc2sc1NC(=O)CCN1CCCCC1C)C(=O)Nc1ccc(cc1)Br	TIMTEC438840,MCULE-1679187109,EMOLS-id_2785828,PC-id_3833608	490.456	RXKMCOTXGAOQOZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153279
c1(c2CCCc2sc1NC(=O)CCN1CCC(CC1)C)C(=O)Nc1ccc(cc1)Br	ZINC22_8919201,MCULE-1945679794,TIMTEC194476,CoCoCo_6724254,CoCoCo_6724253,PC-id_3752429,EMOLS-id_2785822	490.456	HKWRPMMTELWDFK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153280
C[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2	CoCoCo_6724260,ZINC22_8919218,CoCoCo_6724258,PC-id_40873106	490.456	RXKMCOTXGAOQOZ-HNNXBMFYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153281
C[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2	ZINC22_8919215,CoCoCo_6724259,PC-id_40873103,CoCoCo_6724257	490.456	RXKMCOTXGAOQOZ-OAHLLOKOSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153282
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C)F	PC-id_134598996,SCHEMBL20252897	490.475	KKPSOAIMQCRBTI-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-153283
Nc1cn2c(n1)OC(C2)COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	PC-id_145096215	490.475	SXCYWAXZSPHTMX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153284
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cc(c(cc1)F)C(F)F	SCHEMBL19920822,PC-id_134303096	490.478	CKWBZIDNXZRHOO-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153285
O=C(C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1)C(F)F)F)NC1(CC1)C1CNNN1	PC-id_146047455	490.478	MZIPQEYTBCFSQZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153286
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC)C(=O)OCC	PC-id_45678488	490.483	FEMJFLBTSOCDHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153287
c1(NC(=O)c2cccc(c2)C(F)(F)F)c2CSCc2nn1CC(=O)NCc1ccc(cc1)OC	EMOLS-id_24913557,CoCoCo_5277775,ZINC22_23139539,MCULE-6878219585,PC-id_30862770	490.498	HBWIRRGOMXEUIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153288
S1Cc2c(nn(c2NC(=O)c2c(cccc2)C(F)(F)F)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053477	490.498	FQJFPBOIBFYTOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153289
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)C(F)(F)F)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053478	490.498	FLVVSPONQNMNPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153290
CC(c1ccc(cc1)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL16624976,PC-id_117999655	490.508	HGROFGQILCKZBO-AREMUKBSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153291
CC(c1ccc(cc1)OCc1nnn(c1)c1cccc(c1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL16624886,PC-id_117999572	490.511	QPGGECDKMZLMLD-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-153292
CC(c1ccc(cc1)OCc1nnn(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL18031084,PC-id_122501179	490.511	UCYLLCOGEQTEPX-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-153293
c1(NC(=O)COc2nonc2CC(=O)NCCN2C(=O)CSC2=O)sc2CCCc2c1C#N	MCULE-4227931716,EMOLS-id_333687122	490.513	KUTSOZAWSMCKMB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-153294
O=C(c1c(C)nc2n1CCS2(=O)=O)N(C(=O)c1c(C)nc2n1CCS2(=O)=O)c1ccccn1	PC-id_45028234,NSC741793	490.513	YSRJGRYIGJPAIH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-153295
C/C=C(/CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F)C=C(C)C	PC-id_145296894	490.518	KEQZPSRXZFNZSR-UBKPWBPPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153296
CC(OC(=O)N1CC2(C1)c1ccccc1N(C2=O)Cc1nc2c(n1CCCC(F)(F)F)CCC2)C	PC-id_118155388,SCHEMBL16812531	490.518	CSLNKKKJFNADEP-UHFFFAOYSA-N	00001010100000100001000010000000000000000000000000000000	25-01-153297
c1(NC(=O)CSc2nc(c3ccc(cc3)OC)cc(n2)C(F)(F)F)sc2c(CCC2)c1C#N	ChEMBL-DNDi_CHEMBL1600011,PC-id_1146134,CHEMBL1600011,MCULE-1857273534,ZINC22_890740,CoCoCo_271465,TIMTEC249073,SPECS-id_AN-329/42286153,EMOLS-id_1409890,BAS-02987665	490.521	JTQFWFVVSIOJCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153298
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1N)N(C)C	SCHEMBL1372372,PC-id_57749875	490.526	ZRXLQWVIJBFRSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153299
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_41568527	490.526	KVXGLPNLYNSPRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153300
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)OC(CN(C)C)c2ccc(cc2)C#N)(C)C)cc1	SCHEMBL1206473,PC-id_58015725	490.529	MBMIDNLSGRJISD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153301
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)NC(=O)C)sc2c(CCC2)c1C#N	EMOLS-id_321902335,MCULE-1145623237	490.534	JEAPCQLASNMMSB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153302
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(c2)NC(=O)C)sc2c(CCC2)c1C#N	MCULE-2664541245,EMOLS-id_321904637	490.534	ASXRVIVATBESDC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153303
c1(NC(=O)CSc2nc(c3cccs3)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C#N	EMOLS-id_2005907,ZINC22_49238615,CoCoCo_1015886,ChEMBL-DNDi_CHEMBL7903723,SPECS-id_AM-807/14147368,MCULE-9319175520,STOCK3S-18543,PC-id_1773595	490.544	LQKICETVAJQAKD-UHFFFAOYSA-N	00000010100100101000100010000000000000000000000000000000	25-01-153304
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1c(F)cccc1)C(C)C)C(=O)OCC	PC-id_51582107	490.544	TUZSWAAGENALCW-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153305
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1c(F)cccc1)C(C)C)C(=O)OCC	PC-id_51919139	490.544	TUZSWAAGENALCW-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153306
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1c(F)cccc1)C(C)C)C(=O)OCC	PC-id_3961080	490.544	TUZSWAAGENALCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153307
COCCCN1CCN([C@H](C1)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F	SCHEMBL6376684,PC-id_59508239	490.546	AGOYCFHGQIHAIM-HNNXBMFYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153308
Fc1c(C(=O)Nc2n[nH]c3C(N(C(=O)N4[C@H](CN([C@@H](C4)CCO)CCC)C)Cc23)C)ccc(F)c1	SCHEMBL10076803,PC-id_59508361	490.546	CEFGNBZMODYMBA-XJIUDMAQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153309
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CCN(C1)C1CC1)F)(C(=O)NO)S(=O)(=O)C	PC-id_135315492,SCHEMBL20484980	490.548	MEBYAARRNGNNRT-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-153310
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(F)CCN(C1)C1CC1)C	SCHEMBL20484978	490.548	MEBYAARRNGNNRT-WTQRLHSKSA-N	00100010100000000001100010000000000000000000000000000000	25-01-153311
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCC#C)cc1)C(=O)OCC	PC-id_55491166	490.549	UQAUJJWTQJXGMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153312
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NCC#C)ccc1)C(=O)OCC	PC-id_27199930	490.549	UNOSXNREDHPPQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153313
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)SC#N)sc2c(CCC2)c1C#N	EMOLS-id_321901310,MCULE-2750287167	490.557	YWODBNCDCMGWNB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153314
O=CN(C1CCN(CC1)c1ncnc(c1)C(=O)N1Cc2c(C1)cn[nH]2)CCc1cc(O)ccc1NC	PC-id_143808181	490.557	HEDHWGPJYQFCQL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153315
CCCCn1c(C)c2c(c1C)C(=O)N(C2=O)CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F	PC-id_100979098	490.561	DEWSUOJLMMJYDM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153316
CCOC(=O)c1c(NC(=O)NCc2ccc(cc2OC)OC)sc2c1C(CC2)CC(=O)OCC	PC-id_89792159,SCHEMBL15241923	490.569	BEKCCTZRGSFARA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153317
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(F)cc1)C(=O)OC	PC-id_19633616	490.571	FGLFKTJIMNSVPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153318
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)C)C(=O)OC	PC-id_19640435	490.571	WJAQKJBSXFMQBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153319
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)C)C(=O)OCC	PC-id_17305350	490.571	SQPUMXYTLAUEMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153320
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331927834,MCULE-6772767156	490.572	SWHQFLPBUXCEBT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153321
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CC(C)O)sc2CCCc2c1C#N	MCULE-4917504269,EMOLS-id_331923741	490.572	XEPJRFXPKQKJKP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153322
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCCO)sc2CCCc2c1C#N	MCULE-4949645395,EMOLS-id_331930642	490.572	ZKLCJWWOHOWOOG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153323
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCOC)sc2CCCc2c1C#N	MCULE-1152564424,EMOLS-id_331921942	490.572	MNBNRQDBARGABA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153324
CC(C)(O)CN1CC(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)C1	CHEMBL4539946	490.572	ZUJNGUNTPOGRRG-HSZRJFAPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-153325
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1cccc(c1)F	PC-id_24946261,SCHEMBL3485283	490.572	HHSFBAUVIIDPCJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153326
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccccc1F	SCHEMBL1984103,PC-id_67237156	490.572	AAMFMLXETMCEEF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153327
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccc(cc1)F	SCHEMBL3485984,PC-id_24946259	490.572	GOWOSAGLHQMEBO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153328
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-2525282199,EMOLS-id_321772284	490.574	XYASUJYEDSYZTK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153329
c1(NC(=O)COc2cccnc2NC(=O)Oc2cc(C)ccc2C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321769724,MCULE-4789959227	490.574	QBNYWLXXVNXOPP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153330
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-9230793852,EMOLS-id_331923473	490.574	NKMJQAIBBGGLAG-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-153331
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CC=C)sc2CCCc2c1C#N	MCULE-5380995885,EMOLS-id_332714817	490.574	SBYSKOLBDZPDFU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153332
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CC=C)sc2CCCc2c1C#N	MCULE-6136615196,EMOLS-id_332714050	490.574	HQAFJCAMOSGOPT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153333
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc4CCCc4n3Cc3ccccc3)cc2)c1C	EMOLS-id_328219767,MCULE-6372845198	490.574	WCYKNQQQMBUEDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153334
CCC(Oc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C)F)OC	PC-id_117674291,SCHEMBL16205312	490.574	CWTWKKFHZCCLIW-LICQEQMYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153335
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCOC)C[C@@H]2C)C3(C)C)n1	BindingDB-id_546092,SCHEMBL3326406,BindingDB_PC-id_25154945,PC-id_25154945	490.574	VRDBJWJUZBNNGQ-CABCVRRESA-N	00000010100010100001000010000000000000000000000000000000	25-01-153336
COCCCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)N(C[C@@H]1C)C)F	PC-id_117673973,SCHEMBL16204956	490.574	ZEZFSGYEBIUNRZ-LOACHALJSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153337
COCCCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C)F	PC-id_59333983,SCHEMBL7018058	490.574	ZEZFSGYEBIUNRZ-CABCVRRESA-N	00000010100010100001000010000000000000000000000000000000	25-01-153338
COCCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1	BindingDB_PC-id_59333951,BindingDB-id_546099,PC-id_59333951,SCHEMBL3327600	490.574	VXHMDGVUKFXIFO-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153339
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(C(C2)C)C)C)(C)C)nc(OCCCOC)nc1	PC-id_72257754	490.574	ZEZFSGYEBIUNRZ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153340
Fc1c(Nc2n[nH]c3C(N(C(=O)N4CC(N(CC4C)C)(C)C)Cc23)(C)C)nc(OCCCO)nc1	PC-id_77457835	490.574	BFFUKBZPDMTUEJ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153341
Fc1c(Nc2n[nH]c3C(N(C(=O)N4CC(N(CC4C)C)(C)C)Cc23)(C)C)nc(OCCOC)nc1	PC-id_72257740	490.574	VXHMDGVUKFXIFO-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153342
Fc1c(Nc2n[nH]c3C(N(C(=O)N4CC(N(C[C@@H]4C)C)(C)C)Cc23)(C)C)nc(OCCCO)nc1	PC-id_68164456,SCHEMBL11913305	490.574	BFFUKBZPDMTUEJ-AWEZNQCLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153343
c1(NC(=O)CC(C)(C)CC(=O)Nc2sc3c(CCC3)c2C(=O)O)sc2c(CCC2)c1C(=O)O	PC-id_1806301,SPECS-id_AE-848/37236063,MCULE-6611387604,CoCoCo_1721530,ZINC22_2158391,EMOLS-id_2942925	490.592	RUPLTNGQLSTCDA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153344
c1(NC(=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_2438931,CoCoCo_893276,SPECS-id_AF-399/40712825,PC-id_1586917,ZINC22_1801815,MCULE-9899922841	490.592	UGBBHEHGXRICBC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153345
CC(C)(O)c1ccc(C#Cc2cc3c(s2)C(=O)N(CC[C@](C)(C(=O)NO)S(=O)(=O)C)C3)cc1	CHEMBL4570914	490.592	OQBHHVVJBNFGFX-HSZRJFAPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153346
O=C(C1CCCCC1C(=O)O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)S(=O)(=O)C)CCC2	PC-id_142393433	490.592	FAQNYNKTPYVGOB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153347
O=C(NC(CC(=O)Nc1sc2c(c1C(=O)O)CCC2)(C)C)Cc1sc2c(c1C(=O)O)CCC2	BindingDB_PC-id_57403741,PC-id_57403741	490.592	PBDDTULVMFTDND-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153348
s1c2c(CCC2)c(c1NC(=O)CCCCC(=O)Nc1sc2c(CCC2)c1C(=O)O)C(=O)OC	PC-id_4215488	490.592	RRXQURIEFKGCTO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153349
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_4564821	490.592	NHORTIZIMGCFDK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153350
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCCN(C1)C(=O)c1sccc1)C(=O)OCC	PC-id_55555752	490.592	XKSGVVBLRIRRTG-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-153351
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)c1sccc1)C(=O)OCC	PC-id_27542062	490.592	NDFGOJYDDAMZIQ-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-153352
s1c2CCC(C(=O)N3CCN(CC3)C/C=C/c3ccccc3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947321	490.592	NADFKFTWZVKKOR-QPJJXVBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153353
s1c2CCC(C(=O)N3CCN(CC3)CC=Cc3ccccc3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_73340148	490.592	NADFKFTWZVKKOR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153354
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCN(CC2)CCO)sc2CCCc2c1C#N	EMOLS-id_333773139,MCULE-7904049292	490.596	KUACYYXBBODENN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153355
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-8851268393,EMOLS-id_331791803	490.596	QAQXGLLPQKAMRJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153356
CC1CCC(C1)NC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	PC-id_56613543,SCHEMBL11218585	490.596	IECGBFUEDFWTII-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153357
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CSC1)(C(=O)NO)S(=O)(=O)C	PC-id_135315193,SCHEMBL20484630	490.596	ZRJNOIGWKLKVSI-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-153358
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCOCC1	PC-id_89237763,SCHEMBL14056412	490.596	QEPGPFSAISPHBS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153359
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	MCULE-5274482898,ZINC22_13055881,PC-id_25691123,CoCoCo_3593272,EMOLS-id_24164495	490.596	WOYBINVDABRRMO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153360
CNC(=O)c1c(NC(=O)COCC(=O)Nc2sc3c(c2C(=O)NC)CCC3)sc2c1CCC2	CoCoCo_2590302,PC-id_22582895,SCHEMBL16770072	490.596	SBVHMVLWTRIQRP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153361
COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-7919456686,EMOLS-id_321764151	490.596	HTIKRXWSDOLKTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153362
COc1ccc(OC)c(c1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_321770793,MCULE-4099452974	490.596	GGYKSBLOFZSKDV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153363
O=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2)NC1CCCCC1	SCHEMBL11217853,PC-id_56617162	490.596	UYEBYOBFZPHHTM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153364
O=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2)NCC1CCCC1	PC-id_56618236,SCHEMBL11217925	490.596	YQNGLTUGXKCOHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153365
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C1CSC1)C	SCHEMBL18587783	490.596	ZRJNOIGWKLKVSI-JOCHJYFZSA-N	00001010100000000001100010000000000000000000000000000000	25-01-153366
COc1ccc(cc1)CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_58015696,SCHEMBL1206458	490.597	FRSLZXAPQXENML-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153367
NC(=O)c1c(NC(=O)CSc2nnc(c3cccnc3)n2Cc2ccccc2)sc2c1CCC2	PC-id_16337136,MCULE-6484748731,EMOLS-id_11777715,CoCoCo_3635818,ZINC22_9663191	490.6	SPAQEUAQFBVCSE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-153368
s1c2c(CCC2)c(c1NC(=O)CSc1n(Cc2ccccc2)c(nn1)c1ccncc1)C(=O)N	PC-id_3181226	490.6	SXFMKTRPQBKCFG-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-153369
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334388242,MCULE-8569232314	490.612	QWPWKLQIJCYGDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153370
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCC(CC1)C(=O)OCC	PC-id_45663370	490.612	ZGLNIPRGWJQRMM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153371
c1(ccccc1NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)Nc1sc2CCCc2c1C(=O)OCC	EMOLS-id_328059262,MCULE-8937661201	490.614	HKNGIKTUXJLJPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153372
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-4308447680	490.614	MAPUWHLTOHPLPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153373
c1(NC(=O)C(=Cc2ccc(cc2)OC)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8890885400	490.614	BBMTUANQXDPUBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153374
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7878660101	490.614	BYIVEIKMVVCNNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153375
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)c2ccccc2)c1	CoCoCo_2879731,ZINC22_3435165,PC-id_2554951	490.614	WDIBRFUBWDTKHO-XMMPIXPASA-N	00000010100000110000000010000000000000000000000000000000	25-01-153376
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)c2ccccc2)c1	ZINC22_3435167,PC-id_2554953,CoCoCo_2879732	490.614	WDIBRFUBWDTKHO-DEOSSOPVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153377
CCOc1ccc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc1OC	EMOLS-id_334329255	490.614	BYIVEIKMVVCNNZ-FYWRMAATSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153378
COc1cc(ccc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)csc2)CCN1CCCCC1	SCHEMBL2989969,PC-id_68468307	490.614	XGSBUPDUFQOTAG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153379
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)sc2CCCc12	EMOLS-id_334385182	490.614	MAPUWHLTOHPLPH-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153380
COCCCNC(=O)c1c(NC(=O)/C(=Cc2ccc(OC)cc2)/c2ccccc2)sc2CCCc12	EMOLS-id_334388758	490.614	BBMTUANQXDPUBA-NKFKGCMQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153381
O=C(C(c1ccccc1)OC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2)Nc1cc(C)ccc1C	MCULE-3546636766,EMOLS-id_3313407,PC-id_4833237	490.614	WDIBRFUBWDTKHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153382
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(CSC2=NCCS2)cccc1)C(=O)OC	PC-id_41122448	490.615	WUDRGAQWIODJBY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-153383
c1(NC(=O)CC(c2ccccc2)c2ccccc2)c2CSCc2nn1CC(=O)NCC1CCCO1	PC-id_44053085,EMOLS-id_24913357,MCULE-2582593512	490.617	HOQKPMMQWHASDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153384
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332711498,MCULE-6085511316	490.617	DWMOLOHHAQBICH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153385
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332713800,MCULE-4380961994	490.617	WHAONAZHIAFELM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153386
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332714313,MCULE-6493809816	490.617	MHYPXBWHFKVGBE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153387
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332719425,MCULE-5388314135	490.617	DSRSASJLJODVPH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153388
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCC)sc2CCCc2c1C#N	MCULE-1686074933,EMOLS-id_332712264	490.617	AYRSXMDGDYNZRJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153389
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCCC)sc2CCCc2c1C#N	MCULE-3472180031,EMOLS-id_332710478	490.617	HGYJASVLBBHFQN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153390
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCC)sc2CCCc2c1C#N	MCULE-5884347743,EMOLS-id_332711239	490.617	RMEMWYUOIWBDLR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153391
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CC)sc2CCCc2c1C#N	MCULE-7601866366,EMOLS-id_332716613	490.617	KMAXHJBWJACWRU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153392
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCCC)sc2CCCc2c1C#N	MCULE-9722901162,EMOLS-id_332712780	490.617	QPIQPPYJNVGSDG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153393
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCC)sc2CCCc2c1C#N	EMOLS-id_332712776,MCULE-4935563074	490.617	GDBFKPBSNQXGTD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153394
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCC)sc2CCCc2c1C#N	EMOLS-id_332713288,MCULE-8527534571	490.617	DPNDPQMHSCNPIX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153395
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CC(C)C)sc2CCCc2c1C#N	MCULE-3016300010,EMOLS-id_332710218	490.617	DYAKLTNCNCYEHX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153396
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCC)sc2CCCc2c1C#N	MCULE-5143523926,EMOLS-id_332713032	490.617	ZLBYAKFLGWIETA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153397
Brc1c(cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)cc1)C	PC-id_16947447	490.801	CGSHELMEJPQKER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153452
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCCC)sc2CCCc2c1C#N	MCULE-7863707555,EMOLS-id_332713293	490.617	UQCAOZIXVZATIW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153398
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCC)sc2CCCc2c1C#N	MCULE-3536015047,EMOLS-id_332712774	490.617	AZJUQGABFFRDRI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153399
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCC)sc2CCCc2c1C#N	MCULE-9286681334,EMOLS-id_332710215	490.617	URLHHKXVXVFNMT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153400
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CC)sc2CCCc2c1C#N	EMOLS-id_332715331,MCULE-7558621997	490.617	SMZWQLXYQBBBRE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153401
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCC)sc2CCCc2c1C#N	MCULE-8439318223,EMOLS-id_331921171	490.617	MSWCRHQABKVFRR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153402
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCc2ccc(C)cc2)sc2CCCc2c1C#N	MCULE-8486752677,EMOLS-id_331925016	490.617	ISNWMEHDLYSQSZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153403
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331925265,MCULE-6857905886	490.617	IQXOTCYMHOQMTR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153404
O=C(Cn1nc2c(c1NC(=O)CC(c1ccccc1)c1ccccc1)CSC2)NC[C@@H]1CCCO1	CoCoCo_5277632,ZINC22_23139129,PC-id_30862429	490.617	HOQKPMMQWHASDG-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153405
O=C(Cn1nc2c(c1NC(=O)CC(c1ccccc1)c1ccccc1)CSC2)NC[C@H]1CCCO1	CoCoCo_5277633,PC-id_30862433,ZINC22_23139133	490.617	HOQKPMMQWHASDG-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153406
s1c2CCC(C(=O)N3CCN(CC3)CCc3ccccc3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_16947954	490.617	MZDURECNFWOHNC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153407
s1c2CCC(C(=O)NC3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_16947957	490.617	OQAAZFOYVPTNCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153408
FC(OC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1)F	PC-id_140817143	490.618	TZRMYCJCVMBPAE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153409
FC(O[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1)F	PC-id_141487836	490.618	TZRMYCJCVMBPAE-QGZVFWFLSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153410
s1c2c(CCC2)c(c1NC(=O)CSc1sc(Nc2ccc(OC)cc2)nn1)C(=O)OCC	PC-id_4544202	490.619	DHXSXIUFNWIIHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153411
CCOC(=O)c1c(NCC(=O)c2cccc(c2)S(=O)(=O)N2CCC(CC2)C)sc2c1CCC2	PC-id_110829229	490.635	NJUHRPSBSAJLJZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153412
CCOC(=O)c1c(NCC(=O)c2cccc(c2)S(=O)(=O)N2CCCC(C2)C)sc2c1CCC2	PC-id_110829367	490.635	PMIKSLHLNAIIRW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153413
CCOC(=O)c1c(NCC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)sc2c1CCC2	PC-id_110829091	490.635	XVOVLYWAAGAMEM-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-153414
CCOC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)CC(C)C2)sc2CCCc12	MCULE-9536148800,PC-id_3468823,EMOLS-id_5430211	490.635	CZJJCUQEBXYEGZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153415
CCOC(=O)c1c(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCCC2)sc2CCCc12	PC-id_1248989,ChEMBL-DNDi_CHEMBL7912084,EMOLS-id_2006620,CoCoCo_517545,ZINC22_1058181,MCULE-9632881090	490.635	ALBCYAJTUOSGKY-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-153416
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2c1CCC2	CoCoCo_4975525,PC-id_27744940,ZINC22_17820785	490.635	CZJJCUQEBXYEGZ-IYBDPMFKSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153417
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CCC2	CoCoCo_4975526,PC-id_42100911,ZINC22_11667490	490.635	CZJJCUQEBXYEGZ-HZPDHXFCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153418
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CCC2	ZINC22_9367956,PC-id_41038215,CoCoCo_4975524	490.635	CZJJCUQEBXYEGZ-HOTGVXAUSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153419
S(=O)(=O)(c1ccc(cc1)C(=O)CNc1sc2c(CCC2)c1C(=O)OCC)N1CCC(CC1)C	MCULE-6855635284,PC-id_110828270	490.635	QDJGZQMKDCVCOM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153420
S(=O)(=O)(N(C1CCCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_24155987	490.635	OJDXATFGFPZMKQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153421
S(=O)(=O)(N(C1CCCCC1)CC)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_41149361	490.635	XTWUJADMSDRBOB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153422
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331790265,MCULE-3344809189	490.639	IXZSVXPDQMJSJL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153423
CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	PC-id_25699850,CoCoCo_3596585,ZINC22_13069697,MCULE-4749439272,EMOLS-id_48937371	490.639	XCZYUEIVOZFLRV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153424
CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	ZINC22_13072765,PC-id_25701646,EMOLS-id_48934127,MCULE-3690974906,CoCoCo_3578797	490.639	GUTLMHSCOLTHDL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153425
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)c1c(cc(cc1)C)C	PC-id_24680021	490.639	MVHVOJMXFYBOKW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153426
c1(NC(=O)c2ccc(cc2)OCCCCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330532,MCULE-5099539525	490.657	GKUGXXZSENMFKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153427
c1(NC(=O)CCCOc2ccccc2C(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5363358164,EMOLS-id_334334112	490.657	GPFSMGCKJZDSJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153428
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331815,MCULE-7876654717	490.657	QARXEWGEANDGKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153429
c1(NC(=O)CSc2nnc(c3csc(C)c3)n2CCC)sc2c(CCC2)c1C(=O)OCC	PC-id_17372504,TIMTEC311257,MCULE-6228355961,EMOLS-id_4166915,CoCoCo_6807208,ZINC22_20563091	490.662	MKYQXYLSHSUBHM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153430
CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc1	MCULE-3366751497,CoCoCo_4308301,ZINC22_9603532,PC-id_16348781,EMOLS-id_11793304	490.662	WEXFBCZRKSSHTQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-153431
N/C=C(/N(c1cc(C)c(c(c1)C)C)c1ccccc1)C=C
/Cc2c(C1(C)C)cc(s2)C=C(C#N)C#N	PC-id_145411050	490.662	WQKGCAHMFDVUNF-ZOALKXNRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153432
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19718878	490.662	OXOZPIQMPUGFCC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153433
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19719032	490.662	OBRZISKJHZMXSG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153434
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(c(sc1)C)C)C(=O)OC	PC-id_19721177	490.662	JNRKTHRICGIDOM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153435
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(c(sc1)C)C)C(=O)OC	PC-id_19721329	490.662	WTEMIHVDECWQHI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153436
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C)C(=O)OCC	PC-id_19718134	490.662	SBSMBUJAHKXRQT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153437
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC)C(=O)OC	PC-id_19721608	490.662	BBHJWWYBVDYUKW-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153438
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)C)C(=O)OCC	PC-id_19721484	490.662	SOJYXXNGQREJNP-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153439
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC)C(=O)OC	PC-id_19719336	490.662	VWAMIZXXZRELII-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153440
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC)C(=O)OC	PC-id_19720109	490.662	PCBOFCRGFOGZSI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153441
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC)C(=O)OCC	PC-id_19718578	490.662	NVQYGGKFPMHVMC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153442
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)C)C(=O)OCC	PC-id_19719186	490.662	RBZQSRIHGQFPFB-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153443
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)C)C(=O)OCC	PC-id_19719958	490.662	ZULMXRPTVPNMEU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153444
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC)C(=O)OCC	PC-id_19720874	490.662	HZBKGPLEBYBNFC-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153445
CN1CCN(CC1)Cc1ccc(cc1)c1ccc(cc1)CC(NC(=O)[C@@]1(N)Cc2c(C1)cns2)N	SCHEMBL12688007,PC-id_68353296	490.663	QTYBOLDAQAEMCT-GPNIZQGCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153446
s1ncc2CC(N)(Cc12)C(=O)NC(N)Cc1ccc(c2ccc(CN3CCN(CC3)C)cc2)cc1	PC-id_77466506	490.663	QTYBOLDAQAEMCT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153447
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCNCC1	PC-id_117688919,SCHEMBL16224750	490.682	SXBXCMRMFLONRN-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153448
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C)CN1CCC(CC1)S(=O)(=O)C	SCHEMBL18368007	490.682	BTQKVXAIGFGLKX-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153449
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC)C(=O)OCC	PC-id_17266818	490.682	UXTUMECLYZPTPF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-153450
Brc1cc(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2ccc(Cl)cc2)cc1)C	PC-id_16947442	490.801	ZFSULJHTMGLPIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153451
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=CNNN1)C(=O)Nc1cc(c(cc1F)F)Cl	PC-id_134604990,SCHEMBL20259550	490.89	DAYUTJGPWYTMOX-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-153453
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C(=N)/C=NN)C(=O)Nc1c(c(c(cc1)F)Cl)F	PC-id_134302790	490.89	SKQAXQCQBLVILB-CYZKVRETSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153454
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=N/N)/C=N)C(=O)Nc1cc(c(cc1F)F)Cl	PC-id_134303071	490.89	VHFVQFSEZVAGTI-UYCXFFBVSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153455
N/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1cc(Cl)c(cc1F)F)N=N	SCHEMBL19920793	490.89	UEMHFOVHXMHEDS-VDYXTCIISA-N	00100010100000110000000010000000000000000000000000000000	25-01-153456
N=N/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CCC2)C(=O)Nc1ccc(c(c1F)Cl)F)N	SCHEMBL19920501	490.89	GCWZNGGZCCFYHC-ADJSOWTHSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153457
O=C(c1c(Cl)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)F)F)COCNC1(CC1)c1c[nH]nn1	PC-id_139525499,SCHEMBL21398797	490.89	ZFPCQCYCGPZPRR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153458
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(COC1)/C(=C/NN)/N)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920745,PC-id_134303025	490.915	JXZMFJHJTWZWCT-PXNMLYILSA-N	00001010100000110000000010000000000000000000000000000000	25-01-153459
c1(NC(=O)CSc2nnc(c3ccc(cc3)Cl)c(=O)[nH]2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6271072,MCULE-5000682020,EMOLS-id_10085429,PC-id_136230505,ZINC22_27526207,CoCoCo_6271073	490.983	XVOSIJVEOJJIDE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153460
Clc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCN(CC2)CCOCCO)(C)C)cc1	PC-id_10480754	490.983	MOBJWBVNLGTKBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153461
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2scc(n2)CC(=O)OCC)cc1	PC-id_16947451	490.983	XBUJFQFOGSIXIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153462
ClC1=CC(=C2NNC(C2)C(=O)Nc2sc3c(CCC3)c2C(=O)NCCCOCC)C(=O)C=C1	PC-id_73537656	491.003	WIFGIKYWXGQBAS-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-153463
Clc1c(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cccc1	PC-id_19728159	491.026	ZCJLIHZLIMNCIO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153464
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc1	PC-id_19728477	491.026	SZDGSUSNDMWVLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153465
Clc1ccc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_19728694	491.026	TYWCSEADZQTJFT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153466
Clc1ccc(Cc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_20124142	491.026	QYKKPSQXQVWATD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153467
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_20124028	491.026	LIDYMDKYHWOEMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153468
Clc1c(NC(=O)C[NH+]2CCN(CC2)C(C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_85468569	491.026	WXRKGJCHJRKMRG-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-153469
Clc1c(NC(=O)C[NH+]2CCN(CC2)[C@@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	GD-id_ZINC22787920,PC-id_30624808	491.026	WXRKGJCHJRKMRG-AWEZNQCLSA-O	00000010100010110001000010000000000000000000000000000000	25-01-153470
Clc1c(NC(=O)C[NH+]2CCN(CC2)[C@H](C)C(=O)Nc2sc3c(CCC3)c2C(=O)N)cccc1	PC-id_30624814	491.026	WXRKGJCHJRKMRG-CQSZACIVSA-O	00000010100010110001000010000000000000000000000000000000	25-01-153471
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9172971294,EMOLS-id_334333098	491.043	JWWRORCEJHPUOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153472
C1Cc2c(C1)sc(c2C(=O)N)N=Cc1cc(cc(c1O)I)Br	PC-id_136178338	491.141	DBPQSZCDPPHZFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153473
IC1=CC(=CC(=CNc2sc3c(CCC3)c2C(=O)N)C1=O)Br	PC-id_50886498	491.141	AXEQSRKQFPBFLD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-153474
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC(C)(C)CCCC(=O)O)F	PC-id_164992000	491.162	BPZBQMCRLLKRNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153475
CC(C)(C)OC(=O)CC1CCC(CC1)(C#N)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Cl	PC-id_164801019	491.182	BVYBHPQCZMZCSM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153476
CCCC[Sn](c1cnc2n1CCC2)(CCCC)CCCCc1ccc(cc1)F	PC-id_67938892,SCHEMBL9839144	491.263	QDXSXZSZLITPEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153477
CCC1(NC(=C(C=N1)F)NC2=NNC3=C2CN(C3(C)C)C(=O)N4C[C@H](N(C[C@@H]4C)CCOC)C)N	PC-id_153930156	491.313	CJEWHWZSLKHUKB-SXFHDKBCSA-N	00000010100011000001000010000000000000000000000000000000	25-01-153478
Cc1ccccc1OC1CCC(CC1)CCn1c2c(CCC2)c(n1)C(=O)N1CCC(CC1)CC(=O)C	PC-id_163668726	491.315	HIOZDYGDAKZKQB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153479
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)CCC4CCC(CC4)C5=CC=CC(=C5)C	PC-id_153575417	491.315	QVAYDYCKWFFYNX-KFGJODCASA-N	00000010100010110001100010000000000000000000000000000000	25-01-153480
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)CCC4CCC(CC4)C5=CC=CC=C5C	PC-id_153575426	491.315	FPVBOTVHRRZYOM-KFGJODCASA-N	00000010100010110001100010000000000000000000000000000000	25-01-153481
Brc1c(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_55327299	491.358	WPRFUPIDJXZWBI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153482
Brc1cc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc1	MCULE-5215540779,EMOLS-id_3293604,PC-id_3502899	491.358	MAPMKXDXMZFJKZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153483
Brc1oc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc1	PC-id_44053496	491.358	LTWFFUVWOZHCCA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-153484
C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	CoCoCo_3156319,GD-id_ZINC03378024,ZINC22_3378024,PC-id_2496055	491.358	MAPMKXDXMZFJKZ-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153485
C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)N)CCC3)C1=O	PC-id_2496053,ZINC22_3378022,CoCoCo_3156320	491.358	MAPMKXDXMZFJKZ-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153486
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cc(cc(c1)Cl)Cl	PC-id_134303112,SCHEMBL19920838	491.37	IWPBKOKDRZUZFN-YBEGLDIGSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153487
Clc1cc(cc(c1)Cl)NC(=O)c1n2CCCc2c(c1C)C(=O)C(=O)NC1(CC1)C1CNNN1	PC-id_146047458	491.37	XUXOUPDUAJGOLN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153488
c1(NC(=O)c2ccc(c(COc3cccc(Cl)c3Cl)c2)OC)sc2c(CCC2)c1C(=O)N	TIMTEC394082,CoCoCo_6577581,EMOLS-id_8249448,MCULE-8346565611,PC-id_4765794,ZINC22_2739390	491.387	PZHFFNNDIXWWIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153489
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)ccc(Cl)c1	PC-id_44053549	491.39	PDSAFXAATNPYOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153490
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc(Cl)cc1	PC-id_44053550	491.39	MZVSGDQEDFFESI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153491
Clc1c(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)ccc(Cl)c1	PC-id_44053350	491.39	QBKPFCTZIWKIJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153492
Brc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3sc4CCCc4n3)ccc2)cc(cc1)C	GD-id_ZINC25768682,PC-id_33040367	491.401	AHAFRTZXXCETMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153493
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408630597	491.408	VMEVAPPGKHMUPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153494
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408619382	491.408	LYTNVXWCKSWLHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153495
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408617240	491.408	FMMGORHPVFGGTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153496
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408629731	491.408	HAUJFZYEOKYCCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153497
CN(c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C(=O)Nc1ccc(cc1)C(F)(F)F	PC-id_117999669,SCHEMBL16624990	491.42	UEWOAASLBWHIEQ-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153498
Brc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2)cc1	PC-id_20170719	491.424	DUSFYPLIMQCVQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153499
Brc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1	PC-id_20168309	491.424	LMXOVWUIZRIKSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153500
Brc1cn(nc1)Cc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_20173200	491.424	WRJBKKCRHPQYPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153501
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)C(F)(F)F)sc2CCCc2c1C#N	EMOLS-id_333648786,MCULE-1142121053	491.443	AYNVVSUBJLSWCS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153502
c1(NC(=O)COc2nonc2CC(=O)Nc2cccc(c2)C(F)(F)F)sc2CCCc2c1C#N	MCULE-4599174036,EMOLS-id_333645983	491.443	IVIHISUVOOBYDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153503
Brc1sc(S(=O)(=O)N2CCN(CC2)CC(=O)Nc2sc3CCCc3n2)cc1	PC-id_60501543	491.446	AKMLIYNWVBRDLM-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-153504
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/N)/N)C(=O)Nc1cc(ccc1)OC(F)(F)F	PC-id_134302789,SCHEMBL19920500	491.463	AIQYWWATPNEQLX-WJDWOHSUSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153505
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH+]2CCC(CC2)C)cc1	PC-id_40873091	491.464	HKWRPMMTELWDFK-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-153506
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH+]2C(CCCC2)C)cc1	PC-id_74716226	491.464	RXKMCOTXGAOQOZ-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-153507
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH+]2[C@H](CCCC2)C)cc1	GD-id_ZINC08919218,PC-id_40873105	491.464	RXKMCOTXGAOQOZ-HNNXBMFYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-153508
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH+]2[C@@H](CCCC2)C)cc1	PC-id_40873102	491.464	RXKMCOTXGAOQOZ-OAHLLOKOSA-O	00000010100010110000000010000000000000000000000000000000	25-01-153509
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])F)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL4291110,PC-id_68989693	491.47	WGYCZJUMVYYBAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153510
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-]	SCHEMBL4287464,PC-id_68987945	491.47	QJDAXSFMQRTILX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153511
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)c1c(F)cc(F)cc1)C(=O)N	PC-id_30322017	491.508	PKSVXRBUNWMYGC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153512
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC)C(=O)N	PC-id_45644374	491.514	IZBNJHDOMMGSQL-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-153513
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_3642082	491.514	UYOGGMBQBXDMTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153514
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC	PC-id_4129701	491.516	LOOKGJDMQDDPEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153515
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC	PC-id_9648593	491.516	LOOKGJDMQDDPEZ-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-153516
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_4401958	491.516	RUMPJFJUGJEFPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153517
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_9668909	491.516	RUMPJFJUGJEFPT-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-153518
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)cccc1)C(=O)OC	PC-id_19658706	491.516	PNFNJWOKCDANCP-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-153519
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccccc2)cccc1)C(=O)OC	PC-id_73633207	491.516	PNFNJWOKCDANCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153520
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)CC(=O)O)sc2c(CCC2)c1C#N	EMOLS-id_321901563,MCULE-9213631881	491.519	JZXYOKWGCSKFEX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153521
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_321902334,MCULE-5639401012	491.519	XOUWBZQVLVWTSH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153522
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(c2)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_321903102,MCULE-2447856549	491.519	BIAMAFPGRSXHSW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153523
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_321904636,MCULE-1084966998	491.519	UCNCZJFRSHTZIK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153524
c1(NC(=O)COc2cccnc2NC(=O)NCc2ccc(cc2)C(=O)O)sc2c(CCC2)c1C#N	MCULE-4967131568,EMOLS-id_321873019	491.519	CSPNNVRINFEADB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153525
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2)NC(=O)C)sc2c(CCC2)c1C#N	MCULE-4405635784,EMOLS-id_321773563	491.519	WXQYLICSQFTYQF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153526
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(OC)cc1)C(=O)OCC	PC-id_5223269	491.537	PAPPELJSCBCJMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153527
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(OCC)cc1)C(=O)OC	PC-id_4689203	491.537	UVKSONNHEQPZKH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153528
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)ccc1)C(=O)OCC	PC-id_3292504	491.537	ICRUFZZBWRDSRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153529
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)cccc1)C(=O)OCC	PC-id_4163080	491.537	AEXHMIXSDVKISK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153530
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)COc1ccccc1)C(=O)OCC	PC-id_3588661	491.537	BVBBRQRRPATQFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153531
COc1c(OC)cc(cc1OC)c1n[nH]c(c1)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109466	491.539	DSYSPKWDKAQSGO-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-153532
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_138964109	491.542	KYWUYKRCGPPWED-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153533
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cc(OCC)c(c(OCC)c1)OCC)C(=O)OC	STOCK3S-49553,BAS-03754085,MCULE-5024640043,EMOLS-id_1439941,PC-id_2791764	491.554	JRCXPSBCKJFPTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153534
CCOc1cc(C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc(OCC)c1OCC	CoCoCo_306313,ZINC22_4290614,PC-id_40482277	491.554	JRCXPSBCKJFPTK-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153535
CCOc1cc(C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc(OCC)c1OCC	ZINC22_4290613,CoCoCo_306312,PC-id_40482276	491.554	JRCXPSBCKJFPTK-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153536
CCOC(=O)c1c(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)sc2c1CCC2	MCULE-1835395684,PC-id_3299320,ZINC22_23514791,EMOLS-id_43727277	491.554	HLLIQFQCOGMXDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153537
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OCC)c(OCC)c(OCC)c1)C(=O)OC	PC-id_24363393	491.554	RVLWYWZXBDCQSY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153538
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(cc1)OCc1ccccc1)C(=O)OC	PC-id_73551977,MCULE-9357549015	491.555	ZJJOXWHSUINKHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153539
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1)C(=O)OC	PC-id_19175187	491.555	ZJJOXWHSUINKHO-XNTDXEJSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153540
S(=O)(=O)(N1CCCCC1)c1cc(ccc1F)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16529000	491.556	KNPPIYFPAZIFSE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153541
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(c1ccccc1)CN1CCCC1	SCHEMBL1205791,PC-id_66941601	491.557	CKZNZYXGIFUONS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153542
c1(NC(=O)COc2cccc(c2)NC(=O)Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C#N	MCULE-3296417626,EMOLS-id_323207355	491.559	LDYYSGWFTYMWLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153543
c1(NC(=O)COc2cccc(c2)NC(=O)COc2ccc(OCC)cc2)sc2c(CCC2)c1C#N	EMOLS-id_323210323,MCULE-9728154973	491.559	RPRPQDBRJSGIOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153544
CCOC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2N)sc2c1CCC2	MCULE-6572637943,PC-id_16280715,EMOLS-id_11688709,CoCoCo_3110249,ZINC22_9980445	491.559	DGOKIGUYILSQOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153545
s1c2c(CCC2)c(c1NC(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)N	PC-id_51904326	491.559	BKFUFUBIHSXNRV-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153546
s1c2c(CCC2)c(c1NC(=O)COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)N	PC-id_51904327	491.559	BKFUFUBIHSXNRV-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-153547
s1c2c(CCC2)c(c1NC(=O)COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)C(=O)N	PC-id_45632268	491.559	BKFUFUBIHSXNRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153548
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccccc1)C(=O)N	PC-id_51478457	491.559	AZKVWLRYNFJIQC-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-153549
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)Cc1ccccc1)C(=O)N	PC-id_51478459	491.559	AZKVWLRYNFJIQC-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153550
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)C(=O)N	PC-id_4368616	491.559	AZKVWLRYNFJIQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153551
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2ccccc2)cc1)C)C(=O)OC	PC-id_5243427	491.559	VMOHZKIACKVZDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153552
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2ccccc2)cc1)C)C(=O)OC	PC-id_9613537	491.559	VMOHZKIACKVZDS-LQKURTRISA-N	00000010100000110000000010000000000000000000000000000000	25-01-153553
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(cc2)C)cc1)C(=O)OC	PC-id_19659059	491.559	HFMRPBLKBAHTML-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153554
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(cc2)C)cc1)C(=O)OC	PC-id_73633555	491.559	HFMRPBLKBAHTML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153555
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2ccccc2)ccc1)C(=O)OCC	PC-id_4323036	491.559	SCHXEALCLBAIDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153556
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2ccccc2)ccc1)C(=O)OCC	PC-id_9657637	491.559	SCHXEALCLBAIDQ-JFLMPSFJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153557
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2ccc(cc2)C)ccc1)C(=O)OC	PC-id_19660614	491.559	LSVSDHVGFONTRW-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153558
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2c(cccc2)C)ccc1)C(=O)OC	PC-id_4586734	491.559	GPXNFFURPCDZDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153559
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2ccc(cc2)C)ccc1)C(=O)OC	PC-id_73635068	491.559	LSVSDHVGFONTRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153560
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2c(cccc2)C)ccc1)C(=O)OC	PC-id_9677963	491.559	GPXNFFURPCDZDP-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153561
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1F	SCHEMBL1983274,PC-id_24947698	491.561	PTCXTJLUYVKOOR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153562
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2OCCC)sc2c(CCC2)c1C#N	MCULE-4010580838,EMOLS-id_321900798	491.562	YIQXHLOKRJKIID-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153563
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2OC(C)C)sc2c(CCC2)c1C#N	MCULE-6595787045,EMOLS-id_321901566	491.562	MYMIQCJHSONCOZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153564
c1(NC(=O)COc2cccnc2NC(=O)NCCc2ccc(OC)cc2)sc2c(CCC2)c1C#N	MCULE-8331803892,EMOLS-id_321875064	491.562	ITDAXPOWIXXGQF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153565
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-6538507704,EMOLS-id_331927835	491.562	IHMORCIUTPOFQS-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-153566
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-4390682580,EMOLS-id_331921950	491.562	XYSFYGNGCFXVJL-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-153567
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-8723555244,EMOLS-id_331923994	491.562	ZGEJMDCFXHKYHI-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-153568
c1(NC(=O)COc2nonc2C(=O)N2CCC(CC2)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333661129,MCULE-1193810043	491.562	JEPYLZKZFVPJFH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153569
CCOc1ncc(cc1C(=O)Nc1c(nn2c1CCC2)C(=O)N)S(=O)(=O)N1CCN(CC1)CC	SCHEMBL6856004,PC-id_11466019	491.564	USCVMCVSLAVQTQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-153570
N#Cc1ccccc1S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_24752307,SCHEMBL4287363	491.565	UPOUTTMLBSVGKI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153571
N#Cc1cccc(c1)S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_24752308,SCHEMBL4279687	491.565	CMDWVZOWKZDHID-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153572
N#Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL4285399,PC-id_24752449	491.565	BHTXBSSVFMKZLV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153573
C1Cn2cncc2C1SC1=C(N2C(CC2=O)SC1)C(=O)ON=C(c1csc(n1)N)C(=O)N	PC-id_88624031	491.567	DKMUCDKKZLMNAJ-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-153574
NC(=O)C(=NOC(=O)C1=C(CS[C@@H]2N1C(=O)C2)SC1CCn2c1cnc2)c1csc(n1)N	SCHEMBL10523007	491.567	DKMUCDKKZLMNAJ-HQVZTVAUSA-N	00001010100011000001001010000000000000000000000000000000	25-01-153575
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C1COC1)(C(=O)NO)S(=O)(=O)C	PC-id_137440949,SCHEMBL20678258	491.58	FNZZUDXWVWFRPE-JOCHJYFZSA-N	00001010100000000000100010000000000000000000000000000000	25-01-153576
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C1COC1)(C(=O)NO)S(=O)(=O)C	PC-id_137440950,SCHEMBL20678260	491.58	FNZZUDXWVWFRPE-UHFFFAOYSA-N	00001010100000000000100010000000000000000000000000000000	25-01-153577
C/C=C/N(C)/C=CC(=C)Nc1cc(n[nH]c1=O)c1cc(c(cc1)F)NC(=O)c1cc2c(s1)CCC2	SCHEMBL19981740,PC-id_134355352	491.58	VBTWQPUZXJYYSX-ZRPZKNSASA-N	00000010100000110001100010000000000000000000000000000000	25-01-153578
O=C(Cc1ccccc1)O/N=C
/C(CN(c2ccc(cc2)C)C(=O)Cc2ccccc2)Cn2c1ccc2	TIMTEC13660,PC-id_11840106	491.58	NKWSUHOGTWNIJH-MVJHLKBCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153579
O=C(Cc1ccccc1)O/N=C
/[C@H](CN(c2ccc(cc2)C)C(=O)Cc2ccccc2)Cn2c1ccc2	CoCoCo_6950709	491.58	NKWSUHOGTWNIJH-WAPUXUJFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153580
O=C(Cc1ccccc1)O/N=C
/[C@@H](CN(c2ccc(cc2)C)C(=O)Cc2ccccc2)Cn2c1ccc2	CoCoCo_6950712	491.58	NKWSUHOGTWNIJH-PNPRCYHVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153581
O=C(Cc1ccccc1)O/N=C/1[C@H](CN(c2ccc(cc2)C)C(=O)Cc2ccccc2)Cn2c1ccc2	PC-id_27553963,CoCoCo_6950710	491.58	NKWSUHOGTWNIJH-SADOOTFCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153582
O=C(Cc1ccccc1)O/N=C/1[C@@H](CN(c2ccc(cc2)C)C(=O)Cc2ccccc2)Cn2c1ccc2	PC-id_27553964,CoCoCo_6950711	491.58	NKWSUHOGTWNIJH-WVWNOFHPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153583
O(N=C1C(Cn2c1ccc2)CN(c1ccc(cc1)C)C(=O)Cc1ccccc1)C(=O)Cc1ccccc1	PC-id_71966822	491.58	NKWSUHOGTWNIJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153584
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SCC(=O)NCCOC)cccc1)C(=O)N	PC-id_42590234	491.58	KCQVPGYXQIUMRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153585
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CCNC(=O)CCC(=O)c1sccc1)C)C(=O)N	PC-id_24519843	491.58	AUHGWPFQFOOMRL-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153586
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CNS(=O)(=O)/C=C/c1ccc(cc1)C)C)C(=O)N	PC-id_24498523	491.58	VSTKPDPIYGTTPS-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153587
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)CNS(=O)(=O)C=Cc1ccc(cc1)C)C)C(=O)N	PC-id_74287789	491.58	VSTKPDPIYGTTPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153588
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OC)c1ccc(cc1)C	PC-id_16923796	491.58	ITRRGQBFLLNNOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153589
S(=O)(=O)(N1C(CCC1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(cc1)C	PC-id_55306042	491.58	IUWODSCRMYEZGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153590
S(=O)(=O)(N1CCCCC1)c1cc(ccc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_4234739	491.58	WEAMQEWBPZQREY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153591
S(=O)(=O)(N1CCCCC1)c1c(cccc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_42980839	491.58	IHPMPOGUXSGEGA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153592
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_5244669	491.58	GUFLYRDDDBLOTA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153593
S(=O)(=O)(N1CCC(CC1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccccc1	PC-id_42979631	491.58	FWKRXGWRFBIZKF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153594
S(=O)(=O)(N1[C@@H](CCC1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1ccc(cc1)C	PC-id_55925783	491.58	IUWODSCRMYEZGK-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153595
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OCC	PC-id_41364296	491.58	IEQAFWNISSTUIZ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153596
CCCc1ccc(cc1)NC1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_5278887,SCHEMBL2094402	491.582	NJQJTNBGFSASCE-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153597
CCCc1ccc(cc1)NC1CCN(CC1)c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_67275303,SCHEMBL2094408	491.582	NJQJTNBGFSASCE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153598
COc1ccc(cc1)CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(C)C	SCHEMBL1205828,PC-id_58015667	491.582	ABSHKEVFZDPKJZ-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153599
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(Sc2c(cccc2)C#N)cccc1)C)C(=O)N	PC-id_24495107	491.582	BGZWFQCIRZTMND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153600
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SCc2ccc(cc2)C#N)cccc1)C(=O)N	PC-id_27317886	491.582	HLWJNCSRRZQQAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153601
NC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)CC2)cc1	MCULE-3908862943,PC-id_25590127,EMOLS-id_16720452,ZINC22_12903030,CoCoCo_4241551,GD-id_ZINC12903030	491.584	RUQUANZXVSSCJF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153602
s1c2CCCc2c(c1NC(=O)CSc1n(Cc2occc2)c(nn1)c1cc(OC)ccc1)C#N	PC-id_24518578	491.585	AURBOQYXJOGBSJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-153603
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccccc2C)sc2c(CCC2)c1C(=O)OCC	MCULE-5715382005,PC-id_4171040	491.599	IRGAPSKURFJQJA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153604
s1c2c(CCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCc2c(cccc2)C)cc1)C(=O)OCC	PC-id_1663258	491.599	IRGAPSKURFJQJA-FYWRMAATSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153605
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N1CCN(CC1)C(=O)OCC	PC-id_45663337	491.6	AXZLAVVPQPLCPR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-153606
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3C)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2700542856,EMOLS-id_334337194	491.602	LKMBGIZBZXEYGT-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-153607
CCCCCCOc1ccccc1/C=c/1sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	EMOLS-id_45965763,ZINC22_16742276	491.602	WSIHJHNIVHESET-FSGHBROGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153608
n12nc(nc1sc(=Cc1ccccc1OCCCCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8048462787	491.602	WSIHJHNIVHESET-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153609
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCC)c2=O)C=Cc1ccc(cc1)OC	MCULE-9291113693	491.602	CUMGLAUOEAXSRU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153610
COc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)N)CCC2)S(=O)(=O)c1cccs1	ZINC22_2622846,CoCoCo_3160391,MCULE-2310805546,EMOLS-id_3251864,PC-id_2084782	491.604	DWQFHKVTJIZAFL-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-153611
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332716876,MCULE-5611219276	491.605	MLAUKJBXBDCYBQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153612
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CC)sc2CCCc2c1C#N	EMOLS-id_332715333,MCULE-1286601830	491.605	QVHQIBPWYZDESJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153613
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CC)sc2CCCc2c1C#N	MCULE-8568626494,EMOLS-id_332715844	491.605	MKYIFRRXLGHLLG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153614
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-6241383415,EMOLS-id_331929627	491.605	UGCQDYQVSBWPDU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153615
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_331919647,MCULE-8221137601	491.605	YFUPAKZIJAHMEE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153616
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-3132063103,EMOLS-id_331925786	491.605	UBRDFZFCQVJFQD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153617
CCOC(=O)C1CCc2c1nc(s2)NC(=O)c1ccc(nn1)N1CCC(CC1)Cc1ccccc1	PC-id_121028579	491.605	LBNNZKNCMDXENV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153618
COc1cc(F)c(c(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140883003	491.606	DITVNRPVINCRMS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153619
FC(Oc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_140882981	491.606	VNTTWVOFXPSTCF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153620
s1c2c(CCC2)c(c1NC(=O)COC(=O)CSc1n(CC)c(nn1)c1sccc1)C(=O)N	PC-id_41146493	491.607	AKENMJZBBXJTSS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-153621
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1sc(SCC)nn1	PC-id_16948092	491.607	YWEDEFVDNXIRGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153622
C/N=CC(=C/C)c1nc(OC)cc(c1)c1ccc(c(c1)F)CN1Cc2c(C1=O)sc(c2)C(C)(C)C	SCHEMBL18752882	491.62	XNGVIYGUUJSQAG-BRHADVBZSA-N	00000010100000111000100010000000000000000000000000000000	25-01-153623
O=C(C1CCN(CC1)C(=O)C1Cc2c(N1Cc1ccc(cc1)F)ccs2)Nc1cc(C)cc(c1)C	PC-id_70998678,SCHEMBL13812459	491.62	ZQMCUFIGMWGOGR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153624
Cc1c(c(c(cc1)OC)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)F	SCHEMBL20348508,PC-id_135195383	491.622	OVBFMKLXTKQZNU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153625
OCC(c1ccc(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19312209	491.622	BTRKLMHANQULJZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153626
OCC(c1ccccc1F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537532	491.622	RWVCQJKRXWJLJX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153627
OC[C@H](c1cccc(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537127	491.622	VKRDYZLJMCXFFF-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153628
OC[C@H](c1ccc(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537134	491.622	BTRKLMHANQULJZ-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153629
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331788987,MCULE-9268134509	491.623	SEXYNGKMTYRZOQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153630
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331788986,MCULE-2785408594	491.623	VVGQXUOSNDPOJD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153631
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331787455,MCULE-7737155077	491.623	JUAFJQZKZVGTSF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153632
S(=O)(=O)(N1CC(CC(C1)C)C)c1c(OC)ccc(c1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_46520174	491.623	LYGATWOITKDWEI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153633
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(cc1)C	PC-id_22197155	491.623	UFLVEYMMKDCPNO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153634
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)Cc1ccccc1	PC-id_38813570	491.623	FMQCQOWWTCAXNM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153635
S(=O)(=O)(NC1C(CCCC1)C)c1c(OC)ccc(c1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_46652796	491.623	CNOBBLFWTJUEAZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153636
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CC=C)sc2CCCc2c1C#N	MCULE-5228992545,EMOLS-id_331789491	491.625	IVVRZEDQDWKXQF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153637
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331790003,MCULE-5730844052	491.625	YTZLKKAMSVQKMT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153638
c1(NC(=O)C2CCN(CC2)S(=O)(=O)C)c2CSCc2nn1CC(=O)NCCc1ccccc1	EMOLS-id_24913651,PC-id_30862897,ZINC22_23139682,CoCoCo_5277829,MCULE-7039500057	491.627	AWINHRILAPKSAR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153639
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CN1CCCCCC1=O)CC)C(=O)OC	PC-id_41950371	491.627	ITFZOGYYPDSXTO-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-153640
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCCC	PC-id_44052924	491.627	ZXLGZNFCUYVMGG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153641
c1(NC(=O)c2ccc(cc2)OCCCCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18883994,MCULE-7553629902	491.645	NEBDYJADAVEGOU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153642
O=C(N(C1CCc2c1ncs2)c1ccc(cc1)OCCCN1CCCC1C)OCc1ccccc1	PC-id_68703112,SCHEMBL3585811	491.645	TYPYUNRAUMOSRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153643
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCCC)CCCC)sc2c(CCC2)c1C(=O)NC	ZINC22_15822832,PC-id_22582893,MCULE-8568704783,CoCoCo_2590296,EMOLS-id_16349171	491.667	OOUVKPQCMUMCQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153644
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)sc2c(CCC2)c1C(=O)NC	ZINC22_17113196,PC-id_27532365,EMOLS-id_22708544,CoCoCo_5058639,MCULE-7792123700	491.667	WYLAYZJSXDOMOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153645
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCOCC1	SCHEMBL19772132,PC-id_134170959	491.667	MJIFJNZTVCZQLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153646
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCCCO1	SCHEMBL19772182,PC-id_134171002	491.667	NHNPSMVWMWNCLX-XNUZUHMRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153647
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CCCOC1	PC-id_134170703,SCHEMBL19771870	491.667	IMMJZEJQVIMLKB-FKSKYRLFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153648
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCCOC1	SCHEMBL19771869,PC-id_134170702	491.667	IMMJZEJQVIMLKB-XNUZUHMRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153649
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCOCC1	SCHEMBL18367936	491.667	MJIFJNZTVCZQLK-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153650
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)CC1CCOCC1	SCHEMBL18378810	491.667	MJIFJNZTVCZQLK-HSZRJFAPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153651
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CCCCO1	SCHEMBL18367922	491.667	NHNPSMVWMWNCLX-JPYJTQIMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153652
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CCCCO1	SCHEMBL18367928	491.667	NHNPSMVWMWNCLX-MBSDFSHPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153653
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CCCOC1	SCHEMBL18367916	491.667	IMMJZEJQVIMLKB-MBSDFSHPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153654
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CCCOC1	SCHEMBL18367917	491.667	IMMJZEJQVIMLKB-JPYJTQIMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153655
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)C(c1ccccc1)c1ccccc1	EMOLS-id_2243967,TIMTEC563699,ZINC22_16361013,PC-id_2957291,MCULE-1174755700,CoCoCo_1000731	491.668	YAPVLFWMHFLYRX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153656
O=C(N1Cc2c(C1(C)C)n(nc2Nc1nc(C)ccc1F)COCC[Si](C)(C)C)OC(C)(C)C	SCHEMBL3326169,PC-id_57519203	491.674	ZCUKADOEUCSPIV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-153657
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O	MCULE-7153227620	491.746	IRKBKDNCCNZEDA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153658
O=C(COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O)Nc1ccc(Cl)cc1	ZINC22_47154590	491.746	IRKBKDNCCNZEDA-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153659
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	TIMTEC63510,BAS-00354908,PC-id_3101961,SPECS-id_AT-225/NB93174,EMOLS-id_639228,MCULE-5763604887	491.816	AUUGNKQYVFAJPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153660
CCOC(=O)c1c(N[C@H](NC(=O)c2ccc(OC)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_1098565,CoCoCo_49047,ZINC22_822199	491.816	AUUGNKQYVFAJPW-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-153661
CCOC(=O)c1c(N[C@@H](NC(=O)c2ccc(OC)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_822200,CoCoCo_49046,PC-id_1098566	491.816	AUUGNKQYVFAJPW-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153662
Fc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC3)c3nncs3)n3CCCc23)cc1F	PC-id_139507407,SCHEMBL21378268,BindingDB-id_980755	491.898	RNOJDKRVKXLJJF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153663
n12ncnc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O	MCULE-5605523453	491.928	OEHLFGDUBKZTBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153664
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_47154588	491.928	OEHLFGDUBKZTBV-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153665
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4390806962	491.946	MSGYZEMSBOEFQI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-153666
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4856960064	491.946	HAFCGQPOQARWPY-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-153667
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-7585956713	491.946	HMFAPLSNZMJCPM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-153668
Cc1c(n2CC(Cc2c1C(=O)C(=O)I)F)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_163557282	491.955	FOEFGSVOMRDWNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153669
Brc1c2n(CCC2C(=O)O)c(c1Br)C(=O)c1c(Br)cccc1	SCHEMBL11007815,PC-id_20404991	491.957	MVNYUPPCPFSCEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153670
Brc1c(C(=O)c2n(c3c(OC(=O)C3)c2C)C)cc(Br)cc1Br	PC-id_18424141,SCHEMBL7674616	491.957	UKYKQGHFWNKSPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153671
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2ccccc2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_9862028,PC-id_16446683,ZINC22_8917174,MCULE-5943823011,CoCoCo_6265400,TIMTEC449728	491.968	SJKILDXJZWABJN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153672
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3F)n2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_9879123,PC-id_16453499,ZINC22_11913892,TIMTEC476766,MCULE-7714497718,CoCoCo_2237469	491.986	UHKRCTLCDNZLLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153673
Clc1ccc(C(=O)NC(CC(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_45647023	491.988	OUXVENLHYKZZEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153674
Clc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_51456782	491.988	OUXVENLHYKZZEA-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153675
Clc1ccc(C(=O)N[C@H](CC(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_51456783	491.988	OUXVENLHYKZZEA-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153676
c1(NC(=O)c2cc(on2)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8177746011,EMOLS-id_2647975,ZINC22_11915951,CoCoCo_2254922,PC-id_16455193,TIMTEC351528	491.989	ODUDUXSFFPCWSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153677
IC(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)I)P	SCHEMBL19312019	491.992	PRXMKVJSGUUNBH-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-153678
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1C)COc1ccccc1Cl	MCULE-8291929252,EMOLS-id_11844532,PC-id_16381310	492.014	MSCBFOQMCVJUFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153679
C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4173824,ZINC22_9219017,PC-id_40973128	492.014	MSCBFOQMCVJUFE-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153680
C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_40973127,ZINC22_9219016,CoCoCo_4173825	492.014	MSCBFOQMCVJUFE-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-153681
C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4176413,PC-id_40792256,ZINC22_8709664	492.014	SNHCZBCCBVWRMJ-NSHDSACASA-N	00000010100000110001000010000000000000000000000000000000	25-01-153682
C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_8709665,PC-id_40792257,CoCoCo_4176412	492.014	SNHCZBCCBVWRMJ-LLVKDONJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153683
Clc1ccc(c2n(CCOC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nn2)cc1	PC-id_3873924	492.014	ZJCIKWPCJOIPBL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153684
Clc1ccc(cc1)OCc1nnc(n1C)SC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C	MCULE-4285432154,EMOLS-id_13454868,PC-id_17560881	492.014	SNHCZBCCBVWRMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153685
Clc1ccc(OCCN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_24446433	492.031	FIAVOLPJZQOCPC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153686
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(C)ccc(c1Cl)F	PC-id_140883029	492.061	FEHSKWYXDCPPGA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153687
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(Cl)ccc(c1F)C	PC-id_140883002	492.061	IXPRHXCJBOLXPQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153688
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(F)ccc(c1Cl)C	PC-id_140882936	492.061	FTKHDDPSEFGJGT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153689
CC1=C(C(=O)C(=CN1C(C)C)C(=O)NCC2=CN3CCS(=O)C3=N2)C4=CC(=CC=C4)C(F)(F)F	PC-id_153689397	492.144	IUENOEUSJLANAD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-153690
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)/C(=C/N)/NN)C(=O)NC4=C(C(=C(C=C4)F)Cl)F	PC-id_149407283	492.149	YQNPKNVAWPSRKF-ZROIWOOFSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153691
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC(=CC=C3)N(C)C)C(=N1)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_165180384	492.176	UBPDJSXXGDKQHM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153692
CC(C1(CC=CC=C1)C(=O)O)NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC4=CC(=CC=C4)CF	PC-id_151949870	492.178	TWKNNNSHORISSY-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-153693
c1(c(Br)c(OC)c(c(OC)c1Br)OC)C(=O)Nc1sc2c(CCC2)n1	MCULE-6243329207,EMOLS-id_334662353	492.182	NMFOVWOVVVWVFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153694
CCC(C1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)C(=O)OC(C)(C)C)(F)F	PC-id_161579720	492.218	IJZLBQDEWYGEGG-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153695
Brc1nc(C(=O)Nc2n[nH]c3c2CN(C3)C(=O)OC(C)(C)C)c(nc1C(F)(F)F)N	PC-id_71533447,SCHEMBL16202374	492.25	YYSZGLHNICYBGS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-153696
C[C@@H]1[C@@H](CCCN1C2=CN=C(C(=N2)NC3=CN(N=C3)C)C(=O)N)NC(=O)C4=NN5CCC(C5=C4)(C)C	PC-id_149368177	492.271	YJGWBIXKNOVDSD-GDBMZVCRSA-N	00000010100010100001100010000000000000000000000000000000	25-01-153697
C[C@H]1CN([C@@H](CN1C(N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)OCCCOC)O)C)C	PC-id_163763158	492.297	LZYPITMDCOBHSS-VBIGTEDFSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153698
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=C(C=C5)C(C)C	PC-id_152217182	492.31	VYMLDAILJIFVAS-OYRHEFFESA-N	00000010100010110001100010000000000000000000000000000000	25-01-153699
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C(=C5)C)C)C	PC-id_152532981	492.31	YJXIUJMHCLESCG-SZPZYZBQSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153700
c1(NC(=O)c2ccccc2I)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336421,MCULE-7520194298	492.33	DGHQNMLINWQATE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-153701
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(Cl)c(Cl)c2)sc2CCCc2c1C#N	MCULE-2792189842,EMOLS-id_333645471	492.335	FQNILRNLNOSKNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153702
c1(NC(=O)COc2nonc2CC(=O)Nc2cc(Cl)cc(Cl)c2)sc2CCCc2c1C#N	EMOLS-id_333648528,MCULE-9888556143	492.335	VNWCQZSPCYQURB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153703
Fc1cc(Br)ccc1/C=c/1sc2nc(nn2c1=O)C(c1ccccc1)c1ccccc1	EMOLS-id_324822015	492.363	CSCLXOWVIGYJMQ-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153704
Fc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1Br	EMOLS-id_324823035	492.363	HTMUAJYXBHAVII-ZHZULCJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153705
n12c(=O)c(=Cc3ccc(Br)cc3F)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8674415197	492.363	CSCLXOWVIGYJMQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153706
n12c(=O)c(=Cc3ccc(c(Br)c3)F)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-2401871752	492.363	HTMUAJYXBHAVII-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153707
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337957,MCULE-4511901771	492.375	QRNFWPNZJIGTHY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-153708
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1OC	EMOLS-id_324846839	492.375	OTWBDRXZJQHQMC-GRSHGNNSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153709
CCOc1cc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)ccc1O	EMOLS-id_324917249	492.375	XWNMABASRBPMQI-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153710
CCOc1cc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)ccc1OC	EMOLS-id_324911117	492.375	QVYZUSKMBSGQFS-GRSHGNNSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153711
CCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1OCC	EMOLS-id_324845815	492.375	HIJMQICWWYECGX-GRSHGNNSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153712
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1OC	EMOLS-id_324913165	492.375	VUBJAKLHGBHGDG-GRSHGNNSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153713
CCOc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1O	EMOLS-id_324915204	492.375	BWWOJHODYYSBHW-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153714
Clc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)ccc1Cl	PC-id_16948058	492.375	XVONQRQQKXRPEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153715
COc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1OC	EMOLS-id_324915713	492.375	NSFAUQUSYZZCNI-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153716
COc1cccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1OC	EMOLS-id_324916740	492.375	QELSMDVEIHDWAT-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153717
COc1ccc(OC)c(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)c1	EMOLS-id_324917252	492.375	FLKSVWNZKLQRPM-ODLFYWEKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153718
n12c(=O)c(=Cc3ccc(OCC)c(OC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-6634604765	492.375	VUBJAKLHGBHGDG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153719
n12c(=O)c(=Cc3ccc(OC)c(OCC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-1969490188	492.375	QVYZUSKMBSGQFS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153720
n12nc(nc1sc(=Cc1cc(ccc1OC)OC)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6935463237	492.375	FLKSVWNZKLQRPM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153721
n12nc(nc1sc(=Cc1cccc(OC)c1OC)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-4810513995	492.375	QELSMDVEIHDWAT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153722
n12nc(nc1sc(=Cc1cccc(OCC)c1O)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-7749484758	492.375	BWWOJHODYYSBHW-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153723
n12nc(nc1sc(=Cc1ccc(OCCC)c(OC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8095038578	492.375	OTWBDRXZJQHQMC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153724
n12nc(nc1sc(=Cc1ccc(OCC)c(OCC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-8355078866	492.375	HIJMQICWWYECGX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153725
n12nc(nc1sc(=Cc1ccc(OC)c(OC)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-3917561859	492.375	NSFAUQUSYZZCNI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153726
n12nc(nc1sc(=Cc1ccc(O)c(OCC)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2758991834	492.375	XWNMABASRBPMQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153727
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3c(C)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324912650	492.401	MVIVPDNQDBPEPW-APSNUPSMSA-N	00000000100000110001000110000000000000000000000000000000	25-01-153728
n12c(=O)c(=Cc3c(C)nc4scc(C)n34)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5626438211	492.401	MVIVPDNQDBPEPW-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-153729
Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)c1	CoCoCo_4626364,ZINC22_25768682,MCULE-6280837751,EMOLS-id_29994465,PC-id_33040368	492.409	AOKUNEJGOLJOTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153730
Cc1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)nc1c1ccc(Br)cc1	EMOLS-id_328223354,MCULE-4778603230	492.431	XUXVKTSLIQORQK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153731
Brc1cc(Nc2sc(SCC(=O)Nc3sc4CCCc4c3C#N)nn2)ccc1	PC-id_24524212	492.436	NILXUIQEASDDHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153732
CCC(C(=O)Nc1nc(C)c(s1)n1ccc(n1)C(F)(F)F)n1nc(c2CCCc12)C(F)(F)F	MCULE-3108893780,PC-id_19591244,EMOLS-id_8868032	492.441	KNIALJKNWNFJSM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-153733
CC[C@@H](C(=O)Nc1nc(C)c(n2ccc(C(F)(F)F)n2)s1)n1nc(C(F)(F)F)c2c1CCC2	PC-id_29092469,ZINC22_20607556	492.441	KNIALJKNWNFJSM-NSHDSACASA-N	00000010100000000001100010000000000000000000000000000000	25-01-153734
CC[C@H](C(=O)Nc1nc(C)c(n2ccc(C(F)(F)F)n2)s1)n1nc(C(F)(F)F)c2c1CCC2	ZINC22_20607557,PC-id_29092470	492.441	KNIALJKNWNFJSM-LLVKDONJSA-N	00000010100000000001100010000000000000000000000000000000	25-01-153735
CC(Oc1ccc(cc1[N+](=O)[O-])OC(F)(F)F)CN(Cc1ccccc1)C[C@H]1Cn2c(O1)ncc2	PC-id_69479954,SCHEMBL5537876	492.448	LYXZIOKNZWRJIQ-CVMIBEPCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153736
FC(F)(F)Oc1ccc(OCCN(C[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)Cc2ccccc2)cc1	SCHEMBL5537874,PC-id_69479952	492.448	SOXCNHDMGFFBLG-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153737
FC(F)(F)Oc1ccc(OCCN(CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)Cc2ccccc2)cc1	SCHEMBL5537882,PC-id_23081583	492.448	SOXCNHDMGFFBLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153738
FC(F)(F)Oc1cc([N+](=O)[O-])c(OC(CN(CC2Oc3n(C2)ccn3)Cc2ccccc2)C)cc1	PC-id_77659559	492.448	LYXZIOKNZWRJIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153739
Brc1cc(c(OCCC(C)C)cc1)C(=O)NC(=S)Nc1sc2CCCc2c1C#N	PC-id_17351141	492.452	QNDDLIRRDYCIGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153740
Brc1c(OCCC(C)C)ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	PC-id_17339774	492.452	RKCPZJDNPBTPDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153741
FC(CC1=C(C(c2n1nc(c2C(=O)c1ccccc1)C(F)(F)C(F)(F)F)(C)C)C)c1ccccc1	PC-id_16080294	492.456	PLZTUUFFWFMYPV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-153742
CCOC(c1c(C)c(c2n1CCC2)C(=O)C(=O)NC1(C#N)CC(C1)(F)F)Nc1ccc(c(c1)F)F	PC-id_142295086	492.466	YVTHQCNNCRSPEN-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-153743
c1(c2CCCc2sc1NC(=O)CCN(CCC)CCC)C(=O)Nc1ccc(cc1)Br	CoCoCo_6724262,MCULE-6890957326,EMOLS-id_2785832,TIMTEC499847,ZINC22_8919228,PC-id_3709663	492.472	VHFKORXYQVHZAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153744
CCCCCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)Cl)Cl	PC-id_20528177,SCHEMBL11270107	492.478	CKDWSLGTYXLSPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153745
CNCOCC1(NC(=O)C(=O)c2c(C)c(c3n2CCC3)C(=O)Nc2ccc(cc2)F)CC(C1)(F)F	PC-id_139525374,SCHEMBL21398668	492.491	IRPWWBSAZXRGDR-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-153746
CC(CCN1Cc2cc(cn2C1=O)C#CC#CCOC(=O)N1CC(C1)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315192,SCHEMBL20484629	492.502	FBFSIMSPQJMRIX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-153747
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCOC(=O)N1CC(C1)O)C	PC-id_140904875	492.502	FBFSIMSPQJMRIX-OAQYLSRUSA-N	00001010100000000001000010000000000000000000000000000000	25-01-153748
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C#N	MCULE-4959127330,EMOLS-id_323180439	492.504	JIZCSBXSNBVIHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153749
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(c(OC)c2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-1112899306,EMOLS-id_323210415	492.504	LLSQZWXLVWPIFY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153750
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2)C(=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_321771517,MCULE-8161808526	492.504	GKZFINMRELKZAY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153751
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccccc2C(=O)OC)sc2c(CCC2)c1C#N	MCULE-2319324192,EMOLS-id_321771773	492.504	GBCWWUMTPHBPBY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153752
c1(NC(=O)COc2cccnc2NC(=O)Nc2cccc(c2C)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321904880,MCULE-5591760664	492.507	LIGFLUDUJIUAAF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153753
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(c(C)c2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321904383,MCULE-3079649408	492.507	BKVPPPKSZUQAAR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153754
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(C)ccc(c2)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-8978934192,EMOLS-id_321904124	492.507	BUCBESGNOLIWDB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153755
CCOc1cc(=O)n(C)cc1c1cc(NCc2cn3CCCc3n2)ccc1Oc1ccc(F)cc1F	BindingDB_PC-id_118116652,BindingDB-id_428502,PC-id_118116652,SCHEMBL16766083	492.517	DHSUSMYODOWJEZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-153756
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CN(C1)C1COC1)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485345,PC-id_135315813	492.521	KZQNTCPZRNMCRW-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-153757
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(F)CN(C1)C1COC1)C	SCHEMBL20485343	492.521	KZQNTCPZRNMCRW-OAQYLSRUSA-N	00001010100000000001100010000000000000000000000000000000	25-01-153758
N#Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])sc2c1CCC2	ZINC22_13074558,MCULE-7452747440,CoCoCo_2833694,PC-id_16270948,EMOLS-id_11669994	492.525	LQVVKFGDOFXCCD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153759
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C	PC-id_140963670	492.527	SPVVUJSOJHSVTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153760
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(OC(F)F)cccc1	PC-id_31276771	492.535	WKUKYJRVIUYWLD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153761
c1(NC(=O)C(C)Sc2nc(c3ccccc3)cc(n2)C(F)(F)F)sc2c(CCC2)c1C(=O)N	BAS-03153552,PC-id_2945351,CHEMBL1451133,TIMTEC536337,SPECS-id_AP-906/42285875,ChEMBL-DNDi_CHEMBL1451133,MCULE-9871154685,EMOLS-id_1419865	492.537	WWDBLFRXSZLAJH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153762
C[C@H](Sc1nc(c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_2172038,CoCoCo_280182,ZINC22_2799003	492.537	WWDBLFRXSZLAJH-NSHDSACASA-N	00000010100000110001100010000000000000000000000000000000	25-01-153763
C[C@@H](Sc1nc(c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_2172039,ZINC22_2799004,CoCoCo_280181	492.537	WWDBLFRXSZLAJH-LLVKDONJSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153764
C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(C(=O)c2ccccc2OC(F)F)CC1	CoCoCo_4683627,ZINC22_30265833,PC-id_37450957	492.539	KLWYXNGDFKLCLS-CYBMUJFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153765
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CCN(C(=O)c2ccccc2OC(F)F)CC1	PC-id_37450960,ZINC22_30265836,CoCoCo_4683628	492.539	KLWYXNGDFKLCLS-ZDUSSCGKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153766
FC(Oc1ccccc1C(=O)N1CCN(CC1)C(C(=O)Nc1sc2c(c1C(=O)N)CCC2)C)F	EMOLS-id_44066237,PC-id_45869721,MCULE-3816569476	492.539	KLWYXNGDFKLCLS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153767
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)sc2c1CCC2	ZINC22_8728495,EMOLS-id_12021393,MCULE-6264113172,CoCoCo_3103684,PC-id_17437811	492.544	UDUKCSQVPCXINN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153768
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(C(=O)N(c2ccccc2)C)cccc1)C(=O)OC	PC-id_45650833	492.544	INUHUSJNFZPHJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153769
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(c2ccccc2)cc1)C(=O)OC	PC-id_41577507	492.544	RCTLQMJVNRPSJL-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-153770
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CC(CO)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315183,SCHEMBL20484618	492.545	FSWPWOIWGVGZPN-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-153771
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C[C@H](CO)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484616,PC-id_135315182	492.545	FSWPWOIWGVGZPN-DENIHFKCSA-N	00001010100000000001000010000000000000000000000000000000	25-01-153772
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccc(cc2OC)OC)sc2c(CCC2)c1C#N	EMOLS-id_321807730,MCULE-1922179392	492.547	KGNKNMGRDRACED-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153773
c1(NC(=O)COc2cccnc2NC(=O)Cc2ccc(OC)c(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_321804671,MCULE-4771495453	492.547	HBSCPHPAHMNCDT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153774
c1(NC(=O)COc2cccnc2NC(=O)COc2ccc(cc2)OCC)sc2c(CCC2)c1C#N	MCULE-8053072014,EMOLS-id_321804925	492.547	IFUNBARIQANXEC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153775
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)c2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333689127,MCULE-2131451752	492.55	VRZWRTLOGWZQTF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153776
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)N2CCCC2)sc2CCCc2c1C#N	EMOLS-id_333648274,MCULE-4743092414	492.55	STNSLJYIIDUMDK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153777
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-5560375747,EMOLS-id_333661132	492.55	NLWOSFAKLSBPDB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153778
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)N2CCCCC2)sc2CCCc2c1C#N	MCULE-5448616200,EMOLS-id_333678582	492.55	WLXOMYQLIXQLKM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153779
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1sc2c(n1)CN(C2)Cc1ccc(cc1)C(F)F	SCHEMBL19772017,PC-id_134170847	492.562	RTQVCKLNKCTFKH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-153780
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CC=C)sc2CCCc2c1C#N	MCULE-6057837286,EMOLS-id_332715073	492.565	XHDOTZCOMXGJSD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153781
C[C@@](CCN1Cc2cc(C#Cc3ccc([C@H](O)CO)cc3)sc2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4451066	492.565	IRNDSBVEILVINY-XMSQKQJNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153782
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2NC(=O)C1CC1)OC	SCHEMBL20579932,PC-id_137355468	492.565	HVXYMEIFISZOQT-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153783
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C1CC1)OC	PC-id_137355628,SCHEMBL20580118	492.565	IMDHESZOGSHYMP-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153784
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2NC(=O)C1CC1)OC	PC-id_137355467,SCHEMBL20579931	492.565	HVXYMEIFISZOQT-OAHLLOKOSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153785
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C1CC1)OC	PC-id_137355626,SCHEMBL20580116	492.565	IMDHESZOGSHYMP-OAHLLOKOSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153786
CCOC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)sc2c1CCC2	CoCoCo_3104258,PC-id_16290171,ZINC22_9670446	492.565	QIYPNCWMVGYDIN-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153787
CCOC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_3104259	492.565	QIYPNCWMVGYDIN-QXMHVHEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153788
CCOC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)C=Cc2ccccc2)sc2c1CCC2	MCULE-3516462840,PC-id_72091930	492.565	QIYPNCWMVGYDIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153789
s1c2c(CCC2)c(c1NC(=O)COCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_4175456	492.565	JUGWERHOIRXOKY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-153790
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_16947318	492.565	CMMOSVTVIVSOQL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153791
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_16527381	492.565	ISASZTOMRIVXCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153792
S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_45681356	492.565	ZLPNOKVAQXGJCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153793
S(=O)(=O)(NC1CC1)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_30810911	492.565	HZDFKPVCEYXECQ-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153794
S(=O)(=O)(N1CCC(CC1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1cccnc1	PC-id_46602491	492.568	RIUJPXGCIHYNIG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-153795
CC1(c2c(CN1C(=O)OC(CN(C)C)c1ccccn1)c(n[nH]2)NC(=O)Cc1ccc(cc1)OC)C	PC-id_89801164,SCHEMBL15252836	492.57	RKZVFGYWPMKSEF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-153796
COc1ccc(cc1)CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)O[C@@H](c1ccccn1)CN(C)C	PC-id_58015603,SCHEMBL12879388	492.57	RKZVFGYWPMKSEF-OAQYLSRUSA-N	00000010100000111001000010000000000000000000000000000000	25-01-153797
O=C(OC1CCn2c1ncc2)NCCCc1cccc(c1)CCCNC(=O)OC1CCn2c1ncc2	SCHEMBL19220265	492.57	DEPXORSRJIDAKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153798
O=C(OC1CCn2c1ncc2)NCCCc1ccccc1CCCNC(=O)OC1CCn2c1ncc2	SCHEMBL19220293	492.57	GYWFBFSYXDPHSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153799
O=C(OC1CCn2c1ncc2)NCCCc1ccccc1CCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220266	492.57	GYWFBFSYXDPHSN-ZMFCMNQTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153800
O=C(O[C@@H]1CCn2c1ncc2)NCCCc1cccc(c1)CCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220291	492.57	DEPXORSRJIDAKX-FGZHOGPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153801
O=C(O[C@@H]1CCn2c1ncc2)NCCCc1ccccc1CCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19223284	492.57	GYWFBFSYXDPHSN-FGZHOGPDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153802
O=C(N1C(c2[nH]nc(NC(=O)c3ccc(N4CCN(CC4)C)cc3)c2C1)(C)C)Nc1c(onc1C)C	PC-id_24945903	492.573	LPTAWQFBCMGKHX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153803
CCS(=O)(=O)c1ccc(c(c1)C(=O)N1Cc2c(C1)cn(n2)CC1CCC1)N1CCC(CC1)(F)F	SCHEMBL17214224,PC-id_118479376	492.582	GSGPBPGJBPCJMX-UHFFFAOYSA-N	00001010100010110001100010000000000000000000000000000000	25-01-153804
CCOC(=O)c1c(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)sc2CCCc12	EMOLS-id_327932922,MCULE-8229623958	492.587	DOWVPLWBHLFBDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153805
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC(=O)NCCOC)C1	PC-id_44052995	492.588	ZJUXZMUJBQLSHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153806
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)CC)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16455513,EMOLS-id_9874020,TIMTEC349293,MCULE-6199962084	492.59	OBJBMXCOLNYNMM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153807
c1(NC(=O)COc2cn(c(cc2=O)C)CC(N(C)C)c2ccc(cc2)O)sc2CCCc2c1C#N	EMOLS-id_331629509,MCULE-2518530932	492.59	BGSUCZAFISCWJD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153808
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-9376634456,EMOLS-id_331927824	492.59	PFGXCRMPMXLOFR-UHFFFAOYSA-N	00000010101010101000000010000000000000000000000000000000	25-01-153809
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332715334,MCULE-1202505817	492.59	CGNBZIXLVBKEKB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153810
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332717127,MCULE-5666945249	492.59	LOXORHPRVQNSJO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153811
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCO)sc2CCCc2c1C#N	EMOLS-id_332718400,MCULE-2103448887	492.59	NQVVKWZXIAGNMN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153812
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCO)sc2CCCc2c1C#N	MCULE-4523857679,EMOLS-id_332717646	492.59	OYJCBOBWLBMVLM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153813
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCCO)sc2CCCc2c1C#N	MCULE-8606603367,EMOLS-id_332716617	492.59	NEGLNMNQQWZCIN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153814
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCCO)sc2CCCc2c1C#N	MCULE-9213165014,EMOLS-id_332714315	492.59	RDPRJFWUHGGUKA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153815
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)c1cc(OC)ccc1	PC-id_16947956	492.59	YAKOKPGQKFDXRQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153851
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCOC)sc2CCCc2c1C#N	EMOLS-id_332710988,MCULE-2460522965	492.59	XIZXPSDRJBTMOS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153816
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCOC)sc2CCCc2c1C#N	EMOLS-id_332713290,MCULE-8650777390	492.59	AYWYXEHKIOJMMN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153817
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCOC)sc2CCCc2c1C#N	MCULE-2420271419,EMOLS-id_332710991	492.59	CASPFAUUJHEWIQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153818
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCC)sc2CCCc2c1C#N	EMOLS-id_332710727,MCULE-6386716592	492.59	SIWCJIFCEKJEBB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153819
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CC)sc2CCCc2c1C#N	EMOLS-id_332716355,MCULE-2994507866	492.59	PZDRGFPDINVFQC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153820
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCO)sc2CCCc2c1C#N	EMOLS-id_332718912,MCULE-2250439162	492.59	LWESCSZJFSDBTH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153821
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCO)sc2CCCc2c1C#N	EMOLS-id_332719168,MCULE-3445022615	492.59	DTDKSAFCQGRWHY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153822
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCCO)sc2CCCc2c1C#N	MCULE-6575575944,EMOLS-id_332717130	492.59	CGYRQTGCFHHQCP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153823
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CC(C)O)sc2CCCc2c1C#N	MCULE-7672311238,EMOLS-id_332715847	492.59	BMINBHPIJIZNQU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153824
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCO)sc2CCCc2c1C#N	MCULE-8773731261,EMOLS-id_332719424	492.59	ZBKITROQRMKCAN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153825
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCOC)sc2CCCc2c1C#N	EMOLS-id_332713803,MCULE-1539217885	492.59	NLVXRWJIHCQLED-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153826
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCO)sc2CCCc2c1C#N	EMOLS-id_332715342,MCULE-4605872253	492.59	NVVKQPJMBKUBGZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153827
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCO)sc2CCCc2c1C#N	MCULE-6990452883,EMOLS-id_332716622	492.59	LROSBELOKYZASG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153828
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCC)sc2CCCc2c1C#N	MCULE-4712208045,EMOLS-id_332709960	492.59	AZAFBYOLOAPQSK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153829
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CC)sc2CCCc2c1C#N	MCULE-9143312379,EMOLS-id_332714566	492.59	QNJBZZDNZSNGTQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153830
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCO)sc2CCCc2c1C#N	EMOLS-id_331928606,MCULE-2987416104	492.59	KDBCSMHBRPKDDU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153831
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccc(OC)cc2)sc2CCCc2c1C#N	MCULE-3919456097,EMOLS-id_331928351	492.59	UZAUDXVXVTVLMG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153832
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-7059146353,EMOLS-id_331923985	492.59	OJIXXNZVRQDNPB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153833
CCc1ccc(n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)n2)cc1	ZINC22_11916569,PC-id_42279609,CoCoCo_6309798	492.59	OBJBMXCOLNYNMM-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153834
CCc1ccc(n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)n2)cc1	ZINC22_11916571,PC-id_42279611,CoCoCo_6309799	492.59	OBJBMXCOLNYNMM-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153835
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)cc1	EMOLS-id_324851958	492.59	OWXIPZIPHWGJKT-XLNRJJMWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153836
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)cc1	EMOLS-id_324871176	492.59	QNLPDHIZKNZKLM-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-153837
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)cc1	EMOLS-id_324877322	492.59	QMGRLXAAMHADBE-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153838
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)cc1	EMOLS-id_324879373	492.59	JWOCUGVACHOYBJ-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153839
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4ccc(CC)cc4)nn3c2=O)cc1	EMOLS-id_324885519	492.59	CMVFGSCKUMODKX-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153840
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4cccc(CC)c4)nn3c2=O)cc1	EMOLS-id_324886537	492.59	TVCZMEVVCOTCPH-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153841
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)CCCOc1ccccc1	MCULE-2546897073	492.59	OWXIPZIPHWGJKT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153842
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1cc(C)ccc1C	MCULE-4014258546	492.59	JWOCUGVACHOYBJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153843
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1cccc(C)c1C	MCULE-5197215027	492.59	QMGRLXAAMHADBE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153844
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1c(C)cccc1C	MCULE-5352212931	492.59	QNLPDHIZKNZKLM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153845
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1ccc(CC)cc1	MCULE-5188608991	492.59	CMVFGSCKUMODKX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153846
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1cccc(CC)c1	MCULE-6788553682	492.59	TVCZMEVVCOTCPH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153847
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C=C/c1c(n(nc1C)Cc1ccc(cc1)C)C)C(=O)N	PC-id_41922865	492.59	UBXDTEDMOFDAGX-VAWYXSNFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153848
s1c2c(CCC2)c(c1NC(=O)COC(=O)C=Cc1c(n(nc1C)Cc1ccc(cc1)C)C)C(=O)N	PC-id_74772344	492.59	UBXDTEDMOFDAGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153849
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_16947829	492.59	UKBAJWIQBXNAKC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153850
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)c1c(OC)cccc1	PC-id_16947830	492.59	SYXHWOJTPYFRHM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153852
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)c1ccccc1	PC-id_16947980	492.59	IVXVHIBDSWKUJL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153853
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053855	492.59	ZNYIBIVAGIXAFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153854
c1(NC(=O)C(C)Sc2nnc(NC(=O)c3ccco3)s2)sc2c(CCC2)c1C(=O)OCC	MCULE-7671443715,EMOLS-id_5479893,PC-id_4072906	492.592	XMGMEQBWLJVZDO-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-153855
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)c3ccco3)s2)sc2c1CCC2	PC-id_41072520,ZINC22_9444110,CoCoCo_5021967	492.592	XMGMEQBWLJVZDO-SNVBAGLBSA-N	00000010101000000001000010000000000000000000000000000000	25-01-153856
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)c3ccco3)s2)sc2c1CCC2	PC-id_41782211,ZINC22_11024256,CoCoCo_5021966	492.592	XMGMEQBWLJVZDO-JTQLQIEISA-N	00000010101000000001000010000000000000000000000000000000	25-01-153857
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331925787,MCULE-3539184377	492.593	NWGFKZVUAAQRNA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-153858
s1c2CCCc2c(c1NC(=O)CN(c1c(n(CCCC)c(=O)[nH]c1=O)N)Cc1ccccc1)C#N	PC-id_30871040	492.593	XGHZFFSFIUDJHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153859
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)sc2c(CCC2)c1C(=O)OCC	PC-id_41833879,ZINC22_11131833,MCULE-5130308305,EMOLS-id_30139989	492.608	XYAUDKUIYQEDIL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153860
CCOC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)sc2CCCc12	PC-id_4140449,EMOLS-id_2923893,MCULE-6101213036	492.608	OFAXMAASOWVMBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153861
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCC2	CoCoCo_5021713,PC-id_2316473,ZINC22_3183145	492.608	OFAXMAASOWVMBV-HUUCEWRRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153862
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2c1CCC2	ZINC22_18043385,CoCoCo_5021712,PC-id_2316472	492.608	OFAXMAASOWVMBV-GASCZTMLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153863
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCC2	ZINC22_3183146,CoCoCo_5021714,PC-id_2316474	492.608	OFAXMAASOWVMBV-GJZGRUSLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153864
CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc(C(=O)N(CC)CC)c1C	PC-id_4331506,CoCoCo_2840768,MCULE-6728133197,ZINC22_14356653,EMOLS-id_3178960	492.608	CZYNWWVRGCQFIY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-153865
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(OC)cc1	PC-id_16862849	492.608	QCGMUGJVSIISIU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153866
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_16833601	492.608	VAHMKNYSRAJQAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153867
COC(=O)c1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CCC2	ZINC22_408573310	492.61	AXSHWSUFKWFKAY-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-153868
COC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CCC2	ZINC22_408573315	492.61	AXSHWSUFKWFKAY-VWLOTQADSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153869
CCCCCCNC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	PC-id_56633555,SCHEMBL11233851	492.612	AKQYQSGUYSLWEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153870
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c([N+](=O)[O-])c1	MCULE-7417336094,CoCoCo_3213338,ZINC22_13129006,PC-id_4784124,EMOLS-id_43811046	492.612	CLXUBYTVWOFFNC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153871
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(N2CCOCC2)nn1)C(=O)N	PC-id_16585638	492.615	WFIZNIQDSJSNIU-UHFFFAOYSA-N	00000010100010000001100010000000000000000000000000000000	25-01-153872
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329519,MCULE-8208498286	492.63	RCYOQTAPNDLULP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153873
c1(NC(=O)C(=Cc2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-8224389200	492.631	PXBXYIVNFXPOMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153874
O=C(Nc1sc2CCCc2c1C(=O)NCCc1ccccc1)/C(=Cc1ccccc1)/c1ccccc1	EMOLS-id_334330790	492.631	PXBXYIVNFXPOMN-QLYXXIJNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153875
S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_24043286	492.651	AIOKFJZBUATFQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153876
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)CC1CNCCO1	SCHEMBL19772031,PC-id_134170861	492.655	UFNQQZNMWUGFBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153877
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)CC1CNCCO1	SCHEMBL18367998	492.655	UFNQQZNMWUGFBV-LFABVHOISA-N	00000010100010110001000010000000000000000000000000000000	25-01-153878
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCc2ccc(OC)cc2)nn1)C(=O)N	PC-id_24497704	492.658	FOKJRHJYBXLGIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153879
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CN1CCCCC1)Cc1ccccc1)C#N	PC-id_24521470	492.659	AOJAFXOEBQZKKI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153880
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](CC)(C)C)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_140817111	492.684	PLQJBTNJCVKNOR-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-153881
Clc1c(nc(Cl)c(Cl)c1N)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_4429005	492.761	ZVFAEHPEWMOBJT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-153882
Cc1cccc(C)c1OCc1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324871693	492.773	ODMAIWNTOYUONB-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-153883
Cc1ccc(C)c(OCc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)c1	EMOLS-id_324883970	492.773	AKFMLWNCENLOSU-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153884
Cc1cccc(OCc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)c1C	EMOLS-id_324877839	492.773	JZPMNNKFXLJHBL-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153885
CCc1cccc(OCc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)c1	EMOLS-id_324887054	492.773	RRONJWOIEBQBBD-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153886
CCc1ccc(OCc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)cc1	EMOLS-id_324890116	492.773	BYUBOXUJRJAFJV-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153887
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)CCCOc1ccccc1	MCULE-9894090507	492.773	LYMWFNMEQZWBDE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153888
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1ccc(cc1)CC	MCULE-7724889812	492.773	BYUBOXUJRJAFJV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153889
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1cc(C)ccc1C	MCULE-5376973280	492.773	AKFMLWNCENLOSU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153890
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1c(C)cccc1C	MCULE-7805534880	492.773	ODMAIWNTOYUONB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153891
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1cccc(C)c1C	MCULE-8097696391	492.773	JZPMNNKFXLJHBL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153892
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1cccc(CC)c1	MCULE-2146125449	492.773	RRONJWOIEBQBBD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153893
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(CCCOc3ccccc3)nn2c1=O	EMOLS-id_324852475	492.773	LYMWFNMEQZWBDE-YBEGLDIGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153894
C1Cc2nnc(n2C1C(=O)NCCc1ccc(cc1)Cl)CNC(=O)c1c(cc(cc1)Cl)Cl	PC-id_134789698	492.785	PRBYHIITKJOEQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153895
Clc1c(F)c(C(=O)Nc2sc3c(c2C(=O)N2CC(OC)C2)C(OC3)C)c(cc1)C(F)(F)F	SCHEMBL2162079,PC-id_24772541	492.872	SANMNHGUBFIBKW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-153896
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)Cl	SCHEMBL20539498,PC-id_135361049	492.878	ZJQRQORVTOYWFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153897
Clc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740038	492.878	DPBJBKBIFMMZCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153898
Clc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740036	492.878	DPBJBKBIFMMZCN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153899
Clc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758531	492.878	ZJQRQORVTOYWFL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153900
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1Cl)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18739998	492.878	HASAILUFSKVIJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153901
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1Cl)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18739996	492.878	HASAILUFSKVIJM-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153902
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N)C)Cl	SCHEMBL20252972,PC-id_134599071	492.903	XEVLLYCXKDFNJQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-153903
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)/C(=C/NN)/N)C(=O)Nc1cc(c(cc1F)F)Cl	SCHEMBL19920804,PC-id_134303079	492.906	QCUOJZPSZNMVGA-SXGWCWSVSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153904
F[C@@H]1Cc2n(C1)c(c(c2C(=O)C(=O)NC1(CC1)C1CNNN1)C)C(=O)Nc1ccc(c(c1)Cl)F	PC-id_146047450	492.906	GGRSDDQPDSDXQP-ZVDHGWRTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-153905
NN/C=C(/C1(CC1)NC(=O)C(=O)c1c(C)c(n2c1CC(C2)F)C(=O)Nc1ccc(c(c1)Cl)F)N	PC-id_142295158	492.906	JZUNMCKLWDHJLK-PXNMLYILSA-N	00100010100000110000000010000000000000000000000000000000	25-01-153906
Clc1c(N2C[C@H](N(CC2)C(=O)[O-])C(C)(C)C)ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	SCHEMBL6010900,PC-id_69635442	492.933	ZBPSDPJIYQMRDJ-LBOXEOMUSA-M	00000010100010110001100010000000000000000000000000000000	25-01-153907
Clc1c(N2CC(N(CC2)C(=O)[O-])C(C)(C)C)ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	PC-id_69635438,SCHEMBL6010897	492.933	ZBPSDPJIYQMRDJ-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-153908
NC(=O)c1c(NC(=O)COC(=O)CSc2nnc(c3ccc(Cl)cc3)o2)sc2c1CCC2	ZINC22_2637242,CoCoCo_2836572,MCULE-1221108671,EMOLS-id_3206919,ChEMBL-DNDi_CHEMBL1608093,PC-id_2100008	492.956	VFZGTUFHTLYDMA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153909
Clc1cc(C(=O)/N=c/2sc3C(OC(c3n2Cc2c(F)cc(F)cc2)(C)C)(C)C)c(OC)cc1	PC-id_25127933,SCHEMBL3673467	492.966	PSGYUCGORMEOSN-SLMZUGIISA-N	00000010100000110001000010000000000000000000000000000000	25-01-153910
Clc1ccc(C(NC(=O)C)CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_55380230	492.972	QNPVVUCQLQUWAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153911
Clc1c(C(=O)NC(C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_45700363	492.972	XQXYHGVPFMKLOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153912
Clc1c(C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_51580716	492.972	XQXYHGVPFMKLOH-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-153913
Clc1c(C(=O)N[C@H](C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_51916421	492.972	XQXYHGVPFMKLOH-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153914
Clc1c(OC)c(OCC)cc(/C=C/C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c1	PC-id_24498272	492.972	BXZPKKAQJLXKSR-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153915
Clc1c(OC)c(OCC)cc(C=CC(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c1	PC-id_74287740	492.972	BXZPKKAQJLXKSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153916
c1(NC(=O)COC(=O)C=Cc2ccc(cc2)OCc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	MCULE-7811176055,PC-id_3570045	492.974	YMNFLQKLYYMOOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153917
Clc1ccc(COc2ccc(/C=C/C(=O)OCC(=O)Nc3sc4CCCc4c3C#N)cc2)cc1	ZINC22_1910650,EMOLS-id_207122742,PC-id_1642400,CoCoCo_5224527	492.974	YMNFLQKLYYMOOZ-MDWZMJQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-153918
N#Cc1c(NC(=O)COC(=O)/C=Cc2ccc(cc2)OCc2ccc(cc2)Cl)sc2c1CCC2	CoCoCo_5224528	492.974	YMNFLQKLYYMOOZ-JYRVWZFOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153919
CCOC(=O)c1c(NC(=O)CSc2nc(c3cc(Cl)ccc3OC)n[nH]2)sc2c1CCC2	CoCoCo_3120587,CoCoCo_3120584,EMOLS-id_3193623,CoCoCo_3120585,MCULE-2434206870,ZINC22_2636922,PC-id_2099661,CoCoCo_3120586	492.999	XBXRXSIZNGKJJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153920
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)c(OC)cc1	PC-id_19731482	492.999	DDIAXGWGVCBOJR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153921
Clc1ccc(OCc2nc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)n[nH]2)cc1	PC-id_29344932	492.999	XVDWSGYOVYZTHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153922
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19733384	492.999	UFELJHFEHNSVPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153923
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cccc1	PC-id_17304954	492.999	LHMZEGFYYOTSRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153924
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2C)C)c(F)ccc1	PC-id_20167029	493.017	VYSFVJKWSLMHIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153925
c1(c2CCCc2sc1NC(=O)CN1CCN(CC1)CCO)C(=O)Nc1c(OC)ccc(Cl)c1	ZINC22_22939046,CoCoCo_6723797,CoCoCo_6723798,MCULE-6812458825,TIMTEC472511,EMOLS-id_2785190,PC-id_3697711	493.019	UCSSZXSRJAJNQU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153926
CC(CC=C(C)Cl)C(=O)C=CC1C(Cc2c1cc(o2)CCCCC(=O)OC)OC1CCCCO1	PC-id_88699206	493.032	SXVILHYFPBWIHF-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153927
ClC(=CCC(C(=O)C=C[C@H]1[C@H](OC2OCCCC2)Cc2oc(cc12)CCCCC(=O)OC)C)C	PC-id_57300251,SCHEMBL10990554	493.032	SXVILHYFPBWIHF-KPJDZYLRSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153928
COC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)OC1CCCCO1)/C=C/C(=O)C(C/C=C(Cl)/C)C	SCHEMBL10963381	493.032	SXVILHYFPBWIHF-YNJVCBEKSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153929
COC(=O)CCCCc1oc2c(c1)[C@H]([C@@H](C2)OC1CCCCO1)/C=C/C(=O)[C@H](C/C=C(/Cl)C)C	SCHEMBL10990550	493.032	SXVILHYFPBWIHF-VMBBWGFTSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153930
Clc1ccc(S(=O)(=O)NC2CCN(CC2)CCC(=O)Nc2sc3c(CCC3)c2C#N)cc1	PC-id_56208302	493.042	BRFRWZWDPOEQPY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153931
CC[C@@H]1CN(C2=C(C(=NN12)I)C(=O)OCC)CC3=CC(=CC=C3)C(F)(F)F	PC-id_162229844	493.047	CVQRQIBVSWNALH-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153932
Clc1cccc(c1)OC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19537140	493.062	ARNCYAGIYQWWHZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153933
Clc1ccc(cc1)OC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19537439	493.062	ONEDMUAPSYFRJW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153934
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C(Oc1ccccc1Cl)C	SCHEMBL19537441	493.062	ZKZHSJOWVUAWAM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153935
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)C(C)(C)C#N	PC-id_134166981,SCHEMBL19767321	493.063	NCSMFROIJTWTSJ-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153936
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccccc1Cl	PC-id_16038016,NSC736213,CHEMBL377035	493.07	AVPKOUBDQYTMQB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-153937
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1cccc(Cl)c1	NSC736069,CHEMBL212324,PC-id_24205514	493.07	ZGHYJHPWNLCBRG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-153938
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(Cl)cc1	NSC734148,CHEMBL446183,PC-id_24205066	493.07	KSWCVGJYBQXXTR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-153939
CC1=C(N2CCCC2=C1C(=O)C(=O)NC(CCF)(CCF)C#C)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_148789478	493.138	OLWLCKHOYONVRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153940
CC(C)[C@@H]1C2=C(CN1CC3=CC=C(C=C3)C#N)SC(=N2)CC(=O)CC4=CC=C(C=C4)S(=O)(=O)C	PC-id_160683520	493.149	ROLOHIXVJXFQDS-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153941
CCC1=CC=CC=C1[C@@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=C(N(N=C4)CC(F)F)C	PC-id_164931961	493.16	XFBDPIIUXSDCNM-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153942
COCCOC1=CC=CC=C1C(CO)C(=O)N2CC3=CN(N=C3C2)SC4=CN(N=C4)CC(F)F	PC-id_164872209	493.16	HELWQEPIUIUCFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153943
Brc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)cc(Cl)c1	PC-id_17095304	493.199	ZXRFIIOFOUFCDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153944
CC1(CCC(CC1)CCC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Cl	PC-id_164993504	493.223	UZLWKEVHISJJKW-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-153945
C/C=C/C(=O)N1CCCC(C1)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942101	493.317	QJUCDZCLUHOUMY-WKNVSWOMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153946
C/C=C/C(=O)N1CCC(CC1)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942142	493.317	FCNJFOAXJPIGTI-MOVYNIQHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153947
COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(I)c2)sc2c1CCC2	ZINC22_408616248	493.336	FJTHQWBLTODMDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153948
Brc1ccc(C2NNC(C2)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_85496483	493.374	NBCFERUAUASGPY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153949
O=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_122501184,SCHEMBL18031089	493.393	HSYHUJGFPUTJJB-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153950
O=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19704649	493.393	HSYHUJGFPUTJJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153951
c1(NC(=O)c2c(Br)cnc(SC)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_10113393,CoCoCo_6357082,MCULE-4490816463,ZINC22_27742715,TIMTEC272553,PC-id_17014241	493.397	KTORSYNZOVVOJY-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-153952
Brc1c(c2n(N)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)N)nn2)cccc1	PC-id_29630376	493.401	CIRWGRHJAXJYOC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153953
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_18848685,MCULE-1091662479	493.403	JNRNAYSIOQTEOQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-153954
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334340257,MCULE-8091778466	493.403	IFYUHWQGZUFGPW-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-153955
[I-](c1nc2n(N=C(C(C)(C)C)/C/2=N/c2ccc(N(CC)CC)cc2)n1)CCC	PC-id_59821684	493.408	OXMFGQAUIJFKGE-QJOMJCCJSA-N	00000011100000110001000010000000000000000000000000000000	25-01-153956
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)OC(F)(F)F)sc2CCCc2c1C#N	EMOLS-id_333680373,MCULE-3513918007	493.416	QLLTYDWWUYIVEC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153957
CC1(Cn2c(cnc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OCC#Cc1ccc(cc1)C(F)(F)F	PC-id_89437172	493.436	KHVCUWJMJCQUEI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153958
FC(F)(F)c1ccc(C#CCOC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081397	493.436	UFSOLEKWCUVDJH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153959
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)OCC)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758639	493.443	WIQHCJRONMJFOQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153960
O=C(c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)N1Cc2c(C1)cn(n2)CC1CC1(F)F	SCHEMBL18501299	493.448	RGTBOLDEIDRPLN-AMGKYWFPSA-N	00100010100000110001000010000000000000000000000000000000	25-01-153961
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)(C)C)sc2c(CCC2)c1C(=O)NC	MCULE-3841654251,EMOLS-id_334331609	493.457	CUKKSSVPPUAYHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153962
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)F)NC=O)C	PC-id_88939951,SCHEMBL12640064	493.459	OSNOIFPQSJCWJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153963
Fc1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68990157,SCHEMBL4292197	493.459	KSHITZIJXUNSOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153964
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(F)cccc1C(=O)N	PC-id_68990547,SCHEMBL4292993	493.459	VALIHQRDUJATIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153965
S=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_122501186,SCHEMBL18031091	493.459	WZKFFUFSONXMMS-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153966
S=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19704646	493.459	WZKFFUFSONXMMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153967
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH+](CCC)CCC)cc1	GD-id_ZINC08919228,PC-id_40873110	493.48	VHFKORXYQVHZAU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-153968
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(OC(F)F)cc1)C)C(=O)OC	PC-id_45607986	493.48	WCNYZXSFAUYWSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153969
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(OC(F)F)cc1)C)C(=O)OC	PC-id_51447381	493.48	WCNYZXSFAUYWSD-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153970
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(OC(F)F)cc1)C)C(=O)OC	PC-id_51447382	493.48	WCNYZXSFAUYWSD-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153971
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCC2)c1C#N	EMOLS-id_321806960,MCULE-6060727513	493.492	RKKWROMEUVPLCA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153972
c1(NC(=O)COc2cccnc2NC(=O)c2cc(ccc2N(=O)=O)OC)sc2c(CCC2)c1C#N	MCULE-5648006051,EMOLS-id_321809777	493.492	PKBPBYMLZPPRGA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153973
c1(NC(=O)COc2cccnc2NC(=O)c2ccc(c(OC)c2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321807729,MCULE-3521556514	493.492	YPAQDTONXRDVNK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153974
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(C)c(c2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321770750,MCULE-1809829480	493.492	MYVGMPHVAFLTEF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153975
O=C(c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)N1Cc2c(C1)cn(n2)Cc1ccccc1	SCHEMBL17214162,PC-id_118479314	493.499	AKPVNBLWUVFAKJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153976
CN(Cc1nnc2n1CCC2)C(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	PC-id_17547148,MCULE-9807442837,CoCoCo_4469500,EMOLS-id_11878293,ZINC22_9319621	493.502	XSASQEWZVKYKBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153977
s1c2c(CCC2)c(c1NC(=O)CCN1CCN(CC1)c1c([N+](=O)[O-])cc(cc1)C(F)(F)F)C#N	PC-id_46683314	493.502	HDWYYZPUTCHUCU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-153978
Cc1cc(cc(c1OCC(COO[P+](=O)O)O)C)CCC(=O)n1c2c(C(CC2)C(C)C)c(n1)C	PC-id_90362523	493.51	KVMUAFPAURWOHI-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-153979
FC(F)(F)C1(CCC1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)OC(CN(C)C)c1ccccc1)(C)C	PC-id_76555080	493.522	FHORMJDDSQVBKZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153980
FC(F)(F)C1(CCC1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)O[C@H](CN(C)C)c1ccccc1)(C)C	PC-id_57523203	493.522	FHORMJDDSQVBKZ-QGZVFWFLSA-N	00001010100000110001000010000000000000000000000000000000	25-01-153981
s1c2c(CCC2)c(c1NC(=O)c1noc(c1)c1cc(F)c(F)cc1)C(=O)NCCc1ccccc1	PC-id_52077869	493.525	POUWAXAANKIQHO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-153982
S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16521366	493.528	RATAGOROBMBNAR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153983
S(=O)(=O)(N1CCOCC1)c1cc(c(F)cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16530480	493.528	ZTXVUPBMGFUNER-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-153984
c1(NC(=O)c2cc(on2)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-3199486097,PC-id_52232663,EMOLS-id_31499476,ZINC22_46086676,TIMTEC308325	493.532	MHQNCKUZWUIRPC-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-153985
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)ccc1OC(=O)C	ZINC22_16742056,EMOLS-id_45966527	493.532	MKNCEQXSLNGEGZ-POGMTIRKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153986
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OC(=O)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8292377737	493.532	MKNCEQXSLNGEGZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-153987
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N	PC-id_42010818	493.532	LJVHTJFKSHEONY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-153988
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(cc2OC)OC)sc2c(CCC2)c1C#N	EMOLS-id_321900797,MCULE-9021638495	493.535	KHWLRPFWBWHYNP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153989
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(c(OC)c2)OC)sc2c(CCC2)c1C#N	MCULE-7975307790,EMOLS-id_321901054	493.535	FRZLORANLSPKDW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153990
c1(NC(=O)COc2cccnc2NC(=O)Nc2cc(OC)cc(OC)c2)sc2c(CCC2)c1C#N	EMOLS-id_321904639,MCULE-1931310703	493.535	GGHIOCXYKWGLBR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153991
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(OC)ccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-5971103370,EMOLS-id_321902845	493.535	UKSMVTLVLOIHBR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-153992
S1Cc2c(nn(c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053598	493.535	UYKPKRDEMWCOOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-153993
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)CCc1ccc(cc1)C(F)(F)F)C(=O)O	SCHEMBL20353838,PC-id_135200265	493.538	OCNIJNKBVDWKGH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-153994
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)c2ccccn2)sc2CCCc2c1C#N	MCULE-5746994633,EMOLS-id_333691432	493.538	OHGAIAXXXUWBFY-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-153995
s1c2c(CCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)C(=O)c1c(OC(F)F)cccc1)C)C(=O)N	PC-id_37450956	493.547	KLWYXNGDFKLCLS-CYBMUJFWSA-O	00000010100010110001000010000000000000000000000000000000	25-01-153996
s1c2c(CCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)c1c(OC(F)F)cccc1)C)C(=O)N	PC-id_37450959	493.547	KLWYXNGDFKLCLS-ZDUSSCGKSA-O	00000010100010110001000010000000000000000000000000000000	25-01-153997
s1c2c(CCC2)c(c1NC(=O)C([NH+]1CCN(CC1)C(=O)c1c(OC(F)F)cccc1)C)C(=O)N	PC-id_74657786	493.547	KLWYXNGDFKLCLS-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-153998
COCCCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)CC)C(=O)C1(F)CCN(CC1)C)F	PC-id_143732544	493.55	IZPOIZGIICWESU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-153999
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccccc3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053735	493.553	OCCYAXSJRKQUCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154000
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(F)cc3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053366	493.553	IXJUTOONBVFVLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154001
S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_3876869	493.553	PUIJBRHPQOVODB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154002
S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_55314615	493.553	NPARZQQTWGIMPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154003
c1(NC(=O)CN2CCN(CC2)c2nnc(c(=O)[nH]2)Cc2ccc(cc2)F)sc2c(CCC2)c1C#N	MCULE-3185475667,EMOLS-id_322526562	493.556	ZCCKEJCSGTVRMF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154004
NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc2c1CCC2	MCULE-2335506109,ZINC22_36398746,CoCoCo_3374287,EMOLS-id_15231610,PC-id_2400585	493.557	PSVPLLBVLLFCDK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154005
O=C(OC1CCn2c1ncc2)NCCCc1cccc(n1)CCCNC(=O)OC1CCn2c1ncc2	SCHEMBL19220269	493.558	VMFCXZPQGSGXSK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154006
O=C(O[C@@H]1CCn2c1ncc2)NCCCc1cccc(n1)CCCNC(=O)O[C@@H]1CCn2c1ncc2	SCHEMBL19220288	493.558	VMFCXZPQGSGXSK-NHCUHLMSSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154007
CN(C(C)C)CC(c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_69154752,SCHEMBL4707749	493.573	AVNHSILYKNULAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154008
CN(C(C)C)C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F	PC-id_58015634,SCHEMBL4707746	493.573	AVNHSILYKNULAA-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154009
c1(NC(=O)COc2cn(c(cc2=O)C)CCc2ccc(OC)c(OC)c2)sc2CCCc2c1C#N	EMOLS-id_331630530,MCULE-7083324802	493.575	IYFOIIQTRBDKRC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154010
c1(NC(=O)NN=Cc2ccc(c(OC)c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_19169873,MCULE-8216694795	493.575	GAQCRKOXLPJAAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154011
Cc1c(cc(cc1)CCNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C)C	SCHEMBL14054999,PC-id_89236552	493.575	DLVGLIKHGUJTOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154012
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCCCc1ccccc1	PC-id_89237605,SCHEMBL14056235	493.575	OSHPOAZFRZDPMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154013
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCC(C)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9708283061	493.575	LESUBJUBLNODIM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154014
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3242776410	493.575	LCHJIGMAGOWWFF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154015
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccc(cc1)C(=O)OCCCC	PC-id_16947896	493.575	VGVHZNCRWMNVGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154016
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)C=Cc1sccc1)C(=O)OCC	PC-id_5046175	493.576	RJUWIECCRCQHEF-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-154017
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_331928347,MCULE-5997034779	493.578	BPRLZGCKPNEBGQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154018
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-9999083234,EMOLS-id_331922462	493.578	LJPYBWKHTFXTJJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154019
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-4773947187,EMOLS-id_331924506	493.578	GDRYNOMLZNXQEV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154020
c1(NC(=O)COc2nonc2C(=O)Nc2cc(C(C)C)cc(c2)C(C)C)sc2CCCc2c1C#N	EMOLS-id_333679351,MCULE-3719378870	493.578	GVFARNIYUHGADL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154021
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(c(cc3)C)C)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053323	493.578	JRKXXKCHKWKUNJ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154022
s1c2c(CCC2)c(c1Nc1nc(N2CCC(CC2)Cc2ccccc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127502	493.581	NFNCFNJGBBYULQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154023
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCOC)CCOC)sc2CCCc2c1C#N	EMOLS-id_333773908,MCULE-5720040176	493.596	XBIALFCFNIGULX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154024
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331789243,MCULE-3471417915	493.596	OGYRPKYZWLZLLZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154025
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H](N(C1)C)CO)(C(=O)NO)S(=O)(=O)C	PC-id_137440906,SCHEMBL20678204	493.596	FHRCCRAKOOORBV-DHVIMCKQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-154026
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H](N(C1)C)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678203,PC-id_137440905	493.596	FHRCCRAKOOORBV-LBUQITIBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-154027
CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1C	MCULE-7925196413,CoCoCo_3059751,PC-id_3646156,EMOLS-id_3288810,ZINC22_9544611	493.596	NQHXMROABZHRAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154028
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)NC(=O)OCC	PC-id_44993390	493.596	KFXHKIWXQZUDBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154029
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C)C(=O)N	PC-id_42984414	493.596	ZKDGRMAZIAJZBS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154030
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_22200383	493.596	LJTBIOBDYJTQSW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154031
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1C(F)(F)F	PC-id_140882994	493.597	CNOTWVQCWOMVMV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154032
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NC1CC1c1ccccc1	PC-id_89237207	493.598	SXPXSJXTSYJZGY-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-154033
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)C1CC1c1ccccc1	PC-id_89239325,SCHEMBL14058457	493.598	VPNSPHGDWZBYNW-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-154034
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1CC1c1ccccc1	SCHEMBL14055785	493.598	SXPXSJXTSYJZGY-BPGUCPLFSA-N	00100010100000110000100010000000000000000000000000000000	25-01-154035
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c2CSCc2nn1CC(=O)NCC1CCCO1	EMOLS-id_24913359,PC-id_44053087,MCULE-4490398296	493.6	ZGTPTBQBDVGPRQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154036
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1	PC-id_30862437,CoCoCo_5277634,ZINC22_23139136	493.6	ZGTPTBQBDVGPRQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154037
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1	PC-id_30862441,ZINC22_23139139,CoCoCo_5277635	493.6	ZGTPTBQBDVGPRQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154038
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCCOC	PC-id_44053033	493.6	XJSBYWDONGEVEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154039
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCC)cc1	PC-id_44052844	493.6	UFCWMRMLDVEDKC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154040
Cc1cccc(c2nnc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)n2Cc2ccco2)c1	PC-id_16394302,MCULE-3701705252,EMOLS-id_11875714,CoCoCo_4177880,ZINC22_10026898	493.601	FEUWFKZBGLZIKM-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154041
Cc1occc1c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1Cc1ccccc1	EMOLS-id_11736541,ZINC22_13164979,MCULE-7270533212,CoCoCo_3640655,PC-id_16309770	493.601	NCEDXBRLONGTGC-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154042
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1Cc1ccccc1)c1ccco1	MCULE-6099829513,PC-id_16348914,EMOLS-id_3694497	493.601	SWTRFWKTHKHVQK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154043
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1Cc1ccco1)c1ccccc1	MCULE-1618136858,EMOLS-id_11792145,SCHEMBL21045407,PC-id_16347976	493.601	ARPVTOKQEWIMPQ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154044
C[C@H](Sc1nnc(c2ccccc2)n1Cc1ccco1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9603604,PC-id_41141678,CoCoCo_4175687	493.601	ARPVTOKQEWIMPQ-AWEZNQCLSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154045
C[C@@H](Sc1nnc(c2ccccc2)n1Cc1ccco1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9603607,PC-id_41141680,CoCoCo_4175688	493.601	ARPVTOKQEWIMPQ-CQSZACIVSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154046
C[C@H](Sc1nnc(c2ccco2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4173460,ZINC22_14129410,PC-id_25956437	493.601	SWTRFWKTHKHVQK-AWEZNQCLSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154047
C[C@@H](Sc1nnc(c2ccco2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_14129409,CoCoCo_4173459,PC-id_25956436	493.601	SWTRFWKTHKHVQK-CQSZACIVSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154048
NC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccco2)sc2c1CCC2	ChEMBL-DNDi_CHEMBL1422602,ZINC22_6551999,CHEMBL1422602,CHEBI:120055,PC-id_645437	493.601	LAVBGWSTOQSBDM-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-154049
n1(N)c(SCC(=O)Nc2sc3CCCc3c2C#N)nnc1C1CC(=O)N(Cc2ccccc2)C1	EMOLS-id_335761105,MCULE-2207994676	493.604	MUZPMZSXIYGKDB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154050
CC1(c2c(CN1C(=O)Nc1ccccc1C(C)(F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_134426895,SCHEMBL20060519	493.613	MOVJDNDKCYSKFX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154051
Brc1ccc(C(=O)NC(Nc2sc3c(CCC3)c2C#N)C(Cl)(Cl)Cl)cc1	PC-id_3597918	493.633	ZUCYFFBRXUUHPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154052
CCOC(=O)c1c(NC(=O)CNc2cc(S(=O)(=O)N(CC)CC)ccc2C)sc2c1CCC2	EMOLS-id_43858748,PC-id_3953780,MCULE-7694939273,ZINC22_14066139,CoCoCo_3372579	493.639	BRLQMUVTMAQVBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154053
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	PC-id_117688913,SCHEMBL16224741	493.639	XKFDRCSLZLUZTE-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154054
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	PC-id_117688893,SCHEMBL16224712	493.639	OXMYMEAKBIGWDX-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-154055
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCCC)sc2CCCc2c1C#N	EMOLS-id_331784383,MCULE-3975660440	493.641	WIHTWTZTLTVPLI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154056
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331786941,MCULE-1917737915	493.641	CLWCYFCVUQTHRT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154057
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCC)sc2CCCc2c1C#N	MCULE-2597676485,EMOLS-id_331785149	493.641	LTUMYXBQYBSDCR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154058
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCC)sc2CCCc2c1C#N	EMOLS-id_331785661,MCULE-9319261346	493.641	SVAXWAZOBDJOJU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154059
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccccc2C)sc2CCCc2c1C#N	MCULE-6562973036,EMOLS-id_331791029	493.641	RKFRPEXZCVXADX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154060
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-7720091644,EMOLS-id_331790526	493.641	UUPZCLFJQXOKDD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154061
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_331788981,MCULE-9981037547	493.641	FFMOUYICSHSHCY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154062
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331789232,MCULE-9244480552	493.641	YAQZCLPZXYHFMC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154063
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331792305,MCULE-2240938910	493.641	VTQWKFQLPNXPCA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154064
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4250003,PC-id_41142615,CoCoCo_4250005,ZINC22_9605880	493.643	PFMKKAUJTJZOQO-LSDHHAIUSA-N	00000010100000000001100010000000000000000000000000000000	25-01-154065
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4250010,CoCoCo_4250008,ZINC22_241590521	493.643	PFMKKAUJTJZOQO-CABCVRRESA-N	00000010100000000001100010000000000000000000000000000000	25-01-154066
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_14129546,CoCoCo_4250007,PC-id_25956519,CoCoCo_4250009	493.643	PFMKKAUJTJZOQO-HUUCEWRRSA-N	00000010100000000001100010000000000000000000000000000000	25-01-154067
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_9605884,PC-id_41142619,CoCoCo_4250006,CoCoCo_4250004	493.643	PFMKKAUJTJZOQO-GJZGRUSLSA-N	00000010100000000001100010000000000000000000000000000000	25-01-154068
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)N(Cc1c(C)nn(c1C)C1CCS(=O)(=O)C1)C	MCULE-9214355051,EMOLS-id_11797160,PC-id_16352265	493.643	PFMKKAUJTJZOQO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-154069
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC1CCC(CC1)NC(=O)C=C)C	PC-id_137497869,SCHEMBL20741125	493.644	CBIYTNWNAOSCLI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154070
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)N[C@@H]1CCC[C@H](C1)NC(=O)C=C)C	PC-id_137497862,SCHEMBL20741118	493.644	ZCAPYIJZAVIGEV-JLMWTWJWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154071
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)N[C@@H]1CCC[C@@H](C1)NC(=O)C=C)C	SCHEMBL20741183,PC-id_137497919	493.644	ZCAPYIJZAVIGEV-RJKSWSIASA-N	00000010100010110001000010000000000000000000000000000000	25-01-154072
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC1CCC(CC1)NC(=O)C=C)C	PC-id_137497868,SCHEMBL20741124	493.644	CBIYTNWNAOSCLI-QETWGEEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154073
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)N[C@@H]1CCC[C@H](C1)NC(=O)C=C)C	PC-id_137497860,SCHEMBL20741116	493.644	ZCAPYIJZAVIGEV-KCZVDYSFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154074
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)N[C@@H]1CCC[C@@H](C1)NC(=O)C=C)C	SCHEMBL20741181,PC-id_137497917	493.644	ZCAPYIJZAVIGEV-TUNNFDKTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154075
OCC#CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817092	493.673	JNBLFSMRVFDVCZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154076
C1(=O)N(C(=O)c2c1c(n[nH]2)C(=O)CCCCCCCCCCCCCCCCC)Cc1ccccc1	CHEMBL1098806,BindingDB_PC-id_46888286,PC-id_46888286	493.681	KJYHBJPRBRMHPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154077
CCCCCCCCOc1nn2c(/c/1=Cc1ccc(cc1C)N(CCCC)CC)nnc2/C=COC	SCHEMBL13237335	493.684	LNHVKBJVZPWORM-LGFSSDSXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154078
O(CCCCCCCC)c1nn2c(nnc2C=COC)c1=Cc1c(cc(N(CCCC)CC)cc1)C	PC-id_59211512	493.684	LNHVKBJVZPWORM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154079
CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nnc1[C@H](CC)N(C)C	PC-id_41136691,ZINC22_9588836,CoCoCo_2875586	493.686	WMVHFKIPJJOTSP-INIZCTEOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-154080
CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nnc1[C@@H](CC)N(C)C	ZINC22_9588834,PC-id_41136688,CoCoCo_2875585	493.686	WMVHFKIPJJOTSP-MRXNPFEDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-154081
CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nnc1C(N(C)C)CC	EMOLS-id_11659751,PC-id_16251321,MCULE-4171502386	493.686	WMVHFKIPJJOTSP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-154082
[Si](OCCCc1n(c2c(CCC2)c1)Cc1ccccc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_53386660	493.754	MZTWMGVDPVBMQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154083
Brc1ccc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2ccc(Cl)cc2)cc1	PC-id_46872128	493.761	RGWWFVXEGMQACU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154084
c1(NC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2624591931,EMOLS-id_334330286	493.833	YYWMAIZDXFGVAL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154085
Clc1c(N2C[C@H](N(CC2)C(=O)O)C(C)(C)C)ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	PC-id_69635443	493.941	ZBPSDPJIYQMRDJ-LBOXEOMUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154086
Clc1c(N2CCN(CC2)C(=O)OC(C)(C)C)ccc(OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	PC-id_69635433,SCHEMBL6010892	493.941	VWIXHIQEWKWELW-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154087
Clc1c(N2CC(N(CC2)C(=O)O)C(C)(C)C)ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	PC-id_69635439	493.941	ZBPSDPJIYQMRDJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154088
Clc1c(N2CCN(CC2)C(=O)OC(C)(C)C)ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)c1	PC-id_77713015	493.941	VWIXHIQEWKWELW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154089
C1CC(=O)N(C1)c1ccc(cc1)CC(=O)NC1c2c(CN1)c(n[nH]2)NC(=O)Nc1ccccc1Cl	PC-id_90823643	493.945	ISILOBIYNUXSMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154090
Clc1c(NC(=O)NN2Cc3c([nH]nc3N(c3ccc(N4CCCC4=O)cc3)C(=O)C)C2)cccc1	SCHEMBL3434473,PC-id_68641452	493.945	VUPIXAKDTVPAMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154091
Clc1c(NC(=O)NN2Cc3c([nH]nc3NC(=O)Cc3ccc(N4CCCC4=O)cc3)C2)cccc1	PC-id_68443262,SCHEMBL2925472	493.945	AFMWBUGOAQGLHB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154092
Clc1c(cc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3CCCc3n2)cc1)C(F)(F)F	PC-id_26723227	493.951	RYVJHTDJMQQOHZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154093
Clc1c(OC)c(OC)cc(C=CC(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_3923493	493.957	WMECPGHTLKZJQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154094
Clc1c(NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	MCULE-3896983246,EMOLS-id_34650558,PC-id_24414324	493.959	RSCYXDKASRBAJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154095
Clc1c(S(=O)(=O)Nc2ccc(F)cc2)cc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_24540848	493.959	JWAPECIPAWZDSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154096
Clc1ccc(OCc2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_4122084	493.984	LUPDHYPWJZFGOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154097
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)c1n[nH]nn1	PC-id_134170706,SCHEMBL19771873	494.012	ZFXBKVXHOMQHJP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154098
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cc1ccc(cc1)c1nnn[nH]1	SCHEMBL18367918	494.012	ZFXBKVXHOMQHJP-QFIPXVFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154099
Clc1cc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH+]2CCN(CC2)CCO)c(OC)cc1	PC-id_51628857	494.027	UCSSZXSRJAJNQU-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-154100
CC(C)(C)c1cc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc(c1O)C(C)(C)C	EMOLS-id_27022627	494.048	NQVWRJFAPMCRDG-VUPRMNMUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154101
CC(C)(C)c1cc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc(c1O)C(C)(C)C	EMOLS-id_45964803,ZINC22_16735162	494.048	NQVWRJFAPMCRDG-SYHWEURASA-N	00000000100000110001000010000000000000000000000000000000	25-01-154102
n12nc(nc1sc(=Cc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)c2=O)C=Cc1ccc(cc1)Cl	MCULE-6646103482	494.048	NQVWRJFAPMCRDG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154103
CC1(c2c(CN1C(=O)Nc1c(cccc1Cl)OC)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348603,PC-id_135195471	494.05	QUYLLKDLTGXSOC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154104
CC1(c2c(CN1C(=O)Nc1c(ccc(c1)OC)Cl)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348511,PC-id_135195386	494.05	VGPDQVTXQMEGLP-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154105
CC1=C(SC(=N1)OCC(C)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872277	494.109	ZLEXVGADXWRZAQ-LRHAYUFXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154106
C1SC2=C(S1)[Se]C(=CC=C1[Se]C=C[Se]1)[Se]2	PC-id_101581921	494.114	IMNDJHASUWWCKU-UHFFFAOYSA-N	00000011000000000001000010000000000000000000000000000000	25-01-154107
CC(C)(C)OC(=O)CC1CCC(CC1)(CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)Cl)Cl)C#N	PC-id_165072057	494.138	SXUSDGQPAWYCFA-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-154108
CC(C)(CCCC(=O)O)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)F)Cl	PC-id_165036201	494.142	YDBGCBTWOWBJKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154109
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C4=COC=C4)CC5=CC=C(C=C5)C(F)(F)F	PC-id_161794184	494.193	BYKMSWNDTDKCLM-KRWDZBQOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154110
CC1(CCC(CC1)CCC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Cl	PC-id_147251650	494.218	CMUQGTROGBRZDM-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-154111
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)/C=C(/C3=CC=CC=C3)O)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_161642208	494.235	YDIORJFJRHGJGR-HKWRFOASSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154112
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)CC(=O)C3=CC=CC=C3)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_161642209	494.235	DOHOEHNDRFAJFT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154113
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2)NC4=CC=C(C=C4)CC(=O)C=C)C	PC-id_164993361	494.301	WVGGWDCOENZUKE-HSZRJFAPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154114
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-5264064207	494.336	ZSKSCSZFTIHCPW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154115
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(cc1)F	MCULE-4943961508	494.336	PSSNECXRWVQKCL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154116
CCOP(=O)(C(=Cc1cc(N=c2snc3n2CC(C3)(C)C)c(cc1Cl)F)Cl)OCC	SCHEMBL7164039	494.347	FRAXTKWSLFAURG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154117
Clc1c(cc(/N=c/2snc3n2CC(C3)(C)C)c(F)c1)C=C(Cl)P(=O)(OCC)OCC	PC-id_57282306	494.347	FRAXTKWSLFAURG-VZUUIGOMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154118
COc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc(OC)c1OC	EMOLS-id_324846324	494.348	HVPSTOLUQABEJC-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154119
n12nc(nc1sc(=Cc1cc(OC)c(c(OC)c1)OC)c2=O)COc1ccc(cc1Cl)Cl	MCULE-1780311199	494.348	HVPSTOLUQABEJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154120
Brc1cc(/C=C/C(=O)Nc2sc3c(C(CC3)C(=O)OC)c2C(=O)OC)c(OC)cc1	PC-id_19206482	494.356	GXHWLTUDLDNNKJ-RUDMXATFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154121
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1cc(Br)ccc1OC)C(=O)OC	MCULE-4942701457,PC-id_73568946	494.356	GXHWLTUDLDNNKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154122
Brc1ccc(C(=O)NCC(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cc1	PC-id_24495705	494.359	UPJSUFVVIDNRJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154123
COC(=O)c1c(NC(=O)CSc2nnc(c3ccccc3Br)o2)sc2c1CCC2	ZINC22_9513320,MCULE-6037843497,CoCoCo_3131746,EMOLS-id_43788437,PC-id_16343017	494.382	DRVKYDHFOSWXPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154124
C1Cc2nnc(n2C1C(=O)NCCc1ccc(cc1)Cl)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134798656	494.394	LRNQJAKARHTJLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154125
Brc1c(OCC2OCCC2)ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_17131688	494.399	YYTNBZNNKNOJCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154126
Brc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1sc2CCCc2c1C#N	MCULE-3202515973,EMOLS-id_6738898,ZINC22_1445187,PC-id_1520981,TIMTEC322219	494.425	MXCAOYVUZGSJPG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154127
Cc1c(cc(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N)C)F	PC-id_134599085,SCHEMBL20252986	494.439	WYLFVWSSAKYPRW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154128
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn12	PC-id_139525087,SCHEMBL21398375,BindingDB-id_980749	494.439	YYDTYADMPGYNMD-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154129
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)n2CCCc12	BindingDB-id_799350,SCHEMBL19900850,PC-id_134285148	494.439	RSYSXPQRXLXDQX-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154130
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCCCCC)cc1	PC-id_17343368	494.442	BEXCQPMAQMTPTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154131
Brc1c(OCCCCCC)ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_4959464	494.442	WOBJIJDOOPXFDV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154132
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)(C)C)sc2c(CCC2)c1C(=O)OC	PC-id_1701839,MCULE-3632516680	494.442	JXTKSGBZDNZRMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154133
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)C)sc2c(CCC2)c1C(=O)OCC	MCULE-9914062154,PC-id_19206256	494.442	FODWRJILZNCUCE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154134
C=CCC1C(N(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])c1ccc(cc1)C(F)(F)F	SCHEMBL1047914,PC-id_66888016	494.444	LDXZYZRQYGGVOT-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-154135
CC=CC1C(N(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])c1ccc(cc1)C(F)(F)F	SCHEMBL57354,PC-id_87063379	494.444	MJRPVPQWCXYKON-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-154136
CC=C[C@@H]1C(N(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])c1ccc(cc1)C(F)(F)F	SCHEMBL1047915,PC-id_66888018	494.444	MJRPVPQWCXYKON-SRWJYRBRSA-M	00000010100010110001100010000000000000000000000000000000	25-01-154137
CC=C[C@H]1C(N(CCN1C(=O)[O-])CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])c1ccc(cc1)C(F)(F)F	SCHEMBL57355,PC-id_66589233	494.444	MJRPVPQWCXYKON-AFJQURTJSA-M	00000010100010110001100010000000000000000000000000000000	25-01-154138
c1(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334386204,MCULE-1994722801	494.451	VOAXEPLSGVJHFE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154139
FC(F)(F)c1ccc(C=CCNC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69479568,SCHEMBL5536282	494.467	MIBPGZWVXJHCTE-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154140
FC(F)(F)c1ccc(C=CCNC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77659526	494.467	MIBPGZWVXJHCTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154141
COC(=O)c1ccc(cc1)C(NC(=O)c1c2n(nc1C(CO)(F)F)CCN2C(=O)OC(C)(C)C)C	SCHEMBL18758657	494.488	KYMTUTQHKZNATK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154142
Clc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Cl	PC-id_140882991	494.489	HIAOZWLNDJUXDZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154143
Clc1ccc(c(c1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)Cl	PC-id_145210912	494.489	HUQMWFAQJYIQRE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154144
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(Cl)cccc1Cl	PC-id_140882970	494.489	FKMOCEHOMPAJEL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154145
OC(COc1c(C)cc(cc1C)CCC(=O)n1nc(c2c1CCC2C(C)C)C)COOP(=O)O	SCHEMBL15978718	494.518	DPUQSJQJUNHOPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154146
c1(NC(=O)c2cc(cc(c2C)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3643011666,EMOLS-id_334330543	494.52	UVIUGUOXOFCWQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154147
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334335394,MCULE-7704928675	494.52	AUPSOJRZMHQAOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154148
CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=c/3sc4ncnn4c3=O)cc2OCC)cc1	ZINC22_256055833,PC-id_117588548	494.52	VXCWLNWPJLILFM-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154149
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccc(cc1)C(=O)OCC)c2=O	MCULE-7079142496	494.52	VXCWLNWPJLILFM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154150
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2)cc1)C(=O)N	PC-id_24381636	494.52	GOFPCODIQSUYSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154151
O=C(C1=CS[C@@H]2N1C(=O)C2)OC(c1nc2n(c1)CCS2=O)OC(=O)C1=CS[C@@H]2N1C(=O)C2	PC-id_67570983,SCHEMBL8386790	494.521	HUCJZOOMNYQLKX-KWRBWASUSA-N	00001011100000000001001010000000000000000000000000000000	25-01-154152
O=C(C1=CS[C@@H]2N1C(=O)C2)OC(c1nc2n(c1)CC[S@]2=O)OC(=O)C1=CS[C@@H]2N1C(=O)C2	SCHEMBL8388270,PC-id_67571345	494.521	HUCJZOOMNYQLKX-MMCBDWEOSA-N	00001011100000000001001010000000000000000000000000000000	25-01-154153
S1C2N(C(=O)C2)C(=C1)C(=O)OC(OC(=O)C1=CSC2N1C(=O)C2)c1nc2S(=O)CCn2c1	PC-id_77316189	494.521	HUCJZOOMNYQLKX-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-154154
c1(NC(=O)COc2nonc2CC(=O)Nc2c(C)ccc(NC(=O)C)c2)sc2CCCc2c1C#N	MCULE-7236956091,EMOLS-id_333648531	494.523	IXEIZGCTPGVRQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154155
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)c2ncccn2)sc2CCCc2c1C#N	EMOLS-id_333689129,MCULE-6361165843	494.526	SHQOGBOGSGNISL-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-154156
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(cccc1)C(F)(F)F	PC-id_45663376	494.527	JGSNRPFRSVPHBM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154157
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)C)C(=O)OC	PC-id_17265981	494.535	RPWAHYRRMFFUKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154158
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CCN(C1)CCO)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485340,PC-id_135315810	494.536	PWDIJWAANZZIDE-ZMFCMNQTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-154159
OCCN1CCC(C1)(F)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL20485341	494.536	PWDIJWAANZZIDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-154160
Cc1cc(nn1C)Nc1cc(n[nH]c1=O)C1=CC=C(C(=CC1)NC(=O)c1cc2c(s1)CCC2O)F	SCHEMBL19981694,PC-id_134355311	494.541	SGTSYAMKHPFRLM-UHFFFAOYSA-N	00000010100000100111100010000000000000000000000000000000	25-01-154161
S(=O)(=O)(N1CCCC1)c1cc([N+](=O)[O-])c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_4433909	494.541	YXYOBVKXUKIUCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154162
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccc(N(=O)=O)s2)sc2c(CCC2)c1C#N	MCULE-7513576892	494.543	HYHMXCPWTNICCA-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-154163
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)COc1ccccc1C	MCULE-6655642780	494.543	ONGNHXDFNNTZLP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154164
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)COc1ccc(cc1)C	MCULE-7792355501	494.543	KLXZGMGGJYCKQC-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154165
OC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	SCHEMBL8018681,PC-id_57791595	494.543	PMKBYGSUZBTTHJ-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154166
OC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	PC-id_57791758,SCHEMBL13786627	494.543	DADNCXJIHFGCJN-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154167
OC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	PC-id_57791688,SCHEMBL13786587	494.543	PMKBYGSUZBTTHJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154168
OC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	SCHEMBL13786583,PC-id_57791744	494.543	DADNCXJIHFGCJN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154169
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)s1	EMOLS-id_323199661	494.543	HYHMXCPWTNICCA-VQHVLOKHSA-N	00000010100100110000000010000000000000000000000000000000	25-01-154170
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](SCC(=O)Nc1ccc(F)cc1)C)C(=O)OC	PC-id_41513570	494.556	VDSFHURCDABFQQ-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154171
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](SCC(=O)Nc1ccc(F)cc1)C)C(=O)OC	PC-id_41513571	494.556	VDSFHURCDABFQQ-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154172
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(SCC(=O)Nc1ccc(F)cc1)C)C(=O)OC	PC-id_45671770	494.556	VDSFHURCDABFQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154173
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)c1c(OCCOc2ccccc2)cccc1)C)C(=O)N	PC-id_24495422	494.559	KYFNZDJSSYPBFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154174
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)COc1ccc(OCc2ccccc2)cc1)C)C(=O)N	PC-id_24496258	494.559	IDAHQXKOEJYYDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154175
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-5633404380,EMOLS-id_331927326	494.563	ARBLNXAAQRABFX-UHFFFAOYSA-N	00000010101010101001000010000000000000000000000000000000	25-01-154176
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCO)sc2CCCc2c1C#N	EMOLS-id_332717134,MCULE-2346502386	494.563	MJMZLGBYXGHPFM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154177
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCO)sc2CCCc2c1C#N	MCULE-7218302158,EMOLS-id_332716367	494.563	CBUSPWRFTDBWED-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154178
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4ccccc4OC)nn3c2=O)cc1	EMOLS-id_324866063	494.563	VNGKNVCDFVATKB-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-154179
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4cccc(OC)c4)nn3c2=O)cc1	EMOLS-id_324876289	494.563	OSIZYAIEQNLLEU-BKUYFWCQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154180
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1ccccc1OC	MCULE-2371137244	494.563	VNGKNVCDFVATKB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154181
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1cccc(OC)c1	MCULE-9453920205	494.563	OSIZYAIEQNLLEU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154182
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1c([N+](=O)[O-])cccc1	PC-id_2400584	494.564	PSVPLLBVLLFCDK-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-154183
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331926811,MCULE-8546216245	494.566	XGUXVAPFLXWTCT-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-154184
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)N(CC)CC)sc2CCCc2c1C#N	EMOLS-id_333649810,MCULE-4104235490	494.566	MQQMASQXQJWPME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154185
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(N(CC)CC)cc2C)sc2CCCc2c1C#N	EMOLS-id_333680632,MCULE-2863646887	494.566	MOTLXZKUWGVPJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154186
s1c2c(CCC2)c(c1Nc1nc(N2CCN(CC2)Cc2ccccc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127495	494.569	JKPONKBZRAOJNK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154187
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332710217,MCULE-5690728735	494.581	IRPMIHDGZZEUPC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154188
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCCC)sc2CCCc2c1C#N	MCULE-2334221646,EMOLS-id_332713292	494.581	AAKXCCIOZQQZJW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154189
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CCC)sc2CCCc2c1C#N	MCULE-8350535376,EMOLS-id_332710983	494.581	UFOYWGAPOJQEAC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154190
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CC(C)C)sc2CCCc2c1C#N	MCULE-5794816116,EMOLS-id_332711497	494.581	JXJVRVUKLMLPOD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154191
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCCC)sc2CCCc2c1C#N	MCULE-9152810322,EMOLS-id_332710477	494.581	XWCBOUUNJIYTLQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154192
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331926296,MCULE-1612092488	494.581	DSDBFBNMWHPOOB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154193
CCOC(=O)c1c(NC(=O)c2cc(ccc2OC)S(=O)(=O)N2CCOCC2)sc2CCCc12	ZINC22_646257,EMOLS-id_1998315,MCULE-5010015000,SPECS-id_AP-906/41928074,ChEMBL-DNDi_CHEMBL7358272,CoCoCo_917973,PC-id_993010	494.581	DLBGQOOEKFJMIX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154194
CCOC(=O)c1c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2	CoCoCo_3154589,MCULE-9449884981,ZINC22_9585948,EMOLS-id_11659687,PC-id_16250825	494.581	KCBIIVFDMUKEBV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154195
COC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)NS(=O)(=O)c2ccccc2)sc2c1CCC2	CoCoCo_4956587,PC-id_2497120	494.581	FAZKZBYJDUXUCA-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154196
COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc2c1CCC2	EMOLS-id_26052174,ZINC22_3378995,ChEMBL-DNDi_CHEMBL1503726,MCULE-8343610590,CoCoCo_4956586,PC-id_2497117,CHEMBL1503726	494.581	FAZKZBYJDUXUCA-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-154197
s1c2c(CCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41273994	494.581	JMBGJMPGUZQFFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154198
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)C(=O)OCC	PC-id_41572674	494.581	OXPNLNWJZJPNBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154199
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)OC	PC-id_16527683	494.581	WWFNUADKFUGWEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154200
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)OC	PC-id_31732328	494.581	LLNOVMBRZMEPIO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154201
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)NC(CC)C)cc1)C(=O)OC	PC-id_42983771	494.581	YCARNWXVVBAZKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154202
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC)C)cc1)C(=O)OC	PC-id_31734274	494.581	YCARNWXVVBAZKH-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154203
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N[C@H](CC)C)cc1)C(=O)OC	PC-id_31734279	494.581	YCARNWXVVBAZKH-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154204
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1)C(=O)OCC	PC-id_41199121	494.581	GKPRPNFRNMPUCR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154205
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1)C(=O)OC	PC-id_16521290	494.581	YPIDUXCJSGZLEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154206
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C(C)C)C)ccc1)C(=O)OC	PC-id_41197791	494.581	KCEKOQGECOBOOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154207
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NS(=O)(=O)c1ccccc1)C(C)C)C(=O)OC	PC-id_4032072	494.581	FAZKZBYJDUXUCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154208
s1c2c(CCC2)c(c1NC(=O)COC(=O)CN(S(=O)(=O)c1ccc(cc1)C)C)C(=O)OCC	PC-id_4543347	494.581	MTZZCVJSOCGVJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154209
s1c2c(CCC2)c(c1NC(=O)COC(=O)CNS(=O)(=O)c1cc(c(cc1)C)C)C(=O)OCC	PC-id_5028794	494.581	MSXVEWRAAJRTPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154210
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2sc3CCCc3c2)cc1	PC-id_24644298	494.586	PSZSYRABFYNDRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154211
s1c2c(CCC2)c(c1NC(=O)CSc1n(Cc2ccccc2)c(nn1)c1occc1)C(=O)OC	PC-id_16497497	494.586	KPQBSQJNUDVSSA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154212
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1Cc1ccco1)c1cccnc1	PC-id_17484180,MCULE-9963678123,SCHEMBL21045243,EMOLS-id_15282850	494.589	DBWOWAOXSRJFON-UHFFFAOYSA-N	00000010101000101001100010000000000000000000000000000000	25-01-154213
C[C@H](Sc1nnc(c2cccnc2)n1Cc1ccco1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4175707,ZINC22_12846686,PC-id_25549175	494.589	DBWOWAOXSRJFON-ZDUSSCGKSA-N	00000010101000101001100010000000000000000000000000000000	25-01-154214
C[C@@H](Sc1nnc(c2cccnc2)n1Cc1ccco1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_12846679,CoCoCo_4175706,PC-id_25549171,GD-id_ZINC12846679	494.589	DBWOWAOXSRJFON-CYBMUJFWSA-N	00000010101000101001100010000000000000000000000000000000	25-01-154215
OSNc1nn2c(n1)c(c([nH]2)C(C)(C)C)/C=c/1c2nc(nn2nc1C(C)(C)C)NS(=O)(=O)C	PC-id_145634517	494.594	YOADOBGPGLZGAJ-NTMALXAHSA-N	00000000100000000001000110000000000000000000000000000000	25-01-154216
FC(OC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1)F	SCHEMBL19542232	494.598	ZZWAPYGKNGADQV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154217
FC(O[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1)F	SCHEMBL19537547	494.598	ZZWAPYGKNGADQV-QGZVFWFLSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154218
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)OC(C)C	MCULE-1295565644,EMOLS-id_328224118	494.602	AIMNDFGFNQHPMY-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-154219
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccco2)sc2CCCc2c1C#N	MCULE-9455669409,EMOLS-id_331927071	494.606	RXNTTYKSKBQQBY-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-154220
c1(oc(C)cc(=O)c1O)C1(CCN(CC1)Cc1ccccc1)CC(=O)NCc1cn2c(SCC2)n1	STOCK7S-74582,ZINC22_1776111963,MCULE-5109251607,PC-id_139029783,EMOLS-id_320359441	494.606	ZQTKSEZUBHTGSN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154221
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)cc1	EMOLS-id_328221044,MCULE-2815837487	494.606	MVGZABUNWFXNLS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154222
S1Cc2c(nn(c2NC(=O)c2ccc(OCCCC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053535	494.606	WISGQIAQJDBLAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154223
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053828	494.606	NRCCWHXGFYHZOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154224
S1Cc2c(nn(c2NC(=O)COc2ccc(C(C)C)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053487	494.606	IROAISCTOWCOFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154225
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331924508,MCULE-2056968612	494.609	BGLUKBYYWGWPNG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154226
CC(N1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1)C	SCHEMBL4282071,PC-id_68985331	494.609	MREHNNZQMFGUBC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154227
CC(N1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1)C	PC-id_24751736,SCHEMBL4282065	494.609	IKNVPZIHHPVJEW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154228
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2(C)C)S(=O)(=O)c1ccccc1	PC-id_24750904,SCHEMBL4279825	494.609	LLKPDMMNYVLQRC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154229
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1	SCHEMBL4279820,PC-id_68984408	494.609	NKGHOQHIULIPJD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154230
s1c2c(CCC2)c(c1NC(=O)CN(C1C(N(CCCC)C(=O)NC1=O)N)Cc1ccccc1)C#N	PC-id_74611520	494.609	OWLQHYPARJORFY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154231
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)C(=O)OCC	PC-id_4956857	494.626	PJQVWBXXXPGISU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154232
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCc2ccccc2)ccc1)C(=O)OCC	PC-id_17134619	494.626	XOEOJNDPDZPKTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154233
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCc2ccccc2)cccc1)C(=O)OCC	PC-id_19628398	494.626	ACENCRWMUGXGKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154234
Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCC4)C2)cnn1C	PC-id_40433618,ZINC22_2732869,CoCoCo_6594093	494.627	PQUXXTPZTRIXGV-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154235
Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCC4)C2)cnn1C	PC-id_40433619,CoCoCo_6594092,ZINC22_2732870	494.627	PQUXXTPZTRIXGV-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154236
CC(C)OC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cnn(C)c2C)sc2CCCc12	PC-id_17025166,EMOLS-id_4169141,MCULE-2935120127	494.627	PQUXXTPZTRIXGV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154237
CCOC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cn(CC)nc2C)sc2CCCc12	MCULE-6788150314,PC-id_17023491,EMOLS-id_4169139	494.627	RGLUKCWJLGKSSK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154238
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)sc2c1CCC2	PC-id_40446186,CoCoCo_6589779,ZINC22_2808182	494.627	RGLUKCWJLGKSSK-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154239
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)sc2c1CCC2	ZINC22_2808181,PC-id_40446185,CoCoCo_6589780	494.627	RGLUKCWJLGKSSK-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154240
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	SCHEMBL16224721,PC-id_117688900	494.627	ZMJPUTTTZIYHQF-IBGZPJMESA-N	00000010100000101001000010000000000000000000000000000000	25-01-154241
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	PC-id_117688956,SCHEMBL16224802	494.627	RMSMNANIRNTMCQ-SFHVURJKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154242
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331785150,MCULE-3640894313	494.629	ACZXCDNHBSPQTG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154243
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCCC)sc2CCCc2c1C#N	EMOLS-id_331786687,MCULE-8890457196	494.629	QMMMTUZVUKVBJX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154244
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_331790011,MCULE-7248286299	494.629	MTGQGSFZGCXYBU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154245
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-8963663001,EMOLS-id_331789233	494.629	KIDRSXQRXWLHGY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154246
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-2217308906,EMOLS-id_331789237	494.629	CZNDEBNSGKJGEX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154247
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6378522,PC-id_59508200	494.629	CALIHIBNDTYCQW-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-154248
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1CC(C)N(C[C@@H]1C)CC1CCOCC1	PC-id_122626157,SCHEMBL18155700	494.629	NXGRGDHIASYDHW-GPJFCIFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154249
CC(C)C1c2c(CN1Cc1ccc(cc1)C#N)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170962,SCHEMBL19772135	494.629	FTBPCBUQGLGTBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154250
CC(C)C1c2c(CN1Cc1cccc(c1)C#N)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19771986,PC-id_134170818	494.629	HQRDEFOPRQLAPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154251
CC(C)[C@@H]1N(Cc2ccc(cc2)C#N)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB_PC-id_145713359,PC-id_145713359,BindingDB-id_722798	494.629	FTBPCBUQGLGTBX-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154252
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	PC-id_66738771,SCHEMBL596812	494.629	OCYAROWEJZQVBG-MOPGFXCFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154253
C[C@H]1CN(CC2CCOCC2)[C@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1)C	SCHEMBL18155672,PC-id_122626131	494.629	OCYAROWEJZQVBG-OALUTQOASA-N	00000010100010110001000010000000000000000000000000000000	25-01-154254
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1C)CC1CCOCC1	PC-id_59508160,SCHEMBL6378510	494.629	ZGPVOLOFPFYLFR-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-154255
N#Cc1ccc(cc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368069	494.629	IHBFILHBKHAPNO-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154256
N#Cc1cccc(c1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368102	494.629	HQRDEFOPRQLAPP-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-154257
N#Cc1ccc(cc1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18378785	494.629	FTBPCBUQGLGTBX-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-154258
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4cc(ccc4)C)c3C2)(C)C)C)CC1	PC-id_72310339	494.629	CALIHIBNDTYCQW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154259
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2sccc2)nn1)C(=O)OCC	PC-id_24124078	494.631	SETPTLVEFUORHQ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-154260
c1(NC(=O)C(c2ccccc2)Cc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331817,MCULE-2183343800	494.647	IIZYMEQPEMYXMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154261
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331928081,MCULE-8083531907	494.649	WSISOCBCKPHUMC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154262
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331932180,MCULE-6398413903	494.649	GFLUKNBIFHAWKU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154263
C[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[N@H+](Cc1c(C)nn(c1C)[C@H]1CCS(=O)(=O)C1)C	GD-id_ZINC09605884,PC-id_41142618	494.651	PFMKKAUJTJZOQO-GJZGRUSLSA-O	00000010100000000001100010000000000000000000000000000000	25-01-154264
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C2CCCC2)nn1)C)C(=O)OCC	PC-id_24160092	494.651	AKJQKWILLBLUPV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-154265
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)C2CCCCC2)nn1)C(=O)OCC	PC-id_23962615	494.651	DBNSDAMWRAINFC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154266
S1(=O)(=O)C[C@H](n2nc(c(c2C)C[NH+]([C@@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)C)CC1	PC-id_25956518	494.651	PFMKKAUJTJZOQO-HUUCEWRRSA-O	00000010100000000001100010000000000000000000000000000000	25-01-154267
S1(=O)(=O)C[C@H](n2nc(c(c2C)C[NH+]([C@H](C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)C)CC1	PC-id_41142614	494.651	PFMKKAUJTJZOQO-LSDHHAIUSA-O	00000010100000000001100010000000000000000000000000000000	25-01-154268
S1(=O)(=O)CC(n2nc(c(c2C)C[NH+](C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)C)C)CC1	PC-id_74485634	494.651	PFMKKAUJTJZOQO-UHFFFAOYSA-O	00000010100000000001100010000000000000000000000000000000	25-01-154269
[Sn](C1=Cc2[se]c([Sn](C)(C)C)cc2C1)(C)(C)C	PC-id_57952945	494.676	UWPISGFWHVPNBD-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-154270
CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nnc1[C@H]([NH+](C)C)CC	PC-id_41136687,GD-id_ZINC09588834	494.694	WMVHFKIPJJOTSP-MRXNPFEDSA-O	00000010100000000001000010000000000000000000000000000000	25-01-154271
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)[C@@H]([NH+](C)C)CC)CCCC)C(=O)OCC	PC-id_41136690	494.694	WMVHFKIPJJOTSP-INIZCTEOSA-O	00000010100000000001000010000000000000000000000000000000	25-01-154272
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C([NH+](C)C)CC)CCCC)C(=O)OCC	PC-id_74748730	494.694	WMVHFKIPJJOTSP-UHFFFAOYSA-O	00000010100000000001000010000000000000000000000000000000	25-01-154273
COc1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc(Br)c1O	EMOLS-id_324884487	494.746	WVUHTNFWGDNPGK-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154274
COc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc(Br)c1O	EMOLS-id_324842748	494.746	HEMMAIOWYJGFRG-NVNXTCNLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154275
COc1ccccc1OCc1nc2s/c(=Cc3cc(Cl)cc(Br)c3O)/c(=O)n2n1	EMOLS-id_324870660	494.746	APLGTBVATVSROX-CHHVJCJISA-N	00000000100000110001000010000000000000000000000000000000	25-01-154276
COc1cccc(OCc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)c1	EMOLS-id_324876806	494.746	ZSHUEFIYBILOHE-UUASQNMZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154277
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1ccccc1OC	MCULE-5636332603	494.746	APLGTBVATVSROX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154278
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1cccc(OC)c1	MCULE-4888440113	494.746	ZSHUEFIYBILOHE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154279
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1ccccc1Cl	MCULE-2711234051	494.746	WVUHTNFWGDNPGK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154280
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1ccc(Cl)cc1	MCULE-9943029767	494.746	HEMMAIOWYJGFRG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154281
CCCCCc1cc(CCCCC)c(c(c1)[Si](C1C(=C(c2c1sc(c2)C)C)C)(C)C)OCC=C	PC-id_21880908,SCHEMBL2913413	494.847	LGTHRHFAYCXFAW-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-154282
CC(SC1SC(c2c1c(sc2SC(C)(C)C)SC(C)(C)C)SC(C)(C)C)(C)C	PC-id_101614736	494.927	RVYXIWDVHIPUJB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-154283
CN1C(=O)C2=C(SC(=C2C1=O)[Sn](C)(C)C)[Sn](C)(C)C	PC-id_153664306	494.934	ANDOAZWFUULQHY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-154284
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)Cl)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	TIMTEC524046,ZINC22_11914224,MCULE-6626799903,CoCoCo_2236359,EMOLS-id_9880457,PC-id_16453860	494.95	WIHCACPOOMCHFB-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154285
c1(NC(=O)c2c(=O)ccn(c3cccc(Cl)c3)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2528485401,CoCoCo_2236318,STOCK6S-05501,PC-id_16453073,ZINC22_9130462,EMOLS-id_2644322	494.95	VZCZCVKSHMUOSL-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154286
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CS(C1)(C)N=O)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920559,PC-id_134302847	494.967	YAIMUNIYFIFEII-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154287
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CC)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	SCHEMBL21033068,ChEMBL-DNDi_CHEMBLD053-0349,ZINC22_8867348,CoCoCo_6210374,TIMTEC315822,MCULE-3324269430,EMOLS-id_9391451,PC-id_16438074	494.972	MPYXFSOAUJTSTM-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-154288
Clc1c(OCC(C)C)c(OC)cc(C(=O)OC(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)c1	PC-id_24498516	494.988	ANROAYMHAGTWHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154289
c1(NC(=O)COc2cccnc2NC(=O)CCCc2ccc(cc2)Cl)sc2c(CCC2)c1C#N	EMOLS-id_321807728,MCULE-9070800948	494.993	DPFKPSMVFFAEAE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154290
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CC=C)sc2CCCc2c1C#N	MCULE-5479379921,EMOLS-id_332716608	494.993	JIWKPAUXTJDMFH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154291
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CC=C)sc2CCCc2c1C#N	MCULE-3808624091,EMOLS-id_332717121	494.993	RBUGIMXWGITGQR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154292
Clc1ccc(C2NNC(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)NC2=O)cc1	PC-id_85491054	495.015	PVQPSGCHRPEUNX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154293
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-4082199323,EMOLS-id_321734715	495.015	MLHNXDNUEMLVRR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154294
Clc1ccc(C2(CCCC2)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc1	PC-id_44053360	495.036	AYBIYFJDZSSKOX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154295
Clc1ccc(CN2C(Cc3sccc23)C(=O)N2CCC(CC2)C(=O)NCc2cccnc2)cc1	PC-id_70998680,SCHEMBL13812461	495.036	FVOCLNSNSHVQNW-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-154296
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCN(CC4)CCc4ccccc4)c3n2)cc1	PC-id_16947478	495.036	JWGYYGDXVWQYPU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154297
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)NC4CCN(CC4)Cc4ccccc4)c3n2)cc1	PC-id_16947481	495.036	UDDDZPLWLWUUBC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154298
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4OC	PC-id_164931923	495.139	CLJCEBJPKHMJKY-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154299
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4OC	PC-id_164931974	495.139	CLJCEBJPKHMJKY-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154300
Clc1cc(C(=O)Cc2nc3n(c2=CC(=O)c2cc(Cl)c(Cl)cc2)c(nn3)N)ccc1Cl	PC-id_343320	495.146	PJOVLKGASZSGGY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154301
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-1894848655	495.473	CTPNPECPZUVIRB-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154337
Nc1nnc2nc(CC(=O)c3ccc(Cl)c(Cl)c3)/c(=C/C(=O)c3ccc(Cl)c(Cl)c3)/n12	NSC382734,ZINC22_104247298,LI_194209,CoCoCo_5636573	495.146	PJOVLKGASZSGGY-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154302
Nc1nnc2nc(CC(=O)c3ccc(Cl)c(Cl)c3)/c(=CC(=O)c3ccc(Cl)c(Cl)c3)/n12	SPECS-id_AT-225/NB51201,PC-id_51058925,CoCoCo_5636574,ZINC22_104247293	495.146	PJOVLKGASZSGGY-LZYBPNLTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154303
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=CC=CC=C3C)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587074	495.285	FXDBJUAWZYOAOL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154304
COc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324846328	495.293	BBCCGFDUKWRWJC-UUASQNMZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154305
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)COc1ccc(cc1Cl)Cl	MCULE-5512504701	495.293	BBCCGFDUKWRWJC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154306
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOCC3)C(=NN2)NC4=CC=C(C=C4)NC(=O)C=C)C	PC-id_154963730	495.296	WOCNOOCOZFSURY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154307
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2)NC4=CC=C(C=C4)NC(=O)C=C)C	PC-id_153631863	495.296	WOCNOOCOZFSURY-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154308
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2)NC4=NC=C(C=C4)CC(=O)C=C)C	PC-id_164993360	495.296	KSTDSUQQLSHCOQ-OAQYLSRUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154309
c1(NC(=O)COC(=O)c2cc(OC)c(c(OC)c2Br)OC)sc2c(CCC2)c1C#N	EMOLS-id_5642886,MCULE-9147360715,SPECS-id_AP-906/42845748,ZINC22_646734,PC-id_993407,CoCoCo_5205242	495.344	DBIGOZMOTWJVFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154310
n1(N)c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	MCULE-6254182942,EMOLS-id_335763673	495.405	CMYOGMXAIHMJFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154311
n1(N)c(COc2c(Cl)ccc(Cl)c2)nnc1SCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_335760605,MCULE-3681226551	495.405	MQCIIBBSWUYKFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154312
Brc1cc2c(s1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18587239	495.408	AKIFQMQAWAUZIT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-154313
Brc1cc2c(s1)C(=O)N(C2)CC[C@@](S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18587248	495.408	AKIFQMQAWAUZIT-LRHAYUFXSA-N	00000010100010000000000010000000000000000000000000000000	25-01-154314
Brc1cc2c(s1)C(=O)N(C2)CC[C@](S(=O)(=O)C)(C(=O)NO[C@H]1CCCCO1)C	SCHEMBL18587238	495.408	AKIFQMQAWAUZIT-GUYCJALGSA-N	00000010100010000000000010000000000000000000000000000000	25-01-154315
Clc1c(C(=O)N2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)ccc(Cl)c1	PC-id_60444222	495.422	SBRPKHMDLWFWQG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154316
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1CC=Cc1ccc(cc1)C(F)(F)F)C(=O)O	PC-id_91173307	495.452	CCRNTZUIGWWSLV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154317
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OCC=Cc1ccc(cc1)C(F)(F)F	PC-id_86604377,SCHEMBL1775748	495.452	MGZFQOJHXCVYBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154318
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OCC=Cc1cc(ccc1)C(F)(F)F	PC-id_89437280	495.452	XLUDXMAWDKOGEG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154319
CC=CC1C(N(CCN1C(=O)O)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1ccc(cc1)C(F)(F)F	PC-id_87063380	495.452	MJRPVPQWCXYKON-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154320
CC=CC1C(N(CCN1C(=O)O)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1cc(ccc1)C(F)(F)F	PC-id_87925671	495.452	IBEQDSIKQPTHNT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154321
C=CCOC(=O)N1CCN(C(C1)c1ccc(cc1)C(F)(F)F)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69137047,SCHEMBL4668836	495.452	UCLIKCRLGSZRPQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154322
FC(F)(F)c1cc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2CC=C)C(=O)O)ccc1	PC-id_69635405	495.452	JUSUKQOLXFQVTP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154323
FC(F)(F)c1cc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN([C@H]2C=CC)C(=O)O)ccc1	PC-id_69635411	495.452	IBEQDSIKQPTHNT-AFJQURTJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154324
FC(F)(F)c1ccc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2CC=C)C(=O)O)cc1	PC-id_66888017	495.452	LDXZYZRQYGGVOT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154325
FC(F)(F)c1ccc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN([C@H]2C=CC)C(=O)O)cc1	PC-id_66589234	495.452	MJRPVPQWCXYKON-AFJQURTJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154326
FC(F)(F)c1ccc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN([C@@H]2C=CC)C(=O)O)cc1	PC-id_66888019	495.452	MJRPVPQWCXYKON-SRWJYRBRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154327
FC(F)(F)c1cc(C=CCC2N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)ccc1	PC-id_69635398	495.452	MESTYCMXOKUFLI-LFABVHOISA-N	00000010100010110001000010000000000000000000000000000000	25-01-154328
FC(F)(F)c1cc(C=CCC2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)ccc1	PC-id_77712993	495.452	MESTYCMXOKUFLI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154329
FC(F)(F)c1ccc(C=CCC2N(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)cc1	SCHEMBL4668832,PC-id_69137045	495.452	CCRNTZUIGWWSLV-FBLFFUNLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154330
FC(F)(F)c1ccc(C=CCC2N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)cc1	SCHEMBL57353,PC-id_66589230	495.452	CCRNTZUIGWWSLV-LFABVHOISA-N	00000010100010110001000010000000000000000000000000000000	25-01-154331
FC(F)(F)c1ccc(/C=C/COC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_10255220	495.452	MGZFQOJHXCVYBP-NSCUHMNNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154332
FC(F)(F)c1ccc(/C=C/COC(=O)N2CCN(C[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_10391058	495.452	MGZFQOJHXCVYBP-GMKGHPLGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154333
FC(F)(F)c1ccc(/C=C/COC(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_10458461	495.452	MGZFQOJHXCVYBP-ATKOVBFVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154334
FC(F)(F)c1ccc(C=CCOC(=O)N2C(C([N+](=O)[O-])C3(Oc4n(C3)ccn4)C)CNCC2)cc1	PC-id_69184105,SCHEMBL4774952	495.452	BENUSDRSVOGEIN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154335
O=C(N1CCN(CC1)C[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])OCC=Cc1ccc(cc1)C(F)(F)F	PC-id_140503032	495.452	MGZFQOJHXCVYBP-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154336
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C(CO)(F)F)C	PC-id_118368873,SCHEMBL17080606	495.496	LRXUKWABHYBWJP-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154339
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C(CO)(F)F)C	SCHEMBL17080609,PC-id_118368878	495.496	LRXUKWABHYBWJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154340
C[Se]c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	PC-id_144742216	495.497	LQERLAQGRSYTRO-SFHVURJKSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154341
COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC	EMOLS-id_43751653,CoCoCo_3000929,MCULE-5024142884,ZINC22_8825498,PC-id_16272844	495.504	JIWWLKWOMOPUCT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154342
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2occc2)cccc1)C)C(=O)OC	PC-id_4111906	495.504	KVYJUEIFBKZZFS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154343
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2occc2)cccc1)C)C(=O)OC	PC-id_9647647	495.504	KVYJUEIFBKZZFS-LGJNPRDNSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154344
CCC1CN(CCN1C(=O)O)S(=O)(=O)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL18011983,PC-id_122484664	495.506	OLWWCFLGVNINAF-YBMSBYLISA-N	00000010100010110001000010000000000000000000000000000000	25-01-154345
CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_117999649,SCHEMBL16624970	495.506	QGMATUJZELIVBP-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154346
CC(C)C1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1cc(c(cc1)F)F	PC-id_134170838,SCHEMBL19772007	495.508	AQOGCSSSIMURHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154347
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F)Cc1ccc(c(c1)F)F	SCHEMBL18367904	495.508	AQOGCSSSIMURHC-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154348
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2c(F)cccc2)ccc1)C(=O)OC	PC-id_3498343	495.523	NYVGTHKVDNEXCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154349
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2c(F)cccc2)ccc1)C(=O)OC	PC-id_9623287	495.523	NYVGTHKVDNEXCZ-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154350
Fc1c(NC(=O)NN2Cc3c([nH]nc3NC(=O)C(c3ccc(N4CCCC4)cc3)C)C2)ccc(F)c1	PC-id_68442498,SCHEMBL2923665	495.524	FJUXFHZENWLRMP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154351
Fc1c(N(N2Cc3c([nH]nc3NC(=O)C(c3ccc(N4CCCC4)cc3)C)C2)C(=O)N)ccc(F)c1	SCHEMBL7175100,PC-id_70012700	495.524	MYAWZDCXFRKLAT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154352
c1(NC(=O)COc2cccnc2NC(=O)C=Cc2ccc(N(=O)=O)s2)sc2c(CCC2)c1C#N	MCULE-2591439650	495.531	MQSICFKOUKPTGJ-UHFFFAOYSA-N	00000010100100101000000010000000000000000000000000000000	25-01-154353
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2ncccc2OCC(=O)Nc2sc3CCCc3c2C#N)s1	EMOLS-id_321807217	495.531	MQSICFKOUKPTGJ-SOFGYWHQSA-N	00000010100100101000000010000000000000000000000000000000	25-01-154354
CC(C)CC(CN(C)C)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(F)(F)F	SCHEMBL15252915,PC-id_89801229	495.538	IHSAAJPYFITLOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154355
CC(C[C@H](OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(F)(F)F)CN(C)C)C	SCHEMBL12879362,PC-id_58015681	495.538	IHSAAJPYFITLOT-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154356
NC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)sc2c1CCC2	EMOLS-id_26032262,PC-id_2125977,ZINC22_2661990,CoCoCo_4955357,MCULE-8541051406	495.544	LHJLZUWCQGXHGV-AWEZNQCLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154357
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F	CoCoCo_4955358,PC-id_2125978	495.544	LHJLZUWCQGXHGV-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154358
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OC)c1ccc(F)cc1	PC-id_16923903	495.544	JXYSYHYGEVIBAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154359
S(=O)(=O)(N1C(CCC1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1c(F)cccc1	PC-id_4315918	495.544	LHJLZUWCQGXHGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154360
CCOC(=O)[N+]1(N=C(c2c1scc2)NC(=O)c1ccc(cc1)F)C(=O)NC(c1ccccc1)(C)C	SCHEMBL745356,PC-id_66787575	495.546	JEEVSBRHBUQJSX-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-154361
c1(NC(=O)c2cc(OC)c(cc2N(=O)=O)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3130803147,EMOLS-id_334328239	495.547	VQQQSZPHXSMWCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154362
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)OC	PC-id_89238403,SCHEMBL14057139	495.547	VUTUJXCPFUAWJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154363
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1OC	SCHEMBL14056114,PC-id_89237497	495.547	AQGKPQFCYZDZES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154364
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(c(c1)OC)C(=O)NCCc1ccccc1	PC-id_89237559,SCHEMBL14056187	495.547	BNIQLKXYTUUATQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154365
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1OC)NC(=O)CCc1ccccc1	SCHEMBL14055522,PC-id_89236972	495.547	KMRNERYDACCUSQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154366
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_16948053	495.547	ZQQLYUOMRMHHDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154367
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-9079949349	495.549	ALNZERIOQYOCRW-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154368
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)OCCCC)sc2CCCc2c1C#N	MCULE-6079509030,EMOLS-id_333648785	495.551	NAWJVCRDYNXEPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154369
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(OC)cc3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053321	495.551	LZSCFJOVDFFMLS-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154370
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(OC)ccc3)n(nc2C1)CC(=O)NCc1occc1	PC-id_44053320	495.551	DRAPUQYVXCFQIB-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154371
CCOc1c(ccc(c1)C(CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)NC(=O)C)OC	PC-id_137355588,SCHEMBL20580072	495.569	HVXKIHQUPBEPJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154372
CCOc1c(ccc(c1)[C@H](CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)NC(=O)C)OC	PC-id_137355894,SCHEMBL20580405	495.569	HVXKIHQUPBEPJC-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154373
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)N(C)C)N1C(=O)c2csc(c2C1=O)NC(=O)C)OC	SCHEMBL20580070,PC-id_137355586	495.569	HVXKIHQUPBEPJC-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154374
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328216959,MCULE-2646288741	495.569	WCTMGAAFGBJLMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154375
s1c2c(CCC2)c(c1NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1)C(=O)N	PC-id_5224787	495.569	ZCHOSELRKMRMAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154376
FC(Oc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)F)F	PC-id_140883036	495.57	UJFLCDQONWYLKY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-154377
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccc(cc2)C)cc1)C#N	PC-id_16522015	495.571	DGAMRUQCZAYUNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154378
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1)C#N	PC-id_16520945	495.571	XVVPYKMKIKCIPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154379
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(S(=O)(=O)N(c2ccccc2)C)cccc1)C#N	PC-id_16514800	495.571	GMDRVKBHWAVMIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154380
Cc1nn2c(nc(n2)C(C)CNC(=O)CC(C)C)c1=CC=C(C)C=Cc1c(n(c(=O)n(c1=O)C)C)O	SCHEMBL13616168,PC-id_136084582	495.574	VRFKBDUPSVTUKZ-UHFFFAOYSA-N	00000000100000100001000010000000000000000000000000000000	25-01-154381
s1c2CCCc2cc1C(=O)NNC(=O)c1nc(C(=O)NNC(=O)c2sc3CCCc3c2)ccc1	PC-id_43070393	495.574	BRNPLEFKYCNNKV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154382
s1c2CCCc2c(c1NC(=O)COC(=O)c1c(NC(=O)CSc2n(ccn2)C)cccc1)C#N	PC-id_24346581	495.574	ZGPQFRRMJUBFHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154383
CC1(c2c(CN1C(=O)Nc1c(cc(cc1F)OC)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195459,SCHEMBL20348591	495.586	VNVOROUXHCFIOT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154384
CC1(c2c(CN1C(=O)Nc1ccccc1OC(F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348578,PC-id_135195446	495.586	YGJOEEYSPXANON-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154385
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2c1CCC2	EMOLS-id_3466318,MCULE-7739777366,ZINC22_34874305,PC-id_4804280,CoCoCo_3574348	495.587	QQTSEVVLGULXFQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154386
c1(NC(=O)C2CCN(CC2)S(=O)(=O)C)c2CSCc2nn1CC(=O)NCc1ccc(cc1)F	MCULE-6074880627,EMOLS-id_24913613,CoCoCo_5277808,PC-id_30862845,ZINC22_23139626	495.591	KTIGJILRZYRPLK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154387
CCCOc1ccc(/C=c/2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1OCC	EMOLS-id_324894221	495.591	XLAAYBIHFYVUNN-KQWNVCNZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154388
CCCOc1ccc(/C=c/2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1OCC	EMOLS-id_324890629	495.591	BRMBQZJBXMOKFQ-QJOMJCCJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154389
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3242686710	495.591	XLAAYBIHFYVUNN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154390
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)CCCOc1ccc(cc1)OC	MCULE-3600745261	495.591	BRMBQZJBXMOKFQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154391
s1c2CCCc2c(c1NC(=O)COC(=O)c1ccc(OCC(=O)N2C(CCCC2C)C)cc1)C#N	PC-id_16507825	495.591	IJVDZHRUNAJMIY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154392
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CC=C)sc2CCCc2c1C#N	MCULE-5459847299,EMOLS-id_331925013	495.594	IZEYOPDFFJKDAT-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154393
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CC=C)sc2CCCc2c1C#N	MCULE-1201198482,EMOLS-id_331925267	495.594	NQTJHNRHXAJGNX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154394
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)NS(=O)(=O)C	PC-id_10300347,SCHEMBL2918066	495.594	LTQIAQARDMCWDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154395
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCOC)CCOC)sc2c(CCC2)c1C(=O)NC	MCULE-9932898560,ZINC22_15822835,CoCoCo_2590298,EMOLS-id_16349177,PC-id_22582894	495.612	ZQJXOHRLRXMKSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154396
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331789750,MCULE-6219959307	495.614	LTWAKKIOXYLKJH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154397
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331790520,MCULE-5447783917	495.614	XJGXAECYEQBIDJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154398
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCO)sc2CCCc2c1C#N	MCULE-8826877853,EMOLS-id_331790780	495.614	WSDAPAQIECAQFI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154399
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCOC)sc2CCCc2c1C#N	MCULE-7670963909,EMOLS-id_331785662	495.614	OJUVZHZUTUIXMN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154400
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCO)sc2CCCc2c1C#N	EMOLS-id_331791292,MCULE-1997874998	495.614	IQJBIIZFZQIPKC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154401
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331788734,MCULE-4671665503	495.614	ZLSRQNGIYFVNHE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154402
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331788466,MCULE-3266124092	495.614	PGHGYJQTWDZECP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154403
Cc1cc(ccc1)CCNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	SCHEMBL14056656,PC-id_89237986	495.614	TWRXNVVRNOQSIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154404
Cc1cc(cc(c1)CNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C)C	PC-id_89238184,SCHEMBL14056890	495.614	YLFUHOLIJNTXBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154405
Cc1c(ccc(c1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C)C(=O)NCCc1ccccc1	PC-id_89236749,SCHEMBL14055252	495.614	HHYXABCLDFSXCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154406
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCCc1ccccc1	PC-id_89236139,SCHEMBL14054362	495.614	ITSZLWBGGJCCBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154407
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N(CCc1ccccc1)C	SCHEMBL14055583,PC-id_89237028	495.614	HGRFZHHLXXRPRW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154408
CCOC(=O)c1c(sc2c1CCC2)NC(=O)/C(=C(/Nc1ccc(cc1)OC)[S-])/[n+]1ccccc1	CoCoCo_3793185,CoCoCo_3793186,PC-id_135601004,EMOLS-id_313819511	495.614	UGNGMIRIXWRJAP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154409
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC(=O)NCCOC)C1	PC-id_44053032	495.615	IGTUTKPCXYPVHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154410
S(=O)(=O)(N1CCN(CCC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)c1c(onc1C)C	PC-id_24541314	495.615	WFBWXVDCSBUIPV-UHFFFAOYSA-N	00000010100000000101000010000000000000000000000000000000	25-01-154411
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCCC)sc2CCCc2c1C#N	EMOLS-id_331784895,MCULE-1309595721	495.617	HEZQDWBMPYWXCH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154412
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CC(C)C)sc2CCCc2c1C#N	MCULE-6350520919,EMOLS-id_331787453	495.617	PEDHRRXPSJXBMH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154413
Cc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1	SCHEMBL598018,BindingDB_PC-id_59508295,PC-id_59508295	495.617	AJNCLBOKRKOWMI-MSOLQXFVSA-N	00000010100010101001100010000000000000000000000000000000	25-01-154414
Cc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6376569,PC-id_59508168	495.617	MBQDHOKILAKPNG-SFHVURJKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154415
Cc1ccnc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6378403,PC-id_59508204	495.617	IBLHTCNAUFDKIY-SFHVURJKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154416
CC(C)C1c2c(CN1Cc1ncc(cc1)C#N)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772219,PC-id_134171039	495.617	ZBHFXBRWNHFGHE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-154417
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_25014995,SCHEMBL596934,BindingDB_PC-id_25014995,TT-id_D0X6GP	495.617	WIUOWTNXQICTJG-MSOLQXFVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154418
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(n1)C)CC1CCOCC1	SCHEMBL6378505,PC-id_59508251	495.617	KCVIYNRWADYULU-SFHVURJKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154419
COc1ccc(c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2C[C@H]2CCCO2)cc1	CoCoCo_3630510,PC-id_2389904,GD-id_ZINC03273886,ZINC22_3273886	495.617	HXJSAQXVLDJSJZ-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154420
COc1ccc(c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2C[C@@H]2CCCO2)cc1	ZINC22_3273887,CoCoCo_3630509,PC-id_2389905	495.617	HXJSAQXVLDJSJZ-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154421
COc1ccc(cc1)c1nnc(n1CC1CCCO1)SCC(=O)Nc1sc2c(c1C#N)CCC2	CHEMBL1458134,MCULE-9353308974,EMOLS-id_3069065,PC-id_2999120	495.617	HXJSAQXVLDJSJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154422
N#Cc1ccc(nc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368033	495.617	ZBHFXBRWNHFGHE-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-154423
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(cc4)C)c3C2)(C)C)C)CC1	PC-id_72310308	495.617	MBQDHOKILAKPNG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154424
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4nccc(c4)C)c3C2)(C)C)C)CC1	PC-id_72310343	495.617	IBLHTCNAUFDKIY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154425
O1CCC(N2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(cc4)C)c3C2)(C)C)C)CC1	PC-id_72310428	495.617	AJNCLBOKRKOWMI-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-154426
c1(NC(=O)C(c2ccccc2)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-1039955298,PC-id_19167720	495.632	MNUMWRYVFCLNRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154427
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3C)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332329,MCULE-5855542525	495.634	OVJUBQKFLPLUEB-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-154428
s1c2c(CCC2)c(c1NC(=O)CSc1sc(=S)n(n1)c1ccc(F)cc1)C(=O)OCC	PC-id_3644764	495.634	UBSVWZJRCBFAPF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154429
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_19711681	495.635	LKPAEZJESXUTOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154430
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CC=C)sc2CCCc2c1C#N	EMOLS-id_331927316,MCULE-6873787532	495.637	ZXEHQMAUNBFFOO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154431
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCN(C)C)sc2CCCc2c1C#N	MCULE-8977482548,EMOLS-id_331930136	495.637	LBXKIYJSXOLCCW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154432
CN1CCN(S(=O)(=O)c2ccc(SCC(=O)Nc3sc4c(c3C(=O)N)CCC4)nc2)CC1	EMOLS-id_43974377,PC-id_16331570,CoCoCo_4182553,MCULE-6139033407,ZINC22_36452479	495.639	AMQCEZGHMGWEAZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154433
NC(=O)c1c(NC(=O)CSc2nnc(Cc3cccs3)n2c2ccccc2)sc2c1CCC2	CoCoCo_4181500,PC-id_16367300,SCHEMBL21045445,EMOLS-id_11816322,ZINC22_9516465,MCULE-1934262108	495.64	KQWWQCYWXFCGSG-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-154434
s1c2c(CCC2)c(c1NC(=O)CSc1n(Cc2ccccc2)c(nn1)c1sccc1)C(=O)N	PC-id_27292623	495.64	PNWSNHUOSPPISP-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-154435
CCCCN(C(=O)C=C)CCNc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_145111608	495.66	HUCPDYUZYOBXAC-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154436
CCN(C(=O)C=C)CCC(Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C)C	PC-id_145111604	495.66	QHFXATWOSMGYPG-AVKWCDSFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154437
s1c2CCCc2c(c1NC(=O)CSc1n(CC(C)C)c(nn1)COc1ccc(cc1)CC)C#N	PC-id_24523565	495.66	ULIZOKSMORBWHT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154438
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C(=O)N	PC-id_24498052	495.66	MUDGLBPXVFJRMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154439
O=C([C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#C[Si](C)(C)C)C)NOC1CCCCO1	PC-id_140904858	495.664	SCYDOVGXRLZAGU-AVKWCDSFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154440
O=C(C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#C[Si](C)(C)C)C)NOC1CCCCO1	PC-id_140929925	495.664	SCYDOVGXRLZAGU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154441
COC(=O)c1c(NC(=O)COC(=O)C2CC3CCCC(C2)C23SCCS2)sc2c1CCC2	EMOLS-id_24963151,MCULE-3738749516,PC-id_45845994	495.675	XYADLNQHFAKNQL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154442
COC(=O)c1c(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C23SCCS2)sc2c1CCC2	PC-id_27546930,ZINC22_17151535	495.675	XYADLNQHFAKNQL-GOOCMWNKSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154443
COC(=O)c1c(NC(=O)COC(=O)[C@@H]2C[C@@H]3CCC[C@H](C2)C23SCCS2)sc2c1CCC2	CoCoCo_3971659	495.675	XYADLNQHFAKNQL-QDMKHBRRSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154444
COC(=O)c1c(NC(=O)COC(=O)[C@@H]2C[C@H]3CCC[C@@H](C2)C23SCCS2)sc2c1CCC2	CoCoCo_3971660	495.675	XYADLNQHFAKNQL-QKDCVEJESA-N	00000010100010000001000010000000000000000000000000000000	25-01-154445
Cc1ccc(cc1)C(C1Cn2c(S1)nc(n2)C)N1CCN(CC1)C(c1ccccc1)c1ccccc1	PC-id_71241369,SCHEMBL14665183	495.682	ZCQJRZVXYHTVPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154446
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)c(Cl)cc1	PC-id_44053285	495.777	KFPOQSWXIOAEJS-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-154447
Clc1ccc(NC(=O)Nc2n3C(=O)C(=Nc3nn2)C(C(=O)c2ccncc2)C(=O)C(=O)OC)cc1	PC-id_51059421,SPECS-id_AT-225/NB55263	495.832	JCAPONRHZVMLMI-UHFFFAOYSA-N	00000011100000111001000010000000000000000000000000000000	25-01-154448
COC(=O)C(=O)C(c1c(n2c(n1)N=N/C/2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)c1ccncc1	PC-id_137265857	495.832	XIQBPDFVRDRTOE-LHLOQNFPSA-N	00000011100000111001000010000000000000000000000000000000	25-01-154449
COC(=O)C(=O)[C@@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)c1ccncc1	PC-id_137119912	495.832	XIQBPDFVRDRTOE-ZDUSSCGKSA-N	00000011100000111001000010000000000000000000000000000000	25-01-154450
COC(=O)C(=O)[C@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)c1ccncc1	PC-id_137119913	495.832	XIQBPDFVRDRTOE-CYBMUJFWSA-N	00000011100000111001000010000000000000000000000000000000	25-01-154451
S(C1SC(=Nc2ccccc2)c2c1c(sc2SC(C)(C)C)SC(C)(C)C)C(C)(C)C	PC-id_15732751	495.851	RDPLRUUQSAGVSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154452
Clc1c(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cccc1	PC-id_4384761	495.956	NTVAMXJFLWWJKW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154453
Clc1cc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc1	PC-id_5227388	495.956	PMVILMSHJGTGOW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154454
Clc1ccc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_5205770	495.956	QVDWBSRGGVMUKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154455
C/C=CC=C(C1(CC1)NC(=O)C(=O)c1c2CCCn2c(c1C)C(=O)Nc1ccc(c(c1)Cl)F)/C=C	PC-id_142295162	495.973	HWQSZUVQFQFFGY-VHRUWASDSA-N	00100010100000110000000010000000000000000000000000000000	25-01-154456
Clc1ccc(c2oc(nc2)CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2occc2)cc1	PC-id_52088479	495.978	XBNBOMZONYNQFG-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154457
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(C)cc(C)cc2Cl)sc2c(CCC2)c1C#N	MCULE-1451527617,EMOLS-id_321902075	495.981	ZFMHKAODNRCJLK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154458
Clc1c(cc(S(=O)(=O)N(CC)CC)cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16521790	495.999	GIXLEWYDEHTKET-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154459
Clc1c(S(=O)(=O)N(CC)CC)cc(cc1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_16521855	495.999	DKSQZBLVRVUXNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154460
Clc1ccc(c2n(Cc3occc3)c(SCC(=O)Nc3sc4CCCc4c3C#N)nn2)cc1	PC-id_24518571	496.004	AHGQRNMYRLGETQ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154461
CCCCCCOc1ccc(/C=c/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_27022643	496.021	SXKXMWMXYWDUMN-RHLTYPCLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154462
CCCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC	EMOLS-id_45964821,ZINC22_16735189	496.021	SXKXMWMXYWDUMN-SEUFPGFTSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154463
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCC)c2=O)C=Cc1ccc(cc1)Cl	MCULE-9020322511	496.021	SXKXMWMXYWDUMN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154464
Cc1c(c(c(cc1)Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)F	SCHEMBL20060444,PC-id_134426833	496.041	SCGYSAMDQDFATF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154465
Cc1c(c(c(cc1)F)Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_135195488,SCHEMBL20348620	496.041	AHMJYROQHCTMRT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154466
Cc1c(c(c(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)Cl	PC-id_134426767,SCHEMBL20060376	496.041	OSGJGIIFTIXCGB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154467
Clc1ccc(cc1)NC(=O)c1c(NC(=O)C2CCCCC2NS(=O)(=O)C)sc2c1CCC2	SCHEMBL20353854,PC-id_135200278	496.043	AMMKDNRQEHUJEA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154468
BrCCCCCCN1Cc2c(S1(=O)=O)c(sc2Br)Br	SCHEMBL18325093	496.076	NKOLJMYVOMEJQZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-154469
CC1=CC(=CC(=C1C(C2=C3CCCC3=C(N2)C(=O)O)C4=C5CCCC5=C(N4)C(=O)O)C)Br	PC-id_155206356	496.1	TWUXOGFXJLZWTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154470
Brc1sc2=C/C(=C(C(F)(F)F)/c3cc4c(n3C)cc(s4)Br)/N=c2c1	PC-id_144830197	496.163	UMJKVPDLBGTZRP-VGOFMYFVSA-N	00000010100000000000000110000000000000000000000000000000	25-01-154471
Cc1c(ccc(c1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)N[C@](C)(C(=O)NC)C(F)(F)F)C)F	PC-id_163803732	496.173	NHEUADWLNDMEGO-JOCHJYFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154472
C=C(CNC(=O)CS)NCC(=O)NCC(=O)CC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_164112970	496.178	BJRJDAXWBNBDRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154473
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C4=NNN=N4)CC5=CC=C(C=C5)C(F)(F)F	PC-id_161058238	496.195	DDQWRKOOEAMYFH-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154474
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOCC3)C(=NN2)NC4=NC(=NC=C4)C(F)(F)F)C	PC-id_154963639	496.252	OEBCEPMDACJHEZ-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-154475
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2)NC4=NC(=NC=C4)C(F)(F)F)C	PC-id_153631901	496.252	OEBCEPMDACJHEZ-OAHLLOKOSA-N	00000010100010100001000010000000000000000000000000000000	25-01-154476
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)(CF)O)C	PC-id_149813112	496.285	BPPXJRUMKCCQAP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154477
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)(C5=CC=CC(=C5C)C)F	PC-id_151352645	496.285	OMUNPVGDDUCRNF-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154478
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5)C)F)C	PC-id_152002423	496.285	UGYXRUHMDURQQP-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154479
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=C(C=C5)F)C)C	PC-id_150816591	496.285	KIZWZYBYLBVFLX-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154480
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2)NC4=NC=C(C=C4)NC(=O)C=C)C	PC-id_153631906	496.291	BSVWKKBUSXXCEI-LJQANCHMSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154481
Brc1cc(C=NNC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c([O-])c([N+](=O)[O-])c1	PC-id_5543640	496.312	CIKOSFZNLMWLJE-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-154482
c1(NC(=O)c2ccccc2I)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333348,MCULE-9964885480	496.362	MFJOXQOYSIBTSX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154483
Clc1c(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)ccc(Cl)c1	PC-id_45607558	496.364	RLOJQKOYEPISOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154484
Clc1c([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)ccc(Cl)c1	PC-id_51911835	496.364	RLOJQKOYEPISOM-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154485
Clc1c([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)C)ccc(Cl)c1	PC-id_51911836	496.364	RLOJQKOYEPISOM-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154486
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-3748219047	496.365	FDOAITKJFUOOEP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154487
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1Br)CC)C(=O)OC	MCULE-5075216522,PC-id_19202156	496.371	KAAOWVINFBACKD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154488
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1CC)Br)C(=O)OC	PC-id_19202150,MCULE-8285115303	496.371	FAUUURNHTOFNPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154489
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1c(C)cc(cc1C)Br)C(=O)OC	MCULE-9792347001,PC-id_19175478	496.371	XIJQERHJXJXKLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154490
Brc1cccc(c1)C(=O)Nc1cccc(OCC(=O)Nc2sc3CCCc3c2C#N)c1	EMOLS-id_323220517,MCULE-7216544194	496.376	IHVUFSSSDPVGAT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154491
Brc1ccccc1C(=O)Nc1cccc(OCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-1318483088,EMOLS-id_323218720	496.376	DDJIUBLKAIGUAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154492
Brc1ccc(cc1)C(=O)Nc1cccc(OCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-6878619757,EMOLS-id_323161657	496.376	ROLABZTZNIDJEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154493
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCC(F)(F)F)Cc23)c(c1F)C(F)(F)F	BindingDB_PC-id_118483377,BindingDB-id_435306,PC-id_118483377,SCHEMBL17222906	496.397	WCFKZDUVRSHWNK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154494
N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)sc2c1CCC2	PC-id_44324374,BindingDB_PC-id_44324374,CHEMBL91333	496.398	ZKXYZWVHTYQGAW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154495
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1186557707,EMOLS-id_334334884	496.407	ANYYLDRNQXQJEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154496
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(=O)NCCOC)C1	PC-id_44053013	496.427	DZMURRXNGSHUFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154497
CCOC(=O)n1c2c(CNC2)c(n1)NC(=O)c1c(cncc1)N(C1CCOCC1)C(=O)C(F)(F)F	PC-id_87235222,SCHEMBL1371490	496.44	YANYDMRJDPWSTP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154498
FCOc1ccc(cc1)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL18031599,PC-id_122501610	496.445	VZHIWDXMBNEPMR-XMMPIXPASA-N	00000010100000110001100010000000000000000000000000000000	25-01-154499
COc1cccc(c1)S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL4279931,PC-id_24752452	496.582	WLTBDVMFDVHQGM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154554
FCOc1ccc(cc1)OCc1nnn(c1)c1cccc(c1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_122501622,SCHEMBL18031611	496.448	ZGJSJYPRJNJXOB-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154500
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1Cl	PC-id_22194731	496.45	LXXKPNSGHXCTPZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154501
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_17279859	496.45	WUPMNTPXLLUYNS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154502
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_22195561	496.45	XXOPFJAWNIPNPI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154503
CNC(C1(NC(=O)C(=O)c2n3CCCc3c(c2C)C(=O)Nc2ccc(c(c2)F)F)CC(C1)(F)F)O	PC-id_139525412,SCHEMBL21398707	496.455	AWOFKTPSXZGBDE-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154504
FC(F)(F)c1ccc(CCN(C2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)[O-])cc1	PC-id_69482924,SCHEMBL5547615	496.46	WHRSEJQCSZHXHU-NRFANRHFSA-M	00000010100010110001000010000000000000000000000000000000	25-01-154505
FC(F)(F)c1ccc(CCN(C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)[O-])cc1	SCHEMBL5547610,PC-id_69482922	496.46	WHRSEJQCSZHXHU-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-154506
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(OC(F)(F)F)cc1)C)C(=O)N	PC-id_56386349	496.46	IVRUZFVEYNRBMZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154507
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(c(F)c2)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_321905904,MCULE-1823563375	496.471	XOELNPCODYWTJH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154508
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)C(F)(F)F)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1205727,PC-id_58015619	496.479	WKCUVGWHZAXTEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154509
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1oc(c2c(cc([N+](=O)[O-])cc2)C)cc1)C(=O)OC	PC-id_4066455	496.492	LJUPTWGSNSPJNM-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-154510
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1oc(c2c(cc([N+](=O)[O-])cc2)C)cc1)C(=O)OC	PC-id_9645019	496.492	LJUPTWGSNSPJNM-BHGWPJFGSA-N	00000010101000110000100010000000000000000000000000000000	25-01-154511
FCC1CCC(CC1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740126	496.498	QHGMILBHUDIACW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154512
FCC1CCC(CC1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740125	496.498	QHGMILBHUDIACW-FHERZECASA-N	00000010100010110001000010000000000000000000000000000000	25-01-154513
O=C(C1CCCCC1C(=O)O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)OC(F)(F)F)CCC2	PC-id_142393435	496.499	KKYIHOOINCIJHJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154514
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2ccccc2F)sc2CCCc2c1C#N	MCULE-5803970690,EMOLS-id_333660364	496.514	BELLPKSMVLEOKG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154515
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-7933258181,EMOLS-id_333662921	496.514	IVSDKGMWNSRXGH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154516
COc1ccc(cc1)C(=O)N1Cc2c(C1)c(nn2C(=O)c1ccccc1)N(c1ccc(cc1)OC)C=O	PC-id_141257342	496.514	ALDWGSINRSHOPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154517
c1(NC(=O)CCCSc2nc(cc(n2)C(F)(F)F)c2ccco2)sc2c(CCC2)c1C(=O)N	EMOLS-id_1437524,ZINC22_8934859,BAS-03609832,CoCoCo_304072,PC-id_3148160,MCULE-7219648032	496.526	OCGAHOAYYSPGOZ-UHFFFAOYSA-N	00000010101000100001100010000000000000000000000000000000	25-01-154518
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CC=C)sc2CCCc2c1C#N	MCULE-5159585218,EMOLS-id_332714306	496.529	NUXRKSIVKPYSDS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154519
Fc1c(OCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc(cc1)C	PC-id_5278907	496.531	SQPKXPLNASYIDP-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154520
Fc1c(OCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc(cc1)C	PC-id_78381742	496.531	SQPKXPLNASYIDP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154521
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NC(=O)c2occc2)c(cc1)C)C(=O)OCC	PC-id_4276232	496.532	AMDZKOYTZDNUCL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154522
c1(NC(=O)COc2nonc2C(=O)NCC(N(C)C)c2ccc(cc2)O)sc2CCCc2c1C#N	EMOLS-id_333716541,MCULE-7636474785	496.539	CKARMNKHYOPBAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154523
s1c2c(CCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1ccc(OC(F)(F)F)cc1)C)C(=O)N	PC-id_46595708	496.546	FIQMZGKTVBCHHT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154524
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332715846,MCULE-8907096602	496.554	AHDGWZYHLXJDPS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154525
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCCO)sc2CCCc2c1C#N	MCULE-3705383528,EMOLS-id_332717129	496.554	QJOZOZKEJLHGRC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154526
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCOC)sc2CCCc2c1C#N	MCULE-9488323919,EMOLS-id_332713802	496.554	KYVPRDVDWSCSAR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154527
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CCO)sc2CCCc2c1C#N	EMOLS-id_332717390,MCULE-5120962535	496.554	QBPZRTHTOXGEBJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154528
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCCO)sc2CCCc2c1C#N	EMOLS-id_332714314,MCULE-7529402370	496.554	LABVCOGVYKRURO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154529
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CC(C)O)sc2CCCc2c1C#N	MCULE-5447727023,EMOLS-id_332717126	496.554	MBWPWTVKRCDTJN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154530
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCOC)sc2CCCc2c1C#N	EMOLS-id_332710987,MCULE-6660422163	496.554	FACSAUVEDHZEHY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154531
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2NC(=O)COC)OC	SCHEMBL20579934,PC-id_137355470	496.554	XMKWKHUIJRQWRL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154532
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)COC)OC	SCHEMBL20579908,PC-id_137355449	496.554	HZDDZOCECKBHNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154533
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2NC(=O)COC)OC	PC-id_137355469,SCHEMBL20579933	496.554	XMKWKHUIJRQWRL-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154534
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)COC)OC	SCHEMBL20579907,PC-id_137355448	496.554	HZDDZOCECKBHNB-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154535
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)sc2c1CCC2	PC-id_41667383,CoCoCo_2905060,ZINC22_10793224,EMOLS-id_25620571,MCULE-5401172618	496.554	GMKASZWMHSTLHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154536
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053712	496.554	UYWHDYLIJGOBTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154537
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_24223388,MCULE-4934617233	496.555	IUAYQRDIFGMDIS-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154538
COc1ccc(cc1)/N=C/1S/C(=N/c2ccc(cc2)OC)/c2c1c(C(=O)OC)c(s2)C(=O)OC	CoCoCo_5777175	496.555	JCKAORPAQRCQAA-KOUJMYIZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154539
COc1ccc(cc1)/N=C
/S/C(=Nc2ccc(cc2)OC)/c2c1c(C(=O)OC)c(s2)C(=O)OC	CoCoCo_5777176	496.555	JCKAORPAQRCQAA-AERNQAQFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154540
COc1ccc(cc1)/N=C
/S/C(=N/c2ccc(cc2)OC)/c2c1c(C(=O)OC)c(s2)C(=O)OC	CoCoCo_5777177	496.555	JCKAORPAQRCQAA-CDTUYSNOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154541
COc1ccc(cc1)/N=C/1S/C(=Nc2ccc(cc2)OC)/c2c1c(C(=O)OC)c(s2)C(=O)OC	NSC710393,CoCoCo_5777174	496.555	JCKAORPAQRCQAA-ORFRIDJFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154542
s1c2c(c(c1C(=O)OC)C(=O)OC)/C(=N/c1ccc(OC)cc1)/SC2=Nc1ccc(OC)cc1	PC-id_399529	496.555	JCKAORPAQRCQAA-ZVQFLJIASA-N	00000010100000110000000010000000000000000000000000000000	25-01-154543
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c([N+](=O)[O-])c1	MCULE-6604713032,EMOLS-id_15233093,ZINC22_12540305,CoCoCo_3158196,PC-id_4335148	496.557	MUYGVDGTBLPADS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154544
s1c2c(CCC2)c(c1N=Cc1c(OC)cc(OC)c(OC)c1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_3655817	496.575	CFHNRASELPESJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154545
s1c2c(CCC2)c(c1/N=C/c1c(OC)cc(OC)c(OC)c1)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_9629792	496.575	CFHNRASELPESJH-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154546
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331928080,MCULE-2348733471	496.579	ILTVSTOXVSRCQZ-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-154547
s1c2CCCc2cc1C(=O)OCC(=O)N(CC(C)C)c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N	PC-id_43032769	496.579	SWCQYWSRSXMVFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154548
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC(=O)NCCc2ccccc2)C1	PC-id_44053760	496.579	DZDOCGJSKSYTGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154549
S1Cc2c(nn(c2NC(=O)Cc2cc(OC)c(OC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053578	496.579	QBHLBUYXFHQNJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154550
S1Cc2c(nn(c2NC(=O)COc2ccc(OCC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053571	496.579	CDAQTFLYAJEIFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154551
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331927323,MCULE-1809862647	496.582	BUTILCOFHHSSKN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154552
COc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_24752453,SCHEMBL4279609	496.582	YMJXETBAJHRWEP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154553
OCCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	PC-id_68988756,SCHEMBL4289169	496.582	LZHSXKDXPZJPGA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154555
OCCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL4289166,PC-id_24751739	496.582	GWGJUEXBKNYPLD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154556
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(F)cc1	PC-id_41167441	496.595	QQTSEVVLGULXFQ-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-154557
CCOC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)sc2c1CCC2	ZINC22_408614476	496.598	CRKQNDKETIROFY-DEOSSOPVSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154558
CCOC(=O)c1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)sc2c1CCC2	ZINC22_408614477	496.598	CRKQNDKETIROFY-XMMPIXPASA-N	00000010101000110001100010000000000000000000000000000000	25-01-154559
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)C(=O)OC	PC-id_4952998	496.598	PAPHKXHFHOGKNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154560
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCOc2ccccc2)ccc1)C(=O)OC	PC-id_4955229	496.598	VIHNNJHQOIHQST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154561
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCOc2ccccc2)cccc1)C(=O)OC	PC-id_4954587	496.598	YKEOSKTYOCIYMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154562
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331788729,MCULE-9593012892	496.602	XYIHQOLMRMHMBT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154563
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331792054,MCULE-4760855421	496.602	IHYONAVSSITTAI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154564
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCOC)sc2CCCc2c1C#N	EMOLS-id_331787966,MCULE-2109942039	496.602	GQKRBONPQCYCLI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154565
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_331790267,MCULE-7760731452	496.602	PRMLTEBJUMKSKY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154566
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-1843842272,EMOLS-id_331789489	496.602	JYJLCEQMJXBNKL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154567
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-5393243976,EMOLS-id_331789493	496.602	QKPKOJAKAMGJGW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154568
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cnccn1)C	PC-id_59508250,BindingDB_PC-id_59508250,SCHEMBL596340	496.605	RBAJTZRKAYVXGN-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-154569
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncccn1)C	SCHEMBL598609,BindingDB_PC-id_59508196,PC-id_59508196	496.605	PFNDHSGBDBZRMM-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-154570
O=C(N1Cc2c(C1C)[nH]nc2NC(=O)c1[nH]nc(c1)C1CC1)N1CCN([C@@H](C1)C)CC1CCOCC1	PC-id_122626120,SCHEMBL18155661	496.605	BUNUDCZHEDKVSH-AAFJCEBUSA-N	00100010100010000001100010000000000000000000000000000000	25-01-154571
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OCCCCCC)C#N)sc2c(CCC2)c1C(=O)OCC	PC-id_73550957,MCULE-5901639470	496.618	MTDRHADJQCYOSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154572
s1c2c(CCC2)c(c1NC(=O)/C(=C/c1cc(OC)c(OCCCCCC)cc1)/C#N)C(=O)OCC	PC-id_19172272	496.618	MTDRHADJQCYOSH-XDJHFCHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154573
c1(NC(=O)COc2cccnc2NC(=O)OC2CCC(CC2)C(C)(C)C)sc2c(CCC2)c1C#N	MCULE-4949346944,EMOLS-id_321797926	496.622	LYOINOCFSYIUHJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154574
c1(NC(=O)COc2cccnc2NC(=O)OC2CC(C)CCC2C(C)C)sc2c(CCC2)c1C#N	EMOLS-id_321794087,MCULE-3926067826	496.622	KQTSXMUPLBYXHG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154575
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CC2CCCO2)sc2CCCc2c1C#N	MCULE-7457598927,EMOLS-id_331924240	496.622	MNZFVOXXDVJPTP-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154576
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331919389,MCULE-8656770942	496.622	IKCVJQHALQTZIQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154577
CCOC(=O)c1c(NC(=O)/C(=C(/S)Nc2ccc(OC)cc2)/[n+]2ccccc2)sc2c1CCC2	GD-id_ZINC03342691,PC-id_2459144,ZINC22_3342691	496.622	UGNGMIRIXWRJAP-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-154578
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1ccc(cn1)S(=O)(=O)N1CCOCC1	MCULE-9721386748,PC-id_16342621,EMOLS-id_11785829	496.623	HVWYFKGYMKEGFG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154579
C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4172246,PC-id_41155015,ZINC22_9638473	496.623	HVWYFKGYMKEGFG-LBPRGKRZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154580
C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_41155016,ZINC22_9638477,CoCoCo_4172245	496.623	HVWYFKGYMKEGFG-GFCCVEGCSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154581
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CN1CCCCC1)c1ccc(F)cc1)C#N	PC-id_24577283	496.623	YLYRWLGPOGYLLS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154582
S1Cc2c(n(nc2C1)CC(=O)NCc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1	PC-id_44053359	496.623	QYIYXGWDOJCPFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154583
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1	PC-id_44053777	496.623	ULEOPMWMXGZRSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154584
S1Cc2c(nn(c2NC(=O)Cc2ccc(cc2)c2ccccc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053888	496.623	NVBPXTGPBZXLQD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154585
c1(NC(=O)COc2cccnc2NC(=O)NC2CC(C)(C)NC(C)(C)C2)sc2c(CCC2)c1C#N	EMOLS-id_321875833,MCULE-5349376951	496.625	UHUQSVRNBDGPEC-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154586
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CCc1ccccc1)CC=C)C(=O)OC	PC-id_17047359	496.645	VNDJIOXTGUONDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154587
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC=C)C(=O)OC	PC-id_20125116	496.645	RAUNBJKSWHJWOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154588
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC=C)C(=O)OCC	PC-id_20124567	496.645	MBWJOBPOBJRMEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154589
S(=O)(=O)(N1CC[NH+](CC1)C)c1ccc(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)nc1	PC-id_41243007	496.647	AMQCEZGHMGWEAZ-UHFFFAOYSA-O	00000010100010101001000010000000000000000000000000000000	25-01-154590
Cc1ccc(OCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)c(c1)C(C)(C)C	EMOLS-id_335766741,MCULE-3367070917	496.648	GZYNCFLFIXIVJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154591
C[C@@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)cc(n1)C)C	SCHEMBL20503344,PC-id_135331934	496.648	IETJKSWTKVOWBN-RTBURBONSA-N	00000010100010100001000010000000000000000000000000000000	25-01-154592
C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)cc(C)n3)n[nH]c2C1(C)C	BindingDB-id_546088,SCHEMBL3326246,BindingDB_PC-id_59333990,PC-id_59333990	496.648	IETJKSWTKVOWBN-MOPGFXCFSA-N	00000010100010100001000010000000000000000000000000000000	25-01-154593
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CN1CCCCC1)c1ccccc1)C(=O)N	PC-id_27425486	496.648	PGJVGNJBAMNRMH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154594
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331929104,MCULE-3425739173	496.665	YMHKLPHDURBNDR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154595
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCC(C)C)sc2CCCc2c1C#N	MCULE-4800793824,EMOLS-id_331934227	496.665	OQVZBJJFEYJXJN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154596
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCCCC)sc2CCCc2c1C#N	MCULE-6735703073,EMOLS-id_331933969	496.665	HHEHTZDUSOSLNK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154597
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCCCC)sc2CCCc2c1C#N	MCULE-4135096401,EMOLS-id_331927569	496.665	JQUDAOGEROAGAZ-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-154598
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCCCC)sc2CCCc2c1C#N	MCULE-6179618973,EMOLS-id_331930896	496.665	TWQVGRCMUUHNGU-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154599
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCC(C)C)sc2CCCc2c1C#N	MCULE-7219231387,EMOLS-id_331935251	496.665	VIUSTAUNVQGLBS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154600
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCC(C)C)sc2CCCc2c1C#N	MCULE-9179419563,EMOLS-id_331931924	496.665	KDLOHTDPRVLWQG-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-154601
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331920661,MCULE-6084600782	496.665	AUHDYXUJUUGNGI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154602
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCCC)sc2CCCc2c1C#N	MCULE-6343687588,EMOLS-id_331920665	496.665	VUVOXJZHZNBUQI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154603
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CC=C)sc2CCCc2c1C#N	EMOLS-id_331926036,MCULE-5116691338	496.665	KZUFCPVIMPXSDL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154604
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C(CC)CC)nn1)C)C(=O)OCC	PC-id_23992427	496.666	OXPCERXVXPIQOW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-154605
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)c1c(sc(c1)C)C	PC-id_56137267	496.666	CGLOOZZDQNLBHJ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-154606
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@H]1C[C@H](c2cn(nc12)Cc1ccccc1)CO	PC-id_134969927	496.715	DXTDEVJUNTUFSY-IZZNHLLZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154607
CCCCOC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_140817034	496.717	BPLZWNYVKKOTKB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154608
CCCCO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)c1ccccc1	PC-id_141487848	496.717	BPLZWNYVKKOTKB-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154609
CCCCCCCCCCCCN1C2=C(S/C/1=C(C(=O)c1ccccc1)/N1CCOCC1)CCC2	PC-id_58793512,SCHEMBL14596663	496.748	IIYKWYUPLGFLSW-SJCQXOIGSA-N	00000011000010110001000010000000000000000000000000000000	25-01-154610
S1C2=C(N(CCCCCCCCCCCC)C1=C(N1CCOCC1)C(=O)c1ccccc1)CCC2	PC-id_72425470	496.748	IIYKWYUPLGFLSW-UHFFFAOYSA-N	00000011000010110001000010000000000000000000000000000000	25-01-154611
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)N)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	SCHEMBL19900913,BindingDB-id_799422,PC-id_134285202	496.867	ASFPLQAOHPBYBX-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154612
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)CCl	SCHEMBL18484169	496.943	OILYZOQKIRYLNF-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154613
c1(NC(=O)COc2cccnc2NC(=O)Oc2cc(c(Cl)c(C)c2)C)sc2c(CCC2)c1C#N	EMOLS-id_321772028,MCULE-3532587837	496.966	AUEBLLGJQAHTPN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154614
OC(=O)C1CCc2c1nc(s2)Nc1c(Br)cc(cc1Br)Br	PC-id_104287409	497	LXDQTLGAIQCGHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154615
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NC	MCULE-3014375878	497.006	SITMXRHUSULUFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154616
CNC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2CCCc12	EMOLS-id_334329557	497.006	SITMXRHUSULUFK-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154617
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CCC)sc2CCCc2c1C#N	MCULE-2811314627,EMOLS-id_332712518	497.009	JRECPOZMAFRLQV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154618
c1(NC(=O)COc2cn(c(cc2=O)CNc2c(C)ccc(Cl)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332716869,MCULE-2806855374	497.009	HFOASWWDVTWJRV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154619
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(Cl)c2)CC)sc2CCCc2c1C#N	MCULE-8244370568,EMOLS-id_332714563	497.009	HYEXHTSELSHRAZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154620
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CCC)sc2CCCc2c1C#N	EMOLS-id_332713031,MCULE-8812314409	497.009	IKTGSAOGORWOBJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154621
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2C)CC)sc2CCCc2c1C#N	EMOLS-id_332716357,MCULE-7097363367	497.009	CWCHPNZRXZNVNX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154622
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)cc2C)CC)sc2CCCc2c1C#N	EMOLS-id_332717381,MCULE-5490590627	497.009	KGKRIIWSQLMPCA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154623
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)c(C)c2)CC)sc2CCCc2c1C#N	MCULE-4772868754,EMOLS-id_332717636	497.009	ARKYRRHXVKBHPY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154624
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccccc2Cl)sc2CCCc2c1C#N	MCULE-2575543457,EMOLS-id_331919644	497.009	MTWJPOGBODQDHS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154625
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)Cc2ccc(cc2)Cl)sc2CCCc2c1C#N	MCULE-6741250538,EMOLS-id_331931164	497.009	GQLFZYVDUHPBQJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154626
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)c2ccc(OC)cc2)cc1	PC-id_16947353	497.009	IVFZYETZJRKPRH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154627
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)c2cc(OC)ccc2)cc1	PC-id_16947480	497.009	RJTQBSBJRORPQF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154628
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)c2c(OC)cccc2)cc1	PC-id_16947354	497.009	XTOTZWIWGDJBCW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154629
Clc1ccc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(OC)cc3)CC2)cc1	PC-id_16947951	497.009	OBSCHFFESBFNCV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154630
Clc1cc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(OC)cc3)CC2)ccc1	PC-id_16947826	497.009	XJWFOVJYNNEVGP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154631
Clc1c(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(OC)cc3)CC2)cccc1	PC-id_16947825	497.009	JLEIAPFQEVETAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154632
CC1(c2c(CN1C(=O)CC(CN(C)C#N)c1ccc(cc1)Cl)c(n[nH]2)NC(=O)c1cccs1)C	SCHEMBL15256600,PC-id_89804001	497.012	SBLIKXZDXIWICL-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-154633
CC(C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)OC(=O)c1sc2c(c1)CCC2	MCULE-3561681915,PC-id_16505622,EMOLS-id_43696746	497.027	FMHHBBPXARYIHW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154634
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	CoCoCo_2840857,ZINC22_9069882,PC-id_40925062	497.027	FMHHBBPXARYIHW-CQSZACIVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154635
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	PC-id_40925058,ZINC22_9069873,CoCoCo_2840858	497.027	FMHHBBPXARYIHW-AWEZNQCLSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154636
CCOC(=O)c1c2CCCc2sc1NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1	EMOLS-id_327948890,MCULE-3380309183	497.027	ISUPZIBVSQKPBK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154637
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_16861560	497.027	NHDSXOWZQQQSBU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154638
Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_41828616	497.027	RLCHYGGQQIXOKR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154639
Clc1c(NC(=O)COC(=O)c2sc3CCCc3c2)cc(S(=O)(=O)N2CCCCCC2)cc1	PC-id_4670098	497.027	WMJNOFGMOXYFTC-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-154640
Clc1ccc(S(=O)(=O)NC2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_56208425	497.031	RQMVROBPVCEYPC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154641
Clc1c(S(=O)(=O)N2CCN(CC2)C(C(=O)Nc2sc3c(CCC3)c2C(=O)N)C)cccc1	PC-id_24507063	497.031	YWZXYKAORXTRJC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154642
COCCCc1cn(Cc2nn3c(c2C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)CCC3)nn1	ZINC22_1875346560	497.032	HKLHZQBNFHTHDC-HSZRJFAPSA-N	00000010100000110101100010000000000000000000000000000000	25-01-154643
COCCCc1cn(Cc2nn3c(c2C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)CCC3)nn1	ZINC22_1875346561	497.032	HKLHZQBNFHTHDC-QHCPKHFHSA-N	00000010100000110101100010000000000000000000000000000000	25-01-154644
CC1(CCC(CC1)CCC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)Cl)Cl	PC-id_165020645	497.174	LWQZZJOUZMBBFO-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-154645
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(c(Cl)c(Cl)c(Cl)c1C(=O)O)Cl	MCULE-1425846022,EMOLS-id_327802040	497.177	CTMLMIYOAKEWAD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154646
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(Br)cc3)/c(=O)n2n1	EMOLS-id_324913161	497.192	ZMAHCHLFXMSYJS-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154647
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccccc3Br)/c(=O)n2n1	EMOLS-id_324911116	497.192	YJVGJHPPZWUSQE-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154648
n12c(=O)c(=Cc3ccc(Br)cc3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-8975309866	497.192	ZMAHCHLFXMSYJS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154649
n12c(=O)c(=Cc3ccccc3Br)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-3455264395	497.192	YJVGJHPPZWUSQE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154650
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOCC3)C(=NN2)NC4=NC=C(C=N4)NC(=O)C=C)C	PC-id_154963622	497.286	OWIAHZQKKDKSPW-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-154651
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2)NC4=NC=C(C=N4)NC(=O)C=C)C	PC-id_153631908	497.286	OWIAHZQKKDKSPW-GOSISDBHSA-N	00000010100010100001000010000000000000000000000000000000	25-01-154652
CCOc1nc(ncc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@H](N(C[C@@H]1C#N)CCCOC)C	PC-id_163673442	497.286	JEOJFQGNRGLEKO-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-154653
Brc1c([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_45658253	497.316	YVSZZUAOYKWKAK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154654
BrC1=C/C(=C/NNC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)/C(=O)C(=C1)[N+](=O)[O-]	PC-id_5348485	497.32	DSDVCVMPOFYZJN-HJWRWDBZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-154655
BrC1=CC(=CNNC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C(=O)C(=C1)[N+](=O)[O-]	PC-id_5875066	497.32	DSDVCVMPOFYZJN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-154656
c1(NC(=O)NN=Cc2cc(Br)cc(N(=O)=O)c2O)sc2c(CCC2)c1C(=O)OCC	MCULE-7566301093	497.32	CIKOSFZNLMWLJE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154657
CCOC(=O)c1c(NC(=O)N/N=Cc2cc(Br)cc(c2O)[N+](=O)[O-])sc2c1CCC2	PC-id_136050136,CoCoCo_745308	497.32	CIKOSFZNLMWLJE-ZBKNUEDVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154658
CCOC(=O)c1c(NC(=O)N/N=C/c2cc(Br)cc(c2O)[N+](=O)[O-])sc2CCCc12	EMOLS-id_1862339,TIMTEC99353,CoCoCo_745307,PC-id_135412260	497.32	CIKOSFZNLMWLJE-DNTJNYDQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154659
Brc1c(OCC)c(OC)cc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_35792777	497.36	VPYVMCTWCYUJBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154660
COc1cc(Br)c(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1OC	ZINC22_17894058,MCULE-6624688894,EMOLS-id_43946055,PC-id_27766597	497.36	AEYNFENEEZZFBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154661
Brc1ccccc1C(=O)Nc1ncccc1OCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_321803387,MCULE-3977148820	497.364	YNIZDGUBDPUMPD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154662
Brc1ccc(cc1)C(=O)Nc1ncccc1OCC(=O)Nc1sc2CCCc2c1C#N	EMOLS-id_321803899,MCULE-3754925738	497.364	RANWCBKHEFGMEY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154663
Brc1cccc(c1)C(=O)Nc1ncccc1OCC(=O)Nc1sc2CCCc2c1C#N	MCULE-1799633425,EMOLS-id_321803643	497.364	MYNNYAJHRRTQEG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154664
Brc1cncc(c1)C(=O)Nc1cccc(OCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-2835542524,EMOLS-id_323176850	497.364	ZRXSQHCNYKFSNN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154665
Brc1cccc(c1)N1CC(CC1=O)C(=O)N(Cc1nn(c2c1CCC2)C)Cc1ccco1	PC-id_92109301	497.384	SNYMPNUZZDVWBL-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154666
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19724569	497.386	KVOPGHGYJPKEBF-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-154667
CC1CC(=N)c2c(c(=O)n(n12)C)NCC(=O)Nc1nc(cs1)C1CC(=C(C(=C1)Cl)OC)Cl	PC-id_136629013,SCHEMBL15580557	497.398	LJCLUDCHVLKBTL-UHFFFAOYSA-N	00000010100011000001100010000000000000000000000000000000	25-01-154668
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_19728827	497.418	JINMXHVLOLQQGL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154669
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc1Cl	PC-id_19729095	497.418	NPQRUWFRNFUHJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154670
Brc1cc(c(OC(C)C)cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_17051945	497.426	WUMMHEQPIYYUSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154671
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OCC	PC-id_17073985	497.426	LPBWOPFYOAFNMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154672
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCC)cc1	PC-id_17353179	497.426	SYKXGMKIWJVRPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154673
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCC)cc1	PC-id_17351998	497.426	WCJQXPUWJHFQQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154674
Brc1c(OCCC)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_17342991	497.426	XJEGDMFROWGBLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154675
Brc1c(OC(C)C)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_17355716	497.426	PBMNQTCPJUWOHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154676
Cc1cc(SCC(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c(C)cc1Br	PC-id_4221884,ZINC22_25387544,MCULE-6375272826,EMOLS-id_43761646,CoCoCo_3032693	497.426	UZGRTQMMKSWJPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154677
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)sc2c1CCC2	ZINC22_8833054,PC-id_17113850	497.426	XSIYZXWBIBIUIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154678
c1(NC(=O)c2c(Br)cnc(SC)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16445431,EMOLS-id_9857342,MCULE-2510612018,TIMTEC109927	497.429	CUIDVEVUNARPKS-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-154679
CSc1ncc(Br)c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)n1	PC-id_40870871,CoCoCo_6233600,ZINC22_8915217	497.429	CUIDVEVUNARPKS-JTQLQIEISA-N	00000010100000100001000010000000000000000000000000000000	25-01-154680
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1ccc(cc1)C(=O)N(C)C	PC-id_41733160	497.606	YWZJCBPMMCKNPM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154752
CSc1ncc(Br)c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)n1	PC-id_40870872,CoCoCo_6233601,ZINC22_8915218	497.429	CUIDVEVUNARPKS-SNVBAGLBSA-N	00000010100000100001000010000000000000000000000000000000	25-01-154681
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)O	PC-id_57791694,SCHEMBL8037112	497.431	ISLWLJVVCYYEPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154682
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_18848684,MCULE-1952429678	497.435	XOCWUIMBVPEMPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154683
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7475278507,EMOLS-id_334334895	497.435	RTJPNJKHEURKMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154684
c1(NC(=O)COc2c(F)c(F)c(c(F)c2F)F)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-9122307714,PC-id_18884033	497.438	ZNOBDBQIXZKRER-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154685
c1(NC(=O)COc2cccnc2NC(=O)Oc2ccc(cc2F)N(=O)=O)sc2c(CCC2)c1C#N	MCULE-8045727095,EMOLS-id_321772029	497.456	LTBMCOMQCQKNFA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154686
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)N2CCCC2)c(c1F)C(F)(F)F	SCHEMBL17223018,BindingDB-id_435304,PC-id_118483496,BindingDB_PC-id_118483496	497.461	BUTDCAJURAHJIA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154687
CN(C1CCN(CC1)C(=O)OCc1ccc(cc1)C(F)(F)F)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5537825,PC-id_69479933	497.468	NZWLTKGIINPVBP-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154688
CNC([C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)C(=O)OCc1ccc(cc1)C(F)(F)F	PC-id_69479932,SCHEMBL5537822	497.468	ZZILIMKGPVROPG-ZYZRXSCRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154689
CNC(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)C(=O)OCc1ccc(cc1)C(F)(F)F	PC-id_69482391,SCHEMBL5546318	497.468	ZZILIMKGPVROPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154690
FC(F)(F)c1ccc(CCN(C2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)O)cc1	PC-id_69482917,SCHEMBL5547597	497.468	WHRSEJQCSZHXHU-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154691
FC(F)(F)c1ccc(CCN(C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)O)cc1	PC-id_69482921,SCHEMBL5547608	497.468	WHRSEJQCSZHXHU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154692
FC(F)(F)c1ccc(CCNC(=O)OC2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77659894	497.468	JPGGSYDVGSXRAV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154693
FC(F)(F)c1ccc(CCNC(=O)OC2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5547600,PC-id_69482918	497.468	JPGGSYDVGSXRAV-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154694
FC(F)(F)c1ccc(COC(=O)N2CCC(N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	PC-id_77659558	497.468	NZWLTKGIINPVBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154695
FC(F)(F)c1ccc(COC(=O)N2CCN(CCCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69482517,SCHEMBL5546636	497.468	NGDINTLIKKWHLV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154696
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)c1cc(ccc1)C(F)(F)F	SCHEMBL14058035,PC-id_89239081	497.487	ODCMCCLRJCOMGV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154697
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)c1c([N+](=O)[O-])cc(cc1)C(F)(F)F)C(=O)N	PC-id_31479678	497.491	RTMGCPABJJOGKJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154698
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C)C#N	SCHEMBL20252893,PC-id_134598993	497.494	QNABESAIGMFKIT-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154699
CS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1cnc(nc1)C(F)(F)F	SCHEMBL19772096,PC-id_134170923	497.514	LCUNYWRXZACOGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154700
CS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1nnc(cc1)C(F)(F)F	SCHEMBL19771939,PC-id_134170771	497.514	AIZCASFZFKMPOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154701
c1(NC(=O)COc2nonc2CC(=O)NCCOc2ccc(OC)cc2)sc2CCCc2c1C#N	MCULE-5462744123,EMOLS-id_333686610	497.524	FELZDGWMKFZQMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154702
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(OCC)c(OCC)c2)sc2CCCc2c1C#N	MCULE-7530437664,EMOLS-id_333677814	497.524	HSQGWAJNPSBBQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154703
c1(NC(=O)COc2nonc2C(=O)NCCc2ccc(OC)c(OC)c2)sc2CCCc2c1C#N	MCULE-5696560705,EMOLS-id_333714235	497.524	SGNKNVWEJOZMRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154704
s1c2c(CCC2)c(c1NC(=O)CN(CC(=O)Nc1c(cccc1)C(F)(F)F)CC)C(=O)OCC	PC-id_24428136	497.53	SNFLJNSRORZJCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154705
CN(CC(C1=C(F)CC=CC=C1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)C	PC-id_143492441	497.537	ZODYJENQEHQCDE-UHFFFAOYSA-N	00000010100000110111000010000000000000000000000000000000	25-01-154706
s1c2CCCc2c(c1NC(=O)CSc1sc(Nc2ccc(OC(F)(F)F)cc2)nn1)C#N	PC-id_24521670	497.537	UFXJJHDUBRRZEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154707
CCOC(=O)c1c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)C)sc2c1CCC2	ZINC22_408618614	497.542	KKKGBLRIHRHWSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154708
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2sccc2)cccc1)C(=O)OC	PC-id_4522718	497.543	XQJLJSJIQZWXAT-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-154709
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2sccc2)cccc1)C(=O)OC	PC-id_9675427	497.543	XQJLJSJIQZWXAT-WYMPLXKRSA-N	00000010100100110000000010000000000000000000000000000000	25-01-154710
O(C1CCN(CC1)Cc1ccc(OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)Cc1c(onc1C)C	PC-id_53466738	497.544	GYQJPLACHKSDIL-RUZDIDTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-154711
O(C1CCN(CC1)Cc1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)Cc1c(onc1C)C	PC-id_76035865	497.544	GYQJPLACHKSDIL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154712
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1F)C(=O)N	PC-id_42980867	497.56	OXJRLZSAHVOQKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154713
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1)C(C)C)C(=O)N	PC-id_55927529	497.56	VAFUJZKPXLELLR-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154714
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NS(=O)(=O)c1c(F)cccc1)C(C)C)C(=O)N	PC-id_76269887	497.56	VAFUJZKPXLELLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154715
c1(NC(=O)c2cc(on2)c2ccc(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	TIMTEC139358,MCULE-9047474235,EMOLS-id_31498898,PC-id_52988655	497.563	FBDLERZPOISFCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154716
CCOC(=O)c1c(NC(=O)COC(=O)CCC(=O)N2CCC(=N2)c2ccccc2)sc2c1CCC2	CoCoCo_2892680,PC-id_24343513,MCULE-8488975409,ZINC22_10015897,EMOLS-id_19315382	497.563	JTABPSWMEIZYIJ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-154717
COc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)no2)cc1OC	PC-id_52232345,ZINC22_46086085	497.563	FBDLERZPOISFCQ-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154718
COc1ccc(c2cc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)no2)cc1OC	ZINC22_46086087,PC-id_52232346	497.563	FBDLERZPOISFCQ-OAHLLOKOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154719
COc1ccc(/C=C/c2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1OC	EMOLS-id_45965719,ZINC22_16742152	497.565	VHBLZXLMRRKBIC-NBYKJDAVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154720
COc1ccc(/C=C/c2nc3s/c(=Cc4ccc(OCc5ccccc5)cc4)/c(=O)n3n2)cc1OC	ZINC22_27022559,EMOLS-id_46370276	497.565	FYEUWJCQSAHGNR-RXTDZXRGSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154721
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-6007423129	497.565	BQMQURHHEVVSJI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154722
n12nc(nc1sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6128487351	497.565	FYEUWJCQSAHGNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154723
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8371626439	497.565	VHBLZXLMRRKBIC-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154724
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)OC	MCULE-3895616587	497.565	JCLNAOGGZQLEFQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154725
c1(NC(=O)COc2cccnc2NC(=O)N2CCC(CC2)C(=O)OCC)sc2c(CCC2)c1C#N	MCULE-1211310416,EMOLS-id_321857464	497.567	KBAZOGRVOLWWOK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154726
c1(NC(=O)COc2cccnc2NC(=O)N2CCCC(C(=O)OCC)C2)sc2c(CCC2)c1C#N	EMOLS-id_321856440,MCULE-3555819567	497.567	IFLPTQLNBCTWFG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154727
s1c2c(CCC2)c(c1NC(=O)CN(c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N)CC)C(=O)OC	PC-id_16597018	497.567	UVRRJZZBDYKKOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154728
s1c2c(CCC2)c(c1NC(=O)CN(c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N)C)C(=O)OCC	PC-id_55474372	497.567	BGKLZUKQXOCPCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154729
CC1(c2c(CN1C(=O)Nc1ccccc1C(F)(F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195449,SCHEMBL20348581	497.577	ZNCOPOOQKPZPKG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154730
FC(Oc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C([Si](C)(C)C)(C)C)F)F	PC-id_140882931	497.586	ZXRJTQFHULPVAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154731
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(Cc1ccccc1)NC(=O)O	SCHEMBL14057882,PC-id_89238992	497.587	GYOFMSVEAHKHGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154732
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)CN(Cc1ccccc1)C(=O)O	PC-id_89238993,SCHEMBL14057883	497.587	DIPJSGAGBSAPJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154733
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)CNC(=O)OCc1ccccc1	PC-id_140601026	497.587	IHOQLIREZYRQJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154734
O=C([C@@H]1CCCN(C1)C(=O)OCc1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_140963677	497.587	QWGGKNRGSOKRFS-GOSISDBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154735
s1c2CCCc2cc1C(=O)NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(=O)C)cc1	PC-id_24445107	497.587	DELLKWKYSWAFAI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154736
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331790262,MCULE-8068791806	497.59	XUUCFUFVVUWXEU-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154737
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331791032,MCULE-9625748424	497.59	WFESXLHBKTWABH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154738
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCOC)sc2CCCc2c1C#N	MCULE-7473761968,EMOLS-id_331786174	497.59	JZZGZYLIZDTLBS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154739
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccc(c(OCC)c2)OC)sc2c(CCC2)c1C#N	MCULE-3898772132,EMOLS-id_322523761	497.59	COLWIMSIHMNMQR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154740
CC1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)CC1(O)CCOCC1	PC-id_145493438	497.59	MXSWKLUQYBQCRY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154741
Cc1nn2c(nc(n2)C(C)CNC(CC(C)C)O)c1=CC=C(C)C=Cc1c(n(c(=O)n(c1=O)C)C)O	SCHEMBL13908642,PC-id_136096506	497.59	REMXZLITVOMCEO-UHFFFAOYSA-N	00000000100000100001000010000000000000000000000000000000	25-01-154742
C[C@H]1CN(CC2(O)CCOCC2)C(CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_122626063,SCHEMBL18155601	497.59	QGHRDLUTEDUYTG-ADKAHSJRSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154743
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)CC1(O)CCOCC1	SCHEMBL6378536,PC-id_59508222	497.59	MXSWKLUQYBQCRY-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154744
O=C(/N=C/1N=Nc2c1cn(C(=O)Nc1c(CC)cccc1CC)c2)c1ccc(N2CCN(CC2)C)cc1	PC-id_5288842	497.591	WUWKQGPEIAHGLN-BXVZCJGGSA-N	00000011100010110001100010000000000000000000000000000000	25-01-154745
O=C(Cc1ccc(cc1F)S(=O)(=O)C)Nc1nc2c(s1)CN([C@H]2C(C)C)C(=O)OC(C)(C)C	PC-id_117688905,SCHEMBL16224729	497.603	ZLNNXIGJGHEHBX-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-154746
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccccc2F)sc2CCCc2c1C#N	MCULE-3852189824,EMOLS-id_331789245	497.605	KDZGIAWUEBHHHG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154747
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-8120741759,EMOLS-id_331791794	497.605	MVSMHDISDDEPPU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154748
O=C(c1ccccn1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1(F)CCCC(CC1)CC1CCOCC1	PC-id_145493507	497.605	GDVKMLKMWHUGEB-UHFFFAOYSA-N	00000010100010101101000010000000000000000000000000000000	25-01-154749
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)N1CCOCC1)C(=O)O	PC-id_135200357,SCHEMBL20353939	497.606	VDCZDAZTZXEISI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154750
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)c1cc([nH]c1)C(=O)N1CCCC1	PC-id_34781218	497.606	XRQAOMCKLSMNFW-UHFFFAOYSA-N	00000010110010000000000010000000000000000000000000000000	25-01-154751
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)N(CCC(=O)N)c1ccccc1	PC-id_27204508	497.606	CHCZTYICRHFOOT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154753
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_45608385	497.606	CJOAMHIFPTWKOB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154754
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_51448659	497.606	CJOAMHIFPTWKOB-AREMUKBSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154755
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_51448660	497.606	CJOAMHIFPTWKOB-SANMLTNESA-N	00000010100000110001100010000000000000000000000000000000	25-01-154756
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1c(n(CC(C)C)c(c1)C)C)C#N)C(=O)OCC	PC-id_4330059	497.606	ZISKICAMMWWDNF-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-154757
CCCOc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1OC	EMOLS-id_324829943	497.608	NNKNDDNXWXZUNF-ITYLOYPMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154758
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(c2ccccc2)c2ccccc2)cc1OCC	EMOLS-id_324823548	497.608	AUDGYRCLHKYNJB-PLRJNAJWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154759
CCOc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324833014	497.608	JPDMYPIXKGKPKI-ITYLOYPMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154760
n12c(=O)c(=Cc3ccc(c(OCC)c3)OCCC)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-8029544432	497.608	AUDGYRCLHKYNJB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154761
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-1910365955	497.608	NNKNDDNXWXZUNF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154762
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3786452530	497.608	JPDMYPIXKGKPKI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154763
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OCC)c1sccc1	PC-id_44004975	497.608	BFERQXLBTYWQAC-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-154764
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OC)c1sccc1	PC-id_41100042	497.608	VRKLEQDAZRECST-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-154765
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OC)c1sccc1	PC-id_44027437	497.608	BPTDXDZDYWGNMO-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-154766
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OC)c1sccc1	PC-id_44028712	497.608	MLNTXXILRVECEU-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-154767
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331930140,MCULE-1463971234	497.61	BCFXOXMUHUXJSO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154768
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CCC)sc2CCCc2c1C#N	MCULE-2886159739,EMOLS-id_331920148	497.61	BNRYTXKAATWRBS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154769
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CC=C)sc2CCCc2c1C#N	MCULE-5737909951,EMOLS-id_331925524	497.61	SBLLESUZVXFQBA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154770
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CCC)sc2CCCc2c1C#N	MCULE-4603622298,EMOLS-id_331920658	497.61	ZPEJRACIHUSFFR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154771
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCN2CCCC2=O)sc2CCCc2c1C#N	MCULE-2249386779,EMOLS-id_331919634	497.61	DEMXKPOIVLGOCF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154772
CCOC(=O)c1c(NC(=O)C(C)n2c(nc(C)c(CC)c2=O)n2nc(C)cc2C)sc2CCCc12	EMOLS-id_30614330,MCULE-8689306565,PC-id_43996990	497.61	ONWDXQKKEKCLIS-UHFFFAOYSA-N	00000010100000100001100010000000000000000000000000000000	25-01-154773
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(c(cc3)C)C)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053200	497.61	SJMSIBOOEQBAQY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154774
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)Cc2ccccc2)sc2c(CCC2)c1C(=O)NC	PC-id_29717872,CoCoCo_5058657,ZINC22_21715940,EMOLS-id_28208552,MCULE-3594289949	497.63	DHHRICHLVKOLEP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154775
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331789239,MCULE-6976208197	497.63	BLCKPRABRKHLEE-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-154776
Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)cs1	MCULE-4126011621,ZINC22_13134578,PC-id_4963937,EMOLS-id_3426487,CoCoCo_2879751	497.63	XXCWGNAKJCMNRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154777
s1c2c(CCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC(=O)Nc1c(SCC#N)cccc1	PC-id_31199060	497.63	SZFZKZHLWSTKOS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154778
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)Cc2ccccc2)cc1)C(=O)N	PC-id_43947079	497.63	JJUYJKRNDFCIMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154779
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCCC)sc2CCCc2c1C#N	EMOLS-id_331785407,MCULE-2051946323	497.633	NEZFVMOAAIDHNM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154780
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331787965,MCULE-5652083434	497.633	XFZDRERXWHBRBB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154781
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331791541,MCULE-4228064341	497.633	TWLMQFYAINOWCJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154782
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_331789502,MCULE-5584406551	497.633	JROUSMOBTXQJGO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-154783
n1(CC2CCCO2)c(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)nnc1Cc1ccccc1	MCULE-3408159132,ASN-03940048,PC-id_3181034,EMOLS-id_6512471	497.633	LXVMBBCHSDHSJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154784
NC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)n2C[C@@H]2CCCO2)sc2c1CCC2	PC-id_25450580,ZINC22_12706508	497.633	LXVMBBCHSDHSJO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154785
NC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)n2C[C@H]2CCCO2)sc2c1CCC2	ZINC22_12706516,PC-id_25450587	497.633	LXVMBBCHSDHSJO-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154786
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccccc1)CC=C)C(=O)OC	PC-id_17047686	497.633	PRWWFBHORHRMNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154787
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC=C)C(=O)OC	PC-id_20127912	497.633	UQTBVZBPPJSRPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154788
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC=C)C(=O)OC	PC-id_20128244	497.633	QUALTUWZRPCQJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154789
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CN1CCCC1)c1ccccc1)C(=O)OC	PC-id_45661331	497.633	UKKJKDDGWFMTAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154790
CN1CCN(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1C(C)C)N1CCOCC1	SCHEMBL14104238,PC-id_71070386	497.636	FYASEHSCJNFYLS-QGZVFWFLSA-N	00000010100010100001100010000000000000000000000000000000	25-01-154791
c1(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7142366629,EMOLS-id_334331819	497.649	YWNDKXMZAAVQNT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154792
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)CCCC)C2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1231366539,EMOLS-id_334388759	497.649	NYFYERHEFBMXHY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-154793
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1048936258,EMOLS-id_334386200	497.649	YFVIJJGOGISWGC-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-154794
s1c2c(CCC2)c(c1NC(=O)CN(C1CCN(CC1)C(=O)c1ccccc1)CCC)C(=O)OCC	PC-id_56380718	497.649	GUEFWYCLALGACC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-154795
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCN(CC)CC)sc2CCCc2c1C#N	MCULE-5579840907,EMOLS-id_331927570	497.653	RTDYFRSFYYQEBJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154796
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331931159,MCULE-2272858817	497.653	KIJUMFWAVIHLFD-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154797
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCN(C)C)sc2CCCc2c1C#N	MCULE-1278369845,EMOLS-id_331930389	497.653	DBAIPSOQBJIWNE-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154798
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CCC)sc2CCCc2c1C#N	MCULE-9579071598,EMOLS-id_331922707	497.653	BDDAIPKOQXHBGS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154799
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331929624,MCULE-7451897894	497.653	QQESYYGEVIFZDL-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-154800
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCN(C)C)sc2CCCc2c1C#N	MCULE-3955219250,EMOLS-id_331928856	497.653	BUMORCKILWIWFN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-154801
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331922965,MCULE-8788481285	497.653	GYCWZDWTKQFLCF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154802
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCCC)sc2CCCc2c1C#N	MCULE-9121561749,EMOLS-id_331922969	497.653	JRWIMNJEWJVRSH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154803
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331929872,MCULE-6673908558	497.653	JGAFSHVYRLWIGB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154804
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331934739,MCULE-7276890579	497.653	JRKBGXIVDNCSGQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154805
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCN2CCCC2)sc2CCCc2c1C#N	MCULE-8621707905,EMOLS-id_331930139	497.653	NJYDPQQEEMKRDO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154806
c1(NC(=S)NNC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCC2)c1C(=O)OC	MCULE-2111556121,PC-id_2956418,EMOLS-id_2471484,TIMTEC492661	497.653	UZGACXKNVWEDMY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154807
CC(C)CN1C(=S)S/C(=C/c2ccc(OCC(=O)Nc3sc4CCCc4c3C#N)cc2)/C1=O	EMOLS-id_332751924	497.653	FRYXSBMLPSDUOD-KEBDBYFISA-N	00000010100000110001000010000000000000000000000000000000	25-01-154808
COC(=O)c1c(NC(=S)NNC(=O)[C@H](c2ccccc2)Sc2ccccc2)sc2c1CCC2	CoCoCo_997114,PC-id_2209089	497.653	UZGACXKNVWEDMY-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154809
COC(=O)c1c(NC(=S)NNC(=O)[C@@H](c2ccccc2)Sc2ccccc2)sc2c1CCC2	PC-id_2209088,CoCoCo_997113	497.653	UZGACXKNVWEDMY-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154810
N1(CC(C)C)C(=O)C(=Cc2ccc(cc2)OCC(=O)Nc2sc3c(CCC3)c2C#N)SC1=S	MCULE-8387416329	497.653	FRYXSBMLPSDUOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154811
OCC#CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537121	497.653	UJDKGYBSGDBUSH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154812
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C[NH+]1CCCCC1)c1ccccc1)C(=O)N	PC-id_27425485	497.656	PGJVGNJBAMNRMH-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-154813
COC(=O)[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817129	497.662	SXTQWJQYCRZFMV-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154814
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-4837665966,EMOLS-id_331790013	497.673	SVLLTEYKGOXBSL-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-154815
CCc1ccc(cc1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772126,PC-id_134170953	497.673	ACWDEOSLVNDZCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154816
CCc1ccc(cc1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368079	497.673	ACWDEOSLVNDZCE-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-154817
CC[C@@H]1N(Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC)[C@H](Cc1ccccc1)C	SCHEMBL18368050	497.673	AHJYGSLCZRYQMD-AVRDEDQJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154818
CC[C@@H]([C@@H]1N(Cc2ccc(cc2)C)Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL18368058	497.673	HLIAAVRYRKNHJP-UUOWRZLLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154819
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CCc1ccccc1	PC-id_134170955,SCHEMBL19772128	497.673	PJXFCHVSPDTEDL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154820
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@@H](c1ccccc1)C	PC-id_134170815,SCHEMBL19771983	497.673	CZCJYEFMPSDYSZ-YDONVPIESA-N	00000010100000110001000010000000000000000000000000000000	25-01-154821
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@H](c1ccccc1)C	PC-id_134170945,SCHEMBL19772118	497.673	CZCJYEFMPSDYSZ-CPFIQGLUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154822
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cccc(c1)C	SCHEMBL18368108	497.673	DOLIVTVVSUXNIX-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-154823
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)CCc1ccccc1	SCHEMBL18368107	497.673	PJXFCHVSPDTEDL-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-154824
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)[C@@H](c1ccccc1)C	SCHEMBL18368090	497.673	CZCJYEFMPSDYSZ-IQGLISFBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154825
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)[C@H](c1ccccc1)C	SCHEMBL18368098	497.673	CZCJYEFMPSDYSZ-AVRWGWEMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154826
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(C)cc4)Cc3s2)cc1	SCHEMBL18367821,BindingDB_PC-id_124180193,BindingDB-id_722779	497.673	JKARMRQLDHLFLF-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154827
S(=O)(=O)(N(C1CCCCC1)C)N1CCN(CC1)C(C)C(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_55626000	497.674	DUYDVTKDIOQUCT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154828
CCOCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817063	497.705	HCBUGGZZSYKEKQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154829
CCOC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140301091	497.705	HCBUGGZZSYKEKQ-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154830
CN(CC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Oc1ccccc1)C	PC-id_140817149	497.705	BJHUVPSIUZBDMW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154831
COCCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817040	497.705	RVVJLRIFBXFRQQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154832
COCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140301090	497.705	RVVJLRIFBXFRQQ-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154833
OCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)(C)C	PC-id_140817165	497.705	LVMKTSZYXKXTLI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-154834
OCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si-](C)(C)C)(C)C	PC-id_145072791	497.705	FZONDAHWHDNHAA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-154835
OCCCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817023	497.705	CERMAGOOAWBNMD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154836
OCCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630855	497.705	CERMAGOOAWBNMD-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154837
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)NC(c1ccccc1)CC(O)(C)C	PC-id_140817060	497.705	CXNXCHPHAXIAQE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-154838
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)N[C@@H](c1ccccc1)CC(O)(C)C	PC-id_141630844	497.705	CXNXCHPHAXIAQE-LJQANCHMSA-N	00100010100000110001000010000000000000000000000000000000	25-01-154839
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si-](C)(C)C)N[C@@H](c1ccccc1)CC(O)(C)C	PC-id_145072783	497.705	QCLKFKWSYJNOSU-LJQANCHMSA-N	00100010100000110001000010000000000000000000000000000000	25-01-154840
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)NC(C(O)(C)C)c1ccccc1	PC-id_140817133	497.705	NLJQUFKMGALWPW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154841
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N[C@H](C(O)(C)C)c1ccccc1	PC-id_141630848	497.705	NLJQUFKMGALWPW-IBGZPJMESA-N	00001010100000110001000010000000000000000000000000000000	25-01-154842
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(Cl)c(c3)[N+](=O)[O-])/c(=O)n2n1	EMOLS-id_324914700	497.739	YALOGKWFAPOBRD-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154843
n12c(=O)c(=Cc3ccc(Cl)c(c3)N(=O)=O)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-8948639133	497.739	YALOGKWFAPOBRD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154844
Clc1cc(N(C(=O)COC(=O)c2c3CCCc3sc2NC(=O)c2occc2)CCC#N)ccc1	PC-id_42982391	497.951	XRVOUHRGZDVBMB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154845
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)c2CSCc2nn1CC(=O)NCc1ccco1	CoCoCo_5277703,ZINC22_23139328,MCULE-7803264162,EMOLS-id_24913433,PC-id_30862597	497.954	PKICNCNQEHOSLA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-154846
c1(NC(=O)COc2cccnc2NC(=O)Nc2ccc(c(Cl)c2)OC)sc2c(CCC2)c1C#N	MCULE-3051577221,EMOLS-id_321900796	497.954	OLJRDCWQELHNGB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154847
c1(NC(=O)COc2cccnc2NC(=O)Nc2c(OC)ccc(Cl)c2)sc2c(CCC2)c1C#N	EMOLS-id_321903869,MCULE-8451289548	497.954	ACIJHRGAJFZFJB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154848
Clc1ccc(cc1)N(C1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_66887366,SCHEMBL1045057	497.974	ZDVVXVUUPMEDAT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154849
Clc1ccc(cc1)N(C1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_66887367,SCHEMBL1045059	497.974	ZDVVXVUUPMEDAT-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154850
Clc1ccc(cc1)N(C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_67274245,SCHEMBL2088990	497.974	ZDVVXVUUPMEDAT-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-154851
Clc1cc(N(C2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)ccc1	PC-id_5278860	497.974	WLLXLUMLFRKTHF-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-154852
Clc1cc(N(C2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)ccc1	PC-id_78381708	497.974	WLLXLUMLFRKTHF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154853
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_5115364,MCULE-3175363812	497.99	XFTDWDOLLXWYIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154854
Clc1ccc(COc2c(OC)cc(/C=C/C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1	PC-id_1651561	497.99	XFTDWDOLLXWYIH-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154855
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)Nc2ccc(cc2)C(=O)OCCCC)cc1	PC-id_16947421	497.994	OYUKDPLJVZKAAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154856
Clc1ccc(cc1)CCCCS(=O)(=O)N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_69481249,SCHEMBL5541882	497.996	CDKUTOGSIRGEQO-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154857
Clc1ccc(cc1)CCCCS(=O)(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5541891,PC-id_69481251	497.996	CDKUTOGSIRGEQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154858
c1(C(=O)c2ccc(Cl)cc2)c2CCCc2sc1NC(=O)CN1CCN(CC1)c1ccc(cc1)F	PC-id_43814215,ZINC22_35288781,ASN-06262771,EMOLS-id_24665819,MCULE-8468642195	498.012	XKAAAKVSUCJEJW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154859
CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1cc2c(s1)CCC2	EMOLS-id_3402425,MCULE-6584554913,ZINC22_13129563,CoCoCo_3184973,PC-id_4844684	498.015	PYWZYLGXTINFQW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154860
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)sc2c1CCC2	CoCoCo_3374192,MCULE-9777170800,ZINC22_34872212,EMOLS-id_3270214,PC-id_2078534	498.015	QCCJGFZFCRKHKB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154861
COC(=O)c1c(NC(=O)CSc2nn(c3ccc(Cl)cc3)c(=S)s2)sc2c1CCC2	MCULE-1600699378,EMOLS-id_3216856,PC-id_2109664,ZINC22_2646614,CoCoCo_3088618	498.062	NELXCBSVYLHFKP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154862
C1C2=CN(N=C2CN1C(=O)C3(COC3)C4=C(C=CC=N4)Cl)S(=O)(=O)C5=CN(N=C5)CC(F)F	PC-id_164931890	498.069	ODDWEHKRVBGTDV-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-154863
C1C2=CN(N=C2CN1C(=O)C3(COC3)C4=C(C=CC=N4)Cl)S(=O)(=O)C5=NN(C=C5)CC(F)F	PC-id_164931902	498.069	NIYYIROREAEUJS-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-154864
CC1=C(SC(=N1)OCC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872259	498.084	OJLAGQAPQVWWAN-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154865
CC1=C(SC(=O)N1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164871965	498.084	BKOBYTHJKGVPSO-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154866
CN1C=C2C(CCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NC(=O)OCC4(CC(C4)(F)F)C(=O)N	PC-id_152662480	498.128	ZJVGESILTWMJHY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154867
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N)F)C(=O)Nc1cc(c(cc1)F)F	PC-id_163543602	498.133	FDDLMFDLEULJOH-SNVBAGLBSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154868
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])CN3CCC(CC3)N(CC4=CC=C(C=C4)OC(F)(F)F)C(=O)[O-]	PC-id_152781280	498.161	UORQGPSABMJEEB-FQEVSTJZSA-M	00000010100010110001000010000000000000000000000000000000	25-01-154869
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)OC(=O)C3=CC=CC=C3)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_146831835	498.23	SEIUWTGAVGBSMR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154870
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC(=C5)C)Cl	PC-id_149533947	498.24	ZNDTZHHBYFMFRF-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154871
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)C)Cl	PC-id_150921097	498.24	LEAVGACQOSAIKD-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154872
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)Cl)C	PC-id_147357978	498.24	DGRLVPHLJYKLHW-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154873
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)Cl)C	PC-id_151872273	498.24	SMYDTQJVBWUPBV-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154874
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)Cl)C	PC-id_151968603	498.24	UAENEAXSCCQCDN-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154875
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)F)OC	PC-id_151287522	498.264	NZSINHQENZIBIT-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154876
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)OC)F	PC-id_150809671	498.264	KHPWQBITVIHDRG-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154877
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=CC(=C5)OC)F	PC-id_152260882	498.264	WHHQDOQOOMDIOA-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154878
CC1(C2=C([C@@H](N1)C(COC(C)(C)OC)C3=CC=CC=C3)C(=NN2)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_151880498	498.303	SOPJMMGTPGISLZ-QWAKEFERSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154879
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2)NC4=NC=C(C=C4)NC(C=C)O)C	PC-id_154973862	498.307	YEPAOOQHCVOSMI-YMBRHYMPSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154880
C[C@H]1CN([C@@H](CN1C(=O)n1c2c(CNC2(C)C)c(n1)Nc1nccc(n1)OC)C)CC1CCOCC1	PC-id_163964298	498.307	SKHJLWPUAJKRMV-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-154881
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)OC(=O)C)c2=O)C=Cc1ccccc1	MCULE-3794143719	498.349	LXBIMNVYRFDENB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154882
Brc1cncc(c1)C(=O)Nc1ncccc1OCC(=O)Nc1sc2CCCc2c1C#N	MCULE-7231599339,EMOLS-id_321806704	498.352	DYCFVRLDKDCHDO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-154883
c1(N=Cc2cc(Br)ccc2OC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-3697878746,PC-id_1911075	498.389	WTPJOWQYVBLJCJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154884
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	EMOLS-id_26261039,STOCK1S-89602,ZINC22_2289226,PC-id_9660572	498.389	WTPJOWQYVBLJCJ-VULFUBBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-154885
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)N)c2CCCn2c1C(=O)Nc1cc(F)c(F)c(F)c1	SCHEMBL19900817,PC-id_134285119,BindingDB-id_799439	498.403	WRMTULCTQIDTJD-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154886
Clc1c(c2n(N)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc(Cl)c1	PC-id_45609957	498.406	GRIACKHVMNYGNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154887
Brc1c(cc(S(=O)(=O)N2CCCC2)cc1)C(=O)NNC(=O)c1sc2CCCc2c1	PC-id_26872600	498.414	AZXXUHWDYRQVBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154888
CCOc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CCC2	ZINC22_8781337,CoCoCo_6384536,PC-id_3466096,MCULE-1792352881	498.414	JFCDACJSFWLNJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154889
FC(F)(F)Oc1ccc(CN(C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)[O-])cc1	PC-id_69635540,SCHEMBL6010996	498.432	UORQGPSABMJEEB-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-154890
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F	PC-id_117999646,SCHEMBL16624967	498.432	SKKUPOJWAZJJNR-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154891
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F	SCHEMBL19704683	498.432	SKKUPOJWAZJJNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154892
Brc1ccc(NC(=O)c2c(NC(=O)CNCCc3ccccc3)sc3CCCc23)cc1	PC-id_2296448,ZINC22_3000319,CoCoCo_865093,EMOLS-id_2183978,MCULE-4746984747	498.435	USHBLGUFEOZEIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154893
NCC1(NC(=O)C(=O)c2n3CCCc3c(c2C)C(=O)Nc2ccc(c(c2)C(F)F)F)CC(C1)(F)F	PC-id_139525136,SCHEMBL21398424	498.446	CQHJHUHKCNAQEV-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-154894
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_18848994,MCULE-9287630752	498.462	VYJMMWSNVYLXSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154895
P(=O)(OCC(c1n2nc(c(=C)c2nn1)C)(C)C)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1	PC-id_60065239	498.468	WDISOFIBXNRQIJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-154896
CC1(c2c(CN1C(=O)Nc1c(ccc(c1)Cl)Cl)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195460,SCHEMBL20348592	498.469	ALHKIPRVQZPMKX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154897
CC1(c2c(CN1C(=O)Nc1c(cccc1Cl)Cl)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348558,PC-id_135195428	498.469	JFCXKBUULCVOOD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-154898
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)nn2c1N(CC2)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18758527	498.497	LJQZIIHNKABWRJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-154899
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(C=C)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758734	498.497	ROTARICFMHKQRN-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154900
COC(=O)c1ccc(cc1)C(NC(=O)c1c(C=C)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758615	498.497	ROTARICFMHKQRN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154901
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)nn2c1N(CC2)C(c1ccc(cc1)C(F)(F)F)C	SCHEMBL18740051	498.497	CPHGREFOWIUHRA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-154902
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)nn2c1N(CC2)[C@@H](c1ccc(cc1)C(F)(F)F)C	SCHEMBL18740049	498.497	CPHGREFOWIUHRA-MRXNPFEDSA-N	00100010100000110001100010000000000000000000000000000000	25-01-154903
Fc1c(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)cc(F)cc1F	PC-id_71654881	498.5	YQXYADWUGFYAGE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154904
Fc1c(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)c(F)ccc1F	PC-id_71654819	498.5	QTFQLUJPBHOGDW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154905
Fc1c(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)c(F)cc(F)c1	PC-id_71719557	498.5	JTGTUBQJUJBQOO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154906
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-1573782603	498.51	BBEPMJCKPUZMHU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154907
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-5363674761	498.51	RYIKEAGQJXUQOZ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-154908
s1c2c(CCC2)c(c1Nc1nc(N2CCN(CC2)C(=O)c2occc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127555	498.515	TWIPICPPAOPVPO-UHFFFAOYSA-N	00000010101010100001100010000000000000000000000000000000	25-01-154909
CCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CCC(F)(F)F)F	PC-id_71070376,SCHEMBL14104195	498.52	GMURNPAVERPWSN-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-154910
FC(F)(F)CCN1CC(N(C(=O)N2C(c3[nH]nc(Nc4nc(ncc4F)CC)c3C2)(C)C)CC1)C	PC-id_78001131	498.52	GMURNPAVERPWSN-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-154911
O=C(c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)NC1CCCC1	SCHEMBL2162476,PC-id_24772613	498.533	QCEIODCRTYEDAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154912
CCOC(=O)c1c(NC(=O)C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)CC)sc2c1CCC2	GD-id_ZINC16588656,PC-id_27220141	498.538	SNFLJNSRORZJCD-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-154913
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)sc2c1CCC2	ZINC22_13141141,PC-id_4313783,MCULE-9152005312,EMOLS-id_3450209,CoCoCo_3574851	498.542	HMDSUIQAMSWFAW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154914
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CCC)sc2CCCc2c1C#N	EMOLS-id_332710216,MCULE-1536383693	498.545	JOBZHPVKLHBBAZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154915
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)sc2c1CCC2	ZINC22_3412903,MCULE-9216195630,PC-id_2531883,CoCoCo_2845450,EMOLS-id_43698417	498.548	CKRVBNVVNHOMFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154916
s1c2c(CCC2)c(c1NC(=O)COC(=O)Cc1ccc(OCc2c(onc2C)C)cc1)C(=O)OC	PC-id_41237661	498.548	BSPNHZMISDZSEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154917
COCCN(C(=O)COC(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	CoCoCo_3642635,ZINC22_12999952,BindingDB-id_105352,BindingDB_PC-id_24979394,EMOLS-id_18914220,PC-id_24979394,MCULE-7628581189,ChEMBL-DNDi_CHEMBL1414432,CHEMBL1414432	498.551	JCUWPMXFNNXTOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154918
[O-][N+](=O)c1nc2n(c1)C[C@](O2)(C)COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1	SCHEMBL16624938,PC-id_117999618	498.551	BSCVCAXPGJMMDP-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-154919
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC(=O)NCc2occc2)C1	PC-id_44053223	498.551	HQZHWERUKAQLBB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-154920
c1(NC(=O)COc2cccnc2NC(=O)N2CCN(C(=O)OCC)CC2)sc2c(CCC2)c1C#N	EMOLS-id_321857977,MCULE-3871076563	498.555	RRJOTRABUHPOBQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154921
CCCCCCCC(C(C(CCCCC)C)CN1C(=O)c2c(C1=O)c(sc2Br)C)C	SCHEMBL18517124	498.56	BCBKLFMIPJWJCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-154922
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053684	498.57	BOMDSHOTSPZVCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154923
O=C(c1cccc(c1)C(=O)c1ccccc1)Nc1cc2c(s1)S(=O)(=O)N(C2)C(C(=O)O)C(C)C	SCHEMBL8030592,PC-id_57791638	498.571	SMCDEZIDPRSFSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154924
O=C(c1cccc(c1)C(=O)c1ccccc1)Nc1cc2c(s1)S(=O)(=O)N(C2)[C@@H](C(=O)O)C(C)C	SCHEMBL13786559,PC-id_57791629	498.571	SMCDEZIDPRSFSX-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154925
O=C(c1cccc(c1)C(=O)c1ccccc1)Nc1sc2c(c1)S(=O)(=O)N(C2)C(C(=O)O)C(C)C	PC-id_57791674,SCHEMBL13786534	498.571	HXHYXOBHQKEZAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154926
O=C(c1cccc(c1)C(=O)c1ccccc1)Nc1sc2c(c1)S(=O)(=O)N(C2)[C@@H](C(=O)O)C(C)C	SCHEMBL8028924,PC-id_57791732	498.571	HXHYXOBHQKEZAT-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154927
CN1CCN(CC1C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	SCHEMBL4283625,PC-id_24750901	498.573	GBWMAMGLGKOAFZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154928
c1(c2CCCc2sc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)C)C(=O)NC(=O)N	MCULE-7403422858,ZINC22_9489597,CoCoCo_5058664,PC-id_18561004,EMOLS-id_5523519,ChEMBL-DNDi_CHEMBLF1830-0238	498.575	NEPMVFDRTGLJQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154929
c1(NC(=O)COc2cn(c(cc2=O)C)Cc2ccc(cc2)S(=O)(=O)N)sc2CCCc2c1C#N	MCULE-4159914586,EMOLS-id_331632323	498.575	WGTWGIQOQXYVAE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-154930
CCOC(=O)n1nc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)c2CN(Cc12)C(=O)OC(C)(C)C	PC-id_11237328,MCULE-8992860453,EMOLS-id_28302541,ZINC22_38540493,SCHEMBL2921535	498.575	YLYRHIITRIEACU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154931
O=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2)NCc1ccccc1	PC-id_56609021,SCHEMBL11222907	498.575	SOQCPOGQPMSAOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154932
O=C(N1C(c2[nH]nc(NC(=O)c3ccc(N4CCN(CC4)C)cc3)c2C1)(C)C)Nc1c(cccc1)C#N	PC-id_24946083	498.579	DBCGKWYRTDQEJI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154933
N#C[C@@H]1CCCN1c1nc(nc(n1)C)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	PC-id_68317306,SCHEMBL12559961	498.583	NIBHXRTXNZBMAG-IVAAQHKWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-154934
c1(c2CCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1ccc(cc1OC)OC	PC-id_3544585,CoCoCo_2720358,EMOLS-id_16406084,CHEMBL1354506,MCULE-7335203862	498.591	YTIPMHWARSVXJN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154935
c1(c2CCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_2072949,BAS-03715649,EMOLS-id_1439539,MCULE-6541539680,CoCoCo_306029,SPECS-id_AE-848/42024832,PC-id_1734489	498.591	HACVEBRZEXUPTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154936
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334337189,MCULE-8078355441	498.591	LIZVIZMTISZWAL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154937
s1c2c(CCC2)c(c1NCc1c(OC)cc(OC)c(OC)c1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_4277629	498.591	WXXKXYZWENMWPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154938
c1(c2CCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)Oc1ccccc1	ZINC22_9434409,PC-id_3320648,CoCoCo_5973215,MCULE-9425096708,EMOLS-id_8604018	498.593	UHDMGCJFADHGEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154939
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-6439675791	498.593	MHPQSCWWAMJPBE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154940
c1(NC(=O)C(=Cc2ccc(cc2)OC)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-7562942613	498.593	BZAUNNPVHNNBGT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154941
COc1ccc(/C=C(C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)/c2ccccc2)cc1	EMOLS-id_334336169	498.593	BZAUNNPVHNNBGT-ULJHMMPZSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154942
COC(=O)c1c(NC(=O)COC(=O)c2sccc2S(=O)(=O)N2CCCC2)sc2c1CCC2	PC-id_33080592,GD-id_ZINC25806411,EMOLS-id_29660403,ZINC22_25806411,MCULE-2088885902,CoCoCo_4619708	498.593	IMHOEJCNNMXWHP-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-154943
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6377596,PC-id_59508315	498.593	BYMISAVNWFUWHI-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154944
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6378514,PC-id_59508346	498.593	PHMRZDOLFNCWNI-KRWDZBQOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154945
Fc1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(CC3CCOCC3)CC2)C)(C)C)cc1	PC-id_72310448	498.593	BYMISAVNWFUWHI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154946
Fc1cc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(CC3CCOCC3)CC2)C)(C)C)ccc1	PC-id_72310472	498.593	PHMRZDOLFNCWNI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154947
O=C(Nc1sc2CCCc2c1C(=O)NCc1ccco1)/C=C/c1ccc(OCc2ccccc2)cc1	EMOLS-id_334336943	498.593	MHPQSCWWAMJPBE-DTQAZKPQSA-N	00000010101000110000000010000000000000000000000000000000	25-01-154948
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CC2CCCO2)sc2CCCc2c1C#N	MCULE-5278613962,EMOLS-id_331920671	498.594	LVPKILISGUPXES-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-154949
CC(C)CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	CoCoCo_4268789,PC-id_40049114,ZINC22_32814461	498.594	FFVJYEGPZSCVKI-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-154950
CC(C)CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(=O)N)CCC4)C2=O)cc1	ZINC22_32814463,CoCoCo_4268788,PC-id_40049116	498.594	FFVJYEGPZSCVKI-VWLOTQADSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154951
CC(CCOc1ccc(cc1)C1(C)NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C	PC-id_42918903,MCULE-3237138167,EMOLS-id_24009679	498.594	FFVJYEGPZSCVKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154952
COc1ccc(cc1)C1(CN2C(=O)NC(CCC(=O)Nc3nc4CCCc4s3)C2=O)CCOCC1	EMOLS-id_323461774,MCULE-8985711639	498.594	GEOCITURKKCKND-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-154953
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CC(C)C	PC-id_74854104	498.594	MZTDDCPWPIBAKR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-154954
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)C)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_9879739,CoCoCo_2236143,MCULE-9013544765,TIMTEC395235,PC-id_16453069,ZINC22_9205903	498.596	QAPIQNNJIPKZRB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154955
c1(NC(=O)c2c(=O)ccn(c3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_16447266,CoCoCo_2236207,TIMTEC309358,EMOLS-id_9847566,MCULE-1118046262,ZINC22_9206065	498.596	MIVCWXVNUVOHFV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154956
S1Cc2c(nn(c2NC(=O)c2ccc(cc2)c2ccccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053566	498.596	PLQPFNNFMKMKFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154957
NC(=O)c1c(NC(=O)COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)sc2c1CCC2	MCULE-5507438814,PC-id_41625571,ZINC22_10712159,CoCoCo_4383183,EMOLS-id_18874836	498.598	JXRDYLBXDNMRES-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-154958
CCc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)c1ccccc1	ZINC22_408624607	498.614	SYDHQARDJXIGGE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154959
CCc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)c2ccccc2)cc1	ZINC22_408620138	498.614	NBPSQRZRDZWHER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154960
CCOC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408609511	498.614	OXCZYFIIOUCWJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154961
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)sc2c1CCC2	ZINC22_408626976	498.614	YROJMMFMZMCJSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154962
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)sc2c1CCC2	ZINC22_408622948	498.614	OFWHARMCGZWUDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154963
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)sc2c1CCC2	ZINC22_408630408	498.614	UCNISADDSWIFNY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154964
CCOC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408623674	498.614	SNOKTWLMNAVKLG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154965
CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	MCULE-3302358294,ZINC22_2624777,EMOLS-id_43794453,CoCoCo_3154829,PC-id_2086843	498.614	AXWFTXQZCDTFFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154966
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408615231	498.614	NRZMCHSAQJRMOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154967
CCOC(=O)c1c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408622037	498.614	AFISNIPHPAWOMV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154968
COC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)sc2c1CCC2	ZINC22_408617927	498.614	HWCWPAXUWZIPLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154969
COC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)sc2c1CCC2	ZINC22_408619268	498.614	LKXIZXCLGOWKJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154970
COC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)sc2c1CCC2	ZINC22_408619170	498.614	MTLQDPZTQAMEEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154971
COC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)sc2c1CCC2	ZINC22_408630257	498.614	QRUWGHCSIOWLFX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154972
COC(=O)c1c(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408630271	498.614	QVGPSYWHVUINTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154973
COC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408621554	498.614	SPBDSOOOOGRXGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154974
COC(=O)c1c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408601997	498.614	BJRJBOWJRMIYJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154975
COC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408615301	498.614	OOJFNMAUYCQOSI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154976
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408619927	498.614	OQDNENMBCPKWPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154977
COC(=O)c1c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408630035	498.614	MOIGLLBZHYDCIV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154978
COC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408620659	498.614	QCXMBVYCTMSCPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154979
COC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408621318	498.614	RHLZYOPTBZJDEY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154980
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C(=O)OCC	PC-id_23908158	498.614	ITAUCWQPOXPWAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-154981
CCOC(=O)c1c(NC(=O)CSc2nc(=O)cc(N)n2CCc2ccccc2)sc2c1CCC2	EMOLS-id_6793678,TIMTEC533391,PC-id_3993732,ZINC22_3625042,CoCoCo_1973985,MCULE-5736556199	498.618	WSUITSXFLJNEGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154982
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)COc1ccccc1)CC=C)C(=O)OC	PC-id_17047723	498.618	KOWXXTSGMLELOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154983
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC=C)C(=O)OCC	PC-id_19730839	498.618	FMPWYGZIKVHKGC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154984
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC=C)C(=O)OC	PC-id_19732381	498.618	RKPWWLOXWBKITC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154985
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC=C)C(=O)OCC	PC-id_19730665	498.618	PPJSKIMDIAWEES-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154986
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC=C)C(=O)OCC	PC-id_17301654	498.618	PHXNMYXYIPLMET-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154987
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC=C)C(=O)OC	PC-id_19732026	498.618	VZXXZVNWWATZQW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-154988
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_20123925	498.618	UCTZFNNANBMEJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154989
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC=C)C(=O)OC	PC-id_19634988	498.618	QDJKJIHQEZZBLV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154990
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC=C)C(=O)OC	PC-id_21165051	498.618	GPQGGPHHFVHFMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154991
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C(=O)OC	PC-id_21165266	498.618	CMRKAKGAIVIQTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154992
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)CC=C)C(=O)OC	PC-id_21165472	498.618	MPMGHYIBBHJXBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154993
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)CC=C)C(=O)OCC	PC-id_19733307	498.618	IKHRMZHHLXXTFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-154994
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccn(n1)C)C	BindingDB_PC-id_66739309,PC-id_66739309,SCHEMBL599026	498.621	LPPBURXFKAEPQJ-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-154995
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cncn1C)C	SCHEMBL597607,PC-id_66738963	498.621	LTOBYASNQPYDNL-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-154996
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1cc(nn1C)C)C	PC-id_59508197,SCHEMBL6377284	498.621	GEMLIJXYYSNXSA-DVKDBIPTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154997
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(nn1C)C)CC1CCOCC1	PC-id_59508281,SCHEMBL6378769	498.621	BVJMCSOTRQHTDV-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154998
CCn1ccc(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	PC-id_59508353,SCHEMBL6376773	498.621	FQCFVYHZVLXBNC-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-154999
CCn1cnc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6376572,PC-id_59508209	498.621	VGPFSSURZJROQU-KRWDZBQOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155000
CCOc1ccc(CCc2nnc(SCC(=O)Nc3sc4CCCc4c3C#N)n2N)cc1OC	EMOLS-id_335773648,MCULE-3449795214	498.621	OOLAMTANKYVNJP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155001
Cn1cnc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	BindingDB_PC-id_66738907,SCHEMBL597452,PC-id_66738907	498.621	WKJPWOQRQMNAJA-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-155002
COc1ccnc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1	SCHEMBL7015946,BindingDB_PC-id_59333999,BindingDB-id_546086,PC-id_59333999	498.621	DOXSQYHRFBWFHU-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-155003
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(C)nc(n1)C	SCHEMBL596223,PC-id_59508217	498.621	WSXPIGMNZGQUOA-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-155004
NC(=O)c1c(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)sc2c1CCC2	ZINC22_9513744,EMOLS-id_11858010,MCULE-1900677264,PC-id_16386773,CoCoCo_4183172	498.621	RVOBUJLQKSATRO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155005
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(Nc4nc(OC)ccn4)c3C2)(C)C)C)CC1	PC-id_72257761	498.621	DOXSQYHRFBWFHU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155006
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncn(c4)C)c3C2)(C)C)C)CC1	PC-id_77182952	498.621	WKJPWOQRQMNAJA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155007
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4n(cnc4)C)c3C2)(C)C)C)CC1	PC-id_77182975	498.621	LTOBYASNQPYDNL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155008
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4nn(cc4)C)c3C2)(C)C)C)CC1	PC-id_77183083	498.621	LPPBURXFKAEPQJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155009
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4n(nc(c4)C)C)c3C2)C)C)CC1	PC-id_72310336	498.621	GEMLIJXYYSNXSA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155010
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4ncn(c4)CC)c3C2)(C)C)C)CC1	PC-id_72310348	498.621	VGPFSSURZJROQU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155011
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4n(nc(c4)C)C)c3C2)(C)C)C)CC1	PC-id_72310415	498.621	BVJMCSOTRQHTDV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155012
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4nn(cc4)CC)c3C2)(C)C)C)CC1	PC-id_72310479	498.621	FQCFVYHZVLXBNC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155013
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(C)cc1C	MCULE-3616546869,EMOLS-id_328224375	498.636	JDGORDQSKQZTKR-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-155014
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(C)c(C)c1	EMOLS-id_328223096,MCULE-6034821630	498.636	INRVCBSYQTWLKE-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-155015
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(CC)cc1	MCULE-2151280845,EMOLS-id_328220792	498.636	LRSXCSSNYKLNDI-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-155016
COC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc(C)c1c1ccc(C)c(C)c1	MCULE-3168688519,EMOLS-id_328223352	498.636	BQDLTMVDWPYFFR-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-155017
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCCCCO)sc2CCCc2c1C#N	EMOLS-id_331934740,MCULE-9540727579	498.638	ATXIMJIPPYHXHG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155018
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCOC(C)C)sc2CCCc2c1C#N	EMOLS-id_331927830,MCULE-4000781204	498.638	NFQCGMOKBVMFNG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155019
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331929367,MCULE-9548911097	498.638	XQDGRIZLYZRBRU-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155020
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCCOC)sc2CCCc2c1C#N	MCULE-6060478900,EMOLS-id_331920412	498.638	PDDSTQDKPMXLOF-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155021
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCOCC)sc2CCCc2c1C#N	MCULE-7699286584,EMOLS-id_331920411	498.638	PEUCLKSYHYUZSC-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155022
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCCC)sc2CCCc2c1C#N	MCULE-1186215073,EMOLS-id_331922968	498.638	NLMGNOPZXZYRDG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155023
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CC(C)C)sc2CCCc2c1C#N	MCULE-9486944698,EMOLS-id_331922964	498.638	WDXRBTVQMIYBJI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155024
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331930897,MCULE-5171620494	498.638	YGGMKNOJFCOYHM-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155025
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331933716,MCULE-8550457312	498.638	ROOPMQAWZASPDC-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155026
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331922204,MCULE-9043515800	498.638	ZHGCUSHQYZEGIV-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155027
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCCOC)sc2CCCc2c1C#N	MCULE-4932880983,EMOLS-id_331922972	498.638	PBZXCAXLZIRLDY-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-155028
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331929363,MCULE-3944912969	498.638	VDFYBYMXKPJDDD-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155029
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CC(C)O)sc2CCCc2c1C#N	MCULE-8009629750,EMOLS-id_331926557	498.638	JBKNWBZDHYMGIM-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155030
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCOC)sc2CCCc2c1C#N	MCULE-7807551371,EMOLS-id_331920663	498.638	HZOUNDDCDFIJDB-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155031
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331920916,MCULE-8946261803	498.638	FTFDEXWZBJLMTL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155032
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCCC)sc2CCCc2c1C#N	MCULE-7888775246,EMOLS-id_331920920	498.638	XFSNXRRERMCJEA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155033
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331934480,MCULE-3777093426	498.638	AEJIGGIQKINCNT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155034
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331923728,MCULE-2543081805	498.638	RWSLDTHPASATIQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155035
s1c2c(CCC2)c(c1NC(=O)C(N1CCCN(CC1)C(=O)CCc1ccc(OC)cc1)C)C(=O)N	PC-id_56360813	498.638	YOFUEABWOFGIGI-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-155036
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC(=O)Nc1c(c(ccc1)C)C)C(=O)OCC	PC-id_29164088	498.638	SYBFVMNDXSLUJU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155037
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)CC(=O)Nc1c(cccc1C)C)C(=O)OCC	PC-id_29165859	498.638	OVEHDOWYLGHVJY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155038
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331927832,MCULE-2477802535	498.641	IENSVMJIWRDXDX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155039
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C[NH+]1CCCC1)c1ccccc1)C(=O)OC	PC-id_51469459	498.641	UKKJKDDGWFMTAU-UHFFFAOYSA-O	00000010100000110001100010000000000000000000000000000000	25-01-155040
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(SCC(=O)N(CC)CC)nn1)C(=O)OC	PC-id_24377472	498.643	FHNSQHNFTLIFHO-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-155041
CCCCC(Oc1cc(C)c(c(c1)C)/C(=C/1C=c2c(=N1)cc(o2)C)/c1[nH]c2c(c1)oc(c2)C)CCCC	SCHEMBL9885757	498.656	GREBZJLBVXHGOR-VEWQFJOQSA-N	00000010100000110000000110000000000000000000000000000000	25-01-155042
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)N1CCCCCC1	PC-id_16599087	498.659	RAJYOUVJWPYFQZ-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-155043
CNS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C	SCHEMBL18367851	498.661	WQOWXUWHNYOIDM-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155044
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)[C@H](c1ccc(cn1)C)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368024	498.661	YGLWIARBTYCJKS-XDHUDOTRSA-N	00000010100000111001000010000000000000000000000000000000	25-01-155045
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC)C(=O)OCC	PC-id_17268824	498.661	HRBBSMWDDNFXJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155046
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C(=O)OC	PC-id_20124745	498.661	CDPBPRZLNLAEIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155047
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_20124681	498.661	LZNPUELNHYOEDU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155048
CCC(c1nnc(n1Cc1ccccc1)SCC(=O)Nc1sc2c(c1C(=O)N)CCC2)N(C)C	MCULE-6111421836,EMOLS-id_3236302,SCHEMBL21045567,PC-id_3888755	498.664	LPJYGZYIRLPAEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155049
CC[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1Cc1ccccc1)N(C)C	ZINC22_2725863,CoCoCo_3643533,PC-id_2161126	498.664	LPJYGZYIRLPAEQ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155050
CC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)N)CCC3)n1Cc1ccccc1)N(C)C	ZINC22_2725864,PC-id_2161128,CoCoCo_3643534	498.664	LPJYGZYIRLPAEQ-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155051
CCN(c1ccccc1)c1ccc(c(c1)N(C)C)/N=C
/C(=Nn2c1nnc2C(N1CCCCC1)C)CC	SCHEMBL14573667	498.666	XYDVBSFLMIHTPT-IKPAITLHSA-N	00000011100010110001000010000000000000000000000000000000	25-01-155052
N1(CCCCC1)C(c1n2N=C(C(=Nc3c(N(C)C)cc(N(CC)c4ccccc4)cc3)c2nn1)CC)C	PC-id_58839021	498.666	XYDVBSFLMIHTPT-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-155053
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331920917,MCULE-9475950077	498.681	VVYOZDZUTVIMRI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155054
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCCC)sc2CCCc2c1C#N	EMOLS-id_331920921,MCULE-7334081571	498.681	GFYCATVWCSAAFF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155055
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331933457,MCULE-3817063316	498.681	FYQAUVABFATHLP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155056
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331935507,MCULE-3971022572	498.681	SJTUTHLKZHUWEO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155057
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCCCC)sc2CCCc2c1C#N	MCULE-5724278756,EMOLS-id_331929617	498.681	JITLSJHILRHEIV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155058
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CCC)sc2CCCc2c1C#N	MCULE-5883130805,EMOLS-id_331921427	498.681	ZCZBXJXBLJFIGB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155059
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCCCC)sc2CCCc2c1C#N	MCULE-7465119278,EMOLS-id_331931152	498.681	QOPJIMLXGHGREO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155060
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCC(C)C)sc2CCCc2c1C#N	MCULE-9552171525,EMOLS-id_331933204	498.681	HXGNDQLDDYGLCU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155061
CN(CC1CCCCC1(O)C1CCCC(C1)OC(=O)C1CCn2c1ccc2C(=O)C1CCCCC1)C	PC-id_140441537	498.697	OYLXQKBVLGJXTQ-UHFFFAOYSA-N	00000010100010000000100010000000000000000000000000000000	25-01-155062
CC([Si](c1ccccc1)(c1ccccc1)OC[C@H]1C[C@H](c2c1n(C)nc2)COS(=O)(=O)C)(C)C	PC-id_101387633	498.71	VGERZEPTXCMSEO-LEWJYISDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155063
Cc1csc2nc(Cl)c(/C=c/3sc4nc(COc5ccc(Cl)cc5Cl)nn4c3=O)n12	EMOLS-id_324847348	498.793	YZQPVZVDQGVWSC-ACAGNQJTSA-N	00000000100000110001000110000000000000000000000000000000	25-01-155064
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)COc1ccc(cc1Cl)Cl	MCULE-1842461067	498.793	YZQPVZVDQGVWSC-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-155065
Clc1c(F)c(C(=O)Nc2sc3c(c2C(=O)N2CC(F)(F)C2)C(OC3)C)c(cc1)C(F)(F)F	PC-id_24772540,SCHEMBL2162083	498.827	FKWKXSAWZLHYEZ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-155066
Clc1ccc(cc1)OCC1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_11225769,SCHEMBL1079472	498.959	YXGNLFMLBKBEIS-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-155067
Clc1ccc(cc1)OCC1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_11375452,SCHEMBL1044736	498.959	YXGNLFMLBKBEIS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155068
Clc1ccc(cc1)OCC1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL1044734,PC-id_11409404	498.959	YXGNLFMLBKBEIS-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155069
c1(NC(=O)c2c(=O)ccn(c3ccc(cc3)Cl)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6979102110,TIMTEC291530,EMOLS-id_9880485,PC-id_16453889	498.982	LOVOHWZHBZJSHC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155070
c1(NC(=O)c2c(=O)ccn(c3cccc(Cl)c3)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16453081,MCULE-3740589387,TIMTEC116934,EMOLS-id_4732835,STOCK6S-05511	498.982	DCDKYOKEHCFUGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155071
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CCO)sc2CCCc2c1C#N	MCULE-9551081431,EMOLS-id_332715086	498.982	CZZWAAYJEUOLBB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155072
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CCO)sc2CCCc2c1C#N	MCULE-9448893951,EMOLS-id_332715343	498.982	KBVKHSCRHVCAQE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155073
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)cc1	EMOLS-id_324884486	498.982	HXXICWVVGKYFDP-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155074
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)cc1	EMOLS-id_324842747	498.982	VXCVHKWSRILXRB-MOSHPQCFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155075
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1ccccc1Cl	MCULE-3079799867	498.982	HXXICWVVGKYFDP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155076
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1ccc(Cl)cc1	MCULE-6041751928	498.982	VXCVHKWSRILXRB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155077
O=C(NC[C@@H]1CCCO1)c1c(NC(=O)c2nn(c3cccc(Cl)c3)ccc2=O)sc2c1CCC2	CoCoCo_6285815,PC-id_42414851,ZINC22_12111437	498.982	DCDKYOKEHCFUGT-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155078
O=C(NC[C@H]1CCCO1)c1c(NC(=O)c2nn(c3cccc(Cl)c3)ccc2=O)sc2c1CCC2	CoCoCo_6285816,ZINC22_9130468,PC-id_40944781	498.982	DCDKYOKEHCFUGT-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155079
O=C(NC[C@@H]1CCCO1)c1c(NC(=O)c2nn(c3ccc(Cl)cc3)ccc2=O)sc2c1CCC2	PC-id_42278590,CoCoCo_6286794,ZINC22_11914241	498.982	LOVOHWZHBZJSHC-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155080
O=C(NC[C@H]1CCCO1)c1c(NC(=O)c2nn(c3ccc(Cl)cc3)ccc2=O)sc2c1CCC2	PC-id_42278591,CoCoCo_6286795,ZINC22_11914242	498.982	LOVOHWZHBZJSHC-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155081
CCOC(=O)c1c2CCCc2sc1NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCOCC1	MCULE-7430175837,EMOLS-id_327999536	499	JLFCMAVLUNVVLC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155082
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_41320076	499	UEUZULPWDXSUKZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155083
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CC)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_16438075,MCULE-5633221622,TIMTEC81149,ChEMBL-DNDi_CHEMBLD053-0348,EMOLS-id_9391449	499.003	BOCKXWZCJHPADQ-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-155084
CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)n1	CoCoCo_6210376,ZINC22_8867352,PC-id_40849724	499.003	BOCKXWZCJHPADQ-LLVKDONJSA-N	00000010100000100001000010000000000000000000000000000000	25-01-155085
CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)n1	PC-id_40849723,ZINC22_8867349,CoCoCo_6210375	499.003	BOCKXWZCJHPADQ-NSHDSACASA-N	00000010100000100001000010000000000000000000000000000000	25-01-155086
Clc1ccc(S(=O)(=O)N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_2078533,GD-id_ZINC02616728	499.023	QCCJGFZFCRKHKB-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-155087
Clc1ccc(OC(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)(C)C)cc1	PC-id_44053770	499.025	NRTHATKATYDEKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155088
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)C1CCN(CC1)C(=O)OC(C)(C)C	SCHEMBL17397976,PC-id_118628251	499.046	ZPAYGCHGBGXCKB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155089
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)CCC(F)(F)F	PC-id_164872120	499.085	XXCQHKFZQRNPCD-QGZVFWFLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-155090
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4Cl	PC-id_164931898	499.089	YNKGAPUPISIDKJ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155091
CC1=C(C=NN1CC(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4Cl	PC-id_164931922	499.089	YNKGAPUPISIDKJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155092
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4Cl)CC(F)F	PC-id_164931943	499.089	YMUMUWXUGRSRPP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155093
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4Cl)CC(F)F	PC-id_164931965	499.089	YMUMUWXUGRSRPP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155094
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(C1CCN(CC1)C(=O)OC(C)(C)C)C	SCHEMBL17413485	499.09	HKUPCQPWPQVXJI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155095
CC1=C(N2CCCC2=C1C(=O)C(=O)NC(CCF)(CCF)CO)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_149366940	499.149	YJATXGNHWPTOEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155096
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1ccccc1Cl	MCULE-9019508768	499.165	ABGIRFFPTDRNLD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155097
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1ccc(Cl)cc1	MCULE-6372937142	499.165	UKJXFJPZCJSAIB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155098
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(COc3ccccc3Cl)nn2c1=O	EMOLS-id_324885003	499.165	ABGIRFFPTDRNLD-NSIKDUERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155099
Oc1c(Br)cc(Cl)cc1/C=c/1sc2nc(COc3ccc(Cl)cc3)nn2c1=O	EMOLS-id_324847344	499.165	UKJXFJPZCJSAIB-NSIKDUERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155100
CC1(CN2C=C(N=C2O1)[N+](=O)[O-])CN3CCC(C[C@@H]3CC4=CC=C(C=C4)OC(F)(F)F)OC(=O)N	PC-id_153874069	499.168	PFXCQPGEJXRKOD-GPWPYBQESA-N	00000010100010110001000010000000000000000000000000000000	25-01-155101
COc1ccc(cc1)C(=O)Nc1c2CC(Sc2n[nH]1)C(=O)NN(Cc1ccccc1)c1ccccc1	PC-id_164089001	499.168	XEKKAWRECNYYQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155102
Brc1cc(cc(Br)c1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C#N	EMOLS-id_328217466,MCULE-2306916383	499.198	BKOAYNFMPMFTNP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155103
C1Cc2c(C1)sc(c2C(=O)Nc1ccccc1OC(F)(F)F)NC(=O)C(F)(F)Br	PC-id_137655505	499.25	PHFGVFMIKPIXDX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155104
Brc1sc(Br)c2C(=O)CC(NC(=O)CCCCCCc3ccccc3)c12	BindingDB-id_198555,PC-id_57340821,BindingDB_PC-id_57340821	499.259	CUBRYBNHQVIIQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155105
Brc1sc(c2c1C(=O)N(C2=O)CCCCCCCCc1ccccc1)Br	PC-id_142735122	499.259	KLROACNSUUGKLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155106
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=CC=CC=C3F)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587072	499.259	OWBHEAWCARKANU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155107
Ic1ccc(C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_5198257	499.319	WCQDHPALTYZUGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155108
COC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NCc1c(Br)ccc(c1F)OC	SCHEMBL17253839,PC-id_118508840	499.331	UZGVHPJWUCODDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155109
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O)CC	MCULE-9496166740	499.38	XZLXOLCJGVAILA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155110
C1[C@H](n2c(c(c(n2)C(F)(F)F)C(=O)O)N1Cc1cc(ccc1)C(F)(F)F)COCc1ccccc1	PC-id_135361247,SCHEMBL20539717	499.406	VVYLHLCNOLLNAQ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155111
OC(=O)c1c2N(Cc3cccc(c3)C(F)(F)F)CC(n2nc1C(F)(F)F)COCc1ccccc1	SCHEMBL18739964	499.406	VVYLHLCNOLLNAQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155112
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20173889	499.409	COTURRRGYOGMAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155113
Brc1ccc(NC(=O)c2c(NC(=O)CCNCc3ccccn3)sc3CCCc23)cc1	PC-id_4352067,ZINC22_4121877,MCULE-3748510945,EMOLS-id_2785840,CoCoCo_6724267	499.423	HJTAMRODPYFHPV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155114
Clc1ccc(cc1Cl)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-5363102440,EMOLS-id_321761826	499.434	OUFKYJGMMZFGBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155115
Clc1c(S(=O)(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCC3)c2C#N)cc(Cl)cc1	PC-id_42996507	499.434	YVVBWOKOLSNBTL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155116
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)NC(=O)OCc1ccc(cc1)OC(F)(F)F	PC-id_91467903	499.44	OAQLQMZLKSRDEJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155117
FC(F)(F)Oc1ccc(CN(C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)O)cc1	PC-id_69635539,SCHEMBL6010995	499.44	UORQGPSABMJEEB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155118
FC(F)(F)Oc1ccc(CN(C2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)O)cc1	SCHEMBL6010998,PC-id_69635542	499.44	UORQGPSABMJEEB-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155119
FC(F)(F)OC1(N(Cc2ccccc2)C(=O)O)CCN(CC1)C[C@@]1(Oc2n(C1)cc(n2)[N+](=O)[O-])C	PC-id_69635538,SCHEMBL6010994	499.44	JETWPOOOOPIFFD-IBGZPJMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-155120
FC(F)(F)OC1(N(Cc2ccccc2)C(=O)O)CCN(CC1)CC1(Oc2n(C1)cc(n2)[N+](=O)[O-])C	PC-id_77713087	499.44	JETWPOOOOPIFFD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155121
O=C(NC1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])OCc1ccc(cc1)OC(F)(F)F	PC-id_140519108	499.44	OAQLQMZLKSRDEJ-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155122
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]CCc2ccccc2)cc1	PC-id_2296447	499.443	USHBLGUFEOZEIZ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-155123
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCC)sc2c(CCC2)c1C(=O)NCCCOCC	TIMTEC256741,EMOLS-id_2471812,ChEMBL-DNDi_CHEMBL7813801,CoCoCo_997987,ZINC22_16346932,PC-id_2956639,MCULE-7636221063	499.45	KCBNGJHVSOVKBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155124
OCC1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(CNOP(=O)(O)O)C)CC1	SCHEMBL18498376	499.475	OUCHBHKKAYPOSF-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-155125
c1(NC(=O)COc2nonc2C(=O)Nc2cc(OC)c(OC)c(OC)c2)sc2CCCc2c1C#N	MCULE-1614110580,EMOLS-id_333680117	499.496	AGQILLUTQLCNCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155126
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2CCN(CCC(F)(F)F)CC2)C3(C)C)n1	SCHEMBL3325794,PC-id_59333977,BindingDB-id_546119,BindingDB_PC-id_59333977	499.505	JISGJXUNHIZAJK-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155127
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OCc2c(onc2C)C)cc1)C(=O)N	PC-id_4546395	499.536	NOSPEDOFUFEAQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155128
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9902746494	499.538	ARRNOZJXNSZMPO-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155129
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-6566582051	499.538	MPQPZRRKGUPLPZ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155130
COc1cc(cc(c1OC)OC)C(C1C(=O)n2c(ncn2)S1)N1CCN(CC1)C(=O)c1ccco1	PC-id_134716059	499.539	LVHVIFOTWFJFMF-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-155131
[O-][N+](=O)c1nc2n(c1)C[C@](O2)(C)COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1	SCHEMBL16624971,PC-id_117999650	499.539	GDHGKJBFFRKGMC-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155132
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)c2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_333676791,MCULE-5680992215	499.541	KNWMLWVDKYSRJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155133
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333678327,MCULE-6862817931	499.541	DYSYYENUVFCXKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155134
s1c2c(CCC2)c(c1Nc1nc(NCCc2cc(OC)c(OC)cc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127558	499.543	HUSAPGOEYISWLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155135
CC1(c2c(CN1C(=O)Nc1c(cccc1F)OC(F)F)c(n[nH]2)NC(=O)C1(CC1)S(C)(C)C)C	PC-id_135195472,SCHEMBL20348604	499.55	ZKWSRKYRGLOFOL-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-155136
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCOCC1	PC-id_24751046,SCHEMBL4279135	499.558	GQDBULFIFLLPTN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155137
OCC1CCCN(C1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	SCHEMBL4283250,PC-id_24751471	499.558	QFOSYXDMFLNMPJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155138
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1)C(=O)N	PC-id_55355094	499.559	GJBTUBYMWKELGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155139
CN1CCN(CC1)c1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24751334,SCHEMBL4290101	499.561	KMLZWXLROLZVQE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155140
CN1CCN(CC1)c1ccc(cc1N)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	SCHEMBL4286628,PC-id_24751607	499.561	NAPBGGQVNBMJHY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155141
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)CCC	MCULE-3287888661	499.563	VBVIMIPCHYFFCY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155142
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=Cc1cccc(c1)c1ccc(cc1)O	SCHEMBL1004204	499.577	LGZUIMQXJZZZOF-HAVVHWLPSA-N	00000010100000110000100010000000000000000000000000000000	25-01-155143
S(=O)(=O)(n1c2CCC(=Cc3cc(ccc3)c3ccc(O)cc3)c2cc1C(=O)OC)c1ccc(cc1)C	PC-id_66873504	499.577	LGZUIMQXJZZZOF-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-155144
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cc(c(cc1)C(=O)NCCc1ccccc1)F	PC-id_89237093,SCHEMBL14055658	499.578	UYXFVWJJSBZLMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155145
ONC(=O)[C@](S(=O)(=O)C)(CCn1cc2n(c1=O)C=C(C2)C#Cc1ccc(cc1)C1(CO)CCC1)C	PC-id_118368910	499.579	IVWIJHDWZCKFET-XMMPIXPASA-N	00001011100000110001100010000000000000000000000000000000	25-01-155146
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CO)CCC1)C	SCHEMBL18729992	499.579	IWEBEOPHKRFPCK-XMMPIXPASA-N	00001010100000110001100010000000000000000000000000000000	25-01-155147
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CO)CCC1)C	SCHEMBL18729995	499.579	IWEBEOPHKRFPCK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155148
s1c2c(CCC2)c(c1NC(=O)COC(=O)C1CCCN(C1)C(=O)Nc1ccccc1)C(=O)OCC	PC-id_55426185	499.579	GSHXFULMSPNPDH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-155149
s1c2c(CCC2)c(c1NC(=O)COC(=O)/C(=C/c1c(n(c(c1)C)CCOC)C)/C#N)C(=O)OCC	PC-id_41141846	499.579	OQNPLNIPXSPVTN-LDADJPATSA-N	00000010110000000000000010000000000000000000000000000000	25-01-155150
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(=Cc1c(n(c(c1)C)CCOC)C)C#N)C(=O)OCC	PC-id_74749056	499.579	OQNPLNIPXSPVTN-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-155151
CCc1cccc(OCc2nc3s/c(=Cc4ccc(OCc5ccccc5)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324887052	499.581	OHIJGDRPLGMLNG-XYGWBWBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155152
CCc1ccc(OCc2nc3s/c(=Cc4ccc(OCc5ccccc5)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324890114	499.581	FTGQZZHRPJOCMR-XYGWBWBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155153
COc1cc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc(OC)c1OC	EMOLS-id_324829428	499.581	UEIQUPSXFCGADX-JLPGSUDCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155154
COc1cc(/C=c/2sc3nc(CCCOc4ccccc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324852473	499.581	XKIHDFMOCMEIPG-BWAHOGKJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155155
COc1cc(/C=c/2sc3nc(COc4c(C)cccc4C)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324871691	499.581	LFQGQLWUZDFQNR-IWIPYMOSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155156
COc1cc(/C=c/2sc3nc(COc4cccc(C)c4C)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324877837	499.581	QSHMVEOWCXQKSU-MYYYXRDXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155157
COc1cc(/C=c/2sc3nc(COc4cc(C)ccc4C)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324883968	499.581	NUQCCZQQDVYPPA-MYYYXRDXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155158
COc1ccc(CCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324892686	499.581	VOQRPFIQHHPXTG-UQQQWYQISA-N	00000000100000110001000010000000000000000000000000000000	25-01-155159
COc1ccc(OCCCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)cc1	EMOLS-id_324893189	499.581	ZJELOFNNSQWBKL-BWAHOGKJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155160
Fc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1	PC-id_25095912,BindingDB_PC-id_25095912,SCHEMBL596946	499.581	SKHYVDSVPORMJU-CVEARBPZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-155161
Fc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6378727,PC-id_59508349	499.581	ZDGNWHJIGQAPEI-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155162
Fc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)N1C(CN(CC2CCOCC2)CC1)C)(C)C	PC-id_72310475	499.581	ZDGNWHJIGQAPEI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155163
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-3431347049	499.581	VOQRPFIQHHPXTG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155164
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CCCOc1ccc(OC)cc1	MCULE-7193737629	499.581	ZJELOFNNSQWBKL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155165
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)CCCOc1ccccc1	MCULE-1662271949	499.581	XKIHDFMOCMEIPG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155166
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1ccc(cc1)CC	MCULE-3547763330	499.581	FTGQZZHRPJOCMR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155167
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1cc(C)ccc1C	MCULE-3730648179	499.581	NUQCCZQQDVYPPA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155168
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1cccc(C)c1C	MCULE-8109996492	499.581	QSHMVEOWCXQKSU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155169
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1c(C)cccc1C	MCULE-8494245233	499.581	LFQGQLWUZDFQNR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155170
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1cccc(CC)c1	MCULE-6916074467	499.581	OHIJGDRPLGMLNG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155171
n12nc(nc1sc(=Cc1cc(c(OC)c(OC)c1)OC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-2149989856	499.581	UEIQUPSXFCGADX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155172
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CCO)sc2CCCc2c1C#N	MCULE-8941542245,EMOLS-id_331927583	499.583	CBOKGBLXGVMUPQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155173
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CCO)sc2CCCc2c1C#N	MCULE-2673690067,EMOLS-id_331928093	499.583	LFBYAIQHFQRJRS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155174
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331930907,MCULE-1619501965	499.583	GOEYGDVCRPKWDW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155175
s1c2c(CCC2)c(c1NC(=O)CN(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CC)C(=O)OC	PC-id_73278012	499.583	UJIKDSYDBFCLCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155176
s1c2c(CCC2)c(c1NC(=O)CN(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)C)C(=O)OCC	PC-id_76243034	499.583	ZJTMLLMZBNCUSZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155177
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(OC)cc3)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053198	499.583	DYIOXJIASRKUTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155178
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(OC)ccc3)n(nc2C1)CC(=O)NCC1OCCC1	PC-id_44053197	499.583	QHYLYXJYVBPTIY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155179
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3sc4c(c3C(=O)N)CCC4)cc2)cc1	EMOLS-id_3409405,MCULE-5127416193,PC-id_4786982,ZINC22_9318435,CoCoCo_3158473	499.602	BRYBLVNBGHLWQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155180
CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)cc1	CoCoCo_3154865,PC-id_2491034,EMOLS-id_3291446,MCULE-5910372702,ZINC22_3373268	499.602	KGDMQHZAENXHOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155181
CCOC(=O)c1c(NC(=O)COc2ccc(c3csc(C)n3)cc2NC(=O)C)sc2c1CCC2	CoCoCo_4267980,ZINC22_32814327,MCULE-9769133022,PC-id_40048980,EMOLS-id_24063168	499.602	MBDRXMVDRZXDTL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155182
O=C(NNC(=O)c1sc2c(c1)CCC2)COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)C	PC-id_24414328,EMOLS-id_43876303,MCULE-6305241762,CoCoCo_3440036	499.602	YUVLCGFVEIVKOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155183
s1c2CCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccc(CC)cc2)c(OC)cc1	PC-id_24414309	499.602	QSQPFSXZWGQOQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155184
C[C]1CN(C(=O)N2Cc3c(Nc4nc(C)ncc4F)n[nH]c3C2(C)C)[C@@H](C)CN1CC1CCOCC1	ZINC22_1560408771	499.604	HVIKBEDPYZWANC-INIZCTEOSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155185
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c2CSCc2nn1CC(=O)NCc1ccccc1	CoCoCo_5277745,ZINC22_23139448,MCULE-3199646538,EMOLS-id_24913505,PC-id_30862696	499.606	KLNLLFAVVPBBKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155186
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCCO)sc2CCCc2c1C#N	EMOLS-id_331791544,MCULE-3015984954	499.606	MGHZOMPWORZOGP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155187
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CC(C)O)sc2CCCc2c1C#N	MCULE-3758662562,EMOLS-id_331790774	499.606	RQNXSJNPPNBYTK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155188
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCOC)sc2CCCc2c1C#N	MCULE-9659386770,EMOLS-id_331786686	499.606	RHJWZRILRGHOPN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155189
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331791797,MCULE-3452123155	499.606	QBQGNLZDLNFACN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155190
CCc1noc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(CC1C)CC1CCOCC1	PC-id_71053268,SCHEMBL14038564	499.606	LXEURPVQYXYEGI-KLAILNCOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155191
CCc1noc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(C[C@H]1C)CC1CCOCC1	PC-id_122626127,SCHEMBL18155668	499.606	LXEURPVQYXYEGI-YNPPLXCJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155192
CCc1noc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL6378700,PC-id_59508370	499.606	LXEURPVQYXYEGI-GARXDOFDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155193
CCc1occ(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	PC-id_59508372,SCHEMBL10076835	499.606	GDRIKOJJFSDFDL-INIZCTEOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155194
CCc1occ(n1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1CC(C)N(CC1C)CC1CCOCC1	PC-id_145493506	499.606	DTMKZKAHDFKLGM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155195
CCc1ocnc1C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_59508182,SCHEMBL6377421	499.606	JIHIKEIRPMJMAN-GARXDOFDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155196
CCc1onc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_59508280,SCHEMBL6378365	499.606	SQYWSWTUXWIRGG-GARXDOFDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155197
C[C@H]1CN(CC2CCOCC2)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1noc(c1)C)C	PC-id_145493501	499.606	XYLMSRHGWHQYPJ-LYKKTTPLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155198
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncoc1C)C	SCHEMBL601966,PC-id_66740171	499.606	ZBNBODMSUWJJJG-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155199
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1noc(c1)C)C	BindingDB_PC-id_66739188,PC-id_66739188,SCHEMBL598542	499.606	XYLMSRHGWHQYPJ-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155200
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1onc(c1)C)C	SCHEMBL596983,PC-id_59508261,BindingDB_PC-id_59508261	499.606	YNCPJWICZZKPFP-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-155201
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1nc(oc1C)C)C	SCHEMBL6378388,PC-id_69759024	499.606	VGWBYJXHGLNKQA-YSPPHNQVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155202
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1oc(nc1C)C)C	SCHEMBL6376542,PC-id_69758510	499.606	NCERMBMQAILECR-CKDQBVIESA-N	00000010100010000001000010000000000000000000000000000000	25-01-155203
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncoc4C)c3C2)(C)C)C)CC1	PC-id_77183236	499.606	ZBNBODMSUWJJJG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155204
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncoc4CC)c3C2)C)C)CC1	PC-id_72310321	499.606	JIHIKEIRPMJMAN-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155205
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4nc(oc4C)C)c3C2)C)C)CC1	PC-id_77708912	499.606	VGWBYJXHGLNKQA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155206
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4noc(c4)C)c3C2)(C)C)C)CC1	PC-id_77183046	499.606	XYLMSRHGWHQYPJ-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155207
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4noc(c4)CC)c3C2)C)C)CC1	PC-id_72310414	499.606	SQYWSWTUXWIRGG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155208
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4oc(nc4C)C)c3C2)C)C)CC1	PC-id_77708810	499.606	NCERMBMQAILECR-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155209
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4onc(c4)C)c3C2)(C)C)C)CC1	PC-id_72310395	499.606	YNCPJWICZZKPFP-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155210
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4onc(c4)CC)c3C2)C)C)CC1	PC-id_72310495	499.606	LXEURPVQYXYEGI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155211
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4nc(oc4)CC)c3C2)(C)C)C)CC1	PC-id_72310497	499.606	GDRIKOJJFSDFDL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155212
s1c2c(CCC2)c(c1NC(=O)CSc1n(c2cc(NC(=O)C)ccc2)c(nn1)C)C(=O)OCC	PC-id_55570599	499.606	IALYFPKXTDRSRQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155213
O=C(n1cc2C(NNc2c1)NC(=O)c1ccc(N2CCN(C=C2)C)cc1)Nc1c(CC)cccc1CC	PC-id_74829218	499.607	ZUDDNIHPKTWQTR-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-155214
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCCC)sc2CCCc2c1C#N	MCULE-7691811701,EMOLS-id_331786431	499.609	DFZITLNPVDCHFF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155215
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CC(C)C)sc2CCCc2c1C#N	MCULE-8092360583,EMOLS-id_331784894	499.609	VJZGUHXESAEKLM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155216
CC(C)(C)C1CCC(CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	SCHEMBL14056936,PC-id_89238222	499.622	HQFFAMGJKVUMDR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-155217
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)N	PC-id_51556774	499.622	YEGYGHIJPDRLTA-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155218
s1c2c(CCC2)c(c1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)N	PC-id_51666722	499.622	YEGYGHIJPDRLTA-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155219
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)N	PC-id_3676996	499.622	YEGYGHIJPDRLTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155220
CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328218239,MCULE-6069959070	499.624	ZWMBFZTYHQQKAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155221
s1c2c(CCC2)c(c1NC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)NCCc1ccccc1	PC-id_52088117	499.624	LXKQZYBMDMMBJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155222
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CCO)sc2CCCc2c1C#N	MCULE-7608532436,EMOLS-id_331930142	499.626	KTMKFRYEEVAMGH-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155223
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCN(C)C)sc2CCCc2c1C#N	MCULE-4449404628,EMOLS-id_331928857	499.626	XHFLUGZMAGKFDY-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155224
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CC(C)O)sc2CCCc2c1C#N	MCULE-2638352081,EMOLS-id_331924766	499.626	MSKZWNIIPOCARW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155225
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCCO)sc2CCCc2c1C#N	MCULE-3747338399,EMOLS-id_331927572	499.626	BGIGDDKZTUMSBY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155226
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCOC)sc2CCCc2c1C#N	MCULE-5218075045,EMOLS-id_331922967	499.626	JKJQINJMLQKKDP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155227
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CCC)sc2CCCc2c1C#N	EMOLS-id_331920915,MCULE-9642409556	499.626	IAAGAYPZDMDUEO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155228
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCCOC)sc2CCCc2c1C#N	MCULE-9401696780,EMOLS-id_331921180	499.626	PGKYWWQMIQIKDV-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155229
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331927826,MCULE-2949408391	499.626	FDGHNUNUBKHGRI-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-155230
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCN(C)C)sc2CCCc2c1C#N	MCULE-2757761431,EMOLS-id_331931156	499.626	XXDQZKNVLBXGKU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155231
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331929628,MCULE-1432280245	499.626	HYAWRLQUVGPBSO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155232
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCN2CCOCC2)sc2CCCc2c1C#N	MCULE-8794400809,EMOLS-id_331926556	499.626	XRDLBUZEEXJUJI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155233
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2	SCHEMBL14058150,PC-id_89239145	499.626	CXXLEZLXGPALBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155234
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CS(=O)(=O)c1ccccc1)CC=C)C#N	PC-id_23406659	499.629	FAPYSTMHNMCODD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155235
COc1cccc(c1)CN1[C@@H](C(=O)NC2CCCCCC2)c2c(C1=O)c(n(c2C)Cc1ccccc1)C	CoCoCo_2180987	499.644	DCHYJKZIQDTWRD-GDLZYMKVSA-N	00000010100000110100000010000000000000000000000000000000	25-01-155236
COc1cccc(c1)CN1[C@H](C(=O)NC2CCCCCC2)c2c(C1=O)c(n(c2C)Cc1ccccc1)C	CoCoCo_2180988	499.644	DCHYJKZIQDTWRD-LJAQVGFWSA-N	00000010100000110100000010000000000000000000000000000000	25-01-155237
O=C(NC1CCCCCC1)C1N(C(=O)c2c1c(n(c2C)Cc1ccccc1)C)Cc1cc(OC)ccc1	PC-id_20886185	499.644	DCHYJKZIQDTWRD-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-155238
CCc1cccc(c1NC(=O)N1Cc2c(C1)[nH]cc2CC(=O)c1ccc(cc1)N1CCN(CC1)C)CC	PC-id_140919660	499.647	HIIRWUOKHHJXIY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155239
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)N)C)N1CC(OC(C1)C)C	PC-id_55626204	499.647	XMDZWXDVERYESW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155240
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(nc1)N	SCHEMBL18367991	499.649	OKNKSGMFKDUWMZ-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-155241
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(nn1)C	SCHEMBL18367966	499.649	NBWOTIXOOOIOCY-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155242
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1cnc(nc1)C	SCHEMBL18367987	499.649	FMLXSXRDRAVDID-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155243
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC(C)C)c(nn1)COc1ccccc1)C(=O)N	PC-id_27453150	499.649	KKAVOPGUBJEWJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155244
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC)C(=O)OCC	PC-id_20127812	499.649	FUDIFDMXIYVHAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155245
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)C)C(=O)OC	PC-id_19641749	499.649	CEHQDMLIOJGNFE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155246
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC)C(=O)OCC	PC-id_20128140	499.649	AULAAWNMBBXAKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155247
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331929877,MCULE-1362986851	499.669	WMMCGQUKTNVVCP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155248
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCN(C)C)sc2CCCc2c1C#N	MCULE-6367895366,EMOLS-id_331929112	499.669	MNYWXHHPYNGTCQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155249
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCN(C)C)sc2CCCc2c1C#N	MCULE-8254379517,EMOLS-id_331927577	499.669	MRFCQOKQSANBSL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155250
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331929362,MCULE-7177952453	499.669	XQODGGZZAPVJMI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155251
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCN(CC)CC)sc2CCCc2c1C#N	MCULE-1473465358,EMOLS-id_331930647	499.669	VYLRMMHPUSMFEH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155252
N#CC(NC(=O)[C@@]1(N)Cc2c(C1)ccs2)Cc1ccc(cc1)c1ccc(cc1)CN1CCN(CC1)C	PC-id_68353410,SCHEMBL12688197	499.67	GOHKRKSVBBIKSI-BTMGADRYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155253
s1c2CC(N)(Cc2cc1)C(=O)NC(Cc1ccc(c2ccc(CN3CCN(CC3)C)cc2)cc1)C#N	PC-id_77466580	499.67	GOHKRKSVBBIKSI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155254
CC[C@H](c1nnc(n1Cc1ccccc1)SCC(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH+](C)C	PC-id_2161127,GD-id_ZINC02725864	499.672	LPJYGZYIRLPAEQ-QGZVFWFLSA-O	00000010100000110001000010000000000000000000000000000000	25-01-155255
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)[C@@H]([NH+](C)C)CC)Cc1ccccc1)C(=O)N	PC-id_2161125	499.672	LPJYGZYIRLPAEQ-KRWDZBQOSA-O	00000010100000110001000010000000000000000000000000000000	25-01-155256
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C([NH+](C)C)CC)Cc1ccccc1)C(=O)N	PC-id_78262821	499.672	LPJYGZYIRLPAEQ-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-155257
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)c(Cl)cc1	PC-id_44053156	499.809	UXFLXCUICQOSSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155258
Clc1c(cc(NC(=O)c2sc(nc2)[C@H](NC(=O)c2n3CC(=O)Nc3nc2)C)nc1)C(F)(F)F	PC-id_70871825,SCHEMBL13275425	499.854	SZPZCFSIVNMOQR-SSDOTTSWSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155259
Clc1c(cc(NC(=O)c2sc(nc2)C(NC(=O)c2n3CC(=O)Nc3nc2)C)nc1)C(F)(F)F	PC-id_77935132	499.854	SZPZCFSIVNMOQR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155260
C[C@H](c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1cnc2n1CCN2C	PC-id_68072502,SCHEMBL10235209	499.897	FPPXPQVUFNXQEC-SECBINFHSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155261
Clc1c(cc(NC(=O)c2sc(nc2)C(NC(=O)c2n3CCN(c3nc2)C)C)nc1)C(F)(F)F	PC-id_77453932	499.897	FPPXPQVUFNXQEC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155262
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)sc2c1CCC2	ZINC22_3259129,PC-id_2375873,EMOLS-id_43746599,CoCoCo_2989052,MCULE-8013346435	499.963	JVIQMLVUXRNQJC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155263
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1cc(ccc1)Cl	PC-id_89237294,SCHEMBL14055886	499.967	ZBIIAAHUJRVRKT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155264
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)Cl	PC-id_89238710,SCHEMBL14057513	499.967	VDVHFVLZTSCUKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155265
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1cc(c(cc1)NC(=O)CCc1ccccc1)Cl	PC-id_89237300,SCHEMBL14055892	499.967	TVZFWQJLCFOILV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155266
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1c(cc(cc1)NC(=O)CCc1ccccc1)Cl	SCHEMBL14055906,PC-id_89237314	499.967	HPYKZKGPAQIMIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155267
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc1	PC-id_44053322	499.97	CJGYBBUMSXPNFZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-155268
NC(=O)c1c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)sc2c1CCC2	PC-id_2116262,MCULE-7658428852,EMOLS-id_3224030,ZINC22_2652887,CoCoCo_2965091	499.988	WYVLHDGJEVQAMC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155269
Clc1ccc(c2oc(nc2)CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCC2OCCC2)cc1	PC-id_75783657	500.01	VWIAVHFWRYNVDB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155270
Clc1ccc(c2oc(nc2)CCC(=O)Nc2sc3c(CCC3)c2C(=O)NC[C@H]2OCCC2)cc1	PC-id_52088477	500.01	VWIAVHFWRYNVDB-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155271
Clc1ccc(c2oc(nc2)CCC(=O)Nc2sc3c(CCC3)c2C(=O)NC[C@@H]2OCCC2)cc1	PC-id_52088478	500.01	VWIAVHFWRYNVDB-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155272
Clc1ccc(cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)S(=O)(=O)N1CCOCC1	MCULE-8384659014,EMOLS-id_328218743	500.01	HUDGUEYHVMBMJA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155273
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)Cl)CC)sc2CCCc2c1C#N	MCULE-9880500726,EMOLS-id_331789748	500.033	OXVSTQJARPGDHW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155274
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl	PC-id_2206182,EMOLS-id_2239909,TIMTEC74247,MCULE-7108126370,CoCoCo_991351,ZINC22_2852543	500.054	BGNQAYDWPXHMHF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155275
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(Cl)cccc1C1CC1	PC-id_140882966	500.108	RREKHHKRZLEUFO-UHFFFAOYSA-N	00101010100000110001100010000000000000000000000000000000	25-01-155276
CN1C(=CC(=N1)C2=CC=C(C=C2)OC(F)(F)F)NC3=C(C(=CC(=C3)O)O)C(=O)N4CC5=C(C4)NN=C5	PC-id_155268987,CHEMBL4471779	500.142	KLHRORZJXPZPCV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155277
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=CC=C(C=C4)F	PC-id_147936861	500.16	IKYQMLTXLZWUDE-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155278
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)N[C@@H](C4=NC(=CO4)C)C(C)C)F	PC-id_161744577	500.163	JMMWYQQIEALNJM-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155279
Brc1c(OC)c(C=CC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc(Br)c1	PC-id_4503675	500.204	MYISHYYRNBFWAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155280
CC1=C(C=C(C=C1)CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)OC)C(F)(F)F	PC-id_161551172	500.204	GOJDYKDDGXPKML-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155281
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)CC(=O)OC)CC4=CC(=CC=C4)C(F)(F)F	PC-id_161801021	500.204	DKRPGLODRPYZNQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155282
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_6131670,ZINC22_16194451	500.204	MYISHYYRNBFWAB-AATRIKPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155283
CC1=C(C(=CC=C1)C2CCN(CC2(F)F)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)O)C	PC-id_150721884	500.26	JQAHNLNSTIGMIH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155284
CC1=C(C=CC(=C1)F)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)(CF)O	PC-id_152192372	500.26	VTNUGNQYWZEBTN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155285
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=C(C=C5)F)F)C	PC-id_150988403	500.26	LROQQWAZJLFZOI-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155286
Cc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1	MCULE-8159275189,PD101354,BindingDB_PC-id_25155745,EMOLS-id_53744924,PC-id_25155745,BindingDB-id_546066,ZINC22_140050809,SCHEMBL3325504	500.3	DKXZBPBWIGORKP-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155287
COC(=O)C1(CCn2c1c(Br)cc2C(=O)c1ccccc1S(=O)(=O)OC)C(=O)OC	PC-id_88714528,SCHEMBL11048499	500.317	MPTFSMKZSDOOJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155288
FC(F)(F)c1ccccc1/C=c/1sc2nc(CCCOc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324915203	500.321	IWFINONCZCVMPB-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155289
FC(F)(F)c1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324918786	500.321	HPWXDTIPBPDVRH-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155290
n12nc(nc1sc(=Cc1ccc(cc1)C(F)(F)F)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-5539189905	500.321	HPWXDTIPBPDVRH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155291
n12nc(nc1sc(=Cc1ccccc1C(F)(F)F)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-8351148374	500.321	IWFINONCZCVMPB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155292
CC(c1c(ccc(c1)F)C(=O)N(C)C1CCn2c1cc(n2)C#N)Oc1nc(cnc1N)Br	PC-id_89828020	500.324	DJEXMGJHZZJPIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155293
N#Cc1nn2c(c1)C(CC2)N(C(=O)c1ccc(cc1[C@H](Oc1nc(Br)cnc1N)C)F)C	SCHEMBL15289956	500.324	DJEXMGJHZZJPIU-ZVDHGWRTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155294
COc1ccc(Br)cc1/C=c/1sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O	ZINC22_16742278,EMOLS-id_45965769	500.365	HCLAHCUTESSWOD-RZUATBGRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155295
n12nc(nc1sc(=Cc1cc(Br)ccc1OC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6128704438	500.365	HCLAHCUTESSWOD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155296
CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(c2)I)sc2c1CCC2	PC-id_105534278	500.374	ILGIRJBKCQCUKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155297
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OCCc1ccccc1	PC-id_17072684	500.405	ZSNXYLAYBOEZHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155298
Brc1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCc2ccccc2)cc1	PC-id_17046104	500.405	XDSWLVNPDXSCKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155299
Brc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(c2ccccc2)c1	PC-id_4960624	500.405	HSPKYHCXWZKFAS-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-155300
Clc1cc(Cn2c3c(C(CC3)C(=O)OC(C)(C)C)cc2C(=O)OCc2ccccc2)ccc1Cl	PC-id_9913893	500.414	MXMDHAMVFXKUTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155301
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@](C)(C(=O)NC)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19920517,PC-id_134302806	500.419	GFFVOEVMSGLFDI-OAQYLSRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155302
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@@](C)(C(=O)NC)C(F)(F)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20238818,PC-id_134586493	500.419	GFFVOEVMSGLFDI-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155303
CNC(=O)C(C)(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)n2CCCc12)C(F)(F)F	PC-id_134303030,SCHEMBL19920750,BindingDB-id_799437	500.419	GFFVOEVMSGLFDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155304
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH2+]Cc2ncccc2)cc1	PC-id_40474150	500.431	HJTAMRODPYFHPV-UHFFFAOYSA-O	00000010100000111000000010000000000000000000000000000000	25-01-155305
O=C(N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F)OC(C)(C)C	SCHEMBL17222882,PC-id_118483349	500.462	OTOWPGZZSIFUFA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155306
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(C=O)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758649	500.47	WGNGVJFKWWKAIY-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155307
COC(=O)c1ccc(cc1)C(NC(=O)c1c(C=O)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758736	500.47	WGNGVJFKWWKAIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155308
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C)F	PC-id_134599004,SCHEMBL20252905	500.473	MBTMWQVMIOCULV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155309
Cc1ccc(cc1)NC(=O)c1c(c(c2n1C[C@@H](C2)F)C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C	PC-id_134599013,SCHEMBL20252914	500.473	TZTPIZGKPRIRDP-CQSZACIVSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155310
Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cn(C)nn1	PC-id_139434826,SCHEMBL21296652,BindingDB-id_980713	500.473	ZRRLPSBZRKJLEJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155311
Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn(C)n1	BindingDB-id_980712,SCHEMBL21296720,PC-id_139434883	500.473	WLWWAGIRANUITH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155312
Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnnn1C	BindingDB-id_980710,SCHEMBL21296700,PC-id_139434864	500.473	GMUGKBVYWACGJD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155313
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1csc2c1N(Cc1ccc(cc1)C(F)(F)F)C(=O)C2	PC-id_44818912,SCHEMBL196041	500.49	FBXSYJXXLPENRQ-UHFFFAOYSA-N	00100010100000110000100010000000000000000000000000000000	25-01-155314
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CC(F)(F)F)(C(=O)NO)S(=O)(=O)C	PC-id_135315379,SCHEMBL20484843	500.491	KWSCJPJYUMIDGS-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-155315
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)CC(F)(F)F)C	SCHEMBL18588207	500.491	KWSCJPJYUMIDGS-HXUWFJFHSA-N	00001010100000000001000010000000000000000000000000000000	25-01-155316
C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C	BindingDB-id_546095,BindingDB_PC-id_25159111,PC-id_25159111,SCHEMBL3323010	500.493	CEOVOUHGBMXHLJ-NEPJUHHUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155317
C[C@@H]1CN([C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)OCC(F)(F)F)C)C	PC-id_135331969,SCHEMBL20503388	500.493	CEOVOUHGBMXHLJ-VXGBXAGGSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155318
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CC)C	SCHEMBL18758576	500.513	LFGBRJBQHWKBHW-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155319
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(CC)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758589	500.513	PMYBGXFCKYMGRH-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155320
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(C)nn2c1N(CC2)[C@@H](c1ccc(cc1)C(F)(F)F)C)C	SCHEMBL18758713	500.513	CCAZNKQVZUFFOA-DOTOQJQBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155321
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CCO)sc2CCCc2c1C#N	MCULE-3937890779,EMOLS-id_332716623	500.518	GHRWJBRNTMRSOE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155322
COc1cc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc(c1O)[N+](=O)[O-]	EMOLS-id_324829432	500.526	FIJXWPGDZSCCHB-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155323
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-6559774748	500.526	OEXCUHNMTIGQAT-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155324
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-8335194541	500.526	HBDFLKLNCMOBBX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155325
n12nc(nc1sc(=Cc1cc(c(O)c(N(=O)=O)c1)OC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-6246258813	500.526	FIJXWPGDZSCCHB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155326
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)Nc2ccccc2)sc2CCCc2c1C#N	MCULE-9465425768,EMOLS-id_333678326	500.529	OBXQLBOVZUIAMV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155327
s1c2CCC(c2nc1NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_16947156	500.536	SOXWRNRSUFACQN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155328
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053617	500.543	JSUCQJQBCIUUBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155329
OCC1NCCN(C1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24750750,SCHEMBL4286487	500.546	MEMCSNDPZZROHM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155330
S(=O)(=O)(N1Cc2c([nH]nc2NC(=O)c2ccc(N3C(CNCC3)CO)cc2)C1)c1cc(F)ccc1	PC-id_24750751	500.546	LBWKOVPMHWVDLC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155331
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1Cc2n(nc[n+]2C)C1	PC-id_85105314	500.547	LWIQWWPPLCWBBZ-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155332
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CC[n+]2c1n(nc2)C	PC-id_85143375	500.547	MHOREPHOUPUMBS-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155333
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCn2[n+](cnc12)C	PC-id_85098221	500.547	DUSNHMZLODAZGY-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155334
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1Cc2n(nc[n+]2C)C1	PC-id_10055026	500.547	LWIQWWPPLCWBBZ-DJGIDUOVSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155335
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CC[n+]2c1n(nc2)C	PC-id_10439226	500.547	MHOREPHOUPUMBS-YFGFQBIWSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155336
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCn2[n+](cnc12)C	PC-id_10032184	500.547	DUSNHMZLODAZGY-YFGFQBIWSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155337
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC(C1)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484895,PC-id_135315420	500.567	DWSNQBOVRHGDJY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155338
Cn1cc2CN(Cc2n1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N	PC-id_122488126,BindingDB-id_857139,SCHEMBL18016021	500.567	FWJMGOKMWGJPDE-CCDWMCETSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155339
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CC(C1)O)C	SCHEMBL20484893	500.567	DWSNQBOVRHGDJY-XMMPIXPASA-N	00001010100000110001000010000000000000000000000000000000	25-01-155340
s1c2CCCc2cc1C(=O)OCC(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCOC	PC-id_74378568	500.567	PPSPPRSDZHJLKV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155341
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-4569660140,EMOLS-id_332715592	500.569	NBBAKDKQGMWFDW-UHFFFAOYSA-N	00000010101000111000000010000000000000000000000000000000	25-01-155342
COc1ccc(cc1)n1c(C)cc(c1C)/C=C(/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2)C#N	CoCoCo_2865047,PC-id_17552524	500.569	JXODHGYLFGXAHX-XDHOZWIPSA-N	00000010110000110000100010000000000000000000000000000000	25-01-155343
COc1ccc(cc1)n1c(C)cc(c1C)C=C(C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2)C#N	PC-id_71954458,MCULE-7990985644,EMOLS-id_43705615	500.569	JXODHGYLFGXAHX-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-155344
COc1ccc(cc1)n1c(C)cc(c1C)/C=C(C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2)/C#N	PC-id_97930679,CoCoCo_2865048	500.569	JXODHGYLFGXAHX-UNOMPAQXSA-N	00000010110000110000100010000000000000000000000000000000	25-01-155345
CN(C[C@@H](NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC1CCCN(C1)C(=O)c1ccc(cc1)N)P)C	PC-id_121443983,SCHEMBL17878703	500.577	GAJOVKXKQTYGQV-NNBQYGFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155346
Fc1ccc(c(c1)F)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCCC1	PC-id_59508307,SCHEMBL6376531	500.584	OVDFANHQQBTECZ-INIZCTEOSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155347
Fc1c(C(=O)Nc2n[nH]c3C(N(C(=O)N4C(CN(CC5CCCC5)CC4)C)Cc23)(C)C)ccc(F)c1	PC-id_72310440	500.584	OVDFANHQQBTECZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155348
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-3801785128,PC-id_24223387	500.587	BHIIPWQOCIKSQY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-155349
COC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)sc2c1CCC2	ZINC22_408608519	500.587	NWHOIHIWNBXJIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155350
COC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408623014	500.587	XIGMFKYAZZEEST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155351
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408629497	500.587	CBAOUXJXURVLQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155352
COC(=O)c1c(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408617148	500.587	HWZWBUVHAXPZAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155353
COC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408628660	500.587	ZQJMEPUPHWCGSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155354
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408619089	500.587	LWJLIDOBWPKZLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155355
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)C(c1ccccc1)c1ccccc1	PC-id_44053634	500.587	PCAYTRPAICRQFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155356
S1Cc2c(nn(c2NC(=O)Cc2ccc(cc2)c2ccccc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053745	500.587	ASLPNFMGWAZHBX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155357
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)NCCc1ccc(S(=O)(=O)N)cc1	PC-id_16947959	500.59	LIHZHLLXRVXRQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155358
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1nonc1C)C	SCHEMBL597594,BindingDB_PC-id_59508173,PC-id_59508173	500.594	RCXHIRPZGMVEDY-CABCVRRESA-N	00000010100010000001000010000000000000000000000000000000	25-01-155359
CCN(C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ccc(cc1)F)[C@H](CN(CC1CCOCC1)C)C	SCHEMBL18155599,PC-id_122626061	500.609	FYCYPKURXQFHPJ-ZENAZSQFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155360
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(OC)cc1	EMOLS-id_328221048,MCULE-8113156507	500.609	XEJRJGRZBWWXQU-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-155361
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331928602,MCULE-8790400835	500.61	LNPSWXJXPKDHBU-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155362
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCCO)sc2CCCc2c1C#N	EMOLS-id_331927571,MCULE-3009797122	500.61	NMKXVMSFUGUPNX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155363
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CC(C)O)sc2CCCc2c1C#N	MCULE-7545182642,EMOLS-id_331924765	500.61	BIBHDQKYBPVRSI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155364
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCOC)sc2CCCc2c1C#N	MCULE-1412126568,EMOLS-id_331922966	500.61	ADUKBFJIQULFCE-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155365
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCCOC)sc2CCCc2c1C#N	MCULE-9867502185,EMOLS-id_331922205	500.61	OXKRYODLFWQWKI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155366
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331926812,MCULE-5373972169	500.61	DMEIVHXCSNNUGP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155367
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331929618,MCULE-2350601194	500.61	ZNUHDRRZCIBHJC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155368
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCOC)sc2CCCc2c1C#N	EMOLS-id_331920918,MCULE-2241573460	500.61	VONUPRWDKCNWGL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155369
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCCCCO)sc2CCCc2c1C#N	EMOLS-id_331934996,MCULE-7960241043	500.61	WGWKTHUHIJOKCQ-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-155370
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCOC(C)C)sc2CCCc2c1C#N	EMOLS-id_331928086,MCULE-8991910476	500.61	PELGDEHCSOKVOY-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-155371
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331930134,MCULE-8745561044	500.61	KPMNTJFNZYKRNK-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155372
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331921178,MCULE-1719557985	500.61	FVHULOUIGGXCFQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155373
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CC2CCCO2)sc2CCCc2c1C#N	MCULE-4402887901,EMOLS-id_331924496	500.61	ZVJPVPLGQPDSCQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155374
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CC=C)sc2CCCc2c1C#N	EMOLS-id_331925525,MCULE-6618467112	500.61	OIBJIKHERQNYMP-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155375
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CCCCC1)(C(=O)NO)S(=O)(=O)C	PC-id_135315198,SCHEMBL20484638	500.61	QFJGWVFQUAAOFQ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-155376
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C1CCCCC1)C	SCHEMBL20484635	500.61	QFJGWVFQUAAOFQ-RUZDIDTESA-N	00001010100010000001100010000000000000000000000000000000	25-01-155377
c1(NC(=O)c2[nH]nc(c3ccc(c(C)c3O)C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5845850439,PC-id_135785466	500.612	IUAJOZQNXQFAGN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155378
c1(NC(=O)c2[nH]nc(c3c(C)cc(cc3O)C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7406906658,PC-id_135785406	500.612	ZCOFRAKJTXJSNM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155379
c1(NC(=O)c2[nH]nc(c3cc(CC)ccc3O)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_135785354,MCULE-8827814417	500.612	XLWYVZBZVVFOAO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155380
c1(NC(=O)c2[nH]nc(c3cc(C)cc(C)c3O)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	TIMTEC605105,CoCoCo_6233589,CoCoCo_6233588,ZINC22_8845573,MCULE-6577971232,EMOLS-id_9409345,PC-id_135657209	500.612	ZUVWMMBFSZXVGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155381
c1(NC(=O)c2[nH]nc(c3c(O)cc(c(C)c3)C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5032272234,PC-id_135785498	500.612	KDFNLNVHOYEFEQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155382
CC1CN(C(C)CN1CC1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C	EMOLS-id_302053880,PD118448,MCULE-5132279210,SCHEMBL17275110,PC-id_118525412	500.612	DKXZBPBWIGORKP-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155383
Cc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1	ZINC22_888087075	500.612	DKXZBPBWIGORKP-HOTGVXAUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155384
Cc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@H]2C)C3(C)C)n1	ZINC22_888087076	500.612	DKXZBPBWIGORKP-HZPDHXFCSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155385
Cc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@H](C)N(CC4CCOCC4)C[C@H]2C)C3(C)C)n1	ZINC22_888087077	500.612	DKXZBPBWIGORKP-JKSUJKDBSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155386
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)n1nc(c2c1C(C)(C)NC2)Nc1nc(C)ncc1F)C	SCHEMBL17275124,PC-id_118525421	500.612	FPUCIACUMUYBHZ-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155387
C[C@H]1CN(C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)C)C)CC1CCOCC1	PC-id_134694249	500.612	DKXZBPBWIGORKP-LYKKTTPLSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155388
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C(=CC(=CC2=O)C)C)/NN1)C(=O)NCCc1ccccc1	PC-id_19131142	500.612	VRPPJFMFTMNUAV-GFMRDNFCSA-N	00000011100011110001100010000000000000000000000000000000	25-01-155389
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(C(=CC2=O)C)C)/NN1)C(=O)NCCc1ccccc1	PC-id_19131264	500.612	XUDFQIOPDLDUGM-MRCUWXFGSA-N	00000011100011110001100010000000000000000000000000000000	25-01-155390
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/2C=C(CC)C=CC2=O)/NN1)C(=O)NCCc1ccccc1	PC-id_19131072	500.612	LMMNWTJOEVITGN-MRCUWXFGSA-N	00000011100011110001100010000000000000000000000000000000	25-01-155391
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C(=CC(=C2)C)C)/NN1)C(=O)NCCc1ccccc1	PC-id_16445427	500.612	RMIKDTZESFFWGY-MRCUWXFGSA-N	00000011100011110001100010000000000000000000000000000000	25-01-155392
s1c2c(CCC2)c(c1NC(=O)C1=C/C(=C/C(=O)C(=C(C=C2)C)C)/NN1)C(=O)NCCc1ccccc1	PC-id_19131224	500.612	KEJBYHIXTODNQZ-VZCXRCSSSA-N	00000011100011110001100010000000000000000000000000000000	25-01-155393
s1c2c(CCC2)c(c1NC(=O)C1=CC(=C2C(=O)C(=CC(=C2)C)C)NN1)C(=O)NCCc1ccccc1	PC-id_40841488	500.612	RMIKDTZESFFWGY-UHFFFAOYSA-N	00000011100011110001100010000000000000000000000000000000	25-01-155394
CC(C1N(Cc2ccn(c(=O)c2)C)Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL19772207,PC-id_134171027	500.634	MIYZYKMYXNDTIW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-155395
CC(C)[C@H]1c2c(CN1Cc1cc(=O)n(cc1)C)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	PC-id_134166996,SCHEMBL19767336	500.634	MIYZYKMYXNDTIW-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-155396
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1cc[n+](cc1)[O-]	SCHEMBL19767335,PC-id_134166995	500.634	DCCCODPQJJPBNA-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-155397
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccn(c(=O)c1)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368060	500.634	KJOYFHVMYCLTEN-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-155398
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(cc1)C)C(=O)OCC	PC-id_17304532	500.634	UFZBWZPZQYJWCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155399
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C)C(=O)OCC	PC-id_21165193	500.634	ZRQFHEVEUDXOQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155400
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC)C(=O)OCC	PC-id_17302105	500.634	UPKVVLOMSHDAJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155401
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)C)C(=O)OC	PC-id_19732497	500.634	PRXADBJIPJXCGA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155402
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)C)C(=O)OC	PC-id_19732849	500.634	GDSFZYPBBIGPGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155403
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC)C(=O)OCC	PC-id_17302027	500.634	KWWBEVABPHVDPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155404
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC)C(=O)OCC	PC-id_17302863	500.634	FVLVJQQOXLPSEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155405
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC)C(=O)OC	PC-id_17306010	500.634	YEQHVNYBYYXRDP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155406
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)C)C(=O)OC	PC-id_17306283	500.634	BMDKXIJRGCYCDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155407
n12nc(nc1sc(=Cc1cccc(Cl)c1Cl)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6473871821	501.213	OGBQZTAKJLCDMM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155479
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC)C(=O)OC	PC-id_17307685	500.634	IQHSJTABBUUHAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155408
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC)C(=O)OC	PC-id_19635889	500.634	QNNXWJUWNRPYNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155409
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC)C(=O)OC	PC-id_19636582	500.634	QTKAZFZOJNMODO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155410
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)C)C(=O)OC	PC-id_19636812	500.634	YTTSDKOSSWHAGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155411
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)C)C(=O)OC	PC-id_19637168	500.634	ZWFXODLMJNRORI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155412
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)C)C(=O)OC	PC-id_19643597	500.634	MWYHCISUVWSFKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155413
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC)C(=O)OC	PC-id_20128796	500.634	YOARFNXBYNPGKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155414
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC)C(=O)OC	PC-id_21165663	500.634	JTPWYGOUTVOHLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155415
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC)C(=O)OC	PC-id_21165997	500.634	HMNWRFPXYAXTES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155416
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC)C(=O)OC	PC-id_21166306	500.634	RBGJSLGHKAGWPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155417
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)C)C(=O)OCC	PC-id_17304733	500.634	ZYCJYQSWWDOYOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155418
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC)C(=O)OCC	PC-id_17305678	500.634	AOECZTGIVLOPPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155419
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)C)C(=O)OCC	PC-id_17305982	500.634	QFOICEYQUWQPOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155420
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)C)C(=O)OCC	PC-id_19635769	500.634	AYLQYKDGVMEPSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155421
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)C)C(=O)OCC	PC-id_19636478	500.634	FWFNUCYAUYAFJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155422
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)C)C(=O)OCC	PC-id_19643335	500.634	ATRQGRKPQGATPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155423
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)C)C(=O)OCC	PC-id_20128698	500.634	LNLGQZQZZDCJAE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155424
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC)C(=O)OCC	PC-id_21164977	500.634	ABVDRJXALHRPSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155425
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)C)C(=O)OCC	PC-id_21165556	500.634	ULRUJZZDRURULR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155426
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)C)C(=O)OCC	PC-id_21165891	500.634	MAUPKACMKRJCFT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155427
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC)C(=O)OC	PC-id_19632168	500.634	MPLLQIPMMCGGCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155428
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)C)C(=O)OC	PC-id_19638867	500.634	BARCDFSPCMXRKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155429
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)C)C(=O)OCC	PC-id_17266520	500.634	RCOXQFCKGGZPPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155430
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_19632324	500.634	BCPXJBFALMDYAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155431
O=C([C@@H](c1ccccc1)C)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)(C)C	PC-id_11443429,SCHEMBL2927612	500.635	HZNFLOZJYGVZGT-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155432
CCCN(C(CN(C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1ncn(c1)C)C)C)CC1CCOCC1	PC-id_145493495	500.637	OWSDRLGUVKOYNU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155433
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cnc(nc1)N	SCHEMBL19771963,PC-id_134170795	500.637	NFUUOZLNYCGHKL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155434
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1cnc(nc1)N	SCHEMBL18367985	500.637	NFUUOZLNYCGHKL-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155435
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(nn1C)CC	SCHEMBL597960,PC-id_59508219,BindingDB_PC-id_59508219	500.637	ZZSXHBPUUSTVHU-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-155436
O=C(N1C(CN(C(C1)C)CCCOC)C)N1C(c2[nH]nc(NC(=O)c3n(nc(c3)CC)C)c2C1)(C)C	PC-id_72310357	500.637	ZZSXHBPUUSTVHU-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155437
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCCCCO)sc2CCCc2c1C#N	MCULE-4037117636,EMOLS-id_331932437	500.653	DIIJCHWRFYRXDI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155438
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CC(C)O)sc2CCCc2c1C#N	MCULE-5588381299,EMOLS-id_331926813	500.653	QVUTXCKANLASFM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155439
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCCCO)sc2CCCc2c1C#N	MCULE-6173298557,EMOLS-id_331928855	500.653	XOOCGDVZZZSPEW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155440
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CCO)sc2CCCc2c1C#N	MCULE-8852264780,EMOLS-id_331928862	500.653	HQUHSEYHUBGBPN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155441
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCCO)sc2CCCc2c1C#N	MCULE-9252884773,EMOLS-id_331929619	500.653	FCLFXUKDOQGRCE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155442
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCOC)sc2CCCc2c1C#N	EMOLS-id_331920919,MCULE-8909127180	500.653	VOQNFHOOYDVAIS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155443
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCCOC)sc2CCCc2c1C#N	MCULE-6858716553,EMOLS-id_331922460	500.653	QYKFZWOWMZAFEC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155444
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCCOC)sc2CCCc2c1C#N	MCULE-8078722808,EMOLS-id_331920925	500.653	JZPSODBPLFGENS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155445
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331919899,MCULE-7651035606	500.653	ZFORGXDQLVEBKV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155446
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCOC(C)C)sc2CCCc2c1C#N	EMOLS-id_331929622,MCULE-3548403617	500.653	MRHFWLUZRWIZAT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155447
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331919637,MCULE-4405690387	500.653	XMEJLNGBIINHCJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155448
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCCC)sc2CCCc2c1C#N	EMOLS-id_331919641,MCULE-2803126677	500.653	FNZCQDZDYWGAGV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155449
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCCCC)sc2CCCc2c1C#N	MCULE-4660778521,EMOLS-id_331934225	500.653	ZTHOUWYUYAPEKE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155450
CCCCO[C@@H](C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)c1ccccc1	SCHEMBL19537561	500.696	WDBBMKCBTUGRFD-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155451
Cc1cc(C)c(S(=O)(=O)NC2=NCCN2C(=S)SN2CCn3c2nsc3=S)c(C)c1	PC-id_24205589,CHEMBL207540,NSC736206	500.705	HZAXHXGNYROGSU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-155452
CSCCNc1cc(cc(n1)Nc1sc2c(n1)CCC2)SN(c1ccccc1)CCN(C)C	PC-id_144988120	500.746	HERDHLQHRKIMQE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-155453
c1(NC(=O)CCCOc2cc(C)c(c(C)c2Br)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-7972568525,PC-id_19205939	500.834	RBZHFWOQZYJQMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155454
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(Cl)c2)CC)sc2CCCc2c1C#N	MCULE-7622009151,EMOLS-id_332717380	500.973	HQQYZVGAZVJGHA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155455
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)CCl)OC	SCHEMBL15300583,PC-id_89836942	500.973	ITZRAIKXHRRFAP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155456
Clc1ccc(S(=O)(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)cc1	SCHEMBL4282057,PC-id_24752164	501.001	AKRWYYDHILBOIK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155457
Clc1cc(S(=O)(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)ccc1	SCHEMBL4278154,PC-id_24752163	501.001	XMUXIVVHTJQCDS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155458
Clc1c(S(=O)(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)cccc1	PC-id_24752032,SCHEMBL4281394	501.001	IPIQFAJTIQSZNW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155459
Clc1ccc(c2oc(C=CC(=O)NC(=S)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cc1	PC-id_4281002	501.018	QIDXXVQKZRTRRK-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-155460
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CC)n2)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-5927493573,PC-id_18880064	501.019	IOYVQYZMJRDISM-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-155461
Clc1ccc(NC(=O)NC(C(C)(C)C)C(=O)N2CCC(CC2)CN2Cc3n(C2=O)c(nc3)C)cc1	PC-id_23138281	501.021	CWXUDRQQVCEUSE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155462
Clc1ccc(NC(=O)N[C@H](C(C)(C)C)C(=O)N2CCC(CC2)CN2Cc3n(C2=O)c(nc3)C)cc1	PC-id_58858008,SCHEMBL3448422	501.021	CWXUDRQQVCEUSE-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155463
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(C1CCN(CC1)C(=O)OC(C)(C)C)(O)O	PC-id_144988230	501.062	WCFPNBHQUOCJOC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155464
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=CN(N=C4)CCC(F)(F)F	PC-id_164872130	501.109	PIUFDZRBSLFLDD-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155465
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3F)S(=O)(=O)C4=CN(N=C4)CCC(F)(F)F	PC-id_164872219	501.109	PIUFDZRBSLFLDD-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155466
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4F)CC(F)(F)F	PC-id_164872108	501.109	NESNJSOOZRTXFR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155467
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4F)CC(F)(F)F	PC-id_164872118	501.109	NESNJSOOZRTXFR-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155468
Fc1cc(Br)ccc1/C=c/1sc2nc(COc3ccc(Cl)cc3Cl)nn2c1=O	EMOLS-id_324848889	501.156	OYWGNWLPCJULKL-WCSRMQSCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155469
Fc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1Br	EMOLS-id_324845814	501.156	UABRNJUSTVFMTJ-UUASQNMZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155470
n12nc(nc1sc(=Cc1ccc(cc1F)Br)c2=O)COc1ccc(cc1Cl)Cl	MCULE-4074078234	501.156	OYWGNWLPCJULKL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155471
n12nc(nc1sc(=Cc1ccc(F)c(Br)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-5566252390	501.156	UABRNJUSTVFMTJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155472
CC1=C(N2CCCC2=C1C(=O)NC3=CC=C(C=C3)F)C(=O)C(=O)NC4(CC(C4)(F)F)C5=NN[N+](=C5)C	PC-id_164850492	501.186	QGSLIWFSJAYGSN-UHFFFAOYSA-O	00001010100000110001100010000000000000000000000000000000	25-01-155473
Clc1ccc(OCCCc2nc3s/c(=Cc4cccc(Cl)c4Cl)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324918276	501.213	OGBQZTAKJLCDMM-SXGWCWSVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155474
Clc1ccc(OCCCc2nc3s/c(=Cc4ccc(Cl)cc4Cl)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324917763	501.213	QCNQYDFWOPFZHL-IUXPMGMMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155475
Clc1ccc(OCCCc2nc3s/c(=Cc4ccc(Cl)c(Cl)c4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324915716	501.213	BPBDBESSFORQQP-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155476
n12nc(nc1sc(=Cc1ccc(cc1Cl)Cl)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-1203527360	501.213	QCNQYDFWOPFZHL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155477
n12nc(nc1sc(=Cc1ccc(c(Cl)c1)Cl)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-6377941157	501.213	BPBDBESSFORQQP-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155478
C/C=C/C(=O)NC1=CC=C(C=C1)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942100	501.285	IHSSZCIIKBEVQG-PQCQUMGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155480
C/C=C/C(=O)NC1=CC=CC(=C1)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942105	501.285	RCBUNPQZMFIVBR-ZWPAVUJESA-N	00000010100000110001000010000000000000000000000000000000	25-01-155481
CCCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)N5CCN(CC5)CC)N	PC-id_154689188	501.302	WIOYOIJZMGYGAA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155482
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(Br)cc1	PC-id_117588522,ZINC22_256055727	501.353	QWWDCUQCGKWYKA-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155483
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(Br)c1	ZINC22_256055543,PC-id_117588528	501.353	KKSMVHFJRNVFBQ-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155484
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1cccc(Br)c1)c2=O	MCULE-2266185183	501.353	KKSMVHFJRNVFBQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155485
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccc(cc1)Br)c2=O	MCULE-5397686291	501.353	QWWDCUQCGKWYKA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155486
C1Cc2nnc(n2C1C(=O)N1CCN(CC1)c1ncccn1)CNC(=O)c1c(cc(cc1)Cl)Cl	PC-id_134788174	501.368	KPBSUFJJMSWXRF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155487
c1(NC(=O)c2ccc(c(COc3ccc(cc3)Br)c2)OC)sc2c(CCC2)c1C(=O)N	MCULE-2866413482,SPECS-id_AK-968/41172158,ZINC22_651552,TIMTEC35262,PC-id_997597,EMOLS-id_5121261,CoCoCo_5811641	501.393	AFWFHUKWEKDJRV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155488
c1(NC(=O)c2ccc(c(COc3ccccc3Br)c2)OC)sc2c(CCC2)c1C(=O)N	SPECS-id_AK-968/41172091,MCULE-1152978368,TIMTEC113756,ZINC22_651535,EMOLS-id_5121235,CoCoCo_5811523,PC-id_997583	501.393	CYNKWKQVFXAHFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155489
Brc1ccc(cc1)C[n+]1ccc(cc1)[C@H]([C@@H]1Cn2c(C1=O)ccc2)[C@H]1Cn2c(C1=O)ccc2	CoCoCo_4397260	501.394	DVIHQVIDMOODEW-BSRHZMJTSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155490
Brc1ccc(C[n+]2ccc(C(C3C(=O)c4n(ccc4)C3)C3C(=O)c4n(ccc4)C3)cc2)cc1	MCULE-9421782184,PC-id_16314784	501.394	DVIHQVIDMOODEW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155491
O=C1c2cccn2C[C@H]1C(c1cc[n+](Cc2ccc(Br)cc2)cc1)[C@@H]1Cn2cccc2C1=O	CoCoCo_4397259,PC-id_25715226,ZINC22_13114532	501.394	DVIHQVIDMOODEW-VXKWHMMOSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155492
O=C1c2cccn2C[C@@H]1C(c1cc[n+](Cc2ccc(Br)cc2)cc1)[C@H]1Cn2cccc2C1=O	CoCoCo_4397262,PC-id_25715228,ZINC22_13114535	501.394	DVIHQVIDMOODEW-FGZHOGPDSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155493
O=C1c2cccn2C[C@@H]1C(c1cc[n+](Cc2ccc(Br)cc2)cc1)[C@@H]1Cn2cccc2C1=O	PC-id_25715227,ZINC22_13114534	501.394	DVIHQVIDMOODEW-OFFJZUQKSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155494
O=C1c2cccn2C[C@@H]1[C@@H](c1cc[n+](Cc2ccc(Br)cc2)cc1)[C@@H]1Cn2cccc2C1=O	ZINC22_245241451,CoCoCo_4397261,GD-id_ZINC13114534	501.394	DVIHQVIDMOODEW-BRTYFSMRSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155495
Brc1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc1	PC-id_44053546	501.396	HIKWRUQTFFFZMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155496
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)ccc1	PC-id_44053545	501.396	USQFRTFVGFELLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155497
Brc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cccc1	PC-id_44053544	501.396	LHOHTLYYGKETPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155498
CCOC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408615041	501.414	LEGRNPSGJKFGCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155499
CCOC(=O)c1c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408617811	501.414	DGGLTMDCGOQOGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155500
CCOC(=O)c1c(NC(=O)CN(c2ccccc2Br)S(=O)(=O)C)sc2c1CCC2	ZINC22_408608688	501.414	ONMHFVDOUFGQLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155501
COC(=O)c1c(NC(=O)CN(c2ccc(Br)c(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616792	501.414	CCHXOBNPZLRFKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155502
Clc1ccc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(Cl)cc3)CC2)cc1	PC-id_16947475	501.428	RUPJVMVOARUHNN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155503
Clc1cc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(Cl)cc3)CC2)ccc1	PC-id_16947350	501.428	HWMSAHOFFXNEIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155504
Clc1c(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3ccc(Cl)cc3)CC2)cccc1	PC-id_16947349	501.428	DVGLSZJSAYEZCE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155505
c1(NC(=S)NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_19188483,MCULE-3749456107	501.446	VPKQOUWLFXAVLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155506
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)c2CCCn12	BindingDB-id_980731,SCHEMBL21378240,PC-id_139507382	501.458	WKNMRGXVCVCANO-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-155507
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)n2CCCc12	PC-id_134285281,BindingDB-id_799341,SCHEMBL19901006	501.458	KXXCYQJSDKKQTR-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-155508
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)N(C)C	SCHEMBL18739969	501.501	HLHDTLYPYQLBIJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155509
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)N(C)C	SCHEMBL18739967	501.501	HLHDTLYPYQLBIJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155510
COC(=O)c1ccc(cc1)[C@@H](N(C(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C)N)C	SCHEMBL18758575	501.501	VUOHMONZBUSSAX-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155511
FC(F)(F)c1ccc(c2ccc(CN3CCN(C[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)cc2)cc1	PC-id_10097539,SCHEMBL5541376	501.501	VVIPVTJEVUGSRO-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155512
FC(F)(F)c1ccc(c2ccc(CN3CCN(CC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)cc2)cc1	PC-id_11755748,SCHEMBL5537837	501.501	VVIPVTJEVUGSRO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155513
FC(F)(F)c1ccc(c2ccc(CN3CCN(C[C@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)cc2)cc1	SCHEMBL5537830,PC-id_10391300	501.501	VVIPVTJEVUGSRO-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-155514
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)N(C)C)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740205	501.501	HFMRGFYRDGOFSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155515
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)N(C)C)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740203	501.501	HFMRGFYRDGOFSK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155516
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)CN1CCN(CC1)Cc1ccc(c(c1)C(F)(F)F)c1ccccc1	PC-id_141619665	501.501	MKZVKONXLLAEPV-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155517
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)Oc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333680628,MCULE-4222789086	501.514	BFKUVIFGHVZUEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155518
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-7111044800	501.529	NDOFSZPQXDWBEX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155519
CCOc1cc(/C=c/2sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N)cc1	PC-id_117588554,ZINC22_256055845	501.535	WHGPQLRAGPFXNG-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155520
n12ncnc1sc(=Cc1ccc(c(OCC)c1)OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O	MCULE-7274372046	501.535	WHGPQLRAGPFXNG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155521
CN1CCN(CC1)c1c(cc(cc1)C(=O)Nc1nn(c2c1CN(C2)C(=O)O)C(=O)O)N(C)CCOC	PC-id_91506249	501.536	JJSQOXOYLIERIQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155522
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)N1CCC(CC1)F	SCHEMBL2923195,PC-id_21874003	501.55	GOSAJKHDHLKIEH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155523
c1(C(CC(=O)NCc2cn3c(SCC3)n2)c2ccc(c(OC)c2OC)OC)c(O)cc(oc1=O)C	EMOLS-id_93422400,MCULE-2148613224,STOCK7S-55813,PC-id_121239605	501.552	HROZHPKUSWKYAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155524
COc1ccc([C@H](CC(=O)NCc2cn3c(n2)SCC3)c2c(O)cc(C)oc2=O)c(OC)c1OC	ZINC22_263587520	501.552	HROZHPKUSWKYAC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155525
COc1ccc([C@@H](CC(=O)NCc2cn3c(n2)SCC3)c2c(O)cc(C)oc2=O)c(OC)c1OC	ZINC22_263587521	501.552	HROZHPKUSWKYAC-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155526
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CO)COC1)C	PC-id_118368916,SCHEMBL18730002	501.552	QGTKDMMJRFPLLC-HSZRJFAPSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155527
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CO)COC1)C	SCHEMBL18730004	501.552	QGTKDMMJRFPLLC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155528
COc1ccccc1OCc1nc2s/c(=Cc3ccc(OCc4ccccc4)c(OC)c3)/c(=O)n2n1	EMOLS-id_324870658	501.554	WPBOVQNIKPKDTE-IWIPYMOSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155529
COc1cccc(OCc2nc3s/c(=Cc4ccc(OCc5ccccc5)c(OC)c4)/c(=O)n3n2)c1	EMOLS-id_324876804	501.554	DHPVXGVCDHJFCM-OYKKKHCWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155530
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1ccccc1OC	MCULE-1293060961	501.554	WPBOVQNIKPKDTE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155531
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1cccc(OC)c1	MCULE-1276252752	501.554	DHPVXGVCDHJFCM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155532
CC1(c2c(CN1C(=O)Nc1c(cccc1F)OC(F)F)c(n[nH]2)NC(=O)C(C)(C)S(C)(C)C)C	PC-id_135195473,SCHEMBL20348605	501.566	NTTSSTWMVMBZLR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155533
CC#C[C@@H](CC(=O)O)c1ccc(cc1)OCc1cccc(c1)CN1Cc2c(C1OC=O)cnn2C(C)C	SCHEMBL20341596,PC-id_135189293	501.574	RWTPRSJVUNACJD-CTLOQAHHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155534
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)CNS(=O)[O-])OC	PC-id_89836973	501.574	ZVPTZLWWOQSCGS-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-155535
CCC(OC(=O)NC1CCN(CC1)Cc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(C)C	SCHEMBL2097656,PC-id_67275998	501.575	CVICQKYSMYBRGW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155536
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1ccc(cc1)N1CCOCC1)C(=O)O	PC-id_90917817	501.575	RSVZFXHBNYRXBD-UHFFFAOYSA-O	00000011100010110001100010000000000000000000000000000000	25-01-155537
CN(C(=O)OC(C)(C)C)C1CCN(CC1)Cc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL2097657,PC-id_67275999	501.575	PPLMUBBHOPJNBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155538
O=CNc1cc(ccc1/C(=C(c1ccccc1)/Nc1cc2c([nH]1)CCN2C(=O)CN(C)C)/C)C(=O)OC	PC-id_144637208	501.577	BDTPIPWKIWTRAP-OVVQPSECSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155539
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_57316653,PC-id_17334739	501.579	MCXJNUFMUWMLMB-FNORWQNLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155540
s1c2c(CCC2)c(c1NC(=S)NC(=O)C=Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1)C(=O)N	PC-id_73382746	501.579	MCXJNUFMUWMLMB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155541
O=C1N(CCC1)c1ccc(C(C(=O)Nc2n[nH]c3c2CN(NC(=O)NC(c2ccccc2)C)C3)C)cc1	SCHEMBL2925339,PC-id_68443198	501.58	POKDLNFGWNKBKZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155542
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331791798,MCULE-4137923613	501.582	XDTAKGVBMRALBF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155543
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCCO)sc2CCCc2c1C#N	MCULE-3336989361,EMOLS-id_331788473	501.582	HOCXYMCDJVUROV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155544
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCOC)sc2CCCc2c1C#N	EMOLS-id_331787710,MCULE-4341441013	501.582	MNSZGWDXUUFKSR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155545
CC1(c2c(CN1C(=O)N(C)C(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1ccccc1)CN=[N+]=[N-]	PC-id_89803995	501.583	LZGWNBQRLPBCLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155546
[N-]=[N+]=NCC1(C)N(Cc2c1[nH]nc2NC(=O)c1ccccc1)C(=O)N([C@@H](c1ccccc1)CN(C)C)C	SCHEMBL15256593	501.583	LZGWNBQRLPBCLX-OSMGYRLQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155547
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OCCCCC)C(=O)OC	MCULE-8879268254,PC-id_73550589	501.592	VHVWANHWKKRWEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155548
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OCCC(C)C)C(=O)OC	PC-id_73568435,MCULE-8231207172	501.592	PBVWDXBCNXHGFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155549
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OCC)c1)OCCCC)C(=O)OC	PC-id_73574216,MCULE-6022824567	501.592	KTNNFOBMLNFVRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155550
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OCC)c(OCCCC)cc1)C(=O)OC	PC-id_19236812	501.592	KTNNFOBMLNFVRD-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155551
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OC)c(OCCCCC)cc1)C(=O)OC	PC-id_19171157	501.592	VHVWANHWKKRWEM-UKTHLTGXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155552
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OC)c(OCCC(C)C)cc1)C(=O)OC	PC-id_19202145	501.592	PBVWDXBCNXHGFH-YRNVUSSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155553
CCOC(c1ccc(cc1)C#Cc1cc2n(c1)C(=O)N(C2)CC[C@@](S(=O)(=O)C)(C(=O)NO)C)(C)C	PC-id_118368903,SCHEMBL18730060	501.595	RABXPGQUJLMHHP-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-155554
CCOC(c1ccc(cc1)C#Cc1cc2n(c1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)NO)C)(C)C	SCHEMBL18729899	501.595	RABXPGQUJLMHHP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155555
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CCO)sc2CCCc2c1C#N	EMOLS-id_331928350,MCULE-3603443225	501.598	UIAHTGNKPCSPLV-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155556
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331930396,MCULE-8334324571	501.598	FEFSYVCPIOSYLL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155557
n12c(=O)c(=Cc3cccc(c3)OCc3ccccc3)sc1nc(C(c1ccccc1)c1ccccc1)n2	MCULE-1029291873	501.598	YTPKHVOQXXEELV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155558
O=c1n2nc(nc2s/c/1=Cc1cccc(OCc2ccccc2)c1)C(c1ccccc1)c1ccccc1	EMOLS-id_324822013	501.598	YTPKHVOQXXEELV-OOAXWGSJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155559
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4CCCc4n3Cc3ccccc3)cc2)n1	EMOLS-id_328220023,MCULE-7849201204	501.6	DOPOCDMKMRGVEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155560
CCC1OC=C(N1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	PC-id_69759142,SCHEMBL6378771	501.622	VOJNLZVUSHQQNW-DJZRFWRSSA-N	00000011100010000001000010000000000000000000000000000000	25-01-155561
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1oc(nc1C)CC	SCHEMBL597624,PC-id_59508291,BindingDB_PC-id_59508291	501.622	BVCWXTJEBADDSC-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155562
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)Cc1c(C)noc1C	PC-id_59508156,SCHEMBL596208,BindingDB_PC-id_59508156	501.622	WOOBVWQSSAVTGO-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155563
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)C4=COC(N4)CC)c3C2)(C)C)C)CC1	PC-id_77708933	501.622	VOJNLZVUSHQQNW-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-155564
O=C(N1C(CN(C(C1)C)CCCOC)C)N1C(c2[nH]nc(NC(=O)c3oc(nc3C)CC)c2C1)(C)C	PC-id_72310424	501.622	BVCWXTJEBADDSC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155565
O=C(N1C(CN(C(C1)C)CCCOC)C)N1C(c2[nH]nc(NC(=O)Cc3c(onc3C)C)c2C1)(C)C	PC-id_72310297	501.622	WOOBVWQSSAVTGO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155566
CCc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1985408,PC-id_24768615	501.623	QIUNLMQFEQIZLT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155567
CCc1cccc(c1NC(=O)n1cc2c(c1)[C@@H](NN2)NC(=O)c1ccc(cc1)N1CCN(CC1)C)CC	PC-id_119076182	501.623	SAOQDHPIOQVOCT-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155568
CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1	CHEMBL363160,SCHEMBL12582821,BindingDB-id_21836,EMOLS-id_32176605,PC-id_11249084,PD011187,MCULE-3702625049,ZINC22_6718665,SPECS-id_AT-229/JK30618,BindingDB_PC-id_11249084	501.623	OBWNXGOQPLDDPS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155569
CCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C(CNC(=O)CCCOc1ccccc1)C)C)CC	PC-id_102010493	501.623	HPNMRPZBWLYBKL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-155570
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1c(C)cccc1C	PC-id_24947510,SCHEMBL1982354	501.623	AWYIVSLYXQTMFZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155571
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1cc(C)ccc1C	SCHEMBL3484541,PC-id_24947324	501.623	SFSWQGPGXVCZIG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155572
O=C(NC1NNc2c1cn(c2)C(=O)Nc1c(CC)cccc1CC)c1ccc(N2CCN(CC2)C)cc1	PC-id_72199315	501.623	SAOQDHPIOQVOCT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155573
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)CCc1ccc(cc1)c1ccccc1)C(=O)O	PC-id_135200284,SCHEMBL20353860	501.636	JGSPAWDSDVBGSO-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-155574
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(ccc1)F	SCHEMBL19772130,PC-id_134170957	501.637	RSQAWZOFULODOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155575
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)F	SCHEMBL19772148,PC-id_134170973	501.637	SPNBWNYEDOMQNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155576
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cccc(c1)F	SCHEMBL18368110	501.637	RSQAWZOFULODOI-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-155577
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)F	SCHEMBL18377843	501.637	SPNBWNYEDOMQNU-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-155578
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(F)cc4)Cc3s2)cc1	BindingDB_PC-id_145713307,PC-id_145713307,BindingDB-id_722733	501.637	SPNBWNYEDOMQNU-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155579
c1(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329767,MCULE-4980385230	501.64	NAJDQEWCELJKAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155580
s1c2CCCc2c(c1NC(=O)COc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1)C#N	PC-id_1662800	501.64	HLYHGICCEDSIMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155581
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331930645,MCULE-1053897412	501.641	LTDPQVRQBHALNE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155582
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCN(CC)CC)sc2CCCc2c1C#N	MCULE-3448388654,EMOLS-id_331928338	501.641	HIWOJDOLVSDUKR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155583
c1(NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2C)sc2c(CCC2)c1C(=O)OC	TIMTEC162057,CoCoCo_6825306,MCULE-1673350562,EMOLS-id_4173030,PC-id_17378155,ZINC22_20418918	501.641	GALVJSZVODVDGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155584
COC(=O)C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19312216	501.641	FDPYFVZOQVDWBY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155585
O[C@H]1[C@@H](n2nnc(c2[C@H]1O)COCc1ccc(OC)cc1)CCCCCCCCCCCCCCC	PC-id_56652824	501.701	HLGYTFQBKYPPFD-PIZZNKLWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155604
COC(=O)[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537497	501.641	FDPYFVZOQVDWBY-SFHVURJKSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155586
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1)C(=O)OC	PC-id_20181228	501.641	NZHIHTFAIMTXCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155587
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1csc(n1)C)CC1CCOCC1	SCHEMBL6378767,PC-id_59508271	501.645	RKSIPXXWDSZJBI-HNNXBMFYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155588
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CS(=O)(=O)c1ccc(cc1)C)CC)C#N	PC-id_23407437	501.645	IQHUTYAGNMKSBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155589
s1cc(nc1C)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)N1C(CN(CC2CCOCC2)CC1)C)(C)C	PC-id_72310405	501.645	RKSIPXXWDSZJBI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155590
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CC2CCCO2)sc2CCCc2c1C#N	MCULE-7864277310,EMOLS-id_331791537	501.661	NHCIPCADALRJEW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155591
CC1(CC(C(N1S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2)(C)C)NC(=O)C=C)C	PC-id_89237680,SCHEMBL14056321	501.661	LOXLHSJYZPGRMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155592
CCOC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537129	501.685	MPZDFDWJUUDSBD-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155593
CN(CC(C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)Oc1ccccc1)C	SCHEMBL19312163	501.685	HFJLMANGFZGZKW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155594
COCCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_145072800	501.685	BUNHJOJOBHTVNC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155595
COCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537471	501.685	BUNHJOJOBHTVNC-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155596
OCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)(C)C	SCHEMBL19537487	501.685	PMOLBRNXIZOZQA-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-155597
OCCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537526	501.685	YWSUEQHHIVPWES-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155598
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)N[C@@H](c1ccccc1)CC(O)(C)C	SCHEMBL19537139	501.685	DCNNZVVMYCOSAU-LJQANCHMSA-N	00100010100000110001000010000000000000000000000000000000	25-01-155599
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)N[C@H](C(O)(C)C)c1ccccc1	SCHEMBL19536302	501.685	PTVDFKCZOZCOOU-IBGZPJMESA-N	00001010100000110001000010000000000000000000000000000000	25-01-155600
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1cccc(c1)c1ccccc1	PC-id_140883010	501.695	RWXOMBSJIAMSQW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155601
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1c1ccccc1	PC-id_140883042	501.695	WRLWIZXWIFTEKO-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155602
OC1C(n2nnc(c2C1O)COCc1ccc(OC)cc1)CCCCCCCCCCCCCCC	PC-id_76387409	501.701	HLGYTFQBKYPPFD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155603
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCCCCCC)sc2CCCc2c1C#N	EMOLS-id_331788982,MCULE-4165092695	501.704	GTKYZXVCKJSQEU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155605
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCCCC)sc2CCCc2c1C#N	MCULE-2619475522,EMOLS-id_331791293	501.704	FVVOLSRHTMOPIE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155606
COC(=O)c1c2CCCc2c(s1)C(=O)CC(c1cc(c(c(c1)Cl)Cl)Cl)(C(F)(F)F)O	PC-id_89216326,SCHEMBL13976738	501.731	PNTQBDCECZFHCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155607
Brc1c(OCc2c(Cl)cccc2)c(OC)cc(C=Nc2sc3CCCc3c2C#N)c1	PC-id_50885972	501.823	NRUARJGSJMYHQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155608
C[C@H](c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1cnc2n1CC(N2)O	PC-id_136423175,SCHEMBL10233609	501.87	WVSHIFLPDRQIGD-KMPCPTCDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-155609
c1(NC(=O)COc2nonc2CC(=O)NCC(O)c2ccc(cc2)Cl)sc2CCCc2c1C#N	MCULE-5266384392,EMOLS-id_333686865	501.943	JQEBUGYQUFNMFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155610
Clc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)c([N+](=O)[O-])cc1	PC-id_44053559	501.943	FDSLMIMTAORFSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155611
Clc1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc([N+](=O)[O-])cc1	PC-id_44053560	501.943	OJKZUMPPLCCVJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155612
Clc1c([N+](=O)[O-])cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc1	PC-id_44053561	501.943	IUCHVKKTOYXQIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155613
Clc1c(N2CCCC2=O)cc(F)cc1S(=O)(=O)NC(C(=O)N1Cc2sc(nc2C1)C)CN	PC-id_77892497	501.983	ZUBLWWJBSXEONN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155614
Clc1c(N2CCCC2=O)cc(F)cc1S(=O)(=O)N[C@H](C(=O)N1Cc2sc(nc2C1)C)CN	PC-id_70662391,SCHEMBL12095991	501.983	ZUBLWWJBSXEONN-LBPRGKRZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155615
Clc1sc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_4229254	501.984	GDJBQBCOEWNWDA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-155616
COc1cc(/C=c/2sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)ccc1OCc1ccccc1	ZINC22_16735262,EMOLS-id_45966193	501.984	ZDSDHZFLMVOOSY-ZOOSRWFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155617
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)C=Cc1ccc(cc1)Cl	MCULE-5266403692	501.984	ZDSDHZFLMVOOSY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155618
Clc1c(c2noc(c2C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)C)cccc1	PC-id_44053092	501.986	KOJSJBMMIAOXLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155619
OCCn1c(=O)c2c(n1C)NC(N2Cc1ccc(cc1)Cl)OCCOc1cccc(c1)CN(C)C	SCHEMBL18834319	502.006	OLWRVXQAXVHKND-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155620
Clc1ccc(c2oc(nc2)CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCCCOCC)cc1	PC-id_52088489	502.026	YSMOGRDGGRKNFD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155621
C=N/C(=CC(=C(Cl)/C)c1cnn2c1CC(C2)(C)C)/NC(=O)[C@H]1CCC[C@H](C1)NC(=O)C1COCC1	SCHEMBL19719178	502.049	FEWICOBZWPNOEW-NMOQLABDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155622
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(OC(=O)c1ccncc1)C)C	PC-id_78141313	502.154	WTWATVPCXSXBIB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155623
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)[C@H](OC(=O)c1ccncc1)C)C	PC-id_71658438,4028123_OpenMolecule,CT-id_4028123	502.154	WTWATVPCXSXBIB-PZKJLGDBSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155624
Cc1c(n2CCCc2c1C(=O)C(=O)N[C@](C)(C(=O)NC)C(F)(F)F)C(=O)NC1=CCC(C(=C1)F)F	PC-id_163633686	502.164	HYGQRMPYTIGRCW-BLXYSHDZSA-N	00000010100011000000000010000000000000000000000000000000	25-01-155625
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)CC4(CCC(CC4)C(=O)O)C)F	PC-id_165105875	502.167	IMTOHXOIDVEUSZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-155626
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)OC(F)(F)F	PC-id_160069362	502.183	FGRVGXUTPWYWST-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155627
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=CC(=C5)Cl)F	PC-id_151236385	502.215	NPJCKLAEUABXQW-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155628
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)Cl)F	PC-id_151316250	502.215	OFMDZXSPVZWZKJ-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155629
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC(=C5)Cl)F	PC-id_151346165	502.215	OLMUWOGACLUQTC-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155630
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)Cl)F	PC-id_151652563	502.215	QUUVEQMGCHRKEI-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155631
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)F)Cl	PC-id_147505565	502.215	FIGMMARGVYJDBU-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155632
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)F)Cl	PC-id_150993697	502.215	LSQINGKINZUSMT-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155633
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)F)Cl	PC-id_151147985	502.215	MXPNSZXJEJKTHV-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155634
CC(C)(C)C1=NN(C(=C1)NC2=C(C(=CC(=C2)O)O)C(=O)N3CC4=C(C3)NN=C4)CC5=CC=C(C=C5)OC	PC-id_164607517	502.233	FKUSNWOKNNHXGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155635
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(nc(cc1)Cl)Cl)C	PC-id_87235245,SCHEMBL1371990	502.322	DXNUGBXHBHWAMQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-155636
Brc1cccc(NC(=O)Cc2nonc2OCC(=O)Nc2sc3CCCc3c2C#N)c1	MCULE-9248866747,EMOLS-id_333649552	502.341	BWVGOELJEIXPEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155637
Brc1ccc(NC(=O)Cc2nonc2OCC(=O)Nc2sc3CCCc3c2C#N)cc1	MCULE-4549078262,EMOLS-id_333644703	502.341	GPDORLLDCYUDPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155638
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(Br)cc2C)sc2CCCc2c1C#N	MCULE-7041728685,EMOLS-id_333678840	502.341	JRMWICYXNHJGMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155639
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(Br)c(C)c2)sc2CCCc2c1C#N	EMOLS-id_333676790,MCULE-9046645930	502.341	GCJDIQOMVDJERN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155640
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4c(c(ccc4)C(=O)O)C)c3C2)(C)C)c(Cl)ccc1	PC-id_67236883,SCHEMBL1983261	502.35	FEYPJZSKTLQNMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155641
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(ccc4)C(=O)OC)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1983262,PC-id_24947888	502.35	MIPUDNUDPNOZQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155642
Brc1ccc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)cc1	PC-id_16948043	502.381	NTSUTKOWIBHUBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155643
Brc1cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)ccc1	PC-id_16948042	502.381	GCVXKUKXSPDNKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155644
N#Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)sc2c1CCC2	EMOLS-id_48981729,PC-id_2421236,MCULE-5278021283,ZINC22_3305524,CoCoCo_3777245	502.404	MEIZMRBBWRHUTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155645
Brc1cc(ccc1)C=NNc1nc(SCC(=O)Nc2sc3CCCc3c2C#N)n[nH]1	PC-id_28947123,MCULE-9931906185	502.411	VWQJZHMBMHEGMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155646
Brc1cc(ccc1)/C=N/Nc1nc(SCC(=O)Nc2sc3CCCc3c2C#N)n[nH]1	SPECS-id_AN-153/I181417,PC-id_17368809,GD-id_ZINC20436754	502.411	VWQJZHMBMHEGMT-LSFURLLWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155647
CC(c1ccc(cc1)C(=O)[O-])NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)[N+](=O)[O-]	SCHEMBL18740015	502.423	JKMHOPQJVIRZAZ-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-155648
c1(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1746149402,EMOLS-id_334338733	502.429	PHLCMARXYODHOI-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-155649
c1(NC(=S)NNC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	CoCoCo_989825,MCULE-1218290464,PC-id_2954534,EMOLS-id_2469014,TIMTEC44372	502.434	AJWLBHQWYZVBBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155650
Brc1ccc(C2(O)CCN(CC2)CCN2C(=O)c3c(c(n(c3C)CCCC)C)C2=O)cc1	PC-id_24848841	502.444	XHJMVKUMDJINIO-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-155651
Cc1c(C(=O)C(=O)NC2(CC2)c2cnn[nH]2)c2CCCn2c1C(=O)Nc1cccc(OC(F)(F)F)c1	SCHEMBL19900976,PC-id_134285255,BindingDB-id_799391	502.446	BDBDSJRETVCJHX-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155652
FC(F)(c1nn2c(C(C(=C2/C=C/c2ccc(OC)cc2)C)(C)C)c1C(=O)c1ccccc1)C(F)(F)F	PC-id_16080295	502.476	XMXPCOHAMSGOEM-NTCAYCPXSA-N	00000011100000110001000010000000000000000000000000000000	25-01-155653
FC(F)(c1nn2c(C(C(=C2C=Cc2ccc(OC)cc2)C)(C)C)c1C(=O)c1ccccc1)C(F)(F)F	PC-id_73235538	502.476	XMXPCOHAMSGOEM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-155654
s1c2c(CCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(=O)OC	PC-id_20171297	502.481	RYPLUQHGJYYTAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155655
Brc1c2n(CCC2C(=O)OCCCCCCCCCCCC)c(c1)C(=O)c1ccccc1	PC-id_20404977,SCHEMBL11002681	502.484	AUJBUEPBBGUBCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155656
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)CO	PC-id_135360591,SCHEMBL20538947	502.486	RBEOKJHZKLVMDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155657
COc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758517	502.486	OCUHVEYSYGXDIH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155658
COc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758556	502.486	ZYSASKZTYKHDOE-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155659
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CO)C	SCHEMBL18758455	502.486	RBEOKJHZKLVMDY-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155660
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(CO)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758650	502.486	NRNHTHYQVYGOEJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155661
COC(=O)c1ccc(cc1)C(NC(=O)c1c(CO)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758647	502.486	NRNHTHYQVYGOEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155662
Fc1ccc(cc1)NC(=O)c1c(C)c(n2c1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C1=CNNN1C	SCHEMBL21398366,PC-id_139525078	502.489	LPCYCGMEXYNDNY-UHFFFAOYSA-N	00001011100000110001100010000000000000000000000000000000	25-01-155663
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3421584004	502.499	RNCWFKNFAXQYFE-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155664
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8306829769	502.499	VPBXUQAWCCQXDL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155665
c1(NC(=O)CSc2nc(c3ccc(cc3)F)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C#N	SPECS-id_AM-807/14147811,MCULE-2433364069,CoCoCo_6930165,STOCK3S-00041,PC-id_1005210,ZINC22_663399,EMOLS-id_4473702	502.507	CYGLBGHEHXDRRO-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-155666
CCOc1cc(ccc1OC(F)F)C(N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CS(=O)(=O)C	PC-id_66788810,SCHEMBL751398	502.509	JLMBGCVGCWPKHB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155667
c1(NC(=O)COc2nonc2C(=O)NCc2ccc(cc2)S(=O)(=O)N)sc2CCCc2c1C#N	MCULE-3914303630,EMOLS-id_333715516	502.524	QIMAPSXXUHKPDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155668
O=C(NC(C(c1n2N=C(C(C)(C)C)/C(=N/Nc3nc([nH]n3)C(=O)O)/c2nn1)(C)C)(C)C)CCC(=O)O	PC-id_21032606	502.527	LSUFMFSTUQELCS-MSXFZWOLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-155669
O=C(NC(C(c1n2N=C(C(C)(C)C)C(=NNc3nc([nH]n3)C(=O)O)c2nn1)(C)C)(C)C)CCC(=O)O	PC-id_58650665	502.527	LSUFMFSTUQELCS-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-155670
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(c(c1)F)F	PC-id_24752593,SCHEMBL4280719	502.537	HCKKUKXFTFSTAL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155671
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cc(F)ccc1F	PC-id_24752592,SCHEMBL4279109	502.537	XRMQCRRULXXUCB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155672
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_24752734,SCHEMBL15327647	502.537	IGKVBHFHQUURDF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155673
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CNC2S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL4279168,PC-id_68984170	502.537	PZMBAJIPAWOSAQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155674
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1c(F)cccc1F	PC-id_24752591,SCHEMBL4283509	502.537	WMLVMZOJBHZYMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155675
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCC(=O)N)cc1)C(=O)OCC	PC-id_19660604	502.54	MYNRGGBUVDJBQV-OPEKNORGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155676
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCC(=O)N)cc1)C(=O)OCC	PC-id_73635058	502.54	MYNRGGBUVDJBQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155677
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCC(=O)N)cc1)C)C(=O)OCC	PC-id_4047949	502.54	KXOUQUGNNJHGRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155678
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCC(=O)N)cc1)C)C(=O)OCC	PC-id_9643978	502.54	KXOUQUGNNJHGRR-RPPGKUMJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155679
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1c(cc(cc1F)C#N)F	SCHEMBL19772196,PC-id_134171016	502.557	YTTFPXFXVBNZIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155680
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)C1(CN(C1)C)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484936,PC-id_135315453	502.558	JTNOFACUOIJELF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155681
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC(C1)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484803,PC-id_135315345	502.558	MPLUZRSVHCGGSM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155682
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(F)CN(C1)C)C	SCHEMBL18587760	502.558	JTNOFACUOIJELF-HSZRJFAPSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155683
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CC(C1)F)C	SCHEMBL20484802	502.558	MPLUZRSVHCGGSM-XMMPIXPASA-N	00001010100000110001000010000000000000000000000000000000	25-01-155684
CC(C(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2)c1ccc(C(=O)c2ccccc2)cc1	PC-id_45112546,CHEMBL575570	502.563	AYNLWYUCALBEQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155685
s1c2CC(Cc2cc1C(=O)Nc1cc(C2=C/C(=N/c3n[nH]c(C4CC4)c3)/C(=O)N=N2)ccc1F)(C)C	PC-id_75153522	502.563	KQLOAFCDVAWLPT-RRAHZORUSA-N	00100010100011110001100010000000000000000000000000000000	25-01-155686
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)c1ccccc1	PC-id_71654957	502.565	MMXHDMSTRUKHPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155687
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(CNC(C)C)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524036	502.577	ZTOTYABSVMUODQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155688
CCOC(=O)c1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408614722	502.578	GVLKCUOTTZSTPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155689
CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC22_408607451	502.578	MJZRWUDLAVDDFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155690
CCOC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408630967	502.578	YPLGJRPAIQMEOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155691
COC(=O)c1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408606688	502.578	LNRMPHDFTAMUBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155692
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC22_408616103	502.578	VUYNMGFDJDAWEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155693
COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408616448	502.578	GKRMLCPJYMMJFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155694
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)CNS(=O)O)OC	PC-id_89836974	502.582	ZVPTZLWWOQSCGS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155695
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(sc2)CNS(=O)=O)CS(=O)(=O)C	SCHEMBL15300622	502.582	YAUKDBHMBHVHFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155696
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(sc2)NS(=O)(=O)C)CS(=O)(=O)C	PC-id_141237101	502.582	LZTHKZPHHWOGMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155697
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)CC=C)C(=O)OC	PC-id_19633731	502.582	JPFQZVKUVDFOGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155698
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331929369,MCULE-9460656158	502.583	KCAISVADFMHYNV-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155699
C[C@@](CCN1Cc2cc(C#CC#CC3CCN(C4COC4)CC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4586418,SCHEMBL18588136	502.583	OTBPGCNCYNAOKJ-XMMPIXPASA-N	00001010100010000001100010000000000000000000000000000000	25-01-155700
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)N)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315455,SCHEMBL20484938	502.583	RAJFZSJZNIVWAJ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-155701
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)N)(C(=O)NO[C@@H]1CCCCO1)S(=O)(=O)C	SCHEMBL20484937,PC-id_135315454	502.583	RAJFZSJZNIVWAJ-PPUHSXQSSA-N	00100010100010000001000010000000000000000000000000000000	25-01-155702
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CCN(CC1)C1COC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484621,PC-id_135315186	502.583	OTBPGCNCYNAOKJ-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-155703
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CCOCC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485297,PC-id_135315770	502.583	XDSMTBVUGXACJY-XMMPIXPASA-N	00001010100010000001100010000000000000000000000000000000	25-01-155704
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CNC1)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315418,SCHEMBL20484892	502.583	YUWQQDZFJDOPOF-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-155705
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@H]1CN1CCOCC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484897,PC-id_135315421	502.583	ZYTNHXOCGBUAFG-JXALWOEJSA-N	00100010100010000001000010000000000000000000000000000000	25-01-155706
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@H]1CN1CCOCC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484899,PC-id_135315423	502.583	ZYTNHXOCGBUAFG-HVUWCZLESA-N	00100010100010000001000010000000000000000000000000000000	25-01-155707
O=C([C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CNC1)C)NOC1CCCCO1	SCHEMBL18588139	502.583	YUWQQDZFJDOPOF-MQNHUJCZSA-N	00001010100010000001000010000000000000000000000000000000	25-01-155708
O=C([C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(N)CC1)C)NOC1CCCCO1	SCHEMBL18588141	502.583	RAJFZSJZNIVWAJ-GWQXNCQPSA-N	00100010100010000001000010000000000000000000000000000000	25-01-155709
O=C([C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(N)CC1)C)NO[C@@H]1CCCCO1	SCHEMBL18588140	502.583	RAJFZSJZNIVWAJ-NFBKMPQASA-N	00100010100010000001000010000000000000000000000000000000	25-01-155710
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)C1CCOCC1)C	SCHEMBL20485298	502.583	XDSMTBVUGXACJY-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-155711
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC(=O)NCC2OCCC2)C1	PC-id_44053071	502.583	GCPYRUWGVVVOPF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155712
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_24223400,MCULE-6807869450	502.603	IJIBMWSKNSQMFN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-155713
COCC(Oc1cc(Oc2ccc(cc2)S(=O)(=O)C)cc(c1)C(=O)Nc1sc2c(n1)CCC2)C	PC-id_122417311,SCHEMBL17933905	502.603	ZZVUHZHFBQHPIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155714
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)sc2c1CCC2	EMOLS-id_43689154,PC-id_4033736,MCULE-7003260877,CoCoCo_2818204,ZINC22_12529078	502.603	GKOXDDMJBCAXFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155715
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCC2	PC-id_17113758,ZINC22_8833017	502.606	TZACPXSNBXVSMX-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-155716
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19725958	502.606	ZYJDVAIEBQOCMD-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-155717
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1occc1)C(=O)OCC	PC-id_19724059	502.606	DGXGEHHINBLZPB-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-155718
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(OC)cc1)C(=O)OC	PC-id_17305313	502.606	RRECXXUWINIQIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155719
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC)C(=O)OC	PC-id_19730981	502.606	LVKRWMNBLJQIBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155720
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)C)C(=O)OCC	PC-id_19730901	502.606	IMXIEWLZZHYNAS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155721
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)C)C(=O)OC	PC-id_19640092	502.606	XYWWIPNCGWMPBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155722
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)C)C(=O)OCC	PC-id_19633280	502.606	DVJYXUMRAGJJRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155723
COc1ccccc1CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_24946080,SCHEMBL1983734	502.608	XQUUYKIWQXHAOL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155724
COc1cccc(c1)CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL3485423,PC-id_24946257	502.608	ZMLUOZNMHLTULC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155725
COC(C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)C)c1ccccc1	SCHEMBL3486691,PC-id_21874024	502.608	BLYXADULVCOALU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155726
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)C)c1ccccc1	PC-id_11454872,SCHEMBL2922037	502.608	BLYXADULVCOALU-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-155727
s1c2c(CCC2)c(c1NC(=O)CSc1n(N)c(nn1)CNc1ccc(OC)cc1)C(=O)OCC	PC-id_17288676	502.61	FIZWEIQGFHGBCW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155728
CC(C)(C)OC(=O)N1Cc2c(C1)[nH]nc2Nc1nc(nc(c1)N1CCN(CC1)C)C=Cc1ccccc1	PC-id_90842931	502.611	VSXVWGABFBDVFG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155729
CN1CCN(CC1)c1cc(nc(n1)/C=C/c1ccccc1)Nc1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C	PC-id_16222586,SCHEMBL10123051	502.611	VSXVWGABFBDVFG-ZHACJKMWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155730
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334333860,MCULE-6164128948	502.623	WJLLUPSBPSGYGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155731
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-6865342851	502.624	UOFDKHKTKDRHBF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155732
c1(NC(=O)C(=Cc2ccc(cc2)OC)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-7072665761	502.624	SUAXTNIWISEKCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155733
COc1ccc(/C=C(C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)/c2ccccc2)cc1	EMOLS-id_334335911	502.624	SUAXTNIWISEKCT-ULJHMMPZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155734
O=C(Nc1sc2CCCc2c1C(=O)NCC1CCCO1)/C=C/c1ccc(OCc2ccccc2)cc1	EMOLS-id_334335661	502.624	UOFDKHKTKDRHBF-DTQAZKPQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155735
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCOCCO)sc2CCCc2c1C#N	MCULE-9935954708,EMOLS-id_331928090	502.626	GAQJJPNBXHQGIL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155736
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CC(C)O)sc2CCCc2c1C#N	MCULE-6010012505,EMOLS-id_331925533	502.626	UUUKXJFVHAOTHT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155737
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCCO)sc2CCCc2c1C#N	MCULE-9176306623,EMOLS-id_331928339	502.626	XMRKXRDNXCPESZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155738
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCOC)sc2CCCc2c1C#N	EMOLS-id_331919639,MCULE-5481009814	502.626	JDHBMJKHOBCLDG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155739
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCCCO)sc2CCCc2c1C#N	MCULE-5800872490,EMOLS-id_331929623	502.626	ZAHADBVRGPZDAI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155740
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCOCC)sc2CCCc2c1C#N	MCULE-9196691611,EMOLS-id_331920667	502.626	HJRNNWPXEPSIRV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155741
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCCCCO)sc2CCCc2c1C#N	EMOLS-id_331935508,MCULE-5906083475	502.626	ZFQSCWYCLSGJRI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155742
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-5260867153,EMOLS-id_331928598	502.626	WRWZXOOYDSIJPX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155743
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CCC)sc2CCCc2c1C#N	MCULE-2880591816,EMOLS-id_331920660	502.626	NCEVUWUAGZLERB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155744
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331934483,MCULE-5184280803	502.626	FOSHIRSMDZYWGE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155745
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCCCC)sc2CCCc2c1C#N	MCULE-7602047679,EMOLS-id_331929616	502.626	MXDDOPIDYHIZTI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155746
c1(NC(=O)COc2cn(c(cc2=O)C)CC(c2ccccc2)N2CCCC2)sc2CCCc2c1C#N	EMOLS-id_331628741,MCULE-6004364865	502.628	LVDIYXGHXZEAFU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155747
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-9281411981,EMOLS-id_331932179	502.628	DWNCJZZYFLUQLY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155748
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccccc2C)sc2CCCc2c1C#N	MCULE-9386651071,EMOLS-id_331926810	502.628	RKKGZDGKYNGXDN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155749
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2cccc(C)c2)sc2CCCc2c1C#N	MCULE-8717598816,EMOLS-id_331923993	502.628	ISSYRPRTOPQUKP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155750
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-4270686591,EMOLS-id_331921947	502.628	UTDFDONSCHHCAT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155751
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331924753,MCULE-2378264190	502.628	GBDNDNMDSICSAJ-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-155752
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CC=C)sc2CCCc2c1C#N	MCULE-5712735809,EMOLS-id_332715842	502.628	ZAMDOBZMMGBTEQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155753
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332716096,MCULE-5637187763	502.628	FVCJZAVVQQBJGK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155754
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C=CC2=O)CC)C1)C(=O)NCCc1ccccc1	PC-id_73537710	502.628	BCAWVLUYYKNGCC-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-155755
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=CC(=CC2=O)C)C)C1)C(=O)NCCc1ccccc1	PC-id_73537779	502.628	YKOSUPZCGXTLFN-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-155756
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C=C(C(=CC2=O)C)C)C1)C(=O)NCCc1ccccc1	PC-id_73537901	502.628	DYPKROMRZFTGNX-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-155757
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=CC(=C2)C)C)C1)C(=O)NCCc1ccccc1	PC-id_73262101	502.628	RHJOEPDJTHNHSU-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-155758
s1c2c(CCC2)c(c1NC(=O)C1NNC(=C2C(=O)C(=C(C=C2)C)C)C1)C(=O)NCCc1ccccc1	PC-id_73537861	502.628	YWURMHQJBRPLFT-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-155759
s1c2CCC(C(=O)N3CCN(CC3)C/C=C/c3ccccc3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_16947955	502.628	ZGXBXGPBSHSXRZ-VMPITWQZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155760
s1c2CCC(C(=O)N3CCN(CC3)CC=Cc3ccccc3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_73340152	502.628	ZGXBXGPBSHSXRZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155761
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(cc2)C)nn1)C(=O)OCC	PC-id_24017266	502.629	RTJGDDCVOFXMJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155762
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(ccc2)C)nn1)C(=O)OCC	PC-id_24076865	502.629	VHRDDFMOLAGZMW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155763
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(cccc2)C)nn1)C(=O)OCC	PC-id_24159103	502.629	YXJSKIMRXZXSPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155764
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)Cc2ccccc2)nn1)C(=O)OCC	PC-id_23907519	502.629	DZZYOGMBFWMHQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155765
c1(NC(=O)CN2CCN(CC2)c2nc(C)c(c(=O)[nH]2)Cc2ccc(cc2)C)sc2c(CCC2)c1C#N	EMOLS-id_322526561,MCULE-1128323872	502.631	CZTAGHCYRSKTAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155766
CCc1cccc(c1NC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CC[NH+](CC1)C)CC	GD-id_ZINC06718665	502.631	OBWNXGOQPLDDPS-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-155767
s1c2c(CCC2)c(c1NC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1)C(=O)OCC	PC-id_4923285	502.646	WSORKPPEACJGBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155768
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331792315,MCULE-8017762448	502.649	HAJGPMMGRWMVIL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155769
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_331791028,MCULE-8957549527	502.649	BYTAAPHVEAHPIY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-155770
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC=C)C(=O)OC	PC-id_19721716	502.673	PEUXEGXUZPLEQJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-155771
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC=C)C(=O)OC	PC-id_19719492	502.673	ZEVJYJFEHOTKJY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-155772
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC=C)C(=O)OC	PC-id_19720264	502.673	HMBLVSHXCNAXDF-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-155773
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC=C)C(=O)OCC	PC-id_19718727	502.673	XABUUUCWQYJCLD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-155774
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC=C)C(=O)OCC	PC-id_19721025	502.673	ULIANASNQBAGQS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-155775
COc1cc(C)ccc1S(=O)(=O)/N=C/1NCCN1C(=S)SN1CCn2c1nsc2=S	GD-id_ZINC40566834,PC-id_44412961,CHEMBL211645	502.678	GETJQJASMIVCCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155776
s1c2c(CCC2)c(c1NC(=S)NC(=O)C(CCCOc1c(ccc(c1)C)C)(C)C)C(=O)OCC	PC-id_54783997	502.689	FFUMIHJSMKLUBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155777
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331790777,MCULE-2118539169	502.692	PSDLITYHQIEJGB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155778
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331789497,MCULE-7713724708	502.692	DVTRUSPYWVLUKV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155779
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCN(CC)CC)sc2CCCc2c1C#N	MCULE-2018840619,EMOLS-id_331789240	502.692	MFNKNQFJQLOJFT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155780
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC=C)C(=O)OCC	PC-id_20125986	502.692	VGCJHZCAAKACFS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-155781
s1c2c(CCC2)c(c1NC(=O)CSCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)N	PC-id_4229940	502.732	FVVLTMRBGLHBRR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155782
CCCCC(Oc1cc(C)c(c(c1)C)/C(=C/1C=c2c(=N1)scc2)/c1cc2c([nH]1)scc2)CCCC	SCHEMBL9885759,PC-id_57773995	502.734	WRPNJVNMFNMZIB-BYCLXTJYSA-N	00000010100000110000000110000000000000000000000000000000	25-01-155783
s1c2[nH]c(C(=C3N=c4sccc4=C3)c3c(cc(OC(CCCC)CCCC)cc3C)C)cc2cc1	PC-id_76601918	502.734	WRPNJVNMFNMZIB-UHFFFAOYSA-N	00000010100000110000000110000000000000000000000000000000	25-01-155784
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1Br)Cl)C(=O)OC	PC-id_19202157,MCULE-2553990462	502.763	GZZAZCHQXVJXQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155785
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)Cc1ccccc1	MCULE-7601482706	502.972	BWSOKPIVEAAUAR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155786
Clc1ccc(OC(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)(C)C)cc1	PC-id_44053628	502.989	SHLIGJQCCAZBAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155787
c1(c2CCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1c(OC)ccc(Cl)c1	EMOLS-id_9919718,PC-id_4409668,MCULE-6255122520,CoCoCo_2720395	503.01	PBPDXALTJQVQJT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155788
c1(c2CCCc2sc1NCc1cc(OC)c(cc1OC)OC)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_2720394,EMOLS-id_8206937,MCULE-9074080903,ZINC22_8430135,SPECS-id_AE-848/42024887,PC-id_4418522	503.01	CBEWLBXOKYYRDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155789
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cccc1	PC-id_19728270	503.037	MPQHMSHCBYVIKG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155790
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)ccc1	PC-id_19728572	503.037	YIZCAIYIIHKFDZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155791
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_19728748	503.037	UZAIRYIAVKYKNM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155792
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_20124257	503.037	SSOLCLKGMQPCRB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155793
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_41100099	503.055	NSMGAEGPXJANJQ-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-155794
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_44027698	503.055	NYBRPWYSMANPCW-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-155795
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_44028868	503.055	HOSWMCFLWLKDAT-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-155796
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164871991	503.064	ZXJJIKPXRAXYRV-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155797
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872009	503.064	ZXJJIKPXRAXYRV-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155798
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3Cl)S(=O)(=O)C4=NN(C=C4)CC(F)(F)F	PC-id_164871968	503.064	KLKOSTKWKZREDT-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155799
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=C(C(=CC=C3)F)Cl)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931897	503.064	DAYMMRGQEUTSCB-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155800
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=C(C(=CC=C3)F)Cl)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931988	503.064	DAYMMRGQEUTSCB-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155801
Clc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(C1CCN(CC1)C(=O)OC(C)(C)C)([OH2+])[OH2+]	PC-id_144988229	503.078	WCFPNBHQUOCJOC-UHFFFAOYSA-P	00000010100010101001000010000000000000000000000000000000	25-01-155802
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CN=C(N=C3)N4CCN(CC4)CC5=CC(=C(C=C5)Cl)F	PC-id_148586298	503.148	MZTLTUWMKRDBRA-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155803
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)C(=O)O)C)F	PC-id_165032562	503.162	AUTLBVCSHHFIJG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-155804
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)C(=O)O)C)F	PC-id_165105874	503.162	GIGKIHNWSLRFSY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-155805
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)C1=C[N-]NN1)C(=O)Nc1cc(ccc1)OC(F)(F)F	PC-id_163786229	503.166	MSUFSUPULFBDIY-UHFFFAOYSA-M	00100011100000110001100010000000000000000000000000000000	25-01-155806
c1(NC(=O)COc2ccc(cc2Br)Br)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_1243982,ZINC22_846892,PC-id_1112468,MCULE-8970689122,CoCoCo_96720	503.205	QYOPBUBAPQNROP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155807
CC(C1=CC=C(C=C1)N2CCCC2=O)C(=O)NC3=NNC4=C3CN(C4)N(C5=CC=CC=C5OC)C(=O)N	PC-id_153895473	503.228	BHNVOVXXMRJLBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155808
CCS(=O)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)[C@H](N(C3)CC4CCC(CC4)C)C(C)C	PC-id_160599945	503.228	RHTOUIDDYCJMMH-RGELYXPASA-N	00000010100010101000000010000000000000000000000000000000	25-01-155809
Cn1c2c(CCC2=O)c(c1Nc1c(cc(cc1)I)F)C(=O)NOCC(CO)O	SCHEMBL5055218,PC-id_87770775	503.263	AFXDUYNYFWFDSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155810
Ic1cc(F)c(Nc2n(c3c(CCC3=O)c2C(=O)NOC[C@H](O)CO)C)cc1	PC-id_25125162,BindingDB_PC-id_25125162,SCHEMBL5055216	503.263	AFXDUYNYFWFDSL-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155811
Ic1cc(F)c(Nc2n(c3c(CCC3=O)c2C(=O)NOC[C@@H](O)CO)C)cc1	PC-id_25125842,BindingDB_PC-id_25125842,SCHEMBL5058417	503.263	AFXDUYNYFWFDSL-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-155812
Ic1cc(F)c(Nc2n(c3c(CCC3=O)c2C(=O)NOC(CO)CO)C)cc1	PC-id_25125505,SCHEMBL4789814	503.263	MXQAWUNROHGPTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155813
CCCC[Sn](c1cnc2n1CCC2)(CCCC)CCCCc1ccc(cc1)OC	PC-id_67939137,SCHEMBL9840193	503.299	UCXUVDAQDDNRNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155814
CC1(c2c(CN1C(=O)N(c1ccccc1Cl)Cl)c(n[nH]2)NC(=O)c1ccc(cc1)C(=O)NO)C	PC-id_87320128,SCHEMBL1985198	503.338	QNKOANWTTZTQAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155815
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(cc4)C(=O)NO)c3C2)(C)C)c(Cl)ccc1	PC-id_24948455,SCHEMBL1983776	503.338	UGMWZFUNQMGINV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155816
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(ccc4)C(=O)NO)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1983205,PC-id_24948641	503.338	PLKRIBMCSMQQSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155817
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O)CC	MCULE-6197503809	503.344	ZPCMSLUBESPQIS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155818
[O-][N+](=O)c1nc2n(c1)C[C@](O2)(C)COc1ccc(cc1)n1nnnc1Oc1ccc(cc1)C(F)(F)F	PC-id_117999627,SCHEMBL16624947	503.391	CCMPPMQPMQCONG-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155819
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)[N+](=O)[O-]	SCHEMBL18740012	503.431	JKMHOPQJVIRZAZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155820
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)[N+](=O)[O-]	SCHEMBL20539677,PC-id_135361211	503.431	JKMHOPQJVIRZAZ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155821
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]nn1)C(=O)Nc1cc(ccc1)OC(F)(F)F	SCHEMBL20259503,PC-id_134604947	503.434	DOUSXWHEKGKBFR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155822
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331310,MCULE-4800883293	503.441	SFBTUHZAQIFISS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155823
CCN(CC)c1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1	EMOLS-id_324917762	503.444	LHBZKNZTCBUFJK-STZFKDTASA-N	00000000100000110001000010000000000000000000000000000000	25-01-155824
n12nc(nc1sc(=Cc1ccc(N(CC)CC)cc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-5567948120	503.444	LHBZKNZTCBUFJK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155825
CCCCCCCCC(CN1C(=O)c2c(C1=O)csc2I)CCCCCC	PC-id_117750059,SCHEMBL16307248	503.48	UOPZSBTWGQACNR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-155826
COC(=O)c1ccc(cc1)C(NC(=O)c1c(nn2c1[N+](O)(CC2)Cc1cccc(c1)C)C(F)(F)F)C	SCHEMBL18758567	503.494	POYRQWXKOAYMHP-UHFFFAOYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-155827
Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1	PC-id_139525372,SCHEMBL21398666,BindingDB-id_980711	503.497	PHBQWKWDDFDXON-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155828
Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1nncs1	SCHEMBL21398423,PC-id_139525135,BindingDB-id_980734	503.497	LLEMQHVDAAWIKI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155829
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])OC)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL4288974,PC-id_68988661	503.505	FGURGEVLGPJUPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155830
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)CC1(CC=C(C=C1)c1ccccc1)C(F)(F)F	PC-id_89437949	503.517	WVMVTEBLYBFFOA-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-155831
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)CN1CCN(CC1)CC1(CC=C(C=C1)c1ccccc1)C(F)(F)F	SCHEMBL14776012	503.517	WVMVTEBLYBFFOA-UXMRNZNESA-N	00000010100011110001100010000000000000000000000000000000	25-01-155832
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(N2CCOCC2)ccc([N+](=O)[O-])c1)C(=O)OCC	PC-id_16959000	503.525	FYSIOMMIYDSTBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155833
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(o1)c1ccccc1	SCHEMBL14056325,PC-id_89237684	503.526	SOASLJWGGBRNLO-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-155834
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(c(cc1)F)F	PC-id_89238238,SCHEMBL14056955	503.541	AAEHNWFYTWIAHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155835
CSc1nc(cc(n1)C(F)(F)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	PC-id_59474164,SCHEMBL12143693	503.543	SKYMHXKCNFNZHI-AFYYWNPRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155836
CSc1nc(cc(n1)C(F)(F)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_67219756,SCHEMBL1941296	503.543	SKYMHXKCNFNZHI-DZGCQCFKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155837
CSc1nc(cc(n1)C(F)(F)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247474	503.543	SKYMHXKCNFNZHI-HIFRSBDPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155838
CSc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)cc(n1)C(F)(F)F	BindingDB-id_218901,PC-id_89796586,BindingDB_PC-id_67219755,SCHEMBL1941295	503.543	SKYMHXKCNFNZHI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155839
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1F)C1(CO)CC1)C	SCHEMBL18730119	503.543	JBMXFSJHNHJAMZ-HSZRJFAPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155840
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1F)C1(CO)CC1)C	SCHEMBL18730120	503.543	JBMXFSJHNHJAMZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155841
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-3923824463	503.545	LQYAEIDYBRWKMH-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155842
CC(c1ccc(cc1)N1CCCC1=O)C(=O)NC1c2c(CN1)c(n[nH]2)NC(=O)Nc1ccccc1OC	PC-id_91495827	503.553	WTWBAERCUVLATD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155843
COc1ccccc1NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)C(c1ccc(cc1)N1CCCC1=O)C	SCHEMBL2923237,PC-id_68442317	503.553	URBXFSZVCYKNAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155844
CC(C(c1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N)C	PC-id_67008892,SCHEMBL1372304	503.565	YZPHBNRISVNTAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155845
CC(NCc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	PC-id_57749829,SCHEMBL1372305	503.565	AIACPQXHJVKFAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155846
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCC2)c1C#N	MCULE-9023381105	503.569	OLYPRXZGHOTVHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155847
COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)c1	EMOLS-id_323213468	503.569	OLYPRXZGHOTVHH-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155848
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cn2c(C1)c[n+](c2)C)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_85149579	503.571	YHVPVGHBGVNKPG-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155849
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1Cc2n(C1)cc[n+]2C)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_10258466	503.571	DAXLIIMLLQYIDE-FFEKYCCKSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155850
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1CCn2c1c[n+](c2)C)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_10258468	503.571	CDOISOYKUSDOAU-LRBOQBJTSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155851
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1CCn2c1[n+](cc2)C)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_10077732	503.571	WPDHYUMSKBIVSC-OHVHZHQESA-N	00001011100000110001001010000000000000000000000000000000	25-01-155852
S1[C@H]2N(C(=O)[C@@H]2[C@H](O)C)C(=C1SC1Cn2c(C1)c[n+](c2)C)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_10461664	503.571	YHVPVGHBGVNKPG-LRBOQBJTSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155853
s1c2c(CCC2)c(c1NC(=O)CCc1oc(cn1)c1ccc(F)cc1)C(=O)NCCc1ccccc1	PC-id_52088814	503.588	GPCNYTFPHQNLGA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155854
COCC(Oc1cc(Oc2ccc(cc2)S(=O)(=O)C)cc(c1)C(=O)Nc1sc2c(n1)CNC2)C	SCHEMBL17933902,PC-id_122417308	503.591	FXSZTANTOWRDLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155855
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_3345679	503.591	REQPBSBWGAELQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155856
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_3495846,EMOLS-id_2710001,MCULE-3668500841	503.594	XVPXSLGNSIBRSR-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-155857
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662283,PC-id_41086993	503.594	XVPXSLGNSIBRSR-GFCCVEGCSA-N	00000010101000000001000010000000000000000000000000000000	25-01-155858
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_41086994,CoCoCo_2662284	503.594	XVPXSLGNSIBRSR-LBPRGKRZSA-N	00000010101000000001000010000000000000000000000000000000	25-01-155859
CC1CN(C(CN1C(=O)N1Cc2c(C1=C)[nH]nc2NC(=O)c1cccc(c1)C#N)C)CC1CCOCC1	PC-id_89229075	503.596	QCRKOSUMKKBGSQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155860
COc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_24947511,SCHEMBL1985632	503.596	DPMGJDYNGRSUJF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155861
N#Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2=C)C(=O)N1CC(C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL14038578	503.596	QCRKOSUMKKBGSQ-ZVAWYAOSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155862
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1ccc(c(OCC)c1)OCCCC)C(=O)OC	PC-id_19236945,MCULE-1285241778	503.608	JBKKQJVKVJAOBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155863
c1(NC(=O)COc2c(Cl)c(Cl)c(c(Cl)c2Cl)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_1669157,MCULE-7995724110	503.611	XIZUCDBQNFJXNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155864
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)OC)C2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2408254813,EMOLS-id_334331567	503.613	FXPBWBGKGGXWKW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-155865
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331927576,MCULE-7442167607	503.614	RAWAPJNAQNVQQM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155866
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_331929115,MCULE-8590334467	503.616	GYOQXIURSBDHRX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155867
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-1337750678,EMOLS-id_331923230	503.616	RBFPYATXSBWPSJ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155868
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331925274,MCULE-9903053914	503.616	WKINEGSLWMRAKS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-155869
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CC=C)sc2CCCc2c1C#N	MCULE-7714570446,EMOLS-id_332714818	503.616	FHHIPTXZNIAUJS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155870
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332716097,MCULE-9550392735	503.616	BPXVZOCEAZGNEN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155871
CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1	PC-id_59333926,SCHEMBL7014212,BindingDB-id_546045,BindingDB_PC-id_59333926	503.616	XEGXJBWNOCJXQI-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155872
COCCCN1C[C@H](C)N(CC1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(N)nc(c1F)CC	PC-id_118205639,SCHEMBL16872522	503.616	MVQCWHKGPPFYPT-LOACHALJSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155873
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2N(c1ncc(c(n1)N)F)CC	SCHEMBL17275096,PC-id_118525399	503.616	LBTVXHMSXJODQI-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155874
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(N)c(c(n1)CC)F	SCHEMBL17275095,PC-id_118525398	503.616	SVBOVXMTNSPJLT-CABCVRRESA-N	00000010100010100001000010000000000000000000000000000000	25-01-155875
COCCCN1C[C@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(NCC)ncc1F	SCHEMBL7013709,PC-id_25156312	503.616	XEGXJBWNOCJXQI-HOTGVXAUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-155876
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(N)nc(c1F)CC	SCHEMBL5128538,PC-id_68595498	503.616	MVQCWHKGPPFYPT-CABCVRRESA-N	00000010100010100001000010000000000000000000000000000000	25-01-155877
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CC[N@H+](CC1)C(C)C)c1ccccc1	GD-id_ZINC42191752	503.616	BLYXADULVCOALU-RUZDIDTESA-O	00000010100010110001100010000000000000000000000000000000	25-01-155878
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(c(cc3)C)C)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053454	503.616	GGCZPNOHDJOTRR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155879
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(cc3)C)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053879	503.616	KCQDBXOQDVDXTA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155880
O=[N+]([O-])c1ccc(S(=O)(=O)NC2=NCCN2C(=S)SN2CCn3c2nsc3=S)cc1	PC-id_44413004,CHEMBL210480	503.623	FRIVJMLMOHYXIY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-155881
CCc1cccc(c1NC(=O)n1cc2c(c1)[C@@H]([NH2+]N2)NC(=O)c1ccc(cc1)N1CC[NH+](CC1)C)CC	PC-id_119076181	503.639	SAOQDHPIOQVOCT-AREMUKBSSA-P	00000010100010110001100010000000000000000000000000000000	25-01-155882
CNc1c(c2c(o1)CN(C2)CCCN(C)C)C(=NCCc1ccc(cc1)NC(=O)Nc1ccccc1)N	SCHEMBL763080,PC-id_136381358	503.639	DBAYAJFADPSTBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155883
OCCc1cc(ccc1CNC(=O)N1CCC(C1)C(C)(C)C)c1ccnc(n1)Nc1cnn2c1CCC2	SCHEMBL16794150,PC-id_118139503	503.639	ZXXBUGNEPDVXAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155884
O=C(NC1[NH2+]Nc2c1cn(c2)C(=O)Nc1c(CC)cccc1CC)c1ccc(N2CC[NH+](CC2)C)cc1	PC-id_72199314	503.639	SAOQDHPIOQVOCT-UHFFFAOYSA-P	00000010100010110001100010000000000000000000000000000000	25-01-155885
c1(NC(=O)CCCCCNC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1011217873,EMOLS-id_334331822	503.656	AMTSWBYCJQAMTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155886
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-2368718956,EMOLS-id_334327972	503.656	QISORVRAFZKYPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155887
s1c2c(CCC2)c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_22198279	503.656	ZHNZSQPTEZISIN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155888
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CSc1ccccc1)c1ccccc1)C#N	PC-id_21012941	503.662	OAGSYZSAKHJPQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155889
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331789242,MCULE-1438896838	503.677	FLUAKUMVQRAZAC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155890
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCCCCO)sc2CCCc2c1C#N	MCULE-8282062565,EMOLS-id_331788479	503.677	WOJNEIVSPKEZSS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155891
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331787711,MCULE-9261259808	503.677	LYJRJCDDLFAXQI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155892
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-9116296434,EMOLS-id_331791545	503.677	NCQRFBIMCMFRCM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155893
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCOCCCC)sc2CCCc2c1C#N	EMOLS-id_331788977,MCULE-6335616910	503.677	GRNDOQBVNZVFNV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155894
Cc1nn2c(n1)SC(C2O)C(c1cccs1)N1CCN(CC1)C(c1ccccc1)c1ccccc1	PC-id_71241366,SCHEMBL14665180	503.682	SEKKNRYEHXDRDQ-UHFFFAOYSA-N	00000010100110110001000010000000000000000000000000000000	25-01-155895
CCCCCCCC/C=C/C/C=C/CCCCCOC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_101439888	503.715	MMORMMLQXGLKKL-SGTZHFJNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155896
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](CC1)C	SCHEMBL18367822	503.72	CYFIMDKCUBHYJP-KHOMTPLRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155897
n12nc(nc1sc(=Cc1ccc(c3c(Cl)ccc(c3)C(F)(F)F)o1)c2=O)COc1ccccc1	MCULE-5235060108	503.881	LGBXRRORAULXME-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155898
Clc1c(SCC(=O)OC2C(OC(=O)C)COC2)cc(/N=c/2sc(=O)n3n2CCC3)c(F)c1	PC-id_21458564	503.952	LXAZZDDFZZJYJZ-PYCFMQQDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155899
O=C(OC1COCC1OC(=O)C)CSc1cc(/N=c/sc(=O)n3n2CCC3)c(cc1Cl)F	SCHEMBL9048793	503.952	LXAZZDDFZZJYJZ-RELWKKBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155900
O=C(OC1COCC1OC(=O)C)CSc1cc(N=c2sc(=O)n3n2CCC3)c(cc1Cl)F	SCHEMBL9048796	503.952	LXAZZDDFZZJYJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155901
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1nncs1)COCNc1cc(c(cc1)F)Cl	PC-id_134302829,SCHEMBL19920540	503.977	OHMBTPDDKPHZHA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155902
Clc1ccc(Oc2cc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc([N+](=O)[O-])c2)cc1	PC-id_20171115	503.978	BXFJQCIUMGPFRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155903
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-8010763671	504	FBXGTPMNXRLUKI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155904
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-8872589868	504	KWBVHUIWAKPYDN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155905
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-4219007107	504	DRWXUZNDLDSGJN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-155906
CCOC(=O)c1c(NC(=O)CSc2nnc(c(n2)[O-])Cc2ccc(cc2)Cl)sc2c1CCC2	GD-id_ZINC16806789,PC-id_27350496	504.002	OUFMFJHLUGPJAC-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-155907
Clc1c(Cc2nnc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nc2[O-])cccc1	PC-id_27331079	504.002	YILDZPJJCSBNAR-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-155908
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc1	PC-id_44053199	504.002	LJUYJYUYVQCAQM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155909
Cc1csc2nc(Cl)c(/C=c/3sc4nc(CC(c5ccccc5)c5ccccc5)nn4c3=O)n12	EMOLS-id_324830452	504.026	KWSHUBNXXOBVEL-MOSHPQCFSA-N	00000000100000110001000110000000000000000000000000000000	25-01-155910
n12nc(nc1sc(=Cc1c(Cl)nc3scc(C)n13)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3197575469	504.026	KWSHUBNXXOBVEL-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-155911
CC(C)C1c2c(CN1Cc1cc(ccc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19771999,PC-id_134170830	504.065	PZYTUUCXUDDZDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155912
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772117,PC-id_134170944	504.065	LIZBGGUNBSWESM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155913
CC(C)[C@@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134167022,SCHEMBL19767362	504.065	LIZBGGUNBSWESM-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155914
CC(C)[C@@H]1c2c(CN1Cc1cc(ccc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19767360,PC-id_134167020	504.065	PZYTUUCXUDDZDC-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155915
CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	PC-id_117688960,BindingDB-id_722780,BindingDB_PC-id_117688960,SCHEMBL16224810	504.065	LIZBGGUNBSWESM-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155916
CC[C@@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19767356,PC-id_134167016	504.065	IQDCXDMJSVWJDV-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155917
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)C(N(C2)Cc1ccc(cc1)Cl)(C)C	SCHEMBL18368028	504.065	SQJJPDFVFCJZIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155918
CC1(c2c(CN1C(=O)Nc1c(cccc1Cl)C1CC1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195384,SCHEMBL20348509	504.088	RSJLGWBMMYDYLK-UHFFFAOYSA-N	00101010100000110001100010000000000000000000000000000000	25-01-155919
OCC(c1ccccc1Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817043	504.097	VPCNOWYMESOAAI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155920
OC[C@H](c1ccccc1Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630849	504.097	VPCNOWYMESOAAI-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155921
CCC(C)(C)c1cc(c(cc1)OC(C)C(=O)NCC(C)C1Nc2c(c(nn2N1)C)Cl)C(C)(C)CC	PC-id_135665973	504.108	ZRWVXUAJXAEGKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155922
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(COC1)C(=CNNC)N)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_163973084	504.169	SRSMOIXUCCLKGO-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-155923
CCOc1ccc(OCc2nc3s/c(=Cc4cc(Br)c(O)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324878341	504.354	KDBRQAGDHJLVIA-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155941
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)CC4=CC(=CC(=C4)F)C(F)(F)F	PC-id_162079625	504.178	WXVUUWHGZSWXQU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155924
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC(=C(C=C3)C(=O)OC)F)CC4=CC(=CC=C4)C(F)(F)F	PC-id_160349637	504.178	ASHKNVPUOGFUGR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155925
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=C(C=C(C=C3)C(=O)OC)F)CC4=CC=C(C=C4)C(F)(F)F	PC-id_162101528	504.178	JVMUXLNHNPVTEZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155926
CC(C1=CC=C(C=C1)C(=O)OC)NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC4=CC(=CC=C4)CF	PC-id_147658965	504.178	GKYVFTPKGKBTLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155927
C[C@H](C1=CC=CC=C1)C(=O)N2CC3=C(C2)N(N=C3NC(=O)C4=CC=C(C=C4)N5CCC(CC5)F)C(=O)[O-]	PC-id_161633167	504.205	WXLUKNFGUKORTF-QGZVFWFLSA-M	00000010100010110001100010000000000000000000000000000000	25-01-155928
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(C4)C5=CC=CC=C5C(F)(F)F	PC-id_149954061	504.235	CRVLXNQCDSNFGD-JWTNVVGKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155929
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5F)F)F	PC-id_149926542	504.235	CMIHIBZOSZZISL-IYBDPMFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155930
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=C(C=C5)F)F)F	PC-id_150597461	504.235	IRDPGPVHQNEEGA-IYBDPMFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155931
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=CC(=C5F)F)F	PC-id_150604169	504.235	ISNDRIZQMQBUFE-IYBDPMFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155932
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5)F)F)F	PC-id_150803024	504.235	KGGUWCQGSZRKIU-IYBDPMFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155933
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC(=C5)F)F)F	PC-id_151106983	504.235	MPHUEOBWWKTKGR-IYBDPMFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155934
CC1(c2c(CN1C(=O)C(c1ccccc1)OCC(F)F)c(n[nH]2)NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_163985123	504.237	TVPUHHHOQZAXPG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155935
C[C@@H]1[C@@H](CCCN1C2=CN=C(C(=N2)NC3=CN(N=C3)C)C(=O)N)CC(=O)C4=CC5=C(N4C)CC(C5)(C)C	PC-id_161199480	504.296	UUUDNPAVHKKNCA-SJORKVTESA-N	00000010100010100001100010000000000000000000000000000000	25-01-155936
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(n[nH]c4=O)CC3)C(=O)O)cc2)c(Cl)ccc1	SCHEMBL4511729,PC-id_69073683	504.323	JJXCODBWYLDPBJ-VYRBHSGPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155937
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(n[nH]c4=O)CC3)C(=O)O)cc2)c(Cl)ccc1	SCHEMBL4511727,PC-id_69073681	504.323	JJXCODBWYLDPBJ-HOTGVXAUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155938
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(n[nH]c4=O)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_11533488	504.323	JJXCODBWYLDPBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155939
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)OCC)Br)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758636	504.341	OWKBZAXRACYRQP-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155940
COc1ccc(Cc2nc3s/c(=Cc4cc(Br)c(O)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324925450	504.354	JTGIGFUCJFJWNT-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155942
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-7230790011	504.354	JTGIGFUCJFJWNT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155943
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)COc1ccc(cc1)OCC	MCULE-2869266643	504.354	KDBRQAGDHJLVIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-155944
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(OC)c(OC)cc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL3485849,PC-id_24947137	504.366	ZRCVVQVYQSSKOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155945
COc1cc(/C=c/2sc3nc(/C=C/c4cccs4)nn3c2=O)cc(Br)c1OC(=O)C	EMOLS-id_45970332,ZINC22_27022139	504.377	XKZVVHCVLUNPCD-LZYRAVMASA-N	00000000100100110001000010000000000000000000000000000000	25-01-155946
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)OC(=O)C)c2=O)C=Cc1cccs1	MCULE-2909312730	504.377	XKZVVHCVLUNPCD-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-155947
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-2487594771,PC-id_18848692	504.429	IIKILGRMZOAPKV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155948
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2n(nc1C(F)(F)F)CCN2C(=O)c1ccccc1F)C	SCHEMBL18758509	504.434	SYVKQKDXCGTHES-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155949
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1	SCHEMBL19900731,PC-id_134285048,BindingDB-id_799337	504.437	YJZXUQZHFYKCGX-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155950
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1c[nH]nn1	BindingDB-id_980742,PC-id_139525111,SCHEMBL21398399	504.437	HQZCAVNNWGRQAN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155951
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)F)C(=O)Nc1ccc(cc1)F	SCHEMBL20238966,PC-id_134586632	504.437	LTPZSOKIZLBHDP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155952
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)F)C(=O)Nc1ccc(cc1)F	PC-id_134302803,SCHEMBL19920514	504.437	LTPZSOKIZLBHDP-CYBMUJFWSA-N	00001010100000110001100010000000000000000000000000000000	25-01-155953
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2ccccc2)c(c1F)C(F)(F)F	BindingDB-id_435300,PC-id_118483389,SCHEMBL17222916	504.452	FGVUZNOLOHNSHL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155954
[O-][N+](=O)c1cn2c(n1)O[C@H](C2)COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F	PC-id_140041611	504.458	DUVMZNXFXJDELE-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155955
O=C(C(=O)c1c2CCCn2c(c1C)C(=O)Nc1cccc(c1)OC(F)(F)F)NC1(CC1)C1=CNNN1	PC-id_142295115	504.462	TUDGRBVEWSWWSH-UHFFFAOYSA-N	00100011100000110001100010000000000000000000000000000000	25-01-155956
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CF)C	SCHEMBL18758458	504.477	GKYVFTPKGKBTLW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155957
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(CF)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758651	504.477	BTSKGWZARIEYBI-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155958
COC(=O)c1ccc(cc1)C(NC(=O)c1c(CF)nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758652	504.477	BTSKGWZARIEYBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155959
FC[C@@H]1CN(c2n1nc(c2C(=O)NC(c1ccc(cc1)C(=O)O)C)C(F)(F)F)Cc1cccc(c1)C	SCHEMBL18758484	504.477	QXHAUEQEASBNNC-XCWJXAQQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155960
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)Nc1c(C)cccc1Br	PC-id_140882920	504.495	ZTJLXGPSHLEHMG-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-155961
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si-](C)(C)C)Nc1c(C)cccc1Br	PC-id_145210905	504.495	VUJANAPLTDIVSQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-155962
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1Br	PC-id_140882922	504.495	GOIDRJBEMNWRLQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-155963
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N(C)C)C)F	PC-id_134599077,SCHEMBL20252978	504.501	NBGFYYHNZZYKCZ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-155964
Nc1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	PC-id_145162922	504.501	FYGODIIFSVPTDU-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-155965
[C@@H](C(=O)Nc1sc2CCCc2c1C#N)(OC(=O)c1ccccc1)[C@H](C(=O)O)OC(=O)c1ccccc1	EMOLS-id_327935893,MCULE-3925981690	504.511	AWBRDTSSINGUHD-NHCUHLMSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155966
CCOP(OCC)OCOC1CCN(CC1)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL13659072,PC-id_70962462	504.512	WNQAZZCLUZZXKI-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-155967
CCOP(=O)(COC1CCN(CC1)c1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)OCC	SCHEMBL13652922,PC-id_59809777	504.512	JMCBJSCIUOXAGL-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-155968
COc1cc(C)c(c(c1)C)S(=O)(=O)N(CCOCC(=O)N1Cc2c(C1)c(nn2C)C(F)(F)F)C	PC-id_69013102,SCHEMBL4352399	504.523	PGHHIDPNKVEFEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155969
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(C[NH+]2n3c(ncc3)C=C2)C1)C(=O)O	PC-id_85075581	504.523	RIMIWSFYRLILSC-UHFFFAOYSA-O	00001011100011000001001010000000000000000000000000000000	25-01-155970
CCC(c1ccc(cc1)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL16618248,PC-id_117993875	504.534	NCHIDTOWOKSQEZ-MKAWVKDUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155971
S1C2N(C(=O)C2C(O)C)C(=C1SC1Cc2n(C1)cnc2O)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_14124252	504.536	SSJNXUSCAJRRAC-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155972
S1[C@H]2N(C(=O)[C@@H]2C(O)C)C(=C1SC1Cc2n(C1)cnc2O)C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_56986237	504.536	SSJNXUSCAJRRAC-JQXKOOCQSA-N	00001011100000110001001010000000000000000000000000000000	25-01-155973
CCC(c1ccc(cc1)OCc1nnn(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	SCHEMBL16624884,PC-id_117999570	504.538	ADTAQAYPHNIOFF-WQGFSJIWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-155974
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)c1ccc(cc1)Cc1ncc[nH]1	SCHEMBL2918591,PC-id_68440672	504.539	LDZBSESBYWIHAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155975
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)c1ccc(cc1)Cn1cncc1	SCHEMBL2918587,PC-id_68440670	504.539	SRRFEAUJGXLCIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155976
S1C2N(C(=O)C2NC(=O)C(=NO)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)[O-]	PC-id_75298815	504.543	NRYJLWCBLBJUPZ-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-155977
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NO)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)[O-]	PC-id_49833158	504.543	NRYJLWCBLBJUPZ-CXAGYDPISA-N	00001010100011000001001010000000000000000000000000000000	25-01-155978
FC(F)(F)c1ccc(C(=O)Nc2n[nH]c3C(N(C(=O)N4CCC(N5CCCC5)CC4)Cc23)(C)C)cc1	PC-id_10074853	504.548	NIMRLVLODFWACO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155979
COCCCN1C[C@@H](C)N(C[C@@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F	PC-id_122614485,SCHEMBL18142840	504.573	RLWGHILOEJWQPP-JKSUJKDBSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155980
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1F)F	PC-id_66738996,SCHEMBL597768	504.573	RLWGHILOEJWQPP-CVEARBPZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155981
Fc1c(C(=O)Nc2n[nH]c3C(N(C(=O)N4[C@H](CN([C@@H](C4)CCO)CCC)C)Cc23)(C)C)ccc(F)c1	SCHEMBL597974,BindingDB_PC-id_66739058,PC-id_66739058	504.573	AYUWDHABSXRRLL-DOTOQJQBSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155982
C1C(CN2[C@H](C)CN(C(=O)N3C(C)(C)c4[nH]nc(Nc5c(F)cnc(F)n5)c4C3)[C@@H](C)C2)CCOC1	MCULE-5445414646	504.576	UTRLWHIIOCXCEO-CABCVRRESA-N	00000010100010100001000010000000000000000000000000000000	25-01-155983
C[C@@](CCN1Cc2cc(C#Cc3ccc(C4(O)COC4)cc3)sc2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4545447	504.576	QPNKZANQFNZROL-JOCHJYFZSA-N	00001010100000110000100010000000000000000000000000000000	25-01-155984
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_14274438,PC-id_17113803	504.579	AYTPWSNVODUTSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-155985
O=C(c1sc2c(c1)CC(C2)(C)C)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1n[nH]c(c1)C1CC1	PC-id_46221928,SCHEMBL9985986	504.579	GZZILNICXLTGBV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-155986
OCCN1CCN(CC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)Oc1ccccc1	PC-id_66739043,SCHEMBL597940	504.581	ZALOGDYDTHNEAH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-155987
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(=O)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4386635592	504.597	QDKPUFWBGRKQEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-155988
COc1cc(ccc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)csc2)CC(=O)N1CCCCC1	PC-id_68472912,SCHEMBL3001856	504.597	VOBDYVUFVBWTPB-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-155989
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)ccc1OC(=O)C	EMOLS-id_334328231	504.597	QDKPUFWBGRKQEX-WYMLVPIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-155990
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(F)cc1)C(=O)OCC	PC-id_19633617	504.597	LSYGSXSQVYTUME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155991
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC)C(=O)OC	PC-id_19640509	504.597	MNBBFHCDJROPFQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155992
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)C)C(=O)OCC	PC-id_19640436	504.597	SIKKQHCMTJXBLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-155993
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331928858,MCULE-2734467039	504.599	DRCUTHJVIKMORK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155994
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CCO)sc2CCCc2c1C#N	MCULE-5384254226,EMOLS-id_331928095	504.599	SWVHSYJENZCYKW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155995
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331920924,MCULE-9485409340	504.599	WCEAOHGGRNGNIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-155996
c1(oc(C)cc(=O)c1O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC(=O)NCc1cn2c(SCC2)n1	ZINC22_2049513425,EMOLS-id_324513423,STOCK7S-75987,MCULE-3929990741	504.599	SITPBJIBCYPHSN-UHFFFAOYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-155997
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331935505,MCULE-8470138468	504.601	ZEWBNFDAPIYKLT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-155998
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_331927066,MCULE-1492168058	504.601	KRTWTQUAYXMADN-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-155999
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-9079346216,EMOLS-id_331932435	504.601	FBUVIXUEWDJLKY-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-156000
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2cccc(C)c2)sc2CCCc2c1C#N	MCULE-6123074802,EMOLS-id_331924249	504.601	CORWGFHUECNOGS-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-156001
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-1645633686,EMOLS-id_331922203	504.601	DBOUZDPVLWBYJY-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-156002
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331925520,MCULE-7447251990	504.601	PLOYVRIXVCBPIW-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-156003
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CC2CCCO2)sc2CCCc2c1C#N	MCULE-4843873392,EMOLS-id_332714048	504.601	BYIWTNZEPMFJEW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156004
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CC=C)sc2CCCc2c1C#N	EMOLS-id_332717120,MCULE-5814785969	504.601	GSGYSCJPTKLBLL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156005
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CC=C)sc2CCCc2c1C#N	EMOLS-id_332717634,MCULE-9804647708	504.601	WDQWVOQOMKMLTQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156006
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)Cc2ccco2)sc2CCCc2c1C#N	MCULE-5503219793,EMOLS-id_331926047	504.601	ULEXMVXGVCDOLK-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-156007
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1	PC-id_25159113,BindingDB_PC-id_25159113,BindingDB-id_546093,SCHEMBL3328158	504.601	VRRYDMZFZWURRY-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-156008
COCCCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)(C)N(C[C@@H]1C)C)F	SCHEMBL3324898,PC-id_59334001	504.601	BSZPNBWLWBWHMA-HNNXBMFYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-156009
Fc1c(Nc2n[nH]c3C(N(C(=O)N4CC(N(CC4C)C)(C)C)Cc23)(C)C)nc(OCCCOC)nc1	PC-id_72257763	504.601	BSZPNBWLWBWHMA-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-156010
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_16947952	504.601	AYMAKVYCXCIKMZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156011
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)sc2c(CCC2)c1C(=O)OC	SPECS-id_AN-153/I120990,ZINC22_6879007,SPECS-id_AN-329/40256249,SPECS-id_AT-084/J158030,MCULE-1222387636,PC-id_3115399,TIMTEC307925,EMOLS-id_1260478,CoCoCo_116455	504.619	MHGCACNARSBZHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-156012
c1(NC(=O)CCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_1721477,SPECS-id_AE-848/36648049,TIMTEC126983,ZINC22_8400233,MCULE-3446233318,PC-id_4300531,EMOLS-id_3738642,STOCK1S-77550	504.619	DNIGCSKXUMYYOY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-156013
c1(NC(=O)COC(=O)C(CCSC)NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	TIMTEC232401,EMOLS-id_1325666,PC-id_3129206,MCULE-2046443902,BAS-01277158	504.619	JBDXDWUUMDLSFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156014
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#Cc1ccc(cc1)C(C)(C)CO)(C(=O)NO)S(=O)(=O)C	PC-id_137440936,SCHEMBL20678244	504.619	MINPQCAFHCQRNM-XMMPIXPASA-N	00000010100000110000000010000000000000000000000000000000	25-01-156015
CC(C)(CO)c1ccc(cc1)C#Cc1cc2c(s1)C(=O)N(C2)CCC(C)(C(=O)NO)S(=O)(=O)C	PC-id_137440934,SCHEMBL20678242	504.619	MINPQCAFHCQRNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156016
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccccc2)sc2c1CCC2	CoCoCo_185666,PC-id_7567314,ZINC22_5225253	504.619	JBDXDWUUMDLSFJ-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156017
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)sc2c1CCC2	PC-id_7567309,CoCoCo_185667,ZINC22_5225247	504.619	JBDXDWUUMDLSFJ-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156018
s1c2c(CCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C)C(=O)OC	PC-id_20181409	504.619	YWYJTKQCYVAKPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156019
CC1CCC(C1)CNC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	SCHEMBL11224364,PC-id_56635424	504.622	LUEVGZFCWZHEIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156020
CC1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	SCHEMBL11222257,PC-id_56614830	504.622	GHXBJTIJIQKQND-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156021
CC(C[C@H](C(=O)N(C)C)NC(=O)CNC(=O)[C@H]1N(Cc2c1ccn2C)C(=O)[C@@H](C(C)C)NC(=O)C)C	PC-id_101358574	504.622	AXOWDNQXBHPGSY-QIJUGHKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-156022
COC(=NC1CCCCC1)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	SCHEMBL11221304,PC-id_56619136	504.622	DMXOKYSUMISCSA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156023
O=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2)NC1CCCCCC1	PC-id_56627508,SCHEMBL11216659	504.622	WYWKUFDFXRSOIS-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-156024
O(C1C(CC(CC1C)C)C)C(=O)C1=C([N+]#[C-])C(=Nc2c(cc(N(CCO)CC)cc2)C)n2c1nnc2C	PC-id_59091100	504.624	YKJJVYKGOUKPPU-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-156025
c1(NC(=O)C(=Cc2ccc(cc2)OCC)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-5462485685	504.64	FSRLUHLZCWHEAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156026
CCOc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C(=O)NCCCOC)c2ccccc2)cc1	EMOLS-id_334387223	504.64	FSRLUHLZCWHEAB-LYBHJNIJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156027
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCCC)sc2CCCc2c1C#N	EMOLS-id_332710990,MCULE-8623364307	504.644	WSUCCZUKRLDHNU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156028
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C(C)(C)C)CC)sc2CCCc2c1C#N	EMOLS-id_332714052,MCULE-7137929050	504.644	XXTDDEXDPJVTKA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156029
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CCCC)CC)sc2CCCc2c1C#N	EMOLS-id_332715075,MCULE-5661705689	504.644	QTAOJMYCZJYXSV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156030
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332715081,MCULE-2358733781	504.644	YWNHOVNKMSWMED-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156031
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332716360,MCULE-2996077588	504.644	UGMDYFOUCYOXBH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156032
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)C(C)(C)C)CC)sc2CCCc2c1C#N	EMOLS-id_332716612,MCULE-9984370870	504.644	RMSDKGREAPMXIE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156033
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332720193,MCULE-6168978479	504.644	AXHQXNLBUOSUDA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156034
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_332720704,MCULE-5498270562	504.644	KWSJSLNNDCNDQU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156035
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332721472,MCULE-7272083554	504.644	FNQYPAAYOKWZKP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156036
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CCC)sc2CCCc2c1C#N	MCULE-1093986096,EMOLS-id_332711752	504.644	YOZJEARUFIEHRT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156037
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CC(C)C)sc2CCCc2c1C#N	MCULE-1985033829,EMOLS-id_332712521	504.644	NYTLQOHUKKAOSW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156038
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CC(C)C)sc2CCCc2c1C#N	MCULE-7189921480,EMOLS-id_332712010	504.644	LKNNWTSKZUVOSS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156039
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCCC)sc2CCCc2c1C#N	MCULE-9386361535,EMOLS-id_332711501	504.644	PQLLPXISMDPPGX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156040
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCCC)sc2CCCc2c1C#N	EMOLS-id_332711246,MCULE-3953023922	504.644	SAFAWWJYKKMIIN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156041
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332712266,MCULE-2007382930	504.644	YYUOVMKJEUDRCF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156042
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332712522,MCULE-6785979501	504.644	PAKDCFMXSDEMNL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156043
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332712778,MCULE-4380508989	504.644	WCUGCULIIJASGP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156044
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCCC)sc2CCCc2c1C#N	MCULE-7526479102,EMOLS-id_332711502	504.644	WIBASVDDSYFMIB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156045
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCC(C)C)sc2CCCc2c1C#N	MCULE-7693751866,EMOLS-id_332719681	504.644	JZJABAIAWRALQZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156046
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCCC)sc2CCCc2c1C#N	MCULE-9263196563,EMOLS-id_332711758	504.644	FQQQETHABVWVKT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156047
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCCCC)sc2CCCc2c1C#N	MCULE-9665861416,EMOLS-id_332714569	504.644	UTLRHSGGCJCDEL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156048
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332710729,MCULE-6664333849	504.644	JMGRDTIYNSLXQT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156049
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332711753,MCULE-3875955022	504.644	MFHVHZCUHWHRLK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156050
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCCC)sc2CCCc2c1C#N	MCULE-2631028760,EMOLS-id_332710733	504.644	XQXHZKVEWZLZLK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156051
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCCC)sc2CCCc2c1C#N	MCULE-5051760775,EMOLS-id_332713804	504.644	IXKSNGUPHYLHTA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156052
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CCC)sc2CCCc2c1C#N	EMOLS-id_332712006,MCULE-7509290587	504.644	NQUWVJCZOSGBEN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156053
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331921429,MCULE-6266372537	504.644	UXDJMBIUZFAXIN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156054
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCCC)sc2CCCc2c1C#N	EMOLS-id_331921433,MCULE-4107964639	504.644	PBHYUFRFTKYACL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156055
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_331924251,MCULE-1008251590	504.644	QZHIAMHTIHLPQU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156056
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-7218064463,EMOLS-id_331933715	504.644	FXJUEKSZOJPSSZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156057
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_331925529,MCULE-5031084840	504.644	FJDJRNPGRCAXQY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156058
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331924241,MCULE-2840271981	504.644	ABPPWCRKNAOUFV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156059
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331924507,MCULE-4674201405	504.644	GCIIIOSVKDGQLT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156060
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-6291837558,EMOLS-id_331919388	504.644	FAHWOMBDXJMZGM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156061
CCOC(=O)c1c(NC(=O)CSc2nnc(Nc3cc(C)ccc3OC)s2)sc2c1CCC2	PC-id_2345096,ZINC22_3226924,EMOLS-id_43754457,MCULE-5571711924,CoCoCo_3007904	504.645	LWSUSJXUJZOMTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156062
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1sccc1)C(=O)OC	PC-id_19725330	504.645	CDYMTYIOMNKMPM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156063
CCOC(=O)c1c(NCC(=O)c2cccc(c2)S(=O)(=O)N2CC(C)CC(C2)C)sc2c1CCC2	PC-id_110829781	504.662	DJWZRLCHPMVXJC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156064
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331789496,MCULE-1841064944	504.665	FFKUPRIOZHVWPG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156065
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CC(C1)C(=O)N	PC-id_134170992	504.665	LSEYNSSLHBCGNT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156066
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1C[C@H](C1)C(=O)N	SCHEMBL19772171	504.665	LSEYNSSLHBCGNT-VHPWLNBFSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156067
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCNC(=O)C1	SCHEMBL18367900	504.665	WPEZGOVLJMQWRO-VXLWULRPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156068
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1C[C@H](C1)C(=O)N	SCHEMBL18367896	504.665	LSEYNSSLHBCGNT-HOIFWPIMSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156069
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331816,MCULE-3492566206	504.683	JZMZPWHXSHAQTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156070
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(CC)c(sc1)C)C(=O)OC	PC-id_19721932	504.688	ZCIFYMMKKIYROK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156071
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CCC)C(=O)OC	PC-id_19719646	504.688	MMPIGNIMZCVCRG-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156072
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CCC)C(=O)OC	PC-id_19719802	504.688	KPEIMEMBDCYXCB-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156073
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C(C)C)C(=O)OC	PC-id_19720420	504.688	VXRJDDGUWGVVAK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156074
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C(C)C)C(=O)OC	PC-id_19720576	504.688	ILHZOWSABKLVTK-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156075
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CC)C(=O)OCC	PC-id_19718879	504.688	ATWIUODDTRXZAD-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156076
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CC)C(=O)OCC	PC-id_19719033	504.688	BCXZRAWBWPOOQS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156077
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(c(sc1)C)C)C(=O)OCC	PC-id_19721178	504.688	SZUYLGBGIVOHFU-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156078
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(c(sc1)C)C)C(=O)OCC	PC-id_19721330	504.688	WOFYLSNTUGSDAT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156079
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CCC)C(=O)OC	PC-id_17264445	504.688	DHIWIAMAGPYYCJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156080
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC)C(=O)OCC	PC-id_19721609	504.688	LLQMGDVAANRTKA-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156081
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC)C(=O)OCC	PC-id_19719337	504.688	WOPMISKPLOMPTN-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156082
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC)C(=O)OCC	PC-id_19720110	504.688	LVCUZVABGJGBDQ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-156083
CC1(c2nn(c(c2CN1C(=O)Cl)NC(C)(c1ccc(cc1)I)O)C(=O)O)C	PC-id_89803977,SCHEMBL15256573	504.707	XMMIMBXNZQQPTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156084
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)Br	PC-id_134170948,SCHEMBL19772121	504.87	JRWTYDWIQKWVPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156085
Clc1ccc(cc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)Br	SCHEMBL18367914	504.87	JRWTYDWIQKWVPB-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156086
Clc1ccc(cc1)CN1CCn2c1c(C(=O)NC1(CC1)c1ccc(cc1)C(=O)O)c(n2)C(F)(F)F	SCHEMBL18740084	504.889	IGYMWRCBBCGCPD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-156087
CCC1(c2c(CC1(CC)CC)nc(n2Cc1ccc(cc1)Cl)C(C)C)C(C(=O)O)(C(=O)O)C(=O)O	SCHEMBL2515275,PC-id_67435821	505.003	YEODNIPGMZAHTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156088
CCOC(=O)C(C1CCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C)(C(=O)OCC)C(=O)OCC	SCHEMBL2515272,PC-id_58460151	505.003	WLHHYFKUKAFBJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156089
CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2Cl)sc2c1CCC2	MCULE-6532561798,ZINC22_96305956,PC-id_84223705	505.006	ZTWXCGCPTXURPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156090
CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)sc2c1CCC2	ZINC22_408603908	505.006	GJXHMLWOCUSZTK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156091
COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)sc2c1CCC2	ZINC22_408622248	505.006	VHCHNUFWIIHPEA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156092
COC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)sc2c1CCC2	ZINC22_408618438	505.006	KJBXTHMUQDGYMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156093
COC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408602895	505.006	DDCWOPJTVBXJLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156094
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408612470	505.006	VKEYXTAPQGCGAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156095
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408602880	505.006	DCBJLJARYJFOKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156096
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408621016	505.006	NUXZVBXGNSIRMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156097
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)C)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1931455496,PC-id_18880027	505.01	GIHRSUTUIBQMOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156098
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(n[nH]c4=O)CC3)C(=O)O)cc2)c(Cl)cnc1	SCHEMBL4512945,PC-id_69074193	505.311	YMSMJUZTTDKHOI-MLCCFXAWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156116
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_135532099,TOSLab_10700,CoCoCo_6271064,CoCoCo_6601455,EMOLS-id_8336563,CoCoCo_6271063,MCULE-5768006045,CoCoCo_6601457,ZINC22_16806789,CoCoCo_6601456	505.01	OUFMFJHLUGPJAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156099
c1(NC(=O)CSc2nnc(c(=O)[nH]2)Cc2ccccc2Cl)sc2c(CCC2)c1C(=O)OCC	ZINC22_16777229,EMOLS-id_10085415,MCULE-9633305008,CoCoCo_6601440,CoCoCo_6271056,CoCoCo_6601442,CoCoCo_6601441,CoCoCo_6271055,PC-id_135844754	505.01	YILDZPJJCSBNAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156100
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)NCCc2ccc(S(=O)(=O)N)cc2)cc1	PC-id_16947483	505.01	JXGSUCIUURQMNG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156101
CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)NN=Cc2ccc(cc2)Cl)sc2c1CCC2	MCULE-2768974432,PC-id_28698253	505.013	LIWYEBGCXBCLDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156102
CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)N/N=C/c2ccc(cc2)Cl)sc2c1CCC2	PC-id_17369051,SPECS-id_AN-153/I184279	505.013	LIWYEBGCXBCLDY-AUEPDCJTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156103
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(Cl)cc1	EMOLS-id_328223864,MCULE-7464297773	505.028	HACCYFJYFPTACW-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-156104
CC(C1N(Cc2ccc(cn2)Cl)Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C	PC-id_87056524,SCHEMBL16213618	505.053	HGTAGTUCLISPKT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156105
CC(C)[C@@H]1N(Cc2ccc(Cl)cn2)Cc2sc(nc12)C(=O)NCc1ccc(cc1)S(=O)(=O)C	BindingDB-id_722826,SCHEMBL16213616,BindingDB_PC-id_87056524	505.053	HGTAGTUCLISPKT-NRFANRHFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156106
Clc1ccc(Cc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_20124143	505.053	KNYCBAFAJYFCQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156107
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=C(C(=CC=C3)F)F)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872012	505.084	QXRPZNSRSIHONE-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156108
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=C(C(=CC=C3)F)F)S(=O)(=O)C4=CN(N=C4)CC(F)(F)F	PC-id_164872287	505.084	QXRPZNSRSIHONE-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156109
C[C@@H](C1=CC=C(C=C1)C(=O)[O-])NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC4=CC(=CC=C4)CCl	PC-id_153681012	505.126	BEFFDYDYZGETQK-AWEZNQCLSA-M	00000010100000110001000010000000000000000000000000000000	25-01-156110
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(COC1)C(=CN[NH2+]C)N)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_163973083	505.176	SRSMOIXUCCLKGO-UHFFFAOYSA-O	00001010100000110000000010000000000000000000000000000000	25-01-156111
C[C@H](C1=CC=CC=C1)C(=O)N2CC3=C(C2)N(N=C3NC(=O)C4=CC=C(C=C4)N5CCC(CC5)F)C(=O)O	PC-id_161633168	505.213	WXLUKNFGUKORTF-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156112
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3=CC=CC=C3)C(=NN2C)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C	PC-id_164941716	505.244	MIXYVIGVENFKIB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156113
CC1(CCN2C1=NC(=C2)NC3=NC(=NC=C3C(=O)NCC=C)NC4=CC=C(C=C4)NCCCCNC)O	PC-id_153340888	505.291	WHERVEFKROSPIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156114
s1c2c(CCC2)c(c1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(=O)OC	PC-id_4163056	505.303	FLUSCIGRRSZGBY-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-156115
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(n[nH]c4=O)CC3)C(=O)O)cc2)c(Cl)cnc1	SCHEMBL4512943,PC-id_69074191	505.311	YMSMJUZTTDKHOI-GJZGRUSLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156117
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(n[nH]c4=O)CC3)C(=O)O)cc2)c(Cl)cnc1	PC-id_11706100	505.311	YMSMJUZTTDKHOI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156118
CC1CCN2C1=NC(=C2)NC3(C(=CNC(=N3)NC4=CC=C(C=C4)N5CCN(CC5)C)C(NCC=C)O)C	PC-id_148595597	505.328	NBMKKFUAIVCAOQ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-156119
c1(NC(=S)NNC(=O)c2nn(cc2I)C)sc2c(CCC2)c1C(=O)OC	MCULE-2662709910,CoCoCo_1001019,PC-id_2210960,TIMTEC354709,EMOLS-id_2472714	505.354	OHINOZZUILKHBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-156120
Clc1c(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)ccc(Cl)c1	PC-id_44053769	505.417	NKBRBBVSJARGMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156121
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2ccccn2)c(c1F)C(F)(F)F	SCHEMBL17222972,BindingDB-id_435301,PC-id_118483448	505.44	ATUWTLTWUJDGJA-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-156122
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2cccnc2)c(c1F)C(F)(F)F	BindingDB-id_435302,PC-id_118483351,SCHEMBL17222884	505.44	AUBAPOMVEQJTIV-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-156123
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2ccncc2)c(c1F)C(F)(F)F	BindingDB-id_435303,PC-id_118483357,SCHEMBL17222889	505.44	ZKCICMGTYICZNJ-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-156124
O=C(c1nn(c2c1CNC2)C(=O)c1cccnc1)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F	SCHEMBL17222974,PC-id_118483450	505.44	JOFAYCKICCNPJX-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-156125
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2ccc(cc2)C)c1	PC-id_20173041	505.451	MRBCWVQOWNIBMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156126
O=C(C(=O)c1c2CCCn2c(c1C)C(=O)Nc1cccc(c1)OC(F)(F)F)NC1(CC1)C1=C[NH2+]NN1	PC-id_142295114	505.47	TUDGRBVEWSWWSH-UHFFFAOYSA-O	00100011100000110001100010000000000000000000000000000000	25-01-156127
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)OC)NC=O)C	SCHEMBL12640248,PC-id_88939969	505.494	VNUXUXVTBPHZCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156128
COc1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68988236,SCHEMBL4288025	505.494	XTBBVQGTVFHCGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156129
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCNC(C1)C(=O)OCc1ccc(cc1)C(=O)c1ccccc1	PC-id_89437398,SCHEMBL14775268	505.522	BQWRUGDSFWDKNX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156130
O1C(CN2CCN(CC2)C(=O)OCc2ccc(cc2)C(=O)c2ccccc2)(Cn2c1nc([N+](=O)[O-])c2)C	SCHEMBL5541272,PC-id_23081402	505.522	HCZPEJKGXGJGTI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156131
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCCCO)nccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524054	505.538	MSAZUGKWXBSLIF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156132
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OCC	PC-id_4578001	505.542	UKIRYODMQUQKMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156133
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)OCC	PC-id_9677502	505.542	UKIRYODMQUQKMX-JFLMPSFJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156134
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccc(cc2)C)cc1)C(=O)OC	PC-id_3316335	505.542	NHPDNYSYERALJS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156135
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(cc2)C)cc1)C(=O)OC	PC-id_9664075	505.542	NHPDNYSYERALJS-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156136
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_3270705	505.542	HHJNDOMUJYMIQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156137
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_9662203	505.542	HHJNDOMUJYMIQL-JFLMPSFJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156138
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2ccc(cc2)C)ccc1)C(=O)OC	PC-id_19661789	505.542	JGCYDIHKQGUTJU-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156139
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2ccc(cc2)C)ccc1)C(=O)OC	PC-id_73636215	505.542	JGCYDIHKQGUTJU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156140
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2ccccc2)cccc1)C)C(=O)OC	PC-id_3628043	505.542	BZPHDWQZYXDDNU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156141
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2ccccc2)cccc1)C)C(=O)OC	PC-id_9628618	505.542	BZPHDWQZYXDDNU-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-156142
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2cc(ccc2)C)cccc1)C(=O)OC	PC-id_3479538	505.542	CPWRPBXRGQFNHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156143
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2c(cccc2)C)cccc1)C(=O)OC	PC-id_4245076	505.542	ZDDOVAPIGVZABX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156144
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2cc(ccc2)C)cccc1)C(=O)OC	PC-id_9622521	505.542	CPWRPBXRGQFNHA-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156145
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2c(cccc2)C)cccc1)C(=O)OC	PC-id_9654573	505.542	ZDDOVAPIGVZABX-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156146
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCNC(=O)OC1CN(C1)C)C	SCHEMBL18587479	505.544	KBPRQEBYJOPEFC-JOCHJYFZSA-N	00001010100000000001000010000000000000000000000000000000	25-01-156147
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCNC(=O)OC1CN(C1)C)C	SCHEMBL18587480	505.544	KBPRQEBYJOPEFC-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-156148
CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1csc2c1CCC2)c1coc(n1)N	PC-id_101614528	505.547	JHTRVSHXDBPENQ-ZIUXXJJSSA-O	00001010100011000001001010000000000000000000000000000000	25-01-156149
S1C2N(C(=O)C2NC(=O)C(=NO)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)O	PC-id_75298816	505.551	NRYJLWCBLBJUPZ-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-156150
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NO)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)O	PC-id_49833159	505.551	NRYJLWCBLBJUPZ-CXAGYDPISA-O	00001010100011000001001010000000000000000000000000000000	25-01-156151
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_5013261	505.564	UJSGDUCZBCPAEG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156152
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(OCC)cc1)C(=O)OCC	PC-id_4319120	505.564	CLUFQMCXTQNMOS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156153
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n(nc2NC(=O)c1cccc(c1)[N+](=O)[O-])C)C	SCHEMBL17878632,PC-id_121443946	505.569	LWXNQIMWBMBGMB-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156154
c1(NC(=O)CNC(=O)c2cc(c(OC)c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385427,MCULE-9170982018	505.584	UFYHGSVIYHDVAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156155
c1(NC(=O)COc2cccc(c2)NC(=O)c2cc(cc(OCC)c2)OCC)sc2c(CCC2)c1C#N	EMOLS-id_323223465,MCULE-6099488513	505.585	TYPTWGQSPOCZLM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156156
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2ccccc2)cc1)C)C(=O)OCC	PC-id_4446701	505.585	AKRDZCUAXYDIJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156157
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2ccccc2)cc1)C)C(=O)OCC	PC-id_9671024	505.585	AKRDZCUAXYDIJH-STBIYBPSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156158
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(cccc2)C)cc1)C(=O)OCC	PC-id_19659774	505.585	FQJHPHGEIGNFQJ-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-156159
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(cc2)C)cc1)C(=O)OCC	PC-id_19661435	505.585	VEKZJIPYXBGBTL-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-156160
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCc2c(cccc2)C)cc1)C(=O)OCC	PC-id_73634253	505.585	FQJHPHGEIGNFQJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156161
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(cc2)C)cc1)C(=O)OCC	PC-id_73635868	505.585	VEKZJIPYXBGBTL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156162
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2ccc(cc2)C)ccc1)C(=O)OCC	PC-id_19659841	505.585	GFTUWRDNOSDCHZ-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-156163
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2c(cccc2)C)ccc1)C(=O)OCC	PC-id_19660430	505.585	JRSBMJNBVYTXPD-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-156164
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2ccc(cc2)C)ccc1)C(=O)OCC	PC-id_73634317	505.585	GFTUWRDNOSDCHZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156165
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2c(cccc2)C)ccc1)C(=O)OCC	PC-id_73634887	505.585	JRSBMJNBVYTXPD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156166
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-7665651089,EMOLS-id_331929882	505.589	CXBIYIMVWKRJIM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156167
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_331919902,MCULE-3976764821	505.589	MVVCFXZFMAUCNR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156168
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-5365204728,EMOLS-id_331926041	505.589	JCXYFIKRBUIJAN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156169
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-2289108591,EMOLS-id_332716877	505.589	JGVGWQGBNZDPLX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156170
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)NC(=O)C)CC)sc2CCCc2c1C#N	EMOLS-id_332716611,MCULE-9072337159	505.589	FFXJGHVUCYHNOB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156171
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)NC(=O)C)CC)sc2CCCc2c1C#N	MCULE-7423092461,EMOLS-id_332714051	505.589	AXZNNNJZRXGUST-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156172
c1(NC(=O)COc2nonc2CC(=O)N2CCC(CC2)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-4024354154,EMOLS-id_333691686	505.589	GHARKUNACBUHSF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156173
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccccc3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053591	505.589	HHOMILSRTLPJGZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156174
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(OC)cc3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053452	505.589	NJDNONQALMOLSO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156175
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(OC)ccc3)n(nc2C1)CC(=O)NCc1ccccc1	PC-id_44053451	505.589	JPPPVNHFWYOQDO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156176
c1(NC(=O)CN2CCN(CC2)c2nnc(c(=O)[nH]2)Cc2ccc(cc2)OC)sc2c(CCC2)c1C#N	EMOLS-id_322525794,MCULE-9044362741	505.592	NFOYVCJEZFVLIM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156177
c1(NC(=O)CN2CCN(CC2)c2nnc(c(=O)[nH]2)Cc2ccccc2OC)sc2c(CCC2)c1C#N	MCULE-7999996804,EMOLS-id_322526050	505.592	NPRLRHUECZOULH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156178
c1(NC(=O)CN2CCN(CC2)c2nnc(c(=O)[nH]2)Cc2cccc(OC)c2)sc2c(CCC2)c1C#N	MCULE-1901667091,EMOLS-id_322526306	505.592	ROXOBBCTXWHVCX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156179
O=C(Cc1ccc(cc1F)S(=O)(=O)C)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)F	SCHEMBL18367858	505.6	FRRAZQXSLDKGIA-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156180
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)[O-])C(=O)/C(=C(/OC(C)(C)C)O)/S2	GLL_PC-id_44210096	505.605	ADGZHALRKVLXLY-PNHLSOANSA-M	00000010100000110001100010000000000000000000000000000000	25-01-156181
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CC1COC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678262,PC-id_137440952	505.607	SGIJOLAEEFTZLJ-HSZRJFAPSA-N	00001010100000000000000010000000000000000000000000000000	25-01-156182
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CC1COC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678263,PC-id_137440953	505.607	SGIJOLAEEFTZLJ-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-156183
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)[C@@H]1CCOC1)(C(=O)NO)S(=O)(=O)C	PC-id_137440911,SCHEMBL20678213	505.607	ILHGHVVTMKNGCA-WZONZLPQSA-N	00001010100000000000100010000000000000000000000000000000	25-01-156184
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)[C@H]1CCOC1)(C(=O)NO)S(=O)(=O)C	PC-id_137440924,SCHEMBL20678231	505.607	ILHGHVVTMKNGCA-FDDCHVKYSA-N	00001010100000000000100010000000000000000000000000000000	25-01-156185
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)[C@H]1CCOC1)(C(=O)NO)S(=O)(=O)C	PC-id_137440926,SCHEMBL20678233	505.607	ILHGHVVTMKNGCA-XNUZUHMRSA-N	00001010100000000000100010000000000000000000000000000000	25-01-156186
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)[C@@H]1CCOC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678216,PC-id_137440912	505.607	ILHGHVVTMKNGCA-FKSKYRLFSA-N	00001010100000000000100010000000000000000000000000000000	25-01-156187
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C1CC(C1)O)C	SCHEMBL20678214	505.607	OCZHXEQJMVMSQQ-QPFKGPCDSA-N	00001010100000000000100010000000000000000000000000000000	25-01-156188
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C1CC(C1)O)C	SCHEMBL20678217	505.607	OCZHXEQJMVMSQQ-UHFFFAOYSA-N	00001010100000000000100010000000000000000000000000000000	25-01-156189
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)[C@@H]1C[C@H](C1)O)C	SCHEMBL20678215	505.607	OCZHXEQJMVMSQQ-PMAPCBKXSA-N	00001010100000000000100010000000000000000000000000000000	25-01-156190
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)[C@@H]1C[C@@H](C1)O)C	SCHEMBL20678282	505.607	OCZHXEQJMVMSQQ-IEGUWTFLSA-N	00001010100000000000100010000000000000000000000000000000	25-01-156191
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OCC)c1ccc(cc1)C	PC-id_16923797	505.607	PGEGPSDDMJDFOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156192
CCCc1ccc(cc1)N(C1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C	SCHEMBL2089983,PC-id_5278888	505.609	FKSLRDHBDOJPFW-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156193
CCCc1ccc(cc1)N(C1CCN(CC1)c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C	SCHEMBL2089987,PC-id_67274489	505.609	FKSLRDHBDOJPFW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156194
N#Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6377598,PC-id_59508158	505.612	BDROYNJJQUTJAO-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156195
N#Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6378531,PC-id_59508267	505.612	UXZDEAGPWNXBDF-SFHVURJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156196
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4cc(ccc4)C#N)c3C2)(C)C)C)CC1	PC-id_72310299	505.612	BDROYNJJQUTJAO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156197
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4ccc(cc4)C#N)c3C2)(C)C)C)CC1	PC-id_72310401	505.612	UXZDEAGPWNXBDF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156198
Cn1ncc(c1)Nc1nc(cnc1C(=O)N)N1CCC[C@H]([C@H]1C)NC(=O)c1cc2c(n1C)CC(C2)(C)C	SCHEMBL18283566	505.615	YEBYRQOTQIPNAT-CRAIPNDOSA-N	00000010100010100001100010000000000000000000000000000000	25-01-156199
O(C(=O)c1c(N/N=C/C(=Nn3c(nnc23)C(CCCC)CC)C(C)(C)C)n(nc1)c1ncccc1)CC	PC-id_59702934	505.615	RBKKGRBPLPLLCE-BRPDVVIDSA-N	00000011100000101001100010000000000000000000000000000000	25-01-156200
O(C(=O)c1c(NN=C2C(=Nn3c(nnc23)C(CCCC)CC)C(C)(C)C)n(nc1)c1ncccc1)CC	PC-id_59863539	505.615	RBKKGRBPLPLLCE-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-156201
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)CCCC)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334339497,MCULE-9907585950	505.628	VIWWPPXMCVASHU-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156202
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5864380424,EMOLS-id_334336938	505.628	BEHMJNUKPIIBMW-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156203
c1(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334333344,MCULE-1514229321	505.628	YXNCMDSWCVBJRB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156204
n12nc(nc1sc(=Cc1ccc(OCCC)c(OCC)c1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-4644753617	506.402	RDTCJMMZHFNKFV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156277
CCCCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1	ZINC22_97946789,EMOLS-id_45965727	505.628	OYABRSWPPBMEQD-DHFYGYITSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156205
n12nc(nc1sc(=Cc1ccc(cc1)OCCCCCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-1494183518	505.628	OYABRSWPPBMEQD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156206
s1c2c(nc1NC(=O)c1cc(OC)cc(OC)c1)C(C(=O)N1CCC(CC1)Cc1ccccc1)CC2	PC-id_16947979	505.628	TYMYQWNXQCBYFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156207
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332714828,MCULE-1561397417	505.632	RLMDSRBWSSSCNE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156208
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332716875,MCULE-6886839623	505.632	NYVCEIIXSQBQQJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156209
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332717644,MCULE-1492987842	505.632	PRSQUMWEINRIRA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156210
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CCC)sc2CCCc2c1C#N	MCULE-9915543874,EMOLS-id_332710728	505.632	BFNAUXUNZIGFAS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156211
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332717132,MCULE-6675737770	505.632	RSOQCEFHBAMOOK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156212
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CCC)sc2CCCc2c1C#N	MCULE-3256580827,EMOLS-id_332712007	505.632	KACNGNCUHISKHQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156213
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCc2ccncc2)CC)sc2CCCc2c1C#N	EMOLS-id_331923735,MCULE-8052376565	505.632	ICESKJAEXRCFOD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156214
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-9246355391,EMOLS-id_331928603	505.632	SFTTXSYJAPHQPL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156215
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-6822495849,EMOLS-id_331922718	505.632	ZJJORCLSNBNKQW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156216
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-9191171482,EMOLS-id_331924762	505.632	RERDJRNZODYSSH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156217
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC1=C(F)C=NC(N1)(N)CC	PC-id_118525397	505.632	IYXIEZMMNROXEN-XETREBGKSA-N	00000010100011000001000010000000000000000000000000000000	25-01-156218
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC1=NC(N)(CC)NC=C1F	SCHEMBL17275091	505.632	WZAYAWSDYBILBF-XETREBGKSA-N	00000010100011000001000010000000000000000000000000000000	25-01-156219
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661432,PC-id_3287489,MCULE-4978933453,EMOLS-id_16381925	505.633	BFGUWRVHGFQKTI-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-156220
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331789499,MCULE-6333530713	505.65	QKYCTJDQXPUUMT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156221
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCCCCO)sc2CCCc2c1C#N	EMOLS-id_331788735,MCULE-5698104578	505.65	ULGUGIWRIWCVBV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156222
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-1956231225,EMOLS-id_331791801	505.65	OKQMDAFSHRSNEA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156223
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)CC1CCC(CC1)C(=O)OC	PC-id_134170852	505.65	NIMQLDVFYYYMSA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156224
COC(=O)[C@@H]1CC[C@@H](CC1)CN1Cc2c(C1)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19772022	505.65	NIMQLDVFYYYMSA-HDICACEKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156225
CC1(c2c(CN1C(=O)Nc1cccc(c1)c1ccccc1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_134426758,SCHEMBL20060367	505.675	KCSNRPLQVCIXNV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-156226
CC1(c2c(CN1C(=O)Nc1ccccc1c1ccccc1)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195375,SCHEMBL20348500	505.675	ZFTHNBOGXJMMGE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-156227
CCc1noc(c1)C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)OC(C)(C)C)COCC[Si](C)(C)C	SCHEMBL6374854,PC-id_69757940	505.682	LWVWPCUUXSYZJE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-156228
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)O	PC-id_134170987	505.693	ZOPJIRDQDVJNFB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156229
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CC[C@H](CC1)O	SCHEMBL19772165	505.693	ZOPJIRDQDVJNFB-MEQCVUQCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156230
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](CC1)O	SCHEMBL18367862	505.693	ZOPJIRDQDVJNFB-JXQFQVJHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156231
CCCCCCCC/C=C/CCCCCCCCOC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_101439887	505.731	WVUGRRZHBRZQMZ-RWYJGDMMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156232
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)C	MCULE-8332053817	505.772	USWMKTKVKDPADA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156233
C=CC1=C(C=C)C(CN1C(=C)Cn1c(C)c(c2=S(=C(C=c12)N)(C)C)Sc1cccc(c1)C)(C)CC	PC-id_144818292	505.781	NTSOTWCJZFIYMI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-156234
NC(=O)c1c(NC(=S)NC(=O)c2cc(I)ccc2Cl)sc2c1CCC2	PC-id_4504962,ZINC22_16385304	505.781	SJYFIULSWIHMBA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156235
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)c(Cl)cc1	PC-id_44053414	505.815	SMCRQPAKHZAPBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156236
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)C	MCULE-9268062969	505.955	NSIIHQGRGPOEFJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156237
COc1cc(/C=c/2sc3nc(COc4ccccc4Cl)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324885001	505.973	OJQMMIBTAXBVGV-UCQKPKSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156238
COc1cc(/C=c/2sc3nc(COc4ccc(Cl)cc4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_324843262	505.973	LKKJMCOIXZXMDH-UCQKPKSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156239
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-1951257707	505.973	RZGATOMYOSVVSU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156240
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-4107924392	505.973	KXIOABPFJKCRJH-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156241
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-9713143052	505.973	CRHXMJMORRJBNR-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156242
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1ccccc1Cl	MCULE-2356413989	505.973	OJQMMIBTAXBVGV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156243
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1ccc(Cl)cc1	MCULE-4751006416	505.973	LKKJMCOIXZXMDH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156244
Brc1c2n(CCC2C(=O)OC)c(c1Br)C(=O)c1c(Br)cccc1	SCHEMBL11001646,PC-id_20405036	505.983	BNSGZYQNHZTZRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156245
Brc1cc(Br)c(c(c1)C(=O)c1n(C)c2c(c1C)OC(=O)C2C)Br	SCHEMBL7677989,PC-id_54511321	505.983	YJHXWORTIJRDAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156246
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2ccccc2C)sc2c(CCC2)c1C(=O)OC	PC-id_19119699,MCULE-7778595298	505.994	HYDXAZLCKYRKMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156247
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2cccc(C)c2)sc2c(CCC2)c1C(=O)OC	MCULE-4074526054,PC-id_19119844	505.994	JPFFKNGJNGHGQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156248
c1(NC(=O)C2CC(=O)N(c3c(OC)ccc(Cl)c3)C2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385432,MCULE-3804831064	506.014	FIQKYUSTGVFVBM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-156249
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NS(=O)(=O)c1ccc(cc1)CC(=O)O	PC-id_87056603,SCHEMBL19771987	506.037	RZTXPXTUKBLHDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156250
CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NS(=O)(=O)c3ccc(CC(=O)O)cc3)nc12	BindingDB-id_722810,BindingDB_PC-id_87056603,SCHEMBL16224723	506.037	RZTXPXTUKBLHDC-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156251
OC(=O)Cc1ccccc1S(=O)(=O)Nc1sc2c(n1)C(N(C2)Cc1ccc(cc1)Cl)C(C)C	SCHEMBL16213563,PC-id_117680232	506.037	BPIJXNOBQZLDRY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156252
Clc1c(CC(=O)N2C(c3[nH]cc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)cccc1	PC-id_70375653,SCHEMBL10476043	506.039	UBEKOCJHGFWKCF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156253
CC(C1N(Cc2ncc(cn2)Cl)Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C	PC-id_134170865,SCHEMBL19772035	506.041	DFOPWGBEGHQCFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156254
CC(C)[C@H]1c2c(CN1Cc1ncc(cn1)Cl)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	PC-id_134166998,SCHEMBL19767338	506.041	DFOPWGBEGHQCFU-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156255
CC[C@H]1c2c(CN1Cc1ncc(cn1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19767347,PC-id_134167007	506.041	HHANFDSIUAMBIK-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156256
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ncc(cn1)Cl)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368038	506.041	KSHNWECYONQQCH-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156257
CC1(CCC(CC1)C(=O)O)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_164957802	506.142	BKIWVNZIWWOQAF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156258
CCC(=O)C1(CC(C1)(F)F)CC(=O)C(=O)C2=C3CCCN3C(=C2)C(=O)NC4=CC(=C(C=C4)C)C(F)F	PC-id_160334185	506.183	SDJDMVJQQZZWCK-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156259
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)/C(=C/N)/NN)C(=O)NC4=CC(=CC=C4)OC(F)(F)F	PC-id_147679184	506.189	VWTMJGQMTJNOLH-WJDWOHSUSA-N	00100010100000110000000010000000000000000000000000000000	25-01-156260
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C(=CN)NN)C(=O)NC4=CC(=CC=C4)OC(F)(F)F	PC-id_161421250	506.189	VWTMJGQMTJNOLH-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-156261
C[C@@H]1[C@@H](CCCN1C2=NC(=C(N=N2)C(=O)N)NC3=CN(N=C3)C)NC(=O)C4=CC5=C(N4C)CC(C5)(C)C	PC-id_153070591	506.287	VLGUNCTZGSQVFW-RHSMWYFYSA-N	00000010100010100001100010000000000000000000000000000000	25-01-156262
Brc1c2n(CCC2(C(=O)OC)C(=O)OC)c(c1CC)C(=O)c1cc(ccc1)C(=O)OCC	SCHEMBL11260740,PC-id_54447150	506.343	WSHZKSSQYDGGGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156263
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-8892464842	506.371	XBIPKFAPPMCGCQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156264
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(cc1)OC	MCULE-8461384171	506.371	WUGBVXBSNQHVAM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156265
Fc1cc(Br)ccc1/C=c/1sc2nc(CC(c3ccccc3)c3ccccc3)nn2c1=O	EMOLS-id_324831993	506.389	ZGUIAGKUGPTEEJ-XKZIYDEJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156266
Fc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1Br	EMOLS-id_324833013	506.389	USRPHCXUIDTGMH-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156267
n12nc(nc1sc(=Cc1ccc(Br)cc1F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-2341739547	506.389	ZGUIAGKUGPTEEJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156268
n12nc(nc1sc(=Cc1ccc(c(Br)c1)F)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-5391669086	506.389	USRPHCXUIDTGMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156269
CCCOc1ccc(/C=c/2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1OCC	EMOLS-id_324846327	506.402	RDTCJMMZHFNKFV-JAIQZWGSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156270
CCCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1OC	EMOLS-id_324912141	506.402	ZHZVAENHLAQZIG-JAIQZWGSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156271
CCOc1cc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)ccc1OC	EMOLS-id_324915717	506.402	RTUFCAYQPBNZRJ-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156272
CCOc1ccc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1OC	EMOLS-id_324916741	506.402	AHPFLNOTQZZHSA-NDENLUEZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156273
CCOc1ccc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc1OCC	EMOLS-id_324911629	506.402	OAKAUFQMFVSSDL-JAIQZWGSSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156274
n12c(=O)c(=Cc3ccc(OCCC)c(OC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5916083297	506.402	ZHZVAENHLAQZIG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156275
n12c(=O)c(=Cc3ccc(OCC)c(OCC)c3)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-9557561767	506.402	OAKAUFQMFVSSDL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156276
n12nc(nc1sc(=Cc1ccc(OCC)c(OC)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-1965670254	506.402	AHPFLNOTQZZHSA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156278
n12nc(nc1sc(=Cc1ccc(OC)c(OCC)c1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-8227036997	506.402	RTUFCAYQPBNZRJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156279
CCC(N=C(c1sc(c2c1CCC2)C(=O)O)CC(C(F)(F)F)(c1cc(Cl)cc(c1)Cl)C)C	PC-id_144476687	506.408	HILLXCXEBMYXJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156280
Clc1c(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)cccc1Cl	PC-id_73382695	506.425	FMLOEYPGEIMGRD-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156281
Clc1c(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)ccc(Cl)c1	PC-id_73382707	506.425	YFNAAQFELBHUGX-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156282
Clc1cc(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)cc(Cl)c1	PC-id_73382716	506.425	AOYFXFBRDZGYKQ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156283
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c3cccc(Cl)c3Cl)o2)sc2c1CCC2	ZINC22_57316589,PC-id_17334607	506.425	FMLOEYPGEIMGRD-CSKARUKUSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156284
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCC2	PC-id_17334619,ZINC22_57316591	506.425	YFNAAQFELBHUGX-RMKNXTFCSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156285
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c3cc(Cl)cc(Cl)c3)o2)sc2c1CCC2	ZINC22_57316633,PC-id_17334691	506.425	AOYFXFBRDZGYKQ-FNORWQNLSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156286
Cc1csc2nc(C)c(/C=c/3sc4nc(CCCOc5ccc(Cl)cc5Cl)nn4c3=O)n12	EMOLS-id_324918274	506.428	CMUOJKCKAZJFQD-MFOYZWKCSA-N	00000000100000110001000110000000000000000000000000000000	25-01-156287
n12nc(nc1sc(=Cc1c(C)nc3scc(C)n13)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-7056287938	506.428	CMUOJKCKAZJFQD-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-156288
Cc1c(n2CCCc2c1C(C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)O)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL20259536,PC-id_134604976	506.453	IPSJSFGKIYTYMS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-156289
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/N=NNC=C)F)C(=O)Nc1ccc(cc1)F	SCHEMBL19920651,PC-id_134302933	506.453	GNSSVSQKTNOXKJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156290
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C1CN=NN1)F)C(=O)Nc1ccc(cc1)F	SCHEMBL19920823,PC-id_134303097	506.453	PMPFIGAIWXCTKL-JBZHPUCOSA-N	00001011100000110001100010000000000000000000000000000000	25-01-156291
c1(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5803302873,EMOLS-id_334333100	506.461	PAVYJJTWZFJKHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156292
Brc1cc(c(OCCCCCC)cc1)C(=O)NC(=S)Nc1sc2CCCc2c1C#N	PC-id_17343770	506.479	GFFCKGJMAGDKMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156293
Brc1c(OCCCCCC)ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	PC-id_4959883	506.479	ZCCMZOYKVLLWIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156294
FC(CC1=C(C(c2n1nc(c2C(=O)c1ccccc1)C(F)(F)C(F)(F)F)(C)C)C)c1ccc(cc1)C	PC-id_16080301	506.483	PZKJTNYISDKFDE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156295
OCC(=O)Nc1ccc(cc1F)C#Cc1cc2n(c1)C(=O)N(C2)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729985	506.504	HLQGYNLTEVQWFK-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156296
OCC(=O)Nc1ccc(cc1F)C#Cc1cc2n(c1)C(=O)N(C2)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729988	506.504	HLQGYNLTEVQWFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156297
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C([Si](C)(C)C)(C)C)Nc1c(C)cccc1Br	PC-id_140882912	506.511	KPZRGTSOCYYRKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156298
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1Cc2c(C1=O)scc2NC(=O)C(F)(F)F)OC	PC-id_137355440,SCHEMBL20579899	506.516	KLNDLEOVVIVOTI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156299
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1Cc2c(C1=O)scc2NC(=O)C(F)(F)F)OC	PC-id_137355439,SCHEMBL20579898	506.516	KLNDLEOVVIVOTI-CQSZACIVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156300
OCCCNc1ncccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749876,SCHEMBL1371371	506.526	PDBOQJVIWNRJFQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156301
Fc1ccc(c(c1NC(=O)c1cc2c(s1)CC(C2O)(C)C)C)c1n[nH]c(=O)c(c1)Nc1ccncn1	SCHEMBL2465844,PC-id_58540341	506.552	MTIGGTNAMAEHSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156302
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CC(CO)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485103,PC-id_135315595	506.572	SNTBDOMXEFVHTL-HSZRJFAPSA-N	00001010100000000001000010000000000000000000000000000000	25-01-156303
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN1CCOCC1	SCHEMBL12879417,PC-id_58015597	506.572	ZRIYNODNHQIWMG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156304
OCC(CN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C)CO	SCHEMBL20485107	506.572	SNTBDOMXEFVHTL-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-156305
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331931666,MCULE-3345841966	506.573	FPCOKGYKWNXGNV-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-156306
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333689897,MCULE-7809672561	506.577	RFMJYSABAWKNAY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156307
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)N2CCCCC2)sc2CCCc2c1C#N	EMOLS-id_333648529,MCULE-9889747912	506.577	ZMGCOCUAQXKUNY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156308
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)N2CCC(C)CC2)sc2CCCc2c1C#N	MCULE-9091846771,EMOLS-id_333678583	506.577	XNPDYIYOKCMBBX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156309
c1(NC(=O)COc2nonc2C(=O)NCC(c2ccccc2)N2CCCC2)sc2CCCc2c1C#N	MCULE-1421704025,EMOLS-id_333715773	506.577	QWQQALUIODQFDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156310
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccccc2F)sc2CCCc2c1C#N	EMOLS-id_331930143,MCULE-3919366482	506.592	HWRXGXNSBLXJBY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156311
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-1025955421,EMOLS-id_331927058	506.592	OBUWQRRGIWBLIU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156312
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(F)cc2)nn1)C(=O)OCC	PC-id_23881562	506.593	VCYNAMMERRBVPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156313
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(F)ccc2)nn1)C(=O)OCC	PC-id_23934523	506.593	DJZSEZMCQPEVBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156314
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(F)cccc2)nn1)C(=O)OCC	PC-id_24042971	506.593	GWXQIFUGIPTTPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156315
N#Cc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1	PC-id_59508290,SCHEMBL598595	506.6	FXTTTXVNCXGEBA-SJORKVTESA-N	00000010100010101001100010000000000000000000000000000000	25-01-156316
O1CCC(N2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(cc4)C#N)c3C2)(C)C)C)CC1	PC-id_72310423	506.6	FXTTTXVNCXGEBA-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-156317
c1(NC(=O)C=Cc2cc(OC)c(c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9300620434	506.613	NTKGRWIZXUGLPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156318
COc1cc(/C=C/C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)cc(OC)c1OC	EMOLS-id_334331302	506.613	NTKGRWIZXUGLPJ-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156319
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)Cc2ccco2)sc2CCCc2c1C#N	MCULE-2860602568,EMOLS-id_331927070	506.616	RDQNIRJJVSIFST-UHFFFAOYSA-N	00000010101010101000000010000000000000000000000000000000	25-01-156320
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331924767,MCULE-5402133528	506.616	NPUMXVZYHSFIHW-UHFFFAOYSA-N	00000010101010101000000010000000000000000000000000000000	25-01-156321
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-1247290665,EMOLS-id_331925535	506.616	YIXRUUULYYLJIS-UHFFFAOYSA-N	00000010101000101100000010000000000000000000000000000000	25-01-156322
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332714055,MCULE-3018032573	506.616	TVKYYHGEQBRUNB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156323
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCCO)sc2CCCc2c1C#N	EMOLS-id_332714827,MCULE-3690838795	506.616	YJUXGIZSUZRYHI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156324
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CC(C)O)sc2CCCc2c1C#N	MCULE-3673585233,EMOLS-id_332717639	506.616	DZRRLOGEZWWEIA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156325
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCCCO)sc2CCCc2c1C#N	MCULE-5356420288,EMOLS-id_332714060	506.616	ZUHHXYKTGOWZDS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156326
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCCO)sc2CCCc2c1C#N	MCULE-6031394252,EMOLS-id_332715338	506.616	ISTMGLAVWHWPKI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156327
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CCO)sc2CCCc2c1C#N	MCULE-8296932543,EMOLS-id_332717903	506.616	JMXPYKRTUQHZTD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156328
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCCOC)sc2CCCc2c1C#N	EMOLS-id_332711759,MCULE-3605565165	506.616	QSUDBRMITAULGY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156329
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCOC)sc2CCCc2c1C#N	EMOLS-id_332712011,MCULE-4037295288	506.616	ZWEVVOJFJZUVPR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156330
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCOC)sc2CCCc2c1C#N	MCULE-1851246227,EMOLS-id_332711500	506.616	RNRYLVUXZRDRFG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156331
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCCOC)sc2CCCc2c1C#N	MCULE-8424940481,EMOLS-id_332713294	506.616	VMMCRRHRUZWBJB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156332
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_332712526,MCULE-4838821293	506.616	YTXANLMSGZMANZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156333
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCCC)sc2CCCc2c1C#N	EMOLS-id_332710989,MCULE-1039065255	506.616	QITGMULQHHBOLK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156334
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332712009,MCULE-8135129049	506.616	KZLPPDGQTDUVNB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156335
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CCC)sc2CCCc2c1C#N	EMOLS-id_332713030,MCULE-7824234630	506.616	FKEWGECIAGBPFA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156336
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCCO)sc2CCCc2c1C#N	EMOLS-id_332715339,MCULE-7732856941	506.616	AKHJCVFWOBVZPN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156337
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCCO)sc2CCCc2c1C#N	EMOLS-id_332715595,MCULE-7133306529	506.616	FGRMFPAQKLTBOZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156338
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CC(C)O)sc2CCCc2c1C#N	MCULE-2893013816,EMOLS-id_332714056	506.616	CMYZQJQBTGOZSP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156339
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CC(C)O)sc2CCCc2c1C#N	MCULE-6831930021,EMOLS-id_332714312	506.616	PWGKLUZCOKDQMZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156340
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CC(C)O)sc2CCCc2c1C#N	MCULE-7412833854,EMOLS-id_332717895	506.616	GTMIZRKCZDMNSV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156341
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCCO)sc2CCCc2c1C#N	MCULE-9658543862,EMOLS-id_332715083	506.616	SHPAZQSRIZDXOT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156342
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_332711247,MCULE-4195176572	506.616	CEYZKMNXWNLRPQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156343
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCOC)sc2CCCc2c1C#N	EMOLS-id_332712012,MCULE-4691776244	506.616	OOMALJUEIIPAMV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156344
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCOC)sc2CCCc2c1C#N	MCULE-4452413288,EMOLS-id_332712268	506.616	PNVCQMLVNIOFOE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156345
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCOC)sc2CCCc2c1C#N	MCULE-6792322328,EMOLS-id_332711756	506.616	RFMQEKGJCWUWNU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156346
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCCO)sc2CCCc2c1C#N	EMOLS-id_332714570,MCULE-8246132632	506.616	ZXLLDYNUVMSADW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156347
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332716358,MCULE-6519816678	506.616	WVOCCKXMZJLGOK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156348
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332717382,MCULE-1246892022	506.616	DKAADVWXQUYVIA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156349
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCCO)sc2CCCc2c1C#N	MCULE-8011019966,EMOLS-id_332717641	506.616	UAUGWPBVSUGVDA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156350
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCOC)sc2CCCc2c1C#N	EMOLS-id_332710219,MCULE-8484591156	506.616	SOLWCPZXJPMDLM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156351
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCOC)sc2CCCc2c1C#N	EMOLS-id_332711243,MCULE-5882684060	506.616	QTSLAJNGIRNWST-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156352
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CCO)sc2CCCc2c1C#N	EMOLS-id_332714574,MCULE-1504679460	506.616	DARMBHVIEIWSFJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156353
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCCC)sc2CCCc2c1C#N	EMOLS-id_332713549,MCULE-6217850715	506.616	IUODZQYYGSFQEN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156354
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CC(C)C)sc2CCCc2c1C#N	MCULE-3804721433,EMOLS-id_332710474	506.616	VJYNQFMRFNASTA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156355
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CCC)sc2CCCc2c1C#N	MCULE-1525414342,EMOLS-id_332713544	506.616	XLNPBNUFBKLZCY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156356
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331927325,MCULE-4312525601	506.616	ZJRVEVBFKSLBET-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156357
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCCO)sc2CCCc2c1C#N	EMOLS-id_331930131,MCULE-6966125756	506.616	NPBXYPLPXLVWCS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156358
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCOC)sc2CCCc2c1C#N	EMOLS-id_331921431,MCULE-9804670336	506.616	BEELCPJDLNGHDA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156359
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331920159,MCULE-2858950745	506.616	DEFLKHBKLALRMZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156360
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccc(O)cc2)sc2CCCc2c1C#N	MCULE-8740138315,EMOLS-id_331932946	506.616	NFANHKLSLBQODN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156361
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-2139928644,EMOLS-id_331925009	506.616	VEAFXRZPRPCHMW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156362
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_331927322,MCULE-4621752371	506.616	PZNKEYMMWOJQMD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156363
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-7842355330,EMOLS-id_331932691	506.616	ZMWWCEPPYUSKBT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156364
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_331924505,MCULE-1967760271	506.616	YCASOEUKQZTGBK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156365
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-7080798686,EMOLS-id_331922459	506.616	CULXUJREMWUHGL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156366
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)Cc2ccccc2)CC)sc2CCCc2c1C#N	MCULE-3572279655,EMOLS-id_331924246	506.616	SCDIVVSVTBFYNG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156367
s1c2CCC(C(=O)N3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16947982	506.616	SYYZEFOKGZMILN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156368
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCn2ccnc2)sc2CCCc2c1C#N	MCULE-4346981628,EMOLS-id_331933714	506.62	IDBZMLWCRSNMNS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156369
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCc2c[nH]cn2)sc2CCCc2c1C#N	MCULE-5792380823,EMOLS-id_331923996	506.62	XMUMGHQTOAQPCP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156370
c1(NC(=S)NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-8369194970,PC-id_3627170,CoCoCo_6153792,EMOLS-id_1704328,ZINC22_9846246	506.635	SJETXPZUXKPAGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156371
CCOC(=O)c1c(NCC(=O)c2cccc(c2)S(=O)(=O)N2CC(C)OC(C2)C)sc2c1CCC2	PC-id_110829643	506.635	JWAIRDBUTMJDDI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156372
CCOC(=O)c1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CCC2	ZINC22_408575113	506.636	IHKILZMTTASAFO-AREMUKBSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156373
CCOC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CCC2	ZINC22_408575114	506.636	IHKILZMTTASAFO-SANMLTNESA-N	00000010100000110001100010000000000000000000000000000000	25-01-156374
COC(=O)c1c(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)sc2c1CCC2	ZINC22_408623197	506.636	DTFKBRSXPUVMFH-AREMUKBSSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156375
COC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)sc2c1CCC2	ZINC22_408623203	506.636	DTFKBRSXPUVMFH-SANMLTNESA-N	00000010100000110001100010000000000000000000000000000000	25-01-156376
CCCCNC1=C(C(=O)N2CCOCC2)C(=N)C(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S1	CHEMBL1867555,EMOLS-id_48981981,MCULE-5467576527	506.638	MFPFENXUYSJMDR-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-156377
CCCCNC1=C(C(=O)N2CCOCC2)C(=N)[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S1	CoCoCo_3778356,ZINC22_18036935,CoCoCo_3778359	506.638	MFPFENXUYSJMDR-GOSISDBHSA-N	00000011100010000001000010000000000000000000000000000000	25-01-156378
CCCCNC1=C(C(=O)N2CCOCC2)C(=N)[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S1	ZINC22_95536754,CoCoCo_3778357,CoCoCo_3778358	506.638	MFPFENXUYSJMDR-SFHVURJKSA-N	00000011100010000001000010000000000000000000000000000000	25-01-156379
CCCCN=C1S[C@H](C(=C1C(=O)N1CCOCC1)N)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_92539413	506.638	OTPOYJAQZKFCLG-GOSISDBHSA-N	00000011100010000001000010000000000000000000000000000000	25-01-156380
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1cc(Br)ccc1OCC)C(=O)OC	MCULE-4758409710,PC-id_73560672	508.382	VZIXXFMWSNTROE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156558
s1c2c(CCC2)c(c1NC(=O)C1SC(=NCCCC)C(=C1N)C(=O)N1CCOCC1)C(=O)OC	PC-id_4135796	506.638	OTPOYJAQZKFCLG-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-156381
s1c2c(CCC2)c(c1NC(=O)[C@H]1SC(=NCCCC)C(=C1N)C(=O)N1CCOCC1)C(=O)OC	PC-id_27806597	506.638	OTPOYJAQZKFCLG-SFHVURJKSA-N	00000011100010000001000010000000000000000000000000000000	25-01-156382
c1(NC(=O)c2ccc(c(OCC)c2)OCCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6168611009,EMOLS-id_334331309	506.656	JAIHVKRJPZHNHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156383
c1(NC(=O)COc2ccc(cc2C(C)(C)C)OC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331559,MCULE-4267860613	506.656	CQDZHRSSLJTROC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156384
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-3195892746,EMOLS-id_331932432	506.66	RCFBEOGYXFDFAY-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-156385
CC1(C)Cc2c(C1)nc(s2)Nc1nc(NCCS(=O)(=O)C)cc(c1)S(=O)(=O)c1ccccc1	SCHEMBL17398120,PC-id_118628382	506.661	MDDNVHJJFYUBGT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156386
CS(=O)(=O)CCNc1nc(Nc2nc3c(s2)C(CC3)(C)C)cc(c1)S(=O)(=O)c1ccccc1	SCHEMBL17398118,PC-id_118628380	506.661	QPLLGQHOXAORNI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156387
S=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2)NC1CCCCC1	PC-id_56622577,SCHEMBL11223917	506.661	PISJLTOOELARNU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156388
c1(sc2c(CCC2)c1C(=O)OC)NC(=S)N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1	TIMTEC602746,ZINC22_20220629,MCULE-9798662475,EMOLS-id_4175576,CoCoCo_6812265,PC-id_17376357	506.679	ZSEMXIVZPHXMMQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156389
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](OC1)C	PC-id_134166983,SCHEMBL19767323	506.681	UYJJAIZUZFXKFC-DGGJZMOXSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156390
CCCCC(CN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C(C)(C)C)C)CC(CCCC)CC)CC	PC-id_118300957	506.769	HVLIEOUTSBIKTL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156391
CCCCC(CN(c1ccc(cc1)/N=C
/C(=Nn2c1nc(n2)C(C)(C)C)C)CC(CCCC)CC)CC	SCHEMBL16999337	506.769	HVLIEOUTSBIKTL-BLCKFSMSSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156392
FC(F)c1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC3)c3c[nH]nn3)n3CCCc23)ccc1F	BindingDB-id_980759,PC-id_139507423,SCHEMBL21378286	506.865	UZXPYUUXLPGEGT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-156393
Clc1ccc(/C=C/C2=C(C(c3n2nc(c3C(=O)c2ccccc2)C(F)(F)C(F)(F)F)(C)C)C)cc1	PC-id_16080303	506.895	NUIWPXTVBWQRHU-SDNWHVSQSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156394
Clc1ccc(C=CC2=C(C(c3n2nc(c3C(=O)c2ccccc2)C(F)(F)C(F)(F)F)(C)C)C)cc1	PC-id_73235543	506.895	NUIWPXTVBWQRHU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156395
Clc1ccc(cc1)CN1CCn2c1c(C(=O)NC1(CC1)C1CC=C(C=C1)C(=O)O)c(n2)C(F)(F)F	SCHEMBL18758779	506.905	VDHIZKRTKSKLAP-UHFFFAOYSA-N	00100010100011110001100010000000000000000000000000000000	25-01-156396
ClCc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740079	506.905	BEFFDYDYZGETQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156397
ClCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740076	506.905	BEFFDYDYZGETQK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156398
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)Cl)C	PC-id_138705436,SCHEMBL21081602	506.905	PNTCFBCDMABPHU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156399
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)Cl)C	SCHEMBL18758530	506.905	FLBZFROVFJVJSY-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156400
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1Cl)C	SCHEMBL18758707	506.905	YGAQLVBNSKUVGW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156401
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cccc3)cc2)cc1	PC-id_24776049	506.916	QAKAGCBYICEJJL-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156402
Clc1ccc(NC(=O)N2[C@@H](c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cccc3)cc2)cc1	PC-id_58797871,SCHEMBL4597237	506.916	QAKAGCBYICEJJL-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156403
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cccc3)cc2)cc1	SCHEMBL4597978,PC-id_11993763	506.916	QAKAGCBYICEJJL-HSZRJFAPSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156404
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC)C1CC1	PC-id_20176735	506.992	XXKVGJIHCWNXDR-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-156405
Clc1c(C(=O)NC(C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_73273433	506.999	QKYSOGIBHJWUNH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156406
Clc1c(C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_16564503	506.999	QKYSOGIBHJWUNH-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156407
c1(NC(=O)c2[nH]nc(c3cc(Cl)ccc3O)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_135785295,MCULE-9532835768	507.004	DBETXAOFLMLSTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156408
ClC1=C/C(=C/NNC(=C2)C(=O)Nc2sc3c(CCC3)c2C(=O)NCCc2ccccc2)/C(=O)C=C1	PC-id_19131008	507.004	IMVQBIGIKKDYPL-HNENSFHCSA-N	00000011100011110001100010000000000000000000000000000000	25-01-156409
Clc1ccc(NC(=O)Cn2c3c(nc2C(=O)NC2CCN(CC2)C(C)C)CSC3C(=O)O)nc1	SCHEMBL1379805,PC-id_67011958	507.006	IDLOKSLTEAHNPF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156410
Clc1ccc(NC(=O)Cn2c(nc3c2CSC3C(=O)O)C(=O)NC2CCN(CC2)C(C)C)nc1	PC-id_67011582,SCHEMBL1378482	507.006	OVRLHFFFLHLZST-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156411
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)c(OC)cc1	PC-id_19731584	507.025	IFLKJHSSCCDMKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156412
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)c(OC)cc1	PC-id_19731483	507.025	VEWBFHVMFZLMJZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156413
Clc1ccc(OCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_20121704	507.025	MAIGRMOAXBZPHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156414
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_19733385	507.025	VWOMWUNJKOLSIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156415
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_19634163	507.025	KFZBYORKZICADW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156416
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_20121875	507.025	WVELMJIUIABWNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156417
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)ccc1	PC-id_20122544	507.025	QLHKJZMXYZDWJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156418
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cccc1	PC-id_19631898	507.025	YSSDAURCXZTTJG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156419
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cccc1	PC-id_17304955	507.025	NMYUUICVYDCQLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156420
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc(cc1)C	PC-id_20129021	507.025	XXEJKKBHUQKXDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156421
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)cccc1	PC-id_19638533	507.025	KSMNOCXWDRDLAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156422
Clc1cc(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)ccc1	PC-id_24946081,SCHEMBL3485445	507.027	GQGHXTRUWFLBNP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156423
Clc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)cccc1	PC-id_24946607,SCHEMBL1987061	507.027	KRGFCBUOJDCQPC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156424
Clc1c(S(=O)(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)scc1	PC-id_24751470,SCHEMBL4285348	507.029	ZQWRFMAKOVHVOC-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-156425
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCN(CC4)C/C=C/c4ccccc4)c3n2)cc1	PC-id_16947479	507.047	NZSJCXGEEVLQBP-QPJJXVBHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156426
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCN(CC4)CC=Cc4ccccc4)c3n2)cc1	PC-id_73340149	507.047	NZSJCXGEEVLQBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156427
CCCC[Sn](CCCC)(CCCC)C1=CC2=C(S1)CCC2NS(=O)(=O)C	PC-id_165395997	507.129	XJXNZDRXANGHPV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-156428
C1Cc2c(c(c(n2C1)C(=O)C(=O)NCC1CCC(CC1)C(=O)O)Cl)C(=O)Nc1cc(c(cc1)F)F	PC-id_164051157	507.137	VYQJBJUEHVDWIY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156429
CC1(CCC(CC1)C(=O)O)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_147953942	507.137	IODUCUQJFMBGMZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156430
Brc1c2n(CCC2C(=O)O)c(c1Br)C(=O)c1cc(S(=O)(=O)OC)ccc1	PC-id_20405023,SCHEMBL11005351	507.151	SYJDQKJLGJNAMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156431
CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)[O-])C(=N1)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_152469575	507.163	XXDDKUIJTJSAGJ-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-156432
CC(C)[C@@H]1C2=C(CN1C(C)C3=CC=C(C=C3)C#N)SC(=N2)CC(=O)CC4=CC=C(C=C4)S(=O)(=O)C	PC-id_160805169	507.165	SDPAPTNFIUQPIF-MKAWVKDUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156433
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC=CC(=C4)C(F)F	PC-id_147499163	507.178	FHBMIYPQZFFTDM-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156434
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC3)C(=C[NH3+])NN)C(=O)NC4=CC(=CC=C4)OC(F)(F)F	PC-id_161421249	507.196	VWTMJGQMTJNOLH-UHFFFAOYSA-O	00100010100000110000000010000000000000000000000000000000	25-01-156435
c1(NC(=O)c2c(Br)c(OC)c(c(OC)c2Br)OC)n(C)nc2CSCc12	EMOLS-id_334563765,MCULE-7752094390	507.197	ZDTGQNHRJYQFAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156436
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCN(CC5)C(=O)CO)C	PC-id_150178449	507.285	FKXHNZHHTIFFEE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156437
CCC(C)C(=O)OCCOCCN(CC)C1=CC(=C(C=C1)N=C2C(=NN3C2=NC(=N3)C(C)(C)C)[N+]#[C-])C	PC-id_161112708	507.296	YTEUAIHFYCFGRA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156438
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc([N+](=O)[O-])c(F)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24945900,SCHEMBL3485465	507.302	CWJHPNLTHZHNSD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156439
C/C=C/C(=O)N[C@@H]1CCC[C@H](C1)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942106	507.332	UBYQXVUAZBWYPS-ANMLMQPRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156440
C/C=C/C(=O)N[C@H]1CCC[C@H](C1)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942137	507.332	UBYQXVUAZBWYPS-USFFXYBYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156441
CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(I)c2)sc2c1CCC2	ZINC22_408616924	507.363	DDMXJANNIJPKHA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156442
Clc1ccc(cc1)C(=O)c1cc(c2n1c(=O)c(=CN(C)C)s2)S(=O)(=O)c1ccc(cc1)Cl	EMOLS-id_26189335,MCULE-2227005819	507.409	GDKHCXXWHUXCNG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156443
CN(C)/C=c/1sc2c(S(=O)(=O)c3ccc(Cl)cc3)cc(C(=O)c3ccc(Cl)cc3)n2c1=O	ZINC22_62651456	507.409	GDKHCXXWHUXCNG-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156444
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2486677340,PC-id_18848758	507.429	KBGPPEDHNMKJNP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-156445
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)OC(F)(F)F)sc2CCCc2c1C#N	MCULE-5025539493,EMOLS-id_333650576	507.442	BCKNHVDYRWZYIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156446
C1CN(CCC1c1c(c(c(cc1)F)F)C(F)(F)F)C(c1n[nH]c2c1CN(C2)C(=O)c1ccccn1)O	SCHEMBL19831718,PC-id_134224577	507.456	DQSOMOXVOXHTQC-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-156447
O=C(c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)N1Cc2c(C1)cn(n2)CC1CC(C1)(F)F	SCHEMBL17214312,PC-id_118479463	507.474	IPSXILRYKRXIND-LBPRGKRZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156448
c1(NC(=O)COc2cccc(c2)NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCC2)c1C#N	EMOLS-id_323175305,MCULE-4208574764	507.475	GGEBYVVDYKIARZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156449
s1c2c(CCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)C(=O)OC	PC-id_19678369	507.479	VQPPQYBGDXAIBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156450
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_16948049	507.482	JIXCTUFAYTXTOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156451
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C)C#N	SCHEMBL20252892,PC-id_134598992	507.492	XKXQUCCZSAYFIR-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-156452
CN(Cc1cccc(c1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)F)C	SCHEMBL1372260,PC-id_67009413	507.529	NXFZUIHQPPGGNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156453
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)C1(F)CCN(CC1)C)Nc1nc(OCC)ncc1F	SCHEMBL3327802,PC-id_68597582	507.534	GYDYROLAKHYAAA-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-156454
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)cc(OC)c1)C(=O)OC	PC-id_4456564	507.537	CDYBPOLTGPYKQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156455
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)c(OC)cc1)C(=O)OC	PC-id_4532405	507.537	ZGQDHILDSUENFS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156456
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)cccc1OC)C(=O)OC	PC-id_5050787	507.537	PLIQFKJDSIVFND-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156457
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)ccc(OC)c1)C(=O)OC	PC-id_5057977	507.537	UKKHAXOEDXVTEA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156458
O=C1CCCN1c1ccc(cc1)C(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1	SCHEMBL2915637,PC-id_68439682	507.54	GJKCPWYDFWRIMC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156459
N#Cc1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(c(c1)OC(F)F)C#N	SCHEMBL18367962	507.555	RTYLUSYYDJOOGO-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156460
Fc1cc(c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1)C	PC-id_5278863	507.557	XVQVPTBQBSINDZ-XDXJASTBSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156461
Fc1cc(c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1)C	PC-id_78381711	507.557	XVQVPTBQBSINDZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156462
c1(NC(=O)COc2cccc(c2)NC(=O)c2cc(c(OC)c(OC)c2)OC)sc2c(CCC2)c1C#N	MCULE-5462237931,EMOLS-id_323214645	507.558	USEVIKAPLKJLSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156463
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1)C(=O)OC	PC-id_3600916	507.558	DBKLWZKTIPEBSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156464
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)cc1)C(=O)OC	PC-id_9627446	507.558	DBKLWZKTIPEBSZ-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156465
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)N2CCN(CC2)C)sc2CCCc2c1C#N	EMOLS-id_333678071,MCULE-5481590061	507.565	UMHUETNTWZSSLM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156466
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1ccc(cc1)OC(F)F	PC-id_144742145	507.573	IMSXBADQMWAMQN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156467
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(cc3)C)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053736	507.58	NLDCEXRRFDFTER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156468
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(F)cc3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053786	507.58	YPPPOBQXPYPCFJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156469
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OC)c1ccc(OC)cc1	PC-id_16924001	507.58	OUSQCRIGGCVJEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156470
C[n+]1c(n(cc1)CC(=O)O)C[N+]1(Cc2[n+](C1)ccn2CC(O)O)CCc1ccc(cc1)S(=O)(=O)N	PC-id_90877330	507.583	VIKWLNXGDWAYFZ-UHFFFAOYSA-P	00000010100000110001000010000000000000000000000000000000	25-01-156471
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1)Cc1ccc(cc1)N1CCCC1	PC-id_10300990,SCHEMBL2926575	507.583	CDMKGVNFKZVOSZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156472
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1)C(C)(C)c1ccccc1)C(=O)OC	PC-id_19170935,MCULE-6528314911	507.598	FUMKXNMQUUVHNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156473
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1CN1CC(C1)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678194,PC-id_137440897	507.598	FDAUNPMUYLCVIN-NXHTTZLHSA-N	00101010100000000000000010000000000000000000000000000000	25-01-156474
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1CN1CC(C1)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678197,PC-id_137440899	507.598	FDAUNPMUYLCVIN-PLRGMUQMSA-N	00101010100000000000000010000000000000000000000000000000	25-01-156475
CC(C)(C)c1ccc(cc1)CNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	SCHEMBL14054674,PC-id_89236324	507.601	PYHNPLDPVOQPEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156476
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC	ZINC22_16742153,EMOLS-id_45965721	507.601	NEQMBRWBTAIDJR-PINRWWFUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156477
CCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OCC	EMOLS-id_45965707,ZINC22_16742146	507.601	QHTAABGDXUJVPJ-PINRWWFUSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156478
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCC(C)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3016440801	507.601	IDURKLQVBHYANF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156479
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-5219896405	507.601	NEQMBRWBTAIDJR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156480
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3814416579	507.601	QHTAABGDXUJVPJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156481
c1(NC(=O)COc2cccc(c2)NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_323197495,MCULE-7621288791	507.603	SBQMCTAHGSEMOR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156482
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-6855305428,EMOLS-id_331923743	507.605	SBTRGKFWWBZPSU-UHFFFAOYSA-N	00000010101010101001000010000000000000000000000000000000	25-01-156483
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CCO)sc2CCCc2c1C#N	MCULE-8156278425,EMOLS-id_332716879	507.605	WIKMTEFEZYAJKS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156484
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CCO)sc2CCCc2c1C#N	EMOLS-id_332714319,MCULE-9646639261	507.605	NIJJLHXMGRARKB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156485
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-7741603910,EMOLS-id_331929371	507.605	JDOGCRMNXSNBGQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156486
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-4738030418,EMOLS-id_331919391	507.605	PQYSXRVTCCPYOZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156487
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331925530,MCULE-4271296539	507.605	AZZDKJLZUDFHRA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156488
c1(NC(=O)COc2nonc2CC(=O)Nc2cc(C(C)C)cc(c2)C(C)C)sc2CCCc2c1C#N	MCULE-6918520479,EMOLS-id_333648018	507.605	XQZUFBVETKITIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156489
CCOC(=O)c1c(sc2c1CCC2)NC(=O)CSc1nnc(o1)CSc1nc(cc(=O)[nH]1)C	PC-id_136077248	507.606	VJLYXMOIWMSWQU-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-156490
Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)c1C	EMOLS-id_44139437,PC-id_2417749,MCULE-3195301459,ZINC22_3302134,CoCoCo_4953478	507.623	KVDBNJKXNINEGJ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156491
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CC(C)(C)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678269,PC-id_137440959	507.623	PWXBBBXBECREED-HSZRJFAPSA-N	00001010100000000000000010000000000000000000000000000000	25-01-156492
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)[C@H](NS(=O)(=O)c1c(C)c(C)cc(c1C)C)C	PC-id_2417751,CoCoCo_4953479	507.623	KVDBNJKXNINEGJ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156493
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CC(O)(C)C)C	SCHEMBL20678270	507.623	PWXBBBXBECREED-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-156494
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NS(=O)(=O)c1c(c(cc(c1C)C)C)C)C)C(=O)N	PC-id_3419009	507.623	KVDBNJKXNINEGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156495
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)c1ccc(OC)cc1	PC-id_22200384	507.623	UXEDKBITRILIGL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156496
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCCOC	PC-id_44053034	507.626	SQVAVYCHCGEIQT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156497
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1ccc(OC)cc1)C	PC-id_44053505	507.626	NTXJCVIRJFSIDL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156498
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)C1CCCN(C1)C(=O)C=C)C	SCHEMBL20741179,PC-id_137497915	507.628	DZLVTBMVZISOAN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156499
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)C1CCN(CC1)C(=O)C=C)C	PC-id_137497907,SCHEMBL20741171	507.628	KMOQIMAWSGIXKO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156500
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)[C@@H]1CCCN(C1)C(=O)C=C)C	PC-id_137497904,SCHEMBL20741168	507.628	DZLVTBMVZISOAN-YMBRHYMPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156501
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)[C@H]1CCCN(C1)C(=O)C=C)C	SCHEMBL20741172,PC-id_137497908	507.628	DZLVTBMVZISOAN-ZQRQZVKFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156502
C=CC(=O)N1CCCC(C1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17872169,PC-id_121438570	507.628	DZLVTBMVZISOAN-VGAJERRHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156503
C=CC(=O)N1CCC(CC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17877931,PC-id_121443297	507.628	KMOQIMAWSGIXKO-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156504
C=CC(=O)N1CCC[C@H](C1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121443974,SCHEMBL17878686	507.628	DZLVTBMVZISOAN-TZIWHRDSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156505
C=CC(=O)N1CCC[C@@H](C1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17877928,PC-id_121443294	507.628	DZLVTBMVZISOAN-PZJWPPBQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156506
CCCCC(CC)c1nnc2n1N=C(C2=NNc1c(cnn1c1ccccn1)COOCC)C(C)(C)C	PC-id_89279463	507.631	UOWRGUZAUADQPP-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-156507
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_24102077	507.646	KURPALVPPITLJY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156508
S1(=O)(=O)C(C(SCc2ccc(OC)cc2)c2c1sc(S(=O)(=O)N)c2)COCCOCC	PC-id_85173488	507.664	RXCIKLAUBHNOAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156509
S1(=O)(=O)[C@H]([C@@H](SCc2ccc(OC)cc2)c2c1sc(S(=O)(=O)N)c2)COCCOCC	PC-id_10529621	507.664	RXCIKLAUBHNOAA-WMZOPIPTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156510
S1(=O)(=O)[C@H]([C@H](SCc2ccc(OC)cc2)c2c1sc(S(=O)(=O)N)c2)COCCOCC	PC-id_10577550	507.664	RXCIKLAUBHNOAA-FUHWJXTLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156511
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCCC)sc2CCCc2c1C#N	EMOLS-id_331785663,MCULE-2911925813	507.667	IINGPZLCGGQKFU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156512
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331790782,MCULE-7751522283	507.667	VHRAYMZLEGVOSK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156513
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CC(C)C)sc2CCCc2c1C#N	MCULE-2659666690,EMOLS-id_331788221	507.667	BPZPYHVRMPOTNX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156514
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCCCC)sc2CCCc2c1C#N	MCULE-6548291627,EMOLS-id_331790775	507.667	TXYZSYHCXBJQCX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156515
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCCC)sc2CCCc2c1C#N	EMOLS-id_331786175,MCULE-5882557122	507.667	KQEGVECBZCWREF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156516
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CC(C)C)sc2CCCc2c1C#N	MCULE-7997761279,EMOLS-id_331784638	507.667	WWLFNDLJJLNECU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156517
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccccc2C)sc2CCCc2c1C#N	MCULE-2003432461,EMOLS-id_331790261	507.667	IXWFYKOPUSSVRB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156518
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-2745599210,EMOLS-id_331789758	507.667	XMYDIFGMIWUODN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156519
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCc2ccc(C)cc2)sc2CCCc2c1C#N	EMOLS-id_331791796,MCULE-8813718546	507.667	ONECONXSFAVNFZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156520
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_331792308,MCULE-9707764998	507.667	IWVGYDQNFAPPCL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156521
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-4732830012,EMOLS-id_331788464	507.667	MZRPENILAFZTPA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156522
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-4838782729,EMOLS-id_331788722	507.667	MHYXBYITGWZSTF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156523
C#Cc1ccc(cc1)C(N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL19772236,PC-id_134171056	507.667	BCYMAUKCFLLVIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156524
CC(=N)/C=CC(=N)N1CCC(CC1)CCOc1ccccc1CN(C(=O)c1c(N)sc2c1CCC2)C	PC-id_145141584	507.691	WMQDQLSKKRZPBG-HUPBHSRFSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156525
CCCCC(c1nc2n(n1)N=C(/C/2=N/c1c2[nH]nc(n2nc1C(C)(C)C)C(CCCC)CC)CC)CC	SCHEMBL17590198	507.717	KOSXSXOPWXUZDM-ANYBSYGZSA-N	00000011100000000001000110000000000000000000000000000000	25-01-156526
CCCCC(c1nc2n(n1)[nH]c(c2N=C1c2nnc(n2N=C1C(C)(C)C)C(CCCC)CC)CC)CC	PC-id_118944893	507.717	NVSBEAKCMMHDOI-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-156527
CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1	PC-id_101439886	507.747	GGHKHNCDGFNXQJ-GDLZYMKVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156528
BrC1(Br)SC(Br)(Br)c2c1c(sc2C#N)C#N	PC-id_10051973	507.845	GSTHHJDCKKULOE-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-156529
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cccc3)cc2)nc1	PC-id_72557769	507.904	SVTRJXASKFXMCE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156530
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cncc3)cc2)cc1	SCHEMBL4598104,PC-id_69109055	507.904	RWAHMWNYMTVWNC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156531
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cccc3)cc2)nc1	SCHEMBL14097938,PC-id_59773264	507.904	SVTRJXASKFXMCE-JOCHJYFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156532
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cncc3)cc2)cc1	SCHEMBL4598445,PC-id_58797874	507.904	RWAHMWNYMTVWNC-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156533
Clc1c(c2noc(c2C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)C)cccc1	PC-id_44053362	507.992	XJMRGSWJHRCMAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156534
Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4CCCc4n3Cc3ccccc3)cc2)nn1	MCULE-7182259649,EMOLS-id_328217464	507.992	FCODIQIIODFMDN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156535
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)cccc1	PC-id_24947512,SCHEMBL1984517	508.015	QGPLOSYYCCIAJX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156536
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cc1ccc(cc1)c1nnc(o1)C	SCHEMBL18367861	508.035	VKGCSDIDFBJMEI-DEOSSOPVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156537
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)c1nnnn1C	PC-id_134170951,SCHEMBL19772124	508.038	JSDVAOGYMDOUHH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156538
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)c1nn(nn1)C	SCHEMBL19772114,PC-id_134170941	508.038	AOPHYAYIAAYSMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156539
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cc1ccc(cc1)c1nnn(n1)C	SCHEMBL18367912	508.038	AOPHYAYIAAYSMD-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156540
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cc1ccc(cc1)c1nnnn1C	SCHEMBL18367913	508.038	JSDVAOGYMDOUHH-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156541
CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C3)OS(=O)(=O)C(F)(F)F)C(=N2)C(=O)OC(C)(C)C	PC-id_162287032	508.059	DXSWCJGOYWTRGK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156542
OC[C@H](c1ccccc1Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537506	508.076	NIYWKWIMDCWORN-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156543
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)OC(Cl)(Cl)Cl)NC(=O)C3(CCC3)[Si](C)(C)C	PC-id_161861266	508.087	PRTKWBDQBDQYEX-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-156544
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=NC=C(C=C4)C#N	PC-id_162065027	508.16	ZAIQITHZFWJAGN-AREMUKBSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156545
CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)O)C(=N1)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_152469576	508.171	XXDDKUIJTJSAGJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156546
CCC1=C2CCCC2=C(N1)C(C3=C(C=C(C=C3C)Br)C)C4=C5CCCC5=C(N4)C(=O)OCC	PC-id_164810466	508.173	CUHGBYNUWRNMJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156547
C[C@@H]1Cc2c(c(c(n2C1)C(=O)Nc1cc(c(cc1)F)F)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC	PC-id_163938818	508.173	RPELAXNTFZZXHA-LLVKDONJSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156548
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(F)cc(Br)c1	PC-id_19679868	508.223	SSCLHSYUEIFLFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156549
CC1=C(C(=CC=C1)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)OCCO)C	PC-id_152719426	508.305	ZVHMMLHICCJPRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156550
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5)C)OC)C	PC-id_150034069	508.305	DHWONHIXVSGLKL-OYRHEFFESA-N	00000010100010110001100010000000000000000000000000000000	25-01-156551
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=C(C=C5)OC)C)C	PC-id_150370437	508.305	GXPRJECAKFCLNZ-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156552
Ic1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cccc1	PC-id_44053281	508.333	GJVLCKXIVZCRKF-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-156553
Brc1ccc(nc1)C(=O)Nc1nn(c2C(N(Cc12)C(=O)OC(C)(C)C)(C)C)C(=O)OCC	PC-id_59508327,SCHEMBL596666	508.366	KWDZBTUINOTSPO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156554
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc(OC)c1OC	EMOLS-id_324912138	508.374	FBXUMNPISGKUIX-NVMNQCDNSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156555
n12c(=O)c(=Cc3cc(c(OC)c(OC)c3)OC)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5349189585	508.374	FBXUMNPISGKUIX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156556
Brc1cc(/C=C/C(=O)Nc2sc3c(C(CC3)C(=O)OC)c2C(=O)OC)c(OCC)cc1	PC-id_19185283	508.382	VZIXXFMWSNTROE-BJMVGYQFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156557
c1(NC(=O)CSc2nnc(c3ccc(cc3)Br)o2)sc2c(CCC2)c1C(=O)OCC	PC-id_34882978,MCULE-7715866992,CoCoCo_6268945,ZINC22_27525221,EMOLS-id_10083663	508.409	XQWWMCREPCTPOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156559
c1(NC(=O)CSc2noc(c3ccc(cc3)Br)n2)sc2c(CCC2)c1C(=O)OCC	PC-id_16458594,ZINC22_28527314,CoCoCo_6600763,MCULE-8199793824	508.409	DPHBFQIHIZRTKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156560
COC(=O)c1ccc(cc1)CNC(=O)c1c(nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C(F)F	SCHEMBL18758761	508.441	CGHGDNDLYNXQHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156561
O=C(c1c(nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C(F)F)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740322	508.441	VTTJSCZIFMDAOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156562
O=C(c1c(nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C(F)F)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740321	508.441	VTTJSCZIFMDAOP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156563
Cc1c(cc(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C)F	SCHEMBL20252894,PC-id_134598994	508.465	RVQNCUUVJVKLJU-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156564
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1C[C@@H](C2)F)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C)F	SCHEMBL20252910,PC-id_134599009	508.465	RMCFOVRVIIBXQF-CYBMUJFWSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156565
CN(C)C(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)n2CCCc12	SCHEMBL19900983,BindingDB-id_799425,PC-id_134285260	508.465	OMYGBVDJKHGCPM-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156566
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cccc(c2)C(F)F)n2CCCc12	PC-id_134285262,BindingDB-id_799417,SCHEMBL19900985	508.465	MVCRBBSVTDUREK-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156567
CNC(=O)C1(NC(=O)C(=O)c2c(C)c(n3c2CCC3)C(=O)Nc2cc(C)c(c(c2)F)F)CC(C1)(F)F	PC-id_142295156	508.465	UTHXNLVLQHIOLS-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156568
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)(C)C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_327816667,PC-id_1701633,MCULE-5487805567	508.468	XXKSHHMNINVJRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156569
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/NN)/N)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19920633,PC-id_134302916	508.469	VZXVCYYHQIVDKD-PXNMLYILSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156570
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/NN)/N)F)C(=O)Nc1ccc(cc1)F	PC-id_134303094,SCHEMBL19920820	508.469	OPKXPOHZGJAETB-APSNUPSMSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156571
Fc1ccc(cc1)NC(=O)c1n2C[C@@H](Cc2c(c1C)C(=O)C(=O)NC1(CC(C1)(F)F)C1CNNN1)F	PC-id_146047451	508.469	VARXDTUHZBPVCL-JBZHPUCOSA-N	00001010100000110001100010000000000000000000000000000000	25-01-156572
N/C=C(/C1(NC(=O)C(=O)c2c(C)c(n3c2CCC3)C(=O)Nc2ccnc(c2)C(F)F)CC(C1)(F)F)N	PC-id_142295088	508.469	GXGAGCJWQMWUTL-NVNXTCNLSA-N	00001010100000101000000010000000000000000000000000000000	25-01-156573
C=CCC1N(CCN(C1(C)c1cccc(c1)C(F)(F)F)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C(=O)[O-]	SCHEMBL5537167,PC-id_69479760	508.47	BNSHHDIBBFNZGL-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-156574
CC1(c2c(CN1C(=O)Nc1ccccc1Br)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348596,PC-id_135195464	508.475	ZGYWSAINZCZRHV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156575
Cc1c(c(ccc1)Br)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C	PC-id_134426838,SCHEMBL20060450	508.475	OYGHBKZTIHGNSX-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-156576
CCOC(=O)n1c2c(CN(C2)C(=O)C)c(n1)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)C(F)(F)F	PC-id_89864891,SCHEMBL15338600	508.493	BSCYXUUOCHMDNW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156577
COc1ccc(cc1)NC(=O)N1Cc2c([C@@H]1C(=O)Nc1ccc(cc1F)N1CCOCC1=O)cnn2C	PC-id_58797888,SCHEMBL14097944	508.502	OUUIHHATLINGKF-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156578
Fc1c(NC(=O)C2N(Cc3n(ncc23)C)C(=O)Nc2ccc(OC)cc2)ccc(N2CCOCC2=O)c1	PC-id_72427211	508.502	OUUIHHATLINGKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156579
CC(C)n1cc(C(=O)NCc2cn3CCS(=O)(=O)c3n2)c(=O)c(c1C)c1cccc(c1)C(F)(F)F	BindingDB-id_402394,SCHEMBL15491200,BindingDB_PC-id_73296699,PC-id_73296699	508.513	QXUCOTMTPHLQTD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156580
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCC(CC1)(F)F	PC-id_89236634,SCHEMBL14055103	508.538	SASYDEGVRBXEGR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-156581
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2ccccc2OC)sc2CCCc2c1C#N	EMOLS-id_333663179,MCULE-2193177706	508.55	SHLJFMQICVQHEP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156582
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2ccc(cc2)OC)sc2CCCc2c1C#N	MCULE-1871468843,EMOLS-id_333663433	508.55	IOMMHVLXRMAWLA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156583
S1C2N(C(=O)C2NC(=O)C(=NO)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)[O-]	PC-id_25065857	508.555	HFCVZEKQXMHKKA-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-156584
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NO)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)[O-]	PC-id_44469089	508.555	HFCVZEKQXMHKKA-IAQYHMDHSA-N	00001010100011000001001010000000000000000000000000000000	25-01-156585
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1cc(=O)n(cc1)C(F)F	PC-id_134170878,SCHEMBL19772049	508.561	HICWHUQGBBWLSL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156586
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)C)C(=O)OCC	PC-id_19643104	508.561	FTXWWPRXFGTSGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156587
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)C)C(=O)OC	PC-id_17305814	508.561	FGKZQKGPIPAEIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156588
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Cc1cc(F)cc(c1)F	SCHEMBL3485388,SCHEMBL11938843,PC-id_24945896	508.563	RNSVNOKOAAQYFO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156589
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Cc1c(F)cccc1F	SCHEMBL1984697,PC-id_24945897	508.563	LCXGESIKXFOEJO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156590
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1cccc(c1F)F	SCHEMBL3484823,PC-id_24946777	508.563	NVKQTIMUXFKIPW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156591
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccc(c(c1)F)F	SCHEMBL3484959,PC-id_24946605	508.563	XEYKZORFHNELQW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156592
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccc(cc1F)F	SCHEMBL3485846,PC-id_24946435	508.563	ZVJWMVCNZXOBIO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156593
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1cc(F)ccc1F	PC-id_24946606,SCHEMBL3485545	508.563	KGYWTNNEDQITFO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156594
CN1CCN(CC1)c1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1c(F)cccc1F	PC-id_24946779,SCHEMBL1984801	508.563	JQHKUUXHYHQQIO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156595
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331927314,MCULE-7266081168	508.565	KJLYAIRKMNDDKG-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-156596
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccccc2F)sc2CCCc2c1C#N	MCULE-6739028144,EMOLS-id_331930399	508.565	LEKMQXDZPIMYMJ-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-156597
COC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2	CoCoCo_2955505,MCULE-1078585542,EMOLS-id_43734228,PC-id_5131086,ZINC22_12539201	508.565	YQUAFLPKIZYFEZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156598
Cc1c(ccc(c1NC(=O)c1cc2c(s1)CC(C2O)(C)C)F)/C(=C/C(=Nc1ncncc1)C(=O)N)/N	PC-id_134355491	508.568	WOXLDXMUSLNKRQ-SGMICPONSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156599
NC(=O)/C(=CC(=N)c1ccc(c(c1C)NC(=O)c1cc2c(s1)CC(C2O)(C)C)F)/Nc1ccncn1	SCHEMBL19981902	508.568	MJDWCWXUZVTZDL-JJXHRZFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156600
C1CS(=O)(=O)c2nc(cn12)C=C1C2N(C1=O)C(CS2)C(=O)ON(c1ccccc1)c1ccccc1	PC-id_88441197,SCHEMBL9289068	508.569	QOWYABWXPLVZSI-UHFFFAOYSA-N	00001010100000110001001010000000000000000000000000000000	25-01-156601
OCC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	PC-id_57791646,SCHEMBL13786605	508.569	FGPJIKGNWBGXER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156602
OCC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	PC-id_57791547,SCHEMBL13786601	508.569	KMQQCWJIRNHJMF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156603
CCC(=O)[C@@H](C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(=N4)[C@H](C)C(=O)CC)n2C1=O	CoCoCo_5683691,ZINC22_5813538,PC-id_92281144	508.573	HLKSIASKKJKQGY-HUUCEWRRSA-N	00000011100000000001000010000000000000000000000000000000	25-01-156604
CCC(=O)[C@@H](C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(=N4)[C@@H](C)C(=O)CC)n2C1=O	CoCoCo_5683692,ZINC22_17191821,PC-id_92530624	508.573	HLKSIASKKJKQGY-GASCZTMLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-156605
CCC(=O)[C@H](C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(=N4)[C@@H](C)C(=O)CC)n2C1=O	ZINC22_5813537,CoCoCo_5683693,PC-id_92281143,NSC625847	508.573	HLKSIASKKJKQGY-GJZGRUSLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-156606
COc1nc(OC)nc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	SCHEMBL1205166,PC-id_66941359	508.573	PEQNUWNCJCXINR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156607
COc1nc(OC)nc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL1205162,PC-id_58015646	508.573	PEQNUWNCJCXINR-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156608
O=C1n2c(nnc2N=C1C(C(=O)CC)C)CCCCCCCc1n2C(=O)C(=Nc2nn1)C(C(=O)CC)C	PC-id_362243	508.573	HLKSIASKKJKQGY-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-156609
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)Cc2ccco2)sc2CCCc2c1C#N	MCULE-8715977386,EMOLS-id_331928592	508.589	CCUMDVAEFXRBHU-UHFFFAOYSA-N	00000010101010101000000010000000000000000000000000000000	25-01-156610
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_332715085,MCULE-1510315060	508.589	HWLUWOPNIHSXMK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156611
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CC(C)O)sc2CCCc2c1C#N	MCULE-2730988734,EMOLS-id_332717638	508.589	BMDQFHFOFORQSS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156612
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCCO)sc2CCCc2c1C#N	MCULE-3523256226,EMOLS-id_332714826	508.589	DHZADAFNTZTGOU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156613
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CCO)sc2CCCc2c1C#N	MCULE-6746072791,EMOLS-id_332715598	508.589	HGNQYSYKKVDRIW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156614
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCOC)sc2CCCc2c1C#N	EMOLS-id_332711499,MCULE-7045221183	508.589	XAMOFTBJMUXBGR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156615
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CC(C)O)sc2CCCc2c1C#N	MCULE-4833214787,EMOLS-id_332716103	508.589	QIYVEHJMMCCBER-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156616
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCCO)sc2CCCc2c1C#N	MCULE-9014015915,EMOLS-id_332717386	508.589	MWGRKLWZXHAYFT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156617
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCOC)sc2CCCc2c1C#N	MCULE-1611891006,EMOLS-id_332709964	508.589	BVZWSQUXJOFQCE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156618
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CCO)sc2CCCc2c1C#N	MCULE-1371514038,EMOLS-id_332719680	508.589	RLYOGBKSXRTQCY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156619
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)c(OC)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332717379,MCULE-8972787959	508.589	IDRWHBHUDLNRKZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156620
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(OC)cc(OC)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332715077,MCULE-2293551580	508.589	CDTKDQRWPIWFCD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156621
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331931922,MCULE-1085340978	508.589	KRWUKITVMZSNBY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156622
CCN(CC)C(=O)COc1ccc(/C=c/2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1	EMOLS-id_324925449	508.589	PGMHCLOQOPCNMY-HMAPJEAMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156623
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(OCC(=O)N(CC)CC)cc4)/c(=O)n3n2)cc1	EMOLS-id_324878340	508.589	CXSDSHBYTFJHBQ-JCMHNJIXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156624
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-2981095168	508.589	PGMHCLOQOPCNMY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156625
n12nc(nc1sc(=Cc1ccc(cc1)OCC(=O)N(CC)CC)c2=O)COc1ccc(OCC)cc1	MCULE-9486010454	508.589	CXSDSHBYTFJHBQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156626
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053568	508.589	PTXDPRDOXIPPQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156627
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC(=O)NCc2ccccc2)C1	PC-id_44053348	508.589	LJPNUYOETVCTHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156628
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_331933970,MCULE-9637274168	508.593	IPJMBMRUAJGQSW-UHFFFAOYSA-N	00001010100000101001000010000000000000000000000000000000	25-01-156629
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCc2c[nH]cn2)sc2CCCc2c1C#N	MCULE-9895804328,EMOLS-id_331925019	508.593	NLFWQRZTGUIAJG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156630
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(N(CC)CC)cc2C)sc2CCCc2c1C#N	MCULE-9881288339,EMOLS-id_333649299	508.593	XBOQPDBSSKKLST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156631
CCOC(=O)c1c(sc2c1CCC2)NC(=O)CSc1nnc(o1)CSc1nc(cc(=O)[nH]1)N	PC-id_136077320	508.594	GJAOGDMIZZDBJW-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-156632
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCC(C)C)sc2CCCc2c1C#N	MCULE-2788394944,EMOLS-id_332721728	508.608	GFTOCAVJKQBBJP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156633
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCCCC)sc2CCCc2c1C#N	MCULE-5287478919,EMOLS-id_332716616	508.608	XPRQSOOSVBNCBV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156634
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CC(C)C)sc2CCCc2c1C#N	MCULE-3442630622,EMOLS-id_332712265	508.608	JNFOBVGXIAFOAB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156635
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CCCC)sc2CCCc2c1C#N	MCULE-4873591197,EMOLS-id_332711245	508.608	ALPQZDALAJJRPM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156636
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332717128,MCULE-5183967226	508.608	BFPXNZYRIYQZDD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156637
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332718145,MCULE-9617575279	508.608	LUKCFCBYCXKQLN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156638
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331924499,MCULE-3088701473	508.608	ASBVERGDONHOCT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156639
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccccc2F)sc2CCCc2c1C#N	MCULE-2443461393,EMOLS-id_331931664	508.608	JSBXGPDZDFEMFG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156640
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C(C)(C)C)OC	PC-id_137355446,SCHEMBL20579905	508.608	OJYGFDVOKBSGTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156641
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C(C)(C)C)OC	PC-id_137355445,SCHEMBL20579904	508.608	OJYGFDVOKBSGTA-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156642
COC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)NS(=O)(=O)c2ccc(cc2)C)sc2c1CCC2	PC-id_2105156,CoCoCo_4955801	508.608	GNXKIMGVTZUFHH-HXUWFJFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156643
COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)sc2c1CCC2	CHEMBL1306390,ChEMBL-DNDi_CHEMBL1306390,PC-id_2105155,MCULE-7620930165,ZINC22_2642350,CoCoCo_4955800,BindingDB_PC-id_2105155,BindingDB-id_87710,EMOLS-id_42616140	508.608	GNXKIMGVTZUFHH-FQEVSTJZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156644
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NS(=O)(=O)c1ccc(cc1)C)C(C)C)C(=O)OC	PC-id_4222449	508.608	GNXKIMGVTZUFHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156645
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(c1ccccc1)OC(F)(F)F	PC-id_140817122	508.609	ZZOZFRFBAKICGY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156646
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)[C@@H](c1ccccc1)OC(F)(F)F	PC-id_141487849	508.609	ZZOZFRFBAKICGY-QGZVFWFLSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156647
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)OCC(C)C	EMOLS-id_328223350,MCULE-6632287208	508.629	WHMCZZHUGPKARV-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-156648
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-4291341816,EMOLS-id_331932688	508.632	WZJWRGAKCWUTIO-UHFFFAOYSA-N	00001010100011101000000010000000000000000000000000000000	25-01-156649
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331922975,MCULE-9085420993	508.632	OPTNRZKOORLGPV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156650
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331927327,MCULE-6239988867	508.632	VVLVWLMFFTUOBM-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-156651
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)Cc2ccco2)sc2CCCc2c1C#N	MCULE-3718849869,EMOLS-id_331925023	508.632	HTRJHVRPWBKYCK-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-156652
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(cc(N(CC)CC)cc1)C	PC-id_16948082	508.632	ONBOUCQMYYOVOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156653
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2NCCn2nc1C(CO[Si](C(C)(C)C)(C)C)(F)F)C	PC-id_140931273	508.633	RLFQEKCRGGNBLK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156654
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCc2c[nH]cn2)sc2CCCc2c1C#N	MCULE-8313297047,EMOLS-id_331923484	508.636	BXRXLWYNRLAIFK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156655
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCn2ccnc2)sc2CCCc2c1C#N	MCULE-3541553877,EMOLS-id_331935250	508.636	DNVPRLZOCLURJL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156656
O=C(c1ccc(cc1)N1CCN(CC1)C(C)(C)C)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	PC-id_68984783,SCHEMBL4280877	508.636	PNINJZLCYQDMBH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156657
O=C(c1ccc(cc1)N1CCN(CC1)C(C)(C)C)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24751737,SCHEMBL4280872	508.636	PHJAKNCUCGOSBO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156658
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331790522,MCULE-4260204536	508.656	YQAFLFLFCJNKFP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156659
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331788984,MCULE-4613323815	508.656	HVKGFOWOHRJSCH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156660
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCC(C)C)sc2CCCc2c1C#N	MCULE-6775944407,EMOLS-id_331792318	508.656	LYSCFQJVSCSMJJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156661
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-3656938427,EMOLS-id_331790523	508.656	OGBBKOAYRGIFBJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156662
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_331789745,MCULE-8151745285	508.656	AKFDPILFHLQEPH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156663
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-7342408599,EMOLS-id_331789749	508.656	VMJZMBYSMPFJRH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156664
Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_66739181,SCHEMBL598511	508.656	YBJTZKMTHASFLH-UXHICEINSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156665
CC[C@]1(C)N(Cc2ccc(cc2)C#N)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367970	508.656	XYSCCIPVLYHMFP-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-156666
CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12)[C@H](C)c1ccc(cc1)C#N	BindingDB-id_722794,BindingDB_PC-id_145713357,PC-id_145713357	508.656	YNYKERKLQQCGKY-NSYGIPOTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156667
CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12)[C@@H](C)c1ccc(cc1)C#N	BindingDB_PC-id_145713356,PC-id_145713356,BindingDB-id_722793	508.656	YNYKERKLQQCGKY-GKVSMKOHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156668
C[C@H]1CN(CC2CCOCC2)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1C)C	SCHEMBL597426,PC-id_66738898	508.656	ALIDMOVKUYMFTE-ANYOKISRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156669
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1C)C	PC-id_122614547,SCHEMBL18142919	508.656	ALIDMOVKUYMFTE-UXHICEINSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156670
C[C@@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1C)C	PC-id_66738899,SCHEMBL597427	508.656	ALIDMOVKUYMFTE-WOJBJXKFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156671
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)C#N	SCHEMBL19772255,PC-id_134171075	508.656	JCUQLDOUWUFQSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156672
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3s2)cc1	BindingDB_PC-id_145713308,PC-id_145713308,BindingDB-id_722734	508.656	JCUQLDOUWUFQSM-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156673
CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3s2)cc1	BindingDB_PC-id_145713372,BindingDB-id_722821,PC-id_145713372	508.656	PWJAEOPRSWBHHK-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156674
N#Cc1ccc(c(c1)C)CN1Cc2c([C@@H]1C(C)C)nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368039	508.656	YSMIUOJEYPFENF-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156675
N#Cc1ccc(cc1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18378679	508.656	JCUQLDOUWUFQSM-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-156676
N#Cc1ccc(cc1)C(N1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL18378800	508.656	YNYKERKLQQCGKY-DNIBEGIYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156677
N#Cc1ccc(cc1)CN1Cc2c([C@@H]1[C@H](CC)C)nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368057	508.656	ICJILCMWFQZCOA-XDHUDOTRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156678
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4cc(ccc4)C)c3C2)(C)C)C)CC1	PC-id_77183039	508.656	YBJTZKMTHASFLH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156679
CCCCOC(=O)c1nn2c(/c/1=Cc1ccc(s1)N(CCCC)CC)nnc2CNS(=O)(=O)C	PC-id_71200566,SCHEMBL14546208	508.657	LMSWMBKHCUUBJY-VKAVYKQESA-N	00000000100100000001000010000000000000000000000000000000	25-01-156680
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2sccc2)nn1)C)C(=O)OCC	PC-id_23791110	508.657	RMOSEJPZTPCKLS-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-156681
s1c(N(CCCC)CC)ccc1C=c1c2n(nc1C(=O)OCCCC)c(nn2)CNS(=O)(=O)C	PC-id_78034656	508.657	LMSWMBKHCUUBJY-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-156682
CC(C)(C)OC(=O)N(C)C1CCC(CC1)OC(=N)c1c(sc2c1[C@H](CC2)C[C@@H](C(=O)N)OC)NC	PC-id_136447432	508.674	QRWGTXXEBCLLHN-VXLLPVPCSA-N	00000010100010000000000010000000000000000000000000000000	25-01-156683
CO[C@H](C(=O)N)C[C@H]1CCc2c1c(C(=N)O[C@@H]1CC[C@H](CC1)N(C(=O)OC(C)(C)C)C)c(s2)NC	SCHEMBL10343912	508.674	QRWGTXXEBCLLHN-VQHPVUNQSA-N	00000010100010000000000010000000000000000000000000000000	25-01-156684
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCC2=CCCCC2)sc2CCCc2c1C#N	EMOLS-id_331933968,MCULE-1656748112	508.675	NLPBJFQQEURJLP-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-156685
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCCCC)sc2CCCc2c1C#N	MCULE-2788406873,EMOLS-id_331932689	508.675	IEANZKMOGFDSQN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156686
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C2CCCCC2)nn1)C)C(=O)OCC	PC-id_23960138	508.677	SXWYIHSBJCCDRA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-156687
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)CC2CCCCC2)nn1)C(=O)OCC	PC-id_24158761	508.677	NPQLNGVFCPCZQF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-156688
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)CCC2CCCC2)nn1)C(=O)OCC	PC-id_24155618	508.677	DXXCYDJMCLRCCG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-156689
CCCCCCN(c1ccc(c(c1)C)/N=C/1c2nc(nn2N=C1C(C)(C)C)C(C)(C)C)CCCC(=O)O	PC-id_57638486,SCHEMBL10233282	508.699	ZWIDAONHNGGGPE-KRUMMXJUSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156690
CCOc1ccc(OCc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)cc1	EMOLS-id_324878857	508.773	KKPBOMDVZWWUNK-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156691
COc1ccc(Cc2nc3s/c(=Cc4cc(Cl)cc(Br)c4O)/c(=O)n3n2)cc1OC	EMOLS-id_324925966	508.773	XMMYLWUEHKZCAL-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156692
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-8165655266	508.773	XMMYLWUEHKZCAL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156693
n12nc(nc1sc(=Cc1cc(Cl)cc(Br)c1O)c2=O)COc1ccc(cc1)OCC	MCULE-4631857911	508.773	KKPBOMDVZWWUNK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156694
CCCN1Cc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2C1	PC-id_23647678,BindingDB-id_31052,BindingDB_PC-id_23647678	508.848	FWEQTRFUWAMPTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156695
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cncc3)cc2)nc1	PC-id_72427207	508.892	GRULFGMXGAINRC-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156696
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cncc3)cc2)nc1	PC-id_58797876,SCHEMBL14097943	508.892	GRULFGMXGAINRC-OAQYLSRUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156697
CCOC(c1c(C)c(c2n1CCC2)C(=O)C(=O)NC1(C#N)CC(C1)(F)F)Nc1ccc(c(c1)Cl)F	PC-id_142295133	508.921	RCNYXTBFTFIZPE-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156698
ClCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](C1=CCC(C=C1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758464	508.921	ICFZUCJIMDJDFO-PIVQAISJSA-N	00000010100011110001000010000000000000000000000000000000	25-01-156699
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CCC)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_18880109,MCULE-4624553400	508.998	YUUFGYSWFWGOSH-UHFFFAOYSA-N	00000010101000100001000010000000000000000000000000000000	25-01-156700
Clc1ncccc1NC(=O)N1C(c2[nH]nc(NC(=O)c3ccc(N4CCN(CC4)C)cc3)c2C1)(C)C	PC-id_24946085	509.003	RBHIYFYGCZRXRX-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-156701
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(Cl)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332715584,MCULE-5638511609	509.02	LYWPBCAKEFISPG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156702
c1(NC(=O)COc2cn(c(cc2=O)CNc2c(C)ccc(Cl)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332716098,MCULE-7852919386	509.02	OYLLDQCWOVJCCQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156703
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2C)CC=C)sc2CCCc2c1C#N	MCULE-9673577158,EMOLS-id_332715586	509.02	VYRHEAVTEDMIEN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156704
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)cc2C)CC=C)sc2CCCc2c1C#N	MCULE-1830217047,EMOLS-id_332716610	509.02	GVWRLCVBOWREKY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156705
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)c(C)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332717889,MCULE-8174777634	509.02	NZDCDKQHQHGKLU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156706
ClC1=CC(=C2NNC(C2)C(=O)Nc2sc3c(CCC3)c2C(=O)NCCc2ccccc2)C(=O)C=C1	PC-id_73537650	509.02	SDGQJZDGXIXKCM-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-156707
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)c2ccc(cc2)C(=O)C)cc1	PC-id_16947476	509.02	XRQWXMQCZUVNIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156708
Clc1c(CC2NNC(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)NC2=O)cccc1	PC-id_73261771	509.041	NWAJZPIKSKLUSJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156709
Clc1ccc(CC2NNC(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)NC2=O)cc1	PC-id_78291121	509.041	VMJOVAJMKZLQBM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156710
Clc1ccc(C2(CCCC2)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc1	PC-id_44053779	509.063	JIAIHZZHNJXAIL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156711
CCS(=O)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)CN(C3)CC4=CC=C(C=C4)C(F)(F)F	PC-id_155005562	509.105	FGSFSGHMHGKDAN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156712
CC1CCC(N1S(=O)(=O)C2=C3C=CCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278725	509.18	TXQDMXLJCJRDDL-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-156713
O=C(OC(C)(C)C)CCCCCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	SCHEMBL16285011,PC-id_117733490	509.253	CAQLBJSZQVAQIZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-156714
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOC3)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_153631868	509.275	QQSZYNLBBPVWLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156715
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=C(C=CC(=C3)C)C)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587084	509.3	SKFKJCUNWCHISS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156716
COc1cc(/C=c/2sc3nc(nn3c2=O)C(C)Oc2ccc(Cl)cc2Cl)cc(c1O)[N+](=O)[O-]	EMOLS-id_324911118	509.319	GSTNQHABQANNER-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156717
n12c(=O)c(=Cc3cc(OC)c(c(N(=O)=O)c3)O)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-1456951838	509.319	GSTNQHABQANNER-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156718
Clc1c(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)ccc(Cl)c1	PC-id_44053627	509.381	RWVFKNJYLNNYDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156719
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2ccc(F)cc2)c1	PC-id_20172910	509.415	IGAKCRLHIAUFRI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156720
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2c(F)cccc2)c1	PC-id_20172543	509.415	PGCZCKJNIXOADR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156721
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCC2	PC-id_17113492,ZINC22_8832887	509.425	SXEUCORYPUJTFM-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156722
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2	PC-id_17114161,ZINC22_8833194	509.425	LGKZIFZPNDWTJZ-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156723
Clc1c(c2oc(C(=O)NC(=S)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cccc1Cl	PC-id_1613849	509.425	CFWFARUGXMUPMS-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-156724
O=Cc1ccccc1CON[C@@H](CC(=O)N1Cn2c(C1)nnc2C(F)(F)F)Cc1ccc(c(c1)F)F	PC-id_144077979	509.429	YWDUIASRZLGBKI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156725
Brc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	EMOLS-id_321745963,MCULE-4272528559	509.44	SXTFKSPWCBEZOG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156726
S=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_122501185,SCHEMBL18031090	509.458	AAUZPJYVHZKOII-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156727
S=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL19704666	509.458	AAUZPJYVHZKOII-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156728
Clc1cc(Cn2nc(c(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2C)C)ccc1Cl	PC-id_19677756	509.472	FBYMILIKPWMHKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156729
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2C)C)ccc(Cl)c1	PC-id_19677850	509.472	SCLNZDINPMVOBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156730
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2C)C)c(Cl)ccc1	PC-id_19679312	509.472	QYTFJZZREYZUKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156731
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1cc(c(F)cc1)C(F)(F)F	PC-id_16948077	509.473	DXUKWTYXPXUKJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156732
CC1(CN(CCN1CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)C(=O)O)CC=Cc1cc(ccc1)C(F)(F)F	PC-id_91298368	509.478	WVIUXWPBGLPIND-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156733
CC(=CCOC(=O)N1CCN(CC1)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1cc(ccc1)C(F)(F)F	PC-id_90750972	509.478	DFYYBIPRWFDKLO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156734
FC(F)(F)c1cc(C2(N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2CC=C)C(=O)O)C)ccc1	PC-id_69479761	509.478	BNSHHDIBBFNZGL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156735
FC(F)(F)c1cc(C=CCC2(N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)C)ccc1	PC-id_69479759	509.478	WVIUXWPBGLPIND-FOIFJWKZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156736
FC(F)(F)c1cc(/C=C/CC2(N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)C)ccc1	PC-id_69482304,SCHEMBL5546028	509.478	WVIUXWPBGLPIND-DALURUISSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156737
O=C(N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])OC/C=C/c1cccc(c1C)C(F)(F)F	PC-id_139991185	509.478	BTLJQTLKFUJKPH-LHXJMTLCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156738
O=C(N1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])OC/C=Cc1cccc(c1C)C(F)(F)F	PC-id_139991186	509.478	BTLJQTLKFUJKPH-DKYZEMOZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156739
OC(=O)N1CCN(C(C1)(C)C/C=Cc1cccc(c1)C(F)(F)F)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5537164	509.478	WVIUXWPBGLPIND-JISFQADCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156740
Cc1c(n2CCCc2c1CC(=O)NC1(CC(C1)(F)F)C(=O)NC)C(=O)Nc1c(c(ncc1)C(C)F)F	SCHEMBL20253003,PC-id_134599099	509.496	LMVFVTVBVVMBPZ-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-156741
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-9418552160	509.5	YHHGNGDDQFNUMT-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156742
CC(c1ccc(cc1)N1CCCC1=O)C(=O)NC1c2c(CN1)c(n[nH]2)NC(=O)Nc1c(cc(cc1)F)F	PC-id_90985683	509.508	ANBJEYGYYAUZDF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156743
Fc1c(NC(=O)NN2Cc3c([nH]nc3NC(=O)C(c3ccc(N4CCCC4=O)cc3)C)C2)ccc(F)c1	PC-id_68442057,SCHEMBL2922601	509.508	WJHUBPPZPQZCDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156744
Fc1c(N(N2Cc3c([nH]nc3NC(=O)C(c3ccc(N4CCCC4=O)cc3)C)C2)C(=O)N)ccc(F)c1	SCHEMBL4232628,PC-id_68967128	509.508	UTYNLXKHGQVJBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156745
ClC1(Cl)n2nc(nc2C(=C1C#N)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C(C)(C)C	PC-id_9870941	509.512	AAISDXWQLUAWFJ-UHFFFAOYSA-N	00000011100010000001000010000000000000000000000000000000	25-01-156746
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2occc2)cc1)C)C(=O)OCC	PC-id_4123134	509.531	FOEBKNOCHFWMKD-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-156747
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2occc2)cc1)C)C(=O)OCC	PC-id_9648252	509.531	FOEBKNOCHFWMKD-MZJWZYIUSA-N	00000010101000110000000010000000000000000000000000000000	25-01-156748
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2occc2)cccc1)C)C(=O)OCC	PC-id_19661208	509.531	ZDNMUKGKDOUGRA-MZJWZYIUSA-N	00000010101000110000000010000000000000000000000000000000	25-01-156749
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2occc2)cccc1)C)C(=O)OCC	PC-id_73635647	509.531	ZDNMUKGKDOUGRA-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-156750
C1C(C[n+]2cncn12)SC1=C(N2C(C(C2=O)NC(=O)/C(=NO)/c2nsc(n2)N)SC1)C(=O)[O-]	PC-id_135955108	509.543	NFUFHSRYAJQIGC-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-156751
C1C(C[n+]2cncn12)SC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NO)/c2nsc(n2)N)SC1)C(=O)[O-]	PC-id_135870495	509.543	NFUFHSRYAJQIGC-YMTOWFKASA-N	00001010100011000001001010000000000000000000000000000000	25-01-156752
Fc1ccc(C(O)C2CCN(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4ccc(F)cc4)c3C2)(C)C)cc1	PC-id_10097813	509.548	XVBWUXJGECPMLU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156753
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2ccc(F)cc2)cc1)C)C(=O)OC	PC-id_4671660	509.549	AZCVDQATRDYNEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156754
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2ccc(F)cc2)cc1)C)C(=O)OC	PC-id_9681951	509.549	AZCVDQATRDYNEX-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156755
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_19660984	509.549	LKACYGYWPGMCSH-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156756
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_73635431	509.549	LKACYGYWPGMCSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156757
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2ccc(F)cc2)ccc1)C(=O)OCC	PC-id_3575129	509.549	KDWMKRRYTOIKIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156758
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2ccc(F)cc2)ccc1)C(=O)OCC	PC-id_9626398	509.549	KDWMKRRYTOIKIX-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156759
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2c(F)cccc2)ccc1)C(=O)OCC	PC-id_5155640	509.549	LXSIRAIFARKVHH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156760
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2c(F)cccc2)ccc1)C(=O)OCC	PC-id_9609904	509.549	LXSIRAIFARKVHH-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156761
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Nc1c(F)cccc1F	PC-id_24945895,SCHEMBL1984971	509.551	KBMQOVZEKCNRQI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156762
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CCOC(=O)N1CC(C1)O)(C(=O)NO)S(=O)(=O)C	PC-id_137440962,SCHEMBL20678273	509.553	BSCLUMXTELHNMK-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-156763
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#CC#CCOC(=O)N1CC(C1)O)C	PC-id_145771017	509.553	BSCLUMXTELHNMK-OAQYLSRUSA-N	00001010100000000000000010000000000000000000000000000000	25-01-156764
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCN(CC2)c2cc(OC)c(OC)cc2)cc1)C	PC-id_53469642	509.554	SVJLSNXZJSOPEF-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156765
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCN(CC2)c2cc(OC)c(OC)cc2)cc1)C	PC-id_76037078	509.554	SVJLSNXZJSOPEF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156766
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	SCHEMBL13786652,PC-id_57791751	509.557	JEVNJWZNRUJFRY-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156767
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	SCHEMBL13786650,PC-id_57791623	509.557	VFRISXVHPYLJOP-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156768
ONC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1ccc(cc1)n1cccn1)c1ccccc1	PC-id_76606591,SCHEMBL8030625	509.557	VFRISXVHPYLJOP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156769
S1(=O)(=O)N(Cc2sc(NC(=O)c3ccc(n4nccc4)cc3)cc12)C(c1ccccc1)C(=O)NO	PC-id_76606603	509.557	JEVNJWZNRUJFRY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156770
S1C2N(C(=O)C2NC(=O)C(=NO)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_25065858	509.562	HFCVZEKQXMHKKA-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-156771
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NO)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_44469090	509.562	HFCVZEKQXMHKKA-IAQYHMDHSA-O	00001010100011000001001010000000000000000000000000000000	25-01-156772
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)CN(C2)Cc1ccc(cc1)C(F)(F)F	PC-id_144742180	509.564	GKTWABXGERLMPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156773
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OCC)c1ccc(F)cc1	PC-id_16923904	509.571	QMPFBFFMQSKVAC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156774
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)OCCCCCC)sc2CCCc2c1C#N	EMOLS-id_333678838,MCULE-4437476607	509.577	PKUQUKKRVKRCJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156775
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCN(C)C)sc2CCCc2c1C#N	MCULE-3341444829,EMOLS-id_332715084	509.596	CLSSGWLLGOQWAT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156776
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332715596,MCULE-3109531434	509.596	JXFKQVWBUHPZJE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156777
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)CN(C)C)OC	SCHEMBL15300572,PC-id_89836935	509.596	WMJAMWYZTLLLIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156778
CC(=S)C1(c2c(CN1C(=O)OC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1ccccc1F)C	PC-id_89803981	509.596	SUCFBNULGQGYNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156779
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C(=S)C)[nH]nc2NC(=O)c1ccccc1F)C	SCHEMBL15256578	509.596	SUCFBNULGQGYNN-OSMGYRLQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156780
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)CS(=O)(=O)C)sc2c(CCC2)c1C#N	MCULE-6620017883,EMOLS-id_323198368	509.597	RTOBFPZLLUTANK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156781
FC(Oc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F)F	PC-id_140882992	509.597	NEIPJHDYZSWBQT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156782
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1ccccc1OC(F)(F)F	PC-id_140882998	509.597	AYYCTBGVCLJOHS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156783
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCOC)cc1	PC-id_44052961	509.599	BNFRMQDPDUUSHS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156784
c1(NC(=O)c2ccccc2NC(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-3038599223,EMOLS-id_334332576	509.619	AXZRJHXKCFBJMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156785
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331929116,MCULE-4514385828	509.62	BBXXPCUJZNVCPX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156786
CN1CCN(CC1)c1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1	PC-id_68987058,SCHEMBL4285758	509.624	XKGOEEHHMFITFO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156787
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331791030,MCULE-4239149085	509.64	IXIGCOLUGNMTES-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156788
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCCO)sc2CCCc2c1C#N	MCULE-3176252549,EMOLS-id_331791800	509.64	UIHLZONCMJZINF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156789
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331790000,MCULE-5004119083	509.64	FDEKCTQECGSPMJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156790
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCOC)sc2CCCc2c1C#N	MCULE-1625267120,EMOLS-id_331786942	509.64	WHHXXKNZCLPIIO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156791
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCCO)sc2CCCc2c1C#N	MCULE-3433240751,EMOLS-id_331792312	509.64	LYKXNVZIAUDEGY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156792
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CC(C)O)sc2CCCc2c1C#N	MCULE-9876541543,EMOLS-id_331791542	509.64	NUBAWNILDDLNBL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156793
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCOC)sc2CCCc2c1C#N	EMOLS-id_331787454,MCULE-8547480145	509.64	UCRBULXRCAUZJV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156794
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331788477,MCULE-8974515280	509.64	JREBDLRNSGKKHN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156795
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccc(O)cc2)sc2CCCc2c1C#N	MCULE-7606148141,EMOLS-id_331792061	509.64	JYHNUCBYWORWJZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156796
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccccc2C)sc2CCCc2c1C#N	MCULE-1375457017,EMOLS-id_331790517	509.64	JXXPNJBVENMIHT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156797
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-7832627777,EMOLS-id_331790014	509.64	PVPLLNYGGQAUIT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156798
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_331788469,MCULE-4797394234	509.64	ZXGIEQULOMRDDW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156799
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331788720,MCULE-2393993373	509.64	PXXYPHUTCHEHTE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156800
Cc1c(cc(cc1)CCNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C)C	SCHEMBL14058373,PC-id_89239276	509.64	SSBYCJAOTSDVDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156801
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCCCc1ccccc1	PC-id_89238990,SCHEMBL14057880	509.64	ZZFJPRHDKNURIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156802
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCN(C)C)sc2CCCc2c1C#N	MCULE-7275138596,EMOLS-id_331788731	509.644	LUGABZGMRYVYMY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156803
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331791038,MCULE-7409100835	509.644	LXRWFXKBPONJIK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156804
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331791287,MCULE-8987167638	509.644	AYQFEHCXAQPENR-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156805
CC1(c2c(CN1C(N[C@H](CN(C)C)c1ccccc1)O)c(n[nH]2)NC(=O)[C@@H]1CCCN(C1)C(=O)C=C)C	SCHEMBL20754518,PC-id_137509674	509.644	XFNMUBUWGZFBKQ-FOSBBQIRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156806
CC1(c2c(CN1C(N[C@H](CN(C)C)c1ccccc1)O)c(n[nH]2)NC(=O)[C@H]1CCCN(C1)C(=O)C=C)C	SCHEMBL20754702,PC-id_137509848	509.644	XFNMUBUWGZFBKQ-XDWHKTABSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156807
Cc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL597126,PC-id_66738838	509.644	VUQKGLHUYKKBTI-MOPGFXCFSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156808
Cc1ccnc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL596393,PC-id_66738644	509.644	CURZPKCJZGTMOX-GGYWPGCISA-N	00000010100010101001000010000000000000000000000000000000	25-01-156809
Cc1ccnc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_122614461,SCHEMBL18142807	509.644	CURZPKCJZGTMOX-MOPGFXCFSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156810
Cc1ccnc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@H]1C)CC1CCOCC1	SCHEMBL596394,PC-id_66738645	509.644	CURZPKCJZGTMOX-RTBURBONSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156811
CCc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1	PC-id_59508285,BindingDB_PC-id_59508285,SCHEMBL598331	509.644	HPOIOIFHLLQIEX-MSOLQXFVSA-N	00000010100010101001100010000000000000000000000000000000	25-01-156812
CC(C)[C@@H]1N(Cc2ccc(C#N)c(C)n2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB-id_722786,BindingDB_PC-id_145713351,PC-id_145713351	509.644	VIOFTQDJVOPWBB-DEOSSOPVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156813
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(n1)C)C	SCHEMBL598552,PC-id_66739190	509.644	RWGYRPODKGGQTD-MOPGFXCFSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156814
C[C@H]1CN(CCC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	SCHEMBL611527,BindingDB_PC-id_59508185,PC-id_59508185	509.644	OEFCBJHDGIIIQC-MOPGFXCFSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156815
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ncc(cc1)C#N	SCHEMBL19772235,PC-id_134171055	509.644	LZENSYNDKAPOQH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156816
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ncc(cc1)C#N	SCHEMBL19772237,PC-id_134171057	509.644	LZENSYNDKAPOQH-XMMPIXPASA-N	00000010100000111001000010000000000000000000000000000000	25-01-156817
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3s2)nc1	BindingDB_PC-id_145713369,BindingDB-id_722809,PC-id_145713369	509.644	RZECCGVRKJBRJX-XMMPIXPASA-N	00000010100000111001000010000000000000000000000000000000	25-01-156818
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(nc4)C#N)Cc3s2)cc1	BindingDB-id_722724,BindingDB_PC-id_145713297,PC-id_145713297	509.644	AOOVDFBQILZSJM-DEOSSOPVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156819
CCS(=O)(=O)c1cnc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)C#N	PC-id_134170860,SCHEMBL19772030	509.644	RZECCGVRKJBRJX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156820
N#Cc1ccc(cc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC	SCHEMBL18367891	509.644	RZECCGVRKJBRJX-DEOSSOPVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156821
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4nccc(c4)C)c3C2)(C)C)C)CC1	PC-id_77182901	509.644	CURZPKCJZGTMOX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156822
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(cc4)C)c3C2)(C)C)C)CC1	PC-id_77182939	509.644	VUQKGLHUYKKBTI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-156823
O1CCC(N2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(cc4)CC)c3C2)(C)C)C)CC1	PC-id_72310419	509.644	HPOIOIFHLLQIEX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-156824
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)CCCC)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8594386406,EMOLS-id_334334632	509.66	LMRZNBRKFICWDA-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-156825
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334332073,MCULE-8500869584	509.66	VOWFASOVSQAFTM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-156826
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCN(C)C)sc2CCCc2c1C#N	MCULE-4006972823,EMOLS-id_331929365	509.663	UACGUYVMPHBKFJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156827
S(=O)(=O)(N1CC(C1)(CCC1NC(C(C(N1)C)C(=O)n1cc2c(c1)C=NC2)C)c1ccccc1)C1CC1	PC-id_24936662	509.663	PAAVQKSYZVVUDU-UHFFFAOYSA-N	00101011100010110001100010000000000000000000000000000000	25-01-156828
O=S1(=O)N=C(c2c1csc2)N(Cc1ccccc1)CCCOc1cccc(c1)CN1CCCCC1	SCHEMBL10906683,PC-id_128515	509.683	YWOVCUCLMADHSH-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-156829
CC(c1nc2c(o1)N(CC2CC(c1nn2c(c1)N(CC2)C)C)C)CC1CN(c2c1nc(s2)C(C)C)C	SCHEMBL19441909	509.71	APPKYVCATYHJHF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-156830
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)NC(c1ccccc1)CC1(O)CC1	PC-id_140817136	509.716	YBNJFZFCDSYKTM-UHFFFAOYSA-N	00101010100000110001000010000000000000000000000000000000	25-01-156831
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N[C@@H](c1ccccc1)CC1(O)CC1	PC-id_141630845	509.716	YBNJFZFCDSYKTM-HXUWFJFHSA-N	00101010100000110001000010000000000000000000000000000000	25-01-156832
CCC[N@H+]1Cc2c(C1)sc(c2Cl)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(cc1)Cl)Cl	GD-id_ZINC14963689	509.856	FWEQTRFUWAMPTQ-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-156833
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2ccc(cc2)F)sc2c(CCC2)c1C(=O)OC	CoCoCo_6210459,ZINC22_8867543,PC-id_16438182,TIMTEC150636,MCULE-6381138424,EMOLS-id_9834371	509.958	FNSPBOPOABHPBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156834
Clc1ccc(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278875	509.985	BMKGTQNODMLALD-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156835
Clc1ccc(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_78381722	509.985	BMKGTQNODMLALD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156836
Clc1cc(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_5278876	509.985	BXCFFWQIHBVCSY-MLQZBXHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156837
Clc1cc(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_78381723	509.985	BXCFFWQIHBVCSY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156838
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc1	PC-id_44053453	510.008	CIZGQSXYPXRIML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156839
BrCCCCCCN1C(=O)c2c(S1(=O)=O)c(sc2Br)Br	SCHEMBL18317819	510.06	FPVJYJGWSCQHNV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-156840
CC[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)COC1CCCC1	PC-id_134170807,SCHEMBL19771975	510.091	JJEYJFWJEZMANI-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156841
CC1=CC=C(C=C1)C(=O)NC2=NC3=C([I-]2)C(=NN3C(C)(C)C)C(=O)NCCCO	PC-id_149298746	510.101	XFWQRGARIKGKRR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156842
CC1CN2C(=C(C=N2)S(=NC(=O)NC3=C(C=CC(=C3C)C(F)(F)F)C4=CC(=NC=C4)OC)(=O)N)O1	PC-id_165370397	510.13	OZGLMCBPGNOFIU-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156843
C[C@H]1CN2C(=C(C=N2)S(=NC(=O)NC3=C(C=CC(=C3C)C(F)(F)F)C4=CC(=NC=C4)OC)(=O)N)O1	PC-id_165370026	510.13	OZGLMCBPGNOFIU-KNWIKXQLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156844
C[C@@H]1CN2C(=C(C=N2)S(=NC(=O)NC3=C(C=CC(=C3C)C(F)(F)F)C4=CC(=NC=C4)OC)(=O)N)O1	PC-id_165370101	510.13	OZGLMCBPGNOFIU-ATDYTXTPSA-N	00000010100000111001100010000000000000000000000000000000	25-01-156845
CCC(=O)C1(CC(C1)(F)F)CC(=O)C(=O)C2=C3C[C@H](CN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)F	PC-id_161597264	510.158	SCUOMNUEEMPKHZ-CYBMUJFWSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156846
CC1=C(N2CCCC2=C1C(=O)CNC3(CC(C3)(F)F)C(=O)N(C)C)C(=O)NC4=CC(=C(C=C4)F)Cl	PC-id_151852739	510.165	SJAVVZFCSRKQSP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156847
CC/C(=C(/C1=C2CCCN2N=C1CSC(C)CNC)C(=C/OC(=O)C)Cl)/N(C)C(=C)C(=O)OC	PC-id_155122502	510.207	KZBFFCYQXJHTMK-PVTBXJRFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-156848
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3CCC(N3C(=C2C)C(=O)NC4=CC(=C(C=C4)C)C#N)C	PC-id_160554781	510.208	CMUSQZGXLXDKAY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156849
CC1=C(C=CC(=C1)[C@H](C)NC(=O)C2=C3N(CCN3N=C2C)CC4=CC=C(C=C4)C(F)(F)F)C5=NNN=N5	PC-id_161245728	510.21	RJVZSLJJWGSSII-HNNXBMFYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156850
OCCCn1c(=O)c2c(n1C)NC(N2CC)Oc1cccc(c1)OC(I)(F)F	SCHEMBL18834295	510.274	WQVQSYCWYUJXRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156851
C1[C@H](n2c(c(c(n2)Br)C(=O)O)N1Cc1cc(ccc1)C(F)(F)F)COCc1ccccc1	SCHEMBL20539011,PC-id_135360647	510.304	CHRJGORBUUHQDS-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156852
OC(=O)c1c(Br)nn2c1N(Cc1cccc(c1)C(F)(F)F)CC2COCc1ccccc1	SCHEMBL18740269	510.304	CHRJGORBUUHQDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156853
CC1CN(CCN1CC1CCOCC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1n[nH]c(c1)C1CC1	PC-id_163552025	510.307	FJWZZDZHMHCZPH-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-156854
CCCCCCCCCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=CN3CCCC)CCC	PC-id_148248509	510.382	BLQJNXPEZLGPJB-UHFFFAOYSA-N	00000010110000000000000010000000000000000000000000000000	25-01-156855
Clc1ccc(OCc2nc3s/c(=Cc4cccc(OCc5ccccc5)c4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324848887	510.392	IJHMAWOBJDWILL-UUYOSTAYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156856
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-7848783294	510.392	SULDGVBRJGIODL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156857
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-2586649876	510.392	ZNJGLAMJRXDRHJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156858
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-9290922862	510.392	SPWSRUXEJGRYCN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-156859
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)COc1ccc(cc1Cl)Cl	MCULE-3023008561	510.392	IJHMAWOBJDWILL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156860
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1Br)C)C(=O)OC	MCULE-8026928075,PC-id_19202149	510.398	NPZWLOOVJDYYGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156861
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1Br)CCC)C(=O)OC	MCULE-7275153617,PC-id_19202155	510.398	UCOMLVGDIXFDNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156862
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1Br)C(C)C)C(=O)OC	PC-id_19202153,MCULE-3600405595	510.398	WBMBQKCACYWXHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156863
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1C(C)C)Br)C(=O)OC	PC-id_19202151,MCULE-3572373596	510.398	YKJREVWBKXZDFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156864
Brc1ccc(CC(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)cc1	EMOLS-id_323179426,MCULE-2241474740	510.403	QRDDVLHNDJRDRC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156865
CC=CC1C(N(CCN1C(=O)[O-])CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1ccc(cc1)OC(F)(F)F	PC-id_87925649,SCHEMBL6010673	510.443	FPKHUXYBXZKPQO-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-156866
C=CCC1N(CCN(C1c1ccc(cc1)OC(F)(F)F)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C(=O)[O-]	PC-id_69635209,SCHEMBL6010679	510.443	ZGWHAUPMIUTNCQ-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-156867
CC=C[C@@H]1N(CCN(C1c1ccc(cc1)OC(F)(F)F)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C(=O)[O-]	PC-id_69635217,SCHEMBL6010685	510.443	FPKHUXYBXZKPQO-AFJQURTJSA-M	00000010100010110001100010000000000000000000000000000000	25-01-156868
Cc1c(c(ccc1)Br)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C(C)(C)S(C)(C)C	SCHEMBL20348514,PC-id_135195388	510.491	JNGJQLVBIWICSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156869
S(=O)(=O)(n1nc(c2CC(OS(=O)(=O)C(F)(F)F)Cc12)C(=O)OC(C)(C)C)c1ccc(cc1)C	PC-id_57585743	510.504	KFBOPHFJWDHTIM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156870
O=C(C1CCc2c1nc(s2)NS(=O)(=O)C1CC1)Nc1ccc(cn1)c1cncc(n1)C(F)(F)F	SCHEMBL21044354,PC-id_138673794	510.513	ZOSXMOMFVSMXKV-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-156871
O=C(C1=CS[C@@H]2N1C(=O)C2)OC(c1nc2n(c1)CCS2(=O)=O)OC(=O)C1=CS[C@@H]2N1C(=O)C2	SCHEMBL8388341,PC-id_67571364	510.521	BULGNNZHUQMAJP-KBPBESRZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-156872
S1(=O)(=O)CCn2c1nc(c2)C(OC(=O)C1=CSC2N1C(=O)C2)OC(=O)C1=CSC2N1C(=O)C2	PC-id_77316221	510.521	BULGNNZHUQMAJP-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-156873
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)c2ccccc2F)sc2CCCc2c1C#N	MCULE-4463163191,EMOLS-id_333689641	510.541	KTPBXFCRYLEVGS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156874
c1(NC(=O)COc2nonc2CC(=O)N2CCN(CC2)c2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-6609780838,EMOLS-id_333689383	510.541	GRBOMVPDQBIKFC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156875
O=CN/N=NN(c1cc2c(s1)[C@H](CC2)NC(=O)c1ncnc(c1)C(=O)NCc1ccc(c(c1)C)F)C	PC-id_143272508	510.544	GSCHTVUAYMOHHB-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156876
C1C(C[n+]2cncn12)SC1=C(N2C(C(C2=O)NC(=O)/C(=NO)/c2nsc(n2)N)SC1)C(=O)O	PC-id_135955109	510.551	NFUFHSRYAJQIGC-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-156877
C1C(C[n+]2cncn12)SC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NO)/c2nsc(n2)N)SC1)C(=O)O	PC-id_135870496	510.551	NFUFHSRYAJQIGC-YMTOWFKASA-O	00001010100011000001001010000000000000000000000000000000	25-01-156878
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2)Cc1cnc(cc1)C(F)(F)F	SCHEMBL19772057,PC-id_134170886	510.552	MCKCVGOOFGTDOS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-156879
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(o1)CN1CCCC1	SCHEMBL14057987,PC-id_89239056	510.562	SYJZWCXEVMLQQZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-156880
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)C(=O)c1occc1	PC-id_16947989	510.562	LNQNQUULQURDGJ-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-156881
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1c(OC)ccc(NC(=O)C)c1	PC-id_16948120	510.562	ZTJBRNXAQBVQRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156882
c1(NC(=O)COc2nonc2CC(=O)NCC(N(C)C)c2ccc(cc2)O)sc2CCCc2c1C#N	EMOLS-id_333688657,MCULE-3047821468	510.565	DKBPPAWKLVCGPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156883
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)C(=O)O	SCHEMBL4282782,PC-id_68985623	510.565	DCKKFZYFQLVGSS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156884
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCCOC)sc2CCCc2c1C#N	EMOLS-id_332713550,MCULE-9843212464	510.58	NAMQYMDWXZNUCA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156885
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CCCO)sc2CCCc2c1C#N	MCULE-6262940090,EMOLS-id_332715082	510.58	MNEZHEDGTVSUNR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156886
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CC(C)O)sc2CCCc2c1C#N	MCULE-9534043383,EMOLS-id_332717894	510.58	QQVDQGPCGGABPR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156887
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CCOC)sc2CCCc2c1C#N	MCULE-9166951321,EMOLS-id_332711755	510.58	UXXSXMIMJSPBRR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156888
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCCOC)sc2CCCc2c1C#N	MCULE-6471016636,EMOLS-id_332709967	510.58	MUNJKUZLSXPQSE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156889
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccccc2F)sc2CCCc2c1C#N	EMOLS-id_331930655,MCULE-6171448600	510.58	ZFPQJTCFMDRKKR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156890
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-5928781345,EMOLS-id_331923475	510.58	DKIVGHGZCXTWRR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156891
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)c1ccc(F)cc1	PC-id_16947986	510.58	ZGSUIHVIGLYBCF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156892
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_16947985	510.58	OXUHHBCKCRTRCE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156893
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_24223868,MCULE-2201132951	510.582	HXKBOZHGTYCPKZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-156894
s1c2CC(C(O)c2cc1C(=O)Nc1c(c(C2NNC(=O)C(Nc3ncncc3)C2)ccc1F)C)(C)C	PC-id_76817829	510.584	KKGFIMQMVNDSMV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156895
c1(NC(=O)CSc2nc(c3ccc(cc3)OC)c(c(=O)[nH]2)C#N)sc2c(CCC2)c1C(=O)OCC	ZINC22_13942935,PC-id_135590204,EMOLS-id_14865318,TIMTEC224815,CoCoCo_6565705,MCULE-6419164489	510.585	ISOPVVOHFRCSMD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156896
c1(NC(=O)CSc2nc(c3cccc(OC)c3)c(c(=O)[nH]2)C#N)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6565704,MCULE-8607219311,PC-id_135590203,EMOLS-id_14865316,ZINC22_9261914,TIMTEC217410	510.585	IKJDLCTWXVYRQB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156897
C/C(=C(/C=C)SCCCF)/C=C/C=C/C(=O)c1c2N/C(=C/C(=NC)Oc3cc(ccc3)F)/Cn2nc1	PC-id_137305153	510.599	UDRJJUWEJKJTJZ-FZWWFEMWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156898
FCCCS/C(=C(/C=C/C=C/C(=O)c1cnn2c1N/C(=C/C(=NC)/Oc1cccc(c1)F)/C2)C)/C=C	SCHEMBL20085270	510.599	UDRJJUWEJKJTJZ-VHRBAJQQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156899
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)OCCOC	EMOLS-id_328222582,MCULE-3631574793	510.602	KHHXZWGPFADQGM-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-156900
s1c2c(CCC2)c(c1NCc1c(OC)c(OC)c(OC)cc1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_5163890	510.602	ISMJEQCHXRHUQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156901
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053539	510.605	QKESQZGZAGQGTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156902
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-8526123979,EMOLS-id_332714816	510.607	IFJUSZVKDPXNJZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156903
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331924252,MCULE-4874046239	510.608	IYQJXMBGZVVARA-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156904
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCn2ccnc2)sc2CCCc2c1C#N	MCULE-7564111140,EMOLS-id_331934226	510.608	AJXLRIZCCKFVRG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156905
O=C(ON=C1n2ccnc2SC1(C)C)CNSCNC(=O)ON=C1n2ccnc2SC1(C)C	SCHEMBL11190255,PC-id_53688807	510.613	BLUSPHBGZPIULV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-156906
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCOC)CCOC)sc2c(CCC2)c1C(=O)OCC	PC-id_71778272,EMOLS-id_44828625,MCULE-5512252346,ZINC22_90421196	510.623	AABIEEPKHDYPTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156907
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)C(=O)OCC	PC-id_4952999	510.625	GLGYRYDSUWNLLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156908
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1cc(OCCOc2ccccc2)ccc1)C(=O)OCC	PC-id_4955230	510.625	IIVCMFMFUHCSJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156909
s1c2c(CCC2)c(c1NC(=S)NC(=O)c1c(OCCOc2ccccc2)cccc1)C(=O)OCC	PC-id_4954588	510.625	APRDEUDHNFDCRF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156910
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CC)CCc2ccncc2)sc2CCCc2c1C#N	MCULE-5000219828,EMOLS-id_333774163	510.628	XFZCFRXXKQHMHQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156911
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCCOC)sc2CCCc2c1C#N	MCULE-1148918198,EMOLS-id_331792304	510.628	LDGNRHIPXLDMRN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156912
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331791034,MCULE-1133339319	510.632	MKZIYMVNLPSXFV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156913
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1[nH]nc(c1)C1CC1)C	SCHEMBL6378352,PC-id_59508138	510.632	MCSMTEJYUAZTHX-GARXDOFDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-156914
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)C#N	PC-id_134170912,SCHEMBL19772084	510.632	TVHFBTQIWNNMLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156915
CCS(=O)(=O)c1cnc(nc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)C#N	SCHEMBL19772146,PC-id_134170971	510.632	YNZZQKLGXUUATI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156916
N#Cc1ccc(cc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)C(=O)NCc1ncc(cn1)S(=O)(=O)CC	SCHEMBL18367958	510.632	YNZZQKLGXUUATI-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156917
N#Cc1ccc(cc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ncc(cn1)S(=O)(=O)CC	SCHEMBL18367969	510.632	TVHFBTQIWNNMLG-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156918
N#Cc1ccc(cc1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ncc(cn1)S(=O)(=O)CC	SCHEMBL18367983	510.632	TVHFBTQIWNNMLG-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156919
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4n[nH]c(C5CC5)c4)c3C2)C)C)CC1	PC-id_72310282	510.632	MCSMTEJYUAZTHX-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-156920
n12nc(nc1sc(=Cc1ccc(Br)cc1)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-7150854375	511.219	APDHRPXZSLJIEE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156973
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)C1CCCOCC1)C(=O)O	SCHEMBL20353934,PC-id_135200352	510.645	CTVOMGJLHCMZPM-UHFFFAOYSA-N	00000010100010110100100010000000000000000000000000000000	25-01-156921
c1(c2CCCc2sc1NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)Nc1ccc(cc1)Oc1ccccc1	ZINC22_13940014,CoCoCo_5955315,PC-id_3877672,MCULE-3783024492,EMOLS-id_8596590	510.646	WSGBARZHCVRKCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156922
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CC2CCCO2)sc2CCCc2c1C#N	MCULE-1175329919,EMOLS-id_331920415	510.648	CGCAYDYLMFAAKM-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-156923
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331922463,MCULE-6630624142	510.648	CLKXALXEJOUXIR-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-156924
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CC2CCCO2)sc2CCCc2c1C#N	MCULE-3769876051,EMOLS-id_331921951	510.648	UMOCUSITGIOIEH-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-156925
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331928343,MCULE-8595408815	510.648	XQTGKEMPCZQABT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156926
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331919387,MCULE-1290269817	510.648	OXUIZJBWZOHRBY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156927
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCC2=CCCCC2)sc2CCCc2c1C#N	EMOLS-id_331932944,MCULE-9463315506	510.648	RQSWZUBFUJUBCK-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-156928
S1Cc2c(n(nc2C1)CC(=O)NCCc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1	PC-id_44053778	510.65	HAOLGRVWVPELKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156929
s1c2CN(N(C(=O)CN(CC(=O)NCCCCC)c3c(ccc(c3)c3nc(on3)C)C)C)Cc2cc1	PC-id_58135153	510.652	LWJPBAUGIBRDAF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156930
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CCc1ccccc1)CC=C)C(=O)OCC	PC-id_17047360	510.671	SJDAUIMLKKKBFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156931
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC=C)C(=O)OCC	PC-id_20125117	510.671	RLFQSQMZYXNPPR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156932
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C(=O)OC	PC-id_20124829	510.671	XIWDLMRFLFMHDK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156933
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCCCCCC)sc2CCCc2c1C#N	MCULE-1450626431,EMOLS-id_331925276	510.691	YOXXRUIKUOJCBD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-156934
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331934224,MCULE-1877150027	510.691	JTSQMOOEHXUKQA-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-156935
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331932177,MCULE-1502921072	510.691	BVESTQNGICHCST-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-156936
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCCCCC)sc2CCCc2c1C#N	MCULE-5162735369,EMOLS-id_331931665	510.691	UYTTXAUIVJXOBM-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-156937
n12nc(nc1sc(=Cc1ccccc1Br)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-2386582357	511.219	QTNBZWBKCVPKNB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156974
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCCCC)sc2CCCc2c1C#N	MCULE-1714428086,EMOLS-id_331928337	510.691	VXSVQTJZDBXDNA-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-156938
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCC(C)C)sc2CCCc2c1C#N	MCULE-9205763926,EMOLS-id_331932436	510.691	FAOBWJRBAMQAHE-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-156939
Cc1cccc(n1)CCCCCC1(CCCC1)C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)C	SCHEMBL12849761,PC-id_68405045	510.787	GQBLGINDPOMNRX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-156940
CCCCCCCCCCC1=CS(c2c1scc2CCCCCCCCCC)(C(=O)O)C(=O)O	PC-id_142720004	510.792	UDYXDVHULOPSEN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-156941
CCCCCCC1(CCCCCC)C(=C(c2c1cc([nH]2)N(c1ccc(cc1)C1=CC(=C1)C)C)C)/C=CCC	PC-id_143848270	510.796	GSZJDPFQFRQDMM-ATVHPVEESA-N	00001111100000110000100010000000000000000000000000000000	25-01-156942
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)c2CCCn12	PC-id_139507452,BindingDB-id_980738,SCHEMBL21378318	510.893	NPUBOPZEENTJKA-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156943
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12	PC-id_134285259,SCHEMBL19900981,BindingDB-id_799309	510.893	PLRYALWWOFANTP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-156944
Cn1c2c(cn1)C(N(C2)C(=O)Nc1ccc(cc1)Cl)C(=O)Nc1c(cc(cc1)N1C=COCC1=O)F	PC-id_90716042	510.905	PVJHGAHSMUPUHY-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-156945
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408626440	510.935	XECZHFVIHFREDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156946
COC(=O)c1c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408619822	510.935	NTTDJGLKCPTLAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156947
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc1F	PC-id_21164579	510.989	AKNAESWOKZLIFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156948
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc(F)c1	PC-id_19633835	510.989	JPVJSXDDVFNYLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156949
Cl.n1[nH]c(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	CHEMBL534499	511.016	CFPJFUWDJOGWFR-GNAFDRTKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156950
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CC(C)C)sc2CCCc2c1C#N	MCULE-4042981633,EMOLS-id_332710473	511.036	DIXXORNHSCNWAT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156951
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CCCC)sc2CCCc2c1C#N	MCULE-9273901602,EMOLS-id_332713548	511.036	KARLLWCRPKWJIN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156952
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(Cl)c2)CCC)sc2CCCc2c1C#N	MCULE-6404306307,EMOLS-id_332711494	511.036	UMFIFYWJSIJMIR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156953
c1(NC(=O)COc2cn(c(cc2=O)CNc2c(C)ccc(Cl)c2)CCC)sc2CCCc2c1C#N	MCULE-9726760881,EMOLS-id_332712008	511.036	XFPZFMUQFGJREC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156954
BrC1(Br)[C@](C1)(C)C(=O)NNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	CoCoCo_6797571,PC-id_29050255	511.252	DRILPAWWQOFRGI-AWEZNQCLSA-N	00100010100000000000000010000000000000000000000000000000	25-01-156975
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2C)CCC)sc2CCCc2c1C#N	EMOLS-id_332711496,MCULE-7505675521	511.036	RTGBFPOUJDJWPG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156955
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CCCC)sc2CCCc2c1C#N	EMOLS-id_332713037,MCULE-8335734882	511.036	DHOAAPPYSNIUIP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156956
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CC(C)C)sc2CCCc2c1C#N	MCULE-8899776455,EMOLS-id_332709962	511.036	VFLFVYSTEFSUJV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156957
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)cc2C)CCC)sc2CCCc2c1C#N	MCULE-5942926286,EMOLS-id_332712520	511.036	DMLPIDLHDSRPIP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156958
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)c(C)c2)CCC)sc2CCCc2c1C#N	EMOLS-id_332713799,MCULE-8387860457	511.036	NUCKTXFBEGFWQO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-156959
CCOC(=O)c1c2CCCc2sc1NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1	PC-id_16644051,CoCoCo_5201735,EMOLS-id_5634661,ZINC22_10382293,MCULE-3605367856	511.054	WHIRTBQWNCSXOH-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-156960
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(F)c(Cl)c1	PC-id_44412811,CHEMBL208666	511.06	NAMQIHKOLZCKIX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-156961
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334328489,MCULE-8881519582	511.075	RMLGEESXIHXAQV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156962
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)CN1CCC(CC1)S(=O)(=O)C	SCHEMBL19772041,PC-id_134170871	511.1	GMZDCGJCSWGNCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156963
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)CN1CCC(CC1)S(=O)(=O)C	PC-id_134166999,SCHEMBL19767339	511.1	GMZDCGJCSWGNCK-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156964
C1C2=CN(N=C2CN1C(=O)C(CO)C3=CC=CC=C3OCCO)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931912	511.134	KAWIWYYHKWELAY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156965
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3OCCO)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931932	511.134	KAWIWYYHKWELAY-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156966
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3OCCO)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931976	511.134	KAWIWYYHKWELAY-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-156967
CC1CCC(N1S(=O)(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278742	511.195	FRLWJNSZJNICBH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156968
C1CCN(CC1)C(=O)N2CC3=C(C2)NN=C3C(=O)N4CCC(CC4)C5=C(C(=CC(=C5)F)F)C(F)(F)F	PC-id_153298004	511.201	QXOMYMNNIAMTLW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156969
CCCCC(CS(=O)(=O)C1=Nc2c([Te]1)c(sc2C(C)(C)C)C(C)C)CC	PC-id_144449394	511.212	SEBJTKCADGNGLH-UHFFFAOYSA-N	00000001100000000001000010000000000000000000000000000000	25-01-156970
Clc1ccc(OCCCc2nc3s/c(=Cc4ccc(Br)cc4)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324915202	511.219	APDHRPXZSLJIEE-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156971
Clc1ccc(OCCCc2nc3s/c(=Cc4ccccc4Br)/c(=O)n3n2)c(Cl)c1	EMOLS-id_324916228	511.219	QTNBZWBKCVPKNB-YVLHZVERSA-N	00000000100000110001000010000000000000000000000000000000	25-01-156972
BrC1(Br)[C@@](C1)(C)C(=O)NNC(=S)Nc1sc2c(CCC2)c1C(=O)OC	CoCoCo_6797572,PC-id_29050252	511.252	DRILPAWWQOFRGI-CQSZACIVSA-N	00100010100000000000000010000000000000000000000000000000	25-01-156976
C1(C)(C(=O)NNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)CC1(Br)Br	MCULE-3538223352,EMOLS-id_4177529,PC-id_4508596,TIMTEC130574	511.252	DRILPAWWQOFRGI-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-156977
CC1=C(C=CC(=C1)F)C2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCN(CC5)C(=O)CO	PC-id_151403176	511.259	OWYCDOKOAGDFRI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156978
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)N[C@H](CO)C3=CC=CC=C3)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_147093545	511.261	BJGYAOZLGMYQPV-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-156979
Brc1oc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_19724720	511.413	IPGOFILURRPBQV-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-156980
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_19724570	511.413	SDUZZPATIZEZOU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-156981
O=C(NC[C@H]1C=C[C@@H](NC(=O)[C@@H]2Cc3nccn3C2)C1)c1ccc(c2ccc(Br)cc2)s1	ZINC22_2325876824	511.434	BYIDLMNNVCZATN-KVSKMBFKSA-N	00000011100100110001100010000000000000000000000000000000	25-01-156982
O=C(NC[C@H]1C=C[C@@H](NC(=O)[C@H]2Cc3nccn3C2)C1)c1ccc(c2ccc(Br)cc2)s1	ZINC22_2325876825	511.434	BYIDLMNNVCZATN-VDZJLULYSA-N	00000011100100110001100010000000000000000000000000000000	25-01-156983
Clc1c(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc(Cl)c1	PC-id_19728924	511.444	MEJKJXACEQAVHJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156984
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc(Cl)c1	PC-id_19728828	511.444	KAIXLAYPYOIKGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156985
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc1Cl	PC-id_19729190	511.444	SBIOWBYRHGQBNX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156986
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc1Cl	PC-id_19729096	511.444	FIVZCKHSFUJVAF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-156987
N/C=C(/C1(NC(=O)C(=O)c2c(C)c(n3c2CCC3)C(=O)Nc2cc(F)c(c(c2)F)F)CC(C1)(F)F)N	PC-id_142295182	511.444	KWCMBISUULXNQO-CHHVJCJISA-N	00001010100000110000000010000000000000000000000000000000	25-01-156988
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1CC=Cc1ccc(cc1)OC(F)(F)F)C(=O)O	PC-id_90731615	511.451	MSQMBFZMBCHUMG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156989
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OCC=Cc1ccc(cc1)OC(F)(F)F	PC-id_90778522	511.451	DYOWKVAUVZIHEJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156990
CC=CC1C(N(CCN1C(=O)O)CC1(Cn2cc(nc2O1)[N+](=O)[O-])C)c1ccc(cc1)OC(F)(F)F	PC-id_87925650	511.451	FPKHUXYBXZKPQO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156991
FC(F)(F)Oc1ccc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2CC=C)C(=O)O)cc1	PC-id_69635210	511.451	ZGWHAUPMIUTNCQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156992
FC(F)(F)Oc1ccc(C2N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN([C@H]2C=CC)C(=O)O)cc1	PC-id_69635218	511.451	FPKHUXYBXZKPQO-AFJQURTJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-156993
FC(F)(F)Oc1ccc(C=CCC2N(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CCN(C2)C(=O)O)cc1	SCHEMBL6010668,PC-id_69635197	511.451	MSQMBFZMBCHUMG-MRNPHLECSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156994
O=C(N1CCN(CC1)C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])OCC=Cc1ccc(cc1)OC(F)(F)F	PC-id_140519112	511.451	DYOWKVAUVZIHEJ-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-156995
Brc1cc(c(OCC(C)C)cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_17051132	511.452	IWLCCKARXHPTDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156996
Brc1cc(c(OCCCC)cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_17350395	511.452	KRQNOHMSCJORDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156997
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c(OC(C)C)cc1	PC-id_17051946	511.452	FACZZTDGRHXYAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156998
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCC)cc1	PC-id_17351999	511.452	YJOBQKHKXGBKFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-156999
Brc1c(OCC(C)C)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_17352205	511.452	VVSYJXRAVSLHDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157000
Brc1c(OCCCC)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_4956025	511.452	OMPIBZYJXRSGCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157001
Brc1c(OCCC)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_17342992	511.452	QAAPRXOZGJBLFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157002
Brc1c(OC(C)C)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_17355717	511.452	GHMZAHGTDMTDSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157003
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(c1)C#N	SCHEMBL19920680,PC-id_134302962,BindingDB-id_799343	511.456	TVDKDCNXUBZVDN-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-157004
Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1	PC-id_139507383,SCHEMBL21378241,BindingDB-id_980718	511.456	GBHSASXOZZICCC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-157005
O=C(Nc1noc(c1)C1(CC1)C(F)(F)F)Cc1ccc(cc1)c1cnc(nc1)Nc1cnn2c1OCC2	SCHEMBL18421373	511.456	YIPQMAAZGYLPSG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-157006
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_18848757,MCULE-8048768055	511.461	XQOXRBOVGOHIOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157007
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)N2CCCCC2)c(c1F)C(F)(F)F	PC-id_118483486,BindingDB-id_435326,BindingDB_PC-id_118483486,SCHEMBL17223007	511.488	XQDWHCGDXCNVJZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157008
CC1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)C)C#N)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC	PC-id_134598979,SCHEMBL20252879	511.52	DUZKULXILJNHJF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157009
NC(=O)COc1ccc(cc1)CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_10229369,SCHEMBL2920120	511.529	VDEQCMRCZXWYGG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157010
NC(=O)COc1cccc(c1)CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1	SCHEMBL2917976,PC-id_10118408	511.529	NDBCSVCQDFFIPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157011
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1nnc(cc1)C(F)(F)F	SCHEMBL19772061,PC-id_134170889	511.54	ZCPAPYDQJGUBFE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157012
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2)Cc1cnc(nc1)C(F)(F)F	PC-id_134170736,SCHEMBL19771903	511.54	FZGMVKXXLPVPQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157013
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1sc2c(n1)CN(C2)Cc1ccc(cn1)C(F)(F)F	PC-id_134171032,SCHEMBL19772212	511.54	RUAQXXZUTRYMHD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157014
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1ccc(cc1)C(F)(F)F	SCHEMBL19771958,PC-id_134170790	511.54	SDZUSZKCDKXHLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157015
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(F)cc3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053644	511.544	XVXSCCJEXWDKEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157016
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(OCC)c(OCC)c2)sc2CCCc2c1C#N	MCULE-9961907496,EMOLS-id_333651856	511.55	UOUHQUHPXNPVPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157017
c1(NC(=O)COc2nonc2CC(=O)NCCc2ccc(OC)c(OC)c2)sc2CCCc2c1C#N	EMOLS-id_333682271,MCULE-6979410475	511.55	ZIUAYUJNPJJLAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157018
CCOC(=O)n1nc(c2c1CN(C2)S(=O)(=O)Cc1ccc(cc1)NC(=O)C)NC(=O)c1ccccc1	PC-id_141417097	511.55	PMPZGPQUSPVIKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157019
CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	PC-id_68990580,SCHEMBL4293066	511.553	GKOMXSVIOXFGLE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157020
CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24750590,SCHEMBL4293061	511.553	HPFINIVXLMLMLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157021
s1c2CCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2occc2)cc1)C#N	PC-id_16537409	511.57	IGZKRMGZASXOQN-DHZHZOJOSA-N	00000010101000110000000010000000000000000000000000000000	25-01-157022
s1c2CCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(S(=O)(=O)NCc2occc2)cc1)C#N	PC-id_73269434	511.57	IGZKRMGZASXOQN-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-157023
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2sccc2)ccc1)C(=O)OCC	PC-id_3506998	511.57	YIASJGIONCECPS-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-157024
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2sccc2)ccc1)C(=O)OCC	PC-id_9623619	511.57	YIASJGIONCECPS-DHRITJCHSA-N	00000010100100110000000010000000000000000000000000000000	25-01-157025
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2sccc2)cccc1)C(=O)OCC	PC-id_3423202	511.57	XPGUMVQMSOTHFD-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-157026
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2sccc2)cccc1)C(=O)OCC	PC-id_9668143	511.57	XPGUMVQMSOTHFD-DHRITJCHSA-N	00000010100100110000000010000000000000000000000000000000	25-01-157027
C1C=CN(N1)c1ccc(cc1)C(=O)Nc1cc2c(s1)CN(S2(=O)=O)C(c1ccccc1)C(=O)NO	PC-id_88240662,SCHEMBL8037121	511.573	HTWHOZMDJVKQRS-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-157028
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(F)cccc1C(F)(F)F	PC-id_140883008	511.588	WLOYXXFNAIIKIP-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157029
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCc1cc(OC)c(OC)cc1	PC-id_16948021	511.59	ULBLKDUEEGYYOV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157030
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-2028976274	511.591	IKEIKRDZSWBAAI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-157031
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-8601454595,EMOLS-id_332715853	511.595	MGLDLEWMELPYIQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157032
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_332713039,MCULE-7078063964	511.595	KEDORAXBHLZNRM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157033
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-8201162717,EMOLS-id_332714822	511.595	XMITUBHQULOBHT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157034
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCO)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333774674,MCULE-4498264697	511.613	OGNNSJKHYKSCAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157035
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331792317,MCULE-1386329877	511.613	FHMIWPVCKWEOBN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157036
CCCC1(C)OC(=C(C(=O)O1)C=CC(=CC=c1c(C)nn2c1nc(n2)C(CNC(=O)CC(C)C)C)C)O	SCHEMBL13616165	511.613	SXUZUBXKFHJURV-UHFFFAOYSA-N	00000000100011000001000010000000000000000000000000000000	25-01-157037
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)OC	SCHEMBL14054964,PC-id_89236529	511.613	WRPJAUZDBLRMRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157038
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1OC	SCHEMBL14055813,PC-id_89237233	511.613	BXAKYOIPGLXRQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157039
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(c(c1)OC)C(=O)NCCc1ccccc1	PC-id_89237483,SCHEMBL14056098	511.613	DQBKZPNNGOTRNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157040
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1OC)NC(=O)CCc1ccccc1	PC-id_89237205,SCHEMBL14055783	511.613	OKYQNBJHJIJDKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157041
s1c2c(CCC2)c(c1NC(=O)c1cc(S(=O)(=O)N(c2c(OC)cccc2)CC=C)ccc1)C(=O)N	PC-id_2491409	511.613	UCVVRFFHPRHSEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157042
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331790512,MCULE-4421915484	511.616	SFESQIWFKFEVGJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157043
C=C1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1oc(nc1C)C)C	SCHEMBL14038524	511.616	MHGKXHGMKBWGAH-OAHLLOKOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157044
CC1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c([C@@H]1C)[nH]nc2NC(=O)c1noc(c1)C1CC1)C	PC-id_71053294,SCHEMBL14038612	511.616	KRNZPZPYORCCFY-SKQWJGTPSA-N	00100010100010000001100010000000000000000000000000000000	25-01-157045
CC1CN(C(=C)CN1CC1CCOCC1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(nc(o1)C)C	PC-id_89229053	511.616	MHGKXHGMKBWGAH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157046
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1noc(c1)C1CC1)C	PC-id_59508235,SCHEMBL6378253	511.616	KRNZPZPYORCCFY-GARXDOFDSA-N	00100010100010000001100010000000000000000000000000000000	25-01-157047
C[C@H]1CN(CC2(O)CCOCC2)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	SCHEMBL18155637,PC-id_122626097	511.616	ZLHSZKCSCGUXKA-ZVAWYAOSSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157048
C[C@H]1CN(CC2(O)CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccn1)C	PC-id_59508355,SCHEMBL596163	511.616	ZLHSZKCSCGUXKA-MSOLQXFVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157049
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1coc(n1)C1CC1)CC1CCOCC1	SCHEMBL6378501,PC-id_59508240	511.616	OMOISPRVIXHSFF-INIZCTEOSA-N	00100010100010000001100010000000000000000000000000000000	25-01-157050
COc1cccc(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	PC-id_59508141,SCHEMBL6377400	511.616	FIWPGMWTGHKROO-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157051
COc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1	PC-id_59508191,BindingDB_PC-id_59508191,SCHEMBL597618	511.616	DXTWWJCNFRMOSX-SJORKVTESA-N	00000010100010101001100010000000000000000000000000000000	25-01-157052
COc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	SCHEMBL6378437,PC-id_59508356	511.616	ZSOCSFVBLLYYKL-KRWDZBQOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157053
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4noc(C5CC5)c4)c3C2)C)C)CC1	PC-id_72310372	511.616	KRNZPZPYORCCFY-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-157054
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(OC)cc4)c3C2)(C)C)C)CC1	PC-id_72310482	511.616	ZSOCSFVBLLYYKL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157055
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4nc(oc4)C4CC4)c3C2)(C)C)C)CC1	PC-id_72310377	511.616	OMOISPRVIXHSFF-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-157056
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4nc(OC)ccc4)c3C2)(C)C)C)CC1	PC-id_72310285	511.616	FIWPGMWTGHKROO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157057
O1CCC(N2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(OC)cc4)c3C2)(C)C)C)CC1	PC-id_72310330	511.616	DXTWWJCNFRMOSX-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-157058
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccccc2F)sc2CCCc2c1C#N	EMOLS-id_331788733,MCULE-9452877602	511.631	AHWUKMYCLTUJLI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157059
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331791282,MCULE-5047905815	511.631	RGWLFWJFLPVPHK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157060
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-6175168480,EMOLS-id_331792052	511.631	KQYQZQCEWHBTQR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157061
CCCOc1ccc(/C=c/2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1OCC	EMOLS-id_324829431	511.635	RAXFPGXZKHSUJF-DIBXZPPDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157062
CCOC(=O)NC(=O)c1c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)sc2c1CCC2	PC-id_41100043,GD-id_ZINC09504955	511.635	LWEUWDBAHOGRPT-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-157063
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCC)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-3896716463	511.635	RAXFPGXZKHSUJF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157064
O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)C)Nc1sc2c(c1C(=O)N)CCC2	GD-id_ZINC08933338	511.635	OOTGEDDXWXKGSN-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157065
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OCC)c1sccc1	PC-id_44027438	511.635	BXQDIVZVRVUIPD-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-157066
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OCC)c1sccc1	PC-id_44028713	511.635	UOEPYZSFWQESFF-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-157067
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_331923992,MCULE-3879888433	511.636	KIJPAHAQJHERNB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157068
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-9479008573,EMOLS-id_331930651	511.636	OFINBDMMLCESQT-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157069
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331920150,MCULE-8246757956	511.636	SCANCKVUGASWEV-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157070
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CCCC)sc2CCCc2c1C#N	EMOLS-id_331920154,MCULE-7066088170	511.636	ZGZXYCQZAVCUSX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157071
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331928092,MCULE-5141201670	511.636	GPOBQYHDKVSXIK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157072
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-5141138676,EMOLS-id_331928604	511.636	COKHOSXDAWLSDL-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-157073
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CCCC)sc2CCCc2c1C#N	MCULE-1575142885,EMOLS-id_331921432	511.636	KKQRGWARGIVYSU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157074
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CC(C)C)sc2CCCc2c1C#N	MCULE-4270057323,EMOLS-id_331921428	511.636	MJSKJOPJYBWROJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157075
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331921183,MCULE-6193605171	511.636	XBBNMXHFKONOPY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157076
CCc1c([nH]c(c1C(=O)NCc1cn2c(n1)SCC2)CNc1ccc(cc1)OC)C(=O)OC(C)(C)C	SCHEMBL7114267,PC-id_69993056	511.636	OTEQHIQRJJRMCU-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-157077
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)CSC1NC(CC(=O)N1)C)C(=O)OCC	PC-id_72662728	511.638	QKOSPNHBUZWRBA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157078
CCNCCNC(=O)CN(c1cc(ccc1C)c1noc(n1)C)CC(=O)N(N1Cc2c(C1)ccs2)C	PC-id_68183888,SCHEMBL11975688	511.64	KLXSGAXYXWKKAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157079
s1c2CN(N(C(=O)CN(CCNCC)C(=O)CNc3c(ccc(c3)c3nc(on3)C)C)C)Cc2cc1	PC-id_66881068	511.64	OMHUTSREXDENKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157080
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C(=O)Cc1ccccc1	SCHEMBL19772025,PC-id_134170855	511.656	HSEZHBWFYVAZMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157081
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)C(=O)Cc1ccccc1	SCHEMBL18368106	511.656	HSEZHBWFYVAZMP-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-157082
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)Cc2ccccc2)cc1)C(=O)NC	PC-id_30285712	511.656	MNZCYQNBQHGQBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157083
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331791799,MCULE-4246006438	511.659	SPQVQVGEAATADO-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157084
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCC(C)C)sc2CCCc2c1C#N	MCULE-3955932437,EMOLS-id_331791294	511.659	WMLCKYLAVDOBMS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157085
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331792053,MCULE-3726959742	511.659	FDXQVSLCNIERMC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157086
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCn2ccnc2)sc2CCCc2c1C#N	MCULE-7266351614,EMOLS-id_331788990	511.659	BKEULCKQJPFRQS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157087
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccc(cc1)C)CC=C)C(=O)OC	PC-id_17047666	511.659	LUUJJEOFSCLBGP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157088
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccccc1)CC=C)C(=O)OCC	PC-id_17047687	511.659	VUBPMBWNASEYPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157089
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC=C)C(=O)OCC	PC-id_20127913	511.659	LVCGKRNXHYFUTG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157090
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC=C)C(=O)OCC	PC-id_20128245	511.659	DLCCXSIJIBCCAI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157091
C1(=O)N(C(=O)c2c1c(n[nH]2)C(=O)CCCCCCCCCCCCCCCCC)Cc1ccc(cc1)F	BindingDB_PC-id_46888287,CHEMBL1098807,PC-id_46888287	511.671	WMMNBMRPXBOXDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157092
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331929876,MCULE-2334281191	511.679	LJCYIARAXITTRG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157093
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCCN(C)C)sc2CCCc2c1C#N	MCULE-9297764282,EMOLS-id_331930900	511.679	ABDVKLMLRCGENZ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157094
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331928850,MCULE-5483057861	511.679	GGUMAVNWJZPNGY-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157095
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331922709,MCULE-7174939907	511.679	TWCVGVMUHUQTOR-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157096
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CCCC)sc2CCCc2c1C#N	EMOLS-id_331922713,MCULE-2411240458	511.679	BFSGIVSLJLELLW-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157097
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331928341,MCULE-2940871459	511.679	AZGTVCLDTREGMQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157098
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331928853,MCULE-3359347973	511.679	ROXOOAMWKMARBC-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-157099
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCN(C)C)sc2CCCc2c1C#N	MCULE-6857538229,EMOLS-id_331930392	511.679	IMFROGRUPNPNPI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157100
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCCCC)sc2CCCc2c1C#N	MCULE-3814249961,EMOLS-id_331929873	511.679	LMXQMBMUGIRNQR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157101
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCC(C)C)sc2CCCc2c1C#N	MCULE-7648027451,EMOLS-id_331933460	511.679	PKCWAOKICPOCEW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157102
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCCCCC)sc2CCCc2c1C#N	MCULE-3672039761,EMOLS-id_331934992	511.679	JEXHFQKDLSDKHQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157103
CC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817102	511.689	KAJYTPLAOGZTNE-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157104
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCC2=CCCCC2)sc2CCCc2c1C#N	EMOLS-id_331789501,MCULE-7632029632	511.699	FBKBUTYKVNEVRV-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-157105
CCc1ccc(CN2Cc3sc(NC(=O)Cc4ccc(cc4)S(=O)(=O)CC)nc3[C@@H]2C(C)C)cc1	PC-id_145713345,BindingDB_PC-id_145713345,BindingDB-id_722778	511.699	DGDOTPSHDNOYES-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-157106
CC(C)C1c2c(CN1Cc1ccc(cc1)C(C)C)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134171064,SCHEMBL19772244	511.699	JQRBLFPPPCRUNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157107
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@@H](Cc1ccccc1)C	SCHEMBL19772220,PC-id_134171040	511.699	HEWSLCVIRCBIGK-ICCFGIFFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157108
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@H](Cc1ccccc1)C	SCHEMBL19772239,PC-id_134171059	511.699	HEWSLCVIRCBIGK-SXMXNQBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157109
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CCc1ccc(cc1)C	SCHEMBL18367879	511.699	LYPVIUIITMYAAF-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-157110
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)[C@@H](Cc1ccccc1)C	SCHEMBL18368044	511.699	HEWSLCVIRCBIGK-BCHFMIIMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157111
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)[C@@H](Cc1ccccc1)C	SCHEMBL18368080	511.699	HEWSLCVIRCBIGK-NIYFSFCBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157112
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)[C@H](Cc1ccccc1)C	SCHEMBL18368085	511.699	HEWSLCVIRCBIGK-AFMDSPMNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157113
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)C(C)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368096	511.699	JQRBLFPPPCRUNX-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157114
CC([C@@H](C(c1ccccc1)O)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140817080	511.732	VSZCXTJGNDAOQD-BGERDNNASA-N	00001010100000110001000010000000000000000000000000000000	25-01-157115
CC(OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140817069	511.732	OKTKFTZWUYUAEI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157116
OCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(C)C	PC-id_140817103	511.732	JEVAIMHMULMKFV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157117
OCCCCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817127	511.732	SNINPWMZSUDBTR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157118
OCCCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140301078	511.732	SNINPWMZSUDBTR-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157119
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)NC(c1ccccc1)CC(O)(C)C	PC-id_140817098	511.732	VATHRVVOHZTJKG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157120
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N[C@@H](c1ccccc1)CC(O)(C)C	PC-id_141630846	511.732	VATHRVVOHZTJKG-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157121
Brc1ccc(OCc2nn3C(=O)C(Sc3n2)CC(=O)Nc2cc(Cl)c(F)cc2)cc1	PC-id_46872129	511.752	VHXWNLSFSHJRBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157122
n12nc(nc1sc(=Cc1ccc(Cl)c(c1)N(=O)=O)c2=O)CCCOc1ccc(cc1Cl)Cl	MCULE-8604401876	511.766	KQRYKRNFBGOXAS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157123
[O-][N+](=O)c1cc(/C=c/2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)ccc1Cl	EMOLS-id_324915205	511.766	KQRYKRNFBGOXAS-MFOYZWKCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157124
COC(=O)c1c(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408603755	511.827	FTRSVEYVTRIIDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157125
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)sc2CCCc2c1C#N	MCULE-2966321953,EMOLS-id_333677558	511.862	IJMOUFJHQIWDQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157126
Clc1ccc(OCc2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_3566322	511.956	KRWGOFCDMZCWQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157127
Clc1ccc(COc2ccc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_3494618	511.977	VSFOMAWNRONFCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157128
Clc1ccc(COc2ccc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_9623133	511.977	VSFOMAWNRONFCI-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157129
Clc1ccc(COc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)ccc2)cc1	PC-id_19659338	511.977	RMCWWEBVFDUZQE-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157130
Clc1ccc(COc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)ccc2)cc1	PC-id_73633826	511.977	RMCWWEBVFDUZQE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157131
Clc1cc(COc2ccc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_19660144	511.977	JPZLWFKSDNCENM-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157132
Clc1cc(COc2ccc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_73634608	511.977	JPZLWFKSDNCENM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157133
Clc1c(COc2ccc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_19659752	511.977	QRZUZERTMMKNTH-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157134
Clc1c(COc2ccc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_73634231	511.977	QRZUZERTMMKNTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157135
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_16924121	511.999	LDBFWCOLSCNOLK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157136
COC(=O)NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	GD-id_ZINC08978011	511.999	LDBFWCOLSCNOLK-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157137
CCN(c1ccc(cc1)Cl)C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL2093261,PC-id_67275084	512	XZNGGQDPULWYNE-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157138
CCN(c1ccc(cc1)Cl)C1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL2093264,PC-id_67275085	512	XZNGGQDPULWYNE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157139
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-7710875786,PC-id_4692191	512.017	KXIWFQDTIPSLNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157140
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2CCCc12	EMOLS-id_327840345,PC-id_1651549	512.017	KXIWFQDTIPSLNB-GXDHUFHOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157141
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)sc2c1CCC2	PC-id_4852954,ZINC22_13141493,MCULE-9239434411,CoCoCo_3374187,EMOLS-id_43859279	512.042	MFZGWWGOGTYCOV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157142
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)Cl)CC=C)sc2CCCc2c1C#N	EMOLS-id_331790259,MCULE-3591212332	512.043	XYEBGVCVXCEGHN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157143
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)C4(COC4)C5=C(C=CC=N5)Cl)CC(F)F	PC-id_164931981	512.085	DWFWLGNRMDLIIO-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-157144
C1C2=CN(N=C2CN1C(=O)[C@H](CO)C3=CC=CC=C3OCCO)S(=O)(=O)C4=NN(C=N4)CC(F)F	PC-id_164931913	512.129	LATQZBZZQUIPPJ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157145
C1C2=CN(N=C2CN1C(=O)[C@@H](CO)C3=CC=CC=C3OCCO)S(=O)(=O)C4=NN(C=N4)CC(F)F	PC-id_164931930	512.129	LATQZBZZQUIPPJ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157146
CC1=CN2CC(CC2=C1C(=O)NC3=CC(=C(C=C3)F)C(F)F)C(=O)C(=O)NC4(CC(C4)(F)F)C(=O)N	PC-id_153433687	512.148	KEFHRNNBNKHHPD-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157147
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=CC=C(C=C4)OC	PC-id_148836250	512.18	OUQJKLIRIXFCQI-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157148
COC1=CC=C(C=C1)CN2C(=CC(=N2)C3=COC=C3)NC4=C(C(=CC(=C4)O)O)C(=O)N5CC6=C(C5)NN=C6	PC-id_155268941,CHEMBL4475364	512.181	FMLCRQSJSZOCTM-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-157149
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5)C)Cl)C	PC-id_151749497	512.255	ROFJORPHMNICGR-BGYRXZFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157150
Ic1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cccc1	PC-id_44053151	512.365	ABUMGRXHMNFHEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157151
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)C	MCULE-5332523653	512.376	FQJKNCYPJBZTKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157152
Brc1csc2c1[C](C)C(=C2[Si](C1=c2scc(c2=C([C]1C)C)Br)(C)C)C	SCHEMBL14490495	512.396	RSOPWKQHULSTLA-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-157153
C1COCCC1N(c1c(ccnc1)C(=O)Nc1nn(c2c1CN(C2)C(=O)O)C(=O)O)C(=O)C(F)(F)F	PC-id_87723876,SCHEMBL4756064	512.396	NGLLCFRWAUDINL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157154
Cc1sc2c(c1Br)[CH]C(=C2[Si](C1=c2sc(c(c2=C[C]1C)Br)C)(C)C)C	SCHEMBL14490460	512.396	ZVHGXSZPSKTWOS-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-157155
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C#C)F)C(=O)Nc1c(c(ncc1)C(F)F)F	PC-id_134586619,SCHEMBL20238952	512.404	DRGAONFNIOHMQY-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-157156
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C#C)F)C(=O)Nc1c(c(ncc1)C(F)F)F	PC-id_134302942,SCHEMBL19920660	512.404	DRGAONFNIOHMQY-LLVKDONJSA-N	00001010100000101000000010000000000000000000000000000000	25-01-157157
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccc(Cl)cc2Cl)sc2c(CCC2)c1C#N	MCULE-7968056473	512.408	IFJKQTTVIZFYEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157158
Clc1ccc(/C=C/C(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)c(Cl)c1	EMOLS-id_323196021	512.408	IFJKQTTVIZFYEM-CSKARUKUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157159
c1(NC(=O)CSc2nnc(Cc3ccc(cc3Cl)Cl)o2)sc2c(CCC2)c1C(=O)OCC	ZINC22_27525806,EMOLS-id_10084662,PC-id_23825865,CoCoCo_6270224,MCULE-3378477919	512.429	ONXITEQLUMWWCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157160
Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)C(=O)N	PC-id_139525503,BindingDB-id_980735,SCHEMBL21398801	512.429	BMLIHUFDJSEXKV-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157161
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)F)C(=O)Nc1cc(c(cc1)F)F	SCHEMBL19920730,PC-id_134303010	512.429	SDAZRWFJYLRAQW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157162
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)n2C[C@H](F)Cc12	BindingDB-id_799355,SCHEMBL19920706,PC-id_134302987	512.429	SDAZRWFJYLRAQW-LLVKDONJSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157163
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn12	PC-id_139507434,BindingDB-id_980745,SCHEMBL21378299	512.429	QWOQLQLDANTUPW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157164
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2CCCc12	PC-id_134285149,BindingDB-id_799342,SCHEMBL19900852	512.429	VYYKUQQLYHPWKI-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157165
O=C(C1Cc2n(C1)c(c(c2)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N)Nc1ccc(c(c1)C(F)F)F	PC-id_139507436,SCHEMBL21378301	512.429	QEJINWRLYXEXFJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157166
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C(F)(F)F)C	PC-id_117999656,SCHEMBL16624977	512.459	ZAIYZDUATBYBOZ-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157167
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)COc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C(F)(F)F)C	SCHEMBL19704652	512.459	ZAIYZDUATBYBOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157168
c1(c2CCCc2sc1NC(=O)CCNC(C)c1ccccc1)C(=O)Nc1ccc(cc1)Br	EMOLS-id_2785838,MCULE-6488900475,TIMTEC503946,PC-id_3838371	512.462	VLWKWROORICRID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157169
C[C@H](NCCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1ccccc1	PC-id_26875578,ZINC22_15946935,CoCoCo_6724266	512.462	VLWKWROORICRID-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157170
C[C@@H](NCCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1ccccc1	ZINC22_15946933,CoCoCo_6724265,PC-id_26875575	512.462	VLWKWROORICRID-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157171
Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)N2CCNCC2)c(c1F)C(F)(F)F	BindingDB_PC-id_118483417,PC-id_118483417,SCHEMBL17222944,BindingDB-id_435367	512.476	RKXFRRIIBPDSGE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157172
Fc1cc(Cl)c(c(c1)Cl)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140882939	512.48	GIIKWNQUMGBRGU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157173
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)nn2c1N(CC2)[C@@H](c1ccc(cc1)C(F)(F)F)C	SCHEMBL18758444	512.523	SDDLGGFTIRTSML-QGZVFWFLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-157174
CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCC(F)(F)F)C[C@@H]2C)C3(C)C)n1	PC-id_59333971,BindingDB-id_546057,SCHEMBL3327620,BindingDB_PC-id_59333971	512.547	POIRLJYNLLYECE-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157175
FC(F)(F)CCN1C(CN(C(C1)C)C(=O)N1C(c2[nH]nc(Nc3nc(ncc3F)CC)c2C1)(C)C)C	PC-id_72257747	512.547	POIRLJYNLLYECE-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157176
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332710730,MCULE-2828211945	512.571	CIJVGMYNYATGFU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157177
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CCCC)sc2CCCc2c1C#N	MCULE-3293338631,EMOLS-id_332713805	512.571	HCRWFSGPPCTLAS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157178
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)Cc2ccco2)sc2CCCc2c1C#N	MCULE-3037744404,EMOLS-id_331923487	512.578	NEOZTOYMJILZJK-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-157179
S1Cc2c(nn(c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053473	512.578	AOHNCLCYEYCSOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157180
Brc1scc2C(=O)N(CC(CCCCCCCCCC)CCCCCCCC)C(=O)c12	PC-id_71485698	512.586	DSXNHQVTQKRSGD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-157181
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C(c1ccccc1)OC(F)(F)F	SCHEMBL19542182	512.588	FDKRMAOAVFAEIA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157182
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)[C@@H](c1ccccc1)OC(F)(F)F	SCHEMBL19537516	512.588	FDKRMAOAVFAEIA-QGZVFWFLSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157183
OCC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)C(C)C	PC-id_57791612,SCHEMBL13786567	512.598	WTDNZMCRRDKQBL-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157184
OCC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)C(C)C	PC-id_57791683,SCHEMBL13786565	512.598	DUIOWVVFEFLYNO-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157185
OCC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)C(C)C	SCHEMBL13786543,PC-id_57791660	512.598	WTDNZMCRRDKQBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157186
OCC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)C(C)C	PC-id_57791761,SCHEMBL13786542	512.598	DUIOWVVFEFLYNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157187
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1F	SCHEMBL4282966,PC-id_24751044	512.6	MTIAAXAIWPICKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157188
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	SCHEMBL4285322,PC-id_24751045	512.6	BAQKDTLBMBUNCI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157189
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccc(cc1)F	SCHEMBL4287193,PC-id_24751183	512.6	BYADVTHZUJCHCF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157190
c1(NC(=O)COc2cn(c(cc2=O)C)CCc2ccc(cc2)S(=O)(=O)N)sc2CCCc2c1C#N	EMOLS-id_331631557,MCULE-1305650560	512.601	QXEKWDPXUSSKCQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157191
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)N1CCN(C(C1)C)C	SCHEMBL2928406,PC-id_21874041	512.601	FDAHXKBATUZJAR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157192
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)N1CCN(CC1)CC	SCHEMBL2929524,PC-id_21874021	512.601	YKMCBHYFKWPJAY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157193
c1(NC(=O)C(=Cc2ccc(cc2)OCC)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2559388641	512.619	BQWGMRMXRIOJAP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-157194
CC(C)C1c2c(CN1Cc1c(cc(cc1)C#N)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	PC-id_134171043,SCHEMBL19772223	512.619	YHZUIUDYDYPPFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157195
CC(C)C1c2c(CN1Cc1cc(c(cc1)C#N)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772106,PC-id_134170933	512.619	LOOZIHKVNFYJCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157196
CC(C)C1c2c(CN1Cc1ccc(cc1)C#N)sc(n2)NC(=O)Cc1c(cc(cc1)S(=O)(=O)C)F	PC-id_87056600	512.619	ZTSPFTMBQGENTP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157197
CC(C)[C@H]1c2c(CN1Cc1c(cc(cc1)C#N)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL19767343,PC-id_134167003	512.619	YHZUIUDYDYPPFM-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157198
CC(C)[C@@H]1N(Cc2ccc(cc2)C#N)Cc2sc(NC(=O)Cc3ccc(cc3F)S(=O)(=O)C)nc12	BindingDB_PC-id_87056600,BindingDB-id_722832,SCHEMBL16224734	512.619	ZTSPFTMBQGENTP-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157199
CC(C)[C@@H]1N(Cc2ccc(C#N)c(F)c2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB-id_722782,PC-id_145713347,BindingDB_PC-id_145713347	512.619	MQQADRGEYQQKLP-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157200
CC[C@@H]1N(Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C)[C@H](c1ccc(c(c1)F)C#N)C	SCHEMBL18368014	512.619	GKQMXQNHZCOKTP-BTYIYWSLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157201
CCOc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c2ccccc2)cc1	EMOLS-id_334338217	512.619	BQWGMRMXRIOJAP-XIEYBQDHSA-N	00000010101000110000000010000000000000000000000000000000	25-01-157202
[C-]#[N+]c1ccc(cc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1F)S(=O)(=O)C	PC-id_140834730	512.619	KMGVCXYHWLKOJC-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157203
CCOC(=O)c1c(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408616173	512.641	WTHFCEZDROLQEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157222
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_117983701,SCHEMBL16605955	512.619	OBVWHJPTTFXBJA-MSOLQXFVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157204
Fc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_66738801,SCHEMBL596955	512.619	QNDBHUBVCRWJJD-MSOLQXFVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157205
Fc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL18155660,PC-id_122626119	512.619	OBVWHJPTTFXBJA-ROUUACIJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157206
Fc1ccc(C(=O)Nc2n[nH]c3C(N(C(=O)N4C(CN(C(C4)C)CC4CCOCC4)C)Cc23)(C)C)cc1	PC-id_77182930	512.619	QNDBHUBVCRWJJD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157207
N#Cc1ccc(cc1F)CN1Cc2c([C@@H]1C(C)C)nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368031	512.619	LOOZIHKVNFYJCN-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157208
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331925008,MCULE-8351163640	512.621	RMSTWSIDNFIJIT-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157209
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331927578,MCULE-2559788251	512.621	GTOFNSQXNHFDKA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157210
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)C(c1ccccc1)c1ccccc1	PC-id_44053491	512.623	GTIATJSSKVKUPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157211
S1Cc2c(nn(c2NC(=O)Cc2ccc(cc2)c2ccccc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053601	512.623	WPOPXNNVLABDBY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157212
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-5055456647,EMOLS-id_331931419	512.624	QYISQMPBNUZDOP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157213
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)CSC1NC(N)CC(=O)N1)C(=O)OCC	PC-id_72662802	512.626	JCDKKPPGFHWWBL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157214
CCc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)c1ccc(C)cc1	ZINC22_408576064	512.641	QZZHSDWCTMMYGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157215
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)sc2c1CCC2	ZINC22_408617350	512.641	GHISKJBFHQFLMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157216
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)sc2c1CCC2	ZINC22_408630236	512.641	PUBQEJWEFSIFHD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157217
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)sc2c1CCC2	ZINC22_408608628	512.641	OHPORSDMEYJRIW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157218
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)sc2c1CCC2	ZINC22_408613200	512.641	VUBCXQZNVWEJAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157219
CCOC(=O)c1c(NC(=O)c2ccc(N(Cc3ccccc3C)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408616794	512.641	CCJBDAAKMRXRCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157220
CCOC(=O)c1c(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408617503	512.641	GTMBGRMWUVBHMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157221
CCOC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408621895	512.641	PXCPGVBDDYHEPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157223
CCOC(=O)c1c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408614442	512.641	CHEYQVDDJJXJPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157224
CCOC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408618580	512.641	KFQNUFVOZPLHLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157225
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408627387	512.641	ZVPIZSBICORWAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157226
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408630904	512.641	XTVQFDDBRIXHML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157227
CCOC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408617282	512.641	FXFKSWZDECFNOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157228
CCOC(=O)c1c(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408629997	512.641	LWAXZWHMAPZTDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157229
COC(=O)c1c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408613236	512.641	VYDDBUWSQSZUOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157230
COC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408626342	512.641	WQNZZKLDQGGLCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157231
COC(=O)c1c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408629754	512.641	HJTRYITVLQSTPS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157232
COC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408616710	512.641	HMVNPCYBYSLQNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157233
COC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408620676	512.641	QJPLTAYGDHXTJM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157234
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)Cc2ccccc2)cc1)C(=O)OC	PC-id_16833652	512.641	CWNKPAIGMXJNKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157235
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C)Cc1ccn(c(=O)c1)C1CC1	SCHEMBL19772142,PC-id_134170969	512.644	XSAXLABGUZDLEI-INIZCTEOSA-N	00100010100000111001100010000000000000000000000000000000	25-01-157236
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)COc1ccccc1)CC=C)C(=O)OCC	PC-id_17047724	512.644	OIYLWNJEXGNBCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157237
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)C)C(=O)OC	PC-id_19642086	512.644	UIYIXNUZRMDPSF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157238
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC=C)C(=O)OCC	PC-id_19732382	512.644	AQOQRGUKWRYWCQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157239
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC=C)C(=O)OCC	PC-id_19732027	512.644	NYXDYWIUFYWXPQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157240
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC=C)C(=O)OCC	PC-id_17262355	512.644	RITGYHUTIRTKGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157241
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC=C)C(=O)OC	PC-id_17263653	512.644	IWZFAIMFKUJXNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157242
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC=C)C(=O)OC	PC-id_17306034	512.644	QOADPMOOAQFFBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157243
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC=C)C(=O)OC	PC-id_19636701	512.644	RKPSXZJBYBDCRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157244
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC=C)C(=O)OC	PC-id_19643499	512.644	SGKQEPHMMHWWLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157245
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC=C)C(=O)OC	PC-id_20128902	512.644	QZYNQMOYDNYWAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157246
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC=C)C(=O)OC	PC-id_21165778	512.644	QJTZNELCLCBYQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157247
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC=C)C(=O)OC	PC-id_21166110	512.644	UZQRGTFKAKZXLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157248
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC=C)C(=O)OC	PC-id_21166433	512.644	GUILOYXFQMGHKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157249
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC=C)C(=O)OCC	PC-id_17304416	512.644	HJKBMJYEWXDRNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157250
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)CC=C)C(=O)OCC	PC-id_17304552	512.644	LHZTUSXNRJBKBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157251
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC=C)C(=O)OCC	PC-id_17305705	512.644	AIVOAMQVPSINBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157252
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C(=O)OCC	PC-id_21165267	512.644	YIXOZNPXRHGXCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157253
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC=C)C(=O)OC	PC-id_19632254	512.644	IWRBOBOWNSITMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157254
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCN(C)C)sc2CCCc2c1C#N	MCULE-1584329467,EMOLS-id_331791546	512.648	QLZKRWGVFYUYSD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157255
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(nn1C)C)C	PC-id_66739116,SCHEMBL598222,BindingDB_PC-id_66739116	512.648	FPKYEGCSKUUKGX-MSOLQXFVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157256
CCn1ccc(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL598634,PC-id_66739206	512.648	LDYYAZHOUVBBNE-MSOLQXFVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157257
CCn1nc(cc1C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1)C	PC-id_59508328,SCHEMBL6378366	512.648	JEXVEKCHIHTPKS-YTYFACEESA-N	00000010100010000001000010000000000000000000000000000000	25-01-157258
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4n(nc(c4)C)C)c3C2)(C)C)C)CC1	PC-id_77183021	512.648	FPKYEGCSKUUKGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157259
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4nn(cc4)CC)c3C2)(C)C)C)CC1	PC-id_77183052	512.648	LDYYAZHOUVBBNE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157260
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4n(nc(c4)C)CC)c3C2)C)C)CC1	PC-id_72310457	512.648	JEXVEKCHIHTPKS-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157261
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(cc1)C(C)C	EMOLS-id_328223863,MCULE-6958398757	512.662	FRBVWKAQHCHWKN-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-157262
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCOCCCC)sc2CCCc2c1C#N	EMOLS-id_331922717,MCULE-8862756464	512.664	ATNLIHFEHFOWTG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157263
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCCCCO)sc2CCCc2c1C#N	EMOLS-id_331931925,MCULE-5843721899	512.664	WUEAVWPDEQOCHT-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157264
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCCCCO)sc2CCCc2c1C#N	MCULE-6739177519,EMOLS-id_331929878	512.664	AFALVPYEWGFBQQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157265
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCCOCC)sc2CCCc2c1C#N	MCULE-2003943137,EMOLS-id_331920922	512.664	LTFSDPPEFNUMCH-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157266
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-2418945501,EMOLS-id_331929110	512.664	PFKIWMHXEXWEEA-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157267
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331930640,MCULE-1879989957	512.664	GFRHKNNYFKTLNP-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157268
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331934995,MCULE-6776680034	512.664	SUUJMLXFTPMVGL-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157269
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCCCCC)sc2CCCc2c1C#N	MCULE-7940885352,EMOLS-id_331934737	512.664	AIIAITVMULPKSG-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157270
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331927831,MCULE-2831786093	512.664	ZDMZTMDHXJPSSE-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-157271
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331931414,MCULE-7505948821	512.664	QJBCDHTYGODYRQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157272
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331922458,MCULE-9974256966	512.664	UVCLQJTUWFLPNY-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157273
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCCOCC)sc2CCCc2c1C#N	MCULE-2209207149,EMOLS-id_331922970	512.664	BVSDOOUWLKTFCI-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-157274
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCCOC)sc2CCCc2c1C#N	MCULE-7709124202,EMOLS-id_331919645	512.664	YBPFPNYDZWZTAP-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157275
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331928848,MCULE-4505855906	512.664	HXVYAPSNPXPDGH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157276
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCC(C)C)sc2CCCc2c1C#N	MCULE-6572304992,EMOLS-id_331933971	512.664	GGTLYYRSJKSNAA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157277
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCCCCCC)sc2CCCc2c1C#N	MCULE-5196102922,EMOLS-id_331925532	512.664	QIPMGZGMTQFSHN-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-157278
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331922207,MCULE-5571963202	512.664	GBVUUWARPGTGNL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157279
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CC2CCCO2)sc2CCCc2c1C#N	MCULE-3955729795,EMOLS-id_331923984	512.664	CRFGJZUGSJIKFO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157280
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCN(C)C)sc2CCCc2c1C#N	MCULE-1251998753,EMOLS-id_331927833	512.667	CSYRHMKAYDYDBT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157281
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCCN(C)C)sc2CCCc2c1C#N	MCULE-9494537463,EMOLS-id_331927573	512.667	FBTYXLMIUXZWBJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157282
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)COc1ccccc1	PC-id_140817130	512.673	JDCWXJXQULDMHA-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157283
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)OCc1ccccc1	PC-id_140817084	512.673	IEJWRIAZDYNSGQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157284
CC(=O)OC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817073	512.673	WNLZBTYBHBGEFF-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157285
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C(=O)OCC	PC-id_20124746	512.687	HXBBACCWVMOXIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157286
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCCCC)CCCC)CC)sc2CCCc2c1C#N	EMOLS-id_331926039,MCULE-2929439489	512.707	HHKZOSGUQQQQCL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157287
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331928593,MCULE-4606478450	512.707	FCSVABQHAAIBIF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157288
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCCCCCC)sc2CCCc2c1C#N	MCULE-1069965296,EMOLS-id_331926300	512.707	BCCMDYNODAAVSV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157289
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCCCCCCCCC)sc2CCCc2c1C#N	MCULE-1658406855,EMOLS-id_331930391	512.707	JDEOUXBPOAFISQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157290
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCCCCC)sc2CCCc2c1C#N	MCULE-2896314955,EMOLS-id_331931921	512.707	QVDORFRLSVMBGY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157291
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CCCC)sc2CCCc2c1C#N	MCULE-6228119323,EMOLS-id_331921689	512.707	FIANXWIEQBWOBC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157292
Brc1c2c(sc1)C([Si](C1C(=C(c3c1scc3Br)C)C)(C)C)C(=C2C)C	PC-id_58526164,SCHEMBL818177	514.412	YQRJRSQBVSDYKN-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-157483
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CC(C)C)sc2CCCc2c1C#N	MCULE-6696278366,EMOLS-id_331921685	512.707	FMQBOWXKKMNLMB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157293
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCC(C)C)sc2CCCc2c1C#N	MCULE-6978316504,EMOLS-id_331932692	512.707	SNKAIGCRGXWZDW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157294
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCCCCC)sc2CCCc2c1C#N	MCULE-9044380245,EMOLS-id_331933713	512.707	OTBLYJWTCSCDAS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157295
O=C(C(S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#C[Si](C)(C)C)C)NOC1CCCCO1	PC-id_145771010	512.715	DXTRLPJTQHTJPK-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-157296
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3c(Cl)nc4scc(C)n34)/c(=O)n2n1	EMOLS-id_324913162	512.82	DUIHCANERIVVCV-NSIKDUERSA-N	00000000100000110001000110000000000000000000000000000000	25-01-157297
n12c(=O)c(=Cc3c(Cl)nc4scc(C)n34)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-6600375297	512.82	DUIHCANERIVVCV-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-157298
Clc1ccc(NC(=O)Nc2n3C(=O)C(=Nc3nn2)C(C(=O)c2ccc(F)cc2)C(=O)C(=O)OC)cc1	PC-id_51059285,SPECS-id_AT-225/NB54713	512.835	JUCJOUBIPHKFMI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-157299
COC(=O)C(=O)C(c1c(n2c(n1)N=N/C/2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)c1ccc(cc1)F	PC-id_137265845	512.835	ZHOUCVUEHZGCCJ-SZXQPVLSSA-N	00000011100000110001000010000000000000000000000000000000	25-01-157300
COC(=O)C(=O)[C@@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)c1ccc(cc1)F	PC-id_137119907	512.835	ZHOUCVUEHZGCCJ-AWEZNQCLSA-N	00000011100000110001000010000000000000000000000000000000	25-01-157301
COC(=O)C(=O)[C@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)c1ccc(cc1)F	PC-id_137119908	512.835	ZHOUCVUEHZGCCJ-CQSZACIVSA-N	00000011100000110001000010000000000000000000000000000000	25-01-157302
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(N3CCOCC3=O)cc2)cc1	PC-id_72557770	512.921	DTBXLNGLHKDFEP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157303
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(N3CCOCC3=O)cc2)cc1	SCHEMBL14097940,PC-id_59773265	512.921	DTBXLNGLHKDFEP-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157304
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2ccccc2Cl)sc2CCCc2c1C#N	EMOLS-id_333662667,MCULE-5316031956	512.969	KUXVGECCOOBNMJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157305
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)c2cccc(Cl)c2)sc2CCCc2c1C#N	MCULE-4499910928,EMOLS-id_333663945	512.969	OZROBUFGRVVPIJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157306
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(Cl)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332717633,MCULE-7188953227	512.984	PJRAALIWIDWCMH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157307
Clc1cc(COCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_5278902	512.985	CTOZXUYDUJAORK-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157308
Clc1cc(COCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_78381737	512.985	CTOZXUYDUJAORK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157309
Clc1c(COCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_5278900	512.985	UGVZZEIIZASBJT-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157310
Clc1c(COCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_78381735	512.985	UGVZZEIIZASBJT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157311
ClCc1ccc(cc1)OCC1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_67275932,SCHEMBL2097423	512.985	RKVVPDNBFAWLNT-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157312
ClCc1ccc(cc1)OCC1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_67275934,SCHEMBL2097427	512.985	RKVVPDNBFAWLNT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157313
Clc1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)NC(CN(C)C)c2ccccc2)(C)C)c(F)c(cc1)C	PC-id_66941374,SCHEMBL1205229	513.007	MNCSKQHMXCEKCA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157314
Clc1c(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N[C@H](CN(C)C)c2ccccc2)(C)C)c(F)c(cc1)C	PC-id_58015606,SCHEMBL1205227	513.007	MNCSKQHMXCEKCA-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157315
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332716102,MCULE-8355992529	513.008	DEOKZYSTLHARIN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157316
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CCCO)sc2CCCc2c1C#N	MCULE-7950055326,EMOLS-id_332717385	513.008	DIGSTYCLKSWYFS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157317
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)Cl)CCOC)sc2CCCc2c1C#N	EMOLS-id_332709963,MCULE-6550513971	513.008	WTNBWLJCWNMWJG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157318
c1(NC(=O)COc2cn(c(cc2=O)CNc2c(C)ccc(Cl)c2)CCO)sc2CCCc2c1C#N	MCULE-2017198496,EMOLS-id_332718144	513.008	BWGPZMOUVWGZLF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157319
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(Cl)c2)CCO)sc2CCCc2c1C#N	MCULE-3791286664,EMOLS-id_332714062	513.008	MRZNCALKPBRNNG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157320
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332715591,MCULE-6552285454	513.008	OLXKQZYZGGDANM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157321
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CCCO)sc2CCCc2c1C#N	EMOLS-id_332716874,MCULE-2568063539	513.008	LWNIQNKEDLVIPE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157322
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2C)CCO)sc2CCCc2c1C#N	EMOLS-id_332717647,MCULE-5453365761	513.008	MHOHFLQQQPUYJJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157323
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(Cl)c2)CCOC)sc2CCCc2c1C#N	EMOLS-id_332713547,MCULE-2068294153	513.008	WZKGLPBTVPITKG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157324
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)cc2C)CCO)sc2CCCc2c1C#N	MCULE-4232820277,EMOLS-id_332718656	513.008	CDADRTMTVTULTF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157325
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)c(C)c2)CCO)sc2CCCc2c1C#N	EMOLS-id_332716111,MCULE-8557105470	513.008	VFDGXNIFUOSIGI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157326
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)c(Cl)c2)CC)sc2CCCc2c1C#N	MCULE-1273119807,EMOLS-id_332714309	513.008	QULRGRPYEJTNGO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157327
Clc1ccc(C2(CCCC2)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc1	PC-id_44053636	513.027	RCVZLAJQXUPMHR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157328
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CCC)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_18880108,MCULE-9685581967	513.03	DCENACAFZNGHSF-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-157329
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C(=O)O	PC-id_161082166	513.099	UGBANNZASJEXBP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157330
CC(C)[C@H](C(=O)NO)N1CC2=C(S1(=O)=O)C=C(S2)NC(=O)C3=CC=CC(=C3)C(=O)C4=CC=CC=C4	PC-id_163753391	513.103	LRYYCLHADXSYIV-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157331
C1CCN(CC1)C(=O)N2CC3=C(C2)NN=C3C(N4CCC(CC4)C5=C(C(=CC(=C5)F)F)C(F)(F)F)O	PC-id_147553881	513.216	FRHOYURPMGMDNZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157332
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COC3=CC=C(C=C3)CN4CCCC4	PC-id_151498014	513.23	PPUYKHDOTGOAKX-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157333
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)c1ccccc1)CC2=O	PC-id_11563009	513.246	DJXVHQJDETYFJU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157334
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOCC3)C(=NN2C(=O)O)NC(=O)C4=CC=C(C=C4)N)C	PC-id_154963528	513.27	YPMUEKLYSOXFAO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157335
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2C(=O)O)NC(=O)C4=CC=C(C=C4)N)C	PC-id_154963526	513.27	YPMUEKLYSOXFAO-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157336
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=C(C=CC(=C3)F)C)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587080	513.275	LKBDRERQTPZASR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157337
Cc1ccc(c(c1)OC(F)(F)F)NC(=O)c1c(sc2c1CCC2)NC(=O)C(Br)(F)F	PC-id_142459571	513.276	YCSIYDNECUTWPQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157338
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NCc1c(Br)ccc(c1F)OC	PC-id_118482465,SCHEMBL17221645	513.357	ZBPYXTGCYONRGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157339
[Sn]1(Sc2sc(=S)sc2S1)(C(CC(=O)C)(C)C)C(CC(=O)C)(C)C	CT-id_2012209	513.36	PFHFUQFHRQKYQU-UHFFFAOYSA-L	00000010100000000001000010000000000000000000000000000000	25-01-157340
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NCc1ccc(cn1)C(=O)O	PC-id_138705387,SCHEMBL21081549	513.392	KCWWDWGKSIKFIG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157341
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NCc1ccc(nc1)C(=O)O	PC-id_138705395,SCHEMBL21081558	513.392	DEJIMFSDYBDDSX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157342
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O)CCC	MCULE-3025810220	513.407	DXLASJLCYFCDDM-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157343
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1OCCOC	PC-id_17356878	513.425	YXHCLVAGZCFLNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157344
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCOC)cc1	PC-id_17357500	513.425	SPSHKFDTNDESFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157345
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)CO)(C(=O)NOP(=O)(O)O)S(=O)(=O)C	PC-id_135306925,SCHEMBL20475001	513.458	UUZSUVITDNAKDL-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-157346
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)CO)(C(=O)NOP(=O)(O)O)S(=O)(=O)C	SCHEMBL20475003,PC-id_135306927	513.458	UUZSUVITDNAKDL-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-157347
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1COP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20475005,PC-id_135306929	513.458	WIWRQDZMYDDQQD-RZQQEMMASA-N	00100010100000000001000010000000000000000000000000000000	25-01-157348
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1COP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20475007,PC-id_135306931	513.458	WIWRQDZMYDDQQD-QRFGBVCESA-N	00100010100000000001000010000000000000000000000000000000	25-01-157349
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)COP(=O)(O)O)C	PC-id_118368850,SCHEMBL18729998	513.458	BHYYHGZTVRGEMU-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-157350
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)COP(=O)(O)O)C	SCHEMBL18729999	513.458	BHYYHGZTVRGEMU-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-157351
Cc1c(n2CCCc2c1CC(=O)NC1(CC(C1)(F)F)C(=O)NC)C(=O)Nc1c(c(ncc1)C(F)F)F	PC-id_134605068,SCHEMBL20259640	513.46	DGDGLQVYTVOSDB-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-157352
CN(C1CCN(CC1)C(=O)OCc1ccc(cc1)OC(F)(F)F)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL5543924,PC-id_69481677	513.467	RZSHYAFAYISYHI-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157353
CNC(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)C(=O)OCc1ccc(cc1)OC(F)(F)F	PC-id_69481678,SCHEMBL5543928	513.467	SKTSLYKHVOVFPC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157354
CNC([C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C1CCN(CC1)C(=O)OCc1ccc(cc1)OC(F)(F)F	SCHEMBL5543920,PC-id_69481676	513.467	SKTSLYKHVOVFPC-ZYZRXSCRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157355
FC(F)(F)Oc1ccc(COC(=O)N2CCC(N(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	PC-id_77659729	513.467	RZSHYAFAYISYHI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157356
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH2+]C(c2ccccc2)C)cc1	PC-id_74514480	513.47	VLWKWROORICRID-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-157357
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH2+][C@@H](c2ccccc2)C)cc1	GD-id_ZINC15946933,PC-id_26875574	513.47	VLWKWROORICRID-MRXNPFEDSA-O	00000010100000110000000010000000000000000000000000000000	25-01-157358
Brc1ccc(NC(=O)c2c3CCCc3sc2NC(=O)CC[NH2+][C@H](c2ccccc2)C)cc1	GD-id_ZINC15946935,PC-id_26875577	513.47	VLWKWROORICRID-INIZCTEOSA-O	00000010100000110000000010000000000000000000000000000000	25-01-157359
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCC)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-5882547912,PC-id_18848772	513.477	RTXSYKBKAIUISK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157360
c1(NC(=O)COc2nonc2CC(=O)Nc2cc(OC)c(OC)c(OC)c2)sc2CCCc2c1C#N	EMOLS-id_333650320,MCULE-5551182167	513.523	JDVQRVAIDIDHDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157361
CCNc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CCC(F)(F)F)F	SCHEMBL19200997	513.535	ZMOMRADTXKDKAQ-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157362
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COS(=O)(=O)O)(C(=O)NO)S(=O)(=O)C	PC-id_135306926,SCHEMBL20475002	513.541	NIOUFOPDJGKVDX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-157363
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COS(=O)(=O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20475000,PC-id_135306924	513.541	NIOUFOPDJGKVDX-LJQANCHMSA-N	00100010100000000001000010000000000000000000000000000000	25-01-157364
O1CCN(CC1)Cc1oc(C(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1	SCHEMBL2920642,PC-id_68441359	513.544	MQUWJCCNOIVVDX-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-157365
CN1CCN(CC1)c1cc(c(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)N=O	PC-id_89188417,SCHEMBL13857426	513.545	DMYTYOKDVHIHSB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157366
CN1CCN(CC1)c1c(cc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)N=O	SCHEMBL13857416,PC-id_89188412	513.545	PZOMLIDWDLNNIK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157367
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)C1CCN(CC1)C(=O)c1cc(ccc1)C(F)(F)F	SCHEMBL14055940,PC-id_89237344	513.553	FWKCUUWJOXTBEL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157368
c1(NC(=O)CNC(=O)c2cc(c(OC)c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8337239867,EMOLS-id_334338213	513.563	UJYMQYYVKIEMOG-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-157369
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-5710054871	513.564	ABVXGZLWBMYSAF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-157370
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-4006939257	513.564	POGBGVJPXHPKRM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-157371
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)c2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_333650065,MCULE-2455166289	513.568	DYIUOIVDSQWELV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157372
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-3402928838,EMOLS-id_333651345	513.568	VZRPISPMJSMLLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157373
c1(NC(=O)COc2nonc2C(=O)N(Cc2ccccc2)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333662410,MCULE-6080234411	513.568	MDNFZFNNTOHGMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157374
CC1(c2c(CN1C(=O)Nc1c(cccc1F)OC(F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_134426741,SCHEMBL20060345	513.576	QOHHFUZUYPSCDN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157375
CC1(c2c(CN1C(=O)Nc1ccccc1OC(F)(F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348574,PC-id_135195442	513.576	HTVWTRDEIPWUPM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157376
CC(C)C(C(=O)NO)N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1cccc(c1)C(=O)c1ccccc1	PC-id_88239752,SCHEMBL8031302	513.586	WPRBONMJWXCDQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157377
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)sc2c1CCC2	PC-id_121040772	513.586	ZIKOOUSAWQZBQS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157378
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccccc2)sc2c1CCC2	PC-id_121041826	513.586	WZXQYJKREIAIAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157379
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccccc2)sc2c1CCC2	PC-id_121043851	513.586	BSQHQJVSTAISQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157380
c1(NC(=O)CSc2nnc(c(=O)[nH]2)c2ccccc2NC(=O)C)sc2c(CCC2)c1C(=O)OCC	MCULE-8769558163,EMOLS-id_14865320,ZINC22_13942936,CoCoCo_6565707,TIMTEC117856,CoCoCo_6565706,PC-id_135590205	513.589	DDEUPDXCASZYCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157381
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331791538,MCULE-9514572347	513.604	UFPMDEDNKFVNAQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157382
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)Cc2ccccc2F)sc2CCCc2c1C#N	MCULE-9191029438,EMOLS-id_331788989	513.604	SIBQZMFAIJWPCS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157383
OCc1ccc(cc1)c1cccc(c1)/C=C/1CCc2c1cc(n2S(=O)(=O)c1ccc(cc1)C)C(=O)OC	SCHEMBL1005025	513.604	KNOHSFQAMIZSDO-KOEQRZSOSA-N	00000010100000110000100010000000000000000000000000000000	25-01-157384
S(=O)(=O)(n1c2CCC(=Cc3cc(ccc3)c3ccc(cc3)CO)c2cc1C(=O)OC)c1ccc(cc1)C	PC-id_66873868	513.604	KNOHSFQAMIZSDO-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-157385
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C(=O)OCC)C2)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334385944,MCULE-5583315086	513.606	DSKNZTWQFIWLAV-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-157386
Fc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_66738968,SCHEMBL597619	513.608	YDCQUHDBMHIQAP-SJORKVTESA-N	00000010100010101001000010000000000000000000000000000000	25-01-157387
Fc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(C(=O)N3C(CN(C(C3)C)CC3CCOCC3)C)Cc12)(C)C	PC-id_77182980	513.608	YDCQUHDBMHIQAP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157388
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CCCO)sc2CCCc2c1C#N	EMOLS-id_331928852,MCULE-7533244455	513.609	HFIZAWVZKHKKCM-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157389
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CC(C)O)sc2CCCc2c1C#N	MCULE-6168477930,EMOLS-id_331926046	513.609	KNZAUQUMLVVFDA-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157390
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C(=O)N)CCOC)sc2CCCc2c1C#N	MCULE-5506524308,EMOLS-id_331920152	513.609	BTQHHXKPTWAIOL-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157391
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331930908,MCULE-6965061822	513.609	IAJRGJCPFDQHFK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157392
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_331927324,MCULE-6049902580	513.609	XRMDVNKISOYSDM-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157393
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CCCO)sc2CCCc2c1C#N	EMOLS-id_331930130,MCULE-1260709089	513.609	PXWKJWPKRLSBLC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157394
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)C)CCOC)sc2CCCc2c1C#N	MCULE-5677595241,EMOLS-id_331921430	513.609	LSDPRYBXEZZVEF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157395
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)C(=O)OCC)CC)sc2CCCc2c1C#N	MCULE-5338842597,EMOLS-id_331927063	513.609	RXQAYLSRDYRTCT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157396
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCN2CCOCC2)sc2CCCc2c1C#N	MCULE-8838996272,EMOLS-id_331924248	513.609	ZFMHYLJRHGFAHN-UHFFFAOYSA-N	00001010100010101001000010000000000000000000000000000000	25-01-157397
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)N1CCC(CC1)N)C	PC-id_118368761,SCHEMBL18729923	513.609	XMJOZVFYCHJWDB-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-157398
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)N1CCC(CC1)N)C	SCHEMBL18729924	513.609	XMJOZVFYCHJWDB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157399
S(=O)(OCCNS(=O)Oc1cc(ccc1)C(=O)OC)NC(C1=NC[n+]2n1nc(C(C)(C)C)c2)C	PC-id_59886755	513.611	DSIFKTJKRKJWQS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-157400
s1nc(c([N+]#[C-])c1N/N=C
/c2n(N=C1C(C)(C)C)c(nn2)C(C(NC(=O)CCC(=O)O)(C)C)(C)C)C	PC-id_21032587	513.616	BSKFBGMUKBHEKD-WGOQTCKBSA-N	00000011100000000001000010000000000000000000000000000000	25-01-157401
s1nc(c([N+]#[C-])c1NN=C1c2n(N=C1C(C)(C)C)c(nn2)C(C(NC(=O)CCC(=O)O)(C)C)(C)C)C	PC-id_73735490	513.616	BSKFBGMUKBHEKD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-157402
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)CCCOC)sc2CCCc2c1C#N	MCULE-7352712140,EMOLS-id_331791024	513.632	VZDJYNCHZLKFKI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157403
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_331789246,MCULE-4296419977	513.632	BDGAAIHDPPCLLK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157404
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-2683308955,CoCoCo_2661282,EMOLS-id_16381909,PC-id_4123719	513.632	VQILMDMFKGXIGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157405
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_4326125,MCULE-2074642582,EMOLS-id_16381915,CoCoCo_2661314	513.632	NCIUMLNUDFRPGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157406
CCC1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1onc(c1)C)C	PC-id_145493429	513.632	ZOFQWQQPGRSLSS-DUSLRRAJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157407
CCc1noc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	BindingDB_PC-id_66738957,PC-id_66738957,SCHEMBL597596	513.632	SRNCFCHUPFTHJL-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-157408
CCc1occ(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_25096173,SCHEMBL597944	513.632	FHCUZTKYMJEHCS-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-157409
CCc1ocnc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL597939,BindingDB_PC-id_66739042,PC-id_66739042	513.632	KAVLXYHMKWVPSW-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-157410
CCc1onc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL597120,BindingDB_PC-id_25095913,PC-id_25095913	513.632	JHPYABVAUDUEST-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-157411
CCCc1onc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL6377438,PC-id_69758759	513.632	KDWWDTIJFAEZQH-DVKDBIPTSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157412
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1nc(oc1C)C)C	SCHEMBL597937,BindingDB_PC-id_59508371,PC-id_59508371	513.632	YBFYCQMSCCFCMG-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157413
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1oc(nc1C)C)C	BindingDB_PC-id_25095914,SCHEMBL597301,PC-id_25095914	513.632	YMLLYQFXVFHVSN-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157414
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4nc(oc4C)C)c3C2)(C)C)C)CC1	PC-id_72310496	513.632	YBFYCQMSCCFCMG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157415
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncoc4CC)c3C2)(C)C)C)CC1	PC-id_77183000	513.632	KAVLXYHMKWVPSW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157416
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4noc(c4)CCC)c3C2)C)C)CC1	PC-id_77708849	513.632	KDWWDTIJFAEZQH-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157417
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4onc(c4)CC)c3C2)(C)C)C)CC1	PC-id_77182973	513.632	SRNCFCHUPFTHJL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157418
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053780	513.632	DKJITHMSJRMZET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157419
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331792062,MCULE-2936242894	513.636	PSWFYOPODZPEHG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157420
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCCCC)sc2CCCc2c1C#N	MCULE-2720635723,EMOLS-id_331788728	513.636	UGZNMYLYMMLISP-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157421
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCN(C)C)sc2CCCc2c1C#N	MCULE-9563712294,EMOLS-id_331928600	513.652	XPNQJIWDVKPCPN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157422
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CCCO)sc2CCCc2c1C#N	MCULE-1335831373,EMOLS-id_331931411	513.652	GNTAEZMUEFRLBI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157423
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CC(C)O)sc2CCCc2c1C#N	MCULE-7537847367,EMOLS-id_331924510	513.652	ZRMOYUDYAJMHJN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157424
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)N(C)C)CCOC)sc2CCCc2c1C#N	MCULE-1781698849,EMOLS-id_331922711	513.652	PNVPCINMYNADFK-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157425
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331931157,MCULE-9689428856	513.652	FYIFTPJOXTZGHI-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157426
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCN(C)C)sc2CCCc2c1C#N	MCULE-3056725419,EMOLS-id_331930903	513.652	TWELZMIDXXABIY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157427
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)CCCOC)sc2CCCc2c1C#N	MCULE-6532818152,EMOLS-id_331921181	513.652	YULDOAXUGZQZGC-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157428
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331921173,MCULE-2657022935	513.652	CTMMQNMDXJSDJZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157429
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CCCC)sc2CCCc2c1C#N	EMOLS-id_331921177,MCULE-8923719769	513.652	CADQCXQKFGNCNP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157430
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331930646,MCULE-1205111875	513.652	BQOKZRYAPFMPJD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157431
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331921690,MCULE-8621016306	513.652	UCTNBSYXJZYVMU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157432
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCN(CC)CC)sc2CCCc2c1C#N	MCULE-2949819180,EMOLS-id_331930132	513.652	OINLOWCUKUAKHT-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-157433
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331931153,MCULE-6498721833	513.652	ZAEYJMBJUSMWAT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157434
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-8254567766,EMOLS-id_331928348	513.652	CATCEHUOVRABDD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157435
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-8384649424,EMOLS-id_331929884	513.652	LNEBNAJOCOGLBL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157436
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_331924760,MCULE-4120239374	513.652	JITSZMQRZBMEHU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157437
CCC1CN(CC2CCOCC2)C(=C)CN1C(=O)N1Cc2c(C1)c(n[nH]2)NC(=O)c1csc(n1)CC	PC-id_145493461	513.655	JCFDDFLJMZOUGF-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157438
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1sc(nc1C)C)N1CCN(C(=C)C1)CC1CCOCC1	PC-id_145493476	513.655	FEPRNALHVCCVTI-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157439
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CS(=O)(=O)c1ccc(cc1)C)CC=C)C#N	PC-id_23407687	513.655	CAVUSGAOVUIZDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157440
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-3155009223,EMOLS-id_331789757	513.672	BCUHUPJRDIRRKW-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-157441
CCOc1ccc(cc1)CN1Cc2c([C@H]1CC)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18368071	513.672	UDBXXXYFSJAWSG-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157442
CCOS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C	PC-id_134166979,SCHEMBL19767319	513.672	JFLJHMQPJXVSCC-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157443
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)OC	PC-id_134171073,SCHEMBL19772253	513.672	NRPIDTGSNWMNPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157444
COc1ccc(cc1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18378730	513.672	NRPIDTGSNWMNPN-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-157445
OCc1ccc(cc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18368003	513.672	AVDNBOXQBPSNAE-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157446
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC)C(=O)OC	PC-id_19641857	513.675	SQHWAOZNGNBIMB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157447
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)C)C(=O)OCC	PC-id_19641750	513.675	YTNLKNGGGNRBLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157448
CC/C=C/N=C(/C=C(/c1ccc(c(c1)C)CNC(=O)c1cnn(c1)C(C)(C)C)C)Nc1nn2c(c1)CCC2	PC-id_144863323	513.677	IKDVZFHYIGRIAO-FEYDEQRQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157449
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331928597,MCULE-7929526161	513.695	FQXLAQOKRZOTJT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157450
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCN(C)C)sc2CCCc2c1C#N	MCULE-6826968289,EMOLS-id_331930648	513.695	CNERYCAPHNXIRM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157451
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCCN(C)C)sc2CCCc2c1C#N	MCULE-8434481629,EMOLS-id_331930133	513.695	PYRUEBMJWSGKBS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157452
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331930644,MCULE-6420151491	513.695	MFXPAGLVQNCUPR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157453
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCN(CC)CC)sc2CCCc2c1C#N	MCULE-3884464941,EMOLS-id_331928594	513.695	GDYBZYMGKHSZAE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157454
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)N[C@@H](c1ccccc1)CC1(O)CC1	SCHEMBL19537472	513.695	NKYQPENPJGZKDS-HXUWFJFHSA-N	00101010100000110001000010000000000000000000000000000000	25-01-157455
COCCOC1CN(C1)C1CCC(CC1)Cc1sc2c(c1C)N(CC2)Cc1c(C)cc(nc1OC)C	PC-id_139563567,SCHEMBL21441628	513.735	UKNOIYJRJWDBSQ-UHFFFAOYSA-N	00001010100010101000100010000000000000000000000000000000	25-01-157456
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)Oc1c(cc(cn1)C(F)(F)F)Cl	SCHEMBL14056777,PC-id_89238090	513.874	FVUATPFFVTVQFK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157457
CC([C@@]([C@@H](O[Si](C)(C)C)C)(C(=O)OCc1ccn2c1[C@@H](CC2)O[Si](C)(C)C)O[Si](C)(C)C)C	PC-id_101648300	513.89	IPLICEMZNSBJCO-XZDHIHRUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-157458
[Si](OC(C(C)C)(C(O[Si](C)(C)C)C)C(=O)OCc1c2n(CCC2O[Si](C)(C)C)cc1)(C)(C)C	PC-id_610422	513.89	IPLICEMZNSBJCO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-157459
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(N3CCOCC3=O)cc2)nc1	PC-id_72427204	513.909	KMFBNDJNRBIZAE-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-157460
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(N3CCOCC3=O)cc2)nc1	PC-id_58797868,SCHEMBL4599427	513.909	KMFBNDJNRBIZAE-OAQYLSRUSA-N	00000010100010111001100010000000000000000000000000000000	25-01-157461
C1Cc2nnc(n2C1C(=O)NCc1cc(ccc1)C(F)(F)F)CN[S+](=O)(c1ccccc1Cl)[O-]	PC-id_134798030	513.92	VQEFJHNVABMVNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157462
c1(NC(=O)C2CC(=O)N(c3c(OC)ccc(Cl)c3)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336170,MCULE-3011592372	513.993	UHLMHBOHUQKWGY-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-157463
Clc1ccc(c2c([C@H](OC(C)(C)C)C(=O)O)c(nc(c2C)C(=O)Nc2sc3CCCc3n2)C)cc1	PC-id_71590734	514.036	ABGSCQYTOBNTPU-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-157464
Clc1ccc(c2c(C(OC(C)(C)C)C(=O)O)c(nc(c2C)C(=O)Nc2sc3CCCc3n2)C)cc1	PC-id_78123859	514.036	ABGSCQYTOBNTPU-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-157465
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)Cl)CCC)sc2CCCc2c1C#N	EMOLS-id_331785917,MCULE-7111298389	514.059	QTWCMYOWMSFMII-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157466
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccc(cc2)Cl)sc2CCCc2c1C#N	EMOLS-id_331788988,MCULE-8301247873	514.059	HAFCZKMFQHBNBX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157467
c1(NC(=O)COc2cn(c(cc2=O)CSCC)Cc2ccccc2Cl)sc2CCCc2c1C#N	MCULE-5128340577,EMOLS-id_331789488	514.059	JXYLTVCVDTYZAX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157468
CC1=C(SC(=N1)OCC(F)(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)/C(=CO)/C4=CC=CC=C4	PC-id_164872010	514.059	JNWAUSMFZRWYEB-GDNBJRDFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157469
CC1=C(SC(=N1)CCC(F)(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872231	514.096	LGTKNGSOXMFLPI-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157470
C1CCC(C(C1)C(=O)CC2=C(C3=C(S2)CCC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl)C(=O)O	PC-id_153253996	514.169	WTXBCGRLKDQJDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157471
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2C)C(=O)C(=O)NC4(CC(C4)(F)F)C5=CN(N=N5)C)F	PC-id_161064294	514.194	QAFOBLQVAOGZMU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-157472
O=C(Nc1ccc(c(c1)Cl)Cl)CCc1nnc2n1c(=O)/c(=C/c1ccc(c(c1)Cl)Cl)/s2	NSC625831	514.212	ANKSQCATFOIWHW-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157473
CC1CC(=CC=C1C(=O)OC)C(C)NC(=O)c1c2N(CCn2nc1C=C)Cc1cc(ccc1)C(F)(F)F	PC-id_163677972	514.219	JIJDWSVKNVHCJC-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-157474
COCCOCCC1(CCOCCOC)C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_144503798	514.226	JREMFLVGHFHDLO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-157475
COC1=CC=C(C=C1)CN2C(=CC(=N2)C3CCCC3)NC4=C(C(=CC(=C4)O)O)C(=O)N5CC6=C(C5)NN=C6	PC-id_155269033,CHEMBL4519486	514.233	XSXFWGRBCWBGTA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157476
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=CC(=C5)Cl)OC	PC-id_151984211	514.235	UDIBRUAXOISWOT-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157477
C=CC(=O)Nc1ccc(C(=O)Cc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)cc1	PD135540	514.27	AYYPZXJIAFGFIY-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-157478
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC=C5)C(C)(F)F	PC-id_150667459	514.276	JFEAVOYPTYXXKB-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157479
CCC1=NC=C(C(=N1)NC2=NN(C3=C2CNC3(C)C)C(=O)N4C[C@H](N(C[C@@H]4C)CC5CCOCC5)C)F	PC-id_153946722	514.318	XNJQOTLJICEDJX-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-157480
Brc1c2c(sc1C)[C@@H]([Si]([C@H]1c3sc(c(Br)c3C=C1C)C)(C)C)C(=C2)C	SCHEMBL821669,PC-id_66809868	514.412	BYABHEKBVYOWCX-BGYRXZFFSA-N	00000011100000000000000010000000000000000000000000000000	25-01-157481
Brc1c2c(sc1C)C([Si](C1c3sc(c(Br)c3C=C1C)C)(C)C)C(=C2)C	SCHEMBL817426,PC-id_58526163	514.412	BYABHEKBVYOWCX-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-157482
[O-][N+](=O)c1nc2n(c1)C[C@](O2)(C)COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)OC(F)(F)F	PC-id_117999617,SCHEMBL16624937	514.432	NJAJBEJQHGUZLK-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157486
[O-][N+](=O)c1nc2n(c1)CC(O2)(C)COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)OC(F)(F)F	SCHEMBL19704680	514.432	NJAJBEJQHGUZLK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157487
[O-][N+](=O)c1cn2c(n1)C[C@@](C2)(C)COc1ccccc1n1nnc(c1)COc1ccc(cc1)C(F)(F)F	SCHEMBL18031096,PC-id_122501191	514.457	DEDUUDUWUOIPPZ-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157488
COC(=O)C(CCCCCCCC(c1c(n2C(=N)N=Nc2n1)O)C(=O)OC)c1c(n2C(=N)N=Nc2n1)O	PC-id_135503466	514.495	AZYAGTVTUPXTHF-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-157489
COC(=O)[C@@H](C1=Nc2n(C1=O)c(nn2)N)CCCCCCC[C@H](C1=Nc2n(C1=O)c(nn2)N)C(=O)OC	CoCoCo_5696227	514.495	DRONGXZSDYCAPD-GHMZBOCLSA-N	00000011100000000001000010000000000000000000000000000000	25-01-157490
COC(=O)[C@H](C1=Nc2n(C1=O)c(nn2)N)CCCCCCC[C@H](C1=Nc2n(C1=O)c(nn2)N)C(=O)OC	NSC636365,CoCoCo_5696226	514.495	DRONGXZSDYCAPD-PHIMTYICSA-N	00000011100000000001000010000000000000000000000000000000	25-01-157491
COC(=O)[C@@H](CCCCCCC[C@@H](c1c(n2C(=N)N=Nc2n1)O)C(=O)OC)c1c(n2C(=N)N=Nc2n1)O	PC-id_136843256	514.495	AZYAGTVTUPXTHF-QWRGUYRKSA-N	00000011100000000001000010000000000000000000000000000000	25-01-157492
COC(=O)[C@@H](CCCCCCC[C@H](C(=O)OC)C1=Nc2nnc(N)n2C1=O)C1=Nc2nnc(N)n2C1=O	ZINC22_8653217,CoCoCo_5696228	514.495	DRONGXZSDYCAPD-QWRGUYRKSA-N	00000011100000000001000010000000000000000000000000000000	25-01-157493
O(C(=O)C(CCCCCCCC(C1=Nc2n(C1=O)c(nn2)N)C(=O)OC)C1=Nc2n(C1=O)c(nn2)N)C	PC-id_367037	514.495	DRONGXZSDYCAPD-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-157494
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CCC=O	PC-id_135361146,SCHEMBL20539601	514.496	GBDPPWNGGTUIRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157495
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCC=O	SCHEMBL20539574,PC-id_135361119	514.496	CIJFPXNKUJIZQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157496
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCC=O	PC-id_135361116,SCHEMBL20539571	514.496	CIJFPXNKUJIZQY-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157497
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CCC=O	PC-id_135361145,SCHEMBL20539600	514.496	GBDPPWNGGTUIRW-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157498
P(=O)(OCCC(CCC=C(C)C)C)(O)c1ncn2C(C(OC(=O)C)C(OC(=O)C)c12)COC(=O)C	PC-id_85298037	514.506	FGIINUBUGOOETF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-157499
P(=O)(OCC[C@H](CCC=C(C)C)C)(O)c1ncn2[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)c12)COC(=O)C	PC-id_10874940	514.506	FGIINUBUGOOETF-SFPRVHAESA-N	00000010100000000001000010000000000000000000000000000000	25-01-157500
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1cc(c(cc1)Cl)C1CCC1	PC-id_134170756,SCHEMBL19771923	514.51	NZORDOWQBBXOII-SANMLTNESA-N	00001010100000110001100010000000000000000000000000000000	25-01-157501
COCc1ccc(c(c1)CNC(=O)Nc1c2CS(=O)(=O)Cc2nn1/C(=C/C=CC)/C)OC(F)(F)F	PC-id_144628869	514.518	TZCZBSDJCPAFQJ-VLZWCJPISA-N	00000010100000110001000010000000000000000000000000000000	25-01-157502
C[C@H]1CN(C(C1)(C)CNC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(OCC(F)(F)F)ncc1F)C	SCHEMBL19200742	514.52	IQXYSNDMKYXWAY-FXADVQPWSA-N	00000010100000100001000010000000000000000000000000000000	25-01-157503
C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C	BindingDB_PC-id_25159110,BindingDB-id_546096,PC-id_25159110,SCHEMBL3327895	514.52	DPRFHIQZBTUOOM-LBPRGKRZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157504
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CCC(F)(F)F)F	SCHEMBL19201032	514.52	DRECPMLZSZKZRN-ZDUSSCGKSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157505
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN([C@@H](C1)C)CCC(F)(F)F)F	SCHEMBL14104502,PC-id_71070474	514.52	KDGJVRBFYXPMEO-CYBMUJFWSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157506
FC(F)(F)CCN1C(CN(CC1)C(=O)N1C(c2[nH]nc(Nc3nc(OCC)ncc3F)c2C1)(C)C)C	PC-id_78001155	514.52	KDGJVRBFYXPMEO-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157507
O=C(c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)NC[C@H]1CCCO1	SCHEMBL2162575,PC-id_24772679	514.533	MVKXTQZNKXYAFH-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157508
O=C(c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)NC[C@@H]1CCCO1	SCHEMBL2163170,PC-id_24772615	514.533	MVKXTQZNKXYAFH-LBPRGKRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157509
c1(NC(=O)CSc2nc(c3ccc(cc3)OC)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C#N	CoCoCo_6930162,EMOLS-id_3750406,MCULE-4781715790,SPECS-id_AM-807/14147795,ZINC22_8451153,STOCK3S-19726,PC-id_1773705	514.543	KBAJLUORWNSCHH-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-157510
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(F)(F)F)C	PC-id_58015684,SCHEMBL1205763	514.543	OCPLRZIEILRIGA-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157511
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CCCO)sc2CCCc2c1C#N	MCULE-2634204865,EMOLS-id_332717642	514.544	HPSMCLNDYSWZPR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157512
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CC(C)O)sc2CCCc2c1C#N	MCULE-9385360290,EMOLS-id_332716359	514.544	DXIFRSBZSSVCFY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157513
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(F)c2)CCOC)sc2CCCc2c1C#N	MCULE-6690867992,EMOLS-id_332710220	514.544	WNJVKSUNQXZIOM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157514
CC1(c2c(CN1C(=O)C1(CCN(CC1)C1CCOCC1)F)c(nn2C(=O)N)OC(=O)c1ccccn1)C	PC-id_90812887	514.549	DVNKPBITUSFQGH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-157515
O=COCC1(CC1)c1ccc(nc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL18729919	514.551	CZEZNZOXXWCKPW-HSZRJFAPSA-N	00100010100000101001100010000000000000000000000000000000	25-01-157516
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-3850459264	514.552	GWRHICSNEHVJIA-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-157517
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-6529126244	514.552	XFHRCQKNUYXLAV-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-157518
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)Nc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333648273,MCULE-1248390530	514.556	XJQXGPIJXRZQBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157519
s1c2CCC(c2nc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_16947634	514.563	QELXYVPEBWOHFX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157520
CC(=C)Oc1c(cccc1OC(F)F)/C=C/c1nc2n(c1C(=O)Nc1sc3c(n1)CCC3)ccs2	SCHEMBL13287404,PC-id_59369907	514.567	RHGAKGKYMIYMFB-MDZDMXLPSA-N	00000010100000110001000110000000000000000000000000000000	25-01-157521
s1c2CCCc2nc1NC(=O)c1n2c(scc2)nc1C=Cc1c(OC(=C)C)c(OC(F)F)ccc1	PC-id_72272592	514.567	RHGAKGKYMIYMFB-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-157522
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)OC	PC-id_2376117	514.571	CXDMGYIYFIYNJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157523
OCc1cc(ccc1N1CCN(CC1)C)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24751331,SCHEMBL4287076	514.572	YYPLNBXADPFPRN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157524
OCC1CN(C)CCN1c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_68984986,SCHEMBL4281343	514.572	VZWVVFHDXQXANY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157525
OCC1CN(CCN1C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24750752,SCHEMBL4287701	514.572	UFWWVBIBGMIAMX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157526
COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CCCC1C#N	BindingDB_PC-id_90654068,PC-id_89796591,BindingDB-id_218910	514.582	DIJBNVANXQAKQG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-157527
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2CC2c2ccccc2)nc(n1)N1CCC[C@H]1C#N	PC-id_67007732,SCHEMBL1367708	514.582	DIJBNVANXQAKQG-MUYFXNHWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-157528
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2C[C@@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C#N	SCHEMBL12144698,PC-id_70673079	514.582	DIJBNVANXQAKQG-PZEDNMLSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-157529
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2C[C@@H]2c2ccccc2)nc(n1)N1CCC[C@H]1[N+]#[C-]	PC-id_59474140,SCHEMBL12143750	514.582	MMWIDIQZXLKNRS-WDOSNPKHSA-N	00100010100000110001100010000000000000000000000000000000	25-01-157530
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C#N	SCHEMBL1367709,PC-id_67007733	514.582	DIJBNVANXQAKQG-JENIJYKNSA-N	00100010100000110001100010000000000000000000000000000000	25-01-157531
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@H]2C[C@@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C#N	SCHEMBL15247480	514.582	DIJBNVANXQAKQG-SCTDSRPQSA-N	00100010100000110001100010000000000000000000000000000000	25-01-157532
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(CNC2CCC2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524103	514.587	MIWQDZKEYUGFCS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157533
CC(C)C1c2c(CN1Cc1cc(c(cc1)C#N)F)sc(n2)NS(=O)(=O)c1ccc(cc1)CC(=O)O	PC-id_87056440,SCHEMBL19772012	514.592	IGTHFEUHOWZWDR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157534
CC(C)[C@@H]1N(Cc2ccc(C#N)c(F)c2)Cc2sc(NS(=O)(=O)c3ccc(CC(=O)O)cc3)nc12	SCHEMBL16224811,BindingDB_PC-id_87056440,BindingDB-id_722811	514.592	IGTHFEUHOWZWDR-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157535
[C-]#[N+]c1ccc(cc1F)CN1Cc2c([C@@H]1C(C)C)nc(s2)NS(=O)(=O)c1ccc(cc1)CC(=O)O	PC-id_140763632	514.592	GTPNZAZGPQWJBS-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157536
N#Cc1ccc(cc1F)CN1Cc2c(C1C(C)C)nc(s2)NS(=O)(=O)c1ccccc1CC(=O)O	PC-id_117680179,SCHEMBL16213492	514.592	KCEAAIRJHDHJSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157537
C[C@@](CCN1Cc2cc(C#Cc3ccc(CN4CCOCC4)cc3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	PC-id_118368907,SCHEMBL18729946,CHEMBL4572056	514.594	HKFPYIZPYVWIPB-RUZDIDTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-157538
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CCOCC1)C	SCHEMBL18729949	514.594	HKFPYIZPYVWIPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157539
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC(=O)NCc2occc2)C1	PC-id_44053275	514.594	MHUFWNQKJXEHIU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-157540
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_332714824,MCULE-4606186651	514.595	DPUQXSNDAMBTDI-UHFFFAOYSA-N	00000010101000111000000010000000000000000000000000000000	25-01-157541
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)Cc2ccco2)sc2CCCc2c1C#N	MCULE-5482071382,EMOLS-id_332716104	514.595	SVVGJFNSGCIWAJ-UHFFFAOYSA-N	00000010101000111000000010000000000000000000000000000000	25-01-157542
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-2627701489,EMOLS-id_332715848	514.595	YJYGWPKJTDOANR-UHFFFAOYSA-N	00000010101000111000000010000000000000000000000000000000	25-01-157543
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCc2c[nH]cn2)sc2CCCc2c1C#N	MCULE-7769628233,EMOLS-id_332715078	514.599	IHNZUMJTFPQEKN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157544
CC1CN(C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(cc(cc1)F)F)C)CC1CCCC1	PC-id_91496036	514.611	JVSXCPYQSYAKEI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157545
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-9973906751,PC-id_24223867	514.614	NIRSDGZKGFMIQR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-157546
CCOc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)c1ccccc1	ZINC22_408619366	514.614	LWRQVUOHQVDWEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157547
CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)c2ccccc2)cc1	ZINC22_408614907	514.614	JPYIFIBNCAXBTM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157548
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c2ccccc2)cc1	ZINC22_408619062	514.614	LNCASFUPQJKSRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157549
CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)sc2c1CCC2	ZINC22_408622105	514.614	UISDSVMJKKGDMS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157550
CCOC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408630406	514.614	UBTLHEZSKXMLAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157551
CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408615695	514.614	CGJFHSIXLRSHFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157552
CCOC(=O)c1c(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408626338	514.614	WPZJEMHGQNJKBQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157553
CCOC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408616654	514.614	AYBSPLKFWPZVQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157554
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408615781	514.614	SEJKRSGNKWCDHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157555
COC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408620223	514.614	NMEAROLUALQUSP-INIZCTEOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157556
COC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408620228	514.614	NMEAROLUALQUSP-MRXNPFEDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157557
COC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408613963	514.614	ZHCADWABMVNPRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157558
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408626074	514.614	LEKSJEUJHYXBLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157559
COC(=O)c1c(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408615658	514.614	BVTDDDXTRIMDLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157560
COC(=O)c1c(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408617778	514.614	JPIQCPLZUYWZCS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157561
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408618594	514.614	LEFSITGAZPSVSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157562
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(F)cc1)NC(=O)CC(c1ccccc1)c1ccccc1	PC-id_44053635	514.614	ADQLECGYUSVEHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157563
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O	PC-id_91567082	514.617	IBERSULSONWUIH-UHFFFAOYSA-O	00000011100010110001100010000000000000000000000000000000	25-01-157564
s1c2c(CCC2)c(c1NC(=O)CSC1NC(C(C(=O)N1)C#N)c1ccc(OC)cc1)C(=O)OCC	PC-id_73265507	514.617	BKZODOTUMNCSIU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157565
s1c2c(CCC2)c(c1NC(=O)CSC1NC(C(C(=O)N1)C#N)c1cc(OC)ccc1)C(=O)OCC	PC-id_73265506	514.617	IPWMISXFHVZALR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157566
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC=C)C(=O)OC	PC-id_19731091	514.617	PAWWSMOECPTCQR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157567
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_17305324	514.617	LCLIQTQTZRSSBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157568
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331788475,MCULE-5224551542	514.624	RSOVDZIYRGYUSN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157569
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCOCCO)sc2CCCc2c1C#N	MCULE-8329484554,EMOLS-id_331929113	514.637	XLXIJHZWZGKDID-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157570
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)CCCOC)sc2CCCc2c1C#N	MCULE-9810269012,EMOLS-id_331921948	514.637	MXOHKUCOIJQSLA-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157571
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCCCCO)sc2CCCc2c1C#N	MCULE-6983825273,EMOLS-id_331930135	514.637	PKOAWYPIAZKDRQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157572
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCCOCC)sc2CCCc2c1C#N	MCULE-8889241615,EMOLS-id_331921179	514.637	RUZKCPHEHFVCGZ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157573
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331930649,MCULE-4955128435	514.637	IVZHIFPPURVWLM-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157574
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCOCCO)sc2CCCc2c1C#N	MCULE-1730449418,EMOLS-id_331931161	514.637	QMYPTCLNTOOAMT-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-157575
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331920156,MCULE-7206022088	514.637	SSDDNSGXNCHWHP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157576
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCCOCCCC)sc2CCCc2c1C#N	EMOLS-id_331922973,MCULE-6942992429	514.637	XPYPNNXGDZAKRR-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-157577
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCCCCO)sc2CCCc2c1C#N	MCULE-2930708813,EMOLS-id_331934228	514.637	IQHYHSCXXBGYMZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157578
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-3355118669,EMOLS-id_331931413	514.637	MPKAHUDLJGUQRT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157579
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331923729,MCULE-6395189196	514.638	JVVIRCHZSIDBET-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157580
CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1	BindingDB_PC-id_25155219,BindingDB-id_546082,PC-id_25155219,SCHEMBL3326888	514.639	ZRMGFEMLQXBANU-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-157581
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCN2CCCC2=O)sc2CCCc2c1C#N	MCULE-6303261019,EMOLS-id_331787452	514.66	IQDTWCZOQJQFNS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157582
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(=O)n(c1)C	SCHEMBL18367950	514.66	DFTKMLSKGXWLLW-DEOSSOPVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157583
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccn(c(=O)c1)C	SCHEMBL18368059	514.66	VKKJIGIXSACPNT-DEOSSOPVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157584
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC)C(=O)OC	PC-id_17302264	514.66	TUVYXGYPLLLNLP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157585
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC)C(=O)OC	PC-id_19732622	514.66	DWPWHNQCHAZRAU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157586
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)C)C(=O)OCC	PC-id_19732498	514.66	UVNHSRVNGYKBBD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157587
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)C)C(=O)OCC	PC-id_19732850	514.66	ZXCMNLOKLICTOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157588
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC)C(=O)OC	PC-id_17306317	514.66	KKFSTZWYMQTDMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157589
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC)C(=O)OC	PC-id_17306647	514.66	OBBGOMNJURFQEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157590
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC)C(=O)OC	PC-id_19636931	514.66	AMZPINSISCZKSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157591
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC)C(=O)OC	PC-id_19637282	514.66	QMMSPPAOVUDNPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157592
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC)C(=O)OC	PC-id_19643723	514.66	DIRPHWDKVUGXMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157593
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC)C(=O)OCC	PC-id_17304079	514.66	FQGDPACCZDVWEU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157594
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC)C(=O)OCC	PC-id_17304673	514.66	CZBFAUUGIBBOSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157595
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC)C(=O)OCC	PC-id_17306089	514.66	MDNMJVBASCLZRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157596
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC)C(=O)OCC	PC-id_19635890	514.66	PUCJFIGLQOQJQS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157597
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC)C(=O)OCC	PC-id_19636236	514.66	XDUWHRLKCWXRCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157598
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)C)C(=O)OCC	PC-id_19636813	514.66	ZHFFKFVEZCIEIU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157599
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)C)C(=O)OCC	PC-id_19637169	514.66	VCAPALJWWDCPJS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157600
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)C)C(=O)OCC	PC-id_19637513	514.66	ZAKXWDCGOONYBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157601
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC)C(=O)OCC	PC-id_19643413	514.66	FVSAJUSWPCLGOW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157602
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)C)C(=O)OCC	PC-id_19643598	514.66	VCHGQHKLESKMHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157603
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC)C(=O)OCC	PC-id_21165664	514.66	YHRKFPPZBNDDEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157604
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC)C(=O)OCC	PC-id_21166307	514.66	ICEGLSWPVWBYSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157605
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC)C(=O)OCC	PC-id_19632169	514.66	UDQHNZIEMWFBGF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157606
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)C)C(=O)OCC	PC-id_19638868	514.66	ZUFOHYWWKYCQHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157607
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_17305108	514.66	LTEKPPDWZDQHRP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157608
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)C)C(=O)OC	PC-id_17306705	514.66	ZEUGDPWUDMZIFR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157609
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)C)C(=O)OCC	PC-id_19632325	514.66	HPTYKYAKAFAMSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157610
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_17305156	514.66	WYXOMXCLPZIGBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157611
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1c(C)cc(cc1C)C	PC-id_24946434,SCHEMBL3485271	514.662	KUDMCUFBQQWQCM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157612
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331927575,MCULE-2809435410	514.68	IXGMFUCIBPPGKQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157613
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCCCCO)sc2CCCc2c1C#N	EMOLS-id_331931669,MCULE-3572863020	514.68	MKWRFDWMQGYKOR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157614
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CCCO)sc2CCCc2c1C#N	MCULE-1636405425,EMOLS-id_331930387	514.68	UDLKNRUHFSCFNN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157615
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CC(C)O)sc2CCCc2c1C#N	MCULE-3045230653,EMOLS-id_331923486	514.68	FTLCVWRFKWBKPI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157616
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCCCCO)sc2CCCc2c1C#N	MCULE-5520425929,EMOLS-id_331929111	514.68	KNKWDKUDYNCXJR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157617
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCCC)CCOC)sc2CCCc2c1C#N	EMOLS-id_331921687,MCULE-7944453301	514.68	ZAKHWOZFVFCELR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157618
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)CCCOC)sc2CCCc2c1C#N	MCULE-4034470583,EMOLS-id_331919901	514.68	SIDCTCYBTMMDOK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157619
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331920155,MCULE-5335244215	514.68	ITJYGGLVFNIMGT-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157620
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCCOCC)sc2CCCc2c1C#N	MCULE-9725726243,EMOLS-id_331922714	514.68	RZCKXFXAKSTCHR-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157621
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCOC(C)C)sc2CCCc2c1C#N	EMOLS-id_331928854,MCULE-7771420658	514.68	OMZSDTVOEKRDBZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157622
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCCOCCCC)sc2CCCc2c1C#N	EMOLS-id_331919390,MCULE-4038214095	514.68	AITSGLMTZOBCPZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157623
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCC(C)C)sc2CCCc2c1C#N	MCULE-5337267564,EMOLS-id_331931668	514.68	XVDRUNFFYOJMHZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157624
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCCCC)sc2CCCc2c1C#N	MCULE-6297825631,EMOLS-id_331931408	514.68	WLFDPOTZCSETHU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157625
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCCCCCC)sc2CCCc2c1C#N	EMOLS-id_331925788,MCULE-4819415782	514.68	UUBNLJVGGPGTEK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157626
[Si](OC[C@H]1C[C@H](c2n(ncc12)C)Cn1c(=O)[nH]c(=O)cc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_15946735	514.691	CEGXFUZKAWRCGZ-FCHUYYIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157627
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCCN2CCCC2)sc2CCCc2c1C#N	MCULE-3723930133,EMOLS-id_331791035	514.703	LINITRDGDOFPGO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157628
CCCCCCc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1	MCULE-8648839564,EMOLS-id_321779249	514.703	QHBWSBZQPOEMRH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157629
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)C#N	PC-id_134170728	514.703	UVZJLNGWAILHCG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157630
N#C[C@@H]1CC[C@H](CC1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19771895	514.703	UVZJLNGWAILHCG-YYSPQECZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157631
N#C[C@@H]1CC[C@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367938	514.703	UVZJLNGWAILHCG-RLSLOFABSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157632
Cc1cc(ccc1Nc1ccc(c(c1)C)/N=N/c1sc2c(n1)CCC2)Nc1ccc(s1)N1CCCC1	SCHEMBL19648558	514.708	YCHCOCWYZFAOLX-ULIFNZDWSA-N	00000010100100110001100010000000000000000000000000000000	25-01-157633
S=C(N1CCN/C/1=NS(=O)(=O)c1ccc(cc1)C(C)(C)C)SN1CCn2c1nsc2=S	NSC736209,PC-id_24205592	514.731	HUELHJAVWFEEPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157634
c1(NC(=S)NNS(=O)(=O)c2c(Cl)cc(c(Cl)c2)Cl)sc2c(CCC2)c1C(=O)OC	PC-id_2207685,EMOLS-id_2470680,CoCoCo_994741,ZINC22_2854016,MCULE-3506881686,TIMTEC397554	514.854	QDFMHZIBERXJNQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157635
c1(NC(=O)CCCOc2cc(C)c(c(C)c2Br)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_19205931,MCULE-1126850160	514.86	IONLWECZCZMSMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157636
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F)C(=O)O	SCHEMBL20340340,PC-id_135188168	514.945	MIEOBKZUULRWGA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157637
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(Cl)c2)CCC)sc2CCCc2c1C#N	EMOLS-id_332713543,MCULE-1165911021	514.999	ZSSHTNZULCKREM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157638
Clc1ccc(OC(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)(C)C)cc1	PC-id_44053483	515.024	OYFLUGQTFXBDFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157639
Clc1c(S(=O)(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)c(ccc1)C	PC-id_24752736,SCHEMBL4285124	515.028	ZSGUXDKBROWUKW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157640
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CCC)n2)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-6383847382,PC-id_18880117	515.046	DBJHHVKGSRNJLO-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-157641
Clc1ccc(NC(=O)NC(C(C)(C)C)C(=O)N2CCC(CC2)CCN2Cc3n(C2=O)c(nc3)C)cc1	PC-id_23138201	515.047	KBVYARDWCYWEBR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157642
Clc1ccc(NC(=O)N[C@H](C(C)(C)C)C(=O)N2CCC(CC2)CCN2Cc3n(C2=O)c(nc3)C)cc1	PC-id_58857984,SCHEMBL3448490	515.047	KBVYARDWCYWEBR-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157643
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C(=N1)NC(=O)C4=CC=C(C=C4)N(C)C	PC-id_165180349	515.178	ORLUXRONXKRNQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157644
COC(=O)C(CC1=NC=NC(=O)C1=O)N2CC3=CC(=CN3C2=O)C#CC4=CC=C(C=C4)CN5CCOCC5	PC-id_165414811	515.18	QKFLNAIXHOMNRG-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-157645
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(Br)cc3F)/c(=O)n2n1	EMOLS-id_324913679	515.183	FQUXMSYEQHZZJJ-SOFYXZRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157646
CC(Oc1ccc(Cl)cc1Cl)c1nc2s/c(=Cc3ccc(F)c(Br)c3)/c(=O)n2n1	EMOLS-id_324911628	515.183	YTUOEEFETJHCLA-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157647
n12c(=O)c(=Cc3ccc(Br)cc3F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-5515962393	515.183	FQUXMSYEQHZZJJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157648
n12c(=O)c(=Cc3ccc(c(Br)c3)F)sc1nc(C(C)Oc1ccc(cc1Cl)Cl)n2	MCULE-1834883739	515.183	YTUOEEFETJHCLA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157649
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CCOCc1ccccc1	PC-id_78141266	515.192	CPCGGKCGTWHGEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157650
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CCOCc1ccccc1	PC-id_71658299	515.192	CPCGGKCGTWHGEI-MDYRTPRTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157651
CC1CN(CCN1C)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)[C@H](C)C5=CC=CC=C5)C(=O)[O-]	PC-id_162234366	515.241	ZVWCKVWWAJQNOU-MUMRKEEXSA-M	00000010100010110001100010000000000000000000000000000000	25-01-157652
COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2	ZINC22_104119067,PC-id_17113675	515.242	FJDINCCVMNMHOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157653
CCN(CC)CC1=CC=C(C=C1)OCC2=C3CN(C(=O)C3=CS2)[C@@H](CCC(=O)OC(C)(C)C)C(=O)N	PC-id_153305165	515.245	VMGYUSLDODZDRO-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157654
CCCC(CCCCCN1C2=C(CCC2)C(=N1)C(=O)N3CCC(CC3)(CO)F)C4=C(C(=C(C=C4)F)C)C	PC-id_153565275	515.332	JFOMGYUIZLOAKT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157655
[O-][N+](=O)c1nc2n(c1)C[C@](O2)(C)COc1ccc(cc1)S(=[OH+])(=O)Nc1ccc(cc1)OC(F)(F)F	PC-id_144820525	515.44	YUMQYDXXFBYDKT-LJQANCHMSA-O	00000010100000110001000010000000000000000000000000000000	25-01-157656
CCOC(=O)c1c(NC(=O)CN(c2ccc(Br)c(C)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408617490	515.441	GSCCJYVQDFRQLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157657
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)n2C(C)CCc12	SCHEMBL19901030,BindingDB-id_799325,PC-id_134285303	515.484	VLLDXGLETGVTIQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-157658
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C(=O)Nc1cc(ncc1)C(C)F	PC-id_134599017,SCHEMBL20252918	515.488	NDKFTLKVCWHZDP-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-157659
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN(C)Cc1ccc(cc1)N(C)CC=Cc1ccc(cc1)C(F)(F)F	PC-id_87333611,SCHEMBL2093382	515.527	CWWYSAPLFUFVPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157660
CN(C[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])Cc1ccc(cc1)N(CC=Cc1ccc(cc1)C(F)(F)F)C	PC-id_67275105,SCHEMBL2093378	515.527	CWWYSAPLFUFVPI-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157661
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(F)(F)F)C	SCHEMBL12879166,PC-id_58015607	515.527	AMMDHYDQNHCWCS-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157662
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)N(C)C)C	SCHEMBL18758591	515.527	JBRQNRLXWDWWTF-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157663
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)N(C)C)C	SCHEMBL18758644	515.527	KCYHCMGPPVJDRW-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157664
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)N(C)C)C	SCHEMBL18758586	515.527	KCYHCMGPPVJDRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157665
FC(F)(F)c1ccc(/C=C/CN(c2ccc(CN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)cc2)C)cc1	PC-id_67275106	515.527	CWWYSAPLFUFVPI-MGPWBUOISA-N	00000010100000110001000010000000000000000000000000000000	25-01-157666
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(cc2)Oc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333646751,MCULE-7969691021	515.54	VMEWQYDNMWEJGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157667
c1(NC(=O)COc2nonc2C(=O)Nc2ccc(cc2)OCc2ccccc2)sc2CCCc2c1C#N	MCULE-2351686856,EMOLS-id_333680630	515.54	FACNXPYWLIJDBN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157668
c1(NC(=O)COc2nonc2C(=O)Nc2cccc(OCc3ccccc3)c2)sc2CCCc2c1C#N	MCULE-7878874046,EMOLS-id_333680374	515.54	KEWSBYRNPIWVLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157669
CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2	CoCoCo_3706241,MCULE-4451168737,ZINC22_12489350,EMOLS-id_48960566,PC-id_3283234	515.559	FJBYAPSNTIIWSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157670
COC(=O)c1c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408630636	515.559	WBXMIQJJQPBIEI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157671
CC1(c2c(CN1C(=O)Nc1c(cccc1F)C(F)(F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	PC-id_135195427,SCHEMBL20348557	515.567	JCJPOVDQRBKZLO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157672
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]cc2NC(=O)c1ccc(cc1)N1CCNCC1	PC-id_118014567,SCHEMBL16641932	515.575	KSKMGUUTNGFOBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157673
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1CNC1CCC1	SCHEMBL1372264,PC-id_57749842	515.575	ITTSVPZNDJQREV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157674
CCOc1ccc(OCc2nc3s/c(=Cc4ccc(OCc5ccccc5)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324878855	515.58	AMDUUYIYJRWWBV-XYGWBWBKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157675
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(cc1)[N+](=O)[O-]	EMOLS-id_328223608,MCULE-7586880439	515.58	ZBPTWFVRCPVMJX-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-157676
COc1ccc(Cc2nc3s/c(=Cc4ccc(OCc5ccccc5)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324925964	515.58	MXHSMQAQLZROFH-MYYYXRDXSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157677
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)Cc1ccc(c(OC)c1)OC	MCULE-7791337781	515.58	MXHSMQAQLZROFH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157678
n12nc(nc1sc(=Cc1ccc(OCc3ccccc3)c(OC)c1)c2=O)COc1ccc(cc1)OCC	MCULE-8019350969	515.58	AMDUUYIYJRWWBV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157679
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_16948056	515.58	FYEZNAOSKZZLIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157680
CS(=O)Nc1ccc(cc1)CC(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_141251737	515.584	BAIQWOGLYMBLNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157681
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C)NC(=O)c1ccc(cc1)N1CCCCC1	SCHEMBL2920488,PC-id_68441296	515.603	BXWLTZMIHSVSRM-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157682
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCCCC3)cc2)C(=O)OCC)C1)C(c1ccccc1)C	PC-id_21873998	515.603	BXWLTZMIHSVSRM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157683
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCN2C(=O)CSC2=O)sc2CCCc2c1C#N	MCULE-8015975004,EMOLS-id_331933972	515.605	OTQJUTXIOGJDFK-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157684
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1occc1	PC-id_44053315	515.605	ILFJSYUMNWUCHB-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-157685
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1cc(ccc1)NC(=O)C=C)C	PC-id_137497902,SCHEMBL20741166	515.607	STSHHEUAGAQVAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157686
C=CC(=O)Nc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878659,PC-id_121443964	515.607	STSHHEUAGAQVAK-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157687
C=CC(=O)Nc1ccc(C(=O)Nc2c3CN(C(=O)NC(CN(C)C)c4ccccc4)C(C)(C)c3[nH]n2)cc1	MCULE-4544461003,SCHEMBL20741190,PC-id_137497926,EMOLS-id_324037833	515.607	KPABJHHKKJIDGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157688
C=CC(=O)Nc1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)cc1	PC-id_121443990,ZINC22_1857524085,SCHEMBL17878720,CHEMBL4450322,EMOLS-id_324037577,MCULE-5592321229,PD124907	515.607	KPABJHHKKJIDGX-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157689
OCc1c(nccc1c1cn(C)c(=O)c(c1)Nc1ccn[nH]1)N(CCn1c(C=O)cc2c1CC(C2)(C)C)C	SCHEMBL21018367,PC-id_138649989	515.607	LBSZRACHTLDCRE-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-157690
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)CCCOC)sc2CCCc2c1C#N	MCULE-6285177125,EMOLS-id_331792048	515.608	DPKMRHMIZQOFDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-157691
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OCCCCCC)C(=O)OC	MCULE-6205378631,PC-id_2789777	515.618	TVURWWZSTOZZGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157692
CCCCCCOc1ccc(cc1OC)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC	STOCK2S-60346,EMOLS-id_26280017,PC-id_5710962	515.618	TVURWWZSTOZZGZ-GXDHUFHOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157693
CCCCCCOc1ccc(cc1OC)/C=CC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](CC2)C(=O)OC	CoCoCo_5840502,PC-id_92909186	515.618	TVURWWZSTOZZGZ-RXEWJAMOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157694
CCCCCCOc1ccc(cc1OC)/C=CC(=O)Nc1sc2c(c1C(=O)OC)[C@H](CC2)C(=O)OC	PC-id_92909187,CoCoCo_5840504	515.618	TVURWWZSTOZZGZ-BLSFAOBESA-N	00000010100000110000000010000000000000000000000000000000	25-01-157695
CCCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1OC	CoCoCo_5840503,PC-id_7171670,ZINC22_4289950	515.618	TVURWWZSTOZZGZ-PMXLPMHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157696
CCCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1OC	ZINC22_4289946,CoCoCo_5840501,PC-id_7171671	515.618	TVURWWZSTOZZGZ-MDNBWPLSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157697
CCCc1ncc(c(n1)Nc1nn(c2c1CN(C2(C)C)C(=O)C1C[C@@H](C)N(C[C@@H]1C)C)C(=O)OCC)F	SCHEMBL19195079	515.623	GMGHSMLVUOOTCC-RTKIROINSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157698
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CC(C)O)sc2CCCc2c1C#N	MCULE-2543579225,EMOLS-id_331927069	515.625	UYHVCPRYOJYPFU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157699
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CCCO)sc2CCCc2c1C#N	MCULE-9256400946,EMOLS-id_331929875	515.625	OIXPWHSGILJURW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157700
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CCO)CCOC)sc2CCCc2c1C#N	EMOLS-id_331921175,MCULE-8075452744	515.625	YDVKJLUWMIEBAQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157701
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331929881,MCULE-2007290954	515.625	JYNYGINEKIXWDH-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157702
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCN2CCOCC2)sc2CCCc2c1C#N	MCULE-5107703498,EMOLS-id_331924504	515.625	MZIXYKYESYDXDS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157703
CCOC(=O)OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(SC)CCC1	PC-id_145072790	515.625	JSDPYLBFJYWQAT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157704
n12nc(nc1sc(=Cc1cccc(c1)OCc1ccccc1)c2=O)CC(c1ccccc1)c1ccccc1	MCULE-7987107732	515.625	OWWGQVRVIFMBHN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157705
O=c1n2nc(CC(c3ccccc3)c3ccccc3)nc2s/c/1=Cc1cccc(OCc2ccccc2)c1	EMOLS-id_324831991	515.625	OWWGQVRVIFMBHN-BRPDVVIDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157706
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1)C(=O)OC	PC-id_20181148	515.625	ZMQSJMUXBZJQCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157707
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-4450632004,EMOLS-id_331928091	515.627	XTEXBHGDYJMLDS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157708
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-2839166457,EMOLS-id_331922206	515.627	GKBUHYGSNLUDMV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157709
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331924250,MCULE-5113407327	515.627	YEISYUDTKZRMJM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157710
CCNc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1)F	PC-id_25156311,SCHEMBL7013335	515.627	FMWAQIFGMHWZTB-CVEARBPZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-157711
c1(NC(=O)Cn2nc(oc2=S)COc2cc(C)ccc2C(C)C)sc2c(CCC2)c1C(=O)OCC	ZINC22_16768545,PC-id_4750818,MCULE-7937128219,CoCoCo_6271848	515.645	PQDYMILFZPCPPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157712
c1(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)sc2c(CCC2)c1C(=O)OCC	PC-id_16431804,ZINC22_8871570,EMOLS-id_9819565,MCULE-6803464492,CoCoCo_6268173	515.645	HKCGNLDXJKXFAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157713
Fc1cccc(c1)C(C1Sc2n(C1O)nc(n2)C)N1CCN(CC1)C(c1ccccc1)c1ccccc1	PC-id_71241367,SCHEMBL14665181	515.645	CXAKYODWEIIZJG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157714
O(CCN1CCCC1)c1ccc(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1	SCHEMBL2916751,PC-id_10279430	515.646	VUVIYCHBQOBNHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157715
CCC1=CCN(O1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_141703937	515.648	WHRGPOFAYFHXDZ-MSOLQXFVSA-N	00000011100010000001000010000000000000000000000000000000	25-01-157716
CCCN(C(CN(C(=O)N1Cc2c(C1C)[nH]nc2NC(=O)c1oc(nc1C)C)C)C)CC1CCOCC1	PC-id_145493494	515.648	FQKJHQNJUXVQCC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157717
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1C(C)C	PC-id_24947513,SCHEMBL1984674	515.65	BELIGDUYDFVBHK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157718
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C(c1ccc(cc1)F)C	PC-id_134170963,SCHEMBL19772136	515.663	BNBXDRINOJWFML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157719
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)C(c1ccc(cc1)F)C	SCHEMBL18378686	515.663	BNBXDRINOJWFML-DNIBEGIYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157720
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3C)C2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331303,MCULE-8918636475	515.666	MEKASEMUKDDBIJ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-157721
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCN(C)C)sc2CCCc2c1C#N	MCULE-3547470077,EMOLS-id_331929368	515.668	NYNVTRMDYQLGBN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157722
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331929106,MCULE-9257546672	515.668	KECWXHKKKCEHDF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157723
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCN(CC)CC)sc2CCCc2c1C#N	MCULE-1240846467,EMOLS-id_331930388	515.668	XWMOVXLPYOBVCK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157724
CC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19536306	515.668	ARTQIVJCVQGEEF-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157725
CCc1scc(n1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL6377485,PC-id_59508133	515.671	RQICKHIGRHGCSG-GARXDOFDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157726
C[C@H]1CN(CC2CCOCC2)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1csc(n1)C)C	SCHEMBL18142876,PC-id_122614515	515.671	MVMSOZYFEJAMDJ-LYKKTTPLSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157727
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1csc(n1)C)C	SCHEMBL597542,PC-id_25096169	515.671	MVMSOZYFEJAMDJ-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157728
s1cc(nc1CC)C(=O)Nc1n[nH]c2C(N(C(=O)N3C(CN(C(C3)C)CC3CCOCC3)C)Cc12)C	PC-id_72310278	515.671	RQICKHIGRHGCSG-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157729
CC(=O)Nc1ccc(S(=O)(=O)NC2=NCCN2C(=S)SN2CCn3c2nsc3=S)cc1	CHEMBL208641,PC-id_24205588,NSC736205	515.676	SUPANDUYJGNING-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-157730
CC1(CC(CC(N1S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2)(C)C)NC(=O)C=C)C	SCHEMBL14057955,PC-id_89239032	515.688	ISOCVMQPPKXELR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157731
CC1(CN(CC(C1NC(=O)C=C)(C)C)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCC2)C	SCHEMBL14055187,PC-id_89236697	515.688	KYLBOZNKEQHZQU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157732
CC(C)(C)C1CCC(CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	SCHEMBL14056335,PC-id_89237693	515.688	UGUPLGCLHJDSDL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157733
Cc1c(ccc(c1)/C(=C/C(=NC=C(C)C)Nc1nn2CCCc2c1)/C)CNC(=O)/C(=C/N)/C=NC(C)(C)C	PC-id_135294584	515.693	UMLDDJAPCZZFNL-JKVKYNKJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157734
CC/C=C/N=C(C=C(c1ccc(c(c1)C)CNC(=O)/C(=C/NC(C)(C)C)/C=N)/C)/Nc1nn2c(c1)CCC2	SCHEMBL20054053	515.693	VRKCEYASUWUDEF-VVCGSZOPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157735
CC/C=C/N=C(/C=C(C)/c1cc(c(cc1)CNC(=O)/C(=C/N)/C=NC(C)(C)C)C)Nc1nn2CCCc2c1	PC-id_134421061	515.693	NUNZYCQFJRGAIG-BYVOZYMZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157736
N=C/C(=CNC(C)(C)C)/C(=O)NCc1ccc(cc1C)/C(=C/C(=NC=C(C)C)/Nc1nn2c(c1)CCC2)/C	SCHEMBL20461122	515.693	ODVRALXMUWZKAM-PSYOBNBQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157737
CC[C@@H]1[C@@H](Cc2c1c(C)sc2C(=O)CCc1cc(C)c(c(c1)C)OCC(CNC(=O)CO)O)C(C)C	PC-id_143295722	515.705	ZZRKUZYEIKGKNJ-NRSZHQCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157738
CC(C(C(c1ccccc1)O)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19312190	515.711	NEPTYVYCWHTIIT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157739
CC(OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19537505	515.711	OFMJBKRGRDAUOB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157740
OCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(C)C	SCHEMBL19537399	515.711	NKVCHNQWGYNRHE-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157741
OCCCC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537124	515.711	RNUUVGKPLQZVHT-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157742
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)NC(c1ccccc1)CC(O)(C)C	SCHEMBL19312120	515.711	HRHAUKKXGCZQSI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157743
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)N[C@@H](c1ccccc1)CC(O)(C)C	SCHEMBL19537527	515.711	HRHAUKKXGCZQSI-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157744
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCCCCCC)sc2CCCc2c1C#N	MCULE-7859161481,EMOLS-id_331788470	515.731	YVJXYPSUXNBTCO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157745
c1(NC(=O)C(C)Oc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7217996201,EMOLS-id_334389016	515.848	KEEFPWFHYVBVPG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157746
Brc1c(OCc2c(Cl)cccc2)c(OCC)cc(C=Nc2sc3CCCc3c2C#N)c1	PC-id_50886365	515.85	RUHVDYHUBRWCLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157747
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20173378	515.864	DOOUWAHDDGPFEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157748
Clc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20174084	515.864	DMXHNUJZGYHCHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157749
Clc1c(N2CCCC2=O)cc(F)cc1S(=O)(=O)NC(C(=O)N1Cc2sc(nc2C1)C)C(=O)N	PC-id_77892495	515.966	KWZOWDRAOSEFRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157750
Clc1c(N2CCCC2=O)cc(F)cc1S(=O)(=O)N[C@H](C(=O)N1Cc2sc(nc2C1)C)C(=O)N	PC-id_70662389,SCHEMBL12095988	515.966	KWZOWDRAOSEFRO-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157751
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NS(=O)(=O)c1cccc(c1)C(F)(F)F	PC-id_87056441	515.999	WNNNREIVNKGINZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157752
CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)nc12	BindingDB_PC-id_87056441,SCHEMBL16224726,BindingDB-id_722812	515.999	WNNNREIVNKGINZ-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157753
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)Cl)CCO)sc2CCCc2c1C#N	MCULE-5246221745,EMOLS-id_331791548	516.032	MQFYGVHQZPTWKZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157754
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1cc(ccc1)Cl	PC-id_89236612,SCHEMBL14055073	516.032	RBGGZRZEOVJXTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157755
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)Cl	PC-id_89237637,SCHEMBL14056275	516.032	TYKOHFQHZHQLQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157756
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1c(cc(cc1)NC(=O)CCc1ccccc1)Cl	PC-id_89236939,SCHEMBL14055481	516.032	QDVKWVGUVLTLEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157757
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1cc(c(cc1)NC(=O)CCc1ccccc1)Cl	SCHEMBL14057856,PC-id_89238979	516.032	VKRFSTPYBMTCQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157758
Clc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1	BindingDB_PC-id_59508333,PC-id_59508333,SCHEMBL597620	516.036	OJSMHIUSRXNYIB-CVEARBPZSA-N	00000010100010101001100010000000000000000000000000000000	25-01-157759
Clc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1	PC-id_59508187,SCHEMBL6378721	516.036	NUGXELBOVUZROZ-INIZCTEOSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157760
Clc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)N1C(CN(CC2CCOCC2)CC1)C)(C)C	PC-id_72310326	516.036	NUGXELBOVUZROZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157761
Clc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(C(=O)N3C(CN(C(C3)C)C3CCOCC3)C)Cc12)(C)C	PC-id_72310462	516.036	OJSMHIUSRXNYIB-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-157762
Clc1ccc(NC(=O)NC(C(C)(C)C)C(=O)N2CCN(CC2)CCN2Cc3n(C2=O)c(nc3)C)cc1	PC-id_23138195	516.036	BHWRTHXBJOKBRC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157763
Clc1ccc(NC(=O)N[C@H](C(C)(C)C)C(=O)N2CCN(CC2)CCN2Cc3n(C2=O)c(nc3)C)cc1	SCHEMBL3450071,PC-id_58858012	516.036	BHWRTHXBJOKBRC-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157764
CCCCCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)C1=CC=CC(=S(=O)=O)C1OC	SCHEMBL11260623,PC-id_88750886	517.677	UQWUREXUMCLOSM-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-157992
C1CCC(C(C1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)N1CCN(CC1)c1ccc(cc1)Cl)C(=O)O	SCHEMBL20353987,PC-id_135200402	516.052	LVZANBQZNIKBAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157765
C1C2=CN(N=C2CN1C(=O)C3(COC3)C4=C(C=CC=N4)Cl)S(=O)(=O)C5=CN(N=C5)CC(F)(F)F	PC-id_164872008	516.059	WTWSUNRCSZLBBF-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-157766
C1C2=CN(N=C2CN1C(=O)C3(COC3)C4=C(C=CC=N4)Cl)S(=O)(=O)C5=NN(C=C5)CC(F)(F)F	PC-id_164872275	516.059	CHCRUKKNDJCFOD-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-157767
CC1=C(SC(=N1)OCC(F)(F)F)S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4	PC-id_164872090	516.075	RWYJGOQRTGELGC-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157768
O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc2c(s1)CCC2	MCULE-4941134620,ZINC22_12584689,CoCoCo_3177253,EMOLS-id_43800171,PC-id_3322704	516.075	QSRKHRPDOVQIAN-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-157769
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C(=N1)NC(=O)C4=CC=C(C=C4)C(=O)O	PC-id_165180357	516.126	MLJANXSGJYRAGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157770
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)CC4(CCC(CC4)CC(=O)O)C)F	PC-id_165105876	516.183	NENHYPZEOVQXJC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157771
c1(C(=O)Nc2sc3CCCc3c2C#N)c(Br)c(OC)c(OC)c(OC)c1Br	MCULE-5680446973,EMOLS-id_327838475	516.204	OBAPYFZWTBYOEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157772
FB(n1c(cc2c1ccs2)/C(=C/1N=c2c(=C1)scc2)/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)F	PC-id_102104458	516.238	NYZPMBTUAFLNIZ-RGEXLXHISA-N	00000010100000110000000110000000000000000000000000000000	25-01-157773
CC1CN(CCN1C)C2=CC=C(C=C2)C(=O)NC3=NN(C4=C3CN(C4)C(=O)[C@H](C)C5=CC=CC=C5)C(=O)O	PC-id_162234367	516.249	ZVWCKVWWAJQNOU-MUMRKEEXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157774
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1[nH]ccc1)CC2=O	PC-id_11497221	516.25	KCMOWNJPSHGSPL-UHFFFAOYSA-N	00000010110010000001000010000000000000000000000000000000	25-01-157775
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC(=C5)F)F)OC	PC-id_149632214	516.255	AFIODYSQAGVSHT-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157776
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5)F)OC)F	PC-id_150170624	516.255	FJIYJEPPFJFODL-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157777
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=NN2)NC(=O)C4=NC=C(C=C4)NC(=O)C=C)C	PC-id_164941713	516.26	SKHCZXGMLGLUIJ-OAQYLSRUSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157778
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)F	MCULE-8042984841	516.34	PARKJODQDDGMFQ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157779
BrC1Cc2c(sc(N(S(=O)(=O)C)S(=O)(=O)C)c2Oc2c(F)cc(F)cc2)C1=O	PC-id_49875141	516.355	NWYUTVRAUPBIGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157780
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(Br)cc2C)sc2CCCc2c1C#N	EMOLS-id_333651602,MCULE-7538476722	516.368	WVICLSKQDXCDRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157781
c1(NC(=O)COc2nonc2CC(=O)Nc2ccc(Br)c(C)c2)sc2CCCc2c1C#N	MCULE-6745751273,EMOLS-id_333651088	516.368	HSHNRNVDJFHJLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157782
CC1CCCCCC(CC1)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)NC(CN(C)C)C4CCOCC4	PC-id_154973900	516.379	BFYNYSMTRQVGTD-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-157783
c1(NC(=O)c2ccccc2I)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330275,MCULE-1720079731	516.395	LCZUXPLTMCWJOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157784
c1(NC(=O)COc2cccc(c2)NC(=O)COc2ccc(Cl)cc2Cl)sc2c(CCC2)c1C#N	MCULE-8247634071,EMOLS-id_323194190	516.396	PLWZLWWHJWCNPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157785
Brc1cc(c(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)cc1)C	PC-id_16948076	516.407	GJRCGVWLFVGGGU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157786
Brc1c(cc(NC(=O)C2CCc3sc(nc23)NC(=O)c2cc(OC)cc(OC)c2)cc1)C	PC-id_16948081	516.407	SOMMTFXPOLTQCI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157787
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)c1noc(c1)COc1ccc(cc1)C(F)(F)F	PC-id_117993852,SCHEMBL16618222	516.426	SDDKZHJYQMYALA-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157788
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)n1nnc(c1)COc1ccc(cc1)C(F)(F)F	PC-id_117999632,SCHEMBL16624952	516.429	PSDJBUKOAMLSMQ-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157789
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1cccc(c1)n1nnc(c1)COc1ccc(cc1)C(F)(F)F	SCHEMBL16624968,PC-id_117999647	516.429	DOIAMYJKVQCKCK-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157790
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccccc1n1nnc(c1)COc1ccc(cc1)C(F)(F)F	SCHEMBL16625051,PC-id_117999719	516.429	YGJLOCMWTGFSKI-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157791
Brc1ccc(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_73382736	516.431	OWNPVRVIRTVYPC-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-157792
Brc1ccc(CC(=O)Nc2cccc(OCC(=O)Nc3sc4CCCc4c3C#N)c2)s1	MCULE-2851468023,EMOLS-id_323172291	516.431	BMOLISAWJABFIX-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-157793
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c3ccc(Br)cc3)o2)sc2c1CCC2	PC-id_17334729,ZINC22_57316648	516.431	OWNPVRVIRTVYPC-PKNBQFBNSA-N	00000010101000110000100010000000000000000000000000000000	25-01-157794
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331811,MCULE-8189039465	516.439	ADHOXAQZOAXYES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157795
CC1(c2c(CN1C(=O)Nc1c(cc(cc1Cl)F)Cl)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348623,PC-id_135195491	516.459	QFDPKIOGRWESRQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157796
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCCO	PC-id_135360563,SCHEMBL20538912	516.512	WJHYGVLOOCSFOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157797
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CCCO	SCHEMBL20538981,PC-id_135360622	516.512	ZCPXUBCJKXNBSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157798
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCCO	PC-id_135360562,SCHEMBL20538911	516.512	WJHYGVLOOCSFOC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157799
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CCCO	SCHEMBL20538980,PC-id_135360621	516.512	ZCPXUBCJKXNBSQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157800
CN(CC(c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(F)(F)F)C	SCHEMBL1205904,PC-id_66941636	516.515	VHFMQNWIAMUYSE-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157801
CN(C[C@H](c1ccccn1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)C(F)(F)F)C	PC-id_58015573,SCHEMBL1205900	516.515	VHFMQNWIAMUYSE-LJQANCHMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157802
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-3210447219	516.525	UXRQHPYMWKECNA-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-157803
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-4804639268	516.525	RCJAJXXWAGQPDT-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-157804
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)C(F)(F)F)CC)sc2CCCc2c1C#N	EMOLS-id_332714819,MCULE-4005718928	516.535	CNOGHGXKKUUENY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157805
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C(F)(F)F)CC)sc2CCCc2c1C#N	MCULE-6298328144,EMOLS-id_332714565	516.535	XEJUAWRBRSLCTH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157806
COc1ccc(cc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)csc2[N+](=O)[O-])CS(=O)(=O)C	PC-id_141237095	516.543	WBYVDGALBBDTGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157807
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N(C)C)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_57703879,SCHEMBL4278110	516.547	SZFRJECDPYCHPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157808
O1C(CN2CCN(CC2)C(=O)OCc2ccc(NC(=O)OC(C)(C)C)cc2)(Cn2c1ncc2[N+](=O)[O-])C	SCHEMBL6427001,PC-id_23081496	516.547	IZEKAFWVHPNPRY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157809
O1C(CN2CCN(CC2)C(=O)OCc2ccc(NC(=O)OC(C)(C)C)cc2)(Cn2c1nc([N+](=O)[O-])c2)C	PC-id_69482361,SCHEMBL5546228	516.547	WRTLDSKJSAILQQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157810
c1(NC(=O)COc2nonc2CC(=O)NCc2ccc(cc2)S(=O)(=O)N)sc2CCCc2c1C#N	EMOLS-id_333687632,MCULE-1164312612	516.55	YWBLFDJZUGRKPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157811
c1(NC(=O)COc2nonc2C(=O)NCCc2ccc(cc2)S(=O)(=O)N)sc2CCCc2c1C#N	MCULE-7189291759,EMOLS-id_333714494	516.55	ATXVKJNCBNMBLY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157812
NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)sc2c1CCC2	EMOLS-id_43859507,PC-id_2397943,MCULE-3758334544,ZINC22_35526398,CoCoCo_3374464	516.557	BGLVGTQHTCVSML-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157813
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCNCC1	PC-id_24751185,SCHEMBL4293054	516.563	RYTHQHVTPXTLNL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157814
CN1CCN(CC1)c1ccc(cc1F)C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)OC(C)(C)C)C(=O)O	PC-id_143531826	516.565	ZNWFOPMCOKTQOA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157815
CC(Cc1[nH]nc2c1CN(C2)C(=O)CC1=COC(O1)Cc1ccccc1)CCNC(=O)c1ccccc1O	PC-id_68441205,SCHEMBL2920176	516.588	NISIHXTZTXUCSY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-157816
Cc1ccc(NC(=O)c2c(NC(=O)C(C)c3ccc(C(=O)c4ccccc4)cc3)c(C#N)c3n2CCC3)cc1	PC-id_45112547,CHEMBL565875	516.59	UUSFDVRIOIFNBR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157817
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1scc(n1)CC(=O)OCC	PC-id_16948085	516.59	SQYDOUOHLZGNQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157818
CC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1OC)NC(=O)C=C	PC-id_145111588	516.591	MSJRNPGZNCFYFH-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157819
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC22_408607418	516.605	MAYCVTVVYTZUSB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157820
CCOC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408620161	516.605	NDFDUNXPUQNPME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157821
CCOC(=O)c1c(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)sc2CCCc12	EMOLS-id_327950910,MCULE-1594658267	516.606	WLSMDEGCVFONFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157822
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC=C)C(=O)OC	PC-id_19640587	516.608	IEAIDCVNKSZLOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157823
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)CC=C)C(=O)OCC	PC-id_17305397	516.608	DMKDFNGAWBFAML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157824
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331929370,MCULE-1374444772	516.61	MYYNZBXJJWUDEN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157825
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331920927,MCULE-5526912821	516.61	JPYFGWHOUSTUCO-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157826
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315840,SCHEMBL20485375	516.61	HLJYRSJCVDQMCN-NRWPOFLRSA-N	00001010100010000001000010000000000000000000000000000000	25-01-157827
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	SCHEMBL20485376,PC-id_135315841	516.61	HLJYRSJCVDQMCN-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-157828
CCC(N1Cc2c(S1(=O)=O)cc(s2)C#Cc1ccc(cc1)NS(=O)(=O)c1ccccc1)C(=O)O	SCHEMBL13786757,PC-id_57791609	516.61	FWSHNLQMYBUFPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157829
CC1CN(CC2(O)CCOCC2)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F)C	PC-id_142791071	516.611	QHPODLYCTXKTMR-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157830
C[C@@H]1CN([C@@H](C)CN1CC1(O)CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C	BindingDB-id_546068,PC-id_59333921,BindingDB_PC-id_59333921,SCHEMBL3327088	516.611	QHPODLYCTXKTMR-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157831
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C[C@@H]2C)C2CCOCC2)C3(C)C)n1	BindingDB_PC-id_25158853,SCHEMBL3324731,PC-id_25158853,BindingDB-id_546109	516.611	JWYXRUDREQLTML-CVEARBPZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-157832
CCOP(=O)(CC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC)C[N+]1(Cc2csc(c2C1)[O-])[O-]	PC-id_88472845	516.611	ZOZWGDOJGSQMIQ-UHFFFAOYSA-M	00000010100000000000000010000000000000000000000000000000	25-01-157833
CCOP(=O)(C[N+]1([O-])Cc2c(C1)csc2[O-])CC(C(=O)N[C@H](C(=O)NC)CC(C)C)CC(C)C	SCHEMBL9506286	516.611	ZOZWGDOJGSQMIQ-BXYJFQRFSA-M	00000010100000000000000010000000000000000000000000000000	25-01-157834
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)C1CCOCC1)F	SCHEMBL19195032	516.611	SPYVRUSAULQZRD-CVEARBPZSA-N	00000010100010100001100010000000000000000000000000000000	25-01-157835
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(C[C@@H]1C)CC1CCOCC1)F	SCHEMBL19201025	516.611	KEZFNPURKLOMPR-INIZCTEOSA-N	00000010100010100001000010000000000000000000000000000000	25-01-157836
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_24223880,MCULE-3857742758	516.63	NSNWAMCLGHPDSQ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-157837
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1c(SCC(=O)N2CCCC2)cccc1)C(=O)OCC	PC-id_16502258	516.63	XCZBCAVYDBGQLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157838
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1c(occ1)C)C(=O)OCC	PC-id_19725959	516.633	LRQFFRXLSPPNLP-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-157839
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(OC)cc1)C(=O)OCC	PC-id_19633345	516.633	MMYJIUDWUMNAFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157840
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC)C(=O)OCC	PC-id_19730982	516.633	LUSILQWWNLHDRF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157841
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC)C(=O)OC	PC-id_19640204	516.633	HZUGFZVRKOCBDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157842
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)C)C(=O)OCC	PC-id_19640093	516.633	KSMZRPMACRJYOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157843
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)(C)C)c1ccccc1	PC-id_11386779,SCHEMBL1377847	516.635	NAPSHPDIOJOSTK-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-157844
CCc1c(c(ccc1)CC)NC(=O)NN1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_91231758	516.638	HHBMFEOHAIMHCG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157845
CCOC(=O)c1c(NC(=O)CCSc2n[nH]c(n2)N/N=C/c2cnn(c2)C(C)C)sc2c1CCC2	GD-id_ZINC20911099	516.64	VMDZETUGBHXCTC-AUEPDCJTSA-N	00000010100000000001000010000000000000000000000000000000	25-01-157846
c1(NC(=O)C(=Cc2ccc(cc2)OCC)c2ccccc2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-5453531542	516.651	VBYOCGFUZCGASB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157847
CC[C@H]1c2nc(sc2CN1[C@H](c1ncc(cc1F)C)C)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18368045	516.651	OBQWZZNTGCNMPJ-JXFKEZNVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157848
CCOc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C(=O)NCC2CCCO2)c2ccccc2)cc1	EMOLS-id_334333352	516.651	VBYOCGFUZCGASB-XIEYBQDHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157849
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)[C@@H](c1ncc(cc1F)C)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368043	516.651	VYAKNYDGXAVFSA-GYCJOSAFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157850
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)[C@H](c1ncc(cc1F)C)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368048	516.651	VYAKNYDGXAVFSA-FYSMJZIKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157851
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCOCCO)sc2CCCc2c1C#N	MCULE-1179485611,EMOLS-id_331930905	516.653	URLHJTYIUROOBJ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157852
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCOCCO)sc2CCCc2c1C#N	MCULE-8651938867,EMOLS-id_331928346	516.653	XLXLHUXOUTXFCD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157853
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331922716,MCULE-8579370054	516.653	BHELBNUCYPOUBG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157854
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCCCCO)sc2CCCc2c1C#N	MCULE-7111954359,EMOLS-id_331932181	516.653	LMUAHIKWCLMBQC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157855
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCOC(C)C)sc2CCCc2c1C#N	EMOLS-id_331929366,MCULE-8489358969	516.653	ATEKRACIAXMSEW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157856
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCCOCCCC)sc2CCCc2c1C#N	EMOLS-id_331923229,MCULE-7082114811	516.653	LZOZOPFAODAULS-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157857
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_331920662,MCULE-2908056625	516.653	WKJGGZPGCIOTOB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157858
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CCCC)sc2CCCc2c1C#N	MCULE-6639970018,EMOLS-id_331920666	516.653	HUGPZGPCGKYUPC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157859
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCCCCC)sc2CCCc2c1C#N	MCULE-7783707206,EMOLS-id_331934736	516.653	JDXOQVMFRURDAL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157860
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)COc1ccccc1	SCHEMBL19312198	516.653	OVFHPCVWQAMJBV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157861
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCc2ccc(C)cc2)sc2CCCc2c1C#N	MCULE-7875643541,EMOLS-id_331925272	516.654	RAOHYUGMOVTMAY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157862
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_331923739,MCULE-8136897883	516.654	XBVYEWUBCJBVHU-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-157863
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-9717840959,EMOLS-id_331933203	516.654	FJOLKIQWTTXGAC-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-157864
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2cccc(C)c2)sc2CCCc2c1C#N	MCULE-9490555639,EMOLS-id_331925017	516.654	UOMOQWKINHFQCV-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-157865
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-5174715123,EMOLS-id_331922971	516.654	XNXVCZFLCCUIMO-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-157866
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-5404745258,EMOLS-id_331925264	516.654	DAVMJPHKBQYTME-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-157867
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331927312,MCULE-5042765416	516.654	GMGBVMAJQMJIAT-UHFFFAOYSA-N	00000010100000111100000010000000000000000000000000000000	25-01-157868
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-2861476926,EMOLS-id_331926800	516.654	GPOKGRWSOUNMKB-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-157869
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CCCC)CC=C)sc2CCCc2c1C#N	EMOLS-id_332715840,MCULE-3880228641	516.654	FIZLANQIJYZMHA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157870
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)C(C)(C)C)CC=C)sc2CCCc2c1C#N	EMOLS-id_332716865,MCULE-2097793733	516.654	LZGUHKFTHVACSN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157871
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C(C)(C)C)CC=C)sc2CCCc2c1C#N	MCULE-2002191378,EMOLS-id_332714561	516.654	PPJAHJWIGYTRRS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157872
C[C@H]1CN([C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2N/C(=C(/C)F)/N=C(/C)N=C)C)CC1CCOCC1	SCHEMBL20193382,PC-id_134546109	516.655	NJLHOOYLCWFMBN-VPWPUYRXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-157873
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(c(cc2)C)C)nn1)C(=O)OCC	PC-id_23937373	516.656	UJEQQYRBOMOTQP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157874
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(cccc2)C)nn1)C)C(=O)OCC	PC-id_23766972	516.656	FKHVFYUIHOBTGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157875
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(cc2)C)nn1)C)C(=O)OCC	PC-id_23932804	516.656	FZNMYCMFPDFBDF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157876
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(ccc2)C)nn1)C)C(=O)OCC	PC-id_24072854	516.656	DRNCJDMYVFEKGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157877
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)Cc2ccccc2)nn1)C)C(=O)OCC	PC-id_23908145	516.656	WRTUJOBAQAVNBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157878
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)CCc2ccccc2)nn1)C(=O)OCC	PC-id_23940521	516.656	QFIKWXCEZXEIHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157879
s1c2c(CCC2)c(c1C(=O)CC(CC(=O)c1c2CCCc2sc1C(=O)OCC)(C)C)C(=O)OCC	PC-id_23761226	516.669	GUYMOWYAPXNMBZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-157880
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_331789238,MCULE-9206694707	516.676	WNPSSKRANYXTNO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157881
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCN2CCOCC2)sc2CCCc2c1C#N	MCULE-2584864293,EMOLS-id_331790516	516.676	QOKJLYRQNAPDMW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-157882
OCCCNc1nc(Nc2sc3c(n2)CCC3)cc(c1)S(=O)(=O)N(c1ccccc1)CCN(C)C	PC-id_118628236,SCHEMBL17397960	516.679	SIRJHRYZRPUMKO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-157883
S(CC(=O)O[C@H]1[C@]2([C@H]3[C@@]([C@H]([C@H](O)[C@](C1)(C)C=C)C)(CC[C@H]2C)CCC3=O)C)Cc1oc2c(n1)CNC2	PC-id_78320847	516.693	HWFZOKSRXFEAQR-ZHOIYGKWSA-N	00000010100010000101000010000000000000000000000000000000	25-01-157884
O=C(Nc1ccc(Sc2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1)c1cc2c(s1)CCC2	MCULE-1446410116,ZINC22_3230678,EMOLS-id_48976312,PC-id_2348769,CoCoCo_3758409	516.697	YVCGELUVHODUOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157885
CCCCc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)OCC)CCC4)s2)cc1	EMOLS-id_43686028,ZINC22_12580774,CoCoCo_2810299,MCULE-1129056575,PC-id_3680127	516.699	KSQOADSUGHYBTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157886
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC=C)C(=O)OCC	PC-id_17299901	516.699	MHKGXWARYMBHES-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-157887
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC=C)C(=O)OCC	PC-id_19719493	516.699	MJRXPBCTQMJNKO-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-157888
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC=C)C(=O)OCC	PC-id_19720265	516.699	APGIHXZYWSDNGV-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-157889
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(c1ccccc1)Oc1ccccc1	PC-id_140817048	516.707	KUELEYIFHCEBIP-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-157890
[Si](OCC1CC(c2n(ncc12)C)CN1CCC(=O)NC1=O)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73202744	516.707	SEWJFMZSDCXYAU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157891
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCCN(CC)CC)sc2CCCc2c1C#N	MCULE-1011559442,EMOLS-id_331790010	516.719	UIWGOQPLVDIGNL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157892
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCN(CC)CC)sc2CCCc2c1C#N	MCULE-2295337790,EMOLS-id_331789752	516.719	FFJYMXBEJCCUOQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157893
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCN(CC)CC)sc2CCCc2c1C#N	MCULE-9337769904,EMOLS-id_331788985	516.719	DSCHFVUPSLCXOF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157894
CCCCCCCCCCCCCCCCCCSC1(CSc2c1sc(c2)[N+](=O)[O-])[N+](=O)[O-]	SCHEMBL9272531,PC-id_21479732	516.78	QYQBDOIGKSJXJQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-157895
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C)Cl	PC-id_134598981,SCHEMBL20252881	516.928	BKVPMSMKKHTIOU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-157896
NN/C=C(/C1(CC1)NC(=O)C(=C1CCC1)c1n2CCCc2c(c1Cl)C(=O)Nc1ccc(c(c1)F)F)N	PC-id_139444970,SCHEMBL21307790	516.971	WMLHAXYPVNGHRR-PDGQHHTCSA-N	00101010100000110000000010000000000000000000000000000000	25-01-157897
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(F)c(Cl)c2)CCO)sc2CCCc2c1C#N	MCULE-4207391152,EMOLS-id_332715855	516.972	SNJSPXVYJUDRRD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157898
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O)Cc1ccccc1	MCULE-8654219548	516.999	NLKZAPNGPWJOBG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157899
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_17302965	517.063	MQLIHLMRWADFCX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157900
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@@H](CO)C4=CC=CC=C4Cl)CC(F)(F)F	PC-id_164872087	517.08	ZZBAKPRIEFRLFG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157901
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)[C@H](CO)C4=CC=CC=C4Cl)CC(F)(F)F	PC-id_164872105	517.08	ZZBAKPRIEFRLFG-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157902
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3F)OCCO)S(=O)(=O)C4=NN(C=C4)CC(F)(F)F	PC-id_164931925	517.104	CFLWLWDEFRQHNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157903
C1C2=CN(N=C2CN1C(=O)[C@@H](C3=CC=CC=C3F)OCCO)S(=O)(=O)C4=NN(C=C4)CC(F)(F)F	PC-id_164872328	517.104	CFLWLWDEFRQHNT-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157904
C1C2=CN(N=C2CN1C(=O)[C@H](C3=CC=CC=C3F)OCCO)S(=O)(=O)C4=NN(C=C4)CC(F)(F)F	PC-id_164872329	517.104	CFLWLWDEFRQHNT-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157905
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C(=N1)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_165180361	517.121	PRJNCUVLSZNFEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157906
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2C)C(=O)C(=O)NC4(CC(C4)(F)F)C5=NN=CS5)F	PC-id_160495134	517.14	DFILHEVCJITACR-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-157907
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)CC(=O)O)C)F	PC-id_165032563	517.178	BOUUJAXJHYONNY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-157908
CC1CCC(N1S(=O)(=O)C2=C3C=CCN3C(=C2C)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278810	517.18	CWZOXFLSYRNGIM-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-157909
Cc1c(n2CCCc2c1C(=O)C(=O)NC(C)(CC(C)(F)F)C(=O)NC)C(=O)Nc1cc(c(cc1)F)C#N	PC-id_163714190	517.194	KLXDKXXDLBIQDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157910
c1(NC(=O)COc2c(C)cc(cc2Br)Br)sc2c(CCC2)c1C(=O)OCC	ZINC22_2145134,PC-id_1797965,MCULE-1367342085,CoCoCo_6153578,SPECS-id_AN-465/40935100,EMOLS-id_1671714	517.231	KRBWRXDZECFNNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157911
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccoc1)CC2=O	PC-id_11606022	517.235	ICKLVIFLTFYDMZ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-157912
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1occc1)CC2=O	PC-id_11591661	517.235	NWWGSWBCAMAXHQ-UHFFFAOYSA-N	00000010101010000001000010000000000000000000000000000000	25-01-157913
CCC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)cc1	SCHEMBL17878718,PD165147,ZINC22_888088075,PC-id_121443989	517.28	VWSDWOYFAZHKHK-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157914
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(nnc4CN)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_69075438,SCHEMBL4516087	517.365	ROIPZHQUQTXSSH-BHWOMJMDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157915
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(nnc4CN)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_69075436,SCHEMBL4516082	517.365	ROIPZHQUQTXSSH-IRXDYDNUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157916
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4CN)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_11720503	517.365	ROIPZHQUQTXSSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157917
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O)CCC	MCULE-2532227284	517.371	OGNDATLKSHSOSX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-157918
Clc1cc(CC2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	SCHEMBL1045631,PC-id_66887502	517.404	QKWWRWDPEKUFQM-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157919
Clc1cc(CC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	SCHEMBL1045632,PC-id_66887503	517.404	QKWWRWDPEKUFQM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157920
Clc1cc(CC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	SCHEMBL1045983,PC-id_66887562	517.404	QKWWRWDPEKUFQM-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-157921
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)N	PC-id_73562591,MCULE-5909122733	517.424	WRRRONYKVRBCKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157922
Clc1c(COc2c(OC)cc(/C=C/C(=O)Nc3sc4c(CCC4)c3C(=O)N)cc2)c(Cl)ccc1	PC-id_19191874	517.424	WRRRONYKVRBCKS-PKNBQFBNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157923
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(Cl)c(Cl)c2)CC)sc2CCCc2c1C#N	EMOLS-id_332714307,MCULE-9264256930	517.427	RKADZPLXRSYEDR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157924
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(Cl)cc(Cl)c2)CC)sc2CCCc2c1C#N	MCULE-1125427164,EMOLS-id_332717123	517.427	QNYWGWTWGWMLLR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157925
CC1=C(/C=C/c2ccc(cc2)[N+](=O)[O-])n2c(C1(C)C)c(c(n2)C(C(F)(F)F)(F)F)C(=O)c1ccccc1	PC-id_101403592	517.447	MOUQZRPUPWYCTK-SDNWHVSQSA-N	00000011100000110001000010000000000000000000000000000000	25-01-157926
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)[N+](=O)[O-]	SCHEMBL20539582,PC-id_135361126	517.457	PLXXLXKETNGZJY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157927
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)[N+](=O)[O-])C	SCHEMBL18758563	517.457	PLXXLXKETNGZJY-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157928
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1076632037,PC-id_18848683	517.467	WLWNZWWHKJSLSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157929
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5224852134,EMOLS-id_334331566	517.467	RWWUDLKDYKBZBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157930
FC(F)(F)c1ccc(CN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_10414224,SCHEMBL5534767	517.5	JMBCEUCFQUVBIJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157931
FC(F)(F)c1ccc(CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5543862,PC-id_10006788	517.5	JMBCEUCFQUVBIJ-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-157932
FC(F)(F)c1ccc(CN2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5544338,PC-id_9984069	517.5	JMBCEUCFQUVBIJ-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157933
FC(F)(F)c1c(N2CCN(CC2)Cc2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_53469643	517.5	JEEBVIRCLXDNKE-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-157934
FC(F)(F)c1c(N2CCN(CC2)Cc2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_76037079	517.5	JEEBVIRCLXDNKE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157935
Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL16618226,PC-id_117993856	517.53	ULIMGNUSMBKJGL-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157936
COC(=O)c1ccc(cc1)[C@@H](NC(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)N(C)C)O)C	SCHEMBL21081607,PC-id_138705441	517.543	SIJANWICSVWJTH-GZWBLTSWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157937
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCOCC1	PC-id_68983821,SCHEMBL4278208	517.548	RHFIFJZZYHKOJB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157938
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)CNC)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524060	517.548	HUHZANPXCWAXLF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157939
COC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)F)sc2c1CCC2	PC-id_121040977	517.55	BSAKJMLJNMGICH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157940
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCC2)c1C(=O)N)c1c(cccc1)C(F)(F)F	PC-id_2397942	517.565	BGLVGTQHTCVSML-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-157941
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-7756472294	517.571	OBXKPTJHAJPHAS-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-157942
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C)NC(=O)c1ccc(cc1)N1CCOCC1	PC-id_68443824,SCHEMBL2926897	517.576	POSQVCPQZOWLHQ-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157943
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCOCC3)cc2)C(=O)OCC)C1)C(c1ccccc1)C	PC-id_21874051	517.576	POSQVCPQZOWLHQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157944
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccccc1[N+](=O)[O-]	PC-id_24946079,SCHEMBL1984990	517.58	UMXMZJSNKOEWMB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157945
CON=C(C(=O)NC1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cc2c(n1C)CCC2)c1csc(n1)N	PC-id_141556887	517.581	IUDHRLDGJXTWMK-XCWJXAQQSA-N	00001010100011000001001010000000000000000000000000000000	25-01-157946
s1c(c2C(N(Cc2c1C(=O)OCC)Cc1ccccc1)C(C(=O)OCC)C(=O)OCC)C(=O)OCC	PC-id_10414233	517.591	SINJSHBERLXASR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157947
c1(NC(=O)CNC(=O)c2cc(c(OC)c(OC)c2)OC)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335140,MCULE-6647797614	517.595	UFDAWNPRAVRZDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157948
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)CO)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135306918,SCHEMBL20474992	517.595	MHBPSDHTOKQPOA-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-157949
OCC1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC2CCCCO2)C)CC1	SCHEMBL17080617,PC-id_118368884	517.595	MHBPSDHTOKQPOA-MQNHUJCZSA-N	00100010100010000001000010000000000000000000000000000000	25-01-157950
OCC1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(C(=O)NO[C@H]2CCCCO2)C)CC1	SCHEMBL17080620,PC-id_118368888	517.595	MHBPSDHTOKQPOA-XUZZJYLKSA-N	00100010100010000001000010000000000000000000000000000000	25-01-157951
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-8551262709,CoCoCo_2661680,PC-id_4420902,EMOLS-id_16381949	517.596	OJWBBKAZNUOBIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157952
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661541,PC-id_5064296,MCULE-5240239311,EMOLS-id_16381935	517.596	CBZMVSQWPCKXME-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157953
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053637	517.596	NKLLCZQQILXUPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157954
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-1464662017,EMOLS-id_331931163	517.598	RMEPGZMVUIZUKC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157955
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)NC(=O)C)CC=C)sc2CCCc2c1C#N	EMOLS-id_332717376,MCULE-2004513353	517.599	IDYBMIWHYSORIY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157956
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)NC(=O)C)CC=C)sc2CCCc2c1C#N	MCULE-5176236670,EMOLS-id_332715328	517.599	MCRLNMOBJAQQHP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-157957
[2H]CN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	PC-id_135315358,SCHEMBL20484816	517.616	HLJYRSJCVDQMCN-VMNATFBRSA-N	00001010100010000001000010000000000000000000000000000000	25-01-157958
[2H]CN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18588152	517.616	HLJYRSJCVDQMCN-CIJJEADCSA-N	00001010100010000001000010000000000000000000000000000000	25-01-157959
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_3336099	517.618	SUHIAQIFJSNIBM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157960
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331788471,MCULE-6193567856	517.619	BWZDZSAVMMGTKT-UHFFFAOYSA-N	00000010101000111000000010000000000000000000000000000000	25-01-157961
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)NC(=O)C1CC1)CCn1c(C)cc2c1CC(C2)(C)C	PC-id_139418493,SCHEMBL21277330	517.619	YPKAHVGEZWDMSG-UHFFFAOYSA-N	00100010100000101000100010000000000000000000000000000000	25-01-157962
s1c(O)c2C[N+]([O-])(CP(=O)(OCC)CC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC)Cc2c1	PC-id_76103485	517.619	ZOZWGDOJGSQMIQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-157963
s1c(O)c2C[N+]([O-])(CP(=O)(OCC)CC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC)Cc2c1	PC-id_54558700	517.619	ZOZWGDOJGSQMIQ-BXYJFQRFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-157964
s1c2c(CCC2)c(c1NC(=O)CSC1NNC(c2c(NC(=O)C)cccc2)C(=O)N1)C(=O)OCC	PC-id_73265508	517.621	OMBQBUVDYNCCDO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157965
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC(=O)NCc2occc2)C1	PC-id_44053314	517.621	SHUUWFCDTRYILI-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-157966
CCC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	PC-id_137497894,SCHEMBL20741157	517.623	VWSDWOYFAZHKHK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-157967
c1(NC(=O)COc2c(Cl)c(Cl)c(c(Cl)c2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_1669150,MCULE-4290850776	517.638	PYKUJEAXLRAQSC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157968
Fc1ccccc1N1CCN(CC1)Cc1cccc(c1)OC[C@@H]1CCCN(C1)C(=O)c1[nH]nc2c1CCC2	CoCoCo_1399257,CoCoCo_1399261,PC-id_42483795,CoCoCo_1399259,CoCoCo_1399255	517.638	OFBBDFNCCWFHBG-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157969
Fc1ccccc1N1CCN(CC1)Cc1cccc(c1)OC[C@H]1CCCN(C1)C(=O)c1[nH]nc2c1CCC2	CoCoCo_1399260,CoCoCo_1399256,PC-id_42483797,CoCoCo_1399262,CoCoCo_1399258	517.638	OFBBDFNCCWFHBG-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157970
Fc1c(N2CCN(CC2)Cc2cc(OCC3CCCN(C3)C(=O)c3n[nH]c4c3CCC4)ccc2)cccc1	PC-id_45213562	517.638	OFBBDFNCCWFHBG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-157971
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331931412,MCULE-8507751504	517.641	LSFXQMSLDFWWFW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157972
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)C(=O)OC	PC-id_19678966	517.641	LWJQNYFXOFYLHC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157973
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(OC)cccc2)cc1)C(=O)OC	PC-id_19679062	517.641	SUSXCENAIQSHGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157974
COC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408601677	519.033	BEDFETMSVQRFCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158204
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-3155746960,EMOLS-id_331929626	517.642	BOVYZKNPQKXYBV-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157975
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-3998916914,EMOLS-id_331919646	517.642	AHLKPAUXZHSADQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157976
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-9878369808,EMOLS-id_331925785	517.642	HNLCEAKGPJJITA-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157977
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-7353187582,EMOLS-id_331927579	517.642	FAVNOKJXSRIHMV-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-157978
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-9560345526,EMOLS-id_331931162	517.642	REIYGVNUMSGBQS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157979
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_331921182,MCULE-3835351272	517.642	UMJXMRHMZXOKFN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157980
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-6921854342,EMOLS-id_331921694	517.642	JCFYCNMMERLGEY-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-157981
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331923738,MCULE-6977646068	517.642	ZVHIVUICYOLHOP-UHFFFAOYSA-N	00000010100000101100000010000000000000000000000000000000	25-01-157982
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-1318528277,EMOLS-id_331927321	517.642	FANKUFAGLOLCLL-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-157983
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)c2ccccc2)CC)sc2CCCc2c1C#N	EMOLS-id_331923478,MCULE-3288831854	517.642	WUAGVMCPEDMSQL-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-157984
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331926032,MCULE-9325489487	517.642	KJTREIILUJMLIS-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-157985
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N2CCCC2)CC)sc2CCCc2c1C#N	EMOLS-id_332714053,MCULE-9106377218	517.642	IXRONMSRNVGWKJ-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-157986
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCc2ccncc2)CC=C)sc2CCCc2c1C#N	MCULE-8205810943,EMOLS-id_331926548	517.642	CIZXESHMTWTBHV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157987
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(c(cc3)C)C)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053883	517.642	VTYSOAKCMUGCQW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157988
N#Cc1c(NC(=O)c2cc(ccc2NCCCN(C)C)S(=O)(=O)N2CCOCC2)sc2c1CCC2	CHEMBL431263,PC-id_44324521,BindingDB_PC-id_44324521	517.664	YYWNHAAWIVOXHA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-157989
COCCc1cc(ccc1CNC(=O)N1CC[C@H](C1)C(C)(C)C)c1ccnc(n1)Nc1cnn2c1CCC2	SCHEMBL16794344,PC-id_118139678	517.666	RBZRKIPNDXWJSB-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157990
CCCCCCCCCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1S(=O)(=O)OC	SCHEMBL11005405	517.677	IDAJDKXODCBYGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157991
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CSc1ccc(cc1)C)c1ccccc1)C#N	PC-id_21013948	517.689	SATJTJYVVWHWFN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-157993
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N(CCCCCC)CCCC)sc2CCCc2c1C#N	EMOLS-id_333772372,MCULE-8248439156	517.704	NNDZNCDPLASLQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-157994
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCCCCO)sc2CCCc2c1C#N	MCULE-3351984625,EMOLS-id_331788991	517.704	SMDACPXSQXYMJB-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157995
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-4606143460,EMOLS-id_331792057	517.704	GXKZWPFGUPKAQN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157996
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCCOCCCC)sc2CCCc2c1C#N	MCULE-4754370021,EMOLS-id_331788465	517.704	BJMHSFMHTBNTRI-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157997
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCCCCCC)sc2CCCc2c1C#N	MCULE-6148428962,EMOLS-id_331788726	517.704	WVNFAFPZUMTMBY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-157998
ClCC(C(CS(=O)(=O)n1nc2c(c1I)CN(C2)C(=O)OC(C)(C)C)C)C	PC-id_122493984,SCHEMBL18022696	517.81	ZBTOZQQZTGZBLE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-157999
CCCCCCCCCCCCCCCCCC(N1C(=O)c2c(C1=O)csc2)CCCCCCCC	PC-id_102221472	517.85	OJXKDXORZODFCC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158000
n12nc(nc1sc(=Cc1ccc(c3c(Cl)ccc(c3)C(F)(F)F)o1)c2=O)COc1ccc(cc1)C	MCULE-3690770617	517.907	UZLDRSATDANWHE-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158001
n12nc(nc1sc(=Cc1ccc(c3c(Cl)ccc(c3)C(F)(F)F)o1)c2=O)COc1ccccc1C	MCULE-9778349672	517.907	PNVMGTVFVGWSHP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158002
Clc1ccc(nc1)[C@@](Nc1sc2CCCc2n1)(Cc1ccccc1)c1cc(cc(F)c1)C(F)(F)F	BindingDB_PC-id_76310713,PC-id_76310713	517.969	JAZYOEMGSRNDNO-RUZDIDTESA-N	00000010100000111001000010000000000000000000000000000000	25-01-158003
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-1217258396	517.983	IJZXNILQRFGDLS-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158004
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-7342766708	517.983	ROFICXXISDDDAE-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158005
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-8114583331	517.983	IHZMKUOHMWKCJD-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158006
c1(NC(=O)C2CC(=O)N(c3c(OC)ccc(Cl)c3)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_334335400,MCULE-2036171137	518.025	LFPQERMTLAFHHY-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-158007
Clc1sc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_44005377	518.027	BRJBYBUZJVOBRY-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-158008
CC[C@]1(C)N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367971	518.091	LYWRIRVNCQFYMY-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158009
CC[C@@H](C1N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL16213584,PC-id_117680246	518.091	FIHAINFIDKEGNP-FXIRQEPWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158010
CC[C@H](C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB-id_722816,BindingDB_PC-id_117680244,SCHEMBL16213582,PC-id_117680244	518.091	FIHAINFIDKEGNP-FYSMJZIKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158011
CC[C@@H]([C@@H]1N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)C(c1ccc(cc1)S(=O)(=O)C)C(=O)N)C	PC-id_140763635	518.091	QLBQGFWSWHIFLP-LYKDLBLGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158012
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)Cl	PC-id_87056523	518.091	BLHWPPPDDZOVIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158013
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)cc1	BindingDB_PC-id_145713295,BindingDB-id_722722,PC-id_145713295	518.091	SPGIVZNWAZQOSZ-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158014
CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)cc1	BindingDB-id_722820,BindingDB_PC-id_87056523,SCHEMBL16224798	518.091	BLHWPPPDDZOVIA-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158015
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)Cl)Cl	PC-id_146685083	518.185	PMTIREMLHJSVCN-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158016
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC(=C5)Cl)Cl	PC-id_150655359	518.185	JCSTXRSTBTVMOU-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158017
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)Cl)Cl	PC-id_152449432	518.185	XTDPFTZWJVTMFX-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158018
C/C=C(C=C
/N(CCO1)N)/C(C)CC2COC3=C2N=C(O3)C(C)CC4COC5=C4N=C(S5)C(C)S	PC-id_155170597	518.202	BHWDLDIFPCMSAB-MAFSAQNYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-158019
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC=C5C(F)(F)F	PC-id_152316539	518.25	WSMNTOQUXOVPRZ-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158020
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)C(F)F)F	PC-id_152381775	518.25	XFOBSDDXWJYMJO-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158021
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)C(F)F)F	PC-id_152391801	518.25	XHOKRCKCVBGUKT-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158022
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)F)C(F)F	PC-id_147990692	518.25	IUZXQJKTDTUDRN-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158023
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCN6CCO[C@H]7C6(C7)C5)C	PC-id_153600294	518.301	HKSKKRSTQCOJLQ-MIJJZIGMSA-N	00100010100010110001100010000000000000000000000000000000	25-01-158024
CCCCCCCCN1C(=O)c2c(C1=O)c(n(c2Br)CCCCCCCC)Br	PC-id_102529434	518.326	ADIISAOXRBESGC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158025
CCCC[Sn](c1cc2c(s1)C(=O)N(C2)Cc1ccccc1)(CCCC)CCCC	PC-id_140122529	518.333	OTLDJBWETSQDLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158026
CCCC[Sn](c1sc2c(c1)C(=O)N(C2)Cc1ccccc1)(CCCC)CCCC	PC-id_140122543	518.333	MGYROWCNMZPGDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158027
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(n[nH]c4=O)CC3)C(=O)OC)cc2)c(Cl)ccc1	SCHEMBL4508953,PC-id_69072445	518.349	VXDRDDSHQPBTNP-BHWOMJMDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158028
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(n[nH]c4=O)CC3)C(=O)OC)cc2)c(Cl)ccc1	SCHEMBL4508948,PC-id_69072444	518.349	VXDRDDSHQPBTNP-IRXDYDNUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158029
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(n[nH]c4=O)CC3)C(=O)OC)cc2)c(Cl)ccc1	PC-id_77598662	518.349	VXDRDDSHQPBTNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158030
Ic1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cccc1	PC-id_44053409	518.371	HKBMJESAVDUOFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158031
COc1ccc(CCc2nc3s/c(=Cc4cc(Br)c(O)c(OC)c4)/c(=O)n3n2)cc1OC	EMOLS-id_324890636	518.38	KAJGTACKWUWSIB-WQRHYEAKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158032
COc1ccc(OCCCc2nc3s/c(=Cc4cc(Br)c(O)c(OC)c4)/c(=O)n3n2)cc1	EMOLS-id_324891139	518.38	NOCLADMYNRIXHL-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158033
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)CCc1ccc(c(OC)c1)OC	MCULE-4118460994	518.38	KAJGTACKWUWSIB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158034
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)O)c2=O)CCCOc1ccc(OC)cc1	MCULE-9878192125	518.38	NOCLADMYNRIXHL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158035
CC1=Cc2c(C1S(C1C(=Cc3c1sc(c3Br)C)C)(C)C)sc(c2Br)C	PC-id_117742065,SCHEMBL16297469	518.392	KUXZFNAJAIZMRH-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-158036
Clc1cc(NC2CCN(CC2)c2ccc(cc2)OC[C@]2(C)Oc3n(C2)cc(n3)[N+](=O)[O-])cc(c1)Cl	SCHEMBL2092364,PC-id_5278886	518.392	SEFMAEBHMRYUNG-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-158037
Clc1cc(NC2CCN(CC2)c2ccc(cc2)OCC2(C)Oc3n(C2)cc(n3)[N+](=O)[O-])cc(c1)Cl	SCHEMBL2092366,PC-id_67274924	518.392	SEFMAEBHMRYUNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158038
Clc1cc(NC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	PC-id_67275678,SCHEMBL2096357	518.392	XRZCVWODSNBINR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158039
Clc1cc(NC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	SCHEMBL2096354,PC-id_5278891	518.392	XRZCVWODSNBINR-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-158040
Clc1c(NC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(Cl)c1	PC-id_5278858	518.392	FPVSZJZJKWLWIA-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-158041
Clc1c(NC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(Cl)c1	PC-id_78381706	518.392	FPVSZJZJKWLWIA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158042
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(COC1)C(F)(F)F)F)C(=O)Nc1c(c(ncc1)C(C)F)F	PC-id_134599103,SCHEMBL20253010	518.409	FOTADFUVZHAHTN-RRKGBCIJSA-N	00001010100000101000000010000000000000000000000000000000	25-01-158043
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(=O)NCc2occc2)C1	PC-id_44053294	518.432	ZCWGLBZZZMFFPU-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-158044
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18848766,MCULE-6122719681	518.455	SMGIYRBRBIVELO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158045
Cc1c(cc(cc1F)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C)F	SCHEMBL20252913,PC-id_134599012	518.463	WAESOVDEUIYMLW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158046
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cn(C)nn1	SCHEMBL21378252,BindingDB-id_980709,PC-id_139507392	518.463	GHXYJGINSSMRRD-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158047
C[C@]1(COc2ccc(N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	PC-id_6483583,SCHEMBL5540814,CHEMBL218973	518.485	DMAIXEPFPJEFMX-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-158048
FC(F)(F)c1ccc(OC2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_10098105,SCHEMBL5544729	518.485	DMAIXEPFPJEFMX-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158049
FC(F)(F)c1ccc(OC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_10459260,SCHEMBL5540819	518.485	DMAIXEPFPJEFMX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158050
FC(F)(F)c1ccc(OCC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_11237674,SCHEMBL1042309	518.485	CJBNRVDQVXTSTD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158051
FC(F)(F)c1ccc(OCC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_11455140,SCHEMBL1044926	518.485	CJBNRVDQVXTSTD-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158052
FC(F)(F)c1ccc(OCC2CCN(CC2)c2ccc(OC[C@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1042310,PC-id_11260885	518.485	CJBNRVDQVXTSTD-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158053
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1043287,PC-id_11375794	518.485	ZZIGARXVURNMQZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158054
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_5278898,SCHEMBL1043286	518.485	ZZIGARXVURNMQZ-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158055
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ccc(OC[C@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1047689,PC-id_11306913	518.485	ZZIGARXVURNMQZ-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158056
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274967,SCHEMBL2092648	518.485	NPDWDHBBFZLBCQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158057
FC(OC)(C1CCN(CC1)c1ccc(OCC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1)c1c(F)cc(F)cc1	PC-id_46181074	518.485	ZIOCRMSKCCYNHF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158058
F[C@](OC)(C1CCN(CC1)c1ccc(OCC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1)c1c(F)cc(F)cc1	PC-id_46181075	518.485	ZIOCRMSKCCYNHF-KUXBLMNESA-N	00000010100010110001100010000000000000000000000000000000	25-01-158059
OCCOc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740140	518.485	OFTNESNCUHCKNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158060
OCCOc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740136	518.485	OFTNESNCUHCKNR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158061
[O-][N+](=O)[C@H]1[C@@H](COc2ccc(cc2)N2CCC(CC2)COc2ccc(cc2)C(F)(F)F)Oc2n1ccn2	PC-id_118293737,SCHEMBL16991106	518.485	BPHZMTFMXBBUSD-PKTZIBPZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158062
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCCF	PC-id_135360583,SCHEMBL20538938	518.503	WXIJTCHDTIVNKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158063
FCCCc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740068	518.503	VLTAINUTAKXCHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158064
FCCCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758765	518.503	WXIJTCHDTIVNKW-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158065
FCCCc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758787	518.503	VLTAINUTAKXCHW-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158066
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(C)cccc1Br	PC-id_140882911	518.522	MFPUXJLVHVKOTN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158067
s1c2CCC(c2nc1NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_16947316	518.526	MXDFDBWNGIBRAL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158068
CNCC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1374632,PC-id_57749849	518.536	BJWSYDYNRBQKSF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158069
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1C(=O)N)N(C)C	SCHEMBL4285829,PC-id_68987104	518.536	VNKLLOCGHMYFSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158070
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)Cc2ccco2)sc2CCCc2c1C#N	MCULE-5675141013,EMOLS-id_332715080	518.559	BIIRJPVVINERHE-UHFFFAOYSA-N	00000010101000111000000010000000000000000000000000000000	25-01-158071
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_332715336,MCULE-9650877523	518.559	GGYSRJODPBUTGT-UHFFFAOYSA-N	00000010101000111000000010000000000000000000000000000000	25-01-158072
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O)c1ccccc1	SCHEMBL4324908,PC-id_69003638	518.564	HZWFUVMVQKGLSI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158073
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O)c1ccccc1	SCHEMBL4324894,PC-id_69003630	518.564	HZWFUVMVQKGLSI-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158074
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCC(C1)Nc1nn(c2c1CNC2(C)C)C(=O)OCc1ccccc1	PC-id_121438559,SCHEMBL17872159	518.564	HYVGKERLUABSQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158075
s1c2c(CCC2)c(c1Nc1nc(NCCc2ccc(S(=O)(=O)N)cc2)nc(N)c1[N+](=O)[O-])C(=O)N	PC-id_52127561	518.569	URTDGJQBPMWLSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158076
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)[O-]	PC-id_75298813	518.569	QEKRERFHCONMSR-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158077
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)[O-]	PC-id_49833156	518.569	QEKRERFHCONMSR-RDTXWAMCSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158078
CC/C=C(/CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)CC)C=C(C(F)(F)F)/C	PC-id_145296927	518.571	BOECCBMGQUWAJL-MXBVLUNTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158079
COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408604052	518.578	GZGDCMXPOGVBGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158080
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)CC(C(=O)O)N(C)C)(C(=O)NO)S(=O)(=O)C	PC-id_135365410	518.583	WOMXGTQUWAFQKA-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-158081
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H](N(C1)C1COC1)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484926,PC-id_135315444	518.583	FQNVFUZUSVGAJE-MFSJNOQSSA-N	00001010100000000001100010000000000000000000000000000000	25-01-158082
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H](N(C1)C1COC1)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484928,PC-id_135315446	518.583	FQNVFUZUSVGAJE-KMDCXYLXSA-N	00001010100000000001100010000000000000000000000000000000	25-01-158083
C[C@H](C(=O)O)N(C)CC1(CC1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	PC-id_135365408	518.583	JCUYHRVPCPNOEZ-LIXIDFRTSA-N	00100010100000000001000010000000000000000000000000000000	25-01-158084
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(COC(=O)CN(C)C)CC1)C	SCHEMBL18729945,PC-id_118368864	518.583	XKJHNCVMKGRKDL-HSZRJFAPSA-N	00100010100000000001000010000000000000000000000000000000	25-01-158085
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(O)CCN(CC1)C1COC1)C	SCHEMBL18587399	518.583	CPFVJXBFSWZGQP-HSZRJFAPSA-N	00001010100010000001100010000000000000000000000000000000	25-01-158086
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(O)CCN(CC1)C1COC1)C	SCHEMBL20484929	518.583	CPFVJXBFSWZGQP-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-158087
c1(NC(=O)COc2nonc2C(=O)N2CCN(CC2)CC=Cc2ccccc2)sc2CCCc2c1C#N	MCULE-2308036868	518.587	UHGNYNFQTKMKKG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158088
O=C(COc1nonc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1)Nc1sc2CCCc2c1C#N	EMOLS-id_333660620	518.587	UHGNYNFQTKMKKG-VMPITWQZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158089
CON=C(C(=O)NC1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1cc2c(n1C)CCC2)c1csc(n1)N	PC-id_141556888	518.589	IUDHRLDGJXTWMK-XCWJXAQQSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158090
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2CCCc2c1C#N	EMOLS-id_333773396,MCULE-5136507025	518.606	URAQCKXMARTMCV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158091
CC(C)C1c2c(CN1Cc1nc(co1)C(=O)OC)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170960,SCHEMBL19772133	518.606	XRBTXCLGIBPGFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158092
CCC(C(C(=O)C(=O)N1CC(C1)C(=O)NCc1n[nH]c2c1CCC2)NC(=O)C(NC(=O)O)CC(C)C)C	SCHEMBL20816597,PC-id_138470504	518.606	DAFHCCLSRFNVCZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-158093
CC[C@@H](C(C(=O)C(=O)N1CC(C1)C(=O)NCc1n[nH]c2c1CCC2)NC(=O)[C@@H](NC(=O)O)CC(C)C)C	SCHEMBL20816959,PC-id_138470866	518.606	DAFHCCLSRFNVCZ-KEXXGOCASA-N	00001010100000000001000010000000000000000000000000000000	25-01-158094
COC(=O)c1coc(n1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18378905	518.606	XRBTXCLGIBPGFG-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158095
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)C)C(=O)OC	PC-id_17301862	518.606	MCYAPTLNRAEYKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158096
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-9519105500,EMOLS-id_331790263	518.607	CIPFHKPZADXOQV-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-158097
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_331923481,MCULE-1759290054	518.627	YKNXTICKZLQJNX-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-158115
O/C=CC(=Nc1cc(cn(c1=O)C)c1ccnc(c1CO)N(CCn1c(C)cc2c1CC(C2)(C)C)C=O)N	PC-id_138649390,SCHEMBL21017730	518.607	LXOLIYSVPYVMQV-POHAHGRESA-N	00000010100000101000100010000000000000000000000000000000	25-01-158098
CN(CC1CCn2c1ccc2Cc1ccccc1)CCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F	PC-id_53373000,SCHEMBL12457095	518.612	RJZSGRDPXGZPAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158099
CN(CC1CCn2c1ccc2Cc1ccccc1)CC[C@@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F	PC-id_53354796,SCHEMBL12457097	518.612	RJZSGRDPXGZPAX-VXPBITRUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158100
CN(CC1CCn2c1ccc2Cc1ccccc1)CC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F	SCHEMBL12457088,PC-id_53373001	518.612	RJZSGRDPXGZPAX-VALFACCDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158101
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC)C(=O)OCC	PC-id_19640510	518.624	AVFYZVBVLOEBDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158102
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CCCO)sc2CCCc2c1C#N	MCULE-6638983299,EMOLS-id_331929364	518.626	OMXVLUWEKJPLHN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158103
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CC(C)O)sc2CCCc2c1C#N	MCULE-7038510063,EMOLS-id_331926558	518.626	ZSRAFQXDGBYOFV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158104
c1(NC(=O)COc2cn(c(cc2=O)CN(CCOC)CCOC)CCOC)sc2CCCc2c1C#N	EMOLS-id_331920664,MCULE-5891030031	518.626	BTCLANQOLMZZGW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158105
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_331930390,MCULE-3159580150	518.626	FYIWUAPNFAJYSE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158106
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCCOCC)sc2CCCc2c1C#N	MCULE-3320514386,EMOLS-id_331921434	518.626	KMECFMFAKOIDRG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158107
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(OCC)c(OCC)c(OCC)c1	PC-id_44053144	518.626	KILYNENBDOHFSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158108
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331928607,MCULE-2553566425	518.627	DVBRFAPUFAMBMN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158109
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331932434,MCULE-4873028378	518.627	SOZBLZOYBMXXKE-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-158110
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331925521,MCULE-9203707241	518.627	BUDGJQUBCYBPDG-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-158111
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCc2ccc(C)cc2)sc2CCCc2c1C#N	MCULE-2498369778,EMOLS-id_331925528	518.627	VBZKBKZUFQNKCS-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-158112
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-2794705784,EMOLS-id_331931667	518.627	XZYMGZFHGUNRHT-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-158113
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccccc2C)sc2CCCc2c1C#N	MCULE-6650954224,EMOLS-id_331926298	518.627	GRMZHICTSWQVTH-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-158114
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-1013216363,EMOLS-id_331921435	518.627	DQCQHFQMLWBNPY-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-158116
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CC2CCCO2)sc2CCCc2c1C#N	MCULE-2080193472,EMOLS-id_332713295	518.627	XEKXMHCSAWOHJC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158117
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CC2CCCO2)sc2CCCc2c1C#N	MCULE-2181604610,EMOLS-id_332714560	518.627	IFEKGMLVOLKEOA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158118
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_332714304,MCULE-1189908186	518.627	SQKBVHZKKYRYRL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158119
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)Cc2ccccc2)CC=C)sc2CCCc2c1C#N	EMOLS-id_331927059,MCULE-4289417303	518.627	YMELUTKMUJXEOI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158120
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(OC)cc2)nn1)C(=O)OCC	PC-id_24134476	518.629	FRZLTEYIRNAVML-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158121
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(OC)ccc2)nn1)C(=O)OCC	PC-id_24044522	518.629	CVAUDIMKGBIKPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158122
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(OC)cccc2)nn1)C(=O)OCC	PC-id_24151846	518.629	SGNCGAMFAVPUAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158123
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)c2ccccn2)CC)sc2CCCc2c1C#N	EMOLS-id_331925527,MCULE-7513460287	518.63	IOAINZXYEFPDCW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-158124
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)Cc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_331930394,MCULE-5930674945	518.63	LUSFDANSFMOCPJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158125
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_331920414,MCULE-1546724293	518.63	LEMUGMPJJWFYAL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158126
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-3071482983,EMOLS-id_331926553	518.63	UUGMFVUMBVENMG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158127
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331927067,MCULE-7348325328	518.63	XHEOTYDEKYQIHL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158128
Fc1c(N2CC[NH+](CC2)Cc2cc(OCC3CCCN(C3)C(=O)c3n[nH]c4c3CCC4)ccc2)cccc1	PC-id_74807573	518.645	OFBBDFNCCWFHBG-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-158129
Fc1c(N2CC[NH+](CC2)Cc2cc(OC[C@@H]3CCCN(C3)C(=O)c3n[nH]c4c3CCC4)ccc2)cccc1	PC-id_42483794	518.645	OFBBDFNCCWFHBG-HSZRJFAPSA-O	00000010100010110001100010000000000000000000000000000000	25-01-158130
Fc1c(N2CC[NH+](CC2)Cc2cc(OC[C@H]3CCCN(C3)C(=O)c3n[nH]c4c3CCC4)ccc2)cccc1	PC-id_42483796	518.645	OFBBDFNCCWFHBG-QHCPKHFHSA-O	00000010100010110001100010000000000000000000000000000000	25-01-158131
s1c2c(CCC2)c(c1NC(=O)CCCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C(=O)OCC	PC-id_3362917	518.645	CXTGWVQFOHKEBH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158132
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCN2CCOCC2)sc2CCCc2c1C#N	EMOLS-id_331790772,MCULE-9100292798	518.649	NSIMPAUKLYYKAJ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158133
NC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)sc2c1CCC2	CoCoCo_3218552,PC-id_2121070,MCULE-5020371537,EMOLS-id_43812098,ZINC22_2657314	518.649	HFIFYWPACZUPCD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158134
O=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2)NC1CCC(CC1)(C)C	SCHEMBL11233917,PC-id_70543931	518.649	CVKOYQLEKGQTJJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-158135
O=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2)NC1CCCCCCC1	SCHEMBL11236828,PC-id_56607773	518.649	MGALHDQAAYXODC-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-158136
c1(NC(=O)C(=Cc2ccc(cc2)OC(C)C)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3790763929	518.667	OCEIFFDBIYKJQM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158137
COCCCNC(=O)c1c(NC(=O)/C(=C/c2ccc(OC(C)C)cc2)/c2ccccc2)sc2CCCc12	EMOLS-id_334386197	518.667	OCEIFFDBIYKJQM-NCELDCMTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158138
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CCCC)sc2CCCc2c1C#N	EMOLS-id_332710734,MCULE-1610705582	518.67	AYCMPQONRCXDKE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158139
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CCCC)CCC)sc2CCCc2c1C#N	EMOLS-id_332711750,MCULE-8354714843	518.67	HMZZMVGSHRKBED-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158140
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)C(C)(C)C)CCC)sc2CCCc2c1C#N	EMOLS-id_332712775,MCULE-6562906471	518.67	AMDHQVZDJQONBS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158141
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332714057,MCULE-5279062500	518.67	SQMKFEXAEWEOAO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158142
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332715337,MCULE-9584836516	518.67	IDUHABQJFZHRDO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158143
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332720449,MCULE-9796224502	518.67	MVPBBAOVAKFDJR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158144
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_332721216,MCULE-2146264636	518.67	PPORDESHQDQKTM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158145
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCCCCC)sc2CCCc2c1C#N	MCULE-2006193136,EMOLS-id_332719936	518.67	DAQIGPIEHUVXGB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158146
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C(C)(C)C)CCC)sc2CCCc2c1C#N	MCULE-2494496500,EMOLS-id_332710471	518.67	WEWFVXLAOQSAMH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158147
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CC(C)C)sc2CCCc2c1C#N	MCULE-4776382825,EMOLS-id_332711754	518.67	VDWRIFNBVQLTJW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158148
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCC(C)C)sc2CCCc2c1C#N	MCULE-6545147075,EMOLS-id_332719169	518.67	FDZUGJPBCJTKDF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158149
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332715849,MCULE-4947174398	518.67	NOOREZXDHGNKGS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158150
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332716105,MCULE-4578943995	518.67	ZCZYRCCULHPAEF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158151
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332720705,MCULE-3423501507	518.67	LERCROIACHMHMQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158152
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_332720960,MCULE-5962729786	518.67	RSNNDVQCHNRWNM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158153
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332720961,MCULE-9689944889	518.67	TZUWKGOMVOKFSX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158154
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332721217,MCULE-8848299479	518.67	GBPUWIRLKNOFGZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158155
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCCCC)sc2CCCc2c1C#N	MCULE-2852301280,EMOLS-id_332715593	518.67	WNLUFRZMZAYWQW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158156
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332716872,MCULE-1936351373	518.67	ZYYCFWSARFDFKE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158157
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332721984,MCULE-9246200006	518.67	MGEOCNFFBDBOKQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158158
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCC(C)C)sc2CCCc2c1C#N	MCULE-1124877124,EMOLS-id_332718401	518.67	PNLBPQGKRQFSFX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158159
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCCCC)sc2CCCc2c1C#N	MCULE-5973254621,EMOLS-id_332717384	518.67	PWMZBVNHTOYSJK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158160
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332709961,MCULE-9129281697	518.67	KUBOPMCXIWESGA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158161
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CCCC)sc2CCCc2c1C#N	EMOLS-id_332713036,MCULE-9654956224	518.67	HSOBKJYODFDZQA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158162
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCCCC)sc2CCCc2c1C#N	MCULE-1004232548,EMOLS-id_331928849	518.67	MZUJWOBFHRRVDK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158163
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCC(C)C)sc2CCCc2c1C#N	MCULE-9408845071,EMOLS-id_331932948	518.67	BDOAXEIEIAWLGO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158164
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccccc2C)sc2CCCc2c1C#N	EMOLS-id_331923483,MCULE-4305576400	518.67	KTDSOAICLFNMAU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158165
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-9073281942,EMOLS-id_331932947	518.67	DNKIPSDYFYKEMO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158166
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_331924761,MCULE-7793161313	518.67	YGYANWRUGYOASN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158167
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCc2ccc(C)cc2)sc2CCCc2c1C#N	EMOLS-id_331926040,MCULE-6159317670	518.67	FHBKHIFYGPFQBZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158168
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-3559338052,EMOLS-id_331927056	518.67	CSMJDMLRHYAIBS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158169
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCc2ccccc2)sc2CCCc2c1C#N	MCULE-4031906455,EMOLS-id_331922715	518.67	SRCKAOMQIPXDGH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158170
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)Cc2ccccc2)sc2CCCc2c1C#N	MCULE-9493243125,EMOLS-id_331924497	518.67	XDTVNDUGUZMQRG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158171
N#Cc1c(NC(=O)c2cc(ccc2NCCC[NH+](C)C)S(=O)(=O)N2CCOCC2)sc2c1CCC2	GD-id_ZINC13588571	518.672	YYWNHAAWIVOXHA-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-158172
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_19717477	518.672	FWQNHGUJBXKYLT-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-158173
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1sccc1)C(=O)OCC	PC-id_19725331	518.672	MSUZHXODOWDHHJ-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-158174
COc1ccc(cc1S(=O)(=O)/N=C/1NCCN1C(=S)SN1CCn2c1nsc2=S)OC	NSC736214,PC-id_24205596,CHEMBL211717	518.677	ZUVBXUZXIYLPAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158175
COc1ccc(S(=O)(=O)NC2=NCCN2C(=S)SN2CCn3c2nsc3=S)cc1OC	PC-id_24205515,NSC736070,CHEMBL384448	518.677	ZQRYRWIRCZCNTF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158176
COc1cc(OC)ccc1S(=O)(=O)/N=C/1NCCN1C(=S)SN1CCn2c1nsc2=S	PC-id_24205593,NSC736210	518.677	XKRGZZCDQRSONP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158177
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCN(CC)CC)sc2CCCc2c1C#N	MCULE-7007587140,EMOLS-id_331789241	518.692	UVFDMLFUTRFEGA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158178
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(CC)c(sc1)C)C(=O)OCC	PC-id_19721933	518.715	YJNRKDPBRWVHAI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-158179
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CCC)C(=O)OCC	PC-id_19719647	518.715	WHBJKGGZRVXSTH-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-158180
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CCC)C(=O)OCC	PC-id_19719803	518.715	BWFLIXLVBXBWCX-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-158181
s1c2c(CCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C(C)C)C(=O)OCC	PC-id_19720421	518.715	YDHWERNICSSNGI-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-158182
s1c2c(CCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C(C)C)C(=O)OCC	PC-id_19720577	518.715	NCFVDMNLLCJONM-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-158183
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CCC)C(=O)OCC	PC-id_17262453	518.715	VDIRVAIQCYZBLY-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-158184
CCN1CCC(CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367823	518.735	BPLOUTIVYKMKRX-VWLOTQADSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158185
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)Cl	SCHEMBL18758596	518.915	XBSKISWYPBRDAD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158186
CCC1(c2c(CC1(CC)CC)nc(n2Cc1ccc(cc1)Cl)C(C)(C)C)C(C(=O)O)(C(=O)O)C(=O)O	PC-id_67433609,SCHEMBL2508764	519.03	LNIAJHNIFNPLJU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158187
CCOC(=O)C(C1CCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)(C)C)(C(=O)OCC)C(=O)OCC	PC-id_58460146,SCHEMBL2508763	519.03	LXARNZNYERNPBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158188
CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)sc2c1CCC2	ZINC22_408614649	519.033	FXJNSQPNIDNKEG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158189
CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)sc2c1CCC2	ZINC22_408630911	519.033	XWPRDGOTWFONMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158190
CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)sc2c1CCC2	ZINC22_408616261	519.033	FMZOCNMSQFFARC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158191
CCOC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408619782	519.033	NJJIKVYPVIIUOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158192
CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408623841	519.033	ZSWMIDFMRSMKEQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158193
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408615010	519.033	KSTYZGDJLGBQFH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158194
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408628107	519.033	UDPLZHOMKBSKMN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158195
COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)sc2c1CCC2	ZINC22_408609598	519.033	PGVPZPZQIXSTAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158196
COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)sc2c1CCC2	ZINC22_408616298	519.033	FYEFPZCZSWNMMX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158197
COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)sc2c1CCC2	ZINC22_408615040	519.033	LEDXIBVWMUFHGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158198
COC(=O)c1c(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408629906	519.033	KDAJECUPTJLGDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158199
COC(=O)c1c(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408629768	519.033	HPYPAKASAMLNMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158200
COC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408614273	519.033	AKKIRUGMRDXMSP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158201
COC(=O)c1c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408602170	519.033	CMPGOVDVYAUBMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158202
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408625416	519.033	UVWUSERLOGTERV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158203
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408613689	519.033	XLGDHRGCPBMJDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158205
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408630370	519.033	SNQVLKHVJXCATG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158206
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408613174	519.033	VSTCRWLEFMWYRI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158207
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408629674	519.033	GAEIALARQKQZGP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158208
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CC)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4529009053,PC-id_18880058	519.036	SFPVNGHHOVZJOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158209
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)c(OC)cc1	PC-id_19731694	519.036	CJVYNSGNARRMAJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158210
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_20121781	519.036	UTTVOLZPHFSESZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158211
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cccc1	PC-id_19632006	519.036	LEACSKFFLFQTGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158212
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc(C)c1c1ccc(Cl)cc1	EMOLS-id_328223351,MCULE-3550559572	519.054	KACYIIICMCYUQW-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-158213
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)NC	PC-id_87056522,SCHEMBL19772145	519.079	NDXHFODWMYJUSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158214
CC(C)[C@@H]1N(Cc2ccc(Cl)c(C)n2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB-id_722785,PC-id_145713350,BindingDB_PC-id_145713350	519.079	AKWOFQSNPRGBAY-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158215
CC[C@H](C)C1N(Cc2ccc(Cl)cn2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB-id_722818,PC-id_145713371,BindingDB_PC-id_145713371	519.079	IOWDDRHIEMPMAP-NGMICRHFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158216
C[C@@H](c1ncc(cc1)Cl)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134171003,SCHEMBL19772183	519.079	KMDUMELRZSIVIS-NGMICRHFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158217
C[C@H](c1ncc(cc1)Cl)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772008,PC-id_134170839	519.079	KMDUMELRZSIVIS-NKTHEXPSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158218
C[C@@H](c1ncc(cc1)Cl)N1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134167001,SCHEMBL19767341	519.079	KMDUMELRZSIVIS-WNSKOXEYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158219
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)nc1	SCHEMBL16224792,BindingDB-id_722799,BindingDB_PC-id_87056439	519.079	VMTOMXYJZJSMDD-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158220
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cn4)Cc3s2)cc1	PC-id_145713304,BindingDB-id_722730,BindingDB_PC-id_145713304	519.079	PHPIJPSWAJQKNQ-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158221
CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)nc1	SCHEMBL16224814,BindingDB_PC-id_87056525,BindingDB-id_722829	519.079	BKVROOBZYCCQLT-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158222
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)Cl	SCHEMBL19772001,PC-id_134170832	519.079	VMTOMXYJZJSMDD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158223
CCS(=O)(=O)c1cnc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)Cl	PC-id_87056525	519.079	BKVROOBZYCCQLT-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158224
CNS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl	SCHEMBL16224757	519.079	NDXHFODWMYJUSI-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158225
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)[C@@H](c1ccc(cn1)Cl)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368020	519.079	KMDUMELRZSIVIS-CMJOXMDJSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158226
C1CC(=C(C=C1)C(C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=NN(C=C4)CC(F)(F)F)OCCO)F	PC-id_164872063	519.12	JFFGNGAJNXKZIG-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-158227
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3CC[C@H](N3C(=C2C)C(=O)NC4=CC(=C(C=C4)C)Cl)C	PC-id_160554778	519.174	XYYGQMFARKBUDF-CQSZACIVSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158228
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3CC[C@@H](N3C(=C2C)C(=O)NC4=CC(=C(C=C4)C)Cl)C	PC-id_160554780	519.174	XYYGQMFARKBUDF-AWEZNQCLSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158229
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3CCC(N3C(=C2C)C(=O)NC4=CC(=C(C=C4)C)Cl)C	PC-id_160554779	519.174	XYYGQMFARKBUDF-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158230
CC1CCC(N1S(=O)(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278709	519.195	XDEUOOPBDSFTTQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158231
CC(C)(C)OC(=O)N1CCC(CC1)(COS(=O)(=O)C)C(C2=NN(C3=C2CCC3)CC4=CC=CC=C4)O	PC-id_165387982	519.24	SHDQPHCAPABGKP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158232
CCN1C2=C(CN(C2(C)C)C(=O)NC(CN(C)C)C3=CC=CC=C3)C(=N1)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_164941715	519.259	YHQJYZBIUAUSGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158233
CCCC[Sn](c1sc2c(c1)C(=O)N(C2)Cc1cccnc1)(CCCC)CCCC	PC-id_140122541	519.321	FBWLZNMVYTWTNQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158234
CCCC[Sn](c1sc2c(c1)C(=O)N(C2)Cc1ccncc1)(CCCC)CCCC	PC-id_140122523	519.321	KIZZYYUAWWJYOH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158235
CC(C)[C@@H](CC(C)(C)O)NC(=O)N1CC2=C(N(N=C2C1(C)C)C(=O)C)NC(=O)C3(CCC3)[Si](C)(C)C	PC-id_146917437	519.324	ACMVIUAUQKGMRG-LJQANCHMSA-N	00001010100000000001000010000000000000000000000000000000	25-01-158236
s1c2c(CCC2)c(c1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(=O)OCC	PC-id_5142387	519.33	CXENBXDSJLDSNJ-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-158237
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(n[nH]c4=O)CC3)C(=O)OC)cc2)c(Cl)cnc1	SCHEMBL4521768,PC-id_69077617	519.337	MQQJVOHFNWPUKF-VYRBHSGPSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158238
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(n[nH]c4=O)CC3)C(=O)OC)cc2)c(Cl)cnc1	PC-id_69077614,SCHEMBL4521764	519.337	MQQJVOHFNWPUKF-HOTGVXAUSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158239
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(n[nH]c4=O)CC3)C(=O)OC)cc2)c(Cl)cnc1	PC-id_77599415	519.337	MQQJVOHFNWPUKF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158240
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)n1nnnc1Oc1ccc(cc1)OC(F)(F)F	SCHEMBL16618354,PC-id_117993961	519.39	SPPLQXJWNRJPIR-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158241
c1(NC(=S)NC(=O)c2ccc(cc2)Cn2cc(cn2)Br)sc2c(CCC2)c1C(=O)OC	SPECS-id_AK-968/41025091,ZINC22_650115,GD-id_ZINC00650115,EMOLS-id_4181055,CoCoCo_5837723,MCULE-5228022571,PC-id_996451,TIMTEC506518	519.435	VOTJQTHXEGMGTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158242
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccnc(c1)C(F)F	PC-id_134285242,SCHEMBL19900957,BindingDB-id_799361	519.452	HXJQSAQAQAPTAI-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-158243
FC(c1nccc(c1)NC(=O)c1c(C)cc2n1CC(C2)C(=O)C(=O)NC1(CC(C1)(F)F)c1cn[nH]n1)F	PC-id_141757322	519.452	XWUZEHPFYOANPS-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-158244
FC1=CC=C(C(=C(C1)F)C(F)(F)F)C1CCN(CC1)C(=O)c1n[nH]c2c1CN(C2)C(=O)c1ccncc1	PC-id_144955024	519.466	XJUFGPCGGWMROR-UHFFFAOYSA-N	00000010100010101111100010000000000000000000000000000000	25-01-158245
FC(F)(F)Oc1ccc(Oc2ccc(N3CCN(C[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)cc2)cc1	PC-id_69481366,SCHEMBL14562732	519.473	CZGKXXFIZVHDEC-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158246
FC(F)(F)Oc1ccc(Oc2ccc(N3CCN(CC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)cc2)cc1	SCHEMBL14562733,PC-id_23081508	519.473	CZGKXXFIZVHDEC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158247
Brc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)c2C)C)cc1	PC-id_19679247	519.478	HJAAMJYCKOUSCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158248
Brc1c(n(nc1C)Cc1cc(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc1)C	PC-id_20171387	519.478	ZJWHLMCBDOWOBO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158249
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(F)(F)F	PC-id_89238830,SCHEMBL14057649	519.493	IPJBDHGAXVDALS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158250
COC(=O)c1c(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)sc2c1CCC2	CoCoCo_2973983,EMOLS-id_43739782,PC-id_2372704,MCULE-9982907156,ZINC22_3256054	519.493	JRYVAVRBCIBIPU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158251
NC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2	CoCoCo_2816219,ZINC22_2637791,PC-id_2100559,EMOLS-id_43688488,MCULE-4138737426	519.515	MMLPMOGRTMXEEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158252
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1N)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373008,PC-id_67009744	519.521	ZODXRKWQXLSCLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158253
O=C=C1N(Cc2ccc(cc2)OC)c2c(N1Cc1ccc(cc1)OC)c(=C=O)n(c2=C=O)Cc1ccccc1	PC-id_141091499	519.547	PNXBXUHGJCSAER-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158254
C=CC(OC(F)(F)F)C=C/C=C(/OC1CCN(CC1)c1ccc(cc1)O[C@H](C1Oc2n(C1)ccn2)C)C	SCHEMBL18823196	519.556	AKCJTBIHLOENON-VXOMOJTKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158255
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)CCNC(=O)c1ncc[nH]c1=O	PC-id_67183707,SCHEMBL1845676	519.556	UDOODXMCOIROFC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158256
O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)CCNC(=O)C1N=CC=NC1=O	PC-id_77236588	519.556	KCVDCZKQWSSNBW-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-158257
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)[O-]	PC-id_75298867	519.557	XVISHBBTEKCXSS-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158258
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)[O-]	PC-id_49833330	519.557	XVISHBBTEKCXSS-SJKOYZFVSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158259
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OC	PC-id_19661596	519.569	NPZODNNEFZTTIX-MUFRIFMGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158260
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OC	PC-id_73636027	519.569	NPZODNNEFZTTIX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158261
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(cc2)C)cc1)C(=O)OCC	PC-id_19660881	519.569	JMMWOCLWEDBWDQ-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-158262
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2c(cccc2)C)cc1)C(=O)OCC	PC-id_19661270	519.569	TXOVSFZBHGXBFI-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-158263
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccc(cc2)C)cc1)C(=O)OCC	PC-id_73635330	519.569	JMMWOCLWEDBWDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158264
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2c(cccc2)C)cc1)C(=O)OCC	PC-id_73635708	519.569	TXOVSFZBHGXBFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158265
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2cc(ccc2)C)ccc1)C(=O)OCC	PC-id_4329997	519.569	AAGSXSOXMLJHNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158266
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2cc(ccc2)C)ccc1)C(=O)OCC	PC-id_9657882	519.569	AAGSXSOXMLJHNC-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-158267
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2c(cccc2)C)cccc1)C)C(=O)OC	PC-id_4536106	519.569	WFNCBHQBXDOFJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158268
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2ccc(cc2)C)cccc1)C)C(=O)OC	PC-id_5045404	519.569	AOMVTVDRRFMLBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158269
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2cc(ccc2)C)cccc1)C)C(=O)OC	PC-id_5108358	519.569	OPDGXCWSBMMIAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158270
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2cc(ccc2)C)cccc1)C)C(=O)OC	PC-id_9608174	519.569	OPDGXCWSBMMIAN-MUFRIFMGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158271
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2c(cccc2)C)cccc1)C)C(=O)OC	PC-id_9675987	519.569	WFNCBHQBXDOFJZ-MUFRIFMGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158272
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2ccc(cc2)C)cccc1)C)C(=O)OC	PC-id_9689685	519.569	AOMVTVDRRFMLBV-MUFRIFMGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158273
c1(NC(=O)C=Cc2cc(c(OC)c(Br)c2)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-2418083390	523.44	IZSCJAMGAYYJBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158792
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc(cc2)C)cccc1)C(=O)OCC	PC-id_19658355	519.569	BROPXQXGBGJBQQ-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-158274
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2c(cccc2)C)cccc1)C(=O)OCC	PC-id_19660331	519.569	VBLSZAAXVSUFBO-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-158275
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2cc(ccc2)C)cccc1)C(=O)OCC	PC-id_4455939	519.569	XHTYVAPQYNAERE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158276
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccc(cc2)C)cccc1)C(=O)OCC	PC-id_73632865	519.569	BROPXQXGBGJBQQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158277
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2c(cccc2)C)cccc1)C(=O)OCC	PC-id_73634790	519.569	VBLSZAAXVSUFBO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158278
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2cc(ccc2)C)cccc1)C(=O)OCC	PC-id_9671534	519.569	XHTYVAPQYNAERE-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-158279
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCOC(=O)N1CCN(CC1)C)C	SCHEMBL18588165	519.571	CKLUSXGTRPBMFW-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158280
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCOC(=O)N1CCN(CC1)C)C	SCHEMBL18588166	519.571	CKLUSXGTRPBMFW-HSZRJFAPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158281
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)O	PC-id_75298814	519.577	QEKRERFHCONMSR-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158282
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)O	PC-id_49833157	519.577	QEKRERFHCONMSR-RDTXWAMCSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158283
s1c2c(CCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_3444474	519.59	RYNHBIKJHNCELC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158284
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(cs1)c1ccccc1	PC-id_89237729,SCHEMBL14056375	519.592	HVGGPYPASZQRCS-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-158285
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(o1)c1ccccc1	PC-id_89237624,SCHEMBL14056260	519.592	ZMCHYNGADKHTOR-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-158286
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-7019552719,EMOLS-id_331788983	519.595	MALRYBHSHHVQGT-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-158287
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nc(nc(n1)N1CCCC1CO)OC)C	PC-id_89796597	519.599	HFNJKUOZOOZOFD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158288
COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(n1)N1CCC[C@H]1CO	BindingDB-id_218906,SCHEMBL12143729,BindingDB_PC-id_59474153,PC-id_59474153	519.599	HFNJKUOZOOZOFD-PZEDNMLSSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158289
OC[C@@H]1CCCN1c1nc(nc(n1)OC)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1	SCHEMBL1367973,PC-id_67007840	519.599	HFNJKUOZOOZOFD-MUYFXNHWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158290
OC[C@@H]1CCCN1c1nc(nc(n1)OC)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	PC-id_67007841,SCHEMBL1367974	519.599	HFNJKUOZOOZOFD-JENIJYKNSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158291
OC[C@@H]1CCCN1c1nc(nc(n1)OC)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	SCHEMBL15247488	519.599	HFNJKUOZOOZOFD-SCTDSRPQSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158292
CC(CCN1Cc2c(C1=O)sc(c2)C#Cc1ccc(cc1)CN1CC(C1)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678201,PC-id_137440902	519.609	XSBMPLVDJIUUQX-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158293
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2c(C1=O)sc(c2)C#Cc1ccc(cc1)CN1CC(C1)F)C	SCHEMBL20678199	519.609	XSBMPLVDJIUUQX-XMMPIXPASA-N	00001010100000110000000010000000000000000000000000000000	25-01-158294
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_19661556	519.612	UNVMWNALPDLNIG-UXHLAJHPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158295
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_73635987	519.612	UNVMWNALPDLNIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158296
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-3112949725,EMOLS-id_331929883	519.615	MRROKIQFDXMRFD-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-158297
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_331919903,MCULE-2908381243	519.615	RKGXTYIPZRPVQO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-158298
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331926042,MCULE-6498400653	519.615	QKIMDZZHAKAPQN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-158299
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_332716109,MCULE-6394085648	519.615	RXJANCAZNYHCBX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158300
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-4621392576,EMOLS-id_332717389	519.615	TZCTYLIQQPJBQM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158301
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)NC(=O)C)CCC)sc2CCCc2c1C#N	MCULE-3108122629,EMOLS-id_332713286	519.615	SVRMSBRCFMBMDY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158302
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)NC(=O)C)CCC)sc2CCCc2c1C#N	MCULE-4640598700,EMOLS-id_332711238	519.615	QMOOCKFLALUJAS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158303
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-8845917611,EMOLS-id_332717133	519.615	QBHHDLWTTVXXMD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158304
c1(NC(=O)COc2cn(c(cc2=O)CNc2c(C)ccc(NC(=O)C)c2)CC)sc2CCCc2c1C#N	MCULE-6743951260,EMOLS-id_332714054	519.615	OICWGRXUKRVVPE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158305
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(cc3)C)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053592	519.615	XETXLNSGSORUAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158306
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(OC)cc3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053881	519.615	HGUGSHBFCPUMOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158307
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(OC)ccc3)n(nc2C1)CC(=O)NCCc1ccccc1	PC-id_44053880	519.615	LLOHEEJOZGTOJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158308
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2)cc1)C(=O)OC	PC-id_20167571	519.617	UFFPCDNSRRYTHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158309
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)c2ncccn2)CC)sc2CCCc2c1C#N	MCULE-8460726220,EMOLS-id_331927319	519.619	DLSNGDDKGPGHOZ-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-158310
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1F)F	SCHEMBL18368062	519.627	SXDRISDAFVGIHA-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158311
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(c(c1)F)F	SCHEMBL18368068	519.627	IPUCSTSJANWIGS-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158312
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C1CCOCC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678247,PC-id_137440938	519.634	HVBXDKZONFIPQS-XMMPIXPASA-N	00001010100010000000100010000000000000000000000000000000	25-01-158313
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)C1CCOCC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678249,PC-id_137440940	519.634	HVBXDKZONFIPQS-UHFFFAOYSA-N	00001010100010000000100010000000000000000000000000000000	25-01-158314
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CNC1)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_137440946,SCHEMBL20678255	519.634	LWWCADXBUNFPPC-UHFFFAOYSA-N	00001010100010000000000010000000000000000000000000000000	25-01-158315
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CNC1)(C(=O)NOC1CCCCO1)S(=O)(=O)C	SCHEMBL20678253,PC-id_137440944	519.634	LWWCADXBUNFPPC-PIFIWZBESA-N	00001010100010000000000010000000000000000000000000000000	25-01-158316
CCCCN(c1ccc(c(c1)C)/C=c
/c(OC#CC#CC#CC#C)nn2c1nnc2/C=C(OC)/C)CCCC	SCHEMBL12601146	519.637	YHQHLXQDANOYKU-RITTWQJRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158317
O(c1nn2c(nnc2/C=C(OC)/C)c1=Cc1c(cc(N(CCCC)CCCC)cc1)C)C#CC#CC#CC#C	PC-id_57866891	519.637	YHQHLXQDANOYKU-FIFPEOCWSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158318
O(c1nn2c(nnc2C=C(OC)C)c1=Cc1c(cc(N(CCCC)CCCC)cc1)C)C#CC#CC#CC#C	PC-id_76646457	519.637	YHQHLXQDANOYKU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158319
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCC1OCCC1	PC-id_44053192	519.637	JHDNGXHRNDYYHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158320
COCCc1cc(ccc1CNC(=O)N1CC(C1)OC(C)(C)C)c1ccnc(n1)Nc1cnn2c1CCC2	SCHEMBL16794454,PC-id_118139778	519.638	XIZXWAASHUNMHO-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158321
N#Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_66738793,SCHEMBL596908	519.638	DLVMBYWPMLEBKK-MOPGFXCFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158322
N#Cc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_66739207,SCHEMBL598638	519.638	RQTATNOYCMDFCK-MOPGFXCFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158323
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ccc(cc4)C#N)c3C2)(C)C)C)CC1	PC-id_77182924	519.638	DLVMBYWPMLEBKK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158324
COCCCNC(=O)c1c(NC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)sc2CCCc12	EMOLS-id_334386199	523.44	IZSCJAMGAYYJBX-CMDGGOBGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158793
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4cc(ccc4)C#N)c3C2)(C)C)C)CC1	PC-id_77183053	519.638	RQTATNOYCMDFCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158325
CCn1ncc(c1)Nc1nc(cnc1C(=O)N)N1CCC[C@H]([C@H]1C)NC(=O)c1cc2c(n1C)CC(C2)(C)C	PC-id_140930399	519.642	QHLAREYZVGIZPV-VQIMIIECSA-N	00000010100010100001100010000000000000000000000000000000	25-01-158326
CCn1ncc(c1)Nc1nc(cnc1C(=O)N)N1C[C@@H](CC[C@@H]1C)NC(=O)c1cc2c(n1C)CC(C2)(C)C	PC-id_140930436	519.642	PKYVBCBKNSPYQD-FUHWJXTLSA-N	00000010100010100001100010000000000000000000000000000000	25-01-158327
n12nc(nc1sc(=Cc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8339482997	519.655	OQGBIFMQPJGYDN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158328
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332716620,MCULE-9251312024	519.658	PFVUGBYNDMCLNE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158329
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332717387,MCULE-4663068966	519.658	JCIKVAFDHJCQBV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158330
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332717900,MCULE-4187554925	519.658	PMZSAEXIKPNZDP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158331
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCCN(C)C)sc2CCCc2c1C#N	MCULE-6740374600,EMOLS-id_332716107	519.658	LRAMCGPSMAPWKZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158332
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCN(CC)CC)sc2CCCc2c1C#N	MCULE-6127188007,EMOLS-id_332716361	519.658	ZAXJVEPOEFWPOF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158333
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332710986,MCULE-9390907822	519.658	QKTYRSWKMSZNKB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158334
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(CC)CC)CC)sc2CCCc2c1C#N	MCULE-8218708078,EMOLS-id_332715589	519.658	RBBHDYPBGXXZID-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158335
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CCCC)sc2CCCc2c1C#N	MCULE-8944859103,EMOLS-id_332709966	519.658	BJDVWUSPKJKXJX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158336
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332714061,MCULE-7690470247	519.658	HHQATFWHILFAIH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158337
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332714317,MCULE-7618287129	519.658	PHWYQGONDHRFCZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158338
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332714573,MCULE-4564978434	519.658	IIPLHWUEUDKKAB-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158339
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332717131,MCULE-3369591829	519.658	QCILYQAZPLRYOQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158340
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCN(C)C)sc2CCCc2c1C#N	MCULE-1709167589,EMOLS-id_332715852	519.658	POIAOMNMRVFCFY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158341
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCN(C)C)sc2CCCc2c1C#N	MCULE-7350135414,EMOLS-id_332715340	519.658	SJCCIHHQYHCCII-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158342
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CCCC)sc2CCCc2c1C#N	EMOLS-id_332712269,MCULE-3171003145	519.658	HQALRJRKTREADA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158343
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332713289,MCULE-2619395944	519.658	DEXXAXLXSDXNOD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158344
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCN(C)C)sc2CCCc2c1C#N	MCULE-1200458377,EMOLS-id_331930904	519.658	DUHJEYSMGMRTDW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158345
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCc2ccncc2)CCC)sc2CCCc2c1C#N	MCULE-2174351587,EMOLS-id_331921939	519.658	DVMFXRWTKURIPL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158346
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)Cc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_331928859,MCULE-7253332381	519.658	NLOMMUCFXJQSSD-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158347
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)Cc2ccccn2)sc2CCCc2c1C#N	MCULE-4070826669,EMOLS-id_331931418	519.658	TVCTWONJHGURDV-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158348
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)Cc2cccnc2)sc2CCCc2c1C#N	EMOLS-id_331921438,MCULE-2145843212	519.658	VYZJRXDYPXTCHK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158349
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-3060557556,EMOLS-id_331922974	519.658	KADNSPNSOXUXFK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158350
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-1631656360,EMOLS-id_331925018	519.658	SSZXPZDPFXUAKL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158351
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)Cc2ccncc2)sc2CCCc2c1C#N	MCULE-5788778709,EMOLS-id_331923482	519.658	FSMTVKBCBUXACW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158352
FC(OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_140817153	519.659	LMVIUILARDEPQI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158353
FC(OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)F	PC-id_141630859	519.659	LMVIUILARDEPQI-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158354
OCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(F)F	PC-id_140817116	519.659	GKHFJQTZCTVTOD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158355
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_11051562,PC-id_4117080,MCULE-5532652404	519.66	GXXVJNPZZHFMMK-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-158356
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_27646564,CoCoCo_2662191	519.66	GXXVJNPZZHFMMK-LBPRGKRZSA-N	00000010100100000001000010000000000000000000000000000000	25-01-158357
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_41086990,CoCoCo_2662192	519.66	GXXVJNPZZHFMMK-GFCCVEGCSA-N	00000010100100000001000010000000000000000000000000000000	25-01-158358
CSc1ccccc1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_24947883,SCHEMBL1986540	519.662	HMJMAIYCVLNLOB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158359
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCCOCCCC)sc2CCCc2c1C#N	EMOLS-id_331788721,MCULE-6430020604	519.677	UKXVDFYMNDEPGG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158360
CNc1c(c2c(s1)CN(C2)CCCN(C)C)C(=NCCc1ccc(cc1)NC(=O)Nc1ccccc1)N	SCHEMBL763076,PC-id_136381357	519.705	GMSSYOSEOHBGSW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158361
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)OC	PC-id_134170707	519.72	MCFLNVIGKPRQED-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158362
CO[C@@H]1CC[C@H](CC1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL19771874	519.72	MCFLNVIGKPRQED-YYSPQECZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158363
CO[C@@H]1CC[C@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367921	519.72	MCFLNVIGKPRQED-RLSLOFABSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158364
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)CC	MCULE-1595226179	519.799	CCDHRRWCGUCYFT-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158365
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_105538113	519.822	XXXPRBGGSVUCHR-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158366
Brc1cc(C=Nc2sc3CCCc3c2C(=O)N)cc(OC)c1OCc1c(Cl)cccc1	PC-id_50886049	519.838	YQWHUTMWBFDBKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158367
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)c(Cl)cc1	PC-id_44053839	519.842	ANQCMYJARCRIFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158368
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)CC	MCULE-8840572206	519.981	NYEDHRVXLUNKSZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158369
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-5272294972	519.999	OJMSBYSKACPHFC-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158370
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-6736379585	519.999	ZDKMEHQGYZBCQP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158371
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-1200300301	519.999	DUYRVVRMYJOFQU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158372
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2ccccc2C)sc2c(CCC2)c1C(=O)OCC	PC-id_19119698,MCULE-1380274773	520.021	PSACDFFMGWLOPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158373
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-9418132807,PC-id_19119843	520.021	HQIDGTTUIGRFTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158374
Clc1ccc(c2oc(nc2)CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCCc2ccccc2)cc1	PC-id_52088476,GD-id_ZINC41021400	520.042	YREGZTZFYWUOPU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158375
CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=CSC(=C3C2=O)NC(=O)C)OC(F)(F)F	PC-id_160815521	520.059	SEVSUKSCTQGXDK-CYBMUJFWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158376
CCOC1=C(C=CC(=C1)[C@H](CS(=O)(=O)C)N2C(=O)C3=CSC(=C3C2=O)NC(=O)C)OC(F)(F)F	PC-id_160815522	520.059	SEVSUKSCTQGXDK-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158377
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl	SCHEMBL18368000	520.067	KCVZJBNTGYOBJH-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158378
CC1(CCC(CC1)CC(=O)O)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_164976781	520.158	YHWNFBCJXSYKCR-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-158379
C[C@@]1(CN2C=C(N=C2O1)NO)COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F	PC-id_155052529	520.193	CIYNRWWPEXDDNX-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-158380
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5Cl)F)F	PC-id_150993349	520.205	LSOQLHHILGRNRK-IYBDPMFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158381
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5)F)Cl)F	PC-id_151984702	520.205	UDKOTOXBHNAOPF-IYBDPMFKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158382
Clc1cc(CNC(=O)c2n(nc3C(CCc23)C)C)cc(Cl)c1OC(F)(F)C(F)OC(F)(F)F	SCHEMBL9410387,PC-id_53729935	520.253	CNEADDGAXCVWLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158383
CCCC[Sn](C1=Cn2c(S1=S(=O)=O)c(nc2)N(C)C)(CCCC)CCCC	SCHEMBL6894499,PC-id_69930464	520.331	CZSCVFHHAVMNKV-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-158384
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-1366193651	520.398	KWXQYYSUPHHJJG-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158385
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-3925890494	520.398	KPGZDDIPKMKZRA-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158386
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_10075352,SCHEMBL1045047	520.458	UCWWPISVZMWAJC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158387
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(OC[C@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_11756416,SCHEMBL1046584	520.458	UCWWPISVZMWAJC-NRFANRHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158388
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_9984164,SCHEMBL1045045	520.458	UCWWPISVZMWAJC-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158389
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CNC2Cc1cccc(c1)Br	PC-id_117688924,SCHEMBL16224758	520.462	YPIUQLHJZTWYSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158390
FCCOc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740381	520.476	CBFLNQBLUAOWPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158391
FCCOc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758474	520.476	CBFLNQBLUAOWPT-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158392
COc1ccc(cc1F)NC(=O)N1Cc2c([C@@H]1C(=O)Nc1ccc(cc1F)n1ccccc1=O)cnn2C	SCHEMBL4598076,PC-id_16042759	520.487	QEMQDIDBXGGUCF-XMMPIXPASA-N	00000010100000111001100010000000000000000000000000000000	25-01-158393
Fc1c(NC(=O)C2N(Cc3n(ncc23)C)C(=O)Nc2cc(F)c(OC)cc2)ccc(n2c(=O)cccc2)c1	PC-id_73225262	520.487	QEMQDIDBXGGUCF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-158394
FC(F)(c1nn2c(C(C(=C2CC(O)c2ccc(OC)cc2)C)(C)C)c1C(=O)c1ccccc1)C(F)(F)F	PC-id_16080297	520.491	OGGYSQOSNOSOGF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158395
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2NC(=O)C(F)(F)F)OC	SCHEMBL20579878,PC-id_137355421	520.499	TXGHQBHHUZGPJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158396
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C(F)(F)F)OC	PC-id_137355583,SCHEMBL20580067	520.499	LCVPDLONNRWBPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158397
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2NC(=O)C(F)(F)F)OC	PC-id_137355420,SCHEMBL20579877	520.499	TXGHQBHHUZGPJF-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158398
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C(F)(F)F)OC	PC-id_137355581,SCHEMBL20580065	520.499	LCVPDLONNRWBPU-GFCCVEGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158399
CCOc1cc(ccc1OC(F)(F)F)C(N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CS(=O)(=O)C	SCHEMBL750826,PC-id_66788644	520.499	SEVSUKSCTQGXDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158400
FC(F)(F)c1ccc(C2=CCN(C(=O)N3CCN(CC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)CC2)cc1	PC-id_69480538,SCHEMBL5539428	520.504	WFIOSPMAHUISJW-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-158401
FC(F)(F)c1ccc(C2=CCN(C(=O)N3CCN(C[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)CC3)CC2)cc1	SCHEMBL5539421,PC-id_69480536	520.504	WFIOSPMAHUISJW-QHCPKHFHSA-N	00000010100011110001100010000000000000000000000000000000	25-01-158402
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1[N+](=O)[O-])N(C)C	PC-id_68989236,SCHEMBL4290157	520.509	OVCRWXKLQFANPX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158403
O=C(c1cc(ccc1C(=O)N)n1cccc1C(=O)O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	SCHEMBL1373684,PC-id_67009995	520.517	TWCGXCFWLXAUQL-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-158404
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C	PC-id_140963669	520.537	HHTCKIYICYYADN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158405
C[C@@](CCN1Cc2cc(C#CC#CCOC(=O)N3CCC(O)CC3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	SCHEMBL18587826,CHEMBL4545569	520.555	KULLPTFZLIDHPA-HSZRJFAPSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158406
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CCOC(=O)N1CCC(CC1)O)C	SCHEMBL18587825	520.555	KULLPTFZLIDHPA-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158407
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)O	PC-id_75298868	520.565	XVISHBBTEKCXSS-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158408
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)O	PC-id_49833331	520.565	XVISHBBTEKCXSS-SJKOYZFVSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158409
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(CNC(C)C)cccc1F)(C)C)c1cc(F)cc(F)c1	PC-id_58524055	520.567	JSWGAMAEHKWHKQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158410
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)CC=C)C(=O)OC	PC-id_17307647	520.572	FYBMWDXJPYHGCO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158411
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CCN(CC1)C1COC1)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484914,PC-id_135315434	520.574	CEDKJBRYRKELSV-HSZRJFAPSA-N	00001010100010000001100010000000000000000000000000000000	25-01-158412
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CNC1)F)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315366,SCHEMBL20484826	520.574	SQLMGZWKGBGSLJ-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-158413
O=C([C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(F)CNC1)C)NOC1CCCCO1	SCHEMBL18588204	520.574	SQLMGZWKGBGSLJ-GWQXNCQPSA-N	00001010100010000001000010000000000000000000000000000000	25-01-158414
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(F)CCN(CC1)C1COC1)C	SCHEMBL20484917	520.574	CEDKJBRYRKELSV-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-158415
CCC(C1(C)CC=C(C=C1)OCc1onc(c1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])C	PC-id_144820502	520.577	JMHVVZVETWEPCN-ZWUCTTMISA-N	00000010100011110001100010000000000000000000000000000000	25-01-158416
s1c2CC(C(O)c2cc1C(=O)Nc1c(ccc(c1F)C1=C/C(=N/c2nn(c(c2)C)C)/C(=O)N=N1)C)(C)C	PC-id_75154225	520.579	MUMGDTORZDTRRR-QRQIAZFYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-158417
s1c2CC(C(O)c2cc1C(=O)Nc1c(c(ccc1F)C1=C/C(=N/c2nn(c(c2)C)C)/C(=O)N=N1)C)(C)C	PC-id_76817669	520.579	NPQKKNPGGHXKHC-VEILYXNESA-N	00000010100011110001100010000000000000000000000000000000	25-01-158418
s1c2CC(C(O)c2cc1C(=O)Nc1c(F)c(cc(c1)C)C1=CC(=Nc2nn(c(c2)C)C)C(=O)N=N1)(C)C	PC-id_77393943	520.579	REDXHQWVJRXLGF-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-158419
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(cc1)OCC	MCULE-3141419828	520.58	PDIFNFLJPSNHCO-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158420
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_331929625,MCULE-5103721211	520.598	LKVBTJRMKVYGNE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158421
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2cccs2)sc2c1CCC2	CoCoCo_3026451,MCULE-1813159999,PC-id_2086368,ZINC22_2624335,EMOLS-id_43759930	520.598	JDTPARPTVIUFPB-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-158422
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)Cc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331928863,MCULE-3089415266	520.6	BTYJJVQWNAWMMT-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-158423
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccc(O)cc2)sc2CCCc2c1C#N	MCULE-5590278294,EMOLS-id_331934993	520.6	NMINTYJEXNTDJT-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-158424
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)c(OC)c2)CC=C)sc2CCCc2c1C#N	MCULE-4379632450,EMOLS-id_332717888	520.6	SPEMBELFJQNNBM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158425
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(OC)cc(OC)c2)CC=C)sc2CCCc2c1C#N	EMOLS-id_332714562,MCULE-9219154888	520.6	ZCKXHSCIDWSRNP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158426
c1(NC(=O)COc2nonc2CC(=O)NCC(c2ccccc2)N2CCCC2)sc2CCCc2c1C#N	MCULE-3353780002,EMOLS-id_333687889	520.603	KRYYTAVUAHLGNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158427
CO/N=C(C(=O)N[C@@H]1C(=O)N2C(=C(C[n+]3csc4c3CCC4)CS[C@H]12)C(=O)[O-])/c1csc(N)n1	CHEMBL306006	520.605	ZNRAYMGNBPKOKZ-GIXWELNESA-N	00001010100011000001001010000000000000000000000000000000	25-01-158428
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)[O-])C(=O)C2NC(=O)C(=NO)c1nc(sc1)N	PC-id_76025800	520.605	URAYOAFQDMICTB-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158429
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(C1)C[n+]1c2CCCc2sc1)C(=O)[O-]	PC-id_72738997	520.605	ZNRAYMGNBPKOKZ-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158430
S1[C@@H]2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)[O-])C(=O)[C@H]2NC(=O)C(=NO)c1nc(sc1)N	PC-id_53372248	520.605	URAYOAFQDMICTB-GWTFAOQQSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158431
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(C1)C[n+]1c2CCCc2sc1)C(=O)[O-]	PC-id_14758392	520.605	ZNRAYMGNBPKOKZ-RDTXWAMCSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158432
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331926552,MCULE-5343971468	520.618	WHAJBYNJWZIFOI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158433
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331923987,MCULE-2182106733	520.618	OOWNWJZVLXWUSU-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-158434
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)Cc2ccccc2F)sc2CCCc2c1C#N	MCULE-9682285610,EMOLS-id_331931167	520.618	MOELGEGXGSWTJY-UHFFFAOYSA-N	00000010100010111000000010000000000000000000000000000000	25-01-158435
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7636373532,PC-id_24223386	520.62	RPSJJWRLOVXFLB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-158436
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(F)cc2)nn1)C)C(=O)OCC	PC-id_23905076	520.62	AVQOPACJYZSIOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158437
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(F)ccc2)nn1)C)C(=O)OCC	PC-id_23737950	520.62	VKRORYZCCRORBZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158438
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(F)cccc2)nn1)C)C(=O)OCC	PC-id_23852901	520.62	VQGWPFAMTMQXEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158439
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)Cc2ccc(F)cc2)nn1)C(=O)OCC	PC-id_24100318	520.62	NVBFUNJKXBVYCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158440
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCC2)c1C(=O)NC	EMOLS-id_5523515,ZINC22_9599750,PC-id_18561002,CoCoCo_5058642,GD-id_ZINC09599750,MCULE-8486517409	520.622	LQJPZKGBHASRFL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158441
CC(=O)Nc1cc(ccc1/N=C/1c2nc(nn2N=C1C(C)(C)C)C(CNC(=O)C(=O)C)C)N1CCCCC1	SCHEMBL14390476,PC-id_71159064	520.627	ORZLKEVCOYKOJT-SWKFRHMKSA-N	00000011100010110001100010000000000000000000000000000000	25-01-158442
[C-]#[N+]c1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL10076859,PC-id_59508298	520.627	IHCIMSZBEPKORS-MSOLQXFVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158443
N#Cc1cccnc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_141703936	520.627	DEDMVRWYWWIYOG-MSOLQXFVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158444
N#Cc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_66738985,SCHEMBL597693,BindingDB_PC-id_66738985	520.627	LJQVTEDWNZBUJS-MSOLQXFVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158445
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(cc4)C#N)c3C2)(C)C)C)CC1	PC-id_77182986	520.627	LJQVTEDWNZBUJS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158446
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc([N+]#[C-])cc4)c3C2)(C)C)C)CC1	PC-id_72310431	520.627	IHCIMSZBEPKORS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158447
CN(CC1CCn2c1ccc2Cc1ccccc1)CCC(c1ccccc1)OC1=CC=C(CC1)C(F)(F)F	PC-id_144237466	520.628	VLMIOPUFHHQMMP-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-158448
CN(CC1CCn2c1ccc2Cc1ccccc1)CC[C@@H](c1ccccc1)OC1=CC=C(CC1)C(F)(F)F	PC-id_144237461	520.628	VLMIOPUFHHQMMP-VXPBITRUSA-N	00000010100011110000000010000000000000000000000000000000	25-01-158449
CN(CC1CCn2c1ccc2Cc1ccccc1)CC[C@H](c1ccccc1)OC1=CC=C(CC1)C(F)(F)F	PC-id_144237470	520.628	VLMIOPUFHHQMMP-VALFACCDSA-N	00000010100011110000000010000000000000000000000000000000	25-01-158450
CC(c1nc2n(n1)nc(/c/2=C/c1c(C)nn2c1[nH]c(n2)C(CNc1ccccc1)C)C)CNc1ccccc1	SCHEMBL13616161	520.631	RRXNTRAIIHOZOE-MYYYXRDXSA-N	00000000100000110001000110000000000000000000000000000000	25-01-158451
n12[nH]c(c(c1nc(n2)C(CNc1ccccc1)C)/C=c/1c2n(nc(n2)C(CNc2ccccc2)C)nc1C)C	PC-id_57549090	520.631	IBAGYRCVOLLBLJ-MYYYXRDXSA-N	00000000100000110001000110000000000000000000000000000000	25-01-158452
n12[nH]c(c(c1nc(n2)C(CNc1ccccc1)C)C=c1c2n(nc(n2)C(CNc2ccccc2)C)nc1C)C	PC-id_76562672	520.631	IBAGYRCVOLLBLJ-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-158453
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OC)c2ccccc2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-6860491386	520.64	NUMDBDHOTULHNO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158454
COCCCNC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)/c2ccccc2)sc2CCCc12	EMOLS-id_334385687	520.64	NUMDBDHOTULHNO-OQKWZONESA-N	00000010100000110000000010000000000000000000000000000000	25-01-158455
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331926303,MCULE-2319861938	520.643	MOGXYYYEZGSLHA-UHFFFAOYSA-N	00000010101010101000000010000000000000000000000000000000	25-01-158456
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CCCC)CCO)sc2CCCc2c1C#N	EMOLS-id_332714318,MCULE-2791569925	520.643	KKJAZATUCVMKFA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158457
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CCCO)sc2CCCc2c1C#N	EMOLS-id_332714571,MCULE-1789275542	520.643	NOQYPMNIILGCQR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158458
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_332714572,MCULE-6362026334	520.643	GTQBLQIGBGOQBJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158459
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332717383,MCULE-6475426926	520.643	SVFHFNULQUCUSY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158460
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCCCCO)sc2CCCc2c1C#N	MCULE-2245284369,EMOLS-id_332717899	520.643	GVKJMNOWXAWXKV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158461
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCCCCO)sc2CCCc2c1C#N	MCULE-6362525584,EMOLS-id_332721473	520.643	ZFFYIPQLTFBODD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158462
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C(C)(C)C)CCO)sc2CCCc2c1C#N	MCULE-6398164920,EMOLS-id_332716878	520.643	ILESNRSHSVDPML-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158463
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)C(C)(C)C)CCO)sc2CCCc2c1C#N	MCULE-8845161047,EMOLS-id_332715087	520.643	OYXYAPKTOZFRCA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158464
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C(C)C)CCOC)sc2CCCc2c1C#N	MCULE-2575531212,EMOLS-id_332711244	520.643	MGRZBKRDDSIBMV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158465
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2CC)CCCOC)sc2CCCc2c1C#N	MCULE-3563953047,EMOLS-id_332712015	520.643	LGCVIRMWWVDOJN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158466
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)CC)CCCOC)sc2CCCc2c1C#N	MCULE-9600143928,EMOLS-id_332710735	520.643	YWTUBRPXQZCWJW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158467
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_332712270,MCULE-6941856849	520.643	ZIXKEUUOPSHWJC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158468
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_332713038,MCULE-3739207542	520.643	WEGJKEJXNCUZOW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158469
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-8048822694,EMOLS-id_332717643	520.643	UAUNAVXZFLLABN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158470
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CCCC)sc2CCCc2c1C#N	EMOLS-id_332709965,MCULE-2230508568	520.643	JNDGSJZWHBKOIJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158471
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CC(C)C)sc2CCCc2c1C#N	EMOLS-id_332710985,MCULE-7359277469	520.643	GBFQSXGDGGOLNU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158472
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCCCC)CC)sc2CCCc2c1C#N	EMOLS-id_332715588,MCULE-4443310758	520.643	TUQMTJNQNJUKLW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158473
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCC(C)C)sc2CCCc2c1C#N	MCULE-6249391589,EMOLS-id_332718657	520.643	KBZFRESBRVQUIT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158474
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCCCC)sc2CCCc2c1C#N	MCULE-8509480259,EMOLS-id_332717640	520.643	XXUPNYAJNKSSOD-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158475
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCCCCO)sc2CCCc2c1C#N	EMOLS-id_332714316,MCULE-6880884716	520.643	AAHUKPXHUQEQDC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158476
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2C)CCCOC)sc2CCCc2c1C#N	EMOLS-id_332712271,MCULE-2248372841	520.643	HLFAELRDISQNQC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158477
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)ccc2C)CCCOC)sc2CCCc2c1C#N	EMOLS-id_332712783,MCULE-2287347684	520.643	QFFHZTOXGUATDH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158478
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)cc2C)CCCOC)sc2CCCc2c1C#N	MCULE-6361471362,EMOLS-id_332712527	520.643	NYWKOTUEUZOMMF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158479
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_332712782,MCULE-1625146278	520.643	VGXFZRCISFIGHQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158480
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(C)c2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_332713806,MCULE-7605254542	520.643	TWNOWMZMDDNXNY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158481
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(C)cc(C)c2)CCCOC)sc2CCCc2c1C#N	MCULE-5389228270,EMOLS-id_332710223	520.643	XPEKIQUCZGHMCE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158482
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332715590,MCULE-9041774629	520.643	MFASIMXJQHXYKV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158483
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CCCO)sc2CCCc2c1C#N	EMOLS-id_332716873,MCULE-4166321256	520.643	TWILXQMBSIKCOP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158484
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C(C)C)cc2)CCOC)sc2CCCc2c1C#N	EMOLS-id_332713546,MCULE-3258164669	520.643	WDZHQRXVJBPNBW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158485
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_332719937,MCULE-3777742453	520.643	IMMXMPULOFSWSM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158486
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCCCC)sc2CCCc2c1C#N	MCULE-5413216663,EMOLS-id_332714825	520.643	HMKPTNFXZWWNON-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158487
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CCCC)sc2CCCc2c1C#N	EMOLS-id_332712014,MCULE-3059195063	520.643	PHLUQRIKQOFRQO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158488
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CC(C)C)sc2CCCc2c1C#N	MCULE-9036674999,EMOLS-id_332713034	520.643	AHHNMWLKJRZPAA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158489
c1(NC(=O)COc2cn(c(cc2=O)CN(C)Cc2ccccc2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331920157,MCULE-9408657364	520.643	JBQXJLWBKKRGSO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158490
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)Cc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331929375,MCULE-2806341547	520.643	DGXFOEWYJJMLHV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158491
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccc(O)cc2)sc2CCCc2c1C#N	MCULE-3857544118,EMOLS-id_331932178	520.643	GMHBXJOCGKTWSP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158492
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccc(cc2)C)sc2CCCc2c1C#N	EMOLS-id_331933459,MCULE-3240847179	520.643	UQTPBRIWYQKCJX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158493
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccccc2C)sc2CCCc2c1C#N	MCULE-1213048029,EMOLS-id_331923995	520.643	QVFBXXGUTYOPJM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158494
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2cccc(C)c2)sc2CCCc2c1C#N	EMOLS-id_331925273,MCULE-7413324334	520.643	OSCLIXAQAVSPQU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158495
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331923227,MCULE-8375950188	520.643	NHLAOFOWLNIUCK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158496
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCc2ccc(C)cc2)sc2CCCc2c1C#N	EMOLS-id_331925784,MCULE-5657624046	520.643	AQLPSOJRDHBUTO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158497
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)Cc2ccccc2)CCC)sc2CCCc2c1C#N	EMOLS-id_331922450,MCULE-2458140408	520.643	QFSBUZIERYEJFZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158498
s1c2CCC(C(=O)N3CCN(CC3)CCc3ccccc3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16948109	520.643	XAVKQAFOECIJPI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158499
s1c2CCC(C(=O)NC3CCN(CC3)Cc3ccccc3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16948112	520.643	ADLBEHHRSDLNOD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158500
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)C)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331924763,MCULE-5065514712	520.646	PCEHDJSZXMOXHW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158501
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCn2ccnc2)sc2CCCc2c1C#N	MCULE-6548814480,EMOLS-id_331934738	520.646	ZBXWHTYSSXGSES-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158502
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC(C)C2)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331926043,MCULE-2303817868	520.646	XDPLQDZOOXRGJN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158503
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCCC2)CCc2c[nH]cn2)sc2CCCc2c1C#N	MCULE-5297332898,EMOLS-id_331926555	520.646	LMXZZSHDWWZYDT-UHFFFAOYSA-N	00000010100000101101000010000000000000000000000000000000	25-01-158504
CC1CN(CC(N1)C)Cc1ccc(cc1)C(=O)NN1NNc2c1cc(s2)C(=O)NN(c1ccccc1)C	PC-id_143286210	520.65	PYYLZUQUROEMJY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158505
CCOC(=O)c1c(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)sc2c1CCC2	ZINC22_408619868	520.663	OCEWPSJOEVXYNH-HHHXNRCGSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158506
CCOC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)sc2c1CCC2	ZINC22_408619872	520.663	OCEWPSJOEVXYNH-MHZLTWQESA-N	00000010100000110001100010000000000000000000000000000000	25-01-158507
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCC2=CCCCC2)sc2CCCc2c1C#N	EMOLS-id_331933456,MCULE-1122376336	520.686	JAVODHSLWHEWLB-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-158508
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C(c1ccccc1)Oc1ccccc1	SCHEMBL19537146	520.686	YRGIUGCXADCDCG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158509
C[C@H]1CN(CC2CCOCC2)[C@H](CN1C(=O)N1Cc2c(C1(C)C)n(nc2N)COCC[Si](C)(C)C)C	SCHEMBL10076763,PC-id_68027867	520.783	UCGSCFBTPSFTEK-PMACEKPBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158510
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)n(nc2N)COCC[Si](C)(C)C)C	SCHEMBL596926,PC-id_66738796	520.783	UCGSCFBTPSFTEK-UXHICEINSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158511
[Si](CCOCn1nc(N)c2c1C(N(C2)C(=O)N1C(CN(C(C1)C)CC1CCOCC1)C)(C)C)(C)(C)C	PC-id_77182926	520.783	UCGSCFBTPSFTEK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158512
Clc1c(NC(=O)c2ccc(OCC(=O)Nc3sc4CCCc4c3C#N)cc2)c(Cl)cc(Cl)c1	PC-id_1672949	520.815	KDGHANUQOXQBLZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158513
CCCCC(CS(=O)(=O)c1sc2=C([Te]C(=c2n1)C(C)(C)C)C(C)(C)C)CC	PC-id_144449383	525.238	VQARRGYDIQORRV-UHFFFAOYSA-N	00000000100000000001000010000000000000000000000000000000	25-01-158966
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	BindingDB-id_799335,PC-id_134285211,SCHEMBL19900922	520.892	XYRDAIYUNWGJGJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158514
Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1	BindingDB-id_980719,SCHEMBL21378280,PC-id_139507417	520.892	LTLQAGVTMGHVTQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158515
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)CCl	SCHEMBL20538965,PC-id_135360608	520.931	MEVKTBLOZCUOLU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158516
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCl)C	SCHEMBL18758460	520.931	MEVKTBLOZCUOLU-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158517
CC1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)C)Cl)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC	PC-id_134598972,SCHEMBL20252872	520.956	ZEABFJOWCRFGLQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158518
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N(C)C)C)Cl	SCHEMBL20252973,PC-id_134599072	520.956	HVTRXQLNLQSSCH-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158519
C[C@@H]1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)C)Cl)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC	PC-id_134598973,SCHEMBL20252873	520.956	ZEABFJOWCRFGLQ-CYBMUJFWSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158520
C[C@H]1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)C)Cl)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC	PC-id_134598982,SCHEMBL20252882	520.956	ZEABFJOWCRFGLQ-ZDUSSCGKSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158521
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O)Cc1ccccc1	MCULE-4061609088	520.963	DSWKJSOTTKMDTR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158522
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)c(OC)cc1	PC-id_19731585	521.052	MCTBOHJSZWSFGG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158523
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1)C	PC-id_19634164	521.052	GKIWOCDDVUARFX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158524
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1)C	PC-id_20121876	521.052	GCNDZSSIPOWNLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158525
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)cc1	PC-id_20121705	521.052	JEUANCJUNNYMJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158526
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1C)C	PC-id_19634454	521.052	IIWACWXMNHEFRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158527
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC)cc1)C	PC-id_19634258	521.052	TVRBVIAYKCVQOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158528
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)cc1)C	PC-id_19641038	521.052	BUOHTXIUEZYXHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158529
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC)cc1)C	PC-id_20121991	521.052	DVKMZLOYEZSHBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158530
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)cc1)C	PC-id_20122193	521.052	NEMUJYDHBMPGMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158531
Clc1cc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc1	PC-id_20122673	521.052	VEIZXILJWPBQOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158532
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)ccc1	PC-id_20122545	521.052	ZBVPHHXIKYUZNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158533
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cccc1	PC-id_17306578	521.052	VTTYFEFPMBZUHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158534
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc(cc1)C	PC-id_20129022	521.052	CRGSKWFLXOQPEZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158535
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)cccc1	PC-id_17304975	521.052	FKBYOVSQACUTNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158536
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)cccc1	PC-id_17306544	521.052	KAEWXXWXINTCRM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158537
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC)cc(cc1)C	PC-id_17267346	521.052	CURUEBZRQPKKFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158538
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)cc(cc1)C	PC-id_17305735	521.052	SIMYGQJQUMNREQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158539
CCS(=O)(=O)c1ccc(cc1)CC(=O)Sc1nc2c(s1)CN(C2(C)C)Cc1ccc(cc1)Cl	PC-id_134167002,SCHEMBL19767342	521.115	AMIVDUYNESFZKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158540
Clc1c(cc(S(=O)(=O)NC2=NCCN2C(=S)SN2CCn3c2nsc3=S)c(c1)C)C	NSC736212,PC-id_24205595	521.123	DDWNZKLQZVYFPG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158541
CC1(CCC(CC1)CC(=O)O)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_148929229	521.153	PLPMQIDBDDIILU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-158542
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3C[C@H](CN3C(=C2C)C(=O)NC4=CC(=C(C=C4)C)Cl)O	PC-id_161754083	521.153	MYANAJIEQYEGHN-OAHLLOKOSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158543
C1CC2=C(C1)SC(=N2)NC3=NC(=CC(=C3)S(=O)(=O)C4CCN(CC4)C(=O)O)NC5CCC(CC5)O	PC-id_153682232	521.177	QYYYJSFXFQZNJG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158544
COC(=O)C1CCn2c1c(Br)c(c2C(=O)c1cccc(c1)S(=O)(=O)OC)Br	SCHEMBL11002005	521.177	MXICUWKWWUALDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158545
Brc1ccc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(I)c1	EMOLS-id_328217722,MCULE-8113805435	521.189	YUHGGKFUFLWPLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158546
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2C)C(=O)C(=O)NC4(CC(C4)(F)F)C5=CN(N=N5)C)C#N	PC-id_161064296	521.199	UNLSVUPXOFZVTP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158547
CC1=CC(=CC=C1)CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5CC5	PC-id_160428776	521.21	PGCDRVTXZQXOKK-SFHVURJKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-158548
C[C@@H]1[C@@H](CCCN1C2=CN=C(C(=N2)NC3=CC(=CS3)C)C(=O)N)NC(=O)C4=CC5=C(N4C)CC(C5)(C)C	PC-id_160173210	521.257	IOUVDGZJMLKYBX-SJLPKXTDSA-N	00000010100110100001100010000000000000000000000000000000	25-01-158549
C/C=C/C(=O)N1CCC(CC1)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942110	521.311	KXUJKHKAECBQHL-MOVYNIQHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158550
CCCCCCCC(CCCCCCC)N1C(=O)c2c(sc(c2C1=O)Br)Br	PC-id_90363217,SCHEMBL15979458	521.349	IEUUXFBVMGDNTG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158551
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(COC1)C(F)(F)F)F)C(=O)Nc1cccc(c1F)C(F)F	PC-id_134599089,SCHEMBL20252990	521.385	YVOXGXMFOZOFJE-SNVBAGLBSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158552
Clc1c(OCC(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)ccc(Cl)c1	PC-id_44053482	521.416	WAKDCWSLHFNUOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158553
Brc1ccc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_19729377	521.45	MISJYONVEXYOLB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158554
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-1963777282,PC-id_18848835	521.456	MHNPSWLWSJBVBF-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-158555
N#Cc1ccc(cc1C)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18740094	521.458	IEUCCVGRFHFFCB-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158556
N#Cc1ccc(cc1C)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18740095	521.458	IEUCCVGRFHFFCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158557
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1	SCHEMBL21378288,PC-id_139507425,BindingDB-id_980706	521.487	ORQKDDZPTNDBOH-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158558
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-4216243196	521.51	XCBGMPZZQBRRDN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158559
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2ccccc2)cc1)C(=O)OC	PC-id_19660426	521.542	ZFZOFLCENRJZKL-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158560
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2ccccc2)cc1)C(=O)OC	PC-id_73634883	521.542	ZFZOFLCENRJZKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158561
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2ccc(OC)cc2)ccc1)C(=O)OC	PC-id_4617369	521.542	NHUMBDSBISFIPM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158562
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2ccc(OC)cc2)ccc1)C(=O)OC	PC-id_9679480	521.542	NHUMBDSBISFIPM-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158563
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2c(OC)cccc2)ccc1)C(=O)OC	PC-id_4450420	521.542	XNCJKYNZCQJXTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158564
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2c(OC)cccc2)ccc1)C(=O)OC	PC-id_9671188	521.542	XNCJKYNZCQJXTR-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158565
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc(OC)cc2)cccc1)C(=O)OC	PC-id_19660079	521.542	SZDUDGOLABKIIT-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158566
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)cccc1)C(=O)OC	PC-id_73634543	521.542	SZDUDGOLABKIIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158567
S(=O)(=O)(NCC(c1nc2n(N=C(C2=N[N-]c2c([N+]#[C-])cc(S(=O)(=O)N)cc2)C)c1)C)C#CC#CC#C	PC-id_58963862	521.552	DLCRZTHFBVDMPL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158568
CC(NCc1cccc(c1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)F)C	SCHEMBL1370628,PC-id_57749846	521.555	OXTULVGSRMEMPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158569
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(F)cccc1C(C(C)C)N	PC-id_67008805,SCHEMBL1370627	521.555	PGTIEMFRZHXBMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158570
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_4594655	521.563	FCYKBRJOYYTGBG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158571
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_4671856	521.563	UCOLDVBTEZRDAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158572
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)cccc1OC)C(=O)OCC	PC-id_3506038	521.563	YOHNVISWHMOXGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158573
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_3672638	521.563	BIPNFJHLJQVLDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158574
c1(NC(=O)C(C)Sc2nc(c3ccccc3)cc(n2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_3145728,TIMTEC249840,MCULE-5437808784,EMOLS-id_1419845	521.575	JULVKVLYAPOKEE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158575
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nc(c3ccccc3)cc(C(F)(F)F)n2)sc2c1CCC2	PC-id_40444362,CoCoCo_280159,ZINC22_2798814	521.575	JULVKVLYAPOKEE-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158576
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nc(c3ccccc3)cc(C(F)(F)F)n2)sc2c1CCC2	ZINC22_2798815,CoCoCo_280160,PC-id_40444363	521.575	JULVKVLYAPOKEE-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158577
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OCc1ccccc1)C(=O)OC	PC-id_73551541,MCULE-5302648283	521.581	JZJSTZBLUBQSDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158578
s1c2c(C(CC2)C(=O)OC)c(c1NC(=O)/C=C/c1cc(OC)c(OCc2ccccc2)cc1)C(=O)OC	PC-id_19173950	521.581	JZJSTZBLUBQSDE-GXDHUFHOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158579
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C(=O)OCC)C2)sc2c(CCC2)c1C(=O)NCc1ccco1	EMOLS-id_334336682,MCULE-2211183286	521.585	JEZJARSZAYTUKT-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-158580
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccccc2)cc1)C)C(=O)OC	PC-id_3425659	521.585	ZDEJELOPSMHRAJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158581
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccccc2)cc1)C)C(=O)OC	PC-id_9668265	521.585	ZDEJELOPSMHRAJ-MUFRIFMGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158582
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)cc1)C(=O)OCC	PC-id_19660117	521.585	QTJIAPBBDFCECJ-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-158583
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1)C(=O)OCC	PC-id_73634581	521.585	QTJIAPBBDFCECJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158584
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(c2)NC(=O)C)CCO)sc2CCCc2c1C#N	EMOLS-id_332715854,MCULE-1395805749	521.588	FAMOYPSPNBISQW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158585
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)NC(=O)C)CCO)sc2CCCc2c1C#N	EMOLS-id_332717901,MCULE-2544065231	521.588	GVCFVBBKRJCBLS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158586
Cc1nc(ccc1)N1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	SCHEMBL14056851,PC-id_89238151	521.588	HAMDLHBUJLFVQC-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-158587
O=C(c1ccc(cc1)Oc1ccccc1)Nc1[nH]nc2c1CN(C2)C(=O)Cc1csc(n1)c1ccccc1	SCHEMBL2921926,PC-id_10301677	521.59	SZLGKAURTROCPN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158588
C[N+]1(Cc2c(C1)scc2)CC1=C(N2[C@H]([C@@H](C2=O)NC(=O)/C(=NO)/c2nsc(n2)N)SC1)C(=O)[O-]	PC-id_136015111	521.593	OTPKLQTXWXHRIB-VJGQFQMISA-N	00001010100011000001001010000000000000000000000000000000	25-01-158589
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)[O-])C(=O)C2NC(=O)C(=C1NSC(=N1)N)N=O	PC-id_76025802	521.593	OTPKLQTXWXHRIB-UHFFFAOYSA-N	00001011100011000001001010000000000000000000000000000000	25-01-158590
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_5475010,PC-id_5106409,MCULE-5129297169,ZINC22_9434145,CoCoCo_5018646	521.606	TYRBWILYWLPNQD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158591
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CC1(COC1)O)(C(=O)NO)S(=O)(=O)C	PC-id_137440913,SCHEMBL20678218	521.606	YNOCORJNYCABMI-JOCHJYFZSA-N	00001010100000000000000010000000000000000000000000000000	25-01-158592
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1CN(C1)CC1(COC1)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678219,PC-id_137440914	521.606	YNOCORJNYCABMI-UHFFFAOYSA-N	00001010100000000000000010000000000000000000000000000000	25-01-158593
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(c(cc3)C)C)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053740	521.606	JKFNQBXMAQVNTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158594
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCC2)c1C(=O)NC(=O)OCC)c1ccc(OC)cc1	PC-id_16924002	521.606	FXCZQJOJLXTYCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158595
c1(NC(=O)COc2cn(c(cc2=O)CSc2nccn2C)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331789495,MCULE-8842536607	521.611	CCKWEYKIQCTJFV-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-158596
CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1csc2c1CCC2)c1csc(n1)N	PC-id_101614527	521.613	ZNRAYMGNBPKOKZ-ZIUXXJJSSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158597
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)C2NC(=O)C(=NO)c1nc(sc1)N	PC-id_76025801	521.613	URAYOAFQDMICTB-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158598
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(C1)C[n+]1c2CCCc2sc1)C(=O)O	PC-id_72738998	521.613	ZNRAYMGNBPKOKZ-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158599
S1[C@@H]2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)[C@H]2NC(=O)C(=NO)c1nc(sc1)N	PC-id_53372249	521.613	URAYOAFQDMICTB-GWTFAOQQSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158600
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(C1)C[n+]1c2CCCc2sc1)C(=O)O	PC-id_14758393	521.613	ZNRAYMGNBPKOKZ-RDTXWAMCSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158601
c1(NC(=O)COc2cn(c(cc2=O)C)CCc2ccc(OCC)c(OCC)c2)sc2CCCc2c1C#N	MCULE-5946178056,EMOLS-id_331632068	521.628	NYVAWUYQMCGPGO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158602
CC(C)(C)c1ccc(cc1)CCNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)oc(c2)NC(=O)C=C	SCHEMBL14058554,PC-id_89239362	521.628	KBFZEXJBMWSICU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158603
CCCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC	EMOLS-id_45965733,ZINC22_16742158	521.628	MGZPINJXTQFXOX-RGLXFYGRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158604
CCCCCOc1ccc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OCC	EMOLS-id_45965787,ZINC22_16742407	521.628	PKBMZROPXQVUJG-RGLXFYGRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158605
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCCCCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4311052919	521.628	MGZPINJXTQFXOX-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158606
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCCCCC)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-3099546295	521.628	PKBMZROPXQVUJG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158607
c1(NC(=O)COc2cccc(c2)NC(=O)CC(c2ccccc2)c2ccccc2)sc2c(CCC2)c1C#N	EMOLS-id_323216442,MCULE-3192614847	521.629	PQFBCSQPMWEORK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158608
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(CC2)CC)Cc2ccco2)sc2CCCc2c1C#N	MCULE-4577367700,EMOLS-id_331927568	521.631	FAYFSXFBMJKOHG-UHFFFAOYSA-N	00000010101010101001000010000000000000000000000000000000	25-01-158609
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332716615,MCULE-2900234694	521.631	QLSGXALALDQZQZ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158610
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CCCO)sc2CCCc2c1C#N	MCULE-7039628695,EMOLS-id_332717898	521.631	XMSVFJFBHRZACK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158611
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)N(C)C)CCOC)sc2CCCc2c1C#N	MCULE-8397532239,EMOLS-id_332710476	521.631	HNXJILKQBXOGLX-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158612
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332716108,MCULE-5768985592	521.631	HAZOWVDNOIERMQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158613
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332714823,MCULE-6915728484	521.631	QJVCXWOIBSVDPR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158614
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CCCO)sc2CCCc2c1C#N	MCULE-4024928025,EMOLS-id_332716106	521.631	JIPVBQQKXLDCAM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158615
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(N(C)C)c2)CCOC)sc2CCCc2c1C#N	EMOLS-id_332712779,MCULE-3207681493	521.631	VMRBNDIOIXCOBO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158616
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCN(C)C)sc2CCCc2c1C#N	MCULE-3889380838,EMOLS-id_332717388	521.631	OOVHEMAPOCIKAJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158617
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCc2ccncc2)CCO)sc2CCCc2c1C#N	MCULE-8219361605,EMOLS-id_331929374	521.631	WTFSCDUAMDVOLC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158618
c1(NC(=O)COc2cn(c(cc2=O)CN2CCN(C)CC2)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331925275,MCULE-4366684037	521.634	QPIMLIWFOHLOFB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158619
N#Cc1nc2n(c1/C=C/CO[Si](C(C)(C)C)(C)C)C[C@H](O2)COc1ccc(cc1)C(C(F)(F)F)(C)C	PC-id_140261670	521.647	JNNPIXLGPUCFOP-IBDYFIJFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158620
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_331790769,MCULE-7965495680	521.651	BRZHWYMWRGHRJO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158621
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_44053191	521.653	RJYRHYOVAJVMOI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158622
C=CC(=O)NC1CCC(CC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121444017,SCHEMBL20741162	521.654	QJPXJUQQVNWGQA-QETWGEEDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158623
C=CC(=O)N[C@@H]1CC[C@@H](CC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878779	521.654	QJPXJUQQVNWGQA-RZUBCFFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158624
C=CC(=O)N[C@@H]1CC[C@H](CC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878784	521.654	QJPXJUQQVNWGQA-KCZVDYSFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158625
N/C=CC(=Nc1cc(cn(c1=O)C)/C(=C(/C(=N)N(CCn1c(C=O)cc2c1CC(C2)(C)C)C)CO)/CC)N	PC-id_145573425	521.654	DINDCLVRCQPMIU-LYUINDHTSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158626
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331790525,MCULE-1230067199	521.694	ODLAKLCEEZETJP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158627
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCCCC)sc2CCCc2c1C#N	EMOLS-id_331792055,MCULE-7329842324	521.694	SQFXATUHFBPAOM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158628
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCC(C)C)sc2CCCc2c1C#N	MCULE-2121152350,EMOLS-id_331791550	521.694	ZAZUNHHOHOPGHV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158629
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCC(C)C)sc2CCCc2c1C#N	EMOLS-id_331791806,MCULE-5106378133	521.694	YEGUJTOXRNGWPU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158630
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCCCC)sc2CCCc2c1C#N	MCULE-7133069028,EMOLS-id_331788472	521.694	FNSSPQQBLRUTPP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158631
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2ccc(cc2)C)sc2CCCc2c1C#N	MCULE-3268969761,EMOLS-id_331790270	521.694	LRLLTIIKGNVOSP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158632
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2ccccc2C)sc2CCCc2c1C#N	MCULE-9576578981,EMOLS-id_331790773	521.694	NIDWGVOYECBULI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158633
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)CCc2ccc(C)cc2)sc2CCCc2c1C#N	EMOLS-id_331791284,MCULE-7334214433	521.694	CUDFYELWONKIBS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158634
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2cccc(C)c2)sc2CCCc2c1C#N	MCULE-2185770109,EMOLS-id_331788725	521.694	BHNIJTPMWXFUKN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158635
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)CCc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331788976,MCULE-5880366276	521.694	SFGMNDGLPLKTOV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158636
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCCCc2ccccc2)sc2CCCc2c1C#N	MCULE-5274265998,EMOLS-id_331791285	521.694	RXOOTIFSALATBU-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158637
CSCCNc1cc(SC2CCN(CC2)C(=O)OC(C)(C)C)cc(n1)Nc1nc2c(s1)CCC2	PC-id_144988075	521.762	FEECFDDGEZJHPN-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158638
Clc1c(c2noc(c2C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)C)cccc1	PC-id_44053783	522.018	FUBPRKYBPNEBQW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158639
Clc1ccc(nc1)NC(=O)C(=O)NCC(C(=O)N(C)C)NC(=O)c1sc2c(n1)CN(C2)C(C)(C)C	PC-id_58893916,SCHEMBL14496383	522.02	WVHZUSWNLQKXQL-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158640
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(ccc1)C	PC-id_24947697,SCHEMBL1983866	522.042	LMLKVTOOPGTTJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158641
Clc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1	PC-id_19678600	522.06	KYWODJDJQLVZDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158642
C1Cc2c(C1)[nH]nc2C(=O)N/N=C/c1cc(cc(c1O)I)I	PC-id_135715931	522.08	FTWLBTQYNFVFPS-UBKPWBPPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158643
IC1=CC(=CC(=CNNC(=O)c2n[nH]c3CCCc23)C1=O)I	PC-id_6789913	522.08	NBRNNIBCPCXOOX-UHFFFAOYSA-N	00000010100011000001000010000000000000000000000000000000	25-01-158644
COCCn1cc2CN(Cc2n1)C(=O)NC1=C[I-]C(=CC=C1N)c1ccccc1F	PC-id_163960510	522.081	JSPOWELGHDEWQA-UHFFFAOYSA-N	00000010100000110111100010000000000000000000000000000000	25-01-158645
Clc1ccc(NC(=O)C(=S)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(N(C)C)CC2)nc1	PC-id_73005527	522.086	MLFIAWAHSNLNTB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158646
Clc1ccc(NC(=O)C(=S)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@@H](N(C)C)CC2)nc1	PC-id_11555864	522.086	MLFIAWAHSNLNTB-SOUVJXGZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158647
CC1(CCN(CC1)CC(=O)O)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_149225263	522.148	XJFUHZLTMYHBOZ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-158648
COC1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=CC=C3)NC4=C(C(=CC(=C4)O)O)C(=O)N5CC6=C(C5)NN=C6	CHEMBL4539195,PC-id_155269020	522.202	AGHGFXYTOHRBLY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158649
CC1(CCC(CC1)CCCCC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)OC)Cl	PC-id_164801020	522.25	RFXCNLWOAWIWLT-UHFFFAOYSA-N	00000010100010000000000010000000000000000000000000000000	25-01-158650
C[C@H]1CN(CCN1C(=O)CO)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCN(CC4)C5=CC=CC(=C5C)C	PC-id_152275559	522.295	WKGKBGGZAGKEDO-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158651
Cc1c(C(=O)C(=O)NC2(COC2)C(F)(F)F)c2C[C@@H](F)Cn2c1C(=O)Nc1ccnc(C(F)F)c1F	BindingDB-id_799442,PC-id_134285130,SCHEMBL19900832	522.373	ACXVSWWSVCRTBR-SECBINFHSA-N	00001010100000101000000010000000000000000000000000000000	25-01-158652
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(COC1)C(F)(F)F)F)C(=O)Nc1c(c(ncc1)C(F)F)F	SCHEMBL19900834,PC-id_134285132	522.373	ACXVSWWSVCRTBR-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-158653
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-3386328449	522.402	OGQXCTJFTWEVER-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158654
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-3716404582	522.402	IPRAAXAQQXXWLU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158655
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-8901816436	522.402	AYTASAMTGCQCFF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158656
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(S(=O)(=O)C)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24948457,SCHEMBL1983870	522.404	SGCJTXMLGLSFTG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158657
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(F)c(F)c(F)c1	BindingDB-id_799359,PC-id_134285284,SCHEMBL19901009	522.427	JSRZDJNDLPMVHE-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158658
Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1	PC-id_139525364,BindingDB-id_980721,SCHEMBL21398658	522.427	WUULXVVLSVMUCO-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158659
Brc1c(c2n(N)c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cccc1	PC-id_17047490	522.438	PSKNVMUBWAIFBH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158660
Brc1cc(c2n(N)c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc1	PC-id_17047510	522.438	PJPKHNKXGVAOOU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158661
Brc1ccc(c2n(N)c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_17047530	522.438	CQQZVKGFPKMWOT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158662
S1Cc2c(n(nc2C1)CC(=O)NCC1OCCC1)NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_44053166	522.464	WEDPDOSPUSYGPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158663
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(nn2c1N(CC2)Cc1cccc(c1)C(F)(F)F)C(F)F)C	SCHEMBL18758737	522.467	DENWGQAQXMWSHC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158664
FC(CC1=C(C(c2n1nc(c2C(=O)c1ccccc1)C(F)(F)C(F)(F)F)(C)C)C)c1ccc(OC)cc1	PC-id_16080293	522.482	HRCAFJOPBKDFIJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158665
CC(c1ccc(cc1)C1CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18740088	522.485	AYCDVHZVHJJZOS-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158666
C[C@@H](c1ccc(cc1)C1CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18758718	522.485	AYCDVHZVHJJZOS-HNNXBMFYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158667
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(F)cccc1Br	PC-id_140882954	522.486	XCJIWLFXXANSNJ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158668
Cc1c(c(ccc1)Br)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL20348562,PC-id_135195432	522.501	BLNNRHOSECLIKF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158669
CC1C(=Cc2c1c(nn2S(=O)(=O)c1ccc(cc1)C)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F	PC-id_89208211	522.515	DNPMYIAKUFKEQQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158670
Cc1ccc(cc1)S(=O)(=O)n1nc(c2c1C=C([C@@H]2C)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C	SCHEMBL13954856	522.515	DNPMYIAKUFKEQQ-LBPRGKRZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158671
FC(F)(F)c1ccc(C2CCN(CC2)C(=O)N2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69479825,SCHEMBL5537448	522.52	VHKGWEKHDDOJLW-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158672
FC(F)(F)c1ccc(C2CCN(CC2)C(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69479826,SCHEMBL5537453	522.52	VHKGWEKHDDOJLW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158673
S(=O)(=O)(NCC(c1nc2n(N=C(C2=NNc2c([N+]#[C-])cc(S(=O)(=O)N)cc2)C)c1)C)C#CC#CC#C	PC-id_58963863	522.56	OFUKFJQRXYOOPZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158674
C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nccc(n3)C(F)(F)F)n[nH]c2C1(C)C	SCHEMBL3326434,BindingDB_PC-id_25155216,PC-id_25155216,BindingDB-id_546085	522.566	MFIMRWWBOSDVFD-CABCVRRESA-N	00000010100010100001100010000000000000000000000000000000	25-01-158675
NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1cccc(Oc2ccccc2)c1	PC-id_25720989,ZINC22_13129718,CoCoCo_3116056	522.573	GMZUNSNDQJOPRJ-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-158676
NC(=O)N[C@H](CC(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1cccc(Oc2ccccc2)c1	PC-id_25720990,CoCoCo_3116055,ZINC22_13129719	522.573	GMZUNSNDQJOPRJ-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158677
O=C(CC(c1cccc(c1)Oc1ccccc1)NC(=O)N)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_4844106,EMOLS-id_43784456,MCULE-4165013479	522.573	GMZUNSNDQJOPRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158678
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)[O-]	PC-id_25065644	522.581	HEZGNANCZMBLSH-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158679
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)[O-]	PC-id_44468957	522.581	HEZGNANCZMBLSH-MLGOLLRUSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158680
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC)C(=O)OC	PC-id_19635548	522.588	FZDMQGKJRDKIHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158681
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)C)C(=O)OCC	PC-id_19635435	522.588	GTVKBCMQHRBYDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158682
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(O)C2)CCc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331926808,MCULE-1715997553	522.591	CQQHZMJJGAAQQJ-UHFFFAOYSA-N	00001010100000111000000010000000000000000000000000000000	25-01-158683
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331926546,MCULE-7701887197	522.591	KTXJILUJFLIFGU-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-158684
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)Cc2ccccc2F)sc2CCCc2c1C#N	EMOLS-id_331929631,MCULE-5884876566	522.591	MENFRLCAMOBYDH-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-158685
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_332713551,MCULE-2621505017	522.591	OPCAKUNOPQJTFK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158686
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CC2CCCO2)sc2CCCc2c1C#N	EMOLS-id_332713807,MCULE-5342239892	522.591	WWCNVOPJLMIRQJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158687
COC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2	PC-id_4178302,EMOLS-id_43737148,ZINC22_12616668,CoCoCo_2965146,MCULE-1740046350	522.591	JYRJAFWRQSSQLA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158688
Cc1ccc(c(c1NC(=O)c1cc2c(s1)CC(C2O)(C)C)F)c1n[nH]c(=O)c(c1)Nc1nn(c(c1)C)C	SCHEMBL2490324,PC-id_46223728	522.594	LVXMFPMROTYIJU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158689
Cc1ccc(c(c1NC(=O)c1cc2c(s1)CC([C@H]2O)(C)C)F)c1n[nH]c(=O)c(c1)Nc1nn(c(c1)C)C	SCHEMBL2489757,PC-id_58540182	522.594	LVXMFPMROTYIJU-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158690
Cc1ccc(c(c1NC(=O)c1cc2c(s1)CC([C@@H]2O)(C)C)F)c1n[nH]c(=O)c(c1)Nc1nn(c(c1)C)C	SCHEMBL2491669,PC-id_58540026	522.594	LVXMFPMROTYIJU-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158691
Cc1cc(NC(=O)c2sc3c(c2)C(C(C3)(C)C)O)c(c(c1)c1n[nH]c(=O)c(c1)Nc1cc(n(n1)C)C)F	PC-id_67995626,SCHEMBL9984998	522.594	SJFOSNJKRIGDCI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158692
C[C@@](CCN1Cc2cc(C#Cc3ccc(CNS(=O)(=O)C)cc3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	PC-id_118368760,SCHEMBL18730020,CHEMBL4451167	522.594	QSPASSAXRORLKO-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158693
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CS(=O)(=O)C1)(C(=O)NO)S(=O)(=O)C	PC-id_135315457,SCHEMBL20484942	522.594	KCRZRVSTRXDLLO-JOCHJYFZSA-N	00001010100000000001100010000000000000000000000000000000	25-01-158694
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CS(=O)(=O)C1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484944,PC-id_135315458	522.594	KCRZRVSTRXDLLO-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-158695
Fc1ccc(c(c1NC(=O)c1cc2c(s1)CC(C2O)(C)C)C)c1n[nH]c(=O)c(c1)Nc1nn(c(c1)C)C	PC-id_58540072,SCHEMBL2490047	522.594	CEEHMFUGHCQSSF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158696
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CNS(=O)(=O)C)C	PC-id_140781561	522.594	QSPASSAXRORLKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158697
O=C(C(c1ccccc1)c1ccccc1)Cc1nc2n(c1=CC(=O)C(c1ccccc1)c1ccccc1)cnn2	PC-id_343310	522.596	ZSQCRWYIMAIJMH-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158698
O=C(/C=c/1c(CC(=O)C(c2ccccc2)c2ccccc2)nc2nncn12)C(c1ccccc1)c1ccccc1	ZINC22_17142969,CoCoCo_5636542,PC-id_92529495	522.596	ZSQCRWYIMAIJMH-QUPMIFSKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158699
O=C(/C=c
/c(CC(=O)C(c2ccccc2)c2ccccc2)nc2nncn12)C(c1ccccc1)c1ccccc1	ZINC22_5664062,CoCoCo_5636541,NSC382724,LI_194205	522.596	ZSQCRWYIMAIJMH-IADYIPOJSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158700
n12CCC(C(=O)NCc3cn(nn3)CC3CC(=O)N(Cc4ccccc4)C3)c1ccc2C(=O)c1ccccc1	PC-id_146075315,MCULE-9141402597,EMOLS-id_324113176	522.598	BMKLBPIRYLMZQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158701
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1	ZINC22_1889302872	522.598	BMKLBPIRYLMZQB-DHLKQENFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158702
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1	ZINC22_1889302873	522.598	BMKLBPIRYLMZQB-RCZVLFRGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158703
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1	ZINC22_1889302874	522.598	BMKLBPIRYLMZQB-RDGATRHJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158704
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1	ZINC22_1889302875	522.598	BMKLBPIRYLMZQB-WIOPSUGQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158705
C1(=Nc2n(C1=O)c(CCCCc1nnc3n1C(=O)C(=N3)CC(=O)CCCCC)nn2)CC(=O)CCCCC	SPECS-id_AT-225/NB51023,PC-id_3318136,MCULE-3495564968,ZINC22_25573387	522.599	QOCOKVDSSOKSHL-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-158706
C[N+]1(Cc2c(C1)scc2)CC1=C(N2[C@H]([C@@H](C2=O)NC(=O)/C(=NO)/c2nsc(n2)N)SC1)C(=O)O	PC-id_136015112	522.601	OTPKLQTXWXHRIB-VJGQFQMISA-O	00001010100011000001001010000000000000000000000000000000	25-01-158707
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)C2NC(=O)C(=C1NSC(=N1)N)N=O	PC-id_76025803	522.601	OTPKLQTXWXHRIB-UHFFFAOYSA-O	00001011100011000001001010000000000000000000000000000000	25-01-158708
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)CO)Cc2ccco2)sc2CCCc2c1C#N	MCULE-9617504828,EMOLS-id_331924511	522.616	UQFBCWSPSYJBQA-UHFFFAOYSA-N	00000010101010101000000010000000000000000000000000000000	25-01-158709
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)OC(C)C2)Cc2ccco2)sc2CCCc2c1C#N	MCULE-1807112997,EMOLS-id_331926814	522.616	OPBPGAJSCHREJE-UHFFFAOYSA-N	00000010101010101001000010000000000000000000000000000000	25-01-158710
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccccc2C)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_332715597,MCULE-7044568312	522.616	GLNJFQXKCJHAPH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158711
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)C)CCOCCO)sc2CCCc2c1C#N	MCULE-7742340426,EMOLS-id_332714829	522.616	ALCYXZQPKSBWGI-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158712
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CCCO)sc2CCCc2c1C#N	EMOLS-id_332717897,MCULE-7056182985	522.616	IBFJXCHGCHAXLF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158713
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CC(C)O)sc2CCCc2c1C#N	MCULE-3476882197,EMOLS-id_332716614	522.616	XDHQCWGPYJHGPF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158714
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OCC)CCOC)sc2CCCc2c1C#N	EMOLS-id_332710475,MCULE-2280647964	522.616	NNBHUKCMXQLAHM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158715
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)OC)CCCOC)sc2CCCc2c1C#N	MCULE-7436785073,EMOLS-id_332710479	522.616	IHBRZTGLQOFSBW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158716
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(C)c2)CCOCCO)sc2CCCc2c1C#N	EMOLS-id_332715341,MCULE-4789686933	522.616	ASWYCJYIEPHVBW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158717
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(OC)c2)CCCOC)sc2CCCc2c1C#N	MCULE-9476753768,EMOLS-id_332711503	522.616	FLEJOUJDAYHUOW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158718
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CC(C)O)sc2CCCc2c1C#N	EMOLS-id_332714568,MCULE-3060655049	522.616	LZRZWRLFJHFFGO-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158719
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CCCO)sc2CCCc2c1C#N	EMOLS-id_332715851,MCULE-7964163253	522.616	KDHJQCIOHUYQHM-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158720
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)cc2C)CCOC)sc2CCCc2c1C#N	EMOLS-id_332712524,MCULE-7118239372	522.616	CVNNRHCPFVAUQW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158721
Brc1c(n2c(C(CC2)C(=O)OCCCCCCCCCCCC)c1)C(=O)c1ccc(cc1)C=C	SCHEMBL10817481,PC-id_20253902	528.521	SKOPCZZHVLCVMU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159301
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(OC)c(OC)c2)CCC)sc2CCCc2c1C#N	EMOLS-id_332713798,MCULE-6190379843	522.616	PMIQSPJMSQSHPR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158722
c1(NC(=O)COc2cn(c(cc2=O)CNc2cc(OC)cc(OC)c2)CCC)sc2CCCc2c1C#N	EMOLS-id_332710472,MCULE-9413483283	522.616	JWJNXXOUBCJCPP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158723
c1(NC(=O)COc2cn(c(cc2=O)CN(C)C)CCOc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331935506,MCULE-7978997773	522.616	VKXGMKIOFMSENP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158724
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccc(O)cc2)sc2CCCc2c1C#N	MCULE-8198682492,EMOLS-id_331932690	522.616	ACQXPHZGTQCRAL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158725
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)Cc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331929119,MCULE-8875094470	522.616	KFHACJDZNXCWKY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158726
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)Cc2ccccc2)CCO)sc2CCCc2c1C#N	MCULE-5556445568,EMOLS-id_331929885	522.616	SRPCIVLNBIZMFA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158727
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)Cc2ccccc2)sc2CCCc2c1C#N	EMOLS-id_331925776,MCULE-3205024976	522.616	XBHZQUSFXITFBG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158728
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_16947987	522.616	WQHGAKAFULCRKX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158729
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)c1cc(OC)ccc1	PC-id_16948111	522.616	NZHCOSJLXIQMHK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158730
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)c1c(OC)cccc1	PC-id_16947988	522.616	YBPJSRDAEHLZLO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158731
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC(=O)NCCc2ccccc2)C1	PC-id_44053767	522.616	YUZCUESXTFGVNY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158732
c1(NC(=O)COc2cn(c(cc2=O)CN2CCC(CC2)O)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331924764,MCULE-7282212693	522.619	DYJNJYDOYPIUDB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158733
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_331933202,MCULE-9342065172	522.619	ZCMBDFKBZKVINA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158734
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_332720192,MCULE-9451750536	522.634	IUISPTUHPDGUNG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158735
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CCCCC)sc2CCCc2c1C#N	EMOLS-id_332717896,MCULE-6861933537	522.634	LIQRWDCMBYPEOR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158736
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CCC(C)C)sc2CCCc2c1C#N	MCULE-1857631386,EMOLS-id_332718913	522.634	JIHWIDMRNLENPT-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158737
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_332720448,MCULE-5670956091	522.634	KQFDSOGLYQESDK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158738
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CC)CCc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331927320,MCULE-6959706182	522.634	HLVNGBKAQOWCLA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158739
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccccc2F)sc2CCCc2c1C#N	EMOLS-id_331930911,MCULE-8506340314	522.634	MUTMNKJUHGVXCJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158740
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)Cc2ccc(cc2)F)sc2CCCc2c1C#N	MCULE-3734590777,EMOLS-id_331923731	522.634	WODIIBDAIXSPHJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158741
CCC(CC)C(=O)Nc1c2c(cs1)C(=O)N(C2=O)C(CS(=O)(=O)C)c1cc(c(cc1)OC)OCC	PC-id_137355646,SCHEMBL20580138	522.634	SWQMTIXSTAALLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158742
CCC(CC)C(=O)Nc1c2c(cs1)C(=O)N(C2=O)[C@H](CS(=O)(=O)C)c1cc(c(cc1)OC)OCC	PC-id_137355645,SCHEMBL20580137	522.634	SWQMTIXSTAALLF-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158743
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCN(CC2)c2ccccc2)sc2CCCc2c1C#N	EMOLS-id_333773906,MCULE-2111883335	522.639	BKLHYCKBSDIEGG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158744
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331791547,MCULE-1797832276	522.639	ASMDYJJRYPHCON-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158745
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CC2CCCO2)sc2CCCc2c1C#N	MCULE-9921196569,EMOLS-id_331792049	522.639	GROAJJGTFPWLRM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158746
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334330787,MCULE-3108697214	522.656	DARSTOLKVBVSDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158747
c1(NC(=O)C(=Cc2ccc(cc2)OC)c2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5717401728	522.657	GVEWHTDVOKOOGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158748
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7370892674	522.657	BQBDXVKFQVHBMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158749
COc1ccc(/C=C(C(=O)Nc2sc3CCCc3c2C(=O)NCCc2ccccc2)/c2ccccc2)cc1	EMOLS-id_334331814	522.657	GVEWHTDVOKOOGT-MEFGMAGPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158750
O=C(Nc1sc2CCCc2c1C(=O)NCCc1ccccc1)/C=C/c1ccc(OCc2ccccc2)cc1	EMOLS-id_334328237	522.657	BQBDXVKFQVHBMJ-KNTRCKAVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158751
c1(NC(=O)COc2cn(c(cc2=O)CN2CCOCC2)CCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-4772181369,EMOLS-id_331931920	522.659	YAUDCHHNTJZVRK-UHFFFAOYSA-N	00000010100011101001000010000000000000000000000000000000	25-01-158752
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCC)Cc2ccco2)sc2CCCc2c1C#N	MCULE-6477314465,EMOLS-id_331926559	522.659	LLPDJDQVLWZZSI-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-158753
s1c2CCC(C(=O)N3CCN(CC3)C(c3ccccc3)c3ccccc3)c2nc1NC(=O)c1ccccc1	PC-id_16947027	522.661	UZGHEUKLSCMJKP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158754
c1(NC(=O)COc2cn(c(cc2=O)CN(CCC)CCC)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331923740,MCULE-3416767776	522.662	NFKRQXKMSGPDLG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158755
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CC)CCc2c[nH]cn2)sc2CCCc2c1C#N	EMOLS-id_331926299,MCULE-9701909464	522.662	ZAXUMZMTVYADDF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158756
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCCn2ccnc2)sc2CCCc2c1C#N	EMOLS-id_331934482,MCULE-8666446951	522.662	MPEMMIVSRVMWLV-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158757
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCCN(C)C)sc2CCCc2c1C#N	MCULE-1785028683,EMOLS-id_331790009	522.682	PARKGNJPCWVETH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158758
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCN(C)C)sc2CCCc2c1C#N	MCULE-9783511067,EMOLS-id_331791802	522.682	CULZYNNSANKBMH-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158759
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331791805,MCULE-3237119110	522.682	WZLVDPWSGINJDA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158760
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCN(C)C)sc2CCCc2c1C#N	MCULE-6057101925,EMOLS-id_331792314	522.682	WVJAGNZFAJIFLE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158761
CCC1(C)N(Cc2c1[nH]nc2NC(=O)c1ccccc1C)C(=O)N1CC(C)N(C[C@@H]1C)CC1CCOCC1	PC-id_122626094,SCHEMBL18155633	522.682	AAWGEWKVNKQDRX-WEFOENGGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158762
CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12)[C@H](C)c1ccc(cc1C)C#N	SCHEMBL18368001,BindingDB-id_722795,BindingDB_PC-id_124180362	522.682	SFJKRDSQIZXOJL-DWXRJYCRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158763
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)C(N(C2C(C)C)Cc1ccc(cc1)C#N)C	PC-id_134170979,SCHEMBL19772155	522.682	IIHANVWDACBNBI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158764
N#Cc1ccc(cc1)CN1Cc2c([C@H]1C(C)(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18368070	522.682	YMQWWXGWKTWMBC-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158765
N#Cc1ccc(cc1)CN1[C@@H](C(C)C)c2c(C1C)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367968	522.682	IIHANVWDACBNBI-LYIYLXCWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158766
S=c1nc2n(N=C(C2(N(c2ccc(N(CCNS(=O)(=O)C)CC)cc2)C(=O)NCCCC)C)C)[nH]1	PC-id_18721235	522.687	WFWYRXYZQZBRDR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158767
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCCC)CCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-4963638238,EMOLS-id_331933200	522.702	CDYGQPQVTSWOOK-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-158768
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CC2CCCCC2)nn1)C)C(=O)OCC	PC-id_24103027	522.704	QFALNOSXTZZNDT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158769
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCC2CCCC2)nn1)C)C(=O)OCC	PC-id_24076525	522.704	BQGFVJDJDWESML-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-158770
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)CCC2CCCCC2)nn1)C(=O)OCC	PC-id_23791566	522.704	QXAKUXSFBRYFMB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158771
Cc1n(CCCCCCn2c(C)c3c(c2C)C(CC3(C)C)(C)C(=O)N)c(c2c1C(C)(C)CC2(C)C(=O)N)C	SCHEMBL11610434,PC-id_12894324	522.765	PMQGVSACOXEERF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158772
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1C[C@@H](C2)O)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C)Cl	PC-id_134598970,SCHEMBL20252870	522.929	YMGMBUXBKFKRMQ-CQSZACIVSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158773
CC(C)C1c2c(CN1Cc1ncc(cc1F)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134171021,SCHEMBL19772201	523.043	QVBGWCNLYOSGQC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158774
CC(C)[C@H]1c2c(CN1Cc1ncc(cc1F)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19767346,PC-id_134167006	523.043	QVBGWCNLYOSGQC-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158775
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccccc2Cl)sc2CCCc2c1C#N	EMOLS-id_331919900,MCULE-3706965101	523.046	JKTIJPDQSNWFQS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158776
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)Cc2ccc(cc2)Cl)sc2CCCc2c1C#N	EMOLS-id_331931420,MCULE-1186098799	523.046	ZKPDFBSFYVNANG-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158777
Clc1ccc(C(=O)Nc2sc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_23939353	523.048	FAVKURDJZRXCDY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158778
Clc1cc(C(=O)Nc2sc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc1	PC-id_24160812	523.048	DTFMTJKTAAGQLN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158779
Clc1c(C(=O)Nc2sc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cccc1	PC-id_23905920	523.048	MLHPZLIWLGSCGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158780
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)C(=O)NC1CCC1	PC-id_134170988,SCHEMBL19772166	523.089	PNLKEFWQPASJFE-SANMLTNESA-N	00001010100000110001000010000000000000000000000000000000	25-01-158781
CCS(=O)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)C(N(C3)CC4=CC=C(C=C4)C(F)(F)F)C	PC-id_155005655	523.121	AVVDRZQQFQVEDN-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158782
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC(C)(C)CCCCC(=O)O)F	PC-id_164992002	523.169	FHFNDIAOOGDEBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158783
CC1CCC(C1NS(=O)(=O)C2=C3C=CCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278668	523.195	YONTUWPLSLPDJA-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-158784
CCC1=CC(CC=C1C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)C5=CNN=C5)NSF)OCF	PC-id_154689136	523.197	MWYCUJYHHHQWNV-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-158785
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cc(c(Br)s1)Br)C(=O)OC	MCULE-4943207039,PC-id_19205198	523.216	OYNVPOBXTFYVOS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-158786
CCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)C#CC#CC#C	PC-id_118943939,SCHEMBL17589112	523.281	OYXKYCGAKPDTJZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158787
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOCC3)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_154963653	523.291	WDSSIYQCPVYHCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158788
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_153631917	523.291	WDSSIYQCPVYHCK-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158789
CCCCCCCCCCCCCCCn1c(Br)cc2c1C=C(S2(=O)=O)Br	PC-id_140204548	523.365	UUXRNHCNBADGKM-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-158790
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_19724875	523.423	KOJXPQZCAWKZEU-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-158791
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_19729020	523.455	HJQYISACVWUWFF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158794
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)ccc1Cl	PC-id_19729300	523.455	IHIZNLXYOYVSGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158795
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C(=O)Nc1c(c(ncc1)C(C)F)F	PC-id_134599088,SCHEMBL20252989	523.48	ZBMXTPZFTQHLRM-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-158796
c1(NC(=O)CCCOc2ccc(cc2Br)CC)sc2c(CCC2)c1C(=O)NCCCOC	EMOLS-id_334387737,MCULE-8757685080	523.483	GOSCLJDXFIZUCM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158797
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/NN)/N)C(=O)Nc1cc(ncc1)C(F)F	PC-id_134302945,SCHEMBL19920663	523.483	XUPBPLPGSAWKHQ-NVNXTCNLSA-N	00001010100000101000000010000000000000000000000000000000	25-01-158798
CN(c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C(=S)Nc1ccc(cc1)OC(F)(F)F	PC-id_117999743,SCHEMBL16625077	523.485	BBPXLZNJVQBZIR-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158799
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-2127305220	523.526	BQVDMTHGASILMC-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158800
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1Nc1ccccc1	PC-id_67010377,SCHEMBL1374833	523.554	VMOKCRXCZGQSED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158801
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)[O-]	PC-id_25065642	523.569	MPAUFTNGLCXTRK-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158802
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)[O-]	PC-id_44469091	523.569	MPAUFTNGLCXTRK-MEBBXXQBSA-N	00001010100011000001001010000000000000000000000000000000	25-01-158803
CC[C@@H]1N(Cc2ccc(=O)n(n2)C(F)F)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18367955	523.576	NUFQIFRZIIBJGM-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158804
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2ccc(F)cc2)cc1)C)C(=O)OCC	PC-id_3478311	523.576	QJRDFIQNLBJBDL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158805
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2ccc(F)cc2)cc1)C)C(=O)OCC	PC-id_9622470	523.576	QJRDFIQNLBJBDL-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158806
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2c(F)cccc2)cc1)C)C(=O)OCC	PC-id_5016624	523.576	ZRBFYLSWLANDLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158807
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2c(F)cccc2)cc1)C)C(=O)OCC	PC-id_9688892	523.576	ZRBFYLSWLANDLL-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158808
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-7387878893,EMOLS-id_332716365	523.579	NDEXKRDAYHXPHR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158809
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-3142347570,EMOLS-id_332716621	523.579	DQYWMTFQBJWPBQ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158810
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(F)cc3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053500	523.579	DHFSPINXAFBFSG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158811
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(OC)cc3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053738	523.579	XQJILEYFRNQQDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158812
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(OC)ccc3)n(nc2C1)CC(=O)NCc1ccc(F)cc1	PC-id_44053737	523.579	DACKYIZAXRZRAA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158813
c1(NC(=O)COc2cn(c(cc2=O)CSc2nnnn2C)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331790007,MCULE-2812858630	523.587	OWOZTFKTCSUDFU-UHFFFAOYSA-N	00000010101000101001000010000000000000000000000000000000	25-01-158814
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_25065645	523.589	HEZGNANCZMBLSH-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158815
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_44468958	523.589	HEZGNANCZMBLSH-MLGOLLRUSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158816
CC[C@H]1N(Cc2cccc(c2)C(F)(F)F)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368114	523.591	PSRQCIKFLKDNIL-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158817
CCOC(=O)[N+]1(N=C(c2c1scc2)NC(=O)c1ccc(cc1)F)C(=O)NC(c1ccccc1)(CC)CC	SCHEMBL746263,PC-id_66787758	523.599	TZTXXHQHVMUBDS-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-158818
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc(cc1)C(=O)OCCCC	PC-id_16948055	523.601	ZUKYURXLIFLQQH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158819
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-4145457393,EMOLS-id_323200411	523.602	SOGPPIFDKQNTPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158820
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)Cc2ccccn2)sc2CCCc2c1C#N	EMOLS-id_331930138,MCULE-3015419553	523.604	QGFGJOHKISYMIA-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158821
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)Cc2cccnc2)sc2CCCc2c1C#N	MCULE-2670050683,EMOLS-id_331920158	523.604	IEEWCBUWAZTUIG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158822
c1(NC(=O)COc2cn(c(cc2=O)CN(CCO)CCO)Cc2ccncc2)sc2CCCc2c1C#N	EMOLS-id_331926297,MCULE-6258511669	523.604	MKZWOBNDSDGJIF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158823
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(cc2)F)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_332716363,MCULE-9563385430	523.622	CJTUYHYNMZFYJP-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158824
c1(NC(=O)COc2cn(c(cc2=O)CNc2ccc(C)c(F)c2)CCN(C)C)sc2CCCc2c1C#N	MCULE-8554586472,EMOLS-id_332716364	523.622	YSICFEDEQIKMFA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158825
c1(NC(=O)COc2cn(c(cc2=O)CNc2cccc(F)c2)CCCN(C)C)sc2CCCc2c1C#N	MCULE-5115773252,EMOLS-id_332716619	523.622	VSOTYAPTXHDBLA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158826
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)c1cc2CCCc2n1Cc1ccccc1	EMOLS-id_328218232,MCULE-7225508602	523.622	MLBFHADPRMJBTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158827
CC(C)(C)OC(=O)NCCC(c1c2NCCn2nc1)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	SCHEMBL4199301,PC-id_136409255	523.626	OUOXPBKGCNCOGE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-158828
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCN(CC2)c2ccccn2)sc2CCCc2c1C#N	EMOLS-id_333771860,MCULE-6085547231	523.627	IJOSMQHTFPKDFD-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-158829
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCNC(=O)C)sc2CCCc2c1C#N	EMOLS-id_331788732,MCULE-1774214561	523.627	CBEIYBDXBHQIAE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158830
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CC2CCCO2)sc2CCCc2c1C#N	MCULE-9224277313,EMOLS-id_331791281	523.627	VNTIFWCZMSAYAB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158831
s1c2c(CCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCC3)c2C(=O)NC)ccc1)C(=O)NC	PC-id_16833755	523.627	FDJFQJWRZLKGDL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158832
FC(OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)F	SCHEMBL19537530	523.639	FJPPUPYBJFYYMY-GOSISDBHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158833
OCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(F)F	SCHEMBL19537512	523.639	JEUSTRAZKIZGHO-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158834
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCN2CCCC2=O)sc2CCCc2c1C#N	MCULE-1533360440,EMOLS-id_331919890	523.647	XSBFTPQXRKGVTM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158835
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCCCCO)sc2CCCc2c1C#N	MCULE-5093013514,EMOLS-id_331788730	523.667	SSPVRSSGWONQGJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158836
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccc(cc2)C)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331791280,MCULE-8099633643	523.667	FPZRERCDJKSEHE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158837
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccc2)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331787199,MCULE-2303565102	523.667	QQTDQQKHEBDYHK-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158838
c1(NC(=O)COc2cn(c(cc2=O)CSCc2ccccc2)CCCOC)sc2CCCc2c1C#N	EMOLS-id_331791792,MCULE-5798350191	523.667	MREDCSPSVXAXEL-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158839
c1(NC(=O)COc2cn(c(cc2=O)CSCC)CCc2ccc(OC)cc2)sc2CCCc2c1C#N	EMOLS-id_331790257,MCULE-1892962710	523.667	FMGITPJVPLNDFA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158840
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)C)Cc2ccc(OC)cc2)sc2CCCc2c1C#N	MCULE-7511177356,EMOLS-id_331792316	523.667	SRORYSOELHCCGC-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158841
c1(NC(=O)COc2cn(c(cc2=O)CSC(C)(C)C)Cc2ccc(O)cc2)sc2CCCc2c1C#N	EMOLS-id_331788478,MCULE-5682386638	523.667	UQBCERKUEZDAPE-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158842
c1(NC(=O)COc2cn(c(cc2=O)CSCCO)CCc2ccc(C)cc2)sc2CCCc2c1C#N	EMOLS-id_331791540,MCULE-3438515292	523.667	RSTDMELBUGYRIY-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158843
CC(C)(C)c1ccc(cc1)CNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	PC-id_89237896,SCHEMBL14056556	523.667	PYYIFQWDJSATAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158844
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCCN(C)C)sc2CCCc2c1C#N	MCULE-9887456450,EMOLS-id_331791289	523.67	XPGCRAFWLVHWEH-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158845
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCCCCC)sc2CCCc2c1C#N	MCULE-2079974268,EMOLS-id_331791037	523.67	APXKEZUVEFDBIT-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158846
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2(C)C(C)C)Cc1ncc(cc1)C#N	PC-id_87056602	523.67	ULAKIMWSPSQNTB-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158847
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@@H](C)c1ncc(cc1)C#N	PC-id_134171004,SCHEMBL19772184	523.67	SGMMQLGAKAGVOZ-LFUZPPSTSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158848
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(CN(Cc4ccc(cn4)C#N)[C@@]3(C)C(C)C)s2)cc1	BindingDB_PC-id_87056602,SCHEMBL16224762,BindingDB-id_722819	523.67	ULAKIMWSPSQNTB-SANMLTNESA-N	00000010100000111001000010000000000000000000000000000000	25-01-158849
[C-]#[N+]c1ccc(nc1)CN1Cc2c([C@]1(C)C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	PC-id_140763633	523.67	FDJGQCNSMMHNKK-SANMLTNESA-N	00000010100000111001000010000000000000000000000000000000	25-01-158850
N#Cc1ccc(nc1)[C@H](N1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC)C	SCHEMBL18368023	523.67	SGMMQLGAKAGVOZ-NSYGIPOTSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158851
N#Cc1ccc(nc1)[C@@H](N1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC)C	SCHEMBL18368034	523.67	SGMMQLGAKAGVOZ-GKVSMKOHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-158852
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCC2)CCCCN2CCCC2)sc2CCCc2c1C#N	EMOLS-id_331930395,MCULE-4690804111	523.69	ZTRLJNAOPDWWEM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158853
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCN(CC)CC)sc2CCCc2c1C#N	EMOLS-id_331928082,MCULE-8014851913	523.69	FYMQZUMBGIAKIK-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158854
CCCCCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1cccc(c1)C(=O)OCC)CC	PC-id_20405024,SCHEMBL11005324	523.703	OUJDSEGNXIBTMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158855
CCCCCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)C1C=CC=C(C1=C=O)OCC)CC	SCHEMBL11266383,PC-id_88751708	523.703	LRQVIGSCXGUGBN-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-158856
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cccc(c1)C1CC1	SCHEMBL19772123,PC-id_134170950	523.71	YPGHSFVQGDXJSI-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158857
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cccc(c1)C1CC1	SCHEMBL18368099	523.71	YPGHSFVQGDXJSI-HHHXNRCGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158858
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C4CC4)Cc3s2)cc1	PC-id_145713341,BindingDB-id_722774,BindingDB_PC-id_145713341	523.71	GWHYXQHMCLAJFW-MHZLTWQESA-N	00100010100000110001100010000000000000000000000000000000	25-01-158859
OCC1(CCC1)C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817160	523.742	ZJVOROSKLLDUQD-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158860
OC[C@@H]1[C@@H](C)n2c([C@@]1(O)C(Cl)(Cl)Cl)c(c(c2Cl)Br)I	PC-id_102046439	523.804	BLNZGKYBVOKCRS-DASPXTJNSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158861
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)c(Cl)cc1	PC-id_44053696	523.806	MEGGYNJQOHYIQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158862
c1(NC(=O)C(C)Oc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8762371026,EMOLS-id_334339498	523.827	OUJXIIBAWLOSMV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-158863
Clc1ccc(c2ccc(S(=O)(=O)NC(CCCn3c(O)c4n(c3=O)CSC4)C(=O)O)cc2)cc1	PC-id_76089323	524.01	JVWLRMQCRWGLSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158864
Clc1ccc(c2ccc(S(=O)(=O)N[C@@H](CCCn3c(O)c4n(c3=O)CSC4)C(=O)O)cc2)cc1	PC-id_53977343	524.01	JVWLRMQCRWGLSD-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158865
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc1	PC-id_44053882	524.034	XXMREEQELOLVNW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158866
Clc1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1	PC-id_20167433	524.036	BEBDQHZDVZNDAG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158867
C=C(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C(F)(F)F	PC-id_163748250	524.128	LNSZKNRYOMFZJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158868
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2C)C(=O)C(=O)NC4(CC(C4)(F)F)C5=NN=CS5)C#N	PC-id_160495136	524.144	TYSFYHBKZSCLCC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158869
CC1=C(C=CC(=C1NC(=O)N=S(=O)(C2=C3N(CC(O3)(C)C)N=C2)N)C4=CC(=NC=C4)OC)C(F)(F)F	PC-id_165369740	524.145	BPWQRHXSPXJBCW-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-158870
CC1=C(N2C(=C1C(=O)CNC3(CC(C3)(F)F)C(=O)NC)CCC2(C)C)C(=O)NC4=CC(=C(C=C4)F)Cl	PC-id_151806960	524.18	RZURWNNFYAUUGO-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158871
B1(OC2=C(O1)C(=O)OC2C(CO)O)[C@H](CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC=CN=C4	PC-id_164911870	524.208	GYIZKEQQSDMERE-JATUMROWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158872
B1(OC2=C(O1)C(=O)OC2C(CO)O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=NC=CN=C4	PC-id_164911885	524.208	GYIZKEQQSDMERE-VHBXLISGSA-N	00000011100000110001000010000000000000000000000000000000	25-01-158873
CC[C@H](C)C(CN/C(=C(NC)/SC)/CC)SC(C=O)[C@H](C)/C(=CC)/c1nc2c(n1C)C=[SiH]S2	PC-id_164011443	524.213	UROXQCTWJDERAR-LAHZZXTDSA-N	00000001100000000001000010000000000000000000000000000000	25-01-158874
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(P(=O)(O)O)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_67236833,SCHEMBL1983098	524.294	GFALFZJFOPTFQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158875
CC[C@H]1CN(C[C@H](O1)CC)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5)C)F)C	PC-id_153575561	524.316	GTJGDZSNNFYBJL-PSWAGMNNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158876
Brc1cc(/C=C/C(=O)Nc2sc3c(C(CC3)C(=O)OC)c2C(=O)OC)cc(OC)c1OC	PC-id_19202144	524.382	LAHXVNQNGZRYIN-VMPITWQZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158877
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1cc(OC)c(c(Br)c1)OC)C(=O)OC	MCULE-6136842415,PC-id_73568434	524.382	LAHXVNQNGZRYIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158878
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-2965242842,PC-id_24224105	524.405	LCHSPKVXDMQPOR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-158879
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-6038201923	524.418	YVTQZUYUURRMOZ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158880
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-1345389255	524.418	IOTDHULFFXQVGR-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158881
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-7596052954	524.418	ODGKJUWOSFUCKV-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158882
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccc(cc1Cl)Cl)c2=O)Cc1ccccc1	MCULE-5604629437	524.418	HFOABIFVRHYRSE-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158883
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1Br)CC)C(=O)OC	MCULE-2211709246,PC-id_19202147	524.425	ZNWVSUOOLOMWSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158884
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1C(C)(C)C)Br)C(=O)OC	PC-id_19171977,MCULE-7792244346	524.425	MGOBWWVXHQHAGI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158885
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cc(C)c(cc1C(C)C)Br)C(=O)OC	MCULE-7454874544,PC-id_19202152	524.425	ZIVIVCQDOBBKHL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158886
OCCOCCn1c(=O)c2c(n1C)NC(N2Cc1cccc(c1)OC)Oc1cccc(c1)OC(F)(F)F	SCHEMBL18835192	524.49	JCQCMKKVGVMPIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158887
FC(F)(F)c1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCN(CC2)CCOCCO)(C)C)cc1	PC-id_10414458	524.536	CXRCBSMLQFNYRE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158888
FC(F)(F)Oc1ccc(CN2CCC(N3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_23081343,SCHEMBL5537326	524.536	QFEMNEHQSNGAII-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158889
FC(F)(F)Oc1ccc(CN2CCC(N3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5537322,PC-id_69479799	524.536	QFEMNEHQSNGAII-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158890
FC(F)(F)Oc1ccc(CN2CCN(C3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69479008,SCHEMBL5534363	524.536	CUKAYYDOANXKDV-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158891
FC(F)(F)Oc1ccc(CN2CCN(C3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5534366,PC-id_23081498	524.536	CUKAYYDOANXKDV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158892
CS(=O)(=O)CC1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(=N4)CS(=O)(=O)C)n2C1=O	NSC625846,ZINC22_6017645,CoCoCo_5683690,PC-id_362242	524.574	ILLSAKAQRZKXAU-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-158893
S1C2N(C(=O)C2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_25065643	524.577	MPAUFTNGLCXTRK-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158894
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC)c2nc(sn2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_44469092	524.577	MPAUFTNGLCXTRK-MEBBXXQBSA-O	00001010100011000001001010000000000000000000000000000000	25-01-158895
C[C@H]1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)NC	SCHEMBL19772040,PC-id_134170870	524.579	TUAGUCRDKBBYHP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158896
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCC(CC1)(F)F	PC-id_89238853,SCHEMBL14057681	524.604	YNGBIASJBDUUCT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-158897
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331924243,MCULE-3798705211	524.607	TXGQMAIQHIYIGW-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158898
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)Cc2ccccc2F)sc2CCCc2c1C#N	MCULE-4672725932,EMOLS-id_331931423	524.607	NXDHORSRIQQLAF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158899
c1(NC(=O)COc2cn(c(cc2=O)CN(C)CCO)CCc2ccc(cc2)F)sc2CCCc2c1C#N	EMOLS-id_331927064,MCULE-5440858818	524.607	PPAOVFJOOIPMBF-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-158900
CCOC(=O)N1NC(c2c1scc2)(NC(=O)c1ccc(cc1)F)C(=O)NC(c1ccccc1)(CC)CC	SCHEMBL746262,PC-id_66787757	524.607	ZHZBIKHESYOTMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158901
c1(NC(=O)c2ccc(cc2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)sc2c(CCC2)c1C(=O)OC	EMOLS-id_4183164,CoCoCo_6803796,ZINC22_2748357,MCULE-7664081543,TIMTEC504794,PC-id_3656936	524.609	VMVZTZVAVKQZGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158902
s1c2c(CCC2)c(c1NC(=O)c1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1)C(=O)OC	PC-id_4161537	524.609	YZMCAGKLWSSMNX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158903
s1c2c(CCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1)C(=O)OC	PC-id_4652333	524.609	JAZVQGPNKBOWJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158904
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CS(C1)(O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484940,PC-id_135315456	524.61	BZGNOSDXWQXHDC-JOCHJYFZSA-N	00001010100000000001100010000000000000000000000000000000	25-01-158905
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)C1CS(C1)(O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484945,PC-id_135315459	524.61	BZGNOSDXWQXHDC-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-158906
c1(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCN(CC2)c2ncccn2)sc2CCCc2c1C#N	MCULE-4678727504,EMOLS-id_333773652	524.615	VFBKJVPYYAOZPR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158907
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCNC(=O)C)sc2CCCc2c1C#N	MCULE-9763886306,EMOLS-id_331792059	524.615	ZPPGFKAXCWUDPI-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158908
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCC)CCO)Cc2ccco2)sc2CCCc2c1C#N	EMOLS-id_331925279,MCULE-8158088157	524.632	YIQSAOJYUGIMID-UHFFFAOYSA-N	00000010101000101000000010000000000000000000000000000000	25-01-158909
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC(=O)NCc2ccccc2)C1	PC-id_44053404	524.632	FMZBQJYQUQRJGN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158910
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCCn2ccnc2)sc2CCCc2c1C#N	MCULE-4773092537,EMOLS-id_331934994	524.635	OFJKXJSXSHTNPE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158911
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCCCCO)sc2CCCc2c1C#N	MCULE-8200875145,EMOLS-id_331789754	524.655	PQOKBSRATZCBEY-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158912
c1(NC(=O)COc2cn(c(cc2=O)CSc2ccccn2)CCCOCC)sc2CCCc2c1C#N	EMOLS-id_331788223,MCULE-1238932661	524.655	CYMWTYCCWIWTJW-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158913
COC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)c(C(=O)N3CCCCC3)c2N)sc2c1CCC2	ZINC22_3287706,MCULE-2304036575,EMOLS-id_48981037,GD-id_ZINC03287706,CoCoCo_3773744,PC-id_2403218	524.655	AWESZLOLJOGRCM-UHFFFAOYSA-N	00000010100110110000000010000000000000000000000000000000	25-01-158914
c1(NC(=O)COc2cn(c(cc2=O)CSc2ncccn2)CCCN(C)C)sc2CCCc2c1C#N	EMOLS-id_331790521,MCULE-7356932795	524.658	QGPFSCCRZUTBMN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-158915
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1[nH]nc(c1)C1CC1)C	SCHEMBL597436,PC-id_66738902,BindingDB_PC-id_66738902	524.658	SHCJALQXTGLGKY-SJORKVTESA-N	00100010100010000001100010000000000000000000000000000000	25-01-158916
C[C@H]1CN(CCN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncn(c1)C1CCC1)CC1CCOCC1	PC-id_59508180,SCHEMBL6378479	524.658	SELZCIIRRBGIGI-SFHVURJKSA-N	00001010100010000001100010000000000000000000000000000000	25-01-158917
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4n[nH]c(C5CC5)c4)c3C2)(C)C)C)CC1	PC-id_77182949	524.658	SHCJALQXTGLGKY-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-158918
O1CCC(CN2CC(N(CC2)C(=O)N2C(c3[nH]nc(NC(=O)c4ncn(C5CCC5)c4)c3C2)(C)C)C)CC1	PC-id_72310319	524.658	SELZCIIRRBGIGI-UHFFFAOYSA-N	00001010100010000001100010000000000000000000000000000000	25-01-158919
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CC2CCCO2)sc2CCCc2c1C#N	MCULE-4812751561,EMOLS-id_331923231	524.675	QVOKRMYHIQFXPH-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-158920
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCCCCO)sc2CCCc2c1C#N	EMOLS-id_331935252,MCULE-4957384093	524.675	NQFBWBYVFGIDBE-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158921
c1(NC(=O)COc2cn(c(cc2=O)CN(CC=C)CC=C)CCCOC(C)C)sc2CCCc2c1C#N	MCULE-5948699023,EMOLS-id_331928342	524.675	JVZDTGDLYLNBNF-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158922
c1(NC(=O)COc2cn(c(cc2=O)CN(CC)CCO)CCC2=CCCCC2)sc2CCCc2c1C#N	MCULE-6068389946,EMOLS-id_331933712	524.675	VSQZAJBKRMCNAQ-UHFFFAOYSA-N	00000010100011101000000010000000000000000000000000000000	25-01-158923
s1c2CN(N(C(=O)CN(CC(=O)NCCCC(C)C)c3c(ccc(c3)c3nc(on3)C)C)C)Cc2cc1	PC-id_58135260	524.678	NILRWEJZDGYBPZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158924
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)/C=C(/c1ccccc1)O	PC-id_140817128	524.684	GLMKMOLEOJWWAG-SILNSSARSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158925
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)CC(=O)c1ccccc1	PC-id_140817017	524.684	IKRKTWUTYQLNDU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-158926
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C(=O)OCC	PC-id_20124830	524.698	AIAMJAHVHHEUGY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158927
c1(NC(=O)COc2cn(c(cc2=O)CN2CCCCC2)CCCCCCCC)sc2CCCc2c1C#N	MCULE-1797993962,EMOLS-id_331926044	524.718	BZKOSIBPUNXDNX-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-158928
c1(NC(=O)COc2cn(c(cc2=O)CN2CC(C)CC(C)C2)CCCCCC)sc2CCCc2c1C#N	EMOLS-id_331932945,MCULE-2976480365	524.718	IWYBTFXJPRJQHO-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-158929
c1(NC(=O)COc2cn(c(cc2=O)CN(CCCCCC)CCCC)CC=C)sc2CCCc2c1C#N	EMOLS-id_331924501,MCULE-8678127230	524.718	WJMFQZUSMGMDDZ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-158930
O=C(CCc1nnc2s/c(=C/c3ccccc3[N+](=O)[O-])/c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl	ZINC22_104286345	524.764	KOFGADPCOVJNNA-FRKPEAEDSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158931
O=C(CCc1nnc2s/c(=Cc3ccccc3[N+](=O)[O-])/c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl	ZINC22_1624497,NSC635536	524.764	KOFGADPCOVJNNA-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158932
Cc1cccc(n1)CCCCCC1(CCCCC1)C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)C	SCHEMBL15926054,PC-id_90321034	524.813	WKJYDVQSWSDSQB-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-158933
Fc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC(F)(F)C3)c3c[nH]nn3)n3CCCc23)cc1F	BindingDB-id_980757,PC-id_139507446,SCHEMBL21378311	524.855	AVOGZMNKISRKOW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158934
Clc1ccc(NC(=O)N2C(c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cccc3)cc2F)cc1	PC-id_73225340	524.907	OSUBLRKXZBOJCQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-158935
Clc1ccc(NC(=O)N2[C@H](c3c(n(nc3)C)C2)C(=O)Nc2c(F)cc(n3c(=O)cccc3)cc2F)cc1	SCHEMBL4598360,PC-id_16042942	524.907	OSUBLRKXZBOJCQ-HSZRJFAPSA-N	00000010100000111001100010000000000000000000000000000000	25-01-158936
Cc1c(c(c(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C)F)Cl	SCHEMBL20252979,PC-id_134599078	524.92	HAVBCUSMQUZJRE-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158937
CN(C)C(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12	PC-id_134586593,SCHEMBL20238923,BindingDB-id_799424	524.92	NFQNMIXXNIFVBC-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158938
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2C(C)CCc12	PC-id_134285240,SCHEMBL19900955,BindingDB-id_799324	524.92	UJVMJTAAMFPEEX-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158939
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@@H](C)CCc12	SCHEMBL19920541,PC-id_134302830,BindingDB-id_799329	524.92	UJVMJTAAMFPEEX-NSHDSACASA-N	00001010100000110000000010000000000000000000000000000000	25-01-158940
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@H](C)CCc12	SCHEMBL19920544,BindingDB-id_799328,PC-id_134302833	524.92	UJVMJTAAMFPEEX-LLVKDONJSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158941
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/NN)/N)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302891,SCHEMBL19920606	524.923	DXVHLBLWJCJSND-PXNMLYILSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158942
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408604612	524.961	HIDRVELWAOAAIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158943
CCOC(=O)c1c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408615342	524.961	PEPKHKCHXBPKSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158944
C1C/C(=CCOC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl)/C3=C1C=NN3CC4=C(C=C(C=C4)Cl)Cl	PC-id_149663167	525.008	ALOWUVRLSMPXSF-NTEUORMPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158945
Clc1cc(OCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc1F	PC-id_17304325	525.016	XYQMEAZFISBENW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158946
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc1F	PC-id_21164580	525.016	UUFXEHFSDFEZNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158947
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc(F)c1	PC-id_19633943	525.016	OGWDUZSBWNZGMG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158948
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc(F)c1	PC-id_19633836	525.016	MGWZUZKDJBXRBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158949
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)ccc(F)c1	PC-id_17307099	525.016	PPQPAEZJMCTVOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158950
Clc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(F)ccc1	PC-id_24946436,SCHEMBL1985035	525.018	OTQVMAGPAWADLO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158951
ClC1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1Cc2c(C1=O)scc2	SCHEMBL11225179,PC-id_56612858	525.041	IGWDDIHPTPJLGY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-158952
N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(NCCCO)cc2Cl)sc2c1CCC2	BindingDB_PC-id_44324389,BindingDB-id_154665,PC-id_44324389,CHEMBL330337	525.041	FOOAFKITLZNIPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-158953
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-7913888308	525.059	TVSGSLZHGVGWMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158954
c1(NC(=S)NNC(=O)C2CCN(CC2)Cc2ccc(cc2Cl)F)sc2c(CCC2)c1C(=O)OC	MCULE-5297710652,PC-id_2956693,TIMTEC78800,CoCoCo_998164,EMOLS-id_2471870,CoCoCo_998163	525.059	BLNVCCUEKZYKFW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-158955
COCCCNC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)sc2CCCc12	EMOLS-id_334388244	525.059	TVSGSLZHGVGWMI-NTCAYCPXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158956
Clc1ccc(C2(CCCC2)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc1	PC-id_44053493	525.062	ATJIQQMMNSFIOK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158957
CC(C1=CC=C(C=C1)C(=O)[O-])NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC4=CC=C(C=C4)C(F)(F)F	PC-id_153680939	525.137	UETDGZYHPIKQKO-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-158958
COCCOC1=CC=CC=C1C(CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164872249	525.149	BUHRFDFUBOEAGK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158959
COCCOC1=CC=CC=C1[C@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931904	525.149	BUHRFDFUBOEAGK-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158960
COCCOC1=CC=CC=C1[C@@H](CO)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931962	525.149	BUHRFDFUBOEAGK-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158961
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=CC(=C(C=C4)C#N)F	PC-id_161029360	525.156	TZJZMULZAVHPEC-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-158962
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)C(F)F	PC-id_161571359	525.169	WPRJFHBIALRVKI-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158963
C1CC2=C(C=CN2C1)CC3=NC=C(C=N3)C4=CC(=C(C=C4)CC(=O)NC5=NOC(=C5)C6(CC6)C(F)(F)F)F	PC-id_160862991	525.179	YWWNXGZOZIZKIJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-158964
CC1CCC(C1NS(=O)(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278713	525.211	MBEUSWOGJPZVRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158965
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F)c2=O	MCULE-6514619432	525.298	GWLHYWXDVPEEDK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158967
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C(F)(F)F)c2=O	MCULE-8135159678	525.298	KFURPQSDEBZAQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158968
O=C(COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O)Nc1ccccc1C(F)(F)F	ZINC22_256055541,PC-id_117588406	525.298	KFURPQSDEBZAQI-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158969
O=C(COc1ccc(Br)cc1/C=c/1sc2ncnn2c1=O)Nc1cccc(C(F)(F)F)c1	ZINC22_256055431,PC-id_117588407	525.298	GWLHYWXDVPEEDK-APSNUPSMSA-N	00000000100000110001000010000000000000000000000000000000	25-01-158970
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)OC	PC-id_3557632	525.309	XCAMTWCUIAZPGB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-158971
Ic1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18498347	525.358	LXAWJKDNYNYNJK-FBMWCMRBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158972
Ic1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18729942	525.358	LXAWJKDNYNYNJK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-158973
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC)C	PC-id_20176668	525.406	ASAHRJDRSCYBBD-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-158974
Brc1oc(c2n(CCC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_19725030	525.439	RBVZFRFKPMHSRB-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-158975
Brc1oc(c2n(C(C)C)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_19725184	525.439	WWFCFWKQWPFGBA-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-158976
Brc1oc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_19724721	525.439	DTIFXCDDUDFTDH-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-158977
Clc1c(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc(Cl)c1	PC-id_17264984	525.471	NXQJUZZJFNFSDM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158978
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc1Cl	PC-id_19729191	525.471	DXFPERMBHMPUGE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-158979
N/C=C(/C1(NC(=O)C(=O)c2c(C)c(n3c2CCC3)C(=O)Nc2ccc(c(c2)C(F)F)F)CC(C1)(F)F)N	PC-id_142295091	525.471	NAURPRKJHCXVMD-PXNMLYILSA-N	00001010100000110000000010000000000000000000000000000000	25-01-158980
Brc1cc(c(OCC(C)C)cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_17051133	525.479	MBWBVNNNKYIPSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158981
Brc1cc(c(OCCC(C)C)cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_17351001	525.479	VBPCPGDPWSXGHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158982
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCCC)cc1	PC-id_17350396	525.479	CHKKYQWWAKWFGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158983
Brc1c(OCCC(C)C)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_17339632	525.479	JLXPJEFZDZNMEN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158984
Brc1c(OCC(C)C)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_17352206	525.479	YSRLXJMOOUBUOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158985
Brc1c(OCCCC)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_4956026	525.479	QRZRMANRYBMVQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158986
Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cn(C)nn1	PC-id_139507419,BindingDB-id_980708,SCHEMBL21378282	525.482	XYLRIUHICGCYBZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-158987
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_18848834,MCULE-5960263967	525.488	GIFOEKWKAHJFFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158988
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-5279274029	525.499	AWABZFKGDWMACY-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158989
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(C(C1)Cc1ccc(cc1)C(F)(F)F)C(=O)[O-]	SCHEMBL6010854,PC-id_69635395	525.501	ONFUMSNYZHOLIP-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-158990
CN(CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN([C@H](C1)Cc1ccc(cc1)C(F)(F)F)C(=O)[O-]	PC-id_69635400,SCHEMBL6010858	525.501	ONFUMSNYZHOLIP-HXBUSHRASA-M	00000010100010110001000010000000000000000000000000000000	25-01-158991
CC1CCN(CC1)C(=O)N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F	SCHEMBL19413396	525.514	HVNNEHAHKDVDPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158992
FC(F)(F)Oc1ccc(OC2CCN(C3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69482151,SCHEMBL5545616	525.521	UPKOXFBSMJQIBK-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158993
FC(F)(F)Oc1ccc(OC2CCN(C3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77659801	525.521	UPKOXFBSMJQIBK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-158994
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCc2ccc(F)cc2)cc1)C(=O)OC	PC-id_19658775	525.549	CGTRXFWKXLWFMB-XODNFHPESA-N	00000010100000110000000010000000000000000000000000000000	25-01-158995
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1)C(=O)OC	PC-id_73633276	525.549	CGTRXFWKXLWFMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158996
C=CC(=O)Nc1oc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(c(c1)OC)OC	PC-id_89236352,SCHEMBL14054715	525.573	UHNGQAKXXWOZDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-158997
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-3625726955	525.575	PQZFTUKLRLORQY-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158998
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-5874240425	525.575	GMCICCHFHTXRGX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-158999
s1c2c(CCC2)c(c1NC(=O)c1ccc(nc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_4625313	525.597	OSIYLXPIABLUFN-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-159000
s1c2c(CCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1)C(=O)OC	PC-id_4420618	525.597	GJWBYHLXPLISAX-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-159001
s1c2CCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccc(cc2)C)c(OC)cc1)C#N	PC-id_16497318	525.597	KKXSKHDYRFXNEV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159002
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)C(=O)OCC)C2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-1061998723,EMOLS-id_334335912	525.617	IPBKZCGZSUAJML-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-159003
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CC2C(C1)C2N)C	SCHEMBL20484921	525.62	XQAFLYVRWVCWID-IWIIVMTJSA-N	00100010100000110001010010000000000000000000000000000000	25-01-159004
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CC2C(C1)C2N)C	SCHEMBL20485292	525.62	XQAFLYVRWVCWID-UHFFFAOYSA-N	00100010100000110001010010000000000000000000000000000000	25-01-159005
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1coc(n1)C1CC1)C	PC-id_66738958,SCHEMBL597597	525.643	YRWBSFKJCVJZID-SJORKVTESA-N	00100010100010000001100010000000000000000000000000000000	25-01-159006
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1noc(c1)C1CC1)C	SCHEMBL597449,PC-id_66738905,BindingDB_PC-id_66738905	525.643	IHNCBCKYYHOQRX-SJORKVTESA-N	00100010100010000001100010000000000000000000000000000000	25-01-159007
COc1cccc(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)N(C[C@@H]1C)CC1CCOCC1	PC-id_122626095,SCHEMBL18155634	525.643	LHODELYFFZUQMF-ZVAWYAOSSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159008
COc1cccc(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_66739301,SCHEMBL598992	525.643	LHODELYFFZUQMF-MSOLQXFVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159009
COc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	SCHEMBL597133,PC-id_66738839	525.643	AFJBPYHUCFOBFZ-MSOLQXFVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159010
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4ncc(OC)cc4)c3C2)(C)C)C)CC1	PC-id_77182940	525.643	AFJBPYHUCFOBFZ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159011
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4nc(oc4)C4CC4)c3C2)(C)C)C)CC1	PC-id_77182974	525.643	YRWBSFKJCVJZID-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-159012
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4nc(OC)ccc4)c3C2)(C)C)C)CC1	PC-id_77183079	525.643	LHODELYFFZUQMF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159013
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4noc(C5CC5)c4)c3C2)(C)C)C)CC1	PC-id_77182950	525.643	IHNCBCKYYHOQRX-UHFFFAOYSA-N	00100010100010000001100010000000000000000000000000000000	25-01-159014
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1ccccc1	PC-id_44053446	525.643	KHCWPRFAJPEZPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159015
CC(NCCNC(=O)CN(c1cc(ccc1C)c1noc(n1)C)CC(=O)N(N1Cc2c(C1)ccs2)C)C	PC-id_68183554,SCHEMBL11973979	525.666	GTJDGFRXXVTJTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159016
s1c2CN(N(C(=O)CN(CCNC(C)C)C(=O)CNc3c(ccc(c3)c3nc(on3)C)C)C)Cc2cc1	PC-id_66881076	525.666	UKIGNYAUQMVUMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159017
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCC(CC1)(F)F	SCHEMBL18367854	525.675	ZAKUAQBRLRSHJF-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159018
c1(NC(=O)c2ccc(cc2)F)sc2c(CCC2)c1CN1CCN(CC1)C(c1ccccc1)c1ccccc1	EMOLS-id_6890096,CoCoCo_4651624,CoCoCo_4651625,MCULE-9606491488,ZINC22_22033211,PC-id_2241433	525.679	FXAMGZTXCIPALH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159019
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(=O)C)Cc3s2)cc1	PC-id_145713342,BindingDB_PC-id_145713342,BindingDB-id_722775	525.683	FDEZNZYNYDDDIC-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-159020
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccc(cc1)C)CC=C)C(=O)OCC	PC-id_17047667	525.686	ILILCOLBSHBDKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159021
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC=C)C(=O)OC	PC-id_19641975	525.686	DXLCDDULWKZIBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159022
CCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817132	525.715	PDWSRCQQCKBVKI-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159023
Cc1c(c(nn1C(CCC(C)C1CCn2c1cc(n2)C(C)C)CCC(C)c1nc(n[nH]1)C(C)C)C(C)C)F	SCHEMBL19805351,PC-id_134201582	525.747	CSTVXDNOBWHRNZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-159024
COCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(C)C	PC-id_140817097	525.758	QWETZFVZKNJNTC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159025
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(=O)(=O)C)sc2c1CCC2	ZINC22_408623732	525.854	YTTJYZASRBCTCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159026
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2ccc(Cl)cc2)c1	PC-id_19676893	525.87	JAITYLXBJMJKCB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159027
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2)c1	PC-id_20171522	525.87	LEMMRGYCEBCAQV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159028
Clc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1	PC-id_4615610	525.961	PKLNMSAWPMINDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159029
Clc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1	PC-id_9679380	525.961	PKLNMSAWPMINDS-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159030
Clc1c(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cccc1	PC-id_19659599	525.961	QIJDFTBAABEEGM-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159031
Clc1c(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cccc1	PC-id_73634083	525.961	QIJDFTBAABEEGM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159032
Clc1c(C(=O)Oc2c(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cccc2)cccc1	PC-id_17387917	525.961	KOLKFOYUIIXQMB-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159033
Clc1c(C(=O)Oc2c(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cccc2)cccc1	PC-id_73385815,MCULE-9556086315	525.961	KOLKFOYUIIXQMB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159034
COC(=O)c1c(NC(=O)C(=O)N/N=Cc2ccccc2OC(=O)c2ccccc2Cl)sc2c1CCC2	PC-id_98458679	525.961	KOLKFOYUIIXQMB-WKIKZPBSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159035
Clc1c(c2noc(c2C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)C)cccc1	PC-id_44053642	525.982	CBFLSAMOIPRQET-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159036
Clc1ccc(OCc2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_5090791	525.982	QNSTVYFLBBPYJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159037
Clc1ccc(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)cc1	PC-id_5141968	526.004	FYNBSAMTJDYMNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159038
Clc1ccc(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)cc1	PC-id_9609346	526.004	FYNBSAMTJDYMNA-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159039
Clc1ccc(COc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cc1	PC-id_19658721	526.004	GHJPHRNUEVAAPO-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159040
Clc1ccc(COc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cc1	PC-id_73633222	526.004	GHJPHRNUEVAAPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159041
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)cccc1	PC-id_19659594	526.004	KAQMBXNJXYNLKI-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159042
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)cccc1	PC-id_73634078	526.004	KAQMBXNJXYNLKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159043
Clc1c(COc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_19661140	526.004	LZQIVNMISJHBGN-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159044
Clc1c(COc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_73635580	526.004	LZQIVNMISJHBGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159045
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(F)ccc1	PC-id_67236901,SCHEMBL1983315	526.006	QNPANGJYKFDOOO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159046
CC[C@@H]1N(Cc2ccc(cc2)Cl)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(F)F	SCHEMBL18367942	526.019	QGJQFRZUORNFTI-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159047
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_16924122	526.025	FFHAGNISNWXFMW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159048
Clc1c(C[NH+]2CCC(CC2)C(=O)NNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)ccc(F)c1	GD-id_ZINC16346973,PC-id_27076725	526.067	BLNVCCUEKZYKFW-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-159049
CC(C)(CCCCC(=O)O)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C(=C3)F)F)F)Cl	PC-id_165025693	526.148	VBKJJOXZICKWRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159050
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC(C3)(F)F)C(=O)NC)C(=O)NC4=CC=CC(=C4F)C(F)F	PC-id_160231191	526.164	XAGWGENHAVEKPV-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159051
C1CC2=C(C=NN2C1)CC3=NC=C(C=N3)C4=CC(=C(C=C4)CC(=O)NC5=NOC(=C5)C6(CC6)C(F)(F)F)F	PC-id_161736348	526.174	XKMVNWUXNZPQGZ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159052
Brc1sc(Br)c2c1C(NC(=O)CN1CCC(CC1)Cc1ccccc1)CC2=O	PC-id_11663674	526.285	LVHRETUAQBDECW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159053
CC(C)C(=O)NC1=CN=C(C=C1)NC2=NNC3=C2CN(C3(C)C)C(=O)NC[C@H](CN(C)C)C4CCOCC4	PC-id_153631914	526.338	MGHROJRRBGANJN-LJQANCHMSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159054
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4997080424	526.391	WDPZXQNKVUBWEJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159055
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-4720230028	526.391	DZRILPXTQNJBMD-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159056
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-9353095696	526.391	VUAILPCALWIUAT-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159057
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCc1cc(OC)c(cc1Br)OC)C(=O)OC	PC-id_19236729,MCULE-5982885626	526.397	RURWDUFCVGNNPR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159058
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18740139	526.431	UETDGZYHPIKQKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159059
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18740149	526.431	UETDGZYHPIKQKO-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159060
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18739992	526.431	FXCMBRNTTSRLGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159061
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C(F)(F)F)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740229	526.431	LLWMHWHDBAYPBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159062
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NCCc1ccc(cc1)C(=O)O	SCHEMBL18740081	526.431	CZFZLLRRMUAQQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159063
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18739990	526.431	FXCMBRNTTSRLGY-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159064
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C(F)(F)F)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740227	526.431	LLWMHWHDBAYPBB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159065
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn12	SCHEMBL21378261,BindingDB-id_980744,PC-id_139507400	526.456	IEJJAUQIXAHHKY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159066
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C(F)F)n2CCCc12	SCHEMBL19900973,BindingDB-id_799418,PC-id_134285252	526.456	RVHLMOJTZUKRQW-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159067
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/NN)/N)C(=O)Nc1cc(c(c(c1)F)F)F	SCHEMBL19920763,PC-id_134303043	526.459	FOVWAGSKZGXOJC-CHHVJCJISA-N	00001010100000110000000010000000000000000000000000000000	25-01-159068
CC1(c2c(CN1C(=O)Nc1c(cccc1Br)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348579,PC-id_135195447	526.465	KKXKILIVSNJIDL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159069
Brc1cc(c(OCCc2ccccc2)cc1)C(=O)NC(=S)Nc1sc2CCCc2c1C#N	PC-id_17046765	526.468	YRERXGSTRRAHOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159070
Brc1c(OCCc2ccccc2)ccc(C(=O)NC(=S)Nc2sc3CCCc3c2C#N)c1	PC-id_17073118	526.468	IYIONGYRTXVPPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159071
O=C(c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C)NCCC(F)(F)F	SCHEMBL2162521,PC-id_24772611	526.468	CKMGUAAPZKSLOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159072
COc1ccc(cc1F)NC(=O)N1Cc2c([C@@H]1C(=O)Nc1ccc(cc1F)N1CCOCC1=O)cnn2C	SCHEMBL4598069,PC-id_58797887	526.492	BYFOOGFKEOFWMK-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159073
Fc1c(NC(=O)C2N(Cc3n(ncc23)C)C(=O)Nc2cc(F)c(OC)cc2)ccc(N2CCOCC2=O)c1	PC-id_72427210	526.492	BYFOOGFKEOFWMK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159074
c1(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334329515,MCULE-8156658231	526.494	DWXQQNSVHYODCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159075
CCCCCCCCCCCCOC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)C#C)Br	SCHEMBL10816888	526.505	JLIYDRXBEPYQRN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159076
CN(C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])CCN1CCN(CC1)C(=O)OCc1ccc(cc1)C(F)(F)F	PC-id_69635392,SCHEMBL6010850	526.509	UGOOEXRMFDMITK-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159077
FC(F)(F)c1ccc(CC2N(CCN(C2)CCN(CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)C(=O)O)cc1	PC-id_69635396	526.509	ONFUMSNYZHOLIP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159078
FC(F)(F)c1ccc(C[C@@H]2N(CCN(C2)CCN(CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C)C(=O)O)cc1	PC-id_69635401	526.509	ONFUMSNYZHOLIP-HXBUSHRASA-N	00000010100010110001000010000000000000000000000000000000	25-01-159079
FC(F)(F)c1ccc(COC(=O)N2CCN(CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C)CC2)cc1	PC-id_77712990	526.509	UGOOEXRMFDMITK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159080
COc1ccc(cc1)N(c1nn(c2c1CN(C2)C(=O)c1ccc(cc1)OC)C(=O)c1ccc(cc1)OC)C=O	PC-id_141257347	526.54	BMEHLXOXNDVWOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159081
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)C)C(=O)OC	PC-id_17304207	526.552	WLXHKBMJHGKAPC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159082
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1c(F)ccc(c1F)F	SCHEMBL3484824,PC-id_24946433	526.553	LZSAXARBDCNLTL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159083
COC(=O)c1c(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2	ZINC22_3322044,EMOLS-id_43719646,CoCoCo_2909860,PC-id_2437516,MCULE-3892810611	526.555	SNGMBGWCJJDAHQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159084
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053625	526.58	GIGALFYUMSXQEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159085
COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C1CCc2n1c(nn2)Cc1ccccc1)OC	PC-id_69073725,SCHEMBL4511806	526.583	KKEXEBGDNGCHEB-NQCNTLBGSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159086
COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCc2n1c(nn2)Cc1ccccc1)OC	SCHEMBL4511799,PC-id_69073724	526.583	KKEXEBGDNGCHEB-GOTSBHOMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159087
O=C(NC(Cc1ccc(cc1)c1c(OC)cccc1OC)C(=O)O)C1n2c(nnc2Cc2ccccc2)CC1	PC-id_77598816	526.583	KKEXEBGDNGCHEB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159088
COc1cc(ccc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)csc2)CC(=O)N(c1ccccc1)C	SCHEMBL2990442,PC-id_68468468	526.603	WMJJWXFSLHVQTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159089
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N1CCCC1	SCHEMBL14055220,PC-id_89236721	526.605	MEZVQRXKTNALKM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159090
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(C(F)(F)F)cc1	NSC734150,PC-id_24205068,CHEMBL211646	526.623	HNTAQWPMHHSOOC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159091
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)(C)C	PC-id_68989242,SCHEMBL4290171	526.626	DNRNLKNZNNZWEG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159092
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(o1)CN1CCCC1	SCHEMBL14054526,PC-id_89236241	526.628	GPJXNGKQIDLJEH-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-159093
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)N1CCN(CC1)C)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL4285407,PC-id_57703897	526.628	QRQXWNKVCUZMGJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159094
c1(NC(=O)C(=Cc2ccc(cc2)OC(C)C)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-5454945558	526.646	LFMXVINLVJYPOP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-159095
CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12)[C@H](C)c1ccc(cc1F)C#N	PC-id_145713358,BindingDB_PC-id_145713358,BindingDB-id_722796	526.646	OTZDXIORPTXDLN-CPJLOUKISA-N	00000010100000110001000010000000000000000000000000000000	25-01-159096
CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12)[C@@H](C)c1ccc(C#N)c(F)c1	BindingDB-id_722790,PC-id_134167000,SCHEMBL19767340,BindingDB_PC-id_134167000	526.646	WHCYCPGWYWLTDM-LMKMVOKYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159097
CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12)[C@H](C)c1ccc(C#N)c(F)c1	BindingDB_PC-id_145713354,BindingDB-id_722791,PC-id_145713354	526.646	WHCYCPGWYWLTDM-CPJLOUKISA-N	00000010100000110001000010000000000000000000000000000000	25-01-159098
CC[C@H](C)C1N(Cc2ccc(C#N)c(F)c2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	PC-id_145713370,BindingDB-id_722817,BindingDB_PC-id_145713370	526.646	ANEITJPGRDJKTF-YPHZTSLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159099
CC(C)Oc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c2ccccc2)cc1	EMOLS-id_334337703	526.646	LFMXVINLVJYPOP-NLRVBDNBSA-N	00000010101000110000000010000000000000000000000000000000	25-01-159100
C[C@@H](c1cc(c(cc1)C#N)F)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19771934,PC-id_134170766	526.646	WHCYCPGWYWLTDM-YPHZTSLFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159101
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(c(cc1)C#N)F	SCHEMBL19772046,PC-id_134170875	526.646	GJRBTZIMXXFFNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159102
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4F)C#N)Cc3s2)cc1	BindingDB_PC-id_145713306,BindingDB-id_722732,PC-id_145713306	526.646	LHHCEZCXTBBAGE-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159103
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(C#N)c(F)c4)Cc3s2)cc1	BindingDB_PC-id_145713296,BindingDB-id_722723,PC-id_145713296	526.646	GJRBTZIMXXFFNA-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159104
N#Cc1ccc(cc1F)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18377842	526.646	GJRBTZIMXXFFNA-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-159105
S1Cc2c(n(nc2C1)CC(=O)NCc1ccc(OC)cc1)NC(=O)CC(c1ccccc1)c1ccccc1	PC-id_44053492	526.649	DLDODMRQFMLMDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159106
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OC	EMOLS-id_638800,MCULE-1522259490,TIMTEC114761,STOCK1S-52549,PC-id_3101971,SPECS-id_AT-225/NB93175,BAS-00354936	526.659	CZSCZDCHJWISPT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159107
COC(=O)c1c(N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_49065,ZINC22_2270667,PC-id_1896450	526.659	CZSCZDCHJWISPT-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159108
COC(=O)c1c(N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	ZINC22_2270668,CoCoCo_49064,PC-id_1896451	526.659	CZSCZDCHJWISPT-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159109
CCOC(=O)c1c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408629447	526.667	BJUKOAQJOSSEPY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159110
CCOC(=O)c1c(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408568408	526.667	UIOUXNHQDUSUEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159111
CCOC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408605560	526.667	JKLFWVILKGDIAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159112
CCOC(=O)c1c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408607612	526.667	MXXWZRFYNDCULI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159113
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408630648	526.667	WHVRKIMYJSJVGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159114
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408618030	526.667	IWOWJIBNUIHNNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159115
CCOC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408618518	526.667	JVQOTCKHGUQHPK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159116
CCOC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408629616	526.667	FELAFNPWCDJBGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159117
COC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408609537	526.667	OZOGIHCYYQONOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159118
s1c2c(CCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)Cc2ccccc2)cc1)C(=O)OCC	PC-id_16833602	526.667	DNWRHIIXASXSOO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159119
CCCC1CCc2c1sc(c2)C(=O)NC/C(=CC=C(C(=NNC(=O)CNc1cc(n(n1)C)C)C)/C=C)/F	PC-id_143997133	526.669	WQDFLFWJWZBHRI-ZCUDOPQQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-159120
CC(C)C1c2c(CN1Cc1cc(=O)n(cc1)C1CC1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772191,PC-id_134171011	526.671	VNKIUGKFHYBPQI-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-159121
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(=O)N	SCHEMBL18368051	526.671	UQQKHHLTWHQQPT-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159122
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@@H](N(C2)Cc1ccn(c(=O)c1)C1CC1)C(C)C	SCHEMBL18367937	526.671	VNKIUGKFHYBPQI-VWLOTQADSA-N	00100010100000111001100010000000000000000000000000000000	25-01-159123
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC)C(=O)OC	PC-id_19642200	526.671	BHJCMWQTDDAHKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159124
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)C)C(=O)OCC	PC-id_19642087	526.671	STCASRWIGODXBX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159125
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC=C)C(=O)OC	PC-id_17302290	526.671	VAEPTMNMPUCFNJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159126
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC=C)C(=O)OC	PC-id_19732739	526.671	APCMFHBGPOBHGZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159127
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC=C)C(=O)OC	PC-id_17255264	526.671	GVAGNIICMCJVHQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159128
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC=C)C(=O)OC	PC-id_17306185	526.671	RWGDGONTIMOJAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159129
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC=C)C(=O)OC	PC-id_17307767	526.671	KFODUFSOHGJVNT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159130
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC=C)C(=O)OC	PC-id_19637735	526.671	JWNSWYLZDRMNDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159131
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC=C)C(=O)OCC	PC-id_17267623	526.671	KXOHDBCIMQOFCU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159132
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC=C)C(=O)OCC	PC-id_19636002	526.671	XVYOUVGPDJQJOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159133
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC=C)C(=O)OCC	PC-id_19636354	526.671	LUDGLWRXDIJOBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159134
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC=C)C(=O)OCC	PC-id_19636702	526.671	HOSPITNNYCQYGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159135
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC=C)C(=O)OCC	PC-id_19643500	526.671	YEDNQHXRMVTLGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159136
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC=C)C(=O)OCC	PC-id_21165779	526.671	JHGURBHXKLZVOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159137
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC=C)C(=O)OCC	PC-id_21166111	526.671	LKMMQXSZHXEASN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159138
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC=C)C(=O)OCC	PC-id_21166434	526.671	ARZUPRMPQCKMIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159139
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)CC=C)C(=O)OC	PC-id_17306671	526.671	SHZKFJDNJWPZQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159140
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC=C)C(=O)OCC	PC-id_19632255	526.671	BCJBPQHBWWGWSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159141
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC=C)C(=O)OC	PC-id_19632493	526.671	SXKQPQOXMQKWBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159142
CCc1nn(c(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1)C	PC-id_66738844,SCHEMBL597151	526.674	HBJSSWZEYDXAMV-MSOLQXFVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159143
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2C(NC(=O)c1cnc[nH]1)(C)C)C	PC-id_140298161	526.674	RHYMIKXFAPIZGH-MSOLQXFVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159144
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncn(c1)C(C)C)C	SCHEMBL596940,PC-id_25096172	526.674	GWZSZMRXJHWHCQ-MOPGFXCFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159145
CCn1nc(cc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(CC1C)CC1CCOCC1)C	SCHEMBL18155605,PC-id_122626067	526.674	VCKDCMUNCYXJBO-MRTLOADZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159146
CCn1nc(cc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1)C	BindingDB_PC-id_66739142,SCHEMBL598358,PC-id_66739142	526.674	VCKDCMUNCYXJBO-MOPGFXCFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159147
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4n(nc(c4)CC)C)c3C2)(C)C)C)CC1	PC-id_77182942	526.674	HBJSSWZEYDXAMV-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159148
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4n(nc(c4)C)CC)c3C2)(C)C)C)CC1	PC-id_77183026	526.674	VCKDCMUNCYXJBO-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159149
Fc1ccc(cc1)C(=O)Nc1sc2c(c1C[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1)CCC2	GD-id_ZINC22033211,PC-id_29961660	526.687	FXAMGZTXCIPALH-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-159150
N#Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)sc2c1CCC2	CoCoCo_3774121,ZINC22_3299182,EMOLS-id_3037426,PC-id_2414775,MCULE-6409079975,GD-id_ZINC03299182	526.843	JIQNWKKSSNBTOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159151
CC[Si](OC(CCc1ccccc1)CCC1=c2cc(oc2=CC1=O)O[Si](CC)(CC)CC)(CC)CC	SCHEMBL2076176	526.855	ZKHHSPNXFRTPPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159152
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)O)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302966,SCHEMBL19920684	526.893	OUQDBMFYGKYAOQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159153
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2C[C@H](O)Cc12	BindingDB-id_799322,PC-id_134285039,SCHEMBL19900720	526.893	OUQDBMFYGKYAOQ-GFCCVEGCSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159154
Clc1ccc(C(F)CC2=C(C(c3n2nc(c3C(=O)c2ccccc2)C(F)(F)C(F)(F)F)(C)C)C)cc1	PC-id_16079255	526.901	HMADZIRXESURBL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159155
OCCOCCn1c(=O)c2c(n1C)NC(N2Cc1ccc(cc1)Cl)OCc1cccc(c1)C(F)(F)F	PC-id_117793564,SCHEMBL16363442	526.936	DVIXABIFNBPHBM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159156
Clc1ccc(cc1)CC1CN(CCN1C(=O)[O-])c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL6010703,PC-id_69635238	526.949	XGUOJHFUZXJGHZ-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-159157
Clc1ccc(cc1)C[C@@H]1CN(CCN1C(=O)[O-])c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL6010713,PC-id_69635250	526.949	XGUOJHFUZXJGHZ-VGOKPJQXSA-M	00000010100010110001100010000000000000000000000000000000	25-01-159158
Clc1ccc(cc1)COCCC1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_67274234,SCHEMBL2088946	527.012	XBKRVDQLJGPVMX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159159
Clc1ccc(cc1)COCCC1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL2088944,PC-id_5278914	527.012	XBKRVDQLJGPVMX-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159160
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_2578560,ZINC22_3458232,CoCoCo_3063220	527.014	IHTPGYJMOPXLOB-FYJFLYSWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-159161
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_2578567,ZINC22_3458234,CoCoCo_3063222	527.014	IHTPGYJMOPXLOB-BTDICHCPSA-N	00000010100000000001100010000000000000000000000000000000	25-01-159162
Clc1n(nc(c1C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C1CS(=O)(=O)CC1	PC-id_4834657,MCULE-8191184282,EMOLS-id_43770716	527.014	IHTPGYJMOPXLOB-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-159163
Clc1n(nc(c1/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N)C)C1CS(=O)(=O)CC1	PC-id_6216640	527.014	IHTPGYJMOPXLOB-AATRIKPKSA-N	00000010100000000001100010000000000000000000000000000000	25-01-159164
O=C(/C=Cc1c(C)nn(c1Cl)[C@@H]1CCS(=O)(=O)C1)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3063221	527.014	IHTPGYJMOPXLOB-FOQNGQEVSA-N	00000010100000000001100010000000000000000000000000000000	25-01-159165
O=C(/C=Cc1c(C)nn(c1Cl)[C@H]1CCS(=O)(=O)C1)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_3063223	527.014	IHTPGYJMOPXLOB-FJOGCWAESA-N	00000010100000000001100010000000000000000000000000000000	25-01-159166
Clc1ccc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3cc(OC)cc(OC)c3)CC2)cc1	PC-id_16948107	527.035	GIQCRWVSPYJCQH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159167
Clc1cc(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3cc(OC)cc(OC)c3)CC2)ccc1	PC-id_16947984	527.035	INOXTGWRFHDJRU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159168
Clc1c(N2CCN(C(=O)C3CCc4sc(nc34)NC(=O)c3cc(OC)cc(OC)c3)CC2)cccc1	PC-id_16947983	527.035	ORWTYFXPRIKAEI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159169
CCC(CC)C(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1cc(S(=O)(=O)C)ccc1Cl)CCC2	EMOLS-id_45631235,MCULE-8753389574,ZINC22_89943071,PC-id_71944803	527.053	UUGYYTTWOCREMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159170
CC(C)(CCCCC(=O)O)NC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C(=C3)F)F)F)Cl	PC-id_147715444	527.143	GVNPEMUANPJYJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159171
C1CC1(C2=CC(=NO2)NC(=O)CC3=C(C=C(C=C3)C4=CN=C(N=C4)CC5=C6N(CCO6)C=C5)F)C(F)(F)F	PC-id_160862990	527.158	IRTLQMYGIBSEDW-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159172
Cc1c(n2CCCc2c1C(=O)C(=O)NC(CCF)(CCF)c1n[nH]nc1)C(=O)Nc1cc(c(cc1)F)C#N	PC-id_163686244	527.189	JPCMDBGAAAJNAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159173
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2CCC3=CC=C(C=C3)CN4CCOCC4	PC-id_149757284	527.245	BEMOJHWLELPKJX-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159174
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)CCC3=CC=C(C=C3)CN4CCOCC4	PC-id_152254025	527.245	WFYCRDCMQZAWKW-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159175
Brc1sc(Br)c2C(=O)CC(NC(=O)CN3CCN(Cc4ccccc4)CC3)c12	PC-id_11541388,BindingDB-id_198554,BindingDB_PC-id_11541388	527.273	PWADOOXQBWTHNQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159176
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=C(C=CC(=C3F)C)C)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587077	527.291	BGXUBFQMIGSXTI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159177
Clc1cc(cc(c1)Cl)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740117	527.323	PMSHYKIAPFBLBX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159178
Clc1cc(cc(c1)Cl)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740116	527.323	PMSHYKIAPFBLBX-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159179
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)Cl)Cl)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740213	527.323	VYGFQAPSQOVQNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159180
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)Cl)Cl)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740209	527.323	VYGFQAPSQOVQNF-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159181
CCCCCCc1sc(c2c1OC(O2)C)[Sn]C(CCCC)(CCCC)CCCC	PC-id_141746546	527.382	MPLSXZXXRNTSGQ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-159182
COc1cc(CC(=O)NC[C@H](NC(=O)[C@@H]2CCc3c[nH]nc23)c2ccccc2)cc(OC)c1Br	ZINC22_2325875946	527.41	GTWCQJOPFUEMPC-MOPGFXCFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159183
COc1cc(CC(=O)NC[C@H](NC(=O)[C@H]2CCc3c[nH]nc23)c2ccccc2)cc(OC)c1Br	ZINC22_2325875947	527.41	GTWCQJOPFUEMPC-OALUTQOASA-N	00000010100000110001000010000000000000000000000000000000	25-01-159184
COc1cc(CC(=O)NC[C@@H](NC(=O)[C@H]2CCc3c[nH]nc23)c2ccccc2)cc(OC)c1Br	ZINC22_2325875948	527.41	GTWCQJOPFUEMPC-RBUKOAKNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159185
COc1cc(CC(=O)NC[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc23)c2ccccc2)cc(OC)c1Br	ZINC22_2325875949	527.41	GTWCQJOPFUEMPC-RTBURBONSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159186
CC(c1cccc(n1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)C(F)(F)F	PC-id_135361148,SCHEMBL20539604	527.419	INAMPGLQAFQECU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159187
C[C@@H](c1cccc(n1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20539602,PC-id_135361147	527.419	INAMPGLQAFQECU-LBPRGKRZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159188
Clc1c(COc2ccc(cc2)/C=C/C(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(Cl)ccc1	PC-id_1672972	527.419	HPFZLMLBVCCJQD-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159189
Clc1c(COc2ccc(cc2)C=CC(=O)OCC(=O)Nc2sc3CCCc3c2C#N)c(Cl)ccc1	PC-id_3652504	527.419	HPFZLMLBVCCJQD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159190
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NC(c1ccc(cn1)C(=O)O)C	SCHEMBL18739974	527.419	BWSBETVIMMGNJW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159191
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NC(c1ccc(nc1)C(=O)O)C	SCHEMBL18740228	527.419	GHWFUPCHHJXFNC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159192
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)N[C@H](c1ccc(cn1)C(=O)O)C	SCHEMBL18739971	527.419	BWSBETVIMMGNJW-LBPRGKRZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159193
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)N[C@H](c1ccc(nc1)C(=O)O)C	SCHEMBL18740226	527.419	GHWFUPCHHJXFNC-LBPRGKRZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159194
c1(NC(=O)c2cc(OC)c(c(OC)c2Br)OC)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3560175392,EMOLS-id_334387475	527.429	MEYYWDFQFFOKNF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159195
Brc1c(OCc2ccccc2)c(OC)cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)N)c1	PC-id_19191946	527.43	IKUVZAHOASMMHI-ZHACJKMWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159196
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)N	MCULE-4530163765,PC-id_73562663	527.43	IKUVZAHOASMMHI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159197
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_19632939	527.444	QMPPZYIHUCNQLE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159198
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc(Cl)cc1	PC-id_21166863	527.444	DGCFHLMMVJEAOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159199
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccnc(C(F)F)c2F)c2CCCn12	PC-id_139507441,SCHEMBL21378306,BindingDB-id_980723	527.444	AHXCAWFJVRZXEZ-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-159200
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccnc(C(F)F)c2F)n2CCCc12	SCHEMBL19901001,BindingDB-id_799441,PC-id_134285278	527.444	KYQJFMXGDILKQG-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-159201
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1OCCOC	PC-id_17356879	527.452	LFKWYOGUMBBAHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159202
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCOC)cc1	PC-id_17357501	527.452	WQCJKRHZEVBJLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159203
CCOC(=O)c1c2N(Cc3cccc(c3)C(F)(F)F)C[C@H](n2nc1C(F)(F)F)COCc1ccccc1	SCHEMBL21081547,PC-id_138705385	527.459	NSOMKOFWEGQRJA-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-159204
CCOC(=O)c1c2N(Cc3cccc(c3)C(F)(F)F)CC(n2nc1C(F)(F)F)COCc1ccccc1	SCHEMBL18758641	527.459	NSOMKOFWEGQRJA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159205
O=C(Cc1ccc(cc1F)c1cnc(nc1)Nc1cn2c(n1)CCC2)Nc1noc(c1)C1(CC1)C(F)(F)F	SCHEMBL18421168	527.474	BGCOTWHMBOSASD-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159206
O=C(Cc1ccc(cc1F)c1cnc(nc1)Nc1cnn2c1CCC2)Nc1noc(c1)C1(CC1)C(F)(F)F	SCHEMBL18420996	527.474	XMFQCJYLOKYEPT-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159207
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCC)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-6497315166,PC-id_18848849	527.504	VQRCWKZOZLIBQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159208
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(Cl)cc1Cl	CHEMBL377522,PC-id_24205591,NSC736208	527.515	XSABNURASOKOOK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159209
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(Cl)c(Cl)c1	CHEMBL209725,PC-id_24205516,NSC736071	527.515	SMQOKAFVJAAESS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159210
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1cc(Cl)cc(Cl)c1	CHEMBL425608,PC-id_24205517,NSC736072	527.515	UFYZVZVHXROVQS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159211
c1(NC(=O)C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)OC(=O)C)sc2c(CCC2)c1C(=O)OCC	TIMTEC558398,EMOLS-id_1316711,STOCK1S-49097,BAS-01181108,MCULE-6037958277,PC-id_3127211	527.541	XUTMLUPUYFFEIL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159212
CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)sc2c1CCC2	CoCoCo_176611,PC-id_40629069,ZINC22_6599733	527.541	XUTMLUPUYFFEIL-UXPWSPDFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159213
CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408619842	528.64	NXNYLMXTGFJTLP-QGZVFWFLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159337
CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](COC(=O)C)OC(=O)C)sc2c1CCC2	CoCoCo_176612,ZINC22_101170417,PC-id_98175880	527.541	XUTMLUPUYFFEIL-VDGAXYAQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159214
CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](COC(=O)C)OC(=O)C)sc2c1CCC2	CoCoCo_176614,ZINC22_101170413,PC-id_98175878	527.541	XUTMLUPUYFFEIL-DBVUQKKJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159215
CCOC(=O)c1c(NC(=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](COC(=O)C)OC(=O)C)sc2c1CCC2	CoCoCo_176616,ZINC22_101170415,PC-id_98175879	527.541	XUTMLUPUYFFEIL-FFZOFVMBSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159216
CCOC(=O)c1c(NC(=O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](COC(=O)C)OC(=O)C)sc2c1CCC2	CoCoCo_176618,ZINC22_101170411,PC-id_98175877	527.541	XUTMLUPUYFFEIL-PWIZWCRZSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159217
CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)sc2c1CCC2	PC-id_40629068,CoCoCo_176613,ZINC22_6599732	527.541	XUTMLUPUYFFEIL-AHRSYUTCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159218
CCOC(=O)c1c(NC(=O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)sc2c1CCC2	ZINC22_6599729,PC-id_40629066,CoCoCo_176617	527.541	XUTMLUPUYFFEIL-NSISKUIASA-N	00000010100000000000000010000000000000000000000000000000	25-01-159219
CCOC(=O)c1c(NC(=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)sc2c1CCC2	ZINC22_6599730,PC-id_40629067,CoCoCo_176615	527.541	XUTMLUPUYFFEIL-LSTHTHJFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159220
O=Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_141722287	527.55	XQODHIHQDXSDDQ-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159221
O=C(c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_117999654,SCHEMBL16624975	527.55	UICCQBZVVDLCBI-XMMPIXPASA-N	00000010100010110001000010000000000000000000000000000000	25-01-159222
CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCC(F)(F)F)C[C@@H]2C)C3(C)C)n1	BindingDB-id_546049,BindingDB_PC-id_59333944,SCHEMBL3327726,PC-id_59333944	527.561	HYVFUDMRYLABCB-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159223
FC(F)(F)CCN1C(CN(C(C1)C)C(=O)N1C(c2[nH]nc(Nc3nc(ncc3F)NCC)c2C1)(C)C)C	PC-id_72257734	527.561	HYVFUDMRYLABCB-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159224
COc1ccc(cc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CCS(=O)[O-]	PC-id_139401358	527.589	OVVJNRXOQUTWGR-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-159225
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-2815140817	527.591	BPAAMCCAWSDWLV-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159226
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-7745809835	527.591	IKDDCTZMNBMWMS-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159227
n12nc(nc1sc(=Cc1ccc(c(OC)c1)OCc1ccccc1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8026689212	527.591	UYEAGKMHEYHWAF-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159228
COc1ccc(cc1OCc1ccccc1)C(C1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CS(=O)(=O)C	SCHEMBL2670593,PC-id_67491107	527.609	AGFRSOLIWCHKTQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159229
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)C)sc2c1CCC2	PC-id_121042629	527.612	PIEQOKGMIIMALY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159230
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)C)sc2c1CCC2	PC-id_121044250	527.612	ZTDWWLCKCABSNE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159231
O(C1CCN(CC1)Cc1ccc(OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)CC(=O)NC1CCCCC1	PC-id_53469645	527.613	UJPIGSATQJFSGD-HHHXNRCGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159232
O(C1CCN(CC1)Cc1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)CC(=O)NC1CCCCC1	PC-id_76037081	527.613	UJPIGSATQJFSGD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159233
CN1CCN(CC1)c1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	SCHEMBL4291339,PC-id_68989812	527.614	NYBOLPQZYBUNKR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159234
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)Nc1ccccc1	EMOLS-id_328222079,MCULE-1231188023	527.634	ADIYIUINWFSQGA-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-159235
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ncc(cc4F)C#N)Cc3s2)cc1	BindingDB_PC-id_145713333,PC-id_145713333,BindingDB-id_722765	527.634	ANRRCNTUPMYUCR-DEOSSOPVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159236
COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)NS(=O)[O-])c1nc2c(s1)CCC2	PC-id_134174172	527.636	WKAUVTFAKNCPMH-SFTDATJTSA-M	00000010100000110001000010000000000000000000000000000000	25-01-159237
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CCC(CC1)N)C	PC-id_118368766,SCHEMBL18729878	527.636	WMTAXWJMJCPXLG-AREMUKBSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159238
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CCC(CC1)N)C	SCHEMBL18729880	527.636	WMTAXWJMJCPXLG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159239
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CCN(CC1)C)C	PC-id_118368795,SCHEMBL18729929	527.636	DGINCGIOLSOWPP-AREMUKBSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159240
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CCN(CC1)C)C	SCHEMBL18729826	527.636	DGINCGIOLSOWPP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159241
CCCCN(CC)c1ccc(s1)C=c1c(nn2c1nnc2COC)C#CC=C=C=C=C=C=C=C=C=C=C=C=C	PC-id_91310119	527.639	ASIIJBUADMICTQ-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-159242
CCN(C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)c1sc2c(n1)CN(C2)C)NC(=O)C(=O)Nc1ccc(cn1)C)C	PC-id_142197970	527.639	WSEHBRFWBDELAF-YESZJQIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159243
COCc1nnc2n1nc(/c/2=C/c1ccc(s1)N(CCCC)CC)C=C=C=C=C=C=C=C=C=C=C=C=C=C=C	SCHEMBL13422149,PC-id_58856817	527.639	WVYJRTXHGBPHFB-FVDSYPCUSA-N	00000000100100000001000010000000000000000000000000000000	25-01-159244
s1c(N(CCCC)CC)ccc1C=c1c2n(nc1C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)c(nn2)COC	PC-id_72445317	527.639	WVYJRTXHGBPHFB-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-159245
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)C(=O)O	SCHEMBL19772205,PC-id_134171025	527.656	GUDOCTFGJQGNFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159246
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(=O)O	SCHEMBL18368052	527.656	GUDOCTFGJQGNFS-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159247
COC(=O)c1ccc(CN2Cc3sc(nc3[C@@H]2C(C)C)C(=O)NCc2ccc(cc2)S(=O)(=O)C)cc1	BindingDB-id_722828,BindingDB_PC-id_145713377,PC-id_145713377	527.656	NOAFNJODXDJXRW-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159248
C=C1C[C@H](N([C@H]1[C@@H](c1cccnc1)C)C(=O)OC(C)(C)C)Cc1ccc(cc1)NC(=O)[C@@H]1CCc2n1ncc2	PC-id_143872708	527.657	NOVKKLYEQBTYFS-OZBXUNDUSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159249
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(C)c3)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_4684723,MCULE-9599459240,EMOLS-id_16381961	527.659	SZBOGZPJOCYVFP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159250
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661620,EMOLS-id_16381945,PC-id_5079077,MCULE-7715152975	527.659	ZOPIBHZGEPRGBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159251
CCc1nc(c(o1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)N(C[C@@H]1C)CC1CCOCC1)C	PC-id_122614458,SCHEMBL18142804	527.659	XIHKIXZXTKKYHU-DJNXLDHESA-N	00000010100010000001000010000000000000000000000000000000	25-01-159252
CCc1nc(c(o1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1)C	BindingDB_PC-id_25096170,SCHEMBL596309,PC-id_25096170	527.659	XIHKIXZXTKKYHU-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-159253
CCc1nc(c(o1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@H](C)N(C[C@@H]1C)CC1CCOCC1)C	SCHEMBL10076766,PC-id_59508165	527.659	XIHKIXZXTKKYHU-IRXDYDNUSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159254
CCCc1onc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_59508347,BindingDB_PC-id_59508347,SCHEMBL597146	527.659	ZFOMTGHGPDFYSE-MSOLQXFVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159255
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)C)C)sc2c1CCC2	CoCoCo_2662045,PC-id_41086988	527.659	SZBOGZPJOCYVFP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159256
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)C)C)sc2c1CCC2	PC-id_41086989,CoCoCo_2662046	527.659	SZBOGZPJOCYVFP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159257
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)c4noc(c4)CCC)c3C2)(C)C)C)CC1	PC-id_72310473	527.659	ZFOMTGHGPDFYSE-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159258
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3[nH]nc(NC(=O)Cc4c(onc4C)C)c3C2)(C)C)C)CC1	PC-id_72310354	527.659	MUALRCZUJQNJGX-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159259
O1CCC(CN2[C@@H](CN([C@H](C2)C)C(=O)N2C(c3[nH]nc(NC(=O)Cc4c(onc4C)C)c3C2)(C)C)C)CC1	BindingDB_PC-id_59508216,SCHEMBL596664,PC-id_59508216	527.659	MUALRCZUJQNJGX-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-159260
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)Cc1ccccc1)C)C)C(=O)OCC	PC-id_43947661	527.659	QKXYERHTEVWBAM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159261
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC(=O)NCc2ccccc2)C1	PC-id_44053445	527.659	NDPKUOYQAOJPLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159262
s1c2c(c(C[NH+]3CC[NH+](CC3)C(c3ccccc3)c3ccccc3)c1NC(=O)c1ccc(F)cc1)CCC2	PC-id_2241432	527.695	FXAMGZTXCIPALH-UHFFFAOYSA-P	00000010100010110001000010000000000000000000000000000000	25-01-159263
CC[C@H]1N(Cc2ccc(cc2)OC(C)C)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18368077	527.699	QNBCIFUUQYSSBS-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159264
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC)C(=O)OCC	PC-id_19641858	527.702	MHUGSLKDFORCOQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159265
OCC1(CCC1)C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19536435	527.722	LMBNUWINKOCONH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159266
CC(c1nc2n(n1)N=C(/C/2=N/c1cc(C(C)C)c(cc1C)N1CCCCC1)C(C)(C)C)CNS(=O)(=O)C	PC-id_57583061,SCHEMBL10184693	527.725	XGNVLRJVARPNCB-FAJYDZGRSA-N	00000011100010110001100010000000000000000000000000000000	25-01-159267
c1(NC(=O)C(C)Oc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2041651028,EMOLS-id_334334121	527.859	GMHLBQGRUAZCMF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159268
Clc1ccc(cc1)COC(=O)N1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL6010695,PC-id_69635230	527.957	MHLFXYJSGLPNDN-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159269
Clc1ccc(CC2N(CCN(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)O)cc1	PC-id_69635239	527.957	XGUOJHFUZXJGHZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159270
Clc1ccc(C[C@H]2N(CCN(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)O)cc1	PC-id_69635251	527.957	XGUOJHFUZXJGHZ-VGOKPJQXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159271
Clc1ccc(COC(=O)N2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_77712921	527.957	MHLFXYJSGLPNDN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159272
Clc1ccc(NC(=O)OC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278849	527.957	SMAZVQVORDFHMV-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159273
Clc1ccc(NC(=O)OC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_78381700	527.957	SMAZVQVORDFHMV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159274
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc1	PC-id_44053739	527.998	YCCSNVFZAVXKLI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159275
Clc1ccc(S(=O)(=O)N2C(CC(O)C2)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	MCULE-1633232144,PC-id_4292125,EMOLS-id_317303487	527.998	QAPBJSNZWDBEFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159276
Clc1ccc(S(=O)(=O)N2[C@@H](C[C@@H](O)C2)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_2548175	527.998	QAPBJSNZWDBEFN-DOMZBBRYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159277
NC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)sc2c1CCC2	PC-id_2424919,EMOLS-id_43719154,MCULE-7375817625,ZINC22_3309224,CoCoCo_2908530	527.998	BXPXLESYTNJGLQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159278
c1(NC(=O)NN=Cc2ccc(c(OC)c2)OCc2ccccc2Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-8890703914,PC-id_19169874	528.02	BDOWCQVASOKXLL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159279
c1(NC(=O)NN=Cc2ccc(c(OC)c2)OCc2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)OCC	PC-id_19169875,MCULE-2924579476	528.02	DNUZXBDPSCXAFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159280
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(Cl)cccc1C(F)(F)F	PC-id_140882935	528.042	QXTBIRRRCWFIOC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159281
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2CNC3=CC=C(C=C3)CN4CCOCC4	PC-id_153305166	528.241	LWIUMKQATVGWDT-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159282
CCOC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408629505	528.64	CJRNTEZPMNROQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159338
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2NCC3=CC=C(C=C3)CN4CCOCC4	PC-id_153305163	528.241	VHXLHACIVYTYOU-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159283
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)CNC3=CC=C(C=C3)CN4CCOCC4	PC-id_152525795	528.241	YIMHLMUKLLUCIK-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159284
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1cccnc1)CC2=O	PC-id_11534228	528.261	VRZBDBLLERZEBT-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159285
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccncc1)CC2=O	PC-id_11541401	528.261	JTHVXQOAQZZIKY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159286
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ncccc1)CC2=O	PC-id_11526988	528.261	MPSSDFZITDDSIQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159287
c1(C(=O)OC)c2C(CCc2sc1NC(=O)c1cc(OC)c(c(OC)c1Br)OC)C(=O)OC	MCULE-1781345380,PC-id_4295267,EMOLS-id_4459961,STOCK2S-79537	528.37	OYXUWGYYXBEBBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159288
CCCC[Sn](c1cc2c(s1)CN(C2C)C(=O)OC(C)(C)C)(CCCC)CCCC	SCHEMBL7096994,PC-id_69987736	528.37	KKDOMEASWGFWHV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159289
COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc2c1[C@@H](C(=O)OC)CC2	CoCoCo_5840235,ZINC22_8386307,PC-id_6973000	528.37	OYXUWGYYXBEBBP-VIFPVBQESA-N	00000010100000110000000010000000000000000000000000000000	25-01-159290
COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc2c1[C@H](C(=O)OC)CC2	ZINC22_944149,CoCoCo_5840236,PC-id_1183901	528.37	OYXUWGYYXBEBBP-SECBINFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159291
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)OC	MCULE-4405408971	528.375	PTRYYDYNNUQYOI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159292
CC(c1c(ccc(c1)F)C(=O)CN(C)CC1CCn2c1cc(n2)C#N)Oc1nc(cnc1N)Br	PC-id_89816637	528.377	CMRUOUKLJZXJJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159293
N#Cc1nn2c(c1)C(CC2)CN(CC(=O)c1ccc(cc1[C@H](Oc1nc(Br)cnc1N)C)F)C	SCHEMBL15273951	528.377	CMRUOUKLJZXJJZ-KWCCSABGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159294
c1(NC(=O)Cn2nc(oc2=S)COc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-6339367444,PC-id_4750820,ZINC22_100995058,CoCoCo_6271850	528.429	QIWXTTGTVVPKCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159295
c1(NC(=O)CSc2nnc(COc3ccc(cc3Cl)Cl)o2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_6268176,MCULE-4294599089,PC-id_16431821,ZINC22_98047324,EMOLS-id_9819613	528.429	VDBSWTIXQUQOAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159296
OCc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(O)cc(c1)C(F)(F)F)C	PC-id_138705396,SCHEMBL21081559	528.447	HFSJNQCEQICZHP-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159297
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(=O)NCc2ccccc2)C1	PC-id_44053424	528.47	RZTSBXFBYHAQDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159298
s1c2c(CCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(=O)OC	PC-id_20166470	528.488	DUJIVSNTSVXNPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159299
Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1	BindingDB-id_980705,SCHEMBL21398386,PC-id_139525098	528.506	LJZNMOBKWHOOQW-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-159300
O=CCCc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758600	528.523	UQLKRPKAKCNUFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159302
O=CCCc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL21081543,PC-id_138705381	528.523	PFYFOJVKOHOUEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159303
O=CCCc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	PC-id_140931264	528.523	PFYFOJVKOHOUEH-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159304
O=CCCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758500	528.523	UQLKRPKAKCNUFO-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159305
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-1911063093	528.536	KMCXUXKGYFYMRX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159306
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-3528669324	528.536	HIGBVTVHQMEYDR-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159307
Cc1sc2c(n1)CN(C2)C(=O)[C@@H]([C@H](C(=O)NCC1CCN(CC1)c1ccccc1OC(F)(F)F)O)O	PC-id_57985104,SCHEMBL8224737	528.544	XZSPVNIDIXGAFC-WOJBJXKFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159308
s1c2CN(Cc2nc1C)C(=O)C(O)C(O)C(=O)NCC1CCN(CC1)c1c(OC(F)(F)F)cccc1	PC-id_76696319	528.544	XZSPVNIDIXGAFC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159309
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCC(F)(F)F)C[C@@H]2C)C3(C)C)n1	BindingDB_PC-id_59334003,PC-id_59334003,BindingDB-id_546106,SCHEMBL3327718	528.546	IACVZPOBPKDRTK-KGLIPLIRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159310
FC(F)(F)CCN1C(CN(C(C1)C)C(=O)N1C(c2[nH]nc(Nc3nc(OCC)ncc3F)c2C1)(C)C)C	PC-id_72257765	528.546	IACVZPOBPKDRTK-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159311
CC1(c2c(CN1C(=O)OC(C)(C)C)c(nn2C(=O)O)NC1CCCN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_137497865,SCHEMBL20741121	528.558	SCZWZARLNAGNQK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159312
COc1cnn(c(=O)c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C1CCc2n1c(nn2)Cc1ccccc1)C	SCHEMBL4518625,PC-id_69076364	528.559	SYELZADVEBUTCG-BGERDNNASA-N	00000010100000110001100010000000000000000000000000000000	25-01-159313
COc1cnn(c(=O)c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCc2n1c(nn2)Cc1ccccc1)C	SCHEMBL4518620,PC-id_69076361	528.559	SYELZADVEBUTCG-SFTDATJTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159314
O=C(NC(Cc1ccc(cc1)c1c(OC)cnn(c1=O)C)C(=O)O)C1n2c(nnc2Cc2ccccc2)CC1	PC-id_77599228	528.559	SYELZADVEBUTCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159315
CC(=O)N1CC(C1)(c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C)O	SCHEMBL20484894,PC-id_135315419	528.577	RBJUEHXHSLUEGQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-159316
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(COC(=O)N)CC1)C	SCHEMBL18729974	528.577	HCNCMHBDHFEPMK-XMMPIXPASA-N	00100010100000110001100010000000000000000000000000000000	25-01-159317
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(COC(=O)N)CC1)C	SCHEMBL18729976	528.577	HCNCMHBDHFEPMK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159318
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(O)CN(C1)C(=O)C)C	SCHEMBL18587821	528.577	RBJUEHXHSLUEGQ-XMMPIXPASA-N	00001010100000110001100010000000000000000000000000000000	25-01-159319
COc1ccc(cc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CCS(=O)O	PC-id_139401359	528.597	OVVJNRXOQUTWGR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159320
COc1ccc(cc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CCS(=O)=O	SCHEMBL21258023	528.597	AFNKLQRBZQVHNN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159321
COc1ccc(cc1OCc1ccccc1)C(N1C(=O)c2c(C1=O)c(sc2)NC(=O)C)CS(=O)(=O)C	SCHEMBL755240,PC-id_66790012	528.597	ZPDJDDTUROYIPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159322
COC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)sc2c1CCC2	ZINC22_2624336,EMOLS-id_43720792,CoCoCo_2912382,MCULE-8986640069,PC-id_2086370	528.597	ZCHDGJJFXNGNFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159323
COCC1CN(CCN1C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24750900,SCHEMBL4292320	528.599	XBJGJMJVYAVAEE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159324
CC(C)C(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1nc(c3cccc([N+](=O)[O-])c3)cs1)CCC2	ZINC22_3324856,CoCoCo_2879735	528.601	CMHVBHRWLCTVCP-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159325
CC(C)C(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1nc(c3cccc([N+](=O)[O-])c3)cs1)CCC2	ZINC22_3324857,CoCoCo_2879734	528.601	CMHVBHRWLCTVCP-CYBMUJFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159326
O=C(C(OC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2)C)Nc1scc(n1)c1cccc(c1)[N+](=O)[O-]	EMOLS-id_43710075,MCULE-7161922487,PC-id_4835038	528.601	CMHVBHRWLCTVCP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159327
C=C(C1CCn2c1ccc2C(=O)c1ccccc1)NCCC(Cc1ccc(cc1)C(F)(F)F)c1ccccc1	PC-id_89178559	528.607	IOTJRGYKHRLYQO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159328
C=C(C1CCn2c1ccc2C(=O)c1ccccc1)NCC[C@H](c1ccccc1)Cc1ccc(cc1)C(F)(F)F	SCHEMBL13821740	528.607	IOTJRGYKHRLYQO-BVOOQYFDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159329
c1(NC(=O)C(=Cc2ccc(c(OC)c2)OC)c2ccccc2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-9510082318	528.619	XUNCRFNRUOFPBU-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-159330
COc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C(=O)NCc2ccco2)c2ccccc2)cc1OC	EMOLS-id_334337193	528.619	XUNCRFNRUOFPBU-XQNSMLJCSA-N	00000010101000110000000010000000000000000000000000000000	25-01-159331
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CCC(CC1)O)C	PC-id_118368767,SCHEMBL17080502	528.62	GOYAUJANLIFMKB-AREMUKBSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159332
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CN1CCC(CC1)O)C	SCHEMBL17080503,PC-id_118368768	528.62	GOYAUJANLIFMKB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159333
CCOc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)c1ccc(C)cc1	ZINC22_408616118	528.64	WBZHEKYCCXMRFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159334
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c2ccc(C)cc2)cc1	ZINC22_408607401	528.64	LYEPDUHDIZSABH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159335
CCOC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408619840	528.64	NXNYLMXTGFJTLP-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159336
CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)sc2c1CCC2	ZINC22_408630594	528.64	VJDFITIKTWOFTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159339
CCOC(=O)c1c(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408625802	528.64	UFSAHBKUYKZBQR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159340
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408625383	528.64	SJLJMGOAMHOOAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159341
CCOC(=O)c1c(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408623054	528.64	XQMGJQNNVARHJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159342
CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408624191	528.64	FZGXDZCDMKLOPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159343
CCOC(=O)c1c(NC(=O)COc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)sc2c1CCC2	EMOLS-id_43740722,CoCoCo_2976122,ZINC22_3266432,PC-id_2382923,MCULE-3561251637	528.64	FEIOSPZODDDYMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159344
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)O	PC-id_91038482	528.644	LUURUCNEOIHWSF-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-159345
COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)NS(=O)O)c1nc2c(s1)CCC2	PC-id_134174173	528.644	WKAUVTFAKNCPMH-SFTDATJTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159346
COC(=O)N[C@H](C(=O)N[C@H](c1sc2c(n1)CCC2)Cc1ccc(cc1)NS(=O)=O)Cc1ccccc1	SCHEMBL19775592	528.644	DVJSLDSEMFRLBG-SFTDATJTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159347
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC=C)C(=O)OCC	PC-id_19731092	528.644	LOGXCCDYVPKHSS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159348
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC=C)C(=O)OC	PC-id_17307009	528.644	KBCQWMKJYJNOQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159349
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)CC=C)C(=O)OCC	PC-id_19633427	528.644	UTMMIESCANFVJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159350
CCCOc1ccc(cc1)c1csc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c1C(=O)OCC	EMOLS-id_328223606,MCULE-2270027199	528.662	NGBIPMFIGUVQEX-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-159351
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)CC(=O)c1ccccc1	SCHEMBL19537201	528.664	SJEPGONCRRWBOB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159352
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC)C(=O)OCC	PC-id_17264155	528.687	TZLTZFBMUXOTAY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159353
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC)C(=O)OCC	PC-id_17264317	528.687	AHZIQZUJIOWLKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159354
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC)C(=O)OCC	PC-id_17255110	528.687	XDGZPKSWYWFRBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159355
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC)C(=O)OCC	PC-id_17306166	528.687	HFPFKWOMGLIBOM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159356
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC)C(=O)OCC	PC-id_19637283	528.687	SYACKHBGXWXDLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159357
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC)C(=O)OCC	PC-id_19637619	528.687	ZUIYSTGGTGRTLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159358
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC)C(=O)OCC	PC-id_19643724	528.687	DWFLFAMMNUUHJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159359
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC)C(=O)OC	PC-id_17306725	528.687	AFBPQUSQSCPXNB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159360
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC)C(=O)OCC	PC-id_19632407	528.687	UGZUJHRNSFFCBD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159361
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)C)C(=O)OCC	PC-id_19639157	528.687	VKWRBPVSKGRBHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159362
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC)C(=O)OC	PC-id_17305183	528.687	PKBKFLSUBHNUHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159363
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)C)C(=O)OC	PC-id_17306786	528.687	PICUERIORZAURF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159364
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_17305157	528.687	UZPBXQXZJZNUAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159365
CCc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]cc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)CC	PC-id_70375643,SCHEMBL10476026	528.688	WRMCDWIXDYYPKI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159366
CCNCCNC(=O)CN(c1cc(ccc1C)/C(=N/OC(C)C)/C)CC(=O)N(N1Cc2c(C1)ccs2)C	PC-id_143876167	528.71	MIDQMIZIZODFIQ-MWAVMZGNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159367
N#C[C@]1(C)CC[C@@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367855	528.73	LFKHXJNDWXVMLD-QOAWAWRESA-N	00000010100010110001000010000000000000000000000000000000	25-01-159368
N#C[C@]1(C)CC[C@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367857	528.73	LFKHXJNDWXVMLD-OICBGKIFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159369
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2F)n2CCCc12	SCHEMBL19900902,PC-id_134285192,BindingDB-id_799427	528.884	IBSSASJIBCBIDQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159370
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(Cl)c2)n2CCCc12	PC-id_134302804,BindingDB-id_799429,SCHEMBL19920515	528.884	YQHNAELNLHMQLC-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159371
OCCOCCn1c(=O)c2c(n1C)NC(N2Cc1cccc(c1)Cl)Oc1cccc(c1)OC(F)(F)F	SCHEMBL18834651	528.909	OKYRWYUVNOEOGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159372
OCCOCCn1c(=O)c2c(n1C)NC(N2Cc1ccc(cc1)Cl)Oc1cccc(c1)OC(F)(F)F	SCHEMBL18835101	528.909	VPVGVLHQBJJLFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159373
Clc1c(OCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(OC)c1	PC-id_5278908	528.985	PLINUXQAROGMEY-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159374
Clc1c(OCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(OC)c1	PC-id_78381743	528.985	PLINUXQAROGMEY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159375
Clc1cc(S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_4831291	529.026	HZDBCPAVDYWJDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159376
Clc1cc(S(=O)(=O)N[C@H](C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_2518114,CoCoCo_4956941	529.026	HZDBCPAVDYWJDG-LJQANCHMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159377
COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)sc2c1CCC2	ZINC22_3399557,ChEMBL-DNDi_CHEMBL1505077,EMOLS-id_42763582,PC-id_2518111,CHEMBL1505077,MCULE-4975160147,CoCoCo_4956940	529.026	HZDBCPAVDYWJDG-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-159378
CCc1cccc(c1S(=O)(=O)N1Cc2c(C1)c(n[nH]2)NC(=O)c1ccc(cc1)N1CCN(CC1)C)Cl	SCHEMBL4279924,PC-id_68984443	529.054	DGLFVHKJXDYBOH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159379
CC(C)[C@@H]1N(Cc2ccc(C#N)c(Cl)c2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB_PC-id_145713352,PC-id_145713352,BindingDB-id_722787	529.074	HRIXZKPAISAJSJ-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159380
Clc1ccc(NC(=O)NC(C(C)(C)C)C(=O)N2CCC(CC2)CCN2Cc3n(C2=O)c(nc3C)C)cc1	PC-id_23138378	529.074	ZDXVYSCNUHREKN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159381
Clc1ccc(NC(=O)N[C@H](C(C)(C)C)C(=O)N2CCC(CC2)CCN2Cc3n(C2=O)c(nc3C)C)cc1	SCHEMBL3448667,PC-id_58858039	529.074	ZDXVYSCNUHREKN-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159382
CC1CCC(N1S(=O)(=O)C2=C3C=CCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278689	529.125	QJWGUNUMZRDMFO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-159383
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC=C2COC3=CC=C(C=C3)CN4CCOCC4	PC-id_149889731	529.225	CEYBCUBXSFFAAJ-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159384
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)SC(=C2)COC3=CC=C(C=C3)CN4CCOCC4	PC-id_153305160	529.225	LQGIFVLADFKHED-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159385
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COC3=CC=C(C=C3)CN4CCOCC4	PC-id_150710911	529.225	JNVYAZLENFXEEL-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159386
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COC3=CC=CC(=C3)CN4CCOCC4	PC-id_153305156	529.225	OHUQGPNKGRNMJG-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159387
Brc1cc(sc1)C(=O)Nc1n[nH]c2C(N(Cc12)C(=O)Nc1c(Cl)cccc1Cl)(C)C	SCHEMBL3485561,PC-id_24948072	529.238	HTJIVLKHDAEMOW-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-159388
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=C(C=CC=C3Cl)C)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587068	529.246	YQAAXJXKTXYYME-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159389
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942132	529.28	QXNHQIHWQORSCJ-PQCQUMGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159390
CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C	PC-id_164107455	529.28	XUAHKZDPNHBDNH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159391
CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_256055487,PC-id_117588397	529.363	IIPKGIJEKCNUCD-ZDLGFXPLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159392
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)C(=O)OCC)c2=O	MCULE-6118867425	529.363	IIPKGIJEKCNUCD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159393
CC1CCCCC(CCC(CCC1)C)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)NC(C)C4CCOCC4	PC-id_154973899	529.399	GZYWWUBCNWLBSV-UHFFFAOYSA-N	00000010100010000101000010000000000000000000000000000000	25-01-159394
O=C(Cc1ccc(cc1F)c1cnc(nc1)Nc1cnn2c1OCC2)Nc1noc(c1)C1(CC1)C(F)(F)F	SCHEMBL18420763	529.446	QNYXXJOFFAXDGL-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159395
OC(Cc1ccc(cc1F)c1cnc(nc1)Nc1cn2c(n1)CCC2)Nc1noc(c1)C1(CC1)C(F)(F)F	SCHEMBL18464483	529.489	VGUICBZYDYWCGN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159396
FC(F)(F)c1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCN(CC2)c2[nH]c(=O)ccc2)(C)C)cc1	PC-id_10369683	529.514	HKBRXWBDMXZXGH-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-159397
CN1CCN(CC1)c1ccc(c(c1)[N+](=O)[O-])C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24751333,SCHEMBL4277982	529.544	FIMZQPVKJZJRPY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159398
CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24751606,SCHEMBL4285001	529.544	XGMASVKMADWOQK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159399
CCOC(=O)c1ccc(c2ccc(/C=c/3sc4nc(/C=C/c5ccc(OC)c(OC)c5)nn4c3=O)o2)cc1	EMOLS-id_45965891,ZINC22_97946805	529.564	GIWFAQLRRCXNMF-YCJXACBQSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159400
CCOC(=O)c1ccc(c2ccc(C=c3sc4nc(/C=C/c5ccc(OC)c(OC)c5)nn4c3=O)o2)cc1	ZINC22_254618853	529.564	GIWFAQLRRCXNMF-JPDSTMFRSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159401
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-6070244561	529.564	GIWFAQLRRCXNMF-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159402
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)NC(=c1c(=C)ccs1)N=C(C(F)(F)F)N)C	PC-id_88934371	529.58	HPNAVHZAMBWHQN-UHFFFAOYSA-N	00100010100100110001100010000000000000000000000000000000	25-01-159403
O(C(C(Oc1oc2CCCc2n1)C(=O)O)(c1ccccc1)c1ccccc1)CCc1cc(OC)c(OC)cc1	PC-id_9893187	529.58	XPLRIIWIPOEEED-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159404
O=C(N1Cc2c(C1(C)C)[nH]nc2N/C(=c/1sccc1=C)/N=C(/C(F)(F)F)N)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL12560630	529.58	HPNAVHZAMBWHQN-WGEJVVIBSA-N	00100010100100110001100010000000000000000000000000000000	25-01-159405
CCOC(=O)c1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408617045	529.585	DZKUZZXFAJGIRU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159406
CCOC(=O)c1c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408625903	529.585	JOOJWKOIIQVYKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159407
COC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCC2	PC-id_121041467	529.585	WHGNCDMZUXDLIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159408
COC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCC2	PC-id_121043497	529.585	OISXKYNEJTUSPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159409
COC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCC2	PC-id_121045515	529.585	LGOQOBGJGDDKMZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159410
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1CNC1CCCC1	PC-id_67008767,SCHEMBL1370549	529.602	MTNFOHRKXSDUAS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159411
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC[C@H]2NCCC2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524051	529.602	FAPYECPNDDCYEV-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159412
CC[N+]1(c2c(cc(s2)C(=O)OC(C)(C)C)C(=N1)NC(=O)c1ccc(cc1)OC1CCN(CC1)C)C(=O)O	PC-id_90972607	529.628	VNWRHUXYWDDVMW-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-159413
COC(=O)C(C(=O)NC(c1sc2c(n1)CCC2)Cc1ccc(cc1)NS(=O)(=O)O)Cc1ccccc1	PC-id_66766972,SCHEMBL679815	529.628	STDCKISMORGPRW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159414
COC(=O)[C@H](C(=O)N[C@H](c1sc2c(n1)CCC2)Cc1ccc(cc1)NS(=O)(=O)O)Cc1ccccc1	SCHEMBL679814,PC-id_24815591	529.628	STDCKISMORGPRW-FPOVZHCZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159415
O(CC(=O)N1CCCC1)c1ccc(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1	SCHEMBL2916669,PC-id_10280002	529.63	ZMHWJSWUOOYAAD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159416
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661718,PC-id_4095607,EMOLS-id_16381955,MCULE-8624836662	529.632	ZTDKACOVEHMCLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159417
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-5448585910,EMOLS-id_16381903,CoCoCo_2661049,PC-id_4123076	529.632	HFBUZNDKQGSBKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159418
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_16381941,PC-id_3258297,MCULE-1583128497,CoCoCo_2661577	529.632	HLVKVEOVVAKQHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159419
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_16381921,CoCoCo_2661354,PC-id_3353879,MCULE-6785523908	529.632	WWPFVYCZIYDCCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159420
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053494	529.632	FUUGWMAHHPJEFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159421
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1occc1	PC-id_44053316	529.632	GZAWYKFNZNYZMG-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-159422
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(nn2C)NC(=O)c1cc(ccc1)NC(=O)C=C)C	SCHEMBL20741115,PC-id_137497859	529.633	YANZGRPGNGIGRE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159423
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(nn2C)NC(=O)c1ccc(cc1)NC(=O)C=C)C	SCHEMBL20754517,PC-id_137509673	529.633	LTMXBUKGMDPOPI-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159424
CC1(c2nn(c(c2CN1C(=O)NC(CN(C)C)c1ccccc1)NC(=O)c1ccc(cc1)NC(=O)C=C)C)C	PC-id_137497898,SCHEMBL20741161	529.633	ZNSLFIXWQIPEDT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159425
O([C@H]1[C@@H](n2nnc(c2[C@@H]1OC(=O)C)CCCCCCCCCCCC)COc1ccc(OC)cc1)C(=O)C	PC-id_46856208	529.668	SSRQBWIAFWKMLA-ZXRKZBAXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159443
CC(C)C1c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1ccc(cc1)NC(=O)C=C	SCHEMBL20741146,PC-id_137497888	529.633	LKOVKVCJUKBIKS-GEPVFLLWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159426
CC(C)[C@@H]1c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1ccc(cc1)NC(=O)C=C	PC-id_137497887,SCHEMBL20741145	529.633	LKOVKVCJUKBIKS-ANWICMFUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159427
CC(C)[C@H]1c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1ccc(cc1)NC(=O)C=C	SCHEMBL20741176,PC-id_137497912	529.633	LKOVKVCJUKBIKS-NASUQTAISA-N	00000010100000110001000010000000000000000000000000000000	25-01-159428
CC(C)[C@H]1c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1ccc(cc1)NC(=O)C=C	PC-id_137497911,SCHEMBL20741175	529.633	LKOVKVCJUKBIKS-BVAGGSTKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159429
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2C(C)C)C(=O)NC(c1ccccc1)CN(C)C	PC-id_145111621	529.633	LKOVKVCJUKBIKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159430
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN([C@@H]2C(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878766,PC-id_121444013	529.633	LKOVKVCJUKBIKS-ZEQKJWHPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159431
CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3cccc(NC(=O)C=C)c3)nn(C)c2C1(C)C)c1ccccc1	BindingDB-id_989410,SCHEMBL17878639,PC-id_121443949	529.633	YANZGRPGNGIGRE-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159432
CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n(C)nc2C1(C)C)c1ccccc1	BindingDB-id_989411,SCHEMBL17878751,PC-id_121444005	529.633	ZNSLFIXWQIPEDT-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159433
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)Nc1ccn(n1)C)CCn1c(C)cc2c1CC(C2)(C)C	SCHEMBL21235795,PC-id_139381196	529.633	XBCROIJLFXPLOF-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-159434
CC(=C)C(c1cccc(c1)CCCC(=O)c1c(sc2c1CCC2)NC(=O)C1CCCCC1C(=O)O)(F)F	PC-id_135200388,SCHEMBL20353973	529.638	XBZYZLYSNXVFIV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159435
c1(NC(=O)C2CC(=O)N(CCc3ccc(c(OC)c3)OC)C2)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-3256455950,EMOLS-id_334388503	529.648	HODSNLIHDMWJPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159436
COCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)C2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1	BindingDB-id_546123,PC-id_117999667,BindingDB_PC-id_117999667,SCHEMBL16624988	529.65	UHOGSNMQYDKVLS-PZEDNMLSSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159437
CCNc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1)F	PC-id_25156310,SCHEMBL7015595	529.653	XDAFIZQAOQWETA-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-159438
OC(=O)N1CCC(CC1)S(=O)(=O)c1cc(NCCS(=O)(=O)C)nc(c1)Nc1sc2c(n1)CCC2	SCHEMBL17397934,PC-id_118628214	529.653	KQBBMADWFFSODX-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159439
CCN(C([C@H]1CC[C@@H](C(C1)NC(=O)c1sc2c(n1)CN(C2)C)NC(=O)C(=O)Nc1ccc(cn1)C)O)C	PC-id_142914875	529.655	XSOBIVPBQJSJGM-ZJFNZLPDSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159440
O(C1C(n2nnc(c2C1OC(=O)C)CCCCCCCCCCCC)COc1ccc(OC)cc1)C(=O)C	PC-id_75234158	529.668	SSRQBWIAFWKMLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159441
O([C@H]1[C@@H](n2nnc(c2[C@H]1OC(=O)C)CCCCCCCCCCCC)COc1ccc(OC)cc1)C(=O)C	PC-id_46856063	529.668	SSRQBWIAFWKMLA-PIZZNKLWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159442
CCCc1onc(c1)C(=O)Nc1n[nH]c2c1CN(C2C)C(=O)N(C[C@H](N(CC1CCOCC1)CC)C)CC	SCHEMBL14038403,PC-id_71053185	529.675	XUUAFXMKVZQPME-MRTLOADZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159444
O1CCC(CN(C(CN(C(=O)N2C(c3[nH]nc(NC(=O)c4noc(c4)CCC)c3C2)C)CC)C)CC)CC1	PC-id_77996737	529.675	XUUAFXMKVZQPME-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159445
CCc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)CC	SCHEMBL1983981,PC-id_24947514	529.676	HCCGXCSGSGPBLK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159446
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1C(C)(C)C	SCHEMBL1984379,PC-id_24947701	529.676	IQDJICFNIXYZMN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159447
CCOC(=O)n1nc2c(c1NC(=O)C1(CC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1CC	PC-id_140883032	529.679	QAHKWNNMMFXKBQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-159448
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@H](Cc1ccc(cc1)F)C	SCHEMBL19772044,PC-id_134170873	529.69	MYYVPSZZMWLVCV-MDYZWHIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159449
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@@H](Cc1ccc(cc1)F)C	SCHEMBL19772224,PC-id_134171044	529.69	MYYVPSZZMWLVCV-QOBPCVTDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159450
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)[C@@H](Cc1ccc(cc1)F)C	SCHEMBL18368082	529.69	MYYVPSZZMWLVCV-WXTAPIANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159451
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)[C@H](Cc1ccc(cc1)F)C	SCHEMBL18368084	529.69	MYYVPSZZMWLVCV-HFJWLAOPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159452
NCc1ccc(cc1)CC(=O)C([C@H]([C@@]1(C)C(=O)c2c(C1=O)sc(c2)C)C(=O)C)[C@H](c1ccc(c(c1)C)C)C	SCHEMBL13114235,PC-id_70840267	529.69	CMZHCVWRYIVCGZ-VTBXALHESA-N	00000010100000110000000010000000000000000000000000000000	25-01-159453
s1c2C(=O)C(C(C(C(c3cc(c(cc3)C)C)C)C(=O)Cc3ccc(cc3)CN)C(=O)C)(C(=O)c2cc1C)C	PC-id_77940393	529.69	CMZHCVWRYIVCGZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159454
COc1cc(OC)c(cc1C(=O)N1Cc2c(C1)cc(s2)CN1CCN(CC1)C(=O)OC(C)(C)C)C(C)C	PC-id_141750759	529.691	SFTKAFAUALZHDQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159455
c1(NC(=O)C2CC(=O)N(c3ccc(cc3)CCCC)C2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-5218139712,EMOLS-id_334330023	529.693	TZWSTKHUNCVKLQ-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-159456
c1(NC(=O)C2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	EMOLS-id_334331047,MCULE-9650052699	529.693	IWAMUTCYCVRRFT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-159457
CCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537462	529.695	BLAVKOWURUSLIL-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159458
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cc(cc2C)C)C)cc1)C(=O)OC	PC-id_19678882	529.695	YRDHWXCOGBMKJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159459
CCc1scc(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	BindingDB_PC-id_66738935,SCHEMBL597531,PC-id_66738935	529.698	XAQPXIVMGWYWTL-SJORKVTESA-N	00000010100010000001000010000000000000000000000000000000	25-01-159460
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1sc(nc1C)C)C	BindingDB_PC-id_59508358,SCHEMBL598452,PC-id_59508358	529.698	OVQIYJJDLGXOMY-CVEARBPZSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159461
s1cc(nc1CC)C(=O)Nc1n[nH]c2C(N(C(=O)N3C(CN(C(C3)C)CC3CCOCC3)C)Cc12)(C)C	PC-id_77182962	529.698	XAQPXIVMGWYWTL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159462
s1c(C(=O)Nc2n[nH]c3C(N(C(=O)N4C(CN(C(C4)C)CC4CCOCC4)C)Cc23)(C)C)c(nc1C)C	PC-id_72310484	529.698	OVQIYJJDLGXOMY-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159463
N#C[C@]1(C)CC[C@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC	SCHEMBL18367856	529.718	PAOUXUZTZFAZMJ-SQOVJYTMSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159464
N#C[C@]1(C)CC[C@@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC	SCHEMBL18367859	529.718	PAOUXUZTZFAZMJ-ZNCVFPSASA-N	00000010100010101001000010000000000000000000000000000000	25-01-159465
Fc1ccc(cc1)C(CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817044	529.722	KSOQPDOAECYBJL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159466
Fc1cccc(c1)C(CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817146	529.722	GZMSOGXRSJDOFI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159467
Fc1cccc(c1)[C@@H](CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630853	529.722	GZMSOGXRSJDOFI-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159468
Fc1ccc(cc1)[C@@H](CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_141630860	529.722	KSOQPDOAECYBJL-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159469
Fc1ccc(cc1)[C@@H](CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C	PC-id_145072792	529.722	GTJUGJUYPLEWEI-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159470
OCC(C(c1ccccc1F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(C)C	PC-id_140817055	529.722	QXDBDXYGIPZISB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159471
OCC(C(c1cccc(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(C)C	PC-id_140817058	529.722	GTRHOSYXIMKDCC-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159472
OCC(C(c1ccc(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(C)C	PC-id_140817107	529.722	AIYGGQPTCHNSKV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159473
OCC(C(c1ccc(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)(C)C	PC-id_145072808	529.722	KNLCSQCXLCKEKW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159474
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)NC(c1ccccc1F)CC(O)(C)C	PC-id_140817035	529.722	GEAULFKAKHKMNX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159475
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N[C@@H](c1ccccc1F)CC(O)(C)C	PC-id_141630861	529.722	GEAULFKAKHKMNX-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159476
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COC3=NC=C(C=C3)CN4CCOCC4	PC-id_150733438	530.22	JSHXZTKUYHMZMY-FQEVSTJZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159494
COCC(C(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(C)C	SCHEMBL19537381	529.738	DZPKHMULHFZOEQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159477
CC(C1N[n+]2c(N1Cc1ccc(cc1)C)c(c([nH]2)C(C)(C)C)/C=c/1c2nc(nn2nc1C(C)(C)C)C(C)C)C	PC-id_144147967	529.743	XABGQIIBZIRRTM-JWGURIENSA-O	00000010100000110001000010000000000000000000000000000000	25-01-159478
C1C(SC2=C(C(=NN21)Br)[N+](=O)[O-])CN3C(=C(C(=N3)Br)[N+](=O)[O-])Br	PC-id_154724194	529.764	KRQMYGOJEAMSCL-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-159479
c1(NC(=O)CCCOc2ccc(cc2Br)Cl)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-8136027021,EMOLS-id_334385178	529.875	ZXXSAFZRTCYCKP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159480
c1(NC(=O)CCCOc2ccc(cc2Cl)Br)sc2c(CCC2)c1C(=O)NCCCOC	MCULE-1747039978,EMOLS-id_334387225	529.875	PAZKUPUCXXYSTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159481
Brc1sc2=C/C(=C(C(F)(F)F)/c3cc4c(n3B(F)F)cc(s4)Br)/N=c2c1	PC-id_139258900	529.936	KXQSTXGIYUDOBJ-AWNIVKPZSA-N	00000010100000000000000110000000000000000000000000000000	25-01-159482
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)Oc1c(cc(cn1)C(F)(F)F)Cl	SCHEMBL14055697,PC-id_89237127	529.94	XGNWOJYIYXGOGA-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-159483
Clc1ccc(nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1	PC-id_66738651,SCHEMBL596414	530.062	KGSMSBGTOBOZJQ-SJORKVTESA-N	00000010100010101001000010000000000000000000000000000000	25-01-159484
Clc1ccc(nc1)C(=O)Nc1n[nH]c2C(N(C(=O)N3C(CN(C(C3)C)CC3CCOCC3)C)Cc12)(C)C	PC-id_77182903	530.062	KGSMSBGTOBOZJQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159485
Clc1ccc(NC(=O)NC(C(C)(C)C)C(=O)N2CCN(CC2)CCN2Cc3n(C2=O)c(nc3C)C)cc1	PC-id_23138273	530.062	ZSHDARWJYRVBMS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159486
Clc1ccc(NC(=O)N[C@H](C(C)(C)C)C(=O)N2CCN(CC2)CCN2Cc3n(C2=O)c(nc3C)C)cc1	PC-id_58857954,SCHEMBL3449282	530.062	ZSHDARWJYRVBMS-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159487
CC1=CN(N=C1S(=O)(=O)N2C=C3CN(CC3=N2)C(=O)C4(COC4)C5=C(C=CC=N5)Cl)CC(F)(F)F	PC-id_164872100	530.075	QKKGKXXCCUCYJV-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-159488
CC(C[C@@H](C(=O)NCCCNS(=O)(=O)c1ccc(cc1Cl)F)NC(=O)c1sc2c(c1)CCC2)C	PC-id_11591837,SCHEMBL5446412	530.075	MDIGFDICMZSOTO-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159489
Clc1c(S(=O)(=O)NCCCNC(=O)C(NC(=O)c2sc3CCCc3c2)CC(C)C)ccc(F)c1	PC-id_73022239	530.075	MDIGFDICMZSOTO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159490
CC(C)(C1=CC(=NO1)NC(=O)CC2=C(C=C(C=C2)C3=CN=C(N=C3)CC4=C5N(CCO5)N=C4)F)C(F)(F)F	PC-id_161079342	530.169	UFRWDCYXKZQSON-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159491
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)CC4(CCC(CC4)CCC(=O)O)C)F	PC-id_164992882	530.198	ZUGFWUXOROFVOV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159492
Cc1nn2CCN(c2c1C(=O)NCc1ccc(cc1)C(=O)OC)Cc1cc(c(cc1)CCCO)C(F)(F)F	PC-id_164011315	530.214	ASOTZRNNLTWPAT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159493
c1(NC(=O)C)c(Br)cc(cc1Br)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-1735623509,EMOLS-id_328007985	530.23	CWQNCQIDEUCNKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159495
CCCc1nnc2n1C(CC2)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl	SCHEMBL4503235,PC-id_69069823	530.403	ONAGWXPWWQSFSS-OYKVQYDMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159496
CCCc1nnc2n1[C@@H](CC2)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl	SCHEMBL4503230,PC-id_69069821	530.403	ONAGWXPWWQSFSS-OALUTQOASA-N	00000010100000110001000010000000000000000000000000000000	25-01-159497
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4CCC)CC3)C(=O)O)cc2)ccc(Cl)c1	PC-id_11656657	530.403	JMNVMXCJCSWEFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159498
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4CCC)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_77598325	530.403	ONAGWXPWWQSFSS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159499
O=C(Cc1c2C(CCn2c(=S)n1C(O)(O)O)Cc1cc(Br)ccc1F)NC1CCOCC1	PC-id_139293670,SCHEMBL21136153	530.408	CMYPTNLRCSOHBP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159500
c1(NC(=O)COc2cccc(c2)NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCC2)c1C#N	MCULE-9915651412,EMOLS-id_323219046	530.423	XKTQECDPZJAUAM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159501
OCc1ccc(cc1F)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18758503	530.438	IUJJRJSUWVXAPG-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159502
[O-][N+](=O)c1cn2c(n1)C[C@@](C2)(C)COc1ccccc1n1nnc(c1)COc1ccc(cc1)OC(F)(F)F	PC-id_122501189,SCHEMBL18031094	530.456	UVEFVDXYBIBBFC-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159503
FC(F)(F)Oc1ccc(CN2CCC(=CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_69480874,SCHEMBL5540598	530.496	KHGQEFIQKSOFKU-RUZDIDTESA-N	00000010100011110001100010000000000000000000000000000000	25-01-159504
FC(F)(F)Oc1ccc(CN2CCC(=CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5540604,PC-id_23081518	530.496	KHGQEFIQKSOFKU-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-159505
COCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CC(F)(F)C3)c3c[nH]nn3)n3CCCc23)ccc1F	SCHEMBL21398800,PC-id_139525502,BindingDB-id_980754	530.499	OELVFJPJVBDGGF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-159506
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)c(F)c(F)c(F)c1F)C)C(=O)OC	PC-id_20170575	530.534	GCWPZSKZCJIFFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159507
Brc1c2n(CCC2C(=O)OCCCCCCCCCCCC)c(c1C)C(=O)c1ccc(cc1)C	PC-id_20404987,SCHEMBL11005844	530.537	YAXFVUPFHFWRFK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159508
OCCCc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758601	530.539	RJOLMCFEIBHLMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159509
OCCCc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL21081541,PC-id_138705379	530.539	WGIKPCIBACYLNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159510
OCCCc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	PC-id_140931270	530.539	WGIKPCIBACYLNM-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159511
OCCCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL21081540,PC-id_138705378	530.539	RJOLMCFEIBHLMN-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159512
CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)sc2c1CCC2	ZINC22_408617898	533.059	HPHZYCDHIWJFAV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159789
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(O)CN(C1)C(=O)O)C	SCHEMBL18729983,PC-id_118368791	530.55	UAYWHJYOGYONFJ-HSZRJFAPSA-N	00001010100000110001100010000000000000000000000000000000	25-01-159513
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(O)CN(C1)C(=O)O)C	SCHEMBL18729984	530.55	UAYWHJYOGYONFJ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-159514
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-3459856446	530.552	VVINSYCQRXLOLK-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159515
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-9614486497	530.552	KTPCIYPXAKMAFO-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159516
s1c2CCC(c2nc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_16947950	530.562	JWPMSEBWMASPJC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159517
CCOC(=O)n1nc2c(c1NC(=O)C1=C(CC=C(C=C1)N(C)C)[N+](=O)[O-])CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_143531811	530.573	URGZECUPFFVIAY-UHFFFAOYSA-N	00000010100000000111000010000000000000000000000000000000	25-01-159518
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCC(Oc3ccc(n4ccnc4)cc3)CC2)cc1)C	PC-id_53469837	530.575	WMFNJWYCSYSFFS-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159519
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCC(Oc3ccc(n4ccnc4)cc3)CC2)cc1)C	PC-id_76037159	530.575	WMFNJWYCSYSFFS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159520
CCc1cccc(c1)CNC[C@H]([C@H](Cc1cc(F)cc(c1)F)NC(=O)CC1Sc2n(C1=O)cc(n2)O)O	SCHEMBL3350960,PC-id_68608645	530.587	OBJFOKORAVXUKV-UGGDCYSXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159521
CCc1cccc(c1)CNC[C@@H]([C@H](Cc1cc(F)cc(c1)F)NC(=O)CC1Sc2n(C1=O)cc(n2)O)O	SCHEMBL3350967,PC-id_68608650	530.587	OBJFOKORAVXUKV-LGTSYYJHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159522
S1C(CC(=O)NC(C(O)CNCc2cc(CC)ccc2)Cc2cc(F)cc(F)c2)C(=O)n2c1nc(O)c2	PC-id_21086555	530.587	OBJFOKORAVXUKV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159523
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524068	530.587	OWOOFSXAYHYTJA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159524
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccc(c(c1)F)F	PC-id_24751184,SCHEMBL4293077	530.59	RPCPJEFCSCDJKL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159525
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_16730513,SCHEMBL4279848	530.59	XOODZZICEDCUNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159526
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NCC1CCCN1	PC-id_67010223,SCHEMBL1374329	530.59	NIUBFDPFJZHOIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159527
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NC[C@@H]1CCCN1	PC-id_57749893,SCHEMBL1374325	530.59	NIUBFDPFJZHOIK-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159528
CC(=O)OC1CC(C1)N1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484884,PC-id_135315411	530.593	HOPFODJJUYIDMT-UHFFFAOYSA-N	00001010100000000001100010000000000000000000000000000000	25-01-159529
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)[C@@H]1C[C@@H](C1)OC(=O)C)C	SCHEMBL20484886	530.593	HOPFODJJUYIDMT-JPCBRJRNSA-N	00001010100000000001100010000000000000000000000000000000	25-01-159530
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)[C@@H]1C[C@H](C1)OC(=O)C)C	SCHEMBL20485373	530.593	HOPFODJJUYIDMT-DUNBPCILSA-N	00001010100000000001100010000000000000000000000000000000	25-01-159531
COC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)sc2c1CCC2	ZINC22_408603061	530.613	FDEKJTTUTPVOPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159532
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408618016	530.613	IRMXYUIBINJIFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159533
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408617749	530.613	JAQFJVIGTKKLKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159534
COC(=O)c1c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408610464	530.613	QYKJXUOKMCXJMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159535
COC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408626399	530.613	WXOXYJQHMAEBDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159536
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NCCc1ccc(S(=O)(=O)N)cc1	PC-id_16948114	530.616	OCZZCQRIJKXBPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159537
CC1(c2c(CN1C(=O)OC(CN(C)C)c1ccccc1)c(nn2C)NC(=O)c1ccc(cc1)NC(=O)C=C)C	PC-id_137497916,SCHEMBL20741180	530.618	GMWAVNKSTCWVMZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159538
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)nn(C)c2C1(C)C)c1ccccc1	PC-id_121444010,SCHEMBL17878762,BindingDB-id_989415	530.618	GMWAVNKSTCWVMZ-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159539
CO[C@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)CCC(=O)C)c1ccccc1	SCHEMBL18484432	530.618	RKEHCIUYJOHWOB-SANMLTNESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159540
O=CCCN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)C(c1ccccc1)OC	SCHEMBL21372408,PC-id_139502849	530.618	SEDQDDHTUGTJPC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159541
O=CCCN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)[C@H](c1ccccc1)OC	SCHEMBL21372311,PC-id_139502760	530.618	SEDQDDHTUGTJPC-SANMLTNESA-N	00000010100010110001000010000000000000000000000000000000	25-01-159542
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)C(c1ccccc1)C	PC-id_73172457	530.618	FLKPIQZQZYKNSD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159543
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)[C@@H](c1ccccc1)C	PC-id_11994442	530.618	FLKPIQZQZYKNSD-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159544
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)[C@H](c1ccccc1)C	PC-id_11994443	530.618	FLKPIQZQZYKNSD-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159545
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)Nc1noc(c1)C)CCn1c(C)cc2c1CC(C2)(C)C	PC-id_138649981,SCHEMBL21018358	530.618	LKWYIRRUBDMJED-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-159546
CN(C)CCNC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C	BindingDB-id_989373,SCHEMBL17878664,PC-id_121443965	530.621	FYSDPHKGVBRASN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159547
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC=C)C(=O)OCC	PC-id_19640588	530.635	BFIJRTQQSOYYQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159548
c1(NC(=O)c2ccc(C(=O)Nc3sc4c(CCC4)c3C(=O)OC)s2)sc2c(CCC2)c1C(=O)OC	ZINC22_97985340,PC-id_5090873,EMOLS-id_5475024,MCULE-6261544560,CoCoCo_5018653	530.636	ZOTQVKQFSJHLRH-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-159549
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)N(C)C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	SCHEMBL20485331,PC-id_135315803	530.636	ILXLTVCCPFXUBA-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-159550
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)N(C)C)(C(=O)NO[C@@H]1CCCCO1)S(=O)(=O)C	SCHEMBL20485330,PC-id_135315802	530.636	ILXLTVCCPFXUBA-UFUCKMQHSA-N	00100010100010000001000010000000000000000000000000000000	25-01-159551
O=C([C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)N(C)C)C)NOC1CCCCO1	SCHEMBL18588137	530.636	ILXLTVCCPFXUBA-NRWPOFLRSA-N	00100010100010000001000010000000000000000000000000000000	25-01-159552
O=C([C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)N(C)C)C)NO[C@@H]1CCCCO1	SCHEMBL18588135	530.636	ILXLTVCCPFXUBA-RCZVLFRGSA-N	00100010100010000001000010000000000000000000000000000000	25-01-159553
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1	PC-id_25159109,SCHEMBL3330895,BindingDB-id_546107,BindingDB_PC-id_25159109	530.638	DXSDTCDZVQVXDQ-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-159554
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)N(C[C@@H]1C)CC1CCOCC1)F	PC-id_118205635,SCHEMBL16872518	530.638	INRPDENDBHJXKV-DJNXLDHESA-N	00000010100010100001000010000000000000000000000000000000	25-01-159555
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@H](C)N(C[C@@H]1C)CC1CCOCC1)F	PC-id_59333979,SCHEMBL7013885	530.638	INRPDENDBHJXKV-IRXDYDNUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159556
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@H]1C)CC1CCOCC1)F	SCHEMBL16872519,PC-id_118205636	530.638	INRPDENDBHJXKV-IAGOWNOFSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159557
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1)F	SCHEMBL3327090,PC-id_25158850	530.638	INRPDENDBHJXKV-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-159558
COCc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1(C)C)CC1CCOCC1)F	SCHEMBL11900527,PC-id_68156993	530.638	ITZMDXQGMNZEFS-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159559
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC)C(=O)OCC	PC-id_19640205	530.659	FVTOSTVNWYRTNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159560
CC1(c2c(CN1C(=O)OC(C)(C)C)c(n[nH]2)Nc1nc(nc(c1)N1CCN(CC1)C)C=Cc1ccccc1)C	PC-id_91314084	530.664	QPIIRKWHBDHSIF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159561
CN1CCN(CC1)c1cc(nc(n1)/C=C/c1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_57757801,SCHEMBL10122890	530.664	QPIIRKWHBDHSIF-OUKQBFOZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159562
O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1c(NC(=O)C2CCCCC2)sc2c1CCC2	MCULE-1247324983,EMOLS-id_43712719,ZINC22_13138058,PC-id_4849061,CoCoCo_2889315	530.678	YEVMJDTTZKBCRD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159563
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)sc2c1CCC2	ZINC22_408630265	530.679	QTOANNQDLABPNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159564
OCC1CCN(CC1)Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(cc1)C)CCC2	SCHEMBL266180,PC-id_23107601	530.681	KTZXUNDLSUABCU-KBVAKVRCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159565
s1c2c(CCC2)c(c1NC(=O)c1cc(CN2CCC(CC2)CO)ccc1)C(=O)NN=Cc1ccc(cc1)C	PC-id_66637790	530.681	KTZXUNDLSUABCU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159566
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(c(cc2)C)C)nn1)C)C(=O)OCC	PC-id_24153240	530.683	QMEIJODHTYZJJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159567
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCc2ccccc2)nn1)C)C(=O)OCC	PC-id_24156783	530.683	BPTJASJGQAZXPV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159568
COc1cc(C)c(c(c1C)C)S(=O)(=O)/N=C/1NCCN1C(=S)SN1CCn2c1nsc2=S	PC-id_24205590,NSC736207	530.731	PYVUMCDRFUTOSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159569
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)C(c1ccccc1)COCc1ccccc1	PC-id_140817089	530.733	DEOFKRXJZFFWCI-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-159570
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)[Si](C)(C)C)[C@@H](c1ccccc1)COCc1ccccc1	PC-id_141487845	530.733	DEOFKRXJZFFWCI-XMMPIXPASA-N	00100010100000110001000010000000000000000000000000000000	25-01-159571
CCCCC(Oc1cc(C)c(c(c1)C)/C(=C/1C=c2c(=N1)cc(s2)C)/c1[nH]c2c(c1)sc(c2)C)CCCC	SCHEMBL9885758,PC-id_57774005	530.787	ZNARMHPRMTZMPI-VEWQFJOQSA-N	00000010100000110000000110000000000000000000000000000000	25-01-159572
s1c2c([nH]c(C(=C3N=c4c(=C3)sc(c4)C)c3c(cc(OC(CCCC)CCCC)cc3C)C)c2)cc1C	PC-id_76601923	530.787	ZNARMHPRMTZMPI-UHFFFAOYSA-N	00000010100000110000000110000000000000000000000000000000	25-01-159573
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1cc(C)c(c(C)c1Br)Cl)C(=O)OC	PC-id_19202154,MCULE-7199631959	530.817	BTTGGDWYSQJQRP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159574
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(NC)O)C(=O)Nc1cc(c(c(c1)Cl)F)F	SCHEMBL20259593,PC-id_134605030	530.9	IWLOEUSDIFCFFX-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159575
Clc1c(COCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(F)c1	PC-id_5278905	530.976	SMTLVPBTFYMRJH-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159576
Clc1c(COCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(F)c1	PC-id_78381740	530.976	SMTLVPBTFYMRJH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159577
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_24223628,MCULE-5426924188	531	JVBNTCRJDRKORZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-159578
[C-]#[N+]C1(CCC(CC1)CC(=O)O)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_165003889	531.137	IRCDJVMHSZQAPG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159579
CC1CCC(N1S(=O)(=O)C2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278680	531.141	DOOLXBVODMGUEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159580
CC1=C(C=CC(=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)CCC(=O)O)C)F	PC-id_164992880	531.194	VZPWAEUTVMQAAG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159581
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)CCC(=O)O)C)F	PC-id_165035273	531.194	IPJUFTXWBQQKOT-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159582
CC1CCC(C1NS(=O)(=O)C2=C3C=CCN3C(=C2C)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278805	531.195	GVUPVPMPRLGCEG-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-159583
Brc1c(OCC(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(cc(Br)c1)C(=O)C	PC-id_2368917	531.215	VMGOKIPZMJYDAR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159584
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CCSCc1ccccc1	PC-id_78141267	531.258	IRYRDZMLJCHYHM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159585
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CCSCc1ccccc1	PC-id_71658300	531.258	IRYRDZMLJCHYHM-MDYRTPRTSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159586
CCCC(C/C=CC)C1=CC(=NC(=C1N)NC(=O)N2CC3=CN(N=C3C2)CC4CN(C4)C)C5=CC=C(C=C5)F	PC-id_155036424	531.312	NCXHUYXRNPPWKQ-XQRVVYSFSA-N	00001010100000111001100010000000000000000000000000000000	25-01-159587
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)N(c1ccccc1Cl)Cl)NC(=O)c1ccc(cc1)N	PC-id_87319879,SCHEMBL1983449	531.391	NATGZYITGGXDIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159588
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)N)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	SCHEMBL1983447,PC-id_67236941	531.391	ZBPJVIWHVYIFEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159589
Cc1ccc(cc1)S(=O)(=O)c1cc(n2c1sc(=CN(C)C)c2=O)C(=O)c1ccc(cc1)Br	MCULE-6039174763,EMOLS-id_26188903	531.442	KALFJTCEAONXCN-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159590
Cc1ccc(S(=O)(=O)c2cc(C(=O)c3ccc(Br)cc3)n3c(=O)/c(=C/N(C)C)/sc23)cc1	ZINC22_103464296	531.442	KALFJTCEAONXCN-UYRXBGFRSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159591
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@]1(COP(=O)(O)O)F)(C(=O)NO)S(=O)(=O)C	PC-id_135306919,SCHEMBL20474994	531.448	SADNYYZUTLMJAA-VBSNWNEZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-159592
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@]1(COP(=O)(O)O)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20474991,PC-id_135306917	531.448	SADNYYZUTLMJAA-BEVDRBHNSA-N	00100010100000000001000010000000000000000000000000000000	25-01-159593
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#C[C@H]1CC1(F)COP(=O)(O)O)C	SCHEMBL18498423	531.448	SADNYYZUTLMJAA-SXBLTQOBSA-N	00100010100000000001000010000000000000000000000000000000	25-01-159594
O=C(Cc1ccc(cc1F)c1cnc(nc1)Nc1cnn2c1OCC2)Nc1noc(c1)C(C(F)(F)F)(C)C	SCHEMBL18421030	531.462	CGKUEFUPWVZKNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159595
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_18848756,MCULE-7756541259	531.494	SABDUJLRKSUCMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159596
CCCCCCCCCCC(CN1C(=O)c2c(C1=O)csc2I)CCCCCC	SCHEMBL18504927	531.533	IZGJXFZLHSDUAA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159597
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)sc2c1CCC2	MCULE-6643325354,ZINC22_2630088,CoCoCo_2998181,EMOLS-id_43750605,PC-id_2092498	531.561	RNJVPZZGWDWRKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159598
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCC(Oc3ccc(n4ncnc4)cc3)CC2)cc1)C	PC-id_53466739	531.563	BJVIFWWCDAYROM-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159599
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(CN2CCC(Oc3ccc(n4ncnc4)cc3)CC2)cc1)C	PC-id_76035866	531.563	BJVIFWWCDAYROM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159600
c1(NC(=O)CSc2nc(c3ccccc3)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AM-807/14147307,MCULE-8552967075,CoCoCo_6930091,ZINC22_8451106,EMOLS-id_3750044,STOCK3S-09644,PC-id_1773494	531.57	BAKWPVXNCLDINA-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-159601
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1CN1CCOCC1	SCHEMBL1371236,PC-id_67009001	531.575	GDFFXJJFEWAFHG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159602
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NC1CCOCC1	SCHEMBL1372775,PC-id_57749837	531.575	QTAJEUKYZLVSHD-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159603
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cncc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524092	531.575	CMDUUHRCCARYRY-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-159604
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCC2OCCC2)nccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524097	531.575	CHWOVCAMZJYDCQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159605
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(N)cc(N2CCOCC2)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524114	531.575	FRMXEMNFGMYRDQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159606
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)CN(C)C)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524083	531.575	HLCWSIHNNPBOOR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159607
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1ncccc1NC1CCOCC1)(C)C)c1cc(F)cc(F)c1	PC-id_58524098	531.575	JLPNMPSPTAHSNT-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-159608
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)F)sc2c1CCC2	PC-id_121040978	531.576	HCTWQVNQXSZCDA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159609
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)F)sc2c1CCC2	PC-id_121042227	531.576	LSHMBHIUEHOMAU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159610
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)F)sc2c1CCC2	PC-id_121044650	531.576	VGSYSMSAYGFACX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159611
O=C(N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1)Cc1ccc(cc1)NS(=O)(=O)C	PC-id_10208743,SCHEMBL2922413	531.583	WHLPPMKLJBERCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159612
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCCCC1	SCHEMBL3895809,PC-id_68829711	531.603	MDSYHOVFEZWNET-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159613
O(C(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCCCC3)cc2)C(=O)OCC)C1)c1ccccc1)C	PC-id_21873997	531.603	MDSYHOVFEZWNET-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159614
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2occc2)cc1	PC-id_44053235	531.604	UBMBAPVJAXACHC-UHFFFAOYSA-N	00000010101010110001000010000000000000000000000000000000	25-01-159615
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-8165801190,PC-id_4154776,EMOLS-id_16381975	531.623	BFQCTULMLNTWKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159616
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(F)c3)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-4676604183,EMOLS-id_16381969,PC-id_4655148	531.623	UCKWEZQKWKBRQY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159617
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	CoCoCo_2662382,PC-id_98229505	531.623	UCKWEZQKWKBRQY-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159618
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_98229421,CoCoCo_2662520	531.623	BFQCTULMLNTWKI-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159619
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_98229422,CoCoCo_2662519	531.623	BFQCTULMLNTWKI-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159620
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	PC-id_98229504,CoCoCo_2662381	531.623	UCKWEZQKWKBRQY-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159621
C=CCOC(=O)N1C[C@H](C[C@H]1CCN1CCn2c1ccn2)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C	PC-id_67705467,SCHEMBL8832601	531.624	OWHQZEYDOSTCIA-JGFIGGHZSA-N	00001011100000000001001010000000000000000000000000000000	25-01-159622
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1CC(N(C1)C(=O)OCC=C)CCN1CCn2nccc12	PC-id_19971424	531.624	OWHQZEYDOSTCIA-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-159623
C[C@@](CCN1Cc2cc(C#Cc3ccc(CN4CCOCC4)cc3)sc2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4568236	531.644	QHECGCGFKLRGDA-RUZDIDTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-159624
c1(c2CCCc2sc1NC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)OCC	SPECS-id_AP-064/41806933,PC-id_1818515,MCULE-4408099425,CoCoCo_6968378,ZINC22_2182492,EMOLS-id_22050207	531.646	AQGNXZANOCEMLF-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-159625
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661513,MCULE-8403221634,PC-id_4624445,EMOLS-id_22700444,ZINC22_100817270	531.648	CRYGETNOGIAYLT-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-159626
CCC(=O)Nc1ccc(cc1)C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C)C	SCHEMBL20741165,PC-id_137497901	531.649	NZQUDZVBHRRUBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159627
CCC(=O)Nc1ccc(cc1)C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C)C	PC-id_137497899,SCHEMBL20741163	531.649	NZQUDZVBHRRUBL-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159628
CCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C(CNC(=O)CCCOc1ccc(cc1)OC)C)C)CC	PC-id_102010494	531.649	BRESGYNYWKJLBC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159629
C=CCC(c1cc(nc(c1N)NC(=O)N1Cc2c(C1)cn(n2)CC1CN(C1)C)c1ccc(cc1)F)CC(C)C	SCHEMBL20367040,PC-id_135211642	531.667	GLECOHXKLRRMBR-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-159630
O=C(N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])OCc1ccc(cc1)O[Si](C(C)(C)C)(C)C	PC-id_23081300,SCHEMBL5543421	531.677	TXSBMXVQAKLIMH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159631
CCOC(=O)n1nc2c(c1NC(=O)C([Si](C)(C)C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1CC	PC-id_140882932	531.695	REFCFYGQCNVXPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159632
CCN(CCNCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(cc1)C)CCC2)CC	SCHEMBL269494,PC-id_23108016	531.712	LUYZWGDDVQMCGG-UZWMFBFFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159633
CCOC(=O)c1c(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408616405	533.059	YSQVNVFZBSOSKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159790
s1c2c(CCC2)c(c1NC(=O)c1cc(CNCCN(CC)CC)ccc1)C(=O)NN=Cc1ccc(cc1)C	PC-id_66639472	531.712	LUYZWGDDVQMCGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159634
CC1(c2c(CN1C(=O)Nc1c(cccc1Cl)C(F)(F)F)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348560,PC-id_135195430	532.022	MUPHIFYADIFOOB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159635
Clc1sc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44005378	532.053	YFTPVYXSVSXKRD-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-159636
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_44005850	532.053	IMQOKOOWWWHZDY-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-159637
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_44028027	532.053	DOPMQZWBOXMCAZ-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-159638
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OC)cc1	PC-id_44029145	532.053	DFCJNEXTDOXJJJ-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-159639
Clc1ccc(NC(=C)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_77472111	532.058	ASIZHCHQDPBGMW-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159640
Clc1ccc(NC(=C)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(C)C)nc1	PC-id_68300389,SCHEMBL12507873	532.058	ASIZHCHQDPBGMW-BHYGNILZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159641
Clc1cccc(c1)C(C1Sc2n(C1O)nc(n2)C)N1CCN(CC1)C(c1ccccc1)c1ccccc1	SCHEMBL14665182,PC-id_71241368	532.099	DRLXVPFRRWAGIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159642
CCS(=O)(=O)c1ccc(c(c1)C)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl	SCHEMBL18367887	532.118	ZSCREYVRDHRRFG-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159643
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CCc1ccc(cc1)Cl	PC-id_134170901,SCHEMBL19772073	532.118	YYMPQXVYLMFGAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159644
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)C(N([C@H]2C(C)C)Cc1ccc(cc1)Cl)C	SCHEMBL18367988	532.118	AETYOVIFDIFXFS-UCSBTNPJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159645
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CCc1ccc(cc1)Cl	PC-id_134166984,SCHEMBL19767324	532.118	YYMPQXVYLMFGAU-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159646
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)[C@](N(C2)Cc1ccc(cc1)Cl)(C)C(C)C	SCHEMBL18367975	532.118	IGJKJIAMNHBACL-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-159647
C1CC2=C(C(=C(N2C1)C(=O)C(=O)NC3(CCC(CC3)CC(=O)O)C#N)Cl)C(=O)NC4=CC(=C(C=C4)F)F	PC-id_149500872	532.133	ZGZAHVCIZSOXNX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159648
C1C(CN1C(=O)C(F)(F)F)CN2C3=C(CN(C3)C(=O)CC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-])C=N2	PC-id_160920298	532.148	DLIMAWUJDNFZEM-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-159649
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2C)C(=O)C(=O)NC4(CC(C4)(F)F)C5=CN(N=N5)C)F	PC-id_161064295	532.185	ORBTVKJOWMSZHI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-159650
CCOC(=O)c1c(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)C)cc2)sc2c1CCC2	ZINC22_408624785	533.059	UMBNTWLRADGVHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159791
CC1=C(C=C(C=C1)NC(=O)C2=C3CCCN3C(=C2C)C(=O)C(=O)NC4(CC(C4)(F)F)C5=NNN=C5)C(F)F	PC-id_160601085	532.185	AVVHAOGJGZZMKP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-159651
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC(=C5)Cl)Cl)C	PC-id_152715692	532.201	ZUNZTNYRKZQIHL-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159652
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5)Cl)OC)F	PC-id_150270962	532.225	GDOBHPIRGFWDIO-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159653
Cc1nn2c(nc(n2)CCNC(=O)c2c(c(c(c(c2F)F)F)F)F)c1=Cc1cc(c(c(c1)Cl)O)Cl	PC-id_136045455	532.25	VICMTKBZPQYQRD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159654
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)C)C(F)(F)F	PC-id_151789774	532.266	RWJLXDLJDIFSKW-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159655
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC(=C5)CC(F)(F)F	PC-id_152450712	532.266	XTJYAQVHOCEPDV-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159656
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)C(F)(F)F)C	PC-id_151822930	532.266	SCZWEBYFEJNDPT-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159657
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)C(F)(F)F)C	PC-id_151825077	532.266	SDLCDYRSDARAPV-KDURUIRLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159658
CC1CCN(CC1)C2=CC=C(C=C2)C(=O)CC3=CC=C(C=C3)NC4=CC=C(C=C4)CC(=O)C5=NNC6=C5CCC6	PC-id_162163081	532.284	AKFAYFFNABKRQC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159659
[2H]C([2H])([2H])N1C2=C(CN(C2(C)C)C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=N1)NC(=O)C4=CC=C(C=C4)NC(=O)C=C	PC-id_164941712	532.299	LTMXBUKGMDPOPI-QJKDGYSHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159660
Ic1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cccc1	PC-id_44053834	532.397	PVIBBAOOLLFLDM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159661
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-3568387423	532.408	ANUXFRLINHKFAP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159662
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-8407272599	532.408	OLULLIRVRUBJJR-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159663
Clc1ccc(C(=O)N(CC2Cn3c(C2=NOC(=O)c2ccc(Cl)cc2)ccc3)c2ccc(cc2)C)cc1	PC-id_56694654	532.417	KEUWSKXNFCEQJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159664
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)c1noc(c1)COc1ccc(cc1)OC(F)(F)F	PC-id_91668257	532.425	KMFASYXPHMHWSP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159665
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)c1noc(c1)COc1ccc(cc1)OC(F)(F)F	SCHEMBL16618215	532.425	KMFASYXPHMHWSP-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159666
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccccc1n1nnc(c1)COc1ccc(cc1)OC(F)(F)F	PC-id_117999628,SCHEMBL16624948	532.429	IWPIPXCCEPLGFI-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159667
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1cccc(c1)n1nnc(c1)COc1ccc(cc1)OC(F)(F)F	SCHEMBL16624963,PC-id_117999642	532.429	JGCJTQUOJPPBJY-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159668
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)n1nnc(c1)COc1ccc(cc1)OC(F)(F)F	SCHEMBL16625037,PC-id_102503364	532.429	JYLNXPXYFPKIFB-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159669
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)OC	MCULE-9788856932,PC-id_4187468	532.436	DCJWMZCEIHZMOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159670
Clc1c(COc2c(OC)cc(/C=C/C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)c(Cl)ccc1	PC-id_1678523	532.436	DCJWMZCEIHZMOW-ZRDIBKRKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159671
CC(C)(C)[Si](C)(C)OCc1c(cc2n1C(=O)[C@H](C2C(C(=O)OC)C(=O)OC)C(=O)OC)Br	PC-id_134843338	532.454	XISRDRSERYUDFQ-LOACHALJSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159672
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)sc2c1CCC2	EMOLS-id_43859411,CoCoCo_3374352,PC-id_16321799,ZINC22_103007004,MCULE-3500795940	532.46	PGAZRDQVGZIPIN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159673
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-5615221910,PC-id_18848843	532.482	IAGXAFCPDPTEQS-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-159674
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C)C(F)F	SCHEMBL20252950,PC-id_134599049	532.49	AVTIOKOLKJPNBK-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-159675
O(C1C(n2c(nc(c2C#N)C#N)C1OC(=O)c1ccccc1)COC(=O)c1ccccc1)C(=O)c1ccccc1	PC-id_85445581	532.503	BBGJSRNCTLOLNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159676
O([C@@H]1[C@@H](n2c(nc(c2C#N)C#N)[C@@H]1OC(=O)c1ccccc1)COC(=O)c1ccccc1)C(=O)c1ccccc1	PC-id_15658813	532.503	BBGJSRNCTLOLNR-JIMJEQGWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159677
O([C@@H]1[C@H](n2c(nc(c2C#N)C#N)[C@@H]1OC(=O)c1ccccc1)COC(=O)c1ccccc1)C(=O)c1ccccc1	PC-id_15658814	532.503	BBGJSRNCTLOLNR-TWJOJJKGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159678
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)COCCO	PC-id_135360687,SCHEMBL20539071	532.512	ZGTBCWXTJWZQAP-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159679
FC(F)(F)c1ccc(COC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278839,SCHEMBL2093878	532.512	BZEVHFMZMRQXIO-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159680
FC(F)(F)c1ccc(COC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2093885,PC-id_67275205	532.512	BZEVHFMZMRQXIO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159681
FC(F)(F)c1ccc(COCC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_67275446,SCHEMBL2095114	532.512	PZBNQRHSSRJSBI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159682
FC(F)(F)c1ccc(OCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_11249571,SCHEMBL1044030	532.512	BWJLFXXCFPAKGL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159683
FC(F)(F)c1ccc(OCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_11410018,SCHEMBL1047270	532.512	BWJLFXXCFPAKGL-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159684
FC(F)(F)c1ccc(OCC2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1044032,PC-id_11410017	532.512	BWJLFXXCFPAKGL-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159685
FC(F)(F)Oc1cc(CC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_5278899,SCHEMBL2090293	532.512	CZZBWKCTAFRLQP-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159686
FC(F)(F)Oc1cc(CC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_67274551,SCHEMBL2090298	532.512	CZZBWKCTAFRLQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159687
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1044069,PC-id_11785908	532.512	LIHAMHITZYORAW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159688
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1044070,PC-id_11489472	532.512	LIHAMHITZYORAW-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159689
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1045088,PC-id_5278841	532.512	LIHAMHITZYORAW-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159690
FC(F)(F)Oc1ccc(CCC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL2091953,PC-id_67274850	532.512	MGGNPVAIBNYISV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159691
FC(F)(F)Oc1ccc(CCC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL2091948,PC-id_5278919	532.512	MGGNPVAIBNYISV-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159692
FC(F)(F)Oc1ccc(CN2CCC(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_10392279,SCHEMBL5541327	532.512	OGZYKVAFRSEKTB-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159693
FC(F)(F)Oc1ccc(CN2CCC(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5541337,PC-id_10075739	532.512	OGZYKVAFRSEKTB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159694
FC(F)(F)Oc1ccc(CN2CCC(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5541607,PC-id_10075740	532.512	OGZYKVAFRSEKTB-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159695
FC(OC)(C1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)c1c(F)cc(F)cc1	PC-id_46181076	532.512	HXQZWVMEBGXZIS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159696
F[C@](OC)(C1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)c1c(F)cc(F)cc1	PC-id_46181148	532.512	HXQZWVMEBGXZIS-AMVUTOCUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159697
OCCOc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758629	532.512	AKQXVVITTXBJQO-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159698
OCCOCc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18739999	532.512	ZGTBCWXTJWZQAP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159699
FCCCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758767	532.53	YQGFEFUQNTVOEU-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159700
FC(F)(F)c1ccc(OC(CCNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c2ccccc2)cc1	SCHEMBL13050327,PC-id_42633595	532.553	KLIPTRYZWHHOPB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159701
FC(F)(F)c1ccc(O[C@H](CCNC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)c2ccccc2)cc1	PC-id_59581829,SCHEMBL13050328	532.553	KLIPTRYZWHHOPB-MPSNESSQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159702
CCCC1(F)CC(C1)(NC(=O)C(=O)c1c2CCCn2c(c1C)C(=O)Nc1ccc(c(c1)F)F)C(=O)N(C)C	PC-id_142295094	532.555	BUXVXOSRFMWKNP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159703
CN1CC(C1)Oc1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL4283352,PC-id_68985898	532.563	RWNBTBAAWOVGIB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159704
CN(CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	SCHEMBL1375079,PC-id_57749880	532.563	MXCAYNIYVGIUEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159705
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1N)N1CCOCC1	SCHEMBL1374755,PC-id_57703866	532.563	RTGMIXHVQRCJJI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159706
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccnc1NC1CCOCC1	PC-id_67009790,SCHEMBL1373123	532.563	ODQGYHZLJNBUJU-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-159707
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccnc1NCC1CCCO1	SCHEMBL1371530,PC-id_57749864	532.563	SHDSNIQLGNUKKF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159708
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccncc1NC1CCOCC1	SCHEMBL1370551,PC-id_57749872	532.563	CGMWQNYSKHUHKF-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-159709
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncccc1NC1CCOCC1	SCHEMBL1372856,PC-id_57749883	532.563	IXPQMMKSSXQAGT-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-159710
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)N1CC(C1)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484830,PC-id_135315370	532.566	MGIAZZFCBLTNGZ-HSZRJFAPSA-N	00101010100000000001000010000000000000000000000000000000	25-01-159711
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(COC(=O)N2CC(C2)O)CC1)C	SCHEMBL20484831	532.566	MGIAZZFCBLTNGZ-UHFFFAOYSA-N	00101010100000000001000010000000000000000000000000000000	25-01-159712
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)sc2c1CCC2	CoCoCo_2951606,PC-id_3385290,MCULE-6514086117,EMOLS-id_43732272,ZINC22_103102845	532.586	BBAUEHYSUVWPII-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-159713
O=C(c1cccc(c1)C(=O)c1ccccc1)Nc1cc2c(s1)S(=O)(=O)N(C2)C(c1ccccc1)C(=O)O	SCHEMBL13786588,PC-id_57791643	532.587	MBWOZRSTMNRYPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159714
O=C(c1cccc(c1)C(=O)c1ccccc1)Nc1cc2c(s1)S(=O)(=O)N(C2)[C@H](c1ccccc1)C(=O)O	SCHEMBL13786629,PC-id_57791684	532.587	MBWOZRSTMNRYPP-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159715
O=C(c1cccc(c1)C(=O)c1ccccc1)Nc1sc2c(c1)S(=O)(=O)N(C2)C(c1ccccc1)C(=O)O	SCHEMBL13786592,PC-id_57791526	532.587	QBZKSJBFSTWGOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159716
O=C(c1cccc(c1)C(=O)c1ccccc1)Nc1sc2c(c1)S(=O)(=O)N(C2)[C@H](c1ccccc1)C(=O)O	SCHEMBL13786630,PC-id_57791715	532.587	QBZKSJBFSTWGOC-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-159717
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)O)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL2925410,PC-id_11994312	532.591	XPYOBSBAIBJDFH-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159718
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC)c1ccccc1	PC-id_67030791,SCHEMBL1433932	532.591	SSFHIJIQUXMJSH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159719
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC)c1ccccc1	SCHEMBL1433930,PC-id_67030790	532.591	SSFHIJIQUXMJSH-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159720
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(cc1)OCC=C	MCULE-6160455133	532.591	ZLLJDLRNRFVPKZ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159721
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)C(O)c1ccccc1	PC-id_21874025	532.591	XPYOBSBAIBJDFH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159722
CCON=C(C(=O)NC1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cc2c(n1C)CCC2)c1nsc(n1)N	PC-id_141549397	532.596	GQDIYJYXSBOGCP-JANGERMGSA-N	00001010100011000001001010000000000000000000000000000000	25-01-159723
CN(CC1CCn2c1ccc2C(=O)c1ccccc1)CCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F	SCHEMBL2363441,PC-id_53373002	532.596	YFRRDXOWEMHFRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159724
CN(CC1CCn2c1ccc2C(=O)c1ccccc1)CC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F	PC-id_53373135,SCHEMBL2363439	532.596	YFRRDXOWEMHFRK-BRUPJXTFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159725
FC(F)(F)c1ccc(O[C@@H](CCN(CC2CCn3c2ccc3C(=O)c2ccccc2)C)c2ccccc2)cc1	PC-id_53373134	532.596	YFRRDXOWEMHFRK-QNGSWNHHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159726
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nc(nc(n1)N1CCCC1C(=O)N)OC)C	PC-id_89796585	532.597	ADLXAUUKZGQFIO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159727
COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CCC[C@H]1C(=O)N	BindingDB-id_218911,BindingDB_PC-id_68669036,PC-id_68669036,SCHEMBL3505383	532.597	ADLXAUUKZGQFIO-VJFUWPCTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159728
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2C[C@@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N	SCHEMBL12143754,PC-id_59474181	532.597	ADLXAUUKZGQFIO-IKJNGHJTSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159729
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N	SCHEMBL1368445,PC-id_67008015	532.597	ADLXAUUKZGQFIO-JQHSSLGASA-N	00100010100000110001100010000000000000000000000000000000	25-01-159730
COc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@H]2C[C@@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N	SCHEMBL15247473	532.597	ADLXAUUKZGQFIO-NJAFHUGGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159731
CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC22_408619793	532.604	NNJFSWNQHPZFAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159732
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c2ccc(F)cc2)cc1	ZINC22_408616434	532.604	GHZPDIQGROZCRG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159733
CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CCN(CC4(O)CCOCC4)C[C@@H]2C)C3(C)C)n1	BindingDB_PC-id_59333965,SCHEMBL7014531,BindingDB-id_546110,PC-id_59333965	532.611	PANNGWQUUBKGKW-INIZCTEOSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159734
COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C1CCc2n1c(nn2)Cc1ccsc1)OC	SCHEMBL4516888,PC-id_69075753	532.611	QXXGQGLDDCNPDU-BGERDNNASA-N	00000010100100110001100010000000000000000000000000000000	25-01-159735
COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCc2n1c(nn2)Cc1ccsc1)OC	PC-id_69075750,SCHEMBL4516873	532.611	QXXGQGLDDCNPDU-SFTDATJTSA-N	00000010100100110001100010000000000000000000000000000000	25-01-159736
Fc1c(Nc2n[nH]c3C(N(Cc23)C(=O)N2C(CN(CC3(O)CCOCC3)CC2)C)(C)C)nc(OCC)nc1	PC-id_72257746	532.611	PANNGWQUUBKGKW-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-159737
s1cc(Cc2n3C(CCc3nn2)C(=O)NC(Cc2ccc(cc2)c2c(OC)cccc2OC)C(=O)O)cc1	PC-id_77599145	532.611	QXXGQGLDDCNPDU-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-159738
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC)C(=O)OC	PC-id_19731282	532.632	PRLYCCPGJSEUHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159739
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)C)C(=O)OCC	PC-id_17301863	532.632	RTFVRHYRIMGWIW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159740
S1C(N(c2c1sc([N+]#[C-])c2)CS(=O)(=O)[O-])C=C1Sc2c(sc(c2)C#N)N1CS(=O)(=O)[O-]	PC-id_59893236	532.637	JJWZMQBTZPDIJV-UHFFFAOYSA-L	00000010100000000001000110000000000000000000000000000000	25-01-159741
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nc(nc(n1)N1CCCC1CO)N(C)C)C	PC-id_89796572	532.641	FEKJWXDXAUYDQV-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159742
CN(C)c1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(n1)N1CCC[C@H]1CO	BindingDB-id_218913,BindingDB_PC-id_91899631	532.641	FEKJWXDXAUYDQV-IVAAQHKWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159743
OC[C@@H]1CCCN1c1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2CC2c2ccccc2)nc(n1)N(C)C	PC-id_67008121,SCHEMBL1368745	532.641	FEKJWXDXAUYDQV-ZJRDLVKKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159744
OC[C@@H]1CCCN1c1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@H]2CC2c2ccccc2)nc(n1)N(C)C	PC-id_59474203,SCHEMBL12143759	532.641	FEKJWXDXAUYDQV-DXCJPMOASA-N	00100010100000110001100010000000000000000000000000000000	25-01-159745
OC[C@@H]1CCCN1c1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)nc(n1)N(C)C	PC-id_67008122,SCHEMBL1368746	532.641	FEKJWXDXAUYDQV-CMKODMSKSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159746
OC[C@@H]1CCCN1c1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@H]2C[C@@H]2c2ccccc2)nc(n1)N(C)C	SCHEMBL15247458	532.641	FEKJWXDXAUYDQV-NSHGMRRFSA-N	00100010100000110001100010000000000000000000000000000000	25-01-159747
s1c2CCC(C(=O)N3CCN(CC3)C/C=C/c3ccccc3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_16948110	532.654	QFPJKMUVLVSMCQ-RMKNXTFCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159748
s1c2CCC(C(=O)N3CCN(CC3)CC=Cc3ccccc3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_73340153	532.654	QFPJKMUVLVSMCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159749
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(OC)cc2)nn1)C)C(=O)OCC	PC-id_23933408	532.655	WENLEUWOTPUYCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159750
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(OCC)cc2)nn1)C(=O)OCC	PC-id_23798873	532.655	ZCGVFEBQCZDBJE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159751
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(OC)ccc2)nn1)C)C(=O)OCC	PC-id_24074497	532.655	KACZZRRPUBUINS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159752
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(OC)cccc2)nn1)C)C(=O)OCC	PC-id_23764180	532.655	VQXMZISQPILUJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159753
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(OCC)cccc2)nn1)C(=O)OCC	PC-id_24077666	532.655	NCZOKZOMYQNOLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159754
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)Cc2ccc(OC)cc2)nn1)C(=O)OCC	PC-id_23996385	532.655	QQMHUMVQWDPQTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159755
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	SPECS-id_AE-848/10153061,ZINC22_6599661,SPECS-id_AT-084/J158831,CoCoCo_1701424,EMOLS-id_3065112,SPECS-id_AN-153/I120991,TIMTEC476481,PC-id_3115400,MCULE-2346133989	532.672	UHCSCDSFLBZNRN-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159756
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CCc1ccccc1)c1ccccc1)C(=O)OC	PC-id_17047340	532.677	AREAMRYMXQCVRB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159757
s1c2c(CCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(Oc2ccccc2)ccc1)C)C(=O)OC	PC-id_19679562	532.677	GWXYFHLDAOCYJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159758
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19718282	532.699	UMIQDMGFLZKVJS-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-159759
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)C)C(=O)OCC	PC-id_19717478	532.699	CIRWMUDEXBCPFN-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-159760
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1(C)CC(C1)(C)C(=O)N	SCHEMBL18378821	532.718	VAEFKNCKYBGBCM-OIEGUCRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159761
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](CC1)C(=O)N	SCHEMBL18367945	532.718	VPHLZNFALNGLNR-JXQFQVJHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159762
COC(=O)c1c(NC(=O)C2SC(=C(C2=N)C(=O)NC2CCCCC2C)NCC(C)C)sc2c1CCC2	EMOLS-id_48981124,MCULE-1380656772	532.718	GNLCEAWZFFDFNL-UHFFFAOYSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159763
COC(=O)c1c(NC(=O)[C@H]2SC(=C(C2=N)C(=O)N[C@@H]2CCCC[C@@H]2C)NCC(C)C)sc2c1CCC2	CoCoCo_3774074	532.718	GNLCEAWZFFDFNL-PXARDIRTSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159764
COC(=O)c1c(NC(=O)[C@@H]2SC(=C(C(=O)N[C@@H]3CCCC[C@@H]3C)C2=N)NCC(C)C)sc2c1CCC2	CoCoCo_3774076,ZINC22_110561061,CoCoCo_3774075	532.718	GNLCEAWZFFDFNL-CMPZQBNXSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159765
COC(=O)c1c(NC(=O)[C@@H]2SC(=C(C(=O)N[C@H]3CCCC[C@@H]3C)C2=N)NCC(C)C)sc2c1CCC2	CoCoCo_3774080,ZINC22_245237230,CoCoCo_3774079	532.718	GNLCEAWZFFDFNL-WDUKFBBWSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159766
COC(=O)c1c(NC(=O)[C@@H]2SC(=C(C(=O)N[C@@H]3CCCC[C@H]3C)C2=N)NCC(C)C)sc2c1CCC2	ZINC22_245237223,CoCoCo_3774078,CoCoCo_3774077	532.718	GNLCEAWZFFDFNL-IUSZMWJPSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159767
COC(=O)c1c(NC(=O)[C@@H]2SC(=C(C(=O)N[C@H]3CCCC[C@H]3C)C2=N)NCC(C)C)sc2c1CCC2	ZINC22_245237226,CoCoCo_3774081,CoCoCo_3774082	532.718	GNLCEAWZFFDFNL-IVZHQMGZSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159768
s1c2c(CCC2)c(c1NC(=O)C1SC(=NCC(C)C)C(=C1N)C(=O)NC1C(CCCC1)C)C(=O)OC	PC-id_3574253	532.718	ZGHXPTXDYRAPKI-UHFFFAOYSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159769
s1c2c(CCC2)c(c1NC(=O)[C@H]1SC(=NCC(C)C)C(=C1N)C(=O)N[C@@H]1[C@@H](CCCC1)C)C(=O)OC	PC-id_51421481	532.718	ZGHXPTXDYRAPKI-ZJTDPSCFSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159770
s1c2c(CCC2)c(c1NC(=O)[C@H]1SC(=NCC(C)C)C(=C1N)C(=O)N[C@@H]1[C@H](CCCC1)C)C(=O)OC	PC-id_51665071	532.718	ZGHXPTXDYRAPKI-HTZUNMPGSA-N	00000011100010000000000010000000000000000000000000000000	25-01-159771
S(CC(=O)O[C@H]1[C@]2([C@H]3[C@@]([C@H]([C@H](O)[C@](C1)(C)C=C)C)(CC[C@H]2C)CCC3=O)C)Cc1sc2c(n1)CNC2	PC-id_78320848	532.758	HIYXZBJPESDCQB-ZHOIYGKWSA-N	00000010100010000101000010000000000000000000000000000000	25-01-159772
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)OC(=O)C)c2=O)C=Cc1ccc(cc1)Cl	MCULE-4671701938	532.794	YKAAGGRTWFOBRA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159773
CCCCC1(c2c(C(O1)(CCCC)CCCC)sc(c2C(=O)N)NC(=O)C1C(C1(C)C)(C)C)CCCC	PC-id_91607205	532.821	KUZIVFADVFWXRZ-UHFFFAOYSA-N	00100010100000000000000010000000000000000000000000000000	25-01-159774
Brc1cc(/C=N/c2sc3CCCc3c2C(=O)OCC)c(OC(=O)c2cc(Cl)ccc2)cc1	PC-id_23304145,CoCoCo_6878996	532.834	AFKLUXCYBSOMDI-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159775
c1(N=Cc2cc(Br)ccc2OC(=O)c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-2617040334,PC-id_4623645	532.834	AFKLUXCYBSOMDI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159776
CCOC(=O)c1c2CCCc2sc1/N=Cc1cc(Br)ccc1OC(=O)c1cccc(Cl)c1	SPECS-id_AE-848/36501023,EMOLS-id_45928256,CoCoCo_6878995,ZINC22_103147070	532.834	AFKLUXCYBSOMDI-WKIKZPBSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159777
Clc1c(S(=O)(=O)N2C(CCCC2)CCCC(=O)N2Cc3c(n(nc3C(F)(F)F)C)C2)c(ccc1)C	PC-id_44252131,SCHEMBL4352415	533.007	IHXRUEPLZYWTRS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159778
Cc1nn2c(nnc2/c/1=CCCc1cc(c(c(c1)Cl)O)Cl)CCCCCNI	PC-id_163673974	533.025	JFAFBLRVAOZSHY-AUWJEWJLSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159779
Clc1ccc(N(C2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(C)C)C(=O)C(=O)N)cc1	PC-id_77583899	533.043	OFMZQWNLFPKPGY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159780
Clc1ccc(N([C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(C)C)C(=O)C(=O)N)cc1	PC-id_68981852	533.043	OFMZQWNLFPKPGY-XCRHUMRWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159781
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(CN(C4)C)c3)CC(CC2)C(=O)N(C)C)nc1	PC-id_59676902,SCHEMBL14262215	533.043	LBVOTPAQBWHWDS-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-159782
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(C)C)cc1	PC-id_72355411	533.043	RTLLXCRZDIVGLQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159783
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(CN(C4)C)c3)C[C@H](CC2)C(=O)N(C)C)nc1	SCHEMBL3307750,PC-id_59676812	533.043	LBVOTPAQBWHWDS-RRQGHBQHSA-N	00000010100010101000000010000000000000000000000000000000	25-01-159784
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(C)C)cc1	SCHEMBL12036324,PC-id_59677114	533.043	RTLLXCRZDIVGLQ-RRQGHBQHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159785
CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)sc2c1CCC2	ZINC22_408605447	533.059	IWCANMGOTVWTGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159786
CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)sc2c1CCC2	ZINC22_408623902	533.059	ZYYDLXMGWOZWGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159787
CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)sc2c1CCC2	ZINC22_408629760	533.059	HNOSUVRFVSQGPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159788
CCOC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408615486	533.059	AUOUNROOTVRQPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159792
CCOC(=O)c1c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408630296	533.059	RHGLXWCVTMJZKH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159793
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408626195	533.059	UTZMCZFOSNOTKY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159794
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408624703	533.059	TZDYXSQBOFXKFG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159795
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408630366	533.059	SJZYWGMHIQWRKM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159796
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408616684	533.059	BERDCENKFDIMEO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159797
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408604867	533.059	IRQWTQLLRYQQDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159798
COC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408617982	533.059	ILBWJSMCPVQGDH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159799
COC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408623839	533.059	ZSNNFXXKUQHGCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159800
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408627958	533.059	RXVPEYBQFAWPPL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159801
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408630326	533.059	RWKCYKKKSFQNJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159802
c1(NC(=O)c2c(Cl)cnc(S(=O)(=O)CCC)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_18880107,MCULE-1644240961	533.063	INCOHSCWYLJUOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159803
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)c(OC)cc1	PC-id_19731695	533.063	MEAVLRICCHCQGV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159804
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_17302396	533.063	WEBSPHQUOSQKON-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159805
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1)C	PC-id_19634356	533.063	MFKUPVHQLRZQJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159806
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1)C	PC-id_20122098	533.063	UGSBXGDEEICNCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159807
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)ccc1	PC-id_20122794	533.063	JFPMWIWQLCJGSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159808
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cccc1	PC-id_19632007	533.063	NFMKUNDYHFSDHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159809
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc(cc1)C	PC-id_21164131	533.063	XDMGTMSPPKNARC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159810
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)cccc1	PC-id_19638755	533.063	TUALTECTASYSOD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159811
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(Cl)cn2)cc1	BindingDB_PC-id_145713335,PC-id_145713335,BindingDB-id_722767	533.106	SXQIZFHYVOWSAA-FYSMJZIKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159812
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(Cl)cn2)cc1	PC-id_145713334,BindingDB-id_722766,BindingDB_PC-id_145713334	533.106	SXQIZFHYVOWSAA-GYCJOSAFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159813
C1C(CN1C(=O)C(F)(F)F)CN2C3=C(CN(C3)C(=O)NC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-])C=N2	PC-id_160681029	533.143	CMEIKJSBNFXIKA-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-159814
CN1CC2=C(C1)SC(=C2)C(=[NH+][C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C)O	PC-id_163733751	533.173	LBVOTPAQBWHWDS-RRQGHBQHSA-O	00000010100010101000000010000000000000000000000000000000	25-01-159815
CN1C(=O)C(N2C1=NC=C2C(=O)NCC(=O)N3CC[C@H](C3)C4=NNN=N4)CC5=CC=C(C=C5)OC(F)(F)F	PC-id_149620161	533.175	ACYORCULYKRKFP-AFYYWNPRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159816
C[C@@]1(Cn2cc(nc2N1)[N+](=O)[O-])COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	PC-id_163837195	533.189	OITZXFAZDLXSGP-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159817
CCC(=O)C1(CC(C1)(F)F)NC(=O)C(=O)C2=C3CCC(N3C(=C2C)C(=O)NC4=CC(=C(C=C4)C)Cl)(C)C	PC-id_161754084	533.189	CWEZXVXTDJCMOX-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159818
CC1CCC(C1NS(=O)(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278733	533.211	RKNSAVXKWUUSPQ-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-159819
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=C(C=CC=C3Cl)F)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587066	533.221	UFXKGYZUNVPPEW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159820
COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_105352478,PC-id_4504712	533.257	LAOLJHIEJGDBER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159821
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccsc1)CC2=O	PC-id_11592231	533.3	JHIYJVDGLPMBGD-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-159822
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1sccc1)CC2=O	PC-id_11678598	533.3	UJNVUWXCIGDEQR-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-159823
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC3CCCCC3)CC1)CC2=O	PC-id_11533868	533.32	JIVDIFNJVUHGLK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159824
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1cccc(c1)[n+]1[nH]nc(c1)COc1ccc(cc1)OC(F)(F)F	PC-id_144820483	533.437	JGCJTQUOJPPBJY-JOCHJYFZSA-O	00000010100000110001100010000000000000000000000000000000	25-01-159825
Brc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_19729474	533.461	WUOKUBHIUQZXJC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159826
FCCOc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)N=O)C)c(n2)C(F)(F)F	PC-id_145296832	533.475	YSHQBRCFJPZNLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159827
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)C(=O)Nc1c(c(ncc1)C(C)F)F	SCHEMBL20252926,PC-id_134599025	533.478	UTKUOEYAFLIPJG-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-159828
CC1(Cn2cc(cc2O1)[N+](=O)[O-])COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	PC-id_89458565	533.496	YAFUVMICLNRXNA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159829
[O-][N+](=O)c1cn2c(c1)O[C@@](C2)(C)COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	SCHEMBL14803807	533.496	YAFUVMICLNRXNA-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-159830
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ncc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278930,SCHEMBL1045900	533.5	YUZRQEKPCYLTTF-XMMPIXPASA-N	00000010100010111001100010000000000000000000000000000000	25-01-159831
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ncc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66887400,SCHEMBL1045217	533.5	YUZRQEKPCYLTTF-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-159832
FC(F)(F)Oc1ccc(CC2CCN(CC2)c2ncc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66887683,SCHEMBL1046541	533.5	YUZRQEKPCYLTTF-DEOSSOPVSA-N	00000010100010111001100010000000000000000000000000000000	25-01-159833
FC(F)(F)Oc1ccc(CN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_10075772,SCHEMBL5536515	533.5	GZEWSZWWEUTZIP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159834
FC(F)(F)Oc1ccc(CN2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_10075773,SCHEMBL5544893	533.5	GZEWSZWWEUTZIP-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159835
FC(F)(F)Oc1ccc(CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_10459740,SCHEMBL5544901	533.5	GZEWSZWWEUTZIP-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159836
FC(F)(F)Oc1ccc(NC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278889	533.5	VWQGONNJWLERMS-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159837
FC(F)(F)Oc1ccc(NC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_78381731	533.5	VWQGONNJWLERMS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159838
[O-][N+](=O)c1cn2c(n1)O[C@](C2)(C)COc1ccc(cc1)N1CCNC[C@@H]1Cc1ccc(cc1)OC(F)(F)F	PC-id_141619663	533.5	GAFUQPWOIXBXTE-CYFREDJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159839
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)C(F)(F)F	PC-id_89236496,SCHEMBL14054926	533.519	ZIXSONRCAPNCCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159840
FC(F)(F)c1ccc(C(=O)Nc2n[nH]c3C(N(Cc23)C(=O)N2CCN(C3NC(=O)CCC3)CC2)(C)C)cc1	PC-id_85123671	533.546	OIDYPXUSZWRGGM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159841
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(F)cccc1CNC1CCC1	SCHEMBL1374675,PC-id_67010334	533.566	FYVNZZXMOXIVGR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159842
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCOCC1	PC-id_68443964,SCHEMBL2927297	533.576	UGOQPVUYCKGDIB-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159843
O(C(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCOCC3)cc2)C(=O)OCC)C1)c1ccccc1)C	PC-id_21874017	533.576	UGOQPVUYCKGDIB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159844
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C)NC(=O)c1ccc(cc1)N1CCC(CC1)F	PC-id_68830935,SCHEMBL3899781	533.594	IPXRCFBGFILGEX-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159845
FC1CCN(CC1)c1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)C(c2ccccc2)C)C(=O)OCC)cc1	PC-id_21874013	533.594	IPXRCFBGFILGEX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159846
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_19658780	533.595	UPAFPZKXXQRJTD-OCSSWDANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159847
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_4455737	533.595	YPZKBQOJNUTMAY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159848
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_73633281	533.595	UPAFPZKXXQRJTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159849
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_9671509	533.595	YPZKBQOJNUTMAY-OCSSWDANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159850
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2ccc(cc2)C)cccc1)C)C(=O)OCC	PC-id_4097235	533.595	IICGMHCCJKKVQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159851
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2ccc(cc2)C)cccc1)C)C(=O)OCC	PC-id_9646766	533.595	IICGMHCCJKKVQP-OCSSWDANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159852
CCON=C(C(=O)NC1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1cc2c(n1C)CCC2)c1nsc(n1)N	PC-id_141549398	533.604	GQDIYJYXSBOGCP-JANGERMGSA-O	00001010100011000001001010000000000000000000000000000000	25-01-159853
COc1cccc(c1NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)OC	SCHEMBL1989764,PC-id_24947700	533.622	RTKSFXDCKBMYTR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159854
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(c(cc3)C)C)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053596	533.642	YAEUBYBRELANEF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159855
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)F)Cc3s2)cc1	BindingDB-id_722776,PC-id_145713343,BindingDB_PC-id_145713343	533.654	FRMIHUDJMQGRNU-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159856
OC1n2c(C(=O)C1(C)C)cnc2CC[C@H](O)[C@H](C(N)(Cc1ccccc1)c1ccccc1)C(=O)OC(C)(C)C	SCHEMBL6667916,PC-id_69858698	533.658	KNDFPSSELIBSPN-OGSVZBAYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159857
OC1n2c(C(=O)C1(C)C)cnc2CCC(O)C(C(N)(Cc1ccccc1)c1ccccc1)C(=O)OC(C)(C)C	PC-id_77730869	533.658	KNDFPSSELIBSPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159858
OC1n2c(ncc2C(=O)C1(C)C)C(CC(O)C(C(N)c1ccccc1)C(=O)OC(C)(C)C)Cc1ccccc1	PC-id_77705210	533.658	UDORCWIHOOQQFA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159859
OC1n2c(ncc2C(=O)C1(C)C)C(CC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccccc1	PC-id_85330237	533.658	BVIYITRLHFKGBJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159860
OC1n2c(ncc2C(=O)C1(C)C)[C@@H](C[C@H](O)[C@H](C(N)c1ccccc1)C(=O)OC(C)(C)C)Cc1ccccc1	PC-id_69736906,SCHEMBL6306543	533.658	UDORCWIHOOQQFA-DCUVQVOZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159861
Brc1c(C(=O)c2n(c3C(CCC)C(=O)Oc3c2C)C)cc(Br)cc1Br	SCHEMBL7680924,PC-id_54008471	534.037	KQOWHBMNENABJD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159897
OC1n2c(ncc2C(=O)C1(C)C)[C@@H](C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccccc1	PC-id_10152759	533.658	BVIYITRLHFKGBJ-FFCRELTBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159862
S(=O)(=O)(N(C(=O)N1CCCC1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C)c1ccc(cc1)C	PC-id_43995435	533.66	GODZBNUARSPREO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159863
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(N(Cc3ccc(cc3)CC(C)C)C)CC2)cc1)C	PC-id_5278895	533.662	FGRCZRFFEXDRBJ-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159864
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(N(Cc3ccc(cc3)CC(C)C)C)CC2)cc1)C	PC-id_78381734	533.662	FGRCZRFFEXDRBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159865
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCC1OCCC1	PC-id_44053193	533.663	DPIDHYXRWFPLGC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159866
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccccc1)c1ccccc1)C(=O)OC	PC-id_17047166	533.665	PRNKRHMWTWZZRF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159867
C(=Cc1ccc(OCCCCC)c(OC)c1)(c1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)OCC	MCULE-4009025031	533.678	CRQRVRRCCOZJEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159868
CCCCCOc1ccc(/C=C(/C(=O)Nc2sc3CCCc3c2C(=O)OCC)c2ccccc2)cc1OC	EMOLS-id_327812476	533.678	CRQRVRRCCOZJEL-LYBHJNIJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159869
Fc1ccc(cc1)[C@@H](CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19536305	533.702	JJZWTCJIJZHZOW-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159870
Fc1cccc(c1)[C@@H](CC(O)(C)C)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19536315	533.702	ACPLJXZCFZMAIL-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159871
OCC(C(c1ccc(cc1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(C)C	SCHEMBL19537147	533.702	YPJIZSGFMLDLLT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159872
OCC(C(c1ccccc1F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(C)C	SCHEMBL19537485	533.702	VFKBEFGAOXZTFZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159873
OCC(C(c1cccc(c1)F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(C)C	SCHEMBL19537551	533.702	REXQUQYADZJIPZ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159874
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)N[C@@H](c1ccccc1F)CC(O)(C)C	SCHEMBL19537480	533.702	KWENKIVVCGHFII-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-159875
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)C(=O)O	PC-id_134170768	533.703	NELMLOYOOHNISY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159876
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CC[C@H](CC1)C(=O)O	SCHEMBL19771936	533.703	NELMLOYOOHNISY-MEQCVUQCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159877
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CC[C@@H](CC1)C(=O)O	SCHEMBL19772059	533.703	NELMLOYOOHNISY-QRQCMCJISA-N	00000010100010110001000010000000000000000000000000000000	25-01-159878
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](CC1)C(=O)O	SCHEMBL18367947	533.703	NELMLOYOOHNISY-GLDPYIMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-159879
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](CC1)C(=O)O	SCHEMBL18367951	533.703	NELMLOYOOHNISY-JXQFQVJHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-159880
BrCC(=O)NC1N(Cc2c1scc2C(=O)c1ccccc1Cl)C(=O)OCc1ccccc1	SCHEMBL7510717,PC-id_21624544	533.822	MWXQPMKVRKBECO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159881
BrCC(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CN(C2)C(=O)OCc1ccccc1	SCHEMBL7510715,PC-id_18995673	533.822	LZEJTXQISFWJSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159882
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)CCC	MCULE-3953135773	533.825	IXJADIOIZGVWEV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159883
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_105538114	533.849	SMMKEBUZTZRNQQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159884
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_117999653,SCHEMBL16624974	533.985	YYMSSUFCPHRTPD-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159885
COC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	PC-id_121041242	534.004	HSZIJHIDBICLIT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159886
COC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	PC-id_121043086	534.004	QSZIXAABLVCNEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159887
COC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	PC-id_121045105	534.004	HHWINYTYCHNUCB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159888
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)CCC	MCULE-6463051180	534.008	OCOUISIDEHLARS-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-159889
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-1318155156	534.026	RDVNANCJPXEORQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159890
n12nc(nc1sc(=Cc1ccc(c3ccccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-2356191175	534.026	ORDMJJWFPKHCME-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159891
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-4958974282	534.026	MELCVUXZGJQFET-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159892
Clc1ccc(N(C2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(C)C)C(=O)C(=O)N)nc1	PC-id_77589594	534.031	WVNCJFLAHKTDCU-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159893
Clc1ccc(N([C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(C)C)C(=O)C(=O)N)nc1	PC-id_69014154	534.031	WVNCJFLAHKTDCU-BJJXKVORSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159894
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_72355340	534.031	YNBSBHJILINXQG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159895
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(C)C)nc1	SCHEMBL12036264,PC-id_59676957	534.031	YNBSBHJILINXQG-AEGPPILISA-N	00000010100010101001000010000000000000000000000000000000	25-01-159896
CC(C)[C@@H]1C2=C(CN1CC3=CC=C(C=C3)OC(F)F)SC(=N2)CC(=O)CC4=CC=C(C=C4)S(=O)(=O)C	PC-id_149045620	534.146	QILOGVJQZWEGMD-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-159898
CC1(CCC(CC1)CCC(=O)O)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_165020644	534.173	OGGPSAQGKPWVQQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159899
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)CC4(CCC(CC4)CC(=O)O)C)F	PC-id_164992879	534.173	MQWKAJZGSIVRRI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159900
CC1(C2=C(CN1S(=O)(=O)C3=CC(CC(=C3)F)F)C(=NN2)NC(=O)C4=C(C=C(C=C4)N5CCOCC5)N)C	PC-id_148203019	534.186	KIMLXSMBTHYBOQ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-159901
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC=C5)OC(F)(F)F	PC-id_151951747	534.245	TWUMDIBTYRQQKK-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159902
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC=CC=C5OC(F)(F)F	PC-id_152067504	534.245	UUAFCIYJBLWUAH-HDICACEKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159903
C1CC2=C(C1)NN=C2C(=O)CC3=CC=C(C=C3)NC4=CC=C(C=C4)CC(=O)C5=CC=C(C=C5)N6CCC(CC6)O	PC-id_148407105	534.263	LSYZXKSBHIIPEM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159904
Brc1sc(Br)c2C(=O)C(CCCCCCCC)(CCCCCCCC)C(=O)c12	PC-id_58401178,SCHEMBL1498257	534.388	UNMNDZFWTHABOH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-159905
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-2791555258	534.424	VAJYJAOEGYVXOH-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159906
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-2930212895	534.424	IWGHDCHJQZYODH-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159907
Brc1cnc(nc1)C(C1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])(N1CCCCCC1)N1CCCCCC1	SCHEMBL3206138,PC-id_68549447	534.449	AGAWGNBUSFOWKB-UHFFFAOYSA-N	00000010100000100101000010000000000000000000000000000000	25-01-159908
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	EMOLS-id_301257498,HMDB0250966,D0S3NU,PD061426,SCHEMBL57792,PC-id_91864642,MCULE-3806697479,ChEMBL-DNDi_CHEMBLMMV688262	534.484	XDAOLTSRNUSPPH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159909
C[C@@]1(COc2ccc(cc2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+](=O)[O-]	PC-id_6477186,MCULE-4113623528,EMOLS-id_56747967,ZINC22_59699423,SCHEMBL1046813	534.484	XDAOLTSRNUSPPH-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159910
C[C@]1(COc2ccc(N3CCC(Oc4ccccc4OC(F)(F)F)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	PC-id_6483584,CHEMBL375779,SCHEMBL15295673	534.484	HZTGKTMOKDPIKN-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159911
C[C@]1(COc2ccc(N3CCC(Oc4cccc(OC(F)(F)F)c4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	PC-id_6483585,CHEMBL219638	534.484	URBKOGAJOULABR-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159912
C[C@@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2c([N+](=O)[O-])cnc2O1	PC-id_118712896,CHEMBL3330225	534.484	NFPHGLCDXYDWAG-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159913
FC(F)(F)Oc1ccc(COC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_11203426,SCHEMBL1048004	534.484	CZYBOKRPGOKQNN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159914
FC(F)(F)Oc1ccc(COC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_5278848,SCHEMBL1048003	534.484	CZYBOKRPGOKQNN-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159915
FC(F)(F)Oc1ccc(COC2CCN(CC2)c2ccc(OC[C@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1048057,PC-id_11785937	534.484	CZYBOKRPGOKQNN-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159916
FC(F)(F)Oc1ccc(COC2CCN(CC2)c2c(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cccc2)cc1	SCHEMBL3031944,PC-id_68486807	534.484	AHUOOHOCNQFNRR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159917
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(OCC3(n4c(OC3)nc([N+](=O)[O-])c4)C)cc2)cc1	PC-id_77422839	534.484	CMVCLEMKZBNZJY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159918
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(OC[C@]3(n4c(OC3)nc([N+](=O)[O-])c4)C)cc2)cc1	SCHEMBL12019589,PC-id_68198344	534.484	CMVCLEMKZBNZJY-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159919
FC(F)(F)Oc1ccc(OCC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1046683,PC-id_11191844	534.484	XIFNKFNVWNIALC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159920
FC(F)(F)Oc1ccc(OCC2CCN(CC2)c2ccc(OC[C@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_11156874,SCHEMBL1046682	534.484	XIFNKFNVWNIALC-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159921
FC(F)(F)Oc1ccc(OCC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1047661,PC-id_11226400	534.484	XIFNKFNVWNIALC-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159922
FC(F)(F)Oc1cc(OC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_78413386	534.484	URBKOGAJOULABR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159923
FC(F)(F)Oc1c(OC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_78413385,SCHEMBL15295674	534.484	HZTGKTMOKDPIKN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159924
F[C@@](Oc1c(F)cc(F)cc1)(OC)C1CCN(CC1)c1ccc(OCC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	PC-id_46181073	534.484	PLGRRPWMJXAMJX-GBAXHLBXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159925
FC(Oc1c(F)cc(F)cc1)(OC)C1CCN(CC1)c1ccc(OCC2Oc3n(C2)cc(n3)[N+](=O)[O-])cc1	PC-id_75164591	534.484	PLGRRPWMJXAMJX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159926
[O-][N+](=O)c1ccc(C#Cc2nn(c(c2N/N=C/2N=Nc3c2n(nc3C#Cc2ccc([N+](=O)[O-])cc2)C)C)C)cc1	PC-id_10626148	534.486	OSWDWLJBRUDYBZ-WCTVFOPTSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159927
[O-][N+](=O)c1ccc(C#Cc2nn(c(c2NN=C2N=Nc3c2n(nc3C#Cc2ccc([N+](=O)[O-])cc2)C)C)C)cc1	PC-id_85210500	534.486	OSWDWLJBRUDYBZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159928
CC[C@H]1N(Cc2cccc(c2)Br)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368104	534.489	OEXXEQRQIPBHAL-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159929
FC(F)(F)Oc1ccc(OC2CCN(c3ccc(OC[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)CC2)cc1	SD003781,MCULE-6549623848,DC-id_4819,PD073682,MCULE-7485070520,PC-id_6480466,EMOLS-id_50604466,KG-id_D09785,ZINC22_43100810,TT-id_D0S3NU,DB11637,SCHEMBL57791,CHEBI:134742,CHEMBL218650	534.492	XDAOLTSRNUSPPH-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159930
FCCOCc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740276	534.503	YTQGVJRVUUCQNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159931
FCCOCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758467	534.503	YTQGVJRVUUCQNV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159932
O=C1n2c(nnc2N=C1CC(=O)c1ccccc1)CCCCc1n2c(N=C(C2=O)CC(=O)c2ccccc2)nn1	SPECS-id_AT-225/NB51027,PC-id_51058899	534.525	RFWQDFKLDZMCLX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-159933
CN1CCN(CC1)c1ccc(cc1C(F)F)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_143531823	534.554	VEINODSAMNZUGH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159934
CN1CCN(CC1)c1ccc(c(c1)C(F)(F)F)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4280845,PC-id_68984770	534.554	WGLWDKQAPGVUSO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159935
CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4288084,PC-id_68988261	534.554	YYSWPDCWGSDLOB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159936
CN1CCN(CC1)c1ccc(c(c1)C(F)(F)F)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24752737,SCHEMBL4280835	534.554	JPEIJQWESVJNNF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159937
CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24752738,SCHEMBL4288078	534.554	BTPABERABWQAEG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159938
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1C(F)(F)F	SCHEMBL4278119,PC-id_24752304	534.554	OSQWZZDPPNWXPM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159939
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)C(F)(F)F	SCHEMBL4279737,PC-id_24752305	534.554	LNFSTJOJBPGSLA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159940
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(cc1)C(F)(F)F	SCHEMBL4285181,PC-id_24752306	534.554	YUOMBHIACCAPLO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159941
CN1CCN(CC1)c1cc(c(cc1)S(=O)(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccccc1)C(F)(F)F	PC-id_90825483	534.554	VLRQMEYDQKNFLQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159942
CCCC1(F)CC(C1)(NC(=O)C(=O)c1c2CCCn2c(c1C)C(=O)Nc1ccc(c(c1)F)F)C(N(C)C)O	PC-id_142295189	534.571	JJFZHBYDNYZPEH-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159943
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2)Cc1c(cc(cc1)C#N)C(F)(F)F	SCHEMBL19772197,PC-id_134171017	534.574	CTJNHSNTMLODMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159944
CN(CCOc1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	SCHEMBL4289554,PC-id_68988913	534.579	CZVQGWLQYYBVET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159945
FC(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)c1ccccc1	PC-id_73172414	534.582	BVPHPJUTHZYVAY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159946
F[C@@H](C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)c1ccccc1	PC-id_11994311	534.582	BVPHPJUTHZYVAY-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-159947
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)CC=C)C(=O)OCC	PC-id_19643218	534.599	YYRCYXLVMJKRMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-159948
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC=C)C(=O)OC	PC-id_17305874	534.599	KFWPCDIOLBRAOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159949
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CCNC1)F)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315352,SCHEMBL20484811	534.6	JWJBBJIFKXHNDK-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159950
O=C([C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(F)CNCC1)C)NOC1CCCCO1	SCHEMBL18588065	534.6	JWJBBJIFKXHNDK-OOAAYMRMSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159951
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(cc1)OCCC	MCULE-3646686652	534.607	NEZOBJFKYWVBPL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-159952
CN(CC1CCn2c1ccc2C(c1ccccc1)O)CC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F	SCHEMBL12457548,PC-id_68271414	534.612	VQGKAQYZMKUSIG-AWWDORHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159953
CN(CC1CCn2c1ccc2C(=O)c1ccccc1)CCC(c1ccccc1)OC1=CC=C(CC1)C(F)(F)F	PC-id_144237464	534.612	CORRBSAINQTFIL-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-159954
FC(F)(F)c1ccc(OC(CCN(CC2CCn3c2ccc3C(O)c2ccccc2)C)c2ccccc2)cc1	PC-id_77447459	534.612	VQGKAQYZMKUSIG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159955
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_16948108	534.627	LAPYMGHLABIXDH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159956
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)[O-])C(=O)C2NC(=O)C(=NOC)c1nc(sc1)N	PC-id_76025784	534.632	PMSNIDWAVWURAM-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-159957
S1[C@@H]2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)[O-])C(=O)[C@H]2NC(=O)C(=NOC)c1nc(sc1)N	PC-id_53372120	534.632	PMSNIDWAVWURAM-AITHUVLGSA-N	00001010100011000001001010000000000000000000000000000000	25-01-159958
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)F	SCHEMBL18367934	534.642	JZMKDQNJEOFKBE-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159959
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#CC1(CC1)CO)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_137440916,SCHEMBL20678221	534.645	XLGIABLVJNKNJE-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-159960
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1CO)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_137440945,SCHEMBL20678254	534.645	OMTQNPSEIRKXKS-OHHXMINKSA-N	00100010100010000000000010000000000000000000000000000000	25-01-159961
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1CO)(C(=O)NOC1CCCCO1)S(=O)(=O)C	SCHEMBL20678257,PC-id_137440948	534.645	OMTQNPSEIRKXKS-BMPNCVJRSA-N	00100010100010000000000010000000000000000000000000000000	25-01-159962
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)NS(=O)(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_4956593	534.645	BFCFKXFCHKHCAN-KCNXZKISSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159963
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)NS(=O)(=O)/C=C/c2ccccc2)sc2c1CCC2	CoCoCo_4956594	534.645	BFCFKXFCHKHCAN-DGXIYAMASA-N	00000010100000110000000010000000000000000000000000000000	25-01-159964
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)/C=Cc2ccccc2)sc2c1CCC2	CoCoCo_4956595	534.645	BFCFKXFCHKHCAN-MBWOQUJGSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159965
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C=Cc2ccccc2)sc2c1CCC2	PC-id_72026601,MCULE-9430397010,EMOLS-id_44139879,MCULE-2551005229	534.645	BFCFKXFCHKHCAN-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159966
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)sc2c1CCC2	ZINC22_97981259,PC-id_16245985,CoCoCo_4956592	534.645	BFCFKXFCHKHCAN-TWLJRWAQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159967
OCC1CCN(CC1)Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(cc1)F)CCC2	PC-id_23107521,SCHEMBL266240	534.645	DVFCIEGACINFJW-WCMJOSRZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159968
OCC1CCN(CC1)Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1cccc(c1)F)CCC2	PC-id_23108079,SCHEMBL267733	534.645	FFWYGOHJCDUYGP-WCMJOSRZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159969
s1c2c(CCC2)c(c1NC(=O)c1cc(CN2CCC(CC2)CO)ccc1)C(=O)NN=Cc1ccc(F)cc1	PC-id_66637825	534.645	DVFCIEGACINFJW-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159970
s1c2c(CCC2)c(c1NC(=O)c1cc(CN2CCC(CC2)CO)ccc1)C(=O)NN=Cc1cc(F)ccc1	PC-id_66638631	534.645	FFWYGOHJCDUYGP-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-159971
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NS(=O)(=O)C=Cc1ccccc1)C(C)C)C(=O)OCC	PC-id_3961197	534.645	BFCFKXFCHKHCAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159972
s1c2c(CCC2)c(c1NC(=O)COC(=O)C(NS(=O)(=O)/C=C/c1ccccc1)C(C)C)C(=O)OCC	PC-id_5970637	534.645	BFCFKXFCHKHCAN-BUHFOSPRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-159973
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-9052557289,PC-id_24223866	534.646	QJWXSBXALUIILB-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-159974
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)Cc2ccc(F)cc2)nn1)C)C(=O)OCC	PC-id_24103924	534.647	LBMHIZFIBRZBSJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159975
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1CCOCC1)NC(=O)OCC	PC-id_66739059,SCHEMBL597979	534.648	BRZTXRHKOIHSKL-MSOLQXFVSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159976
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N1C[C@H](C)N(C[C@@H]1C)CC1CCOCC1)NC(=O)OCC	SCHEMBL10076765,PC-id_68027869	534.648	BRZTXRHKOIHSKL-ROUUACIJSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159977
O1CCC(CN2C(CN(C(C2)C)C(=O)N2C(c3n(nc(NC(=O)OCC)c3C2)C(=O)OCC)(C)C)C)CC1	PC-id_77183011	534.648	BRZTXRHKOIHSKL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-159978
S1C(N(c2c1sc([N+]#[C-])c2)CS(=O)(=O)O)C=C1Sc2c(sc(c2)C#N)N1CS(=O)(=O)O	PC-id_59893237	534.653	JJWZMQBTZPDIJV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-159979
CC(c1nc2n(n1)nc(/c/2=C(/c1c(C)nn2c1[nH]c(n2)C(CNc1ccccc1)C)C)C)CNc1ccccc1	SCHEMBL13616157	534.658	KJHJNEREZVUPAP-QOMWVZHYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-159980
n12[nH]c(c(c1nc(n2)C(CNc1ccccc1)C)C(=c1c2n(nc1C)nc(n2)C(CNc1ccccc1)C)C)C	PC-id_57549131	534.658	JUBVDVRRCHBCIU-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-159981
n12[nH]c(c(c1nc(n2)C(CNc1ccccc1)C)/C(=c/1c2n(nc1C)nc(n2)C(CNc1ccccc1)C)/C)C	PC-id_70950963	534.658	JUBVDVRRCHBCIU-QOMWVZHYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-159982
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)OC1CCCCC1	MCULE-5972930707,EMOLS-id_328222838	534.666	KHVHNKSYWMEJAK-UHFFFAOYSA-N	00000010100110110000000010000000000000000000000000000000	25-01-159983
O=C(C1CCc2c1ncs2)Nc1ccc(cn1)C[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)[C@@H](c1ccccc1)O	SCHEMBL16185908,PC-id_117660015	534.67	WUILPUIKLLMZOI-BVOYZHITSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159984
O=C([C@@H]1CCc2c1ncs2)Nc1ccc(cn1)C[C@@]1(CC[C@@H](N1C(=O)O)[C@@H](c1ccccc1)O)C(C)(C)C	SCHEMBL16177296,PC-id_117652931	534.67	CBXJIAFXODRCNY-GSWLSNKSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159985
O=C([C@@H]1CCc2c1ncs2)Nc1ccc(cn1)C[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)[C@@H](c1ccccc1)O	PC-id_140657440	534.67	WUILPUIKLLMZOI-AVJFOWIRSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159986
N1(CC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccccc2)SC1=S	MCULE-4250875281,PC-id_73468652	534.673	ZUFXPUMBMUVWEX-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159987
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)/C(=C/c2ccccc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884055	534.673	ZUFXPUMBMUVWEX-NDENLUEZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-159988
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CC1)S(C)(C)C)[C@@H](c1ccccc1)COCc1ccccc1	SCHEMBL19537578	534.713	TVCLWWCAVRIENJ-XMMPIXPASA-N	00100010100000110001000010000000000000000000000000000000	25-01-159989
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(c2ccccc2)cc1	PC-id_24205594,NSC736211,CHEMBL382433	534.721	IZHDQJFUWYIVLR-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-159990
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(C[C@H]4CC[C@](C)(CC4)OC)Cc3s2)nc1	BindingDB-id_722804	534.734	WWBICDGAKAKRHD-UFKXBGGNSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159991
CCS(=O)(=O)c1cnc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)(C)OC	PC-id_134170990	534.734	WWBICDGAKAKRHD-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159992
COC1(C)CCC(CC1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC	PC-id_145713364,BindingDB_PC-id_145713364	534.734	WWBICDGAKAKRHD-RMIBCPJUSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159993
CO[C@]1(C)CC[C@H](CC1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC	SCHEMBL19772168	534.734	WWBICDGAKAKRHD-JLJLEAIVSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159994
CO[C@]1(C)CC[C@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC	SCHEMBL18367867	534.734	WWBICDGAKAKRHD-SQOVJYTMSA-N	00000010100010101001000010000000000000000000000000000000	25-01-159995
CC(=C/C=C(/C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)Cl)C)C)C	PC-id_145296932	534.925	AEKXFDLXHDVCSP-MKMNVTDBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159996
Clc1ccc(C(=O)Nc2sc3CCC(c3n2)C(=O)N2CCN(CC2)c2cc(ccc2)C(F)(F)F)cc1	PC-id_16947474	534.981	BWKOHUIERNGIDC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-159997
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1C(CC2)(C)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC)C)Cl	PC-id_134599002,SCHEMBL20252903	534.983	MCEXASLFKQQKJT-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-159998
COc1ccc(cc1)COc1c(c(c(cc1)C(=O)Nc1c2NCCn2nc1)Cl)OCc1ccc(cc1)OC	PC-id_136641886,SCHEMBL14699964	534.991	UCXRBXIMPJCQOK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-159999
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_24223627,MCULE-1108473722	535.032	AWHKTCHCEJANJL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-160000
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408603710	535.032	FPOJAXSGPBGTGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160001
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408617477	535.032	GPVSKWSPKYILHO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160002
COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408623006	535.032	CGHQUHNQXXPSQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160003
COC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408618508	535.032	JTSRMQNKYIEFFC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160004
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_19641152	535.079	ULUSKNIVUCCFPK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160005
Clc1cc(c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_20122311	535.079	BVUGAKOXUAEACR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160006
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1C)C	PC-id_19634455	535.079	MMHGPPBZEGLVMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160007
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)cc1)C	PC-id_17262634	535.079	NHQPKLVOICCMCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160008
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)cc1)C	PC-id_17302484	535.079	WRAPRSMAGODNKT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160009
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)cc1)C	PC-id_17305529	535.079	HRAHYEDDAMDBTJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160010
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)cc1)C	PC-id_17307168	535.079	CNLHWYQOKOXBLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160011
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC)cc1C)C	PC-id_17305601	535.079	LQAJIVRCZRUZQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160012
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)cc1C)C	PC-id_19641394	535.079	VWVFLIFHKVJUDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160013
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_20123222	535.079	HHCIGXLSSWEBPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160014
Clc1cc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc1	PC-id_17302586	535.079	PTVOPLAGPNIIGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160015
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cccc1	PC-id_19638646	535.079	JMLKYYLCZCSLBS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160016
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc(cc1)C	PC-id_19635211	535.079	PVSZCRMEUWWMPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160017
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)cc(cc1)C	PC-id_19635090	535.079	ZLYNHRPHSSYTBE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160018
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)cc(cc1)C	PC-id_21164025	535.079	QJEVPHIYNDNRKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160019
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2C)C(=O)C(=O)NC4(CC(C4)(F)F)C5=NN=CS5)F	PC-id_160495135	535.13	DRMUYYURQXLNHI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-160020
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CN=C(C=C3)N4CCC(CC4)OC5=CC=CC=C5OC(F)(F)F	PC-id_154456922	535.168	IGDBQOBMXWMKTA-HSZRJFAPSA-N	00000010100010111001100010000000000000000000000000000000	25-01-160021
CC1[C@](OC2=NC(=CN12)[N+](=O)[O-])(C)OC3=CN=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F	PC-id_154456921	535.168	YCXVTUGLTVTSEN-RYDFDWSBSA-N	00000010100010111001100010000000000000000000000000000000	25-01-160022
CC1(CCC(CC1)CCC(=O)O)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_147177186	535.169	BYWIDLQCJPXXPF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-160023
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)CC(=O)O)C)F	PC-id_164992003	535.169	MZXHBCCIOCVHDU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-160024
Cc1c(n2CCCc2c1C(=O)C(=O)NC(CCF)(CCF)c1n[nH]nc1)C(=O)Nc1cc(ncc1)C(F)F	PC-id_163591525	535.196	GPXIWSFXAUMTNC-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-160025
n12nc(nc1sc(=Cc1cc(Br)cc(Br)c1OC(=O)C)c2=O)Cc1ccccc1	MCULE-9796824099	535.209	HUEBQXFXECPXQI-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160026
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)CC4(CC4)C#N)CC5=CC(=CC=C5)C(F)(F)F	PC-id_161585197	535.22	UAEAWFSBGGBACL-SFHVURJKSA-N	00100010100000110001000010000000000000000000000000000000	25-01-160027
C/C=C/C(=O)NC1CCC(CC1)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942099	535.327	IRMNXUQNTJCHQH-LVSLKWKZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160028
Brc1sc(Br)c2C(=O)N(CCCCCCCCCCCCCCCC)C(=O)c12	PC-id_59523044,SCHEMBL13096354	535.376	OFZXXSLVJPULGL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160029
CCCCCCCCC(CCCCCC)CN1C(=O)c2c(Br)sc(Br)c2C1=O	EMOLS-id_324179883,PC-id_68194092,MCULE-8607014488,SCHEMBL12004179	535.376	VYMBALVLRQSMNT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160030
Clc1c(S(=O)(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)c(Cl)ccc1	PC-id_24752735,SCHEMBL4280842	535.446	PMXNNMUECDVOQM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160031
CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCC2	PC-id_17315142,ZINC22_105307602	535.463	XYRYVAWWKIOCAW-DHZHZOJOSA-N	00000010101000110000100010000000000000000000000000000000	25-01-160032
CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c3cc(Cl)cc(Cl)c3)o2)sc2c1CCC2	PC-id_17315769,ZINC22_105310233	535.463	AMVMCAJIZSETAV-VQHVLOKHSA-N	00000010101000110000100010000000000000000000000000000000	25-01-160033
Clc1c(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1Cl	PC-id_3250587	535.463	LOMPHRVORBNOPS-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-160034
Clc1c(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_73381130	535.463	XYRYVAWWKIOCAW-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-160035
Clc1cc(c2oc(cc2)C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)cc(Cl)c1	PC-id_73381291	535.463	AMVMCAJIZSETAV-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-160036
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1cccc(n1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	PC-id_91269463	535.472	COTJVLXNZGTXPQ-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-160037
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ncc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274638,SCHEMBL2090748	535.472	CMWVXQJEOARCLI-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-160038
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ncc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2090745,PC-id_5278928	535.472	CMWVXQJEOARCLI-HSZRJFAPSA-N	00000010100010111001100010000000000000000000000000000000	25-01-160039
Brc1ccc(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_19729378	535.477	GRTNKSKUHXVIMQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160040
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8656942597,PC-id_18848916	535.483	WGLQKKHKALHTKY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-160041
N#Cc1ccc(cc1C)[C@@H](NC(=O)Cc1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	PC-id_140322383	535.484	YLMHQKLXCIVSHD-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160042
FC(Oc1ccc(cc1)O[C@@H]1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc([nH+]2)[N+](=O)[O-])(F)F	GD-id_ZINC43100810	535.492	XDAOLTSRNUSPPH-XMMPIXPASA-O	00000010100010110001100010000000000000000000000000000000	25-01-160043
[O-][N+](=O)c1cn2c([nH+]1)O[C@@](C2)(C)COc1ccc(cc1)N1CC[C@H](CC1)Oc1cccc(c1)OC(F)(F)F	GD-id_ZINC43544007	535.492	URBKOGAJOULABR-XMMPIXPASA-O	00000010100010110001100010000000000000000000000000000000	25-01-160044
[O-][N+](=O)c1cn2c([nH+]1)O[C@@](C2)(C)COc1ccc(cc1)N1CC[C@H](CC1)Oc1ccccc1OC(F)(F)F	GD-id_ZINC44031654	535.492	HZTGKTMOKDPIKN-XMMPIXPASA-O	00000010100010110001100010000000000000000000000000000000	25-01-160045
O=C(Nc1n[nH]c2c1C(C(=O)c1ccccn1)N(C2)C(=O)c1ccccn1)Cc1ccc(cc1)C1CCNC1=O	PC-id_141251747	535.553	QZYZBGBPWWUFIB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-160046
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(F)(F)F	PC-id_89235888,SCHEMBL14053805	535.559	FYDONSIYFVCHRE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160047
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OC	PC-id_19658988	535.568	WEOAZXGCYFVPPW-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160048
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OC	PC-id_73633485	535.568	WEOAZXGCYFVPPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160049
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1)C(=O)OCC	PC-id_4414636	535.568	PWRZSGWHJFNSBC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160050
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1)C(=O)OCC	PC-id_9669564	535.568	PWRZSGWHJFNSBC-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-160051
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2c(OC)cccc2)cc1)C)C(=O)OC	PC-id_19660899	535.568	JNSXIGQWVWRGDE-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160052
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2c(OC)cccc2)cc1)C)C(=O)OC	PC-id_73635348	535.568	JNSXIGQWVWRGDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160053
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2c(OC)cccc2)cc1)C(=O)OCC	PC-id_19659251	535.568	WGDVODLXHKEYNT-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-160054
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2c(OC)cccc2)cc1)C(=O)OCC	PC-id_73633743	535.568	WGDVODLXHKEYNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160055
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2cc(ccc2)C)cc1)C(=O)OC	PC-id_19661795	535.568	JYQHQZBTXUGTRK-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160056
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2c(cccc2)C)cc1)C(=O)OC	PC-id_3271926	535.568	QKLKJGXBTOFDOE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160057
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2cc(ccc2)C)cc1)C(=O)OC	PC-id_73636221	535.568	JYQHQZBTXUGTRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160058
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2c(cccc2)C)cc1)C(=O)OC	PC-id_9662251	535.568	QKLKJGXBTOFDOE-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160059
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2cc(OC)ccc2)ccc1)C(=O)OCC	PC-id_3465179	535.568	MXCJKKFACBHIQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160060
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2cc(OC)ccc2)ccc1)C(=O)OCC	PC-id_9621897	535.568	MXCJKKFACBHIQU-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-160061
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2ccc(OC)cc2)cccc1)C)C(=O)OC	PC-id_19658671	535.568	DAIJFFCKFDYOKX-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160062
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2ccc(OC)cc2)cccc1)C)C(=O)OC	PC-id_73633172	535.568	DAIJFFCKFDYOKX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160063
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)cccc1)C(=O)OCC	PC-id_3258431	535.568	PUPHJFXCJMTCAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160064
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc(OC)cc2)cccc1)C(=O)OCC	PC-id_9661687	535.568	PUPHJFXCJMTCAX-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-160065
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2cc(OC)ccc2)cccc1)C)C(=O)OC	PC-id_19659796	535.568	KRLXMHSSJCNRJR-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160066
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2cc(OC)ccc2)cccc1)C)C(=O)OC	PC-id_73634274	535.568	KRLXMHSSJCNRJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160067
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2cc(OC)ccc2)cccc1)C(=O)OCC	PC-id_3529835	535.568	URLQOUZIKKICHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160068
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2cc(OC)ccc2)cccc1)C(=O)OCC	PC-id_9624554	535.568	URLQOUZIKKICHV-RWPZCVJISA-N	00000010100000110000000010000000000000000000000000000000	25-01-160069
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2c(OC)cccc2)cccc1)C)C(=O)OC	PC-id_19658412	535.568	GMCLOGBXXCKZPC-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160070
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2c(OC)cccc2)cccc1)C)C(=O)OC	PC-id_73632921	535.568	GMCLOGBXXCKZPC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160071
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2ccc(cc2)C)cc1)C(=O)OC	PC-id_19661611	535.611	IKIWXBRKQOPUJL-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160072
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CCO[Si](C(C)(C)C)(C)C	PC-id_78141264	539.331	KMAMVRURFPGIAH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160279
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2ccc(cc2)C)cc1)C(=O)OC	PC-id_73636042	535.611	IKIWXBRKQOPUJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160073
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccccc2)cc1)C)C(=O)OCC	PC-id_4296058	535.611	MSKAZDHVUIUKTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160074
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccccc2)cc1)C)C(=O)OCC	PC-id_9656596	535.611	MSKAZDHVUIUKTB-OCSSWDANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160075
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2c(cccc2)C)cc1)C)C(=O)OC	PC-id_3396634	535.611	ZVVNCIJPESKDFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160076
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccc(cc2)C)cc1)C)C(=O)OC	PC-id_4194348	535.611	WGXJFDZZMJTPGC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160077
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccc(cc2)C)cc1)C)C(=O)OC	PC-id_9652500	535.611	WGXJFDZZMJTPGC-OCSSWDANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160078
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2c(cccc2)C)cc1)C)C(=O)OC	PC-id_9667222	535.611	ZVVNCIJPESKDFR-OCSSWDANSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160079
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3ccc(OC)cc3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053594	535.615	GUTTXDSIPMDZCB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160080
S1Cc2c(NC(=O)C3CN(C(=O)C3)c3cc(OC)ccc3)n(nc2C1)CC(=O)NCc1ccc(OC)cc1	PC-id_44053593	535.615	FKHHSOJJRRQELC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160081
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)[O-])C(=O)C2NC(=O)C(=NOC)c1nc(sn1)N	PC-id_76025798	535.62	MRDFMBSPRYTTQH-UHFFFAOYSA-N	00001010100011000001001010000000000000000000000000000000	25-01-160082
S1[C@@H]2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)[O-])C(=O)[C@H]2NC(=O)C(=NOC)c1nc(sn1)N	PC-id_53372246	535.62	MRDFMBSPRYTTQH-GCHMCOIESA-N	00001010100011000001001010000000000000000000000000000000	25-01-160083
CC(C)C1c2c(CN1Cc1ccc(cc1)OC(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134171068,SCHEMBL19772248	535.626	HJOXJTPXRTZNQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160084
CC(C)[C@@H]1N(Cc2ccc(OC(F)F)cc2)Cc2sc(nc12)C(=O)NCc1ccc(cc1)S(=O)(=O)C	PC-id_145713376,BindingDB_PC-id_145713376,BindingDB-id_722827	535.626	OACMXLRENCCWMY-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160085
CC(C)[C@@H]1N(Cc2ccc(OC(F)F)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB_PC-id_145713346,PC-id_145713346,BindingDB-id_722781	535.626	HJOXJTPXRTZNQC-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160086
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)OC(F)F)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18377875	535.626	HJOXJTPXRTZNQC-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160087
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_5472362,PC-id_4137763,CoCoCo_5016035,MCULE-6072734359,ZINC22_11852966	535.633	RSOUASQFOYAMNJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160088
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1COC(=O)CN(C)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678239,PC-id_137440932	535.633	MMODVDISKGIWFS-LPOVVEPHSA-N	00100010100000000000000010000000000000000000000000000000	25-01-160089
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1COC(=O)CN(C)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678272,PC-id_137440961	535.633	MMODVDISKGIWFS-NVTAWBTOSA-N	00100010100000000000000010000000000000000000000000000000	25-01-160090
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)OC)CCC4)CC2)cc1	PC-id_4852250,MCULE-8363230525,CoCoCo_3575579,ZINC22_97981528,EMOLS-id_48933626	535.633	MMQAGBBZJXOLNI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160091
S(=O)(=O)(N1CCCCCC1)c1c(OC)ccc(c1)C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)N	PC-id_16509179	535.633	LBIVBZGMZAGAAT-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-160092
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCC2OCCC2)cc1	PC-id_44053088	535.636	NZWRIRDRPNMBGB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160093
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)C2NC(=O)C(=NOC)c1nc(sc1)N	PC-id_76025785	535.64	PMSNIDWAVWURAM-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-160094
S1[C@@H]2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)[C@H]2NC(=O)C(=NOC)c1nc(sc1)N	PC-id_53372121	535.64	PMSNIDWAVWURAM-AITHUVLGSA-O	00001010100011000001001010000000000000000000000000000000	25-01-160095
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(cs1)c1ccccc1	PC-id_89238879,SCHEMBL14057717	535.658	IFXGAUIXNDLJNM-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-160096
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CS(=O)(=O)c1ccccc1)c1ccccc1)C#N	PC-id_23406924	535.661	QWEQHAYFUUWVHF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160097
CCN(CCNCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1cccc(c1)F)CCC2)CC	PC-id_23107944,SCHEMBL267555	535.676	HUQUCJQZEZPCNK-BIZUNTBRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160098
CCN(CCNCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(cc1)F)CCC2)CC	PC-id_23108162,SCHEMBL267615	535.676	LEDBRJNMFNLMPI-BIZUNTBRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160099
s1c2c(CCC2)c(c1NC(=O)c1cc(CNCCN(CC)CC)ccc1)C(=O)NN=Cc1ccc(F)cc1	PC-id_66638572	535.676	LEDBRJNMFNLMPI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160100
s1c2c(CCC2)c(c1NC(=O)c1cc(CNCCN(CC)CC)ccc1)C(=O)NN=Cc1cc(F)ccc1	PC-id_66638544	535.676	HUQUCJQZEZPCNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160101
OCC(C(c1ccccc1F)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(C1(CCC1)S(C)(C)C)O)(C)C	SCHEMBL19542188	535.717	UADJAMLCRGMEPQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160102
CCCCC(c1nnc2n1N=C(/C/2=N/c1c2[nH]nc(n2nc1C(C)(C)C)C(CCCC)CC)C(C)(C)C)CC	SCHEMBL17590187	535.77	FFPSSEALNKZRGN-VAMRJTSQSA-N	00000011100000000001000110000000000000000000000000000000	25-01-160103
CCCCC(c1nnc2n1N=C(C2=Nc1c2nnc(n2[nH]c1C(C)(C)C)C(CCCC)CC)C(C)(C)C)CC	PC-id_118944882	535.77	DDSHBVIIAJWVBO-UHFFFAOYSA-N	00000011100000000001000110000000000000000000000000000000	25-01-160104
Brc1cc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)c(Cl)cc1	PC-id_44053552	535.841	OWVRHONVDQGQIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160105
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)C1=CC=C(CC1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-]	SCHEMBL16625071,PC-id_117999737	536	JJHWOJSCNNIQFW-HSZRJFAPSA-N	00000010100011110001100010000000000000000000000000000000	25-01-160106
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(ON(C4)C)n3)CC(CC2)C(=O)N(C)C)nc1	PC-id_77264376	536.004	XPBCCVXMHZMGPL-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-160107
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4ON(Cc4n3)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_77264448	536.004	GKSGJTLMUSHSJP-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-160108
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(ON(C4)C)n3)C[C@H](CC2)C(=O)N(C)C)nc1	PC-id_67309463,SCHEMBL2185827	536.004	XPBCCVXMHZMGPL-FPMFFAJLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-160109
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4ON(Cc4n3)C)C[C@H](CC2)C(=O)N(C)C)nc1	PC-id_67309962,SCHEMBL2187133	536.004	GKSGJTLMUSHSJP-FPMFFAJLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-160110
CNc1ccc(cc1N=CC(NC(=O)CC/C(=C/C(=C(/n1c(C)nc2c1CCC2)C)/C(F)(F)F)/C)C)Cl	PC-id_142911766	536.032	KCTWFFSBKWYIHD-JQKAOJDPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160111
Clc1sc(c2onc(Cn3c4c(nc3C(=O)NC3CCN(CC3)C(C)C)CSC4C(=O)O)c2)cc1	SCHEMBL1378283,PC-id_67011498	536.067	NNWPUNVGQZVIFE-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-160112
Clc1sc(c2onc(Cn3c(nc4c3CSC4C(=O)O)C(=O)NC3CCN(CC3)C(C)C)c2)cc1	SCHEMBL1378599,PC-id_67011624	536.067	ITKUSTVHSQXOPR-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-160113
CCC(c1nn2CCN(c2c1C(=O)N[C@@H](C)c1ccc(cc1)C(=O)O)Cc1cc(ccc1)C(F)(F)F)(F)F	PC-id_164134949	536.185	RWLNCBSVANUQPK-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160114
CC(C)(C)OC(=O)CCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)F)Cl	PC-id_165018083	536.189	JBCDHOMHIYZJDP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160115
CC(C)(C)OC(=O)N1CC(C1)CN2C3=C(CN(C3)C(=O)CC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-])C=N2	PC-id_160920299	536.218	IZVXBBFIEHFWMT-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-160116
CC(C)(C)OC(=O)N1CC(C1)CN2C=C3CN(CC3=N2)C(=O)CC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-]	PC-id_160920300	536.218	SHAQTRMLIJGWQV-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-160117
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)C(F)(F)F)F	PC-id_149710455	536.241	AUZYXBUDBQBUAU-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160118
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C=C(C=C5)C(F)(F)F)F	PC-id_151354625	536.241	ONFFVDCGZMJXLG-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160119
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)C(F)(F)F)F	PC-id_152638472	536.241	ZFAVSGKDFCWXKF-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160120
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)F)C(F)(F)F	PC-id_149825091	536.241	BRZBIYODKVQMOF-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160121
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=C(C(=CC=C5)F)C(F)(F)F	PC-id_150617560	536.241	IVFAVFYTLJIIJU-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160122
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=CC(=C5)F)C(F)(F)F	PC-id_152697668	536.241	ZQXKATZOLDGOIV-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160123
C/C=C/C(=O)NN1CCC[C@H](C1)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942116	536.322	OVCNJVWZJQJMEI-VEYUGKFFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160124
C/C=C/C(=O)NN1CCC[C@@H](C1)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942135	536.322	OVCNJVWZJQJMEI-AABAJMOZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160125
OC[C@@H]1[C@@H](C)n2c([C@@]1(O)C(Cl)(Cl)Cl)cc(c2I)I	PC-id_102046437	536.36	PSWDKYYSXDVVDA-UDJQAZALSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160126
Ic1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cccc1	PC-id_44053691	536.361	IGLAMJMKQVBLAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160127
n12ncnc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O	MCULE-3849480833	536.379	JWIWVBQFRNHLOD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160128
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=c/2sc3ncnn3c2=O)cc1	ZINC22_101977760	536.379	JWIWVBQFRNHLOD-PXNMLYILSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160129
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-2164078000	536.397	NMGFOQWUTYUOPY-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160130
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-8810016189	536.397	NIMJOWJRIPNEQI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160131
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(c1)C(F)F	BindingDB-id_799395,SCHEMBL19900914,PC-id_134285203	536.454	XCXSRXNLPLNHSZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-160132
Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1c[nH]nn1	SCHEMBL21296721,BindingDB-id_980740,PC-id_139434884	536.454	HBTSUBHTBRRXRL-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-160133
Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cn(C)nn1	SCHEMBL21378255,PC-id_139507394,BindingDB-id_980707	536.454	DBTFLNNFODGLBB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-160134
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)OOc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	PC-id_121426638,SCHEMBL17857668	536.457	XGUIUFWZPIKAQC-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160135
Brc1c(c2n(N)c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cccc1	PC-id_17047491	536.465	WVSLUSSXPFFANI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160136
Brc1cc(c2n(N)c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc1	PC-id_17047511	536.465	SIDYMYADHPTBLH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160137
Brc1ccc(c2n(N)c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_17047531	536.465	IQGUIFIOMHDEIE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160138
OC(=C)c1ccc(cc1)C1(CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18758780	536.469	KUHWJOSJCHUAGN-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160139
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)N1CCC(CC1)OC1CC=C(C=C1)OC(F)(F)F	PC-id_122501636,SCHEMBL18031626	536.5	QKTQTHTXGDNYAB-JKSFWZLDSA-N	00000010100011110001100010000000000000000000000000000000	25-01-160140
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C(=O)OC	PC-id_5206520	536.513	TWFAGMLCKBLRHN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160141
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C(=O)OC	PC-id_9612122	536.513	TWFAGMLCKBLRHN-LGJNPRDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160142
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2c([N+](=O)[O-])cccc2)ccc1)C(=O)OC	PC-id_19658532	536.513	CSQRVWSACKKTRY-LGJNPRDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160143
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2c([N+](=O)[O-])cccc2)ccc1)C(=O)OC	PC-id_73633036	536.513	CSQRVWSACKKTRY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160144
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc([N+](=O)[O-])cc2)cccc1)C(=O)OC	PC-id_19661418	536.513	CVNBFWWZICUKLW-LGJNPRDNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160145
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)cccc1)C(=O)OC	PC-id_73635851	536.513	CVNBFWWZICUKLW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160146
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@H]1Cn1nc2c(n1)CN(C2)C(=O)O)NC(=O)OCc1ccccc1	PC-id_118380330,SCHEMBL17094625	536.537	DHRKZIZNBXJBEI-GGAORHGYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160147
P(=O)(c1c2c(n(NP(=O)(c3ccccc3)c3ccccc3)c1C)CCC2)(c1ccccc1)c1ccccc1	PC-id_10875174	536.54	QDEZRQRFUIVACT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160148
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-1538491003	536.579	BULUFQPBKFQYEX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160149
Brc1cccc(n1)CCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(C)C	PC-id_58201341,SCHEMBL12747753	536.58	IAUXMRCQAUTCQE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-160150
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)Nc1cccc(c1)Nc1ccc(cc1)[N+](=O)[O-]	PC-id_121438488,SCHEMBL17872084	536.58	LHZJKYMOMVGENU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160151
s1c2c(CCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(Sc2n(nnn2)c2ccccc2)cc1)C(=O)OCC	PC-id_23990134	536.583	SEZHWRKTZUHTMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160152
CC(C)C1c2c(CN1Cc1cc(=O)n(cc1)C(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170968,SCHEMBL19772141	536.614	XAXCKEYSISMSSS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160153
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@@H](N(C2)Cc1ccn(c(=O)c1)C(F)F)C(C)C	SCHEMBL18367943	536.614	XAXCKEYSISMSSS-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160154
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC)C(=O)OCC	PC-id_19635549	536.614	ZIPBXCLOALEQLJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160155
COC(=O)c1c(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2	ZINC22_8693966,EMOLS-id_42710960,PC-id_3445623,CHEMBL1519591,CoCoCo_2963905,ChEMBL-DNDi_CHEMBL1519591,MCULE-7532529586	536.618	RVGXFQLKWFQFMO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160156
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1	MCULE-7440276286,EMOLS-id_328215410	536.618	MSYVARKXDJYMKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160157
OC1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1ccc(cc1)NC(=O)c1n[nH]c2c1CCC2	SCHEMBL1663002,PC-id_67112336	536.624	XJBWJIUVKLODOU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160158
O=C(c1cccc(c1)Oc1ccccc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCNCC1c1ccccc1	SCHEMBL597541,PC-id_59508278,BindingDB_PC-id_59508278	536.624	LDMPPKUZRMIUHB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160159
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)C2NC(=O)C(=NOC)c1nc(sn1)N	PC-id_76025799	536.628	MRDFMBSPRYTTQH-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-160160
S1[C@@H]2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)[C@H]2NC(=O)C(=NOC)c1nc(sn1)N	PC-id_53372247	536.628	MRDFMBSPRYTTQH-GCHMCOIESA-O	00001010100011000001001010000000000000000000000000000000	25-01-160161
Cc1nn2c(nc(n2)C(C)CNc2ccccc2)c1=Cc1c(n(nc1C)N)NC(=C)C(C)CNc1ccccc1	PC-id_89132834	536.674	ZADJRTPJAGWRTO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160162
C=C(C(CNc1ccccc1)C)Nc1n(N)nc(c1/C=c
/c(C)nn2c1nc(n2)C(CNc1ccccc1)C)C	SCHEMBL13629832	536.674	ZADJRTPJAGWRTO-YUMHPJSZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160163
s1c2c(CCC2)c(c1NC(=O)CCSCCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_5201287	536.684	UMGCEVHKYIIRPY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160164
s1c2CCC(C(=O)N3CCN(CC3)C(c3ccccc3)c3ccccc3)c2nc1NC(=O)c1ccc(cc1)C	PC-id_16947505	536.687	PNSJVKVQXRKHTN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160165
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCC2CCCCC2)nn1)C)C(=O)OCC	PC-id_23827468	536.73	TYSKPUBWKRFCLB-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-160166
CC1Cn2c(c(c(c2C(=O)Nc2cc(c(cc2)F)Cl)C)C(=O)C(=O)NC2(CC(C2)(F)F)C(=O)NC)C1=C	PC-id_134303041	536.931	XCTLZLZDXAFCMM-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-160167
CNC(=O)C1(NC(=O)C(=O)c2c(C)c(n3c2C(=C)[C@H](C3)C)C(=O)Nc2ccc(c(c2)Cl)F)CC(C1)(F)F	SCHEMBL19920761	536.931	XCTLZLZDXAFCMM-NSHDSACASA-N	00001010100000110000000010000000000000000000000000000000	25-01-160168
CC(C(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2)c1ccc(C(=O)c2ccccc2)cc1	PC-id_45112548,CHEMBL575350	537.008	HWEJEMQLZFYNBV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160169
N#Cc1c2CCCn2c(c1NC(=O)[C@H](c1ccc(cc1)C(=O)c1ccccc1)C)C(=O)Nc1ccc(cc1)Cl	GD-id_ZINC49709676	537.008	HWEJEMQLZFYNBV-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-160170
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nc(nc(n1)N1CCCC1C(=O)N)Cl)C	PC-id_87235120	537.017	WIOQQOCSMKRLGA-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160171
CC1(C)N(Cc2c(Nc3nc(Cl)nc(n3)N3CCC[C@H]3C(=O)N)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1	BindingDB_PC-id_59474228,SCHEMBL12143711,PC-id_59474228,BindingDB-id_218903	537.017	WIOQQOCSMKRLGA-AQYZNVCMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160172
Clc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2CC2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N	SCHEMBL1369620	537.017	WIOQQOCSMKRLGA-PREGVCBESA-N	00100010100000110001100010000000000000000000000000000000	25-01-160173
Clc1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N	SCHEMBL1369622	537.017	WIOQQOCSMKRLGA-UAGQMJEPSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160174
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)ccc1F	PC-id_21164800	537.027	KWCBXOHPSFYZGX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160175
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)ccc(F)c1	PC-id_19634050	537.027	DCSLTCWHQNSZBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160176
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_24223640,MCULE-7806536318	537.048	DYCHCSMJPILEGL-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-160177
CC[C@H]1c2c(CN1[C@@H](C)c1ncc(cc1F)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	PC-id_134167005,SCHEMBL19767345	537.07	QSLUZBDCXTUAOK-LIRRHRJNSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160178
C[C@H](c1cnc(cc1F)Cl)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772200,PC-id_134171020	537.07	CSNLOKYJLPCDQE-PDNQZYNLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160179
C[C@H](c1cnc(cc1F)Cl)N1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134167004,SCHEMBL19767344	537.07	CSNLOKYJLPCDQE-FATZIPQQSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160180
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ncc(Cl)cc4F)Cc3s2)cc1	PC-id_145713303,BindingDB_PC-id_145713303,BindingDB-id_722729	537.07	JDKMLOFXXBJCQA-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160181
Clc1ccc(C(=O)Nc2sc(SC(C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)nn2)cc1	PC-id_23789890	537.075	PCSZBVLTVPWQTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160182
Clc1cc(C(=O)Nc2sc(SC(C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)nn2)ccc1	PC-id_24022863	537.075	ILAUIASTEVWKIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160183
Clc1c(C(=O)Nc2sc(SC(C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)nn2)cccc1	PC-id_23857593	537.075	DRIFUUVRMJEFMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160184
CC1CCC(N1S(=O)(=O)C2=C3C=CCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278796	537.125	BOZMUHXRZWMVRZ-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-160185
CC1Cc2c(c(c(n2C1)C(=O)Nc1cc(ncc1)C(F)F)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=CNN)N	PC-id_163649479	537.211	ILABSCPTJYHKQA-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-160186
CC(C)(C)OC(=O)N1CC(C1)CN2C3=C(CN(C3)C(=O)NC4=C(C=CC(=N4)C5=CC=C(C=C5)F)[N+](=O)[O-])C=N2	PC-id_160681030	537.214	BPQPGXVCVZTZII-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-160187
CCCCCCCCC(CCCCCC)CN1C(c2c(sc(c2C1=O)Br)Br)O	SCHEMBL20115372,PC-id_134476909	537.392	BHHKPJMYRPVHHG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160188
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)Cc1ccccc1	MCULE-2910547945	537.417	ABKONWZRQSHCJG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160189
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccnc(C(F)F)c1F	SCHEMBL19900915,PC-id_134285204,BindingDB-id_799365	537.442	ZTETUIHLYHMGBX-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-160190
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1	PC-id_17304797	537.45	HYRTTXZIKMLSPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160191
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_19724876	537.45	LZXSFWRTTNMYGO-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-160192
FC(CC1=C(C(c2n1nc(c2C(=O)c1ccccc1)C(F)(F)C(F)(F)F)(C)C)C)c1ccc([N+](=O)[O-])cc1	PC-id_16079253	537.454	SPJJESHSDDHLDL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160193
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)ccc(Cl)c1	PC-id_19729021	537.482	ZNILQFKRGZMGFG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160194
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)ccc1Cl	PC-id_19729301	537.482	MQBZWKPCXFSZIY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160195
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1N)F)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372652,PC-id_67009605	537.511	MEHSKVDELUYJEF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160196
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)S(=O)(=O)c1cc(F)cc(c1)F)NC(=O)c1c(N)cccc1F	SCHEMBL1372432,PC-id_67009503	537.511	IDENTDIPJMNEMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160197
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(Br)cc1	NSC736064,CHEMBL207001,PC-id_24205509	537.521	OPHLBAWCOGSTNY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160198
Fc1ccc(cc1)c1ccc(c(n1)NC(=O)N1Cc2c(C1)cn(n2)CC1CN(C1)C(=O)OC(C)(C)C)[N+](=O)[O-]	SCHEMBL18379705	537.543	XLHHGJPWZDBBGO-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-160199
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-8050596205	537.553	AAPTXOUHQHAZKA-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160200
S(=O)(=O)(c1c(c2ccc(Cn3nc(c4NN(Cc34)Cc3cc(ccc3)C#N)C(F)(F)F)cc2)cccc1)C	PC-id_23398305	537.556	QQNDKCPVMFHRDB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160201
C1Cn2c(ccc2C(=O)c2ccccc2)C1C(=O)Oc1ccc(cc1)C(=O)OC1COC(OC1)c1ccccc1	SCHEMBL15542455,PC-id_90020574	537.559	JBDZSRDZULYDOG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160202
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_3404287	537.563	VZEVCTROWCJUBS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160203
CC(C)[C@H]1c2c(CN1Cc1nn(c(=O)cc1)C(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134166992,SCHEMBL19767332	537.603	SLIFHJYSXVIKFU-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160204
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)OCCS(=O)(=O)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484960,PC-id_135315474	537.606	RYEHKDGDWGTDJM-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160205
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)OCCS(=O)(=O)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484961,PC-id_135315475	537.606	RYEHKDGDWGTDJM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160206
n12c(=CC(=O)C(c3ccccc3)c3ccccc3)c(CC(=O)C(c3ccccc3)c3ccccc3)nc1nnc2N	PC-id_4129733,MCULE-2146760344	537.61	CNJSIGCLQOATNA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160207
Nc1nnc2nc(CC(=O)C(c3ccccc3)c3ccccc3)/c(=C/C(=O)C(c3ccccc3)c3ccccc3)/n12	ZINC22_102308720	537.61	CNJSIGCLQOATNA-SLMZUGIISA-N	00000000100000110001000010000000000000000000000000000000	25-01-160208
O=C(C(c1ccccc1)c1ccccc1)Cc1nc2n(/c/1=C/C(=O)C(c1ccccc1)c1ccccc1)c(nn2)N	PC-id_98917377,SPECS-id_AT-225/NB55301	537.61	CNJSIGCLQOATNA-XAYXJRQQSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160209
CC(C)C1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772108,PC-id_134170935	537.617	VHIBUPFITFKBRL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160210
O=C(c1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368040	537.617	VHIBUPFITFKBRL-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160211
CN1CCN(CC1)c1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1	PC-id_68987053,SCHEMBL4285752	537.634	YDCXLUMKQQDBMP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160212
CCN(CC)CC(=O)Nc1c2c(cs1)C(=O)N(C2=O)C(CS(=O)(=O)C)c1cc(c(cc1)OC)OCC	SCHEMBL15300584,PC-id_89836943	537.649	PGZWJFMLYVAVHG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160213
Cc1nc(ccc1)N1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	SCHEMBL14056043,PC-id_89237433	537.654	JWLXSUSGGSERQU-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-160214
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)c1nnn[nH]1)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18367949	537.657	FFQJUVVGQDMHJY-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160215
CC(C)(C)c1ccc(cc1)CCNC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2c(C1)sc(c2)NC(=O)C=C	SCHEMBL14056251,PC-id_89237616	537.693	WVFOOCLXYHVBFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160216
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2cc(C)c(cn2)C#N)cc1	BindingDB_PC-id_145713336,BindingDB-id_722768,PC-id_145713336	537.697	LRPDKMUJNYYRRM-QYBDOPJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160217
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(C#N)c(C)n2)cc1	BindingDB-id_722769,PC-id_145713337,BindingDB_PC-id_145713337	537.697	LGUBQNROXZHRMX-QYBDOPJKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160218
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1ccccc1C1CC1	PC-id_140882933	537.726	PBFXZGNNYCHMES-UHFFFAOYSA-N	00101010100000110001100010000000000000000000000000000000	25-01-160219
Clc1c(c2noc(c2C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)C)cccc1	PC-id_44053497	538.018	QZGPSXIDCWLKPA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160220
CC[C@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)C(=O)OCC1CCCC1	SCHEMBL19772172,PC-id_134170993	538.101	VUAZZKKDPPMUIF-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160221
NC(=O)c1c(NC(=O)c2cc(I)ccc2I)sc2c1CCC2	PC-id_4503670,ZINC22_109570752	538.142	ZYLQDDOZSZEWPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160222
CC1(CCC(CC1)CC(=O)O)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C(=C4)F)F)F)Cl	PC-id_164980917	538.148	PCRJGPCNZDBGTL-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-160223
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C(=C5Cl)F)F)F	PC-id_150475351	538.196	HSRBNOSTWKMSMN-GASCZTMLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160224
CC1Cc2c(c(c(n2C1)C(=O)Nc1cc(ncc1)C(F)F)C)C(=O)C(=O)NC1(CC(C1)(F)F)C(=CNN)[NH3+]	PC-id_163649478	538.218	ILABSCPTJYHKQA-UHFFFAOYSA-O	00001010100000101000000010000000000000000000000000000000	25-01-160225
CCOC(=O)c1c(Br)nn2c1N(Cc1cccc(c1)C(F)(F)F)CC2COCc1ccccc1	SCHEMBL18758637	538.357	FUCLLXJKHNFLTR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160226
CCOC(=O)c1c(Br)nn2c1N(Cc1cccc(c1)C(F)(F)F)C[C@H]2COCc1ccccc1	SCHEMBL21081546,PC-id_138705384	538.357	FUCLLXJKHNFLTR-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-160227
COc1ccc(c(c1F)CNc1n[nH]c2c1CN(C2)Cc1ccc(cc1)Cn1ccccc1=O)Br	PC-id_118482359,SCHEMBL17221527	538.411	MCAVIKBAKIXBFK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160228
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CC(=C)n2nc1C(F)(F)F)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20538928,PC-id_135360575	538.442	UQWFOYRSAJELKS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160229
O=C(c1c2N(Cc3cccc(c3)C(F)(F)F)CC(=C)n2nc1C(F)(F)F)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18758483	538.442	UQWFOYRSAJELKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160230
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18740148	538.442	VYDBNNNPMATIOR-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160231
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-6813359839	538.445	QXSUDRQXJSPVBG-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160232
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-6412961509	538.445	SJJYHRMIKMJCQX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160233
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-2028868130	538.445	ZSHSGBHNLBCPGR-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160234
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1Br)C(C)C)C(=O)OC	MCULE-4660607031,PC-id_19206265	538.451	CESFDVLYLOYPLO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160235
OCC(c1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F)(F)F	SCHEMBL18758495	538.467	NYHFQQMVQFJALI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160236
OCC(c1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F)(F)F	SCHEMBL18758499	538.467	NYHFQQMVQFJALI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160237
OCC(c1nn2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F)(F)F	SCHEMBL18758625	538.467	YQJBKIVMOKMWAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160238
OCC(c1nn2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)N(CC2)Cc1cccc(c1)C(F)(F)F)(F)F	SCHEMBL18758627	538.467	YQJBKIVMOKMWAJ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160239
c12c(C)n(c(C)c1C(N(Cc1ccc(cc1)Cl)C2=O)C(=O)NC1CCCCCC1)Cc1ccc(cc1)Cl	MCULE-1959580616,EMOLS-id_16073049,PC-id_20886252	538.508	BEXZWYRGJTUPOH-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-160240
Clc1ccc(cc1)CN1C(=O)c2c([C@H]1C(=O)NC1CCCCCC1)c(n(c2C)Cc1ccc(cc1)Cl)C	CoCoCo_2181153	538.508	BEXZWYRGJTUPOH-NDEPHWFRSA-N	00000010100000110100000010000000000000000000000000000000	25-01-160241
Clc1ccc(cc1)CN1C(=O)c2c([C@@H]1C(=O)NC1CCCCCC1)c(n(c2C)Cc1ccc(cc1)Cl)C	CoCoCo_2181154	538.508	BEXZWYRGJTUPOH-MUUNZHRXSA-N	00000010100000110100000010000000000000000000000000000000	25-01-160242
[2H]C1([2H])CN(CC([2H])([2H])C1Oc1ccc(OC(F)(F)F)cc1)c1ccc(OC[C@@]2(C)Cn3cc(nc3O2)[N+](=O)[O-])cc1	PC-id_154731498,EMOLS-id_50604466	538.509	XDAOLTSRNUSPPH-JUENFIMFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160243
[2H]c1c([2H])c(c([2H])c([2H])c1OC[C@@]1(C)Cn2cc(nc2O1)[N+](=O)[O-])N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1	PC-id_145925636,EMOLS-id_50604466,PD127594	538.509	XDAOLTSRNUSPPH-HALYWNOZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160244
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCC2	PC-id_121041468	543.612	SSEWIVHXJFLDAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160628
FC(F)(F)Oc1ccc(C(=O)N2CCC(N3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69482402,SCHEMBL5546337	538.519	JPFNSZZUHGVXDF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160245
FC(F)(F)Oc1ccc(C(=O)N2CCC(N3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5546331,PC-id_69482396	538.519	JPFNSZZUHGVXDF-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160246
FC(F)(F)Oc1ccc(C(=O)N2CCN(C3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69482755,SCHEMBL5547198	538.519	PUFPSJSHTWQPKC-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160247
FC(F)(F)Oc1ccc(C(=O)N2CCN(C3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69482756,SCHEMBL5547203	538.519	PUFPSJSHTWQPKC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160248
Brc1cccc(n1)OCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(C)C	PC-id_58201385,SCHEMBL12747720	538.553	GCHOTNLWIVNKSN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-160249
COC(=O)c1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408622686	538.559	QMFQRDGWXRTCDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160250
COc1ccccc1NC(=O)Cc1noc(COC(=O)c2c(NC(=O)c3cccs3)sc3c2CCC3)n1	ZINC22_97976747,EMOLS-id_48766216,MCULE-2113306647,PC-id_75412661	538.595	OABDRLQDFFMSCC-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-160251
CC(C)[C@@H]1N(Cc2ccc(cn2)C(F)(F)F)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	BindingDB-id_722783,PC-id_145713348,BindingDB_PC-id_145713348	538.606	NWFWIGNSRSBNSH-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160252
CC(C)[C@@H]1N(Cc2ccc(nc2)C(F)(F)F)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12	PC-id_145713349,BindingDB_PC-id_145713349,BindingDB-id_722784	538.606	AACRYXRYMUPHOB-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160253
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)S(=O)(=O)N	SCHEMBL18367905	538.606	UDTXRQOSRSWHSD-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160254
S1Cc2c(nn(c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053480	538.615	MHOFTHOGTVBFIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160255
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)Oc1ccccc1)C	PC-id_51356443,SCHEMBL12879406	538.64	HPJOSBSCXRUOKE-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160256
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC(=O)NCCc2ccccc2)C1	PC-id_44053829	538.658	QLODJGZKDXMFIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160257
COC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)c(C(=O)NC3CCCCC3)c2N)sc2c1CCC2	PC-id_2403213,CoCoCo_3773739,ZINC22_3287701,MCULE-5304140965,EMOLS-id_48981035	538.681	IKHDTOPXNQJLMV-UHFFFAOYSA-N	00000010100110110000000010000000000000000000000000000000	25-01-160258
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC=C)C(=O)OC	PC-id_19642313	538.681	ZMLREWFKAOAVIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160259
C[C@H]1CN(CC2CCOCC2)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncn(c1)C1CCC1)C	PC-id_122626064,SCHEMBL18155602	538.685	MTQPPNHHQGLLRJ-GGYWPGCISA-N	00001010100010000001100010000000000000000000000000000000	25-01-160260
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncn(c1)C1CCC1)C	SCHEMBL597010,PC-id_25096171	538.685	MTQPPNHHQGLLRJ-MOPGFXCFSA-N	00001010100010000001100010000000000000000000000000000000	25-01-160261
N#Cc1c(NC(=O)CN(CCN2CCOCC2)CC(=O)Nc2sc3c(c2C#N)CCC3)sc2c1CCC2	EMOLS-id_44017251,ZINC22_102849764,PC-id_16331166,MCULE-6256025464,CoCoCo_4422892	538.685	WULIYGHFQQMFHT-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-160262
CC(C)[C@H]1c2c(CN1Cc1ccncc1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCC1	PC-id_134170999,SCHEMBL19772179	538.725	CLDLCYOZGPVVPC-MHZLTWQESA-N	00001010100000111001000010000000000000000000000000000000	25-01-160263
C=Cc1ccc(cc1)Cn1c(nn2c1c(/C=c/1c3nc(nn3nc1C(C)(C)C)C(C)C)c(n2)C(C)(C)C)C(C)C	PC-id_58444944,SCHEMBL11974209	538.729	BOXLNMTXIDRHAU-QJOMJCCJSA-N	00000000100000110001000110000000000000000000000000000000	25-01-160264
n1(c2n(nc(C(C)(C)C)c2C=c2c(nn3nc(nc23)C(C)C)C(C)(C)C)nc1C(C)C)Cc1ccc(cc1)C=C	PC-id_76788041	538.729	BOXLNMTXIDRHAU-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-160265
Cc1ccc(cc1)/C=C/C1Sc2c(C1)sc(c2)/C=C/c1sc2c(c1)sc(c2)/C=C/c1ccc(cc1)C	PC-id_68024540,SCHEMBL10067870	538.809	VMUWHLMMDCWKRK-KMZDDNQHSA-N	00000010100000110000000110000000000000000000000000000000	25-01-160266
S1C(Cc2sc(cc12)C=Cc1sc2c(sc(c2)C=Cc2ccc(cc2)C)c1)C=Cc1ccc(cc1)C	PC-id_77390189	538.809	VMUWHLMMDCWKRK-UHFFFAOYSA-N	00000010100000110000000110000000000000000000000000000000	25-01-160267
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)F)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134599120,SCHEMBL20253027	538.882	TUBDNIJIMQTMNW-LLVKDONJSA-N	00001010100000110001100010000000000000000000000000000000	25-01-160268
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)Nc1c(Cl)cccc1Br	PC-id_140882965	538.94	XMZWJQMZHRQPOM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160269
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)Nc1c(Cl)cccc1Br	PC-id_145210909	538.94	GEHFOHSOCHCFDR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160270
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2c1CCC2(C)C	BindingDB-id_799321,PC-id_134285160,SCHEMBL19900864	538.947	HVMQPFOBAPVDSM-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-160271
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)ccc1F	PC-id_21164685	539.042	LQTSSUVDECUWKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160272
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc(F)c1	PC-id_19640784	539.042	JVQNIMVKFYCDQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160273
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)ccc(F)c1	PC-id_19633944	539.042	DCEQEKVQSIFCOE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160274
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)ccc(F)c1	PC-id_19640668	539.042	UBOKCPONCMZODN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160275
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3C)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-8374967526,PC-id_19119422	539.069	OLWFOVJJSJJJDN-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-160276
c1(NC(=O)c2c(Cl)cnc(SCc3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_19119553,MCULE-7088816855	539.069	ASXFFLNHBXJECA-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-160277
CC1CCC(N1S(=O)(=O)C2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278683	539.141	ZQMDNYPPZCCTRU-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-160278
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CCO[Si](C(C)(C)C)(C)C	PC-id_71658297	539.331	KMAMVRURFPGIAH-MUKKUYKPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160280
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)OCC	PC-id_4196954	539.336	LPJMQVXKAJZVLI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160281
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(O)c1nc2SCCn2c1	PC-id_73100848	539.38	ZRDSFIULFHILJI-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-160282
Br[C@@]1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1nc2SCCn2c1	PC-id_11168679	539.38	ZRDSFIULFHILJI-BJZITVGISA-N	00001011100000110001001010000000000000000000000000000000	25-01-160283
Br[C@@]1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1nc2SCCn2c1	SCHEMBL6701543,PC-id_11786019	539.38	ZRDSFIULFHILJI-YJLNNSPDSA-N	00001011100000110001001010000000000000000000000000000000	25-01-160284
Br[C@@]1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(O)c1nc2SCCn2c1	SCHEMBL6701546,PC-id_69871630	539.38	ZRDSFIULFHILJI-VNTLTUIWSA-N	00001011100000110001001010000000000000000000000000000000	25-01-160285
Clc1c(cc(c2oc(C=Nc3sc4CCCc4c3C(=O)N)cc2)cc1)C(=O)OCc1c(Cl)cccc1	PC-id_50886484	539.43	YQTZEUIUNFSZFA-UHFFFAOYSA-N	00000010101000110000100010000000000000000000000000000000	25-01-160286
CCC1(c2c(CC1(CC)CC)nc(n2Cc1ccc(c(c1)Cl)Cl)C(C)C)C(C(=O)O)(C(=O)O)C(=O)O	SCHEMBL2511596,PC-id_67434672	539.448	DCGJFBBGMLFEPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160287
CCOC(=O)C(C1CCc2c1n(Cc1ccc(c(c1)Cl)Cl)c(n2)C(C)C)(C(=O)OCC)C(=O)OCC	PC-id_58460211,SCHEMBL2511594	539.448	XFTRFGRAKJUZCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160288
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408622217	539.451	BJQOFKOKDVKBOX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160289
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408625700	539.451	VXLNTIRFQUFIMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160290
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408616211	539.451	XHOOTVFURKXOOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160291
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408630652	539.451	WLKJGNVTSWILFA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160292
COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408577321	539.451	YLJJURNTONDCBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160293
COC(=O)c1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408616366	539.451	YBGFJJJQUPMEIL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160294
Brc1oc(c2n(CCC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_19725031	539.466	XHIDGTSLLBCMJJ-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-160295
Brc1oc(c2n(C(C)C)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_19725185	539.466	NNMDABQAEJLSAB-UHFFFAOYSA-N	00000010101000000001100010000000000000000000000000000000	25-01-160296
CNC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758634	539.473	OLBLEWGVQRGRTN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160297
Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1	PC-id_139507414,BindingDB-id_980704,SCHEMBL21378277	539.478	NKMVADSFCVABCV-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-160298
Brc1cc(c(OCCC(C)C)cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_17351002	539.505	YADKJVLFLKZMHW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160299
Brc1cc(c(OCCCCCC)cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_17343632	539.505	MOFVYANOGOPOSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160300
Brc1c(OCCCCCC)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_4959741	539.505	DCQJTTXMEUZITN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160301
Brc1c(OCCC(C)C)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_17339633	539.505	VLKSWORFTRKJCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160302
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_18848915,MCULE-1473847649	539.514	AHUBELRKIYYQJH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160303
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-7153008279	539.526	XXDJMARXCLUZSY-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160304
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2c[nH]cc2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524120	539.554	ZPYJYTPJTNTPMQ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-160305
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]ccc2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524063	539.554	RNKPUPRLVVCTPP-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-160306
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2occc2)cc1)C)C(=O)OCC	PC-id_5205915	539.557	FFUKZJJFEBQUKE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-160307
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2occc2)cc1)C)C(=O)OCC	PC-id_9612090	539.557	FFUKZJJFEBQUKE-CCVNUDIWSA-N	00000010101000110000000010000000000000000000000000000000	25-01-160308
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2ccc(F)cc2)cc1)C(=O)OC	PC-id_19658493	539.575	LISNPTJRYLQZFD-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160309
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2ccc(F)cc2)cc1)C(=O)OC	PC-id_73632998	539.575	LISNPTJRYLQZFD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160310
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2c(F)cccc2)cc1)C(=O)OC	PC-id_19659799	539.575	WILKFXOPVFFTLF-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160311
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2c(F)cccc2)cc1)C(=O)OC	PC-id_73634277	539.575	WILKFXOPVFFTLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160312
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccc(F)cc2)cc1)C)C(=O)OC	PC-id_5164233	539.575	YFFFZVPTASRMFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160313
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccc(F)cc2)cc1)C)C(=O)OC	PC-id_9610262	539.575	YFFFZVPTASRMFT-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160314
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_4172523	539.575	PEXINJNMAZWHCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160315
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_9651137	539.575	PEXINJNMAZWHCG-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160316
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2c(F)cccc2)cc1)C)C(=O)OC	PC-id_3590957	539.575	OWDNBVILHTTZTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160317
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2c(F)cccc2)cc1)C)C(=O)OC	PC-id_9627018	539.575	OWDNBVILHTTZTF-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160318
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_19659490	539.575	NKPJARSMEVPNJZ-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160319
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_73633976	539.575	NKPJARSMEVPNJZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160320
C1Cn2c(c(cn2)N(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)/C(=NC(=O)O)/NC(=O)O)N1	SCHEMBL4198720,PC-id_136350219	539.585	AXKZRBGJXBFUGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160321
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1c[nH]c2c1CN(C2(C)C)C(=O)Cc1ccccc1C(F)(F)F	PC-id_70375652,SCHEMBL10476042	539.592	ADKXXEOHMGYPRV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160322
CC(C)C1c2c(CN1Cc1cnc(nc1)C(F)(F)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)C	PC-id_134170767,SCHEMBL19771935	539.594	NUTOTIKVVLDNSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160323
O=C(c1sc2c(n1)[C@@H](N(C2)Cc1cnc(nc1)C(F)(F)F)C(C)C)NCc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368022	539.594	NUTOTIKVVLDNSQ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-160324
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@@H](N(C2)Cc1ccc(nn1)C(F)(F)F)C(C)C	SCHEMBL18367954	539.594	HXEPDFLSRJKZQQ-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160325
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@@H](N(C2)Cc1cnc(nc1)C(F)(F)F)C(C)C	SCHEMBL18368042	539.594	ALIVXVFCISSFPG-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160326
O=C(N1C(c2[nH]nc(NC(=O)c3cc(Oc4ccccc4)ccc3)c2C1)(C)C)N[C@H](CN(C)C)c1ncccc1	PC-id_24765702	539.628	YPVWIKBUSIYUBM-RUZDIDTESA-N	00000010100000111001000010000000000000000000000000000000	25-01-160327
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C(c1ccccc1)C(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19171154,MCULE-6572140306	539.641	QMGXXMAPJDNHGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160328
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCCc1ccccc1	PC-id_44053875	539.67	AHYMYEQDNNNRRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160329
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1ccccc1	PC-id_44053447	539.67	LDEQJLMARIOFSH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160330
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCC(CC1)C(F)F	PC-id_145713317,BindingDB_PC-id_145713317	539.701	IUIBVDJFKXMDCE-MORLXBONSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160331
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)C(F)F)Cc3s2)cc1	BindingDB-id_722747	539.701	IUIBVDJFKXMDCE-GRZKKUKKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160332
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C(=O)CCCC=CCC=CCC=CCC=CCC=CCC	PC-id_72196074	539.704	FNFMTTDHGQCTJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160333
Cc1nnc(cc1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1cc(c(cc1)S(=O)(=O)C)C1CCC1	SCHEMBL19771940,PC-id_134170772	539.713	RRMJAIPHYMUDOL-SANMLTNESA-N	00001010100000110001100010000000000000000000000000000000	25-01-160334
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC=C)C(=O)OCC	PC-id_17264424	539.713	UDZCPXFJXNFDPI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160335
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CN1CCCCC1)Cc1ccccc1)C(=O)OCC	PC-id_16515343	539.713	AHOHXWKDIKHTRH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160336
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCS(=O)(=O)CC1	PC-id_134170922,SCHEMBL19772095	539.731	RTYRLSZMFHTLKJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160337
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCS(=O)(=O)CC1	SCHEMBL18367889	539.731	RTYRLSZMFHTLKJ-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160338
CCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817142	539.742	IQQRZJCEHVMMJF-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160339
O=C(C(C)C)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817137	539.742	XQKYITJGGDYJIH-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160340
CCC(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(CC)O	PC-id_140817050	539.785	GGXXQICHJAYKIS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160341
CCC(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(CC)O	PC-id_141630856	539.785	GGXXQICHJAYKIS-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160342
CC(C1c2[nH]cnc2C(N1C(C)(C)C)C(CCC(C1c2ocnc2C(N1C(C)(C)C)C(C)(C)C)(C)C)(C)C)C	SCHEMBL18596184	539.839	HWKXAFITCRNFCP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-160343
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)OC(Cl)(Cl)Cl	PC-id_140817166	539.913	OAPWKBCECNDTCG-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-160344
Br[Se]1(Br)Cc2c(C1)c([se]c2C(=O)OCC)C(=O)OCC	PC-id_3666458	539.965	PIZXFZVPCSWOJC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160345
Clc1ccc(C(=O)Oc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)cc1	PC-id_19659741	539.987	XCURNVYAXZWTGK-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160346
Clc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cc1	PC-id_3396103	539.987	HYIAKKFAWCOIQP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160347
Clc1ccc(C(=O)Oc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)cc1	PC-id_73634220	539.987	XCURNVYAXZWTGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160348
Clc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cc1	PC-id_9667197	539.987	HYIAKKFAWCOIQP-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160349
Clc1ccc(C(=O)Oc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cc1	PC-id_19661466	539.987	XSYOWMXZZZGIRD-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160350
Clc1ccc(C(=O)Oc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cc1	PC-id_73635898	539.987	XSYOWMXZZZGIRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160351
Clc1ccc(C(=O)Oc2c(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cccc2)cc1	PC-id_19658536	539.987	WCRSKWMMBXCDQG-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160352
Clc1ccc(C(=O)Oc2c(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cccc2)cc1	PC-id_19659124	539.987	CEJKQPJKLFOXPH-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160353
Clc1ccc(C(=O)Oc2c(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cccc2)cc1	PC-id_73633040	539.987	WCRSKWMMBXCDQG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160354
Clc1ccc(C(=O)Oc2c(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cccc2)cc1	PC-id_73633620	539.987	CEJKQPJKLFOXPH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160355
Clc1cc(C(=O)Oc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)ccc1	PC-id_3277292	539.987	VHIYPBMCQWOGTP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160356
Clc1cc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)ccc1	PC-id_4071087	539.987	BNORBKCSNDMKOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160357
Clc1cc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)ccc1	PC-id_9645268	539.987	BNORBKCSNDMKOA-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160358
Clc1cc(C(=O)Oc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)ccc1	PC-id_9662445	539.987	VHIYPBMCQWOGTP-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160359
Clc1cc(C(=O)Oc2c(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cccc2)ccc1	PC-id_19658143	539.987	HDSVXKUDTOMDMI-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160360
Clc1cc(C(=O)Oc2c(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cccc2)ccc1	PC-id_3423348	539.987	BBWZFPLWZRAJIJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160361
Clc1cc(C(=O)Oc2c(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cccc2)ccc1	PC-id_73632655	539.987	HDSVXKUDTOMDMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160362
Clc1cc(C(=O)Oc2c(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cccc2)ccc1	PC-id_9668151	539.987	BBWZFPLWZRAJIJ-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160363
Clc1c(C(=O)Oc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)cccc1	PC-id_19661168	539.987	XAWGBEDYIGUTOL-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160364
Clc1c(C(=O)Oc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)cccc1	PC-id_73635608	539.987	XAWGBEDYIGUTOL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160365
Clc1c(C(=O)Oc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_19660997	539.987	YYLRMDWVYJMWKJ-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160366
Clc1c(C(=O)Oc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_73635444	539.987	YYLRMDWVYJMWKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160367
Clc1c(C(=O)Oc2c(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cccc2)cccc1	PC-id_4462474	539.987	QMFWUMJGMWSHML-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160368
Clc1c(C(=O)Oc2c(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cccc2)cccc1	PC-id_9671884	539.987	QMFWUMJGMWSHML-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160369
Clc1ccc(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)cc1	PC-id_19660001	540.03	CVHYZGQOOAAFJP-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160370
Clc1ccc(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)cc1	PC-id_73634468	540.03	CVHYZGQOOAAFJP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160371
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)cccc1	PC-id_5077100	540.03	LMCIRSRVTTZGAE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160372
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)cccc1	PC-id_9606616	540.03	LMCIRSRVTTZGAE-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160373
Clc1ccc(N2CC(CC2=O)C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc1	PC-id_44053595	540.034	NKMJMIVXOYGRJD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160374
C1CC1(C(=O)O)O/N=C(C2=CSC(=N2)N)/C(=O)C[C@H]3[C@H](N(C3=O)S(=O)(=O)O)CN4N=C5CNCC5=N4	PC-id_148796815	540.085	ONGDOAKEIZTOHH-ZUCMNLTOSA-N	00101010100000000001000010000000000000000000000000000000	25-01-160375
Cc1nn2CCN(c2c1C(=O)N[C@@H](C)c1ccc(cc1)C(=O)O)Cc1ccc(cc1)CCCOS(=O)(=O)C	PC-id_163959963	540.204	OSFZARRYTBXKHV-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160376
CCOC(=O)C(C1=CC=CC(=C1)CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)OC)(F)F	PC-id_160395707	540.218	ZYUZXGHMAFUIJJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160377
c1(OCCCC(=O)Nc2sc3CCCc3c2C#N)c(Br)cc(cc1Br)C(C)(C)C	MCULE-5730550032,EMOLS-id_327821037	540.311	UMIPAEOAYYDPKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160378
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-1781796631	540.418	GENXWBYUECLUBK-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160379
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-9410978622	540.418	AUVKUAPOVXHWCX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160380
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-3942694426	540.418	XBIFYEWWXAPPNK-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160381
c1(NC(=S)NNC(=O)c2ccc(COc3ccc(cc3Cl)Cl)o2)sc2c(CCC2)c1C(=O)OC	EMOLS-id_2471342,MCULE-7250463857,PC-id_2208967,TIMTEC546550,CoCoCo_996797	540.439	XHLVMINBUHSDOK-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-160382
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)C(F)(F)F	PC-id_135360607,SCHEMBL20538964	540.458	NDKGAGQYOZQHIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160383
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758549	540.458	NDKGAGQYOZQHIF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160384
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccccc1C(F)(F)F)C	SCHEMBL18758550	540.458	VZZKBCATDXUZCH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160385
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18758745	540.458	DPOKYTPIRQGFCZ-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160386
O=C(c1c2N(Cc3cccc(c3)C(F)(F)F)CC(n2nc1C(F)(F)F)C)N[C@H](c1ccc(cc1)C(=O)O)C	PC-id_138705360,SCHEMBL21081522	540.458	VLHIOZIXMXJENC-KZUDCZAMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160387
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)C)NC(c1ccc(cc1)C(=O)O)C	PC-id_145296883	540.458	JHXLUITWWKONCV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160388
OC(=O)Cc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18740007	540.458	IPRLZGOUYVLQHY-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160389
OC(=O)Cc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740028	540.458	XBHFGQANGIVPCK-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160390
OC(=O)Cc1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18740009	540.458	IPRLZGOUYVLQHY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160391
OC(=O)Cc1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740030	540.458	XBHFGQANGIVPCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160392
O=C(Cc1ccc(cc1F)c1cnc(nc1)Nc1cn2c(c1)C(=O)CC2)Nc1noc(c1)C1(CC1)C(F)(F)F	SCHEMBL18421053	540.469	FUTBKHPQRWHNLG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160393
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/NN)/N)C(=O)Nc1cc(c(cc1)F)C(F)F	PC-id_134303106,SCHEMBL19920832	540.486	CEWBOAGMUGZPRI-PXNMLYILSA-N	00001010100000110000000010000000000000000000000000000000	25-01-160394
CSCCOCn1nc(c2c1CN(C2)C(=O)C(CCCCCOc1cccc(n1)Br)(C)C)N	PC-id_144155919	540.517	MSGCSPDOICOROS-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-160395
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NC(=O)c1ccc[nH]1	SCHEMBL1371536,PC-id_16665369	540.542	ALWPVPCWTDDLRZ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-160396
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NC(=O)c1c[nH]cc1	SCHEMBL1370349,PC-id_16665446	540.542	YWMUVGSIGJYGDG-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-160397
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]cnc2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524119	540.542	QZOKZHZHWORHHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160398
CC[C@@H]1c2c(CN1Cc1cnc(cc1)OC(F)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134167014,SCHEMBL19767354	540.578	WZEKEEKPSMVHOH-QGZVFWFLSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160399
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_21164357	540.578	SNNNJNYHYNVLSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160400
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)C)C(=O)OCC	PC-id_21164248	540.578	GEDDWTIUGAFGOY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160401
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccccc1C(F)(F)F	SCHEMBL1983329,PC-id_24946604	540.58	FDKGTYPQYNZRES-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160402
[Te]1C(=[N+](c2sccc12)C)C=CC=C1[Te]c2c(scc2)N1C	PC-id_58996170	540.607	CAAXOMHBWXGIQG-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-160403
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)COc2ccc(cc2)c2ccccc2)cc1)C	SCHEMBL2095617,PC-id_67275546	540.61	FHZGSTGCIVMPAF-WJOKGBTCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160404
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCC(CC2)COc2ccc(cc2)c2ccccc2)cc1)C	SCHEMBL2095620,PC-id_67275547	540.61	FHZGSTGCIVMPAF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160405
Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1cn(C[Si](C)(C)C)nn1	BindingDB-id_980715,PC-id_150586167	540.637	IOWVHZBOLZCRCE-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160406
s1c2CCC(C(=O)N3CCN(CC3)C(c3ccccc3)c3ccccc3)c2nc1NC(=O)c1ccc(F)cc1	PC-id_16947187	540.651	PFGKWHDULQNNOW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160407
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)Nc1ccc(cn1)C)CCn1c(C)cc2c1CC(C2)(C)C	PC-id_138650434,SCHEMBL21018848	540.656	MOBZCTVZVXGWEP-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-160408
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1C#N	PC-id_140883016	540.662	SXYOUUXSYVVVPU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160409
CNCC(=O)NC(C(C)(C)C)C(=O)N1CCCC1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F	SCHEMBL18754806	540.673	YZYUSRZQAFNDMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160410
CO[C@H]1CN(CCCN(CCCCOC[C@@H]([C@@H]1O)O)CC(=O)Nc1sc2c(c1C(=O)N)CCC2)C(=O)C	MCULE-7743855368,ZINC22_643585174,LAS-54565308,EMOLS-id_171983212	540.673	RRGFHQGOKZRAQZ-YDHSSHFGSA-N	00000010100000000101000010000000000000000000000000000000	25-01-160411
S(=O)(Oc1c(ccc(c1)C)C)NC(c1n2N=C(C(Oc3c(cc(N(CCO)CC)cc3)C)c2nn1)CC)C	PC-id_59969395	540.678	BJIMQFHUVBAJRV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160412
c1(NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_3101963,TIMTEC479577,MCULE-5765416123,EMOLS-id_639214,SPECS-id_AT-225/NB93176	540.686	UKRKRFHJAGZLOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160413
CCOC(=O)c1c(N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	CoCoCo_5796585,ZINC22_6599778,PC-id_92301841	540.686	UKRKRFHJAGZLOA-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160414
CCOC(=O)c1c(N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)sc2c1CCC2	PC-id_92180294,ZINC22_2688068,CoCoCo_5796586	540.686	UKRKRFHJAGZLOA-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160415
CCOC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408614614	540.694	FHKUTUPJCRTZIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160416
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(=O)n(c1)C1CC1	PC-id_134170905,SCHEMBL19772077	540.697	QWSLYOLILRTYOX-UHFFFAOYSA-N	00100010100000111001100010000000000000000000000000000000	25-01-160417
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(=O)n(c1)C1CC1	SCHEMBL18367878	540.697	QWSLYOLILRTYOX-SANMLTNESA-N	00100010100000111001100010000000000000000000000000000000	25-01-160418
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccn(c(=O)c1)C1CC1	SCHEMBL18367941	540.697	AEJPYUMETBXGFE-SANMLTNESA-N	00100010100000111001100010000000000000000000000000000000	25-01-160419
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC)C(=O)OCC	PC-id_17307407	540.697	ISTDIMPPCJOCDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160420
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC=C)C(=O)OCC	PC-id_19732740	540.697	FNPZWGXGJJOHGU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160421
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC=C)C(=O)OCC	PC-id_19733070	540.697	NPVPMOYKTGPVNE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160422
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC=C)C(=O)OCC	PC-id_17306672	540.697	KXVHFFAUKINWCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160423
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC=C)C(=O)OCC	PC-id_19637051	540.697	QZXYHVDLHAVSHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160424
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC=C)C(=O)OCC	PC-id_19637392	540.697	UEUSZSQIJVNGMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160425
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC=C)C(=O)OCC	PC-id_19637736	540.697	AZQMPQBZWVDNDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160426
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC=C)C(=O)OCC	PC-id_19643831	540.697	PQTRJVCHQYNBGT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160427
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC=C)C(=O)OC	PC-id_19639303	540.697	SIVBRANHKIZACG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160428
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC=C)C(=O)OCC	PC-id_19632494	540.697	YJOKIQAXBMNPGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160429
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC=C)C(=O)OC	PC-id_17268722	540.697	CHPGACRBLAOYTF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160430
N1(CC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2cccs2)SC1=S	PC-id_73468649,MCULE-3888973206	540.701	PJZMBOWJKCXTDC-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-160431
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)/C(=C/c2sccc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884052	540.701	PJZMBOWJKCXTDC-ZDLGFXPLSA-N	00000010100100101001000010000000000000000000000000000000	25-01-160432
Cc1c(ccc(c1)N=Nc1c(cc(cc1)N=Nc1ccc(s1)N1CCCC1)C)N=Nc1nc2c(s1)CCC2	PC-id_88875044	540.706	HCXQLWWCSKXPSX-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-160433
Cc1cc(/N=N/c2ccc(s2)N2CCCC2)ccc1/N=N/c1ccc(c(c1)C)/N=N/c1sc2c(n1)CCC2	SCHEMBL12071004	540.706	HCXQLWWCSKXPSX-JYZMYSRCSA-N	00000010100100110001100010000000000000000000000000000000	25-01-160434
CN(CCN(S(=O)(=O)c1cc(NC2CCCCC2)nc(c1)Nc1sc2c(n1)CCC2)c1ccccc1)C	PC-id_144988158	540.744	TWIUUXABXIOZKO-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-160435
CC1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)F)Cl)C)C(=O)C(=O)NC(CCF)(CCF)C(=O)NC	PC-id_134604960,SCHEMBL20259517	540.962	XTNDLTHBLGBPOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160436
C[C@H]1CCc2c(c(c(n12)C(=O)Nc1cc(c(cc1)F)Cl)C)C(=O)C(=O)NC(CCF)(CCF)C(=O)NC	SCHEMBL20259516,PC-id_134604959	540.962	XTNDLTHBLGBPOB-ZDUSSCGKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160437
Clc1ccc(cc1)N(NC(=O)c1cc2c(s1)NNC2NC(=O)c1ccc(cc1)CN1CCOCCC1)C	PC-id_143286188	541.065	IQYIEHXHJGIUIP-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-160438
CCC(C)/C(=CC1=[I]c2cn(nc2N1)Cc1cc(c(cc1)OC)S(=O)(=O)C)/C1CC1	PC-id_163663405	541.09	WFJKYGRWEFEQBL-GZTJUZNOSA-N	00100011100000110001000010000000000000000000000000000000	25-01-160439
CC(C1=CC=C(C=C1)C(=O)[O-])NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC4=CC(=CC(=C4)O)C(F)(F)F	PC-id_153680942	541.132	JKSXTIIXEKGERV-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-160440
Ic1n2C(C(c3ccc(cc3)C#N)c3cc(Cl)c(F)c(Cl)c3)(C(=O)Nc2nc1)C	PC-id_77277175	541.144	SAZVIZKEOOVHPQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160441
Ic1n2[C@](C(c3ccc(cc3)C#N)c3cc(Cl)c(F)c(Cl)c3)(C(=O)Nc2nc1)C	SCHEMBL2390824,PC-id_67389833	541.144	SAZVIZKEOOVHPQ-OTOKDRCRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160442
Ic1n2C([C@H](c3ccc(cc3)C#N)c3cc(Cl)c(F)c(Cl)c3)(C(=O)Nc2nc1)C	PC-id_67389834,SCHEMBL2390828	541.144	SAZVIZKEOOVHPQ-QRIPLOBPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160443
C1COC1CN2C3=C(C=C(C3)C(=O)O)N=C2CN4CCC(=CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F	PC-id_165040967	541.213	APRJSTSHUFGKLW-UHFFFAOYSA-N	00001011100011111001100010000000000000000000000000000000	25-01-160444
C1CO[C@@H]1CN2C3=C(C=C(C3)C(=O)O)N=C2CN4CCC(=CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F	PC-id_165016720	541.213	APRJSTSHUFGKLW-QHCPKHFHSA-N	00001011100011111001100010000000000000000000000000000000	25-01-160445
CCS(=O)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(O2)[C@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602982	541.222	ASSYNBQEQIHZPX-MCSCQSGASA-N	00000010100010101000000010000000000000000000000000000000	25-01-160446
CC1(C2=C(CN1C(=O)[O-])C(=NN2[C@H](COC(C)(C)OC)C3=CC=CC=C3)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_152414325	541.285	XMCQSEKWEPLGRW-OAQYLSRUSA-M	00001010100000110001000010000000000000000000000000000000	25-01-160447
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1cc(ccc1)C)CC2=O	PC-id_11533964	541.299	UBHORSXLBCIIOK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160448
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)CC2=O	PC-id_11541517	541.299	YDHAOOIIMMVEOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160449
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(cccc1)C)CC2=O	PC-id_11649940	541.299	VWGAUFIXNDPSDG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160450
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)CCc1ccccc1)CC2=O	PC-id_11497556	541.299	AYKKADSANCZWDA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160451
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CCC1)Cc1ccccc1)CC2=O	PC-id_11504828	541.299	COTFAIFBZWNYLF-UHFFFAOYSA-N	00000010100000110101000010000000000000000000000000000000	25-01-160452
CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=N1)NC(=O)C4=CC=C(C=C4)N	PC-id_153631900	541.301	HCENIRWJUUPPND-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160453
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)Cl)Cl)C	SCHEMBL18758555	541.35	BXCQOOITPCEYIK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160454
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(Cl)cc(c1)Cl)C	SCHEMBL21081544,PC-id_138705382	541.35	BTPAEUXBODIODR-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160455
COC(=O)c1ccc(cn1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740281	541.446	CCXLDUIRDIFNNG-ZDUSSCGKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160456
COC(=O)c1ccc(cn1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740280	541.446	CCXLDUIRDIFNNG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160457
COC(=O)c1ccc(nc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758564	541.446	ARUKKWRMSWNVNW-ZDUSSCGKSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160458
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc(Cl)c1	PC-id_19633051	541.47	ZNFCZLNAVUMUMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160459
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc(Cl)cc1	PC-id_21166979	541.47	AQHZKVJMLCGEIS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160460
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc(Cl)c1	PC-id_19632940	541.47	AFQQSYNSCIKVIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160461
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc(Cl)cc1	PC-id_17304875	541.47	SORQGUBSBMWQGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160462
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)ccc(Cl)c1	PC-id_19639732	541.47	TYOGKXHZXHWODA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160463
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)cc(Cl)cc1	PC-id_19638192	541.47	RMCZHNWCCRZBTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160464
Clc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)ccc(Cl)c1	PC-id_68660675,SCHEMBL3484465	541.472	DBKIMPKDDMYSJQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160465
Clc1c(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1982228,PC-id_24946078	541.472	AXYOVNWLMCLWOQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160466
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/NN)/N)C(=O)Nc1c(c(ncc1)C(F)F)F	SCHEMBL19920787,PC-id_134303065	541.474	UVPXASWRSUOJDF-QPEQYQDCSA-N	00001010100000101000000010000000000000000000000000000000	25-01-160467
O=C1[C@@H](NC(=O)/C(=N/OC2(CC2)C(=O)O)/c2csc(n2)N)[C@@H](N1S(=O)(=O)O)Cn1nc2c(n1)CNC2	PC-id_118379288	541.518	JZZRZTAVPIKLKC-BKLIQMLXSA-N	00101010100000000001000010000000000000000000000000000000	25-01-160468
O=C1[C@@H](NC(=O)/C(=N/OC2(CC2)C(=O)O)/c2csc(n2)N)[C@H](N1S(=O)(=O)O)Cn1nc2c(n1)CNC2	PC-id_118379289	541.518	JZZRZTAVPIKLKC-XLXYIPKMSA-N	00101010100000000001000010000000000000000000000000000000	25-01-160469
O=C1[C@@H](NC(=O)/C(=NOC2(CC2)C(=O)O)/c2csc(n2)N)[C@H](N1S(=O)(=O)O)Cn1nc2c(n1)CNC2	SCHEMBL17093481,PC-id_118379287	541.518	JZZRZTAVPIKLKC-VBLJJHEISA-N	00101010100000000001000010000000000000000000000000000000	25-01-160470
O=C1[C@@H](NC(=O)C(=NOC2(CC2)C(=O)O)c2csc(n2)N)[C@@H](N1S(=O)(=O)O)Cn1nc2c(n1)CNC2	SCHEMBL17093482	541.518	JZZRZTAVPIKLKC-JQWIXIFHSA-N	00101010100000000001000010000000000000000000000000000000	25-01-160471
CN(C[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)F)Cc1ccccc1	SCHEMBL12878972,PC-id_24765994	541.616	DOLOONAFWAGOHL-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160489
O=C1[C@@H](NC(=O)C(=NOC2(CC2)C(=O)O)c2csc(n2)N)[C@H](N1S(=O)(=O)O)Cn1nc2c(n1)CNC2	SCHEMBL17093483	541.518	JZZRZTAVPIKLKC-PWSUYJOCSA-N	00101010100000000001000010000000000000000000000000000000	25-01-160472
O=C1C(NC(=O)/C(=NOC2(CC2)C(=O)O)/c2csc(n2)N)[C@@H](N1S(=O)(=O)O)Cn1nc2c(n1)CNC2	PC-id_118393558,SCHEMBL17111926	541.518	JZZRZTAVPIKLKC-HYYRLNSHSA-N	00101010100000000001000010000000000000000000000000000000	25-01-160473
O=C1C(NC(=O)/C(=NOC2(CC2)C(=O)O)/c2csc(n2)N)C(N1S(=O)(=O)O)Cn1nc2c(n1)CNC2	PC-id_144934547	541.518	JZZRZTAVPIKLKC-MYKKPKGFSA-N	00101010100000000001000010000000000000000000000000000000	25-01-160474
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCC)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-7358151703,PC-id_18848930	541.53	YHNQWMCCIHLVFI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160475
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NC(=O)c1c[nH]cn1	SCHEMBL1370913,PC-id_57749830	541.53	KGWAHENHHQIGFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160476
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccnc1NC(=O)c1ccc[nH]1	SCHEMBL1370575,PC-id_67008778	541.53	GTQCGIMEYMXSBX-UHFFFAOYSA-N	00000010110000111001000010000000000000000000000000000000	25-01-160477
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccncc1NC(=O)c1ccc[nH]1	PC-id_67009073,SCHEMBL1371434	541.53	JVAGVWQRCAYFKK-UHFFFAOYSA-N	00000010110000111001000010000000000000000000000000000000	25-01-160478
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ncccc1NC(=O)c1ccc[nH]1	SCHEMBL1371239,PC-id_67009003	541.53	XRUIQRUASDCTAH-UHFFFAOYSA-N	00000010110000111001000010000000000000000000000000000000	25-01-160479
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1C(F)(F)F	PC-id_24947886,SCHEMBL1984361	541.568	DKLDNOOWGMMJOF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160480
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2sccc2)cc1)C)C(=O)OC	PC-id_19661661	541.596	AEZKQPJSOAUDJD-UVHMKAGCSA-N	00000010100100110000000010000000000000000000000000000000	25-01-160481
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2sccc2)cc1)C)C(=O)OC	PC-id_73636091	541.596	AEZKQPJSOAUDJD-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-160482
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2sccc2)cc1)C(=O)OCC	PC-id_5063852	541.596	GHESCTQPTLRAOS-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-160483
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2sccc2)cc1)C(=O)OCC	PC-id_9605962	541.596	GHESCTQPTLRAOS-LGJNPRDNSA-N	00000010100100110000000010000000000000000000000000000000	25-01-160484
CN1CCN(CC1)c1ccc(cc1NC(=O)C)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24751608,SCHEMBL4293036	541.598	HDSKGKXKRIFMBY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160485
C1Cn2c(c(cn2)C(CNC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(NC(=O)O)NC(=O)O)N1	SCHEMBL5000605,PC-id_136410114	541.601	AXKKTOJNKCLHIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160486
C1Cn2c(c(cn2)N(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)C(NC(=O)O)NC(=O)O)N1	PC-id_136350218,SCHEMBL4198713	541.601	QSNDWTKIJFBUKE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160487
CC1(c2c(CN1C(=O)OC(CN(C)Cc1ccccc1)c1ccccc1)c(n[nH]2)NC(=O)c1ccc(cc1)F)C	PC-id_89800708,SCHEMBL15252377	541.616	DOLOONAFWAGOHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160488
C=CC(=O)Nc1cc2c(o1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)c1ccccc1	PC-id_89238111,SCHEMBL14056801	541.617	OMOQFDBZRXFKNT-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-160490
CCOc1cc(/C=c/2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)ccc1OCc1ccccc1	EMOLS-id_45965765,ZINC22_97946792	541.617	MGEGKDIVVLOFMK-SAMYGSEPSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160491
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)C)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-3061001349	541.617	MXAZANRHWBDZFY-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160492
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-3257421105	541.617	ZKXWPZPYKBFVBM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160493
n12nc(nc1sc(=Cc1ccc(c(OCC)c1)OCc1ccccc1)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-5899419472	541.617	MGEGKDIVVLOFMK-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-160494
C=CC(=O)Nc1sc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(c(c1)OC)OC	SCHEMBL14057316,PC-id_89238553	541.639	DEHUXGFFPKPOSH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160495
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccccc2)cc1	PC-id_44053361	541.642	UWVNOFGHQZVXCJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160496
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C	SCHEMBL18313312	541.644	QMDXHLBYISVDTI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160497
OCc1c(cncc1c1cc(Nc2ccnc(n2)C)c(=O)n(c1)C)N(CCn1c(C=O)cc2c1CC(C2)(C)C)C	PC-id_138649938,SCHEMBL21018313	541.644	YVKMUGHBVZASSC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-160498
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(=O)OC	PC-id_134170850,SCHEMBL19772020	541.682	SYBHGWSBXSTGRO-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160499
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)[C@](N(C2)C(=O)OCc1ccccc1)(C)C(C)C	SCHEMBL16224732,PC-id_117688908	541.682	ZWBOSXCNQTTYGX-MHZLTWQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-160500
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_11051524,PC-id_4089827,MCULE-4468596963	541.685	RPUZYRCYAOZFJQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160501
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)C)C)C)sc2c1CCC2	CoCoCo_2662455,PC-id_97991685	541.685	RPUZYRCYAOZFJQ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160502
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)C)C)C)sc2c1CCC2	PC-id_97991686,CoCoCo_2662456	541.685	RPUZYRCYAOZFJQ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160503
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC(=O)NCCc2ccccc2)C1	PC-id_44053874	541.685	FBAFFURISJGQGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160504
O=C(N1Cc2c(C1)c(nn2C(=O)c1c(Cl)cccc1C(F)(F)F)I)OC(C)(C)C	SCHEMBL18021090,PC-id_122492548	541.691	KLZBCRXAEMYDKI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160505
CCc1scc(n1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(CC2[C@@H]1C2)CC1CCOCC1	SCHEMBL14038510,PC-id_71053241	541.709	SAJTXHIAFRTNCG-LCGBLBJTSA-N	00100010100010000101010010000000000000000000000000000000	25-01-160506
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(=O)NCCc2ccccc2)C1	PC-id_44053849	542.497	FAUUMDZWDBJNSI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160541
s1cc(nc1CC)C(=O)Nc1n[nH]c2C(N(C(=O)N3C4C(C4)CN(C(C3)C)CC3CCOCC3)Cc12)(C)C	PC-id_77996761	541.709	SAJTXHIAFRTNCG-UHFFFAOYSA-N	00100010100010000101010010000000000000000000000000000000	25-01-160507
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CO	PC-id_140817082	541.715	BJZPBWNPGVWGPB-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160508
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N[C@@H](c1ccccc1)CO)NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817075	541.715	RODUMADJZPWSOQ-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160509
CCOC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817047	541.715	AXOUBCMTZYBLLS-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160510
Clc1ccc(NC(=O)OCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2090392,PC-id_67274568	541.983	KEVBNKVUXBONSB-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160511
Clc1ccc(NC(=O)OCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2090397,PC-id_67274570	541.983	KEVBNKVUXBONSB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160512
Clc1ccc(COc2c(OC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_4302683	542.003	WVLNGPFICLAZAO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160513
Clc1ccc(COc2c(OC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_9656894	542.003	WVLNGPFICLAZAO-XODNFHPESA-N	00000010100000110000000010000000000000000000000000000000	25-01-160514
Clc1n(nc(c1C=CC(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C)C1CS(=O)(=O)CC1	MCULE-3067828298,EMOLS-id_43770704,PC-id_3414995	542.025	PRYXNXVKROKVLM-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-160515
Clc1n(nc(c1/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C)C1CS(=O)(=O)CC1	PC-id_5819526	542.025	PRYXNXVKROKVLM-VOTSOKGWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-160516
COC(=O)c1c(NC(=O)COC(=O)/C=Cc2c(C)nn(c2Cl)[C@@H]2CCS(=O)(=O)C2)sc2c1CCC2	CoCoCo_3063165	542.025	PRYXNXVKROKVLM-FMFIFOJESA-N	00000010100000000001100010000000000000000000000000000000	25-01-160517
COC(=O)c1c(NC(=O)COC(=O)/C=Cc2c(C)nn(c2Cl)[C@H]2CCS(=O)(=O)C2)sc2c1CCC2	CoCoCo_3063167	542.025	PRYXNXVKROKVLM-FWWRYZNZSA-N	00000010100000000001100010000000000000000000000000000000	25-01-160518
COC(=O)c1c(NC(=O)COC(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)sc2c1CCC2	CoCoCo_3063166,ZINC22_3379146,PC-id_2497268	542.025	PRYXNXVKROKVLM-KTRBRXNASA-N	00000010100000000001100010000000000000000000000000000000	25-01-160519
COC(=O)c1c(NC(=O)COC(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)sc2c1CCC2	PC-id_2497262,ZINC22_3379143,CoCoCo_3063164	542.025	PRYXNXVKROKVLM-YBJDMEARSA-N	00000010100000000001100010000000000000000000000000000000	25-01-160520
C[C@@H](C1CC=C(C=C1)C(=O)OC)NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC4=CC=C(C=C4)C(F)(F)F	PC-id_147279693	542.175	CSBBSXAKJHPAOB-LBAUFKAWSA-N	00000010100011110001000010000000000000000000000000000000	25-01-160521
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=CC(=CC(=C4)OC)OC	PC-id_153012297	542.191	VAHIKRFKIJJYQH-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160522
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)C1CCN(CC1)CC=Cc1ccc(cc1)C(F)(F)F	PC-id_87333658,SCHEMBL2094190	542.549	YQJWTYNRYADDGO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160542
CC1(c2c(CN1C(=O)C1(C3C1=CC=CC=C3)COCc1ccccc1)c(n[nH]2)NC(=O)C1(CC1)[Si](C)(C)C)C	PC-id_163992887	542.271	UCEYCVDDVJYSKO-UHFFFAOYSA-N	00100010100000110111010010000000000000000000000000000000	25-01-160523
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccc(N)cc1)CC2=O	PC-id_11635587	542.287	MMPSZQJODRMBTO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160524
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(N)cccc1)CC2=O	PC-id_11621182	542.287	NNPPFQXQQXUQCR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160525
CC1(C2=C(CN1C(=O)O)C(=NN2[C@H](COC(C)(C)OC)C3=CC=CC=C3)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_152414326	542.292	XMCQSEKWEPLGRW-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160526
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F	SCHEMBL18740197	542.43	GQLOGZWJKMNJNZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160527
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F	SCHEMBL18740194	542.43	GQLOGZWJKMNJNZ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160528
Oc1cc(CN2CCn3c2c(C(=O)NC(c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740141	542.43	JKSXTIIXEKGERV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160529
Oc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18758666	542.43	JKSXTIIXEKGERV-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160530
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OC(F)(F)F)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740182	542.43	OMDYCZVARQRJCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160531
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OC(F)(F)F)NCCc1ccc(cc1)C(=O)O	SCHEMBL18740183	542.43	BOOKDSXGWJIFGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160532
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OC(F)(F)F)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740216	542.43	OMDYCZVARQRJCT-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160533
OCC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18739976	542.43	FSXCPFGNYDFPPY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160534
OC[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18739973	542.43	FSXCPFGNYDFPPY-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160535
F[C@@H]1Cc2n(C1)c(c(c2C(=O)C(=O)NC1(CC(C1)(F)F)c1c[nH][nH]1)C)C(=O)Nc1ccnc(c1F)C(F)F	PC-id_142295164	542.434	BWUDJPIXMXCDTE-SNVBAGLBSA-N	00001110100000101001100010000000000000000000000000000000	25-01-160536
Brc1c(OCc2ccccc2)c(OC)cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_1679386	542.441	KKHAZSCHSLMDHX-VAWYXSNFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160537
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)OC	PC-id_5015387,MCULE-4716843347	542.441	KKHAZSCHSLMDHX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160538
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24945893,SCHEMBL1985453	542.46	PSAAKFRUXNMHCP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160539
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(N5CCN(CC5)C)ccc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24946077,SCHEMBL1984817	542.46	RAGLGFMSRDYEDV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160540
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)N1CCC(CC1)CC=Cc1ccc(cc1)C(F)(F)F	SCHEMBL2094854,PC-id_87333691	542.549	KEKPVHLWNDXNLC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160543
FC(F)(F)c1ccc(/C=C/CC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278836,SCHEMBL2094848	542.549	KEKPVHLWNDXNLC-OYBMRZNASA-N	00000010100010110001100010000000000000000000000000000000	25-01-160544
FC(F)(F)c1ccc(C(=C)CC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278837	542.549	ZYZJHOFABXMUTD-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160545
FC(F)(F)c1ccc(C=CCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_6321003	542.549	KEKPVHLWNDXNLC-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160546
FC(F)(F)c1ccc(C(=C)CC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_78381697	542.549	ZYZJHOFABXMUTD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160547
FC(F)(F)c1ccc(C=CCN2CCC(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67275260	542.549	YQJWTYNRYADDGO-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160548
FC(F)(F)c1ccc(/C=C/CN2CCC(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2094183,PC-id_67275259	542.549	YQJWTYNRYADDGO-OYBMRZNASA-N	00000010100010110001100010000000000000000000000000000000	25-01-160549
COC(=O)[C@@H](NC(=O)C1CCc2n1c(nn2)Cc1ccccc1)Cc1ccc(cc1)c1c(OC)cnn(c1=O)C	SCHEMBL4515384,PC-id_69075175	542.586	NCGGTKYTLJAEQM-HMTLIYDFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160550
COC(=O)[C@@H](NC(=O)[C@@H]1CCc2n1c(nn2)Cc1ccccc1)Cc1ccc(cc1)c1c(OC)cnn(c1=O)C	SCHEMBL4515381,PC-id_69075172	542.586	NCGGTKYTLJAEQM-VXKWHMMOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160551
O=C(NC(Cc1ccc(cc1)c1c(OC)cnn(c1=O)C)C(=O)OC)C1n2c(nnc2Cc2ccccc2)CC1	PC-id_77599056	542.586	NCGGTKYTLJAEQM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160552
CC1(C(=NOC(=O)CN(CS(=O)(=O)N)C(=O)ON=C2C(Sc3nccn23)(C)C)n2ccnc2S1)C	PC-id_88718416,SCHEMBL11072841	542.612	ZOTIEJXBYAGMEB-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-160553
CC1(C(=NOC(=O)CNS(=O)(=O)CNC(=O)ON=C2C(Sc3nccn23)(C)C)n2ccnc2S1)C	SCHEMBL11072819,PC-id_88718413	542.612	RNLQRQIATHKHTE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-160554
COc1cc(C)c(c(c1)C)S(=O)(=O)N1CCCCC1CCCC(=O)N1Cc2c(C1)c(nn2C)C(F)(F)F	PC-id_44252277,SCHEMBL3447625	542.614	QJIXLMYCBNXPHQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160555
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1cccc(OC(F)(F)F)c1	CHEMBL378951,NSC736068,PC-id_24205513	542.622	UWEMRDAZSRCRSC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160556
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(OC(F)(F)F)cc1	NSC736065,CHEMBL207439,PC-id_24205510	542.622	WXZKRRQPTAOTBE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160557
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053685	542.622	UATRQAXCSFNJEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160558
CCC(=O)Nc1scc2c1C(=O)N(C2=O)C(c1ccc(c(c1)OCc1ccccc1)OC)CS(=O)(=O)C	SCHEMBL751178,PC-id_66788749	542.624	ANBSTJNWOFSYFR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160559
COC(=O)c1c(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)sc2c1CCC2	MCULE-2621024895,CoCoCo_2954807,ZINC22_2631450,PC-id_2093886,EMOLS-id_43734050	542.624	DSSKEUSHQKRRTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160560
CN1CCN(CC1)C(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C	PC-id_121444081,BindingDB-id_989380,SCHEMBL17878852	542.632	OLQDVCOUWQVVHA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160561
C=C(C1CCn2c1ccc2C(=O)c1ccccc1)N(CCC(c1ccccc1)Cc1ccc(cc1)C(F)(F)F)C	PC-id_89178562,SCHEMBL13821744	542.634	UPIKNZLDSGHRLB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160562
CO/C(=C(OCCOCCOCC(=O)N[C@H](C(C)C)C)/C)/C=C/1C(=C)Cc2c1[nH]nc2Nc1cccc(c1)F	PC-id_143051403	542.642	HXTAJNJYFODLBL-GRTPFZBYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160563
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)OCc1ccccc1	EMOLS-id_328224374,MCULE-8295418011	542.645	CJGRATWMMMPCGD-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-160564
CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)[C@H](O)C)C	SCHEMBL12442268,PC-id_68265244	542.645	SJKNWMVIILAHDV-AJDBGRLRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160565
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(NC)C)C(O)C)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_77445140	542.645	SJKNWMVIILAHDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160566
O=C(c1ccc(cc1)N1CCN(CC1)Cc1ccccc1)Nc1nn(c2c1CNC2)S(=O)(=O)c1ccccc1	SCHEMBL4279251,PC-id_68984182	542.652	SMFJTIJHDVZDGP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160567
O=C(c1ccc(cc1)N1CCN(CC1)Cc1ccccc1)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccccc1	PC-id_24751738,SCHEMBL4279240	542.652	JMRDDHVMKCXQDD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160568
CCOC(=O)c1c(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408616322	542.667	GFIPFCITQKKVND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160569
CCOC(=O)c1c(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408617139	542.667	HVHFMFBFCFLBLA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160570
CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408619171	542.667	MUQVKNCLTACHRM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160571
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N1CCCC1	SCHEMBL14056243,PC-id_89237611	542.67	WDLDVCOUTINVJG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-160572
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC=C)C(=O)OCC	PC-id_17307010	542.67	UTDHPBRCYXRZEQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160573
CC1(C(=NOC(=O)CNSSCNC(=O)ON=C2C(Sc3nccn23)(C)C)n2ccnc2S1)C	PC-id_88738163,SCHEMBL11185724	542.678	ALPOZVGDUUPCSX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-160574
O=C(ON=C1n2ccnc2SC1(C)C)CNSSN(C(=O)ON=C1n2ccnc2SC1(C)C)C	PC-id_54016186,SCHEMBL11185722	542.678	KVUBVXRAZWQLBX-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-160575
CC[C@@H]1c2c(CN1Cc1ncc(cc1)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCC1	PC-id_134170872,SCHEMBL19772042	542.688	RXGBEUPMHOYZMJ-HSZRJFAPSA-N	00001010100000111001000010000000000000000000000000000000	25-01-160576
CC[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(CC)ncc1F)CC	PC-id_68610285,SCHEMBL3354697	542.692	LFDDHBDPPVTHHP-UXHICEINSA-N	00000010100010100001000010000000000000000000000000000000	25-01-160577
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(OC(C)C)cc4)Cc3s2)nc1	BindingDB_PC-id_145713360,BindingDB-id_722800,PC-id_145713360	542.713	QPBIFMBZHSQOGX-AREMUKBSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-160578
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC)C(=O)OCC	PC-id_19639233	542.713	IOIVCGGIILGBDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160579
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC)C(=O)OC	PC-id_19639497	542.713	NZOGZMGYUHFWHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160580
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC)C(=O)OCC	PC-id_17305184	542.713	OECCHIZIBDVJIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160581
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)C)C(=O)OCC	PC-id_19639386	542.713	FUXBXCCLLZDCCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160582
COC(OC(c1ccccc1)COC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(C)C	PC-id_140817119	542.742	QCJOWQAGDFCDFN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160583
COC(OC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)(C)C	PC-id_140817170	542.742	ZKGJYCJLTLPPBU-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160584
CC1(c2c(CN1C(=O)Nc1c(cccc1Br)Cl)c(n[nH]2)NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL20348609,PC-id_135195477	542.92	LULHCDBIUBINDF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160585
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3C)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-8390786608,PC-id_19119421	543.101	LZLLGPNXFWXNRS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160586
c1(NC(=O)c2c(Cl)cnc(SCc3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-4273643326,PC-id_19119552	543.101	ZKEPMMABYVUSFK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160587
CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12)[C@H](C)c1ccc(cc1Cl)C#N	BindingDB-id_722789,BindingDB_PC-id_134166997,SCHEMBL19767337,PC-id_134166997	543.101	YBQGTCROLRCBPC-CPJLOUKISA-N	00000010100000110001000010000000000000000000000000000000	25-01-160588
C[C@H](c1c(cc(cc1)C#N)Cl)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134171024,SCHEMBL19772204	543.101	YBQGTCROLRCBPC-ZRTDVJLTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160589
CCS(=O)(=O)c1cc(c(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)Cl)C#N	SCHEMBL19772005,PC-id_134170836	543.101	CLTYLHPUESKMHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160590
N#Cc1cc(ccc1CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)S(=O)(=O)CC	SCHEMBL18367888	543.101	CLTYLHPUESKMHE-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160591
CC1CCC(C1NS(=O)(=O)C2=C3C=CCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278801	543.141	HRVOMCSZBATLOO-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-160592
CCS(=O)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)C(N(C3=O)CC4CCC(CC4)C(F)(F)F)C	PC-id_155005554	543.147	RKZFBFMTKCISDB-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-160593
C1CC2=C(C1)N(N=C2C#N)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_160817035	543.188	XLOSHLCSYMIVTM-LJQANCHMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-160594
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1C(=O)C2=CSC(=C2C1=O)COC3=CC=C(C=C3)CN4CCOCC4	PC-id_151273693	543.204	NWXMAJKODPRVDM-FQEVSTJZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160595
CC1(CN2C=CN=C2O1)COC3=CC=C(C=C3)N4CCN(CC4)CC=C(C5=CC=C(C=C5)C(F)(F)F)[N+](=O)[O-]	PC-id_154456912	543.209	VMSRJLUPBUNTIV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160596
C1CN(CCC1C2=NC(=CC=C2)OCC3=C(C=C(C=C3)C#N)F)CC4=NC5=C(N4CC6CCO6)CC(=C5)C(=O)O	PC-id_165019203	543.228	JVYLVENPLSNEJE-UHFFFAOYSA-N	00001011100010111001100010000000000000000000000000000000	25-01-160597
C1CO[C@@H]1CN2C3=C(C=C(C3)C(=O)O)N=C2CN4CCC(CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F	PC-id_165016721	543.228	JVYLVENPLSNEJE-QHCPKHFHSA-N	00001011100010111001100010000000000000000000000000000000	25-01-160598
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COC3=CC=C(C=C3)CCN4CCOCC4	PC-id_149680339	543.24	APANCGKHSRGFBW-QHCPKHFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160599
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOCC3)C(=NN2C(=O)O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C	PC-id_154963559	543.244	ZCYLWUBWPIXMKH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160600
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2C(=O)O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C	PC-id_154963557	543.244	ZCYLWUBWPIXMKH-LJQANCHMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160601
CC1(c2c(CN1C(=O)C1CCN(CC1)C)c(n[nH]2)Nc1cc(ccc1)NC(=O)C1CC=C(C=C1)NC(=O)C=C)C	PC-id_163601743	543.296	GYFXRSSTTQDCIK-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-160602
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=C3CN(C(C3=NN2C)(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942124	543.296	IHVAPLUOELBNIX-QQRRWSATSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160603
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=NN(C3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4)C	PC-id_164942104	543.296	BMWOXKMLDZRSGX-QQRRWSATSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160604
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN([C@@H]3C(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942111	543.296	KFIBCPDXPZCXQG-HHSGHEHSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160605
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN([C@H]3C(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4	PC-id_164942148	543.296	KFIBCPDXPZCXQG-BZMJBVFBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160606
C(F)(F)(C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(F)(F)C(F)(F)C(F)(F)F	PC-id_19177859,MCULE-3235679776	543.3	DTJKYUASTGCEME-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160607
c1(NC(=O)COc2cccc(c2)NC(=O)c2ccc(cc2)I)sc2c(CCC2)c1C#N	MCULE-8081716153,EMOLS-id_323169437	543.377	GNDSAKGTTBPQCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160608
F[C@@H]1Cc2n(C1)c(c(c2C(=O)C(=O)NC1(CC(C1)(F)F)C1=CN[NH2+]1)C)C(=O)Nc1ccnc(c1F)C(F)F	PC-id_142295163	543.442	BWUDJPIXMXCDTE-SNVBAGLBSA-O	00001110100000101001100010000000000000000000000000000000	25-01-160609
CCCC[Sn](c1sc2c(c1)CC(C2)O[Si](C(C)(C)C)(C)C)(CCCC)CCCC	SCHEMBL7579986,PC-id_70135820	543.5	LUOLDUSZRQTLIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160610
NC1SC=C(N1)/C(=N/OC1(CC1)C(=O)O)/C(=O)NC1C(=O)N(C1Cn1nc2c(n1)CNC2)S(=O)(=O)O	PC-id_139321713,SCHEMBL21167948	543.534	JDNJNWANBNVKGY-MYKKPKGFSA-N	00101011100000000001000010000000000000000000000000000000	25-01-160611
FC(F)(F)c1ccc(/C=C/CN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_11410162,SCHEMBL1077638	543.538	VUKHQGOCWIHKJU-NSCUHMNNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160612
FC(F)(F)c1ccc(C=CCN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274728	543.538	VUKHQGOCWIHKJU-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160613
FC(F)(F)c1ccc(C=CCN2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274747	543.538	VUKHQGOCWIHKJU-SANMLTNESA-N	00000010100010110001100010000000000000000000000000000000	25-01-160614
FC(F)(F)c1ccc(/C=C/CN2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1077643,PC-id_11180289	543.538	VUKHQGOCWIHKJU-HPHQOREJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160615
FC(F)(F)c1ccc(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1077645,PC-id_66898317	543.538	VUKHQGOCWIHKJU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160616
FC(F)(F)c1ccc(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2091260,PC-id_11421386	543.538	VUKHQGOCWIHKJU-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160617
FC(F)(F)c1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_5278865	543.538	OKKGWLYTTFOQAK-CKUSHTOWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160618
FC(F)(F)c1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_78381713	543.538	OKKGWLYTTFOQAK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160619
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C	PC-id_57703856,SCHEMBL4278011	543.572	UKPMJQAIFHRGLM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160620
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4nnc(o4)C(F)(F)F)Cc3s2)cc1	PC-id_145713302,BindingDB-id_722728,BindingDB_PC-id_145713302	543.582	WKPCHGNEBSNFBU-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-160621
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)[C@H]2NCCC2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524112	543.585	GRAKQRMUQNFNTJ-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160622
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-5765218104	543.59	MAFYVRSEDFPHRL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160623
OCCN1CCN(C1=O)c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C	SCHEMBL17080633,PC-id_118368904	543.592	JRGZKHZDDOGZDV-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-160624
OCCN1CCN(C1=O)c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CCC(S(=O)(=O)C)(C(=O)NO)C	SCHEMBL17080634,PC-id_118368905	543.592	JRGZKHZDDOGZDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160625
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CNC(=O)OC1CNC1)C	SCHEMBL18587855	543.592	VMUVOGUYYSHMMK-RUZDIDTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-160626
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CNC(=O)OC1CNC1)C	SCHEMBL18587856	543.592	VMUVOGUYYSHMMK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160627
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCC2	PC-id_121043498	543.612	HSSACBDDOFTITR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160629
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCC2	PC-id_121045516	543.612	WFPYPGIFXWJRQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160630
C=CCON=C(C(=O)NC1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cc2c(n1C)CCC2)c1csc(n1)N	PC-id_141549411	543.618	TVAOMAVGNUNHPW-FBLFFUNLSA-N	00001010100011000001001010000000000000000000000000000000	25-01-160631
CN(C)S(=O)(=O)n1cc(nc1)C[C@H](CN1C(=O)c2cc(c(n2C1=O)Br)Br)Cl	PC-id_135015288	543.618	MTSSXJZPUCLOJK-MRVPVSSYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-160632
CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1c[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_118014574,SCHEMBL16641941	543.629	BGNWNHCRRQOFOQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160633
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCC2CCCNC2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524088	543.629	IRRWNKFZMXSIKQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160634
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1ccc(F)cc1	PC-id_44053732	543.633	JEOYKHURILQRIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160635
CCCNC(C(=O)CNC(=O)CNC(=O)CNC(=O)CS)Oc1ccc(cc1)C(=O)c1ccc2n1CCC2	PC-id_141677097	543.635	BBKJWGUNRKHKGQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160636
SCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCCOc1ccc(cc1)C(=O)c1ccc2n1CCC2	PC-id_140877131	543.635	HJCXDQRIZWEDOG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160637
OCc1c(cccc1c1nc(N)nc(n1)Nc1ccc(cc1)N1CCOCC1)NC(=O)c1sc2c(c1)CCC2	SCHEMBL16347132,PC-id_117780698	543.64	DSEGIPKRVQQJIE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160638
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)OC)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-3051363072,PC-id_4278336,EMOLS-id_16381957	543.658	AIJAGIOKBXYITF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160639
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3OC)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-8408123000,EMOLS-id_16381977,PC-id_3364422	543.658	RHPZKVOXZUDJSW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160640
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_16381971,PC-id_4185086,MCULE-2898215501	543.658	WYLPFSZONPGMOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160641
c1(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-4826488232,EMOLS-id_16381965,PC-id_4055303	543.658	PREXCJFIYPWWTD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160642
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-6026713956,PC-id_5068584,EMOLS-id_16381905,CoCoCo_2661241	543.658	ODTDWALHQGBTQW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160643
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662415,PC-id_98229436	543.658	WYLPFSZONPGMOH-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160644
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662416,PC-id_98229437	543.658	WYLPFSZONPGMOH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160645
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	CoCoCo_2662556,PC-id_98229453	543.658	RHPZKVOXZUDJSW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160646
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_98229451,CoCoCo_2662555	543.658	RHPZKVOXZUDJSW-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160647
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98359543,CoCoCo_2661833	543.658	AIJAGIOKBXYITF-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160648
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98359544,CoCoCo_2661834	543.658	AIJAGIOKBXYITF-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160649
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662107,PC-id_98229415	543.658	PREXCJFIYPWWTD-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160650
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662108,PC-id_98229416	543.658	PREXCJFIYPWWTD-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160651
Cc1ccc(cc1)S(=O)(=O)n1c(cc2c1C(=O)[C@@H]([C@H]2C(C)C)C(=O)OC)CCCCCC=CCOC(=O)C	PC-id_135022166	543.672	MJXXFUZCNXRUCT-IZZNHLLZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160652
S(=O)(=O)(n1c2c(C(C(C2=O)C(=O)OC)C(C)C)cc1CCCCCC=CCOC(=O)C)c1ccc(cc1)C	PC-id_74404034	543.672	MJXXFUZCNXRUCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160653
S(=O)(=O)(n1c2c([C@@H]([C@H](C2=O)C(=O)OC)C(C)C)cc1CCCCC/C=C/COC(=O)C)c1ccc(cc1)C	PC-id_25191162	543.672	MJXXFUZCNXRUCT-ASUJBEHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160654
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(cc(c1)OC)OC	PC-id_134170964,SCHEMBL19772137	543.698	YZEXVRXYNRZGSN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160655
COc1cc(CN2Cc3c([C@H]2C(C)C)nc(s3)NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc(c1)OC	SCHEMBL18378744	543.698	YZEXVRXYNRZGSN-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160656
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(C)ccc(c1F)C	PC-id_140882949	543.706	LEMBRWSPQOPEKM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160657
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1CC	PC-id_140883026	543.706	WGDJPKARIXPQQU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160658
CCCC(=O)OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_145072773	543.721	INPSMQKZWPBUTL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160659
CCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537476	543.721	INPSMQKZWPBUTL-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160660
O=C(C(C)C)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19536356	543.721	GPSRLEUGOAFJAU-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160661
CCC(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(CC)O	SCHEMBL19536463	543.764	ALMBGFOOKUOVPH-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160662
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20172249	543.86	PVWXKZUSGIGPLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160663
Ic1sc(c2c1C(=O)C(C2=O)(C)I)I	SCHEMBL18950190	543.887	OVKAVQWSLLQLFX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160664
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)OC(Cl)(Cl)Cl	SCHEMBL19537524	543.892	ARSQLERHYWOAHM-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-160665
Clc1ccc(cc1)C(N1C[C@@H]([C@H]1C)NS(=O)(=O)c1c(Cl)nc2n1CCS2)c1ccc(cc1)Cl	PC-id_71209657,SCHEMBL14579333	543.917	LSYCDUWOUVBHHI-ACJLOTCBSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160666
Clc1nc2SCCn2c1S(=O)(=O)NC1C(N(C1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C	PC-id_78036941	543.917	LSYCDUWOUVBHHI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160667
Clc1c(COc2ccc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(F)ccc1	PC-id_19658613	543.994	CSKXGSVIEFBSKL-VFLNYLIXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160668
Clc1c(COc2ccc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(F)ccc1	PC-id_73633115	543.994	CSKXGSVIEFBSKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160669
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)c(F)ccc1	PC-id_4450173	543.994	FEYGLYUTKRSLCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160670
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)c(F)ccc1	PC-id_9671178	543.994	FEYGLYUTKRSLCF-AMVVHIIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-160671
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(C#N)c(Cl)c4)Cc3s2)nc1	BindingDB_PC-id_145713368,PC-id_145713368,BindingDB-id_722808	544.089	XSXHKFPZANXGOS-XMMPIXPASA-N	00000010100000111001000010000000000000000000000000000000	25-01-160672
CC1=C(N2CC(CC2=C1C(=O)C(=O)NC3(CC(C3)(F)F)C(=CN)N)F)C(=O)NC4=C(C(=NC=C4)C(F)F)F	PC-id_148940037	544.166	PNSGQOIKWLJXJB-UHFFFAOYSA-N	00001010100000101000000010000000000000000000000000000000	25-01-160673
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)NCCN(C)C	PC-id_164942145	544.291	XBWLMZGKCQEZSH-SOFGYWHQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160674
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1Br)c1ccccc1)C(=O)OC	MCULE-8816921433,PC-id_19171046	544.414	GAHMWUQQEJKNCI-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-160675
CC(c1ccc(c(c1)F)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18739975	544.421	PXJJYPAGYBJECZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160676
C[C@@H](c1ccc(c(c1)F)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18739972	544.421	PXJJYPAGYBJECZ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160677
Fc1cc(CN2CCn3c2c(C(=O)NC(c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740162	544.421	BIVLSWZTVNVJCN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160678
Fc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740160	544.421	BIVLSWZTVNVJCN-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160679
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NC(c1ccc(c(c1)F)C(=O)O)C	SCHEMBL18740178	544.421	FMWJHSGDYKEBBQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160680
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)N[C@H](c1ccc(c(c1)F)C(=O)O)C	SCHEMBL18740176	544.421	FMWJHSGDYKEBBQ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160681
OC(=O)c1ccc(c(c1)F)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18740073	544.421	XOLNFUWTEZZPFH-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160682
OC(=O)c1ccc(c(c1)F)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740263	544.421	LRSVACIQVCUJCG-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160683
OC(=O)c1ccc(c(c1)F)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18740075	544.421	XOLNFUWTEZZPFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160684
OC(=O)c1ccc(c(c1)F)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740265	544.421	LRSVACIQVCUJCG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160685
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)N1CCN(CC1)CC=Cc1cc(c(cc1)Cl)Cl	SCHEMBL2089019,PC-id_87333308	544.43	ZLAZYLOYDFPRCU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160686
Clc1cc(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	PC-id_5278874,SCHEMBL2089014	544.43	ZLAZYLOYDFPRCU-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160687
Clc1cc(C=CCN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	PC-id_6321019	544.43	ZLAZYLOYDFPRCU-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160688
Clc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1Cl	PC-id_5278877	544.43	DMPDGQTXXOEWQB-MLQZBXHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160689
Clc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1Cl	PC-id_78381724	544.43	DMPDGQTXXOEWQB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160690
Clc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(Cl)c1	PC-id_5278869	544.43	KAELUUYJJMWARG-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160691
Clc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(Cl)c1	PC-id_78381717	544.43	KAELUUYJJMWARG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160692
Clc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc(Cl)cc1	PC-id_5278870	544.43	YOKHRAZTOMGEJV-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160693
Clc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc(Cl)cc1	PC-id_78381718	544.43	YOKHRAZTOMGEJV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160694
Clc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)c(Cl)ccc1	PC-id_5278866	544.43	NXZSQHJDKFGCLU-OQECSOMKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160695
Clc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)c(Cl)ccc1	PC-id_78381714	544.43	NXZSQHJDKFGCLU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160696
c1(NC(=O)COc2cccc(c2)NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c(CCC2)c1C#N	EMOLS-id_323223147,MCULE-1309196149	544.45	CAQNLYHUOWRTCQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160697
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-6674458642	544.578	RDVRDPWWDQQMRS-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160714
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/N)/N)F)C(=O)Nc1c(c(ncc1)C(F)F)F	SCHEMBL19920522,PC-id_134302811	544.45	PNSGQOIKWLJXJB-YNHMVAKQSA-N	00001010100000101000000010000000000000000000000000000000	25-01-160698
FC(F)(C(=O)C1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)c1c(cc(F)cc1)C	PC-id_46180996	544.522	NMLXMOJJLNHQRY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160699
FC(F)(C(=O)C1CCN(CC1)c1ccc(OC[C@@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)c1c(cc(F)cc1)C	PC-id_46180997	544.522	NMLXMOJJLNHQRY-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160700
Fc1cc(C[C@H](NC(=O)CC2CCc3[nH]nc(c23)C#N)c2ncccc2c2cc(c(F)cc2)C(=O)N)cc(F)c1	PC-id_71185340,SCHEMBL14485050	544.527	XNHUFYBIMALGEQ-UCSBTNPJSA-N	00000010100000111001100010000000000000000000000000000000	25-01-160701
Fc1cc(C[C@H](NC(=O)Cn2nc(c3c2CCC3)C#N)c2ncccc2c2cc(c(F)cc2)C(=O)N)cc(F)c1	SCHEMBL14555381,PC-id_71204364	544.527	QCNUPHCHCHSCFH-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-160702
Fc1cc(CC(NC(=O)Cn2nc(c3c2CCC3)C#N)c2ncccc2c2cc(c(F)cc2)C(=O)N)cc(F)c1	PC-id_78035715,SCHEMBL15708709	544.527	QCNUPHCHCHSCFH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-160703
CCCCOc1ccc(cc1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758604	544.565	LDGNVPLHMARFLS-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160704
COCCCc1ccc(cc1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL21081542,PC-id_138705380	544.565	RCKJUFFXPXTWFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160705
c1(NC(=O)CSc2nc(c3ccc(c(OC)c3)OC)cc(C(F)(F)F)c2C#N)sc2c(CCC2)c1C#N	CoCoCo_6930168,EMOLS-id_4528339,PC-id_1773720,ZINC22_8451157,STOCK3S-76501,MCULE-3246690854,SPECS-id_AM-807/14147830	544.569	KCUJRRBLYUYECI-UHFFFAOYSA-N	00000010100000111000100010000000000000000000000000000000	25-01-160706
O=C([C@@H]1CCCN1)Nc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373657,PC-id_57749877	544.574	WLHPPHAGIDICDR-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160707
CC(=O)O[C@H]([C@H](C(=O)N1Cc2c(C1)cnn2C)OC(=O)C)C(=O)NCC1CCN(CC1)c1ccc(cc1N)F	PC-id_70329750,SCHEMBL8274740	544.575	BNMKXZGTMIFUQA-DNQXCXABSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160708
Fc1cc(N)c(N2CCC(CC2)CNC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)N2Cc3n(ncc3C2)C)cc1	PC-id_77825440	544.575	BNMKXZGTMIFUQA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160709
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC(OC1=O)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485295,PC-id_135315768	544.577	QHODBCAGMQJRFW-UIDYPRJRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160710
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC(OC1=O)CO)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485296,PC-id_135315769	544.577	QHODBCAGMQJRFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160711
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)COC(=O)N1CC(C1)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315294,SCHEMBL20484739	544.577	WVOTUXISBBBEHH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160712
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)COC(=O)N1CC(C1)O)C	PC-id_140904878	544.577	WVOTUXISBBBEHH-RUZDIDTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-160713
n12nc(nc1sc(=Cc1ccc(c3ccccc3N(=O)=O)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-8281528509	544.578	RZKOURUMDFAEQJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-160715
COc1cc(C)c(c(c1)C)S(=O)(=O)N1CCCCC1COCC(=O)N1Cc2c(C1)c(nn2C)C(F)(F)F	SCHEMBL4349516,PC-id_44252128	544.587	XZKBKKYFVGYLMW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160716
C=COC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030756,SCHEMBL1433876	544.602	LTKSKQUZQMQARF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160717
C=COC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433873,PC-id_67030753	544.602	LTKSKQUZQMQARF-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-160718
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22699770,PC-id_4147417,MCULE-8615855050,CoCoCo_2661099	544.603	UFAGOTKYNFIVKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160719
Cc1cc(C(=O)[C@@H](C)OC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)c(C)n1c1ccc(OC(F)F)cc1	CoCoCo_2879750,ZINC22_3433717	544.61	KJUMSVCOJOOFNL-QGZVFWFLSA-N	00000010110000110000100010000000000000000000000000000000	25-01-160720
Cc1cc(C(=O)[C@H](C)OC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)c(C)n1c1ccc(OC(F)F)cc1	ZINC22_3433720,CoCoCo_2879749	544.61	KJUMSVCOJOOFNL-KRWDZBQOSA-N	00000010110000110000100010000000000000000000000000000000	25-01-160721
FC(Oc1ccc(cc1)n1c(C)cc(c1C)C(=O)C(OC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2)C)F	EMOLS-id_43710079,MCULE-2248387629,PC-id_4833172	544.61	KJUMSVCOJOOFNL-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-160722
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(CNC2CCOCC2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524044	544.613	MZIISGJQGMRDQJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160723
CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL4282000,PC-id_68985304	544.617	ALZFJEDLNROGRJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160724
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NCC1CCCNC1	PC-id_57749895,SCHEMBL1371055	544.617	XGBDNQQJOSYGHV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160725
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccnc1NCC1CCCCC1	PC-id_143485314	544.617	YUMZRJKKEONICQ-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-160726
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(N)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524039	544.617	TUGZERZELIGLDE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160727
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1F)N1CCN(CC1)C)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_57703854,SCHEMBL4287277	544.618	HBIAVVFQIFECQU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160728
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)N(C(=O)c1cccc(c1)F)N1CCN(CC1)C	PC-id_140537206	544.618	IJSXNULNVRUEBZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160729
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(c(c1)F)N1CCN(CC1)C	PC-id_57703911,SCHEMBL13857360	544.618	GUGHKTHOGFCUMZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160730
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1cccc(c1N1CCN(CC1)C)F	SCHEMBL4291423,PC-id_68989849	544.618	MUJODTGCZRGYCQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160731
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)C(CN1CCOCC1)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484642,PC-id_135315201	544.62	DADOVPSUWNZXJZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160732
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)[C@H](CN1CCOCC1)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315200,SCHEMBL20484641	544.62	DADOVPSUWNZXJZ-JYFHCDHNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160733
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)[C@H](CN1CCOCC1)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315202,SCHEMBL20484643	544.62	DADOVPSUWNZXJZ-ZZHFZYNASA-N	00000010100010110001000010000000000000000000000000000000	25-01-160734
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)[C@@H](CN1CCOCC1)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315762,SCHEMBL20485288	544.62	DADOVPSUWNZXJZ-GEPVFLLWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160735
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)[C@@H](CN1CCOCC1)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485287,PC-id_135315761	544.62	DADOVPSUWNZXJZ-ZEQKJWHPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160736
CC(=O)N1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315866,SCHEMBL20485404	544.62	XGHPREKDSSYSEV-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-160737
CC(=O)N1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18587392	544.62	XGHPREKDSSYSEV-ANWICMFUSA-N	00001010100010000001000010000000000000000000000000000000	25-01-160738
C=CCON=C(C(=O)NC1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1cc2c(n1C)CCC2)c1csc(n1)N	PC-id_141549412	544.626	TVAOMAVGNUNHPW-FBLFFUNLSA-O	00001010100011000001001010000000000000000000000000000000	25-01-160739
FC(Oc1cccc(c1OCC(C)(C)C)/C=C/c1nc2n(c1C(=O)Nc1sc3c(n1)CCC3)ccs2)F	SCHEMBL2826340,PC-id_46833852	544.636	HVEWWSZNDCOJAM-ZHACJKMWSA-N	00000010100000110001000110000000000000000000000000000000	25-01-160740
N#Cc1cc(F)c(c(c1)F)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367967	544.636	YEKOBTCPSUQKGY-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160741
s1c2CCCc2nc1NC(=O)c1n2c(scc2)nc1C=Cc1c(OCC(C)(C)C)c(OC(F)F)ccc1	PC-id_75215767	544.636	HVEWWSZNDCOJAM-UHFFFAOYSA-N	00000010100000110001000110000000000000000000000000000000	25-01-160742
CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)sc2c1CCC2	ZINC22_408615207	544.64	NJNIDJPNKQURSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160743
CCOC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408630318	544.64	RSPPTTFUDWQTDG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160744
CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408621238	544.64	OTXRVEMJIFGUOY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160745
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408628450	544.64	XLJFJCPOKMRMNS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160746
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408629959	544.64	LGCVHERAZXXAQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160747
COC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408622736	544.64	QVZWJJBASBGMGK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160748
COC(=O)NC(C(=O)NC(c1sc2c(n1)CCC2)Cc1ccc(cc1)NS(=O)(=O)O)Cc1ccccc1	SCHEMBL3569761,PC-id_68695970	544.643	FBHDOKDDKKSQTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160749
COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1nc2CCCc2s1	BindingDB-id_708544,PC-id_57943179,BindingDB_PC-id_57943179,SCHEMBL1709806	544.643	FBHDOKDDKKSQTM-SFTDATJTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160750
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC=C)C(=O)OC	PC-id_19731390	544.643	FORQGCGNTINMDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160751
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C)NC(=O)c1ccc(cc1)N1CCN(CC1)CC	PC-id_68445146,SCHEMBL2930400	544.645	OSSPNIDOSROHLB-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160752
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C)NC(=O)c1ccc(cc1)N1CCN(C(C1)C)C	SCHEMBL2927530,PC-id_68444041	544.645	HCSYZCLWAPPELH-BPGUCPLFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160753
COC(C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)CN1CCN(CC1)CCC(=O)C)c1ccccc1	SCHEMBL21372312,PC-id_139502761	544.645	QJVJYWJZPIDFSZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160754
CO[C@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)CN1CCN(CC1)CCC(=O)C)c1ccccc1	SCHEMBL21372407,PC-id_139502848	544.645	QJVJYWJZPIDFSZ-MHZLTWQESA-N	00000010100010110001000010000000000000000000000000000000	25-01-160755
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CC(N(CC3)C)C)cc2)C(=O)OCC)C1)C(c1ccccc1)C	PC-id_21874015	544.645	HCSYZCLWAPPELH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160756
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)CC)cc2)C(=O)OCC)C1)C(c1ccccc1)C	PC-id_21874035	544.645	OSSPNIDOSROHLB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160757
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)Nc1noc(c1)CC)CCn1c(C)cc2c1CC(C2)(C)C	PC-id_138649997,SCHEMBL21018375	544.645	DPUVLUDADVDIRN-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-160758
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(CN(C)C)C	SCHEMBL18313433	544.648	WMCXSDYNICXFAU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160759
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CN(C1)CC(F)(F)F	PC-id_134170859,SCHEMBL19772029	544.653	GEWJYGZHMIIWTM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160760
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CN(C1)CC(F)(F)F	SCHEMBL18367901	544.653	GEWJYGZHMIIWTM-QFIPXVFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160761
CC(C)N1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@](C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315438,SCHEMBL20484919	544.663	MPBFBEFSEJCSNG-LFHRXCRSSA-N	00001010100010000001000010000000000000000000000000000000	25-01-160762
CC(C)N1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CCC(C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315440,SCHEMBL20484922	544.663	MPBFBEFSEJCSNG-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-160763
O=C(Nc1ccccc1OCCOc1ccccc1NC(=O)c1cc2c(s1)CCC2)c1cc2c(s1)CCC2	CoCoCo_3758394,ZINC22_3230668,EMOLS-id_2984790,PC-id_2348752,MCULE-2857605787	544.684	HSLXOTXIEYMKJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160764
CC(C)(C)c1ccc(cc1)C(=O)Nn1c2c(CN(C2)C(=O)Cc2ccc(cc2)OCCC2CN(CCN2)C)cn1	PC-id_90733668	544.688	VTQKAYLSOBVIDO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160765
CN1CCNC(C1)CCOc1ccc(cc1)CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)C(C)(C)C	SCHEMBL2921579,PC-id_10302565	544.688	PSYYKHYYNHRMFJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160766
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC1CCCN(C1)C(=O)c1ccc(cc1)N)C	PC-id_137497872,SCHEMBL20741128	544.691	KZUCRTKMAHMRHQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160767
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC1CCCN(C1)C(=O)c1ccc(cc1)N)C	PC-id_121438555,SCHEMBL17872155	544.691	KZUCRTKMAHMRHQ-XSWBTSGESA-N	00000010100010110001000010000000000000000000000000000000	25-01-160768
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)sc2c1CCC2	ZINC22_408621830	544.706	PFDKUYQHWNIQFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160769
OCC1CCN(CC1)Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(c(c1)C)C)CCC2	SCHEMBL267655,PC-id_23107464	544.708	XYBOLJGNLCVQIJ-VTNSRFBWSA-N	00000010100010110000000010000000000000000000000000000000	25-01-160770
s1c2c(CCC2)c(c1NC(=O)c1cc(CN2CCC(CC2)CO)ccc1)C(=O)NN=Cc1cc(c(cc1)C)C	PC-id_66638594	544.708	XYBOLJGNLCVQIJ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-160771
c1(NC(=O)CSc2nnc(NC(=O)c3ccc(cc3)C(C)(C)C)s2)sc2c(CCC2)c1C(=O)OCC	MCULE-8353441258,ZINC22_97986402,EMOLS-id_5479889,PC-id_18558731,CoCoCo_5021963	544.709	AAYPKODEGLULLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160772
s1c2c(CCC2)c(c1NC(=O)CCCCCCCC(=O)Nc1sc2c(CCC2)c1C(=O)NC)C(=O)NC	PC-id_16833754	544.729	DTKYJTUYMHXNBD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160773
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(c1ccccc1)COCc1ccccc1	PC-id_140817032	544.76	WDXLKHKDWRFFNU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160774
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)[C@@H](c1ccccc1)COCc1ccccc1	PC-id_141487854	544.76	WDXLKHKDWRFFNU-RUZDIDTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-160775
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)[C@H](c1ccccc1)COCc1ccccc1	PC-id_141487855	544.76	WDXLKHKDWRFFNU-VWLOTQADSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160776
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)[C@@H](c1ccccc1)COCc1ccccc1	PC-id_145072777	544.76	NGEXHFPOIIYTMR-RUZDIDTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-160777
s1c2c(CCC2)c(c1NC(=S)NCCCCOc1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(=O)OC	PC-id_19650375	544.812	VWCAWGQVNQTBFT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160778
Cc1c(n2CCCc2c1C(=O)C(=O)NC(CCF)(CCF)C(=O)NC)C(=O)Nc1c(c(c(cc1)F)Cl)F	PC-id_134605062,SCHEMBL20259634	544.926	AMXMZQCNPIZZSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160779
Cc1nn2CC[N+](c2c1C(=O)N[C@@H](C)c1ccc(cc1)C(=O)C)(Cc1cc(ccc1)I)O	PC-id_163869337	545.104	PJKQXPSJCPRDRP-AYBWSJBYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-160780
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3C)n2)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-4503436385,PC-id_19119435	545.116	UNNDKMOVCTVNNK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160781
c1(NC(=O)c2c(Cl)cnc(SCc3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_19119568,MCULE-8704578352	545.116	AWWLDGKHLKECPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160782
CC(C)C1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)NC1CC1	SCHEMBL16213613,PC-id_87056521	545.116	IQZHOBIIPVCYEC-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-160783
CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)NC3CC3)nc12	BindingDB_PC-id_87056521,BindingDB-id_722815,SCHEMBL16213612	545.116	IQZHOBIIPVCYEC-VWLOTQADSA-N	00100010100000110001000010000000000000000000000000000000	25-01-160784
CC1CCC(C1NS(=O)(=O)C2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278795	545.156	DRSIGADJAPOZCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160785
CC1=C(N2CC(CC2=C1C(=O)C(=O)NC3(CC(C3)(F)F)C(=C[NH3+])N)F)C(=O)NC4=C(C(=NC=C4)C(F)F)F	PC-id_148940036	545.173	PNSGQOIKWLJXJB-UHFFFAOYSA-O	00001010100000101000000010000000000000000000000000000000	25-01-160786
CN1CC2=C(C1)SC(=N2)C(=O)NC3C[C@H](CC(C3)N/C(=CC4=C(C=C(C=C4)Cl)N)/C(=O)N)C(=O)N(C)C	PC-id_163996820	545.198	UFKJFYQZUGWIKN-QYSOVEDHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160787
Brc1c2c(sc1Br)C(NC(=O)CN1CCN(CC1)Cc1c(F)cccc1)CC2=O	PC-id_11519887	545.263	DHUAYDVFPRXFII-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160788
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccc(F)cc1)CC2=O	PC-id_11671480	545.263	FLGDDJAANQXPPK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160789
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1cc(F)ccc1)CC2=O	PC-id_11621209	545.263	BZDOWBDICZOMFH-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160790
Fc1ccccc1CN1CCN(CC(=O)NC2CC(=O)c3c(Br)sc(Br)c23)CC1	PC-id_11505197,BindingDB_PC-id_11505197,BindingDB-id_198547	545.263	RMXOVLSQWVGRST-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160791
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC=C(C=C3)N4CCN(CC4)C)C(=N1)NC(=O)C5=CC=C(C=C5)N(C)C	PC-id_165180352	545.275	UCDSABCOJJXKBC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160792
CCOC(=O)N1C2=C(CN(C2)C(=O)C3=CC(=CC=C3)N4CCN(CC4)C)C(=N1)NC(=O)C5=CC=C(C=C5)N(C)C	PC-id_165180365	545.275	GAECWLPEQLXGGX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160793
[2H]C([2H])(C)N1C2=C(CN(C2(C)C)C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=N1)NC(=O)C4=CC=C(C=C4)NC(=O)C=C	PC-id_164941719	545.308	WIIGVKYCTIGESH-VPKNLLAGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160794
[BH2-](C(NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC1C(C(=NO)c2c1ccs2)O)O)[N+](C)(C)C	PC-id_90661698	545.502	LDWLTQWIQGDFDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160795
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4626513086,PC-id_18848833	545.52	CVEUHGKOWJPABT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160796
CCN(c1ccc(cc1)C(F)(F)F)C1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_67274632,SCHEMBL2090709	545.553	AIIJZNBXHFVFFC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160797
CCN(c1ccc(cc1)C(F)(F)F)C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL2090706,PC-id_67274630	545.553	AIIJZNBXHFVFFC-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160798
CN(C1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccccc1C(F)(F)F	PC-id_67275646,SCHEMBL2096159	545.553	PIDNTOXBYHLRSI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160799
CN(C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccccc1C(F)(F)F	SCHEMBL2096157,PC-id_5278893	545.553	PIDNTOXBYHLRSI-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160800
FC(F)(F)c1cc(CN(C2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)ccc1	PC-id_5278894	545.553	ASEGQTZALAYOAC-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160801
FC(F)(F)c1cc(CN(C2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)ccc1	PC-id_78381733	545.553	ASEGQTZALAYOAC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160802
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1CNC1CCOCC1	PC-id_57749858,SCHEMBL1373126	545.601	YEDZJCAATPADTF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160803
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCC(O)CC2)nccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524046	545.601	ZMAPDRPPILSVCQ-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-160804
CN1CCN(CC1)c1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370698,PC-id_57703910	545.605	UZUQEJPUQVUQCB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160805
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC[C@@H]([C@H](C1)F)N)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485431,PC-id_135315893	545.626	PDJVNCJRIBKVBA-JCYRPKCISA-N	00000010100010110001000010000000000000000000000000000000	25-01-160806
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC[C@@H]([C@H](C1)F)N)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485432,PC-id_135315894	545.626	PDJVNCJRIBKVBA-XAWUTYGVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160807
O=C(N1Cc2c(n(nc2CC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)C(c1ccccc1)CO	PC-id_76751091	545.629	CDBOCGRIQTVKNY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160808
O=C(N1Cc2c(n(nc2CC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)[C@@H](c1ccccc1)CO	PC-id_58270032	545.629	CDBOCGRIQTVKNY-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-160809
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1cc(c(cc1)NC(=O)C=C)OC)C	PC-id_137497864,SCHEMBL20741120	545.633	YUBZXPLVRKFGAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160810
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1c(cc(cc1)NC(=O)C=C)OC)C	PC-id_137497906,SCHEMBL20741170	545.633	NHSWRNMMVYSELY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160811
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O	PC-id_89723869,SCHEMBL15153301	545.633	WVCMQUQTARUULR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160812
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O	SCHEMBL15153302,PC-id_89723870	545.633	FHYMNLVUPQPZMH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160813
C=CC(=O)Nc1ccc(cc1OC)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121443301,SCHEMBL17877935	545.633	YUBZXPLVRKFGAH-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160814
C=CC(=O)Nc1ccc(c(c1)OC)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17877936,PC-id_121443302	545.633	NHSWRNMMVYSELY-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160815
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nc(nc(n1)N1CCCC1C(=O)N)N(C)C)C	PC-id_89796601	545.639	UVWCIQDKSYVODO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160816
CN(c1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2CC2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N)C	PC-id_68668622,SCHEMBL3504048	545.639	UVWCIQDKSYVODO-KVZIAJEVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160817
CN(c1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N)C	PC-id_68668623,SCHEMBL3504050	545.639	UVWCIQDKSYVODO-UHOSZYNNSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160818
CN(c1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)N[C@H]2C[C@@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N)C	SCHEMBL15247494	545.639	UVWCIQDKSYVODO-NEWSRXKRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160819
CN(C)c1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(n1)N1CCC[C@H]1C(=O)N	SCHEMBL12143758,PC-id_59474149,BindingDB-id_218912,BindingDB_PC-id_59474149	545.639	UVWCIQDKSYVODO-WDOSNPKHSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160820
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053731	545.649	HZYFNJSNQPHTGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160821
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4079146,MCULE-6926707020,EMOLS-id_24429390	545.674	QQGDGNSKDYGHBP-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-160822
CCCCn1c(nnc1CNC(=O)c1ccco1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229434,CoCoCo_2662328	545.674	QQGDGNSKDYGHBP-HNNXBMFYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-160823
CCCCn1c(nnc1CNC(=O)c1ccco1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229435,CoCoCo_2662327	545.674	QQGDGNSKDYGHBP-OAHLLOKOSA-N	00000010101000000001000010000000000000000000000000000000	25-01-160824
O=C(N(C1(N(C)C(=O)C)c2n(N=C1C)nc(n2)CCOc1c(cc(cc1)C)C)c1c(cc(N(CC)C)cc1)C)C	PC-id_20693945	545.676	KACATXAUDFBHDG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160825
O=C(NCC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CC)CC)cc1)C)C)C)CCCOc1ccc(OC)cc1	PC-id_18737225	545.676	HSLOXHYQNBOBRQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160826
C[C@@H]1[C@@H](CCCN1c1cnc(c(n1)Nc1cnn(c1)CC1CC1)C(=O)N)NC(=O)c1cc2c(n1C)CC(C2)(C)C	PC-id_140930271	545.679	DOTNFDZHUCXLNY-DYESRHJHSA-N	00100010100010100001100010000000000000000000000000000000	25-01-160827
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CO	SCHEMBL19537569	545.694	ZHUPZCPPNOSUIF-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160828
CCOC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19536304	545.694	OGSZQSAHIJGERM-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160829
O=C(N(C1(N(CC)CC)c2n(N=C1C)nc(n2)CCOc1c(cc(cc1)C)C)c1c(cc(N(CC)C)cc1)C)C	PC-id_20693948	545.719	ULBMUDPOVSWUOA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160830
CCN(CCNCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(c(c1)C)C)CCC2)CC	PC-id_23107830,SCHEMBL267784	545.739	YKSNCYNEHVFHCA-FMFFXOCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160831
s1c2c(CCC2)c(c1NC(=O)c1cc(CNCCN(CC)CC)ccc1)C(=O)NN=Cc1cc(c(cc1)C)C	PC-id_66638657	545.739	YKSNCYNEHVFHCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160832
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)NC(c1ccccc1)COc1ccccc1	PC-id_140817118	545.748	HENYEZFWEWEVBV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160833
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si-](C)(C)C)NC(c1ccccc1)COc1ccccc1	PC-id_145072798	545.748	RACHDVRNOBADGT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160834
CC(C)[C@H]1c2c(CN1CC1CCOCC1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(C)C1CCC1	SCHEMBL19772190,PC-id_134171010	545.757	NFCMCEXPJXUVGO-NZVRHLSZSA-N	00001010100010110001000010000000000000000000000000000000	25-01-160835
CCCCC(CN(c1cc(C)c(c(c1)C)N=C1C(=Nn2c1nc(n2)C(C)(C)C)C#N)CC(CCCC)CC)CC	SCHEMBL16124951,PC-id_117612687	545.805	UXBUIPUNSFLSME-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-160836
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	PC-id_2398839,EMOLS-id_43812124,CoCoCo_3218660,ZINC22_3283309,MCULE-1129426529	546.058	IBSZYHUQEFZEEL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160837
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44005851	546.08	KOOYPKVUBOZGGP-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-160838
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44028028	546.08	CEGVYZWNHVCOOT-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-160839
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44029146	546.08	QFUBBLSGHSAGJH-UHFFFAOYSA-N	00000010100110000000000010000000000000000000000000000000	25-01-160840
BrCCCCCCN1S(=O)(=O)c2c(S1(=O)=O)c(sc2Br)Br	SCHEMBL18326407	546.114	NDAVYFWMFFYZFI-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-160841
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1cc(C)ccc1Cl	PC-id_140882997	546.134	KKLRYTIRSQZMMU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160842
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@H](Cc1ccc(cc1)Cl)C	PC-id_134170937,SCHEMBL19772110	546.144	QMXQUNXNUJKOML-MDYZWHIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160843
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@@H](Cc1ccc(cc1)Cl)C	SCHEMBL19772198,PC-id_134171018	546.144	QMXQUNXNUJKOML-QOBPCVTDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160844
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)[C@@H](Cc1ccc(cc1)Cl)C	SCHEMBL18368027	546.144	QMXQUNXNUJKOML-DWXRJYCRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160845
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)[C@H](Cc1ccc(cc1)Cl)C	SCHEMBL18368046	546.144	QMXQUNXNUJKOML-QYBDOPJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160846
C1CN(CCC1CC(CC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-])C3=CC=C(C=C3)OC[C@@H]4CN5C=CN=C5O4	PC-id_154456916	546.209	NVZBPXUEKPSWFR-TUXUZCGSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160847
C1CN(CCC1CC(CC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-])C3=CC=C(C=C3)OC[C@H]4CN5C=CN=C5O4	PC-id_154456924	546.209	NVZBPXUEKPSWFR-NRWPOFLRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160848
CC1(CN2C=CN=C2O1)COC3=CC=C(C=C3)N4CCC(CC4)CC(C5=CC=C(C=C5)OC(F)(F)F)[N+](=O)[O-]	PC-id_154458234	546.209	LQVPHBGPWDFOEK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160849
C[C@@]1(CN2C=CN=C2O1)COC3=CC=C(C=C3)N4CCC(CC4)CC(C5=CC=C(C=C5)OC(F)(F)F)[N+](=O)[O-]	PC-id_154458375	546.209	LQVPHBGPWDFOEK-JUERFOTFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160850
CC1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)CCOC5=CC=C(C=C5)C(F)(F)F	PC-id_154456915	546.209	ZJARLEQWWXSGQX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160851
Brc1sc(Br)c2c1C(NC(=O)C(NC(=O)Oc1ccccc1)C(C)C)C(O)C2=O	PC-id_378803	546.23	VIVBQHNRIQBHIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160852
O=C(N[C@@H](C(=O)N[C@@H]1[C@@H](O)C(=O)c2c1c(Br)sc2Br)C(C)C)Oc1ccccc1	CoCoCo_5726731	546.23	VIVBQHNRIQBHIH-VNHYZAJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160853
O=C(N[C@H](C(=O)N[C@H]1[C@@H](O)C(=O)c2c1c(Br)sc2Br)C(C)C)Oc1ccccc1	CoCoCo_5726732	546.23	VIVBQHNRIQBHIH-GZBFAFLISA-N	00000010100000110000000010000000000000000000000000000000	25-01-160854
O=C(N[C@@H](C(=O)N[C@H]1[C@@H](O)C(=O)c2c1c(Br)sc2Br)C(C)C)Oc1ccccc1	CoCoCo_5726733	546.23	VIVBQHNRIQBHIH-UMVBOHGHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160855
O=C(N[C@H](C(=O)N[C@H]1[C@H](O)C(=O)c2c1c(Br)sc2Br)C(C)C)Oc1ccccc1	CoCoCo_5726734	546.23	VIVBQHNRIQBHIH-GUTXKFCHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160856
O=C(N[C@@H](C(=O)N[C@H]1[C@H](O)C(=O)c2c1c(Br)sc2Br)C(C)C)Oc1ccccc1	CoCoCo_5726735	546.23	VIVBQHNRIQBHIH-NFAWXSAZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160857
O=C(N[C@H](C(=O)N[C@@H]1[C@@H](O)C(=O)c2c1c(Br)sc2Br)C(C)C)Oc1ccccc1	CoCoCo_5726736	546.23	VIVBQHNRIQBHIH-KCQAQPDRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160858
O=C(N[C@H](C(=O)N[C@@H]1[C@H](O)C(=O)c2c1c(Br)sc2Br)C(C)C)Oc1ccccc1	CoCoCo_5726737	546.23	VIVBQHNRIQBHIH-YDHLFZDLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160859
O=C(N[C@@H](C(=O)N[C@@H]1[C@H](O)C(=O)c2c1c(Br)sc2Br)C(C)C)Oc1ccccc1	NSC662122,CoCoCo_5726738	546.23	VIVBQHNRIQBHIH-IPYPFGDCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160860
C1Cc2c(C1)sc(c2C(=O)Nc1ccccc1OC(F)(F)F)NC(=O)C(F)(F)I	PC-id_137632563	546.25	NOPPZLYTYWAODZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160861
Brc1c(n(nc1C)c1cc(S(=O)(=O)O)ccc1SOOO)N/N=C/1C(=Nn2nnnc12)C	PC-id_59071070	546.336	DZPFCWGCDDCQEF-FOWTUZBSSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160862
Brc1c(n(nc1C)c1cc(S(=O)(=O)O)ccc1SOOO)NN=C1C(=Nn2nnnc12)C	PC-id_72506965	546.336	DZPFCWGCDDCQEF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160863
Cc1nn(c(c1Br)NN=C1C(=Nn2c1nnn2)C)c1c(ccc(c1)S(=O)(=O)O)S(=O)(=O)O	PC-id_89330953	546.336	RXWLJWCEHAQADT-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160864
Clc1c(COc2ccc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_19660390	546.422	FOSCVFHEBNQLQU-KVSWJAHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160865
Clc1c(COc2ccc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_73634848	546.422	FOSCVFHEBNQLQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160866
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(=O)NCc2ccc(F)cc2)C1	PC-id_44053706	546.461	MQHCMQFYAOVFIA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160867
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2c(cccc2Cl)Cl)sc2c(CCC2)c1C(=O)OCC	MCULE-3274123780,PC-id_3536937	546.462	WKVMFMDVCYKZDN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160868
Clc1c(COc2c(OC)cc(/C=C/C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)c(Cl)ccc1	PC-id_1678411	546.462	WKVMFMDVCYKZDN-ACCUITESSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160869
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-9750205910,PC-id_18848924	546.508	SVKUZFUMQXMNKJ-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-160870
CC1Oc2n(C1COc1ccc(cc1)N1CCC(CC1)COCc1ccc(cc1)C(F)(F)F)cc(n2)[N+](=O)[O-]	SCHEMBL5013353,PC-id_69278940	546.538	ZNZURULIYMVRDX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160871
CCC(c1ccc(cc1)OC(F)(F)F)C1CCN(CC1)c1ccc(cc1)OCC1Oc2n(C1)cc(n2)[N+](=O)[O-]	PC-id_142759771	546.538	KADMFTLUEQGHDP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160872
Fc1c(OC)c(CCCC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc(F)c1F	PC-id_75164625	546.538	GCWCLWOOKFYCSU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160873
Fc1c(OC)c(CCCC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc(F)c1F	PC-id_46181150	546.538	GCWCLWOOKFYCSU-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160874
FC(F)(F)c1ccc(COCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278846,SCHEMBL1755048	546.538	HRJAORSAAHJBOO-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160875
FC(F)(F)c1ccc(COCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1754119,PC-id_11786108	546.538	HRJAORSAAHJBOO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160876
FC(F)(F)c1ccc(COCC2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1754222,PC-id_11238116	546.538	HRJAORSAAHJBOO-SANMLTNESA-N	00000010100010110001100010000000000000000000000000000000	25-01-160877
FC(F)(F)c1cc(COCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_5278901	546.538	DUMQQVAGRBKLQF-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160878
FC(F)(F)c1cc(COCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_78381736	546.538	DUMQQVAGRBKLQF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160879
FC(F)(F)Oc1ccc(CC2CCN(CC2)Cc2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274404,SCHEMBL2089582	546.538	OKNASXRCNDFNCQ-AREMUKBSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160880
FC(F)(F)Oc1ccc(CC2CCN(CC2)Cc2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274406,SCHEMBL2089585	546.538	OKNASXRCNDFNCQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160881
FC(F)(F)Oc1ccc(CCC2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66887958,SCHEMBL1047685	546.538	KXCIEFZGRDFRIN-SANMLTNESA-N	00000010100010110001100010000000000000000000000000000000	25-01-160882
FC(F)(F)Oc1ccc(CCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66887959,SCHEMBL1047686	546.538	KXCIEFZGRDFRIN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160883
FC(F)(F)Oc1ccc(CCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2094166,PC-id_67275258	546.538	KXCIEFZGRDFRIN-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160884
FC(F)(F)Oc1ccc(CCCC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1045023,PC-id_11261307	546.538	CIPSUSFFWITBFU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160885
FC(F)(F)Oc1ccc(CCCC2CCN(CC2)c2ccc(OC[C@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_11466929,SCHEMBL1046064	546.538	CIPSUSFFWITBFU-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160886
FC(F)(F)Oc1ccc(CCCC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	SCHEMBL1045021,PC-id_11489658	546.538	CIPSUSFFWITBFU-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-160887
OCCOCc1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758462	546.538	QPLKYQLWEQEQOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160888
OCCOCc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758468	546.538	QPLKYQLWEQEQOJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160889
FC(F)(F)c1ccc(OC(CCN(C(=O)C2CCn3c2ccc3C(=O)c2ccccc2)C)c2ccccc2)cc1	SCHEMBL13050332,PC-id_59581850	546.579	IJRKYFDHHSXMCU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160890
FC(F)(F)c1ccc(O[C@H](CCN(C(=O)C2CCn3c2ccc3C(=O)c2ccccc2)C)c2ccccc2)cc1	SCHEMBL12457549,PC-id_68271415	546.579	IJRKYFDHHSXMCU-BNGNXUGRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160891
CC(c1nc2n(n1)nc(/c/2=C/c1c(C)nn2c1n(C)c(n2)C(CN1C(=O)CCC1=O)C)C)CN1C(=O)CCC1=O	PC-id_58444921,SCHEMBL11974208	546.581	DELVTBYPJACLQS-YVLHZVERSA-N	00000010100000000001000110000000000000000000000000000000	25-01-160892
O=C1N(CC(c2n(c3n(n2)nc(c3C=c2c3n(nc(n3)C(CN3C(=O)CCC3=O)C)nc2C)C)C)C)C(=O)CC1	PC-id_76788027	546.581	DELVTBYPJACLQS-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-160893
CNc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	PC-id_143485313	546.589	XPXLIHLQXVPKIQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160894
OC1CCC(CC1)Nc1ncccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749878,SCHEMBL1373904	546.589	OBXVDCFVMGSIEV-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-160895
O[C@@H]1CC[C@H](CC1)Nc1ncccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL12143040	546.589	OBXVDCFVMGSIEV-QAQDUYKDSA-N	00000010100010111001000010000000000000000000000000000000	25-01-160896
OCCN(C(=O)OCc1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C)C	PC-id_140904848	546.593	PZVCVHKIMLYAJH-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-160897
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC[C@@H]([C@@H](C1)F)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315387,SCHEMBL20484854	546.611	RSFCBWDOLXZWEI-DBRKUKIDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160898
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC[C@@H]([C@H](C1)F)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484755,PC-id_135315308	546.611	RSFCBWDOLXZWEI-JCYRPKCISA-N	00000010100010110001000010000000000000000000000000000000	25-01-160899
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC[C@@H]([C@@H](C1)F)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484851,PC-id_135315385	546.611	RSFCBWDOLXZWEI-MVERNJQCSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160900
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC[C@@H]([C@H](C1)F)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484934,PC-id_135315451	546.611	RSFCBWDOLXZWEI-XAWUTYGVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160901
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)N(C(=O)C1CC1)C(=O)C1CC1)O	PC-id_137355459,SCHEMBL20579921	546.613	QIMWZSJLUYZGLR-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-160902
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)N(C(=O)C1CC1)C(=O)C1CC1)O	SCHEMBL20579920,PC-id_137355458	546.613	QIMWZSJLUYZGLR-QGZVFWFLSA-N	00100010100000110000000010000000000000000000000000000000	25-01-160903
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)c1c(Cl)cccc1)CC2=O	PC-id_24205883	547.691	PWBXOHCPUVCBJD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161007
OCC(=O)C(N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)c1ccccc1	PC-id_57791760,SCHEMBL13786616	546.614	GTVQRAVSSFMXRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160904
OCC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)c1ccccc1	SCHEMBL13786607,PC-id_57791621	546.614	PGWLXTOBJOWAGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160905
CCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_21874010,SCHEMBL1434388	546.617	FVOGNNMEGMUHPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160906
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)CO)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL12674067,PC-id_68346902	546.617	NYZOATZXEBQKLI-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-160907
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_11994313,SCHEMBL1434387	546.617	FVOGNNMEGMUHPZ-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-160908
O([C@H](C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)c1ccccc1)C	PC-id_11994440	546.617	FVOGNNMEGMUHPZ-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160909
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)C(c1ccccc1)CO	PC-id_77486893	546.617	NYZOATZXEBQKLI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160910
CNC(=O)[C@@H]1CCCN1c1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(OC)n1	BindingDB_PC-id_68668657,PC-id_68668657,BindingDB-id_218907,SCHEMBL3504169	546.624	VXZYDTWAWCETNV-KVZIAJEVSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160911
CNC(=O)[C@@H]1CCCN1c1nc(nc(n1)OC)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	PC-id_59474183,SCHEMBL12143733	546.624	VXZYDTWAWCETNV-WDOSNPKHSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160912
CNC(=O)[C@@H]1CCCN1c1nc(nc(n1)OC)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1	PC-id_11548441,SCHEMBL15247495	546.624	VXZYDTWAWCETNV-NEWSRXKRSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160913
CNC(=O)[C@@H]1CCCN1c1nc(nc(n1)OC)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1	SCHEMBL3504171,PC-id_68668659	546.624	VXZYDTWAWCETNV-UHOSZYNNSA-N	00100010100000110001100010000000000000000000000000000000	25-01-160914
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(O1)C(F)(F)F	PC-id_134170899,SCHEMBL19772071	546.626	AUQHMVYBHFYBQG-SBGRQLAYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-160915
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CCC(O1)C(F)(F)F	SCHEMBL19771864,PC-id_134170697	546.626	AUQHMVYBHFYBQG-AZOSJMHDSA-N	00000010100000101001000010000000000000000000000000000000	25-01-160916
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CC[C@H](O1)C(F)(F)F	SCHEMBL18367872	546.626	AUQHMVYBHFYBQG-YWMUFLPLSA-N	00000010100000101001000010000000000000000000000000000000	25-01-160917
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](O1)C(F)(F)F	SCHEMBL18367877	546.626	AUQHMVYBHFYBQG-KLHJMIIUSA-N	00000010100000101001000010000000000000000000000000000000	25-01-160918
CCOC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OCC)cc2)sc2c1CCC2	ZINC22_408614394	546.631	BSLIPOSLSMPAPE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160919
CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC22_408629869	546.631	JLDDXPXBPVHCSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160920
CCN(c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)CCN(C)C	SCHEMBL13857377,PC-id_71013925	546.632	PFRRQVSKVFUANF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160921
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)C(CN(C)CCOC)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315364,SCHEMBL20484824	546.636	BQDVVFUWQPYUQK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160922
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CCO)(C(=O)NOC1CCCCO1)S(=O)(=O)C	SCHEMBL20484953,PC-id_135315467	546.636	RKHFHENKEOWLPL-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-160923
COCCN(CC(c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NO)C)O)C	SCHEMBL18587796	546.636	BQDVVFUWQPYUQK-ANWICMFUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160924
OCCN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC1CCCCO1)C	SCHEMBL18588162	546.636	RKHFHENKEOWLPL-ANWICMFUSA-N	00001010100010000001000010000000000000000000000000000000	25-01-160925
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)N(CC1C)CC1(O)CCOCC1)F	SCHEMBL20503307,PC-id_77528778	546.637	BDPHYFRKWGZAIU-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-160926
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CC(C)N(C[C@@H]1C)CC1(O)CCOCC1)F	SCHEMBL16872509,PC-id_118205627	546.637	BDPHYFRKWGZAIU-DJNXLDHESA-N	00000010100010100001000010000000000000000000000000000000	25-01-160927
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@H]1C)CC1(O)CCOCC1)F	PC-id_118205628,SCHEMBL16872510	546.637	BDPHYFRKWGZAIU-IAGOWNOFSA-N	00000010100010100001000010000000000000000000000000000000	25-01-160928
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@H](C)N(C[C@@H]1C)CC1(O)CCOCC1)F	SCHEMBL20503393,PC-id_135331974	546.637	BDPHYFRKWGZAIU-IRXDYDNUSA-N	00000010100010100001000010000000000000000000000000000000	25-01-160929
CCOc1ncc(c(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CC1(O)CCOCC1)F	SCHEMBL3325719,PC-id_68596683	546.637	BDPHYFRKWGZAIU-SJORKVTESA-N	00000010100010100001000010000000000000000000000000000000	25-01-160930
COC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408622861	546.657	WKVYGGMVHIDCCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160931
COC(=O)c1c(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)sc2c1CCC2	ZINC22_408617779	546.657	JQUBUJWQHWZZCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160932
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC)C(=O)OCC	PC-id_19731283	546.659	JAMQEXOYCNTSTP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160933
OCC1CCN(CC1)Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(cc1)OC)CCC2	SCHEMBL265725,PC-id_23108060	546.68	BNKXSEBDGUMEOH-KBVAKVRCSA-N	00000010100010110000000010000000000000000000000000000000	25-01-160934
s1c2c(CCC2)c(c1NC(=O)c1cc(CN2CCC(CC2)CO)ccc1)C(=O)NN=Cc1ccc(OC)cc1	PC-id_66637555	546.68	BNKXSEBDGUMEOH-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-160935
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(OCC)cc2)nn1)C)C(=O)OCC	PC-id_23941021	546.682	IRODLMWGWIBBIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160936
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(OC(C)C)cc2)nn1)C(=O)OCC	PC-id_23829348	546.682	WSZUCUDCKJSFDG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160937
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(OCC)cccc2)nn1)C)C(=O)OCC	PC-id_23934604	546.682	VRYORQPLXDRCAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160938
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)Cc2ccc(OC)cc2)nn1)C)C(=O)OCC	PC-id_23877652	546.682	LRECZRACWYJYJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160939
s1c2c(CCC2)c(c1NC(=O)CCCCCCCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_4175072	546.699	PADIHVLWNIFRBP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160940
s1c2c(CCC2)c(c1NC(=O)CC(CC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)(C)C)C(=O)OCC	PC-id_3780633	546.699	JRHOJITZJOIOKC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160941
S(=O)(=O)(CC(CC(=O)O)c1ccccc1)c1ccc(CCc2cc(Nc3sc4CCCc4n3)ccc2)cc1	PC-id_10289635	546.7	ONCQAUPXUGWZFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160942
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CCc1ccccc1)c1ccccc1)C(=O)OCC	PC-id_17047341	546.704	QCULEMDFKIMRFT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160943
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC1CCCN(C1)C(c1ccc(cc1)N)O)C	SCHEMBL20754647,PC-id_137509798	546.707	LYOVLNFXVQZIAG-XSGAYFKKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160944
COC(OC(c1ccccc1)COC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(C)C	SCHEMBL19537501	546.722	KCPHOIHOPJDSSX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160945
COC(OC[C@H](c1ccccc1)OC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)(C)C	SCHEMBL19537128	546.722	LEQIIDICGINTNV-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-160946
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)CC)C(=O)OCC	PC-id_19718283	546.725	AXGVXGUHVZWQMX-UHFFFAOYSA-N	00000010100100000001100010000000000000000000000000000000	25-01-160947
CCOC(=O)c1c(NCCCCCCCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)sc2c1CCC2	EMOLS-id_48985822,MCULE-8981482537,ZINC22_96021982,PC-id_3887770,CoCoCo_3794243	546.742	WAFIVQBUCGLPCP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-160948
CC(C)[C@H]1c2c(CN1CC1CNCCO1)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CCC1CCC1	SCHEMBL19772026,PC-id_134170856	546.745	ZPIRSZVXDRTUIG-QBGQUKIHSA-N	00001010100010110001000010000000000000000000000000000000	25-01-160949
[O-]C(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2sc3c(n2)CCC3)CCc2ccccc2C(O)(C)C)CC1	GD-id_ZINC29390105	546.763	QOEXKMGAAOGXMD-NCJIYNIUSA-M	00100010100000110001000010000000000000000000000000000000	25-01-160950
CCN(C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)c1sc2c(n1)CN(C2)C)NC(=O)C(=O)Nc1ccc(cc1)Cl)C	PC-id_59676924,SCHEMBL12036378	547.069	SZRPFRUALZGYLC-JCGIZDLHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160951
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(CC)C)cc1	PC-id_72355327	547.069	SZRPFRUALZGYLC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160952
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)NCCC)cc1	PC-id_77501685	547.069	JZBHJQRRFCCPRR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160953
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)NCCC)cc1	PC-id_68449395	547.069	JZBHJQRRFCCPRR-JCGIZDLHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160954
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408630948	547.086	YHYOUPKXPOTZBL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160955
CCOC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408616694	547.086	HLZKPSPDFZROFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160956
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408629436	547.086	BDSCPGJMNIGDMP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160957
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408619411	547.086	MHLRXOASMBOCRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160958
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408616020	547.086	FAXWWQNKEKCBPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160959
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1)C	PC-id_17265318	547.089	IUGKFPARRQPIOA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160960
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1)C	PC-id_19634357	547.089	PGTJEAUWLKFEKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160961
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1C)C	PC-id_19634701	547.089	FFZASBLABUAABD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160962
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)cc1)C	PC-id_19641272	547.089	ATBDHXNCKVWNFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160963
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)cc1)C	PC-id_20122426	547.089	XXPFAXHRPSQQKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160964
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)ccc1	PC-id_20122795	547.089	DPCFXVOSMBGKRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160965
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc(cc1)C	PC-id_21164132	547.089	DXNZHBFNDCSIEA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160966
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)cccc1	PC-id_19638756	547.089	YPDCKXRHNXGNNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160967
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)cc(cc1)C	PC-id_17268882	547.089	DIFMBKZPXBSJKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160968
CCCCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nnc1c1ccc(Cl)cc1	CoCoCo_3004010,MCULE-8245443482,ZINC22_102973367,EMOLS-id_43752581,PC-id_5114850	547.132	FYGXGXACDCCBDU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160969
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@H]1C[C@H](c2c1n(nc2)C)CNc1c(c(ncn1)Cl)N	PC-id_134970995	547.166	CPAMBKHIDUHYED-LEWJYISDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160970
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1ccc(cc1Br)Br)C(=O)OC	EMOLS-id_1852135,PC-id_2787430,STOCK2S-56668,MCULE-6034700543	547.214	QDWAIHNCVZFRCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160971
O=C(N[C@H]1CC(=O)c2c1c(Br)sc2Br)CN1CCN(CC1)c1ccccc1Cl	NSC737072	547.691	PWBXOHCPUVCBJD-LBPRGKRZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161008
COC(=O)c1c(NC(=O)COc2ccc(Br)cc2Br)sc2c1[C@H](C(=O)OC)CC2	CoCoCo_1708434,PC-id_6995208,ZINC22_3959321	547.214	QDWAIHNCVZFRCT-SNVBAGLBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160972
COC(=O)c1c(NC(=O)COc2ccc(Br)cc2Br)sc2c1[C@@H](C(=O)OC)CC2	ZINC22_1744143,CoCoCo_1708435,PC-id_1553455	547.214	QDWAIHNCVZFRCT-JTQLQIEISA-N	00000010100000110000000010000000000000000000000000000000	25-01-160973
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COC3=C(C=C(C=C3)CN4CCOCC4)F	PC-id_151987149	547.215	UDXAEAWHVUIWNU-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160974
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(SC=C2C1=O)COC3=CC(=C(C=C3)CN4CCOCC4)F	PC-id_152185092	547.215	VSBRZOZGXGECKY-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160975
OC1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12	PC-id_25074127,BindingDB_PC-id_25074127,BindingDB-id_198549	547.279	NRCUTDVDQNMWJN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-160976
Clc1cc(COCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	PC-id_5278903	547.43	YZSZHMUIAABWDE-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160977
Clc1cc(COCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	PC-id_78381738	547.43	YZSZHMUIAABWDE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160978
CCOC(=O)c1c(C)nn(c1NC(=O)c1cc2CCCc2n1Cc1ccccc1)c1ccc(Br)cc1	MCULE-7298245521,EMOLS-id_328223867	547.443	CRWDFCDPCGLGDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160979
Cc1c(n2C[C@@H]([C@@H](c2c1)Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)O)F)C(=O)Nc1cc(c(cc1)F)F)F)C(=O)O	PC-id_134285023,SCHEMBL19900705	547.455	PRPLAAYOMLYUIK-ZUCKAHLUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-160980
FC(F)(F)Oc1ccc(C(=O)N2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_23081399,SCHEMBL5539481	547.483	BXOILMAPQXFTAU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160981
FC(F)(F)Oc1ccc(C(=O)N2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5539475,PC-id_69480550	547.483	BXOILMAPQXFTAU-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-160982
Brc1ccc(c2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_17047705	547.488	LEKQEINWJYUKIT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160983
Brc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_19729475	547.488	YGXORVRRRYIKGP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-160984
CN(c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C1CCN(CC1)c1ccc(cc1)OC(F)(F)F	PC-id_67274391,SCHEMBL2089522	547.526	YVSDNTISIYHTRM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160985
CN(c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C1CCN(CC1)c1ccc(cc1)OC(F)(F)F	SCHEMBL2089518,PC-id_5278852	547.526	YVSDNTISIYHTRM-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-160986
FC(F)(F)Oc1ccc(N(C2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_5278890	547.526	TUKOXSIRRJQVPE-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-160987
FC(F)(F)Oc1ccc(N(C2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_78381732	547.526	TUKOXSIRRJQVPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160988
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)ccc(c1F)C	PC-id_140882967	547.67	DUUGAWXRWAPKAX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161006
COCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CC(F)(F)C3)c3nncs3)n3CCCc23)ccc1F	PC-id_139525404,BindingDB-id_980753,SCHEMBL21398699	547.549	RKNKUMNGEPIXRI-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-160989
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)c(C(O)(C)C)cn4)C)cc2)cc1	PC-id_45101072	547.566	WFYFZMYFUWUJEG-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160990
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)c(C(O)(C)C)cn4)C)cc2)cc1	PC-id_75089976	547.566	WFYFZMYFUWUJEG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-160991
Cc1nn(c(c1C#N)NN=C1C(=Nn2c1nnc2C)C(C)(C)C)c1c(ccc(c1)S(=O)(=O)O)S(=O)(=O)O	PC-id_89330946	547.567	UWTZMFDGADGSDH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160992
S(=O)(=O)(O)c1cc(n2nc(c([N+]#[C-])c2N/N=C/C(=Nn3c2nnc3C)C(C)(C)C)C)c(SOOO)cc1	PC-id_59071036	547.567	FJYOXKIMFDSVJQ-KQWNVCNZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160993
S(=O)(=O)(O)c1cc(n2nc(c([N+]#[C-])c2NN=C2C(=Nn3c2nnc3C)C(C)(C)C)C)c(SOOO)cc1	PC-id_72506936	547.567	FJYOXKIMFDSVJQ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160994
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3nc(nc23)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_21032565	547.567	NPSHKRALOFRFLL-XQNSMLJCSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160995
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/C(=Nn3nc(nc23)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_58650663	547.567	NPSHKRALOFRFLL-KQWNVCNZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160996
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_73735472	547.567	NPSHKRALOFRFLL-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-160997
NCC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N(C)C	PC-id_68988248,SCHEMBL4288051	547.577	HHZXRVLVRFXAMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160998
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(F)cccc1CNC1CCCC1	SCHEMBL1372373,PC-id_67009469	547.592	QTSKOFGJGVJSKK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-160999
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)cc(s2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)c1ccccc1	PC-id_57791736,SCHEMBL13786654	547.602	DOIHULLPNBPQGV-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-161000
ONC(=O)[C@H](N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)c1ccccc1	SCHEMBL13786653,PC-id_57791541	547.602	RWYKUBDHQMLQNA-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161001
ONC(=O)C(N1Cc2c(S1(=O)=O)sc(c2)NC(=O)c1cccc(c1)C(=O)c1ccccc1)c1ccccc1	SCHEMBL8032638,PC-id_76606581	547.602	RWYKUBDHQMLQNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161002
S1(=O)(=O)N(Cc2sc(NC(=O)c3cc(ccc3)C(=O)c3ccccc3)cc12)C(c1ccccc1)C(=O)NO	PC-id_76606600	547.602	DOIHULLPNBPQGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161003
n12nc(nc1sc(=Cc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)Cc1ccccc1	MCULE-9611040370	547.605	AGYAGWGEQZWTHZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161004
CN(CCN(c1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	PC-id_68986125,SCHEMBL4283878	547.621	VFTRYQDSFJNYOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161005
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccccc1)c1ccccc1)C(=O)OCC	PC-id_17047167	547.692	MXTIAEDCZMQCRL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161009
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1cc(ccc1)C)c1ccccc1)C(=O)OC	PC-id_17047186	547.692	NKQFVMUKPAEYIA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161010
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccc(cc1)C)c1ccccc1)C(=O)OC	PC-id_17047763	547.692	WHAWYVBOHKNSHR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161011
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1c(cccc1)C)c1ccccc1)C(=O)OC	PC-id_17047823	547.692	PEPLEHCQBBDIKV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161012
CC(Cn1ncc(c1)Nc1nc(cnc1C(=O)N)N1CCC[C@H]([C@H]1C)NC(=O)c1cc2c(n1C)CC(C2)(C)C)C	PC-id_140930320	547.695	KYQMZBPMXJNNBC-WIYYLYMNSA-N	00000010100010100001100010000000000000000000000000000000	25-01-161013
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)C(N(C2)Cc1ccc(cc1)S(=O)(=O)C)(C)C	SCHEMBL18368017	547.71	NXAKHCFPTJYPLD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161014
CCN(CCNCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(cc1)OC)CCC2)CC	SCHEMBL267421,PC-id_23107242	547.711	TVUBYCSCCQTAAW-UZWMFBFFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161015
s1c2c(CCC2)c(c1NC(=O)c1cc(CNCCN(CC)CC)ccc1)C(=O)NN=Cc1ccc(OC)cc1	PC-id_66638457	547.711	TVUBYCSCCQTAAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161016
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_5096504,EMOLS-id_22700364,MCULE-9129426302,CoCoCo_2661460	547.713	HSASNOONVQJYAZ-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-161017
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)C(=O)OC)Cc3s2)cc1	BindingDB-id_722763	547.73	HANXYMSSIVPDEU-FZNKQFQNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161018
COC(=O)C1CCC(CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	BindingDB_PC-id_124180322	547.73	HANXYMSSIVPDEU-FGJIOPLASA-N	00000010100010110001000010000000000000000000000000000000	25-01-161019
COC(=O)[C@@H]1CC[C@@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367960	547.73	HANXYMSSIVPDEU-DFIYOIEZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161020
CCCCCCCCCc1ccc(cc1)OC(=O)NCSNCC(=O)ON=C1C(Sc2nccn12)(C)C	PC-id_92035019	547.733	PSGZYOXSOWSGHW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161021
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2nc3c(s2)CCC3)c1	CHEMBL43874,PC-id_44288196,BindingDB_PC-id_44288196	547.771	QOEXKMGAAOGXMD-NCJIYNIUSA-N	00100010100000110001000010000000000000000000000000000000	25-01-161022
S(CC1(CC1)CC(=O)O)C(CCc1c(C(O)(C)C)cccc1)c1cc(ccc1)C=Cc1sc2CCCc2n1	PC-id_74970728	547.771	QOEXKMGAAOGXMD-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-161023
CCC1=C(N2CC(SC2=N1)Cl)C(=O)NCC3=CC(=C(C=C3)N4CCN(C=N4)I)F	PC-id_165126535	548.006	GEFXELGCJTUJEP-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-161024
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	PC-id_121041243	548.031	FAVLVWHXUWVDFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161025
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	PC-id_121043087	548.031	HCQPSXGYPHFMSU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161026
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCC2	PC-id_121045106	548.031	SPHKTUCXJFJDTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161027
CCN(C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)c1sc2c(n1)CN(C2)C)NC(=O)C(=O)Nc1ccc(cn1)Cl)C	SCHEMBL12036381,PC-id_59676927	548.057	OVRHVZDIWUBWNO-CWRNSKLLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161028
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(CC)C)nc1	PC-id_72355328	548.057	OVRHVZDIWUBWNO-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161029
CN1Cc2c(C1)nc(s2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=S)C(=C)Nc1ccc(cn1)Cl)C(=O)N(C)C	SCHEMBL12507551	548.124	ZQTIUVGSAZSDLI-BHYGNILZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161030
CN1Cc2c(C1)sc(n2)C(=O)NC1CC(CCC1NC(=S)C(=C)Nc1ncc(cc1)Cl)C(=O)N(C)C	PC-id_88926840	548.124	ZQTIUVGSAZSDLI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161031
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccsc1)CC2=NO	PC-id_11570245	548.315	DTSJLAUUSYDZAV-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-161032
[2H]C([2H])([2H])C([2H])([2H])N1C2=C(CN(C2(C)C)C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=N1)NC(=O)C4=CC=C(C=C4)NC(=O)C=C	PC-id_164941718	548.327	WIIGVKYCTIGESH-RIOLFHJJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161033
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)COc1ccc(cc1)Br	MCULE-9218940408	548.332	ZQFZVPQIBQKAAI-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161034
Ic1c(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cccc1	PC-id_44053547	548.397	JDTORBQUSMYYAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161035
CCOC(=O)c1c(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)C)sc2c1CCC2	ZINC22_408613775	548.415	YCZGJJYKPKLBIP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161036
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-7045280188	548.451	INPIXHOJTVICNQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161037
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-4371701567	548.451	IMDBGRRKOUTVNU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161038
O=C(Nc1ccoc1CNC(=O)N1Cc2c(C1=O)cco2)Nc1ccoc1CNC(=O)N1Cc2c(C1=O)cco2	PC-id_101543227	548.461	YPSIKXCPNILIRJ-UHFFFAOYSA-N	00000010101000000000000010000000000000000000000000000000	25-01-161039
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)NC(c1ccc(cc1)c1cocc1)C	SCHEMBL18740157	548.48	UTYAZVQWAKJCCB-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-161040
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)N[C@H](c1ccc(cc1)c1cocc1)C	SCHEMBL18740154	548.48	UTYAZVQWAKJCCB-INIZCTEOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-161041
OC[C@@H]1[C@@H](COCc2ccccc2)n2c([C@@]1(O)C(Cl)(Cl)Cl)cc(c2Br)Br	PC-id_102046441	548.481	ZYSCDOCEIPTCHI-AXAPSJFSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161042
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@]1(COP(=O)(O)O)F)(C(=O)NO)S(=O)(=O)C	PC-id_137440935,SCHEMBL20678243	548.499	JFPLWEYHTIDHML-KPOBHBOGSA-N	00100010100000000000000010000000000000000000000000000000	25-01-161043
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@]1(COP(=O)(O)O)F)(C(=O)NO)S(=O)(=O)C	SCHEMBL20678245,PC-id_137440937	548.499	JFPLWEYHTIDHML-JUJMCKSGSA-N	00100010100000000000000010000000000000000000000000000000	25-01-161044
FC(F)(F)Oc1ccc(COC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66886947,SCHEMBL1043328	548.511	HKSWKEZGAVTQQE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161045
FC(F)(F)Oc1ccc(COC2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66887684,SCHEMBL1046542	548.511	HKSWKEZGAVTQQE-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161046
FC(F)(F)Oc1ccc(COC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1043327,PC-id_5278838	548.511	HKSWKEZGAVTQQE-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161047
FC(F)(F)Oc1ccc(COCC2CCN(CC2)c2ccc(OCC3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_67275290,SCHEMBL2094338	548.511	UOKIBSNNCHCCBD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161048
FC(F)(F)Oc1ccc(COCC2CCN(CC2)c2ccc(OC[C@@H]3Oc4n(C3)cc(n4)[N+](=O)[O-])cc2)cc1	PC-id_5278847,SCHEMBL2094333	548.511	UOKIBSNNCHCCBD-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161049
FC(F)(F)Oc1ccc(OCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66886969,SCHEMBL1043389	548.511	DHZIIWNTTUHXHK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161050
FC(F)(F)Oc1ccc(OCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1043388,PC-id_6480412	548.511	DHZIIWNTTUHXHK-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161051
FC(F)(F)Oc1ccc(OCC2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1045899,PC-id_66887547	548.511	DHZIIWNTTUHXHK-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161052
CC(C)C1c2c(CN1Cc1cc(ccc1)Br)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170835,SCHEMBL19772004	548.516	KSKKIPVTBKNEBU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161053
CC(C)C1c2c(CN1Cc1ccc(cc1)Br)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772122,PC-id_134170949	548.516	DMNIRJLSRMFLGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161054
CC(C)[C@@H]1c2c(CN1Cc1cc(ccc1)Br)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19767361,PC-id_134167021	548.516	KSKKIPVTBKNEBU-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161055
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)Br)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368083	548.516	DMNIRJLSRMFLGO-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161056
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_4356736	548.528	DLNPZROTZOZXMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161057
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C(C)C(F)(F)F)OC	PC-id_137355423,SCHEMBL20579880	548.552	GSGFDNNHMWKXQA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161058
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)C(C)C(F)(F)F)OC	SCHEMBL20579879,PC-id_137355422	548.552	GSGFDNNHMWKXQA-SBXXRYSUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161059
CCOC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2	MCULE-8992261462,ZINC22_103135716,CoCoCo_2816197,EMOLS-id_43688472,PC-id_3411391	548.552	GMCFANSNVFHFLD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161060
OCCOCC1=CCCC(=C1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758743	548.554	NHBKRWCKVJYXLJ-KRWDZBQOSA-N	00000010100011110001000010000000000000000000000000000000	25-01-161061
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(CN2CCOCC2)cccc1F)(C)C)c1cc(F)cc(F)c1	PC-id_58524050	548.577	KLGAFERQASSBHV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161062
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cccc1F)(C)C)c1cc(F)cc(F)c1	PC-id_58524049	548.577	CPQGAWKNIDBPFA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161063
CN1CCN(CC1)c1ccc(cc1F)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703865,SCHEMBL4278137	548.58	XZUXTUCZRWYXJD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161064
CN1CCN(CC1)c1ccc(c(c1)F)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703909,SCHEMBL4283380	548.58	XJIUFFGFFFSXLZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161065
COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408629880	548.604	JPYYCIDBYIIACI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161066
CCN(CCOC)c1cc(c(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(cc(c1)F)F)N	PC-id_89188397,SCHEMBL13857381	548.605	AJWIDGXATXPREC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161067
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC=C)C(=O)OCC	PC-id_17305875	548.625	ZKJCJCMWJYJVIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161068
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(cc1)OCCCC	MCULE-8628299347	548.633	QLKYOJDTQUNJKP-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161069
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(OC)cc(OC)c2)nn1)C(=O)OCC	PC-id_24131210	548.655	VXARGKWLLBIDGD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161070
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(OC)c(OC)cc2)nn1)C(=O)OCC	PC-id_24125841	548.655	FSSQNVDRSPTCES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161071
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(OC)c(OC)ccc2)nn1)C(=O)OCC	PC-id_24052649	548.655	RXNCMZYHYZXWQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161072
O=C(CCc1nnc2s/c(=C/c3ccc(Cl)cc3Cl)/c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl	ZINC22_104285306	548.657	XEDMPWJCRXPRIG-FZSIALSZSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161073
O=C(CCc1nnc2s/c(=Cc3ccc(Cl)cc3Cl)/c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl	ZINC22_1624123,NSC634667	548.657	XEDMPWJCRXPRIG-BNCCVWRVSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161074
CC[C@@H]([C@@H]1N(Cc2ccc(cc2)OC(F)F)Cc2c1nc(s2)C(=O)CCc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL18368056	548.665	FBLOXFZUKHESRT-GKVSMKOHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161075
CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)CNc1sc2c(c1C(=O)OCC)CCC2	PC-id_110830317	548.671	TYFNTCNGJYIXRU-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161076
COC(=O)CC(c1ccccc1)CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)Nc1sc2c(n1)CCC2	PC-id_88086713,SCHEMBL7080976	548.673	AMBFKKWXHYHJIP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161077
S(=O)(=O)(CC(CC(=O)O)c1ccccc1)c1ccc(OCc2cc(Nc3sc4CCCc4n3)ccc2)cc1	PC-id_10174987	548.673	CRHFFANJDISLDK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161078
CCOC(=O)c1c(NC(=O)CSC2=NN(Cc3ccccc3)CC(=N2)Oc2ccccc2)sc2c1CCC2	PC-id_56686034,CoCoCo_6600727,ZINC22_102504485	548.676	YDSQQRJXFGTBQC-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-161079
CCOC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccccc2)sc2c1CCC2	CoCoCo_5851436,PC-id_23959862,EMOLS-id_15738831,ZINC22_103249977,MCULE-3874208312	548.676	YCVNEECAKZDFNR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161080
CC(CN(Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(cc1)C)CCC2)CC(O)C)O	SCHEMBL267494,PC-id_23107494	548.696	LDBXWHYVVDWXGO-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161081
s1c2c(CCC2)c(c1NC(=O)c1cc(CN(CC(O)C)CC(O)C)ccc1)C(=O)NN=Cc1ccc(cc1)C	PC-id_66638509	548.696	LDBXWHYVVDWXGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161082
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1OC([2H])([2H])[2H]	PC-id_140882938	548.697	DNRUSNJWIZXTID-GKOSEXJESA-N	00001010100000110001000010000000000000000000000000000000	25-01-161083
N1(CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccccc2)SC1=S	PC-id_73468653,MCULE-3168565232	548.699	VAFJKELYGPZXSA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161084
N1(CC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)C)SC1=S	PC-id_73468655,MCULE-9395356126	548.699	AJFAAFABLXPFIG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161085
s1c2c(CCC2)c(c1NC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884056	548.699	VAFJKELYGPZXSA-STZFKDTASA-N	00000010100000111001000010000000000000000000000000000000	25-01-161086
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)/C(=C/c2ccc(cc2)C)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884058	548.699	AJFAAFABLXPFIG-MTJSOVHGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161087
CC(c1nc2n(n1)nc(/c/2=C/c1c2n(nc1C(C)(C)C)nc(n2CCCOC(=O)C(=C)C)C(C)C)C(C)(C)C)C	SCHEMBL15042106	548.723	HGKIECBMOMVDOH-SILNSSARSA-N	00000000100000000001000110000000000000000000000000000000	25-01-161088
CC(C)c1nn2c(n1)c(=Cc1c3n(c(nn3nc1C(C)(C)C)C(C)C)CCCOC(=O)C(=C)C)c(n2)C(C)(C)C	PC-id_89638173	548.723	HGKIECBMOMVDOH-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-161089
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)[C@H](c1ccccc1)COCc1ccccc1	SCHEMBL19537148	548.739	AYRPRDDKSFKXJP-VWLOTQADSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161090
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)[C@@H](c1ccccc1)COCc1ccccc1	SCHEMBL19537515	548.739	AYRPRDDKSFKXJP-RUZDIDTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-161091
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	EMOLS-id_43720202,PC-id_4328107,ZINC22_103113500,CoCoCo_2911465,MCULE-9660604130	549.016	OKLMZZIXAICPDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161092
CCOc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)c1ccc(Cl)cc1	ZINC22_408616528	549.059	GYJTWRCOUQVANZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161093
CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC22_408630085	549.059	NIZKNERMNXOAMQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161094
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408602004	549.059	BMVHYCMNXRUQOV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161095
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408619094	549.059	LXPDDUMHKAVPHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161096
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408621004	549.059	NTHHDFYBAVDFIZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161097
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408616014	549.059	FAEWRLWNBLDXLR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161098
COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408605572	549.059	JNFDSDDGRHMPBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161099
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1)C	PC-id_19641153	549.105	AMWNJHKKFCGGQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161100
Clc1cc(c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1)C	PC-id_20122312	549.105	VKZAIURAKOSBJH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161101
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1C)C	PC-id_19641523	549.105	ZPEQVLIPEBITHF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161102
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)cc1C)C	PC-id_19634577	549.105	VRFOABXJSJOGHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161103
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)cc1C)C	PC-id_19641395	549.105	LTRYWJNESMKWHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161104
Clc1cc(c(OCCCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1)C	PC-id_17302734	549.105	WNYZDIUORNVQSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161105
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1)C	PC-id_20123223	549.105	IWEWODJPNCYERS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161106
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc(cc1)C	PC-id_19635212	549.105	SYVNNALHVZFUIX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161107
Clc1ccc(NC(=O)C(=S)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(C)C)cc1	PC-id_72631576	549.108	YALKHYMEGMTVMZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161108
Clc1ccc(NC(=O)C(=S)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(C)C)cc1	PC-id_60047461	549.108	YALKHYMEGMTVMZ-RRQGHBQHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161109
C1CC2=C(C(=C(N2C1)C(=O)C(=O)CC3(CCC(CC3)CC(=O)O)C#N)Cl)C(=O)NC4=CC(=C(C(=C4)F)F)F	PC-id_164955979	549.128	BEFMILFIOIVFGO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161110
Cc1cc(ccc1)CN1CCn2c1c(c(n2)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(cc1)C(=O)NS(=O)(=O)C	PC-id_164070725	549.166	OTGWUVABHVJAKW-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161111
CC1=CC(=CC(=C1F)F)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)CC(=O)OC)C	PC-id_164992004	549.184	VBIMZZNQMBJMJG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161112
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)CC(=O)OC)C)F	PC-id_164992881	549.184	DPLBFHPUMLBJDD-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161113
CCN(C1CCC(CC1)CCC(=O)O)C(=O)C(=O)c1c(c(c2n1CCC2)C(=O)Nc1cc(c(cc1)F)F)Cl	PC-id_163850017	549.184	OTOCUNDXHCHMKI-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161114
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=C(C=CC=C3Cl)Cl)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587086	549.191	NXAOBBOPKNEKJG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161115
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CN=C(N=C3)N4CCCN(CC4)CC5=CC=C(C=C5)OC(F)(F)F	PC-id_149141535	549.195	RHWAQPGRJYFCMA-HSZRJFAPSA-N	00000010100000110101100010000000000000000000000000000000	25-01-161116
n12nc(nc1sc(=Cc1ccc(c3c(cccc3Cl)Cl)o1)c2=O)COc1ccc(cc1)Br	MCULE-2463132796	549.224	JEJOGLRPSWNFPU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161117
n12nc(nc1sc(=Cc1ccc(c3cccc(Cl)c3Cl)o1)c2=O)COc1ccc(cc1)Br	MCULE-7563330714	549.224	IDKGFUOEISCHKL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161118
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)cc(Cl)c3)o1)c2=O)COc1ccc(cc1)Br	MCULE-9907140935	549.224	YEGPWBAMNDHVQL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161119
FC1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12	PC-id_57340817,BindingDB-id_198550,BindingDB_PC-id_57340817	549.27	BQQZQKPWHKZRPF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161120
Brc1sc(Br)c2C(=O)N(C(CCCCCCCC)CCCCCCCC)C(=O)c12	PC-id_58261070,SCHEMBL1498236	549.402	AUYKPGRVWCBUBI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161121
COC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408630613	549.457	VUCZLEHFHDDTOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161122
COC(=O)c1c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408629640	549.457	FMNXPGLHNKEZGJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161123
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)scc1c1ccc(Br)cc1	EMOLS-id_328222072,MCULE-1799286747	549.479	AETFYYADDWEZFU-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-161124
COC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc(C)c1c1ccc(Br)cc1	MCULE-6799546159,EMOLS-id_328224631	549.479	JNVRBSZNYLGCSW-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-161125
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373849,PC-id_67010055	549.504	WZTAHOBMGWDLPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161126
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCCC)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_18848998,MCULE-5320475078	549.509	NNXHZRVZPMZDHP-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-161127
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1N)OC)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009380,SCHEMBL1372178	549.547	GWVJSKMNFJFNDH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161128
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(F)cccc1CN1CCOCC1	PC-id_57749833,SCHEMBL1372938	549.565	MFVAEAMTVKYYHP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161129
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(F)cccc1NC1CCOCC1	SCHEMBL1372252,PC-id_57749886	549.565	IVGHFVGGUBHVBB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161130
C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCC3)c1	CoCoCo_3218659,PC-id_2454074,ZINC22_3337906,MCULE-6895173621,EMOLS-id_43812122	549.585	KNRSEVYAMFUTDT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161131
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)C(F)(F)F	SCHEMBL14055539,PC-id_89236987	549.585	MCQUQEQESGUXEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161132
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCC(CC1)F	SCHEMBL3897754,PC-id_68830333	549.593	CSHVDQTUSVGGJU-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161133
FC1CCN(CC1)c1ccc(C(=O)Nc2nn(c3c2CN(C3)C(=O)C(OC)c2ccccc2)C(=O)OCC)cc1	PC-id_21874027	549.593	CSHVDQTUSVGGJU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161134
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OCC	PC-id_4983321	549.595	KADRMSMTABALKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161135
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OCC	PC-id_9687632	549.595	KADRMSMTABALKV-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161136
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OC	PC-id_19659082	549.595	HYWKWYZASFIBSZ-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161137
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OC	PC-id_19660810	549.595	QSDXGPDQGKCUMM-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161138
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2cc(ccc2)C)cc1)C)C(=O)OC	PC-id_5082572	549.595	AOHICRDXCNHKGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161139
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OC	PC-id_73633578	549.595	HYWKWYZASFIBSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161140
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OC	PC-id_73635260	549.595	QSDXGPDQGKCUMM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161141
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2cc(ccc2)C)cc1)C)C(=O)OC	PC-id_9606881	549.595	AOHICRDXCNHKGV-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161142
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2c(OC)cccc2)cccc1)C)C(=O)OCC	PC-id_19659652	549.595	SJGDWGHERFBHJR-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161143
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2c(OC)cccc2)cccc1)C)C(=O)OCC	PC-id_73634135	549.595	SJGDWGHERFBHJR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161144
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1cc(c(c(c1)C1CCC1)F)F	SCHEMBL19772003,PC-id_134170834	549.598	RQOJRGCKSCVJRQ-SANMLTNESA-N	00001010100000110001100010000000000000000000000000000000	25-01-161145
c1(NC(=O)COc2cccc(c2)NC(=O)c2cc(c(OCC)c(OCC)c2)OCC)sc2c(CCC2)c1C#N	MCULE-8415098551,EMOLS-id_323176289	549.638	NKUSDZGISYKKHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161146
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2cc(ccc2)C)cc1)C(=O)OCC	PC-id_19661543	549.638	NMGUZYLEBFAGOM-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161147
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2ccc(cc2)C)cc1)C(=O)OCC	PC-id_4287523	549.638	PHRPUXIDPFZWRO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161148
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc(Cl)c1	PC-id_19680048	556.505	SULYDEZGKFLYNI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161560
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2cc(ccc2)C)cc1)C(=O)OCC	PC-id_73635975	549.638	NMGUZYLEBFAGOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161149
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2ccc(cc2)C)cc1)C(=O)OCC	PC-id_9656210	549.638	PHRPUXIDPFZWRO-OKCVXOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161150
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_4320830	549.638	HGJOEQLPFFXCSV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161151
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_5221191	549.638	HRKWZNPDNFDMHS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161152
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_9612659	549.638	HRKWZNPDNFDMHS-FDAWAROLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161153
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_9657534	549.638	HGJOEQLPFFXCSV-FDAWAROLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161154
c1(NC(=O)COc2cccc(c2)NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCC2)c1C#N	MCULE-2686780550	549.639	BXEICVUMAFBQRD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161155
O=C(COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1)Nc1sc2CCCc2c1C#N	EMOLS-id_323163256	549.639	BXEICVUMAFBQRD-SAPNQHFASA-N	00000010100000110000000010000000000000000000000000000000	25-01-161156
s1c2c(CCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2nc(OC)nc(OC)c2)cc1)C(=O)OC	PC-id_20167243	549.643	TUNXBFHJBBICAF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161157
CC[C@@H](C1N(Cc2ccc(cc2)OC(F)F)Cc2c1nc(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL19767350,PC-id_134167010	549.653	ZYBRDRLZWVYQFG-GZWBLTSWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161158
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)OC(F)F	PC-id_86295627	549.653	AUULOOAYHIDGMM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161159
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)OC(F)F	SCHEMBL18368087	549.653	AUULOOAYHIDGMM-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-161160
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cc4)Cc3s2)cc1	BindingDB_PC-id_86295627,SCHEMBL16224783,BindingDB-id_722720	549.653	AUULOOAYHIDGMM-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161161
CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cc4)Cc3s2)cc1	PC-id_145713375,BindingDB_PC-id_145713375,BindingDB-id_722825	549.653	BJICOPBRKSBZRG-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161162
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)CN1CCCCC1)OC	PC-id_89836909,SCHEMBL15300543	549.66	MARIIFKHLXYNLY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161163
s1c2CCCc2c(c1NC(=O)CSc1n(c(nn1)CS(=O)(=O)c1ccc(cc1)C)c1ccccc1)C#N	PC-id_23407951	549.688	AKRWKELLQUBBFH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161164
CC(C)[C@H]1c2c(CN1Cc1ncc(cc1)C#N)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CC1CCC1	SCHEMBL19772218,PC-id_134171038	549.707	IIFSHAWESXHKAN-SANMLTNESA-N	00001010100000111001000010000000000000000000000000000000	25-01-161165
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)NC(c1ccccc1)COc1ccccc1	SCHEMBL19537538	549.727	CKDGPLZNZYVBCL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161166
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)N[C@@H](C(C)C)CC(O)(C)C	PC-id_140817081	549.778	BWWVWQBFSKUNSJ-LJQANCHMSA-N	00001010100000000001000010000000000000000000000000000000	25-01-161167
CCOC(=O)c1c2CCCc2sc1NC(=O)c1ccccc1NS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-]	EMOLS-id_2912709,MCULE-1361210439,ZINC22_6142691,CoCoCo_1720353,PC-id_3395705	550.004	NNLDIYUYZYYOEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161168
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=C(C=CC(=C4)Cl)Cl	PC-id_160783209	550.092	SAVWKJPFNSPTEJ-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161169
Clc1ccc(NC(=O)C(=S)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_73070714	550.097	DICAITPQRBIUBS-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161170
Clc1ccc(NC(=O)C(=S)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(C)C)nc1	PC-id_10302768,SCHEMBL2186513	550.097	DICAITPQRBIUBS-AEGPPILISA-N	00000010100010101001000010000000000000000000000000000000	25-01-161171
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1cc(Cl)ccc1F	PC-id_140882972	550.098	RTPBEZCPGAHBBU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161172
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1cc(F)ccc1Cl	PC-id_140882952	550.098	PVYVESHJHYJZFU-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161173
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(Cl)cc2F)cc1	BindingDB-id_722757,BindingDB_PC-id_145713326,PC-id_145713326	550.108	MQDNMYQTOIGTCO-CPJLOUKISA-N	00000010100000110001000010000000000000000000000000000000	25-01-161174
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(Cl)cc2F)cc1	PC-id_145713327,BindingDB_PC-id_145713327,BindingDB-id_722758	550.108	MQDNMYQTOIGTCO-LMKMVOKYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161175
CC1(CCOCC1)CCCCC(=O)C(=O)c1c(c(c2n1CCC2)C(=O)Nc1cc(c(cc1)F)F)Br	PC-id_164102170	550.128	XPPFRIUGFRDKPQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161176
C1COC1CN2C3=C(C=C(C3)C(=O)O)N=C2CN4CCC(=CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)Cl)F	PC-id_165019202	550.178	UQNKOWQMNYFMHD-UHFFFAOYSA-N	00001011100011111001100010000000000000000000000000000000	25-01-161177
C1CO[C@@H]1CN2C3=C(C=C(C3)C(=O)O)N=C2CN4CCC(=CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)Cl)F	PC-id_165021447	550.178	UQNKOWQMNYFMHD-QFIPXVFZSA-N	00001011100011111001100010000000000000000000000000000000	25-01-161178
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COCc1cnc(nc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	PC-id_163850092	550.179	OTQBYYULYRNRAL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161179
CC[NH+](C1CCC(CC1)CCC(=O)O)C(=O)C(=O)c1c(c(c2n1CCC2)C(=O)Nc1cc(c(cc1)F)F)Cl	PC-id_163850016	550.191	OTOCUNDXHCHMKI-UHFFFAOYSA-O	00000010100010110000000010000000000000000000000000000000	25-01-161180
CC(C)(C)OC(=O)CCCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C=C3)F)F)Cl	PC-id_164962614	550.205	CAYIEHZSJHGDDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161181
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)C	MCULE-7930561801	550.406	YTYVYXNJPXVKCY-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161182
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-8649608108	550.424	OZVFSKUHASGYFV-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161183
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-8611834392	550.424	JYNWVWKZQYHOIT-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161184
N#CNC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740277	550.456	DKRFNIRCESYVBB-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161185
N#CNC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740279	550.456	DKRFNIRCESYVBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161186
CC1(C[C@@](C=C(C1=O)C(C1CNc2nccn12)c1ccc(cc1)C#N)(S(=O)(=O)N1CCOCC1)Cl)Cl	PC-id_135800125	550.457	JBTHGWKJIORCDZ-COKVYTMOSA-N	00000010100011110001000010000000000000000000000000000000	25-01-161187
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)NC(c1ccc(cc1)c1n[nH]nn1)C	SCHEMBL18740021	550.459	XOFNZIDDFFYOCG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161188
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NC(c1ccc(cc1)c1n[nH]nn1)C	SCHEMBL18740291	550.459	ZSUUBVQCONIHAJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161189
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)N[C@H](c1ccc(cc1)c1n[nH]nn1)C	SCHEMBL18740018	550.459	XOFNZIDDFFYOCG-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161190
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)N[C@H](c1ccc(cc1)c1n[nH]nn1)C	SCHEMBL18740290	550.459	ZSUUBVQCONIHAJ-ZDUSSCGKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161191
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CN(C2(C)C)C(=O)Cc1c(F)cccc1F	SCHEMBL1984356,PC-id_67237246	550.477	BCIMCXJZOWRABO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161192
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C)C(=O)OC	PC-id_19659576	550.54	HJVBJBMOPYPULS-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161193
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C)C(=O)OC	PC-id_73634060	550.54	HJVBJBMOPYPULS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161194
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)OCC	PC-id_19661483	550.54	QFFCBIZNWMBCCC-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161195
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)OCC	PC-id_73635915	550.54	QFFCBIZNWMBCCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161196
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2c([N+](=O)[O-])cccc2)cc1)C(=O)OCC	PC-id_19661389	550.54	CTBZACUVOKDADJ-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161197
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2c([N+](=O)[O-])cccc2)cc1)C(=O)OCC	PC-id_73635823	550.54	CTBZACUVOKDADJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161198
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2c([N+](=O)[O-])cccc2)ccc1)C(=O)OCC	PC-id_4176568	550.54	WSPDTYGVZPRHQT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161199
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2c([N+](=O)[O-])cccc2)ccc1)C(=O)OCC	PC-id_9651352	550.54	WSPDTYGVZPRHQT-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161200
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)cccc1)C(=O)OCC	PC-id_3334109	550.54	DCZQLNZJDAEMIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161201
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc([N+](=O)[O-])cc2)cccc1)C(=O)OCC	PC-id_9664846	550.54	DCZQLNZJDAEMIB-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161202
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2c([N+](=O)[O-])cccc2)cccc1)C)C(=O)OC	PC-id_19661514	550.54	KHXBUOJRBHSSNR-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161203
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2c([N+](=O)[O-])cccc2)cccc1)C)C(=O)OC	PC-id_73635946	550.54	KHXBUOJRBHSSNR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161204
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2c([N+](=O)[O-])cccc2)cccc1)C(=O)OCC	PC-id_4615606	550.54	GDLFJTOEJDHUQF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161205
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2c([N+](=O)[O-])cccc2)cccc1)C(=O)OCC	PC-id_9679376	550.54	GDLFJTOEJDHUQF-MZJWZYIUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161206
CC1(Cn2cc(nc2S1)[N+](=O)[O-])COc1ccc(cc1)N1CCC(CC1)Oc1ccc(cc1)OC(F)(F)F	PC-id_137658889	550.55	JLIZCKIDPGDOOM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161207
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1ccc(cc1)OC(F)(F)F	PC-id_24752589,SCHEMBL4278041	550.553	PSGSTWSUSPJEQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161208
O=C(N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)ncc1F	PC-id_141731236	550.566	DNHIDUTWPCWNOX-UHFFFAOYSA-N	00000010100000100001000010000000000000000000000000000000	25-01-161209
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)N1CCN(CC1)CC=Cc1ccc(cc1)OC(F)(F)F	SCHEMBL5547921,PC-id_87853031	550.573	YWTAIWJBENVYJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161210
FC(F)(F)Oc1ccc(/C=C/CN2CCC(N3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69480255,SCHEMBL5538623	550.573	ALHUGAYUFOWMEI-ZNOKPGKASA-N	00000010100010110001100010000000000000000000000000000000	25-01-161211
FC(F)(F)Oc1ccc(C=CCN2CCC(N3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69480259	550.573	ALHUGAYUFOWMEI-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161212
FC(F)(F)Oc1ccc(C=CCN2CCC(N3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69480262,SCHEMBL5538638	550.573	ALHUGAYUFOWMEI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161213
FC(F)(F)Oc1ccc(C=CCN2CCN(C3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69483004	550.573	YWTAIWJBENVYJG-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161214
FC(F)(F)Oc1ccc(/C=C/CN2CCN(C3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL5547913,PC-id_69483003	550.573	YWTAIWJBENVYJG-ZNOKPGKASA-N	00000010100010110001100010000000000000000000000000000000	25-01-161215
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccc(cc1)C(c1ccccc1)(OC)OC)C(=O)[O-]	PC-id_89437157,SCHEMBL14774894	550.583	AELVWZHGELITHE-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-161216
CN1CCC(CC1)NC(=O)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1c(F)cccc1F	PC-id_24948261,SCHEMBL1982358	550.6	JPNJNMMWTZLWOJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161217
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC	MCULE-1623960059	550.606	OQDIIKHSOCWEDC-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161218
Brc1cccc(n1)CCCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(C)C	PC-id_58201369,SCHEMBL12747758	550.607	PDYHALCEKFBFIH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-161219
Brc1ccnc(c1)CCCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(C)C	PC-id_58201387,SCHEMBL12747786	550.607	CXZUGKKCXKVBCZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-161220
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(=O)n(c1)C(F)F	PC-id_134170869,SCHEMBL19772039	550.641	LSRANWSYYYYFNL-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161221
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(=O)n(c1)C(F)F	SCHEMBL18367903	550.641	LSRANWSYYYYFNL-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161222
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccn(c(=O)c1)C(F)F	SCHEMBL18367940	550.641	JWAQBXSQGNETAC-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161223
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)Cc1ccn(c(=O)c1)C(F)F	PC-id_134170956,SCHEMBL19772129	550.641	DNVLUAKPLNOEFH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161224
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)Cc1ccn(c(=O)c1)C(F)F	SCHEMBL18367927	550.641	DNVLUAKPLNOEFH-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161225
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cn4)Cc3s2)cc1	PC-id_145713340,BindingDB-id_722772,BindingDB_PC-id_145713340	550.641	UPULLKJXTHOIOP-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161226
n1(Cc2ccccc2)c2CCCc2cc1C(=O)NC(CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	EMOLS-id_328214642,MCULE-4863747919	550.644	HPAVZVWSNUSHLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161227
CN1CCN(C(C1)c1ccccc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)Oc1ccccc1	SCHEMBL6374905,PC-id_59508348,BindingDB_PC-id_59508348	550.651	PUIKAJJTQJBRGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161228
s1c2CCCc2c(c1NC(=O)c1ccc(Oc2ccc(C(=O)Nc3sc4CCCc4c3C#N)cc2)cc1)C#N	PC-id_4308175	550.651	HSLWZJZCMAUSDW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161229
COC(=O)CC(c1ccccc1)CS(=O)(=O)C1=CC=C(CC1)Oc1ccc(cc1)Nc1sc2c(n1)CCC2	PC-id_142264947	550.689	MRPUZBPIXHFZKF-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-161230
Cc1nn(c(c1C(=c1c(nn2c1nc(n2)C(C)CNc1ccccc1)C)C)NC(=C)C(C)CNc1ccccc1)N	PC-id_89132837	550.7	LIZOPRAPFFFFCJ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161231
C=C(C(CNc1ccccc1)C)Nc1n(N)nc(c1/C(=c
/c(C)nn2c1nc(n2)C(CNc1ccccc1)C)/C)C	SCHEMBL13629835	550.7	LIZOPRAPFFFFCJ-HFTWOUSFSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161232
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(Oc2ccccc2)cc1	CHEMBL380107,PC-id_24205512,NSC736067	550.72	PEMDVGAKLROJCT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161233
CCOCCOCCc1cc2c(s1)/C(=C/c1sc3c(c1C=C)sc(c3)CCOCCOCC)/CS2	SCHEMBL19143928	550.816	PKIHOCGNCOXKJJ-XDJHFCHBSA-N	00000010100000000000000110000000000000000000000000000000	25-01-161234
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N1CC(C1)F)C)Cl	PC-id_134598969,SCHEMBL20252869	550.957	MNWOOUOUOXMMSH-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-161235
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)ccc1F	PC-id_21164801	551.053	LCWXUYVIWDAXAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161236
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)ccc(F)c1	PC-id_19634051	551.053	QCILOCJBOCUGSZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161237
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)ccc(F)c1	PC-id_19640904	551.053	DQQZASUUZOYFMT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161238
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ncc(Cl)cc2F)cc1	BindingDB_PC-id_145713339,PC-id_145713339,BindingDB-id_722771	551.096	YINFGGVVNSRKFM-OWJWWREXSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161239
CC1CCC(C1NS(=O)(=O)C2=C3C=CCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278704	551.141	SSSOBYOKPSUFSV-UHFFFAOYSA-N	00000011100000101000000010000000000000000000000000000000	25-01-161240
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])CN3CCC(CC3)N(C4CCN(CC4)C5=CC=C(C=C5)C(F)(F)F)C(=O)[O-]	PC-id_152747192	551.224	MOVZZYZYBPYSLR-DEOSSOPVSA-M	00000010100010110001100010000000000000000000000000000000	25-01-161241
CCC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)C(=N)C3=NC4=C(N3)CN(C4)C(=C)C5=CN=C(C=N5)N6CCN(CC6)C)N	PC-id_154689184	551.292	DGIUOXCIKWFDFY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161242
CC1(C2=C(CN1C(=O)NC(CCN(C)C)CC3CCOCC3)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_153631918	551.322	APCAVHFCFJLABS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161243
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)OCC)I)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758640	551.341	COHWBNZOKUOWBK-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161244
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCC2)c1C(=O)OC)C1CC1	PC-id_20176834	551.443	ZZYZJFVVOZRSPN-UHFFFAOYSA-N	00100010100000000001100010000000000000000000000000000000	25-01-161245
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)F)C(=O)Nc1c(c(ncc1)C(C)F)F	PC-id_134599098,SCHEMBL20253002	551.469	YEUWBWMGLLYAMS-PIJUOVFKSA-N	00001010100000101001100010000000000000000000000000000000	25-01-161246
Brc1ccc(OCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)cc1	PC-id_21166666	551.476	MLENGNZJFVZHBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161247
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_17304798	551.476	KDVSXYRAPLMITF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161248
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)C)cc1	PC-id_19637843	551.476	BVXNEAVHHURACU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161249
Brc1cc(CC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)ccc1	PC-id_24946258,SCHEMBL3484962	551.478	POOLRNBIKPVMHM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161250
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-4813929706	551.536	BYYIOBKXNHNZCM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161251
FC(F)(F)c1ccc(N2CCC(N(C3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C(=O)[O-])CC2)cc1	SCHEMBL6010902,PC-id_69635445	551.538	MOVZZYZYBPYSLR-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-161252
CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)sc2CCCc12	EMOLS-id_327937941,MCULE-7217961368	551.564	WDXSNYSKABZTOU-FGZHOGPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161253
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2ncccc2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524048	551.564	HWTJTEMIKVSFOF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161254
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C(=O)OC	PC-id_19658229	551.568	FNSSCXVDQDGRDQ-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161255
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C(=O)OC	PC-id_73632739	551.568	FNSSCXVDQDGRDQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161256
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=Cc1cccc(c1)c1ccc(cc1)C(F)(F)F	SCHEMBL1006810	551.576	ZOYSCSVXSNXWBW-HAVVHWLPSA-N	00000010100000110000100010000000000000000000000000000000	25-01-161257
S(=O)(=O)(n1c2CCC(=Cc3cc(ccc3)c3ccc(cc3)C(F)(F)F)c2cc1C(=O)OC)c1ccc(cc1)C	PC-id_66874589	551.576	ZOYSCSVXSNXWBW-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-161258
C#CCCCC(=O)Oc1cc(OC(=O)C2CCn3c2ccc3C(=O)c2ccccc2)cc(c1)OC(=O)CCCC#C	PC-id_140930777	551.586	ZXQGHDTXDZSQGB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161259
s1c2c(CCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_4092068	551.589	ZMGZLNBHHASCBO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161260
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(C(C1)Cc1ccc(cc1)C(c1ccccc1)(OC)OC)C(=O)O	PC-id_89437158	551.591	AELVWZHGELITHE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161261
COC(c1ccccc1)(c1ccc(cc1)COC(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])OC	PC-id_69481720,SCHEMBL5544102	551.591	OTCBPHGBJVIGJA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161262
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2csc(c2C1=O)NC(=O)CN1CCOCC1)OC	SCHEMBL15300598,PC-id_89836955	551.632	ZQBKNXVHFQBZNI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161263
O(CCC1NCCC1)c1ccc(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1	PC-id_68443364,SCHEMBL2925730	551.636	KWDQSFXLKWGMPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161264
O(CCN1CCCC1)c1ccc(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1	PC-id_10166179,SCHEMBL2921481	551.636	KWRLVNJNGUIBKR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161265
C[C@@H](c1ccc(cc1)C(F)(F)F)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170942,SCHEMBL19772115	551.644	BYBHXNUJUONDDO-FXIRQEPWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161266
C[C@H](c1ccc(cc1)C(F)(F)F)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772228,PC-id_134171048	551.644	BYBHXNUJUONDDO-YAOANENCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161267
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(ccc1)C(F)(F)F	PC-id_134170914,SCHEMBL19772086	551.644	HLSUJLORVMWOHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161268
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)C(F)(F)F	SCHEMBL19772147,PC-id_134170972	551.644	UUGYXQLADHMATQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161269
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18368109	551.644	UUGYXQLADHMATQ-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-161270
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cccc(c1)C(F)(F)F	SCHEMBL18379130	551.644	HLSUJLORVMWOHX-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-161271
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4cccc(c4)C(F)(F)F)Cc3s2)cc1	BindingDB-id_722727,PC-id_145713301,BindingDB_PC-id_145713301	551.644	HLSUJLORVMWOHX-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161272
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)cc1	SCHEMBL16224784,BindingDB-id_722721,BindingDB_PC-id_87056362	551.644	UUGYXQLADHMATQ-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161273
CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)cc1	SCHEMBL19772047,BindingDB-id_722823,BindingDB_PC-id_134170876,PC-id_134170876	551.644	GCZKEOPBFRXPQO-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161274
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@H](N(C2)Cc1ccc(cc1C)C(F)(F)F)C(C)C	SCHEMBL18368092	551.644	PMLILZKEVQJUGR-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-161275
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@H](N(C2)[C@@H](c1ccc(cc1)C(F)(F)F)C)C(C)C	SCHEMBL18368088	551.644	BYBHXNUJUONDDO-VOIUYBSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161276
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@H](N(C2)[C@H](c1ccc(cc1)C(F)(F)F)C)C(C)C	SCHEMBL18368094	551.644	BYBHXNUJUONDDO-UPCLLVRISA-N	00000010100000110001000010000000000000000000000000000000	25-01-161277
CC(COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1	BindingDB_PC-id_44324524,CHEMBL89936,PC-id_44324524	551.677	PLOHSNLFBXLCDT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161278
Cc1nnc(o1)c1ccc(cc1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772023,PC-id_134170853	551.68	CGYKBGMTANZQOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161279
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)c1nnc(o1)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18367993	551.68	CGYKBGMTANZQOD-VWLOTQADSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161280
CC(C)C1c2c(CN1Cc1ccc(cc1)c1nnnn1C)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170761,SCHEMBL19771929	551.684	PZVWTRMECGOHKS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161281
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)c1n[nH]nn1	SCHEMBL19771894,PC-id_134170727	551.684	ZAFZARNYUZEWTB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161282
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)c1nnn[nH]1	SCHEMBL18367926	551.684	ZAFZARNYUZEWTB-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161283
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)c1nnnn1C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18367995	551.684	PZVWTRMECGOHKS-DEOSSOPVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161284
S(=O)(=O)(C(c1n2N=C(C(C)(C)C)/C(=N/c3c(cc(N(CCNS(=O)(=O)C)CC)cc3)C)/c2nn1)CC)C	PC-id_60126424	551.725	CAGVYIVFQFKIEX-QOMWVZHYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161285
CC(C)[C@@H]1c2c(CN1Cc1ccccc1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	SCHEMBL19772251,PC-id_134171071	551.763	ZRTONQPRVRSZMR-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161286
Clc1ccc(cc1)S(=O)(=O)c1cc(n2c1sc(=CN(C)C)c2=O)C(=O)c1ccc(cc1)Br	EMOLS-id_43900539,MCULE-7163216529	551.86	JEDKXUTWJZUAHO-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161287
CN(C)/C=c/1sc2c(S(=O)(=O)c3ccc(Cl)cc3)cc(C(=O)c3ccc(Br)cc3)n2c1=O	ZINC22_3333321	551.86	JEDKXUTWJZUAHO-PDGQHHTCSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161288
Clc1c(NC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(c1)C(F)(F)F	PC-id_5278859	551.945	LEAOSIKRYXABLS-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-161289
Clc1c(NC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc(c1)C(F)(F)F	PC-id_78381707	551.945	LEAOSIKRYXABLS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161290
C1CC2=NC(=C(N2C1)C(=O)NCC3=CC(=C(C=C3)N4CCN(C=N4)S(=O)(=O)C(F)(F)F)F)Br	PC-id_165126503	552.02	LIRHUXAMBJPOPC-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-161291
Ic1c(C(=O)Nc2sc3CCCc3c2C#N)cc(Br)cc1Br	PC-id_4511427	552.022	YOYKXZNPUZTHRZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161292
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3Cl)F)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-3683371413,CoCoCo_2661183,PC-id_4524671,EMOLS-id_22699912	552.041	CQNWONSUBZMYQC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161293
CN(C)CCCNc1cc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCC3)cc1S(=O)(=O)N1CCOCC1	PC-id_44324378,CHEMBL91099,BindingDB_PC-id_44324378	552.109	PFHXSFJOUIDXJN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161294
CCN1C(=C2CCCC2=C1C(=O)O)C(C3=C(C=C(C=C3C)Br)C)C4=C5CCCC5=C(N4CC)C(=O)O	PC-id_155195630	552.162	UFSJOGDOMNHYTH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161295
CC1(CCC(CC1)CC(=O)OC)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C(=C4)F)F)F)Cl	PC-id_164985654	552.164	KXVWDPWPJZVIKQ-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161296
C1CN(CCC1C2=NC(=CC=C2)OCC3=C(C=C(C=C3)Cl)F)CC4=NC5=C(N4CC6CCO6)CC(=C5)C(=O)O	PC-id_165036928	552.194	QIFZJSBXTYGRAN-UHFFFAOYSA-N	00001011100010111001100010000000000000000000000000000000	25-01-161297
C1CO[C@@H]1CN2C3=C(C=C(C3)C(=O)O)N=C2CN4CCC(CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)Cl)F	PC-id_165021448	552.194	QIFZJSBXTYGRAN-QFIPXVFZSA-N	00001011100010111001100010000000000000000000000000000000	25-01-161298
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)N4CCC(CC4)C5=CC(=C(C=C5)C(F)(F)F)Cl	PC-id_151769622	552.212	RSHVTKSXQUEDHW-CALCHBBNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161299
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)CC5=CN(N=C5)C	PC-id_164942133	552.26	DOWSVIMEVYTICU-FNORWQNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161300
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-1524926019	552.428	NMWOZRBVOZPAPS-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161301
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-6921927174	552.428	LIDYGMBEVDQDEQ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161302
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-3620143211	552.428	SJHUWLAFFBPDQB-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161303
COC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18758703	552.468	LEZWNLWDRPFYQG-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-161304
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1ccc(cc1Br)C(C)(C)C)C(=O)OC	MCULE-4053639781,PC-id_19202148	552.478	QUUZEZOSWAZEPF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161305
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(CO)(F)F)C	SCHEMBL18758597	552.493	JAWFVDLLIVNZLA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161306
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(CO)(F)F)C	SCHEMBL18758497	552.493	JAWFVDLLIVNZLA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161307
CCOC(=O)n1nc2c(c1NC(=O)C1(CC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	PC-id_140883024	552.526	QBYBCYYYBXVLGH-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-161308
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1c(ccc(c1)Cl)Cl	SCHEMBL19772069,PC-id_134170897	552.536	YYQPGJIGNAUSSY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161309
CCS(=O)(=O)c1cc(c(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)Cl)Cl	SCHEMBL19772170,PC-id_134170991	552.536	GXUUQSMXIAACRX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161310
CCS(=O)(=O)c1cc(c(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Cl)Cl	PC-id_134166986,SCHEMBL19767326	552.536	GXUUQSMXIAACRX-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161311
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cc(Cl)ccc1Cl	SCHEMBL18379010	552.536	YYQPGJIGNAUSSY-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-161312
CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24751475,SCHEMBL4287215	552.544	JSTXJRJLAUGJBD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161313
CN1CCN(CC1)c1ccc(c(c1)C(F)(F)F)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	SCHEMBL4281404,PC-id_24751474	552.544	GHOXODMOOYSAPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161314
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCC(CC1)NC(=O)OC1CCN(CC1)c1ccc(cc1)C(F)(F)F	PC-id_91240023	552.546	MUWIXFRZKQLVEB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161315
FC(F)(F)c1ccc(N2CCC(N(C3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C(=O)O)CC2)cc1	PC-id_69635436,SCHEMBL6010895	552.546	MOVZZYZYBPYSLR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161316
FC(F)(F)c1ccc(N2CCC(N(C3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C(=O)O)CC2)cc1	SCHEMBL6010905,PC-id_69635449	552.546	MOVZZYZYBPYSLR-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161317
FC(F)(F)c1ccc([N+]2(CCC(N(C3CCNCC3)C(=O)[O-])CC2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_77713010	552.546	ZZSFPAJEDYJIKA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161318
FC(F)(F)c1ccc([N+]2(CCC(N(C3CCNCC3)C(=O)[O-])CC2)C[C@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	SCHEMBL6010886,PC-id_69635426	552.546	ZZSFPAJEDYJIKA-DVQBNEFSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161319
O=C(OC1CCN(CC1)c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)C[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_140519110	552.546	MUWIXFRZKQLVEB-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161320
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NC(=O)c1ccccn1	SCHEMBL1372561,PC-id_57749885	552.552	OYJXINIFDJTDFO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161321
CCCCC1=C(CCNC1)/C(=C(/Br)C)/CNC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCC2	PC-id_138564880,SCHEMBL20922461	552.567	RZXNOIVQXZQCAA-CAPFRKAQSA-N	00000010100011000000000010000000000000000000000000000000	25-01-161322
Brc1cccc(n1)OCCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(C)C	SCHEMBL12747724,PC-id_58201340	552.58	OQJQCWVSPGWRDB-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-161323
CCOC(=O)c1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408628253	552.586	VIHGUOGQVVJSIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161324
COC(=O)c1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408622719	552.586	QTTQIKAAGVCCFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161325
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)CC=C)C(=O)OC	PC-id_21164462	552.589	JIMGPBDTHPFCKM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161326
CCCCOP(OCc1ccc(cc1)Nc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)OCCCC	SCHEMBL13659062,PC-id_70962457	552.598	GATQCTVYEHPAAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161327
CC(C)C1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)NC	PC-id_87056601	552.632	IKNYWDFPBBIVFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161328
C[C@H](c1cnc(cc1)C(F)(F)F)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170764,SCHEMBL19771932	552.632	QGAUBGPSVBEARK-NKTHEXPSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161329
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(nc1)C(F)(F)F	PC-id_134170958,SCHEMBL19772131	552.632	YBWACSFRGDIDQC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161330
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(ncc1)C(F)(F)F	PC-id_134170814,SCHEMBL19771982	552.632	VNRZBDAQAWLJCG-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161331
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(nc1)C(F)(F)F	SCHEMBL18378965	552.632	YBWACSFRGDIDQC-HSZRJFAPSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161332
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccnc(c1)C(F)(F)F	SCHEMBL18368100	552.632	VNRZBDAQAWLJCG-HSZRJFAPSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161333
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(nc1)C(F)(F)F	SCHEMBL18367946	552.632	XTHGYTUORCSTTE-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161334
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)nc1	BindingDB_PC-id_145713362,PC-id_145713362,BindingDB-id_722802	552.632	ACRDGRSPWWAGLF-HSZRJFAPSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161335
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cn4)C(F)(F)F)Cc3s2)cc1	BindingDB-id_722731,BindingDB_PC-id_145713305,PC-id_145713305	552.632	GLHFTMMASRFVME-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161336
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(nc4)C(F)(F)F)Cc3s2)cc1	PC-id_145713344,BindingDB-id_722777,BindingDB_PC-id_145713344	552.632	YBWACSFRGDIDQC-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161337
CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)nc1	BindingDB-id_722830,BindingDB_PC-id_145713378,PC-id_145713378	552.632	MPXFVMNYLYRJHZ-QFIPXVFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161338
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F	PC-id_134170762,SCHEMBL19771930	552.632	ACRDGRSPWWAGLF-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161339
CNS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F	SCHEMBL16224755	552.632	IKNYWDFPBBIVFC-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161340
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@@H](N(C2)[C@@H](c1ccc(nc1)C(F)(F)F)C)C(C)C	SCHEMBL18368012	552.632	QGAUBGPSVBEARK-CMJOXMDJSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161341
O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1sc2c(n1)[C@@H](N(C2)[C@H](c1ccc(nc1)C(F)(F)F)C)C(C)C	SCHEMBL18368015	552.632	QGAUBGPSVBEARK-WNSKOXEYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161342
S(=O)(=O)(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C(=O)OCC)C1)c1ccc(cc1)C	PC-id_71654958	552.645	QTCZYBRNOGNTAT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161343
CC(CN(Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(cc1)F)CCC2)CC(O)C)O	PC-id_23107251,SCHEMBL269538	552.66	IDGHJQMQSLCULQ-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161344
CC(CN(Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1cccc(c1)F)CCC2)CC(O)C)O	PC-id_23107979,SCHEMBL266023	552.66	MQXXWLBJTZPCKB-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161345
s1c2c(CCC2)c(c1NC(=O)c1cc(CN(CC(O)C)CC(O)C)ccc1)C(=O)NN=Cc1ccc(F)cc1	PC-id_66639485	552.66	IDGHJQMQSLCULQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161346
s1c2c(CCC2)c(c1NC(=O)c1cc(CN(CC(O)C)CC(O)C)ccc1)C(=O)NN=Cc1cc(F)ccc1	PC-id_66637708	552.66	MQXXWLBJTZPCKB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161347
c1(NC(=O)c2ccccc2C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	ZINC22_2747034,PC-id_3690395,TIMTEC505217,EMOLS-id_4995673,MCULE-4718488736	552.662	VNHXBCFUZGHLFS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161348
s1c2c(CCC2)c(c1NC(=O)c1ccc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1)C(=O)OCC	PC-id_4347673	552.662	UCYQROFVVYIFPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161349
s1c2c(CCC2)c(c1NC(=O)c1cc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1)C(=O)OCC	PC-id_4155513	552.662	BCDIZEZEOIMFKK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161350
N1(CC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)F)SC1=S	PC-id_73468658,MCULE-8756951451	552.663	BJVPHZQFBSNYAO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161351
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884061	552.663	BJVPHZQFBSNYAO-JAIQZWGSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161352
O=C(Nc1c2N(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCn2nc1)NCCNC(=O)OC(C)(C)C	PC-id_21904466,SCHEMBL5498645	552.667	SHFFNWVDPPQLMI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161353
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)Nc1cc(ccc1)NC(=O)c1ccc(cc1)N)C	PC-id_137509843,SCHEMBL20754697	552.67	AIHFNLIHPLQTFK-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161354
s1c2CCC(C(=O)N3CCN(CC3)C(c3ccccc3)c3ccccc3)c2nc1NC(=O)c1ccc(OC)cc1	PC-id_44041380	552.686	OYXCHAYYWSKQGC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161355
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC=C)C(=O)OCC	PC-id_17307433	552.708	RLPDABHAMJOLMZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161356
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)CN1CCOCC1)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302950,SCHEMBL19920668	552.973	XKOCMBRSUJLQAP-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-161357
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(nc(cc1)N1CCOCC1)Cl)C	SCHEMBL1374680,PC-id_87235434	552.981	MEQGNHFAAYIZFM-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-161358
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc(F)c1	PC-id_19640785	553.069	MUJFUHQXFSWJMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161359
Clc1ccc(OCC(=O)Nc2sc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1	PC-id_24134093	553.074	KPLLFRTYFDNWNN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161360
Brc1cc(Br)c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(Br)c1	MCULE-9747400404,EMOLS-id_328218234	553.084	INEIHPPUGMNPGV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161361
N#Cc1c(NC(=O)c2cc(c(cc2Cl)NCCC[NH+](C)C)S(=O)(=O)N2CCOCC2)sc2c1CCC2	GD-id_ZINC26645649	553.117	PFHXSFJOUIDXJN-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-161362
C[C@@]1(CN2C=CN=C2O1)COC3=CC=C(C=C3)N4CCN(CC4)CC=C(C5=CC=C(C=C5)Br)[N+](=O)[O-]	PC-id_154456925	553.132	IHYALYLWXZWXQJ-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161363
CC1CCC(C1NS(=O)(=O)C2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278654	553.156	AVWYHXYNQCYWGM-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-161364
Cc1c(n2CCCc2c1C(=O)C(=O)NC(CCF)(CCF)c1n[nH]nc1)C(=O)Nc1c(c(ncc1)C(F)F)F	PC-id_163756515	553.186	LUNCBMPGBIGAKE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-161365
c1(NC(=O)COc2cccc(c2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2c(CCC2)c1C#N	EMOLS-id_323168876,MCULE-9812824238	553.476	IADWRZZZWQSNTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161366
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408618572	553.478	KZTINUUHQZREQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161367
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408629837	553.478	IUVSFSCFEIZTFF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161368
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408617207	553.478	IRVIIWGTTHLEHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161369
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408577317	553.478	YKGVYAQZYTXDTC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161370
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408614244	553.478	ADJRJEKAVLIDDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161371
COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408563782	553.478	PRYVOFYHGQIENV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161372
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408574702	553.478	KCTOXJSGXJUKHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161373
COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408563495	553.478	AMXFVESZVYCJMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161374
COC(=O)c1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408630108	553.478	NTMRALXRVJLFQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161375
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_17267705	553.481	DWMCTDYATOXJLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161376
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc(Cl)cc1	PC-id_21167091	553.481	SDBZPQVWNFQMRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161377
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)ccc1)C(=O)OC	PC-id_19661515	553.501	DOUBHXGZYPHVNB-BRJLIKDPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161378
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)ccc1)C(=O)OC	PC-id_73635947	553.501	DOUBHXGZYPHVNB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161379
Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1	PC-id_139507420,BindingDB-id_980752,SCHEMBL21378283	553.504	HVELDAQNDJQPBF-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-161380
Brc1cc(c(OCCCCCC)cc1)C(=O)NC(=S)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_17343633	553.532	XOVIZLJWJDBDFN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161381
Brc1c(OCCCCCC)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_4959742	553.532	GZADBXAYXOYLNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161382
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCCC)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_18848997,MCULE-6869651332	553.541	IBYYYKGSJFPNMK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161383
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-9291034566	553.552	CLKMEZGMAZPQAB-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161384
FC(F)(F)c1ccc([N+]2(CCC(N(C3CCNCC3)C(=O)O)CC2)C[C@]2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_69635427	553.554	ZZSFPAJEDYJIKA-DVQBNEFSSA-O	00000010100010110001100010000000000000000000000000000000	25-01-161385
FC(F)(F)c1ccc([N+]2(CCC(N(C3CCNCC3)C(=O)O)CC2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1	PC-id_77713011	553.554	ZZSFPAJEDYJIKA-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-161386
S(=O)(=O)(c1c(c2ccc(CN3NC(c4[nH]n(c(=O)c34)Cc3cc(ccc3)C#N)C(F)(F)F)cc2)cccc1)C	PC-id_74047560	553.555	TZUUNYIOMBKFNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161387
FC(F)(F)c1ccc(C(CN(C2CCN(CC2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C(=O)O)C(C)(C)C)cc1	PC-id_77712866	553.574	UDOSHWAQZVNJNK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161388
FC(F)(F)c1ccc(CCN(C2CCN(C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)OC(C)(C)C)cc1	PC-id_69635123,SCHEMBL6010603	553.574	ADGSSCNWLCVJQQ-VWLOTQADSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161389
FC(F)(F)c1ccc(CCN(C2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)C(=O)OC(C)(C)C)cc1	PC-id_77712864	553.574	ADGSSCNWLCVJQQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161390
FC(F)(F)c1ccc([C@@H](CN(C2CCN(CC2)CC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)C(=O)O)C(C)(C)C)cc1	PC-id_69635127,SCHEMBL6010606	553.574	UDOSHWAQZVNJNK-VGOKPJQXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161391
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2n(ccc2)C)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524093	553.58	FZKIFMXDCGOLFZ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161392
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_19661542	553.602	BTQMIUBUYLYJLH-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161393
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_73635974	553.602	BTQMIUBUYLYJLH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161394
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_19658207	553.602	JUNRMMORVKEBKC-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161395
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_73632719	553.602	JUNRMMORVKEBKC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161396
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccc(F)cc2)cc1)C)C(=O)OCC	PC-id_4113635	553.602	DNUYSQFZBXFQIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161397
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccc(F)cc2)cc1)C)C(=O)OCC	PC-id_9647726	553.602	DNUYSQFZBXFQIU-WCMJOSRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161398
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2c(F)cccc2)cc1)C)C(=O)OCC	PC-id_4126336	553.602	AYUDCEHKUPMQER-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161399
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2c(F)cccc2)cc1)C)C(=O)OCC	PC-id_9648434	553.602	AYUDCEHKUPMQER-WCMJOSRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161400
C1Cn2c(c(cn2)N(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)/C(=N/C(=O)O)/NC(=O)O)N1	SCHEMBL4193629,PC-id_136350080	553.612	CQMHVJJWTAETTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161401
CC(C)C1c2c(CN1Cc1ccc(cc1)OC(F)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134171049,SCHEMBL19772229	553.617	MFXYXBTWXYKKSR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161402
CC(C)C1c2c(CN1Cc1c(cc(cc1)OC(F)F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134171062,SCHEMBL19772242	553.617	WFQBOYOXNDLPEN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161403
CC(C)[C@@H]1c2c(CN1Cc1c(cc(cc1)OC(F)F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772234,PC-id_134171054	553.617	WFQBOYOXNDLPEN-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161404
CC[C@@H]1c2nc(sc2CN1[C@@H](c1ccc(cc1)OC(F)(F)F)C)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368089	553.617	NONTYMSIBKEGHT-FOIQADDNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161405
CC[C@@H]1c2nc(sc2CN1[C@H](c1ccc(cc1)OC(F)(F)F)C)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368095	553.617	NONTYMSIBKEGHT-MGPUTAFESA-N	00000010100000110001000010000000000000000000000000000000	25-01-161406
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)OC(F)(F)F)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368093	553.617	MFXYXBTWXYKKSR-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161407
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(nn1)C(F)(F)F	SCHEMBL18367952	553.62	MGVQQDYLUVPAMJ-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161408
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1nccc(n1)C(F)(F)F	SCHEMBL18368097	553.62	VCLVKHJPCNROHH-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161409
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)Cc1cnc(nc1)C(F)(F)F	SCHEMBL18367944	553.62	VFXNLVSOFGEAAK-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161410
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4cnc(nc4)C(F)(F)F)Cc3s2)cc1	PC-id_145713298,BindingDB_PC-id_145713298,BindingDB-id_722725	553.62	ASCOJPWFWIOXPF-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161411
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19767333,PC-id_134166993	553.62	DSIKLCTWJATEAH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-161412
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cn1)C(F)(F)F	SCHEMBL18368018	553.62	CFINDWPZAJOQQA-QFIPXVFZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-161413
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(nc1)C(F)(F)F	SCHEMBL18367956	553.62	DSIKLCTWJATEAH-QFIPXVFZSA-N	00000010100000101001000010000000000000000000000000000000	25-01-161414
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)C(F)(F)F	PC-id_134170898,SCHEMBL19772070	553.62	VRUJUEWWXPLOHU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161415
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18367973	553.62	VRUJUEWWXPLOHU-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161416
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18367979	553.62	VRUJUEWWXPLOHU-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161417
CCS(=O)(=O)c1cnc(nc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)C(F)(F)F	SCHEMBL19772065,PC-id_134170893	553.62	DESBKJOTAXOBSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161418
CCS(=O)(=O)c1cnc(nc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F	SCHEMBL18367959	553.62	DESBKJOTAXOBSM-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161419
s1c2c(CCC2)c(c1NC(=O)c1ccc(nc1)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C(=O)OCC	PC-id_5142773	553.65	WVMFFDUVLFSQBG-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-161420
s1c2c(CCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1)C(=O)OCC	PC-id_3299326	553.65	YDEQOUFDILMVQC-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-161421
O(C(=O)CCN(CCCC)c1ccc(/N=C/c3n(nc(n3)C(CNC(=O)CCC(=O)OC)C)N=C2C)cc1)CC	PC-id_18737222	553.653	GFGJZFJRSYNJIZ-URGPHPNLSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161422
CCS(=O)(=O)c1ccc(cc1)CNC(c1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C(F)(F)F)O	PC-id_134170998,SCHEMBL19772177	553.66	WKLLRHJLCPQLCE-UXMRNZNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-161423
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(C#N)c(OC)n2)cc1	PC-id_145713338,BindingDB-id_722770,BindingDB_PC-id_145713338	553.696	QKPCCRHXCZYPFN-GKVSMKOHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161424
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCCc1ccccc1	PC-id_44053876	553.696	PSUDCKMKZXATHP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161425
Cc1ncc(cn1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC1CCCC1	SCHEMBL19772210,PC-id_134171030	553.739	KZGKXBJDEIFPHF-MHZLTWQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-161426
CC(C)[C@H]1c2c(CN1Cc1cnc(cc1)N)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCC1	SCHEMBL19772167,PC-id_134170989	553.739	QTZFUEWERIHUGC-MHZLTWQESA-N	00001010100000111001000010000000000000000000000000000000	25-01-161427
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)NC(C(C)C)CC(O)(C)C	SCHEMBL19536473	553.758	LIAZKVCJXKYCJZ-UHFFFAOYSA-N	00001010100000000001000010000000000000000000000000000000	25-01-161428
CCCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817155	553.768	YMHKHCGGELRKHZ-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161429
CC(CC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C	PC-id_140817152	553.768	KAURGULSHHSCHL-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161430
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N[C@@H](c1ccccc1)COC(=O)C(C)(C)C	PC-id_140817134	553.768	CQYUXRVTKHDTGC-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161431
COc1nc(C)cc(c1CN1CCc2c1c(C)c(s2)CC1CCC(CC1)SCC(n1nccc1C)CN)C	SCHEMBL21441657,PC-id_139563589	553.825	BXLFXBWTTGLBEY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161432
Clc1ccc(C(=O)Oc2c(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cccc2)cc1	PC-id_4126145	554.014	URWAJQSQMHUYCC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161433
Clc1ccc(C(=O)Oc2c(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cccc2)cc1	PC-id_9648412	554.014	URWAJQSQMHUYCC-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161434
Clc1c(C(=O)Oc2c(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cccc2)cccc1	PC-id_19661080	554.014	GMCPHYGYQNCVIS-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161435
Clc1c(C(=O)Oc2c(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cccc2)cccc1	PC-id_73635524	554.014	GMCPHYGYQNCVIS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161436
CC1CCC(N1S(=O)(=O)NC2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(CO)O	PC-id_155278839	554.151	AAJCMDSNDZGMRL-UHFFFAOYSA-N	00000010100000101000000010000000000000000000000000000000	25-01-161437
C1Cc2c(c(c(n2C1)C(C(=O)NC1(CCC(CC1)CC(=O)O)C=N)O)Cl)C(=O)Nc1cc(c(c(c1)F)F)F	PC-id_164003471	554.154	UKYUONQNDDMZNK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161438
Cc1c(n2CCCc2c1C(=O)NC1=CC(=C(C(C1)F)F)F)C(=O)C(=O)NC1(CC(C1)(F)F)C1=CN(NN1C)C	PC-id_163817610	554.206	NSQWJTLIEOLTEW-UHFFFAOYSA-N	00001011100011000001100010000000000000000000000000000000	25-01-161439
CC1=NN2CCN(C2=C1C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)CCCOS(=O)(=O)C	PC-id_160694934	554.22	XTAHSZSEMSMCHP-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-161440
Brc1ccc(cc1)/C=C/CN1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_11238244,SCHEMBL2095684	554.436	XXAOXAMKHQXLIE-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161441
Brc1ccc(cc1)/C=C/CN1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_11284309,SCHEMBL2093282	554.436	XXAOXAMKHQXLIE-NSCUHMNNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161442
Brc1ccc(cc1)C=CCN1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_67274828,SCHEMBL2091846	554.436	XXAOXAMKHQXLIE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161443
Brc1ccc(cc1)/C=C/CN1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL2091840,PC-id_11410291	554.436	XXAOXAMKHQXLIE-HPHQOREJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161444
Brc1ccc(C=CCN2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274827	554.436	XXAOXAMKHQXLIE-SANMLTNESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161445
Brc1ccc(C=CCN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67275563	554.436	XXAOXAMKHQXLIE-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161446
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)F)C(=O)Nc1cccc(c1F)C(F)F	PC-id_134599087,SCHEMBL20252988	554.444	ZNKLCWVQHUYRSZ-LLVKDONJSA-N	00001010100000110001100010000000000000000000000000000000	25-01-161447
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-2615273465	554.444	GQCQKXISLDKJRM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161448
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-8243614031	554.444	PYRGNJKAKRTJEX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161449
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-8512923048	554.444	DWHPQNWBZSLRDU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161450
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(Cc3cccc(c3)C(F)(F)F)CC(n2nc1C(F)(F)F)C)C	PC-id_138705442,SCHEMBL21081608	554.484	VILNWNKLDNSQOC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161451
COC(=O)Cc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18758442	554.484	WYAODAQHRPSKRT-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161452
COC(=O)Cc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758590	554.484	ULKBTTSASMXUIA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161453
Br/N=c/1\n(CC(=O)c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc2n1CC(C2)OCc1ccccc1	SCHEMBL14369197	554.518	NWBNATATJCZYDE-TVKQRKNISA-N	00000010100000110001000010000000000000000000000000000000	25-01-161454
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1cc2CC(Cn2c1=NBr)OCc1ccccc1	PC-id_89316887	554.518	NWBNATATJCZYDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161455
CCOC(=O)n1nc2c(c1NC(=O)C([Si](C)(C)C)(C)C)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	PC-id_140882986	554.541	JGXFZZARKWZSJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161456
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NC(=O)c1cccn1C	PC-id_57749855,SCHEMBL1371665	554.568	LZCKLFSCGHWTLG-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161457
Fc1cc(c(N2CCC(CC2)CNC(=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)C(=O)N2Cc3n(ncc3C2)C)cc1)C#N	SCHEMBL8221812,PC-id_57984820	554.57	SGFIMNIKNJOWNI-JWQCQUIFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161458
Fc1cc(c(N2CCC(CC2)CNC(=O)[C@H](OC(=O)C)C(OC(=O)C)C(=O)N2Cc3n(ncc3C2)C)cc1)C#N	SCHEMBL14452908,PC-id_58923075	554.57	SGFIMNIKNJOWNI-IKOFQBKESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161459
Fc1cc(c(N2CCC(CC2)CNC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)N2Cc3n(ncc3C2)C)cc1)C#N	PC-id_76696111	554.57	SGFIMNIKNJOWNI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161460
COC1CC(C=CC1(c1cc(c(c(c1)OC)O)OC)O)C(C(CO)C1c2cocc2CO1)(O)Oc1ccccc1	PC-id_89839275,SCHEMBL15303902	554.585	OXECCTKSJWQYAJ-UHFFFAOYSA-N	00000010100011110000100010000000000000000000000000000000	25-01-161461
CCOC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)sc2c1CCC2	MCULE-7493696966,ZINC22_103124052,EMOLS-id_43705363,PC-id_4676799,CoCoCo_2864364	554.593	UEHUEPQFOKDPRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161462
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(nc1)OC(F)(F)F)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368072	554.605	QGHKCNSVOVYAMQ-JOCHJYFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161463
s1c2c(CCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_21164358	554.605	UFMDBLPAOPIGTL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161464
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CC1)CN1CCOCC1)C	SCHEMBL18729939	554.658	YZIWYJAAMXYXEF-HHHXNRCGSA-N	00100010100010110001100010000000000000000000000000000000	25-01-161465
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(CC1)CN1CCOCC1)C	SCHEMBL18729940	554.658	YZIWYJAAMXYXEF-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-161466
S1Cc2c(nn(c2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053540	554.658	JELNSBUGXMYDCM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161467
CN[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1CCC[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)C	SCHEMBL12442251,PC-id_68265240	554.699	IDDGDCWQFVGZTQ-AMZDPNTKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161468
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(NC)C)C(C)(C)C)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_77445136	554.699	IDDGDCWQFVGZTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161469
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC=C)C(=O)OCC	PC-id_19639304	554.724	MIDSGJUZQVNCQD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161470
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC=C)C(=O)OC	PC-id_17255026	554.724	ZTJUIJZGIFTRQM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161471
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC=C)C(=O)OCC	PC-id_17305212	554.724	UQLHRZSNEPDBGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161472
CC(C)[C@H]1c2c(CN1Cc1cnc(nc1)N)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCC1	PC-id_134170793,SCHEMBL19771961	554.727	LSQZSNUTRPKJFG-VWLOTQADSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161473
N1(CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2cccs2)SC1=S	MCULE-8537064471,PC-id_73468650	554.727	OKLUJCCBIKTWOG-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-161474
s1c2c(CCC2)c(c1NC(=O)CCN1C(=O)/C(=C/c2sccc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884053	554.727	OKLUJCCBIKTWOG-UNOMPAQXSA-N	00000010100100101001000010000000000000000000000000000000	25-01-161475
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)N2CC(F)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134285190,SCHEMBL19900898,BindingDB-id_799320	554.921	XBSJKNUYDORBDL-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-161476
Clc1c(C(=O)NC(CCSC)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)ccc([N+](=O)[O-])c1	EMOLS-id_43785805,PC-id_4369755,MCULE-8564541238	555.024	HBIUPKDYUWEDAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161477
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_98359675,CoCoCo_3121833,ZINC22_102754503	555.024	HBIUPKDYUWEDAQ-HNNXBMFYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161478
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_98359676,ZINC22_102754504,CoCoCo_3121832	555.024	HBIUPKDYUWEDAQ-OAHLLOKOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161479
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Cl)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6706871352,PC-id_24223626	555.065	OBZVWTIZDLUSRZ-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-161480
CC[C@H](CC1CCN(CC1)c1ncc(cn1)Cl)CCOc1ccc(c(c1)F)CC(=O)N1Cc2c(C1)nc([nH]2)C	SCHEMBL19722789	555.087	AXEBTENJCMIQLN-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161481
CC(C#CC#CC#CC#CC#CC#CC#CC#CC#C)N1C(=O)c2c(sc(c2C1=O)Br)Br	PC-id_89969244,SCHEMBL15472947	555.196	IEKPTPJXGUTIAX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161482
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N5CCC(CC5)C	PC-id_164942114	555.296	FBPZZBOULHOZFW-FNORWQNLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161483
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)F)C(=O)Nc1c(c(ncc1)C(F)F)F	PC-id_134586577,SCHEMBL20238906	555.432	NWCWKHIJEKDBDZ-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-161484
Cc1c(n2C[C@@H](Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)c1n[nH]nc1)F)C(=O)Nc1c(c(ncc1)C(F)F)F	PC-id_134302946,SCHEMBL19920664	555.432	NWCWKHIJEKDBDZ-SNVBAGLBSA-N	00001010100000101001100010000000000000000000000000000000	25-01-161485
Fc1ccc(C2C(OC(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C)CN(C2)C(=O)c2n[nH]c3c2CCC3)cc1	PC-id_11249874	555.487	FWUYKXAEYHIOBO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161486
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_17266340	555.497	UMGYBWQFWIXEOH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161487
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc(Cl)cc1	PC-id_17306487	555.497	NEBKWPZQMJECOB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161488
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)ccc(Cl)c1	PC-id_17306873	555.497	VFOMIPXMHSBJGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161489
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)ccc(Cl)c1	PC-id_19633052	555.497	NLLLUWOMXLFBFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161490
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)cc(Cl)cc1	PC-id_19638193	555.497	LRJIEBQDCXIRAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161491
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)cc(Cl)cc1	PC-id_21166980	555.497	GHXKONNLLCYBKY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161492
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_20122897	555.497	WSFFVCRXVLODLW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161493
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCc2oc(cc2)C(=O)OC)cc1)C(=O)OC	PC-id_19658728	555.556	IHRUOMYZHLHXDR-KKMKTNMSSA-N	00000010101000110000000010000000000000000000000000000000	25-01-161494
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCc2oc(cc2)C(=O)OC)cc1)C(=O)OC	PC-id_73633229	555.556	IHRUOMYZHLHXDR-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-161495
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCCC)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_18849012,MCULE-5303329608	555.557	OBNOPRXSSAMJDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161496
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-3125698806	555.601	XOKBJAFVMONNFU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161497
CC(C)[C@@H]1c2c(CN1Cc1c(cc(cc1)C(F)(F)F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134167019,SCHEMBL19767359	555.608	MNZCESAFAVSWPR-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161498
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2sccc2)cc1)C)C(=O)OCC	PC-id_5063853	555.623	YJBNTFAAMHJVOI-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-161499
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2sccc2)cc1)C)C(=O)OCC	PC-id_9605963	555.623	YJBNTFAAMHJVOI-CCVNUDIWSA-N	00000010100100110000000010000000000000000000000000000000	25-01-161500
CN1CCN(CC1)c1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	PC-id_68989810,SCHEMBL4291336	555.624	HRJYHFRONHVWRC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161501
C1Cn2c(c(cn2)N(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)C(NC(=O)O)NC(=O)O)N1	PC-id_136350078,SCHEMBL4193624	555.628	HLSDHMNSIAKRMB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161502
O=C(NCC(c1nc2n(N=C(C2=Nc2ccc([N+]3(C(C3)C#N)CC)cc2)C)n1)C)CCCOc1ccc(OC)cc1	PC-id_59912345	555.651	RSOQYQMEAOMDGZ-UHFFFAOYSA-O	00100011100000110001100010000000000000000000000000000000	25-01-161503
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1ccc(OC)cc1	PC-id_44053588	555.669	QDSQJJWMCYJUCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161504
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCCc2ccccc2)cc1	PC-id_44053781	555.669	OZKBRBAEWKMOGK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161505
O=CN(c1nccc(c1CO)c1cc(Nc2cc(C)nc(n2)C)c(=O)n(c1)C)CCn1c(C)cc2c1CC(C2)(C)C	SCHEMBL21018132,PC-id_138649765	555.671	SNYGPTKKZQACOS-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-161506
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)C(C)(C)C)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_5057831,CoCoCo_2661146,EMOLS-id_22699846,MCULE-3995962257	555.712	HPRWDPJVTRBDMH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161507
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661298,MCULE-3665736104,EMOLS-id_22700108,PC-id_5121656	555.712	VUWPCFCHABGASF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161508
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4071625,MCULE-1727100566,EMOLS-id_22700166,CoCoCo_2661335	555.712	BWLRJQDJAKQNIO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161509
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CC1CCCC1	SCHEMBL19772216,PC-id_134171036	555.727	DMVKXHKCSNZMNJ-MHZLTWQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-161510
CCCCCCCCCCCCCCCc1nn2c(/c/1=Cc1ccc(s1)N(CCCC)CC)nnc2COC	SCHEMBL12559697,PC-id_57866884	555.861	KOMDGDLKCUZCCY-FVDSYPCUSA-N	00000000100100000001000010000000000000000000000000000000	25-01-161511
s1c(C=c2c(nn3c2nnc3COC)CCCCCCCCCCCCCCC)ccc1N(CCCC)CC	PC-id_76646451	555.861	KOMDGDLKCUZCCY-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-161512
Clc1cc(C(=O)Oc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)ccc1	PC-id_19658337	555.987	RVPWJBXWACGSOB-XODNFHPESA-N	00000010100000110000000010000000000000000000000000000000	25-01-161513
Clc1cc(C(=O)Oc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)ccc1	PC-id_73632847	555.987	RVPWJBXWACGSOB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161514
Clc1c(C(=O)Oc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cccc1	PC-id_4165340	555.987	PEYNCDGKPSRIRJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161515
Clc1c(C(=O)Oc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cccc1	PC-id_9650640	555.987	PEYNCDGKPSRIRJ-XODNFHPESA-N	00000010100000110000000010000000000000000000000000000000	25-01-161516
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OCc1ccc(cc1)Cl)C(=O)OC	PC-id_73550128,MCULE-4236852226	556.027	GZJNFFAAFUVORL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161517
Clc1ccc(COc2c(OC)cc(/C=C/C(=O)Nc3sc4c(C(CC4)C(=O)OC)c3C(=O)OC)cc2)cc1	PC-id_19169424	556.027	GZJNFFAAFUVORL-NTUHNPAUSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161518
Clc1ccc(COc2c(OC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_4380076	556.03	WHPDNSQLTAIDMO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161519
Clc1ccc(COc2c(OC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1	PC-id_9659952	556.03	WHPDNSQLTAIDMO-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161520
Clc1ccc(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)cc1	PC-id_5006934	556.03	ACLMABDSYMSKCZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161521
Clc1ccc(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)cc1	PC-id_9688498	556.03	ACLMABDSYMSKCZ-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161522
Clc1cc(COc2c(OCC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_3650717	556.03	WNGUIMWELWQXBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161523
Clc1cc(COc2c(OCC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc1	PC-id_9629587	556.03	WNGUIMWELWQXBB-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161524
Clc1c(COc2c(OC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_4323850	556.03	NJHKVKUJDVSSED-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161525
Clc1c(COc2c(OC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_9657661	556.03	NJHKVKUJDVSSED-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161526
Clc1c(COc2c(OCC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_4408036	556.03	SUANFSGEFCPBCA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161527
Clc1c(COc2c(OCC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cccc1	PC-id_9669201	556.03	SUANFSGEFCPBCA-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161528
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)cccc1	PC-id_4255688	556.03	AASYFSUUAKDJIR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161529
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)cccc1	PC-id_9655092	556.03	AASYFSUUAKDJIR-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161530
Clc1c(OCc2cc(ccc2OC)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_19661058	556.03	SERLPJMPQWPLPP-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161531
Clc1c(OCc2cc(ccc2OC)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_73635503	556.03	SERLPJMPQWPLPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161532
CCOC(=O)c1c(NC(=O)COC(=O)C=Cc2c(C)nn(c2Cl)C2CCS(=O)(=O)C2)sc2c1CCC2	MCULE-3881646765,EMOLS-id_43770692,PC-id_5224220	556.051	AIQWLWZZXQEVAO-UHFFFAOYSA-N	00000010100000000001100010000000000000000000000000000000	25-01-161533
CCOC(=O)c1c(NC(=O)COC(=O)/C=Cc2c(C)nn(c2Cl)[C@@H]2CCS(=O)(=O)C2)sc2c1CCC2	CoCoCo_3063077	556.051	AIQWLWZZXQEVAO-WBTMPAOCSA-N	00000010100000000001100010000000000000000000000000000000	25-01-161534
CCOC(=O)c1c(NC(=O)COC(=O)/C=Cc2c(C)nn(c2Cl)[C@H]2CCS(=O)(=O)C2)sc2c1CCC2	CoCoCo_3063079	556.051	AIQWLWZZXQEVAO-DANTVBBOSA-N	00000010100000000001100010000000000000000000000000000000	25-01-161535
CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)sc2c1CCC2	CoCoCo_3063076,ZINC22_3365675,PC-id_2483403	556.051	AIQWLWZZXQEVAO-NPQIQWPPSA-N	00000010100000000001100010000000000000000000000000000000	25-01-161536
CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)sc2c1CCC2	CoCoCo_3063078,PC-id_2483409,ZINC22_3365678	556.051	AIQWLWZZXQEVAO-HSBSLETESA-N	00000010100000000001100010000000000000000000000000000000	25-01-161537
Clc1n(nc(c1/C=C/C(=O)OCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C)C1CS(=O)(=O)CC1	PC-id_6306418	556.051	AIQWLWZZXQEVAO-BQYQJAHWSA-N	00000010100000000001100010000000000000000000000000000000	25-01-161538
CC1=NC2=C(S1)C(=NC2CC(=O)N3C[C@@H](C[C@H]3C(=O)CC4=C(C(=CC=C4)C5=CC=CC=C5Cl)F)F)C(=O)N	PC-id_160689139	556.115	RPEICCYBNMLNHF-XGNLNOIOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161539
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(S2)[C@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_155005555	556.204	ULKLETNQLQFNKB-BPOAOHNVSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161540
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(S2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_155005556	556.204	ULKLETNQLQFNKB-AJPKXHFHSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161541
CC[S@](=N)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602971	556.215	DHVXPXLRTXCADL-HORQYXGOSA-N	00000010100010101000000010000000000000000000000000000000	25-01-161542
CC[S@@](=N)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602987	556.215	DHVXPXLRTXCADL-BSDRVAGVSA-N	00000010100010101000000010000000000000000000000000000000	25-01-161543
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N5CCN(CC5)C	PC-id_164942141	556.291	PEAFNVQCCBVUAW-FNORWQNLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161544
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)CO)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20539124,PC-id_135360732	556.457	MCXRAALCXZRLBN-UWBLVGDVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161545
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OC(F)(F)F)C	SCHEMBL18758438	556.457	XTUNEPBHBSVCMV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161546
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F)C	SCHEMBL18758519	556.457	DMFKTEGKFDEACU-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161547
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(O)cc(c1)C(F)(F)F)C	SCHEMBL18758749	556.457	MMTOYKQNUBBWIL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161548
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(O)cc(c1)C(F)(F)F)C	SCHEMBL18758747	556.457	MMTOYKQNUBBWIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161549
OCC1CN(c2n1nc(c2C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740329	556.457	MCXRAALCXZRLBN-FVRDMJKUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161550
OCC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758613	556.457	XPGLTIKLKYNHNV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161551
OC[C@@H]1CN(c2n1nc(c2C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740325	556.457	MCXRAALCXZRLBN-UGSOOPFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161552
OC[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758611	556.457	XPGLTIKLKYNHNV-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161553
Brc1c(OCc2ccccc2)c(OC)cc(/C=C/C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_1679373	556.468	ZCTCAFZUTBVOME-OUKQBFOZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161554
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-5465819077,PC-id_5015382	556.468	ZCTCAFZUTBVOME-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161555
Clc1c(OCCCc2oc(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc(Cl)c1	PC-id_60146438	556.482	XIGZSGGGXJMKJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161556
C1CN(CCC1c1c(c(c(cc1)F)F)C(F)(F)F)C(=O)c1nn(c2c1CNC2)C(=O)N1CCN(CC1)C(=O)O	SCHEMBL20589484,PC-id_137363290	556.485	LQHKOALDLVAYMH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161557
C1CN(CCC1c1c(c(c(cc1)F)F)C(F)(F)F)C(=O)c1n[nH]c2c1CN(C2)C(=O)N1CCN(CC1)C(=O)O	PC-id_137363291,SCHEMBL20589485	556.485	RJPJZIQQBVWTOV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161558
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCC4)c3C(=O)OC)cc2)ccc1Cl	PC-id_19678695	556.505	HGHKNCDFAJSPPN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161559
FC(F)(F)c1ccc(/C=C/CCN2CCC(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278850	556.576	VUKUBFGIKWKESV-QPUFUIIDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161561
FC(F)(F)c1ccc(C=CCCN2CCC(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_78381701	556.576	VUKUBFGIKWKESV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161562
S(=O)(=O)(c1c(N/N=C/C(=Nn3nc(nc23)C(C)(C)C)C(C)(C)C)n(nc1)c1c(cc(cc1)C(=O)O)C(=O)O)C	PC-id_21026772	556.594	VLXDUGMZZZJDNO-YUMHPJSZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161563
S(=O)(=O)(c1c(NN=C2C(=Nn3nc(nc23)C(C)(C)C)C(C)(C)C)n(nc1)c1c(cc(cc1)C(=O)O)C(=O)O)C	PC-id_73734487	556.594	VLXDUGMZZZJDNO-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161564
C#CCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434170,PC-id_87243083	556.612	CPWTXOOVYPXYKZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161565
C#CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434168	556.612	CPWTXOOVYPXYKZ-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161566
O(CCCC(=O)NCC(c1nc2n(n1)N=C(C2=Nc1ccc(N(CCC#N)CC)cc1)C)C)c1ccc(OC)cc1	PC-id_18737224	556.659	XSEFLXDWSXSTOJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161567
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)OCCc1ccccc1	EMOLS-id_328221047,MCULE-7272519390	556.672	XDBGFVGRAVRUEG-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-161568
CO[C@@H]([C@@H](C(=O)N1CCC[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)NC(=O)[C@@H](NC)C)C	SCHEMBL12442265,PC-id_53374779	556.672	AAZAYQVFJYCJSM-QEUIGEMPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161569
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(NC)C)C(OC)C)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_76026349	556.672	AAZAYQVFJYCJSM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161570
CC(C)(C)c1ccc(cc1)N(C(C(=O)NCCc1cccc(F)c1)c1cccnc1)C(=O)c1nc2CCCc2s1	BindingDB-id_1032179	556.693	ZVTYHVUKDIBGBA-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161571
Ic1n2[C@](C(c3cc(cc(Cl)c3)C(F)(F)F)c3ccc(cc3)C#N)(C(=O)Nc2nc1)C	PC-id_68379056,SCHEMBL12802467	556.707	ZNVHQGWDSQMVIH-UUSAFJCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161572
Ic1n2C(C(c3cc(cc(Cl)c3)C(F)(F)F)c3ccc(cc3)C#N)(C(=O)Nc2nc1)C	PC-id_77492527	556.707	ZNVHQGWDSQMVIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161573
Ic1n2C([C@@H](c3cc(cc(Cl)c3)C(F)(F)F)c3ccc(cc3)C#N)(C(=O)Nc2nc1)C	SCHEMBL12802470,PC-id_68379058	556.707	ZNVHQGWDSQMVIH-DIAVIDTQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161574
OCc1cc(ccc1O)[C@H](NCCCCCCOCCOCc1cccc(c1)NCc1cn2c(n1)SCC2)O	PC-id_140560056	556.717	SMMXSPRLMDBZBD-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161575
CN1CCC(CC1)n1ncc(c1)Nc1nccc(n1)c1ccc(c(c1)C)CN1Cc2c(C1=O)sc(n2)C(C)(C)C	SCHEMBL16794084,PC-id_118139441	556.725	XYSHNKZFGSCSNW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161576
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC)C(=O)OCC	PC-id_19639498	556.74	DCTFTNQHYVJOKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161577
CN(CCN(S(=O)(=O)c1cc(NC2CCC(CC2)O)nc(c1)Nc1nc2c(s1)CCC2)c1ccccc1)C	PC-id_118642011	556.743	DCKXPIBLLFTHHS-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-161578
CN(CCN(S(=O)(=O)c1cc(N[C@@H]2CC[C@H](CC2)O)nc(c1)Nc1nc2c(s1)CCC2)c1ccccc1)C	SCHEMBL17413474	556.743	DCKXPIBLLFTHHS-XUTJKUGGSA-N	00000010100010111001000010000000000000000000000000000000	25-01-161579
FC(F)c1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC(F)(F)C3)c3c[nH]nn3)n3CCCc23)ccc1F	BindingDB-id_980758,PC-id_139507378,SCHEMBL21378236	556.872	XUKFGZBCMOUSTL-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-161580
C=CCOc1c(cc(cc1[Si](C1c2sc(cc2C(=C1C)C)C)(CC)CC)C)c1c(cccc1C(C)C)C(C)C	PC-id_142393877	556.916	DNKFBYDAYKKVAB-UHFFFAOYSA-N	00000011100000110000100010000000000000000000000000000000	25-01-161581
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N1CC(C1)F)C(Nc1cc(c(cc1)F)Cl)O	PC-id_134303076,SCHEMBL19920800	556.937	PLORSNFADLLLJC-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-161582
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2	ZINC22_103114484,PC-id_4851283,MCULE-3447807177,EMOLS-id_43719094,CoCoCo_2908442	557.036	CFYUYVAJPBSRLM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161583
O=C(C(=O)c1c2CCCn2c(c1C)C(=O)Nc1ccc(c(c1)Cl)F)NC1(CC1)c1nnn(c1)C[Si](C)(C)C	PC-id_141687045	557.092	SZHUBHFNJMDOHO-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-161584
Clc1ccc(C(=O)Nc2sc3CCC(C(=O)N4CCN(CC4)C(c4ccccc4)c4ccccc4)c3n2)cc1	PC-id_44041377	557.106	QBZZLLQUCGHJRY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161585
CC1CN(CC(O1)C)CC2=CC=C(C=C2)OCC3=C4CN(C(=O)C4=CS3)[C@@H](CCC(=O)OC(C)(C)C)C(=O)N	PC-id_152681939	557.256	ZNSRUFBAZHIZNG-MORLXBONSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161586
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccc(OC)cc1)CC2=O	PC-id_11519701	557.299	VSQGYFGIGVJPQI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161587
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1cc(OC)ccc1)CC2=O	PC-id_11613763	557.299	SXYYNOHDKISUBJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161588
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(OC)cccc1)CC2=O	PC-id_11577933	557.299	ZEZFOXYIKJSEHW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161589
C(F)(F)(C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C(F)(F)C(F)(F)C(F)(F)F	PC-id_19177856,MCULE-5323839475	557.326	ZMLFRSDHIPJBGF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161590
BrCC1CCC(CC1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18739968	557.403	DEMCDSURWGONJP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161591
BrCC1CCC(CC1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL20539167,PC-id_135360771	557.403	DEMCDSURWGONJP-FHERZECASA-N	00000010100010110001000010000000000000000000000000000000	25-01-161592
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(N)c(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_67238957,SCHEMBL1989534	557.475	QWCVKWGVJYUOPC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161593
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]ccc2)cccc1F)(C)C)c1cc(F)cc(F)c1	PC-id_58524056	557.544	YQFULVUJALYZBA-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161594
CCOC(=O)c1c(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)sc2c1CCC2	ZINC22_408619098	560.684	LZDYACWDPPTUKN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161850
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]ccc2)cc(F)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524037	557.544	ZHJZACYYJZRUNK-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161595
S(=O)(=O)(Nc1cc(c(cc1)C(=O)O)C(=O)O)c1cc(F)c(N/N=C/C(=Nn3nc(nc23)CC)C(C)(C)C)cc1	PC-id_60040751	557.554	BVUTXOZWJWPINB-USHMODERSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161596
S(=O)(=O)(Nc1cc(c(cc1)C(=O)O)C(=O)O)c1cc(F)c(NN=C2C(=Nn3nc(nc23)CC)C(C)(C)C)cc1	PC-id_68366013	557.554	BVUTXOZWJWPINB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161597
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1ccccc1OC(F)(F)F	SCHEMBL1986950,PC-id_24947325	557.567	WYRWIOZSIGOIQF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161598
CC[C@@H]1c2c(CN1Cc1c(cc(cc1)OC(F)(F)F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134167015,SCHEMBL19767355	557.581	RSADRRLRJHNVLA-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161599
CC(C)C1c2c(CN1Cc1cnc(nc1)C(F)(F)F)sc(n2)NC(=O)Cc1c(cc(cc1)S(=O)(=O)C)F	PC-id_134170759,SCHEMBL19771927	557.584	POHJQQNFIYGKOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161600
O=C(Cc1ccc(cc1F)S(=O)(=O)C)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1cnc(nc1)C(F)(F)F	SCHEMBL18367982	557.584	POHJQQNFIYGKOL-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161601
OCC(=O)Nc1cc(ccc1N1CCN(CC1)C)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	PC-id_24751610,SCHEMBL4283418	557.597	GFCKLJPPXFFUSP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161602
CC(C)(c1ccccc1)NC(=O)[N+]1(c2c(ccs2)C(=N1)NC(=O)c1ccccc1NC(=O)c1c[nH]cc1)C(=O)O	PC-id_89723914,SCHEMBL15153353	557.6	RMBJXCJNHVZWCU-UHFFFAOYSA-O	00000011110000110001000010000000000000000000000000000000	25-01-161603
[B]c1nc(ccc1)CCCCCC(C)(Cc1ccccc1)C(=O)N1Cc2c(C1)n(nc2N)COCC[Si](C)(C)C	PC-id_88965117	557.61	YHVSIPAWOSNLQV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161604
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)[C@H]2N(CCC2)C)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524041	557.612	ZTAXPYCYTDRIEE-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161605
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-4858060878	557.617	JVULPZHXRRUCDL-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161606
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)CNC(=O)OC1CN(C1)C)C	PC-id_140904833	557.619	SOBHKTLPFSJBNI-AREMUKBSSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161607
C=CCOC(=O)n1cc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL15948226	557.64	YLZQQVNMPYZDFC-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161608
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cn(c2c1CN(C2)C(=O)C(c1ccccc1)OC)C(=O)OCC=C	PC-id_90338798	557.64	YLZQQVNMPYZDFC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161609
OCCN(c1cc(ccc1N1CCN(CC1)C)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)C	SCHEMBL4281350,PC-id_24751332	557.64	JWUDTZITNVZBOO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161610
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1ccc(F)cc1	PC-id_44053733	557.66	DLHBOIYUCIQTTQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161611
COc1ccc(c(c1)S(=O)(=O)c1ccccc1F)S(=O)(=O)c1ccc(cc1)[C@@H](N1Cc2c(C1)ccs2)C	PC-id_58589769,SCHEMBL13343219	557.677	PBSZVHMWLBWSPA-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161612
s1c2CN(C(c3ccc(S(=O)(=O)c4c(S(=O)(=O)c5c(F)cccc5)cc(OC)cc4)cc3)C)Cc2cc1	PC-id_76825011	557.677	PBSZVHMWLBWSPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161613
C=CC(=O)Nc1cc2c(s1)CN(C2)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)c1ccccc1	SCHEMBL14055720,PC-id_89237150	557.683	DVDQWDLCRZGVIM-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-161614
c1(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_3588871,EMOLS-id_22701080,MCULE-1050644759	557.685	OUNKWFPCGFYKBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161615
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	MCULE-3842297502,EMOLS-id_22700448,PC-id_4080969,CoCoCo_2661517	557.685	MRAGGOSQFQPXGG-UHFFFAOYSA-N	00000010101010000001100010000000000000000000000000000000	25-01-161616
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2662010,PC-id_98229172	557.685	OUNKWFPCGFYKBP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161617
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98229171,CoCoCo_2662009	557.685	OUNKWFPCGFYKBP-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161618
S1Cc2c(nn(c2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053587	557.685	LXQQEAKIOLWPFM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161619
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)C(F)(F)F	PC-id_134166994	557.692	QNAVDNBVFHSUJY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161620
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(CC1)C(F)(F)F	SCHEMBL19772150	557.692	QNAVDNBVFHSUJY-SGZZBSRVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161621
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CC[C@@H](CC1)C(F)(F)F	SCHEMBL19767334	557.692	QNAVDNBVFHSUJY-QRQCMCJISA-N	00000010100010110001000010000000000000000000000000000000	25-01-161622
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCC(CC1)C(F)(F)F	BindingDB_PC-id_87056363	557.692	QNAVDNBVFHSUJY-MORLXBONSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161623
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](CC1)C(F)(F)F	SCHEMBL18367964	557.692	QNAVDNBVFHSUJY-GLDPYIMESA-N	00000010100010110001000010000000000000000000000000000000	25-01-161624
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)C(F)(F)F	PC-id_134170874	557.692	WYUOOHUAGRHTNP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161625
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(CC1)C(F)(F)F	SCHEMBL19772045	557.692	WYUOOHUAGRHTNP-SCWFAWSGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161626
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CCC(CC1)C(F)(F)F	SCHEMBL19772178	557.692	WYUOOHUAGRHTNP-SGCMCVRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161627
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](CC1)C(F)(F)F	SCHEMBL18367925	557.692	WYUOOHUAGRHTNP-YDHSSHFGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161628
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](CC1)C(F)(F)F	SCHEMBL18367931	557.692	WYUOOHUAGRHTNP-YYDVJCTNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161629
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3s2)cc1	BindingDB-id_722736,SCHEMBL16224748	557.692	QNAVDNBVFHSUJY-JXQFQVJHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161630
CSC1(CCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)COCOC(=O)C(C)(C)C	PC-id_145072781	557.705	OGWWBTAUGMPUKL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161631
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1c(cccc1C(C)C)C(C)C	PC-id_24947326,SCHEMBL1983619	557.73	KASTVHONQQDCNW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161632
CCCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537535	557.748	CUBQBNFIZFBYCZ-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161633
CC(CC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C	SCHEMBL19537537	557.748	SEHLOEYOWYXTEZ-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161634
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)NC(c1ccccc1)COC(=O)C(C)(C)C	SCHEMBL19312213	557.748	OGAXHSRDWHFFKR-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161635
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)N[C@@H](c1ccccc1)COC(=O)C(C)(C)C	SCHEMBL19537436	557.748	OGAXHSRDWHFFKR-OAQYLSRUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161636
F[C@@H]1C[C@H](N(C1)C(=O)CC1N=C(c2c1nc(s2)C)C(=O)N)C(=O)Nc1cccc(c1F)c1ccccc1Cl	SCHEMBL18576546	557.999	BXUIHKKFTAJEJM-WRGHYRGKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161637
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)c(F)ccc1	PC-id_4201959	558.021	HKOBGONROPASTD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161638
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)c(F)ccc1	PC-id_9652928	558.021	HKOBGONROPASTD-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161639
CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C3N(CC(N3N=C2C(F)(F)F)CF)CC4=CC(=CC=C4)C(F)(F)F	PC-id_146952093	558.15	AIXRGUMOSJCSAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161640
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)NC(C)CN(C)C	PC-id_164942119	558.307	RUTNLNZAOPLXHV-VQHVLOKHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161641
n12nc(nc1sc(=Cc1cc(OC)c(c(Br)c1)OC(=O)C)c2=O)C=Cc1ccc(c(OC)c1)OC	MCULE-7615378532	558.401	FQNXDESEPXJRCB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161642
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)CF)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20539486,PC-id_135361041	558.448	AIXRGUMOSJCSAV-PQJIZZRHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161643
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CC(n2nc1C(F)(F)F)CF)Cc1cc(ccc1)C(F)(F)F	PC-id_135361042,SCHEMBL20539487	558.448	AIXRGUMOSJCSAV-FVRDMJKUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161644
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(F)cc(c1)C(F)(F)F)C	SCHEMBL18758570	558.448	ZGNJNUSBTDSQAN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161645
COC(=O)c1ccc(cc1F)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18758437	558.448	QJTJAPNCAVBABN-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161646
COC(=O)c1ccc(c(c1)F)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18758525	558.448	YUKBLBKNSCGZEV-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161647
COC(=O)c1ccc(c(c1)F)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758581	558.448	PLSDNVMWXKBQAZ-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161648
COC(=O)c1ccc(cc1F)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758582	558.448	MVDLXKHWTUYDKS-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161649
FC[C@@H]1CN(c2n1nc(c2C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758668	558.448	AIXRGUMOSJCSAV-SCLBCKFNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161650
CC1(c2c(CN1C(=O)Nc1c(cccc1Cl)Cl)c(n[nH]2)NC(=O)c1ccc(cc1)N1CC[N+](CC1)(C)[O-])C	SCHEMBL1983641,PC-id_87319910	558.46	ZYNGQVQGXVXMPM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161651
ON1CCN(C(C1)C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	PC-id_140546233	558.46	STKDNSBYPBRAOM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161652
Brc1ccc(S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)Nc2sc3c(CCC3)c2C(=O)N)cc1	PC-id_4847838	558.466	RUPRDKAPKWCJPA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161653
CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4959183,ZINC22_102777708,MCULE-3727212608,PC-id_16248208,EMOLS-id_44140359	558.466	RUPRDKAPKWCJPA-SFHVURJKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161654
O=C(Nc1sc2c(c1C(=O)N)CCC2)COC(=O)[C@@H](C(C)C)NS(=O)(=O)c1ccc(cc1)Br	CoCoCo_4959184	558.466	RUPRDKAPKWCJPA-GOSISDBHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161655
OC[C@@H]1CN(c2n1nc(c2C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)C(F)(F)F)CC1=CCCC(=C1)C(F)(F)F	SCHEMBL18758602	558.473	UJGOXEORFIIPBG-UGSOOPFHSA-N	00000010100011110001000010000000000000000000000000000000	25-01-161656
S1Cc2c(nn(c2NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(=O)NCc2ccc(OC)cc2)C1	PC-id_44053562	558.496	NSVIYJRVDZSWSQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161657
Fc1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749861,SCHEMBL1371524	558.532	GYJHEHSPYMJCGP-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161658
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(F)cccc1NC(=O)c1[nH]ccc1	PC-id_16665601,SCHEMBL1370474	558.532	KNMVIAHFTMQLAQ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161659
FC(Oc1ccc(cc1)C=CCC1CCN(CC1)c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	PC-id_141261272	558.549	JVBOZAFLCWSANH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161660
C[C@@H]1CN([C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)OCC(F)(F)F)C)CCCOC	PC-id_135331973,SCHEMBL20503392	558.572	HPQAVQJTTFEWSN-HUUCEWRRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-161661
COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C	BindingDB-id_546094,PC-id_25159112,BindingDB_PC-id_25159112,SCHEMBL3326801	558.572	HPQAVQJTTFEWSN-CABCVRRESA-N	00000010100010100001000010000000000000000000000000000000	25-01-161662
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCOCC1)CN(C2(C)C)C(=O)OC(C)(C)C	PC-id_57703907,SCHEMBL4288108	558.584	BALGRWWIFFQHJS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161663
O=C(NC(Cc1ccc(NC(=O)c2c(OC)cccc2OC)cc1)C(=O)O)C1n2c(nnc2Cc2c[nH]cc2)CC1	PC-id_11548564	558.585	FNJLAGDOVGENJS-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161664
Brc1c2n(CCC2C(=O)OCCCCCCCCCCCC)c(c1CCCC)C(=O)c1ccccc1	SCHEMBL11004278,PC-id_20405001	558.59	RHNXUISWDJHLIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161665
Brc1ccc(C(=O)c2n3c(C(CC3)C(=O)OCCCCCCCCCCCC)cc2CCCC)cc1	SCHEMBL11601290,PC-id_20351591	558.59	MWSKVGPHARSXCV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161666
CN1CCCC1C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_143485316	558.6	XEHJVHKTVQFYPB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161667
CN1CCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749860,SCHEMBL1371289	558.6	XEHJVHKTVQFYPB-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161668
CC(C)(c1ccccc1)NC(=O)C1(c2c(N(N1)C(=O)O)scc2)NC(=O)c1ccccc1NC(=O)c1c[nH]cc1	PC-id_89723911,SCHEMBL15153350	558.608	XIIYDORWVHPJMB-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161669
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1	ZINC22_103102287,PC-id_4831713,CoCoCo_2952407,MCULE-7947455599,EMOLS-id_43732898	558.623	ZGLQTHYVUUYHJF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161670
C=CCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030813,SCHEMBL1433966	558.628	DTKVJBYAAWBHAZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161671
C=CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433964,PC-id_67030811	558.628	DTKVJBYAAWBHAZ-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161672
C#CCOC(=O)[N+]1(N=C(c2c1scc2)NC(=O)c1ccc(cc1)N1CCOCC1)C(=O)N(c1ccccc1)CC	SCHEMBL15153404,PC-id_89723953	558.628	MIWXENDXYXFTNZ-UHFFFAOYSA-O	00000011100010110001100010000000000000000000000000000000	25-01-161673
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_4174746,MCULE-8970817842,EMOLS-id_11051772	558.63	NRBJWVYEMNOXAL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161674
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_4430346,EMOLS-id_22699854,MCULE-4332697616,CoCoCo_2661150	558.63	SOXVQKGXNFVLPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161675
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)sc2c1CCC2	PC-id_97991746,CoCoCo_2661884,ZINC22_98049628	558.63	NRBJWVYEMNOXAL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161676
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)sc2c1CCC2	ZINC22_98049627,PC-id_97991745,CoCoCo_2661883	558.63	NRBJWVYEMNOXAL-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161677
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)C	PC-id_68984423,SCHEMBL4279867	558.643	DOLYGLJLTKZXBS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161678
CCC(C)OC(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccc(cc1)CN1CCCC1)occ2)C(=O)N(CC)c1ccccc1	PC-id_89724000,SCHEMBL15153471	558.648	ANYXEIXZISIHSJ-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-161679
CCN(c1ccccc1)C(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccc(cc1)CN1CCCC1)occ2)C(=O)OC(C)(C)C	SCHEMBL15153354,PC-id_89723915	558.648	OAEUVMRPMLZYGP-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-161680
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408630177	558.666	OUHGGJHMATVGIU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161681
CCOC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408606646	558.666	LEVQXDLGSFLNNA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161682
COC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408624795	558.666	URVCPPFNUWVULX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161683
N#Cc1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)sc2c1CCC2	ZINC22_103057108,EMOLS-id_43790325,CoCoCo_3138283,PC-id_16341038,MCULE-3521690862	558.67	BRXWRMWEUYBQMD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161684
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC=C)C(=O)OCC	PC-id_17267614	558.67	RMIKRHXYPWVTRG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161685
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(cc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC	PC-id_90338750,SCHEMBL15948166	558.671	IHZTZMHFLWUZMV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161686
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C)NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)C	PC-id_68443542,SCHEMBL2926181	558.671	HGBKLDQGBUILDV-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161687
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C(C)C)cc2)C(=O)OCC)C1)C(c1ccccc1)C	PC-id_21873994	558.671	HGBKLDQGBUILDV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161688
C/C=CC(=C/C=C/C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N1CCN(CC1)C)NC(=O)C=C	PC-id_145111609	558.675	OGFNRIRPICNGOM-LGPUCPBLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161689
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CCC(NC1)C(F)(F)F	PC-id_134170701,SCHEMBL19771868	558.68	ATFSVOIZDROWHS-JVPSVYLMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161690
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(NC1)C(F)(F)F	PC-id_134170928,SCHEMBL19772101	558.68	ATFSVOIZDROWHS-WMAFBANVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161691
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CC[C@H](NC1)C(F)(F)F	SCHEMBL18367886	558.68	ATFSVOIZDROWHS-NYDSKATKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161692
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](NC1)C(F)(F)F	SCHEMBL18367890	558.68	ATFSVOIZDROWHS-LLBVYWAGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161693
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CCC(CC1)C(F)(F)F	SCHEMBL19771926	558.68	NENVZNFZMDABPW-UPDSHLEGSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161694
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](CC1)C(F)(F)F	SCHEMBL18367919	558.68	NENVZNFZMDABPW-QQMNAOGKSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161695
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(CC1)C(F)(F)F	SCHEMBL19771998	558.68	ILQHEWHSSCLWLI-XLLJMHBISA-N	00000010100010101001000010000000000000000000000000000000	25-01-161696
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](CC1)C(F)(F)F	SCHEMBL18367897	558.68	ILQHEWHSSCLWLI-HOIFWPIMSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161697
CCS(=O)(=O)c1cnc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)C(F)(F)F	PC-id_134170829	558.68	ILQHEWHSSCLWLI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161698
s1c2c(CCC2)c(c1NC(=O)c1sc(C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1)C(=O)OCC	PC-id_4357988	558.689	LLMGIOHOCPDWCS-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-161699
NCC(S(=O)(=O)C)N(c1ccc(c(c1)C)/N=C/1c2nc(nn2N=C1C(C)(C)C)C(CNC(=O)C(=O)C)C)CC	SCHEMBL14390467,PC-id_71159060	558.696	YGXAVVVLJLHFKO-ANYBSYGZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161700
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)sc2c1CCC2	ZINC22_103135289,MCULE-7049714815,CoCoCo_2818135,PC-id_5035082,EMOLS-id_43689088	558.709	NAENAHORWCUPSD-UHFFFAOYSA-N	00000010100000110100000010000000000000000000000000000000	25-01-161701
CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(c1)NC(=O)C1CCN(CC1)C)C	PC-id_145111625	558.718	XWHXJBBBRUGRDN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161702
O(C1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C(=O)C1=C(c2n(nc(n2)C(C)(C)C)C1=Nc1c(cc([O-])cc1)C)C#N	PC-id_60036473	558.734	MXAQIOTYRZUQGW-UHFFFAOYSA-M	00000011100010110001000010000000000000000000000000000000	25-01-161703
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1)C)C(=O)OCC	PC-id_23769244	558.736	VJYALIGHCMQEID-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161704
s1c2CCCc2c(c1NC(=O)CSc1sc(SCC(=O)Nc2sc3CCCc3c2C#N)nn1)C#N	PC-id_3555591	558.742	OXTCHXBTAMHXTG-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-161705
CC(C)[C@H]1c2c(CN1CC1CCNC(=O)C1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(C)C1CCC1	SCHEMBL19772174,PC-id_134170995	558.756	OMFXJDZTPFAIBU-KBVTYMBASA-N	00001010100010110001000010000000000000000000000000000000	25-01-161706
s1c2c(CCC2)c(c1NC(=O)CCCCCCCCC(=O)Nc1sc2c(CCC2)c1C(=O)NC)C(=O)NC	PC-id_43947626	558.756	OPUJDNCVXZQYIW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161707
c1(C(=O)OC)c2C(CCc2sc1NC(=O)CCCOc1cc(C)c(c(C)c1Br)Cl)C(=O)OC	MCULE-9666780226,PC-id_19205940	558.87	HJCIZPOBMSCJOA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161708
CC(C)[C@H]1c2c(CN1Cc1ncc(cc1)Cl)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CC1CCC1	PC-id_134170784,SCHEMBL19771952	559.143	GLSFWJPJLCKUHE-VWLOTQADSA-N	00001010100000111001000010000000000000000000000000000000	25-01-161709
CC1(CN2C=CN=C2O1)COC3=CC=C(C=C3)N4CCN(CC4)CC(=CC5=CC=C(C=C5)OC(F)(F)F)[N+](=O)[O-]	PC-id_154240536	559.204	HMHNVQGIVLEHKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161710
C[C@@]1(CN2C=CN=C2O1)COC3=CC=C(C=C3)N4CCN(CC4)CC=C(C5=CC=C(C=C5)OC(F)(F)F)[N+](=O)[O-]	PC-id_154456914	559.204	GENWOFLWKRPXGW-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161711
C[C@@]1(CN2C=CN=C2O1)COC3=CC=C(C=C3)N4CCN(CC4)CC(=CC5=CC=C(C=C5)OC(F)(F)F)[N+](=O)[O-]	PC-id_154458376	559.204	HMHNVQGIVLEHKF-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161712
BrC1=CC(=CC(=CNNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)C1=O)Br	PC-id_19660045	559.228	LOZJSHNZXLAUJD-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-161713
CCOC(=O)c1c(sc2c1CCC2)NC(=O)C(=O)N/N=C/c1cc(cc(c1O)Br)Br	PC-id_135554238	559.228	XXFFSASEUAGSGE-GZIVZEMBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161714
CCCCCC(N1C(=O)c2c(C1=O)c(sc2I)I)CCCCC	PC-id_101962222	559.244	UKLHUBMFJMTJQF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161715
C/C=C/C(=O)NC1=CC(=C(C=C1)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4)OC	PC-id_164942118	559.291	ASVOMRAHAIUGRF-GULCCPCXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161716
C/C=C/C(=O)NC1=C(C=C(C=C1)C(=O)NC2=NNC3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4)OC	PC-id_164942121	559.291	XURBFZJWVYVSDR-GULCCPCXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161717
N/N=C/1CC(c2c1c(Br)sc2Br)NC(=O)CN1CCN(CC1)Cc1ccccc1F	BindingDB_PC-id_57340819	559.293	NDMCLOYIGVYROV-CVKSISIWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161718
NN=C1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12	PC-id_57340819,BindingDB-id_198552	559.293	NDMCLOYIGVYROV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161719
Brc1c(OC)c(C=CC(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)N)cc(Br)c1	PC-id_4505180	559.295	JHOQZAASCPVSDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161720
COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCC2	PC-id_6132251,ZINC22_109573910	559.295	JHOQZAASCPVSDB-AATRIKPKSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161721
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(=O)CCC4CCC(CC4)C5=CC(=C(C=C5)C)C(F)(F)F	PC-id_148498883	559.302	MKGGKWLPQGVHEY-OIRDZHBESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161722
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)COc1ccc(cc1)Br	MCULE-7344837806	559.412	BZYZYIHDUVQVMD-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161723
Cc1c(n2CC(Cc2c1C(=O)C(=O)NC1(CC(C1)(F)F)/C(=C/NN)/N)F)C(=O)Nc1c(c(ncc1)C(F)F)F	PC-id_134302964,SCHEMBL19920682	559.464	CQGNCTFRXPZFBN-ACAGNQJTSA-N	00001010100000101000000010000000000000000000000000000000	25-01-161724
CN=C(c1sc(c2c1CCC2)C(=O)NC1CCC(=O)CC1)C[C@](C(F)(F)F)(c1cc(Cl)cc(c1)Cl)C	PC-id_118048868	559.471	GUMUEVAQVUKJQR-VWLOTQADSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161725
C/N=C(/c1sc(c2c1CCC2)C(=O)NC1CCC(=O)CC1)C[C@](C(F)(F)F)(c1cc(Cl)cc(c1)Cl)C	SCHEMBL16683407	559.471	GUMUEVAQVUKJQR-HBBBGIDPSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161726
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c(OCCc2ccccc2)cc1	PC-id_17046623	559.495	XAQZMZDPQODTJX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161727
Brc1c(OCCc2ccccc2)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)c1	PC-id_17072980	559.495	ZRQRBDMWOSQFMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161728
FC(F)(F)Oc1ccc(/C=C/CN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_11272959,SCHEMBL1047862	559.537	WZGKANMGWUJLBT-NSCUHMNNSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161729
FC(F)(F)Oc1ccc(/C=C/CN2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_11341967	559.537	WZGKANMGWUJLBT-HPHQOREJSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161730
FC(F)(F)Oc1ccc(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278879,SCHEMBL1045817	559.537	WZGKANMGWUJLBT-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161731
FC(F)(F)Oc1ccc(C=CCN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_6321024	559.537	WZGKANMGWUJLBT-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161732
FC(F)(F)Oc1ccc(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1045819,PC-id_66887531	559.537	WZGKANMGWUJLBT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161733
FC(F)(F)Oc1ccc(C=CCN2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL1047863,PC-id_66888005	559.537	WZGKANMGWUJLBT-SANMLTNESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161734
FC(F)(F)Oc1cc(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_5278862	559.537	DRSVMEDBDSKTPB-MLQZBXHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161735
FC(F)(F)Oc1cc(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_78381710	559.537	DRSVMEDBDSKTPB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161736
FC(F)(F)Oc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_5278861	559.537	XLTHAIKEVVZBSZ-CKUSHTOWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161737
FC(F)(F)Oc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1	PC-id_78381709	559.537	XLTHAIKEVVZBSZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161738
FC(OC)(N1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)/C(=C/c1ccc(F)cc1)/F	PC-id_46180998	559.537	OFXPOLYNFCAGGT-HAHDFKILSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161739
F[C@@](OC)(N1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)/C(=C/c1ccc(F)cc1)/F	PC-id_46181072	559.537	OFXPOLYNFCAGGT-JJEJNPIHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161740
FC(OC)(N1CCN(CC1)c1ccc(OCC2(Oc3n(C2)cc(n3)[N+](=O)[O-])C)cc1)C(=Cc1ccc(F)cc1)F	PC-id_75164554	559.537	OFXPOLYNFCAGGT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161741
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_18848914,MCULE-9721784803	559.547	YFILFJFPZHBRBB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161742
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/2C(=Nn3c2nnc3C(NCC(=O)O)C)C(C)(C)C)C(=O)O)cccc1	PC-id_21032605	559.555	ULVPVISWMOVVSA-PCLIKHOPSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161743
S(=O)(=O)(O)c1c(n2ncc(c2NN=C2C(=Nn3c2nnc3C(NCC(=O)O)C)C(C)(C)C)C(=O)O)cccc1	PC-id_73735504	559.555	ULVPVISWMOVVSA-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161744
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Nc1c(F)cccc1C(F)(F)F	SCHEMBL3812263,PC-id_24947885	559.558	JCZFXOHPCRSRQL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161745
O=C(C1CCOCC1)Nc1ccccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009936,SCHEMBL1373519	559.585	CLJZHFTVMZACHT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161746
CCCCCCCCCCC(CN1C(=O)c2c(C1=O)csc2I)CCCCCCCC	PC-id_71485556,SCHEMBL16307249	559.587	QVEDCZJIJYNBOF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161747
c1(NC(=O)CCCS(=O)(=O)c2nc(c3cccs3)cc(C(F)(F)F)n2)sc2c(CCC2)c1C(=O)OC	ZINC22_3655108,MCULE-7910827617,TIMTEC25952,GD-id_ZINC03655108,EMOLS-id_7709720,PC-id_4046773,CoCoCo_2005176	559.602	ABGAVMMJBCJHPH-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-161748
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_408615589	559.611	QYNYIDYMSOOXKS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161749
Bc1cccc(n1)CCCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(Cc1ccccc1)C	SCHEMBL12827219	559.626	FNIPWVPXOHAVLH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161750
CNc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C	PC-id_143485319	559.631	CQSMKOLHIDCGBY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161751
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(F)cc2)cc1	PC-id_44053638	559.633	ZAIWATUJJVTFKG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161752
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)N1CCN(CC1)C)(C(=O)NO)S(=O)(=O)C	PC-id_135315527,SCHEMBL20485020	559.635	KZSSSUGUWYNOOD-RUZDIDTESA-N	00100010100010000001000010000000000000000000000000000000	25-01-161753
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)N1CCN(CC1)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20485022,PC-id_135315529	559.635	KZSSSUGUWYNOOD-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-161754
C#CCOC(=O)N1NC(c2c1scc2)(NC(=O)c1ccc(cc1)N1CCOCC1)C(=O)N(c1ccccc1)CC	SCHEMBL15153403,PC-id_89723952	559.636	YAATUQOCMNZASC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161755
CCC(C)OC(=O)N1c2c(C(N1)(C(=O)N(CC)c1ccccc1)NC(=O)c1ccc(cc1)CN1CCCC1)occ2	PC-id_89723997,SCHEMBL15153468	559.656	QHENUZLXDDFVSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161756
CCCOC(=O)n1cc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_89723851	559.656	ZDNPMJUJIOZSIC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161757
CCCOC(=O)n1cc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL15153273	559.656	ZDNPMJUJIOZSIC-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161758
CCN(c1ccccc1)C(=O)C1(c2c(cco2)N(N1)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1)CN1CCCC1	PC-id_89723912,SCHEMBL15153351	559.656	FIECGXPAXLDZRT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161759
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661640,MCULE-6647424472,PC-id_3548926,EMOLS-id_11051456	559.658	WFBVYPVZNWBYPT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161760
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_4446855,EMOLS-id_22699950,MCULE-8552797903,CoCoCo_2661203	559.658	WAOBJDOCJMWJDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161761
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(nn2C)NC(=O)c1c(cc(cc1)NC(=O)C=C)OC)C	SCHEMBL20741169,PC-id_137497905	559.659	XCFYHAGBAZTPGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161762
CC1(c2nn(c(c2CN1C(=O)NC(CN(C)C)c1ccccc1)NC(=O)c1c(cc(cc1)NC(=O)C=C)OC)C)C	SCHEMBL20741188,PC-id_137497924	559.659	SRLFHMFKYFEFPP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161763
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC	PC-id_67030336,SCHEMBL1433167	559.659	DXTLJGHYSNQRFH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161764
COc1cc(NC(=O)C=C)ccc1C(=O)Nc1c2CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C(C)(C)c2nn1C	SCHEMBL17878756,BindingDB-id_989413,PC-id_121444008	559.659	SRLFHMFKYFEFPP-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161765
COc1cc(NC(=O)C=C)ccc1C(=O)Nc1nn(C)c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C	BindingDB-id_989412,PC-id_121444006,SCHEMBL17878752	559.659	XCFYHAGBAZTPGS-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161766
COC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_44518784,SCHEMBL1433164	559.659	JRVBFRBTJUIMFZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161767
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CCC(OC1)C(F)(F)F	PC-id_134170848,SCHEMBL19772018	559.664	ZTWNISFUPULJGP-WMAFBANVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161768
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(OC1)C(F)(F)F	PC-id_134170932,SCHEMBL19772105	559.664	ZTWNISFUPULJGP-JVPSVYLMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161769
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CC[C@H](OC1)C(F)(F)F	SCHEMBL18367895	559.664	ZTWNISFUPULJGP-MONBJTKQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161770
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](OC1)C(F)(F)F	SCHEMBL19767327,PC-id_134166987	559.664	ZTWNISFUPULJGP-WGGBDISSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161771
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CCC(OC1)C(F)(F)F	SCHEMBL18367893	559.664	ZTWNISFUPULJGP-FLOOPIEZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161772
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](OC4)C(F)(F)F)Cc3s2)cc1	PC-id_145713315,BindingDB_PC-id_145713315,BindingDB-id_722745	559.664	ZTWNISFUPULJGP-KLXHUVPASA-N	00000010100010110001000010000000000000000000000000000000	25-01-161773
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@H](OC4)C(F)(F)F)Cc3s2)cc1	PC-id_145713316,BindingDB_PC-id_145713316,BindingDB-id_722746	559.664	ZTWNISFUPULJGP-FOLYQGEWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161774
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CCC(NC1)C(F)(F)F	SCHEMBL19771865,PC-id_134170698	559.668	CMDNEYZKDLMHSV-KATGSKEPSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161775
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(NC1)C(F)(F)F	SCHEMBL19772067,PC-id_134170895	559.668	CMDNEYZKDLMHSV-DMXYAQSFSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161776
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](NC1)C(F)(F)F	SCHEMBL18367870	559.668	CMDNEYZKDLMHSV-MPHOGZCYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161777
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CC[C@@H](NC1)C(F)(F)F	SCHEMBL18367873	559.668	CMDNEYZKDLMHSV-LYLBAIIYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161778
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](NC1)C(F)(F)F	SCHEMBL18367875	559.668	CMDNEYZKDLMHSV-YOMUGFJLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161779
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3598602,CoCoCo_2661700,EMOLS-id_11051552,MCULE-9346514868	559.676	KPBGJJCLKINMDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161780
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4660402,CoCoCo_2661561,EMOLS-id_22700520,MCULE-1673052488	559.676	AQFXQQJPORYVIZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161781
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(c(OC)cc1)CSc1sc(nn1)C)C(=O)OCC	PC-id_4382207	559.681	DNCVHZSBURIJSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161782
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(c(OC)cc1)CSc1sc(nn1)C)C(=O)OCC	PC-id_9660074	559.681	DNCVHZSBURIJSP-OPEKNORGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161783
CN/C(=CC(=Nc1cc(cn(c1=O)C)c1ccnc(c1C=O)N(/N=Cc1c(C=O)sc2c1CC(C2)(C)C)C)N)/C	PC-id_138650477,SCHEMBL21018897	559.682	ZVNOIRJJMNWIBW-BEZKXLCBSA-N	00000010100000101000100010000000000000000000000000000000	25-01-161784
CNC(=O)c1cc2c(n1Cc1nccc(c1CO)c1cn(C)c(=O)c(c1)Nc1nnc(s1)C1CC1)CC(C2)(C)C	PC-id_138650005,SCHEMBL21018383	559.682	SHLTWAODSJGYJD-UHFFFAOYSA-N	00100010100000101001100010000000000000000000000000000000	25-01-161785
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(OC)ccc(c1F)C	PC-id_140882923	559.705	WPJQFQWZJDUMRV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161786
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(Oc1ccccc1)CN1CCC(C1)(F)F	PC-id_140817169	559.723	DSRCAOSSUFLLHG-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161787
CC1CC(C(C(C1)C(C)(C)C)OC(=O)C1=C(c2nc(nn2C1=Nc1c(cc(cc1)O)C)C(C)(C)C)C#N)C(C)(C)C	PC-id_136004651	559.742	MXAQIOTYRZUQGW-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-161788
N#CC1=C(C(=O)OC2C(CC(CC2C(C)(C)C)C)C(C)(C)C)/C(=N/c2ccc(cc2C)O)/n2c1nc(n2)C(C)(C)C	SCHEMBL13568680	559.742	MXAQIOTYRZUQGW-NUDFZHEQSA-N	00000011100010110001000010000000000000000000000000000000	25-01-161789
CCCCCCCCCCCCC(CCCCCCN1C(=O)C(=O)c2c1ccs2)CCCCCCCCCC	PC-id_122363529	559.929	MNNHXXJMUVBSPM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161790
Clc1c(COc2c(OC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(F)ccc1	PC-id_19660419	559.994	UKWGPEHWHCZDLV-XKJRVUDJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161791
Clc1c(COc2c(OC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(F)ccc1	PC-id_73634876	559.994	UKWGPEHWHCZDLV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161792
Clc1ccc(OCC(=O)C(NC(=O)C(NC(=O)C2Cc3c(C(C)(C)C)c[nH]c3C2=O)C(C)C)CC(=O)O)cc1	PC-id_53241314	560.038	RZLYCXIHGNDBNG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161793
CC(C)[C@H]1c2c(CN1Cc1ncc(cn1)Cl)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CC1CCC1	SCHEMBL19772033,PC-id_134170863	560.131	CCGOVILLPKVCLI-DEOSSOPVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161794
CC[C@H]1c2c(CN1Cc1ncc(cn1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCC1	PC-id_134170844,SCHEMBL19772014	560.131	HRIFOEPLNJPBDK-NRFANRHFSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161795
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=CC=C(C=C4)S(=O)(=O)C	PC-id_152816268	560.147	SSLCDHFPUSNEFH-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161796
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=CC(=CC=C4)S(=O)(=O)C	PC-id_161399905	560.147	VUCDMKGBWVNXPE-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161797
CC(C)C(C(=O)NC(CC(=O)[OH2+])C(=O)COc1ccc(cc1)Cl)NC(=O)C1Cc2c(C1=O)[nH]cc2C(C)(C)C	PC-id_163951199	560.216	RZLYCXIHGNDBNG-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-161798
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)COCCOC	PC-id_164129188	560.225	YMEHCNHKIVSASF-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161799
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(F)cccc1)CC2=NO	PC-id_11563107	560.278	CJVIGGWWICKNMN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161800
Fc1ccccc1CN1CCN(CC(=O)NC2CC(N=O)c3c(Br)sc(Br)c23)CC1	PC-id_91899203,BindingDB-id_198548,BindingDB_PC-id_91899203	560.278	KHGIOZDAFCHHFN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161801
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20172731	560.315	DVXKRVPMACUTAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161802
Brc1c(NC(=S)Nc2sc3c(CCC3)c2C(=O)OC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20172976	560.315	FGMKOTXSGZWNMF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161803
CC(C)(C)OC(=O)N1Cc2sc(C(=O)OCc3nc(c4cc(F)c(F)c(F)c4)no3)c(Br)c2C1	ZINC22_2325878447	560.341	PPXWPDNYRXUVOO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161804
C#CCNC(=C)CNC(=O)c1sc(c2c1CCC2)C(=N)C[C@](C(F)(F)F)(c1cc(Cl)c(c(c1)Cl)F)C	PC-id_118048836,SCHEMBL16683359	560.434	ICOSXJABEYEVTI-DEOSSOPVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161805
Clc1c(COc2ccc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_19661575	560.449	WXRSEIVLSMRILX-VFLNYLIXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161806
Clc1c(COc2ccc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_73636006	560.449	WXRSEIVLSMRILX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161807
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)ccc(Cl)c1	PC-id_19661377	560.449	GLGHZRNKEYPFJJ-AMVVHIIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-161808
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)ccc(Cl)c1	PC-id_73635811	560.449	GLGHZRNKEYPFJJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161809
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)c(Cl)ccc1	PC-id_5195109	560.449	QSCIKRQOLGHAOM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161810
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)c(Cl)ccc1	PC-id_9611580	560.449	QSCIKRQOLGHAOM-AMVVHIIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-161811
s1c2c(CCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc(OCC(F)(F)F)c1)C(=O)OC	PC-id_20166374	560.505	SHBMIDUEBIVCKV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161812
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@@]1(CCN(C1)C)F)(C(=O)NOC(=O)C(F)(F)F)S(=O)(=O)C	SCHEMBL20484902,PC-id_135315426	560.518	JCPFPBLLYLNAJI-YADHBBJMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-161813
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCCC)sc2c(CCC2)c1C(=O)NCc1cccnc1	PC-id_18849006,MCULE-2346952031	560.535	BNSWQUSMFXTXQV-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-161814
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/2c3n(N=C2C)c(nn3)C(Nc2cc(ccc2)C(=O)O)C)C#N)cccc1	PC-id_21026769	560.545	WMFCLYZXOPWZIR-RRAHZORUSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161815
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/c3n(N=C2C)c(nn3)C(Nc2cc(ccc2)C(=O)O)C)C#N)cccc1	PC-id_58619893	560.545	WMFCLYZXOPWZIR-VFCFBJKWSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161816
S(=O)(=O)(O)c1c(n2ncc(c2NN=C2c3n(N=C2C)c(nn3)C(Nc2cc(ccc2)C(=O)O)C)C#N)cccc1	PC-id_73734484	560.545	WMFCLYZXOPWZIR-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-161817
O=C(NC(Cc1ccc(NC(=O)c2c(OC)cnn(c2=O)C)cc1)C(=O)O)C1n2c(nnc2Cc2c[nH]cc2)CC1	PC-id_11555888	560.561	URGNCDDGFPCKFA-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-161818
FC(F)(F)c1ccc(COCCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274186,SCHEMBL2088771	560.565	ZOOSDQHNALPCOX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161819
FC(F)(F)c1ccc(COCCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2088765,PC-id_5278913	560.565	ZOOSDQHNALPCOX-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161820
C/N=C/c1nn(c2c1CCC2)CC(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL18853909	560.57	JJFQSVQLVBWLSQ-LLLBGDFKSA-N	00000010100000111001100010000000000000000000000000000000	25-01-161821
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)N1CCOCC1)NC=O)C	PC-id_88940008,SCHEMBL12640394	560.573	OCWYCQUGZGNSER-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161822
CN1CC(C1)Oc1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68985896,SCHEMBL4283349	560.573	QXZXNMNTFAHWCK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161823
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1C(=O)N)N1CCOCC1	PC-id_68983774,SCHEMBL4278038	560.573	MLPXAPOUCLRDIQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161824
s1c2CCC(c2nc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)N1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_44041384	560.588	OVDFPNYMJISYIJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161825
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(OC)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524089	560.613	SWOMEKPQEOCDIM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161826
CN1CCC(CC1)Oc1ccc(c(c1)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68986372,SCHEMBL4284393	560.616	DGURSSMURYVHTA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161827
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1N)OCCN1CCCC1	PC-id_68986460,SCHEMBL4284554	560.616	ZMVBQYCWKBWPKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161828
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)CN1CCOCC1)(C(=O)NO)S(=O)(=O)C	PC-id_135306935,SCHEMBL20475011	560.619	ASQCOBLHKXPFRY-RUZDIDTESA-N	00100010100010000001000010000000000000000000000000000000	25-01-161829
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)CN1CCOCC1)(C(=O)NO)S(=O)(=O)C	SCHEMBL20475012,PC-id_135306936	560.619	ASQCOBLHKXPFRY-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-161830
CCOc1cc(ccc1OC)[C@H](N1C(=O)c2c(C1=O)c(sc2)N(C(=O)C1CC1)C(=O)C1CC1)CS(=O)(=O)C	PC-id_145748105	560.639	JKHHTJAHVBTZBW-GOSISDBHSA-N	00100010100000110000000010000000000000000000000000000000	25-01-161831
CCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433173,PC-id_67030339	560.644	IPHIPFFEFIXROI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161832
CCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030337,SCHEMBL1433170	560.644	IPHIPFFEFIXROI-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161833
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)CC	PC-id_68441088,SCHEMBL2919850	560.644	CRRIRVXAXXHIBD-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161834
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(C(C1)C)C	SCHEMBL2928850,PC-id_68444512	560.644	POEAJWMZETVKLL-NBXNUCLWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161835
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)C)c1ccccc1	PC-id_67030524,SCHEMBL1433483	560.644	JOLNZTKBOLNSHZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161836
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)C)c1ccccc1	SCHEMBL1433478,PC-id_67030521	560.644	JOLNZTKBOLNSHZ-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161837
O(C(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CC(N(CC3)C)C)cc2)C(=O)OCC)C1)c1ccccc1)C	PC-id_21874022	560.644	POEAJWMZETVKLL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161838
O(C(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)CC)cc2)C(=O)OCC)C1)c1ccccc1)C	PC-id_21874030	560.644	CRRIRVXAXXHIBD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161839
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CC[C@H](OC1)C(F)(F)F	PC-id_134170696,SCHEMBL19771863	560.653	XZHUINLRXXDVRL-AEJPEVFXSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161840
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CCC(OC1)C(F)(F)F	PC-id_134170753,SCHEMBL19771920	560.653	XZHUINLRXXDVRL-DMXYAQSFSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161841
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(OC1)C(F)(F)F	SCHEMBL19772072,PC-id_134170900	560.653	XZHUINLRXXDVRL-KATGSKEPSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161842
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](OC1)C(F)(F)F	SCHEMBL18367871	560.653	XZHUINLRXXDVRL-OHEPNIRZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161843
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CC[C@H](OC1)C(F)(F)F	SCHEMBL18367874	560.653	XZHUINLRXXDVRL-MPHOGZCYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161844
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](OC1)C(F)(F)F	SCHEMBL18367876	560.653	XZHUINLRXXDVRL-LYLBAIIYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161845
CC=C(C=CC(=CC)N1CCN(CC1)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(cc(c1)F)F	PC-id_89334923	560.659	NLFDVLSMOXPNSZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161846
C/C=C(/C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C=C/C(=CC)/N1CCN(CC1)C	SCHEMBL14421994	560.659	NLFDVLSMOXPNSZ-KKWADQPASA-N	00000010100010110001000010000000000000000000000000000000	25-01-161847
Fc1c(/N=C/n3c(nnc3C(=C2C)C)C(CNC(=O)C(COc2ccc(cc2)C)C)C)ccc(N2CCOCC2)c1	PC-id_59091109	560.662	CBRIWHIIUNTCKU-RIHQVDFKSA-N	00000011100010110001100010000000000000000000000000000000	25-01-161848
CCOC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408615960	560.684	DHSAJWSLVBIFQX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161849
C/C(=Cc1c(C)nn2c1[nH]c(n2)C(CNc1ccccc1)C)/C=c
/c(C)nn2c1nc(n2)C(CNc1ccccc1)C	SCHEMBL13616158	560.695	BSEFRESBVZZJSI-ZHQMYEQTSA-N	00000000100000110001000110000000000000000000000000000000	25-01-161851
n12[nH]c(c(c1nc(n2)C(CNc1ccccc1)C)/C=C(/C=c/1c2n(nc(n2)C(CNc2ccccc2)C)nc1C)C)C	PC-id_57549115	560.695	OGKWQQZHFZVLQF-ZHQMYEQTSA-N	00000000100000110001000110000000000000000000000000000000	25-01-161852
n12[nH]c(c(c1nc(n2)C(CNc1ccccc1)C)C=C(C=c1c2n(nc(n2)C(CNc2ccccc2)C)nc1C)C)C	PC-id_76562684	560.695	OGKWQQZHFZVLQF-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-161853
CCOc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)c1ccc(SC)cc1	ZINC22_408630901	560.705	XRYAAOIWGTXRTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161854
CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)c2ccc(SC)cc2)cc1	ZINC22_408614987	560.705	KMXWCICILQPCSA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161855
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(OC(C)C)cc2)nn1)C)C(=O)OCC	PC-id_24125688	560.709	QGLJPHXUCZJSEW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161856
c1(NC(=O)CCCCCCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	STOCK7S-63559,EMOLS-id_3738644,SPECS-id_AE-848/12123213,PC-id_3514752,CoCoCo_1721478,ZINC22_8387409,MCULE-8787899342	560.725	AWKSBKXBSLAPLD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161857
s1c2c(CCC2)c(c1NC(=O)CCCCCCCCC(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_4183336	560.725	WEPAAOGSGCFJNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161858
O(OCC1=C(c2n(nc(n2)C(C)(C)C)/C/1=N/c1c(cc([O-])cc1)C)C#N)C1C(CC(CC1C(C)(C)C)C)C(C)(C)C	PC-id_57832387	560.75	RBLYNUCCSCWKLW-OZMGXUMRSA-M	00000011100010110001000010000000000000000000000000000000	25-01-161859
CCO/C=C/C(=O)NC(=O)NC[C@@H]1C[C@@H](c2c1cnn2C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	PC-id_134970996	560.759	KSNXZALSZXJKIZ-HEFFAWAOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161860
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)C(Oc1ccccc1)COCc1ccccc1	PC-id_140817042	560.759	YXWMKKPEIIJIBW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161861
CC1CC(C(C(C1)C(C)(C)C)OOCc1c(c2nc(nn2/c/1=Cc1c(cc(cc1)O)C)C(C)(C)C)C#N)C(C)(C)C	PC-id_136152865	560.77	REWYCZUFSSCRKQ-QRQIAZFYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-161862
CC1CC(C(C(C1)C(C)(C)C)OOCc1c(c2nc(nn2c1=Cc1c(cc(cc1)O)C)C(C)(C)C)C#N)C(C)(C)C	PC-id_136601553	560.77	REWYCZUFSSCRKQ-UHFFFAOYSA-N	00000000100010110001000010000000000000000000000000000000	25-01-161863
CC(Cc1ccc(cc1)Cc1scc(n1)CN(C(C)(C)C)CCn1cccn1)(NCCc1nnc2n1CCC2)C	PC-id_139322903,SCHEMBL21169207	560.8	LLUFCPPCXZOVCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161864
Clc1cc(CN2CCn3c2c(C(=O)NC(c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18739988	560.876	XTXGQNMYLYDWSA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161865
Clc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18739987	560.876	XTXGQNMYLYDWSA-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161866
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)Cl)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740138	560.876	ZQRNTYBFXTVPMJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161867
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)Cl)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740368	560.876	ZQRNTYBFXTVPMJ-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161868
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1C)C	PC-id_19634702	561.116	YSIXDKDASLFIFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161869
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)cc1)C	PC-id_17307211	561.116	FTSGOGSJRFKHDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161870
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)cc1)C	PC-id_20122427	561.116	WDRGCABNUXLENZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161871
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)cc1C)C	PC-id_19641639	561.116	TYEGNCVFCMQHFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161872
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1)C	PC-id_17302772	561.116	VQTTUKQLVUSUFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161873
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)cc(cc1)C	PC-id_19635324	561.116	JJYJDRIVTAPSBP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161874
CCOC(=O)n1c2c(CN(C2)S(=N)(=O)c2cccc(c2)F)c(n1)NC(c1cc(c(cc1)NCNN(C)C)N)O	PC-id_164106487	561.228	XTFNVTCVMRTVNW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161875
Brc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18740294	561.318	GHLJDNLISIHMDC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161876
Brc1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)C	SCHEMBL18740072	561.318	GHLJDNLISIHMDC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161877
N#Cc1nc2n(c1CCCC(I)(F)F)C[C@H](O2)CCc1ccc(cc1)C1(CC1)C(F)(F)C	PC-id_145568362	561.354	PZTBZWXVCOCXSK-QGZVFWFLSA-N	00100010100000110001100010000000000000000000000000000000	25-01-161878
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)N(c1ccccc1Cl)Cl)NC(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_87319836,SCHEMBL1983235	561.374	VIJBMDHNMIVQNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161879
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)[N+](=O)[O-])CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	PC-id_67236871,SCHEMBL1983233	561.374	FZWVVRAVEJQBIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161880
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)C)c2=O)Cc1ccccc1	MCULE-5140965350	561.45	OHBGKHRBQAYQAV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-161881
FC(F)(F)Oc1ccc(CN2CCN(CC2)C(=O)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_69479087,SCHEMBL5534646	561.51	VDVXXFFECKHFAP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161882
FC(F)(F)Oc1ccc(CN2CCN(CC2)C(=O)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5534642,PC-id_69479085	561.51	VDVXXFFECKHFAP-RUZDIDTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-161883
Brc1ccc(c2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_17047706	561.514	TWMHMJASIOSCRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161884
Fc1c(cc(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1)C(F)(F)F	PC-id_5278867	561.528	ISNNUYPNKSOMGB-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161885
Fc1c(cc(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1)C(F)(F)F	PC-id_78381715	561.528	ISNNUYPNKSOMGB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161886
Fc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1C(F)(F)F	PC-id_5278868	561.528	PSQHEOCWTHOSHC-MLQZBXHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161887
Fc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cccc1C(F)(F)F	PC-id_78381716	561.528	PSQHEOCWTHOSHC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161888
CCN(c1ccc(cc1)OC(F)(F)F)C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	PC-id_67275250,SCHEMBL2094109	561.553	DWDDXKDBWWXSCT-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161889
CCN(c1ccc(cc1)OC(F)(F)F)C1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-]	SCHEMBL2094112,PC-id_67275251	561.553	DWDDXKDBWWXSCT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161890
CN(c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CC1CCN(CC1)c1ccc(cc1)OC(F)(F)F	PC-id_5278926,SCHEMBL2089710	561.553	RKDRCKGIRILCCC-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161891
CN(c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CC1CCN(CC1)c1ccc(cc1)OC(F)(F)F	SCHEMBL2089712,PC-id_67274445	561.553	RKDRCKGIRILCCC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161892
COc1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749889,SCHEMBL1371469	561.601	AXWRWHBXVSSZLL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161893
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)O)(C(=O)NOC1CCCCO1)S(=O)(=O)C	SCHEMBL20536943,PC-id_135359107	561.604	AFSIASUIHPEEBL-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-161894
CNCC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N(C)C	SCHEMBL4288017,PC-id_68988232	561.604	XLZOMGZFTXZGMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161895
OC(=O)OCC1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC2CCCCO2)C)CC1	SCHEMBL18730058	561.604	AFSIASUIHPEEBL-UIDYPRJRSA-N	00100010100010000001000010000000000000000000000000000000	25-01-161896
S(=O)(Oc1cc(C(C)(C)C)ccc1C)NCc1n2N=C(C(=Nc3c(cc(N(C)C)cc3)C(F)(F)F)c2nn1)C	PC-id_20725939	561.622	OXECHMUKCKAGKR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161897
OCCCNc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccnc1NCCCO	SCHEMBL1373789,PC-id_67010035	561.629	IQIOMMKHKMKFIV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161898
c1(C(=O)OC)c2C(CCc2sc1NC(=O)COc1c(Cl)c(Cl)c(c(Cl)c1Cl)Cl)C(=O)OC	MCULE-5409875692,PC-id_19178150	561.648	FGAYEMZFCQNARM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161899
CCS(=O)(=O)c1ccc(cc1)C(=C)C(=O)Nc1sc2c(n1)[C@@H](N(C2)Cc1ccc(cc1)OC(F)F)C(C)C	SCHEMBL18367957	561.664	OPPWVGIZZZXQIK-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161900
CO/C(=C/C=C(/Nc1cc(cn(c1=O)C)c1ccnc(c1CO)N(CCn1c(C=O)cc2c1CC(C2)(C)C)C)N)/N	PC-id_138650235,SCHEMBL21018634	561.675	QBMZPWUGWLMEMX-KIDNCOCJSA-N	00000010100000101000100010000000000000000000000000000000	25-01-161901
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1ccccc1C(F)(F)C	PC-id_140883023	561.696	UHMYOVINWDCFRQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161902
S(=O)(=O)(NCC(c1nc2n(N=C(C2=N[N-]c2c([N+]#[C-])cc(S(=O)(=O)N)cc2)C)c1)C)CCCCCCCC	PC-id_57797286	561.7	GOJRAZOIKZFONC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161903
O=Cn1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)NC(c1ccccc1F)CC(O)(C)C	SCHEMBL19542039	561.712	ULBMBYYVIDLKNN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161904
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccc(Cl)cc1)CC2=O	PC-id_11519727	561.718	OPAWFVAKJHLOAN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161905
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1cc(Cl)ccc1)CC2=O	PC-id_11621051	561.718	XHHKWSGVQCZHDX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161906
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(Cl)cccc1)CC2=O	PC-id_11621050	561.718	UQXKTGDHUUPUNC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161907
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1cc(ccc1)C)c1ccccc1)C(=O)OCC	PC-id_17047187	561.718	LKTUKBQPHHDYEG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161908
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccc(cc1)C)c1ccccc1)C(=O)OCC	PC-id_17047764	561.718	BNQGWXDXWIZBDZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161909
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1c(cccc1)C)c1ccccc1)C(=O)OCC	PC-id_17047824	561.718	KJBCITNFGNBDAP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-161910
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(ccc1)S(=O)(=O)C	PC-id_134170974,SCHEMBL19772149	561.736	UROCIMKEIJRLIW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161911
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19772249,PC-id_134171069	561.736	PHPLAQJLEMHIPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161912
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cccc(c1)S(=O)(=O)C	SCHEMBL18378921	561.736	UROCIMKEIJRLIW-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-161913
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18379129	561.736	PHPLAQJLEMHIPG-RUZDIDTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-161914
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_11051724,MCULE-3208183199,PC-id_4361805	561.74	XUHACFOOPSCZBC-UHFFFAOYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-161915
CCCCn1c(nnc1CNC(=O)c1cccs1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662238,PC-id_97991735	561.74	XUHACFOOPSCZBC-HNNXBMFYSA-N	00000010100100000001000010000000000000000000000000000000	25-01-161916
CCCCn1c(nnc1CNC(=O)c1cccs1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_97991736,CoCoCo_2662237	561.74	XUHACFOOPSCZBC-OAHLLOKOSA-N	00000010100100000001000010000000000000000000000000000000	25-01-161917
CC1CC(C(C(C1)C(C)(C)C)OOCC1=C(c2nc(nn2C1=Nc1c(cc(cc1)O)C)C(C)(C)C)C#N)C(C)(C)C	PC-id_135975798	561.758	RBLYNUCCSCWKLW-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-161918
N#CC1=C(COOC2C(CC(CC2C(C)(C)C)C)C(C)(C)C)/C(=N/c2ccc(cc2C)O)/n2c1nc(n2)C(C)(C)C	SCHEMBL13019533	561.758	RBLYNUCCSCWKLW-MJPNWULPSA-N	00000011100010110001000010000000000000000000000000000000	25-01-161919
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(Cl)c(Cl)c1Cl	CHEMBL207167,NSC736215,PC-id_24205597	561.96	UWCUNILLDCVNOO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161920
Clc1ccc(nc1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[C@H]1NC(=O)c1nc2c(s1)C(N(C2)C)(C)C)C(=O)N(C)C	PC-id_67309789,SCHEMBL2186718	562.084	QQDDEZZEFLEJOG-CWRNSKLLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161921
Clc1ccc(nc1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[C@H]1NC(=O)c1sc2c(n1)C(N(C2)C)(C)C)C(=O)N(C)C	PC-id_57804579,SCHEMBL1503728	562.084	OVQSMAOOGHYGLY-CWRNSKLLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161922
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)C(N(C4)C)(C)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_76615200	562.084	OVQSMAOOGHYGLY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161923
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4C(N(Cc4n3)C)(C)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_77264424	562.084	QQDDEZZEFLEJOG-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-161924
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1OC	PC-id_140882968	562.133	ZQVJXWXJUJLXEV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161925
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1cc(OC)ccc1Cl	PC-id_140882917	562.133	HILLHSVBBVTZQT-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-161926
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=C(C=CC(=C4)OC(F)F)C	PC-id_161943581	562.177	YKVNMTAUAFLOQZ-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161927
CC1(CCC(CC1)C(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_165018194	562.205	YVNWNROWCCWKOY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-161928
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)sc2c1CCC2	ZINC22_105305530,PC-id_17314613	562.295	UPBKOEWVVOBZOK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161929
Clc1cc(COC(=O)N2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	PC-id_10008004,SCHEMBL5542575	562.402	KLYOKTHRMAYFJG-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161930
Clc1cc(COC(=O)N2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	PC-id_10370615,SCHEMBL5540781	562.402	KLYOKTHRMAYFJG-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161931
Clc1cc(COC(=O)N2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1Cl	SCHEMBL5540577,PC-id_9985318	562.402	KLYOKTHRMAYFJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161932
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-8026379452	562.434	INCWPGBDSPSZOJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161933
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-9123760750	562.434	GVHQPBVWUYWIIE-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161934
FC(F)(F)Oc1ccc(COCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67275482,SCHEMBL2095337	562.538	WTQRNJUIRDMTMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161935
FC(F)(F)Oc1cc(COCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_5278904	562.538	RCZSWNMOEOGYGT-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161936
FC(F)(F)Oc1cc(COCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)ccc1	PC-id_78381739	562.538	RCZSWNMOEOGYGT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161937
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)Br	PC-id_117680224,SCHEMBL16213553	562.542	ZVYLQAGYXVZJPN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161938
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(ccc1)Br	PC-id_134170884,SCHEMBL19772055	562.542	RAXMEMCGYVBBBG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161939
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)Br	PC-id_117680223,SCHEMBL16213552	562.542	ZVYLQAGYXVZJPN-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161940
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cc(ccc1)Br	SCHEMBL19767363,PC-id_134167023	562.542	RAXMEMCGYVBBBG-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-161941
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCOCC1	PC-id_68985971,SCHEMBL4283518	562.546	GWSJBBNIEVYGOR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161942
C1(=Nc2n(C1=O)c(CCCCc1nnc3n1C(=O)C(=N3)CC(=O)c1ccc(C)cc1)nn2)CC(=O)c1ccc(C)cc1	MCULE-1513053884,ZINC22_100721316,SPECS-id_AT-225/NB51025,PC-id_3463159	562.579	NFKOHXMGHDFUDJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161943
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1N)N(C)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1375199,PC-id_57703872	562.589	KVLORZFPFRUWTI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161944
CN(CCOc1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	PC-id_68988908,SCHEMBL4289545	562.589	PAZQIDGKLPZJTC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161945
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(CNC2CCOCC2)cccc1F)(C)C)c1cc(F)cc(F)c1	PC-id_58524076	562.604	JCMHJBTUYFKLDZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161946
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(c(OC)c1)OCC=C	MCULE-7329093702	562.617	YXNOWVMJWTYTOM-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-161947
CCOC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408630993	562.63	YWOUKNYMJOYHCP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161948
CCCCOP(OCCCC)OCOCC(CNc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)(C)C	SCHEMBL13659074,PC-id_70962464	562.635	MOINCANDPMMMAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161949
COC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408563793	562.657	PZVJNEYKEVEBHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161950
CCOC(=O)[N+]1(N=C(c2c1scc2)NC(=O)c1ccc(cc1)N1CCOCC1)C(=O)NC(c1ccccc1)(C)C	SCHEMBL6438229,PC-id_69780966	562.66	HGNGAXLVWWNOJL-UHFFFAOYSA-O	00000011100010110001100010000000000000000000000000000000	25-01-161951
COc1cc(OC)cc(c1CC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)OC	SCHEMBL3484845,PC-id_24946778	562.66	SERBYALLPXITQN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161952
s1c2c(CCC2)c(c1NC(=O)C1=C(N(C(=S)NC1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C)C(=O)OC	PC-id_4267387	562.66	BICGOCZBHQMUGD-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-161953
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(OC)cc(OC)c2)nn1)C)C(=O)OCC	PC-id_24052221	562.681	VPVATVQTONXEIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161954
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(OC)c(OC)cc2)nn1)C)C(=O)OCC	PC-id_24076197	562.681	DKNFKUIBJBHVSG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161955
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(OC)c(OC)ccc2)nn1)C)C(=O)OCC	PC-id_23789966	562.681	BJTBOODJMDCQHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161956
S(=O)(=O)(NCC(c1nc2n(n1)N=C(/C/2=N/[N-]c1c([N+]#[C-])cc(S(=O)(=O)N)cc1)C)C)CCCCCCCC	PC-id_57832323	562.688	BECYFZXOEMJDGM-ANYBSYGZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161957
S(=O)(=O)(NCC(c1nc2n(n1)N=C(C2=N[N-]c1c([N+]#[C-])cc(S(=O)(=O)N)cc1)C)C)CCCCCCCC	PC-id_76578306	562.688	BECYFZXOEMJDGM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161958
S(=O)(=O)(NCC(c1nc2n(n1)C=C(/C/2=N/Nc1c([N+]#[C-])cc(S(=O)(=O)N)cc1)C)C)CCCCCCCC	PC-id_59491970	562.708	ISZJZBVXEQJOQX-SWKFRHMKSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161959
S(=O)(=O)(NCC(c1nc2n(n1)C=C(C2=NNc1c([N+]#[C-])cc(S(=O)(=O)N)cc1)C)C)CCCCCCCC	PC-id_72306332	562.708	ISZJZBVXEQJOQX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161960
S(=O)(=O)(NCC(c1nc2n(N=C(C2=NNc2c([N+]#[C-])cc(S(=O)(=O)N)cc2)C)c1)C)CCCCCCCC	PC-id_57797287	562.708	ZBLBGKGQGUPGMS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-161961
CC(CN(Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(c(c1)C)C)CCC2)CC(O)C)O	SCHEMBL267586,PC-id_11226790	562.723	TYTLKHJNIWSXIB-VWJSQJICSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161962
s1c2c(CCC2)c(c1NC(=O)c1cc(CN(CC(O)C)CC(O)C)ccc1)C(=O)NN=Cc1cc(c(cc1)C)C	PC-id_66638553	562.723	TYTLKHJNIWSXIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161963
N1(CCCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccccc2)SC1=S	PC-id_73468654,MCULE-1708856318	562.726	VDPLQIHWVNXJBJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161964
N1(CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)C)SC1=S	PC-id_73468656,MCULE-9467140447	562.726	IVUCRADCPMJSMQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161965
s1c2c(CCC2)c(c1NC(=O)CCCN1C(=O)/C(=C/c2ccccc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884057	562.726	VDPLQIHWVNXJBJ-JCMHNJIXSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161966
s1c2c(CCC2)c(c1NC(=O)CCN1C(=O)/C(=C/c2ccc(cc2)C)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884059	562.726	IVUCRADCPMJSMQ-HMAPJEAMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-161967
CCC1C2CC(CC2N1CC[C@@H](c1cc2c(s1)CCC2)NC(=O)C1CCCCC1)/C=C
/CC(=NN=C1C)C(C)C	PC-id_135294266,SCHEMBL20460775	562.852	QHRBULAOHWEHOM-GEOHMDFKSA-N	00001010100011000001001010000000000000000000000000000000	25-01-161968
CCCCCCN1C(=O)c2c(C1=O)c(sc2[Sn](C)(C)C)[Sn](C)(C)C	PC-id_90323763,SCHEMBL15929364	562.911	QSEZVOXPLUTUAC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161969
C1C2=C(SC(=C2S(=O)(=O)N1CCCCCCOOC/C=CC3=CC=CC=C3)Br)Br	PC-id_161417859	562.944	ORGUOJXDNGCIHC-FLIBITNWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161970
CCOC(=O)c1c(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408630012	563.085	MEJNKIZVODXFRK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161971
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408609634	563.085	PKRLMGKWKAGVCD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161972
CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC22_408621281	563.085	OYMFGKJWDNXWSE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161973
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408625621	563.085	VSJIXISJUDMHKF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161974
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1C)C	PC-id_19641524	563.132	QRYACZHWEKTJLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161975
Clc1cc(c(OCCCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)cc1)C	PC-id_20123339	563.132	XDBKXEMTJTUFLS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161976
c1(NC(=O)c2c(Cl)cnc(SCc3ccccc3C)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_19119420,MCULE-2302624454	563.133	RDOAHDRFDZZBLO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161977
c1(NC(=O)c2c(Cl)cnc(SCc3cccc(C)c3)n2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-1462588103,PC-id_19119551	563.133	UIHKDQUMCOEHTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161978
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(Br)c(OC)c(OC)c(OC)c1Br	EMOLS-id_327839499,MCULE-5673341148	563.257	VDTASPFZQLOGSJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161979
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1oc2c(c1)CCC2	SCHEMBL4794959,PC-id_69193784	563.375	DKEDNLBCFMBMCN-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-161980
Br[C@@]1([C@@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1oc2c(c1)CCC2	PC-id_68688606,SCHEMBL3555003	563.375	DKEDNLBCFMBMCN-MXQSGTKOSA-N	00001011100000110001001010000000000000000000000000000000	25-01-161981
BrC1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1oc2c(c1)CCC2	SCHEMBL3555002,PC-id_68688605	563.375	DKEDNLBCFMBMCN-RUDSSYLZSA-N	00001011100000110001001010000000000000000000000000000000	25-01-161982
CCCCCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_101962224	563.429	NQWNILDOESACMV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161983
CCCCCCCC(CC)C(CCCCCC)CN1C(=O)c2c(sc(c2C1=O)Br)Br	PC-id_90688803	563.429	ZEYXEQNMFBRHIV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161984
CCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)CCCCCCCC	PC-id_102290342	563.429	CEWNZEVMBCSZKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-161985
CCOC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408625284	563.484	JAANZONBXYCHPO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161986
CCOC(=O)c1c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408629477	563.484	BTQIYIFABWGUOU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161987
COC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408626840	563.484	XUGLGBNDZPKZCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161988
COC(=O)c1c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408625186	563.484	IJKGDHOEKLGKSD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-161989
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_21166760	563.487	ICOFNWSMQGCXEG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-161990
CCc1sc(NC(=O)c2cc3CCCc3n2Cc2ccccc2)c(C(=O)OC)c1c1ccc(Br)cc1	EMOLS-id_328221304,MCULE-1943740273	563.505	XYFMFUAREYBSIU-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-161991
CCOC(=O)c1c(NC(=O)c2cc3CCCc3n2Cc2ccccc2)sc(C)c1c1ccc(Br)cc1	EMOLS-id_328222328,MCULE-2412441505	563.505	JVTYHIUGKDEYGS-UHFFFAOYSA-N	00000010100100110000100010000000000000000000000000000000	25-01-161992
FC(F)(F)Oc1ccc(OCCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67274482,SCHEMBL2089944	563.526	ZXGUWVMWANGEGU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161993
FC(F)(F)Oc1ccc(OCCN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2089940,PC-id_67274481	563.526	ZXGUWVMWANGEGU-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-161994
CN(C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccc(cc1F)C(F)(F)F	PC-id_5278892,SCHEMBL2095455	563.544	SKBHDICFPRAKGR-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161995
CN(C1CCN(CC1)c1ccc(cc1)OCC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1ccc(cc1F)C(F)(F)F	SCHEMBL2095460,PC-id_67275512	563.544	SKBHDICFPRAKGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161996
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(F)cccc1CNC1CCOCC1	SCHEMBL1373980,PC-id_57749869	563.592	VXCLPFQIPCLCSG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-161997
CN1CCN(CC1)c1cc(N)c(c(c1)F)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68986822,SCHEMBL4285313	563.595	ZQTPRPNYMJXFLU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-161998
Brc1cccc(n1)CCCN1CCC(C1)(C)C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N	SCHEMBL12747833,PC-id_58201364	563.606	VFLKZFGDFQORFE-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-161999
C[C@H]1CN(CC2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cn1)C(F)(F)F)C	SCHEMBL598531,BindingDB_PC-id_25096423,PC-id_25096423	563.615	KIDSAMBMXNPHKM-SJORKVTESA-N	00000010100010101001000010000000000000000000000000000000	25-01-162000
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CCC(C(C1)(F)F)N)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484906,PC-id_135315430	563.617	IZCXBQFOYOKSTB-NRWPOFLRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162001
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CCC(C(C1)(F)F)N)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484908,PC-id_135315431	563.617	IZCXBQFOYOKSTB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162002
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_19659352	563.621	LBPJGCJWDRVRDB-KBVAKVRCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162003
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2cc(ccc2)C)cc1)C)C(=O)OCC	PC-id_19659911	563.621	ITYJBIQJFCODKU-KBVAKVRCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162004
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_3479593	563.621	BMNMHRSVSDPAGG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162005
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_73633839	563.621	LBPJGCJWDRVRDB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162006
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2cc(ccc2)C)cc1)C)C(=O)OCC	PC-id_73634380	563.621	ITYJBIQJFCODKU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162007
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_9622527	563.621	BMNMHRSVSDPAGG-KBVAKVRCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162008
s1c2CC(C(F)c2cc1C(=O)Nc1cc(C2=C/C(=N/c3nn(c(CN4CCC4)c3)C)/C(=O)N=N2)ccc1F)(C)C	PC-id_75154029	563.621	UOWXYSNUGZHODG-YQYKVWLJSA-N	00001010100011110001100010000000000000000000000000000000	25-01-162009
COc1ccc(cc1)NC(=O)CSc1nc(nn1CC(=O)Nc1sc2c(c1C(=O)N)CCC2)c1ccncc1	ASN-03795992,MCULE-1557539553,SCHEMBL8289820,EMOLS-id_6505021,ZINC22_6973796,PC-id_3178038	563.651	MTBCLIGVRWCYIQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162010
CCOC(=O)N1NC(c2c1scc2)(NC(=O)c1ccc(cc1)N1CCOCC1)C(=O)NC(c1ccccc1)(C)C	PC-id_69780964,SCHEMBL6438226	563.668	XCCZKTHGGSOZIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162011
SC[C@@H](C(=O)NCCOc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)O)NCCN[C@H](C(=O)N)CS	SCHEMBL21075862,PC-id_138700192	563.689	SUHZXHBNJQFFEX-FHWLQOOXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162012
COC(=O)c1c(NC(=O)CCSc2nnc(n2c2ccccc2)CNc2ccccc2OC)sc2c1CCC2	SPECS-id_AN-153/I267367,PC-id_17047743,MCULE-2596221510	563.691	HPEJFVQGTAXSMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162013
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccc(OC)cc1)c1ccccc1)C(=O)OC	PC-id_17047128	563.691	IBRUELVYZNAPQB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162014
S(=O)(=O)(NCC(c1nc2n(n1)N=C(/C/2=N/Nc1c([N+]#[C-])cc(S(=O)(=O)N)cc1)C)C)CCCCCCCC	PC-id_57832252	563.696	CYSIAZRQELHNCJ-ANYBSYGZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162015
S(=O)(=O)(NCC(c1nc2n(n1)N=C(C2=NNc1c([N+]#[C-])cc(S(=O)(=O)N)cc1)C)C)CCCCCCCC	PC-id_76578292	563.696	CYSIAZRQELHNCJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162016
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C(Oc1ccccc1)CN1CCC(C1)(F)F	SCHEMBL19537457	563.703	AMEXEOGLEVENFF-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162017
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661399,EMOLS-id_11051474,PC-id_3360759,MCULE-8485744346	564.077	MBWRFUWNZXSIIF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162018
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(C)ccc(c1Cl)F	PC-id_140882984	564.124	YPDMAFSAHFLSMM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162019
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(Cl)ccc(c1F)C	PC-id_140882941	564.124	XEXQXYIJGCRLNI-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162020
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)ccc(c1Cl)C	PC-id_140883007	564.124	PFLZRDOJCLHPRQ-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162021
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1sc(Cl)cc1)CC2=O	PC-id_11606578	567.745	UKFCLOAWTOIQCS-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-162190
C1C2=C(CO1)N(N=C2C(=O)O)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_161530459	564.162	SSKQKXGBPFULKA-QGZVFWFLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162022
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)C(C)C4=CC(=CC=C4)C(F)(F)F	PC-id_153206111	564.173	WKVQQQGFOQSLJS-MKAWVKDUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162023
CC1=C2CN(CC2=NN1S(=O)(=O)C3CCOCC3)C[C@@H]4C[C@@H]([C@H](O[C@H]4C(F)(F)F)C5=C(C=CC(=C5)F)F)N	PC-id_153681064	564.183	XSHNPLDRCGISQM-VKXSIESHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162024
C1COCCN1CC2=CC=C(C=C2)C#CC3=CN4C(=C3)CN(C4=O)C(CC5=NC=NC(=O)C5=O)C(=O)NCC(F)F	PC-id_165414810	564.193	UQYJBKIJDMAHSH-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-162025
CC1(CCN(CC1)C(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_164801016	564.195	UQIKPJUEJGUCQY-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-162026
CCCC[Sn](c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(CCCC)CCCC	PC-id_54771050,SCHEMBL14801380	564.296	VJAUPMGIBVSJFC-SVZPRBGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162027
CCCC[Sn](c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(CCCC)CCCC	PC-id_76193923,SCHEMBL14801381	564.296	VJAUPMGIBVSJFC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162028
CCCC[Sn](c1sc2c(c1)CN(C2)Cc1ccc(c(c1)OC)OC)(CCCC)CCCC	PC-id_140122557	564.402	JZLLROLTODMHEX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162029
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)CC	MCULE-3426045102	564.432	RSZLLMVSDQNSIZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-162030
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-3402020610	564.45	QDBPYYLUVIIUNN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162031
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-9452124384	564.45	QNURHTIDYIYAQN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162032
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)NC(c1ccc(c(c1)C)c1n[nH]nn1)C	SCHEMBL18740071	564.486	GDZONDXTSVPCIJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162033
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)N[C@H](c1ccc(c(c1)C)c1n[nH]nn1)C	SCHEMBL18740069	564.486	GDZONDXTSVPCIJ-AWEZNQCLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162034
BrCCCCCCC1(CCCCCCBr)c2ccsc2C(=C1CC)SC(CC)C	SCHEMBL19578596	564.523	OJQVVEXHNHLKDE-UHFFFAOYSA-N	00000011100000000000000010000000000000000000000000000000	25-01-162035
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OCc1ccccc1	PC-id_135360644,SCHEMBL20539009	564.555	ABFVIRODANXOHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162036
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OCc1ccccc1	SCHEMBL20539006,PC-id_135360640	564.555	ABFVIRODANXOHI-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-162037
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2c([N+](=O)[O-])cccc2)cc1)C)C(=O)OCC	PC-id_3460959	564.566	RBVJZRZXXWWFDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162038
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2c([N+](=O)[O-])cccc2)cc1)C)C(=O)OCC	PC-id_9621712	564.566	RBVJZRZXXWWFDS-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162039
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)Nc1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL17872086,PC-id_121438490	564.59	QHPMCGBRIPNLST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162040
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CCC(C(C1)(F)F)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484958,PC-id_135315472	564.601	FCWGHRFOVZLWQE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162041
C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC[C@@H](C(C1)(F)F)O)(C(=O)NO)S(=O)(=O)C	PC-id_135315470,SCHEMBL20484956	564.601	FCWGHRFOVZLWQE-WIOPSUGQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162042
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)CN1CC[C@@H](C(C1)(F)F)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484957,PC-id_135315471	564.601	FCWGHRFOVZLWQE-XADRRFQNSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162043
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CN(C2)C(=O)C(c1ccccc1)OC)C(=O)OCCF	PC-id_87243004,SCHEMBL1433513	564.608	XRGPGEDVUZWYBA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162044
FCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433508	564.608	XRGPGEDVUZWYBA-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-162045
CS(=O)(=O)n1cc2CN(Cc2n1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N	PC-id_122488127,BindingDB-id_857140,SCHEMBL18016022	564.631	GYLJRQLSEBNJHN-CCDWMCETSA-N	00100010100000110001100010000000000000000000000000000000	25-01-162046
Brc1cccc(n1)C(CCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(C)C)C	SCHEMBL12747774,PC-id_58201353	564.633	UWBDPMCLRRFWDJ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-162047
Brc1nc(CCC(CCC(C(=O)N2Cc3n(nc(N)c3C2)COCC[Si](C)(C)C)(C)C)C)ccc1	PC-id_58201326,SCHEMBL12747808	564.633	FRZYZUGDFNRLTF-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-162048
Brc1nc(CCCCCC(C(=O)N2Cc3n(nc(N)c3C2)COCC[Si](C)(C)C)(CC)C)ccc1	SCHEMBL1463514,PC-id_58201380	564.633	DRUHRFWCVMQDFZ-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-162049
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCC	MCULE-6851867867	564.633	FDRLTSSPVYVJFD-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162050
SC[C@@H](C(=O)NCCOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)NCCN[C@H](C(=O)O)CS	SCHEMBL21075861,PC-id_138700191	564.674	VFCVQYLYLDSPMN-MNNMKWMVSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162051
COC(=O)c1c(NC(=O)c2sc(c(c2N)C(=O)NCc2ccco2)Nc2ccc(cc2C)C)sc2c1CCC2	PC-id_2403233,CoCoCo_3773752	564.676	GPBCATCWNCGBBA-UHFFFAOYSA-N	00000010101100110000000010000000000000000000000000000000	25-01-162052
CN1CCN([C@H](C1)Cc1ccccc1)C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)Oc1ccccc1	PC-id_57523643,BindingDB_PC-id_57523643	564.677	VGRHRLOVUZTBHT-VWLOTQADSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162053
S(=O)(=O)(CC(CC(=O)O)c1ccc(F)cc1)c1ccc(CCc2cc(Nc3sc4CCCc4n3)ccc2)cc1	PC-id_10175102	564.691	HTLNGYSFMXNQDE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162054
COc1ccc(cc1)/C=N/NC(=O)c1c(NC(=O)c2cccc(c2)CN(CC(O)C)CC(O)C)sc2c1CCC2	PC-id_23107698,SCHEMBL267529	564.696	RUDJQNKVOZEMOH-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162055
s1c2c(CCC2)c(c1NC(=O)c1cc(CN(CC(O)C)CC(O)C)ccc1)C(=O)NN=Cc1ccc(OC)cc1	PC-id_66638531	564.696	RUDJQNKVOZEMOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162056
N1(CC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)OC)SC1=S	PC-id_73468661,MCULE-6810706388	564.699	PFOPKFUWWKIWHW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162057
s1c2c(CCC2)c(c1NC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884064	564.699	PFOPKFUWWKIWHW-MTJSOVHGSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162058
CCCCCCCCS(=O)(=O)NCC(C)C1Cn2c(c(c(n2)C)N=Nc2c(cc(cc2)S(=O)(=O)N)[N+]#[C-])N1	PC-id_135996732	564.724	GMCALVPQFPKXLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162059
s1c2c(CCC2)c(c1NC(=O)CCSCCC(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C(=O)OCC	PC-id_4329536	564.737	DJYPIISMSWFTRS-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162060
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)C(Oc1ccccc1)COCc1ccccc1	SCHEMBL19537136	564.739	LBHBAKDAWWWGPN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162061
C=CCOC(=O)N1C[C@H](C[C@H]1CCN1CCn2c1ccn2)SC(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL8834131,PC-id_67705717	564.74	JKWNDENGTCQEDV-JSOSNVBQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162062
S(C1CC(N(C1)C(=O)OCC=C)CCN1CCn2nccc12)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_77339528	564.74	JKWNDENGTCQEDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162063
CN(CCN(S(=O)(=O)c1cc(NCCS(=O)(=O)C)nc(c1)Nc1sc2c(n1)CCC2)c1ccccc1)C	PC-id_118642041,SCHEMBL17413510	564.744	QMLDPRGICUEYKV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162064
CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(CC4CCN(CO4)OC(C)(C)C)Cc3s2)cc1	BindingDB-id_722824,PC-id_145713374,BindingDB_PC-id_145713374	564.76	CMXBIDBEYXTFRT-JWIMYKKASA-N	00000010100010110001000010000000000000000000000000000000	25-01-162065
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408630362	565.058	SIDUCCVVMDGMLJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162066
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)ccc(F)c1	PC-id_19640905	565.08	YZZFBZAYFVVKJO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162067
Brc1sc(c2c1CN(S2(=O)=O)CCCCCCOOC/C=C/c1ccccc1)Br	SCHEMBL18325091	565.339	ORGUOJXDNGCIHC-DHZHZOJOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162068
CC(=O)OC(C1(Br)C(=O)N2[C@@H]1SC=C2C(=O)OCc1ccc(cc1)[N+](=O)[O-])c1nn2c(c1)OCC2	PC-id_142693239	565.351	HZHKYVFZWXUKPT-TWMPVWRBSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162069
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(C)nn2c1N(CC2)Cc1cc(Br)cc(c1)C(F)(F)F)C	SCHEMBL18758487	565.382	RUNUNTAOQLVNPP-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162070
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)F)c2=O)Cc1ccccc1	MCULE-8572590795	565.414	COHHMNPTIAOKKV-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-162071
Fc1cc(cc(c1)F)CC(c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1COC2)C(=O)O	SCHEMBL14487479,PC-id_71186811	565.5	CGGMTNVLCPSRRW-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162072
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1COC2)C(=O)O	SCHEMBL14487468,PC-id_71186804	565.5	CGGMTNVLCPSRRW-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162073
Brc1ccc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19637954	565.503	IVPWAJYTAGWJCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162074
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)C)cc1	PC-id_19637844	565.503	VXXHPWVBAVNZRR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162075
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC)cc1	PC-id_21166667	565.503	DOSJVLIOGVCCFV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162076
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2ccc(OC)cc2)cc1)C(=O)OCC	PC-id_19658477	565.594	BKAPTIAMEFCPFO-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162077
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2ccc(OC)cc2)cc1)C(=O)OCC	PC-id_73632983	565.594	BKAPTIAMEFCPFO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162078
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C)C(=O)OC	PC-id_4615611	565.594	CATSIJVVDKBUTA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162079
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C)C(=O)OC	PC-id_9679381	565.594	CATSIJVVDKBUTA-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162080
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2c(OC)cccc2)cc1)C(=O)OCC	PC-id_19661665	565.594	VYNROEMYGWWKBX-WKULSOCRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162081
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2c(OC)cccc2)cc1)C(=O)OCC	PC-id_73636095	565.594	VYNROEMYGWWKBX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162082
O(CC(=O)N1CCCC1)c1ccc(CC(=O)N2Cc3c([nH]nc3NC(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1	SCHEMBL2913665,PC-id_10166662	565.619	PLWHLDGNIPRUHN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162083
CC1(Cc2c([C@H]1F)cc(s2)C(=O)Nc1c(ccc(c1)c1n[nH]c(=O)c(c1)Nc1nn(c(c1)CN1CCC1)C)F)C	PC-id_134355559,SCHEMBL19981981	565.637	NJQWVGVFVXTCFQ-RUZDIDTESA-N	00001010100000110001100010000000000000000000000000000000	25-01-162084
O=C(c1sc2c(c1)C(C(C2)(C)C)F)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1cc(n(n1)C)CN1CCC1	SCHEMBL2492129,PC-id_46223259	565.637	NJQWVGVFVXTCFQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162085
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-2425311691,EMOLS-id_22700454,PC-id_5091324,CoCoCo_2661521	565.664	ARRWTZORFMUVMF-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162086
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1Cc1ccccc1	CoCoCo_2661505,EMOLS-id_11051604,MCULE-8590362703,PC-id_3602322	565.664	OLVLPLMXOPUBHD-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-162087
COc1ccc(cc1)NC(=O)CSc1nc(nn1CC(Nc1sc2c(c1C(=O)N)CCC2)O)c1ccncc1	PC-id_143029586	565.667	RVKXNCYXDTVNBA-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162088
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C(c1cccc(c1)C(F)(F)F)C	SCHEMBL19772254,PC-id_134171074	565.671	LNEYOSMBIWYUGZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162089
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)C(c1cccc(c1)C(F)(F)F)C	SCHEMBL18378791	565.671	LNEYOSMBIWYUGZ-DNIBEGIYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162090
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)[C@](N(C2)Cc1ccc(cc1)C(F)(F)F)(C)C(C)C	SCHEMBL18367939	565.671	HUQFZVDTFJQMSH-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-162091
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(cc2)C(F)(F)F)cc1	BindingDB-id_722754,PC-id_145713323,BindingDB_PC-id_145713323	565.671	WMOSTMXRSVRIED-GKVSMKOHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162092
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(cc2)C(F)(F)F)cc1	BindingDB_PC-id_145713322,BindingDB-id_722753,PC-id_145713322	565.671	WMOSTMXRSVRIED-NSYGIPOTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162093
O=C(N1[C@H](C[NH+](CC1)C)Cc1ccccc1)N1C(c2[nH]nc(NC(=O)c3cc(Oc4ccccc4)ccc3)c2C1)(C)C	PC-id_72200815	565.685	VGRHRLOVUZTBHT-VWLOTQADSA-O	00000010100010110001000010000000000000000000000000000000	25-01-162094
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)c4nnn(C)n4)Cc3s2)cc1	PC-id_145713330,BindingDB-id_722761,BindingDB_PC-id_145713330	565.71	VTXLRVKWQMWTSQ-VWLOTQADSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162095
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)c4nnnn4C)Cc3s2)cc1	PC-id_145713328,BindingDB_PC-id_145713328,BindingDB-id_722759	565.71	SAFRWIWYWHXENX-VWLOTQADSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162096
CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(cc4)c4nnn(C)n4)Cc3s2)cc1	BindingDB_PC-id_145713373,BindingDB-id_722822,PC-id_145713373	565.71	BKGYHAKFCPUYAK-DEOSSOPVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162097
Fc1ccccc1CN1CCN(CC(=O)NC2CC(Cl)c3c(Br)sc(Br)c23)CC1	BindingDB-id_198551,BindingDB_PC-id_57340818,PC-id_57340818	565.725	MMFTXPRJSWYVPA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162098
CN(Cc1nsc(c1)Nc1nc(cnc1C(=O)N)N1CCC[C@H]([C@H]1C)NC(=O)c1cc2c(n1C)CC(C2)(C)C)C	PC-id_140930343	565.733	CRSUFEINCSFDSF-VQIMIIECSA-N	00000010100010100001100010000000000000000000000000000000	25-01-162099
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	PC-id_72196198	565.742	VVZBZZWXHYUQNM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162100
CC(C)[C@@H]1c2c(CN1Cc1ccc(cc1)C(C)C)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC1CCC1	SCHEMBL19772240,PC-id_134171060	565.79	BRWZVOORLIMYJX-SSEXGKCCSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162101
Clc1ccc(nc1)C(Nc1sc2CCCc2n1)(Cc1ccccc1)c1cc(OC(F)(F)C(F)F)cc(F)c1	PC-id_73318922,SCHEMBL842847	565.985	IREHFBILOUBGEF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162102
Clc1ccc(nc1)[C@@](Nc1sc2CCCc2n1)(Cc1ccccc1)c1cc(OC(F)(F)C(F)F)cc(F)c1	SCHEMBL842846,PC-id_16743931	565.985	IREHFBILOUBGEF-AREMUKBSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162103
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3c(cccc3Cl)F)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_4278922,MCULE-2084376396,EMOLS-id_11051556	566.068	ADDWTSWVZWCMDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162104
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2c(F)cccc2Cl)C)sc2c1CCC2	CoCoCo_2661959,PC-id_97991690	566.068	ADDWTSWVZWCMDU-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162105
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2c(F)cccc2Cl)C)sc2c1CCC2	CoCoCo_2661960,PC-id_97991689	566.068	ADDWTSWVZWCMDU-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162106
COC1=CC(=CC(=C1)N=C(C2=CC=C(C=C2)Cl)C(=O)N3CCC4=C3C=C(S4)C(F)(F)F)OCCCC(=O)O	PC-id_153500246	566.089	TWILTNWAMQXCGU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162107
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=CC=C(C=C4)OC(F)(F)F	PC-id_160976789	566.152	SYZBOLJCNIURFR-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162108
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=C(C=CC(=C4)OC(F)F)F	PC-id_161697980	566.152	XFQOPCNCBIYEPW-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162109
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(S2)[C@H](N(C3)C#CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_146797895	566.188	RXFQANMPSQLCJR-UYSSGXRJSA-N	00000010100010110000000010000000000000000000000000000000	25-01-162110
Brc1cc(F)c(COc2nsc(NC(=O)NCCCCC3c4n(C=C3)ccc4)c2C(=O)N)c(F)c1	SCHEMBL1249457,PC-id_66965340	566.418	KFSSXGBEJPFRLK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162111
Brc1cc(F)c(COc2nsc(NC(=O)NCCCCC3=CCn4c3ccc4)c2C(=O)N)c(F)c1	PC-id_66965341,SCHEMBL1249458	566.418	SVYOFNPJAJTWGY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162112
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc(OC)cc1)C(OC(=O)C)c1nc2SCCn2c1	PC-id_76141786	566.445	XQNRFARDGYKENE-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162113
BrC1([C@@H]2SC=C(N2C1=O)C(=O)OCc1ccc(OC)cc1)C(OC(=O)C)c1nc2SCCn2c1	PC-id_67570978,SCHEMBL8386728	566.445	XQNRFARDGYKENE-DHHCDUQHSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162114
BrC1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc(OC)cc1)C(OC(=O)C)c1nc2SCCn2c1	SCHEMBL7176683,PC-id_54483297	566.445	XQNRFARDGYKENE-LVKMRUPZSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162115
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)OC	PC-id_19660497	566.539	PVLQPZXHWLGVDJ-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162116
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)OC	PC-id_73634954	566.539	PVLQPZXHWLGVDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162117
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1cc(Cl)ccc1Cl	PC-id_140883004	566.552	JMUFXGRYWFNUDX-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162118
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1C(F)(F)F)N1CCN(CC1)C	SCHEMBL4281362,PC-id_57703877	566.573	GNEVOBBCROLUEJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162119
CCOC(=O)n1nc(c2c1CN(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCN(CC1)C	SCHEMBL4282647,PC-id_57703859	566.573	OAWNRTNFYGUXQF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162120
S(=O)(=O)(O)CCSc1sc(N/N=C/c3n(N=C2C)c(nn3)CCc2cc(cc(c2)C(=O)O)C(=O)O)nn1	PC-id_59071074	566.591	YVZPZPINDSZINB-KGENOOAVSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162121
S(=O)(=O)(O)CCSc1sc(NN=C2c3n(N=C2C)c(nn3)CCc2cc(cc(c2)C(=O)O)C(=O)O)nn1	PC-id_72506969	566.591	YVZPZPINDSZINB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162122
Brc1cccc(n1)OCCCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(C)C	SCHEMBL12747733,PC-id_58201366	566.606	WFUJTZUMGWSRAD-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-162123
Brc1nc(OCCCCC(C(=O)N2Cc3n(nc(N)c3C2)COCC[Si](C)(C)C)(CC)C)ccc1	SCHEMBL12747738,PC-id_58201350	566.606	JHJZRAKDPKQXAM-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-162124
CCOC(=O)c1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408624589	566.612	SXTTWQBYGZBMJK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162125
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)CC=C)C(=O)OCC	PC-id_17304268	566.616	UEFAXOBADWFDDA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162126
O(OCCCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)CC1CCn2c1ccc2C(=O)c1ccccc1	PC-id_18720460	566.644	FQZUQFUWSPZSRH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162127
CCN(c1ccc(c(c1)NC(=O)C)/N=C/1c2nc(nn2N=C1C(C)(C)C)C(CNC(=O)C(=O)C)C)CCCC(=O)O	SCHEMBL14390468,PC-id_71159061	566.652	WCFZMCKNPWXOKA-SXBRIOAWSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162128
CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)C)nc12)[C@H](C)c1ccc(nc1C)C(F)(F)F	BindingDB_PC-id_145713355,PC-id_145713355,BindingDB-id_722792	566.659	PKAIAILPMYBUFU-GYCJOSAFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162129
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(c(C)n4)C(F)(F)F)Cc3s2)cc1	BindingDB-id_722740,BindingDB_PC-id_145713310,PC-id_145713310	566.659	WUDYDMWWQMRRGO-DEOSSOPVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162130
N1(CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)F)SC1=S	PC-id_73468659,MCULE-9418786094	566.69	HORDLHMXZOEFFJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162131
s1c2c(CCC2)c(c1NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884062	566.69	HORDLHMXZOEFFJ-BKUYFWCQSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162132
C[C@H]1CN(C2CCOCC2)[C@@H](CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cn1)N1CCOCC1)C	BindingDB_PC-id_25096422,SCHEMBL596314,PC-id_25096422	566.695	XQKANONIPXDQCC-UXHICEINSA-N	00000010100010101001100010000000000000000000000000000000	25-01-162133
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(cc4)c4nnn(C)n4)Cc3s2)nc1	PC-id_145713367,BindingDB-id_722807,BindingDB_PC-id_145713367	566.698	GDGLTIIKTASQPC-XMMPIXPASA-N	00000010100000111001100010000000000000000000000000000000	25-01-162134
CC(C)[C@H]1c2c(CN1Cc1cc(c(cc1)C#N)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CC1CCC1	PC-id_134170930,SCHEMBL19772103	566.71	QQOWVQDIVCTHJT-MHZLTWQESA-N	00001010100000110001000010000000000000000000000000000000	25-01-162135
CC(C)[C@H]1c2c(CN1Cc1c(cc(cc1)C#N)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CC1CCC1	SCHEMBL19772221,PC-id_134171041	566.71	QSUKTQRQZHKGMM-MHZLTWQESA-N	00001010100000110001000010000000000000000000000000000000	25-01-162136
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N1CCCOC1)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302836,SCHEMBL19920547	566.957	GVJNHTZZGHZCCP-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-162137
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N1CCOCC1)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302824,SCHEMBL19920535	566.957	WBTKKTVAQXSEDZ-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-162138
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(nc(cc1)Cl)NC1CCOCC1)C	PC-id_87235364,SCHEMBL1373993	567.008	KIYUFIIBVDQGCV-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-162139
Clc1ccc(NC(=O)c2c(N)c(sc2Nc2ccccc2)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1	PC-id_2375440,CoCoCo_3768117	567.079	CGNFGMSIKSMLAW-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-162140
COC1=CC(=CC(=C1)[NH+]=C(C2=CC=C(C=C2)Cl)C(=O)N3CCC4=C3C=C(S4)C(F)(F)F)OCCCC(=O)O	PC-id_153500245	567.096	TWILTNWAMQXCGU-UHFFFAOYSA-O	00000010100000110000000010000000000000000000000000000000	25-01-162141
COC1=CC(=CC(=C1)NC(=C(N2CCC3=C2C=C(S3)C(F)(F)F)[O-])C4=CC=C(C=C4)Cl)OCCCC(=O)O	PC-id_146688100	567.097	GYKHPQIWMOUXNT-UHFFFAOYSA-M	00000010100000110000000010000000000000000000000000000000	25-01-162142
COC1=CC(=CC(=C1)N/C(=C(N2CCC3=C2C=C(S3)C(F)(F)F)/[O-])/C4=CC=C(C=C4)Cl)OCCCC(=O)O	PC-id_153500243	567.097	GYKHPQIWMOUXNT-OCOZRVBESA-M	00000010100000110000000010000000000000000000000000000000	25-01-162143
Clc1ccc(OCC(=O)Nc2sc(SC(C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)nn2)cc1	PC-id_23940211	567.101	GMAMRMZOZMDNGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162144
CC1(C2=C(CN1C(=O)NC(CN(C)C)C3CCOCC3)C(=NN2C(=O)O)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_154963618	567.281	KDCKHHTYAVLVOT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162145
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=NN2C(=O)O)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C	PC-id_154963617	567.281	KDCKHHTYAVLVOT-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162146
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(F)cccc1)CC2=CC#C	PC-id_57340820	567.312	OSJLCBBDZYGWKS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162147
Fc1ccccc1CN1CCN(CC(=O)NC2C/C(=CC#C)/c3c(Br)sc(Br)c23)CC1	BindingDB-id_198553,BindingDB_PC-id_57340820	567.312	OSJLCBBDZYGWKS-PJQLUOCWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162148
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])F)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67008901,SCHEMBL1370894	567.494	OVMWUBUFCGXYMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162149
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)S(=O)(=O)c1cc(F)cc(c1)F)NC(=O)c1c(F)cccc1[N+](=O)[O-]	PC-id_67008984,SCHEMBL1371183	567.494	XVBLQLDMUKDXJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162150
CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408562703	567.504	FOVXNURJIFXUQL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162151
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408575148	567.504	JDCDKAIFRZLNEH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162152
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408564649	567.504	ZOMVHAUPUPGNGF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162153
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408615121	567.504	MBKXPTPLSHXGEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162154
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)ccc(Cl)c1	PC-id_19633171	567.508	JBYPGNBKHXFDOX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162155
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc(Cl)cc1	PC-id_21167092	567.508	ZEAQRZCYNYMRGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162156
n12nc(nc1sc(=Cc1ccc(c3cc(Cl)ccc3Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-6897383181	568.471	JSGDCAPWFIXWAV-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162208
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)ccc(Cl)c1	PC-id_19639973	567.508	VQKXKWWJTUFNTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162157
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)cc(Cl)cc1	PC-id_19638415	567.508	VHXBRMKWCMRKRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162158
COC(=O)c1n(nc2c1COC2)C(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)CC1CC(=CC(=C1)F)F	PC-id_144505520	567.516	NJNWRVPPQMIBDO-JDMGRSRBSA-N	00000010100011111001100010000000000000000000000000000000	25-01-162159
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OC	PC-id_4064249	567.527	JIZFEGYTDXMIJG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162160
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OC	PC-id_9644906	567.527	JIZFEGYTDXMIJG-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162161
FC(Oc1ccc(cc1)N1CCN(CC1)S(=O)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	PC-id_117999659,SCHEMBL16624980	567.537	SWFRASPIGTUWAD-YBXHNAATSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162162
FC(F)(F)Oc1ccc(CC2N(CCC(N3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)[O-])cc1	SCHEMBL6010643,PC-id_69635167	567.538	NBTZJYHQFWGPQK-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-162163
FC(F)(F)Oc1ccc(C[C@@H]2N(CCC(N3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)[O-])cc1	SCHEMBL6010649,PC-id_69635176	567.538	NBTZJYHQFWGPQK-SZTYLXMGSA-M	00000010100010110001100010000000000000000000000000000000	25-01-162164
n12nc(nc1sc(=Cc1ccc(c3cccc(c3)C(F)(F)F)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-9229028908	567.579	MZEYJXVHBTTZQD-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162165
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-3049323450,CoCoCo_2661761,EMOLS-id_11051770,PC-id_5107154	567.604	GBPSSQKIAGJHMU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162166
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCc2ccc(OC)cc2)nccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524058	567.607	OLQDGCAOORQYHP-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162167
CCOC(=O)n1nc2c(c1NC(=O)C1(CC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1OC(F)F	PC-id_140882999	567.633	KKFKXGUHZSDZBY-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-162168
CN1CCN(CC1)c1ccc(cc1NC(=O)C1CC1)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	SCHEMBL4279717,PC-id_24751609	567.635	CLNBWQXLVUJZGZ-UHFFFAOYSA-N	00100010100010110001100010000000000000000000000000000000	25-01-162169
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C/C=C/c2ccc(Oc3ccccc3)cc2)cc1)C	PC-id_5278878	567.635	BGEQELYUGRIEQV-WVKGMPFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162170
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)CC=Cc2ccc(Oc3ccccc3)cc2)cc1)C	PC-id_78381725	567.635	BGEQELYUGRIEQV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162171
CC[C@H](C1N(Cc2ccc(cc2)OC(F)(F)F)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL19767358,PC-id_134167018	567.643	WYPPRPJOOAQYFY-YAOANENCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162172
CC[C@H]([C@H]1N(Cc2ccc(cc2)OC(F)(F)F)Cc2c1nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C)C	SCHEMBL18368091	567.643	WYPPRPJOOAQYFY-VOIUYBSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162173
C[C@H](c1ccc(cc1)OC(F)(F)F)N1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_134170961,SCHEMBL19772134	567.643	FKWYTEVQRXVYMK-YAOANENCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162174
C[C@H](c1ccc(cc1)OC(F)(F)F)N1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL19767357,PC-id_134167017	567.643	FKWYTEVQRXVYMK-VOIUYBSRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162175
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(ccc1F)OC(F)F	PC-id_134171065,SCHEMBL19772245	567.643	QFUYVWNEPIDFAA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162176
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)OC(F)(F)F	PC-id_134170903,SCHEMBL19772075	567.643	HSWYMBNOJMYHCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162177
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cc(ccc1F)OC(F)F	PC-id_134171063,SCHEMBL19772243	567.643	QFUYVWNEPIDFAA-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-162178
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1)OC(F)(F)F	SCHEMBL18377876	567.643	HSWYMBNOJMYHCP-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-162179
CN/C(=CC(=Nc1cc(n[nH]c1=O)c1ccc(c(c1)NC(=O)c1sc2c(c1)C(C(C2)(C)C)F)F)N)/CN1CCC1	PC-id_143997175	567.653	FTGHTUOGOGDVLP-YBEGLDIGSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162180
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc([n+](c1)C)C(F)(F)F	BindingDB_PC-id_145713311,PC-id_145713311	567.667	JPWLIKPFTZPMQM-DEOSSOPVSA-O	00000010100000111001000010000000000000000000000000000000	25-01-162181
CCOC(=O)N1c2c(cc(s2)C(=O)NC(C)(C)c2ccccc2)C(N1F)NC(=O)c1ccc(cc1)CNC(C)C	PC-id_89723908,SCHEMBL15153346	567.675	OKTOLYNUNZLDKA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162182
CC(C)CC(C(=O)NC(CC1CCCCC1)C(C(=O)O)O)NC(=O)C(Cc1ccccc1)C1C(=O)n2ccnc2N1	PC-id_135554976	567.676	JSOWUDMKPMRUQQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162183
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)c1nn(nn1)C	PC-id_134170891,SCHEMBL19772063	567.686	QGXTVTWQXBYMGL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162184
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)c1nn(nn1)C	SCHEMBL19767322,PC-id_134166982	567.686	QGXTVTWQXBYMGL-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162185
S(=O)(=O)(NCCN(c1cc(c(/N=C/2\n3c(nnc3C)C(=C2C(=O)OC2C(CC(CC2)C)C)C#N)cc1)C)CC)C	PC-id_23521846	567.703	OBEVXFAETKBMFP-QVTSOHHYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-162186
CC(C)N(CC1CNCC1CN(C1CC1)C(=O)c1n[nH]c2c1CCC2)C(=O)c1cc(c(cc1)OC)OCCCOC	PC-id_91114723	567.72	QDLSQJQWASBALP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-162187
COCCCOc1cc(ccc1OC)C(=O)N(C(C)C)C[C@@H]1CNC[C@H]1CN(C(=O)c1n[nH]c2c1CCC2)C1CC1	PC-id_11851537,SCHEMBL3369269	567.72	QDLSQJQWASBALP-GOTSBHOMSA-N	00100010100000110001000010000000000000000000000000000000	25-01-162188
CCS(=O)(=O)c1cnc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)C1=NN(CC1)C	SCHEMBL18367869	567.726	MMPZCHGJAWJIAA-SANMLTNESA-N	00000011100000110001100010000000000000000000000000000000	25-01-162189
CC1=C(C(CC(C1)O)(C)C)C=CC=CC1=C(CC(CC1(C)C)OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_91337763	567.757	VDFCLPYUUAIEKK-UHFFFAOYSA-N	00000010100011110000000010000000000000000000000000000000	25-01-162191
O([C@H]1CC(C(=C(C1)C)/C=C/C=C/C1=C(C[C@@H](O)CC1(C)C)C)(C)C)C(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_58934287,SCHEMBL12123998	567.757	VDFCLPYUUAIEKK-RKGWBJHHSA-N	00000010100011110000000010000000000000000000000000000000	25-01-162192
c1c2CC(COCCCCCCCCCCCC)(COCCCCCCCCCCCC)Cc2c[se]1	CT-id_1512141,PC-id_139041118,1512141_OpenMolecule	567.788	LPUSAWCBXRGAFC-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162193
Clc1cc(OC(F)(F)F)c(NC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278857	567.945	IVBXWAYISCFUSI-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-162194
Clc1cc(OC(F)(F)F)c(NC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_78381705	567.945	IVBXWAYISCFUSI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162195
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@@H](c1c(F)cc(cc1F)Cl)C	SCHEMBL19772107,PC-id_134170934	568.099	XJZKKGVNKRRTND-FXBVVIMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-162196
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)[C@@H](c1c(F)cc(cc1F)Cl)C	SCHEMBL18367907	568.099	XJZKKGVNKRRTND-BZQUYTCOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162197
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)[C@H](c1c(F)cc(cc1F)Cl)C	SCHEMBL18367910	568.099	XJZKKGVNKRRTND-MQNRADLISA-N	00000010100000110001000010000000000000000000000000000000	25-01-162198
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)C(C)c2c(F)cc(Cl)cc2F)cc1	BindingDB_PC-id_145713321,PC-id_145713321,BindingDB-id_722751	568.099	XJZKKGVNKRRTND-RZNFBWOTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162199
COC1=CC(=CC(=C1)NC(=C(N2CCC3=C2C=C(S3)C(F)(F)F)O)C4=CC=C(C=C4)Cl)OCCCC(=O)O	PC-id_146688101	568.105	GYKHPQIWMOUXNT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162200
COC1=CC(=CC(=C1)N/C(=C(N2CCC3=C2C=C(S3)C(F)(F)F)/O)/C4=CC=C(C=C4)Cl)OCCCC(=O)O	PC-id_153500244	568.105	GYKHPQIWMOUXNT-OCOZRVBESA-N	00000010100000110000000010000000000000000000000000000000	25-01-162201
Clc1ccc(NCc2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)c2ccccc2)cc1	PC-id_17047803	568.11	STUITQQCGXTDDF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162202
CCNCCN(C(=O)CNC(=O)CNC(=C)CNC(=O)CS)C(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3	PC-id_160505371	568.247	FZMGRDARSGDBMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162203
CC1(C2=C(CN1C(=O)N[C@H](COC(=O)CCC(=O)[O-])C3=CC=CC=C3)C(=NN2)NC(=O)C4(CCC4)[Si](C)(C)C)C	PC-id_153715104	568.26	RBGHZHYUMVPSGT-HXUWFJFHSA-M	00001010100000110001000010000000000000000000000000000000	25-01-162204
CCCCC(CC1=CC[C@](S1)(C)/C=C
/C(=O)c2c(S1(=O)=O)c(sc2Br)Br)CC	SCHEMBL17130526,PC-id_118409213	568.406	SALSJFKRVHZHIM-PJLLIUPASA-N	00000011100000000000000010000000000000000000000000000000	25-01-162205
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3Cl)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-5043745705	568.471	CNSOQCFEQMUDQN-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162206
n12nc(nc1sc(=Cc1ccc(c3ccc(c(Cl)c3)Cl)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-4019947571	568.471	HWGQBGOZWRNSNB-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162207
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3Cl)Cl)n2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22699836,CoCoCo_2661140,PC-id_3479817,MCULE-5934268101	568.496	RPOZALFGGWJDEP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162209
C/C=C(/CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C1N=NNN1)C)c(n2)C(F)(F)F)C=C(C(F)(F)F)/C=C	PC-id_145296948	568.517	MRCDQVVTSQAZIL-TUIFILOPSA-N	00000011100000110001100010000000000000000000000000000000	25-01-162210
C=C1C=C(C=C(O1)C(C(F)(F)F)(C)C)C(=N)C(=O)Cc1ccc(cc1F)c1cnc(nc1)Nc1cnn2c1OCC2	SCHEMBL18464456	568.522	XOXIUPJRCKBVBB-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-162211
FC(F)(F)Oc1ccc(CC2N(CCC(N3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc1	PC-id_69635168	568.545	NBTZJYHQFWGPQK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162212
FC(F)(F)Oc1ccc(C[C@@H]2N(CCC(N3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)C2)C(=O)O)cc1	PC-id_69635177	568.545	NBTZJYHQFWGPQK-SZTYLXMGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162213
FC(F)(F)Oc1ccc(COC(=O)N2CCC(N3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77712888	568.545	AYFMLOIXZDMSLP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162214
FC(F)(F)Oc1ccc(COC(=O)N2CCC(N3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	SCHEMBL6010635,PC-id_69635159	568.545	AYFMLOIXZDMSLP-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162215
FC(F)(F)Oc1ccc(COC(=O)N2CCN(C3CCN(CC3)C[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_69635381,SCHEMBL6010835	568.545	ZTXGQMXRGUFSPT-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162216
FC(F)(F)Oc1ccc(COC(=O)N2CCN(C3CCN(CC3)CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1	PC-id_77712985	568.545	ZTXGQMXRGUFSPT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162217
COc1ccc(cc1)CNc1ncccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372764,PC-id_57749832	568.595	CARBLLOEEOQAHJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162218
C=C/C=C(/C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCCOS(=O)(=O)C)C)C(C)C	SCHEMBL18758656	568.651	XSPPXXJATQGBQU-LSFURLLWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162219
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n(nc2Nc1cccc(c1)Nc1ccc(cc1)N)C(=O)O)C	SCHEMBL17872100,PC-id_121438504	568.669	MWPANFRBJXJARK-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162220
CN=C(/N=C(/c1c(nc2n1C=CC2)C(=C)C=C)C=C)NC1CCCN(C1)S(=C)(=C)c1ccc(cc1)CC(F)(F)F	PC-id_143219725	568.699	PVDCBFBCWXEODW-YRRMYEEHSA-N	00000011100010110001000010000000000000000000000000000000	25-01-162221
CCOC(=O)c1c(NC(=O)Cn2nc(c3ccncc3)nc2SCC(=O)NC2CCCCC2)sc2c1CCC2	ASN-03795757,ZINC22_6599726,MCULE-8932672889,PC-id_3178007	568.711	WYYDXWPBKMVQAD-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-162222
CC(C)[C@H]1c2c(CN1Cc1cc(=O)n(cc1)C)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CC1CCCC1	SCHEMBL19772206,PC-id_134171026	568.751	NOKXVYTWOULOEE-MHZLTWQESA-N	00000010100000111001000010000000000000000000000000000000	25-01-162223
CCCCNC1=C(C(=O)Nc2c(CC)cccc2CC)C(=N)C(S1)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	EMOLS-id_257864840,MCULE-6060858957	568.751	PFRBEAZIFIFZCD-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-162224
s1c2c(CCC2)c(c1NC(=O)C1SC(=NCCCC)C(=C1N)C(=O)Nc1c(CC)cccc1CC)C(=O)OC	PC-id_4430300	568.751	MDGFHBMFGUMDBI-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-162225
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC=C)C(=O)OCC	PC-id_17306843	568.751	AHARTNYZOHSSEH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162226
N1(CCCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2cccs2)SC1=S	MCULE-3703337424,PC-id_73468651	568.754	JKSJWOAMGYQVDZ-UHFFFAOYSA-N	00000010100100101001000010000000000000000000000000000000	25-01-162227
s1c2c(CCC2)c(c1NC(=O)CCCN1C(=O)/C(=C/c2sccc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884054	568.754	JKSJWOAMGYQVDZ-MOSHPQCFSA-N	00000010100100101001000010000000000000000000000000000000	25-01-162228
O=C(N[C@@H](C(C)(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)C)C(C)C)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL8252442,PC-id_70320291	568.792	UGFVURHWQRPFOZ-RLLPEYFOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-162229
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C(CC2)C(C)C)C(=O)C)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_77821697	568.792	UGFVURHWQRPFOZ-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-162230
CCS(=O)(=O)c1c(cc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCC(CC1)C#N)C1CCC1	PC-id_134170730	568.794	WNOVNYVWDKDVQW-KRGKPIPQSA-N	00001010100010110001100010000000000000000000000000000000	25-01-162231
N#C[C@@H]1CC[C@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(c(c1)C1CCC1)S(=O)(=O)CC	SCHEMBL19771897	568.794	WNOVNYVWDKDVQW-WURXVLGASA-N	00001010100010110001100010000000000000000000000000000000	25-01-162232
Cc1c(n2CCCc2c1C(C(=O)NC1(CC(C1)(F)F)C(=O)N1CCCOC1)O)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920607,PC-id_134302892	568.973	GKMMIAYUTZBDAU-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-162233
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N1CCOCC1)C(Nc1cc(c(cc1)F)Cl)O	SCHEMBL19920630,PC-id_134302913	568.973	QYWIUNFAGZPSHO-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-162234
COc1cc(OCCCC(=O)O)cc(c1)NC(C(=O)N1CCc2c1cc(s2)C(F)(F)F)c1ccc(cc1)Cl	PC-id_142477015	568.992	KBZPYTVHLYQILF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162235
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)CNC1(CSC1)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920545,PC-id_134302834	569.039	KZOJNHVXUDVVCR-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-162236
Clc1ccc(OCc2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)c2ccccc2)cc1	PC-id_17047843	569.095	CQSZTTDNUPLYOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162237
Clc1ccc(/C=C/2SC(=S)N(CC(=O)Nc3sc4c(CCC4)c3C(=O)NCc3cccnc3)C2=O)cc1	PC-id_18884067	569.118	UEIGJAVRXNSGPI-JAIQZWGSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162238
N1(CC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)Cl)SC1=S	PC-id_73468664,MCULE-1447572223	569.118	UEIGJAVRXNSGPI-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162239
CC1(C2=C(CN1CN[C@H](CN(C)C)C3=CC=CC=C3)C(=NN2)NC(=O)C4=CC(=C(C=C4)NC(=O)C=C)C(F)(F)F)C	PC-id_164941714	569.273	DXNHPVZYIFBMMG-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162240
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1cc([N+](=O)[O-])ccc1)CC2=O	PC-id_11671404	572.27	QUHNFQZTDPWEQW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162357
CC1=C(C=CC(=N1)N2CC[C@@H](C2)CO)CN3C=C(C=N3)C(=O)N[C@@H]4CCC5=C(N(N=C45)COCCS(C)(C)C)C	PC-id_154964002	569.315	AZNGGDRPKLCJMS-BKMJKUGQSA-N	00000010100000101001100010000000000000000000000000000000	25-01-162241
CC[C@@H](C)C(=O)N[C@@H]([C@@H](C)OCC)C(=O)N1CCC[C@H]1CN(CCC2=CC=C(C=C2)F)C(=O)C3=CN4CCCC4=N3	PC-id_148100060	569.338	JPFZTPQDZLXKLS-RFLHCVRGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162242
c1(N(=O)=O)nn(cc1Br)Cc1ccc(C(=O)NNC(=S)Nc2sc3c(CCC3)c2C(=O)OC)o1	EMOLS-id_2471396,MCULE-5840681854,CoCoCo_996923,PC-id_2208992,TIMTEC221228	569.409	IOOUDLDXJVSQJI-UHFFFAOYSA-N	00000010101000000001000010000000000000000000000000000000	25-01-162243
CCOC(=O)C(=O)c1c2C(OC(=S)n2c(c1C(=O)OC)C(=O)OC)(C(=CC(=O)OC)C(=O)OC)C(=O)OCC	PC-id_136664388	569.492	QNDYGIUNFWXQBR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-162244
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)C(F)(F)F)N(C)C	SCHEMBL18740048	569.499	ATAAVKLFUSWCPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162245
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)C(F)(F)F)N(C)C	SCHEMBL18740047	569.499	ATAAVKLFUSWCPR-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162246
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc(Cl)c1	PC-id_19639859	569.524	RNAPXQWIOBOYDJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162247
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc(Cl)cc1	PC-id_17266307	569.524	CUAHCLSISYKMJC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162248
Clc1c(OCCCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)ccc(Cl)c1	PC-id_20122991	569.524	UNEFHEUMPABTQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162249
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)ccc(Cl)c1	PC-id_20122898	569.524	MCKZQOCIARSVIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162250
O=C1[C@@H](NC(=O)/C(=NOC2(CCCC2)C(=O)O)/c2csc(n2)N)[C@H](N1S(=O)(=O)O)Cn1nc2c(n1)CNC2	PC-id_141462904	569.571	GDEGUNVSOYCXGI-IPUHIHRBSA-N	00001010100000000001000010000000000000000000000000000000	25-01-162251
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]ccc2)cc(OC)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524043	569.58	YBNDIQRNJIAIJS-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162252
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCc2oc(cc2)C(=O)OC)cc1)C(=O)OCC	PC-id_19661537	569.583	LUBWAYUQIJSXPV-XODNFHPESA-N	00000010101000110000000010000000000000000000000000000000	25-01-162253
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCc2oc(cc2)C(=O)OC)cc1)C(=O)OCC	PC-id_73635969	569.583	LUBWAYUQIJSXPV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-162254
O=C(NC(Cc1ccc(NC(=O)c2c(OC)cccc2OC)cc1)C(=O)O)C1n2c(nnc2Cc2ccccc2)CC1	PC-id_11563189	569.608	QMXWRLJEVPSCSV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162255
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661496,PC-id_5012972,EMOLS-id_11051548,MCULE-3063820476	569.628	KWWXKYKWJHRWEO-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162256
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(c(cc1)C(F)(F)F)F	SCHEMBL19771972,PC-id_134170804	569.634	AMKMIZXMUKPWKP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162257
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(c(c1)F)C(F)(F)F	SCHEMBL18368076	569.634	AMKMIZXMUKPWKP-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-162258
CCOC(=O)n1nc2c(c1NC(=O)C([Si](C)(C)C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1OC(F)F	PC-id_141657798	569.649	ZZTVEQAUFDNCHV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162259
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1	PC-id_140963661	569.649	SCCZCOMQTCGLLX-HXUWFJFHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162260
CCN(c1ccc(c(n1)C)/N=C/1\n2nc(nc2C(=C1S(=O)(=O)Nc1ccccc1)C#N)CNS(=O)(=O)C)CC	SCHEMBL13422412	569.659	MOTNMEIHBDVMNX-COOPMVRXSA-N	00000011100000111001000010000000000000000000000000000000	25-01-162261
S(=O)(=O)(Nc1ccccc1)C1=C(c2n(nc(n2)CNS(=O)(=O)C)C1=Nc1c(nc(N(CC)CC)cc1)C)C#N	PC-id_58856793	569.659	MOTNMEIHBDVMNX-UHFFFAOYSA-N	00000011100000111001000010000000000000000000000000000000	25-01-162262
O=C(c1sc2c(c1)CCC2)Nc1cccc(c1C)c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c(=O)n(c1)C	SCHEMBL1069427,PC-id_66895561	569.674	TVQHWLVGDUKHRE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162263
CCOC(=O)c1c(NC(=O)Cn2nc(c3ccncc3)nc2SCC(=O)Nc2nccs2)sc2c1CCC2	MCULE-9904186680,ZINC22_6599727,PC-id_3178015,ASN-03795861	569.679	UIODPIPCQGDYAP-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-162264
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(NC1)C(P)(F)C	SCHEMBL19772074,PC-id_134170902	569.695	BCPWQIVUBCDKCM-XCHGXCHPSA-N	00000010100010101001000010000000000000000000000000000000	25-01-162265
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1n(nc2c1CSC2)CC(=O)NCc1ccc(OC)cc1	PC-id_44053589	569.696	YJESQPULCKQQCV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162266
OC(=O)CCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817087	569.725	RBGHZHYUMVPSGT-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162267
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)C(C)(C)C)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-2909004866,EMOLS-id_22701024,PC-id_4280051	569.739	LGEHYZXVYZOQRJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162268
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(C)c3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-3405684069,EMOLS-id_22701122,PC-id_3470200	569.739	UIRFRRZBKMYGFZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162269
c1(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccccc3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4450510,EMOLS-id_22701148,MCULE-5978083318	569.739	JDHLYVIAVQQPQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162270
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4126980026,CoCoCo_2661633,EMOLS-id_22700642,PC-id_4248106	569.739	TUDGKLXBYIBPAW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162271
CCCCn1c(nnc1CNC(=O)c1cccc(c1)C)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662063,PC-id_98229488	569.739	UIRFRRZBKMYGFZ-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162272
CCCCn1c(nnc1CNC(=O)c1cccc(c1)C)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229487,CoCoCo_2662064	569.739	UIRFRRZBKMYGFZ-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162273
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c([N+](=O)[O-])cccc1)CC2=O	PC-id_11613919	572.27	IFNHPTSKFURCFX-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162358
CCCCn1c(nnc1CNC(=O)Cc1ccccc1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229508,CoCoCo_2662094	569.739	JDHLYVIAVQQPQI-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162274
CCCCn1c(nnc1CNC(=O)Cc1ccccc1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229509,CoCoCo_2662093	569.739	JDHLYVIAVQQPQI-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162275
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2)C(C)(C)C)C)sc2c1CCC2	PC-id_98359577,CoCoCo_2661929	569.739	LGEHYZXVYZOQRJ-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162276
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2)C(C)(C)C)C)sc2c1CCC2	PC-id_98359579,CoCoCo_2661930	569.739	LGEHYZXVYZOQRJ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162277
CC(C)[C@@H]1c2c(CN1Cc1cc(ccc1)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	PC-id_134170952,SCHEMBL19772125	569.754	PEGYIGLVHVDVCD-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162278
Clc1cc(C(=O)Oc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)ccc1	PC-id_19661797	570.013	TWMHLCHZEHSSNW-AMVVHIIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-162279
Clc1cc(C(=O)Oc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)ccc1	PC-id_73636223	570.013	TWMHLCHZEHSSNW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162280
Clc1c(C(=O)Oc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cccc1	PC-id_3527598	570.013	GCWYZUUEUOAPDD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162281
Clc1c(C(=O)Oc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)cccc1	PC-id_4653475	570.013	ZXOSWFRIRYYJDS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162282
Clc1c(C(=O)Oc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cccc1	PC-id_9624452	570.013	GCWYZUUEUOAPDD-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162283
Clc1c(C(=O)Oc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)cccc1	PC-id_9681147	570.013	ZXOSWFRIRYYJDS-AMVVHIIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-162284
Clc1ccc(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)cc1	PC-id_4992406	570.056	BGOSGUIVKUGHSS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162285
Clc1ccc(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)cc1	PC-id_9687954	570.056	BGOSGUIVKUGHSS-WCMJOSRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162286
Clc1cc(COc2c(OCC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_19660275	570.056	UENBQDMLICCULA-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162287
Clc1cc(COc2c(OCC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc1	PC-id_73634737	570.056	UENBQDMLICCULA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162288
Clc1c(cc(OCc2cc(ccc2OC)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1C)C	PC-id_19659722	570.056	PYLWDXWTNPFCBP-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162289
Clc1c(cc(OCc2cc(ccc2OC)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)cc1C)C	PC-id_73634203	570.056	PYLWDXWTNPFCBP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162290
Clc1c(COc2c(OCC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_19658889	570.056	ANJZIWITNATNFU-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162291
Clc1c(COc2c(OCC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cccc1	PC-id_73633387	570.056	ANJZIWITNATNFU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162292
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)cccc1	PC-id_3630021	570.056	KTRCVUXQIBHIPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162293
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)cccc1	PC-id_9628705	570.056	KTRCVUXQIBHIPZ-WCMJOSRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162294
Brc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(F)ccc1	PC-id_24946087,SCHEMBL1988902	570.457	NFQNFOGTSFNQKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162295
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)CO)Cc1cc(ccc1)C(F)(F)F	PC-id_135361112,SCHEMBL20539567	570.484	OAQFHTRYHNRXET-PKDNWHCCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162296
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CC(n2nc1C(F)(F)F)CO)Cc1cc(ccc1)C(F)(F)F	PC-id_135361113,SCHEMBL20539568	570.484	OAQFHTRYHNRXET-KTQQKIMGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162297
OCC1CN(c2n1nc(c2C(=O)NC(c1ccc(cc1)C(=O)OC)C)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758608	570.484	OAQFHTRYHNRXET-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162298
OC[C@@H]1CN(c2n1nc(c2C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758603	570.484	OAQFHTRYHNRXET-LIRRHRJNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162299
C1(=Nc2n(C1=O)c(CCCCc1nnc3n1C(=O)C(=N3)CC(=O)c1ccc(F)cc1)nn2)CC(=O)c1ccc(F)cc1	MCULE-9251008904,SPECS-id_AT-225/NB51029,ZINC22_100721320,PC-id_4103431	570.506	LPUOYMMYZWAUEH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162300
COc1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_16665445,SCHEMBL1372772	570.568	FBTGWEBMPPWISV-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162301
COc1ccc(c(c1)NC(=O)c1c[nH]cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009959,SCHEMBL1373583	570.568	JZUHHWGXYGBCOW-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162302
Cc1c(ccc(n1)C(F)(F)F)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1c(cc(cc1)S(=O)(=O)C)F	SCHEMBL19771962,PC-id_134170794	570.623	JWPGNTVTFHEZAS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162303
O=C(Cc1ccc(cc1F)S(=O)(=O)C)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(nc1C)C(F)(F)F	SCHEMBL18367981	570.623	JWPGNTVTFHEZAS-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162304
O=C(c1sc2c(c1)[C@@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)c1cccn1C	PC-id_67434483,SCHEMBL2511060	570.637	JZICZNPVGUFRBG-MHZLTWQESA-N	00000010110000111001100010000000000000000000000000000000	25-01-162305
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(COC(=O)CN(C)C)CC1)C	SCHEMBL18729894	570.657	ZVYSWHOTOFSXMO-HHHXNRCGSA-N	00100010100000110001100010000000000000000000000000000000	25-01-162306
CCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2I)I	PC-id_101962221	573.271	NVOPMXKLGHQMMW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162408
SCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCCNC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_141677118	570.66	AXXHMIOITXYWSL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162307
CCOc1ccccc1Nc1sc(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)c(N)c1C(=O)N1CCOCC1	PC-id_5004250,EMOLS-id_48981041,MCULE-7974711404,CoCoCo_3773746,ZINC22_5949610	570.68	ZWFULRIFMSWVDN-UHFFFAOYSA-N	00000010100110110001000010000000000000000000000000000000	25-01-162308
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(cc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC=C	PC-id_90338805,SCHEMBL15948235	570.682	JRWAOLZETKBDLP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162309
CCO[C@@H]([C@@H](C(=O)N1CCCC1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)NC(=O)[C@@H](NC)C)C	SCHEMBL18754729	570.699	CGSDQNWUWWCFPO-VPDOMKFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162310
CCO[C@@H]([C@@H](C(=O)N1CCC[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)NC(=O)[C@@H](NC)C)C	PC-id_53374880,SCHEMBL12443516	570.699	CGSDQNWUWWCFPO-WLEUKTLDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162311
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(NC)C)C(OCC)C)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_76026384	570.699	CGSDQNWUWWCFPO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162312
OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1cccc(c1)NCc1nc2n(c1)CCS2)O	SCHEMBL2577164,PC-id_66845226	570.743	JWSDYIIMUZOWLQ-LJAQVGFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162313
S1CCn2c1nc(c2)CNc1cc(COCCOCCCCCCNCC(O)c2cc(c(O)cc2)CO)ccc1	PC-id_77195714	570.743	JWSDYIIMUZOWLQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162314
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2ccccc2C)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-4542326351,PC-id_19119702	571.068	ZSYHAXILZPIFPZ-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-162315
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCc1ccco1	MCULE-2869193313,PC-id_19119847	571.068	NDYIFHRWDCXXLO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-162316
CC(C1(CC=CC=C1)C(=O)O)NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC4=CC(=CC(=C4)N(C)C)C(F)(F)F	PC-id_152091881	571.202	UYWYFDJLWBKABM-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-162317
CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=N1)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	PC-id_153631885	571.275	JSMVBXQFLBYUHA-OAQYLSRUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162318
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)N[C@H](CC(C)(C)O)C3=CC(=CC=C3)F)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_160205798	571.299	PHIHKBZWTXUGHY-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162319
CC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)N[C@H](CC(C)(C)O)C3=CC=CC=C3F)NC(=O)C4(CCC4)[Si](C)(C)C	PC-id_160932137	571.299	STKDVQJNHILEQU-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162320
BrCC1CCC(CC1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	PC-id_145296783	571.43	GNDKSBAAGTWPPK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162321
BrCC1CCC(CC1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758593	571.43	GNDKSBAAGTWPPK-GTPINHCMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162322
CSNC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	PC-id_145296821	571.538	FPSXWADXQVEUGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162323
O=C(Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(cc1F)OC(F)(F)F)Cc1ccc(cc1)S(=O)(=O)C	SCHEMBL18368078	571.607	DOZGBHUHRYDDKT-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162324
CCOC(=O)n1nc(c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)NC(=O)c1ccc(c(c1)N)N1CCN(CC1)C	SCHEMBL4279221,PC-id_57703862	571.624	IYXLFMDPCOKALW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162325
COCC(=O)Nc1cc(ccc1N1CCN(CC1)C)C(=O)Nc1n[nH]c2c1CN(C2)S(=O)(=O)c1cccc(c1)F	SCHEMBL4278074,PC-id_24751186	571.624	DCCJLQFPZOSMGJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162326
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCN(CC1)C)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL1373769,PC-id_57703913	571.625	FBSBPLUTBIMOMQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162327
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C)CN(C2(C)C)C(=O)OC(C)(C)C	SCHEMBL4290936,PC-id_68989603	571.625	LTNLDMMIQZMBGD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162328
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C	PC-id_57703892,SCHEMBL13857359	571.625	SWDDFZOZKGPWAN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162329
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)OC(C)(C)C)NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCN(CC1)C	PC-id_67238112,SCHEMBL1987097	571.625	VIXCKOOIRPYZBA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162330
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)C(=O)OCC)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-4207876345	571.643	HRDLDUQIGVFKSU-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162331
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)COC(=O)N1CCN(CC1)C)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484888,PC-id_135315414	571.645	LFCWPRKGOUXLFS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162332
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)COC(=O)N1CCN(CC1)C)C	PC-id_140904882	571.645	LFCWPRKGOUXLFS-HHHXNRCGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162333
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2n(nc3c2CSC3)CC(=O)NCc2ccc(OC)cc2)cc1	PC-id_44053495	571.668	KLVMLBLSVDTSDP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162334
C=COC(=O)n1nc(c2c1CNC2C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030743,SCHEMBL1433856	571.67	JQMSDPKIOGNKLH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162335
C=COC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030888,SCHEMBL1434085	571.67	YCUWALIUXVKBLF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162336
C=COC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_44518785,SCHEMBL1434083	571.67	AQYUJVGJOFWGHU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162337
O=CN(c1nccc(c1C=O)c1cn(C)c(=O)c(c1)N=C(/C=C
/COCCN1)N)CCn1c(C)cc2c1CC(C2)(C)C	PC-id_138649815,SCHEMBL21018182	571.67	ICJMDHUQVPKDRV-QRVIBDJDSA-N	00000010100010101001100010000000000000000000000000000000	25-01-162338
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCC=C)C1CC(N(C1)C(=O)OCC=C)CCN1CCn2nccc12	PC-id_76119637	571.688	TXBSEEPOGVHELP-UHFFFAOYSA-N	00001011100000000001001010000000000000000000000000000000	25-01-162339
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)OCC=C)[C@H]1C[C@H](N(C1)C(=O)OCC=C)CCN1CCn2nccc12	PC-id_54338266	571.688	TXBSEEPOGVHELP-LCDLLCBDSA-N	00001011100000000001001010000000000000000000000000000000	25-01-162340
COCC(Oc1cc(Oc2ccc(cc2)SC)cc(c1)C(=O)Nc1nc2c(s1)CN(C2)C(=O)OC(C)(C)C)C	PC-id_145120729	571.708	YRLZKWMFSZAWSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162341
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OCCCC)n2C)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661093,PC-id_3491494,MCULE-9524159120,EMOLS-id_11051728	571.711	NLFFJGGNLRBIJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162342
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661741,PC-id_4067706,EMOLS-id_11051666,MCULE-1169997170	571.711	MDLZTOXOJZGYDD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162343
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4181385,CoCoCo_2661073,MCULE-7239735186,EMOLS-id_11051678	571.711	NAYVTLORGOQGMR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162344
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_11051714,CoCoCo_2661600,PC-id_3320816,MCULE-8342461011	571.711	DFWHQHATPAFLJT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162345
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4642229485,PC-id_5143833,CoCoCo_2661378,EMOLS-id_11051424	571.711	ACOQOBXHLHHODI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162346
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1C1CCCCC1	MCULE-6788499041,EMOLS-id_11051422,PC-id_4165354	571.711	ITAIPQXAZLTWKV-UHFFFAOYSA-N	00000010101010000001100010000000000000000000000000000000	25-01-162347
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662335,PC-id_97991655	571.711	ITAIPQXAZLTWKV-MRXNPFEDSA-N	00000010101010000001100010000000000000000000000000000000	25-01-162348
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662336,PC-id_97991656	571.711	ITAIPQXAZLTWKV-INIZCTEOSA-N	00000010101010000001100010000000000000000000000000000000	25-01-162349
C/C=CC(=C/C=C(/C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C)C)NC(=O)C=C	PC-id_145111650	571.713	KDAACHOLLUUGFH-WFSQBMFPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162350
NN/C(=NN)/c1ccccc1c1ccc(cc1)Cc1c(C)nc(n(c1=O)Cc1cc2c(s1)C(N(C2(C)C)O)(C)C)C	PC-id_144269894	571.736	OLLAAKAKPOMRCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162351
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCC(CC1)c1nnc(o1)C	PC-id_145713312,BindingDB_PC-id_145713312	571.754	UFCMMEDRUIAHPM-NSOLWDIASA-N	00000010100010110001100010000000000000000000000000000000	25-01-162352
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)c4nnc(C)o4)Cc3s2)cc1	BindingDB-id_722742	571.754	UFCMMEDRUIAHPM-ZVTMKPAUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162353
CC(C1=CC=C(C=C1)C(=O)OC)NC(=O)C2=C3N(CC(N3N=C2C(F)(F)F)CF)CC4=CC(=CC=C4)C(F)(F)F	PC-id_148676814	572.166	NQUWKTKDNQCQQJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162354
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1C1CC1	PC-id_141657797	572.171	CLRPPENLKLGZIM-UHFFFAOYSA-N	00101010100000110001100010000000000000000000000000000000	25-01-162355
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1ccc([N+](=O)[O-])cc1)CC2=O	PC-id_11585270	572.27	BDYKTUFNHVSJPW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162356
Brc1ccc(NC(=O)c2c(NC(=O)CN(CC3CCCO3)C(=O)c3ccco3)sc3CCCc23)cc1	EMOLS-id_2225660,MCULE-9478370013,PC-id_2946207	572.471	YHULGOXOQWYMLT-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-162359
O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccco1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2	PC-id_94854364,ZINC22_59595482,CoCoCo_958939	572.471	YHULGOXOQWYMLT-SFHVURJKSA-N	00000010101000110000000010000000000000000000000000000000	25-01-162360
O=C(CN(C[C@H]1CCCO1)C(=O)c1ccco1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2	PC-id_94854365,CoCoCo_958940,ZINC22_59595488	572.471	YHULGOXOQWYMLT-GOSISDBHSA-N	00000010101000110000000010000000000000000000000000000000	25-01-162361
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)CF)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20538976,PC-id_135360617	572.475	NQUWKTKDNQCQQJ-JANGERMGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162362
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)CF)Cc1cc(ccc1)C(F)(F)F	PC-id_135360616,SCHEMBL20538975	572.475	NQUWKTKDNQCQQJ-IFXJQAMLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162363
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CC(n2nc1C(F)(F)F)CF)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20538977,PC-id_135360618	572.475	NQUWKTKDNQCQQJ-KTQQKIMGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162364
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)NC(=O)OCOP(=O)(O)O)C	PC-id_140781547	572.482	SYPQZIUADHFNCD-HXUWFJFHSA-N	00100010100000000001000010000000000000000000000000000000	25-01-162365
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)N(C(=O)O)COP(=O)(O)O)C	SCHEMBL17080602,PC-id_118368866	572.482	DEJACHOYAJMQQX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-162366
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(cc4)C(=O)NCCCN(C)C)c3C2)(C)C)c(Cl)ccc1	PC-id_24948262,SCHEMBL1985736	572.486	MBFKEKRZPWFJIH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162367
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)SC)C(F)(F)F	PC-id_135361154,SCHEMBL20539610	572.523	LOBZFUUTCRAOIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162368
CSc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18758507	572.523	LOBZFUUTCRAOIK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162369
Fc1cc(C[C@H](NC(=O)Cn2nc(c3C(C(Cc23)C)C)C#N)c2ncccc2c2cc(c(F)cc2)C(=O)N)cc(F)c1	PC-id_71204564,SCHEMBL14555736	572.58	UXOWRLGGDDGBJQ-SBSMMSGMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162370
Fc1cc(CC(NC(=O)Cn2nc(c3C(C(Cc23)C)C)C#N)c2ncccc2c2cc(c(F)cc2)C(=O)N)cc(F)c1	PC-id_78035815	572.58	UXOWRLGGDDGBJQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162371
CCOCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(OCC(F)(F)F)ncc1F	PC-id_69324122,SCHEMBL5131760	572.599	MFFIQKWOOLVHQY-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-162372
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)NC(c1ccc(cc1)C(=O)OC)C)C)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758488	572.619	MAOUEXWUYDLADM-BIAFCPFJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162373
OC[C@@H]1[C@@H](CO[Si](C(C)(C)C)(C)C)n2c([C@@]1(O)C(Cl)(Cl)Cl)cc(c2Br)Br	PC-id_102046442	572.619	YECXFPPLUJQDAW-XDMRBOTDSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162374
C[C@@](CCN1Cc2cc(C#Cc3ccc(COC(=O)N4CCC(O)CC4)cc3)cn2C1=O)(C(=O)NO)S(=O)(=O)C	CHEMBL4570377,PC-id_140904842	572.63	JDIYNEAMAMXYKU-HHHXNRCGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162375
CC(CCN1Cc2cc(cn2C1=O)C#Cc1ccc(cc1)COC(=O)N1CCC(CC1)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20484952,PC-id_135315466	572.63	JDIYNEAMAMXYKU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162376
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-6034879423,PC-id_3603877,EMOLS-id_11051508	572.656	OVNOLWYBUVKZAC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162377
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])C)C)sc2c1CCC2	CoCoCo_2661936,PC-id_97991674	572.656	OVNOLWYBUVKZAC-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162378
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])C)C)sc2c1CCC2	PC-id_97991673,CoCoCo_2661935	572.656	OVNOLWYBUVKZAC-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162379
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC1C=CCN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_140963671	572.658	XLYOUCKNGGYISY-NRWPOFLRSA-N	00000010100011110001000010000000000000000000000000000000	25-01-162380
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)(C)C	SCHEMBL4287321,PC-id_68987866	572.67	QKRLRXWCZTVYGB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162381
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc2CCCc2n1Cc1ccccc1)C(=O)OCCOc1ccccc1	MCULE-1524749334,EMOLS-id_328223094	572.671	XLHVRYXFCFCKHL-UHFFFAOYSA-N	00000010100100110000000010000000000000000000000000000000	25-01-162382
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)CC/C/2=Cc1cccc(c1)c1cccn1C(=O)OC(C)(C)C	SCHEMBL1004917	572.671	KDMJZRNNKSDSLJ-PTGBLXJZSA-N	00000010110000110000100010000000000000000000000000000000	25-01-162383
S(=O)(=O)(n1c2CCC(=Cc3cc(c4n(ccc4)C(=O)OC(C)(C)C)ccc3)c2cc1C(=O)OC)c1ccc(cc1)C	PC-id_66873810	572.671	KDMJZRNNKSDSLJ-UHFFFAOYSA-N	00000010110000110000100010000000000000000000000000000000	25-01-162384
CCOC(=O)n1c2c(CN(C2(C)C)C(=O)N2C[C@H](N(C[C@@H]2C)CC2CCOCC2)C)c(n1)Nc1nc(ncc1F)C	SCHEMBL20572027,PC-id_135388801	572.675	RROYDRUYXJNYCT-MSOLQXFVSA-N	00000010100010100001000010000000000000000000000000000000	25-01-162385
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)N1C[C@H](N(C[C@@H]1C)CC1CCOCC1)C)Nc1nc(ncc1F)C	PC-id_135388860,SCHEMBL20572098	572.675	REUPCIIAPHXOCK-MSOLQXFVSA-N	00000010100010100001000010000000000000000000000000000000	25-01-162386
CCOC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408621734	572.693	MBEDJBNMGAZMIC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162387
CN1CCN(CC1COCc1ccccc1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)Sc1cccc(c1)F	PC-id_89857856,SCHEMBL15327726	572.696	AKHWYJCKXOFTKD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162388
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(cc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC	PC-id_89723852,SCHEMBL15153276	572.698	IVEJGYWDWMSVSQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162389
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)C)NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)(C)C	SCHEMBL2922868,PC-id_68442181	572.698	YLUVVXWBXCIWAN-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162390
O=C(N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(C(C)(C)C)CC3)cc2)C(=O)OCC)C1)C(c1ccccc1)C	PC-id_21874046	572.698	YLUVVXWBXCIWAN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162391
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCN(CC1)CC(F)(F)F	PC-id_87056366	572.706	KQMYYYLEYSXREQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162392
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CC[C@H](N(C1)C)C(F)(F)F	PC-id_134166991,SCHEMBL19767331	572.706	SRLFZYFVRLPVKS-BNVZOUMQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162393
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CCC(N(C1)C)C(F)(F)F	PC-id_134170775,SCHEMBL19771943	572.706	SRLFZYFVRLPVKS-SJDLUZLQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162394
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(N(C1)C)C(F)(F)F	SCHEMBL19772000,PC-id_134170831	572.706	SRLFZYFVRLPVKS-ZGYBWILLSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162395
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CC[C@H](N(C1)C)C(F)(F)F	SCHEMBL18367898	572.706	SRLFZYFVRLPVKS-XZOYJPPVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162396
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](N(C1)C)C(F)(F)F	SCHEMBL18367899	572.706	SRLFZYFVRLPVKS-JLGINSKQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162397
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](N(C)C4)C(F)(F)F)Cc3s2)cc1	BindingDB_PC-id_145713318,PC-id_145713318,BindingDB-id_722748	572.706	SRLFZYFVRLPVKS-UJJNXARTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162398
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@H](N(C)C4)C(F)(F)F)Cc3s2)cc1	PC-id_145713319,BindingDB_PC-id_145713319,BindingDB-id_722749	572.706	SRLFZYFVRLPVKS-ZCAYSAGXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162399
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3s2)cc1	BindingDB_PC-id_87056366,BindingDB-id_722739,SCHEMBL16224751	572.706	KQMYYYLEYSXREQ-DEOSSOPVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162400
CN(c1ccc(cc1C)NCNc1ccc(s1)N1CCCC1)Nc1ccc(c(c1)C)/N=N/c1sc2c(n1)CCC2	SCHEMBL19648560	572.79	MABRCTNUTXCPRO-XAHDOWKMSA-N	00000010100100110001100010000000000000000000000000000000	25-01-162401
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408620337	573.004	NRRBEROJUPZKAN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162402
COC(=O)c1ccc(cc1)CCc1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)c1cc(ccc1)CCl	SCHEMBL15997335,PC-id_90377707	573.102	WWKFEKPABMDAPP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162403
[2H]C1(C[C@@H](CC[C@H]1C(F)(F)F)CN2[C@H](C3=C(C2=O)C=C(S3)C(=O)NCC4=NC=C(C=C4)S(=O)(=O)CC)C(C)C)[2H]	PC-id_154602977	573.191	KKLWMGAEJALONZ-GECYMYDOSA-N	00000010100010101000000010000000000000000000000000000000	25-01-162404
[2H]C([2H])C(C)[C@H]1C2=C(C=C(S2)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)CC)C(=O)N1CC4CCC(CC4)C(F)(F)F	PC-id_154602985	573.191	KKLWMGAEJALONZ-JHHSFYSYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-162405
CCOC(=O)N1C(=C2CN(C(C2=N1)(C)C)C(=O)NC3=C(C=CC=C3Br)C)NC(=O)C4(CCC4)C(C)(C)C	PC-id_153587078	573.195	PVEHKMATKDUBJS-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162406
CC1(c2c(CN1C(=O)O[C@@H](c1ccccc1)C(N(C)Cc1ccccc1)S)c(n[nH]2)NC(=O)c1ccc(cc1)F)C	PC-id_163971911	573.221	SQSGBLGWMXYVQW-GMMLNUAGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162407
C/C=C/C(=O)NC1=CC(=C(C=C1)C(=O)NC2=C3CN(C(C3=NN2C)(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4)OC	PC-id_164942140	573.306	YOCSYRCYJQEDIW-ZXXUSRDYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162409
C/C=C/C(=O)NC1=CC(=C(C=C1)C(=O)NC2=NN(C3=C2CN(C3(C)C)C(=O)N[C@H](CN(C)C)C4=CC=CC=C4)C)OC	PC-id_164942130	573.306	CJPNEOQBQPHKJV-ZXXUSRDYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162410
FC(F)(F)Oc1ccc(CC2N(CC=C(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)[O-])cc1	PC-id_69635376,SCHEMBL6010832	573.497	RDVCTTMKOJTKNR-UHFFFAOYSA-M	00000010100011110001100010000000000000000000000000000000	25-01-162411
FC(F)(F)Oc1ccc(C[C@H]2N(CC=C(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)[O-])cc1	SCHEMBL6010833,PC-id_69635378	573.497	RDVCTTMKOJTKNR-TUHVGIAZSA-M	00000010100011110001100010000000000000000000000000000000	25-01-162412
Brc1cc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c(OCCc2ccccc2)cc1	PC-id_17046624	573.522	NWLLAIQPPGORST-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162413
Brc1c(OCCc2ccccc2)ccc(C(=O)NC(=S)Nc2sc3c(CCC3)c2C(=O)OCC)c1	PC-id_17072981	573.522	ODAOWDHQRJVXIH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162414
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OCCCCCCC)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-6256571552,PC-id_18848996	573.574	FDWAZHGIFPNOEK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162415
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)[C@H]2NCCC2)cc(OC)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524082	573.611	MWFMRNOFTRITAH-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162416
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)NC=O)C	PC-id_88939963,SCHEMBL12640221	573.615	VUXHRWYEQWKXFT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162417
CN1CCN(CC1)c1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67250756,SCHEMBL4280821	573.615	ZSWZBAIQFWBMFR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162418
c1(NC(=O)CCCS(=O)(=O)c2nc(c3cccs3)cc(C(F)(F)F)n2)sc2c(CCC2)c1C(=O)OCC	GD-id_ZINC03655107,EMOLS-id_7709718,PC-id_4046772,TIMTEC260412,MCULE-1978255466,CoCoCo_2005175,ZINC22_3655107	573.628	KGDMETQJVHTOOO-UHFFFAOYSA-N	00000010100100100001100010000000000000000000000000000000	25-01-162419
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_408614481	573.638	CSASVTKOLREJGW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162420
O1[C@](Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)Cc2onc(n2)c2ccc(C(C)(C)C)cc2)cc1)C	PC-id_5278853	573.643	VKGPKAMLOMBKSV-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162421
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)Cc2onc(n2)c2ccc(C(C)(C)C)cc2)cc1)C	PC-id_78381702	573.643	VKGPKAMLOMBKSV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162422
CC(C)(C)C(=O)Nc1c(ncc(c1)C(F)(F)F)CN1Cc2c(C1)sc(c2)C(=O)N1CCC(CC1)S(=O)(=O)N	PC-id_135330995,SCHEMBL20502283	573.651	QCRIXHDPUWHMBN-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-162423
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N(C)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524079	573.655	HCVLSLKWNIKQSW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162424
CCOC(=O)[N+]1(N=C(c2c1cco2)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)NC(c1ccccc1)(C)C	SCHEMBL1434605,PC-id_67031154	573.663	WNQOVFRVHFBAMW-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-162425
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_4205715,MCULE-6595576983,EMOLS-id_11051688	573.684	GKAZINHBRYWADS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162426
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_3357582,EMOLS-id_11051670,MCULE-8714080851	573.684	OMPPPNIYXXIKBH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162427
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_97991727,CoCoCo_2662467	573.684	GKAZINHBRYWADS-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162428
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_97991728,CoCoCo_2662468	573.684	GKAZINHBRYWADS-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162429
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	PC-id_97991715,CoCoCo_2661971	573.684	OMPPPNIYXXIKBH-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162430
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	PC-id_97991716,CoCoCo_2661972	573.684	OMPPPNIYXXIKBH-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162431
COCCN(c1cc(ccc1N1CCNCC1)C(=O)Nc1nn(c2c1CN(C2)C(OC(C)(C)C)O)C(=O)OCC)C	PC-id_143531830	573.684	HJVIJZGZBUGWLL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162432
CCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434593,PC-id_67031147	573.686	BHZPJKVILWXUFD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162433
CCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_11330606,SCHEMBL1434592	573.686	LSHLJKLHXNTHAN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162434
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)(C(F)(F)F)O	PC-id_134170757	573.691	LQQASAZADXZKHB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162435
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CC[C@](CC1)(O)C(F)(F)F	SCHEMBL19771924	573.691	LQQASAZADXZKHB-UMBHGYNTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162436
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CC[C@@](CC1)(O)C(F)(F)F	SCHEMBL19772043	573.691	LQQASAZADXZKHB-QNEWDPDGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162437
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@](CC1)(O)C(F)(F)F	SCHEMBL18367908	573.691	LQQASAZADXZKHB-WYRQLCSISA-N	00000010100010110001000010000000000000000000000000000000	25-01-162438
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@](CC1)(O)C(F)(F)F	SCHEMBL18367911	573.691	LQQASAZADXZKHB-VVMVZBAXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162439
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3F)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3583773,MCULE-4200445359,EMOLS-id_24429418	573.702	NUCCMWXDFNSCLP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162440
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(F)c3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_5057333,MCULE-5020082357,EMOLS-id_22701352	573.702	HAXUURJYMHLIHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162441
CCCCn1c(nnc1CNC(=O)c1cccc(c1)F)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662405,PC-id_98229420	573.702	HAXUURJYMHLIHR-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162442
CCCCn1c(nnc1CNC(=O)c1ccccc1F)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662544,PC-id_98359427	573.702	NUCCMWXDFNSCLP-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162443
CCCCn1c(nnc1CNC(=O)c1cccc(c1)F)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229419,CoCoCo_2662406	573.702	HAXUURJYMHLIHR-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162444
CCCCn1c(nnc1CNC(=O)c1ccccc1F)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98359428,CoCoCo_2662543	573.702	NUCCMWXDFNSCLP-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162445
OC(=O)CCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537122	573.704	SVOLHIPVFAHPRV-HXUWFJFHSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162446
[Si](OC(O[Si]C)C(c1ccc(COC(=O)N2CCN(CC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)CC2)cc1)(C)C)C	PC-id_71205539	573.746	MSEMANYVUQOXPG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162447
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	MCULE-2944127542,EMOLS-id_11051402,PC-id_4358057,CoCoCo_2661464	573.75	NEJLSDKYZWOQLS-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-162448
O=C([C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)OCc1ccccc1	PC-id_140817088	573.758	PZVHEOZSPQMKTF-DEOSSOPVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162449
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N[C@@H](c1ccccc1)COC(=O)c1ccccc1	PC-id_140817057	573.758	OACXDCVPKPOJQQ-XMMPIXPASA-N	00001010100000110001000010000000000000000000000000000000	25-01-162450
BrC1(Br)SC(Br)(Br)c2c1c(sc2C(=O)OC)C(=O)OC	PC-id_10393317	573.898	JCTYPESULZBAEM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162451
Clc1c(N/N=C/C(=Nn3nc(nc23)CC)C(C)(C)C)ccc(S(=O)(=O)Nc2cc(c(cc2)C(=O)O)C(=O)O)c1	PC-id_60040723	574.009	DMMZQVWLSVYELR-USHMODERSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162452
Clc1c(NN=C2C(=Nn3nc(nc23)CC)C(C)(C)C)ccc(S(=O)(=O)Nc2cc(c(cc2)C(=O)O)C(=O)O)c1	PC-id_68366015	574.009	DMMZQVWLSVYELR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162453
Clc1c(COc2c(OC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(F)c1	PC-id_19660690	574.02	GAOBIMJFOPVPSK-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162454
Clc1c(COc2c(OC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(F)c1	PC-id_73635142	574.02	GAOBIMJFOPVPSK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162455
Clc1c(COc2c(OCC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(F)c1	PC-id_19660730	574.02	DUWOLCZDMLAYLE-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162456
Clc1c(COc2c(OCC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(F)c1	PC-id_73635181	574.02	DUWOLCZDMLAYLE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162457
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)c(F)ccc1	PC-id_5185655	574.02	ILVLNOIANGYKBG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162458
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)c(F)ccc1	PC-id_9611152	574.02	ILVLNOIANGYKBG-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162459
CC(C)[C@H]1c2c(CN1Cc1ncc(cn1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC1CCCC1	SCHEMBL19772081,PC-id_134170909	574.158	TTZPGRFYOUMMIG-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-162460
[2H]C([2H])([2H])C(C)[C@H]1C2=C(C=C(S2)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)CC)C(=O)N1CC4CCC(CC4)C(F)(F)F	PC-id_154602969	574.197	KKLWMGAEJALONZ-MQDAIJFUSA-N	00000010100010101000000010000000000000000000000000000000	25-01-162461
Brc1c(c(Br)c(OC)c(OC)c1OC)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N	PC-id_1680231	574.24	SQGVPYBKFPBBTB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162462
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)N(c1ccccc1Cl)Cl)NC(=O)c1ccc(cc1)C(=O)OC	SCHEMBL1985202,PC-id_87320129	574.413	YHRVFZOBWGUSBR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162463
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)C(=O)OC)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	PC-id_44185220,SCHEMBL1985201	574.413	ZFPPYGNUDDZHBA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162464
CCCOc1nc(nc(n1)I)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1C[C@@H]1c1ccccc1	SCHEMBL13470588	574.417	PEEGYOROSYHOIJ-IURRXHLWSA-N	00100010100000110001100010000000000000000000000000000000	25-01-162465
CCCOc1nc(nc(n1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1)I	PC-id_89096581	574.417	PEEGYOROSYHOIJ-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-162466
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)c(Cl)ccc1	PC-id_5019064	574.475	HGUCRUUSNFLCKL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162467
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)c(Cl)ccc1	PC-id_9689004	574.475	HGUCRUUSNFLCKL-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162468
c1(N=Cc2cc(Br)ccc2OC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-6081824801,PC-id_1578852	574.485	GTWMCSVMRFTCAU-UHFFFAOYSA-N	00000010100000110000100010000000000000000000000000000000	25-01-162469
CCOC(=O)c1c2CCCc2sc1/N=Cc1cc(Br)ccc1OC(=O)c1ccc(cc1)c1ccccc1	GD-id_ZINC04480223,ZINC22_102658845,CoCoCo_6878997,SPECS-id_AE-848/36501024,EMOLS-id_45928258	574.485	GTWMCSVMRFTCAU-CAQPMQTCSA-N	00000010100000110000100010000000000000000000000000000000	25-01-162470
CCOC(=O)c1c2CCCc2sc1/N=C/c1cc(Br)ccc1OC(=O)c1ccc(cc1)c1ccccc1	ZINC22_4480223,PC-id_9620014,EMOLS-id_46509125,STOCK7S-64600,CoCoCo_6878998	574.485	GTWMCSVMRFTCAU-KCSSXMTESA-N	00000010100000110000100010000000000000000000000000000000	25-01-162471
FC(F)(F)Oc1ccc(CC2N(CC=C(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)O)cc1	PC-id_69635377	574.505	RDVCTTMKOJTKNR-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-162472
FC(F)(F)Oc1ccc(C[C@H]2N(CC=C(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)O)cc1	PC-id_69635379	574.505	RDVCTTMKOJTKNR-TUHVGIAZSA-N	00000010100011110001100010000000000000000000000000000000	25-01-162473
FC(F)(F)Oc1ccc(COC(=O)N2CCC(=CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_69635371,SCHEMBL6010825	574.505	FSUJVZHMJUEMOP-AREMUKBSSA-N	00000010100011110001100010000000000000000000000000000000	25-01-162474
FC(F)(F)Oc1ccc(COC(=O)N2CCC(=CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_77712983	574.505	FSUJVZHMJUEMOP-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-162475
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)N1CCC(CC1)OCC=Cc1ccc(cc1)OC(F)(F)F	SCHEMBL2093476,PC-id_87333615	574.548	KLMJQDBVAIJBPO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162476
FC(F)(F)Oc1ccc(C=CCOC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_6321004	574.548	KLMJQDBVAIJBPO-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162477
FC(F)(F)Oc1ccc(/C=C/COC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2093472,PC-id_5278843	574.548	KLMJQDBVAIJBPO-OYBMRZNASA-N	00000010100010110001100010000000000000000000000000000000	25-01-162478
COc1ccc(c(c1)NC(=O)[C@@H]1CCCN1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749879,SCHEMBL1373637	574.6	UCOCMYJBKGFVEF-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162479
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC1CCOCC1)N(C)C	PC-id_16665526,SCHEMBL1374164	574.643	BYRFSKYDWNIUGR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162480
CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC22_408601576	574.666	ANTAIJUGCRNZDK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162481
O=C(c1sc2c(c1)C(C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)C1CCCN1C	SCHEMBL2464118,PC-id_58540240	574.669	NELXTKOZGBZYTQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162482
O=C(c1sc2c(c1)C(C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@@H]1CCCN1C	PC-id_140621771	574.669	NELXTKOZGBZYTQ-DCCUJTHKSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162483
O=C(c1sc2c(c1)C(C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@H]1CCCN1C	PC-id_140621777	574.669	NELXTKOZGBZYTQ-BRIWLPCBSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162484
O=C(c1sc2c(c1)[C@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@]1(C)CCCN1	PC-id_67417955,SCHEMBL2463590	574.669	OYFSMWVGXZBXDH-VIZCGCQYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162485
O=C(c1sc2c(c1)[C@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@@]1(C)CCCN1	PC-id_67418326,SCHEMBL2464638	574.669	OYFSMWVGXZBXDH-PDDLMNHVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162486
O=C(c1sc2c(c1)[C@@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@@]1(C)CCCN1	SCHEMBL2461867,PC-id_67417296	574.669	OYFSMWVGXZBXDH-FREGXXQWSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162487
O=C(c1sc2c(c1)[C@@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@H]1CCCN1C	PC-id_58540096,SCHEMBL9984623	574.669	NELXTKOZGBZYTQ-KCWPFWIISA-N	00000010100000111001100010000000000000000000000000000000	25-01-162488
O=C(c1sc2c(c1)[C@@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@@H]1CCCN1C	PC-id_58540333,SCHEMBL2468755	574.669	NELXTKOZGBZYTQ-HOFKKMOUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162489
O=C(c1sc2c(c1)[C@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@@H]1CCCN1C	PC-id_58540340,SCHEMBL9984930	574.669	NELXTKOZGBZYTQ-WNCULLNHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162490
O=C(c1sc2c(c1)[C@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@H]1CCCN1C	SCHEMBL9985008,PC-id_58539988	574.669	NELXTKOZGBZYTQ-YIXXDRMTSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162491
s1c2CC(C(O)c2cc1C(=O)Nc1cc(C2NNC(=O)C(Nc3ncc(cc3)c3n(ccc3)C)C2)ccc1F)(C)C	PC-id_77291590	574.669	IBQQVXILVUZQFY-UHFFFAOYSA-N	00000010110010111001100010000000000000000000000000000000	25-01-162492
CCCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434566,PC-id_67031132	574.671	AFYFRGSSRBFQCW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162493
CCCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67031131,SCHEMBL1434563	574.671	AFYFRGSSRBFQCW-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162494
CCC(OC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C	PC-id_67030966,SCHEMBL1434237	574.671	ZZUNKTHXPVLSSB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162495
CCC(OC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C	PC-id_67030963,SCHEMBL1434233	574.671	ZZUNKTHXPVLSSB-IAIRZMIISA-N	00000010100010110001100010000000000000000000000000000000	25-01-162496
CCOC(=O)N1NC(c2c1cco2)(NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)NC(c1ccccc1)(C)C	PC-id_67031153,SCHEMBL1434604	574.671	VOZMKYUTGRQEEO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162497
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)C	SCHEMBL2925901,PC-id_68443438	574.671	JUOVVKZYLJHWGS-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162498
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C)c1ccccc1	SCHEMBL1433907,PC-id_67030778	574.671	FRVAJBRTBBXMFT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162499
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)C)c1ccccc1	SCHEMBL1434214,PC-id_67030954	574.671	UFSPBHRHCRAGFB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162500
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)C)c1ccccc1	PC-id_67030952,SCHEMBL1434212	574.671	UFSPBHRHCRAGFB-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162501
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C)c1ccccc1	SCHEMBL1433906,PC-id_67030777	574.671	FRVAJBRTBBXMFT-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162502
O(C(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(CC3)C(C)C)cc2)C(=O)OCC)C1)c1ccccc1)C	PC-id_21874052	574.671	JUOVVKZYLJHWGS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162503
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC1CCCN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])C	SCHEMBL20754619,PC-id_137509771	574.674	QLZJAHDGVCFKNX-NRWPOFLRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162504
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)CC1OCCN(C1)CC(F)(F)F	SCHEMBL18367996	574.679	JJIKDRVIVZQPKM-YSYXNDDBSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162505
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1Cc2c(C1=O)scc2N=C(c1ccccc1)c1ccccc1)OC	PC-id_137355454,SCHEMBL20579915	574.71	RXNYTJUCYSGPCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162506
CCOc1c(ccc(c1)[C@H](CN1Cc2c(C1=O)scc2N=C(c1ccccc1)c1ccccc1)S(=O)(=O)C)OC	PC-id_137362130,SCHEMBL20587792	574.71	GJYMRYIMURDOSV-NDEPHWFRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162507
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1Cc2c(C1=O)scc2N=C(c1ccccc1)c1ccccc1)OC	PC-id_137355453,SCHEMBL20579914	574.71	RXNYTJUCYSGPCG-AREMUKBSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162508
CCOC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408625472	574.71	VHSNRNNEQMBANF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162509
NS(=O)(=O)C1CCN(CC1)C(=O)c1cc2CN(Cc2s1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1	SCHEMBL20502373,BindingDB-id_992388,PC-id_135331078	574.712	OTSRCAKNQVFACP-UHFFFAOYSA-N	00100010100010101000100010000000000000000000000000000000	25-01-162510
CCOC(=O)[N+]1(N=C(c2c1scc2)NC(=O)c1ccc(cc1)CN1CCCCC1)C(=O)NC(c1ccccc1)(C)C	PC-id_67030746,SCHEMBL1433861	574.714	KJHFJMGPMXYECC-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-162511
CCOC(=O)c1c(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(SC)cc2)sc2c1CCC2	ZINC22_408612097	574.732	UFFWEVHLQNQLQW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162512
CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)sc2c1CCC2	ZINC22_408604842	574.732	IPSFQUNLZPYEDR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162513
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1C(=O)O)C(c1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_70869690,SCHEMBL13269868	574.786	ZSVMQQBMGAKIDX-JCDLHITASA-N	00000010100000110001000010000000000000000000000000000000	25-01-162514
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1C(=O)O)[C@@H](c1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_70869689,SCHEMBL13269867	574.786	ZSVMQQBMGAKIDX-AMSOURPBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162515
[Si](OC(C1N(C(CC1)Cc1ccc(NC(=O)C2n3nccc3CC2)cc1)C(=O)O)c1ccccc1)(C(C)(C)C)(C)C	PC-id_77934602	574.786	ZSVMQQBMGAKIDX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162516
CS(=O)(=O)OC[C@@H]1C[C@@H](c2c1cn(n2)Cc1ccccc1)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_102511472	574.806	VYHMIMPIUTXWCR-RRPNLBNLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162517
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)Cl)C	SCHEMBL18740104	574.903	UVUITRRVOMCMMC-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162518
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(Cl)cc(c1)C(F)(F)F)C	SCHEMBL18758694	574.903	WYVGZTUNSJACCT-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162519
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)Cl)C	SCHEMBL18740103	574.903	UVUITRRVOMCMMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162520
OC(=O)c1ccc(c(c1)C)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)Cl)C	SCHEMBL18740083	574.903	XAXVINSTLUSIQX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162521
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)O[C@@H](c1ccccc1)CN(CCc1scc(n1)C(=O)Cl)C	PC-id_143492502	575.08	FZTACOFWZKFPBL-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162522
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2ccccc2C)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_19119701,MCULE-9666758448	575.099	ZBSQTVXOXKFLOG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162523
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCC1CCCO1	MCULE-2083859566,PC-id_19119846	575.099	OEOCFKAQPCMDBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162524
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)cc1C)C	PC-id_19641640	575.142	RLHNHSXLIWETKB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162525
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1)C	PC-id_17302773	575.142	LWJXEVLMZQQGIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162526
[2H]C1C[C@@H](CC[C@H]1C(F)(F)F)CN2[C@H](C3=C(C2=O)C=C(S3)C(=O)NCC4=NC=C(C=C4)S(=O)(=O)CC)C(C)C([2H])([2H])[2H]	PC-id_154602975	575.204	KKLWMGAEJALONZ-SGYIJSQLSA-N	00000010100010101000000010000000000000000000000000000000	25-01-162527
O=C(N[C@H](c1ccc(cc1)Br)C)Cc1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)C(F)(F)F	PC-id_140322382	575.344	PNWRKAXIKHNSKV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162528
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NCc1ccco1	PC-id_24224108,MCULE-5440311120	575.451	JHHSXCSNKVOFIE-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-162529
FC(F)(F)Oc1ccc(CC2N(CCC(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)[O-])cc1	SCHEMBL6010716,PC-id_69635253	575.513	UWJIPNJSTUKKHA-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-162530
FC(F)(F)Oc1ccc(C[C@@H]2N(CCC(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)[O-])cc1	SCHEMBL6010722,PC-id_69635261	575.513	UWJIPNJSTUKKHA-VJLZTBLDSA-M	00000010100010110001100010000000000000000000000000000000	25-01-162531
CN1CCN(CC1)c1ccc(c(c1)[N+](=O)[O-])C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL4290854,PC-id_57703864	575.588	QRYAXVHAKZIPES-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162532
CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL4292286,PC-id_57703863	575.588	KGIQKJIDBLRCMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162533
CCN(c1ccc(cc1N=O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)CCN(C)C	SCHEMBL13857380,PC-id_89188396	575.631	GWHKWNLWFSCJDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162534
CN(CCN(c1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	SCHEMBL4283865,PC-id_68986118	575.631	KMQIJEWPOLXFGR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162535
CN(CC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N(C)C)C	SCHEMBL4286776,PC-id_68987609	575.631	LRDQFFMQYYUXOJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162536
s1cc(Cc2n3C(CCc3nn2)C(=O)NC(Cc2ccc(NC(=O)c3c(OC)cccc3OC)cc2)C(=O)O)cc1	PC-id_11692707	575.635	BAFOYFVZPVGPFA-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-162537
CC(C)[C@H]1c2c(CN1Cc1cc(c(cc1)C#N)OC(F)F)sc(n2)NC(=O)Cc1cc(c(cc1)C#N)C1CCCC1	SCHEMBL19771941,PC-id_134170773	575.672	GOLDAHODVRZUJG-LJAQVGFWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162538
NS(=O)(=O)C1CCN(CC1)C(=O)c1nc2CN(Cc2s1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1	SCHEMBL20502404,PC-id_135331106,BindingDB-id_992387	575.7	DLPZZAKCLANEAQ-UHFFFAOYSA-N	00100010100010101001100010000000000000000000000000000000	25-01-162539
CCOC(=O)N1NC(c2c1scc2)(NC(=O)c1ccc(cc1)CN1CCCCC1)C(=O)NC(c1ccccc1)(C)C	SCHEMBL1433860,PC-id_67030745	575.722	CJGOBXCGTYKWCK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162540
Brc1sc(Br)c2c1C(NC(=O)CCN1CCN(CC1)Cc1c(Cl)cccc1)CC2=O	PC-id_11700042	575.744	GWGZGDFNIYFORT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162541
Cc1ncc(cn1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCc1ccccc1	SCHEMBL19772082,PC-id_134170910	575.745	CAUGIUVRQYMRHC-LJAQVGFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162542
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(ccc1)C(F)(F)F	PC-id_24947887,SCHEMBL1984780	576.013	MBKNGILHCADYSO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162543
c1ccc(cc1)Oc1ccc(cc1)N1C(=O)C(=CC2C(Nn3c2ccn3)Sc2ccc(cc2)Cl)C(NC1=S)O	PC-id_90855548	576.089	KXACZUIMHAESJE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162544
CC1CC(=CC=C1CN1CCn2c1c(c(n2)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(cc1)Br)C(F)(F)F	PC-id_164057587	576.096	WEAPEFKKFQIOST-KZUDCZAMSA-N	00000010100011110001000010000000000000000000000000000000	25-01-162545
Brc1c(C(=O)c2n(c3C(CCCCCC)C(=O)Oc3c2C)C)cc(Br)cc1Br	PC-id_15485823,SCHEMBL7677230	576.116	HXVMJCOMGXGZLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162546
COC(=O)C1=C2CCOC2=NN1CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=C)N	PC-id_160310083	576.198	GPZHHASGAGJDLW-HXUWFJFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162547
CC1(CCC(CC1)CC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_164976784	576.22	HJRGKYPVMRDUNC-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-162548
FB(n1c2cc(sc2cc1/C(=C/1N=c2c(=C1)sc(c2)/C=C/c1ccccc1)/C(F)(F)F)/C=C/c1ccccc1)F	PC-id_139258902	576.41	YYPFKJBWAVCPAF-VTEKGFFYSA-N	00000010100000110000000110000000000000000000000000000000	25-01-162549
Clc1c(COc2c(OC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_4121001	576.448	JJOCLABGHDPCFB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162550
Clc1c(COc2c(OC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_9648119	576.448	JJOCLABGHDPCFB-XKJRVUDJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162551
FC(F)(F)Oc1ccc(CC2N(CCN(C2)c2cc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)ccc2)C(=O)[O-])cc1	PC-id_69635959,SCHEMBL6012362	576.501	YLYHUVZAQKLAIK-UHFFFAOYSA-M	00000010100010110001100010000000000000000000000000000000	25-01-162552
FC(F)(F)Oc1ccc(C[C@H]2N(CCN(C2)c2cc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)ccc2)C(=O)[O-])cc1	SCHEMBL6012368,PC-id_69635963	576.501	YLYHUVZAQKLAIK-OEPVSBQMSA-M	00000010100010110001100010000000000000000000000000000000	25-01-162553
FC(F)(F)Oc1ccc(CC2N(CCC(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)O)cc1	PC-id_69635254	576.521	UWJIPNJSTUKKHA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162554
FC(F)(F)Oc1ccc(C[C@@H]2N(CCC(C2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)O)cc1	PC-id_69635262	576.521	UWJIPNJSTUKKHA-VJLZTBLDSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162555
FC(F)(F)Oc1ccc(COC(=O)N2CCC(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_69635245,SCHEMBL6010709	576.521	IVNBHIKSFYERMP-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162556
FC(F)(F)Oc1ccc(COC(=O)N2CCC(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_77712932	576.521	IVNBHIKSFYERMP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162557
FC(F)(F)Oc1ccc(CNC(=O)N2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5541306,PC-id_69481125	576.524	MMGPUPDZDYZTIP-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-162558
FC(F)(F)Oc1ccc(CNC(=O)N2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5541313,PC-id_69481127	576.524	MMGPUPDZDYZTIP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162559
Brc1ccc(cc1)C(C1Sc2n(C1O)nc(n2)C)N1CCN(CC1)C(c1ccccc1)c1ccccc1	SCHEMBL14665178,PC-id_71241365	576.55	COJFVERSVNANIT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162560
CCOC(=O)c1nc2c(n1C)CN(C2)C(CC([C@@H](c1cc(F)ccc1F)OF)NC(=O)OC(C)(C)C)CC(F)F	PC-id_144979272	576.556	WPLORNHQDRLVNW-IVMBPFOVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162561
CCOC(=O)n1nc2c(c1NC(=O)C1(CC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(C)cccc1Br	PC-id_140883022	576.558	ZRHMBSJHPMKCMQ-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-162562
FC(F)(F)Oc1ccc(COCCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_5278912,SCHEMBL2093101	576.564	KVQMOAYHLZSQCF-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162563
FC(F)(F)Oc1ccc(COCCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2093104,PC-id_67275053	576.564	KVQMOAYHLZSQCF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162564
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C(=O)OCC	PC-id_4094251	576.581	GUPJNZVXVDQMHX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162565
O(C(=O)C1(n2n(CC1C(C)C)c(c(c2=O)/C(=C(/c1ccccc1)C(=O)OC)/c1ccccc1)C(=O)OC)C(=O)OC)C	PC-id_11813859	576.594	DVULZMJAJAZMDU-FCQUAONHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162566
O(C(=O)C1(n2n(CC1C(C)C)c(c(c2=O)C(=C(c1ccccc1)C(=O)OC)c1ccccc1)C(=O)OC)C(=O)OC)C	PC-id_73113985	576.594	DVULZMJAJAZMDU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162567
O=C1n2c(nnc2N=C1CC(=O)c1ccccc1)CCCCCCCc1n2c(N=C(C2=O)CC(=O)c2ccccc2)nn1	NSC625850,CoCoCo_5683696,PC-id_362246	576.605	ZZSIXILZILTFBD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162568
COCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433476,PC-id_67030520	576.643	IJKXVKYGXLKCEC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162569
COCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433474,PC-id_67030518	576.643	IJKXVKYGXLKCEC-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162570
Brc1cccc(n1)CCCCCC1(CCCC1)C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N	SCHEMBL12747863,PC-id_58201323	576.644	HKZRNULKDZBCJH-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-162571
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4C#N)C(F)(F)F)Cc3s2)cc1	BindingDB-id_722764,PC-id_145713332,BindingDB_PC-id_145713332	576.653	VPPKONOGBBBKSC-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162572
N#Cc1ccc(c(c1)C(F)(F)F)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC	SCHEMBL18367965	576.653	VAKSLVPLKFKSGR-VWLOTQADSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162573
CCCCOP(OCCCC)OCOCCC(CNc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O)(C)C	PC-id_70962460,SCHEMBL13659070	576.661	CFVWIQLYRPQCIF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162574
CCOC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408563769	576.683	PGOHGPVOEGLGHV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162575
COC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408614005	576.683	ZQRGBRHSOWOQHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162576
COC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408563766	576.683	PEUGYXFFNVFUGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162577
CC1(Cc2c(C1O)cc(s2)C(=O)Nc1c(ccc(c1)/C(=C/C(=Nc1ncc(cc1)C1CCCN1C)C(=O)N)/N)F)C	PC-id_134355549	576.685	PHLLUQYOSLLUEJ-FEJGZZTRSA-N	00000010100000111000100010000000000000000000000000000000	25-01-162578
CC1(Cc2c(C1O)cc(s2)C(=O)Nc1c(ccc(c1)/C(=C/C(=Nc1ncc(cc1)[C@@H]1CCCN1C)C(=O)N)/N)F)C	PC-id_134355354	576.685	PHLLUQYOSLLUEJ-QGUDBFNHSA-N	00000010100000111000100010000000000000000000000000000000	25-01-162579
CN1CCCC1c1ccc(nc1)N/C(=C/C(=N)c1ccc(c(c1)NC(=O)c1cc2c(s1)CC(C2O)(C)C)F)/C(=O)N	SCHEMBL19981970	576.685	LWXNPJJWSWDZMW-GKGMBXPCSA-N	00000010100000111000100010000000000000000000000000000000	25-01-162580
CN1CCC[C@H]1c1ccc(nc1)N/C(=C/C(=N)c1ccc(c(c1)NC(=O)c1cc2c(s1)CC(C2O)(C)C)F)/C(=O)N	SCHEMBL19981742	576.685	LWXNPJJWSWDZMW-PKWCKQNKSA-N	00000010100000111000100010000000000000000000000000000000	25-01-162581
s1c2CC(C(O)c2cc1C(=O)Cc1cc(c2c(Nc3nn(c(CN4CCC4)c3)C)c(=O)n(nc2)C)ccc1F)(C)C	PC-id_58540276	576.685	SPYDDSJERSTMFU-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162582
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(Cl)cccc1)CC2=NO	PC-id_11678658	576.732	MJOPIHGOIJLGFL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162583
N1(CCCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)C)SC1=S	MCULE-8102283503,PC-id_73468657	576.753	AZDDCNHSOPBJMN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162584
s1c2c(CCC2)c(c1NC(=O)CCCN1C(=O)/C(=C/c2ccc(cc2)C)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884060	576.753	AZDDCNHSOPBJMN-HAHDFKILSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162585
CC[C@]1(c2c(CN1Cc1ccc(cc1)C#N)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1)C	PC-id_134170781,SCHEMBL19771949	576.773	YYNAHWLDUSWASC-HKBQPEDESA-N	00000010100000110001000010000000000000000000000000000000	25-01-162586
CC(C)[C@@H]1c2c(CN1Cc1cccc(c1)C#N)sc(n2)NC(=O)Cc1c(cc(cc1)S(=O)(=O)C)C1CCCCC1	SCHEMBL19771984,PC-id_134170816	576.773	FCWHAYYBXDULOV-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162587
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1CN(C1)CCO[Si](C(C)(C)C)(C)C)C	PC-id_140904871	576.78	DNCJJGRWMUIGOC-HHHXNRCGSA-N	00001010100000000001000010000000000000000000000000000000	25-01-162588
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2ccccc2C)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_19119717,MCULE-5270211457	577.115	IGNSTQSUGVRIHI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162589
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCCCOCC	PC-id_19119861,MCULE-8301295309	577.115	AJGIBGZIHBRZJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162590
CCCCCCCCC(CCCCCC)CCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	SCHEMBL17412781,PC-id_118641353	577.456	ZBXIJLOWRNXNCD-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162591
CCCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)CCCCCCCC	PC-id_102108334	577.456	VVCQQWICGJIWKJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162592
FC(F)(F)Oc1ccc(CC2N(CCN(C2)c2cc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)ccc2)C(=O)O)cc1	PC-id_69635960	577.509	YLYHUVZAQKLAIK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162593
FC(F)(F)Oc1ccc(C[C@H]2N(CCN(C2)c2cc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)ccc2)C(=O)O)cc1	PC-id_69635964	577.509	YLYHUVZAQKLAIK-OEPVSBQMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162594
FC(F)(F)Oc1ccc(COC(=O)N2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_10370937,SCHEMBL5537692	577.509	ZQJDWBXBOUAVET-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162595
FC(F)(F)Oc1ccc(COC(=O)N2CCN(CC2)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_9985611,SCHEMBL5544110	577.509	ZQJDWBXBOUAVET-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162596
FC(F)(F)Oc1ccc(COC(=O)N2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5539089,PC-id_10438136	577.509	ZQJDWBXBOUAVET-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-162597
FC(F)(F)Oc1ccc(COC(=O)N2CCN(CC2)c2cc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)ccc2)cc1	PC-id_77713143	577.509	HVRFXHMPQIRPCH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162598
FC(F)(F)Oc1ccc(COC(=O)N2CCN(CC2)c2cc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)ccc2)cc1	SCHEMBL6012358,PC-id_69635958	577.509	HVRFXHMPQIRPCH-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-162599
CCOC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408628326	577.51	WVHIUZGPUCEUOD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162600
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_21166761	577.514	XWAVGMHZKDKDEK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162601
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)C)cc1	PC-id_17306422	577.514	YLCUTZVUKZTCLM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162602
FC(F)(F)Oc1ccc(OCCNC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2097847,PC-id_67276060	577.552	QYXZGSGZWNDJEW-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162603
FC(F)(F)Oc1ccc(OCCNC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2097850,PC-id_67276061	577.552	QYXZGSGZWNDJEW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162604
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3c2nnc3C(O)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_21026763	577.593	GMDIWBXCOQVRIU-XQNSMLJCSA-N	00000011100000110001100010000000000000000000000000000000	25-01-162605
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3c2nnc3C(O)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_73734478	577.593	GMDIWBXCOQVRIU-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-162606
Brc1cccc(n1)CCCCN1CCC(C1)(C)C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N	SCHEMBL12747816,PC-id_58201393	577.632	JTNDMEJKIPAEGG-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-162607
CC(C[C@@H](C(=O)NCCCCNS(=O)(=O)c1ccc(cc1C(F)(F)F)F)NC(=O)c1sc2c(c1)CCC2)C	PC-id_16063603,SCHEMBL4142007	577.655	CWANKAPPLFMHNK-IBGZPJMESA-N	00000010100000110000000010000000000000000000000000000000	25-01-162608
Fc1ccc(c(c1)C(F)(F)F)S(=O)(=O)NCCCCNC(=O)[C@H](c1c(sc2c1CCC2)C(=O)N)CC(C)C	SCHEMBL4142003,PC-id_68929184	577.655	JGFMWSNMLJCZRQ-KRWDZBQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162609
s1c2CCCc2cc1C(=O)NC(CC(C)C)C(=O)NCCCCNS(=O)(=O)c1c(cc(F)cc1)C(F)(F)F	PC-id_73230295	577.655	CWANKAPPLFMHNK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162610
s1c2c(c(C(CC(C)C)C(=O)NCCCCNS(=O)(=O)c3c(cc(F)cc3)C(F)(F)F)c1C(=O)N)CCC2	PC-id_77574307	577.655	JGFMWSNMLJCZRQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162611
Fc1ccc(cc1NC(=O)c1cc2c(s1)CC(C2O)(C)C)c1cnn(c(=O)c1Nc1nn(c(c1)CN1CCC1)C)C	PC-id_70641273,SCHEMBL12044832	577.673	JRFFZXHTDMQFDB-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162612
O=C(c1sc2c(c1)C(C(C2)(C)C)O)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	SCHEMBL2490951,PC-id_58540017	577.673	VANXUKCUOCIOOG-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162613
O=C(c1sc2c(c1)[C@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	PC-id_58540343,SCHEMBL9984471	577.673	VANXUKCUOCIOOG-AREMUKBSSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162614
O=C(c1sc2c(c1)[C@@H](C(C2)(C)C)O)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	SCHEMBL9985016,PC-id_58540188	577.673	VANXUKCUOCIOOG-SANMLTNESA-N	00001010100000110001100010000000000000000000000000000000	25-01-162615
S(=O)(=O)([O-])CCN1C(Oc2c1n(c(c2)C)C)C/C=C(/C=C
/SC(=S)N(C1=O)CS(=O)(=O)NC(=O)C)C	PC-id_59893231	577.695	RFFNYPOIDABCBS-WQCYXDSCSA-M	00000010100000000001000010000000000000000000000000000000	25-01-162616
S(=O)(=O)([O-])CCN1C(Oc2c1n(c(c2)C)C)CC=C(C=C1SC(=S)N(C1=O)CS(=O)(=O)NC(=O)C)C	PC-id_72589675	577.695	RFFNYPOIDABCBS-UHFFFAOYSA-M	00000010100000000001000010000000000000000000000000000000	25-01-162617
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccc(OC)cc1)c1ccccc1)C(=O)OCC	PC-id_17047129	577.718	SDPKCKJGMSYZQJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162618
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccc(OCC)cc1)c1ccccc1)C(=O)OC	PC-id_17047264	577.718	XZKYPBMKNKAMAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162619
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1c(OC)cccc1)c1ccccc1)C(=O)OCC	PC-id_17047744	577.718	XBWFZBHHPZGPBF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162620
O=C([C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)OCc1ccccc1	SCHEMBL19537123	577.737	NYJCNTGWLOSCOU-DEOSSOPVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162621
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)N[C@@H](c1ccccc1)COC(=O)c1ccccc1	SCHEMBL19537484	577.737	RAMBXKCAZVPKLM-XMMPIXPASA-N	00001010100000110001000010000000000000000000000000000000	25-01-162622
C[SiH2]OC(C(c1ccc(cc1)COC(=O)N1CCN(CC1)CC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(C)C)O[SiH2]C	SCHEMBL14562867	577.777	CFXMAPYMMCJBGK-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162623
C[C@H]1[C@H](C(c2c1c(nn2CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1ncc(nc1Cl)SC)C(F)F)(F)F)C	SCHEMBL20079154,PC-id_134443955	577.973	UZILOWUWWURPQQ-RWSFTLGLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162624
Clc1c(cc(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1)C(F)(F)F	PC-id_5278864	577.983	DWZIQZUVAFNULX-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162625
Clc1c(cc(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1)C(F)(F)F	PC-id_78381712	577.983	DWZIQZUVAFNULX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162626
c1(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-5532491590,PC-id_4079809,EMOLS-id_11051778	578.103	SXSVXPVAFFJYAN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162627
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)COc2ccc(cc2)Cl)C)sc2c1CCC2	PC-id_97991749,CoCoCo_2662168	578.103	SXSVXPVAFFJYAN-CQSZACIVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162628
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)COc2ccc(cc2)Cl)C)sc2c1CCC2	PC-id_97991750,CoCoCo_2662167	578.103	SXSVXPVAFFJYAN-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162629
CC1(CCN(CC1)CC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_149263462	578.211	XPRMQRXFYWGGTF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-162630
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(nnc4Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_69073967,SCHEMBL4512400	578.446	PPZYWGMIDAVEJF-NQCNTLBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162631
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(nnc4Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_69073963,SCHEMBL4512395	578.446	PPZYWGMIDAVEJF-GOTSBHOMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162632
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4Cc4ccccc4)CC3)C(=O)O)cc2)ccc(Cl)c1	PC-id_11505172	578.446	DQDXMOCQMJJCSH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162633
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_77598853	578.446	PPZYWGMIDAVEJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162634
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)CCC	MCULE-2154679708	578.459	BCLNEUGMHMWRHU-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-162635
CN1CCN(CC1)c1ccc(cc1)C(=O)[As]c1nn(c2c1CN(C2)C(=O)C(c1ccccc1)OC)C(=O)O	PC-id_87673505	578.471	DUWPCXIDZYFVDF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162636
n12nc(nc1sc(=Cc1ccc(c3cccc(Br)c3)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-3995270404	578.477	JQTHOIWJKQKREO-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162637
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)Br)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-4279623315	578.477	DEPHSNDHEAYVSX-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162638
CCOC(=O)n1nc2c(c1NC(=O)C([Si](C)(C)C)(C)C)CN(C2(C)C)C(=O)Nc1c(C)cccc1Br	PC-id_140882924	578.574	ARFIHMAHOVLDFJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162639
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OCc1ccccc1)C	PC-id_138705361,SCHEMBL21081523	578.582	ZCZNJYJUWVYVGV-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162640
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OCc1ccccc1)C	SCHEMBL21081548,PC-id_138705386	578.582	ZCZNJYJUWVYVGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162641
[O-][N+](=O)c1cn2c(n1)OC(C2)COc1ccc(cc1)N1CCC(CC1)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F	PC-id_141261273	578.582	FVLRLBCMFSGWEA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162642
C1(=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=NOC(C(=O)O)(C)C)/c1nc(sn1)N)C[n+]1ccc2n1CCN2)C(=O)O	CHEMBL1187497	578.601	YYQBJKKFQZUSPR-QDECCPLTSA-O	00001010100011000001001010000000000000000000000000000000	25-01-162643
S1C2N(C(=O)C2NC(=O)C(=NOC(C)(C)C(=O)O)c2nc(sn2)N)C(=C(C1)C[n+]1n2CCNc2cc1)C(=O)O	PC-id_72744472	578.601	YYQBJKKFQZUSPR-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-162644
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC(C)(C)C(=O)O)c2nc(sn2)N)C(=C(C1)C[n+]1n2CCNc2cc1)C(=O)O	PC-id_15077655	578.601	YYQBJKKFQZUSPR-SJKOYZFVSA-O	00001010100011000001001010000000000000000000000000000000	25-01-162645
S(=O)(=O)(O)c1cc(CCC(c2nc3n(N=C(C(C)(C)C)C3=NNc3n(c(c(n3)C#N)C#N)CC(=O)O)n2)C)ccc1	PC-id_20594692	578.603	OGGITJHDPFRYJC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162646
n12nc(nc1sc(=Cc1ccc(c3ccc(cc3)S(=O)(=O)N)o1)c2=O)C=Cc1ccc(c(OC)c1)OCCCC	MCULE-7942628630	578.659	JLHILFXMTLOLBH-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162647
Brc1nc(CCCCCCC(C(=O)N2Cc3n(nc(N)c3C2)COCC[Si](C)(C)C)(CC)C)ccc1	PC-id_58201347,SCHEMBL12747697	578.66	LFAGMRZSMDCBNX-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-162648
s1c2c(CCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1)C(=O)OCC	PC-id_24098967	578.681	GVSQIVRKGXOLQI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162649
CC1CCN=C(C=C(CN(CC1)C)C)Nc1cc(n[nH]c1=O)c1cc(c(cc1)F)NC(=O)c1cc2c(s1)CCC2O	PC-id_91222742	578.701	VATWGHIRMHQVAF-UHFFFAOYSA-N	00000010100000110111100010000000000000000000000000000000	25-01-162650
CCOC(=O)c1c(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)sc2c1CCC2	MCULE-5926689843,PC-id_4968690,CoCoCo_3371181,ZINC22_103007578,EMOLS-id_43858402	578.701	ACCCSKILKCYVGF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162651
s1c2CC(C(O)c2cc1C(=O)Nc1cc(C2NNC(=O)C(Nc3ncc(C4N(CCC4)C)cc3)C2)ccc1F)(C)C	PC-id_76817623	578.701	TUFZVBMSSQQSBI-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-162652
s1c2CC(C(O)c2cc1C(=O)Nc1cc(C2NNC(=O)C(Nc3ncc(C4(NCCC4)C)cc3)C2)ccc1F)(C)C	PC-id_77288670	578.701	FDJKKLHSBQBWKZ-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-162653
S(=O)(=O)(O)CCN1C(Oc2c1n(c(c2)C)C)C/C=C(/C=C
/SC(=S)N(C1=O)CS(=O)(=O)NC(=O)C)C	PC-id_59893232	578.702	RFFNYPOIDABCBS-WQCYXDSCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-162654
S(=O)(=O)(O)CCN1C(Oc2c1n(c(c2)C)C)CC=C(C=C1SC(=S)N(C1=O)CS(=O)(=O)NC(=O)C)C	PC-id_72589676	578.702	RFFNYPOIDABCBS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-162655
C=CC(=O)Nc1ccc(cc1)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17872120,PC-id_121438524	578.707	GOBCZGCAEUGNAT-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162656
N1(CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)OC)SC1=S	PC-id_73468662,MCULE-2356464282	578.725	JDZYCYOMQALQQQ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162657
s1c2c(CCC2)c(c1NC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884065	578.725	JDZYCYOMQALQQQ-HMAPJEAMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162658
CCOCCOCCc1cc2c(s1)C(=C)C(S2)C/C=C/c1c(C)sc2c1sc(c2)CCOCCOCC	SCHEMBL19143793	578.87	UASABROZMRLSKM-BQYQJAHWSA-N	00000010100000000000000110000000000000000000000000000000	25-01-162659
Clc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc(Cl)cc1Cl	PC-id_5278871	578.875	VMDZYQQEBNXSIT-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162660
Clc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc(Cl)cc1Cl	PC-id_78381719	578.875	VMDZYQQEBNXSIT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162661
Clc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc(Cl)c(Cl)c1	PC-id_5278872	578.875	CNTQNMPAJMPWCB-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162662
Clc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc(Cl)c(Cl)c1	PC-id_78381720	578.875	CNTQNMPAJMPWCB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162663
Clc1c(/C=C/CN2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)c(Cl)cc(Cl)c1	PC-id_5278873	578.875	IRNGKEBXLMNZRH-DXPVHIICSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162664
Clc1c(C=CCN2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)c(Cl)cc(Cl)c1	PC-id_78381721	578.875	IRNGKEBXLMNZRH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162665
C[C@@]1(Cn2cc(nc2O1)[N+](=O)[O-])[I-]Oc1ccc(cc1)c1noc(c1)COc1ccccc1F	PC-id_163942224	579.018	VTSFFQIQWUVHDH-JOCHJYFZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162666
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])[I-]OC3=CC=C(C=C3)N4C=C(N=N4)COC5=CC=C(C=C5)F	PC-id_148730394	579.029	JLDPOQVTVHCHKL-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162667
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408626090	579.085	LPXOLQRPGBXLKR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162668
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)N(c1ccccc1Cl)Cl)NC(=O)c1cc(c(cc1)F)[N+](=O)[O-]	PC-id_87319946,SCHEMBL1983907	579.365	YHXFYNBKRMOZFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162669
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(c(c1)[N+](=O)[O-])F)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	PC-id_67237094,SCHEMBL1983905	579.365	KRYINFFCSVTTEL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162670
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(nnc4Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)cnc1	SCHEMBL4511897,PC-id_69073760	579.434	YDEOZSFRPKJMLC-HMTLIYDFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162671
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(nnc4Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)cnc1	PC-id_11657123,SCHEMBL4511893	579.434	YDEOZSFRPKJMLC-VXKWHMMOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162672
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)cnc1	PC-id_11664245	579.434	YDEOZSFRPKJMLC-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162673
COC(C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O)c1ccccc1	SCHEMBL4455514	579.479	GTLCVNWXNFUWSX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162674
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O)c1ccccc1	SCHEMBL4455506	579.479	GTLCVNWXNFUWSX-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162675
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NCC1CCCO1	PC-id_24224107,MCULE-4689525599	579.483	HYJJBTPXRZHRBV-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-162676
COC(=O)c1c2CCOc2nn1CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_90167950	579.527	RZRRQDSYWMBGOP-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162677
COC(=O)c1n(CC(=O)N(c2ncccc2c2ccc(c(c2)C(=O)N)F)CCc2cc(F)cc(c2)F)nc2c1COC2	PC-id_71185137,SCHEMBL14484711	579.527	FQZQASRVXVJGMO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162678
COC(=O)c1n(CC(=O)NC(c2ncccc2c2ccc(c(c2)C(=O)N)F)Cc2cc(F)cc(c2)F)nc2c1COC2	SCHEMBL15708403,PC-id_78035763	579.527	OIPOLLRVSZDRGD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162679
COC(=O)c1n(CC(=O)NCC(c2ncccc2c2ccc(c(c2)C(=O)N)F)c2cc(F)cc(c2)F)nc2c1COC2	PC-id_71185139,SCHEMBL14484714	579.527	QDLJBJKYQKYATE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162680
COC(=O)c1n(CC(=O)N[C@H](c2ncccc2c2ccc(c(c2)C(=O)N)F)Cc2cc(F)cc(c2)F)nc2c1CCO2	SCHEMBL15730543	579.527	RZRRQDSYWMBGOP-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162681
COC(=O)c1n(CC(=O)N[C@H](c2ncccc2c2ccc(c(c2)C(=O)N)F)Cc2cc(F)cc(c2)F)nc2c1COC2	SCHEMBL14555572,PC-id_71204483	579.527	OIPOLLRVSZDRGD-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162682
COC(=O)c1nn(c2c1COC2)CC(=O)NC(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_71187103,SCHEMBL14487998	579.527	VEESUCQCLSUKQB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162683
COC(=O)c1nn(c2c1COC2)CC(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_71187104,SCHEMBL14488001	579.527	VEESUCQCLSUKQB-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162684
Brc1ccc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_19637955	579.53	DNJHJNSJWXHUMA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162685
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])OC)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372170,PC-id_67009373	579.53	PZUNELPXFMPNNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162686
FC(F)(F)c1ccc(c2ccc(CN3CCN(CC3)c3ccc(OCC4Oc5n(C4)cc(n5)[N+](=O)[O-])cc3)cc2)cc1	SCHEMBL1077715,PC-id_66898341	579.57	AVCPANUHCKQVCG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162687
FC(F)(F)c1ccc(c2ccc(CN3CCN(CC3)c3ccc(OC[C@H]4Oc5n(C4)cc(n5)[N+](=O)[O-])cc3)cc2)cc1	PC-id_66898339,SCHEMBL1077713	579.57	AVCPANUHCKQVCG-MHZLTWQESA-N	00000010100010110001100010000000000000000000000000000000	25-01-162688
FC(F)(F)c1ccc(c2ccc(CN3CCN(CC3)c3ccc(OC[C@@H]4Oc5n(C4)cc(n5)[N+](=O)[O-])cc3)cc2)cc1	SCHEMBL4444407,PC-id_69047140	579.57	AVCPANUHCKQVCG-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162689
OCC(c1ccc(cc1)C#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC1CCCCO1)C)(F)F	SCHEMBL18730066	579.613	SCXYTBMARBKRAF-ANWICMFUSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162690
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OCC	PC-id_19658741	579.621	IRADQINVGHUROT-WCMJOSRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162691
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OCC	PC-id_73633242	579.621	IRADQINVGHUROT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162692
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C)C(=O)OCC	PC-id_19658927	579.621	PGNVVCWPKXAXAF-WCMJOSRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162693
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C)C(=O)OCC	PC-id_73633424	579.621	PGNVVCWPKXAXAF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162694
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2c(OC)cccc2)cc1)C)C(=O)OCC	PC-id_5085965	579.621	WAEQSPABYXHVAG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162695
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2c(OC)cccc2)cc1)C)C(=O)OCC	PC-id_9607071	579.621	WAEQSPABYXHVAG-WCMJOSRZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162696
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(=O)C(F)(F)F)Cc3s2)cc1	BindingDB-id_722735,BindingDB_PC-id_145713309,PC-id_145713309	579.654	PWTLLEXIFJMVIG-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162697
O=C(c1sc2c(c1)C(C(C2)(C)C)F)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	SCHEMBL2489760,PC-id_58540336	579.664	QKVNVCFFIHTUDQ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162698
O=C(c1sc2c(c1)[C@@H](C(C2)(C)C)F)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	SCHEMBL9984473,PC-id_46223256	579.664	QKVNVCFFIHTUDQ-SANMLTNESA-N	00001010100000110001100010000000000000000000000000000000	25-01-162699
O=C(c1sc2c(c1)[C@H](C(C2)(C)C)F)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	SCHEMBL9985937,PC-id_46223255	579.664	QKVNVCFFIHTUDQ-AREMUKBSSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162700
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-8321446025,PC-id_5146459,EMOLS-id_11051506,CoCoCo_2661808	579.69	YICNHQDERSPWPY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-162701
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1cccc(C)c1	PC-id_4455469,MCULE-7700929998,EMOLS-id_22701308	579.69	ZLQADEAUOFCFDF-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162702
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1c1cccc(C)c1C	EMOLS-id_11051606,MCULE-9594518710,CoCoCo_2661533,PC-id_5064290	579.69	KILUUJDEGMXYSA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162703
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1c1cc(C)ccc1C	EMOLS-id_11051664,PC-id_5064293,MCULE-3368724907,CoCoCo_2661537	579.69	UMXYAANQUGYFFO-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162704
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2Cc2ccccc2)sc2CCCc12	PC-id_5110761,EMOLS-id_11051516,MCULE-5943363484	579.69	LWIQZYOKKYDNLO-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-162705
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662344,PC-id_98229471	579.69	ZLQADEAUOFCFDF-KRWDZBQOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162706
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_98229470,CoCoCo_2662343	579.69	ZLQADEAUOFCFDF-QGZVFWFLSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162707
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662313,PC-id_97991682	579.69	LWIQZYOKKYDNLO-KRWDZBQOSA-N	00000010101000110001000010000000000000000000000000000000	25-01-162708
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_97991681,CoCoCo_2662314	579.69	LWIQZYOKKYDNLO-QGZVFWFLSA-N	00000010101000110001000010000000000000000000000000000000	25-01-162709
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@H](Cc1ccccc1C(F)(F)F)C	SCHEMBL19772127,PC-id_134170954	579.697	XTESBGNKYUULCZ-MDYZWHIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162710
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)[C@@H](Cc1ccccc1C(F)(F)F)C	SCHEMBL19772233,PC-id_134171053	579.697	XTESBGNKYUULCZ-QOBPCVTDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162711
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)[C@@H](Cc1ccccc1C(F)(F)F)C	SCHEMBL18368073	579.697	XTESBGNKYUULCZ-WXTAPIANSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162712
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)[C@H](Cc1ccccc1C(F)(F)F)C	SCHEMBL18368081	579.697	XTESBGNKYUULCZ-HFJWLAOPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162713
c1(NC(=O)COc2c(Cl)c(Cl)c(c(Cl)c2Cl)Cl)sc2c(CCC2)c1C(=O)NCc1cccnc1	MCULE-4890067746,PC-id_18884032	579.711	HGLZLWMOSRVEET-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-162714
Ic1sc(I)c2c1[C@@H](NC(=O)C(F)(F)F)[C@H](Br)C2=O	PC-id_11757940	579.899	DPKNMANJYSSKRT-IUYQGCFVSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162715
Ic1sc(I)c2c1C(NC(=O)C(F)(F)F)C(Br)C2=O	PC-id_73088087	579.899	DPKNMANJYSSKRT-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162716
CC(=O)OC(C1[C@@H]2N(C1=O)C(=C(S2)Br)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN5CCSC5=N4	PC-id_153824700	579.972	ULFFHNKBXPOWOI-GSQSYGFSSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162717
CC[C@@H]1c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1cc(c(cc1)S(=O)(=O)CC)c1ccccc1	SCHEMBL19772112,PC-id_134170939	580.16	ORPHRODHAHXADA-RUZDIDTESA-N	00000010100000110001100010000000000000000000000000000000	25-01-162718
CCc1c(ccc(c1CC)P(=O)(O)O)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	SCHEMBL1985121,PC-id_67237476	580.4	CEXRBDVGGRSBNA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162719
CCOP(=O)(c1ccc(cc1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl)OCC	PC-id_24945901,SCHEMBL1985518	580.4	UTTIIDQWQVLFPZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162720
CCOC(=O)C(c1cccc(c1)CN1CCn2c1c(c(n2)C(F)(F)F)C(=O)NC(C)c1ccc(cc1)C(=O)O)(F)F	PC-id_135361115,SCHEMBL20539570	580.503	JYXNDSMKPYJICA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162721
CCOC(=O)C(c1cccc(c1)CN1CCn2c1c(c(n2)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(cc1)C(=O)O)(F)F	PC-id_135361114,SCHEMBL20539569	580.503	JYXNDSMKPYJICA-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162722
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)OCC	PC-id_19661281	580.566	PBQZQUNIPOXODB-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162723
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)OCC	PC-id_73635719	580.566	PBQZQUNIPOXODB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162724
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2c([N+](=O)[O-])cccc2)cc1)C(=O)OCC	PC-id_3261717	580.566	MBMDLAIVUYKTDF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162725
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2c([N+](=O)[O-])cccc2)cc1)C(=O)OCC	PC-id_9661813	580.566	MBMDLAIVUYKTDF-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162726
COC(=O)C1=CCC(C=C1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)OCc1ccccc1)C	SCHEMBL18758643	580.597	DYCARJZEURVIBL-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-162727
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)N1CCN(CC1)C)CN(C2(C)C)C(=O)Cc1c(F)cccc1F	PC-id_67237062,SCHEMBL1983796	580.626	VOUNDWZSSXKBPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162728
CN1CCNC(C1)CCOc1ccc(cc1)CC(=O)N1Cc2c(C1)c([nH]n2)NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_10303679,SCHEMBL2923791	580.677	SCJSGCDROPRJKW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162729
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC(=O)c1cc(ccc1)NC(=O)c1ccc(cc1)N)C	PC-id_137509792,SCHEMBL20754640	580.68	HIYVWKQJYBYTSU-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162730
N1(CCCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)F)SC1=S	PC-id_73468660,MCULE-4002627939	580.717	FAXMBXQCFCTZCZ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162731
s1c2c(CCC2)c(c1NC(=O)CCCN1C(=O)/C(=C/c2ccc(F)cc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884063	580.717	FAXMBXQCFCTZCZ-HMAPJEAMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162732
CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)C1CCCCC1)C	PC-id_68265208,SCHEMBL12442174	580.737	HRRMNJYUQHDBNU-ONALNCHISA-N	00000010100010110001000010000000000000000000000000000000	25-01-162733
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(NC)C)C2CCCCC2)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_77445108	580.737	HRRMNJYUQHDBNU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162734
C1C/C(=C(CNC(=O)CS(=O)(=O)C2=CC(=C(S2)Cl)Cl)/F)/C3=C1C=NN3CC4=C(C=C(C=C4)Cl)Cl	PC-id_161349521	580.937	VNTFCDQZHDTPQX-VKAVYKQESA-N	00000010100100110001000010000000000000000000000000000000	25-01-162735
ClCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030496,SCHEMBL1433439	581.063	UUVDFYKTGNYHSZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162736
ClCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433436,PC-id_67030493	581.063	UUVDFYKTGNYHSZ-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-162737
C[C@@H](COC)N(C1=C(C=CC(=C1)N2CCN(CC2)C)C(=O)NC3=NN(C4=C3CNC4(C)C)C(=O)O)C(=O)C(F)(F)F	PC-id_162244709	581.257	ZXEGWEACIYPASD-HNNXBMFYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162738
CC1(c2c(CN1C(=O)Cc1c[nH]nc1)c(n[nH]2)Nc1cc(ccc1)NC(=O)c1ccc(cc1)NC(=O)/C=C/CN(C)C)C	PC-id_163647299	581.286	IJIJHQCUQFGKBX-RMKNXTFCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162739
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1nc2SCCn2c1	PC-id_72749409	581.416	KZBGJLWVVVEQJT-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162740
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1nn2c(c1)CSC2	PC-id_77501164	581.416	GZHNHTROMFQDSA-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162741
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1nn2c(SCC2)c1	PC-id_77539413	581.416	PSIXOASXDGVLRN-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162742
Br[C@@]1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@H](OC(=O)C)c1nc2SCCn2c1	PC-id_11204017	581.416	KZBGJLWVVVEQJT-BSIFCXSSSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162743
Br[C@@]1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(=O)C)c1nc2SCCn2c1	PC-id_11296171	581.416	KZBGJLWVVVEQJT-SCWSEQNSSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162744
BrC1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1nn2c(c1)CSC2	SCHEMBL2928562,PC-id_68444391	581.416	GZHNHTROMFQDSA-TWMPVWRBSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162745
BrC1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1nn2c(SCC2)c1	PC-id_68688939,SCHEMBL3555646	581.416	PSIXOASXDGVLRN-TWMPVWRBSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162746
CC(=O)Oc1c2CSCn2nc1CC1(C2N(C1=O)C(=CS2)C(=O)OCc1ccc(cc1)[N+](=O)[O-])Br	PC-id_91067403	581.416	IEQHPSQYOHBHJF-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162747
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NCCCOCC	MCULE-1314799841,PC-id_24224120	581.499	XCAUPHFYXJZVQY-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-162748
c1(sc2c(CCC2)c1C(=O)Nc1ccccc1)N(Cc1cc(OC)ccc1OC)C(=O)c1ccc(cc1Cl)Cl	EMOLS-id_6794392,TIMTEC216841,ZINC22_98005230,PC-id_4202499,MCULE-7804431725	581.509	IJUMSZHGVWJNCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162749
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)ccc(Cl)c1	PC-id_19639974	581.534	XSAKLDHGUBYAEY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162750
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)cc(Cl)cc1	PC-id_19638416	581.534	GUQRPWFATALSCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162751
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_20123106	581.534	KIPWACGICNYLQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162752
COC(=O)c1nn(c2c1COC2)CC(=O)N[C@H](c1ncccc1C1=CC(C(C=C1)F)C(=O)N)Cc1cc(F)cc(c1)F	SCHEMBL17067118,PC-id_118357867	581.542	QFZWBVASBCSEMS-SDVLMSEASA-N	00000010100011111001100010000000000000000000000000000000	25-01-162753
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OCC	PC-id_4125668	581.554	KLHLMGIEQORKQC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162754
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OCC	PC-id_9648392	581.554	KLHLMGIEQORKQC-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162755
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-9099544035,PC-id_4161298,EMOLS-id_11051994	581.63	CGEOIVIQGMNODX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162756
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccccc2C(F)(F)F)C)sc2c1CCC2	PC-id_97991769,CoCoCo_2662596	581.63	CGEOIVIQGMNODX-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162757
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccccc2C(F)(F)F)C)sc2c1CCC2	PC-id_97991770,CoCoCo_2662595	581.63	CGEOIVIQGMNODX-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162758
c1(NC(=O)c2ccco2)n(c2ccccc2)ncc1C(=O)Nc1sc2c(CCC2)c1C(=O)Nc1ccccc1OCC	EMOLS-id_28296526,PC-id_23741331,ZINC22_102389159,MCULE-3438393912,CoCoCo_6867365	581.642	LRJCJPMVMDDARP-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162759
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1OC(F)F	PC-id_140882913	581.659	XSISUFYIBULZOW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162760
Ic1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740004	584.33	ZQUOPMFZELALTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162858
c1(c2CCCc2[nH]n1)C(=O)N1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)C1	EMOLS-id_290009177,MCULE-6275406637	581.663	ZWMRQZMOYCBAFV-VWZVQSRXSA-N	00000010100000110101000010000000000000000000000000000000	25-01-162761
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1c1ccccc1OC	CoCoCo_2661509,PC-id_4199693,EMOLS-id_11051766,MCULE-3145906504	581.663	DRPNXYRUJXMTBK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162762
CC1(Cc2c(C1F)cc(s2)C(=O)Nc1c(ccc(c1)C(=CC(=Nc1nn(c(c1)CN1CCC1)C)C(=O)NC)N)F)C	PC-id_89070445	581.68	GZIRMUSIFBTVHK-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162763
CNC(=O)/C(=CC(=N)c1ccc(c(c1)NC(=O)c1cc2c(s1)CC([C@@H]2F)(C)C)F)/Nc1nn(c(c1)CN1CCC1)C	SCHEMBL13363449	581.68	YJIKOTUBGFELFC-UHBHZQODSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162764
OCCN(c1ccc(c(c1)C)/N=C/1c2nnc(n2N=C1C(C)(C)C)C(NC(=O)c1cccc(c1)S(=O)(=O)O)C)CC	PC-id_58776930,SCHEMBL14271646	581.686	PFCXJNCTPXYTGA-WMMMYUQOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162765
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_11051452,PC-id_4107126,CoCoCo_2661468,MCULE-9797215169	581.729	WBDLDYYRZZQBTD-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-162766
CCN(c1ccc(c(c1)C)N=C1n2c(C)nnc2C(=C1C(=O)OC1C(C)CC(CC1C)C)C#N)CCNS(=O)(=O)C	SCHEMBL14597572	581.729	VXNGYYNSMHPFGD-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-162767
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1	PC-id_5121731,CoCoCo_2661452,MCULE-2333683170,EMOLS-id_11051686	581.729	ITFGSMXVMYTNKW-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-162768
S(=O)(=O)(NCCN(c1cc(c(/N=C/2\n3c(nnc3C)C(=C2C(=O)OC2C(CC(CC2C)C)C)C#N)cc1)C)CC)C	PC-id_21351142	581.729	VXNGYYNSMHPFGD-BLCKFSMSSA-N	00000011100010110001000010000000000000000000000000000000	25-01-162769
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	PC-id_4158163,CoCoCo_2661302,ZINC22_97963281,EMOLS-id_5433825,MCULE-9125276753	581.749	DUXHMIMIZFWWGT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162770
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	MCULE-4087622839,PC-id_5237314,CoCoCo_2661339,EMOLS-id_22700174	581.749	GSGLXMIKHRMWRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162771
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)CO)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	PC-id_134171000,SCHEMBL19772180	581.789	YNQULBUBHMYYMS-PMERELPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162772
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)Cl)c2=O)Cc1ccccc1	MCULE-2572614501	581.868	UTXXRIROLNBTDZ-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-162773
C=C/C=C(C=C(/Cn1nc(c2c1C(CC2)Cc1cccc(c1)Cl)/C=C/S(=O)(=O)NN1CCCCC1)Cl)/Cl	PC-id_143429599	581.985	OSRFXBKAYRAHQO-IDYHRSRZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162774
n12nc(nc1sc(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)Cc1ccccc1	MCULE-5377475059	582.05	NRBSMUDNPZBAOB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-162775
Clc1ccc(NCc2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)c2ccccc2)cc1	PC-id_17047804	582.137	ISLLQYNGLVRXSD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162776
CCCCCCCCCCOC(=O)CCC(=O)NCCC(=O)OCC(C1N=Nc2n1nc(c2Cl)C(C)(C)C)(C)C	PC-id_101197540	582.175	VUAXNYLSFCTJEX-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-162777
Cc1c(n2CCCc2c1CC(=O)NC1(CC(C1)(C)F)CNC1(CS(=O)(=O)C1)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_164040967	582.188	VQDSDYGJNQITRG-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-162778
CC(C)(C)OC(=O)CCCCC(C)(C)CC(=O)C(=O)C1=C(C(=C2N1CCC2)C(=O)NC3=CC(=C(C(=C3)F)F)F)Cl	PC-id_165025694	582.211	MCDRKKXUDUBUKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162779
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc(OC)cc1)C(OC(=O)C)c1nc2S(=O)CCn2c1	PC-id_76097409	582.444	MDHRCCVGSCUMTF-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162780
BrC1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc(OC)cc1)C(OC(=O)C)c1nc2S(=O)CCn2c1	SCHEMBL7186277,PC-id_54066413	582.444	MDHRCCVGSCUMTF-IPWYYUGCSA-N	00001011100000110001001010000000000000000000000000000000	25-01-162781
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(c(cc1)CCC=O)C(F)(F)F	PC-id_135360756,SCHEMBL20539152	582.494	QVQKWAHHFGHSCC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162782
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)CCC=O)C(F)(F)F	PC-id_135361216,SCHEMBL20539682	582.494	RGHVTZAXIXICFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162783
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)CCC=O)C(F)(F)F	PC-id_135361214,SCHEMBL20539680	582.494	RGHVTZAXIXICFW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162784
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(c(cc1)CCC=O)C(F)(F)F	SCHEMBL20539151,PC-id_135360755	582.494	QVQKWAHHFGHSCC-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162785
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3Cl)Cl)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-2424129192,PC-id_4610650,EMOLS-id_22701016	582.522	GIWVVWRUOIRERE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162786
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2Cl)Cl)C)sc2c1CCC2	CoCoCo_2661921,PC-id_98359557	582.522	GIWVVWRUOIRERE-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162787
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2Cl)Cl)C)sc2c1CCC2	PC-id_98359556,CoCoCo_2661922	582.522	GIWVVWRUOIRERE-GFCCVEGCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162788
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2c[nH]cc2)cc(N(C)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524080	582.622	MQMYUNBEBVKPAW-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162789
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]ccc2)cc(N(C)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524118	582.622	CERRDXLCZJDXNQ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162790
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_140963666	582.653	IELHUKBBZBOEJI-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162791
CCC/C=C(/C1(CC(C1)(F)F)N(CC(=O)C(=O)c1c(C)c(c2n1CCC2)C(=O)Nc1ccc(c(c1)C#N)F)C)C(C)C	PC-id_139444960,SCHEMBL21307780	582.656	JBSZSPNMJXYDOH-NUGSKGIGSA-N	00001010100000110000000010000000000000000000000000000000	25-01-162792
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(=O)n(cc1)CC(F)(F)F	PC-id_134170705,SCHEMBL19771872	582.658	WORCVVMYFHTDIU-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162793
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc2c(n1)[C@@H](N(C2)Cc1ccn(c(=O)c1)CC(F)(F)F)C(C)C	SCHEMBL18367909	582.658	WORCVVMYFHTDIU-DEOSSOPVSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162794
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(nc4OC)C(F)(F)F)Cc3s2)cc1	BindingDB-id_722750,PC-id_145713320,BindingDB_PC-id_145713320	582.658	HFOWBQDTLOGGBN-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162795
s1c2CCC(C(=O)N3CCN(CC3)C(c3ccccc3)c3ccccc3)c2nc1NC(=O)c1cc(OC)cc(OC)c1	PC-id_44041381	582.712	FXYKWBLGXOLMQO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162796
CN1CCN([C@@H](C1=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1sc2c(c1)CCC2)C	SCHEMBL17058616,PC-id_118351219	582.716	QCZOQFOJZZQNGF-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162797
CCOC(=O)c1c(sc2c1CCC2)NC(=O)CSc1nnc(n1c1ccccc1)CSc1nc(cc(=O)[nH]1)C	PC-id_136077229	582.717	YMBPPTBRRNJIRC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162798
S(=O)(=O)(NCCN(c1cc(c(/N=C/2\n3[n+](cnc3C(=C2C(=O)OC2C(CC(CC2C)C)C)C#N)C)cc1)C)CC)C	PC-id_59107231	582.737	UGDQQMHDJIZQSW-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-162799
CC(C)[C@H]1c2c(CN1Cc1cn(c(=O)cc1)C)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	SCHEMBL19772193,PC-id_134171013	582.777	KQVMYVLTVRWBGI-LJAQVGFWSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162800
CCCCOc1c(C=C2SC3=C(S2)SC(S3)[P+](OCC)(OCC)[O-])sc(c1OCCCC)C=O	PC-id_102487304	582.777	HANUMMXSNHRYFY-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-162801
n12nc(nc1sc(=Cc1ccc(c3c(Cl)ccc(c3)C(F)(F)F)o1)c2=O)COc1ccc(cc1)Br	MCULE-1328228290	582.777	GKWPTOHQSRRSOJ-UHFFFAOYSA-N	00000000101000110001100010000000000000000000000000000000	25-01-162802
CCC/C(=C(/C(=C)/C=C/1NC(=O)C(=C1C)C=C)C)/C(=C/1C(C)C(=O)c2c1[nH]c(c2C)CC(/C(=C(C(=O)C)/C)/CCC)C)/C	PC-id_138969986	582.815	DGOYZBZFJAMBAP-HWLLKJMMSA-N	00000011100000000000000010000000000000000000000000000000	25-01-162803
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC1(CSC1)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19920818,PC-id_134303092	583.022	XREDLCXVMNQLIV-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-162804
CC(C1=CC=C(C=C1)C(=O)[O-])NC(=O)C2=C3N(CCN3N=C2C(F)(F)F)CC4=CC(=CC=C4)I	PC-id_153680943	583.046	ZQUOPMFZELALTK-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-162805
Clc1ccc(OCc2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)c2ccccc2)cc1	PC-id_17047844	583.121	KRMLQTYPLGSMJA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162806
Clc1ccc(/C=C/2SC(=S)N(CCC(=O)Nc3sc4c(CCC4)c3C(=O)NCc3cccnc3)C2=O)cc1	PC-id_18884068	583.145	NYKYOBKCNZSZMH-BKUYFWCQSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162807
N1(CCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)Cl)SC1=S	PC-id_73468665,MCULE-8076039074	583.145	NYKYOBKCNZSZMH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162808
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1cc(OC)c(OC)cc1)CC2=O	PC-id_11570880	587.325	PXOLTBZIWKVPKB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162992
CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CCC5O)C(=N4)C(F)F)F	PC-id_161790029	583.189	SBIGYVMTLBEMOM-FOEZPWHWSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162809
C[C@@H]1CCC2=C1C(=NN2CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N)C(F)F	PC-id_153670253	583.201	VXDUROHKLZOGLF-CMJOXMDJSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162810
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=NN2)NC(=O)C4=CC(=C(C=C4)NC(=O)C=C)C(F)(F)F)C	PC-id_164941717	583.252	QZUJWKXSZMWFFB-JOCHJYFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162811
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)(CCC(C(=C)C)(F)F)O)C	PC-id_153600173	583.333	UKNNTQMYDFZDOT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162812
FC(F)c1nn(c2c1CCC2=O)CC(=O)NC(Cc1cc(F)cc(F)c1)c1ncccc1c1cc(c(F)cc1)C(=O)N	PC-id_78035842	583.509	VWOCLYFSEBKPRX-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162813
FC(F)c1nn(c2c1CCC2=O)CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1c1cc(c(F)cc1)C(=O)N	SCHEMBL14555817,PC-id_71204611	583.509	VWOCLYFSEBKPRX-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162814
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)C(F)(F)F)N(C)C)C	SCHEMBL18758493	583.525	UFDUUKONMTVIFG-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162815
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)C(F)(F)F)N(C)C)C	SCHEMBL18758491	583.525	UFDUUKONMTVIFG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162816
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C(=O)OC	PC-id_4289241	583.527	CBTLWBYXXKTCOH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162817
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C(=O)OC	PC-id_9656281	583.527	CBTLWBYXXKTCOH-RPPGKUMJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162818
FC(Oc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F	PC-id_117999652,SCHEMBL16624973	583.537	DBOSITHKNFDTEC-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162819
Clc1c(OCCCc2n(CC)c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)ccc(Cl)c1	PC-id_17269063	583.55	VGMQERMSDAWFHB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162820
CC1Cc2c(C1)n(nc2C(F)F)CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_135215941	583.552	RABOKOTYKBTPLE-YKHFMZSMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162821
C[C@H]1Cc2c(C1)n(nc2C(F)F)CC(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL20371713	583.552	RABOKOTYKBTPLE-OWJWWREXSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162822
O=C(Cn1nc(c2c1CCC2C)C(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_118357917,SCHEMBL17067170	583.552	VXDUROHKLZOGLF-GMTBNIFVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162823
COC(=O)c1n(CC(=O)N[C@H](c2ncccc2C2=CC(C(C=C2)F)C(=O)N)CC2=CC(=CC(C2)F)F)nc2c1COC2	PC-id_118357866,SCHEMBL17067117	583.558	LANKWJWNLHUDDP-NRUDEOEASA-N	00000010100011101001100010000000000000000000000000000000	25-01-162824
c1(NC(=O)CCCS(=O)(=O)c2nc(cc(c3ccccc3OC)n2)C(F)(F)F)sc2c(CCC2)c1C(=O)OC	CoCoCo_2005066,PC-id_3442519,MCULE-5175206093,EMOLS-id_24343898,GD-id_ZINC03655067	583.6	BDDLPCAEMPMDRE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162825
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CN1CCN(C1=C)N)C	SCHEMBL18758554	583.605	GSQQPNXIESLLGF-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162826
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1ccc[nH]1)N(C)C	SCHEMBL1373122,PC-id_16665443	583.61	XRVKZBWBSXUCNL-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162827
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1c[nH]cc1)N(C)C	SCHEMBL1372002,PC-id_16665447	583.61	FBTDHUDATCUGNY-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162828
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1ccc(cc1)F	PC-id_5046721,EMOLS-id_11051782,MCULE-1048548406	583.654	ISLUQQXHSZYHRW-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162829
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662299,PC-id_97991753	583.654	ISLUQQXHSZYHRW-OAHLLOKOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162830
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_97991754,CoCoCo_2662300	583.654	ISLUQQXHSZYHRW-HNNXBMFYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162831
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(cc2F)C(F)(F)F)cc1	BindingDB-id_722756,PC-id_145713325,BindingDB_PC-id_145713325	583.661	ODQVIEAGYODPDQ-LMKMVOKYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162832
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(cc2F)C(F)(F)F)cc1	PC-id_145713324,BindingDB_PC-id_145713324,BindingDB-id_722755	583.661	ODQVIEAGYODPDQ-CPJLOUKISA-N	00000010100000110001000010000000000000000000000000000000	25-01-162833
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)CCC(C)(C)C)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)[N+](=O)[O-]	SCHEMBL15338601,PC-id_89864892	583.679	PDNVBYYYCSTKRB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162834
CCc1ccccc1N(CC)C(=O)C1c2c(CN1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC#C	PC-id_87243152,SCHEMBL1434634	583.681	RMXWJQWBUXTGDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162835
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC#C	PC-id_87243069,SCHEMBL1434024	583.681	NVVXNKCEHDGHFU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162836
C#CCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_44518957,SCHEMBL1434023	583.681	VMWGREOEAPKJCV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162837
CCOC(=O)c1c(sc2c1CCC2)NC(=O)CSc1nnc(n1c1ccccc1)CSc1nc(cc(=O)[nH]1)N	PC-id_136077355	583.706	CLMNUGXFGCCKMO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162838
COCCCOc1cc(ccc1OC)C(=O)N(C(C)C)C[C@@H]1CNC[C@H]1CN(C(=O)Oc1n[nH]c2c1CCC2)C1CC1	SCHEMBL3373788,PC-id_68617692	583.719	MOXFEJVOSWYHSN-GOTSBHOMSA-N	00100010100000110001000010000000000000000000000000000000	25-01-162839
O(C(=O)N(C1CC1)CC1C(CNC1)CN(C(C)C)C(=O)c1cc(OCCCOC)c(OC)cc1)c1n[nH]c2c1CCC2	PC-id_77523406	583.719	MOXFEJVOSWYHSN-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-162840
S(=O)(=O)(NCCN(c1cc(c(/N=C/C(=C(n3c2nnc3C)[N+]#[C-])OCOC2C(CC(CC2C)C)C)cc1)C)CC)C	PC-id_59091099	583.745	OHPXFPPBGVUNHW-MKCFTUBBSA-N	00000011100010110001000010000000000000000000000000000000	25-01-162841
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2CCCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22701390,MCULE-7386156923,PC-id_4985730	583.765	JSAJCURFPBBKSU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162842
CCCCn1c(nnc1CNC(=O)c1ccc(c(c1)C)C)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662462,PC-id_98229491	583.765	JSAJCURFPBBKSU-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-162843
CCCCn1c(nnc1CNC(=O)c1ccc(c(c1)C)C)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229492,CoCoCo_2662461	583.765	JSAJCURFPBBKSU-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162844
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C)N[C@@H](c1ccccc1)COCOC(=O)C(C)(C)C	PC-id_140817159	583.794	HHUMSFGBZPKJAC-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162845
Clc1ccc(C(=O)Oc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)cc1	PC-id_19658926	584.04	XMWKCKHXZFTUFL-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162846
Clc1ccc(C(=O)Oc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)cc1	PC-id_73633423	584.04	XMWKCKHXZFTUFL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162847
Clc1c(C(=O)Oc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)cccc1	PC-id_19659533	584.04	SNVRCJUMWZCAHQ-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162848
Clc1c(C(=O)Oc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)cccc1	PC-id_73634018	584.04	SNVRCJUMWZCAHQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162849
Clc1c(cc(OCc2cc(ccc2OC)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1C)C	PC-id_19660297	584.083	XHUCXHBTYHTUFM-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162850
Clc1c(cc(OCc2cc(ccc2OC)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)cc1C)C	PC-id_73634757	584.083	XHUCXHBTYHTUFM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162851
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=CC(=C(C=C4)C(F)(F)F)Cl	PC-id_148356042	584.118	LJLIZSFBXXGCRV-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162852
CCOC(=O)N1c2c(cc(s2)C(=O)NC(C)(C)c2ccccc2)C(N1Cl)NC(=O)c1ccc(cc1)CNC(C)C	SCHEMBL15153254,PC-id_89723838	584.129	DVPLLSIJWZCEPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162853
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)CC2=NC3=C(S2)CN([C@@H]3C(C)C)CC4=C(C=CC(=C4)OC(F)(F)F)F	PC-id_162111879	584.143	ZGGKASGFDSQLFY-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162854
ClC1c2n(N=C1C)c(nn2)C(C(NC(=O)C(Oc1ccc(cc1)Cc1ccc(Cc2ccccc2)cc1)C)(C)C)(C)C	PC-id_54156135	584.151	OLEIEPCRUATHKX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162855
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)I	SCHEMBL20539533,PC-id_135361084	584.33	DMJQIVSIZDRFAK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162856
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)I	SCHEMBL20539531,PC-id_135361082	584.33	DMJQIVSIZDRFAK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162857
Ic1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740135	584.33	ZQUOPMFZELALTK-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162859
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCN(CC3)C(=O)C4=NN(C5=C4CCC5)CCC6CCNCC6	PC-id_153565281	584.355	GNBDAHURNVZAPO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162860
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)N(c1ccccc1Cl)Cl)NC(=O)c1ccccc1C(F)(F)F	SCHEMBL1984122,PC-id_87319971	584.374	AYOJAHYTYKRSMC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162861
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	PC-id_67237161,SCHEMBL1984120	584.374	FMYZXMNAQNELDO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162862
Brc1c(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cccc1	PC-id_3380368	584.438	JVVGGFVDZBSEGN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162863
Brc1c(C(=O)Oc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)cccc1	PC-id_4547081	584.438	JVQWPGBZTCMZEJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162864
Brc1c(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)cc2)cccc1	PC-id_9666672	584.438	JVVGGFVDZBSEGN-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162865
Brc1c(C(=O)Oc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)cccc1	PC-id_9676269	584.438	JVQWPGBZTCMZEJ-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162866
Brc1c(C(=O)Oc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_4170127	584.438	IQAWVQYIKWDLDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162867
Brc1c(C(=O)Oc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_9650980	584.438	IQAWVQYIKWDLDO-CCVNUDIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162868
Brc1c(C(=O)Oc2c(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cccc2)cccc1	PC-id_4133982	584.438	IBLBNRGHAJXVQB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162869
Brc1c(C(=O)Oc2c(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cccc2)cccc1	PC-id_9648809	584.438	IBLBNRGHAJXVQB-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162870
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(nnc4Cc4ccsc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_69073186,SCHEMBL4510608	584.474	DJSFRMNGKMSDLI-BGERDNNASA-N	00000010100100110001000010000000000000000000000000000000	25-01-162871
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(nnc4Cc4ccsc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_69073183,SCHEMBL4510602	584.474	DJSFRMNGKMSDLI-SFTDATJTSA-N	00000010100100110001000010000000000000000000000000000000	25-01-162872
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4Cc4ccsc4)CC3)C(=O)O)cc2)ccc(Cl)c1	PC-id_11599580	584.474	NBKOVWPEZFXZHB-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-162873
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4Cc4ccsc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_77598740	584.474	DJSFRMNGKMSDLI-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-162874
CC1(c2c(CN1C(=O)N(c1ccccc1Cl)Cl)c(n[nH]2)NC(=O)c1ccc(cc1)C(=O)NC1CCN(CC1)C)C	PC-id_87319880,SCHEMBL1983454	584.497	MMZLIXCMZFLMOB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162875
c1(OCCCC(=O)Nc2sc3CCCc3c2C(=O)OCC)c(Br)cc(cc1Br)C(C)(C)C	MCULE-4497687583,EMOLS-id_327822061	587.364	JLVGAJABLIWRAB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162993
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(C(=O)NC5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1983452,PC-id_24948453	584.497	HPHLMQCIJVJKRR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162876
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(NC(=O)C5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1985029,PC-id_24948456	584.497	IBIRDGABFDSPIV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162877
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(C(=O)NC5CCN(CC5)C)ccc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL1985757,PC-id_24948640	584.497	RNWOHUHZZCQFSA-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162878
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc(NC(=O)C5CCN(CC5)C)ccc4)c3C2)(C)C)c(Cl)ccc1	PC-id_24948642,SCHEMBL1984764	584.497	UIPWOKNMOCCQSW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162879
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(c(cc1)CCCO)C(F)(F)F	PC-id_135360582,SCHEMBL20538937	584.51	JIYYDWJMVPIJCP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162880
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)CCCO)C(F)(F)F	PC-id_135360828,SCHEMBL20539245	584.51	DQWHUHUUBFESHH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162881
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(c(cc1)CCCO)C(F)(F)F	PC-id_135360581,SCHEMBL20538936	584.51	JIYYDWJMVPIJCP-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162882
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)CCCO)C(F)(F)F	PC-id_135360827,SCHEMBL20539244	584.51	DQWHUHUUBFESHH-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162883
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(Cl)cc(cc1Cl)F	PC-id_140883001	584.543	TVFJBXJSUHDSDN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-162884
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]cc2NC(=O)c1cc(ccc1C(=O)N)c1[nH]cc(n1)C(=O)O	PC-id_67252227,SCHEMBL2025377	584.551	ZCQLGFYHWWCFGB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162885
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(ccc1C(=O)N)n1ccc(c1)C(=O)O	PC-id_67008686,SCHEMBL1370350	584.551	NNQLNASRUWSOBP-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-162886
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(ccc1C(=O)N)n1cccc1C(=O)O	PC-id_67009108,SCHEMBL1371538	584.551	KFWHPOLQTHZMLH-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-162887
O=C(C(=O)c1n2CCCc2c(c1C)C(=O)Nc1ccc(c(c1)F)F)NC1(COC1)c1nnn(c1)COC(=O)C(C)(C)C	PC-id_139434867,SCHEMBL21296703	584.571	KLMBDJKTWVSIIZ-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162888
COc1ccc(c(c1)NC(=O)c1cccn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372698,PC-id_67009624	584.594	HMSXESKEHUEMER-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162889
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CC(F)(F)F)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315530,SCHEMBL20485023	584.608	MGLGJNYOENRMCC-NRWPOFLRSA-N	00001010100010000001000010000000000000000000000000000000	25-01-162890
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CC(F)(F)F)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_135315531,SCHEMBL20485024	584.608	MGLGJNYOENRMCC-UHFFFAOYSA-N	00001010100010000001000010000000000000000000000000000000	25-01-162891
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N1C[C@@H](C)N(C[C@@H]1C)CCC(F)(F)F)Nc1nc(CC)ncc1F	PC-id_59333937,SCHEMBL7013597	584.609	KWJUGMUFRPEWIA-CVEARBPZSA-N	00000010100010100001000010000000000000000000000000000000	25-01-162892
FC(F)(F)CCN1C(CN(C(C1)C)C(=O)N1C(c2n(nc(Nc3nc(ncc3F)CC)c2C1)C(=O)OCC)(C)C)C	PC-id_72257729	584.609	KWJUGMUFRPEWIA-UHFFFAOYSA-N	00000010100010100001000010000000000000000000000000000000	25-01-162893
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(cc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC=C	PC-id_89723843,SCHEMBL15153261	584.709	UJXUPRUVRDDDHX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162894
O=Cc1c(cncc1N(CCn1c(C=O)cc2c1CC(C2)(C)C)C)c1cn(C)c(=O)c(c1)N=C(/C=C/1NCCN(C1)C)N	SCHEMBL21017731,PC-id_138649391	584.712	ZFDOXBVGIPNPEW-FMCGGJTJSA-N	00000010100010101001100010000000000000000000000000000000	25-01-162895
C[C@@H]1[C@@H](CCCN1c1cnc(c(n1)Nc1ccc(cc1)C1(CC1)N(C)C)C(=O)N)NC(=O)c1cc2c(n1C)CC(C2)(C)C	PC-id_140930415	584.755	KKTGXSSOFCAKHE-HYBUGGRVSA-N	00100010100010110001100010000000000000000000000000000000	25-01-162896
S1CCn2c1nc(c2)CNc1cc(COCCOCCCCCCNC[C@H](O)c2cc(CCO)c(O)cc2)ccc1	PC-id_66845695	584.77	GKLYRGPDOFATHC-PMERELPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162897
S1CCn2c1nc(c2)CNc1cc(COCCOCCCCCCNC[C@H](O)c2cc(C(O)C)c(O)cc2)ccc1	PC-id_66845692	584.77	YZSJPNMPSCOKKS-POYPGSECSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162898
S1CCn2c1nc(c2)CNc1cc(COCCOCCCCCCNCC(O)c2cc(CCO)c(O)cc2)ccc1	PC-id_77195895	584.77	GKLYRGPDOFATHC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162899
S1CCn2c1nc(c2)CNc1cc(COCCOCCCCCCNCC(O)c2cc(C(O)C)c(O)cc2)ccc1	PC-id_77195892	584.77	YZSJPNMPSCOKKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162900
COC(=O)C(=O)C(c1c(n2c(n1)N=N/C/2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)C(c1ccccc1)c1ccccc1	PC-id_135441693	584.967	SBWBMQXEDLEVRX-PJJLUWSFSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162901
COC(=O)C(=O)C(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)C(c1ccccc1)c1ccccc1	PC-id_135510861	584.967	SBWBMQXEDLEVRX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162902
COC(=O)C(=O)[C@@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)C(c1ccccc1)c1ccccc1	PC-id_136904933	584.967	SBWBMQXEDLEVRX-NRFANRHFSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162903
COC(=O)C(=O)[C@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)C(c1ccccc1)c1ccccc1	PC-id_136904934	584.967	SBWBMQXEDLEVRX-OAQYLSRUSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162904
COC(=O)C(=O)[C@H](C(=O)C(c1ccccc1)c1ccccc1)C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O	NSC382895,CoCoCo_5636938,ZINC22_100721393	584.967	IJBOTVVSLGZYFW-NRFANRHFSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162905
COC(=O)C(=O)[C@@H](C(=O)C(c1ccccc1)c1ccccc1)C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O	ZINC22_100721395,LI_194280,CoCoCo_5636939	584.967	IJBOTVVSLGZYFW-OAQYLSRUSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162906
n1c2N=C(C(C(=O)C(c3ccccc3)c3ccccc3)C(=O)C(=O)OC)C(=O)n2c(NC(=O)Nc2ccc(Cl)cc2)n1	SPECS-id_AT-225/NB54700,PC-id_343442,MCULE-1316142957	584.967	IJBOTVVSLGZYFW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162907
O=S1CC(C1)(C)NCC1(NC(=O)C(=O)c2c3CCCn3c(c2C)C(=O)Nc2ccc(c(c2)Cl)F)CC(C1)(F)F	PC-id_142295102	585.038	UFONRELJGSQFBQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-162908
c1(C#N)c2CCCc2sc1N=Cc1cc(Br)cc(Br)c1OCc1ccc(cc1Cl)Cl	MCULE-1324558167,PC-id_1719780	585.138	DPVMCHMHUMOOCX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162909
Clc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2sc3CCCc3c2C#N)c(Cl)c1	PC-id_9591651,ZINC22_2054686,CoCoCo_6895136,EMOLS-id_45931172,SPECS-id_AG-690/09912023	585.138	DPVMCHMHUMOOCX-ORBVJSQLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162910
N#Cc1c(/N=Cc2cc(Br)cc(c2OCc2ccc(cc2Cl)Cl)Br)sc2c1CCC2	CoCoCo_6895137	585.138	DPVMCHMHUMOOCX-LGUSAWBASA-N	00000010100000110000000010000000000000000000000000000000	25-01-162911
ClC1c2[n+](N=C1C)c(n[nH]2)C(C(NC(=O)C(Oc1ccc(cc1)Cc1ccc(Cc2ccccc2)cc1)C)(C)C)(C)C	PC-id_59874166	585.159	OLEIEPCRUATHKX-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-162912
C1CCOC(C1)CCOC(C2=CC=CC=C2F)C(=O)N3CC4=CN(N=C4C3)S(=O)(=O)C5=NN(C=C5)CC(F)(F)F	PC-id_164931934	585.167	LSSVAFSQMBSPBZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162913
CCOC(=O)c1c(I)nn2c1N(Cc1cccc(c1)C(F)(F)F)C[C@H]2COCc1ccccc1	SCHEMBL18758638	585.357	XFSJUYAHTGXILP-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-162914
O=C(Cn1nc(c2c1C(O)CC2)C(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL18853932	585.525	ZWLRARCRURRDTI-NQCNTLBGSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162915
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(ccc1C(=O)N)c1[nH]cc(n1)C(=O)O	SCHEMBL1370916,PC-id_67008906	585.539	KCDFTYHLZIABKJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-162916
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccc(cc1[N+](=O)[O-])C(F)(F)F	PC-id_68660770,SCHEMBL3484681	585.578	YTZRHEMKNPKKRL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162917
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(ccc1F)OC(F)(F)F	PC-id_134170965,SCHEMBL19772138	585.634	QPXFCCSTLBFPBB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162918
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cc(ccc1F)OC(F)(F)F	SCHEMBL18378698	585.634	QPXFCCSTLBFPBB-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-162919
O1C(Cn2c1nc([N+](=O)[O-])c2)(COc1ccc(N2CCN(CC2)C(=O)CN2CCN(CC2)C(=O)OC(C)(C)C)cc1)C	SCHEMBL3465895,PC-id_68653423	585.652	YUXFGNRGWKYGAY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162920
CCN(c1ccccc1)C(=O)[N+]1(c2c(ccs2)C(=N1)NC(=O)c1ccccc1NC(=O)c1c[nH]cc1)C(=O)OC(C)C	PC-id_89724055,SCHEMBL15153546	585.653	KQDUMKRXGKZONQ-UHFFFAOYSA-O	00000011110000110001000010000000000000000000000000000000	25-01-162921
CCCNC(C(=O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)C)Oc1ccc(cc1)C(=O)c1ccc2n1CCC2	PC-id_118604676,SCHEMBL17369584	585.672	VGGBYSLYJVEPPZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162922
O=C(CNC(=O)CNC(=O)CNC(=O)CSC(=O)C)NCCCCOc1ccc(cc1)C(=O)c1ccc2n1CCC2	SCHEMBL17369572,PC-id_118604665	585.672	PLHSQHNGFJLDCF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162923
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700336,MCULE-2640874672,PC-id_3354207,CoCoCo_2661440	585.693	HSTIMHOLXYSBKG-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-162924
COCCN(c1cc(ccc1N1CCN(CC1)C)C(=O)Nc1nn(c2c1CN(C2)C(=O)OC(C)(C)C)C(=O)OCC)C	PC-id_57703883,SCHEMBL4278036	585.695	HBYUJYGYCKKXQS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162925
C=CCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434356,PC-id_67031030	585.697	GRWQTLDTIMUTLA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162926
C=CCOC(=O)n1nc(c2c1CNC2C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1435111,PC-id_67031372	585.697	VAAKGTPPDZBLOG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162927
C=CCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_44518956,SCHEMBL1434355	585.697	KMKSSHRRQRYHJV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162928
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700756,PC-id_4565700,CoCoCo_2661704,MCULE-6486016267	585.713	BYUOIDNQXOVITK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162929
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700528,MCULE-3411744082,CoCoCo_2661565,PC-id_3258290	585.713	BDXWKXGJRRHVBL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162930
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)OCCCC)n2C)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700986,PC-id_3514910,MCULE-6621785124	585.738	ZIWBTZFNWVRLGY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162931
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3OC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-6455962508,PC-id_4533655,EMOLS-id_22701470	585.738	XKHUCXGRGXQCAI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162932
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)OC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-6976647729,EMOLS-id_22700974,PC-id_3356136	585.738	QTOAOFJNMRZTGE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162933
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_11051476,MCULE-1756313746,PC-id_4595345	585.738	MESJBXBENPGHKS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162934
c1(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4360446,EMOLS-id_11051616,MCULE-2267944445	585.738	QEZGKMCESPJLRH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162935
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-5095091198,PC-id_4182654,CoCoCo_2661262,EMOLS-id_11051682	585.738	DLWOJTCRSNPYLG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162936
CCCCn1c(nnc1CNC(=O)c1cccc(c1)OC)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662442,PC-id_97991671	585.738	MESJBXBENPGHKS-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162937
CCCCn1c(nnc1CNC(=O)c1ccccc1OC)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662584,PC-id_98229485	585.738	XKHUCXGRGXQCAI-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162938
CCCCn1c(nnc1CNC(=O)c1cccc(c1)OC)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_97991672,CoCoCo_2662441	585.738	MESJBXBENPGHKS-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162939
CCCCn1c(nnc1CNC(=O)c1ccc(cc1)OC)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229241,CoCoCo_2661866	585.738	QTOAOFJNMRZTGE-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162940
CCCCn1c(nnc1CNC(=O)c1ccc(cc1)OC)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229242,CoCoCo_2661865	585.738	QTOAOFJNMRZTGE-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162941
CCCCn1c(nnc1CNC(=O)c1ccccc1OC)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229486,CoCoCo_2662583	585.738	XKHUCXGRGXQCAI-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162942
CCCCn1c(nnc1CNC(=O)COc1ccccc1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662139,PC-id_97991704	585.738	QEZGKMCESPJLRH-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162943
CCCCn1c(nnc1CNC(=O)COc1ccccc1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662140,PC-id_97991703	585.738	QEZGKMCESPJLRH-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162944
CCCCOc1ccc(cc1)C(=O)NCc1nnc(n1C)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2661877,PC-id_98229260	585.738	ZIWBTZFNWVRLGY-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162945
CCCCOc1ccc(cc1)C(=O)NCc1nnc(n1C)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229258,CoCoCo_2661878	585.738	ZIWBTZFNWVRLGY-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162946
O(C1C(n2nnc(c2C1OC(=O)C)COCc1ccc(OC)cc1)CCCCCCCCCCCCCCC)C(=O)C	PC-id_76387107	585.775	GXMIHSHSZJBXFN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162947
O([C@H]1[C@@H](n2nnc(c2[C@H]1OC(=O)C)COCc1ccc(OC)cc1)CCCCCCCCCCCCCCC)C(=O)C	PC-id_56652147	585.775	GXMIHSHSZJBXFN-FLPLPDKSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162948
O([C@@H]1[C@H](n2nnc(c2[C@H]1OC(=O)C)COCc1ccc(OC)cc1)CCCCCCCCCCCCCCC)C(=O)C	PC-id_56652501	585.775	GXMIHSHSZJBXFN-JORIVFIJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162949
O(c1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(CC)C(=O)NCCc1nc2n(n1)N=CC2=Nc1ccc(N(C)C)cc1	PC-id_20738799	585.783	BIAKCJDUDJRZJV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-162950
s1c2c(C([Si](Oc3c(c(C(C)(C)C)cc(C(C)(C)C)c3)/C=N/c3c(C(C)C)cccc3C(C)C)(C)C)C(=C2)C)cc1	PC-id_20769561	585.957	JTGZPZHIGVVHCH-NNLKUIAGSA-N	00000011100000110000000010000000000000000000000000000000	25-01-162951
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_11051550,PC-id_3560821,MCULE-9289984706,CoCoCo_2661525	586.082	QGONDYSOAAXKCQ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-162952
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(c(cc1)C(F)(F)F)Cl	PC-id_134170866,SCHEMBL19772036	586.089	ZUZHXKJKMGXYGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162953
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccc(c(c1)Cl)C(F)(F)F	SCHEMBL18379085	586.089	ZUZHXKJKMGXYGW-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-162954
CC(CCN1CC2=CC(=CN2C1=O)C#CC#CC3(CC3)C[C@H](OC(=O)[O-])OP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	PC-id_154039719	586.09	UCHLUGBVJHIOPW-OQHSHRKDSA-M	00100010100000000001000010000000000000000000000000000000	25-01-162955
CCS(=O)(=O)C1=CC=C(C=C1)[C@H](CO)NC(=O)C2=CC3=C(S2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602970	586.215	AZAUETINTBKKFS-ULETYISGSA-N	00000010100010110000000010000000000000000000000000000000	25-01-162956
CCS(=O)(=O)C1=CC=C(C=C1)[C@H](CO)NC(=O)C2=CC3=C(S2)[C@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602978	586.215	AZAUETINTBKKFS-QHBITCPNSA-N	00000010100010110000000010000000000000000000000000000000	25-01-162957
CCS(=O)(=O)C1=CC=C(C=C1)[C@H](CO)NC(=O)C2=CC3=C(S2)C(N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602983	586.215	AZAUETINTBKKFS-JCXMHOSSSA-N	00000010100010110000000010000000000000000000000000000000	25-01-162958
CC(CC(C)(C)/C(=CC=C(/N=C)[N+]1=CC=C2N1C(CC2)(C)S(F)(F)F)/C(=C)NS/C(=C(C)/N)/C=NC)CNC	PC-id_153353032	586.297	QJQSXJSCMKGYDM-QFETZFJFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-162959
Brc1c(OCc2ccccc2)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_5064769	586.454	WJTPBBUEFKXBEW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162960
Brc1c(OCc2ccccc2)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9606022	586.454	WJTPBBUEFKXBEW-XODNFHPESA-N	00000010100000110000000010000000000000000000000000000000	25-01-162961
FCCCc1ccc(cc1C(F)(F)F)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740039	586.501	CBFSANWUGZMIDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162962
FCCCc1ccc(cc1C(F)(F)F)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18740308	586.501	CBFSANWUGZMIDS-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162963
FCCCc1cc(CN2CCn3c2c(C(=O)NC(c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740191	586.501	FCFYSCJVOKDMAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162964
FCCCc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740237	586.501	FCFYSCJVOKDMAR-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162965
CCCC[Sn](c1sc2c(c1)CN(C2=O)CCO[Si](CC)(CC)CC)(CCCC)CCCC	PC-id_140122540	586.524	KUZFGNVSWAPZPA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162966
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@@H]1Cn1nc2c(n1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)[O-]	SCHEMBL17209705,PC-id_118475555	586.554	QOZYHZRTBGQRBO-UGKGYDQZSA-M	00001010100000110001000010000000000000000000000000000000	25-01-162967
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@H]1Cn1nc2c(n1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)[O-]	SCHEMBL17209706,PC-id_118475557	586.554	QOZYHZRTBGQRBO-KNQAVFIVSA-M	00001010100000110001000010000000000000000000000000000000	25-01-162968
s1c2c(CCC2)c(c1NC(=S)NC(=O)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C)C(=O)OCC	PC-id_4863581	586.632	HIWWBWLLIRKOLV-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162969
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#Cc1ccc(cc1)C1(O)CN(C1)C(=O)OC(C)(C)C)C	PC-id_140781548	586.657	RDTQPASKOLIVRC-HHHXNRCGSA-N	00001010100000110001100010000000000000000000000000000000	25-01-162970
CCN(c1ccccc1)C(=O)C1(c2c(N(N1)C(=O)OC(C)C)scc2)NC(=O)c1ccccc1NC(=O)c1c[nH]cc1	PC-id_89724054,SCHEMBL15153545	586.661	DORBSQGBMFRUGJ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-162971
O1C(C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC)COCC1Oc2n(C1)ccn2	PC-id_72672635	586.675	MYFJQMGRXZWJPB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-162972
O1[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1OC)COCC1Oc2n(C1)ccn2	PC-id_60170757	586.675	MYFJQMGRXZWJPB-VQTQSSJESA-N	00000010100010110001000010000000000000000000000000000000	25-01-162973
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC1CCCC1)c1ccccc1	PC-id_67030910,SCHEMBL1434122	586.681	LOVHHUSXLVOYAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162974
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC1CCCC1)c1ccccc1	PC-id_67030908,SCHEMBL1434119	586.681	LOVHHUSXLVOYAG-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162975
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4079145,EMOLS-id_11051518,MCULE-9729428114,CoCoCo_2661120	586.683	LCOVYKKHAMWVKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162976
C=CCOC(=O)N1C[C@H](C[C@H]1CCN1CCn2c1cc[n+]2C)SC1=C(C(=O)OCC=C)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C	PC-id_141804347	586.723	IQHJAILGXJQXPZ-BLLLPLFDSA-N	00001011100000000001001010000000000000000000000000000000	25-01-162977
CC(C)[C@@H]1c2c(CN1Cc1ccc(cc1)C#N)sc(n2)NC(=O)Cc1ncc(cn1)S(=O)(=O)CCc1ccccc1	SCHEMBL19772080,PC-id_134170908	586.728	ZNBAELNBZGGVTC-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-162978
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)N=C(/C=C/1NCCN(C1)C)N)CCn1c(C)cc2c1CC(C2)(C)C	SCHEMBL21235890,PC-id_139381284	586.728	GZUGYJGKWBINPT-OYKKKHCWSA-N	00000010100010101001100010000000000000000000000000000000	25-01-162979
COc1c(cc(cc1NS(=O)(=O)C)C(C)(C)C)NC(=O)c1ccc(c(c1)N(/C=C(/c1c[nH]c2[n+]1CCS2)N)N)C	PC-id_143110787	586.749	LDUPXIMWCPNKQD-CYVLTUHYSA-O	00000010100000110001000010000000000000000000000000000000	25-01-162980
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CSC1NC(CC(=O)N1)C)c1ccccc1)C(=O)OCC	PC-id_72662709	586.749	QERLEIHPWLNGBI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162981
CC(C)[C@H]1c2c(CN1CC1CCC(CC1)C(=O)N)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(C)C1CCC1	PC-id_134170729	586.809	ZIWAZSNIFFXAMK-DAEOFTQPSA-N	00001010100010110001000010000000000000000000000000000000	25-01-162982
O=C(Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](CC1)C(=O)N)Cc1ccc(cc1)S(=O)(=O)C(C1CCC1)C	SCHEMBL19771896	586.809	ZIWAZSNIFFXAMK-YSHJESQZSA-N	00001010100010110001000010000000000000000000000000000000	25-01-162983
C=CC1Oc2c(N1C(=O)NC1CCCC(C1C)C)c(=O)n(n2C(=O)Nc1cc(F)cc(c1)Cl)Cc1ccc(cn1)F	PC-id_70280120,SCHEMBL8119912	587.017	YNCKMHISMRXWFH-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-162984
CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408615059	587.031	LJSWJMRACDPCHU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162985
COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408628518	587.031	YKXSWMAZJNHFEU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162986
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(c(Cl)c4)C(F)(F)F)Cc3s2)nc1	PC-id_145713363,BindingDB_PC-id_145713363,BindingDB-id_722803	587.077	FHJRXRUBIXMFTB-HSZRJFAPSA-N	00000010100000111001000010000000000000000000000000000000	25-01-162987
C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3(CC3)COC(=O)OCOP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	PC-id_154466758	587.097	JSALYFNFUKNOOX-OAQYLSRUSA-N	00100010100000000001000010000000000000000000000000000000	25-01-162988
C1C2=C(CN1)N(N=C2C(F)(F)F)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_149176929	587.176	XAEKEWNUFNHSDF-QGZVFWFLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-162989
CCS(=O)(=O)C(=C)C=N/C(=CC)/CNC(=O)C1=CC2=C(S1)[C@@H](N(C2=O)CC3CCC(CC3)C(F)(F)F)C(C)C	PC-id_155005660	587.21	SBVUFIQWMBXSAZ-JKESLDADSA-N	00000010100010000000000010000000000000000000000000000000	25-01-162990
CCCCCCC(N1C(=O)c2c(C1=O)c(sc2I)I)CCCCCC	PC-id_101962223	587.297	ABLLSHFYDLKFMO-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-162991
O=C(NCC(F)(F)F)CNC(=O)c1sc(c2c1CCC2)C(=C)CC(C(F)(F)F)(c1cc(Cl)cc(c1)Cl)C	PC-id_144476704	587.405	DZXOPCXNBYKVLQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-162994
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)cc([N+](=O)[O-])c1	PC-id_24946089	587.458	RSCMZQPAMSYGMB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162995
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4cc([N+](=O)[O-])c(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_68661040,SCHEMBL3485442	587.458	YWRYHTZBFQQREQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-162996
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)CC(OC(=O)O)OP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20537118,PC-id_135359157	587.494	UCHLUGBVJHIOPW-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-162997
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)OCOP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20536941,PC-id_135359106	587.494	JSALYFNFUKNOOX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-162998
ONC(=O)C(S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)C[C@@H](OP(=O)(O)O)OC(=O)O)C	PC-id_140293630	587.494	UCHLUGBVJHIOPW-OQHSHRKDSA-N	00100010100000000001000010000000000000000000000000000000	25-01-162999
CC(CNC(=O)CCCOc1ccc(cc1)OC)c1nn2c(n1)C(=Nc1cc(c(c(c1)Cl)O)Cl)C(=N2)C(C)(C)C	PC-id_136151296	587.497	YVMOQXWDCYCYAL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163000
C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_86719774,SCHEMBL14487578	587.516	JDTBAMTVHKCBPC-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163001
C1Cc2c(n(nc2C1)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	SCHEMBL15708289,PC-id_86719778	587.516	HTOSVUXCIZZECL-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163002
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc2c(c1C(F)(F)F)CCC2	SCHEMBL14555475	587.516	HTOSVUXCIZZECL-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163003
O=C(Cn1nc(c2c1CCC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14487576	587.516	JDTBAMTVHKCBPC-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163004
CCOC(=O)C1(c2c(c(c(n2C(=S)O1)C(=O)OC)C(=O)OC)C(=O)c1ccc(cc1)C)C(=CC(=O)OC)C(=O)OC	PC-id_136664398	587.552	VIAXIFDACWQKKU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163005
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@@H]1Cn1nc2c(n1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)O	PC-id_118475556	587.562	QOZYHZRTBGQRBO-UGKGYDQZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163006
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@H]1Cn1nc2c(n1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)O	SCHEMBL17209703,PC-id_118475553	587.562	QOZYHZRTBGQRBO-KNQAVFIVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163007
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)N1CCC(CC1)N(C)CC=Cc1ccc(cc1)OC(F)(F)F	PC-id_87333736,SCHEMBL2095592	587.59	DNRDYLOBZIVGGT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163008
CN(C1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])C/C=C/c1ccc(cc1)OC(F)(F)F	PC-id_67275539,SCHEMBL2095587	587.59	DNRDYLOBZIVGGT-ASSBYYIWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163009
FC(F)(F)Oc1ccc(C=CCN(C2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C)cc1	PC-id_67275540	587.59	DNRDYLOBZIVGGT-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163010
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)[C@H]2N(CCC2)C)cc(OC)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524053	587.638	XDBKVCJJAORJBW-DEOSSOPVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163011
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)N(C)C)NC(=O)C1CCCN1)C	PC-id_89857755,SCHEMBL15327611	587.641	KLFBYZLTICQTPL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163012
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68985609,SCHEMBL4282762	587.641	MQYRAGLANXDPJP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163013
COCC(Oc1cc(Oc2ccc(cc2)S(=O)C)cc(c1)C(=O)Nc1nc2c(s1)CN(C2)C(=O)OC(C)(C)C)C	PC-id_145120690	587.708	TYFTYDBEJUNSMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163014
CCCCCOC(=O)n1cc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_89723943	587.709	MPQLZISMZUFFDO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163015
CCCCCOC(=O)n1cc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL15153391	587.709	MPQLZISMZUFFDO-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163016
CCc1ccccc1N(C(=O)C1NCc2c1c(NC(=O)c1ccc(cc1)N1CCN(CC1)C)nn2C(=O)OC(C)C)CC	SCHEMBL1434692,PC-id_67031199	587.712	SDXIGNLWNTVQIY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163017
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)C)CC	SCHEMBL1433498,PC-id_44518955	587.712	XNDYTDRAYSGBGW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163018
CCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434300,PC-id_67031003	587.712	LAFWXRBYKSLKLP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163019
CCCOC(=O)n1nc(c2c1CNC2C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434352,PC-id_67031029	587.712	LYVXAULVGRGGPI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163020
CCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434298,PC-id_44518786	587.712	LKKKOXIEVVXQFL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163021
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)C	SCHEMBL1433502,PC-id_67030536	587.712	XFOCAUPHKLKQIO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163022
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1)C	PC-id_140963663	587.712	JOKRFKBVFTZXOG-AOYPEHQESA-N	00000010100010110001000010000000000000000000000000000000	25-01-163023
COc1cc(cc(c1OC)OC)C(C1Sc2n(C1O)nc(n2)C)N1CCN(CC1)C(c1ccccc1)c1ccccc1	SCHEMBL14665177,PC-id_71241364	587.732	RIOQWZKTFLHZRR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163024
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CSC1NC(N)CC(=O)N1)c1ccccc1)C(=O)OCC	PC-id_72662837	587.737	YETYMVYZZZGLSQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163025
O=C(N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C)N[C@@H](c1ccccc1)COCOC(=O)C(C)(C)C	SCHEMBL19312179	587.774	ZBUSZRAAVURULP-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163026
O=C(OCC(C)(C)C)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537133	587.774	QNOCLKIMZPAVFN-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163027
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1C1CCCCC1	EMOLS-id_11051466,PC-id_4564798,MCULE-5454933305	587.777	WIASPLDQUJCPFK-UHFFFAOYSA-N	00000010100110000001100010000000000000000000000000000000	25-01-163028
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_97991665,CoCoCo_2662245	587.777	WIASPLDQUJCPFK-MRXNPFEDSA-N	00000010100110000001100010000000000000000000000000000000	25-01-163029
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_97991666,CoCoCo_2662246	587.777	WIASPLDQUJCPFK-INIZCTEOSA-N	00000010100110000001100010000000000000000000000000000000	25-01-163030
S(=O)(=O)(CCCCCCCCCCCC)CCCc1n2nc(C(C)(C)C)c(=Cc3oc(N(CC)CC)cc3)c2nn1	PC-id_71436798	587.86	BWBWKZQDCNTOOD-UHFFFAOYSA-N	00000000101000000001000010000000000000000000000000000000	25-01-163031
Clc1c(COc2c(OCC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(F)ccc1	PC-id_19659530	588.047	UULSIKDHULTXTN-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163032
Clc1c(COc2c(OCC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)c(F)ccc1	PC-id_73634015	588.047	UULSIKDHULTXTN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163033
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)c(F)ccc1	PC-id_5155641	588.047	PMAQCMWNDYVJDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163034
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)c(F)ccc1	PC-id_9609905	588.047	PMAQCMWNDYVJDJ-VWJSQJICSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163035
CC1(c2c(CN1C(=O)O[C@H](CN(C)C)c1ccccn1)c(n[nH]2)NC(=O)c1ccccc1[I]=C)C	PC-id_163734429	588.135	LCIWBVQXLSAZCF-HXUWFJFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163036
CC(C)(C)OC(=O)CC1CCC(CC1)(C#N)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_164801004	588.195	VOMUBURKLBSAAK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163037
FB(n1c2cc(sc2cc1/C(=C
/C=c2c(=N1)cc(s2)Sc1ccccc1)/C(F)(F)F)Sc1ccccc1)F	PC-id_139258910	588.466	GJWSFXWXMPJZKV-XIEYBQDHSA-N	00000010100000110000000110000000000000000000000000000000	25-01-163038
C1c2c(CN1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	SCHEMBL15708637,PC-id_89369900	588.504	GLGRGFYYYYQHPB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163039
C1c2c(n(nc2CN1)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	PC-id_86719788,SCHEMBL15708541	588.504	QVQYEYQGJFZARM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163040
C1c2c(n(nc2CN1)CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F)C(F)(F)F	SCHEMBL14484992,PC-id_89350671	588.504	GCEXLQXAOOOKHG-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163041
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc2c(c1C(F)(F)F)CNC2	SCHEMBL14484988	588.504	QVQYEYQGJFZARM-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163042
O=C(Cn1nc(c2c1CNC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555525	588.504	GLGRGFYYYYQHPB-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163043
COCc1ccc(cc1)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)F	SCHEMBL15724082	588.543	KLEVXAKQGGPKSH-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163044
COCc1ccc(cc1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CCC2(F)F)c(n1)C(F)F	PC-id_90162466	588.543	KLEVXAKQGGPKSH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163045
OC(=O)[C@@H]1CCCN1c1ccc(c(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C(=O)N	PC-id_67009986,SCHEMBL1373658	588.583	YGWRWPSCCXNYHF-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163046
CN1CCC(CC1)Oc1ccc(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68986365,SCHEMBL4284385	588.626	PJMWUILFMNAJSO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163047
COc1ccc(c(c1)NC(=O)C1CCCN1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_143485311	588.626	ARGDQPQFMBDGRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163048
COc1ccc(c(c1)NC(=O)[C@@H]1CCCN1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370548,PC-id_57749853	588.626	ARGDQPQFMBDGRZ-QFIPXVFZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163049
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1C(=O)N)OCCC1CCCN1	PC-id_69153281,SCHEMBL4704524	588.626	LQHRSYAEVHPLIN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163050
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1C(=O)N)OCCN1CCCC1	PC-id_68986459,SCHEMBL4284551	588.626	NXNNGSBSYDADFB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163051
CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408626464	588.692	XGNQLOZPZGTUEZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163052
COc1ccc(cc1)[C@@H](N1Cc2c([C@@H]1Cc1ccccc1)noc2[C@@H](c1ccccc1)O)[C@H](Cc1ccccc1)OC(=O)C	PC-id_102261150	588.692	SMNKUDDPSGANQF-WKEQUWASSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163053
CCOc1c(ccc(c1)C(CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2N=C(c1ccccc1)c1ccccc1)OC	PC-id_137355425,SCHEMBL20579882	588.694	VVMGROIIOOMHBE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163054
CCOc1c(ccc(c1)[C@@H](CS(=O)(=O)C)N1C(=O)c2c(C1=O)scc2N=C(c1ccccc1)c1ccccc1)OC	SCHEMBL20579881,PC-id_137355424	588.694	VVMGROIIOOMHBE-XMMPIXPASA-N	00000010100000110000000010000000000000000000000000000000	25-01-163055
CCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030828,SCHEMBL1433988	588.697	HQKLYAUPYLIBOW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163056
CCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030825,SCHEMBL1433985	588.697	HQKLYAUPYLIBOW-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163057
CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C(C)(C)C	PC-id_68443924,SCHEMBL2927150	588.697	MLGZGZQCJYSILS-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163058
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C)c1ccccc1	PC-id_67030905,SCHEMBL1434114	588.697	SJUPLSVPFHZNNC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163059
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C)c1ccccc1	SCHEMBL1434110,PC-id_67030903	588.697	SJUPLSVPFHZNNC-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163060
O(C(C(=O)N1Cc2c(n(nc2NC(=O)c2ccc(N3CCN(C(C)(C)C)CC3)cc2)C(=O)OCC)C1)c1ccccc1)C	PC-id_21874000	588.697	MLGZGZQCJYSILS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163061
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(CC4CC[C@@](CC4)(OC)C(F)(F)F)Cc3s2)nc1	BindingDB-id_722806	588.706	KOAMDYVRRYSTBI-MPBSXOEASA-N	00000010100010101001000010000000000000000000000000000000	25-01-163062
CCS(=O)(=O)c1cnc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)CC1CCC(CC1)(C(F)(F)F)OC	PC-id_134170826	588.706	KOAMDYVRRYSTBI-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163063
COC1(CCC(CC1)CN1Cc2c([C@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC)C(F)(F)F	BindingDB_PC-id_145713366,PC-id_145713366	588.706	KOAMDYVRRYSTBI-AWBGBBLSSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163064
CO[C@@]1(CC[C@H](CC1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC)C(F)(F)F	SCHEMBL19771995	588.706	KOAMDYVRRYSTBI-BOPNQMIFSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163065
CO[C@@]1(CC[C@@H](CC1)CN1Cc2c(C1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC)C(F)(F)F	SCHEMBL19772169	588.706	KOAMDYVRRYSTBI-BKPSKMTQSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163066
CO[C@@]1(CC[C@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC)C(F)(F)F	SCHEMBL18367880	588.706	KOAMDYVRRYSTBI-XPEQFSOGSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163067
CO[C@@]1(CC[C@@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cn1)S(=O)(=O)CC)C(F)(F)F	SCHEMBL18367883	588.706	KOAMDYVRRYSTBI-DQXHVOOISA-N	00000010100010101001000010000000000000000000000000000000	25-01-163068
CC1C=C(F)C(=CC1c1n[nH]c(=O)c(c1)Nc1ccc(cn1)[C@H]1CCCN1C)NC(=O)c1cc2c(s1)CC([C@@H]2C)(C)C	SCHEMBL19981972,PC-id_134355551	588.739	CMJRNUUJXLWQFC-YHUOCERXSA-N	00000010100011101001100010000000000000000000000000000000	25-01-163069
CCN(c1ccccc1)C(=O)[N+]1(c2c(ccs2)C(=N1)NC(=O)c1ccc(cc1)CN1CCCCC1)C(=O)OC(C)(C)C	PC-id_89723891,SCHEMBL15153327	588.74	ABBDPCXPNWZUJI-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-163070
c1(NC(=O)CCCCCCCCC(=O)Nc2sc3c(CCC3)c2C(=O)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3129080,SPECS-id_AF-399/13278074,BAS-01262947,EMOLS-id_1325020,ZINC22_6142201,CoCoCo_184946,MCULE-3082130373	588.778	YGNPVXCBHYVGFG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163071
[Si](OCC1n2c(C(OCc3ccccc3)C1OCc1ccccc1)cnc2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85298404	588.811	ARILQMKZWZKRJF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163072
[Si](OC[C@@H]1n2c([C@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)cnc2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10875639	588.811	ARILQMKZWZKRJF-QGBCWPEESA-N	00000010100000110001000010000000000000000000000000000000	25-01-163073
[Si](OC[C@H]1n2c([C@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)cnc2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10929996	588.811	ARILQMKZWZKRJF-ZTJXOPACSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163074
[Si](OC[C@H]1n2c([C@@H](OCc3ccccc3)[C@H]1OCc1ccccc1)cnc2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11039206	588.811	ARILQMKZWZKRJF-LBYVEUBFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163075
[Si](OC[C@H]1n2c([C@H](OCc3ccccc3)[C@H]1OCc1ccccc1)cnc2)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11050202	588.811	ARILQMKZWZKRJF-SBPNQFBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163076
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)CC(=O)O)C(F)(F)F)F	PC-id_165035272	589.14	XJSMZBJYYYCUIO-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163077
C[C@@H](C1=CC=C(C=C1)C(=O)CC2(CC2)C#N)NC(=O)C3=C4N(CCN4N=C3C(F)(F)F)CC5=CC(=CC=C5)C(F)(F)F	PC-id_160574196	589.191	RAXXJJDQVUSEJI-KRWDZBQOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-163078
C1c2c(CO1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_89350986,SCHEMBL14487304	589.488	RSCAUDXGYXWRCY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163079
C1c2c(n(nc2CO1)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	PC-id_89350672,SCHEMBL15708430	589.488	AZFJBPBLZKSWQH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163080
C1c2c(n(nc2CO1)CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F)C(F)(F)F	SCHEMBL14485002,PC-id_89350673	589.488	YSBJBBJQOICPDZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163081
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc2c(c1C(F)(F)F)COC2	SCHEMBL14485001	589.488	AZFJBPBLZKSWQH-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163082
O=C(Cn1nc(c2c1COC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14487303	589.488	RSCAUDXGYXWRCY-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163083
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(Cn1nc2c(c1C(F)(F)F)CCC2)O	SCHEMBL17067167,PC-id_118357914	589.532	POVYQAUGSBJNNH-SKCDSABHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163084
OC(Cn1nc(c2c1CCC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL17067098,PC-id_118357848	589.532	LGWIFCXNXNXYTA-LFQPHHBNSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163085
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)N[C@H](c1ccc(cc1)CNS(=O)(=O)C)C	SCHEMBL18758506	589.553	OUAWLJKPMLEBQW-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163086
NCC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	SCHEMBL4285299,PC-id_68986812	589.614	YNABPWRWMNLENF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163087
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-4291918748,CHEMBL593255,EMOLS-id_22700116,GD-id_ZINC49756639,ChEMBL-DNDi_CHEMBL593255,PC-id_4110693,CoCoCo_2661305	589.728	CNPSTJMWMRSPPG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163088
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661342,MCULE-8932684159,EMOLS-id_22700178,PC-id_4338419	589.728	QTAGBDWYMKXOOH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163089
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2Cc2ccccc2)sc2CCCc12	MCULE-3969451875,CoCoCo_2661292,PC-id_4100003,EMOLS-id_22700100	589.728	BQLQYLZENRCVCF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163090
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2Cc2ccccc2)sc2CCCc12	EMOLS-id_11051732,PC-id_4093936,MCULE-8042844050,CoCoCo_2661327	589.728	KYHUNDAUJUFNKD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163091
CCN(c1ccccc1)C(=O)C1(c2c(N(N1)C(=O)OC(C)(C)C)scc2)NC(=O)c1ccc(cc1)CN1CCCCC1	SCHEMBL15153324,PC-id_89723889	589.748	MAZVKXNMSGFAJS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163092
CC[C@@H]1c2c(CN1Cc1ccc(cc1)OCC)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCc1ccccc1	SCHEMBL19772230,PC-id_134171050	589.768	QRGJDKOKPWUVKB-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163093
Brc1sc(Br)c2c1C(NC(=O)CCCN1CCN(CC1)Cc1c(Cl)cccc1)CC2=O	PC-id_11505262	589.771	LLDBURYAISYRCV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163094
CCCCCCCCCCS(=O)(=O)NC(c1nnc2n1N=C(/C/2=N/c1ccc(cc1OC)N(CCO)CC)CC)C	SCHEMBL14573669	589.793	YTIABYJGAGCITN-IKPAITLHSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163095
S(=O)(=O)(NC(c1n2N=C(C(=Nc3c(OC)cc(N(CCO)CC)cc3)c2nn1)CC)C)CCCCCCCCCC	PC-id_58838946	589.793	YTIABYJGAGCITN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163096
COC(=O)N1[C@@H](CC[C@@H]1[C@@H](c1cccnc1)O[Si](C(C)(C)C)(C)C)Cc1ccc(cc1)NC(=O)[C@H]1CCc2n1ncc2	PC-id_70913506,SCHEMBL13468454	589.8	VYCFXUJMBBWESS-AMSOURPBSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163097
[Si](OC(C1N(C(CC1)Cc1ccc(NC(=O)C2n3nccc3CC2)cc1)C(=O)OC)c1cccnc1)(C(C)(C)C)(C)C	PC-id_77952630	589.8	VYCFXUJMBBWESS-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163098
Clc1ccc(nc1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[C@H]1NC(=O)c1nc2c(s1)C(N(C2(C)C)C)(C)C)C(=O)N(C)C	PC-id_67310223,SCHEMBL2187726	590.137	KMXLZXFJVGNSLY-BHYGNILZSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163099
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4C(N(C(c4n3)(C)C)C)(C)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_77264486	590.137	KMXLZXFJVGNSLY-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163100
C=C(CNC(=O)CS)NCC(=O)NCC(=O)NCS(=O)(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_163850495	590.162	VRWMCFHJPJNNNJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163101
CC1(CCC(CC1)CCC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_165020647	590.236	BFOOVNJUIYJDOE-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163102
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)CC4(CCC(CC4)CC(=O)OC(C)(C)C)C)F	PC-id_164992883	590.236	HSFGPGXUQSVUJF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163103
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1ccc(c(OC)c1)OCc1c(cccc1Cl)Cl)C(=O)OC	PC-id_73562592,MCULE-2863734191	590.472	BBFLNSOLYWAKMR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163104
Clc1c(COc2c(OC)cc(/C=C/C(=O)Nc3sc4c(C(CC4)C(=O)OC)c3C(=O)OC)cc2)c(Cl)ccc1	PC-id_19191875	590.472	BBFLNSOLYWAKMR-XYOKQWHBSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163105
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)ccc(Cl)c1	PC-id_5049815	590.475	QVDYFLLTLQBUDO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163106
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)ccc(Cl)c1	PC-id_9689911	590.475	QVDYFLLTLQBUDO-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163107
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)C)cc2)c(Cl)ccc1	PC-id_5116821	590.475	AXVUHZYFGHYLLF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163108
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OC)/C)cc2)c(Cl)ccc1	PC-id_9608573	590.475	AXVUHZYFGHYLLF-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163109
Clc1c(OCc2cc(ccc2OC)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_19658496	590.475	DWCIHTBZYKFVOW-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163110
Clc1c(OCc2cc(ccc2OC)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_73633001	590.475	DWCIHTBZYKFVOW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163111
CC(c1ccc(cc1)C(=O)NC1(CC1)C#N)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)C(F)(F)F	PC-id_135360566,SCHEMBL20538919	590.52	IHTVXGPSFFQEBE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-163112
N#CC1(CC1)NC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758755	590.52	IHTVXGPSFFQEBE-INIZCTEOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-163113
Brc1ccc(NC(=C)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(CC)C)nc1	PC-id_77472112	590.536	JZMCOPAWRGFXCA-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163114
Brc1ccc(NC(=C)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(CC)C)nc1	PC-id_68300392,SCHEMBL12507877	590.536	JZMCOPAWRGFXCA-RYQLBKOJSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163115
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(C)cccc1Br	PC-id_140882990	590.585	OAHMWQIKOXJBCV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163116
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/2c3n(N=C2C)c(nn3)C(N2CCOCC2)C)C#N)cc(S(=O)(=O)O)cc1	PC-id_21032568	590.592	KIZCTMDYGAOYNV-MOHJPFBDSA-N	00000011100010110001100010000000000000000000000000000000	25-01-163117
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/c3n(N=C2C)c(nn3)C(N2CCOCC2)C)C#N)cc(S(=O)(=O)O)cc1	PC-id_58650660	590.592	KIZCTMDYGAOYNV-HKOYGPOVSA-N	00000011100010110001100010000000000000000000000000000000	25-01-163118
S(=O)(=O)(O)c1c(n2ncc(c2NN=C2c3n(N=C2C)c(nn3)C(N2CCOCC2)C)C#N)cc(S(=O)(=O)O)cc1	PC-id_73735475	590.592	KIZCTMDYGAOYNV-UHFFFAOYSA-N	00000011100010110001100010000000000000000000000000000000	25-01-163119
COC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408625464	590.665	VGPKSQZMLASLFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163120
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)c(n[nH]2)NC(=O)c1ccc(cc1)N1CCNC(C1)COCc1ccccc1	PC-id_24750902,SCHEMBL4282978	590.668	OZPLWNIBQVQJRI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163121
OC1CN(C1)c1ccc(nc1)Nc1cc(nn(c1=O)C)c1ccc(c(c1F)NC(=O)c1cc2c(s1)CC(C2O)(C)C)C	SCHEMBL2488905,PC-id_58540231	590.668	GAJKBWWFQUKTTR-UHFFFAOYSA-N	00001010100000111001100010000000000000000000000000000000	25-01-163122
Brc1cccc(n1)CCCCCC1(CCCCC1)C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N	PC-id_58201371,SCHEMBL12747848	590.671	MVIWDEOTCOUADF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163123
C[C@H]([C@@H]([C@@H]1N=C(C([C@@H]1C)SC1C[n+]2n(C1)cnc2)C(=O)[O-])C(=O)NC(C(=O)O)CSSCC(C(=O)O)N)O	PC-id_101678086	590.693	UJWIRPHNNNIPLH-VKULVUBYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-163124
CC(C)[C@H]1c2c(CN1Cc1cc(=O)n(cc1)C(F)F)sc(n2)NC(=O)Cc1cc(c(cc1)S(=O)(=O)C)C1CCC1	PC-id_134170966,SCHEMBL19772139	590.705	RZFUELBBPXMTLM-SANMLTNESA-N	00001010100000111001100010000000000000000000000000000000	25-01-163125
CCOC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2	ZINC22_408619070	590.71	LOULPCDBWSAGEM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163126
CCOC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408574073	590.71	ILNDMEAJZSMEDY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163127
COc1cccc(c1)NC(=O)C1=C(N)[C@@H](SC1=Nc1ccc(cc1C)C)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_98387347	590.713	YSRSRNFXFLBVAL-RUZDIDTESA-N	00000011100000110000000010000000000000000000000000000000	25-01-163128
COc1cccc(c1)NC(=O)C1=C(N)[C@H](SC1=Nc1ccc(cc1C)C)C(=O)Nc1sc2c(c1C(=O)OC)CCC2	PC-id_98387348	590.713	YSRSRNFXFLBVAL-VWLOTQADSA-N	00000011100000110000000010000000000000000000000000000000	25-01-163129
COc1cccc(c1)NC(=O)C1=C(SC(C1=N)C(=O)Nc1sc2c(c1C(=O)OC)CCC2)Nc1ccc(cc1C)C	MCULE-2873544359,EMOLS-id_48981043	590.713	PJZPBWBNLOYVGP-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-163130
COC(=O)c1c(NC(=O)[C@@H]2SC(=C(C(=O)Nc3cccc(OC)c3)C2=N)Nc2ccc(C)cc2C)sc2c1CCC2	CoCoCo_3773753,CoCoCo_3773754,ZINC22_102930674	590.713	PJZPBWBNLOYVGP-RUZDIDTESA-N	00000011100000110000000010000000000000000000000000000000	25-01-163131
COC(=O)c1c(NC(=O)[C@H]2SC(=C(C(=O)Nc3cccc(OC)c3)C2=N)Nc2ccc(C)cc2C)sc2c1CCC2	CoCoCo_3773756,CoCoCo_3773755,ZINC22_102930675	590.713	PJZPBWBNLOYVGP-VWLOTQADSA-N	00000011100000110000000010000000000000000000000000000000	25-01-163132
s1c2c(CCC2)c(c1NC(=O)C1SC(=Nc2c(cc(cc2)C)C)C(=C1N)C(=O)Nc1cc(OC)ccc1)C(=O)OC	PC-id_3257558	590.713	YSRSRNFXFLBVAL-UHFFFAOYSA-N	00000011100000110000000010000000000000000000000000000000	25-01-163133
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)c1cc(=O)n(cc1)C	PC-id_87056364	590.756	ABAZQDSGQJYFDM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163134
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)c1cn(c(=O)cc1)C	PC-id_87056365	590.756	ICKSVUJBYATCCJ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163135
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)c1c[nH]c(=O)c(c1)C	SCHEMBL16213243,PC-id_117679986	590.756	XOLCPIZVGALKFD-LJAQVGFWSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163136
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)c4ccc(=O)n(C)c4)Cc3s2)cc1	BindingDB-id_722738,SCHEMBL16224809,BindingDB_PC-id_87056365	590.756	ICKSVUJBYATCCJ-PMERELPUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163137
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)c4ccn(C)c(=O)c4)Cc3s2)cc1	BindingDB-id_722737,SCHEMBL16224791,BindingDB_PC-id_87056364	590.756	ABAZQDSGQJYFDM-PMERELPUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163138
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCN(CC1)C(=O)OC(C)(C)C	SCHEMBL16224749,PC-id_117688918	590.798	BCKVOAAINCSPRW-SANMLTNESA-N	00000010100010110001000010000000000000000000000000000000	25-01-163139
CC(C)(C)[C@@H]1c2c(CN1Cc1ccc(cc1)C#N)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	SCHEMBL19772032,PC-id_134170862	590.799	FVYJHSFXNGZIRH-PMERELPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163140
CCCCCCCCN1C(=O)c2c(C1=O)c(sc2[Sn](C)(C)C)[Sn](C)(C)C	SCHEMBL15929351,PC-id_90323750	590.964	OZTCEHFXAQDAPP-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163141
Clc1ccc(s1)C(=O)NC[C@@H](C(=O)N1Cc2c(C1)cnn2C)NS(=O)(=O)c1cccc(c1C)N1CCCC1=O	PC-id_141618688	591.102	KSHUFOBEENXAIQ-KRWDZBQOSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163142
CC1(CCC(CC1)CCC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C=C4)F)F)Cl	PC-id_149343612	591.231	YEQNIPGCLPOQFG-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163143
CC1=C(C=C(C=C1F)NC(=O)C2=C3CCCN3C(=C2Cl)C(=O)C(=O)NC4(CCC(CC4)CC(=O)OC(C)(C)C)C)F	PC-id_164992005	591.231	SSEMGPKEGAPIRV-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163144
OCc1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(Br)cc(c1)C(F)(F)F)C	SCHEMBL18758784	591.344	GSIUQOVMZZLUCX-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163145
Brc1cc(C[C@H]2C[C@H](CC2)[C@H](O)c2cccnc2)ccc1NC(=O)[C@@H]1CCc2sc(Br)nc12	PC-id_58125073	591.358	JMUDCWGFMUTUGT-WEQFPJLPSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163146
Brc1cc(C[C@H]2C[C@H](CC2)[C@H](O)c2cccnc2)ccc1NC(=O)[C@H]1CCc2sc(Br)nc12	PC-id_58125133	591.358	JMUDCWGFMUTUGT-HLMLEMEXSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163147
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1nn2CC(Cc2c1)(C)C	PC-id_77538639	591.431	IGPFZBQPJDMXJT-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-163148
BrC1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)C)c1nn2CC(Cc2c1)(C)C	PC-id_68684788,SCHEMBL3546268	591.431	IGPFZBQPJDMXJT-HWDGFJGFSA-N	00001011100000110001001010000000000000000000000000000000	25-01-163149
CCCCCCCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2Br)Br	PC-id_141270739	591.482	HLEFWODSHREUTI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163150
CCCCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)CCCCCCCC	PC-id_101519289,SCHEMBL18315217	591.482	AEUFRVVBHZLREH-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163151
CC1(Cn2cc(nc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OC(=O)C=CC(=O)OCC#Cc1ccc(cc1)C(F)(F)F	PC-id_87851618	591.493	FLEMPDOSYCDPRV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163152
CC1(Cn2c(cnc2O1)[N+](=O)[O-])CN1CCN(CC1)C(=O)OC(=O)C=CC(=O)OCC#Cc1ccc(cc1)C(F)(F)F	PC-id_89437173	591.493	DGSHFSBDHCGJAL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163153
O=C(OC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)ncc2[N+](=O)[O-])/C=CC(=O)OCC#Cc1ccc(cc1)C(F)(F)F	SCHEMBL14774913	591.493	DGSHFSBDHCGJAL-HJWRWDBZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163154
O=C(OC(=O)N1CCN(CC1)CC1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])/C=CC(=O)OCC#Cc1ccc(cc1)C(F)(F)F	SCHEMBL5537908	591.493	FLEMPDOSYCDPRV-HJWRWDBZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163155
FC(F)(F)Oc1ccc(NC(=O)OCC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67275071,SCHEMBL2093166	591.536	WYTSOFRCBCRLPM-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163156
FC(F)(F)Oc1ccc(NC(=O)OCC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2093169,PC-id_67275072	591.536	WYTSOFRCBCRLPM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163157
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)C)cc1	PC-id_19638077	591.54	JXLQQTYAZAHSKW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163158
CN(C1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CCOc1ccc(cc1)OC(F)(F)F	PC-id_5278897,SCHEMBL2093884	591.579	KGKJRCSRHBHQGG-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163159
CN(C1CCN(CC1)c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CCOc1ccc(cc1)OC(F)(F)F	SCHEMBL2093886,PC-id_67275206	591.579	KGKJRCSRHBHQGG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163160
FC(F)(F)Oc1ccc(OCCCNC2CCN(CC2)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67275419,SCHEMBL2094969	591.579	YMBRFJDNAFYNMB-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163161
FC(F)(F)Oc1ccc(OCCCNC2CCN(CC2)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_67275420,SCHEMBL2094974	591.579	YMBRFJDNAFYNMB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163162
CN1CCN(CC1)c1cc(F)c(c(c1)C(=O)N)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68986817,SCHEMBL4285307	591.605	GKUDCZSXGSRUBL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163163
CCN(c1ccc(c(c1)[N+](=O)[O-])C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)CCN(C)C	PC-id_71013926,SCHEMBL13857379	591.63	JYLTYUBORORFBK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163164
S1C2N(C(=O)C2NC(=O)C(=NOC(C)(C)C(=O)O)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)O	PC-id_75298817	591.64	JNVHDUBDZBEDAZ-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-163165
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC(C)(C)C(=O)O)c2nc(sc2)N)C(=C(C[n+]2c3n(nc2C)CCC3)C1)C(=O)O	PC-id_49833160	591.64	JNVHDUBDZBEDAZ-DNVCBOLYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-163166
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCCF	SCHEMBL1434390,PC-id_87243113	591.676	LPNZSYWZRFCSRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163167
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCCF	PC-id_87243114,SCHEMBL1434392	591.676	XVQOURLUAFHENL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163168
CC(C[C@@H](C(=O)NCCCCNS(=O)(=O)c1ccc(cc1C(F)(F)F)F)NC(=O)Cc1sc2c(c1)CCC2)C	PC-id_140130572	591.682	ZSFNONVCOATQCD-NRFANRHFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163169
c1ccc(cc1)CO[C@@H]([C@H]([C@H]([C@@H]1OCc2c1onc2)OCc1ccccc1)OCc1ccccc1)COCc1ccccc1	PC-id_102208243	591.693	HJDNPSFSOAZYQO-UMHCDNJCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163170
CC(C)[C@H]1c2c(CN1Cc1nn(c(=O)cc1)C(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC1CCC1	PC-id_134170890,SCHEMBL19772062	591.693	MHXJYISQFBAGMD-VWLOTQADSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163171
CC1(Cc2c([C@H]1O)cc(s2)C(=O)Nc1c(ccc(c1)c1nn(c(=O)c(c1)Nc1nn(c(c1)CCN1CCC1)C)C)F)C	PC-id_134355192,SCHEMBL19981555	591.699	DVFGEHZUWWYEMY-HHHXNRCGSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163172
Cc1ccc(c(c1NC(=O)c1cc2c(s1)CC(C2O)(C)C)F)c1cc(Nc2nn(c(c2)CN2CCC2)C)c(=O)n(n1)C	PC-id_58540283,SCHEMBL9984993	591.699	INVWGFITLFDOKC-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163173
Cc1ccc(c(c1NC(=O)c1cc2c(s1)CC([C@H]2O)(C)C)F)c1cc(Nc2nn(c(c2)CN2CCC2)C)c(=O)n(n1)C	PC-id_58540100,SCHEMBL2492393	591.699	INVWGFITLFDOKC-MHZLTWQESA-N	00001010100000110001100010000000000000000000000000000000	25-01-163174
Cc1ccc(c(c1NC(=O)c1cc2c(s1)CC([C@@H]2O)(C)C)F)c1cc(Nc2nn(c(c2)CN2CCC2)C)c(=O)n(n1)C	SCHEMBL2494778,PC-id_58540071	591.699	INVWGFITLFDOKC-HHHXNRCGSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163175
COC1c2cc(sc2CC1(C)C)C(=O)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	PC-id_58540088,SCHEMBL2490213	591.699	KIDRJMDKLKJBIS-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163176
CO[C@@H]1c2cc(sc2CC1(C)C)C(=O)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	SCHEMBL12026174,PC-id_46221069	591.699	KIDRJMDKLKJBIS-HHHXNRCGSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163177
CO[C@H]1c2cc(sc2CC1(C)C)C(=O)Nc1cc(ccc1F)c1cc(Nc2cc(n(n2)C)CN2CCC2)c(=O)n(n1)C	SCHEMBL9984571,PC-id_46221070	591.699	KIDRJMDKLKJBIS-MHZLTWQESA-N	00001010100000110001100010000000000000000000000000000000	25-01-163178
Fc1ccc(c(c1NC(=O)c1cc2c(s1)CC([C@H]2O)(C)C)C)c1cc(Nc2nn(c(c2)CN2CCC2)C)c(=O)n(n1)C	PC-id_58539990,SCHEMBL9984635	591.699	ZZIUYKBPOPQQRP-MHZLTWQESA-N	00001010100000110001100010000000000000000000000000000000	25-01-163179
Fc1ccc(c(c1NC(=O)c1cc2c(s1)CC([C@@H]2O)(C)C)C)c1cc(Nc2nn(c(c2)CN2CCC2)C)c(=O)n(n1)C	SCHEMBL9986336,PC-id_58540254	591.699	ZZIUYKBPOPQQRP-HHHXNRCGSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163180
O=C(c1sc2c(c1)[C@@H](C(C2)(C)C)O)Nc1c(F)ccc(c1C)c1cc(Nc2cc(n(n2)C)C2CCCN2)c(=O)n(n1)C	PC-id_46220857,SCHEMBL9985359	591.699	LKJGCXYXONPDAV-NZVRHLSZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163181
s1c2CC(C(O)c2cc1C(=O)Nc1c(c(c2nn(c(=O)c(Nc3nn(c(C4NCCC4)c3)C)c2)C)ccc1F)C)(C)C	PC-id_75153056	591.699	LKJGCXYXONPDAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163182
s1c2CC(C(O)c2cc1C(=O)Nc1c(c(c2nn(c(=O)c(Nc3nn(c(CN4CCC4)c3)C)c2)C)ccc1F)C)(C)C	PC-id_76817624	591.699	ZZIUYKBPOPQQRP-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163183
C[C@H]([C@@H]([C@@H]1N=C(C([C@@H]1C)SC1C[n+]2n(C1)cnc2)C(=O)O)C(=O)NC(C(=O)O)CSSCC(C(=O)O)N)O	PC-id_101678087	591.701	UJWIRPHNNNIPLH-VKULVUBYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-163184
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(cc4)c4ccn(C)c(=O)c4)Cc3s2)nc1	PC-id_145713365,BindingDB_PC-id_145713365,BindingDB-id_722805	591.744	OCGKIKDJWRYLRY-GDLZYMKVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163185
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(cc1)c1ccc(=O)n(c1)C	SCHEMBL19771993,PC-id_134170824	591.744	AEMSJDUSZKWWNS-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163186
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)c1ccc(=O)n(c1)C	SCHEMBL18367868	591.744	AEMSJDUSZKWWNS-LJAQVGFWSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163187
s1c2c(CCC2)c(c1NC(=O)CCSc1n(c(nn1)CNc1ccc(OCC)cc1)c1ccccc1)C(=O)OCC	PC-id_17047265	591.744	QCFMEXPVSRGFKQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163188
CCS(=O)(=O)c1ccc(cc1C1CCCC1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cccc(c1)C1CC1	SCHEMBL19772116,PC-id_134170943	591.827	SCSXWWWBZLXZRG-JGCGQSQUSA-N	00100010100000110001100010000000000000000000000000000000	25-01-163189
O(C(CCCCCCCCCCCCCCCCCC)C(=O)NCC(c1nc2n(n1)nc(c2=C)C)C)c1ccc(cc1)C	PC-id_60065397	591.87	XDXKTFDGUFGQRD-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-163190
CCCCC[C@H](O[Si](C(C)(C)C)(C)C)/C=C/[C@H]1[C@@H](Cc2c1cc([nH]2)CCCCC(=O)OC)O[Si](C(C)(C)C)(C)C	PC-id_102506063	592.013	CJGRZWSFKVGNQG-MOVJDQABSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163191
CCCCC[C@@H](O[Si](C(C)(C)C)(C)C)/C=C/[C@H]1[C@@H](Cc2c1cc([nH]2)CCCCC(=O)OC)O[Si](C(C)(C)C)(C)C	PC-id_102506064	592.013	CJGRZWSFKVGNQG-RWQFLHMPSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163192
[Si](OC1C(c2c([nH]c(c2)CCCCC(=O)OC)C1)C=CC(O[Si](C(C)(C)C)(C)C)CCCCC)(C(C)(C)C)(C)C	PC-id_85324282	592.013	CJGRZWSFKVGNQG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163193
[Si](O[C@H]1[C@@H](c2c([nH]c(c2)CCCCC(=O)OC)C1)/C=C/C(O[Si](C(C)(C)C)(C)C)CCCCC)(C(C)(C)C)(C)C	PC-id_10940954	592.013	CJGRZWSFKVGNQG-DXVXUOGMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163194
c1(sc2c(CCC2)c1C(=O)Nc1ccccc1)N(Cc1cc(OC)ccc1OC)C(=O)c1ccc(c(c1)N(=O)=O)Cl	MCULE-7760396410,ZINC22_98005231,EMOLS-id_6794394,TIMTEC69987,PC-id_3894943	592.062	BBWHTDVFGHZINE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163195
Clc1ccc(cc1)N(C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Oc2n(C1OS(=O)(=O)C)cc(n2)[N+](=O)[O-])C	PC-id_140040121	592.064	MIKAYIADDYWJMS-JUERFOTFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163196
c1(NC(=O)c2c(Cl)cnc(N(Cc3ccccc3)Cc3ccco3)n2)sc2c(CCC2)c1C(=O)NCC1CCCO1	EMOLS-id_9834373,PC-id_16438183,TIMTEC284843,MCULE-1975817670	592.108	LHIUXVKUUITXEY-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-163197
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1nc(N(Cc2ccccc2)Cc2ccco2)ncc1Cl	CoCoCo_6210461,PC-id_97990591,ZINC22_98047876	592.108	LHIUXVKUUITXEY-HXUWFJFHSA-N	00000010101000110001000010000000000000000000000000000000	25-01-163198
O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1nc(N(Cc2ccccc2)Cc2ccco2)ncc1Cl	ZINC22_98047875,PC-id_97990590,CoCoCo_6210460	592.108	LHIUXVKUUITXEY-FQEVSTJZSA-N	00000010101000110001000010000000000000000000000000000000	25-01-163199
Brc1cc(CC2NC(CC2)C(O)c2cccnc2)ccc1NC(=O)C1CCc2sc(Br)nc12	PC-id_77217816	592.346	ONECFAREVVSNOK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163200
Brc1cc(C[C@H]2N[C@H](CC2)[C@H](O)c2cccnc2)ccc1NC(=O)[C@@H]1CCc2sc(Br)nc12	SCHEMBL1156010,PC-id_66924600	592.346	ONECFAREVVSNOK-XKIVJUNCSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163201
Brc1cc(C[C@H]2N[C@H](CC2)[C@H](O)c2cccnc2)ccc1NC(=O)[C@H]1CCc2sc(Br)nc12	SCHEMBL1156017,PC-id_66924604	592.346	ONECFAREVVSNOK-MMQADKFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163202
Brc1cc(C[C@H]2N[C@H](CC2)C(O)c2cccnc2)ccc1NC(=O)[C@@H]1CCc2sc(Br)nc12	PC-id_66924601,SCHEMBL1156013	592.346	ONECFAREVVSNOK-UJOPOEGESA-N	00000010100000111001000010000000000000000000000000000000	25-01-163203
Brc1cc(C[C@H]2N[C@H](CC2)C(O)c2cccnc2)ccc1NC(=O)[C@H]1CCc2sc(Br)nc12	SCHEMBL1156020,PC-id_66924606	592.346	ONECFAREVVSNOK-GCFDERSISA-N	00000010100000111001000010000000000000000000000000000000	25-01-163204
Ic1ccc(NC(=O)NC(C(C)(C)C)C(=O)N2CCC(CC2)CN2Cc3n(C2=O)c(nc3)C)cc1	PC-id_77940660	592.472	GZKXHKYESGKHOC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163205
Ic1ccc(NC(=O)N[C@H](C(C)(C)C)C(=O)N2CCC(CC2)CN2Cc3n(C2=O)c(nc3)C)cc1	PC-id_70841249,SCHEMBL13123323	592.472	GZKXHKYESGKHOC-NRFANRHFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163206
Brc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CN(C4)C)CC(CC2)C(=O)N(CC)C)nc1	PC-id_72355350	592.508	HIPBZVNUUYRKEV-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163207
Brc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CN(C4)C)C[C@H](CC2)C(=O)N(CC)C)nc1	SCHEMBL12036380,PC-id_59676975	592.509	HIPBZVNUUYRKEV-CWRNSKLLSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163208
FC(F)(F)Oc1ccc(OCCOC2CCN(CC2)Cc2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_53469646	592.564	BYZICAQULSLJES-HHHXNRCGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163209
FC(F)(F)Oc1ccc(OCCOC2CCN(CC2)Cc2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_76037082	592.564	BYZICAQULSLJES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163210
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N(C)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703884,SCHEMBL1374585	592.572	DDKSJUDYSJLUAH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163211
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@H]1Cn1nc2c(n1)CN(C2)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1	SCHEMBL17094463,PC-id_118380176	592.643	PSKOWWTVCHSWDZ-RSXGOPAZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163212
Brc1cccc(n1)CCCCCC1(CCOCC1)C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N	SCHEMBL12747886,PC-id_58201368	592.644	OTOKOCKPHQMCSR-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163213
OCc1c(ccnc1N(CCn1c(C=O)cc2c1CC(C2)(C)C)C)c1cn(C)c(=O)c(c1)Nc1noc(c1)c1ccccc1	SCHEMBL21018373,PC-id_138649995	592.687	QRFBEHOFHRWYJK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163214
s1c2c(CCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1)C)C(=O)OCC	PC-id_23936715	592.707	XJQKNYURRQPZGI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163215
SC[C@@H](C(=O)N(C(Oc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)OC)C)C)NCCN[C@H](C(=O)O)CS	PC-id_118618588,SCHEMBL17385253	592.727	WLSCNLLCIRFYSR-APHPEJJXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163216
CCCCCC(=O)[C@@H](C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(=N4)[C@@H](C)C(=O)CCCCC)n2C1=O	CoCoCo_5683702,PC-id_92281145,ZINC22_5813547	592.732	LJLRIOKCNULYRK-OYRHEFFESA-N	00000011100000000001000010000000000000000000000000000000	25-01-163217
CCCCCC(=O)[C@H](C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(=N4)[C@@H](C)C(=O)CCCCC)n2C1=O	CoCoCo_5683703,NSC625852,ZINC22_5813550,PC-id_92281146	592.732	LJLRIOKCNULYRK-SFTDATJTSA-N	00000011100000000001000010000000000000000000000000000000	25-01-163218
CCCCCC(=O)[C@@H](C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(=N4)[C@H](C)C(=O)CCCCC)n2C1=O	ZINC22_5813551,PC-id_92281147,CoCoCo_5683701	592.732	LJLRIOKCNULYRK-NHCUHLMSSA-N	00000011100000000001000010000000000000000000000000000000	25-01-163219
O=C1n2c(nnc2N=C1C(C(=O)CCCCC)C)CCCCCCCc1n2C(=O)C(=Nc2nn1)C(C(=O)CCCCC)C	PC-id_362248	592.732	LJLRIOKCNULYRK-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-163220
N1(CCCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)OC)SC1=S	PC-id_73468663,MCULE-6467434313	592.752	ZKMWFAACXZTTIN-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163221
s1c2c(CCC2)c(c1NC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)/SC1=S)C(=O)NCc1cccnc1	PC-id_18884066	592.752	ZKMWFAACXZTTIN-HAHDFKILSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163222
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)CC1CN(CCO1)C(=O)OC(C)(C)C	SCHEMBL19772088,PC-id_134170916	592.77	LCCMLYDEXICYJC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163223
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN(C2C(C)C)C[C@H]1CN(CCO1)C(=O)OC(C)(C)C	SCHEMBL19771933,PC-id_134170765	592.77	LCCMLYDEXICYJC-CGHJUBPDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163224
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)CC1OCCN(C1)C(=O)OC(C)(C)C	SCHEMBL18367999	592.77	LCCMLYDEXICYJC-JWIMYKKASA-N	00000010100010110001000010000000000000000000000000000000	25-01-163225
CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1OCCN(C1)C(=O)OC(C)(C)C	SCHEMBL18367935	592.77	LCCMLYDEXICYJC-YKSBVNFPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163226
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@@H]4CCN(CO4)C(=O)OC(C)(C)C)Cc3s2)cc1	BindingDB_PC-id_145713329,BindingDB-id_722760,PC-id_145713329	592.77	HSLNCCCPGJZLMO-CPJSRVTESA-N	00000010100010110001000010000000000000000000000000000000	25-01-163227
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@H]4CN(CCO4)C(=O)OC(C)(C)C)Cc3s2)cc1	BindingDB_PC-id_145713331,PC-id_145713331,BindingDB-id_722762	592.77	ANONMINPMSLTAC-NLFFAJNJSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163228
C1CC2=C(C(=C(N2C1)C(=O)C(=O)NC3(CCC(CC3)CC(=O)O)C(F)(F)F)Cl)C(=O)NC4=CC(=C(C(=C4)F)F)F	PC-id_147167405	593.115	BXBBBVZXFZCVRM-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163229
CC1=CC(=CC=C1)CN2CCN3C2=C(C(=N3)C)C(=O)N[C@@H](C)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)F)F	PC-id_161878393	593.191	HVEHWYJOTRVCGS-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-163230
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CO)C5=CC=CC=C5	PC-id_164942108	593.275	APLCVEJTHAHCAC-YLKQFKMSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163231
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(sc(OC)c1)OC)CC2=O	PC-id_11498241	593.352	HXTRLKCWGFXQPJ-UHFFFAOYSA-N	00000010100110000001000010000000000000000000000000000000	25-01-163232
CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC22_408604825	593.51	ILWNIADDXGDQRA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163233
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)sc2c1CCC2	ZINC22_408616252	593.51	FKSRRPYALSJDQN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163234
C=C[C@@H]1CCc2c1c(nn2CC(=O)N/C(=Cc1cc(F)cc(c1)F)/c1ncccc1c1ccc(c(c1)C(=O)N)F)C(F)F	PC-id_144506098	593.547	PFTKMHQUYSDZFW-SAMUYDCASA-N	00000010100000111001100010000000000000000000000000000000	25-01-163235
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_4152187,CoCoCo_2661707,EMOLS-id_22700762,MCULE-4654273518	593.692	XXEKZFNQWOMNQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163236
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	PC-id_4158045,CoCoCo_2661286,MCULE-9047389552,EMOLS-id_22700090	593.692	BZTVLULWKGIZKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163237
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661568,PC-id_3258292,MCULE-5526683869,EMOLS-id_22700534	593.692	RNODYRSIHBPNIA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163238
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	MCULE-9788799670,EMOLS-id_22700136,PC-id_4604209,CoCoCo_2661319	593.692	AWACLRKFUAKXSM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163239
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2Cc2ccccc2)sc2c1CCC2	MCULE-2755597162,ZINC22_97963282,CoCoCo_4978170,EMOLS-id_5433827,PC-id_4386984	593.692	ZKMQGXFCPNNCBF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163240
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2Cc2ccccc2)sc2CCCc12	PC-id_4660397,CoCoCo_2661554,EMOLS-id_22700506,MCULE-8473838964	593.692	FILXXJYDZWRNJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163241
Cc1c(ccc(c1NC(=O)c1cc2c(s1)CC([C@H]2O)(C)C)F)/C(=C/C(=Nc1nn(c(c1)C1CCCN1)C)C(=O)NC)/N	PC-id_134355205	593.715	FOEJUIWBIMZAGT-KDIQYOBOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163242
CNC(=O)/C(=CC(=N)c1ccc(c(c1C)NC(=O)c1sc2c(c1)[C@@H](C(C2)(C)C)O)F)/Nc1cc(n(n1)C)C1CCCN1	SCHEMBL19981568	593.715	XJQPQFDPSBSCLB-OQRBTKFRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163243
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_4182655,MCULE-8475178649,EMOLS-id_22701514	593.717	KJUSVHFLDXABAT-UHFFFAOYSA-N	00000010101000110001000010000000000000000000000000000000	25-01-163244
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2c2cccc(C)c2C)sc2CCCc12	EMOLS-id_5433837,PC-id_4086938,MCULE-5862112699	593.717	POVYLLBHVXMGIT-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163245
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2c2cc(C)ccc2C)sc2CCCc12	MCULE-9447391258,PC-id_3665001,EMOLS-id_24429396	593.717	HSNZFRXHMJLARG-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163246
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccco3)n2c2cccc(C)c2C)sc2c1CCC2	PC-id_97955092,CoCoCo_4978178,ZINC22_97963290	593.717	POVYLLBHVXMGIT-GOSISDBHSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163247
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccco3)n2c2cccc(C)c2C)sc2c1CCC2	ZINC22_97963291,CoCoCo_4978179,PC-id_97955093	593.717	POVYLLBHVXMGIT-SFHVURJKSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163248
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_98229489,CoCoCo_2662373	593.717	HSNZFRXHMJLARG-GOSISDBHSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163249
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_98229490,CoCoCo_2662374	593.717	HSNZFRXHMJLARG-SFHVURJKSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163250
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662637,PC-id_98141940	593.717	KJUSVHFLDXABAT-GOSISDBHSA-N	00000010101000110001000010000000000000000000000000000000	25-01-163251
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662638,PC-id_98141941	593.717	KJUSVHFLDXABAT-SFHVURJKSA-N	00000010101000110001000010000000000000000000000000000000	25-01-163252
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cccnc1	PC-id_58524094	593.74	NAHISGUFVDRIHK-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-163253
COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_408629395	594.056	AJTKOSQSHATMHE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163254
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3Cl)F)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-4006768391,CoCoCo_2661196,PC-id_3524004,EMOLS-id_22699938	594.121	UXNJPMSDBRTBPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163255
CC1(CCC(CC1)CC(=O)OC(C)(C)C)CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C(=C4)F)F)F)Cl	PC-id_164980919	594.211	OQGOFWLWJOPWFX-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163256
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740058	594.429	BXTLWZJWVSIJHO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163257
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740055	594.429	BXTLWZJWVSIJHO-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163258
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(nn(c4=O)Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	SCHEMBL4512092,PC-id_69073855	594.445	PBCZNQKDUXVUCY-NQCNTLBGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163259
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(nn(c4=O)Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_69073852,SCHEMBL4512088	594.445	PBCZNQKDUXVUCY-GOTSBHOMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163260
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nn(c4=O)Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_11606803	594.445	PBCZNQKDUXVUCY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163261
CCN(C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(c1sc2c(n1)CN(C2)C)O)NC(=O)C(=O)Nc1ccc(cn1)Br)C	PC-id_142197768	594.524	NJBKKENQNCTVJX-JVXWJNHNSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163262
CCOC(=O)C(c1cccc(c1)CN1CCn2c1c(C(=O)NC(c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F)(F)F	SCHEMBL18758598	594.53	HCJGUZULSGTBPR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163263
CCOC(=O)C(c1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F)(F)F	PC-id_138705443,SCHEMBL21081609	594.53	HCJGUZULSGTBPR-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163264
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(F)cccc1Br	PC-id_140883040	594.549	SSJPSVSHLUQZCB-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163265
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2cc(Br)ccc2F)cc1	BindingDB-id_722744,PC-id_145713314,BindingDB_PC-id_145713314	594.559	NEVKZWUPYBKKIE-LMKMVOKYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163266
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2cc(Br)ccc2F)cc1	BindingDB_PC-id_145713313,PC-id_145713313,BindingDB-id_722743	594.559	NEVKZWUPYBKKIE-CPJLOUKISA-N	00000010100000110001000010000000000000000000000000000000	25-01-163267
Cc1c(/c(=C/C2=NC(=Cc3c4CS(=O)(=O)Cc4c([nH]3)Br)C(=C2C)C)/[nH]c1=CC1=N[C@@](C(C1)(C)C)(C)C#N)C	PC-id_136834128	594.566	LYVQPIFGDGBZAT-BYLGNYPKSA-N	00000011100000000000000010000000000000000000000000000000	25-01-163268
Cc1c(/c(=C/C2=NC(=Cc3c4CS(=O)(=O)Cc4c([nH]3)Br)C(=C2C)C)/[nH]c1=CC1=N[C@](C(C1)(C)C)(C)C#N)C	PC-id_136834129	594.566	LYVQPIFGDGBZAT-XSTQSEQUSA-N	00000011100000000000000010000000000000000000000000000000	25-01-163269
COc1ccc(cc1)C(=O)CC1=Nc2n(C1=O)c(nn2)CCCCc1nnc2n1C(=O)C(=N2)CC(=O)c1ccc(cc1)OC	PC-id_5062746,SPECS-id_AT-225/NB51021	594.577	OZHZVIAWVSJIGT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163270
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCCOS(=O)(=O)C	PC-id_135360836,SCHEMBL20539256	594.603	DLSYRXYDQUENEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163271
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CCCOS(=O)(=O)C	PC-id_135361215,SCHEMBL20539681	594.603	UBBOBOIMCLLYHE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163272
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCCOS(=O)(=O)C	PC-id_135360835,SCHEMBL20539255	594.603	DLSYRXYDQUENEJ-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163273
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CCCOS(=O)(=O)C	PC-id_135361213,SCHEMBL20539679	594.603	UBBOBOIMCLLYHE-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163274
O(CCc1nc2n(N=C(C(C)(C)C)C2=NNc2n(nc(c2C#N)C)c2c(cccc2)C(=O)O)n1)c1ccc(NC(=O)C)cc1	PC-id_21026768	594.624	LEZXHPLERCWYLQ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163275
O(CCc1nc2n(N=C(C(C)(C)C)/C/2=N/Nc2n(nc(c2C#N)C)c2c(cccc2)C(=O)O)n1)c1ccc(NC(=O)C)cc1	PC-id_58619894	594.624	LEZXHPLERCWYLQ-NQUVTRGKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163276
C#CCCCC(=O)OCc1c(COC(=O)CCCC#C)cnc(c1OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)C	PC-id_140930746	594.654	ASHSTMBXAZCRHR-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-163277
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1)c1ccccc1	SCHEMBL1897900,PC-id_67204110	594.66	ZLUQEXHGCLNVEZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163278
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1)c1ccccc1	PC-id_67204109,SCHEMBL1897898	594.66	ZLUQEXHGCLNVEZ-GDLZYMKVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163279
CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccnc1	PC-id_57749839,SCHEMBL1373773	594.728	YIVUJZXWVNWPMD-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-163280
CC(C[C@@H](C(=O)N[C@@H](C(=O)N1Cc2c([C@H]1C(=O)N[C@H](C(=O)N(C)C)C(C)C)ccn2C)Cc1ccccc1)NC(=O)C)C	PC-id_101358575	594.745	LGEHNCZRCUACCA-XPCWZZLQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163281
s1c2c(CCC2)c(c1NC(=O)CSc1sc(SCC(=O)Nc2sc3c(CCC3)c2C(=O)N)nn1)C(=O)N	PC-id_5099046	594.773	FDPAZJDSQXIIFR-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-163282
COC(=O)c1c(NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)sc2c1CCC2	ZINC22_408619937	595.129	OUBPHSODHVPBOQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163283
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2ccccc2C)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-7349531573,PC-id_19119700	595.132	NSCLHIDXRUERGA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163284
c1(NC(=O)c2c(Cl)cnc(n2)S(=O)(=O)Cc2cccc(C)c2)sc2c(CCC2)c1C(=O)NCCc1ccccc1	MCULE-4267710974,PC-id_19119845	595.132	YZDKRXPHDPBTHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163285
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=NC3=C(S2)CN([C@@H]3C(C)C)[C@@](C)(CC4=CC=CC=C4C(F)(F)F)O	PC-id_148797948	595.179	ONLIQZFZYHHOML-XNMGPUDCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163286
CC1(CCC(CC1)CC(=O)OC(C)(C)C)NC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C(=C4)F)F)F)Cl	PC-id_147336839	595.206	DCSIFMPCNGWEQS-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163287
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(cccc1)C(F)(F)F)CC2=O	PC-id_11585410	595.271	UPLHNBDNFVMFJJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163288
CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)N[C@H](CN(C)C)C3CCOCC3)C(=N1)NC(=O)C4=CC=C(C=C4)NC(=O)C=C	PC-id_153631875	595.312	FFMZKZLXENPPMZ-HSZRJFAPSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163289
Cn1c2c(cn1)C(N(C2)C(=O)Nc1ccc(cc1)CI)C(=O)Nc1ccc(cc1)n1ccncc1=O	PC-id_89386155	595.392	IMDGWJVTAKUKCP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163290
ICc1ccc(cc1)NC(=O)N1Cc2c([C@@H]1C(=O)Nc1ccc(cc1)n1ccncc1=O)cnn2C	SCHEMBL14627677	595.392	IMDGWJVTAKUKCP-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163291
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(nn(c4=O)Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)cnc1	SCHEMBL4511644,PC-id_69073640	595.433	STOVDIMDEMFUTO-HMTLIYDFSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163292
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(nn(c4=O)Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)cnc1	SCHEMBL4511640,PC-id_69073637	595.433	STOVDIMDEMFUTO-VXKWHMMOSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163293
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nn(c4=O)Cc4ccccc4)CC3)C(=O)O)cc2)c(Cl)cnc1	PC-id_11577940	595.433	STOVDIMDEMFUTO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163294
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)ccc(Cl)c1	PC-id_20123107	595.561	PMYGOLVMTYZAFH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163295
CCOC(=O)n1c2c(CNC2(C)C)c(n1)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)N(CCOC)C(=O)C(F)(F)F	SCHEMBL1984180,PC-id_87319979	595.614	XJZHYMLIEZMTQG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163296
C=NN1CCN(C1=C)Cc1cccc(c1)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL18758552	595.615	JYZBZNHQJBMMAX-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-163297
S1C2N(C(=O)C2NC(=O)C(=NOC(C)(C)C(=O)O)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_25065854	595.652	ZNDHALFFRZAKSC-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-163298
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC(C)(C)C(=O)O)c2nc(sc2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_44468960	595.652	ZNDHALFFRZAKSC-CXAGYDPISA-O	00001010100011000001001010000000000000000000000000000000	25-01-163299
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661500,EMOLS-id_22700426,MCULE-2938993686,PC-id_4190354	595.69	MVDJJDFQAVDMMQ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163300
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_11051566,MCULE-4009756862,PC-id_4598361	595.69	IEYDDVYKFCZPFH-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163301
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662322,PC-id_97991693	595.69	IEYDDVYKFCZPFH-MRXNPFEDSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163302
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_97991694,CoCoCo_2662321	595.69	IEYDDVYKFCZPFH-INIZCTEOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163303
CN(C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1cnn(c1)C)C	SCHEMBL17878679,PC-id_121443970	595.695	JXAARQUSFCQGDJ-JXMROGBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163304
CC(C)[C@H]1c2c(CN1Cc1c(cc(cc1)F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCc1ccccc1	PC-id_134171029,SCHEMBL19772209	595.723	KDZYUGMAQBMGEG-PMERELPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163305
CC(C)[C@H]1c2c(CN1Cc1cc(c(cc1)F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCc1ccccc1	SCHEMBL19772109,PC-id_134170936	595.723	BJTCYWXIWKCVID-PMERELPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163306
CC1CN(CCN1NC(=Nc1cc(n[nH]c1=O)c1c(c(c(cc1)F)NC(=O)c1cc2c(s1)CC(C2(C)O)(C)C)C)C)C	SCHEMBL19981948,PC-id_134355530	595.731	OGMISVPQRORYAH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163307
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-2199876656,CoCoCo_2661804,PC-id_4109469,EMOLS-id_11051408	595.756	VSAWTAAEOQTYLN-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-163308
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1cccc(C)c1	MCULE-3899909970,PC-id_4175215,EMOLS-id_22701260	595.756	VSUXJYKLPWIROF-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163309
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2cccs2)n1c1cccc(C)c1C	CoCoCo_2661480,EMOLS-id_22700396,PC-id_4547210,MCULE-7636417301	595.756	SAPSCICAZNDRIH-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163310
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2cccs2)n1c1cc(C)ccc1C	PC-id_4446675,MCULE-7987471308,EMOLS-id_22700404,CoCoCo_2661484	595.756	WSDKHTPMCUDCGT-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163311
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2)sc2CCCc12	PC-id_4103811,EMOLS-id_22701238,MCULE-3765340366	595.756	LCPLFSCLWYMTMB-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-163312
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662254,PC-id_98359546	595.756	VSUXJYKLPWIROF-KRWDZBQOSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163313
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_98359545,CoCoCo_2662253	595.756	VSUXJYKLPWIROF-QGZVFWFLSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163314
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_98229403,CoCoCo_2662222	595.756	LCPLFSCLWYMTMB-QGZVFWFLSA-N	00000010100100110001000010000000000000000000000000000000	25-01-163315
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_98229404,CoCoCo_2662221	595.756	LCPLFSCLWYMTMB-KRWDZBQOSA-N	00000010100100110001000010000000000000000000000000000000	25-01-163316
COc1c(cc(cc1NS(=O)(=O)C)C(C)(C)C)NC(=O)c1ccc(c(c1)N(/C=C(/c1cnc2n1C(C)(C)CC2)N)N)C	PC-id_143110844	595.756	DYGPESQJNWHXNN-FXBPSFAMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163317
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)C(=O)O)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	SCHEMBL19772203,PC-id_134171023	595.773	PZAXHZVMZBSKFB-LJAQVGFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163318
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	CHEMBL602362,MCULE-1315254921,EMOLS-id_22700646,ChEMBL-DNDi_CHEMBL602362,PC-id_4248107,CoCoCo_2661635	595.776	HBFSBUPTXFDCQW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163319
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)Cc2ccccc2)n1C1CCCCC1	MCULE-5407707036,EMOLS-id_22701152,PC-id_4668246	595.776	SYLSTBCKOYNWAQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163320
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662098,PC-id_98229395	595.776	SYLSTBCKOYNWAQ-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163321
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	PC-id_98229396,CoCoCo_2662097	595.776	SYLSTBCKOYNWAQ-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-163322
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)O	PC-id_139790218	595.809	MTETWUWPGDKKDY-FSRLHOSWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163323
CCCCCCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817079	595.848	JUJJBKAKMDHYHT-RUZDIDTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-163324
CC(C1(CC=CC=C1)C(=O)O)NC(=O)C2=C3NCC(N3N=C2C(F)(F)F)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F	PC-id_150679703	596.147	JHPOGYGCEFZERH-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-163325
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(Cl)cccc1Cl)CC2=O	PC-id_11505299	596.163	LQGNFBZCSQOINT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163326
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(Cl)ccc(Cl)c1)CC2=O	PC-id_11520157	596.163	BCPQGUZSLCUWEF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163327
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(Cl)cc(Cl)cc1)CC2=O	PC-id_11606810	596.163	QYSMYVKDBCSFIT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163328
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(Cl)c(Cl)ccc1)CC2=O	PC-id_11527224	596.163	PRWFERSURXSEOP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163329
CCCNCCCN(C(=O)CNC(=O)CNC(=C)CNC(=O)CS)C(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3	PC-id_160505373	596.278	GXPFFNAKFQBKLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163330
O=CCCc1ccc(cc1C(F)(F)F)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL21081555,PC-id_138705392	596.521	NKRZLNPZRHTEQZ-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163331
O=CCCc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)OC)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	PC-id_138705364,SCHEMBL21081526	596.521	FZLGTLWFMIFJAU-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163332
CCOC(=O)n1c2c(CN(C2)C(=O)OC(C)(C)C)c(n1)NC(=O)c1c(cncc1)N(C1CCOCC1)C(=O)C(F)(F)F	PC-id_87235365,SCHEMBL1373994	596.556	BTMWMGSASYBFSQ-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163333
CCCCCCCCCCCCOC(=O)C1CCn2c1c(Br)cc2C(=O)c1ccccc1S(=O)(=O)OC	SCHEMBL11006439	596.573	CSGORWSPCLJMBJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163334
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)OCCOS(=O)(=O)C	PC-id_135361050,SCHEMBL20539499	596.575	BEABBHOFAOHKLB-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163335
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OCCOS(=O)(=O)C)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740056	596.575	BEABBHOFAOHKLB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163336
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1occc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947725	596.635	XFJWCWCOQBDUBK-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163337
S1C2N(C(=O)C2NC(=O)C(=NOC(C)(C)C(=O)O)c2nc(sn2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_25065853	596.64	QYIHDMWPRGJXGN-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-163338
S1[C@H]2N(C(=O)[C@H]2NC(=O)C(=NOC(C)(C)C(=O)O)c2nc(sn2)N)C(=C(SC2C[n+]3n(C2)cnc3)C1)C(=O)O	PC-id_44468959	596.64	QYIHDMWPRGJXGN-BDJLRTHQSA-O	00001010100011000001001010000000000000000000000000000000	25-01-163339
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(nn2C(=O)O)Nc1cc(ccc1)NC(=O)c1ccc(cc1)N)C	PC-id_137497909,SCHEMBL20741173	596.679	BZRQZHSROKWNMP-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163340
CC1(Cc2c(C1)[nH]c(c2)C(=O)Nc1c(c(ncc1)c1cn(c(=O)c(c1)Nc1ncc(cc1)NCCNC1COC1)C)C=O)C	SCHEMBL20281236,PC-id_135134865	596.679	XPIRBHKNVVVYQB-UHFFFAOYSA-N	00001010100000101000100010000000000000000000000000000000	25-01-163341
CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n(nc2Nc1cccc(c1)NC(=O)c1ccc(cc1)N)C(=O)O)C	SCHEMBL17872104,PC-id_121438508	596.679	BZRQZHSROKWNMP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163342
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)CNC1(CS(=O)(=O)C1)C)C)Cl	PC-id_134598965,SCHEMBL20252864	597.074	BRNWOMFRBCMPKJ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-163343
CC(C)(C)OC(=O)N1CC(NC(=O)[C@@H]([C@H]2CC2(C)C)N(CCc2nnc3n2CCC3)C(=O)/C=C/c2ccccc2Cl)C1	ZINC22_2325839639	597.148	ZVNHFBPEYPQHML-LPKBNIHUSA-N	00101010100000110001000010000000000000000000000000000000	25-01-163344
CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]([C@H]2CC2(C)C)N(CCc2nnc3n2CCC3)C(=O)/C=C/c2ccccc2Cl)C1	ZINC22_2325839640	597.148	ZVNHFBPEYPQHML-VCSCMVORSA-N	00101010100000110001000010000000000000000000000000000000	25-01-163345
Clc1ccc(/C=C/2SC(=S)N(CCCC(=O)Nc3sc4c(CCC4)c3C(=O)NCc3cccnc3)C2=O)cc1	PC-id_18884069	597.171	NVYSMAFCQRXWMH-HMAPJEAMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163346
N1(CCCC(=O)Nc2sc3c(CCC3)c2C(=O)NCc2cccnc2)C(=O)C(=Cc2ccc(cc2)Cl)SC1=S	MCULE-4199624263,PC-id_73468666	597.171	NVYSMAFCQRXWMH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163347
NC(=O)c1c(NC(=S)NC(=O)c2cc(I)ccc2I)sc2c1CCC2	ZINC22_109573304,PC-id_4504963	597.232	LOZRNHXTZHQSIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163348
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C(=O)OC	PC-id_4078125	597.553	OJAUJMPLSNUDGT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163349
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C(=O)OC	PC-id_9645665	597.553	OJAUJMPLSNUDGT-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163350
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OC	PC-id_4189034	597.553	CEACNDMTDVTYOT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163351
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OC	PC-id_9652195	597.553	CEACNDMTDVTYOT-XODNFHPESA-N	00000010100000110000000010000000000000000000000000000000	25-01-163352
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C(=O)OCC	PC-id_19660929	597.553	WAFFKKLRAXCKDJ-UVHMKAGCSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163353
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C(=O)OCC	PC-id_73635377	597.553	WAFFKKLRAXCKDJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163354
CC(c1ccc(cc1)C(=O)NSC1CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	PC-id_145296822	597.575	JGAWSZSQOBKPSE-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-163355
c1(NC(=O)CCCS(=O)(=O)c2nc(cc(c3ccccc3OC)n2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_17382008,MCULE-8788069399,EMOLS-id_7709576,CoCoCo_2005065,TIMTEC415723,ZINC22_98043146	597.626	QXJKXJPRVRJSDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163356
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1cccn1C)N(C)C	PC-id_67009833,SCHEMBL1373232	597.636	XGMYKOYFQSNLHU-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-163357
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661685,EMOLS-id_22700724,PC-id_5156468,MCULE-9323433570	597.656	YEIJUXNJGCSQBU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163358
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	PC-id_4218132,CoCoCo_2661546,EMOLS-id_22700492,MCULE-3448164284	597.656	GSNIYLLPBRWPGN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163359
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2cccs2)n1c1ccccc1OC	EMOLS-id_11051736,CoCoCo_2661456,MCULE-1893077426,CHEMBL585023,PC-id_3686515,ChEMBL-DNDi_CHEMBL585023	597.729	YBDIEKXARREZCG-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163360
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700824,CoCoCo_2661745,PC-id_5203344,MCULE-4736051477	597.749	ZIAHCFINGHMASC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163361
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	MCULE-5691301431,EMOLS-id_22699736,PC-id_4564797,CoCoCo_2661077	597.749	QWLBRWMVPGMJRR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163362
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	PC-id_3320819,CoCoCo_2661604,MCULE-6821010276,EMOLS-id_22700594	597.749	YQIKQQFDCSJUPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163363
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	PC-id_3407035,MCULE-7397037464,CoCoCo_2661382,EMOLS-id_22700246	597.749	ANJFDILZXDJCKR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163364
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)NC(C(COC)(C)C)c1ccccc1	PC-id_140817076	597.821	IWSJAMBDQBFHGM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163365
CCCNC(=O)CNC(=O)c1sc(c2c1CCC2)C(=C)CC(C(F)(F)F)(c1cc(Cl)c(c(c1)Cl)Cl)OC	PC-id_144474601	597.905	JMWFEEHANKBONL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163366
C12(CCC(C1(C)C)(C(Br)Br)C2Br)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	MCULE-4400704513,PC-id_5153933	598.186	BNONKCPOFVNRHR-UHFFFAOYSA-N	00001010100000000000001010000000000000000000000000000000	25-01-163367
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)I	SCHEMBL20538972,PC-id_135360613	598.356	AVIFZOGYSRVVJW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163368
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)I)C	PC-id_140931269	598.356	AALWHAHHKQVHTI-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163369
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)I)C	SCHEMBL18758498	598.356	AVIFZOGYSRVVJW-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163370
Brc1c(C(=O)Oc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)cccc1	PC-id_19661528	598.465	RZROUDIHOOYMQU-FJEPWZHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163371
Brc1c(C(=O)Oc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)cccc1	PC-id_73635960	598.465	RZROUDIHOOYMQU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163372
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)Cc1ccccc1I	SCHEMBL1983725,PC-id_24946608	598.479	UVMKUPHMKYIXNX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163373
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3Cl)Cl)n2C)sc2c(CCC2)c1C(=O)OCC	PC-id_5020387,MCULE-4158998452,CoCoCo_2661425,EMOLS-id_11051572	598.522	FCMUGPCZFJVBOT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163374
OCCCc1ccc(cc1C(F)(F)F)CN1CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)c(n2)C(F)(F)F	SCHEMBL21081556,PC-id_138705393	598.537	SBZVDIFNLXMRGV-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163375
OCCCc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)OC)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL21081525,PC-id_138705363	598.537	OUKGALYPHLKNLC-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163376
CCC(C)OC(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccccc1NC(=O)c1ccnn1C)occ2)C(=O)N(CC)c1ccccc1	SCHEMBL15153435,PC-id_89723975	598.629	TWZYSCYBPJGLHA-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-163377
CCN(c1ccccc1)C(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccccc1NC(=O)c1ccnn1C)occ2)C(=O)OC(C)(C)C	PC-id_89724007,SCHEMBL15153481	598.629	XFAMWFZUJNTZMW-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-163378
COc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1nccn1CC)CCOCC(=O)N1Cc2c(C1)c(nn2C)C(F)(F)F	SCHEMBL3473474,PC-id_68656126	598.638	FXDVMXCKFIQOJL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163379
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n(nc2Nc1cccc(c1)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O)C	SCHEMBL17872160,PC-id_121438560	598.652	MDAPODQKUZEHFQ-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163380
SCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCCCCNC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_141677125	598.714	SWLXUGGLSANRKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163381
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC1CCCN(C1)C(=O)c1ccc(cc1)NC(=O)C=C)C	SCHEMBL20741167,PC-id_137497903	598.738	YDZFRUUFFMVGSP-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163382
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C=C)C	SCHEMBL20741122,PC-id_137497866	598.738	MOOBVPAIRQVMOJ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163383
C=CC(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121444018,SCHEMBL17878780	598.738	ZHMKUVUJXDQROF-IQHZPMLTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163384
C=CC(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL18313496	598.738	DSGSKXWAZNVBGW-HHHXNRCGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163385
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121443954,SCHEMBL17878646	598.738	MOOBVPAIRQVMOJ-HHHXNRCGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163386
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCCC(C1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878676,PC-id_121443969	598.738	YDZFRUUFFMVGSP-ZCJYOONXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163387
C=CC(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL18313501	598.738	UUFDGUCRPVBWAB-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163388
CC(C)[C@H]1c2c(CN1CC1CN(C1)CC(F)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(C)C1CCC1	PC-id_134170857,SCHEMBL19772027	598.744	GREPEHIZYXCGMD-IHZSNKTASA-N	00001010100000110001000010000000000000000000000000000000	25-01-163389
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@H]1CCC(N(C1)C1CC1)C(F)(F)F	SCHEMBL19771991,PC-id_134170822	598.744	BDJWCIIXWIOOFR-ZNHZFFOWSA-N	00100010100010110001100010000000000000000000000000000000	25-01-163390
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)C[C@@H]1CCC(N(C1)C1CC1)C(F)(F)F	SCHEMBL19771992,PC-id_134170823	598.744	BDJWCIIXWIOOFR-YQFJPLGNSA-N	00100010100010110001100010000000000000000000000000000000	25-01-163391
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@@H](N(C1)C1CC1)C(F)(F)F	SCHEMBL18367863	598.744	BDJWCIIXWIOOFR-CNPGNWEMSA-N	00100010100010110001100010000000000000000000000000000000	25-01-163392
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CC[C@H](N(C1)C1CC1)C(F)(F)F	SCHEMBL18367864	598.744	BDJWCIIXWIOOFR-BLFHIAQRSA-N	00100010100010110001100010000000000000000000000000000000	25-01-163393
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@H]1CC[C@@H](N(C1)C1CC1)C(F)(F)F	SCHEMBL18367865	598.744	BDJWCIIXWIOOFR-RTGAMMJTSA-N	00100010100010110001100010000000000000000000000000000000	25-01-163394
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CC[C@H](N(C1)C1CC1)C(F)(F)F	SCHEMBL18367866	598.744	BDJWCIIXWIOOFR-CZZAQMAHSA-N	00100010100010110001100010000000000000000000000000000000	25-01-163395
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)C[C@@H]1CCC(N(C1)C1CC1)C(F)(F)F	SCHEMBL19771990,PC-id_134170821	598.744	BDJWCIIXWIOOFR-NADCCREVSA-N	00100010100010110001100010000000000000000000000000000000	25-01-163396
O(CCCCCCCCCCCCCCCC)c1ccc(NC(=O)c2nc3n(nc(c3C(=O)OC#CC#CC)C)c2=C)cc1	PC-id_60065459	598.775	TUVSSTLGEZYZNB-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-163397
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1sccc1	PC-id_58524074	598.78	OFKZNBDMNUYFPL-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-163398
CCCCCCCCCCCCCCCc1cccc(c1)OCCCC1=Nn2c(C1(Cc1ccccc1)C(=O)C)nc(n2)C	SCHEMBL11117074,PC-id_70517026	598.861	GGFXOOJIRDXDAZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163399
c1(NC(=O)c2cc(Br)cc(Br)c2I)sc2c(CCC2)c1C(=O)OCC	MCULE-6495599750,ZINC22_2145116,CoCoCo_6153475,PC-id_1797958,EMOLS-id_1669046,GD-id_ZINC02145116,SPECS-id_AN-465/40935040	599.075	ZTDSVFMOSASBKI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163400
O=C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)N=C(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_144505528	599.483	ICEYORWDYODXKJ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163401
c1(NC(=O)c2ccc(o2)S(=O)(=O)c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)NCCc1ccccc1	PC-id_24224106,MCULE-3981899064	599.516	DCUKZHTZMDJRTD-UHFFFAOYSA-N	00000010101000110000000010000000000000000000000000000000	25-01-163402
C=C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_89369987	599.526	MHVJVJXBJMBRLM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163403
C=C1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555767	599.526	MHVJVJXBJMBRLM-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163404
C=C(c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(C(=O)CC2)c(n1)C(F)(F)F)F)N	PC-id_90162803	599.526	GGWJOXGOVXBELY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163405
O=C(Cn1nc(c2c1CCC2=O)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=C)N)F)Cc1cc(F)cc(c1)F	SCHEMBL15724426	599.526	GGWJOXGOVXBELY-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163406
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)C1CCN(CC1)Cc1csc(n1)c1ccc(cc1)C(F)(F)F	PC-id_5278851,SCHEMBL2091139	599.624	SFCFYXNUONUCJZ-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163407
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)COc1ccc(cc1)C1CCN(CC1)Cc1csc(n1)c1ccc(cc1)C(F)(F)F	SCHEMBL2091141,PC-id_67274707	599.624	SFCFYXNUONUCJZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163408
CCC(C)OC(=O)N1c2c(C(N1)(C(=O)N(CC)c1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccnn1C)occ2	PC-id_89723973,SCHEMBL15153433	599.637	SHWJCEYQSIVADI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163409
CCN(c1ccccc1)C(=O)C1(c2c(cco2)N(N1)C(=O)OC(C)(C)C)NC(=O)c1ccccc1NC(=O)c1ccnn1C	SCHEMBL15153480,PC-id_89724006	599.637	KKMSBWCBJCMCAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163410
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1ccc(cc1)F	EMOLS-id_22701222,PC-id_4103815,MCULE-8611633989	599.72	QHIAZEGVBHPIHY-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163411
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662203,PC-id_98229398	599.72	QHIAZEGVBHPIHY-HNNXBMFYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163412
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662204,PC-id_98229397	599.72	QHIAZEGVBHPIHY-OAHLLOKOSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163413
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccccc2F)n1C1CCCCC1	PC-id_3638183,MCULE-5597895002,EMOLS-id_11051894	599.74	ZAIFTRCTJFZLPP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163414
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccccc2F)C)sc2c1CCC2	CoCoCo_2662547,PC-id_97991766	599.74	ZAIFTRCTJFZLPP-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163415
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccccc2F)C)sc2c1CCC2	CoCoCo_2662548,PC-id_97991765	599.74	ZAIFTRCTJFZLPP-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163416
c1(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3486187,EMOLS-id_22701100,MCULE-5792887068	599.765	FMXKQXCLZYSOEV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163417
CCCCn1c(CNC(=O)Cc2ccc(cc2)OC)nnc1S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229446,CoCoCo_2662032	599.765	FMXKQXCLZYSOEV-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163418
CCCCn1c(CNC(=O)Cc2ccc(cc2)OC)nnc1S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229447,CoCoCo_2662031	599.765	FMXKQXCLZYSOEV-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163419
CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccs1	PC-id_57749870,SCHEMBL1373041	599.768	WLAWYBZIYILOFT-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-163420
CCCCCCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537137	599.828	VPPULCIFWSOIFU-RUZDIDTESA-N	00001010100000110001000010000000000000000000000000000000	25-01-163421
CCCCCCCCCCCCCCCC1=Nc2n(/C/1=Nc1ccc(s1)N(CCCC)CC)nc(c2C(=O)OC)OC	SCHEMBL13237797,PC-id_59211552	599.871	RPXSNTPRXWVLTR-GXVXDJONSA-N	00000011100100000001000010000000000000000000000000000000	25-01-163422
s1c(N=C2n3nc(OC)c(c3N=C2CCCCCCCCCCCCCCC)C(=O)OC)ccc1N(CCCC)CC	PC-id_70862397	599.871	RPXSNTPRXWVLTR-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-163423
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1cccc(Cl)c1	MCULE-1727104030,PC-id_3438305,EMOLS-id_11051570	600.109	OGYQPOISFCMNPF-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163424
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662351,PC-id_97991696	600.109	OGYQPOISFCMNPF-HNNXBMFYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163425
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662352,PC-id_97991695	600.109	OGYQPOISFCMNPF-OAHLLOKOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163426
CC1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_153149180	600.196	WADITUMCJATWBS-LRTDYKAYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163427
CNC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CCC5)C(=N4)C(F)(F)F)F	PC-id_162048303	600.196	CWUPDATUCWBNFZ-LJQANCHMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163428
CC1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=N)N	PC-id_153190744	600.207	WHZPVTCHSUDASK-YKHFMZSMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163429
CCS(=O)(=O)C1=CC=C(C=C1)[C@H](COC)NC(=O)C2=CC3=C(S2)[C@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602980	600.23	HKWNHOBEGXNNCD-WLAPEFQNSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163430
CCS(=O)(=O)C1=CC=C(C=C1)[C@H](COC)NC(=O)C2=CC3=C(S2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602988	600.23	HKWNHOBEGXNNCD-LIACRMEXSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163431
CCS(=O)(=O)C1=CC=C(C=C1)[C@H](COC)NC(=O)C2=CC3=C(S2)C(N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602972	600.23	HKWNHOBEGXNNCD-SASBRVPGSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163432
CC1c2c([C@@H](N1Cc1ccc(cc1)Cl)C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	SCHEMBL19771907,PC-id_134170740	600.235	BFJDQEOTNPJDSA-TXMUIZFDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163433
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2n(CC[N+]2(Cc2cc(ccc2)I)[O-])nc1C(F)(F)F	PC-id_135361066,SCHEMBL20539515	600.329	HDEABGMJYJRAJZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163434
Ic1cccc(c1)C[N+]1([O-])CCn2c1c(C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)c(n2)C(F)(F)F	SCHEMBL18758572	600.329	HDEABGMJYJRAJZ-ZMGDOUPYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163435
Brc1cc(/C=C/C(=O)Nc2sc3c(C(CC3)C(=O)OC)c2C(=O)OC)cc(OC)c1OCc1ccccc1	PC-id_19191947	600.478	RIWZOGMYXYNEQH-FMIVXFBMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163436
c1(C(=O)OC)c2C(CCc2sc1NC(=O)C=Cc1cc(OC)c(c(Br)c1)OCc1ccccc1)C(=O)OC	MCULE-4063495856,PC-id_73562664	600.478	RIWZOGMYXYNEQH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163437
Brc1c(OCc2cc(ccc2)C)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_4116207	600.481	DPEYPOZHGAKQKJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163438
Brc1c(OCc2cc(ccc2)C)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9647867	600.481	DPEYPOZHGAKQKJ-VFLNYLIXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163439
Brc1c(OCc2ccccc2)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_5019059	600.481	KPGROQCLMSSFOF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163440
Brc1c(OCc2ccccc2)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9689002	600.481	KPGROQCLMSSFOF-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163441
OC(=O)c1c(N/N=C/C(=Nn3nc(nc23)Cc2ccc(cc2)C(=O)O)C(C)(C)C)n(nc1)c1c(c(ccc1)C(=O)O)C(=O)O	PC-id_21032594	600.539	GRJBFMRTIQOYKV-GTWSWNCMSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163442
OC(=O)c1c(NN=C2C(=Nn3nc(nc23)Cc2ccc(cc2)C(=O)O)C(C)(C)C)n(nc1)c1c(c(ccc1)C(=O)O)C(=O)O	PC-id_73735495	600.539	GRJBFMRTIQOYKV-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163443
N=Cc1cc(ccc1N)c1cccnc1C(Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1C(F)(F)C(C2)C)C(F)F	PC-id_144505047	600.557	RBDLRVUWPPCQNE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163444
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)N1CCN(CC1)Cc1csc(n1)c1ccc(cc1)C(F)(F)F	PC-id_5278854,SCHEMBL2090765	600.612	LNWIGKGASWYXNQ-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163445
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)COc1ccc(cc1)N1CCN(CC1)Cc1csc(n1)c1ccc(cc1)C(F)(F)F	PC-id_67274642,SCHEMBL2090770	600.612	LNWIGKGASWYXNQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163446
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2CCCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22701002,PC-id_4577196,MCULE-1909131493	600.71	NQWPCYWNGDKQLI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163447
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4075755,ZINC22_100817245,EMOLS-id_22699890,MCULE-3250159932,CoCoCo_2661170	600.71	WUUXGRMWXMTGSX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163448
CCCCn1c(nnc1CNC(=O)c1ccc(cc1)[N+](=O)[O-])S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2661907,PC-id_98141917	600.71	NQWPCYWNGDKQLI-MRXNPFEDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163449
CCCCn1c(nnc1CNC(=O)c1ccc(cc1)[N+](=O)[O-])S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2661908,PC-id_98141916	600.71	NQWPCYWNGDKQLI-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163450
CCN(c1ccccc1)C(=O)C1(c2c(N(N1)C(=O)OC1CCCC1)scc2)NC(=O)c1ccc(cc1)CN1CCCCC1	SCHEMBL15153297,PC-id_89723865	601.759	YPTDTBKOSTWTIF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163500
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCC(C)C)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524066	600.723	JPXKYRFITKWNNJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163451
C=CC(=O)OCCN(c1ccc(cc1)N=Nc1nc2c(s1)C=C(C2)N=Nc1ccc(cc1)CCOC(=O)C(CC)C)CC	PC-id_145746495	600.731	DTXPVQVNVPPYLG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163452
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(cc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)CC	SCHEMBL15153462,PC-id_89723994	600.751	WITDTALNRAQZSI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163453
CCN(c1ccccc1)C(=O)[N+]1(c2c(ccs2)C(=N1)NC(=O)c1ccc(cc1)CN1CCCCC1)C(=O)OC1CCCC1	SCHEMBL15153298,PC-id_89723866	600.751	PBJNXJDSDSGMNJ-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-163454
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)NC1CCCN(C1)C(c1ccc(cc1)NC(=O)C=C)O)C	PC-id_137509868,SCHEMBL20754723	600.754	RGQJGVUFJBYTFY-PNRKMPRMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163455
S(=O)(=O)(NCCN(c1cc(c(/N=C/c3n(N=C2CC)c(nn3)C(NS(=O)Oc2ccc(cc2)C)C)cc1)C)CC)C	PC-id_20725969	600.756	KINAFJTUORVCHC-XLVZBRSZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163456
CCCOCc1c(ccnc1N(C(=O)c1sc2c(c1C=C)CC(C2)(C)C)C)c1cc(Nc2cc(n(n2)C)C)c(=O)n(c1)C	SCHEMBL21018181,PC-id_138649814	600.774	QCRJDIQMEFOVGM-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-163457
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1c(Cn2cc(c3ccc(Cl)c(F)c3)nn2)nn2c1CCC2	ZINC22_2325835644	600.87	QPMDODGBZWWGBY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163458
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)CNC1(CS(=O)(=O)C1)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19900919,PC-id_134285208	601.038	GKVXOZCLWAOKFH-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-163459
C1CCOC(C1)OCCOC(C2=CC=CC=C2F)C(=O)N3CC4=CN(N=C4C3)S(=O)(=O)C5=NN(C=C5)CC(F)(F)F	PC-id_164931946	601.162	WDRNFYDKYAOPSI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163460
C[C@@H]1CCC2=C1N(N=C2C(F)(F)F)CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_153670252	601.191	XIRWIODYKAJJMZ-MYYSRTQBSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163461
CN1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_152964454	601.191	URFUGROQFONBSP-GOSISDBHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163462
C1CC(=O)c2c1c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	SCHEMBL15708732,PC-id_86719817	601.499	FUQMVXDMCRHOBN-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163463
C1CC(=O)c2c1c(nn2CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F)C(F)(F)F	PC-id_89350692,SCHEMBL14485111	601.499	WHDJSQYTKIMRPP-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163464
C1CC(=O)c2c1n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	SCHEMBL15708768,PC-id_86719889	601.499	RBCZTBXIWOPYGH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163465
C1CC(=O)c2c1n(nc2C(F)(F)F)CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F	SCHEMBL14484566,PC-id_89350613	601.499	XTYLZICOGFEKMP-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163466
C1C(=O)Cc2c1c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	SCHEMBL15708575,PC-id_89369890	601.499	MURIREULVCIUCF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163467
C1C(=O)C(c2c1[nH]nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_89350716	601.499	UASZRACCKNEOPP-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163468
O=C(CC1C(=O)Cc2c1c(n[nH]2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14485221	601.499	UASZRACCKNEOPP-BPARTEKVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163469
O=C(Cn1nc(c2c1CCC2=O)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14484565	601.499	RBCZTBXIWOPYGH-NRFANRHFSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163470
O=C(Cn1nc(c2c1CC(=O)C2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555469	601.499	MURIREULVCIUCF-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163471
O=C(Cn1nc(c2c1C(=O)CC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14485107	601.499	FUQMVXDMCRHOBN-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163472
CC1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(c1cc(F)cc(c1)F)Cc1ncccc1c1ccc(c(c1)C(=O)N)F	PC-id_118352890,SCHEMBL17060768	601.542	VFQNYLCLVBMOJR-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163473
CC1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL20358780,PC-id_89350653	601.542	UYGIDAXTJYLJKF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163474
CC1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555536	601.542	UYGIDAXTJYLJKF-YKHFMZSMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163475
CC1CCc2c1n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_89370045	601.542	XIRWIODYKAJJMZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163476
C[C@H]1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14484866	601.542	UYGIDAXTJYLJKF-FZADBTJQSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163477
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CCC2)c(n1)C(F)(F)F)F	PC-id_90162424	601.542	LOUIYXLQJXXWQT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163478
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c(c2CCCc2n1)C(F)(F)F)F	PC-id_90162435	601.542	XIGLGNWKDGUECO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163479
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CCC2)C(F)(F)F	SCHEMBL15724040	601.542	LOUIYXLQJXXWQT-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163480
CNC(=O)c1cc(ccc1F)c1cccnc1[C@@H](NC(=O)Cn1nc2c(c1C(F)(F)F)CCC2)Cc1cc(F)cc(c1)F	SCHEMBL15724051	601.542	XIGLGNWKDGUECO-VWLOTQADSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163481
Fc1cc(C[C@@H](c2ncccc2c2ccc(c(c2)C(=O)N)F)NC(=O)Cn2nc3c(c2C(F)(F)F)CCC3)c(c(c1)F)C	PC-id_144506034	601.542	HFTUYDXRWABIKE-VWLOTQADSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163482
s1c2[C@H]([C@H](OCOCc3ccccc3)Cc2nc1CCCCC(=O)OC)/C=C/C(OCOCc1ccccc1)CCCCC	PC-id_23254889	621.826	HJISDUZRKFCNDW-CFNZIXRKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164191
O=C(Cn1nc(c2c1[C@@H](C)CC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555934	601.542	XIRWIODYKAJJMZ-OWJWWREXSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163483
CCOC(=O)n1nc(c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C	SCHEMBL4283502,PC-id_57703875	601.607	QOAWBKQCHCMYGS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163484
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)C2CCOCC2)cc(N(C)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524078	601.665	LPSHNTNCANHHQB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163485
CC(CNc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)C	SCHEMBL1373476,PC-id_57749871	601.711	ZCBQPEWVZBDBBW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163486
CCCCOC(=O)[N+]1(N=C(c2c1cco2)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)NC(c1ccccc1)(C)C	SCHEMBL1434614,PC-id_67031160	601.716	HKXXDIFWJQGMOT-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-163487
CC(COC(=O)[N+]1(N=C(c2c1cco2)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)NC(c1ccccc1)(C)C)C	SCHEMBL1434772,PC-id_67031243	601.716	KNZMIPAHFDMSEP-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-163488
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]ccc2)cc(N2CCN(CC2)C)cc1)(C)C)c1ccccc1	PC-id_58524071	601.719	VLMWFCJAXDVRLQ-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-163489
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700680,CoCoCo_2661659,PC-id_4638662,MCULE-4602121554	601.737	KPAZRUOOWSLWST-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163490
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661222,MCULE-5411129264,EMOLS-id_22699986,PC-id_4069670	601.737	MPGJYNPEXQZUBC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163491
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C)CC	SCHEMBL1434304,PC-id_44519137	601.739	IXZXOPAHEWLSFF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163492
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)C)CC	SCHEMBL1893384,PC-id_44519135	601.739	YYFHWSFOLOAFOY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163493
CCCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030683,SCHEMBL1433750	601.739	MCWMMJNKLTTWSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163494
CCCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433749,PC-id_44518958	601.739	XTLYBXZDALUSDY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163495
CCC(OC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C	PC-id_67030691,SCHEMBL1433766	601.739	KOQPYWRXZVNMTJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163496
CCC(OC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C	SCHEMBL1433764,PC-id_44519136	601.739	KKRWBUVUIAWFOS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163497
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C	PC-id_67031006,SCHEMBL1434306	601.739	HTGSBTYRPASHNI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163498
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)C	PC-id_67202746,SCHEMBL1893386	601.739	JRXPROZOBPRERZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163499
CC(C)[C@H]1c2c(CN1CC1CCC(CC1)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCc1ccccc1	PC-id_134170738,SCHEMBL19771905	601.771	UKMSJZFZUWIUMD-LJAQVGFWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163501
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1F)CC(O)(C)C	PC-id_140817033	601.785	RYTDFSMVWMAIAH-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163502
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1cccc(c1)F)CC(O)(C)C	PC-id_140817095	601.785	TXFNCJCATLTSMW-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163503
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si-](C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1cccc(c1)F)CC(O)(C)C	PC-id_145072776	601.785	MZRPPHXNKJGMNT-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163504
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)NC(C(COC)(C)C)c1ccccc1	SCHEMBL19537326	601.8	WNJCATNDARBSIH-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163505
O(c1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(OCNCC(c1nc2n(n1)N=C(C2=Nc1ccc(N(C)C)cc1)C)C)C	PC-id_58996040	601.825	AKWRMRQUEKXCKX-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163506
CC(C)[C@H]1c2c(CN1CC1CCC(CC1)O)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(C)C1CCCCCC1	PC-id_134170985	601.863	ZVKUQOVFMFJPFJ-JFEZCFSWSA-N	00000010100010110101000010000000000000000000000000000000	25-01-163507
O[C@@H]1CC[C@H](CC1)CN1Cc2c([C@@H]1C(C)C)nc(s2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(C1CCCCCC1)C	SCHEMBL19772163	601.863	ZVKUQOVFMFJPFJ-FRVLTPJOSA-N	00000010100010110101000010000000000000000000000000000000	25-01-163508
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661472,MCULE-3986981554,EMOLS-id_22700382,PC-id_3407733	602.148	YOPBKSIBKYFBSR-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163509
C1CC2=C(C1O)N(N=C2C(F)(F)F)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_147208946	602.175	CEUYPTXLRCWIBN-SMFUYQKNSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163510
C1C(CC2=C1C(=NN2CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N)C(F)(F)F)O	PC-id_148700068	602.175	NVERGYNJYMTSSJ-DIAVIDTQSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163511
C=C(C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(C(=N4)C(F)F)C(CC5)(F)F)F)N	PC-id_161921946	602.192	RSGSXOXYYQVRRZ-LJQANCHMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163512
OCCC1CN([C@H](CN1C)C)C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(OCCI)ncc1F	SCHEMBL16882678,PC-id_118214187	602.444	NBIVAGYHFDNZSF-LSLKUGRBSA-N	00000010100010100001000010000000000000000000000000000000	25-01-163513
CN1Cc2c(C1)c(n(n2)CC(=O)NC(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F)C(F)(F)F	PC-id_86719787,SCHEMBL15708567	602.53	BQHLMGQOSWKCMP-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163514
CN1Cc2c(C1)c(n(n2)CC(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F)C(F)(F)F	SCHEMBL14484656	602.53	BQHLMGQOSWKCMP-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163515
CN1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL15708222,PC-id_89369988	602.53	PODRZHLDLODJEN-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163516
CN1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555770	602.53	PODRZHLDLODJEN-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163517
CN1Cc2c(n(nc2C1)CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F)C(F)(F)F	SCHEMBL14484658,PC-id_89350618	602.53	XFEPPMPYFMXLHZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163518
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CNC2)c(n1)C(F)(F)F)F	PC-id_90162511	602.53	AEGKQEPROWRXGZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163519
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c(c2CNCc2n1)C(F)(F)F)F	PC-id_90162476	602.53	FVDJZFKGQRBOSS-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163520
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CNC2)C(F)(F)F	SCHEMBL15724127	602.53	AEGKQEPROWRXGZ-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163521
CNC(=O)c1cc(ccc1F)c1cccnc1[C@@H](NC(=O)Cn1nc2c(c1C(F)(F)F)CNC2)Cc1cc(F)cc(c1)F	SCHEMBL15724092	602.53	FVDJZFKGQRBOSS-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163522
Fc1cc(cc(c1)F)CC(c1ncccc1c1ccc(c(c1)C(=O)N)F)CNC(=O)Cn1nc2c(c1C(F)(F)F)CNC2	PC-id_144505239	602.53	NELBALYGBIGSAM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163523
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(c(cc1C(=O)N)F)n1cccc1C(=O)O	PC-id_67009106,SCHEMBL1371526	602.542	QSPWOPPFCRPQBC-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-163524
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1c(ccc(c1F)n1cccc1C(=O)O)C(=O)N	PC-id_67008731,SCHEMBL1370476	602.542	OAUGPMKSHSLAAU-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-163525
CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1Cc2nc(oc2C1)C(=O)N1CCC(CC1)S(=O)(=O)N)C(F)(F)F	PC-id_153307469,BindingDB-id_992385	602.583	UHFDUFQUUBPJFF-UHFFFAOYSA-N	00000010100010101001000010000000000000000000000000000000	25-01-163526
Brc1c2n(CCC2C(=O)OCCCCCCCCCCCC)c(c1CC)C(=O)c1cc(ccc1)C(=O)OCC	SCHEMBL11007294,PC-id_20404990	602.599	CATOUCWKBYPJEF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163527
CCOC(=O)N1c2c(C(N1F)NC(=O)c1ccccc1NC(=O)c1cccn1C)oc(c2)C(=O)NC(C)(C)c1ccccc1	PC-id_89723860,SCHEMBL15153285	602.613	FEGWLFRINUSFQL-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-163528
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)N1CCN(CC1)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703891,SCHEMBL4291575	602.653	NRUZLHIGSMAJDP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163529
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)N1CCN(CC1)C)CN(C2(C)C)S(=O)(=O)c1cc(F)ccc1F	PC-id_68987849,SCHEMBL4287282	602.653	XXQXUPCPJYTICW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163530
O=C(C1CCOCC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N(C)C	SCHEMBL1370919,PC-id_16665524	602.653	ZOKKYOXYUBUWPY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163531
N#Cc1cc(F)ccc1N1CCC(CC1)CN([C@@H]([C@H](C(=O)N1Cc2c(C1)cnn2C)OC(=O)C)OC(=O)C)c1ccccc1	PC-id_143479135	602.656	BVMCEGXXNAAQOE-XDFJSJKPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163532
NCC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C	SCHEMBL4278085,PC-id_68983788	602.656	MUHOMPNGSRXSNV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163533
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1	SCHEMBL1372749,PC-id_57749859	602.707	URXLJZGDYFGVSW-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-163534
CN1CCC(CC1)c1ccc(nc1)Nc1cc(n[nH]c1=O)c1ccc(c(c1F)NC(=O)c1cc2c(s1)CC(C2O)(C)C)C	SCHEMBL9984161,PC-id_58540179	602.722	PPTOJSXFNQTUAH-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-163535
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(cc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCCOC	SCHEMBL15153263,PC-id_89723844	602.724	KPIBLRYVGGAFLH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163536
CCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030511,SCHEMBL1433462	602.724	KNDHIIDRHDJPTL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163537
CCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1433460,PC-id_67030509	602.724	KNDHIIDRHDJPTL-GDLZYMKVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163538
CCCCOC(=O)N1NC(c2c1cco2)(NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)NC(c1ccccc1)(C)C	PC-id_67031159,SCHEMBL1434612	602.724	STTWFQCXTLUYES-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163539
CC(COC(=O)N1NC(c2c1cco2)(NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)NC(c1ccccc1)(C)C)C	SCHEMBL1434770,PC-id_67031241	602.724	ZJUZSJSVXNEDBL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163540
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)C(F)F)sc(n2)C(=O)NCc1ncc(cc1)S(=O)(=O)CCC1CCCC1	SCHEMBL19772016,PC-id_134170846	602.759	KMFPKNMXTKSQIH-MHZLTWQESA-N	00000010100000111001000010000000000000000000000000000000	25-01-163541
CCN(c1ccccc1)C(=O)[N+]1(c2c(ccs2)C(=N1)NC(=O)c1ccc(cc1)CN1CCCCC1)C(=O)OCC(C)(C)C	PC-id_89723948,SCHEMBL15153396	602.767	VFQHJAIVHPWAOX-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-163542
CCCCCCCCOCc1nc2n(n1)/c(=Cc1ccc(cc1C)N(CC)CC)/c(c2C#N)S(=O)(=O)Nc1ccccc1	PC-id_59211672,SCHEMBL13237623	602.79	QENLLHXHECKZQR-SWKFRHMKSA-N	00000000100000110001000010000000000000000000000000000000	25-01-163543
S(=O)(=O)(Nc1ccccc1)c1c(=Cc2c(cc(N(CC)CC)cc2)C)n2nc(nc2c1C#N)COCCCCCCCC	PC-id_72531838	602.79	QENLLHXHECKZQR-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-163544
CCN(c1ccc(cc1)N=C1C(=C(c2n1nc(n2)C(C)(C)C)C#N)COOC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)CC	SCHEMBL13172031	602.853	IJYPQIBFKIRLLG-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-163545
O(OCC1=C(c2n(nc(n2)C(C)(C)C)/C/1=N/c1ccc(N(CC)CC)cc1)C#N)C1C(CC(CC1C(C)(C)C)C)C(C)(C)C	PC-id_57679271	602.853	IJYPQIBFKIRLLG-WAQNPYFYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-163546
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)CNC1(CS(C1)(O)O)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19900921,PC-id_134285210	603.053	BCKHLDWHONRDGY-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-163547
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)CNC1(CS(=O)(=O)C1)C)C(Nc1cc(c(cc1)F)Cl)O	SCHEMBL19920670,PC-id_134302952	603.053	JHEHINPJFRBKQQ-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-163548
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(OC(F)(F)F)cc4Cl)Cc3s2)nc1	PC-id_145713361,BindingDB_PC-id_145713361,BindingDB-id_722801	603.077	PBYJXJQXGYMQFC-HSZRJFAPSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163549
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1sc2c(n1)[C@@H](N(C2)Cc1ccc(c(c1)Cl)OC(F)(F)F)C(C)C	SCHEMBL18367977	603.077	DHROIYXYDOQMLV-QHCPKHFHSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163550
CCS(=O)(=O)c1ccc(nc1)CC(=O)Nc1sc2c(n1)C(N(C2)Cc1ccc(c(c1)Cl)OC(F)(F)F)C(C)C	PC-id_134170854,SCHEMBL19772024	603.077	DHROIYXYDOQMLV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163551
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC1)c1n[nH]c(n1)C)C(=O)Nc1cc(c(cc1)F)C1C[I-]1	PC-id_164016439	603.102	LARHWZYALUXQFY-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-163552
C1C2=C(CC1(F)F)N(N=C2C(F)F)CC(=O)N/C(=CC3=CC(=CC(=C3)F)F)/C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_153670250	603.151	RHAPKYAIGVYZLN-UYOCIXKTSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163553
Brc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=C)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	PC-id_145296889	603.354	POQIPBKLPLIYQL-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163554
C1Cc2c(C1O)c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	PC-id_86719891,SCHEMBL20359713	603.515	VJEYPYZSWFNQRW-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163555
C1Cc2c(C1O)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	SCHEMBL21226938,PC-id_89369945	603.515	IZAWRQYYLWFPGB-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163556
C1C(Cc2c1c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F)O	PC-id_89369872,SCHEMBL20358746	603.515	IIPCSWWLJVIJMR-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163557
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(COC2)c(n1)C(F)(F)F)F	PC-id_90162517	603.515	BHXMGTLBIIUHGC-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163558
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c(c2COCc2n1)C(F)(F)F)F	PC-id_90162471	603.515	WPRGCBYQUPGWAU-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163559
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1COC2)C(F)(F)F	SCHEMBL15724133	603.515	BHXMGTLBIIUHGC-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163560
CNC(=O)c1cc(ccc1F)c1cccnc1[C@@H](NC(=O)Cn1nc2c(c1C(F)(F)F)COC2)Cc1cc(F)cc(c1)F	SCHEMBL15724087	603.515	WPRGCBYQUPGWAU-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163561
OC1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555405	603.515	IIPCSWWLJVIJMR-IMMUGOHXSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163562
O=C(Cn1nc(c2c1CCC2O)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555538	603.515	VJEYPYZSWFNQRW-BBQAJUCSSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163563
O=C(Cn1nc(c2c1C(O)CC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555649	603.515	IZAWRQYYLWFPGB-NQCNTLBGSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163564
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NC(c1ccc(cc1)C(=O)NS(=O)(=O)C)C	SCHEMBL18740112	603.537	FGAHPKTWBLOGGV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163565
CCCCCCCOC(=O)[N+]1(c2c(ccs2)C(=N1)NC(=O)c1ccc(cc1)CN1CCCCC1)C(=O)N(CC)c1ccccc1	SCHEMBL15153489,PC-id_89724014	630.82	KOVIUIRSEVLYLO-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-164401
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)N[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)C	SCHEMBL18740109	603.537	FGAHPKTWBLOGGV-AWEZNQCLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163566
CNCC(=O)Nc1cc(ccc1C(=O)Nc1nn(c2c1CNC2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	PC-id_143531807	603.641	YVOSILUGGCZBKV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163567
CNCC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	PC-id_57703882,SCHEMBL4282616	603.641	BSQYEBUJOPUWKX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163568
COCCNc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C	PC-id_16665676,SCHEMBL1370784	603.684	CETGNJATEAIZNL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163569
COCC(Oc1cc(Oc2ccc(cc2)S(=O)(=O)C)cc(c1)C(=O)Nc1nc2c(s1)CN(C2)C(=O)OC(C)(C)C)C	PC-id_122417332,SCHEMBL17933926	603.707	ZSQSQCCPVNAMFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163570
COCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434245,PC-id_67030972	603.712	VEIINIMXWDQBPA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163571
COCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_44519475,SCHEMBL1434244	603.712	NUFBQWCLOMCPFE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163572
O=CN(c1nccc(c1COC(=O)C)c1cn(C)c(=O)c(c1)N/C(=C/C=C(/OC)N)/N)CCn1c(C)cc2c1CC(C2)(C)C	SCHEMBL21018904,PC-id_138650483	603.712	CNRVKCUMCBIUSB-JQMCJCOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-163573
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700650,PC-id_4604388,CoCoCo_2661637,MCULE-7673261797	603.755	VRCYWIAKXUNYOY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163574
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_3328243,EMOLS-id_22700904,CoCoCo_2661792,MCULE-5344451572	603.755	XENAAKKHTDZOOL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163575
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_4339867,EMOLS-id_22700906,MCULE-5278759075,CoCoCo_2661795	603.755	YWXDYFZKOZFHOQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163576
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)Cc2ccccc2)n1c1cccc(C)c1	EMOLS-id_22701154,MCULE-4051358195,PC-id_5056490	603.755	GAFBTPUYSGHRME-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163577
CCCCOC(=O)[N+]1(c2c(ccs2)C(=N1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)N(CC)c1ccccc1	PC-id_89723957,SCHEMBL15153409	603.755	HUCWKCPRGGRXAZ-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-163578
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(C)c3)n2Cc2ccccc2)sc2CCCc12	MCULE-1389211859,EMOLS-id_24429370,PC-id_4154186	603.755	RRQTVCNSCCBAPI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163579
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccccc3)n2Cc2ccccc2)sc2CCCc12	PC-id_4230299,EMOLS-id_22701136,MCULE-3181643406	603.755	VXSSYZCUDVTGPE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163580
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662101,PC-id_98229721	603.755	GAFBTPUYSGHRME-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163581
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662102,PC-id_98229722	603.755	GAFBTPUYSGHRME-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163582
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccc(c2)C)C)sc2c1CCC2	CoCoCo_2662055,PC-id_98229696	603.755	RRQTVCNSCCBAPI-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163583
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccc(c2)C)C)sc2c1CCC2	CoCoCo_2662056,PC-id_98229695	603.755	RRQTVCNSCCBAPI-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163584
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	PC-id_98229709,CoCoCo_2662082	603.755	VXSSYZCUDVTGPE-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163585
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	PC-id_98229710,CoCoCo_2662081	603.755	VXSSYZCUDVTGPE-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163586
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2c2cc(C)ccc2C)sc2CCCc12	CoCoCo_2661311,MCULE-5398984190,PC-id_4300216,EMOLS-id_22700126	603.755	QJYHSQDNJWNQRA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163587
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2c2cccc(C)c2C)sc2CCCc12	PC-id_4162959,CoCoCo_2661309,EMOLS-id_24429248,MCULE-4776300887	603.755	DLDZAPMSTFNQAV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163588
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(C)c3)n2Cc2ccccc2)sc2CCCc12	MCULE-1148283579,PC-id_5079081,EMOLS-id_22700632,CoCoCo_2661627	603.755	VBICZOCGEYWDRZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163589
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2cc(C)ccc2C)sc2CCCc12	EMOLS-id_22700196,CoCoCo_2661351,MCULE-6572843358,PC-id_4599405	603.755	VBPDCHYTFJYBSY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163590
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2cccc(C)c2C)sc2CCCc12	PC-id_4461889,MCULE-8595293526,EMOLS-id_22700192,CoCoCo_2661349	603.755	XCRUYNHYPBLWHO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163591
O=CN(/C=C(/c1ccnc(c1CO)N(CCn1c(C)cc2c1CC(C2)(C)C)C=O)C=C(N=C(C=C(/NC1COC1)C)/N)/C)C	PC-id_138650227,SCHEMBL21018626	603.755	VNRLODGXGCBZKK-SJLBXWEJSA-N	00001010100000101000000010000000000000000000000000000000	25-01-163592
CCN(c1ccccc1)C(=O)C1(c2c(N(N1)C(=O)OCC(C)(C)C)scc2)NC(=O)c1ccc(cc1)CN1CCCCC1	PC-id_89723945,SCHEMBL15153393	603.775	JTJVHYROAGFKTE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163593
CCCCCCCCOCc1nc2n(n1)/C(=Nc1ccc(cc1C)N(CC)CC)/C(=C2C#N)S(=O)(=O)Nc1ccccc1	SCHEMBL13237694	603.778	CNRPRNGANJDBCJ-YJKCNMNRSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163594
S(=O)(=O)(Nc1ccccc1)C1=C(c2n(nc(n2)COCCCCCCCC)C1=Nc1c(cc(N(CC)CC)cc1)C)C#N	PC-id_59211545	603.778	CNRPRNGANJDBCJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163595
CC[C@@H]1c2c(CN1Cc1ccc(cc1)OC(C)C)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCc1ccccc1	PC-id_134170803,SCHEMBL19771971	603.795	OISHONXHXUKSHB-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163596
CC(c1ccc(cc1)C(=O)NC1(CC1)C1=NC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)C(F)(F)F	PC-id_163585293	604.202	GKYYKEFMXMMEGJ-UHFFFAOYSA-N	00110010100000110001100010000000000000000000000000000000	25-01-163597
Brc1c(OCc2ccc(F)cc2)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_3430905	604.445	YTIKEGDPNBDRCT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163598
Brc1c(OCc2ccc(F)cc2)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9620450	604.445	YTIKEGDPNBDRCT-XKJRVUDJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163599
Clc1c(COc2c(OCC)cc(cc2)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_3250521	604.501	KHFPTNSANDXPQY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163600
Clc1c(COc2c(OCC)cc(cc2)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_9661355	604.501	KHFPTNSANDXPQY-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163601
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)ccc(Cl)c1	PC-id_4326285	604.501	MVXRPOHFPUBPAA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163602
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)ccc(Cl)c1	PC-id_9657755	604.501	MVXRPOHFPUBPAA-VWJSQJICSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163603
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)c(Cl)ccc1	PC-id_5114314	604.501	ITGWSKIQTFCVSZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163604
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)c(Cl)ccc1	PC-id_9608450	604.501	ITGWSKIQTFCVSZ-VWJSQJICSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163605
FC(F)(F)Oc1ccc(CC2N(CCN(C2)C(=O)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)[O-])cc1	PC-id_69635323,SCHEMBL6010781	604.511	VJHAVRBXFLNYRG-UHFFFAOYSA-M	00000010100010110001000010000000000000000000000000000000	25-01-163606
FC(F)(F)Oc1ccc(C[C@H]2N(CCN(C2)C(=O)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)[O-])cc1	PC-id_69635328,SCHEMBL6010784	604.511	VJHAVRBXFLNYRG-ICCFGIFFSA-M	00000010100010110001000010000000000000000000000000000000	25-01-163607
O=C(Cn1cc(c2c1CC(C2)(F)F)C(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL18373298	604.518	MGSWAYPMICPJCU-DEOSSOPVSA-N	00000010100000111000100010000000000000000000000000000000	25-01-163608
CO/C=N/C(=O)c1c(C)nn2c1N=C(/C/2=N/c1ccc(cc1C)N(CC)CC)C(=O)OC(C#CC#CC#CC(O)(O)O)(O)O	SCHEMBL13311478	604.567	XZJYFANJLYYSCH-AASYPAKBSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163609
O(C(=O)C1=Nc2n(nc(c2C(=O)/N=C/OC)C)C1=Nc1c(cc(N(CC)CC)cc1)C)C(O)(O)C#CC#CC#CC(O)(O)O	PC-id_59211529	604.567	XZJYFANJLYYSCH-RZGLJFCTSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163610
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)Nc1c(C)noc1C)OC(=O)C(F)(F)F	PC-id_68660969,SCHEMBL3485222	604.581	BVSBAJZBXASFKZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163611
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1N)N1CCOCC1)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371041,PC-id_57703890	604.626	CJBTYRUFQCXNSK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163612
COC(=O)/C=C(/S/C=C(/c1ccccc1)N1CCn2c(C(=O)c3ccccc3)c(C(=O)OC)c(C(=O)OC)c12)C(=O)OC	CoCoCo_5727407,ZINC22_104306270	604.627	WQYHLUMMWFVIAJ-ALQMATOSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163613
COC(=O)/C=C(/S/C=C(c1ccccc1)/N1CCn2c(C(=O)c3ccccc3)c(C(=O)OC)c(C(=O)OC)c12)C(=O)OC	CoCoCo_5727408,ZINC22_104306265	604.627	WQYHLUMMWFVIAJ-ZJAQEXCASA-N	00000010100000110001000010000000000000000000000000000000	25-01-163614
COC(=O)/C=C(S/C=C(c1ccccc1)/N1CCn2c(C(=O)c3ccccc3)c(C(=O)OC)c(C(=O)OC)c12)/C(=O)OC	CoCoCo_5727409,ZINC22_8665372	604.627	WQYHLUMMWFVIAJ-DGIKBKMMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163615
COC(=O)/C=C(S/C=C(/c1ccccc1)N1CCn2c(C(=O)c3ccccc3)c(C(=O)OC)c(C(=O)OC)c12)/C(=O)OC	NSC663245,CoCoCo_5727406,ZINC22_5940705	604.627	WQYHLUMMWFVIAJ-XGBWRMQCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163616
S(C=C(N1c2n(CC1)c(c(c2C(=O)OC)C(=O)OC)C(=O)c1ccccc1)c1ccccc1)C(=CC(=O)OC)C(=O)OC	PC-id_379070	604.627	WQYHLUMMWFVIAJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163617
S(/C=C(N1c2n(CC1)c(c(c2C(=O)OC)C(=O)OC)C(=O)c1ccccc1)/c1ccccc1)C(=CC(=O)OC)C(=O)OC	PC-id_5468047	604.627	WQYHLUMMWFVIAJ-AXQIURELSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163618
S(/C=C(/N1c2n(CC1)c(c(c2C(=O)OC)C(=O)OC)C(=O)c1ccccc1)c1ccccc1)C(=CC(=O)OC)C(=O)OC	PC-id_6477441	604.627	WQYHLUMMWFVIAJ-BEVXEDPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163619
Cc1ccc(C(=O)CC2=Nc3nnc(CCCCCCCc4nnc5n4C(=O)C(=N5)CC(=O)c4ccc(C)cc4)n3C2=O)cc1	NSC625853,ZINC22_5813554,CoCoCo_5683704,PC-id_362249	604.658	NDPWTKVYCANXMB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163620
CCOC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408614805	604.692	IGKVYRCZTUQRCW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163621
Fc1cccc(c1)S(=O)(=O)N1Cc2c(C1)c(n[nH]2)NC(=O)c1ccc(cc1)N1CCN(C(C1)COCc1ccccc1)C	SCHEMBL4293069,PC-id_68990583	604.695	BBYOHAIJJXVKPK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163622
CC(C)[C@H]1c2c(CN1Cc1cn(c(=O)cc1)C(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(C)C1CCC1	PC-id_134170867,SCHEMBL19772037	604.731	FENOLVJNCNFOAR-UEEDVJNSSA-N	00001010100000111001000010000000000000000000000000000000	25-01-163623
CCCCOC(=O)N1c2c(ccs2)C(N1)(C(=O)N(CC)c1ccccc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C	PC-id_89723955,SCHEMBL15153407	604.763	QVNGYDJXILZWIG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163624
Brc1sc(Br)c2c1C(NC1CC(=O)c3c1c(Br)sc3Br)CC2=O	PC-id_400223	604.957	RSNDTYCGNHCIDZ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163625
Brc1sc(c2c1[C@H](N[C@H]1CC(=O)c3c1c(Br)sc3Br)CC2=O)Br	CoCoCo_5778850	604.957	RSNDTYCGNHCIDZ-ZXZARUISSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163626
Brc1sc(c2c1[C@@H](N[C@H]1CC(=O)c3c1c(Br)sc3Br)CC2=O)Br	CoCoCo_5778851	604.957	RSNDTYCGNHCIDZ-IMJSIDKUSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163627
Brc1sc(c2c1[C@H](N[C@@H]1CC(=O)c3c1c(Br)sc3Br)CC2=O)Br	NSC711741,CoCoCo_5778852	604.957	RSNDTYCGNHCIDZ-QWWZWVQMSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163628
CC(=C(C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)N=Nc1cc(c(cc1)Cl)S(=O)(=O)Nc1ccc(cc1)OC)O	PC-id_135535480	605.082	UJYLCRDTFLQYHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163629
C/C(=C(/C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)N=Nc1cc(c(cc1)Cl)S(=O)(=O)Nc1ccc(cc1)OC)/O	PC-id_135802506	605.082	UJYLCRDTFLQYHF-UIANDJGDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163630
C/C(=C(C(=O)Nc1c(c2c(s1)CCC2)C(=O)OC)/N=Nc1cc(c(cc1)Cl)S(=O)(=O)Nc1ccc(cc1)OC)/O	PC-id_137178879	605.082	UJYLCRDTFLQYHF-FQNVBVIWSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163631
Clc1c(S(=O)(=O)Nc2ccc(OC)cc2)cc(NN=C(C(=O)Nc2sc3c(CCC3)c2C(=O)OC)C(=O)C)cc1	PC-id_4843934,MCULE-7488126960,EMOLS-id_300966134	605.082	CMUQRBCHCOYLFJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163632
COc1ccc(cc1)NS(=O)(=O)c1cc(N/N=C(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)/C(=O)C)ccc1Cl	CoCoCo_3692741	605.082	CMUQRBCHCOYLFJ-WMMMYUQOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163633
COC(=O)c1c(NC(=O)/C(=N/Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)/C(=O)C)sc2c1CCC2	CoCoCo_3692740,PC-id_6218049,ZINC22_97982629	605.082	CMUQRBCHCOYLFJ-JJKYIXSRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163634
CC(C)(C)OC(=O)CC1CCC(CC1)(CC(=O)C(=O)C2=C(C(=C3N2CCC3)C(=O)NC4=CC(=C(C(=C4)F)F)F)Cl)C#N	PC-id_165081266	605.19	VDXHCDMKDDFLDF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-163635
Brc1cc(CN2CCn3c2c(C(=O)NC(c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740107	605.327	RBTJEMMAUYJDNM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163636
Brc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)O)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18740106	605.327	RBTJEMMAUYJDNM-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163637
Brc1sc(Br)c2CN(Cc12)Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1	SCHEMBL9187313,PC-id_54141264	605.386	OBGQKAYGGSOWKZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163638
C1c2c(CC1(F)F)n(nc2C(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	SCHEMBL15708775,PC-id_86719795	605.506	JXIDAAOAJZHLKF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163639
O=C(Cn1nc(c2c1CC(C2)(F)F)C(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555608	605.506	JXIDAAOAJZHLKF-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163640
O=C(Cn1nc(c2c1C(F)(F)CC2)C(F)F)NC(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_144505748	605.506	AZEQTLARCMIEKV-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163641
FC(F)(F)Oc1ccc(CC2N(CCN(C2)C(=O)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)O)cc1	PC-id_69635324	605.519	VJHAVRBXFLNYRG-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163642
FC(F)(F)Oc1ccc(C[C@H]2N(CCN(C2)C(=O)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)C(=O)O)cc1	PC-id_69635329	605.519	VJHAVRBXFLNYRG-ICCFGIFFSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163643
FC(F)(F)Oc1ccc(COC(=O)N2CCN(CC2)C(=O)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_77712960	605.519	TYJGUUOBFUYYHB-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163644
FC(F)(F)Oc1ccc(COC(=O)N2CCN(CC2)C(=O)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL6010775,PC-id_69635317	605.519	TYJGUUOBFUYYHB-AREMUKBSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163645
O=C(Cn1nc(c2c1CCC2O)C(F)(F)F)N[C@H](C1=C(C=CCN1)c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_118357885,SCHEMBL17067136	605.531	SOFWKIRHVOHZRY-BBQAJUCSSA-N	00000010100011110001100010000000000000000000000000000000	25-01-163646
O=C(c1c2N(CCn2nc1C(F)(F)F)CC1CC=CC(=C1)C(F)(F)F)N[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)C	SCHEMBL18758726	605.553	IHIWNXXASSYQAA-MLCCFXAWSA-N	00000010100011110001000010000000000000000000000000000000	25-01-163647
C1c2c(CS1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_89351035,SCHEMBL14487556	605.554	JPCSOIJUZUNBMF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163648
C1c2c(n(nc2CS1)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	PC-id_89350583,SCHEMBL15708297	605.554	NEQXOQPZILDYAM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163649
C1c2c(n(nc2CS1)CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F)C(F)(F)F	SCHEMBL14484387,PC-id_89350584	605.554	DQYVNSQKFCLHSK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163650
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc2c(c1C(F)(F)F)CSC2	SCHEMBL14484386	605.554	NEQXOQPZILDYAM-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163651
O=C(Cn1nc(c2c1CSC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14487553	605.554	JPCSOIJUZUNBMF-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163652
CN(C1CCN(CC1)c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CCCOc1ccc(cc1)OC(F)(F)F	PC-id_67275536,SCHEMBL2095574	605.605	PCBGISKDVIUTOG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163653
CN(C1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])CCCOc1ccc(cc1)OC(F)(F)F	SCHEMBL2095569,PC-id_67275535	605.605	PCBGISKDVIUTOG-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163654
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3c(nnc23)C(CO)(C)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_21026764	605.647	CBJXVMOUQINHFP-KOEQRZSOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163655
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3c(nnc23)C(CO)(C)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_73734479	605.647	CBJXVMOUQINHFP-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163656
COC(=O)/C=C/1c2ccoc2[C@H]([C@]1(C[C@H](COCc1ccccc1)O)C(=O)OC)NC(=O)CCCCOCc1ccccc1	PC-id_102512655	605.675	NNCABJHFFSIDJE-NHHLXXJRSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163657
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661080,EMOLS-id_22699742,MCULE-1056267823,PC-id_3463416	605.728	NPWAKXUSFNIMGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163658
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661748,PC-id_4080105,MCULE-1384068888,EMOLS-id_22700830	605.728	HMVBGPXYJXAWCT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163659
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661607,EMOLS-id_22700600,MCULE-4352105572,PC-id_3320821	605.728	WATHKQJZQYTORF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163660
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_3259529,EMOLS-id_22700254,CoCoCo_2661386,MCULE-3339649885	605.728	UDPRDAAACAOEBZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163661
CCN(c1ccccc1)C(=O)[N+]1(c2c(ccs2)C(=N1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)C(=O)OCCOC	PC-id_89724028,SCHEMBL15153507	605.728	LCIKFRVDVVMTHH-UHFFFAOYSA-O	00000011100010110001000010000000000000000000000000000000	25-01-163662
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2Cc2ccccc2)sc2CCCc12	CoCoCo_2661733,MCULE-7131373455,PC-id_4143753,EMOLS-id_22700802	605.728	BEZVSDZBFVPHGL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163663
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2c2ccccc2OC)sc2CCCc12	PC-id_4194060,CoCoCo_2661295,EMOLS-id_22700106,MCULE-5092537194	605.728	GKFCZJOKGXAKDU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163664
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2Cc2ccccc2)sc2CCCc12	MCULE-1737294523,CoCoCo_2661592,EMOLS-id_22700574,PC-id_3429004	605.728	WSLFFPFLALUHRA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163665
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2Cc2ccccc2)sc2CCCc12	MCULE-3660397780,PC-id_4110738,CoCoCo_2661065,EMOLS-id_22699716	605.728	QDDFMGNLRQJOCL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163666
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2ccccc2OC)sc2CCCc12	CoCoCo_2661331,EMOLS-id_22700158,MCULE-8998194991,PC-id_3332979	605.728	KASOERWGMDHHIC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163667
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2Cc2ccccc2)sc2CCCc12	MCULE-5566747259,PC-id_4087215,CoCoCo_2661370,EMOLS-id_24429254	605.728	IQOYTYRQOPYYTK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163668
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)NC(c1cccc(c1)F)CC(O)(C)C	SCHEMBL19542105	605.764	SGPZUURSLSAPOY-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163669
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1cccc(c1)F)CC(O)(C)C	SCHEMBL19312184	605.764	SGPZUURSLSAPOY-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163670
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1F)CC(O)(C)C	SCHEMBL19537218	605.764	YZNBNESWXSQTAG-JOCHJYFZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163671
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)c1n[nH]nn1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC1CCCC1	PC-id_134170734,SCHEMBL19771901	605.774	PUXDLJKKRCFOHQ-NDEPHWFRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163672
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)C#N)sc(n2)NC(=O)Cc1ncc(cc1)S(=O)(=O)C(C)C1CCCCCC1	PC-id_134170858,SCHEMBL19772028	605.814	BNIORNKGEHSJSJ-NMBPHSMGSA-N	00000010100000111101000010000000000000000000000000000000	25-01-163673
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4231283,EMOLS-id_22700298,MCULE-2026711781,CoCoCo_2661414	606.156	JRCQYGIPUSUIFU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163674
CC(C)(C)C1=C(C2=NN=C(N2N1)NS(=O)(=O)C#CC#CC#CC#C)C=C3C(=NN4C3=NN=C4NS(=O)(=O)C)C(C)(C)C	PC-id_160747260,PC-id_89967866	606.158	VTQFSBFXPPYFLQ-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-163675
Brc1sc(Br)c2c1C(NC(=O)CN1CCN(CC1)Cc1c(Br)cccc1)CC2=O	PC-id_11541938	606.169	IFAIGZLLWKYGQY-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163676
Cc1ncc2n1C(=O)N(C2)CC1CCN(CC1)C(=O)C(C(C)(C)C)NC(=O)Nc1ccc(cc1)CI	PC-id_89363893	606.499	BBVPATQIVNBZDT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163677
ICc1ccc(cc1)NC(=O)N[C@H](C(C)(C)C)C(=O)N1CCC(CC1)CN1Cc2n(C1=O)c(nc2)C	SCHEMBL14541508	606.499	BBVPATQIVNBZDT-QFIPXVFZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163678
Clc1c(N(CCC#N)CCC#N)cc(Cl)c(/N=C/c3n(N=C2C)c(nn3)CCNC(=O)C(Oc2ccc(cc2)C)C)c1	PC-id_20725960	606.506	BSYXWTHMLYQJGV-ROMHNNFLSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163679
O=C(Cn1nc(c2c1COC2)C(=O)OC(=N)C)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_144505174	606.552	ZIVIKQMQDZDWBH-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163680
C=NCC1(CC1)NC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	PC-id_138705367,SCHEMBL21081529	606.562	ZJLZKIMIKYTSQF-KRWDZBQOSA-N	00100010100000110001000010000000000000000000000000000000	25-01-163681
C=NCC1(CC1)NC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18758633	606.562	ZJLZKIMIKYTSQF-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-163682
CCOC(=O)n1nc(c2c1CNC2S(=O)(=O)c1ccccc1)NC(=O)c1ccc(cc1C(F)(F)F)N1CCN(CC1)C	PC-id_68985944,SCHEMBL4283455	606.617	IMSWPFDJYOOACU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163683
CCOC(=O)n1nc(c2c1CN(C2)S(=O)(=O)c1ccccc1)NC(=O)c1ccc(cc1C(F)(F)F)N1CCN(CC1)C	SCHEMBL4283449,PC-id_57703880	606.617	QOTKLFDKITYNJV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163684
ClC1(Cl)c2n(nc(n2)C(CNC(=O)C(Oc2c(CC(C)(C)C)cc(CC(C)(C)C)cc2)CCCCCC)C)N=C1C	PC-id_9851782	606.67	FMJVSRIKALVPJQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163685
C#CC#CC#CC#CS(=O)(=O)Nc1nnc2n1nc(/c/2=C/c1c2[nH]nc(n2nc1C(C)(C)C)NS(=O)(=O)C)C(C)(C)C	SCHEMBL15471312	606.679	RTHIHNKTIWYTQW-VLGSPTGOSA-N	00000000100000000001000110000000000000000000000000000000	25-01-163686
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)Nc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)C=C)C	PC-id_137497861,SCHEMBL20741117	606.717	AVLOXJCCPGBYDS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163687
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)Nc1ccc(cc1)NC(=O)c1cc(ccc1)NC(=O)C=C)C	PC-id_137497910,SCHEMBL20741174	606.717	TULCSUGHXMJZTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163688
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)Nc1cc(ccc1)NC(=O)c1cc(ccc1)NC(=O)C=C)C	SCHEMBL20741119,PC-id_137497863	606.717	FSHHAFRVNAENTN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163689
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	PC-id_121438534,SCHEMBL17872131	606.717	VBYGXNURPHQSPG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163690
C=CC(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121443966,SCHEMBL17878665	606.717	FSHHAFRVNAENTN-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163691
C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878850,PC-id_121444080	606.717	TULCSUGHXMJZTO-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163692
C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)c2)cc1	EMOLS-id_337896057,PC-id_121444083,PD124914,MCULE-6630081934,CHEMBL4434871,SCHEMBL17878855,BindingDB-id_989364	606.717	VBYGXNURPHQSPG-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163693
C=CC(=O)Nc1ccc(C(=O)Nc2ccc(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)cc2)cc1	SCHEMBL18313535,BindingDB-id_989375,CHEMBL4467048	606.717	AVLOXJCCPGBYDS-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163694
CC(C)[C@H]1c2c(CN1Cc1cnc(cc1)C(F)(F)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CCC1CCC1	PC-id_134170881,SCHEMBL19772052	606.723	DGMAGTKDSSECDV-SANMLTNESA-N	00001010100000111001000010000000000000000000000000000000	25-01-163695
CCN(c1ccccc1)C(=O)C1(c2c(N(N1)C(=O)OCCOC)scc2)NC(=O)c1ccc(cc1)CN1CCN(CC1)C	PC-id_89724025,SCHEMBL15153504	606.736	GJXJPUXBVBGONR-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163696
s1c2CC(C(O)c2cc1C(=O)Nc1c(F)c(C2NNC(=O)C(Nc3ncc(C4CCN(CC4)C)cc3)C2)ccc1C)(C)C	PC-id_76817729	606.754	DELOPNWVQMMANW-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-163697
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(cc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCCCl	SCHEMBL15153291,PC-id_89723863	607.143	XZMIDHSEYQSAKQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163698
CC1(C2=C(CN1CC3=CC(=CC(=C3)F)F)C(=NN2)NC(=O)C4=CC=C(C=C4)N5CC[N+](CC5)(C)CC6=CC(=CC(=C6)F)F)C	PC-id_164615905	607.28	UADYTXPAHAZPHX-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-163699
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=N3)C(=O)N5CCN(CC5)C(=O)CNC(=O)OC(C)(C)C)C	PC-id_153600205	607.348	IALPMIPFJHJGGO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163700
CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Br)cc2)sc2c1CCC2	ZINC22_408616607	607.536	AQXRVEFGXUPMSR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163701
O=C(NC(c1cccc(c1)OC(F)(F)F)(c1cccc(c1)OC(F)(F)F)Cc1ccccc1)Nc1sc2c(n1)CCC2	PC-id_59458645,SCHEMBL759443	607.567	ILGOUDMWOAHQAO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163702
OCc1c(ccc(c1NC(=O)c1cc2c(s1)CC(C2O)(C)C)F)c1cc(Nc2nn(c(c2)CN2CCC2)C)c(=O)n(n1)C	PC-id_58540148,SCHEMBL9984057	607.699	YILIVWXREBBFJT-UHFFFAOYSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163703
O=C(N1Cc2c([nH]nc2CC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)CCCC(=O)c1c(=O)n(Cc2cccnc2)ccc1	PC-id_58499225	607.702	KASWDQVDDMBRMV-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-163704
S1C2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)C2NC(=O)C(=NOC(C)(C)C(=O)O)c1nc(sc1)N	PC-id_76025804	607.702	WYIARMHPCICTCR-UHFFFAOYSA-O	00001010100011000001001010000000000000000000000000000000	25-01-163705
S1[C@@H]2N(C(=C(C[N+]3(Cc4c(scc4)C3)C)C1)C(=O)O)C(=O)[C@H]2NC(=O)C(=NOC(C)(C)C(=O)O)c1nc(sc1)N	PC-id_53372252	607.702	WYIARMHPCICTCR-CBVHAAPLSA-O	00001010100011000001001010000000000000000000000000000000	25-01-163706
CC(C)[C@@H]1c2c(CN1Cc1ccc(cc1)OC(F)(F)F)sc(n2)NC(=O)Cc1cc(c(cc1)S(=O)(=O)C)C1CCC1	PC-id_134171046,SCHEMBL19772226	607.707	MVNDOFAYCKGBLL-HHHXNRCGSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163707
CC(C)[C@H]1c2c(CN1Cc1nnc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1cc(c(cc1)S(=O)(=O)C)C1CCCC1	SCHEMBL19771938,PC-id_134170770	607.711	TVPOZLVONMLSOP-SANMLTNESA-N	00000010100000110001100010000000000000000000000000000000	25-01-163708
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661825,MCULE-5437716010,PC-id_4362708,EMOLS-id_22700948	607.719	QJEOEMWRABFWNE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163709
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661623,PC-id_5079079,MCULE-8342040490,EMOLS-id_22700624	607.719	ZDUVRITWTKPBDK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163710
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-5950906525,EMOLS-id_22700928,CoCoCo_2661812,PC-id_4171192	607.719	ZZHLCFSZLBUKOP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163711
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccccc2F)n1c1cccc(C)c1	MCULE-2448227593,EMOLS-id_22701448,PC-id_4054452	607.719	QHOXAUNUOGLUJL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163712
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccc(C)c2)n1c1ccc(cc1)F	PC-id_4107706,EMOLS-id_22701112,MCULE-6650585052	607.719	FTMWXIWNVNXUDW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163713
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)Cc2ccccc2)n1c1ccc(cc1)F	MCULE-6261849057,PC-id_4251349,EMOLS-id_22701128	607.719	DDIWIYRBGWQEMR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163714
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3F)n2Cc2ccccc2)sc2CCCc12	MCULE-4345470824,EMOLS-id_11051796,PC-id_4069671	607.719	AEHRJZYVOCIQBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163715
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(F)c3)n2Cc2ccccc2)sc2CCCc12	MCULE-9790716658,PC-id_4441490,EMOLS-id_11051734	607.719	WGOCXDOZQDAMIY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163716
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_98229866,CoCoCo_2662551	607.719	QHOXAUNUOGLUJL-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163717
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_98229869,CoCoCo_2662552	607.719	QHOXAUNUOGLUJL-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163718
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccc(c2)C)C)sc2c1CCC2	PC-id_98229693,CoCoCo_2662052	607.719	FTMWXIWNVNXUDW-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163719
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccc(c2)C)C)sc2c1CCC2	PC-id_98229694,CoCoCo_2662051	607.719	FTMWXIWNVNXUDW-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163720
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662074,PC-id_98229706	607.719	DDIWIYRBGWQEMR-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163721
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	PC-id_98229705,CoCoCo_2662073	607.719	DDIWIYRBGWQEMR-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163722
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	CoCoCo_2662395,PC-id_97991742	607.719	WGOCXDOZQDAMIY-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163723
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	CoCoCo_2662396,PC-id_97991741	607.719	WGOCXDOZQDAMIY-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163724
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccccc2F)C)sc2c1CCC2	CoCoCo_2662534,PC-id_97991761	607.719	AEHRJZYVOCIQBV-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163725
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_97991762,CoCoCo_2662533	607.719	AEHRJZYVOCIQBV-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163726
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2cccc(C)c2C)sc2CCCc12	CoCoCo_2661713,PC-id_4356756,MCULE-8083764748,EMOLS-id_22700772	607.719	PBEOPFAMROJAQH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163727
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2cc(C)ccc2C)sc2CCCc12	PC-id_4198182,EMOLS-id_22700774,CoCoCo_2661715,MCULE-4636945297	607.719	GGTLVWCBXSMUCW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163728
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2cccc(C)c2C)sc2CCCc12	CoCoCo_2661572,PC-id_3258294,MCULE-6419808041,EMOLS-id_22700540	607.719	VGXPKJLYDBPCKD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163729
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2cc(C)ccc2C)sc2CCCc12	PC-id_3258295,EMOLS-id_22700544,CoCoCo_2661574,MCULE-7633722956	607.719	WRYQNQPGIFZNMV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163730
s1c2C(C(OCOCc3ccccc3)Cc2nc1CCCC(=O)OC)C=CC(OCOCc1ccccc1)CCCCC	PC-id_74035177	607.8	LTYYHBRQEILXLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163731
s1c2[C@H]([C@H](OCOCc3ccccc3)Cc2nc1CCCC(=O)OC)/C=C/C(OCOCc1ccccc1)CCCCC	PC-id_23254890	607.8	LTYYHBRQEILXLL-DEHNSWIESA-N	00000010100000110001000010000000000000000000000000000000	25-01-163732
COc1ccc([C@H](NC(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)c2ccccc2Cl)c(OC)c1	ZINC22_2325838170	607.944	HQSHJWAPIGPHMZ-HSZRJFAPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163733
COc1ccc([C@@H](NC(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)c2ccccc2Cl)c(OC)c1	ZINC22_2325838171	607.944	HQSHJWAPIGPHMZ-QHCPKHFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163734
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC22_408630178	608.083	OUSXRBIQDYKMTE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163735
ClCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434101,PC-id_67030899	608.131	ZHFRHXFYLOCEMU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163736
ClCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434100,PC-id_67030898	608.131	CQFWKPVUOOFYOS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163737
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3c(cccc3Cl)F)n2CCCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_24429360,PC-id_4599106,MCULE-6833898086	608.148	GVXMXDOFYYDCCQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163738
CCCCn1c(nnc1CNC(=O)c1c(F)cccc1Cl)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229255,CoCoCo_2661966	608.148	GVXMXDOFYYDCCQ-HNNXBMFYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163739
CCCCn1c(nnc1CNC(=O)c1c(F)cccc1Cl)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229256,CoCoCo_2661965	608.148	GVXMXDOFYYDCCQ-OAHLLOKOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163740
CC(C)[C@]1(c2c(CN1Cc1ccc(cc1)Cl)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCc1ccccc1)C	PC-id_134171019,SCHEMBL19772199	608.214	RFUYDOKPDDKSSD-YTTGMZPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163741
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)Nc1ccc(cc1)NC(c1ccc(cc1)NC(=O)C=C)O)C	PC-id_163784134	608.322	MRBYVNKVRFYQRI-MOFFZIGISA-N	00000010100000110001000010000000000000000000000000000000	25-01-163742
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	SCHEMBL21081553,PC-id_138705390	608.456	NXLWFBKBJSOSIR-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163743
SCC(=O)NCC(=O)NCC(=O)NCC(=O)C(CCCS(=O)(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)N	PC-id_141677107	634.724	VHRCXKYTJJBIMI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164497
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)N)CCC3)ccc1Cl	MCULE-7787679599,EMOLS-id_43759442,PC-id_16278055,CoCoCo_3023849,ZINC22_103078229	608.513	QTMOQNGUWZQLIQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163744
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(cc1)CCCOS(=O)(=O)C)C	PC-id_140931271	608.629	XOVZKUVIULLCJC-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163745
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCCOS(=O)(=O)C)C	SCHEMBL18758764	608.629	CXLPLIQTDVVPHJ-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163746
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CCCOS(=O)(=O)C)C	SCHEMBL18758655	608.629	CXLPLIQTDVVPHJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163747
COC(C(=O)N1Cc2c(C1)c(nn2C(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1	SCHEMBL1433626,PC-id_67030609	608.687	UXJFABXWSYMLHF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163748
CO[C@@H](C(=O)N1Cc2c(C1)c(nn2C(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1	SCHEMBL1433625,PC-id_67030608	608.687	UXJFABXWSYMLHF-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163749
CCOC(=O)N1c2c(cc(s2)C(=O)NC(C)(C)c2ccccc2)C(N1F)NC(=O)c1ccc(cc1)CN1CCN(CC1)C	PC-id_89723861,SCHEMBL15153288	608.727	WZLUMMQYNBOAIO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163750
CCC(C(C(=O)C(=O)N1CC(C1)C(=O)NCc1n[nH]c2c1CCC2)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C	PC-id_138480776,SCHEMBL20827868	608.728	NCYLUARPHXWBJW-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163751
CC[C@@H](C(C(=O)C(=O)N1CC(C1)C(=O)NCc1n[nH]c2c1CCC2)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)C	SCHEMBL20827976,PC-id_138480881	608.728	NCYLUARPHXWBJW-CIJMJAAZSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163752
CC(C)(C)OC(=O)NC(=Nc1c2N(CCn2nc1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C	SCHEMBL5499943,PC-id_135800732	608.73	LXJZDRQKECBBHL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163753
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(n[nH]2)Nc1cc(ccc1)NC(=O)c1cc(ccc1)NC(C=C)O)C	PC-id_137509639,SCHEMBL20754481	608.733	ZSCFYBRLUNGFJX-FICMROCWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163754
CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	SCHEMBL20741178,PC-id_137497914	608.733	XPYNKEOVRWOVNF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163755
CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878656,PC-id_121443961	608.733	XPYNKEOVRWOVNF-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163756
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2n(nc1C(CO[Si](C(C)(C)C)(C)C)(F)F)CCN2C(=O)OC(C)(C)C)C	PC-id_140931280	608.749	QUOWDGUETIPEBH-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163757
CC1(Cc2c(C1SO)cc(s2)C(=O)Nc1c(ccc(c1)/C(=C/C(=Nc1ncc(cc1)C1CCCN1C)C(=O)N)/N)F)C	PC-id_134355523	608.75	FJDPAJYUCBKZGV-FEJGZZTRSA-N	00000010100000111000100010000000000000000000000000000000	25-01-163758
OSC1c2cc(sc2CC1(C)C)C(=O)Nc1cc(ccc1F)C(=N)/C=C(C(=O)N)/Nc1ccc(cn1)C1CCCN1C	SCHEMBL19981938	608.75	IQOPXRLPPRPHTD-GKGMBXPCSA-N	00000010100000111000100010000000000000000000000000000000	25-01-163759
CC(C)[C@H]1c2c(CN1Cc1cc(=O)n(cc1)C1CC1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	PC-id_134170967,SCHEMBL19772140	608.814	FJGAXGWSPYQKMY-HKBQPEDESA-N	00100010100000111001100010000000000000000000000000000000	25-01-163760
CC(C)[C@H]1c2c(CN1Cc1cn(c(=O)cc1)C1CC1)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	PC-id_134170904,SCHEMBL19772076	608.814	DOUWYTDCFXFNQZ-HKBQPEDESA-N	00100010100000111001100010000000000000000000000000000000	25-01-163761
O(C(=N)C(CC(CC(CC)C)C(=O)NC(C)C)CC)CC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CCO)C)cc1)C)C)C	PC-id_60104294	608.818	HHVINLXKODSYFP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163762
CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2	ZINC22_408614021	609.111	ZSHIZRSPTYTBLY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163763
CCOC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2	ZINC22_408622263	609.155	BSBXQEBVJCOXHR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163764
C/C=CN=C([C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CCC2O)C(F)(F)F)C/C=C/C(=C(C=C)/F)/C(=O)N	PC-id_118357961	609.563	CLTHEGWQTLPJEC-BCIBYBEQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163765
C/C=CN=C([C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CCC2O)C(F)(F)F)/C/C=C/C(=C(C=C)/F)/C(=O)N	SCHEMBL17067215	609.563	CLTHEGWQTLPJEC-PDSZHSEPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163766
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C	PC-id_140763655	609.607	DOJUELUXQQDISY-NDEPHWFRSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163767
CCOC(=O)n1c2c(CNC2(C)C)c(n1)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)N(C(C)COC)C(=O)C(F)(F)F	PC-id_87320098	609.64	ZHIJHSMMZKLUPU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163768
CCOC(=O)n1c2c(CNC2(C)C)c(n1)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)N(CC(C)OC)C(=O)C(F)(F)F	PC-id_87579341	609.64	FTOVQEBRKRQRLI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163769
CCOC(=O)n1nc(c2c1C(C)(C)NC2)NC(=O)c1ccc(cc1N(C(=O)C(F)(F)F)C[C@@H](OC)C)N1CCN(CC1)C	SCHEMBL3813188	609.64	FTOVQEBRKRQRLI-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163770
COC[C@@H](N(C(=O)C(F)(F)F)c1cc(ccc1C(=O)Nc1nn(c2c1CNC2(C)C)C(=O)OCC)N1CCN(CC1)C)C	SCHEMBL1984945	609.64	ZHIJHSMMZKLUPU-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163771
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)CCNC(=O)c1cccn(c1=O)Cc1cccnc1	PC-id_44628732,SCHEMBL1317734	609.678	GBQJSHABWJGCPK-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-163772
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-5550726791,CoCoCo_2661770,PC-id_4461623,EMOLS-id_22700866	609.683	RBITWYQSNBBACO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163773
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700784,CoCoCo_2661723,PC-id_3677363,MCULE-9322337546	609.692	CFRSRUJUDUZVAZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163774
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	PC-id_3375256,EMOLS-id_22699694,MCULE-1601052284,CoCoCo_2661054	609.692	SLHJRPLCAIOTKH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163775
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661582,MCULE-9630820863,PC-id_3426395,EMOLS-id_22700554	609.692	PYLSURKCKAZWAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163776
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	PC-id_3661984,MCULE-5686582113,CoCoCo_2661360,EMOLS-id_22700206	609.692	LIDBLWIOIAXHJX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163777
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2ccccc2OC)sc2CCCc12	PC-id_4181951,EMOLS-id_22700744,CoCoCo_2661696,MCULE-1022045073	609.692	ZGAVREFWTBQYNO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163778
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2ccccc2OC)sc2CCCc12	CoCoCo_2661557,PC-id_4660399,EMOLS-id_22700512,MCULE-1514075047	609.692	VYRIETDQIVFTKG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163779
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1ccc(cc1)OCC	EMOLS-id_22701298,PC-id_5184123,MCULE-4062695118	609.716	XUCHUBGKAQETQZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163780
CCOc1ccc(cc1)n1c(nnc1CNC(=O)c1ccco1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662307,PC-id_98358820	609.716	XUCHUBGKAQETQZ-QGZVFWFLSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163781
CCOc1ccc(cc1)n1c(nnc1CNC(=O)c1ccco1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98358819,CoCoCo_2662308	609.716	XUCHUBGKAQETQZ-KRWDZBQOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163782
CC(C)CC(C(=O)NC1CCCCC1(CCCC(=O)OC(C)C)O)NC(=O)C(Cc1ccccc1)C1C(=O)n2ccnc2N1	PC-id_136419992,SCHEMBL7383990	609.756	KXDVTNKAWJFQFU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163783
CC(C)CC(C(=O)NC(CC1CCCCC1)C(C(=O)OC(C)C)O)NC(=O)C(Cc1ccccc1)C1C(=O)n2ccnc2N1	SCHEMBL7334520,PC-id_136446065	609.756	XMRCCNPQBSOFMC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163784
CC(C)CC(NC(=O)[C@H](Cc1ccccc1)N1Cc2nccn2C1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C	PC-id_44380166,CHEMBL354179	609.756	IRTWCXZTUXVAOO-IRMSVDJDSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163785
OC(C(NC(=O)C(NC(=O)C(N1Cc2n(C1=O)ccn2)Cc1ccccc1)CC(C)C)CC1CCCCC1)C(=O)OC(C)C	PC-id_75006031	609.756	IRTWCXZTUXVAOO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163786
Cc1c(c(c(cc1)C1=CC(=NC2CNN(C(=C2)CN2CCC2)C)C(N(N1)C)O)F)NC(=O)c1cc2c(s1)CC(C2O)(C)C	PC-id_137315496	609.758	DMXGMXBCJGBZFK-UHFFFAOYSA-N	00001010100011110001100010000000000000000000000000000000	25-01-163787
CN1N=C(C=C(C1O)NC1CNN(C(=C1)CN1CCC1)C)c1ccc(c(c1F)NC(=O)c1cc2c(s1)CC(C2O)(C)C)C	SCHEMBL19981717	609.758	OOICSOCFTDQRTD-UHFFFAOYSA-N	00001010100011110001100010000000000000000000000000000000	25-01-163788
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-6317293365,PC-id_4233074,EMOLS-id_11052050	609.783	MCHAFVIZZVPPIW-UHFFFAOYSA-N	00000010100100110001000010000000000000000000000000000000	25-01-163789
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2c2cc(C)ccc2C)sc2CCCc12	EMOLS-id_22701282,MCULE-7979187652,PC-id_3701101	609.783	WAGGCLNQKZHBMT-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163790
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2c2cccc(C)c2C)sc2CCCc12	MCULE-2430379769,EMOLS-id_22701276,PC-id_3447087	609.783	YFWHZOSCBCLOAG-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163791
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2C)C)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662272,PC-id_98359561	609.783	YFWHZOSCBCLOAG-SFHVURJKSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163792
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2C)C)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_98359559,CoCoCo_2662271	609.783	YFWHZOSCBCLOAG-GOSISDBHSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163793
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662278,PC-id_98229482	609.783	WAGGCLNQKZHBMT-SFHVURJKSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163794
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_98229481,CoCoCo_2662277	609.783	WAGGCLNQKZHBMT-GOSISDBHSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163795
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662629,PC-id_97991772	609.783	MCHAFVIZZVPPIW-SFHVURJKSA-N	00000010100100110001000010000000000000000000000000000000	25-01-163796
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_97991771,CoCoCo_2662630	609.783	MCHAFVIZZVPPIW-GOSISDBHSA-N	00000010100100110001000010000000000000000000000000000000	25-01-163797
Cc1nn(C)c(Cl)c1c1cn(Cc2nn3c(c2C(=O)N(C)Cc2ccc(c4ccc(Br)cc4)o2)CCC3)nn1	ZINC22_2325836103	609.905	CRQCVQHXDIKEAE-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163798
CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2	ZINC22_2325847912	609.935	VNKSBEDKJYJTCN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163799
Cc1ccc(C(=O)c2c(NC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3Cl)sc3c2CCC3)c(Br)c1	ZINC22_2325832378	609.983	GHHKHQVCZJDBBW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163800
ClCC(C1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC2CCCCO2)C)CC1)OC(=O)O	PC-id_118368900,SCHEMBL17080631	610.076	QDTMFQPUPRPDET-AJEPASEPSA-N	00100010100010000001000010000000000000000000000000000000	25-01-163801
ClCOC(=O)OCC1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC2CCCCO2)C)CC1	SCHEMBL17080630,PC-id_118368899	610.076	ZAOGCTHVHGUKME-ZWAGFTRDSA-N	00100010100010000001000010000000000000000000000000000000	25-01-163802
OC(=O)OC(C1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC2CCCCO2)C)CC1)(Cl)C	PC-id_118368898,SCHEMBL17080629	610.076	ZSZRPKCYKDSJJP-DKEBNAFJSA-N	00100010100010000001000010000000000000000000000000000000	25-01-163803
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-4820489172,CoCoCo_2661307,PC-id_4411375,EMOLS-id_22700120	610.147	PCJYPQXWFCNSMT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163804
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661344,PC-id_3570559,MCULE-4621231147,EMOLS-id_22700182	610.147	ZCZIHOSXCRGYGF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163805
CC(C1CC=C(C=C1)C(NC2(CC2)C3=NC3)O)NC(=O)C4=C5N(CCN5N=C4C(F)(F)F)CC6=CC=CC(C6)C(F)(F)F	PC-id_149589602	610.249	ZXQMJLPUMSXQRM-UHFFFAOYSA-N	00110010100011000001100010000000000000000000000000000000	25-01-163806
B1(C2=C(C(O1)(C)C)N=C(S2)CC(=O)[C@@H](CC3=CC=C(C=C3)C(F)(F)F)NC(=O)[C@H](CCC(=O)N(CCN)CCN)N)C	PC-id_161242698	610.272	MZMVHVBRZKCXPI-RBUKOAKNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163807
COc1ccc(c2cn(Cc3nn4c(c3C(=O)NCc3ncc(c5cccc(Br)c5)o3)CCC4)nn2)c(F)c1F	ZINC22_2325835706	610.409	RRYJWZBHKVBDBU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163808
CCOC(=O)n1nc(c2c1CN(C2)Cc1ccc(cc1)Cn1ccccc1=O)NCc1c(Br)ccc(c1F)OC	SCHEMBL17221632,PC-id_118482452	610.474	LXYYYVWYHQJAMD-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163809
CCOC(=O)c1c(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	ZINC22_408618574	610.484	KDSFMIXSCXXGSM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163810
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3Cl)Cl)n2CCCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661143,PC-id_3665000,EMOLS-id_22699840,MCULE-3569363565	610.576	LGBWDDHWZYJQMD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163811
FC(F)(F)C(=O)On1nc(NC(=O)c2ccc(N3CCN(CC3)C)cc2)c2c1C(N(C2)C(=O)Nc1c(cccc1)C#N)(C)C	PC-id_67236715,SCHEMBL1982775	610.587	UTMMFEFJSNPSRN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163812
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OCCOS(=O)(=O)C)C	SCHEMBL18758472	610.602	IUAWISZRACDPKN-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163813
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OCCOS(=O)(=O)C)C	PC-id_145296813	610.602	IUAWISZRACDPKN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163814
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)COCCOS(=O)(=O)C)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740186	610.602	CNJZMSANBAGJCT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163815
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)COCCOS(=O)(=O)C)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740184	610.602	CNJZMSANBAGJCT-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163816
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1occc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947676	610.661	NVYBVXNIXCMRHV-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-163817
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_140963660	610.663	XFHMABGQWUMZAK-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163818
c1(NC(=O)c2cc(ccc2N2CCN(CC2)C(c2ccccc2)c2ccccc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_30321919,MCULE-3636583513,STOCK7S-69959,ZINC22_102439594,PC-id_3981358	610.723	MTGQKOUIIMHRPT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163819
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cccc(F)c1	PC-id_58524101	610.743	KJCCQTDPBZEJSO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163820
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1c(F)cccc1	PC-id_58524040	610.743	VUDHZGSOINLXBQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163821
CC1(Cc2c(C1NC)cc(s2)[S@](=O)Nc1c(ccc(c1)c1nn(c(=O)c(c1)Nc1nn(c(c1)CN1CCC1)C)C)F)C	SCHEMBL19981576,PC-id_134355210	610.769	VQROZDGQRLRFPP-IUYVFTKPSA-N	00001010100000110001100010000000000000000000000000000000	25-01-163822
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Br	PC-id_140882963	611.003	NDFDJKZHARKBIM-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-163823
SCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCCS(=O)(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_141677127	634.724	DANXUIPWQHNLPW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164498
Cc1c(cc(cc1)NC(=O)c1c(c(c2n1CCC2)C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC1(CS(=O)(=O)C1)C)C)Cl	SCHEMBL20252900,PC-id_134598999	611.057	MAFFYVPBKZVOEE-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-163824
CC1(c2c(CN1C(=O)O)c(nn2C(=O)O)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)N(CCOC)C(=O)C(F)(F)F)C	PC-id_91464185	611.57	BIYGPCDPXKBKPW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163825
s1c2c(CCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OCC	PC-id_4983323	611.58	UPUCZXDJSUQYIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163826
s1c2c(CCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OCC	PC-id_9687634	611.58	UPUCZXDJSUQYIN-IPPBACCNSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163827
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])S[C@H]1C[C@H](N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])CN1CCc2n1ccn2)O	SCHEMBL9461608,PC-id_67856444	611.646	LACGLTGLAQBFEI-JKHKLWCOSA-M	00001011100000110001001010000000000000000000000000000000	25-01-163828
O=C(N1C[C@H](C[C@H]1CN1CCn2c1ccn2)SC1=C(C(=O)[O-])N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9461610,PC-id_67856446	611.646	VNMVYEITXVTRMH-JKHKLWCOSA-M	00001011100000110001001010000000000000000000000000000000	25-01-163829
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)[O-])C1CC(N(C1)C(=O)OCc1ccc([N+](=O)[O-])cc1)CN1CCn2nccc12	PC-id_77367456	611.646	VNMVYEITXVTRMH-UHFFFAOYSA-M	00001011100000110001001010000000000000000000000000000000	25-01-163830
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)[O-])C1CC(N(C1)C(=O)OCc1ccc([N+](=O)[O-])cc1)CN1n2c(ncc2)CC1	PC-id_77367454	611.646	LACGLTGLAQBFEI-UHFFFAOYSA-M	00001011100000110001001010000000000000000000000000000000	25-01-163831
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccccc2F)n1c1ccc(cc1)F	EMOLS-id_22701434,MCULE-4312547882,PC-id_3259073	611.683	POKSZIGDVFVIPV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163832
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccc(F)c2)n1c1ccc(cc1)F	MCULE-5072871547,PC-id_4430347,EMOLS-id_22701338	611.683	SWYDGLNYRQSUJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163833
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	CoCoCo_2662387,PC-id_98229803	611.683	SWYDGLNYRQSUJQ-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163834
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccccc2F)C)sc2c1CCC2	CoCoCo_2662526,PC-id_98229851	611.683	POKSZIGDVFVIPV-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163835
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	PC-id_98229802,CoCoCo_2662388	611.683	SWYDGLNYRQSUJQ-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163836
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_98229852,CoCoCo_2662525	611.683	POKSZIGDVFVIPV-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163837
CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1F	PC-id_57749847,SCHEMBL1374551	611.731	TUPLWIXNYQKVIB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163838
CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	SCHEMBL1373239,PC-id_16665603	611.731	PIOCGXDASBGAOU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163839
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-7519660752,PC-id_5136322,EMOLS-id_22700342,CoCoCo_2661444	611.755	OALVVDBUEUNJAZ-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163840
CCN(C(=O)OC(C)(C)C)CCN(C(=O)CNc1cc(ccc1C)c1noc(n1)C)CC(=O)N(N1Cc2c(C1)ccs2)C	SCHEMBL1029093,PC-id_66882279	611.755	VDZGAUSVLIXRHY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163841
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2c2ccccc2OC)sc2CCCc12	MCULE-9350695603,EMOLS-id_22701244,PC-id_4461689	611.755	AEEQJWLHVCTKGA-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163842
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662229,PC-id_98229417	611.755	AEEQJWLHVCTKGA-MRXNPFEDSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163843
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_98229418,CoCoCo_2662230	611.755	AEEQJWLHVCTKGA-INIZCTEOSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163844
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661266,MCULE-6546069014,PC-id_4118850,EMOLS-id_22700056	611.775	WHJIKGXUVGWNON-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163845
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)OC)n1C1CCCCC1	EMOLS-id_22700978,MCULE-3285794893,PC-id_3385604	611.775	LEXLGBKQGGYPLI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163846
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccc(OC)c2)n1C1CCCCC1	MCULE-1172741603,EMOLS-id_24429406,PC-id_3424965	611.775	AWCXZSSGPJNAIF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163847
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)COc2ccccc2)n1C1CCCCC1	EMOLS-id_22701186,MCULE-6889551315,PC-id_4174090	611.775	LEMHPMDNZWDCKY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163848
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2661869,PC-id_98229245	611.775	LEXLGBKQGGYPLI-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163849
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2661870,PC-id_98229246	611.775	LEXLGBKQGGYPLI-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163850
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	PC-id_98358991,CoCoCo_2662445	611.775	AWCXZSSGPJNAIF-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163851
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	PC-id_98358992,CoCoCo_2662446	611.775	AWCXZSSGPJNAIF-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163852
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662145,PC-id_98229736	611.775	LEMHPMDNZWDCKY-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-163853
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_98229735,CoCoCo_2662146	611.775	LEMHPMDNZWDCKY-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163854
S(c1n(C2CCCCC2)c(nn1)CNC(=O)c1c(OC)cccc1)C(C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C	PC-id_23736154	611.775	PUTNNZMSGHNTCM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163855
CCc1cc(Oc2ccc(F)cc2[C@@H]2C(=C(C)N(C)C(=O)N2C)C(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1Cl	ZINC22_2325837340	612.111	JWVFTYLTWIWFIL-HHHXNRCGSA-N	00000010100011110001100010000000000000000000000000000000	25-01-163856
CCc1cc(Oc2ccc(F)cc2[C@H]2C(=C(C)N(C)C(=O)N2C)C(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1Cl	ZINC22_2325837341	612.111	JWVFTYLTWIWFIL-MHZLTWQESA-N	00000010100011110001100010000000000000000000000000000000	25-01-163857
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC1(CS(=C)(=O)C1)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_163977798	612.142	SVSAOZPHNLQUGP-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-163858
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC(C3)(F)F)C(=O)N4CCS(=C)(=O)CC4)C(=O)NC5=CC(=C(C=C5)F)Cl	PC-id_148505907	612.142	MLOMOHLMQSSZBV-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-163859
C/C=C/C(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942144	612.354	FWYJQARJRULXGQ-DAWNLIMQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163860
C/C=C/C(=O)NC1=CC=C(C=C1)N2CCC(CC2)C(=O)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942102	612.354	KYIUJVKHSDPFBH-FAXOPBBUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163861
CSc1ncc(c(n1)C(Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F)Br	PC-id_144693846	612.361	PSXDSKYVVFSLNJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163862
COc1ccc(Cl)cc1[C@H](NC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2)c1cccc(Cl)c1	ZINC22_2325838339	612.363	LZTKPNJQLOLLEU-JOCHJYFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163863
COc1ccc(Cl)cc1[C@@H](NC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2)c1cccc(Cl)c1	ZINC22_2325838340	612.363	LZTKPNJQLOLLEU-QFIPXVFZSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163864
BrC1(C2SC=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1)C(OC(=O)C)c1nc2SCCn2c1	SCHEMBL6810396,PC-id_69903936	612.515	FOUJLBXFOLUHRP-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-163865
c1(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccc(cc3Cl)Cl)n2C)sc2c(CCC2)c1C(=O)OCC	MCULE-4712132763,EMOLS-id_22701210,PC-id_4135223	612.548	FZICCIWYVRKMJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163866
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)COc2ccc(cc2Cl)Cl)C)sc2c1CCC2	PC-id_98229466,CoCoCo_2662184	612.548	FZICCIWYVRKMJB-CYBMUJFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163867
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)COc2ccc(cc2Cl)Cl)C)sc2c1CCC2	PC-id_98229467,CoCoCo_2662183	612.548	FZICCIWYVRKMJB-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163868
CCCCOc1cc(CN2CCn3c2c(C(=O)NC(c2ccc(cc2)C(=O)OC)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18758748	612.563	BWGRJHXTBNXKIK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163869
CCCCOc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)OC)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	SCHEMBL18758481	612.563	BWGRJHXTBNXKIK-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163870
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758751	612.563	FNBJGOGUHDFJDZ-JTSKRJEESA-N	00000010100000110001000010000000000000000000000000000000	25-01-163871
COCCCc1cc(CN2CCn3c2c(C(=O)N[C@H](c2ccc(cc2)C(=O)OC)C)c(n3)C(F)(F)F)cc(c1)C(F)(F)F	PC-id_138705366,SCHEMBL21081528	612.563	SMHPZHZLRRKMAF-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163872
O=C(N1Cc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(c(c1C(F)(F)F)F)F)N1CCN(CC1)C(=O)OC(C)(C)C	SCHEMBL17222995,PC-id_118483472	612.591	RLBPXCPIFCRUEH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163873
FC(F)(F)Oc1ccc(N(CCCc2ccc(OCc3ccc(OC[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)C)cc1	PC-id_53469462	612.596	SPDLBQMHDCGJMO-SSEXGKCCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163874
FC(F)(F)Oc1ccc(N(CCCc2ccc(OCc3ccc(OCC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)C)cc1	PC-id_76036997	612.596	SPDLBQMHDCGJMO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163875
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1NC(=O)c1ccc[nH]1)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1374731,PC-id_67010349	612.604	FYWBUPUIXOXBIY-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-163876
COC(=O)C1CC=C(C=C1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OCCOS(=O)(=O)C)C	SCHEMBL18758473	612.618	PGKRDKATVHLZAY-DIMJTDRSSA-N	00000010100011110001000010000000000000000000000000000000	25-01-163877
O=C(N1C[C@H](C[C@H]1CN1CCn2c1ccn2)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9461418,PC-id_67856397	612.654	VNMVYEITXVTRMH-JKHKLWCOSA-N	00001011100000110001001010000000000000000000000000000000	25-01-163878
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1CC(N(C1)C(=O)OCc1ccc([N+](=O)[O-])cc1)CN1CCn2nccc12	PC-id_77367445	612.654	VNMVYEITXVTRMH-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-163879
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)O)C1CC(N(C1)C(=O)OCc1ccc([N+](=O)[O-])cc1)CN1n2c(ncc2)CC1	PC-id_77367455	612.654	LACGLTGLAQBFEI-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-163880
S(C1=C(N2[C@@H]([C@H](C2=O)[C@H](O)C)[C@H]1C)C(=O)O)[C@H]1C[C@H](N(C1)C(=O)OCc1ccc([N+](=O)[O-])cc1)CN1n2c(ncc2)CC1	PC-id_67856445	612.654	LACGLTGLAQBFEI-JKHKLWCOSA-N	00001011100000110001001010000000000000000000000000000000	25-01-163881
CCCCCOC(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccccc1NC(=O)c1ccnn1C)occ2)C(=O)N(CC)c1ccccc1	PC-id_89724061,SCHEMBL15153553	612.656	AZOCERHXNZZCJB-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-163882
CCN(c1ccccc1)C(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccccc1NC(=O)c1ccnn1C)occ2)C(=O)OCC(C)(C)C	SCHEMBL15153344,PC-id_89723907	612.656	IKWRYQCJERTRHK-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-163883
Brc1cccc(n1)CCCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(c1ccccc1)C	SCHEMBL12747871,PC-id_58201303	612.676	GHNCOYJBWHPYRF-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-163884
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	MCULE-1009858142,PC-id_5236225,EMOLS-id_22700348,CoCoCo_2661448	612.7	IJOBBOCSWMDUEU-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163885
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	PC-id_5172858,MCULE-6472116321,CoCoCo_2661124,EMOLS-id_22699806	612.72	JJORPNWBHLZQJY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163886
O=C(Nc1ccsc1CNC(=O)N1Cc2c(C1=O)ccs2)Nc1ccsc1CNC(=O)N1Cc2c(C1=O)ccs2	PC-id_101543230	612.724	RYDNDVWLVVSUIM-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-163887
CCS(=O)(=O)c1c(cc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1c(cc(cc1F)C#N)F)C1CCCC1	SCHEMBL19772194,PC-id_134171014	612.753	VIDVCBSWAHQBET-PMERELPUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163888
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)NC1CCC(CC1)NC(=O)c1ccc(cc1)NC(=O)C=C)C	PC-id_137497886,SCHEMBL20741144	612.765	PKHUCMCAEGQBAL-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163889
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)N[C@@H]1CCC[C@@H](C1)NC(=O)c1ccc(cc1)NC(=O)C=C)C	PC-id_137497880,SCHEMBL20741137	612.765	BMDYRVWBRSFBFF-OQKNHUCHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163890
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(n[nH]2)N[C@@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1)NC(=O)C=C)C	SCHEMBL20741151,PC-id_137497891	612.765	BMDYRVWBRSFBFF-AQTMLSCTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163891
C=CC(=O)Nc1ccc(cc1)C(=O)NC1CCC(CC1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL18313495	612.765	PKHUCMCAEGQBAL-XKHVUIRMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163892
C=CC(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121443994,SCHEMBL17878728	612.765	BMDYRVWBRSFBFF-FULLSBAXSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163893
C=CC(=O)Nc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H](C1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121443995,SCHEMBL17878729	612.765	BMDYRVWBRSFBFF-STROYTFGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163894
OCc1cc(ccc1OC(=O)C)[C@H](CNCCCCCCOCCOCc1cccc(c1)NCc1cn2c(n1)SCC2)O	PC-id_66845227,SCHEMBL925422	612.78	KMRZQXKGEOHJFO-PMERELPUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163895
S1CCn2c1nc(c2)CNc1cc(COCCOCCCCCCNCC(O)c2cc(c(OC(=O)C)cc2)CO)ccc1	PC-id_77195715	612.78	KMRZQXKGEOHJFO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163896
O(C(CCCCCC)C(=O)NCC(c1nc2n(n1)N=C(C2=Nc1ccc(N(CCN=C)CC)cc1)C)C)c1c(cc(cc1)C)C	PC-id_18737217	612.808	ZIJGRHBUPUEQAD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163897
CCCCC(CN1C(=O)c2c(C1=O)c(sc2)C(=C)SC(=C)c1scc2c1C(=O)N(C2=O)CC(CCCC)CC)CC	PC-id_144148787	612.866	WCUGCODSVBWGRG-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163898
S(=O)(=O)(CCCCCCCCCCCC)CCCc1n2N=C(C(C)(C)C)/C(=N/c3c(cc(N(CCC)C)cc3)C)/c2nn1	PC-id_20870783	612.912	GPEWXMLMWBKHLC-LLZINOMRSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163899
C=C[C@@H]1CCc2c1n(nc2C(F)(F)F)CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_163755520	613.191	LTSJVUHAYQROEZ-NSYGIPOTSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163900
Cn1c2c(cn1)C(N(C2)C(=O)Nc1ccc(cc1)CI)C(=O)Nc1c(cc(cc1)n1ccncc1=O)F	PC-id_89386168	613.382	UKYSVRWGWCVBCZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163901
ICc1ccc(cc1)NC(=O)N1Cc2c([C@@H]1C(=O)Nc1ccc(cc1F)n1ccncc1=O)cnn2C	SCHEMBL14627717	613.382	UKYSVRWGWCVBCZ-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163902
NCCN(C(=O)CC[C@@H](C(=O)N[C@@H](C(=O)Nc1sc2c(n1)C(OB2O)(C)C)Cc1ccc(cc1)C(F)(F)F)N)CCN	PC-id_144427178	613.461	BJLUWBQOJMNGNZ-DLBZAZTESA-N	00000010100000110001000010000000000000000000000000000000	25-01-163903
CC1(Cn2cc(nc2O1)[N+](=O)[O-])COc1ccc(cc1)N1CCC(CC1)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_87333809,SCHEMBL2096502	613.551	AMVMZGLDQLCEDX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163904
CN(C1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Cn2c(O1)nc(c2)[N+](=O)[O-])Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL2096499	613.551	AMVMZGLDQLCEDX-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163905
c1(NC(=O)CCCS(=O)(=O)c2nc(c3ccc(c(OC)c3)OC)cc(C(F)(F)F)n2)sc2c(CCC2)c1C(=O)OC	CoCoCo_2005132,PC-id_17382043,EMOLS-id_7709676,ZINC22_98043172,TIMTEC503268,MCULE-5406177600	613.626	VLDDZUDVXUNJTR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163906
CCCCCOC(=O)N1c2c(C(N1)(C(=O)N(CC)c1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccnn1C)occ2	PC-id_89724059,SCHEMBL15153551	613.664	DYMWFLBNCBLMDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163907
CCN(c1ccccc1)C(=O)C1(c2c(cco2)N(N1)C(=O)OCC(C)(C)C)NC(=O)c1ccccc1NC(=O)c1ccnn1C	PC-id_89723904,SCHEMBL15153340	613.664	XFHHOEZWSUCYLX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163908
O=C(CNC(=O)CNC(=O)CNC(=O)CSC(=O)C)NCCCCCCOc1ccc(cc1)C(=O)c1ccc2n1CCC2	PC-id_118604672,SCHEMBL17369580	613.725	GLGCVWQOKSVRFV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163909
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC1CCCC1)CC	PC-id_44519476,SCHEMBL1434145	613.75	DEGDLBBGIOKLSH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163910
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC1CCCC1	SCHEMBL1434146,PC-id_67030928	613.75	BNTDBVCNQNAIBA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163911
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OCCCC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3495845,EMOLS-id_22699766,MCULE-8762577616,CoCoCo_2661096	613.791	DHEFLCGBXYCWQL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163912
S1(=O)(=O)CCN(CC1)c1ccc(OC(CCCCCCCCCC)C(=O)OCC(c2n3nc(c(=C)c3nn2)C)(C)C)cc1	PC-id_60065232	613.811	PRHIQYVESUWTQT-UHFFFAOYSA-N	00000000100010110001100010000000000000000000000000000000	25-01-163913
CCCCc1nc(C)n(c(=O)c1Cc1ccc(cc1)c1ccccc1C(=NN)NN)Cc1cc2c(s1)C(N(C2(C)C)O)(C)C	PC-id_144269885	613.816	AFXZMECTZCXMSX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163914
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700766,PC-id_4446713,CoCoCo_2661709,MCULE-6240683969	614.111	XQBKBESBASTWPE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163915
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_3258293,MCULE-8112396323,CoCoCo_2661570,EMOLS-id_22700536	614.111	ASIBKQIEAJNINI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163916
CC1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)NC	PC-id_160263040	614.212	DRDLDDWXQAKEJM-UUSAFJCLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163917
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2n(CC[N+]2(Cc2cc(ccc2)I)[O-])nc1C(F)(F)F	PC-id_135360549,SCHEMBL20538897	614.356	AQKCTOOCKYINMX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163918
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(nn2c1[N+]([O-])(CC2)Cc1cccc(c1)I)C(F)(F)F)C	SCHEMBL18740288	614.356	AQKCTOOCKYINMX-KFKHOZABSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163919
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(C4CCNCC4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C	PC-id_153565192	614.365	NLSOICZRKKVVOR-LFJCUOTISA-N	00000010100010110001000010000000000000000000000000000000	25-01-163920
Clc1cc(Cl)cc(c1)C1(ON=C(C1)N(C(=O)c1scc2c1CCC2)C1CCN(C1=O)CC(F)(F)F)C(F)(F)F	PC-id_117869972,SCHEMBL16462253	614.387	SYMWRTCEFDOKGD-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163921
Brc1c(OCc2c(cccc2)C)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19658678	614.507	DWSUCVSLTIRCNZ-AMVVHIIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-163922
Brc1c(OCc2cc(ccc2)C)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19659443	614.507	OCJYOFOHBNDSPX-AMVVHIIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-163923
Brc1c(OCc2ccc(cc2)C)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19660648	614.507	UTJGQLZYUPMTTJ-AMVVHIIESA-N	00000010100000110000000010000000000000000000000000000000	25-01-163924
Brc1c(OCc2c(cccc2)C)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73633179	614.507	DWSUCVSLTIRCNZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163925
Brc1c(OCc2cc(ccc2)C)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73633929	614.507	OCJYOFOHBNDSPX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163926
Brc1c(OCc2ccc(cc2)C)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73635100	614.507	UTJGQLZYUPMTTJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163927
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)C(=O)N(c1ccccc1Cl)Cl)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1987371,PC-id_87320362	614.523	BDRXXRJHFUFIQX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163928
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1)N1CCN(CC1)C)CN(C2(C)C)C(=O)Nc1c(Cl)cccc1Cl	SCHEMBL1987368,PC-id_67238193	614.523	URQLNQNKNOZVGP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163929
COc1cc(C(=O)N)c(cc1n1cccc1C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009651,SCHEMBL1372774	614.577	RFYCJZQCDSDHRP-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-163930
COc1cc(C(=O)N)c(cc1n1ccc(c1)C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373585,PC-id_67009961	614.577	UXKFNMWJNYTGTQ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-163931
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC[C@@H]2NCCC2)cc(N2CCOCC2)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524061	614.706	OJGHYULKOQRUBL-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163932
s1c2c(CCC2)c(c1NC(=O)c1ccc(Oc2ccc(C(=O)Nc3sc4c(CCC4)c3C(=O)NC)cc2)cc1)C(=O)NC	PC-id_43947625	614.734	LOMKQSJKIFGADV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163933
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4195828,EMOLS-id_22701042,MCULE-8357786149	614.736	RBLGRDZOMCLJNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163934
CCCCn1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_98141926,CoCoCo_2661954,ZINC22_100817336	614.736	RBLGRDZOMCLJNX-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163935
CCCCn1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2	PC-id_98141927,ZINC22_100817339,CoCoCo_2661953	614.736	RBLGRDZOMCLJNX-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163936
C=CC(=O)OCCN(c1ccc(c(c1)C)N=Nc1sc2c(n1)CC(=C2)N=Nc1ccc(cc1)CCOC(=O)C(CC)C)CC	PC-id_145746493	614.758	DDGNLIKVUWYWDF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163937
CCC(=O)Nc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H](C1)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_145111607	614.781	DBGNKHXQJBOOMX-STROYTFGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-163938
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)NC2(C)CS(=O)(=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1	PC-id_134285224,SCHEMBL19900938,BindingDB-id_799314	615.021	XZONLIDEOKUBKX-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-163939
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N1CCS(=O)(=O)CC1)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302885,SCHEMBL19920600	615.021	CBWGIORUKZJHQM-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-163940
CNC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CN(C5)C)C(=N4)C(F)(F)F)F	PC-id_161079544	615.207	DJLZYUYNDOPHPX-LJQANCHMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163941
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CC(=O)C2)c(n1)C(F)(F)F)F	PC-id_90162497	615.526	JAKKKVGACGLXOM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163942
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CC(=O)C2)C(F)(F)F	SCHEMBL15724113	615.526	JAKKKVGACGLXOM-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163943
O=C(Cn1nc(c2c1CC(C2=O)C)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_118357879,SCHEMBL17067130	615.526	GLGJSXHYJQBXMZ-JDMGRSRBSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163944
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4c(NCCOC)cc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)ccc1	SCHEMBL3485738,PC-id_24946264	615.554	HXEXTBVIKPMJAS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163945
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CC(C2)C)C(F)(F)F	SCHEMBL18852498	615.569	GLMSCZJKNSNBOY-JIKORUOASA-N	00000010100000111001100010000000000000000000000000000000	25-01-163946
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1C[C@H]([C@H]2C)C)C(F)(F)F	SCHEMBL18853958	615.569	VZBOBYYIRPPZEJ-JOWJHRDDSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163947
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1C[C@@H]([C@@H]2C)C)C(F)(F)F	SCHEMBL18853988	615.569	VZBOBYYIRPPZEJ-YWTKSJFSSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163948
O=C(Cn1nc(c2c1[C@@H](C)[C@H](C2)C)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL18853964	615.569	PCFJKPHVMABEQH-NWLBTCKQSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163949
BrC1(Br)SC(Br)(Br)c2c1c(Br)sc2Br	PC-id_10461462	615.618	JJDUHTRTYXFUJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-163950
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N2CCOCC2)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524035	615.691	NXPACWVCTKJRCR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163951
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C(C)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703852,SCHEMBL4284764	615.695	LZLFJMARDIRSJB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163952
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NCC1CCCN1)N1CCOCC1	SCHEMBL2025008,PC-id_67252093	615.695	PQAJXIDHXMUEQN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163953
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC[C@H]1CCCN1)N1CCOCC1	PC-id_57749863,SCHEMBL2025005	615.695	PQAJXIDHXMUEQN-HXUWFJFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163954
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)NCC)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524059	615.695	MAZKSILHBOHEIZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163955
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)N(C)C)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524102	615.695	IIMAXKXIYYZVIK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163956
CC1(Cc2c(C1O)cc(s2)C(=O)CCCCc1c(ccc(c1)c1n[nH]c(=O)c(c1)Nc1ncc(cc1)C1CCCN1C)F)C	PC-id_91504137	615.761	BEDUEDFZVWZPGX-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163957
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2CCCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22701416,PC-id_4446856,MCULE-9533529256	615.764	FHJWLWRBDUEGTM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163958
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2CCCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4092760,MCULE-2936915411,EMOLS-id_22701070	615.764	BVWLMONWVHDTGO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163959
CCCCn1c(nnc1CNC(=O)c1ccc(c(c1)OC)OC)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229849,CoCoCo_2662494	615.764	FHJWLWRBDUEGTM-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163960
CCCCn1c(nnc1CNC(=O)c1ccc(c(c1)OC)OC)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229850,CoCoCo_2662493	615.764	FHJWLWRBDUEGTM-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163961
CCCCn1c(nnc1CNC(=O)c1cc(OC)cc(c1)OC)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2661996,PC-id_98229276	615.764	BVWLMONWVHDTGO-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163962
CCCCn1c(nnc1CNC(=O)c1cc(OC)cc(c1)OC)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229277,CoCoCo_2661995	615.764	BVWLMONWVHDTGO-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163963
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C)CC	SCHEMBL1891564,PC-id_44519302	615.766	JKXVXZIVKBKODY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163964
CCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67030628,SCHEMBL1433662	615.766	GVZSYZBFNSYGGL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163965
CCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_44519138,SCHEMBL1433660	615.766	QMFCLVGNUSPWQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163966
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C	PC-id_67202898,SCHEMBL1893860	615.766	LAULMKGLRAPKIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163967
CCSc1n(CC(F)(F)F)c(=S)n(c1SN1Sc2c(S1)n(c(=S)n2C(C)C)CC(F)(F)F)C(C)C	PC-id_144471794	615.789	GFJRCVMINWBEAN-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-163968
CCC(Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C)OCNCC(c1nn2c(n1)/C(=Nc1ccc(cc1)N(C)C)/C(=N2)C)C	SCHEMBL14364407	615.852	UHEAQISMJRDZNG-IFZQRFIDSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163969
CCC(OCNCC(C)c1nn2c(n1)c(=Nc1ccc(cc1)N(C)C)c(=C)[nH]2)Oc1c(cc(cc1)C(C)(C)CC)C(C)(C)CC	PC-id_91334433	615.852	VOGUJJRZCIFSIA-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-163970
O(c1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(OCNCC(c1nc2n(n1)N=C(C2=Nc1ccc(N(C)C)cc1)C)C)CC	PC-id_58693419	615.852	UHEAQISMJRDZNG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163971
O(c1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(OCNCC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(C)C)cc1)C)C)C)C	PC-id_58693420	615.852	KWHAYBPLSXCAKQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-163972
CC1=C(N2CCCC2=C1C(=O)C(=O)NC3(CC(C3)(F)F)C(=O)NC)C(=O)NC4=CC(=C(C=C4)F)I=C	PC-id_161522496	616.079	WJNQDQSTJKVKHT-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-163973
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1cccc(Cl)c1	MCULE-9518148118,PC-id_3279427,EMOLS-id_11051514	616.174	MKEKPEFYXTXOTE-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163974
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662261,PC-id_97991679	616.174	MKEKPEFYXTXOTE-OAHLLOKOSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163975
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662262,PC-id_97991680	616.174	MKEKPEFYXTXOTE-HNNXBMFYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-163976
COc1ccc(cc1)Oc1sc2=C/C(=C(C(F)(F)F)/c3cc4c(n3B(F)F)cc(s4)Oc3ccc(cc3)OC)/N=c2c1	PC-id_139258909	616.387	AHMFTIYOAYSMDY-NHFJDJAPSA-N	00000010100000110000000110000000000000000000000000000000	25-01-163977
CN1CCN(CC1)c1ccc(cc1)C(=O)[As]c1nn(c2c1CN(C2)C(=O)C(c1ccccc1)OC)C(=O)OCC#C	PC-id_87243139	616.519	OFMVVMCSJYYLSU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163978
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CN(C2)C)c(n1)C(F)(F)F)F	PC-id_90162498	616.557	RLBRAGMJQFZCLO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163979
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c(c2CN(Cc2n1)C)C(F)(F)F)F	PC-id_90162478	616.557	PSEVHTODPGZXLQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163980
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CN(C2)C)C(F)(F)F	SCHEMBL15724114	616.557	RLBRAGMJQFZCLO-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163981
CNC(=O)c1cc(ccc1F)c1cccnc1[C@@H](NC(=O)Cn1nc2c(c1C(F)(F)F)CN(C2)C)Cc1cc(F)cc(c1)F	SCHEMBL15724094	616.557	PSEVHTODPGZXLQ-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163982
Fc1cc(cc(c1)F)C[C@@H](c1ncncc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1CC(C2C)C)C(F)(F)F	SCHEMBL17067067,PC-id_118357819	616.557	HQXVEDOZHTUHAE-ITWBZBEWSA-N	00000010100000110001100010000000000000000000000000000000	25-01-163983
CCOCc1ccc(cc1)c1cccnc1C(Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1C(F)(F)C(C2)C)C(F)F	PC-id_144505287	616.597	HZZYHIMMQPDCFY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-163984
S(=O)(O)c1c(n2nc(c([N+]#[C-])c2N/N=C/2C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C)cccc1	PC-id_21032575	616.651	DPDBTZUEBAOYFJ-QFMPWRQOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163985
S(=O)(O)c1c(n2nc(c([N+]#[C-])c2NN=C2C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C)cccc1	PC-id_73735482	616.651	DPDBTZUEBAOYFJ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-163986
CN1CC(C1)Oc1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370275,PC-id_67008664	616.679	BLAVVWPWHKCBAG-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-163987
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC1CCOCC1)N1CCOCC1	PC-id_16665527,SCHEMBL1373969	616.679	VGUATLUKCJKEPC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163988
CCNC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C	SCHEMBL1370640,PC-id_57749894	616.683	ITZZNQWTLVKXIE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163989
CN1CCN(CC1)c1ccc(c(c1)NC(=O)[C@@H](N)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703899,SCHEMBL4281988	616.683	GFERBHBFOHOXPE-INIZCTEOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163990
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C(N)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_68985303,SCHEMBL4281998	616.683	GFERBHBFOHOXPE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163991
CN1CCN(CC1)c1ccc(c(c1)NC(=O)N(C)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372958,PC-id_57749854	616.683	XAMHYDKCOQLWAQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163992
CNCC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C	PC-id_57703874,SCHEMBL4285178	616.683	SALLVMPVUPMQSK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163993
s1c2c(CCC2)c(c1NC(=O)c1ccc(Oc2ccc(C(=O)Nc3sc4c(CCC4)c3C(=O)OC)cc2)cc1)C(=O)OC	PC-id_4126313	616.704	SQIJICXQVJUWGY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-163994
O=C1CC(C(=O)N1C(c1nn2c(n1)c(c([nH]2)C(C)(C)C)C=c1c2nc(nn2nc1C(C)(C)C)C(N1C(=O)CC(C1=O)C)C)C)C	PC-id_102265342	616.714	JEUKPQNAPLDLOB-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-163995
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)CO[Si](C(C)(C)C)(C)C)C	PC-id_140931281	616.746	LBUWGRQOWDJYDC-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-163996
CCCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67203401,SCHEMBL1895502	616.75	LVLKZVZDBOYOCS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163997
CCCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_67203398,SCHEMBL1895499	616.75	LVLKZVZDBOYOCS-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-163998
CCO[P+](C1SC2=C(S1)SC(=Cc1ccc(s1)C=C1SC(=C(S1)SC)SC)S2)(OCC)[O-]	PC-id_122396934	616.927	HXYLTFLDGGSOIA-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-163999
CCCCC[C@H](O[Si](C(C)(C)C)(C)C)/C=C/[C@H]1[C@@H](Cc2c1c(C#N)c([nH]2)CCCCC(=O)OC)O[Si](C(C)(C)C)(C)C	PC-id_102506069	617.022	GUPIEKICWDGCGR-JSZHJYDFSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164000
CCCCC[C@@H](O[Si](C(C)(C)C)(C)C)/C=C/[C@H]1[C@@H](Cc2c1c(C#N)c([nH]2)CCCCC(=O)OC)O[Si](C(C)(C)C)(C)C	PC-id_102506070	617.022	GUPIEKICWDGCGR-ZDLGDJQRSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164001
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)NC1(CS(C1)(O)O)C)C(=O)Nc1cc(c(cc1)F)Cl	SCHEMBL19900937,PC-id_134285223	617.037	NKHWGACMNTWFGR-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-164002
NC(=O)c1c(NC(=O)c2cc(I)cc(I)c2Br)sc2c1CCC2	PC-id_4503671,ZINC22_150478364	617.038	LAFIJPIJICULHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164003
CCC(C)C1=CC=C(C=C1)OCC2=CC(=NO2)C3=CC=C(C=C3)O[I-][C@]4(CN5C=C(N=C5O4)[N+](=O)[O-])C	PC-id_152861399	617.09	KYBHYHUUVKAESW-XJCVEMOTSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164004
C#CCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434526	617.527	RPOHPZABBJFBAO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164005
C#CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434525	617.527	RPOHPZABBJFBAO-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164006
CC1Cc2c(C1O)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_89369926	617.542	DZPGONPJGHJWQD-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164007
CC1CC(c2c1c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F)O	PC-id_89370024	617.542	ZLRWHAGCZPZQFN-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164008
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CC(C2)O)C(F)(F)F	SCHEMBL18852500	617.542	SKKXXANAZBVCJE-WIIYFNMSSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164009
O=C(Cn1nc(c2c1[C@@H](O)C(C2)C)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_139373039	617.542	DZPGONPJGHJWQD-RRBGCKDXSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164010
O=C(Cn1nc(c2c1[C@@H](O)C[C@H]2C)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555871	617.542	ZLRWHAGCZPZQFN-ILFDSTAHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164011
O=C(Cn1nc(c2c1[C@H](O)[C@@H](C2)C)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555596	617.542	DZPGONPJGHJWQD-QSFFPBISSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164012
O=C(Cn1nc(c2c1[C@@H](O)[C@@H](C2)C)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL21226946	617.542	DZPGONPJGHJWQD-XXXWZAQXSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164013
CNNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c(c2CNCc2n1)C(F)(F)F)F	PC-id_89369968	617.545	JRUZFOFGWKJZGI-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164014
CNNC(=O)c1cc(ccc1F)c1cccnc1[C@@H](NC(=O)Cn1nc2c(c1C(F)(F)F)CNC2)Cc1cc(F)cc(c1)F	SCHEMBL14555706	617.545	JRUZFOFGWKJZGI-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164015
OC(c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)NC1(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)C	PC-id_145296901	617.563	UKOWJYIJEIMELK-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-164016
Clc1c(/N=C/C(=Nn3nc(nc23)C(CNS(=O)Oc2cc(C(C)(C)C)ccc2C)(C)C)C(C)(C)C)cc(Cl)c(c1)C	PC-id_20725932	617.633	VJFSLXRRTXHGDL-BCJTWVECSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164017
CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1Cc2cc(sc2C1)C(=O)N1CCC(CC1)S(=O)(=O)N)C(F)(F)F	BindingDB-id_992391,PC-id_135331069,SCHEMBL20502364	617.661	PUHPITNNQBUMLQ-UHFFFAOYSA-N	00000010100010101000000010000000000000000000000000000000	25-01-164018
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1N)N1CCN(CC1)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703873,SCHEMBL1372986	617.667	UUWHHTSRQNOWJG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164019
CN(CC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1)C	PC-id_68986871,SCHEMBL4285425	617.667	UZNHQVQUOVRTFJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164020
COCCCNc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C	PC-id_67009042,SCHEMBL1371342	617.71	IFEPTJDHQIUFGP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164021
COC[C@H](Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)C	PC-id_16665604,SCHEMBL1370754	617.71	QAUROFGHWNDITH-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164022
COC[C@@H](Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)C	SCHEMBL1371200,PC-id_16665675	617.71	QAUROFGHWNDITH-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164023
COCC(Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)C	PC-id_67009404,SCHEMBL1372241	617.71	QAUROFGHWNDITH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164024
S(=O)(Oc1c(ccc(c1)C)C)NCCc1n2/C(=N/c3c(cc(N(CC)CC(=O)OCC)cc3)C)/C(=C(c2nn1)C#N)C(=O)C	PC-id_59091104	617.719	LPKFBBPWZYRTLQ-WUVHBKSUSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164025
CCS(=O)(=O)c1ccc(c(c1)C1CCCC1)CC(=O)Nc1sc2c(n1)[C@H](N(C2)Cc1ccc(cc1)OC(F)F)C(C)C	SCHEMBL19772222,PC-id_134171042	617.77	JGDTYJPWKNPZCO-GDLZYMKVSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164026
c1(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccccc3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22701502,MCULE-6819760405,PC-id_3656800	617.781	ZPIWTWVUOLOCSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164027
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-3387191620,CoCoCo_2661818,PC-id_3552814,EMOLS-id_22700936	617.781	JPALNCDIOGZXPS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164028
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662617,PC-id_98229668	617.781	ZPIWTWVUOLOCSP-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164029
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662618,PC-id_98229667	617.781	ZPIWTWVUOLOCSP-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164030
Brc1c(OCc2ccc(F)cc2)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19659102	618.471	RRVWTRGLNDFJHK-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164031
Brc1c(OCc2ccc(F)cc2)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_73633598	618.471	RRVWTRGLNDFJHK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164032
Brc1c(OCc2c(F)cccc2)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19659405	618.471	UODFWSBCKPTCOI-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164033
Brc1c(OCc2c(F)cccc2)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73633892	618.471	UODFWSBCKPTCOI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164034
Brc1c(OCc2c(F)cccc2)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_4104397	618.471	YXCBRNUEKDEYIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164035
Brc1c(OCc2c(F)cccc2)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9647226	618.471	YXCBRNUEKDEYIB-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164036
CN1CCN(CC1)c1ccc(cc1)C(=O)[As]c1nn(c2c1CN(C2)C(=O)C(c1ccccc1)OC)C(=O)OCC=C	PC-id_87243118	618.535	UTYPXKFYALUJSR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164037
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1cc(c2c1CC(C2)(F)F)C(F)F	SCHEMBL18357308	618.545	RNDLGGOHNOMMKR-VWLOTQADSA-N	00000010100000111000100010000000000000000000000000000000	25-01-164038
COc1cc(C(=O)N)c(cc1N1CCC[C@H]1C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373640,PC-id_67009980	618.609	OKDHLHJCSPGEOZ-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164039
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCC(C1)Nc1nn(c2c1CN(C2(C)C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_121438473,SCHEMBL17872068	618.68	XVMAXDNMKFLBGO-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164040
CN(CCOc1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	SCHEMBL1372169,PC-id_67009372	618.695	MWRFKOXWGMNWGC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164041
CC(C)[C@H]1c2c(CN1Cc1cc(=O)n(cc1)C(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	PC-id_134170877,SCHEMBL19772048	618.758	IRZCGLLQZGFYEN-NDEPHWFRSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164042
CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@H]1C[C@H](c2c1cnn2C)Cn1ccc(=O)n(c1=O)C(=O)c1ccccc1	PC-id_134973458	618.797	BYFFNRKJSFJSKO-WUFINQPMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164043
CCCCC(c1[nH]n2c(c1/C=c
/c(nn3c1nnc3C(CCCC)CC)C(CCCC)CC)nnc2C(CCCC)CC)CC	PC-id_121320880	618.942	DCXSUTNGXXYNEQ-GDWJVWIDSA-N	00000000100000000001000110000000000000000000000000000000	25-01-164044
CCCCC(c1nn2c(c1/C=c
/c(nn3c1nnc3C(CCCC)CC)C(CCCC)CC)[nH]nc2C(CCCC)CC)CC	SCHEMBL17732431	618.942	YZIMULBPULMXJO-GDWJVWIDSA-N	00000000100000000001000110000000000000000000000000000000	25-01-164045
CCCCCC(c1nc2n(n1)N=C(C2=Nc1ccc(cc1C)N(CC(CCCC)CC)CC(CCCC)CC)C(CC)C)CC	PC-id_117623812	618.982	CRPWQYDBASGSGI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164046
CCCCCC(c1nc2n(n1)N=C(/C/2=N/c1ccc(cc1C)N(CC(CCCC)CC)CC(CCCC)CC)C(CC)C)CC	SCHEMBL16139246	618.982	CRPWQYDBASGSGI-CUXNAULPSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164047
COC(=O)CCCCCc1n[nH]c2c1C(/C=C/[C@@H](C1CCCCC1)O[Si](C(C)(C)C)(C)C)C(C2)O[Si](C(C)(C)C)(C)C	SCHEMBL11216204,PC-id_70540379	619.038	ULYMEHREGYLNEL-MBEUAPSESA-N	00000010100010000001000010000000000000000000000000000000	25-01-164048
COC(=O)CCCCCc1n[nH]c2c1[C@@H](/C=C/[C@@H](C1CCCCC1)O[Si](C(C)(C)C)(C)C)[C@@H](C2)O[Si](C(C)(C)C)(C)C	PC-id_13106525,SCHEMBL11216201	619.038	ULYMEHREGYLNEL-CSFIDZGYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-164049
[Si](OC1C(c2c([nH]nc2CCCCCC(=O)OC)C1)C=CC(O[Si](C(C)(C)C)(C)C)C1CCCCC1)(C(C)(C)C)(C)C	PC-id_73165886	619.038	ULYMEHREGYLNEL-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-164050
Clc1c(cc(/C=N/NC(=O)c2c3CCCc3sc2NC(=O)c2cc(CN3CCC(CC3)CO)ccc2)cc1)C(F)(F)F	PC-id_23107558	619.097	GONIXQFTKALYBA-PTEHHBOZSA-N	00000010100010110000000010000000000000000000000000000000	25-01-164051
Clc1c(cc(C=NNC(=O)c2c3CCCc3sc2NC(=O)c2cc(CN3CCC(CC3)CO)ccc2)cc1)C(F)(F)F	SCHEMBL266304,PC-id_66637855	619.097	GONIXQFTKALYBA-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-164052
OCC1CCN(CC1)Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=Cc1ccc(c(c1)C(F)(F)F)Cl)CCC2	SCHEMBL266303	619.097	GONIXQFTKALYBA-BYDMSBDESA-N	00000010100010110000000010000000000000000000000000000000	25-01-164053
C[C@H](C1=CC(=CC(=C1)F)F)[C@@H](C2=C(C=CC=N2)C3=CC(=C(C=C3)F)C(=O)N)NC(=O)CN4C5=C(CSC5)C(=N4)C(F)(F)F	PC-id_153670188	619.148	HKDWEZFPURMMKF-PWECECGKSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164054
C[C@@H]1CC(C2=C1C(=NN2CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N)C(F)F)(F)F	PC-id_147217405	619.182	CGJXHBGHFSRZLV-PEBXRYMYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164055
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(Br)cc(c1)C(F)(F)F)C	PC-id_140931272	619.354	MWZLTXGXKWAZGE-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164056
CC1CC(c2c1c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)F)(F)F	PC-id_135215940	619.533	CGJXHBGHFSRZLV-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164057
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CC(C2)(F)F)c(n1)C(F)F)F	PC-id_90162506	619.533	DEFIOKQLKDELJK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164058
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CC(C2)(F)F)C(F)F	SCHEMBL15724122	619.533	DEFIOKQLKDELJK-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164059
Fc1cc(F)cc(c1)[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1C(F)(F)[C@@H]([C@@H]2C)C)C(F)F	SCHEMBL17067036,PC-id_118357790	619.533	NMLVTVYJOJMUFW-LCHIKPRUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164060
O=C(Cn1nc(c2c1C(F)(F)C[C@H]2C)C(F)F)NC(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL20371712	619.533	CGJXHBGHFSRZLV-HNNQXCQYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164061
C=CCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434419	619.543	RYZHNEXZMBPIAI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164062
C=CCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434418	619.543	RYZHNEXZMBPIAI-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164063
FC(F)(F)Oc1ccc(OC2CCN(CC2)C(=O)CNC(=O)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66591591,SCHEMBL70043	619.546	GFQYKYPGSBTSII-HHHXNRCGSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164064
FC(F)(F)Oc1ccc(OC2CCN(CC2)C(=O)CNC(=O)c2ccc(OC[C@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_66591592,SCHEMBL70044	619.546	GFQYKYPGSBTSII-MHZLTWQESA-N	00000010100010110001000010000000000000000000000000000000	25-01-164065
FC(F)(F)Oc1ccc(OC2CCN(CC2)C(=O)CNC(=O)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL2091606,PC-id_67274788	619.546	GFQYKYPGSBTSII-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164066
OCC(Cc1cc2c(n1CC(=O)O)cc(n2CC(=O)O)C=C1C=c2c(=[N+]1CC(=O)O)cc(n2CC(=O)O)C(C(CO)O)O)O	PC-id_100986170	619.554	BZXAZSMNVFTVOW-UHFFFAOYSA-O	00000010100000000000000110000000000000000000000000000000	25-01-164067
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CSC2)c(n1)C(F)(F)F)F	PC-id_90162461	619.581	YUMBMMQAHFAFHK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164068
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c(c2CSCc2n1)C(F)(F)F)F	PC-id_90162516	619.581	JDKBEOPSKOSTCK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164069
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CSC2)C(F)(F)F	SCHEMBL15724077	619.581	YUMBMMQAHFAFHK-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164070
CNC(=O)c1cc(ccc1F)c1cccnc1[C@@H](NC(=O)Cn1nc2c(c1C(F)(F)F)CSC2)Cc1cc(F)cc(c1)F	SCHEMBL15724132	619.581	JDKBEOPSKOSTCK-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164071
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)CNC(=O)Cn1nc2c(c1C(F)(F)F)CSC2	PC-id_144505801	619.581	RQSCXQBKENYTFQ-QGZVFWFLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164072
CSNc1ccc(cc1)c1cccnc1C(Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1C(F)(F)C(C2)C)C(F)F	PC-id_144505731	619.624	AVXKMMJAVJICCG-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164073
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	MCULE-9188417652,EMOLS-id_22700468,PC-id_5057855,CoCoCo_2661529	619.635	DOYNADGBYCFIAC-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-164074
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_134171070,SCHEMBL19772250	619.642	FOELBTJEGSYVJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164075
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL18378873	619.642	FOELBTJEGSYVJB-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-164076
CCOC(=O)N1c2c(cc(s2)C(=O)NC(C)(C)c2ccccc2)C(N1F)NC(=O)c1ccccc1NC(=O)c1nccn1C	SCHEMBL15153280,PC-id_89723856	619.667	ZHVGOXNICZYFGH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164077
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCC(C1)Nc1nn(c2c1C[N+](C2(C)C)(C(=O)O)C(C)(C)C)C(=O)OCc1ccccc1	SCHEMBL17872959,PC-id_121439120	619.688	DJZLSVFRTTXORR-UHFFFAOYSA-O	00000010100010110001000010000000000000000000000000000000	25-01-164078
Cc1ccc(F)c([C@H]2CCCN2C(=O)c2c(Cn3cc(Cn4c(C)cc(C(=O)OC(C)(C)C)c4C)nn3)nn3c2CCC3)c1F	ZINC22_2325848879	619.705	VCSQYOLDPNSDGC-AREMUKBSSA-N	00000010110000110001100010000000000000000000000000000000	25-01-164079
Cc1ccc(F)c([C@@H]2CCCN2C(=O)c2c(Cn3cc(Cn4c(C)cc(C(=O)OC(C)(C)C)c4C)nn3)nn3c2CCC3)c1F	ZINC22_2325848880	619.705	VCSQYOLDPNSDGC-SANMLTNESA-N	00000010110000110001100010000000000000000000000000000000	25-01-164080
C[C@@](CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1COC(=O)CN(C)C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	PC-id_137440983,SCHEMBL20678296	619.749	BCNHCAHAFHLRDT-IXKNZBCASA-N	00100010100010000000000010000000000000000000000000000000	25-01-164081
CC(CCN1Cc2c(C1=O)sc(c2)C#CC#C[C@H]1C[C@@H]1COC(=O)CN(C)C)(C(=O)NOC1CCCCO1)S(=O)(=O)C	SCHEMBL20678297,PC-id_137440984	619.749	BCNHCAHAFHLRDT-DTDSLZSNSA-N	00100010100010000000000010000000000000000000000000000000	25-01-164082
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661773,MCULE-9953079475,PC-id_4129346,EMOLS-id_22700870	619.754	NZQMBLLZCSSXFW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164083
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700952,CoCoCo_2661828,MCULE-1125976994,PC-id_4621769	619.754	OFQDYCXWFFLQHS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164084
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3375129,MCULE-8811552805,ZINC22_100817253,EMOLS-id_22700096,CoCoCo_2661289	619.754	NOLSUTYGPMGLFK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164085
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661815,PC-id_4611107,MCULE-7611764802,EMOLS-id_22700932	619.754	RYWHKMSBBBVFQQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164086
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-5391841553,CoCoCo_2661323,EMOLS-id_22700144,PC-id_5206715	619.754	HWNWMBUORRHJER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164087
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661269,MCULE-8987875211,PC-id_3646851,EMOLS-id_22700062	619.754	HIQVUEOZCVPTNE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164088
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-9483999362,PC-id_4591122,CoCoCo_2661798,EMOLS-id_24429326	619.754	CEJVZCALINABLL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164089
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)OC)n1c1cccc(C)c1	EMOLS-id_22700982,MCULE-5707025695,PC-id_3506111	619.754	BCWUYEVAZBRASB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164090
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccccc2OC)n1c1cccc(C)c1	MCULE-2608335585,EMOLS-id_22701476,PC-id_5068585	619.754	AZTJNFRQWPONGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164091
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccc(OC)c2)n1c1cccc(C)c1	EMOLS-id_22701380,PC-id_4283422,MCULE-7805612063	619.754	RIBROSHIOJERCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164092
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)COc2ccccc2)n1c1cccc(C)c1	PC-id_5237589,EMOLS-id_22701190,MCULE-7839628669	619.754	DFLRPUPUQVPCCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164093
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3OC)n2Cc2ccccc2)sc2CCCc12	EMOLS-id_22701462,MCULE-8890063321,PC-id_4292307	619.754	UCQQWLFSCNAVIQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164094
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(C)c3)n2c2ccccc2OC)sc2CCCc12	PC-id_4054087,EMOLS-id_22701118,MCULE-3857209880	619.754	WJHIJVIBLZZBRS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164095
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2Cc2ccccc2)sc2CCCc12	PC-id_5067366,MCULE-1419360796,EMOLS-id_22701368	619.754	HZIGDHCVQSAGNU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164096
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(OC)cc3)n2Cc2ccccc2)sc2CCCc12	MCULE-8020687147,EMOLS-id_22700966,PC-id_4284806	619.754	JZRBQAYAQJZLHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164097
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccccc3)n2c2ccccc2OC)sc2CCCc12	PC-id_5098542,MCULE-3533093053,EMOLS-id_22701142	619.754	UHQMWPDITRBACB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164098
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2Cc2ccccc2)sc2CCCc12	PC-id_4607330,EMOLS-id_22701174,MCULE-9246466570	619.754	RWHAJVJWPFVYIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164099
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2661873,PC-id_98229247	619.754	BCWUYEVAZBRASB-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164100
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662449,PC-id_98229833	619.754	RIBROSHIOJERCC-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164101
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	CoCoCo_2662589,PC-id_98229888	619.754	AZTJNFRQWPONGH-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164102
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98229248,CoCoCo_2661874	619.754	BCWUYEVAZBRASB-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164103
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	PC-id_98229834,CoCoCo_2662450	619.754	RIBROSHIOJERCC-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164104
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_98229889,CoCoCo_2662590	619.754	AZTJNFRQWPONGH-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164105
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662149,PC-id_98229737	619.754	DFLRPUPUQVPCCL-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164106
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_98229738,CoCoCo_2662150	619.754	DFLRPUPUQVPCCL-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164107
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cccc(c2)C)C)sc2c1CCC2	PC-id_98229701,CoCoCo_2662059	619.754	WJHIJVIBLZZBRS-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164108
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cccc(c2)C)C)sc2c1CCC2	PC-id_98229702,CoCoCo_2662060	619.754	WJHIJVIBLZZBRS-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164109
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662088,PC-id_98229718	619.754	UHQMWPDITRBACB-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164110
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	PC-id_98229717,CoCoCo_2662087	619.754	UHQMWPDITRBACB-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164111
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2661853,PC-id_98229225	619.754	JZRBQAYAQJZLHA-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164112
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2661854,PC-id_98229224	619.754	JZRBQAYAQJZLHA-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164113
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662429,PC-id_98229828	619.754	HZIGDHCVQSAGNU-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164114
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662430,PC-id_98229827	619.754	HZIGDHCVQSAGNU-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164115
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_98229883,CoCoCo_2662572	619.754	UCQQWLFSCNAVIQ-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164116
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_98229884,CoCoCo_2662571	619.754	UCQQWLFSCNAVIQ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164117
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_98229731,CoCoCo_2662128	619.754	RWHAJVJWPFVYIV-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164118
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_98229732,CoCoCo_2662127	619.754	RWHAJVJWPFVYIV-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164119
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2cc(C)ccc2C)sc2CCCc12	PC-id_3267847,EMOLS-id_22700848,CoCoCo_2661758,MCULE-1860591709	619.754	YZIYDDZMRKEBPE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164120
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2cccc(C)c2C)sc2CCCc12	PC-id_4127258,MCULE-7685602677,CoCoCo_2661755,EMOLS-id_22700842	619.754	LZNGYNFPWMSFPT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164121
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(C)c3)n2c2ccccc2OC)sc2CCCc12	CoCoCo_2661630,EMOLS-id_22700636,PC-id_5079083,MCULE-9959677762	619.754	UNRRLGDUVQBRCF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164122
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2cc(C)ccc2C)sc2CCCc12	EMOLS-id_22700618,PC-id_5079076,CoCoCo_2661617,MCULE-8879853638	619.754	OVAFOECDIVYFGZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164123
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2cccc(C)c2C)sc2CCCc12	MCULE-4435904262,PC-id_5078943,CoCoCo_2661614,EMOLS-id_22700614	619.754	NXDSDYZZLBDGJW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164124
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2c2cccc(C)c2C)sc2CCCc12	MCULE-7751194391,PC-id_4452495,CoCoCo_2661087,EMOLS-id_22699754	619.754	DDLGGGGNGDZBSB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164125
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2c2cc(C)ccc2C)sc2CCCc12	PC-id_3447086,EMOLS-id_22699758,MCULE-2325935403,CoCoCo_2661090	619.754	ZQIKXGQEYYUYJJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164126
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2Cc2ccccc2)sc2CCCc12	MCULE-8838204509,PC-id_4520689,EMOLS-id_22700038,CoCoCo_2661254	619.754	LLZILYSYEDRYDV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164127
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2cc(C)ccc2C)sc2CCCc12	MCULE-4454188626,PC-id_4154996,CoCoCo_2661397,EMOLS-id_22700274	619.754	CEQPHXRITKLVQF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164128
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2cccc(C)c2C)sc2CCCc12	PC-id_4994496,CoCoCo_2661394,MCULE-1917573797,EMOLS-id_22700268	619.754	LWXTVDKQVYRDHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164129
CC(C)[C@]1(c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCC1)C	SCHEMBL19772192,PC-id_134171012	619.761	NEKCHZSEHLMVPG-PMERELPUSA-N	00001010100000110001000010000000000000000000000000000000	25-01-164130
CSN1CCC(CC1)C1=C(C)CC(C(=C1)NC)/C=C/C(=O)c1cnn2c1[nH]/c(=C/C(=CC(F)C)/Oc1ccccc1F)/c2=C	SCHEMBL20085351	619.768	DXXXEDPMIJQGRD-ZEDQEEMNSA-N	00000000100011110001100010000000000000000000000000000000	25-01-164131
S(=O)(Oc1cc(C(CC(C)(C)C)(C)C)ccc1C)NCC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CC)CC)cc1)C)C)C	PC-id_59969396	619.864	WJWBONVOIGEBLA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164132
CCOC(=O)N1c2c(C(N1Cl)NC(=O)c1ccccc1NC(=O)c1ccnn1C)oc(c2)C(=O)NC(C)(C)c1ccccc1	PC-id_89723905,SCHEMBL15153341	620.056	OSLMYIOKZXPZKF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164133
CCN(CCNCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)NN=Cc1ccc(c(c1)C(F)(F)F)Cl)CCC2)CC	PC-id_66637920,SCHEMBL266424	620.129	GLAVUPKDQMWXHF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164134
CCN(CCNCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=Cc1ccc(c(c1)C(F)(F)F)Cl)CCC2)CC	SCHEMBL266423	620.129	GLAVUPKDQMWXHF-VHFSBPNMSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164135
Clc1c(cc(/C=N/NC(=O)c2c3CCCc3sc2NC(=O)c2cc(CNCCN(CC)CC)ccc2)cc1)C(F)(F)F	PC-id_23107974	620.129	GLAVUPKDQMWXHF-IZYHBKOJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164136
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3F)Cl)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661198,EMOLS-id_22699942,MCULE-2957718888,PC-id_4071855	620.158	CBEZWCBEVUIEBT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164137
c1(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-5480786594,PC-id_4451754,EMOLS-id_22701206	620.183	HTDPCRFOMQDDLH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164138
CCCCn1c(CNC(=O)COc2ccc(cc2)Cl)nnc1S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662177,PC-id_98229459	620.183	HTDPCRFOMQDDLH-QGZVFWFLSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164139
CCCCn1c(CNC(=O)COc2ccc(cc2)Cl)nnc1S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662178,PC-id_98229458	620.183	HTDPCRFOMQDDLH-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164140
C/C=C/C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942103	620.322	RVODEGDIYYOBSV-JGOUQMSHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164141
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942123	620.322	XBBCFTWQLAPWQC-QNPDBAMGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164142
C/C=C/C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942134	620.322	ODIAYKJDVRHBAZ-XSTKJXMOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164143
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942150	620.322	OCYPSKGULZLOLW-JGOUQMSHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164144
CCCCCCCCC(CCCCCC)CC1(CSC2=C1SC=C2NCC(CCCCCC)CCCCCCCC)N	PC-id_161059909	620.514	UDGLBDOZKUNGJJ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164145
FC(F)(F)Oc1ccc(NC(=O)N(C2CCN(CC2)C(=O)O)c2ccc(OC[C@@]3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	PC-id_69278891,SCHEMBL5013163	620.534	JWAQAPIGGUEAJT-AREMUKBSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164146
FC(F)(F)Oc1ccc(NC(=O)N(C2CCN(CC2)C(=O)O)c2ccc(OCC3(Oc4n(C3)cc(n4)[N+](=O)[O-])C)cc2)cc1	SCHEMBL5013164,PC-id_69278892	620.534	JWAQAPIGGUEAJT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164147
CC(C)OC(=O)n1c2c(CN(C2)C(=O)C(c2ccccc2)OC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243164	620.551	RJRXLHUMWUCWJT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164148
C1c2c(n(nc2CS1)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)NN)C(F)(F)F	PC-id_89369979	620.569	SWWGVQQLEMBXAY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164149
NNC(=O)c1cc(ccc1F)c1cccnc1[C@@H](NC(=O)Cn1nc2c(c1C(F)(F)F)CSC2)Cc1cc(F)cc(c1)F	SCHEMBL14555734	620.569	SWWGVQQLEMBXAY-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164150
Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2c(Cn3cc(Cn4nc(C)c(C)c4C)nn3)nn3c2CCC3)C1	ZINC22_2325831800	620.586	QIAQRFREIZQERP-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164151
Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2c(Cn3cc(Cn4nc(C)c(C)c4C)nn3)nn3c2CCC3)C1	ZINC22_2325831801	620.586	QIAQRFREIZQERP-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-164152
O(C(=O)C1CCn2c1ccc2C(=O)c1ccccc1)Cc1oc(=O)oc1COC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_59981455	620.605	RVLHSFCOGHXUOU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164153
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)Nc1ccc(cc1)CP(=O)(OCc1ccccc1)OCc1ccccc1	SCHEMBL13652921,PC-id_59810192	620.631	VGXBBNSWLOYQCG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164154
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1F)N1CCN(CC1)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703867,SCHEMBL4279723	620.643	CCBDQSQTSXDPHQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164155
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)S(=O)(=O)c1cc(F)cc(c1)F)NC(=O)c1ccc(c(c1)F)N1CCN(CC1)C	PC-id_57703860,SCHEMBL4281805	620.643	VEQBHUGLMHTVAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164156
O1CC(=O)N(C(c2n3[nH]c(C(C)(C)C)c(c3nn2)C=c2c(nn3c2nnc3C(N2C(=O)COCC2=O)C)C(C)(C)C)C)C(=O)C1	PC-id_57553714	620.66	YLJACKYFRMBYBJ-UHFFFAOYSA-N	00000000100010000001000110000000000000000000000000000000	25-01-164157
O=C1COCC(=O)N1C(c1n[nH]c2n1nc(c2C=c1c2nnc(n2nc1C(C)(C)C)C(N1C(=O)COCC1=O)C)C(C)(C)C)C	SCHEMBL13940498	620.66	ZHGCAWIBRYKPOK-UHFFFAOYSA-N	00000000100010000001000110000000000000000000000000000000	25-01-164158
CSc1cc2n(c1C(=O)c1ccc(cc1)F)CCC2C(=O)OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)F)SC	SCHEMBL11216620,PC-id_88744010	620.686	SGPUHSSUXSKSCO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164159
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	PC-id_67010263,SCHEMBL1374445	620.698	LOIAGPMSTMCRGM-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164160
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1c[nH]cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	PC-id_67009940,SCHEMBL1373530	620.698	IOQPEOJTXXUOIT-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164161
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22699812,PC-id_4455468,MCULE-5207597704,CoCoCo_2661127	620.699	VUINRPSBOLMRKK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164162
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700148,PC-id_4062327,CoCoCo_2661325,MCULE-7614473729	620.699	PBUMDWJYZKHPFC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164163
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)[N+](=O)[O-])n2Cc2ccccc2)sc2CCCc12	MCULE-4904777942,PC-id_5110760,CoCoCo_2661112,EMOLS-id_24429208	620.699	FSVFXCXMDZMGIG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164164
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1cc(ccc1)C)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947709	620.699	ORFSOYWBYUDJKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164165
Brc1c(OCc2cc(Cl)ccc2)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19659516	620.899	LKNRAIWKGGQCQK-XKJRVUDJSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164166
Brc1c(OCc2cc(Cl)ccc2)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_73634001	620.899	LKNRAIWKGGQCQK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164167
CC1(c2c(CN1C(=O)Nc1c(nccc1)Cl)c(nn2OC(=O)C(F)(F)F)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C	SCHEMBL3485261,PC-id_87534237	621.011	YYABXOPJGVQYLA-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-164168
O=C(Cn1nc(c2c1CCC2(F)F)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=C)N)F)Cc1cc(F)cc(c1)F	SCHEMBL18852538	621.524	IUCRADFVPFVTCQ-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164169
Nc1cnc(c(c1)c1ccc(=N)n(c1C)C)C(NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F)Cc1cc(F)cc(c1)F	PC-id_144668138	621.552	QLJVFKKDVAWTDL-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164170
COC(C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)C)c1ccccc1	SCHEMBL1434722	621.559	GLCYAAGQSDDTRQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164171
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)C)c1ccccc1	SCHEMBL1434721	621.559	GLCYAAGQSDDTRQ-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164172
OC(c1n(c2=CC([N+](=c2c1)CC(=O)O)Cc1n(c2c(n(c(c2)CC(O)CO)CC(=O)O)c1)CC(=O)O)CC(=O)O)C(O)CO	PC-id_10258343	621.57	UFMZXLIUJNCGQU-UHFFFAOYSA-O	00000010100000000000000110000000000000000000000000000000	25-01-164173
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_22700810,MCULE-6071392857,CoCoCo_2661737,PC-id_5215289	621.727	QEUGVRMTAMAPTI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164174
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccccc2OC)sc2CCCc12	MCULE-4401852197,PC-id_3429007,EMOLS-id_22700582,CoCoCo_2661596	621.727	RBZDPXWKYOJTTN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164175
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2c2ccccc2OC)sc2CCCc12	CoCoCo_2661069,EMOLS-id_22699724,MCULE-2958203916,PC-id_4461688	621.727	UYVOUBCSHZVLEN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164176
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccccc2OC)sc2CCCc12	MCULE-5526732620,EMOLS-id_22700232,CoCoCo_2661374,PC-id_5004316	621.727	IYJLLEBPRROGQW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164177
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1)CC	PC-id_44519474,SCHEMBL1893423	621.729	ITVKSGVYRDSKNL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164178
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1	SCHEMBL1893425,PC-id_67202764	621.729	AYZRSUWDRSQXLE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164179
CC(C)[C@@H]1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1ncc(cn1)S(=O)(=O)CCC1CCCC1	SCHEMBL19772068,PC-id_134170896	621.737	OGGQVWYMJCPZTG-HHHXNRCGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164180
CC(C)[C@H]1c2c(CN1Cc1nnc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCCC1	SCHEMBL19772060,PC-id_134170888	621.737	WGYRODNFVNYLSC-MHZLTWQESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164181
CCS(=O)(=O)c1ccc(cc1C1CCCC1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1nccc(n1)C(F)(F)F	SCHEMBL19772232,PC-id_134171052	621.737	IADOOGRCGRWTCO-HHHXNRCGSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164182
CCS(=O)(=O)c1ccc(nc1C1CCCC1)CC(=O)Nc1nc2c(s1)CN(C2C(C)C)Cc1ccc(nc1)C(F)(F)F	SCHEMBL19772015,PC-id_134170845	621.737	ZRIYMEGJUAFBBG-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-164183
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3F)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-3996652633,EMOLS-id_22701530,PC-id_4163677	621.745	QTBUGLWQOAFZSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164184
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(F)c3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_4118851,MCULE-4944718325,EMOLS-id_11052100	621.745	KIBLBOCCBKPJRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164185
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	CoCoCo_2662644,PC-id_97991773	621.745	KIBLBOCCBKPJRF-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164186
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	PC-id_97991774,CoCoCo_2662643	621.745	KIBLBOCCBKPJRF-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164187
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_98229686,CoCoCo_2662656	621.745	QTBUGLWQOAFZSO-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164188
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_98229687,CoCoCo_2662655	621.745	QTBUGLWQOAFZSO-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164189
s1c2C(C(OCOCc3ccccc3)Cc2nc1CCCCC(=O)OC)C=CC(OCOCc1ccccc1)CCCCC	PC-id_74035176	621.826	HJISDUZRKFCNDW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164190
CCS(=O)(=O)c1ccc(cc1C1CCCCC1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)CC1CCS(=O)(=O)CC1	SCHEMBL19772094,PC-id_134170921	621.875	MIHFQJVCWKEBRH-LJAQVGFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164192
C1CC(C2=C1N(N=C2C(F)(F)F)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N)(F)F	PC-id_149006020	622.162	QAOXTUFYKZXFHI-QGZVFWFLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164193
CCC1=C(SC=NC1)C2(CC(C2)(F)F)NCC(C)C(=O)C(=O)C3=C(C(=C4N3CCC4)C(=O)NC5=CC(=C(C(=C5)F)F)F)C	PC-id_146927639	622.204	AEJVACWNBJLZIN-UHFFFAOYSA-N	00001010100011110001100010000000000000000000000000000000	25-01-164194
CC1CCC(N1S(=O)(=O)C2=C3C=CCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278790	622.206	LOSSTZKOKNMGFH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164195
CC(C)[Si](C(C)C)(C(C)C)OCC(C)(C1=CC=CC=N1)C(=O)N2CC3=CN(N=C3C2)S(=O)(=O)C4=CN(N=C4)CC(F)F	PC-id_164931927	622.257	FGISSGSOILKRGN-UHFFFAOYSA-N	00000010100000101001000010000000000000000000000000000000	25-01-164196
CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942149	622.338	ASWWDNLNJXHRJM-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164197
Ic1ccc(CCc2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_17047606	622.541	INSCPSGFLBNOTE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164198
C=CC(=O)Nc1ccc(cc1)Nc1cccc(c1)Nc1nn(c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C)C(=O)O	PC-id_121438520,SCHEMBL17872116	622.717	GPUUTJJRFYBOIF-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164199
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(OC)ccc1	PC-id_58524122	622.778	QRKCTBLPYVQXSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164200
CCOC(=O)c1c(c(=O)n([nH]1)c1c(cc(cc1Cl)Cl)Cl)/C(=c
/c(nn2c1nc(n2)C(C)CNC(=O)CC(C)C)C)/C	PC-id_136117504	622.931	ZHYUVDQIQNKUON-ZHZULCJRSA-N	00000000100000110001100010000000000000000000000000000000	25-01-164201
CCOC(=O)c1nn(c(c1/C(=c
/c(C)nn2c1nc(n2)C(CNC(=O)CC(C)C)C)/C)O)c1c(Cl)cc(cc1Cl)Cl	SCHEMBL13616163	622.931	ZJDFKIKGXIAKHX-ZHZULCJRSA-N	00000000100000110001100010000000000000000000000000000000	25-01-164202
CC(C1C(O1)CC1COC(C(C1O[Si](C)(C)C)O[Si](C)(C)C)CC(=C1Cc2c(C1=O)cco2)C)C(C)O[Si](C)(C)C	PC-id_88400061	623.013	HAPBMPHZBOPKPD-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-164203
CC(C1C(O1)CC1COC(C(C1O[Si](C)(C)C)O[Si](C)(C)C)CC(=C1Cc2cocc2C1=O)C)C(C)O[Si](C)(C)C	PC-id_88427585	623.013	YHHIQLTZXBRYEC-UHFFFAOYSA-N	00100010100010000000000010000000000000000000000000000000	25-01-164204
C[C@@H]([C@@H]1O[C@H]1C[C@H]1CO[C@H]([C@H]([C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)C/C(=C/1Cc2c(C1=O)coc2)/C)[C@@H](O[Si](C)(C)C)C	SCHEMBL9203415	623.013	YHHIQLTZXBRYEC-TVVSWSAKSA-N	00100010100010000000000010000000000000000000000000000000	25-01-164205
C[C@@H]([C@H]([C@@H]1O[C@H]1C[C@H]1CO[C@H]([C@H]([C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)C/C(=C/1Cc2c(C1=O)cco2)/C)C)O[Si](C)(C)C	SCHEMBL9013979	623.013	HAPBMPHZBOPKPD-FSWKSAHOSA-N	00100010100010000000000010000000000000000000000000000000	25-01-164206
C[C@@H]([C@H]([C@@H]1O[C@H]1C[C@H]1CO[C@H]([C@H]([C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)CC(=C)c1occ2c1CCC2=O)C)O[Si](C)(C)C	SCHEMBL9013359	623.013	JNNGYOFXYIKSEV-LORYARFWSA-N	00100010100010000000000010000000000000000000000000000000	25-01-164207
[Si](O[C@@H]1[C@@H](C[C@@H]2O[C@H]2[C@@H]([C@@H](O[Si](C)(C)C)C)C)CO[C@H]([C@H]1O[Si](C)(C)C)CC(=C1Cc2c(C1=O)coc2)C)(C)(C)C	PC-id_57210363	623.013	YHHIQLTZXBRYEC-GZNGQYLESA-N	00100010100010000000000010000000000000000000000000000000	25-01-164208
C1c2c(CC1(F)F)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_89351256,SCHEMBL14488703	623.497	TUUOMFJTFVWKNZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164209
C1CC(c2c1c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F)(F)F	PC-id_86719820,SCHEMBL15708566	623.497	FFDOHYMRZXCZHT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164210
C1CC(c2c1n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)(F)F	SCHEMBL15708455,PC-id_86719894	623.497	QFTWCWJFCBWKRX-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164211
O=C(Cn1nc(c2c1CC(C2)(F)F)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14488700	623.497	TUUOMFJTFVWKNZ-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164212
O=C(Cn1nc(c2c1CCC2(F)F)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555546	623.497	QFTWCWJFCBWKRX-NRFANRHFSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164213
O=C(Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555419	623.497	FFDOHYMRZXCZHT-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164214
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700730,CoCoCo_2661688,MCULE-7999526686,PC-id_4126616	623.718	QGANSXAJQVOOOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164215
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661549,MCULE-4989144798,PC-id_4660395,EMOLS-id_22700496	623.718	KFYFEANRQSGQTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164216
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700022,MCULE-4317510997,CoCoCo_2661246,PC-id_3710907	623.718	IDNSVKDJYPPIIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164217
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)OC)n1c1ccc(cc1)F	EMOLS-id_22700956,PC-id_4195946,MCULE-8022175695	623.718	QJORWGREUQKOFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164218
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccccc2OC)n1c1ccc(cc1)F	MCULE-8309214881,EMOLS-id_22701454,PC-id_5121400	623.718	SWHBXKOGQKGTLD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164219
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccc(OC)c2)n1c1ccc(cc1)F	EMOLS-id_22701362,PC-id_5073792,MCULE-1312202579	623.718	OZBXNEXDHGMXFO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164220
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)COc2ccccc2)n1c1ccc(cc1)F	MCULE-3966521081,EMOLS-id_22701162,PC-id_4605148	623.718	OPJDKSSEUXORLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164221
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3F)n2c2ccccc2OC)sc2CCCc12	PC-id_3656533,MCULE-3677265014,EMOLS-id_24429414	623.718	JYTKLNSHHXGKBW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164222
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(F)c3)n2c2ccccc2OC)sc2CCCc12	PC-id_4172403,EMOLS-id_22701348,MCULE-6150087331	623.718	FVPQHIFYYLEDMQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164223
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2661839,PC-id_98229212	623.718	QJORWGREUQKOFM-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164224
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2661840,PC-id_98229214	623.718	QJORWGREUQKOFM-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164225
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662421,PC-id_98229825	623.718	OZBXNEXDHGMXFO-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164226
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662422,PC-id_98229823	623.718	OZBXNEXDHGMXFO-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164227
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	CoCoCo_2662561,PC-id_98229870	623.718	SWHBXKOGQKGTLD-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164228
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_98229871,CoCoCo_2662562	623.718	SWHBXKOGQKGTLD-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164229
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662115,PC-id_98229724	623.718	OPJDKSSEUXORLS-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164230
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662116,PC-id_98229723	623.718	OPJDKSSEUXORLS-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164231
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	CoCoCo_2662399,PC-id_98141938	623.718	FVPQHIFYYLEDMQ-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164232
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	CoCoCo_2662400,PC-id_98141939	623.718	FVPQHIFYYLEDMQ-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164233
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccccc2F)C)sc2c1CCC2	CoCoCo_2662538,PC-id_98229863	623.718	JYTKLNSHHXGKBW-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164234
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_98229861,CoCoCo_2662537	623.718	JYTKLNSHHXGKBW-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164235
CC(C)[C@@H]1c2c(CN1Cc1c(cc(cc1)C(F)(F)F)F)sc(n2)NC(=O)Cc1cc(c(cc1)S(=O)(=O)C)C1CCCC1	SCHEMBL19772238,PC-id_134171058	623.725	QNATWGBSUCRAKL-MUUNZHRXSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164236
CC(C)[C@@H]1c2c(CN1Cc1cc(c(cc1)C(F)(F)F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)CCC1CCC1	SCHEMBL19771967,PC-id_134170799	623.725	NYXFAWVFLOOJHC-MUUNZHRXSA-N	00001010100000110001000010000000000000000000000000000000	25-01-164237
COc1cccc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC1CCOCC1)N1CCN(CC1)C	PC-id_57749881,SCHEMBL1373011	623.766	UYHIHXQHUAMJLD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164238
CCC(CC)NCc1cccc(c1)C(=O)Nc1c(c2c(s1)CCC2)C(=O)Nc1ccc(cc1)CCc1ccc(cc1)C(=O)OC	SCHEMBL15997286,PC-id_90377661	623.804	UZSKODGPKRRAIB-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164239
CC1CCC(N1S(=O)(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278750	624.222	YYFZTBGQHYYKRZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164240
COC(=O)c1c(NC(=O)C2=C(C)N(C)C(=O)N(C)[C@@H]2c2ccc(Br)cc2Oc2ccc(C)cc2)sc2c1CCC2	ZINC22_2325838099	624.545	FOBDQLIWYKNVHQ-AREMUKBSSA-N	00000010100011110001100010000000000000000000000000000000	25-01-164241
COC(=O)c1c(NC(=O)C2=C(C)N(C)C(=O)N(C)[C@H]2c2ccc(Br)cc2Oc2ccc(C)cc2)sc2c1CCC2	ZINC22_2325838100	624.545	FOBDQLIWYKNVHQ-SANMLTNESA-N	00000010100011110001100010000000000000000000000000000000	25-01-164242
CCOC(=O)n1nc(c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)NC(=O)c1ccc(cc1C(F)(F)F)N1CCN(CC1)C	PC-id_57703894,SCHEMBL4282875	624.607	IORSHIDOKPZGGH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164243
CCOC(=O)n1nc(c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCN(CC1)C	SCHEMBL4287268,PC-id_57703853	624.607	NZASQZCNUGLKBG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164244
[O-][N+](=O)c1cn2c(n1)O[C@@](C2)(C)COc1ccc(cc1)N1CCC(CC1)Cc1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F	PC-id_142756663	624.607	IQASHBCPGGGHIH-WJOKGBTCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164245
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1NC(=O)c1ccccn1)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371564,PC-id_67009118	624.615	MBUGJHMRMAWUEK-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164246
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(ccc1)COCCOS(=O)(=O)C	PC-id_135361063,SCHEMBL20539512	624.629	CFALATJPMSMZDQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164247
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)COCCOS(=O)(=O)C)C	SCHEMBL18758463	624.629	CFALATJPMSMZDQ-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164248
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]ccc2)cc(N2CCOCC2)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524100	624.658	CBGGJTIABMWLJV-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164249
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	PC-id_4345264,EMOLS-id_22700736,CoCoCo_2661691,MCULE-3200069056	624.663	ROICUPXGORQTOA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164250
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	ZINC22_100817229,MCULE-2607972527,CoCoCo_2661104,PC-id_5046720,EMOLS-id_22699776	624.663	JQMCKXDEKPCPKC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164251
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1cc(F)ccc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947735	624.663	FAFOSXLZXMOYHT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164252
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCc2occc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524115	624.701	GMBPDLGDCVIUMB-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-164253
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCc2[nH]ccn2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524099	624.705	FKGJRHMNBSFZOU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164254
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N[C@@H](c1ccccc1)CN(C)C)Nc1cccc(c1)NC(=O)c1ccc(cc1)N	PC-id_140963676	624.733	JLKFPNGHRWZCFY-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164255
CCCC(=O)Cc1c(ccnc1N(C(=O)c1c(F)cc(cc1C=C)C(C)(C)C)C)c1cc(Nc2cc3n(n2)CCC3)c(=O)n(c1)C	PC-id_145573305	624.748	FPLRIKYHULSMFR-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164256
CC[C@@H]1C[C@@H](c2c1cc(s2)C(=O)Nc1cccc(c1C)c1cn(C)c(=O)c(n1)Nc1ccc(cc1)[C@@H]1N(C)CCN(C1=O)C)C	SCHEMBL13626125,PC-id_70953184	624.796	GVEABOOADYWZJH-QCAMCUJPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164257
s1c2C(CC(c2cc1C(=O)Nc1c(c(c2nc(Nc3ccc(C4N(CCN(C4=O)C)C)cc3)c(=O)n(c2)C)ccc1)C)CC)C	PC-id_77968226	624.796	GVEABOOADYWZJH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164258
CCCCCCCCCCCCC(C(=O)OCCCN1C(C)Nc2n1ncc2)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	SCHEMBL10831107,PC-id_136147881	624.94	GIOVMTCOYZWKJD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164259
CCCC[Si](On1c[n+]2c(n1)CC[C@H]2C(c1ccccc1)(c1ccccc1)Oc1ccccc1C(C)C)(CCCC)CCCC	PC-id_101526064	624.95	ANCCZUVPLVNIAC-QNGWXLTQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164260
COc1cc(cc(c1)OCCCC(=O)OC(C)(C)C)NC(C(=O)N1CCc2c1cc(s2)C(F)(F)F)c1ccc(cc1)Cl	PC-id_142476970	625.099	DUYHWQOTDZYADY-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164261
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)OC	PC-id_3562096	625.324	AMUKZMBRWXEGJU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164262
CCC(=O)N[C@H](CC1=CC(=C(C=C1)NC(=O)[C@H](C2CCCCCC2)NC(=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C	PC-id_155035988	625.328	ZHDPBLVRLVDKIG-OFSOJUDTSA-N	00000010100010110101000010000000000000000000000000000000	25-01-164263
Cc1nc(c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1c(Cn2cc(c3c(F)cncc3F)nn2)nn2c1CCC2	ZINC22_2325830816	625.49	RRLVRAXBISICGY-AWEZNQCLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164264
Cc1nc(c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1c(Cn2cc(c3c(F)cncc3F)nn2)nn2c1CCC2	ZINC22_2325830817	625.49	RRLVRAXBISICGY-CQSZACIVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164265
Fc1c(OC)c(Oc2ccc(CN3CCN(CC3)c3ccc(OC[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc(F)c1F	PC-id_46181149	625.595	NFKUUKDMWOIQOZ-WJOKGBTCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164266
Fc1c(OC)c(Oc2ccc(CN3CCN(CC3)c3ccc(OCC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc(F)c1F	PC-id_75164624	625.595	NFKUUKDMWOIQOZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164267
FC(F)(F)Oc1ccc(Oc2ccc(CN3CCN(CC3)c3ccc(OCC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc1	PC-id_11273604,SCHEMBL1754225	625.595	RSJHGGNPECPRKN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164268
FC(F)(F)Oc1ccc(Oc2ccc(CN3CCN(CC3)c3ccc(OC[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc1	PC-id_11444992,SCHEMBL1753947	625.595	RSJHGGNPECPRKN-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164269
FC(F)(F)Oc1ccc(Oc2ccc(CN3CCN(CC3)c3ccc(OC[C@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc1	SCHEMBL2089220,PC-id_11157884	625.595	RSJHGGNPECPRKN-PMERELPUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164270
FC(F)(F)Oc1ccc(Oc2ccc(NC3CCN(CC3)c3ccc(OC[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc1	SCHEMBL2094036,PC-id_67275236	625.595	NHOINPQOZFYWID-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164271
FC(F)(F)Oc1ccc(Oc2ccc(NC3CCN(CC3)c3ccc(OCC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc1	SCHEMBL2094037,PC-id_67275237	625.595	NHOINPQOZFYWID-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164272
CC(COC)N(c1c(ccc(c1)N1CCN(CC1)C)C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)O)C(=O)O)C(=O)C(F)(F)F	PC-id_91608709	625.597	ZJRYTVVCQCVDFF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164273
CN1CC(C1)Oc1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009442,SCHEMBL1372306	625.646	LIVHUFLSWSEOIK-UHFFFAOYSA-N	00001010110000110001000010000000000000000000000000000000	25-01-164274
CN1CC(C1)Oc1ccc(c(c1)NC(=O)c1c[nH]cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010342,SCHEMBL1374707	625.646	KHRVJNHFDOVHME-UHFFFAOYSA-N	00001010110000110001000010000000000000000000000000000000	25-01-164275
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1ccc[nH]1)N1CCOCC1	PC-id_16665444,SCHEMBL1371979	625.646	BCYSPKZZBJZGCT-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164276
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1c[nH]cc1)N1CCOCC1	PC-id_67009652,SCHEMBL1372777	625.646	VRKNSVYNPBGIFJ-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164277
CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n(nc2Nc1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)[O-])C	SCHEMBL17872161,PC-id_121438561	625.654	FGBACCNIPZDNBV-UHFFFAOYSA-M	00000010100000110001000010000000000000000000000000000000	25-01-164278
CN1CCN(CC1)c1ccc(c(c1)NCc1ccco1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749838,SCHEMBL1374405	625.689	VHNCICPAMYPPSB-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-164279
CN1CCN(CC1)c1ccc(c(c1)NCc1ncc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749897,SCHEMBL1373523	625.693	TVPKBSZMQVNSNZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164280
CCCCCCOC(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccccc1NC(=O)c1cccn1C)occ2)C(=O)N(CC)c1ccccc1	SCHEMBL15153382,PC-id_89723936	625.694	KMZAFNQEEBZMRZ-UHFFFAOYSA-O	00000011110000110001000010000000000000000000000000000000	25-01-164281
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCCO1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	SCHEMBL1374392,PC-id_67010243	625.714	ZLEXRRJRYFCVRP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164282
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1ccc(cc1)OCC	MCULE-5009941184,PC-id_4103812,EMOLS-id_22701228	625.782	LYJLKPJFSNRZPF-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164283
Cc1onc(n1)c1ccc(c(c1)NCC(=O)N(CC(=O)N(N1Cc2c(C1)ccs2)C)CCN(C(=O)OC(C)(C)C)C(C)C)C	PC-id_66881419,SCHEMBL1027444	625.782	LXJHPEGBDSJOEY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164284
CCOc1ccc(cc1)n1c(nnc1CNC(=O)c1cccs1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	CoCoCo_2662211,PC-id_98229747	625.782	LYJLKPJFSNRZPF-KRWDZBQOSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164285
CCOc1ccc(cc1)n1c(nnc1CNC(=O)c1cccs1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C	PC-id_98229748,CoCoCo_2662212	625.782	LYJLKPJFSNRZPF-QGZVFWFLSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164286
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)Cc2ccc(cc2)OC)n1C1CCCCC1	EMOLS-id_24429368,MCULE-7242660203,PC-id_4347357	625.802	ZJLRXTFDWPGXGL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164287
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98359302,CoCoCo_2662036	625.802	ZJLRXTFDWPGXGL-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164288
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98359304,CoCoCo_2662035	625.802	ZJLRXTFDWPGXGL-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-164289
C=CCCc1cc2c(n1S(=O)(=O)c1ccc(cc1)C)C(=O)[C@@H]([C@@H]2C(C)C)C(O[Si](C(C)C)(C(C)C)C(C)C)CCCC=C	PC-id_102148143	625.977	PUWSZAWLKWBDES-VYXDYGHXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164290
S(=O)(=O)(n1c2c(C(C(C(O[Si](C(C)C)(C(C)C)C(C)C)CCCC=C)C2=O)C(C)C)cc1CCC=C)c1ccc(cc1)C	PC-id_85352056	625.977	PUWSZAWLKWBDES-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164291
S(=O)(=O)(n1c2c([C@@H]([C@@H](C(O[Si](C(C)C)(C(C)C)C(C)C)CCCC=C)C2=O)C(C)C)cc1CCC=C)c1ccc(cc1)C	PC-id_10974189	625.977	PUWSZAWLKWBDES-PRIWKQAOSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164292
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661751,EMOLS-id_24429310,PC-id_5186099,MCULE-3837266760	626.146	QUBKBSQIVIQONK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164293
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22699746,MCULE-3045911821,CoCoCo_2661083,PC-id_5046342	626.146	NTCQVXINENZMNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164294
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-1555690673,CoCoCo_2661610,PC-id_3320823,EMOLS-id_22700606	626.146	RVZAKDINIALEKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164295
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-4631978320,CoCoCo_2661390,EMOLS-id_22700260,PC-id_5130196	626.146	YMFJBBZPPNYALY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164296
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)CC1=CC(=CCC1)COCCOS(=O)(=O)C	PC-id_163996739	626.202	UFIGMFAPCYDIRC-UHFFFAOYSA-N	00000010100011110001000010000000000000000000000000000000	25-01-164297
CC1(CC(=O)C2=C1C(=NN2CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=C)N)C(F)(F)F)C	PC-id_160534078	626.212	YHEVGEVPUOKWME-HXUWFJFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164298
CCC(=O)N[C@H](CC1=CC(=C(C=C1)NC(=O)[C@@H](CC(=O)C2=C3N(CCS3)N=C2)C4CCCCC4)F)C(=O)N5CCN(CC5)C	PC-id_161511881	626.305	CAULGUSADGGZCI-WNCULLNHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164299
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)N[C@@H]2CCC[C@H](C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942113	626.369	KLTYATCANCVGOX-OQUGLUERSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164300
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)N[C@H]2CCC[C@H](C2)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942122	626.369	KLTYATCANCVGOX-JJFBLWSZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164301
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)cc(OC(F)(F)F)c1	PC-id_24946263	626.458	WWQKQUJAXMGKID-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164302
n12nc(nc1sc(=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2=O)Cc1ccccc1	MCULE-1825709496	626.502	ATBLYRPBPJTUQG-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-164303
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)NC(c1ccc(cc1)C(=O)OC)C)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758756	626.59	OPBBODBKMPNTOU-IMMUGOHXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164304
CCCCOC[C@@H]1CN(c2n1nc(c2C(=O)N[C@H](c1ccc(cc1)C(=O)OC)C)C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18758732	626.59	OPBBODBKMPNTOU-MBSDFSHPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164305
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1NC(=O)c1cccn1C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373022,PC-id_67009750	626.631	UXIZKJTZEIUAID-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164306
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)CC1=CC(=CCC1)COCCOS(=O)(=O)C)C	SCHEMBL18758465	626.644	UFIGMFAPCYDIRC-SFHVURJKSA-N	00000010100011110001000010000000000000000000000000000000	25-01-164307
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(nn2C(=O)O)Nc1cc(ccc1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_137497871,SCHEMBL20741127	626.662	FGBACCNIPZDNBV-AREMUKBSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164308
CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n(nc2Nc1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O)C	PC-id_121438562,SCHEMBL20741131	626.662	FGBACCNIPZDNBV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164309
CCCCCCOC(=O)N1c2c(C(N1)(C(=O)N(CC)c1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccn1C)occ2	SCHEMBL15153381,PC-id_89723935	626.702	CTFPUNKUFFYPLC-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164310
Brc1cccc(n1)CCCCCC(C(=O)N1Cc2c(C1)c(nn2COCC[Si](C)(C)C)N)(Cc1ccccc1)C	PC-id_58201349,SCHEMBL12747898	626.703	GPLUGYLQGJUODH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164311
CC1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_140141769	626.717	MIRROSXEJJWALQ-UHFFFAOYSA-N	00001010100010110001100010000000000000000000000000000000	25-01-164312
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1sccc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947673	626.727	IFJVTKUOTJASAA-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164313
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	ZINC22_100817248,EMOLS-id_30102970,PC-id_3424964,MCULE-6933925363,CoCoCo_4978169	626.747	NYZVCWNOMZJRSE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164314
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)N(=O)=O)n1C1CCCCC1	MCULE-2190319795,EMOLS-id_22701006,PC-id_4421673	626.747	ARKCKBSXBBIZJN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164315
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	CoCoCo_2661912,PC-id_98141919	626.747	ARKCKBSXBBIZJN-KRWDZBQOSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164316
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	PC-id_98141918,CoCoCo_2661911	626.747	ARKCKBSXBBIZJN-QGZVFWFLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164317
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCCC(C1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	PC-id_121443503,SCHEMBL17878152	626.748	NSNSOQXAJIRWNM-LFHRXCRSSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164318
OCc1c(ccnc1N(CCn1c(C=O)cc2c1CC(C2)(C)C)C)c1cn(C)c(=O)c(c1)Nc1nn(c(c1)C(=O)N1CCCC1)C	SCHEMBL21018336,PC-id_138649960	626.748	PMMDFLQZMSSNJC-UHFFFAOYSA-N	00000010100000101001100010000000000000000000000000000000	25-01-164319
OCCc1cc(ccc1OC(=O)C)[C@H](CNCCCCCCOCCOCc1cccc(c1)NCc1cn2c(n1)SCC2)O	PC-id_66845693,SCHEMBL926354	626.807	QWHASJUBJTVQQA-HKBQPEDESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164320
S1CCn2c1nc(c2)CNc1cc(COCCOCCCCCCNCC(O)c2cc(CCO)c(OC(=O)C)cc2)ccc1	PC-id_77195893	626.807	QWHASJUBJTVQQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164321
C1C2=CN(N=C2CN1C(=O)C(C3=CC=CC=C3F)OCCPI)SC4=NN(C=C4)CC(F)(F)F	PC-id_164872223	626.998	CNRCPZRDFKAVGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164322
CCCCCCc1c(sc(c1)C(C)(CC)CC)C(C)(CC)C(C)NC(CC)(CC)c1cc2c(s1)C(CC2CC[CH2-])(C)CC	PC-id_91176979	627.105	ZHEQIKNUFSBIST-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-164323
Clc1cc(S(=O)(=O)N2C(c3n[nH]c(c3C2)CC(=O)c2c(NC3CCOCC3)cc(N3CCN(CC3)C)cc2)(C)C)ccc1	PC-id_58524067	627.197	AMZOJTSGOAUFHX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164324
s1c2c(nc1NC(=O)[C@H](NC(=O)[C@@H](N)CCC(=O)N(CCN)CCN)CCc1ccc(cc1)C(F)(F)F)C(OB2O)(C)C	PC-id_60163138	627.487	WFXASQVEFRYDTQ-ZWKOTPCHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164325
s1c2c(nc1NC(=O)C(NC(=O)C(N)CCC(=O)N(CCN)CCN)CCc1ccc(cc1)C(F)(F)F)C(OB2O)(C)C	PC-id_72669489	627.487	WFXASQVEFRYDTQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164326
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(c(cc1C(=O)N)N(C)C)n1cccc1C(=O)O	SCHEMBL1373125,PC-id_67009792	627.619	NETXBLUYUTULCJ-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-164327
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(n2ccc(c2)C(=O)O)c(cc1C(=O)N)N(C)C	PC-id_67009304,SCHEMBL1372007	627.619	PGLMCJHNYHEEBE-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-164328
c1(NC(=O)CCCS(=O)(=O)c2nc(c3ccc(c(OC)c3)OC)cc(C(F)(F)F)n2)sc2c(CCC2)c1C(=O)OCC	ZINC22_98043171,EMOLS-id_7709674,TIMTEC253959,PC-id_17382042,CoCoCo_2005131,MCULE-8840202536	627.652	JYZHXDUCRSOTOR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164329
CN(CCOc1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	SCHEMBL1374092,PC-id_67010161	627.662	SQMWJAHOSPCKEZ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164330
CN(CCOc1ccc(c(c1)NC(=O)c1c[nH]cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	PC-id_67010158,SCHEMBL1374088	627.662	JAEUSERTHFNZQB-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164331
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL4281346,PC-id_57703885	627.705	CLLHNYUOQUNRRT-UHFFFAOYSA-N	00001010100010110001100010000000000000000000000000000000	25-01-164332
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCNCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524072	627.748	VCQMXFPGCLQIES-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164333
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC[C@@H]2NCCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524038	627.748	VHJKBXWVKLLWFH-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164334
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC[C@H]2NCCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524057	627.748	VHJKBXWVKLLWFH-QFIPXVFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164335
CCN(c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1ccccc1F)CCN(C)C	PC-id_68332616,SCHEMBL12640226	627.773	LOTHFUOITAFVAZ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164336
CCN(c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F)CCN(C)C	SCHEMBL12640084,PC-id_68332603	627.773	LVJWAXHVTBSVAQ-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164337
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_24429298,PC-id_5244007,CoCoCo_2661663,MCULE-9838486282	627.775	OGTQTMCCWICGCQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164338
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_24429226,CoCoCo_2661226,PC-id_3638182,MCULE-8517123017	627.775	MBWVQNUHDJACFU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164339
C=C/C=C
/C(=O)/C(=Cc2sc3c(c2)C(/C(=C/c2ccc(cc2)C(C)(C)C)/C/3=CNc2ccc(cc2)C(C)(C)C)(C)C)/C(=O)/C1=C/C	PC-id_145410888	627.877	GKIZPSNQWOWCAP-BKCQKXHQSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164340
c1(C(=O)Nc2sc3CCCc3c2C#N)c(c(Br)c(Br)c(Br)c1C(=O)O)Br	MCULE-5025290319,EMOLS-id_327748551	627.927	FOBUQABXFGPTMJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164341
CCCCCCc1c(sc(c1)C(C)(CC)CC)C(C)(CC)C(C)NC(CC)(CC)c1cc2c(s1)C(CC2CCC)(C)CC	PC-id_91176980	628.113	JGFKODCHUUCIKI-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-164342
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3F)Cl)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-9945482421,EMOLS-id_22699946,CoCoCo_2661200,PC-id_4383458	628.137	DUGCCJKHBMMUDJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164343
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2c(F)cccc2Cl)n1Cc1ccccc1	CoCoCo_2661191,EMOLS-id_22699928,PC-id_4050001,MCULE-2984736342	628.137	LRLHSVLXANOUTB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164344
Clc1cc(S(=O)(=O)N2C(c3[nH]nc(NC(=O)c4c(NC5CCOCC5)cc(N5CCN(CC5)C)cc4)c3C2)(C)C)ccc1	SCHEMBL1374574,PC-id_16665602	628.185	LHPQCSDVZGIAOO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164345
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c(nn2c1[N+](N=O)(CC2)Cc1cccc(c1)I)C(F)(F)F)C	SCHEMBL18758578	628.362	CWFJXPZDKMCNEW-CXHKVZMHSA-O	00000010100000110001000010000000000000000000000000000000	25-01-164346
IC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1OC)NC(=O)C=C	PC-id_121444001,SCHEMBL17878737	628.461	ZIYHFDZKANMBCV-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164347
CC1(c2c(CN1C(=O)NC1CC1c1ccccc1)c(n[nH]2)Nc1nc(nc(n1)N1CCCC1C(=O)N)I)C	PC-id_89096587	628.468	ABUYLBDFGAZQSF-UHFFFAOYSA-N	00100010100000110001100010000000000000000000000000000000	25-01-164348
Ic1nc(Nc2n[nH]c3c2CN(C3(C)C)C(=O)NC2C[C@@H]2c2ccccc2)nc(n1)N1CCC[C@H]1C(=O)N	SCHEMBL13470600	628.468	ABUYLBDFGAZQSF-AQYZNVCMSA-N	00100010100000110001100010000000000000000000000000000000	25-01-164349
Brc1c(C(=O)Oc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)/C)cc2)cccc1	PC-id_19659613	628.491	FFMWNGOSOOEEGO-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164350
Brc1c(C(=O)Oc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)cc2)cccc1	PC-id_73634097	628.491	FFMWNGOSOOEEGO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164351
Brc1c(OCc2c(cccc2)C)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_4228829	628.534	VNZNQXDSCITGKG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164352
Brc1c(OCc2ccc(cc2)C)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_5013328	628.534	ZRKGCUDEUVNCND-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164353
Brc1c(OCc2c(cccc2)C)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_9653978	628.534	VNZNQXDSCITGKG-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164354
Brc1c(OCc2ccc(cc2)C)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_9688761	628.534	ZRKGCUDEUVNCND-IBBHUPRXSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164355
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3C(Cc4cccc(Br)c4)N(Cc4ccc(F)cc4)Cc3s2)cc1	BindingDB_PC-id_87056443,SCHEMBL16213573,BindingDB-id_722814,PC-id_87056443	628.575	GWENKYVRTPYCJR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164356
CC1CC(=O)N(C1=O)CC(C)c1nn2c(n1)c(=Cc1c([nH]n3c1nc(n3)C(C)CN1C(=O)CC(C1=O)C)C(C)(C)C)c(n2)C(=C)C	PC-id_89211720	628.725	UMHQMSQNRAMARR-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-164357
O=C1CC(C(=O)N1CC(c1nn2c(n1)c(=Cc1c3[nH]c(nn3nc1C(C)(C)C)C(CN1C(=O)CC(C1=O)C)C)c(n2)C(=C)C)C)C	SCHEMBL13965216	628.725	VAKKPKXTWUPAJO-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-164358
CCS(=O)(=O)c1ccc(cc1c1ccccc1)CC(=O)Nc1nc2c(s1)CN([C@@H]2C(C)C)Cc1ccnc(c1)C(F)(F)F	SCHEMBL19771981,PC-id_134170813	628.728	RMAVNVBMBBLLMQ-GDLZYMKVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164359
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524117	628.733	ZOAKFGVANLJOQC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164360
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1c(F)cccc1F	PC-id_58524121	628.733	LRDQDTBDHBDMMC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164361
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC[C@@H]2N(CCC2)C)cc(N2CCOCC2)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524091	628.733	HFWRZVFWGXKYNE-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164362
CN1CCN(CC1)c1ccc(c(c1)NC1CCNCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749866,SCHEMBL1371449	628.736	IHSJCTUMVFFNPH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164363
CN1CCN(CC1)c1ccc(c(c1)NCC1CCCN1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67008934,SCHEMBL1372502	628.736	GEEMQDKEJUAEOJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164364
CN1CCN(CC1)c1ccc(c(c1)NC[C@@H]1CCCN1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749890,SCHEMBL1372494	628.736	GEEMQDKEJUAEOJ-NRFANRHFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164365
CN1CCN(CC1)c1ccc(c(c1)NC[C@H]1CCCN1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372498,PC-id_57749840	628.736	GEEMQDKEJUAEOJ-OAQYLSRUSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164366
N#CCC(=O)N1CC[C@H]([C@H](C1)N(C1=c2ccn(c2=NC1CC)C(=O)OCCOC(=O)CCCCCNC(=O)OC(C)(C)C)C)C	PC-id_117724564,SCHEMBL16273482	628.76	KMFJGVCFCCNIDA-KIDMSAQOSA-N	00000010100010000000000010000000000000000000000000000000	25-01-164367
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)Nc1nn(c(c1)CN(C1COC1)C)C)CCn1c(C)cc2c1CC(C2)(C)C	SCHEMBL21018328,PC-id_138649953	628.764	PSUPFROSAOOZQW-UHFFFAOYSA-N	00001010100000101001100010000000000000000000000000000000	25-01-164368
CC(C)(CCCOC(=C=C)c1cnccc1)OCCCOC(C)(C)CCCOC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_90784516	628.798	OMGZQYOAGDEEME-UHFFFAOYSA-N	00000010100000111000000010000000000000000000000000000000	25-01-164369
CCCCCCc1c(sc(c1)C(C)(CC)CC)C(C)(CC)C(C)CC(CC)(CC)c1cc2c(s1)C(CC2CCO)(C)CC	PC-id_90950113	629.097	NJALPJQSMUXASF-UHFFFAOYSA-N	00000010100100000000000010000000000000000000000000000000	25-01-164370
CC1(CC(=O)c2c1c(nn2CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F)C	SCHEMBL20371675,PC-id_135215905	629.552	CUVVORARUSSMNH-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164371
CC(c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740144	629.574	ZPGSEUYIAIQFOP-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-164372
C[C@@H](c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740142	629.574	ZPGSEUYIAIQFOP-HNNXBMFYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-164373
Clc1c(NC(=O)N2C(c3[nH]nc(NC(=O)c4c(N[C@H](COC)C)cc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)ccc1	PC-id_68661026,SCHEMBL3485398	629.581	DJGQSJCCJYZFLM-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164374
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)N1CCOCC1)NC(=O)C1CCCN1)C	PC-id_89857872	629.678	RKCVAMCLOCJMLM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164375
O=C([C@@H]1CCCN1)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	PC-id_24751744,SCHEMBL13857366	629.678	RKCVAMCLOCJMLM-QHCPKHFHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164376
O=C([C@H]1CCCN1)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	SCHEMBL15327743	629.678	RKCVAMCLOCJMLM-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164377
CC(C)[C@H]1c2c(CN1Cc1ccc(cc1)C(F)(F)F)sc(n2)NC(=O)Cc1ncc(cn1)S(=O)(=O)CCc1ccccc1	SCHEMBL19771954,PC-id_134170786	629.716	IDDXIZLZSWYFAL-NDEPHWFRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164378
CC(C)[C@H]1c2c(CN1Cc1cnc(nc1)C(F)(F)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CCc1ccccc1	SCHEMBL19771900,PC-id_134170733	629.716	KYMSBNODOINGEO-SANMLTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164379
C[C@H](C1CCCN1)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	SCHEMBL1372789,PC-id_67009658	629.721	IDLKQMVQSGAWFI-YDONVPIESA-N	00000010100010110001100010000000000000000000000000000000	25-01-164380
CN1CCCC1CNc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	SCHEMBL12576227,PC-id_57749841	629.721	FTDZGEJWGBQABM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164381
CN1CCC[C@@H]1CNc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	SCHEMBL1372782,PC-id_67009656	629.721	FTDZGEJWGBQABM-JOCHJYFZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164382
CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371721,PC-id_16665600	629.721	CUASOLHXIZJVLC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164383
CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1c(F)cccc1F	SCHEMBL1371269,PC-id_57749843	629.721	PXSXCHARXDGSFV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164384
CCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1895099,PC-id_67203270	629.792	AWISBACOQSOCMN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164385
CCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_44519303,SCHEMBL1895097	629.792	ZFHWXNIADMJZHV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164386
CCSc1n(CCF)c(=S)n(c1SN1Sc2c(S1)n(c(=S)n2C(C)C)CC(C(F)(F)F)(F)F)C(C)C	PC-id_144471739	629.816	LSSLQZGBSJYKQV-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-164387
CCC1=Nn2c(nc(n2)C(C)C)/C/1=Nc1c(c(c2n1[nH]c(n2)C(C)(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C#N	PC-id_136937263	629.839	HILMOBQWFKQFHD-QEOQBAOWSA-N	00000011100010000001000110000000000000000000000000000000	25-01-164388
N#CC1=C(C(=O)OC2C(CC(CC2C(C)(C)C)C)C(C)(C)C)c2n(/C/1=Nc1c(CC)nn3c1[nH]c(n3)C(C)C)nc(n2)C(C)(C)C	SCHEMBL17590193	629.839	RZFZINUNHRTGSD-FSUXQIQLSA-N	00000011100010000001000110000000000000000000000000000000	25-01-164389
Cc1c(n2CCCc2c1C(=O)C(=O)NCCC(CCC(=O)NC1(CS(=O)(=O)C1)C)(F)F)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_164118188	630.153	YDBZTBVZZAHESK-UHFFFAOYSA-N	00001010100000110000000010000000000000000000000000000000	25-01-164390
CC1CCC(N1S(=O)(=O)C2=C3C=CCN3C(=C2C)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278728	630.206	KSZNSCDHEWQFNT-UHFFFAOYSA-N	00000011100000111001100010000000000000000000000000000000	25-01-164391
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-6029115310,PC-id_4276189,EMOLS-id_22700414,CoCoCo_2661492	630.533	GFTDPDVIOJOAPZ-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-164392
CC(=O)N1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	SCHEMBL17060760,PC-id_89369864	630.54	UTZMCWQLJHFGOK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164393
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1CN(C2)C(=O)C)C(F)(F)F	SCHEMBL14555372	630.54	UTZMCWQLJHFGOK-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164394
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)S(=O)(=O)c1cc(F)cc(c1)F)NC(=O)c1c(F)cccc1NC(=O)c1[nH]ccc1	SCHEMBL1374649,PC-id_67010324	630.595	YMBZCFPWQHZSJI-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164395
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)NCC(COCP(=O)(OCc1ccccc1)OCc1ccccc1)(C)C	PC-id_59810261,SCHEMBL13652919	630.667	ZVWQWAHTGCCHNC-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164396
S(=O)(=O)(O)c1c(C(=O)Nc2ccc(OCCCc3nc4n(N=C(C(C)(C)C)/C/4=N/Nc4n(ncc4[N+]#[C-])C)n3)cc2)cccc1	PC-id_21032555	630.678	YYDDIFQQXVHUJQ-BCJTWVECSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164397
S(=O)(=O)(O)c1c(C(=O)Nc2ccc(OCCCc3nc4n(N=C(C(C)(C)C)C4=NNc4n(ncc4[N+]#[C-])C)n3)cc2)cccc1	PC-id_58650658	630.678	YYDDIFQQXVHUJQ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164398
CN(CC(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)C	PC-id_57703870,SCHEMBL4278094	630.709	VIIIMTJXXIQMAP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164399
COCCN1CCN/C(=CC(=Nc2cc(cn(c2=O)C)c2ccnc(c2CO)N(CCn2c(C)cc3c2CC(C3)(C)C)C=O)N)/C1	PC-id_138649808,SCHEMBL21018175	630.78	MCNUZUFBHNYUCI-QQXSKIMKSA-N	00000010100010101001100010000000000000000000000000000000	25-01-164400
CCc1nn2c(nc(n2)C(C)C)c1=Cc1c(n(c2[n+]1[nH]c(n2)C(C)(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C#N	PC-id_137153733	630.846	LGJFDUVHFZTDRG-UHFFFAOYSA-O	00000000100010000001000110000000000000000000000000000000	25-01-164402
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)CC(c1ccccc1)COCc1ccccc1)NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817091	630.849	HCFIGOARMSGKKL-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-164403
O=C([C@@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)[C@@H](c1ccccc1)O[Si](C(C)(C)C)(C)C	PC-id_66924459,SCHEMBL1155514	630.892	IKZCCSNUZLCJKG-MLMSKLGMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164404
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)[C@@H](c1ccccc1)O[Si](C(C)(C)C)(C)C	SCHEMBL1155020,PC-id_66924273	630.892	IKZCCSNUZLCJKG-SYEZAVJTSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164405
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@](N1C(=O)O)([C@@H](c1ccccc1)O[Si](C(C)(C)C)(C)C)C(C)(C)C	SCHEMBL1155023,PC-id_66924274	630.892	WNVIQGZOQHXSNH-AASZUPBJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164406
O=C([C@@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@](N1C(=O)O)([C@@H](c1ccccc1)O[Si](C(C)(C)C)(C)C)C(C)(C)C	SCHEMBL1155515,PC-id_66924460	630.892	WNVIQGZOQHXSNH-REYBDAFNSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164407
[Si](OC(C1N(C(CC1)Cc1ccc(NC(=O)C2n3nccc3CC2)cc1)C(=O)OC(C)(C)C)c1ccccc1)(C(C)(C)C)(C)C	PC-id_77217756	630.892	IKZCCSNUZLCJKG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164408
[Si](OC(C1(N(C(CC1)Cc1ccc(NC(=O)C2n3nccc3CC2)cc1)C(=O)O)C(C)(C)C)c1ccccc1)(C(C)(C)C)(C)C	PC-id_77217757	630.892	WNVIQGZOQHXSNH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164409
CCCCCCCCN(c1ccc(s1)/C=c/1c2nnc(n2nc1C(C)(C)C)C/N=C/c1ccccc1O)CCCCCCCC	SCHEMBL13987996	630.929	CJYVFRZNSJWVRP-IHCXYADWSA-N	00000000100100110001000010000000000000000000000000000000	25-01-164410
CCCCCCCCN(CCCCCCCC)c1ccc(s1)/C=c
/c(nn2c1nnc2CN=Cc1ccccc1O)C(C)(C)C	PC-id_135967430	630.929	CJYVFRZNSJWVRP-MRGROBGCSA-N	00000000100100110001000010000000000000000000000000000000	25-01-164411
CCCCCCCCN(CCCCCCCC)c1ccc(s1)C=c1c(nn2c1nnc2C=NCc1ccccc1O)C(C)(C)C	PC-id_90889342	630.929	ZZHDYYSULQAWCW-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-164412
s1c(N(CCCCCCCC)CCCCCCCC)ccc1/C=c
/c(nn2c1nnc2CN/C=C
/C(=O)C=CC=C1)C(C)(C)C	PC-id_58636243	630.929	CNXVVWXOCLHKKB-DKNYZITQSA-N	00000000100111000001000010000000000000000000000000000000	25-01-164413
s1c(N(CCCCCCCC)CCCCCCCC)ccc1/C=c
/c(nn2c1nnc2CNC=C1C(=O)C=CC=C1)C(C)(C)C	PC-id_71045856	630.929	CNXVVWXOCLHKKB-LVHDLLCJSA-N	00000000100111000001000010000000000000000000000000000000	25-01-164414
s1c(N(CCCCCCCC)CCCCCCCC)ccc1C=c1c(nn2c1nnc2CNC=C1C(=O)C=CC=C1)C(C)(C)C	PC-id_72376720	630.929	CNXVVWXOCLHKKB-UHFFFAOYSA-N	00000000100111000001000010000000000000000000000000000000	25-01-164415
C=C[C@@H]1CC(c2c1c(nn2CC(=O)NC(c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F)C(F)F)(F)F	PC-id_144505585	631.543	GWNOZOSPGAMEID-ADRQNKRLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164416
C[C@@H]1[C@@H](c2c([C@H]1O)n(nc2C(F)(F)F)CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C	SCHEMBL20371634,PC-id_135215869	631.568	GPFRHKWEFTZONZ-PJDSHVDKSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164417
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1[C@H](O)C([C@@H]2C)C)C(F)(F)F	PC-id_139373031	631.568	GPFRHKWEFTZONZ-IBFSRPRNSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164418
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1[C@@H](O)[C@H](C2C)C)C(F)(F)F	SCHEMBL18854174	631.568	GPFRHKWEFTZONZ-QLGNEMIDSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164419
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1[C@H](O)[C@@H]([C@@H]2C)C)C(F)(F)F	SCHEMBL21226936	631.568	GPFRHKWEFTZONZ-DDATYGTOSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164420
C1CN(CCN1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)CCNC(=O)c1cncn(c1=O)Cc1cc(c(cc1)F)F	PC-id_91492407	631.633	PPWUXDJSGGGWSG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164421
C1CN(CCN1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)CCNC(=O)c1nccn(c1=O)Cc1cc(c(cc1)F)F	PC-id_91461686	631.633	WCCIVLKDLSPHCL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164422
CN(CCN(c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	PC-id_67010232,SCHEMBL1374353	631.737	MFQJHGHHIVJJAU-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164423
COCC[C@H](Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)C	PC-id_67009997,SCHEMBL1373697	631.737	MNOJOFPAGLZNLD-LJQANCHMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164424
COCC[C@@H](Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)C	SCHEMBL1370655,PC-id_67008816	631.737	MNOJOFPAGLZNLD-IBGZPJMESA-N	00000010100010110001100010000000000000000000000000000000	25-01-164425
COCCC(Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)C	SCHEMBL1371828,PC-id_67009215	631.737	MNOJOFPAGLZNLD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164426
O=CN(c1nccc(c1CO)c1cn(C)c(=O)c(c1)N=C(/C=C/1NCCN(C1)C(=O)C)N)CCc1c(C)sc2c1CC(C2)(C)C	PC-id_138649790,SCHEMBL21018157	631.788	NARJEFCBKBVPHQ-QRVIBDJDSA-N	00000010100010101001100010000000000000000000000000000000	25-01-164427
CCCCCCCOC(=O)N1c2c(ccs2)C(N1)(C(=O)N(CC)c1ccccc1)NC(=O)c1ccc(cc1)CN1CCCCC1	PC-id_89724013,SCHEMBL15153488	631.828	BVSCIQRKRRRXKS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164428
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)[Si](C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)COCc1ccccc1	PC-id_140817141	631.837	UNXBSDXEIQMLDY-HHHXNRCGSA-N	00001010100000110001000010000000000000000000000000000000	25-01-164429
O=C([C@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)[C@@H](c1cccnc1)O[Si](C(C)(C)C)(C)C	PC-id_58125209,SCHEMBL12862637	631.88	PUYWXLYRUJWBFJ-UJOGNLFBSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164430
O=C([C@@H]1CCc2n1ncc2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)[C@@H](c1cccnc1)O[Si](C(C)(C)C)(C)C	SCHEMBL12862640,PC-id_58125121	631.88	PUYWXLYRUJWBFJ-XFBWMNOSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164431
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3F)Cl)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	MCULE-6475676559,EMOLS-id_22699918,PC-id_5048522,CoCoCo_2661186	632.101	RLNFVTKTCCPTIU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164432
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2C2CCCCC2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_24429264,PC-id_4619428,MCULE-7668980251,CoCoCo_2661417	632.194	YWKKIKOXGFRDRB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164433
C=C(CNC(=O)CS)NCC(=O)NCC(=O)C(CCCS(=O)(=O)NC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3)N	PC-id_162177693	632.209	WBKOYCXTEQUPTR-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164434
C=C(CS)NCC(=O)NCC(=O)NCC(=O)N(C(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3)OCCNCCOS	PC-id_160173100	632.209	XUSVQWMEHCNWBN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164435
CC1CCC(N1S(=O)(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278656	632.222	JPRPOWLGFRJUQY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164436
O=C1N(CCC1N(C(=O)c1scc2c1CCC2)C1=NOC(C1)(c1cc(Cl)c(c(c1)Cl)F)C(F)(F)F)CC(F)(F)F	SCHEMBL16461178,PC-id_117869310	632.378	HSGBEKAJRXPCFN-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164437
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(OCc2ccccc2)cc(c1)C(F)(F)F	SCHEMBL18740239	632.553	CUUYHEFZTKKPPH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164438
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)OCc1ccccc1)C(F)(F)F	PC-id_135360574,SCHEMBL20538927	632.553	CUUYHEFZTKKPPH-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164439
S(=O)(=O)(O)c1cc(c(n2ncc(c2N/N=C/2C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)cc1)C	PC-id_21032597	632.65	DRHFQSUJJREYRT-FEZSWGLMSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164440
S(=O)(=O)(O)c1cc(c(n2ncc(c2NN=C2C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)cc1)C	PC-id_73735497	632.65	DRHFQSUJJREYRT-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164441
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)C)cccc1	PC-id_21032563	632.65	KLZCJNNNLVAPIW-QFMPWRQOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164442
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)C)cccc1	PC-id_58650662	632.65	KLZCJNNNLVAPIW-QLTSDVKISA-N	00000011100000110001100010000000000000000000000000000000	25-01-164443
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)C)cccc1	PC-id_73735470	632.65	KLZCJNNNLVAPIW-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164444
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1N)N1CCOCC1)C(N(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)CC	PC-id_68983765,SCHEMBL4278006	632.679	IDTLRDBTOFAUBC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164445
Cc1ccc(c(c1CCCCC(=O)c1cc2c(s1)CC([C@@H]2O)(C)C)F)c1cc(Nc2nn(c(c2)CN2CCC2)C)c(=O)n(n1)C	PC-id_143996982	632.791	AQYAXGFDPMZJHB-JGCGQSQUSA-N	00001010100000110001100010000000000000000000000000000000	25-01-164446
CCC1CC(=Nc2cc(nn(c2=O)C)c2c(c(c(cc2)F)NC(=O)c2cc3c(s2)CC(C3O)(C)C)C)C=C(N1C)C1CCCN1	PC-id_91558362	632.791	WANCOHHZIJGXHJ-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-164447
Fc1ccc(c(c1CCCCC(=O)c1cc2c(s1)CC([C@H]2O)(C)C)C)c1cc(Nc2nn(c(c2)CN2CCC2)C)c(=O)n(n1)C	PC-id_143997200	632.791	RVZHAKUYAQCYCI-YTTGMZPUSA-N	00001010100000110001100010000000000000000000000000000000	25-01-164448
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(nc(cc1)Cl)NCc1c(cc(cc1)OC)OC)C	SCHEMBL1375194,PC-id_87235500	633.066	AVJCCPABBFTQBH-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164449
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1C(F)(F)C([C@@H]2C)C)C(F)F	PC-id_118357882,SCHEMBL17067133	633.559	GOROELDZGBOKMC-VKKOXPOUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164450
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1cccc(c1)C(F)(F)F	PC-id_4564111,CHEMBL527976,ChEMBL-DNDi_CHEMBL527976,EMOLS-id_22701322,MCULE-6215922828	633.662	YEWJXEZKJMHWGA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-164451
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C(F)(F)F)CNC(=O)c2ccco2)C)sc2c1CCC2	GD-id_ZINC49918072,CoCoCo_2662360,PC-id_94319886	633.662	YEWJXEZKJMHWGA-HNNXBMFYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-164452
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C(F)(F)F)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_94319885,CoCoCo_2662359	633.662	YEWJXEZKJMHWGA-OAHLLOKOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-164453
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2cc(CN3CCCC3)ccc2)cccc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524070	633.708	PSTBACGVKGURRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164454
CCN(CCN(C)C)c1cc(c(cc1)C(=O)Nc1c2CN(C(c2nn1C(=O)OCC)(C)C)S(=O)(=O)c1cc(cc(c1)F)F)N	SCHEMBL13857378,PC-id_89188395	633.71	DCVKQYLUHSAPAR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164455
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)OC)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_3710908,EMOLS-id_22701486,MCULE-6055145750	633.781	GRZSUIGUNRUUSO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164456
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3OC)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_4230733,MCULE-7453308191,EMOLS-id_22701534	633.781	YTSVAIQYAKPDBL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164457
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_5086230,EMOLS-id_22701522,MCULE-8094563869	633.781	ZNNQTNWUYSBJIE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164458
c1(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_5070167,EMOLS-id_24429424,MCULE-9664412276	633.781	GSNSETSDYCRAMK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164459
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661625,PC-id_5079080,MCULE-4419345902,EMOLS-id_22700628	633.781	ZYUWVOFDTQSOBK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164460
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	MCULE-8032579897,CoCoCo_2661790,EMOLS-id_22700900,PC-id_4415930	633.781	MJGYDODFZYNSCJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164461
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)Cc2ccccc2)n1c1ccc(cc1)OCC	MCULE-1692964808,PC-id_4182352,EMOLS-id_22701132	633.781	XYSWRPDVOLSBAE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164462
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)Cc2ccc(cc2)OC)n1c1cccc(C)c1	MCULE-2111718811,EMOLS-id_22701106,PC-id_4686057	633.781	QBCWSBXPWQPZOD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164463
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2Cc2ccccc2)sc2CCCc12	MCULE-4406360973,EMOLS-id_22701090,PC-id_4462731	633.781	KXCVCDBCFXPRDB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164464
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2c2cc(C)ccc2C)sc2CCCc12	MCULE-2579782316,EMOLS-id_22701198,PC-id_3566161	633.781	SDAVWGHVEDDWPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164465
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2c2cccc(C)c2C)sc2CCCc12	MCULE-9205168322,PC-id_4103547,EMOLS-id_22701196	633.781	MSPURMNSJKXXFS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164466
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2C)C)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662157,PC-id_98229739	633.781	MSPURMNSJKXXFS-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164467
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2C)C)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_98229740,CoCoCo_2662158	633.781	MSPURMNSJKXXFS-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164468
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2662039,PC-id_98359176	633.781	QBCWSBXPWQPZOD-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164469
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98359178,CoCoCo_2662040	633.781	QBCWSBXPWQPZOD-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164470
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662077,PC-id_98229708	633.781	XYSWRPDVOLSBAE-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164471
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)Cc2ccccc2)C)sc2c1CCC2	CoCoCo_2662078,PC-id_98229707	633.781	XYSWRPDVOLSBAE-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164472
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662162,PC-id_98229742	633.781	SDAVWGHVEDDWPS-NRFANRHFSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164473
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_98229741,CoCoCo_2662161	633.781	SDAVWGHVEDDWPS-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164474
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2662022,PC-id_98141928	633.781	KXCVCDBCFXPRDB-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164475
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98141929,CoCoCo_2662021	633.781	KXCVCDBCFXPRDB-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164476
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2662602,PC-id_98229894	633.781	GRZSUIGUNRUUSO-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164477
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662647,PC-id_98229685	633.781	ZNNQTNWUYSBJIE-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164478
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	PC-id_98229684,CoCoCo_2662648	633.781	ZNNQTNWUYSBJIE-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164479
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_98229688,CoCoCo_2662659	633.781	YTSVAIQYAKPDBL-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164480
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_98229689,CoCoCo_2662660	633.781	YTSVAIQYAKPDBL-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164481
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	PC-id_98229895,CoCoCo_2662601	633.781	GRZSUIGUNRUUSO-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164482
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662623,PC-id_98358912	633.781	GSNSETSDYCRAMK-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164483
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662624,PC-id_98358911	633.781	GSNSETSDYCRAMK-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164484
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2c2cccc(C)c2C)sc2CCCc12	EMOLS-id_22700076,CoCoCo_2661276,MCULE-6785958207,PC-id_5055193	633.781	CZNXPCXITNKRQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164485
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2c2cc(C)ccc2C)sc2CCCc12	EMOLS-id_22700082,MCULE-2933917350,PC-id_5002054,CoCoCo_2661279	633.781	WBWWUHRHMMRYDL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164486
ClC1c2n(N=C1C)c(nn2)C(C(NC(=O)C(Oc1ccc(S(=O)Oc2ccc(Cc3ccccc3)cc2)cc1)C)(C)C)(C)C	PC-id_54020172	634.188	MBKOADQHTOTRIY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164487
CCCCOC(=O)n1c2c(CN(C2)C(=O)C(c2ccccc2)OC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243071	634.578	MCXLHGYWGSLEKF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164488
CC(C)(C)OC(=O)n1c2c(CN(C2)C(=O)C(c2ccccc2)OC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243087	634.578	FMJSDEAHVQLTOD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164489
CC(C)COC(=O)n1c2c(CN(C2)C(=O)C(c2ccccc2)OC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243120	634.578	DCRKSVCWVHCBJK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164490
CCC(C)OC(=O)n1c2c(CN(C2)C(=O)C(c2ccccc2)OC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243157	634.578	NENNWOXKOXYZTC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164491
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCOCC1)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703886,SCHEMBL1372416	634.608	IMGSDUSTWMRVQH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164492
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCOCC1)CN(C2(C)C)S(=O)(=O)c1cc(F)ccc1F	PC-id_68990200,SCHEMBL4292308	634.608	OXXQBWPISVCUHD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164493
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccccc1NC(=O)c1cccc(c1)CN1CCCC1	SCHEMBL1370631,PC-id_57749844	634.696	ITJRRXPCMARNGQ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164494
CC(=O)n1c2c(C(SC2)CCCCC(=O)OC(=O)CCCCC2c3c(CS2)n(c(=O)n3C(=O)C)C(=O)C)n(c1=O)C(=O)C	PC-id_88810902,SCHEMBL11649766	634.721	KYJTVIJDWCSVER-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-164495
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cccn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	SCHEMBL1373097,PC-id_67009781	634.724	FZKWUDDQULNCJU-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164496
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661175,PC-id_3461914,MCULE-9177596392,ZINC22_150390232,EMOLS-id_22699898	634.726	ASJDIWQLHMAOGN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164499
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_3308381,EMOLS-id_22700878,MCULE-6576662865,CoCoCo_2661777	634.726	MWJWPXXPMWDWES-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164500
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)N(=O)=O)n1c1cccc(C)c1	EMOLS-id_22701010,PC-id_4610725,MCULE-3473100251	634.726	BVNDZBXVAUIKMU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164501
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)[N+](=O)[O-])n2Cc2ccccc2)sc2CCCc12	EMOLS-id_24429350,MCULE-2391696831,PC-id_4626345	634.726	XHHIWIXGGVPOQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164502
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	CoCoCo_2661915,PC-id_99656762	634.726	BVNDZBXVAUIKMU-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164503
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	CoCoCo_2661916,PC-id_99656763	634.726	BVNDZBXVAUIKMU-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164504
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	PC-id_99656732,CoCoCo_2661896	634.726	XHHIWIXGGVPOQT-GOSISDBHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164505
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	PC-id_99656734,CoCoCo_2661895	634.726	XHHIWIXGGVPOQT-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164506
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)[N+](=O)[O-])n2c2cc(C)ccc2C)sc2CCCc12	PC-id_4201458,MCULE-6019526272,EMOLS-id_22699830,CoCoCo_2661137	634.726	MSTBUQNNKRZKFP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164507
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)[N+](=O)[O-])n2c2cccc(C)c2C)sc2CCCc12	PC-id_4618048,CoCoCo_2661134,EMOLS-id_22699824,MCULE-6767571144	634.726	TYZNUZZXUPJUNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164508
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(c3)[N+](=O)[O-])n2Cc2ccccc2)sc2CCCc12	CoCoCo_2661163,ZINC22_150390199,EMOLS-id_22699876,PC-id_3647089,MCULE-4717478960	634.726	DHQXTNFKRDUWGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164509
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1cc(ccc1)C)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947659	634.726	NVCVGTYXLPQUGI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164510
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1cc(c(cc1)C)C)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947740	634.726	QDEUEZAQOITEAG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164511
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947664	634.726	UJEMZPJATMOYSR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164512
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C	SCHEMBL17872121,PC-id_121438525	634.727	FFVHPVSNWQRIJK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164513
CCCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434045	635.586	PSXMTLVZLKOLAO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164530
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)CN(C)C	SCHEMBL17878808,PC-id_121444045	634.727	FFVHPVSNWQRIJK-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164514
Cc1c(c2nc(nn2[nH]1)C(C)CNc1ccc(cc1)N=COC)C=c1c(nn2c1nc(n2)C(C)CNc1ccc(cc1)NC(=O)C)C	PC-id_89129361	634.734	SFHPBFHHFRNIMC-UHFFFAOYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-164515
CO/C=Nc1ccc(cc1)NCC(c1nn2c(n1)/c(=Cc1c(C)nn3c1[nH]c(n3)C(CNc1ccc(cc1)NC(=O)C)C)/c(n2)C)C	SCHEMBL13616156	634.734	QEJGAECYTZQBTQ-JMHKQLSRSA-N	00000000100000110001000110000000000000000000000000000000	25-01-164516
O=C(Nc1ccc(NCC(c2nc3n(n2)nc(c3=Cc2c3n([nH]c2C)nc(n3)C(CNc2ccc(/N=C/OC)cc2)C)C)C)cc1)C	PC-id_57549118	634.734	SFHPBFHHFRNIMC-RWUHTFAYSA-N	00000000100000110001000110000000000000000000000000000000	25-01-164517
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCc2ccccc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524064	634.739	RWBIMGLCEFUGMO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164518
S(=O)(Oc1c(ccc(NS(=O)Oc2c(ccc(c2)C)C)c1)C)NCCc1nc2n(n1)N=C(C2=Nc1ccc(N(C)C)cc1)C	PC-id_20725940	634.772	KUWUAQXZPCNKDT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164519
Brc1c(OCc2ccc(Cl)cc2)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19658714	634.926	XPJZXHKZHNYOTF-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164520
Brc1c(OCc2ccc(Cl)cc2)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73633215	634.926	XPJZXHKZHNYOTF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164521
Brc1c(OCc2ccc(Cl)cc2)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_4232687	634.926	FLOUWYAIEHIAIM-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164522
Brc1c(OCc2ccc(Cl)cc2)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9654211	634.926	FLOUWYAIEHIAIM-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164523
Brc1c(OCc2cc(Cl)ccc2)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19661649	634.926	NZIWLHUUWFZABF-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164524
Brc1c(OCc2cc(Cl)ccc2)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73636080	634.926	NZIWLHUUWFZABF-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164525
Brc1c(OCc2c(Cl)cccc2)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_4126331	634.926	SPGLTEALTDQHDE-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164526
Brc1c(OCc2c(Cl)cccc2)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9648429	634.926	SPGLTEALTDQHDE-VVEOGCPPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164527
CCCCOC[C@H]1S[C@@H](c2cccc(c2)Cc2cc3c(s2)SCC3)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	PC-id_68237313,SCHEMBL12309082	634.996	VISXBSLKUXNULC-RUOAZZEASA-N	00000010100010110000100010000000000000000000000000000000	25-01-164528
S1C(C(OCCCC)C(OCCCC)C(OCCCC)C1c1cc(ccc1)Cc1sc2SCCc2c1)COCCCC	PC-id_77433135	634.996	VISXBSLKUXNULC-UHFFFAOYSA-N	00000010100010110000100010000000000000000000000000000000	25-01-164529
CCCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434044	635.586	PSXMTLVZLKOLAO-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164531
CCC(OC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C	SCHEMBL1434682	635.586	NSFNPYANAGAHFN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164532
CCC(OC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C	SCHEMBL1434681	635.586	NSFNPYANAGAHFN-IAIRZMIISA-N	00000010100010110001100010000000000000000000000000000000	25-01-164533
COC(C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C)c1ccccc1	SCHEMBL1434192	635.586	GNRHHCBNMLYAHM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164534
COC(C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)C)c1ccccc1	SCHEMBL1434452	635.586	YRBQWJMHNRTQCK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164535
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C)c1ccccc1	SCHEMBL1434190	635.586	GNRHHCBNMLYAHM-AREMUKBSSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164536
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)C)c1ccccc1	SCHEMBL1434451	635.586	YRBQWJMHNRTQCK-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164537
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_5060953,MCULE-3179120643,EMOLS-id_22700388,CoCoCo_2661476	635.701	CBKYVYDYRUGRGK-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164538
CN1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749828,SCHEMBL1373389	635.727	AUDKHOGWXHUWGB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164539
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3344597,CoCoCo_2661727,MCULE-7034311563,EMOLS-id_22700792	635.754	ZDIUQNPGDIDAQA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164540
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4285400,MCULE-5865353732,EMOLS-id_22699702,CoCoCo_2661058	635.754	RGDQOHZWTBTXAD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164541
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_3429002,MCULE-1180656968,CoCoCo_2661586,EMOLS-id_22700562	635.754	WKCCYBFZCKLIMN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164542
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700694,MCULE-2324442341,PC-id_4611386,CoCoCo_2661667	635.754	JVOMURTTYKWHQE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164543
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_3364421,MCULE-4954510520,CoCoCo_2661229,EMOLS-id_22699998	635.754	HDYFVBLRFGMYRD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164544
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4101999,CoCoCo_2661363,EMOLS-id_22700212,MCULE-9182728147	635.754	FLKINHCQXWQUNB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164545
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3OC)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_5433841,PC-id_4192781,MCULE-9621980436	635.754	XKYIIFKHHLNQLC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164546
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_22701374,PC-id_4075756,MCULE-5143007363	635.754	UKSFOPNKKKOHMG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164547
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(OC)cc3)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_22700970,MCULE-4276561307,PC-id_4293080	635.754	WZQVGKREFGUFNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164548
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_22701180,MCULE-9424359103,PC-id_3566218	635.754	RCUCNEOHAGRSLG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164549
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccccc3OC)n2c2ccccc2OC)sc2c1CCC2	PC-id_97955096,ZINC22_97963294,CoCoCo_2662577	635.754	XKYIIFKHHLNQLC-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164550
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccccc3OC)n2c2ccccc2OC)sc2c1CCC2	ZINC22_97963295,CoCoCo_2662578,PC-id_97955097	635.754	XKYIIFKHHLNQLC-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164551
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2661860,PC-id_99656814	635.754	WZQVGKREFGUFNR-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164552
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662435,PC-id_99657345	635.754	UKSFOPNKKKOHMG-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164553
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	PC-id_99656815,CoCoCo_2661859	635.754	WZQVGKREFGUFNR-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164554
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	PC-id_99657347,CoCoCo_2662436	635.754	UKSFOPNKKKOHMG-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164555
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662134,PC-id_99667105	635.754	RCUCNEOHAGRSLG-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164556
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_99667104,CoCoCo_2662133	635.754	RCUCNEOHAGRSLG-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164557
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2Cc2ccccc2)sc2CCCc12	CoCoCo_2661651,EMOLS-id_22700666,PC-id_4384998,MCULE-2973657820	635.754	BRIIRWKJLPASTO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164558
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2Cc2ccccc2)sc2CCCc12	CoCoCo_2661214,PC-id_4460779,EMOLS-id_22699970,MCULE-1629516045	635.754	KDOCGOYCQWUIGM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164559
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_22700046,PC-id_4233073,MCULE-7692391371,CoCoCo_2661258	635.754	XHABCKUGRUNASB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164560
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCc1ccccc1	SCHEMBL15153260,PC-id_89723842	635.755	IIDNKWORUZOJSH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164561
CCc1cccc(c1NC(=O)N1Cc2c(C1)c(nn2C(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)N1CCN(CC1)C)CC	PC-id_44519305,SCHEMBL1896742	635.755	JHWLLNPSWHXJOT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164562
O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1Cc2c(C1)nc(n2C)C(=O)N)C	PC-id_145281888	635.755	UYQMKPVCLLGEDT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164563
CC[C@H](C1N(Cc2ccc(cc2)OC(F)(F)F)Cc2c1nc(s2)NC(=O)C(c1ccc(cc1)S(=O)(=O)C)C1CCCC1)C	SCHEMBL19772227,PC-id_134171047	635.76	TWFATPKYOHJNOP-NGDGNKOQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164564
CCOC(=O)n1nc2c(c1NC(=O)C1(CCC1)S(C)(C)C)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)COCc1ccccc1	SCHEMBL19537503	635.817	LJDXMASXMRIGSZ-HHHXNRCGSA-N	00001010100000110001000010000000000000000000000000000000	25-01-164565
CCOC(=O)N1c2c(cc(s2)C(=O)NC(C)(C)c2ccccc2)C(N1Cl)NC(=O)c1ccccc1NC(=O)c1nccn1C	SCHEMBL15153333,PC-id_89723898	636.121	OAIAWKZQVQYIQU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164566
C1C2=C(CS1(=O)=O)N(N=C2C(F)(F)F)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_147003943	636.127	ASOPEMIXJYWXNJ-QGZVFWFLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164567
C1C(=O)C2=C(C1(F)F)C(=NN2CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N)C(F)(F)F	PC-id_161573029	636.141	BSVHISZZAQKDDF-MRXNPFEDSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164568
CC1CCC(C1NS(=O)(=O)C2=C3C=CCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278690	636.222	REEADNALAWISJG-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164569
CCC(C1CCC(CC1)C(O)OC2=CC=C(C(C2)SC(C)C3CC4=C(O3)C=CS4)OC(C5CCC(CC5)C(CC)O)O)O	PC-id_148899055	636.315	PGKUUTKKNZYJKS-UHFFFAOYSA-N	00000010100011000000000010000000000000000000000000000000	25-01-164570
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=NN2)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)NC(C=C)O)C	PC-id_155248628	636.317	BVTDYTUZHCPXME-FICMROCWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164571
Brc1cc(CC2N(C(CC2)C(O)c2cccnc2)C(=O)O)ccc1NC(=O)C1CCc2sc(Br)nc12	PC-id_77934597	636.355	ALWISMODSNPTBO-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164572
Brc1cc(C[C@H]2N([C@H](CC2)[C@H](O)c2cccnc2)C(=O)O)ccc1NC(=O)[C@@H]1CCc2sc(Br)nc12	PC-id_70869678,SCHEMBL13269848	636.355	ALWISMODSNPTBO-XKIVJUNCSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164573
Brc1cc(C[C@H]2N([C@H](CC2)[C@H](O)c2cccnc2)C(=O)O)ccc1NC(=O)[C@H]1CCc2sc(Br)nc12	PC-id_70869745,SCHEMBL13269993	636.355	ALWISMODSNPTBO-MMQADKFZSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164574
Brc1cc(C[C@H]2N([C@H](CC2)C(O)c2cccnc2)C(=O)O)ccc1NC(=O)[C@@H]1CCc2sc(Br)nc12	SCHEMBL13269849,PC-id_70869679	636.355	ALWISMODSNPTBO-UJOPOEGESA-N	00000010100000111001000010000000000000000000000000000000	25-01-164575
Brc1cc(C[C@H]2N([C@H](CC2)C(O)c2cccnc2)C(=O)O)ccc1NC(=O)[C@H]1CCc2sc(Br)nc12	SCHEMBL13269994,PC-id_70869746	636.355	ALWISMODSNPTBO-GCFDERSISA-N	00000010100000111001000010000000000000000000000000000000	25-01-164576
CCC(=O)N[C@H](CC1=CC(=C(C=C1)NC(=O)[C@@H](CC(=O)C2=C3CCCC3=NN2CC)C4CCCCC4)F)C(=O)N5CCN(CC5)C	PC-id_161707807	636.38	UIYNNMGKXAOPGF-FREGXXQWSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164577
COc1ccc(cc1)/C=C/c1cc2=N/C(=C(/C(F)(F)F)c3cc4c(n3B(F)F)cc(s4)/C=C/c3ccc(cc3)OC)/C=c2s1	PC-id_139258911	636.462	MGFKPAOAMJKOSM-WJUHMEDOSA-N	00000010100000110000000110000000000000000000000000000000	25-01-164578
Ic1ccc(CCc2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_17047607	636.568	QAJDRICNUSFRFS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164579
COc1ccc(C(=O)CC2=Nc3nnc(CCCCCCCc4nnc5n4C(=O)C(=N5)CC(=O)c4ccc(OC)cc4)n3C2=O)cc1	PC-id_362245,CoCoCo_5683695,NSC625849,ZINC22_82182062	636.657	HGIPWYJUTYWBPD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164580
BrC1Sc2c(scc2)C1(CC(Br)CCCCCCCCCC)CCCCCCCCCCCC	PC-id_68688529,SCHEMBL3554852	636.672	WCDDLWRRIGSPFI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164581
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661730,EMOLS-id_24429308,PC-id_3353108,MCULE-2357069032	636.699	KFWBYMJWSJZGRW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164582
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	PC-id_4604904,MCULE-4285231652,ZINC22_33357977,EMOLS-id_22699708,CoCoCo_2661061	636.699	NRODGURLIMAASJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164583
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661588,PC-id_3551783,EMOLS-id_22700566,MCULE-1413140065	636.699	HFDUHQLUIZTFMS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164584
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)[N+](=O)[O-])n2c2ccccc2OC)sc2CCCc12	MCULE-5964600910,CoCoCo_2661116,EMOLS-id_24429210,PC-id_4598192	636.699	KKJMNSDMZCSTBX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164585
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947717	636.699	KFHFDPZXSINQTH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164586
CCOC(=O)N1c2c(C(N1F)NC(=O)c1ccc(cc1)N1CCOCC1)sc(c2)C(=O)NC(CN1CCCC1)c1ccccc1	PC-id_90338769	636.737	OPQOTKSGCMUDHT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164587
CCOC(=O)N1N(F)C(c2c1cc(s2)C(=O)N[C@@H](c1ccccc1)CN1CCCC1)NC(=O)c1ccc(cc1)N1CCOCC1	SCHEMBL15948188	636.737	OPQOTKSGCMUDHT-MIJJZIGMSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164588
CC1(c2c(CN1C(=O)NC(CO)c1ccccc1)c(n[nH]2)Nc1cc(ccc1)NC(=O)c1ccc(cc1)NC(=O)C=CCN(C)C)C	PC-id_137497882,SCHEMBL20741139	636.743	YRXUVAAXSAGWPU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164589
CC1(c2c(CN1C(=O)NC(CO)c1ccccc1)c(n[nH]2)Nc1cc(ccc1)NC(=O)c1ccc(cc1)NC(=O)/C=C/CN(C)C)C	SCHEMBL20741138,PC-id_137497881	636.743	YRXUVAAXSAGWPU-NTEUORMPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164590
OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1cccc(c1)NC(=O)c1ccc(cc1)NC(=O)/C=C/CN(C)C	SCHEMBL17878712,PC-id_121443986	636.743	YRXUVAAXSAGWPU-XWIHLEKXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164591
CC(C)[C@H]1c2c(CN1Cc1cc(=O)n(cc1)CC(F)(F)F)sc(n2)NC(=O)Cc1ccc(cc1)S(=O)(=O)C(C)C1CCC1	PC-id_134170704,SCHEMBL19771871	636.749	SWTLYTUPJAGYRB-JEBGQCBNSA-N	00001010100000111001000010000000000000000000000000000000	25-01-164592
CCCCCCCCOc1ccc(cc1Cc1nc2n(n1)N=C(/C/2=N/c1ccc(cc1C)N(CCNS(=O)(=O)C)CC)NC)C	SCHEMBL13752385	636.851	ORRKIQYEMOMBGC-WWIWEHRJSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164593
CCCCCCCCOc1c(cc(cc1)C)Cc1nn2c(n1)C(=Nc1c(cc(cc1)N(CC)CCNS(=O)(=O)C)C)C(=NC)N2	PC-id_136176350	636.851	ORRKIQYEMOMBGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164594
S(=O)(=O)(NCCN(c1cc(c(/N=C/c3n(nc(n3)Cc3c(OCCCCCCCC)ccc(c3)C)N=C2NC)cc1)C)CC)C	PC-id_57806648	636.851	ORRKIQYEMOMBGC-XKMRCYARSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164595
CC(CN(Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=Cc1ccc(c(c1)C(F)(F)F)Cl)CCC2)CC(O)C)O	SCHEMBL270195	637.113	XWGNQJBAJBRMOP-DEBNVXLLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164596
CC(CN(Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)NN=Cc1ccc(c(c1)C(F)(F)F)Cl)CCC2)CC(O)C)O	SCHEMBL270196,PC-id_66639598	637.113	XWGNQJBAJBRMOP-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164597
Clc1c(cc(/C=N/NC(=O)c2c3CCCc3sc2NC(=O)c2cc(CN(CC(O)C)CC(O)C)ccc2)cc1)C(F)(F)F	PC-id_23107606	637.113	XWGNQJBAJBRMOP-JAVXJAORSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164598
C1C(=O)c2c(C1(F)F)c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	PC-id_86719895,SCHEMBL14485068	637.48	ZGTBMFDQIPRSKZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164599
C1C(=O)c2c(C1(F)F)c(nn2CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F)C(F)(F)F	SCHEMBL14485071,PC-id_89350685	637.48	HORRIVZXYCIDBR-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164600
O=C(Cn1nc(c2c1C(=O)CC2(F)F)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14485069	637.48	ZGTBMFDQIPRSKZ-FQEVSTJZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164601
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CC(C2)(F)F)c(n1)C(F)(F)F)F	PC-id_90162500	637.523	ZMKKFFVMOLHWHE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164602
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CC(C2)(F)F)C(F)(F)F	SCHEMBL15724116	637.523	ZMKKFFVMOLHWHE-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164603
C1c2c(CS1(=O)=O)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_89351279,SCHEMBL18853905	637.553	ILOBEWCGKXXQCV-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164604
C1c2c(CS1(=O)=O)n(nc2C(F)(F)F)CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F	PC-id_89351282	637.553	KMNPHTMRMJJZCQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164605
O=C(Cn1nc(c2c1CS(=O)(=O)C2)C(F)(F)F)N[C@H](c1cc(F)cc(c1)F)Cc1ncccc1c1ccc(c(c1)C(=O)N)F	SCHEMBL14489000	637.553	KMNPHTMRMJJZCQ-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164606
O=C(Cn1nc(c2c1CS(=O)(=O)C2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14488992	637.553	ILOBEWCGKXXQCV-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164607
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2c[nH]cc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524095	637.7	XHOXNRYZBBAUIS-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164608
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]ccc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524085	637.7	LHXNJTQIDBHWOS-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164609
CC1(Cc2c(C1N=O)cc(s2)C(=O)Nc1c(ccc(c1CN=O)/C(=C/C(=NC(=N)/C=C(/CN1CCC1)NC)C(=O)NC)/N)F)C	PC-id_137315501	637.728	NIJOZYDXFNPAJD-LTSMRVFCSA-N	00001010100000110000000010000000000000000000000000000000	25-01-164610
O=CN(c1nccc(c1C=O)c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(c1)C)CCn1c(C)cc2c1CC(C2)(C)C	PC-id_138650053,SCHEMBL21018436	637.728	IWMSDRVRALSNLH-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-164611
O=NCc1c(ccc(c1NC(=O)c1cc2c(s1)CC(C2N=O)(C)C)F)C(=N)/C=C(C(=O)NC)/NC(=N)/C=C(/CN1CCC1)NC	SCHEMBL19981752	637.728	ZIAURUYDSJDVCC-ZCIXRTJQSA-N	00001010100000110000000010000000000000000000000000000000	25-01-164612
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccccc2F)n1c1ccc(cc1)OCC	MCULE-3648287808,EMOLS-id_22701438,PC-id_4437674	637.745	AXMUTLUKOFLRLF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164613
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccc(F)c2)n1c1ccc(cc1)OCC	PC-id_3339120,MCULE-3544203913,EMOLS-id_22701342	637.745	SUJUYOHIIZQKAW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164614
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)Cc2ccc(cc2)OC)n1c1ccc(cc1)F	MCULE-7468012344,PC-id_5225024,EMOLS-id_22701084	637.745	HNPQBRBXMSPJJP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164615
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2662015,PC-id_99656896	637.745	HNPQBRBXMSPJJP-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164616
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	PC-id_99656895,CoCoCo_2662016	637.745	HNPQBRBXMSPJJP-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164617
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	CoCoCo_2662392,PC-id_99657291	637.745	SUJUYOHIIZQKAW-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164618
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2cccc(c2)F)C)sc2c1CCC2	PC-id_99657288,CoCoCo_2662391	637.745	SUJUYOHIIZQKAW-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164619
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_99657430,CoCoCo_2662529	637.745	AXMUTLUKOFLRLF-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164620
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2ccccc2F)C)sc2c1CCC2	PC-id_99657432,CoCoCo_2662530	637.745	AXMUTLUKOFLRLF-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164621
CC1CCC(C1NS(=O)(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278678	638.237	ZJRAHHVPZXIKJY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164622
CCC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@@H](CC(=O)C2=COC3=C2COC3)C4CCC(CC4)C)F)C(=O)N5CCN(CC5)C	PC-id_160484427	638.348	PNAQNDAKFWSIIZ-HEYCPCTBSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164623
CCCCCCCCCCC(CN1C(=O)c2c(C1=O)c([se]c2Br)Br)CCCCCCCC	PC-id_102580635	638.377	CDINJNVNLTUSCQ-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164624
Nc1cnc(c(c1)c1ccc(c(c1)C(=O)N)F)C(NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F)Cc1cc(F)cc(c1)F	PC-id_144668124	638.511	CAXDEZDZTBGZMJ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164625
Fc1c(Cn2c(c(N3CCN(CC3)Cc3n4CCC(=O)c4cc3)c(=O)n(c2=O)C[C@H](N)c2ccccc2)C)c(ccc1)C(F)(F)F	PC-id_53239617,SCHEMBL1740168	638.655	NBPIDYOBAGMLBP-MHZLTWQESA-N	00000010100010110001100010000000000000000000000000000000	25-01-164626
Fc1c(Cn2c(c(N3CCN(CC3)Cc3n4CCC(=O)c4cc3)c(=O)n(c2=O)C[C@@H](N)c2ccccc2)C)c(ccc1)C(F)(F)F	PC-id_67143811,SCHEMBL1740169	638.655	NBPIDYOBAGMLBP-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164627
Fc1c(Cn2c(c(N3CCN(CC3)Cc3n4CCC(=O)c4cc3)c(=O)n(c2=O)CC(N)c2ccccc2)C)c(ccc1)C(F)(F)F	PC-id_67143812,SCHEMBL1740170	638.655	NBPIDYOBAGMLBP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164628
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2n(ccc2)C)cc(N2CCOCC2)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524086	638.685	IJSOTOLAGQRXEO-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164629
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_16665367,SCHEMBL1370706	638.688	DLUFIIXYICDOKS-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164630
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1c[nH]cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_16126866,SCHEMBL1374061	638.688	JSYHYHSNWFQTIZ-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164631
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_45272611,BindingDB_PC-id_45272611	638.688	JLIMOKFGZNPROX-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164632
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2[nH]cnc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524032	638.688	NKGYNQCQRLRAQV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164633
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661155,MCULE-7740176048,EMOLS-id_22699864,ZINC22_150390063,PC-id_4080772	638.69	ZFEUBCSBNHGMKM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164634
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)N(=O)=O)n1c1ccc(cc1)F	MCULE-1109431495,EMOLS-id_22700990,PC-id_5169788	638.69	BNSLEHGLYXUKNR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164635
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2c2ccc(F)cc2)sc2c1CCC2	CoCoCo_2661889,PC-id_99656825,ZINC22_150391429	638.69	BNSLEHGLYXUKNR-MRXNPFEDSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164636
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2c2ccc(F)cc2)sc2c1CCC2	ZINC22_150391433,PC-id_99656827,CoCoCo_2661890	638.69	BNSLEHGLYXUKNR-INIZCTEOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164637
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1cc(F)ccc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_23769882	638.69	JFCLPTRRXYFUKT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164638
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1c(F)cccc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947688	638.69	DIWYJTMNCGIGSO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164639
CCOC(=O)Cn1c2c(CN(C2(C)C)C(=O)N[C@H](CN(C)C)c2ccccc2)c(n1)Nc1cc(ccc1)NC(=O)c1ccc(cc1)N	SCHEMBL20754405,PC-id_137509569	638.759	OFQUBAVJLNXOJV-GDLZYMKVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164640
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)NCCN1Cc2c(S1(=O)=O)ccs2)CCC	PC-id_143356109	638.799	JOQULSKJIVIYRE-HXCXSPQYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-164641
Brc1c(OCc2c(Cl)cccc2F)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19659399	638.89	WTZTVLWRQIETRX-KNBZMSCYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164642
Brc1c(OCc2c(Cl)cccc2F)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_73633886	638.89	WTZTVLWRQIETRX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164643
CC1(c2c(CN1C(=O)O/C(=C(/CN(C)C)I)/c1ccccc1)c(n[nH]2)Nc1nc(ncc1)C(F)(F)F)C=C	PC-id_163550208	639.107	FIKUDFWVFKGJLJ-ZPHPHTNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164644
CCC(=O)NC(C(C)C1=CC(=C(C=C1)NC(=O)C(C2CCCCCC2)NC(=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C	PC-id_155024881	639.343	RHDUEBFTDDNWIW-UHFFFAOYSA-N	00000010100010110101000010000000000000000000000000000000	25-01-164645
CCC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@H](C2CCC(CC2)C)N(C=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C	PC-id_155025009	639.343	RVJBHDRTBYMPRM-PZJVHSJKSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164646
CCC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@H](C2CCC(CC2)C)NC(=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C	PC-id_155025011	639.343	CWDVDANZSFHWKB-IPRZFLKTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164647
CCC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@H](C2CCCCCC2)NC(=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C	PC-id_154618333	639.343	RHDUEBFTDDNWIW-FDOOREIASA-N	00000010100010110101000010000000000000000000000000000000	25-01-164648
CCC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@H](C2CCCCCC2)N(C=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C	PC-id_155024882	639.343	ZPNBYBHUUGXBRU-KYRCMVJCSA-N	00000010100010110101000010000000000000000000000000000000	25-01-164649
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)OCC	PC-id_4109580	639.351	CDRDGOHUUAKAAM-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164650
C1C(c2c(C1(F)F)c(nn2CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F)O	SCHEMBL20371646,PC-id_135215880	639.496	LCZFCIYKEMGAAS-BGERDNNASA-N	00000010100000111001100010000000000000000000000000000000	25-01-164651
C1c2c(CS1(O)O)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	SCHEMBL14488998,PC-id_89351281	639.569	LJMPBYQHSFKFAM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164652
C1c2c(CS1(O)O)n(nc2C(F)(F)F)CC(=O)NC(Cc1c(cccn1)c1cc(c(cc1)F)C(=O)N)c1cc(cc(c1)F)F	SCHEMBL14488995,PC-id_89351280	639.569	FIEULNRXKJUZIF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164653
CN1CC(C1)Oc1ccc(c(c1)NC(=O)c1cccn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373572,PC-id_67009955	639.673	VONBIYCVTZYTHR-UHFFFAOYSA-N	00001010110000110001000010000000000000000000000000000000	25-01-164654
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccco1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371291,PC-id_67009025	639.673	OXPCYWFEEKLBKR-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-164655
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cocc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373844,PC-id_67010051	639.673	YZWBFMPDONGLPK-UHFFFAOYSA-N	00000010101010110001100010000000000000000000000000000000	25-01-164656
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1cccn1C)N1CCOCC1	SCHEMBL1371325,PC-id_16665523	639.673	ARIIRLVCKAORHA-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164657
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccn[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010084,SCHEMBL1373927	639.676	IPEWVOWUJPEZEM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164658
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cnc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749874,SCHEMBL1371836	639.676	BCOVPYFOINCDNS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164659
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1c[nH]nc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010020,SCHEMBL1373755	639.676	YXRBXWXROVDMLG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164660
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ncc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372669,PC-id_67009610	639.676	PAAZPTAEDLMOBJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164661
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	MCULE-3627217580,CoCoCo_2661644,EMOLS-id_24429292,PC-id_4595394	639.718	VAXREJBNZRFFJO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164662
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661207,PC-id_4083299,MCULE-9503590236,EMOLS-id_22699956	639.718	YPLMXEUOAGUGIF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164663
CCCCCCCOC(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccccc1NC(=O)c1cccn1C)occ2)C(=O)N(CC)c1ccccc1	PC-id_89723981,SCHEMBL15153444	639.721	BJEODLTWMAJBMK-UHFFFAOYSA-O	00000011110000110001000010000000000000000000000000000000	25-01-164664
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)F	SCHEMBL1373945,PC-id_67010091	639.741	JIDUOCMDVOBNBX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164665
CCN(c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cccc(c1)OC)CCN(C)C	PC-id_68332625,SCHEMBL12640253	639.809	ISZQMXBFGSYUIC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164666
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-8220547709,CoCoCo_2661272,EMOLS-id_22700068,PC-id_4161643	640.173	HLRFXGXEXLSSHQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164667
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2c2cccc(C)c2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700306,PC-id_3334534,MCULE-5587148054,CoCoCo_2661419	640.173	FPIXEPAQVWNPKA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164668
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)COc2ccccc2)n1c1cccc(Cl)c1	PC-id_5155650,MCULE-8672702363,EMOLS-id_22701192	640.173	DOLQNMUANHKIHK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164669
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662153,PC-id_99657183	640.173	DOLQNMUANHKIHK-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164670
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)COc2ccccc2)C)sc2c1CCC2	CoCoCo_2662154,PC-id_99657184	640.173	DOLQNMUANHKIHK-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164671
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)n2Cc2ccccc2)sc2CCCc12	CoCoCo_2661409,PC-id_4099250,EMOLS-id_22700292,MCULE-2456366706	640.173	KHFZSZLRJYFKRU-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164672
C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=NNC4=C3CN(C4(C)C)C(=O)N[C@H](CN(C)C)C5=CC=CC=C5	PC-id_164942125	640.349	XRSXKJIHYHVHEN-MSHVKRHVSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164673
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3Cl)Cl)n2CCCC)sc2c(CCC2)c1C(=O)OCC	MCULE-2545053000,CoCoCo_2661429,PC-id_3326952,EMOLS-id_24429268	640.602	BXBIWBDIXIGGPD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164674
Fc1c(CN2C(C(N3CCN(CC3)Cc3n4CCC(=O)c4cc3)C(=O)N(C2=O)CC(N)c2ccccc2)C)c(ccc1)C(F)(F)F	PC-id_75986578	640.671	ARQLHMUKSGPMDH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164675
CN(CCN(c1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	SCHEMBL1373060,PC-id_67009768	640.704	BSMRYFQHKAFOGJ-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164676
CN(CCN(c1ccc(c(c1)NC(=O)c1c[nH]cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	PC-id_67009985,SCHEMBL1373656	640.704	LRXUFLJIWSYOSS-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164677
CCCCCCCOC(=O)[N+]1(c2c(C(=N1)NC(=O)c1ccccc1NC(=O)c1ccnn1C)occ2)C(=O)N(CC)c1ccccc1	SCHEMBL15153334,PC-id_89723899	640.709	OGZPOABNUKMLLA-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-164678
CCCCCCCOC(=O)N1c2c(C(N1)(C(=O)N(CC)c1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccn1C)occ2	SCHEMBL15153441,PC-id_89723979	640.729	SLKVTZKOEHFKNR-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164679
OCc1c(ccnc1N(CCn1c(C=O)cc2c1CC(C2)(C)C)C)c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(n1)C	SCHEMBL21018163,PC-id_138649796	640.732	LKRXIIUCHZCJJC-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-164680
O=CN(c1nccc(c1CO)c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(n1)C)CCn1c(C)cc2c1CC(C2)(C)C	SCHEMBL21235854,PC-id_139381249	640.732	NFGXPZPDBPWKNL-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-164681
C=C/C=Cc1cc(ccc1C)N(/C(=C/N)/C=C/1Cc2c(C1(C)C)cc(s2)/C=C(C(=O)/C(=C/C=C)/C(=CC)/C)/C=O)c1ccc(cc1)C	PC-id_145410975	640.876	HRHYWQDXHYHXQL-ACGKHFRSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164682
S1C2=C(N(CCCCCCCCCCCC)/C/1=C/C(=O)/C=C/1SC3=C(N1CCCCCCCCCCCC)CCC3)CCC2	PC-id_58659776	641.068	LNBLZVWXVYNUDQ-WTRLDGNBSA-N	00000011000000000001000010000000000000000000000000000000	25-01-164683
S1C2=C(N(CCCCCCCCCCCC)C1=CC(=O)C=C1SC3=C(N1CCCCCCCCCCCC)CCC3)CCC2	PC-id_72384942	641.068	LNBLZVWXVYNUDQ-UHFFFAOYSA-N	00000011000000000001000010000000000000000000000000000000	25-01-164684
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-1166188709,PC-id_5096388,EMOLS-id_24429214,CoCoCo_2661130	641.118	ZGLOFQVXPMKQGT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164685
CC/C=CN=C([C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CCC2(F)F)C(F)(F)F)Cc1ccc(c(c1)C(=O)N)F	PC-id_118357935	641.555	CHIFUPGVPAACOB-QRKATLAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164686
CC/C=CN=C([C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CCC2(F)F)C(F)(F)F)/Cc1ccc(c(c1)C(=O)N)F	SCHEMBL17067188	641.555	CHIFUPGVPAACOB-MQXKSAOWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164687
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)NC(=O)C(F)(F)F)C	PC-id_87324916,SCHEMBL2021362	641.613	RGXSWZSUWYQXOA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164688
CN(CCOc1ccc(c(c1)NC(=O)c1cccn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	PC-id_67008998,SCHEMBL1371229	641.689	PEHWIORRFOLJSO-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164689
CCCCCCCOC(=O)N1c2c(C(N1)(C(=O)N(CC)c1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccnn1C)occ2	SCHEMBL15153330,PC-id_89723894	641.717	WVSKZPCIJVUMCK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164690
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)N2CCCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524087	641.732	DKELWPAZIJMBMS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164691
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC[C@@H]2N(CCC2)C)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524106	641.775	GFOCHKDWONIDAQ-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-164692
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(c(OC)c2)OC)n1C1CCCCC1	EMOLS-id_22701422,PC-id_4083300,MCULE-5730875645	641.801	LWYDJSRZNVYHIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164693
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cc(OC)cc(OC)c2)n1C1CCCCC1	PC-id_3626039,MCULE-7630749145,EMOLS-id_22701074	641.801	JALBXGYJMRAXOA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164694
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	CoCoCo_2662501,PC-id_99665474	641.801	LWYDJSRZNVYHIX-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164695
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99665475,CoCoCo_2662502	641.801	LWYDJSRZNVYHIX-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164696
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2661999,PC-id_99666106	641.801	JALBXGYJMRAXOA-GOSISDBHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164697
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2662000,PC-id_99666108	641.801	JALBXGYJMRAXOA-SFHVURJKSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164698
CC1CCC(N1S(=O)(=O)C2=C3C=CCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278788	642.152	CXWOGTYALYRHDQ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164699
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3Cl)F)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_24429316,CoCoCo_2661783,MCULE-4306666076,PC-id_3269775	642.164	JGWSJXBCTHDQGW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164700
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)C2CCOC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524096	642.717	LPBYQMFCFPZOLF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164701
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)C2OCCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524110	642.717	ALDFXCBEMUUBKV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164702
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)[C@@H]2OCCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524108	642.717	ALDFXCBEMUUBKV-MUUNZHRXSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164703
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)[C@H]2OCCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524116	642.717	ALDFXCBEMUUBKV-NDEPHWFRSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164704
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)NC(=O)C1CCCN1)C	PC-id_89857813	642.72	FCYZOGWVGJVXDG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164705
CN1CCN(CC1)c1ccc(c(c1)NC(=O)[C@@H]1CCCN1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL13857367,PC-id_57703868	642.72	FCYZOGWVGJVXDG-DEOSSOPVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164706
CN1CCN(CC1)c1ccc(c(c1)NC(=O)[C@H]1CCCN1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL15327671	642.72	FCYZOGWVGJVXDG-XMMPIXPASA-N	00000010100010110001100010000000000000000000000000000000	25-01-164707
CN1CCN(CC1)c1ccc(c(c1)NC(=O)N1CCCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370820,PC-id_57749836	642.72	HYGNFQNWSUUBGA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164708
CN1CCN(CC1)c1ccc(c(c1)NCC1CCCN1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL12576224,PC-id_57749891	642.763	YYUABBULUCKNAH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164709
CN1CCN(CC1)c1ccc(c(c1)NC[C@H]1CCCN1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010345,SCHEMBL1374717	642.763	YYUABBULUCKNAH-HSZRJFAPSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164710
CN1CCN(CC1)c1ccc(c(c1)N[C@@H](C1CCCN1)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010347,SCHEMBL1374725	642.763	STRMSKIPCIRUFW-ICCFGIFFSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164711
CC(C)[C@H]1c2c(CN1CC1CN(CCO1)CC(F)(F)F)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CCC1CCCC1	PC-id_134170996,SCHEMBL19772175	642.796	IOBRTFGIEAXFSC-JVHFYALYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164712
O(C(CCCCCC)C(=O)NCC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CCN=C)CCO)cc1)C)C)C)c1c(cc(cc1)C)C	PC-id_18737216	642.834	ZQDMXBKTYBPHKP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164713
Clc1c(cc(CCC(=O)C(C(F)(F)F)(C)C)cc1)C(=O)Cc1cc(C(=O)Nc2sc3CCCc3n2)c(OCC(F)F)cc1	PC-id_58483227	643.064	ZCHIURPQEXOHHR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164714
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_5046382	643.315	PCASEKYDLFABTL-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164715
CCOC(=O)C=C(C(=O)OCC)C1(c2c(c(c(n2C(=S)O1)C(=O)OCC)C(=O)OCC)C(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_136664403	643.658	ZCADTZLAVDVDEI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164716
Fc1cc(Cn2c(=O)c(C(=O)CCCC(=O)N3Cc4c([nH]nc4CC(=O)c4ccc(N5CCN(CC5)C)cc4)C3)cnc2)ccc1F	PC-id_58567464	643.683	RYOHOOSPZUNTNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164717
Fc1cc(Cn2c(=O)c(ncc2)C(=O)CCCC(=O)N2Cc3c([nH]nc3CC(=O)c3ccc(N4CCN(CC4)C)cc3)C2)ccc1F	PC-id_58567479	643.683	NXUTYIUMSHZYEH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164718
Fc1cc(Cn2nccc(C(=O)CCCC(=O)N3Cc4c([nH]nc4CC(=O)c4ccc(N5CCN(CC5)C)cc4)C3)c2=O)ccc1F	PC-id_58567703	643.683	ZISPIWRPACPIIG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164719
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	MCULE-4401147436,CoCoCo_2661346,PC-id_4245798,EMOLS-id_22700186	643.7	QBCKWSLXIFUDDP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164720
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2Cc2ccccc2)sc2CCCc12	EMOLS-id_22700858,PC-id_4598674,MCULE-2417128567,CoCoCo_2661766	643.7	OBTKXEHUKKSZSC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164721
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)C2CCOCC2)cc(N2CCOCC2)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524052	643.701	YADOEIXFNYXAHJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164722
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCCO1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371829,PC-id_57749831	643.705	UDELFUKKXOANCX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164723
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1COCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749867,SCHEMBL1370898	643.705	XZKJOHSFMZLXDI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164724
CN1CCN(CC1)c1ccc(c(c1)NC(=O)[C@@H]1CCCO1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370470,PC-id_16665365	643.705	UDELFUKKXOANCX-VWLOTQADSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164725
CN1CCN(CC1)c1ccc(c(c1)NC(=O)[C@H]1CCCO1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370840,PC-id_57749862	643.705	UDELFUKKXOANCX-RUZDIDTESA-N	00000010100010110001100010000000000000000000000000000000	25-01-164726
COCCN(c1cc(ccc1N1CCN(CC1)C)C(=O)Nc1nn(c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)C(=O)OCC)C	SCHEMBL4279263,PC-id_57703895	643.729	LXIAXRAKOMZPRQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164727
S(=O)(=O)(NC(=O)c1c(NN=C2C(=Nn3nc(nc23)C)C(C)(C)C)cc(S(=O)(=O)C)cc1)c1cc(C(C)(C)C)ccc1OCC	PC-id_57968184	643.777	CVMOOSWSJHPQNS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164728
CCCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1897258,PC-id_67203901	643.819	VPCHFRAUFAOBMY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164729
CCCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)NC(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_44519304,SCHEMBL1897040	643.819	RLKIZGDOZBBXLP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164730
O=C/C(=Cc1sc2c(c1)C(/C(=C/c1ccc(cc1)c1ccccc1)/C/2=CNC1CC(=C(C(=C1)C)C)C)(C)C)/C(=O)C(=C)/C(=CS)/C	PC-id_145410902	643.9	LYVZWWNSUPHFAD-VQYJDVDZSA-N	00000010100011110000100010000000000000000000000000000000	25-01-164731
Cc1c(n2CCCc2c1C(=O)C(=O)NC1(CC(C1)(F)F)C(=O)N1CCN(CC1)S(=O)(=O)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_134302821,SCHEMBL19920532	644.062	GMBOOZPEWFDJRX-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-164732
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	PC-id_3415129,EMOLS-id_22700282,CoCoCo_2661403,MCULE-5848548394	644.137	MIWZJRIKPMSFDT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164733
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2c(F)cccc2Cl)n1c1ccccc1OC	PC-id_4063681,EMOLS-id_22699932,CoCoCo_2661193,MCULE-6812826111	644.137	BQCOBZCLXYFGHJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164734
CC1CCC(N1S(=O)(=O)C2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278791	644.167	QQXOYJRPBWHFJQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164735
CC1CCC(C1NS(=O)(=O)C2=C3C=CCN3C(=C2C)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278671	644.222	XBDOGYRXZKOZSZ-UHFFFAOYSA-N	00000011100000111001100010000000000000000000000000000000	25-01-164736
Brc1n2C(C(C(O)(c2cc1Br)C(=O)OC)C(=O)C)CN(C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_78141268	644.306	XXXBSDSKMIHAGX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164737
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(=O)OC)C(=O)C)CN(C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_71658301	644.306	XXXBSDSKMIHAGX-IZJXBPLLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164738
COc1ccccc1[C@H]1CSCCCN1C(=O)c1c(Cn2cc(c3cc(F)c(Br)c(F)c3N)nn2)nn2c1CCC2	ZINC22_2325831248	644.533	CFCUHAAVFHGTSD-JOCHJYFZSA-N	00000010100000110101100010000000000000000000000000000000	25-01-164739
COc1ccccc1[C@@H]1CSCCCN1C(=O)c1c(Cn2cc(c3cc(F)c(Br)c(F)c3N)nn2)nn2c1CCC2	ZINC22_2325831249	644.533	CFCUHAAVFHGTSD-QFIPXVFZSA-N	00000010100000110101100010000000000000000000000000000000	25-01-164740
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1ccc(cc1)Br	MCULE-5131889399,EMOLS-id_22701290,PC-id_5253181	644.56	GYXWWIJQRNSXMA-UHFFFAOYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-164741
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)Br)CNC(=O)c2ccco2)C)sc2c1CCC2	CoCoCo_2662291,PC-id_99667745	644.56	GYXWWIJQRNSXMA-OAHLLOKOSA-N	00000010101000110001100010000000000000000000000000000000	25-01-164742
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)Br)CNC(=O)c2ccco2)C)sc2c1CCC2	PC-id_99667748,CoCoCo_2662292	644.56	GYXWWIJQRNSXMA-HNNXBMFYSA-N	00000010101000110001100010000000000000000000000000000000	25-01-164743
CC(=O)N1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)NC	PC-id_90162484	644.567	BEBGDHTWQNCFAV-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164744
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CN(C2)C(=O)C)C(F)(F)F	SCHEMBL15724100	644.567	BEBGDHTWQNCFAV-VWLOTQADSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164745
Fc1cc(cc(c1)F)CC(c1ncccc1c1ccc(c(c1)C(=O)N)F)CNC(=O)Cn1nc(c2c1CN(C2)C(=O)C)C(F)(F)F	PC-id_144505067	644.567	KYOKWYUXTBOBBM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164746
CCOC(=O)N1c2c(cc(s2)C(=O)NC(C)(C)c2ccccc2Cl)C(N1Cl)NC(=O)c1ccc(cc1)CN1CCCCC1	PC-id_89723878,SCHEMBL15153310	644.612	QISHMLRFUAXHJS-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164747
CN1CC(C1)Oc1ccc(c(c1)NC(=O)C1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373467,PC-id_67009919	644.689	GAUNFLRKASCKKS-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-164748
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)C1CCOCC1)N1CCOCC1	PC-id_16665525,SCHEMBL1373571	644.689	DAUPFYGLWCJHEQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164749
OC(=O)C1CCn2c1ccc2C(=O)c1ccc(cc1)NCC(CCOCP(=O)(OCc1ccccc1)OCc1ccccc1)(C)C	SCHEMBL13652918,PC-id_59810203	644.694	WRLCYFJBBPKIJL-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164750
S(=O)(=O)(Nc1ccc(OCCCc2nc3n(N=C(C(C)(C)C)C3=NNc3n(nc(c3C#N)C)C)n2)cc1)c1cc(ccc1)C(=O)O	PC-id_21032592	644.704	APGSIICLSWTXGF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164751
CN1CCC(CC1)Oc1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010157,SCHEMBL1374085	644.732	JWLAQUVIRACNKI-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164752
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC1CCOCC1)OCCN1CCCC1	PC-id_67009422,SCHEMBL1372269	644.732	MGCIETHJGNPWIM-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164753
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)CN1CCOCC1)(C(=O)NOC1CCCCO1)S(=O)(=O)C	SCHEMBL20475009,PC-id_135306933	644.736	PIHDBBKAIGJJIQ-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-164754
O=C(CN1CCOCC1)OCC1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC2CCCCO2)C)CC1	SCHEMBL18498394	644.736	PIHDBBKAIGJJIQ-DINWUYGQSA-N	00100010100010000001000010000000000000000000000000000000	25-01-164755
Cc1c(n(c(c1)O)CC(C)c1nn2c(n1)c(=Cc1c([nH]n3c1nc(n3)C(C)Cn1c(cc(c1O)C)O)C(C)(C)C)c(n2)C(C)(C)C)O	PC-id_90724573	644.767	NRPLHZCCSKSCGU-UHFFFAOYSA-N	00000000110000000001000110000000000000000000000000000000	25-01-164756
O=C1CC(C(=O)N1CC(c1nn2c(n1)c(=Cc1c3[nH]c(nn3nc1C(C)(C)C)C(CN1C(=O)CC(C1=O)C)C)c(n2)C(C)(C)C)C)C	SCHEMBL13940497	644.767	LKERSRYWRLDPQM-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-164757
O=C1N(CC(c2nc3n([nH]c(C(C)(C)C)c3C=c3c(nn4nc(nc34)C(CN3C(=O)C(CC3=O)C)C)C(C)(C)C)n2)C)C(=O)CC1C	PC-id_57553689	644.767	GPCTYWMUJRRFBV-UHFFFAOYSA-N	00000010100000000001000110000000000000000000000000000000	25-01-164758
CCS(=O)(=O)c1c(cc(cc1)CC(=O)Nc1nc2c(s1)CN([C@H]2C(C)C)Cc1c(cc(cc1)C#N)C(F)(F)F)C1CCCC1	PC-id_134171015,SCHEMBL19772195	644.771	BILWKULGZJWRAI-PMERELPUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164759
COCCN1CCN/C(=CC(=Nc2cc(cn(c2=O)C)c2ccnc(c2C=O)N(/N=Cc2c(C=O)sc3c2CC(C3)(C)C)C)N)/C1	PC-id_145573413	644.787	AODCDOVRZNZZSA-HUJBUKOWSA-N	00000010100010101001100010000000000000000000000000000000	25-01-164760
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC2CCSCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524109	644.799	GACIKRLMXXFEFU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164761
CCN(CC)C(=O)N(n1c2c(CNC2(C)C)c(n1)NC(=O)C1CC1)n1c2c(CNC2(C)C)c(n1)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_91487552	644.81	WZPZIZIVLZWIIX-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-164762
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])[I-]OC3=CC=CC(=C3)N4C=C(N=N4)COC5=CC=C(C=C5)OC(F)(F)F	PC-id_147354189	645.021	NWTTVIBMNQBMIB-OAQYLSRUSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164763
CC(C)(C(=O)NCc1cc(c(cc1)Cl)C(=O)Nc1cc(c(cc1)OCC(F)F)C(=O)Nc1nc2c(s1)CCC2)C(F)(F)F	SCHEMBL12258742,PC-id_88896847	645.04	UVKJFIKVVJMZGS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164764
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)C1=C(C=C(CC1)N1CCN(CC1)C)NC(=O)C1CCOC1)C	PC-id_163815186	645.254	NQSLHEIFUYBRSU-UHFFFAOYSA-N	00000010100011110001100010000000000000000000000000000000	25-01-164765
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)CCNC(=O)c1ccnn(c1=O)Cc1ccc(c(c1)F)F	SCHEMBL13534263,PC-id_44622294	645.659	GKFWFJPMWHLLAS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164766
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)CCNC(=O)c1cncn(c1=O)Cc1ccc(c(c1)F)F	PC-id_70929019,SCHEMBL13534253	645.659	XJBLXTLUDCOXTJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164767
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)CCNC(=O)c1nccn(c1=O)Cc1ccc(c(c1)F)F	PC-id_44622149,SCHEMBL13534326	645.659	WLILYMFRERKKFF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164768
CCN(c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1c(F)cccc1F)CCN(C)C	SCHEMBL12640452,PC-id_68332670	645.764	PUHOGFFNCFRNDN-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164769
COCCN(c1ccc(c(c1)NC[C@H]1CCCN1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)CC	PC-id_68332569,SCHEMBL12639764	645.764	GKAQFUYTTOLXEG-HSZRJFAPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164770
CN1CCN(CC1)c1ccc(c(c1)NC1CCSCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371662,PC-id_57749834	645.787	SZHJIQUMGLQHRR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164771
O=C(C(=O)c1c2CCCn2c(c1C)C(=O)Nc1ccc(c(c1)Cl)F)NC1(CC(C1)(F)F)C(N1CCN(CC1)S(=O)(=O)C)O	PC-id_138722516,SCHEMBL21100906	646.078	RPKJBMXRHLOQDA-UHFFFAOYSA-N	00001010100010110001000010000000000000000000000000000000	25-01-164772
CC1CCC(C1NS(=O)(=O)C2=C3CCCN3C(=C2C)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278748	646.237	SDAIEUBKUZJXMS-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164773
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)OCc1ccccc1)C(F)(F)F	SCHEMBL20538935,PC-id_135360580	646.58	RNXALWIJHZNWBT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164774
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)COCc1ccccc1)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20538922,PC-id_135360569	646.58	AKQLZYAUSRJEQA-BIAFCPFJSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164775
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)COCc1ccccc1)Cc1cc(ccc1)C(F)(F)F	PC-id_135360568,SCHEMBL20538921	646.58	AKQLZYAUSRJEQA-DFBJGRDBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164776
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CC(n2nc1C(F)(F)F)COCc1ccccc1)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20538923,PC-id_135360570	646.58	AKQLZYAUSRJEQA-UBDBMELISA-N	00000010100000110001000010000000000000000000000000000000	25-01-164777
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(OCc2ccccc2)cc(c1)C(F)(F)F)C	SCHEMBL18758482	646.58	RNXALWIJHZNWBT-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164778
O=C(c1c2N(Cc3cccc(c3)C(F)(F)F)CC(n2nc1C(F)(F)F)COCc1ccccc1)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18758752	646.58	AKQLZYAUSRJEQA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164779
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700328,PC-id_4523245,MCULE-1655938676,CoCoCo_2661436	646.599	ZZOVGOAEADSWGR-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164780
CN(CCOc1ccc(c(c1)NC(=O)C1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	PC-id_67010233,SCHEMBL1374355	646.705	FIYYUFXYCRDAGC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164781
CC(OC1=Nn2c(/C/1=N/c1c(C)cc(c(c1C)S(=O)(=O)O)N(C)C)nc(n2)CCNS(=O)(=O)c1ccc(cc1C)N(C)C)C	SCHEMBL14085558	646.781	BKUAJLNPLSMBDN-GDWJVWIDSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164782
S(=O)(=O)(NCCc1nc2n(n1)N=C(OC(C)C)/C/2=N/c1c(c(S(=O)(=O)O)c(N(C)C)cc1C)C)c1c(cc(N(C)C)cc1)C	PC-id_59767429	646.781	BKUAJLNPLSMBDN-QCKNELIISA-N	00000011100000110001000010000000000000000000000000000000	25-01-164783
CCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1)N=NC1Cc2c(S1)nc(s2)N=Nc1ccc(cc1)N(CC)CC	PC-id_144286302	646.824	IFYWWMTYDBUVJV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164784
CCCCCCCCN(c1ccc(s1)/C=c/1c2nnc(n2nc1C(C)(C)C)CNS(=O)(=O)CCCC)CCCCCCCC	PC-id_58636245,SCHEMBL13987989	646.993	JCTIWHNFKQILDB-WCTVFOPTSA-N	00000000100100000001000010000000000000000000000000000000	25-01-164785
s1c(N(CCCCCCCC)CCCCCCCC)ccc1C=c1c(nn2c1nnc2CNS(=O)(=O)CCCC)C(C)(C)C	PC-id_72376722	646.993	JCTIWHNFKQILDB-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-164786
CCCCCCCCCCCCN1C(=O)c2c(C1=O)c(sc2[Sn](C)(C)C)[Sn](C)(C)C	SCHEMBL15929278,PC-id_90323693	647.071	OINHPGFDOAAUEY-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164787
CC1(C)CN(C(=O)c2c(NC(=O)C3CCCCC3)sc3c2CCC3)[C@H]1Cn1cc(c2cc(F)c(Br)c(F)c2N)nn1	ZINC22_2325837463	647.577	NGVTZUPOPBLSPL-NRFANRHFSA-N	00001010100010110001100010000000000000000000000000000000	25-01-164788
CC1(C)CN(C(=O)c2c(NC(=O)C3CCCCC3)sc3c2CCC3)[C@@H]1Cn1cc(c2cc(F)c(Br)c(F)c2N)nn1	ZINC22_2325837464	647.577	NGVTZUPOPBLSPL-OAQYLSRUSA-N	00001010100010110001100010000000000000000000000000000000	25-01-164789
CCCCCCCCCCCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)CCCCCCCCCC	PC-id_139035917	647.589	KASDCNSKOFAFCK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164790
OCC1(C#CC#Cc2cn3c(c2)CN(C3=O)CC[C@@](S(=O)(=O)C)(CNOC(=O)CCc2ccccc2OP(=O)(O)O)C)CC1	SCHEMBL18498280	647.633	FNJFGLWHSPRRKF-MUUNZHRXSA-N	00100010100000110001000010000000000000000000000000000000	25-01-164791
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCN(CC1)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57703904,SCHEMBL1371541	647.65	BXZSHJIICFCDQV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164792
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)S(=O)(=O)c1cc(F)cc(c1)F)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C	SCHEMBL4281921,PC-id_57703888	647.65	AUMLTTKLPVROJF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164793
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2c2ccc(cc2)F)sc2c(CCC2)c1C(=O)OCC	PC-id_5105127,CoCoCo_2661764,MCULE-1933201869,EMOLS-id_22700854	647.664	OPNCMUFPPSBOAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164794
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_5157380,EMOLS-id_24429304,MCULE-1684416495,CoCoCo_2661711	647.664	WJNXPJBVILOONZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164795
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3c(nnc23)C(CCC(=O)O)(C)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_21026773	647.683	JORGEIJCYPPIJH-ZXVVBBHZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164796
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3c(nnc23)C(CCC(=O)O)(C)C)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_73734488	647.683	JORGEIJCYPPIJH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164797
CN1CCN(CC1)c1cc(F)c(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67008857,SCHEMBL1370772	647.712	DRPXQNAWRDYZFE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164798
COCC(Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)COC	SCHEMBL1370664,PC-id_67008822	647.736	CRBUHQIKXRBXHK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164799
c1(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22701498,PC-id_5206087,MCULE-7396226896	647.807	FBQOOZJLQGCTJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164800
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2662613,PC-id_99657092	647.807	FBQOOZJLQGCTJB-NRFANRHFSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164801
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	PC-id_99657091,CoCoCo_2662614	647.807	FBQOOZJLQGCTJB-OAQYLSRUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164802
s1c2CCC(c2nc1CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@H]2N([C@H](CC2)[C@H](O)c2ccccc2)C(=O)OC(C)(C)C)cc1	PC-id_58126657	647.824	FKMUBTSJVIBYEG-QUNAYQHRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164803
O=C(NCCCCCCCCCCCCCC)c1nc2n(N=C(C(C)(C)C)/C/2=N/c2c(NC(=O)CC)cc(N(CC)CC)cc2)c1C	PC-id_60126436	647.937	FKMNDCFLIHCJHD-HSRGEJEPSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164804
Cc1c(c(c(cc1)c1n[nH]c(=O)c(c1)N(c1nn(c(c1)C)C)I)F)NC(=O)c1cc2c(s1)CC([C@H]2O)(C)C	PC-id_134355198,SCHEMBL19981561	648.491	BFRRJNIQFZRLAS-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164805
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCC2)c1C(=O)OC)C(=O)OC	PC-id_3320096	648.543	URNLDJFXUTZHQI-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-164806
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)COS(=O)(=O)C)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20538983,PC-id_135360624	648.574	YQQCYAKYLAHXEP-MBABXSBOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164807
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)COS(=O)(=O)C)Cc1cc(ccc1)C(F)(F)F	PC-id_135360623,SCHEMBL20538982	648.574	YQQCYAKYLAHXEP-YWZLYKJASA-N	00000010100000110001000010000000000000000000000000000000	25-01-164808
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CC(n2nc1C(F)(F)F)COS(=O)(=O)C)Cc1cc(ccc1)C(F)(F)F	SCHEMBL20538984,PC-id_135360625	648.574	YQQCYAKYLAHXEP-OOJLDXBWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164809
CC(C)(C)COC(=O)n1c2c(CN(C2)C(=O)C(c2ccccc2)OC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243092	648.604	URTVIYIQBGUBRH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164810
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2ccccc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524084	648.723	SEKGYQYCWABALB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164811
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22701490,MCULE-9598253634,PC-id_5069461	648.752	REOPGKGRTILSRF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164812
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700886,MCULE-3169573784,CoCoCo_2661781,PC-id_4388882	648.752	DKMIIJNMCUUAQE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164813
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(C)c(c3)[N+](=O)[O-])n2Cc2ccccc2)sc2CCCc12	PC-id_4414458,EMOLS-id_24429356,MCULE-4351745481	648.752	FFMSLKMYWUXGJI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164814
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])C)C)sc2c1CCC2	CoCoCo_2661945,PC-id_99656790	648.752	FFMSLKMYWUXGJI-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164815
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])C)C)sc2c1CCC2	CoCoCo_2661946,PC-id_99656789	648.752	FFMSLKMYWUXGJI-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164816
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	CoCoCo_2662606,PC-id_99657493	648.752	REOPGKGRTILSRF-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164817
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	PC-id_99657494,CoCoCo_2662605	648.752	REOPGKGRTILSRF-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164818
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(c3)[N+](=O)[O-])n2c2cc(C)ccc2C)sc2CCCc12	CoCoCo_2661180,PC-id_4985729,MCULE-5890411802,ZINC22_150390239,EMOLS-id_22699906	648.752	OJCKOEAODDMVHE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164819
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(c3)[N+](=O)[O-])n2c2cccc(C)c2C)sc2CCCc12	EMOLS-id_22699904,PC-id_4640865,MCULE-7857384831,CoCoCo_2661178	648.752	XLLQCYHVYSSLHL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164820
O=C(OC(C)(C)C)Nc1sc2c(n1)C(CC2)C(=O)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)[C@@H](c1ccccc1)O	PC-id_57907635,SCHEMBL11982363	648.812	TYPDZZDLAULGCO-AMOKESORSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164821
s1c2CCC(c2nc1NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC2N(C(CC2)C(O)c2ccccc2)C(=O)OC(C)(C)C)cc1	PC-id_76637905	648.812	TYPDZZDLAULGCO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164822
Brc1c(OCc2ccc(Cl)cc2)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19660122	648.952	NTCAFQAJUORGQZ-XAZZYMPDSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164823
Brc1c(OCc2ccc(Cl)cc2)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73634586	648.952	NTCAFQAJUORGQZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164824
CCCCCCCCN(CCCCCCCC)c1ccc(s1)Cc1c2nnc(=CNS(CCCC)(O)O)n2nc1C(C)(C)C	PC-id_90952476	649.009	LRLJOYIJMHSZKF-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-164825
CC(c1ccc(cc1)C(=O)NSc1ccccc1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F	PC-id_145296839	649.607	DSHMBCBKUIVIIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164826
COC(C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C)c1ccccc1	SCHEMBL1434228	649.612	BFKGMMSEQRHJPF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164827
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C)c1ccccc1	SCHEMBL1434226	649.612	BFKGMMSEQRHJPF-HHHXNRCGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164828
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccccc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749845,SCHEMBL1372012	649.711	ANHQFYAYSHSAIT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164829
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2ccncc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524104	649.711	YBSUCPPCQWBJSI-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-164830
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2ncccc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524107	649.711	UPDPUCQNBBRXIG-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-164831
s1nc(SCCS(=O)O)nc1N/N=C/1C(=Nn2nc(nc12)C(CNC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)C)C(C)(C)C	PC-id_23568020	649.722	CHQIWROLNKOHNS-RWPZCVJISA-N	00000011100000110001000010000000000000000000000000000000	25-01-164832
s1nc(SCCS(=O)O)nc1N/N=C
/C(=Nn2nc(nc12)C(CNC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)C)C(C)(C)C	PC-id_58630385	649.722	CHQIWROLNKOHNS-MBTHVWNTSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164833
s1nc(SCCS(=O)O)nc1NN=C1C(=Nn2nc(nc12)C(CNC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)C)C(C)(C)C	PC-id_74063319	649.722	CHQIWROLNKOHNS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164834
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1cccc(c1)C(F)(F)F	PC-id_4452496,EMOLS-id_22701270,MCULE-8932540517	649.727	RQNDIIUGRUJCIO-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164835
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C(F)(F)F)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662265,PC-id_99665975	649.727	RQNDIIUGRUJCIO-OAHLLOKOSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164836
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C(F)(F)F)CNC(=O)c2cccs2)C)sc2c1CCC2	CoCoCo_2662266,PC-id_99665978	649.727	RQNDIIUGRUJCIO-HNNXBMFYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-164837
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_4144180,CoCoCo_2661821,EMOLS-id_22700940,MCULE-6347535106	649.78	BGLRZZVWUFTPHA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164838
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_4548796,EMOLS-id_24429318,MCULE-5496195672,CoCoCo_2661786	649.78	JAALYRBYZLRTMN-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164839
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-6521945840,CoCoCo_2661250,PC-id_4608569,EMOLS-id_22700030	649.78	XPNBPBUILZDOFX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164840
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccccc2OC)n1c1ccc(cc1)OCC	EMOLS-id_22701458,MCULE-4181656332,PC-id_4412603	649.78	UXJOYVVIVMFPHW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164841
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)OC)n1c1ccc(cc1)OCC	MCULE-5837518475,EMOLS-id_22700960,PC-id_4596980	649.78	CQJSTVYZNJXQRX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164842
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccc(OC)c2)n1c1ccc(cc1)OCC	MCULE-7321421465,PC-id_4670186,EMOLS-id_22701364	649.78	QZKYPOGJVBROND-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164843
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(c(OC)c2)OC)n1c1cccc(C)c1	PC-id_4224173,EMOLS-id_22701428,MCULE-9541811295	649.78	POYMLGGGCFEHJT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164844
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cc(OC)cc(OC)c2)n1c1cccc(C)c1	PC-id_4176965,EMOLS-id_22701078,MCULE-8813907627	649.78	HPWAPFKLRIZZLE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164845
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)COc2ccccc2)n1c1ccc(cc1)OCC	EMOLS-id_22701166,PC-id_4344456,MCULE-7040715940	649.78	XKROWWCHXFJSPJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164846
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2Cc2ccccc2)sc2CCCc12	EMOLS-id_22701406,PC-id_4144377,MCULE-1555682040	649.78	KETVSNWRLAKTKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164847
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2Cc2ccccc2)sc2CCCc12	EMOLS-id_22701062,PC-id_4437086,MCULE-7045819379	649.78	MNCIAUYISOUZKJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164848
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2c2ccccc2OC)sc2CCCc12	MCULE-1815266827,PC-id_4382557,EMOLS-id_5433831	649.78	JEUNQRICZQLHDE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164849
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2c2ccccc2OC)sc2c1CCC2	CoCoCo_4978173,ZINC22_97963285,PC-id_97955087	649.78	JEUNQRICZQLHDE-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164850
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2c2ccccc2OC)sc2c1CCC2	ZINC22_97963284,CoCoCo_4978172,PC-id_97955086	649.78	JEUNQRICZQLHDE-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164851
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	CoCoCo_2662507,PC-id_99657421	649.78	POYMLGGGCFEHJT-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164852
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99657423,CoCoCo_2662508	649.78	POYMLGGGCFEHJT-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164853
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2662004,PC-id_99656892	649.78	HPWAPFKLRIZZLE-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164854
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	PC-id_99656890,CoCoCo_2662003	649.78	HPWAPFKLRIZZLE-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164855
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662425,PC-id_99657327	649.78	QZKYPOGJVBROND-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164856
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2cccc(c2)OC)C)sc2c1CCC2	CoCoCo_2662426,PC-id_99657328	649.78	QZKYPOGJVBROND-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164857
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	CoCoCo_2662565,PC-id_99657465	649.78	UXJOYVVIVMFPHW-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164858
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	PC-id_99656799,CoCoCo_2661844	649.78	CQJSTVYZNJXQRX-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164859
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCC2	PC-id_99656800,CoCoCo_2661843	649.78	CQJSTVYZNJXQRX-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164860
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_99657464,CoCoCo_2662566	649.78	UXJOYVVIVMFPHW-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-164861
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_99666805,CoCoCo_2662119	649.78	XKROWWCHXFJSPJ-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164862
CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1c2NCCn2nc1	PC-id_136414625	651.798	HMZHOKJYBXAOGC-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164909
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)COc2ccccc2)C)sc2c1CCC2	PC-id_99666808,CoCoCo_2662120	649.78	XKROWWCHXFJSPJ-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164863
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99665628,CoCoCo_2662484	649.78	KETVSNWRLAKTKX-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164864
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99665632,CoCoCo_2662483	649.78	KETVSNWRLAKTKX-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164865
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2661985,PC-id_99656866	649.78	MNCIAUYISOUZKJ-IBGZPJMESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164866
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2661986,PC-id_99656865	649.78	MNCIAUYISOUZKJ-LJQANCHMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164867
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2c2cc(C)ccc2C)sc2CCCc12	EMOLS-id_22700714,CoCoCo_2661677,MCULE-7437062387,PC-id_4194229	649.78	TZLZNBUMTDXPKN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164868
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2c2cccc(C)c2C)sc2CCCc12	PC-id_3280426,CoCoCo_2661674,MCULE-2055314707,EMOLS-id_22700708	649.78	IQZQWVMZNLWIHN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164869
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2cc(C)ccc2C)sc2CCCc12	PC-id_4073394,MCULE-3221389236,EMOLS-id_24429232,CoCoCo_2661238	649.78	VKKGJYXMHUKKEK-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164870
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2cccc(C)c2C)sc2CCCc12	PC-id_4140322,EMOLS-id_22700008,MCULE-7053011122,CoCoCo_2661235	649.78	AIYKWTUCHYGOTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164871
CCn1c(nc2c1CN(C2)Cc1ccc(cc1)C(=O)N(CCN1CCC(CC1)OC(=O)Nc1ccccc1c1ccccc1)C)C(=O)N	PC-id_145281915	649.782	DPQJIFSXHSXEIP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164872
CCOC(=O)n1nc2c(c1N(C(=O)C1(CCC1)S(C)(C)C)C)CN(C2(C)C)C(=O)N[C@@H](c1ccccc1)COCc1ccccc1	SCHEMBL19542102	649.843	IQZRNJXTWWETDN-MUUNZHRXSA-N	00001010100000110001000010000000000000000000000000000000	25-01-164873
CC1CCC(N1S(=O)(=O)C2=C3C=CCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278781	650.151	IZLPFLSORNEJCV-UHFFFAOYSA-N	00000011100000111001100010000000000000000000000000000000	25-01-164874
Cc1c(ccc(=N)n1C(=O)N)c1cc(cnc1C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CCC2(F)F)c(n1)C(F)(F)F)N	PC-id_134467237,SCHEMBL20104883	650.55	YOHJYOXZUAGKGW-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164875
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccccn1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370668,PC-id_57749896	650.699	HWMIADHMXTULTO-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-164876
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cccnc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67008687,SCHEMBL1370351	650.699	MUTUMUUOYHACCJ-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-164877
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1)c1ccccc1	SCHEMBL1434247	655.575	BMFQUQSMPGAFRD-GDLZYMKVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165002
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccncc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749851,SCHEMBL1370834	650.699	YEIZRUIDGKEJSU-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-164878
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-3170952612,EMOLS-id_22699784,CoCoCo_2661108,PC-id_5184122	650.725	MWWGXTBFVIYCQT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164879
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)OC)n1c1ccc(cc1)N(=O)=O	EMOLS-id_22700962,PC-id_5103523,MCULE-3385892280	650.725	ZRSROBRCJCTQIJ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164880
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccccc2OC)n1c1ccc(cc1)N(=O)=O	PC-id_43947691,MCULE-1234883368,EMOLS-id_24429420	650.725	VHSRYCWGMTZCTP-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164881
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)[N+](=O)[O-])n2c2ccccc2OC)sc2CCCc12	PC-id_3474837,MCULE-3100369791,EMOLS-id_24429352	650.725	WGQRRDHPEIKIQW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164882
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(OC)cc3)n2c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	PC-id_99656807,ZINC22_150391349,CoCoCo_2661850	650.725	ZRSROBRCJCTQIJ-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164883
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(OC)cc3)n2c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	ZINC22_150391347,PC-id_99656806,CoCoCo_2661849	650.725	ZRSROBRCJCTQIJ-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164884
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)[N+](=O)[O-])CNC(=O)c2ccccc2OC)C)sc2c1CCC2	CoCoCo_2662569,PC-id_99665835	650.725	VHSRYCWGMTZCTP-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164885
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)[N+](=O)[O-])CNC(=O)c2ccccc2OC)C)sc2c1CCC2	PC-id_99665836,CoCoCo_2662570	650.725	VHSRYCWGMTZCTP-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164886
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	CoCoCo_2661902,PC-id_99656744	650.725	WGQRRDHPEIKIQW-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164887
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2	PC-id_99656742,CoCoCo_2661901	650.725	WGQRRDHPEIKIQW-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164888
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(c3)[N+](=O)[O-])n2c2ccccc2OC)sc2CCCc12	PC-id_4670185,CoCoCo_2661166,ZINC22_150390203,EMOLS-id_22699882,MCULE-2960799588	650.725	NLJMEDLQSCVMDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164889
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1cc(OC)ccc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947683	650.725	QMIIRULZZQJKDV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164890
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)Cc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947704	650.725	DKXPJNHSLHTNPS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164891
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947667	650.725	KRQOTEKXLIQWHX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164892
CC1(c2c(CN1C(=O)N[C@H](CN(C)C)c1ccccc1)c(nn2C(=O)O)Nc1cc(ccc1)NC(=O)c1ccc(cc1)NC(=O)C=C)C	PC-id_137497900,SCHEMBL20741164	650.727	RNRNRSFYOUBEHX-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164893
C=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1nn(c2c1CN(C2(C)C)C(=O)NC(c1ccccc1)CN(C)C)C(=O)O	PC-id_121438521,SCHEMBL17872117	650.727	RNRNRSFYOUBEHX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164894
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCc2ccc(O)cc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524062	650.739	BERXDKMLZFWWQP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164895
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NCc2c(O)cccc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524077	650.739	ILJBKINMKMVIJS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164896
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)C3n4c(nnc4CNC(=O)OCc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	SCHEMBL4498870,PC-id_69067779	651.497	CRFIVEFBJHRWEX-UXMRNZNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-164897
Clc1c(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3n4c(nnc4CNC(=O)OCc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	SCHEMBL4498863,PC-id_69067776	651.497	CRFIVEFBJHRWEX-ZEQRLZLVSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164898
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4CNC(=O)OCc4ccccc4)CC3)C(=O)O)cc2)ccc(Cl)c1	PC-id_11721597	651.497	VXDOKRFDKGYOHZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164899
Clc1c(C(=O)Nc2ccc(CC(NC(=O)C3n4c(nnc4CNC(=O)OCc4ccccc4)CC3)C(=O)O)cc2)c(Cl)ccc1	PC-id_77598024	651.497	CRFIVEFBJHRWEX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164900
CNC(=O)c1c(ccc(c1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CS(=O)(=O)C2)c(n1)C(F)(F)F)F	PC-id_90162463	651.579	QETUHZHVHRFYCF-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164901
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CS(=O)(=O)C2)C(F)(F)F	SCHEMBL15724079	651.579	QETUHZHVHRFYCF-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164902
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947696	651.67	SYCRPGVTDIJIFV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164903
CN1CCN(CC1)c1ccc(c(c1)NCc1ccccc1O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370782,PC-id_57749852	651.727	YEEAMVRNEHGIBQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164904
CN1CCN(CC1)c1ccc(c(c1)NCc1ccc(cc1)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371932,PC-id_57749888	651.727	QQZOYPPJMZVTNX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164905
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2n(ccc2)C)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524113	651.727	WIZAQDBWTTUBKQ-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164906
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_22700674,CoCoCo_2661655,PC-id_3478217,MCULE-1683557746	651.753	ZIRFDYGPGZMLMH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164907
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2ccccc2OC)sc2CCCc12	PC-id_4455070,MCULE-3208849205,CoCoCo_2661218,EMOLS-id_22699978	651.753	IXDIEZDATVYWBQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164908
CCCCC/C=CC1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(=O)O	SCHEMBL8244206	651.838	UUVCYZCBMQLLGX-CVJLMIFUSA-N	00100010100000000001000010000000000000000000000000000000	25-01-164910
S1(=O)(=O)N(CC(NC(=O)NCC(=O)N2C(C(=O)NC3(C(C3)C=CCCCCC)C(=O)O)CCC2)C(C)(C)C)Cc2sccc12	PC-id_77820112	651.838	UUVCYZCBMQLLGX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-164911
S1(=O)(=O)N(CC(NC(=O)NCC(=O)N2[C@H](C(=O)N[C@]3(C(C3)C=CCCCCC)C(=O)O)CCC2)C(C)(C)C)Cc2sccc12	PC-id_70316769	651.838	UUVCYZCBMQLLGX-IUNUHWOOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-164912
CCCCCCCCCCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817154	651.954	DNLXTJCCMDLRIF-GDLZYMKVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-164913
CC1CCC(N1S(=O)(=O)C2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278655	652.167	XYSIDQJTFOJACM-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164914
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)I)C(F)(F)F	SCHEMBL20538931,PC-id_135360577	652.328	VXRSPIANTIYJIV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164915
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)I)C(F)(F)F	PC-id_135360576,SCHEMBL20538930	652.328	VXRSPIANTIYJIV-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164916
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)I)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740166	652.328	KZFRHSAQVNBZJB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164917
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)I)N[C@H](c1ccc(cc1)C(=O)O)C	SCHEMBL18740165	652.328	KZFRHSAQVNBZJB-LBPRGKRZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164918
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cccn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370806,PC-id_16665368	652.715	AELKUSLYPDFLBI-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164919
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccn(c1)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67008921,SCHEMBL1370964	652.715	JEOKEIZIAMZJFA-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164920
CN1CCN(CC1)c1cc(NC(=O)c2ccc[nH]2)c(cc1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_140139761	652.715	DTYMOAFYWPXVGH-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-164921
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2n[nH]c(c2)C)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524065	652.715	QSQMPMQLNFMTDI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164922
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(c(c2)N(=O)=O)C)n1c1ccc(cc1)F	MCULE-6143270747,PC-id_4603718,EMOLS-id_22701032	652.716	GCNKGWZJDRTVLS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164923
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2c2ccc(F)cc2)sc2c1CCC2	CoCoCo_2661941,PC-id_99656768,ZINC22_150391111	652.716	GCNKGWZJDRTVLS-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164924
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2c2ccc(F)cc2)sc2c1CCC2	PC-id_99656767,ZINC22_150391110,CoCoCo_2661942	652.716	GCNKGWZJDRTVLS-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164925
CNCC(=O)NC(C(=O)N1CC(CC1CN(C(=O)c1cn2c(n1)CCC2)CCc1ccc(cc1)F)Oc1ccc(cc1)F)C(OC)C	SCHEMBL18754744	652.731	RNLRDPVSHFROJV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164926
CCCCC/C=CC1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(=O)O	PC-id_143361571	652.822	HVOLMLJSFPDKBM-CVJLMIFUSA-N	00100010100000000001000010000000000000000000000000000000	25-01-164927
CCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)N=NC1Cc2c(S1)nc(s2)N=Nc1ccc(cc1)N(CC)CC	SCHEMBL13351668,PC-id_89064615	652.872	IQVUVBUNYIXNRK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164928
Brc1c(OCc2c(Cl)cccc2F)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19658244	652.916	VMQOOHDZORKHID-KLPHOBTLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164929
Brc1c(OCc2c(Cl)cccc2F)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_73632754	652.916	VMQOOHDZORKHID-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164930
C1CC1(C(=O)O)O/N=C(C2=CSC(=N2)N)/C(=O)C[C@H]3[C@H](N(C3=O)S(=O)(=O)O)CN4N=CC(=N4)CSC5CN6C=NC=[N+]6C5	PC-id_148539533	653.101	GBQBIYOUDLPVCO-NWFZUXJVSA-O	00101010100000000001000010000000000000000000000000000000	25-01-164931
Ic1c(CN2CCN(CC2)CC(=O)NC2CC(=O)c3c2c(Br)sc3Br)cccc1	PC-id_11549181	653.169	IMOLJYOQANEBJT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-164932
CCC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@@](C)(C2CCCCCC2)NC(=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C	PC-id_154677602	653.359	JVCVCEOQJLZQKD-BZMXQZAYSA-N	00000010100010110101000010000000000000000000000000000000	25-01-164933
CCC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@H](C2CCC(CC2)(C)C)NC(=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C	PC-id_155056175	653.359	IKBWRWDRYBSTNU-FDOOREIASA-N	00000010100010110001000010000000000000000000000000000000	25-01-164934
FSNc1cc(Br)c(nc1C=N)C(NC(=O)Cn1nc(c2c1C(F)(F)C(C2)C)C(F)F)Cc1cc(F)cc(c1)F	PC-id_142466290	653.413	YJZXYAQNSSHFHV-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-164935
C1c2c(CS1(=O)=O)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(ccc[n+]1[O-])c1cc(c(cc1)F)C(=O)N	PC-id_89351008	653.552	CTBWKUQOPTYYTA-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164936
C1c2c(CS1([O-])[O-])n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(ccc[n+]1[O-])c1cc(c(cc1)F)C(=O)N	SCHEMBL14487402,PC-id_89351009	653.552	PMAYUWHONOBELG-UHFFFAOYSA-L	00000010100000111001100010000000000000000000000000000000	25-01-164937
O=C(Cn1nc(c2c1CS(=O)(=O)C2)C(F)(F)F)N[C@H](c1[n+]([O-])cccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14487400	653.552	CTBWKUQOPTYYTA-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-164938
CSc1cc2n(c1C(=O)c1ccc(cc1)Cl)CCC2C(=O)OC(=O)C1CCn2c1cc(c2C(=O)c1ccc(cc1)Cl)SC	SCHEMBL11199835,PC-id_88739998	653.595	XSAWSKGWBFUJGA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164939
O=C1[C@@H](NC(=O)/C(=NOC2(CC2)C(=O)O)/c2csc(n2)N)[C@H](N1S(=O)(=O)[O-])Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	PC-id_118380194,SCHEMBL17094484	653.671	APSVVJFKQXJMPE-GRQNXSDGSA-N	00101010100000000001000010000000000000000000000000000000	25-01-164940
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCCOC	PC-id_87243185	663.619	TZOGVGGAPCQOSP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165128
O=C1[C@@H](NC(=O)/C(=N/OC2(CC2)C(=O)O)/c2csc(n2)N)[C@H](N1S(=O)(=O)[O-])Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	PC-id_118380199	653.671	APSVVJFKQXJMPE-CEBOPJHRSA-N	00101010100000000001000010000000000000000000000000000000	25-01-164941
O=C1[C@@H](NC(=O)C(=NOC2(CC2)C(=O)O)c2csc(n2)N)[C@H](N1S(=O)(=O)[O-])Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	SCHEMBL17094488	653.671	APSVVJFKQXJMPE-ZBFHGGJFSA-N	00101010100000000001000010000000000000000000000000000000	25-01-164942
O=C1[C@@H](NC(=O)/C(=N/OC2(CC2)C(=O)O)/c2csc(n2)N)C(N1S(=O)(=O)[O-])Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	PC-id_118393752	653.671	APSVVJFKQXJMPE-AUFVYRQTSA-N	00101010100000000001000010000000000000000000000000000000	25-01-164943
O=C1[C@@H](NC(=O)/C(=NOC2(CC2)C(=O)O)/c2csc(n2)N)C(N1S(=O)(=O)[O-])Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	SCHEMBL17112123,PC-id_118393749	653.671	APSVVJFKQXJMPE-HGWFRBLSSA-N	00101010100000000001000010000000000000000000000000000000	25-01-164944
O=C1[C@@H](NC(=O)C(=NOC2(CC2)C(=O)O)c2csc(n2)N)C(N1S(=O)(=O)[O-])Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	SCHEMBL17112125	653.671	APSVVJFKQXJMPE-WMCAAGNKSA-N	00101010100000000001000010000000000000000000000000000000	25-01-164945
CN1CCC(CC1)Oc1ccc(c(c1)NC(=O)c1ccc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370364,PC-id_67008694	653.699	UUFQXIIAIJHLJG-UHFFFAOYSA-N	00000010110010110001000010000000000000000000000000000000	25-01-164946
CN1CCC(CC1)Oc1ccc(c(c1)NC(=O)c1c[nH]cc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009066,SCHEMBL1371421	653.699	PLAFJINLUHYTTC-UHFFFAOYSA-N	00000010110010110001000010000000000000000000000000000000	25-01-164947
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1ccc[nH]1)OCCN1CCCC1	SCHEMBL1371459,PC-id_67009086	653.699	SGIQZSBZMMMLER-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164948
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1c[nH]cc1)OCCN1CCCC1	PC-id_67008995,SCHEMBL1371216	653.699	LUKQZLQHXDZHFR-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164949
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2c(onc2)C)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524081	653.699	ORMZJVSNJMXGIF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164950
CCC1(C)c2[nH]nc(c2CN1S(=O)(=O)c1cc(F)cc(c1)F)NC(=O)c1ccc(cc1NC(=O)c1c[nH]nc1)N1CCN(CC1)C	PC-id_140139762	653.703	GBFKLQSHEWDOBQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164951
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccn(n1)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009307,SCHEMBL1372017	653.703	JYUOOACQKFSKMG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164952
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ccnn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010381,SCHEMBL1374840	653.703	CAKKYPUJIKDNJX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164953
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cncn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67008868,SCHEMBL1370797	653.703	FVLLBSOARDVSMS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164954
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cnn(c1)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009951,SCHEMBL1373562	653.703	HTPBIDSSKWLLNG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164955
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1nccn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373019,PC-id_67009748	653.703	XFZMXXVKGLTIOZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164956
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1ncn(c1)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370506,PC-id_67008750	653.703	MLZCMHILHSLCAQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164957
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1[nH]nc(c1)C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749835,SCHEMBL1371514	653.703	GGFLGKRWANMABW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164958
CN1CCN(C(C1)C)c1ccc(c(c1)NC(=O)c1cnc[nH]1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_140139760	653.703	XCBLULSIUFKFSF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164959
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(c(OC)c2)OC)n1c1ccc(cc1)F	PC-id_4523222,MCULE-5331265974,EMOLS-id_22701398	653.744	CFDBQFHZBOUQAQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164960
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cc(OC)cc(OC)c2)n1c1ccc(cc1)F	MCULE-5992333516,PC-id_5146794,EMOLS-id_22701056	653.744	HKHJXQXTLSKYRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164961
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	CoCoCo_2662475,PC-id_99657367	653.744	CFDBQFHZBOUQAQ-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164962
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99657364,CoCoCo_2662476	653.744	CFDBQFHZBOUQAQ-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164963
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2661978,PC-id_99656858	653.744	HKHJXQXTLSKYRO-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164964
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	PC-id_99656857,CoCoCo_2661977	653.744	HKHJXQXTLSKYRO-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164965
COc1ccc(cc1)OCCCC(=O)NCC(c1nn2c(n1)C(=Nc1ccc(cc1)N(CCOc1ccc(cc1)OC)CC)C(=N2)C)C	PC-id_102010497	653.771	MLLCXOLZZSCWQN-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-164966
OCc1c(ccnc1N(CCn1c(C=O)cc2c1CC(C2)(C)C)C)c1cc(Nc2ccc(cn2)C(=O)N2CCOC[C@H]2C)c(=O)n(c1)C	PC-id_138650438,SCHEMBL21018852	653.771	WXKBNBRHQZZSTI-HSZRJFAPSA-N	00000010100010101001100010000000000000000000000000000000	25-01-164967
CC(C)(C)OC(=O)NC(NC(=O)OC(C)(C)C)N(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1c2NCCn2nc1	PC-id_136660370	653.814	BTVWJJHKCKHWFY-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164968
CCCCCCCC1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(=O)O	PC-id_70319205,SCHEMBL8249784	653.853	UAVQHRDFSNTXMV-IUNUHWOOSA-N	00100010100000000001000010000000000000000000000000000000	25-01-164969
CCCCC/C=CCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_143355273	653.853	PXUCBAPFCUPWEY-ZRUVKLFOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-164970
S1(=O)(=O)N(CC(NC(=O)NCC(=O)N2C(C(=O)NC3(C(C3)CCCCCCC)C(=O)O)CCC2)C(C)(C)C)Cc2sccc12	PC-id_77821155	653.853	UAVQHRDFSNTXMV-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-164971
CCCCCCCCC[C@](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)(C=O)C	PC-id_143355013	653.897	PLUZVTVJPPMPDY-JPQSABDMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-164972
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_4076902,EMOLS-id_22700916,MCULE-4206244285,CoCoCo_2661802	654.199	XMDOAUOUMISTJJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164973
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)n2c2cccc(C)c2C)sc2CCCc12	CoCoCo_2661422,EMOLS-id_22700312,MCULE-9806619123,PC-id_4053489	654.199	MNXHHGUFFLSMLQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164974
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)n2c2cc(C)ccc2C)sc2CCCc12	EMOLS-id_22700314,MCULE-3220952051,CoCoCo_2661423,PC-id_4112209	654.199	MONALNVLQQEMBI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164975
FC(F)(F)c1cc(C(O)(C2[n+]3c(nn(c3)Cc3ccccc3)CC2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F	PC-id_76462806	654.469	FWCSQBKLFUPWIR-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164976
FC(F)(F)c1cc(C(O)([C@H]2[n+]3c(nn(c3)Cc3ccccc3)CC2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F	PC-id_56933862	654.469	FWCSQBKLFUPWIR-QHCPKHFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164977
CN1CCN(CC1)c1ccc(cc1)C(=O)[As]c1nn(c2c1CN(C2)C(=O)C(c1ccccc1)OC)C(=O)Oc1ccccc1	PC-id_87243095	654.567	YJLVXBGSTQWVRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164978
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_4165506,EMOLS-id_22700132,CoCoCo_2661317,MCULE-5515954100	654.598	ODBCOJSWSFGRNS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164979
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/C(=Nn3nc(nc23)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)cc(S(=O)(=O)O)cc1	PC-id_21032571	654.634	RKQZRTVGUGQMRQ-ANYBSYGZSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164980
S(=O)(=O)(O)c1c(n2ncc(c2NN=C2C(=Nn3nc(nc23)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)cc(S(=O)(=O)O)cc1	PC-id_73735478	654.634	RKQZRTVGUGQMRQ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-164981
O=C1[C@@H](NC(=O)/C(=N/OC2(CC2)C(=O)O)/c2csc(n2)N)[C@H](N1S(=O)(=O)O)Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	PC-id_118380200	654.679	APSVVJFKQXJMPE-CEBOPJHRSA-O	00101010100000000001000010000000000000000000000000000000	25-01-164982
O=C1[C@@H](NC(=O)/C(=NOC2(CC2)C(=O)O)/c2csc(n2)N)[C@H](N1S(=O)(=O)O)Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	SCHEMBL17133389,PC-id_118380195	654.679	APSVVJFKQXJMPE-GRQNXSDGSA-O	00101010100000000001000010000000000000000000000000000000	25-01-164983
O=C1[C@@H](NC(=O)/C(=NOC2(CC2)C(=O)O)/c2csc(n2)N)C(N1S(=O)(=O)O)Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	PC-id_118393750	654.679	APSVVJFKQXJMPE-HGWFRBLSSA-O	00101010100000000001000010000000000000000000000000000000	25-01-164984
O=C1[C@@H](NC(=O)/C(=N/OC2(CC2)C(=O)O)/c2csc(n2)N)C(N1S(=O)(=O)O)Cn1ncc(n1)CSC1C[n+]2n(C1)cnc2	PC-id_118393753	654.679	APSVVJFKQXJMPE-AUFVYRQTSA-O	00101010100000000001000010000000000000000000000000000000	25-01-164985
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cnoc1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370876,PC-id_57749882	654.687	HAAOCRZJYWCRJF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164986
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1conc1)C(=O)N(c1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	PC-id_140139763	654.687	AHUCPTGBOWWWEP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164987
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N[C@@H](c1ccccc1)CN(C)C)Nc1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_140963662	654.716	VTGABDXWRKDNMY-MUUNZHRXSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164988
CN(CCN(c1ccc(c(c1)NC(=O)c1cccn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	SCHEMBL1374358,PC-id_67010235	654.731	VLYLNKYNAOJOFY-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-164989
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2sccc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524069	654.75	KIFJXNUNTXCVLH-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-164990
Fc1ccc(cc1)CCN(C(=O)c1nc2n(c1)CCC2)C[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](N(C(=O)OC(C)(C)C)C)C	PC-id_68265377,SCHEMBL12442593	654.815	SAZGRPBJRAZWFI-RSRUXJMGSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164991
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(N(C)C(=O)OC(C)(C)C)C)C(C)(C)C)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_77445201	654.815	SAZGRPBJRAZWFI-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-164992
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_4089826,ZINC22_150390234,MCULE-1253920768,EMOLS-id_22699902,CoCoCo_2661177	655.144	JEGMVLBTQREZQI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-164993
CC(=CC(=N)C(=O)NC1=C(C=CC(=C1)N2CCN(CC2)C)C(=O)NC3=NNC4=C3CN(C4(C)C)S(=O)(=O)C5=CC(=CC(=C5)F)F)N	PC-id_149496754	655.25	URCXAIDJFSJDFV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-164994
Brc1c(OCc2c(Cl)cccc2Cl)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_4087722	655.344	CZTRRZGVYHFERH-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164995
Brc1c(OCc2c(Cl)cccc2Cl)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9646222	655.344	CZTRRZGVYHFERH-KNBZMSCYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164996
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19658305	655.344	GGIJUNSIRMYCGD-KNBZMSCYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164997
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_73632815	655.344	GGIJUNSIRMYCGD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-164998
CCC(N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@@](C)(C2CCCCCC2)NC(=O)C3=COC4=C3COC4)F)C(=O)N5CCN(CC5)C)O	PC-id_155055868	655.375	WTVSUNPJKAJMKR-FIAQMHPDSA-N	00000010100010110101000010000000000000000000000000000000	25-01-164999
C1c2c(CS1(O)O)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(ccc[n+]1[O-])c1cc(c(cc1)F)C(=O)N	SCHEMBL15708307,PC-id_89351010	655.568	PMAYUWHONOBELG-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165000
COC(C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1)c1ccccc1	SCHEMBL1434248	655.575	BMFQUQSMPGAFRD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165001
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1NC(=O)c1ccc[nH]1)N(C)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373173,PC-id_67009810	655.672	JJOZIDLKSLHXOM-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-165003
CC(C)(C)C1=Nn2c(nc(n2)CCCOc2ccc(cc2)NC(=O)c2ccccc2S(=O)(=O)O)C1=NNc1n[nH]c(c1[N+]#[C-])C[N+]#[C-]	PC-id_91178104	655.687	DYPXZZFSOURPLS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165004
S(=O)(=O)(O)c1c(C(=O)Nc2ccc(OCCCc3nc4n(N=C(C(C)(C)C)/C/4=N/Nc4n[nH]c(c4[N+]#[C-])C[N+]#[C-])n3)cc2)cccc1	PC-id_21032556	655.687	DYPXZZFSOURPLS-LAKKEJQSSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165005
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cccs1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373709,PC-id_57749868	655.738	KVAWRPZBOMSMQL-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-165006
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cscc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010240,SCHEMBL1374377	655.738	MHTYWHJHVLDQJI-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-165007
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2ncsc2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524073	655.738	LWPJLLOGQGNGRE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165008
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)C2CCCNC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524045	655.758	LARJKJNPRJYXIM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165009
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)C2NCCCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524042	655.758	GHPFQGPDHRZIBE-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165010
CCCCCCCC1C[C@]1(NC([C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)O)C(=O)O	PC-id_143359993	655.869	NWUOTRXERAODJF-CYGKSYKWSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165011
CCCCC/C=CCCC(C(=O)O)NC([C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)O	PC-id_143350697	655.869	YZTLEMDZQQMBDF-GXONFMIZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165012
CCCCC/C=CCC[C@@H](C(=O)O)NC([C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)O	PC-id_143362002	655.869	YZTLEMDZQQMBDF-PREGYWMBSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165013
CCCCCCC[C@](C(=O)O)(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CC	PC-id_143351549	655.869	JNFIKXWNUFNKTH-YQGDDOLLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165014
S(=O)(=O)(NC(c1n2N=C(C(=Nc3c(cc(C(CCNS(=O)(=O)C)CC)cc3)C)c2nn1)CC)C)c1cc(C(C)(C)C)ccc1C	PC-id_60126464	655.874	RMMFHQLSQUHZDL-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165015
CCCCCCCCCCCC(=O)OCC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	PC-id_145072802	655.934	WPIRRRCEDQIVQV-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165016
CCCCCCCCCCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19536292	655.934	WPIRRRCEDQIVQV-GDLZYMKVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165017
CC1CCC(C1NS(=O)(=O)C2=C3C=CCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278758	656.167	LSBNNRIYUKBJEJ-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165018
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	MCULE-1759850456,EMOLS-id_22700702,PC-id_4079054,CoCoCo_2661671	656.172	PZRSDNALTCALJM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165019
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_5121399,CoCoCo_2661232,EMOLS-id_24429228,MCULE-1285391800	656.172	NIWGNQYWOYHHTC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165020
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)n2c2ccccc2OC)sc2CCCc12	CoCoCo_2661412,MCULE-5600893816,EMOLS-id_24429262,PC-id_5009275	656.172	ZKKWGSUIINJTSW-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165021
CC(=CC(=[NH2+])C(=O)NC1=C(C=CC(=C1)N2CCN(CC2)C)C(=O)NC3=NNC4=C3CN(C4(C)C)S(=O)(=O)C5=CC(=CC(=C5)F)F)N	PC-id_149496753	656.257	URCXAIDJFSJDFV-UHFFFAOYSA-O	00000010100010110001100010000000000000000000000000000000	25-01-165022
CC[S@@](=NC(=O)OC(C)(C)C)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	PC-id_154602979	656.268	RZAFCMMLTUAPIH-BYFCTBRDSA-N	00000010100010101000000010000000000000000000000000000000	25-01-165023
C1CCN(C1)C(=O)Nc1ccc(cc1)c1c(nccc1)C(Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(CCC2(F)F)c(n1)C(F)F	PC-id_90162401	656.621	WKXCWOKMLKCFCN-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165024
O=C(Cn1nc(c2c1C(F)(F)CC2)C(F)F)N[C@H](c1ncccc1c1ccc(cc1)NC(=O)N1CCCC1)Cc1cc(F)cc(c1)F	SCHEMBL15724017	656.621	WKXCWOKMLKCFCN-SANMLTNESA-N	00000010100000111001100010000000000000000000000000000000	25-01-165025
CN1CCN(CC1)c1cc(F)c(c(c1)NC(=O)c1[nH]ccc1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371072,PC-id_67008945	656.679	QKAXBTJFGBBYSV-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-165026
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1cscn1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373918,PC-id_57749892	656.727	AAJNMLHQUHINLJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165027
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)C2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524034	656.743	ZKEWSISLUAAKLD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165028
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCCCN1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_57749865,SCHEMBL1372054	656.746	LWRFLKZZHJAFKM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165029
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCCNC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371921,PC-id_57749887	656.746	LNQSTUUYKOMRIX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165030
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCNCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371922,PC-id_67009253	656.746	QZUMELISPCJDRF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165031
CO[C@@H]([C@@H](C(=O)N1CCC[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)NC(=O)[C@@H](N(C(=O)OC(C)(C)C)C)C)C	SCHEMBL12443186,PC-id_68265578	656.788	MHWFYDBTTPWNQT-XZQSQWLPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165032
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(N(C)C(=O)OC(C)(C)C)C)C(OC)C)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_77445293	656.788	MHWFYDBTTPWNQT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165033
COC(C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1	SCHEMBL1433645,PC-id_67030618	656.814	MZMVESSKWQLHPO-MHXPMERLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165034
CO[C@@H](C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1	PC-id_67030617,SCHEMBL1433643	656.814	MZMVESSKWQLHPO-LGMAGDAQSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165035
O(C1C(CCC(C1)C)C(C)C)C(=O)n1nc(NC(=O)c2ccc(N3CCN(CC3)C)cc2)c2c1CN(C2)C(=O)C(OC)c1ccccc1	PC-id_77248982	656.814	MZMVESSKWQLHPO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165036
CCCCCCCCNc1nn2c(n1)c(=Cc1c([nH]n3c1nc(n3)NS(=O)(=O)CCCCCCCC)C(C)(C)C)c(n2)C(C)(C)C	PC-id_89967877	656.929	JRSSLYPYEGTQKO-UHFFFAOYSA-N	00000000100000000001000110000000000000000000000000000000	25-01-165037
CCCCCCCCNc1nn2c([nH]1)c(c(n2)C(C)(C)C)/C=c/1c2nc(nn2nc1C(C)(C)C)NS(=O)(=O)CCCCCCCC	SCHEMBL15471323	656.929	AKQMHSOAYZEPRO-BZZOAKBMSA-N	00000000100000000001000110000000000000000000000000000000	25-01-165038
CCCN(CCC)C(=O)C1=C(C2=C(S1)SC(C2C)([C@@H](CC3=CC(=CC(=C3)F)F)[C@H](CNCC4=CC=CC(=C4)CC)O)C(=O)N)C	PC-id_149796206	657.287	BMFGELFECFXTFS-BAJCTWTASA-N	00000010100000110000000010000000000000000000000000000000	25-01-165039
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC	PC-id_4406018	657.341	YJKUJYRKPOPDJW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165040
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCCCO1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010272,SCHEMBL1374475	657.731	HAPHGOORCGEOEK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165041
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCCOC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1373216,PC-id_67009825	657.731	UFBRQMLESHHKIA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165042
CN1CCN(CC1)c1ccc(c(c1)NC(=O)C1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_16665366,SCHEMBL1371323	657.731	VJMLQOKJIJQKTD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165043
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)N2CCOCC2)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524105	657.731	GELDCNMYYGQGSS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165044
O=C(CNC(=O)CNC(=O)CNC(=O)CSC(=O)C)NCCCCCCOc1ccc(cc1)C(=O)c1ccc2n1CCC2C(=O)O	SCHEMBL19749164	657.734	MCKFCUCCZHEXMD-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165045
OCc1c(ccnc1N(CCc1c(C=O)sc2c1CC(C2)(C)C)C)c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(n1)C	SCHEMBL21018120,PC-id_138649753	657.782	FKCKNOSTORBOQO-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-165046
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3F)Cl)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22699922,CoCoCo_2661188,MCULE-8744231820,PC-id_3535307	658.163	LGQDVJWFPJVMKI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165047
CC1CCC(C1NS(=O)(=O)C2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278743	658.183	DKEABFREAASIDX-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165048
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_3481083,EMOLS-id_22700720,MCULE-3902803485,CoCoCo_2661683	658.562	MZOCNUSVHNXPCA-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165049
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-3072341829,EMOLS-id_22700488,PC-id_5064298,CoCoCo_2661544	658.562	KJSJXCXXRRSRGH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165050
CN1CCN(CC1)c1ccc(c(c1)NC(=O)N1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371468,PC-id_57749848	658.719	VXMCEINHLMWYDA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165051
CCN(c1ccc(c(c1)C)/N=C/1c2nnc(n2N=C1C(C)(C)C)C(NC(=O)c1cccc(c1)S(=O)(=O)O)C)CCNS(=O)(=O)C	PC-id_58776940,SCHEMBL14271636	658.792	WNUXQHIPTZGYGR-TZHWMEPESA-N	00000011100000110001000010000000000000000000000000000000	25-01-165052
CCN(c1ccc(c(c1)NC[C@H]1CCCN1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)CCN(C)C	PC-id_68332671,SCHEMBL12640453	658.805	KITYNUSZWUGJOD-XMMPIXPASA-N	00000010100000110001000010000000000000000000000000000000	25-01-165053
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3F)Cl)n2c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	ZINC22_150389947,EMOLS-id_22699926,CoCoCo_2661190,PC-id_3525086,MCULE-8429484745	659.108	HCSHUWSCSFDPSZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165054
CC1CCC(N1S(=O)(=O)NC2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278835	659.178	MXLRVZNTXBIDDN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165055
CC(CNC(=O)c1cc(cc(c1)SOOO)SOOO)c1nn2c(n1)C(=Nc1cc(c(c(c1)Cl)O)Cl)C(=N2)C(C)(C)C	PC-id_136151309	659.519	AISNVFJKKKMFFS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165056
CCOC(=O)n1c2c(CN(C2(C)C)C(=O)N(c2ccccc2Cl)Cl)c(n1)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)[N+](=O)[O-]	SCHEMBL1986387,PC-id_87320244	659.52	GYDNSMWSBSWBCW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165057
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)Nc1c(Cl)cccc1Cl)NC(=O)c1ccc(cc1[N+](=O)[O-])N1CCN(CC1)C	PC-id_67237865,SCHEMBL1986383	659.52	CTDYKOJBCJJQNF-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165058
Ic1ccc(NCc2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OC)nn2)c2ccccc2)cc1	PC-id_17047783	659.562	BMVQCNDWARTDER-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165059
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661753,PC-id_4050163,EMOLS-id_22700838,MCULE-1581833011	659.699	WLOUPLVNKGXWFS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165060
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_3503955,MCULE-1635221077,EMOLS-id_22699750,CoCoCo_2661085	659.699	IHFNAFHLWIFPBF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165061
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	MCULE-4180019840,PC-id_3320824,CoCoCo_2661612,EMOLS-id_22700610	659.699	CQGUGQSIIFNRPD-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165062
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	PC-id_5098083,CoCoCo_2661392,EMOLS-id_22700264,MCULE-9750161648	659.699	ODSPDPRTESOFFE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165063
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2c2ccccc2OC)sc2CCCc12	EMOLS-id_22700862,PC-id_4431171,MCULE-4492793726,CoCoCo_2661768	659.699	YYSHDPFJHFKBQB-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165064
S(=O)(=O)(O)c1c(C(=O)Nc2ccc(OCCCc3nc4n(N=C(C(C)(C)C)C4=NNC4NNC(C4[N+]#[C-])C[N+]#[C-])n3)cc2)cccc1	PC-id_73735464	659.719	UJQJSWOPZZYIBM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165065
CN(CCN(c1ccc(c(c1)NC(=O)C1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	SCHEMBL1371463,PC-id_67009088	659.747	SIAFSNFAIKUTID-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165066
ClC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_4453891	659.769	DOCSRVYLZQKGBU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165067
COCCN(c1cc(ccc1N(CCN(C)C)CC)C(=O)Nc1nn(c2c1CN(C2)S(=O)(=O)c1cccc(c1)F)C(=O)OCC)C	PC-id_71013927,SCHEMBL13857402	659.772	DZNKSQOQFUZFLT-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165068
CCOC(=O)n1c2c(CN(C2(C)C)C(=O)NC(CN(C)C)c2ccccc2)c(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1	SCHEMBL20741134,PC-id_137497877	659.775	MGSOZYBMZPLTOT-HSLSYKTRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165069
CCOC(=O)n1c2c(CN(C2(C)C)C(=O)N[C@H](CN(C)C)c2ccccc2)c(n1)NC(=O)C1CCCN(C1)C(=O)OCc1ccccc1	PC-id_137497879,SCHEMBL20741136	659.775	MGSOZYBMZPLTOT-SVNIRARHSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165070
CCOC(=O)n1c2c(CN(C2(C)C)C(=O)N[C@H](CN(C)C)c2ccccc2)c(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1	SCHEMBL20741132,PC-id_137497875	659.775	MGSOZYBMZPLTOT-IXCJQBJRSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165071
CCCCC/C=CCC[C@@H](C(O)O)NC([C@@H]1CCCN1C(CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)O)O	PC-id_143353662	659.901	ARMXTDCTUWCQOC-DKQSPGFQSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165072
O(c1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(OCNCC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CCO)CC)cc1)C)C)C)C	PC-id_58693437	659.904	CJKFAZWBESNOQV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165073
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2c2cccc(Cl)c2)sc2c(CCC2)c1C(=O)OCC	PC-id_4056451,MCULE-7189225722,CoCoCo_2661421,EMOLS-id_22700310	660.591	BZIPTGQCFUBFDS-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165074
CC(c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)COCc1ccccc1)Cc1cc(ccc1)C(F)(F)F	PC-id_135360595,SCHEMBL20538952	660.606	CNGQMLUBVOTFPM-GHZUAHJPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165075
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(C[C@H](n2nc1C(F)(F)F)COCc1ccccc1)Cc1cc(ccc1)C(F)(F)F	PC-id_135360593,SCHEMBL20538949	660.606	CNGQMLUBVOTFPM-FNZWTVRRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165076
C[C@@H](c1ccc(cc1)C(=O)OC)NC(=O)c1c2N(CC(n2nc1C(F)(F)F)COCc1ccccc1)Cc1cc(ccc1)C(F)(F)F	PC-id_135360597,SCHEMBL20538954	660.606	CNGQMLUBVOTFPM-DQUNLGLBSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165077
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(Cc3cccc(c3)C(F)(F)F)CC(n2nc1C(F)(F)F)COCc1ccccc1)C	SCHEMBL18758754	660.606	CNGQMLUBVOTFPM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165078
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1ccc(cc1)Br	MCULE-1371090174,PC-id_4677464,EMOLS-id_22701218	660.625	CBSBZFZUKBQTJI-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-165079
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)Br)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_99657051,CoCoCo_2662200	660.625	CBSBZFZUKBQTJI-OAHLLOKOSA-N	00000010100100110001100010000000000000000000000000000000	25-01-165080
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)Br)CNC(=O)c2cccs2)C)sc2c1CCC2	PC-id_99657052,CoCoCo_2662199	660.625	CBSBZFZUKBQTJI-HNNXBMFYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-165081
C=CCC1(CC(=O)c2c1n(nc2)CC1=NC(C=CC1)c1c(c(ccc1)C(F)(F)F)OCc1ccc(cc1)C1CN(C1)C(=O)CC1CC1)F	PC-id_90894866	660.7	RHDMSXLSBGIELI-UHFFFAOYSA-N	00101010100011110001100010000000000000000000000000000000	25-01-165082
CC(C)[C@H]1c2c(CN1CC1CN(CCO1)C(=O)OC(C)(C)C)sc(n2)C(=O)NCc1ccc(cc1)S(=O)(=O)CCC1CCCC1	SCHEMBL19772085,PC-id_134170913	660.887	ASPDZKWRTXEVIG-QFCCLOIZSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165083
C1(Cc2cscc2C1)(CO[Si](c1ccccc1)(C(C)(C)C)c1ccccc1)CO[Si](c1ccccc1)(C(C)(C)C)c1ccccc1	SCHEMBL14006877,7104456_OpenMolecule,PC-id_59850436,CT-id_7104456	661.055	TVKVWHHZSXCSBI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165084
CCCCCC(CN(c1ccc(c(c1)C)N=C1C(=Nn2c1nc(n2)C(CCCCC)CC)C(CC)C)C[C@H](C(CCCC)CC)C)CC	PC-id_145603789	661.061	BAHUPFILJYELBI-QGDCKBJQSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165085
O=C(Cn1nc(c2c1C(F)(F)C[C@@H]2C)C(F)(F)F)NC(c1nc(C#CC(O)(C)C)ccc1Br)Cc1cc(F)cc(c1)F	PC-id_144694072	661.409	PKBXTILPDKASQB-PVCZSOGJSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165086
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)CCc1ccccc1OP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	PC-id_135306932,SCHEMBL20475008	661.617	RAGVNZACEGYDIW-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-165087
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)COC(=O)CCc1ccccc1OP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20475006,PC-id_135306930	661.617	RAGVNZACEGYDIW-MUUNZHRXSA-N	00100010100000110001000010000000000000000000000000000000	25-01-165088
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)CO)(C(=O)NOC(=O)CCc1ccccc1OP(=O)(O)O)S(=O)(=O)C	PC-id_135306922,SCHEMBL20474997	661.617	PHLMRXSKJPPWRX-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-165089
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(CC1)CO)(C(=O)NOC(=O)CCc1ccccc1OP(=O)(O)O)S(=O)(=O)C	SCHEMBL20474996,PC-id_135306921	661.617	PHLMRXSKJPPWRX-MUUNZHRXSA-N	00100010100000110001000010000000000000000000000000000000	25-01-165090
CC(CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1COC(=O)CCc1ccccc1OP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	PC-id_135306915,SCHEMBL20474989	661.617	JYXQOJOQNYRJTH-ODCDIBDESA-N	00100010100000110001000010000000000000000000000000000000	25-01-165091
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1COC(=O)CCc1ccccc1OP(=O)(O)O)(C(=O)NO)S(=O)(=O)C	SCHEMBL20474988,PC-id_135306914	661.617	JYXQOJOQNYRJTH-QFWOEDSFSA-N	00100010100000110001000010000000000000000000000000000000	25-01-165092
Clc1cc(S(=O)(=O)N2C(c3n[nH]c(c3C2)CC(=O)c2c(NC3CCOCC3)cc(N3CCN(CC3)C)cc2)(C)C)cc(Cl)c1	PC-id_58524047	661.642	FQCXLDLGKWHOSI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165093
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C	PC-id_87243133	661.646	DYCJCMMTPJBUAV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165094
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C	PC-id_87243134	661.646	DLXJHOJKTRNISY-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165095
CCN(CCO)c1cc(c(cc1)N=C1C(=Nn2c1nnc2C(C)NC(=O)c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O)C(C)(C)C)C	PC-id_89315963	661.75	DIIVAAKMWKCUCG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165096
OCCN(c1ccc(c(c1)C)/N=C/1c2nnc(n2N=C1C(C)(C)C)C(NC(=O)c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O)C)CC	SCHEMBL14362202	661.75	DIIVAAKMWKCUCG-WMMMYUQOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165097
OOOSc1cc(cc(c1)S(=O)(=O)O)C(=O)NC(c1nnc2n1N=C(/C/2=N/c1ccc(cc1C)N(CCO)CC)C(C)(C)C)C	SCHEMBL14271643,PC-id_58776990	661.75	FFINSMWMEJHBJE-WMMMYUQOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165098
CCN(c1ccc(c(c1)NC1CCSCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)CCN(C)C	PC-id_68332568,SCHEMBL12639762	661.829	UFVAEKDIOGZOGC-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165099
O=C(N1CCC(CC1)S(=O)(=O)c1cc(Nc2sc3c(n2)CCC3)nc(c1)N(c1ccccc1)CCS(=O)(=O)C)OC(C)(C)C	PC-id_118628381,SCHEMBL17398119	661.856	JDCXNBXCPZBRKL-UHFFFAOYSA-N	00000010100010111001000010000000000000000000000000000000	25-01-165100
O(c1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(OCNCC(c1nc2n(n1)N=C(C2=Nc1ccc(N(CCO)CCO)cc1)C)C)C	PC-id_58693447	661.877	SJUDMBBRWODROA-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165101
CCCCC(CC)CNC(=O)c1c(ccc(c1)N(CC(CC)CCCC)CC(CC)CCCC)N=C1C(=Nn2c1nc(n2)C(C)C)CC	PC-id_89671878	662.006	PMTRUAXCAXIYIB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165102
CCCCC(CNC(=O)c1cc(ccc1/N=C
/C(=Nn2c1nc(n2)C(C)C)CC)N(CC(CCCC)CC)CC(CCCC)CC)CC	SCHEMBL15087426	662.006	PMTRUAXCAXIYIB-POTMTVGHSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165103
Brc1sc(Br)c2c1C(NCCCNC1CC(=O)c3c1c(Br)sc3Br)CC2=O	PC-id_397156	662.051	XJPIHZDMMXEDHA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165104
Brc1sc(c2c1[C@H](NCCCN[C@H]1CC(=O)c3c1c(Br)sc3Br)CC2=O)Br	CoCoCo_5771152	662.051	XJPIHZDMMXEDHA-KNVOCYPGSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165105
Brc1sc(c2c1[C@H](NCCCN[C@@H]1CC(=O)c3c1c(Br)sc3Br)CC2=O)Br	CoCoCo_5771153	662.051	XJPIHZDMMXEDHA-RNFRBKRXSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165106
Brc1sc(c2c1[C@@H](NCCCN[C@H]1CC(=O)c3c1c(Br)sc3Br)CC2=O)Br	CoCoCo_5771154,NSC704557	662.051	XJPIHZDMMXEDHA-BQBZGAKWSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165107
CC(=O)N1C2=C(C(SC2)CCCCCC(=O)OC(=O)CCCCCC3C4=C(CS3)N(C(=O)N4C(=O)C)C(=O)C)N(C1=O)C(=O)C	PC-id_154004649	662.208	DJWHLEDTRYAXRS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165108
CC(c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)CCCOS(=O)(=O)C)C(F)(F)F	PC-id_135360612,SCHEMBL20538971	662.601	HENJJCPVBIPZFL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165109
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(c(cc1)CCCOS(=O)(=O)C)C(F)(F)F	PC-id_135360683,SCHEMBL20539067	662.601	TZJMMSOAHVZICF-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165110
C[C@@H](c1ccc(cc1)C(=O)O)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(cc(c1)CCCOS(=O)(=O)C)C(F)(F)F	SCHEMBL20538970,PC-id_135360611	662.601	HENJJCPVBIPZFL-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165111
O=C(c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)CCCOS(=O)(=O)C)NC(c1ccc(cc1)C(=O)O)C	SCHEMBL18740225	662.601	TZJMMSOAHVZICF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165112
Clc1cc(S(=O)(=O)N2C(c3[nH]nc(NC(=O)c4c(NC5CCOCC5)cc(N5CCN(CC5)C)cc4)c3C2)(C)C)cc(Cl)c1	PC-id_57749857,SCHEMBL1374389	662.63	HPQYTXJJCVQXSX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165113
CCCCCCOC(=O)n1c2c(CN(C2)C(=O)C(c2ccccc2)OC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243153	662.631	MFEDJLCDFYFIIH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165114
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C)CC	SCHEMBL1434497	662.654	YFWUFQZTBXTNGI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165115
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OC(C)(C)C	SCHEMBL1434499	662.654	ALJXJGQASCKQIR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165116
O=C(c1c(Cn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)nn2c1CCC2)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1	ZINC22_2325830033	662.738	YRJXHMHOCWCPKV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165117
SCC(=O)NCC(=O)NCC(=O)NCC(=O)C(CCCCCS(=O)(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1)N	PC-id_141677139	662.777	XWJQSQDVFBKOAX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165118
SCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCCCCS(=O)(=O)NC(=O)C1CCn2c1ccc2C(=O)c1ccccc1	PC-id_141677111	662.777	WUNROVSDCORAKO-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165119
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	PC-id_4453825,EMOLS-id_22701494,MCULE-7403930044	662.779	XBBAUGZVYUTNPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165120
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2CCc2ccccc2)sc2c1CCC2	PC-id_99657085,CoCoCo_2662610,ZINC22_150392639	662.779	XBBAUGZVYUTNPW-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165121
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2CCc2ccccc2)sc2c1CCC2	PC-id_99657086,CoCoCo_2662609,ZINC22_150392642	662.779	XBBAUGZVYUTNPW-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165122
S(=O)(=O)(O)c1c(c(/N=C/2c3n(nc(n3)CCNS(=O)(=O)c3c(OC)cc(N(C)C)cc3)N=C2OC(C)C)c(cc1N(C)C)C)C	PC-id_59096224	662.781	OASUDMQVJLLXJO-QCKNELIISA-N	00000011100000110001000010000000000000000000000000000000	25-01-165123
CCCCCCCCCCCCS(=O)(=O)NCc1nnc2n1nc(/c/2=C/c1ccc(s1)N(CCCC)CC)C(=O)OCCCC	SCHEMBL13422316,PC-id_58856858	662.95	LJAWPWDNKVCTGW-FVDSYPCUSA-N	00000000100100000001000010000000000000000000000000000000	25-01-165124
S(=O)(=O)(NCc1n2nc(c(=Cc3sc(N(CCCC)CC)cc3)c2nn1)C(=O)OCCCC)CCCCCCCCCCCC	PC-id_72445346	662.95	LJAWPWDNKVCTGW-UHFFFAOYSA-N	00000000100100000001000010000000000000000000000000000000	25-01-165125
CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1CN(CCC2=CC=C(C=C2)F)C(=O)C3=CN4CCCC4=N3)OC5=CC=C(C=C5)F)C(C)(C)C	PC-id_146761204	663.36	RPLQHXQEXCOHJJ-CKBPRGDDSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165126
OCC(C(Cc1cc2c(n1C(=O)OC)cc(n2C(=O)OC)C=C1C=c2c(=[N+]1C(=O)OC)cc(n2C(=O)OC)CC(C(CO)O)O)O)O	PC-id_102265143	663.607	COOYFJLHLLWVHP-UHFFFAOYSA-N	00000010100000000000000110000000000000000000000000000000	25-01-165127
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCCOC	PC-id_87243186	663.619	YEIUMGZQNYLLQO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165129
CCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434662	663.639	ZWGPKIOBKFJHGR-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165130
CCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434660	663.639	ZWGPKIOBKFJHGR-GDLZYMKVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165131
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22701528,PC-id_5005949,MCULE-2562749000	663.807	FYWZJUMJYYJUOZ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165132
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2CCc2ccccc2)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22701496,MCULE-4543926959,PC-id_4608570	663.807	FKMZOMWXIRNDPW-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165133
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)Cc2ccc(cc2)OC)n1c1ccc(cc1)OCC	MCULE-6353074145,EMOLS-id_22701088,PC-id_3602692	663.807	HVSNXJRPTSIXNZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165134
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2c2cccc(C)c2C)sc2CCCc12	EMOLS-id_24429410,PC-id_4460780,MCULE-5008631968	663.807	WRTPWYLSGPLVGM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165135
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2c2cc(C)ccc2C)sc2CCCc12	MCULE-4823706092,EMOLS-id_24429412,PC-id_43947687	663.807	CUHDJRGDOIAUOR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165136
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2C)C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	CoCoCo_2662514,PC-id_99665755	663.807	WRTPWYLSGPLVGM-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165137
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2C)C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99665753,CoCoCo_2662513	663.807	WRTPWYLSGPLVGM-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165138
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	CoCoCo_2662020,PC-id_99656777	663.807	HVSNXJRPTSIXNZ-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165139
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCC2	PC-id_99656776,CoCoCo_2662019	663.807	HVSNXJRPTSIXNZ-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165140
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99665480,CoCoCo_2662515	663.807	CUHDJRGDOIAUOR-HXUWFJFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165141
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99665481,CoCoCo_2662516	663.807	CUHDJRGDOIAUOR-FQEVSTJZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165142
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	CoCoCo_2662654,PC-id_99663391	663.807	FYWZJUMJYYJUOZ-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165143
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99663389,CoCoCo_2662653	663.807	FYWZJUMJYYJUOZ-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165144
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2662611,PC-id_99657088	663.807	FKMZOMWXIRNDPW-FQEVSTJZSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165145
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2662612,PC-id_99657087	663.807	FKMZOMWXIRNDPW-HXUWFJFHSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165146
S(=O)(=O)(CCCCCCCCCCCC)CCCc1n2N=C(C(=Nc3c(cc(N(CCNS(=O)(=O)C)CC)cc3)C)c2nn1)C	PC-id_58599124	663.938	WUOCDGXNAIJPSB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165147
CC1CCC(C1NS(=O)(=O)C2=C3C=CCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278780	664.167	WUVQFOORLLTPDN-UHFFFAOYSA-N	00000011100000111001100010000000000000000000000000000000	25-01-165148
Clc1c(NC(=O)C(N2C(=O)C(OC2=O)(C)C)C(=O)c2noc3c2CCC3)ccc(S(=O)(=O)CCCCCCCCCCCC)c1	PC-id_20821001	664.209	LUBRDBCBXZLCIL-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165149
O=CN/N=c
/ccc(c(n1C)C)c1cc(N)cnc1C(Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F	PC-id_144668028	664.577	JQWOMWAHMWOIDV-UUKRNIFRSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165150
Nc1ccc(cc1)S(=O)NC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	PC-id_145296888	664.621	TYJJDZPKJKCZGS-RZBXZSQWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165151
COCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434875	664.627	WFCNJYZJAUCJLN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165152
COCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434874	664.627	WFXHYAIRPPDYOP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165153
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	PC-id_4653672,MCULE-9215994007,CoCoCo_2661158,EMOLS-id_24429216	664.752	XTOLGPLVDNKEKH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165154
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(cc2)N(=O)=O)n1c1ccc(cc1)OCC	EMOLS-id_22700994,MCULE-9421686248,PC-id_4376940	664.752	OMXHIAMAXKHPDH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165155
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(C)c(c3)[N+](=O)[O-])n2c2ccccc2OC)sc2CCCc12	MCULE-4326917002,EMOLS-id_22701038,PC-id_4605750	664.752	ZNUIPXRWHXMYDI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165156
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2c2ccccc2OC)sc2c1CCC2	PC-id_99656796,ZINC22_150391291,CoCoCo_2661950	664.752	ZNUIPXRWHXMYDI-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165157
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2c2ccccc2OC)sc2c1CCC2	ZINC22_150391290,PC-id_99656795,CoCoCo_2661949	664.752	ZNUIPXRWHXMYDI-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165158
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2c2ccc(OCC)cc2)sc2c1CCC2	PC-id_99656835,CoCoCo_2661894,ZINC22_150391442	664.752	OMXHIAMAXKHPDH-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165159
CO[C@@H](C(=O)N1Cc2c(C1)c(nn2C(=O)OCc1ccccc1)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1	SCHEMBL1434335	669.602	DDVXOUGHQOMZOC-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165222
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2c2ccc(OCC)cc2)sc2c1CCC2	PC-id_99656837,ZINC22_150391445,CoCoCo_2661893	664.752	OMXHIAMAXKHPDH-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165160
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)Cc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947658	664.752	JVEKACXTAGMPTC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165161
CN[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](C[C@H]1CN(C(=O)c1cn2c(n1)CCC2)CCc1ccc(cc1)F)Oc1ccc(cc1)F)C	SCHEMBL12442578,PC-id_53374581	664.785	LWZMDCSMLKZHQB-UBLMAXGISA-N	00000010100000110001000010000000000000000000000000000000	25-01-165162
Fc1ccc(OC2CC(N(C2)C(=O)C(NC(=O)C(NC)C)C(C)(C)C)CN(CCc2ccc(F)cc2)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_76026280	664.785	LWZMDCSMLKZHQB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165163
CCCCCCS(=O)(=O)Nc1nnc2n1[nH]c(c2/C=c/1c2nnc(n2nc1C(C)(C)C)NS(=O)(=O)CCCCCC)C(C)(C)C	PC-id_117787060	664.886	BRGIIMNIVCEQAO-VZCXRCSSSA-N	00000000100000000001000110000000000000000000000000000000	25-01-165164
CCCCCCS(=O)(=O)Nc1n[nH]c2n1nc(c2/C=c/1c2nnc(n2nc1C(C)(C)C)NS(=O)(=O)CCCCCC)C(C)(C)C	SCHEMBL16355180	664.886	AABZLWAKSMZAOP-VZCXRCSSSA-N	00000000100000000001000110000000000000000000000000000000	25-01-165165
O=C(Cn1nc(c2c1C(=O)CC2(F)F)CC(F)(F)F)CN[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_144504996	665.533	ZSFJULUTNFERHE-QHCPKHFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165166
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2c2ccc(cc2)N(=O)=O)sc2c(CCC2)c1C(=O)OCC	PC-id_4329502,MCULE-1609114159,CoCoCo_2661160,EMOLS-id_22699872	665.697	IMHJGENNULLFML-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165167
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947652	665.697	ORZOLQIXPJMWKO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165168
CC(CNC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)c1nn2c(n1)C(=NNc1nc(ns1)SCCS(=O)(=O)O)C(=N2)C(C)(C)C	PC-id_89330897	665.722	CYFXIAAMTRWBGM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165169
s1nc(SCCS(=O)(=O)O)nc1N/N=C/1C(=Nn2nc(nc12)C(CNC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)C)C(C)(C)C	PC-id_20594652	665.722	CYFXIAAMTRWBGM-RWPZCVJISA-N	00000011100000110001000010000000000000000000000000000000	25-01-165170
C=CCC/C(=CC(CCF)F)/S(=O)(=N)N1Cc2c(C1(C)C)nn(c2NC(=O)c1ccc(cc1F)N1CCN(CC1)C)C(=O)OCC	PC-id_143531829	665.77	FSEDURWXHPZQJD-PTGBLXJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165171
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661648,PC-id_4428128,EMOLS-id_22700662,MCULE-6127482434	665.78	VYRLCWLOWOIHFM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165172
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2c2ccccc2OC)sc2CCCc12	MCULE-7859003427,EMOLS-id_22701412,PC-id_4383459	665.78	FPNGWHNCFUZQKE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165173
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2ccccc2OC)sc2c1CCC2	PC-id_5218889,MCULE-9899624060,CHEMBL4471376,EMOLS-id_24429364	665.78	GJLLOKTZLWBJEY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165174
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	CoCoCo_2662489,PC-id_99657401	665.78	FPNGWHNCFUZQKE-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165175
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	CoCoCo_2662490,PC-id_99657404	665.78	FPNGWHNCFUZQKE-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165176
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2661991,PC-id_99656880	665.78	GJLLOKTZLWBJEY-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165177
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	CoCoCo_2661992,PC-id_99656882	665.78	GJLLOKTZLWBJEY-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165178
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1cc(OC)cc(OC)c1)c1ccc(OCC)cc1)C(=O)OCC	PC-id_43947701	665.78	NEWXAHXASQLOBN-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165179
Fc1cc(C(=O)NC2CCC(NC(=O)c3nn4c(CCC4)c3)CC2)c(Oc2cc(c3ccc(CCCN4CCNCC4)cc3)ccc2)nc1	SCHEMBL3204007,PC-id_59190406	665.799	ZCYLDHCGCDPRGU-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165180
Fc1cnc(c(c1)C(=O)N[C@@H]1CC[C@H](CC1)NC(=O)c1cc2n(n1)CCC2)Oc1cccc(c1)c1ccc(cc1)CCCN1CCNCC1	SCHEMBL3204001	665.799	ZCYLDHCGCDPRGU-YALZGCRRSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165181
Fc1cnc(c(c1)C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc2n(n1)CCC2)Oc1cccc(c1)c1ccc(cc1)CCCN1CCNCC1	SCHEMBL7964436	665.799	ZCYLDHCGCDPRGU-QRRGNZNSSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165182
CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N(CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1c2NCCn2nc1	PC-id_136414623	665.824	CHEZUMCDYWDEOO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165183
O=Cc1cc2c(n1CCN(c1nccc(c1COC(=O)C)c1cc(Nc3ccc(cn3)C3CCN(CC3)C)c(=O)n(c1)C)C)CC(C2)(C)C	SCHEMBL21018893,PC-id_138650473	665.824	RNVZIBNHVQCXSE-UHFFFAOYSA-N	00000010100010101000100010000000000000000000000000000000	25-01-165184
C=CCCCCCCC1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(=O)O	PC-id_143359405	665.864	MNMFLYRISOJUJS-SGQFXTJXSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165185
CCCCCC/C=CC1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(=O)O	SCHEMBL8246430	665.864	QPSLARXARZTAHD-DWQKXEFASA-N	00100010100000000001000010000000000000000000000000000000	25-01-165186
S1(=O)(=O)N(CC(NC(=O)NCC(=O)N2C(C(=O)NC3(C(C3)C=CCCCCCC)C(=O)O)CCC2)C(C)(C)C)Cc2sccc12	PC-id_77820461	665.864	QPSLARXARZTAHD-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165187
S1(=O)(=O)N(CC(NC(=O)NCC(=O)N2[C@H](C(=O)N[C@]3(C(C3)C=CCCCCCC)C(=O)O)CCC2)C(C)(C)C)Cc2sccc12	PC-id_70317679	665.864	QPSLARXARZTAHD-SGQFXTJXSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165188
s1c2C(C(=[N+](c2cc1)CCCCS(=O)(=O)O)/C=C/C=C/C=C/C=C/1N(c2c(scc2)C1(C)C)CCCCS(=O)(=O)O)(C)C	PC-id_11422555	665.927	KNAOGOKRMKCJHU-UHFFFAOYSA-O	00000011100000000000000010000000000000000000000000000000	25-01-165189
Ic1ccc(NCc2n(c(SCCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)c2ccccc2)cc1	PC-id_17047784	673.588	PSOSAOOSACDROM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165268
CC1CCC(C1NS(=O)(=O)C2=C3CCCN3C(=C2Cl)C(=O)NC4=CC(=NC(=C4)F)C#N)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278716	666.183	WRWUZWHFWCUDGA-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165190
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)I)C	SCHEMBL18758622	666.354	LRSNTSZEOVGHKO-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165191
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(I)cc(c1)C(F)(F)F)C	PC-id_140931278	666.354	OLYGYBBTLAUMMS-ZDUSSCGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165192
COC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(I)cc(c1)C(F)(F)F)C	SCHEMBL21081527,PC-id_138705365	666.354	OLYGYBBTLAUMMS-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165193
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1cc(OC)cc(OC)c1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947702	666.725	KQXWKHQRUYAQFR-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165194
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1cc(OC)c(OC)cc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947743	666.725	OVZPWTGDYJPYJG-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165195
CC1(c2c(CN1S(=O)(=O)c1cc(cc(c1)F)F)c(n[nH]2)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)NC(=O)C(=CC=CC=C)N)C	PC-id_89352621	666.741	ZFKBXKKVBQOBHW-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165196
C=C/C=CC=C(C(=O)Nc1cc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCN(CC1)C)/N	SCHEMBL14496003	666.741	ZFKBXKKVBQOBHW-VJNROCSVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165197
CN[C@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1CN(C(=O)c1cn2c(n1)CCC2)CCc1ccc(cc1)F)Oc1ccc(cc1)F)[C@H](OC)C)C	PC-id_68265230,SCHEMBL12442222	666.758	ODDIXRMORABJEJ-ZJDMLSMMSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165198
Fc1ccc(OC2CC(N(C2)C(=O)C(NC(=O)C(NC)C)C(OC)C)CN(CCc2ccc(F)cc2)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_77445128	666.758	ODDIXRMORABJEJ-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165199
O=C(NCc1ccccc1c1ccc(Cn2cncn2)cc1)c1c(Cn2cc(c3cccc(NCc4cccs4)c3)nn2)nn2c1CCC2	ZINC22_2325847903	666.797	VELKLEUEKDFWPO-UHFFFAOYSA-N	00000010100100110001100010000000000000000000000000000000	25-01-165200
CN[C@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)OC1=CC=C(CC1)F)C(C)(C)C)C	SCHEMBL18755057	666.801	BHIPOJPNTKUHQA-UBLMAXGISA-N	00000010100011110001000010000000000000000000000000000000	25-01-165201
Brc1c(OCc2c(Cl)cccc2F)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19658292	666.943	OYXBRTVXYWUJCK-JJKQSNDFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165202
Brc1c(OCc2c(Cl)cccc2F)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73632802	666.943	OYXBRTVXYWUJCK-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165203
CN1CCC(CC1)Oc1ccc(c(c1)NC(=O)c1cccn1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372332,PC-id_67009454	667.726	PKZUKEDDXHVPRA-UHFFFAOYSA-N	00000010110010110001000010000000000000000000000000000000	25-01-165204
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1ccc(cc1NC(=O)c1cccn1C)OCCN1CCCC1	PC-id_67008852,SCHEMBL1370760	667.726	ZLOYFXHNYARUJD-UHFFFAOYSA-N	00000010110000110001000010000000000000000000000000000000	25-01-165205
CN[C@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C[NH+](C(=O)c1cn2c(n1)CCC2)CCc1ccc(cc1)F)Oc1ccc(cc1)F)[C@H](OC)C)C	PC-id_144232852	667.766	ODDIXRMORABJEJ-ZJDMLSMMSA-O	00000010100000110001000010000000000000000000000000000000	25-01-165206
CCN(c1ccc(c(c1)NCc1ccc(cc1)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)CCN(C)C	SCHEMBL12640225,PC-id_68332615	667.769	KBBRPUBFKPPQKO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165207
CC(C)(C)OC(=O)NC(NC(=O)OC(C)(C)C)N(CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1c2NCCn2nc1	PC-id_136630623	667.84	WGRVXLRXZGDAKH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165208
CCCCCCCCC1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(=O)O	SCHEMBL8254626,PC-id_70321203	667.88	MQICACRFVSHYEX-SGQFXTJXSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165209
S1(=O)(=O)N(CC(NC(=O)NCC(=O)N2C(C(=O)NC3(C(C3)CCCCCCCC)C(=O)O)CCC2)C(C)(C)C)Cc2sccc12	PC-id_77822156	667.88	MQICACRFVSHYEX-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165210
CN1CCN(CC1)c1ccc(cc1)C(=O)[As]c1nn(c2c1CN(C2)C(=O)C(c1ccccc1)OC)C(=O)OCc1ccccc1	PC-id_87243110	668.594	DNOIVNLWADOZMT-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165211
S(=O)(=O)(O)CCCNc1ccc(OCCCc2nc3n(n2)N=C(/C/3=N/Nc2n(ncc2C#N)c2c(S(=O)(=O)O)cccc2)C)cc1	PC-id_21026765	668.704	PUWZQMCBNGTEMM-MKCFTUBBSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165212
S(=O)(=O)(O)CCCNc1ccc(OCCCc2nc3n(n2)N=C(C3=NNc2n(ncc2C#N)c2c(S(=O)(=O)O)cccc2)C)cc1	PC-id_73734480	668.704	PUWZQMCBNGTEMM-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165213
S(=O)(=O)(N1C(c2n[nH]c(c2C1)CC(=O)c1c(NC(=O)c2sccc2C)cc(N2CCN(CC2)C)cc1)(C)C)c1cc(F)cc(F)c1	PC-id_58524075	668.777	LYTNSWCCYPTCEV-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-165214
O=CN(c1nccc(c1CO)c1cc(Nc2ccc(cn2)C(=O)N2C(C)COCC2C)c(=O)n(n1)C)CCn1c(C)cc2c1CC(C2)(C)C	PC-id_138650443,SCHEMBL21018859	668.785	MKOPNFBNBDXCPW-UHFFFAOYSA-N	00000010100010101001100010000000000000000000000000000000	25-01-165215
O(c1cc(C(C)(C)C)c(cc1)C)C(C(=O)NCC(c1n2N=C(C(C)(C)C)/C(=N/c3c(NC(=O)C)cc(N4CCCCC4)cc3)/c2nn1)C)C	PC-id_20738825	668.871	PBYGYDBYDFFGAM-CDBUXVRNSA-N	00000011100010110001100010000000000000000000000000000000	25-01-165216
Brc1c(OCc2c(Cl)cccc2Cl)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_4385222	669.371	BNGHXUCYGNDHFQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165217
Brc1c(OCc2c(Cl)cccc2Cl)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_9660273	669.371	BNGHXUCYGNDHFQ-KLPHOBTLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165218
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_19659148	669.371	BFBYULAYKTXFAW-KLPHOBTLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165219
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OC	PC-id_73633644	669.371	BFBYULAYKTXFAW-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165220
COC(C(=O)N1Cc2c(C1)c(nn2C(=O)OCc1ccccc1)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1	SCHEMBL1434336	669.602	DDVXOUGHQOMZOC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165221
CN1CC(C1)Oc1cc(C(=O)N)c(cc1n1cccc1C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009445,SCHEMBL1372310	669.656	IHPXHBOVFXJODG-UHFFFAOYSA-N	00001010110000110001100010000000000000000000000000000000	25-01-165223
CN1CC(C1)Oc1cc(C(=O)N)c(cc1n1ccc(c1)C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67010343,SCHEMBL1374711	669.656	USRBEQYPLXXVHR-UHFFFAOYSA-N	00001010110000110001100010000000000000000000000000000000	25-01-165224
CN1CCN(CC1)c1ccc(c(c1)NC(=O)c1sccc1C)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372584,PC-id_57749873	669.765	PGZZJDXPBHCVLX-UHFFFAOYSA-N	00000010100110110001100010000000000000000000000000000000	25-01-165225
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2c2ccc(cc2)OCC)sc2c(CCC2)c1C(=O)OCC	MCULE-6891120937,PC-id_4054675,CoCoCo_2661406,EMOLS-id_22700286	670.199	GNOQGHILBGSWGQ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165226
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(c(OC)c2)OC)n1c1cccc(Cl)c1	PC-id_3597737,EMOLS-id_22701432,MCULE-1125995395	670.199	DCEYYCHHRXCLNC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165227
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccc(Cl)cc3)n2c2ccccc2OC)sc2CCCc12	PC-id_5204492,MCULE-9980169768,EMOLS-id_22701204	670.199	XLHUPJWUGJRVAL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165228
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99657428,CoCoCo_2662511	670.199	DCEYYCHHRXCLNC-QGZVFWFLSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165229
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99657429,CoCoCo_2662512	670.199	DCEYYCHHRXCLNC-KRWDZBQOSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165230
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)COc2ccc(cc2)Cl)C)sc2c1CCC2	CoCoCo_2662175,PC-id_99657192	670.199	XLHUPJWUGJRVAL-GOSISDBHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165231
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)COc2ccc(cc2)Cl)C)sc2c1CCC2	CoCoCo_2662176,PC-id_99657193	670.199	XLHUPJWUGJRVAL-SFHVURJKSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165232
Brc1n2C(C(C(O)(c2cc1Br)C(F)(F)F)CO)CCCN(C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_75295223	670.311	BWOQBOYUHJNNIN-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165233
Brc1n2[C@@H]([C@H]([C@@](O)(c2cc1Br)C(F)(F)F)CO)CCCN(C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	PC-id_49793794	670.311	BWOQBOYUHJNNIN-BUKPSGGLSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165234
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700780,CoCoCo_2661721,MCULE-2422806950,PC-id_4413594	670.597	MXPFKYWLTHFAEH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165235
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_4249976,EMOLS-id_22699690,MCULE-2197683205,CoCoCo_2661052	670.597	HIKVVCAXGTUOTE-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165236
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-6835837156,PC-id_3258552,EMOLS-id_24429282,CoCoCo_2661580	670.597	NWIVSTFDZXZOQL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165237
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22700202,MCULE-3147299893,PC-id_3450244,CoCoCo_2661358	670.597	NMKFKECWPAFQCC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165238
O=C(Cn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(F)(F)F)N[C@H](c1ncccc1c1cccc(c1)C(=O)N)Cc1cc(F)cc(c1)F	SCHEMBL18373302	670.629	GQENLYOYCPSKQT-VWLOTQADSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165239
s1c2c(CCC2)c(c1NC(=O)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(=O)Nc1sc2c(CCC2)c1C#N)C#N	PC-id_4863713	670.71	YYNQREPBDMZBIX-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165240
CO[C@@H]([C@@H](C(=O)N1C[C@H](C[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CC/C(=C/C=C(/F)C)/C)Oc1ccc(cc1)F)NC(=O)[C@@H](NC)C)C	SCHEMBL18754742	670.79	RBJHEBKHTFVODX-HKNKEQFWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165241
CCO[C@@H]([C@@H](C(=O)N1CCC[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)NC(=O)[C@@H](N(C(=O)OC(C)(C)C)C)C)C	PC-id_68265652,SCHEMBL12443512	670.814	OCUTZUPQEMASCE-NAJBNYMCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165242
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(N(C)C(=O)OC(C)(C)C)C)C(OCC)C)C(=O)c2nc3n(CCC3)c2)cc1	PC-id_77445324	670.814	OCUTZUPQEMASCE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165243
CCCCOc1ccc(cc1)OC(C(=O)NCC(c1nn2c(n1)/C(=Nc1ccc(cc1NC(=O)C)N1CCCCC1)/C(=N2)C(C)(C)C)C)C	SCHEMBL10233295,PC-id_57638483	670.844	JOBQRJQKXMRFIB-KCFYYHDHSA-N	00000011100010110001100010000000000000000000000000000000	25-01-165244
C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)c1	CoCoCo_2842466,ZINC22_150498669,MCULE-2005032313,EMOLS-id_43697275,PC-id_16273285	671.104	GUJMSXZLPYKENS-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165245
Clc1ccc(OCC(=O)NCc2n(c(SCC(=O)Nc3sc4c(CCC4)c3C(=O)OCC)nn2)c2ccc([N+](=O)[O-])cc2)cc1	PC-id_43947719	671.144	BYIFDJXMFAMWCL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165246
CC(C)[C@H]1c2c(CN1Cc1cc(c(cc1)OC(F)(F)F)Cl)sc(n2)NC(=O)Cc1ncc(cc1)S(=O)(=O)CCC1CCCC1	PC-id_134170849,SCHEMBL19772019	671.194	LBMFSOOEPGESCG-NDEPHWFRSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165247
CS(=O)(=O)C(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O	PC-id_135542838	671.432	LOURDFHQYMQTLU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165248
CS(=O)(=O)C(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_135443871	671.432	LVQWJBKBRAJSMZ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165249
CS(=O)(=O)C(c1c(n2c(n1)N=N/C/2=NC(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1/C(=N/C(=O)Nc1ccc(cc1)Cl)/N=N2)O	PC-id_135522651	671.432	LVQWJBKBRAJSMZ-RWRHWQIFSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165250
CS(=O)(=O)C(c1c(n2c(n1)N=N/C/2=N/C(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_136632938	671.432	LVQWJBKBRAJSMZ-ZZUJMJRNSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165251
CS(=O)(=O)C(c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O)c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O	PC-id_135441701	671.432	LOURDFHQYMQTLU-RWRHWQIFSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165252
CS(=O)(=O)C(C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O	ZINC22_150409795,PC-id_343465,CoCoCo_5636967,NSC382919,LI_194297	671.432	SSFZBCVVHRFRJW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165253
CS(=O)(=O)[C@@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_136873319	671.432	LVQWJBKBRAJSMZ-HNNXBMFYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165254
CS(=O)(=O)[C@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_136873320	671.432	LVQWJBKBRAJSMZ-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165255
CS(=O)(=O)[C@@H](C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=NC(=O)c2nnc(NC(=O)Nc3ccc(Cl)cc3)n12	ZINC22_150598089	671.432	QVLOLTXLYPSOKC-HNNXBMFYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165256
CS(=O)(=O)[C@H](C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=NC(=O)c2nnc(NC(=O)Nc3ccc(Cl)cc3)n12	ZINC22_150598091	671.432	QVLOLTXLYPSOKC-OAHLLOKOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165257
N1=C(n2c(C1=O)nnc2NC(=O)Nc1ccc(Cl)cc1)C(C1=Nc2n(C1=O)c(NC(=O)Nc1ccc(Cl)cc1)nn2)S(=O)(=O)C	MCULE-1773383453,PC-id_4567814,SPECS-id_AT-225/NB55261	671.432	QVLOLTXLYPSOKC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165258
CNc1cc(c2cccc(c2)C(=O)OC)c(nc1C=C)C(NC(=O)Cn1nc(c2c1C(F)(F)C(C2)C)C(F)F)Cc1cc(F)cc(c1)F	PC-id_142466205	671.632	XEJYYDLGYMWDBU-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165259
CN(CCOc1cc(C(=O)N)c(cc1n1ccc(c1)C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	SCHEMBL1374090,PC-id_67010160	671.672	SJHSHNWHJNSTMV-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-165260
CN(CCOc1cc(C(=O)N)c(cc1n1cccc1C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C	SCHEMBL1374096,PC-id_67010162	671.672	VJYBGGOYALHCNU-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-165261
ONC(=O)[C@](S(=O)(=O)C)(CCN1Cc2n(C1=O)cc(c2)C#CC#CC1(CC1)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C	PC-id_140898332	671.878	AKPUAKRYBXZKLA-PGUFJCEWSA-N	00100010100000110001000010000000000000000000000000000000	25-01-165262
CCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=NC4C(C5=C(S4)N=C(S5)N=NC6=CC=C(C=C6)N(CC)CC)C	PC-id_148911221	672.328	PIRBBKZJLTVRIS-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165263
CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1CN(CCC2=CC=C(C=C2)F)C(=O)C3=CN4CCCC4=N3)NC(=O)C5=CC=CC=C5)C(C)(C)C	PC-id_147928430	672.38	IJJSCXIWORVLDU-UGXUDPGPSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165264
[Te]1C(=[N+](c2c1scc2)CS(=O)(=O)[O-])C=C1[Te]c2sccc2N1CS(=O)(=O)[O-]	PC-id_59893156	672.68	UVCBXXIVCGJDCR-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-165265
CN1CCC(CC1)Oc1ccc(c(c1)NC(=O)C1CCOCC1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1371453,PC-id_67009083	672.743	VOKUZUPGSYCCDE-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165266
CC1=N[I-][I](C(=C1)C(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)NC1CC1c1ccccc1)C	PC-id_163961862	673.029	VMXXDYLPQWJXKE-UHFFFAOYSA-N	00100010100011110001100010000000000000000000000000000000	25-01-165267
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	MCULE-1670224593,PC-id_4230732,CoCoCo_2661274,EMOLS-id_22700072	673.726	ZHGPSAYQMKQALV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165269
ClC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_5143899	673.796	KDMOALCFMWDMDB-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165270
CN[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](CC1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)NC(=O)c1ccccc1)C	SCHEMBL12442746,PC-id_68265431	673.82	YJGOHKMSFVSPSP-QGSGYJRCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165271
CN[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](C[C@H]1CN(C(=O)c1nc2n(c1)CCC2)CCc1ccc(cc1)F)NC(=O)c1ccccc1)C	PC-id_53374975,SCHEMBL14704014	673.82	YJGOHKMSFVSPSP-ARFQCTDUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165272
Fc1ccc(CCN(CC2N(CC(NC(=O)c3ccccc3)C2)C(=O)C(NC(=O)C(NC)C)C(C)(C)C)C(=O)c2nc3n(c2)CCC3)cc1	PC-id_76026411	673.82	YJGOHKMSFVSPSP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165273
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	EMOLS-id_22699820,PC-id_3438304,MCULE-3936044542,ZINC22_150389894,CoCoCo_2661132	674.671	FHUDLUKSVJYHBV-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165274
s1c2c(CCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1c(cccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947749	674.671	NGTNEIPXWMTVNU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165275
[Te]1C(=[N+](c2c1scc2)CS(=O)(=O)O)C=C1[Te]c2sccc2N1CS(=O)(=O)O	PC-id_59893157	674.696	UVCBXXIVCGJDCR-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-165276
c1(C(=O)Nc2sc3CCCc3c2C(=O)OCC)c(c(Br)c(Br)c(Br)c1C(=O)O)Br	MCULE-2689483361,EMOLS-id_327749575	674.981	WNKIWFMWDGMJPU-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165277
O=S(=O)([O-])O.C1(=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=NOC(C(=O)O)(C)C)/c1nc(sn1)N)C[n+]1ccc2n1CCN2)C(=O)O	CHEMBL505131	675.672	CYPVPHIINHQXMG-RUBGNBDQSA-N	00001010100011000001001010000000000000000000000000000000	25-01-165278
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C	PC-id_87243042	675.673	ZELHOPDARSCIQI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165279
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C	PC-id_87243043	675.673	SWHZYUJZTHBNLA-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165280
CCCCCOC(=O)n1c2c(CN(C2)C(=O)Nc2c(cccc2CC)CC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243123	675.673	UVXINYMUTRAUTB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165281
CCCCCOC(=O)n1c2c(CN(C2)C(=O)N(CC)c2ccccc2CC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243124	675.673	WSERCVAUYDSSTG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165282
NC(=O)c1c(NC(=S)NC(=O)c2cc(I)cc(I)c2Br)sc2c1CCC2	ZINC22_150478306,PC-id_4504964	676.128	JFDQPVPXBHWUOZ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165283
ClC1c2n(N=C1C(C)(C)C)c(nn2)C(C(NC(=O)C(Oc1ccc(S(=O)Oc2ccc(Cc3ccccc3)cc2)cc1)C)(C)C)(C)C	PC-id_53823646	676.268	OLGDDPZRQILAIG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165284
CC1(C2=NNC(=C2CN1C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)CCCNC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)NC(=O)C=C)C	PC-id_164170472	676.349	ZUWNKAPCHYXZHM-JGCGQSQUSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165285
CC(=C)OC(=O)N1C(CCC1C(c1cnccc1)O)Cc1cc(c(cc1)NC(=O)C1CCc2c1nc(s2)Br)Br	PC-id_88973799	676.419	UPKOHPUCWWCHNJ-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165286
CC(=C)OC(=O)N1[C@@H](CC[C@@H]1[C@@H](c1cccnc1)O)Cc1ccc(c(c1)Br)NC(=O)[C@@H]1CCc2c1nc(s2)Br	SCHEMBL12877267	676.419	UPKOHPUCWWCHNJ-DKYNXLSCSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165287
CCOC(=O)n1c(c2CN(C(c2n1)(C)C)S(=O)(=O)c1cc(cc(c1)F)F)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)[As]	PC-id_87728451	676.566	ZSWUCMWAGPFECN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165288
s1c2c(CCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC)C(=O)OCC	PC-id_5099019	676.596	DZNIDALQEMHUIA-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165289
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1ccc(c(c1)C(F)(F)F)CCCOS(=O)(=O)C)C	SCHEMBL21081557,PC-id_138705394	676.627	ZVZDGRTUUSUBLV-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165290
COC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cc(CCCOS(=O)(=O)C)cc(c1)C(F)(F)F)C	PC-id_140931274	676.627	ZUJZWZNAXHEWIM-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165291
CCCCCCCOC(=O)n1c2c(CN(C2)C(=O)C(c2ccccc2)OC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243129	676.657	YUSVCDLLZBDXDG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165292
OCCN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(CNOC(=O)CCc1ccccc1OP(=O)(O)O)C	SCHEMBL18588045	676.674	CPWCNMQJHJYHDH-SSEXGKCCSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165293
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@@H]1Cn1nc2c(n1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C(=O)[O-])Cc1ccccc1	PC-id_118379267,SCHEMBL17093459	676.676	PMJNUVASRMAAEM-WNJJXGMVSA-M	00001010100000110001000010000000000000000000000000000000	25-01-165294
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@H]1Cn1nc2c(n1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C(=O)[O-])Cc1ccccc1	PC-id_118379269,SCHEMBL17093460	676.676	PMJNUVASRMAAEM-UHSQPCAPSA-M	00001010100000110001000010000000000000000000000000000000	25-01-165295
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C)CC	SCHEMBL1433795	676.681	VRNYZRZQTUKQNP-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165296
CCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434461	676.681	WATWZKDKFDYTEC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165297
CCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434459	676.681	PQCXMDOKMGKOGB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165298
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCC(C)(C)C	SCHEMBL1433798	676.681	MNNZIDUDOCLLPJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165299
Cc1nn2c(n1)C(=NNc1n[nH]c(c1[N+]#[C-])C(C)(C)C(C)(C)c1c(c(n[nH]1)NN=C1C(=Nn3c1nc(n3)C)C(C)(C)C)[N+]#[C-])C(=N2)C(C)(C)C	PC-id_88909751	676.781	PTJFDADGNKCUFC-UHFFFAOYSA-N	00000011100000000001000010000000000000000000000000000000	25-01-165300
S(=O)(=O)(NCCN(c1cc(c(/N=C/c3n(N=C2C)c(nn3)CCCc2ccc(NS(=O)Oc3ccc(cc3)C)cc2)cc1)C)CC)C	PC-id_20725964	676.852	ACJXXPSXILTYTC-LVYIWIAJSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165301
CCCCCCCCCCCCN(c1ccc(c(c1)OC)N=C1C(=Nn2c1nc(n2)C(C)(C)C)C(C)C)CCCCCCCCCCCC	PC-id_90445350,SCHEMBL16081347	677.061	OTHVILMIHWQTDD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165302
Brc1sc(c2c1C(=O)N(C2=O)CCCCCCCCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)Br	PC-id_140789723	677.562	NEHCQLXIVWFIAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165303
CCCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)C(c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434480	677.665	OCCAMOKEIAUGPZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165304
CCCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)[C@@H](c1ccccc1)OC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434479	677.665	OCCAMOKEIAUGPZ-SSEXGKCCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165305
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@@H]1Cn1nc2c(n1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C(=O)O)Cc1ccccc1	PC-id_118379268	677.684	PMJNUVASRMAAEM-WNJJXGMVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165306
COc1cc(OC)ccc1CN1C(=O)[C@H]([C@H]1Cn1nc2c(n1)CN(C2)S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C(=O)O)Cc1ccccc1	SCHEMBL17093458,PC-id_118379266	677.684	PMJNUVASRMAAEM-UHSQPCAPSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165307
CCCCCCCCOc1c(cc(cc1)C)S(=O)(=O)NCCCc1nnc2n1N=C(C2=Nc1cc(c(c(c1)Cl)O)Cl)C(C)(C)C	PC-id_136151297	677.685	MJSIYOPOUQBQCJ-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165308
CC(C(=O)NCC(C)(C)O)NS(=O)(=O)c1cnc2n1C(C(=O)N2Cc1cc(cc(c1)Cl)Cl)Cc1ccc(cc1)OC(F)(F)F	PC-id_91343537	678.507	GAWVQJRPGHXXNP-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165309
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1[AsH2])N1CCN(CC1)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL4787339	678.582	FFXZLCBVVMZNTH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165310
CCCCCCCCCCCCOCC1(COCCCCCCCCCCCC)Cc2c(C1)c(sc2Br)Br	PC-id_101549325	678.685	GWJUWASJEJEXNW-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165311
CCOC(=O)n1nc(c2c1C(C)(C)N(C2)C(=O)N[C@@H](c1ccccc1)CN(C)C)Nc1cccc(c1)NC(=O)c1ccc(cc1)NC(=O)C=C	PC-id_140963665	678.78	CKSXJIONPCWDMH-SSEXGKCCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165312
S(=O)(Oc1c(ccc(NS(=O)Oc2c(ccc(c2)C)C)c1)C)NCCc1nc2n(n1)N=C(C2=Nc1ccc(N(CC(=O)O)C)cc1)C	PC-id_20725920	678.782	UQCYRMYDKGGKAR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165313
O(Cc1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(C)C(=O)NCCc1nc2n(N=C(C2=Nc2c([N+]#[C-])cc(N3C(CCC3C)C)cc2)C)n1	PC-id_20738802	678.909	MISBYVYEFMYRQF-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165314
Clc1c(CNC(=O)C(C(F)(F)F)(C)C)ccc(Cl)c1C(=O)Nc1cc(C(=O)Nc2sc3CCCc3n2)c(OCC(F)F)cc1	PC-id_52919481	679.486	MWLMYDJCLCWOHD-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165315
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1cc([N+](=O)[O-])c(cc1)C)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947653	679.723	GQFXKGJNXIQOAT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165316
S(=O)(Oc1c(ccc(NS(=O)Oc2c(ccc(c2)C)C)c1)C)NCCn1nc2[n+](N=C(C2=Nc2ccc(N(CC(=O)O)C)cc2)C)c1	PC-id_20725919	679.79	UHYYEELECZVSOM-UHFFFAOYSA-O	00000011100000110001000010000000000000000000000000000000	25-01-165317
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccc(c(OC)c2)OC)n1c1ccc(cc1)OCC	MCULE-3276256476,PC-id_4063682,EMOLS-id_22701402	679.806	XPXYTCCMNLXDPC-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165318
c1(SC(C)C(=O)Nc2sc3c(CCC3)c2C(=O)OCC)nnc(CNC(=O)c2cc(OC)cc(OC)c2)n1c1ccc(cc1)OCC	MCULE-5196757717,EMOLS-id_24429362,PC-id_4384245	679.806	YRYSKCRHFQYDRO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165319
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99657375,CoCoCo_2662479	679.806	XPXYTCCMNLXDPC-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-165320
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCC2	PC-id_99657376,CoCoCo_2662480	679.806	XPXYTCCMNLXDPC-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165321
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	PC-id_99656862,CoCoCo_2661982	679.806	YRYSKCRHFQYDRO-IBGZPJMESA-N	00000010100000110001100010000000000000000000000000000000	25-01-165322
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)OCC)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCC2	PC-id_99656864,CoCoCo_2661981	679.806	YRYSKCRHFQYDRO-LJQANCHMSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165323
Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)[C@@H](NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740282	680.621	WPVUUOBTLLUKPA-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165324
Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)C(NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F)C	SCHEMBL18740284	680.621	WPVUUOBTLLUKPA-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165325
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1cc(OC)cc(OC)c1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947655	680.751	XPWFCLRQMLBKRI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165326
s1c2c(CCC2)c(c1NC(=O)C(Sc1n(c(nn1)CNC(=O)c1cc(OC)c(OC)cc1)c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_43947686	680.751	ROSMYINNYPKKEU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165327
CC1n2cc[n+](c2C[N+]1(CCCCC(C(=O)O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N)CC1=[N+](CC=[N+]1CC(=O)O)C)CC(=O)O	PC-id_90890308	680.796	DSXJJKLMSHUNNA-UHFFFAOYSA-R	00000011100000110001000010000000000000000000000000000000	25-01-165328
CCCN(c1cccc(n1)Nc1cc(cn(c1=O)C)c1ccnc(c1CO)N(CCn1c(C)cc2c1CC(C2)(C)C)C=O)CCNC(=O)C=C	SCHEMBL19315487	680.839	XKCIOVMHVYYPQB-UHFFFAOYSA-N	00000010100000101000100010000000000000000000000000000000	25-01-165329
Fc1ccc(cc1)CCN(C(=O)c1nc2n(c1)CCC2)C[C@@H]1CCCN1C(=O)[C@H](C1CCCCC1)NC(=O)[C@@H](N(C(=O)OC(C)(C)C)C)C	SCHEMBL14701669,PC-id_71260839	680.852	IPZKDVRNSUTBQV-PKLKWBPYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165330
Fc1ccc(cc1)CCN(C(=O)c1nc2n(c1)CCC2)C[C@@H]1CCCN1C(=O)[C@H](C1CCCCC1)NC(=O)C(N(C(=O)OC(C)(C)C)C)C	PC-id_68265226,SCHEMBL12442214	680.852	IPZKDVRNSUTBQV-CYFRKAKYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165331
Fc1ccc(CCN(CC2N(CCC2)C(=O)C(NC(=O)C(N(C)C(=O)OC(C)(C)C)C)C2CCCCC2)C(=O)c2nc3n(c2)CCC3)cc1	PC-id_77445124	680.852	IPZKDVRNSUTBQV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165332
CO[P+](C1SC2=C(S1)SC(=Cc1ccc(s1)C=C1SC3=C(S1)SC(S3)[P+](OC)(OC)[O-])S2)(OC)[O-]	PC-id_101204677	680.864	IEMZTTUNGMOCAB-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-165333
CCCCC(C(=O)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2	PC-id_143351786	680.879	FJGWJENWRFWFCH-FWDVVIQXSA-N	00000010100010000001000010000000000000000000000000000000	25-01-165334
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CC	PC-id_143353511	680.879	DXMQWQKHBREWRK-QQSKXVKOSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165335
CSCC[C@@H](C(=O)N[C@H]([C@H](C[C@H](C(=O)N[C@H](C(=O)NC(C)C)CC(C)C)C)O)CC(C)C)NC(=O)OCCn1nc(c2c1CCC2)C	PC-id_60096962,SCHEMBL8270706	680.942	FEJPNGGSPXVKNW-RTZVOMQCSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165336
S(CCC(NC(=O)OCCn1nc(c2c1CCC2)C)C(=O)NC(C(O)CC(C(=O)NC(CC(C)C)C(=O)NC(C)C)C)CC(C)C)C	PC-id_72646943	680.942	FEJPNGGSPXVKNW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165337
CC(c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F	SCHEMBL18740342	681.605	ZQYAIENGHRVVNX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165338
C[C@@H](c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)OC(F)(F)F	SCHEMBL18740341	681.605	ZQYAIENGHRVVNX-SFHVURJKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165339
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1	PC-id_87243074	681.636	KKDNFRRASVLWMG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165340
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1	PC-id_87243075	681.636	UQVHLEYWARBOMV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165341
CCOC(=O)c1c(NC(=O)CN(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)[C@H](Cc2ccccc2)C(=O)OC)sc2c1CCC2	PC-id_99679352,CoCoCo_3796585,ZINC22_150483121	681.819	SCTFXWYCSCAGKA-HSZRJFAPSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165342
CCOC(=O)c1c(NC(=O)CN(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)[C@@H](Cc2ccccc2)C(=O)OC)sc2c1CCC2	ZINC22_150483117,CoCoCo_3796584,PC-id_99679350	681.819	SCTFXWYCSCAGKA-QHCPKHFHSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165343
CCOC(=O)c1c(NC(=O)CN(C(C(=O)OC)Cc2ccccc2)CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)sc2c1CCC2	MCULE-6259283421,EMOLS-id_48986290,PC-id_3301233	681.819	SCTFXWYCSCAGKA-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165344
FC(F)(F)c1c(/N=C/c3n(nc(n3)CCNC(=O)C(Oc3c(C(CC)(C)C)cc(C(CC)(C)C)cc3)C)N=C2C)ccc(N(CC)CC)c1	PC-id_20725918	681.834	JAWDAQCNGCRDJQ-ULIXHMOOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165345
Brc1c(NC(=O)N2C(c3n(OC(=O)C(F)(F)F)nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(F)ccc1	PC-id_67236744,SCHEMBL1982838	682.464	ZPAWDEZGVZWYJL-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165346
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1)CC	SCHEMBL1434062	682.644	CSEJMUDPNMUBMJ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165347
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)Oc1ccccc1	SCHEMBL1434065	682.644	WHBVGUVRNQUNRI-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165348
O(C(=O)c1c(/N=N/c2c3n(nc2C)C(=NC3)C)n(nc1)c1ncccc1)C(=O)c1c(/N=N/c2c3n(nc2C)C(=NC3)C)n(nc1)c1ncccc1	PC-id_58090591	682.654	GDDFSFPLFHPMNM-LMXNTIJMSA-N	00000011100000101001100010000000000000000000000000000000	25-01-165349
O(C(=O)c1c(/N=N/c2c3n(N=C(C3)C)nc2C)n(nc1)c1ncccc1)C(=O)c1c(/N=N/c2c3n(N=C(C3)C)nc2C)n(nc1)c1ncccc1	PC-id_58113687	682.654	WOHUCUDONVTYNO-HVMBLDELSA-N	00000011100000101001100010000000000000000000000000000000	25-01-165350
CCC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@]2(C(S2)NC(=O)C3=COC4=C3COC4)C5CCCCCC5)F)C(=O)N6CCN(CC6)C	PC-id_154677355	683.315	XNEOTUQAZZRNIX-HPOVPTDRSA-N	00100010100010110101100010000000000000000000000000000000	25-01-165351
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OCC)cc(c1)/C=N/NC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_19658992	683.398	DGXOMADAJAQMPJ-JJKQSNDFSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165352
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OCC)cc(c1)C=NNC(=O)C(=O)Nc1sc2c(CCC2)c1C(=O)OCC	PC-id_73633489	683.398	DGXOMADAJAQMPJ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165353
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3nc(nc23)COc2ccc(cc2)C(=O)O)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_21032603	683.672	BEMJVIJWHMBKRD-JBASAIQMSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165354
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/C(=Nn3nc(nc23)COc2ccc(cc2)C(=O)O)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_58650664	683.672	BEMJVIJWHMBKRD-SWKFRHMKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165355
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3nc(nc23)COc2ccc(cc2)C(=O)O)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_73735502	683.672	BEMJVIJWHMBKRD-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165356
COc1cc(OC)ccc1CNc1nc(ccc1C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)N1CCOCC1	SCHEMBL1370799,PC-id_67008870	683.725	NWHRMBVCLRIPSA-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165357
CCc1cccc(c1NC(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CC	PC-id_44519477,SCHEMBL1899379	683.883	CHJZCPLLJQXHOC-ZQZAUALESA-N	00000010100010110001100010000000000000000000000000000000	25-01-165358
CCN(c1ccccc1CC)C(=O)N1Cc2c(C1)n(nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	PC-id_67204568,SCHEMBL1899381	683.883	MQFJJUXDBXSUTQ-CJSQLPAHSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165359
O(C1C(CCC(C1)C)C(C)C)C(=O)n1nc(NC(=O)c2ccc(N3CCN(CC3)C)cc2)c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC	PC-id_75040630	683.883	CHJZCPLLJQXHOC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165360
O(C1C(CCC(C1)C)C(C)C)C(=O)n1nc(NC(=O)c2ccc(N3CCN(CC3)C)cc2)c2c1CN(C2)C(=O)N(CC)c1c(CC)cccc1	PC-id_77240542	683.883	MQFJJUXDBXSUTQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165361
O(C(CCCC)C(=O)NCC(c1nc2n(n1)N=C(C2=Nc1c(cc(N(CC)CC)cc1)C)C)C)c1c(CCCCC)cc(CCCCC)cc1	PC-id_58652279	683.969	WJWOLOJKILJXHF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165362
CC(C)(C)OC(=O)N1CCC(CC1)CCN2C3=C(CCC3)C(=N2)C(=O)N4CCC(CC4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C	PC-id_153565234	684.407	MGIGKKPPJMCWOF-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165363
C1CC1(CNCC2=CN=C3N2CC(C3)OC(=O)C4=CC=C(C=C4)CNCC5(CC5)CNC6C[C@@H]6C7=CC=CC=C7)CN[C@H]8C[C@@H]8C9=CC=CC=C9	PC-id_155265991	684.415	QMCCSHNPTPROOD-NKQXVPETSA-N	00100010100000110001100010000000000000000000000000000000	25-01-165364
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661244,MCULE-2368969589,PC-id_4161297,EMOLS-id_22700018	684.624	POHOTSYFVFUVLH-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165365
CC1=Nn2c(nc(n2)C)C1=NNc1c(cnn1c1ccccn1)C(=O)OC(=O)c1c(n(nc1)c1ccccn1)NN=C1C(=Nn2c1nc(n2)C)C	PC-id_88983110	684.63	RRHJEPPLFAEMIQ-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-165366
CC1=Nn2c(nnc2C1=NNc1c(cnn1c1ccccn1)C(=O)OC(=O)c1c(n(nc1)c1ccccn1)NN=C1C(=Nn2c1nnc2C)C)C	PC-id_88873672	684.63	DDTMLULQYAOBKV-UHFFFAOYSA-N	00000011100000101001100010000000000000000000000000000000	25-01-165367
CNC(=O)c1cccc(c1)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(F)(F)F	SCHEMBL18357323	684.656	ADXWXIZHUJHLJI-SANMLTNESA-N	00000010100000111001100010000000000000000000000000000000	25-01-165368
CN(CCN(c1cc(C(=O)N)c(cc1n1ccc(c1)C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	PC-id_67009987,SCHEMBL1373659	684.713	DZPJCQYXJPQZAT-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-165369
CN(CCN(c1cc(C(=O)N)c(cc1n1cccc1C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F)C)C	SCHEMBL1373065,PC-id_67009770	684.713	BDWJEUKQEGUKDN-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-165370
Clc1ccc(OCC(=O)NCc2n(c(SC(C(=O)Nc3sc4c(CCC4)c3C(=O)OCC)C)nn2)c2ccc([N+](=O)[O-])cc2)cc1	PC-id_43947670	685.17	HEQOCAWFBMBYQZ-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165371
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	MCULE-1778464434,EMOLS-id_22699772,CoCoCo_2661102,ZINC22_150424442,PC-id_4073871	685.569	QUBYGTAIKIVIKT-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165372
O=CN(Cc1ccc(cc1C)c1cc(N)c(nc1C(Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1C(F)(F)C(C2)C)C(F)F)C=N)C	PC-id_142466269	685.662	JWRPQEKRUOZWDO-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165373
CC(C)(C)OC(=O)N1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)C[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N	PC-id_149399929	687.228	YPEOGLVOVOKQTL-HXUWFJFHSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165374
Clc1ccc(N(C2CCN(CC2)c2ccc(OC3CCN(CC3)Cc3ccc(OC[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)C)cc1	PC-id_53469835	687.228	GNLWVNCQBNCMIM-DIPNUNPCSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165375
Clc1ccc(N(C2CCN(CC2)c2ccc(OC3CCN(CC3)Cc3ccc(OCC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)C)cc1	PC-id_76037157	687.228	GNLWVNCQBNCMIM-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165376
CC1=C(C(=CC=C1)C2CCC(CC2)CCN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)C	PC-id_153565223	687.422	MTKPRFFWMRVODO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165377
Cc1nn2c(nc(n2)C(C)CNC(=O)CC(C)C)/c/1=Cc1c([nH]n(c1=O)c1c(cc(cc1Cl)Cl)Cl)NCOc1cccc(c1)OC	PC-id_136117495	688.004	MADIQFCBBJXRII-XKZIYDEJSA-N	00000000100000110001100010000000000000000000000000000000	25-01-165378
Cc1nn2c(nc(n2)C(C)CNC(=O)CC(C)C)c1=Cc1c([nH]n(c1=O)c1c(cc(cc1Cl)Cl)Cl)NCOc1cccc(c1)OC	PC-id_136654885	688.004	MADIQFCBBJXRII-UHFFFAOYSA-N	00000000100000110001100010000000000000000000000000000000	25-01-165379
COc1cccc(c1)OCNc1nn(c(c1/C=c
/c(C)nn2c1nc(n2)C(CNC(=O)CC(C)C)C)O)c1c(Cl)cc(cc1Cl)Cl	SCHEMBL13616154	688.004	DYIFVHTWNSITBB-XKZIYDEJSA-N	00000000100000110001100010000000000000000000000000000000	25-01-165380
CC1=C(C(=CC=C1)N2CCC(CC2)CCN3C4=C(CCC4)C(=N3)C(=O)N5CCC(CC5)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)C	PC-id_153565247	688.417	GTRBPLLCUFPGDQ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165381
BrC1(C2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2SCCn2c1	PC-id_72764596	688.483	YGCDEYAMLDNYRW-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-165382
Br[C@@]1([C@H]2SC=C(N2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2SCCn2c1	PC-id_11239373	688.483	YGCDEYAMLDNYRW-KHMOSXFSSA-N	00001011100000110001001010000000000000000000000000000000	25-01-165383
CC(C)(C)OC(=O)N1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	SCHEMBL14487767,PC-id_89351087	688.62	FPYTXJDBHOGKFT-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165384
CC(C)(C)OC(=O)N1Cc2c(n(nc2C1)CC(=O)NCC(c1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	PC-id_89350627,SCHEMBL14484698	688.62	WLYFCJIXOCIQHL-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165385
CC(C)(C)OC(=O)N1Cc2c(n(nc2C1)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	SCHEMBL14484694,PC-id_89350625	688.62	DHVQCKGTKQFVKK-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165386
CC(C)(C)OC(=O)N1CCc2c1c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)C(F)(F)F	PC-id_89369895,SCHEMBL15708231	688.62	MNPBEBJVCHUQHC-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165387
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc2c(c1C(F)(F)F)CN(C2)C(=O)OC(C)(C)C	SCHEMBL14484696	688.62	DHVQCKGTKQFVKK-VWLOTQADSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165388
O=C(Cn1nc(c2c1CCN2C(=O)OC(C)(C)C)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14555502	688.62	MNPBEBJVCHUQHC-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165389
O=C(Cn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14487769	688.62	FPYTXJDBHOGKFT-VWLOTQADSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165390
CCCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Sc2c(C1)scc2	SCHEMBL13250250,PC-id_70864019	688.944	HJODSKKCBAUYGJ-APMYCHNISA-N	00100010100010000001010010000000000000000000000000000000	25-01-165391
S1N(CC2(NC(=O)NC(C(=O)N3C(C4C(C4C3)(C)C)C(=O)NC(CCCC)C(=O)C(=O)N)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_77932920	688.944	HJODSKKCBAUYGJ-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165392
CC([Si](c1ccccc1)(c1ccccc1)OCC1(CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)Cc2c(C1)c(sc2C)C)(C)C	PC-id_59850434,SCHEMBL14006915	689.108	SWTSXIQKJXZGCI-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165393
CCCCCCOC(=O)n1c2c(CN(C2)C(=O)Nc2c(cccc2CC)CC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243131	689.699	WZTRDCBXJPJMAG-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165394
CCCCCCOC(=O)n1c2c(CN(C2)C(=O)N(CC)c2ccccc2CC)c(n1)[As]C(=O)c1ccc(cc1)N1CCN(CC1)C	PC-id_87243132	689.699	GDNHAYPNRWAVGZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165395
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	ZINC22_150391049,MCULE-4631635629,PC-id_4183535,EMOLS-id_22700704,CoCoCo_2661672	689.725	KJMAEPJYAMEQMI-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165396
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2cccc(c2)C(F)(F)F)sc2c(CCC2)c1C(=O)OCC	CoCoCo_2661233,MCULE-5459565121,PC-id_4412602,EMOLS-id_22700004	689.725	QBEJUWGYCNYDJU-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165397
OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1cccc(c1)NC(=O)c1cccc(c1)NCc1cn2c(n1)SCC2)O	PC-id_66845629,SCHEMBL926293	689.864	WQGQBJZHWCXKHG-DHUJRADRSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165398
OCc1cc(ccc1O)[C@@H](CNCCCCCCOCCOCc1cccc(c1)NC(=O)c1cccc(c1)NCc1cn2c(n1)SCC2)O	SCHEMBL926295,PC-id_66845666	689.864	WQGQBJZHWCXKHG-PGUFJCEWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165399
S1CCn2c1nc(c2)CNc1cc(ccc1)C(=O)Nc1cc(COCCOCCCCCCNCC(O)c2cc(c(O)cc2)CO)ccc1	PC-id_77195872	689.864	WQGQBJZHWCXKHG-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165400
C[C@@H]1N[C@H](C)CN(C1)CCCc1ccc(cc1)c1cccc(c1)Oc1ncc(cc1C(=O)NC1CCC(CC1)NC(=O)c1cc2n(n1)CCC2)C	PC-id_143900871	689.889	DPUMBDVFGGXKMT-SMIJZIBBSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165401
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3Cl)n2c2ccccc2OC)sc2CCCc12	CoCoCo_2661428,MCULE-8817796494,EMOLS-id_22700320,PC-id_5054804	690.617	MJYBFMAKAPZYOM-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165402
CC(CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(C1)CCO)(C(=O)NOC(=O)CCc1ccccc1OP(=O)(O)O)S(=O)(=O)C	SCHEMBL20484910,PC-id_135315432	690.658	ZRGGEHYJRXRALN-UHFFFAOYSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165403
OCCN1CC(C1)C#CC#Cc1cn2c(c1)CN(C2=O)CC[C@@](S(=O)(=O)C)(C(=O)NOC(=O)CCc1ccccc1OP(=O)(O)O)C	PC-id_140904877	690.658	ZRGGEHYJRXRALN-SSEXGKCCSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165404
CCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)N(c1ccccc1CC)CC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434496	690.707	RFHOGENCAMVVGD-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165405
CCCCCCOC(=O)n1nc(c2c1CN(C2)C(=O)Nc1c(CC)cccc1CC)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C	SCHEMBL1434493	690.707	NZOMEVUACOXOHU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165406
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NCCN1Cc2c(S1(=O)=O)ccs2)CC1CC1	PC-id_70320130,SCHEMBL8251986	690.874	GOYSHAKCYNNBCG-KIYURZQBSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165407
Brc1cc(CC2(N(C(CC2)C(O)c2cccnc2)C(=O)O)C(C)(C)C)ccc1NC(=O)C1CCc2sc(Br)nc12	PC-id_77217792	692.462	ZVYJYNYNTQARAM-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165423
S1(=O)(=O)N(CCNC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CC2CC2)C(=O)C(=O)NCC=C)C(C)(C)C)Cc2sccc12	PC-id_77821603	690.874	GOYSHAKCYNNBCG-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165408
O(c1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(C(=O)NCCc1n2/C(=N/c3c(cc(N4CC(O)CC4)cc3)CC)/C(=C(c2nn1)C#N)[N+]#[C-])C	PC-id_59091105	690.877	HCQIURPLXOMTCL-QDIWCCNHSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165409
CCCCC(CC)C(=O)Nc1c(c(c([nH]1)C=c1c(nn2c1nc(n2)C(C)C)CC)C(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C	PC-id_137154010	691.001	JTTILYXFJUPFGF-UHFFFAOYSA-N	00000000110010000001000010000000000000000000000000000000	25-01-165410
CCCCC(CC)C(=O)Nc1c(c(c([nH]1)/C=c
/c(nn2c1nc(n2)C(C)C)CC)C(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C	SCHEMBL17732438,PC-id_137026384	691.001	JTTILYXFJUPFGF-QYQHSDTDSA-N	00000000110010000001000010000000000000000000000000000000	25-01-165411
CCCCCCCCCCCCN(c1ccc(c(c1)OC)N=C1C(=Nn2c1nc(n2)C(C)(C)C)CC(C)C)CCCCCCCCCCCC	SCHEMBL16085739,PC-id_90448996	691.087	SICQRJGIFJDJBR-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165412
CCCCC(CC)C(=O)NC1=C(C(=C(N1)N=C2C(=NN3C2=NC(=N3)C(C)C)CC)C(C)C)C(=O)OC4C(CC(CC4C(C)(C)C)C)C(C)(C)C	PC-id_160727012	691.515	DZPJRSPNHHRSEU-UHFFFAOYSA-N	00000011110010000001000010000000000000000000000000000000	25-01-165413
Cc1ccc(c2cn(Cc3nn4c(c3C(=O)N[C@@H](Cc3ccncc3)c3ccc(Cl)c(Cl)c3)CCC4)nn2)cc1C(=O)Nc1ccccc1	ZINC22_2325830599	691.608	MVSHBMHQWPNCBR-HKBQPEDESA-N	00000010100000111001100010000000000000000000000000000000	25-01-165414
Cc1ccc(c2cn(Cc3nn4c(c3C(=O)N[C@H](Cc3ccncc3)c3ccc(Cl)c(Cl)c3)CCC4)nn2)cc1C(=O)Nc1ccccc1	ZINC22_2325830600	691.608	MVSHBMHQWPNCBR-WJOKGBTCSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165415
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC(C(=O)Nc1ccc(cc1)CCCc1nnc2n1N=C(/C/2=N/c1ccc(cc1)N(C)C)C)C	SCHEMBL14364417	691.799	DCEAGVPFBGGZTM-DIGXQUICSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165416
S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1ccc(OC(C(=O)NCCc2nc3n(n2)N=C(C3=Nc2c(cc(NC)cc2)C)C)C)cc1	PC-id_21351141	691.799	YQWFSBZTSNEPHH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165417
S(=O)(=O)(c1ccc(OC(C(=O)Nc2ccc(CCCc3n4N=C(C(=Nc5ccc(N(C)C)cc5)c4nn3)C)cc2)C)cc1)c1ccc(O)cc1	PC-id_58693422	691.799	DCEAGVPFBGGZTM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165418
CCCCCC/C=CC1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC(C1CCCCC1)CN1Cc2c(S1(=O)=O)ccs2)C(=O)O	SCHEMBL8246117	691.901	WFWAFCBJLZNCHD-AVVQGZGBSA-N	00100010100010000001000010000000000000000000000000000000	25-01-165419
S1(=O)(=O)N(CC(NC(=O)NCC(=O)N2C(C(=O)NC3(C(C3)C=CCCCCCC)C(=O)O)CCC2)C2CCCCC2)Cc2sccc12	PC-id_77820417	691.901	WFWAFCBJLZNCHD-UHFFFAOYSA-N	00100010100010000001000010000000000000000000000000000000	25-01-165420
S1(=O)(=O)N(CC(NC(=O)NCC(=O)N2[C@H](C(=O)N[C@]3(C(C3)C=CCCCCCC)C(=O)O)CCC2)C2CCCCC2)Cc2sccc12	PC-id_70317564	691.901	WFWAFCBJLZNCHD-WCENLQTQSA-N	00100010100010000001000010000000000000000000000000000000	25-01-165421
CCCCC(CC)C(=O)Nc1c(c(c([nH]1)/N=C
/C(=Nn2c1nc(n2)C(C)C)CC)C(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C	SCHEMBL17590188,PC-id_136937258	691.989	DZPJRSPNHHRSEU-WMKNYXQDSA-N	00000011110010000001000010000000000000000000000000000000	25-01-165422
Brc1cc(C[C@]2(N([C@H](CC2)[C@H](O)c2cccnc2)C(=O)O)C(C)(C)C)ccc1NC(=O)[C@@H]1CCc2sc(Br)nc12	PC-id_66924494,SCHEMBL1155631	692.462	ZVYJYNYNTQARAM-PPDVTZOQSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165424
Brc1cc(C[C@]2(N([C@H](CC2)[C@H](O)c2cccnc2)C(=O)O)C(C)(C)C)ccc1NC(=O)[C@H]1CCc2sc(Br)nc12	SCHEMBL1155711,PC-id_66924503	692.462	ZVYJYNYNTQARAM-JUUFZCOSSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165425
Brc1cc(C[C@H]2N([C@H](CC2)[C@H](O)c2cccnc2)C(=O)OC(C)(C)C)ccc1NC(=O)[C@@H]1CCc2sc(Br)nc12	PC-id_58125118,SCHEMBL1155628	692.462	ULUAVQVKEUOXCM-DKYNXLSCSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165426
Brc1cc(C[C@H]2N([C@H](CC2)[C@H](O)c2cccnc2)C(=O)OC(C)(C)C)ccc1NC(=O)[C@H]1CCc2sc(Br)nc12	SCHEMBL1155709,PC-id_58125177	692.462	ULUAVQVKEUOXCM-NVNZTLJMSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165427
CC(C)(C(=O)O)O/N=C(/c1nsc(n1)N)C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1cc(c2n1CCN2)N(CCCN)C(=N)N)C(=O)O	PC-id_135581718	692.75	IJURNSYXLSSZHF-FQSRXVFLSA-O	00001010100011000001001010000000000000000000000000000000	25-01-165428
CC(C)(C(=O)O)O/N=C(c1nsc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1cc(c2n1CCN2)N(CCCN)C(=N)N)C(=O)O	PC-id_136414627	692.75	IJURNSYXLSSZHF-CPSBXPDZSA-O	00001010100011000001001010000000000000000000000000000000	25-01-165429
S(=O)(OC)NCCN(c1cc(c(/N=C/c3n(nc(n3)C(CNC(=O)C(Oc3c(cc(cc3)C)C)CCCCCC)C)N=C2C)cc1)C)CC	PC-id_20701600	692.914	JDGHNYJINMEZBQ-YQOUJOJOSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165430
O=C(NCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(Cn2cc(c3cccc(NCc4ccccc4)c3)nn2)nn2c1CCC2	ZINC22_2325836997	693.217	ACVLFDWMYRYMTF-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165431
S(=O)(On1c(O)c2C(CC(c2c1O)CC)CC)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_53681508	693.372	BGXQZKDCTHJVKF-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165432
C[C@@H]1CN(CCCc2cccc(c2)c2cccc(c2)Oc2ncc(cc2C(=O)NC2CCC(CC2)NC(=O)c2nn3c(c2)CCC3)F)C[C@@H](N1)C	SCHEMBL3212545,PC-id_59190418	693.853	DOOJPSHUAUASFV-WBSOBRCHSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165433
C[C@@H]1CN(CCCc2cccc(c2)c2cccc(c2)Oc2ncc(cc2C(=O)N[C@@H]2CC[C@H](CC2)NC(=O)c2nn3c(c2)CCC3)F)C[C@@H](N1)C	SCHEMBL3212542	693.853	DOOJPSHUAUASFV-HNUBFZAVSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165434
C[C@@H]1CN(CCCc2cccc(c2)c2cccc(c2)Oc2ncc(cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2nn3c(c2)CCC3)F)C[C@@H](N1)C	SCHEMBL7951525	693.853	DOOJPSHUAUASFV-XZYRDJQFSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165435
C[C@@H]1N[C@H](C)CN(C1)CCCc1ccc(cc1)c1cccc(c1)Oc1ncc(cc1C(=O)NC1CCC(CC1)NC(=O)c1cc2n(n1)CCC2)F	PC-id_44518334,SCHEMBL3211914	693.853	MATKFQYTRKORQR-WBSOBRCHSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165436
C[C@@H]1N[C@H](C)CN(C1)CCCc1ccc(cc1)c1cccc(c1)Oc1ncc(cc1C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc2n(n1)CCC2)F	SCHEMBL12680000	693.853	MATKFQYTRKORQR-XZYRDJQFSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165437
C[C@@H]1N[C@H](C)CN(C1)CCCc1ccc(cc1)c1cccc(c1)Oc1ncc(cc1C(=O)N[C@@H]1CC[C@H](CC1)NC(=O)c1cc2n(n1)CCC2)F	SCHEMBL3204035	693.853	MATKFQYTRKORQR-HNUBFZAVSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165438
Fc1cc(C(=O)NC2CCC(NC(=O)c3nn4c(CCC4)c3)CC2)c(Oc2cc(c3ccc(CCCN4CC(NC(C4)C)C)cc3)ccc2)nc1	PC-id_75040097	693.853	MATKFQYTRKORQR-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165439
Fc1cc(C(=O)NC2CCC(NC(=O)c3nn4c(CCC4)c3)CC2)c(Oc2cc(c3cc(CCCN4CC(NC(C4)C)C)ccc3)ccc2)nc1	PC-id_72539177	693.853	DOOJPSHUAUASFV-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165440
O(C1C(n2nnc(c2C1OC(=O)c1ccccc1)COC(=O)c1ccccc1)CCCCCCCCCCCCCCC)C(=O)c1ccccc1	PC-id_76387263	693.871	GZROMUIIHHWHAV-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165441
O([C@H]1[C@@H](n2nnc(c2[C@H]1OC(=O)c1ccccc1)COC(=O)c1ccccc1)CCCCCCCCCCCCCCC)C(=O)c1ccccc1	PC-id_56652502	693.871	GZROMUIIHHWHAV-PNCUYYDSSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165442
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CCC	PC-id_70321958,SCHEMBL8256232	694.905	PYINPJZENSKAMF-QGDTYERNSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165443
S1(=O)(=O)N(CC(NC(=O)NC(C(C)(C)C)C(=O)N2C(CCC2)C(=O)NC(CCC)C(=O)C(=O)NCC=C)C(C)(C)C)Cc2sccc12	PC-id_77822581	694.905	PYINPJZENSKAMF-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165444
CCCCCCC(OCNCC(C)c1nn2c(n1)C(=Nc1c(cc(cc1)N(CC)CCNS(=O)(=O)C)C)C(=N2)C)Oc1c(cc(cc1)C)C	PC-id_90709850	694.93	DNXMMNMQAJSBDI-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165445
CCc1c(c(ccc1)CC)NC(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCc1ccccc1	PC-id_87243250	695.662	AQKPUFZXXAUVMX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165446
CCc1ccccc1N(CC)C(=O)N1Cc2c(C1)n(nc2[As]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCc1ccccc1	PC-id_87243252	695.662	BKZZWOLARCASJN-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165447
CCOC(=O)n1c2c(CN(C2(C)C)C(=O)OC(C)(C)C)c(n1)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)N(CCOC)C(=O)C(F)(F)F	PC-id_87320162,SCHEMBL1985484	695.73	NLZGXWVCNNRRFB-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165448
C[C@@H]1CC[C@H](C(C1)OC(=O)[N+]1(N=C(c2c1scc2)NC(=O)c1ccccc1NC(=O)c1cc[nH]c1)C(=O)NC(c1ccccc1)(C)C)C(C)C	PC-id_67206789,SCHEMBL1905193	695.85	BVQYFHKUWGDNFN-QQTZUBRVSA-O	00000011110010110001000010000000000000000000000000000000	25-01-165449
s1c2[N+](N=C(NC(=O)c3c(NC(=O)c4c[nH]cc4)cccc3)c2cc1)(C(=O)OC1C(CCC(C1)C)C(C)C)C(=O)NC(c1ccccc1)(C)C	PC-id_77240775	695.85	BVQYFHKUWGDNFN-UHFFFAOYSA-O	00000011110010110001000010000000000000000000000000000000	25-01-165450
Clc1c(NC(=O)Nc2nn3CC(=C(c3c2C#N)C#N)C(F)(F)F)cc(NS(=O)(=O)CCCCCCCCCCCCCCCC)cc1	PC-id_60113938	696.226	JREIZTHJXCTPRK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165451
CCc1cccc(c1NC(=O)N1Cc2c(C1)c(nn2C(=O)OCc1ccccc1)[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)CC	SCHEMBL1435299	696.67	CIAXUIJBZGQAHH-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165452
CCc1ccccc1N(C(=O)N1Cc2c(C1)n(nc2[AsH]C(=O)c1ccc(cc1)N1CCN(CC1)C)C(=O)OCc1ccccc1)CC	SCHEMBL1435302	696.67	XLESYBOTLSOZKZ-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165453
CCCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1nc2c(s1)CCC2)NC(=O)OCc1ccccc1	PC-id_134313949,SCHEMBL19934604	696.857	JOVXDSIHEMZZIU-MNUOIFNESA-N	00000010100000110001000010000000000000000000000000000000	25-01-165454
O=C(Cn1nc(c2c1COC2)C(I)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_144505816	697.395	OZUGZWLJYQGHPS-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165455
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3nc(nc23)COc2ccc(cc2)C(=O)OC)C(C)(C)C)C#N)C)ccc(S(=O)(=O)O)c1	PC-id_21032598	697.699	VVCDFRRAMNMZRS-UQRQXUALSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165456
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/C(=Nn3nc(nc23)COc2ccc(cc2)C(=O)OC)C(C)(C)C)C#N)C)ccc(S(=O)(=O)O)c1	PC-id_58650661	697.699	VVCDFRRAMNMZRS-SXBRIOAWSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165457
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3nc(nc23)COc2ccc(cc2)C(=O)OC)C(C)(C)C)C#N)C)ccc(S(=O)(=O)O)c1	PC-id_73735498	697.699	VVCDFRRAMNMZRS-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165458
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1NC(=O)c1ccc[nH]1)N1CCOCC1)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1372185,PC-id_67009382	697.709	JDWUNUPTXIICCG-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-165459
CN1CCC(CC1)Oc1cc(C(=O)N)c(cc1n1ccc(c1)C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	PC-id_67009067,SCHEMBL1371424	697.709	SUZCEKBTXNICNZ-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-165460
CN1CCC(CC1)Oc1cc(C(=O)N)c(cc1n1cccc1C(=O)O)C(=O)Nc1n[nH]c2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370366,PC-id_67008695	697.709	GDWKDSXHZXHGAZ-UHFFFAOYSA-N	00000010110010110001100010000000000000000000000000000000	25-01-165461
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(c(cc1C(=O)N)OCCN1CCCC1)n1ccc(c1)C(=O)O	PC-id_67008996,SCHEMBL1371221	697.709	HMRHLCPYGDBAPN-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-165462
Fc1cc(F)cc(c1)S(=O)(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cc(c(cc1C(=O)N)OCCN1CCCC1)n1cccc1C(=O)O	PC-id_67009087,SCHEMBL1371462	697.709	LCGXDBAGNBMWSX-UHFFFAOYSA-N	00000010110000110001100010000000000000000000000000000000	25-01-165463
CSCC[C@@H](C(=O)N[C@H]([C@H](C[C@H](C(=O)N[C@H](C(=O)NC(C)C)CC(C)C)C)O)CC(C)C)NC(=O)OCCn1nc(c2c1CSC2)C	SCHEMBL8270711,PC-id_60096817	698.98	WGGDZURCWYEKOS-QYBBCTCVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165464
S(CCC(NC(=O)OCCn1nc(c2c1CSC2)C)C(=O)NC(C(O)CC(C(=O)NC(CC(C)C)C(=O)NC(C)C)C)CC(C)C)C	PC-id_72646833	698.98	WGGDZURCWYEKOS-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165465
Clc1c(NC(=O)N2C(c3n(OC(=O)C(F)(F)F)nc(NC(=O)c4ccc(N5CCN(CC5)C)cc4)c3C2)(C)C)c(Cl)cc([N+](=O)[O-])c1	SCHEMBL3485360,PC-id_68661010	699.465	LGJXDSFICRIOCC-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165466
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2c2ccc(cc2)Br)sc2c(CCC2)c1C(=O)OCC	PC-id_4441489,MCULE-2439534282,CoCoCo_2661153,ZINC22_150390057,EMOLS-id_22699860	699.595	ARVYVXZOPZODMY-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165467
SC[C@@H](C(=O)NCC(=O)Cc1ccn2c1[C@@H](CC2)C(=O)CNC(=O)[C@@H](NC(=O)CC[C@@H](C(=O)O)N)CS)NC(=O)CC[C@@H](C(=O)O)N	PC-id_101933334	699.796	UNXVHNQYQAVNRX-HVTWWXFQSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165468
CCCCN(CCCC)C(=O)N(n1c2c(CNC2(C)C)c(n1)NC(=O)C1CC1)n1c2c(CNC2(C)C)c(n1)NC(=O)c1ccc(cc1)C(C)(C)C	PC-id_91272472	700.916	QDPINVHQXLDJCS-UHFFFAOYSA-N	00100010100000110001000010000000000000000000000000000000	25-01-165469
C[Si](C(C)(C)C)(OCC(NC(=O)C1c2ccc(C(=O)c3ccccc3)n2CC1)(CO[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C)C	MCULE-6510129738	701.171	DLBCAXNMHSRYMT-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165470
CC(c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(c(c1)F)F)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740025	701.587	DGVHXEAJFGVTSE-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165471
C[C@@H](c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(c(c1)F)F)NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740024	701.587	DGVHXEAJFGVTSE-INIZCTEOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165472
CC1Cc2c(C1(F)F)n(nc2C(F)(F)F)C(=O)NC(Cc1cc(cc(c1)F)F)c1c(ccc(n1)C#CC(C)(C)O)c1cc(c(cc1)N)C(=N)N	PC-id_135266967	701.637	PFSQADILHLPYMI-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165473
Fc1cc(cc(c1)F)CC(c1nc(C#CC(O)(C)C)ccc1c1ccc(c(c1)C(=N)N)N)NC(=O)n1nc(c2c1C(F)(F)[C@@H](C2)C)C(F)(F)F	SCHEMBL20430038	701.637	PFSQADILHLPYMI-DIERRCTGSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165474
S(=O)(=O)(O)c1c(n2ncc(c2N/N=C/C(=Nn3nc(nc23)CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C(=O)OC)cc(S(=O)(=O)O)cc1	PC-id_21032577	701.688	GALLINBGMNBAQR-SWKFRHMKSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165475
S(=O)(=O)(O)c1c(n2ncc(c2NN=C2C(=Nn3nc(nc23)CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C(=O)OC)cc(S(=O)(=O)O)cc1	PC-id_73735484	701.688	GALLINBGMNBAQR-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165476
O=C(Cn1nc(c2c1C(C)(F)CC2C)C(F)F)N[C@H](c1ncccc1c1ccc(cc1)S(=O)(=O)N1CCCCC1)Cc1cc(F)cc(c1)F	SCHEMBL14555708,PC-id_71204547	701.749	ZMWOAEUKDQVDGM-OVRNCAGSSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165477
S(=O)(=O)(N1CCCCC1)c1ccc(c2c(nccc2)C(NC(=O)Cn2nc(c3C(CC(F)(c23)C)C)C(F)F)Cc2cc(F)cc(F)c2)cc1	PC-id_78035806	701.749	ZMWOAEUKDQVDGM-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165478
CC1CN2C(=C(C=N2)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)NC(=O)NC6=C(C=CC(=C6C)F)C7=CC(=NC=C7)OC)O1	PC-id_165370087	702.242	YGRAIURJEDYMEE-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165479
CC(C)(C)OC(=O)N1Cc2c(C1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)NC	PC-id_90162485	702.646	NCXBZUUVIVRRBY-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165480
CC(C)(C)OC(=O)N1CCc2c1c(nn2CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)NC)C(F)(F)F	PC-id_90162462	702.646	DRZMWDLJZYKHBQ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165481
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CCN2C(=O)OC(C)(C)C)C(F)(F)F	SCHEMBL15724078	702.646	DRZMWDLJZYKHBQ-VWLOTQADSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165482
CNC(=O)c1cc(ccc1F)c1cccnc1[C@H](Cc1cc(F)cc(c1)F)NC(=O)Cn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(F)(F)F	SCHEMBL15724101	702.646	NCXBZUUVIVRRBY-SANMLTNESA-N	00000010100000111001100010000000000000000000000000000000	25-01-165483
c1csc(c1)C(=O)C(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O	PC-id_135424145	703.475	GSWIGVOSCWGBTR-UHFFFAOYSA-N	00000011100100110001000010000000000000000000000000000000	25-01-165484
c1csc(c1)C(=O)C(c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O)c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O	PC-id_135441691	703.475	GSWIGVOSCWGBTR-DKKRNIPZSA-N	00000011100100110001000010000000000000000000000000000000	25-01-165485
n1c2N=C(C(C(=O)c3cccs3)C3=Nc4n(C3=O)c(NC(=O)Nc3ccc(Cl)cc3)nn4)C(=O)n2c(NC(=O)Nc2ccc(Cl)cc2)n1	LI_194276,CoCoCo_5636931,MCULE-1104207135,SPECS-id_AT-225/NB54708,PC-id_343436,ZINC22_150409675,NSC382889	703.475	LYMQZGYAXPOSJA-UHFFFAOYSA-N	00000011100100110001000010000000000000000000000000000000	25-01-165486
O=C(Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F)N[C@H](c1nc(C#CC(O)(C)C)ccc1c1ccc(=N)n(c1)C(=O)N)Cc1cc(F)cc(c1)F	PC-id_144694034	703.609	IGIDKTRVBCIWJG-DEOSSOPVSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165487
OCc1cc(ccc1O)C(CNCCCCCCOCCOCc1cccc(c1)N(c1cccc(c1)NCc1cn2c(n1)SCC2)C(=O)C)O	PC-id_69177963,SCHEMBL4760030	703.891	NWCJFYQINHCYCH-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165488
OCc1cc(ccc1O)[C@@H](CNCCCCCCOCCOCc1cccc(c1)N(c1cccc(c1)NCc1cn2c(n1)SCC2)C(=O)C)O	SCHEMBL926210,PC-id_66845631	703.891	NWCJFYQINHCYCH-DIPNUNPCSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165489
S1(=O)(=O)Cc2c(c(n(c2C(=CS(=O)(=O)C(C)(C)C)S(=O)(=O)C(C)(C)C)C)C(=CS(=O)(=O)C(C)(C)C)S(=O)(=O)C(C)(C)C)C1	PC-id_10395000	703.972	HPBZHAFAJYRBLU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165490
O=C(Cn1nc(c2c1CN(C2)C(=O)OC(C)(C)C)C(F)(F)F)N[C@H](C1N(C)C=CC=C1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL17067034,PC-id_118357788	704.662	CERLZMFEIHPIJU-QUWDGAPNSA-N	00000010100011110001100010000000000000000000000000000000	25-01-165491
C1Cn2c(ccc2C(=O)c2ccccc2)C1C(=O)OCC1C(C(C(C(O1)OC1C(CC(C(C1O)OC1C(CC(C(O1)CN)O)N)N)N)O)N)O	PC-id_90388429	704.768	FQEQSFHMSILXOF-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-165492
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](COC(=O)C3CCn4c3ccc4C(=O)c3ccccc3)[C@H]([C@@H]([C@H]2O)N)O)N)[C@@H](C[C@@H]1O)N	SCHEMBL16010320	704.768	FQEQSFHMSILXOF-HEZPTPEDSA-N	00000010100010110000000010000000000000000000000000000000	25-01-165493
CC(C)(C)C(CN1Cc2c(S1(=O)=O)ccs2)NC(=O)NC(C(=O)N1CCCC1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C(C)(C)C	PC-id_88270249	704.9	AVQNKFOGPNEJMT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165494
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CCC#C	SCHEMBL8251016	704.9	AVQNKFOGPNEJMT-OPWYVYIASA-N	00000010100000000001000010000000000000000000000000000000	25-01-165495
CCCCC(C(=O)C(=O)NCC)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Sc2c(C1)scc2	PC-id_70863934,SCHEMBL13249151	704.986	CVOMCNBFYAWUNO-YEMQHKNJSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165496
S1N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CCCC)C(=O)C(=O)NCC)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_77932864	704.986	CVOMCNBFYAWUNO-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165497
CCC(C(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)N1C(=O)c2n(C1=O)ccc2)Cl)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	SCHEMBL11822785	705.283	FVTAXMHCWSBICX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165498
Ic1ncn2[C@@H]([C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)c12)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11125403	714.707	NVZDZDQVAZYHNO-GJJQDPDKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165573
CCCCCC(=O)C(c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O)(c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O)C	PC-id_135441690	705.511	WDJCSEPBWIAZLK-YFLNSSJQSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165499
CCCCCC(=O)C(C)(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O	PC-id_135432024	705.511	WDJCSEPBWIAZLK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165500
CCCCCC(=O)C(C)(C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O	NSC382888,ZINC22_150409669,CoCoCo_5636930,LI_194275,PC-id_343435	705.511	TZTYANZUOKSPJD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165501
S(=O)(=O)(CCCCCCCCCCCC)CCCc1n2N=C(C(C)(C)C)/C(=N/c3c(cc(N(CCNS(=O)(=O)C)CC)cc3)C)/c2nn1	PC-id_23558544	706.017	WYFSTBCAQQODNL-FTTXPQLCSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165502
O=CN(c1cc(F)cc(c1COC(=O)C)c1cn(C)c(=O)c(c1)N=C(/C=C(/CN(C1COC1)C)NC)N)CCc1c(C)sc2c1CC(C2)(C)C	PC-id_144276767	706.87	XLIZEOUDDWDDRL-ZMFRSBBQSA-N	00001010100000111000100010000000000000000000000000000000	25-01-165503
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2)CCC	SCHEMBL8239875,PC-id_70315178	706.916	OMCUQDCMWPVKOM-ROHDMLMOSA-N	00000010100010000001000010000000000000000000000000000000	25-01-165504
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CC1)C2(C)C	SCHEMBL10228860,PC-id_58799907	706.916	UXDCIRVXVLLHNP-DDGPVHGFSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165505
S1(=O)(=O)N(CC2(NC(=O)NC(C(C)(C)C)C(=O)N3C(CCC3)C(=O)NC(CCC)C(=O)C(=O)NCC=C)CCCCC2)Cc2sccc12	PC-id_77819602	706.916	OMCUQDCMWPVKOM-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-165506
S1(=O)(=O)N(C[C@@H](NC(=O)N[C@H](C(=O)N2C([C@H]3C([C@H]3C2)(C)C)C(=O)NC(CC2CC2)C(=O)C(=O)N)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_11686275	706.916	UXDCIRVXVLLHNP-FLLWCMEXSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165507
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CC2CC2)C(=O)C(=O)N)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_73061778	706.916	UXDCIRVXVLLHNP-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165508
CC(C)(C(=O)O)O/N=C(C1=CSC(=N1)N)/C(=O)C[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C5N4CCN5CC6=CC=C(C=C6)C(=N)N)C(=O)[O-]	PC-id_160274490	707.194	PPUBLUZUIVPANC-ATSBJEAJSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165509
P(=O)(OCC[N+](C)(C)C)(OCCCCCCCCCCCCCCCCCCc1oc2=CC(N=c2c1)Cc1n(c2c(occ2)c1)B(F)F)[O-]	PC-id_49838372	707.636	UTODCTWZLBVETN-UHFFFAOYSA-N	00000010100000000000000110000000000000000000000000000000	25-01-165510
COc1ccc(cc1CN1Cc2c(C1)nc(n2CC)C(=O)N)CCN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1c1ccccc1)C	PC-id_145281898	707.861	QBRULBUOIIQAPV-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165511
O=C(N(C1(Cn2cc/c(=N/C)/cc2)c2n(N=C1C)nc(n2)CCNc1c(OCCCCCCCC)ccc(c1)C)c1c(cc(N(CC)C)cc1)C)C	PC-id_20693950	707.95	NURAKVBLUOYYIY-UHFFFAOYSA-N	00000011100000111001000010000000000000000000000000000000	25-01-165512
CCCCCCCCCCCCOCC1(COCCCCCCCCCCCC)Cc2c(C1)c([se]c2Br)Br	PC-id_102530703	725.58	RFGGCEPGVZYPPU-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165646
CC(C)(C#Cc1nc(c(cc1)c1cc(c(cc1)Cl)C(=O)N)C(Cc1cc(cc(c1)F)F)NC(=O)n1c2c(CCC2(F)F)c(n1)C(F)(F)F)O	SCHEMBL20430381,PC-id_135267295	708.025	MIVRVHGCRZWHHH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165513
CCCCCCCCCCCCCCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)[Si](C)(C)C	PC-id_140817168	708.061	NXAXJTSCEXPTGB-MGBGTMOVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165514
FB(n1c2cc(sc2cc1/C(=C
/C=c2c(=N1)cc(s2)Oc1ccc(cc1)c1ccccc1)/C(F)(F)F)Oc1ccc(cc1)c1ccccc1)F	PC-id_139258904	708.526	BKPQZOLXHASNRN-GGFUHWEBSA-N	00000010100000110000100110000000000000000000000000000000	25-01-165515
C=C(c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	PC-id_145296796	708.588	HGFUUCUKNHBKAX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165516
P(=O)(OCC[N+](C)(C)C)(OCCCCCCCCCCCCCCCCCCc1oc2=CC(N=c2c1)Cc1n(c2c(occ2)c1)B(F)F)O	PC-id_49838373	708.644	UTODCTWZLBVETN-UHFFFAOYSA-O	00000010100000000000000110000000000000000000000000000000	25-01-165517
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(CN3CCN(CC3)c3ccc(OC[C@@]4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc1	PC-id_5278885,SCHEMBL2091599	708.727	OWVQFQNYWUTEKO-PGUFJCEWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165518
FC(F)(F)Oc1ccc(OC2CCN(CC2)c2ccc(CN3CCN(CC3)c3ccc(OCC4(Oc5n(C4)cc(n5)[N+](=O)[O-])C)cc3)cc2)cc1	SCHEMBL2091602,PC-id_67274787	708.727	OWVQFQNYWUTEKO-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165519
O=C1[C@@H](NC(=O)/C(=NOC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccc2n1CCN2Cc1ccc(cc1)C(=N)N)C(=O)[O-]	SCHEMBL18939034	708.768	AAVXZYSRWGYORV-QJLBIOABSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165520
CC1(c2c(CN1C(=O)NC(CN(C)C)c1ccccc1)c(nn2C(=O)OCc1ccccc1)NC1CCCN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])C	SCHEMBL20741141,PC-id_137497883	708.806	NUVLNCLWXDVRCT-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165521
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n(nc2NC1CCCN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)OCc1ccccc1)C	PC-id_121438526,SCHEMBL17872122	708.806	NUVLNCLWXDVRCT-CUPMVOCTSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165522
CCCCOc1ccc(cc1)OC(C(=O)NCC(c1nn2c(n1)/C(=Nc1ccc(cc1C)N(CCNS(=O)(=O)C)CC)/C(=N2)C(C)(C)C)C)C	SCHEMBL10233283,PC-id_57638485	708.914	NBDILPZJZQQNNR-RZLPTWENSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165523
CCCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL8252851,PC-id_70320433	708.932	DMFYAWFKTABZCT-OPWYVYIASA-N	00000010100000000001000010000000000000000000000000000000	25-01-165524
CCCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_58799741,SCHEMBL10228904	708.932	NUGAPOOTABQTEJ-DDGPVHGFSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165525
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1CC(CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C)CCC	PC-id_143315236	708.932	YPOMIALJEHBMFM-HMEHSWMMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165526
S1(=O)(=O)N(CC(NC(=O)NC(C(C)(C)C)C(=O)N2C(CCC2)C(=O)NC(CCCC)C(=O)C(=O)NCC=C)C(C)(C)C)Cc2sccc12	PC-id_77821767	708.932	DMFYAWFKTABZCT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165527
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CCCC)C(=O)C(=O)N)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_72427765	708.932	NUGAPOOTABQTEJ-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165528
CC(C)(C#Cc1nc(c(cc1)c1cc(c(c(c1)F)F)C(=O)N)C(Cc1cc(cc(c1)F)F)NC(=O)n1c2c(CCC2(F)F)c(n1)C(F)(F)F)O	SCHEMBL20430248,PC-id_135267169	709.561	IOZDHLTZNVPBPZ-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165529
CCOC(=O)n1c2c(CN(C2(C)C)C(=O)OC(C)(C)C)c(n1)NC(=O)c1c(cc(cc1)N1CCN(CC1)C)N(C(C)COC)C(=O)C(F)(F)F	PC-id_87534235	709.756	LIMAGJGEQZWIBX-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165530
COC[C@@H](N(C(=O)C(F)(F)F)c1cc(ccc1C(=O)Nc1nn(c2c1CN(C2(C)C)C(=O)OC(C)(C)C)C(=O)OCC)N1CCN(CC1)C)C	SCHEMBL3485255	709.756	LIMAGJGEQZWIBX-FQEVSTJZSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165531
O=C1[C@@H](NC(=O)/C(=NOC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccc2n1CCN2Cc1ccc(cc1)C(=N)N)C(=O)O	SCHEMBL18967515	709.776	AAVXZYSRWGYORV-QJLBIOABSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165532
S(=O)(Oc1c(OCCOc2ccccc2)ccc(NC(=O)C)c1)NCc1n2N=C(C(C)(C)C)/C(=N/c3ccc(nc3)N(CC#N)CC#N)/c2nn1	PC-id_20725970	709.777	MJGLWGYLNNUDHH-JLQWMSMUSA-N	00000011100000111001000010000000000000000000000000000000	25-01-165533
CO/N=C(C1=C(SC(=N1)N)Cl)/C(=O)C[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C5N4CCN5CC6=CC=C(C=C6)C(=NC7CC7)N)C(=O)O	PC-id_161148030	710.173	UNNIBHWABQIKGG-KCBSMHQJSA-O	00101010100011110001001010000000000000000000000000000000	25-01-165534
CC(c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740188	710.604	CDUYPVOLBAHMKX-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165535
C[C@@H](c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])NC(=O)c1c2N(CCn2nc1C(F)(F)F)Cc1cccc(c1)C(F)(F)F	SCHEMBL18740185	710.604	CDUYPVOLBAHMKX-KRWDZBQOSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165536
S(=O)(=O)(NCCN(c1cc(c(/N=C/2\n3nc(nc3C(=C2[N+]#[C-])C(=O)Oc2cc(NC(=O)C(Oc3ccc(cc3)C)C)ccc2)C)cc1)C)CC)C	PC-id_59091107	710.802	IPEWCPUMLMAKMD-HSRGEJEPSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165537
CCCCC(C(=O)C(=O)N)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(C)C	PC-id_143360998	710.948	CAWSMLBJBLUKAZ-HZKXVJSJSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165538
CCCCCCCCN(c1ccc(s1)/C=c/1c2nnc(n2nc1C(C)(C)C)CNS(=O)(=O)c1cc(C)ccc1OC)CCCCCCCC	SCHEMBL13987988,PC-id_58636244	711.036	MJGBGLATPJUXOZ-QVTSOHHYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-165539
s1c(N(CCCCCCCC)CCCCCCCC)ccc1C=c1c(nn2c1nnc2CNS(=O)(=O)c1c(OC)ccc(c1)C)C(C)(C)C	PC-id_72376721	711.036	MJGBGLATPJUXOZ-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-165540
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1)C(=N)NC1CC1	SCHEMBL18939400	711.214	BHEYTUCXUCJWHT-AZYKQBKXSA-N	00101010100011110001001010000000000000000000000000000000	25-01-165541
Cc1ccc(cc1)C(=O)C(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O	PC-id_135500207	711.474	ZIPOHEOBAYHZLH-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165542
Cc1ccc(cc1)C(=O)C(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_135446524	711.474	FEPLAAUZRZWIIT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165543
Cc1ccc(cc1)C(=O)C(c1c(n2c(n1)N=N/C/2=NC(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1/C(=N/C(=O)Nc1ccc(cc1)Cl)/N=N2)O	PC-id_135518487	711.474	FEPLAAUZRZWIIT-IRKUSUMASA-N	00000011100000110001000010000000000000000000000000000000	25-01-165544
Cc1ccc(cc1)C(=O)C(c1c(n2c(n1)N=N/C/2=N/C(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_136632939	711.474	FEPLAAUZRZWIIT-KLVIANHPSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165545
Cc1ccc(cc1)C(=O)C(c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O)c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O	PC-id_135441700	711.474	ZIPOHEOBAYHZLH-IRKUSUMASA-N	00000011100000110001000010000000000000000000000000000000	25-01-165546
Cc1ccc(cc1)C(=O)[C@@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_136873332	711.474	FEPLAAUZRZWIIT-HXUWFJFHSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165547
Cc1ccc(cc1)C(=O)[C@H](c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1nc(c2n1C(=NC(=O)Nc1ccc(cc1)Cl)N=N2)O	PC-id_136873333	711.474	FEPLAAUZRZWIIT-FQEVSTJZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165548
Cc1ccc(C(=O)C(C2=Nc3nnc(NC(=O)Nc4ccc(Cl)cc4)n3C2=O)C2=Nc3nnc(NC(=O)Nc4ccc(Cl)cc4)n3C2=O)cc1	NSC382918,ZINC22_150409791,CoCoCo_5636966,PC-id_343464,LI_194296	711.474	MZRIBYDBLPWJON-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165549
Cc1ccc(C(=O)[C@@H](C2=Nc3nnc(NC(=O)Nc4ccc(Cl)cc4)n3C2=O)C2=NC(=O)c3nnc(NC(=O)Nc4ccc(Cl)cc4)n23)cc1	ZINC22_150635970	711.474	YXKAUUIIPMRFNF-HXUWFJFHSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165550
Cc1ccc(C(=O)[C@H](C2=Nc3nnc(NC(=O)Nc4ccc(Cl)cc4)n3C2=O)C2=NC(=O)c3nnc(NC(=O)Nc4ccc(Cl)cc4)n23)cc1	ZINC22_150635976	711.474	YXKAUUIIPMRFNF-FQEVSTJZSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165551
N1=C(n2c(C1=O)nnc2NC(=O)Nc1ccc(Cl)cc1)C(C1=Nc2n(C1=O)c(NC(=O)Nc1ccc(Cl)cc1)nn2)C(=O)c1ccc(C)cc1	PC-id_4383674,MCULE-3477988008,SPECS-id_AT-225/NB55262	711.474	YXKAUUIIPMRFNF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165552
CCSc1c(SN2Sc3c(S2)n(c(=S)n3CC(C(F)(F)C)(F)F)C(C)C)n(c(=S)n1CC(C(F)(F)F)(F)F)C(C)C	PC-id_144471767	711.84	GJGJEDQINAPSJP-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165553
COc1nccc(N(C)c2ccc(C)c(c3cn(Cc4nn5c(c4C(=O)N(C)Cc4cc(C)c(OCc6ccc(C)cc6)c(C)c4)CCC5)nn3)c2)n1	ZINC22_2325846919	711.855	UHXPNLRTRZSZNL-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165554
CCCCCCC(C(=O)NCC(c1nc2n(n1)N=C(/C/2=N/c1ccc(cc1C)N(CC)CC)C)C)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	SCHEMBL15295960	712.022	KFRNTOPIMTWBIM-JYRXYQGCSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165555
CCCCCCC(C(=O)NCC(C)c1nn2c(n1)C(=Nc1c(cc(cc1)N(CC)CC)C)C(=N2)C)Oc1c(cc(cc1)C(C)(C)CC)C(C)(C)CC	PC-id_89833105	712.022	KFRNTOPIMTWBIM-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165556
CCCCCCCCCCCCCCCC(=O)OC[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2NC(=O)C1(CCC1)S(C)(C)C	SCHEMBL19537428	712.04	WOSZRTHPDJJTJR-MGBGTMOVSA-N	00001010100000110001000010000000000000000000000000000000	25-01-165557
Clc1cc(CN2c3n(C(C2=O)Cc2ccc(cc2)c2cncnc2)c(S(=O)(=O)N2C(CCC2)C(=O)NCC(C)C(=O)O)cn3)cc(Cl)c1	PC-id_77710664	712.603	QBVXGVQXRXVMSO-UHFFFAOYSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165558
Clc1cc(CN2c3n([C@@H](C2=O)Cc2ccc(cc2)c2cncnc2)c(S(=O)(=O)N2[C@@H](CCC2)C(=O)NCC(C)C(=O)O)cn3)cc(Cl)c1	SCHEMBL6404246,PC-id_69768092	712.603	QBVXGVQXRXVMSO-NKQHSMGESA-N	00000010100000110001100010000000000000000000000000000000	25-01-165559
S(=O)(=O)(O)c1c(C(=O)Nc2ccc(OCCCc3nc4n(N=C(C(C)(C)C)C4=NNc4n(nc(c4[N+]#[C-])C)CC(F)(F)F)n3)cc2)cccc1	PC-id_21032558	712.702	IASJEELVCACHPG-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165560
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_21026762	712.714	OEHXGVRVWRWTTO-QFMPWRQOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165561
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_58619892	712.714	OEHXGVRVWRWTTO-QLTSDVKISA-N	00000011100000110001100010000000000000000000000000000000	25-01-165562
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3nc(nc23)CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_73734477	712.714	OEHXGVRVWRWTTO-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165563
C1Cc2c(n(c(c2C1)O)CCCN([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O	PC-id_91182890	713.025	CPMCHNNOILBTMG-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165564
CCCCCCCCN(CCCCCCCC)c1ccc(s1)Cc1c2nnc(=CNS(c3c(ccc(c3)C)OC)(O)O)n2nc1C(C)(C)C	PC-id_91599871	713.051	JJNBKCJPSRKHNF-UHFFFAOYSA-N	00000000100100110001000010000000000000000000000000000000	25-01-165565
CCCCC(CC)C1=NN=C2N1N=C(C2=NC3=C(C(=C4N3NC(=N4)C(C)(C)C)C(=O)OC5C(CC(CC5C(C)(C)C)C)C(C)(C)C)C#N)C(C)(C)C	PC-id_160676223	713.51	NZVXFQHAPMIOBB-UHFFFAOYSA-N	00000011100010000001000110000000000000000000000000000000	25-01-165566
C[C@H]1C(=C(C(=O)[O-])N(C(=O)C2=C([C@@H]([C@H]3N2C(=O)[C@@]3([C@H](O)C)C)C)SC2C[n+]3n(ccc3)C2)[C@H]1[C@H](C(=O)[O-])[C@H](O)C)SC1Cn2[n+](cnc2)C1	MCULE-1249624930	713.824	YCRGSIZNFXMPOR-UJELJBJHSA-N	00001011100000000001001010000000000000000000000000000000	25-01-165567
CCCCC(c1n[nH]c2n1nc(c2/N=C
/C(=C(c2n1nc(n2)C(C)(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C#N)C(C)(C)C)CC	SCHEMBL17590190	713.998	BTLBALIUFMVLFY-WQPPNGNMSA-N	00000011100010000001000110000000000000000000000000000000	25-01-165568
CCCCC(CC)c1nnc2n1N=C(/C/2=N/c1c(c(c2n1[nH]c(n2)C(C)(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C#N)C(C)(C)C	PC-id_136937260	713.998	NZVXFQHAPMIOBB-XGVSOQBDSA-N	00000011100010000001000110000000000000000000000000000000	25-01-165569
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(C4CCN(CC4)C(=O)OC(C)(C)C)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C	PC-id_153565294	714.418	UUVVDYLXYNHNES-JGMXHAOQSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165570
Brc1sc(c2c1C(=O)C(C2=O)(Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)Br	PC-id_101550434	714.633	PXCPXWOBBGTKLX-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165571
Ic1ncn2C(C(OCc3ccccc3)C(OCc3ccccc3)c12)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85407957	714.707	NVZDZDQVAZYHNO-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165572
Cc1nc2n(c1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)/C=C/c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)c1c(C)nc3n1ccs3)C=CC2	SCHEMBL846025,PC-id_58768921	714.835	KNCQQYWHNUOSAS-SIAQCHNGSA-N	00000011100000110001000110000000000000000000000000000000	25-01-165574
s1c2n(c(C(=O)N3C(CCC3)C(=O)Nc3ccc(cc3)C=Cc3ccc(NC(=O)C4N(CCC4)C(=O)c4n5c(nc4C)CC=C5)cc3)c(n2)C)cc1	PC-id_72418089	714.835	KNCQQYWHNUOSAS-UHFFFAOYSA-N	00000011100000110001000110000000000000000000000000000000	25-01-165575
c1cc(ccc1C(=O)C(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)F	PC-id_135511800	715.438	JYBJOWMCPASFFV-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165576
c1cc(ccc1C(=O)C(c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O)c1c(n2/C(=N/C(=O)Nc3ccc(cc3)Cl)/N=Nc2n1)O)F	PC-id_135441696	715.438	JYBJOWMCPASFFV-HEAOMOGJSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165577
n1c2N=C(C(C(=O)c3ccc(F)cc3)C3=Nc4n(C3=O)c(NC(=O)Nc3ccc(Cl)cc3)nn4)C(=O)n2c(NC(=O)Nc2ccc(Cl)cc2)n1	CoCoCo_5636953,PC-id_343454,ZINC22_150409762,NSC382908,LI_194288,MCULE-5658404440,SPECS-id_AT-225/NB54723	715.438	VWGFTWVZKYBTFO-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165578
FCCCn1c(=S)n(c2c1SN(S2)Sc1c(SCC)n(c(=S)n1CCC(F)(F)F)CCC(F)(F)F)CCC(F)(F)F	PC-id_144471752	715.804	MQAQLWGTEPWZKT-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165579
CCCCC(c1nnc2n1[nH]c(c2NC1C(=C(c2n1nc(n2)C(C)(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C#N)C(C)(C)C)CC	PC-id_118361029	716.014	MEIHVGDPVLIEBD-UHFFFAOYSA-N	00000011100010000001000110000000000000000000000000000000	25-01-165580
CCCCC(c1n[nH]c2n1nc(c2NC1C(=C(c2n1nc(n2)C(C)(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C#N)C(C)(C)C)CC	SCHEMBL17070984	716.014	YBRUAIOBJRYNML-UHFFFAOYSA-N	00000011100010000001000110000000000000000000000000000000	25-01-165581
CC1=C(C=CC(=C1NC(=O)NS(=NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(=O)C5=C6N(CC(O6)(C)C)N=C5)C7=CC(=NC=C7)OC)F	PC-id_165369787	716.258	FDMFPRCAUXJTNH-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165582
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1c1cn(Cc2nn3c(c2C(=O)N2CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC2)CCC3)nn1	ZINC22_2325835978	716.82	ZGKFNCMMGIUXOD-IANOAQMISA-N	00000010100010110001100010000000000000000000000000000000	25-01-165583
CCCCOc1ccc(cc1)OC(C(=O)NCC(c1nn2c(n1)/C(=Nc1ccc(cc1NC(=O)C)N(CCCC(=O)O)CC)/C(=N2)C(C)(C)C)C)C	SCHEMBL10233314,PC-id_57638467	716.869	SLWLRYRUXRVTLO-AZOIZXLMSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165584
CCCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C1CCCCC1)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(C1(O)O)ccs2	PC-id_70954670,SCHEMBL13632851	716.931	JRUZAPJIHKFXND-HPBOOVPDSA-N	00100010100010000000010010000000000000000000000000000000	25-01-165585
s1c2CN(CC(NC(=O)NC(C(=O)N3C(C4C(C4C3)(C)C)C(=O)NC(CCCC)C(=O)C(=O)N)C3CCCCC3)C(C)(C)C)C(O)(O)c2cc1	PC-id_77968779	716.931	JRUZAPJIHKFXND-UHFFFAOYSA-N	00100010100010000000010010000000000000000000000000000000	25-01-165586
CSCC[C@@H](C(=O)N[C@H]([C@H](C[C@H](C(=O)N[C@H](C(=O)NC(C)C)CCC)C)O)CC(C)C)NC(=O)OCCn1nc(c2c1CS(=O)(=O)C2)C	SCHEMBL13134784,PC-id_70842172	716.952	SACXTENMEURQBW-HETUCMFWSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165587
S1(=O)(=O)Cc2n(nc(c2C1)C)CCOC(=O)NC(C(=O)NC(C(O)CC(C(=O)NC(CCC)C(=O)NC(C)C)C)CC(C)C)CCSC	PC-id_77940917	716.952	SACXTENMEURQBW-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165588
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1=O)ccs2)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CC1)C2(C)C)C1CCCCC1	PC-id_117742461,SCHEMBL16297933	716.954	DBBVWYSKXFQQOP-BDYQNUOXSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165589
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1scc(c1)C(=N)NC1CC1	SCHEMBL18939167	717.242	YSYDOWARIWAMNF-JBFSZYMMSA-N	00101010100111000001001010000000000000000000000000000000	25-01-165590
C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C3=C2CCC3)CC(C4CCN(CC4)C5=CC=CC(=C5C)C)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C	PC-id_153565196	718.428	PABKJMUSLBTMBQ-HYKUANOISA-N	00000010100010110001100010000000000000000000000000000000	25-01-165591
CCOc1nn2c(c1Nc1cc(c(cc1)N(C)C)S(=O)(=O)O)NC(N2)CCNS(=O)(=O)c1c(cc(c(c1)NC(=O)C)S(=O)(=O)O)OC	PC-id_136657413	718.779	WMMQKJNILZAHSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165592
CC1(CCn2c1ccc2C(=O)c1ccccc1)C(=O)OCC1C(C(C(C(O1)OC1C(CC(C(C1O)OC1C(CC(C(O1)CN)O)N)N)N)O)N)O	PC-id_90394233	718.794	BCASOTMHQGJGGK-UHFFFAOYSA-N	00000010100010110000000010000000000000000000000000000000	25-01-165593
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](COC(=O)C3(C)CCn4c3ccc4C(=O)c3ccccc3)[C@H]([C@@H]([C@H]2O)N)O)N)[C@@H](C[C@@H]1O)N	SCHEMBL16017864	718.794	BCASOTMHQGJGGK-XWGPZTGKSA-N	00000010100010110000000010000000000000000000000000000000	25-01-165594
O=C(NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CC1)C2(C)C	SCHEMBL10229063,PC-id_58799531	718.927	IEKGVLYNWKLETH-APMYCHNISA-N	00100010100010000001010010000000000000000000000000000000	25-01-165595
S1(=O)(=O)N(CC2(NC(=O)NC(C(=O)N3C(C4C(C4C3)(C)C)C(=O)NC(CC3CC3)C(=O)C(=O)N)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_73015166	718.927	IEKGVLYNWKLETH-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165596
S1(=O)(=O)N(CC2(NC(=O)N[C@H](C(=O)N3C([C@H]4C([C@H]4C3)(C)C)C(=O)NC(CC3CC3)C(=O)C(=O)N)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_11571246	718.927	IEKGVLYNWKLETH-YSCKNWKXSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165597
CCCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(CC2[C@@H]1C2(C)C)C(=O)[C@H](C1CCCCC1)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1=O)ccs2	SCHEMBL16298102,PC-id_117742625	718.97	ZPPCXRJAJVSSJX-KXUFRKPXSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165598
ClC1(Cl)c2n(nc(n2)CCOC2NC(=O)N(C(C(=O)C(C)(C)C)C(=O)Nc3cc(ccc3Cl)C)C2=O)N=C1Cc1ccc(cc1)C(=O)O	PC-id_20717535	718.972	IPEDFJKTYOEFFP-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165599
C[C@H]1CC(c2c1c(nn2CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(ccc(n1)C#CC(C)(C)O)c1cc(c(cc1)F)C(=O)N)C(F)(F)F)(F)F	PC-id_164167943	719.214	ZSTXWHXVLZYBKG-QLXKLKPCSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165600
S(=O)(Oc1cc(C(CC(C)(C)C)(C)C)ccc1C)Nc1cc(OCCCc2nc3n(n2)N=C(C3=Nc2ccc(N(CC#N)CC#N)cc2)C)ccc1	PC-id_20725938	719.898	XHEKOBBXNDPMLY-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165601
S(=O)(=O)(CCCCCCCCCCCC)CCCc1n2N=C(C(CC)(C)C)/C(=N/c3c(cc(N(CCNS(=O)(=O)C)CC)cc3)C)/c2nn1	PC-id_58607501	720.044	YWAAHIOZJFIQTM-GUPKEBGXSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165602
CC(C)[C@H]1CCN([C@@H]1C(=O)NC(CC2CC2)C(=O)C(=O)N)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)CN4CC5=C(S4(=O)=O)C=CS5	PC-id_148426840	720.334	LWRTWLVVRSFYAF-HLDWEWCTSA-N	00100010100010000001000010000000000000000000000000000000	25-01-165603
C/C=C(/CC(C(C1(OC)C(=O)c2c(C1=O)sc(c2)C)C(=O)N(c1ccc(cc1)CNC(=O)C)C)C=O)C=C/C(=C/Br)/Br	PC-id_142271703	720.469	JPCXEXKMIPBUBD-GJOJASSSSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165604
CCCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2	PC-id_58799752,SCHEMBL10229074	720.943	HPAWQGXRJITBKR-APMYCHNISA-N	00100010100010000001010010000000000000000000000000000000	25-01-165605
CC[C@H]1CCN([C@@H]1C(=O)NC(C(=O)C(=O)NC)CC1CC1)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2	PC-id_143361447	720.943	KNIODGRKTDXIIL-UQQAQMCTSA-N	00100010100010000001000010000000000000000000000000000000	25-01-165606
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1C(C=C)CCN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CCC	PC-id_143357312	720.943	KQFZPMJQVPMVNK-IQZRTQSVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165607
C[C@H]1CN([C@@H](C1)C(=O)NC(C(=O)C(=O)N)CC1CCC1)C(=O)[C@H](C1CCCCC1)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_143100586	720.943	BLFZSVBEJNEPLQ-XEKWNSQNSA-N	00001010100010000001000010000000000000000000000000000000	25-01-165608
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C	SCHEMBL10228874,PC-id_58799477	720.943	FPBOMCNSCKPYQJ-DHSRHOSZSA-N	00101010100000000001010010000000000000000000000000000000	25-01-165609
S1(=O)(=O)N(CC2(NC(=O)NC(C(=O)N3C(C4C(C4C3)(C)C)C(=O)NC(CCCC)C(=O)C(=O)N)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_73039789	720.943	HPAWQGXRJITBKR-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165610
S1(=O)(=O)N(CC2(NC(=O)N[C@H](C(=O)N3C([C@H]4C([C@H]4C3)(C)C)C(=O)NC(CCCC)C(=O)C(=O)N)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_11643374	720.943	HPAWQGXRJITBKR-YSCKNWKXSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165611
S1(=O)(=O)N(C[C@@H](NC(=O)N[C@H](C(=O)N2C([C@H]3C([C@H]3C2)(C)C)C(=O)NC(CC2CCC2)C(=O)C(=O)N)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_11693347	720.943	FPBOMCNSCKPYQJ-FTMWMTPFSA-N	00101010100000000001010010000000000000000000000000000000	25-01-165612
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CC2CCC2)C(=O)C(=O)N)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_73064146	720.943	FPBOMCNSCKPYQJ-UHFFFAOYSA-N	00101010100000000001010010000000000000000000000000000000	25-01-165613
CCCC(C(=O)C(=O)C)NC(=O)[C@@H]1C(=C)[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c([S+]1(=O)O)ccs2)C(C)C	PC-id_143354525	720.963	ZMQSNXQIHYWJKH-HNZLYRDHSA-P	00000010100010000001000010000000000000000000000000000000	25-01-165614
O=C(N(CCCCC)CC(=O)N(CCCCCC)CC(=O)N)CNC(C(c1n2N=C(C(C)(C)C)/C(=N/c3ccc(N(C)C)cc3)/c2nn1)(C)C)(C)C	PC-id_23558540	720.991	ZFHWAYNYYZHCCC-MMPYPBTGSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165615
CCCCCCCCS(=O)(=O)Nc1nnc2n1[nH]c(c2/C=c/1c2nnc(n2nc1C(C)(C)C)NS(=O)(=O)CCCCCCCC)C(C)(C)C	PC-id_117787072	720.992	HWGNYLXRLCGPIV-BZZOAKBMSA-N	00000000100000000001000110000000000000000000000000000000	25-01-165616
CCCCCCCCS(=O)(=O)Nc1n[nH]c2n1nc(c2/C=c/1c2nnc(n2nc1C(C)(C)C)NS(=O)(=O)CCCCCCCC)C(C)(C)C	SCHEMBL16355192	720.992	NSZYWYHALUUKLV-BZZOAKBMSA-N	00000000100000000001000110000000000000000000000000000000	25-01-165617
Cc1ccc(c2cn(Cc3nn4c(c3C(=O)N[C@@H]3CCCN(c5c(C)cc(Br)cc5C)C3=O)CCC4)nn2)cc1C(=O)Nc1ccccc1	ZINC22_2325845549	721.645	KMCIJGUZFICCPU-GDLZYMKVSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165618
Cc1ccc(c2cn(Cc3nn4c(c3C(=O)N[C@H]3CCCN(c5c(C)cc(Br)cc5C)C3=O)CCC4)nn2)cc1C(=O)Nc1ccccc1	ZINC22_2325845550	721.645	KMCIJGUZFICCPU-LJAQVGFWSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165619
O(c1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(CCCCCC)C(=O)NCC(c1nc2n(N=C(C2=Nc2ccc([N+]3(C(C3)C#N)CC)cc2)C)n1)C	PC-id_59912349	721.997	ZCFQBGCPRJCUPI-UHFFFAOYSA-O	00100011100000110001100010000000000000000000000000000000	25-01-165620
CCCCCCCCCCC(C(=O)Nc1ccc(cc1)CCCC1NNc2c(c(nn12)C)Cl)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O	PC-id_136037517	722.336	HRILOCYKBDIGSK-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165621
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCN(CC3)C(=O)C4=NN(C5=C4CCC5)CCC6CCN(CC6)C(=O)C7=CC(=CC=C7)Cl	PC-id_153565200	722.342	GCOGCTNHNSFHAV-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165622
CC(C)[C@H]1CCN([C@@H]1C(=O)NC(CC2CCC2)C(=O)C(=O)N)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN3CC4=C(S3(=O)=O)C=CS4)C(C)(C)C	PC-id_146801567	722.35	RXZVORWELGGZFI-XNYDJVOGSA-N	00001010100000000001000010000000000000000000000000000000	25-01-165623
CCCCC(C(=O)C(=O)NCC)NC(=O)[C@@H]1[C@@H]2[C@@H](C2C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL8252462,PC-id_70320299	722.959	CCDBZTUYDRZNLV-XVPACCNASA-N	00100010100000000001010010000000000000000000000000000000	25-01-165624
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C(C)C	PC-id_143353476	722.959	IHWXEEWPWOMCQC-ZXEYOOGDSA-N	00001010100000000001000010000000000000000000000000000000	25-01-165625
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C)C2)C(=O)NC(CCCC)C(=O)C(=O)NCC)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_77821703	722.959	CCDBZTUYDRZNLV-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165626
CCCCCCC(C(=O)NCC(C)c1nn2c(n1)c(=Nc1ccc(cc1)N(CC)CCC#N)c(=C)[nH]2)Oc1c(cc(cc1)C(C)(C)CC)C(C)(C)CC	PC-id_90806034	723.005	CHGLWCUPHLFSGL-UHFFFAOYSA-N	00000000100000110001000010000000000000000000000000000000	25-01-165627
C=[I]C(c1nn(c2c1C(=O)CC2)CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)(F)F	PC-id_163892106	723.077	QCKKBFOZFZHEEB-QFIPXVFZSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165628
CC(C(=O)NCCc1nn2c(n1)C(=Nc1c(cc(cc1)N(C)C)CS)C(=Nc1c(ccc(c1)Cl)Cl)N2)Oc1cc(c(cc1)OC)C(C)(C)C	PC-id_135722073	723.715	GFRGFXJGPRKBOF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165629
S(=O)(=O)(O)c1cc(C(=O)NCC(c2nc3n(n2)N=C(C(C)C)C3=NNc2snc(SCCS(=O)(=O)O)n2)C)cc(S(=O)(=O)O)c1	PC-id_59071072	723.803	DIIPDDFMSQBWNE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165630
CC(CC(=N)c1c2CCCc2c(s1)C(=O)NC1CCN(C1=O)CC(F)(F)F)(c1cc(c(c(c1)I)F)Cl)C(F)(F)F	PC-id_89216501,SCHEMBL13977222	723.872	QXQFRSKAKGMMAQ-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165631
CO/N=C(C1=C(SC(=N1)N)Cl)/C(=O)C[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C5N4CCN5CC6=CC=C(C=C6)C(=N)N7CCCC7)C(=O)O	PC-id_161148032	724.189	IJCODFICMLFVRP-KBTYTRKOSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165632
COc1nccc(N(C)c2ccc(C)c(c3cn(Cc4nn5c(c4C(=O)N[C@H](C)c4ccccc4Oc4ccc(Cl)c(Cl)c4)CCC5)nn3)c2)n1	ZINC22_2325847412	724.638	HNCIETSRQXLNEU-HSZRJFAPSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165633
COc1nccc(N(C)c2ccc(C)c(c3cn(Cc4nn5c(c4C(=O)N[C@@H](C)c4ccccc4Oc4ccc(Cl)c(Cl)c4)CCC5)nn3)c2)n1	ZINC22_2325847413	724.638	HNCIETSRQXLNEU-QHCPKHFHSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165634
S(=O)(=O)(O)c1c(n2nc(c([N+]#[C-])c2N/N=C/2C(=Nn3nc(nc23)CCCOc2ccc(NC(=O)C)cc2)C(C)(C)C)C)cc(S(=O)(=O)O)cc1	PC-id_21032579	724.767	IKTULCHUXDHMKH-JJNGWGCYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165635
S(=O)(=O)(O)c1c(n2nc(c([N+]#[C-])c2NN=C2C(=Nn3nc(nc23)CCCOc2ccc(NC(=O)C)cc2)C(C)(C)C)C)cc(S(=O)(=O)O)cc1	PC-id_73735486	724.767	IKTULCHUXDHMKH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165636
NCC(CC(OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)O)(CN)C)(OCCc1ccc(cc1)C(=O)c1ccc2n1CC[C@@H]2C(=O)O)C	PC-id_138700228,SCHEMBL21075902	724.842	RUEVPDWGFSVRAM-ZTDRSOHASA-N	00000010100000110000000010000000000000000000000000000000	25-01-165637
S(=O)(=O)(NCCN(c1cc(c(/N=C/C(=Nn3c2nnc3C(NCc2cc(S(=O)(=O)O)cc(SOOO)c2)C)C(C)(C)C)cc1)C)CC)C	PC-id_58611710	724.872	KIDNOJLTWGODLP-MKCFTUBBSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165638
P(=O)(OCC)(OCC)c1ncn2C(C(OCc3ccccc3)C(OCc3ccccc3)c12)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73156200	724.897	ALIZRXMBTIULAB-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165639
P(=O)(OCC)(OCC)c1ncn2[C@@H]([C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)c12)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11967025	724.897	ALIZRXMBTIULAB-QJUVWIGKSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165640
CCCCC(C(=O)C(=O)NC)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(C)C	PC-id_143100856	724.974	RNBNRNAIRHMQBS-ZXEYOOGDSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165641
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1)ccs2)C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C	PC-id_89043214	724.976	SHNXZPKYTGVSES-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165642
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1)ccs2)CCC#C	SCHEMBL13249106	724.976	SHNXZPKYTGVSES-KICSDITESA-N	00100010100010000001010010000000000000000000000000000000	25-01-165643
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1)C(=N)N1CCCC1	PC-id_140790793	725.241	JCJKBSXRXMXJDP-IITCQSJRSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165644
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1)C=NN1CCCC1	PC-id_141529868	725.241	PYMDAHUSVHQISM-VHXDSHKRSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165645
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1ccc(cc1)C(=N)N1CCCC1	PC-id_140790794	726.249	JCJKBSXRXMXJDP-IITCQSJRSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165647
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1ccc(cc1)C=NN1CCCC1	PC-id_141529869	726.249	PYMDAHUSVHQISM-VHXDSHKRSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165648
CCn1ncc2c1CN([C@@H]2C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC(=O)c1c(Cl)cncc1Cl)S(=O)(=O)c1cc(Cl)cc(c1)Cl	SCHEMBL7162744,PC-id_20583550	726.414	OUNXATBINUYTBW-OZXSUGGESA-N	00000010100000111001000010000000000000000000000000000000	25-01-165649
Clc1cc(S(=O)(=O)N2C(c3c(n(nc3)CC)C2)C(=O)NC(Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)O)cc(Cl)c1	PC-id_18541308	726.414	OUNXATBINUYTBW-UHFFFAOYSA-N	00000010100000111001000010000000000000000000000000000000	25-01-165650
CCCCCCCCCCCCC(S(=O)(=O)c1ccccc1)C(=O)NCCC(=O)OCC(c1nnc2n1N=C(C2(Cl)Cl)C(C)(C)C)(C)C	PC-id_101196462	726.797	YEGRGIYWKWFOIS-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165651
CO/N=C(C1=C(SC(=N1)N)Cl)/C(=O)C[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C5N4CCN5CC6=C(C=C(C=C6)C(=N)CC7CC7)F)C(=O)O	PC-id_160409062	727.168	IMNFZVOKUINBKV-LRSXJRMBSA-O	00101010100011110001001010000000000000000000000000000000	25-01-165652
[Te]1C(=[N+](CCCS(=O)(=O)[O-])c2c1scc2)C=C1[Te]c2sccc2N1CCCS(=O)(=O)[O-]	PC-id_58996077	728.787	HJGXPJQCYJCWOK-UHFFFAOYSA-M	00000011100000000001000010000000000000000000000000000000	25-01-165653
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(CN1Cc2c(S1)ccs2)C(C)(C)C)C(=O)NC(CC1CCC1)C(=O)C(=O)NCC=C)C	PC-id_89043221	729.008	PHNLRBJGBLSENO-UHFFFAOYSA-N	00101010100000000001010010000000000000000000000000000000	25-01-165654
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1)ccs2)CC1CCC1	SCHEMBL13249152	729.008	PHNLRBJGBLSENO-WRPNVTCXSA-N	00101010100000000001010010000000000000000000000000000000	25-01-165655
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1F)C(=N)NC1CC1	SCHEMBL18939138	729.205	RTZVMRDAFVZSCI-BXAPNWMHSA-N	00101010100011110001001010000000000000000000000000000000	25-01-165656
c1cc(ccc1NC(=O)/N=C
/n2c(nc(c2O)C(C(=O)c2c(cc(cc2)O)O)c2c(n3/C(=N/C(=O)Nc4ccc(cc4)Cl)/N=Nc3n2)O)N=N1)Cl	PC-id_135455060	729.446	KSHKCBJAZRRXBU-RIGUPBQNSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165657
c1cc(ccc1NC(=O)N=C1N=Nc2nc(c(n12)O)C(c1c(n2c(n1)N=NC2=NC(=O)Nc1ccc(cc1)Cl)O)C(=O)c1c(cc(cc1)O)O)Cl	PC-id_135519839	729.446	KSHKCBJAZRRXBU-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165658
n1c2N=C(C(C(=O)c3c(O)cc(O)cc3)C3=Nc4n(C3=O)c(NC(=O)Nc3ccc(Cl)cc3)nn4)C(=O)n2c(NC(=O)Nc2ccc(Cl)cc2)n1	MCULE-4361665649,PC-id_3499103,ZINC22_150650168,SPECS-id_AT-225/NB54718	729.446	WUSGARNUHKFMGT-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165659
CCCCCCC(Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C)OCNCC(c1nc2n(n1)N=C(/C/2=N/c1ccc(cc1C)N(CCO)CC)C)C	SCHEMBL14364399	730.037	VHEBJCXQAGSUHK-UCJQHMLASA-N	00000011100000110001000010000000000000000000000000000000	25-01-165660
CCCCCCC(OCNCC(C)c1nn2c(n1)C(=Nc1c(cc(cc1)N(CC)CCO)C)C(=N2)C)Oc1c(cc(cc1)C(C)(C)CC)C(C)(C)CC	PC-id_89316242	730.037	VHEBJCXQAGSUHK-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165661
CO/N=C(C1=C(SC(=N1)N)Cl)/C(=O)C[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C5N4CCN5CC6=CC(=CS6)C(=N)N7CCCC7)C(=O)O	PC-id_161825421	730.145	SVTAJNIAIPNUCU-YIDKTALNSA-O	00001010100111000001001010000000000000000000000000000000	25-01-165662
Clc1n2N=C(NC(=O)Nc3cc(NS(=O)(=O)CCCCCCCCCCCCCCCC)ccc3Cl)C(c2c(c1C(F)(F)F)C#N)C#N	PC-id_76118939	730.671	DVEZVICIWHTQPB-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165663
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(cc1NC(=O)N1CCOCC1)N1CCN(CC1)C)CN(C2(C)C)S(=O)(=O)c1cc(F)cc(c1)F	SCHEMBL1370571,PC-id_67008776	730.782	MSIJGJBCVWHLOK-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165664
[Te]1C(=[N+](CCCS(=O)(=O)O)c2c1scc2)C=C1[Te]c2sccc2N1CCCS(=O)(=O)O	PC-id_58996078	730.803	HJGXPJQCYJCWOK-UHFFFAOYSA-O	00000011100000000001000010000000000000000000000000000000	25-01-165665
CSCC[C@@H](C(=O)N[C@H]([C@H](C[C@H](C(=O)N[C@H](C(=O)NC(C)C)CC(C)C)C)O)CC(C)C)NC(=O)OCCn1nc(c2c1CS(=O)(=O)C2)C	PC-id_60096780,SCHEMBL8270712	730.979	JYGBDDOAVCZWDE-QYBBCTCVSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165666
S1(=O)(=O)Cc2n(nc(c2C1)C)CCOC(=O)NC(C(=O)NC(C(O)CC(C(=O)NC(CC(C)C)C(=O)NC(C)C)C)CC(C)C)CCSC	PC-id_72646805	730.979	JYGBDDOAVCZWDE-UHFFFAOYSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165667
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1=O)ccs2)N[C@H](C(=O)N1CCC([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CC1)C=C(C)C)C1CCCCC1	PC-id_143361630	730.981	BSDCESJHFLZCBG-JHJPFVGGSA-N	00100010100010000001000010000000000000000000000000000000	25-01-165668
CCCCC(c1n[nH]c2n1nc(c2/N=C
/C(=C(c2n1nc(n2)C(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)CC(C)C)C(C)(C)C)CC	SCHEMBL17590195	731.068	RQQALYNJFLUAFG-LWIPBWEKSA-N	00000011100010000001000110000000000000000000000000000000	25-01-165669
CCCCC(CC)c1nnc2n1N=C(/C/2=N/c1c(c(c2n1[nH]c(n2)C(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)CC(C)C)C(C)(C)C	PC-id_136937265	731.068	FAJUSLWLECCPBU-AZGQYSNXSA-N	00000011100010000001000110000000000000000000000000000000	25-01-165670
CCCCC(CC)c1nnc2n1N=C(C2=Nc1c(c(c2n1[nH]c(n2)C(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)CC(C)C)C(C)(C)C	PC-id_137117458	731.068	FAJUSLWLECCPBU-UHFFFAOYSA-N	00000011100010000001000110000000000000000000000000000000	25-01-165671
CC(C#Cc1nc(c(cc1)c1cc(c(cc1)F)C(=O)N)[C@H](Cc1cc(cc(c1)F)F)NC(=O)Cn1c2c(C[C@@](C2(F)F)(C)C=C)c(n1)C(F)(F)F)O	PC-id_163883477	731.214	PVHZTXVHZKXBEJ-XXFCDSOLSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165672
CC(C)(C#CC1=NC(=C(C=C1)C2=CC(=C(C=C2)F)C(=O)N)[C@H](CC3=CC(=CC(=C3)F)F)NC(=O)CN4C5=C(C[C@H](C5(F)F)C=C)C(=N4)C(F)(F)F)O	PC-id_153012031	731.214	VAFYQHMVEQDEHM-NGOKVRLYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165673
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1scc(c1)C(=N)N1CCCC1	PC-id_140790687	731.268	RAOISNMROIEHCV-XLFYHGIPSA-N	00001010100111000001001010000000000000000000000000000000	25-01-165674
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1scc(c1)C=NN1CCCC1	PC-id_141529894	731.268	QUOGQOFXZWMJPD-WTDGKIJNSA-N	00001010100111000001001010000000000000000000000000000000	25-01-165675
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)N[C@H](CN4CC5=C(S4(=O)=O)C=CS5)C(C)(C)C)C(=O)CC(CC6CC6)C(=O)C(=O)N)C	PC-id_161215397	731.339	UWUFZGJLWQVHLH-NNYWOVOCSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165676
OC(=O)CNC(=O)[C@@H](NC(=O)CC[C@@H](C(=O)O)N)CSCc1ccn2c1[C@H](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC2	PC-id_101080498	731.795	WEVTVNAFGLGSAC-VPAKFMSCSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165677
CC(=O)OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1cccc(c1)NC(=O)c1cccc(c1)NCc1cn2c(n1)SCC2)O	PC-id_66845630,SCHEMBL926209	731.901	BWVBMTNFELHHFF-QNGWXLTQSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165678
S1CCn2c1nc(c2)CNc1cc(ccc1)C(=O)Nc1cc(COCCOCCCCCCNCC(O)c2cc(c(O)cc2)COC(=O)C)ccc1	PC-id_77195873	731.901	BWVBMTNFELHHFF-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165679
O=C(N[C@@H](C(C)(C)C)CN1Cc2c([SH+]1=O)ccs2)N[C@H](C(=O)N1CCC([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CC1)C=C(C)C)C1CCCCC1	PC-id_143361629	731.989	BSDCESJHFLZCBG-JHJPFVGGSA-O	00100010100010000001000010000000000000000000000000000000	25-01-165680
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1scc(c1)C(=N)N1CCCC1	PC-id_140790688	732.276	RAOISNMROIEHCV-XLFYHGIPSA-O	00001010100111000001001010000000000000000000000000000000	25-01-165681
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1scc(c1)C=NN1CCCC1	PC-id_141529895	732.276	QUOGQOFXZWMJPD-WTDGKIJNSA-O	00001010100111000001001010000000000000000000000000000000	25-01-165682
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/2C(=Nn3nc(nc23)COc2ccc(NS(=O)(=O)C)cc2)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_21032567	732.768	IHVKOXKYXRVPEH-JJKYIXSRSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165683
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/C(=Nn3nc(nc23)COc2ccc(NS(=O)(=O)C)cc2)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_58650655	732.768	IHVKOXKYXRVPEH-WMMMYUQOSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165684
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2C(=Nn3nc(nc23)COc2ccc(NS(=O)(=O)C)cc2)C(C)(C)C)C#N)C)cc(S(=O)(=O)O)cc1	PC-id_73735474	732.768	IHVKOXKYXRVPEH-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165685
S(=O)(=O)(O)c1c(n2nc(c(c2N/N=C/c3n(N=C2C(C)(C)C)c(nn3)C(C(NC(=O)CCC(=O)O)(C)C)(C)C)C)C#N)cc(S(=O)(=O)O)cc1	PC-id_21032588	732.788	CVWOVMBOSWWJHV-WEMUVCOSSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165686
S(=O)(=O)(O)c1c(n2nc(c(c2NN=C2c3n(N=C2C(C)(C)C)c(nn3)C(C(NC(=O)CCC(=O)O)(C)C)(C)C)C)C#N)cc(S(=O)(=O)O)cc1	PC-id_73735491	732.788	CVWOVMBOSWWJHV-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165687
C(=O)(NC(CC1CCC1)C(=O)C(=O)N)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@@H](NC(=O)NC1(CN2Cc3c(S2(=O)=O)ccs3)CCCCC1)C(C)(C)C	864945-15-3,SCHEMBL10229064,PC-id_58799924	732.953	BHXFLFCCUIYDGS-UOKIILPJSA-N	00101010100010000001010010000000000000000000000000000000	25-01-165688
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CC1)C2(C)C)C1CCCCC1	SCHEMBL10278124,PC-id_58799824	732.953	PZTGDZWJXHPUAO-AIQHKVNTSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165689
S1(=O)(=O)N(CC2(NC(=O)NC(C(=O)N3C(C4C(C4C3)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_73071026	732.953	BHXFLFCCUIYDGS-UHFFFAOYSA-N	00101010100010000001010010000000000000000000000000000000	25-01-165690
S1(=O)(=O)N(CC2(NC(=O)N[C@H](C(=O)N3C([C@H]4C([C@H]4C3)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_11714682	732.953	BHXFLFCCUIYDGS-CYLVWADBSA-N	00101010100010000001010010000000000000000000000000000000	25-01-165691
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CC2CC2)C(=O)C(=O)N)C2CCCCC2)C(C)(C)C)Cc2sccc12	PC-id_72427808	732.953	PZTGDZWJXHPUAO-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165692
Clc1c(NC(=O)C(Oc2cc(ccc2)C(=O)NCCc2nc3n(n2)N=C(Oc2cc(cc(c2)C(=O)O)C(O)O)C3=O)C(=O)C(C)(C)C)cc(cc1)C	PC-id_20717522	733.124	JWHHPOKXYRANBW-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165693
CCCC(C(=O)C(=O)C)NC(=O)[C@@H]1C(C=C)[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2)C(C)C	PC-id_143351551	733.981	FZZLORLNMFRGBM-QSYDLTIDSA-N	00000010100010000001000010000000000000000000000000000000	25-01-165694
C[C@H]1[C@H](C(c2c1c(nn2CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1nc(ncc1c1cc(c(cc1)F)C(=O)N)C#CC(C)(C)O)C(F)(F)F)(F)F)C	PC-id_134443761,SCHEMBL20078952	734.638	VTGNSZVRHWJGQQ-QLODZENZSA-N	00000010100000110001100010000000000000000000000000000000	25-01-165695
CCCCC(C(=O)C(=O)N)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C1CCCCC1)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL10278086,PC-id_58799869	734.969	MIFPSEKBJBVAML-AIQHKVNTSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165696
CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C	SCHEMBL10228826,CHEMBL504045,PC-id_25190674,BindingDB-id_49648,BindingDB_PC-id_25190674	734.969	XRUFCCPNNXOMGW-YEMQHKNJSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165697
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1[C@@H](C)[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C)CC1CC1	PC-id_70322572,SCHEMBL8257837	734.969	PCXYPBJVAMASGO-HBHORCOLSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165698
CNC(=O)C(=O)C(NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(=C)C)CC1CCC1	PC-id_143355569	734.969	DTLQOZRVVAESPU-NCLHMAMMSA-N	00001010100000000001000010000000000000000000000000000000	25-01-165699
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)N[C@H](C(=O)N1CC[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CC1)C(C)C)C1CCCCC1	PC-id_143354575	734.969	JGCIIPIMCDGVEE-AKTKSMQWSA-N	00100010100010000001000010000000000000000000000000000000	25-01-165700
S1(=O)(=O)N(C[C@@H](NC(=O)N[C@H](C(=O)N2C([C@H]3C([C@H]3C2)(C)C)C(=O)NC(CCC)C(=O)C(=O)NCC=C)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_11700491	734.969	XRUFCCPNNXOMGW-GKEQSPSASA-N	00100010100000000001010010000000000000000000000000000000	25-01-165701
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CCCC)C(=O)C(=O)N)C2CCCCC2)C(C)(C)C)Cc2sccc12	PC-id_72427831	734.969	MIFPSEKBJBVAML-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165702
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CCC)C(=O)C(=O)NCC=C)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_73066495	734.969	XRUFCCPNNXOMGW-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165703
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C(C(C2)C)C)C(=O)NC(CC2CC2)C(=O)C(=O)NCC=C)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_77822866	734.969	PCXYPBJVAMASGO-UHFFFAOYSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165704
O=C(N(C1CCCCC1)CC(=O)N(CCCOCC)CC(=O)N)CNC(C(c1n2N=C(C(C)(C)C)/C(=N/c3ccc(N(C)C)cc3)/c2nn1)(C)C)(C)C	PC-id_20870781	734.974	QUMGATPWEHUAAW-MMPYPBTGSA-N	00000011100010110001000010000000000000000000000000000000	25-01-165705
O=C(N(CCCCCC)CC(=O)N(CCCCCC)CC(=O)N)CNC(C(c1n2N=C(C(C)(C)C)/C(=N/c3ccc(N(C)C)cc3)/c2nn1)(C)C)(C)C	PC-id_20870784	735.017	WTBUGOXAZQYUME-FCSWHQHPSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165706
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1cn(Cc2nn3c(c2C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(c4ccccc4)c2)CCC3)nn1	ZINC22_2325831686	735.317	NPPNMHZYRUEZFC-GGXMLBGGSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165707
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1cn(Cc2nn3c(c2C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(c4ccccc4)c2)CCC3)nn1	ZINC22_2325831687	735.317	NPPNMHZYRUEZFC-UDSGOZMLSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165708
CCCCCCOC(c1c(cc(cc1)C)C)C(=O)NCC(C)c1nn2c(n1)C(C(=N2)C)(N(c1c(cc(cc1)N(C)CCO)C)C(=O)N1CCCC1)Cl	PC-id_91009474	735.358	RSKOFKYUSSVCPF-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165709
CCCCCCCCCCCCC(C(=O)OCCCN1C(C)Nc2n1ncc2NC(=O)C(F)(F)F)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	SCHEMBL10832046,PC-id_136153497	735.962	GOAPDICNBXMAEM-UHFFFAOYSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165710
CCCCN(c1ccc(cc1)N=C1C(=Nn2c1nc(n2)C(CNC(=O)CCC(=O)OCCCCCCCCCCCCCC)C)C)CCC(=O)OCC	PC-id_140431486	735.999	VGUXQLALKRWMRE-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165711
CC1Cc2c(C1(F)F)n(nc2C(F)(F)F)CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(ccc(n1)C#CC(C)(C)O)c1cc(c(cc1)Cl)C(=O)N	PC-id_134443820	736.078	IMJQWTFRLCAOGG-LYTHVRBOSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165712
O=C(Cn1nc(c2c1C(F)(F)[C@@H](C2)C)C(F)(F)F)N[C@H](c1nc(C#CC(O)(C)C)ccc1c1ccc(c(c1)C(=O)N)Cl)Cc1cc(F)cc(c1)F	SCHEMBL20079014	736.078	IMJQWTFRLCAOGG-CRYYWNKWSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165713
[Sn](C1([Sn](CCCC)(CCCC)CCCC)S(=O)(=O)Cc2c1coc2)(CCCC)(CCCC)CCCC	PC-id_15150118	736.247	TVKJJAHNAWOJQK-UHFFFAOYSA-N	00000010100000000000000010000000000000000000000000000000	25-01-165714
CCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN2CC3=C(S2(=O)=O)C=CS3)C(C)(C)C)C(C)C	PC-id_147637420	736.365	GGXRXLULWYOAAO-NCLHMAMMSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165715
S(=O)(=O)(O)c1c(C(=O)Nc2ccc(OCCCc3nc4n(N=C(C(C)(C)C)/C/4=N/Nc4n(ncc4[N+]#[C-])c4ccc(cc4)C(=O)O)n3)cc2)cccc1	PC-id_21032602	736.756	VQLDKIGPFFOKPL-MIDJFWNWSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165716
S(=O)(=O)(O)c1c(C(=O)Nc2ccc(OCCCc3nc4n(N=C(C(C)(C)C)C4=NNc4n(ncc4[N+]#[C-])c4ccc(cc4)C(=O)O)n3)cc2)cccc1	PC-id_58650668	736.756	VQLDKIGPFFOKPL-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165717
CCCCC(C(=O)C(=O)NCC)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	SCHEMBL8252883,PC-id_58799964	736.985	HDYXSSXZKFBMDM-YEMQHKNJSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165718
CNC(=O)C(=O)C(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(C)C)CC1CCC1	PC-id_143362387	736.985	PASWCWISMNWDTI-SYAHAHBTSA-N	00001010100000000001000010000000000000000000000000000000	25-01-165719
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CCCC)C(=O)C(=O)NCC)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_72427890	736.985	HDYXSSXZKFBMDM-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165720
S(=O)(=O)(NCCN(c1cc(c(/N=C/c3n(nc(n3)C(CNCOC(Oc3c(C(CC)(C)C)cc(C(CC)(C)C)cc3)C)C)N=C2C)cc1)C)CC)C	PC-id_58693436	737.01	JTNSNBJHXXDXHQ-CSOVRXNHSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165721
CC1Cc2c(C1(F)F)n(nc2C(F)(F)F)CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)c1c(ccc(n1)C#CC(C)(C)O)c1cc(c(c(c1)F)F)C(=O)N	PC-id_135267167	737.614	DROIUBGNIOPCBM-TZHIXCAUSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165722
Fc1cc(cc(c1)F)C[C@@H](c1nc(ccc1c1cc(F)c(c(c1)C(=O)N)F)C#CC(O)(C)C)NC(=O)Cn1nc(c2c1C(F)(F)[C@@H](C2)C)C(F)(F)F	SCHEMBL20430246	737.614	DROIUBGNIOPCBM-DXPJPUQTSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165723
CCCCC(C(=O)C(=O)NC)NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c([S+]1(=O)O)ccs2)C(C)C	PC-id_143356999	737.993	FVYFEEUJEAPEQF-VJYAJTFQSA-P	00000010100010000001000010000000000000000000000000000000	25-01-165724
CC1(c2c(CN1C(=O)Nc1c(cc(cc1Cl)OC(F)(F)F)Cl)c(nn2OC(=O)C(F)(F)F)NC(=O)c1ccc(cc1)N1CCN(CC1)C)C	SCHEMBL3485523,PC-id_87534286	738.465	FZFIKXRCDFEYCU-UHFFFAOYSA-N	00000010100010110001100010000000000000000000000000000000	25-01-165725
CCN(c1ccc(c(c1)C)/N=C/1c2nnc(n2N=C1C(C)(C)C)C(NC(=O)c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O)C)CCNS(=O)(=O)C	SCHEMBL14362194	738.855	QORAGKLWVAPQJC-TZHWMEPESA-N	00000011100000110001000010000000000000000000000000000000	25-01-165726
CCN(CCNS(=O)(=O)C)c1cc(c(cc1)N=C1C(=Nn2c1nnc2C(C)NC(=O)c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O)C(C)(C)C)C	PC-id_89315961	738.855	QORAGKLWVAPQJC-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165727
OOOSc1cc(cc(c1)S(=O)(=O)O)C(=O)NC(c1nnc2n1N=C(/C/2=N/c1ccc(cc1C)N(CCNS(=O)(=O)C)CC)C(C)(C)C)C	SCHEMBL14271648,PC-id_58776954	738.855	VYMLISJWGHZZQW-TZHWMEPESA-N	00000011100000110001000010000000000000000000000000000000	25-01-165728
CCCCC[C@H]1CN(CCCCC)C(CN1C(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(ncc1F)OCC(F)(F)F)(CCCCC)CCCCC	SCHEMBL3357849,PC-id_68611726	738.945	WUEXCCLDRBQABA-NDEPHWFRSA-N	00000010100010100001000010000000000000000000000000000000	25-01-165729
CCCCC(C(=O)C(=O)N)NC([C@@H]1[C@H](CCN1C(=O)[C@H](C1CCCCC1)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(C)C)O	PC-id_143361228	739.001	FBLIFFFUZJVAGF-ZZLADCMFSA-N	00000010100010000001000010000000000000000000000000000000	25-01-165730
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1)C(=N)N1CCCCC1	PC-id_140790892	739.267	PIQDOWREMMUVQF-BISCQVEZSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165731
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1)C=NN1CCCCC1	PC-id_141529874	739.267	WXHYIBOUHULBAV-SHEISKAHSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165732
Fc1cc(cc(c1)F)CC(c1nc(C#Cc2cncc(c2)C)ncc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F	PC-id_145080715	739.617	WHNWEVPJMFESJU-UHFFFAOYSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165733
Fc1cc(cc(c1)F)C[C@@H](c1nc(C#Cc2ccnc(c2)C)ncc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F	PC-id_145080596	739.617	ALJJDFSHZXUOSW-NDEPHWFRSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165734
Fc1cc(cc(c1)F)C[C@@H](c1nc(C#Cc2cncc(c2)C)ncc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F	PC-id_145080500	739.617	WHNWEVPJMFESJU-NDEPHWFRSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165735
O1C(CC2n3nnc(c3C(O)C2O)CCCCCCCCCCCC)CC(OCc2ccccc2)C(OCc2ccccc2)C1COCc1ccccc1	PC-id_76387408	739.982	LGDXCFRHUFKWDW-UHFFFAOYSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165736
O1[C@H](C[C@@H]2n3nnc(c3[C@@H](O)[C@H]2O)CCCCCCCCCCCC)C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1COCc1ccccc1	PC-id_56652823	739.982	LGDXCFRHUFKWDW-ARMINNDMSA-N	00000010100010110001000010000000000000000000000000000000	25-01-165737
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1ccc(cc1)C(=N)N1CCCCC1	PC-id_140790893	740.275	PIQDOWREMMUVQF-BISCQVEZSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165738
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1ccc(cc1)C=NN1CCCCC1	PC-id_141529875	740.275	WXHYIBOUHULBAV-SHEISKAHSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165739
COc1c(C=C2SC3=C(S2)SC(S3)[P+](OC)(OC)[O-])sc(c1OC)C=C1SC2=C(S1)SC(S2)[P+](OC)(OC)[O-]	PC-id_101443712	740.916	NVKIUOLMUAXBOR-UHFFFAOYSA-N	00000011100100000001000010000000000000000000000000000000	25-01-165740
CCCCCCN(c1cc(C)c(c(c1)C)N=C1C(=C(c2n1nc(n2)C(C)(C)C)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)C#N)CCCCCC	SCHEMBL16126760,PC-id_117614126	741.103	FVXSZNOQEFYCAY-UHFFFAOYSA-N	00000011100010110001000010000000000000000000000000000000	25-01-165741
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1)C(=NN1CCCC1)O	SCHEMBL18939192	741.24	KOZKKPSZUPVEHU-JUVCPUDDSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165742
CO/N=C(C1=C(SC(=N1)N)Cl)/C(=O)C[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C5N4CCN5CC6=C(C=C(C=C6)C(=N)N7CCCC7)F)C(=O)O	PC-id_160409064	742.179	PZZXAKRFMNPPSB-UAUPZVQESA-O	00001010100011110001001010000000000000000000000000000000	25-01-165743
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1F)C(=N)N1CCCC1	PC-id_140790741	743.231	ABNGHQUHVILPMW-SCSPQGSKSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165744
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1ccc(cc1F)C=NN1CCCC1	PC-id_141529920	743.231	NSVNRFQLTURXLK-ZEVZKTKFSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165745
CO/N=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1c(F)cc(cc1Cl)C(=N)N1CCCC1)/c1csc(n1)N	PC-id_140790724	743.231	USALBSUMXYNWFX-GYSUKDMHSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165746
CO/N=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1c(F)cc(cc1Cl)C=NN1CCCC1)/c1csc(n1)N	PC-id_141529878	743.231	WUINLOASKMZIMW-BMEVPLPSSA-N	00001010100011110001001010000000000000000000000000000000	25-01-165747
S(=O)(Oc1cc(C(CC(C)(C)C)(C)C)ccc1OCCC)NCCc1nc2n(n1)N=C(C2=Nc1c(S(=O)(=O)C)cc(N2CCSCC2)cc1)C	PC-id_20725931	744.002	CNUASSDRCOZPMB-UHFFFAOYSA-N	00000011100010110001100010000000000000000000000000000000	25-01-165748
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1ccc(cc1F)C(=N)N1CCCC1	PC-id_140790742	744.239	ABNGHQUHVILPMW-SCSPQGSKSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165749
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1ccc(cc1F)C=NN1CCCC1	PC-id_141529921	744.239	NSVNRFQLTURXLK-ZEVZKTKFSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165750
CO/N=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1c(F)cc(cc1Cl)C(=N)N1CCCC1)/c1csc(n1)N	PC-id_140790725	744.239	USALBSUMXYNWFX-GYSUKDMHSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165751
CO/N=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc2n1CCN2Cc1c(F)cc(cc1Cl)C=NN1CCCC1)/c1csc(n1)N	PC-id_141529879	744.239	WUINLOASKMZIMW-BMEVPLPSSA-O	00001010100011110001001010000000000000000000000000000000	25-01-165752
Brc1c(OCc2cc(ccc2OC)/C=N/NC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(Br)cc(Br)c1	PC-id_19659915	744.246	KOTBHFIVWBTOJV-KNBZMSCYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165753
Brc1c(OCc2cc(ccc2OC)C=NNC(=O)C(=O)Nc2sc3c(CCC3)c2C(=O)OC)c(Br)cc(Br)c1	PC-id_73634384	744.246	KOTBHFIVWBTOJV-UHFFFAOYSA-N	00000010100000110000000010000000000000000000000000000000	25-01-165754
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(CN1Cc2c(S1(=O)=O)ccs2)C(C)(C)C)C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C	PC-id_88270125	744.964	FCNOSRQOLAPRLG-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165755
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@]1(CCC=CC1)CN1Cc2c(S1(=O)=O)ccs2)CC)CC1CC1	PC-id_143315281	744.964	DXQVFCQYQBNHOB-IYCYHVJWSA-N	00100010100011000001000010000000000000000000000000000000	25-01-165756
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2C1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CCC#C	SCHEMBL8249577	744.964	FCNOSRQOLAPRLG-NQAXVIONSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165757
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CCC#C	SCHEMBL10228934,PC-id_58799941	744.964	FCNOSRQOLAPRLG-SNVAORGVSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165758
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C1CCCCC1)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1=O)ccs2)CCC	PC-id_117742397,SCHEMBL16297866	745.007	FJGAGSMJPJJJST-DIBFELQTSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165759
Fc1cc(cc(c1)F)CC(c1nc(ccc1c1ccc(c(c1)C(=O)N)F)C#CC1(O)CCCCC1)NC(=O)Cn1nc(c2c1C(F)(F)CC2)C(F)(F)F	PC-id_145080438	745.661	QDZSIHPVKUEBKY-UHFFFAOYSA-N	00000010100010111001100010000000000000000000000000000000	25-01-165760
O=C(Cn1nc(c2c1C(F)(F)C[C@@H]2C)C(F)(F)F)N[C@H](c1nc(C#CC2(O)CCCC2)ccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	PC-id_145080636	745.661	KMGHYRUVLUWRQE-VKGTZQKMSA-N	00000010100000111001100010000000000000000000000000000000	25-01-165761
CCCC(C1(CO1)NS(=O)(=O)OC1(CC1)C)Nc1c2CCCn2c(c1)CNC(O)OCC1(CCCC1)CCCCc1c(c(ccc1)CNC(C)O)C	PC-id_91291306	746.012	ZASJNAZCRQIMDC-UHFFFAOYSA-N	00100010100000110000000010000000000000000000000000000000	25-01-165762
CC(C)[C@H]1CCN([C@@H]1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN2CC3=C(S2(=O)=O)C=CS3)C(C)(C)C	PC-id_146688359	746.35	PYPKMAHHKDQUBJ-QFFUZQPZSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165763
CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CN3Cc4sccc4S3(=O)=O)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C	BindingDB_PC-id_25190675,BindingDB-id_49649,PC-id_25190675,CHEMBL445763,SCHEMBL10229042	746.98	BRWWRPFGYYKYBS-ZNODFMHASA-N	00100010100010000001010010000000000000000000000000000000	25-01-165764
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)C(C)C)CCC#C	PC-id_143352871	746.98	UMDJHEHFAOSAOH-QZRLORSFSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165765
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CC1CC1	SCHEMBL8250966,PC-id_70319718	746.98	MJQYZTZUMIJNTI-ZKDAUIRQSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165766
C=CCNC(=O)C(=O)C(NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)CC1CC1	PC-id_58799630,SCHEMBL8250473	746.98	MJQYZTZUMIJNTI-SNVAORGVSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165767
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)N[C@H](C(=O)N1C[C@H]2C([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C)C1CCCCC1	PC-id_117742737,SCHEMBL16298214	746.98	AVWXWJFIEDOBNC-LQYOECKVSA-N	00101010100010000001010010000000000000000000000000000000	25-01-165768
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C)C1CCCCC1	SCHEMBL10278128,PC-id_58799943	746.98	AVWXWJFIEDOBNC-STDCQBDPSA-N	00101010100010000001010010000000000000000000000000000000	25-01-165769
S1(=O)(=O)N(CC2(NC(=O)NC(C(=O)N3C(C4C(C4C3)(C)C)C(=O)NC(CCC)C(=O)C(=O)NCC=C)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_72995627	746.98	BRWWRPFGYYKYBS-UHFFFAOYSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165770
S1(=O)(=O)N(CC2(NC(=O)N[C@H](C(=O)N3C([C@H]4C([C@H]4C3)(C)C)C(=O)NC(CCC)C(=O)C(=O)NCC=C)C(C)(C)C)CCCCC2)Cc2sccc12	PC-id_11527829	746.98	BRWWRPFGYYKYBS-HSRCYRRLSA-N	00100010100010000001010010000000000000000000000000000000	25-01-165771
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CC2CC2)C(=O)C(=O)NCC=C)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_72427708	746.98	MJQYZTZUMIJNTI-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165772
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CC2CCC2)C(=O)C(=O)N)C2CCCCC2)C(C)(C)C)Cc2sccc12	PC-id_72427876	746.98	AVWXWJFIEDOBNC-UHFFFAOYSA-N	00101010100010000001010010000000000000000000000000000000	25-01-165773
CCCCC(C(=O)C(=O)NCC=C)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=C)=O)ccs2	PC-id_143100671	747.023	RHIYVPUGTXXCRD-NGQBJGFXSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165774
O=C(N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)C)ccs2)N[C@H](C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C)C1CCCCC1	SCHEMBL16298031	747.023	HWVTYQGXXNXAQE-IKTWOKOVSA-N	00101010100010000001010010000000000000000000000000000000	25-01-165775
CO/N=C(/c1nc(sc1Cl)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc2n1CCN2Cc1scc(c1)C(=NN1CCCC1)O	SCHEMBL18939151	747.268	ABCTYNRELKMIMV-VSEDMQOFSA-N	00001010100111000001001010000000000000000000000000000000	25-01-165776
S(=O)(=O)(c1c(n(nc1)c1c(S(=O)(=O)O)ccc(S(=O)(=O)O)c1)N/N=C
/C(=Nn2nc(nc12)Cc1ccc(NC(=O)C(=O)[NH])cc1)C(C)(C)C)C	PC-id_58650671	747.759	SQPVOBRVIUCONN-QXPFVDMISA-N	00000011100000110001100010000000000000000000000000000000	25-01-165777
S(=O)(=O)(c1c(n(nc1)c1c(S(=O)(=O)O)ccc(S(=O)(=O)O)c1)NN=C1C(=Nn2nc(nc12)Cc1ccc(NC(=O)C(=O)[NH])cc1)C(C)(C)C)C	PC-id_72382634	747.759	SQPVOBRVIUCONN-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165778
CC1C2C(C(=O)N2C(=C1SC1CC(N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])CN1CCc2nccn12)C(=O)OCc1ccc(cc1)[N+](=O)[O-])C(C)O	PC-id_88466685	747.774	LQGTWNZJTUBREY-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-165779
O=C(N1C[C@H](C[C@H]1CN1CCc2n1ccn2)SC1=C(C(=O)OCc2ccc(cc2)[N+](=O)[O-])N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9461290	747.774	LQGTWNZJTUBREY-BNLXNNPZSA-N	00001011100000110001001010000000000000000000000000000000	25-01-165780
O=C(N1C[C@H](C[C@H]1CN1CCn2c1ccn2)SC1=C(C(=O)OCc2ccc(cc2)[N+](=O)[O-])N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)OCc1ccc(cc1)[N+](=O)[O-]	SCHEMBL9461289,PC-id_57104556	747.774	ZCYNPNDTEBCIDI-BNLXNNPZSA-N	00001011100000110001001010000000000000000000000000000000	25-01-165781
S(C1=C(N2C(C(C2=O)C(O)C)C1C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CC(N(C1)C(=O)OCc1ccc([N+](=O)[O-])cc1)CN1CCn2nccc12	PC-id_76480522	747.774	ZCYNPNDTEBCIDI-UHFFFAOYSA-N	00001011100000110001001010000000000000000000000000000000	25-01-165782
OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1cccc(c1)NC(=O)c1cccc(c1OC(=O)C)NCc1cn2c(n1)SCC2)O	PC-id_140490772	747.9	OKUNRVZFEXRQRE-BHVANESWSA-N	00000010100000110001000010000000000000000000000000000000	25-01-165783
CC(C)[C@H]1CCN([C@@H]1C(=O)NC(CC2CC2)C(=O)C(=O)NCC=C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN3CC4=C(S3(=O)=O)C=CS4)C(C)(C)C	PC-id_152923435	748.365	UJNUIUKBCSOHCI-QFFUZQPZSA-N	00100010100000000001000010000000000000000000000000000000	25-01-165784
S(=O)(=O)(c1c(n(nc1)c1c(S(=O)(=O)O)ccc(S(=O)(=O)O)c1)N/N=C
/C(=Nn2nc(nc12)Cc1ccc(NC(=O)C(=O)N)cc1)C(C)(C)C)C	PC-id_21032578	748.767	WGPYGKDSOCDGAI-QXPFVDMISA-N	00000011100000110001100010000000000000000000000000000000	25-01-165785
S(=O)(=O)(c1c(n(nc1)c1c(S(=O)(=O)O)ccc(S(=O)(=O)O)c1)NN=C1C(=Nn2nc(nc12)Cc1ccc(NC(=O)C(=O)N)cc1)C(C)(C)C)C	PC-id_73735485	748.767	WGPYGKDSOCDGAI-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165786
CCCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C1(C)CCCCC1)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_70319876,SCHEMBL8251358	748.996	HFPLBTLMAWTYEC-AVRRPWMBSA-N	00000010100010000001000010000000000000000000000000000000	25-01-165787
CCCCC(C(=O)C(=O)NCC=C)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_58799766,SCHEMBL8281987	748.996	BMIGGGXYBRUZPM-SNVAORGVSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165788
CCCCC(C(=O)C(=O)NCC)NC(=O)[C@H]1N(CC2=CC([C@H]12)(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=O)=O)ccs2	PC-id_143355792	748.996	LKXRGBAUEGCNKE-UXESMWSKSA-N	00001110100000000001001010000000000000000000000000000000	25-01-165789
C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2)C(C)C)CCC	PC-id_143100946	748.996	GQNOFMWXYSQEBS-YQBKXRQESA-N	00000010100010000001000010000000000000000000000000000000	25-01-165790
CNC(=O)C(=O)C(NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CN1Cc2c(S1(=O)=O)ccs2)C(C)C)CC1CCC1	PC-id_143361519	748.996	ZIYONCYVYMYHOB-HNZLYRDHSA-N	00001010100010000001000010000000000000000000000000000000	25-01-165791
S1(=O)(=O)N(C[C@@H](NC(=O)N[C@H](C(=O)N2C([C@H]3C([C@H]3C2)(C)C)C(=O)NC(CCCC)C(=O)C(=O)NCC=C)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_11571319	748.996	BMIGGGXYBRUZPM-JULROCEUSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165792
S1(=O)(=O)N(CC(NC(=O)NC(C2(CCCCC2)C)C(=O)N2C(CCC2)C(=O)NC(CCCC)C(=O)C(=O)NCC=C)C(C)(C)C)Cc2sccc12	PC-id_77821485	748.996	HFPLBTLMAWTYEC-UHFFFAOYSA-N	00000010100010000001000010000000000000000000000000000000	25-01-165793
S1(=O)(=O)N(CC(NC(=O)NC(C(=O)N2C(C3C(C3C2)(C)C)C(=O)NC(CCCC)C(=O)C(=O)NCC=C)C(C)(C)C)C(C)(C)C)Cc2sccc12	PC-id_73015211	748.996	BMIGGGXYBRUZPM-UHFFFAOYSA-N	00100010100000000001010010000000000000000000000000000000	25-01-165794
O=C(N(CC1CCCCC1)CC(=O)N(CCCOCC)CC(=O)N)CNC(C(c1n2N=C(C(C)(C)C)/C(=N/c3ccc(N(C)C)cc3)/c2nn1)(C)C)(C)C	PC-id_23558541	749.001	HDPRKRMBGWOEQS-FCSWHQHPSA-N	00000011100010110001000010000000000000000000000000000000	25-01-165795
CCCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C(C)(C)C)CN1Cc2c(S1(=C)=O)ccs2)C(C)C	PC-id_143353080	749.039	PFZHXXVNTDLFIR-HLSVWEPLSA-N	00000010100000000001000010000000000000000000000000000000	25-01-165796
S(=O)(=O)(c1c(n(nc1)c1c(S(=O)(=O)O)ccc(S(=O)(=O)O)c1)N/N=C
/C(=Nn2nc(nc12)Cc1ccc(NC(=O)C(=O)O)cc1)C(C)(C)C)C	PC-id_21026771	749.752	GJQRGVQNVHPNTE-YQYKVWLJSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165797
S(=O)(=O)(c1c(n(nc1)c1c(S(=O)(=O)O)ccc(S(=O)(=O)O)c1)NN=C1C(=Nn2nc(nc12)Cc1ccc(NC(=O)C(=O)O)cc1)C(C)(C)C)C	PC-id_73734486	749.752	GJQRGVQNVHPNTE-UHFFFAOYSA-N	00000011100000110001100010000000000000000000000000000000	25-01-165798
OCCN(c1ccc(c(c1)C)/N=C
/C(=Nn2c1nnc2CCCc1ccc(cc1)NC(=O)C(Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O)C)C)CC	SCHEMBL14364419	749.878	LABFVEYHBBYVRD-CWAJCWQHSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165799
S(=O)(=O)(c1ccc(OC(C(=O)Nc2ccc(CCCc3n4N=C(C(=Nc5c(cc(N(CCO)CC)cc5)C)c4nn3)C)cc2)C)cc1)c1ccc(O)cc1	PC-id_58693414	749.878	LABFVEYHBBYVRD-UHFFFAOYSA-N	00000011100000110001000010000000000000000000000000000000	25-01-165800